smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCCCC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001095037778 912236458 /nfs/dbraw/zinc/23/64/58/912236458.db2.gz ORPIJGIHPTUWHS-CYBMUJFWSA-N 1 2 272.352 1.601 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001120709314 912383207 /nfs/dbraw/zinc/38/32/07/912383207.db2.gz PKFXPYJWVXCMTE-HNNXBMFYSA-N 1 2 296.411 1.292 20 30 CDEDLO CCC(C#N)(CC)[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173750339 912786848 /nfs/dbraw/zinc/78/68/48/912786848.db2.gz NJXVFHIYTCPFQX-RYUDHWBXSA-N 1 2 262.361 1.829 20 30 CDEDLO Nc1ccccc1C(NO)=[NH+]c1cnn(CC2CC2)c1 ZINC001174469794 913180786 /nfs/dbraw/zinc/18/07/86/913180786.db2.gz OREISNJTWOXBLG-UHFFFAOYSA-N 1 2 271.324 1.932 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnccn1 ZINC001567324812 1168679906 /nfs/dbraw/zinc/67/99/06/1168679906.db2.gz CRDHKXASIKZNMM-UHFFFAOYSA-N 1 2 268.748 1.281 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnccn1 ZINC001567324812 1168679909 /nfs/dbraw/zinc/67/99/09/1168679909.db2.gz CRDHKXASIKZNMM-UHFFFAOYSA-N 1 2 268.748 1.281 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2occc2C(C)C)[C@@H](O)C1 ZINC001083722695 913641309 /nfs/dbraw/zinc/64/13/09/913641309.db2.gz CXILPRUSFWGPMT-KGLIPLIRSA-N 1 2 290.363 1.201 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2occc2C(C)C)[C@@H](O)C1 ZINC001083722695 913641316 /nfs/dbraw/zinc/64/13/16/913641316.db2.gz CXILPRUSFWGPMT-KGLIPLIRSA-N 1 2 290.363 1.201 20 30 CDEDLO C[C@H](CNc1ccc(C#N)cn1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001104604650 898781187 /nfs/dbraw/zinc/78/11/87/898781187.db2.gz SCPHLAIWXZIISG-GFCCVEGCSA-N 1 2 298.350 1.109 20 30 CDEDLO C[C@@H](CNc1ccc(C#N)nc1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001104602150 898781408 /nfs/dbraw/zinc/78/14/08/898781408.db2.gz CUFVOBWYIMLDDP-LBPRGKRZSA-N 1 2 298.350 1.109 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CCCCCC)[C@@H](O)C1 ZINC001220588240 899558827 /nfs/dbraw/zinc/55/88/27/899558827.db2.gz AABMCQDZWQXQMV-ZNMIVQPWSA-N 1 2 280.412 1.387 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CCCCCC)[C@@H](O)C1 ZINC001220588240 899558838 /nfs/dbraw/zinc/55/88/38/899558838.db2.gz AABMCQDZWQXQMV-ZNMIVQPWSA-N 1 2 280.412 1.387 20 30 CDEDLO C#Cc1ccc(N2CCN(c3cccc[nH+]3)CC2)nc1 ZINC001354053499 900253372 /nfs/dbraw/zinc/25/33/72/900253372.db2.gz QBXOEWKTJBRNHF-UHFFFAOYSA-N 1 2 264.332 1.785 20 30 CDEDLO Cc1nc(N(C)CCN(C)C(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001105357285 901350338 /nfs/dbraw/zinc/35/03/38/901350338.db2.gz FPIBVGWWAUVKGF-UHFFFAOYSA-N 1 2 298.350 1.193 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3c(c2)OCCO3)C1 ZINC001031381159 914586030 /nfs/dbraw/zinc/58/60/30/914586030.db2.gz FHXSIFGERSVVRO-UHFFFAOYSA-N 1 2 288.347 1.448 20 30 CDEDLO N#Cc1cc(F)cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC001139873568 902105032 /nfs/dbraw/zinc/10/50/32/902105032.db2.gz WNDGWYIAKZISAX-HNNXBMFYSA-N 1 2 275.327 1.214 20 30 CDEDLO N#Cc1cc(F)cc(C[N@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC001139873568 902105036 /nfs/dbraw/zinc/10/50/36/902105036.db2.gz WNDGWYIAKZISAX-HNNXBMFYSA-N 1 2 275.327 1.214 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001126366603 902371605 /nfs/dbraw/zinc/37/16/05/902371605.db2.gz XCZLKFKLVSIVQA-BXUZGUMPSA-N 1 2 281.356 1.077 20 30 CDEDLO CN(CC(=O)N[C@@H](C#N)c1ccccc1)c1cccc[nH+]1 ZINC001177408510 914664480 /nfs/dbraw/zinc/66/44/80/914664480.db2.gz JLAQMVYGUYFCEV-AWEZNQCLSA-N 1 2 280.331 1.899 20 30 CDEDLO CC(O)=C1C=CC(=O)C=C1O[C@H](C)C[N+](C)(C)C ZINC001225618967 903372962 /nfs/dbraw/zinc/37/29/62/903372962.db2.gz KKHLEJCERHYCIW-SNVBAGLBSA-O 1 2 252.334 1.953 20 30 CDEDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@H](C#N)Cc1cccs1 ZINC001270387776 904590246 /nfs/dbraw/zinc/59/02/46/904590246.db2.gz BTJFKFCFUJDLTH-SDDRHHMPSA-N 1 2 275.377 1.345 20 30 CDEDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@H](C#N)Cc1cccs1 ZINC001270387776 904590252 /nfs/dbraw/zinc/59/02/52/904590252.db2.gz BTJFKFCFUJDLTH-SDDRHHMPSA-N 1 2 275.377 1.345 20 30 CDEDLO N#C[C@@H]1CCC[C@H]([NH2+]Cc2nc(C(F)(F)F)n[nH]2)C1 ZINC001363728421 904684084 /nfs/dbraw/zinc/68/40/84/904684084.db2.gz DNEUEICMSVPKCF-SFYZADRCSA-N 1 2 273.262 1.995 20 30 CDEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCF)cc1 ZINC001029417392 905820649 /nfs/dbraw/zinc/82/06/49/905820649.db2.gz VGRVMUVNUXUQQP-IYBDPMFKSA-N 1 2 286.350 1.926 20 30 CDEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCF)cc1 ZINC001029417392 905820659 /nfs/dbraw/zinc/82/06/59/905820659.db2.gz VGRVMUVNUXUQQP-IYBDPMFKSA-N 1 2 286.350 1.926 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)n2)[C@H]1CC ZINC001087761219 905826374 /nfs/dbraw/zinc/82/63/74/905826374.db2.gz HAAUULXKILBQPA-CMPLNLGQSA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)n2)[C@H]1CC ZINC001087761219 905826388 /nfs/dbraw/zinc/82/63/88/905826388.db2.gz HAAUULXKILBQPA-CMPLNLGQSA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nonc2C)[C@H]1CC ZINC001087848818 905904165 /nfs/dbraw/zinc/90/41/65/905904165.db2.gz PZBXSKDXJNKPGQ-WDEREUQCSA-N 1 2 298.774 1.713 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nonc2C)[C@H]1CC ZINC001087848818 905904171 /nfs/dbraw/zinc/90/41/71/905904171.db2.gz PZBXSKDXJNKPGQ-WDEREUQCSA-N 1 2 298.774 1.713 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001128408691 921296032 /nfs/dbraw/zinc/29/60/32/921296032.db2.gz APUSICHJLJMCFU-SNVBAGLBSA-N 1 2 268.386 1.661 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1csnn1 ZINC001128404875 921296521 /nfs/dbraw/zinc/29/65/21/921296521.db2.gz HFHFCURAEBAMEY-UHFFFAOYSA-N 1 2 254.359 1.100 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N[C@H]3CCN(CC#N)[C@@H]3C)ccn12 ZINC001088567054 907975685 /nfs/dbraw/zinc/97/56/85/907975685.db2.gz SPSXTTLEGWNCJW-OCCSQVGLSA-N 1 2 297.362 1.359 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC001189280518 921396333 /nfs/dbraw/zinc/39/63/33/921396333.db2.gz UAOLOIOHYWDAMW-AWEZNQCLSA-N 1 2 276.384 1.419 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C)n2)C1 ZINC001189280518 921396344 /nfs/dbraw/zinc/39/63/44/921396344.db2.gz UAOLOIOHYWDAMW-AWEZNQCLSA-N 1 2 276.384 1.419 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C3CCC3)cc2)[C@@H](O)C1 ZINC001083506072 909503483 /nfs/dbraw/zinc/50/34/83/909503483.db2.gz OPMQFBFWIMPKQL-SJORKVTESA-N 1 2 298.386 1.362 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C3CCC3)cc2)[C@@H](O)C1 ZINC001083506072 909503501 /nfs/dbraw/zinc/50/35/01/909503501.db2.gz OPMQFBFWIMPKQL-SJORKVTESA-N 1 2 298.386 1.362 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2CCC)C1 ZINC001077356558 910282060 /nfs/dbraw/zinc/28/20/60/910282060.db2.gz BIUFHYNPVTYLGU-HZPDHXFCSA-N 1 2 286.375 1.047 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2CCC)C1 ZINC001077356558 910282074 /nfs/dbraw/zinc/28/20/74/910282074.db2.gz BIUFHYNPVTYLGU-HZPDHXFCSA-N 1 2 286.375 1.047 20 30 CDEDLO C#CCCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccon2)C1 ZINC001189743586 921626704 /nfs/dbraw/zinc/62/67/04/921626704.db2.gz HGIGOIVHMCOCJW-OAHLLOKOSA-N 1 2 289.379 1.901 20 30 CDEDLO C#CCCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccon2)C1 ZINC001189743586 921626709 /nfs/dbraw/zinc/62/67/09/921626709.db2.gz HGIGOIVHMCOCJW-OAHLLOKOSA-N 1 2 289.379 1.901 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1oncc1C ZINC001483402833 911064498 /nfs/dbraw/zinc/06/44/98/911064498.db2.gz UWKDSJSZMBWYBQ-JTQLQIEISA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1oncc1C ZINC001483402833 911064517 /nfs/dbraw/zinc/06/45/17/911064517.db2.gz UWKDSJSZMBWYBQ-JTQLQIEISA-N 1 2 271.748 1.786 20 30 CDEDLO COC(=O)[C@H]([NH3+])Cc1cn([C@H](C)CCCC#N)cn1 ZINC001172490401 911727482 /nfs/dbraw/zinc/72/74/82/911727482.db2.gz GIGMFYZLNHUASP-ZYHUDNBSSA-N 1 2 264.329 1.181 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2nccc2C)[C@H]1C ZINC001088890882 912205762 /nfs/dbraw/zinc/20/57/62/912205762.db2.gz QUWWISBLZLRSBB-OLZOCXBDSA-N 1 2 296.802 1.523 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2nccc2C)[C@H]1C ZINC001088890882 912205770 /nfs/dbraw/zinc/20/57/70/912205770.db2.gz QUWWISBLZLRSBB-OLZOCXBDSA-N 1 2 296.802 1.523 20 30 CDEDLO C=CCC[N@@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@H](OC)C1 ZINC001212306642 915844580 /nfs/dbraw/zinc/84/45/80/915844580.db2.gz KPKNCTRVJAFTED-OPRDCNLKSA-N 1 2 298.280 1.278 20 30 CDEDLO C=CCC[N@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@H](OC)C1 ZINC001212306642 915844590 /nfs/dbraw/zinc/84/45/90/915844590.db2.gz KPKNCTRVJAFTED-OPRDCNLKSA-N 1 2 298.280 1.278 20 30 CDEDLO C[C@@H](C#N)C(=O)Nc1ccnc(-c2cc(N)cc[nH+]2)c1 ZINC001179888346 916019770 /nfs/dbraw/zinc/01/97/70/916019770.db2.gz FYKKWEFPYRTRPT-VIFPVBQESA-N 1 2 267.292 1.824 20 30 CDEDLO C=CCCC(=O)NCC[NH2+]Cc1nc(C2CCC2)no1 ZINC001124640419 936327646 /nfs/dbraw/zinc/32/76/46/936327646.db2.gz GEAGNFCENLTFSL-UHFFFAOYSA-N 1 2 278.356 1.509 20 30 CDEDLO C=CCCC(=O)NCC[NH2+]Cc1nc(C2CCCC2)no1 ZINC001124636846 936327882 /nfs/dbraw/zinc/32/78/82/936327882.db2.gz XXSDHJCWJJIIIY-UHFFFAOYSA-N 1 2 292.383 1.899 20 30 CDEDLO Cn1c[nH+]c(CCNC(=O)CCc2cccc(C#N)c2)c1 ZINC001182343382 917796880 /nfs/dbraw/zinc/79/68/80/917796880.db2.gz FEPZOFCXRSWVDJ-UHFFFAOYSA-N 1 2 282.347 1.583 20 30 CDEDLO C=CCCC(=O)NC/C=C/CNc1cc[nH+]c(C)n1 ZINC001107076791 917982298 /nfs/dbraw/zinc/98/22/98/917982298.db2.gz HTMRXZLVQNDXJH-AATRIKPKSA-N 1 2 260.341 1.836 20 30 CDEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CC3CCC3)nn2)C1 ZINC001107153463 918218259 /nfs/dbraw/zinc/21/82/59/918218259.db2.gz FZEXJVIFARVIAX-UHFFFAOYSA-N 1 2 289.383 1.127 20 30 CDEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCCF)nn2)C1 ZINC001107196860 918257815 /nfs/dbraw/zinc/25/78/15/918257815.db2.gz UAKYTRINYSJBAN-UHFFFAOYSA-N 1 2 295.362 1.077 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2(c3ccccc3C#N)CC2)CC1 ZINC001183293073 918425797 /nfs/dbraw/zinc/42/57/97/918425797.db2.gz XXEWZUHRIUDSGG-UHFFFAOYSA-N 1 2 295.386 1.920 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001107725305 918691580 /nfs/dbraw/zinc/69/15/80/918691580.db2.gz BAPDYIVCCJKZDJ-GDBMZVCRSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001107725305 918691596 /nfs/dbraw/zinc/69/15/96/918691596.db2.gz BAPDYIVCCJKZDJ-GDBMZVCRSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCC[C@@H]2CO)CC1 ZINC001184170682 918900672 /nfs/dbraw/zinc/90/06/72/918900672.db2.gz XXAZNJVNWLIIPB-KGLIPLIRSA-N 1 2 266.385 1.115 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC1(F)F ZINC001050911540 936567158 /nfs/dbraw/zinc/56/71/58/936567158.db2.gz SXOXCHQISIWICE-GHMZBOCLSA-N 1 2 274.311 1.035 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC1(F)F ZINC001050911540 936567159 /nfs/dbraw/zinc/56/71/59/936567159.db2.gz SXOXCHQISIWICE-GHMZBOCLSA-N 1 2 274.311 1.035 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc3[nH]ccc3c2)C1 ZINC001043002351 919562012 /nfs/dbraw/zinc/56/20/12/919562012.db2.gz IMHLJYGVRCAQNE-UHFFFAOYSA-N 1 2 282.347 1.294 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(O)cc2C)CC1 ZINC001186179635 919912443 /nfs/dbraw/zinc/91/24/43/919912443.db2.gz AWEWTNUDRVYZRL-UHFFFAOYSA-N 1 2 260.337 1.644 20 30 CDEDLO Cc1cc(C)c(NC(=O)N2CC[C@](O)(CC#N)C2)c(C)[nH+]1 ZINC001413582381 936616861 /nfs/dbraw/zinc/61/68/61/936616861.db2.gz FLEYFDJWWSBBMF-OAHLLOKOSA-N 1 2 288.351 1.889 20 30 CDEDLO C=CCN1C[C@@]2(F)C[N@@H+](CCCCOC)C[C@@]2(F)C1=O ZINC001273525395 920148087 /nfs/dbraw/zinc/14/80/87/920148087.db2.gz IGCDRJKGKUTQEE-UONOGXRCSA-N 1 2 288.338 1.173 20 30 CDEDLO C=CCN1C[C@@]2(F)C[N@H+](CCCCOC)C[C@@]2(F)C1=O ZINC001273525395 920148091 /nfs/dbraw/zinc/14/80/91/920148091.db2.gz IGCDRJKGKUTQEE-UONOGXRCSA-N 1 2 288.338 1.173 20 30 CDEDLO C#CCCC[NH+]1CC2(C1)CN(C1CCCC1)C(=O)CO2 ZINC001273542119 920569959 /nfs/dbraw/zinc/56/99/59/920569959.db2.gz OWLPGJVJLFCCQX-UHFFFAOYSA-N 1 2 276.380 1.256 20 30 CDEDLO COCCOC1C[NH+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140119102 936680139 /nfs/dbraw/zinc/68/01/39/936680139.db2.gz PQPOITCHWXVCNS-UHFFFAOYSA-N 1 2 285.347 1.887 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCC[NH2+]Cc1cnsn1)OCC ZINC001128527837 921975209 /nfs/dbraw/zinc/97/52/09/921975209.db2.gz CSWYEWZVXAVYBK-GFCCVEGCSA-N 1 2 298.412 1.115 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cc[nH]c2)C1 ZINC001073615052 936728671 /nfs/dbraw/zinc/72/86/71/936728671.db2.gz GFASFFSPRMDUFF-ZDUSSCGKSA-N 1 2 297.786 1.588 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2cc[nH]c2)C1 ZINC001073615052 936728673 /nfs/dbraw/zinc/72/86/73/936728673.db2.gz GFASFFSPRMDUFF-ZDUSSCGKSA-N 1 2 297.786 1.588 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cncc(C#N)c2)C1=O ZINC001273606506 922162009 /nfs/dbraw/zinc/16/20/09/922162009.db2.gz XHPHLZYXUZRJFE-QGZVFWFLSA-N 1 2 294.358 1.153 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cncc(C#N)c2)C1=O ZINC001273606506 922162016 /nfs/dbraw/zinc/16/20/16/922162016.db2.gz XHPHLZYXUZRJFE-QGZVFWFLSA-N 1 2 294.358 1.153 20 30 CDEDLO C=CCC1(S(=O)(=O)N2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC001190805423 922220365 /nfs/dbraw/zinc/22/03/65/922220365.db2.gz KYAWJWOCICTMAX-GFCCVEGCSA-N 1 2 272.414 1.451 20 30 CDEDLO C=CCC1(S(=O)(=O)N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC001190805423 922220380 /nfs/dbraw/zinc/22/03/80/922220380.db2.gz KYAWJWOCICTMAX-GFCCVEGCSA-N 1 2 272.414 1.451 20 30 CDEDLO CCCCCCCNC(=O)N[C@H]1CC[N@@H+](C2COC2)C1 ZINC001191115413 922401852 /nfs/dbraw/zinc/40/18/52/922401852.db2.gz JTCJENHDYDTUJT-ZDUSSCGKSA-N 1 2 283.416 1.729 20 30 CDEDLO CCCCCCCNC(=O)N[C@H]1CC[N@H+](C2COC2)C1 ZINC001191115413 922401865 /nfs/dbraw/zinc/40/18/65/922401865.db2.gz JTCJENHDYDTUJT-ZDUSSCGKSA-N 1 2 283.416 1.729 20 30 CDEDLO Cc1ncc(C(=O)N(C(N)=[NH2+])c2ccccc2F)cc1C#N ZINC001192300143 922976188 /nfs/dbraw/zinc/97/61/88/922976188.db2.gz LNUOMHALTNRVFU-UHFFFAOYSA-N 1 2 297.293 1.941 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC(C)C)[C@H](O)C1 ZINC001099662971 936798462 /nfs/dbraw/zinc/79/84/62/936798462.db2.gz HIPRBYDOXZATBS-QWHCGFSZSA-N 1 2 288.819 1.727 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC(C)C)[C@H](O)C1 ZINC001099662971 936798463 /nfs/dbraw/zinc/79/84/63/936798463.db2.gz HIPRBYDOXZATBS-QWHCGFSZSA-N 1 2 288.819 1.727 20 30 CDEDLO CCN(C(=O)c1cnc(C)c(C#N)c1)C1C[NH+](C)C1 ZINC001192293990 922996887 /nfs/dbraw/zinc/99/68/87/922996887.db2.gz OTDFMPZLUMTHJH-UHFFFAOYSA-N 1 2 258.325 1.038 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)/C=C/C2CC2)[C@H](O)C1 ZINC001099766900 936807194 /nfs/dbraw/zinc/80/71/94/936807194.db2.gz RNWNWLGEPSLZQJ-QITAHTHBSA-N 1 2 284.787 1.257 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)/C=C/C2CC2)[C@H](O)C1 ZINC001099766900 936807195 /nfs/dbraw/zinc/80/71/95/936807195.db2.gz RNWNWLGEPSLZQJ-QITAHTHBSA-N 1 2 284.787 1.257 20 30 CDEDLO C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001193122034 923465646 /nfs/dbraw/zinc/46/56/46/923465646.db2.gz IGKIDFMGANBPQP-OPRDCNLKSA-N 1 2 298.280 1.014 20 30 CDEDLO C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001193122034 923465654 /nfs/dbraw/zinc/46/56/54/923465654.db2.gz IGKIDFMGANBPQP-OPRDCNLKSA-N 1 2 298.280 1.014 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C)CC2)[C@H](O)C1 ZINC001090286728 923921475 /nfs/dbraw/zinc/92/14/75/923921475.db2.gz QAWVHVFPEKQQCH-GHMZBOCLSA-N 1 2 272.776 1.090 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CC2)[C@H](O)C1 ZINC001090286728 923921484 /nfs/dbraw/zinc/92/14/84/923921484.db2.gz QAWVHVFPEKQQCH-GHMZBOCLSA-N 1 2 272.776 1.090 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001194343037 924192210 /nfs/dbraw/zinc/19/22/10/924192210.db2.gz JXVYUWFEKAWJLW-LBPRGKRZSA-N 1 2 261.325 1.963 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc(C)cn2)C1 ZINC001079467607 924325997 /nfs/dbraw/zinc/32/59/97/924325997.db2.gz PCJQCURCIHNLMK-DGCLKSJQSA-N 1 2 296.802 1.381 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc(C)cn2)C1 ZINC001079467607 924326007 /nfs/dbraw/zinc/32/60/07/924326007.db2.gz PCJQCURCIHNLMK-DGCLKSJQSA-N 1 2 296.802 1.381 20 30 CDEDLO Cn1c[nH+]cc1-c1cccc(C(=O)N2CCNC[C@H]2C#N)c1 ZINC001194888175 924396668 /nfs/dbraw/zinc/39/66/68/924396668.db2.gz WUVXOMKTMISZHK-CQSZACIVSA-N 1 2 295.346 1.025 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(C)n2)C1 ZINC001080937320 924659829 /nfs/dbraw/zinc/65/98/29/924659829.db2.gz DSFBLOVSOOAJKO-BXKDBHETSA-N 1 2 282.775 1.223 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(C)n2)C1 ZINC001080937320 924659833 /nfs/dbraw/zinc/65/98/33/924659833.db2.gz DSFBLOVSOOAJKO-BXKDBHETSA-N 1 2 282.775 1.223 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](F)c2ccccc2)[C@H](OC)C1 ZINC001082183741 924878594 /nfs/dbraw/zinc/87/85/94/924878594.db2.gz PBYPCADBYALLGQ-RBSFLKMASA-N 1 2 290.338 1.146 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](F)c2ccccc2)[C@H](OC)C1 ZINC001082183741 924878601 /nfs/dbraw/zinc/87/86/01/924878601.db2.gz PBYPCADBYALLGQ-RBSFLKMASA-N 1 2 290.338 1.146 20 30 CDEDLO C#CCN1CC2(C[NH+](CCc3ccc(C)cc3)C2)OCC1=O ZINC001273721891 924909041 /nfs/dbraw/zinc/90/90/41/924909041.db2.gz UHMOOPDXXOLMQY-UHFFFAOYSA-N 1 2 298.386 1.084 20 30 CDEDLO C[NH+]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)on2)CC1 ZINC001196756646 924980559 /nfs/dbraw/zinc/98/05/59/924980559.db2.gz RQPMTHLOAJHWST-UHFFFAOYSA-N 1 2 296.330 1.601 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2sccc2C2CC2)[C@@H](O)C1 ZINC001084026254 925126328 /nfs/dbraw/zinc/12/63/28/925126328.db2.gz OYVVNPKZXQDUSL-OLZOCXBDSA-N 1 2 292.404 1.586 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2sccc2C2CC2)[C@@H](O)C1 ZINC001084026254 925126335 /nfs/dbraw/zinc/12/63/35/925126335.db2.gz OYVVNPKZXQDUSL-OLZOCXBDSA-N 1 2 292.404 1.586 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(CC)c(C)s2)[C@@H](O)C1 ZINC001084037971 925129675 /nfs/dbraw/zinc/12/96/75/925129675.db2.gz UPDUVUREKOJMTH-OLZOCXBDSA-N 1 2 294.420 1.580 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)c(C)s2)[C@@H](O)C1 ZINC001084037971 925129681 /nfs/dbraw/zinc/12/96/81/925129681.db2.gz UPDUVUREKOJMTH-OLZOCXBDSA-N 1 2 294.420 1.580 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=S)Nc1cccc(C#N)c1 ZINC001197749347 925211663 /nfs/dbraw/zinc/21/16/63/925211663.db2.gz ZWNWTSOHHCHWQV-UHFFFAOYSA-N 1 2 285.376 1.821 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)CC)c1nccn12 ZINC001101609114 936993733 /nfs/dbraw/zinc/99/37/33/936993733.db2.gz UFFQKLGQLVIOSK-OLZOCXBDSA-N 1 2 288.395 1.687 20 30 CDEDLO C=C[C@@H](CO)NC(=O)/C=C/c1ccc(Cn2cc[nH+]c2)cc1 ZINC001142372801 937008620 /nfs/dbraw/zinc/00/86/20/937008620.db2.gz UIQPFWICUKQXTL-WAVCKPEOSA-N 1 2 297.358 1.608 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnoc1-c1ccco1 ZINC001085677898 926281622 /nfs/dbraw/zinc/28/16/22/926281622.db2.gz XGCDCXXHAABQHH-LBPRGKRZSA-N 1 2 299.330 1.714 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnoc1-c1ccco1 ZINC001085677898 926281629 /nfs/dbraw/zinc/28/16/29/926281629.db2.gz XGCDCXXHAABQHH-LBPRGKRZSA-N 1 2 299.330 1.714 20 30 CDEDLO CN(C[C@H]1CCN1CC#N)C(=O)c1cccc2[nH+]ccn21 ZINC001085721277 926326919 /nfs/dbraw/zinc/32/69/19/926326919.db2.gz QTCHBHOHLWNRAF-GFCCVEGCSA-N 1 2 283.335 1.004 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nc(C)ncc1Cl ZINC001085853695 926457247 /nfs/dbraw/zinc/45/72/47/926457247.db2.gz FEJXEKNREYGPNP-NSHDSACASA-N 1 2 292.770 1.218 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nc(C)ncc1Cl ZINC001085853695 926457249 /nfs/dbraw/zinc/45/72/49/926457249.db2.gz FEJXEKNREYGPNP-NSHDSACASA-N 1 2 292.770 1.218 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncccc1F ZINC001085894335 926484216 /nfs/dbraw/zinc/48/42/16/926484216.db2.gz XOAGNSSKEHGECD-LBPRGKRZSA-N 1 2 275.327 1.390 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ncccc1F ZINC001085894335 926484218 /nfs/dbraw/zinc/48/42/18/926484218.db2.gz XOAGNSSKEHGECD-LBPRGKRZSA-N 1 2 275.327 1.390 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ncccc1F ZINC001085893761 926484586 /nfs/dbraw/zinc/48/45/86/926484586.db2.gz JVWILNZWRPKDLT-NSHDSACASA-N 1 2 261.300 1.000 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncccc1F ZINC001085893761 926484597 /nfs/dbraw/zinc/48/45/97/926484597.db2.gz JVWILNZWRPKDLT-NSHDSACASA-N 1 2 261.300 1.000 20 30 CDEDLO CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)CCC#N)C2 ZINC001143193790 937132844 /nfs/dbraw/zinc/13/28/44/937132844.db2.gz DAMBPKHMZBXTMD-UHFFFAOYSA-N 1 2 289.383 1.438 20 30 CDEDLO CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)CCC#N)C2 ZINC001143193790 937132848 /nfs/dbraw/zinc/13/28/48/937132848.db2.gz DAMBPKHMZBXTMD-UHFFFAOYSA-N 1 2 289.383 1.438 20 30 CDEDLO O=C1C=C2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@@H]2S1 ZINC001169025865 927663913 /nfs/dbraw/zinc/66/39/13/927663913.db2.gz ZKHGIPCUGCYLBK-WCQGTBRESA-N 1 2 282.365 1.706 20 30 CDEDLO O=C1C=C2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@@H]2S1 ZINC001169025865 927663919 /nfs/dbraw/zinc/66/39/19/927663919.db2.gz ZKHGIPCUGCYLBK-WCQGTBRESA-N 1 2 282.365 1.706 20 30 CDEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CCC(C)C)CC2=O)C1 ZINC001108507596 928183575 /nfs/dbraw/zinc/18/35/75/928183575.db2.gz OIBZSHOQBSTJFG-CYBMUJFWSA-N 1 2 293.411 1.010 20 30 CDEDLO Cc1nc(NC2(CNC(=O)[C@H](C)C#N)CCC2)cc[nH+]1 ZINC001111773259 937230018 /nfs/dbraw/zinc/23/00/18/937230018.db2.gz OYEKZPYQABFDAZ-SNVBAGLBSA-N 1 2 273.340 1.396 20 30 CDEDLO COc1ccc(NC[C@@H]2COCC[N@@H+]2C)c(CC#N)c1 ZINC001169656536 928293342 /nfs/dbraw/zinc/29/33/42/928293342.db2.gz NHAMWWMJJMOVEI-CYBMUJFWSA-N 1 2 275.352 1.504 20 30 CDEDLO COc1ccc(NC[C@@H]2COCC[N@H+]2C)c(CC#N)c1 ZINC001169656536 928293355 /nfs/dbraw/zinc/29/33/55/928293355.db2.gz NHAMWWMJJMOVEI-CYBMUJFWSA-N 1 2 275.352 1.504 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H](C)CNc2cc[nH+]c(C)n2)cc1 ZINC001108648130 928582783 /nfs/dbraw/zinc/58/27/83/928582783.db2.gz ZIIJIELLRYFZIX-LBPRGKRZSA-N 1 2 294.358 1.997 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](CCC(F)(F)F)CC1 ZINC001112813784 929453740 /nfs/dbraw/zinc/45/37/40/929453740.db2.gz APNIMUJMOONMEH-GFCCVEGCSA-N 1 2 294.317 1.410 20 30 CDEDLO C=CCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccon1 ZINC001152313494 937352809 /nfs/dbraw/zinc/35/28/09/937352809.db2.gz OGGCRFHVZONDLB-GFCCVEGCSA-N 1 2 265.357 1.967 20 30 CDEDLO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccon1 ZINC001152313494 937352812 /nfs/dbraw/zinc/35/28/12/937352812.db2.gz OGGCRFHVZONDLB-GFCCVEGCSA-N 1 2 265.357 1.967 20 30 CDEDLO C=CCOCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ncccn1 ZINC001152370477 937356832 /nfs/dbraw/zinc/35/68/32/937356832.db2.gz HRRCLSOQWDALET-CYBMUJFWSA-N 1 2 292.383 1.006 20 30 CDEDLO C=CCOCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncccn1 ZINC001152370477 937356834 /nfs/dbraw/zinc/35/68/34/937356834.db2.gz HRRCLSOQWDALET-CYBMUJFWSA-N 1 2 292.383 1.006 20 30 CDEDLO C=CCOCC(=O)NC[C@@H](C)[N@H+](CC)Cc1cscn1 ZINC001152460057 937364161 /nfs/dbraw/zinc/36/41/61/937364161.db2.gz OUJGXEYDTFAGEX-GFCCVEGCSA-N 1 2 297.424 1.672 20 30 CDEDLO C=CCOCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cscn1 ZINC001152460057 937364165 /nfs/dbraw/zinc/36/41/65/937364165.db2.gz OUJGXEYDTFAGEX-GFCCVEGCSA-N 1 2 297.424 1.672 20 30 CDEDLO Cc1nc(N[C@H](C)CN(C)C(=O)CSCC#N)cc[nH+]1 ZINC001115630024 937405554 /nfs/dbraw/zinc/40/55/54/937405554.db2.gz BWWVMHSJCXLDHT-SNVBAGLBSA-N 1 2 293.396 1.301 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@@H](C)C1 ZINC000884329571 930524791 /nfs/dbraw/zinc/52/47/91/930524791.db2.gz PXWOBJVZLQDTHZ-NEPJUHHUSA-N 1 2 268.357 1.082 20 30 CDEDLO C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136036870 930615232 /nfs/dbraw/zinc/61/52/32/930615232.db2.gz ZKEFXBUFJSSRIM-NWDGAFQWSA-N 1 2 278.400 1.710 20 30 CDEDLO COCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCC#N ZINC001274031857 931131927 /nfs/dbraw/zinc/13/19/27/931131927.db2.gz AYHIMHUTFOUGFR-HNNXBMFYSA-N 1 2 279.384 1.394 20 30 CDEDLO COCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCC#N ZINC001274031857 931131932 /nfs/dbraw/zinc/13/19/32/931131932.db2.gz AYHIMHUTFOUGFR-HNNXBMFYSA-N 1 2 279.384 1.394 20 30 CDEDLO C=C(C)CN1CC2(CN(c3cccc[nH+]3)C2)OCC1=O ZINC001274740416 931564469 /nfs/dbraw/zinc/56/44/69/931564469.db2.gz WTJZCMVKWDFZTK-UHFFFAOYSA-N 1 2 273.336 1.075 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3c(Cl)cccc3C#N)C[C@@H]21 ZINC001275006016 931630243 /nfs/dbraw/zinc/63/02/43/931630243.db2.gz UQHZAEVEKDREFY-GJZGRUSLSA-N 1 2 291.782 1.726 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3c(Cl)cccc3C#N)C[C@@H]21 ZINC001275006016 931630248 /nfs/dbraw/zinc/63/02/48/931630248.db2.gz UQHZAEVEKDREFY-GJZGRUSLSA-N 1 2 291.782 1.726 20 30 CDEDLO C#CC1CC[NH+](CN2C(=O)c3ccc(OC)cc3C2=O)CC1 ZINC000844709340 931678119 /nfs/dbraw/zinc/67/81/19/931678119.db2.gz CLGOEGJGQUTCOP-UHFFFAOYSA-N 1 2 298.342 1.594 20 30 CDEDLO N#C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001154521463 937553142 /nfs/dbraw/zinc/55/31/42/937553142.db2.gz GBNCBISXGFQQJE-NSHDSACASA-N 1 2 254.293 1.853 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncc(Cl)s1)C2 ZINC001095757247 934388274 /nfs/dbraw/zinc/38/82/74/934388274.db2.gz XWCRFZRADZBLPV-UTLUCORTSA-N 1 2 295.795 1.765 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncc(Cl)s1)C2 ZINC001095757247 934388285 /nfs/dbraw/zinc/38/82/85/934388285.db2.gz XWCRFZRADZBLPV-UTLUCORTSA-N 1 2 295.795 1.765 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn(C3CCC3)c2)C1 ZINC001042721139 935827983 /nfs/dbraw/zinc/82/79/83/935827983.db2.gz YWSSQHYGTJAIKK-UHFFFAOYSA-N 1 2 288.395 1.940 20 30 CDEDLO N#Cc1ccc(C[NH2+]Cc2nnc3n2CCOC3)cc1F ZINC001413212629 935949965 /nfs/dbraw/zinc/94/99/65/935949965.db2.gz SYMOPBSHTFSOOV-UHFFFAOYSA-N 1 2 287.298 1.109 20 30 CDEDLO Cc1nc(N2CCC[C@@H](NC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001096178387 935997726 /nfs/dbraw/zinc/99/77/26/935997726.db2.gz AMSRNOTXRAYHHP-CQSZACIVSA-N 1 2 284.363 1.283 20 30 CDEDLO Cc1nc(N[C@H]2C[C@H](NC(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001097003348 936259675 /nfs/dbraw/zinc/25/96/75/936259675.db2.gz WMKUCLFPXWVRNR-LSJOCFKGSA-N 1 2 259.313 1.004 20 30 CDEDLO CC(C)(C)c1nc2[nH]ccc2c(N2CC[NH2+]C[C@@H]2C#N)n1 ZINC001156327837 938353041 /nfs/dbraw/zinc/35/30/41/938353041.db2.gz OIWRQUCERYYONK-JTQLQIEISA-N 1 2 284.367 1.557 20 30 CDEDLO C=C(C)C(=O)NCCCNc1cc(N(CC)CC)nc[nH+]1 ZINC001156820433 938421707 /nfs/dbraw/zinc/42/17/07/938421707.db2.gz HXJFTGQZXCNQBQ-UHFFFAOYSA-N 1 2 291.399 1.817 20 30 CDEDLO C=C(C)C(=O)NCCCNc1cc(N(CC)CC)[nH+]cn1 ZINC001156820433 938421710 /nfs/dbraw/zinc/42/17/10/938421710.db2.gz HXJFTGQZXCNQBQ-UHFFFAOYSA-N 1 2 291.399 1.817 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC001157036534 938448072 /nfs/dbraw/zinc/44/80/72/938448072.db2.gz BNBDOXXGYREYHX-BXUZGUMPSA-N 1 2 279.340 1.212 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC001157036534 938448074 /nfs/dbraw/zinc/44/80/74/938448074.db2.gz BNBDOXXGYREYHX-BXUZGUMPSA-N 1 2 279.340 1.212 20 30 CDEDLO Cc1cc(N[C@@H]2CCC[N@@H+](C3COC3)C2)ncc1C#N ZINC001157582267 938515133 /nfs/dbraw/zinc/51/51/33/938515133.db2.gz BLWPGQVNAIQLNU-CYBMUJFWSA-N 1 2 272.352 1.537 20 30 CDEDLO Cc1cc(N[C@@H]2CCC[N@H+](C3COC3)C2)ncc1C#N ZINC001157582267 938515135 /nfs/dbraw/zinc/51/51/35/938515135.db2.gz BLWPGQVNAIQLNU-CYBMUJFWSA-N 1 2 272.352 1.537 20 30 CDEDLO N#Cc1c(Cl)ccnc1NCC1([NH+]2CCCC2)COC1 ZINC001157651249 938526834 /nfs/dbraw/zinc/52/68/34/938526834.db2.gz ZLJHGCYGRVXVCM-UHFFFAOYSA-N 1 2 292.770 1.883 20 30 CDEDLO CC(=O)N1CCC[C@H](CNc2cc(CC#N)cc[nH+]2)C1 ZINC001157956627 938568213 /nfs/dbraw/zinc/56/82/13/938568213.db2.gz SAMJFZZXMXRVOF-CQSZACIVSA-N 1 2 272.352 1.818 20 30 CDEDLO C[N@@H+]1CCOC[C@@H]1CNc1nccc2ccc(C#N)cc21 ZINC001158700283 938651711 /nfs/dbraw/zinc/65/17/11/938651711.db2.gz DHGHQCIQRCBUQD-AWEZNQCLSA-N 1 2 282.347 1.849 20 30 CDEDLO C[N@H+]1CCOC[C@@H]1CNc1nccc2ccc(C#N)cc21 ZINC001158700283 938651712 /nfs/dbraw/zinc/65/17/12/938651712.db2.gz DHGHQCIQRCBUQD-AWEZNQCLSA-N 1 2 282.347 1.849 20 30 CDEDLO N#Cc1ccccc1C[NH+]1CC2(C1)SCC[C@@H]2C(N)=O ZINC001278239380 945199924 /nfs/dbraw/zinc/19/99/24/945199924.db2.gz OPOKJNYQCZESQO-CYBMUJFWSA-N 1 2 287.388 1.351 20 30 CDEDLO N#CCc1cc[nH+]c(N2C[C@H](CO)[C@@H](C(F)(F)F)C2)c1 ZINC001164253975 939442155 /nfs/dbraw/zinc/44/21/55/939442155.db2.gz APAZYKUFCYWSFT-MNOVXSKESA-N 1 2 285.269 1.755 20 30 CDEDLO CC1(C)C[N@@H+](C2CN(c3ccc(C#N)cn3)C2)CCO1 ZINC001165133095 939515628 /nfs/dbraw/zinc/51/56/28/939515628.db2.gz SJZMXFPTWUHXFF-UHFFFAOYSA-N 1 2 272.352 1.253 20 30 CDEDLO CC1(C)C[N@H+](C2CN(c3ccc(C#N)cn3)C2)CCO1 ZINC001165133095 939515632 /nfs/dbraw/zinc/51/56/32/939515632.db2.gz SJZMXFPTWUHXFF-UHFFFAOYSA-N 1 2 272.352 1.253 20 30 CDEDLO CN(C)C1=[NH+]OC2(C1)CCN(c1cc(CC#N)ccn1)CC2 ZINC001166034768 939591272 /nfs/dbraw/zinc/59/12/72/939591272.db2.gz MNPZGBGVTCNXFI-UHFFFAOYSA-N 1 2 299.378 1.782 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3ncncn3)CC2)cc1 ZINC001203905735 939713045 /nfs/dbraw/zinc/71/30/45/939713045.db2.gz AZTNWNLEKMROLD-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1C ZINC001207215582 940167656 /nfs/dbraw/zinc/16/76/56/940167656.db2.gz LWNHMTCVGKBRCY-TZMCWYRMSA-N 1 2 291.399 1.108 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1C ZINC001207215582 940167657 /nfs/dbraw/zinc/16/76/57/940167657.db2.gz LWNHMTCVGKBRCY-TZMCWYRMSA-N 1 2 291.399 1.108 20 30 CDEDLO C=CCCC(=O)N1CCC[C@H]([NH2+]Cc2nc(CC)no2)C1 ZINC001207653507 940227092 /nfs/dbraw/zinc/22/70/92/940227092.db2.gz HZJAIDZNXUBUDW-LBPRGKRZSA-N 1 2 292.383 1.679 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nonc2C)C[C@H]1C ZINC001208309305 940317706 /nfs/dbraw/zinc/31/77/06/940317706.db2.gz IUULIDMEJRYBMZ-ZYHUDNBSSA-N 1 2 292.383 1.527 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nonc2C)C[C@H]1C ZINC001208309305 940317710 /nfs/dbraw/zinc/31/77/10/940317710.db2.gz IUULIDMEJRYBMZ-ZYHUDNBSSA-N 1 2 292.383 1.527 20 30 CDEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2OC)CC1 ZINC001213395073 940772138 /nfs/dbraw/zinc/77/21/38/940772138.db2.gz LSQZMYUYMLYMMO-CHWSQXEVSA-N 1 2 284.375 1.518 20 30 CDEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2OC)CC1 ZINC001213395073 940772140 /nfs/dbraw/zinc/77/21/40/940772140.db2.gz LSQZMYUYMLYMMO-CHWSQXEVSA-N 1 2 284.375 1.518 20 30 CDEDLO CN1C[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H](C1)O2 ZINC001276776086 941043739 /nfs/dbraw/zinc/04/37/39/941043739.db2.gz YZUVPVFMONDRCC-IYBDPMFKSA-N 1 2 287.363 1.104 20 30 CDEDLO CN1C[C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H](C1)O2 ZINC001276776086 941043740 /nfs/dbraw/zinc/04/37/40/941043740.db2.gz YZUVPVFMONDRCC-IYBDPMFKSA-N 1 2 287.363 1.104 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@@H]1O ZINC001219715686 941382988 /nfs/dbraw/zinc/38/29/88/941382988.db2.gz IQVJJAAPZOJOSS-KGLIPLIRSA-N 1 2 293.367 1.001 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@@H]1O ZINC001219715686 941382991 /nfs/dbraw/zinc/38/29/91/941382991.db2.gz IQVJJAAPZOJOSS-KGLIPLIRSA-N 1 2 293.367 1.001 20 30 CDEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2O)CCC1 ZINC001219785133 941388162 /nfs/dbraw/zinc/38/81/62/941388162.db2.gz FGPGMJVTJWFIGM-FTBGMHHGSA-N 1 2 296.798 1.094 20 30 CDEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]2O)CCC1 ZINC001219785133 941388165 /nfs/dbraw/zinc/38/81/65/941388165.db2.gz FGPGMJVTJWFIGM-FTBGMHHGSA-N 1 2 296.798 1.094 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](CCCCC)C(C)C)[C@@H](O)C1 ZINC001220711741 941465647 /nfs/dbraw/zinc/46/56/47/941465647.db2.gz NSXQDQWELAUAFK-OAGGEKHMSA-N 1 2 294.439 1.633 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CCCCC)C(C)C)[C@@H](O)C1 ZINC001220711741 941465649 /nfs/dbraw/zinc/46/56/49/941465649.db2.gz NSXQDQWELAUAFK-OAGGEKHMSA-N 1 2 294.439 1.633 20 30 CDEDLO C=CCOCC(COCC=C)OCc1c[nH+]cn1C ZINC001222595121 941618833 /nfs/dbraw/zinc/61/88/33/941618833.db2.gz PNYGSPPHJFGSIL-UHFFFAOYSA-N 1 2 266.341 1.711 20 30 CDEDLO CC[N@@H+]1CCCC[C@H]1C(=O)[C@@H](C#N)c1nccn1C ZINC001524256276 970830261 /nfs/dbraw/zinc/83/02/61/970830261.db2.gz JJJCYMGFSGRTTR-NEPJUHHUSA-N 1 2 260.341 1.471 20 30 CDEDLO CC[N@H+]1CCCC[C@H]1C(=O)[C@@H](C#N)c1nccn1C ZINC001524256276 970830265 /nfs/dbraw/zinc/83/02/65/970830265.db2.gz JJJCYMGFSGRTTR-NEPJUHHUSA-N 1 2 260.341 1.471 20 30 CDEDLO COc1ccc(OC)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001227074855 942127768 /nfs/dbraw/zinc/12/77/68/942127768.db2.gz DKLYUMLCSHPXGC-FDAWXEHDSA-N 1 2 291.347 1.695 20 30 CDEDLO COc1ccc(OC)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001227074855 942127771 /nfs/dbraw/zinc/12/77/71/942127771.db2.gz DKLYUMLCSHPXGC-FDAWXEHDSA-N 1 2 291.347 1.695 20 30 CDEDLO Cc1ncnc(C)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001228854738 942385329 /nfs/dbraw/zinc/38/53/29/942385329.db2.gz VQWWFILIZYCSAR-GQTXGERZSA-N 1 2 261.325 1.085 20 30 CDEDLO Cc1ncnc(C)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001228854738 942385333 /nfs/dbraw/zinc/38/53/33/942385333.db2.gz VQWWFILIZYCSAR-GQTXGERZSA-N 1 2 261.325 1.085 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2cc(C#N)ccc2Cl)C1 ZINC001229250065 942440814 /nfs/dbraw/zinc/44/08/14/942440814.db2.gz DXUFMQDKRBSVJG-LLVKDONJSA-N 1 2 266.728 1.921 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2cc(C#N)ccc2Cl)C1 ZINC001229250065 942440819 /nfs/dbraw/zinc/44/08/19/942440819.db2.gz DXUFMQDKRBSVJG-LLVKDONJSA-N 1 2 266.728 1.921 20 30 CDEDLO Cn1cccc1C[N@@H+]1CC[C@H]2C[C@]21C(=O)NC1(C#N)CCC1 ZINC001277390187 942479739 /nfs/dbraw/zinc/47/97/39/942479739.db2.gz KIHFTKPGGSMQOB-SUMWQHHRSA-N 1 2 298.390 1.552 20 30 CDEDLO Cn1cccc1C[N@H+]1CC[C@H]2C[C@]21C(=O)NC1(C#N)CCC1 ZINC001277390187 942479742 /nfs/dbraw/zinc/47/97/42/942479742.db2.gz KIHFTKPGGSMQOB-SUMWQHHRSA-N 1 2 298.390 1.552 20 30 CDEDLO Cn1nc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c2ccccc21 ZINC001230625268 942659899 /nfs/dbraw/zinc/65/98/99/942659899.db2.gz RDGMDKBWQBZBNQ-BSRWDCPYSA-N 1 2 285.347 1.565 20 30 CDEDLO Cn1nc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c2ccccc21 ZINC001230625268 942659900 /nfs/dbraw/zinc/65/99/00/942659900.db2.gz RDGMDKBWQBZBNQ-BSRWDCPYSA-N 1 2 285.347 1.565 20 30 CDEDLO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cc2c[nH]nc21 ZINC001230903122 942730988 /nfs/dbraw/zinc/73/09/88/942730988.db2.gz ARJICFPFVYJSAV-NQPNPBMCSA-N 1 2 285.347 1.863 20 30 CDEDLO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cc2c[nH]nc21 ZINC001230903122 942730991 /nfs/dbraw/zinc/73/09/91/942730991.db2.gz ARJICFPFVYJSAV-NQPNPBMCSA-N 1 2 285.347 1.863 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1conc1C ZINC001231122630 942793437 /nfs/dbraw/zinc/79/34/37/942793437.db2.gz LYSRCUFMEFNCRT-AWEZNQCLSA-N 1 2 277.368 1.982 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1conc1C ZINC001231122630 942793441 /nfs/dbraw/zinc/79/34/41/942793441.db2.gz LYSRCUFMEFNCRT-AWEZNQCLSA-N 1 2 277.368 1.982 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@@H+]1C/C=C\Cl ZINC001231245917 942831342 /nfs/dbraw/zinc/83/13/42/942831342.db2.gz BXWWEIKRBQEEIK-TXNVCOODSA-N 1 2 272.776 1.474 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@H+]1C/C=C\Cl ZINC001231245917 942831346 /nfs/dbraw/zinc/83/13/46/942831346.db2.gz BXWWEIKRBQEEIK-TXNVCOODSA-N 1 2 272.776 1.474 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2ccc3ccc(C#N)cc3n2)C1 ZINC001231366703 942868202 /nfs/dbraw/zinc/86/82/02/942868202.db2.gz HQEWXECUKCXHPJ-AWEZNQCLSA-N 1 2 283.331 1.816 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2ccc3ccc(C#N)cc3n2)C1 ZINC001231366703 942868207 /nfs/dbraw/zinc/86/82/07/942868207.db2.gz HQEWXECUKCXHPJ-AWEZNQCLSA-N 1 2 283.331 1.816 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccnc(C(F)F)c2)CC1 ZINC001231892656 943044369 /nfs/dbraw/zinc/04/43/69/943044369.db2.gz FESHNIGCWRVMLE-UHFFFAOYSA-N 1 2 265.307 1.770 20 30 CDEDLO N#Cc1cccc(N2CC[NH+](Cc3cncc(O)c3)CC2)c1 ZINC001232047194 943116394 /nfs/dbraw/zinc/11/63/94/943116394.db2.gz SYZSNPPYSOASEQ-UHFFFAOYSA-N 1 2 294.358 1.981 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cn(C)nc2C(F)(F)F)CC1 ZINC001232090978 943135826 /nfs/dbraw/zinc/13/58/26/943135826.db2.gz SEAWMHJNJHTKQG-UHFFFAOYSA-N 1 2 286.301 1.190 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H](O)C2)cc1Cl ZINC001232111972 943142296 /nfs/dbraw/zinc/14/22/96/943142296.db2.gz NDYZZQXSBWMMLM-LBPRGKRZSA-N 1 2 266.728 1.405 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H](O)C2)cc1Cl ZINC001232111972 943142297 /nfs/dbraw/zinc/14/22/97/943142297.db2.gz NDYZZQXSBWMMLM-LBPRGKRZSA-N 1 2 266.728 1.405 20 30 CDEDLO CC(C)CC(=O)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC001331099226 943282635 /nfs/dbraw/zinc/28/26/35/943282635.db2.gz VBLUFLUSTGQVCT-UHFFFAOYSA-N 1 2 263.385 1.871 20 30 CDEDLO COC[C@@H]1Cn2nccc2C[N@H+](Cc2cc(C#N)ccn2)C1 ZINC001232477859 943291347 /nfs/dbraw/zinc/29/13/47/943291347.db2.gz IFCSTGZIJROMTC-AWEZNQCLSA-N 1 2 297.362 1.428 20 30 CDEDLO COC[C@@H]1Cn2nccc2C[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001232477859 943291349 /nfs/dbraw/zinc/29/13/49/943291349.db2.gz IFCSTGZIJROMTC-AWEZNQCLSA-N 1 2 297.362 1.428 20 30 CDEDLO N#Cc1ccnc(C[N@H+]2CCCC[C@H]2C(=O)N2CCCC2)c1 ZINC001232480990 943294585 /nfs/dbraw/zinc/29/45/85/943294585.db2.gz PXTITAWYNQCUJE-INIZCTEOSA-N 1 2 298.390 1.930 20 30 CDEDLO N#Cc1ccnc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)c1 ZINC001232480990 943294588 /nfs/dbraw/zinc/29/45/88/943294588.db2.gz PXTITAWYNQCUJE-INIZCTEOSA-N 1 2 298.390 1.930 20 30 CDEDLO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2O)CCC[C@@H]1O ZINC001232673746 943354425 /nfs/dbraw/zinc/35/44/25/943354425.db2.gz MIEDWIURXUJRSF-FZMZJTMJSA-N 1 2 260.337 1.857 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2O)CCC[C@@H]1O ZINC001232673746 943354429 /nfs/dbraw/zinc/35/44/29/943354429.db2.gz MIEDWIURXUJRSF-FZMZJTMJSA-N 1 2 260.337 1.857 20 30 CDEDLO N#Cc1cccc(C[NH+]2CC3(C2)C[C@H](F)CS3)n1 ZINC001232925775 943436243 /nfs/dbraw/zinc/43/62/43/943436243.db2.gz OZTKMUORRZSTFJ-JTQLQIEISA-N 1 2 263.341 1.983 20 30 CDEDLO N#Cc1cc[nH]c1C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC001233047212 943475168 /nfs/dbraw/zinc/47/51/68/943475168.db2.gz RKQIXTMDEJZTRV-UHFFFAOYSA-N 1 2 282.351 1.389 20 30 CDEDLO N#Cc1cc[nH]c1C[N@H+]1CCCN(c2ncccn2)CC1 ZINC001233047212 943475169 /nfs/dbraw/zinc/47/51/69/943475169.db2.gz RKQIXTMDEJZTRV-UHFFFAOYSA-N 1 2 282.351 1.389 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)CC ZINC001233925933 943692415 /nfs/dbraw/zinc/69/24/15/943692415.db2.gz LGWZWKWHKBQTOS-KBPBESRZSA-N 1 2 295.427 1.258 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)CC ZINC001233925933 943692417 /nfs/dbraw/zinc/69/24/17/943692417.db2.gz LGWZWKWHKBQTOS-KBPBESRZSA-N 1 2 295.427 1.258 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N(C)C[C@H]1CC[N@@H+]1CCF)OCC ZINC001234644591 943925072 /nfs/dbraw/zinc/92/50/72/943925072.db2.gz VLELPKVOROQPED-ZIAGYGMSSA-N 1 2 286.391 1.860 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N(C)C[C@H]1CC[N@H+]1CCF)OCC ZINC001234644591 943925076 /nfs/dbraw/zinc/92/50/76/943925076.db2.gz VLELPKVOROQPED-ZIAGYGMSSA-N 1 2 286.391 1.860 20 30 CDEDLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1ccccc1CC#N ZINC001235524197 944188215 /nfs/dbraw/zinc/18/82/15/944188215.db2.gz BPAXZVXMCPLTKV-LBPRGKRZSA-N 1 2 257.337 1.415 20 30 CDEDLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1ccccc1CC#N ZINC001235524197 944188219 /nfs/dbraw/zinc/18/82/19/944188219.db2.gz BPAXZVXMCPLTKV-LBPRGKRZSA-N 1 2 257.337 1.415 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)C3CCC3)CC2)ccn1 ZINC001237470496 944802905 /nfs/dbraw/zinc/80/29/05/944802905.db2.gz RHJPCATZMIOAFT-UHFFFAOYSA-N 1 2 298.390 1.788 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)ccn1 ZINC001237470496 944802912 /nfs/dbraw/zinc/80/29/12/944802912.db2.gz RHJPCATZMIOAFT-UHFFFAOYSA-N 1 2 298.390 1.788 20 30 CDEDLO Cn1c[nH+]c(Cc2nc(-c3cccc(C#N)c3)no2)c1 ZINC001247242769 948607382 /nfs/dbraw/zinc/60/73/82/948607382.db2.gz UPEGNCCEWBVBAG-UHFFFAOYSA-N 1 2 265.276 1.933 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](C[C@@H](O)COc2cccc(F)c2)C1 ZINC001250811000 950394271 /nfs/dbraw/zinc/39/42/71/950394271.db2.gz XGRMYEXJLSTKGW-TZMCWYRMSA-N 1 2 278.327 1.801 20 30 CDEDLO N#C[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc(F)c2)C1 ZINC001250811000 950394287 /nfs/dbraw/zinc/39/42/87/950394287.db2.gz XGRMYEXJLSTKGW-TZMCWYRMSA-N 1 2 278.327 1.801 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1ccccc1OC ZINC001252885896 951698108 /nfs/dbraw/zinc/69/81/08/951698108.db2.gz VFRUQGJMAIBTHR-ZDUSSCGKSA-N 1 2 278.352 1.670 20 30 CDEDLO CC[N@H+](CCC#N)C[C@H](O)COc1ccccc1OC ZINC001252885896 951698103 /nfs/dbraw/zinc/69/81/03/951698103.db2.gz VFRUQGJMAIBTHR-ZDUSSCGKSA-N 1 2 278.352 1.670 20 30 CDEDLO N#Cc1cccc(CC(=O)N2CCc3cc[nH+]c(N)c3C2)c1 ZINC001364371230 954513642 /nfs/dbraw/zinc/51/36/42/954513642.db2.gz BMBZNEKIADPFJE-UHFFFAOYSA-N 1 2 292.342 1.663 20 30 CDEDLO CC(C)(CCC#N)CNC(=O)NCc1ccc[nH+]c1N ZINC001364632120 954923064 /nfs/dbraw/zinc/92/30/64/954923064.db2.gz HZUGDEFNKUGAFJ-UHFFFAOYSA-N 1 2 275.356 1.793 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)COC(C)C ZINC001329391508 955870969 /nfs/dbraw/zinc/87/09/69/955870969.db2.gz FBZICKLCKSBRMN-LLVKDONJSA-N 1 2 262.781 1.600 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)COC(C)C ZINC001329391508 955870982 /nfs/dbraw/zinc/87/09/82/955870982.db2.gz FBZICKLCKSBRMN-LLVKDONJSA-N 1 2 262.781 1.600 20 30 CDEDLO C#Cc1ccccc1CC(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001303974651 956141006 /nfs/dbraw/zinc/14/10/06/956141006.db2.gz KEUREAGTCOCEGM-UHFFFAOYSA-N 1 2 267.332 1.812 20 30 CDEDLO C#Cc1ccccc1CC(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001303974651 956141012 /nfs/dbraw/zinc/14/10/12/956141012.db2.gz KEUREAGTCOCEGM-UHFFFAOYSA-N 1 2 267.332 1.812 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC[N@H+](C)Cc1nc2ccccc2n1C ZINC001366518497 956908088 /nfs/dbraw/zinc/90/80/88/956908088.db2.gz JMZOMWBJXIEYGN-LBPRGKRZSA-N 1 2 299.378 1.281 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](C)Cc1nc2ccccc2n1C ZINC001366518497 956908098 /nfs/dbraw/zinc/90/80/98/956908098.db2.gz JMZOMWBJXIEYGN-LBPRGKRZSA-N 1 2 299.378 1.281 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(F)cc(F)c2O)C1=O ZINC001331568951 957142976 /nfs/dbraw/zinc/14/29/76/957142976.db2.gz NNOCDDYCCHFROI-CYBMUJFWSA-N 1 2 296.317 1.889 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(F)cc(F)c2O)C1=O ZINC001331568951 957142981 /nfs/dbraw/zinc/14/29/81/957142981.db2.gz NNOCDDYCCHFROI-CYBMUJFWSA-N 1 2 296.317 1.889 20 30 CDEDLO C=CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(=O)[O-] ZINC001333123982 958087665 /nfs/dbraw/zinc/08/76/65/958087665.db2.gz FTIWTKPRVACERU-CYBMUJFWSA-N 1 2 275.352 1.669 20 30 CDEDLO C=CCn1cnn(C[N@@H+]2CC[C@H](C3OCCO3)C2)c1=S ZINC001333234946 958175409 /nfs/dbraw/zinc/17/54/09/958175409.db2.gz WLLPGVIPZJLVLW-NSHDSACASA-N 1 2 296.396 1.252 20 30 CDEDLO C=CCn1cnn(C[N@H+]2CC[C@H](C3OCCO3)C2)c1=S ZINC001333234946 958175416 /nfs/dbraw/zinc/17/54/16/958175416.db2.gz WLLPGVIPZJLVLW-NSHDSACASA-N 1 2 296.396 1.252 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cnc(F)c(C)c2)nn1 ZINC001335072631 959562143 /nfs/dbraw/zinc/56/21/43/959562143.db2.gz DWMJUWSSAYTUBT-UHFFFAOYSA-N 1 2 261.304 1.596 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCn2cccn2)C1 ZINC001369957471 959931902 /nfs/dbraw/zinc/93/19/02/959931902.db2.gz PEPQSMDOGGDWFC-GFCCVEGCSA-N 1 2 282.775 1.216 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCn2cccn2)C1 ZINC001369957471 959931910 /nfs/dbraw/zinc/93/19/10/959931910.db2.gz PEPQSMDOGGDWFC-GFCCVEGCSA-N 1 2 282.775 1.216 20 30 CDEDLO CNc1ccc(C#N)cc1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001321950725 960028780 /nfs/dbraw/zinc/02/87/80/960028780.db2.gz WELGWFJTOVVRDZ-JTQLQIEISA-N 1 2 269.308 1.996 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001433629368 960471278 /nfs/dbraw/zinc/47/12/78/960471278.db2.gz JSMOXKRJHJUFDG-UHFFFAOYSA-N 1 2 283.335 1.938 20 30 CDEDLO C=C[C@@H](O)C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001337327711 961116874 /nfs/dbraw/zinc/11/68/74/961116874.db2.gz DPGRVJWPACUIAI-QWHCGFSZSA-N 1 2 280.755 1.360 20 30 CDEDLO C#CCO[C@H](C)C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001337768791 961413342 /nfs/dbraw/zinc/41/33/42/961413342.db2.gz ZGGMVGXBKAJNOS-GFCCVEGCSA-N 1 2 275.352 1.164 20 30 CDEDLO C[C@@H](C#N)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001339079235 962154200 /nfs/dbraw/zinc/15/42/00/962154200.db2.gz LSCZHTKMUFWLMR-JSGCOSHPSA-N 1 2 272.352 1.464 20 30 CDEDLO C[C@@H](C#N)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001339079235 962154211 /nfs/dbraw/zinc/15/42/11/962154211.db2.gz LSCZHTKMUFWLMR-JSGCOSHPSA-N 1 2 272.352 1.464 20 30 CDEDLO C[N@H+](CCNC(=O)CCCF)Cc1cc(C#N)ccc1F ZINC001420286390 962684108 /nfs/dbraw/zinc/68/41/08/962684108.db2.gz BUTURFMMQGJXAB-UHFFFAOYSA-N 1 2 295.333 1.995 20 30 CDEDLO C[N@@H+](CCNC(=O)CCCF)Cc1cc(C#N)ccc1F ZINC001420286390 962684114 /nfs/dbraw/zinc/68/41/14/962684114.db2.gz BUTURFMMQGJXAB-UHFFFAOYSA-N 1 2 295.333 1.995 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnc(C2CC2)o1 ZINC001437476930 962937735 /nfs/dbraw/zinc/93/77/35/962937735.db2.gz BRGBKJXWJKANOO-UHFFFAOYSA-N 1 2 283.759 1.966 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnc(C2CC2)o1 ZINC001437476930 962937743 /nfs/dbraw/zinc/93/77/43/962937743.db2.gz BRGBKJXWJKANOO-UHFFFAOYSA-N 1 2 283.759 1.966 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1csnn1 ZINC001438891482 963590507 /nfs/dbraw/zinc/59/05/07/963590507.db2.gz CCINETIKIUEFLK-UHFFFAOYSA-N 1 2 274.777 1.294 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1csnn1 ZINC001438891482 963590513 /nfs/dbraw/zinc/59/05/13/963590513.db2.gz CCINETIKIUEFLK-UHFFFAOYSA-N 1 2 274.777 1.294 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc2cccn2cn1 ZINC001442426016 965059611 /nfs/dbraw/zinc/05/96/11/965059611.db2.gz UJNZQBZRWGIBEJ-UHFFFAOYSA-N 1 2 292.770 1.748 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc2cccn2cn1 ZINC001442426016 965059620 /nfs/dbraw/zinc/05/96/20/965059620.db2.gz UJNZQBZRWGIBEJ-UHFFFAOYSA-N 1 2 292.770 1.748 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)Cc2nnc[nH]2)C1 ZINC001443887108 965648590 /nfs/dbraw/zinc/64/85/90/965648590.db2.gz SUIINMKVXZCNNE-NSHDSACASA-N 1 2 297.790 1.023 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)Cc2nnc[nH]2)C1 ZINC001443887108 965648597 /nfs/dbraw/zinc/64/85/97/965648597.db2.gz SUIINMKVXZCNNE-NSHDSACASA-N 1 2 297.790 1.023 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C1(COC)CC1 ZINC001445750627 966317573 /nfs/dbraw/zinc/31/75/73/966317573.db2.gz FRZSZNAEVFSKFV-NSHDSACASA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C1(COC)CC1 ZINC001445750627 966317577 /nfs/dbraw/zinc/31/75/77/966317577.db2.gz FRZSZNAEVFSKFV-NSHDSACASA-N 1 2 274.792 1.602 20 30 CDEDLO C=CC[NH2+]C1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001100348916 968083815 /nfs/dbraw/zinc/08/38/15/968083815.db2.gz KOQLAVMROKIXSG-HACHORDNSA-N 1 2 268.254 1.557 20 30 CDEDLO C=CC[NH2+]C1CC(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001100348916 968083821 /nfs/dbraw/zinc/08/38/21/968083821.db2.gz KOQLAVMROKIXSG-HACHORDNSA-N 1 2 268.254 1.557 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)NCC(C)(C)CCC#N ZINC001521598321 970324315 /nfs/dbraw/zinc/32/43/15/970324315.db2.gz WALXFBFRUJWWND-UHFFFAOYSA-N 1 2 262.357 1.799 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC001415821193 972769687 /nfs/dbraw/zinc/76/96/87/972769687.db2.gz XVBRTETVXCIJRC-ZDUSSCGKSA-N 1 2 299.374 1.521 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccsn1 ZINC001372362804 972933438 /nfs/dbraw/zinc/93/34/38/972933438.db2.gz SKKZKVHXPNSNNK-UHFFFAOYSA-N 1 2 273.789 1.947 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccsn1 ZINC001372362804 972933446 /nfs/dbraw/zinc/93/34/46/972933446.db2.gz SKKZKVHXPNSNNK-UHFFFAOYSA-N 1 2 273.789 1.947 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccncc1F ZINC001496683078 973039341 /nfs/dbraw/zinc/03/93/41/973039341.db2.gz QUYMXBLHYAWIQA-UHFFFAOYSA-N 1 2 285.750 1.977 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccncc1F ZINC001496683078 973039354 /nfs/dbraw/zinc/03/93/54/973039354.db2.gz QUYMXBLHYAWIQA-UHFFFAOYSA-N 1 2 285.750 1.977 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnn(CCF)c1 ZINC001377176731 974914066 /nfs/dbraw/zinc/91/40/66/974914066.db2.gz AUJITJZKUAGNCX-UHFFFAOYSA-N 1 2 288.754 1.267 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnn(CCF)c1 ZINC001377176731 974914068 /nfs/dbraw/zinc/91/40/68/974914068.db2.gz AUJITJZKUAGNCX-UHFFFAOYSA-N 1 2 288.754 1.267 20 30 CDEDLO CC(C)C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001377961818 975185739 /nfs/dbraw/zinc/18/57/39/975185739.db2.gz OBGFEYWOQBTEAG-UHFFFAOYSA-N 1 2 271.364 1.762 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2cscn2)C1 ZINC001506658961 975198925 /nfs/dbraw/zinc/19/89/25/975198925.db2.gz IYJFDAMGOLWHGJ-JTQLQIEISA-N 1 2 299.827 1.875 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCCC(=O)NC ZINC001378020761 975209879 /nfs/dbraw/zinc/20/98/79/975209879.db2.gz JSEBLAGRZXSROM-LLVKDONJSA-N 1 2 289.807 1.092 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCCC(=O)NC ZINC001378020761 975209883 /nfs/dbraw/zinc/20/98/83/975209883.db2.gz JSEBLAGRZXSROM-LLVKDONJSA-N 1 2 289.807 1.092 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cnn(C)c1C ZINC001406069039 975996719 /nfs/dbraw/zinc/99/67/19/975996719.db2.gz ASTUAECCHHKFNB-UHFFFAOYSA-N 1 2 284.791 1.485 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cnn(C)c1C ZINC001406069039 975996726 /nfs/dbraw/zinc/99/67/26/975996726.db2.gz ASTUAECCHHKFNB-UHFFFAOYSA-N 1 2 284.791 1.485 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)Cc2nnc(C)o2)C1 ZINC001380355796 976373639 /nfs/dbraw/zinc/37/36/39/976373639.db2.gz LCIBHJURAJVVCT-ZDUSSCGKSA-N 1 2 298.774 1.254 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)Cc2nnc(C)o2)C1 ZINC001380355796 976373649 /nfs/dbraw/zinc/37/36/49/976373649.db2.gz LCIBHJURAJVVCT-ZDUSSCGKSA-N 1 2 298.774 1.254 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)[C@H](C)c1nnc(C)[nH]1 ZINC001399935406 976756191 /nfs/dbraw/zinc/75/61/91/976756191.db2.gz AJBGTQPKHMDVHH-WDEREUQCSA-N 1 2 292.387 1.162 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)[C@H](C)c1nnc(C)[nH]1 ZINC001399935406 976756201 /nfs/dbraw/zinc/75/62/01/976756201.db2.gz AJBGTQPKHMDVHH-WDEREUQCSA-N 1 2 292.387 1.162 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1ncc[nH]1 ZINC001392715021 977567701 /nfs/dbraw/zinc/56/77/01/977567701.db2.gz VDTGHPITPYEYBN-JTQLQIEISA-N 1 2 270.764 1.141 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1ncc[nH]1 ZINC001392715021 977567708 /nfs/dbraw/zinc/56/77/08/977567708.db2.gz VDTGHPITPYEYBN-JTQLQIEISA-N 1 2 270.764 1.141 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132217695 1163201696 /nfs/dbraw/zinc/20/16/96/1163201696.db2.gz FVHCVZUIYOQEBW-RYUDHWBXSA-N 1 2 281.400 1.043 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001132217695 1163201706 /nfs/dbraw/zinc/20/17/06/1163201706.db2.gz FVHCVZUIYOQEBW-RYUDHWBXSA-N 1 2 281.400 1.043 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+][C@H](C)c1nc(CC)no1 ZINC001133158085 1163587719 /nfs/dbraw/zinc/58/77/19/1163587719.db2.gz XMKBRHXSGSOCHK-LLVKDONJSA-N 1 2 280.372 1.755 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001133380422 1163663743 /nfs/dbraw/zinc/66/37/43/1163663743.db2.gz FQDVAHMPIHOKJL-ZWNOBZJWSA-N 1 2 282.413 1.907 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CSc1ccccc1 ZINC000589826981 342514931 /nfs/dbraw/zinc/51/49/31/342514931.db2.gz SMACUZIYKFGCJV-CQSZACIVSA-N 1 2 277.393 1.739 20 30 CDEDLO N#CCCN1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000601262155 342540002 /nfs/dbraw/zinc/54/00/02/342540002.db2.gz XNHQISOIUGKVQA-UHFFFAOYSA-N 1 2 272.356 1.087 20 30 CDEDLO Cc1cc(NC(=O)N2CCC(F)(C#N)CC2)cc[nH+]1 ZINC000479018823 365542066 /nfs/dbraw/zinc/54/20/66/365542066.db2.gz ITUDMMKTESNGSC-UHFFFAOYSA-N 1 2 262.288 1.672 20 30 CDEDLO COc1ccc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc1C#N ZINC000087833191 361785425 /nfs/dbraw/zinc/78/54/25/361785425.db2.gz NHRQRBAAAPCHDR-ZDUSSCGKSA-N 1 2 294.376 1.186 20 30 CDEDLO COc1ccc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc1C#N ZINC000087833191 361785428 /nfs/dbraw/zinc/78/54/28/361785428.db2.gz NHRQRBAAAPCHDR-ZDUSSCGKSA-N 1 2 294.376 1.186 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000609030846 342087559 /nfs/dbraw/zinc/08/75/59/342087559.db2.gz OLQODJFHWGHVML-STQMWFEESA-N 1 2 271.364 1.852 20 30 CDEDLO CCOc1ccc(NC(=O)C[NH2+][C@H](C)CC#N)cc1 ZINC000609030780 342087587 /nfs/dbraw/zinc/08/75/87/342087587.db2.gz JXAVGUVEPHTSQT-LLVKDONJSA-N 1 2 261.325 1.916 20 30 CDEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cccc(C#N)n1 ZINC000590874899 342602288 /nfs/dbraw/zinc/60/22/88/342602288.db2.gz KVPUAIWQQFPYIK-JTQLQIEISA-N 1 2 269.308 1.661 20 30 CDEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)c2cccn2C)CC1 ZINC000591011222 342613378 /nfs/dbraw/zinc/61/33/78/342613378.db2.gz KUECTXIAXGFZMY-ZDUSSCGKSA-N 1 2 274.368 1.475 20 30 CDEDLO Cc1cc(NC(=O)c2ncc(C#N)cc2C)cc[nH+]1 ZINC000565471209 365663156 /nfs/dbraw/zinc/66/31/56/365663156.db2.gz GZNVPJCWHXPIAH-UHFFFAOYSA-N 1 2 252.277 1.639 20 30 CDEDLO COCCC[N@H+](C)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000083169429 178348290 /nfs/dbraw/zinc/34/82/90/178348290.db2.gz HBFFKEFMUJCYGE-AWEZNQCLSA-N 1 2 276.336 1.741 20 30 CDEDLO COCCC[N@@H+](C)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000083169429 178348292 /nfs/dbraw/zinc/34/82/92/178348292.db2.gz HBFFKEFMUJCYGE-AWEZNQCLSA-N 1 2 276.336 1.741 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000045839400 342126441 /nfs/dbraw/zinc/12/64/41/342126441.db2.gz LNQSNUBAEIUKNN-UHFFFAOYSA-N 1 2 266.291 1.909 20 30 CDEDLO CC(C)(C#N)C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000591759005 342644182 /nfs/dbraw/zinc/64/41/82/342644182.db2.gz CHMRQLKHCLLQJU-UHFFFAOYSA-N 1 2 291.376 1.471 20 30 CDEDLO Cc1cc(N2CCN(C(=O)C(C)(C)C)CC2)c(C#N)c[nH+]1 ZINC000591817757 342647290 /nfs/dbraw/zinc/64/72/90/342647290.db2.gz KAXKFHGPRBEPCN-UHFFFAOYSA-N 1 2 286.379 1.956 20 30 CDEDLO CCc1ccccc1NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592144825 342672905 /nfs/dbraw/zinc/67/29/05/342672905.db2.gz JJXVZGKVSWHLOM-MRXNPFEDSA-N 1 2 287.363 1.538 20 30 CDEDLO CCc1ccccc1NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592144825 342672906 /nfs/dbraw/zinc/67/29/06/342672906.db2.gz JJXVZGKVSWHLOM-MRXNPFEDSA-N 1 2 287.363 1.538 20 30 CDEDLO CC1CCC(NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592146513 342673167 /nfs/dbraw/zinc/67/31/67/342673167.db2.gz ITGDXUQYLJCBMU-SSDMNJCBSA-N 1 2 279.384 1.032 20 30 CDEDLO CC1CCC(NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592146513 342673168 /nfs/dbraw/zinc/67/31/68/342673168.db2.gz ITGDXUQYLJCBMU-SSDMNJCBSA-N 1 2 279.384 1.032 20 30 CDEDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146667 342673681 /nfs/dbraw/zinc/67/36/81/342673681.db2.gz DYXIKOKEQMPGKH-AWEZNQCLSA-N 1 2 291.307 1.454 20 30 CDEDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146667 342673683 /nfs/dbraw/zinc/67/36/83/342673683.db2.gz DYXIKOKEQMPGKH-AWEZNQCLSA-N 1 2 291.307 1.454 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(Br)cn2)C1 ZINC000592150571 342668581 /nfs/dbraw/zinc/66/85/81/342668581.db2.gz GVLWCQRVGAVOHI-GFCCVEGCSA-N 1 2 296.168 1.695 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(Br)cn2)C1 ZINC000592150571 342668582 /nfs/dbraw/zinc/66/85/82/342668582.db2.gz GVLWCQRVGAVOHI-GFCCVEGCSA-N 1 2 296.168 1.695 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000592150735 342668901 /nfs/dbraw/zinc/66/89/01/342668901.db2.gz ICHRZYJWGNVSKJ-HOCLYGCPSA-N 1 2 285.347 1.142 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000592150735 342668902 /nfs/dbraw/zinc/66/89/02/342668902.db2.gz ICHRZYJWGNVSKJ-HOCLYGCPSA-N 1 2 285.347 1.142 20 30 CDEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602475177 342166248 /nfs/dbraw/zinc/16/62/48/342166248.db2.gz XNAYJEXBGDHCLA-CYBMUJFWSA-N 1 2 291.376 1.434 20 30 CDEDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602475177 342166249 /nfs/dbraw/zinc/16/62/49/342166249.db2.gz XNAYJEXBGDHCLA-CYBMUJFWSA-N 1 2 291.376 1.434 20 30 CDEDLO CC[C@H]1COC(C)(C)C[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000593056805 342759927 /nfs/dbraw/zinc/75/99/27/342759927.db2.gz ALNZKGXTANVFCS-LBPRGKRZSA-N 1 2 279.384 1.438 20 30 CDEDLO CC[C@H]1COC(C)(C)C[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000593056805 342759929 /nfs/dbraw/zinc/75/99/29/342759929.db2.gz ALNZKGXTANVFCS-LBPRGKRZSA-N 1 2 279.384 1.438 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)[C@@H](C)CO1 ZINC000593061094 342761148 /nfs/dbraw/zinc/76/11/48/342761148.db2.gz HOSOIBUTFPTIBB-MELADBBJSA-N 1 2 281.400 1.494 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)[C@@H](C)CO1 ZINC000593061094 342761149 /nfs/dbraw/zinc/76/11/49/342761149.db2.gz HOSOIBUTFPTIBB-MELADBBJSA-N 1 2 281.400 1.494 20 30 CDEDLO Cc1noc(C)c1[C@@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593154280 342774040 /nfs/dbraw/zinc/77/40/40/342774040.db2.gz CQVGRNWDGSXQTJ-YMTOWFKASA-N 1 2 278.356 1.355 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc2ccccc2c(=O)o1 ZINC000593154974 342774547 /nfs/dbraw/zinc/77/45/47/342774547.db2.gz SIUDLJHNUKSVDL-MRXNPFEDSA-N 1 2 299.330 1.367 20 30 CDEDLO C[C@@H](CC(=O)N(C)c1ccc(C#N)nc1)n1cc[nH+]c1 ZINC000593277173 342783263 /nfs/dbraw/zinc/78/32/63/342783263.db2.gz QHAVTOSDDCEHCN-NSHDSACASA-N 1 2 269.308 1.764 20 30 CDEDLO CC[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000593389234 342793839 /nfs/dbraw/zinc/79/38/39/342793839.db2.gz PDDCWRXRWVFQRD-INIZCTEOSA-N 1 2 296.374 1.752 20 30 CDEDLO CC[C@@H](C#N)C(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000593750840 342832549 /nfs/dbraw/zinc/83/25/49/342832549.db2.gz AFOJBQLLWGYBJG-LBPRGKRZSA-N 1 2 270.336 1.851 20 30 CDEDLO CN(CCC#N)C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000594258307 342885742 /nfs/dbraw/zinc/88/57/42/342885742.db2.gz NHGAZSUOWHYMFJ-SECBINFHSA-N 1 2 288.273 1.828 20 30 CDEDLO CCC(C#N)(CC)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000599351555 344018970 /nfs/dbraw/zinc/01/89/70/344018970.db2.gz ZYLZPRHAWSTUJD-QWHCGFSZSA-N 1 2 281.400 1.542 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595461446 343070795 /nfs/dbraw/zinc/07/07/95/343070795.db2.gz KAKCPHYAIYIXBZ-UHFFFAOYSA-N 1 2 255.274 1.526 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595461446 343070796 /nfs/dbraw/zinc/07/07/96/343070796.db2.gz KAKCPHYAIYIXBZ-UHFFFAOYSA-N 1 2 255.274 1.526 20 30 CDEDLO COc1coc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1=O ZINC000595615307 343109722 /nfs/dbraw/zinc/10/97/22/343109722.db2.gz PURIKYFVTIFSCN-NSHDSACASA-N 1 2 262.309 1.774 20 30 CDEDLO COc1coc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1=O ZINC000595615307 343109724 /nfs/dbraw/zinc/10/97/24/343109724.db2.gz PURIKYFVTIFSCN-NSHDSACASA-N 1 2 262.309 1.774 20 30 CDEDLO Cc1nnc(C[N@H+](C)CCOc2ccc(C#N)cc2)o1 ZINC000595705893 343127574 /nfs/dbraw/zinc/12/75/74/343127574.db2.gz ZCDSYTFURPEGIK-UHFFFAOYSA-N 1 2 272.308 1.761 20 30 CDEDLO Cc1nnc(C[N@@H+](C)CCOc2ccc(C#N)cc2)o1 ZINC000595705893 343127576 /nfs/dbraw/zinc/12/75/76/343127576.db2.gz ZCDSYTFURPEGIK-UHFFFAOYSA-N 1 2 272.308 1.761 20 30 CDEDLO CC[N@H+](C[C@H](O)Cc1ccc(F)cc1)[C@H](C)C#N ZINC000595820595 343165878 /nfs/dbraw/zinc/16/58/78/343165878.db2.gz MZNDAQDOYRPRHZ-BXUZGUMPSA-N 1 2 250.317 1.963 20 30 CDEDLO CC[N@@H+](C[C@H](O)Cc1ccc(F)cc1)[C@H](C)C#N ZINC000595820595 343165880 /nfs/dbraw/zinc/16/58/80/343165880.db2.gz MZNDAQDOYRPRHZ-BXUZGUMPSA-N 1 2 250.317 1.963 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1N(c2cc(C#N)ncn2)CC1(C)C ZINC000596002442 343206947 /nfs/dbraw/zinc/20/69/47/343206947.db2.gz GKRIYEVQLOKOTR-LBPRGKRZSA-N 1 2 268.324 1.669 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1N(c2ccc(C#N)nn2)CC1(C)C ZINC000596001689 343207098 /nfs/dbraw/zinc/20/70/98/343207098.db2.gz ABAYNAOSFVAVSB-LBPRGKRZSA-N 1 2 268.324 1.669 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1cnccn1 ZINC000080966164 342362527 /nfs/dbraw/zinc/36/25/27/342362527.db2.gz YWXZOUOVOCAQIX-IUODEOHRSA-N 1 2 289.383 1.351 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1cnccn1 ZINC000080966164 342362528 /nfs/dbraw/zinc/36/25/28/342362528.db2.gz YWXZOUOVOCAQIX-IUODEOHRSA-N 1 2 289.383 1.351 20 30 CDEDLO CC[N@H+](CCC#N)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000081038985 342363312 /nfs/dbraw/zinc/36/33/12/342363312.db2.gz HCMZVJSNNIPAEF-VIFPVBQESA-N 1 2 263.263 1.385 20 30 CDEDLO CC[N@@H+](CCC#N)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000081038985 342363313 /nfs/dbraw/zinc/36/33/13/342363313.db2.gz HCMZVJSNNIPAEF-VIFPVBQESA-N 1 2 263.263 1.385 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNc1nc(C#N)c(Cl)s1 ZINC000596113186 343230793 /nfs/dbraw/zinc/23/07/93/343230793.db2.gz PPXSXNUJJGAATI-MRVPVSSYSA-N 1 2 286.788 1.223 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNc1nc(C#N)c(Cl)s1 ZINC000596113186 343230794 /nfs/dbraw/zinc/23/07/94/343230794.db2.gz PPXSXNUJJGAATI-MRVPVSSYSA-N 1 2 286.788 1.223 20 30 CDEDLO C[C@@H]1C[N@H+](CCNc2cccnc2C#N)[C@@H](C)CO1 ZINC000596430737 343319060 /nfs/dbraw/zinc/31/90/60/343319060.db2.gz OKGZPSRWAYVVSD-NWDGAFQWSA-N 1 2 260.341 1.474 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNc2cccnc2C#N)[C@@H](C)CO1 ZINC000596430737 343319062 /nfs/dbraw/zinc/31/90/62/343319062.db2.gz OKGZPSRWAYVVSD-NWDGAFQWSA-N 1 2 260.341 1.474 20 30 CDEDLO C#CC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000089592290 342392515 /nfs/dbraw/zinc/39/25/15/342392515.db2.gz NOEIFAJLDRSTBQ-UHFFFAOYSA-N 1 2 260.297 1.053 20 30 CDEDLO Cc1c[nH+]c(CCNc2c(C#N)cnn2C)c(C)c1 ZINC000596300061 343292220 /nfs/dbraw/zinc/29/22/20/343292220.db2.gz SSDMENQZJXKQGW-UHFFFAOYSA-N 1 2 255.325 1.958 20 30 CDEDLO C[N@@H+]1CCN(C(=O)c2sccc2C#N)CC1(C)C ZINC000552039158 290045235 /nfs/dbraw/zinc/04/52/35/290045235.db2.gz OYCWFXOGUGDOMV-UHFFFAOYSA-N 1 2 263.366 1.786 20 30 CDEDLO C[N@H+]1CCN(C(=O)c2sccc2C#N)CC1(C)C ZINC000552039158 290045237 /nfs/dbraw/zinc/04/52/37/290045237.db2.gz OYCWFXOGUGDOMV-UHFFFAOYSA-N 1 2 263.366 1.786 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@@H](C)CO1 ZINC000596637323 343363243 /nfs/dbraw/zinc/36/32/43/343363243.db2.gz TWGBMYLJJCFTHW-XDQVBPFNSA-N 1 2 294.399 1.087 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@@H](C)CO1 ZINC000596637323 343363244 /nfs/dbraw/zinc/36/32/44/343363244.db2.gz TWGBMYLJJCFTHW-XDQVBPFNSA-N 1 2 294.399 1.087 20 30 CDEDLO COc1nn(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330232255 362185678 /nfs/dbraw/zinc/18/56/78/362185678.db2.gz RMCBSOABRIYSDP-NSHDSACASA-N 1 2 264.329 1.644 20 30 CDEDLO COc1nn(C)cc1NC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330232255 362185683 /nfs/dbraw/zinc/18/56/83/362185683.db2.gz RMCBSOABRIYSDP-NSHDSACASA-N 1 2 264.329 1.644 20 30 CDEDLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1(C#N)CCC1 ZINC000596911787 343415402 /nfs/dbraw/zinc/41/54/02/343415402.db2.gz YZROKNICURBNJA-LLVKDONJSA-N 1 2 258.325 1.350 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](Cc2cn(Cc3cccnc3)nn2)C1 ZINC000597177483 343468395 /nfs/dbraw/zinc/46/83/95/343468395.db2.gz MWTNYDMATUFPSU-AWEZNQCLSA-N 1 2 296.378 1.847 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cn(Cc3cccnc3)nn2)C1 ZINC000597177483 343468398 /nfs/dbraw/zinc/46/83/98/343468398.db2.gz MWTNYDMATUFPSU-AWEZNQCLSA-N 1 2 296.378 1.847 20 30 CDEDLO N#CCC1C[NH+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000597193209 343469474 /nfs/dbraw/zinc/46/94/74/343469474.db2.gz FIOLFUVTXNAPJV-UHFFFAOYSA-N 1 2 278.381 1.325 20 30 CDEDLO COCC[N@H+](CCC#N)CC1(CC(=O)OC)CC1 ZINC000619648423 349832407 /nfs/dbraw/zinc/83/24/07/349832407.db2.gz TWEBGVGJQJVLFA-UHFFFAOYSA-N 1 2 254.330 1.192 20 30 CDEDLO COCC[N@@H+](CCC#N)CC1(CC(=O)OC)CC1 ZINC000619648423 349832410 /nfs/dbraw/zinc/83/24/10/349832410.db2.gz TWEBGVGJQJVLFA-UHFFFAOYSA-N 1 2 254.330 1.192 20 30 CDEDLO CN1CC[C@@H]([N@H+](C)CC(=O)NC2CCCCCC2)C1=O ZINC000329050996 529819462 /nfs/dbraw/zinc/81/94/62/529819462.db2.gz HBYCDYUQEJHENR-CYBMUJFWSA-N 1 2 281.400 1.828 20 30 CDEDLO CN1CC[C@@H]([N@@H+](C)CC(=O)NC2CCCCCC2)C1=O ZINC000329050996 529819463 /nfs/dbraw/zinc/81/94/63/529819463.db2.gz HBYCDYUQEJHENR-CYBMUJFWSA-N 1 2 281.400 1.828 20 30 CDEDLO C=C[C@@H]([NH2+]CCCOCC1CCOCC1)C(=O)OC ZINC000619702997 349859320 /nfs/dbraw/zinc/85/93/20/349859320.db2.gz VFTOXJFWGIRQGV-CYBMUJFWSA-N 1 2 271.357 1.137 20 30 CDEDLO CO[C@H](C)c1noc(C[N@H+](C)C[C@@H](O)CC(C)(C)C#N)n1 ZINC000598591994 343838015 /nfs/dbraw/zinc/83/80/15/343838015.db2.gz DIMZVOVYVZCULJ-MNOVXSKESA-N 1 2 296.371 1.510 20 30 CDEDLO CO[C@H](C)c1noc(C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)n1 ZINC000598591994 343838016 /nfs/dbraw/zinc/83/80/16/343838016.db2.gz DIMZVOVYVZCULJ-MNOVXSKESA-N 1 2 296.371 1.510 20 30 CDEDLO CCC[C@@](C)([NH2+]C[C@H](O)CC(C)(C)C#N)C(=O)OC ZINC000598591841 343838291 /nfs/dbraw/zinc/83/82/91/343838291.db2.gz CYCVADRQZULXJS-BXUZGUMPSA-N 1 2 270.373 1.609 20 30 CDEDLO C[N@@H+]1CCOC[C@H]1CNc1ccc([N+](=O)[O-])cc1C#N ZINC000599160859 343971126 /nfs/dbraw/zinc/97/11/26/343971126.db2.gz QXSFYOHSXQVREN-GFCCVEGCSA-N 1 2 276.296 1.209 20 30 CDEDLO C[N@H+]1CCOC[C@H]1CNc1ccc([N+](=O)[O-])cc1C#N ZINC000599160859 343971129 /nfs/dbraw/zinc/97/11/29/343971129.db2.gz QXSFYOHSXQVREN-GFCCVEGCSA-N 1 2 276.296 1.209 20 30 CDEDLO CC(C)(C(=O)N1CCC[C@](C)(C#N)C1)[NH+]1CCOCC1 ZINC000619777137 349899268 /nfs/dbraw/zinc/89/92/68/349899268.db2.gz HEFLELZNOHFVTM-OAHLLOKOSA-N 1 2 279.384 1.249 20 30 CDEDLO CCOC[C@H](C(=O)OC)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000612104491 347019759 /nfs/dbraw/zinc/01/97/59/347019759.db2.gz VECKMLCJUCHYCT-OAHLLOKOSA-N 1 2 290.363 1.763 20 30 CDEDLO CCOC[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000612104491 347019761 /nfs/dbraw/zinc/01/97/61/347019761.db2.gz VECKMLCJUCHYCT-OAHLLOKOSA-N 1 2 290.363 1.763 20 30 CDEDLO CCCC[N@H+](CC1(C#N)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000331571297 362314474 /nfs/dbraw/zinc/31/44/74/362314474.db2.gz YQIIKXILELNKTM-GFCCVEGCSA-N 1 2 270.398 1.579 20 30 CDEDLO CCCC[N@@H+](CC1(C#N)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000331571297 362314476 /nfs/dbraw/zinc/31/44/76/362314476.db2.gz YQIIKXILELNKTM-GFCCVEGCSA-N 1 2 270.398 1.579 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)Nc2sccc2C#N)CC[C@H]1O ZINC000249134237 362338481 /nfs/dbraw/zinc/33/84/81/362338481.db2.gz MVSTWDPRTRBOFF-MWLCHTKSSA-N 1 2 279.365 1.261 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)CC[C@H]1O ZINC000249134237 362338486 /nfs/dbraw/zinc/33/84/86/362338486.db2.gz MVSTWDPRTRBOFF-MWLCHTKSSA-N 1 2 279.365 1.261 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000188308968 344154189 /nfs/dbraw/zinc/15/41/89/344154189.db2.gz YLBLNCTUZUMDSC-GXTWGEPZSA-N 1 2 254.374 1.426 20 30 CDEDLO CCOC(=O)c1ccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)[nH]1 ZINC000602696910 344543546 /nfs/dbraw/zinc/54/35/46/344543546.db2.gz LUOMYKPEIJYFEJ-AWEZNQCLSA-N 1 2 277.324 1.042 20 30 CDEDLO CCOC(=O)c1ccc(C[N@H+]2CC[C@@](O)(CC#N)C2)[nH]1 ZINC000602696910 344543547 /nfs/dbraw/zinc/54/35/47/344543547.db2.gz LUOMYKPEIJYFEJ-AWEZNQCLSA-N 1 2 277.324 1.042 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCCOc1ccccc1 ZINC000602860228 344616265 /nfs/dbraw/zinc/61/62/65/344616265.db2.gz AFIUKWHSKLYQQE-LBPRGKRZSA-N 1 2 261.325 1.073 20 30 CDEDLO CCOC(=O)C1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)CC#N)CC1 ZINC000602861086 344616736 /nfs/dbraw/zinc/61/67/36/344616736.db2.gz FGDKHOIENBCWBJ-NWDGAFQWSA-N 1 2 295.383 1.068 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)NCCc1ccc(F)cc1 ZINC000602861649 344617423 /nfs/dbraw/zinc/61/74/23/344617423.db2.gz GWNJJPCABLRURU-NWDGAFQWSA-N 1 2 277.343 1.765 20 30 CDEDLO Cc1cccc(OCCNC(=O)C[NH2+][C@H](C)CC#N)c1 ZINC000602866412 344638896 /nfs/dbraw/zinc/63/88/96/344638896.db2.gz ZVQRSSSXBYZPRS-CYBMUJFWSA-N 1 2 275.352 1.382 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612161171 347064811 /nfs/dbraw/zinc/06/48/11/347064811.db2.gz AXLWBNJAIJWLQX-OAHLLOKOSA-N 1 2 261.369 1.813 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612161171 347064812 /nfs/dbraw/zinc/06/48/12/347064812.db2.gz AXLWBNJAIJWLQX-OAHLLOKOSA-N 1 2 261.369 1.813 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(C#N)c(C)c2)nn1 ZINC000603235919 344742781 /nfs/dbraw/zinc/74/27/81/344742781.db2.gz JUIQGSHOWIIBGA-UHFFFAOYSA-N 1 2 279.347 1.619 20 30 CDEDLO Cc1cccc2[nH+]c(Cn3cc(CCC#N)nn3)cn21 ZINC000603219793 344747368 /nfs/dbraw/zinc/74/73/68/344747368.db2.gz SSIZOMYGJOCZQE-UHFFFAOYSA-N 1 2 266.308 1.739 20 30 CDEDLO C=C(C)C[NH+]1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000058049896 345620150 /nfs/dbraw/zinc/62/01/50/345620150.db2.gz XMAJXYKNXQAZIJ-UHFFFAOYSA-N 1 2 294.420 1.710 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@H]1CCN(c2ccccc2F)C1=O ZINC000609572515 345813060 /nfs/dbraw/zinc/81/30/60/345813060.db2.gz VGHLQVARLPZLNM-JQWIXIFHSA-N 1 2 261.300 1.823 20 30 CDEDLO CCOC1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000609671890 345988447 /nfs/dbraw/zinc/98/84/47/345988447.db2.gz YPDNAZAONPZCCP-OAHLLOKOSA-N 1 2 287.363 1.586 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000152303886 346153629 /nfs/dbraw/zinc/15/36/29/346153629.db2.gz SFMVNIKTPHOPAX-JKSUJKDBSA-N 1 2 272.348 1.938 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000152303886 346153630 /nfs/dbraw/zinc/15/36/30/346153630.db2.gz SFMVNIKTPHOPAX-JKSUJKDBSA-N 1 2 272.348 1.938 20 30 CDEDLO C[C@H](NC(=O)NCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000610335234 346254548 /nfs/dbraw/zinc/25/45/48/346254548.db2.gz BLYAMGDFBRTSSM-LBPRGKRZSA-N 1 2 283.335 1.815 20 30 CDEDLO Cn1cc(C#N)c(=NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)[nH]1 ZINC000610674771 346347499 /nfs/dbraw/zinc/34/74/99/346347499.db2.gz NSSGZMSOLIXFMM-LLVKDONJSA-N 1 2 299.338 1.196 20 30 CDEDLO Cc1cc(N2CCC[C@H](S(C)(=O)=O)CC2)c(C#N)c[nH+]1 ZINC000584835498 346450173 /nfs/dbraw/zinc/45/01/73/346450173.db2.gz FRMCKIXXBOBDBY-ZDUSSCGKSA-N 1 2 293.392 1.665 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccnc2ccccc21 ZINC000573799607 334966637 /nfs/dbraw/zinc/96/66/37/334966637.db2.gz FCOSNWHGQCJKLM-INIZCTEOSA-N 1 2 282.347 1.808 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(C#N)c(Cl)c1 ZINC000414122325 362920944 /nfs/dbraw/zinc/92/09/44/362920944.db2.gz ILVMZWPGMPXDPJ-LBPRGKRZSA-N 1 2 293.754 1.797 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(C#N)c(Cl)c1 ZINC000414122325 362920952 /nfs/dbraw/zinc/92/09/52/362920952.db2.gz ILVMZWPGMPXDPJ-LBPRGKRZSA-N 1 2 293.754 1.797 20 30 CDEDLO CC(C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000025992253 348657877 /nfs/dbraw/zinc/65/78/77/348657877.db2.gz WUXGDVFEHWZWIU-UHFFFAOYSA-N 1 2 286.379 1.794 20 30 CDEDLO Cc1ccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)c(C)[nH+]1 ZINC000615631686 348616823 /nfs/dbraw/zinc/61/68/23/348616823.db2.gz NOZZIZZHVUHLHW-AWEZNQCLSA-N 1 2 290.298 1.101 20 30 CDEDLO CC(=O)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000639471373 362932385 /nfs/dbraw/zinc/93/23/85/362932385.db2.gz FBMQOSISTSJFIQ-UHFFFAOYSA-N 1 2 294.358 1.817 20 30 CDEDLO CCN(CC)c1ccc(CNc2cc(C#N)ncn2)c[nH+]1 ZINC000617939865 349367200 /nfs/dbraw/zinc/36/72/00/349367200.db2.gz KGLWMTWNWTWFNV-UHFFFAOYSA-N 1 2 282.351 1.623 20 30 CDEDLO CC(C)[C@H](NC(=O)c1cccc(C#N)n1)c1[nH]cc[nH+]1 ZINC000603158647 350221197 /nfs/dbraw/zinc/22/11/97/350221197.db2.gz DNAVSTVWCHQADD-LBPRGKRZSA-N 1 2 269.308 1.803 20 30 CDEDLO N#Cc1ccc(N2CCC(Nc3cc[nH+]cc3F)CC2)nc1 ZINC000603288430 350246902 /nfs/dbraw/zinc/24/69/02/350246902.db2.gz JWYIULICYXXEHO-UHFFFAOYSA-N 1 2 297.337 1.990 20 30 CDEDLO N#CCCCCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000264053735 362952821 /nfs/dbraw/zinc/95/28/21/362952821.db2.gz YGEZYZARRZAOOS-UHFFFAOYSA-N 1 2 256.309 1.687 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cnn(CC)c2)c1 ZINC000092143087 180334520 /nfs/dbraw/zinc/33/45/20/180334520.db2.gz IHIQSZYHAIENDL-UHFFFAOYSA-N 1 2 296.374 1.955 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cnn(CC)c2)c1 ZINC000092143087 180334522 /nfs/dbraw/zinc/33/45/22/180334522.db2.gz IHIQSZYHAIENDL-UHFFFAOYSA-N 1 2 296.374 1.955 20 30 CDEDLO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000154123430 351270738 /nfs/dbraw/zinc/27/07/38/351270738.db2.gz SLVVEZMSTPPYKA-SNVBAGLBSA-N 1 2 299.421 1.133 20 30 CDEDLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000154123430 351270741 /nfs/dbraw/zinc/27/07/41/351270741.db2.gz SLVVEZMSTPPYKA-SNVBAGLBSA-N 1 2 299.421 1.133 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2cccc(F)c2C1 ZINC000157891444 188345190 /nfs/dbraw/zinc/34/51/90/188345190.db2.gz AQGJZCCGLKOHRU-LBPRGKRZSA-N 1 2 289.354 1.944 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCc2cccc(F)c2C1 ZINC000157891444 188345192 /nfs/dbraw/zinc/34/51/92/188345192.db2.gz AQGJZCCGLKOHRU-LBPRGKRZSA-N 1 2 289.354 1.944 20 30 CDEDLO CC#CCN1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000158522169 188380199 /nfs/dbraw/zinc/38/01/99/188380199.db2.gz MIDDYOXCBNTLJU-UHFFFAOYSA-N 1 2 276.355 1.975 20 30 CDEDLO C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccccc1 ZINC000569977692 363260808 /nfs/dbraw/zinc/26/08/08/363260808.db2.gz OPNMZQPFGLOFJI-SWLSCSKDSA-N 1 2 259.353 1.750 20 30 CDEDLO C=CC[C@H](CO)NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000492625983 366174313 /nfs/dbraw/zinc/17/43/13/366174313.db2.gz XEPDYERKBFHFJG-WUKHSURWSA-N 1 2 297.358 1.939 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000447405960 356000459 /nfs/dbraw/zinc/00/04/59/356000459.db2.gz RTHYPHZYFNBFIU-LLVKDONJSA-N 1 2 278.400 1.830 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000447405960 356000465 /nfs/dbraw/zinc/00/04/65/356000465.db2.gz RTHYPHZYFNBFIU-LLVKDONJSA-N 1 2 278.400 1.830 20 30 CDEDLO C[C@H](C(=O)NC[C@@](C)(O)C1CC1)[NH+]1CCSCC1 ZINC000328895987 538442830 /nfs/dbraw/zinc/44/28/30/538442830.db2.gz BTSFPQORBICFLP-ZWNOBZJWSA-N 1 2 272.414 1.541 20 30 CDEDLO CCn1nc(C)c(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1C ZINC000570336722 363549383 /nfs/dbraw/zinc/54/93/83/363549383.db2.gz WJTOPHPPXHMMCI-OAHLLOKOSA-N 1 2 291.399 1.022 20 30 CDEDLO CCn1c2ccccc2[nH+]c1CCNc1ncncc1C#N ZINC000578645552 356768682 /nfs/dbraw/zinc/76/86/82/356768682.db2.gz QIYDSGIZTJXUHS-UHFFFAOYSA-N 1 2 292.346 1.794 20 30 CDEDLO C[C@H]1OCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@@H]1C ZINC000156559341 356964209 /nfs/dbraw/zinc/96/42/09/356964209.db2.gz HTCQPPDSQYZOAR-ZIAGYGMSSA-N 1 2 293.411 1.780 20 30 CDEDLO C[C@H]1OCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@@H]1C ZINC000156559341 356964210 /nfs/dbraw/zinc/96/42/10/356964210.db2.gz HTCQPPDSQYZOAR-ZIAGYGMSSA-N 1 2 293.411 1.780 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@H+]1CCN(C)C(=O)C1(C)C ZINC000165497100 357097902 /nfs/dbraw/zinc/09/79/02/357097902.db2.gz VNDVUSAXUKQWPM-UHFFFAOYSA-N 1 2 271.364 1.919 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000165497100 357097904 /nfs/dbraw/zinc/09/79/04/357097904.db2.gz VNDVUSAXUKQWPM-UHFFFAOYSA-N 1 2 271.364 1.919 20 30 CDEDLO N#Cc1ncccc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000290570034 357222826 /nfs/dbraw/zinc/22/28/26/357222826.db2.gz UCLFINABCDZDFK-UHFFFAOYSA-N 1 2 295.346 1.797 20 30 CDEDLO N#CCCN(CCC#N)Cc1cccc2[nH+]ccn21 ZINC000180040474 357238569 /nfs/dbraw/zinc/23/85/69/357238569.db2.gz XWSFXJRRAFYPOZ-UHFFFAOYSA-N 1 2 253.309 1.964 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C[C@H](C#N)CCC#N)C1 ZINC000568408827 357336901 /nfs/dbraw/zinc/33/69/01/357336901.db2.gz ABUYYSKWQYPXGV-QWHCGFSZSA-N 1 2 257.341 1.653 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC(C#N)CC1 ZINC000408063969 357808743 /nfs/dbraw/zinc/80/87/43/357808743.db2.gz YCTIIGDNDMYUAA-NSHDSACASA-N 1 2 261.329 1.217 20 30 CDEDLO CNC(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000335756539 357985432 /nfs/dbraw/zinc/98/54/32/357985432.db2.gz SBTNGTIVUJCWST-UHFFFAOYSA-N 1 2 290.342 1.591 20 30 CDEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H](O)C1 ZINC000286756257 357988296 /nfs/dbraw/zinc/98/82/96/357988296.db2.gz GQYSWUPBUWVMRA-LBPRGKRZSA-N 1 2 281.153 1.887 20 30 CDEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](O)C1 ZINC000286756257 357988300 /nfs/dbraw/zinc/98/83/00/357988300.db2.gz GQYSWUPBUWVMRA-LBPRGKRZSA-N 1 2 281.153 1.887 20 30 CDEDLO CS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000337439082 358037810 /nfs/dbraw/zinc/03/78/10/358037810.db2.gz FDKZNMZJKUTWHF-ZDUSSCGKSA-N 1 2 264.350 1.177 20 30 CDEDLO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000337439082 358037813 /nfs/dbraw/zinc/03/78/13/358037813.db2.gz FDKZNMZJKUTWHF-ZDUSSCGKSA-N 1 2 264.350 1.177 20 30 CDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc(C#N)cc1F ZINC000376183812 291130917 /nfs/dbraw/zinc/13/09/17/291130917.db2.gz DLESQRDDFILCRU-JSGCOSHPSA-N 1 2 289.354 1.997 20 30 CDEDLO Cn1cc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1C#N ZINC000191236539 358121752 /nfs/dbraw/zinc/12/17/52/358121752.db2.gz CHNGSXZCJCKCSN-ZDUSSCGKSA-N 1 2 293.392 1.048 20 30 CDEDLO Cn1cc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1C#N ZINC000191236539 358121756 /nfs/dbraw/zinc/12/17/56/358121756.db2.gz CHNGSXZCJCKCSN-ZDUSSCGKSA-N 1 2 293.392 1.048 20 30 CDEDLO C#CC[N@H+](C)CCCN[C@@H](c1cccs1)c1nnc[nH]1 ZINC000294944305 199263685 /nfs/dbraw/zinc/26/36/85/199263685.db2.gz IFAODCVQVPQWFM-ZDUSSCGKSA-N 1 2 289.408 1.500 20 30 CDEDLO C#CC[N@@H+](C)CCCN[C@@H](c1cccs1)c1nnc[nH]1 ZINC000294944305 199263687 /nfs/dbraw/zinc/26/36/87/199263687.db2.gz IFAODCVQVPQWFM-ZDUSSCGKSA-N 1 2 289.408 1.500 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)c(O)c1)C1CC1 ZINC000341700963 358789740 /nfs/dbraw/zinc/78/97/40/358789740.db2.gz APEYLNBWMFXDLA-AWEZNQCLSA-N 1 2 296.330 1.878 20 30 CDEDLO CCn1cc[nH+]c1/C=C\C(=O)NCC1(CC#N)CC1 ZINC000493661952 366487392 /nfs/dbraw/zinc/48/73/92/366487392.db2.gz YIYJTYFVVZYETL-ARJAWSKDSA-N 1 2 258.325 1.726 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000338112048 358872740 /nfs/dbraw/zinc/87/27/40/358872740.db2.gz VIWAFWUTMLYICO-LBPRGKRZSA-N 1 2 287.363 1.317 20 30 CDEDLO C=CCOCC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000345965055 358961745 /nfs/dbraw/zinc/96/17/45/358961745.db2.gz QUEPENQMNBEDDX-CHWSQXEVSA-N 1 2 263.341 1.495 20 30 CDEDLO CC(C)[C@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000346536689 359024423 /nfs/dbraw/zinc/02/44/23/359024423.db2.gz QWPGOLIIPMBDOK-QWHCGFSZSA-N 1 2 279.384 1.294 20 30 CDEDLO CC(C)[C@H]1C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000346536689 359024425 /nfs/dbraw/zinc/02/44/25/359024425.db2.gz QWPGOLIIPMBDOK-QWHCGFSZSA-N 1 2 279.384 1.294 20 30 CDEDLO CC[NH+]1CCC([N@@H+]2CCCN(CC#CCOC)CC2)CC1 ZINC000643255222 359246373 /nfs/dbraw/zinc/24/63/73/359246373.db2.gz GUGLXMUCXQPFLU-UHFFFAOYSA-N 1 2 293.455 1.128 20 30 CDEDLO C=CCC[C@H](O)C[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000268630570 359362761 /nfs/dbraw/zinc/36/27/61/359362761.db2.gz KHEJXBYEXCVELJ-ZDUSSCGKSA-N 1 2 294.420 1.833 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000270870191 359417306 /nfs/dbraw/zinc/41/73/06/359417306.db2.gz LPVVXALATAIDLI-UHFFFAOYSA-N 1 2 293.411 1.156 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000270870191 359417308 /nfs/dbraw/zinc/41/73/08/359417308.db2.gz LPVVXALATAIDLI-UHFFFAOYSA-N 1 2 293.411 1.156 20 30 CDEDLO C=CCCc1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000272351114 359454759 /nfs/dbraw/zinc/45/47/59/359454759.db2.gz AHUKQLYCPUPWSV-LLVKDONJSA-N 1 2 251.330 1.970 20 30 CDEDLO C=CCCc1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000272351114 359454761 /nfs/dbraw/zinc/45/47/61/359454761.db2.gz AHUKQLYCPUPWSV-LLVKDONJSA-N 1 2 251.330 1.970 20 30 CDEDLO C=C(C)CN(CC)c1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000274733122 359518158 /nfs/dbraw/zinc/51/81/58/359518158.db2.gz HVFQTEHSKHLVDG-UHFFFAOYSA-N 1 2 289.383 1.157 20 30 CDEDLO C=C(C)CN(CC)c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000274733122 359518161 /nfs/dbraw/zinc/51/81/61/359518161.db2.gz HVFQTEHSKHLVDG-UHFFFAOYSA-N 1 2 289.383 1.157 20 30 CDEDLO C#C[C@@H](C)NC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000277520371 359565833 /nfs/dbraw/zinc/56/58/33/359565833.db2.gz RSTQWVRVQKSELP-CYBMUJFWSA-N 1 2 276.384 1.889 20 30 CDEDLO C#C[C@H](C)NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000276862668 359550488 /nfs/dbraw/zinc/55/04/88/359550488.db2.gz KHUDYGAYZBDEHV-ZDUSSCGKSA-N 1 2 287.363 1.662 20 30 CDEDLO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1nncn1C ZINC000275170917 359529817 /nfs/dbraw/zinc/52/98/17/359529817.db2.gz LEXVFYCOMIZFOH-LLVKDONJSA-N 1 2 258.300 1.657 20 30 CDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@](C)(O)C2)c(C#N)c1C ZINC000408348111 359674547 /nfs/dbraw/zinc/67/45/47/359674547.db2.gz ZBMNGHIFPFFSKG-ZUZCIYMTSA-N 1 2 291.351 1.552 20 30 CDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@](C)(O)C2)c(C#N)c1C ZINC000408348111 359674552 /nfs/dbraw/zinc/67/45/52/359674552.db2.gz ZBMNGHIFPFFSKG-ZUZCIYMTSA-N 1 2 291.351 1.552 20 30 CDEDLO CCOCCOC1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000297794384 200282828 /nfs/dbraw/zinc/28/28/28/200282828.db2.gz WXUFQZNGDQNFNM-UHFFFAOYSA-N 1 2 260.337 1.796 20 30 CDEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C)C#N ZINC000335339849 359886900 /nfs/dbraw/zinc/88/69/00/359886900.db2.gz YWYAJXSSPGQQID-SSDOTTSWSA-N 1 2 278.262 1.651 20 30 CDEDLO CC#CCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000355710595 360083899 /nfs/dbraw/zinc/08/38/99/360083899.db2.gz FANHDEAZQKBNMC-AWEZNQCLSA-N 1 2 264.369 1.159 20 30 CDEDLO CC#CCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000355710595 360083905 /nfs/dbraw/zinc/08/39/05/360083905.db2.gz FANHDEAZQKBNMC-AWEZNQCLSA-N 1 2 264.369 1.159 20 30 CDEDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1ccc(F)c(C#N)c1)CC2 ZINC000176906631 189014181 /nfs/dbraw/zinc/01/41/81/189014181.db2.gz KMHZNVVZFMXPKC-UHFFFAOYSA-N 1 2 298.321 1.349 20 30 CDEDLO Cn1nc2c(cc1=O)C[N@H+](Cc1ccc(F)c(C#N)c1)CC2 ZINC000176906631 189014182 /nfs/dbraw/zinc/01/41/82/189014182.db2.gz KMHZNVVZFMXPKC-UHFFFAOYSA-N 1 2 298.321 1.349 20 30 CDEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000093082308 360290034 /nfs/dbraw/zinc/29/00/34/360290034.db2.gz ZLSFMLQCSBJMEH-OAHLLOKOSA-N 1 2 291.347 1.625 20 30 CDEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000093082308 360290036 /nfs/dbraw/zinc/29/00/36/360290036.db2.gz ZLSFMLQCSBJMEH-OAHLLOKOSA-N 1 2 291.347 1.625 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1cccc(F)c1F ZINC000514793345 360380568 /nfs/dbraw/zinc/38/05/68/360380568.db2.gz SNBUSPCURVESDQ-CQSZACIVSA-N 1 2 281.306 1.467 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC000130433294 360472453 /nfs/dbraw/zinc/47/24/53/360472453.db2.gz BMPFEEQVTSQMDI-AWEZNQCLSA-N 1 2 287.363 1.667 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1OC ZINC000130433294 360472459 /nfs/dbraw/zinc/47/24/59/360472459.db2.gz BMPFEEQVTSQMDI-AWEZNQCLSA-N 1 2 287.363 1.667 20 30 CDEDLO C#CCCCCC(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000180265364 189247094 /nfs/dbraw/zinc/24/70/94/189247094.db2.gz DBABHLWGPGSHPQ-CYBMUJFWSA-N 1 2 293.436 1.816 20 30 CDEDLO C[C@@H](C#N)C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000338918391 361128576 /nfs/dbraw/zinc/12/85/76/361128576.db2.gz SZGBKVONUDJPLH-QMMMGPOBSA-N 1 2 257.297 1.727 20 30 CDEDLO CC[N@H+](CC#Cc1ccc(F)cc1)[C@H](C)CS(C)(=O)=O ZINC000151251598 361203300 /nfs/dbraw/zinc/20/33/00/361203300.db2.gz VPPUYDPRXSUEKU-CYBMUJFWSA-N 1 2 297.395 1.932 20 30 CDEDLO CC[N@@H+](CC#Cc1ccc(F)cc1)[C@H](C)CS(C)(=O)=O ZINC000151251598 361203304 /nfs/dbraw/zinc/20/33/04/361203304.db2.gz VPPUYDPRXSUEKU-CYBMUJFWSA-N 1 2 297.395 1.932 20 30 CDEDLO CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C#N)CC1 ZINC000433314179 361233393 /nfs/dbraw/zinc/23/33/93/361233393.db2.gz UEPVGVSFRWYQFI-UHFFFAOYSA-N 1 2 251.374 1.726 20 30 CDEDLO CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C#N)CC1 ZINC000433314179 361233396 /nfs/dbraw/zinc/23/33/96/361233396.db2.gz UEPVGVSFRWYQFI-UHFFFAOYSA-N 1 2 251.374 1.726 20 30 CDEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000367262455 361255260 /nfs/dbraw/zinc/25/52/60/361255260.db2.gz NHQAKEWIPVMAAP-HNNXBMFYSA-N 1 2 287.363 1.237 20 30 CDEDLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000367262455 361255267 /nfs/dbraw/zinc/25/52/67/361255267.db2.gz NHQAKEWIPVMAAP-HNNXBMFYSA-N 1 2 287.363 1.237 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H](CO)c2ccccc2C)nn1 ZINC000653611689 412721352 /nfs/dbraw/zinc/72/13/52/412721352.db2.gz IVGWJUBGNWKQBT-INIZCTEOSA-N 1 2 286.379 1.986 20 30 CDEDLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329483746 361525560 /nfs/dbraw/zinc/52/55/60/361525560.db2.gz FIAXBVUCSIHFEM-RQJABVFESA-N 1 2 280.368 1.231 20 30 CDEDLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329483746 361525564 /nfs/dbraw/zinc/52/55/64/361525564.db2.gz FIAXBVUCSIHFEM-RQJABVFESA-N 1 2 280.368 1.231 20 30 CDEDLO Cc1nn(C)c(C)c1[NH+]=C([O-])N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329504620 361529607 /nfs/dbraw/zinc/52/96/07/361529607.db2.gz IJSPQAFCABTXBD-JTQLQIEISA-N 1 2 288.355 1.643 20 30 CDEDLO Cc1nn(C)c(C)c1[NH+]=C([O-])N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329504620 361529611 /nfs/dbraw/zinc/52/96/11/361529611.db2.gz IJSPQAFCABTXBD-JTQLQIEISA-N 1 2 288.355 1.643 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000184178077 189378778 /nfs/dbraw/zinc/37/87/78/189378778.db2.gz DTJBUYLLDPBZEV-ZIAGYGMSSA-N 1 2 292.379 1.721 20 30 CDEDLO CC1CC(C#N)(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000562605635 361647148 /nfs/dbraw/zinc/64/71/48/361647148.db2.gz HSDKAVUUYACTSW-MHXRYWECSA-N 1 2 293.411 1.494 20 30 CDEDLO CC1CC(C#N)(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000562605635 361647157 /nfs/dbraw/zinc/64/71/57/361647157.db2.gz HSDKAVUUYACTSW-MHXRYWECSA-N 1 2 293.411 1.494 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CCCCS1 ZINC000329669386 361678474 /nfs/dbraw/zinc/67/84/74/361678474.db2.gz SKXFXYCUDYSYAF-JTQLQIEISA-N 1 2 268.386 1.709 20 30 CDEDLO C[C@H]1C[C@]1(C#N)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000448599648 361725707 /nfs/dbraw/zinc/72/57/07/361725707.db2.gz XJKJLOLMDKJNDJ-XJKSGUPXSA-N 1 2 284.363 1.276 20 30 CDEDLO Cc1ncsc1C[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000580714744 363940580 /nfs/dbraw/zinc/94/05/80/363940580.db2.gz AYKBHNDZZYBNQC-UHFFFAOYSA-N 1 2 298.375 1.998 20 30 CDEDLO Cc1ncsc1C[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000580714744 363940586 /nfs/dbraw/zinc/94/05/86/363940586.db2.gz AYKBHNDZZYBNQC-UHFFFAOYSA-N 1 2 298.375 1.998 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1Cl ZINC000042328803 363919638 /nfs/dbraw/zinc/91/96/38/363919638.db2.gz XTXIAYBPYZQPBB-LLVKDONJSA-N 1 2 264.756 1.910 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1Cl ZINC000042328803 363919643 /nfs/dbraw/zinc/91/96/43/363919643.db2.gz XTXIAYBPYZQPBB-LLVKDONJSA-N 1 2 264.756 1.910 20 30 CDEDLO C[C@@H](NC(=O)C1(C#N)CC(C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000532618201 363966585 /nfs/dbraw/zinc/96/65/85/363966585.db2.gz QWNLYNIBJBIRFQ-ICRTXTNUSA-N 1 2 279.384 1.152 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000030543233 363968699 /nfs/dbraw/zinc/96/86/99/363968699.db2.gz ZAFZDVUOZBNJMP-CYBMUJFWSA-N 1 2 287.363 1.003 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000030543233 363968701 /nfs/dbraw/zinc/96/87/01/363968701.db2.gz ZAFZDVUOZBNJMP-CYBMUJFWSA-N 1 2 287.363 1.003 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000192231242 189616934 /nfs/dbraw/zinc/61/69/34/189616934.db2.gz MGPJVHRJKCYQAI-UHFFFAOYSA-N 1 2 296.374 1.096 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000192231242 189616935 /nfs/dbraw/zinc/61/69/35/189616935.db2.gz MGPJVHRJKCYQAI-UHFFFAOYSA-N 1 2 296.374 1.096 20 30 CDEDLO C=CCOCCn1cc(C[NH+]2CCC(OC)CC2)nn1 ZINC000641030270 364854475 /nfs/dbraw/zinc/85/44/75/364854475.db2.gz WOXAWXCUOXCQSH-UHFFFAOYSA-N 1 2 280.372 1.092 20 30 CDEDLO N#CC[N@@H+](C[C@H](O)COC1CCOCC1)C1CCCC1 ZINC000304947978 370810112 /nfs/dbraw/zinc/81/01/12/370810112.db2.gz TUGQKMCBJMHSDW-AWEZNQCLSA-N 1 2 282.384 1.311 20 30 CDEDLO N#CC[N@H+](C[C@H](O)COC1CCOCC1)C1CCCC1 ZINC000304947978 370810121 /nfs/dbraw/zinc/81/01/21/370810121.db2.gz TUGQKMCBJMHSDW-AWEZNQCLSA-N 1 2 282.384 1.311 20 30 CDEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000564728541 365516477 /nfs/dbraw/zinc/51/64/77/365516477.db2.gz CMBACVDIURNCMX-BXUZGUMPSA-N 1 2 285.351 1.600 20 30 CDEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000564728541 365516485 /nfs/dbraw/zinc/51/64/85/365516485.db2.gz CMBACVDIURNCMX-BXUZGUMPSA-N 1 2 285.351 1.600 20 30 CDEDLO C[C@H](O)C[NH+]1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000274981205 366906028 /nfs/dbraw/zinc/90/60/28/366906028.db2.gz BQDJFHXREJZZOS-JTQLQIEISA-N 1 2 281.306 1.339 20 30 CDEDLO C[N@@H+]1CCN(S(=O)(=O)c2cccc(C#N)c2)C(C)(C)C1 ZINC000271020108 366954725 /nfs/dbraw/zinc/95/47/25/366954725.db2.gz JCMHWYAEOLALRW-UHFFFAOYSA-N 1 2 293.392 1.273 20 30 CDEDLO C[N@H+]1CCN(S(=O)(=O)c2cccc(C#N)c2)C(C)(C)C1 ZINC000271020108 366954731 /nfs/dbraw/zinc/95/47/31/366954731.db2.gz JCMHWYAEOLALRW-UHFFFAOYSA-N 1 2 293.392 1.273 20 30 CDEDLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000271071730 366964883 /nfs/dbraw/zinc/96/48/83/366964883.db2.gz LWPHNIJFBULZOQ-LLVKDONJSA-N 1 2 297.380 1.055 20 30 CDEDLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)o1 ZINC000271071730 366964886 /nfs/dbraw/zinc/96/48/86/366964886.db2.gz LWPHNIJFBULZOQ-LLVKDONJSA-N 1 2 297.380 1.055 20 30 CDEDLO C[C@@H](c1cnccn1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000274274117 367025453 /nfs/dbraw/zinc/02/54/53/367025453.db2.gz RWQIFMPPRJYYIS-ZDUSSCGKSA-N 1 2 294.362 1.626 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@]1(C#N)CCOC1 ZINC000358454768 367694837 /nfs/dbraw/zinc/69/48/37/367694837.db2.gz WAQKOBCBOGXSPW-MRXNPFEDSA-N 1 2 298.346 1.534 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ccccc2C)CC1 ZINC000026470154 367740215 /nfs/dbraw/zinc/74/02/15/367740215.db2.gz ULPVBFAZRPEMOZ-HNNXBMFYSA-N 1 2 285.391 1.255 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)NCC(C)(C)C#N ZINC000358623020 367822608 /nfs/dbraw/zinc/82/26/08/367822608.db2.gz BKUZNGBJTAZVHX-UHFFFAOYSA-N 1 2 263.345 1.464 20 30 CDEDLO Cc1ccoc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000154759593 261094774 /nfs/dbraw/zinc/09/47/74/261094774.db2.gz AXFRQCCGGDBTIJ-UHFFFAOYSA-N 1 2 277.368 1.636 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1cnc(C)s1 ZINC000080040872 369905441 /nfs/dbraw/zinc/90/54/41/369905441.db2.gz LPKKNGFTJJFGEV-VIFPVBQESA-N 1 2 253.371 1.574 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1cnc(C)s1 ZINC000080040872 369905444 /nfs/dbraw/zinc/90/54/44/369905444.db2.gz LPKKNGFTJJFGEV-VIFPVBQESA-N 1 2 253.371 1.574 20 30 CDEDLO Cn1ccc2ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc21 ZINC000564868612 370281002 /nfs/dbraw/zinc/28/10/02/370281002.db2.gz VBHTYVBIULQYON-OAHLLOKOSA-N 1 2 286.379 1.797 20 30 CDEDLO Cn1ccc2ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc21 ZINC000564868612 370281008 /nfs/dbraw/zinc/28/10/08/370281008.db2.gz VBHTYVBIULQYON-OAHLLOKOSA-N 1 2 286.379 1.797 20 30 CDEDLO C[C@H](C#N)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000565416956 370441734 /nfs/dbraw/zinc/44/17/34/370441734.db2.gz KPWZHTITFWVESW-SNVBAGLBSA-N 1 2 297.336 1.118 20 30 CDEDLO C#CC[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)C1CCCC1 ZINC000155879398 371027228 /nfs/dbraw/zinc/02/72/28/371027228.db2.gz IAVPNOZHIGMFNV-UHFFFAOYSA-N 1 2 270.336 1.400 20 30 CDEDLO C#CC[N@H+](Cc1cc(=O)n2[nH]ccc2n1)C1CCCC1 ZINC000155879398 371027234 /nfs/dbraw/zinc/02/72/34/371027234.db2.gz IAVPNOZHIGMFNV-UHFFFAOYSA-N 1 2 270.336 1.400 20 30 CDEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000331713360 204097668 /nfs/dbraw/zinc/09/76/68/204097668.db2.gz GMMASDRAORJQDU-BBRMVZONSA-N 1 2 297.362 1.612 20 30 CDEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000331713360 204097671 /nfs/dbraw/zinc/09/76/71/204097671.db2.gz GMMASDRAORJQDU-BBRMVZONSA-N 1 2 297.362 1.612 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000569212736 371243325 /nfs/dbraw/zinc/24/33/25/371243325.db2.gz KXYZECVPWQHREQ-KFWWJZLASA-N 1 2 296.411 1.195 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000569212736 371243330 /nfs/dbraw/zinc/24/33/30/371243330.db2.gz KXYZECVPWQHREQ-KFWWJZLASA-N 1 2 296.411 1.195 20 30 CDEDLO C[C@H](C#N)CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000572788109 371304153 /nfs/dbraw/zinc/30/41/53/371304153.db2.gz LPCJQEAQXAYFMW-GFCCVEGCSA-N 1 2 268.320 1.821 20 30 CDEDLO C[N@@H+]1CCc2ncnc(N3CCC(CCC#N)CC3)c2C1 ZINC000573718146 371636612 /nfs/dbraw/zinc/63/66/12/371636612.db2.gz NQWFNSIOLFGELC-UHFFFAOYSA-N 1 2 285.395 1.985 20 30 CDEDLO C[N@H+]1CCc2ncnc(N3CCC(CCC#N)CC3)c2C1 ZINC000573718146 371636623 /nfs/dbraw/zinc/63/66/23/371636623.db2.gz NQWFNSIOLFGELC-UHFFFAOYSA-N 1 2 285.395 1.985 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000170915585 372043909 /nfs/dbraw/zinc/04/39/09/372043909.db2.gz IYDCLGBONTWVGE-AWEZNQCLSA-N 1 2 274.320 1.574 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000170915585 372043911 /nfs/dbraw/zinc/04/39/11/372043911.db2.gz IYDCLGBONTWVGE-AWEZNQCLSA-N 1 2 274.320 1.574 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCSC[C@H]1C(=O)OCC ZINC000579182308 372554512 /nfs/dbraw/zinc/55/45/12/372554512.db2.gz MULFKNLGSBXSNE-NEPJUHHUSA-N 1 2 273.398 1.294 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCSC[C@H]1C(=O)OCC ZINC000579182308 372554516 /nfs/dbraw/zinc/55/45/16/372554516.db2.gz MULFKNLGSBXSNE-NEPJUHHUSA-N 1 2 273.398 1.294 20 30 CDEDLO O=C1NC[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)CCN12 ZINC000175917458 372712501 /nfs/dbraw/zinc/71/25/01/372712501.db2.gz FHNWFVNMSPGERX-CQSZACIVSA-N 1 2 289.766 1.401 20 30 CDEDLO O=C1NC[C@@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)CCN12 ZINC000175917458 372712504 /nfs/dbraw/zinc/71/25/04/372712504.db2.gz FHNWFVNMSPGERX-CQSZACIVSA-N 1 2 289.766 1.401 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000653944778 412800824 /nfs/dbraw/zinc/80/08/24/412800824.db2.gz NJYOGTHMCIZWKR-XQQFMLRXSA-N 1 2 275.352 1.295 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H](CO)O1 ZINC000190103288 373326090 /nfs/dbraw/zinc/32/60/90/373326090.db2.gz ZJCIQRFFOAWLLF-ZWNOBZJWSA-N 1 2 264.300 1.279 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H](CO)O1 ZINC000190103288 373326103 /nfs/dbraw/zinc/32/61/03/373326103.db2.gz ZJCIQRFFOAWLLF-ZWNOBZJWSA-N 1 2 264.300 1.279 20 30 CDEDLO Cc1nc(CN2CC[NH+](Cc3cccc(C#N)c3)CC2)no1 ZINC000074291619 374125554 /nfs/dbraw/zinc/12/55/54/374125554.db2.gz OPIHGUYTPFOEHG-UHFFFAOYSA-N 1 2 297.362 1.568 20 30 CDEDLO CC#CCNC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000342418176 374145390 /nfs/dbraw/zinc/14/53/90/374145390.db2.gz WHSAUJMSRYTOFO-UHFFFAOYSA-N 1 2 268.320 1.695 20 30 CDEDLO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000411912636 374187483 /nfs/dbraw/zinc/18/74/83/374187483.db2.gz PXKMLHZNSIBDLJ-RYUDHWBXSA-N 1 2 291.307 1.048 20 30 CDEDLO COC[C@@H]1C[C@H](O)C[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000411912636 374187492 /nfs/dbraw/zinc/18/74/92/374187492.db2.gz PXKMLHZNSIBDLJ-RYUDHWBXSA-N 1 2 291.307 1.048 20 30 CDEDLO COCC[NH+]1CCN(c2ncc(C#N)cc2Cl)CC1 ZINC000114708661 374344174 /nfs/dbraw/zinc/34/41/74/374344174.db2.gz FXNVVRCDOGYCHA-UHFFFAOYSA-N 1 2 280.759 1.375 20 30 CDEDLO N#CCCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342643513 374360463 /nfs/dbraw/zinc/36/04/63/374360463.db2.gz FXCKQKCYEDHBQB-UHFFFAOYSA-N 1 2 254.293 1.906 20 30 CDEDLO CCOC(=O)C[N@H+](CCOC)Cc1ccc(CC#N)cc1 ZINC000342762202 374510528 /nfs/dbraw/zinc/51/05/28/374510528.db2.gz YJWHVHHOGSEIFC-UHFFFAOYSA-N 1 2 290.363 1.764 20 30 CDEDLO CCOC(=O)C[N@@H+](CCOC)Cc1ccc(CC#N)cc1 ZINC000342762202 374510533 /nfs/dbraw/zinc/51/05/33/374510533.db2.gz YJWHVHHOGSEIFC-UHFFFAOYSA-N 1 2 290.363 1.764 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(F)cn3)CC2)nc1 ZINC000276322699 374728256 /nfs/dbraw/zinc/72/82/56/374728256.db2.gz FMNSMVQXDSSNSF-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)C[C@H](C)N1CCO ZINC000449540329 374821597 /nfs/dbraw/zinc/82/15/97/374821597.db2.gz XEODRAAYMULDGU-TXEJJXNPSA-N 1 2 279.409 1.507 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)C[C@H](C)N1CCO ZINC000449540329 374821605 /nfs/dbraw/zinc/82/16/05/374821605.db2.gz XEODRAAYMULDGU-TXEJJXNPSA-N 1 2 279.409 1.507 20 30 CDEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CC[S@](=O)C1 ZINC000277368865 374783776 /nfs/dbraw/zinc/78/37/76/374783776.db2.gz FOWIGTBEGWXQRZ-SGTLLEGYSA-N 1 2 262.378 1.759 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[S@](=O)C1 ZINC000277368865 374783781 /nfs/dbraw/zinc/78/37/81/374783781.db2.gz FOWIGTBEGWXQRZ-SGTLLEGYSA-N 1 2 262.378 1.759 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(C#N)cc3)C[C@H]21 ZINC000329967308 374834565 /nfs/dbraw/zinc/83/45/65/374834565.db2.gz WBLKDHHRLRJEBT-KGLIPLIRSA-N 1 2 286.335 1.105 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(C#N)cc3)C[C@H]21 ZINC000329967308 374834577 /nfs/dbraw/zinc/83/45/77/374834577.db2.gz WBLKDHHRLRJEBT-KGLIPLIRSA-N 1 2 286.335 1.105 20 30 CDEDLO CCOCC[NH+]1CCN(C(=O)c2cc(C#N)oc2C)CC1 ZINC000280734431 375018964 /nfs/dbraw/zinc/01/89/64/375018964.db2.gz WCYZZFIXBOFLRM-UHFFFAOYSA-N 1 2 291.351 1.254 20 30 CDEDLO Cc1cc(N2CC[C@@H](NC(=O)NC3CC3)C2)c(C#N)c[nH+]1 ZINC000333537672 375089231 /nfs/dbraw/zinc/08/92/31/375089231.db2.gz ZHIODIIKFABYJS-CYBMUJFWSA-N 1 2 285.351 1.302 20 30 CDEDLO N#Cc1cccc(CCNC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000493258087 375431713 /nfs/dbraw/zinc/43/17/13/375431713.db2.gz QGSDDPZMYWRBCF-PLNGDYQASA-N 1 2 266.304 1.653 20 30 CDEDLO C[C@H]1CC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)=NO1 ZINC000359875364 375474700 /nfs/dbraw/zinc/47/47/00/375474700.db2.gz SXHBLYQXHQDYNK-WCQYABFASA-N 1 2 288.351 1.285 20 30 CDEDLO C[C@H]1CC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)=NO1 ZINC000359875364 375474704 /nfs/dbraw/zinc/47/47/04/375474704.db2.gz SXHBLYQXHQDYNK-WCQYABFASA-N 1 2 288.351 1.285 20 30 CDEDLO CNc1[nH+]cnc2c1cnn2Cc1cccc(F)c1C#N ZINC000427565197 247161268 /nfs/dbraw/zinc/16/12/68/247161268.db2.gz MMXLIPGQTBGUKN-UHFFFAOYSA-N 1 2 282.282 1.927 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@H]2CCCO2)C1 ZINC000328773640 375953168 /nfs/dbraw/zinc/95/31/68/375953168.db2.gz KABIOMOBARNHHK-VXGBXAGGSA-N 1 2 278.356 1.302 20 30 CDEDLO NC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000328938055 376013864 /nfs/dbraw/zinc/01/38/64/376013864.db2.gz RKXHFBIBQOEECR-LLVKDONJSA-N 1 2 280.372 1.288 20 30 CDEDLO NC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000328938055 376013871 /nfs/dbraw/zinc/01/38/71/376013871.db2.gz RKXHFBIBQOEECR-LLVKDONJSA-N 1 2 280.372 1.288 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000330546207 376215183 /nfs/dbraw/zinc/21/51/83/376215183.db2.gz VFSCMBWZURBDOT-AGIUHOORSA-N 1 2 294.399 1.630 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000330546207 376215185 /nfs/dbraw/zinc/21/51/85/376215185.db2.gz VFSCMBWZURBDOT-AGIUHOORSA-N 1 2 294.399 1.630 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(F)c(C#N)c1 ZINC000330595833 376287103 /nfs/dbraw/zinc/28/71/03/376287103.db2.gz BYTBEIYVXKERFV-NSHDSACASA-N 1 2 291.326 1.723 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(F)c(C#N)c1 ZINC000330595833 376287105 /nfs/dbraw/zinc/28/71/05/376287105.db2.gz BYTBEIYVXKERFV-NSHDSACASA-N 1 2 291.326 1.723 20 30 CDEDLO C[C@H]1C[N@H+](CCCOc2cccc(C#N)c2)CC(=O)N1 ZINC000296037430 376808256 /nfs/dbraw/zinc/80/82/56/376808256.db2.gz BETJGOSNMBQLCJ-LBPRGKRZSA-N 1 2 273.336 1.147 20 30 CDEDLO C[C@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CC(=O)N1 ZINC000296037430 376808261 /nfs/dbraw/zinc/80/82/61/376808261.db2.gz BETJGOSNMBQLCJ-LBPRGKRZSA-N 1 2 273.336 1.147 20 30 CDEDLO CN(C)C(=O)C[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000129007596 377343209 /nfs/dbraw/zinc/34/32/09/377343209.db2.gz XLCNBAUIYYCXND-UHFFFAOYSA-N 1 2 264.756 1.712 20 30 CDEDLO CN(C)C(=O)C[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000129007596 377343222 /nfs/dbraw/zinc/34/32/22/377343222.db2.gz XLCNBAUIYYCXND-UHFFFAOYSA-N 1 2 264.756 1.712 20 30 CDEDLO C#CCOc1ccccc1CNC(=O)NCCn1cc[nH+]c1 ZINC000265191020 190164815 /nfs/dbraw/zinc/16/48/15/190164815.db2.gz OKDKNYUQBOVOAN-UHFFFAOYSA-N 1 2 298.346 1.395 20 30 CDEDLO C=C(C)CS(=O)(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000280484430 377954889 /nfs/dbraw/zinc/95/48/89/377954889.db2.gz AXTGXHSXTCADIX-UHFFFAOYSA-N 1 2 279.365 1.638 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1[nH+]ccn1C ZINC000280610600 377968110 /nfs/dbraw/zinc/96/81/10/377968110.db2.gz AVVFBOUOGKBMSE-AAEUAGOBSA-N 1 2 278.356 1.201 20 30 CDEDLO CC[N@H+](CC#Cc1ccc(F)cc1)[C@H]1CCNC1=O ZINC000282363630 378033560 /nfs/dbraw/zinc/03/35/60/378033560.db2.gz NLUJPMLLRVCIMI-AWEZNQCLSA-N 1 2 260.312 1.388 20 30 CDEDLO CC[N@@H+](CC#Cc1ccc(F)cc1)[C@H]1CCNC1=O ZINC000282363630 378033565 /nfs/dbraw/zinc/03/35/65/378033565.db2.gz NLUJPMLLRVCIMI-AWEZNQCLSA-N 1 2 260.312 1.388 20 30 CDEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(C#N)CC1)C1CC1 ZINC000060893818 378108831 /nfs/dbraw/zinc/10/88/31/378108831.db2.gz SZRYZFZJNCIZHE-CQSZACIVSA-N 1 2 260.341 1.030 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633206641 378207866 /nfs/dbraw/zinc/20/78/66/378207866.db2.gz AXRIGISRRAVRMW-WCQYABFASA-N 1 2 278.356 1.532 20 30 CDEDLO C#CCN(Cc1ccccc1)C(=O)CCn1cc[nH+]c1 ZINC000286602111 378221947 /nfs/dbraw/zinc/22/19/47/378221947.db2.gz SPQFJBFDEPBFQM-UHFFFAOYSA-N 1 2 267.332 1.935 20 30 CDEDLO CC#CC[N@H+](C)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000292899811 378523616 /nfs/dbraw/zinc/52/36/16/378523616.db2.gz AGCZLXBSSUZVKC-HNNXBMFYSA-N 1 2 295.404 1.253 20 30 CDEDLO CC#CC[N@@H+](C)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000292899811 378523619 /nfs/dbraw/zinc/52/36/19/378523619.db2.gz AGCZLXBSSUZVKC-HNNXBMFYSA-N 1 2 295.404 1.253 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000293253547 378550185 /nfs/dbraw/zinc/55/01/85/378550185.db2.gz UAVRMVDWZUNXJL-UHFFFAOYSA-N 1 2 255.321 1.130 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000293253547 378550192 /nfs/dbraw/zinc/55/01/92/378550192.db2.gz UAVRMVDWZUNXJL-UHFFFAOYSA-N 1 2 255.321 1.130 20 30 CDEDLO C#CCO[C@@H](C)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000295701910 378695327 /nfs/dbraw/zinc/69/53/27/378695327.db2.gz CCYVKGGABFWKQC-ZDUSSCGKSA-N 1 2 297.358 1.801 20 30 CDEDLO C=CCOCCCC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000266277361 190245552 /nfs/dbraw/zinc/24/55/52/190245552.db2.gz SNICCDKSARFNNP-UHFFFAOYSA-N 1 2 277.368 1.747 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000343916981 379017283 /nfs/dbraw/zinc/01/72/83/379017283.db2.gz REBBCXMDCMABOC-CYBMUJFWSA-N 1 2 266.385 1.592 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000343916981 379017288 /nfs/dbraw/zinc/01/72/88/379017288.db2.gz REBBCXMDCMABOC-CYBMUJFWSA-N 1 2 266.385 1.592 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc(C#N)c[nH]1 ZINC000175148343 379642546 /nfs/dbraw/zinc/64/25/46/379642546.db2.gz XVPFDMQQPUSXFB-UHFFFAOYSA-N 1 2 293.330 1.975 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)C(F)(F)C(F)F)CC1 ZINC000267242408 190314417 /nfs/dbraw/zinc/31/44/17/190314417.db2.gz IYVSZXQBJFPTQL-UHFFFAOYSA-N 1 2 266.238 1.054 20 30 CDEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@H]3COCCO3)CCO2)c1 ZINC000450652195 251390406 /nfs/dbraw/zinc/39/04/06/251390406.db2.gz UOUIMYBJFDHART-JKSUJKDBSA-N 1 2 288.347 1.347 20 30 CDEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@H]3COCCO3)CCO2)c1 ZINC000450652195 251390410 /nfs/dbraw/zinc/39/04/10/251390410.db2.gz UOUIMYBJFDHART-JKSUJKDBSA-N 1 2 288.347 1.347 20 30 CDEDLO C[C@@H](NC(=O)c1ccc(C#N)s1)[C@H](C)[NH+]1CCOCC1 ZINC000487306534 252884793 /nfs/dbraw/zinc/88/47/93/252884793.db2.gz OSCYAFPRVBBCDN-MNOVXSKESA-N 1 2 293.392 1.459 20 30 CDEDLO CCn1cc[nH+]c1C=CC(=O)Nc1ccncc1C#N ZINC000492451379 253223030 /nfs/dbraw/zinc/22/30/30/253223030.db2.gz XVRYFXRFWMZBRM-ARJAWSKDSA-N 1 2 267.292 1.243 20 30 CDEDLO O=C(NC[C@@H]1COCCO1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329231395 227368983 /nfs/dbraw/zinc/36/89/83/227368983.db2.gz FFYQMKIDQOVIGO-KGLIPLIRSA-N 1 2 298.383 1.002 20 30 CDEDLO O=C(NC[C@@H]1COCCO1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329231395 227368988 /nfs/dbraw/zinc/36/89/88/227368988.db2.gz FFYQMKIDQOVIGO-KGLIPLIRSA-N 1 2 298.383 1.002 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CC[C@H](C)OC ZINC001663166558 1172648984 /nfs/dbraw/zinc/64/89/84/1172648984.db2.gz OMWQVTGKRJSRRQ-NSHDSACASA-N 1 2 262.781 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CC[C@H](C)OC ZINC001663166558 1172648987 /nfs/dbraw/zinc/64/89/87/1172648987.db2.gz OMWQVTGKRJSRRQ-NSHDSACASA-N 1 2 262.781 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1c(C)ccn1C ZINC001663171537 1172649980 /nfs/dbraw/zinc/64/99/80/1172649980.db2.gz NKVCLPFAWDZNFO-UHFFFAOYSA-N 1 2 269.776 1.748 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1c(C)ccn1C ZINC001663171537 1172649984 /nfs/dbraw/zinc/64/99/84/1172649984.db2.gz NKVCLPFAWDZNFO-UHFFFAOYSA-N 1 2 269.776 1.748 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)c(Cl)c1 ZINC000162862331 390472736 /nfs/dbraw/zinc/47/27/36/390472736.db2.gz QPBGVIITXURPQC-GFCCVEGCSA-N 1 2 263.728 1.661 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c(Cl)c1 ZINC000162862331 390472740 /nfs/dbraw/zinc/47/27/40/390472740.db2.gz QPBGVIITXURPQC-GFCCVEGCSA-N 1 2 263.728 1.661 20 30 CDEDLO N#CC1(C(=O)NCCCNc2cccc[nH+]2)CCOCC1 ZINC000136169960 390941065 /nfs/dbraw/zinc/94/10/65/390941065.db2.gz PWWWBTHEBYMBIU-UHFFFAOYSA-N 1 2 288.351 1.320 20 30 CDEDLO C=C(C)CN(C)C(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000410447760 390906122 /nfs/dbraw/zinc/90/61/22/390906122.db2.gz MSVNSLGXBKSNOQ-LBPRGKRZSA-N 1 2 290.367 1.498 20 30 CDEDLO CC1(C)CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1C#N ZINC000373084861 391105203 /nfs/dbraw/zinc/10/52/03/391105203.db2.gz VWGHXGOXQNRAIU-OLZOCXBDSA-N 1 2 286.379 1.986 20 30 CDEDLO Cc1ncsc1C[NH+]=C([O-])N1CCn2c[nH+]cc2C1 ZINC000329624771 391041448 /nfs/dbraw/zinc/04/14/48/391041448.db2.gz SMOCHDGCDSCRKJ-UHFFFAOYSA-N 1 2 277.353 1.578 20 30 CDEDLO COC(=O)c1ccccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414161318 391115096 /nfs/dbraw/zinc/11/50/96/391115096.db2.gz KGILZTOILBMOFO-GFCCVEGCSA-N 1 2 292.335 1.058 20 30 CDEDLO COC(=O)c1ccccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414161318 391115101 /nfs/dbraw/zinc/11/51/01/391115101.db2.gz KGILZTOILBMOFO-GFCCVEGCSA-N 1 2 292.335 1.058 20 30 CDEDLO C#CC[N@@H+](CC(=O)N[C@@H]1CCOc2ccccc21)C1CC1 ZINC000491440069 391130898 /nfs/dbraw/zinc/13/08/98/391130898.db2.gz NHRVEQLNZQBHHD-OAHLLOKOSA-N 1 2 284.359 1.724 20 30 CDEDLO C#CC[N@H+](CC(=O)N[C@@H]1CCOc2ccccc21)C1CC1 ZINC000491440069 391130900 /nfs/dbraw/zinc/13/09/00/391130900.db2.gz NHRVEQLNZQBHHD-OAHLLOKOSA-N 1 2 284.359 1.724 20 30 CDEDLO C[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)C[C@]2(CCOC2)O1 ZINC000373795616 391131991 /nfs/dbraw/zinc/13/19/91/391131991.db2.gz FLTDQWWXVMBLTB-MCIONIFRSA-N 1 2 263.341 1.310 20 30 CDEDLO C[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)C[C@]2(CCOC2)O1 ZINC000373795616 391131994 /nfs/dbraw/zinc/13/19/94/391131994.db2.gz FLTDQWWXVMBLTB-MCIONIFRSA-N 1 2 263.341 1.310 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCCCC[C@@H]2C(=O)OC)C1=O ZINC000374158295 391151839 /nfs/dbraw/zinc/15/18/39/391151839.db2.gz CDPJADOLMUFJAI-CHWSQXEVSA-N 1 2 280.368 1.191 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCCCC[C@@H]2C(=O)OC)C1=O ZINC000374158295 391151842 /nfs/dbraw/zinc/15/18/42/391151842.db2.gz CDPJADOLMUFJAI-CHWSQXEVSA-N 1 2 280.368 1.191 20 30 CDEDLO COCc1noc(CO[NH+]=C(N)c2ccc(F)c(F)c2)n1 ZINC000183175351 391255209 /nfs/dbraw/zinc/25/52/09/391255209.db2.gz HRAFXBNRUAZSLP-UHFFFAOYSA-N 1 2 298.249 1.331 20 30 CDEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC2(C#N)CCC2)C1 ZINC000331947051 391273242 /nfs/dbraw/zinc/27/32/42/391273242.db2.gz KBXQABSKHFXDDW-LBPRGKRZSA-N 1 2 285.413 1.036 20 30 CDEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CC2(C#N)CCC2)C1 ZINC000331947051 391273247 /nfs/dbraw/zinc/27/32/47/391273247.db2.gz KBXQABSKHFXDDW-LBPRGKRZSA-N 1 2 285.413 1.036 20 30 CDEDLO CCOC(=O)C[C@H](C)C/[NH+]=C/c1ccc(O)c(O)c1O ZINC000270504940 391276254 /nfs/dbraw/zinc/27/62/54/391276254.db2.gz QDFPYXXHAAAFCI-HVIDBACLSA-N 1 2 281.308 1.812 20 30 CDEDLO COC(=O)CCn1nc(C)c(C[N@H+](C)C[C@@H](C)C#N)c1C ZINC000271121444 391288135 /nfs/dbraw/zinc/28/81/35/391288135.db2.gz IGGODGNQSHUPTJ-NSHDSACASA-N 1 2 292.383 1.655 20 30 CDEDLO COC(=O)CCn1nc(C)c(C[N@@H+](C)C[C@@H](C)C#N)c1C ZINC000271121444 391288140 /nfs/dbraw/zinc/28/81/40/391288140.db2.gz IGGODGNQSHUPTJ-NSHDSACASA-N 1 2 292.383 1.655 20 30 CDEDLO O=C(NCC#CCO)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000339398430 391295187 /nfs/dbraw/zinc/29/51/87/391295187.db2.gz UMLYRCUJEFIJAL-UHFFFAOYSA-N 1 2 282.299 1.599 20 30 CDEDLO C=CC[C@H](CC)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000346264641 391346219 /nfs/dbraw/zinc/34/62/19/391346219.db2.gz OBGOABHHQHPOBM-ILXRZTDVSA-N 1 2 295.427 1.846 20 30 CDEDLO CN(C)C(=O)NCC[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000330616291 391459135 /nfs/dbraw/zinc/45/91/35/391459135.db2.gz DLKUFIYXCFCMAT-UHFFFAOYSA-N 1 2 298.431 1.185 20 30 CDEDLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000330616291 391459136 /nfs/dbraw/zinc/45/91/36/391459136.db2.gz DLKUFIYXCFCMAT-UHFFFAOYSA-N 1 2 298.431 1.185 20 30 CDEDLO C=C(C)COCCNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000354402553 391417966 /nfs/dbraw/zinc/41/79/66/391417966.db2.gz HUZBPYZZJIHAIG-UHFFFAOYSA-N 1 2 292.383 1.540 20 30 CDEDLO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccon1 ZINC000349235728 391538151 /nfs/dbraw/zinc/53/81/51/391538151.db2.gz GDHBRCMVOVOVJD-NSHDSACASA-N 1 2 276.340 1.668 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccon1 ZINC000349234696 391538660 /nfs/dbraw/zinc/53/86/60/391538660.db2.gz AVZIJLWBPQZGMW-VXGBXAGGSA-N 1 2 263.341 1.914 20 30 CDEDLO CC(C)[C@@H](C(=O)NCC(C)(C)C#N)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000359644183 391607769 /nfs/dbraw/zinc/60/77/69/391607769.db2.gz DYDRMWXPEXAISS-MCIONIFRSA-N 1 2 295.427 1.786 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000362221323 391715774 /nfs/dbraw/zinc/71/57/74/391715774.db2.gz MOVLPGPSSLSYQT-HOCLYGCPSA-N 1 2 298.427 1.394 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)CCCC#N)CCC2 ZINC000360375893 391657659 /nfs/dbraw/zinc/65/76/59/391657659.db2.gz KYKKTSAVMCGLJJ-GFCCVEGCSA-N 1 2 260.341 1.879 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2c2nc(C)no2)C1=O ZINC000285488132 391717475 /nfs/dbraw/zinc/71/74/75/391717475.db2.gz BYPSURHFWXTXLA-NEPJUHHUSA-N 1 2 276.340 1.302 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2c2nc(C)no2)C1=O ZINC000285488132 391717478 /nfs/dbraw/zinc/71/74/78/391717478.db2.gz BYPSURHFWXTXLA-NEPJUHHUSA-N 1 2 276.340 1.302 20 30 CDEDLO N#CCSCCC[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360630621 391666464 /nfs/dbraw/zinc/66/64/64/391666464.db2.gz XDULGSJFAIUJLJ-UHFFFAOYSA-N 1 2 289.404 1.982 20 30 CDEDLO N#CCSCCC[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360630621 391666468 /nfs/dbraw/zinc/66/64/68/391666468.db2.gz XDULGSJFAIUJLJ-UHFFFAOYSA-N 1 2 289.404 1.982 20 30 CDEDLO C=CCN(CCOC)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000361075690 391679861 /nfs/dbraw/zinc/67/98/61/391679861.db2.gz ILUUTAJHFISRAS-LBPRGKRZSA-N 1 2 263.341 1.107 20 30 CDEDLO O=C(Nc1cncnc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329852415 391790260 /nfs/dbraw/zinc/79/02/60/391790260.db2.gz UQOFYNQOBOUXHD-UHFFFAOYSA-N 1 2 272.312 1.625 20 30 CDEDLO O=C(Nc1cncnc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329852415 391790261 /nfs/dbraw/zinc/79/02/61/391790261.db2.gz UQOFYNQOBOUXHD-UHFFFAOYSA-N 1 2 272.312 1.625 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)N1CCC[C@](C)(C#N)C1 ZINC000590098422 391833135 /nfs/dbraw/zinc/83/31/35/391833135.db2.gz UCQXNTABEKYVTA-OAHLLOKOSA-N 1 2 288.351 1.925 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)c1 ZINC000495800649 391916024 /nfs/dbraw/zinc/91/60/24/391916024.db2.gz NBUDROXYIISFJA-CYBMUJFWSA-N 1 2 289.310 1.724 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CCN3C(=O)OCC[C@@H]3C2)c1 ZINC000495800649 391916028 /nfs/dbraw/zinc/91/60/28/391916028.db2.gz NBUDROXYIISFJA-CYBMUJFWSA-N 1 2 289.310 1.724 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000342989968 392073470 /nfs/dbraw/zinc/07/34/70/392073470.db2.gz IUIVPEJFZNEZHU-UONOGXRCSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000342989968 392073477 /nfs/dbraw/zinc/07/34/77/392073477.db2.gz IUIVPEJFZNEZHU-UONOGXRCSA-N 1 2 283.416 1.751 20 30 CDEDLO C[C@H]1CSCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000172590578 392176549 /nfs/dbraw/zinc/17/65/49/392176549.db2.gz PKIFBNOQVQRDQR-GWCFXTLKSA-N 1 2 267.398 1.232 20 30 CDEDLO C[C@H]1CSCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000172590578 392176550 /nfs/dbraw/zinc/17/65/50/392176550.db2.gz PKIFBNOQVQRDQR-GWCFXTLKSA-N 1 2 267.398 1.232 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000448566101 392423332 /nfs/dbraw/zinc/42/33/32/392423332.db2.gz PVEVWEHDFMIAQL-UHFFFAOYSA-N 1 2 295.346 1.552 20 30 CDEDLO COCCCOC1C[NH+](Cc2cc(C#N)n(C)c2)C1 ZINC000459593135 392487976 /nfs/dbraw/zinc/48/79/76/392487976.db2.gz NNZVUSBJHUJCED-UHFFFAOYSA-N 1 2 263.341 1.134 20 30 CDEDLO C=C[C@H](O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000646686854 392655100 /nfs/dbraw/zinc/65/51/00/392655100.db2.gz AMGARMVOMLAAHX-ZDUSSCGKSA-N 1 2 275.352 1.235 20 30 CDEDLO Cc1cc(N2CCCN(C(=O)C(C)C)CC2)c(C#N)c[nH+]1 ZINC000516763319 392813930 /nfs/dbraw/zinc/81/39/30/392813930.db2.gz PVYQIQJWYRUFCN-UHFFFAOYSA-N 1 2 286.379 1.956 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2cccc(C#N)n2)C1 ZINC000519640858 392847693 /nfs/dbraw/zinc/84/76/93/392847693.db2.gz FIMFQRNAKASPHD-NSHDSACASA-N 1 2 296.334 1.708 20 30 CDEDLO C[C@@H]1C[N@H+](CCNc2ccc(C#N)cc2[N+](=O)[O-])CCO1 ZINC000523079155 392882307 /nfs/dbraw/zinc/88/23/07/392882307.db2.gz JQZGYXXAUQMJCI-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNc2ccc(C#N)cc2[N+](=O)[O-])CCO1 ZINC000523079155 392882310 /nfs/dbraw/zinc/88/23/10/392882310.db2.gz JQZGYXXAUQMJCI-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO Cc1cc(N2CCC[C@@H](CC(N)=O)C2)c(C#N)c[nH+]1 ZINC000425238553 393000286 /nfs/dbraw/zinc/00/02/86/393000286.db2.gz VAYFCNZOCAYQMV-NSHDSACASA-N 1 2 258.325 1.354 20 30 CDEDLO Cc1cc(N2CCC(Cn3ccnn3)CC2)c(C#N)c[nH+]1 ZINC000425249835 393004926 /nfs/dbraw/zinc/00/49/26/393004926.db2.gz UVFDWSHLNHSEQR-UHFFFAOYSA-N 1 2 282.351 1.770 20 30 CDEDLO Cc1cc[nH+]c(NCCn2cnc(C#N)n2)c1Cl ZINC000343523610 152210118 /nfs/dbraw/zinc/21/01/18/152210118.db2.gz UFJCRDXXJUPMTP-UHFFFAOYSA-N 1 2 262.704 1.619 20 30 CDEDLO N#Cc1ccc(C[NH2+]Cc2nnnn2-c2ccccc2)s1 ZINC000343894331 152343413 /nfs/dbraw/zinc/34/34/13/152343413.db2.gz ROJFAIZBERINSL-UHFFFAOYSA-N 1 2 296.359 1.885 20 30 CDEDLO C[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000343992274 152382105 /nfs/dbraw/zinc/38/21/05/152382105.db2.gz URDXTYOGJLROPX-LBPRGKRZSA-N 1 2 293.392 1.459 20 30 CDEDLO C[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000343992274 152382106 /nfs/dbraw/zinc/38/21/06/152382106.db2.gz URDXTYOGJLROPX-LBPRGKRZSA-N 1 2 293.392 1.459 20 30 CDEDLO N#Cc1cc(C(=O)NCCNc2cccc[nH+]2)c[nH]1 ZINC000346663537 153263153 /nfs/dbraw/zinc/26/31/53/153263153.db2.gz AKNHFLADLAYKGU-UHFFFAOYSA-N 1 2 255.281 1.123 20 30 CDEDLO Cc1onc(CC(=O)N(C)CCCn2cc[nH+]c2)c1C#N ZINC000353881202 156140748 /nfs/dbraw/zinc/14/07/48/156140748.db2.gz MQAJFYUWLBDJHE-UHFFFAOYSA-N 1 2 287.323 1.142 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)NCCc1cccc(C#N)c1 ZINC000358834862 158046169 /nfs/dbraw/zinc/04/61/69/158046169.db2.gz WXKZTIOZIYTPGU-UHFFFAOYSA-N 1 2 283.335 1.334 20 30 CDEDLO COC(=O)[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000285134434 196203938 /nfs/dbraw/zinc/20/39/38/196203938.db2.gz SNXARRFEJRKRKD-ZIAGYGMSSA-N 1 2 274.320 1.133 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664809684 413666376 /nfs/dbraw/zinc/66/63/76/413666376.db2.gz JNDGZJZTQNXVND-MJBXVCDLSA-N 1 2 283.416 1.750 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664809684 413666386 /nfs/dbraw/zinc/66/63/86/413666386.db2.gz JNDGZJZTQNXVND-MJBXVCDLSA-N 1 2 283.416 1.750 20 30 CDEDLO C=CC[N@H+](Cc1ncnn1CC(C)C)[C@@H](C)COC ZINC000661240874 413912893 /nfs/dbraw/zinc/91/28/93/413912893.db2.gz SLPUMCKNSQZBAE-ZDUSSCGKSA-N 1 2 266.389 1.957 20 30 CDEDLO C=CC[N@@H+](Cc1ncnn1CC(C)C)[C@@H](C)COC ZINC000661240874 413912901 /nfs/dbraw/zinc/91/29/01/413912901.db2.gz SLPUMCKNSQZBAE-ZDUSSCGKSA-N 1 2 266.389 1.957 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1nc(-c2ccsc2)no1 ZINC000662167551 414547947 /nfs/dbraw/zinc/54/79/47/414547947.db2.gz IYUGHTISFHPEMJ-SECBINFHSA-N 1 2 251.311 1.435 20 30 CDEDLO N#CCCN(Cc1ccccn1)C(=O)CCc1[nH]cc[nH+]1 ZINC000346329613 225769814 /nfs/dbraw/zinc/76/98/14/225769814.db2.gz GJYSXFTZMWQPFW-UHFFFAOYSA-N 1 2 283.335 1.680 20 30 CDEDLO CN(C)[C@H](C(=O)Nc1nncn1C1CC1)c1c[nH+]cn1C ZINC000329105750 227299961 /nfs/dbraw/zinc/29/99/61/227299961.db2.gz HFTXTMSVGZSJRD-NSHDSACASA-N 1 2 289.343 1.237 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1CCC(=O)[C@@H]1C ZINC000330026456 228020169 /nfs/dbraw/zinc/02/01/69/228020169.db2.gz LKVXVKHQFPGGEG-UPJWGTAASA-N 1 2 282.384 1.669 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)NCC2CC2)CCO1 ZINC000330036836 228023297 /nfs/dbraw/zinc/02/32/97/228023297.db2.gz CVAVPKGDTFNVJB-AAEUAGOBSA-N 1 2 278.356 1.554 20 30 CDEDLO C[C@@H]1COCC[C@@H]1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000330318707 228140681 /nfs/dbraw/zinc/14/06/81/228140681.db2.gz CPSOTMXVTPNEBY-AGIUHOORSA-N 1 2 292.383 1.548 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000333390532 228199428 /nfs/dbraw/zinc/19/94/28/228199428.db2.gz LZGKEMPPLQQNSJ-HBNTYKKESA-N 1 2 273.340 1.258 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000333390532 228199429 /nfs/dbraw/zinc/19/94/29/228199429.db2.gz LZGKEMPPLQQNSJ-HBNTYKKESA-N 1 2 273.340 1.258 20 30 CDEDLO CCCNC(=O)CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000049066031 260203644 /nfs/dbraw/zinc/20/36/44/260203644.db2.gz XAJNNSAMGGKQEQ-UHFFFAOYSA-N 1 2 267.304 1.297 20 30 CDEDLO C[C@H](C#N)S(=O)(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000088474768 260232798 /nfs/dbraw/zinc/23/27/98/260232798.db2.gz BFXODPGINOZNOS-TZMCWYRMSA-N 1 2 293.392 1.217 20 30 CDEDLO C[C@H](C#N)S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000088474768 260232799 /nfs/dbraw/zinc/23/27/99/260232799.db2.gz BFXODPGINOZNOS-TZMCWYRMSA-N 1 2 293.392 1.217 20 30 CDEDLO Cc1cccn2cc(CNS(=O)(=O)CCCC#N)[nH+]c12 ZINC000128778306 260823816 /nfs/dbraw/zinc/82/38/16/260823816.db2.gz YUWLUWJMEUKZNX-UHFFFAOYSA-N 1 2 292.364 1.366 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cnccc2C)n1 ZINC000490741451 261200393 /nfs/dbraw/zinc/20/03/93/261200393.db2.gz VCJFRNYWYZXGPL-UHFFFAOYSA-N 1 2 298.390 1.868 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cnccc2C)n1 ZINC000490741451 261200394 /nfs/dbraw/zinc/20/03/94/261200394.db2.gz VCJFRNYWYZXGPL-UHFFFAOYSA-N 1 2 298.390 1.868 20 30 CDEDLO C=CCCC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000106029366 261320695 /nfs/dbraw/zinc/32/06/95/261320695.db2.gz VBCLMUVDPNEFBI-UHFFFAOYSA-N 1 2 262.357 1.031 20 30 CDEDLO CCC1CC(=O)C(=CNNc2[nH+]ccnc2OC)C(=O)C1 ZINC000185471032 262055762 /nfs/dbraw/zinc/05/57/62/262055762.db2.gz JYTCSTMAUKKZPJ-UHFFFAOYSA-N 1 2 290.323 1.244 20 30 CDEDLO C=CC[N@H+](C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000108871309 262064593 /nfs/dbraw/zinc/06/45/93/262064593.db2.gz BHNXTISMVKVQQE-CHWSQXEVSA-N 1 2 273.398 1.231 20 30 CDEDLO C=CC[N@@H+](C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000108871309 262064594 /nfs/dbraw/zinc/06/45/94/262064594.db2.gz BHNXTISMVKVQQE-CHWSQXEVSA-N 1 2 273.398 1.231 20 30 CDEDLO C[C@H]1CCC[C@](C#N)(NC(=O)CCc2c[nH+]cn2C)C1 ZINC000189039547 262166367 /nfs/dbraw/zinc/16/63/67/262166367.db2.gz JPFRTACYQRNAMQ-WFASDCNBSA-N 1 2 274.368 1.941 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000364342329 262211053 /nfs/dbraw/zinc/21/10/53/262211053.db2.gz VKUVGQKWLGCLIP-LBPRGKRZSA-N 1 2 268.357 1.235 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000364342329 262211055 /nfs/dbraw/zinc/21/10/55/262211055.db2.gz VKUVGQKWLGCLIP-LBPRGKRZSA-N 1 2 268.357 1.235 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000354889301 262321678 /nfs/dbraw/zinc/32/16/78/262321678.db2.gz RFGOHYAGSWGXJE-QWRGUYRKSA-N 1 2 275.274 1.819 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000354889301 262321679 /nfs/dbraw/zinc/32/16/79/262321679.db2.gz RFGOHYAGSWGXJE-QWRGUYRKSA-N 1 2 275.274 1.819 20 30 CDEDLO Cc1noc(CO[NH+]=C(N)[C@@H](C)OCC(C)C)n1 ZINC000266173789 262914821 /nfs/dbraw/zinc/91/48/21/262914821.db2.gz DHKIEDFBKGMRIP-MRVPVSSYSA-N 1 2 256.306 1.228 20 30 CDEDLO CC(C)(C#N)CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000278295105 263046699 /nfs/dbraw/zinc/04/66/99/263046699.db2.gz CYPUDACHPLDIER-GFCCVEGCSA-N 1 2 272.352 1.716 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000366597143 263068589 /nfs/dbraw/zinc/06/85/89/263068589.db2.gz MAMIDCVYWJZUIC-HNNXBMFYSA-N 1 2 298.390 1.953 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000366597143 263068590 /nfs/dbraw/zinc/06/85/90/263068590.db2.gz MAMIDCVYWJZUIC-HNNXBMFYSA-N 1 2 298.390 1.953 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N1CCCC(C)(C)[C@H]1C#N ZINC000281818759 263072097 /nfs/dbraw/zinc/07/20/97/263072097.db2.gz LASHFSDSFMXMJT-CYBMUJFWSA-N 1 2 274.368 1.893 20 30 CDEDLO N#CCOc1ccc(C[N@@H+]2CCOC[C@]23CCOC3)cc1 ZINC000282212414 263074990 /nfs/dbraw/zinc/07/49/90/263074990.db2.gz DKKGYAUXEVPSMP-MRXNPFEDSA-N 1 2 288.347 1.580 20 30 CDEDLO N#CCOc1ccc(C[N@H+]2CCOC[C@]23CCOC3)cc1 ZINC000282212414 263074991 /nfs/dbraw/zinc/07/49/91/263074991.db2.gz DKKGYAUXEVPSMP-MRXNPFEDSA-N 1 2 288.347 1.580 20 30 CDEDLO COc1ccc(OCCCO[NH+]=C(N)[C@@H]2CCCO2)cc1 ZINC000284572432 263087421 /nfs/dbraw/zinc/08/74/21/263087421.db2.gz WYFCWDMESODSQC-AWEZNQCLSA-N 1 2 294.351 1.932 20 30 CDEDLO C[C@@H](O[NH+]=C(N)[C@H]1CCCO1)C(=O)Nc1ccccc1 ZINC000284591695 263087516 /nfs/dbraw/zinc/08/75/16/263087516.db2.gz YAYRLWHDWKXVHN-ZYHUDNBSSA-N 1 2 277.324 1.481 20 30 CDEDLO C[C@H]1COCC[C@@H]1C/[NH+]=C/c1ccc(O)c(O)c1O ZINC000285240916 263091519 /nfs/dbraw/zinc/09/15/19/263091519.db2.gz GKTRIAVZHICWTK-GFYVXCQASA-N 1 2 265.309 1.895 20 30 CDEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCO[C@H](C#N)C1 ZINC000287409800 263101885 /nfs/dbraw/zinc/10/18/85/263101885.db2.gz FDNGDHIYTDFBGT-LLVKDONJSA-N 1 2 260.297 1.455 20 30 CDEDLO NC(CCO)=[NH+]OCc1cc2c(cc1Cl)OCCO2 ZINC000288677460 263105590 /nfs/dbraw/zinc/10/55/90/263105590.db2.gz SKPHASOTHVUKJC-UHFFFAOYSA-N 1 2 286.715 1.282 20 30 CDEDLO NC(=[NH+]OCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000288701873 263105602 /nfs/dbraw/zinc/10/56/02/263105602.db2.gz UQGSOTXUNQRPIV-GFCCVEGCSA-N 1 2 279.296 1.605 20 30 CDEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CCCC#N)CC1 ZINC000291713630 263125007 /nfs/dbraw/zinc/12/50/07/263125007.db2.gz OXIZJSLTGDPKRB-AWEZNQCLSA-N 1 2 286.379 1.981 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1[C@@H](C)COC[C@@H]1C ZINC000120962128 263290289 /nfs/dbraw/zinc/29/02/89/263290289.db2.gz GFHFOQIRBHEAFA-AGIUHOORSA-N 1 2 267.373 1.104 20 30 CDEDLO C=CC[N@@H+](C)Cc1nnc2n1c1ccsc1c(=O)n2C ZINC000121623137 263297172 /nfs/dbraw/zinc/29/71/72/263297172.db2.gz WREUUBMWWPBXTA-UHFFFAOYSA-N 1 2 289.364 1.261 20 30 CDEDLO C=CC[N@H+](C)Cc1nnc2n1c1ccsc1c(=O)n2C ZINC000121623137 263297173 /nfs/dbraw/zinc/29/71/73/263297173.db2.gz WREUUBMWWPBXTA-UHFFFAOYSA-N 1 2 289.364 1.261 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2ncnn2C(C)(C)C)CC1 ZINC000341983707 263370939 /nfs/dbraw/zinc/37/09/39/263370939.db2.gz UOYHTXNBYJTBOM-UHFFFAOYSA-N 1 2 291.399 1.785 20 30 CDEDLO COc1ccccc1OCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000575234112 335086085 /nfs/dbraw/zinc/08/60/85/335086085.db2.gz RUHKNODQRPXAHR-HNNXBMFYSA-N 1 2 291.351 1.034 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000330726855 264026432 /nfs/dbraw/zinc/02/64/32/264026432.db2.gz FSDVNBDDUBEQCH-CYBMUJFWSA-N 1 2 267.373 1.105 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000330726855 264026434 /nfs/dbraw/zinc/02/64/34/264026434.db2.gz FSDVNBDDUBEQCH-CYBMUJFWSA-N 1 2 267.373 1.105 20 30 CDEDLO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@@H]2C#N)on1 ZINC000330802162 264042422 /nfs/dbraw/zinc/04/24/22/264042422.db2.gz APVNESQZCVFDRS-AXFHLTTASA-N 1 2 262.313 1.592 20 30 CDEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)Nc1nccs1 ZINC000330833134 264050605 /nfs/dbraw/zinc/05/06/05/264050605.db2.gz KNWIPUVMIHQKIP-AEJSXWLSSA-N 1 2 264.354 1.752 20 30 CDEDLO C=CCNC(=O)C[N@@H+](Cc1ccccc1OC)C1CC1 ZINC000052183284 264065076 /nfs/dbraw/zinc/06/50/76/264065076.db2.gz COVHYRYSHRTJFS-UHFFFAOYSA-N 1 2 274.364 1.962 20 30 CDEDLO C=CCNC(=O)C[N@H+](Cc1ccccc1OC)C1CC1 ZINC000052183284 264065078 /nfs/dbraw/zinc/06/50/78/264065078.db2.gz COVHYRYSHRTJFS-UHFFFAOYSA-N 1 2 274.364 1.962 20 30 CDEDLO CC(=O)N1CC[NH+](CCNC(=O)c2ccoc2Cl)CC1 ZINC000331224374 264149955 /nfs/dbraw/zinc/14/99/55/264149955.db2.gz WVVRVJVUACYGEJ-UHFFFAOYSA-N 1 2 299.758 1.402 20 30 CDEDLO Cc1oc(NC(=O)C[NH2+][C@H]2CCC[C@@H]2C#N)c(C#N)c1C ZINC000331359724 264208974 /nfs/dbraw/zinc/20/89/74/264208974.db2.gz WWDXUKLVLLCHPA-YPMHNXCESA-N 1 2 286.335 1.989 20 30 CDEDLO CC1(C)C[N@H+](CCNC(=O)N[C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000425487079 264354446 /nfs/dbraw/zinc/35/44/46/264354446.db2.gz YMWLRIWQWNQNQB-QWHCGFSZSA-N 1 2 294.399 1.089 20 30 CDEDLO CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000425487079 264354447 /nfs/dbraw/zinc/35/44/47/264354447.db2.gz YMWLRIWQWNQNQB-QWHCGFSZSA-N 1 2 294.399 1.089 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1c[nH+]cn1C ZINC000292275483 424576169 /nfs/dbraw/zinc/57/61/69/424576169.db2.gz GPGKCQLTJRNIDO-DGCLKSJQSA-N 1 2 278.356 1.201 20 30 CDEDLO C=CCCC1(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000356392468 266106365 /nfs/dbraw/zinc/10/63/65/266106365.db2.gz KYTYQPMEBJKGAI-CHWSQXEVSA-N 1 2 264.369 1.274 20 30 CDEDLO C=CCCC1(C(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000356392468 266106367 /nfs/dbraw/zinc/10/63/67/266106367.db2.gz KYTYQPMEBJKGAI-CHWSQXEVSA-N 1 2 264.369 1.274 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000370225637 267300442 /nfs/dbraw/zinc/30/04/42/267300442.db2.gz WRKBKKZMTHNFTD-IVZWLZJFSA-N 1 2 273.174 1.481 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000370225637 267300443 /nfs/dbraw/zinc/30/04/43/267300443.db2.gz WRKBKKZMTHNFTD-IVZWLZJFSA-N 1 2 273.174 1.481 20 30 CDEDLO Cc1cc(N[C@H](C)CC[S@@](C)=O)c(C#N)c[nH+]1 ZINC000399562327 267301795 /nfs/dbraw/zinc/30/17/95/267301795.db2.gz FTYUALRORCNDPD-VVVCHXIZSA-N 1 2 251.355 1.253 20 30 CDEDLO N#Cc1cc(NCCCc2[nH]c3ccccc3[nH+]2)ncn1 ZINC000527384112 268171077 /nfs/dbraw/zinc/17/10/77/268171077.db2.gz NICIIOYFOCTBLT-UHFFFAOYSA-N 1 2 278.319 1.691 20 30 CDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(C#N)c1 ZINC000367629841 278476647 /nfs/dbraw/zinc/47/66/47/278476647.db2.gz BOTKTQGNVVIIKY-XJKSGUPXSA-N 1 2 299.374 1.493 20 30 CDEDLO CC1(C)CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H]1C#N ZINC000336408860 280972453 /nfs/dbraw/zinc/97/24/53/280972453.db2.gz KWRNJJVUDCKYID-TZMCWYRMSA-N 1 2 286.379 1.986 20 30 CDEDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)o1 ZINC000541687482 289505076 /nfs/dbraw/zinc/50/50/76/289505076.db2.gz VCCYFRIXVVXRQV-VHSXEESVSA-N 1 2 299.334 1.928 20 30 CDEDLO N#Cc1c(NCc2cn3ccccc3[nH+]2)n[nH]c1C1CC1 ZINC000555581570 290226785 /nfs/dbraw/zinc/22/67/85/290226785.db2.gz ZTJHQHJOZLTKBJ-UHFFFAOYSA-N 1 2 278.319 1.840 20 30 CDEDLO N#Cc1nccc(N2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000574562518 295018406 /nfs/dbraw/zinc/01/84/06/295018406.db2.gz VFCIKLDRQBMGJK-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO C[C@@H]1CCN(c2ncncc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000574562779 295018411 /nfs/dbraw/zinc/01/84/11/295018411.db2.gz XYGABGTWQGTMQY-YPMHNXCESA-N 1 2 268.324 1.632 20 30 CDEDLO NC(CN1CCOCC1)=[NH+]OCCCCc1ccccc1 ZINC000185369587 327839038 /nfs/dbraw/zinc/83/90/38/327839038.db2.gz UQBQEXQTTPZTMR-UHFFFAOYSA-N 1 2 291.395 1.630 20 30 CDEDLO Cc1cccnc1/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000493618198 327896856 /nfs/dbraw/zinc/89/68/56/327896856.db2.gz PJBRRBUOWGRIRJ-LZNQSLFOSA-N 1 2 272.352 1.363 20 30 CDEDLO Cc1cc[nH+]cc1N1CCN(Cc2ncc(C#N)cn2)CC1 ZINC000563522892 316323546 /nfs/dbraw/zinc/32/35/46/316323546.db2.gz REWYATBUXFPWRZ-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO CCc1nocc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000570031827 316896183 /nfs/dbraw/zinc/89/61/83/316896183.db2.gz HSPJMPMCRXDCEJ-UHFFFAOYSA-N 1 2 297.362 1.826 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNc1cc(C#N)ncn1)CCC2 ZINC000576298565 317113933 /nfs/dbraw/zinc/11/39/33/317113933.db2.gz WHZUTHLAOKTNKP-LLVKDONJSA-N 1 2 268.324 1.265 20 30 CDEDLO CC[C@H](CC#N)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000563366525 328059653 /nfs/dbraw/zinc/05/96/53/328059653.db2.gz ISKBDXOUJMGWHA-DGCLKSJQSA-N 1 2 275.356 1.197 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCCOc1cccc(F)c1 ZINC000565169758 328073745 /nfs/dbraw/zinc/07/37/45/328073745.db2.gz HLUKCZKXZHKGFG-ZDUSSCGKSA-N 1 2 293.342 1.603 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC000571340781 328112456 /nfs/dbraw/zinc/11/24/56/328112456.db2.gz GIHZKXNTHJELGH-VIFPVBQESA-N 1 2 262.338 1.538 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)Cc1ccc(OCC#N)cc1 ZINC000264629973 328161353 /nfs/dbraw/zinc/16/13/53/328161353.db2.gz AVLJYKMDFUPKEN-UHFFFAOYSA-N 1 2 284.319 1.181 20 30 CDEDLO COC(=O)C[N@H+](Cc1ccc(OCC#N)cc1)C1CC1 ZINC000267636683 328180198 /nfs/dbraw/zinc/18/01/98/328180198.db2.gz FQPHLAZREWGDBY-UHFFFAOYSA-N 1 2 274.320 1.726 20 30 CDEDLO COC(=O)C[N@@H+](Cc1ccc(OCC#N)cc1)C1CC1 ZINC000267636683 328180200 /nfs/dbraw/zinc/18/02/00/328180200.db2.gz FQPHLAZREWGDBY-UHFFFAOYSA-N 1 2 274.320 1.726 20 30 CDEDLO NC(=[NH+]OCC(=O)NCCC1=CCCCC1)[C@@H]1CCCO1 ZINC000284610645 328246361 /nfs/dbraw/zinc/24/63/61/328246361.db2.gz YYDHYNNRXGFLKI-ZDUSSCGKSA-N 1 2 295.383 1.461 20 30 CDEDLO CN(Cc1cccs1)C(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284603679 328246391 /nfs/dbraw/zinc/24/63/91/328246391.db2.gz YPRDEKOEIXVCEB-NSHDSACASA-N 1 2 297.380 1.174 20 30 CDEDLO Cc1oncc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000578951675 324062697 /nfs/dbraw/zinc/06/26/97/324062697.db2.gz GNEUZZIGFMZTSX-UHFFFAOYSA-N 1 2 283.335 1.572 20 30 CDEDLO Cc1c([C@@H]2C[C@H]2Nc2cc(C)[nH+]cc2C#N)cnn1C ZINC000579825821 324290354 /nfs/dbraw/zinc/29/03/54/324290354.db2.gz ZBCSFNUFWJXQOG-SWLSCSKDSA-N 1 2 267.336 1.694 20 30 CDEDLO Cc1ccc[nH+]c1CCCNc1ccc(C#N)c(N)n1 ZINC000579978806 324337473 /nfs/dbraw/zinc/33/74/73/324337473.db2.gz FDIFPZVRVLLOSD-UHFFFAOYSA-N 1 2 267.336 1.706 20 30 CDEDLO Cc1cc(N[C@H]2CCO[C@]3(CCOC3)C2)c(C#N)c[nH+]1 ZINC000584228105 327069418 /nfs/dbraw/zinc/06/94/18/327069418.db2.gz LXCWVPBABOYGEY-DZGCQCFKSA-N 1 2 273.336 1.434 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N ZINC000569353244 327158251 /nfs/dbraw/zinc/15/82/51/327158251.db2.gz MYXUAGOYBNXTHM-UHFFFAOYSA-N 1 2 289.383 1.396 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092194261 327188186 /nfs/dbraw/zinc/18/81/86/327188186.db2.gz GNKHBWXLUFTYDO-MRXNPFEDSA-N 1 2 291.416 1.926 20 30 CDEDLO C#CC[N@H+](Cc1ccc(C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092194261 327188187 /nfs/dbraw/zinc/18/81/87/327188187.db2.gz GNKHBWXLUFTYDO-MRXNPFEDSA-N 1 2 291.416 1.926 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000560431930 327307308 /nfs/dbraw/zinc/30/73/08/327307308.db2.gz RVWUXPBXELDYDC-UPJWGTAASA-N 1 2 292.383 1.997 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc2c(c1)CCC2 ZINC000574566867 327349765 /nfs/dbraw/zinc/34/97/65/327349765.db2.gz VXVUOIIFXPSXOY-INIZCTEOSA-N 1 2 273.380 1.794 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc2c(c1)CCC2 ZINC000574566867 327349766 /nfs/dbraw/zinc/34/97/66/327349766.db2.gz VXVUOIIFXPSXOY-INIZCTEOSA-N 1 2 273.380 1.794 20 30 CDEDLO C=C(C)[C@H](CC(=O)N[C@H]1CCn2cc[nH+]c2C1)OCC ZINC000428003313 327478115 /nfs/dbraw/zinc/47/81/15/327478115.db2.gz CEECIMQEOCFLGH-STQMWFEESA-N 1 2 277.368 1.685 20 30 CDEDLO CC(C)CNS(=O)(=O)c1ccc(C[NH2+]CCC#N)cc1 ZINC000514668282 329173065 /nfs/dbraw/zinc/17/30/65/329173065.db2.gz CUVUEAOZATZHMP-UHFFFAOYSA-N 1 2 295.408 1.624 20 30 CDEDLO C[C@H](C#N)CNC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000583222573 329378391 /nfs/dbraw/zinc/37/83/91/329378391.db2.gz YIWLLJUMMQSYIF-KOLCDFICSA-N 1 2 261.329 1.330 20 30 CDEDLO Cc1cccc2c(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c[nH]c21 ZINC000583756131 329474125 /nfs/dbraw/zinc/47/41/25/329474125.db2.gz QFDZBNQGNBKPKX-KRWDZBQOSA-N 1 2 298.390 1.979 20 30 CDEDLO C=CCN1C(=O)C(=O)N(Cc2c(C)[nH+]c3ccccn32)C1=O ZINC000133095315 329650591 /nfs/dbraw/zinc/65/05/91/329650591.db2.gz SLBPNYXESAPNCS-UHFFFAOYSA-N 1 2 298.302 1.120 20 30 CDEDLO CSc1ccccc1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000571885735 329928111 /nfs/dbraw/zinc/92/81/11/329928111.db2.gz ZLVRWSJWQJEMSH-OAHLLOKOSA-N 1 2 291.420 1.911 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422219463 330133054 /nfs/dbraw/zinc/13/30/54/330133054.db2.gz ZKPPWGNBTQLFQK-ZDUSSCGKSA-N 1 2 277.368 1.682 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCc3cc(F)ccc3C2)CCC1 ZINC000527127738 330224591 /nfs/dbraw/zinc/22/45/91/330224591.db2.gz GAJJDJMZLKAIQP-UHFFFAOYSA-N 1 2 287.338 1.746 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCc3cc(F)ccc3C2)CCC1 ZINC000527127738 330224593 /nfs/dbraw/zinc/22/45/93/330224593.db2.gz GAJJDJMZLKAIQP-UHFFFAOYSA-N 1 2 287.338 1.746 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000424646992 330441406 /nfs/dbraw/zinc/44/14/06/330441406.db2.gz JZHMCPNHPQJZLC-UHFFFAOYSA-N 1 2 290.411 1.667 20 30 CDEDLO CC(C)[C@H](CNC(=O)[C@]1(C#N)C[C@H]1C)[NH+]1CCOCC1 ZINC000448634079 330746040 /nfs/dbraw/zinc/74/60/40/330746040.db2.gz RUQWJOIMGIFTCD-IPYPFGDCSA-N 1 2 279.384 1.009 20 30 CDEDLO C[C@H]1C[C@@]1(C#N)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000448657000 330771900 /nfs/dbraw/zinc/77/19/00/330771900.db2.gz QDVYGWUKBXRPSQ-LRDDRELGSA-N 1 2 284.363 1.848 20 30 CDEDLO C=CCC[C@@H](NCc1c[nH+]cn1C)C(=O)OCC ZINC000449657785 330942601 /nfs/dbraw/zinc/94/26/01/330942601.db2.gz QTLHEVGEIQDWAY-GFCCVEGCSA-N 1 2 251.330 1.408 20 30 CDEDLO C=C(CC)CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000454708071 331151999 /nfs/dbraw/zinc/15/19/99/331151999.db2.gz GDLMSVFTTLLVLV-ZDUSSCGKSA-N 1 2 274.368 1.926 20 30 CDEDLO CCc1ccc([C@@H](C#N)NC(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC000489970635 332075164 /nfs/dbraw/zinc/07/51/64/332075164.db2.gz YYDIUUUGQUONPN-HUUCEWRRSA-N 1 2 287.363 1.260 20 30 CDEDLO CCc1ccc([C@@H](C#N)NC(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000489970635 332075165 /nfs/dbraw/zinc/07/51/65/332075165.db2.gz YYDIUUUGQUONPN-HUUCEWRRSA-N 1 2 287.363 1.260 20 30 CDEDLO C#CC[N@@H+](CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000490850491 332120224 /nfs/dbraw/zinc/12/02/24/332120224.db2.gz BGWHABZZTYHVDT-GFCCVEGCSA-N 1 2 298.433 1.116 20 30 CDEDLO C#CC[N@H+](CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000490850491 332120226 /nfs/dbraw/zinc/12/02/26/332120226.db2.gz BGWHABZZTYHVDT-GFCCVEGCSA-N 1 2 298.433 1.116 20 30 CDEDLO C#CC[N@@H+]([C@H]1CCS(=O)(=O)C1)[C@@H]1C=CCCC1 ZINC000490866107 332122372 /nfs/dbraw/zinc/12/23/72/332122372.db2.gz MLAGWKUHFIHQOR-OLZOCXBDSA-N 1 2 253.367 1.217 20 30 CDEDLO C#CC[N@H+]([C@H]1CCS(=O)(=O)C1)[C@@H]1C=CCCC1 ZINC000490866107 332122373 /nfs/dbraw/zinc/12/23/73/332122373.db2.gz MLAGWKUHFIHQOR-OLZOCXBDSA-N 1 2 253.367 1.217 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000491121958 332152702 /nfs/dbraw/zinc/15/27/02/332152702.db2.gz SURMAWAVIRYETE-UHFFFAOYSA-N 1 2 263.362 1.688 20 30 CDEDLO C#CC[N@H+](Cc1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000491121958 332152703 /nfs/dbraw/zinc/15/27/03/332152703.db2.gz SURMAWAVIRYETE-UHFFFAOYSA-N 1 2 263.362 1.688 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCCOCCc1ccccc1 ZINC000491268134 332178179 /nfs/dbraw/zinc/17/81/79/332178179.db2.gz XSIOPZNULNMYBA-KRWDZBQOSA-N 1 2 273.376 1.970 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCCOCCc1ccccc1 ZINC000491268134 332178181 /nfs/dbraw/zinc/17/81/81/332178181.db2.gz XSIOPZNULNMYBA-KRWDZBQOSA-N 1 2 273.376 1.970 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1Cc1cc2ccccc2n(C)c1=O ZINC000491416733 332207941 /nfs/dbraw/zinc/20/79/41/332207941.db2.gz LJUGUDSZRZHKGP-HNNXBMFYSA-N 1 2 282.343 1.373 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1Cc1cc2ccccc2n(C)c1=O ZINC000491416733 332207942 /nfs/dbraw/zinc/20/79/42/332207942.db2.gz LJUGUDSZRZHKGP-HNNXBMFYSA-N 1 2 282.343 1.373 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCCN1CCc2ccccc21)C1CC1 ZINC000491496588 332223180 /nfs/dbraw/zinc/22/31/80/332223180.db2.gz RBOLSGOKONMSEE-UHFFFAOYSA-N 1 2 297.402 1.263 20 30 CDEDLO C#CC[N@H+](CC(=O)NCCN1CCc2ccccc21)C1CC1 ZINC000491496588 332223181 /nfs/dbraw/zinc/22/31/81/332223181.db2.gz RBOLSGOKONMSEE-UHFFFAOYSA-N 1 2 297.402 1.263 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C[C@@H]1Cc1ccccc1 ZINC000491542486 332233472 /nfs/dbraw/zinc/23/34/72/332233472.db2.gz AJIFETHQMSWECH-ZFWWWQNUSA-N 1 2 256.349 1.741 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C[C@@H]1Cc1ccccc1 ZINC000491542486 332233474 /nfs/dbraw/zinc/23/34/74/332233474.db2.gz AJIFETHQMSWECH-ZFWWWQNUSA-N 1 2 256.349 1.741 20 30 CDEDLO C#CCN(CC#CC)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000491543399 332233924 /nfs/dbraw/zinc/23/39/24/332233924.db2.gz GMTAVVQVWKAXNX-AWEZNQCLSA-N 1 2 284.363 1.539 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C2(CCOCC2)[C@@H]1C1CC1 ZINC000491546475 332235617 /nfs/dbraw/zinc/23/56/17/332235617.db2.gz VYZSREYYYQZNNI-JSGCOSHPSA-N 1 2 276.380 1.315 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C2(CCOCC2)[C@@H]1C1CC1 ZINC000491546475 332235618 /nfs/dbraw/zinc/23/56/18/332235618.db2.gz VYZSREYYYQZNNI-JSGCOSHPSA-N 1 2 276.380 1.315 20 30 CDEDLO C#CC[N@H+](C)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000491630486 332253313 /nfs/dbraw/zinc/25/33/13/332253313.db2.gz NAYBTUXDCSDEJY-UHFFFAOYSA-N 1 2 267.350 1.034 20 30 CDEDLO C#CC[N@@H+](C)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000491630486 332253314 /nfs/dbraw/zinc/25/33/14/332253314.db2.gz NAYBTUXDCSDEJY-UHFFFAOYSA-N 1 2 267.350 1.034 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C2CC2)CC1 ZINC000491655747 332267803 /nfs/dbraw/zinc/26/78/03/332267803.db2.gz HOJHAGZLFONQRC-UHFFFAOYSA-N 1 2 296.378 1.363 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCc1ccccc1COC(C)C ZINC000491674182 332280396 /nfs/dbraw/zinc/28/03/96/332280396.db2.gz KBLRABGQMUJNJJ-UHFFFAOYSA-N 1 2 288.391 1.793 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCc1ccccc1COC(C)C ZINC000491674182 332280397 /nfs/dbraw/zinc/28/03/97/332280397.db2.gz KBLRABGQMUJNJJ-UHFFFAOYSA-N 1 2 288.391 1.793 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cc1nnc(-c2ccccc2)n1C ZINC000491709239 332301271 /nfs/dbraw/zinc/30/12/71/332301271.db2.gz VWEBGZCSFTUPKH-GFCCVEGCSA-N 1 2 254.337 1.936 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cc1nnc(-c2ccccc2)n1C ZINC000491709239 332301272 /nfs/dbraw/zinc/30/12/72/332301272.db2.gz VWEBGZCSFTUPKH-GFCCVEGCSA-N 1 2 254.337 1.936 20 30 CDEDLO C#CC[NH+]1CCN(CN2C(=O)C[C@@H]2Cc2ccccc2)CC1 ZINC000491748470 332325456 /nfs/dbraw/zinc/32/54/56/332325456.db2.gz OLHZQGOZWXIINJ-KRWDZBQOSA-N 1 2 297.402 1.038 20 30 CDEDLO C#CC[N@@H+](CC(=O)NC[C@H]1Cc2ccccc2O1)C1CC1 ZINC000491777889 332343181 /nfs/dbraw/zinc/34/31/81/332343181.db2.gz XSKJKEYGMPULFQ-OAHLLOKOSA-N 1 2 284.359 1.204 20 30 CDEDLO C#CC[N@H+](CC(=O)NC[C@H]1Cc2ccccc2O1)C1CC1 ZINC000491777889 332343182 /nfs/dbraw/zinc/34/31/82/332343182.db2.gz XSKJKEYGMPULFQ-OAHLLOKOSA-N 1 2 284.359 1.204 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000491792546 332353035 /nfs/dbraw/zinc/35/30/35/332353035.db2.gz GNANNKISPPBAHB-IHRRRGAJSA-N 1 2 276.380 1.458 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000491792546 332353037 /nfs/dbraw/zinc/35/30/37/332353037.db2.gz GNANNKISPPBAHB-IHRRRGAJSA-N 1 2 276.380 1.458 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1nnc(CC(C)C)s1)C1CC1 ZINC000491814544 332366148 /nfs/dbraw/zinc/36/61/48/332366148.db2.gz RXLSBEGBWCFSPB-UHFFFAOYSA-N 1 2 292.408 1.773 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1nnc(CC(C)C)s1)C1CC1 ZINC000491814544 332366149 /nfs/dbraw/zinc/36/61/49/332366149.db2.gz RXLSBEGBWCFSPB-UHFFFAOYSA-N 1 2 292.408 1.773 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1cc(C)ccc1F ZINC000491816775 332367477 /nfs/dbraw/zinc/36/74/77/332367477.db2.gz NTTVCRCNSKKDQR-GFCCVEGCSA-N 1 2 262.328 1.704 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cc(C)ccc1F ZINC000491816775 332367478 /nfs/dbraw/zinc/36/74/78/332367478.db2.gz NTTVCRCNSKKDQR-GFCCVEGCSA-N 1 2 262.328 1.704 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ncoc1C1CC1 ZINC000516930448 333086708 /nfs/dbraw/zinc/08/67/08/333086708.db2.gz OYJYBMSZXMNXRW-CYBMUJFWSA-N 1 2 262.313 1.126 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCCc2occc2C1 ZINC000564156509 333126128 /nfs/dbraw/zinc/12/61/28/333126128.db2.gz KVSCXUXCACBYHX-LBPRGKRZSA-N 1 2 287.363 1.979 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCCc2occc2C1 ZINC000564156509 333126129 /nfs/dbraw/zinc/12/61/29/333126129.db2.gz KVSCXUXCACBYHX-LBPRGKRZSA-N 1 2 287.363 1.979 20 30 CDEDLO C=CCN(CC=C)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523702195 333340142 /nfs/dbraw/zinc/34/01/42/333340142.db2.gz LIIXGKUNAZTJRN-UHFFFAOYSA-N 1 2 269.308 1.477 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc2cccnc2s1 ZINC000576044267 335145201 /nfs/dbraw/zinc/14/52/01/335145201.db2.gz NLULSRDCORCKMU-CQSZACIVSA-N 1 2 288.376 1.870 20 30 CDEDLO CC(C)[C@@H](C(=O)NCC1(C#N)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000576182761 335166203 /nfs/dbraw/zinc/16/62/03/335166203.db2.gz PMEWRSSBWBEDQL-MCIONIFRSA-N 1 2 293.411 1.540 20 30 CDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000572540645 334405594 /nfs/dbraw/zinc/40/55/94/334405594.db2.gz HAWJPVHDVLELMD-YGRLFVJLSA-N 1 2 285.338 1.629 20 30 CDEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000343549655 335209272 /nfs/dbraw/zinc/20/92/72/335209272.db2.gz KETFXBPRZGWLAA-CQSZACIVSA-N 1 2 274.320 1.126 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000343549655 335209273 /nfs/dbraw/zinc/20/92/73/335209273.db2.gz KETFXBPRZGWLAA-CQSZACIVSA-N 1 2 274.320 1.126 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1ccc(C#N)cc1 ZINC000579599795 335818553 /nfs/dbraw/zinc/81/85/53/335818553.db2.gz ZFFFBMVKPTXKFL-MRXNPFEDSA-N 1 2 284.363 1.451 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000183502489 335895541 /nfs/dbraw/zinc/89/55/41/335895541.db2.gz SXLWWDHCZQTGDX-LBPRGKRZSA-N 1 2 250.346 1.927 20 30 CDEDLO Cn1ccnc1[C@H]([NH2+]C[C@H](C#N)CCC#N)C1CC1 ZINC000581126887 336011618 /nfs/dbraw/zinc/01/16/18/336011618.db2.gz HHVIGPKVKZYKBG-WCQYABFASA-N 1 2 257.341 1.904 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H](C)C1CC1)CO2 ZINC001755066132 1159517487 /nfs/dbraw/zinc/51/74/87/1159517487.db2.gz VHSSPXBDOZNHLU-UKRRQHHQSA-N 1 2 290.407 1.405 20 30 CDEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@H](CC)CCC)C1 ZINC001755337861 1159837081 /nfs/dbraw/zinc/83/70/81/1159837081.db2.gz WQARHQRRONECID-CQSZACIVSA-N 1 2 280.412 1.389 20 30 CDEDLO COCC#CC[NH+]1CCN(Cc2ccccc2OC)CC1 ZINC000677818898 482298497 /nfs/dbraw/zinc/29/84/97/482298497.db2.gz XYJMFKFVPXNHBQ-UHFFFAOYSA-N 1 2 288.391 1.463 20 30 CDEDLO COCC#CCN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000677819815 482300212 /nfs/dbraw/zinc/30/02/12/482300212.db2.gz AXGHMGMAAHVRMR-UHFFFAOYSA-N 1 2 276.355 1.593 20 30 CDEDLO COCC#CC[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000677819815 482300216 /nfs/dbraw/zinc/30/02/16/482300216.db2.gz AXGHMGMAAHVRMR-UHFFFAOYSA-N 1 2 276.355 1.593 20 30 CDEDLO COCC#CC[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC000677133441 482469642 /nfs/dbraw/zinc/46/96/42/482469642.db2.gz VTUVCZILXVQWLM-UHFFFAOYSA-N 1 2 292.423 1.751 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN(CC)[C@H](C)C1 ZINC000677194292 482580777 /nfs/dbraw/zinc/58/07/77/482580777.db2.gz GUOFNARCCHQZPD-CABCVRRESA-N 1 2 279.428 1.602 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN(CC)[C@H](C)C1 ZINC000677194292 482580780 /nfs/dbraw/zinc/58/07/80/482580780.db2.gz GUOFNARCCHQZPD-CABCVRRESA-N 1 2 279.428 1.602 20 30 CDEDLO C=C(CNC(=O)Cc1c[nH+]cn1C)c1ccccc1 ZINC000673341769 482721886 /nfs/dbraw/zinc/72/18/86/482721886.db2.gz JIKOKLMIQYKXGP-UHFFFAOYSA-N 1 2 255.321 1.792 20 30 CDEDLO C[N@H+](CC#Cc1ccc(F)cc1)CC(=O)N1CCCC1 ZINC000676492445 483502905 /nfs/dbraw/zinc/50/29/05/483502905.db2.gz OQWSVUXOKQUWIN-UHFFFAOYSA-N 1 2 274.339 1.731 20 30 CDEDLO C[N@@H+](CC#Cc1ccc(F)cc1)CC(=O)N1CCCC1 ZINC000676492445 483502911 /nfs/dbraw/zinc/50/29/11/483502911.db2.gz OQWSVUXOKQUWIN-UHFFFAOYSA-N 1 2 274.339 1.731 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1cc(=O)c(OC)co1 ZINC001038515571 1160841403 /nfs/dbraw/zinc/84/14/03/1160841403.db2.gz PDNZCJITAAOZFW-LLVKDONJSA-N 1 2 292.335 1.029 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1cc(=O)c(OC)co1 ZINC001038515571 1160841411 /nfs/dbraw/zinc/84/14/11/1160841411.db2.gz PDNZCJITAAOZFW-LLVKDONJSA-N 1 2 292.335 1.029 20 30 CDEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc[nH]n1 ZINC001272541823 1161121352 /nfs/dbraw/zinc/12/13/52/1161121352.db2.gz FVLRLXSJIGOTND-INIZCTEOSA-N 1 2 288.395 1.943 20 30 CDEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc[nH]n1 ZINC001272541823 1161121354 /nfs/dbraw/zinc/12/13/54/1161121354.db2.gz FVLRLXSJIGOTND-INIZCTEOSA-N 1 2 288.395 1.943 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)OCCCC)CC1 ZINC001112676104 1162050523 /nfs/dbraw/zinc/05/05/23/1162050523.db2.gz BQOYPTUOSNFOGN-CYBMUJFWSA-N 1 2 254.374 1.522 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)C[C@@]2(CCOC2)O1 ZINC000330089307 534450732 /nfs/dbraw/zinc/45/07/32/534450732.db2.gz VUAQVSSUEGWIQF-VNHYZAJKSA-N 1 2 298.383 1.002 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)C[C@@]2(CCOC2)O1 ZINC000330089307 534450735 /nfs/dbraw/zinc/45/07/35/534450735.db2.gz VUAQVSSUEGWIQF-VNHYZAJKSA-N 1 2 298.383 1.002 20 30 CDEDLO CCCCCCC[NH+]1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC001113518401 1162202246 /nfs/dbraw/zinc/20/22/46/1162202246.db2.gz NEBHSSZKOLKJCQ-UHFFFAOYSA-N 1 2 293.415 1.462 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+](CCOCCCC)CC1 ZINC001113714927 1162264284 /nfs/dbraw/zinc/26/42/84/1162264284.db2.gz PQXPUSFEMWUALV-HNNXBMFYSA-N 1 2 298.427 1.538 20 30 CDEDLO CNC(=O)[C@@H]1CCC[C@@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC000329032295 526406224 /nfs/dbraw/zinc/40/62/24/526406224.db2.gz PZAUUJGFIATOSY-MFKMUULPSA-N 1 2 289.383 1.631 20 30 CDEDLO CNC(=O)[C@@H]1CCC[C@@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000329032295 526406226 /nfs/dbraw/zinc/40/62/26/526406226.db2.gz PZAUUJGFIATOSY-MFKMUULPSA-N 1 2 289.383 1.631 20 30 CDEDLO C=CCOCC(=O)NCCCCNc1cccc[nH+]1 ZINC000345020376 526702195 /nfs/dbraw/zinc/70/21/95/526702195.db2.gz YNCBAXOSDADCLE-UHFFFAOYSA-N 1 2 263.341 1.593 20 30 CDEDLO C#CCNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000115779277 527011424 /nfs/dbraw/zinc/01/14/24/527011424.db2.gz PVLMYFCCJQBNPR-LBPRGKRZSA-N 1 2 281.306 1.500 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]Nc1cccc(C#N)c1 ZINC000747629109 574504106 /nfs/dbraw/zinc/50/41/06/574504106.db2.gz CEYPUTNUUVZYSN-UHFFFAOYSA-N 1 2 268.280 1.385 20 30 CDEDLO CC(=NN[C@H](C)CO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000749820652 574550680 /nfs/dbraw/zinc/55/06/80/574550680.db2.gz HSLGWLCPMALYEG-LLVKDONJSA-N 1 2 258.325 1.567 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000734488328 575348954 /nfs/dbraw/zinc/34/89/54/575348954.db2.gz WOOXMYBFGRVSQU-AWEZNQCLSA-N 1 2 274.389 1.526 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000734488328 575348956 /nfs/dbraw/zinc/34/89/56/575348956.db2.gz WOOXMYBFGRVSQU-AWEZNQCLSA-N 1 2 274.389 1.526 20 30 CDEDLO C=C1CC[NH+](CC2=C(C(=O)OCC)[C@H](C)NC(=O)N2)CC1 ZINC000731032977 575031310 /nfs/dbraw/zinc/03/13/10/575031310.db2.gz REAZCZBUDSSLPX-NSHDSACASA-N 1 2 293.367 1.157 20 30 CDEDLO N#CCOc1ccc(CC(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000733956085 575148238 /nfs/dbraw/zinc/14/82/38/575148238.db2.gz XCUJRLKCFNRTCX-UHFFFAOYSA-N 1 2 270.292 1.171 20 30 CDEDLO C#CCOc1ccccc1CNc1[nH+]cnc2c1cnn2C ZINC000734145623 575156762 /nfs/dbraw/zinc/15/67/62/575156762.db2.gz WUKWRLOPYZFRLQ-UHFFFAOYSA-N 1 2 293.330 1.987 20 30 CDEDLO C[C@H](C#N)COC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000774214148 575189652 /nfs/dbraw/zinc/18/96/52/575189652.db2.gz FTBPEYVZZVQHCN-SNVBAGLBSA-N 1 2 256.265 1.584 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761056641 576539396 /nfs/dbraw/zinc/53/93/96/576539396.db2.gz OQWVPKJFUQUECN-JQWIXIFHSA-N 1 2 291.317 1.925 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761056641 576539399 /nfs/dbraw/zinc/53/93/99/576539399.db2.gz OQWVPKJFUQUECN-JQWIXIFHSA-N 1 2 291.317 1.925 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ccc3nsnc3c2)CC1 ZINC000770490200 575455543 /nfs/dbraw/zinc/45/55/43/575455543.db2.gz GOLMBEDIGYPLRG-UHFFFAOYSA-N 1 2 286.360 1.082 20 30 CDEDLO N#CCCNC(=O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000770689154 575487315 /nfs/dbraw/zinc/48/73/15/575487315.db2.gz OBJDFLGUYHZKTE-MRXNPFEDSA-N 1 2 285.347 1.148 20 30 CDEDLO N#CCCNC(=O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000770689154 575487318 /nfs/dbraw/zinc/48/73/18/575487318.db2.gz OBJDFLGUYHZKTE-MRXNPFEDSA-N 1 2 285.347 1.148 20 30 CDEDLO NC(=[NH+]OCc1nc(C2CC2)no1)c1ccc(F)cc1 ZINC000736296803 575613530 /nfs/dbraw/zinc/61/35/30/575613530.db2.gz NSOUTOIIXCGWJF-UHFFFAOYSA-N 1 2 276.271 1.923 20 30 CDEDLO O=C(C#Cc1ccc2c(c1)OCO2)OCCn1cc[nH+]c1 ZINC000772005076 575648558 /nfs/dbraw/zinc/64/85/58/575648558.db2.gz RYSLSJSXFGCDAG-UHFFFAOYSA-N 1 2 284.271 1.207 20 30 CDEDLO C#C[C@H](NC(=O)NCc1cn2ccccc2[nH+]1)[C@H]1CCCO1 ZINC000773547568 575823135 /nfs/dbraw/zinc/82/31/35/575823135.db2.gz IWVJREKIQPYPBQ-UONOGXRCSA-N 1 2 298.346 1.314 20 30 CDEDLO CON=CC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000773851242 575841322 /nfs/dbraw/zinc/84/13/22/575841322.db2.gz IVRFYBKDUFVIOA-UHFFFAOYSA-N 1 2 288.307 1.533 20 30 CDEDLO N#Cc1ccc(NCCNc2nc[nH+]c(N)c2Cl)nc1 ZINC000764770511 575945660 /nfs/dbraw/zinc/94/56/60/575945660.db2.gz RSHJZLXUUZVKQZ-UHFFFAOYSA-N 1 2 289.730 1.503 20 30 CDEDLO N#Cc1ccc(NCCNc2[nH+]cnc(N)c2Cl)nc1 ZINC000764770511 575945662 /nfs/dbraw/zinc/94/56/62/575945662.db2.gz RSHJZLXUUZVKQZ-UHFFFAOYSA-N 1 2 289.730 1.503 20 30 CDEDLO C#CCCCC(=O)N1CCN(Cc2[nH+]ccn2CC)CC1 ZINC000760319642 576475987 /nfs/dbraw/zinc/47/59/87/576475987.db2.gz FJAOHRJWESZFEP-UHFFFAOYSA-N 1 2 288.395 1.351 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000741793894 576574158 /nfs/dbraw/zinc/57/41/58/576574158.db2.gz DHPFQYZIHOUNEU-OAHLLOKOSA-N 1 2 276.336 1.436 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000741793894 576574161 /nfs/dbraw/zinc/57/41/61/576574161.db2.gz DHPFQYZIHOUNEU-OAHLLOKOSA-N 1 2 276.336 1.436 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000742769111 576616165 /nfs/dbraw/zinc/61/61/65/576616165.db2.gz YYCARHJZOVPBTQ-AVGNSLFASA-N 1 2 266.410 1.436 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000742769111 576616166 /nfs/dbraw/zinc/61/61/66/576616166.db2.gz YYCARHJZOVPBTQ-AVGNSLFASA-N 1 2 266.410 1.436 20 30 CDEDLO COCC#CC[N@@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000762926283 576693968 /nfs/dbraw/zinc/69/39/68/576693968.db2.gz PHZBDAKXXOBTGF-INIZCTEOSA-N 1 2 287.359 1.844 20 30 CDEDLO COCC#CC[N@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000762926283 576693970 /nfs/dbraw/zinc/69/39/70/576693970.db2.gz PHZBDAKXXOBTGF-INIZCTEOSA-N 1 2 287.359 1.844 20 30 CDEDLO COCC#CC[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000762925455 576694267 /nfs/dbraw/zinc/69/42/67/576694267.db2.gz GJMVATLJTJYNSR-DLBZAZTESA-N 1 2 289.375 1.461 20 30 CDEDLO COCC#CC[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000762925455 576694270 /nfs/dbraw/zinc/69/42/70/576694270.db2.gz GJMVATLJTJYNSR-DLBZAZTESA-N 1 2 289.375 1.461 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745081486 576713606 /nfs/dbraw/zinc/71/36/06/576713606.db2.gz ZUWJYWPAHHEYMS-DOMZBBRYSA-N 1 2 295.383 1.068 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000745081486 576713608 /nfs/dbraw/zinc/71/36/08/576713608.db2.gz ZUWJYWPAHHEYMS-DOMZBBRYSA-N 1 2 295.383 1.068 20 30 CDEDLO C[C@@H]1CC(=NN2C(=O)c3ccccc3C2=O)C[N@@H+]1C1CC1 ZINC000753956106 576869519 /nfs/dbraw/zinc/86/95/19/576869519.db2.gz UHKWQIWFXBLKNQ-SNVBAGLBSA-N 1 2 283.331 1.895 20 30 CDEDLO C[C@@H]1CC(=NN2C(=O)c3ccccc3C2=O)C[N@H+]1C1CC1 ZINC000753956106 576869520 /nfs/dbraw/zinc/86/95/20/576869520.db2.gz UHKWQIWFXBLKNQ-SNVBAGLBSA-N 1 2 283.331 1.895 20 30 CDEDLO CCS(=O)(=O)C=C(C)NNc1nc(OC)cc(C)[nH+]1 ZINC000747636278 576878190 /nfs/dbraw/zinc/87/81/90/576878190.db2.gz XXLOIMXLLJIPPN-UHFFFAOYSA-N 1 2 286.357 1.016 20 30 CDEDLO CO[C@@H](C)C(N)=[NH+]OCCOc1ccc(C#N)cc1 ZINC000747867875 576887925 /nfs/dbraw/zinc/88/79/25/576887925.db2.gz NYDVIUWNXJKPPM-JTQLQIEISA-N 1 2 263.297 1.470 20 30 CDEDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2cc(C#N)ccc2F)C1 ZINC000748454507 576913359 /nfs/dbraw/zinc/91/33/59/576913359.db2.gz CGLWHPPRWWQKLB-AWEZNQCLSA-N 1 2 292.310 1.461 20 30 CDEDLO CC[N@H+]1CCO[C@H](C(=O)OCc2cc(C#N)ccc2F)C1 ZINC000748454507 576913361 /nfs/dbraw/zinc/91/33/61/576913361.db2.gz CGLWHPPRWWQKLB-AWEZNQCLSA-N 1 2 292.310 1.461 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1SCC ZINC000748575322 576918275 /nfs/dbraw/zinc/91/82/75/576918275.db2.gz GCQLHOSGHPXDKE-HZSPNIEDSA-N 1 2 280.437 1.874 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1SCC ZINC000748575322 576918276 /nfs/dbraw/zinc/91/82/76/576918276.db2.gz GCQLHOSGHPXDKE-HZSPNIEDSA-N 1 2 280.437 1.874 20 30 CDEDLO CCCCCCCCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000754854728 576919096 /nfs/dbraw/zinc/91/90/96/576919096.db2.gz IUECGBLADCLRJV-HNNXBMFYSA-N 1 2 298.475 1.892 20 30 CDEDLO CCCCCCCCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000754854728 576919098 /nfs/dbraw/zinc/91/90/98/576919098.db2.gz IUECGBLADCLRJV-HNNXBMFYSA-N 1 2 298.475 1.892 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000748835184 576928883 /nfs/dbraw/zinc/92/88/83/576928883.db2.gz ZPRIOIBIBUFCOM-FZMZJTMJSA-N 1 2 260.312 1.710 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000748835184 576928885 /nfs/dbraw/zinc/92/88/85/576928885.db2.gz ZPRIOIBIBUFCOM-FZMZJTMJSA-N 1 2 260.312 1.710 20 30 CDEDLO Cn1c[nH+]cc1C=NNC(=S)Nc1ccccc1F ZINC000755496581 576946982 /nfs/dbraw/zinc/94/69/82/576946982.db2.gz ABMZBCXFJFUIIF-UHFFFAOYSA-N 1 2 277.328 1.880 20 30 CDEDLO CCn1cc[nH+]c1CN=Nc1nc(-c2ccncc2)no1 ZINC000755678159 576955036 /nfs/dbraw/zinc/95/50/36/576955036.db2.gz GBUUYISFZKTBOE-UHFFFAOYSA-N 1 2 283.295 1.794 20 30 CDEDLO N#CC1CC[NH+](CN2C(=O)[C@H]3CCCCC[C@@H]32)CC1 ZINC000749950722 576969580 /nfs/dbraw/zinc/96/95/80/576969580.db2.gz VKWKWQPINOADRR-KBPBESRZSA-N 1 2 261.369 1.971 20 30 CDEDLO CCOc1ccc(O)c(/C=N\CC[N@@H+]2CCO[C@H](C)C2)c1 ZINC000750949063 577018441 /nfs/dbraw/zinc/01/84/41/577018441.db2.gz BXAZIMLCSFJGEB-GPLLRDDGSA-N 1 2 292.379 1.931 20 30 CDEDLO CCOc1ccc(O)c(/C=N\CC[N@H+]2CCO[C@H](C)C2)c1 ZINC000750949063 577018443 /nfs/dbraw/zinc/01/84/43/577018443.db2.gz BXAZIMLCSFJGEB-GPLLRDDGSA-N 1 2 292.379 1.931 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)C[C@@H](OC)C2 ZINC000752066533 577086071 /nfs/dbraw/zinc/08/60/71/577086071.db2.gz OVWYHGRGVXHFDC-IRXDYDNUSA-N 1 2 298.386 1.836 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)C[C@@H](OC)C2 ZINC000752066533 577086074 /nfs/dbraw/zinc/08/60/74/577086074.db2.gz OVWYHGRGVXHFDC-IRXDYDNUSA-N 1 2 298.386 1.836 20 30 CDEDLO N#Cc1cccn(C[N@@H+]2CCc3ccsc3C2)c1=O ZINC000758240640 577088736 /nfs/dbraw/zinc/08/87/36/577088736.db2.gz GYOZGSJVCHLRRC-UHFFFAOYSA-N 1 2 271.345 1.797 20 30 CDEDLO N#Cc1cccn(C[N@H+]2CCc3ccsc3C2)c1=O ZINC000758240640 577088737 /nfs/dbraw/zinc/08/87/37/577088737.db2.gz GYOZGSJVCHLRRC-UHFFFAOYSA-N 1 2 271.345 1.797 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(C)=O)C[C@H]1C ZINC000946932861 613235455 /nfs/dbraw/zinc/23/54/55/613235455.db2.gz NVOZIWFMYJIZJW-KOLCDFICSA-N 1 2 275.190 1.884 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(C)=O)C[C@H]1C ZINC000946932861 613235457 /nfs/dbraw/zinc/23/54/57/613235457.db2.gz NVOZIWFMYJIZJW-KOLCDFICSA-N 1 2 275.190 1.884 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccnn2CC(F)F)C1 ZINC001030310973 678458102 /nfs/dbraw/zinc/45/81/02/678458102.db2.gz TXEIWEIKXQIQGK-UHFFFAOYSA-N 1 2 284.310 1.138 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC2(C)C)C1 ZINC001031617026 678560625 /nfs/dbraw/zinc/56/06/25/678560625.db2.gz RXKRKGLECKVKAR-LLVKDONJSA-N 1 2 256.777 1.833 20 30 CDEDLO C#C[C@H]1CCCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000890652610 617249805 /nfs/dbraw/zinc/24/98/05/617249805.db2.gz UKQBKHYIOBKEAY-STQMWFEESA-N 1 2 257.337 1.460 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cccn3ccnc23)C1 ZINC000953833386 612992561 /nfs/dbraw/zinc/99/25/61/612992561.db2.gz GQMULPMLLUBRGC-UHFFFAOYSA-N 1 2 296.374 1.504 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ncccc2OC)C1 ZINC000957320879 612993164 /nfs/dbraw/zinc/99/31/64/612993164.db2.gz RFJOGOJJMAFOPW-UHFFFAOYSA-N 1 2 287.363 1.260 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cnoc2C(C)C)CC1 ZINC000957042225 613011291 /nfs/dbraw/zinc/01/12/91/613011291.db2.gz MJKQJIHIHQNOBA-UHFFFAOYSA-N 1 2 275.352 1.579 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2cc(C(C)C)on2)CC1 ZINC000981704946 613156897 /nfs/dbraw/zinc/15/68/97/613156897.db2.gz VEFWFOAHJHTZSZ-UHFFFAOYSA-N 1 2 275.352 1.579 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc(C(C)C)on2)CC1 ZINC000981704946 613156898 /nfs/dbraw/zinc/15/68/98/613156898.db2.gz VEFWFOAHJHTZSZ-UHFFFAOYSA-N 1 2 275.352 1.579 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCF)CC2(C)C)nc1 ZINC000977514023 613187314 /nfs/dbraw/zinc/18/73/14/613187314.db2.gz OAJLFHWOUCOOKJ-CQSZACIVSA-N 1 2 289.354 1.473 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCF)CC2(C)C)nc1 ZINC000977514023 613187315 /nfs/dbraw/zinc/18/73/15/613187315.db2.gz OAJLFHWOUCOOKJ-CQSZACIVSA-N 1 2 289.354 1.473 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)/C=C\C3CC3)CC2)C1 ZINC000949323060 613209938 /nfs/dbraw/zinc/20/99/38/613209938.db2.gz RKHLECYXCINIDW-WAYWQWQTSA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)/C=C\C3CC3)CC2)C1 ZINC000949323060 613209940 /nfs/dbraw/zinc/20/99/40/613209940.db2.gz RKHLECYXCINIDW-WAYWQWQTSA-N 1 2 288.391 1.279 20 30 CDEDLO 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C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000971575344 613289399 /nfs/dbraw/zinc/28/93/99/613289399.db2.gz DHNQXWVBWVABQW-VHSXEESVSA-N 1 2 282.281 1.996 20 30 CDEDLO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000971575344 613289401 /nfs/dbraw/zinc/28/94/01/613289401.db2.gz DHNQXWVBWVABQW-VHSXEESVSA-N 1 2 282.281 1.996 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cccc3n[nH]nc32)C1 ZINC000950406153 613296927 /nfs/dbraw/zinc/29/69/27/613296927.db2.gz HMVCLTVJWTYGTD-UHFFFAOYSA-N 1 2 299.378 1.680 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnn(C)c2OC)C1 ZINC000957328831 613297244 /nfs/dbraw/zinc/29/72/44/613297244.db2.gz HPTDINILJSCCNO-UHFFFAOYSA-N 1 2 292.383 1.151 20 30 CDEDLO C=C(C)C[N@@H+]1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000981208748 613309514 /nfs/dbraw/zinc/30/95/14/613309514.db2.gz BUSQVCRIXCHLQV-SNVBAGLBSA-N 1 2 282.281 1.997 20 30 CDEDLO C=C(C)C[N@H+]1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000981208748 613309516 /nfs/dbraw/zinc/30/95/16/613309516.db2.gz 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/nfs/dbraw/zinc/37/31/27/613373127.db2.gz JZVDHRJNQBNMCY-UHFFFAOYSA-N 1 2 284.787 1.620 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C2=CCOCC2)CC1 ZINC000981026696 613373128 /nfs/dbraw/zinc/37/31/28/613373128.db2.gz JZVDHRJNQBNMCY-UHFFFAOYSA-N 1 2 284.787 1.620 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC000967700103 613375689 /nfs/dbraw/zinc/37/56/89/613375689.db2.gz FUQUOKMLRRMKOB-LDYMZIIASA-N 1 2 297.790 1.306 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC000967700103 613375690 /nfs/dbraw/zinc/37/56/90/613375690.db2.gz FUQUOKMLRRMKOB-LDYMZIIASA-N 1 2 297.790 1.306 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccc1O ZINC000958637695 613383268 /nfs/dbraw/zinc/38/32/68/613383268.db2.gz KFHBTWSLJYOKTI-IAZYJMLFSA-N 1 2 293.754 1.200 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccc1O ZINC000958637695 613383269 /nfs/dbraw/zinc/38/32/69/613383269.db2.gz KFHBTWSLJYOKTI-IAZYJMLFSA-N 1 2 293.754 1.200 20 30 CDEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH2+]Cc3csnn3)C2)C1 ZINC000969878485 613393916 /nfs/dbraw/zinc/39/39/16/613393916.db2.gz OJMBTRQNZFMLFF-LLVKDONJSA-N 1 2 292.408 1.585 20 30 CDEDLO C=C1CCC(C(=O)N2CCC[N@@H+]([C@H](C)C(N)=O)CC2)CC1 ZINC000981873221 613405079 /nfs/dbraw/zinc/40/50/79/613405079.db2.gz JSLAAVDESDRAJN-CYBMUJFWSA-N 1 2 293.411 1.141 20 30 CDEDLO C=C1CCC(C(=O)N2CCC[N@H+]([C@H](C)C(N)=O)CC2)CC1 ZINC000981873221 613405081 /nfs/dbraw/zinc/40/50/81/613405081.db2.gz JSLAAVDESDRAJN-CYBMUJFWSA-N 1 2 293.411 1.141 20 30 CDEDLO C=CCC[NH+]1CCN(C(=O)c2snnc2C(C)C)CC1 ZINC000952374587 613512808 /nfs/dbraw/zinc/51/28/08/613512808.db2.gz NHQKQATVYXOQBD-UHFFFAOYSA-N 1 2 294.424 1.995 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](F)CC)C2)C1 ZINC000972496680 613570207 /nfs/dbraw/zinc/57/02/07/613570207.db2.gz IFSVEGYNSZFBMD-ZFWWWQNUSA-N 1 2 282.359 1.061 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](F)CC)C2)C1 ZINC000972496680 613570209 /nfs/dbraw/zinc/57/02/09/613570209.db2.gz 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613706842 /nfs/dbraw/zinc/70/68/42/613706842.db2.gz RBYQGGOFXNZUTJ-UHFFFAOYSA-N 1 2 258.312 1.752 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2cn3cccc(C)c3n2)CC1 ZINC000951748562 613710009 /nfs/dbraw/zinc/71/00/09/613710009.db2.gz DSXKSXZPEPPARP-UHFFFAOYSA-N 1 2 298.390 1.515 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c(C)[nH]nc2Cl)CC1 ZINC000948683220 613713984 /nfs/dbraw/zinc/71/39/84/613713984.db2.gz ZOVRRBUTICUNQX-UHFFFAOYSA-N 1 2 268.748 1.315 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c(C)cc(=O)[nH]c2C)CC1 ZINC000957733941 613714116 /nfs/dbraw/zinc/71/41/16/613714116.db2.gz JZAUVLVHTOHLLH-UHFFFAOYSA-N 1 2 275.352 1.348 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc(C(C)(C)C)nc2)CC1 ZINC000957920889 613717964 /nfs/dbraw/zinc/71/79/64/613717964.db2.gz OWQQFBQEBWOZNW-UHFFFAOYSA-N 1 2 288.395 1.718 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccncc3)C2)C1 ZINC000972224160 613724770 /nfs/dbraw/zinc/72/47/70/613724770.db2.gz KBVDOQHUEDYZHR-INIZCTEOSA-N 1 2 287.363 1.185 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccncc3)C2)C1 ZINC000972224160 613724773 /nfs/dbraw/zinc/72/47/73/613724773.db2.gz KBVDOQHUEDYZHR-INIZCTEOSA-N 1 2 287.363 1.185 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3C=CCC3)C2)C1 ZINC000972248330 613725695 /nfs/dbraw/zinc/72/56/95/613725695.db2.gz JKRKCAYRXPIHLD-NVXWUHKLSA-N 1 2 290.407 1.832 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3C=CCC3)C2)C1 ZINC000972248330 613725697 /nfs/dbraw/zinc/72/56/97/613725697.db2.gz JKRKCAYRXPIHLD-NVXWUHKLSA-N 1 2 290.407 1.832 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)SC)C2)C1 ZINC000972341005 613726083 /nfs/dbraw/zinc/72/60/83/613726083.db2.gz AETCOJVMICTAFN-DZGCQCFKSA-N 1 2 298.452 1.617 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)SC)C2)C1 ZINC000972341005 613726085 /nfs/dbraw/zinc/72/60/85/613726085.db2.gz AETCOJVMICTAFN-DZGCQCFKSA-N 1 2 298.452 1.617 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)C=CCC3)C2)C1 ZINC000972506732 613726468 /nfs/dbraw/zinc/72/64/68/613726468.db2.gz PKQYXMGZROONGL-IAGOWNOFSA-N 1 2 290.407 1.832 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)C=CCC3)C2)C1 ZINC000972506732 613726472 /nfs/dbraw/zinc/72/64/72/613726472.db2.gz PKQYXMGZROONGL-IAGOWNOFSA-N 1 2 290.407 1.832 20 30 CDEDLO Cn1nccc1[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000933523200 617478850 /nfs/dbraw/zinc/47/88/50/617478850.db2.gz PDJIKYGCJKYNQD-MRXNPFEDSA-N 1 2 282.347 1.865 20 30 CDEDLO Cn1nccc1[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000933523200 617478854 /nfs/dbraw/zinc/47/88/54/617478854.db2.gz PDJIKYGCJKYNQD-MRXNPFEDSA-N 1 2 282.347 1.865 20 30 CDEDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1csc(C#N)c1)CC2 ZINC000892134618 617499579 /nfs/dbraw/zinc/49/95/79/617499579.db2.gz IDBNOZGLTWDCSS-UHFFFAOYSA-N 1 2 286.360 1.272 20 30 CDEDLO Cn1nc2c(cc1=O)C[N@H+](Cc1csc(C#N)c1)CC2 ZINC000892134618 617499580 /nfs/dbraw/zinc/49/95/80/617499580.db2.gz IDBNOZGLTWDCSS-UHFFFAOYSA-N 1 2 286.360 1.272 20 30 CDEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1csc(C#N)c1 ZINC000892180177 617532770 /nfs/dbraw/zinc/53/27/70/617532770.db2.gz ROPVEZXSBDAUFY-NSHDSACASA-N 1 2 299.421 1.133 20 30 CDEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1csc(C#N)c1 ZINC000892180177 617532772 /nfs/dbraw/zinc/53/27/72/617532772.db2.gz ROPVEZXSBDAUFY-NSHDSACASA-N 1 2 299.421 1.133 20 30 CDEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H]3CO)o2)cc1 ZINC000934023762 617863130 /nfs/dbraw/zinc/86/31/30/617863130.db2.gz LFRCDMDYHMZIDY-GFCCVEGCSA-N 1 2 270.292 1.175 20 30 CDEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H]3CO)o2)cc1 ZINC000934023762 617863132 /nfs/dbraw/zinc/86/31/32/617863132.db2.gz LFRCDMDYHMZIDY-GFCCVEGCSA-N 1 2 270.292 1.175 20 30 CDEDLO CCc1cc(NCCn2cnc(C#N)n2)nc(CC)[nH+]1 ZINC000893837047 618070903 /nfs/dbraw/zinc/07/09/03/618070903.db2.gz ZTXDRQIQPSTROR-UHFFFAOYSA-N 1 2 271.328 1.177 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(F)cc2C)C1=O ZINC000894230412 618739421 /nfs/dbraw/zinc/73/94/21/618739421.db2.gz FUYDIMVXKAVQLD-ZDUSSCGKSA-N 1 2 277.343 1.748 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(F)cc2C)C1=O ZINC000894230412 618739423 /nfs/dbraw/zinc/73/94/23/618739423.db2.gz FUYDIMVXKAVQLD-ZDUSSCGKSA-N 1 2 277.343 1.748 20 30 CDEDLO C#CC[N@@H+](Cc1c2c(nn1C)CCSC2)C1CC1 ZINC000894469137 618905131 /nfs/dbraw/zinc/90/51/31/618905131.db2.gz DJZXIKDWSGGCRS-UHFFFAOYSA-N 1 2 261.394 1.807 20 30 CDEDLO C#CC[N@H+](Cc1c2c(nn1C)CCSC2)C1CC1 ZINC000894469137 618905135 /nfs/dbraw/zinc/90/51/35/618905135.db2.gz DJZXIKDWSGGCRS-UHFFFAOYSA-N 1 2 261.394 1.807 20 30 CDEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@@H](OCC)C1)C(=O)OC ZINC000894855561 619101723 /nfs/dbraw/zinc/10/17/23/619101723.db2.gz UNPKWRFUYBQYDU-UPJWGTAASA-N 1 2 253.342 1.489 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2ccnc(Cl)c2Cl)CCCN1O ZINC000895161694 619379756 /nfs/dbraw/zinc/37/97/56/619379756.db2.gz SWTKONLZZXCGQL-QMMMGPOBSA-N 1 2 290.150 1.858 20 30 CDEDLO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCCN(O)C2=O)o1 ZINC000895165475 619393633 /nfs/dbraw/zinc/39/36/33/619393633.db2.gz LCVUASTUUWOKCM-ADEWGFFLSA-N 1 2 264.325 1.873 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ncc(C#N)s1 ZINC000896492887 620117015 /nfs/dbraw/zinc/11/70/15/620117015.db2.gz JYCRTVNSLVPOFQ-SSDOTTSWSA-N 1 2 261.310 1.555 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ncc(C#N)s1 ZINC000896492887 620117016 /nfs/dbraw/zinc/11/70/16/620117016.db2.gz JYCRTVNSLVPOFQ-SSDOTTSWSA-N 1 2 261.310 1.555 20 30 CDEDLO Cc1[nH]c(CNC(=O)Cc2cccc(C#N)c2)[nH+]c1C ZINC000896917362 620307022 /nfs/dbraw/zinc/30/70/22/620307022.db2.gz VZAFMUIUTWSEMY-UHFFFAOYSA-N 1 2 268.320 1.757 20 30 CDEDLO C#CCSCC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000896977903 620329684 /nfs/dbraw/zinc/32/96/84/620329684.db2.gz FEDRYEKEHDUABV-OLZOCXBDSA-N 1 2 277.393 1.659 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cn1 ZINC000728863353 620536832 /nfs/dbraw/zinc/53/68/32/620536832.db2.gz MTTBBZJJEPNBHA-UHFFFAOYSA-N 1 2 280.331 1.737 20 30 CDEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCC(C)(C)CC#N)[nH]n1 ZINC000897957404 621245972 /nfs/dbraw/zinc/24/59/72/621245972.db2.gz WAHYQXGKTYBXSM-CYBMUJFWSA-N 1 2 289.383 1.846 20 30 CDEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCC(C)(C)CC#N)[nH]n1 ZINC000897957404 621245974 /nfs/dbraw/zinc/24/59/74/621245974.db2.gz WAHYQXGKTYBXSM-CYBMUJFWSA-N 1 2 289.383 1.846 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898504604 621780767 /nfs/dbraw/zinc/78/07/67/621780767.db2.gz RCNXSCRQTVHOAG-MJBXVCDLSA-N 1 2 284.375 1.518 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898504604 621780773 /nfs/dbraw/zinc/78/07/73/621780773.db2.gz RCNXSCRQTVHOAG-MJBXVCDLSA-N 1 2 284.375 1.518 20 30 CDEDLO C=C1C[NH+](C[C@@H](O)COCc2ccccc2F)C1 ZINC000899901554 622517957 /nfs/dbraw/zinc/51/79/57/622517957.db2.gz OUKAMRXRPLBQLK-CYBMUJFWSA-N 1 2 251.301 1.575 20 30 CDEDLO C#CC[N@H+](CN1C(=O)C2(CCC2)[C@@H]1[C@H]1CCCO1)C(C)C ZINC000905749140 626945076 /nfs/dbraw/zinc/94/50/76/626945076.db2.gz MVGBZFBWVWDYTF-CABCVRRESA-N 1 2 290.407 1.848 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)C2(CCC2)[C@@H]1[C@H]1CCCO1)C(C)C ZINC000905749140 626945078 /nfs/dbraw/zinc/94/50/78/626945078.db2.gz MVGBZFBWVWDYTF-CABCVRRESA-N 1 2 290.407 1.848 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000906494449 627287786 /nfs/dbraw/zinc/28/77/86/627287786.db2.gz UGTHRAJMPHFIIO-KBPBESRZSA-N 1 2 296.411 1.195 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000906494449 627287790 /nfs/dbraw/zinc/28/77/90/627287790.db2.gz UGTHRAJMPHFIIO-KBPBESRZSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CCC(CC=C)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913469419 630498280 /nfs/dbraw/zinc/49/82/80/630498280.db2.gz ZITVAVWZZLPAAA-HNNXBMFYSA-N 1 2 288.395 1.661 20 30 CDEDLO C#CC(=O)N1CC[NH+](Cc2ccc(CC)cc2)CC1 ZINC000915057934 631636731 /nfs/dbraw/zinc/63/67/31/631636731.db2.gz LXZWHPQZDIBKII-UHFFFAOYSA-N 1 2 256.349 1.526 20 30 CDEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886015156 678959296 /nfs/dbraw/zinc/95/92/96/678959296.db2.gz WQKBHJCCIUSQQY-OYHXCVFBSA-N 1 2 284.425 1.273 20 30 CDEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886015156 678959298 /nfs/dbraw/zinc/95/92/98/678959298.db2.gz WQKBHJCCIUSQQY-OYHXCVFBSA-N 1 2 284.425 1.273 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2CCOCC2)C1 ZINC001006535270 679166996 /nfs/dbraw/zinc/16/69/96/679166996.db2.gz NJKYNUBYLVMHOM-CYBMUJFWSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2CCOCC2)C1 ZINC001006535270 679166997 /nfs/dbraw/zinc/16/69/97/679166997.db2.gz NJKYNUBYLVMHOM-CYBMUJFWSA-N 1 2 286.803 1.746 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1occ2c1CCC2 ZINC001038565931 679198274 /nfs/dbraw/zinc/19/82/74/679198274.db2.gz ZJTFPSSRKQKXKL-LBPRGKRZSA-N 1 2 258.321 1.206 20 30 CDEDLO N#CCc1cccc(NC(=O)/C=C/C[NH+]2CCOCC2)c1 ZINC000868785396 677705917 /nfs/dbraw/zinc/70/59/17/677705917.db2.gz PDZUYIQLLIMFDS-GORDUTHDSA-N 1 2 285.347 1.580 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)cc1 ZINC000783734614 677821403 /nfs/dbraw/zinc/82/14/03/677821403.db2.gz URLSSDUYUUURCZ-ZDUSSCGKSA-N 1 2 272.348 1.361 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)cc1 ZINC000783734614 677821409 /nfs/dbraw/zinc/82/14/09/677821409.db2.gz URLSSDUYUUURCZ-ZDUSSCGKSA-N 1 2 272.348 1.361 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC001010348700 677762691 /nfs/dbraw/zinc/76/26/91/677762691.db2.gz BLUUNMUPDRETNY-VXGBXAGGSA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC001010348700 677762695 /nfs/dbraw/zinc/76/26/95/677762695.db2.gz BLUUNMUPDRETNY-VXGBXAGGSA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001014437173 677799064 /nfs/dbraw/zinc/79/90/64/677799064.db2.gz RUJQXUFTSITQRP-QWHCGFSZSA-N 1 2 288.395 1.596 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001014437173 677799066 /nfs/dbraw/zinc/79/90/66/677799066.db2.gz RUJQXUFTSITQRP-QWHCGFSZSA-N 1 2 288.395 1.596 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(CC)s1 ZINC001039070614 677805709 /nfs/dbraw/zinc/80/57/09/677805709.db2.gz QODUCQRWWIMDAV-JTQLQIEISA-N 1 2 265.382 1.696 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(CC)s1 ZINC001039070614 677805714 /nfs/dbraw/zinc/80/57/14/677805714.db2.gz QODUCQRWWIMDAV-JTQLQIEISA-N 1 2 265.382 1.696 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C ZINC001017310212 677807984 /nfs/dbraw/zinc/80/79/84/677807984.db2.gz OSUNPCLWUDLNGX-GASCZTMLSA-N 1 2 268.360 1.917 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C ZINC001017310212 677807986 /nfs/dbraw/zinc/80/79/86/677807986.db2.gz OSUNPCLWUDLNGX-GASCZTMLSA-N 1 2 268.360 1.917 20 30 CDEDLO N#C[C@]1(NC(=O)CNc2cccc[nH+]2)CCSC1 ZINC000900463792 677824057 /nfs/dbraw/zinc/82/40/57/677824057.db2.gz GULFTAKBHUYVNP-GFCCVEGCSA-N 1 2 262.338 1.009 20 30 CDEDLO C=CC(C)(C)CC(=O)N[C@H](Cn1cc[nH+]c1)C(=O)OC ZINC000879548786 677813865 /nfs/dbraw/zinc/81/38/65/677813865.db2.gz WSAMBUXILBXKDB-LLVKDONJSA-N 1 2 279.340 1.143 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCCOC2)C1 ZINC001016275138 677820605 /nfs/dbraw/zinc/82/06/05/677820605.db2.gz FDJSDKVBPQQRQD-OLZOCXBDSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCCOC2)C1 ZINC001016275138 677820607 /nfs/dbraw/zinc/82/06/07/677820607.db2.gz FDJSDKVBPQQRQD-OLZOCXBDSA-N 1 2 286.803 1.746 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cccnc2n1 ZINC001032416195 677898139 /nfs/dbraw/zinc/89/81/39/677898139.db2.gz YTCXJBHSACHRLF-KBPBESRZSA-N 1 2 292.342 1.162 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cccnc2n1 ZINC001032416195 677898141 /nfs/dbraw/zinc/89/81/41/677898141.db2.gz YTCXJBHSACHRLF-KBPBESRZSA-N 1 2 292.342 1.162 20 30 CDEDLO Cc1cc(C)c(NC(=O)N[C@H]2CCCN(O)C2=O)c(C)[nH+]1 ZINC000879605896 677926237 /nfs/dbraw/zinc/92/62/37/677926237.db2.gz NZALMJKXTRVYGR-NSHDSACASA-N 1 2 292.339 1.509 20 30 CDEDLO C=CC[N@@H+](C)CN1C(=O)C2(CCOCC2)[C@H]1C1CC1 ZINC000840050722 677962000 /nfs/dbraw/zinc/96/20/00/677962000.db2.gz YTSXSSUTSPDQCB-CYBMUJFWSA-N 1 2 264.369 1.479 20 30 CDEDLO C=CC[N@H+](C)CN1C(=O)C2(CCOCC2)[C@H]1C1CC1 ZINC000840050722 677962003 /nfs/dbraw/zinc/96/20/03/677962003.db2.gz YTSXSSUTSPDQCB-CYBMUJFWSA-N 1 2 264.369 1.479 20 30 CDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000853620865 678005490 /nfs/dbraw/zinc/00/54/90/678005490.db2.gz HTKJXRXLFFAVIN-AWEZNQCLSA-N 1 2 278.396 1.563 20 30 CDEDLO C#CCC[N@H+](CCOC)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000853620865 678005492 /nfs/dbraw/zinc/00/54/92/678005492.db2.gz HTKJXRXLFFAVIN-AWEZNQCLSA-N 1 2 278.396 1.563 20 30 CDEDLO Cc1csc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC000971218712 678013223 /nfs/dbraw/zinc/01/32/23/678013223.db2.gz RBKYZFGGODXZPP-PWSUYJOCSA-N 1 2 292.408 1.644 20 30 CDEDLO Cc1csc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC000971218712 678013224 /nfs/dbraw/zinc/01/32/24/678013224.db2.gz RBKYZFGGODXZPP-PWSUYJOCSA-N 1 2 292.408 1.644 20 30 CDEDLO CC1(C)C[C@@]1(C#N)NC(=O)c1cccc2[nH+]ccn21 ZINC000813304158 678025531 /nfs/dbraw/zinc/02/55/31/678025531.db2.gz XOXSCUCYLKKBEY-AWEZNQCLSA-N 1 2 254.293 1.756 20 30 CDEDLO COc1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1C#N ZINC000880873713 678056133 /nfs/dbraw/zinc/05/61/33/678056133.db2.gz OKWRAIXBMWJKKJ-UHFFFAOYSA-N 1 2 299.334 1.975 20 30 CDEDLO N#C[C@H]1CCCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000922078543 678057918 /nfs/dbraw/zinc/05/79/18/678057918.db2.gz DUALUPXUGBDXBH-VXGBXAGGSA-N 1 2 273.340 1.143 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccn1 ZINC001029243681 678059914 /nfs/dbraw/zinc/05/99/14/678059914.db2.gz LWWZCEFBFPKWSO-AEGPPILISA-N 1 2 284.363 1.416 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccn1 ZINC001029243681 678059915 /nfs/dbraw/zinc/05/99/15/678059915.db2.gz LWWZCEFBFPKWSO-AEGPPILISA-N 1 2 284.363 1.416 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2F)C1 ZINC001014360873 678086260 /nfs/dbraw/zinc/08/62/60/678086260.db2.gz YHALLWYINWGWJR-SNVBAGLBSA-N 1 2 266.341 1.715 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2sccc2F)C1 ZINC001014360873 678086262 /nfs/dbraw/zinc/08/62/62/678086262.db2.gz YHALLWYINWGWJR-SNVBAGLBSA-N 1 2 266.341 1.715 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ncc[nH]1 ZINC001039371346 678086327 /nfs/dbraw/zinc/08/63/27/678086327.db2.gz DGXBOEWBOIMVJV-NEPJUHHUSA-N 1 2 294.786 1.841 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ncc[nH]1 ZINC001039371346 678086329 /nfs/dbraw/zinc/08/63/29/678086329.db2.gz DGXBOEWBOIMVJV-NEPJUHHUSA-N 1 2 294.786 1.841 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)C3CC3)cc2C1 ZINC001054250948 678121516 /nfs/dbraw/zinc/12/15/16/678121516.db2.gz LHEKAQJBXDGAJX-UHFFFAOYSA-N 1 2 254.333 1.662 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)C3CC3)cc2C1 ZINC001054250948 678121518 /nfs/dbraw/zinc/12/15/18/678121518.db2.gz LHEKAQJBXDGAJX-UHFFFAOYSA-N 1 2 254.333 1.662 20 30 CDEDLO C=C(C)CN(CC)C(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000177558045 678125269 /nfs/dbraw/zinc/12/52/69/678125269.db2.gz JWXPYZQJDYHNKP-UHFFFAOYSA-N 1 2 289.379 1.943 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2csc(COC)n2)CC1 ZINC000989782823 678125312 /nfs/dbraw/zinc/12/53/12/678125312.db2.gz XJADMVRYRIYEAG-UHFFFAOYSA-N 1 2 293.392 1.071 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2csc(COC)n2)CC1 ZINC000989782823 678125313 /nfs/dbraw/zinc/12/53/13/678125313.db2.gz XJADMVRYRIYEAG-UHFFFAOYSA-N 1 2 293.392 1.071 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1CCC1)O2 ZINC001053559135 678130899 /nfs/dbraw/zinc/13/08/99/678130899.db2.gz KSYLTUHBSZYXJY-ZDUSSCGKSA-N 1 2 264.369 1.322 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[C@@]1(C)CC)CCO2 ZINC001053490215 678131510 /nfs/dbraw/zinc/13/15/10/678131510.db2.gz APTGARHUYAPUNY-GDBMZVCRSA-N 1 2 292.423 1.912 20 30 CDEDLO C#CCC[NH+]1CCN(CC[S@](=O)c2ccccc2)CC1 ZINC000127335786 678145857 /nfs/dbraw/zinc/14/58/57/678145857.db2.gz HPZXJUVIVJSNSG-HXUWFJFHSA-N 1 2 290.432 1.435 20 30 CDEDLO C#CCCN1CC[NH+](CC[S@](=O)c2ccccc2)CC1 ZINC000127335786 678145859 /nfs/dbraw/zinc/14/58/59/678145859.db2.gz HPZXJUVIVJSNSG-HXUWFJFHSA-N 1 2 290.432 1.435 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)c(OC)c1 ZINC001032643835 678165905 /nfs/dbraw/zinc/16/59/05/678165905.db2.gz ONFBQMSEKJLOKD-STQMWFEESA-N 1 2 288.322 1.366 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)c(OC)c1 ZINC001032643835 678165907 /nfs/dbraw/zinc/16/59/07/678165907.db2.gz ONFBQMSEKJLOKD-STQMWFEESA-N 1 2 288.322 1.366 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2scnc2C)C1 ZINC001035297468 678182660 /nfs/dbraw/zinc/18/26/60/678182660.db2.gz BOOIZXAOGVCASW-LBPRGKRZSA-N 1 2 295.408 1.458 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2scnc2C)C1 ZINC001035297468 678182661 /nfs/dbraw/zinc/18/26/61/678182661.db2.gz BOOIZXAOGVCASW-LBPRGKRZSA-N 1 2 295.408 1.458 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCOc3ccccc32)C1 ZINC001044056240 679670359 /nfs/dbraw/zinc/67/03/59/679670359.db2.gz PGWLMLHEEKKQNX-HNNXBMFYSA-N 1 2 286.375 1.881 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+]Cc1ncc(C(C)C)s1 ZINC000784609131 679677036 /nfs/dbraw/zinc/67/70/36/679677036.db2.gz AFXXKODZQVMJNJ-UHFFFAOYSA-N 1 2 288.438 1.957 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@@H](F)C2)C1 ZINC001042709512 679680287 /nfs/dbraw/zinc/68/02/87/679680287.db2.gz SNJBMFQWFJHVKL-VXGBXAGGSA-N 1 2 254.349 1.843 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2cnn(C)c2-n2cccc2)C1 ZINC001043500812 677737129 /nfs/dbraw/zinc/73/71/29/677737129.db2.gz VLBSMJJRWQVBLL-UHFFFAOYSA-N 1 2 299.378 1.153 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1COC ZINC001032732940 677742271 /nfs/dbraw/zinc/74/22/71/677742271.db2.gz YCSLTKTVFNCGCB-STQMWFEESA-N 1 2 292.404 1.979 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1COC ZINC001032732940 677742272 /nfs/dbraw/zinc/74/22/72/677742272.db2.gz YCSLTKTVFNCGCB-STQMWFEESA-N 1 2 292.404 1.979 20 30 CDEDLO C[C@@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCN(CC#N)C1 ZINC001046420304 677793213 /nfs/dbraw/zinc/79/32/13/677793213.db2.gz CXEHJSATNGWBHX-OAHLLOKOSA-N 1 2 283.335 1.281 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC001044247805 677830152 /nfs/dbraw/zinc/83/01/52/677830152.db2.gz ORPIIKWTSJMNPB-UHFFFAOYSA-N 1 2 298.390 1.824 20 30 CDEDLO CCOC(CO[NH+]=C(N)c1ccc(F)cc1)OCC ZINC000792730123 677847271 /nfs/dbraw/zinc/84/72/71/677847271.db2.gz LIBFITSFCJLDDS-UHFFFAOYSA-N 1 2 270.304 1.862 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(CC)n1 ZINC001032365544 677866719 /nfs/dbraw/zinc/86/67/19/677866719.db2.gz CKFARVMEXAKGDJ-QWRGUYRKSA-N 1 2 261.325 1.322 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(CC)n1 ZINC001032365544 677866721 /nfs/dbraw/zinc/86/67/21/677866721.db2.gz CKFARVMEXAKGDJ-QWRGUYRKSA-N 1 2 261.325 1.322 20 30 CDEDLO C#CCCCCNC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875371024 677976686 /nfs/dbraw/zinc/97/66/86/677976686.db2.gz AFZCOYMBSGTSTR-CQSZACIVSA-N 1 2 281.400 1.200 20 30 CDEDLO C#CCCCCNC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875371024 677976690 /nfs/dbraw/zinc/97/66/90/677976690.db2.gz AFZCOYMBSGTSTR-CQSZACIVSA-N 1 2 281.400 1.200 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCO[C@H]2C)C1 ZINC001032075627 677979628 /nfs/dbraw/zinc/97/96/28/677979628.db2.gz GWQONISXETZSLU-JQWIXIFHSA-N 1 2 272.776 1.212 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001031274246 677988714 /nfs/dbraw/zinc/98/87/14/677988714.db2.gz NBJVEXVJKIZVPJ-CQSZACIVSA-N 1 2 270.376 1.922 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc([C@H](C)O)s2)C1 ZINC000923562304 677990488 /nfs/dbraw/zinc/99/04/88/677990488.db2.gz UUTXKABZZXSXAZ-WDEREUQCSA-N 1 2 293.392 1.024 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc([C@H](C)O)s2)C1 ZINC000923562304 677990493 /nfs/dbraw/zinc/99/04/93/677990493.db2.gz UUTXKABZZXSXAZ-WDEREUQCSA-N 1 2 293.392 1.024 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3CC[C@H](NCC#N)[C@@H]3C)ccn12 ZINC000986281301 678015537 /nfs/dbraw/zinc/01/55/37/678015537.db2.gz OMMNESUGUWCPEF-JSGCOSHPSA-N 1 2 297.362 1.359 20 30 CDEDLO C#C[C@@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)[C@@H]1CCCO1 ZINC000847758910 678049208 /nfs/dbraw/zinc/04/92/08/678049208.db2.gz PQVBYVRFBYQDQY-KGLIPLIRSA-N 1 2 283.331 1.553 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)nnc1CC ZINC001038427982 678089373 /nfs/dbraw/zinc/08/93/73/678089373.db2.gz VYPLKHCJBSXYBV-CYBMUJFWSA-N 1 2 286.379 1.175 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)nnc1CC ZINC001038427982 678089374 /nfs/dbraw/zinc/08/93/74/678089374.db2.gz VYPLKHCJBSXYBV-CYBMUJFWSA-N 1 2 286.379 1.175 20 30 CDEDLO C#CCC1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCC1 ZINC000886792526 678098029 /nfs/dbraw/zinc/09/80/29/678098029.db2.gz CVHKFZYSXNPBOI-LBPRGKRZSA-N 1 2 257.337 1.508 20 30 CDEDLO C=CCN1CC(N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001044137026 678126886 /nfs/dbraw/zinc/12/68/86/678126886.db2.gz QWBJZQFVHRJHST-UHFFFAOYSA-N 1 2 297.362 1.210 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000923167008 678138866 /nfs/dbraw/zinc/13/88/66/678138866.db2.gz SUQCIBUYAHZUGJ-XGUBFFRZSA-N 1 2 295.379 1.374 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000923167008 678138867 /nfs/dbraw/zinc/13/88/67/678138867.db2.gz SUQCIBUYAHZUGJ-XGUBFFRZSA-N 1 2 295.379 1.374 20 30 CDEDLO C#CCCCCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000777591835 678144396 /nfs/dbraw/zinc/14/43/96/678144396.db2.gz RZZKKPMZKKAUIV-LBPRGKRZSA-N 1 2 260.341 1.301 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2c[nH]c3ccc(F)cc23)C1 ZINC001031011026 678155946 /nfs/dbraw/zinc/15/59/46/678155946.db2.gz WWWOUMAJQHFSCJ-UHFFFAOYSA-N 1 2 299.349 1.673 20 30 CDEDLO NC(=O)c1ccc(CO[NH+]=C(N)c2ccccc2)cc1 ZINC000014234729 678163375 /nfs/dbraw/zinc/16/33/75/678163375.db2.gz MQSGAUGFKKQDMK-UHFFFAOYSA-N 1 2 269.304 1.623 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000874707660 678224922 /nfs/dbraw/zinc/22/49/22/678224922.db2.gz DWHCAFKLOJXLDA-LBPRGKRZSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000874707660 678224925 /nfs/dbraw/zinc/22/49/25/678224925.db2.gz DWHCAFKLOJXLDA-LBPRGKRZSA-N 1 2 254.374 1.426 20 30 CDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)C[C@H]1c1ccccc1 ZINC000853619446 678240368 /nfs/dbraw/zinc/24/03/68/678240368.db2.gz BPCVRPAUJXAMSP-INIZCTEOSA-N 1 2 286.375 1.889 20 30 CDEDLO C#CCC[N@H+](CCOC)CN1C(=O)C[C@H]1c1ccccc1 ZINC000853619446 678240370 /nfs/dbraw/zinc/24/03/70/678240370.db2.gz BPCVRPAUJXAMSP-INIZCTEOSA-N 1 2 286.375 1.889 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C(/C)C3CC3)C[C@@H]21 ZINC001074185109 678241998 /nfs/dbraw/zinc/24/19/98/678241998.db2.gz XHABKNOTYKGGMP-BGCGFANUSA-N 1 2 290.407 1.830 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C(/C)C3CC3)C[C@@H]21 ZINC001074185109 678241999 /nfs/dbraw/zinc/24/19/99/678241999.db2.gz XHABKNOTYKGGMP-BGCGFANUSA-N 1 2 290.407 1.830 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccccc1)CO2 ZINC001053725044 678242585 /nfs/dbraw/zinc/24/25/85/678242585.db2.gz XDAPEDCKEBUZBA-HNNXBMFYSA-N 1 2 284.359 1.283 20 30 CDEDLO C=CCNC(=S)N[NH+]=C1CCCc2ccc(N)cc21 ZINC000814714702 678268330 /nfs/dbraw/zinc/26/83/30/678268330.db2.gz AJFFLRFZXSYIAM-UHFFFAOYSA-N 1 2 274.393 1.959 20 30 CDEDLO CCC[C@H]1C[N@@H+](CCO[C@H](C)C#N)CCN1CCOC ZINC000801941274 678282578 /nfs/dbraw/zinc/28/25/78/678282578.db2.gz XZCGXJVKMPDBKI-CABCVRRESA-N 1 2 283.416 1.348 20 30 CDEDLO C#CCCCS(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000804986837 678293713 /nfs/dbraw/zinc/29/37/13/678293713.db2.gz RTUVZOHXHNDSTG-ZDUSSCGKSA-N 1 2 281.381 1.263 20 30 CDEDLO C#CCOCC[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000851909513 678296092 /nfs/dbraw/zinc/29/60/92/678296092.db2.gz GGBMAJONFVBCPM-UHFFFAOYSA-N 1 2 281.359 1.880 20 30 CDEDLO C#CCOCC[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000851909513 678296094 /nfs/dbraw/zinc/29/60/94/678296094.db2.gz GGBMAJONFVBCPM-UHFFFAOYSA-N 1 2 281.359 1.880 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3cc[nH]c3c2)C1 ZINC001043973403 678307856 /nfs/dbraw/zinc/30/78/56/678307856.db2.gz JPCJRYAOPGQFBV-UHFFFAOYSA-N 1 2 281.359 1.947 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(OC)c(F)c2)C1 ZINC001030475411 678307909 /nfs/dbraw/zinc/30/79/09/678307909.db2.gz ZMAOJBHVJXGILD-UHFFFAOYSA-N 1 2 276.311 1.272 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(-c2ccco2)c1 ZINC001038391505 678357200 /nfs/dbraw/zinc/35/72/00/678357200.db2.gz ZVARPVFZIMOFNX-CQSZACIVSA-N 1 2 295.342 1.779 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc(-c2ccco2)c1 ZINC001038391505 678357204 /nfs/dbraw/zinc/35/72/04/678357204.db2.gz ZVARPVFZIMOFNX-CQSZACIVSA-N 1 2 295.342 1.779 20 30 CDEDLO C#CCOCC[NH2+]C1(C(=O)OC)CCCCCC1 ZINC000851885742 678360096 /nfs/dbraw/zinc/36/00/96/678360096.db2.gz KTSVDUYBQAUPJK-UHFFFAOYSA-N 1 2 253.342 1.492 20 30 CDEDLO C=C(C)CS(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000797822692 678417476 /nfs/dbraw/zinc/41/74/76/678417476.db2.gz XQIJEWPSRAMTJN-UHFFFAOYSA-N 1 2 291.376 1.868 20 30 CDEDLO Cc1nc(N(C)[C@H]2CCN(C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001056911698 678418404 /nfs/dbraw/zinc/41/84/04/678418404.db2.gz LPIBGIUZEYALGI-AWEZNQCLSA-N 1 2 284.363 1.236 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cn[nH]n1 ZINC001049569917 678426634 /nfs/dbraw/zinc/42/66/34/678426634.db2.gz HCGLCLLKTXYBLI-RYUDHWBXSA-N 1 2 295.774 1.236 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cn[nH]n1 ZINC001049569917 678426638 /nfs/dbraw/zinc/42/66/38/678426638.db2.gz HCGLCLLKTXYBLI-RYUDHWBXSA-N 1 2 295.774 1.236 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032319443 678431336 /nfs/dbraw/zinc/43/13/36/678431336.db2.gz SMSRTHPYGIGYNG-KCXAZCMYSA-N 1 2 294.358 1.503 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032319443 678431338 /nfs/dbraw/zinc/43/13/38/678431338.db2.gz SMSRTHPYGIGYNG-KCXAZCMYSA-N 1 2 294.358 1.503 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(F)cc1 ZINC001032317339 678439195 /nfs/dbraw/zinc/43/91/95/678439195.db2.gz ROBHIGHQNHECDH-UGFHNGPFSA-N 1 2 287.338 1.770 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(F)cc1 ZINC001032317339 678439197 /nfs/dbraw/zinc/43/91/97/678439197.db2.gz ROBHIGHQNHECDH-UGFHNGPFSA-N 1 2 287.338 1.770 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c(OC)c1 ZINC001017719229 678440753 /nfs/dbraw/zinc/44/07/53/678440753.db2.gz RPBZPBOCCAJNPU-IYBDPMFKSA-N 1 2 298.386 1.926 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c(OC)c1 ZINC001017719229 678440755 /nfs/dbraw/zinc/44/07/55/678440755.db2.gz RPBZPBOCCAJNPU-IYBDPMFKSA-N 1 2 298.386 1.926 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868018364 678456758 /nfs/dbraw/zinc/45/67/58/678456758.db2.gz KCKGYFQVMGAHKE-SCXUMTSISA-N 1 2 252.358 1.346 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccncc2)C1 ZINC001009900645 678462869 /nfs/dbraw/zinc/46/28/69/678462869.db2.gz VNSOMNYIYAUKRS-GFCCVEGCSA-N 1 2 265.744 1.638 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccncc2)C1 ZINC001009900645 678462873 /nfs/dbraw/zinc/46/28/73/678462873.db2.gz VNSOMNYIYAUKRS-GFCCVEGCSA-N 1 2 265.744 1.638 20 30 CDEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)C(C)(C)C ZINC000812021725 678463368 /nfs/dbraw/zinc/46/33/68/678463368.db2.gz YSFUTVUIHFLGJL-QWHCGFSZSA-N 1 2 281.400 1.054 20 30 CDEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCO[C@@H](C)C1)C(C)(C)C ZINC000812021725 678463372 /nfs/dbraw/zinc/46/33/72/678463372.db2.gz YSFUTVUIHFLGJL-QWHCGFSZSA-N 1 2 281.400 1.054 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H](CC)O1 ZINC001017594149 678467798 /nfs/dbraw/zinc/46/77/98/678467798.db2.gz OUTJWDSYAFXYBG-BARDWOONSA-N 1 2 276.380 1.252 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H](CC)O1 ZINC001017594149 678467803 /nfs/dbraw/zinc/46/78/03/678467803.db2.gz OUTJWDSYAFXYBG-BARDWOONSA-N 1 2 276.380 1.252 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CC(F)(F)C1)CO2 ZINC001053771451 678472813 /nfs/dbraw/zinc/47/28/13/678472813.db2.gz MJXFVJUAHMRRCE-GFCCVEGCSA-N 1 2 298.333 1.015 20 30 CDEDLO C#CC[N@@H+](CCS(=O)(=O)NC)[C@H]1CCc2ccccc21 ZINC000856722092 678473970 /nfs/dbraw/zinc/47/39/70/678473970.db2.gz MTZDMUSDNGEMHY-HNNXBMFYSA-N 1 2 292.404 1.158 20 30 CDEDLO C#CC[N@H+](CCS(=O)(=O)NC)[C@H]1CCc2ccccc21 ZINC000856722092 678473975 /nfs/dbraw/zinc/47/39/75/678473975.db2.gz MTZDMUSDNGEMHY-HNNXBMFYSA-N 1 2 292.404 1.158 20 30 CDEDLO N#C[C@@H]1CC[C@@H]([NH2+]c2ccc(N3CCNC(=O)C3)cc2)C1 ZINC000799721423 678479111 /nfs/dbraw/zinc/47/91/11/678479111.db2.gz FYBAEDIYLFLJAW-TZMCWYRMSA-N 1 2 284.363 1.727 20 30 CDEDLO C=CC[N@H+]1CC[C@@H](NC(=O)c2[nH]nc3c2C[C@H](C)CC3)C1 ZINC001015926656 678487742 /nfs/dbraw/zinc/48/77/42/678487742.db2.gz URRWUTCSOGTFPQ-VXGBXAGGSA-N 1 2 288.395 1.525 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc3c2C[C@H](C)CC3)C1 ZINC001015926656 678487746 /nfs/dbraw/zinc/48/77/46/678487746.db2.gz URRWUTCSOGTFPQ-VXGBXAGGSA-N 1 2 288.395 1.525 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001038343583 678500231 /nfs/dbraw/zinc/50/02/31/678500231.db2.gz AYYAPEGXKGCVHE-LBPRGKRZSA-N 1 2 278.302 1.792 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001038343583 678500234 /nfs/dbraw/zinc/50/02/34/678500234.db2.gz AYYAPEGXKGCVHE-LBPRGKRZSA-N 1 2 278.302 1.792 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c1C ZINC000782625339 678548140 /nfs/dbraw/zinc/54/81/40/678548140.db2.gz YTOHKKQNZCTSAK-WMLDXEAASA-N 1 2 288.391 1.788 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c1C ZINC000782625339 678548142 /nfs/dbraw/zinc/54/81/42/678548142.db2.gz YTOHKKQNZCTSAK-WMLDXEAASA-N 1 2 288.391 1.788 20 30 CDEDLO N#Cc1cccc(OCC(=O)OCCCn2cc[nH+]c2)c1 ZINC000783043584 678599858 /nfs/dbraw/zinc/59/98/58/678599858.db2.gz CIYMIUAJESZTJH-UHFFFAOYSA-N 1 2 285.303 1.767 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccccc2Cl)C1 ZINC001031354596 678614002 /nfs/dbraw/zinc/61/40/02/678614002.db2.gz QXAJREMDYYSJIW-UHFFFAOYSA-N 1 2 276.767 1.706 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C(C)C ZINC001017821665 678647338 /nfs/dbraw/zinc/64/73/38/678647338.db2.gz FCZKADRTDHFOJC-XQQFMLRXSA-N 1 2 252.333 1.289 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C(C)C ZINC001017821665 678647343 /nfs/dbraw/zinc/64/73/43/678647343.db2.gz FCZKADRTDHFOJC-XQQFMLRXSA-N 1 2 252.333 1.289 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C3CC3)on2)C1 ZINC001043495317 678651412 /nfs/dbraw/zinc/65/14/12/678651412.db2.gz COWJTTONDSBMFF-UHFFFAOYSA-N 1 2 273.336 1.332 20 30 CDEDLO C[C@@H]1CC(=NN2C(=O)c3ccncc3C2=O)C[N@@H+]1C1CC1 ZINC000841654059 678677803 /nfs/dbraw/zinc/67/78/03/678677803.db2.gz MNNOPNNRPRTQGS-SECBINFHSA-N 1 2 284.319 1.290 20 30 CDEDLO C[C@@H]1CC(=NN2C(=O)c3ccncc3C2=O)C[N@H+]1C1CC1 ZINC000841654059 678677806 /nfs/dbraw/zinc/67/78/06/678677806.db2.gz MNNOPNNRPRTQGS-SECBINFHSA-N 1 2 284.319 1.290 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCC[C@H](OC)C2)C1 ZINC001030868332 678679610 /nfs/dbraw/zinc/67/96/10/678679610.db2.gz FXWNDQVBPOFADP-OCCSQVGLSA-N 1 2 264.369 1.015 20 30 CDEDLO CN(C)c1ncc(C=[NH+]Nc2ccnc3ccccc32)cn1 ZINC000814841083 678686123 /nfs/dbraw/zinc/68/61/23/678686123.db2.gz AEXNMCCMXDFFSJ-UHFFFAOYSA-N 1 2 292.346 1.959 20 30 CDEDLO CN(C)c1ncc(C=[NH+][N-]c2cc[nH+]c3ccccc23)cn1 ZINC000814841083 678686125 /nfs/dbraw/zinc/68/61/25/678686125.db2.gz AEXNMCCMXDFFSJ-UHFFFAOYSA-N 1 2 292.346 1.959 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2nccc3[nH]ccc32)C1 ZINC001030975521 678686544 /nfs/dbraw/zinc/68/65/44/678686544.db2.gz XOCIUTCFHJRUQT-UHFFFAOYSA-N 1 2 268.320 1.000 20 30 CDEDLO C=C(Cl)CN1CC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001030513491 678703294 /nfs/dbraw/zinc/70/32/94/678703294.db2.gz KKCWPRDHDULXDC-UHFFFAOYSA-N 1 2 296.802 1.480 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cncn2C)C1 ZINC001046451887 678709706 /nfs/dbraw/zinc/70/97/06/678709706.db2.gz PHYIGZJFTWHRQD-CYBMUJFWSA-N 1 2 282.775 1.367 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cncn2C)C1 ZINC001046451887 678709707 /nfs/dbraw/zinc/70/97/07/678709707.db2.gz PHYIGZJFTWHRQD-CYBMUJFWSA-N 1 2 282.775 1.367 20 30 CDEDLO N#Cc1cc(F)cc(NC(=O)/C=C\C[NH+]2CCOCC2)c1 ZINC000869862171 678761357 /nfs/dbraw/zinc/76/13/57/678761357.db2.gz XWMFDTKYUABTSV-UPHRSURJSA-N 1 2 289.310 1.524 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnoc2C(C)C)C1 ZINC001009071515 678771969 /nfs/dbraw/zinc/77/19/69/678771969.db2.gz FBRQOOUNBLQUOX-GFCCVEGCSA-N 1 2 275.352 1.625 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnoc2C(C)C)C1 ZINC001009071515 678771972 /nfs/dbraw/zinc/77/19/72/678771972.db2.gz FBRQOOUNBLQUOX-GFCCVEGCSA-N 1 2 275.352 1.625 20 30 CDEDLO C[C@H](C#N)OCC[N@@H+]1CCCC[C@H]1C(=O)NCC(F)F ZINC000832130367 678781411 /nfs/dbraw/zinc/78/14/11/678781411.db2.gz STVHIQNTWNDPGE-MNOVXSKESA-N 1 2 289.326 1.151 20 30 CDEDLO C[C@H](C#N)OCC[N@H+]1CCCC[C@H]1C(=O)NCC(F)F ZINC000832130367 678781413 /nfs/dbraw/zinc/78/14/13/678781413.db2.gz STVHIQNTWNDPGE-MNOVXSKESA-N 1 2 289.326 1.151 20 30 CDEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccccc3)CC2)C1 ZINC001045996911 678785452 /nfs/dbraw/zinc/78/54/52/678785452.db2.gz KFZRPVSKMXXJKS-MRXNPFEDSA-N 1 2 298.390 1.042 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCC[C@@H]2OC)C1 ZINC001031465670 678791699 /nfs/dbraw/zinc/79/16/99/678791699.db2.gz LITNFFMSZZKDNM-KGLIPLIRSA-N 1 2 264.369 1.015 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCC[C@@H]1CC ZINC000884166641 678792667 /nfs/dbraw/zinc/79/26/67/678792667.db2.gz HSYSCVXKYKXXCQ-SRVKXCTJSA-N 1 2 268.357 1.128 20 30 CDEDLO Fc1cnc(N=NCc2c[nH+]c3n2CCC3)c(F)c1 ZINC000853356504 678820067 /nfs/dbraw/zinc/82/00/67/678820067.db2.gz VWHBLCKZBCLVIJ-UHFFFAOYSA-N 1 2 263.251 1.949 20 30 CDEDLO COc1cc(F)cc(N[NH+]=Cc2cnc(N)nc2)c1 ZINC000781595226 678838354 /nfs/dbraw/zinc/83/83/54/678838354.db2.gz MLULJSJOQFRTAZ-UHFFFAOYSA-N 1 2 261.260 1.653 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C[C@H]1CCCO1 ZINC001018324505 678877312 /nfs/dbraw/zinc/87/73/12/678877312.db2.gz HLCBBMYXMAXAKK-CAOSSQGBSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C[C@H]1CCCO1 ZINC001018324505 678877314 /nfs/dbraw/zinc/87/73/14/678877314.db2.gz HLCBBMYXMAXAKK-CAOSSQGBSA-N 1 2 290.407 1.500 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586388 678879631 /nfs/dbraw/zinc/87/96/31/678879631.db2.gz OAKMSJGQVJRQJS-MFKMUULPSA-N 1 2 263.297 1.862 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586388 678879634 /nfs/dbraw/zinc/87/96/34/678879634.db2.gz OAKMSJGQVJRQJS-MFKMUULPSA-N 1 2 263.297 1.862 20 30 CDEDLO C#CCCS(=O)(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000279535522 678880733 /nfs/dbraw/zinc/88/07/33/678880733.db2.gz UZKVHSORABHOOV-UHFFFAOYSA-N 1 2 293.392 1.125 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CC[C@H](C(=O)OCC)C2)nn1 ZINC000932641456 678902615 /nfs/dbraw/zinc/90/26/15/678902615.db2.gz JMVYHDXWBJQHCL-LBPRGKRZSA-N 1 2 278.356 1.239 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](C(=O)OCC)C2)nn1 ZINC000932641456 678902619 /nfs/dbraw/zinc/90/26/19/678902619.db2.gz JMVYHDXWBJQHCL-LBPRGKRZSA-N 1 2 278.356 1.239 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OC)cc1OC ZINC000042329431 678918888 /nfs/dbraw/zinc/91/88/88/678918888.db2.gz OWGQVOOEPVZYDX-LBPRGKRZSA-N 1 2 290.363 1.274 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1ccc(OC)cc1OC ZINC000042329431 678918890 /nfs/dbraw/zinc/91/88/90/678918890.db2.gz OWGQVOOEPVZYDX-LBPRGKRZSA-N 1 2 290.363 1.274 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn3ccc(C)nc23)C1 ZINC001031271085 678972741 /nfs/dbraw/zinc/97/27/41/678972741.db2.gz VJEQHDLBMCHLBT-UHFFFAOYSA-N 1 2 285.351 1.028 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc3c(s2)CCOC3)C1 ZINC001016024072 678974653 /nfs/dbraw/zinc/97/46/53/678974653.db2.gz OFTIJKGCUSCZEM-GFCCVEGCSA-N 1 2 290.388 1.258 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c(s2)CCOC3)C1 ZINC001016024072 678974656 /nfs/dbraw/zinc/97/46/56/678974656.db2.gz OFTIJKGCUSCZEM-GFCCVEGCSA-N 1 2 290.388 1.258 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1nc(CC)oc1C ZINC001038804957 678979822 /nfs/dbraw/zinc/97/98/22/678979822.db2.gz UJKLYBYXPURKPM-NSHDSACASA-N 1 2 263.341 1.536 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1nc(CC)oc1C ZINC001038804957 678979824 /nfs/dbraw/zinc/97/98/24/678979824.db2.gz UJKLYBYXPURKPM-NSHDSACASA-N 1 2 263.341 1.536 20 30 CDEDLO C=C(C)C(C)(C)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000820467966 678983939 /nfs/dbraw/zinc/98/39/39/678983939.db2.gz DKHNLXLULSKJLC-LBPRGKRZSA-N 1 2 255.358 1.853 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2snnc2C2CC2)C1 ZINC001014813013 678990253 /nfs/dbraw/zinc/99/02/53/678990253.db2.gz XLBMHIDNAQAFEZ-LLVKDONJSA-N 1 2 290.392 1.243 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2snnc2C2CC2)C1 ZINC001014813013 678990256 /nfs/dbraw/zinc/99/02/56/678990256.db2.gz XLBMHIDNAQAFEZ-LLVKDONJSA-N 1 2 290.392 1.243 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933397390 678991501 /nfs/dbraw/zinc/99/15/01/678991501.db2.gz BVOQRUKRDAIZSK-LBPRGKRZSA-N 1 2 290.367 1.227 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933397390 678991506 /nfs/dbraw/zinc/99/15/06/678991506.db2.gz BVOQRUKRDAIZSK-LBPRGKRZSA-N 1 2 290.367 1.227 20 30 CDEDLO C[C@@H]1NC(=O)[C@H](C)[N@H+](CCOc2cccc(C#N)c2)[C@H]1C ZINC000930834469 678996304 /nfs/dbraw/zinc/99/63/04/678996304.db2.gz VYATYPKYOABZIW-AVGNSLFASA-N 1 2 287.363 1.534 20 30 CDEDLO C[C@@H]1NC(=O)[C@H](C)[N@@H+](CCOc2cccc(C#N)c2)[C@H]1C ZINC000930834469 678996307 /nfs/dbraw/zinc/99/63/07/678996307.db2.gz VYATYPKYOABZIW-AVGNSLFASA-N 1 2 287.363 1.534 20 30 CDEDLO C=C(CC)CNC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875651987 678998073 /nfs/dbraw/zinc/99/80/73/678998073.db2.gz YUBKMYZIJNNCHX-ZDUSSCGKSA-N 1 2 269.389 1.363 20 30 CDEDLO C=C(CC)CNC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875651987 678998077 /nfs/dbraw/zinc/99/80/77/678998077.db2.gz YUBKMYZIJNNCHX-ZDUSSCGKSA-N 1 2 269.389 1.363 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1nccc2[nH]ccc21 ZINC001038717761 679010434 /nfs/dbraw/zinc/01/04/34/679010434.db2.gz VIZAGEYSRKJFCI-LBPRGKRZSA-N 1 2 282.347 1.390 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1nccc2[nH]ccc21 ZINC001038717761 679010437 /nfs/dbraw/zinc/01/04/37/679010437.db2.gz VIZAGEYSRKJFCI-LBPRGKRZSA-N 1 2 282.347 1.390 20 30 CDEDLO Cc1noc([C@H]2CCC[N@H+]2CCO[C@@H](C)C#N)n1 ZINC000796697883 679011074 /nfs/dbraw/zinc/01/10/74/679011074.db2.gz ZDJMOKLUPPLVBU-GXSJLCMTSA-N 1 2 250.302 1.444 20 30 CDEDLO Cc1noc([C@H]2CCC[N@@H+]2CCO[C@@H](C)C#N)n1 ZINC000796697883 679011076 /nfs/dbraw/zinc/01/10/76/679011076.db2.gz ZDJMOKLUPPLVBU-GXSJLCMTSA-N 1 2 250.302 1.444 20 30 CDEDLO CC#CCN1CC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001038255325 679015939 /nfs/dbraw/zinc/01/59/39/679015939.db2.gz VVCVLDQRSBDKLV-HNNXBMFYSA-N 1 2 296.374 1.470 20 30 CDEDLO C[C@H]1CCN(CC#N)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000966919574 679017401 /nfs/dbraw/zinc/01/74/01/679017401.db2.gz ZLPWAROIVCMVHH-XHDPSFHLSA-N 1 2 297.362 1.527 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1-n1cccc1 ZINC001038666941 679020087 /nfs/dbraw/zinc/02/00/87/679020087.db2.gz QPUQMYPIJYQZOH-HNNXBMFYSA-N 1 2 293.370 1.915 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1-n1cccc1 ZINC001038666941 679020088 /nfs/dbraw/zinc/02/00/88/679020088.db2.gz QPUQMYPIJYQZOH-HNNXBMFYSA-N 1 2 293.370 1.915 20 30 CDEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3C[C@H]3C)c2C1 ZINC001069852521 679022406 /nfs/dbraw/zinc/02/24/06/679022406.db2.gz VEKLMUWXQOOXCH-TZMCWYRMSA-N 1 2 288.395 1.547 20 30 CDEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3C[C@H]3C)c2C1 ZINC001069852521 679022408 /nfs/dbraw/zinc/02/24/08/679022408.db2.gz VEKLMUWXQOOXCH-TZMCWYRMSA-N 1 2 288.395 1.547 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(F)c1 ZINC001032259816 679024328 /nfs/dbraw/zinc/02/43/28/679024328.db2.gz BLDDLJMRQORIJT-KBPBESRZSA-N 1 2 258.296 1.358 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(F)c1 ZINC001032259816 679024331 /nfs/dbraw/zinc/02/43/31/679024331.db2.gz BLDDLJMRQORIJT-KBPBESRZSA-N 1 2 258.296 1.358 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(OC(C)C)n1 ZINC001038867336 679025225 /nfs/dbraw/zinc/02/52/25/679025225.db2.gz KCXIRQSTEQQHEY-CYBMUJFWSA-N 1 2 287.363 1.306 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(OC(C)C)n1 ZINC001038867336 679025227 /nfs/dbraw/zinc/02/52/27/679025227.db2.gz KCXIRQSTEQQHEY-CYBMUJFWSA-N 1 2 287.363 1.306 20 30 CDEDLO CCOc1ccc(O)c(C=NNc2[nH+]ccn2C)c1 ZINC000790300713 679062909 /nfs/dbraw/zinc/06/29/09/679062909.db2.gz ZLEXTBRXTXMJJV-UHFFFAOYSA-N 1 2 260.297 1.970 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccon2)[C@H]1C ZINC000993162028 679071729 /nfs/dbraw/zinc/07/17/29/679071729.db2.gz UEFCFCISRBDMMO-DGCLKSJQSA-N 1 2 297.786 1.939 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccon2)[C@H]1C ZINC000993162028 679071732 /nfs/dbraw/zinc/07/17/32/679071732.db2.gz UEFCFCISRBDMMO-DGCLKSJQSA-N 1 2 297.786 1.939 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC1(F)F)CCO2 ZINC001053244175 679093307 /nfs/dbraw/zinc/09/33/07/679093307.db2.gz DZAZEYWONKYUGK-NSHDSACASA-N 1 2 286.322 1.131 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1Cc2ccccc2C1 ZINC001038743668 679113522 /nfs/dbraw/zinc/11/35/22/679113522.db2.gz QSICIPUHBQLFGT-MRXNPFEDSA-N 1 2 268.360 1.225 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1Cc2ccccc2C1 ZINC001038743668 679113524 /nfs/dbraw/zinc/11/35/24/679113524.db2.gz QSICIPUHBQLFGT-MRXNPFEDSA-N 1 2 268.360 1.225 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCc2ccccc21 ZINC000884044178 679116666 /nfs/dbraw/zinc/11/66/66/679116666.db2.gz XWUUMPJDQPNWHN-ZDUSSCGKSA-N 1 2 288.347 1.412 20 30 CDEDLO COc1c(C)c[nH+]c(CNC(=O)c2c[nH]c(C#N)c2)c1C ZINC000776962018 679126542 /nfs/dbraw/zinc/12/65/42/679126542.db2.gz HQHUXIMACUEYIW-UHFFFAOYSA-N 1 2 284.319 1.837 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C2CCCC2)n1 ZINC001032428039 679129907 /nfs/dbraw/zinc/12/99/07/679129907.db2.gz FZKFFQWCQJBHTE-GJZGRUSLSA-N 1 2 298.390 1.530 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C2CCCC2)n1 ZINC001032428039 679129909 /nfs/dbraw/zinc/12/99/09/679129909.db2.gz FZKFFQWCQJBHTE-GJZGRUSLSA-N 1 2 298.390 1.530 20 30 CDEDLO C=C[C@@](C)(O)c1cn(Cc2ccc(N(C)C)[nH+]c2)nn1 ZINC000881381095 679133629 /nfs/dbraw/zinc/13/36/29/679133629.db2.gz PCXYPUHMRFRKJE-CQSZACIVSA-N 1 2 273.340 1.181 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCO[C@H]2C)CC1 ZINC001001307626 679135858 /nfs/dbraw/zinc/13/58/58/679135858.db2.gz VLDCTDDEJAMNRA-GXTWGEPZSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCO[C@H]2C)CC1 ZINC001001307626 679135859 /nfs/dbraw/zinc/13/58/59/679135859.db2.gz VLDCTDDEJAMNRA-GXTWGEPZSA-N 1 2 298.814 1.912 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(C#N)o2)C1 ZINC000351262058 679149817 /nfs/dbraw/zinc/14/98/17/679149817.db2.gz OCSUCSDCOOVSRW-LLVKDONJSA-N 1 2 284.319 1.905 20 30 CDEDLO C[C@@H]1CSCC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000792720469 679152843 /nfs/dbraw/zinc/15/28/43/679152843.db2.gz PGYWFHWVWYFVRU-NSHDSACASA-N 1 2 263.366 1.362 20 30 CDEDLO C[C@@H]1CSCC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000792720469 679152844 /nfs/dbraw/zinc/15/28/44/679152844.db2.gz PGYWFHWVWYFVRU-NSHDSACASA-N 1 2 263.366 1.362 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@H](Cc2ccccc2)CC1=O ZINC000872600764 679167625 /nfs/dbraw/zinc/16/76/25/679167625.db2.gz IZRLJOUGXOCITF-HOCLYGCPSA-N 1 2 270.376 1.989 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@H](Cc2ccccc2)CC1=O ZINC000872600764 679167628 /nfs/dbraw/zinc/16/76/28/679167628.db2.gz IZRLJOUGXOCITF-HOCLYGCPSA-N 1 2 270.376 1.989 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2CC(F)(F)C2)C1 ZINC001035333012 679168486 /nfs/dbraw/zinc/16/84/86/679168486.db2.gz GSPCNXZOTFGQOG-LBPRGKRZSA-N 1 2 288.338 1.425 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C2CC(F)(F)C2)C1 ZINC001035333012 679168488 /nfs/dbraw/zinc/16/84/88/679168488.db2.gz GSPCNXZOTFGQOG-LBPRGKRZSA-N 1 2 288.338 1.425 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cn(CC)cn1 ZINC001028267417 679170536 /nfs/dbraw/zinc/17/05/36/679170536.db2.gz JNRNDSRMWJRCMM-LBPRGKRZSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cn(CC)cn1 ZINC001028267417 679170537 /nfs/dbraw/zinc/17/05/37/679170537.db2.gz JNRNDSRMWJRCMM-LBPRGKRZSA-N 1 2 296.802 1.850 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)cc1 ZINC001032747986 679175335 /nfs/dbraw/zinc/17/53/35/679175335.db2.gz TZTGCYCPYUTVJF-KBPBESRZSA-N 1 2 270.332 1.227 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)cc1 ZINC001032747986 679175337 /nfs/dbraw/zinc/17/53/37/679175337.db2.gz TZTGCYCPYUTVJF-KBPBESRZSA-N 1 2 270.332 1.227 20 30 CDEDLO N#Cc1cccc(C[NH+]2CC(CNC(=O)C(F)(F)F)C2)c1 ZINC000877778566 679175341 /nfs/dbraw/zinc/17/53/41/679175341.db2.gz QZYBKZKWDNFBDS-UHFFFAOYSA-N 1 2 297.280 1.669 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)CC ZINC001017808299 679177536 /nfs/dbraw/zinc/17/75/36/679177536.db2.gz ORWKNCNQVZDVMR-XQQFMLRXSA-N 1 2 252.333 1.433 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)CC ZINC001017808299 679177538 /nfs/dbraw/zinc/17/75/38/679177538.db2.gz ORWKNCNQVZDVMR-XQQFMLRXSA-N 1 2 252.333 1.433 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001073729843 679182892 /nfs/dbraw/zinc/18/28/92/679182892.db2.gz YIQISTZOVBYTMH-RAIGVLPGSA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001073729843 679182893 /nfs/dbraw/zinc/18/28/93/679182893.db2.gz YIQISTZOVBYTMH-RAIGVLPGSA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cnccc2C)C1 ZINC001010422147 679189694 /nfs/dbraw/zinc/18/96/94/679189694.db2.gz UYEXUWWAHAVDCE-GFCCVEGCSA-N 1 2 279.771 1.947 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cnccc2C)C1 ZINC001010422147 679189695 /nfs/dbraw/zinc/18/96/95/679189695.db2.gz UYEXUWWAHAVDCE-GFCCVEGCSA-N 1 2 279.771 1.947 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c2ccccc21 ZINC001032762456 679190888 /nfs/dbraw/zinc/19/08/88/679190888.db2.gz LZSDUALTHQYSFX-RYUDHWBXSA-N 1 2 280.331 1.095 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c2ccccc21 ZINC001032762456 679190889 /nfs/dbraw/zinc/19/08/89/679190889.db2.gz LZSDUALTHQYSFX-RYUDHWBXSA-N 1 2 280.331 1.095 20 30 CDEDLO C=CCOc1cccnc1C(=O)NC[C@@H]1CC[N@H+]1CC#CC ZINC001038904629 679196607 /nfs/dbraw/zinc/19/66/07/679196607.db2.gz JVJHPQRSMLDZDT-AWEZNQCLSA-N 1 2 299.374 1.474 20 30 CDEDLO C=CCOc1cccnc1C(=O)NC[C@@H]1CC[N@@H+]1CC#CC ZINC001038904629 679196612 /nfs/dbraw/zinc/19/66/12/679196612.db2.gz JVJHPQRSMLDZDT-AWEZNQCLSA-N 1 2 299.374 1.474 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1occ2c1CCC2 ZINC001038565931 679198273 /nfs/dbraw/zinc/19/82/73/679198273.db2.gz ZJTFPSSRKQKXKL-LBPRGKRZSA-N 1 2 258.321 1.206 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(CC#N)ccn1 ZINC000871719958 679224651 /nfs/dbraw/zinc/22/46/51/679224651.db2.gz POWCMVLWOYDULL-LLVKDONJSA-N 1 2 284.323 1.554 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)nn(CCC)c1C ZINC001038895933 679355609 /nfs/dbraw/zinc/35/56/09/679355609.db2.gz WZYLMBOKUVHBTG-CQSZACIVSA-N 1 2 288.395 1.347 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)nn(CCC)c1C ZINC001038895933 679355610 /nfs/dbraw/zinc/35/56/10/679355610.db2.gz WZYLMBOKUVHBTG-CQSZACIVSA-N 1 2 288.395 1.347 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc3n(c2)CCCC3)C1 ZINC001031500788 679360169 /nfs/dbraw/zinc/36/01/69/679360169.db2.gz DCMYPNULSBUSOG-UHFFFAOYSA-N 1 2 271.364 1.262 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3ncsc3c2)C1 ZINC001031348800 679363690 /nfs/dbraw/zinc/36/36/90/679363690.db2.gz AWUOFFISCDBAAO-UHFFFAOYSA-N 1 2 285.372 1.734 20 30 CDEDLO C#CC[C@H](CO)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000854540975 679364688 /nfs/dbraw/zinc/36/46/88/679364688.db2.gz DMEUUYOWNDLWKV-HUUCEWRRSA-N 1 2 297.358 1.432 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)cn1C ZINC001032509264 679384367 /nfs/dbraw/zinc/38/43/67/679384367.db2.gz ZIARHLHCSORUIG-STQMWFEESA-N 1 2 291.782 1.601 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)cn1C ZINC001032509264 679384372 /nfs/dbraw/zinc/38/43/72/679384372.db2.gz ZIARHLHCSORUIG-STQMWFEESA-N 1 2 291.782 1.601 20 30 CDEDLO C#C[C@@H](C)N(C)c1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000853540053 679395402 /nfs/dbraw/zinc/39/54/02/679395402.db2.gz FQDFZPMFYQMQQL-GFCCVEGCSA-N 1 2 274.368 1.286 20 30 CDEDLO C#C[C@@H](C)N(C)c1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000853540053 679395405 /nfs/dbraw/zinc/39/54/05/679395405.db2.gz FQDFZPMFYQMQQL-GFCCVEGCSA-N 1 2 274.368 1.286 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn(C(F)F)c2)C1 ZINC001044094905 679398938 /nfs/dbraw/zinc/39/89/38/679398938.db2.gz WLTHCHRNPBIEFF-UHFFFAOYSA-N 1 2 284.310 1.611 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(CC(C)C)n1 ZINC001038310527 679400128 /nfs/dbraw/zinc/40/01/28/679400128.db2.gz LGAQZJJQMWMZGS-CQSZACIVSA-N 1 2 288.395 1.367 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(CC(C)C)n1 ZINC001038310527 679400131 /nfs/dbraw/zinc/40/01/31/679400131.db2.gz LGAQZJJQMWMZGS-CQSZACIVSA-N 1 2 288.395 1.367 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nn1C ZINC001017390495 679403769 /nfs/dbraw/zinc/40/37/69/679403769.db2.gz OFAAZAWCLMOEAH-OKILXGFUSA-N 1 2 286.379 1.041 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nn1C ZINC001017390495 679403770 /nfs/dbraw/zinc/40/37/70/679403770.db2.gz OFAAZAWCLMOEAH-OKILXGFUSA-N 1 2 286.379 1.041 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC001038432880 679406010 /nfs/dbraw/zinc/40/60/10/679406010.db2.gz VPHFZJLYNPBOOA-CYBMUJFWSA-N 1 2 257.337 1.136 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC001038432880 679406012 /nfs/dbraw/zinc/40/60/12/679406012.db2.gz VPHFZJLYNPBOOA-CYBMUJFWSA-N 1 2 257.337 1.136 20 30 CDEDLO C=CCN1CC[C@H](O[NH+]=C(N)c2ccccc2C)C1=O ZINC000883058845 679406867 /nfs/dbraw/zinc/40/68/67/679406867.db2.gz DFOOKYUESMPYER-ZDUSSCGKSA-N 1 2 273.336 1.628 20 30 CDEDLO Cc1cc(N2CCN(C(=O)[C@H](C)C#N)CC2)nc(C2CC2)[nH+]1 ZINC001055742482 679427902 /nfs/dbraw/zinc/42/79/02/679427902.db2.gz RZQPAWNRUCZGFG-LLVKDONJSA-N 1 2 299.378 1.471 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2c(C)cccc2F)C1 ZINC001035619206 679429214 /nfs/dbraw/zinc/42/92/14/679429214.db2.gz XBTOVMRKWPMSTJ-CYBMUJFWSA-N 1 2 292.354 1.751 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2c(C)cccc2F)C1 ZINC001035619206 679429216 /nfs/dbraw/zinc/42/92/16/679429216.db2.gz XBTOVMRKWPMSTJ-CYBMUJFWSA-N 1 2 292.354 1.751 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1sc(N(C)C)nc1C ZINC001038773145 679432937 /nfs/dbraw/zinc/43/29/37/679432937.db2.gz HVVUPIVSVGOCIJ-LLVKDONJSA-N 1 2 294.424 1.508 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1sc(N(C)C)nc1C ZINC001038773145 679432942 /nfs/dbraw/zinc/43/29/42/679432942.db2.gz HVVUPIVSVGOCIJ-LLVKDONJSA-N 1 2 294.424 1.508 20 30 CDEDLO C=CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001046313120 679435105 /nfs/dbraw/zinc/43/51/05/679435105.db2.gz PLEMCCJATIRRAF-LRDDRELGSA-N 1 2 288.395 1.596 20 30 CDEDLO C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001046313120 679435109 /nfs/dbraw/zinc/43/51/09/679435109.db2.gz PLEMCCJATIRRAF-LRDDRELGSA-N 1 2 288.395 1.596 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCCC1CCCCC1 ZINC000884082370 679449676 /nfs/dbraw/zinc/44/96/76/679449676.db2.gz DHKYKCWXKBCTMZ-AWEZNQCLSA-N 1 2 296.411 1.910 20 30 CDEDLO C=CCOCCO[NH+]=C(N)Cc1ccc(OC)c(OC)c1 ZINC000842023975 679462960 /nfs/dbraw/zinc/46/29/60/679462960.db2.gz IOPSVCJWCWNXBF-UHFFFAOYSA-N 1 2 294.351 1.947 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2oncc2C)C1 ZINC001046739222 679480746 /nfs/dbraw/zinc/48/07/46/679480746.db2.gz KPDBGXRPDIWGMO-ZDUSSCGKSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2oncc2C)C1 ZINC001046739222 679480749 /nfs/dbraw/zinc/48/07/49/679480749.db2.gz KPDBGXRPDIWGMO-ZDUSSCGKSA-N 1 2 283.759 1.930 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2cc(C)ccc2OC)C1 ZINC001030627330 679484730 /nfs/dbraw/zinc/48/47/30/679484730.db2.gz PDEPCWGMGAEIRM-UHFFFAOYSA-N 1 2 274.364 1.533 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(C(C)C)cn2)C1 ZINC001043869307 679494152 /nfs/dbraw/zinc/49/41/52/679494152.db2.gz XAZJEPRESDNTCN-UHFFFAOYSA-N 1 2 285.391 1.985 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(F)c(F)c1 ZINC000884068227 679502234 /nfs/dbraw/zinc/50/22/34/679502234.db2.gz IRPOJDYRJSJEPZ-LBPRGKRZSA-N 1 2 298.289 1.028 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001038539810 679504448 /nfs/dbraw/zinc/50/44/48/679504448.db2.gz DQYOYMGGIUWFCV-XQLPTFJDSA-N 1 2 260.381 1.636 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001038539810 679504451 /nfs/dbraw/zinc/50/44/51/679504451.db2.gz DQYOYMGGIUWFCV-XQLPTFJDSA-N 1 2 260.381 1.636 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001030844622 679505302 /nfs/dbraw/zinc/50/53/02/679505302.db2.gz YGVFNWDXAHYVPP-SNVBAGLBSA-N 1 2 258.312 1.798 20 30 CDEDLO C#CCOc1cccc(Cl)c1C[NH+]1CC(C(=O)NC)C1 ZINC000839141951 679520879 /nfs/dbraw/zinc/52/08/79/679520879.db2.gz BHZZUXNRWRFNMR-UHFFFAOYSA-N 1 2 292.766 1.530 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ocnc1C ZINC001017447798 679530365 /nfs/dbraw/zinc/53/03/65/679530365.db2.gz KTEIUVWLISUKDC-TXEJJXNPSA-N 1 2 261.325 1.458 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ocnc1C ZINC001017447798 679530371 /nfs/dbraw/zinc/53/03/71/679530371.db2.gz KTEIUVWLISUKDC-TXEJJXNPSA-N 1 2 261.325 1.458 20 30 CDEDLO OC[C@@H](NN=Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000788462723 679563263 /nfs/dbraw/zinc/56/32/63/679563263.db2.gz YVGJEVHFCNXMMY-OAHLLOKOSA-N 1 2 280.331 1.991 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CO[C@@H](C)C2)C1 ZINC001031790068 679594445 /nfs/dbraw/zinc/59/44/45/679594445.db2.gz QYINOVPFWSEAPA-CMPLNLGQSA-N 1 2 272.776 1.212 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccccn3)cc2C1 ZINC001054251512 679611460 /nfs/dbraw/zinc/61/14/60/679611460.db2.gz GLCWKXZLFYWPQD-UHFFFAOYSA-N 1 2 291.354 1.960 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccccn3)cc2C1 ZINC001054251512 679611465 /nfs/dbraw/zinc/61/14/65/679611465.db2.gz GLCWKXZLFYWPQD-UHFFFAOYSA-N 1 2 291.354 1.960 20 30 CDEDLO C#CC1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000826715579 679613668 /nfs/dbraw/zinc/61/36/68/679613668.db2.gz RBKIYZJJZJPRPA-UHFFFAOYSA-N 1 2 288.420 1.879 20 30 CDEDLO C#CC1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000826715579 679613671 /nfs/dbraw/zinc/61/36/71/679613671.db2.gz RBKIYZJJZJPRPA-UHFFFAOYSA-N 1 2 288.420 1.879 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC(=O)NCC2(C)C)cc1 ZINC000800539009 679630442 /nfs/dbraw/zinc/63/04/42/679630442.db2.gz KLTPNANLSAXICA-GFCCVEGCSA-N 1 2 287.363 1.688 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CC(=O)NCC2(C)C)cc1 ZINC000800539009 679630443 /nfs/dbraw/zinc/63/04/43/679630443.db2.gz KLTPNANLSAXICA-GFCCVEGCSA-N 1 2 287.363 1.688 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(SC)cc1 ZINC000884061529 679634773 /nfs/dbraw/zinc/63/47/73/679634773.db2.gz KEGOQZYXNYCHRB-LBPRGKRZSA-N 1 2 294.376 1.794 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@]1(C)C=CCC1)CO2 ZINC001053896294 679642968 /nfs/dbraw/zinc/64/29/68/679642968.db2.gz VMGCAIAIEQLKIL-ZBFHGGJFSA-N 1 2 288.391 1.326 20 30 CDEDLO CC#CCCCC(=O)NC[C@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113824341 1162329837 /nfs/dbraw/zinc/32/98/37/1162329837.db2.gz RCPQRFLKEAWQDK-ZDUSSCGKSA-N 1 2 288.395 1.920 20 30 CDEDLO N#CCN[C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000970396095 1158568948 /nfs/dbraw/zinc/56/89/48/1158568948.db2.gz IQYNPMVMNCFULD-CQSZACIVSA-N 1 2 295.346 1.200 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)COC ZINC001752814604 1160498674 /nfs/dbraw/zinc/49/86/74/1160498674.db2.gz VAWUUFMTXCMFSD-LLVKDONJSA-N 1 2 260.765 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)COC ZINC001752814604 1160498677 /nfs/dbraw/zinc/49/86/77/1160498677.db2.gz VAWUUFMTXCMFSD-LLVKDONJSA-N 1 2 260.765 1.356 20 30 CDEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001113232414 1162134174 /nfs/dbraw/zinc/13/41/74/1162134174.db2.gz PBYFCXFMFODCGR-KGLIPLIRSA-N 1 2 290.411 1.523 20 30 CDEDLO N#CCNC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001725031029 1181826809 /nfs/dbraw/zinc/82/68/09/1181826809.db2.gz XIIZBLCRHYLQQN-YNEHKIRRSA-N 1 2 287.367 1.007 20 30 CDEDLO N#CCNC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001725031029 1181826816 /nfs/dbraw/zinc/82/68/16/1181826816.db2.gz XIIZBLCRHYLQQN-YNEHKIRRSA-N 1 2 287.367 1.007 20 30 CDEDLO CC#CCN1CC[NH+](CCNC(=O)CCC2CCC2)CC1 ZINC001752364770 1184854101 /nfs/dbraw/zinc/85/41/01/1184854101.db2.gz DMIFLXZXJQBNAL-UHFFFAOYSA-N 1 2 291.439 1.324 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CCCCO1 ZINC001753045761 1185014198 /nfs/dbraw/zinc/01/41/98/1185014198.db2.gz CDSXWYWWXLZLEU-NSHDSACASA-N 1 2 260.765 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CCCCO1 ZINC001753045761 1185014204 /nfs/dbraw/zinc/01/42/04/1185014204.db2.gz CDSXWYWWXLZLEU-NSHDSACASA-N 1 2 260.765 1.356 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C#CC(C)C ZINC001753081560 1185047564 /nfs/dbraw/zinc/04/75/64/1185047564.db2.gz KIDCASZFPQWKGA-UHFFFAOYSA-N 1 2 256.777 1.836 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C#CC(C)C ZINC001753081560 1185047567 /nfs/dbraw/zinc/04/75/67/1185047567.db2.gz KIDCASZFPQWKGA-UHFFFAOYSA-N 1 2 256.777 1.836 20 30 CDEDLO C=CCOCC(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(C)on1 ZINC001753097077 1185057326 /nfs/dbraw/zinc/05/73/26/1185057326.db2.gz KSMQYCMUGXHQKQ-AWEZNQCLSA-N 1 2 293.367 1.266 20 30 CDEDLO C=CCOCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(C)on1 ZINC001753097077 1185057331 /nfs/dbraw/zinc/05/73/31/1185057331.db2.gz KSMQYCMUGXHQKQ-AWEZNQCLSA-N 1 2 293.367 1.266 20 30 CDEDLO C[C@H]([NH2+]CCN(C)C(=O)C#CC(C)(C)C)c1csnn1 ZINC001753187632 1185109932 /nfs/dbraw/zinc/10/99/32/1185109932.db2.gz OOSDVIDALQELBU-NSHDSACASA-N 1 2 294.424 1.697 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)CC[C@@H]2CC[C@@H](C)O2)C1 ZINC001753400489 1185188112 /nfs/dbraw/zinc/18/81/12/1185188112.db2.gz ZSIOWDDJOWONSE-YPMHNXCESA-N 1 2 252.358 1.321 20 30 CDEDLO C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)C(=O)N(C)C ZINC001753421485 1185197098 /nfs/dbraw/zinc/19/70/98/1185197098.db2.gz LNTDAASJHDHPLN-RDBSUJKOSA-N 1 2 293.411 1.105 20 30 CDEDLO C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)C(=O)N(C)C ZINC001753421485 1185197103 /nfs/dbraw/zinc/19/71/03/1185197103.db2.gz LNTDAASJHDHPLN-RDBSUJKOSA-N 1 2 293.411 1.105 20 30 CDEDLO C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)C2CC(C)C2)C1 ZINC001753657199 1185289681 /nfs/dbraw/zinc/28/96/81/1185289681.db2.gz JJVTUXRFQMGADP-YMAMQOFZSA-N 1 2 296.411 1.052 20 30 CDEDLO C=CCOCC[N@H+]1CCO[C@H](CNC(=O)C2CC(C)C2)C1 ZINC001753657199 1185289685 /nfs/dbraw/zinc/28/96/85/1185289685.db2.gz JJVTUXRFQMGADP-YMAMQOFZSA-N 1 2 296.411 1.052 20 30 CDEDLO C#CCO[C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CC(=C)Cl ZINC001754311150 1185570373 /nfs/dbraw/zinc/57/03/73/1185570373.db2.gz NKXGYLOQGDUGMA-NWDGAFQWSA-N 1 2 272.776 1.214 20 30 CDEDLO C#CCO[C@H](C)C(=O)N[C@@H](C)C[N@H+](C)CC(=C)Cl ZINC001754311150 1185570368 /nfs/dbraw/zinc/57/03/68/1185570368.db2.gz NKXGYLOQGDUGMA-NWDGAFQWSA-N 1 2 272.776 1.214 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)C[C@@H]2CC[C@H]3C[C@H]32)C1 ZINC001754577424 1185671978 /nfs/dbraw/zinc/67/19/78/1185671978.db2.gz VBHDDFWRHNEOPJ-OFQRWUPVSA-N 1 2 292.423 1.768 20 30 CDEDLO C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001754969198 1185772413 /nfs/dbraw/zinc/77/24/13/1185772413.db2.gz SQFVOHNPBKDYFW-ZDUSSCGKSA-N 1 2 295.358 1.551 20 30 CDEDLO C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001754969198 1185772420 /nfs/dbraw/zinc/77/24/20/1185772420.db2.gz SQFVOHNPBKDYFW-ZDUSSCGKSA-N 1 2 295.358 1.551 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H](F)C(C)C ZINC001754970589 1185774046 /nfs/dbraw/zinc/77/40/46/1185774046.db2.gz VZDWSAGCAGBMHE-CHWSQXEVSA-N 1 2 272.364 1.374 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H](F)C(C)C ZINC001754970589 1185774051 /nfs/dbraw/zinc/77/40/51/1185774051.db2.gz VZDWSAGCAGBMHE-CHWSQXEVSA-N 1 2 272.364 1.374 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](CCC)OC)CO2 ZINC001755062924 1185803514 /nfs/dbraw/zinc/80/35/14/1185803514.db2.gz HRXIZGHPGAGMAS-KBPBESRZSA-N 1 2 296.411 1.337 20 30 CDEDLO C=CCCCC(=O)N1C[C@H]([NH2+]Cc2csnn2)[C@@H](C)C1 ZINC001755113032 1185819953 /nfs/dbraw/zinc/81/99/53/1185819953.db2.gz DDOPVAHAWAVJRM-AAEUAGOBSA-N 1 2 294.424 1.831 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1csnn1 ZINC001755238977 1185871677 /nfs/dbraw/zinc/87/16/77/1185871677.db2.gz ZGMFOWLVWZGVLO-MNOVXSKESA-N 1 2 282.413 1.877 20 30 CDEDLO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001772049658 1187027175 /nfs/dbraw/zinc/02/71/75/1187027175.db2.gz LSEKFDHUGWGEIN-LBPRGKRZSA-N 1 2 294.399 1.268 20 30 CDEDLO C=CCCCC(=O)N1CC[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001566772411 1168415172 /nfs/dbraw/zinc/41/51/72/1168415172.db2.gz PPHIKFDCQRNVHH-LBPRGKRZSA-N 1 2 278.356 1.425 20 30 CDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cocn1 ZINC001272378413 912982961 /nfs/dbraw/zinc/98/29/61/912982961.db2.gz VAFFSFUXEPDHTL-ZIAGYGMSSA-N 1 2 275.352 1.816 20 30 CDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cocn1 ZINC001272378413 912982969 /nfs/dbraw/zinc/98/29/69/912982969.db2.gz VAFFSFUXEPDHTL-ZIAGYGMSSA-N 1 2 275.352 1.816 20 30 CDEDLO COc1cc[nH+]cc1-n1nc(C#N)c2cc(N)ccc21 ZINC001176124393 913969835 /nfs/dbraw/zinc/96/98/35/913969835.db2.gz LAIREZPVIHLXSF-UHFFFAOYSA-N 1 2 265.276 1.883 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)c3ccccc3)[C@H]2C1 ZINC001083253750 897183905 /nfs/dbraw/zinc/18/39/05/897183905.db2.gz HJUUMGXKTKRDBJ-HYVNUMGLSA-N 1 2 298.386 1.335 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)c3ccccc3)[C@H]2C1 ZINC001083253750 897183914 /nfs/dbraw/zinc/18/39/14/897183914.db2.gz HJUUMGXKTKRDBJ-HYVNUMGLSA-N 1 2 298.386 1.335 20 30 CDEDLO N#Cc1ccc(-c2noc([C@H]3CC[NH2+]CC3(F)F)n2)nc1 ZINC001211582879 897373178 /nfs/dbraw/zinc/37/31/78/897373178.db2.gz ORGAGXAAWCKKQC-SECBINFHSA-N 1 2 291.261 1.715 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2ccccc2nc1C ZINC001038309516 898204502 /nfs/dbraw/zinc/20/45/02/898204502.db2.gz BLCHCYLGHWTBJI-HNNXBMFYSA-N 1 2 293.370 1.981 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2ccccc2nc1C ZINC001038309516 898204510 /nfs/dbraw/zinc/20/45/10/898204510.db2.gz BLCHCYLGHWTBJI-HNNXBMFYSA-N 1 2 293.370 1.981 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1n[nH]cc1C)C1CC1 ZINC001481169168 899037426 /nfs/dbraw/zinc/03/74/26/899037426.db2.gz NHWUULNFLUCCOJ-UHFFFAOYSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1n[nH]cc1C)C1CC1 ZINC001481169168 899037415 /nfs/dbraw/zinc/03/74/15/899037415.db2.gz NHWUULNFLUCCOJ-UHFFFAOYSA-N 1 2 282.775 1.665 20 30 CDEDLO Cc1nc(N[C@@H](CNC(=O)[C@H](C)C#N)C(C)C)cc[nH+]1 ZINC001105137310 899931955 /nfs/dbraw/zinc/93/19/55/899931955.db2.gz CXPJZYLNZQTTJM-PWSUYJOCSA-N 1 2 275.356 1.497 20 30 CDEDLO O=C(NCCCS)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176973616 914410125 /nfs/dbraw/zinc/41/01/25/914410125.db2.gz LSLWQHLYFSBFES-LBPRGKRZSA-N 1 2 279.409 1.734 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(OCC3CC3)cc2)C1 ZINC001031408625 914614980 /nfs/dbraw/zinc/61/49/80/914614980.db2.gz XUPOJRRPAHATSF-UHFFFAOYSA-N 1 2 298.386 1.913 20 30 CDEDLO Cc1ncc(C#N)cc1NC(=O)CN(C)c1cccc[nH+]1 ZINC001177409342 914667600 /nfs/dbraw/zinc/66/76/00/914667600.db2.gz MDMNOTJVPRRIIO-UHFFFAOYSA-N 1 2 281.319 1.732 20 30 CDEDLO CCC#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(=O)[nH]1 ZINC001268951359 903262991 /nfs/dbraw/zinc/26/29/91/903262991.db2.gz NDBJEKOVBAHJPY-GASCZTMLSA-N 1 2 299.374 1.376 20 30 CDEDLO CCC#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(=O)[nH]1 ZINC001268951359 903262996 /nfs/dbraw/zinc/26/29/96/903262996.db2.gz NDBJEKOVBAHJPY-GASCZTMLSA-N 1 2 299.374 1.376 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC001044298242 921482743 /nfs/dbraw/zinc/48/27/43/921482743.db2.gz RMXCJJGNCSUVOT-UHFFFAOYSA-N 1 2 299.378 1.599 20 30 CDEDLO Cc1cc(NCCNC(=O)[C@H](C)C#N)nc(C2CC2)[nH+]1 ZINC001093529469 909909334 /nfs/dbraw/zinc/90/93/34/909909334.db2.gz ZTYPLHBIVQTNRY-SECBINFHSA-N 1 2 273.340 1.350 20 30 CDEDLO C=CCCCNC(=S)N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001247771618 910033171 /nfs/dbraw/zinc/03/31/71/910033171.db2.gz MPBRIORGWIISAO-GFCCVEGCSA-N 1 2 283.441 1.280 20 30 CDEDLO C=CCCCNC(=S)N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001247771618 910033188 /nfs/dbraw/zinc/03/31/88/910033188.db2.gz MPBRIORGWIISAO-GFCCVEGCSA-N 1 2 283.441 1.280 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C1(COC)CCC1 ZINC001483363941 910980742 /nfs/dbraw/zinc/98/07/42/910980742.db2.gz NXOLFWQCDMKTCV-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C1(COC)CCC1 ZINC001483363941 910980760 /nfs/dbraw/zinc/98/07/60/910980760.db2.gz NXOLFWQCDMKTCV-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCSC)[C@@H](O)C1 ZINC001099654991 921656057 /nfs/dbraw/zinc/65/60/57/921656057.db2.gz VIVYCISFONGKKV-MNOVXSKESA-N 1 2 292.832 1.043 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCSC)[C@@H](O)C1 ZINC001099654991 921656063 /nfs/dbraw/zinc/65/60/63/921656063.db2.gz VIVYCISFONGKKV-MNOVXSKESA-N 1 2 292.832 1.043 20 30 CDEDLO C[C@H](Cc1ccc(C#N)cc1)N1CC[NH2+]C[C@@H]1C#N ZINC001172315379 911553534 /nfs/dbraw/zinc/55/35/34/911553534.db2.gz OLJFTHITOWIEKN-DOMZBBRYSA-N 1 2 254.337 1.287 20 30 CDEDLO N#Cc1ncccc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212665276 911730338 /nfs/dbraw/zinc/73/03/38/911730338.db2.gz FZVZIZYXSSZCJI-UHFFFAOYSA-N 1 2 280.331 1.873 20 30 CDEDLO CC(C)(C)OC(=O)C[NH+]1CCC(N2CC(C#N)C2)CC1 ZINC001172891677 912052115 /nfs/dbraw/zinc/05/21/15/912052115.db2.gz NKEHNNXQMYPULB-UHFFFAOYSA-N 1 2 279.384 1.248 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](C[C@H](F)CC)C[C@@H]2O)C1 ZINC001083763444 915019264 /nfs/dbraw/zinc/01/92/64/915019264.db2.gz LARPQQQAFZYKAZ-UPJWGTAASA-N 1 2 284.375 1.252 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](C[C@H](F)CC)C[C@@H]2O)C1 ZINC001083763444 915019281 /nfs/dbraw/zinc/01/92/81/915019281.db2.gz LARPQQQAFZYKAZ-UPJWGTAASA-N 1 2 284.375 1.252 20 30 CDEDLO Cc1c[nH]c(CCNC(=O)[C@H](C#N)Cc2cccs2)[nH+]1 ZINC001177917242 915026667 /nfs/dbraw/zinc/02/66/67/915026667.db2.gz QNNTXMZYKCKAJU-NSHDSACASA-N 1 2 288.376 1.821 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001124495139 936320102 /nfs/dbraw/zinc/32/01/02/936320102.db2.gz MWZSLOQVGWZJPK-WDEREUQCSA-N 1 2 296.371 1.126 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCn2nnc3ccccc32)CC1 ZINC001179992539 916106823 /nfs/dbraw/zinc/10/68/23/916106823.db2.gz BXXIWAWVDFYPSI-UHFFFAOYSA-N 1 2 299.378 1.152 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2cc(F)c(F)c(F)c2)CC1 ZINC001179954664 916110345 /nfs/dbraw/zinc/11/03/45/916110345.db2.gz GEVDSYPNBBNXIA-UHFFFAOYSA-N 1 2 298.308 1.977 20 30 CDEDLO C=CCCn1cc(C(=O)OCc2c[nH+]cn2CC)nn1 ZINC001123473232 936167641 /nfs/dbraw/zinc/16/76/41/936167641.db2.gz QGDPCFJMFNMBMQ-UHFFFAOYSA-N 1 2 275.312 1.428 20 30 CDEDLO C=CCCOCC(=O)NC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001097918945 936424185 /nfs/dbraw/zinc/42/41/85/936424185.db2.gz CXBMJDFCYGHZSA-NSHDSACASA-N 1 2 278.356 1.294 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2CC(C)C2)C1 ZINC001107859558 918908973 /nfs/dbraw/zinc/90/89/73/918908973.db2.gz XRCGMAGJVIPRAW-SSDMNJCBSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2CC(C)C2)C1 ZINC001107859558 918908979 /nfs/dbraw/zinc/90/89/79/918908979.db2.gz XRCGMAGJVIPRAW-SSDMNJCBSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)COC(C)(C)C)C1 ZINC001107879758 918969914 /nfs/dbraw/zinc/96/99/14/918969914.db2.gz AUXOOSWLPDTQCE-HNNXBMFYSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)COC(C)(C)C)C1 ZINC001107879758 918969922 /nfs/dbraw/zinc/96/99/22/918969922.db2.gz AUXOOSWLPDTQCE-HNNXBMFYSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2sccc2F)C1 ZINC001107920054 919048869 /nfs/dbraw/zinc/04/88/69/919048869.db2.gz KYDBLKLADRUTSE-AWEZNQCLSA-N 1 2 298.383 1.894 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2sccc2F)C1 ZINC001107920054 919048885 /nfs/dbraw/zinc/04/88/85/919048885.db2.gz KYDBLKLADRUTSE-AWEZNQCLSA-N 1 2 298.383 1.894 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)/C=C(/C)CC)C1 ZINC001107923608 919049981 /nfs/dbraw/zinc/04/99/81/919049981.db2.gz GOMMTNUYIDGKBB-WVUXNXBLSA-N 1 2 266.385 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)/C=C(/C)CC)C1 ZINC001107923608 919049992 /nfs/dbraw/zinc/04/99/92/919049992.db2.gz GOMMTNUYIDGKBB-WVUXNXBLSA-N 1 2 266.385 1.736 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC2(COC)CC2)C1 ZINC001107938366 919086946 /nfs/dbraw/zinc/08/69/46/919086946.db2.gz OJXDAVMKCMJVGM-HNNXBMFYSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CC2(COC)CC2)C1 ZINC001107938366 919086962 /nfs/dbraw/zinc/08/69/62/919086962.db2.gz OJXDAVMKCMJVGM-HNNXBMFYSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(C(F)F)CC2)C1 ZINC001107944070 919106093 /nfs/dbraw/zinc/10/60/93/919106093.db2.gz LOZRIVZKKMPYEN-ZDUSSCGKSA-N 1 2 288.338 1.425 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(C(F)F)CC2)C1 ZINC001107944070 919106105 /nfs/dbraw/zinc/10/61/05/919106105.db2.gz LOZRIVZKKMPYEN-ZDUSSCGKSA-N 1 2 288.338 1.425 20 30 CDEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(C)on1 ZINC001272773169 919222294 /nfs/dbraw/zinc/22/22/94/919222294.db2.gz RKVPOQCFXBUJOY-INIZCTEOSA-N 1 2 287.363 1.573 20 30 CDEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(C)on1 ZINC001272773169 919222305 /nfs/dbraw/zinc/22/23/05/919222305.db2.gz RKVPOQCFXBUJOY-INIZCTEOSA-N 1 2 287.363 1.573 20 30 CDEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001185071160 919411481 /nfs/dbraw/zinc/41/14/81/919411481.db2.gz QGWMNQTXGRPFLX-VXGBXAGGSA-N 1 2 294.424 1.831 20 30 CDEDLO C=CCCCC(=O)N[C@@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001078754471 920437881 /nfs/dbraw/zinc/43/78/81/920437881.db2.gz XSVUBCMIWPPKIA-LBPRGKRZSA-N 1 2 292.383 1.320 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccccc2-n2nccn2)CC1 ZINC001190343024 921970492 /nfs/dbraw/zinc/97/04/92/921970492.db2.gz BTFJFIJEQVGUBT-UHFFFAOYSA-N 1 2 297.362 1.211 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(CCF)CC2)C1 ZINC001108093746 922025068 /nfs/dbraw/zinc/02/50/68/922025068.db2.gz GXWAZJURCURAIX-AWEZNQCLSA-N 1 2 284.375 1.519 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(CCF)CC2)C1 ZINC001108093746 922025080 /nfs/dbraw/zinc/02/50/80/922025080.db2.gz GXWAZJURCURAIX-AWEZNQCLSA-N 1 2 284.375 1.519 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2ncc[nH]2)C1 ZINC001033545407 922264457 /nfs/dbraw/zinc/26/44/57/922264457.db2.gz ZDTVZHHDQRTLOK-LLVKDONJSA-N 1 2 282.775 1.237 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ncc[nH]2)C1 ZINC001033545407 922264469 /nfs/dbraw/zinc/26/44/69/922264469.db2.gz ZDTVZHHDQRTLOK-LLVKDONJSA-N 1 2 282.775 1.237 20 30 CDEDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(F)c(C#N)c(F)c3)C[C@@H]21 ZINC001140755125 936751140 /nfs/dbraw/zinc/75/11/40/936751140.db2.gz VBVCJBRWLLGQKH-YABSGUDNSA-N 1 2 292.285 1.687 20 30 CDEDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(F)c(C#N)c(F)c3)C[C@@H]21 ZINC001140755125 936751142 /nfs/dbraw/zinc/75/11/42/936751142.db2.gz VBVCJBRWLLGQKH-YABSGUDNSA-N 1 2 292.285 1.687 20 30 CDEDLO C#CCCCCCC(=O)NC[C@]1(C)C[N@H+](CC=C)CCO1 ZINC001108121912 922548766 /nfs/dbraw/zinc/54/87/66/922548766.db2.gz IXWNAJJAAFOTDX-QGZVFWFLSA-N 1 2 292.423 1.963 20 30 CDEDLO C#CCCCCCC(=O)NC[C@]1(C)C[N@@H+](CC=C)CCO1 ZINC001108121912 922548777 /nfs/dbraw/zinc/54/87/77/922548777.db2.gz IXWNAJJAAFOTDX-QGZVFWFLSA-N 1 2 292.423 1.963 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](F)CC)C1 ZINC001108121596 922555924 /nfs/dbraw/zinc/55/59/24/922555924.db2.gz CONOGPDWALWHGC-AAEUAGOBSA-N 1 2 258.337 1.128 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](F)CC)C1 ZINC001108121596 922555930 /nfs/dbraw/zinc/55/59/30/922555930.db2.gz CONOGPDWALWHGC-AAEUAGOBSA-N 1 2 258.337 1.128 20 30 CDEDLO Cc1ncc(CO)c(C[N@@H+]2CC[C@](C)(C#N)C2)c1O ZINC001140870953 936768567 /nfs/dbraw/zinc/76/85/67/936768567.db2.gz KCRSTUUTHYAJMQ-CQSZACIVSA-N 1 2 261.325 1.324 20 30 CDEDLO Cc1ncc(CO)c(C[N@H+]2CC[C@](C)(C#N)C2)c1O ZINC001140870953 936768569 /nfs/dbraw/zinc/76/85/69/936768569.db2.gz KCRSTUUTHYAJMQ-CQSZACIVSA-N 1 2 261.325 1.324 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccoc2)[C@H](O)C1 ZINC001090214874 922634862 /nfs/dbraw/zinc/63/48/62/922634862.db2.gz 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C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3C=CCCC3)[C@H]2C1 ZINC001083117868 925093994 /nfs/dbraw/zinc/09/39/94/925093994.db2.gz JQJRNPIBFFGIGL-OWCLPIDISA-N 1 2 288.391 1.278 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cocc3C)[C@H]2C1 ZINC001083166575 925108170 /nfs/dbraw/zinc/10/81/70/925108170.db2.gz ZUSPCDDUZPGBLQ-LSDHHAIUSA-N 1 2 288.347 1.137 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cocc3C)[C@H]2C1 ZINC001083166575 925108175 /nfs/dbraw/zinc/10/81/75/925108175.db2.gz ZUSPCDDUZPGBLQ-LSDHHAIUSA-N 1 2 288.347 1.137 20 30 CDEDLO CCc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)ccc1C#N ZINC001197291474 925117408 /nfs/dbraw/zinc/11/74/08/925117408.db2.gz BQOSNTRWXQVNNL-OAHLLOKOSA-N 1 2 287.363 1.181 20 30 CDEDLO CCc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC001197291474 925117411 /nfs/dbraw/zinc/11/74/11/925117411.db2.gz BQOSNTRWXQVNNL-OAHLLOKOSA-N 1 2 287.363 1.181 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)c(C)s2)[C@@H](O)C1 ZINC001084033796 925129945 /nfs/dbraw/zinc/12/99/45/925129945.db2.gz 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926306816 /nfs/dbraw/zinc/30/68/16/926306816.db2.gz XWIDPUVTYISLBW-MRXNPFEDSA-N 1 2 297.402 1.740 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c(cn1)CCCC2 ZINC001085709069 926306822 /nfs/dbraw/zinc/30/68/22/926306822.db2.gz XWIDPUVTYISLBW-MRXNPFEDSA-N 1 2 297.402 1.740 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(COC)o1 ZINC001085711417 926320033 /nfs/dbraw/zinc/32/00/33/926320033.db2.gz HVJBVTXQTHJGGZ-CYBMUJFWSA-N 1 2 290.363 1.596 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(COC)o1 ZINC001085711417 926320043 /nfs/dbraw/zinc/32/00/43/926320043.db2.gz HVJBVTXQTHJGGZ-CYBMUJFWSA-N 1 2 290.363 1.596 20 30 CDEDLO Cc1nc(N2CC[C@@H](N(C)C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001102699887 937080019 /nfs/dbraw/zinc/08/00/19/937080019.db2.gz GABXRJDSNLVZBN-CQSZACIVSA-N 1 2 284.363 1.236 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001085848242 926445959 /nfs/dbraw/zinc/44/59/59/926445959.db2.gz UPVAFLWPDDSMCB-GFCCVEGCSA-N 1 2 298.346 1.048 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001085848242 926445962 /nfs/dbraw/zinc/44/59/62/926445962.db2.gz UPVAFLWPDDSMCB-GFCCVEGCSA-N 1 2 298.346 1.048 20 30 CDEDLO C#CCOCCC(=O)NC[C@H](CC)Nc1cc[nH+]c(C)n1 ZINC001103192758 937127609 /nfs/dbraw/zinc/12/76/09/937127609.db2.gz FECDDWSXGIYPBC-ZDUSSCGKSA-N 1 2 290.367 1.132 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2ccco2)C1 ZINC001108295780 927349333 /nfs/dbraw/zinc/34/93/33/927349333.db2.gz XJTCPELDUIVDHQ-MRXNPFEDSA-N 1 2 290.363 1.053 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2ccco2)C1 ZINC001108295780 927349350 /nfs/dbraw/zinc/34/93/50/927349350.db2.gz XJTCPELDUIVDHQ-MRXNPFEDSA-N 1 2 290.363 1.053 20 30 CDEDLO Cc1nc(NC[C@H](C)NC(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001108321412 927378624 /nfs/dbraw/zinc/37/86/24/927378624.db2.gz STKPPTMXSZUVMH-VIFPVBQESA-N 1 2 284.323 1.215 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC(N)=O)C2 ZINC001111507571 927494524 /nfs/dbraw/zinc/49/45/24/927494524.db2.gz IWFWJQHFDPQVAK-UTUOFQBUSA-N 1 2 299.802 1.116 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC(N)=O)C2 ZINC001111507571 927494536 /nfs/dbraw/zinc/49/45/36/927494536.db2.gz IWFWJQHFDPQVAK-UTUOFQBUSA-N 1 2 299.802 1.116 20 30 CDEDLO O=C(C#CC1CC1)N[C@]12CCC[C@H]1C[N@H+](Cc1ccon1)C2 ZINC001111740963 937225704 /nfs/dbraw/zinc/22/57/04/937225704.db2.gz WBGTZZZSSAGMMS-YOEHRIQHSA-N 1 2 299.374 1.559 20 30 CDEDLO O=C(C#CC1CC1)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccon1)C2 ZINC001111740963 937225708 /nfs/dbraw/zinc/22/57/08/937225708.db2.gz WBGTZZZSSAGMMS-YOEHRIQHSA-N 1 2 299.374 1.559 20 30 CDEDLO C=CCn1ccc2c1ncnc2NC[C@@H]1COCC[N@H+]1C ZINC001169652316 928286425 /nfs/dbraw/zinc/28/64/25/928286425.db2.gz YTDCLXVKOVCVCR-GFCCVEGCSA-N 1 2 287.367 1.360 20 30 CDEDLO C=CCn1ccc2c1ncnc2NC[C@@H]1COCC[N@@H+]1C ZINC001169652316 928286435 /nfs/dbraw/zinc/28/64/35/928286435.db2.gz YTDCLXVKOVCVCR-GFCCVEGCSA-N 1 2 287.367 1.360 20 30 CDEDLO COC(=O)n1ncc(C#N)c1Nc1ccn2cc[nH+]c2c1 ZINC001169970115 928707005 /nfs/dbraw/zinc/70/70/05/928707005.db2.gz AMWIJWBYCBVTJM-UHFFFAOYSA-N 1 2 282.263 1.761 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)OC)C2 ZINC001109034311 928778370 /nfs/dbraw/zinc/77/83/70/928778370.db2.gz QQNNCPMWIYHVOZ-VOAKCMCISA-N 1 2 286.803 1.885 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)OC)C2 ZINC001109034311 928778373 /nfs/dbraw/zinc/77/83/73/928778373.db2.gz QQNNCPMWIYHVOZ-VOAKCMCISA-N 1 2 286.803 1.885 20 30 CDEDLO C=CCOCC(=O)N1CC[NH+](CCOCCCC)CC1 ZINC001112703944 929339895 /nfs/dbraw/zinc/33/98/95/929339895.db2.gz JUUVGQUCFUDUOY-UHFFFAOYSA-N 1 2 284.400 1.150 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCCC2CCOCC2)CC1 ZINC001112936978 929583224 /nfs/dbraw/zinc/58/32/24/929583224.db2.gz KUHPELGDJNXPQW-UHFFFAOYSA-N 1 2 280.412 1.914 20 30 CDEDLO Cn1ccc(C=NNc2cc[nH+]c3ccccc23)n1 ZINC000814841102 929857883 /nfs/dbraw/zinc/85/78/83/929857883.db2.gz ARYWOPJGVJYYPG-UHFFFAOYSA-N 1 2 251.293 1.836 20 30 CDEDLO N#CCNC1(CNC(=O)CCn2cc[nH+]c2)CCCCC1 ZINC001115655747 937409277 /nfs/dbraw/zinc/40/92/77/937409277.db2.gz IAFIRZFIMDBJOV-UHFFFAOYSA-N 1 2 289.383 1.205 20 30 CDEDLO Cc1nc(N[C@H](C)CN(C)C(=O)C#CC2CC2)cc[nH+]1 ZINC001115713995 937415420 /nfs/dbraw/zinc/41/54/20/937415420.db2.gz XMKRXEMXPYADHE-LLVKDONJSA-N 1 2 272.352 1.457 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc3cccnc3[nH]c2=O)CC1 ZINC001153745119 937465330 /nfs/dbraw/zinc/46/53/30/937465330.db2.gz MKQMHWVUFLYBTR-UHFFFAOYSA-N 1 2 298.346 1.279 20 30 CDEDLO C=CCC(C)(C)C(=O)NCc1c[nH+]cn1CCOC ZINC001144075268 931648040 /nfs/dbraw/zinc/64/80/40/931648040.db2.gz KUFVXHVRXQIEDG-UHFFFAOYSA-N 1 2 265.357 1.748 20 30 CDEDLO Cn1cc(CN2CCC23C[NH+](Cc2ccco2)C3)cc1C#N ZINC001275235798 931708946 /nfs/dbraw/zinc/70/89/46/931708946.db2.gz HDBVLEGBYIXRHJ-UHFFFAOYSA-N 1 2 296.374 1.950 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccc(OC(C)=O)c(OC(C)=O)c1 ZINC001144287953 931743492 /nfs/dbraw/zinc/74/34/92/931743492.db2.gz XWIXICNPIQASPF-UHFFFAOYSA-N 1 2 299.326 1.606 20 30 CDEDLO C=CC[NH+]1CCN(Cc2c(F)cc(O)cc2F)CC1 ZINC001144553731 931896267 /nfs/dbraw/zinc/89/62/67/931896267.db2.gz ONBZCPCVZXMNPL-UHFFFAOYSA-N 1 2 268.307 1.974 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CCS(=O)(=O)Cc1ccccc1 ZINC000846979959 932175327 /nfs/dbraw/zinc/17/53/27/932175327.db2.gz DWDLSODIFUQJRU-CQSZACIVSA-N 1 2 280.393 1.883 20 30 CDEDLO CS(=O)(=O)CCNc1[nH+]ccc2ccc(C#N)cc21 ZINC001154926178 937605606 /nfs/dbraw/zinc/60/56/06/937605606.db2.gz XIZMSGWAABPQCV-UHFFFAOYSA-N 1 2 275.333 1.563 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ncc(C)o2)cn1 ZINC001148383065 932703657 /nfs/dbraw/zinc/70/36/57/932703657.db2.gz QCYDOQJCPPULGZ-LBPRGKRZSA-N 1 2 298.346 1.440 20 30 CDEDLO C=CCO[C@@H](C)C(=O)NCCCN(C)c1cc[nH+]c(C)n1 ZINC001095580926 932720710 /nfs/dbraw/zinc/72/07/10/932720710.db2.gz XJQIWSUXJCZXKE-LBPRGKRZSA-N 1 2 292.383 1.319 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cc(=O)oc2cc(O)ccc12 ZINC000777590229 932973284 /nfs/dbraw/zinc/97/32/84/932973284.db2.gz IDSSONLLCULPSL-UHFFFAOYSA-N 1 2 281.311 1.957 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cc(=O)oc2cc(O)ccc12 ZINC000777590229 932973287 /nfs/dbraw/zinc/97/32/87/932973287.db2.gz IDSSONLLCULPSL-UHFFFAOYSA-N 1 2 281.311 1.957 20 30 CDEDLO C[C@@H](C#N)C(=O)NCCC[NH2+]Cc1noc(C(C)(C)C)n1 ZINC001155827933 937678260 /nfs/dbraw/zinc/67/82/60/937678260.db2.gz IFBITWYQIURIQB-JTQLQIEISA-N 1 2 293.371 1.123 20 30 CDEDLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cccc(C#N)c1 ZINC000687268895 934268633 /nfs/dbraw/zinc/26/86/33/934268633.db2.gz SRERABKSJGQQJE-BETUJISGSA-N 1 2 291.376 1.025 20 30 CDEDLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cccc(C#N)c1 ZINC000687268895 934268644 /nfs/dbraw/zinc/26/86/44/934268644.db2.gz SRERABKSJGQQJE-BETUJISGSA-N 1 2 291.376 1.025 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001114724850 934942101 /nfs/dbraw/zinc/94/21/01/934942101.db2.gz UMSCYNFBZNFNKH-ZZVYKPCYSA-N 1 2 290.367 1.218 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001114724850 934942102 /nfs/dbraw/zinc/94/21/02/934942102.db2.gz UMSCYNFBZNFNKH-ZZVYKPCYSA-N 1 2 290.367 1.218 20 30 CDEDLO C[C@@]1(O)COCC[N@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238189853 945125856 /nfs/dbraw/zinc/12/58/56/945125856.db2.gz XWACDKFENABSRJ-AWEZNQCLSA-N 1 2 280.755 1.795 20 30 CDEDLO C[C@@]1(O)COCC[N@@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238189853 945125862 /nfs/dbraw/zinc/12/58/62/945125862.db2.gz XWACDKFENABSRJ-AWEZNQCLSA-N 1 2 280.755 1.795 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2CCO[C@H](CC)C2)C1 ZINC001044155340 935853036 /nfs/dbraw/zinc/85/30/36/935853036.db2.gz FMKAPUHFYIKCDZ-UKRRQHHQSA-N 1 2 280.412 1.910 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)c1csc(C#N)c1 ZINC001123932771 936250538 /nfs/dbraw/zinc/25/05/38/936250538.db2.gz BYUHSCLATKNEJE-UHFFFAOYSA-N 1 2 260.322 1.326 20 30 CDEDLO C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)Nc1ccc(C#N)nc1 ZINC001120713226 937828362 /nfs/dbraw/zinc/82/83/62/937828362.db2.gz ZSBGOLADLABIIA-LLVKDONJSA-N 1 2 298.350 1.178 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1ncc(F)c2ccccc21 ZINC001156320009 938351067 /nfs/dbraw/zinc/35/10/67/938351067.db2.gz MAYGOOOBWYZXOA-JTQLQIEISA-N 1 2 256.284 1.676 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1ccc2c(Cl)ccnc2n1 ZINC001156320003 938351137 /nfs/dbraw/zinc/35/11/37/938351137.db2.gz LTOQRUISQJFGMC-VIFPVBQESA-N 1 2 273.727 1.585 20 30 CDEDLO CCC(CO)(CO)Nc1[nH+]ccc2ccc(C#N)cc21 ZINC001157200850 938465899 /nfs/dbraw/zinc/46/58/99/938465899.db2.gz VZQSCHGVOIZPNP-UHFFFAOYSA-N 1 2 271.320 1.652 20 30 CDEDLO CC(=O)N1CCC[C@H](N(C)c2[nH+]ccc3[nH]cc(C#N)c32)C1 ZINC001157409776 938488677 /nfs/dbraw/zinc/48/86/77/938488677.db2.gz AXZLNMYXBIXBCO-ZDUSSCGKSA-N 1 2 297.362 1.882 20 30 CDEDLO CCN(c1nc(SC)nc(Cl)c1C#N)C1C[NH+](C)C1 ZINC001157453904 938494520 /nfs/dbraw/zinc/49/45/20/938494520.db2.gz NGTAKOARIVEBIE-UHFFFAOYSA-N 1 2 297.815 1.864 20 30 CDEDLO N#Cc1cc2c(nc1N[C@@H]1CCC[N@@H+](C3COC3)C1)CCC2 ZINC001157585746 938516403 /nfs/dbraw/zinc/51/64/03/938516403.db2.gz MNEATJYFKAQWAY-CQSZACIVSA-N 1 2 298.390 1.717 20 30 CDEDLO N#Cc1cc2c(nc1N[C@@H]1CCC[N@H+](C3COC3)C1)CCC2 ZINC001157585746 938516405 /nfs/dbraw/zinc/51/64/05/938516405.db2.gz MNEATJYFKAQWAY-CQSZACIVSA-N 1 2 298.390 1.717 20 30 CDEDLO O=C(C#CC1CC1)NCCC[NH2+]CC(F)(F)C(F)F ZINC001157682348 938531571 /nfs/dbraw/zinc/53/15/71/938531571.db2.gz CIMZZRJXHVOVIC-UHFFFAOYSA-N 1 2 280.265 1.396 20 30 CDEDLO CN(C)C(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccccc1C#N ZINC001278239216 945198230 /nfs/dbraw/zinc/19/82/30/945198230.db2.gz ITUUWQCOXNBVMZ-GOEBONIOSA-N 1 2 269.348 1.611 20 30 CDEDLO CN(C)C(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1ccccc1C#N ZINC001278239216 945198233 /nfs/dbraw/zinc/19/82/33/945198233.db2.gz ITUUWQCOXNBVMZ-GOEBONIOSA-N 1 2 269.348 1.611 20 30 CDEDLO COC(=O)c1c(C)cc(C)[nH+]c1N[C@@H]1C(=O)N(O)C[C@@H]1C ZINC001160174314 938773123 /nfs/dbraw/zinc/77/31/23/938773123.db2.gz AXKPNHGFSWTVSV-KWQFWETISA-N 1 2 293.323 1.133 20 30 CDEDLO N#Cc1ccnc(N[C@@H]2CCC[C@H]2[NH+]2CCOCC2)c1F ZINC001160721768 938818964 /nfs/dbraw/zinc/81/89/64/938818964.db2.gz CFASQLXCLQLSFA-CHWSQXEVSA-N 1 2 290.342 1.758 20 30 CDEDLO C#CCCN1CCC[C@H](Nc2ccc(Cl)c(N)[nH+]2)C1=O ZINC001160900927 938841200 /nfs/dbraw/zinc/84/12/00/938841200.db2.gz NRUBTZRHKYNLGE-NSHDSACASA-N 1 2 292.770 1.743 20 30 CDEDLO N#CCc1cncc(NC2CN(c3cccc[nH+]3)C2)n1 ZINC001161322855 938888670 /nfs/dbraw/zinc/88/86/70/938888670.db2.gz SBUXLRKYIGYBRD-UHFFFAOYSA-N 1 2 266.308 1.238 20 30 CDEDLO N#Cc1ncc(NCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC001161684833 938920196 /nfs/dbraw/zinc/92/01/96/938920196.db2.gz SBVXBRZBCPDKHR-UHFFFAOYSA-N 1 2 272.268 1.560 20 30 CDEDLO COc1cc(C)c[nH+]c1N[C@@H](CC(C)C)C(=O)NO ZINC001163420401 939267045 /nfs/dbraw/zinc/26/70/45/939267045.db2.gz PNEKGHWYRYZKLB-JTQLQIEISA-N 1 2 267.329 1.731 20 30 CDEDLO CCc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3=O)ccc1C#N ZINC001238771452 945243576 /nfs/dbraw/zinc/24/35/76/945243576.db2.gz FKVPBWHUKQPGPP-IYBDPMFKSA-N 1 2 284.359 1.768 20 30 CDEDLO CCc1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)C3=O)ccc1C#N ZINC001238771452 945243582 /nfs/dbraw/zinc/24/35/82/945243582.db2.gz FKVPBWHUKQPGPP-IYBDPMFKSA-N 1 2 284.359 1.768 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2nc3ccccc3cc2C#N)C[NH2+]1 ZINC001164302085 939448938 /nfs/dbraw/zinc/44/89/38/939448938.db2.gz MOTGAMWOJOKTFT-JSGCOSHPSA-N 1 2 296.330 1.422 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1c1cc2nccc(Cl)c2cn1 ZINC001164642099 939501213 /nfs/dbraw/zinc/50/12/13/939501213.db2.gz SLWKFKRCJZCYCE-SECBINFHSA-N 1 2 273.727 1.585 20 30 CDEDLO N#Cc1cccc(C[N@H+]2Cc3ccnn3CC[C@@H]2CO)c1 ZINC001203764130 939703043 /nfs/dbraw/zinc/70/30/43/939703043.db2.gz YCORYBPYYGBETD-MRXNPFEDSA-N 1 2 282.347 1.522 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2Cc3ccnn3CC[C@@H]2CO)c1 ZINC001203764130 939703044 /nfs/dbraw/zinc/70/30/44/939703044.db2.gz YCORYBPYYGBETD-MRXNPFEDSA-N 1 2 282.347 1.522 20 30 CDEDLO CC1(C)C[N@@H+](C2CN(Cc3ccc(C#N)cc3)C2)CCO1 ZINC001203905422 939713160 /nfs/dbraw/zinc/71/31/60/939713160.db2.gz LTUIEMLXPDGPCF-UHFFFAOYSA-N 1 2 285.391 1.853 20 30 CDEDLO CC1(C)C[N@H+](C2CN(Cc3ccc(C#N)cc3)C2)CCO1 ZINC001203905422 939713162 /nfs/dbraw/zinc/71/31/62/939713162.db2.gz LTUIEMLXPDGPCF-UHFFFAOYSA-N 1 2 285.391 1.853 20 30 CDEDLO CC1(C)CN(C2C[NH+](Cc3ccc(C#N)cc3)C2)CCO1 ZINC001203905422 939713164 /nfs/dbraw/zinc/71/31/64/939713164.db2.gz LTUIEMLXPDGPCF-UHFFFAOYSA-N 1 2 285.391 1.853 20 30 CDEDLO Cc1cc(-c2noc([C@H]([NH3+])[C@@H](C)O)n2)ccc1C#N ZINC001204828641 939795550 /nfs/dbraw/zinc/79/55/50/939795550.db2.gz QTRZERDWTBIKRD-LDYMZIIASA-N 1 2 258.281 1.297 20 30 CDEDLO N#Cc1cc(NC(=O)NCc2ccc[nH+]c2N)ccn1 ZINC001208085216 940287318 /nfs/dbraw/zinc/28/73/18/940287318.db2.gz CJUNWBHHFBNAFA-UHFFFAOYSA-N 1 2 268.280 1.252 20 30 CDEDLO C#CCCC[N@@H+]1CCc2c(nnn2CC2CC2)[C@H]1COC ZINC001209262994 940453816 /nfs/dbraw/zinc/45/38/16/940453816.db2.gz DUDGPNSXQCSPIK-OAHLLOKOSA-N 1 2 288.395 1.647 20 30 CDEDLO C#CCCC[N@H+]1CCc2c(nnn2CC2CC2)[C@H]1COC ZINC001209262994 940453817 /nfs/dbraw/zinc/45/38/17/940453817.db2.gz DUDGPNSXQCSPIK-OAHLLOKOSA-N 1 2 288.395 1.647 20 30 CDEDLO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1nc(OC)cc(=O)[nH]1 ZINC001218455430 941219615 /nfs/dbraw/zinc/21/96/15/941219615.db2.gz LTSSUNTXVALKMT-NXEZZACHSA-N 1 2 265.313 1.266 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@](C)(F)CCCC)[C@@H](O)C1 ZINC001219908972 941394553 /nfs/dbraw/zinc/39/45/53/941394553.db2.gz XZZCKOJZSPDUQC-IPYPFGDCSA-N 1 2 284.375 1.089 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@](C)(F)CCCC)[C@@H](O)C1 ZINC001219908972 941394556 /nfs/dbraw/zinc/39/45/56/941394556.db2.gz XZZCKOJZSPDUQC-IPYPFGDCSA-N 1 2 284.375 1.089 20 30 CDEDLO C#CCC[NH+]1CCC(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001223266254 941666565 /nfs/dbraw/zinc/66/65/65/941666565.db2.gz QOIKUVBTHVZRPC-NSHDSACASA-N 1 2 294.292 1.738 20 30 CDEDLO C#CCC[NH+]1CCC(CNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001223266254 941666566 /nfs/dbraw/zinc/66/65/66/941666566.db2.gz QOIKUVBTHVZRPC-NSHDSACASA-N 1 2 294.292 1.738 20 30 CDEDLO COc1cc(F)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001225345458 941846985 /nfs/dbraw/zinc/84/69/85/941846985.db2.gz ZHNABDLTAFZEMJ-RBRDRRMGSA-N 1 2 279.311 1.826 20 30 CDEDLO COc1cc(F)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001225345458 941846988 /nfs/dbraw/zinc/84/69/88/941846988.db2.gz ZHNABDLTAFZEMJ-RBRDRRMGSA-N 1 2 279.311 1.826 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nnnc4ccccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226399175 941997501 /nfs/dbraw/zinc/99/75/01/941997501.db2.gz RNUMEXZUZDBBCL-UBYSCORNSA-N 1 2 284.319 1.016 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nnnc4ccccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226399175 941997505 /nfs/dbraw/zinc/99/75/05/941997505.db2.gz RNUMEXZUZDBBCL-UBYSCORNSA-N 1 2 284.319 1.016 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4ccc(=O)cc-4[nH]3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226909932 942093652 /nfs/dbraw/zinc/09/36/52/942093652.db2.gz KJUHNKVAKOJNLV-BSTOKRDTSA-N 1 2 298.342 1.932 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4ccc(=O)cc-4[nH]3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226909932 942093658 /nfs/dbraw/zinc/09/36/58/942093658.db2.gz KJUHNKVAKOJNLV-BSTOKRDTSA-N 1 2 298.342 1.932 20 30 CDEDLO C=CCNC(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001277173934 942113885 /nfs/dbraw/zinc/11/38/85/942113885.db2.gz NNJALPGLYINSDT-UHFFFAOYSA-N 1 2 260.341 1.028 20 30 CDEDLO Cc1[nH]ncc1C[NH2+]C12CC(C(=O)N3CC(CC#N)C3)(C1)C2 ZINC001277230911 942199979 /nfs/dbraw/zinc/19/99/79/942199979.db2.gz GCXDXLVNLHUTSZ-UHFFFAOYSA-N 1 2 299.378 1.103 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc4[nH]ccc4cc3O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228037296 942260673 /nfs/dbraw/zinc/26/06/73/942260673.db2.gz CHGRHXYKVGLSOR-SHFISYCGSA-N 1 2 286.331 1.865 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc4[nH]ccc4cc3O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228037296 942260684 /nfs/dbraw/zinc/26/06/84/942260684.db2.gz CHGRHXYKVGLSOR-SHFISYCGSA-N 1 2 286.331 1.865 20 30 CDEDLO CCCc1cc(C)nc(OC[C@H]2C[N@H+](C)CCO2)c1C#N ZINC001228600173 942339060 /nfs/dbraw/zinc/33/90/60/942339060.db2.gz YKPXYNNHZBMLSQ-CQSZACIVSA-N 1 2 289.379 1.924 20 30 CDEDLO CCCc1cc(C)nc(OC[C@H]2C[N@@H+](C)CCO2)c1C#N ZINC001228600173 942339064 /nfs/dbraw/zinc/33/90/64/942339064.db2.gz YKPXYNNHZBMLSQ-CQSZACIVSA-N 1 2 289.379 1.924 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCCCC1 ZINC001230646393 942664517 /nfs/dbraw/zinc/66/45/17/942664517.db2.gz NDUKYWKCVQSJDJ-INIZCTEOSA-N 1 2 292.423 1.749 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1CCCCC1 ZINC001230646393 942664520 /nfs/dbraw/zinc/66/45/20/942664520.db2.gz NDUKYWKCVQSJDJ-INIZCTEOSA-N 1 2 292.423 1.749 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)o1 ZINC001230658496 942668311 /nfs/dbraw/zinc/66/83/11/942668311.db2.gz AHDOXSVWIPXDHA-CQSZACIVSA-N 1 2 290.363 1.384 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)o1 ZINC001230658496 942668314 /nfs/dbraw/zinc/66/83/14/942668314.db2.gz AHDOXSVWIPXDHA-CQSZACIVSA-N 1 2 290.363 1.384 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)CSC(C)C ZINC001230819190 942706947 /nfs/dbraw/zinc/70/69/47/942706947.db2.gz OHMCNNZJNLNRHN-LBPRGKRZSA-N 1 2 254.399 1.294 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)CSC(C)C ZINC001230819190 942706950 /nfs/dbraw/zinc/70/69/50/942706950.db2.gz OHMCNNZJNLNRHN-LBPRGKRZSA-N 1 2 254.399 1.294 20 30 CDEDLO CCC(CC)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001230834900 942708464 /nfs/dbraw/zinc/70/84/64/942708464.db2.gz PDAWIAVLVXRXGV-HNNXBMFYSA-N 1 2 280.412 1.605 20 30 CDEDLO CCC(CC)C(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001230834900 942708467 /nfs/dbraw/zinc/70/84/67/942708467.db2.gz PDAWIAVLVXRXGV-HNNXBMFYSA-N 1 2 280.412 1.605 20 30 CDEDLO Cc1nc(C)c(C[N@H+]2CC[C@@H]2CN(C)C(=O)[C@H](C)C#N)o1 ZINC001231293649 942847506 /nfs/dbraw/zinc/84/75/06/942847506.db2.gz PFXZIKVNUDBHTL-ZWNOBZJWSA-N 1 2 290.367 1.484 20 30 CDEDLO Cc1nc(C)c(C[N@@H+]2CC[C@@H]2CN(C)C(=O)[C@H](C)C#N)o1 ZINC001231293649 942847513 /nfs/dbraw/zinc/84/75/13/942847513.db2.gz PFXZIKVNUDBHTL-ZWNOBZJWSA-N 1 2 290.367 1.484 20 30 CDEDLO C=CCOC(=O)c1ccc(OC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001231302416 942849114 /nfs/dbraw/zinc/84/91/14/942849114.db2.gz ICHGULQLXYPESQ-HNNXBMFYSA-N 1 2 291.347 1.739 20 30 CDEDLO C=CCOC(=O)c1ccc(OC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001231302416 942849121 /nfs/dbraw/zinc/84/91/21/942849121.db2.gz ICHGULQLXYPESQ-HNNXBMFYSA-N 1 2 291.347 1.739 20 30 CDEDLO Cc1[nH]c(CN2CCN(c3ccccc3C#N)CC2)c[nH+]1 ZINC001232458575 943276846 /nfs/dbraw/zinc/27/68/46/943276846.db2.gz LRCGSOSKTWLMBC-UHFFFAOYSA-N 1 2 281.363 1.912 20 30 CDEDLO Cc1[nH]cc(CN2CCN(c3ccccc3C#N)CC2)[nH+]1 ZINC001232458575 943276853 /nfs/dbraw/zinc/27/68/53/943276853.db2.gz LRCGSOSKTWLMBC-UHFFFAOYSA-N 1 2 281.363 1.912 20 30 CDEDLO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232677206 943358437 /nfs/dbraw/zinc/35/84/37/943358437.db2.gz CGOGVIORGGHEGA-CQSZACIVSA-N 1 2 260.337 1.999 20 30 CDEDLO CC(C)(O)[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232677206 943358443 /nfs/dbraw/zinc/35/84/43/943358443.db2.gz CGOGVIORGGHEGA-CQSZACIVSA-N 1 2 260.337 1.999 20 30 CDEDLO CCOC(=O)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232678476 943360748 /nfs/dbraw/zinc/36/07/48/943360748.db2.gz AQZMHCWIBCNGEI-GFCCVEGCSA-N 1 2 274.320 1.649 20 30 CDEDLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232678476 943360752 /nfs/dbraw/zinc/36/07/52/943360752.db2.gz AQZMHCWIBCNGEI-GFCCVEGCSA-N 1 2 274.320 1.649 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(C)c(O)c2)CC1 ZINC001233236079 943515665 /nfs/dbraw/zinc/51/56/65/943515665.db2.gz YQSPIEGYTRPTLQ-UHFFFAOYSA-N 1 2 288.347 1.979 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnc3cccc(Cl)n23)CC1 ZINC001233359236 943553210 /nfs/dbraw/zinc/55/32/10/943553210.db2.gz ODBVUXFJYDJUNH-UHFFFAOYSA-N 1 2 288.782 1.739 20 30 CDEDLO CCOC(=O)C1(C#N)CCN(Cc2cccc(N)[nH+]2)CC1 ZINC001233372347 943563331 /nfs/dbraw/zinc/56/33/31/943563331.db2.gz JURGNFNLPJXHNO-UHFFFAOYSA-N 1 2 288.351 1.333 20 30 CDEDLO CC[N@@H+]1CCN(Cc2ccc(C#N)cc2O)C[C@H]1C ZINC001233387917 943573732 /nfs/dbraw/zinc/57/37/32/943573732.db2.gz DSFOFMXGVNVICR-GFCCVEGCSA-N 1 2 259.353 1.790 20 30 CDEDLO CC[N@H+]1CCN(Cc2ccc(C#N)cc2O)C[C@H]1C ZINC001233387917 943573734 /nfs/dbraw/zinc/57/37/34/943573734.db2.gz DSFOFMXGVNVICR-GFCCVEGCSA-N 1 2 259.353 1.790 20 30 CDEDLO CCN1CC[N@H+](Cc2ccc(C#N)cc2O)C[C@H]1C ZINC001233387917 943573740 /nfs/dbraw/zinc/57/37/40/943573740.db2.gz DSFOFMXGVNVICR-GFCCVEGCSA-N 1 2 259.353 1.790 20 30 CDEDLO CCN1CC[N@@H+](Cc2ccc(C#N)cc2O)C[C@H]1C ZINC001233387917 943573742 /nfs/dbraw/zinc/57/37/42/943573742.db2.gz DSFOFMXGVNVICR-GFCCVEGCSA-N 1 2 259.353 1.790 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C\C ZINC001233571433 943619498 /nfs/dbraw/zinc/61/94/98/943619498.db2.gz VECVHTWDNQUXDB-LPEQCFEDSA-N 1 2 293.411 1.176 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C\C ZINC001233571433 943619500 /nfs/dbraw/zinc/61/95/00/943619500.db2.gz VECVHTWDNQUXDB-LPEQCFEDSA-N 1 2 293.411 1.176 20 30 CDEDLO C#Cc1ccc(N2CCC[N@@H+](CC(=O)OCC)CC2)nc1 ZINC001262684174 943668947 /nfs/dbraw/zinc/66/89/47/943668947.db2.gz KVCQQVDZGKLREZ-UHFFFAOYSA-N 1 2 287.363 1.138 20 30 CDEDLO C#Cc1ccc(N2CCC[N@H+](CC(=O)OCC)CC2)nc1 ZINC001262684174 943668950 /nfs/dbraw/zinc/66/89/50/943668950.db2.gz KVCQQVDZGKLREZ-UHFFFAOYSA-N 1 2 287.363 1.138 20 30 CDEDLO COc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cnc1Cl ZINC001234121147 943746338 /nfs/dbraw/zinc/74/63/38/943746338.db2.gz YEIFRXOIJYCERB-PINQPDRWSA-N 1 2 296.754 1.735 20 30 CDEDLO COc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cnc1Cl ZINC001234121147 943746343 /nfs/dbraw/zinc/74/63/43/943746343.db2.gz YEIFRXOIJYCERB-PINQPDRWSA-N 1 2 296.754 1.735 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(CC#C)CCC1 ZINC001235210709 944093731 /nfs/dbraw/zinc/09/37/31/944093731.db2.gz VGYVSEJKMJVHAV-CQSZACIVSA-N 1 2 258.365 1.346 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(CC#C)CCC1 ZINC001235210709 944093735 /nfs/dbraw/zinc/09/37/35/944093735.db2.gz VGYVSEJKMJVHAV-CQSZACIVSA-N 1 2 258.365 1.346 20 30 CDEDLO COC(=O)c1cc(-c2ccc(N)[nH+]c2)ccc1C#N ZINC001236314816 944465781 /nfs/dbraw/zinc/46/57/81/944465781.db2.gz ATMQLGNNCIKIPR-UHFFFAOYSA-N 1 2 253.261 1.989 20 30 CDEDLO Cc1ncc(C[N@H+](C)Cc2ccnc(C#N)c2)cn1 ZINC001237468502 944796988 /nfs/dbraw/zinc/79/69/88/944796988.db2.gz HVFVMDAEOWZFSJ-UHFFFAOYSA-N 1 2 253.309 1.684 20 30 CDEDLO Cc1ncc(C[N@@H+](C)Cc2ccnc(C#N)c2)cn1 ZINC001237468502 944796998 /nfs/dbraw/zinc/79/69/98/944796998.db2.gz HVFVMDAEOWZFSJ-UHFFFAOYSA-N 1 2 253.309 1.684 20 30 CDEDLO COC[C@@H]1CC[N@@H+]1Cc1cn2cc(C#N)ccc2n1 ZINC001237612438 944886877 /nfs/dbraw/zinc/88/68/77/944886877.db2.gz YJGBUTVVLOBJMG-ZDUSSCGKSA-N 1 2 256.309 1.427 20 30 CDEDLO COC[C@@H]1CC[N@H+]1Cc1cn2cc(C#N)ccc2n1 ZINC001237612438 944886880 /nfs/dbraw/zinc/88/68/80/944886880.db2.gz YJGBUTVVLOBJMG-ZDUSSCGKSA-N 1 2 256.309 1.427 20 30 CDEDLO C=C1CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC001262359948 946605784 /nfs/dbraw/zinc/60/57/84/946605784.db2.gz PXULDZBTAGFHAG-CYBMUJFWSA-N 1 2 267.373 1.069 20 30 CDEDLO C=C1CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001262359948 946605787 /nfs/dbraw/zinc/60/57/87/946605787.db2.gz PXULDZBTAGFHAG-CYBMUJFWSA-N 1 2 267.373 1.069 20 30 CDEDLO C=C[C@H](COC)NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC001255018186 947693720 /nfs/dbraw/zinc/69/37/20/947693720.db2.gz CEYXOVMRDSIMSK-VXGBXAGGSA-N 1 2 278.356 1.120 20 30 CDEDLO C=CCN(Cc1ccccc1)[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246841554 948471809 /nfs/dbraw/zinc/47/18/09/948471809.db2.gz UTQLXBYRSBVYRF-GJZGRUSLSA-N 1 2 274.364 1.578 20 30 CDEDLO C[C@@H](O)[C@H]([NH3+])c1nc(-c2cc(C#N)ccc2F)no1 ZINC001247617724 948681817 /nfs/dbraw/zinc/68/18/17/948681817.db2.gz WWOFNSWOBRUTPY-LDWIPMOCSA-N 1 2 262.244 1.128 20 30 CDEDLO CCOC(=O)CC[C@@H](C)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001258492487 948891119 /nfs/dbraw/zinc/89/11/19/948891119.db2.gz TYHZKKQFEDSZOD-PWSUYJOCSA-N 1 2 283.393 1.992 20 30 CDEDLO CCOC(=O)CC[C@@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258492487 948891144 /nfs/dbraw/zinc/89/11/44/948891144.db2.gz TYHZKKQFEDSZOD-PWSUYJOCSA-N 1 2 283.393 1.992 20 30 CDEDLO CCOC(=O)CC[C@@H](C)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258492487 948891161 /nfs/dbraw/zinc/89/11/61/948891161.db2.gz TYHZKKQFEDSZOD-PWSUYJOCSA-N 1 2 283.393 1.992 20 30 CDEDLO CCOC(=O)CC[C@@H](C)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258492487 948891176 /nfs/dbraw/zinc/89/11/76/948891176.db2.gz TYHZKKQFEDSZOD-PWSUYJOCSA-N 1 2 283.393 1.992 20 30 CDEDLO N#Cc1ccn2ncc(C[N@@H+]3CCOC[C@H]3C3CC3)c2c1 ZINC001249118804 949392117 /nfs/dbraw/zinc/39/21/17/949392117.db2.gz LBDHUONBWSBZKY-INIZCTEOSA-N 1 2 282.347 1.817 20 30 CDEDLO N#Cc1ccn2ncc(C[N@H+]3CCOC[C@H]3C3CC3)c2c1 ZINC001249118804 949392140 /nfs/dbraw/zinc/39/21/40/949392140.db2.gz LBDHUONBWSBZKY-INIZCTEOSA-N 1 2 282.347 1.817 20 30 CDEDLO N#C[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc(F)c2)C1 ZINC001250809049 950390538 /nfs/dbraw/zinc/39/05/38/950390538.db2.gz MUASVACZPWGJBT-DGCLKSJQSA-N 1 2 264.300 1.411 20 30 CDEDLO N#C[C@H]1CC[N@H+](C[C@@H](O)COc2cccc(F)c2)C1 ZINC001250809049 950390556 /nfs/dbraw/zinc/39/05/56/950390556.db2.gz MUASVACZPWGJBT-DGCLKSJQSA-N 1 2 264.300 1.411 20 30 CDEDLO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](C#N)C1 ZINC001251696977 950764778 /nfs/dbraw/zinc/76/47/78/950764778.db2.gz OIHXJTIKVNJCOE-KBPBESRZSA-N 1 2 260.337 1.580 20 30 CDEDLO Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](C#N)C1 ZINC001251696977 950764793 /nfs/dbraw/zinc/76/47/93/950764793.db2.gz OIHXJTIKVNJCOE-KBPBESRZSA-N 1 2 260.337 1.580 20 30 CDEDLO C=CCC[C@H](O)C[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001252604526 951501623 /nfs/dbraw/zinc/50/16/23/951501623.db2.gz SRGQERAEFGRDEM-AWEZNQCLSA-N 1 2 272.348 1.948 20 30 CDEDLO Cc1nc(N2CCCCC2)sc1C=[NH+]OCC(N)=O ZINC001254077038 952184705 /nfs/dbraw/zinc/18/47/05/952184705.db2.gz PFWCTGDXYLZOLT-UHFFFAOYSA-N 1 2 282.369 1.278 20 30 CDEDLO NC(=[NH+]OCC[C@H]1CCOC1)c1ccc(F)cc1 ZINC001325696679 954031576 /nfs/dbraw/zinc/03/15/76/954031576.db2.gz VFMRZZLEWFQUSK-SNVBAGLBSA-N 1 2 252.289 1.889 20 30 CDEDLO C[N@@H+]1CCC[C@@H]1C(=O)Nc1n[nH]c(-c2cccc(C#N)c2)n1 ZINC001364123025 954228015 /nfs/dbraw/zinc/22/80/15/954228015.db2.gz FIMQOBOTQBFIGK-GFCCVEGCSA-N 1 2 296.334 1.376 20 30 CDEDLO C[N@H+]1CCC[C@@H]1C(=O)Nc1n[nH]c(-c2cccc(C#N)c2)n1 ZINC001364123025 954228022 /nfs/dbraw/zinc/22/80/22/954228022.db2.gz FIMQOBOTQBFIGK-GFCCVEGCSA-N 1 2 296.334 1.376 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CC[C@@H]1CCCO1 ZINC001492194906 955694584 /nfs/dbraw/zinc/69/45/84/955694584.db2.gz IOLBDYSCIVUHHT-LBPRGKRZSA-N 1 2 274.792 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CC[C@@H]1CCCO1 ZINC001492194906 955694594 /nfs/dbraw/zinc/69/45/94/955694594.db2.gz IOLBDYSCIVUHHT-LBPRGKRZSA-N 1 2 274.792 1.746 20 30 CDEDLO CCOC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001365293434 955842554 /nfs/dbraw/zinc/84/25/54/955842554.db2.gz YDQHPUZBVHOJRH-HUUCEWRRSA-N 1 2 288.347 1.619 20 30 CDEDLO CCOC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001365293434 955842567 /nfs/dbraw/zinc/84/25/67/955842567.db2.gz YDQHPUZBVHOJRH-HUUCEWRRSA-N 1 2 288.347 1.619 20 30 CDEDLO C=CC[C@H]([NH2+][C@@H](C)C[C@H]1CCCC(=O)N1)C(=O)OCC ZINC001330639137 956533664 /nfs/dbraw/zinc/53/36/64/956533664.db2.gz PBCMTWYBRKCFOZ-XQQFMLRXSA-N 1 2 282.384 1.531 20 30 CDEDLO N#Cc1cnc(NCC[NH+]2CC=CC2)c(Br)c1 ZINC001330804573 956639848 /nfs/dbraw/zinc/63/98/48/956639848.db2.gz CHBUUVAMCHXOAT-UHFFFAOYSA-N 1 2 293.168 1.999 20 30 CDEDLO CCc1ccc(CC[NH+]2CC(NC(=O)[C@H](C)C#N)C2)cc1 ZINC001494362597 972217432 /nfs/dbraw/zinc/21/74/32/972217432.db2.gz SXVXPAMBNLZLLH-CYBMUJFWSA-N 1 2 285.391 1.752 20 30 CDEDLO C[C@@H](C#N)C(=O)NC1C[NH+](CCCc2ccsc2)C1 ZINC001366910378 957260003 /nfs/dbraw/zinc/26/00/03/957260003.db2.gz DPEXTEUKAGCHQZ-NSHDSACASA-N 1 2 277.393 1.641 20 30 CDEDLO N#CCc1ccnc(NC(=O)NCc2ccc(N)[nH+]c2)c1 ZINC001426073978 957674222 /nfs/dbraw/zinc/67/42/22/957674222.db2.gz PGWCBJFRNVHCAT-UHFFFAOYSA-N 1 2 282.307 1.447 20 30 CDEDLO C[C@@H](Nc1cc(C#N)sc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC001334173190 958900925 /nfs/dbraw/zinc/90/09/25/958900925.db2.gz QSFFDWZPIXBAIA-KCJUWKMLSA-N 1 2 296.352 1.659 20 30 CDEDLO C[C@@H](Nc1cc(C#N)sc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC001334173190 958900940 /nfs/dbraw/zinc/90/09/40/958900940.db2.gz QSFFDWZPIXBAIA-KCJUWKMLSA-N 1 2 296.352 1.659 20 30 CDEDLO C#CCNC(=O)[C@@H](C)SCc1cc[nH+]c(N(C)C)c1 ZINC001320279832 959047624 /nfs/dbraw/zinc/04/76/24/959047624.db2.gz LHRRVCOTAOIRQU-LLVKDONJSA-N 1 2 277.393 1.519 20 30 CDEDLO C=C[C@H](COC)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001320583808 959259567 /nfs/dbraw/zinc/25/95/67/959259567.db2.gz LYTYBLKMFCWVHI-GFCCVEGCSA-N 1 2 292.383 1.262 20 30 CDEDLO C=C[C@H](CC)CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC001334745532 959324585 /nfs/dbraw/zinc/32/45/85/959324585.db2.gz HVZZMGAKDQJNBX-QWHCGFSZSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001334949785 959483836 /nfs/dbraw/zinc/48/38/36/959483836.db2.gz YDAKWLDLPZDGAG-STQMWFEESA-N 1 2 275.352 1.970 20 30 CDEDLO C=CCn1cnn(C[N@H+](C)C[C@@H]2CCCOC2)c1=S ZINC001322577232 960265339 /nfs/dbraw/zinc/26/53/39/960265339.db2.gz IPGAARBDFRAVTB-LBPRGKRZSA-N 1 2 282.413 1.916 20 30 CDEDLO C=CCn1cnn(C[N@@H+](C)C[C@@H]2CCCOC2)c1=S ZINC001322577232 960265349 /nfs/dbraw/zinc/26/53/49/960265349.db2.gz IPGAARBDFRAVTB-LBPRGKRZSA-N 1 2 282.413 1.916 20 30 CDEDLO N#Cc1cnc(C(=O)NCCn2cc[nH+]c2)c(Cl)c1 ZINC001433609913 960446071 /nfs/dbraw/zinc/44/60/71/960446071.db2.gz VKMKTSFMPOBICX-UHFFFAOYSA-N 1 2 275.699 1.233 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)CCc1cn[nH]c1)C1CC1 ZINC001418791231 961025331 /nfs/dbraw/zinc/02/53/31/961025331.db2.gz ZQHKXHXSHINOGW-UHFFFAOYSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)CCc1cn[nH]c1)C1CC1 ZINC001418791231 961025345 /nfs/dbraw/zinc/02/53/45/961025345.db2.gz ZQHKXHXSHINOGW-UHFFFAOYSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCc2ccncn2)C1 ZINC001419060919 961317333 /nfs/dbraw/zinc/31/73/33/961317333.db2.gz HKJWSAJBCATRHV-ZDUSSCGKSA-N 1 2 294.786 1.352 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCc2ccncn2)C1 ZINC001419060919 961317355 /nfs/dbraw/zinc/31/73/55/961317355.db2.gz HKJWSAJBCATRHV-ZDUSSCGKSA-N 1 2 294.786 1.352 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cn(CC)nc1C ZINC001438914061 963599808 /nfs/dbraw/zinc/59/98/08/963599808.db2.gz BDINDGUVEKUCLU-UHFFFAOYSA-N 1 2 298.818 1.968 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cn(CC)nc1C ZINC001438914061 963599811 /nfs/dbraw/zinc/59/98/11/963599811.db2.gz BDINDGUVEKUCLU-UHFFFAOYSA-N 1 2 298.818 1.968 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)c1cc(C#N)cs1 ZINC001347711551 965667322 /nfs/dbraw/zinc/66/73/22/965667322.db2.gz MJYJPHOZYDFMRY-UHFFFAOYSA-N 1 2 260.322 1.326 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)COc1cccnc1 ZINC001445850255 966362842 /nfs/dbraw/zinc/36/28/42/966362842.db2.gz XXQZHCVCLNQFHE-LBPRGKRZSA-N 1 2 297.786 1.649 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)COc1cccnc1 ZINC001445850255 966362850 /nfs/dbraw/zinc/36/28/50/966362850.db2.gz XXQZHCVCLNQFHE-LBPRGKRZSA-N 1 2 297.786 1.649 20 30 CDEDLO C=C(C)C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)[O-] ZINC001350611794 966711776 /nfs/dbraw/zinc/71/17/76/966711776.db2.gz XIPVXZHMUHOPAQ-UONOGXRCSA-N 1 2 282.384 1.249 20 30 CDEDLO COc1ncc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1C#N ZINC001455608653 968748730 /nfs/dbraw/zinc/74/87/30/968748730.db2.gz VREJBRBEACXRKE-VXGBXAGGSA-N 1 2 297.318 1.438 20 30 CDEDLO CN(Cc1cccc(C#N)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001464070337 969769238 /nfs/dbraw/zinc/76/92/38/969769238.db2.gz BJCDNFJCEUAYEY-UHFFFAOYSA-N 1 2 254.293 1.482 20 30 CDEDLO CC[C@H](C(=O)N(CC)C[C@@H](C)C#N)[N@@H+]1CCO[C@H](CC)C1 ZINC001361851866 970605407 /nfs/dbraw/zinc/60/54/07/970605407.db2.gz BMRUHIQBDVWGJS-RRFJBIMHSA-N 1 2 295.427 1.884 20 30 CDEDLO CC[C@H](C(=O)N(CC)C[C@@H](C)C#N)[N@H+]1CCO[C@H](CC)C1 ZINC001361851866 970605418 /nfs/dbraw/zinc/60/54/18/970605418.db2.gz BMRUHIQBDVWGJS-RRFJBIMHSA-N 1 2 295.427 1.884 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC2(O)CCC2)C1 ZINC001417939805 973485626 /nfs/dbraw/zinc/48/56/26/973485626.db2.gz OAWRQPCMYQLJKF-LLVKDONJSA-N 1 2 272.776 1.235 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC2(O)CCC2)C1 ZINC001417939805 973485633 /nfs/dbraw/zinc/48/56/33/973485633.db2.gz OAWRQPCMYQLJKF-LLVKDONJSA-N 1 2 272.776 1.235 20 30 CDEDLO COCC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001373580545 973496450 /nfs/dbraw/zinc/49/64/50/973496450.db2.gz DIIASGIBQFDWDS-ZDUSSCGKSA-N 1 2 291.326 1.034 20 30 CDEDLO COCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001373580545 973496455 /nfs/dbraw/zinc/49/64/55/973496455.db2.gz DIIASGIBQFDWDS-ZDUSSCGKSA-N 1 2 291.326 1.034 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccc2cccnn21 ZINC001418499713 973904288 /nfs/dbraw/zinc/90/42/88/973904288.db2.gz AWSYHMUSBQBTBL-UHFFFAOYSA-N 1 2 292.770 1.748 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccc2cccnn21 ZINC001418499713 973904297 /nfs/dbraw/zinc/90/42/97/973904297.db2.gz AWSYHMUSBQBTBL-UHFFFAOYSA-N 1 2 292.770 1.748 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cncnc1CC ZINC001498456742 973926863 /nfs/dbraw/zinc/92/68/63/973926863.db2.gz KSJUWJHMDQBAJM-NSHDSACASA-N 1 2 296.802 1.842 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cncnc1CC ZINC001498456742 973926873 /nfs/dbraw/zinc/92/68/73/973926873.db2.gz KSJUWJHMDQBAJM-NSHDSACASA-N 1 2 296.802 1.842 20 30 CDEDLO C=C(Cl)CN1CC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001375322874 974337108 /nfs/dbraw/zinc/33/71/08/974337108.db2.gz BNUFXGXQWPHLDK-LBPRGKRZSA-N 1 2 296.802 1.296 20 30 CDEDLO CC(C)c1cnc(C[NH2+]C2(CNC(=O)[C@@H](C)C#N)CC2)o1 ZINC001375406291 974370319 /nfs/dbraw/zinc/37/03/19/974370319.db2.gz YQOSZRUKXNRTHZ-NSHDSACASA-N 1 2 290.367 1.696 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(C)o2)C1 ZINC001500630731 974456908 /nfs/dbraw/zinc/45/69/08/974456908.db2.gz AXAWYEGRMWFPRY-AWEZNQCLSA-N 1 2 298.770 1.507 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(C)o2)C1 ZINC001500630731 974456911 /nfs/dbraw/zinc/45/69/11/974456911.db2.gz AXAWYEGRMWFPRY-AWEZNQCLSA-N 1 2 298.770 1.507 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1[nH]cnc1C ZINC001378245387 975306658 /nfs/dbraw/zinc/30/66/58/975306658.db2.gz AEDGSYBBCYOCOS-VIFPVBQESA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1[nH]cnc1C ZINC001378245387 975306661 /nfs/dbraw/zinc/30/66/61/975306661.db2.gz AEDGSYBBCYOCOS-VIFPVBQESA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnnn1CC ZINC001379659022 975994216 /nfs/dbraw/zinc/99/42/16/975994216.db2.gz RGZIIGGPABEFOK-SNVBAGLBSA-N 1 2 285.779 1.101 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cnnn1CC ZINC001379659022 975994223 /nfs/dbraw/zinc/99/42/23/975994223.db2.gz RGZIIGGPABEFOK-SNVBAGLBSA-N 1 2 285.779 1.101 20 30 CDEDLO C[C@@H](C#N)C(=O)NC1(C)CC[NH+](Cc2ncccn2)CC1 ZINC001380299647 976337812 /nfs/dbraw/zinc/33/78/12/976337812.db2.gz PKZNJNABAKLKCY-LBPRGKRZSA-N 1 2 287.367 1.107 20 30 CDEDLO Cc1nc(C[N@@H+](C)CCNC(=O)[C@H](C)C#N)sc1C ZINC001399434836 976486023 /nfs/dbraw/zinc/48/60/23/976486023.db2.gz ISLVAIIMTDTEKK-SECBINFHSA-N 1 2 280.397 1.468 20 30 CDEDLO Cc1nc(C[N@H+](C)CCNC(=O)[C@H](C)C#N)sc1C ZINC001399434836 976486027 /nfs/dbraw/zinc/48/60/27/976486027.db2.gz ISLVAIIMTDTEKK-SECBINFHSA-N 1 2 280.397 1.468 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1COc2ccccc21 ZINC001390877024 976581150 /nfs/dbraw/zinc/58/11/50/976581150.db2.gz ZFJZXOCEGIUQOZ-ZDUSSCGKSA-N 1 2 294.782 1.963 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1COc2ccccc21 ZINC001390877024 976581160 /nfs/dbraw/zinc/58/11/60/976581160.db2.gz ZFJZXOCEGIUQOZ-ZDUSSCGKSA-N 1 2 294.782 1.963 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc(F)c[nH]1 ZINC001403884929 977245571 /nfs/dbraw/zinc/24/55/71/977245571.db2.gz XUBGUHRGLDOANK-UHFFFAOYSA-N 1 2 273.739 1.958 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc(F)c[nH]1 ZINC001403884929 977245579 /nfs/dbraw/zinc/24/55/79/977245579.db2.gz XUBGUHRGLDOANK-UHFFFAOYSA-N 1 2 273.739 1.958 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cn(C)cn1 ZINC001394058994 978038880 /nfs/dbraw/zinc/03/88/80/978038880.db2.gz QZISTDMDIUOVTP-JTQLQIEISA-N 1 2 270.764 1.223 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cn(C)cn1 ZINC001394058994 978038886 /nfs/dbraw/zinc/03/88/86/978038886.db2.gz QZISTDMDIUOVTP-JTQLQIEISA-N 1 2 270.764 1.223 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1ncc(CC)o1 ZINC001132401786 1163268491 /nfs/dbraw/zinc/26/84/91/1163268491.db2.gz DURQYXKUSYHJOE-UHFFFAOYSA-N 1 2 265.357 1.655 20 30 CDEDLO C=C1CCC(C(=O)NCC[NH2+]Cc2nnc(CC)o2)CC1 ZINC001133362376 1163655475 /nfs/dbraw/zinc/65/54/75/1163655475.db2.gz CPHHVEIOWLDMDW-UHFFFAOYSA-N 1 2 292.383 1.584 20 30 CDEDLO C=CCC1(C(=O)NCC[NH2+][C@H](C)c2nnc(C)o2)CCC1 ZINC001133395137 1163671156 /nfs/dbraw/zinc/67/11/56/1163671156.db2.gz CJAYKEZMFMZPQV-LLVKDONJSA-N 1 2 292.383 1.891 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccnc(C#N)c1)C1CC1 ZINC000587201780 342474643 /nfs/dbraw/zinc/47/46/43/342474643.db2.gz VPURNCAXJQWAKH-ZDUSSCGKSA-N 1 2 281.319 1.568 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)CCCCCC#N ZINC000588295225 342495648 /nfs/dbraw/zinc/49/56/48/342495648.db2.gz CEKMZSUKNVAHIR-CYBMUJFWSA-N 1 2 267.373 1.297 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000590022614 342520314 /nfs/dbraw/zinc/52/03/14/342520314.db2.gz KKECMFUVAVDULN-STQMWFEESA-N 1 2 253.342 1.463 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000590022614 342520315 /nfs/dbraw/zinc/52/03/15/342520315.db2.gz KKECMFUVAVDULN-STQMWFEESA-N 1 2 253.342 1.463 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CCO1 ZINC000590162499 342523714 /nfs/dbraw/zinc/52/37/14/342523714.db2.gz UEUFVVOQSPHZAV-AGIUHOORSA-N 1 2 280.368 1.721 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+]([C@H]2CC[C@@H](C#N)C2)CCO1 ZINC000590162499 342523715 /nfs/dbraw/zinc/52/37/15/342523715.db2.gz UEUFVVOQSPHZAV-AGIUHOORSA-N 1 2 280.368 1.721 20 30 CDEDLO N#CCCN1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000601262787 342540059 /nfs/dbraw/zinc/54/00/59/342540059.db2.gz ZSLFQUZHWBAETQ-UHFFFAOYSA-N 1 2 267.336 1.665 20 30 CDEDLO N#CCc1cccc(C(=O)N2CCc3[nH]c[nH+]c3C2)c1 ZINC000590379546 342541222 /nfs/dbraw/zinc/54/12/22/342541222.db2.gz VXJOAJPNIZPCOG-UHFFFAOYSA-N 1 2 266.304 1.674 20 30 CDEDLO N#CCc1cccc(C(=O)N2CCc3[nH+]c[nH]c3C2)c1 ZINC000590379546 342541223 /nfs/dbraw/zinc/54/12/23/342541223.db2.gz VXJOAJPNIZPCOG-UHFFFAOYSA-N 1 2 266.304 1.674 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000351544159 361749128 /nfs/dbraw/zinc/74/91/28/361749128.db2.gz JWDLHAORFWULPA-KBPBESRZSA-N 1 2 294.374 1.415 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000351544159 361749130 /nfs/dbraw/zinc/74/91/30/361749130.db2.gz JWDLHAORFWULPA-KBPBESRZSA-N 1 2 294.374 1.415 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCc2[nH+]c[nH]c2C1 ZINC000590601001 342577582 /nfs/dbraw/zinc/57/75/82/342577582.db2.gz OYVDNLYKFJBCSR-LLVKDONJSA-N 1 2 295.346 1.667 20 30 CDEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H](C)C2CCC2)c1C#N ZINC000591014453 342613395 /nfs/dbraw/zinc/61/33/95/342613395.db2.gz VPPGKSPNBKEVMU-SNVBAGLBSA-N 1 2 289.383 1.230 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000591258863 342623216 /nfs/dbraw/zinc/62/32/16/342623216.db2.gz AIPQZHFDXHZKFT-ZWNOBZJWSA-N 1 2 261.300 1.823 20 30 CDEDLO CC1(C#N)CC[NH+](CC(=O)NC(C2CC2)C2CC2)CC1 ZINC000611553463 346822253 /nfs/dbraw/zinc/82/22/53/346822253.db2.gz LNKOWWKGRXWBNY-UHFFFAOYSA-N 1 2 275.396 1.917 20 30 CDEDLO Cc1cc(C[NH2+]Cc2nnnn2C2CC2)ccc1C#N ZINC000618194435 342141939 /nfs/dbraw/zinc/14/19/39/342141939.db2.gz KPXQZJBENGICJP-UHFFFAOYSA-N 1 2 268.324 1.478 20 30 CDEDLO N#CC1(NC(=O)C[NH+]2CCSCC2)CCCCC1 ZINC000047987917 342151004 /nfs/dbraw/zinc/15/10/04/342151004.db2.gz OVKQJZLONOBTPX-UHFFFAOYSA-N 1 2 267.398 1.378 20 30 CDEDLO Cn1c2cc(F)ccc2[nH+]c1N1CC[C@](O)(CC#N)C1 ZINC000591972416 342660761 /nfs/dbraw/zinc/66/07/61/342660761.db2.gz CRSNGCYKQVROLL-CQSZACIVSA-N 1 2 274.299 1.567 20 30 CDEDLO N#CC[C@]1(O)CCN(c2cc[nH+]c3ccncc32)C1 ZINC000591975708 342661112 /nfs/dbraw/zinc/66/11/12/342661112.db2.gz QSZCUHFUCLIYGX-AWEZNQCLSA-N 1 2 254.293 1.485 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000594007973 342862976 /nfs/dbraw/zinc/86/29/76/342862976.db2.gz FQWPOIPJMCIQHQ-LBPRGKRZSA-N 1 2 266.366 1.872 20 30 CDEDLO CC[C@]1(C)C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000347083871 529407334 /nfs/dbraw/zinc/40/73/34/529407334.db2.gz ZRDUYSLZEYTISK-GXTWGEPZSA-N 1 2 279.384 1.438 20 30 CDEDLO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cn2)cn1 ZINC000593968628 342858550 /nfs/dbraw/zinc/85/85/50/342858550.db2.gz WDWPBUVVSKKSNC-UHFFFAOYSA-N 1 2 268.320 1.989 20 30 CDEDLO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cn2)cn1 ZINC000593968628 342858551 /nfs/dbraw/zinc/85/85/51/342858551.db2.gz WDWPBUVVSKKSNC-UHFFFAOYSA-N 1 2 268.320 1.989 20 30 CDEDLO CC[C@]1(C)C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000347083871 529407337 /nfs/dbraw/zinc/40/73/37/529407337.db2.gz ZRDUYSLZEYTISK-GXTWGEPZSA-N 1 2 279.384 1.438 20 30 CDEDLO C[C@H]([C@H](C)Nc1cnccc1C#N)[NH+]1CCOCC1 ZINC000094155977 342236620 /nfs/dbraw/zinc/23/66/20/342236620.db2.gz UEOJLLTZSMSLEH-NWDGAFQWSA-N 1 2 260.341 1.474 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000191631837 539155710 /nfs/dbraw/zinc/15/57/10/539155710.db2.gz IAFJIBPTSXMEKC-ZDUSSCGKSA-N 1 2 291.370 1.638 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000191631837 539155711 /nfs/dbraw/zinc/15/57/11/539155711.db2.gz IAFJIBPTSXMEKC-ZDUSSCGKSA-N 1 2 291.370 1.638 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCc1ccc(C#N)cc1 ZINC000594685998 342941108 /nfs/dbraw/zinc/94/11/08/342941108.db2.gz LQQLTCSKBOBABG-ZDUSSCGKSA-N 1 2 297.362 1.685 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000366992827 529584794 /nfs/dbraw/zinc/58/47/94/529584794.db2.gz FANQBRSQGBEDQN-OCCSQVGLSA-N 1 2 272.352 1.464 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000366992827 529584798 /nfs/dbraw/zinc/58/47/98/529584798.db2.gz FANQBRSQGBEDQN-OCCSQVGLSA-N 1 2 272.352 1.464 20 30 CDEDLO N#Cc1ccc(CC[N@H+]2CCSC[C@@H]2C(N)=O)cc1 ZINC000595404482 343049404 /nfs/dbraw/zinc/04/94/04/343049404.db2.gz LYFYWLLOHMTRKI-CYBMUJFWSA-N 1 2 275.377 1.003 20 30 CDEDLO N#Cc1ccc(CC[N@@H+]2CCSC[C@@H]2C(N)=O)cc1 ZINC000595404482 343049406 /nfs/dbraw/zinc/04/94/06/343049406.db2.gz LYFYWLLOHMTRKI-CYBMUJFWSA-N 1 2 275.377 1.003 20 30 CDEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000300404049 362069344 /nfs/dbraw/zinc/06/93/44/362069344.db2.gz ZAPBDSUHEIZMJV-GFCCVEGCSA-N 1 2 293.392 1.191 20 30 CDEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@H+](C)C[C@H]1C ZINC000300404049 362069347 /nfs/dbraw/zinc/06/93/47/362069347.db2.gz ZAPBDSUHEIZMJV-GFCCVEGCSA-N 1 2 293.392 1.191 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000595613771 343109613 /nfs/dbraw/zinc/10/96/13/343109613.db2.gz HFWWKDXPFJADCQ-WDEREUQCSA-N 1 2 289.301 1.775 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000595613771 343109614 /nfs/dbraw/zinc/10/96/14/343109614.db2.gz HFWWKDXPFJADCQ-WDEREUQCSA-N 1 2 289.301 1.775 20 30 CDEDLO C[C@@H]1CCSCCN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330055746 362133155 /nfs/dbraw/zinc/13/31/55/362133155.db2.gz UUWJIFQVNOWDFS-VXGBXAGGSA-N 1 2 294.424 1.939 20 30 CDEDLO C[C@H](CNC(=O)CNc1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000081800749 342374140 /nfs/dbraw/zinc/37/41/40/342374140.db2.gz FRBONZSANVSQDJ-CYBMUJFWSA-N 1 2 297.362 1.619 20 30 CDEDLO Cc1nsc(N2CCC[C@H]([NH+]3CCOCC3)C2)c1C#N ZINC000596246033 343286088 /nfs/dbraw/zinc/28/60/88/343286088.db2.gz AXAQJMZGZGRLPX-LBPRGKRZSA-N 1 2 292.408 1.624 20 30 CDEDLO Cc1nsc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c1C#N ZINC000596432726 343320022 /nfs/dbraw/zinc/32/00/22/343320022.db2.gz SGHZHADJXVZPDM-UWVGGRQHSA-N 1 2 280.397 1.844 20 30 CDEDLO Cc1nsc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c1C#N ZINC000596432726 343320025 /nfs/dbraw/zinc/32/00/25/343320025.db2.gz SGHZHADJXVZPDM-UWVGGRQHSA-N 1 2 280.397 1.844 20 30 CDEDLO N#CCCN(CCC#N)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000596894604 343410556 /nfs/dbraw/zinc/41/05/56/343410556.db2.gz OTNLNFSIUKPZOQ-LLVKDONJSA-N 1 2 271.324 1.171 20 30 CDEDLO N#CCCN(CCC#N)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000596894604 343410557 /nfs/dbraw/zinc/41/05/57/343410557.db2.gz OTNLNFSIUKPZOQ-LLVKDONJSA-N 1 2 271.324 1.171 20 30 CDEDLO N#CCC(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000597643198 343590172 /nfs/dbraw/zinc/59/01/72/343590172.db2.gz ZYDANROMNDGAOL-UHFFFAOYSA-N 1 2 278.381 1.521 20 30 CDEDLO N#CC1(CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000597783598 343633930 /nfs/dbraw/zinc/63/39/30/343633930.db2.gz LFUKJVZISZSADF-JTQLQIEISA-N 1 2 258.325 1.325 20 30 CDEDLO N#CC1(CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000597783598 343633933 /nfs/dbraw/zinc/63/39/33/343633933.db2.gz LFUKJVZISZSADF-JTQLQIEISA-N 1 2 258.325 1.325 20 30 CDEDLO CN(C)[C@H](C(=O)N1CCC[C@@H](CC#N)C1)c1c[nH+]cn1C ZINC000597902956 343665895 /nfs/dbraw/zinc/66/58/95/343665895.db2.gz FSEZSTHOOHIDBY-JSGCOSHPSA-N 1 2 289.383 1.175 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000597995323 343684097 /nfs/dbraw/zinc/68/40/97/343684097.db2.gz MDQVEYSMHSZOGK-QWRGUYRKSA-N 1 2 291.351 1.299 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000597995323 343684100 /nfs/dbraw/zinc/68/41/00/343684100.db2.gz MDQVEYSMHSZOGK-QWRGUYRKSA-N 1 2 291.351 1.299 20 30 CDEDLO C[C@@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000140810459 346958774 /nfs/dbraw/zinc/95/87/74/346958774.db2.gz YMZFNIGKAGVTRT-MNOVXSKESA-N 1 2 284.319 1.926 20 30 CDEDLO C=C[C@H]([NH2+]CCCNC(=O)c1occc1C)C(=O)OC ZINC000619702948 349859439 /nfs/dbraw/zinc/85/94/39/349859439.db2.gz UNXJFVBPXARNKI-NSHDSACASA-N 1 2 280.324 1.025 20 30 CDEDLO N#Cc1cc(-c2ccc(NCCOCCO)[nH+]c2)ccc1O ZINC000600780075 349880178 /nfs/dbraw/zinc/88/01/78/349880178.db2.gz LOLGSYPJCBCSSI-UHFFFAOYSA-N 1 2 299.330 1.169 20 30 CDEDLO Cc1c(Cl)cnc(NCC[N@H+]2CCOC[C@H]2C)c1C#N ZINC000612079467 347006282 /nfs/dbraw/zinc/00/62/82/347006282.db2.gz RKTVZLUNEGXMAI-SNVBAGLBSA-N 1 2 294.786 1.470 20 30 CDEDLO Cc1c(Cl)cnc(NCC[N@@H+]2CCOC[C@H]2C)c1C#N ZINC000612079467 347006285 /nfs/dbraw/zinc/00/62/85/347006285.db2.gz RKTVZLUNEGXMAI-SNVBAGLBSA-N 1 2 294.786 1.470 20 30 CDEDLO CC#CCNc1[nH+]cnc2c1c(Br)nn2C ZINC000159149849 362290073 /nfs/dbraw/zinc/29/00/73/362290073.db2.gz WDZKXJXTVMCKFR-UHFFFAOYSA-N 1 2 280.129 1.561 20 30 CDEDLO N#CCCOCC[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000599619287 344096396 /nfs/dbraw/zinc/09/63/96/344096396.db2.gz FXFQDDOXSGWQAL-UHFFFAOYSA-N 1 2 272.352 1.642 20 30 CDEDLO N#CCCOCC[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000599619287 344096400 /nfs/dbraw/zinc/09/64/00/344096400.db2.gz FXFQDDOXSGWQAL-UHFFFAOYSA-N 1 2 272.352 1.642 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000599951229 344156770 /nfs/dbraw/zinc/15/67/70/344156770.db2.gz BKWRMQPBLHHZDC-UHFFFAOYSA-N 1 2 255.281 1.116 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000599951229 344156771 /nfs/dbraw/zinc/15/67/71/344156771.db2.gz BKWRMQPBLHHZDC-UHFFFAOYSA-N 1 2 255.281 1.116 20 30 CDEDLO Cc1cn2ccc(C(=O)N3CC(C)(C#N)C3)cc2[nH+]1 ZINC000602144618 344350138 /nfs/dbraw/zinc/35/01/38/344350138.db2.gz XUXFZLPWCKLBEB-UHFFFAOYSA-N 1 2 254.293 1.628 20 30 CDEDLO N#CCCN1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000602208850 344376321 /nfs/dbraw/zinc/37/63/21/344376321.db2.gz QSIDMFBSITUOCU-UHFFFAOYSA-N 1 2 283.335 1.006 20 30 CDEDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000536676243 282339232 /nfs/dbraw/zinc/33/92/32/282339232.db2.gz DZRVLNIHDHMJKN-GFCCVEGCSA-N 1 2 299.421 1.133 20 30 CDEDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000536676243 282339234 /nfs/dbraw/zinc/33/92/34/282339234.db2.gz DZRVLNIHDHMJKN-GFCCVEGCSA-N 1 2 299.421 1.133 20 30 CDEDLO COCC[N@H+](CCC#N)Cc1ccc2nccnc2c1 ZINC000602464967 344441414 /nfs/dbraw/zinc/44/14/14/344441414.db2.gz IUESANMKUKWLAM-UHFFFAOYSA-N 1 2 270.336 1.992 20 30 CDEDLO COCC[N@@H+](CCC#N)Cc1ccc2nccnc2c1 ZINC000602464967 344441415 /nfs/dbraw/zinc/44/14/15/344441415.db2.gz IUESANMKUKWLAM-UHFFFAOYSA-N 1 2 270.336 1.992 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cccc(C#N)n2)C1=O ZINC000602650582 344515823 /nfs/dbraw/zinc/51/58/23/344515823.db2.gz YVEBDTMBSNOHII-CQSZACIVSA-N 1 2 270.336 1.172 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cccc(C#N)n2)C1=O ZINC000602650582 344515826 /nfs/dbraw/zinc/51/58/26/344515826.db2.gz YVEBDTMBSNOHII-CQSZACIVSA-N 1 2 270.336 1.172 20 30 CDEDLO CN1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2C#N)C1=O ZINC000274785792 529985553 /nfs/dbraw/zinc/98/55/53/529985553.db2.gz MCFYCAPSGPHSSE-ZDUSSCGKSA-N 1 2 277.755 1.874 20 30 CDEDLO CN1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2C#N)C1=O ZINC000274785792 529985554 /nfs/dbraw/zinc/98/55/54/529985554.db2.gz MCFYCAPSGPHSSE-ZDUSSCGKSA-N 1 2 277.755 1.874 20 30 CDEDLO COCc1ccc(C[NH+]2CCN(CCC#N)CC2)o1 ZINC000602749151 344566818 /nfs/dbraw/zinc/56/68/18/344566818.db2.gz YTBUURDPUUNAGT-UHFFFAOYSA-N 1 2 263.341 1.457 20 30 CDEDLO N#CCC1(C[NH+]2CCN(C(=O)N3CCCCC3)CC2)CC1 ZINC000602759110 344582341 /nfs/dbraw/zinc/58/23/41/344582341.db2.gz PIEAUDQXHKIGRU-UHFFFAOYSA-N 1 2 290.411 1.904 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCC1(c2ccccc2)CC1 ZINC000602860278 344616037 /nfs/dbraw/zinc/61/60/37/344616037.db2.gz CEEODZKPVNVWFC-CYBMUJFWSA-N 1 2 271.364 1.726 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)NCc1ccccc1F ZINC000602861294 344616601 /nfs/dbraw/zinc/61/66/01/344616601.db2.gz GUMUHEAQAWVRFU-QWRGUYRKSA-N 1 2 263.316 1.722 20 30 CDEDLO C=CC[N@@H+](CCC#N)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602837614 344619684 /nfs/dbraw/zinc/61/96/84/344619684.db2.gz OMBZJDZWPIDGPT-UHFFFAOYSA-N 1 2 263.301 1.501 20 30 CDEDLO C=CC[N@H+](CCC#N)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602837614 344619687 /nfs/dbraw/zinc/61/96/87/344619687.db2.gz OMBZJDZWPIDGPT-UHFFFAOYSA-N 1 2 263.301 1.501 20 30 CDEDLO C=CCC[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)C(=O)OC ZINC000602887896 344635627 /nfs/dbraw/zinc/63/56/27/344635627.db2.gz WFHMEELLZDRHQP-CABCVRRESA-N 1 2 277.364 1.687 20 30 CDEDLO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC000602863563 344637685 /nfs/dbraw/zinc/63/76/85/344637685.db2.gz OHQLLMSPMRZDQZ-WDEREUQCSA-N 1 2 261.325 1.914 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCOc2ccc(C#N)cc2)nn1 ZINC000603178398 344721703 /nfs/dbraw/zinc/72/17/03/344721703.db2.gz UAXKPBXGZDLQSX-UHFFFAOYSA-N 1 2 295.346 1.342 20 30 CDEDLO COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166135 347067839 /nfs/dbraw/zinc/06/78/39/347067839.db2.gz AXURZGRSNCMKPF-JSGCOSHPSA-N 1 2 267.373 1.153 20 30 CDEDLO COCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166135 347067841 /nfs/dbraw/zinc/06/78/41/347067841.db2.gz AXURZGRSNCMKPF-JSGCOSHPSA-N 1 2 267.373 1.153 20 30 CDEDLO Cc1nc2ccccn2c1C[NH+]1CCN(CCC#N)CC1 ZINC000603821723 344836318 /nfs/dbraw/zinc/83/63/18/344836318.db2.gz SGKPXCNGENISAC-UHFFFAOYSA-N 1 2 283.379 1.674 20 30 CDEDLO N#Cc1cc(N2CCC[C@H](n3cc[nH+]c3)C2)ncn1 ZINC000617948640 344848778 /nfs/dbraw/zinc/84/87/78/344848778.db2.gz NCDFHXGCSAZNSP-LBPRGKRZSA-N 1 2 254.297 1.386 20 30 CDEDLO C=C[C@](C)(O)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000617478635 345564756 /nfs/dbraw/zinc/56/47/56/345564756.db2.gz OMCHKCPMDVEJEI-HNNXBMFYSA-N 1 2 275.352 1.235 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC(C)(C)OCC1(C)C)C1CC1 ZINC000609671530 345988410 /nfs/dbraw/zinc/98/84/10/345988410.db2.gz DVPBKGCJBSCCMN-INIZCTEOSA-N 1 2 293.411 1.684 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC(C)(C)OCC1(C)C)C1CC1 ZINC000609671530 345988414 /nfs/dbraw/zinc/98/84/14/345988414.db2.gz DVPBKGCJBSCCMN-INIZCTEOSA-N 1 2 293.411 1.684 20 30 CDEDLO CCn1cc[nH+]c1CN1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC000609921342 346041165 /nfs/dbraw/zinc/04/11/65/346041165.db2.gz KNCBHAFCBMPNQX-CYBMUJFWSA-N 1 2 289.383 1.097 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CC(=O)N[C@H](C)C2)cc1 ZINC000295134379 199365020 /nfs/dbraw/zinc/36/50/20/199365020.db2.gz YXQGSXXBEANKGI-GFCCVEGCSA-N 1 2 258.321 1.019 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CC(=O)N[C@H](C)C2)cc1 ZINC000295134379 199365022 /nfs/dbraw/zinc/36/50/22/199365022.db2.gz YXQGSXXBEANKGI-GFCCVEGCSA-N 1 2 258.321 1.019 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000249298157 362758046 /nfs/dbraw/zinc/75/80/46/362758046.db2.gz NFQWNWXOHIVWED-LALPHHSUSA-N 1 2 260.337 1.701 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000249298157 362758049 /nfs/dbraw/zinc/75/80/49/362758049.db2.gz NFQWNWXOHIVWED-LALPHHSUSA-N 1 2 260.337 1.701 20 30 CDEDLO CCCCCNC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611175673 346632306 /nfs/dbraw/zinc/63/23/06/346632306.db2.gz HZJKPKUPQRQREW-AWEZNQCLSA-N 1 2 280.416 1.213 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000611260851 346722394 /nfs/dbraw/zinc/72/23/94/346722394.db2.gz HDPMXDQAGZHZCZ-NSHDSACASA-N 1 2 281.381 1.650 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000611260851 346722396 /nfs/dbraw/zinc/72/23/96/346722396.db2.gz HDPMXDQAGZHZCZ-NSHDSACASA-N 1 2 281.381 1.650 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000611260849 346722413 /nfs/dbraw/zinc/72/24/13/346722413.db2.gz HDPMXDQAGZHZCZ-LLVKDONJSA-N 1 2 281.381 1.650 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000611260849 346722416 /nfs/dbraw/zinc/72/24/16/346722416.db2.gz HDPMXDQAGZHZCZ-LLVKDONJSA-N 1 2 281.381 1.650 20 30 CDEDLO C[C@]1(C#N)CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000612365455 347132930 /nfs/dbraw/zinc/13/29/30/347132930.db2.gz WJGCSDAOYVHJQU-CQSZACIVSA-N 1 2 260.341 1.816 20 30 CDEDLO CC#CCC[N@@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000613171623 347443070 /nfs/dbraw/zinc/44/30/70/347443070.db2.gz RWCVLTWFGUZLOD-LBPRGKRZSA-N 1 2 253.342 1.442 20 30 CDEDLO CC#CCC[N@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000613171623 347443072 /nfs/dbraw/zinc/44/30/72/347443072.db2.gz RWCVLTWFGUZLOD-LBPRGKRZSA-N 1 2 253.342 1.442 20 30 CDEDLO C=CCN(CCOC)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613932792 347941687 /nfs/dbraw/zinc/94/16/87/347941687.db2.gz XQCHIGFLOONZHO-VXGBXAGGSA-N 1 2 263.341 1.185 20 30 CDEDLO CCS(=O)(=O)CC[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000128839060 187393522 /nfs/dbraw/zinc/39/35/22/187393522.db2.gz SJTPTDKPMWFITJ-UHFFFAOYSA-N 1 2 296.392 1.304 20 30 CDEDLO CCS(=O)(=O)CC[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000128839060 187393520 /nfs/dbraw/zinc/39/35/20/187393520.db2.gz SJTPTDKPMWFITJ-UHFFFAOYSA-N 1 2 296.392 1.304 20 30 CDEDLO CCN1CC[N@H+](CCCOc2cccc(C#N)c2)CC1=O ZINC000273431480 192147403 /nfs/dbraw/zinc/14/74/03/192147403.db2.gz LPMDQWBVHYBBOI-UHFFFAOYSA-N 1 2 287.363 1.491 20 30 CDEDLO CCN1CC[N@@H+](CCCOc2cccc(C#N)c2)CC1=O ZINC000273431480 192147405 /nfs/dbraw/zinc/14/74/05/192147405.db2.gz LPMDQWBVHYBBOI-UHFFFAOYSA-N 1 2 287.363 1.491 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000020464018 348532976 /nfs/dbraw/zinc/53/29/76/348532976.db2.gz RZWZHAZIWBKCBS-UHFFFAOYSA-N 1 2 275.308 1.539 20 30 CDEDLO C#CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000029325144 348670528 /nfs/dbraw/zinc/67/05/28/348670528.db2.gz YNYVHDPIOVADMT-CYBMUJFWSA-N 1 2 286.310 1.581 20 30 CDEDLO C[C@@H](C#N)CN(C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000046286720 348789350 /nfs/dbraw/zinc/78/93/50/348789350.db2.gz WUUWHRJDFJLPDG-NSHDSACASA-N 1 2 275.356 1.449 20 30 CDEDLO CCn1cc(C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N)cn1 ZINC000072982874 349143658 /nfs/dbraw/zinc/14/36/58/349143658.db2.gz WYAQWGDQSPXUAS-LBPRGKRZSA-N 1 2 277.372 1.095 20 30 CDEDLO CCn1cc(C[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N)cn1 ZINC000072982874 349143660 /nfs/dbraw/zinc/14/36/60/349143660.db2.gz WYAQWGDQSPXUAS-LBPRGKRZSA-N 1 2 277.372 1.095 20 30 CDEDLO N#CCC1(O)C[NH+](Cc2cccc3cccnc32)C1 ZINC000616007430 349238069 /nfs/dbraw/zinc/23/80/69/349238069.db2.gz WIVRZTJZGQKZLN-UHFFFAOYSA-N 1 2 253.305 1.695 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)n1 ZINC000602474646 350113528 /nfs/dbraw/zinc/11/35/28/350113528.db2.gz MGAGLIAPLFHPBB-NEPJUHHUSA-N 1 2 285.269 1.841 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)n1 ZINC000602474646 350113532 /nfs/dbraw/zinc/11/35/32/350113532.db2.gz MGAGLIAPLFHPBB-NEPJUHHUSA-N 1 2 285.269 1.841 20 30 CDEDLO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2C#N)[C@H](C)C(=O)N1C ZINC000602849081 350154804 /nfs/dbraw/zinc/15/48/04/350154804.db2.gz PHPQCRGDGSNREV-JHJVBQTASA-N 1 2 271.364 1.998 20 30 CDEDLO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2C#N)[C@H](C)C(=O)N1C ZINC000602849081 350154809 /nfs/dbraw/zinc/15/48/09/350154809.db2.gz PHPQCRGDGSNREV-JHJVBQTASA-N 1 2 271.364 1.998 20 30 CDEDLO CC[C@@H]1C(=O)NCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000106361333 186109367 /nfs/dbraw/zinc/10/93/67/186109367.db2.gz PBGIIRFGQVVULF-CQSZACIVSA-N 1 2 273.336 1.147 20 30 CDEDLO CC[C@@H]1C(=O)NCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000106361333 186109369 /nfs/dbraw/zinc/10/93/69/186109369.db2.gz PBGIIRFGQVVULF-CQSZACIVSA-N 1 2 273.336 1.147 20 30 CDEDLO C[C@@H](O)C1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000111289102 186390947 /nfs/dbraw/zinc/39/09/47/186390947.db2.gz JPCIQUDCENITMI-SNVBAGLBSA-N 1 2 293.392 1.651 20 30 CDEDLO CC1(C)CCCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C#N ZINC000281452098 351471164 /nfs/dbraw/zinc/47/11/64/351471164.db2.gz CMLSNYOWZUJSOZ-LBPRGKRZSA-N 1 2 260.341 1.883 20 30 CDEDLO CC1(C)CCCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C#N ZINC000281452098 351471168 /nfs/dbraw/zinc/47/11/68/351471168.db2.gz CMLSNYOWZUJSOZ-LBPRGKRZSA-N 1 2 260.341 1.883 20 30 CDEDLO COC(=O)C1(O)CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000271468845 191155735 /nfs/dbraw/zinc/15/57/35/191155735.db2.gz UJJWFURBWDXQJZ-UHFFFAOYSA-N 1 2 292.310 1.197 20 30 CDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccon3)C2)nc1 ZINC000292127163 198174294 /nfs/dbraw/zinc/17/42/94/198174294.db2.gz IMBJTRZFMYCZOH-CYBMUJFWSA-N 1 2 270.292 1.595 20 30 CDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccon3)C2)nc1 ZINC000292127163 198174296 /nfs/dbraw/zinc/17/42/96/198174296.db2.gz IMBJTRZFMYCZOH-CYBMUJFWSA-N 1 2 270.292 1.595 20 30 CDEDLO C[C@@H](c1nncn1C)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292261977 198221587 /nfs/dbraw/zinc/22/15/87/198221587.db2.gz RNSOFZMVMSQTPL-WCQYABFASA-N 1 2 298.350 1.296 20 30 CDEDLO C[C@@H](c1nncn1C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292261977 198221588 /nfs/dbraw/zinc/22/15/88/198221588.db2.gz RNSOFZMVMSQTPL-WCQYABFASA-N 1 2 298.350 1.296 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2c(C)nsc2C)CC1 ZINC000292267608 198224232 /nfs/dbraw/zinc/22/42/32/198224232.db2.gz NOWZFQWEHUKYGS-UHFFFAOYSA-N 1 2 277.393 1.541 20 30 CDEDLO C=C(C)COCCNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000355471053 366102766 /nfs/dbraw/zinc/10/27/66/366102766.db2.gz WEXHLJOKAVOXGS-UHFFFAOYSA-N 1 2 291.351 1.346 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000355499528 366106581 /nfs/dbraw/zinc/10/65/81/366106581.db2.gz LTBZPPQPVMRVFD-OAHLLOKOSA-N 1 2 281.400 1.495 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000355499528 366106585 /nfs/dbraw/zinc/10/65/85/366106585.db2.gz LTBZPPQPVMRVFD-OAHLLOKOSA-N 1 2 281.400 1.495 20 30 CDEDLO O=C(C=Cc1c[nH]c[nH+]1)NCC#Cc1ccccc1 ZINC000492809522 366182249 /nfs/dbraw/zinc/18/22/49/366182249.db2.gz GCPPRUSWMKEZMI-HJWRWDBZSA-N 1 2 251.289 1.591 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1F ZINC000065605027 363394538 /nfs/dbraw/zinc/39/45/38/363394538.db2.gz GQTLOHBDPNTEQE-LLVKDONJSA-N 1 2 250.317 1.948 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1F ZINC000065605027 363394543 /nfs/dbraw/zinc/39/45/43/363394543.db2.gz GQTLOHBDPNTEQE-LLVKDONJSA-N 1 2 250.317 1.948 20 30 CDEDLO N#Cc1c(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cn2ccccc12 ZINC000329032973 283072993 /nfs/dbraw/zinc/07/29/93/283072993.db2.gz LWPNWBOMUUQOSD-CQSZACIVSA-N 1 2 294.358 1.618 20 30 CDEDLO N#Cc1c(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)cn2ccccc12 ZINC000329032973 283073000 /nfs/dbraw/zinc/07/30/00/283073000.db2.gz LWPNWBOMUUQOSD-CQSZACIVSA-N 1 2 294.358 1.618 20 30 CDEDLO N#CCC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000332642136 356046755 /nfs/dbraw/zinc/04/67/55/356046755.db2.gz AZCZQHMIIDYMII-QWRGUYRKSA-N 1 2 281.356 1.690 20 30 CDEDLO N#CCC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000332642136 356046760 /nfs/dbraw/zinc/04/67/60/356046760.db2.gz AZCZQHMIIDYMII-QWRGUYRKSA-N 1 2 281.356 1.690 20 30 CDEDLO CCN1CCN(Cc2c[nH+]c3ccc(C#N)cn23)[C@@H](C)C1=O ZINC000342770152 356179950 /nfs/dbraw/zinc/17/99/50/356179950.db2.gz WDUDDPFYIKMVGI-LBPRGKRZSA-N 1 2 297.362 1.259 20 30 CDEDLO CCN1CC[N@H+](CCOc2ccc(C#N)cc2)CC1=O ZINC000273546200 192196864 /nfs/dbraw/zinc/19/68/64/192196864.db2.gz UOPMBQDQZGAWBI-UHFFFAOYSA-N 1 2 273.336 1.101 20 30 CDEDLO CCN1CC[N@@H+](CCOc2ccc(C#N)cc2)CC1=O ZINC000273546200 192196865 /nfs/dbraw/zinc/19/68/65/192196865.db2.gz UOPMBQDQZGAWBI-UHFFFAOYSA-N 1 2 273.336 1.101 20 30 CDEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NC1CC1 ZINC000298636711 356905654 /nfs/dbraw/zinc/90/56/54/356905654.db2.gz WJLJHSRLHFSQFG-CYBMUJFWSA-N 1 2 256.349 1.789 20 30 CDEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NC1CC1 ZINC000298636711 356905657 /nfs/dbraw/zinc/90/56/57/356905657.db2.gz WJLJHSRLHFSQFG-CYBMUJFWSA-N 1 2 256.349 1.789 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NCc1ccccc1 ZINC000299418340 357055974 /nfs/dbraw/zinc/05/59/74/357055974.db2.gz WPUUWXUCFJUZSX-CQSZACIVSA-N 1 2 254.333 1.260 20 30 CDEDLO CCCc1nc(C)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)o1 ZINC000564803659 357001149 /nfs/dbraw/zinc/00/11/49/357001149.db2.gz QRCXMNJHOISCFA-CQSZACIVSA-N 1 2 278.356 1.509 20 30 CDEDLO COCCOCCO[NH+]=C(N)COc1ccccc1 ZINC000179638205 357217088 /nfs/dbraw/zinc/21/70/88/357217088.db2.gz WVAUSATZEIEUAG-UHFFFAOYSA-N 1 2 268.313 1.017 20 30 CDEDLO C=CCNC(=O)NC(=O)C[NH+]1Cc2ccccc2C1 ZINC000106305003 357236403 /nfs/dbraw/zinc/23/64/03/357236403.db2.gz BEZZBQRRHAOWOB-UHFFFAOYSA-N 1 2 259.309 1.014 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)cc1C#N ZINC000282311825 357313308 /nfs/dbraw/zinc/31/33/08/357313308.db2.gz TWOITGFYGQWJJP-ZDUSSCGKSA-N 1 2 294.376 1.186 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)cc1C#N ZINC000282311825 357313313 /nfs/dbraw/zinc/31/33/13/357313313.db2.gz TWOITGFYGQWJJP-ZDUSSCGKSA-N 1 2 294.376 1.186 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCC[C@](F)(CO)C2)c1F ZINC000334307344 357564443 /nfs/dbraw/zinc/56/44/43/357564443.db2.gz DIFDMMNVKUUXHN-CQSZACIVSA-N 1 2 266.291 1.994 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@](F)(CO)C2)c1F ZINC000334307344 357564446 /nfs/dbraw/zinc/56/44/46/357564446.db2.gz DIFDMMNVKUUXHN-CQSZACIVSA-N 1 2 266.291 1.994 20 30 CDEDLO COC(=O)[C@]1(C)CCC[N@@H+]1CCOc1ccccc1C#N ZINC000186401881 357646195 /nfs/dbraw/zinc/64/61/95/357646195.db2.gz VSWVDDZHVLCUFY-INIZCTEOSA-N 1 2 288.347 1.965 20 30 CDEDLO COC(=O)[C@]1(C)CCC[N@H+]1CCOc1ccccc1C#N ZINC000186401881 357646200 /nfs/dbraw/zinc/64/62/00/357646200.db2.gz VSWVDDZHVLCUFY-INIZCTEOSA-N 1 2 288.347 1.965 20 30 CDEDLO NC(CCO)=[NH+]OCc1nc(C(F)(F)F)cs1 ZINC000186789041 357691098 /nfs/dbraw/zinc/69/10/98/357691098.db2.gz CKIIRABMPDVGFG-UHFFFAOYSA-N 1 2 269.248 1.333 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(NC(N)=O)CC1 ZINC000187138680 357731762 /nfs/dbraw/zinc/73/17/62/357731762.db2.gz RLXSYXSHCIKUBR-UHFFFAOYSA-N 1 2 292.770 1.844 20 30 CDEDLO COCC#CC[N@H+](C)Cc1nc2ccccc2n1C ZINC000677818585 482793254 /nfs/dbraw/zinc/79/32/54/482793254.db2.gz CQIVKJXDTOYHGM-UHFFFAOYSA-N 1 2 257.337 1.655 20 30 CDEDLO CCN1CCC[N@H+](Cc2cccc(C#N)c2)CC1=O ZINC000190171557 358057780 /nfs/dbraw/zinc/05/77/80/358057780.db2.gz DFUKDLOQIFYEJJ-UHFFFAOYSA-N 1 2 257.337 1.612 20 30 CDEDLO CCN1CCC[N@@H+](Cc2cccc(C#N)c2)CC1=O ZINC000190171557 358057784 /nfs/dbraw/zinc/05/77/84/358057784.db2.gz DFUKDLOQIFYEJJ-UHFFFAOYSA-N 1 2 257.337 1.612 20 30 CDEDLO COCC#CC[N@@H+](C)Cc1nc2ccccc2n1C ZINC000677818585 482793261 /nfs/dbraw/zinc/79/32/61/482793261.db2.gz CQIVKJXDTOYHGM-UHFFFAOYSA-N 1 2 257.337 1.655 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191361294 358128638 /nfs/dbraw/zinc/12/86/38/358128638.db2.gz KCXSXDZOLSGWAL-NSHDSACASA-N 1 2 295.408 1.294 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191361294 358128641 /nfs/dbraw/zinc/12/86/41/358128641.db2.gz KCXSXDZOLSGWAL-NSHDSACASA-N 1 2 295.408 1.294 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+](C)Cc1cnn(C)c1 ZINC000130423637 358306338 /nfs/dbraw/zinc/30/63/38/358306338.db2.gz HOEKAMBURXZGRD-UHFFFAOYSA-N 1 2 270.336 1.932 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+](C)Cc1cnn(C)c1 ZINC000130423637 358306342 /nfs/dbraw/zinc/30/63/42/358306342.db2.gz HOEKAMBURXZGRD-UHFFFAOYSA-N 1 2 270.336 1.932 20 30 CDEDLO N#Cc1ccccc1OCC[N@@H+]1CCOC[C@]12CCOC2 ZINC000193675272 358315134 /nfs/dbraw/zinc/31/51/34/358315134.db2.gz YYHQHMVVNWVSTR-MRXNPFEDSA-N 1 2 288.347 1.428 20 30 CDEDLO N#Cc1ccccc1OCC[N@H+]1CCOC[C@]12CCOC2 ZINC000193675272 358315137 /nfs/dbraw/zinc/31/51/37/358315137.db2.gz YYHQHMVVNWVSTR-MRXNPFEDSA-N 1 2 288.347 1.428 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1c(F)cccc1F ZINC000493818434 366495135 /nfs/dbraw/zinc/49/51/35/366495135.db2.gz IWDIYCAUEIYVDX-MVGZEHJDSA-N 1 2 293.317 1.938 20 30 CDEDLO O=C1OCC[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CCN12 ZINC000494085769 366501130 /nfs/dbraw/zinc/50/11/30/366501130.db2.gz LZUQPGXHYBSHBA-OAHLLOKOSA-N 1 2 288.322 1.704 20 30 CDEDLO O=C1OCC[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)CCN12 ZINC000494085769 366501134 /nfs/dbraw/zinc/50/11/34/366501134.db2.gz LZUQPGXHYBSHBA-OAHLLOKOSA-N 1 2 288.322 1.704 20 30 CDEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H]2CC[C@@H](C)C2)c1C#N ZINC000540657721 359081061 /nfs/dbraw/zinc/08/10/61/359081061.db2.gz KITIHNDUNPBUCX-MNOVXSKESA-N 1 2 289.383 1.230 20 30 CDEDLO COc1cc(C[N@@H+]2CC[C@](F)(CO)C2)ccc1C#N ZINC000338995358 359262609 /nfs/dbraw/zinc/26/26/09/359262609.db2.gz GLHNRGUEXWCLML-CQSZACIVSA-N 1 2 264.300 1.473 20 30 CDEDLO COc1cc(C[N@H+]2CC[C@](F)(CO)C2)ccc1C#N ZINC000338995358 359262613 /nfs/dbraw/zinc/26/26/13/359262613.db2.gz GLHNRGUEXWCLML-CQSZACIVSA-N 1 2 264.300 1.473 20 30 CDEDLO C=CCCOCCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000270113462 359390836 /nfs/dbraw/zinc/39/08/36/359390836.db2.gz HEXCSGUNENUYCO-GFCCVEGCSA-N 1 2 266.345 1.164 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000339474180 359405607 /nfs/dbraw/zinc/40/56/07/359405607.db2.gz VLWQYQISWUTQAU-JTQLQIEISA-N 1 2 269.308 1.250 20 30 CDEDLO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CC1(C#N)CC1 ZINC000495684487 366534521 /nfs/dbraw/zinc/53/45/21/366534521.db2.gz BONXEAIVIOIUGY-GFCCVEGCSA-N 1 2 265.357 1.843 20 30 CDEDLO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC1(C#N)CC1 ZINC000495684487 366534525 /nfs/dbraw/zinc/53/45/25/366534525.db2.gz BONXEAIVIOIUGY-GFCCVEGCSA-N 1 2 265.357 1.843 20 30 CDEDLO C#CC[N@@H+](CC(=O)N[C@H](C)c1ccccc1)C1CC1 ZINC000274251215 359495063 /nfs/dbraw/zinc/49/50/63/359495063.db2.gz ZTZQARYJNMFEJR-CYBMUJFWSA-N 1 2 256.349 1.961 20 30 CDEDLO C#CC[N@H+](CC(=O)N[C@H](C)c1ccccc1)C1CC1 ZINC000274251215 359495067 /nfs/dbraw/zinc/49/50/67/359495067.db2.gz ZTZQARYJNMFEJR-CYBMUJFWSA-N 1 2 256.349 1.961 20 30 CDEDLO C#CC[N@@H+](CC(=O)N[C@@H](C)c1ccccc1OC)C1CC1 ZINC000274113049 359491283 /nfs/dbraw/zinc/49/12/83/359491283.db2.gz FUAPXFPBGVGPFK-ZDUSSCGKSA-N 1 2 286.375 1.970 20 30 CDEDLO C#CC[N@H+](CC(=O)N[C@@H](C)c1ccccc1OC)C1CC1 ZINC000274113049 359491284 /nfs/dbraw/zinc/49/12/84/359491284.db2.gz FUAPXFPBGVGPFK-ZDUSSCGKSA-N 1 2 286.375 1.970 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1C(=O)OCC ZINC000050064736 359566624 /nfs/dbraw/zinc/56/66/24/359566624.db2.gz UZFMNKNUSVKNHB-CYBMUJFWSA-N 1 2 282.384 1.439 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]1C(=O)OCC ZINC000050064736 359566631 /nfs/dbraw/zinc/56/66/31/359566631.db2.gz UZFMNKNUSVKNHB-CYBMUJFWSA-N 1 2 282.384 1.439 20 30 CDEDLO CC#CC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000277273114 359558619 /nfs/dbraw/zinc/55/86/19/359558619.db2.gz BQBPIZUFIDVFHW-OAHLLOKOSA-N 1 2 272.348 1.199 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+](CC)C[C@@H](O)C(F)(F)F ZINC000275041879 359527950 /nfs/dbraw/zinc/52/79/50/359527950.db2.gz HJUAMVWJCMDDJF-LLVKDONJSA-N 1 2 294.317 1.432 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+](CC)C[C@@H](O)C(F)(F)F ZINC000275041879 359527953 /nfs/dbraw/zinc/52/79/53/359527953.db2.gz HJUAMVWJCMDDJF-LLVKDONJSA-N 1 2 294.317 1.432 20 30 CDEDLO C#CCSCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000277905417 359576026 /nfs/dbraw/zinc/57/60/26/359576026.db2.gz UQCLZQIFFMSZNZ-UHFFFAOYSA-N 1 2 262.382 1.855 20 30 CDEDLO C#CCSCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000277905417 359576034 /nfs/dbraw/zinc/57/60/34/359576034.db2.gz UQCLZQIFFMSZNZ-UHFFFAOYSA-N 1 2 262.382 1.855 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C#Cc1ccccc1 ZINC000279389809 359584566 /nfs/dbraw/zinc/58/45/66/359584566.db2.gz VDDHFYLXAWIIDT-OAHLLOKOSA-N 1 2 286.375 1.217 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(C)no1 ZINC000348092821 359828342 /nfs/dbraw/zinc/82/83/42/359828342.db2.gz BIAHFOSPHJEBTJ-WDEREUQCSA-N 1 2 278.356 1.618 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091892483 360255025 /nfs/dbraw/zinc/25/50/25/360255025.db2.gz XBQAAKIFGZQZHX-UHFFFAOYSA-N 1 2 291.326 1.196 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCc2cc(F)ccc2C1 ZINC000091892483 360255028 /nfs/dbraw/zinc/25/50/28/360255028.db2.gz XBQAAKIFGZQZHX-UHFFFAOYSA-N 1 2 291.326 1.196 20 30 CDEDLO N#CC1(C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)CCC1 ZINC000514840452 360235658 /nfs/dbraw/zinc/23/56/58/360235658.db2.gz JDMPGRDNJSRYGG-MGPQQGTHSA-N 1 2 264.369 1.542 20 30 CDEDLO N#CC1(C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)CCC1 ZINC000514840452 360235660 /nfs/dbraw/zinc/23/56/60/360235660.db2.gz JDMPGRDNJSRYGG-MGPQQGTHSA-N 1 2 264.369 1.542 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](CCOC)CC1 ZINC000424658459 360332467 /nfs/dbraw/zinc/33/24/67/360332467.db2.gz PYBSDDBXERHEQM-UHFFFAOYSA-N 1 2 254.374 1.379 20 30 CDEDLO N#CC1(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)CC1 ZINC000537247429 360319461 /nfs/dbraw/zinc/31/94/61/360319461.db2.gz CKEZLRSCHXJWHR-JTQLQIEISA-N 1 2 262.275 1.925 20 30 CDEDLO Cn1cc(N2CC[NH+](CC#Cc3ccc(F)cc3)CC2)cn1 ZINC000154203048 360321661 /nfs/dbraw/zinc/32/16/61/360321661.db2.gz CVPLAKRNYOOAKP-UHFFFAOYSA-N 1 2 298.365 1.733 20 30 CDEDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC000130431874 360395349 /nfs/dbraw/zinc/39/53/49/360395349.db2.gz RXVNRZUSGUORJP-ZDUSSCGKSA-N 1 2 273.336 1.277 20 30 CDEDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1OC ZINC000130431874 360395351 /nfs/dbraw/zinc/39/53/51/360395351.db2.gz RXVNRZUSGUORJP-ZDUSSCGKSA-N 1 2 273.336 1.277 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)c1cc(C#N)cs1)[NH+]1CCOCC1 ZINC000177465997 189053310 /nfs/dbraw/zinc/05/33/10/189053310.db2.gz RAJIZJNIDTVIPK-WDEREUQCSA-N 1 2 293.392 1.459 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(Cl)ccn2)CC1 ZINC000299294037 200666904 /nfs/dbraw/zinc/66/69/04/200666904.db2.gz BXYVGECDFKVBIW-UHFFFAOYSA-N 1 2 277.755 1.516 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)C(C)C)C1 ZINC001660844901 1172287966 /nfs/dbraw/zinc/28/79/66/1172287966.db2.gz PDDISSXECOINQT-ZIAGYGMSSA-N 1 2 295.427 1.161 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C(C)C)C1 ZINC001660844901 1172287972 /nfs/dbraw/zinc/28/79/72/1172287972.db2.gz PDDISSXECOINQT-ZIAGYGMSSA-N 1 2 295.427 1.161 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000157625571 360929897 /nfs/dbraw/zinc/92/98/97/360929897.db2.gz SGAOWRDIMXCBFF-QWRGUYRKSA-N 1 2 268.361 1.091 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000157625571 360929901 /nfs/dbraw/zinc/92/99/01/360929901.db2.gz SGAOWRDIMXCBFF-QWRGUYRKSA-N 1 2 268.361 1.091 20 30 CDEDLO N#CC1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCCC1 ZINC000366070516 360933981 /nfs/dbraw/zinc/93/39/81/360933981.db2.gz CBDJVAOWAJBSAB-ZDUSSCGKSA-N 1 2 277.368 1.003 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000431947105 361074271 /nfs/dbraw/zinc/07/42/71/361074271.db2.gz WICGOLRNOXYNIJ-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000431947105 361074278 /nfs/dbraw/zinc/07/42/78/361074278.db2.gz WICGOLRNOXYNIJ-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000367173839 361198954 /nfs/dbraw/zinc/19/89/54/361198954.db2.gz NIVRVVJMLGGPPE-LBPRGKRZSA-N 1 2 289.335 1.006 20 30 CDEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+](C)CC(C)(C)C#N)C1 ZINC000433295876 361228613 /nfs/dbraw/zinc/22/86/13/361228613.db2.gz QMYSVZPHLNMNOQ-BETUJISGSA-N 1 2 265.401 1.972 20 30 CDEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+](C)CC(C)(C)C#N)C1 ZINC000433295876 361228618 /nfs/dbraw/zinc/22/86/18/361228618.db2.gz QMYSVZPHLNMNOQ-BETUJISGSA-N 1 2 265.401 1.972 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000248164683 361284580 /nfs/dbraw/zinc/28/45/80/361284580.db2.gz SSLXTUQSBYQNGD-JHJVBQTASA-N 1 2 267.373 1.104 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000248164683 361284589 /nfs/dbraw/zinc/28/45/89/361284589.db2.gz SSLXTUQSBYQNGD-JHJVBQTASA-N 1 2 267.373 1.104 20 30 CDEDLO N#CCC1CC[NH+](Cc2nnnn2C2CCOCC2)CC1 ZINC000562415058 361420931 /nfs/dbraw/zinc/42/09/31/361420931.db2.gz GYLCOUIZQHOKOM-UHFFFAOYSA-N 1 2 290.371 1.150 20 30 CDEDLO [O-]C(=[NH+]CC1(C(F)F)CC1)N1CCn2c[nH+]cc2C1 ZINC000329676083 361702874 /nfs/dbraw/zinc/70/28/74/361702874.db2.gz UPJRWPYPSACEHQ-UHFFFAOYSA-N 1 2 270.283 1.658 20 30 CDEDLO Cn1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)cn1 ZINC000101554227 363935768 /nfs/dbraw/zinc/93/57/68/363935768.db2.gz QDMDAKIPJRQKKK-UHFFFAOYSA-N 1 2 281.363 1.614 20 30 CDEDLO Cc1cc(N2C[C@H](C)S(=O)[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000580555912 363923278 /nfs/dbraw/zinc/92/32/78/363923278.db2.gz KOAPAPSGEUNQJA-QWRGUYRKSA-N 1 2 263.366 1.607 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCSCC1 ZINC000103467426 363927586 /nfs/dbraw/zinc/92/75/86/363927586.db2.gz CQUURRFDRZQSHJ-NSHDSACASA-N 1 2 255.387 1.043 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2ccc(O)cc2C1 ZINC000532730021 364002250 /nfs/dbraw/zinc/00/22/50/364002250.db2.gz UKRSEIVTQIBKTA-UHFFFAOYSA-N 1 2 286.375 1.951 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000532730021 364002258 /nfs/dbraw/zinc/00/22/58/364002258.db2.gz UKRSEIVTQIBKTA-UHFFFAOYSA-N 1 2 286.375 1.951 20 30 CDEDLO N#Cc1cncnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000581247568 363974377 /nfs/dbraw/zinc/97/43/77/363974377.db2.gz GNKDAWMLTDNWPL-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO CC1(C)C[C@@]1(C#N)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000570901835 364100167 /nfs/dbraw/zinc/10/01/67/364100167.db2.gz UBWNLAPHTQZKPH-XPTSAGLGSA-N 1 2 258.325 1.638 20 30 CDEDLO CC1(C)C[C@@]1(C#N)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000570901835 364100171 /nfs/dbraw/zinc/10/01/71/364100171.db2.gz UBWNLAPHTQZKPH-XPTSAGLGSA-N 1 2 258.325 1.638 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCSC[C@@H]1C ZINC000172592705 260678197 /nfs/dbraw/zinc/67/81/97/260678197.db2.gz AOODPOHBJZSLEJ-AAEUAGOBSA-N 1 2 269.414 1.478 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCSC[C@@H]1C ZINC000172592705 260678199 /nfs/dbraw/zinc/67/81/99/260678199.db2.gz AOODPOHBJZSLEJ-AAEUAGOBSA-N 1 2 269.414 1.478 20 30 CDEDLO C[C@]1(C(N)=O)CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330002461 291347486 /nfs/dbraw/zinc/34/74/86/291347486.db2.gz YUOKVFDOJHAMGM-HZMBPMFUSA-N 1 2 291.355 1.359 20 30 CDEDLO C=CC[C@@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000353799571 365377894 /nfs/dbraw/zinc/37/78/94/365377894.db2.gz PQXQALXYDHWZMH-TZMCWYRMSA-N 1 2 266.385 1.711 20 30 CDEDLO C=CC[C@@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000353799571 365377900 /nfs/dbraw/zinc/37/79/00/365377900.db2.gz PQXQALXYDHWZMH-TZMCWYRMSA-N 1 2 266.385 1.711 20 30 CDEDLO CC[C@@H]1C[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C[C@H]1O ZINC000270906121 366942771 /nfs/dbraw/zinc/94/27/71/366942771.db2.gz NHHDNMUGPSULKA-BPLDGKMQSA-N 1 2 288.347 1.475 20 30 CDEDLO CC[C@@H]1C[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C[C@H]1O ZINC000270906121 366942778 /nfs/dbraw/zinc/94/27/78/366942778.db2.gz NHHDNMUGPSULKA-BPLDGKMQSA-N 1 2 288.347 1.475 20 30 CDEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccoc3C)CC2)c1C#N ZINC000414438290 241200747 /nfs/dbraw/zinc/20/07/47/241200747.db2.gz RCZMSAJFIWZRTK-UHFFFAOYSA-N 1 2 299.378 1.824 20 30 CDEDLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000126086581 368282866 /nfs/dbraw/zinc/28/28/66/368282866.db2.gz KRGVYURGURYFSR-BIBXISHDSA-N 1 2 293.392 1.196 20 30 CDEDLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000126086581 368282872 /nfs/dbraw/zinc/28/28/72/368282872.db2.gz KRGVYURGURYFSR-BIBXISHDSA-N 1 2 293.392 1.196 20 30 CDEDLO C=CCCn1cc(C[N@@H+](C[C@@H](C)O)C2CC2)nn1 ZINC000653904690 412770627 /nfs/dbraw/zinc/77/06/27/412770627.db2.gz ZWSLYJACOIQIKL-LLVKDONJSA-N 1 2 250.346 1.199 20 30 CDEDLO C=CCCn1cc(C[N@H+](C[C@@H](C)O)C2CC2)nn1 ZINC000653904690 412770629 /nfs/dbraw/zinc/77/06/29/412770629.db2.gz ZWSLYJACOIQIKL-LLVKDONJSA-N 1 2 250.346 1.199 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCCc1ccccc1OC ZINC000567176440 370903363 /nfs/dbraw/zinc/90/33/63/370903363.db2.gz FHZMUHMYYLXARH-CQSZACIVSA-N 1 2 289.379 1.636 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000375685667 370908593 /nfs/dbraw/zinc/90/85/93/370908593.db2.gz SZSGKUFFGXDJCL-TZMCWYRMSA-N 1 2 260.341 1.986 20 30 CDEDLO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1nnnn1C ZINC000276218735 193246896 /nfs/dbraw/zinc/24/68/96/193246896.db2.gz KYTOXUHSFLRSHH-NXEZZACHSA-N 1 2 256.313 1.494 20 30 CDEDLO N#CCCCC(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000568529534 371226641 /nfs/dbraw/zinc/22/66/41/371226641.db2.gz GRZVDPHVEXDXBU-UHFFFAOYSA-N 1 2 273.327 1.774 20 30 CDEDLO C[C@@H](C(=O)NCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000359986907 371432745 /nfs/dbraw/zinc/43/27/45/371432745.db2.gz UAWGKQCBARBNKC-GFCCVEGCSA-N 1 2 268.320 1.675 20 30 CDEDLO CCc1nn(C)c(OC)c1C[NH2+]C[C@@H](C#N)CCC#N ZINC000573975610 371690920 /nfs/dbraw/zinc/69/09/20/371690920.db2.gz COXRUTIPDNEVAK-LLVKDONJSA-N 1 2 275.356 1.524 20 30 CDEDLO Cc1cccc2c1O[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C2 ZINC000579243577 372555878 /nfs/dbraw/zinc/55/58/78/372555878.db2.gz COACYUORZKKWHK-CJNGLKHVSA-N 1 2 287.363 1.259 20 30 CDEDLO N#CCCC1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000579708387 372636729 /nfs/dbraw/zinc/63/67/29/372636729.db2.gz XVHLVNYAHZZUPW-UHFFFAOYSA-N 1 2 275.356 1.608 20 30 CDEDLO CC(=O)c1ccc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000580717710 372669401 /nfs/dbraw/zinc/66/94/01/372669401.db2.gz HXUZJKSLXJUUPI-INIZCTEOSA-N 1 2 287.363 1.392 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@]23CCOC3=O)cc1F ZINC000192206191 373603336 /nfs/dbraw/zinc/60/33/36/373603336.db2.gz RIOSVIPIVGLWIK-OAHLLOKOSA-N 1 2 274.295 1.979 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@]23CCOC3=O)cc1F ZINC000192206191 373603346 /nfs/dbraw/zinc/60/33/46/373603346.db2.gz RIOSVIPIVGLWIK-OAHLLOKOSA-N 1 2 274.295 1.979 20 30 CDEDLO N#CCCCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000193161000 373682922 /nfs/dbraw/zinc/68/29/22/373682922.db2.gz KWRUXDOUUORLQS-AWEZNQCLSA-N 1 2 279.384 1.440 20 30 CDEDLO N#CCCCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000193161000 373682929 /nfs/dbraw/zinc/68/29/29/373682929.db2.gz KWRUXDOUUORLQS-AWEZNQCLSA-N 1 2 279.384 1.440 20 30 CDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000299353834 373902927 /nfs/dbraw/zinc/90/29/27/373902927.db2.gz CSCDYIQZBRURFT-HZPDHXFCSA-N 1 2 299.374 1.428 20 30 CDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000299353834 373902933 /nfs/dbraw/zinc/90/29/33/373902933.db2.gz CSCDYIQZBRURFT-HZPDHXFCSA-N 1 2 299.374 1.428 20 30 CDEDLO COC(=O)[C@H]1CC[N@H+](Cc2nc(C#N)cs2)C[C@@H]1C ZINC000356423315 373846566 /nfs/dbraw/zinc/84/65/66/373846566.db2.gz KTWBSPNZKNFEOD-ONGXEEELSA-N 1 2 279.365 1.646 20 30 CDEDLO COC(=O)[C@H]1CC[N@@H+](Cc2nc(C#N)cs2)C[C@@H]1C ZINC000356423315 373846572 /nfs/dbraw/zinc/84/65/72/373846572.db2.gz KTWBSPNZKNFEOD-ONGXEEELSA-N 1 2 279.365 1.646 20 30 CDEDLO N#Cc1ccc([C@H]([NH2+]Cc2cccnc2)C(N)=O)cc1 ZINC000360072596 373997948 /nfs/dbraw/zinc/99/79/48/373997948.db2.gz AZBXHNMNSFDCRQ-AWEZNQCLSA-N 1 2 266.304 1.269 20 30 CDEDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cccnc1 ZINC000361089320 374034632 /nfs/dbraw/zinc/03/46/32/374034632.db2.gz VDOSTYSZZGTNEP-XHDPSFHLSA-N 1 2 280.331 1.830 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2C[C@H](C)[C@H](O)C2)c(C#N)c1C ZINC000351794679 374274420 /nfs/dbraw/zinc/27/44/20/374274420.db2.gz FMXNVQCVIJZGIK-QPUJVOFHSA-N 1 2 277.324 1.019 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@H](C)[C@H](O)C2)c(C#N)c1C ZINC000351794679 374274431 /nfs/dbraw/zinc/27/44/31/374274431.db2.gz FMXNVQCVIJZGIK-QPUJVOFHSA-N 1 2 277.324 1.019 20 30 CDEDLO N#Cc1ccc(CCC(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000114338243 374304563 /nfs/dbraw/zinc/30/45/63/374304563.db2.gz BTRGGJZPICIECP-UHFFFAOYSA-N 1 2 254.293 1.530 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCc2c[nH]nc2C1 ZINC000611008876 374377914 /nfs/dbraw/zinc/37/79/14/374377914.db2.gz MREJKRWWILEFKF-UHFFFAOYSA-N 1 2 298.346 1.727 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCc2c[nH]nc2C1 ZINC000611008876 374377917 /nfs/dbraw/zinc/37/79/17/374377917.db2.gz MREJKRWWILEFKF-UHFFFAOYSA-N 1 2 298.346 1.727 20 30 CDEDLO CC#CCC[N@@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000640161841 374668721 /nfs/dbraw/zinc/66/87/21/374668721.db2.gz XEPFWIULZPOXGZ-UHFFFAOYSA-N 1 2 278.377 1.106 20 30 CDEDLO CC#CCC[N@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000640161841 374668724 /nfs/dbraw/zinc/66/87/24/374668724.db2.gz XEPFWIULZPOXGZ-UHFFFAOYSA-N 1 2 278.377 1.106 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(C#N)s1)CCO2 ZINC000279646712 374941792 /nfs/dbraw/zinc/94/17/92/374941792.db2.gz JWZNPUOVHUPHTK-FZMZJTMJSA-N 1 2 278.377 2.000 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(C#N)s1)CCO2 ZINC000279646712 374941796 /nfs/dbraw/zinc/94/17/96/374941796.db2.gz JWZNPUOVHUPHTK-FZMZJTMJSA-N 1 2 278.377 2.000 20 30 CDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCn2cc[nH+]c2C1 ZINC000332577999 375037800 /nfs/dbraw/zinc/03/78/00/375037800.db2.gz GRZCHXFNJNPRJZ-LBPRGKRZSA-N 1 2 296.330 1.564 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)C[C@@H](C)O1 ZINC000282460303 375086189 /nfs/dbraw/zinc/08/61/89/375086189.db2.gz VNKIMRZDSBAUNJ-IUODEOHRSA-N 1 2 290.363 1.803 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)C[C@@H](C)O1 ZINC000282460303 375086194 /nfs/dbraw/zinc/08/61/94/375086194.db2.gz VNKIMRZDSBAUNJ-IUODEOHRSA-N 1 2 290.363 1.803 20 30 CDEDLO COCC[N@H+](Cc1cc(C#N)n(C)c1)Cc1ccnn1C ZINC000426530136 247038425 /nfs/dbraw/zinc/03/84/25/247038425.db2.gz NTBKVTBZYLBKNI-UHFFFAOYSA-N 1 2 287.367 1.279 20 30 CDEDLO COCC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccnn1C ZINC000426530136 247038428 /nfs/dbraw/zinc/03/84/28/247038428.db2.gz NTBKVTBZYLBKNI-UHFFFAOYSA-N 1 2 287.367 1.279 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000135028003 375672955 /nfs/dbraw/zinc/67/29/55/375672955.db2.gz BENHIFSZJNNTOD-DZGCQCFKSA-N 1 2 267.417 1.341 20 30 CDEDLO C#CCNC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000060460912 375849602 /nfs/dbraw/zinc/84/96/02/375849602.db2.gz YDRHWGQPVMEGMK-UHFFFAOYSA-N 1 2 293.370 1.976 20 30 CDEDLO C#CCNC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000060460912 375849607 /nfs/dbraw/zinc/84/96/07/375849607.db2.gz YDRHWGQPVMEGMK-UHFFFAOYSA-N 1 2 293.370 1.976 20 30 CDEDLO C[C@@H]1CC(=O)N[C@H](C(=O)NCc2[nH+]ccn2C)C1 ZINC000328801166 375975055 /nfs/dbraw/zinc/97/50/55/375975055.db2.gz IYNNJAZNRNXRIF-IUCAKERBSA-N 1 2 250.302 1.632 20 30 CDEDLO O=C(NCC1(CCO)CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000328953633 376019293 /nfs/dbraw/zinc/01/92/93/376019293.db2.gz OEYWLDDCUKMGMO-GFCCVEGCSA-N 1 2 277.368 1.955 20 30 CDEDLO C=C1CC[NH+](CC(=O)N[C@H](C(=O)OC)[C@@H](C)CC)CC1 ZINC000264520360 190115763 /nfs/dbraw/zinc/11/57/63/190115763.db2.gz ZXLZKDMNEJUTTR-JSGCOSHPSA-N 1 2 282.384 1.342 20 30 CDEDLO C[C@H]1CC[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000435443709 248169504 /nfs/dbraw/zinc/16/95/04/248169504.db2.gz PJAJUYRARKBIDQ-JTQLQIEISA-N 1 2 299.421 1.334 20 30 CDEDLO C[C@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000435443709 248169510 /nfs/dbraw/zinc/16/95/10/248169510.db2.gz PJAJUYRARKBIDQ-JTQLQIEISA-N 1 2 299.421 1.334 20 30 CDEDLO N#Cc1cccc(C2(C(=O)NCCc3[nH]cc[nH+]3)CC2)c1 ZINC000435473495 248172030 /nfs/dbraw/zinc/17/20/30/248172030.db2.gz IVNYXRIAMCWWCX-UHFFFAOYSA-N 1 2 280.331 1.672 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000190563348 377878032 /nfs/dbraw/zinc/87/80/32/377878032.db2.gz MZXGLMQNUNKTIB-CYBMUJFWSA-N 1 2 295.427 1.884 20 30 CDEDLO C#CCOc1ccc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000081801219 377925672 /nfs/dbraw/zinc/92/56/72/377925672.db2.gz XSHVYVNOOAGFES-CQSZACIVSA-N 1 2 297.358 1.961 20 30 CDEDLO C[C@@H](C#N)CNC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000563760270 378060322 /nfs/dbraw/zinc/06/03/22/378060322.db2.gz LIPFXZSYWKKUHK-LBPRGKRZSA-N 1 2 297.362 1.527 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)c1 ZINC000282729532 378068859 /nfs/dbraw/zinc/06/88/59/378068859.db2.gz MFUDTDVSAJPJLU-HNNXBMFYSA-N 1 2 295.404 1.870 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)c1 ZINC000282729532 378068862 /nfs/dbraw/zinc/06/88/62/378068862.db2.gz MFUDTDVSAJPJLU-HNNXBMFYSA-N 1 2 295.404 1.870 20 30 CDEDLO CC#CC[C@@H](CO)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000645404929 378152598 /nfs/dbraw/zinc/15/25/98/378152598.db2.gz SUMTWXHRRYADPZ-LBPRGKRZSA-N 1 2 260.341 1.263 20 30 CDEDLO CC#CC[C@@H](CO)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000645404929 378152603 /nfs/dbraw/zinc/15/26/03/378152603.db2.gz SUMTWXHRRYADPZ-LBPRGKRZSA-N 1 2 260.341 1.263 20 30 CDEDLO CC#CC[N@H+](C)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000292981768 378532552 /nfs/dbraw/zinc/53/25/52/378532552.db2.gz BKLHZEYREWEQJO-OAHLLOKOSA-N 1 2 256.349 1.961 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000292981768 378532557 /nfs/dbraw/zinc/53/25/57/378532557.db2.gz BKLHZEYREWEQJO-OAHLLOKOSA-N 1 2 256.349 1.961 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@]1(C)C(=O)OC ZINC000186390174 378849660 /nfs/dbraw/zinc/84/96/60/378849660.db2.gz ZMCGZIFKLQQQMN-HNNXBMFYSA-N 1 2 280.368 1.215 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@]1(C)C(=O)OC ZINC000186390174 378849666 /nfs/dbraw/zinc/84/96/66/378849666.db2.gz ZMCGZIFKLQQQMN-HNNXBMFYSA-N 1 2 280.368 1.215 20 30 CDEDLO N#Cc1cccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000174488935 379506970 /nfs/dbraw/zinc/50/69/70/379506970.db2.gz XSVWEKNLNQXBLL-INIZCTEOSA-N 1 2 299.374 1.495 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000662168187 412918060 /nfs/dbraw/zinc/91/80/60/412918060.db2.gz WUJDJAZOPQCXGF-OCCSQVGLSA-N 1 2 278.327 1.282 20 30 CDEDLO C=CC[NH+](CC=C)CC(=O)NC(=O)c1ccc(OC)cc1 ZINC000267853925 190358995 /nfs/dbraw/zinc/35/89/95/190358995.db2.gz GIEFNEXUCRADQI-UHFFFAOYSA-N 1 2 288.347 1.626 20 30 CDEDLO N#Cc1cccc(SCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000450229664 251184162 /nfs/dbraw/zinc/18/41/62/251184162.db2.gz DQZPPOBDGCJDIS-UHFFFAOYSA-N 1 2 293.348 1.891 20 30 CDEDLO CCn1cc[nH+]c1C=CC(=O)Nc1ccc(C#N)cn1 ZINC000492539295 253241704 /nfs/dbraw/zinc/24/17/04/253241704.db2.gz UKFKJEFMIDBMBS-AATRIKPKSA-N 1 2 267.292 1.243 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Nc2ccccc2C)CC1 ZINC000179512202 260052138 /nfs/dbraw/zinc/05/21/38/260052138.db2.gz GZJNFOKONFYSGV-UHFFFAOYSA-N 1 2 257.337 1.778 20 30 CDEDLO Cn1c[nH+]cc1Cn1cc(C#N)c(=O)c2ccccc21 ZINC000432552119 390483160 /nfs/dbraw/zinc/48/31/60/390483160.db2.gz KFZBUPLVXDIHBD-UHFFFAOYSA-N 1 2 264.288 1.655 20 30 CDEDLO C[C@@H]1CC(=O)NCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000363487123 390860234 /nfs/dbraw/zinc/86/02/34/390860234.db2.gz DKRFZMAKALBENQ-GFCCVEGCSA-N 1 2 260.312 1.388 20 30 CDEDLO C[C@@H]1CC(=O)NCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000363487123 390860236 /nfs/dbraw/zinc/86/02/36/390860236.db2.gz DKRFZMAKALBENQ-GFCCVEGCSA-N 1 2 260.312 1.388 20 30 CDEDLO C=CCCC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000102244314 390957812 /nfs/dbraw/zinc/95/78/12/390957812.db2.gz VQIILVKUCGDTEU-UHFFFAOYSA-N 1 2 266.345 1.449 20 30 CDEDLO C#CCOCCC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156615038 390923167 /nfs/dbraw/zinc/92/31/67/390923167.db2.gz ZNBYMESMAVMLKJ-KGLIPLIRSA-N 1 2 275.352 1.333 20 30 CDEDLO CC(C)[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CCO1 ZINC000329593011 391022254 /nfs/dbraw/zinc/02/22/54/391022254.db2.gz CBEJBDCTWLONRU-FZMZJTMJSA-N 1 2 292.383 1.538 20 30 CDEDLO CC(C)[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CCO1 ZINC000329593011 391022258 /nfs/dbraw/zinc/02/22/58/391022258.db2.gz CBEJBDCTWLONRU-FZMZJTMJSA-N 1 2 292.383 1.538 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000364488903 390964858 /nfs/dbraw/zinc/96/48/58/390964858.db2.gz VSAREYOQMVFUHE-AWEZNQCLSA-N 1 2 271.299 1.736 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000364488903 390964859 /nfs/dbraw/zinc/96/48/59/390964859.db2.gz VSAREYOQMVFUHE-AWEZNQCLSA-N 1 2 271.299 1.736 20 30 CDEDLO Cc1cc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)on1 ZINC000026328780 391099265 /nfs/dbraw/zinc/09/92/65/391099265.db2.gz ILHJWUYOWSOTFZ-UHFFFAOYSA-N 1 2 284.319 1.925 20 30 CDEDLO Cc1cc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)on1 ZINC000026328780 391099271 /nfs/dbraw/zinc/09/92/71/391099271.db2.gz ILHJWUYOWSOTFZ-UHFFFAOYSA-N 1 2 284.319 1.925 20 30 CDEDLO C=C(C)C[N@@H+](CC)Cc1nnnn1CC1CCOCC1 ZINC000373072056 391103818 /nfs/dbraw/zinc/10/38/18/391103818.db2.gz WCHGASZLZLOUOL-UHFFFAOYSA-N 1 2 279.388 1.498 20 30 CDEDLO C=C(C)C[N@H+](CC)Cc1nnnn1CC1CCOCC1 ZINC000373072056 391103821 /nfs/dbraw/zinc/10/38/21/391103821.db2.gz WCHGASZLZLOUOL-UHFFFAOYSA-N 1 2 279.388 1.498 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000491453966 391133945 /nfs/dbraw/zinc/13/39/45/391133945.db2.gz UVDQVYCNFQUKFT-OLZOCXBDSA-N 1 2 274.368 1.721 20 30 CDEDLO Cc1cc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)on1 ZINC000178977257 391194486 /nfs/dbraw/zinc/19/44/86/391194486.db2.gz OMAYUJRYMBRSIE-UHFFFAOYSA-N 1 2 273.292 1.755 20 30 CDEDLO Cc1nc(CC(N)=NOCc2c[nH+]cn2C)cs1 ZINC000267740720 391204061 /nfs/dbraw/zinc/20/40/61/391204061.db2.gz FXIRXMGLZCWWAO-UHFFFAOYSA-N 1 2 265.342 1.217 20 30 CDEDLO C#C[C@H](CCC)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000491689840 391213024 /nfs/dbraw/zinc/21/30/24/391213024.db2.gz BPWZHDSSJDZDKB-CYBMUJFWSA-N 1 2 281.400 1.198 20 30 CDEDLO C#C[C@H](CCC)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000491689840 391213027 /nfs/dbraw/zinc/21/30/27/391213027.db2.gz BPWZHDSSJDZDKB-CYBMUJFWSA-N 1 2 281.400 1.198 20 30 CDEDLO C=CCOCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000339201646 391265740 /nfs/dbraw/zinc/26/57/40/391265740.db2.gz MWXLQLBWCKVYAU-UHFFFAOYSA-N 1 2 278.308 1.992 20 30 CDEDLO C=CCOCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000339201646 391265744 /nfs/dbraw/zinc/26/57/44/391265744.db2.gz MWXLQLBWCKVYAU-UHFFFAOYSA-N 1 2 278.308 1.992 20 30 CDEDLO CCCN(CC#N)C(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339266180 391276085 /nfs/dbraw/zinc/27/60/85/391276085.db2.gz UIZYLFIAKMWTNK-KBPBESRZSA-N 1 2 281.400 1.638 20 30 CDEDLO CCCN(CC#N)C(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000339266180 391276089 /nfs/dbraw/zinc/27/60/89/391276089.db2.gz UIZYLFIAKMWTNK-KBPBESRZSA-N 1 2 281.400 1.638 20 30 CDEDLO CCC[N@H+](CC#N)C[C@H]1CCO[C@@H]1c1ccnn1C ZINC000343217417 391333564 /nfs/dbraw/zinc/33/35/64/391333564.db2.gz OCHGEFGICZUQPV-OCCSQVGLSA-N 1 2 262.357 1.733 20 30 CDEDLO CCC[N@@H+](CC#N)C[C@H]1CCO[C@@H]1c1ccnn1C ZINC000343217417 391333566 /nfs/dbraw/zinc/33/35/66/391333566.db2.gz OCHGEFGICZUQPV-OCCSQVGLSA-N 1 2 262.357 1.733 20 30 CDEDLO C#CC[NH+]1CCN(c2nc(C)nc3ccc(OC)cc32)CC1 ZINC000301958167 391290053 /nfs/dbraw/zinc/29/00/53/391290053.db2.gz LKDDUSQACBJPJE-UHFFFAOYSA-N 1 2 296.374 1.702 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000339766855 391355000 /nfs/dbraw/zinc/35/50/00/391355000.db2.gz UWDIPOAQFNDEQR-LBPRGKRZSA-N 1 2 260.337 1.977 20 30 CDEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000339766855 391355003 /nfs/dbraw/zinc/35/50/03/391355003.db2.gz UWDIPOAQFNDEQR-LBPRGKRZSA-N 1 2 260.337 1.977 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1csnn1 ZINC000412034585 391564181 /nfs/dbraw/zinc/56/41/81/391564181.db2.gz GFVKTOFXADMCMH-GHMZBOCLSA-N 1 2 280.397 1.778 20 30 CDEDLO C=CCOCC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360010415 391632141 /nfs/dbraw/zinc/63/21/41/391632141.db2.gz NIGMDHZNLXVYRU-UHFFFAOYSA-N 1 2 271.320 1.691 20 30 CDEDLO C=CC1CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000349997110 391591144 /nfs/dbraw/zinc/59/11/44/391591144.db2.gz YZDQKKCDRVJILK-ZDUSSCGKSA-N 1 2 281.400 1.315 20 30 CDEDLO C=CC1CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000349997110 391591147 /nfs/dbraw/zinc/59/11/47/391591147.db2.gz YZDQKKCDRVJILK-ZDUSSCGKSA-N 1 2 281.400 1.315 20 30 CDEDLO C=CCN(CC=C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105300618 391611714 /nfs/dbraw/zinc/61/17/14/391611714.db2.gz GBLIRSNURUWMSF-ZIAGYGMSSA-N 1 2 281.400 1.479 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCN(C)C[C@H]2c2ccccc2)C1=O ZINC000281960101 391666493 /nfs/dbraw/zinc/66/64/93/391666493.db2.gz KKCMRUWAAGRJSI-IRXDYDNUSA-N 1 2 299.418 1.762 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCN(C)C[C@H]2c2ccccc2)C1=O ZINC000281960101 391666496 /nfs/dbraw/zinc/66/64/96/391666496.db2.gz KKCMRUWAAGRJSI-IRXDYDNUSA-N 1 2 299.418 1.762 20 30 CDEDLO C[C@]([NH2+]CC1(C#N)CC1)(C(N)=O)c1cccc(Cl)c1 ZINC000343302057 391675847 /nfs/dbraw/zinc/67/58/47/391675847.db2.gz LIWLPKBMFOULRO-CYBMUJFWSA-N 1 2 277.755 1.934 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2C(C)C)CC1 ZINC000295878607 391685035 /nfs/dbraw/zinc/68/50/35/391685035.db2.gz FCNNTRFLAQANIA-UHFFFAOYSA-N 1 2 273.384 1.492 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc2ncccc2c1 ZINC000519739783 391696713 /nfs/dbraw/zinc/69/67/13/391696713.db2.gz WEKUXUPZUCUICF-INIZCTEOSA-N 1 2 282.347 1.808 20 30 CDEDLO C[C@H](O)CNc1cc(NCC(C)(C)CCC#N)[nH+]cn1 ZINC000413305180 391744963 /nfs/dbraw/zinc/74/49/63/391744963.db2.gz UMJSXNICJUEOOG-NSHDSACASA-N 1 2 277.372 1.433 20 30 CDEDLO C[C@H](O)CNc1cc(NCC(C)(C)CCC#N)nc[nH+]1 ZINC000413305180 391744966 /nfs/dbraw/zinc/74/49/66/391744966.db2.gz UMJSXNICJUEOOG-NSHDSACASA-N 1 2 277.372 1.433 20 30 CDEDLO CC[N@@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)[C@@H](C)C1 ZINC000341794954 130034419 /nfs/dbraw/zinc/03/44/19/130034419.db2.gz DYLFCWABLHSRTM-NSHDSACASA-N 1 2 273.336 1.430 20 30 CDEDLO CC[N@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)[C@@H](C)C1 ZINC000341794954 130034422 /nfs/dbraw/zinc/03/44/22/130034422.db2.gz DYLFCWABLHSRTM-NSHDSACASA-N 1 2 273.336 1.430 20 30 CDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C#Cc1ccccc1 ZINC000287419611 391738826 /nfs/dbraw/zinc/73/88/26/391738826.db2.gz QFNANKYNRHTSAS-NVXWUHKLSA-N 1 2 298.386 1.360 20 30 CDEDLO O=C(Nc1ccn2cc[nH+]c2c1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329782836 391777702 /nfs/dbraw/zinc/77/77/02/391777702.db2.gz OBPUKUMCLIIWRF-UHTWSYAYSA-N 1 2 286.335 1.583 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@@H](COC(C)C)C1 ZINC000372120012 391838497 /nfs/dbraw/zinc/83/84/97/391838497.db2.gz JLQHXSGAOZGJNS-OAHLLOKOSA-N 1 2 296.411 1.313 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@@H](COC(C)C)C1 ZINC000372120012 391838503 /nfs/dbraw/zinc/83/85/03/391838503.db2.gz JLQHXSGAOZGJNS-OAHLLOKOSA-N 1 2 296.411 1.313 20 30 CDEDLO C=CC[N@@H+](CCN1C(=O)CNC1=O)Cc1ccccc1F ZINC000194319002 392168704 /nfs/dbraw/zinc/16/87/04/392168704.db2.gz QDMKUYCSWUZHAR-UHFFFAOYSA-N 1 2 291.326 1.366 20 30 CDEDLO C=CC[N@H+](CCN1C(=O)CNC1=O)Cc1ccccc1F ZINC000194319002 392168709 /nfs/dbraw/zinc/16/87/09/392168709.db2.gz QDMKUYCSWUZHAR-UHFFFAOYSA-N 1 2 291.326 1.366 20 30 CDEDLO C#CC(C)(C)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000491706317 392568048 /nfs/dbraw/zinc/56/80/48/392568048.db2.gz KCMJLZQXAXTNMS-UHFFFAOYSA-N 1 2 290.388 1.676 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000491706317 392568052 /nfs/dbraw/zinc/56/80/52/392568052.db2.gz KCMJLZQXAXTNMS-UHFFFAOYSA-N 1 2 290.388 1.676 20 30 CDEDLO C=C[C@@H](O)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000646683952 392649615 /nfs/dbraw/zinc/64/96/15/392649615.db2.gz MGRSPRDZSPDODA-CQSZACIVSA-N 1 2 289.379 1.625 20 30 CDEDLO Cc1cc(N[C@H]2CCO[C@H](c3ccnn3C)C2)c(C#N)c[nH+]1 ZINC000519145080 392843977 /nfs/dbraw/zinc/84/39/77/392843977.db2.gz IZKXZJQGMBXJRG-BBRMVZONSA-N 1 2 297.362 1.749 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c1F ZINC000519782831 392847356 /nfs/dbraw/zinc/84/73/56/392847356.db2.gz BYCCPECOTYAELT-CQSZACIVSA-N 1 2 287.338 1.940 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)c1F ZINC000519782831 392847361 /nfs/dbraw/zinc/84/73/61/392847361.db2.gz BYCCPECOTYAELT-CQSZACIVSA-N 1 2 287.338 1.940 20 30 CDEDLO Cc1cc(NC[C@H](CO)Cc2ccccc2)c(C#N)c[nH+]1 ZINC000425207999 392994287 /nfs/dbraw/zinc/99/42/87/392994287.db2.gz NXAKJTVNQWDSPD-OAHLLOKOSA-N 1 2 281.359 1.947 20 30 CDEDLO Cc1cc(NCCNC(=O)C(C)(C)C)c(C#N)c[nH+]1 ZINC000425220610 392995987 /nfs/dbraw/zinc/99/59/87/392995987.db2.gz IUDBGARECBZYFN-UHFFFAOYSA-N 1 2 260.341 1.258 20 30 CDEDLO Cc1cc(N(C)CCNC(=O)C(C)C)c(C#N)c[nH+]1 ZINC000425250115 393005259 /nfs/dbraw/zinc/00/52/59/393005259.db2.gz VLHCMPDBYNMFPZ-UHFFFAOYSA-N 1 2 260.341 1.470 20 30 CDEDLO CCN1CCN(c2ccc(C#N)nc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000530428720 393051571 /nfs/dbraw/zinc/05/15/71/393051571.db2.gz UFZRRAWURMQLHS-AWEZNQCLSA-N 1 2 282.351 1.560 20 30 CDEDLO O=C(NCC#Cc1cccc(F)c1)[C@H]1CCc2c[nH+]cn2C1 ZINC000649219799 393061891 /nfs/dbraw/zinc/06/18/91/393061891.db2.gz JAQMRDJOEVBTGJ-AWEZNQCLSA-N 1 2 297.333 1.753 20 30 CDEDLO COC(=O)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000095020932 398128802 /nfs/dbraw/zinc/12/88/02/398128802.db2.gz ZDZCANIBVCDOOG-NSHDSACASA-N 1 2 262.284 1.692 20 30 CDEDLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000095020932 398128808 /nfs/dbraw/zinc/12/88/08/398128808.db2.gz ZDZCANIBVCDOOG-NSHDSACASA-N 1 2 262.284 1.692 20 30 CDEDLO C[C@@H](NC(=O)c1sccc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000104599429 147199246 /nfs/dbraw/zinc/19/92/46/147199246.db2.gz JWOWDIAJCGFRJK-MNOVXSKESA-N 1 2 293.392 1.459 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H](C)[S@@]1=O ZINC000336088552 151258327 /nfs/dbraw/zinc/25/83/27/151258327.db2.gz MUIDYJYOXYNQGY-KSPBDQMDSA-N 1 2 262.378 1.900 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H](C)[S@@]1=O ZINC000336088552 151258328 /nfs/dbraw/zinc/25/83/28/151258328.db2.gz MUIDYJYOXYNQGY-KSPBDQMDSA-N 1 2 262.378 1.900 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000336118173 151283415 /nfs/dbraw/zinc/28/34/15/151283415.db2.gz PBILDHCDUFRCMQ-AWEZNQCLSA-N 1 2 275.327 1.750 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000336118173 151283417 /nfs/dbraw/zinc/28/34/17/151283417.db2.gz PBILDHCDUFRCMQ-AWEZNQCLSA-N 1 2 275.327 1.750 20 30 CDEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C[C@H](C)O ZINC000352186489 155008585 /nfs/dbraw/zinc/00/85/85/155008585.db2.gz MIQCSDRDIFZMKZ-LBPRGKRZSA-N 1 2 296.392 1.035 20 30 CDEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C[C@H](C)O ZINC000352186489 155008588 /nfs/dbraw/zinc/00/85/88/155008588.db2.gz MIQCSDRDIFZMKZ-LBPRGKRZSA-N 1 2 296.392 1.035 20 30 CDEDLO CCn1ncnc1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000355599243 157136060 /nfs/dbraw/zinc/13/60/60/157136060.db2.gz NGAFJAJIQQINFL-UHFFFAOYSA-N 1 2 255.325 1.768 20 30 CDEDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1cnn(C)c1C#N ZINC000356204548 157396306 /nfs/dbraw/zinc/39/63/06/157396306.db2.gz NXPKSCBOJFBYSN-UHFFFAOYSA-N 1 2 286.339 1.074 20 30 CDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000366791711 159390952 /nfs/dbraw/zinc/39/09/52/159390952.db2.gz RYRCQNKZTWWTSO-CVEARBPZSA-N 1 2 299.374 1.428 20 30 CDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000366791711 159390954 /nfs/dbraw/zinc/39/09/54/159390954.db2.gz RYRCQNKZTWWTSO-CVEARBPZSA-N 1 2 299.374 1.428 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000372382558 160114625 /nfs/dbraw/zinc/11/46/25/160114625.db2.gz CVVAQVUSUPBBDP-LLVKDONJSA-N 1 2 273.336 1.277 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCNC(=O)C[C@H]1C ZINC000372382558 160114628 /nfs/dbraw/zinc/11/46/28/160114628.db2.gz CVVAQVUSUPBBDP-LLVKDONJSA-N 1 2 273.336 1.277 20 30 CDEDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2nccnc2C#N)CC1 ZINC000265137773 287155430 /nfs/dbraw/zinc/15/54/30/287155430.db2.gz PGZMQKMNKCMYHQ-ZDUSSCGKSA-N 1 2 294.362 1.626 20 30 CDEDLO C=CC[N@H+](CC(=O)N(C)c1nccs1)[C@@H](C)COC ZINC000661244660 413917166 /nfs/dbraw/zinc/91/71/66/413917166.db2.gz XDZVFVMUTHMEJJ-NSHDSACASA-N 1 2 283.397 1.629 20 30 CDEDLO C=CC[N@@H+](CC(=O)N(C)c1nccs1)[C@@H](C)COC ZINC000661244660 413917170 /nfs/dbraw/zinc/91/71/70/413917170.db2.gz XDZVFVMUTHMEJJ-NSHDSACASA-N 1 2 283.397 1.629 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCC(C)C)Cc1ccccc1 ZINC000285779819 196395871 /nfs/dbraw/zinc/39/58/71/196395871.db2.gz SNHWWZGSGKBFBS-UHFFFAOYSA-N 1 2 258.365 1.894 20 30 CDEDLO C#CC[N@H+](CC(=O)NCC(C)C)Cc1ccccc1 ZINC000285779819 196395873 /nfs/dbraw/zinc/39/58/73/196395873.db2.gz SNHWWZGSGKBFBS-UHFFFAOYSA-N 1 2 258.365 1.894 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2cccn(CC)c2=O)nn1 ZINC000657453341 414350777 /nfs/dbraw/zinc/35/07/77/414350777.db2.gz ZQFUFHRPSRFUCU-UHFFFAOYSA-N 1 2 287.367 1.326 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CC(=O)NC(C)C ZINC000078644615 177365694 /nfs/dbraw/zinc/36/56/94/177365694.db2.gz RBMLOUXGEBVWSS-CYBMUJFWSA-N 1 2 283.416 1.256 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CC(=O)NC(C)C ZINC000078644615 177365695 /nfs/dbraw/zinc/36/56/95/177365695.db2.gz RBMLOUXGEBVWSS-CYBMUJFWSA-N 1 2 283.416 1.256 20 30 CDEDLO C[C@@H](C#N)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171838405 335081801 /nfs/dbraw/zinc/08/18/01/335081801.db2.gz RPQACRWUHSNRGB-NSHDSACASA-N 1 2 254.293 1.762 20 30 CDEDLO Cn1ccc(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000329052801 227275920 /nfs/dbraw/zinc/27/59/20/227275920.db2.gz RTDFYNBIUUBJMB-NSHDSACASA-N 1 2 288.355 1.437 20 30 CDEDLO O=C(C[N@@H+]1CCO[C@]2(CCCOC2)C1)NC[C@@H]1CCCO1 ZINC000329095793 227294401 /nfs/dbraw/zinc/29/44/01/227294401.db2.gz XZFSFSWYJJYJDB-DZGCQCFKSA-N 1 2 298.383 1.003 20 30 CDEDLO O=C(C[N@H+]1CCO[C@]2(CCCOC2)C1)NC[C@@H]1CCCO1 ZINC000329095793 227294404 /nfs/dbraw/zinc/29/44/04/227294404.db2.gz XZFSFSWYJJYJDB-DZGCQCFKSA-N 1 2 298.383 1.003 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)Cc1cccc(OCC#N)c1 ZINC000089707188 260450174 /nfs/dbraw/zinc/45/01/74/260450174.db2.gz JVXKWQYNORUXOP-UHFFFAOYSA-N 1 2 298.346 1.524 20 30 CDEDLO C[C@@H]1CCN(S(=O)(=O)CCCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000151279720 260594434 /nfs/dbraw/zinc/59/44/34/260594434.db2.gz DDXJYCAHONKGDJ-OLZOCXBDSA-N 1 2 296.396 1.400 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)C1(C#N)CCOCC1 ZINC000154948310 261096213 /nfs/dbraw/zinc/09/62/13/261096213.db2.gz PQWAEWSAZNPEEW-UHFFFAOYSA-N 1 2 276.340 1.052 20 30 CDEDLO Cc1ccc(/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000493119635 262262080 /nfs/dbraw/zinc/26/20/80/262262080.db2.gz OOCIROBJYWFCBP-YDZSZYSISA-N 1 2 271.364 1.968 20 30 CDEDLO Cc1ccc(NC(=O)C(=O)N(C)C[C@H](C)C#N)c(C)[nH+]1 ZINC000275680939 263033985 /nfs/dbraw/zinc/03/39/85/263033985.db2.gz KZTDVTYZYNYRNE-SECBINFHSA-N 1 2 274.324 1.255 20 30 CDEDLO C#Cc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000278991025 263052247 /nfs/dbraw/zinc/05/22/47/263052247.db2.gz QGRCMVUXUVITNJ-UHFFFAOYSA-N 1 2 297.402 1.716 20 30 CDEDLO CCc1nc(CO[NH+]=C(N)[C@@H]2CCCO2)cs1 ZINC000284425511 263086770 /nfs/dbraw/zinc/08/67/70/263086770.db2.gz OLUXSULURXXKJV-VIFPVBQESA-N 1 2 255.343 1.673 20 30 CDEDLO C[N@H+](CC#Cc1ccc(Cl)cc1)[C@@H]1CCNC1=O ZINC000340221687 263097186 /nfs/dbraw/zinc/09/71/86/263097186.db2.gz QEQIZWXILGCCIB-CYBMUJFWSA-N 1 2 262.740 1.512 20 30 CDEDLO C[N@@H+](CC#Cc1ccc(Cl)cc1)[C@@H]1CCNC1=O ZINC000340221687 263097187 /nfs/dbraw/zinc/09/71/87/263097187.db2.gz QEQIZWXILGCCIB-CYBMUJFWSA-N 1 2 262.740 1.512 20 30 CDEDLO C[N@H+](CC#Cc1cccc(Cl)c1)[C@H]1CCNC1=O ZINC000340222965 263097540 /nfs/dbraw/zinc/09/75/40/263097540.db2.gz QCYOZIKTQZJOHI-ZDUSSCGKSA-N 1 2 262.740 1.512 20 30 CDEDLO C[N@@H+](CC#Cc1cccc(Cl)c1)[C@H]1CCNC1=O ZINC000340222965 263097541 /nfs/dbraw/zinc/09/75/41/263097541.db2.gz QCYOZIKTQZJOHI-ZDUSSCGKSA-N 1 2 262.740 1.512 20 30 CDEDLO CC(C)[C@@H](NS(=O)(=O)CCCC#N)c1[nH]cc[nH+]1 ZINC000288907120 263106580 /nfs/dbraw/zinc/10/65/80/263106580.db2.gz KDXQBVVGDKAHLA-SNVBAGLBSA-N 1 2 270.358 1.330 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)NCc1ccccc1 ZINC000299154630 263231796 /nfs/dbraw/zinc/23/17/96/263231796.db2.gz HHEZWYNPFPAGGI-QWHCGFSZSA-N 1 2 259.353 1.783 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)NCc1ccccc1 ZINC000299154630 263231799 /nfs/dbraw/zinc/23/17/99/263231799.db2.gz HHEZWYNPFPAGGI-QWHCGFSZSA-N 1 2 259.353 1.783 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000299190088 263234486 /nfs/dbraw/zinc/23/44/86/263234486.db2.gz CXDVNWOYBXTOON-MRXNPFEDSA-N 1 2 293.370 1.890 20 30 CDEDLO C/C(=C\C(=O)N(CCC#N)CC[NH+]1CCOCC1)C1CC1 ZINC000299547245 263246243 /nfs/dbraw/zinc/24/62/43/263246243.db2.gz RTZDPRPCAXKQKQ-BUHFOSPRSA-N 1 2 291.395 1.417 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120282129 263283126 /nfs/dbraw/zinc/28/31/26/263283126.db2.gz KFVVYBXVQWNCJH-UHFFFAOYSA-N 1 2 255.749 1.413 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)Cc1cc(Cl)cn1C ZINC000120282129 263283127 /nfs/dbraw/zinc/28/31/27/263283127.db2.gz KFVVYBXVQWNCJH-UHFFFAOYSA-N 1 2 255.749 1.413 20 30 CDEDLO CC(C)(C#N)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120536663 263285893 /nfs/dbraw/zinc/28/58/93/263285893.db2.gz OEKWCHSGTYWYRS-GFCCVEGCSA-N 1 2 259.309 1.611 20 30 CDEDLO C=C1CC[NH+](CC(=O)N[C@H](C(C)=O)C(C)C)CC1 ZINC000341989852 263381139 /nfs/dbraw/zinc/38/11/39/263381139.db2.gz BAVQWTGHQDWSQM-AWEZNQCLSA-N 1 2 252.358 1.368 20 30 CDEDLO CC(C)[C@H](C#N)NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000342091273 263391197 /nfs/dbraw/zinc/39/11/97/263391197.db2.gz JYTHSAAOVPERHG-QWRGUYRKSA-N 1 2 255.387 1.088 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000342177056 263392254 /nfs/dbraw/zinc/39/22/54/263392254.db2.gz HGBBOYCSSYSWFG-CYBMUJFWSA-N 1 2 287.363 1.646 20 30 CDEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000330631778 264000073 /nfs/dbraw/zinc/00/00/73/264000073.db2.gz GNLNNQNVKKTUDT-GUTXKFCHSA-N 1 2 281.400 1.540 20 30 CDEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000330631778 264000074 /nfs/dbraw/zinc/00/00/74/264000074.db2.gz GNLNNQNVKKTUDT-GUTXKFCHSA-N 1 2 281.400 1.540 20 30 CDEDLO CC(C)CNC(=O)NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000330780455 264035763 /nfs/dbraw/zinc/03/57/63/264035763.db2.gz NRVCQPLJQQYBRT-UHFFFAOYSA-N 1 2 280.372 1.298 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000330736988 264037948 /nfs/dbraw/zinc/03/79/48/264037948.db2.gz MPZRUSVTZFVHAI-UONOGXRCSA-N 1 2 281.400 1.351 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000330736988 264037951 /nfs/dbraw/zinc/03/79/51/264037951.db2.gz MPZRUSVTZFVHAI-UONOGXRCSA-N 1 2 281.400 1.351 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H]1C(C)(C)O ZINC000330874436 264059817 /nfs/dbraw/zinc/05/98/17/264059817.db2.gz ZDRMUVOBPLUYMB-VXGBXAGGSA-N 1 2 280.372 1.421 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CCC[C@@H]1C(C)(C)O ZINC000330874436 264059818 /nfs/dbraw/zinc/05/98/18/264059818.db2.gz ZDRMUVOBPLUYMB-VXGBXAGGSA-N 1 2 280.372 1.421 20 30 CDEDLO COCC1=CCN(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000331116736 264129480 /nfs/dbraw/zinc/12/94/80/264129480.db2.gz MHADUXDIAKCGPQ-UHFFFAOYSA-N 1 2 264.329 1.113 20 30 CDEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCCC#N)CC1 ZINC000331165411 264144276 /nfs/dbraw/zinc/14/42/76/264144276.db2.gz SPQBXBAWBMQXBY-ZDUSSCGKSA-N 1 2 287.367 1.588 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000190521523 264391248 /nfs/dbraw/zinc/39/12/48/264391248.db2.gz JVISMWAOITYTAO-INIZCTEOSA-N 1 2 295.427 1.930 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)CC2(CCOCC2)O1 ZINC000602644002 424589781 /nfs/dbraw/zinc/58/97/81/424589781.db2.gz PNJRAWLDXLFBDQ-CYBMUJFWSA-N 1 2 287.363 1.723 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)CC2(CCOCC2)O1 ZINC000602644002 424589790 /nfs/dbraw/zinc/58/97/90/424589790.db2.gz PNJRAWLDXLFBDQ-CYBMUJFWSA-N 1 2 287.363 1.723 20 30 CDEDLO C=C(C)COCCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000359305655 266561855 /nfs/dbraw/zinc/56/18/55/266561855.db2.gz FEXAQZQTEIMMMR-UHFFFAOYSA-N 1 2 288.351 1.726 20 30 CDEDLO C[C@H]1C[N@H+](C[C@@H](C#N)CCC#N)CC2(CCOCC2)O1 ZINC000369283930 267230542 /nfs/dbraw/zinc/23/05/42/267230542.db2.gz PIAACKUUKYOSSA-UONOGXRCSA-N 1 2 277.368 1.700 20 30 CDEDLO C[C@H]1C[N@@H+](C[C@@H](C#N)CCC#N)CC2(CCOCC2)O1 ZINC000369283930 267230547 /nfs/dbraw/zinc/23/05/47/267230547.db2.gz PIAACKUUKYOSSA-UONOGXRCSA-N 1 2 277.368 1.700 20 30 CDEDLO Cc1cc(NCCSCCCO)c(C#N)c[nH+]1 ZINC000398984461 267299509 /nfs/dbraw/zinc/29/95/09/267299509.db2.gz GLYCBUYHBRRZCB-UHFFFAOYSA-N 1 2 251.355 1.211 20 30 CDEDLO N#CCc1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000371154296 267356310 /nfs/dbraw/zinc/35/63/10/267356310.db2.gz FYLBORZYPLZECH-INIZCTEOSA-N 1 2 299.374 1.299 20 30 CDEDLO COC(=O)[C@@H]1CCN(c2cc(C)[nH+]cc2C#N)C[C@H]1C ZINC000425256623 277092730 /nfs/dbraw/zinc/09/27/30/277092730.db2.gz PBCLJPMKYQTSRV-ZWNOBZJWSA-N 1 2 273.336 1.897 20 30 CDEDLO CC1(C)CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H]1C#N ZINC000336408857 278213343 /nfs/dbraw/zinc/21/33/43/278213343.db2.gz KWRNJJVUDCKYID-GXTWGEPZSA-N 1 2 286.379 1.986 20 30 CDEDLO Cc1nnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)o1 ZINC000541687483 289504602 /nfs/dbraw/zinc/50/46/02/289504602.db2.gz VCCYFRIXVVXRQV-ZJUUUORDSA-N 1 2 299.334 1.928 20 30 CDEDLO N#CC1CC[NH+]([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000352269985 294800077 /nfs/dbraw/zinc/80/00/77/294800077.db2.gz AXRKWYPVGOGVTM-OAHLLOKOSA-N 1 2 297.358 1.550 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000370203812 295077097 /nfs/dbraw/zinc/07/70/97/295077097.db2.gz KLRPUSQJJCLTQF-YUNKPMOVSA-N 1 2 292.404 1.910 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000370203812 295077099 /nfs/dbraw/zinc/07/70/99/295077099.db2.gz KLRPUSQJJCLTQF-YUNKPMOVSA-N 1 2 292.404 1.910 20 30 CDEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccccn3)CC2)nc1 ZINC000578075067 317466111 /nfs/dbraw/zinc/46/61/11/317466111.db2.gz XUAYHYLBGRQIAW-UHFFFAOYSA-N 1 2 293.374 1.666 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCc2nnc(C)s2)cc1 ZINC000271554566 328196759 /nfs/dbraw/zinc/19/67/59/328196759.db2.gz SMDKRGGDKPCZEP-UHFFFAOYSA-N 1 2 278.337 1.692 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000298337928 328295719 /nfs/dbraw/zinc/29/57/19/328295719.db2.gz AFOKNVVJYPFZPZ-CQSZACIVSA-N 1 2 271.364 1.286 20 30 CDEDLO N#Cc1cnc(NCC2([NH+]3CCOCC3)CC2)c(F)c1 ZINC000579447056 324186977 /nfs/dbraw/zinc/18/69/77/324186977.db2.gz AEGCXWVNXWGWBG-UHFFFAOYSA-N 1 2 276.315 1.369 20 30 CDEDLO C[C@@H]1CCN(c2ccc(C#N)c(N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000580212263 324406350 /nfs/dbraw/zinc/40/63/50/324406350.db2.gz FAZLXCJYHWQKOS-YPMHNXCESA-N 1 2 282.351 1.819 20 30 CDEDLO COc1cc(C)[nH+]c(Cn2cc3c(c(C#N)c2=O)CCC3)c1 ZINC000582673546 325021691 /nfs/dbraw/zinc/02/16/91/325021691.db2.gz PLFXZXDAUHLNRS-UHFFFAOYSA-N 1 2 295.342 1.969 20 30 CDEDLO Cc1cc(NC(=O)C[C@@H](C)n2cc[nH+]c2)ncc1C#N ZINC000583573231 325202705 /nfs/dbraw/zinc/20/27/05/325202705.db2.gz OEPNSXOMMABFPK-LLVKDONJSA-N 1 2 269.308 1.470 20 30 CDEDLO C#CCCS(=O)(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000377339078 329011846 /nfs/dbraw/zinc/01/18/46/329011846.db2.gz GBHVXHRNUHAMHK-CYBMUJFWSA-N 1 2 295.408 1.783 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)cc1 ZINC000377658458 329023241 /nfs/dbraw/zinc/02/32/41/329023241.db2.gz KAEUITKPTCETRA-HNNXBMFYSA-N 1 2 297.358 1.136 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)cc1 ZINC000377658458 329023242 /nfs/dbraw/zinc/02/32/42/329023242.db2.gz KAEUITKPTCETRA-HNNXBMFYSA-N 1 2 297.358 1.136 20 30 CDEDLO CCN(CCC#N)C(=O)CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378484778 329052275 /nfs/dbraw/zinc/05/22/75/329052275.db2.gz WXHYFTXGIRAWIX-GFCCVEGCSA-N 1 2 275.356 1.309 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000572361023 330001925 /nfs/dbraw/zinc/00/19/25/330001925.db2.gz YWIUTTOPUYDENP-DZGCQCFKSA-N 1 2 293.411 1.495 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000572361023 330001927 /nfs/dbraw/zinc/00/19/27/330001927.db2.gz YWIUTTOPUYDENP-DZGCQCFKSA-N 1 2 293.411 1.495 20 30 CDEDLO Cc1cc(CNC(=O)N(C)C[C@@H](C)C#N)cc(C)[nH+]1 ZINC000422211757 330132584 /nfs/dbraw/zinc/13/25/84/330132584.db2.gz QDVZOWWNEZJLNC-JTQLQIEISA-N 1 2 260.341 2.000 20 30 CDEDLO COc1cc(C)c(OC[C@@H](O)C[N@H+](C)CCC#N)c(C)c1 ZINC000424129107 330259730 /nfs/dbraw/zinc/25/97/30/330259730.db2.gz GBTUJYFBETXBTJ-AWEZNQCLSA-N 1 2 292.379 1.897 20 30 CDEDLO COc1cc(C)c(OC[C@@H](O)C[N@@H+](C)CCC#N)c(C)c1 ZINC000424129107 330259732 /nfs/dbraw/zinc/25/97/32/330259732.db2.gz GBTUJYFBETXBTJ-AWEZNQCLSA-N 1 2 292.379 1.897 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cnc(CC)nc2)nn1 ZINC000424168030 330309966 /nfs/dbraw/zinc/30/99/66/330309966.db2.gz FAQNAWNJLJCJHR-UHFFFAOYSA-N 1 2 258.329 1.106 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000424656633 330442439 /nfs/dbraw/zinc/44/24/39/330442439.db2.gz YLRNFASLQIDODZ-OLZOCXBDSA-N 1 2 268.401 1.814 20 30 CDEDLO C=CCC[C@@H](O)C[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000451596300 331035569 /nfs/dbraw/zinc/03/55/69/331035569.db2.gz SWYCZKCUNWUMDT-OLZOCXBDSA-N 1 2 257.374 1.879 20 30 CDEDLO C=C(CC)CNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000455521623 331171742 /nfs/dbraw/zinc/17/17/42/331171742.db2.gz KYQWCEGLWSAPNT-UHFFFAOYSA-N 1 2 288.395 1.875 20 30 CDEDLO C=C(CC)CNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000456809064 331204512 /nfs/dbraw/zinc/20/45/12/331204512.db2.gz AIJICHGVCKCKEV-GFCCVEGCSA-N 1 2 250.346 1.105 20 30 CDEDLO C=C(CC)CNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000459080700 331269590 /nfs/dbraw/zinc/26/95/90/331269590.db2.gz QADRQQLBNHQUGC-UHFFFAOYSA-N 1 2 291.399 1.214 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N(C)Cc1ccccc1F ZINC000490694861 332105429 /nfs/dbraw/zinc/10/54/29/332105429.db2.gz BJRXQOFKKVHXHF-UHFFFAOYSA-N 1 2 286.350 1.743 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N(C)Cc1ccccc1F ZINC000490694861 332105430 /nfs/dbraw/zinc/10/54/30/332105430.db2.gz BJRXQOFKKVHXHF-UHFFFAOYSA-N 1 2 286.350 1.743 20 30 CDEDLO C#CC[N@@H+](Cc1cccc(CC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000490740940 332111598 /nfs/dbraw/zinc/11/15/98/332111598.db2.gz RUTOPIBDGATUIN-INIZCTEOSA-N 1 2 291.416 1.871 20 30 CDEDLO C#CC[N@H+](Cc1cccc(CC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000490740940 332111599 /nfs/dbraw/zinc/11/15/99/332111599.db2.gz RUTOPIBDGATUIN-INIZCTEOSA-N 1 2 291.416 1.871 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC000490742387 332112019 /nfs/dbraw/zinc/11/20/19/332112019.db2.gz WZUWYEAGWHYFSD-UHFFFAOYSA-N 1 2 274.364 1.455 20 30 CDEDLO C#CCN1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000490742387 332112020 /nfs/dbraw/zinc/11/20/20/332112020.db2.gz WZUWYEAGWHYFSD-UHFFFAOYSA-N 1 2 274.364 1.455 20 30 CDEDLO C#CCNC(=O)[C@@H](C)O[NH+]=C(N)Cc1ccccc1C ZINC000490760181 332112990 /nfs/dbraw/zinc/11/29/90/332112990.db2.gz JZGYTYITDXOZIA-GFCCVEGCSA-N 1 2 273.336 1.174 20 30 CDEDLO C#CC[N@@H+](CCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000490841408 332119556 /nfs/dbraw/zinc/11/95/56/332119556.db2.gz UJJDLOOHVJRZSO-INIZCTEOSA-N 1 2 291.416 1.660 20 30 CDEDLO C#CC[N@H+](CCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000490841408 332119557 /nfs/dbraw/zinc/11/95/57/332119557.db2.gz UJJDLOOHVJRZSO-INIZCTEOSA-N 1 2 291.416 1.660 20 30 CDEDLO C#CCn1ccc(CN(CC)C(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000491153584 332157406 /nfs/dbraw/zinc/15/74/06/332157406.db2.gz BAPJBVMZRDBFIG-WAYWQWQTSA-N 1 2 283.335 1.301 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@H](NC(=O)OC(C)(C)C)CC1=O ZINC000491252939 332174857 /nfs/dbraw/zinc/17/48/57/332174857.db2.gz KPZCCSTYFUAQKV-NWDGAFQWSA-N 1 2 295.383 1.023 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@H](NC(=O)OC(C)(C)C)CC1=O ZINC000491252939 332174858 /nfs/dbraw/zinc/17/48/58/332174858.db2.gz KPZCCSTYFUAQKV-NWDGAFQWSA-N 1 2 295.383 1.023 20 30 CDEDLO C#CCN(CC#N)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000491339595 332193180 /nfs/dbraw/zinc/19/31/80/332193180.db2.gz RCUGKASVPWXCNB-OAHLLOKOSA-N 1 2 296.374 1.473 20 30 CDEDLO C#CCN(CCc1cc[nH+]cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000491495815 332222922 /nfs/dbraw/zinc/22/29/22/332222922.db2.gz LZHQQAGYFLMUIV-HNNXBMFYSA-N 1 2 292.404 1.055 20 30 CDEDLO C#CC[N@@H+](CCc1ccncc1C)[C@H]1CCS(=O)(=O)C1 ZINC000491495815 332222923 /nfs/dbraw/zinc/22/29/23/332222923.db2.gz LZHQQAGYFLMUIV-HNNXBMFYSA-N 1 2 292.404 1.055 20 30 CDEDLO C#CC[N@H+](CCc1ccncc1C)[C@H]1CCS(=O)(=O)C1 ZINC000491495815 332222925 /nfs/dbraw/zinc/22/29/25/332222925.db2.gz LZHQQAGYFLMUIV-HNNXBMFYSA-N 1 2 292.404 1.055 20 30 CDEDLO C#C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)c1ccc(F)cc1 ZINC000491630067 332252876 /nfs/dbraw/zinc/25/28/76/332252876.db2.gz NOHDMZAJFQOQFC-CQSZACIVSA-N 1 2 274.339 1.958 20 30 CDEDLO C#CC[N@@H+](CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000491683144 332285606 /nfs/dbraw/zinc/28/56/06/332285606.db2.gz WVTZQMDKKASEDL-GFCCVEGCSA-N 1 2 275.439 1.250 20 30 CDEDLO C#CC[N@H+](CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000491683144 332285607 /nfs/dbraw/zinc/28/56/07/332285607.db2.gz WVTZQMDKKASEDL-GFCCVEGCSA-N 1 2 275.439 1.250 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccncc2)n1 ZINC000491747156 332324424 /nfs/dbraw/zinc/32/44/24/332324424.db2.gz PHCAUWZWYJXMIR-UHFFFAOYSA-N 1 2 284.363 1.560 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccncc2)n1 ZINC000491747156 332324426 /nfs/dbraw/zinc/32/44/26/332324426.db2.gz PHCAUWZWYJXMIR-UHFFFAOYSA-N 1 2 284.363 1.560 20 30 CDEDLO C#CC[N@@H+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)C1CC1 ZINC000491765475 332333926 /nfs/dbraw/zinc/33/39/26/332333926.db2.gz CCAVDENPLSLLGQ-GJZGRUSLSA-N 1 2 276.380 1.254 20 30 CDEDLO C#CC[N@H+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)C1CC1 ZINC000491765475 332333927 /nfs/dbraw/zinc/33/39/27/332333927.db2.gz CCAVDENPLSLLGQ-GJZGRUSLSA-N 1 2 276.380 1.254 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H]1CCCNC1=O ZINC000491795947 332354871 /nfs/dbraw/zinc/35/48/71/332354871.db2.gz YERQINKAHWXQQM-AWEZNQCLSA-N 1 2 260.312 1.540 20 30 CDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H]1CCCNC1=O ZINC000491795947 332354872 /nfs/dbraw/zinc/35/48/72/332354872.db2.gz YERQINKAHWXQQM-AWEZNQCLSA-N 1 2 260.312 1.540 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1c(F)cccc1F ZINC000493818432 332455259 /nfs/dbraw/zinc/45/52/59/332455259.db2.gz IWDIYCAUEIYVDX-KIUWMYQTSA-N 1 2 293.317 1.938 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC(F)(C#N)CC1 ZINC000505766309 332751781 /nfs/dbraw/zinc/75/17/81/332751781.db2.gz NDXFDTNBVQPCGR-NSHDSACASA-N 1 2 279.319 1.309 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccc(Cl)s1 ZINC000517033642 333090446 /nfs/dbraw/zinc/09/04/46/333090446.db2.gz LBFGHIVFTVEDDP-LBPRGKRZSA-N 1 2 285.800 1.904 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194734736 333276768 /nfs/dbraw/zinc/27/67/68/333276768.db2.gz WASINCPUKDQDAX-QLFBSQMISA-N 1 2 298.427 1.535 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194734736 333276770 /nfs/dbraw/zinc/27/67/70/333276770.db2.gz WASINCPUKDQDAX-QLFBSQMISA-N 1 2 298.427 1.535 20 30 CDEDLO CC1(C#N)CC[NH+](CC(=O)NCC(F)(F)F)CC1 ZINC000227352945 333281330 /nfs/dbraw/zinc/28/13/30/333281330.db2.gz ULRYIZMWMDAOBY-UHFFFAOYSA-N 1 2 263.263 1.291 20 30 CDEDLO CC[C@](C)(C#N)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523281517 333313923 /nfs/dbraw/zinc/31/39/23/333313923.db2.gz SUXZMJODIQPPIU-CYBMUJFWSA-N 1 2 270.296 1.084 20 30 CDEDLO CCC(C#N)(CC)C(=O)N1CC[NH+](CCOC)CC1 ZINC000528547794 333445727 /nfs/dbraw/zinc/44/57/27/333445727.db2.gz DPDJGEIYSGNPNW-UHFFFAOYSA-N 1 2 267.373 1.107 20 30 CDEDLO C[C@@H](C#N)CNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000543805807 333900739 /nfs/dbraw/zinc/90/07/39/333900739.db2.gz PRSGSZMWYAUHAK-ZDUSSCGKSA-N 1 2 287.367 1.068 20 30 CDEDLO C=CCOCCC[N@H+]1CCSC[C@@H]1C(=O)OCC ZINC000547765858 334115700 /nfs/dbraw/zinc/11/57/00/334115700.db2.gz XTAADJFPZLEPQF-GFCCVEGCSA-N 1 2 273.398 1.560 20 30 CDEDLO C=CCOCCC[N@@H+]1CCSC[C@@H]1C(=O)OCC ZINC000547765858 334115701 /nfs/dbraw/zinc/11/57/01/334115701.db2.gz XTAADJFPZLEPQF-GFCCVEGCSA-N 1 2 273.398 1.560 20 30 CDEDLO CC[C@H]([NH2+]CCC#N)c1cccc(S(N)(=O)=O)c1 ZINC000576578989 335220979 /nfs/dbraw/zinc/22/09/79/335220979.db2.gz VYHIYKBKFPYBJC-LBPRGKRZSA-N 1 2 267.354 1.288 20 30 CDEDLO Cn1cc[nH+]c1[C@H](CC(=O)NC1(C#N)CC1)C(F)(F)F ZINC000577526578 335364884 /nfs/dbraw/zinc/36/48/84/335364884.db2.gz CJEHNCBJGNONQD-QMMMGPOBSA-N 1 2 286.257 1.628 20 30 CDEDLO N#CCC1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000581586188 336107125 /nfs/dbraw/zinc/10/71/25/336107125.db2.gz TZNGZGSNKZTZHZ-NSHDSACASA-N 1 2 258.325 1.256 20 30 CDEDLO CCC(C)(C)OCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000581827179 336148357 /nfs/dbraw/zinc/14/83/57/336148357.db2.gz GSVCZJFUPCAQIT-ZDUSSCGKSA-N 1 2 255.362 1.152 20 30 CDEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@H](CC)CCC)C1 ZINC001755337772 1159836024 /nfs/dbraw/zinc/83/60/24/1159836024.db2.gz SXLBSEDMMDDCDW-CQSZACIVSA-N 1 2 282.428 1.942 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[C@H](C)SC)C1 ZINC001753649639 1159869566 /nfs/dbraw/zinc/86/95/66/1159869566.db2.gz GKPIJWBBKMVHKQ-STQMWFEESA-N 1 2 286.441 1.521 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C[C@H](C)SC)C1 ZINC001753649639 1159869577 /nfs/dbraw/zinc/86/95/77/1159869577.db2.gz GKPIJWBBKMVHKQ-STQMWFEESA-N 1 2 286.441 1.521 20 30 CDEDLO C=CCCn1cc(C[NH+]2CC(C)(COC)C2)nn1 ZINC000668233642 482216621 /nfs/dbraw/zinc/21/66/21/482216621.db2.gz GIXNIZJQXDFSQU-UHFFFAOYSA-N 1 2 250.346 1.323 20 30 CDEDLO COCC#CC[NH+]1CCN(Cc2csc(C)n2)CC1 ZINC000677132628 482468758 /nfs/dbraw/zinc/46/87/58/482468758.db2.gz JYDMGRSKSIZVJX-UHFFFAOYSA-N 1 2 279.409 1.219 20 30 CDEDLO C=CCN(C(=O)Nc1cc[nH+]cc1C)[C@H](C)COC ZINC000666493421 482736384 /nfs/dbraw/zinc/73/63/84/482736384.db2.gz DEGZKBVBQCSCDA-GFCCVEGCSA-N 1 2 263.341 1.867 20 30 CDEDLO C=CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000055044017 482932444 /nfs/dbraw/zinc/93/24/44/482932444.db2.gz LJISWFHYTADZGR-CYBMUJFWSA-N 1 2 270.336 1.995 20 30 CDEDLO C[C@H](O)C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330302877 534094905 /nfs/dbraw/zinc/09/49/05/534094905.db2.gz OSMUIRHGAIVCQJ-XQQFMLRXSA-N 1 2 292.383 1.347 20 30 CDEDLO C=CCOCC[NH+]1CC(NC(=O)[C@H](C)C(C)C)C1 ZINC001753390689 1185182256 /nfs/dbraw/zinc/18/22/56/1185182256.db2.gz XFZOCKXJXSIINV-GFCCVEGCSA-N 1 2 254.374 1.282 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)C#N)C1 ZINC001753452615 1185215613 /nfs/dbraw/zinc/21/56/13/1185215613.db2.gz BOKXYCUHJJNDFT-ZYHUDNBSSA-N 1 2 269.776 1.821 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)C#N)C1 ZINC001753452615 1185215619 /nfs/dbraw/zinc/21/56/19/1185215619.db2.gz BOKXYCUHJJNDFT-ZYHUDNBSSA-N 1 2 269.776 1.821 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001113243145 1162138874 /nfs/dbraw/zinc/13/88/74/1162138874.db2.gz FNOOTXQTQGJQAN-HNNXBMFYSA-N 1 2 290.411 1.630 20 30 CDEDLO CC(C)(C#N)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000055116069 518505929 /nfs/dbraw/zinc/50/59/29/518505929.db2.gz JQLSYQRZXDFUGJ-UHFFFAOYSA-N 1 2 272.352 1.848 20 30 CDEDLO N#CC1(F)CC[NH+](Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000353457990 534567290 /nfs/dbraw/zinc/56/72/90/534567290.db2.gz BGWBBGSMGWKPRJ-UHFFFAOYSA-N 1 2 289.310 1.845 20 30 CDEDLO N#CCC[N@H+](CC1CC1)C[C@@H]1CCS(=O)(=O)C1 ZINC000331857737 534641323 /nfs/dbraw/zinc/64/13/23/534641323.db2.gz IGUDCUFLYHRCFK-LBPRGKRZSA-N 1 2 256.371 1.047 20 30 CDEDLO N#CCC[N@@H+](CC1CC1)C[C@@H]1CCS(=O)(=O)C1 ZINC000331857737 534641332 /nfs/dbraw/zinc/64/13/32/534641332.db2.gz IGUDCUFLYHRCFK-LBPRGKRZSA-N 1 2 256.371 1.047 20 30 CDEDLO N#Cc1cc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)ccn1 ZINC000337666582 526540762 /nfs/dbraw/zinc/54/07/62/526540762.db2.gz SXIJVUGKXMNHJI-HNNXBMFYSA-N 1 2 293.330 1.135 20 30 CDEDLO C=CCC1(C(=O)NCC[N@@H+]2CCO[C@@H](CC)C2)CCC1 ZINC000347607398 527052838 /nfs/dbraw/zinc/05/28/38/527052838.db2.gz BNZYLNTVRLTJGD-AWEZNQCLSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CCC1(C(=O)NCC[N@H+]2CCO[C@@H](CC)C2)CCC1 ZINC000347607398 527052844 /nfs/dbraw/zinc/05/28/44/527052844.db2.gz BNZYLNTVRLTJGD-AWEZNQCLSA-N 1 2 280.412 1.960 20 30 CDEDLO CC[N@H+](CC(=O)NCC#CCO)Cc1ccccc1Cl ZINC000352182750 527905406 /nfs/dbraw/zinc/90/54/06/527905406.db2.gz VIHREXLCKGAHEZ-UHFFFAOYSA-N 1 2 294.782 1.274 20 30 CDEDLO CC[N@@H+](CC(=O)NCC#CCO)Cc1ccccc1Cl ZINC000352182750 527905411 /nfs/dbraw/zinc/90/54/11/527905411.db2.gz VIHREXLCKGAHEZ-UHFFFAOYSA-N 1 2 294.782 1.274 20 30 CDEDLO CCC1(CNC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330178430 529032767 /nfs/dbraw/zinc/03/27/67/529032767.db2.gz DQZWRMCFQFJPGX-LLVKDONJSA-N 1 2 262.357 1.892 20 30 CDEDLO CCC1(C[NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330178430 529032769 /nfs/dbraw/zinc/03/27/69/529032769.db2.gz DQZWRMCFQFJPGX-LLVKDONJSA-N 1 2 262.357 1.892 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(OCC(N)=O)cc1 ZINC000725796624 574436964 /nfs/dbraw/zinc/43/69/64/574436964.db2.gz NSPDFYFXEJDKQH-NSHDSACASA-N 1 2 261.325 1.142 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(OCC(N)=O)cc1 ZINC000725796624 574436965 /nfs/dbraw/zinc/43/69/65/574436965.db2.gz NSPDFYFXEJDKQH-NSHDSACASA-N 1 2 261.325 1.142 20 30 CDEDLO CC1=CC(=NNC(=S)NCC[NH+]2CCOCC2)CCC1 ZINC000727254769 574558400 /nfs/dbraw/zinc/55/84/00/574558400.db2.gz XPJDHWKUAWGANB-UHFFFAOYSA-N 1 2 296.440 1.269 20 30 CDEDLO C#Cc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cn1 ZINC000728861760 574662370 /nfs/dbraw/zinc/66/23/70/574662370.db2.gz OAKSKYDGIHYNLV-UHFFFAOYSA-N 1 2 298.371 1.760 20 30 CDEDLO C#Cc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cn1 ZINC000728861760 574662371 /nfs/dbraw/zinc/66/23/71/574662371.db2.gz OAKSKYDGIHYNLV-UHFFFAOYSA-N 1 2 298.371 1.760 20 30 CDEDLO N#Cc1ccccc1C=CC(=O)NCc1c[nH+]c[nH]1 ZINC000754296393 575012266 /nfs/dbraw/zinc/01/22/66/575012266.db2.gz PKVPDJPUJPZGGW-AATRIKPKSA-N 1 2 252.277 1.611 20 30 CDEDLO N#Cc1ccccc1C=CC(=O)NCc1c[nH]c[nH+]1 ZINC000754296393 575012269 /nfs/dbraw/zinc/01/22/69/575012269.db2.gz PKVPDJPUJPZGGW-AATRIKPKSA-N 1 2 252.277 1.611 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)O[C@@H]2CCCCC2=O)CC1 ZINC000772110998 575661987 /nfs/dbraw/zinc/66/19/87/575661987.db2.gz XVXYWGYFBNSYHP-CQSZACIVSA-N 1 2 263.337 1.387 20 30 CDEDLO Cc1cc(N[NH+]=Cc2cnc(N3CCCC3)nc2)ncn1 ZINC000731935776 575073122 /nfs/dbraw/zinc/07/31/22/575073122.db2.gz QXXJYDVRCBHNER-UHFFFAOYSA-N 1 2 283.339 1.621 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)[C@@H](CC)OC2CCCC2)CC1 ZINC000733162737 575102473 /nfs/dbraw/zinc/10/24/73/575102473.db2.gz RZICBNVNWAQPPT-OAHLLOKOSA-N 1 2 278.396 1.502 20 30 CDEDLO COCC#CC[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000772323665 575685440 /nfs/dbraw/zinc/68/54/40/575685440.db2.gz JHJKBVXJGZFRMC-ZIAGYGMSSA-N 1 2 296.411 1.966 20 30 CDEDLO CCOCCON=Cc1c(-n2cc[nH+]c2)nc2ccccn12 ZINC000774440988 575205155 /nfs/dbraw/zinc/20/51/55/575205155.db2.gz ZKURKIWGIXVGSC-UHFFFAOYSA-N 1 2 299.334 1.907 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cc2c(cc1OC)OCO2 ZINC000761201056 576558587 /nfs/dbraw/zinc/55/85/87/576558587.db2.gz CQYFGPUFJVIXKJ-UHFFFAOYSA-N 1 2 271.316 1.882 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cc2c(cc1OC)OCO2 ZINC000761201056 576558588 /nfs/dbraw/zinc/55/85/88/576558588.db2.gz CQYFGPUFJVIXKJ-UHFFFAOYSA-N 1 2 271.316 1.882 20 30 CDEDLO COc1cc(F)ccc1N[NH+]=Cc1cnc(N)nc1 ZINC000761890643 576603950 /nfs/dbraw/zinc/60/39/50/576603950.db2.gz PZYWLOLLMCEHIR-UHFFFAOYSA-N 1 2 261.260 1.653 20 30 CDEDLO CCOc1cccc(/C=[NH+]/Cc2nnnn2C2CC2)c1O ZINC000743044801 576625595 /nfs/dbraw/zinc/62/55/95/576625595.db2.gz RINZBIYYYBPTND-OVCLIPMQSA-N 1 2 287.323 1.731 20 30 CDEDLO Cc1ccc(CCCN=Nc2nc3[nH][nH]cc-3c(=O)n2)c[nH+]1 ZINC000774385909 575202034 /nfs/dbraw/zinc/20/20/34/575202034.db2.gz UAAVZBHKKSXKJF-UHFFFAOYSA-N 1 2 297.322 1.166 20 30 CDEDLO COc1cccc(/C=[NH+]/Cc2nnnn2CC2CC2)c1O ZINC000769718521 575377725 /nfs/dbraw/zinc/37/77/25/575377725.db2.gz QSFDZOCVQPXRHJ-VIZOYTHASA-N 1 2 287.323 1.416 20 30 CDEDLO C=CCN(Cc1[nH]cc[nH+]1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735426608 575467316 /nfs/dbraw/zinc/46/73/16/575467316.db2.gz STEKLVFAEUXGID-UHFFFAOYSA-N 1 2 295.350 1.778 20 30 CDEDLO COCC#CC[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000772323665 575685437 /nfs/dbraw/zinc/68/54/37/575685437.db2.gz JHJKBVXJGZFRMC-ZIAGYGMSSA-N 1 2 296.411 1.966 20 30 CDEDLO C#C[C@H](NC(=O)Cc1cn2ccccc2[nH+]1)[C@@H]1CCCO1 ZINC000772883334 575763123 /nfs/dbraw/zinc/76/31/23/575763123.db2.gz ZIOCCVUHACINTB-KBPBESRZSA-N 1 2 283.331 1.174 20 30 CDEDLO C#CCC(C)(C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000765123477 575988873 /nfs/dbraw/zinc/98/88/73/575988873.db2.gz QNTAMQAYCMMQMD-UHFFFAOYSA-N 1 2 264.369 1.017 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCC(=O)C2CC2)c1 ZINC000767347561 576182043 /nfs/dbraw/zinc/18/20/43/576182043.db2.gz ARDOWBPTIHBJRH-UHFFFAOYSA-N 1 2 284.359 1.907 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCC(=O)C2CC2)c1 ZINC000767347561 576182046 /nfs/dbraw/zinc/18/20/46/576182046.db2.gz ARDOWBPTIHBJRH-UHFFFAOYSA-N 1 2 284.359 1.907 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2c(O)cccc2Cl)CC1 ZINC000760431711 576484454 /nfs/dbraw/zinc/48/44/54/576484454.db2.gz ZQMZVWIRSNMZLV-UHFFFAOYSA-N 1 2 278.739 1.437 20 30 CDEDLO Cc1ncccc1CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761847709 576597117 /nfs/dbraw/zinc/59/71/17/576597117.db2.gz VEXYWMFZQPWLKC-UHFFFAOYSA-N 1 2 279.307 1.812 20 30 CDEDLO COCC(C)(C)CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761860108 576598474 /nfs/dbraw/zinc/59/84/74/576598474.db2.gz GRMAYROACRDGQZ-UHFFFAOYSA-N 1 2 274.328 1.733 20 30 CDEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)[C@H]1CCCOC1 ZINC000761861515 576599176 /nfs/dbraw/zinc/59/91/76/576599176.db2.gz ZMJXPCUWJHQDJM-LBPRGKRZSA-N 1 2 286.339 1.877 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCCO)cc1 ZINC000763055640 576705002 /nfs/dbraw/zinc/70/50/02/576705002.db2.gz NZEHJUKLRNFHJO-HNNXBMFYSA-N 1 2 288.347 1.094 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCCO)cc1 ZINC000763055640 576705003 /nfs/dbraw/zinc/70/50/03/576705003.db2.gz NZEHJUKLRNFHJO-HNNXBMFYSA-N 1 2 288.347 1.094 20 30 CDEDLO COc1nccnc1N=NCc1cccc2[nH+]ccn21 ZINC000763410582 576735300 /nfs/dbraw/zinc/73/53/00/576735300.db2.gz BMCDJRKCEZUVGL-UHFFFAOYSA-N 1 2 268.280 1.579 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]Nc1cccc(F)c1 ZINC000747632743 576877775 /nfs/dbraw/zinc/87/77/75/576877775.db2.gz HXVOGGJHPZYPIP-UHFFFAOYSA-N 1 2 261.260 1.653 20 30 CDEDLO Cc1[nH]c[nH+]c1C=NNC(=S)Nc1ccccn1 ZINC000755802270 576962106 /nfs/dbraw/zinc/96/21/06/576962106.db2.gz MCQVZFSHASCHLL-UHFFFAOYSA-N 1 2 260.326 1.434 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C)cc2C(F)(F)F)CC1 ZINC000750459656 576989132 /nfs/dbraw/zinc/98/91/32/576989132.db2.gz YGYPDHSDVHFCRL-UHFFFAOYSA-N 1 2 284.285 1.559 20 30 CDEDLO O=[N+]([O-])c1ccc(O)cc1C=NNCC[NH+]1CCCCC1 ZINC000751130319 577026910 /nfs/dbraw/zinc/02/69/10/577026910.db2.gz IIEVNKFDPPVJNM-UHFFFAOYSA-N 1 2 292.339 1.710 20 30 CDEDLO COC(=O)c1ccc(N=NCc2[nH]c[nH+]c2C)nc1 ZINC000758125864 577073008 /nfs/dbraw/zinc/07/30/08/577073008.db2.gz CAQFVVMWIKRHLM-UHFFFAOYSA-N 1 2 259.269 1.346 20 30 CDEDLO Cc1noc([C@@H]2CCC[N@H+](Cn3cccc(C#N)c3=O)C2)n1 ZINC000758194550 577079774 /nfs/dbraw/zinc/07/97/74/577079774.db2.gz SJFAFWAJGGVXKM-CYBMUJFWSA-N 1 2 299.334 1.249 20 30 CDEDLO Cc1noc([C@@H]2CCC[N@@H+](Cn3cccc(C#N)c3=O)C2)n1 ZINC000758194550 577079776 /nfs/dbraw/zinc/07/97/76/577079776.db2.gz SJFAFWAJGGVXKM-CYBMUJFWSA-N 1 2 299.334 1.249 20 30 CDEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000824034464 607831558 /nfs/dbraw/zinc/83/15/58/607831558.db2.gz KEKCSEPKOICVIA-NSHDSACASA-N 1 2 282.351 1.991 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000824034464 607831559 /nfs/dbraw/zinc/83/15/59/607831559.db2.gz KEKCSEPKOICVIA-NSHDSACASA-N 1 2 282.351 1.991 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC000950546573 612991485 /nfs/dbraw/zinc/99/14/85/612991485.db2.gz APASSSJYGWTQSR-HIFRSBDPSA-N 1 2 278.396 1.358 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2csc(C)n2)C1 ZINC000951372284 612992858 /nfs/dbraw/zinc/99/28/58/612992858.db2.gz RYZHLLBVJMXINE-UHFFFAOYSA-N 1 2 277.393 1.621 20 30 CDEDLO C#CCOc1ncccc1C(=O)N1CC[NH+](CC(=C)C)CC1 ZINC000957375335 613008304 /nfs/dbraw/zinc/00/83/04/613008304.db2.gz OLBNSAIRAHYXOS-UHFFFAOYSA-N 1 2 299.374 1.428 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC3(C)C)C2)C1 ZINC000972510784 613211551 /nfs/dbraw/zinc/21/15/51/613211551.db2.gz PUWJFPNSRQPOGL-YOEHRIQHSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC3(C)C)C2)C1 ZINC000972510784 613211553 /nfs/dbraw/zinc/21/15/53/613211553.db2.gz PUWJFPNSRQPOGL-YOEHRIQHSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)/C=C(/C)C3CC3)C2)C1 ZINC000972279193 613211905 /nfs/dbraw/zinc/21/19/05/613211905.db2.gz NLLLNFJMCOSMAM-VWILAXROSA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)/C=C(/C)C3CC3)C2)C1 ZINC000972279193 613211907 /nfs/dbraw/zinc/21/19/07/613211907.db2.gz NLLLNFJMCOSMAM-VWILAXROSA-N 1 2 288.391 1.279 20 30 CDEDLO C#Cc1cncc(C(=O)N[C@H]2C[N@@H+](CCF)CC[C@H]2C)c1 ZINC000968317009 613222378 /nfs/dbraw/zinc/22/23/78/613222378.db2.gz HUXULLGIOCECRX-DOMZBBRYSA-N 1 2 289.354 1.473 20 30 CDEDLO C#Cc1cncc(C(=O)N[C@H]2C[N@H+](CCF)CC[C@H]2C)c1 ZINC000968317009 613222380 /nfs/dbraw/zinc/22/23/80/613222380.db2.gz HUXULLGIOCECRX-DOMZBBRYSA-N 1 2 289.354 1.473 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nc(C)c(C)s2)C(C)(C)C1 ZINC000977620172 613284875 /nfs/dbraw/zinc/28/48/75/613284875.db2.gz VZKXKXLEHLQNSF-GFCCVEGCSA-N 1 2 291.420 1.833 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nc(C)c(C)s2)C(C)(C)C1 ZINC000977620172 613284877 /nfs/dbraw/zinc/28/48/77/613284877.db2.gz VZKXKXLEHLQNSF-GFCCVEGCSA-N 1 2 291.420 1.833 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc3n(n2)CCC3)C1 ZINC000950476271 613296464 /nfs/dbraw/zinc/29/64/64/613296464.db2.gz COWPOXLJSVEACX-UHFFFAOYSA-N 1 2 288.395 1.552 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnc3n2CCC3)C1 ZINC000950534063 613297481 /nfs/dbraw/zinc/29/74/81/613297481.db2.gz PXWYIKXTTNUFFT-UHFFFAOYSA-N 1 2 288.395 1.552 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnc3[nH]cnc3c2)C1 ZINC000950438010 613297514 /nfs/dbraw/zinc/29/75/14/613297514.db2.gz PFYWNMKQVRGRJU-UHFFFAOYSA-N 1 2 299.378 1.680 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2c[nH]nc2C(C)C)CC1 ZINC000949055898 613320147 /nfs/dbraw/zinc/32/01/47/613320147.db2.gz QEFOSQNGIMUBTG-UHFFFAOYSA-N 1 2 276.384 1.867 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000957621874 613320580 /nfs/dbraw/zinc/32/05/80/613320580.db2.gz PCOKEENSPPKIOE-UHFFFAOYSA-N 1 2 287.363 1.119 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2conc2CC)CC1 ZINC000950341800 613321635 /nfs/dbraw/zinc/32/16/35/613321635.db2.gz BQVDFSDMMIJRQC-UHFFFAOYSA-N 1 2 263.341 1.571 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CCc2ncc[nH]2)C1 ZINC000971433082 613367966 /nfs/dbraw/zinc/36/79/66/613367966.db2.gz ORLMHIJFDDAWNO-GFCCVEGCSA-N 1 2 296.802 1.628 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CCc2ncc[nH]2)C1 ZINC000971433082 613367967 /nfs/dbraw/zinc/36/79/67/613367967.db2.gz ORLMHIJFDDAWNO-GFCCVEGCSA-N 1 2 296.802 1.628 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccnnc2C)C1 ZINC000970060621 613371722 /nfs/dbraw/zinc/37/17/22/613371722.db2.gz QKTBKCUZNYQHQD-SNVBAGLBSA-N 1 2 294.786 1.588 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(CC)n[nH]2)C1 ZINC000969325156 613371861 /nfs/dbraw/zinc/37/18/61/613371861.db2.gz ZIYFAELLVISXIP-SNVBAGLBSA-N 1 2 296.802 1.775 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccon2)C1 ZINC000969330195 613372313 /nfs/dbraw/zinc/37/23/13/613372313.db2.gz MQEPHTPORXLUQG-VIFPVBQESA-N 1 2 269.732 1.477 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CC2(O)CCC2)CC1 ZINC000981124472 613373391 /nfs/dbraw/zinc/37/33/91/613373391.db2.gz OTAIPMZXCOYCEM-UHFFFAOYSA-N 1 2 286.803 1.578 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CC2(O)CCC2)CC1 ZINC000981124472 613373392 /nfs/dbraw/zinc/37/33/92/613373392.db2.gz OTAIPMZXCOYCEM-UHFFFAOYSA-N 1 2 286.803 1.578 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CO[C@@H](C)C2)CC1 ZINC000981487776 613373531 /nfs/dbraw/zinc/37/35/31/613373531.db2.gz UMWLDKKVOYDHQN-STQMWFEESA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CO[C@@H](C)C2)CC1 ZINC000981487776 613373532 /nfs/dbraw/zinc/37/35/32/613373532.db2.gz UMWLDKKVOYDHQN-STQMWFEESA-N 1 2 286.803 1.698 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2ocnc2CC)CC1 ZINC000981922336 613557230 /nfs/dbraw/zinc/55/72/30/613557230.db2.gz ZCXGJMLPPHNWMD-UHFFFAOYSA-N 1 2 275.352 1.408 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2ocnc2CC)CC1 ZINC000981922336 613557233 /nfs/dbraw/zinc/55/72/33/613557233.db2.gz ZCXGJMLPPHNWMD-UHFFFAOYSA-N 1 2 275.352 1.408 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC(C)C)C2)C1 ZINC000972229630 613570765 /nfs/dbraw/zinc/57/07/65/613570765.db2.gz XIKIRSFWUQDYEV-MRXNPFEDSA-N 1 2 278.396 1.359 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)CC(C)C)C2)C1 ZINC000972229630 613570766 /nfs/dbraw/zinc/57/07/66/613570766.db2.gz XIKIRSFWUQDYEV-MRXNPFEDSA-N 1 2 278.396 1.359 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2C[C@@]2(C)C(C)C)CC1 ZINC000956978903 613713464 /nfs/dbraw/zinc/71/34/64/613713464.db2.gz GHPNUNFJLKZSPH-HIFRSBDPSA-N 1 2 250.386 1.999 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2nccc3occc32)CC1 ZINC000949414331 613719053 /nfs/dbraw/zinc/71/90/53/613719053.db2.gz VQADXDPJGCOOCX-UHFFFAOYSA-N 1 2 271.320 1.772 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)CC)C2)C1 ZINC000972269422 613726303 /nfs/dbraw/zinc/72/63/03/613726303.db2.gz NCRUQLMGNLXOAI-UKRRQHHQSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)CC)C2)C1 ZINC000972269422 613726306 /nfs/dbraw/zinc/72/63/06/613726306.db2.gz NCRUQLMGNLXOAI-UKRRQHHQSA-N 1 2 266.385 1.522 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891715466 617552747 /nfs/dbraw/zinc/55/27/47/617552747.db2.gz DLCCMVRNXJEJIB-IJLUTSLNSA-N 1 2 256.321 1.712 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891715466 617552749 /nfs/dbraw/zinc/55/27/49/617552749.db2.gz DLCCMVRNXJEJIB-IJLUTSLNSA-N 1 2 256.321 1.712 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCCC3(C2)OCCO3)cs1 ZINC000893426556 617871037 /nfs/dbraw/zinc/87/10/37/617871037.db2.gz FRTOALATKFKMDG-UHFFFAOYSA-N 1 2 264.350 1.959 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCCC3(C2)OCCO3)cs1 ZINC000893426556 617871042 /nfs/dbraw/zinc/87/10/42/617871042.db2.gz FRTOALATKFKMDG-UHFFFAOYSA-N 1 2 264.350 1.959 20 30 CDEDLO C[C@@H](CC(=O)OCc1cc(C#N)ccn1)n1cc[nH+]c1 ZINC000909411416 619100991 /nfs/dbraw/zinc/10/09/91/619100991.db2.gz DUGXDUFGCDRODZ-NSHDSACASA-N 1 2 270.292 1.844 20 30 CDEDLO Cc1[nH]c(CNC(=O)c2sccc2C#N)[nH+]c1C ZINC000896921506 620310589 /nfs/dbraw/zinc/31/05/89/620310589.db2.gz NXUIYAZKNDOZGI-UHFFFAOYSA-N 1 2 260.322 1.890 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000896964112 620326434 /nfs/dbraw/zinc/32/64/34/620326434.db2.gz OFJWUZWPZHOJRA-INIZCTEOSA-N 1 2 284.359 1.215 20 30 CDEDLO Cc1ccc(C(=O)/C=C/C(=O)N2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000900846152 623561781 /nfs/dbraw/zinc/56/17/81/623561781.db2.gz FVUZMJFVDXDXDL-VFNNOXKTSA-N 1 2 286.375 1.896 20 30 CDEDLO Cc1ccc(C(=O)/C=C/C(=O)N2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000900846152 623561789 /nfs/dbraw/zinc/56/17/89/623561789.db2.gz FVUZMJFVDXDXDL-VFNNOXKTSA-N 1 2 286.375 1.896 20 30 CDEDLO C#C[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)[C@@H]1CCCO1 ZINC000907485906 627686520 /nfs/dbraw/zinc/68/65/20/627686520.db2.gz GVRRBIAPPRNPKT-KGLIPLIRSA-N 1 2 272.348 1.917 20 30 CDEDLO C=CCC(CC=C)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913469420 630497983 /nfs/dbraw/zinc/49/79/83/630497983.db2.gz ZITVAVWZZLPAAA-OAHLLOKOSA-N 1 2 288.395 1.661 20 30 CDEDLO NC(Cc1cccnc1)=[NH+]OCc1nc(C2CC2)no1 ZINC000156688788 630567037 /nfs/dbraw/zinc/56/70/37/630567037.db2.gz CHDVSDWTPCKDEA-UHFFFAOYSA-N 1 2 273.296 1.374 20 30 CDEDLO CCN(CCO)N=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000842534773 630686881 /nfs/dbraw/zinc/68/68/81/630686881.db2.gz XYCJODVNCZVSOT-UHFFFAOYSA-N 1 2 258.325 1.520 20 30 CDEDLO C[C@H](NC(=O)N1CCC[C@H](C#N)C1)[C@H](C)[NH+]1CCOCC1 ZINC000917015411 632126411 /nfs/dbraw/zinc/12/64/11/632126411.db2.gz HZTNDVMNAUXFFI-MELADBBJSA-N 1 2 294.399 1.041 20 30 CDEDLO N#CCOc1ccccc1C(=O)NCCCCn1cc[nH+]c1 ZINC000919927723 632696541 /nfs/dbraw/zinc/69/65/41/632696541.db2.gz ZQJNNTIATQXYJJ-UHFFFAOYSA-N 1 2 298.346 1.996 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cscn1 ZINC001017401569 682390633 /nfs/dbraw/zinc/39/06/33/682390633.db2.gz LGUIKELMLSIOEB-PHIMTYICSA-N 1 2 263.366 1.618 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(C2CC2)n1 ZINC001038778642 682824304 /nfs/dbraw/zinc/82/43/04/682824304.db2.gz CWUCRUXAHBLBOP-LLVKDONJSA-N 1 2 261.325 1.542 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(C2CC2)n1 ZINC001038778642 682824305 /nfs/dbraw/zinc/82/43/05/682824305.db2.gz CWUCRUXAHBLBOP-LLVKDONJSA-N 1 2 261.325 1.542 20 30 CDEDLO COCCN(CC#N)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000822287633 682815763 /nfs/dbraw/zinc/81/57/63/682815763.db2.gz UHLSUDAXZSXPGT-UHFFFAOYSA-N 1 2 258.281 1.175 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(-c2ccccc2)n1 ZINC001038930235 679703720 /nfs/dbraw/zinc/70/37/20/679703720.db2.gz ATWBXRHTDUOKMS-CQSZACIVSA-N 1 2 295.342 1.779 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(-c2ccccc2)n1 ZINC001038930235 679703722 /nfs/dbraw/zinc/70/37/22/679703722.db2.gz ATWBXRHTDUOKMS-CQSZACIVSA-N 1 2 295.342 1.779 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC001030768267 679704935 /nfs/dbraw/zinc/70/49/35/679704935.db2.gz BTRRCXMIKCXVQB-UHFFFAOYSA-N 1 2 297.280 1.538 20 30 CDEDLO N#Cc1cc(O)cc(C(=O)OCCCn2cc[nH+]c2)c1 ZINC000811187502 679706014 /nfs/dbraw/zinc/70/60/14/679706014.db2.gz HVQGQQFULJOCBN-UHFFFAOYSA-N 1 2 271.276 1.707 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1CCO[C@@H](COCC)C1 ZINC000862502017 679708184 /nfs/dbraw/zinc/70/81/84/679708184.db2.gz ZRBUBMPDHKXWAJ-MRXNPFEDSA-N 1 2 289.375 1.936 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1CCO[C@@H](COCC)C1 ZINC000862502017 679708186 /nfs/dbraw/zinc/70/81/86/679708186.db2.gz ZRBUBMPDHKXWAJ-MRXNPFEDSA-N 1 2 289.375 1.936 20 30 CDEDLO C[C@H]1CCN(CC#N)C[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000966919573 679717231 /nfs/dbraw/zinc/71/72/31/679717231.db2.gz ZLPWAROIVCMVHH-NHYWBVRUSA-N 1 2 297.362 1.527 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ncn(C)n2)CC[C@@H]1C ZINC001071487378 679723689 /nfs/dbraw/zinc/72/36/89/679723689.db2.gz IQNPWIYCLPXRND-WDEREUQCSA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ncn(C)n2)CC[C@@H]1C ZINC001071487378 679723691 /nfs/dbraw/zinc/72/36/91/679723691.db2.gz IQNPWIYCLPXRND-WDEREUQCSA-N 1 2 297.790 1.150 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C)c1F ZINC001038276099 684116567 /nfs/dbraw/zinc/11/65/67/684116567.db2.gz MEFTYFZAHJWJCA-GFCCVEGCSA-N 1 2 260.312 1.571 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cc(C)n[nH]2)C1 ZINC001010521823 684125664 /nfs/dbraw/zinc/12/56/64/684125664.db2.gz YKDUULRISTVZLL-LLVKDONJSA-N 1 2 282.775 1.204 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc(C)n[nH]2)C1 ZINC001010521823 684125666 /nfs/dbraw/zinc/12/56/66/684125666.db2.gz YKDUULRISTVZLL-LLVKDONJSA-N 1 2 282.775 1.204 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cc(C)[nH]n2)C1 ZINC001010521823 684125670 /nfs/dbraw/zinc/12/56/70/684125670.db2.gz YKDUULRISTVZLL-LLVKDONJSA-N 1 2 282.775 1.204 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc(C)[nH]n2)C1 ZINC001010521823 684125673 /nfs/dbraw/zinc/12/56/73/684125673.db2.gz YKDUULRISTVZLL-LLVKDONJSA-N 1 2 282.775 1.204 20 30 CDEDLO C#CCOc1cccc(NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC000791361849 679755474 /nfs/dbraw/zinc/75/54/74/679755474.db2.gz WVAZSWGOGGUXTF-UHFFFAOYSA-N 1 2 269.304 1.993 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)COC2 ZINC001038803299 679757174 /nfs/dbraw/zinc/75/71/74/679757174.db2.gz ZEWJKPQQJOUDBF-OAHLLOKOSA-N 1 2 270.332 1.154 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)COC2 ZINC001038803299 679757175 /nfs/dbraw/zinc/75/71/75/679757175.db2.gz ZEWJKPQQJOUDBF-OAHLLOKOSA-N 1 2 270.332 1.154 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC000843118329 679765732 /nfs/dbraw/zinc/76/57/32/679765732.db2.gz YAICTXLXQJHGBV-ZLDLUXBVSA-N 1 2 271.320 1.514 20 30 CDEDLO C=C(CO)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000791365543 679769408 /nfs/dbraw/zinc/76/94/08/679769408.db2.gz CBTQDDMVFJQVKN-UHFFFAOYSA-N 1 2 290.363 1.314 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccon1 ZINC001050829382 679778899 /nfs/dbraw/zinc/77/88/99/679778899.db2.gz CGPRBHYHWAVZFN-GFCCVEGCSA-N 1 2 279.340 1.071 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccon1 ZINC001050829382 679778901 /nfs/dbraw/zinc/77/89/01/679778901.db2.gz CGPRBHYHWAVZFN-GFCCVEGCSA-N 1 2 279.340 1.071 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cn2ccc3ccccc32)C1 ZINC001044307252 679779656 /nfs/dbraw/zinc/77/96/56/679779656.db2.gz MHCUQGXBTLNKAM-UHFFFAOYSA-N 1 2 283.375 1.970 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CS[C@@H](C)C1 ZINC000839829107 679783195 /nfs/dbraw/zinc/78/31/95/679783195.db2.gz GNVRSPODKYMVHK-SRVKXCTJSA-N 1 2 252.383 1.094 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CS[C@@H](C)C1 ZINC000839829107 679783196 /nfs/dbraw/zinc/78/31/96/679783196.db2.gz GNVRSPODKYMVHK-SRVKXCTJSA-N 1 2 252.383 1.094 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn[nH]1 ZINC001049347194 679784368 /nfs/dbraw/zinc/78/43/68/679784368.db2.gz RGLNYGKMZRNZEE-STQMWFEESA-N 1 2 294.786 1.841 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn[nH]1 ZINC001049347194 679784370 /nfs/dbraw/zinc/78/43/70/679784370.db2.gz RGLNYGKMZRNZEE-STQMWFEESA-N 1 2 294.786 1.841 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc[nH]n1 ZINC001049347194 679784372 /nfs/dbraw/zinc/78/43/72/679784372.db2.gz RGLNYGKMZRNZEE-STQMWFEESA-N 1 2 294.786 1.841 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc[nH]n1 ZINC001049347194 679784373 /nfs/dbraw/zinc/78/43/73/679784373.db2.gz RGLNYGKMZRNZEE-STQMWFEESA-N 1 2 294.786 1.841 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001035458514 679786530 /nfs/dbraw/zinc/78/65/30/679786530.db2.gz DKPATHHKYCWLSF-FZKCQIBNSA-N 1 2 292.423 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001035458514 679786531 /nfs/dbraw/zinc/78/65/31/679786531.db2.gz DKPATHHKYCWLSF-FZKCQIBNSA-N 1 2 292.423 1.816 20 30 CDEDLO Cc1ccc(NC[C@@H](C)[NH+]2CCN(C)CC2)c(C#N)n1 ZINC000881909036 679786794 /nfs/dbraw/zinc/78/67/94/679786794.db2.gz ZZUYNSJYFRMREE-CYBMUJFWSA-N 1 2 273.384 1.310 20 30 CDEDLO C#CCNC(=O)COc1cc(C)[nH+]c2ccccc21 ZINC000792734624 679788996 /nfs/dbraw/zinc/78/89/96/679788996.db2.gz IFCBBHKQHZTJEX-UHFFFAOYSA-N 1 2 254.289 1.671 20 30 CDEDLO C#CC[C@H](NCc1c[nH+]c2ccc(C)cn12)C(=O)OC ZINC000839169708 679800255 /nfs/dbraw/zinc/80/02/55/679800255.db2.gz UWUQIADQHWKRAV-ZDUSSCGKSA-N 1 2 271.320 1.297 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccco2)C1 ZINC001035264309 679811295 /nfs/dbraw/zinc/81/12/95/679811295.db2.gz BPOYJPSCMLOBOO-LBPRGKRZSA-N 1 2 264.325 1.286 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccco2)C1 ZINC001035264309 679811297 /nfs/dbraw/zinc/81/12/97/679811297.db2.gz BPOYJPSCMLOBOO-LBPRGKRZSA-N 1 2 264.325 1.286 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C#Cc1cccs1 ZINC000855406541 679804302 /nfs/dbraw/zinc/80/43/02/679804302.db2.gz FGGJUJZLJBTJRU-OLZOCXBDSA-N 1 2 292.404 1.325 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C#Cc1cccs1 ZINC000855406541 679804303 /nfs/dbraw/zinc/80/43/03/679804303.db2.gz FGGJUJZLJBTJRU-OLZOCXBDSA-N 1 2 292.404 1.325 20 30 CDEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)OC)CC2 ZINC001035663090 679805128 /nfs/dbraw/zinc/80/51/28/679805128.db2.gz IMKGSKSWWMFHQW-GFCCVEGCSA-N 1 2 286.803 1.698 20 30 CDEDLO Cc1nc(N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)cc[nH+]1 ZINC001058861255 679807281 /nfs/dbraw/zinc/80/72/81/679807281.db2.gz IPVFTFDJMOLJAS-LBPRGKRZSA-N 1 2 296.334 1.311 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc(C2CC2)no1 ZINC001017611056 679812835 /nfs/dbraw/zinc/81/28/35/679812835.db2.gz MUCNOUBCFHTQMX-OKILXGFUSA-N 1 2 299.374 1.403 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc(C2CC2)no1 ZINC001017611056 679812836 /nfs/dbraw/zinc/81/28/36/679812836.db2.gz MUCNOUBCFHTQMX-OKILXGFUSA-N 1 2 299.374 1.403 20 30 CDEDLO COc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)cn2)on1 ZINC000926228662 679819533 /nfs/dbraw/zinc/81/95/33/679819533.db2.gz OJLBLPVCBJZUDO-SECBINFHSA-N 1 2 258.281 1.801 20 30 CDEDLO N#Cc1ccc(CNC(=O)NCCNc2cccc[nH+]2)nc1 ZINC000780174524 679823856 /nfs/dbraw/zinc/82/38/56/679823856.db2.gz XKJLXPRSJWMABP-UHFFFAOYSA-N 1 2 296.334 1.260 20 30 CDEDLO CN(Cc1cc(C#N)cs1)C(=O)Cc1[nH]cc[nH+]1 ZINC000887967036 681720797 /nfs/dbraw/zinc/72/07/97/681720797.db2.gz ORSGEGYVZHQOOP-UHFFFAOYSA-N 1 2 260.322 1.544 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2occc2c1 ZINC001032414595 679841803 /nfs/dbraw/zinc/84/18/03/679841803.db2.gz DSOIVETWCPJNDQ-GJZGRUSLSA-N 1 2 280.327 1.965 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2occc2c1 ZINC001032414595 679841805 /nfs/dbraw/zinc/84/18/05/679841805.db2.gz DSOIVETWCPJNDQ-GJZGRUSLSA-N 1 2 280.327 1.965 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cccc(C)n1 ZINC001050820641 679843385 /nfs/dbraw/zinc/84/33/85/679843385.db2.gz FNDPLORGLNVWLJ-CQSZACIVSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc(C)n1 ZINC001050820641 679843387 /nfs/dbraw/zinc/84/33/87/679843387.db2.gz FNDPLORGLNVWLJ-CQSZACIVSA-N 1 2 289.379 1.397 20 30 CDEDLO C[C@H](NC(=S)N[NH+]=Cc1cnc(N(C)C)n1C)C1CC1 ZINC000811643287 679847543 /nfs/dbraw/zinc/84/75/43/679847543.db2.gz AFSZMUVLBJFHLS-VIFPVBQESA-N 1 2 294.428 1.083 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(CCC)n1 ZINC001038923323 679848446 /nfs/dbraw/zinc/84/84/46/679848446.db2.gz RQYJKHNGJQRECX-LLVKDONJSA-N 1 2 261.325 1.064 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(CCC)n1 ZINC001038923323 679848447 /nfs/dbraw/zinc/84/84/47/679848447.db2.gz RQYJKHNGJQRECX-LLVKDONJSA-N 1 2 261.325 1.064 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cnc([C@@H](C)OC)s2)C1 ZINC001014426259 679848463 /nfs/dbraw/zinc/84/84/63/679848463.db2.gz ACMLDPKMZREUJD-GHMZBOCLSA-N 1 2 293.392 1.288 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnc([C@@H](C)OC)s2)C1 ZINC001014426259 679848464 /nfs/dbraw/zinc/84/84/64/679848464.db2.gz ACMLDPKMZREUJD-GHMZBOCLSA-N 1 2 293.392 1.288 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](CC[C@@H](C)F)C2)nc1 ZINC001031278197 679851938 /nfs/dbraw/zinc/85/19/38/679851938.db2.gz HAQIETUXVXZMQB-LLVKDONJSA-N 1 2 275.327 1.225 20 30 CDEDLO CC#CC[C@@H](CO)[NH2+]Cc1cccc(Cl)c1O ZINC000717732337 679854401 /nfs/dbraw/zinc/85/44/01/679854401.db2.gz HWKQDGUJTVGCTB-NSHDSACASA-N 1 2 253.729 1.910 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc(F)c1 ZINC001038099546 679866895 /nfs/dbraw/zinc/86/68/95/679866895.db2.gz KYNCNOJGYCASCL-LBPRGKRZSA-N 1 2 261.300 1.048 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc(F)c1 ZINC001038099546 679866896 /nfs/dbraw/zinc/86/68/96/679866896.db2.gz KYNCNOJGYCASCL-LBPRGKRZSA-N 1 2 261.300 1.048 20 30 CDEDLO CC(C)O[C@@H]1CCC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000844716034 679867992 /nfs/dbraw/zinc/86/79/92/679867992.db2.gz HDNJMZZBFMKVGE-CQSZACIVSA-N 1 2 275.352 1.567 20 30 CDEDLO CC(C)O[C@@H]1CCC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000844716034 679867994 /nfs/dbraw/zinc/86/79/94/679867994.db2.gz HDNJMZZBFMKVGE-CQSZACIVSA-N 1 2 275.352 1.567 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]nnc3c2)CC1 ZINC001052926331 679872975 /nfs/dbraw/zinc/87/29/75/679872975.db2.gz IWVSQGVPMDZSSO-CYBMUJFWSA-N 1 2 297.362 1.175 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]nnc3c2)CC1 ZINC001052926331 679872977 /nfs/dbraw/zinc/87/29/77/679872977.db2.gz IWVSQGVPMDZSSO-CYBMUJFWSA-N 1 2 297.362 1.175 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC23CC3)C1 ZINC001035520393 679873653 /nfs/dbraw/zinc/87/36/53/679873653.db2.gz BANFLKVYHIUKDO-QWHCGFSZSA-N 1 2 264.369 1.180 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC23CC3)C1 ZINC001035520393 679873654 /nfs/dbraw/zinc/87/36/54/679873654.db2.gz BANFLKVYHIUKDO-QWHCGFSZSA-N 1 2 264.369 1.180 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC2=CCOCC2)C1 ZINC001015661192 681770650 /nfs/dbraw/zinc/77/06/50/681770650.db2.gz SWZJAZTZWIGXBV-CYBMUJFWSA-N 1 2 284.787 1.666 20 30 CDEDLO C=C[C@H](C)ONC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000845627948 681894564 /nfs/dbraw/zinc/89/45/64/681894564.db2.gz VGBXUVFIZBAZCZ-QWRGUYRKSA-N 1 2 264.329 1.425 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000933358497 681532629 /nfs/dbraw/zinc/53/26/29/681532629.db2.gz GMAFQCNNWBQKQX-AWEZNQCLSA-N 1 2 291.399 1.025 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2nonc2C)CC1 ZINC001004267860 681548626 /nfs/dbraw/zinc/54/86/26/681548626.db2.gz RGPPSWRPUCFGCN-UHFFFAOYSA-N 1 2 284.747 1.325 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2cccc(O)c2)CC1 ZINC000183613502 681557851 /nfs/dbraw/zinc/55/78/51/681557851.db2.gz HBIDUNNMFVFUDH-VOTSOKGWSA-N 1 2 270.332 1.183 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000812016445 681617923 /nfs/dbraw/zinc/61/79/23/681617923.db2.gz GUCRQIOVEPLUQU-ZDUSSCGKSA-N 1 2 271.364 1.665 20 30 CDEDLO C=C1CC(C)(C(=O)N2CCOC3(C[NH+](CCCF)C3)C2)C1 ZINC001053418100 681656575 /nfs/dbraw/zinc/65/65/75/681656575.db2.gz MUPOLXUSDCASTL-UHFFFAOYSA-N 1 2 296.386 1.616 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)n1cccc1 ZINC001032358682 681694313 /nfs/dbraw/zinc/69/43/13/681694313.db2.gz FNDNSTJLTHMMAZ-KKUMJFAQSA-N 1 2 271.364 1.358 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)n1cccc1 ZINC001032358682 681694318 /nfs/dbraw/zinc/69/43/18/681694318.db2.gz FNDNSTJLTHMMAZ-KKUMJFAQSA-N 1 2 271.364 1.358 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001032642417 681741416 /nfs/dbraw/zinc/74/14/16/681741416.db2.gz NOQRUNADJVPAKC-YHUYYLMFSA-N 1 2 281.359 1.103 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001032642417 681741424 /nfs/dbraw/zinc/74/14/24/681741424.db2.gz NOQRUNADJVPAKC-YHUYYLMFSA-N 1 2 281.359 1.103 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CS[C@@H](C)C1 ZINC000839829109 681747664 /nfs/dbraw/zinc/74/76/64/681747664.db2.gz GNVRSPODKYMVHK-TUAOUCFPSA-N 1 2 252.383 1.094 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CS[C@@H](C)C1 ZINC000839829109 681747672 /nfs/dbraw/zinc/74/76/72/681747672.db2.gz GNVRSPODKYMVHK-TUAOUCFPSA-N 1 2 252.383 1.094 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC2=CCOCC2)C1 ZINC001015661192 681770644 /nfs/dbraw/zinc/77/06/44/681770644.db2.gz SWZJAZTZWIGXBV-CYBMUJFWSA-N 1 2 284.787 1.666 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001038562571 681772822 /nfs/dbraw/zinc/77/28/22/681772822.db2.gz GPSZQBMZXOPKOH-CQSZACIVSA-N 1 2 281.359 1.914 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001038562571 681772827 /nfs/dbraw/zinc/77/28/27/681772827.db2.gz GPSZQBMZXOPKOH-CQSZACIVSA-N 1 2 281.359 1.914 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C)sc1C ZINC001032470594 681807061 /nfs/dbraw/zinc/80/70/61/681807061.db2.gz YBOWFVVPHOVMAN-STQMWFEESA-N 1 2 289.404 1.682 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C)sc1C ZINC001032470594 681807062 /nfs/dbraw/zinc/80/70/62/681807062.db2.gz YBOWFVVPHOVMAN-STQMWFEESA-N 1 2 289.404 1.682 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@@H](C(C)C)C1 ZINC000884125576 681815827 /nfs/dbraw/zinc/81/58/27/681815827.db2.gz BTHHIZIMMCZHCX-MCIONIFRSA-N 1 2 296.411 1.764 20 30 CDEDLO C#C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000775343027 681817218 /nfs/dbraw/zinc/81/72/18/681817218.db2.gz USYCSZQWOPJQPM-WDEREUQCSA-N 1 2 266.322 1.927 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CCNc1cc(C)ncc1C#N ZINC000872773773 681825329 /nfs/dbraw/zinc/82/53/29/681825329.db2.gz VTJWPOOKBZYCJQ-CQSZACIVSA-N 1 2 274.368 1.206 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CCNc1cc(C)ncc1C#N ZINC000872773773 681825333 /nfs/dbraw/zinc/82/53/33/681825333.db2.gz VTJWPOOKBZYCJQ-CQSZACIVSA-N 1 2 274.368 1.206 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccn2CC)C1 ZINC001035609071 681826972 /nfs/dbraw/zinc/82/69/72/681826972.db2.gz JGBSLCDNKFECJN-AWEZNQCLSA-N 1 2 291.395 1.515 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccn2CC)C1 ZINC001035609071 681826973 /nfs/dbraw/zinc/82/69/73/681826973.db2.gz JGBSLCDNKFECJN-AWEZNQCLSA-N 1 2 291.395 1.515 20 30 CDEDLO CC#CC[NH+]1CCC([C@H](C)NC(=O)c2[nH]ncc2F)CC1 ZINC000997746327 681831626 /nfs/dbraw/zinc/83/16/26/681831626.db2.gz YXLIEIDUQOCQAG-NSHDSACASA-N 1 2 292.358 1.402 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)CCn1cnc(Br)n1 ZINC000821387374 681842101 /nfs/dbraw/zinc/84/21/01/681842101.db2.gz RXDDSVCTTWTRAU-QMMMGPOBSA-N 1 2 272.150 1.275 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)CCn1cnc(Br)n1 ZINC000821387374 681842102 /nfs/dbraw/zinc/84/21/02/681842102.db2.gz RXDDSVCTTWTRAU-QMMMGPOBSA-N 1 2 272.150 1.275 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(Cl)cccc1OC ZINC001039041274 681846624 /nfs/dbraw/zinc/84/66/24/681846624.db2.gz BJGWNOLPMPGFJX-NSHDSACASA-N 1 2 292.766 1.786 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(Cl)cccc1OC ZINC001039041274 681846625 /nfs/dbraw/zinc/84/66/25/681846625.db2.gz BJGWNOLPMPGFJX-NSHDSACASA-N 1 2 292.766 1.786 20 30 CDEDLO C#Cc1ccccc1CC(=O)NCCn1cc[nH+]c1 ZINC000810117222 681878345 /nfs/dbraw/zinc/87/83/45/681878345.db2.gz LMAKDTPMVIKMOQ-UHFFFAOYSA-N 1 2 253.305 1.223 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1onc(C)c1C ZINC001038385401 681880444 /nfs/dbraw/zinc/88/04/44/681880444.db2.gz IKPYULJCJOPZSL-GFCCVEGCSA-N 1 2 261.325 1.119 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1onc(C)c1C ZINC001038385401 681880445 /nfs/dbraw/zinc/88/04/45/681880445.db2.gz IKPYULJCJOPZSL-GFCCVEGCSA-N 1 2 261.325 1.119 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C)[nH]c2=O)C1 ZINC001015758885 681883695 /nfs/dbraw/zinc/88/36/95/681883695.db2.gz HSMSXOJADRSBGC-LLVKDONJSA-N 1 2 295.770 1.652 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)[nH]c2=O)C1 ZINC001015758885 681883699 /nfs/dbraw/zinc/88/36/99/681883699.db2.gz HSMSXOJADRSBGC-LLVKDONJSA-N 1 2 295.770 1.652 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC(C)(C)C)C[C@@H]21 ZINC001074166120 681896651 /nfs/dbraw/zinc/89/66/51/681896651.db2.gz BGKRLQXPFLULRN-LSDHHAIUSA-N 1 2 292.423 1.748 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC(C)(C)C)C[C@@H]21 ZINC001074166120 681896653 /nfs/dbraw/zinc/89/66/53/681896653.db2.gz BGKRLQXPFLULRN-LSDHHAIUSA-N 1 2 292.423 1.748 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1OCC ZINC001017384012 681920422 /nfs/dbraw/zinc/92/04/22/681920422.db2.gz UKXLYICVVHRLGI-BARDWOONSA-N 1 2 276.380 1.110 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1OCC ZINC001017384012 681920428 /nfs/dbraw/zinc/92/04/28/681920428.db2.gz UKXLYICVVHRLGI-BARDWOONSA-N 1 2 276.380 1.110 20 30 CDEDLO C=C[C@@H](C)ONC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000845626061 681939039 /nfs/dbraw/zinc/93/90/39/681939039.db2.gz QOYZBIMWSNOIGT-NXEZZACHSA-N 1 2 250.302 1.003 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c[nH]nc2-c2ccco2)C1 ZINC001031409186 681979385 /nfs/dbraw/zinc/97/93/85/681979385.db2.gz KSBXDORIPDXUOJ-UHFFFAOYSA-N 1 2 284.319 1.107 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccnnc2)CC[C@@H]1C ZINC001071848877 682001566 /nfs/dbraw/zinc/00/15/66/682001566.db2.gz ZINBRALEVIRXKS-WCQYABFASA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccnnc2)CC[C@@H]1C ZINC001071848877 682001572 /nfs/dbraw/zinc/00/15/72/682001572.db2.gz ZINBRALEVIRXKS-WCQYABFASA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cnn(C)c2)C1 ZINC001033746065 682011849 /nfs/dbraw/zinc/01/18/49/682011849.db2.gz ZLCFGIAEORVINS-ZDUSSCGKSA-N 1 2 296.802 1.709 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cnn(C)c2)C1 ZINC001033746065 682011859 /nfs/dbraw/zinc/01/18/59/682011859.db2.gz ZLCFGIAEORVINS-ZDUSSCGKSA-N 1 2 296.802 1.709 20 30 CDEDLO CC#CC[N@@H+]1CC[C@](C)(NC(=O)c2snnc2C)C1 ZINC001046133150 682018274 /nfs/dbraw/zinc/01/82/74/682018274.db2.gz NAQXOIPEVZINSX-ZDUSSCGKSA-N 1 2 278.381 1.064 20 30 CDEDLO CC#CC[N@H+]1CC[C@](C)(NC(=O)c2snnc2C)C1 ZINC001046133150 682018279 /nfs/dbraw/zinc/01/82/79/682018279.db2.gz NAQXOIPEVZINSX-ZDUSSCGKSA-N 1 2 278.381 1.064 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C=C)c1ccccc1 ZINC001032796235 682032412 /nfs/dbraw/zinc/03/24/12/682032412.db2.gz ZIWFTPMOMWEFIV-YESZJQIVSA-N 1 2 280.371 1.875 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C=C)c1ccccc1 ZINC001032796235 682032420 /nfs/dbraw/zinc/03/24/20/682032420.db2.gz ZIWFTPMOMWEFIV-YESZJQIVSA-N 1 2 280.371 1.875 20 30 CDEDLO CC[C@@H]1C(=O)NCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000933215943 682033275 /nfs/dbraw/zinc/03/32/75/682033275.db2.gz DZHJTANUWXGORH-OAHLLOKOSA-N 1 2 274.339 1.778 20 30 CDEDLO CC[C@@H]1C(=O)NCCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000933215943 682033287 /nfs/dbraw/zinc/03/32/87/682033287.db2.gz DZHJTANUWXGORH-OAHLLOKOSA-N 1 2 274.339 1.778 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]cc1F ZINC001017907661 682070692 /nfs/dbraw/zinc/07/06/92/682070692.db2.gz SRZDDOCZJSXHNI-AOOOYVTPSA-N 1 2 264.304 1.024 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]cc1F ZINC001017907661 682070699 /nfs/dbraw/zinc/07/06/99/682070699.db2.gz SRZDDOCZJSXHNI-AOOOYVTPSA-N 1 2 264.304 1.024 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C(C)(C)C)n1 ZINC001032432228 682081775 /nfs/dbraw/zinc/08/17/75/682081775.db2.gz YHABRDORMQFWMS-STQMWFEESA-N 1 2 286.379 1.170 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C(C)(C)C)n1 ZINC001032432228 682081782 /nfs/dbraw/zinc/08/17/82/682081782.db2.gz YHABRDORMQFWMS-STQMWFEESA-N 1 2 286.379 1.170 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(Cl)cn1CC ZINC001039036285 682092568 /nfs/dbraw/zinc/09/25/68/682092568.db2.gz GRRVKGQFSANQBU-ZDUSSCGKSA-N 1 2 293.798 1.989 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cl)cn1CC ZINC001039036285 682092575 /nfs/dbraw/zinc/09/25/75/682092575.db2.gz GRRVKGQFSANQBU-ZDUSSCGKSA-N 1 2 293.798 1.989 20 30 CDEDLO C[C@@H](CC(C)(C)C#N)[NH2+][C@H](C(N)=O)c1ccccn1 ZINC000926501447 682149840 /nfs/dbraw/zinc/14/98/40/682149840.db2.gz ZVKPQINBEAZQFD-JQWIXIFHSA-N 1 2 260.341 1.526 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cncc(C)c2)C1 ZINC001030746148 682154781 /nfs/dbraw/zinc/15/47/81/682154781.db2.gz HZOFCHPZVMFALQ-UHFFFAOYSA-N 1 2 259.353 1.309 20 30 CDEDLO Cc1cnn([C@H]2CC[N@H+](Cn3cccc(C#N)c3=O)C2)c1 ZINC000811799215 682192834 /nfs/dbraw/zinc/19/28/34/682192834.db2.gz SKZLRAQXVJSXRQ-AWEZNQCLSA-N 1 2 283.335 1.129 20 30 CDEDLO Cc1cnn([C@H]2CC[N@@H+](Cn3cccc(C#N)c3=O)C2)c1 ZINC000811799215 682192845 /nfs/dbraw/zinc/19/28/45/682192845.db2.gz SKZLRAQXVJSXRQ-AWEZNQCLSA-N 1 2 283.335 1.129 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cnc(CC(C)C)s2)C1 ZINC001016393101 682198513 /nfs/dbraw/zinc/19/85/13/682198513.db2.gz SYHKLJALMFXGOI-GFCCVEGCSA-N 1 2 291.420 1.779 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnc(CC(C)C)s2)C1 ZINC001016393101 682198517 /nfs/dbraw/zinc/19/85/17/682198517.db2.gz SYHKLJALMFXGOI-GFCCVEGCSA-N 1 2 291.420 1.779 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc[nH]2)C1 ZINC001031544147 682206802 /nfs/dbraw/zinc/20/68/02/682206802.db2.gz YHIURHFDSQLXKP-UHFFFAOYSA-N 1 2 253.733 1.429 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@]2(C)OCCc3ccccc32)C1 ZINC001031475131 682212651 /nfs/dbraw/zinc/21/26/51/682212651.db2.gz FCQAMISWRQYXHR-GOSISDBHSA-N 1 2 298.386 1.298 20 30 CDEDLO N#Cc1c(=O)n(C[N@@H+]2CC[C@H]3C[C@H]3C2)cc2c1CCCC2 ZINC000853575184 682274227 /nfs/dbraw/zinc/27/42/27/682274227.db2.gz BHDGNGJOBSOBTE-JSGCOSHPSA-N 1 2 283.375 1.898 20 30 CDEDLO N#Cc1c(=O)n(C[N@H+]2CC[C@H]3C[C@H]3C2)cc2c1CCCC2 ZINC000853575184 682274234 /nfs/dbraw/zinc/27/42/34/682274234.db2.gz BHDGNGJOBSOBTE-JSGCOSHPSA-N 1 2 283.375 1.898 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)C2CCOCC2)C1 ZINC001031495698 682293785 /nfs/dbraw/zinc/29/37/85/682293785.db2.gz LKBSDRHRFGKZHJ-LBPRGKRZSA-N 1 2 266.385 1.426 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)s1 ZINC000284755477 682325546 /nfs/dbraw/zinc/32/55/46/682325546.db2.gz VZMJRVNMGXUMLZ-RRFJBIMHSA-N 1 2 292.404 1.982 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)s1 ZINC000284755477 682325553 /nfs/dbraw/zinc/32/55/53/682325553.db2.gz VZMJRVNMGXUMLZ-RRFJBIMHSA-N 1 2 292.404 1.982 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCS[C@@H]1C ZINC000844117279 682330582 /nfs/dbraw/zinc/33/05/82/682330582.db2.gz WWYCHJXIOMOJFG-WOPDTQHZSA-N 1 2 252.383 1.094 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCS[C@@H]1C ZINC000844117279 682330586 /nfs/dbraw/zinc/33/05/86/682330586.db2.gz WWYCHJXIOMOJFG-WOPDTQHZSA-N 1 2 252.383 1.094 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)n2cncn2)C1 ZINC001033023899 682334108 /nfs/dbraw/zinc/33/41/08/682334108.db2.gz YQNCOLCNNDHYKU-NEPJUHHUSA-N 1 2 297.790 1.124 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)n2cncn2)C1 ZINC001033023899 682334111 /nfs/dbraw/zinc/33/41/11/682334111.db2.gz YQNCOLCNNDHYKU-NEPJUHHUSA-N 1 2 297.790 1.124 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccoc1C ZINC001050813222 682338033 /nfs/dbraw/zinc/33/80/33/682338033.db2.gz RUZKERARCQFEEO-CQSZACIVSA-N 1 2 292.379 1.985 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccoc1C ZINC001050813222 682338036 /nfs/dbraw/zinc/33/80/36/682338036.db2.gz RUZKERARCQFEEO-CQSZACIVSA-N 1 2 292.379 1.985 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC1(C)C ZINC001017822559 682366003 /nfs/dbraw/zinc/36/60/03/682366003.db2.gz CKHUYBGWMYZCHU-HZSPNIEDSA-N 1 2 260.381 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC1(C)C ZINC001017822559 682366011 /nfs/dbraw/zinc/36/60/11/682366011.db2.gz CKHUYBGWMYZCHU-HZSPNIEDSA-N 1 2 260.381 1.731 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cscn1 ZINC001017401569 682390628 /nfs/dbraw/zinc/39/06/28/682390628.db2.gz LGUIKELMLSIOEB-PHIMTYICSA-N 1 2 263.366 1.618 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@H]1C ZINC001018108169 682397116 /nfs/dbraw/zinc/39/71/16/682397116.db2.gz XUBONHLQQLCPDU-XQLPTFJDSA-N 1 2 276.380 1.110 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@H]1C ZINC001018108169 682397121 /nfs/dbraw/zinc/39/71/21/682397121.db2.gz XUBONHLQQLCPDU-XQLPTFJDSA-N 1 2 276.380 1.110 20 30 CDEDLO CCc1nc(N2CCN(C(=O)[C@H](C)C#N)CC2)cc(C)[nH+]1 ZINC001055742637 682437488 /nfs/dbraw/zinc/43/74/88/682437488.db2.gz WSNCONJXDSGPPY-LLVKDONJSA-N 1 2 287.367 1.156 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2ncc(F)cc2F)C1 ZINC001030534356 682467479 /nfs/dbraw/zinc/46/74/79/682467479.db2.gz VQNBHOKPZPJOEM-UHFFFAOYSA-N 1 2 267.279 1.350 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001006987298 682487346 /nfs/dbraw/zinc/48/73/46/682487346.db2.gz YBYVIKTUIFZEFO-CHWSQXEVSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001006987298 682487347 /nfs/dbraw/zinc/48/73/47/682487347.db2.gz YBYVIKTUIFZEFO-CHWSQXEVSA-N 1 2 286.803 1.746 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3ccns3)CC2)cn1 ZINC000877645095 682488069 /nfs/dbraw/zinc/48/80/69/682488069.db2.gz AJYMZSUSPKXRKP-UHFFFAOYSA-N 1 2 285.376 1.732 20 30 CDEDLO N#Cc1cccc(OCC(=O)OCc2cc[nH+]c(N)c2)c1 ZINC000791752196 682497885 /nfs/dbraw/zinc/49/78/85/682497885.db2.gz SYFGKOOKGHURNK-UHFFFAOYSA-N 1 2 283.287 1.658 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1COCC[N@H+]1CCC ZINC001050924095 682504441 /nfs/dbraw/zinc/50/44/41/682504441.db2.gz CAUASJGLHDFOOM-ZNMIVQPWSA-N 1 2 296.411 1.195 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1CCC ZINC001050924095 682504444 /nfs/dbraw/zinc/50/44/44/682504444.db2.gz CAUASJGLHDFOOM-ZNMIVQPWSA-N 1 2 296.411 1.195 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccs1 ZINC001017301416 682515178 /nfs/dbraw/zinc/51/51/78/682515178.db2.gz IWHVGYQZVFCISN-BETUJISGSA-N 1 2 274.389 1.599 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccs1 ZINC001017301416 682515186 /nfs/dbraw/zinc/51/51/86/682515186.db2.gz IWHVGYQZVFCISN-BETUJISGSA-N 1 2 274.389 1.599 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC001030712043 682532865 /nfs/dbraw/zinc/53/28/65/682532865.db2.gz FCENNDXYSXMMBT-KBPBESRZSA-N 1 2 264.369 1.321 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC12CCC2 ZINC001032653757 682558001 /nfs/dbraw/zinc/55/80/01/682558001.db2.gz DPHKSSJNOGMUCH-IHRRRGAJSA-N 1 2 258.365 1.485 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC12CCC2 ZINC001032653757 682558005 /nfs/dbraw/zinc/55/80/05/682558005.db2.gz DPHKSSJNOGMUCH-IHRRRGAJSA-N 1 2 258.365 1.485 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)OCCCn1cc[nH+]c1 ZINC000815339811 682581853 /nfs/dbraw/zinc/58/18/53/682581853.db2.gz BRSRGFPLWXGRBQ-UHFFFAOYSA-N 1 2 270.292 1.705 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001007743946 682595724 /nfs/dbraw/zinc/59/57/24/682595724.db2.gz DVGIDPOVDWLMEW-NSHDSACASA-N 1 2 274.368 1.279 20 30 CDEDLO C=CC[N@H+]1CCC[C@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001007743946 682595729 /nfs/dbraw/zinc/59/57/29/682595729.db2.gz DVGIDPOVDWLMEW-NSHDSACASA-N 1 2 274.368 1.279 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(Cl)cn2C)C1 ZINC001030644555 682606914 /nfs/dbraw/zinc/60/69/14/682606914.db2.gz CRWRTAJMMQEWDO-UHFFFAOYSA-N 1 2 265.744 1.116 20 30 CDEDLO C=CC[C@H](C(=O)OC)[NH+]1CCC(C(=O)OC(C)C)CC1 ZINC000886732924 682620894 /nfs/dbraw/zinc/62/08/94/682620894.db2.gz VKKTXBJUOHHJOH-CYBMUJFWSA-N 1 2 283.368 1.768 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c(C)[nH]cc2NC(C)=O)C1 ZINC001030578254 682637159 /nfs/dbraw/zinc/63/71/59/682637159.db2.gz SKJTVILUJMBEHH-UHFFFAOYSA-N 1 2 290.367 1.272 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2ccccn2c1 ZINC001038768443 682656872 /nfs/dbraw/zinc/65/68/72/682656872.db2.gz OSQYSEZEKKDGJZ-HNNXBMFYSA-N 1 2 267.332 1.377 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2ccccn2c1 ZINC001038768443 682656877 /nfs/dbraw/zinc/65/68/77/682656877.db2.gz OSQYSEZEKKDGJZ-HNNXBMFYSA-N 1 2 267.332 1.377 20 30 CDEDLO C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001017662854 682686353 /nfs/dbraw/zinc/68/63/53/682686353.db2.gz OFGBWDALNDIWRT-OKILXGFUSA-N 1 2 294.358 1.485 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH]ccc-2n1 ZINC001017662854 682686358 /nfs/dbraw/zinc/68/63/58/682686358.db2.gz OFGBWDALNDIWRT-OKILXGFUSA-N 1 2 294.358 1.485 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH]ccc-2n1 ZINC001017662854 682686363 /nfs/dbraw/zinc/68/63/63/682686363.db2.gz OFGBWDALNDIWRT-OKILXGFUSA-N 1 2 294.358 1.485 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccn(C)c1 ZINC001027819868 682728388 /nfs/dbraw/zinc/72/83/88/682728388.db2.gz ULLYTMUBXKAUCH-CYBMUJFWSA-N 1 2 281.787 1.972 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(C)c1 ZINC001027819868 682728398 /nfs/dbraw/zinc/72/83/98/682728398.db2.gz ULLYTMUBXKAUCH-CYBMUJFWSA-N 1 2 281.787 1.972 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COc2ccccc21 ZINC001032815847 682730381 /nfs/dbraw/zinc/73/03/81/682730381.db2.gz RACUDNFGCKGSQE-KCQAQPDRSA-N 1 2 282.343 1.081 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COc2ccccc21 ZINC001032815847 682730399 /nfs/dbraw/zinc/73/03/99/682730399.db2.gz RACUDNFGCKGSQE-KCQAQPDRSA-N 1 2 282.343 1.081 20 30 CDEDLO C#CCC1(C(=O)N2CC[NH+](CCO)CC2)CCCCC1 ZINC000788238513 682738502 /nfs/dbraw/zinc/73/85/02/682738502.db2.gz OLPMCKFWPYHPNK-UHFFFAOYSA-N 1 2 278.396 1.097 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cnc(CC3CC3)s2)C1 ZINC001015384513 682745545 /nfs/dbraw/zinc/74/55/45/682745545.db2.gz DTICZIATPAYFJK-GFCCVEGCSA-N 1 2 289.404 1.533 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnc(CC3CC3)s2)C1 ZINC001015384513 682745548 /nfs/dbraw/zinc/74/55/48/682745548.db2.gz DTICZIATPAYFJK-GFCCVEGCSA-N 1 2 289.404 1.533 20 30 CDEDLO N#C[C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000928223679 682804144 /nfs/dbraw/zinc/80/41/44/682804144.db2.gz PYZCLSJMEDRLNH-VXGBXAGGSA-N 1 2 258.325 1.208 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001031855722 682812127 /nfs/dbraw/zinc/81/21/27/682812127.db2.gz LYVIBRJSWDAXBH-MELADBBJSA-N 1 2 298.814 1.602 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001043139134 682818668 /nfs/dbraw/zinc/81/86/68/682818668.db2.gz DXBZHRIBFHTZLQ-CYBMUJFWSA-N 1 2 288.395 1.164 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(F)(F)F)no1 ZINC001038383511 682822347 /nfs/dbraw/zinc/82/23/47/682822347.db2.gz HOZJEWPXIVCQPU-QMMMGPOBSA-N 1 2 289.257 1.684 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(F)(F)F)no1 ZINC001038383511 682822348 /nfs/dbraw/zinc/82/23/48/682822348.db2.gz HOZJEWPXIVCQPU-QMMMGPOBSA-N 1 2 289.257 1.684 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnc2c(c1)CCCC2 ZINC000782838920 682826767 /nfs/dbraw/zinc/82/67/67/682826767.db2.gz FBBXKBDFPMKKFR-INIZCTEOSA-N 1 2 283.375 1.997 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnc2c(c1)CCCC2 ZINC000782838920 682826768 /nfs/dbraw/zinc/82/67/68/682826768.db2.gz FBBXKBDFPMKKFR-INIZCTEOSA-N 1 2 283.375 1.997 20 30 CDEDLO C[C@H]1CCN(C(=O)NCCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000336363969 682839850 /nfs/dbraw/zinc/83/98/50/682839850.db2.gz ITEUMKKCJROMAS-RYUDHWBXSA-N 1 2 261.329 1.389 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2CCC(C)(C)CO2)C1 ZINC001030696104 682846624 /nfs/dbraw/zinc/84/66/24/682846624.db2.gz NBYOPBANWOREJV-CQSZACIVSA-N 1 2 280.412 1.958 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(=O)[nH]c2)C1 ZINC001015309386 682850094 /nfs/dbraw/zinc/85/00/94/682850094.db2.gz FOSIAJGKBSTPOC-GFCCVEGCSA-N 1 2 295.770 1.273 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(=O)[nH]c2)C1 ZINC001015309386 682850095 /nfs/dbraw/zinc/85/00/95/682850095.db2.gz FOSIAJGKBSTPOC-GFCCVEGCSA-N 1 2 295.770 1.273 20 30 CDEDLO C#CC[C@H](CO)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000820580635 682851315 /nfs/dbraw/zinc/85/13/15/682851315.db2.gz AGIKTFGRGODBGL-GFCCVEGCSA-N 1 2 293.330 1.612 20 30 CDEDLO C#CC[NH+]1CCC(NC(=O)c2[nH]nc3c2CCCC3)CC1 ZINC000928657352 682859767 /nfs/dbraw/zinc/85/97/67/682859767.db2.gz YHNVYWCBBIVJOC-UHFFFAOYSA-N 1 2 286.379 1.116 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001038467521 682867153 /nfs/dbraw/zinc/86/71/53/682867153.db2.gz CYTFISKTKKTEFR-HNNXBMFYSA-N 1 2 283.375 1.786 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001038467521 682867154 /nfs/dbraw/zinc/86/71/54/682867154.db2.gz CYTFISKTKKTEFR-HNNXBMFYSA-N 1 2 283.375 1.786 20 30 CDEDLO C=C1CC(C)(C(=O)NC2C[NH+](C[C@@H]3CC(C)(C)CO3)C2)C1 ZINC001030924143 683055135 /nfs/dbraw/zinc/05/51/35/683055135.db2.gz KPDQEZKOJKWMTM-AWEZNQCLSA-N 1 2 292.423 1.958 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2cnc([C@H](C)OC)s2)C1 ZINC001030314514 683058598 /nfs/dbraw/zinc/05/85/98/683058598.db2.gz CZXOEDPZHXIIAN-JTQLQIEISA-N 1 2 295.408 1.841 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC=CC2)C1 ZINC001010411977 683060379 /nfs/dbraw/zinc/06/03/79/683060379.db2.gz KYSUDTKMYUGYRX-GFCCVEGCSA-N 1 2 254.761 1.896 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC=CC2)C1 ZINC001010411977 683060382 /nfs/dbraw/zinc/06/03/82/683060382.db2.gz KYSUDTKMYUGYRX-GFCCVEGCSA-N 1 2 254.761 1.896 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1OCCc2ccccc21 ZINC001038577829 683096514 /nfs/dbraw/zinc/09/65/14/683096514.db2.gz FDXUVDPYTZCPOL-GOEBONIOSA-N 1 2 284.359 1.124 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1OCCc2ccccc21 ZINC001038577829 683096519 /nfs/dbraw/zinc/09/65/19/683096519.db2.gz FDXUVDPYTZCPOL-GOEBONIOSA-N 1 2 284.359 1.124 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(C)[nH]nc2Cl)C1 ZINC001042877930 683119029 /nfs/dbraw/zinc/11/90/29/683119029.db2.gz XHNPFDHKSKQSLD-UHFFFAOYSA-N 1 2 280.759 1.151 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2CCC3(CCC3)CO2)C1 ZINC001031294267 683119593 /nfs/dbraw/zinc/11/95/93/683119593.db2.gz XDNNJVCQHYVQRF-OAHLLOKOSA-N 1 2 290.407 1.550 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c1OCC2 ZINC001032642839 683120489 /nfs/dbraw/zinc/12/04/89/683120489.db2.gz GEXGNYNIDVZMNU-KBPBESRZSA-N 1 2 282.343 1.153 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c1OCC2 ZINC001032642839 683120495 /nfs/dbraw/zinc/12/04/95/683120495.db2.gz GEXGNYNIDVZMNU-KBPBESRZSA-N 1 2 282.343 1.153 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1occc1-c1cnn(C)c1 ZINC001038633754 683167078 /nfs/dbraw/zinc/16/70/78/683167078.db2.gz ZWAKFCINSPWFRP-CYBMUJFWSA-N 1 2 298.346 1.117 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1occc1-c1cnn(C)c1 ZINC001038633754 683167089 /nfs/dbraw/zinc/16/70/89/683167089.db2.gz ZWAKFCINSPWFRP-CYBMUJFWSA-N 1 2 298.346 1.117 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(Cl)c1 ZINC001032681875 683218390 /nfs/dbraw/zinc/21/83/90/683218390.db2.gz OOGYZXNYPTWMQX-KBPBESRZSA-N 1 2 289.766 1.657 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(Cl)c1 ZINC001032681875 683218394 /nfs/dbraw/zinc/21/83/94/683218394.db2.gz OOGYZXNYPTWMQX-KBPBESRZSA-N 1 2 289.766 1.657 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2c(C)ccn2C)C1 ZINC001031631712 683220300 /nfs/dbraw/zinc/22/03/00/683220300.db2.gz CPDOWPXVXAFNDE-UHFFFAOYSA-N 1 2 281.787 1.748 20 30 CDEDLO CC(=NNC[C@@H](C)O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000814962615 683243708 /nfs/dbraw/zinc/24/37/08/683243708.db2.gz OUDQCGGTCQLPCF-LLVKDONJSA-N 1 2 258.325 1.567 20 30 CDEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000932722726 683294839 /nfs/dbraw/zinc/29/48/39/683294839.db2.gz GBIGFYKVRBFXBF-ZIAGYGMSSA-N 1 2 267.417 1.341 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2nccn2C)C1 ZINC001027336265 683297299 /nfs/dbraw/zinc/29/72/99/683297299.db2.gz OZMQYVVQEXNBGX-OLZOCXBDSA-N 1 2 289.383 1.003 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2nccn2C)C1 ZINC001027336265 683297309 /nfs/dbraw/zinc/29/73/09/683297309.db2.gz OZMQYVVQEXNBGX-OLZOCXBDSA-N 1 2 289.383 1.003 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001035504473 683310515 /nfs/dbraw/zinc/31/05/15/683310515.db2.gz QIRKDQCOQNAHJR-BFYDXBDKSA-N 1 2 292.423 1.960 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001035504473 683310518 /nfs/dbraw/zinc/31/05/18/683310518.db2.gz QIRKDQCOQNAHJR-BFYDXBDKSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CCN1CCN(C[N@H+]2CC(C)(C)OC[C@@H]2CC)C1=O ZINC000844723556 683364418 /nfs/dbraw/zinc/36/44/18/683364418.db2.gz NVUUQELRKZCZDT-ZDUSSCGKSA-N 1 2 281.400 1.757 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001035479784 683377492 /nfs/dbraw/zinc/37/74/92/683377492.db2.gz MNMWONKBUXERMA-AVGNSLFASA-N 1 2 252.358 1.036 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001035479784 683377502 /nfs/dbraw/zinc/37/75/02/683377502.db2.gz MNMWONKBUXERMA-AVGNSLFASA-N 1 2 252.358 1.036 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2[nH]cnc21 ZINC001038848527 683389317 /nfs/dbraw/zinc/38/93/17/683389317.db2.gz PMAUVAQGLVIKJD-NSHDSACASA-N 1 2 268.320 1.000 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2[nH]cnc21 ZINC001038848527 683389322 /nfs/dbraw/zinc/38/93/22/683389322.db2.gz PMAUVAQGLVIKJD-NSHDSACASA-N 1 2 268.320 1.000 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(N(C)C(C)=O)cc1 ZINC001039059955 683394775 /nfs/dbraw/zinc/39/47/75/683394775.db2.gz BNDQVKDNFBLPJI-MRXNPFEDSA-N 1 2 299.374 1.107 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N(C)C(C)=O)cc1 ZINC001039059955 683394782 /nfs/dbraw/zinc/39/47/82/683394782.db2.gz BNDQVKDNFBLPJI-MRXNPFEDSA-N 1 2 299.374 1.107 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2c3ccccc3nn2C)C1 ZINC001044138193 683426109 /nfs/dbraw/zinc/42/61/09/683426109.db2.gz NIKKNFLGRZIVNF-UHFFFAOYSA-N 1 2 284.363 1.516 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C(F)F)C[C@H]21 ZINC001041877272 683467626 /nfs/dbraw/zinc/46/76/26/683467626.db2.gz AZMXNURKSNQPII-NXEZZACHSA-N 1 2 278.730 1.927 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(F)F)C[C@H]21 ZINC001041877272 683467637 /nfs/dbraw/zinc/46/76/37/683467637.db2.gz AZMXNURKSNQPII-NXEZZACHSA-N 1 2 278.730 1.927 20 30 CDEDLO C#CC[C@@H](CCOC)NC(=O)c1cccc2[nH+]ccn21 ZINC000863785498 683483205 /nfs/dbraw/zinc/48/32/05/683483205.db2.gz HDUQAQSECMLEBF-LBPRGKRZSA-N 1 2 271.320 1.493 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3c(c2)C[C@H](C)O3)C1 ZINC001031105187 683506288 /nfs/dbraw/zinc/50/62/88/683506288.db2.gz HGVDYNMCDXFOPG-LBPRGKRZSA-N 1 2 284.359 1.447 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C)cc2)C1 ZINC001035585860 683516210 /nfs/dbraw/zinc/51/62/10/683516210.db2.gz ITCCAEVFRYPHNI-OAHLLOKOSA-N 1 2 274.364 1.612 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(C)cc2)C1 ZINC001035585860 683516221 /nfs/dbraw/zinc/51/62/21/683516221.db2.gz ITCCAEVFRYPHNI-OAHLLOKOSA-N 1 2 274.364 1.612 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C2CC2)on1 ZINC001038576335 683615254 /nfs/dbraw/zinc/61/52/54/683615254.db2.gz UVYVITUAVBEPAO-NSHDSACASA-N 1 2 261.325 1.542 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C2CC2)on1 ZINC001038576335 683615258 /nfs/dbraw/zinc/61/52/58/683615258.db2.gz UVYVITUAVBEPAO-NSHDSACASA-N 1 2 261.325 1.542 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2n[nH]c3ccccc32)C1 ZINC001016159562 683662707 /nfs/dbraw/zinc/66/27/07/683662707.db2.gz KPWIGOSIFAJPEV-GFCCVEGCSA-N 1 2 284.363 1.943 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2n[nH]c3ccccc32)C1 ZINC001016159562 683662715 /nfs/dbraw/zinc/66/27/15/683662715.db2.gz KPWIGOSIFAJPEV-GFCCVEGCSA-N 1 2 284.363 1.943 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2cn[nH]c21 ZINC001017554952 683682181 /nfs/dbraw/zinc/68/21/81/683682181.db2.gz GLOQCCBCJUZLQS-QLFBSQMISA-N 1 2 298.390 1.138 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2cn[nH]c21 ZINC001017554952 683682189 /nfs/dbraw/zinc/68/21/89/683682189.db2.gz GLOQCCBCJUZLQS-QLFBSQMISA-N 1 2 298.390 1.138 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(F)c(F)c1F ZINC001038644518 683701770 /nfs/dbraw/zinc/70/17/70/683701770.db2.gz PCWMDJITVRJDJG-VIFPVBQESA-N 1 2 282.265 1.541 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(F)c(F)c1F ZINC001038644518 683701778 /nfs/dbraw/zinc/70/17/78/683701778.db2.gz PCWMDJITVRJDJG-VIFPVBQESA-N 1 2 282.265 1.541 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2c(C)noc2C(F)F)C1 ZINC001014893487 683770067 /nfs/dbraw/zinc/77/00/67/683770067.db2.gz JUKSZSHBIBPVFS-VIFPVBQESA-N 1 2 283.278 1.358 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2c(C)noc2C(F)F)C1 ZINC001014893487 683770073 /nfs/dbraw/zinc/77/00/73/683770073.db2.gz JUKSZSHBIBPVFS-VIFPVBQESA-N 1 2 283.278 1.358 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccnc2C)C1 ZINC001015635321 683778281 /nfs/dbraw/zinc/77/82/81/683778281.db2.gz XZFGSCSHUZLFEA-LBPRGKRZSA-N 1 2 279.771 1.947 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccnc2C)C1 ZINC001015635321 683778287 /nfs/dbraw/zinc/77/82/87/683778287.db2.gz XZFGSCSHUZLFEA-LBPRGKRZSA-N 1 2 279.771 1.947 20 30 CDEDLO CON=Cc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000779215319 683779603 /nfs/dbraw/zinc/77/96/03/683779603.db2.gz XHDRYSBAOFRWJM-CQSZACIVSA-N 1 2 298.346 1.608 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2=CCOCC2)C1 ZINC001007177845 683789658 /nfs/dbraw/zinc/78/96/58/683789658.db2.gz OVLJURLGCNFJOB-CYBMUJFWSA-N 1 2 284.787 1.666 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2=CCOCC2)C1 ZINC001007177845 683789661 /nfs/dbraw/zinc/78/96/61/683789661.db2.gz OVLJURLGCNFJOB-CYBMUJFWSA-N 1 2 284.787 1.666 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC001042725563 683816462 /nfs/dbraw/zinc/81/64/62/683816462.db2.gz WJYPQHDBNBXCGD-GFCCVEGCSA-N 1 2 274.368 1.158 20 30 CDEDLO NC(=O)c1ccc(CO[NH+]=C(N)Cc2cccnc2)cc1 ZINC000137641725 683817389 /nfs/dbraw/zinc/81/73/89/683817389.db2.gz RZLWTSQYUSBBRJ-UHFFFAOYSA-N 1 2 284.319 1.212 20 30 CDEDLO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cncs1 ZINC001024348465 683821870 /nfs/dbraw/zinc/82/18/70/683821870.db2.gz NYKHBHZARFKWDG-LLVKDONJSA-N 1 2 263.366 1.361 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cncs1 ZINC001024348465 683821872 /nfs/dbraw/zinc/82/18/72/683821872.db2.gz NYKHBHZARFKWDG-LLVKDONJSA-N 1 2 263.366 1.361 20 30 CDEDLO C=CCSCCNC(=O)c1cccc2[nH+]ccn21 ZINC000780971391 683829599 /nfs/dbraw/zinc/82/95/99/683829599.db2.gz XYMBOYZNODIGHZ-UHFFFAOYSA-N 1 2 261.350 1.983 20 30 CDEDLO CC[C@H](F)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017541916 683851255 /nfs/dbraw/zinc/85/12/55/683851255.db2.gz MTIQWWRDTVQVLB-SOUVJXGZSA-N 1 2 278.371 1.823 20 30 CDEDLO CC[C@H](F)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017541916 683851260 /nfs/dbraw/zinc/85/12/60/683851260.db2.gz MTIQWWRDTVQVLB-SOUVJXGZSA-N 1 2 278.371 1.823 20 30 CDEDLO C=CC[C@H]([NH2+]CC1(C2(O)CCC2)CCC1)C(=O)OC ZINC000886982066 683852978 /nfs/dbraw/zinc/85/29/78/683852978.db2.gz DZZZRIIINPOAAP-LBPRGKRZSA-N 1 2 267.369 1.779 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)nnc1C ZINC001032540290 683855235 /nfs/dbraw/zinc/85/52/35/683855235.db2.gz YPBBWWVOPGQQDK-GJZGRUSLSA-N 1 2 298.390 1.269 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)nnc1C ZINC001032540290 683855238 /nfs/dbraw/zinc/85/52/38/683855238.db2.gz YPBBWWVOPGQQDK-GJZGRUSLSA-N 1 2 298.390 1.269 20 30 CDEDLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cccc(Cl)c1C#N ZINC000921414097 683856129 /nfs/dbraw/zinc/85/61/29/683856129.db2.gz CHVXBDZHNWNZSU-VIFPVBQESA-N 1 2 299.783 1.194 20 30 CDEDLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1cccc(Cl)c1C#N ZINC000921414097 683856130 /nfs/dbraw/zinc/85/61/30/683856130.db2.gz CHVXBDZHNWNZSU-VIFPVBQESA-N 1 2 299.783 1.194 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccncn2)C1 ZINC001033987891 683857617 /nfs/dbraw/zinc/85/76/17/683857617.db2.gz AFLUXLFZTDRKMN-LBPRGKRZSA-N 1 2 294.786 1.766 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccncn2)C1 ZINC001033987891 683857619 /nfs/dbraw/zinc/85/76/19/683857619.db2.gz AFLUXLFZTDRKMN-LBPRGKRZSA-N 1 2 294.786 1.766 20 30 CDEDLO C#CC[C@H](CCOC)Nc1cc(NC2CC2)[nH+]cn1 ZINC000858858837 683865812 /nfs/dbraw/zinc/86/58/12/683865812.db2.gz SDJLFDLTAXZRKV-LLVKDONJSA-N 1 2 260.341 1.891 20 30 CDEDLO C#CC[C@H](CCOC)Nc1cc(NC2CC2)nc[nH+]1 ZINC000858858837 683865814 /nfs/dbraw/zinc/86/58/14/683865814.db2.gz SDJLFDLTAXZRKV-LLVKDONJSA-N 1 2 260.341 1.891 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCc2cn[nH]c21 ZINC001027885439 683868052 /nfs/dbraw/zinc/86/80/52/683868052.db2.gz FGGZEOSQTWKMAN-UONOGXRCSA-N 1 2 288.395 1.596 20 30 CDEDLO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCc2cn[nH]c21 ZINC001027885439 683868053 /nfs/dbraw/zinc/86/80/53/683868053.db2.gz FGGZEOSQTWKMAN-UONOGXRCSA-N 1 2 288.395 1.596 20 30 CDEDLO C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CC(C)(C)OC1=O ZINC000795717471 683873843 /nfs/dbraw/zinc/87/38/43/683873843.db2.gz MHJYXXFKZSKKEK-ZIAGYGMSSA-N 1 2 288.347 1.618 20 30 CDEDLO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CC(C)(C)OC1=O ZINC000795717471 683873847 /nfs/dbraw/zinc/87/38/47/683873847.db2.gz MHJYXXFKZSKKEK-ZIAGYGMSSA-N 1 2 288.347 1.618 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCCOC1 ZINC001018117381 683876154 /nfs/dbraw/zinc/87/61/54/683876154.db2.gz XSPOOQAHNBVGHB-LZWOXQAQSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCCOC1 ZINC001018117381 683876155 /nfs/dbraw/zinc/87/61/55/683876155.db2.gz XSPOOQAHNBVGHB-LZWOXQAQSA-N 1 2 276.380 1.112 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1OCC[C@H]1C ZINC001028142411 683880506 /nfs/dbraw/zinc/88/05/06/683880506.db2.gz LNQFBQKKLWRFLU-RTXFEEFZSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1OCC[C@H]1C ZINC001028142411 683880507 /nfs/dbraw/zinc/88/05/07/683880507.db2.gz LNQFBQKKLWRFLU-RTXFEEFZSA-N 1 2 286.803 1.745 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(COC)c(F)c1 ZINC001038956895 683881223 /nfs/dbraw/zinc/88/12/23/683881223.db2.gz JENVWFWWBYGEJO-CQSZACIVSA-N 1 2 290.338 1.409 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(COC)c(F)c1 ZINC001038956895 683881224 /nfs/dbraw/zinc/88/12/24/683881224.db2.gz JENVWFWWBYGEJO-CQSZACIVSA-N 1 2 290.338 1.409 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccncc2)on1 ZINC001038642303 683897046 /nfs/dbraw/zinc/89/70/46/683897046.db2.gz HYMOWNSMRJPIOS-ZDUSSCGKSA-N 1 2 296.330 1.174 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccncc2)on1 ZINC001038642303 683897048 /nfs/dbraw/zinc/89/70/48/683897048.db2.gz HYMOWNSMRJPIOS-ZDUSSCGKSA-N 1 2 296.330 1.174 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CCc3cccnc32)C1 ZINC001043668026 683934992 /nfs/dbraw/zinc/93/49/92/683934992.db2.gz UMPGRYGICCSFAB-HNNXBMFYSA-N 1 2 283.375 1.277 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(F)cc(C#N)c1 ZINC000869862369 683946921 /nfs/dbraw/zinc/94/69/21/683946921.db2.gz ITLIZLIEDRQOMK-AWEZNQCLSA-N 1 2 271.295 1.733 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(F)cc(C#N)c1 ZINC000869862369 683946923 /nfs/dbraw/zinc/94/69/23/683946923.db2.gz ITLIZLIEDRQOMK-AWEZNQCLSA-N 1 2 271.295 1.733 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1-c1ccco1 ZINC001039031197 683955405 /nfs/dbraw/zinc/95/54/05/683955405.db2.gz BKACULZWVWDWMW-LLVKDONJSA-N 1 2 284.319 1.107 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1-c1ccco1 ZINC001039031197 683955407 /nfs/dbraw/zinc/95/54/07/683955407.db2.gz BKACULZWVWDWMW-LLVKDONJSA-N 1 2 284.319 1.107 20 30 CDEDLO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001018878696 684013566 /nfs/dbraw/zinc/01/35/66/684013566.db2.gz PYGVJCBMMLISFU-JGVFFNPUSA-N 1 2 288.672 1.830 20 30 CDEDLO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001018878696 684013571 /nfs/dbraw/zinc/01/35/71/684013571.db2.gz PYGVJCBMMLISFU-JGVFFNPUSA-N 1 2 288.672 1.830 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(OCC)no1 ZINC001038524876 684015169 /nfs/dbraw/zinc/01/51/69/684015169.db2.gz KCUKXJNZPJYWML-SNVBAGLBSA-N 1 2 265.313 1.063 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(OCC)no1 ZINC001038524876 684015171 /nfs/dbraw/zinc/01/51/71/684015171.db2.gz KCUKXJNZPJYWML-SNVBAGLBSA-N 1 2 265.313 1.063 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c(=O)ccoc3c2)C1 ZINC001016006890 684022966 /nfs/dbraw/zinc/02/29/66/684022966.db2.gz QALMOIRJKPQDGW-CYBMUJFWSA-N 1 2 296.326 1.230 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(=O)ccoc3c2)C1 ZINC001016006890 684022967 /nfs/dbraw/zinc/02/29/67/684022967.db2.gz QALMOIRJKPQDGW-CYBMUJFWSA-N 1 2 296.326 1.230 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)CC1CCC1 ZINC000884464130 684027798 /nfs/dbraw/zinc/02/77/98/684027798.db2.gz DMFRWXIPPYYCQF-JQWIXIFHSA-N 1 2 268.357 1.128 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccn(C)c1 ZINC001050875838 684035767 /nfs/dbraw/zinc/03/57/67/684035767.db2.gz GUGGFBCVLORQMA-AWEZNQCLSA-N 1 2 277.368 1.032 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccn(C)c1 ZINC001050875838 684035770 /nfs/dbraw/zinc/03/57/70/684035770.db2.gz GUGGFBCVLORQMA-AWEZNQCLSA-N 1 2 277.368 1.032 20 30 CDEDLO C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@H](O)CC#N ZINC000934416449 684051487 /nfs/dbraw/zinc/05/14/87/684051487.db2.gz XSGXKVOBTHDZCA-CQSZACIVSA-N 1 2 270.336 1.783 20 30 CDEDLO C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@H](O)CC#N ZINC000934416449 684051489 /nfs/dbraw/zinc/05/14/89/684051489.db2.gz XSGXKVOBTHDZCA-CQSZACIVSA-N 1 2 270.336 1.783 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn2ccc(C)cc2n1 ZINC001038472630 684061221 /nfs/dbraw/zinc/06/12/21/684061221.db2.gz CSWGMIFLHGNKMT-CYBMUJFWSA-N 1 2 282.347 1.080 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn2ccc(C)cc2n1 ZINC001038472630 684061225 /nfs/dbraw/zinc/06/12/25/684061225.db2.gz CSWGMIFLHGNKMT-CYBMUJFWSA-N 1 2 282.347 1.080 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)CCn1cnc(Br)n1 ZINC000821387370 684071005 /nfs/dbraw/zinc/07/10/05/684071005.db2.gz RXDDSVCTTWTRAU-MRVPVSSYSA-N 1 2 272.150 1.275 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)CCn1cnc(Br)n1 ZINC000821387370 684071006 /nfs/dbraw/zinc/07/10/06/684071006.db2.gz RXDDSVCTTWTRAU-MRVPVSSYSA-N 1 2 272.150 1.275 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1OCC=C ZINC001032484703 684081806 /nfs/dbraw/zinc/08/18/06/684081806.db2.gz WZFSNBWJUBWYGH-GJZGRUSLSA-N 1 2 296.370 1.783 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1OCC=C ZINC001032484703 684081809 /nfs/dbraw/zinc/08/18/09/684081809.db2.gz WZFSNBWJUBWYGH-GJZGRUSLSA-N 1 2 296.370 1.783 20 30 CDEDLO C#C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCCO1 ZINC000935460037 684105674 /nfs/dbraw/zinc/10/56/74/684105674.db2.gz UIRRTOAMYMGDNN-FZMZJTMJSA-N 1 2 269.304 1.474 20 30 CDEDLO CCn1ncnc1C[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000793343016 684106864 /nfs/dbraw/zinc/10/68/64/684106864.db2.gz ICEQLEBYBAMKKE-UHFFFAOYSA-N 1 2 271.324 1.468 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C)c1F ZINC001038276099 684116564 /nfs/dbraw/zinc/11/65/64/684116564.db2.gz MEFTYFZAHJWJCA-GFCCVEGCSA-N 1 2 260.312 1.571 20 30 CDEDLO C#C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000843968670 684135471 /nfs/dbraw/zinc/13/54/71/684135471.db2.gz YXAMPXAGBKVXNH-CABCVRRESA-N 1 2 279.343 1.936 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC2(F)F)C1 ZINC001035410954 684156128 /nfs/dbraw/zinc/15/61/28/684156128.db2.gz GRFRIHZNXHZLAT-QWRGUYRKSA-N 1 2 274.311 1.035 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC2(F)F)C1 ZINC001035410954 684156129 /nfs/dbraw/zinc/15/61/29/684156129.db2.gz GRFRIHZNXHZLAT-QWRGUYRKSA-N 1 2 274.311 1.035 20 30 CDEDLO C[C@@H]1C[NH+]=C(NN=Cc2cccc(Br)c2O)N1 ZINC000779792162 684157080 /nfs/dbraw/zinc/15/70/80/684157080.db2.gz JZCHJMXCDWMUAN-SSDOTTSWSA-N 1 2 297.156 1.426 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000787139094 684157527 /nfs/dbraw/zinc/15/75/27/684157527.db2.gz QBUMKVNAZZDESE-KGLIPLIRSA-N 1 2 281.400 1.457 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000787139094 684157529 /nfs/dbraw/zinc/15/75/29/684157529.db2.gz QBUMKVNAZZDESE-KGLIPLIRSA-N 1 2 281.400 1.457 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ncccn2)[C@@H]1C ZINC000994075814 684165659 /nfs/dbraw/zinc/16/56/59/684165659.db2.gz YARQBRKOJDIWRT-NWDGAFQWSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ncccn2)[C@@H]1C ZINC000994075814 684165663 /nfs/dbraw/zinc/16/56/63/684165663.db2.gz YARQBRKOJDIWRT-NWDGAFQWSA-N 1 2 294.786 1.812 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nc(C)n1 ZINC001018061039 684213276 /nfs/dbraw/zinc/21/32/76/684213276.db2.gz KNEHVVBCVUSRKF-GASCZTMLSA-N 1 2 298.390 1.406 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nc(C)n1 ZINC001018061039 684213278 /nfs/dbraw/zinc/21/32/78/684213278.db2.gz KNEHVVBCVUSRKF-GASCZTMLSA-N 1 2 298.390 1.406 20 30 CDEDLO Nc1[nH+]cccc1CON=C1CCC2(CC1)OCCO2 ZINC000853654457 684257829 /nfs/dbraw/zinc/25/78/29/684257829.db2.gz SELRIFXIGDTYIB-UHFFFAOYSA-N 1 2 277.324 1.854 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC)c1C ZINC001032580489 684263706 /nfs/dbraw/zinc/26/37/06/684263706.db2.gz PDDRUYPDHWIVAP-GJZGRUSLSA-N 1 2 285.391 1.738 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC)c1C ZINC001032580489 684263710 /nfs/dbraw/zinc/26/37/10/684263710.db2.gz PDDRUYPDHWIVAP-GJZGRUSLSA-N 1 2 285.391 1.738 20 30 CDEDLO C#C[C@@H](NC(=O)Nc1ccn2cc[nH+]c2c1)[C@H]1CCCO1 ZINC000810229217 684282886 /nfs/dbraw/zinc/28/28/86/684282886.db2.gz UUTHTNBQKLJNMI-CHWSQXEVSA-N 1 2 284.319 1.637 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2cccc(Cl)c2C#N)C1 ZINC000128945356 1158896936 /nfs/dbraw/zinc/89/69/36/1158896936.db2.gz ZHTORNLBVMSJLE-SNVBAGLBSA-N 1 2 266.728 1.921 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2cccc(Cl)c2C#N)C1 ZINC000128945356 1158896942 /nfs/dbraw/zinc/89/69/42/1158896942.db2.gz ZHTORNLBVMSJLE-SNVBAGLBSA-N 1 2 266.728 1.921 20 30 CDEDLO CCOC(=O)[C@@H](C#N)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC001170369439 1162344524 /nfs/dbraw/zinc/34/45/24/1162344524.db2.gz VFUNGQRZUVAPBK-GFCCVEGCSA-N 1 2 285.307 1.194 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H]1C ZINC001088871497 1161032340 /nfs/dbraw/zinc/03/23/40/1161032340.db2.gz REAVMOXPLGELQS-POQQGIQPSA-N 1 2 298.814 1.885 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H]1C ZINC001088871497 1161032347 /nfs/dbraw/zinc/03/23/47/1161032347.db2.gz REAVMOXPLGELQS-POQQGIQPSA-N 1 2 298.814 1.885 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001132658117 1163419455 /nfs/dbraw/zinc/41/94/55/1163419455.db2.gz ZFVGLMVVRNHKDH-LLVKDONJSA-N 1 2 280.372 1.440 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C#N)cc1 ZINC000874698400 1165655579 /nfs/dbraw/zinc/65/55/79/1165655579.db2.gz COWXASURXCFGRD-OAHLLOKOSA-N 1 2 287.363 1.399 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(C#N)cc1 ZINC000874698400 1165655580 /nfs/dbraw/zinc/65/55/80/1165655580.db2.gz COWXASURXCFGRD-OAHLLOKOSA-N 1 2 287.363 1.399 20 30 CDEDLO N#CCCCOc1cccnc1NC(=O)C[C@@H]([NH3+])C(F)F ZINC001580051337 1172334533 /nfs/dbraw/zinc/33/45/33/1172334533.db2.gz DSKRTOZAUQDYRY-SECBINFHSA-N 1 2 298.293 1.685 20 30 CDEDLO C=CCCOCC[NH2+]Cc1nc(-c2nn[nH]n2)cs1 ZINC001588617987 1173089357 /nfs/dbraw/zinc/08/93/57/1173089357.db2.gz LTVWKTGXBOARDD-UHFFFAOYSA-N 1 2 280.357 1.006 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2cscn2)CC1 ZINC001716677976 1180362911 /nfs/dbraw/zinc/36/29/11/1180362911.db2.gz PPBQLXWZKJMDFU-VIFPVBQESA-N 1 2 264.354 1.041 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](OC)C(C)C ZINC001753063013 1185031540 /nfs/dbraw/zinc/03/15/40/1185031540.db2.gz FELTXFLQIRFGTH-LLVKDONJSA-N 1 2 262.781 1.458 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](OC)C(C)C ZINC001753063013 1185031545 /nfs/dbraw/zinc/03/15/45/1185031545.db2.gz FELTXFLQIRFGTH-LLVKDONJSA-N 1 2 262.781 1.458 20 30 CDEDLO CN(CC#N)CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001753858719 1185366266 /nfs/dbraw/zinc/36/62/66/1185366266.db2.gz NDUBQNUPAWDQHY-UHFFFAOYSA-N 1 2 297.362 1.400 20 30 CDEDLO Cc1noc([C@@H](C)[NH2+]C[C@H](C)NC(=O)C#CC(C)(C)C)n1 ZINC001754267362 1185541524 /nfs/dbraw/zinc/54/15/24/1185541524.db2.gz HJQRZQMFDMWBSJ-WDEREUQCSA-N 1 2 292.383 1.583 20 30 CDEDLO CC(C)c1nc(C[NH2+]CCCN(C)C(=O)[C@@H](C)C#N)no1 ZINC001754363195 1185597787 /nfs/dbraw/zinc/59/77/87/1185597787.db2.gz NEXOXTOCLXYNRC-NSHDSACASA-N 1 2 293.371 1.291 20 30 CDEDLO C=CCCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2cc(C)on2)C1 ZINC001754746245 1185720826 /nfs/dbraw/zinc/72/08/26/1185720826.db2.gz PDEFNJZHGHDUKT-HNNXBMFYSA-N 1 2 293.367 1.002 20 30 CDEDLO C=CCCC(=O)NC[C@@]1(O)CC[N@H+](Cc2cc(C)on2)C1 ZINC001754746245 1185720829 /nfs/dbraw/zinc/72/08/29/1185720829.db2.gz PDEFNJZHGHDUKT-HNNXBMFYSA-N 1 2 293.367 1.002 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H](C)COC)CO2 ZINC001755065773 1185805886 /nfs/dbraw/zinc/80/58/86/1185805886.db2.gz RKTNMNXWGPDUPW-KGLIPLIRSA-N 1 2 296.411 1.195 20 30 CDEDLO C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccc2[nH]nnc2c1 ZINC001755199692 1185850431 /nfs/dbraw/zinc/85/04/31/1185850431.db2.gz BFAAALRIICHTEL-CYBMUJFWSA-N 1 2 297.362 1.128 20 30 CDEDLO C#CC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc2[nH]nnc2c1 ZINC001755199692 1185850433 /nfs/dbraw/zinc/85/04/33/1185850433.db2.gz BFAAALRIICHTEL-CYBMUJFWSA-N 1 2 297.362 1.128 20 30 CDEDLO CCc1noc(C[NH2+][C@H](C)[C@H](C)NC(=O)C#CC(C)C)n1 ZINC001755251224 1185877658 /nfs/dbraw/zinc/87/76/58/1185877658.db2.gz CTEXOTFROISIRJ-NEPJUHHUSA-N 1 2 292.383 1.274 20 30 CDEDLO C#CC[NH2+]C[C@H](CCCC)NC(=O)c1[nH]ncc1F ZINC001755360250 1185926901 /nfs/dbraw/zinc/92/69/01/1185926901.db2.gz UDYMBBZESPODBW-JTQLQIEISA-N 1 2 266.320 1.060 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCOC(C)C)C1 ZINC001441086231 964355678 /nfs/dbraw/zinc/35/56/78/964355678.db2.gz MOYXOJZAVAEPGB-LBPRGKRZSA-N 1 2 274.792 1.745 20 30 CDEDLO N#CCOc1ccc(C[NH+]2CC(N3CCOCC3)C2)cc1 ZINC001137119458 1166024187 /nfs/dbraw/zinc/02/41/87/1166024187.db2.gz PIBCKXMGGGWXRY-UHFFFAOYSA-N 1 2 287.363 1.105 20 30 CDEDLO N#Cc1ccsc1NC(=O)NCCn1cc[nH+]c1 ZINC001563024188 1168025288 /nfs/dbraw/zinc/02/52/88/1168025288.db2.gz ZXJWZXOJNIGZEF-UHFFFAOYSA-N 1 2 261.310 1.638 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001030762052 912700254 /nfs/dbraw/zinc/70/02/54/912700254.db2.gz FXFXCLZSWSHZRJ-UHFFFAOYSA-N 1 2 286.162 1.759 20 30 CDEDLO C[C@@H](CC(=O)[C@@H](C#N)c1nccn1C)n1cc[nH+]c1 ZINC001122517584 913792806 /nfs/dbraw/zinc/79/28/06/913792806.db2.gz FNIWLDNFFJZWNS-WDEREUQCSA-N 1 2 257.297 1.444 20 30 CDEDLO N#Cc1cc(F)cc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1 ZINC001139876291 893899233 /nfs/dbraw/zinc/89/92/33/893899233.db2.gz QCMBHADQNYUABP-OAHLLOKOSA-N 1 2 289.310 1.772 20 30 CDEDLO N#Cc1cc(F)cc(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1 ZINC001139876291 893899253 /nfs/dbraw/zinc/89/92/53/893899253.db2.gz QCMBHADQNYUABP-OAHLLOKOSA-N 1 2 289.310 1.772 20 30 CDEDLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)CNc1ccc(C#N)nc1 ZINC001104225884 894242163 /nfs/dbraw/zinc/24/21/63/894242163.db2.gz FJFILRMOKAVBHT-NSHDSACASA-N 1 2 298.350 1.083 20 30 CDEDLO N#Cc1nc(NCc2cc[nH+]c(N)c2)cc2nc[nH]c21 ZINC001167612569 897034570 /nfs/dbraw/zinc/03/45/70/897034570.db2.gz CZXSOHUWEIFOJY-UHFFFAOYSA-N 1 2 265.280 1.419 20 30 CDEDLO N#Cc1ccccc1CNc1cc2c(c[nH+]1)OCC(=O)N2 ZINC001167631773 897111390 /nfs/dbraw/zinc/11/13/90/897111390.db2.gz IHVIGXQUIKPGPU-UHFFFAOYSA-N 1 2 280.287 1.896 20 30 CDEDLO Cc1nc(NC[C@@H](C)N(C)C(=O)[C@H](C)C#N)cc[nH+]1 ZINC001104523931 898350319 /nfs/dbraw/zinc/35/03/19/898350319.db2.gz GOBXLVBCLCMKBW-NXEZZACHSA-N 1 2 261.329 1.204 20 30 CDEDLO C#CCO[C@H](C)C(=O)N(C)[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001104684506 898884415 /nfs/dbraw/zinc/88/44/15/898884415.db2.gz ZJBYZACVWYQMHY-NWDGAFQWSA-N 1 2 290.367 1.082 20 30 CDEDLO Cc1noc(NC(=O)c2cnc([C@H](C)[NH3+])s2)c1C#N ZINC001218502732 898978861 /nfs/dbraw/zinc/97/88/61/898978861.db2.gz HQDYXJVOMGQHIV-YFKPBYRVSA-N 1 2 277.309 1.583 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](CC(=C)C)C2)cn1 ZINC001031278531 914328021 /nfs/dbraw/zinc/32/80/21/914328021.db2.gz PZHTUZSTYWFOKG-UHFFFAOYSA-N 1 2 255.321 1.053 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@@H](C)OC)C1 ZINC001267677269 899246165 /nfs/dbraw/zinc/24/61/65/899246165.db2.gz ZXVHQSQOCXCOJS-SNVBAGLBSA-N 1 2 260.765 1.212 20 30 CDEDLO Cc1noc(NC(=O)CN(C)c2cccc[nH+]2)c1C#N ZINC001177408434 914664911 /nfs/dbraw/zinc/66/49/11/914664911.db2.gz HPIUHOJPRCJHFQ-UHFFFAOYSA-N 1 2 271.280 1.325 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccn[nH]1 ZINC001268721265 903008385 /nfs/dbraw/zinc/00/83/85/903008385.db2.gz AQEASJKPLHVLQH-SECBINFHSA-N 1 2 256.737 1.212 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccn[nH]1 ZINC001268721265 903008398 /nfs/dbraw/zinc/00/83/98/903008398.db2.gz AQEASJKPLHVLQH-SECBINFHSA-N 1 2 256.737 1.212 20 30 CDEDLO CC[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CCN1CC#N ZINC001087624740 905726297 /nfs/dbraw/zinc/72/62/97/905726297.db2.gz WPKBSLOQMLNZOZ-DZGCQCFKSA-N 1 2 297.362 1.669 20 30 CDEDLO CCN(C(=O)c1cc(OC)ccc1C#N)C1C[NH+](C)C1 ZINC001189083888 921318206 /nfs/dbraw/zinc/31/82/06/921318206.db2.gz CFFWGHOQHHOCAW-UHFFFAOYSA-N 1 2 273.336 1.343 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2CC2)[C@H](O)C1 ZINC001090007957 921319172 /nfs/dbraw/zinc/31/91/72/921319172.db2.gz AKDLCIIKKBDCEE-NWDGAFQWSA-N 1 2 272.776 1.090 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC2CC2)[C@H](O)C1 ZINC001090007957 921319181 /nfs/dbraw/zinc/31/91/81/921319181.db2.gz AKDLCIIKKBDCEE-NWDGAFQWSA-N 1 2 272.776 1.090 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnsn2)[C@H]1C ZINC001088480620 907419282 /nfs/dbraw/zinc/41/92/82/907419282.db2.gz MVLBWKFEGIUACL-BDAKNGLRSA-N 1 2 286.788 1.483 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnsn2)[C@H]1C ZINC001088480620 907419285 /nfs/dbraw/zinc/41/92/85/907419285.db2.gz MVLBWKFEGIUACL-BDAKNGLRSA-N 1 2 286.788 1.483 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2n[nH]cc2C)[C@H]1C ZINC001088557475 907865106 /nfs/dbraw/zinc/86/51/06/907865106.db2.gz OHQIJQDSIXDFKS-MNOVXSKESA-N 1 2 282.775 1.663 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2n[nH]cc2C)[C@H]1C ZINC001088557475 907865114 /nfs/dbraw/zinc/86/51/14/907865114.db2.gz OHQIJQDSIXDFKS-MNOVXSKESA-N 1 2 282.775 1.663 20 30 CDEDLO Cc1nc(NCCN(C)C(=O)C#CC2CC2)cc[nH+]1 ZINC001101594256 907903273 /nfs/dbraw/zinc/90/32/73/907903273.db2.gz MYQSTLWHCJKGKK-UHFFFAOYSA-N 1 2 258.325 1.069 20 30 CDEDLO C=C(C)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001142511802 908838015 /nfs/dbraw/zinc/83/80/15/908838015.db2.gz CUDIAXOLABLVCP-UHFFFAOYSA-N 1 2 274.364 1.786 20 30 CDEDLO CCc1nnc([C@H](C)[NH2+]CCNC(=O)C#CC(C)C)o1 ZINC001126823062 909322002 /nfs/dbraw/zinc/32/20/02/909322002.db2.gz NUYJTTOPVNHDKC-NSHDSACASA-N 1 2 278.356 1.058 20 30 CDEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1C)c1nccn12 ZINC001092386879 909387984 /nfs/dbraw/zinc/38/79/84/909387984.db2.gz PPIQIJODBDVHAS-MCIONIFRSA-N 1 2 298.390 1.134 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)COCCC)CC2)C1 ZINC001105696929 910501366 /nfs/dbraw/zinc/50/13/66/910501366.db2.gz HSBVCIGBZXZDKV-UHFFFAOYSA-N 1 2 296.411 1.291 20 30 CDEDLO C#CCCCC(=O)N1CCC(OC2C[NH+](CC=C)C2)CC1 ZINC001105705888 910788618 /nfs/dbraw/zinc/78/86/18/910788618.db2.gz NHORXTIINDUSLO-UHFFFAOYSA-N 1 2 290.407 1.668 20 30 CDEDLO O=C(C#Cc1cccnc1)NCc1c[nH+]cn1C1CCC1 ZINC001177780492 914923489 /nfs/dbraw/zinc/92/34/89/914923489.db2.gz WIWIQHJPAKYXKL-UHFFFAOYSA-N 1 2 280.331 1.671 20 30 CDEDLO N#Cc1ccc(NC(=O)CCc2[nH]cc[nH+]2)c(O)c1 ZINC001177996894 915082718 /nfs/dbraw/zinc/08/27/18/915082718.db2.gz OOCIDRRGPQXYQB-UHFFFAOYSA-N 1 2 256.265 1.558 20 30 CDEDLO O=C(CCc1[nH]cc[nH+]1)N/C=C/C(=O)C(F)(F)F ZINC001177998610 915083929 /nfs/dbraw/zinc/08/39/29/915083929.db2.gz WKXCPXCLEKPSOI-ONEGZZNKSA-N 1 2 261.203 1.104 20 30 CDEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(C(C)(C)C#N)nc2)C1 ZINC001180755487 916608028 /nfs/dbraw/zinc/60/80/28/916608028.db2.gz JAOTZNBIWRVSPS-GFCCVEGCSA-N 1 2 288.351 1.152 20 30 CDEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(C(C)(C)C#N)nc2)C1 ZINC001180755487 916608040 /nfs/dbraw/zinc/60/80/40/916608040.db2.gz JAOTZNBIWRVSPS-GFCCVEGCSA-N 1 2 288.351 1.152 20 30 CDEDLO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=NC(=O)N(C)C1)C2 ZINC001097781016 936373905 /nfs/dbraw/zinc/37/39/05/936373905.db2.gz YZQZLHBZBBFFFG-WZRBSPASSA-N 1 2 290.367 1.037 20 30 CDEDLO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=NC(=O)N(C)C1)C2 ZINC001097781016 936373908 /nfs/dbraw/zinc/37/39/08/936373908.db2.gz YZQZLHBZBBFFFG-WZRBSPASSA-N 1 2 290.367 1.037 20 30 CDEDLO Cc1noc(C[NH2+][C@@H]2CCN(C(=O)C#CC(C)(C)C)C2)n1 ZINC001182414814 917865391 /nfs/dbraw/zinc/86/53/91/917865391.db2.gz QHYORZRNUCDXRU-GFCCVEGCSA-N 1 2 290.367 1.118 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCc2cccc(OC)c2C1 ZINC000831939972 936547656 /nfs/dbraw/zinc/54/76/56/936547656.db2.gz JSVWNKSGWAATDJ-LBPRGKRZSA-N 1 2 272.348 1.191 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCc2cccc(OC)c2C1 ZINC000831939972 936547658 /nfs/dbraw/zinc/54/76/58/936547658.db2.gz JSVWNKSGWAATDJ-LBPRGKRZSA-N 1 2 272.348 1.191 20 30 CDEDLO C=CCN1CC[NH+](Cc2cnn(CCC)c2C)CC1 ZINC001138638228 936553330 /nfs/dbraw/zinc/55/33/30/936553330.db2.gz LHTKZQRAWGIHSR-UHFFFAOYSA-N 1 2 262.401 1.905 20 30 CDEDLO CCCn1ncc(C[NH+]2CCN(CCC#N)CC2)c1C ZINC001138638478 936553341 /nfs/dbraw/zinc/55/33/41/936553341.db2.gz UQFANKSPMCEVTK-UHFFFAOYSA-N 1 2 275.400 1.633 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2scnc2C(C)C)C1 ZINC001077801483 919117048 /nfs/dbraw/zinc/11/70/48/919117048.db2.gz UAOOUNPYOIHNRS-GHMZBOCLSA-N 1 2 295.408 1.227 20 30 CDEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2scnc2C(C)C)C1 ZINC001077801483 919117055 /nfs/dbraw/zinc/11/70/55/919117055.db2.gz UAOOUNPYOIHNRS-GHMZBOCLSA-N 1 2 295.408 1.227 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)C(C)C)C1 ZINC001107969537 919342566 /nfs/dbraw/zinc/34/25/66/919342566.db2.gz PJKBYGMLNUYPTJ-QGZVFWFLSA-N 1 2 294.439 1.899 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)C(C)C)C1 ZINC001107969537 919342580 /nfs/dbraw/zinc/34/25/80/919342580.db2.gz PJKBYGMLNUYPTJ-QGZVFWFLSA-N 1 2 294.439 1.899 20 30 CDEDLO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](CC(=O)OCC)CC2 ZINC001272889563 919974392 /nfs/dbraw/zinc/97/43/92/919974392.db2.gz OCWVKCMCKNKLOJ-CYBMUJFWSA-N 1 2 294.395 1.344 20 30 CDEDLO COc1ccncc1C[NH2+]Cc1cccc(C#N)n1 ZINC001462268981 936617099 /nfs/dbraw/zinc/61/70/99/936617099.db2.gz QFENZGXRPYMVBU-UHFFFAOYSA-N 1 2 254.293 1.647 20 30 CDEDLO N#C[C@H]1CN(C(=O)c2ccccc2-n2cc[nH+]c2)CCO1 ZINC001190098756 921822885 /nfs/dbraw/zinc/82/28/85/921822885.db2.gz ZHBOQPTYALJVAQ-LBPRGKRZSA-N 1 2 282.303 1.237 20 30 CDEDLO C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190269686 921946960 /nfs/dbraw/zinc/94/69/60/921946960.db2.gz KOGDHPUSHGNSOA-NXEZZACHSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190269686 921946963 /nfs/dbraw/zinc/94/69/63/921946963.db2.gz KOGDHPUSHGNSOA-NXEZZACHSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001190269686 921946978 /nfs/dbraw/zinc/94/69/78/921946978.db2.gz KOGDHPUSHGNSOA-NXEZZACHSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001190269686 921946990 /nfs/dbraw/zinc/94/69/90/921946990.db2.gz KOGDHPUSHGNSOA-NXEZZACHSA-N 1 2 280.265 1.443 20 30 CDEDLO Cc1nn(C)c(C)c1C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001203050739 936729224 /nfs/dbraw/zinc/72/92/24/936729224.db2.gz DYYHVFHKIPGZGY-CYBMUJFWSA-N 1 2 277.393 1.811 20 30 CDEDLO Cc1nn(C)c(C)c1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001203050739 936729225 /nfs/dbraw/zinc/72/92/25/936729225.db2.gz DYYHVFHKIPGZGY-CYBMUJFWSA-N 1 2 277.393 1.811 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CC(C)C)C[C@@H]21 ZINC001074148446 936734480 /nfs/dbraw/zinc/73/44/80/936734480.db2.gz VLEHGAQKYOYMBV-GJZGRUSLSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CC(C)C)C[C@@H]21 ZINC001074148446 936734482 /nfs/dbraw/zinc/73/44/82/936734482.db2.gz VLEHGAQKYOYMBV-GJZGRUSLSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CCC1(S(=O)(=O)Nc2c(C)[nH+]cn2C)CC1 ZINC001190774069 922190154 /nfs/dbraw/zinc/19/01/54/922190154.db2.gz VVDHSAQDGMNLTR-UHFFFAOYSA-N 1 2 255.343 1.579 20 30 CDEDLO C=CCC1(S(=O)(=O)NC2CC[NH+](CCF)CC2)CC1 ZINC001190832528 922234719 /nfs/dbraw/zinc/23/47/19/922234719.db2.gz BWKWKEINXICTPY-UHFFFAOYSA-N 1 2 290.404 1.448 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2[nH]nc(C)c2C)C1 ZINC001098763754 936761522 /nfs/dbraw/zinc/76/15/22/936761522.db2.gz KGIMEROMPLDXQJ-BBRMVZONSA-N 1 2 286.379 1.244 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2[nH]nc(C)c2C)C1 ZINC001098763754 936761524 /nfs/dbraw/zinc/76/15/24/936761524.db2.gz KGIMEROMPLDXQJ-BBRMVZONSA-N 1 2 286.379 1.244 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001108146184 922771161 /nfs/dbraw/zinc/77/11/61/922771161.db2.gz RDKIBGSIDWMUDG-RHSMWYFYSA-N 1 2 292.423 1.653 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001108146184 922771180 /nfs/dbraw/zinc/77/11/80/922771180.db2.gz RDKIBGSIDWMUDG-RHSMWYFYSA-N 1 2 292.423 1.653 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)/C(C)=C/C)[C@H](O)C1 ZINC001099771771 936807916 /nfs/dbraw/zinc/80/79/16/936807916.db2.gz IGZIAXLUMFMJQC-NDQSOAGKSA-N 1 2 272.776 1.257 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)/C(C)=C/C)[C@H](O)C1 ZINC001099771771 936807918 /nfs/dbraw/zinc/80/79/18/936807918.db2.gz IGZIAXLUMFMJQC-NDQSOAGKSA-N 1 2 272.776 1.257 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)CC)C1 ZINC001108172065 923560307 /nfs/dbraw/zinc/56/03/07/923560307.db2.gz ZEIKNNPSYPIXRQ-OAHLLOKOSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)CC)C1 ZINC001108172065 923560314 /nfs/dbraw/zinc/56/03/14/923560314.db2.gz ZEIKNNPSYPIXRQ-OAHLLOKOSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnccn2)C1 ZINC001079372129 924293447 /nfs/dbraw/zinc/29/34/47/924293447.db2.gz OGEBCLLMCHLBJF-BXKDBHETSA-N 1 2 280.759 1.279 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnccn2)C1 ZINC001079372129 924293453 /nfs/dbraw/zinc/29/34/53/924293453.db2.gz OGEBCLLMCHLBJF-BXKDBHETSA-N 1 2 280.759 1.279 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CC2)C1 ZINC001079743463 924422363 /nfs/dbraw/zinc/42/23/63/924422363.db2.gz QVGOZCBWAXPVIL-MWLCHTKSSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CC2)C1 ZINC001079743463 924422369 /nfs/dbraw/zinc/42/23/69/924422369.db2.gz QVGOZCBWAXPVIL-MWLCHTKSSA-N 1 2 256.777 1.976 20 30 CDEDLO CC[C@@H](SC)C(=O)N1CCC[N@H+](CC#CCOC)CC1 ZINC001195496040 924630049 /nfs/dbraw/zinc/63/00/49/924630049.db2.gz BOKXJERSJDTNNI-CQSZACIVSA-N 1 2 298.452 1.312 20 30 CDEDLO CC[C@@H](SC)C(=O)N1CCC[N@@H+](CC#CCOC)CC1 ZINC001195496040 924630052 /nfs/dbraw/zinc/63/00/52/924630052.db2.gz BOKXJERSJDTNNI-CQSZACIVSA-N 1 2 298.452 1.312 20 30 CDEDLO CCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001081241688 924721112 /nfs/dbraw/zinc/72/11/12/924721112.db2.gz FMKJRQKJSVBKAW-HUUCEWRRSA-N 1 2 287.363 1.284 20 30 CDEDLO CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001081241688 924721117 /nfs/dbraw/zinc/72/11/17/924721117.db2.gz FMKJRQKJSVBKAW-HUUCEWRRSA-N 1 2 287.363 1.284 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)s2)[C@H](OC)C1 ZINC001081288075 924728566 /nfs/dbraw/zinc/72/85/66/924728566.db2.gz YOYHPHFZUMULTP-CHWSQXEVSA-N 1 2 292.404 1.509 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)s2)[C@H](OC)C1 ZINC001081288075 924728567 /nfs/dbraw/zinc/72/85/67/924728567.db2.gz YOYHPHFZUMULTP-CHWSQXEVSA-N 1 2 292.404 1.509 20 30 CDEDLO CCOC(=O)c1cc(N2CC[NH2+]C[C@H]2C#N)ncc1Cl ZINC001164641472 924962210 /nfs/dbraw/zinc/96/22/10/924962210.db2.gz LWSIAXFBFBIPIL-SECBINFHSA-N 1 2 294.742 1.213 20 30 CDEDLO Cc1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)o1 ZINC001084333838 925232757 /nfs/dbraw/zinc/23/27/57/925232757.db2.gz BXGJWMOMSFXQSW-GDBMZVCRSA-N 1 2 299.374 1.429 20 30 CDEDLO Cc1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)o1 ZINC001084333838 925232762 /nfs/dbraw/zinc/23/27/62/925232762.db2.gz BXGJWMOMSFXQSW-GDBMZVCRSA-N 1 2 299.374 1.429 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C[C@@H]21 ZINC001084946347 925515896 /nfs/dbraw/zinc/51/58/96/925515896.db2.gz DBBTVSCCABJBJX-VWYCJHECSA-N 1 2 294.292 1.996 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C[C@@H]21 ZINC001084946347 925515904 /nfs/dbraw/zinc/51/59/04/925515904.db2.gz DBBTVSCCABJBJX-VWYCJHECSA-N 1 2 294.292 1.996 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1conc1C(C)C 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C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)c(C)cn1 ZINC001085736237 926333450 /nfs/dbraw/zinc/33/34/50/926333450.db2.gz DTDNKRHTBHGCFT-AWEZNQCLSA-N 1 2 271.364 1.478 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)c(C)cn1 ZINC001085736237 926333459 /nfs/dbraw/zinc/33/34/59/926333459.db2.gz DTDNKRHTBHGCFT-AWEZNQCLSA-N 1 2 271.364 1.478 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1occ2c1CCC2 ZINC001085743922 926350005 /nfs/dbraw/zinc/35/00/05/926350005.db2.gz XVOYXAVKPIPPBQ-CQSZACIVSA-N 1 2 286.375 1.938 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1occ2c1CCC2 ZINC001085743922 926350015 /nfs/dbraw/zinc/35/00/15/926350015.db2.gz XVOYXAVKPIPPBQ-CQSZACIVSA-N 1 2 286.375 1.938 20 30 CDEDLO C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2n[nH]cc21 ZINC001085755972 926362980 /nfs/dbraw/zinc/36/29/80/926362980.db2.gz WLOBTTFUSAEXJL-CYBMUJFWSA-N 1 2 296.374 1.733 20 30 CDEDLO C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2n[nH]cc21 ZINC001085755972 926362988 /nfs/dbraw/zinc/36/29/88/926362988.db2.gz WLOBTTFUSAEXJL-CYBMUJFWSA-N 1 2 296.374 1.733 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2ccccc2n1C ZINC001085789075 926400648 /nfs/dbraw/zinc/40/06/48/926400648.db2.gz AAEFOGQYWSWMNR-OAHLLOKOSA-N 1 2 295.386 1.958 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2ccccc2n1C ZINC001085789075 926400650 /nfs/dbraw/zinc/40/06/50/926400650.db2.gz AAEFOGQYWSWMNR-OAHLLOKOSA-N 1 2 295.386 1.958 20 30 CDEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2[C@@H](C)C(=O)OCC ZINC001273908733 926411473 /nfs/dbraw/zinc/41/14/73/926411473.db2.gz WTGFHUKVTFTCBD-XJKSGUPXSA-N 1 2 294.395 1.581 20 30 CDEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2[C@@H](C)C(=O)OCC ZINC001273908733 926411476 /nfs/dbraw/zinc/41/14/76/926411476.db2.gz WTGFHUKVTFTCBD-XJKSGUPXSA-N 1 2 294.395 1.581 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(F)c(OC)c1 ZINC001085833617 926438550 /nfs/dbraw/zinc/43/85/50/926438550.db2.gz NQFMFUZVFAWRFM-ZDUSSCGKSA-N 1 2 290.338 1.614 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(F)c(OC)c1 ZINC001085833617 926438554 /nfs/dbraw/zinc/43/85/54/926438554.db2.gz NQFMFUZVFAWRFM-ZDUSSCGKSA-N 1 2 290.338 1.614 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(OC)o1 ZINC001085890960 926482178 /nfs/dbraw/zinc/48/21/78/926482178.db2.gz MSBJJOKQUYJKGD-LLVKDONJSA-N 1 2 262.309 1.068 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(OC)o1 ZINC001085890960 926482182 /nfs/dbraw/zinc/48/21/82/926482182.db2.gz MSBJJOKQUYJKGD-LLVKDONJSA-N 1 2 262.309 1.068 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)[nH]nc1C(C)C ZINC001085917780 926502980 /nfs/dbraw/zinc/50/29/80/926502980.db2.gz KJCJHSHETRFKDN-ZDUSSCGKSA-N 1 2 288.395 1.621 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)[nH]nc1C(C)C ZINC001085917780 926502989 /nfs/dbraw/zinc/50/29/89/926502989.db2.gz KJCJHSHETRFKDN-ZDUSSCGKSA-N 1 2 288.395 1.621 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)n[nH]c1C(C)C ZINC001085917780 926502999 /nfs/dbraw/zinc/50/29/99/926502999.db2.gz KJCJHSHETRFKDN-ZDUSSCGKSA-N 1 2 288.395 1.621 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)n[nH]c1C(C)C ZINC001085917780 926503005 /nfs/dbraw/zinc/50/30/05/926503005.db2.gz KJCJHSHETRFKDN-ZDUSSCGKSA-N 1 2 288.395 1.621 20 30 CDEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2CC#CC)nc1 ZINC001085933536 926517915 /nfs/dbraw/zinc/51/79/15/926517915.db2.gz DTRLBSXRZDXJDD-HNNXBMFYSA-N 1 2 281.359 1.233 20 30 CDEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC#CC)nc1 ZINC001085933536 926517916 /nfs/dbraw/zinc/51/79/16/926517916.db2.gz DTRLBSXRZDXJDD-HNNXBMFYSA-N 1 2 281.359 1.233 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(Cl)cn1CC ZINC001085975942 926561743 /nfs/dbraw/zinc/56/17/43/926561743.db2.gz JWFZIFDAKHQKSO-CYBMUJFWSA-N 1 2 293.798 1.941 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(Cl)cn1CC ZINC001085975942 926561746 /nfs/dbraw/zinc/56/17/46/926561746.db2.gz JWFZIFDAKHQKSO-CYBMUJFWSA-N 1 2 293.798 1.941 20 30 CDEDLO N#CCSCC(=O)N[C@H]1CC[N@H+](Cc2ccns2)C1 ZINC001490523288 927222570 /nfs/dbraw/zinc/22/25/70/927222570.db2.gz QWOIKPSJYZCOPQ-JTQLQIEISA-N 1 2 296.421 1.090 20 30 CDEDLO N#CCSCC(=O)N[C@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001490523288 927222585 /nfs/dbraw/zinc/22/25/85/927222585.db2.gz QWOIKPSJYZCOPQ-JTQLQIEISA-N 1 2 296.421 1.090 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2nc3ccccn3c2C)CC1 ZINC001149266432 937164795 /nfs/dbraw/zinc/16/47/95/937164795.db2.gz OMHCBRDDBAGFQI-UHFFFAOYSA-N 1 2 284.363 1.587 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@@H](F)Oc1cccc(Cl)n1 ZINC001156320292 928042583 /nfs/dbraw/zinc/04/25/83/928042583.db2.gz WDBUBBRVJRMBCO-GZMMTYOYSA-N 1 2 270.695 1.164 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH2+][C@@H]1CCCN(C(C)=O)C1)[C@@H](C)CC ZINC001169577084 928197304 /nfs/dbraw/zinc/19/73/04/928197304.db2.gz NAIDPHMAPBDDEQ-CFVMTHIKSA-N 1 2 296.411 1.731 20 30 CDEDLO C=CC[N@@H+](CC(=O)OCC)CC1(OC)CCCC1 ZINC000692412546 937228709 /nfs/dbraw/zinc/22/87/09/937228709.db2.gz ODGRRKAKKPMSHB-UHFFFAOYSA-N 1 2 255.358 1.997 20 30 CDEDLO C=CC[N@H+](CC(=O)OCC)CC1(OC)CCCC1 ZINC000692412546 937228711 /nfs/dbraw/zinc/22/87/11/937228711.db2.gz ODGRRKAKKPMSHB-UHFFFAOYSA-N 1 2 255.358 1.997 20 30 CDEDLO C=CCOC[C@H](O)CNc1ccc([NH+](C)C)cc1 ZINC001252453770 928406831 /nfs/dbraw/zinc/40/68/31/928406831.db2.gz WTJFKZVFVWMBLR-CQSZACIVSA-N 1 2 250.342 1.728 20 30 CDEDLO C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001109313407 928879506 /nfs/dbraw/zinc/87/95/06/928879506.db2.gz DOCZJZZASWSHSG-VPOLOUISSA-N 1 2 292.276 1.632 20 30 CDEDLO C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001109313407 928879518 /nfs/dbraw/zinc/87/95/18/928879518.db2.gz DOCZJZZASWSHSG-VPOLOUISSA-N 1 2 292.276 1.632 20 30 CDEDLO Cc1nc(N2CC[C@@H](NC(=O)C#CC3CC3)[C@@H](C)C2)cc[nH+]1 ZINC001112407314 937306974 /nfs/dbraw/zinc/30/69/74/937306974.db2.gz NBFHUSZDTZINAD-SWLSCSKDSA-N 1 2 298.390 1.529 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2csnc2C)CC1 ZINC001112770694 929399281 /nfs/dbraw/zinc/39/92/81/929399281.db2.gz VLDCBRSMAGKBPH-UHFFFAOYSA-N 1 2 295.408 1.412 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CC2(COC)CC2)CC1 ZINC001112835932 929480755 /nfs/dbraw/zinc/48/07/55/929480755.db2.gz UJOQWYAFDZDHAS-UHFFFAOYSA-N 1 2 252.358 1.133 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](CC)O2)CC1 ZINC001112902305 929548214 /nfs/dbraw/zinc/54/82/14/929548214.db2.gz KPUDCSXWRZHOCJ-GJZGRUSLSA-N 1 2 296.411 1.291 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001134411785 929735263 /nfs/dbraw/zinc/73/52/63/929735263.db2.gz GHFHBKVHJXHPCN-SNVBAGLBSA-N 1 2 282.413 1.907 20 30 CDEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2COCc1ccccc1 ZINC001273983508 930387758 /nfs/dbraw/zinc/38/77/58/930387758.db2.gz WIQATJBMIRDXOR-IAGOWNOFSA-N 1 2 298.386 1.859 20 30 CDEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2COCc1ccccc1 ZINC001273983508 930387769 /nfs/dbraw/zinc/38/77/69/930387769.db2.gz WIQATJBMIRDXOR-IAGOWNOFSA-N 1 2 298.386 1.859 20 30 CDEDLO C=CCn1cnn(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1=S ZINC001116349373 937442881 /nfs/dbraw/zinc/44/28/81/937442881.db2.gz DSTPBVXVNCZIHJ-CHWSQXEVSA-N 1 2 294.424 1.916 20 30 CDEDLO C=CCn1cnn(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1=S ZINC001116349373 937442882 /nfs/dbraw/zinc/44/28/82/937442882.db2.gz DSTPBVXVNCZIHJ-CHWSQXEVSA-N 1 2 294.424 1.916 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC3(CC3)C2)[C@H](O)C1 ZINC001090559004 931106221 /nfs/dbraw/zinc/10/62/21/931106221.db2.gz HLIYXUBOEZQJKR-QWHCGFSZSA-N 1 2 298.814 1.481 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC3(CC3)C2)[C@H](O)C1 ZINC001090559004 931106222 /nfs/dbraw/zinc/10/62/22/931106222.db2.gz HLIYXUBOEZQJKR-QWHCGFSZSA-N 1 2 298.814 1.481 20 30 CDEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC(=O)OC(C)C ZINC001274061670 931151701 /nfs/dbraw/zinc/15/17/01/931151701.db2.gz LEARXEKPJJPPEF-CHWSQXEVSA-N 1 2 280.368 1.189 20 30 CDEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC(=O)OC(C)C ZINC001274061670 931151706 /nfs/dbraw/zinc/15/17/06/931151706.db2.gz LEARXEKPJJPPEF-CHWSQXEVSA-N 1 2 280.368 1.189 20 30 CDEDLO CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(C#N)ccn2)C1=O ZINC001274579393 931511066 /nfs/dbraw/zinc/51/10/66/931511066.db2.gz LVFUSMIBRBHJDU-HNNXBMFYSA-N 1 2 270.336 1.150 20 30 CDEDLO CN1CC[C@@]2(CCC[N@H+]2Cc2cc(C#N)ccn2)C1=O ZINC001274579393 931511069 /nfs/dbraw/zinc/51/10/69/931511069.db2.gz LVFUSMIBRBHJDU-HNNXBMFYSA-N 1 2 270.336 1.150 20 30 CDEDLO COC(=O)N1CCC[N@H+](Cc2ccc(C#N)cn2)CC1 ZINC001144153624 931672375 /nfs/dbraw/zinc/67/23/75/931672375.db2.gz HNGLKCYXCSEGFN-UHFFFAOYSA-N 1 2 274.324 1.227 20 30 CDEDLO COC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cn2)CC1 ZINC001144153624 931672377 /nfs/dbraw/zinc/67/23/77/931672377.db2.gz HNGLKCYXCSEGFN-UHFFFAOYSA-N 1 2 274.324 1.227 20 30 CDEDLO COC[C@H]1Cn2nccc2C[N@H+](Cc2ccc(C#N)cn2)C1 ZINC001144160848 931675571 /nfs/dbraw/zinc/67/55/71/931675571.db2.gz UVTBQMHXBXUCOA-CQSZACIVSA-N 1 2 297.362 1.428 20 30 CDEDLO COC[C@H]1Cn2nccc2C[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC001144160848 931675575 /nfs/dbraw/zinc/67/55/75/931675575.db2.gz UVTBQMHXBXUCOA-CQSZACIVSA-N 1 2 297.362 1.428 20 30 CDEDLO CC(C)[NH+]1CC(NC(=O)/C=C/C(=O)c2ccccc2)C1 ZINC001144714133 931975924 /nfs/dbraw/zinc/97/59/24/931975924.db2.gz LQAVQYDLMNVYFI-CMDGGOBGSA-N 1 2 272.348 1.634 20 30 CDEDLO C=CCCC(=O)N1CC2(C1)CC[N@H+](Cc1cnon1)C2 ZINC001147182186 932443977 /nfs/dbraw/zinc/44/39/77/932443977.db2.gz QBGZTWVGSNECCO-UHFFFAOYSA-N 1 2 276.340 1.070 20 30 CDEDLO C=CCCC(=O)N1CC2(C1)CC[N@@H+](Cc1cnon1)C2 ZINC001147182186 932443980 /nfs/dbraw/zinc/44/39/80/932443980.db2.gz QBGZTWVGSNECCO-UHFFFAOYSA-N 1 2 276.340 1.070 20 30 CDEDLO COC(=O)CC1CCC([NH+]2CC(C)(C#N)C2)CC1 ZINC001256982820 932726799 /nfs/dbraw/zinc/72/67/99/932726799.db2.gz XYDZRJOAMSLGCU-UHFFFAOYSA-N 1 2 250.342 1.954 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc3ncc(O)cc32)CC1 ZINC001155048104 937626762 /nfs/dbraw/zinc/62/67/62/937626762.db2.gz IVERLVSVGWLCAN-UHFFFAOYSA-N 1 2 297.358 1.884 20 30 CDEDLO C=CC[N@@H+](CC)[C@H](C)CNC(=O)c1[nH]ncc1F ZINC001155089427 937632919 /nfs/dbraw/zinc/63/29/19/937632919.db2.gz QPJVVLFXJRIQFT-SECBINFHSA-N 1 2 254.309 1.175 20 30 CDEDLO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1[nH]ncc1F ZINC001155089427 937632922 /nfs/dbraw/zinc/63/29/22/937632922.db2.gz QPJVVLFXJRIQFT-SECBINFHSA-N 1 2 254.309 1.175 20 30 CDEDLO CSc1c[nH]c2nc[nH+]c(N[C@@H]3C(=O)N(O)C[C@@H]3C)c12 ZINC001171363207 932866540 /nfs/dbraw/zinc/86/65/40/932866540.db2.gz UKNKGGQSZZBERU-RCOVLWMOSA-N 1 2 293.352 1.328 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(OC(F)F)c1 ZINC000563004646 933866125 /nfs/dbraw/zinc/86/61/25/933866125.db2.gz LJZIUSQBTCBKHT-LBPRGKRZSA-N 1 2 299.321 1.906 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(OC(F)F)c1 ZINC000563004646 933866131 /nfs/dbraw/zinc/86/61/31/933866131.db2.gz LJZIUSQBTCBKHT-LBPRGKRZSA-N 1 2 299.321 1.906 20 30 CDEDLO C=CC[C@@](C)([NH2+][C@H](C)CCC(=O)OC)C(=O)OC ZINC001258364912 934819933 /nfs/dbraw/zinc/81/99/33/934819933.db2.gz UGRKGYXYYIKHNT-ZWNOBZJWSA-N 1 2 257.330 1.426 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nccn3C)C[C@H]21 ZINC001114670976 934902933 /nfs/dbraw/zinc/90/29/33/934902933.db2.gz BDCIBXDLWXVZRE-IMRBUKKESA-N 1 2 288.395 1.179 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nccn3C)C[C@H]21 ZINC001114670976 934902936 /nfs/dbraw/zinc/90/29/36/934902936.db2.gz BDCIBXDLWXVZRE-IMRBUKKESA-N 1 2 288.395 1.179 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cncc(Cl)c1 ZINC001038807873 935758095 /nfs/dbraw/zinc/75/80/95/935758095.db2.gz GFDMCSMLAJGYQM-LBPRGKRZSA-N 1 2 263.728 1.172 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cncc(Cl)c1 ZINC001038807873 935758098 /nfs/dbraw/zinc/75/80/98/935758098.db2.gz GFDMCSMLAJGYQM-LBPRGKRZSA-N 1 2 263.728 1.172 20 30 CDEDLO C=CCOCC(=O)N1C[C@H](Nc2cc[nH+]c(C)n2)C[C@H]1C ZINC001123213548 936126370 /nfs/dbraw/zinc/12/63/70/936126370.db2.gz LQOCCSCJEXIKME-DGCLKSJQSA-N 1 2 290.367 1.389 20 30 CDEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1O)C2 ZINC001096991383 936249824 /nfs/dbraw/zinc/24/98/24/936249824.db2.gz RXDNSEQDUPFYEO-UPJWGTAASA-N 1 2 285.347 1.146 20 30 CDEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1O)C2 ZINC001096991383 936249826 /nfs/dbraw/zinc/24/98/26/936249826.db2.gz RXDNSEQDUPFYEO-UPJWGTAASA-N 1 2 285.347 1.146 20 30 CDEDLO C#C[C@@H](C)N(C)c1nnc(C[NH+]2CCCCC2)n1C ZINC001121494165 937874300 /nfs/dbraw/zinc/87/43/00/937874300.db2.gz DQFMVBISENULEZ-GFCCVEGCSA-N 1 2 261.373 1.259 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2nc(Cl)c(F)cc2C#N)C[NH2+]1 ZINC001156240547 938339902 /nfs/dbraw/zinc/33/99/02/938339902.db2.gz QZTUCRYTAOWCOV-CBAPKCEASA-N 1 2 298.705 1.061 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2cc(C#N)c3ccccc3n2)C[NH2+]1 ZINC001156248689 938340931 /nfs/dbraw/zinc/34/09/31/938340931.db2.gz GBXHFUABJYHZFA-FZMZJTMJSA-N 1 2 296.330 1.422 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC001156332303 938352896 /nfs/dbraw/zinc/35/28/96/938352896.db2.gz INMNZRFJFUHXRX-LBPRGKRZSA-N 1 2 283.291 1.445 20 30 CDEDLO C#CCCCC(=O)NCCC[NH2+]Cc1noc(C2CC2)n1 ZINC001157182818 938464140 /nfs/dbraw/zinc/46/41/40/938464140.db2.gz GCSQRDFAGBPPII-UHFFFAOYSA-N 1 2 290.367 1.346 20 30 CDEDLO C=CCO[C@@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccon1 ZINC001157217663 938466702 /nfs/dbraw/zinc/46/67/02/938466702.db2.gz VGLMCEDDOVNKDI-OLZOCXBDSA-N 1 2 295.383 1.592 20 30 CDEDLO C=CCO[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccon1 ZINC001157217663 938466703 /nfs/dbraw/zinc/46/67/03/938466703.db2.gz VGLMCEDDOVNKDI-OLZOCXBDSA-N 1 2 295.383 1.592 20 30 CDEDLO N#Cc1c[nH]c2ncnc(N[C@@H]3CCC[N@@H+](C4COC4)C3)c12 ZINC001157580804 938514720 /nfs/dbraw/zinc/51/47/20/938514720.db2.gz KIWQQMGZRXPJPK-LLVKDONJSA-N 1 2 298.350 1.105 20 30 CDEDLO N#Cc1c[nH]c2ncnc(N[C@@H]3CCC[N@H+](C4COC4)C3)c12 ZINC001157580804 938514721 /nfs/dbraw/zinc/51/47/21/938514721.db2.gz KIWQQMGZRXPJPK-LLVKDONJSA-N 1 2 298.350 1.105 20 30 CDEDLO CON=CC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001159294543 938719229 /nfs/dbraw/zinc/71/92/29/938719229.db2.gz MLAANEKCOXBLQS-UHFFFAOYSA-N 1 2 292.726 1.774 20 30 CDEDLO N#Cc1nc(NCCn2cc[nH+]c2)sc1Cl ZINC001161964706 938949750 /nfs/dbraw/zinc/94/97/50/938949750.db2.gz NHTWABBPXSUSSR-UHFFFAOYSA-N 1 2 253.718 1.977 20 30 CDEDLO Cc1cc(N(C(N)=[NH2+])c2ccc(C#N)c(C)n2)n[nH]1 ZINC001163509450 939278824 /nfs/dbraw/zinc/27/88/24/939278824.db2.gz JECUHEWYQPVPDL-UHFFFAOYSA-N 1 2 255.285 1.325 20 30 CDEDLO COC(=O)[C@]1(F)CCN(c2ccc(CC#N)c(C)[nH+]2)C1 ZINC001163994030 939376579 /nfs/dbraw/zinc/37/65/79/939376579.db2.gz ZTZHKWYIXJXWBM-AWEZNQCLSA-N 1 2 277.299 1.548 20 30 CDEDLO Cc1ccc(CC#N)c(N2CCN(C)C(=O)[C@H]2C)[nH+]1 ZINC001167038143 939675047 /nfs/dbraw/zinc/67/50/47/939675047.db2.gz SVNVXGKHUNBHIP-LLVKDONJSA-N 1 2 258.325 1.123 20 30 CDEDLO Cc1c[nH+]c(C)c(Nc2nc(C#N)c(C#N)nc2N)c1 ZINC001203656230 939699819 /nfs/dbraw/zinc/69/98/19/939699819.db2.gz NFPUQEYYKCSQDH-UHFFFAOYSA-N 1 2 265.280 1.558 20 30 CDEDLO C=CCN1CC[NH+](Cc2cccc(C(=O)OC)c2)CC1 ZINC001204665207 939784357 /nfs/dbraw/zinc/78/43/57/939784357.db2.gz CBGVJLKMMGIUJN-UHFFFAOYSA-N 1 2 274.364 1.777 20 30 CDEDLO CC(=O)N1CCC[N@H+](Cc2cc(F)cc(C#N)c2)CC1 ZINC000163588282 939937781 /nfs/dbraw/zinc/93/77/81/939937781.db2.gz JWLIINOVPCIUJZ-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO CC(=O)N1CCC[N@@H+](Cc2cc(F)cc(C#N)c2)CC1 ZINC000163588282 939937785 /nfs/dbraw/zinc/93/77/85/939937785.db2.gz JWLIINOVPCIUJZ-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C)nn2C)C1 ZINC001205940871 939958138 /nfs/dbraw/zinc/95/81/38/939958138.db2.gz ATZQLQFHHHVKLT-ZDUSSCGKSA-N 1 2 292.383 1.605 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)nn2C)C1 ZINC001205940871 939958141 /nfs/dbraw/zinc/95/81/41/939958141.db2.gz ATZQLQFHHHVKLT-ZDUSSCGKSA-N 1 2 292.383 1.605 20 30 CDEDLO Cn1nccc1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001206322631 940017696 /nfs/dbraw/zinc/01/76/96/940017696.db2.gz KZRZUUQFSCWDDW-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO Cn1nccc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001206322631 940017702 /nfs/dbraw/zinc/01/77/02/940017702.db2.gz KZRZUUQFSCWDDW-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccnn2C)C1 ZINC001206374403 940028041 /nfs/dbraw/zinc/02/80/41/940028041.db2.gz JKGBIBDZGHQENX-LBPRGKRZSA-N 1 2 278.356 1.297 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccnn2C)C1 ZINC001206374403 940028043 /nfs/dbraw/zinc/02/80/43/940028043.db2.gz JKGBIBDZGHQENX-LBPRGKRZSA-N 1 2 278.356 1.297 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1-c1ccc(C#N)cc1N ZINC001213346850 940770249 /nfs/dbraw/zinc/77/02/49/940770249.db2.gz GIGXLVDARFFFHA-UHFFFAOYSA-N 1 2 271.280 1.085 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001213357340 940770504 /nfs/dbraw/zinc/77/05/04/940770504.db2.gz PYTPFUQUEBZFPE-VXGBXAGGSA-N 1 2 258.337 1.128 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001213357340 940770506 /nfs/dbraw/zinc/77/05/06/940770506.db2.gz PYTPFUQUEBZFPE-VXGBXAGGSA-N 1 2 258.337 1.128 20 30 CDEDLO C=CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csnn2)C1 ZINC001214302132 940814490 /nfs/dbraw/zinc/81/44/90/940814490.db2.gz SSVKIHRSHZYUGY-ZYHUDNBSSA-N 1 2 280.397 1.441 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)C(C)C)[C@H]2C1 ZINC001217488351 940995866 /nfs/dbraw/zinc/99/58/66/940995866.db2.gz VOIQSAXGSSTIOG-SOUVJXGZSA-N 1 2 278.396 1.213 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)C(C)C)[C@H]2C1 ZINC001217488351 940995869 /nfs/dbraw/zinc/99/58/69/940995869.db2.gz VOIQSAXGSSTIOG-SOUVJXGZSA-N 1 2 278.396 1.213 20 30 CDEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](F)CC)C[C@@H]21 ZINC001217503922 940996905 /nfs/dbraw/zinc/99/69/05/940996905.db2.gz OVEPKONLCVHWQM-MELADBBJSA-N 1 2 284.375 1.612 20 30 CDEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](F)CC)C[C@@H]21 ZINC001217503922 940996906 /nfs/dbraw/zinc/99/69/06/940996906.db2.gz OVEPKONLCVHWQM-MELADBBJSA-N 1 2 284.375 1.612 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001220280887 941432103 /nfs/dbraw/zinc/43/21/03/941432103.db2.gz XKQSQLPJXCLWND-ZHLPHTHLSA-N 1 2 286.803 1.503 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001220280887 941432105 /nfs/dbraw/zinc/43/21/05/941432105.db2.gz XKQSQLPJXCLWND-ZHLPHTHLSA-N 1 2 286.803 1.503 20 30 CDEDLO COc1ccc(OC)c(/C(=N/O)O[C@@H]2CCC[N@H+](C)C2)c1 ZINC001223892515 941705216 /nfs/dbraw/zinc/70/52/16/941705216.db2.gz JOQDQZMUXAKJCL-KXEGMRRWSA-N 1 2 294.351 1.950 20 30 CDEDLO COc1ccc(OC)c(/C(=N/O)O[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001223892515 941705218 /nfs/dbraw/zinc/70/52/18/941705218.db2.gz JOQDQZMUXAKJCL-KXEGMRRWSA-N 1 2 294.351 1.950 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2ccc(F)cc2C#N)C1 ZINC001227021476 942116717 /nfs/dbraw/zinc/11/67/17/942116717.db2.gz HSELDTJMURPHOJ-GFCCVEGCSA-N 1 2 250.273 1.407 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2ccc(F)cc2C#N)C1 ZINC001227021476 942116721 /nfs/dbraw/zinc/11/67/21/942116721.db2.gz HSELDTJMURPHOJ-GFCCVEGCSA-N 1 2 250.273 1.407 20 30 CDEDLO C#CCCCC(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001227084842 942129069 /nfs/dbraw/zinc/12/90/69/942129069.db2.gz LXCZICAMDOXXTI-UHFFFAOYSA-N 1 2 288.395 1.304 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(Cl)nc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227285818 942163223 /nfs/dbraw/zinc/16/32/23/942163223.db2.gz WZUXRAWWLPISKD-NTBMCGCHSA-N 1 2 284.718 1.865 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(Cl)nc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227285818 942163224 /nfs/dbraw/zinc/16/32/24/942163224.db2.gz WZUXRAWWLPISKD-NTBMCGCHSA-N 1 2 284.718 1.865 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncnc4cccnc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228012263 942257095 /nfs/dbraw/zinc/25/70/95/942257095.db2.gz GBKQCAMRZAZNPV-LSVRBPJHSA-N 1 2 284.319 1.016 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncnc4cccnc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228012263 942257098 /nfs/dbraw/zinc/25/70/98/942257098.db2.gz GBKQCAMRZAZNPV-LSVRBPJHSA-N 1 2 284.319 1.016 20 30 CDEDLO C[N+](C)(C)C[C@@H](CC#N)Oc1[nH]c(=O)nc2cccnc21 ZINC001228011299 942257336 /nfs/dbraw/zinc/25/73/36/942257336.db2.gz YWGNIYNJZWDIOR-SNVBAGLBSA-O 1 2 288.331 1.098 20 30 CDEDLO Cc1ncc(Cl)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)n1 ZINC001228288264 942291336 /nfs/dbraw/zinc/29/13/36/942291336.db2.gz FOIUEKDQGVUYEP-ZQLNZSQWSA-N 1 2 281.743 1.430 20 30 CDEDLO Cc1ncc(Cl)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)n1 ZINC001228288264 942291342 /nfs/dbraw/zinc/29/13/42/942291342.db2.gz FOIUEKDQGVUYEP-ZQLNZSQWSA-N 1 2 281.743 1.430 20 30 CDEDLO O=C1C=CC(=O)c2c(O[C@H]3C[NH+]4CCC3CC4)ccc(O)c21 ZINC001229407018 942465691 /nfs/dbraw/zinc/46/56/91/942465691.db2.gz HROGHSPLEPEPCB-HNNXBMFYSA-N 1 2 299.326 1.800 20 30 CDEDLO COCC(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001230539175 942634593 /nfs/dbraw/zinc/63/45/93/942634593.db2.gz RTGYQEDLGRKZCY-MRXNPFEDSA-N 1 2 286.375 1.217 20 30 CDEDLO COCC(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001230539175 942634595 /nfs/dbraw/zinc/63/45/95/942634595.db2.gz RTGYQEDLGRKZCY-MRXNPFEDSA-N 1 2 286.375 1.217 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccoc1 ZINC001230752326 942689217 /nfs/dbraw/zinc/68/92/17/942689217.db2.gz FYIUNEMFQWPICV-CQSZACIVSA-N 1 2 276.336 1.076 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccoc1 ZINC001230752326 942689218 /nfs/dbraw/zinc/68/92/18/942689218.db2.gz FYIUNEMFQWPICV-CQSZACIVSA-N 1 2 276.336 1.076 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)CSC ZINC001231234546 942826490 /nfs/dbraw/zinc/82/64/90/942826490.db2.gz UJNVCMWBHJWHFH-UONOGXRCSA-N 1 2 298.452 1.168 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)CSC ZINC001231234546 942826492 /nfs/dbraw/zinc/82/64/92/942826492.db2.gz UJNVCMWBHJWHFH-UONOGXRCSA-N 1 2 298.452 1.168 20 30 CDEDLO C#Cc1cccc(C[NH+]2CCN(C(=O)CC)CC2)c1 ZINC001231656799 942963816 /nfs/dbraw/zinc/96/38/16/942963816.db2.gz RTPITTRXRAZVGJ-UHFFFAOYSA-N 1 2 256.349 1.722 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cncc3cnccc32)CC1 ZINC001232652099 943344045 /nfs/dbraw/zinc/34/40/45/943344045.db2.gz HWOUXBLRLVLAEI-UHFFFAOYSA-N 1 2 266.348 1.381 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(O)c(F)c(F)c2)CC1 ZINC001232971774 943451400 /nfs/dbraw/zinc/45/14/00/943451400.db2.gz AFROUUODOILVAZ-UHFFFAOYSA-N 1 2 266.291 1.421 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@H+](Cc2[nH]ccc2C#N)CC1 ZINC001233048635 943475878 /nfs/dbraw/zinc/47/58/78/943475878.db2.gz IHSKVAZDMUILAF-LLVKDONJSA-N 1 2 261.325 1.661 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@@H+](Cc2[nH]ccc2C#N)CC1 ZINC001233048635 943475880 /nfs/dbraw/zinc/47/58/80/943475880.db2.gz IHSKVAZDMUILAF-LLVKDONJSA-N 1 2 261.325 1.661 20 30 CDEDLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1O ZINC001233383562 943570414 /nfs/dbraw/zinc/57/04/14/943570414.db2.gz MNXYHVQLUVZFCJ-ZDUSSCGKSA-N 1 2 274.320 1.791 20 30 CDEDLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1O ZINC001233383562 943570416 /nfs/dbraw/zinc/57/04/16/943570416.db2.gz MNXYHVQLUVZFCJ-ZDUSSCGKSA-N 1 2 274.320 1.791 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(C#N)cc2O)CC1 ZINC001233388280 943575687 /nfs/dbraw/zinc/57/56/87/943575687.db2.gz SSGPGPGZDGPPJZ-UHFFFAOYSA-N 1 2 299.330 1.543 20 30 CDEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)CSC ZINC001233654646 943633248 /nfs/dbraw/zinc/63/32/48/943633248.db2.gz CLACZOTXHGLMFQ-UHFFFAOYSA-N 1 2 295.246 1.696 20 30 CDEDLO C=C(Br)C[N@H+](C)CCCNC(=O)CSC ZINC001233654646 943633251 /nfs/dbraw/zinc/63/32/51/943633251.db2.gz CLACZOTXHGLMFQ-UHFFFAOYSA-N 1 2 295.246 1.696 20 30 CDEDLO C#CCN(C)c1nnc([C@H]2CCCC[N@@H+]2C)n1CC ZINC001263055869 943726976 /nfs/dbraw/zinc/72/69/76/943726976.db2.gz LSBGQCWBFWNZOO-GFCCVEGCSA-N 1 2 261.373 1.524 20 30 CDEDLO C#CCN(C)c1nnc([C@H]2CCCC[N@H+]2C)n1CC ZINC001263055869 943726978 /nfs/dbraw/zinc/72/69/78/943726978.db2.gz LSBGQCWBFWNZOO-GFCCVEGCSA-N 1 2 261.373 1.524 20 30 CDEDLO COc1c(F)nccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001234258476 943784506 /nfs/dbraw/zinc/78/45/06/943784506.db2.gz ORCKVXXSTYMFFA-ADAFDVPTSA-N 1 2 280.299 1.221 20 30 CDEDLO COc1c(F)nccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001234258476 943784508 /nfs/dbraw/zinc/78/45/08/943784508.db2.gz ORCKVXXSTYMFFA-ADAFDVPTSA-N 1 2 280.299 1.221 20 30 CDEDLO COc1cc(F)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cc1F ZINC001234271240 943788494 /nfs/dbraw/zinc/78/84/94/943788494.db2.gz NMQGDCUUSAXBOR-LDGUKNRMSA-N 1 2 297.301 1.965 20 30 CDEDLO COc1cc(F)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cc1F ZINC001234271240 943788500 /nfs/dbraw/zinc/78/85/00/943788500.db2.gz NMQGDCUUSAXBOR-LDGUKNRMSA-N 1 2 297.301 1.965 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001234425657 943834619 /nfs/dbraw/zinc/83/46/19/943834619.db2.gz ORUKESMZTMZWFK-ZJUUUORDSA-N 1 2 282.281 1.996 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001234425657 943834625 /nfs/dbraw/zinc/83/46/25/943834625.db2.gz ORUKESMZTMZWFK-ZJUUUORDSA-N 1 2 282.281 1.996 20 30 CDEDLO N#CCC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccsc1 ZINC001277936289 944114754 /nfs/dbraw/zinc/11/47/54/944114754.db2.gz FAMCFMUNHTYFHQ-KBPBESRZSA-N 1 2 289.404 1.879 20 30 CDEDLO N#CCC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccsc1 ZINC001277936289 944114756 /nfs/dbraw/zinc/11/47/56/944114756.db2.gz FAMCFMUNHTYFHQ-KBPBESRZSA-N 1 2 289.404 1.879 20 30 CDEDLO CC(C)NC(=O)N1C[C@@H]2CC[N@H+](CCC#N)[C@@H]2C1 ZINC001277942061 944140393 /nfs/dbraw/zinc/14/03/93/944140393.db2.gz ZVYMBWKSKNBMNJ-NWDGAFQWSA-N 1 2 250.346 1.024 20 30 CDEDLO CC(C)NC(=O)N1C[C@@H]2CC[N@@H+](CCC#N)[C@@H]2C1 ZINC001277942061 944140397 /nfs/dbraw/zinc/14/03/97/944140397.db2.gz ZVYMBWKSKNBMNJ-NWDGAFQWSA-N 1 2 250.346 1.024 20 30 CDEDLO C=CCC[C@H](C)[N@H+]1C[C@@](O)(C(F)(F)F)C[C@H]1C(=O)OC ZINC001258725318 945392997 /nfs/dbraw/zinc/39/29/97/945392997.db2.gz KCZGSTGRULYHNQ-JBLDHEPKSA-N 1 2 295.301 1.882 20 30 CDEDLO C=CCC[C@H](C)[N@@H+]1C[C@@](O)(C(F)(F)F)C[C@H]1C(=O)OC ZINC001258725318 945393006 /nfs/dbraw/zinc/39/30/06/945393006.db2.gz KCZGSTGRULYHNQ-JBLDHEPKSA-N 1 2 295.301 1.882 20 30 CDEDLO C=CCS(=O)(=O)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001259929642 945713487 /nfs/dbraw/zinc/71/34/87/945713487.db2.gz NYGSWEMRGCNIQT-ZDUSSCGKSA-N 1 2 282.365 1.441 20 30 CDEDLO COc1ncnc2c1CC[N@@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC001254669283 947584717 /nfs/dbraw/zinc/58/47/17/947584717.db2.gz QHJZLNMDVIUYQK-WDEREUQCSA-N 1 2 258.325 1.536 20 30 CDEDLO COc1ncnc2c1CC[N@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC001254669283 947584722 /nfs/dbraw/zinc/58/47/22/947584722.db2.gz QHJZLNMDVIUYQK-WDEREUQCSA-N 1 2 258.325 1.536 20 30 CDEDLO C=C[C@@H](COC)NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC001255018183 947694110 /nfs/dbraw/zinc/69/41/10/947694110.db2.gz CEYXOVMRDSIMSK-NEPJUHHUSA-N 1 2 278.356 1.120 20 30 CDEDLO C=C[C@@H](COC)NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC001255018185 947694976 /nfs/dbraw/zinc/69/49/76/947694976.db2.gz CEYXOVMRDSIMSK-RYUDHWBXSA-N 1 2 278.356 1.120 20 30 CDEDLO C=CC[C@@](C)([NH2+][C@@H]1CC[C@H](C(=O)OCC)C1)C(=O)OC ZINC001257045206 948497459 /nfs/dbraw/zinc/49/74/59/948497459.db2.gz AUBGFIMDFQIEGI-YWPYICTPSA-N 1 2 283.368 1.816 20 30 CDEDLO CCC(C#N)(CC)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC001257230889 948555317 /nfs/dbraw/zinc/55/53/17/948555317.db2.gz LERGYCLVVLPHCR-UHFFFAOYSA-N 1 2 273.402 1.082 20 30 CDEDLO C#CC[NH+]1CCN(Cc2nc(Br)oc2C)CC1 ZINC001249390650 949547467 /nfs/dbraw/zinc/54/74/67/949547467.db2.gz ZCZVTMHTTVOWBK-UHFFFAOYSA-N 1 2 298.184 1.496 20 30 CDEDLO CN(C)c1cc(F)cc(C[NH+]2CCN(CCC#N)CC2)c1 ZINC001249952764 949911965 /nfs/dbraw/zinc/91/19/65/949911965.db2.gz LLYBGZPGOLXALO-UHFFFAOYSA-N 1 2 290.386 1.923 20 30 CDEDLO C[C@@]1(C#N)CC[N@H+](C[C@H](O)COc2ccc(F)cc2F)C1 ZINC001250861173 950439328 /nfs/dbraw/zinc/43/93/28/950439328.db2.gz IJLTTWAMUMLAGL-WFASDCNBSA-N 1 2 296.317 1.940 20 30 CDEDLO C[C@@]1(C#N)CC[N@@H+](C[C@H](O)COc2ccc(F)cc2F)C1 ZINC001250861173 950439338 /nfs/dbraw/zinc/43/93/38/950439338.db2.gz IJLTTWAMUMLAGL-WFASDCNBSA-N 1 2 296.317 1.940 20 30 CDEDLO C=C[C@@H](O)C[NH2+][C@H](C(=O)OC(C)(C)C)C(C)(C)C ZINC001253608817 951994621 /nfs/dbraw/zinc/99/46/21/951994621.db2.gz HIZSQYALQXLRKZ-GHMZBOCLSA-N 1 2 257.374 1.879 20 30 CDEDLO C=C[C@@H](COC)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC001325638906 954003004 /nfs/dbraw/zinc/00/30/04/954003004.db2.gz NEHNAIHXWNOCQM-HNNXBMFYSA-N 1 2 285.347 1.862 20 30 CDEDLO C=C(C)CN(C)C(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001328962404 955583877 /nfs/dbraw/zinc/58/38/77/955583877.db2.gz JXEDRGKXKMBGSP-GFCCVEGCSA-N 1 2 290.367 1.150 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cnc(OC)nc1 ZINC001422893201 956434236 /nfs/dbraw/zinc/43/42/36/956434236.db2.gz BGVJYBURQOXRGQ-JTQLQIEISA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cnc(OC)nc1 ZINC001422893201 956434240 /nfs/dbraw/zinc/43/42/40/956434240.db2.gz BGVJYBURQOXRGQ-JTQLQIEISA-N 1 2 298.774 1.288 20 30 CDEDLO C#CC1(O)C[NH+](C[C@H](C)COCc2ccccc2)C1 ZINC001308137786 956476792 /nfs/dbraw/zinc/47/67/92/956476792.db2.gz SKSPPHSAELYIHE-AWEZNQCLSA-N 1 2 259.349 1.519 20 30 CDEDLO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1csnn1 ZINC001330652214 956542158 /nfs/dbraw/zinc/54/21/58/956542158.db2.gz LKEKOPFPIIWGRK-JTQLQIEISA-N 1 2 266.370 1.727 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@](C)(O)C1CC1 ZINC001366530966 956928332 /nfs/dbraw/zinc/92/83/32/956928332.db2.gz YQGYMWHBZAMEHC-ZDUSSCGKSA-N 1 2 274.792 1.338 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@](C)(O)C1CC1 ZINC001366530966 956928336 /nfs/dbraw/zinc/92/83/36/956928336.db2.gz YQGYMWHBZAMEHC-ZDUSSCGKSA-N 1 2 274.792 1.338 20 30 CDEDLO COc1ncc(NC(=O)NCc2ccc[nH+]c2N)cc1C#N ZINC001366766793 957176720 /nfs/dbraw/zinc/17/67/20/957176720.db2.gz XNJDKMUVFNJTER-UHFFFAOYSA-N 1 2 298.306 1.261 20 30 CDEDLO C=C(Cl)CN1CC([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001425247780 957499359 /nfs/dbraw/zinc/49/93/59/957499359.db2.gz WIONEXVOUFSLEW-LBPRGKRZSA-N 1 2 296.802 1.462 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCn2cccn2)C1 ZINC001369957476 959931777 /nfs/dbraw/zinc/93/17/77/959931777.db2.gz PEPQSMDOGGDWFC-LBPRGKRZSA-N 1 2 282.775 1.216 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCn2cccn2)C1 ZINC001369957476 959931796 /nfs/dbraw/zinc/93/17/96/959931796.db2.gz PEPQSMDOGGDWFC-LBPRGKRZSA-N 1 2 282.775 1.216 20 30 CDEDLO Cc1nc([C@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H](C)C#N)C2)no1 ZINC001418623349 960819065 /nfs/dbraw/zinc/81/90/65/960819065.db2.gz WYCRQWVWCLGBQE-DMWPJOQESA-N 1 2 291.355 1.083 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCc1cc(C)on1 ZINC001420301632 962706623 /nfs/dbraw/zinc/70/66/23/962706623.db2.gz PKJZZYNEWBALNU-UHFFFAOYSA-N 1 2 285.775 1.716 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCc1cc(C)on1 ZINC001420301632 962706634 /nfs/dbraw/zinc/70/66/34/962706634.db2.gz PKJZZYNEWBALNU-UHFFFAOYSA-N 1 2 285.775 1.716 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnn2cc[nH]c12 ZINC001420334725 962757717 /nfs/dbraw/zinc/75/77/17/962757717.db2.gz FKBDRFSUIWHVOW-UHFFFAOYSA-N 1 2 281.747 1.077 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnn2cc[nH]c12 ZINC001420334725 962757726 /nfs/dbraw/zinc/75/77/26/962757726.db2.gz FKBDRFSUIWHVOW-UHFFFAOYSA-N 1 2 281.747 1.077 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc(F)c[nH]1 ZINC001438899872 963592196 /nfs/dbraw/zinc/59/21/96/963592196.db2.gz XVKZHPCYICJGJV-UHFFFAOYSA-N 1 2 273.739 1.910 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc(F)c[nH]1 ZINC001438899872 963592198 /nfs/dbraw/zinc/59/21/98/963592198.db2.gz XVKZHPCYICJGJV-UHFFFAOYSA-N 1 2 273.739 1.910 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1cn(C)nc1C ZINC001439329098 963724632 /nfs/dbraw/zinc/72/46/32/963724632.db2.gz FKFDOJSQNBJZGU-LLVKDONJSA-N 1 2 298.818 1.460 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1cn(C)nc1C ZINC001439329098 963724636 /nfs/dbraw/zinc/72/46/36/963724636.db2.gz FKFDOJSQNBJZGU-LLVKDONJSA-N 1 2 298.818 1.460 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCc1cncnc1 ZINC001439356610 963736261 /nfs/dbraw/zinc/73/62/61/963736261.db2.gz OLDOAPGEXYWBSQ-LBPRGKRZSA-N 1 2 296.802 1.598 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCc1cncnc1 ZINC001439356610 963736267 /nfs/dbraw/zinc/73/62/67/963736267.db2.gz OLDOAPGEXYWBSQ-LBPRGKRZSA-N 1 2 296.802 1.598 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cnn(C)c1 ZINC001440905545 964245198 /nfs/dbraw/zinc/24/51/98/964245198.db2.gz WCICJFOLZCHHIN-SNVBAGLBSA-N 1 2 270.764 1.223 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cnn(C)c1 ZINC001440905545 964245205 /nfs/dbraw/zinc/24/52/05/964245205.db2.gz WCICJFOLZCHHIN-SNVBAGLBSA-N 1 2 270.764 1.223 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CC1CCOCC1 ZINC001440906870 964245270 /nfs/dbraw/zinc/24/52/70/964245270.db2.gz CPFGKTCIGKEOTI-GFCCVEGCSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CC1CCOCC1 ZINC001440906870 964245277 /nfs/dbraw/zinc/24/52/77/964245277.db2.gz CPFGKTCIGKEOTI-GFCCVEGCSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCOC(C)C)C1 ZINC001441086231 964355668 /nfs/dbraw/zinc/35/56/68/964355668.db2.gz MOYXOJZAVAEPGB-LBPRGKRZSA-N 1 2 274.792 1.745 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3C[C@H]3C)n2CC2CC2)CC1 ZINC001346113918 964932521 /nfs/dbraw/zinc/93/25/21/964932521.db2.gz MGYPHGVRDWEWCM-UKRRQHHQSA-N 1 2 299.422 1.567 20 30 CDEDLO C=C[C@@H](COC)[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC001348487978 966019617 /nfs/dbraw/zinc/01/96/17/966019617.db2.gz KBXVPLZQSKGJPI-IUCAKERBSA-N 1 2 270.354 1.781 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1coc(C)n1 ZINC001445712950 966303471 /nfs/dbraw/zinc/30/34/71/966303471.db2.gz SIAKYBDGBNCSGO-VIFPVBQESA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1coc(C)n1 ZINC001445712950 966303481 /nfs/dbraw/zinc/30/34/81/966303481.db2.gz SIAKYBDGBNCSGO-VIFPVBQESA-N 1 2 271.748 1.786 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)CCC[N@H+](C)Cc1nccs1 ZINC001447330076 966758137 /nfs/dbraw/zinc/75/81/37/966758137.db2.gz ZBJHHLNZKNKIBU-NSHDSACASA-N 1 2 280.397 1.583 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)CCC[N@@H+](C)Cc1nccs1 ZINC001447330076 966758140 /nfs/dbraw/zinc/75/81/40/966758140.db2.gz ZBJHHLNZKNKIBU-NSHDSACASA-N 1 2 280.397 1.583 20 30 CDEDLO C=C(C)Cn1nnnc1N1CCc2c([nH+]cn2CC)C1 ZINC001351020593 966830611 /nfs/dbraw/zinc/83/06/11/966830611.db2.gz GVMPQNBIEOSHMG-UHFFFAOYSA-N 1 2 273.344 1.028 20 30 CDEDLO C=C(C)C[N@H+](C)CN1C(=O)CN(C2CCCC2)C1=O ZINC001351120798 966861881 /nfs/dbraw/zinc/86/18/81/966861881.db2.gz GSYABFGTWMKSCL-UHFFFAOYSA-N 1 2 265.357 1.659 20 30 CDEDLO C=C(C)C[N@@H+](C)CN1C(=O)CN(C2CCCC2)C1=O ZINC001351120798 966861887 /nfs/dbraw/zinc/86/18/87/966861887.db2.gz GSYABFGTWMKSCL-UHFFFAOYSA-N 1 2 265.357 1.659 20 30 CDEDLO C[C@@H](CNC(=O)c1cc(C#N)ccn1)Cn1cc[nH+]c1 ZINC001544230368 967348630 /nfs/dbraw/zinc/34/86/30/967348630.db2.gz ZFRRCHVGAAIVOZ-NSHDSACASA-N 1 2 269.308 1.216 20 30 CDEDLO C=CCn1cccc1C(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001100385867 968190761 /nfs/dbraw/zinc/19/07/61/968190761.db2.gz SUNXBLSIGPAIQM-UHFFFAOYSA-N 1 2 299.378 1.639 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCCN(CC)c1cc[nH+]c(C)n1 ZINC001100503133 968530727 /nfs/dbraw/zinc/53/07/27/968530727.db2.gz OXLREBLSILRHAG-OAHLLOKOSA-N 1 2 292.383 1.055 20 30 CDEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)CCc1[nH+]ccn1C ZINC001528471041 968858223 /nfs/dbraw/zinc/85/82/23/968858223.db2.gz RTCWZELIOZGEOC-CYBMUJFWSA-N 1 2 289.379 1.879 20 30 CDEDLO CON=CC(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001358482991 969744240 /nfs/dbraw/zinc/74/42/40/969744240.db2.gz BFVJTBQMXJCYLP-GFCCVEGCSA-N 1 2 281.743 1.445 20 30 CDEDLO Cn1c[nH+]cc1C1CCN(C(=O)CCCC#N)CC1 ZINC001520891662 970237872 /nfs/dbraw/zinc/23/78/72/970237872.db2.gz PLSMQRBFANHUKH-UHFFFAOYSA-N 1 2 260.341 1.820 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc(CC)nn1C ZINC001374547136 974011252 /nfs/dbraw/zinc/01/12/52/974011252.db2.gz SAJGBJZQODYOIJ-UHFFFAOYSA-N 1 2 298.818 1.739 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc(CC)nn1C ZINC001374547136 974011263 /nfs/dbraw/zinc/01/12/63/974011263.db2.gz SAJGBJZQODYOIJ-UHFFFAOYSA-N 1 2 298.818 1.739 20 30 CDEDLO C=C(Cl)CN(C)CCNC(=O)CCn1cc[nH+]c1 ZINC001377196354 974922298 /nfs/dbraw/zinc/92/22/98/974922298.db2.gz FOBYSQRHQOQHLG-UHFFFAOYSA-N 1 2 270.764 1.074 20 30 CDEDLO CCC(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001404861426 975516411 /nfs/dbraw/zinc/51/64/11/975516411.db2.gz FTVUFTSXIIMZSH-UHFFFAOYSA-N 1 2 275.327 1.655 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCn2cncn2)C1 ZINC001389499789 975870850 /nfs/dbraw/zinc/87/08/50/975870850.db2.gz PLKGDZLVVFPDIP-LBPRGKRZSA-N 1 2 297.790 1.001 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCn2cncn2)C1 ZINC001389499789 975870860 /nfs/dbraw/zinc/87/08/60/975870860.db2.gz PLKGDZLVVFPDIP-LBPRGKRZSA-N 1 2 297.790 1.001 20 30 CDEDLO C=C(Cl)CN1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001398223541 975897931 /nfs/dbraw/zinc/89/79/31/975897931.db2.gz DDLHWUCDIKJYEY-CYBMUJFWSA-N 1 2 296.802 1.606 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccnn1C ZINC001399698092 976649727 /nfs/dbraw/zinc/64/97/27/976649727.db2.gz KNUMTFITCQXDCW-UHFFFAOYSA-N 1 2 270.764 1.224 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccnn1C ZINC001399698092 976649735 /nfs/dbraw/zinc/64/97/35/976649735.db2.gz KNUMTFITCQXDCW-UHFFFAOYSA-N 1 2 270.764 1.224 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cncnc1)C1CC1 ZINC001404232816 977374994 /nfs/dbraw/zinc/37/49/94/977374994.db2.gz ZGLAQOSSSWLIQH-UHFFFAOYSA-N 1 2 280.759 1.423 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cncnc1)C1CC1 ZINC001404232816 977374999 /nfs/dbraw/zinc/37/49/99/977374999.db2.gz ZGLAQOSSSWLIQH-UHFFFAOYSA-N 1 2 280.759 1.423 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001132302445 1163229993 /nfs/dbraw/zinc/22/99/93/1163229993.db2.gz SWXAZOZHMWHCLN-UHFFFAOYSA-N 1 2 266.345 1.186 20 30 CDEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001132564241 1163372653 /nfs/dbraw/zinc/37/26/53/1163372653.db2.gz BIEKLBIIEYGXCU-GHMZBOCLSA-N 1 2 279.384 1.955 20 30 CDEDLO C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001598625179 994076530 /nfs/dbraw/zinc/07/65/30/994076530.db2.gz FQBFWOLTBXHAQP-OWCLPIDISA-N 1 2 299.374 1.852 20 30 CDEDLO C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001598625179 994076540 /nfs/dbraw/zinc/07/65/40/994076540.db2.gz FQBFWOLTBXHAQP-OWCLPIDISA-N 1 2 299.374 1.852 20 30 CDEDLO C[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001598625179 994076552 /nfs/dbraw/zinc/07/65/52/994076552.db2.gz FQBFWOLTBXHAQP-OWCLPIDISA-N 1 2 299.374 1.852 20 30 CDEDLO C[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001598625179 994076560 /nfs/dbraw/zinc/07/65/60/994076560.db2.gz FQBFWOLTBXHAQP-OWCLPIDISA-N 1 2 299.374 1.852 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001133145209 1163588630 /nfs/dbraw/zinc/58/86/30/1163588630.db2.gz UCOCABKACQBDOE-UHFFFAOYSA-N 1 2 294.399 1.929 20 30 CDEDLO Cc1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)cc(C#N)n1 ZINC000588005861 342490998 /nfs/dbraw/zinc/49/09/98/342490998.db2.gz SAPYPXSDHWOQHT-ZDUSSCGKSA-N 1 2 279.347 1.769 20 30 CDEDLO Cc1cccc2[nH+]c(CNC(=O)c3cccc(C#N)n3)cn21 ZINC000589407886 342505041 /nfs/dbraw/zinc/50/50/41/342505041.db2.gz MFNRRQOMNKXZCC-UHFFFAOYSA-N 1 2 291.314 1.839 20 30 CDEDLO N#CCCOCC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000590161797 342523679 /nfs/dbraw/zinc/52/36/79/342523679.db2.gz XXBCSFOKEKDUMZ-LBPRGKRZSA-N 1 2 250.298 1.583 20 30 CDEDLO N#CCCOCC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000590161797 342523680 /nfs/dbraw/zinc/52/36/80/342523680.db2.gz XXBCSFOKEKDUMZ-LBPRGKRZSA-N 1 2 250.298 1.583 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000590326430 342535122 /nfs/dbraw/zinc/53/51/22/342535122.db2.gz WBWYYEBOYXRBJZ-UHFFFAOYSA-N 1 2 281.319 1.975 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000590494946 342567794 /nfs/dbraw/zinc/56/77/94/342567794.db2.gz VUXWSXCYYVCTJS-NSHDSACASA-N 1 2 260.341 1.454 20 30 CDEDLO COc1cc(C[NH+]2CCN(CC#N)CC2)ccc1Cl ZINC000590704238 342582534 /nfs/dbraw/zinc/58/25/34/342582534.db2.gz AKFBEJAODLOBDY-UHFFFAOYSA-N 1 2 279.771 1.990 20 30 CDEDLO CC[NH+](CC)Cc1ccc(C(=O)NC2=NC(=O)CN2)cc1 ZINC000050222951 342059734 /nfs/dbraw/zinc/05/97/34/342059734.db2.gz IZNYDZSOPIXWBX-UHFFFAOYSA-N 1 2 288.351 1.319 20 30 CDEDLO N#Cc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1Cl ZINC000122489508 342096645 /nfs/dbraw/zinc/09/66/45/342096645.db2.gz PSPKQRWJMKFWSZ-UHFFFAOYSA-N 1 2 293.754 1.274 20 30 CDEDLO Cc1cc(C)nc(SC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000591241760 342622373 /nfs/dbraw/zinc/62/23/73/342622373.db2.gz IVBAZLZVHBQICT-CYBMUJFWSA-N 1 2 279.409 1.997 20 30 CDEDLO Cc1cc(C)nc(SC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000591241760 342622374 /nfs/dbraw/zinc/62/23/74/342622374.db2.gz IVBAZLZVHBQICT-CYBMUJFWSA-N 1 2 279.409 1.997 20 30 CDEDLO N#Cc1cncnc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000591902975 342654627 /nfs/dbraw/zinc/65/46/27/342654627.db2.gz IDVMWDZGAGRIQA-UHFFFAOYSA-N 1 2 295.346 1.346 20 30 CDEDLO Cc1cc(N2CC[C@H](C(=O)N(C)C)C2)c(C#N)c[nH+]1 ZINC000591825689 342647944 /nfs/dbraw/zinc/64/79/44/342647944.db2.gz ISUDGIVEXHZRDR-NSHDSACASA-N 1 2 258.325 1.176 20 30 CDEDLO COC(=O)c1ccc(F)c(C[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592150641 342668835 /nfs/dbraw/zinc/66/88/35/342668835.db2.gz FNQDJVFCXVFLON-HNNXBMFYSA-N 1 2 292.310 1.463 20 30 CDEDLO COC(=O)c1ccc(F)c(C[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592150641 342668836 /nfs/dbraw/zinc/66/88/36/342668836.db2.gz FNQDJVFCXVFLON-HNNXBMFYSA-N 1 2 292.310 1.463 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000592151457 342669182 /nfs/dbraw/zinc/66/91/82/342669182.db2.gz PEMKKWOABHYVDH-AWEZNQCLSA-N 1 2 293.754 1.629 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000592151457 342669183 /nfs/dbraw/zinc/66/91/83/342669183.db2.gz PEMKKWOABHYVDH-AWEZNQCLSA-N 1 2 293.754 1.629 20 30 CDEDLO CN(C)c1ccc(CNC(=O)N2CCC(C#N)CC2)c[nH+]1 ZINC000060978928 342157313 /nfs/dbraw/zinc/15/73/13/342157313.db2.gz DQHAKUZODONNGJ-UHFFFAOYSA-N 1 2 287.367 1.593 20 30 CDEDLO CC[C@H]1C[N@H+](CC(=O)N(CC)CCC#N)[C@@H](CC)CO1 ZINC000593059399 342760770 /nfs/dbraw/zinc/76/07/70/342760770.db2.gz QHULCJUSGJVVIU-KBPBESRZSA-N 1 2 281.400 1.638 20 30 CDEDLO CC[C@H]1C[N@@H+](CC(=O)N(CC)CCC#N)[C@@H](CC)CO1 ZINC000593059399 342760771 /nfs/dbraw/zinc/76/07/71/342760771.db2.gz QHULCJUSGJVVIU-KBPBESRZSA-N 1 2 281.400 1.638 20 30 CDEDLO Cc1cccc(OCCC(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000593156353 342774465 /nfs/dbraw/zinc/77/44/65/342774465.db2.gz TVRZZDLYEOUVPF-MRXNPFEDSA-N 1 2 289.379 1.724 20 30 CDEDLO CC[C@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)[C@@H](CC)CO1 ZINC000593660755 342819856 /nfs/dbraw/zinc/81/98/56/342819856.db2.gz FDUYRRABGPRVOS-GJZGRUSLSA-N 1 2 299.378 1.990 20 30 CDEDLO CC[C@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)[C@@H](CC)CO1 ZINC000593660755 342819857 /nfs/dbraw/zinc/81/98/57/342819857.db2.gz FDUYRRABGPRVOS-GJZGRUSLSA-N 1 2 299.378 1.990 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000593521458 342806309 /nfs/dbraw/zinc/80/63/09/342806309.db2.gz IBKGSHXFNDSPLU-YNEHKIRRSA-N 1 2 260.341 1.842 20 30 CDEDLO Cc1noc(C[N@H+](C)CCC(=O)Nc2cccc(C#N)c2)n1 ZINC000594053498 342872634 /nfs/dbraw/zinc/87/26/34/342872634.db2.gz QSRBOPVNTHKBAI-UHFFFAOYSA-N 1 2 299.334 1.710 20 30 CDEDLO Cc1noc(C[N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)n1 ZINC000594053498 342872635 /nfs/dbraw/zinc/87/26/35/342872635.db2.gz QSRBOPVNTHKBAI-UHFFFAOYSA-N 1 2 299.334 1.710 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]1(C#N)CCSC1 ZINC000594257656 342885380 /nfs/dbraw/zinc/88/53/80/342885380.db2.gz KOSNJFTXTVXRTF-SKDRFNHKSA-N 1 2 264.354 1.104 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]1(C#N)CCSC1 ZINC000594257656 342885381 /nfs/dbraw/zinc/88/53/81/342885381.db2.gz KOSNJFTXTVXRTF-SKDRFNHKSA-N 1 2 264.354 1.104 20 30 CDEDLO CC1(C)CCC[N@H+](C[C@H]2CCNC(=O)CC2)[C@@H]1C#N ZINC000336274744 539063841 /nfs/dbraw/zinc/06/38/41/539063841.db2.gz IGKXILGAYVWUQS-CHWSQXEVSA-N 1 2 263.385 1.917 20 30 CDEDLO CC1(C)CCC[N@@H+](C[C@H]2CCNC(=O)CC2)[C@@H]1C#N ZINC000336274744 539063842 /nfs/dbraw/zinc/06/38/42/539063842.db2.gz IGKXILGAYVWUQS-CHWSQXEVSA-N 1 2 263.385 1.917 20 30 CDEDLO CC(C)(C#N)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000075939724 342316509 /nfs/dbraw/zinc/31/65/09/342316509.db2.gz LLPBTAVIZLRLDO-UHFFFAOYSA-N 1 2 299.290 1.812 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000595619709 343110936 /nfs/dbraw/zinc/11/09/36/343110936.db2.gz FUYXLIWGYWGXHV-UKRRQHHQSA-N 1 2 282.347 1.710 20 30 CDEDLO N#CC[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000595619709 343110938 /nfs/dbraw/zinc/11/09/38/343110938.db2.gz FUYXLIWGYWGXHV-UKRRQHHQSA-N 1 2 282.347 1.710 20 30 CDEDLO C=CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H](C)COC ZINC000595638278 343123195 /nfs/dbraw/zinc/12/31/95/343123195.db2.gz FHRXQLYPHIHDNX-VIFPVBQESA-N 1 2 269.301 1.914 20 30 CDEDLO C=CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H](C)COC ZINC000595638278 343123197 /nfs/dbraw/zinc/12/31/97/343123197.db2.gz FHRXQLYPHIHDNX-VIFPVBQESA-N 1 2 269.301 1.914 20 30 CDEDLO C=C(Cl)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000078687651 342339692 /nfs/dbraw/zinc/33/96/92/342339692.db2.gz WZESCIZWZNAERX-UHFFFAOYSA-N 1 2 257.765 1.287 20 30 CDEDLO CCc1nc(C#N)cc(-n2c[nH+]c(CCCO)c2)n1 ZINC000596124260 343236563 /nfs/dbraw/zinc/23/65/63/343236563.db2.gz VJZSHTRPHUZACY-UHFFFAOYSA-N 1 2 257.297 1.021 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2C3CCC2CC3)nc1 ZINC000588956780 342391805 /nfs/dbraw/zinc/39/18/05/342391805.db2.gz AVQXLFIVDLSGHS-UHFFFAOYSA-N 1 2 291.376 1.354 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC(C)(C)O1 ZINC000330176042 362169177 /nfs/dbraw/zinc/16/91/77/362169177.db2.gz CALGZXFZVQTVPY-NEPJUHHUSA-N 1 2 292.383 1.611 20 30 CDEDLO C[C@H](Nc1nccc(C#N)c1[N+](=O)[O-])c1[nH+]ccn1C ZINC000596543309 343347190 /nfs/dbraw/zinc/34/71/90/343347190.db2.gz RJPOPNXRIBHXQW-QMMMGPOBSA-N 1 2 272.268 1.190 20 30 CDEDLO CO[C@@H]1C[C@H](NC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1(C)C ZINC000330179883 362170826 /nfs/dbraw/zinc/17/08/26/362170826.db2.gz FPRDOCRSYQVVNA-SDDRHHMPSA-N 1 2 292.383 1.515 20 30 CDEDLO CO[C@@H]1C[C@H]([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)C1(C)C ZINC000330179883 362170829 /nfs/dbraw/zinc/17/08/29/362170829.db2.gz FPRDOCRSYQVVNA-SDDRHHMPSA-N 1 2 292.383 1.515 20 30 CDEDLO C[C@H](CNc1cnccc1C#N)[NH+]1CCN(C)CC1 ZINC000094154131 342430015 /nfs/dbraw/zinc/43/00/15/342430015.db2.gz VXPPYBISNCVDEO-GFCCVEGCSA-N 1 2 259.357 1.001 20 30 CDEDLO COC[C@](C)([NH2+]CCCCC(C)(C)C#N)C(=O)OC ZINC000444688229 362199054 /nfs/dbraw/zinc/19/90/54/362199054.db2.gz YCDHMAMCOLMXQJ-AWEZNQCLSA-N 1 2 270.373 1.874 20 30 CDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccnc1 ZINC000154917979 136395415 /nfs/dbraw/zinc/39/54/15/136395415.db2.gz OCKVRQAGXKINLU-CYBMUJFWSA-N 1 2 294.362 1.454 20 30 CDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccnc1 ZINC000154917979 136395416 /nfs/dbraw/zinc/39/54/16/136395416.db2.gz OCKVRQAGXKINLU-CYBMUJFWSA-N 1 2 294.362 1.454 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(C#N)cs2)[C@H](C)CO1 ZINC000597994104 343683728 /nfs/dbraw/zinc/68/37/28/343683728.db2.gz APLATXOIHNWIPY-GHMZBOCLSA-N 1 2 293.392 1.459 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(C#N)cs2)[C@H](C)CO1 ZINC000597994104 343683730 /nfs/dbraw/zinc/68/37/30/343683730.db2.gz APLATXOIHNWIPY-GHMZBOCLSA-N 1 2 293.392 1.459 20 30 CDEDLO C=C[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)C(=O)OC ZINC000619703367 349859924 /nfs/dbraw/zinc/85/99/24/349859924.db2.gz KJPZRUNMIMZEDN-APIJFGDWSA-N 1 2 257.333 1.890 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000619717168 349867681 /nfs/dbraw/zinc/86/76/81/349867681.db2.gz FCPSEVXGYWXGMG-OLZOCXBDSA-N 1 2 282.384 1.198 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000619717168 349867686 /nfs/dbraw/zinc/86/76/86/349867686.db2.gz FCPSEVXGYWXGMG-OLZOCXBDSA-N 1 2 282.384 1.198 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000619719578 349869790 /nfs/dbraw/zinc/86/97/90/349869790.db2.gz MEWAMNCCOARAFU-CQSZACIVSA-N 1 2 262.353 1.912 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000619719578 349869793 /nfs/dbraw/zinc/86/97/93/349869793.db2.gz MEWAMNCCOARAFU-CQSZACIVSA-N 1 2 262.353 1.912 20 30 CDEDLO Cc1[nH+]c2n(c1C)CCN(C[C@H](O)CC(C)(C)C#N)C2 ZINC000598590537 343837637 /nfs/dbraw/zinc/83/76/37/343837637.db2.gz OAYYJICCUQRPKU-CYBMUJFWSA-N 1 2 276.384 1.616 20 30 CDEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598591917 343838363 /nfs/dbraw/zinc/83/83/63/343838363.db2.gz FQMVLKLKOLMTLN-XBQNPMMNSA-N 1 2 272.414 1.128 20 30 CDEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598591917 343838365 /nfs/dbraw/zinc/83/83/65/343838365.db2.gz FQMVLKLKOLMTLN-XBQNPMMNSA-N 1 2 272.414 1.128 20 30 CDEDLO N#CC1(C[N@@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)CC1 ZINC000599395772 344041779 /nfs/dbraw/zinc/04/17/79/344041779.db2.gz KEKHKBOWEPAHDB-QGZVFWFLSA-N 1 2 286.375 1.944 20 30 CDEDLO N#CC1(C[N@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)CC1 ZINC000599395772 344041781 /nfs/dbraw/zinc/04/17/81/344041781.db2.gz KEKHKBOWEPAHDB-QGZVFWFLSA-N 1 2 286.375 1.944 20 30 CDEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cnns2)CC1 ZINC000599399245 344042640 /nfs/dbraw/zinc/04/26/40/344042640.db2.gz MGDDSJIKXAYIAK-UHFFFAOYSA-N 1 2 285.376 1.990 20 30 CDEDLO CCCCNC(=O)CN1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602756026 344581699 /nfs/dbraw/zinc/58/16/99/344581699.db2.gz JFKGJGAQFKEQHU-UHFFFAOYSA-N 1 2 292.427 1.214 20 30 CDEDLO Cc1ccsc1CNC(=O)C[NH2+][C@H](C)CC#N ZINC000602861272 344616576 /nfs/dbraw/zinc/61/65/76/344616576.db2.gz GNYLTBBXZWSOEI-SNVBAGLBSA-N 1 2 251.355 1.565 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000602860915 344616628 /nfs/dbraw/zinc/61/66/28/344616628.db2.gz DWNNHEUQVOKLNM-MDZLAQPJSA-N 1 2 250.346 1.321 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCCOc1ccc(Cl)cc1 ZINC000602863219 344619349 /nfs/dbraw/zinc/61/93/49/344619349.db2.gz LZOLZNISWKWUBJ-LLVKDONJSA-N 1 2 295.770 1.727 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000602870433 344641112 /nfs/dbraw/zinc/64/11/12/344641112.db2.gz TVLFVEYDBJPPCB-SECBINFHSA-N 1 2 261.281 1.246 20 30 CDEDLO N#CCCOCCN1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000603006823 344689313 /nfs/dbraw/zinc/68/93/13/344689313.db2.gz NBMFDFCJUVTJLD-UHFFFAOYSA-N 1 2 289.379 1.440 20 30 CDEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000612167724 347066258 /nfs/dbraw/zinc/06/62/58/347066258.db2.gz VPZSMTFPJAEOSJ-OAHLLOKOSA-N 1 2 257.337 1.911 20 30 CDEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000612167724 347066259 /nfs/dbraw/zinc/06/62/59/347066259.db2.gz VPZSMTFPJAEOSJ-OAHLLOKOSA-N 1 2 257.337 1.911 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447848279 362530574 /nfs/dbraw/zinc/53/05/74/362530574.db2.gz LFIWTZCLXAUVAA-NEPJUHHUSA-N 1 2 254.374 1.424 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447848279 362530577 /nfs/dbraw/zinc/53/05/77/362530577.db2.gz LFIWTZCLXAUVAA-NEPJUHHUSA-N 1 2 254.374 1.424 20 30 CDEDLO Cn1nnc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)n1 ZINC000618803284 345340623 /nfs/dbraw/zinc/34/06/23/345340623.db2.gz SGUOBZPBGQFJIG-ZDUSSCGKSA-N 1 2 268.324 1.249 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000340651412 345495716 /nfs/dbraw/zinc/49/57/16/345495716.db2.gz RLTBCZGNQYKXRO-QWHCGFSZSA-N 1 2 292.383 1.249 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000051405755 345752127 /nfs/dbraw/zinc/75/21/27/345752127.db2.gz IJOJJQLJXSDESK-UHFFFAOYSA-N 1 2 264.275 1.356 20 30 CDEDLO C=CC[C@H]1CCCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)C1 ZINC000617786367 345973488 /nfs/dbraw/zinc/97/34/88/345973488.db2.gz YAZVZFYKEQCDFX-AWEZNQCLSA-N 1 2 295.427 1.258 20 30 CDEDLO C=CC[C@H]1CCCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)C1 ZINC000617786367 345973492 /nfs/dbraw/zinc/97/34/92/345973492.db2.gz YAZVZFYKEQCDFX-AWEZNQCLSA-N 1 2 295.427 1.258 20 30 CDEDLO CC[N@@H+]1CCN(C(=O)c2cc(C#N)cs2)C[C@@H]1C ZINC000611087516 346602508 /nfs/dbraw/zinc/60/25/08/346602508.db2.gz OIKOJBZDPVFZJE-JTQLQIEISA-N 1 2 263.366 1.786 20 30 CDEDLO CC[N@H+]1CCN(C(=O)c2cc(C#N)cs2)C[C@@H]1C ZINC000611087516 346602512 /nfs/dbraw/zinc/60/25/12/346602512.db2.gz OIKOJBZDPVFZJE-JTQLQIEISA-N 1 2 263.366 1.786 20 30 CDEDLO C[C@H]([NH2+]Cc1nccc(N)n1)c1cccc(C#N)c1 ZINC000611387951 346776053 /nfs/dbraw/zinc/77/60/53/346776053.db2.gz ASKNWFGZFCLNIE-JTQLQIEISA-N 1 2 253.309 1.612 20 30 CDEDLO N#Cc1ccncc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611281058 346734756 /nfs/dbraw/zinc/73/47/56/346734756.db2.gz CTOSBOZHAYDGBI-CYBMUJFWSA-N 1 2 253.309 1.991 20 30 CDEDLO COCCn1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cn1 ZINC000612407185 347150168 /nfs/dbraw/zinc/15/01/68/347150168.db2.gz ZXNMOQCSZBEUGG-AWEZNQCLSA-N 1 2 262.357 1.655 20 30 CDEDLO COCCn1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)cn1 ZINC000612407185 347150170 /nfs/dbraw/zinc/15/01/70/347150170.db2.gz ZXNMOQCSZBEUGG-AWEZNQCLSA-N 1 2 262.357 1.655 20 30 CDEDLO Cc1cc(C#N)ccc1C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000614403174 348101398 /nfs/dbraw/zinc/10/13/98/348101398.db2.gz IIXBPKKYSRZFPK-KRWDZBQOSA-N 1 2 285.391 1.773 20 30 CDEDLO C=C[C@H](C(=O)OC)N1CC[NH+](Cc2ccco2)CC1 ZINC000619715924 348175256 /nfs/dbraw/zinc/17/52/56/348175256.db2.gz APEWNTTUEXEWKG-CYBMUJFWSA-N 1 2 264.325 1.125 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H](CO)O1 ZINC000230417879 140211987 /nfs/dbraw/zinc/21/19/87/140211987.db2.gz ZJCIQRFFOAWLLF-MFKMUULPSA-N 1 2 264.300 1.279 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H](CO)O1 ZINC000230417879 140211988 /nfs/dbraw/zinc/21/19/88/140211988.db2.gz ZJCIQRFFOAWLLF-MFKMUULPSA-N 1 2 264.300 1.279 20 30 CDEDLO Cc1nc(N2CCN(c3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000273435004 192148165 /nfs/dbraw/zinc/14/81/65/192148165.db2.gz ABVOHNNKENWDOH-UHFFFAOYSA-N 1 2 279.347 1.983 20 30 CDEDLO Cc1cc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)no1 ZINC000026331464 348659639 /nfs/dbraw/zinc/65/96/39/348659639.db2.gz GLKDIMKTJYUKJN-UHFFFAOYSA-N 1 2 284.319 1.925 20 30 CDEDLO Cc1cc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)no1 ZINC000026331464 348659643 /nfs/dbraw/zinc/65/96/43/348659643.db2.gz GLKDIMKTJYUKJN-UHFFFAOYSA-N 1 2 284.319 1.925 20 30 CDEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cccc(C#N)n1)C[C@@H](C)O2 ZINC000602644529 350135886 /nfs/dbraw/zinc/13/58/86/350135886.db2.gz SUOUIOKPDJRMCQ-DVOMOZLQSA-N 1 2 287.363 1.722 20 30 CDEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cccc(C#N)n1)C[C@@H](C)O2 ZINC000602644529 350135887 /nfs/dbraw/zinc/13/58/87/350135887.db2.gz SUOUIOKPDJRMCQ-DVOMOZLQSA-N 1 2 287.363 1.722 20 30 CDEDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1Cc1cccc(C#N)c1 ZINC000602849504 350154832 /nfs/dbraw/zinc/15/48/32/350154832.db2.gz ROLKOGZWIQYGEW-FRRDWIJNSA-N 1 2 271.364 1.998 20 30 CDEDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1Cc1cccc(C#N)c1 ZINC000602849504 350154833 /nfs/dbraw/zinc/15/48/33/350154833.db2.gz ROLKOGZWIQYGEW-FRRDWIJNSA-N 1 2 271.364 1.998 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccnc(C#N)c2)C1 ZINC000603136182 350216084 /nfs/dbraw/zinc/21/60/84/350216084.db2.gz TZKGGYQSVSNFBT-LLVKDONJSA-N 1 2 296.334 1.708 20 30 CDEDLO C[C@H]1C[C@H](NC(=O)Nc2ccnc(C#N)c2)c2[nH+]ccn21 ZINC000603120521 350206733 /nfs/dbraw/zinc/20/67/33/350206733.db2.gz AXFWUFVMOUXPDF-CABZTGNLSA-N 1 2 282.307 1.977 20 30 CDEDLO CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292074499 198154073 /nfs/dbraw/zinc/15/40/73/198154073.db2.gz DADKYLXJQKSRJG-CHWSQXEVSA-N 1 2 289.335 1.358 20 30 CDEDLO CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292074499 198154075 /nfs/dbraw/zinc/15/40/75/198154075.db2.gz DADKYLXJQKSRJG-CHWSQXEVSA-N 1 2 289.335 1.358 20 30 CDEDLO C=C(C)CNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000156301063 188253897 /nfs/dbraw/zinc/25/38/97/188253897.db2.gz VEXXNQJFRFHNFF-UHFFFAOYSA-N 1 2 274.368 1.485 20 30 CDEDLO Cn1cc[nH+]c1CNc1nccc(C#N)c1[N+](=O)[O-] ZINC000167517569 363275630 /nfs/dbraw/zinc/27/56/30/363275630.db2.gz UFDVCNHKVNSSNL-UHFFFAOYSA-N 1 2 258.241 1.207 20 30 CDEDLO C=C(Cl)C[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000071910898 356080300 /nfs/dbraw/zinc/08/03/00/356080300.db2.gz UQYUQJKMWNIEQG-UHFFFAOYSA-N 1 2 279.771 1.660 20 30 CDEDLO N#Cc1ccc(CN2CCn3cc[nH+]c3C2)cc1F ZINC000336569752 356211925 /nfs/dbraw/zinc/21/19/25/356211925.db2.gz NWRKFIFIOBERET-UHFFFAOYSA-N 1 2 256.284 1.910 20 30 CDEDLO N#Cc1c(F)cccc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000336600719 356215668 /nfs/dbraw/zinc/21/56/68/356215668.db2.gz PPMBEWQAIDYDPI-UHFFFAOYSA-N 1 2 270.267 1.550 20 30 CDEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000459450058 283212560 /nfs/dbraw/zinc/21/25/60/283212560.db2.gz YAJHPOXHSZBDBD-OCCSQVGLSA-N 1 2 291.307 1.096 20 30 CDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CC2CCC2)CC1 ZINC000329601799 538590332 /nfs/dbraw/zinc/59/03/32/538590332.db2.gz FIXAMLGHRRGOSK-LBPRGKRZSA-N 1 2 293.411 1.828 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\COCC(F)(F)F ZINC000493438367 366370053 /nfs/dbraw/zinc/37/00/53/366370053.db2.gz ZVOFGTSYJPISFP-WYGGZMRJSA-N 1 2 293.289 1.082 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@@H+](CCO)C1CC1 ZINC000048347481 356795366 /nfs/dbraw/zinc/79/53/66/356795366.db2.gz BETQSROWIYKGHN-UHFFFAOYSA-N 1 2 265.338 1.015 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@H+](CCO)C1CC1 ZINC000048347481 356795372 /nfs/dbraw/zinc/79/53/72/356795372.db2.gz BETQSROWIYKGHN-UHFFFAOYSA-N 1 2 265.338 1.015 20 30 CDEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCSCC2)C1=O ZINC000177011706 283227332 /nfs/dbraw/zinc/22/73/32/283227332.db2.gz WQYKWNPHVDFTMX-LLVKDONJSA-N 1 2 293.417 1.774 20 30 CDEDLO C#CC[NH+]1CCN(c2cc(C)nc(-c3cccnc3)n2)CC1 ZINC000299263453 357008118 /nfs/dbraw/zinc/00/81/18/357008118.db2.gz ITZZCTJBQBNOSN-UHFFFAOYSA-N 1 2 293.374 1.602 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cn1ncc(C(=O)OCC)c1C(F)F ZINC000491740380 357458057 /nfs/dbraw/zinc/45/80/57/357458057.db2.gz DTKQBYIGKXSVDY-SECBINFHSA-N 1 2 285.294 1.908 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cn1ncc(C(=O)OCC)c1C(F)F ZINC000491740380 357458064 /nfs/dbraw/zinc/45/80/64/357458064.db2.gz DTKQBYIGKXSVDY-SECBINFHSA-N 1 2 285.294 1.908 20 30 CDEDLO Cn1cc(C[N@@H+]2CCO[C@]3(CCSC3)C2)cc1C#N ZINC000335421546 357914493 /nfs/dbraw/zinc/91/44/93/357914493.db2.gz DIUCEORKOKHEGD-CQSZACIVSA-N 1 2 277.393 1.605 20 30 CDEDLO Cn1cc(C[N@H+]2CCO[C@]3(CCSC3)C2)cc1C#N ZINC000335421546 357914498 /nfs/dbraw/zinc/91/44/98/357914498.db2.gz DIUCEORKOKHEGD-CQSZACIVSA-N 1 2 277.393 1.605 20 30 CDEDLO N#C[C@H]1CCC[C@@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000336030600 358052210 /nfs/dbraw/zinc/05/22/10/358052210.db2.gz LARJRGIPMNZCBP-MNOVXSKESA-N 1 2 259.313 1.101 20 30 CDEDLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191534485 358137532 /nfs/dbraw/zinc/13/75/32/358137532.db2.gz DBCGSFGTEBKBNP-CQSZACIVSA-N 1 2 261.325 1.424 20 30 CDEDLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191534485 358137535 /nfs/dbraw/zinc/13/75/35/358137535.db2.gz DBCGSFGTEBKBNP-CQSZACIVSA-N 1 2 261.325 1.424 20 30 CDEDLO COc1cc(C[N@H+](C)CC(=O)NC(C)C)ccc1C#N ZINC000234794250 358451279 /nfs/dbraw/zinc/45/12/79/358451279.db2.gz FQZWDNCOHCUURM-UHFFFAOYSA-N 1 2 275.352 1.523 20 30 CDEDLO COc1cc(C[N@@H+](C)CC(=O)NC(C)C)ccc1C#N ZINC000234794250 358451281 /nfs/dbraw/zinc/45/12/81/358451281.db2.gz FQZWDNCOHCUURM-UHFFFAOYSA-N 1 2 275.352 1.523 20 30 CDEDLO Cc1cc2[nH+]cn(C[C@@H](O)CN3CC(C#N)C3)c2cc1C ZINC000590777058 358517258 /nfs/dbraw/zinc/51/72/58/358517258.db2.gz DXMUHUUGRABZAR-AWEZNQCLSA-N 1 2 284.363 1.469 20 30 CDEDLO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(C#N)s2)[C@H](C)C1 ZINC000356911930 358577132 /nfs/dbraw/zinc/57/71/32/358577132.db2.gz ODMRCHITVNDKSE-GHMZBOCLSA-N 1 2 293.392 1.147 20 30 CDEDLO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(C#N)s2)[C@H](C)C1 ZINC000356911930 358577133 /nfs/dbraw/zinc/57/71/33/358577133.db2.gz ODMRCHITVNDKSE-GHMZBOCLSA-N 1 2 293.392 1.147 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000494868717 366514033 /nfs/dbraw/zinc/51/40/33/366514033.db2.gz AHHAHICHBBRKNB-UONOGXRCSA-N 1 2 281.400 1.457 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000494868717 366514038 /nfs/dbraw/zinc/51/40/38/366514038.db2.gz AHHAHICHBBRKNB-UONOGXRCSA-N 1 2 281.400 1.457 20 30 CDEDLO C=CCOCC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000345965060 358961931 /nfs/dbraw/zinc/96/19/31/358961931.db2.gz QUEPENQMNBEDDX-STQMWFEESA-N 1 2 263.341 1.495 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000338173380 359094849 /nfs/dbraw/zinc/09/48/49/359094849.db2.gz GAOAHIPGAALSOR-HNNXBMFYSA-N 1 2 299.374 1.460 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000338173380 359094853 /nfs/dbraw/zinc/09/48/53/359094853.db2.gz GAOAHIPGAALSOR-HNNXBMFYSA-N 1 2 299.374 1.460 20 30 CDEDLO N#Cc1cc([N+](=O)[O-])cnc1NCCCn1cc[nH+]c1 ZINC000048935310 359181989 /nfs/dbraw/zinc/18/19/89/359181989.db2.gz TVPZVUNHZPRWJF-UHFFFAOYSA-N 1 2 272.268 1.560 20 30 CDEDLO C=CCCS(=O)(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000268539566 359362608 /nfs/dbraw/zinc/36/26/08/359362608.db2.gz KNSYFSQJUYCPJA-NSHDSACASA-N 1 2 272.370 1.378 20 30 CDEDLO N#Cc1ccc(C[NH+]2CC(NC(=O)C3CC3)C2)cc1 ZINC000297300611 200140154 /nfs/dbraw/zinc/14/01/54/200140154.db2.gz BMQQHRHNYVNARQ-UHFFFAOYSA-N 1 2 255.321 1.269 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CC(=O)N(CC)CC ZINC000298065957 200326673 /nfs/dbraw/zinc/32/66/73/200326673.db2.gz LBZPSHDODSGDCU-AWEZNQCLSA-N 1 2 295.427 1.376 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CC(=O)N(CC)CC ZINC000298065957 200326674 /nfs/dbraw/zinc/32/66/74/200326674.db2.gz LBZPSHDODSGDCU-AWEZNQCLSA-N 1 2 295.427 1.376 20 30 CDEDLO C=CCN(C(=O)[C@@H]1COCC[N@H+]1CC)C(C)(C)C ZINC000637408836 359970980 /nfs/dbraw/zinc/97/09/80/359970980.db2.gz XCRPABFXEVVXMZ-LBPRGKRZSA-N 1 2 254.374 1.520 20 30 CDEDLO C=CCN(C(=O)[C@@H]1COCC[N@@H+]1CC)C(C)(C)C ZINC000637408836 359970983 /nfs/dbraw/zinc/97/09/83/359970983.db2.gz XCRPABFXEVVXMZ-LBPRGKRZSA-N 1 2 254.374 1.520 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCc3ncsc3C2)C1=O ZINC000337183372 360028404 /nfs/dbraw/zinc/02/84/04/360028404.db2.gz BTGAZOYDQWYZFB-NSHDSACASA-N 1 2 263.366 1.288 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCc3ncsc3C2)C1=O ZINC000337183372 360028405 /nfs/dbraw/zinc/02/84/05/360028405.db2.gz BTGAZOYDQWYZFB-NSHDSACASA-N 1 2 263.366 1.288 20 30 CDEDLO C[C@@H](CNC(=O)Cc1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000176401109 360269842 /nfs/dbraw/zinc/26/98/42/360269842.db2.gz PCBMVAOCMJFVPG-ZDUSSCGKSA-N 1 2 282.347 1.750 20 30 CDEDLO N#CC1(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000515198484 360451945 /nfs/dbraw/zinc/45/19/45/360451945.db2.gz CYAGOEMIYRTAIB-LLVKDONJSA-N 1 2 273.340 1.602 20 30 CDEDLO C=C(C)CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000355942130 360502314 /nfs/dbraw/zinc/50/23/14/360502314.db2.gz UFAUJAYJHFPLPE-ZDUSSCGKSA-N 1 2 292.383 1.175 20 30 CDEDLO C=C(C)CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000355942130 360502318 /nfs/dbraw/zinc/50/23/18/360502318.db2.gz UFAUJAYJHFPLPE-ZDUSSCGKSA-N 1 2 292.383 1.175 20 30 CDEDLO C#CC[NH+]1CCN(Cn2ncc(Cl)c2C)CC1 ZINC000156491756 360591307 /nfs/dbraw/zinc/59/13/07/360591307.db2.gz ZIWQQBZABOZPHA-UHFFFAOYSA-N 1 2 252.749 1.053 20 30 CDEDLO CN(CCC#N)C(=O)CC[N@H+](CCC#N)Cc1ccccn1 ZINC000131769660 361143716 /nfs/dbraw/zinc/14/37/16/361143716.db2.gz YNFXHEIITYUBEC-UHFFFAOYSA-N 1 2 299.378 1.559 20 30 CDEDLO CN(CCC#N)C(=O)CC[N@@H+](CCC#N)Cc1ccccn1 ZINC000131769660 361143722 /nfs/dbraw/zinc/14/37/22/361143722.db2.gz YNFXHEIITYUBEC-UHFFFAOYSA-N 1 2 299.378 1.559 20 30 CDEDLO Cn1cc(N2CCC[C@@H]([N@H+](C)CC(C)(C)C#N)C2=O)cn1 ZINC000433295193 361228984 /nfs/dbraw/zinc/22/89/84/361228984.db2.gz CLNXTCKXRCKICV-CYBMUJFWSA-N 1 2 289.383 1.397 20 30 CDEDLO Cn1cc(N2CCC[C@@H]([N@@H+](C)CC(C)(C)C#N)C2=O)cn1 ZINC000433295193 361228989 /nfs/dbraw/zinc/22/89/89/361228989.db2.gz CLNXTCKXRCKICV-CYBMUJFWSA-N 1 2 289.383 1.397 20 30 CDEDLO CC[C@H](C)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C#N)C(=O)OC ZINC000433302963 361230278 /nfs/dbraw/zinc/23/02/78/361230278.db2.gz KDDCKJSGYQEXIP-AAEUAGOBSA-N 1 2 297.399 1.172 20 30 CDEDLO CC[C@H](C)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C#N)C(=O)OC ZINC000433302963 361230282 /nfs/dbraw/zinc/23/02/82/361230282.db2.gz KDDCKJSGYQEXIP-AAEUAGOBSA-N 1 2 297.399 1.172 20 30 CDEDLO N#Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c[nH]1 ZINC000181187055 189290632 /nfs/dbraw/zinc/29/06/32/189290632.db2.gz KKMJLXBABDERQF-UHFFFAOYSA-N 1 2 295.346 1.812 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](O)C1 ZINC000176981819 291276927 /nfs/dbraw/zinc/27/69/27/291276927.db2.gz IFTMDMFVMGQENX-UONOGXRCSA-N 1 2 274.320 1.229 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](O)C1 ZINC000176981819 291276930 /nfs/dbraw/zinc/27/69/30/291276930.db2.gz IFTMDMFVMGQENX-UONOGXRCSA-N 1 2 274.320 1.229 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000520633742 361554243 /nfs/dbraw/zinc/55/42/43/361554243.db2.gz DLMXNHGKMANQAA-UHFFFAOYSA-N 1 2 284.323 1.284 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)s1 ZINC000187530717 189469090 /nfs/dbraw/zinc/46/90/90/189469090.db2.gz WFKCQHGEUVCXDO-ZDUSSCGKSA-N 1 2 264.350 1.611 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)s1 ZINC000187530717 189469091 /nfs/dbraw/zinc/46/90/91/189469091.db2.gz WFKCQHGEUVCXDO-ZDUSSCGKSA-N 1 2 264.350 1.611 20 30 CDEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccnn1CCC ZINC000639609340 364246582 /nfs/dbraw/zinc/24/65/82/364246582.db2.gz SJDRMFRGSLEYJN-UHFFFAOYSA-N 1 2 280.372 1.366 20 30 CDEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccnn1CCC ZINC000639609340 364246586 /nfs/dbraw/zinc/24/65/86/364246586.db2.gz SJDRMFRGSLEYJN-UHFFFAOYSA-N 1 2 280.372 1.366 20 30 CDEDLO CNC(=O)C[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000269583711 364253846 /nfs/dbraw/zinc/25/38/46/364253846.db2.gz QQXRNXNTETUNCQ-UHFFFAOYSA-N 1 2 250.729 1.369 20 30 CDEDLO CNC(=O)C[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000269583711 364253850 /nfs/dbraw/zinc/25/38/50/364253850.db2.gz QQXRNXNTETUNCQ-UHFFFAOYSA-N 1 2 250.729 1.369 20 30 CDEDLO C=CCCCS(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000644176334 364341232 /nfs/dbraw/zinc/34/12/32/364341232.db2.gz ZAQVDMWLYOVNNU-ZDUSSCGKSA-N 1 2 283.397 1.816 20 30 CDEDLO CCN(CC)C(=O)C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000042316493 364556577 /nfs/dbraw/zinc/55/65/77/364556577.db2.gz PKSXQCKGRQSIPB-UHFFFAOYSA-N 1 2 277.343 1.998 20 30 CDEDLO CCN(CC)C(=O)C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000042316493 364556585 /nfs/dbraw/zinc/55/65/85/364556585.db2.gz PKSXQCKGRQSIPB-UHFFFAOYSA-N 1 2 277.343 1.998 20 30 CDEDLO C[N@H+](CC(=O)N1CCCC1)Cc1ccc(C#N)cc1F ZINC000042316502 364557361 /nfs/dbraw/zinc/55/73/61/364557361.db2.gz BWXSQTMHBHBZRG-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO C[N@@H+](CC(=O)N1CCCC1)Cc1ccc(C#N)cc1F ZINC000042316502 364557364 /nfs/dbraw/zinc/55/73/64/364557364.db2.gz BWXSQTMHBHBZRG-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ncc(C(C)(C)C)o2)nn1 ZINC000640955174 364776506 /nfs/dbraw/zinc/77/65/06/364776506.db2.gz HKKAFDDLWYWNKT-UHFFFAOYSA-N 1 2 287.367 1.725 20 30 CDEDLO CC[C@H](C#N)NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000171005783 365184968 /nfs/dbraw/zinc/18/49/68/365184968.db2.gz SJQMNJQHGJADMV-LLVKDONJSA-N 1 2 256.309 1.763 20 30 CDEDLO C#CCCCS(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000375310097 370806440 /nfs/dbraw/zinc/80/64/40/370806440.db2.gz QEXCQAFEUGILQN-UHFFFAOYSA-N 1 2 281.381 1.263 20 30 CDEDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000573132652 365251278 /nfs/dbraw/zinc/25/12/78/365251278.db2.gz GIDLLLYOPNJUJV-UHFFFAOYSA-N 1 2 298.390 1.786 20 30 CDEDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000573132652 365251287 /nfs/dbraw/zinc/25/12/87/365251287.db2.gz GIDLLLYOPNJUJV-UHFFFAOYSA-N 1 2 298.390 1.786 20 30 CDEDLO C=CCC(C)(C)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000354268482 365419359 /nfs/dbraw/zinc/41/93/59/365419359.db2.gz WZHINHGORFYMGZ-UONOGXRCSA-N 1 2 280.412 1.910 20 30 CDEDLO CN(C(=O)c1cc(C#N)c[nH]1)C(C)(C)C[NH+]1CCOCC1 ZINC000414050231 241043950 /nfs/dbraw/zinc/04/39/50/241043950.db2.gz JRWVZBRKAHSHTG-UHFFFAOYSA-N 1 2 290.367 1.069 20 30 CDEDLO COc1cc(C#N)ccc1CN(C)Cc1[nH+]ccn1C ZINC000271000761 366953674 /nfs/dbraw/zinc/95/36/74/366953674.db2.gz KHACCDDULCITFJ-UHFFFAOYSA-N 1 2 270.336 1.932 20 30 CDEDLO COC(=O)[C@@H]1CN(C)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000414485739 241224220 /nfs/dbraw/zinc/22/42/20/241224220.db2.gz IHZBIIGOBUTADO-LLVKDONJSA-N 1 2 293.392 1.156 20 30 CDEDLO COC(=O)[C@@H]1CN(C)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000414485739 241224224 /nfs/dbraw/zinc/22/42/24/241224224.db2.gz IHZBIIGOBUTADO-LLVKDONJSA-N 1 2 293.392 1.156 20 30 CDEDLO N#C[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccccc1F ZINC000505913201 367001879 /nfs/dbraw/zinc/00/18/79/367001879.db2.gz RJYMWFDQUDKIDL-CYBMUJFWSA-N 1 2 272.283 1.793 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3cccnn3)CC2)c(F)c1 ZINC000170649675 367525083 /nfs/dbraw/zinc/52/50/83/367525083.db2.gz HHNJCDIUXMKNDY-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@H](COCC)C1 ZINC000528715168 367951317 /nfs/dbraw/zinc/95/13/17/367951317.db2.gz BMAYKHGOHIKQJU-CABCVRRESA-N 1 2 298.427 1.537 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](COCC)C1 ZINC000528715168 367951320 /nfs/dbraw/zinc/95/13/20/367951320.db2.gz BMAYKHGOHIKQJU-CABCVRRESA-N 1 2 298.427 1.537 20 30 CDEDLO N#CCCCc1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000361261437 368716684 /nfs/dbraw/zinc/71/66/84/368716684.db2.gz JLJOVTJWIBZOIF-NWDGAFQWSA-N 1 2 276.340 1.842 20 30 CDEDLO N#CCCCc1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000361261437 368716687 /nfs/dbraw/zinc/71/66/87/368716687.db2.gz JLJOVTJWIBZOIF-NWDGAFQWSA-N 1 2 276.340 1.842 20 30 CDEDLO CC[C@@H](CC#N)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000545156842 369149614 /nfs/dbraw/zinc/14/96/14/369149614.db2.gz JQQWAMYVIKZXBM-JTQLQIEISA-N 1 2 270.296 1.084 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CC(=O)NC(C)C ZINC000073643741 369188508 /nfs/dbraw/zinc/18/85/08/369188508.db2.gz WRMBWBCRNZOIIN-ZDUSSCGKSA-N 1 2 281.400 1.032 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CC(=O)NC(C)C ZINC000073643741 369188511 /nfs/dbraw/zinc/18/85/11/369188511.db2.gz WRMBWBCRNZOIIN-ZDUSSCGKSA-N 1 2 281.400 1.032 20 30 CDEDLO C#CCN(CC#CC)C(=O)NCCCCn1cc[nH+]c1 ZINC000490675455 261181703 /nfs/dbraw/zinc/18/17/03/261181703.db2.gz FJHLVZSCDRMORE-UHFFFAOYSA-N 1 2 272.352 1.331 20 30 CDEDLO N#C[C@H]1CC[C@H]([NH2+]Cc2n[nH]cc2Br)C1 ZINC000389666481 370015529 /nfs/dbraw/zinc/01/55/29/370015529.db2.gz ORLSMETXUCDOBC-YUMQZZPRSA-N 1 2 269.146 1.954 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNc1ncccc1C#N ZINC000170869475 369982078 /nfs/dbraw/zinc/98/20/78/369982078.db2.gz NXMNUBJUJAZABE-UHFFFAOYSA-N 1 2 260.341 1.476 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNc1ncccc1C#N ZINC000170869475 369982086 /nfs/dbraw/zinc/98/20/86/369982086.db2.gz NXMNUBJUJAZABE-UHFFFAOYSA-N 1 2 260.341 1.476 20 30 CDEDLO C=CCCCC[N@H+]1CC[S@@](=O)C[C@H]1c1cnn(C)c1 ZINC000556235241 370241389 /nfs/dbraw/zinc/24/13/89/370241389.db2.gz ZNNUAWYHPMJSCF-IFXJQAMLSA-N 1 2 281.425 1.882 20 30 CDEDLO C=CCCCC[N@@H+]1CC[S@@](=O)C[C@H]1c1cnn(C)c1 ZINC000556235241 370241397 /nfs/dbraw/zinc/24/13/97/370241397.db2.gz ZNNUAWYHPMJSCF-IFXJQAMLSA-N 1 2 281.425 1.882 20 30 CDEDLO Cc1nc(N2CCN(c3cc(C#N)ccn3)CC2)cc[nH+]1 ZINC000266168095 370435512 /nfs/dbraw/zinc/43/55/12/370435512.db2.gz PYUBNQJJIOOXKJ-UHFFFAOYSA-N 1 2 280.335 1.378 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2c2ncccn2)C1=O ZINC000639873788 370395984 /nfs/dbraw/zinc/39/59/84/370395984.db2.gz VJGYYAMINHCRED-OLZOCXBDSA-N 1 2 272.352 1.400 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2c2ncccn2)C1=O ZINC000639873788 370395989 /nfs/dbraw/zinc/39/59/89/370395989.db2.gz VJGYYAMINHCRED-OLZOCXBDSA-N 1 2 272.352 1.400 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1sccc1Cl ZINC000567995868 371192999 /nfs/dbraw/zinc/19/29/99/371192999.db2.gz XPPGRUCRFZSNFU-NSHDSACASA-N 1 2 271.773 1.975 20 30 CDEDLO Cc1ccc(F)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000568704243 371228671 /nfs/dbraw/zinc/22/86/71/371228671.db2.gz ZSEGNLZDRACFJA-CQSZACIVSA-N 1 2 263.316 1.708 20 30 CDEDLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000331823348 204205591 /nfs/dbraw/zinc/20/55/91/204205591.db2.gz WETAVUUXIRYBSR-IINYFYTJSA-N 1 2 299.334 1.270 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cccc2nsnc21 ZINC000573575230 371587419 /nfs/dbraw/zinc/58/74/19/371587419.db2.gz BFNIQGQWEUSAHZ-SECBINFHSA-N 1 2 289.364 1.912 20 30 CDEDLO Cn1[nH]c(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)nc1=O ZINC000347563959 372077928 /nfs/dbraw/zinc/07/79/28/372077928.db2.gz GPOBKJPEXMSMSI-UHFFFAOYSA-N 1 2 295.346 1.269 20 30 CDEDLO Cn1[nH]c(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)nc1=O ZINC000347563959 372077938 /nfs/dbraw/zinc/07/79/38/372077938.db2.gz GPOBKJPEXMSMSI-UHFFFAOYSA-N 1 2 295.346 1.269 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2ccc(C)c(OC)c2)CC1 ZINC000172755398 372412235 /nfs/dbraw/zinc/41/22/35/372412235.db2.gz JFKBPSAOVSLPLD-UHFFFAOYSA-N 1 2 286.375 1.785 20 30 CDEDLO CC#CCN(C)C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000579142069 372553538 /nfs/dbraw/zinc/55/35/38/372553538.db2.gz YGMXDDIVAKIGNN-JTQLQIEISA-N 1 2 287.285 1.938 20 30 CDEDLO C[C@@H](C#N)CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000182802197 372624905 /nfs/dbraw/zinc/62/49/05/372624905.db2.gz RUAQBJNEKLYDGW-LBPRGKRZSA-N 1 2 273.340 1.073 20 30 CDEDLO N#C[C@H]1[N@H+](CCC2(O)CC2)CCC[C@@]12CCCCO2 ZINC000580814021 372700911 /nfs/dbraw/zinc/70/09/11/372700911.db2.gz ZZGNNQQZNLOCSG-HIFRSBDPSA-N 1 2 264.369 1.829 20 30 CDEDLO N#C[C@H]1[N@@H+](CCC2(O)CC2)CCC[C@@]12CCCCO2 ZINC000580814021 372700916 /nfs/dbraw/zinc/70/09/16/372700916.db2.gz ZZGNNQQZNLOCSG-HIFRSBDPSA-N 1 2 264.369 1.829 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)c1cc(C#N)c[nH]1 ZINC000348270644 373098698 /nfs/dbraw/zinc/09/86/98/373098698.db2.gz GRLBUJWHPGCTJE-UHFFFAOYSA-N 1 2 256.265 1.220 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000189453924 373283829 /nfs/dbraw/zinc/28/38/29/373283829.db2.gz IDNMYHUJVLLGKB-QLFBSQMISA-N 1 2 296.411 1.311 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000189453924 373283839 /nfs/dbraw/zinc/28/38/39/373283839.db2.gz IDNMYHUJVLLGKB-QLFBSQMISA-N 1 2 296.411 1.311 20 30 CDEDLO Cn1nccc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000122952441 373702860 /nfs/dbraw/zinc/70/28/60/373702860.db2.gz ACRHZEBRAMOGQX-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO Cc1onc(CC(=O)NC[C@H](C)Cn2cc[nH+]c2)c1C#N ZINC000354743090 373809415 /nfs/dbraw/zinc/80/94/15/373809415.db2.gz VTXDAANBASYXMH-JTQLQIEISA-N 1 2 287.323 1.046 20 30 CDEDLO Cc1cc(CNc2ccc(CO)c[nH+]2)ccc1C#N ZINC000356337007 373841345 /nfs/dbraw/zinc/84/13/45/373841345.db2.gz LKVRHRCPQXCDCS-UHFFFAOYSA-N 1 2 253.305 1.788 20 30 CDEDLO CCOC(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000067459992 374415391 /nfs/dbraw/zinc/41/53/91/374415391.db2.gz OBMQAVGQSYXPIK-UHFFFAOYSA-N 1 2 288.351 1.028 20 30 CDEDLO CCOC(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000067459992 374415395 /nfs/dbraw/zinc/41/53/95/374415395.db2.gz OBMQAVGQSYXPIK-UHFFFAOYSA-N 1 2 288.351 1.028 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000425530122 374440966 /nfs/dbraw/zinc/44/09/66/374440966.db2.gz DSAYBIYFCKIJEZ-SNVBAGLBSA-N 1 2 271.324 1.173 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000425530122 374440969 /nfs/dbraw/zinc/44/09/69/374440969.db2.gz DSAYBIYFCKIJEZ-SNVBAGLBSA-N 1 2 271.324 1.173 20 30 CDEDLO N#Cc1cccc(F)c1CC(=O)NCc1[nH]cc[nH+]1 ZINC000352949617 374479956 /nfs/dbraw/zinc/47/99/56/374479956.db2.gz XTXUVJBSJYHNGG-UHFFFAOYSA-N 1 2 258.256 1.279 20 30 CDEDLO Cc1ccc(C#N)c(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)n1 ZINC000375657146 374507901 /nfs/dbraw/zinc/50/79/01/374507901.db2.gz LAYMOCZKXBJKPT-CQSZACIVSA-N 1 2 297.362 1.935 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[S@@](=O)CC[C@H]1C ZINC000375942957 374524224 /nfs/dbraw/zinc/52/42/24/374524224.db2.gz RXWNVZMIJZKTQH-ODXCJYRJSA-N 1 2 292.404 1.910 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CC[S@@](=O)CC[C@H]1C ZINC000375942957 374524228 /nfs/dbraw/zinc/52/42/28/374524228.db2.gz RXWNVZMIJZKTQH-ODXCJYRJSA-N 1 2 292.404 1.910 20 30 CDEDLO N#Cc1cccc([C@@H]2C[N@H+](CCn3cccn3)CCO2)c1 ZINC000378311203 374639778 /nfs/dbraw/zinc/63/97/78/374639778.db2.gz LPDLLVYDHBSSMY-INIZCTEOSA-N 1 2 282.347 1.828 20 30 CDEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCn3cccn3)CCO2)c1 ZINC000378311203 374639780 /nfs/dbraw/zinc/63/97/80/374639780.db2.gz LPDLLVYDHBSSMY-INIZCTEOSA-N 1 2 282.347 1.828 20 30 CDEDLO C[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)CC[S@](=O)C1 ZINC000277548908 374794219 /nfs/dbraw/zinc/79/42/19/374794219.db2.gz SPZFCZXZKDMHIX-RBZFPXEDSA-N 1 2 292.404 1.637 20 30 CDEDLO C[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CC[S@](=O)C1 ZINC000277548908 374794224 /nfs/dbraw/zinc/79/42/24/374794224.db2.gz SPZFCZXZKDMHIX-RBZFPXEDSA-N 1 2 292.404 1.637 20 30 CDEDLO C[C@@H](C(=O)N(C)Cc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000330453695 374855322 /nfs/dbraw/zinc/85/53/22/374855322.db2.gz BUNOFLJKSXLARZ-ZDUSSCGKSA-N 1 2 287.363 1.237 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)CCc1c[nH+]cn1C ZINC000279680654 374948694 /nfs/dbraw/zinc/94/86/94/374948694.db2.gz IYWCMSXUBLTWMH-UHFFFAOYSA-N 1 2 284.319 1.872 20 30 CDEDLO COC(=O)[C@H](C)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000280790492 375022467 /nfs/dbraw/zinc/02/24/67/375022467.db2.gz RBPWDWYCLTWRQO-NSHDSACASA-N 1 2 262.309 1.430 20 30 CDEDLO COC(=O)[C@H](C)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000280790492 375022476 /nfs/dbraw/zinc/02/24/76/375022476.db2.gz RBPWDWYCLTWRQO-NSHDSACASA-N 1 2 262.309 1.430 20 30 CDEDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000058181257 375684389 /nfs/dbraw/zinc/68/43/89/375684389.db2.gz FQOJPLGCZAJVNO-UHFFFAOYSA-N 1 2 290.348 1.112 20 30 CDEDLO CCOC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000496178463 375721073 /nfs/dbraw/zinc/72/10/73/375721073.db2.gz ZTHUUAFVMDBBNK-CYBMUJFWSA-N 1 2 288.351 1.977 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H]([C@H](C)O)C2)c(C#N)c1C ZINC000228167152 375706959 /nfs/dbraw/zinc/70/69/59/375706959.db2.gz YKPIDRAGAUMALE-JQWIXIFHSA-N 1 2 291.351 1.409 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H]([C@H](C)O)C2)c(C#N)c1C ZINC000228167152 375706963 /nfs/dbraw/zinc/70/69/63/375706963.db2.gz YKPIDRAGAUMALE-JQWIXIFHSA-N 1 2 291.351 1.409 20 30 CDEDLO CO[C@@H]1C[N@H+](Cc2cccc(F)c2C#N)C[C@@H]1OC ZINC000428959510 247387504 /nfs/dbraw/zinc/38/75/04/247387504.db2.gz GOLQDJQWAHZOCE-OKILXGFUSA-N 1 2 264.300 1.543 20 30 CDEDLO CO[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)C[C@@H]1OC ZINC000428959510 247387506 /nfs/dbraw/zinc/38/75/06/247387506.db2.gz GOLQDJQWAHZOCE-OKILXGFUSA-N 1 2 264.300 1.543 20 30 CDEDLO C[C@H](C(=O)N[C@@H](C)C(=O)N1CCCC1)[NH+]1CCSCC1 ZINC000328772918 375953384 /nfs/dbraw/zinc/95/33/84/375953384.db2.gz HHHDRQXSOZJBTC-NWDGAFQWSA-N 1 2 299.440 1.391 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCCC(=O)N1 ZINC000328772665 375953399 /nfs/dbraw/zinc/95/33/99/375953399.db2.gz DJAQRYHYOYKOBH-GHMZBOCLSA-N 1 2 269.345 1.173 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCCC(=O)N1 ZINC000328772665 375953405 /nfs/dbraw/zinc/95/34/05/375953405.db2.gz DJAQRYHYOYKOBH-GHMZBOCLSA-N 1 2 269.345 1.173 20 30 CDEDLO Cc1[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C2)c[nH+]1 ZINC000328793966 375971247 /nfs/dbraw/zinc/97/12/47/375971247.db2.gz SFAZOJXVPBMGTB-LLVKDONJSA-N 1 2 299.334 1.332 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000330466971 376139837 /nfs/dbraw/zinc/13/98/37/376139837.db2.gz XPMNBPRRXQZSFY-UPJWGTAASA-N 1 2 267.373 1.294 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000330466971 376139841 /nfs/dbraw/zinc/13/98/41/376139841.db2.gz XPMNBPRRXQZSFY-UPJWGTAASA-N 1 2 267.373 1.294 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)CCO1 ZINC000245727483 376153990 /nfs/dbraw/zinc/15/39/90/376153990.db2.gz JCJVHKGASHBVJM-CZUORRHYSA-N 1 2 290.363 1.825 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)CCO1 ZINC000245727483 376153995 /nfs/dbraw/zinc/15/39/95/376153995.db2.gz JCJVHKGASHBVJM-CZUORRHYSA-N 1 2 290.363 1.825 20 30 CDEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C[C@H](CC)O1 ZINC000420958135 376508826 /nfs/dbraw/zinc/50/88/26/376508826.db2.gz OXWQFOOTPADNIB-MELADBBJSA-N 1 2 293.411 1.827 20 30 CDEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C[C@H](CC)O1 ZINC000420958135 376508834 /nfs/dbraw/zinc/50/88/34/376508834.db2.gz OXWQFOOTPADNIB-MELADBBJSA-N 1 2 293.411 1.827 20 30 CDEDLO N#Cc1ccnc(NC(=O)c2ccc3[nH+]ccn3c2)c1 ZINC000436007973 248216142 /nfs/dbraw/zinc/21/61/42/248216142.db2.gz OYSZJOXDRTVCGE-UHFFFAOYSA-N 1 2 263.260 1.853 20 30 CDEDLO CC(C)CNC(=O)NC(=O)C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331323624 376850796 /nfs/dbraw/zinc/85/07/96/376850796.db2.gz NBSQIPSPUNBMJR-LBPRGKRZSA-N 1 2 299.415 1.420 20 30 CDEDLO CC(C)CNC(=O)NC(=O)C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331323624 376850804 /nfs/dbraw/zinc/85/08/04/376850804.db2.gz NBSQIPSPUNBMJR-LBPRGKRZSA-N 1 2 299.415 1.420 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](COC)C1 ZINC000246523903 376936855 /nfs/dbraw/zinc/93/68/55/376936855.db2.gz BXRQUKLLLLKCEX-ZIAGYGMSSA-N 1 2 284.400 1.147 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](COC)C1 ZINC000246523903 376936861 /nfs/dbraw/zinc/93/68/61/376936861.db2.gz BXRQUKLLLLKCEX-ZIAGYGMSSA-N 1 2 284.400 1.147 20 30 CDEDLO C[N@H+](CC#Cc1cccc(Cl)c1)CC(=O)NC1CC1 ZINC000129388246 377391641 /nfs/dbraw/zinc/39/16/41/377391641.db2.gz HUUAMVBYCVRSHD-UHFFFAOYSA-N 1 2 276.767 1.902 20 30 CDEDLO C[N@@H+](CC#Cc1cccc(Cl)c1)CC(=O)NC1CC1 ZINC000129388246 377391651 /nfs/dbraw/zinc/39/16/51/377391651.db2.gz HUUAMVBYCVRSHD-UHFFFAOYSA-N 1 2 276.767 1.902 20 30 CDEDLO CC[C@](C)([NH2+]CCOc1cccc(C#N)c1)C(=O)OC ZINC000265423245 190180524 /nfs/dbraw/zinc/18/05/24/190180524.db2.gz JWXOOVVAUGYFQV-HNNXBMFYSA-N 1 2 276.336 1.868 20 30 CDEDLO C#CCSCCNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000265817245 190209503 /nfs/dbraw/zinc/20/95/03/190209503.db2.gz MFFYCKWUGKRZNX-LBPRGKRZSA-N 1 2 292.408 1.665 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2CCNC(=O)C2(C)C)c1 ZINC000131732119 377684089 /nfs/dbraw/zinc/68/40/89/377684089.db2.gz KMCWEFZWVYFAMJ-UHFFFAOYSA-N 1 2 274.364 1.962 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2CCNC(=O)C2(C)C)c1 ZINC000131732119 377684098 /nfs/dbraw/zinc/68/40/98/377684098.db2.gz KMCWEFZWVYFAMJ-UHFFFAOYSA-N 1 2 274.364 1.962 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000280553351 377966331 /nfs/dbraw/zinc/96/63/31/377966331.db2.gz JKJASOASZSGVAX-UONOGXRCSA-N 1 2 292.383 1.554 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(Cc1ccccc1)C1CC1 ZINC000192225367 378178486 /nfs/dbraw/zinc/17/84/86/378178486.db2.gz SJONLBIUVFLIKV-UHFFFAOYSA-N 1 2 256.349 1.743 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N(Cc1ccccc1)C1CC1 ZINC000192225367 378178493 /nfs/dbraw/zinc/17/84/93/378178493.db2.gz SJONLBIUVFLIKV-UHFFFAOYSA-N 1 2 256.349 1.743 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCCCO[C@H](C)c1ccccc1 ZINC000192222751 378178759 /nfs/dbraw/zinc/17/87/59/378178759.db2.gz KDQIKZQWJXJXQU-OAHLLOKOSA-N 1 2 288.391 1.836 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCCCO[C@H](C)c1ccccc1 ZINC000192222751 378178764 /nfs/dbraw/zinc/17/87/64/378178764.db2.gz KDQIKZQWJXJXQU-OAHLLOKOSA-N 1 2 288.391 1.836 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCC2(C1)OCCO2 ZINC000136153998 378312877 /nfs/dbraw/zinc/31/28/77/378312877.db2.gz IBNPMSSATZXETD-UHFFFAOYSA-N 1 2 280.368 1.026 20 30 CDEDLO C=CCNC(=O)c1ccc(N[C@@H](C)Cn2cc[nH+]c2)nc1 ZINC000290591938 378411667 /nfs/dbraw/zinc/41/16/67/378411667.db2.gz XPAFRBRVQFZMRM-LBPRGKRZSA-N 1 2 285.351 1.695 20 30 CDEDLO Cc1[nH+]c(-c2ccncc2)nc(NCC#CCO)c1C ZINC000291157989 378431022 /nfs/dbraw/zinc/43/10/22/378431022.db2.gz PQGNVLYDDKETSZ-UHFFFAOYSA-N 1 2 268.320 1.563 20 30 CDEDLO N#Cc1ccc(Nc2cnn(CC[NH+]3CCOCC3)c2)nc1 ZINC000069654450 378480097 /nfs/dbraw/zinc/48/00/97/378480097.db2.gz HVCLPSYUXDUGGG-UHFFFAOYSA-N 1 2 298.350 1.226 20 30 CDEDLO C#CCN(C)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000292440757 378500208 /nfs/dbraw/zinc/50/02/08/378500208.db2.gz NVTZLYUMJGZETD-UHFFFAOYSA-N 1 2 286.379 1.847 20 30 CDEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000293271930 378552201 /nfs/dbraw/zinc/55/22/01/378552201.db2.gz UXMMKCVHMXZPRC-GFCCVEGCSA-N 1 2 262.357 1.746 20 30 CDEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000293271930 378552207 /nfs/dbraw/zinc/55/22/07/378552207.db2.gz UXMMKCVHMXZPRC-GFCCVEGCSA-N 1 2 262.357 1.746 20 30 CDEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000293322631 378559306 /nfs/dbraw/zinc/55/93/06/378559306.db2.gz XPQSAOMRXDGIFN-LLVKDONJSA-N 1 2 275.308 1.877 20 30 CDEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000293322631 378559311 /nfs/dbraw/zinc/55/93/11/378559311.db2.gz XPQSAOMRXDGIFN-LLVKDONJSA-N 1 2 275.308 1.877 20 30 CDEDLO C=CCCCS(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000293080416 378534117 /nfs/dbraw/zinc/53/41/17/378534117.db2.gz SHYDGXQULNOMFD-NSHDSACASA-N 1 2 257.359 1.157 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccnc2N)n1 ZINC000295849556 378710273 /nfs/dbraw/zinc/71/02/73/378710273.db2.gz BAQAJWMIXZCMIS-UHFFFAOYSA-N 1 2 269.352 1.516 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccnc2N)n1 ZINC000295849556 378710278 /nfs/dbraw/zinc/71/02/78/378710278.db2.gz BAQAJWMIXZCMIS-UHFFFAOYSA-N 1 2 269.352 1.516 20 30 CDEDLO N#Cc1ccc(Cl)cc1NCCC[N@@H+]1CCNC(=O)C1 ZINC000278703404 194112768 /nfs/dbraw/zinc/11/27/68/194112768.db2.gz IOFHQNRUBPDJIS-UHFFFAOYSA-N 1 2 292.770 1.445 20 30 CDEDLO N#Cc1ccc(Cl)cc1NCCC[N@H+]1CCNC(=O)C1 ZINC000278703404 194112770 /nfs/dbraw/zinc/11/27/70/194112770.db2.gz IOFHQNRUBPDJIS-UHFFFAOYSA-N 1 2 292.770 1.445 20 30 CDEDLO N#Cc1ccc(/C=C/C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000490982483 253057585 /nfs/dbraw/zinc/05/75/85/253057585.db2.gz MSMYATWWBVASEY-VOTSOKGWSA-N 1 2 280.331 1.974 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)/C=C\c2cccc(C#N)c2)CCO1 ZINC000492891180 253318858 /nfs/dbraw/zinc/31/88/58/253318858.db2.gz FPHMJWQCSUGCGY-GXMNPTEKSA-N 1 2 299.374 1.408 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)/C=C\c2cccc(C#N)c2)CCO1 ZINC000492891180 253318860 /nfs/dbraw/zinc/31/88/60/253318860.db2.gz FPHMJWQCSUGCGY-GXMNPTEKSA-N 1 2 299.374 1.408 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NC2CCCC2)C1=O ZINC000281337175 195201264 /nfs/dbraw/zinc/20/12/64/195201264.db2.gz MEIJUMWJKOOZEA-OCCSQVGLSA-N 1 2 293.411 1.152 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)NC2CCCC2)C1=O ZINC000281337175 195201265 /nfs/dbraw/zinc/20/12/65/195201265.db2.gz MEIJUMWJKOOZEA-OCCSQVGLSA-N 1 2 293.411 1.152 20 30 CDEDLO C[NH+]1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 ZINC000281464465 195250886 /nfs/dbraw/zinc/25/08/86/195250886.db2.gz GAFXIEJGYOZXOE-UHFFFAOYSA-N 1 2 295.346 1.132 20 30 CDEDLO Cc1cc(N2CC[C@H](C)[S@](=O)CC2)c(C#N)c[nH+]1 ZINC000333459169 291940444 /nfs/dbraw/zinc/94/04/44/291940444.db2.gz LGCCNHREGOXJLK-BBATYDOGSA-N 1 2 263.366 1.609 20 30 CDEDLO CCN1CCN(c2ccc(C#N)cn2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530480824 390162782 /nfs/dbraw/zinc/16/27/82/390162782.db2.gz VWTRBNAIGVAZLF-CYBMUJFWSA-N 1 2 282.351 1.560 20 30 CDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccc([N+](=O)[O-])cc1 ZINC000112335708 390686364 /nfs/dbraw/zinc/68/63/64/390686364.db2.gz UQIYXTFAAFKDOC-UHFFFAOYSA-N 1 2 294.311 1.298 20 30 CDEDLO COC[C@](C)(C#N)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000137159910 390941891 /nfs/dbraw/zinc/94/18/91/390941891.db2.gz NLAFEGFPNKGSML-HNNXBMFYSA-N 1 2 284.319 1.531 20 30 CDEDLO COC(=O)[C@H](CNc1cc(C)[nH+]cc1C#N)CC(C)C ZINC000425241024 390897919 /nfs/dbraw/zinc/89/79/19/390897919.db2.gz ZSERKPOETJNHAF-LBPRGKRZSA-N 1 2 275.352 1.931 20 30 CDEDLO CC[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000247741745 390915734 /nfs/dbraw/zinc/91/57/34/390915734.db2.gz XCDKGKGHAAGVPX-DOMZBBRYSA-N 1 2 287.363 1.996 20 30 CDEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000247741745 390915735 /nfs/dbraw/zinc/91/57/35/390915735.db2.gz XCDKGKGHAAGVPX-DOMZBBRYSA-N 1 2 287.363 1.996 20 30 CDEDLO C#CCCCCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000155104094 390917222 /nfs/dbraw/zinc/91/72/22/390917222.db2.gz XIZPKORRUHYPCW-OAHLLOKOSA-N 1 2 293.411 1.296 20 30 CDEDLO CC(C)c1nc(N(C)C)nc(NCC(C)(C)CC#N)[nH+]1 ZINC000413410160 391025917 /nfs/dbraw/zinc/02/59/17/391025917.db2.gz PEFQTXCOUAQJIP-UHFFFAOYSA-N 1 2 276.388 1.835 20 30 CDEDLO CC(C)c1nc(NCC(C)(C)CC#N)nc(N(C)C)[nH+]1 ZINC000413410160 391025921 /nfs/dbraw/zinc/02/59/21/391025921.db2.gz PEFQTXCOUAQJIP-UHFFFAOYSA-N 1 2 276.388 1.835 20 30 CDEDLO C[C@@H]1CN(CC#CC[N@@H+]2C[C@H](C)OC[C@@H]2C)[C@@H](C)CO1 ZINC000351621669 391084448 /nfs/dbraw/zinc/08/44/48/391084448.db2.gz UNELLWSDUVBDFN-YHUYYLMFSA-N 1 2 280.412 1.208 20 30 CDEDLO C[C@@H]1CN(CC#CC[N@H+]2C[C@H](C)OC[C@@H]2C)[C@@H](C)CO1 ZINC000351621669 391084451 /nfs/dbraw/zinc/08/44/51/391084451.db2.gz UNELLWSDUVBDFN-YHUYYLMFSA-N 1 2 280.412 1.208 20 30 CDEDLO C[C@@H]1C[N@@H+](CC#CCN2C[C@H](C)OC[C@@H]2C)[C@@H](C)CO1 ZINC000351621669 391084454 /nfs/dbraw/zinc/08/44/54/391084454.db2.gz UNELLWSDUVBDFN-YHUYYLMFSA-N 1 2 280.412 1.208 20 30 CDEDLO C[C@@H]1C[N@H+](CC#CCN2C[C@H](C)OC[C@@H]2C)[C@@H](C)CO1 ZINC000351621669 391084458 /nfs/dbraw/zinc/08/44/58/391084458.db2.gz UNELLWSDUVBDFN-YHUYYLMFSA-N 1 2 280.412 1.208 20 30 CDEDLO CCO[NH+]=C(N)COc1cccc(C(=O)OC)c1 ZINC000177624590 391173079 /nfs/dbraw/zinc/17/30/79/391173079.db2.gz HFPZVQAKKNTBTM-UHFFFAOYSA-N 1 2 252.270 1.161 20 30 CDEDLO C=C(C)Cn1c(C)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000338805196 391225723 /nfs/dbraw/zinc/22/57/23/391225723.db2.gz JWBUGOXVNJHXDX-CQSZACIVSA-N 1 2 291.399 1.074 20 30 CDEDLO C#CC[NH+]1CCN(c2ccnc(C(C)(C)C)n2)CC1 ZINC000301562562 391278979 /nfs/dbraw/zinc/27/89/79/391278979.db2.gz YHBYBZMZIHHGRQ-UHFFFAOYSA-N 1 2 258.369 1.529 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000339461060 391304715 /nfs/dbraw/zinc/30/47/15/391304715.db2.gz ACECMUPQXKYCKK-OLZOCXBDSA-N 1 2 277.368 1.717 20 30 CDEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)[C@@H](C)C#N ZINC000416469365 391310896 /nfs/dbraw/zinc/31/08/96/391310896.db2.gz JJDYXOVOBOSETD-LBPRGKRZSA-N 1 2 298.412 1.399 20 30 CDEDLO C=CCN(CC=C)C(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000339702861 391323202 /nfs/dbraw/zinc/32/32/02/391323202.db2.gz XBPQGIFZQYWSIO-UHFFFAOYSA-N 1 2 298.346 1.151 20 30 CDEDLO C[C@@H]1OCC[C@@H]1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000328913926 391392902 /nfs/dbraw/zinc/39/29/02/391392902.db2.gz INARVQDZEVEOEM-SRVKXCTJSA-N 1 2 278.356 1.301 20 30 CDEDLO O=C(NCC[NH+]1CCOCC1)Nc1scnc1C1CC1 ZINC000328923273 391394047 /nfs/dbraw/zinc/39/40/47/391394047.db2.gz UWQOLOSZCBIDPT-UHFFFAOYSA-N 1 2 296.396 1.679 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(F)C1 ZINC000347397250 391394104 /nfs/dbraw/zinc/39/41/04/391394104.db2.gz YZRXOOPMISGCCK-XBFCOCLRSA-N 1 2 269.364 1.863 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@](C)(F)C1 ZINC000347397250 391394108 /nfs/dbraw/zinc/39/41/08/391394108.db2.gz YZRXOOPMISGCCK-XBFCOCLRSA-N 1 2 269.364 1.863 20 30 CDEDLO COC(=O)C(C)(C)[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC000411226170 391412499 /nfs/dbraw/zinc/41/24/99/391412499.db2.gz HXJMVVIODBYADT-UHFFFAOYSA-N 1 2 289.335 1.428 20 30 CDEDLO Cc1coc(C)c1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330485222 391430288 /nfs/dbraw/zinc/43/02/88/391430288.db2.gz ZZCSCMFRISKXRI-LLVKDONJSA-N 1 2 266.341 1.922 20 30 CDEDLO Cc1coc(C)c1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330485222 391430291 /nfs/dbraw/zinc/43/02/91/391430291.db2.gz ZZCSCMFRISKXRI-LLVKDONJSA-N 1 2 266.341 1.922 20 30 CDEDLO Cc1cc(=NC(=O)c2ccc3[nH+]ccn3c2)[nH]n1CCC#N ZINC000348828592 391461262 /nfs/dbraw/zinc/46/12/62/391461262.db2.gz QUJXUSWKMIWUOO-UHFFFAOYSA-N 1 2 294.318 1.427 20 30 CDEDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000104669738 391503361 /nfs/dbraw/zinc/50/33/61/391503361.db2.gz RDSCQVRIBBDSMV-MRXNPFEDSA-N 1 2 296.374 1.911 20 30 CDEDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000104669738 391503367 /nfs/dbraw/zinc/50/33/67/391503367.db2.gz RDSCQVRIBBDSMV-MRXNPFEDSA-N 1 2 296.374 1.911 20 30 CDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)/C=C/c3cccc(C#N)c3)C[C@@H]21 ZINC000152184336 391525354 /nfs/dbraw/zinc/52/53/54/391525354.db2.gz FBZUNHSOUFLWHH-DZEZYYDTSA-N 1 2 297.358 1.113 20 30 CDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)/C=C/c3cccc(C#N)c3)C[C@@H]21 ZINC000152184336 391525360 /nfs/dbraw/zinc/52/53/60/391525360.db2.gz FBZUNHSOUFLWHH-DZEZYYDTSA-N 1 2 297.358 1.113 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000412031789 391552516 /nfs/dbraw/zinc/55/25/16/391552516.db2.gz QVGRSSYMEWQFMU-CYBMUJFWSA-N 1 2 291.399 1.327 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000412031789 391552523 /nfs/dbraw/zinc/55/25/23/391552523.db2.gz QVGRSSYMEWQFMU-CYBMUJFWSA-N 1 2 291.399 1.327 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](c2n[nH]c(C)n2)C1 ZINC000412031789 391552546 /nfs/dbraw/zinc/55/25/46/391552546.db2.gz QVGRSSYMEWQFMU-CYBMUJFWSA-N 1 2 291.399 1.327 20 30 CDEDLO C=CCC1(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CCC1 ZINC000359621695 391604812 /nfs/dbraw/zinc/60/48/12/391604812.db2.gz WSPSMIDVKFBXLR-ZDUSSCGKSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CCC1(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CCC1 ZINC000359621695 391604816 /nfs/dbraw/zinc/60/48/16/391604816.db2.gz WSPSMIDVKFBXLR-ZDUSSCGKSA-N 1 2 266.385 1.570 20 30 CDEDLO Cn1c[nH+]cc1CN(c1cccc(C#N)c1)S(C)(=O)=O ZINC000439551561 391744780 /nfs/dbraw/zinc/74/47/80/391744780.db2.gz OYIKFQZGXZWCDE-UHFFFAOYSA-N 1 2 290.348 1.258 20 30 CDEDLO Cc1[nH]c(C(=O)NCc2c3c(nn2C)CCCC3)c[nH+]1 ZINC000329754880 391772129 /nfs/dbraw/zinc/77/21/29/391772129.db2.gz XQDUYNSMKRSGER-UHFFFAOYSA-N 1 2 273.340 1.835 20 30 CDEDLO C[C@@H]1C(=O)CC[C@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)C1(C)C ZINC000329935805 391802727 /nfs/dbraw/zinc/80/27/27/391802727.db2.gz RFHHIPIRWVRPFO-FRRDWIJNSA-N 1 2 296.411 1.915 20 30 CDEDLO C[C@@H]1C(=O)CC[C@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1(C)C ZINC000329935805 391802729 /nfs/dbraw/zinc/80/27/29/391802729.db2.gz RFHHIPIRWVRPFO-FRRDWIJNSA-N 1 2 296.411 1.915 20 30 CDEDLO C[C@@H](CNC(=O)c1cccc(F)c1C#N)Cn1cc[nH+]c1 ZINC000189787925 391798563 /nfs/dbraw/zinc/79/85/63/391798563.db2.gz CIAIXPCWBRTUTD-NSHDSACASA-N 1 2 286.310 1.960 20 30 CDEDLO O=C(NCC1([NH+]2CCOCC2)CC1)[C@@H]1CCCCO1 ZINC000329927967 391800539 /nfs/dbraw/zinc/80/05/39/391800539.db2.gz XKOVBUAWQVUENY-LBPRGKRZSA-N 1 2 268.357 1.377 20 30 CDEDLO Cc1cc(C#N)cc(N2CC[NH+](Cc3cnn(C)c3)CC2)n1 ZINC000342218544 130391414 /nfs/dbraw/zinc/39/14/14/130391414.db2.gz GWJMOVYCQGULNE-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO C=CCN1CC(=O)N(Cc2ccc(-n3cc[nH+]c3)nc2)C1=O ZINC000372939431 391868954 /nfs/dbraw/zinc/86/89/54/391868954.db2.gz GHHFQGANQSYFRP-UHFFFAOYSA-N 1 2 297.318 1.218 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000334185250 392027610 /nfs/dbraw/zinc/02/76/10/392027610.db2.gz GGDVQOLYMNECPS-ZWNOBZJWSA-N 1 2 277.755 1.973 20 30 CDEDLO C=C(C)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000649444385 392222330 /nfs/dbraw/zinc/22/23/30/392222330.db2.gz RKNFHNXMARLMPX-UHFFFAOYSA-N 1 2 280.393 1.656 20 30 CDEDLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000442893291 392504800 /nfs/dbraw/zinc/50/48/00/392504800.db2.gz XQAOWBCHUBANLT-UHFFFAOYSA-N 1 2 276.336 1.950 20 30 CDEDLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000442893291 392504806 /nfs/dbraw/zinc/50/48/06/392504806.db2.gz XQAOWBCHUBANLT-UHFFFAOYSA-N 1 2 276.336 1.950 20 30 CDEDLO C=C[C@@H](O)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000646601156 392588557 /nfs/dbraw/zinc/58/85/57/392588557.db2.gz XXFNYHBJCWITOY-CYBMUJFWSA-N 1 2 259.309 1.008 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNc1ncc(C#N)cc1F ZINC000413126062 392826835 /nfs/dbraw/zinc/82/68/35/392826835.db2.gz SGSPCJYTLTYANE-JTQLQIEISA-N 1 2 264.304 1.225 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNc1ncc(C#N)cc1F ZINC000413126062 392826840 /nfs/dbraw/zinc/82/68/40/392826840.db2.gz SGSPCJYTLTYANE-JTQLQIEISA-N 1 2 264.304 1.225 20 30 CDEDLO C[C@@H](O)CNc1cc(NCCc2cccc(C#N)c2)[nH+]cn1 ZINC000413268381 392832274 /nfs/dbraw/zinc/83/22/74/392832274.db2.gz MKZPTPUXQBABQQ-GFCCVEGCSA-N 1 2 297.362 1.217 20 30 CDEDLO C[C@@H](O)CNc1cc(NCCc2cccc(C#N)c2)nc[nH+]1 ZINC000413268381 392832279 /nfs/dbraw/zinc/83/22/79/392832279.db2.gz MKZPTPUXQBABQQ-GFCCVEGCSA-N 1 2 297.362 1.217 20 30 CDEDLO Cc1cc(N2CC[NH+](Cc3cccnc3)CC2)c(C#N)cn1 ZINC000425208194 392994486 /nfs/dbraw/zinc/99/44/86/392994486.db2.gz MLJSANZNBHOGOC-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO Cc1cc(N(C)C[C@@H](O)C(F)(F)F)c(C#N)c[nH+]1 ZINC000425247800 393003846 /nfs/dbraw/zinc/00/38/46/393003846.db2.gz PCIVFPQAQMOQOV-SNVBAGLBSA-N 1 2 259.231 1.621 20 30 CDEDLO Cc1nc(N2CC[C@](O)(CC#N)C2)c2c([nH+]1)CCCC2 ZINC000591976101 398128792 /nfs/dbraw/zinc/12/87/92/398128792.db2.gz SFURRYXFVIVJPW-OAHLLOKOSA-N 1 2 272.352 1.519 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1cc(C#N)cs1 ZINC000093771816 147066677 /nfs/dbraw/zinc/06/66/77/147066677.db2.gz FHLOWLXISHJUBM-LBPRGKRZSA-N 1 2 263.366 1.720 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000093771816 147066681 /nfs/dbraw/zinc/06/66/81/147066681.db2.gz FHLOWLXISHJUBM-LBPRGKRZSA-N 1 2 263.366 1.720 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCn2cnnc2[C@H]1C ZINC000362072220 286270775 /nfs/dbraw/zinc/27/07/75/286270775.db2.gz LLKUEXBSUFTOBC-LLVKDONJSA-N 1 2 283.335 1.735 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCn2cnnc2[C@H]1C ZINC000362072220 286270776 /nfs/dbraw/zinc/27/07/76/286270776.db2.gz LLKUEXBSUFTOBC-LLVKDONJSA-N 1 2 283.335 1.735 20 30 CDEDLO Cn1ncc(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)c1C#N ZINC000355632675 157155540 /nfs/dbraw/zinc/15/55/40/157155540.db2.gz HEOFJGVJDBOZDY-UHFFFAOYSA-N 1 2 292.302 1.934 20 30 CDEDLO CNc1ccc(C#N)cc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000355640681 157161375 /nfs/dbraw/zinc/16/13/75/157161375.db2.gz DJCZQTXPXCJRFL-UHFFFAOYSA-N 1 2 269.308 1.894 20 30 CDEDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000355793764 157240081 /nfs/dbraw/zinc/24/00/81/157240081.db2.gz MAEHPOKGWZDCAO-UHFFFAOYSA-N 1 2 285.307 1.832 20 30 CDEDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000355793764 157240085 /nfs/dbraw/zinc/24/00/85/157240085.db2.gz MAEHPOKGWZDCAO-UHFFFAOYSA-N 1 2 285.307 1.832 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2C[C@H](C)[C@@H](CO)C2)c(C#N)c1C ZINC000362069723 159057518 /nfs/dbraw/zinc/05/75/18/159057518.db2.gz VIAJRWBNHKOMTB-JOYOIKCWSA-N 1 2 291.351 1.267 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@H](C)[C@@H](CO)C2)c(C#N)c1C ZINC000362069723 159057519 /nfs/dbraw/zinc/05/75/19/159057519.db2.gz VIAJRWBNHKOMTB-JOYOIKCWSA-N 1 2 291.351 1.267 20 30 CDEDLO Cc1cccc2[nH+]cc(CNc3n[nH]cc3C#N)n21 ZINC000362356060 159128792 /nfs/dbraw/zinc/12/87/92/159128792.db2.gz IYTDZPSPGFSQAF-UHFFFAOYSA-N 1 2 252.281 1.272 20 30 CDEDLO N#Cc1ccc2ncc(C[N@@H+]3CCO[C@H]4CCC[C@@H]43)n2c1 ZINC000372442599 160121904 /nfs/dbraw/zinc/12/19/04/160121904.db2.gz SWQHKWHXHVOWTN-GJZGRUSLSA-N 1 2 282.347 1.959 20 30 CDEDLO N#Cc1ccc2ncc(C[N@H+]3CCO[C@H]4CCC[C@@H]43)n2c1 ZINC000372442599 160121905 /nfs/dbraw/zinc/12/19/05/160121905.db2.gz SWQHKWHXHVOWTN-GJZGRUSLSA-N 1 2 282.347 1.959 20 30 CDEDLO C=CCN1CC[C@H]([NH2+]C(C)(C)c2nc(C)cc(=O)[nH]2)C1=O ZINC000660749337 413437860 /nfs/dbraw/zinc/43/78/60/413437860.db2.gz IVJSRJYXRFNTFC-NSHDSACASA-N 1 2 290.367 1.102 20 30 CDEDLO C=CCN(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[C@@H](C)COC ZINC000664713987 413606733 /nfs/dbraw/zinc/60/67/33/413606733.db2.gz GOWPFBACZJFSOO-QWHCGFSZSA-N 1 2 292.383 1.430 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661120663 413808325 /nfs/dbraw/zinc/80/83/25/413808325.db2.gz QOIOMYGDPDUEJZ-AAEUAGOBSA-N 1 2 278.356 1.532 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661120663 413808330 /nfs/dbraw/zinc/80/83/30/413808330.db2.gz QOIOMYGDPDUEJZ-AAEUAGOBSA-N 1 2 278.356 1.532 20 30 CDEDLO C#CC[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000040460983 174270816 /nfs/dbraw/zinc/27/08/16/174270816.db2.gz QNPRVOCJHMWOBJ-UHFFFAOYSA-N 1 2 278.783 1.970 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000076398325 177015731 /nfs/dbraw/zinc/01/57/31/177015731.db2.gz JVKWXDUWPJGKNG-NSHDSACASA-N 1 2 293.333 1.247 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000076398325 177015732 /nfs/dbraw/zinc/01/57/32/177015732.db2.gz JVKWXDUWPJGKNG-NSHDSACASA-N 1 2 293.333 1.247 20 30 CDEDLO C=CCN(CC=C)C(=O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000078821464 177393443 /nfs/dbraw/zinc/39/34/43/177393443.db2.gz VYWCHUXJQSMLDG-STQMWFEESA-N 1 2 252.358 1.296 20 30 CDEDLO C[C@H](C#N)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000347060489 226009344 /nfs/dbraw/zinc/00/93/44/226009344.db2.gz CPBQJNGNXVBEJZ-GFCCVEGCSA-N 1 2 272.352 1.848 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000336488040 227059810 /nfs/dbraw/zinc/05/98/10/227059810.db2.gz VFYJLUVVJCYBLR-VXGBXAGGSA-N 1 2 260.341 1.361 20 30 CDEDLO Cc1cnc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)cn1 ZINC000329024926 227261510 /nfs/dbraw/zinc/26/15/10/227261510.db2.gz VACFUETWQNIFEV-ZDUSSCGKSA-N 1 2 260.341 1.868 20 30 CDEDLO Cc1cnc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)cn1 ZINC000329024926 227261514 /nfs/dbraw/zinc/26/15/14/227261514.db2.gz VACFUETWQNIFEV-ZDUSSCGKSA-N 1 2 260.341 1.868 20 30 CDEDLO O=C(C[N@@H+]1CCO[C@]2(CCCOC2)C1)NC[C@H]1CCCO1 ZINC000329095794 227293053 /nfs/dbraw/zinc/29/30/53/227293053.db2.gz XZFSFSWYJJYJDB-UKRRQHHQSA-N 1 2 298.383 1.003 20 30 CDEDLO O=C(C[N@H+]1CCO[C@]2(CCCOC2)C1)NC[C@H]1CCCO1 ZINC000329095794 227293055 /nfs/dbraw/zinc/29/30/55/227293055.db2.gz XZFSFSWYJJYJDB-UKRRQHHQSA-N 1 2 298.383 1.003 20 30 CDEDLO O=C(C[N@@H+]1CCCOCC1)NC[C@H]1Cc2ccccc2O1 ZINC000329271117 227397627 /nfs/dbraw/zinc/39/76/27/227397627.db2.gz JCMMISNYTOPCSH-CQSZACIVSA-N 1 2 290.363 1.669 20 30 CDEDLO O=C(C[N@H+]1CCCOCC1)NC[C@H]1Cc2ccccc2O1 ZINC000329271117 227397632 /nfs/dbraw/zinc/39/76/32/227397632.db2.gz JCMMISNYTOPCSH-CQSZACIVSA-N 1 2 290.363 1.669 20 30 CDEDLO O=C(C[N@@H+]1CCc2n[nH]c(=O)cc2C1)NCC1CCC1 ZINC000330125504 228044786 /nfs/dbraw/zinc/04/47/86/228044786.db2.gz CRGBWJDEGOBXMO-UHFFFAOYSA-N 1 2 276.340 1.297 20 30 CDEDLO O=C(C[N@H+]1CCc2n[nH]c(=O)cc2C1)NCC1CCC1 ZINC000330125504 228044789 /nfs/dbraw/zinc/04/47/89/228044789.db2.gz CRGBWJDEGOBXMO-UHFFFAOYSA-N 1 2 276.340 1.297 20 30 CDEDLO [O-]C(NCC1CCOCC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330196377 228062433 /nfs/dbraw/zinc/06/24/33/228062433.db2.gz QDFWCFVYFXAEQH-LBPRGKRZSA-N 1 2 278.356 1.128 20 30 CDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]CC1CCOCC1 ZINC000330196377 228062434 /nfs/dbraw/zinc/06/24/34/228062434.db2.gz QDFWCFVYFXAEQH-LBPRGKRZSA-N 1 2 278.356 1.128 20 30 CDEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C2(C#N)CCC2)C[C@H](C)O1 ZINC000331894576 228136626 /nfs/dbraw/zinc/13/66/26/228136626.db2.gz QHEITBQFBRFLCG-BETUJISGSA-N 1 2 279.384 1.248 20 30 CDEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)C2(C#N)CCC2)C[C@H](C)O1 ZINC000331894576 228136629 /nfs/dbraw/zinc/13/66/29/228136629.db2.gz QHEITBQFBRFLCG-BETUJISGSA-N 1 2 279.384 1.248 20 30 CDEDLO CC[C@@H](C)NC(=O)CO[NH+]=C(N)c1ccc(OC)cc1 ZINC000048610469 260201409 /nfs/dbraw/zinc/20/14/09/260201409.db2.gz OTFFXSQFQPNNOP-SNVBAGLBSA-N 1 2 279.340 1.247 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCC(=O)NC2CCCC2)ccc1F ZINC000063458091 260240063 /nfs/dbraw/zinc/24/00/63/260240063.db2.gz NOSQUXYWVZSDMO-UHFFFAOYSA-N 1 2 293.342 1.830 20 30 CDEDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)O[NH+]=C(N)CCO ZINC000121383465 260710005 /nfs/dbraw/zinc/71/00/05/260710005.db2.gz DBSBBPZVTWSKSP-VIFPVBQESA-N 1 2 267.285 1.635 20 30 CDEDLO CCc1nnc(CO[NH+]=C(N)c2cccc(OC)c2)o1 ZINC000160911441 261230966 /nfs/dbraw/zinc/23/09/66/261230966.db2.gz ORYFWXNRPJGVFM-UHFFFAOYSA-N 1 2 276.296 1.478 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000249720502 261259448 /nfs/dbraw/zinc/25/94/48/261259448.db2.gz LZNZOPDLWOPZKL-FRRDWIJNSA-N 1 2 267.373 1.104 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000249720502 261259449 /nfs/dbraw/zinc/25/94/49/261259449.db2.gz LZNZOPDLWOPZKL-FRRDWIJNSA-N 1 2 267.373 1.104 20 30 CDEDLO C=CCNC(=O)C[NH+]1CCC(C(=O)c2cccs2)CC1 ZINC000364387914 262224899 /nfs/dbraw/zinc/22/48/99/262224899.db2.gz 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/nfs/dbraw/zinc/08/75/51/263087551.db2.gz YAYRLWHDWKXVHN-JQWIXIFHSA-N 1 2 277.324 1.481 20 30 CDEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCO[C@@H](C#N)C1 ZINC000287409801 263101892 /nfs/dbraw/zinc/10/18/92/263101892.db2.gz FDNGDHIYTDFBGT-NSHDSACASA-N 1 2 260.297 1.455 20 30 CDEDLO CO/N=C/C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000289833101 263112380 /nfs/dbraw/zinc/11/23/80/263112380.db2.gz OVXVDGUVWKSLRT-MHWRWJLKSA-N 1 2 279.315 1.102 20 30 CDEDLO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CCC#N ZINC000299223212 263235655 /nfs/dbraw/zinc/23/56/55/263235655.db2.gz IAWRJAZYFWFMPJ-JSGCOSHPSA-N 1 2 279.363 1.178 20 30 CDEDLO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CCC#N ZINC000299223212 263235658 /nfs/dbraw/zinc/23/56/58/263235658.db2.gz IAWRJAZYFWFMPJ-JSGCOSHPSA-N 1 2 279.363 1.178 20 30 CDEDLO C=C[C@@H](C)NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000340796330 263305979 /nfs/dbraw/zinc/30/59/79/263305979.db2.gz DTBNHWDBJMDTLH-LLVKDONJSA-N 1 2 284.319 1.502 20 30 CDEDLO C=CC[C@@H](CO)CNc1nc(C)[nH+]c2ccc(OC)cc21 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C=CCC[C@@H](O)C[N@H+]1CCO[C@H](c2noc(C)n2)C1 ZINC000330773716 264034171 /nfs/dbraw/zinc/03/41/71/264034171.db2.gz QQSHFPKPNZYNQM-NEPJUHHUSA-N 1 2 267.329 1.078 20 30 CDEDLO C[C@H](NC(=O)NCCC(F)(F)F)[C@H](C)[NH+]1CCOCC1 ZINC000330941547 264083572 /nfs/dbraw/zinc/08/35/72/264083572.db2.gz YQXXREPAVBVSSQ-UWVGGRQHSA-N 1 2 297.321 1.552 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331324399 264190631 /nfs/dbraw/zinc/19/06/31/264190631.db2.gz NLZYYXHNPPSJCN-ZIAGYGMSSA-N 1 2 295.427 1.741 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331324399 264190634 /nfs/dbraw/zinc/19/06/34/264190634.db2.gz NLZYYXHNPPSJCN-ZIAGYGMSSA-N 1 2 295.427 1.741 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000250117809 264251130 /nfs/dbraw/zinc/25/11/30/264251130.db2.gz RVKJRRRWAWOVPW-CHWSQXEVSA-N 1 2 281.400 1.494 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000250117809 264251131 /nfs/dbraw/zinc/25/11/31/264251131.db2.gz RVKJRRRWAWOVPW-CHWSQXEVSA-N 1 2 281.400 1.494 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000189120876 264271694 /nfs/dbraw/zinc/27/16/94/264271694.db2.gz TUNUUHFZIGHDCQ-JTQLQIEISA-N 1 2 290.323 1.037 20 30 CDEDLO CC(C)[C@@H](CNC(=O)C1(C#N)CCC1)[NH+]1CCOCC1 ZINC000128823706 264308724 /nfs/dbraw/zinc/30/87/24/264308724.db2.gz FAGARTUFIUDUHV-CYBMUJFWSA-N 1 2 279.384 1.153 20 30 CDEDLO Cc1cccn2c(=O)cc(C[N@@H+](C)[C@@H](C)CC#N)nc12 ZINC000129673018 264330547 /nfs/dbraw/zinc/33/05/47/264330547.db2.gz BUGFXSOXEDRZFX-LBPRGKRZSA-N 1 2 270.336 1.737 20 30 CDEDLO Cc1cccn2c(=O)cc(C[N@H+](C)[C@@H](C)CC#N)nc12 ZINC000129673018 264330549 /nfs/dbraw/zinc/33/05/49/264330549.db2.gz BUGFXSOXEDRZFX-LBPRGKRZSA-N 1 2 270.336 1.737 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](CCC)CC(=O)OCC)C1=O ZINC000282058043 424208028 /nfs/dbraw/zinc/20/80/28/424208028.db2.gz RZSOOSVHZRMSSB-GFCCVEGCSA-N 1 2 268.357 1.048 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](CCC)CC(=O)OCC)C1=O ZINC000282058043 424208040 /nfs/dbraw/zinc/20/80/40/424208040.db2.gz RZSOOSVHZRMSSB-GFCCVEGCSA-N 1 2 268.357 1.048 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](NC(=O)CC)C2)nn1 ZINC000653527132 424244749 /nfs/dbraw/zinc/24/47/49/424244749.db2.gz YTYDPASOGLRJFY-ZDUSSCGKSA-N 1 2 291.399 1.345 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](NC(=O)CC)C2)nn1 ZINC000653527132 424244757 /nfs/dbraw/zinc/24/47/57/424244757.db2.gz YTYDPASOGLRJFY-ZDUSSCGKSA-N 1 2 291.399 1.345 20 30 CDEDLO C=CCCCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000664782663 424337808 /nfs/dbraw/zinc/33/78/08/424337808.db2.gz AWHHDFYKMUPOIW-OLZOCXBDSA-N 1 2 269.389 1.361 20 30 CDEDLO C=CCCCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000664782663 424337813 /nfs/dbraw/zinc/33/78/13/424337813.db2.gz AWHHDFYKMUPOIW-OLZOCXBDSA-N 1 2 269.389 1.361 20 30 CDEDLO Cc1nc(C2CC2)ccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000519761290 265582999 /nfs/dbraw/zinc/58/29/99/265582999.db2.gz SRPCECLMININMT-MRXNPFEDSA-N 1 2 286.379 1.841 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCSc1cc(C#N)ccn1 ZINC000188297737 267067978 /nfs/dbraw/zinc/06/79/78/267067978.db2.gz MBUWJLFMIURQEV-LLVKDONJSA-N 1 2 263.366 1.766 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCSc1cc(C#N)ccn1 ZINC000188297737 267067981 /nfs/dbraw/zinc/06/79/81/267067981.db2.gz MBUWJLFMIURQEV-LLVKDONJSA-N 1 2 263.366 1.766 20 30 CDEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCC#N)C1 ZINC000367604437 267104110 /nfs/dbraw/zinc/10/41/10/267104110.db2.gz TUZBLBTZCLUPTD-VIFPVBQESA-N 1 2 250.220 1.327 20 30 CDEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CCC#N)C1 ZINC000367604437 267104111 /nfs/dbraw/zinc/10/41/11/267104111.db2.gz TUZBLBTZCLUPTD-VIFPVBQESA-N 1 2 250.220 1.327 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CCOC2)C1 ZINC001033366674 687055848 /nfs/dbraw/zinc/05/58/48/687055848.db2.gz YMXUFSROQFLEBH-WCQYABFASA-N 1 2 290.766 1.400 20 30 CDEDLO CCOC[C@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CCO1 ZINC000528725462 267142140 /nfs/dbraw/zinc/14/21/40/267142140.db2.gz 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/nfs/dbraw/zinc/29/08/11/270290811.db2.gz NNCUMPCKIBESEX-HNNXBMFYSA-N 1 2 260.385 1.669 20 30 CDEDLO CC(C)[C@@H]1CN(C)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191468699 270290812 /nfs/dbraw/zinc/29/08/12/270290812.db2.gz NNCUMPCKIBESEX-HNNXBMFYSA-N 1 2 260.385 1.669 20 30 CDEDLO COC(=O)[C@@H]1CCN(c2cc(C)[nH+]cc2C#N)C[C@@H]1C ZINC000425256618 277092707 /nfs/dbraw/zinc/09/27/07/277092707.db2.gz PBCLJPMKYQTSRV-GXFFZTMASA-N 1 2 273.336 1.897 20 30 CDEDLO Cc1[nH]c(=O)ccc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330312169 279103870 /nfs/dbraw/zinc/10/38/70/279103870.db2.gz OCAANTRUZNHWJD-JTQLQIEISA-N 1 2 272.308 1.612 20 30 CDEDLO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352480488 280744570 /nfs/dbraw/zinc/74/45/70/280744570.db2.gz CNTAFOHWDVDVDQ-QWRGUYRKSA-N 1 2 255.337 1.617 20 30 CDEDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CC1(C#N)CC1 ZINC000336177310 281158838 /nfs/dbraw/zinc/15/88/38/281158838.db2.gz OAIHWKHBPXZBMF-UHFFFAOYSA-N 1 2 261.369 1.623 20 30 CDEDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1CC1(C#N)CC1 ZINC000336177310 281158842 /nfs/dbraw/zinc/15/88/42/281158842.db2.gz OAIHWKHBPXZBMF-UHFFFAOYSA-N 1 2 261.369 1.623 20 30 CDEDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1cc(C#N)cs1 ZINC000093055495 289055805 /nfs/dbraw/zinc/05/58/05/289055805.db2.gz USEWCYZCNSHTQK-GFCCVEGCSA-N 1 2 263.366 1.576 20 30 CDEDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000093055495 289055811 /nfs/dbraw/zinc/05/58/11/289055811.db2.gz USEWCYZCNSHTQK-GFCCVEGCSA-N 1 2 263.366 1.576 20 30 CDEDLO CCCC[C@H](C)C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N ZINC000556921927 290315899 /nfs/dbraw/zinc/31/58/99/290315899.db2.gz JHFIFUJWEODDOS-NSHDSACASA-N 1 2 291.399 1.620 20 30 CDEDLO CO[C@@H]1C[C@H]([N@H+](C)Cc2ncc(C#N)cn2)C12CCC2 ZINC000557259515 290339565 /nfs/dbraw/zinc/33/95/65/290339565.db2.gz IQJFFNPPSOPRCA-QWHCGFSZSA-N 1 2 272.352 1.738 20 30 CDEDLO CO[C@@H]1C[C@H]([N@@H+](C)Cc2ncc(C#N)cn2)C12CCC2 ZINC000557259515 290339568 /nfs/dbraw/zinc/33/95/68/290339568.db2.gz 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/nfs/dbraw/zinc/04/01/27/317040127.db2.gz SOLFLGDQMJYXEY-NSHDSACASA-N 1 2 285.351 1.600 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000577539554 317352705 /nfs/dbraw/zinc/35/27/05/317352705.db2.gz XCPUZHSMRGNZGJ-FZMZJTMJSA-N 1 2 280.755 1.387 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000577539554 317352709 /nfs/dbraw/zinc/35/27/09/317352709.db2.gz XCPUZHSMRGNZGJ-FZMZJTMJSA-N 1 2 280.755 1.387 20 30 CDEDLO CCOc1ccc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000571590204 328136223 /nfs/dbraw/zinc/13/62/23/328136223.db2.gz JBAIJKNPKYUVTA-INIZCTEOSA-N 1 2 289.379 1.588 20 30 CDEDLO N#CCN(Cc1[nH+]ccn1CC(F)(F)F)C1CC1 ZINC000264086765 328157403 /nfs/dbraw/zinc/15/74/03/328157403.db2.gz PKUPKJUHCNNRIP-UHFFFAOYSA-N 1 2 258.247 1.933 20 30 CDEDLO CC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000268386479 328184607 /nfs/dbraw/zinc/18/46/07/328184607.db2.gz PAFPDCPJQGWDLO-IUODEOHRSA-N 1 2 290.363 1.863 20 30 CDEDLO CC(=O)c1cccc(OC[C@H](O)C[N@H+](C)[C@H](C)CC#N)c1 ZINC000268386479 328184608 /nfs/dbraw/zinc/18/46/08/328184608.db2.gz PAFPDCPJQGWDLO-IUODEOHRSA-N 1 2 290.363 1.863 20 30 CDEDLO Cc1ccccc1CNC(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000284462683 328246119 /nfs/dbraw/zinc/24/61/19/328246119.db2.gz QUFXROUVHJFMCF-CYBMUJFWSA-N 1 2 291.351 1.079 20 30 CDEDLO COc1cncc(CO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000288759698 328253552 /nfs/dbraw/zinc/25/35/52/328253552.db2.gz YXGGVDOJPACDQG-LLVKDONJSA-N 1 2 251.286 1.058 20 30 CDEDLO CN(CCC#N)c1ccc(C[NH2+][C@]2(C)CCOC2=O)cc1 ZINC000289850973 328256313 /nfs/dbraw/zinc/25/63/13/328256313.db2.gz PQKPCBDSXMKZJH-MRXNPFEDSA-N 1 2 287.363 1.832 20 30 CDEDLO C=CCC[C@H](O)C[NH2+][C@H](C(=O)OC)[C@@H]1CCC[C@@H](OC)C1 ZINC000566013364 327114576 /nfs/dbraw/zinc/11/45/76/327114576.db2.gz NTOIZHGQRRAJJP-BARDWOONSA-N 1 2 299.411 1.650 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc2c1OCCO2 ZINC000562322897 327470325 /nfs/dbraw/zinc/47/03/25/327470325.db2.gz 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/nfs/dbraw/zinc/23/00/57/329230057.db2.gz NIVZXIVJVUPFJI-UHFFFAOYSA-N 1 2 283.393 1.977 20 30 CDEDLO C=CCNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186289893 329341397 /nfs/dbraw/zinc/34/13/97/329341397.db2.gz OUKHUIMMWMUFKT-UHFFFAOYSA-N 1 2 260.341 1.489 20 30 CDEDLO CN(CCC#N)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000126716067 329593926 /nfs/dbraw/zinc/59/39/26/329593926.db2.gz RZBWEURFSASOIM-UHFFFAOYSA-N 1 2 268.320 1.917 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000195065854 329690138 /nfs/dbraw/zinc/69/01/38/329690138.db2.gz KQOJXADRULIXEE-GXTWGEPZSA-N 1 2 299.399 1.960 20 30 CDEDLO C=C(C)CN(CC)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434465977 330639394 /nfs/dbraw/zinc/63/93/94/330639394.db2.gz SWRNQVHMTRWNDC-UHFFFAOYSA-N 1 2 281.400 1.459 20 30 CDEDLO CCn1cc(C[N@H+](CCO)CC2(C#N)CCC2)cn1 ZINC000450894242 331005427 /nfs/dbraw/zinc/00/54/27/331005427.db2.gz UWINEACNFYPUIE-UHFFFAOYSA-N 1 2 262.357 1.391 20 30 CDEDLO CCn1cc(C[N@@H+](CCO)CC2(C#N)CCC2)cn1 ZINC000450894242 331005428 /nfs/dbraw/zinc/00/54/28/331005428.db2.gz UWINEACNFYPUIE-UHFFFAOYSA-N 1 2 262.357 1.391 20 30 CDEDLO C=CCCCC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456219186 331186664 /nfs/dbraw/zinc/18/66/64/331186664.db2.gz UQAIQNWKPPQHLM-BETUJISGSA-N 1 2 252.358 1.322 20 30 CDEDLO C=CCCCC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456219186 331186665 /nfs/dbraw/zinc/18/66/65/331186665.db2.gz UQAIQNWKPPQHLM-BETUJISGSA-N 1 2 252.358 1.322 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000456785068 331203886 /nfs/dbraw/zinc/20/38/86/331203886.db2.gz XWDWUYYPPUGUBU-ZDUSSCGKSA-N 1 2 287.363 1.788 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000459043621 331267964 /nfs/dbraw/zinc/26/79/64/331267964.db2.gz DLWSNQVRFMGSHG-VXGBXAGGSA-N 1 2 280.372 1.448 20 30 CDEDLO C#C[C@@H](CC)NC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000490720447 332108951 /nfs/dbraw/zinc/10/89/51/332108951.db2.gz RPWQFXFKJCTXQG-STQMWFEESA-N 1 2 289.383 1.210 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000490779491 332114985 /nfs/dbraw/zinc/11/49/85/332114985.db2.gz XMNLTQOPCKZGHY-UHFFFAOYSA-N 1 2 288.347 1.742 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000490779491 332114986 /nfs/dbraw/zinc/11/49/86/332114986.db2.gz XMNLTQOPCKZGHY-UHFFFAOYSA-N 1 2 288.347 1.742 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)N(C)c1ccccc1C(=O)OC ZINC000490780254 332115167 /nfs/dbraw/zinc/11/51/67/332115167.db2.gz HVKLKIUHXDLQBQ-UHFFFAOYSA-N 1 2 288.347 1.391 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)N(C)c1ccccc1C(=O)OC ZINC000490780254 332115168 /nfs/dbraw/zinc/11/51/68/332115168.db2.gz HVKLKIUHXDLQBQ-UHFFFAOYSA-N 1 2 288.347 1.391 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000491096086 332149012 /nfs/dbraw/zinc/14/90/12/332149012.db2.gz PAOOXXNJTIMRCN-GUBZILKMSA-N 1 2 262.275 1.397 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000491096086 332149013 /nfs/dbraw/zinc/14/90/13/332149013.db2.gz PAOOXXNJTIMRCN-GUBZILKMSA-N 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/nfs/dbraw/zinc/23/79/42/332237942.db2.gz XLWOYOQLYHOTDR-LBPRGKRZSA-N 1 2 287.363 1.280 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@H](c2cccnc2)CC1=O ZINC000491626063 332249910 /nfs/dbraw/zinc/24/99/10/332249910.db2.gz IDCOLDDJOOHRRR-GXTWGEPZSA-N 1 2 257.337 1.309 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@H](c2cccnc2)CC1=O ZINC000491626063 332249911 /nfs/dbraw/zinc/24/99/11/332249911.db2.gz IDCOLDDJOOHRRR-GXTWGEPZSA-N 1 2 257.337 1.309 20 30 CDEDLO C#CCN(C(=O)NCc1ccn2cc[nH+]c2c1)C1CC1 ZINC000491660064 332270472 /nfs/dbraw/zinc/27/04/72/332270472.db2.gz DGRXDXQVPNFPCO-UHFFFAOYSA-N 1 2 268.320 1.642 20 30 CDEDLO C#CCN(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000491669281 332276905 /nfs/dbraw/zinc/27/69/05/332276905.db2.gz PGSVAJISPFDFFT-CQSZACIVSA-N 1 2 282.347 1.784 20 30 CDEDLO C#C[C@H](CC)NC(=O)[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000491670600 332277672 /nfs/dbraw/zinc/27/76/72/332277672.db2.gz DMBFICFHQPDCOZ-HUUCEWRRSA-N 1 2 280.412 1.651 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000491670930 332277941 /nfs/dbraw/zinc/27/79/41/332277941.db2.gz WARXYTNUJKHRGK-VIFPVBQESA-N 1 2 280.397 1.728 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000491670930 332277942 /nfs/dbraw/zinc/27/79/42/332277942.db2.gz WARXYTNUJKHRGK-VIFPVBQESA-N 1 2 280.397 1.728 20 30 CDEDLO C#C[C@H](CCC)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000491683355 332285886 /nfs/dbraw/zinc/28/58/86/332285886.db2.gz XWBBWHYAWYFGDD-CQSZACIVSA-N 1 2 286.379 1.715 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1CCN(c2ccccc2)C1=O ZINC000491696117 332291611 /nfs/dbraw/zinc/29/16/11/332291611.db2.gz ITRNKWNSTKXFDP-ZDUSSCGKSA-N 1 2 257.337 1.840 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1CCN(c2ccccc2)C1=O ZINC000491696117 332291613 /nfs/dbraw/zinc/29/16/13/332291613.db2.gz ITRNKWNSTKXFDP-ZDUSSCGKSA-N 1 2 257.337 1.840 20 30 CDEDLO C#CCN(C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000491756830 332329864 /nfs/dbraw/zinc/32/98/64/332329864.db2.gz AIIXZFONOJFJCA-SNVBAGLBSA-N 1 2 258.325 1.074 20 30 CDEDLO C#CCN(C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000491756830 332329866 /nfs/dbraw/zinc/32/98/66/332329866.db2.gz AIIXZFONOJFJCA-SNVBAGLBSA-N 1 2 258.325 1.074 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000491775124 332341012 /nfs/dbraw/zinc/34/10/12/332341012.db2.gz USBNWDXWEWAVRQ-SNVBAGLBSA-N 1 2 299.330 1.576 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000491775124 332341013 /nfs/dbraw/zinc/34/10/13/332341013.db2.gz USBNWDXWEWAVRQ-SNVBAGLBSA-N 1 2 299.330 1.576 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+]Cc1ccc2c(c1)C(=O)NCC2 ZINC000517558245 333102622 /nfs/dbraw/zinc/10/26/22/333102622.db2.gz JOYQUAIEEXAYAR-CYBMUJFWSA-N 1 2 282.347 1.506 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](CC)C[C@@H](O)C(F)(F)F ZINC000189536591 333194550 /nfs/dbraw/zinc/19/45/50/333194550.db2.gz RNJOWEQDBONNEH-LLVKDONJSA-N 1 2 296.333 1.656 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CC)C[C@@H](O)C(F)(F)F ZINC000189536591 333194552 /nfs/dbraw/zinc/19/45/52/333194552.db2.gz RNJOWEQDBONNEH-LLVKDONJSA-N 1 2 296.333 1.656 20 30 CDEDLO C[C@@H]1C[N@H+](CCN(CC#N)C2CCCC2)CCO1 ZINC000192744218 333238831 /nfs/dbraw/zinc/23/88/31/333238831.db2.gz DDEJWCSYJHUMKX-CYBMUJFWSA-N 1 2 251.374 1.475 20 30 CDEDLO C[C@@H]1C[N@@H+](CCN(CC#N)C2CCCC2)CCO1 ZINC000192744218 333238833 /nfs/dbraw/zinc/23/88/33/333238833.db2.gz DDEJWCSYJHUMKX-CYBMUJFWSA-N 1 2 251.374 1.475 20 30 CDEDLO C=CCOCCCC(=O)NCCc1c[nH+]cn1C ZINC000541543051 333778967 /nfs/dbraw/zinc/77/89/67/333778967.db2.gz GSHAEHIQYQVRQF-UHFFFAOYSA-N 1 2 251.330 1.062 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(CC#Cc3ccccc3Cl)C[C@@H]21 ZINC000135166269 334118541 /nfs/dbraw/zinc/11/85/41/334118541.db2.gz GVBBUHUHMIENAR-HOTGVXAUSA-N 1 2 290.794 1.706 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(CC#Cc3ccccc3Cl)C[C@@H]21 ZINC000135166269 334118542 /nfs/dbraw/zinc/11/85/42/334118542.db2.gz GVBBUHUHMIENAR-HOTGVXAUSA-N 1 2 290.794 1.706 20 30 CDEDLO C=CCCCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000548437295 334156235 /nfs/dbraw/zinc/15/62/35/334156235.db2.gz YEUGQENQHXRLFH-UHFFFAOYSA-N 1 2 271.324 1.748 20 30 CDEDLO N#CC1(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CCC1 ZINC000553297132 334374469 /nfs/dbraw/zinc/37/44/69/334374469.db2.gz GWETXBOHOVZTOW-UHFFFAOYSA-N 1 2 281.319 1.959 20 30 CDEDLO CO[C@@H]1CCC[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000566072104 334620397 /nfs/dbraw/zinc/62/03/97/334620397.db2.gz XIVHSYCTBYVEQE-YRGRVCCFSA-N 1 2 267.373 1.152 20 30 CDEDLO CC[C@@H]1CCCC[C@H]1OCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000576758760 335244490 /nfs/dbraw/zinc/24/44/90/335244490.db2.gz GKERXVHELYLEBN-FMKPAKJESA-N 1 2 295.427 1.932 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)NCCCCn1cc[nH+]c1 ZINC000579081813 335707170 /nfs/dbraw/zinc/70/71/70/335707170.db2.gz MYUMVZSNYZYEFA-ZDUSSCGKSA-N 1 2 280.372 1.290 20 30 CDEDLO Cc1ccc(O[C@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000581432771 336076669 /nfs/dbraw/zinc/07/66/69/336076669.db2.gz KBWUTBIIFNVNMF-CJNGLKHVSA-N 1 2 289.379 1.722 20 30 CDEDLO CC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1COC1 ZINC000581529743 336095770 /nfs/dbraw/zinc/09/57/70/336095770.db2.gz NFEWIBLMOGAKCL-UHFFFAOYSA-N 1 2 279.384 1.392 20 30 CDEDLO CC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1COC1 ZINC000581529743 336095771 /nfs/dbraw/zinc/09/57/71/336095771.db2.gz NFEWIBLMOGAKCL-UHFFFAOYSA-N 1 2 279.384 1.392 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1OCCc2ccccc21 ZINC000581827466 336148462 /nfs/dbraw/zinc/14/84/62/336148462.db2.gz SHBJXCMZQCFFEJ-GOEBONIOSA-N 1 2 287.363 1.260 20 30 CDEDLO COCC#CC[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000677817289 482792964 /nfs/dbraw/zinc/79/29/64/482792964.db2.gz NHVMDPLGWHVSOZ-UHFFFAOYSA-N 1 2 290.338 1.233 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000675024379 483210634 /nfs/dbraw/zinc/21/06/34/483210634.db2.gz VZPIVAPTUAKRSL-LLVKDONJSA-N 1 2 284.363 1.653 20 30 CDEDLO COCC#CC[N@@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000683040996 483411007 /nfs/dbraw/zinc/41/10/07/483411007.db2.gz LNJUPKOUBLBRGN-ZDUSSCGKSA-N 1 2 265.382 1.160 20 30 CDEDLO COCC#CC[N@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000683040996 483411012 /nfs/dbraw/zinc/41/10/12/483411012.db2.gz LNJUPKOUBLBRGN-ZDUSSCGKSA-N 1 2 265.382 1.160 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)c3cn[nH]n3)CCC[C@H]12 ZINC000991573103 1160979614 /nfs/dbraw/zinc/97/96/14/1160979614.db2.gz WXKQZNAFQLZMLP-WCQYABFASA-N 1 2 295.774 1.284 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)c3cn[nH]n3)CCC[C@H]12 ZINC000991573103 1160979619 /nfs/dbraw/zinc/97/96/19/1160979619.db2.gz WXKQZNAFQLZMLP-WCQYABFASA-N 1 2 295.774 1.284 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnoc2C(C)C)C1 ZINC001044131235 687488422 /nfs/dbraw/zinc/48/84/22/687488422.db2.gz HFDAGWWFAOJVDR-UHFFFAOYSA-N 1 2 275.352 1.578 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)[C@H]2C1 ZINC001083140154 1161585652 /nfs/dbraw/zinc/58/56/52/1161585652.db2.gz OVRYRMLFVXTLDR-APIJFGDWSA-N 1 2 290.407 1.213 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)[C@H]2C1 ZINC001083140154 1161585657 /nfs/dbraw/zinc/58/56/57/1161585657.db2.gz OVRYRMLFVXTLDR-APIJFGDWSA-N 1 2 290.407 1.213 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C(C)(C)C(C)(F)F)C1 ZINC001753656015 1185290074 /nfs/dbraw/zinc/29/00/74/1185290074.db2.gz KGWLWTFEHRPTNS-NSHDSACASA-N 1 2 290.354 1.671 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)C(F)(F)F ZINC001754499438 1185644272 /nfs/dbraw/zinc/64/42/72/1185644272.db2.gz GXBRUNQPXKNHJY-SNVBAGLBSA-N 1 2 276.302 1.789 20 30 CDEDLO Cc1noc([C@@H]2CCCN2C(=O)NCc2[nH+]ccn2C)n1 ZINC000329197741 534449733 /nfs/dbraw/zinc/44/97/33/534449733.db2.gz ABLXMRIMNGWMTC-JTQLQIEISA-N 1 2 290.327 1.363 20 30 CDEDLO Cc1cc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)nc(C)n1 ZINC000340624873 524762800 /nfs/dbraw/zinc/76/28/00/524762800.db2.gz UCICITIQEUOEIJ-OAHLLOKOSA-N 1 2 295.346 1.281 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NCC2CCC2)CCO1 ZINC000330320858 534813783 /nfs/dbraw/zinc/81/37/83/534813783.db2.gz FNVYLNVQPYWACE-OCCSQVGLSA-N 1 2 292.383 1.944 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2sccc2C1 ZINC000049332466 526242036 /nfs/dbraw/zinc/24/20/36/526242036.db2.gz WFUNVPXVQAPMJK-NSHDSACASA-N 1 2 277.393 1.867 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCc2sccc2C1 ZINC000049332466 526242039 /nfs/dbraw/zinc/24/20/39/526242039.db2.gz WFUNVPXVQAPMJK-NSHDSACASA-N 1 2 277.393 1.867 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)[nH]1 ZINC000337671411 526592597 /nfs/dbraw/zinc/59/25/97/526592597.db2.gz WGUGFYDCHINTAH-CQSZACIVSA-N 1 2 281.319 1.068 20 30 CDEDLO N#Cc1ccc(OCC[N@@H+]2CCOCC23CC3)cc1 ZINC000338596234 526675111 /nfs/dbraw/zinc/67/51/11/526675111.db2.gz FBGRWHXWNUXTPN-UHFFFAOYSA-N 1 2 258.321 1.802 20 30 CDEDLO N#Cc1ccc(OCC[N@H+]2CCOCC23CC3)cc1 ZINC000338596234 526675116 /nfs/dbraw/zinc/67/51/16/526675116.db2.gz FBGRWHXWNUXTPN-UHFFFAOYSA-N 1 2 258.321 1.802 20 30 CDEDLO N#Cc1csc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)c1 ZINC000374387859 526780481 /nfs/dbraw/zinc/78/04/81/526780481.db2.gz PPCRQQXIMGHWIQ-ZDUSSCGKSA-N 1 2 298.371 1.801 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000353627662 527617004 /nfs/dbraw/zinc/61/70/04/527617004.db2.gz ZHNTUQFEMJTRCW-CZUORRHYSA-N 1 2 291.395 1.965 20 30 CDEDLO C#Cc1ccc(C(=O)Nc2c[nH+]ccc2OC)cn1 ZINC000728819729 574650468 /nfs/dbraw/zinc/65/04/68/574650468.db2.gz GTXRJLOPAAWKGP-UHFFFAOYSA-N 1 2 253.261 1.719 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](SC)C1 ZINC000772171232 575668490 /nfs/dbraw/zinc/66/84/90/575668490.db2.gz JPMZOWNCARFWQH-KBPBESRZSA-N 1 2 280.437 1.828 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H](SC)C1 ZINC000772171232 575668493 /nfs/dbraw/zinc/66/84/93/575668493.db2.gz JPMZOWNCARFWQH-KBPBESRZSA-N 1 2 280.437 1.828 20 30 CDEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732987658 575099763 /nfs/dbraw/zinc/09/97/63/575099763.db2.gz YPKGXEMMCKCKPS-CYBMUJFWSA-N 1 2 279.290 1.741 20 30 CDEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732987658 575099764 /nfs/dbraw/zinc/09/97/64/575099764.db2.gz YPKGXEMMCKCKPS-CYBMUJFWSA-N 1 2 279.290 1.741 20 30 CDEDLO N#Cc1cccc(OCC(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000733983767 575151945 /nfs/dbraw/zinc/15/19/45/575151945.db2.gz QLHQHMLDZDSICK-UHFFFAOYSA-N 1 2 282.303 1.217 20 30 CDEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)[C@H](C#N)c1ccncn1 ZINC000774414749 575203573 /nfs/dbraw/zinc/20/35/73/575203573.db2.gz JQDMWPICGNOLID-DGCLKSJQSA-N 1 2 258.325 1.527 20 30 CDEDLO CC[N@H+]1CCCC[C@@H]1C(=O)[C@H](C#N)c1ccncn1 ZINC000774414749 575203576 /nfs/dbraw/zinc/20/35/76/575203576.db2.gz JQDMWPICGNOLID-DGCLKSJQSA-N 1 2 258.325 1.527 20 30 CDEDLO N#CCCN1CC[NH+](C[C@@H](O)c2cccc(F)c2)CC1 ZINC000760943340 576527656 /nfs/dbraw/zinc/52/76/56/576527656.db2.gz KOFBWNKWQQAROH-OAHLLOKOSA-N 1 2 277.343 1.390 20 30 CDEDLO C=CCN(CC=C)C(=O)COC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000741149665 576540322 /nfs/dbraw/zinc/54/03/22/576540322.db2.gz SOIJMBYXYVQAES-AWEZNQCLSA-N 1 2 294.395 1.605 20 30 CDEDLO C=CCN(CC=C)C(=O)COC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000741149665 576540323 /nfs/dbraw/zinc/54/03/23/576540323.db2.gz SOIJMBYXYVQAES-AWEZNQCLSA-N 1 2 294.395 1.605 20 30 CDEDLO C#CCOCCc1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000762404946 576643271 /nfs/dbraw/zinc/64/32/71/576643271.db2.gz VIQGFRBGTUEABU-CHWSQXEVSA-N 1 2 291.351 1.188 20 30 CDEDLO C#CCOCCc1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000762404946 576643272 /nfs/dbraw/zinc/64/32/72/576643272.db2.gz VIQGFRBGTUEABU-CHWSQXEVSA-N 1 2 291.351 1.188 20 30 CDEDLO Oc1ccccc1/C=[NH+]/Cc1nnnn1CC1CC1 ZINC000769718861 575377961 /nfs/dbraw/zinc/37/79/61/575377961.db2.gz VBSPMTAWWVZPEU-VGOFMYFVSA-N 1 2 257.297 1.408 20 30 CDEDLO C#Cc1ccc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000767533444 576202179 /nfs/dbraw/zinc/20/21/79/576202179.db2.gz FXRXEXYOHHUAQK-GASCZTMLSA-N 1 2 286.331 1.083 20 30 CDEDLO C#Cc1ccc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000767533444 576202182 /nfs/dbraw/zinc/20/21/82/576202182.db2.gz FXRXEXYOHHUAQK-GASCZTMLSA-N 1 2 286.331 1.083 20 30 CDEDLO CC(C)C[N@H+](CCC#N)CC(=O)N(C)Cc1cnn(C)c1 ZINC000739914676 576397747 /nfs/dbraw/zinc/39/77/47/576397747.db2.gz NDBHMZMRHIWGGA-UHFFFAOYSA-N 1 2 291.399 1.250 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)CC(=O)N(C)Cc1cnn(C)c1 ZINC000739914676 576397748 /nfs/dbraw/zinc/39/77/48/576397748.db2.gz NDBHMZMRHIWGGA-UHFFFAOYSA-N 1 2 291.399 1.250 20 30 CDEDLO C=CCC[C@@H](O)C[NH2+][C@H](C(=O)OCC)C(C)(C)C ZINC000760917285 576525050 /nfs/dbraw/zinc/52/50/50/576525050.db2.gz USVMDIIKXKHYRP-VXGBXAGGSA-N 1 2 257.374 1.881 20 30 CDEDLO CCN(C)c1ccc(C=[NH+]Nc2cnn(C)c2)cn1 ZINC000761865659 576599938 /nfs/dbraw/zinc/59/99/38/576599938.db2.gz BOHCXOZLYXCPGZ-UHFFFAOYSA-N 1 2 258.329 1.717 20 30 CDEDLO CN(C)c1ncc(C=[NH+]Nc2cnn(C)c2)s1 ZINC000761882032 576602783 /nfs/dbraw/zinc/60/27/83/576602783.db2.gz WYBNWPCBLMABPP-UHFFFAOYSA-N 1 2 250.331 1.389 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745082742 576714239 /nfs/dbraw/zinc/71/42/39/576714239.db2.gz QVTRBNIBLOIKIC-KGLIPLIRSA-N 1 2 296.411 1.827 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745082742 576714241 /nfs/dbraw/zinc/71/42/41/576714241.db2.gz QVTRBNIBLOIKIC-KGLIPLIRSA-N 1 2 296.411 1.827 20 30 CDEDLO CC#CCOC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000745102916 576716237 /nfs/dbraw/zinc/71/62/37/576716237.db2.gz UPQYZLVMBJVUJP-MRXNPFEDSA-N 1 2 287.359 1.844 20 30 CDEDLO CC#CCOC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000745102916 576716239 /nfs/dbraw/zinc/71/62/39/576716239.db2.gz UPQYZLVMBJVUJP-MRXNPFEDSA-N 1 2 287.359 1.844 20 30 CDEDLO COc1nccnc1N=NCc1c[nH+]c2ccc(C)cn12 ZINC000763408774 576735031 /nfs/dbraw/zinc/73/50/31/576735031.db2.gz RMKKIJHDGYANBC-UHFFFAOYSA-N 1 2 282.307 1.887 20 30 CDEDLO C[S@](=O)CC[NH+]1CCN(Cc2cccc(C#N)c2)CC1 ZINC000746470232 576777896 /nfs/dbraw/zinc/77/78/96/576777896.db2.gz RCSXISJSGRCUBK-FQEVSTJZSA-N 1 2 291.420 1.054 20 30 CDEDLO C#CCNC(=O)C[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000746870969 576849963 /nfs/dbraw/zinc/84/99/63/576849963.db2.gz ANDNDNHKPAZWMJ-CQSZACIVSA-N 1 2 285.372 1.572 20 30 CDEDLO C#CCNC(=O)C[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000754301203 576891412 /nfs/dbraw/zinc/89/14/12/576891412.db2.gz HIDULMCUOWIDPT-ZDUSSCGKSA-N 1 2 278.352 1.332 20 30 CDEDLO Cc1ccc2[nH+]cc(CN=Nc3cnccn3)n2c1 ZINC000755634577 576953030 /nfs/dbraw/zinc/95/30/30/576953030.db2.gz MFXUUMURHONLAJ-UHFFFAOYSA-N 1 2 252.281 1.879 20 30 CDEDLO Cc1[nH]c[nH+]c1C=NNC(=S)NCCc1ccccn1 ZINC000755679059 576955108 /nfs/dbraw/zinc/95/51/08/576955108.db2.gz NTCBGRPKGVLGAT-UHFFFAOYSA-N 1 2 288.380 1.154 20 30 CDEDLO Cc1cc(N[NH+]=Cc2cnc(N(C)C)s2)ncn1 ZINC000755726684 576957852 /nfs/dbraw/zinc/95/78/52/576957852.db2.gz GLDYLVNPINXQJD-UHFFFAOYSA-N 1 2 262.342 1.754 20 30 CDEDLO CCCCNC(=O)[C@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000749787540 576962249 /nfs/dbraw/zinc/96/22/49/576962249.db2.gz QQOJWDUIHAOJAH-JTQLQIEISA-N 1 2 281.331 1.767 20 30 CDEDLO CCOc1ccc(/C=N/CC[N@@H+]2CCO[C@H](C)C2)c(O)c1 ZINC000750950353 577018494 /nfs/dbraw/zinc/01/84/94/577018494.db2.gz SXWLPEWUQZMVIE-VVBXCHJUSA-N 1 2 292.379 1.931 20 30 CDEDLO CCOc1ccc(/C=N/CC[N@H+]2CCO[C@H](C)C2)c(O)c1 ZINC000750950353 577018496 /nfs/dbraw/zinc/01/84/96/577018496.db2.gz SXWLPEWUQZMVIE-VVBXCHJUSA-N 1 2 292.379 1.931 20 30 CDEDLO Cc1c(C=[NH+]NC2CC2)c(=O)n(-c2ccccc2)n1C ZINC000758134127 577074018 /nfs/dbraw/zinc/07/40/18/577074018.db2.gz WPIQMRUYXTVFSX-UHFFFAOYSA-N 1 2 270.336 1.570 20 30 CDEDLO C[C@H]1COc2ccccc2C[N@@H+]1Cn1cccc(C#N)c1=O ZINC000758250669 577091420 /nfs/dbraw/zinc/09/14/20/577091420.db2.gz UYMWCRDXVYOVOM-ZDUSSCGKSA-N 1 2 295.342 1.961 20 30 CDEDLO C[C@H]1COc2ccccc2C[N@H+]1Cn1cccc(C#N)c1=O ZINC000758250669 577091422 /nfs/dbraw/zinc/09/14/22/577091422.db2.gz UYMWCRDXVYOVOM-ZDUSSCGKSA-N 1 2 295.342 1.961 20 30 CDEDLO C#C[C@@H](CC)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000753176643 577151346 /nfs/dbraw/zinc/15/13/46/577151346.db2.gz JALRRSBNMWVPSE-STQMWFEESA-N 1 2 272.352 1.371 20 30 CDEDLO C=C(Br)C[NH2+]Cc1ccc(-c2nn[nH]n2)o1 ZINC000819718715 599427694 /nfs/dbraw/zinc/42/76/94/599427694.db2.gz OHXLDMVGFSXGSD-UHFFFAOYSA-N 1 2 284.117 1.458 20 30 CDEDLO COc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1-c1nn[nH]n1 ZINC000826192405 607515439 /nfs/dbraw/zinc/51/54/39/607515439.db2.gz MDKUSNBHKUYCDH-JTQLQIEISA-N 1 2 286.339 1.609 20 30 CDEDLO COc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1-c1nn[nH]n1 ZINC000826192405 607515441 /nfs/dbraw/zinc/51/54/41/607515441.db2.gz MDKUSNBHKUYCDH-JTQLQIEISA-N 1 2 286.339 1.609 20 30 CDEDLO C[N@H+](Cc1ccc(-c2nn[nH]n2)o1)Cc1cccc(C#N)c1 ZINC000825976451 608521914 /nfs/dbraw/zinc/52/19/14/608521914.db2.gz JVQVTQLYLPHSIA-UHFFFAOYSA-N 1 2 294.318 1.963 20 30 CDEDLO C[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)Cc1cccc(C#N)c1 ZINC000825976451 608521916 /nfs/dbraw/zinc/52/19/16/608521916.db2.gz JVQVTQLYLPHSIA-UHFFFAOYSA-N 1 2 294.318 1.963 20 30 CDEDLO C#CCC[NH+]1CC([C@H](C)NC(=O)c2n[nH]c3ccccc32)C1 ZINC000970832375 612998428 /nfs/dbraw/zinc/99/84/28/612998428.db2.gz HGSCYTDBOHATRN-LBPRGKRZSA-N 1 2 296.374 1.636 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2nccc(C)n2)C1 ZINC000949991038 613298033 /nfs/dbraw/zinc/29/80/33/613298033.db2.gz KNIYRFYRJVZTDL-UHFFFAOYSA-N 1 2 274.368 1.507 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](CC)O2)CC1 ZINC000948604246 613318351 /nfs/dbraw/zinc/31/83/51/613318351.db2.gz TVVSNJSPQCMMPK-KBPBESRZSA-N 1 2 266.385 1.664 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc3ncccn3n2)CC1 ZINC000952360292 613320549 /nfs/dbraw/zinc/32/05/49/613320549.db2.gz QEVYLNYZVBRNLO-UHFFFAOYSA-N 1 2 285.351 1.063 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnn(CC3CC3)c2)CC1 ZINC000957103142 613321846 /nfs/dbraw/zinc/32/18/46/613321846.db2.gz UYJDDCXBHMKEMB-UHFFFAOYSA-N 1 2 288.395 1.627 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ncc3n2CCCC3)CC1 ZINC000957700888 613322222 /nfs/dbraw/zinc/32/22/22/613322222.db2.gz GQOPOMFICIUEEL-UHFFFAOYSA-N 1 2 288.395 1.553 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc[nH]c(=O)c2)C1 ZINC000969475588 613371703 /nfs/dbraw/zinc/37/17/03/613371703.db2.gz GWLVKWTXYBHGIG-SNVBAGLBSA-N 1 2 295.770 1.590 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(C)no2)C1 ZINC000969270366 613372394 /nfs/dbraw/zinc/37/23/94/613372394.db2.gz VJIAWFUOKHESNG-JTQLQIEISA-N 1 2 283.759 1.786 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2C)CC1 ZINC000980656970 613373547 /nfs/dbraw/zinc/37/35/47/613373547.db2.gz OCHUYJUNBBQQIA-CMPLNLGQSA-N 1 2 256.777 1.929 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2C)CC1 ZINC000980656970 613373548 /nfs/dbraw/zinc/37/35/48/613373548.db2.gz OCHUYJUNBBQQIA-CMPLNLGQSA-N 1 2 256.777 1.929 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CCO[C@H]2C)CC1 ZINC000982795940 613373929 /nfs/dbraw/zinc/37/39/29/613373929.db2.gz PWJOTCXIVUNBMR-STQMWFEESA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CCO[C@H]2C)CC1 ZINC000982795940 613373930 /nfs/dbraw/zinc/37/39/30/613373930.db2.gz PWJOTCXIVUNBMR-STQMWFEESA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC000965375849 613377788 /nfs/dbraw/zinc/37/77/88/613377788.db2.gz WYJGBPVFSNMNLJ-TVQRCGJNSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC000965375849 613377789 /nfs/dbraw/zinc/37/77/89/613377789.db2.gz WYJGBPVFSNMNLJ-TVQRCGJNSA-N 1 2 296.802 1.911 20 30 CDEDLO C=CCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000948867561 613506809 /nfs/dbraw/zinc/50/68/09/613506809.db2.gz OQSGZDSBGNULTJ-CHWSQXEVSA-N 1 2 274.368 1.234 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H]2CCC(F)(F)C2)CC1 ZINC000948682825 613563040 /nfs/dbraw/zinc/56/30/40/613563040.db2.gz HIAXSQTVDIZPJC-CYBMUJFWSA-N 1 2 284.350 1.979 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2ccc3c(c2)CCO3)CC1 ZINC000949551569 613563156 /nfs/dbraw/zinc/56/31/56/613563156.db2.gz VQWZZAAJZYKOMB-UHFFFAOYSA-N 1 2 298.386 1.332 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC3(C)CC3)C2)C1 ZINC000972469972 613569963 /nfs/dbraw/zinc/56/99/63/613569963.db2.gz QGCRKEBCIKYQKZ-KRWDZBQOSA-N 1 2 290.407 1.503 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC3(C)CC3)C2)C1 ZINC000972469972 613569964 /nfs/dbraw/zinc/56/99/64/613569964.db2.gz QGCRKEBCIKYQKZ-KRWDZBQOSA-N 1 2 290.407 1.503 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C=C(C)C)C2)C1 ZINC000972239747 613570420 /nfs/dbraw/zinc/57/04/20/613570420.db2.gz OJGFZMHZKXZVDA-INIZCTEOSA-N 1 2 276.380 1.279 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C=C(C)C)C2)C1 ZINC000972239747 613570423 /nfs/dbraw/zinc/57/04/23/613570423.db2.gz OJGFZMHZKXZVDA-INIZCTEOSA-N 1 2 276.380 1.279 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C=C3CCC3)C2)C1 ZINC000972335589 613570519 /nfs/dbraw/zinc/57/05/19/613570519.db2.gz KMISGOUVYYYXGE-KRWDZBQOSA-N 1 2 288.391 1.423 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C=C3CCC3)C2)C1 ZINC000972335589 613570520 /nfs/dbraw/zinc/57/05/20/613570520.db2.gz KMISGOUVYYYXGE-KRWDZBQOSA-N 1 2 288.391 1.423 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)/C=C\C3CC3)C2)C1 ZINC000972314380 613570732 /nfs/dbraw/zinc/57/07/32/613570732.db2.gz CSLJWRNMLMLNMG-JTGQJZMRSA-N 1 2 288.391 1.279 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)/C=C\C3CC3)C2)C1 ZINC000972314380 613570733 /nfs/dbraw/zinc/57/07/33/613570733.db2.gz CSLJWRNMLMLNMG-JTGQJZMRSA-N 1 2 288.391 1.279 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(C)CCC3)C2)C1 ZINC000972501932 613570802 /nfs/dbraw/zinc/57/08/02/613570802.db2.gz JHYDOPVNVFZVRP-QGZVFWFLSA-N 1 2 290.407 1.503 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(C)CCC3)C2)C1 ZINC000972501932 613570805 /nfs/dbraw/zinc/57/08/05/613570805.db2.gz JHYDOPVNVFZVRP-QGZVFWFLSA-N 1 2 290.407 1.503 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)NCC#C[C@@H]3CCCCO3)ccn12 ZINC000891112995 617364605 /nfs/dbraw/zinc/36/46/05/617364605.db2.gz RGVAQCQQJXOCCF-HNNXBMFYSA-N 1 2 297.358 1.945 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2(c3cccnc3)CC2)CC1 ZINC000949807099 613706739 /nfs/dbraw/zinc/70/67/39/613706739.db2.gz IFXHOCUJWAJCIS-UHFFFAOYSA-N 1 2 271.364 1.443 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2C(=O)Nc3ccccc32)CC1 ZINC000957888457 613708810 /nfs/dbraw/zinc/70/88/10/613708810.db2.gz UYNJPRVPBCTRSR-AWEZNQCLSA-N 1 2 299.374 1.443 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](OC)c2ccc(F)cc2)CC1 ZINC000957861576 613710484 /nfs/dbraw/zinc/71/04/84/613710484.db2.gz QGDVWYZIRNBPBB-HNNXBMFYSA-N 1 2 292.354 1.843 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCOc3ccccc32)CC1 ZINC000951773744 613711322 /nfs/dbraw/zinc/71/13/22/613711322.db2.gz TYPHCBUPZALLOS-OAHLLOKOSA-N 1 2 286.375 1.883 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2Cc3ccncc3C2)CC1 ZINC000950518797 613711938 /nfs/dbraw/zinc/71/19/38/613711938.db2.gz OWJKBZNLUPMRSM-CQSZACIVSA-N 1 2 271.364 1.127 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)Cc2c(C)n[nH]c2C)CC1 ZINC000957704619 613712165 /nfs/dbraw/zinc/71/21/65/613712165.db2.gz SURGKFDXOHOWJJ-GFCCVEGCSA-N 1 2 290.411 1.535 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c3ccccc3nn2C)CC1 ZINC000957065418 613714544 /nfs/dbraw/zinc/71/45/44/613714544.db2.gz PDFILIFSWFBCSF-UHFFFAOYSA-N 1 2 284.363 1.517 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc3c([nH]2)CCCC3)CC1 ZINC000957085388 613714925 /nfs/dbraw/zinc/71/49/25/613714925.db2.gz YPKOLASBUDMHSL-UHFFFAOYSA-N 1 2 273.380 1.837 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)nnc2CC)CC1 ZINC000948935635 613715204 /nfs/dbraw/zinc/71/52/04/613715204.db2.gz QQAUIWOCHMOVCU-UHFFFAOYSA-N 1 2 274.368 1.291 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc3oc(=O)[nH]c32)CC1 ZINC000949323597 613716896 /nfs/dbraw/zinc/71/68/96/613716896.db2.gz MCEVMSHWCJEAET-UHFFFAOYSA-N 1 2 287.319 1.477 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(C)CCC3)C2)C1 ZINC000972504423 613722976 /nfs/dbraw/zinc/72/29/76/613722976.db2.gz OBBPOTQUIHFWDN-INIZCTEOSA-N 1 2 278.396 1.666 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(C)CCC3)C2)C1 ZINC000972504423 613722977 /nfs/dbraw/zinc/72/29/77/613722977.db2.gz OBBPOTQUIHFWDN-INIZCTEOSA-N 1 2 278.396 1.666 20 30 CDEDLO C=CC[C@@H](CO)Nc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000893162555 617423126 /nfs/dbraw/zinc/42/31/26/617423126.db2.gz NFJCJJOQKOHXRE-MNOVXSKESA-N 1 2 266.345 1.008 20 30 CDEDLO C=CC[C@@H](CO)Nc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000893162555 617423131 /nfs/dbraw/zinc/42/31/31/617423131.db2.gz NFJCJJOQKOHXRE-MNOVXSKESA-N 1 2 266.345 1.008 20 30 CDEDLO COC1CCC(C[N@@H+]2CCN(C3CC3)[C@@H](C#N)C2)CC1 ZINC000892038436 617433717 /nfs/dbraw/zinc/43/37/17/617433717.db2.gz DFIPVPGBCWNRSG-SIWZUTFBSA-N 1 2 277.412 1.864 20 30 CDEDLO COC1CCC(C[N@H+]2CCN(C3CC3)[C@@H](C#N)C2)CC1 ZINC000892038436 617433721 /nfs/dbraw/zinc/43/37/21/617433721.db2.gz DFIPVPGBCWNRSG-SIWZUTFBSA-N 1 2 277.412 1.864 20 30 CDEDLO C[C@H](O)CN(C)N=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000841652019 617496798 /nfs/dbraw/zinc/49/67/98/617496798.db2.gz CFRZXNPQGGVEJT-LBPRGKRZSA-N 1 2 258.325 1.519 20 30 CDEDLO C[N@H+](Cc1ccon1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971371448 616088306 /nfs/dbraw/zinc/08/83/06/616088306.db2.gz KGCATYAWNBVSFO-CQSZACIVSA-N 1 2 299.334 1.221 20 30 CDEDLO C[N@@H+](Cc1ccon1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971371448 616088308 /nfs/dbraw/zinc/08/83/08/616088308.db2.gz KGCATYAWNBVSFO-CQSZACIVSA-N 1 2 299.334 1.221 20 30 CDEDLO C=CCN1CC[C@@H](N(C)c2cc(CC)[nH+]c(CC)n2)C1=O ZINC000893668505 617817858 /nfs/dbraw/zinc/81/78/58/617817858.db2.gz MCCIRAUVDQUDMT-CYBMUJFWSA-N 1 2 288.395 1.825 20 30 CDEDLO COC(=O)COc1ccccc1C[NH2+]C[C@H](C)C#N ZINC000893544923 618089540 /nfs/dbraw/zinc/08/95/40/618089540.db2.gz PIXXGGZBJZNZCR-LLVKDONJSA-N 1 2 262.309 1.488 20 30 CDEDLO N#C[C@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000928219314 618574052 /nfs/dbraw/zinc/57/40/52/618574052.db2.gz UFGDPKNZYGTVRK-UKRRQHHQSA-N 1 2 291.395 1.392 20 30 CDEDLO N#C[C@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000928219314 618574057 /nfs/dbraw/zinc/57/40/57/618574057.db2.gz UFGDPKNZYGTVRK-UKRRQHHQSA-N 1 2 291.395 1.392 20 30 CDEDLO N#C[C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000928219312 618574605 /nfs/dbraw/zinc/57/46/05/618574605.db2.gz UFGDPKNZYGTVRK-DZGCQCFKSA-N 1 2 291.395 1.392 20 30 CDEDLO N#C[C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000928219312 618574617 /nfs/dbraw/zinc/57/46/17/618574617.db2.gz UFGDPKNZYGTVRK-DZGCQCFKSA-N 1 2 291.395 1.392 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2ccncc2Cl)CCCN1O ZINC000895158388 619375324 /nfs/dbraw/zinc/37/53/24/619375324.db2.gz ZNDYDHDIPFBBAS-SNVBAGLBSA-N 1 2 255.705 1.205 20 30 CDEDLO C=C[C@H](CC)CC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000909526487 619772464 /nfs/dbraw/zinc/77/24/64/619772464.db2.gz YIULMZQGXHWKJX-QWHCGFSZSA-N 1 2 255.358 1.853 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N[C@@H](CC)C[NH+]1CCOCC1)OCC ZINC000928643673 620299642 /nfs/dbraw/zinc/29/96/42/620299642.db2.gz UOKJFEISCZZCAX-LSDHHAIUSA-N 1 2 298.427 1.585 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000898097870 621333471 /nfs/dbraw/zinc/33/34/71/621333471.db2.gz RDRQIBIFXUNQAG-AWEZNQCLSA-N 1 2 265.316 1.609 20 30 CDEDLO Cc1[nH]c(CNC(=O)c2cccc(C#CCO)c2)[nH+]c1C ZINC000901000635 623816304 /nfs/dbraw/zinc/81/63/04/623816304.db2.gz NWIHQNQWVLDGOP-UHFFFAOYSA-N 1 2 283.331 1.300 20 30 CDEDLO CC(C)n1c[nH+]cc1/C=C1/C(=O)c2ncnn2[C@@H]1C ZINC000905086092 626602972 /nfs/dbraw/zinc/60/29/72/626602972.db2.gz RAJROVIJKHMENH-VMDVGJCFSA-N 1 2 257.297 1.896 20 30 CDEDLO C#CCC[C@H](O)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907978916 627946862 /nfs/dbraw/zinc/94/68/62/627946862.db2.gz WAFJZLBFBRYZEW-ZDUSSCGKSA-N 1 2 260.337 1.511 20 30 CDEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000908652615 628316600 /nfs/dbraw/zinc/31/66/00/628316600.db2.gz POOKRBJPHXGZEP-UKRRQHHQSA-N 1 2 294.395 1.233 20 30 CDEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000908652615 628316605 /nfs/dbraw/zinc/31/66/05/628316605.db2.gz POOKRBJPHXGZEP-UKRRQHHQSA-N 1 2 294.395 1.233 20 30 CDEDLO C=C(C)CCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000908929350 628434723 /nfs/dbraw/zinc/43/47/23/628434723.db2.gz LWCQZLLMQCAKIH-UHFFFAOYSA-N 1 2 291.395 1.516 20 30 CDEDLO C#CC[C@H](CCOC)NC(=O)CNc1cccc[nH+]1 ZINC000913347930 630450989 /nfs/dbraw/zinc/45/09/89/630450989.db2.gz AZLGHDCTOSZOSP-GFCCVEGCSA-N 1 2 261.325 1.038 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000840754204 631856816 /nfs/dbraw/zinc/85/68/16/631856816.db2.gz HRPQKLVCNGAJFE-SNVBAGLBSA-N 1 2 297.286 1.319 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000840754204 631856820 /nfs/dbraw/zinc/85/68/20/631856820.db2.gz HRPQKLVCNGAJFE-SNVBAGLBSA-N 1 2 297.286 1.319 20 30 CDEDLO COc1cccc(O)c1/C=N\[C@@H](C)C[NH+]1CCOCC1 ZINC000915979452 631879528 /nfs/dbraw/zinc/87/95/28/631879528.db2.gz PWMOCLSMTMFOAG-KPENOIPVSA-N 1 2 278.352 1.540 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2c(C)n[nH]c2C)C1 ZINC001044286647 684314127 /nfs/dbraw/zinc/31/41/27/684314127.db2.gz CYVPBQPANMOAEU-UHFFFAOYSA-N 1 2 276.384 1.288 20 30 CDEDLO C=C(C)CC[NH+]1CC(N(C)C(=O)c2ccns2)C1 ZINC001042824707 684500969 /nfs/dbraw/zinc/50/09/69/684500969.db2.gz BBFHPMQZZSOTKB-UHFFFAOYSA-N 1 2 265.382 1.866 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccccc2OC)C1 ZINC001031295621 685269287 /nfs/dbraw/zinc/26/92/87/685269287.db2.gz PQKJCCPTGBONSB-UHFFFAOYSA-N 1 2 260.337 1.685 20 30 CDEDLO CC#CC[N@@H+]1CCCC[C@@H](NC(=O)c2cnns2)C1 ZINC001034114174 685290972 /nfs/dbraw/zinc/29/09/72/685290972.db2.gz OFKKKMXFWXUZFG-LLVKDONJSA-N 1 2 278.381 1.146 20 30 CDEDLO CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2cnns2)C1 ZINC001034114174 685290977 /nfs/dbraw/zinc/29/09/77/685290977.db2.gz OFKKKMXFWXUZFG-LLVKDONJSA-N 1 2 278.381 1.146 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001015725369 685302343 /nfs/dbraw/zinc/30/23/43/685302343.db2.gz VZLCFJPARFVNLO-IJLUTSLNSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001015725369 685302351 /nfs/dbraw/zinc/30/23/51/685302351.db2.gz VZLCFJPARFVNLO-IJLUTSLNSA-N 1 2 256.777 1.976 20 30 CDEDLO C#C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCCO1 ZINC000935460039 685316565 /nfs/dbraw/zinc/31/65/65/685316565.db2.gz UIRRTOAMYMGDNN-SMDDNHRTSA-N 1 2 269.304 1.474 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(C)=O)C[C@H](C)O2 ZINC001071107873 685349229 /nfs/dbraw/zinc/34/92/29/685349229.db2.gz QZWSSUSRXLSJLW-WCQYABFASA-N 1 2 272.776 1.451 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(C)=O)C[C@H](C)O2 ZINC001071107873 685349231 /nfs/dbraw/zinc/34/92/31/685349231.db2.gz QZWSSUSRXLSJLW-WCQYABFASA-N 1 2 272.776 1.451 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ncc[nH]2)[C@H]1C ZINC000993342360 685365130 /nfs/dbraw/zinc/36/51/30/685365130.db2.gz IGARRARJIMIVEB-GHMZBOCLSA-N 1 2 282.775 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ncc[nH]2)[C@H]1C ZINC000993342360 685365139 /nfs/dbraw/zinc/36/51/39/685365139.db2.gz IGARRARJIMIVEB-GHMZBOCLSA-N 1 2 282.775 1.745 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1scnc1C ZINC001032293356 685386579 /nfs/dbraw/zinc/38/65/79/685386579.db2.gz CCPYBUZXBUOOSH-QWRGUYRKSA-N 1 2 263.366 1.536 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1scnc1C ZINC001032293356 685386586 /nfs/dbraw/zinc/38/65/86/685386586.db2.gz CCPYBUZXBUOOSH-QWRGUYRKSA-N 1 2 263.366 1.536 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1c(C)ncn1C ZINC001027952553 685404194 /nfs/dbraw/zinc/40/41/94/685404194.db2.gz RLBSBFUNRHDJBB-LBPRGKRZSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)ncn1C ZINC001027952553 685404208 /nfs/dbraw/zinc/40/42/08/685404208.db2.gz RLBSBFUNRHDJBB-LBPRGKRZSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C(F)F)C[C@@H]21 ZINC001041877275 685426555 /nfs/dbraw/zinc/42/65/55/685426555.db2.gz AZMXNURKSNQPII-ZJUUUORDSA-N 1 2 278.730 1.927 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(F)F)C[C@@H]21 ZINC001041877275 685426567 /nfs/dbraw/zinc/42/65/67/685426567.db2.gz AZMXNURKSNQPII-ZJUUUORDSA-N 1 2 278.730 1.927 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2scnc2CC)[C@@H]1C ZINC000993404735 685449918 /nfs/dbraw/zinc/44/99/18/685449918.db2.gz YYQMDHRGPSVFPU-WCQYABFASA-N 1 2 291.420 1.921 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2scnc2CC)[C@@H]1C ZINC000993404735 685449924 /nfs/dbraw/zinc/44/99/24/685449924.db2.gz YYQMDHRGPSVFPU-WCQYABFASA-N 1 2 291.420 1.921 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2n1CCCC2 ZINC001038635029 685470914 /nfs/dbraw/zinc/47/09/14/685470914.db2.gz OGPCDJMSBLEBMJ-ZDUSSCGKSA-N 1 2 286.379 1.047 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2n1CCCC2 ZINC001038635029 685470918 /nfs/dbraw/zinc/47/09/18/685470918.db2.gz OGPCDJMSBLEBMJ-ZDUSSCGKSA-N 1 2 286.379 1.047 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC001039005506 685558062 /nfs/dbraw/zinc/55/80/62/685558062.db2.gz MJKQMADHWLKQIZ-AWEZNQCLSA-N 1 2 281.359 1.995 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC001039005506 685558077 /nfs/dbraw/zinc/55/80/77/685558077.db2.gz MJKQMADHWLKQIZ-AWEZNQCLSA-N 1 2 281.359 1.995 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2nncc3ccccc32)C1 ZINC001030659775 685563450 /nfs/dbraw/zinc/56/34/50/685563450.db2.gz JWTSOGIYLLIQKJ-UHFFFAOYSA-N 1 2 282.347 1.620 20 30 CDEDLO CC(C)(C)S(=O)(=O)CC[NH2+]C[C@H](C#N)CCC#N ZINC000819060286 684322055 /nfs/dbraw/zinc/32/20/55/684322055.db2.gz HMNPMPUTTSBUBP-NSHDSACASA-N 1 2 271.386 1.233 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2ncoc2C(C)C)CC1 ZINC000989425316 684323217 /nfs/dbraw/zinc/32/32/17/684323217.db2.gz WRUUSBQREZKXHT-UHFFFAOYSA-N 1 2 275.352 1.579 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2ncoc2C(C)C)CC1 ZINC000989425316 684323225 /nfs/dbraw/zinc/32/32/25/684323225.db2.gz WRUUSBQREZKXHT-UHFFFAOYSA-N 1 2 275.352 1.579 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@@H](C)C1 ZINC001018112093 684348846 /nfs/dbraw/zinc/34/88/46/684348846.db2.gz MWWHDNAGNWATFW-YHUYYLMFSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@@H](C)C1 ZINC001018112093 684348848 /nfs/dbraw/zinc/34/88/48/684348848.db2.gz MWWHDNAGNWATFW-YHUYYLMFSA-N 1 2 290.407 1.500 20 30 CDEDLO CC(C)(C#N)CC[N@H+](CCS(C)(=O)=O)C1CC1 ZINC000119851292 684349883 /nfs/dbraw/zinc/34/98/83/684349883.db2.gz VJRHEEDCSPYLAX-UHFFFAOYSA-N 1 2 258.387 1.435 20 30 CDEDLO CC(C)(C#N)CC[N@@H+](CCS(C)(=O)=O)C1CC1 ZINC000119851292 684349887 /nfs/dbraw/zinc/34/98/87/684349887.db2.gz VJRHEEDCSPYLAX-UHFFFAOYSA-N 1 2 258.387 1.435 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(N(C)C)c(F)c1 ZINC001039054741 684351408 /nfs/dbraw/zinc/35/14/08/684351408.db2.gz MBQREJKYHQVKJC-CYBMUJFWSA-N 1 2 289.354 1.329 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N(C)C)c(F)c1 ZINC001039054741 684351411 /nfs/dbraw/zinc/35/14/11/684351411.db2.gz MBQREJKYHQVKJC-CYBMUJFWSA-N 1 2 289.354 1.329 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2nnc(C)n2CCC)CC1 ZINC000886777081 684372491 /nfs/dbraw/zinc/37/24/91/684372491.db2.gz XUMPFRYOTSTEGW-UHFFFAOYSA-N 1 2 278.400 1.900 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CC(=C)C1 ZINC001017923036 684466145 /nfs/dbraw/zinc/46/61/45/684466145.db2.gz UCGOSEOKDKYFAO-OKILXGFUSA-N 1 2 258.365 1.651 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CC(=C)C1 ZINC001017923036 684466146 /nfs/dbraw/zinc/46/61/46/684466146.db2.gz UCGOSEOKDKYFAO-OKILXGFUSA-N 1 2 258.365 1.651 20 30 CDEDLO C=C(C)[C@@H](CC(=O)O[C@@H](C)C[NH+]1CCOCC1)OCC ZINC000784914283 684479592 /nfs/dbraw/zinc/47/95/92/684479592.db2.gz NCHMOGJISRUXBB-UONOGXRCSA-N 1 2 285.384 1.622 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(C)n(C(C)C)n1 ZINC000884348302 684480455 /nfs/dbraw/zinc/48/04/55/684480455.db2.gz UEGZLOXNBRBFMP-NSHDSACASA-N 1 2 294.355 1.158 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1[C@@H](C)CCC ZINC000884324799 684519519 /nfs/dbraw/zinc/51/95/19/684519519.db2.gz AEKPLOZOKPZYDJ-IHRRRGAJSA-N 1 2 296.411 1.860 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ncoc1[C@H]1CCCO1 ZINC001038598318 684541118 /nfs/dbraw/zinc/54/11/18/684541118.db2.gz UNRZPDHQFRAULJ-NWDGAFQWSA-N 1 2 291.351 1.516 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ncoc1[C@H]1CCCO1 ZINC001038598318 684541129 /nfs/dbraw/zinc/54/11/29/684541129.db2.gz UNRZPDHQFRAULJ-NWDGAFQWSA-N 1 2 291.351 1.516 20 30 CDEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2[C@@H](C)C(=O)NC)CC1 ZINC001038668535 684555188 /nfs/dbraw/zinc/55/51/88/684555188.db2.gz VBOILKOEQXOELG-GXTWGEPZSA-N 1 2 293.411 1.058 20 30 CDEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2[C@@H](C)C(=O)NC)CC1 ZINC001038668535 684555194 /nfs/dbraw/zinc/55/51/94/684555194.db2.gz VBOILKOEQXOELG-GXTWGEPZSA-N 1 2 293.411 1.058 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2c3ccccc3NC2=O)C1 ZINC001031474073 684579286 /nfs/dbraw/zinc/57/92/86/684579286.db2.gz WRLAHCZQEMARLO-AWEZNQCLSA-N 1 2 299.374 1.489 20 30 CDEDLO CN(C)c1[nH+]cc(/C=C2\S/C(=N/C3CC3)NC2=O)n1C ZINC000849250978 684591991 /nfs/dbraw/zinc/59/19/91/684591991.db2.gz BNEULSCDFIMJCP-POHAHGRESA-N 1 2 291.380 1.208 20 30 CDEDLO C=CCONC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000838709010 684596248 /nfs/dbraw/zinc/59/62/48/684596248.db2.gz MBHJTWHEWTUISW-LLVKDONJSA-N 1 2 262.313 1.077 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2cc(COC)on2)CC1 ZINC000717439264 684606029 /nfs/dbraw/zinc/60/60/29/684606029.db2.gz BBTLDMYXVOXLGU-UHFFFAOYSA-N 1 2 266.341 1.724 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccccn1 ZINC001017788184 684628684 /nfs/dbraw/zinc/62/86/84/684628684.db2.gz OZEHWKANOXMSLQ-IYBDPMFKSA-N 1 2 283.375 1.323 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccccn1 ZINC001017788184 684628689 /nfs/dbraw/zinc/62/86/89/684628689.db2.gz OZEHWKANOXMSLQ-IYBDPMFKSA-N 1 2 283.375 1.323 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ncoc1C ZINC001050835984 684633658 /nfs/dbraw/zinc/63/36/58/684633658.db2.gz KNLHETRGGUPKKF-CYBMUJFWSA-N 1 2 293.367 1.380 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ncoc1C ZINC001050835984 684633662 /nfs/dbraw/zinc/63/36/62/684633662.db2.gz KNLHETRGGUPKKF-CYBMUJFWSA-N 1 2 293.367 1.380 20 30 CDEDLO C[C@@H](CC(=O)N1C[C@H](NCC#N)C(C)(C)C1)n1cc[nH+]c1 ZINC000996362875 684648928 /nfs/dbraw/zinc/64/89/28/684648928.db2.gz IKJAYVISLZPTNI-STQMWFEESA-N 1 2 289.383 1.184 20 30 CDEDLO COc1ccccc1CO[NH+]=Cc1cnc(N)nc1 ZINC000799118672 684698011 /nfs/dbraw/zinc/69/80/11/684698011.db2.gz PTEGZOIUZVBJBU-UHFFFAOYSA-N 1 2 258.281 1.618 20 30 CDEDLO CCCn1cc(C[NH2+]Cc2ccc(C#N)cc2)nn1 ZINC000714457567 684699996 /nfs/dbraw/zinc/69/99/96/684699996.db2.gz PCIJROPKRMKEAY-UHFFFAOYSA-N 1 2 255.325 1.850 20 30 CDEDLO C=CC[C@H](CC)NC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000922336607 684702111 /nfs/dbraw/zinc/70/21/11/684702111.db2.gz ACFJUKBDCFCMSN-UONOGXRCSA-N 1 2 283.416 1.751 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(F)F)n(C)n1 ZINC001038517083 684721594 /nfs/dbraw/zinc/72/15/94/684721594.db2.gz VOQSTWJVAHSKAN-SNVBAGLBSA-N 1 2 296.321 1.185 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(F)F)n(C)n1 ZINC001038517083 684721598 /nfs/dbraw/zinc/72/15/98/684721598.db2.gz VOQSTWJVAHSKAN-SNVBAGLBSA-N 1 2 296.321 1.185 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(F)F)ncn1 ZINC001038402495 684742563 /nfs/dbraw/zinc/74/25/63/684742563.db2.gz ZXLODAFYUWKFPA-JTQLQIEISA-N 1 2 294.305 1.242 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(F)F)ncn1 ZINC001038402495 684742570 /nfs/dbraw/zinc/74/25/70/684742570.db2.gz ZXLODAFYUWKFPA-JTQLQIEISA-N 1 2 294.305 1.242 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1nccnc1N ZINC001027800638 684749751 /nfs/dbraw/zinc/74/97/51/684749751.db2.gz XYSSMZIHIBYYJO-JTQLQIEISA-N 1 2 295.774 1.006 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1nccnc1N ZINC001027800638 684749747 /nfs/dbraw/zinc/74/97/47/684749747.db2.gz XYSSMZIHIBYYJO-JTQLQIEISA-N 1 2 295.774 1.006 20 30 CDEDLO C[C@@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CN1CC#N ZINC001071611134 684779388 /nfs/dbraw/zinc/77/93/88/684779388.db2.gz ZPGVOXJJEPBROC-YPMHNXCESA-N 1 2 297.362 1.669 20 30 CDEDLO C=CC[N@@H+](C)CN1C(=O)[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000840050019 684838148 /nfs/dbraw/zinc/83/81/48/684838148.db2.gz WNSBTUOSMLOCQR-TZMCWYRMSA-N 1 2 250.342 1.232 20 30 CDEDLO C=CC[N@H+](C)CN1C(=O)[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000840050019 684838150 /nfs/dbraw/zinc/83/81/50/684838150.db2.gz WNSBTUOSMLOCQR-TZMCWYRMSA-N 1 2 250.342 1.232 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1OC ZINC001032751066 684840322 /nfs/dbraw/zinc/84/03/22/684840322.db2.gz JIWZSACPODIVCK-STQMWFEESA-N 1 2 285.347 1.012 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1OC ZINC001032751066 684840324 /nfs/dbraw/zinc/84/03/24/684840324.db2.gz JIWZSACPODIVCK-STQMWFEESA-N 1 2 285.347 1.012 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3csnn3)cc2C1 ZINC001054276254 684858595 /nfs/dbraw/zinc/85/85/95/684858595.db2.gz RJCXOBRHRAMKMB-UHFFFAOYSA-N 1 2 298.371 1.417 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3csnn3)cc2C1 ZINC001054276254 684858597 /nfs/dbraw/zinc/85/85/97/684858597.db2.gz RJCXOBRHRAMKMB-UHFFFAOYSA-N 1 2 298.371 1.417 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](Nc2ccc(S(C)(=O)=O)cc2)C1 ZINC000884613915 684859164 /nfs/dbraw/zinc/85/91/64/684859164.db2.gz YPUSZSUSEODUSD-CQSZACIVSA-N 1 2 292.404 1.600 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](Nc2ccc(S(C)(=O)=O)cc2)C1 ZINC000884613915 684859165 /nfs/dbraw/zinc/85/91/65/684859165.db2.gz YPUSZSUSEODUSD-CQSZACIVSA-N 1 2 292.404 1.600 20 30 CDEDLO C=CCN(CC(=O)OCC)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000816954953 684861403 /nfs/dbraw/zinc/86/14/03/684861403.db2.gz ORZSCUIGQDJRRK-GFCCVEGCSA-N 1 2 291.351 1.023 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C2=COCCC2)C1 ZINC001035306790 684876852 /nfs/dbraw/zinc/87/68/52/684876852.db2.gz BQJQJZMERREDBP-AWEZNQCLSA-N 1 2 280.368 1.074 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2=COCCC2)C1 ZINC001035306790 684876851 /nfs/dbraw/zinc/87/68/51/684876851.db2.gz BQJQJZMERREDBP-AWEZNQCLSA-N 1 2 280.368 1.074 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1C(C)C ZINC001039009650 684888983 /nfs/dbraw/zinc/88/89/83/684888983.db2.gz CKACBHBQWWRAKZ-ZDUSSCGKSA-N 1 2 288.395 1.371 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1C(C)C ZINC001039009650 684888985 /nfs/dbraw/zinc/88/89/85/684888985.db2.gz CKACBHBQWWRAKZ-ZDUSSCGKSA-N 1 2 288.395 1.371 20 30 CDEDLO C#C[C@H]([NH2+]Cc1c(C)nn(C)c1Cl)[C@H]1CCCO1 ZINC000775795158 684889053 /nfs/dbraw/zinc/88/90/53/684889053.db2.gz MOGVYTQCANTQTQ-NWDGAFQWSA-N 1 2 267.760 1.652 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1C=CC=CC=C1 ZINC001032427645 684893641 /nfs/dbraw/zinc/89/36/41/684893641.db2.gz GNZSIPJXLAXCKQ-GJZGRUSLSA-N 1 2 254.333 1.203 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1C=CC=CC=C1 ZINC001032427645 684893643 /nfs/dbraw/zinc/89/36/43/684893643.db2.gz GNZSIPJXLAXCKQ-GJZGRUSLSA-N 1 2 254.333 1.203 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2[nH]nnc2c1 ZINC001028310996 684899076 /nfs/dbraw/zinc/89/90/76/684899076.db2.gz CHICXVFPFFKZTL-LBPRGKRZSA-N 1 2 285.351 1.338 20 30 CDEDLO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2[nH]nnc2c1 ZINC001028310996 684899077 /nfs/dbraw/zinc/89/90/77/684899077.db2.gz CHICXVFPFFKZTL-LBPRGKRZSA-N 1 2 285.351 1.338 20 30 CDEDLO C=C[C@H](C)ONC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000845636923 684908570 /nfs/dbraw/zinc/90/85/70/684908570.db2.gz SXZSBNYRHVGWSC-NWDGAFQWSA-N 1 2 264.329 1.736 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2=COCCC2)C1 ZINC001031573551 684916086 /nfs/dbraw/zinc/91/60/86/684916086.db2.gz XKWYFUBCLSPSDG-UHFFFAOYSA-N 1 2 270.760 1.481 20 30 CDEDLO C=C(C)CNC(=S)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000795131746 684947706 /nfs/dbraw/zinc/94/77/06/684947706.db2.gz OWFXAZSVBAIBAB-CHWSQXEVSA-N 1 2 283.441 1.232 20 30 CDEDLO C[C@@H]1CC[N@H+](Cn2nc(CC#N)n(C)c2=S)C[C@@H]1C ZINC000794639857 684962505 /nfs/dbraw/zinc/96/25/05/684962505.db2.gz MMUALXGKOMZEPI-MNOVXSKESA-N 1 2 279.413 1.953 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cn2nc(CC#N)n(C)c2=S)C[C@@H]1C ZINC000794639857 684962506 /nfs/dbraw/zinc/96/25/06/684962506.db2.gz MMUALXGKOMZEPI-MNOVXSKESA-N 1 2 279.413 1.953 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)cc1C ZINC001017879927 684965617 /nfs/dbraw/zinc/96/56/17/684965617.db2.gz FISQFYGKHRVXDP-GASCZTMLSA-N 1 2 298.386 1.926 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)cc1C ZINC001017879927 684965630 /nfs/dbraw/zinc/96/56/30/684965630.db2.gz FISQFYGKHRVXDP-GASCZTMLSA-N 1 2 298.386 1.926 20 30 CDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC2(F)F)CC1 ZINC001004437108 684982973 /nfs/dbraw/zinc/98/29/73/684982973.db2.gz RPVHWNBVMICNLT-STQMWFEESA-N 1 2 297.349 1.868 20 30 CDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC2(F)F)CC1 ZINC001004437108 684982977 /nfs/dbraw/zinc/98/29/77/684982977.db2.gz RPVHWNBVMICNLT-STQMWFEESA-N 1 2 297.349 1.868 20 30 CDEDLO Cc1nc(N[C@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C)cc[nH+]1 ZINC001068840054 684983049 /nfs/dbraw/zinc/98/30/49/684983049.db2.gz YQTHUFWFTJVNJN-RISCZKNCSA-N 1 2 284.363 1.600 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCc2cc(C)nc(C)n2)cc1 ZINC000853654339 684997459 /nfs/dbraw/zinc/99/74/59/684997459.db2.gz GWLLCIPHUBBCFF-UHFFFAOYSA-N 1 2 286.335 1.939 20 30 CDEDLO C#CCSCC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000887892750 685009565 /nfs/dbraw/zinc/00/95/65/685009565.db2.gz IWYYFIMLGJLVND-UHFFFAOYSA-N 1 2 289.404 1.664 20 30 CDEDLO COC(=O)C1(C#N)CCN(c2cc[nH+]cc2F)CC1 ZINC000882420499 685014683 /nfs/dbraw/zinc/01/46/83/685014683.db2.gz JYWNPNAQUJEQHJ-UHFFFAOYSA-N 1 2 263.272 1.504 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nn(C)c(C)c1Cl ZINC001038759199 685023274 /nfs/dbraw/zinc/02/32/74/685023274.db2.gz XGFILXIKUAOHAF-LLVKDONJSA-N 1 2 294.786 1.209 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1nn(C)c(C)c1Cl ZINC001038759199 685023276 /nfs/dbraw/zinc/02/32/76/685023276.db2.gz XGFILXIKUAOHAF-LLVKDONJSA-N 1 2 294.786 1.209 20 30 CDEDLO C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C2=NC(=O)N(C)C2)C1 ZINC001000083013 685029702 /nfs/dbraw/zinc/02/97/02/685029702.db2.gz KEKRVZSMJABXJX-JTQLQIEISA-N 1 2 298.774 1.072 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001030490157 685032594 /nfs/dbraw/zinc/03/25/94/685032594.db2.gz OWVOBMHGZQSDKO-UHFFFAOYSA-N 1 2 288.351 1.050 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001007580170 685037838 /nfs/dbraw/zinc/03/78/38/685037838.db2.gz CLNSNHAYAHNCDP-JTQLQIEISA-N 1 2 296.758 1.129 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001007580170 685037841 /nfs/dbraw/zinc/03/78/41/685037841.db2.gz CLNSNHAYAHNCDP-JTQLQIEISA-N 1 2 296.758 1.129 20 30 CDEDLO Cc1nc(C#N)n(Cc2[nH+]ccn2CC(F)F)c1C ZINC000882239804 685054520 /nfs/dbraw/zinc/05/45/20/685054520.db2.gz JGINUJQRWZEJDT-UHFFFAOYSA-N 1 2 265.267 1.882 20 30 CDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)C(F)(F)F)C2)cc1 ZINC000877778006 685146676 /nfs/dbraw/zinc/14/66/76/685146676.db2.gz IWYGGDMZQACQPW-UHFFFAOYSA-N 1 2 297.280 1.669 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2[nH]nnc2C)CC[C@@H]1C ZINC001071731918 685155547 /nfs/dbraw/zinc/15/55/47/685155547.db2.gz MLMDGZAUZGLRQM-ONGXEEELSA-N 1 2 297.790 1.448 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2[nH]nnc2C)CC[C@@H]1C ZINC001071731918 685155555 /nfs/dbraw/zinc/15/55/55/685155555.db2.gz MLMDGZAUZGLRQM-ONGXEEELSA-N 1 2 297.790 1.448 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2CCCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001050053813 685172519 /nfs/dbraw/zinc/17/25/19/685172519.db2.gz WRBYYJRAMGZYGL-HBNTYKKESA-N 1 2 292.276 1.443 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001050053813 685172521 /nfs/dbraw/zinc/17/25/21/685172521.db2.gz WRBYYJRAMGZYGL-HBNTYKKESA-N 1 2 292.276 1.443 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)[C@H]1CCCC[C@@H]1C ZINC000884309638 685225234 /nfs/dbraw/zinc/22/52/34/685225234.db2.gz AJDYGOJXDZQSOS-IHRRRGAJSA-N 1 2 296.411 1.860 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2cnc(CC)s2)C1 ZINC001034053380 685711663 /nfs/dbraw/zinc/71/16/63/685711663.db2.gz RIJPDWNAEBBEHB-LBPRGKRZSA-N 1 2 291.420 1.875 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cnc(CC)s2)C1 ZINC001034053380 685711678 /nfs/dbraw/zinc/71/16/78/685711678.db2.gz RIJPDWNAEBBEHB-LBPRGKRZSA-N 1 2 291.420 1.875 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000854043585 685714939 /nfs/dbraw/zinc/71/49/39/685714939.db2.gz NJFYVRHYFUJPLE-TZMCWYRMSA-N 1 2 271.364 1.602 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000854043585 685714948 /nfs/dbraw/zinc/71/49/48/685714948.db2.gz NJFYVRHYFUJPLE-TZMCWYRMSA-N 1 2 271.364 1.602 20 30 CDEDLO C#CC[C@@H]([NH2+]CC1CCC2(CC1)OCCO2)C(=O)OC ZINC000839170162 685822497 /nfs/dbraw/zinc/82/24/97/685822497.db2.gz XCUKSKBYMCMBTN-CYBMUJFWSA-N 1 2 281.352 1.074 20 30 CDEDLO COCC(COC)[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000930137030 685838348 /nfs/dbraw/zinc/83/83/48/685838348.db2.gz ZNTJIJPOOUSPKL-INIZCTEOSA-N 1 2 290.363 1.593 20 30 CDEDLO COCC(COC)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000930137030 685838349 /nfs/dbraw/zinc/83/83/49/685838349.db2.gz ZNTJIJPOOUSPKL-INIZCTEOSA-N 1 2 290.363 1.593 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[C@@H]1C(C)C)CCO2 ZINC001053490142 685860927 /nfs/dbraw/zinc/86/09/27/685860927.db2.gz KUGRFOUEZOIMFE-CABCVRRESA-N 1 2 292.423 1.768 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1C(C)C ZINC001032423957 685865904 /nfs/dbraw/zinc/86/59/04/685865904.db2.gz LCUXZDZPARMVTQ-KBPBESRZSA-N 1 2 286.379 1.386 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1C(C)C ZINC001032423957 685865905 /nfs/dbraw/zinc/86/59/05/685865905.db2.gz LCUXZDZPARMVTQ-KBPBESRZSA-N 1 2 286.379 1.386 20 30 CDEDLO C#CCC1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000886792772 685881058 /nfs/dbraw/zinc/88/10/58/685881058.db2.gz MUSJSXDQGNWBLK-GFCCVEGCSA-N 1 2 257.337 1.508 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(Cc2ccccc2)CC1 ZINC001032451315 685887125 /nfs/dbraw/zinc/88/71/25/685887125.db2.gz AVKLMGZFEIPGJJ-IRXDYDNUSA-N 1 2 294.398 1.928 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(Cc2ccccc2)CC1 ZINC001032451315 685887128 /nfs/dbraw/zinc/88/71/28/685887128.db2.gz AVKLMGZFEIPGJJ-IRXDYDNUSA-N 1 2 294.398 1.928 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)O2 ZINC001053677226 685897686 /nfs/dbraw/zinc/89/76/86/685897686.db2.gz UZQCPBGPUUAOKF-QLFBSQMISA-N 1 2 290.407 1.568 20 30 CDEDLO C#CC[C@@H]([NH2+][C@@H]1CCc2cccnc2CC1)C(=O)OC ZINC000877582808 685906982 /nfs/dbraw/zinc/90/69/82/685906982.db2.gz HVEUVFTWJNJEIM-UKRRQHHQSA-N 1 2 272.348 1.484 20 30 CDEDLO C#C[C@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)[C@@H]1CCCO1 ZINC000847758908 685910764 /nfs/dbraw/zinc/91/07/64/685910764.db2.gz PQVBYVRFBYQDQY-KBPBESRZSA-N 1 2 283.331 1.553 20 30 CDEDLO Cc1ccn(C[N@@H+]2CCCO[C@@H](C(C)C)C2)c(=O)c1C#N ZINC000840096764 685918656 /nfs/dbraw/zinc/91/86/56/685918656.db2.gz QKWFPUWYAKAWTN-OAHLLOKOSA-N 1 2 289.379 1.733 20 30 CDEDLO Cc1ccn(C[N@H+]2CCCO[C@@H](C(C)C)C2)c(=O)c1C#N ZINC000840096764 685918661 /nfs/dbraw/zinc/91/86/61/685918661.db2.gz QKWFPUWYAKAWTN-OAHLLOKOSA-N 1 2 289.379 1.733 20 30 CDEDLO COC(=O)c1cc(C=NNc2[nH+]ccn2C)n(C)c1C ZINC000800817876 685920931 /nfs/dbraw/zinc/92/09/31/685920931.db2.gz XTFQZRCPQROBFE-UHFFFAOYSA-N 1 2 275.312 1.300 20 30 CDEDLO Cc1ccccc1C(N)=[NH+]OCC(=O)NC1CCCC1 ZINC000047823536 685931721 /nfs/dbraw/zinc/93/17/21/685931721.db2.gz QBOVGNJVNDJPCW-UHFFFAOYSA-N 1 2 275.352 1.691 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2scnc2C(C)C)C1 ZINC001015810171 685932795 /nfs/dbraw/zinc/93/27/95/685932795.db2.gz BQMBOYPUTSKUQJ-NSHDSACASA-N 1 2 277.393 1.704 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2scnc2C(C)C)C1 ZINC001015810171 685932800 /nfs/dbraw/zinc/93/28/00/685932800.db2.gz BQMBOYPUTSKUQJ-NSHDSACASA-N 1 2 277.393 1.704 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)n1cccc1 ZINC001017483361 686024541 /nfs/dbraw/zinc/02/45/41/686024541.db2.gz QTPCBJSWTWQVRZ-KFWWJZLASA-N 1 2 271.364 1.358 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)n1cccc1 ZINC001017483361 686024542 /nfs/dbraw/zinc/02/45/42/686024542.db2.gz QTPCBJSWTWQVRZ-KFWWJZLASA-N 1 2 271.364 1.358 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CC[C@@H](C(N)=O)C1 ZINC000853675483 686029596 /nfs/dbraw/zinc/02/95/96/686029596.db2.gz TWLSRDYGHRMFPK-OLZOCXBDSA-N 1 2 287.363 1.940 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@@H+](CC)[C@@H]3C2)cc1 ZINC001074312219 686068000 /nfs/dbraw/zinc/06/80/00/686068000.db2.gz JIGKNOBSNQDEEM-IAGOWNOFSA-N 1 2 298.386 1.603 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@H+](CC)[C@@H]3C2)cc1 ZINC001074312219 686068009 /nfs/dbraw/zinc/06/80/09/686068009.db2.gz JIGKNOBSNQDEEM-IAGOWNOFSA-N 1 2 298.386 1.603 20 30 CDEDLO C#Cc1ccccc1CC(=O)NC1C[NH+](CC(=C)C)C1 ZINC001031313578 686069060 /nfs/dbraw/zinc/06/90/60/686069060.db2.gz PHOCMBIOIIQWLM-UHFFFAOYSA-N 1 2 268.360 1.587 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2oc(CO)cc2c1 ZINC000848385878 686301681 /nfs/dbraw/zinc/30/16/81/686301681.db2.gz ARWOWRJYRRNIMR-HNNXBMFYSA-N 1 2 298.342 1.961 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2oc(CO)cc2c1 ZINC000848385878 686301690 /nfs/dbraw/zinc/30/16/90/686301690.db2.gz ARWOWRJYRRNIMR-HNNXBMFYSA-N 1 2 298.342 1.961 20 30 CDEDLO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794636970 686326704 /nfs/dbraw/zinc/32/67/04/686326704.db2.gz ROBOXZFISOAEJY-QWRGUYRKSA-N 1 2 295.412 1.210 20 30 CDEDLO C[C@H](O)C[C@@H]1CCC[N@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794636970 686326712 /nfs/dbraw/zinc/32/67/12/686326712.db2.gz ROBOXZFISOAEJY-QWRGUYRKSA-N 1 2 295.412 1.210 20 30 CDEDLO CON=CC(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000809800650 686327545 /nfs/dbraw/zinc/32/75/45/686327545.db2.gz GAEYERLZRRJKTN-UHFFFAOYSA-N 1 2 258.281 1.956 20 30 CDEDLO C#C[C@H](C)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883771008 686374031 /nfs/dbraw/zinc/37/40/31/686374031.db2.gz ISCKQNBOPLDCGH-DZGCQCFKSA-N 1 2 282.347 1.945 20 30 CDEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1nc[nH]n1)CC2 ZINC001035823110 686413579 /nfs/dbraw/zinc/41/35/79/686413579.db2.gz FVQVMDZUKFXMNC-UHFFFAOYSA-N 1 2 295.774 1.095 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccnn2CC)C1 ZINC001033035707 686431950 /nfs/dbraw/zinc/43/19/50/686431950.db2.gz JHCHOGCHWKANBC-GFCCVEGCSA-N 1 2 296.802 1.802 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnn2CC)C1 ZINC001033035707 686431970 /nfs/dbraw/zinc/43/19/70/686431970.db2.gz JHCHOGCHWKANBC-GFCCVEGCSA-N 1 2 296.802 1.802 20 30 CDEDLO C#CCOc1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000779094227 686552629 /nfs/dbraw/zinc/55/26/29/686552629.db2.gz BCFFNGLONRCPEX-AWEZNQCLSA-N 1 2 295.342 1.640 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(C)n1 ZINC001032586168 686621218 /nfs/dbraw/zinc/62/12/18/686621218.db2.gz LMRYXPUYSUUIRR-RYUDHWBXSA-N 1 2 275.377 1.374 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(C)n1 ZINC001032586168 686621242 /nfs/dbraw/zinc/62/12/42/686621242.db2.gz LMRYXPUYSUUIRR-RYUDHWBXSA-N 1 2 275.377 1.374 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3CC=CC3)C[C@H]21 ZINC001074200709 686733175 /nfs/dbraw/zinc/73/31/75/686733175.db2.gz YWEGAVLXEMXJFS-HZPDHXFCSA-N 1 2 288.391 1.278 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CC=CC3)C[C@H]21 ZINC001074200709 686733186 /nfs/dbraw/zinc/73/31/86/686733186.db2.gz YWEGAVLXEMXJFS-HZPDHXFCSA-N 1 2 288.391 1.278 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(F)s2)C1 ZINC001033701629 686735695 /nfs/dbraw/zinc/73/56/95/686735695.db2.gz KIGAOFGVSUSOGT-JTQLQIEISA-N 1 2 266.341 1.667 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(F)s2)C1 ZINC001033701629 686735705 /nfs/dbraw/zinc/73/57/05/686735705.db2.gz KIGAOFGVSUSOGT-JTQLQIEISA-N 1 2 266.341 1.667 20 30 CDEDLO Cc1cc(C)c(C(=O)N2C[C@H]3CC[C@@H](C2)N3CC#N)c(C)[nH+]1 ZINC001029401642 686765043 /nfs/dbraw/zinc/76/50/43/686765043.db2.gz WLSCAHUAWYNYBJ-GASCZTMLSA-N 1 2 298.390 1.819 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)nn(C)c1F ZINC001018226399 686765201 /nfs/dbraw/zinc/76/52/01/686765201.db2.gz WIQQCHLCWHZWOS-TXEJJXNPSA-N 1 2 292.358 1.342 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)nn(C)c1F ZINC001018226399 686765212 /nfs/dbraw/zinc/76/52/12/686765212.db2.gz WIQQCHLCWHZWOS-TXEJJXNPSA-N 1 2 292.358 1.342 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1C1CC1 ZINC001038875436 686802473 /nfs/dbraw/zinc/80/24/73/686802473.db2.gz BFHMGHPWMAQDQU-LBPRGKRZSA-N 1 2 272.352 1.115 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1C1CC1 ZINC001038875436 686802476 /nfs/dbraw/zinc/80/24/76/686802476.db2.gz BFHMGHPWMAQDQU-LBPRGKRZSA-N 1 2 272.352 1.115 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2n[nH]c(C)c2C)C1 ZINC001035316677 686820582 /nfs/dbraw/zinc/82/05/82/686820582.db2.gz AERXEMXSUSKXON-ZDUSSCGKSA-N 1 2 292.383 1.033 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2n[nH]c(C)c2C)C1 ZINC001035316677 686820583 /nfs/dbraw/zinc/82/05/83/686820583.db2.gz AERXEMXSUSKXON-ZDUSSCGKSA-N 1 2 292.383 1.033 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1nonc1C ZINC001028346008 686820897 /nfs/dbraw/zinc/82/08/97/686820897.db2.gz LLMCREKVBUFKIN-JTQLQIEISA-N 1 2 284.747 1.325 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1nonc1C ZINC001028346008 686820898 /nfs/dbraw/zinc/82/08/98/686820898.db2.gz LLMCREKVBUFKIN-JTQLQIEISA-N 1 2 284.747 1.325 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001038446336 686826200 /nfs/dbraw/zinc/82/62/00/686826200.db2.gz PFTDJXVUKUKKBC-GFCCVEGCSA-N 1 2 288.395 1.535 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001038446336 686826203 /nfs/dbraw/zinc/82/62/03/686826203.db2.gz PFTDJXVUKUKKBC-GFCCVEGCSA-N 1 2 288.395 1.535 20 30 CDEDLO Cc1[nH+]cc(C=NNC(=S)NCC(F)(F)F)n1C ZINC000853297517 686831864 /nfs/dbraw/zinc/83/18/64/686831864.db2.gz GNNRNAXYXXKJCF-UHFFFAOYSA-N 1 2 279.291 1.089 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2scnc2c1 ZINC001038879268 686842764 /nfs/dbraw/zinc/84/27/64/686842764.db2.gz SXHPJWXAWFECLX-LBPRGKRZSA-N 1 2 285.372 1.734 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2scnc2c1 ZINC001038879268 686842767 /nfs/dbraw/zinc/84/27/67/686842767.db2.gz SXHPJWXAWFECLX-LBPRGKRZSA-N 1 2 285.372 1.734 20 30 CDEDLO CC#CC[NH+]1CCC(NC(=O)c2[nH]nc(C)c2C)CC1 ZINC001002492330 686850152 /nfs/dbraw/zinc/85/01/52/686850152.db2.gz MITKVPWUGYLDGW-UHFFFAOYSA-N 1 2 274.368 1.244 20 30 CDEDLO CC(C)(C)C[N@@H+](CC(=O)OC(C)(C)C)C[C@H](O)CC#N ZINC000931060494 686851638 /nfs/dbraw/zinc/85/16/38/686851638.db2.gz UDYCZAVJOKBQMQ-GFCCVEGCSA-N 1 2 284.400 1.951 20 30 CDEDLO CC(C)(C)C[N@H+](CC(=O)OC(C)(C)C)C[C@H](O)CC#N ZINC000931060494 686851640 /nfs/dbraw/zinc/85/16/40/686851640.db2.gz UDYCZAVJOKBQMQ-GFCCVEGCSA-N 1 2 284.400 1.951 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc[nH]c2C(C)C)C1 ZINC001035484942 686855030 /nfs/dbraw/zinc/85/50/30/686855030.db2.gz RSVSDTDYPFTHTP-ZDUSSCGKSA-N 1 2 291.395 1.755 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc[nH]c2C(C)C)C1 ZINC001035484942 686855036 /nfs/dbraw/zinc/85/50/36/686855036.db2.gz RSVSDTDYPFTHTP-ZDUSSCGKSA-N 1 2 291.395 1.755 20 30 CDEDLO C=CCN1CC(N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001042721484 686856636 /nfs/dbraw/zinc/85/66/36/686856636.db2.gz DTNFSFZDMJSWRF-UHFFFAOYSA-N 1 2 284.363 1.585 20 30 CDEDLO Cc1[nH]c(CN=Nc2ncnc3c2cnn3C)[nH+]c1C ZINC000853289749 686861408 /nfs/dbraw/zinc/86/14/08/686861408.db2.gz PQCNCCDINKYTMZ-UHFFFAOYSA-N 1 2 270.300 1.149 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(C#N)cn1 ZINC000780157278 686936381 /nfs/dbraw/zinc/93/63/81/686936381.db2.gz YADIWHXPSXQNQH-NSHDSACASA-N 1 2 284.323 1.038 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001031331130 686989581 /nfs/dbraw/zinc/98/95/81/686989581.db2.gz ZBUHFDKYUYLOQJ-OAHLLOKOSA-N 1 2 288.778 1.803 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1c(F)cc(OC)cc1F ZINC001038725771 686990668 /nfs/dbraw/zinc/99/06/68/686990668.db2.gz MVKDOLCCQXRAPG-SNVBAGLBSA-N 1 2 296.317 1.964 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(F)cc(OC)cc1F ZINC001038725771 686990675 /nfs/dbraw/zinc/99/06/75/686990675.db2.gz MVKDOLCCQXRAPG-SNVBAGLBSA-N 1 2 296.317 1.964 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(CC)o2)C1 ZINC001035415461 686991024 /nfs/dbraw/zinc/99/10/24/686991024.db2.gz DVIRVILYFCXEMT-AWEZNQCLSA-N 1 2 290.363 1.296 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(CC)o2)C1 ZINC001035415461 686991032 /nfs/dbraw/zinc/99/10/32/686991032.db2.gz DVIRVILYFCXEMT-AWEZNQCLSA-N 1 2 290.363 1.296 20 30 CDEDLO C[C@@H]1[C@@H]([NH2+]Cc2cnsn2)CCN1C(=O)C#CC1CC1 ZINC000986251890 687028208 /nfs/dbraw/zinc/02/82/08/687028208.db2.gz BMPZYDALIJHZNQ-MFKMUULPSA-N 1 2 290.392 1.031 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CCOC2)C1 ZINC001033366674 687055845 /nfs/dbraw/zinc/05/58/45/687055845.db2.gz YMXUFSROQFLEBH-WCQYABFASA-N 1 2 290.766 1.400 20 30 CDEDLO C[C@H](CNC(=O)N(C)C[C@H]1CCCCO1)[NH+]1CCOCC1 ZINC000328780157 687058733 /nfs/dbraw/zinc/05/87/33/687058733.db2.gz FDYCYRWTIYAIKX-ZIAGYGMSSA-N 1 2 299.415 1.122 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1nc[nH]n1 ZINC001049797301 687125902 /nfs/dbraw/zinc/12/59/02/687125902.db2.gz HHHYKLWSDGBLHC-GHMZBOCLSA-N 1 2 295.774 1.236 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1nc[nH]n1 ZINC001049797301 687125904 /nfs/dbraw/zinc/12/59/04/687125904.db2.gz HHHYKLWSDGBLHC-GHMZBOCLSA-N 1 2 295.774 1.236 20 30 CDEDLO C=CC[N@H+](CN1C[C@](C)(COC)CC1=O)[C@@H](C)COC ZINC000853534066 687140882 /nfs/dbraw/zinc/14/08/82/687140882.db2.gz GJKXZMLGBXTELD-DZGCQCFKSA-N 1 2 284.400 1.352 20 30 CDEDLO C=CC[N@@H+](CN1C[C@](C)(COC)CC1=O)[C@@H](C)COC ZINC000853534066 687140887 /nfs/dbraw/zinc/14/08/87/687140887.db2.gz GJKXZMLGBXTELD-DZGCQCFKSA-N 1 2 284.400 1.352 20 30 CDEDLO C#C[C@H](CCC)NC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000923223628 687146126 /nfs/dbraw/zinc/14/61/26/687146126.db2.gz YSCOGIJTDUZVPE-ZIAGYGMSSA-N 1 2 281.400 1.198 20 30 CDEDLO C#CCCN1CC(N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001042722288 687151296 /nfs/dbraw/zinc/15/12/96/687151296.db2.gz IJXSASIHEWFKBY-UHFFFAOYSA-N 1 2 296.374 1.422 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001031088038 687185956 /nfs/dbraw/zinc/18/59/56/687185956.db2.gz HPCAPKGIEFNEGT-KBPBESRZSA-N 1 2 264.369 1.344 20 30 CDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cnco2)C1 ZINC001031883796 687186962 /nfs/dbraw/zinc/18/69/62/687186962.db2.gz BDHBQZKOKKFJLQ-UHFFFAOYSA-N 1 2 296.330 1.408 20 30 CDEDLO CC(C)CON=C(N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181842163 687189188 /nfs/dbraw/zinc/18/91/88/687189188.db2.gz VSLNEKHTAYCBIM-HNNXBMFYSA-N 1 2 291.395 1.832 20 30 CDEDLO CC(C)CON=C(N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181842163 687189197 /nfs/dbraw/zinc/18/91/97/687189197.db2.gz VSLNEKHTAYCBIM-HNNXBMFYSA-N 1 2 291.395 1.832 20 30 CDEDLO C#CCC[C@@H](O)CNc1nc(N)c2ccccc2[nH+]1 ZINC000798419939 687194475 /nfs/dbraw/zinc/19/44/75/687194475.db2.gz XCWULSDLYIGSDW-SNVBAGLBSA-N 1 2 256.309 1.398 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](CN2C[C@]3(CCOC3)CC2=O)C1 ZINC000853524405 687196408 /nfs/dbraw/zinc/19/64/08/687196408.db2.gz MTAHASBECOAQAH-HIFRSBDPSA-N 1 2 277.368 1.209 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](CN2C[C@]3(CCOC3)CC2=O)C1 ZINC000853524405 687196413 /nfs/dbraw/zinc/19/64/13/687196413.db2.gz MTAHASBECOAQAH-HIFRSBDPSA-N 1 2 277.368 1.209 20 30 CDEDLO CCN(C[C@H](C)C#N)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783974140 687268822 /nfs/dbraw/zinc/26/88/22/687268822.db2.gz HYMFAUDDFQCHDF-CHWSQXEVSA-N 1 2 289.383 1.175 20 30 CDEDLO Cc1nc(N(C)C[C@H]2CCN(C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001062118753 687270812 /nfs/dbraw/zinc/27/08/12/687270812.db2.gz WSWJAGOIUIEUCI-OAHLLOKOSA-N 1 2 298.390 1.483 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)nn2CC)C1 ZINC001015740915 687286006 /nfs/dbraw/zinc/28/60/06/687286006.db2.gz FAPXLXABHKFRSV-LBPRGKRZSA-N 1 2 296.802 1.768 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)nn2CC)C1 ZINC001015740915 687286017 /nfs/dbraw/zinc/28/60/17/687286017.db2.gz FAPXLXABHKFRSV-LBPRGKRZSA-N 1 2 296.802 1.768 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(C)noc2C(C)C)C1 ZINC001042986247 687334353 /nfs/dbraw/zinc/33/43/53/687334353.db2.gz VNMNKULZYIIGEM-UHFFFAOYSA-N 1 2 289.379 1.886 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Cl)o1 ZINC001050820070 687349753 /nfs/dbraw/zinc/34/97/53/687349753.db2.gz JJFYFOIOULEJSN-NSHDSACASA-N 1 2 298.770 1.940 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Cl)o1 ZINC001050820070 687349761 /nfs/dbraw/zinc/34/97/61/687349761.db2.gz JJFYFOIOULEJSN-NSHDSACASA-N 1 2 298.770 1.940 20 30 CDEDLO COCCc1noc(CO[NH+]=C(N)c2ccccc2)n1 ZINC000172381329 687352800 /nfs/dbraw/zinc/35/28/00/687352800.db2.gz DCWLVSOSQALFJP-UHFFFAOYSA-N 1 2 276.296 1.096 20 30 CDEDLO C=C[C@@H](C)ONC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000844286539 687362668 /nfs/dbraw/zinc/36/26/68/687362668.db2.gz ZSLFXQSYYRHCBK-LLVKDONJSA-N 1 2 278.356 1.567 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2CCC(C)(C)CO2)C1 ZINC001030695765 687373027 /nfs/dbraw/zinc/37/30/27/687373027.db2.gz FKUCDQALKPFYIZ-CQSZACIVSA-N 1 2 278.396 1.405 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnoc2C2CC2)C1 ZINC001009065200 687375618 /nfs/dbraw/zinc/37/56/18/687375618.db2.gz NYPHJUVIXMMQEE-LBPRGKRZSA-N 1 2 273.336 1.379 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnoc2C2CC2)C1 ZINC001009065200 687375623 /nfs/dbraw/zinc/37/56/23/687375623.db2.gz NYPHJUVIXMMQEE-LBPRGKRZSA-N 1 2 273.336 1.379 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(NC(C)=O)cc2)C1 ZINC001044222442 687380876 /nfs/dbraw/zinc/38/08/76/687380876.db2.gz JSAWBRDXJBGSAG-UHFFFAOYSA-N 1 2 299.374 1.425 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ncc(CCC)s1 ZINC000884312822 687414151 /nfs/dbraw/zinc/41/41/51/687414151.db2.gz OSYDKIYKONHEIB-JTQLQIEISA-N 1 2 297.380 1.481 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccn(C)c2C)C1 ZINC001031957546 687436682 /nfs/dbraw/zinc/43/66/82/687436682.db2.gz YKHXBAJEMONHGC-UHFFFAOYSA-N 1 2 281.787 1.748 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)nc1C ZINC001039040139 687457243 /nfs/dbraw/zinc/45/72/43/687457243.db2.gz OEESRAAOEZEVMO-CQSZACIVSA-N 1 2 271.364 1.526 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)nc1C ZINC001039040139 687457255 /nfs/dbraw/zinc/45/72/55/687457255.db2.gz OEESRAAOEZEVMO-CQSZACIVSA-N 1 2 271.364 1.526 20 30 CDEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)C(=O)OC(C)(C)C)CC1 ZINC000844340499 687502507 /nfs/dbraw/zinc/50/25/07/687502507.db2.gz GHGOWCFTDYOVHG-GFCCVEGCSA-N 1 2 295.383 1.165 20 30 CDEDLO C=C[C@H](C)ONC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000845643091 687517128 /nfs/dbraw/zinc/51/71/28/687517128.db2.gz WMDUYXWGYGQKPE-JTQLQIEISA-N 1 2 264.329 1.805 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ncnc3[nH]ccc32)C1 ZINC001043229052 687550239 /nfs/dbraw/zinc/55/02/39/687550239.db2.gz UCDJWFQQRSXYIW-UHFFFAOYSA-N 1 2 285.351 1.242 20 30 CDEDLO Cc1cc(Cl)ccc1NC(=O)CO[NH+]=C(N)CCO ZINC000121403122 687553457 /nfs/dbraw/zinc/55/34/57/687553457.db2.gz PAPLSRHEYQDKER-UHFFFAOYSA-N 1 2 285.731 1.258 20 30 CDEDLO C=CCCCC(=O)N1CC[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001065711209 687574500 /nfs/dbraw/zinc/57/45/00/687574500.db2.gz JQJMGNXWQHCKSQ-HNNXBMFYSA-N 1 2 293.411 1.108 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cccc3nsnc32)nn1 ZINC000881219400 687657091 /nfs/dbraw/zinc/65/70/91/687657091.db2.gz HBQVKOGWLCVQEA-UHFFFAOYSA-N 1 2 298.375 1.444 20 30 CDEDLO C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2CC#N)n1cc[nH+]c1 ZINC001029495340 687678604 /nfs/dbraw/zinc/67/86/04/687678604.db2.gz FPBMVLSBHBNYJH-MELADBBJSA-N 1 2 287.367 1.033 20 30 CDEDLO C#Cc1cccnc1N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866210656 687759651 /nfs/dbraw/zinc/75/96/51/687759651.db2.gz AGJVKDBQQLYKIJ-UHFFFAOYSA-N 1 2 284.407 1.279 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cc(C)nn2C)C1 ZINC001015258101 687787544 /nfs/dbraw/zinc/78/75/44/687787544.db2.gz VRGUJXIYQHFJTJ-LBPRGKRZSA-N 1 2 296.802 1.214 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cc(C)nn2C)C1 ZINC001015258101 687787548 /nfs/dbraw/zinc/78/75/48/687787548.db2.gz VRGUJXIYQHFJTJ-LBPRGKRZSA-N 1 2 296.802 1.214 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccnc1 ZINC001032319226 687800240 /nfs/dbraw/zinc/80/02/40/687800240.db2.gz LNKFEORWZNQAGH-XBFCOCLRSA-N 1 2 270.336 1.026 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccnc1 ZINC001032319226 687800244 /nfs/dbraw/zinc/80/02/44/687800244.db2.gz LNKFEORWZNQAGH-XBFCOCLRSA-N 1 2 270.336 1.026 20 30 CDEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cn(C[C@H]2CCCO2)nn1 ZINC000877482191 687824053 /nfs/dbraw/zinc/82/40/53/687824053.db2.gz ATGNPTIVMDQOQB-LSDHHAIUSA-N 1 2 276.384 1.998 20 30 CDEDLO C=C[C@H]1CCCC[N@H+]1Cc1cn(C[C@H]2CCCO2)nn1 ZINC000877482191 687824057 /nfs/dbraw/zinc/82/40/57/687824057.db2.gz ATGNPTIVMDQOQB-LSDHHAIUSA-N 1 2 276.384 1.998 20 30 CDEDLO COc1cccc(O)c1/C=N\CC[NH+]1CCOCC1 ZINC000812389430 687838918 /nfs/dbraw/zinc/83/89/18/687838918.db2.gz JBSXGTGRMCDQQN-PTNGSMBKSA-N 1 2 264.325 1.152 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)ccn1C ZINC001017505896 687846068 /nfs/dbraw/zinc/84/60/68/687846068.db2.gz ZVSJHLTXZUFCED-GASCZTMLSA-N 1 2 285.391 1.646 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)ccn1C ZINC001017505896 687846071 /nfs/dbraw/zinc/84/60/71/687846071.db2.gz ZVSJHLTXZUFCED-GASCZTMLSA-N 1 2 285.391 1.646 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(OCC)c1 ZINC001032618288 687847570 /nfs/dbraw/zinc/84/75/70/687847570.db2.gz QHMPAISQMVXCNZ-GJZGRUSLSA-N 1 2 299.374 1.402 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(OCC)c1 ZINC001032618288 687847573 /nfs/dbraw/zinc/84/75/73/687847573.db2.gz QHMPAISQMVXCNZ-GJZGRUSLSA-N 1 2 299.374 1.402 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccccc1C ZINC000884044392 687872672 /nfs/dbraw/zinc/87/26/72/687872672.db2.gz GJHCLZRVNQMUNP-NSHDSACASA-N 1 2 262.309 1.380 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC1(C)C)O2 ZINC001053646652 687884370 /nfs/dbraw/zinc/88/43/70/687884370.db2.gz BHCJYFNUZPUEMZ-KBPBESRZSA-N 1 2 292.423 1.958 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2nn(C)c(C)c2Cl)CC1 ZINC000817528100 687898324 /nfs/dbraw/zinc/89/83/24/687898324.db2.gz QZXBLHMLWOZKGU-UHFFFAOYSA-N 1 2 294.786 1.163 20 30 CDEDLO C#CCCCCC(=O)O[C@@H](COC)C[N@@H+]1CCO[C@H](C)C1 ZINC000842972845 687945404 /nfs/dbraw/zinc/94/54/04/687945404.db2.gz IFBLQSDLWBARLB-HUUCEWRRSA-N 1 2 297.395 1.459 20 30 CDEDLO C#CCCCCC(=O)O[C@@H](COC)C[N@H+]1CCO[C@H](C)C1 ZINC000842972845 687945415 /nfs/dbraw/zinc/94/54/15/687945415.db2.gz IFBLQSDLWBARLB-HUUCEWRRSA-N 1 2 297.395 1.459 20 30 CDEDLO C=CCCON=C(N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181839013 687975593 /nfs/dbraw/zinc/97/55/93/687975593.db2.gz CFOROGUZWJXYIT-OAHLLOKOSA-N 1 2 289.379 1.752 20 30 CDEDLO C=CCCON=C(N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181839013 687975605 /nfs/dbraw/zinc/97/56/05/687975605.db2.gz CFOROGUZWJXYIT-OAHLLOKOSA-N 1 2 289.379 1.752 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2cccn2)CC[C@H]1C ZINC001071354007 687982919 /nfs/dbraw/zinc/98/29/19/687982919.db2.gz GCEFYSPOOYIRNT-CHWSQXEVSA-N 1 2 296.802 1.605 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2cccn2)CC[C@H]1C ZINC001071354007 687982950 /nfs/dbraw/zinc/98/29/50/687982950.db2.gz GCEFYSPOOYIRNT-CHWSQXEVSA-N 1 2 296.802 1.605 20 30 CDEDLO C#CCOc1cccc(NC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000819438915 688002227 /nfs/dbraw/zinc/00/22/27/688002227.db2.gz LCJDQFQQEMFIHW-HNNXBMFYSA-N 1 2 287.363 1.317 20 30 CDEDLO C#CCOc1cccc(NC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000819438915 688002234 /nfs/dbraw/zinc/00/22/34/688002234.db2.gz LCJDQFQQEMFIHW-HNNXBMFYSA-N 1 2 287.363 1.317 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(C(C)(C)C)c1 ZINC001038437465 688011355 /nfs/dbraw/zinc/01/13/55/688011355.db2.gz GYHNGICNZQUTPX-CQSZACIVSA-N 1 2 288.395 1.466 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(C(C)(C)C)c1 ZINC001038437465 688011358 /nfs/dbraw/zinc/01/13/58/688011358.db2.gz GYHNGICNZQUTPX-CQSZACIVSA-N 1 2 288.395 1.466 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[C@H](C)O1 ZINC001017881503 688049034 /nfs/dbraw/zinc/04/90/34/688049034.db2.gz AFQHTVJOPARHDE-BYNSBNAKSA-N 1 2 276.380 1.252 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[C@H](C)O1 ZINC001017881503 688049046 /nfs/dbraw/zinc/04/90/46/688049046.db2.gz AFQHTVJOPARHDE-BYNSBNAKSA-N 1 2 276.380 1.252 20 30 CDEDLO C#C[C@@H](C)[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000184695957 688105693 /nfs/dbraw/zinc/10/56/93/688105693.db2.gz YMBXARBHTNZQTR-KCJUWKMLSA-N 1 2 281.153 1.587 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001038785994 688092671 /nfs/dbraw/zinc/09/26/71/688092671.db2.gz KHWOEIZQLKIDKB-OAGGEKHMSA-N 1 2 268.360 1.614 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001038785994 688092678 /nfs/dbraw/zinc/09/26/78/688092678.db2.gz KHWOEIZQLKIDKB-OAGGEKHMSA-N 1 2 268.360 1.614 20 30 CDEDLO Cn1cc[nH+]c1NN=Cc1ccc2c(c1)OCCO2 ZINC000790302321 688093391 /nfs/dbraw/zinc/09/33/91/688093391.db2.gz PJSBKMLWKLUGKP-UHFFFAOYSA-N 1 2 258.281 1.637 20 30 CDEDLO C=C(C)C[C@@H](CO)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000882902618 688111288 /nfs/dbraw/zinc/11/12/88/688111288.db2.gz KKLQQZUDUCTURI-RYUDHWBXSA-N 1 2 251.330 1.278 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2cccc(OC)c2)C1 ZINC001031341611 688120412 /nfs/dbraw/zinc/12/04/12/688120412.db2.gz QYVKYEVXCWKZCU-UHFFFAOYSA-N 1 2 260.337 1.224 20 30 CDEDLO CCOC(=O)[C@H](C#N)Nc1cc(C)cn2cc[nH+]c12 ZINC001170368771 1162344205 /nfs/dbraw/zinc/34/42/05/1162344205.db2.gz IWPVTTGJARDDKD-NSHDSACASA-N 1 2 258.281 1.510 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3nc(C)no3)C[C@H]21 ZINC001114002333 1162399245 /nfs/dbraw/zinc/39/92/45/1162399245.db2.gz KPIYUXLKVHQVFW-WUWHUORYSA-N 1 2 290.367 1.452 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3nc(C)no3)C[C@H]21 ZINC001114002333 1162399248 /nfs/dbraw/zinc/39/92/48/1162399248.db2.gz KPIYUXLKVHQVFW-WUWHUORYSA-N 1 2 290.367 1.452 20 30 CDEDLO C=C(C)CCC(=O)N(C)C1C[NH+](CCn2cccn2)C1 ZINC001754576285 1159287946 /nfs/dbraw/zinc/28/79/46/1159287946.db2.gz GDYUMAKWFGTVKA-UHFFFAOYSA-N 1 2 276.384 1.382 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(C)=O)[C@H]1CC ZINC001087478305 1160135553 /nfs/dbraw/zinc/13/55/53/1160135553.db2.gz KCIVLZVTHNARGM-WDEREUQCSA-N 1 2 275.190 1.884 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(C)=O)[C@H]1CC ZINC001087478305 1160135555 /nfs/dbraw/zinc/13/55/55/1160135555.db2.gz KCIVLZVTHNARGM-WDEREUQCSA-N 1 2 275.190 1.884 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[NH2+]Cc1nncs1 ZINC001752891191 1161422274 /nfs/dbraw/zinc/42/22/74/1161422274.db2.gz GKPMJHFMLNWCBT-SECBINFHSA-N 1 2 268.386 1.345 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)noc1CC ZINC001085965729 1161957155 /nfs/dbraw/zinc/95/71/55/1161957155.db2.gz QRDPAVCKHPRTOS-ZDUSSCGKSA-N 1 2 289.379 1.715 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)noc1CC ZINC001085965729 1161957159 /nfs/dbraw/zinc/95/71/59/1161957159.db2.gz QRDPAVCKHPRTOS-ZDUSSCGKSA-N 1 2 289.379 1.715 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)C(C)(C)CC)CC1 ZINC001113277243 1162146588 /nfs/dbraw/zinc/14/65/88/1162146588.db2.gz DYZWNXCIYDYACT-UHFFFAOYSA-N 1 2 268.401 1.769 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001133158010 1163587502 /nfs/dbraw/zinc/58/75/02/1163587502.db2.gz WQVRNLRDFPTITK-SNVBAGLBSA-N 1 2 266.345 1.501 20 30 CDEDLO CCC#C[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879762884 1166409944 /nfs/dbraw/zinc/40/99/44/1166409944.db2.gz HCOTWNLRGYHOMP-CMPLNLGQSA-N 1 2 276.302 1.931 20 30 CDEDLO CCC#C[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879762884 1166409946 /nfs/dbraw/zinc/40/99/46/1166409946.db2.gz HCOTWNLRGYHOMP-CMPLNLGQSA-N 1 2 276.302 1.931 20 30 CDEDLO N#Cc1cccc([C@@H](O)CN2CCn3c[nH+]cc3C2)c1 ZINC001646007510 1167607670 /nfs/dbraw/zinc/60/76/70/1167607670.db2.gz QOXUQOHPRBZBFX-HNNXBMFYSA-N 1 2 268.320 1.304 20 30 CDEDLO N#Cc1cc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cs1 ZINC001649908462 1169487558 /nfs/dbraw/zinc/48/75/58/1169487558.db2.gz YAWNATFEVINGPY-LBPRGKRZSA-N 1 2 291.376 1.166 20 30 CDEDLO C[N@H+](CCC#N)Cc1ccc(Cl)cc1-c1nn[nH]n1 ZINC001591062079 1173567981 /nfs/dbraw/zinc/56/79/81/1173567981.db2.gz NALOZRBOUHTSSU-UHFFFAOYSA-N 1 2 276.731 1.866 20 30 CDEDLO C[N@@H+](CCC#N)Cc1ccc(Cl)cc1-c1nn[nH]n1 ZINC001591062079 1173567985 /nfs/dbraw/zinc/56/79/85/1173567985.db2.gz NALOZRBOUHTSSU-UHFFFAOYSA-N 1 2 276.731 1.866 20 30 CDEDLO C[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)[C@@H]1CCC[C@H]1C#N ZINC001591150189 1173580448 /nfs/dbraw/zinc/58/04/48/1173580448.db2.gz SYCJMHJGXXSIIS-WCQYABFASA-N 1 2 283.339 1.386 20 30 CDEDLO C[N@@H+](Cc1ccnc(-c2nn[nH]n2)c1)[C@@H]1CCC[C@H]1C#N ZINC001591150189 1173580455 /nfs/dbraw/zinc/58/04/55/1173580455.db2.gz SYCJMHJGXXSIIS-WCQYABFASA-N 1 2 283.339 1.386 20 30 CDEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC001602894277 1175445604 /nfs/dbraw/zinc/44/56/04/1175445604.db2.gz TZCCCOVATHODKR-NSHDSACASA-N 1 2 298.350 1.149 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC001602894277 1175445606 /nfs/dbraw/zinc/44/56/06/1175445606.db2.gz TZCCCOVATHODKR-NSHDSACASA-N 1 2 298.350 1.149 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2ccc(C#N)c(F)c2)C1 ZINC000155607043 1178164072 /nfs/dbraw/zinc/16/40/72/1178164072.db2.gz TZSIJZRRLMMANG-GFCCVEGCSA-N 1 2 250.273 1.407 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2ccc(C#N)c(F)c2)C1 ZINC000155607043 1178164075 /nfs/dbraw/zinc/16/40/75/1178164075.db2.gz TZSIJZRRLMMANG-GFCCVEGCSA-N 1 2 250.273 1.407 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](CCNC(=O)C(F)C(F)(F)F)C1 ZINC001753332962 1185159291 /nfs/dbraw/zinc/15/92/91/1185159291.db2.gz ZARTWFWSXQGQDZ-QWRGUYRKSA-N 1 2 294.292 1.738 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](CCNC(=O)C(F)C(F)(F)F)C1 ZINC001753332962 1185159294 /nfs/dbraw/zinc/15/92/94/1185159294.db2.gz ZARTWFWSXQGQDZ-QWRGUYRKSA-N 1 2 294.292 1.738 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001753332962 1185159299 /nfs/dbraw/zinc/15/92/99/1185159299.db2.gz ZARTWFWSXQGQDZ-QWRGUYRKSA-N 1 2 294.292 1.738 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001753332962 1185159301 /nfs/dbraw/zinc/15/93/01/1185159301.db2.gz ZARTWFWSXQGQDZ-QWRGUYRKSA-N 1 2 294.292 1.738 20 30 CDEDLO CCCCOCC[NH+]1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001753374566 1185174386 /nfs/dbraw/zinc/17/43/86/1185174386.db2.gz IONJMRDABIPHMM-UHFFFAOYSA-N 1 2 290.367 1.117 20 30 CDEDLO Cc1ccccc1C[NH+]1CC(NC(=O)C#CC2CC2)C1 ZINC001753376625 1185176242 /nfs/dbraw/zinc/17/62/42/1185176242.db2.gz WDDDYASSWXQACZ-UHFFFAOYSA-N 1 2 268.360 1.709 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](OCC)c1ccccc1 ZINC001753427864 1185198976 /nfs/dbraw/zinc/19/89/76/1185198976.db2.gz WEDDYPKVRLWDQW-ULQDDVLXSA-N 1 2 298.386 1.683 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](OCC)c1ccccc1 ZINC001753427864 1185198977 /nfs/dbraw/zinc/19/89/77/1185198977.db2.gz WEDDYPKVRLWDQW-ULQDDVLXSA-N 1 2 298.386 1.683 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C(C)=C2CCC2)C1 ZINC001753648647 1185288091 /nfs/dbraw/zinc/28/80/91/1185288091.db2.gz KRIDAQRNCLOGEN-CQSZACIVSA-N 1 2 264.369 1.490 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C(C)=C2CCC2)C1 ZINC001753648647 1185288097 /nfs/dbraw/zinc/28/80/97/1185288097.db2.gz KRIDAQRNCLOGEN-CQSZACIVSA-N 1 2 264.369 1.490 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)C(C)(F)F)C1 ZINC001753656015 1185290070 /nfs/dbraw/zinc/29/00/70/1185290070.db2.gz KGWLWTFEHRPTNS-NSHDSACASA-N 1 2 290.354 1.671 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCO1 ZINC001753846629 1185354887 /nfs/dbraw/zinc/35/48/87/1185354887.db2.gz JOEMLAANDFMKFJ-NSHDSACASA-N 1 2 260.765 1.308 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCO1 ZINC001753846629 1185354890 /nfs/dbraw/zinc/35/48/90/1185354890.db2.gz JOEMLAANDFMKFJ-NSHDSACASA-N 1 2 260.765 1.308 20 30 CDEDLO C#CCC[NH2+]C/C=C\CNC(=O)C(F)C(F)(F)F ZINC001754122913 1185475620 /nfs/dbraw/zinc/47/56/20/1185475620.db2.gz KIJSUMCIBDFLSC-WBSSQXGSSA-N 1 2 266.238 1.172 20 30 CDEDLO C#CCC[NH2+]C/C=C\CNC(=O)[C@H](F)C(F)(F)F ZINC001754122913 1185475624 /nfs/dbraw/zinc/47/56/24/1185475624.db2.gz KIJSUMCIBDFLSC-WBSSQXGSSA-N 1 2 266.238 1.172 20 30 CDEDLO C=CCOCC(=O)N[C@H](C)C[N@H+](C)Cc1nc(C)oc1C ZINC001754306786 1185565352 /nfs/dbraw/zinc/56/53/52/1185565352.db2.gz RKEGXDIWVRUWFH-LLVKDONJSA-N 1 2 295.383 1.431 20 30 CDEDLO C=CCOCC(=O)N[C@H](C)C[N@@H+](C)Cc1nc(C)oc1C ZINC001754306786 1185565358 /nfs/dbraw/zinc/56/53/58/1185565358.db2.gz RKEGXDIWVRUWFH-LLVKDONJSA-N 1 2 295.383 1.431 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)C(F)(F)F ZINC001754499438 1185644268 /nfs/dbraw/zinc/64/42/68/1185644268.db2.gz GXBRUNQPXKNHJY-SNVBAGLBSA-N 1 2 276.302 1.789 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)Cc2ccc(C)o2)C1 ZINC001754573544 1185671130 /nfs/dbraw/zinc/67/11/30/1185671130.db2.gz PTJZBJNQGWTYBC-UHFFFAOYSA-N 1 2 292.379 1.476 20 30 CDEDLO C=CCCC[NH+]1CC(N(C)C(=O)c2cccc3nn[nH]c32)C1 ZINC001754575416 1185671900 /nfs/dbraw/zinc/67/19/00/1185671900.db2.gz HVNGSXTURDLVTF-UHFFFAOYSA-N 1 2 299.378 1.680 20 30 CDEDLO C=CCC1(C(=O)NC[C@@H]2COCC[N@H+]2CCC)CCC1 ZINC001754970918 1185775100 /nfs/dbraw/zinc/77/51/00/1185775100.db2.gz CLQGGQWZCATRHS-CQSZACIVSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CCC1(C(=O)NC[C@@H]2COCC[N@@H+]2CCC)CCC1 ZINC001754970918 1185775113 /nfs/dbraw/zinc/77/51/13/1185775113.db2.gz CLQGGQWZCATRHS-CQSZACIVSA-N 1 2 280.412 1.960 20 30 CDEDLO C=C[C@H](CC)CC(=O)NC1(CCO)C[NH+](CC(=C)C)C1 ZINC001755334680 1185922370 /nfs/dbraw/zinc/92/23/70/1185922370.db2.gz HCRALQWAGUJUKL-CQSZACIVSA-N 1 2 280.412 1.718 20 30 CDEDLO N#CC1(C[NH2+]C2CC[NH+](CC(=O)[O-])CC2)CCCC1 ZINC001608176183 1164436493 /nfs/dbraw/zinc/43/64/93/1164436493.db2.gz WCTSEPSJVLFTHA-UHFFFAOYSA-N 1 2 265.357 1.209 20 30 CDEDLO C=CC[NH+]1CCN(c2nc(Cl)ncc2OC)CC1 ZINC001165033645 721863483 /nfs/dbraw/zinc/86/34/83/721863483.db2.gz UHRZTCATUIYAHZ-UHFFFAOYSA-N 1 2 268.748 1.447 20 30 CDEDLO COCCN(C)N=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000794963008 1164839189 /nfs/dbraw/zinc/83/91/89/1164839189.db2.gz GVOONJVSFAQOOX-UHFFFAOYSA-N 1 2 258.325 1.784 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nocc2C)[C@H]1C ZINC001088962041 912386303 /nfs/dbraw/zinc/38/63/03/912386303.db2.gz JPLJBMVZFCUYDG-MNOVXSKESA-N 1 2 283.759 1.928 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nocc2C)[C@H]1C ZINC001088962041 912386321 /nfs/dbraw/zinc/38/63/21/912386321.db2.gz JPLJBMVZFCUYDG-MNOVXSKESA-N 1 2 283.759 1.928 20 30 CDEDLO CC(C)(C)OC(=O)[C@H](CO)[NH2+]C1CCC(CC#N)CC1 ZINC001173330468 912429590 /nfs/dbraw/zinc/42/95/90/912429590.db2.gz REKUYYPOXNPXJU-BPCQOVAHSA-N 1 2 282.384 1.751 20 30 CDEDLO C#Cc1cc(Nc2cnc3c(c2)OCCN3C)cc[nH+]1 ZINC001203482916 912761397 /nfs/dbraw/zinc/76/13/97/912761397.db2.gz CIODXIIPXPZMNC-UHFFFAOYSA-N 1 2 266.304 1.452 20 30 CDEDLO CC[NH+]1CC(Oc2ccc(/C=N/O)cc2OC)C1 ZINC001233799575 913050359 /nfs/dbraw/zinc/05/03/59/913050359.db2.gz LQGQULZTKNZZOE-VGOFMYFVSA-N 1 2 250.298 1.586 20 30 CDEDLO N#Cc1ccccc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001174491205 913162610 /nfs/dbraw/zinc/16/26/10/913162610.db2.gz CENBUNIPFXBOGJ-UHFFFAOYSA-N 1 2 297.362 1.831 20 30 CDEDLO C=CC[NH2+]C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001106154783 913441768 /nfs/dbraw/zinc/44/17/68/913441768.db2.gz LAVOCBULWZBLSY-OPRDCNLKSA-N 1 2 282.281 1.757 20 30 CDEDLO C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C ZINC001106154783 913441777 /nfs/dbraw/zinc/44/17/77/913441777.db2.gz LAVOCBULWZBLSY-OPRDCNLKSA-N 1 2 282.281 1.757 20 30 CDEDLO Cc1nc(NCC[C@H](C)NC(=O)C#CC2CC2)cc[nH+]1 ZINC001106301713 913830725 /nfs/dbraw/zinc/83/07/25/913830725.db2.gz PQASOBGYHHIYKR-NSHDSACASA-N 1 2 272.352 1.505 20 30 CDEDLO Cc1cc(C#N)cc(NC2CN(c3cccc[nH+]3)C2)n1 ZINC001161325809 895734772 /nfs/dbraw/zinc/73/47/72/895734772.db2.gz INDTWKRWUJYGTQ-UHFFFAOYSA-N 1 2 265.320 1.957 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cncnc1 ZINC001480970749 898408942 /nfs/dbraw/zinc/40/89/42/898408942.db2.gz AXLJLVDCTIFCBD-UHFFFAOYSA-N 1 2 268.748 1.281 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cncnc1 ZINC001480970749 898408953 /nfs/dbraw/zinc/40/89/53/898408953.db2.gz AXLJLVDCTIFCBD-UHFFFAOYSA-N 1 2 268.748 1.281 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)COC(C)C)C[C@@H]21 ZINC001176962488 914400819 /nfs/dbraw/zinc/40/08/19/914400819.db2.gz JBVJGNBRAKIDET-LSDHHAIUSA-N 1 2 296.411 1.289 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)COC(C)C)C[C@@H]21 ZINC001176962488 914400827 /nfs/dbraw/zinc/40/08/27/914400827.db2.gz JBVJGNBRAKIDET-LSDHHAIUSA-N 1 2 296.411 1.289 20 30 CDEDLO C#CCOCCC(=O)N(CC)CCNc1cc[nH+]c(C)n1 ZINC001106852373 914435604 /nfs/dbraw/zinc/43/56/04/914435604.db2.gz CPUHWOKKSPZWBT-UHFFFAOYSA-N 1 2 290.367 1.085 20 30 CDEDLO C=C(Cl)C[NH2+][C@H](CC)CNC(=O)c1[nH]nc2c1CCC2 ZINC001481828632 902183234 /nfs/dbraw/zinc/18/32/34/902183234.db2.gz WKTPQHOEKVWCKK-SNVBAGLBSA-N 1 2 296.802 1.749 20 30 CDEDLO C#CCCCC(=O)N(C)CCN(C)c1cc[nH+]c(C)n1 ZINC001105378794 904151841 /nfs/dbraw/zinc/15/18/41/904151841.db2.gz OFYKTVWKDFRKGS-UHFFFAOYSA-N 1 2 274.368 1.483 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnon2)[C@H]1CC ZINC001087769227 905835160 /nfs/dbraw/zinc/83/51/60/905835160.db2.gz SJBSYCZELYGABF-GXSJLCMTSA-N 1 2 284.747 1.405 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnon2)[C@H]1CC ZINC001087769227 905835167 /nfs/dbraw/zinc/83/51/67/905835167.db2.gz SJBSYCZELYGABF-GXSJLCMTSA-N 1 2 284.747 1.405 20 30 CDEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C3(C)CC3)c2C1 ZINC001128362631 921280629 /nfs/dbraw/zinc/28/06/29/921280629.db2.gz HPUDABMWXQJMOB-UHFFFAOYSA-N 1 2 288.395 1.691 20 30 CDEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C3(C)CC3)c2C1 ZINC001128362631 921280634 /nfs/dbraw/zinc/28/06/34/921280634.db2.gz HPUDABMWXQJMOB-UHFFFAOYSA-N 1 2 288.395 1.691 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ncccc1F ZINC001482638372 908099968 /nfs/dbraw/zinc/09/99/68/908099968.db2.gz RABGJNGTQGETDQ-UHFFFAOYSA-N 1 2 285.750 1.977 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ncccc1F ZINC001482638372 908099984 /nfs/dbraw/zinc/09/99/84/908099984.db2.gz RABGJNGTQGETDQ-UHFFFAOYSA-N 1 2 285.750 1.977 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2cnnn2CC)C1 ZINC001189280050 921397472 /nfs/dbraw/zinc/39/74/72/921397472.db2.gz PUELIWMXOUTODB-ZDUSSCGKSA-N 1 2 291.399 1.297 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)Cc2cnnn2CC)C1 ZINC001189280050 921397484 /nfs/dbraw/zinc/39/74/84/921397484.db2.gz PUELIWMXOUTODB-ZDUSSCGKSA-N 1 2 291.399 1.297 20 30 CDEDLO C#CCCCC(=O)NCCCNc1cc[nH+]c(C)n1 ZINC001094383711 910591336 /nfs/dbraw/zinc/59/13/36/910591336.db2.gz WQNAPYGJABUZSU-UHFFFAOYSA-N 1 2 260.341 1.507 20 30 CDEDLO CC[C@@H](C)OCC[C@H](C)[NH2+][C@@H](CS)C(=O)OC ZINC001172318902 911558824 /nfs/dbraw/zinc/55/88/24/911558824.db2.gz MLTNHLNGYSZHCM-AXFHLTTASA-N 1 2 263.403 1.641 20 30 CDEDLO C=C[C@@H]1C[C@]1([NH2+][C@H](C)CCOCC)C(=O)OCC ZINC001172418091 911646802 /nfs/dbraw/zinc/64/68/02/911646802.db2.gz BGMJYSZPFYNTTM-YRGRVCCFSA-N 1 2 255.358 1.899 20 30 CDEDLO C#Cc1cccnc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212664547 911722795 /nfs/dbraw/zinc/72/27/95/911722795.db2.gz SAYXDQCDKGAGNN-UHFFFAOYSA-N 1 2 279.343 1.983 20 30 CDEDLO Cc1ccc2c(c1)C[C@@H](N1CC[NH2+]C[C@H]1C#N)CC2 ZINC001172827083 912003492 /nfs/dbraw/zinc/00/34/92/912003492.db2.gz JIYHWVWIXFOVPZ-JKSUJKDBSA-N 1 2 255.365 1.650 20 30 CDEDLO Cc1ncc(C#N)cc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177921615 915037029 /nfs/dbraw/zinc/03/70/29/915037029.db2.gz HTDUXWVWDLDCRW-SNVBAGLBSA-N 1 2 255.281 1.658 20 30 CDEDLO CNc1ccc(C#N)cc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177927313 915052810 /nfs/dbraw/zinc/05/28/10/915052810.db2.gz WELGWFJTOVVRDZ-SNVBAGLBSA-N 1 2 269.308 1.996 20 30 CDEDLO C#Cc1ccc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC001178118994 915183312 /nfs/dbraw/zinc/18/33/12/915183312.db2.gz HPXHQVIWLODICJ-OAHLLOKOSA-N 1 2 279.343 1.743 20 30 CDEDLO Cc1cc(N[C@H](C)CNC(=O)[C@H](C)C#N)nc(C2CC2)[nH+]1 ZINC001097738877 936362009 /nfs/dbraw/zinc/36/20/09/936362009.db2.gz PCJFTDJXNUWIEF-MWLCHTKSSA-N 1 2 287.367 1.739 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1nnc(C)o1 ZINC001485302605 916812510 /nfs/dbraw/zinc/81/25/10/916812510.db2.gz SOPMBZNDSLWDAK-SECBINFHSA-N 1 2 286.763 1.110 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1nnc(C)o1 ZINC001485302605 916812531 /nfs/dbraw/zinc/81/25/31/916812531.db2.gz SOPMBZNDSLWDAK-SECBINFHSA-N 1 2 286.763 1.110 20 30 CDEDLO N#CCC1(C[NH2+]Cc2n[nH]cc2Br)CC1 ZINC001181314738 916996422 /nfs/dbraw/zinc/99/64/22/916996422.db2.gz HCDPFLCVQQBMGT-UHFFFAOYSA-N 1 2 269.146 1.956 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001124484115 917398475 /nfs/dbraw/zinc/39/84/75/917398475.db2.gz QRQVRSICZDGTEX-ZDUSSCGKSA-N 1 2 295.383 1.478 20 30 CDEDLO CC(C)(C)OC(=O)NC1C[NH+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC001254659942 936438308 /nfs/dbraw/zinc/43/83/08/936438308.db2.gz FFHIRRIRNHIMIU-ZYHUDNBSSA-N 1 2 265.357 1.888 20 30 CDEDLO CC(C)(C)OC(=O)NC1C[NH+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC001254659941 936438505 /nfs/dbraw/zinc/43/85/05/936438505.db2.gz FFHIRRIRNHIMIU-PWSUYJOCSA-N 1 2 265.357 1.888 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(N)nc3)CC2)cc1 ZINC001138165090 936483964 /nfs/dbraw/zinc/48/39/64/936483964.db2.gz HADJKIIASMIEER-UHFFFAOYSA-N 1 2 294.362 1.253 20 30 CDEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCC(=C)C)nn2)C1 ZINC001107175289 918245637 /nfs/dbraw/zinc/24/56/37/918245637.db2.gz HNABMMFXEDOYMX-UHFFFAOYSA-N 1 2 289.383 1.293 20 30 CDEDLO N#Cc1cccnc1NC/C=C\CNC(=O)Cc1c[nH]c[nH+]1 ZINC001107539466 918442305 /nfs/dbraw/zinc/44/23/05/918442305.db2.gz MSSGEGIVAJHGDY-UPHRSURJSA-N 1 2 296.334 1.003 20 30 CDEDLO Cc1ccc(C(=NC(=O)C23CCC[NH+]2CCC3)NO)nc1 ZINC001183559526 918527798 /nfs/dbraw/zinc/52/77/98/918527798.db2.gz COCXWEWMIWQNPE-UHFFFAOYSA-N 1 2 288.351 1.270 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cccc(F)c2)C1 ZINC001107706504 918644353 /nfs/dbraw/zinc/64/43/53/918644353.db2.gz RKYRTFHFXFTUDY-MRXNPFEDSA-N 1 2 292.354 1.832 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cccc(F)c2)C1 ZINC001107706504 918644359 /nfs/dbraw/zinc/64/43/59/918644359.db2.gz RKYRTFHFXFTUDY-MRXNPFEDSA-N 1 2 292.354 1.832 20 30 CDEDLO CN(C)c1ncc(C[N@@H+]2CCc3ccc(C#N)cc3C2)cn1 ZINC001138346768 936523496 /nfs/dbraw/zinc/52/34/96/936523496.db2.gz BIFHNFPUKOSBTD-UHFFFAOYSA-N 1 2 293.374 1.973 20 30 CDEDLO CN(C)c1ncc(C[N@H+]2CCc3ccc(C#N)cc3C2)cn1 ZINC001138346768 936523498 /nfs/dbraw/zinc/52/34/98/936523498.db2.gz BIFHNFPUKOSBTD-UHFFFAOYSA-N 1 2 293.374 1.973 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CC)C1 ZINC001107754886 918741222 /nfs/dbraw/zinc/74/12/22/918741222.db2.gz ZRCVCFDIFQAYGG-DZGCQCFKSA-N 1 2 266.385 1.263 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CC)C1 ZINC001107754886 918741234 /nfs/dbraw/zinc/74/12/34/918741234.db2.gz ZRCVCFDIFQAYGG-DZGCQCFKSA-N 1 2 266.385 1.263 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)CSC)C1 ZINC001107816470 918817297 /nfs/dbraw/zinc/81/72/97/918817297.db2.gz DMKBKCDFENFTSC-OCCSQVGLSA-N 1 2 286.441 1.379 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)CSC)C1 ZINC001107816470 918817308 /nfs/dbraw/zinc/81/73/08/918817308.db2.gz DMKBKCDFENFTSC-OCCSQVGLSA-N 1 2 286.441 1.379 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CC(OCC)C2)C1 ZINC001107917236 919046199 /nfs/dbraw/zinc/04/61/99/919046199.db2.gz WAKXRYSUNAJCOS-XUJLQICISA-N 1 2 296.411 1.195 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CC(OCC)C2)C1 ZINC001107917236 919046214 /nfs/dbraw/zinc/04/62/14/919046214.db2.gz WAKXRYSUNAJCOS-XUJLQICISA-N 1 2 296.411 1.195 20 30 CDEDLO C=CCc1cccc(C[NH+]2CC(OC(C)=O)C2)c1O ZINC001138629022 936552180 /nfs/dbraw/zinc/55/21/80/936552180.db2.gz LJWUHBXNHNISEU-UHFFFAOYSA-N 1 2 261.321 1.868 20 30 CDEDLO Cc1c[nH]c(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)n1 ZINC001138939886 936584092 /nfs/dbraw/zinc/58/40/92/936584092.db2.gz UTKDUJPRJOMLQC-UHFFFAOYSA-N 1 2 296.378 1.697 20 30 CDEDLO Cc1c[nH]c(C[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)n1 ZINC001138939886 936584095 /nfs/dbraw/zinc/58/40/95/936584095.db2.gz UTKDUJPRJOMLQC-UHFFFAOYSA-N 1 2 296.378 1.697 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c3cc[nH]c3ncc2Cl)CC1 ZINC001138952159 936585029 /nfs/dbraw/zinc/58/50/29/936585029.db2.gz MOYUCUDIDWBTKA-UHFFFAOYSA-N 1 2 288.782 1.919 20 30 CDEDLO C#CCN1CC[NH+](Cc2c3cc[nH]c3ncc2Cl)CC1 ZINC001138952159 936585031 /nfs/dbraw/zinc/58/50/31/936585031.db2.gz MOYUCUDIDWBTKA-UHFFFAOYSA-N 1 2 288.782 1.919 20 30 CDEDLO C#CCN1C(=O)COCC12C[NH+](Cc1ccc(C)s1)C2 ZINC001272934766 920466402 /nfs/dbraw/zinc/46/64/02/920466402.db2.gz WCEKEIALLICFSS-UHFFFAOYSA-N 1 2 290.388 1.103 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H]2CCN(C(C)=O)C2)c1 ZINC001188555516 921065479 /nfs/dbraw/zinc/06/54/79/921065479.db2.gz PQVOTRGHOXNFAV-MRXNPFEDSA-N 1 2 299.374 1.159 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H]2CCN(C(C)=O)C2)c1 ZINC001188555516 921065491 /nfs/dbraw/zinc/06/54/91/921065491.db2.gz PQVOTRGHOXNFAV-MRXNPFEDSA-N 1 2 299.374 1.159 20 30 CDEDLO CCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001190684769 922137040 /nfs/dbraw/zinc/13/70/40/922137040.db2.gz LHKJWUNIKXHOAR-HUUCEWRRSA-N 1 2 287.363 1.020 20 30 CDEDLO CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001190684769 922137046 /nfs/dbraw/zinc/13/70/46/922137046.db2.gz LHKJWUNIKXHOAR-HUUCEWRRSA-N 1 2 287.363 1.020 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001108133546 922701867 /nfs/dbraw/zinc/70/18/67/922701867.db2.gz AVRWXXBBHXKBGH-SGMGOOAPSA-N 1 2 252.358 1.036 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001108133546 922701881 /nfs/dbraw/zinc/70/18/81/922701881.db2.gz AVRWXXBBHXKBGH-SGMGOOAPSA-N 1 2 252.358 1.036 20 30 CDEDLO N#Cc1ccc(F)c(-c2noc(Cn3cc[nH+]c3)n2)c1 ZINC001212536512 922715006 /nfs/dbraw/zinc/71/50/06/922715006.db2.gz LIPWAHLGIWKNSP-UHFFFAOYSA-N 1 2 269.239 1.992 20 30 CDEDLO CC#CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ccon2)C1 ZINC001191837802 922790080 /nfs/dbraw/zinc/79/00/80/922790080.db2.gz DKUGIRHBVKYIEU-HNNXBMFYSA-N 1 2 289.379 1.901 20 30 CDEDLO CC#CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccon2)C1 ZINC001191837802 922790092 /nfs/dbraw/zinc/79/00/92/922790092.db2.gz DKUGIRHBVKYIEU-HNNXBMFYSA-N 1 2 289.379 1.901 20 30 CDEDLO N#Cc1c(N)sc(C[N@@H+]2CCOC[C@@H](O)C2)c1Cl ZINC001141107116 936813033 /nfs/dbraw/zinc/81/30/33/936813033.db2.gz QFWQSURRPFDSES-ZETCQYMHSA-N 1 2 287.772 1.048 20 30 CDEDLO N#Cc1c(N)sc(C[N@H+]2CCOC[C@@H](O)C2)c1Cl ZINC001141107116 936813034 /nfs/dbraw/zinc/81/30/34/936813034.db2.gz QFWQSURRPFDSES-ZETCQYMHSA-N 1 2 287.772 1.048 20 30 CDEDLO N#Cc1ccncc1C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001192981218 923358678 /nfs/dbraw/zinc/35/86/78/923358678.db2.gz FQXBRVXLCQHVSV-UHFFFAOYSA-N 1 2 281.319 1.805 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(C)=O)C1 ZINC001079323240 924220940 /nfs/dbraw/zinc/22/09/40/924220940.db2.gz NGSNFNKPBILOHP-GMSGAONNSA-N 1 2 261.163 1.351 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(C)=O)C1 ZINC001079323240 924220947 /nfs/dbraw/zinc/22/09/47/924220947.db2.gz NGSNFNKPBILOHP-GMSGAONNSA-N 1 2 261.163 1.351 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)CCCC(C)=O)CC1 ZINC001194863850 924372825 /nfs/dbraw/zinc/37/28/25/924372825.db2.gz RERAFZBHTNSCSD-UHFFFAOYSA-N 1 2 264.369 1.303 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)CCCC(C)=O)CC1 ZINC001194863850 924372828 /nfs/dbraw/zinc/37/28/28/924372828.db2.gz RERAFZBHTNSCSD-UHFFFAOYSA-N 1 2 264.369 1.303 20 30 CDEDLO CSc1nc(Cl)ncc1N1CC[NH2+]C[C@H]1C#N ZINC001164652412 924960783 /nfs/dbraw/zinc/96/07/83/924960783.db2.gz QZZMVKLOHRISPP-SSDOTTSWSA-N 1 2 269.761 1.154 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)OC)[C@@H]2C1 ZINC001084218060 925192181 /nfs/dbraw/zinc/19/21/81/925192181.db2.gz GLUOHBBLNPLCEZ-IJLUTSLNSA-N 1 2 272.776 1.307 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)OC)[C@@H]2C1 ZINC001084218060 925192186 /nfs/dbraw/zinc/19/21/86/925192186.db2.gz GLUOHBBLNPLCEZ-IJLUTSLNSA-N 1 2 272.776 1.307 20 30 CDEDLO Cc1cnccc1C[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001205862627 925679241 /nfs/dbraw/zinc/67/92/41/925679241.db2.gz IGCUHRRIRXETKM-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110531542 925695846 /nfs/dbraw/zinc/69/58/46/925695846.db2.gz CSVOBYSZFNVOPZ-MCIONIFRSA-N 1 2 278.783 1.874 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110531542 925695854 /nfs/dbraw/zinc/69/58/54/925695854.db2.gz CSVOBYSZFNVOPZ-MCIONIFRSA-N 1 2 278.783 1.874 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)N1CCc2c1cccc2C#N ZINC001142644089 937045330 /nfs/dbraw/zinc/04/53/30/937045330.db2.gz FMIOKEHHFLHRFX-UHFFFAOYSA-N 1 2 266.304 1.424 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(Cl)c(O)c2)C1 ZINC001154959817 926174505 /nfs/dbraw/zinc/17/45/05/926174505.db2.gz YNPQCPWKRAURRG-LBPRGKRZSA-N 1 2 292.766 1.873 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)c(O)c2)C1 ZINC001154959817 926174511 /nfs/dbraw/zinc/17/45/11/926174511.db2.gz YNPQCPWKRAURRG-LBPRGKRZSA-N 1 2 292.766 1.873 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1n[nH]c(CC)c1Cl ZINC001085646009 926244939 /nfs/dbraw/zinc/24/49/39/926244939.db2.gz NGNUQPPVAXFFJP-JTQLQIEISA-N 1 2 294.786 1.405 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1n[nH]c(CC)c1Cl ZINC001085646009 926244948 /nfs/dbraw/zinc/24/49/48/926244948.db2.gz NGNUQPPVAXFFJP-JTQLQIEISA-N 1 2 294.786 1.405 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c[nH]ccc-2n1 ZINC001085672786 926270510 /nfs/dbraw/zinc/27/05/10/926270510.db2.gz HPGKJVLBGWJDDL-CYBMUJFWSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c[nH]ccc-2n1 ZINC001085672786 926270519 /nfs/dbraw/zinc/27/05/19/926270519.db2.gz HPGKJVLBGWJDDL-CYBMUJFWSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001085691045 926288428 /nfs/dbraw/zinc/28/84/28/926288428.db2.gz WDVCCBTZDDEJBB-GFCCVEGCSA-N 1 2 288.395 1.487 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001085691045 926288437 /nfs/dbraw/zinc/28/84/37/926288437.db2.gz WDVCCBTZDDEJBB-GFCCVEGCSA-N 1 2 288.395 1.487 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(OC)cs1 ZINC001085759963 926368698 /nfs/dbraw/zinc/36/86/98/926368698.db2.gz WAQBXZGMXKPQJP-NSHDSACASA-N 1 2 278.377 1.536 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(OC)cs1 ZINC001085759963 926368708 /nfs/dbraw/zinc/36/87/08/926368708.db2.gz WAQBXZGMXKPQJP-NSHDSACASA-N 1 2 278.377 1.536 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1coc(C(F)F)c1 ZINC001085785682 926398108 /nfs/dbraw/zinc/39/81/08/926398108.db2.gz WLKAINXVXLRPKY-LLVKDONJSA-N 1 2 282.290 1.997 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1coc(C(F)F)c1 ZINC001085785682 926398116 /nfs/dbraw/zinc/39/81/16/926398116.db2.gz WLKAINXVXLRPKY-LLVKDONJSA-N 1 2 282.290 1.997 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ocnc1C1CC1 ZINC001085814719 926421362 /nfs/dbraw/zinc/42/13/62/926421362.db2.gz DNOBCYSZKCXLPF-LBPRGKRZSA-N 1 2 273.336 1.332 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ocnc1C1CC1 ZINC001085814719 926421367 /nfs/dbraw/zinc/42/13/67/926421367.db2.gz DNOBCYSZKCXLPF-LBPRGKRZSA-N 1 2 273.336 1.332 20 30 CDEDLO Cc1nc(N2CC[C@@H](N(C)C(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001102708144 937081678 /nfs/dbraw/zinc/08/16/78/937081678.db2.gz LKCKMGRBAMJKPT-CQSZACIVSA-N 1 2 286.379 1.482 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1csc(C)c1 ZINC001085875341 926471712 /nfs/dbraw/zinc/47/17/12/926471712.db2.gz YICAYHJIUHCIHF-ZDUSSCGKSA-N 1 2 262.378 1.836 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1csc(C)c1 ZINC001085875341 926471715 /nfs/dbraw/zinc/47/17/15/926471715.db2.gz YICAYHJIUHCIHF-ZDUSSCGKSA-N 1 2 262.378 1.836 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(C)[nH]c2C)C1 ZINC001108246492 926769301 /nfs/dbraw/zinc/76/93/01/926769301.db2.gz NYQIJHARHSUKBW-INIZCTEOSA-N 1 2 291.395 1.638 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(C)[nH]c2C)C1 ZINC001108246492 926769309 /nfs/dbraw/zinc/76/93/09/926769309.db2.gz NYQIJHARHSUKBW-INIZCTEOSA-N 1 2 291.395 1.638 20 30 CDEDLO CC[C@@H](CNC(=O)[C@@H](C)C#N)Nc1cc[nH+]c(C)n1 ZINC001103029243 937114872 /nfs/dbraw/zinc/11/48/72/937114872.db2.gz PMGMAYHEVRRVGT-ONGXEEELSA-N 1 2 261.329 1.251 20 30 CDEDLO C=CCCOCC(=O)NC[C@H](CC)Nc1cc[nH+]c(C)n1 ZINC001103114791 937122951 /nfs/dbraw/zinc/12/29/51/937122951.db2.gz TUIDNFPQWPXAFT-ZDUSSCGKSA-N 1 2 292.383 1.684 20 30 CDEDLO C=CCN1CC[NH+](Cc2cc3cccnc3[nH]2)CC1 ZINC001143219963 937138531 /nfs/dbraw/zinc/13/85/31/937138531.db2.gz CYDXAIXHHNNMKH-UHFFFAOYSA-N 1 2 256.353 1.867 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)/C(C)=C\C)C1 ZINC001149480782 937184357 /nfs/dbraw/zinc/18/43/57/937184357.db2.gz CBSQRBWGXZACAE-XFVCYKSVSA-N 1 2 286.803 1.912 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)/C(C)=C\C)C1 ZINC001149480782 937184359 /nfs/dbraw/zinc/18/43/59/937184359.db2.gz CBSQRBWGXZACAE-XFVCYKSVSA-N 1 2 286.803 1.912 20 30 CDEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cnon1)C2 ZINC001111650464 937214665 /nfs/dbraw/zinc/21/46/65/937214665.db2.gz SPGAZOYWFLXFCC-WFASDCNBSA-N 1 2 290.367 1.507 20 30 CDEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cnon1)C2 ZINC001111650464 937214667 /nfs/dbraw/zinc/21/46/67/937214667.db2.gz SPGAZOYWFLXFCC-WFASDCNBSA-N 1 2 290.367 1.507 20 30 CDEDLO C[N@@H+]1CCOC[C@H]1CNc1cc(C#N)c(Cl)cn1 ZINC001169650261 928278373 /nfs/dbraw/zinc/27/83/73/928278373.db2.gz XMLSHNKCFDJGDJ-SNVBAGLBSA-N 1 2 266.732 1.349 20 30 CDEDLO C[N@H+]1CCOC[C@H]1CNc1cc(C#N)c(Cl)cn1 ZINC001169650261 928278387 /nfs/dbraw/zinc/27/83/87/928278387.db2.gz XMLSHNKCFDJGDJ-SNVBAGLBSA-N 1 2 266.732 1.349 20 30 CDEDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc(C2(C#N)CC2)cn1 ZINC001169650983 928282993 /nfs/dbraw/zinc/28/29/93/928282993.db2.gz JLSILMMZUVIZBH-ZDUSSCGKSA-N 1 2 272.352 1.379 20 30 CDEDLO C[N@H+]1CCOC[C@@H]1CNc1ccc(C2(C#N)CC2)cn1 ZINC001169650983 928283005 /nfs/dbraw/zinc/28/30/05/928283005.db2.gz JLSILMMZUVIZBH-ZDUSSCGKSA-N 1 2 272.352 1.379 20 30 CDEDLO C=CCOC[C@@H](O)C[N@@H+](CC)CC(=O)OC(C)(C)C ZINC001252471553 928521039 /nfs/dbraw/zinc/52/10/39/928521039.db2.gz YIBCJKIGBQMEIH-LBPRGKRZSA-N 1 2 273.373 1.214 20 30 CDEDLO C=CCOC[C@@H](O)C[N@H+](CC)CC(=O)OC(C)(C)C ZINC001252471553 928521047 /nfs/dbraw/zinc/52/10/47/928521047.db2.gz YIBCJKIGBQMEIH-LBPRGKRZSA-N 1 2 273.373 1.214 20 30 CDEDLO Cc1nc(N[C@@H](C)CN(C)C(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001115684311 937411725 /nfs/dbraw/zinc/41/17/25/937411725.db2.gz SPEWYMUYWXJKKF-JTQLQIEISA-N 1 2 298.350 1.557 20 30 CDEDLO CC[N@H+](Cc1ncc(C)o1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207645 937429304 /nfs/dbraw/zinc/42/93/04/937429304.db2.gz NIZFHWJPGKGMMJ-CYBMUJFWSA-N 1 2 291.395 1.969 20 30 CDEDLO CC[N@@H+](Cc1ncc(C)o1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207645 937429305 /nfs/dbraw/zinc/42/93/05/937429305.db2.gz NIZFHWJPGKGMMJ-CYBMUJFWSA-N 1 2 291.395 1.969 20 30 CDEDLO C=CCn1cnn(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1=S ZINC001116349375 937442951 /nfs/dbraw/zinc/44/29/51/937442951.db2.gz DSTPBVXVNCZIHJ-QWHCGFSZSA-N 1 2 294.424 1.916 20 30 CDEDLO C=CCn1cnn(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1=S ZINC001116349375 937442953 /nfs/dbraw/zinc/44/29/53/937442953.db2.gz DSTPBVXVNCZIHJ-QWHCGFSZSA-N 1 2 294.424 1.916 20 30 CDEDLO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)c1cncc2nc[nH]c21 ZINC001153471950 937447764 /nfs/dbraw/zinc/44/77/64/937447764.db2.gz SHZMKZNFYWVUDL-GFCCVEGCSA-N 1 2 299.378 1.421 20 30 CDEDLO C#CCC[N@H+](CC)[C@H](C)CNC(=O)c1cncc2nc[nH]c21 ZINC001153471950 937447765 /nfs/dbraw/zinc/44/77/65/937447765.db2.gz SHZMKZNFYWVUDL-GFCCVEGCSA-N 1 2 299.378 1.421 20 30 CDEDLO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](CCC#N)CC2 ZINC001274031213 931130848 /nfs/dbraw/zinc/13/08/48/931130848.db2.gz KKHLUMOGSGNZCB-ZDUSSCGKSA-N 1 2 261.369 1.694 20 30 CDEDLO C=C(C)CN1C[C@]2(CCN(c3cccc[nH+]3)C2)OCC1=O ZINC001274739631 931563512 /nfs/dbraw/zinc/56/35/12/931563512.db2.gz MAVWKBBSNWSLAA-MRXNPFEDSA-N 1 2 287.363 1.465 20 30 CDEDLO COc1cc(C(=O)N2CC3(CC[N@@H+]3C)C2)ccc1C#N ZINC001275711277 931972518 /nfs/dbraw/zinc/97/25/18/931972518.db2.gz VLTJQSBTCCGIPO-UHFFFAOYSA-N 1 2 271.320 1.097 20 30 CDEDLO COc1cc(C(=O)N2CC3(CC[N@H+]3C)C2)ccc1C#N ZINC001275711277 931972522 /nfs/dbraw/zinc/97/25/22/931972522.db2.gz VLTJQSBTCCGIPO-UHFFFAOYSA-N 1 2 271.320 1.097 20 30 CDEDLO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(C#N)c1O)C2 ZINC001275735059 931986876 /nfs/dbraw/zinc/98/68/76/931986876.db2.gz ZGHOHYRTCHPONE-QGZVFWFLSA-N 1 2 299.374 1.822 20 30 CDEDLO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(C#N)c1O)C2 ZINC001275735059 931986880 /nfs/dbraw/zinc/98/68/80/931986880.db2.gz ZGHOHYRTCHPONE-QGZVFWFLSA-N 1 2 299.374 1.822 20 30 CDEDLO Cc1nc(N[C@H]2C[C@@H](CNC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001091342303 932109031 /nfs/dbraw/zinc/10/90/31/932109031.db2.gz OXWIBPQIIOYFLE-OKILXGFUSA-N 1 2 284.363 1.505 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CC[C@@H]2CCCO2)CC1 ZINC001313442905 932114056 /nfs/dbraw/zinc/11/40/56/932114056.db2.gz GPGRBQLCQIQYAV-ZDUSSCGKSA-N 1 2 252.358 1.276 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1nonc1C ZINC001154620929 937567624 /nfs/dbraw/zinc/56/76/24/937567624.db2.gz WQTDDIWSWQMLFQ-LLVKDONJSA-N 1 2 294.399 1.917 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nonc1C ZINC001154620929 937567626 /nfs/dbraw/zinc/56/76/26/937567626.db2.gz WQTDDIWSWQMLFQ-LLVKDONJSA-N 1 2 294.399 1.917 20 30 CDEDLO C#CCCCCC(=O)NCCCN(C)c1cc[nH+]c(C)n1 ZINC001095522090 932686281 /nfs/dbraw/zinc/68/62/81/932686281.db2.gz DUTLRISJPGIVCD-UHFFFAOYSA-N 1 2 288.395 1.921 20 30 CDEDLO Cc1[nH+]c(NCCN2CCCCO2)ccc1CC#N ZINC001155003851 937620765 /nfs/dbraw/zinc/62/07/65/937620765.db2.gz ZYGCPVQTOSLPID-UHFFFAOYSA-N 1 2 260.341 1.895 20 30 CDEDLO Cc1onc(CC(=O)Nc2ccc(C)[nH+]c2N(C)C)c1C#N ZINC000779533893 934597794 /nfs/dbraw/zinc/59/77/94/934597794.db2.gz JHXPKLFGERMNFN-UHFFFAOYSA-N 1 2 299.334 1.805 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CC[C@@H](C)[C@@H]2C)c1=S ZINC000247088197 934861987 /nfs/dbraw/zinc/86/19/87/934861987.db2.gz VQDHMOVRHADKJQ-ZJUUUORDSA-N 1 2 253.375 1.683 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c1=S ZINC000247088197 934861991 /nfs/dbraw/zinc/86/19/91/934861991.db2.gz VQDHMOVRHADKJQ-ZJUUUORDSA-N 1 2 253.375 1.683 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc(C)c[nH]1)C2 ZINC001096134533 935979909 /nfs/dbraw/zinc/97/99/09/935979909.db2.gz GJTXZNMEKIDQIA-WOPDTQHZSA-N 1 2 294.786 1.806 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc(C)c[nH]1)C2 ZINC001096134533 935979911 /nfs/dbraw/zinc/97/99/11/935979911.db2.gz GJTXZNMEKIDQIA-WOPDTQHZSA-N 1 2 294.786 1.806 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH2+][C@@H]1CCCOC1)[C@@H](C)CC ZINC001254364368 936302973 /nfs/dbraw/zinc/30/29/73/936302973.db2.gz SLYZFLBSUFNDGM-XQQFMLRXSA-N 1 2 255.358 1.899 20 30 CDEDLO N#Cc1c[nH]c2cc[nH+]c(NCCCc3c[nH][nH]c3=O)c12 ZINC001156284398 938346947 /nfs/dbraw/zinc/34/69/47/938346947.db2.gz HWXYHGCSZICGKV-VIFPVBQESA-N 1 2 282.307 1.358 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1cc(F)cc2ncnc(Cl)c21 ZINC001156327870 938353111 /nfs/dbraw/zinc/35/31/11/938353111.db2.gz PYVJWPMVDHLDIM-VIFPVBQESA-N 1 2 291.717 1.724 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)NCc3ccnc(C#N)c3)ccn12 ZINC001156661657 938403215 /nfs/dbraw/zinc/40/32/15/938403215.db2.gz BVVPITOUOJDSSW-UHFFFAOYSA-N 1 2 291.314 1.839 20 30 CDEDLO C=C(C)C(=O)NCCCNc1cc(N(C)C)nc[nH+]1 ZINC001156821856 938422294 /nfs/dbraw/zinc/42/22/94/938422294.db2.gz NMMGTDMURUNDAE-UHFFFAOYSA-N 1 2 263.345 1.037 20 30 CDEDLO C=C(C)C(=O)NCCCNc1cc(N(C)C)[nH+]cn1 ZINC001156821856 938422296 /nfs/dbraw/zinc/42/22/96/938422296.db2.gz NMMGTDMURUNDAE-UHFFFAOYSA-N 1 2 263.345 1.037 20 30 CDEDLO C=C(C)C(=O)OCCNc1ccc(Cl)c(N)[nH+]1 ZINC001157308740 938478555 /nfs/dbraw/zinc/47/85/55/938478555.db2.gz XNZYFBMWNPBBPE-UHFFFAOYSA-N 1 2 255.705 1.848 20 30 CDEDLO C=C(C)C(=O)OCCNc1cc(CC(=O)OCC)cc[nH+]1 ZINC001157308717 938478797 /nfs/dbraw/zinc/47/87/97/938478797.db2.gz WWKORUSEVYAEPZ-UHFFFAOYSA-N 1 2 292.335 1.718 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1cnc(C#N)c(C)n1 ZINC001157462435 938496418 /nfs/dbraw/zinc/49/64/18/938496418.db2.gz IFGZBMFUENQKGF-UHFFFAOYSA-N 1 2 256.313 1.380 20 30 CDEDLO Cc1nc(C#N)cc(NCCc2cn3ccccc3[nH+]2)n1 ZINC001158148603 938587477 /nfs/dbraw/zinc/58/74/77/938587477.db2.gz WQULPOPSRVRTHA-UHFFFAOYSA-N 1 2 278.319 1.959 20 30 CDEDLO O=C(/C=C\c1ccc(F)cc1)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001158860624 938671592 /nfs/dbraw/zinc/67/15/92/938671592.db2.gz HCXAMTGDSAOYML-RJNRQISESA-N 1 2 299.305 1.346 20 30 CDEDLO Cc1nc([C@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)no1 ZINC001649840003 1169420652 /nfs/dbraw/zinc/42/06/52/1169420652.db2.gz AIAOYEIHEHYNMD-ZANVPECISA-N 1 2 272.308 1.634 20 30 CDEDLO N#Cc1cnc(Cl)nc1NC1CN(c2cccc[nH+]2)C1 ZINC001161319227 938888423 /nfs/dbraw/zinc/88/84/23/938888423.db2.gz LOQQZFMDVSCMIS-UHFFFAOYSA-N 1 2 286.726 1.119 20 30 CDEDLO CC(C)n1c[nH+]cc1CNc1cnc(C#N)c(C#N)n1 ZINC001161569458 938913971 /nfs/dbraw/zinc/91/39/71/938913971.db2.gz MPYRZJCIPQNMDG-UHFFFAOYSA-N 1 2 267.296 1.609 20 30 CDEDLO C#CCCCNc1[nH+]cnc2[nH]cc([S@](C)=O)c21 ZINC001162438889 939053568 /nfs/dbraw/zinc/05/35/68/939053568.db2.gz CGNZSRPBZREHIH-SFHVURJKSA-N 1 2 262.338 1.472 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1c1cc(Cl)cc(Cl)n1 ZINC001164627154 939500226 /nfs/dbraw/zinc/50/02/26/939500226.db2.gz QRDQVDYOKZPDQD-MRVPVSSYSA-N 1 2 257.124 1.690 20 30 CDEDLO C[N@H+](C1COC1)C1CN(Cc2ccccc2C#N)C1 ZINC001204371112 939761184 /nfs/dbraw/zinc/76/11/84/939761184.db2.gz DATCSZIUUCYLGQ-UHFFFAOYSA-N 1 2 257.337 1.073 20 30 CDEDLO C[N@@H+](C1COC1)C1CN(Cc2ccccc2C#N)C1 ZINC001204371112 939761188 /nfs/dbraw/zinc/76/11/88/939761188.db2.gz DATCSZIUUCYLGQ-UHFFFAOYSA-N 1 2 257.337 1.073 20 30 CDEDLO Cc1nn(C)cc1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001204577255 939776698 /nfs/dbraw/zinc/77/66/98/939776698.db2.gz UKBLZPPKBJFIJU-LBPRGKRZSA-N 1 2 263.366 1.503 20 30 CDEDLO C=CCn1cc(C[N@H+]2CC[C@@](N)(C(F)(F)F)C2)cn1 ZINC001206229836 940002964 /nfs/dbraw/zinc/00/29/64/940002964.db2.gz SFLITDFRNFBDJM-NSHDSACASA-N 1 2 274.290 1.535 20 30 CDEDLO C=CCn1cc(C[N@@H+]2CC[C@@](N)(C(F)(F)F)C2)cn1 ZINC001206229836 940002966 /nfs/dbraw/zinc/00/29/66/940002966.db2.gz SFLITDFRNFBDJM-NSHDSACASA-N 1 2 274.290 1.535 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@](N)(C(F)(F)F)C2)c1 ZINC001206243259 940004639 /nfs/dbraw/zinc/00/46/39/940004639.db2.gz BTAADYBLLHCGRO-GFCCVEGCSA-N 1 2 285.269 1.729 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@](N)(C(F)(F)F)C2)c1 ZINC001206243259 940004642 /nfs/dbraw/zinc/00/46/42/940004642.db2.gz BTAADYBLLHCGRO-GFCCVEGCSA-N 1 2 285.269 1.729 20 30 CDEDLO Cc1ccnc(N2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)n1 ZINC001207109212 940150888 /nfs/dbraw/zinc/15/08/88/940150888.db2.gz UTZYQESVTHIEJG-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO CCCCCCCCS(=O)(=O)N1CC[NH2+][C@H]2C[C@H]21 ZINC001239056048 945312760 /nfs/dbraw/zinc/31/27/60/945312760.db2.gz COJOCHYPIRRAQG-QWHCGFSZSA-N 1 2 274.430 1.723 20 30 CDEDLO C=CCCC[NH+]1CC2(C1)[C@H](CF)CCS2(=O)=O ZINC001209162919 940441845 /nfs/dbraw/zinc/44/18/45/940441845.db2.gz ORATUTUYFRKEEI-NSHDSACASA-N 1 2 261.362 1.411 20 30 CDEDLO C[C@@H](OCC[NH+]1CCOCC1)c1ccccc1C#N ZINC001210224601 940672758 /nfs/dbraw/zinc/67/27/58/940672758.db2.gz CDZQTDSQTGGVJA-CYBMUJFWSA-N 1 2 260.337 1.968 20 30 CDEDLO C#Cc1cc(Nc2cc(F)c(C(N)=O)c(F)c2)cc[nH+]1 ZINC001214910090 940845060 /nfs/dbraw/zinc/84/50/60/940845060.db2.gz OGTDNLZIJGGVOU-UHFFFAOYSA-N 1 2 273.242 1.606 20 30 CDEDLO CC[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1noc(C)n1 ZINC001473368665 970783638 /nfs/dbraw/zinc/78/36/38/970783638.db2.gz UBEDIWDISVXICB-LLVKDONJSA-N 1 2 279.344 1.181 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)C(C)(C)C)[C@H]2C1 ZINC001219008323 941300500 /nfs/dbraw/zinc/30/05/00/941300500.db2.gz CPFNKMUMJSHIMP-SOUVJXGZSA-N 1 2 292.423 1.604 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)C(C)(C)C)[C@H]2C1 ZINC001219008323 941300503 /nfs/dbraw/zinc/30/05/03/941300503.db2.gz CPFNKMUMJSHIMP-SOUVJXGZSA-N 1 2 292.423 1.604 20 30 CDEDLO C=CCCC(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001226528078 942020311 /nfs/dbraw/zinc/02/03/11/942020311.db2.gz UNEXHLJONNTXSC-UHFFFAOYSA-N 1 2 274.368 1.523 20 30 CDEDLO Cc1ccc(C#N)cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001226876949 942086358 /nfs/dbraw/zinc/08/63/58/942086358.db2.gz GAPQNGVUVJCXSG-NQPNPBMCSA-N 1 2 270.332 1.858 20 30 CDEDLO Cc1ccc(C#N)cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001226876949 942086363 /nfs/dbraw/zinc/08/63/63/942086363.db2.gz GAPQNGVUVJCXSG-NQPNPBMCSA-N 1 2 270.332 1.858 20 30 CDEDLO C=CCNC(=O)N1CC2(C1)C[NH+](Cc1scnc1C)C2 ZINC001277173757 942113380 /nfs/dbraw/zinc/11/33/80/942113380.db2.gz ILGADRIPXPGFLX-UHFFFAOYSA-N 1 2 292.408 1.465 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cn4ccccc4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227947712 942247326 /nfs/dbraw/zinc/24/73/26/942247326.db2.gz RVYFOROBPIIWRI-RBRDRRMGSA-N 1 2 271.320 1.326 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cn4ccccc4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227947712 942247331 /nfs/dbraw/zinc/24/73/31/942247331.db2.gz RVYFOROBPIIWRI-RBRDRRMGSA-N 1 2 271.320 1.326 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CC1CC1 ZINC001230595214 942652931 /nfs/dbraw/zinc/65/29/31/942652931.db2.gz NRSKCBSKOQVJQK-JSGCOSHPSA-N 1 2 293.411 1.010 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC1CC1 ZINC001230595214 942652934 /nfs/dbraw/zinc/65/29/34/942652934.db2.gz NRSKCBSKOQVJQK-JSGCOSHPSA-N 1 2 293.411 1.010 20 30 CDEDLO CC[C@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001230810108 942705587 /nfs/dbraw/zinc/70/55/87/942705587.db2.gz JKOWZMYHGJDZOI-KBPBESRZSA-N 1 2 266.385 1.215 20 30 CDEDLO CC[C@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001230810108 942705592 /nfs/dbraw/zinc/70/55/92/942705592.db2.gz JKOWZMYHGJDZOI-KBPBESRZSA-N 1 2 266.385 1.215 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc4n[nH]cc4c(F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230932211 942736476 /nfs/dbraw/zinc/73/64/76/942736476.db2.gz WNMGSFFHHUHVRP-ZJJIKIGVSA-N 1 2 289.310 1.693 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc4n[nH]cc4c(F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230932211 942736478 /nfs/dbraw/zinc/73/64/78/942736478.db2.gz WNMGSFFHHUHVRP-ZJJIKIGVSA-N 1 2 289.310 1.693 20 30 CDEDLO Cc1[nH]c(CN2CC(Oc3ccccc3C#N)C2)c[nH+]1 ZINC001232467501 943286597 /nfs/dbraw/zinc/28/65/97/943286597.db2.gz GZHJITIBOYCROD-UHFFFAOYSA-N 1 2 268.320 1.853 20 30 CDEDLO Cc1[nH]cc(CN2CC(Oc3ccccc3C#N)C2)[nH+]1 ZINC001232467501 943286603 /nfs/dbraw/zinc/28/66/03/943286603.db2.gz GZHJITIBOYCROD-UHFFFAOYSA-N 1 2 268.320 1.853 20 30 CDEDLO N#Cc1ccnc(C[N@H+]2CCCN(C(=O)C3CCC3)CC2)c1 ZINC001232481083 943295459 /nfs/dbraw/zinc/29/54/59/943295459.db2.gz UBXGVZAQYLAZEC-UHFFFAOYSA-N 1 2 298.390 1.788 20 30 CDEDLO N#Cc1ccnc(C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)c1 ZINC001232481083 943295462 /nfs/dbraw/zinc/29/54/62/943295462.db2.gz UBXGVZAQYLAZEC-UHFFFAOYSA-N 1 2 298.390 1.788 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)c1 ZINC001232676002 943356937 /nfs/dbraw/zinc/35/69/37/943356937.db2.gz XLPOVIKGELNTKG-XNRPHZJLSA-N 1 2 288.347 1.236 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)c1 ZINC001232676002 943356939 /nfs/dbraw/zinc/35/69/39/943356939.db2.gz XLPOVIKGELNTKG-XNRPHZJLSA-N 1 2 288.347 1.236 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCOC[C@H]2C2CC2)c1 ZINC001232678391 943358766 /nfs/dbraw/zinc/35/87/66/943358766.db2.gz XLPZZIFEJUOJPX-AWEZNQCLSA-N 1 2 258.321 1.875 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCOC[C@H]2C2CC2)c1 ZINC001232678391 943358769 /nfs/dbraw/zinc/35/87/69/943358769.db2.gz XLPZZIFEJUOJPX-AWEZNQCLSA-N 1 2 258.321 1.875 20 30 CDEDLO N#Cc1ccc(O)c(C[NH+]2CCC(N3CCCC3=O)CC2)c1 ZINC001232678342 943360321 /nfs/dbraw/zinc/36/03/21/943360321.db2.gz VVYQFAUPPYHGGQ-UHFFFAOYSA-N 1 2 299.374 1.851 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cccc(O)c2Cl)CC1 ZINC001232789188 943394181 /nfs/dbraw/zinc/39/41/81/943394181.db2.gz YAZVPMWHBXJHJQ-UHFFFAOYSA-N 1 2 264.756 1.796 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(OC)c(C)cc2OC)CC1 ZINC001232835637 943414347 /nfs/dbraw/zinc/41/43/47/943414347.db2.gz GGVGDXDCQANCDZ-UHFFFAOYSA-N 1 2 288.391 1.763 20 30 CDEDLO C#CCN1CC[NH+](Cc2cc(OC)c(C)cc2OC)CC1 ZINC001232835637 943414352 /nfs/dbraw/zinc/41/43/52/943414352.db2.gz GGVGDXDCQANCDZ-UHFFFAOYSA-N 1 2 288.391 1.763 20 30 CDEDLO Cn1cc(C[NH+]2CC3(CN(c4ccncn4)C3)C2)cc1C#N ZINC001277723649 943418779 /nfs/dbraw/zinc/41/87/79/943418779.db2.gz YDLKKIRKUQRLIW-UHFFFAOYSA-N 1 2 294.362 1.009 20 30 CDEDLO CN(C)c1ccc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c(F)c1C#N ZINC001233097592 943490029 /nfs/dbraw/zinc/49/00/29/943490029.db2.gz WVZDVYCQXOOPQJ-JSGCOSHPSA-N 1 2 295.333 1.668 20 30 CDEDLO CN(C)c1ccc(C[N@H+]2CC[C@H](F)[C@@H](O)C2)c(F)c1C#N ZINC001233097592 943490032 /nfs/dbraw/zinc/49/00/32/943490032.db2.gz WVZDVYCQXOOPQJ-JSGCOSHPSA-N 1 2 295.333 1.668 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@H+](Cc2ccc(C#N)cc2O)C1 ZINC001233383671 943570132 /nfs/dbraw/zinc/57/01/32/943570132.db2.gz QLSZNHBUNVEORT-AWEZNQCLSA-N 1 2 278.283 1.351 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccc(C#N)cc2O)C1 ZINC001233383671 943570134 /nfs/dbraw/zinc/57/01/34/943570134.db2.gz QLSZNHBUNVEORT-AWEZNQCLSA-N 1 2 278.283 1.351 20 30 CDEDLO CC[C@@H](SC)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001233695019 943641791 /nfs/dbraw/zinc/64/17/91/943641791.db2.gz QGJPCPMXFKUYKR-UONOGXRCSA-N 1 2 298.452 1.311 20 30 CDEDLO CC[C@@H](SC)C(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001233695019 943641793 /nfs/dbraw/zinc/64/17/93/943641793.db2.gz QGJPCPMXFKUYKR-UONOGXRCSA-N 1 2 298.452 1.311 20 30 CDEDLO N#Cc1ncc(OC2C[NH+](Cc3ccccc3)C2)cn1 ZINC001233707036 943644855 /nfs/dbraw/zinc/64/48/55/943644855.db2.gz FXIAEKIVOROODF-UHFFFAOYSA-N 1 2 266.304 1.611 20 30 CDEDLO COc1cc(CN2CCO[C@H](C#N)C2)ccc1-n1cc[nH+]c1 ZINC001234076169 943733334 /nfs/dbraw/zinc/73/33/34/943733334.db2.gz RPBSUNDOZMRHJW-CQSZACIVSA-N 1 2 298.346 1.605 20 30 CDEDLO Cc1ccc(C[NH+]2CCN(C(N)=O)CC2)cc1C#N ZINC000722154363 943944466 /nfs/dbraw/zinc/94/44/66/943944466.db2.gz WZRZNNWTXPSWDS-UHFFFAOYSA-N 1 2 258.325 1.063 20 30 CDEDLO C[C@]1(CO)CC[N@H+](Cc2c(F)cc(C#N)cc2F)C[C@H]1O ZINC001235650250 944231549 /nfs/dbraw/zinc/23/15/49/944231549.db2.gz DHCZYTZGWMZRHN-HUUCEWRRSA-N 1 2 296.317 1.402 20 30 CDEDLO C[C@]1(CO)CC[N@@H+](Cc2c(F)cc(C#N)cc2F)C[C@H]1O ZINC001235650250 944231554 /nfs/dbraw/zinc/23/15/54/944231554.db2.gz DHCZYTZGWMZRHN-HUUCEWRRSA-N 1 2 296.317 1.402 20 30 CDEDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2CC(=O)c1ccc(C#N)cc1 ZINC001278076243 944712321 /nfs/dbraw/zinc/71/23/21/944712321.db2.gz YJZRXDZJTPQDMW-OKILXGFUSA-N 1 2 255.321 1.129 20 30 CDEDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2CC(=O)c1ccc(C#N)cc1 ZINC001278076243 944712331 /nfs/dbraw/zinc/71/23/31/944712331.db2.gz YJZRXDZJTPQDMW-OKILXGFUSA-N 1 2 255.321 1.129 20 30 CDEDLO Cn1cc(C[NH+]2CC(C)(O)C2)c2cc(C#N)ccc21 ZINC001237466191 944798132 /nfs/dbraw/zinc/79/81/32/944798132.db2.gz KVAQAXCQKUCGNL-UHFFFAOYSA-N 1 2 255.321 1.617 20 30 CDEDLO CCOC(=O)COc1cccc(C[N@H+](C)CCC#N)c1 ZINC001237912414 945004899 /nfs/dbraw/zinc/00/48/99/945004899.db2.gz GQFOEBPMMGUFOP-UHFFFAOYSA-N 1 2 276.336 1.974 20 30 CDEDLO CCOC(=O)COc1cccc(C[N@@H+](C)CCC#N)c1 ZINC001237912414 945004906 /nfs/dbraw/zinc/00/49/06/945004906.db2.gz GQFOEBPMMGUFOP-UHFFFAOYSA-N 1 2 276.336 1.974 20 30 CDEDLO N#Cc1ccc(C[NH+]2CC3(C[C@@H]3C(N)=O)C2)c(F)c1 ZINC001278306487 945670175 /nfs/dbraw/zinc/67/01/75/945670175.db2.gz UURTYEIRNQLEBH-LLVKDONJSA-N 1 2 259.284 1.005 20 30 CDEDLO CCS(=O)(=O)c1cnc(C[NH2+][C@H]2CC[C@@H](C#N)C2)nc1 ZINC001254645264 947568874 /nfs/dbraw/zinc/56/88/74/947568874.db2.gz BEKRUTOSXQEDKW-MNOVXSKESA-N 1 2 294.380 1.052 20 30 CDEDLO COC[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)Cc2nnn(C)c21 ZINC001254658844 947574987 /nfs/dbraw/zinc/57/49/87/947574987.db2.gz JUYBRJSXVTVLIS-SDDRHHMPSA-N 1 2 275.356 1.053 20 30 CDEDLO COC[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)Cc2nnn(C)c21 ZINC001254658844 947574993 /nfs/dbraw/zinc/57/49/93/947574993.db2.gz JUYBRJSXVTVLIS-SDDRHHMPSA-N 1 2 275.356 1.053 20 30 CDEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(c3nccnc3Cl)CC2)C1 ZINC001254660272 947578190 /nfs/dbraw/zinc/57/81/90/947578190.db2.gz HCVIQGKOPSRKSZ-VXGBXAGGSA-N 1 2 291.786 1.944 20 30 CDEDLO N#C[C@@H]1CC[C@@H]([NH+]2CC(N3CCC(F)(F)C3)C2)C1 ZINC001254670692 947585679 /nfs/dbraw/zinc/58/56/79/947585679.db2.gz LFBAFEXQFUTVIG-GHMZBOCLSA-N 1 2 255.312 1.704 20 30 CDEDLO C=CCCNC(=S)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001247632402 948693646 /nfs/dbraw/zinc/69/36/46/948693646.db2.gz FVHZAEFIZIUKIZ-CYBMUJFWSA-N 1 2 277.393 1.985 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc(F)c2)C1 ZINC001250810999 950394717 /nfs/dbraw/zinc/39/47/17/950394717.db2.gz XGRMYEXJLSTKGW-OCCSQVGLSA-N 1 2 278.327 1.801 20 30 CDEDLO N#C[C@H]1CCC[N@H+](C[C@H](O)COc2cccc(F)c2)C1 ZINC001250810999 950394727 /nfs/dbraw/zinc/39/47/27/950394727.db2.gz XGRMYEXJLSTKGW-OCCSQVGLSA-N 1 2 278.327 1.801 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COCC(F)(F)C(F)F ZINC001251549414 950714770 /nfs/dbraw/zinc/71/47/70/950714770.db2.gz AHZOOTISDYOMGH-MRVPVSSYSA-N 1 2 272.242 1.110 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COCC(F)(F)C(F)F ZINC001251549414 950714786 /nfs/dbraw/zinc/71/47/86/950714786.db2.gz AHZOOTISDYOMGH-MRVPVSSYSA-N 1 2 272.242 1.110 20 30 CDEDLO Cc1cnc(C[NH2+][C@@H](C)CNC(=O)c2cc(C#N)c[nH]2)o1 ZINC001480440236 971729033 /nfs/dbraw/zinc/72/90/33/971729033.db2.gz AFSXKBOUPZXBAN-VIFPVBQESA-N 1 2 287.323 1.091 20 30 CDEDLO C=CCOC[C@H](O)CNc1cc[nH+]c(OCC)c1 ZINC001252453095 951292853 /nfs/dbraw/zinc/29/28/53/951292853.db2.gz BSENWWGZDGCIAZ-GFCCVEGCSA-N 1 2 252.314 1.456 20 30 CDEDLO C[C@](O)(C[N@@H+]1CC[C@@H](C#N)C1)C(=O)OCc1ccccc1 ZINC001253636924 952004331 /nfs/dbraw/zinc/00/43/31/952004331.db2.gz WIXRXJJJCJQBIL-HOCLYGCPSA-N 1 2 288.347 1.326 20 30 CDEDLO C[C@](O)(C[N@H+]1CC[C@@H](C#N)C1)C(=O)OCc1ccccc1 ZINC001253636924 952004337 /nfs/dbraw/zinc/00/43/37/952004337.db2.gz WIXRXJJJCJQBIL-HOCLYGCPSA-N 1 2 288.347 1.326 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001480853266 971919538 /nfs/dbraw/zinc/91/95/38/971919538.db2.gz UPNXKKBIMNWDGO-UHFFFAOYSA-N 1 2 266.732 1.300 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001480853266 971919542 /nfs/dbraw/zinc/91/95/42/971919542.db2.gz UPNXKKBIMNWDGO-UHFFFAOYSA-N 1 2 266.732 1.300 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2csc(C#N)c2)CC1 ZINC001324428185 953385405 /nfs/dbraw/zinc/38/54/05/953385405.db2.gz DSDMAMZLOLSKMP-UHFFFAOYSA-N 1 2 273.361 1.401 20 30 CDEDLO CCc1[nH]c(CNC(=O)c2ncc(C#N)cc2Cl)c[nH+]1 ZINC001363618025 953552024 /nfs/dbraw/zinc/55/20/24/953552024.db2.gz TUJSTWADDKPQTH-UHFFFAOYSA-N 1 2 289.726 1.822 20 30 CDEDLO CCc1[nH]cc(CNC(=O)c2ncc(C#N)cc2Cl)[nH+]1 ZINC001363618025 953552029 /nfs/dbraw/zinc/55/20/29/953552029.db2.gz TUJSTWADDKPQTH-UHFFFAOYSA-N 1 2 289.726 1.822 20 30 CDEDLO CN(C)c1cc[nH+]c(CNc2nccnc2C#N)c1 ZINC001307210302 954855936 /nfs/dbraw/zinc/85/59/36/954855936.db2.gz GSDVDOUTPOIHOQ-UHFFFAOYSA-N 1 2 254.297 1.421 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C1(COCC)CC1 ZINC001492309537 955790502 /nfs/dbraw/zinc/79/05/02/955790502.db2.gz WDXJOSIQJUDLSD-UHFFFAOYSA-N 1 2 274.792 1.604 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C1(COCC)CC1 ZINC001492309537 955790512 /nfs/dbraw/zinc/79/05/12/955790512.db2.gz WDXJOSIQJUDLSD-UHFFFAOYSA-N 1 2 274.792 1.604 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)COC(C)C ZINC001329391509 955870894 /nfs/dbraw/zinc/87/08/94/955870894.db2.gz FBZICKLCKSBRMN-NSHDSACASA-N 1 2 262.781 1.600 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)COC(C)C ZINC001329391509 955870886 /nfs/dbraw/zinc/87/08/86/955870886.db2.gz FBZICKLCKSBRMN-NSHDSACASA-N 1 2 262.781 1.600 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1conc1C1CC1 ZINC001492414366 955876471 /nfs/dbraw/zinc/87/64/71/955876471.db2.gz RFSKJWHZUWOSAG-UHFFFAOYSA-N 1 2 283.759 1.966 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1conc1C1CC1 ZINC001492414366 955876483 /nfs/dbraw/zinc/87/64/83/955876483.db2.gz RFSKJWHZUWOSAG-UHFFFAOYSA-N 1 2 283.759 1.966 20 30 CDEDLO C=CC[C@H]([NH2+][C@H](C)C[C@H]1CCCC(=O)N1)C(=O)OCC ZINC001330639136 956532338 /nfs/dbraw/zinc/53/23/38/956532338.db2.gz PBCMTWYBRKCFOZ-UPJWGTAASA-N 1 2 282.384 1.531 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@@H](C)n2cccn2)C1 ZINC001366984973 957318459 /nfs/dbraw/zinc/31/84/59/957318459.db2.gz AOFTUYUXFITTPA-GFCCVEGCSA-N 1 2 296.802 1.635 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([NH2+]Cc2ncc(CC)o2)C1 ZINC001317298059 957410510 /nfs/dbraw/zinc/41/05/10/957410510.db2.gz BGDRNLFMSYRMDK-LBPRGKRZSA-N 1 2 277.368 1.894 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(C)[nH]c1=O ZINC001367841995 958422931 /nfs/dbraw/zinc/42/29/31/958422931.db2.gz WCSYGSFDCBEZKL-LLVKDONJSA-N 1 2 297.786 1.898 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C)[nH]c1=O ZINC001367841995 958422941 /nfs/dbraw/zinc/42/29/41/958422941.db2.gz WCSYGSFDCBEZKL-LLVKDONJSA-N 1 2 297.786 1.898 20 30 CDEDLO C=C(C)Cn1nnnc1N1CCC(n2cc[nH+]c2)CC1 ZINC001333673502 958500961 /nfs/dbraw/zinc/50/09/61/958500961.db2.gz ILSQBEXABCETTD-UHFFFAOYSA-N 1 2 273.344 1.287 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1csc(-c2cnn(C)c2)n1 ZINC001319552090 958625617 /nfs/dbraw/zinc/62/56/17/958625617.db2.gz DWWPNGXLDNYIJA-UHFFFAOYSA-N 1 2 290.392 1.625 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1csc(-c2cnn(C)c2)n1 ZINC001319552090 958625624 /nfs/dbraw/zinc/62/56/24/958625624.db2.gz DWWPNGXLDNYIJA-UHFFFAOYSA-N 1 2 290.392 1.625 20 30 CDEDLO C=C[C@@H](COC)NC(=O)[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC001320316959 959078878 /nfs/dbraw/zinc/07/88/78/959078878.db2.gz KLQBKTXSVNWFHN-LSDHHAIUSA-N 1 2 298.427 1.441 20 30 CDEDLO Cc1nc([C@H](C)[NH2+]CCOc2cccc(C#N)c2)no1 ZINC001320392159 959143065 /nfs/dbraw/zinc/14/30/65/959143065.db2.gz HJZNAVKNZCGSGE-JTQLQIEISA-N 1 2 272.308 1.979 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)N1CCCC(C)(C)[C@H]1C#N ZINC001548693669 972451524 /nfs/dbraw/zinc/45/15/24/972451524.db2.gz CYBLHHUJSKWLNX-GFCCVEGCSA-N 1 2 274.368 1.893 20 30 CDEDLO C=CCCC[C@@H]([NH3+])c1nc([C@H]2CCS(=O)(=O)C2)no1 ZINC001336299922 960293508 /nfs/dbraw/zinc/29/35/08/960293508.db2.gz LLIRFZBOSCODKR-VHSXEESVSA-N 1 2 285.369 1.328 20 30 CDEDLO C=C[C@H](COC)NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC001324033022 961122391 /nfs/dbraw/zinc/12/23/91/961122391.db2.gz VWFYSOPUVINCGZ-MCIONIFRSA-N 1 2 292.383 1.677 20 30 CDEDLO COCC[C@](C)(C#N)NC(=O)CCCn1cc[nH+]c1 ZINC001324182675 961219920 /nfs/dbraw/zinc/21/99/20/961219920.db2.gz UPIQOEIEPFKBEH-CYBMUJFWSA-N 1 2 264.329 1.098 20 30 CDEDLO CO[C@H](C)C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001420184902 962547229 /nfs/dbraw/zinc/54/72/29/962547229.db2.gz ZLRWWFVIWMZOHZ-LLVKDONJSA-N 1 2 293.342 1.280 20 30 CDEDLO CO[C@H](C)C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001420184902 962547248 /nfs/dbraw/zinc/54/72/48/962547248.db2.gz ZLRWWFVIWMZOHZ-LLVKDONJSA-N 1 2 293.342 1.280 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)Cc2c(C)n[nH]c2C)C1 ZINC001438164499 963343665 /nfs/dbraw/zinc/34/36/65/963343665.db2.gz UXXWHBVXMIRUKU-UHFFFAOYSA-N 1 2 296.802 1.370 20 30 CDEDLO C=CCC[C@H]1CCCN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC001341780360 963538853 /nfs/dbraw/zinc/53/88/53/963538853.db2.gz OPEFYKGALJRVCU-NSHDSACASA-N 1 2 274.368 1.626 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@H]3C)n2CC(=C)C)CC1 ZINC001342762874 963820734 /nfs/dbraw/zinc/82/07/34/963820734.db2.gz ZUDPEOJBVQQXTB-CABCVRRESA-N 1 2 299.422 1.733 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1ccn(CC)n1 ZINC001440923742 964264110 /nfs/dbraw/zinc/26/41/10/964264110.db2.gz CPHCYRPKOWGJJS-LBPRGKRZSA-N 1 2 298.818 1.635 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1ccn(CC)n1 ZINC001440923742 964264100 /nfs/dbraw/zinc/26/41/00/964264100.db2.gz CPHCYRPKOWGJJS-LBPRGKRZSA-N 1 2 298.818 1.635 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC[N@H+](C)Cc1cnc(Cl)s1 ZINC001442372696 965015102 /nfs/dbraw/zinc/01/51/02/965015102.db2.gz FASGQOASPYHWFE-QMMMGPOBSA-N 1 2 286.788 1.504 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](C)Cc1cnc(Cl)s1 ZINC001442372696 965015106 /nfs/dbraw/zinc/01/51/06/965015106.db2.gz FASGQOASPYHWFE-QMMMGPOBSA-N 1 2 286.788 1.504 20 30 CDEDLO COCC#CC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001347753211 965683845 /nfs/dbraw/zinc/68/38/45/965683845.db2.gz YIMIXXFLSLXIOZ-CYBMUJFWSA-N 1 2 292.404 1.603 20 30 CDEDLO C[C@H](O)C[C@H]1COCC[N@@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001473366428 969723592 /nfs/dbraw/zinc/72/35/92/969723592.db2.gz SXZQPFULHNJZLI-VBNZEHGJSA-N 1 2 290.363 1.063 20 30 CDEDLO C[C@H](O)C[C@H]1COCC[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001473366428 969723596 /nfs/dbraw/zinc/72/35/96/969723596.db2.gz SXZQPFULHNJZLI-VBNZEHGJSA-N 1 2 290.363 1.063 20 30 CDEDLO Cc1nnc([C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H](C)C#N)[nH]1 ZINC001502166644 974713531 /nfs/dbraw/zinc/71/35/31/974713531.db2.gz FCERDSBQDWNBIC-GHMZBOCLSA-N 1 2 292.387 1.114 20 30 CDEDLO Cc1nnc([C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@H](C)C#N)[nH]1 ZINC001502166644 974713535 /nfs/dbraw/zinc/71/35/35/974713535.db2.gz FCERDSBQDWNBIC-GHMZBOCLSA-N 1 2 292.387 1.114 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc(OC)ccn1 ZINC001505976058 975066381 /nfs/dbraw/zinc/06/63/81/975066381.db2.gz DTEVHDLHXAJHRX-NSHDSACASA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(OC)ccn1 ZINC001505976058 975066382 /nfs/dbraw/zinc/06/63/82/975066382.db2.gz DTEVHDLHXAJHRX-NSHDSACASA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCCF ZINC001505979418 975068297 /nfs/dbraw/zinc/06/82/97/975068297.db2.gz WDVJVQHMJJZLBK-JTQLQIEISA-N 1 2 250.745 1.925 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCCF ZINC001505979418 975068301 /nfs/dbraw/zinc/06/83/01/975068301.db2.gz WDVJVQHMJJZLBK-JTQLQIEISA-N 1 2 250.745 1.925 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(COC)CCC2)C1 ZINC001398317675 975940083 /nfs/dbraw/zinc/94/00/83/975940083.db2.gz ZHJYBYBLXOLHCC-GFCCVEGCSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(COC)CCC2)C1 ZINC001398317675 975940087 /nfs/dbraw/zinc/94/00/87/975940087.db2.gz ZHJYBYBLXOLHCC-GFCCVEGCSA-N 1 2 286.803 1.746 20 30 CDEDLO COCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001379935005 976133718 /nfs/dbraw/zinc/13/37/18/976133718.db2.gz HSZFKBPLMVBJKL-NSHDSACASA-N 1 2 293.392 1.347 20 30 CDEDLO COCCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001379935005 976133722 /nfs/dbraw/zinc/13/37/22/976133722.db2.gz HSZFKBPLMVBJKL-NSHDSACASA-N 1 2 293.392 1.347 20 30 CDEDLO C[C@H](C#N)C(=O)NCC1([NH2+]Cc2csc(Cl)n2)CC1 ZINC001380067737 976228295 /nfs/dbraw/zinc/22/82/95/976228295.db2.gz NQCSOGIONNJJIO-MRVPVSSYSA-N 1 2 298.799 1.695 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc(C)ncn1 ZINC001390913818 976604141 /nfs/dbraw/zinc/60/41/41/976604141.db2.gz ZEPPSQBBHKQPDZ-UHFFFAOYSA-N 1 2 282.775 1.589 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc(C)ncn1 ZINC001390913818 976604143 /nfs/dbraw/zinc/60/41/43/976604143.db2.gz ZEPPSQBBHKQPDZ-UHFFFAOYSA-N 1 2 282.775 1.589 20 30 CDEDLO COCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001391540114 976944546 /nfs/dbraw/zinc/94/45/46/976944546.db2.gz XLMPFECLCSRAEE-ZDUSSCGKSA-N 1 2 291.326 1.034 20 30 CDEDLO COCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001391540114 976944555 /nfs/dbraw/zinc/94/45/55/976944555.db2.gz XLMPFECLCSRAEE-ZDUSSCGKSA-N 1 2 291.326 1.034 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)Cn2cccn2)C1 ZINC001391627941 977002431 /nfs/dbraw/zinc/00/24/31/977002431.db2.gz NDRIXRFPKUKVNA-ZDUSSCGKSA-N 1 2 296.802 1.558 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)Cn2cccn2)C1 ZINC001391627941 977002447 /nfs/dbraw/zinc/00/24/47/977002447.db2.gz NDRIXRFPKUKVNA-ZDUSSCGKSA-N 1 2 296.802 1.558 20 30 CDEDLO C#CCCCCCC(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001132398837 1163267240 /nfs/dbraw/zinc/26/72/40/1163267240.db2.gz QVPNFURXSKOJSD-UHFFFAOYSA-N 1 2 292.383 1.422 20 30 CDEDLO C=CC[NH+]1CCC([NH2+][C@H](C)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001588838030 984334871 /nfs/dbraw/zinc/33/48/71/984334871.db2.gz AOOLYHDUTQYYRV-RTXFEEFZSA-N 1 2 252.358 1.336 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001132660612 1163427873 /nfs/dbraw/zinc/42/78/73/1163427873.db2.gz POAIKLDWIKRWKD-LLVKDONJSA-N 1 2 266.345 1.186 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[NH2+]Cc1nonc1C ZINC001133378848 1163662453 /nfs/dbraw/zinc/66/24/53/1163662453.db2.gz OMHSZIOHCVPDOV-ZDUSSCGKSA-N 1 2 266.345 1.186 20 30 CDEDLO Cc1cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)cc(C#N)n1 ZINC000588005860 342490941 /nfs/dbraw/zinc/49/09/41/342490941.db2.gz SAPYPXSDHWOQHT-CYBMUJFWSA-N 1 2 279.347 1.769 20 30 CDEDLO N#CC1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000590486684 342564710 /nfs/dbraw/zinc/56/47/10/342564710.db2.gz LPJJQIOSNYFMGD-UHFFFAOYSA-N 1 2 266.304 1.527 20 30 CDEDLO N#CC1(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCCC1 ZINC000070811180 342086570 /nfs/dbraw/zinc/08/65/70/342086570.db2.gz MVROMZVFEMPZCZ-AWEZNQCLSA-N 1 2 291.395 1.394 20 30 CDEDLO CCC[N@H+](CCS(C)(=O)=O)Cc1ccc(C#N)cc1 ZINC000047740007 342117118 /nfs/dbraw/zinc/11/71/18/342117118.db2.gz PWUYPKQJOTVOAW-UHFFFAOYSA-N 1 2 280.393 1.815 20 30 CDEDLO CCC[N@@H+](CCS(C)(=O)=O)Cc1ccc(C#N)cc1 ZINC000047740007 342117119 /nfs/dbraw/zinc/11/71/19/342117119.db2.gz PWUYPKQJOTVOAW-UHFFFAOYSA-N 1 2 280.393 1.815 20 30 CDEDLO Cc1cccn2cc(CCNC(=O)NC[C@H](C)C#N)[nH+]c12 ZINC000611626737 346832969 /nfs/dbraw/zinc/83/29/69/346832969.db2.gz RRZHXEBHDYOYSN-LLVKDONJSA-N 1 2 285.351 1.644 20 30 CDEDLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592146515 342673538 /nfs/dbraw/zinc/67/35/38/342673538.db2.gz COXFYDPKOGFYIP-UMVBOHGHSA-N 1 2 279.384 1.032 20 30 CDEDLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592146515 342673540 /nfs/dbraw/zinc/67/35/40/342673540.db2.gz COXFYDPKOGFYIP-UMVBOHGHSA-N 1 2 279.384 1.032 20 30 CDEDLO C=CC(C)(C)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000448621143 361835207 /nfs/dbraw/zinc/83/52/07/361835207.db2.gz JBRFMXUSHLEIEH-UHFFFAOYSA-N 1 2 289.379 1.747 20 30 CDEDLO CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592152521 342669462 /nfs/dbraw/zinc/66/94/62/342669462.db2.gz YOVDVSHCDKAGER-GDBMZVCRSA-N 1 2 288.347 1.641 20 30 CDEDLO CCOC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592152521 342669464 /nfs/dbraw/zinc/66/94/64/342669464.db2.gz YOVDVSHCDKAGER-GDBMZVCRSA-N 1 2 288.347 1.641 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2n[nH]c3ccccc32)C1 ZINC000592522338 342702458 /nfs/dbraw/zinc/70/24/58/342702458.db2.gz MAXKHUVOFPKDTF-AWEZNQCLSA-N 1 2 256.309 1.413 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2n[nH]c3ccccc32)C1 ZINC000592522338 342702460 /nfs/dbraw/zinc/70/24/60/342702460.db2.gz MAXKHUVOFPKDTF-AWEZNQCLSA-N 1 2 256.309 1.413 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)n1 ZINC000602474649 342166363 /nfs/dbraw/zinc/16/63/63/342166363.db2.gz MGAGLIAPLFHPBB-VXGBXAGGSA-N 1 2 285.269 1.841 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)n1 ZINC000602474649 342166364 /nfs/dbraw/zinc/16/63/64/342166364.db2.gz MGAGLIAPLFHPBB-VXGBXAGGSA-N 1 2 285.269 1.841 20 30 CDEDLO CCc1nnc([C@H](C)[NH2+]Cc2cnc3c(C#N)cnn3c2)[nH]1 ZINC000573445494 361880275 /nfs/dbraw/zinc/88/02/75/361880275.db2.gz YIWJFKUMFFKSNL-VIFPVBQESA-N 1 2 296.338 1.132 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCCCC#N ZINC000593153082 342773912 /nfs/dbraw/zinc/77/39/12/342773912.db2.gz GYNGHGMWSANHIA-ZDUSSCGKSA-N 1 2 250.346 1.421 20 30 CDEDLO Cc1cc(N2CCN(c3cnn(C)c3)CC2)c(C#N)c[nH+]1 ZINC000573598789 361908690 /nfs/dbraw/zinc/90/86/90/361908690.db2.gz IKRJITXEALSDGA-UHFFFAOYSA-N 1 2 282.351 1.322 20 30 CDEDLO CC[C@H](C#N)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000593550274 342811049 /nfs/dbraw/zinc/81/10/49/342811049.db2.gz SRJWLRFWMAGCHI-VXGBXAGGSA-N 1 2 258.325 1.326 20 30 CDEDLO CC(C)(C#N)C[NH2+]Cc1cnnn1-c1ccccc1 ZINC000593615391 342815245 /nfs/dbraw/zinc/81/52/45/342815245.db2.gz OWGGKUKLPGODGQ-UHFFFAOYSA-N 1 2 255.325 1.907 20 30 CDEDLO CC[C@H](C#N)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000593668518 342820439 /nfs/dbraw/zinc/82/04/39/342820439.db2.gz LUFMQXZNEUUMBE-FRRDWIJNSA-N 1 2 267.373 1.104 20 30 CDEDLO CC[C@H](C#N)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000593668518 342820441 /nfs/dbraw/zinc/82/04/41/342820441.db2.gz LUFMQXZNEUUMBE-FRRDWIJNSA-N 1 2 267.373 1.104 20 30 CDEDLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000593976604 342863743 /nfs/dbraw/zinc/86/37/43/342863743.db2.gz PXHIUEGVTWQLRD-CQSZACIVSA-N 1 2 259.309 1.481 20 30 CDEDLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000593976604 342863745 /nfs/dbraw/zinc/86/37/45/342863745.db2.gz PXHIUEGVTWQLRD-CQSZACIVSA-N 1 2 259.309 1.481 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000085826187 539096101 /nfs/dbraw/zinc/09/61/01/539096101.db2.gz PXHBSOSNOYPRLB-GFCCVEGCSA-N 1 2 264.373 1.655 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000085826187 539096102 /nfs/dbraw/zinc/09/61/02/539096102.db2.gz PXHBSOSNOYPRLB-GFCCVEGCSA-N 1 2 264.373 1.655 20 30 CDEDLO C=CCCOCC(=O)NCCCNc1cccc[nH+]1 ZINC000605543077 342259917 /nfs/dbraw/zinc/25/99/17/342259917.db2.gz HQLSJZQJYWIWIR-UHFFFAOYSA-N 1 2 263.341 1.593 20 30 CDEDLO C=CCC1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCOCC1 ZINC000618251527 342268212 /nfs/dbraw/zinc/26/82/12/342268212.db2.gz MMRBXBQBAABZAN-CYBMUJFWSA-N 1 2 289.379 1.687 20 30 CDEDLO N#CCC[N@@H+](Cc1cccnc1)C[C@@H]1CNc2ccnn2C1 ZINC000619264528 349662987 /nfs/dbraw/zinc/66/29/87/349662987.db2.gz IGYOKSNMEHASDU-HNNXBMFYSA-N 1 2 296.378 1.736 20 30 CDEDLO N#CCC[N@H+](Cc1cccnc1)C[C@@H]1CNc2ccnn2C1 ZINC000619264528 349662989 /nfs/dbraw/zinc/66/29/89/349662989.db2.gz IGYOKSNMEHASDU-HNNXBMFYSA-N 1 2 296.378 1.736 20 30 CDEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595474464 343063945 /nfs/dbraw/zinc/06/39/45/343063945.db2.gz UXNPZORJQRIDMW-GJZGRUSLSA-N 1 2 288.347 1.099 20 30 CDEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595474464 343063947 /nfs/dbraw/zinc/06/39/47/343063947.db2.gz UXNPZORJQRIDMW-GJZGRUSLSA-N 1 2 288.347 1.099 20 30 CDEDLO CC[N@H+](CC(=O)NCC#N)Cc1ccc(Cl)s1 ZINC000076668055 342322941 /nfs/dbraw/zinc/32/29/41/342322941.db2.gz FIOOCSFEJRHCIJ-UHFFFAOYSA-N 1 2 271.773 1.863 20 30 CDEDLO CC[N@@H+](CC(=O)NCC#N)Cc1ccc(Cl)s1 ZINC000076668055 342322942 /nfs/dbraw/zinc/32/29/42/342322942.db2.gz FIOOCSFEJRHCIJ-UHFFFAOYSA-N 1 2 271.773 1.863 20 30 CDEDLO COc1coc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1=O ZINC000595615304 343109652 /nfs/dbraw/zinc/10/96/52/343109652.db2.gz PURIKYFVTIFSCN-LLVKDONJSA-N 1 2 262.309 1.774 20 30 CDEDLO COc1coc(C[N@H+]2CCC[C@H](CC#N)C2)cc1=O ZINC000595615304 343109653 /nfs/dbraw/zinc/10/96/53/343109653.db2.gz PURIKYFVTIFSCN-LLVKDONJSA-N 1 2 262.309 1.774 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](CC#N)C2)nn1 ZINC000595622857 343111451 /nfs/dbraw/zinc/11/14/51/343111451.db2.gz FBYOMMDWIJOTMW-CYBMUJFWSA-N 1 2 259.357 1.980 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](CC#N)C2)nn1 ZINC000595622857 343111452 /nfs/dbraw/zinc/11/14/52/343111452.db2.gz FBYOMMDWIJOTMW-CYBMUJFWSA-N 1 2 259.357 1.980 20 30 CDEDLO CCc1nc(C#N)cc(NCc2cn3cc(C)ccc3[nH+]2)n1 ZINC000596084960 343220544 /nfs/dbraw/zinc/22/05/44/343220544.db2.gz QAMMWHGXYGPAID-UHFFFAOYSA-N 1 2 292.346 1.901 20 30 CDEDLO C#CCOc1cc(F)ccc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081454428 342369303 /nfs/dbraw/zinc/36/93/03/342369303.db2.gz SPNBHAIHMWTTKL-CQSZACIVSA-N 1 2 292.310 1.107 20 30 CDEDLO C#CCOc1cc(F)ccc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081454428 342369304 /nfs/dbraw/zinc/36/93/04/342369304.db2.gz SPNBHAIHMWTTKL-CQSZACIVSA-N 1 2 292.310 1.107 20 30 CDEDLO COC(=O)C[N@H+](Cc1cc(C#N)cs1)C1CCOCC1 ZINC000093763797 342426142 /nfs/dbraw/zinc/42/61/42/342426142.db2.gz LEYUYNDIBOORFY-UHFFFAOYSA-N 1 2 294.376 1.774 20 30 CDEDLO COC(=O)C[N@@H+](Cc1cc(C#N)cs1)C1CCOCC1 ZINC000093763797 342426143 /nfs/dbraw/zinc/42/61/43/342426143.db2.gz LEYUYNDIBOORFY-UHFFFAOYSA-N 1 2 294.376 1.774 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1CC#N ZINC000600997533 342445270 /nfs/dbraw/zinc/44/52/70/342445270.db2.gz GCZMGBNWKWYMDG-ZDUSSCGKSA-N 1 2 287.363 1.203 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000597995321 343684029 /nfs/dbraw/zinc/68/40/29/343684029.db2.gz MDQVEYSMHSZOGK-GHMZBOCLSA-N 1 2 291.351 1.299 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000597995321 343684031 /nfs/dbraw/zinc/68/40/31/343684031.db2.gz MDQVEYSMHSZOGK-GHMZBOCLSA-N 1 2 291.351 1.299 20 30 CDEDLO COC(=O)c1cccc(C[N@H+](C)[C@H]2CCOC2)c1C#N ZINC000535965421 282296377 /nfs/dbraw/zinc/29/63/77/282296377.db2.gz XGLUMNRCHGMMOS-LBPRGKRZSA-N 1 2 274.320 1.566 20 30 CDEDLO COC(=O)c1cccc(C[N@@H+](C)[C@H]2CCOC2)c1C#N ZINC000535965421 282296380 /nfs/dbraw/zinc/29/63/80/282296380.db2.gz XGLUMNRCHGMMOS-LBPRGKRZSA-N 1 2 274.320 1.566 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+](CC)Cc1ccc2c(c1)OCO2 ZINC000619716546 349866838 /nfs/dbraw/zinc/86/68/38/349866838.db2.gz UDGUZJHXKJGLPS-GFCCVEGCSA-N 1 2 277.320 1.965 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+](CC)Cc1ccc2c(c1)OCO2 ZINC000619716546 349866842 /nfs/dbraw/zinc/86/68/42/349866842.db2.gz UDGUZJHXKJGLPS-GFCCVEGCSA-N 1 2 277.320 1.965 20 30 CDEDLO C[C@H](NC(=O)c1cc(C#N)cs1)c1[nH+]ccn1C ZINC000598466360 343806903 /nfs/dbraw/zinc/80/69/03/343806903.db2.gz ZKXJDXLSJWYJPH-QMMMGPOBSA-N 1 2 260.322 1.844 20 30 CDEDLO CC[C@H](C)NC(=O)CO[NH+]=C(N)c1cccc(Cl)c1 ZINC000048376231 260199066 /nfs/dbraw/zinc/19/90/66/260199066.db2.gz UCZJVYZFHXTJFT-VIFPVBQESA-N 1 2 283.759 1.892 20 30 CDEDLO N#Cc1ccccc1CN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000599439397 344049718 /nfs/dbraw/zinc/04/97/18/344049718.db2.gz QZYMJXUDEFUOEO-UHFFFAOYSA-N 1 2 281.363 1.599 20 30 CDEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)Nc1ccc(C#N)cc1 ZINC000599697320 344126313 /nfs/dbraw/zinc/12/63/13/344126313.db2.gz GDCQABIVDHZIGF-CYBMUJFWSA-N 1 2 274.324 1.010 20 30 CDEDLO C[N@H+]1CCOC[C@H]1CNC(=O)Nc1ccc(C#N)cc1 ZINC000599697320 344126314 /nfs/dbraw/zinc/12/63/14/344126314.db2.gz GDCQABIVDHZIGF-CYBMUJFWSA-N 1 2 274.324 1.010 20 30 CDEDLO COCC[NH+](CCOC)CC(=O)Nc1sccc1C#N ZINC000026227981 344158830 /nfs/dbraw/zinc/15/88/30/344158830.db2.gz PTZNGDVVQJSSJD-UHFFFAOYSA-N 1 2 297.380 1.153 20 30 CDEDLO C[C@@H](C(=O)N1CCCC(C)(C)[C@H]1C#N)[NH+]1CCSCC1 ZINC000336143275 295718209 /nfs/dbraw/zinc/71/82/09/295718209.db2.gz VNWNEGAHTJSIKQ-QWHCGFSZSA-N 1 2 295.452 1.964 20 30 CDEDLO COCCN(CCC#N)[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000602466680 344426732 /nfs/dbraw/zinc/42/67/32/344426732.db2.gz ZFTQKLYVWFAKDD-CYBMUJFWSA-N 1 2 262.357 1.733 20 30 CDEDLO CC[C@@H](C#N)C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000602199218 344373361 /nfs/dbraw/zinc/37/33/61/344373361.db2.gz OANOPMSGROGESX-HNNXBMFYSA-N 1 2 286.379 1.318 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000602860321 344616180 /nfs/dbraw/zinc/61/61/80/344616180.db2.gz AZIYQDYGBILXGZ-NXEZZACHSA-N 1 2 275.308 1.634 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C ZINC000602861276 344616743 /nfs/dbraw/zinc/61/67/43/344616743.db2.gz FVLUOYCZAMHYEH-IJLUTSLNSA-N 1 2 280.372 1.283 20 30 CDEDLO CC(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000639433226 362467661 /nfs/dbraw/zinc/46/76/61/362467661.db2.gz LNAHBFMIFWCVGQ-UHFFFAOYSA-N 1 2 271.364 1.655 20 30 CDEDLO CC(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000639433226 362467667 /nfs/dbraw/zinc/46/76/67/362467667.db2.gz LNAHBFMIFWCVGQ-UHFFFAOYSA-N 1 2 271.364 1.655 20 30 CDEDLO C[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000612155636 347063311 /nfs/dbraw/zinc/06/33/11/347063311.db2.gz XDSDGABMSWFMPR-DZGCQCFKSA-N 1 2 263.385 1.871 20 30 CDEDLO C[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000612155636 347063313 /nfs/dbraw/zinc/06/33/13/347063313.db2.gz XDSDGABMSWFMPR-DZGCQCFKSA-N 1 2 263.385 1.871 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000602867541 344639378 /nfs/dbraw/zinc/63/93/78/344639378.db2.gz DWKSOVOZRBEHBX-JTQLQIEISA-N 1 2 277.372 1.548 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612165900 347067786 /nfs/dbraw/zinc/06/77/86/347067786.db2.gz RFPMLZPFHJTNDA-FZMZJTMJSA-N 1 2 278.356 1.012 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612165900 347067790 /nfs/dbraw/zinc/06/77/90/347067790.db2.gz RFPMLZPFHJTNDA-FZMZJTMJSA-N 1 2 278.356 1.012 20 30 CDEDLO CN1CC[N@H+](C)[C@H](CNC(=O)c2cccc3c[nH]nc32)C1 ZINC000329250053 530070802 /nfs/dbraw/zinc/07/08/02/530070802.db2.gz XLDROKUQZCKDQL-GFCCVEGCSA-N 1 2 287.367 1.113 20 30 CDEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)c2cccc3c[nH]nc32)C1 ZINC000329250053 530070803 /nfs/dbraw/zinc/07/08/03/530070803.db2.gz XLDROKUQZCKDQL-GFCCVEGCSA-N 1 2 287.367 1.113 20 30 CDEDLO CC(C)NC(=O)CO[NH+]=C(N)c1cccc(Cl)c1 ZINC000050513948 345021149 /nfs/dbraw/zinc/02/11/49/345021149.db2.gz QMFROUCOAYZYNY-UHFFFAOYSA-N 1 2 269.732 1.502 20 30 CDEDLO C=CCCn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000606755680 345083871 /nfs/dbraw/zinc/08/38/71/345083871.db2.gz PHDOENBUXWCUPL-OAHLLOKOSA-N 1 2 299.378 1.823 20 30 CDEDLO C=CCCn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000606755680 345083873 /nfs/dbraw/zinc/08/38/73/345083873.db2.gz PHDOENBUXWCUPL-OAHLLOKOSA-N 1 2 299.378 1.823 20 30 CDEDLO C=CCOC[C@H](NCc1c[nH+]c2ccccn12)C(=O)OC ZINC000619509452 345411866 /nfs/dbraw/zinc/41/18/66/345411866.db2.gz UXEMSZZEMGVXPL-ZDUSSCGKSA-N 1 2 289.335 1.168 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCOCc1ccccc1 ZINC000383833659 345735443 /nfs/dbraw/zinc/73/54/43/345735443.db2.gz JZRORQMBQHVSCD-CQSZACIVSA-N 1 2 263.337 1.863 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCOCc1ccccc1 ZINC000383833659 345735445 /nfs/dbraw/zinc/73/54/45/345735445.db2.gz JZRORQMBQHVSCD-CQSZACIVSA-N 1 2 263.337 1.863 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cnc(NCC)s2)CC1 ZINC000127486144 187309550 /nfs/dbraw/zinc/30/95/50/187309550.db2.gz DKXPRAFAYRKKDS-UHFFFAOYSA-N 1 2 292.408 1.356 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC(C)(C)OCC1(C)C ZINC000609672047 345988589 /nfs/dbraw/zinc/98/85/89/345988589.db2.gz VNZMOSZIAZSWEH-CYBMUJFWSA-N 1 2 295.427 1.884 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC(C)(C)OCC1(C)C ZINC000609672047 345988591 /nfs/dbraw/zinc/98/85/91/345988591.db2.gz VNZMOSZIAZSWEH-CYBMUJFWSA-N 1 2 295.427 1.884 20 30 CDEDLO COCC[N@H+](CCC#N)CCC(=O)N1CCCCC1 ZINC000610391980 346269822 /nfs/dbraw/zinc/26/98/22/346269822.db2.gz RNCUNWJGLKQKGD-UHFFFAOYSA-N 1 2 267.373 1.251 20 30 CDEDLO COCC[N@@H+](CCC#N)CCC(=O)N1CCCCC1 ZINC000610391980 346269826 /nfs/dbraw/zinc/26/98/26/346269826.db2.gz RNCUNWJGLKQKGD-UHFFFAOYSA-N 1 2 267.373 1.251 20 30 CDEDLO COc1ccccc1C(=O)N1CC[NH+](CCCC#N)CC1 ZINC000051284062 346303710 /nfs/dbraw/zinc/30/37/10/346303710.db2.gz LUOYATWJKIZDBK-UHFFFAOYSA-N 1 2 287.363 1.757 20 30 CDEDLO Cc1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)o1 ZINC000610888307 346483116 /nfs/dbraw/zinc/48/31/16/346483116.db2.gz IWKHRTGWVYTCHV-ZYHUDNBSSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)o1 ZINC000610888307 346483118 /nfs/dbraw/zinc/48/31/18/346483118.db2.gz IWKHRTGWVYTCHV-ZYHUDNBSSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1cc(N2CCN([C@H](C#N)C(C)C)CC2)nc[nH+]1 ZINC000611412568 346780147 /nfs/dbraw/zinc/78/01/47/346780147.db2.gz BWYLRDPCZJWAQM-CYBMUJFWSA-N 1 2 259.357 1.455 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCCO[C@H]1CCCCO1 ZINC000491299154 347580296 /nfs/dbraw/zinc/58/02/96/347580296.db2.gz YPUOWONFNBLOHE-KBPBESRZSA-N 1 2 253.342 1.254 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCCO[C@H]1CCCCO1 ZINC000491299154 347580300 /nfs/dbraw/zinc/58/03/00/347580300.db2.gz YPUOWONFNBLOHE-KBPBESRZSA-N 1 2 253.342 1.254 20 30 CDEDLO CC(C)[C@@H](CNC(=O)C(C)(C)C#N)[NH+]1CCOCC1 ZINC000055113571 347837484 /nfs/dbraw/zinc/83/74/84/347837484.db2.gz GLYSBUXOEAXBEM-GFCCVEGCSA-N 1 2 267.373 1.009 20 30 CDEDLO CC(=O)c1ccccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414168740 362926121 /nfs/dbraw/zinc/92/61/21/362926121.db2.gz UXYXBZYSDQTSFL-ZDUSSCGKSA-N 1 2 276.336 1.474 20 30 CDEDLO CC(=O)c1ccccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414168740 362926123 /nfs/dbraw/zinc/92/61/23/362926123.db2.gz UXYXBZYSDQTSFL-ZDUSSCGKSA-N 1 2 276.336 1.474 20 30 CDEDLO Cc1cc(OC[C@H](O)C[N@H+](C)CCC#N)ccc1F ZINC000414119175 362926177 /nfs/dbraw/zinc/92/61/77/362926177.db2.gz CJRBQXMCHOUXCL-GFCCVEGCSA-N 1 2 266.316 1.719 20 30 CDEDLO Cc1cc(OC[C@H](O)C[N@@H+](C)CCC#N)ccc1F ZINC000414119175 362926179 /nfs/dbraw/zinc/92/61/79/362926179.db2.gz CJRBQXMCHOUXCL-GFCCVEGCSA-N 1 2 266.316 1.719 20 30 CDEDLO C#CC[NH+]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000024201996 348546059 /nfs/dbraw/zinc/54/60/59/348546059.db2.gz SEZRRAOUNUPQHF-UHFFFAOYSA-N 1 2 270.292 1.222 20 30 CDEDLO CC1(C)C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000030196523 348676686 /nfs/dbraw/zinc/67/66/86/348676686.db2.gz YWKWOLGFLWTDKR-OAHLLOKOSA-N 1 2 299.374 1.774 20 30 CDEDLO CC1(C)C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000030196523 348676690 /nfs/dbraw/zinc/67/66/90/348676690.db2.gz YWKWOLGFLWTDKR-OAHLLOKOSA-N 1 2 299.374 1.774 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cccc(CC#N)c1 ZINC000044535232 348764278 /nfs/dbraw/zinc/76/42/78/348764278.db2.gz ABLBSDHWKRTKAW-ZDUSSCGKSA-N 1 2 287.363 1.203 20 30 CDEDLO CCOC(=O)[C@@H](CC)[N@H+](CC#CCOC)C1CC1 ZINC000615814299 348765556 /nfs/dbraw/zinc/76/55/56/348765556.db2.gz YXQGDPZEHIQKKV-CYBMUJFWSA-N 1 2 253.342 1.442 20 30 CDEDLO CCOC(=O)[C@@H](CC)[N@@H+](CC#CCOC)C1CC1 ZINC000615814299 348765559 /nfs/dbraw/zinc/76/55/59/348765559.db2.gz YXQGDPZEHIQKKV-CYBMUJFWSA-N 1 2 253.342 1.442 20 30 CDEDLO C[C@@H](CNc1cccc(F)c1C#N)[NH+]1CCN(C)CC1 ZINC000057838241 348848412 /nfs/dbraw/zinc/84/84/12/348848412.db2.gz CCXWJGXFPWTQEV-LBPRGKRZSA-N 1 2 276.359 1.745 20 30 CDEDLO CN(C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000058465383 348861414 /nfs/dbraw/zinc/86/14/14/348861414.db2.gz KRJSFOAXKZGCAI-UHFFFAOYSA-N 1 2 272.352 1.357 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000066868145 349001493 /nfs/dbraw/zinc/00/14/93/349001493.db2.gz FBTWHKAIQBJORY-UHFFFAOYSA-N 1 2 260.312 1.146 20 30 CDEDLO N#CCc1ccc(NC(=O)CCn2cc[nH+]c2)cc1 ZINC000070885586 349117290 /nfs/dbraw/zinc/11/72/90/349117290.db2.gz GFGWOUVWZAFFHP-UHFFFAOYSA-N 1 2 254.293 1.978 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)n1 ZINC000602474648 350112975 /nfs/dbraw/zinc/11/29/75/350112975.db2.gz MGAGLIAPLFHPBB-RYUDHWBXSA-N 1 2 285.269 1.841 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)n1 ZINC000602474648 350112978 /nfs/dbraw/zinc/11/29/78/350112978.db2.gz MGAGLIAPLFHPBB-RYUDHWBXSA-N 1 2 285.269 1.841 20 30 CDEDLO C[C@H]1OCC[C@]12C[N@H+](Cc1cccc(C#N)n1)CCO2 ZINC000602646902 350136979 /nfs/dbraw/zinc/13/69/79/350136979.db2.gz DUAANSWSBXBZDF-DOMZBBRYSA-N 1 2 273.336 1.333 20 30 CDEDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cccc(C#N)n1)CCO2 ZINC000602646902 350136985 /nfs/dbraw/zinc/13/69/85/350136985.db2.gz DUAANSWSBXBZDF-DOMZBBRYSA-N 1 2 273.336 1.333 20 30 CDEDLO C=CCCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000620858499 350346845 /nfs/dbraw/zinc/34/68/45/350346845.db2.gz HYEUHPRKVOVHKG-CYBMUJFWSA-N 1 2 267.417 1.483 20 30 CDEDLO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)c2[nH+]ccn21 ZINC000333442947 362993735 /nfs/dbraw/zinc/99/37/35/362993735.db2.gz WXAVBLYHCHVACV-WRWGMCAJSA-N 1 2 273.340 1.880 20 30 CDEDLO COCCN(CCC#N)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000081716630 351164496 /nfs/dbraw/zinc/16/44/96/351164496.db2.gz OTBQGTCKPDESRR-UHFFFAOYSA-N 1 2 298.346 1.875 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H]1CN(c2ccccc2)CCO1 ZINC000491452580 366062658 /nfs/dbraw/zinc/06/26/58/366062658.db2.gz LXRQEGZSBIISGS-NVXWUHKLSA-N 1 2 286.375 1.226 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H]1CN(c2ccccc2)CCO1 ZINC000491452580 366062662 /nfs/dbraw/zinc/06/26/62/366062662.db2.gz LXRQEGZSBIISGS-NVXWUHKLSA-N 1 2 286.375 1.226 20 30 CDEDLO N#CCOc1ccc(C[NH+]2CCN(CC(F)F)CC2)cc1 ZINC000264540377 363090522 /nfs/dbraw/zinc/09/05/22/363090522.db2.gz HJVHZDFUSPKYIA-UHFFFAOYSA-N 1 2 295.333 1.972 20 30 CDEDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(C#N)c1 ZINC000152319789 188009711 /nfs/dbraw/zinc/00/97/11/188009711.db2.gz NQBVZUHCNOSWRK-CQSZACIVSA-N 1 2 257.337 1.659 20 30 CDEDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000152319789 188009712 /nfs/dbraw/zinc/00/97/12/188009712.db2.gz NQBVZUHCNOSWRK-CQSZACIVSA-N 1 2 257.337 1.659 20 30 CDEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NCC(F)(F)F ZINC000109812602 358474872 /nfs/dbraw/zinc/47/48/72/358474872.db2.gz XHBNUAZPKDOHFC-UHFFFAOYSA-N 1 2 279.306 1.927 20 30 CDEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NCC(F)(F)F ZINC000109812602 358474874 /nfs/dbraw/zinc/47/48/74/358474874.db2.gz XHBNUAZPKDOHFC-UHFFFAOYSA-N 1 2 279.306 1.927 20 30 CDEDLO COCC[NH+](CCOC)Cc1cc(F)ccc1C#N ZINC000158242870 188365488 /nfs/dbraw/zinc/36/54/88/188365488.db2.gz BCCZRPSEQMFQTP-UHFFFAOYSA-N 1 2 266.316 1.792 20 30 CDEDLO COCCN1C(=O)C2(CC2)[NH2+]C12CCC(C)(C#N)CC2 ZINC000333944935 363245633 /nfs/dbraw/zinc/24/56/33/363245633.db2.gz SJVFBBCLTCTOGI-UHFFFAOYSA-N 1 2 277.368 1.397 20 30 CDEDLO N#Cc1cc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)ccn1 ZINC000288980776 283086240 /nfs/dbraw/zinc/08/62/40/283086240.db2.gz IHWAGQWQADZOME-ZDUSSCGKSA-N 1 2 297.318 1.539 20 30 CDEDLO N#Cc1cc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)ccn1 ZINC000288980776 283086241 /nfs/dbraw/zinc/08/62/41/283086241.db2.gz IHWAGQWQADZOME-ZDUSSCGKSA-N 1 2 297.318 1.539 20 30 CDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ncccc1C#N ZINC000286507733 291067557 /nfs/dbraw/zinc/06/75/57/291067557.db2.gz YSDXKUSLNRPODD-GXTWGEPZSA-N 1 2 272.352 1.253 20 30 CDEDLO Cc1nc(NCCn2cnc(C#N)n2)c2c([nH+]1)CCCC2 ZINC000286232204 356235198 /nfs/dbraw/zinc/23/51/98/356235198.db2.gz CRQAGJWBGLGGHX-UHFFFAOYSA-N 1 2 283.339 1.239 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1noc(C(C)(C)C)n1 ZINC000556343993 356943422 /nfs/dbraw/zinc/94/34/22/356943422.db2.gz MSCQPNSNZVEWSD-ZJUUUORDSA-N 1 2 251.330 1.800 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000299311201 357019480 /nfs/dbraw/zinc/01/94/80/357019480.db2.gz SQANLHAGBIMGLN-GFCCVEGCSA-N 1 2 273.336 1.932 20 30 CDEDLO C#C[C@H](CC)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000491691774 357227087 /nfs/dbraw/zinc/22/70/87/357227087.db2.gz PSJJVUNBZAAIMS-GFCCVEGCSA-N 1 2 255.321 1.713 20 30 CDEDLO N#CC1(CS(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000180412289 357269613 /nfs/dbraw/zinc/26/96/13/357269613.db2.gz OZSGOWLTKJMZBZ-UHFFFAOYSA-N 1 2 294.380 1.154 20 30 CDEDLO Cn1cc(C[NH2+]Cc2ncnn2C(C)(C)C)cc1C#N ZINC000282823385 357477854 /nfs/dbraw/zinc/47/78/54/357477854.db2.gz YSSXJDHQDDFHND-UHFFFAOYSA-N 1 2 272.356 1.533 20 30 CDEDLO N#Cc1cccc(NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)c1 ZINC000188049515 357839803 /nfs/dbraw/zinc/83/98/03/357839803.db2.gz DEGZFPUABREDAK-MRXNPFEDSA-N 1 2 299.374 1.998 20 30 CDEDLO N#Cc1cccc(NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)c1 ZINC000188049515 357839806 /nfs/dbraw/zinc/83/98/06/357839806.db2.gz DEGZFPUABREDAK-MRXNPFEDSA-N 1 2 299.374 1.998 20 30 CDEDLO CS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000337430591 358038660 /nfs/dbraw/zinc/03/86/60/358038660.db2.gz YSUGGWNKCWBMBH-LBPRGKRZSA-N 1 2 282.340 1.316 20 30 CDEDLO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000337430591 358038662 /nfs/dbraw/zinc/03/86/62/358038662.db2.gz YSUGGWNKCWBMBH-LBPRGKRZSA-N 1 2 282.340 1.316 20 30 CDEDLO OC(=Cc1cc(F)ccc1F)NC1=[NH+]CCS1 ZINC000079336818 358067091 /nfs/dbraw/zinc/06/70/91/358067091.db2.gz ZEOKJPALBGUUQC-UHFFFAOYSA-N 1 2 256.277 1.726 20 30 CDEDLO CC(=O)c1ccc(C#N)c(NCC[N@@H+]2CCO[C@H](C)C2)c1 ZINC000541579651 358354128 /nfs/dbraw/zinc/35/41/28/358354128.db2.gz YQDFBRWWNQUVTI-GFCCVEGCSA-N 1 2 287.363 1.893 20 30 CDEDLO CC(=O)c1ccc(C#N)c(NCC[N@H+]2CCO[C@H](C)C2)c1 ZINC000541579651 358354132 /nfs/dbraw/zinc/35/41/32/358354132.db2.gz YQDFBRWWNQUVTI-GFCCVEGCSA-N 1 2 287.363 1.893 20 30 CDEDLO C[N@@H+]1CCN(C(=O)c2ccc(C#N)s2)CC1(C)C ZINC000567061465 358623483 /nfs/dbraw/zinc/62/34/83/358623483.db2.gz YBAURFKSCIOHSO-UHFFFAOYSA-N 1 2 263.366 1.786 20 30 CDEDLO C[N@H+]1CCN(C(=O)c2ccc(C#N)s2)CC1(C)C ZINC000567061465 358623485 /nfs/dbraw/zinc/62/34/85/358623485.db2.gz YBAURFKSCIOHSO-UHFFFAOYSA-N 1 2 263.366 1.786 20 30 CDEDLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccccc1C#N ZINC000185110077 358772975 /nfs/dbraw/zinc/77/29/75/358772975.db2.gz LWPDBIYBTDENDW-GTNSWQLSSA-N 1 2 250.367 1.757 20 30 CDEDLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1ccccc1C#N ZINC000185110077 358772978 /nfs/dbraw/zinc/77/29/78/358772978.db2.gz LWPDBIYBTDENDW-GTNSWQLSSA-N 1 2 250.367 1.757 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000338125344 358994400 /nfs/dbraw/zinc/99/44/00/358994400.db2.gz QMCHRKOTUJTEHN-ZDUSSCGKSA-N 1 2 280.331 1.808 20 30 CDEDLO Cc1[nH]nc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)c1C#N ZINC000288012785 359145741 /nfs/dbraw/zinc/14/57/41/359145741.db2.gz MALUGQFYCKJNMK-LLVKDONJSA-N 1 2 259.313 1.155 20 30 CDEDLO Cc1[nH]nc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)c1C#N ZINC000288012785 359145743 /nfs/dbraw/zinc/14/57/43/359145743.db2.gz MALUGQFYCKJNMK-LLVKDONJSA-N 1 2 259.313 1.155 20 30 CDEDLO C=CCSCCNc1[nH+]cnc(-n2cccn2)c1N ZINC000269580676 359372843 /nfs/dbraw/zinc/37/28/43/359372843.db2.gz ASNITSTVKFSBDN-UHFFFAOYSA-N 1 2 276.369 1.576 20 30 CDEDLO C#CC[NH+]1CCN(c2cnc3cc(F)c(F)cc3n2)CC1 ZINC000265565830 359331702 /nfs/dbraw/zinc/33/17/02/359331702.db2.gz UDVAYDJQTRZUCD-UHFFFAOYSA-N 1 2 288.301 1.663 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(CO)o2)n1 ZINC000279400248 359585384 /nfs/dbraw/zinc/58/53/84/359585384.db2.gz MLYOPLARHOEPEB-UHFFFAOYSA-N 1 2 273.336 1.624 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(CO)o2)n1 ZINC000279400248 359585386 /nfs/dbraw/zinc/58/53/86/359585386.db2.gz MLYOPLARHOEPEB-UHFFFAOYSA-N 1 2 273.336 1.624 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000279956083 359598380 /nfs/dbraw/zinc/59/83/80/359598380.db2.gz SMOCEHOXCOQXJD-UKRRQHHQSA-N 1 2 285.347 1.932 20 30 CDEDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccc(C#N)c(O)c1 ZINC000408428499 359768479 /nfs/dbraw/zinc/76/84/79/359768479.db2.gz UXCCNTOKMAXNCI-GHMZBOCLSA-N 1 2 273.336 1.428 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+](CC#C)Cc1ccc(F)cc1 ZINC000297718888 200267865 /nfs/dbraw/zinc/26/78/65/200267865.db2.gz BHPMALULGPHXTI-CYBMUJFWSA-N 1 2 272.323 1.399 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](CC#C)Cc1ccc(F)cc1 ZINC000297718888 200267867 /nfs/dbraw/zinc/26/78/67/200267867.db2.gz BHPMALULGPHXTI-CYBMUJFWSA-N 1 2 272.323 1.399 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1ccc(C#N)s1 ZINC000487335839 359972289 /nfs/dbraw/zinc/97/22/89/359972289.db2.gz QQLISNXBUYURIU-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1ccc(C#N)s1 ZINC000487335839 359972295 /nfs/dbraw/zinc/97/22/95/359972295.db2.gz QQLISNXBUYURIU-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)C(=O)OC ZINC000348358513 360024386 /nfs/dbraw/zinc/02/43/86/360024386.db2.gz LAIQFJDLLRJJAA-UPJWGTAASA-N 1 2 253.342 1.509 20 30 CDEDLO C=CCCS(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000096658957 360326671 /nfs/dbraw/zinc/32/66/71/360326671.db2.gz MLAAQEVSSBWHKC-UHFFFAOYSA-N 1 2 294.420 1.710 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000348525839 360380325 /nfs/dbraw/zinc/38/03/25/360380325.db2.gz KIALORCLTJLJJI-ZDUSSCGKSA-N 1 2 273.336 1.445 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H]1c1ccccc1 ZINC000348525839 360380328 /nfs/dbraw/zinc/38/03/28/360380328.db2.gz KIALORCLTJLJJI-ZDUSSCGKSA-N 1 2 273.336 1.445 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(F)c2C)CC1 ZINC000085280519 360578068 /nfs/dbraw/zinc/57/80/68/360578068.db2.gz WMRBQNLDVIZGFG-UHFFFAOYSA-N 1 2 289.354 1.323 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC000178026306 189086526 /nfs/dbraw/zinc/08/65/26/189086526.db2.gz NQWNOUKBEQPGIO-HZPDHXFCSA-N 1 2 289.375 1.913 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC000178026306 189086527 /nfs/dbraw/zinc/08/65/27/189086527.db2.gz NQWNOUKBEQPGIO-HZPDHXFCSA-N 1 2 289.375 1.913 20 30 CDEDLO C#Cc1ccc(C[NH+]2CCN(S(=O)(=O)CC)CC2)cc1 ZINC000225637809 360606861 /nfs/dbraw/zinc/60/68/61/360606861.db2.gz UMCMLMFCRIMNJH-UHFFFAOYSA-N 1 2 292.404 1.135 20 30 CDEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C)C#N ZINC000335801993 360948344 /nfs/dbraw/zinc/94/83/44/360948344.db2.gz YWYAJXSSPGQQID-ZETCQYMHSA-N 1 2 278.262 1.651 20 30 CDEDLO CC[N@@H+](Cc1cc(=O)n2c(C)cccc2n1)C[C@@H](C)C#N ZINC000157624678 360930347 /nfs/dbraw/zinc/93/03/47/360930347.db2.gz CJIPYBCDKMHJMB-LBPRGKRZSA-N 1 2 284.363 1.985 20 30 CDEDLO CC[N@H+](Cc1cc(=O)n2c(C)cccc2n1)C[C@@H](C)C#N ZINC000157624678 360930352 /nfs/dbraw/zinc/93/03/52/360930352.db2.gz CJIPYBCDKMHJMB-LBPRGKRZSA-N 1 2 284.363 1.985 20 30 CDEDLO COc1cccc([C@@H](NC(=O)[C@@H](C)C#N)c2[nH+]ccn2C)c1 ZINC000609620058 363774106 /nfs/dbraw/zinc/77/41/06/363774106.db2.gz RDJZDXSUYHVGDV-SMDDNHRTSA-N 1 2 298.346 1.794 20 30 CDEDLO O=C(N[C@H]1CCCOC1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000329359669 361489531 /nfs/dbraw/zinc/48/95/31/361489531.db2.gz BWBDXDSAINYOEK-UONOGXRCSA-N 1 2 282.384 1.623 20 30 CDEDLO O=C(N[C@H]1CCCOC1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000329359669 361489534 /nfs/dbraw/zinc/48/95/34/361489534.db2.gz BWBDXDSAINYOEK-UONOGXRCSA-N 1 2 282.384 1.623 20 30 CDEDLO N#Cc1nc(NC[C@H]2C[NH+]3CCN2CC3)ccc1Cl ZINC000301758983 201179713 /nfs/dbraw/zinc/17/97/13/201179713.db2.gz FKGYYAIXMYSTPQ-JTQLQIEISA-N 1 2 277.759 1.018 20 30 CDEDLO N#Cc1nc(NC[C@H]2CN3CC[NH+]2CC3)ccc1Cl ZINC000301758983 201179714 /nfs/dbraw/zinc/17/97/14/201179714.db2.gz FKGYYAIXMYSTPQ-JTQLQIEISA-N 1 2 277.759 1.018 20 30 CDEDLO COCCOc1ccc(C#N)cc1NCc1[nH]cc[nH+]1 ZINC000184326255 189383112 /nfs/dbraw/zinc/38/31/12/189383112.db2.gz JVVHEHPJMHLWRQ-UHFFFAOYSA-N 1 2 272.308 1.919 20 30 CDEDLO C#CCC(C)(C)C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000184195865 189379067 /nfs/dbraw/zinc/37/90/67/189379067.db2.gz AXNJWZAFQWRXDB-LBPRGKRZSA-N 1 2 293.436 1.671 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1C(N)=O ZINC000329638648 361616822 /nfs/dbraw/zinc/61/68/22/361616822.db2.gz YZFXVZDUJMOPQT-OPRDCNLKSA-N 1 2 291.355 1.284 20 30 CDEDLO N#Cc1cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)ccc1F ZINC000580423649 363906208 /nfs/dbraw/zinc/90/62/08/363906208.db2.gz DOJPPPKECVNGGD-LBPRGKRZSA-N 1 2 284.294 1.639 20 30 CDEDLO CN(C)c1cc(C#N)cc(C(=O)NCCc2c[nH+]cn2C)c1 ZINC000581385389 363989409 /nfs/dbraw/zinc/98/94/09/363989409.db2.gz SBTVOTCZYDVDEW-UHFFFAOYSA-N 1 2 297.362 1.330 20 30 CDEDLO C[C@H]1C[C@@H](NC(=O)COc2ccccc2C#N)c2[nH+]ccn21 ZINC000456356546 364251404 /nfs/dbraw/zinc/25/14/04/364251404.db2.gz BFKQRNGEKHUSES-WCQYABFASA-N 1 2 296.330 1.956 20 30 CDEDLO CC[C@H](C)[C@H](C)C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N ZINC000540944912 364452181 /nfs/dbraw/zinc/45/21/81/364452181.db2.gz SQPMWGYRPMVKTF-QWRGUYRKSA-N 1 2 291.399 1.476 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cc(C)ccc2OC)nn1 ZINC000640859673 364698295 /nfs/dbraw/zinc/69/82/95/364698295.db2.gz PLVVGOXKVUGZFY-UHFFFAOYSA-N 1 2 284.363 1.756 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2ccccn2)nn1 ZINC000640995334 364805484 /nfs/dbraw/zinc/80/54/84/364805484.db2.gz LNYRLUXCDADRKV-LBPRGKRZSA-N 1 2 255.325 1.395 20 30 CDEDLO N#Cc1csc(C[NH2+]Cc2nnnn2CC2CC2)c1 ZINC000546022351 364806415 /nfs/dbraw/zinc/80/64/15/364806415.db2.gz KBBLHPCQYSAFRZ-UHFFFAOYSA-N 1 2 274.353 1.306 20 30 CDEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C[C@H](C)O1 ZINC000111275221 364953189 /nfs/dbraw/zinc/95/31/89/364953189.db2.gz GNBSRWPZYYULAQ-RWMBFGLXSA-N 1 2 267.373 1.246 20 30 CDEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C[C@H](C)O1 ZINC000111275221 364953192 /nfs/dbraw/zinc/95/31/92/364953192.db2.gz GNBSRWPZYYULAQ-RWMBFGLXSA-N 1 2 267.373 1.246 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2nc(C)c(C)s2)nn1 ZINC000641075167 364961636 /nfs/dbraw/zinc/96/16/36/364961636.db2.gz CYUPWGLZAVGFSG-UHFFFAOYSA-N 1 2 275.381 1.513 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000590119749 365056098 /nfs/dbraw/zinc/05/60/98/365056098.db2.gz LLEBCJZQSWXLPP-HNNXBMFYSA-N 1 2 289.375 1.740 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000375319596 370807560 /nfs/dbraw/zinc/80/75/60/370807560.db2.gz OMYFQHMGZHSWCU-VIFPVBQESA-N 1 2 257.135 1.434 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000375319596 370807562 /nfs/dbraw/zinc/80/75/62/370807562.db2.gz OMYFQHMGZHSWCU-VIFPVBQESA-N 1 2 257.135 1.434 20 30 CDEDLO C[C@@H](O)C[NH+]1CCN(c2snc(Cl)c2C#N)CC1 ZINC000275758416 193121575 /nfs/dbraw/zinc/12/15/75/193121575.db2.gz FATUCXJLFAIOTC-MRVPVSSYSA-N 1 2 286.788 1.171 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@H+](CCC(C)(C)C#N)[C@@H]1C(=O)OC ZINC000345765309 291359730 /nfs/dbraw/zinc/35/97/30/291359730.db2.gz WVQYNHIVMBCPBL-NEPJUHHUSA-N 1 2 296.367 1.353 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)[C@@H]1C(=O)OC ZINC000345765309 291359732 /nfs/dbraw/zinc/35/97/32/291359732.db2.gz WVQYNHIVMBCPBL-NEPJUHHUSA-N 1 2 296.367 1.353 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2sccc2C#N)C[C@H]1O ZINC000270857124 366937609 /nfs/dbraw/zinc/93/76/09/366937609.db2.gz HQDNLKHHDCJSPQ-MWLCHTKSSA-N 1 2 279.365 1.261 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)C[C@H]1O ZINC000270857124 366937615 /nfs/dbraw/zinc/93/76/15/366937615.db2.gz HQDNLKHHDCJSPQ-MWLCHTKSSA-N 1 2 279.365 1.261 20 30 CDEDLO COC(=O)[C@H]1CN(C)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000414485742 241224364 /nfs/dbraw/zinc/22/43/64/241224364.db2.gz IHZBIIGOBUTADO-NSHDSACASA-N 1 2 293.392 1.156 20 30 CDEDLO COC(=O)[C@H]1CN(C)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000414485742 241224367 /nfs/dbraw/zinc/22/43/67/241224367.db2.gz IHZBIIGOBUTADO-NSHDSACASA-N 1 2 293.392 1.156 20 30 CDEDLO C=CCC[C@@H](O)C[NH2+]C1(C(=O)OC)CCCCC1 ZINC000305044082 370827730 /nfs/dbraw/zinc/82/77/30/370827730.db2.gz AJFHLVKFOFKDLF-GFCCVEGCSA-N 1 2 255.358 1.779 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)N1CCC(C)(C#N)CC1 ZINC000358131487 367458541 /nfs/dbraw/zinc/45/85/41/367458541.db2.gz NPGUDMLEATYMGT-UHFFFAOYSA-N 1 2 261.329 1.255 20 30 CDEDLO C[C@H](C(=O)N[C@]1(C#N)CCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000358446603 367688389 /nfs/dbraw/zinc/68/83/89/367688389.db2.gz UPJJWJQVNKZIQO-DYVFJYSZSA-N 1 2 299.374 1.232 20 30 CDEDLO C[C@H](C(=O)N[C@]1(C#N)CCOC1)[N@H+]1CCc2ccccc2C1 ZINC000358446603 367688394 /nfs/dbraw/zinc/68/83/94/367688394.db2.gz UPJJWJQVNKZIQO-DYVFJYSZSA-N 1 2 299.374 1.232 20 30 CDEDLO NC(CCO)=[NH+]O[C@H]1CCCc2ccc(F)cc21 ZINC000136066290 260923661 /nfs/dbraw/zinc/92/36/61/260923661.db2.gz OFTSLACICKGZMS-LBPRGKRZSA-N 1 2 252.289 1.874 20 30 CDEDLO CCC[C@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)CCO1 ZINC000131775437 369153660 /nfs/dbraw/zinc/15/36/60/369153660.db2.gz DDWDVBXAZWOWGO-AWEZNQCLSA-N 1 2 292.383 1.143 20 30 CDEDLO CCC[C@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)CCO1 ZINC000131775437 369153668 /nfs/dbraw/zinc/15/36/68/369153668.db2.gz DDWDVBXAZWOWGO-AWEZNQCLSA-N 1 2 292.383 1.143 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2nc(C(C)C)no2)nn1 ZINC000630599110 369362473 /nfs/dbraw/zinc/36/24/73/369362473.db2.gz DWUINOSSJRZDNL-NSHDSACASA-N 1 2 288.355 1.507 20 30 CDEDLO COC(=O)[C@@H]([NH2+]CCOc1cccc(C#N)c1)C1CC1 ZINC000276510116 193361875 /nfs/dbraw/zinc/36/18/75/193361875.db2.gz ZKCKQFPOAFWICP-AWEZNQCLSA-N 1 2 274.320 1.478 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)CC(C)(C)CC(C)=O)CC1 ZINC000276561715 193380834 /nfs/dbraw/zinc/38/08/34/193380834.db2.gz SREDSPHQAFESEA-UHFFFAOYSA-N 1 2 278.396 1.549 20 30 CDEDLO N#Cc1c(Cl)nsc1NC[C@@H]1C[NH+]2CCN1CC2 ZINC000269476342 370230289 /nfs/dbraw/zinc/23/02/89/370230289.db2.gz KIOIWOAMGAQNOA-MRVPVSSYSA-N 1 2 283.788 1.080 20 30 CDEDLO O=C(NCC#Cc1ccccc1)[C@H]1CCc2c[nH+]cn2C1 ZINC000564745066 370251598 /nfs/dbraw/zinc/25/15/98/370251598.db2.gz IHZOEEJBSBZEAY-HNNXBMFYSA-N 1 2 279.343 1.613 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000565665125 370503952 /nfs/dbraw/zinc/50/39/52/370503952.db2.gz JURLWTDAMOLKRJ-LLVKDONJSA-N 1 2 276.296 1.476 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCOC[C@@H]1C1CCC1)C1CC1 ZINC000573841488 371678446 /nfs/dbraw/zinc/67/84/46/371678446.db2.gz VWFJUZCACBOOQD-ZBFHGGJFSA-N 1 2 291.395 1.296 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCOC[C@@H]1C1CCC1)C1CC1 ZINC000573841488 371678448 /nfs/dbraw/zinc/67/84/48/371678448.db2.gz VWFJUZCACBOOQD-ZBFHGGJFSA-N 1 2 291.395 1.296 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000180920250 372449334 /nfs/dbraw/zinc/44/93/34/372449334.db2.gz QGDSPQRPBFMSPP-LLVKDONJSA-N 1 2 291.351 1.890 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181321443 372570421 /nfs/dbraw/zinc/57/04/21/372570421.db2.gz JVPUKNRKRJZFOL-MNOVXSKESA-N 1 2 296.333 1.655 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181321443 372570425 /nfs/dbraw/zinc/57/04/25/372570425.db2.gz JVPUKNRKRJZFOL-MNOVXSKESA-N 1 2 296.333 1.655 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000175394752 372658878 /nfs/dbraw/zinc/65/88/78/372658878.db2.gz FMPHORNBYCOITF-ODXCJYRJSA-N 1 2 294.420 1.719 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000175394752 372658884 /nfs/dbraw/zinc/65/88/84/372658884.db2.gz FMPHORNBYCOITF-ODXCJYRJSA-N 1 2 294.420 1.719 20 30 CDEDLO Cc1cc(N2CC[C@@H](c3nnc[nH]3)C2)c(C#N)c[nH+]1 ZINC000333392763 205283034 /nfs/dbraw/zinc/28/30/34/205283034.db2.gz DGJHUIQQGJEREY-SNVBAGLBSA-N 1 2 254.297 1.374 20 30 CDEDLO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1nncn1C ZINC000050419522 373131090 /nfs/dbraw/zinc/13/10/90/373131090.db2.gz VUZSBFSYPAGKCU-SECBINFHSA-N 1 2 259.288 1.677 20 30 CDEDLO COCCCNC(=O)C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191930439 373557230 /nfs/dbraw/zinc/55/72/30/373557230.db2.gz DEEOAEMZIPAREB-UHFFFAOYSA-N 1 2 293.342 1.282 20 30 CDEDLO COCCCNC(=O)C[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191930439 373557241 /nfs/dbraw/zinc/55/72/41/373557241.db2.gz DEEOAEMZIPAREB-UHFFFAOYSA-N 1 2 293.342 1.282 20 30 CDEDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192025124 373573123 /nfs/dbraw/zinc/57/31/23/373573123.db2.gz SFIOOFXICJPNDV-NSHDSACASA-N 1 2 298.383 1.952 20 30 CDEDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192025124 373573130 /nfs/dbraw/zinc/57/31/30/373573130.db2.gz SFIOOFXICJPNDV-NSHDSACASA-N 1 2 298.383 1.952 20 30 CDEDLO CNC(=O)C[NH+]1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000354700691 373809104 /nfs/dbraw/zinc/80/91/04/373809104.db2.gz HGHOFNBFHOJHAV-UHFFFAOYSA-N 1 2 292.770 1.080 20 30 CDEDLO CCOC(=O)C[C@H](C)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356404489 373843372 /nfs/dbraw/zinc/84/33/72/373843372.db2.gz BUEZVPXXFQFZJP-VIFPVBQESA-N 1 2 267.354 1.788 20 30 CDEDLO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356404489 373843377 /nfs/dbraw/zinc/84/33/77/373843377.db2.gz BUEZVPXXFQFZJP-VIFPVBQESA-N 1 2 267.354 1.788 20 30 CDEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccc(F)cn2)C(N)=O)cc1 ZINC000357512786 373916375 /nfs/dbraw/zinc/91/63/75/373916375.db2.gz RTQCGRVAGYPZKQ-AWEZNQCLSA-N 1 2 284.294 1.409 20 30 CDEDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cccnc1 ZINC000361089319 374033515 /nfs/dbraw/zinc/03/35/15/374033515.db2.gz VDOSTYSZZGTNEP-NHYWBVRUSA-N 1 2 280.331 1.830 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CC[S@@](=O)C1 ZINC000277438924 374788321 /nfs/dbraw/zinc/78/83/21/374788321.db2.gz JZVBMWQJIPPICM-BMLIUANNSA-N 1 2 268.407 1.820 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[S@@](=O)C1 ZINC000277438924 374788325 /nfs/dbraw/zinc/78/83/25/374788325.db2.gz JZVBMWQJIPPICM-BMLIUANNSA-N 1 2 268.407 1.820 20 30 CDEDLO N#Cc1ccc(NCC2([NH+]3CCOCC3)CC2)c(F)c1 ZINC000277456071 374788453 /nfs/dbraw/zinc/78/84/53/374788453.db2.gz OMGWZAJICOZJJK-UHFFFAOYSA-N 1 2 275.327 1.974 20 30 CDEDLO CC[C@H](CO)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000294140699 375193247 /nfs/dbraw/zinc/19/32/47/375193247.db2.gz PIMRLGYTBWPWFA-CYBMUJFWSA-N 1 2 296.392 1.035 20 30 CDEDLO CC[C@H](CO)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000294140699 375193252 /nfs/dbraw/zinc/19/32/52/375193252.db2.gz PIMRLGYTBWPWFA-CYBMUJFWSA-N 1 2 296.392 1.035 20 30 CDEDLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC1(C#N)CC1 ZINC000343239540 375817397 /nfs/dbraw/zinc/81/73/97/375817397.db2.gz QORMRJUCALNDII-NSHDSACASA-N 1 2 293.392 1.631 20 30 CDEDLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC1(C#N)CC1 ZINC000343239540 375817403 /nfs/dbraw/zinc/81/74/03/375817403.db2.gz QORMRJUCALNDII-NSHDSACASA-N 1 2 293.392 1.631 20 30 CDEDLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCC#CCO ZINC000425314897 375853666 /nfs/dbraw/zinc/85/36/66/375853666.db2.gz ARJAZVJVAIDPGE-CQSZACIVSA-N 1 2 283.331 1.044 20 30 CDEDLO C[C@@H]1C(=O)NCCN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328600007 375921111 /nfs/dbraw/zinc/92/11/11/375921111.db2.gz CPYGUUGEMIJYNJ-GHMZBOCLSA-N 1 2 291.355 1.335 20 30 CDEDLO CN(CC(=O)NC1CC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328905760 376021062 /nfs/dbraw/zinc/02/10/62/376021062.db2.gz BALCHNJEWCJNKO-SNVBAGLBSA-N 1 2 276.340 1.023 20 30 CDEDLO CC[C@H](C(=O)OC)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000171345426 376520995 /nfs/dbraw/zinc/52/09/95/376520995.db2.gz XNAQGQJJRPAUBS-CQSZACIVSA-N 1 2 287.363 1.632 20 30 CDEDLO CC1(C)C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H](CO)O1 ZINC000420946217 376491258 /nfs/dbraw/zinc/49/12/58/376491258.db2.gz UGNGQQISCUQMEP-HNNXBMFYSA-N 1 2 277.339 1.649 20 30 CDEDLO CC1(C)C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H](CO)O1 ZINC000420946217 376491261 /nfs/dbraw/zinc/49/12/61/376491261.db2.gz UGNGQQISCUQMEP-HNNXBMFYSA-N 1 2 277.339 1.649 20 30 CDEDLO Cc1nnc(NC[C@H](C)Cn2cc[nH+]c2)c(C#N)c1C ZINC000264032578 190089490 /nfs/dbraw/zinc/08/94/90/190089490.db2.gz SPBBBCAHBDZUGZ-JTQLQIEISA-N 1 2 270.340 1.910 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1ccccc1C#N ZINC000434704166 248131819 /nfs/dbraw/zinc/13/18/19/248131819.db2.gz CRPNSORWDMHOCJ-AWEZNQCLSA-N 1 2 273.380 1.711 20 30 CDEDLO CN1CC[C@H]([N@H+](C)Cc2cc(C#N)ccc2F)C1=O ZINC000265290046 190172677 /nfs/dbraw/zinc/17/26/77/190172677.db2.gz BCHMBDQCBYQGFV-ZDUSSCGKSA-N 1 2 261.300 1.360 20 30 CDEDLO CN1CC[C@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1=O ZINC000265290046 190172678 /nfs/dbraw/zinc/17/26/78/190172678.db2.gz BCHMBDQCBYQGFV-ZDUSSCGKSA-N 1 2 261.300 1.360 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000265787094 190206909 /nfs/dbraw/zinc/20/69/09/190206909.db2.gz SLYJZQOGKIFNLW-OLZOCXBDSA-N 1 2 265.357 1.617 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000572133769 377734633 /nfs/dbraw/zinc/73/46/33/377734633.db2.gz MGWCECVBSSTRHK-VIFPVBQESA-N 1 2 259.300 1.239 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000133851156 377975710 /nfs/dbraw/zinc/97/57/10/377975710.db2.gz NMZFTLOKBOFGMC-NSHDSACASA-N 1 2 276.767 1.836 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000133851156 377975716 /nfs/dbraw/zinc/97/57/16/377975716.db2.gz NMZFTLOKBOFGMC-NSHDSACASA-N 1 2 276.767 1.836 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000133882811 377989041 /nfs/dbraw/zinc/98/90/41/377989041.db2.gz JVLZEMXMOVHVAM-LLVKDONJSA-N 1 2 260.312 1.322 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCc2ccc(F)cc2C1 ZINC000133882811 377989046 /nfs/dbraw/zinc/98/90/46/377989046.db2.gz JVLZEMXMOVHVAM-LLVKDONJSA-N 1 2 260.312 1.322 20 30 CDEDLO Cc1nccc(N2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)n1 ZINC000191493941 378072156 /nfs/dbraw/zinc/07/21/56/378072156.db2.gz NIROVCSGEBVCBE-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO C[C@@H]1CC(C(=O)N[C@](C)(C#N)C[NH+](C)C)C[C@@H](C)O1 ZINC000574693862 335040496 /nfs/dbraw/zinc/04/04/96/335040496.db2.gz DUBPJXWTLMETDE-JTNHKYCSSA-N 1 2 267.373 1.150 20 30 CDEDLO C=CCCOCCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000192347619 378186993 /nfs/dbraw/zinc/18/69/93/378186993.db2.gz REHNFNURJKTIRY-UHFFFAOYSA-N 1 2 278.356 1.318 20 30 CDEDLO C=CCCOCCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000192347619 378186997 /nfs/dbraw/zinc/18/69/97/378186997.db2.gz REHNFNURJKTIRY-UHFFFAOYSA-N 1 2 278.356 1.318 20 30 CDEDLO O=C(C#Cc1ccc2c(c1)OCO2)NCCCn1cc[nH+]c1 ZINC000136065066 378312475 /nfs/dbraw/zinc/31/24/75/378312475.db2.gz WSYIJQFFPWDIAH-UHFFFAOYSA-N 1 2 297.314 1.170 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(O)ccc2Cl)CC1 ZINC000290270670 378371181 /nfs/dbraw/zinc/37/11/81/378371181.db2.gz YLPNAUMUTBPMPY-UHFFFAOYSA-N 1 2 292.766 1.827 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425555036 378485231 /nfs/dbraw/zinc/48/52/31/378485231.db2.gz YFJLDKTTXWVFFZ-UKRRQHHQSA-N 1 2 294.782 1.750 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425555036 378485234 /nfs/dbraw/zinc/48/52/34/378485234.db2.gz YFJLDKTTXWVFFZ-UKRRQHHQSA-N 1 2 294.782 1.750 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NC(=O)Nc1ccc(C)cc1C ZINC000293024474 378545535 /nfs/dbraw/zinc/54/55/35/378545535.db2.gz FUIUXOQTDILMGZ-UHFFFAOYSA-N 1 2 287.363 1.907 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NC(=O)Nc1ccc(C)cc1C ZINC000293024474 378545542 /nfs/dbraw/zinc/54/55/42/378545542.db2.gz FUIUXOQTDILMGZ-UHFFFAOYSA-N 1 2 287.363 1.907 20 30 CDEDLO C=CCOCC[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000292981518 378533317 /nfs/dbraw/zinc/53/33/17/378533317.db2.gz FJHDFIDESMEPSL-UHFFFAOYSA-N 1 2 283.393 1.725 20 30 CDEDLO C=CCOCC[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000292981518 378533325 /nfs/dbraw/zinc/53/33/25/378533325.db2.gz FJHDFIDESMEPSL-UHFFFAOYSA-N 1 2 283.393 1.725 20 30 CDEDLO C=C(C)CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000343689003 378950253 /nfs/dbraw/zinc/95/02/53/378950253.db2.gz ZJFAEZDPJHLPDN-CHWSQXEVSA-N 1 2 259.353 1.846 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000278983280 194240175 /nfs/dbraw/zinc/24/01/75/194240175.db2.gz YRFDIHKTNGBQLC-OAHLLOKOSA-N 1 2 273.336 1.586 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000266885894 190287322 /nfs/dbraw/zinc/28/73/22/190287322.db2.gz BMBQRNQTFUNFHY-UHFFFAOYSA-N 1 2 287.363 1.282 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000266885894 190287323 /nfs/dbraw/zinc/28/73/23/190287323.db2.gz BMBQRNQTFUNFHY-UHFFFAOYSA-N 1 2 287.363 1.282 20 30 CDEDLO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000266914117 190290322 /nfs/dbraw/zinc/29/03/22/190290322.db2.gz JWPWQKYMFDSUCF-LLVKDONJSA-N 1 2 275.308 1.877 20 30 CDEDLO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000266914117 190290323 /nfs/dbraw/zinc/29/03/23/190290323.db2.gz JWPWQKYMFDSUCF-LLVKDONJSA-N 1 2 275.308 1.877 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@H+](CCOc2ccccc2C#N)C1 ZINC000267613770 190341206 /nfs/dbraw/zinc/34/12/06/190341206.db2.gz BZPRSLHIGJXRCK-OAHLLOKOSA-N 1 2 292.310 1.524 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000267613770 190341207 /nfs/dbraw/zinc/34/12/07/190341207.db2.gz BZPRSLHIGJXRCK-OAHLLOKOSA-N 1 2 292.310 1.524 20 30 CDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000329031683 296321434 /nfs/dbraw/zinc/32/14/34/296321434.db2.gz BFNCTUDFYNAHPM-YVECIDJPSA-N 1 2 270.373 1.213 20 30 CDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000329031683 296321436 /nfs/dbraw/zinc/32/14/36/296321436.db2.gz BFNCTUDFYNAHPM-YVECIDJPSA-N 1 2 270.373 1.213 20 30 CDEDLO CCOC(=O)c1nn(C)cc1C[NH2+][C@H](CC)CC#N ZINC000186420049 262092338 /nfs/dbraw/zinc/09/23/38/262092338.db2.gz ORNVQUAIAOFWOC-LLVKDONJSA-N 1 2 264.329 1.379 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CC[C@@H](C)OC ZINC001663166557 1172647649 /nfs/dbraw/zinc/64/76/49/1172647649.db2.gz OMWQVTGKRJSRRQ-LLVKDONJSA-N 1 2 262.781 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CC[C@@H](C)OC ZINC001663166557 1172647651 /nfs/dbraw/zinc/64/76/51/1172647651.db2.gz OMWQVTGKRJSRRQ-LLVKDONJSA-N 1 2 262.781 1.602 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2c(C)noc2C)C1=O ZINC000281424330 195235255 /nfs/dbraw/zinc/23/52/55/195235255.db2.gz ZAZQWSFYBMZDHK-ZDUSSCGKSA-N 1 2 263.341 1.510 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2c(C)noc2C)C1=O ZINC000281424330 195235256 /nfs/dbraw/zinc/23/52/56/195235256.db2.gz ZAZQWSFYBMZDHK-ZDUSSCGKSA-N 1 2 263.341 1.510 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(OC)cn2)C1=O ZINC000281467188 195252629 /nfs/dbraw/zinc/25/26/29/195252629.db2.gz VSQGCCPZQHHMGQ-AWEZNQCLSA-N 1 2 275.352 1.309 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(OC)cn2)C1=O ZINC000281467188 195252631 /nfs/dbraw/zinc/25/26/31/195252631.db2.gz VSQGCCPZQHHMGQ-AWEZNQCLSA-N 1 2 275.352 1.309 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N[C@@H](C)CCC)C1=O ZINC000281493771 195263673 /nfs/dbraw/zinc/26/36/73/195263673.db2.gz XOMQLMIZPCNGDH-IHRRRGAJSA-N 1 2 295.427 1.398 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)CCC)C1=O ZINC000281493771 195263672 /nfs/dbraw/zinc/26/36/72/195263672.db2.gz XOMQLMIZPCNGDH-IHRRRGAJSA-N 1 2 295.427 1.398 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1noc(C)n1 ZINC000332402392 260004943 /nfs/dbraw/zinc/00/49/43/260004943.db2.gz WGAOGBZSFZAMGV-NWDGAFQWSA-N 1 2 251.330 1.842 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1noc(C)n1 ZINC000332402392 260004945 /nfs/dbraw/zinc/00/49/45/260004945.db2.gz WGAOGBZSFZAMGV-NWDGAFQWSA-N 1 2 251.330 1.842 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000332507119 260015335 /nfs/dbraw/zinc/01/53/35/260015335.db2.gz WAMLZUCDHUVNKB-DYEKYZERSA-N 1 2 264.373 1.521 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)C[C@H](C)C#N ZINC000332507119 260015336 /nfs/dbraw/zinc/01/53/36/260015336.db2.gz WAMLZUCDHUVNKB-DYEKYZERSA-N 1 2 264.373 1.521 20 30 CDEDLO N#CCCCS(=O)(=O)NCCc1cn2ccccc2[nH+]1 ZINC000104109781 390485092 /nfs/dbraw/zinc/48/50/92/390485092.db2.gz MXNIBTSWKSBGNC-UHFFFAOYSA-N 1 2 292.364 1.100 20 30 CDEDLO CCOc1cc(C)nc(N2CC[NH+](CCCC#N)CC2)n1 ZINC000105868710 390521846 /nfs/dbraw/zinc/52/18/46/390521846.db2.gz ADUZKHWAEIEZLR-UHFFFAOYSA-N 1 2 289.383 1.610 20 30 CDEDLO N#Cc1ccc([C@@H]([NH2+][C@H]2CCC[C@H]2F)C(N)=O)cc1 ZINC000419214834 390546785 /nfs/dbraw/zinc/54/67/85/390546785.db2.gz YCSRUJIRTLPFGI-FRRDWIJNSA-N 1 2 261.300 1.565 20 30 CDEDLO CCc1nc(CO[NH+]=C(N)c2ccc(F)c(C)c2)no1 ZINC000109062367 390628895 /nfs/dbraw/zinc/62/88/95/390628895.db2.gz BDYLZTGSCZTJLR-UHFFFAOYSA-N 1 2 278.287 1.917 20 30 CDEDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C[C@H]1C ZINC000451556030 390631427 /nfs/dbraw/zinc/63/14/27/390631427.db2.gz CMJKOTXNPPHKDT-ZYHUDNBSSA-N 1 2 293.392 1.915 20 30 CDEDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C[C@H]1C ZINC000451556030 390631433 /nfs/dbraw/zinc/63/14/33/390631433.db2.gz CMJKOTXNPPHKDT-ZYHUDNBSSA-N 1 2 293.392 1.915 20 30 CDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccc(C#N)cc1F ZINC000112335654 390686324 /nfs/dbraw/zinc/68/63/24/390686324.db2.gz TWQLPPDKSLDCKT-UHFFFAOYSA-N 1 2 292.314 1.401 20 30 CDEDLO CC#CCCN1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000368149785 390865455 /nfs/dbraw/zinc/86/54/55/390865455.db2.gz UYKYEBJRUVMFGC-INIZCTEOSA-N 1 2 296.374 1.529 20 30 CDEDLO NC(CCO)=[NH+]OCc1coc(-c2cccs2)n1 ZINC000136067157 390940903 /nfs/dbraw/zinc/94/09/03/390940903.db2.gz SZQZYULEYZQWDY-UHFFFAOYSA-N 1 2 267.310 1.574 20 30 CDEDLO C[C@@H](O[NH+]=C(N)CCO)C(=O)NCc1ccccc1Cl ZINC000136065471 390940954 /nfs/dbraw/zinc/94/09/54/390940954.db2.gz DKHRFPKKOGBKJG-SECBINFHSA-N 1 2 299.758 1.016 20 30 CDEDLO Cc1cccnc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000093178321 390900718 /nfs/dbraw/zinc/90/07/18/390900718.db2.gz IFKGVZFDMCKZHG-UHFFFAOYSA-N 1 2 288.395 1.438 20 30 CDEDLO CC#CCCN1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000156032290 390920962 /nfs/dbraw/zinc/92/09/62/390920962.db2.gz OOBPTDNMTMGGLQ-HNNXBMFYSA-N 1 2 277.412 1.028 20 30 CDEDLO C=CCC[C@H]([NH2+]Cc1c[nH]c2nccnc12)C(=O)OCC ZINC000449653514 390921468 /nfs/dbraw/zinc/92/14/68/390921468.db2.gz CIOMRFLYUQPLSR-LBPRGKRZSA-N 1 2 288.351 1.897 20 30 CDEDLO N#CCCN(CC1CC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000156519605 390922774 /nfs/dbraw/zinc/92/27/74/390922774.db2.gz ALRNHWVCPIVNAL-ZDUSSCGKSA-N 1 2 272.352 1.598 20 30 CDEDLO C#CCO[C@H](C)C(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000295101267 391055310 /nfs/dbraw/zinc/05/53/10/391055310.db2.gz HDINBQIVMAFXGX-KGLIPLIRSA-N 1 2 289.379 1.995 20 30 CDEDLO Cc1cnc(CO[NH+]=C(N)Cc2csc(C)n2)o1 ZINC000174120727 391116680 /nfs/dbraw/zinc/11/66/80/391116680.db2.gz ATRHGQWAULCVHU-UHFFFAOYSA-N 1 2 266.326 1.779 20 30 CDEDLO CC(C)CCNC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352469477 391149459 /nfs/dbraw/zinc/14/94/59/391149459.db2.gz XXWAXULXBBVDQE-GFCCVEGCSA-N 1 2 269.364 1.865 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000352434523 391136567 /nfs/dbraw/zinc/13/65/67/391136567.db2.gz XDFYBIZPZKVQMS-UKRRQHHQSA-N 1 2 284.400 1.052 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000352434523 391136570 /nfs/dbraw/zinc/13/65/70/391136570.db2.gz XDFYBIZPZKVQMS-UKRRQHHQSA-N 1 2 284.400 1.052 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000491464206 391136843 /nfs/dbraw/zinc/13/68/43/391136843.db2.gz QLTGZYAIYCFHCF-ZFWWWQNUSA-N 1 2 270.332 1.811 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000491464206 391136847 /nfs/dbraw/zinc/13/68/47/391136847.db2.gz QLTGZYAIYCFHCF-ZFWWWQNUSA-N 1 2 270.332 1.811 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccn(CCC#N)n1 ZINC000265457904 391156525 /nfs/dbraw/zinc/15/65/25/391156525.db2.gz WEGFJVRDCVIOFM-LLVKDONJSA-N 1 2 287.327 1.203 20 30 CDEDLO N#CCCCCS(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178404811 391185939 /nfs/dbraw/zinc/18/59/39/391185939.db2.gz DNWWXWLSQLKJFT-UHFFFAOYSA-N 1 2 292.364 1.448 20 30 CDEDLO C=CCOCCCC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000345422380 391187329 /nfs/dbraw/zinc/18/73/29/391187329.db2.gz GBIDSULISCDVTD-CQSZACIVSA-N 1 2 284.400 1.148 20 30 CDEDLO C[C@@H](C#N)CN(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000268497260 391218202 /nfs/dbraw/zinc/21/82/02/391218202.db2.gz ABZQGDAYSULOGJ-NSHDSACASA-N 1 2 271.324 1.635 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000375952620 391208440 /nfs/dbraw/zinc/20/84/40/391208440.db2.gz BYVHGVMXQOMDPM-CKNLXJGOSA-N 1 2 298.452 1.276 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000375952620 391208442 /nfs/dbraw/zinc/20/84/42/391208442.db2.gz BYVHGVMXQOMDPM-CKNLXJGOSA-N 1 2 298.452 1.276 20 30 CDEDLO C=C(C)[C@H](CC(=O)NC[C@H](C)[NH+]1CCN(C)CC1)OCC ZINC000339367679 391292410 /nfs/dbraw/zinc/29/24/10/391292410.db2.gz HYDKAEQYFCTSDI-GJZGRUSLSA-N 1 2 297.443 1.110 20 30 CDEDLO C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccccc1F ZINC000583696547 391304283 /nfs/dbraw/zinc/30/42/83/391304283.db2.gz AKMPDOBMIYOOAX-ABAIWWIYSA-N 1 2 277.343 1.889 20 30 CDEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000339759522 391350159 /nfs/dbraw/zinc/35/01/59/391350159.db2.gz FABRPPYBIGMLFN-LBPRGKRZSA-N 1 2 262.357 1.319 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000339759522 391350162 /nfs/dbraw/zinc/35/01/62/391350162.db2.gz FABRPPYBIGMLFN-LBPRGKRZSA-N 1 2 262.357 1.319 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000346998874 391382458 /nfs/dbraw/zinc/38/24/58/391382458.db2.gz YFCIQCHGKXSLHP-GFCCVEGCSA-N 1 2 293.411 1.827 20 30 CDEDLO CC(C)(C)[C@@H]1C[C@@H](NC(=O)NCCn2cc[nH+]c2)CCO1 ZINC000330529163 391443593 /nfs/dbraw/zinc/44/35/93/391443593.db2.gz QTGNTYMXZXYRGM-STQMWFEESA-N 1 2 294.399 1.980 20 30 CDEDLO Cc1cc(=NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)[nH]n1CCC#N ZINC000330571865 391449399 /nfs/dbraw/zinc/44/93/99/391449399.db2.gz FYORDUIYRPOXEL-TXEJJXNPSA-N 1 2 289.383 1.338 20 30 CDEDLO Cc1cc(=NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)[nH]n1CCC#N ZINC000330571865 391449404 /nfs/dbraw/zinc/44/94/04/391449404.db2.gz FYORDUIYRPOXEL-TXEJJXNPSA-N 1 2 289.383 1.338 20 30 CDEDLO C=CCCC1(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000355414237 391454676 /nfs/dbraw/zinc/45/46/76/391454676.db2.gz ANLNRJBJLIUVDQ-GFCCVEGCSA-N 1 2 252.358 1.180 20 30 CDEDLO C=CCCC1(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000355414237 391454680 /nfs/dbraw/zinc/45/46/80/391454680.db2.gz ANLNRJBJLIUVDQ-GFCCVEGCSA-N 1 2 252.358 1.180 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C)C1=O ZINC000330403512 391416728 /nfs/dbraw/zinc/41/67/28/391416728.db2.gz VLGOVCGIBRVBTJ-NWDGAFQWSA-N 1 2 281.400 1.008 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)C1=O ZINC000330403512 391416731 /nfs/dbraw/zinc/41/67/31/391416731.db2.gz VLGOVCGIBRVBTJ-NWDGAFQWSA-N 1 2 281.400 1.008 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCOCC12CCCC2 ZINC000367096876 391563291 /nfs/dbraw/zinc/56/32/91/391563291.db2.gz STFKJKDGNAJLOR-UHFFFAOYSA-N 1 2 279.384 1.394 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCOCC12CCCC2 ZINC000367096876 391563294 /nfs/dbraw/zinc/56/32/94/391563294.db2.gz STFKJKDGNAJLOR-UHFFFAOYSA-N 1 2 279.384 1.394 20 30 CDEDLO C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccon1 ZINC000349251404 391539853 /nfs/dbraw/zinc/53/98/53/391539853.db2.gz RAEIWDYQMGNLMH-RNCFNFMXSA-N 1 2 262.313 1.134 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000412451708 391620124 /nfs/dbraw/zinc/62/01/24/391620124.db2.gz XLGYRIJZWWSKHI-UHFFFAOYSA-N 1 2 298.427 1.394 20 30 CDEDLO C[C@H](C(=O)NCCc1ccccc1)[N@@H+](C)C[C@H](C)C#N ZINC000358993774 391572045 /nfs/dbraw/zinc/57/20/45/391572045.db2.gz ZUJWYTLVKGVPLE-ZIAGYGMSSA-N 1 2 273.380 1.825 20 30 CDEDLO C[C@H](C(=O)NCCc1ccccc1)[N@H+](C)C[C@H](C)C#N ZINC000358993774 391572048 /nfs/dbraw/zinc/57/20/48/391572048.db2.gz ZUJWYTLVKGVPLE-ZIAGYGMSSA-N 1 2 273.380 1.825 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000335837900 391589667 /nfs/dbraw/zinc/58/96/67/391589667.db2.gz HODVFUUPFFXMBW-JTQLQIEISA-N 1 2 260.341 1.838 20 30 CDEDLO CC[C@@H](CC#N)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000192242243 391716026 /nfs/dbraw/zinc/71/60/26/391716026.db2.gz TUPVWKUORIIYQN-JSGCOSHPSA-N 1 2 279.384 1.438 20 30 CDEDLO CC[C@@H](CC#N)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000192242243 391716028 /nfs/dbraw/zinc/71/60/28/391716028.db2.gz TUPVWKUORIIYQN-JSGCOSHPSA-N 1 2 279.384 1.438 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)C1=O ZINC000281959902 391666762 /nfs/dbraw/zinc/66/67/62/391666762.db2.gz KIDIKUDUCICBFU-CHWSQXEVSA-N 1 2 289.383 1.079 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)C1=O ZINC000281959902 391666770 /nfs/dbraw/zinc/66/67/70/391666770.db2.gz KIDIKUDUCICBFU-CHWSQXEVSA-N 1 2 289.383 1.079 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)C1=O ZINC000281959902 391666774 /nfs/dbraw/zinc/66/67/74/391666774.db2.gz KIDIKUDUCICBFU-CHWSQXEVSA-N 1 2 289.383 1.079 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)C1=O ZINC000281959902 391666778 /nfs/dbraw/zinc/66/67/78/391666778.db2.gz KIDIKUDUCICBFU-CHWSQXEVSA-N 1 2 289.383 1.079 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)C1=O ZINC000281959902 391666783 /nfs/dbraw/zinc/66/67/83/391666783.db2.gz KIDIKUDUCICBFU-CHWSQXEVSA-N 1 2 289.383 1.079 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)C1=O ZINC000281959902 391666789 /nfs/dbraw/zinc/66/67/89/391666789.db2.gz KIDIKUDUCICBFU-CHWSQXEVSA-N 1 2 289.383 1.079 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCn3cccc3[C@@H]2C)C1=O ZINC000281897538 391673174 /nfs/dbraw/zinc/67/31/74/391673174.db2.gz FKQFDRXWJFHRQU-JSGCOSHPSA-N 1 2 259.353 1.652 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCn3cccc3[C@@H]2C)C1=O ZINC000281897538 391673176 /nfs/dbraw/zinc/67/31/76/391673176.db2.gz FKQFDRXWJFHRQU-JSGCOSHPSA-N 1 2 259.353 1.652 20 30 CDEDLO C=C[C@H](C)NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000362370896 391720929 /nfs/dbraw/zinc/72/09/29/391720929.db2.gz ODBJGZXAKWEQDH-LBPRGKRZSA-N 1 2 294.424 1.935 20 30 CDEDLO C=C[C@H](C)NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000362370896 391720931 /nfs/dbraw/zinc/72/09/31/391720931.db2.gz ODBJGZXAKWEQDH-LBPRGKRZSA-N 1 2 294.424 1.935 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(Cl)cn1 ZINC000520249257 391772990 /nfs/dbraw/zinc/77/29/90/391772990.db2.gz RYJKUCYGGRKSFM-JTQLQIEISA-N 1 2 266.732 1.955 20 30 CDEDLO C[C@H](O)[C@@H]1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000329759167 391773149 /nfs/dbraw/zinc/77/31/49/391773149.db2.gz ONEOJFPZVLQVJH-RWMBFGLXSA-N 1 2 292.383 1.377 20 30 CDEDLO O=C(CCn1cc[nH+]c1)N[C@H]1CCc2c[nH]nc2C1 ZINC000329879320 391794224 /nfs/dbraw/zinc/79/42/24/391794224.db2.gz MBKBDPJIZKJIMA-NSHDSACASA-N 1 2 259.313 1.510 20 30 CDEDLO O=C(N[C@@H]1CCc2cn[nH]c2C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330232734 391814766 /nfs/dbraw/zinc/81/47/66/391814766.db2.gz RTPSAHRCSUTBSR-RISCZKNCSA-N 1 2 274.368 1.850 20 30 CDEDLO O=C(N[C@@H]1CCc2cn[nH]c2C1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330232734 391814768 /nfs/dbraw/zinc/81/47/68/391814768.db2.gz RTPSAHRCSUTBSR-RISCZKNCSA-N 1 2 274.368 1.850 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCCO1 ZINC000330240829 391814991 /nfs/dbraw/zinc/81/49/91/391814991.db2.gz BOGRTROYWGVRRG-NEPJUHHUSA-N 1 2 278.356 1.223 20 30 CDEDLO N#Cc1cccc(NC(=O)NCc2ccc(N)[nH+]c2)c1 ZINC000192030389 392008942 /nfs/dbraw/zinc/00/89/42/392008942.db2.gz AUDBQDFPMLOXMM-UHFFFAOYSA-N 1 2 267.292 1.857 20 30 CDEDLO C=CCOCCNc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000649321790 392018263 /nfs/dbraw/zinc/01/82/63/392018263.db2.gz KOYKBUPQYINUFM-UHFFFAOYSA-N 1 2 272.352 1.732 20 30 CDEDLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459493317 392447019 /nfs/dbraw/zinc/44/70/19/392447019.db2.gz PGSKLEFSPWKLFK-JQWIXIFHSA-N 1 2 275.308 1.812 20 30 CDEDLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459493317 392447022 /nfs/dbraw/zinc/44/70/22/392447022.db2.gz PGSKLEFSPWKLFK-JQWIXIFHSA-N 1 2 275.308 1.812 20 30 CDEDLO CO[C@@H]1COC[C@@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000459828356 392510660 /nfs/dbraw/zinc/51/06/60/392510660.db2.gz OADKPFINJZBVBI-QWHCGFSZSA-N 1 2 250.273 1.201 20 30 CDEDLO C=CCCOCC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619889199 392772087 /nfs/dbraw/zinc/77/20/87/392772087.db2.gz WANABXZATBBWGP-UHFFFAOYSA-N 1 2 296.411 1.150 20 30 CDEDLO Cc1nc(C(=O)N2CC(n3cc[nH+]c3)C2)ccc1C#N ZINC000523690270 392892438 /nfs/dbraw/zinc/89/24/38/392892438.db2.gz LYXXSKVIZVOLDG-UHFFFAOYSA-N 1 2 267.292 1.155 20 30 CDEDLO Cc1cc(N2CCN(Cc3[nH]cc[nH+]3)CC2)c(C#N)cn1 ZINC000425234116 392999036 /nfs/dbraw/zinc/99/90/36/392999036.db2.gz WYWRHKXUJXXCGJ-UHFFFAOYSA-N 1 2 282.351 1.307 20 30 CDEDLO Cc1cc(NC[C@](C)(O)C(=O)OC(C)(C)C)c(C#N)c[nH+]1 ZINC000425247034 393003489 /nfs/dbraw/zinc/00/34/89/393003489.db2.gz XJYQNUIVHCVYKI-HNNXBMFYSA-N 1 2 291.351 1.188 20 30 CDEDLO Cc1cc(NCCc2csc(=O)[nH]2)c(C#N)c[nH+]1 ZINC000425259330 393007344 /nfs/dbraw/zinc/00/73/44/393007344.db2.gz VBOYNYYURUNWKO-UHFFFAOYSA-N 1 2 260.322 1.500 20 30 CDEDLO CCc1nnc(N2CC(n3cc[nH+]c3)C2)c(C#N)c1CC ZINC000532342331 393071652 /nfs/dbraw/zinc/07/16/52/393071652.db2.gz MWNOPEJZMZAPDX-UHFFFAOYSA-N 1 2 282.351 1.731 20 30 CDEDLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000487909843 393325876 /nfs/dbraw/zinc/32/58/76/393325876.db2.gz CMNGNODANUAILA-LSDHHAIUSA-N 1 2 288.347 1.629 20 30 CDEDLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000487909843 393325884 /nfs/dbraw/zinc/32/58/84/393325884.db2.gz CMNGNODANUAILA-LSDHHAIUSA-N 1 2 288.347 1.629 20 30 CDEDLO CC[C@H]1C[N@H+](CCNc2nccc(C#N)c2Cl)CCO1 ZINC000343110826 152035468 /nfs/dbraw/zinc/03/54/68/152035468.db2.gz UHQNAQKDVLCSLB-LBPRGKRZSA-N 1 2 294.786 1.551 20 30 CDEDLO CC[C@H]1C[N@@H+](CCNc2nccc(C#N)c2Cl)CCO1 ZINC000343110826 152035471 /nfs/dbraw/zinc/03/54/71/152035471.db2.gz UHQNAQKDVLCSLB-LBPRGKRZSA-N 1 2 294.786 1.551 20 30 CDEDLO N#Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccccc2)s1 ZINC000343154196 152051329 /nfs/dbraw/zinc/05/13/29/152051329.db2.gz PULDWQHSGBCBRY-ZDUSSCGKSA-N 1 2 271.345 1.936 20 30 CDEDLO C[C@H]([NH2+]Cc1nnnn1CC1CC1)c1cccc(C#N)c1 ZINC000343681894 152265478 /nfs/dbraw/zinc/26/54/78/152265478.db2.gz GUFIOYFQBOKFKB-NSHDSACASA-N 1 2 282.351 1.806 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000658333717 413375624 /nfs/dbraw/zinc/37/56/24/413375624.db2.gz RKJGWAUUGLGNBN-NWDGAFQWSA-N 1 2 258.325 1.465 20 30 CDEDLO N#Cc1cnc2ccccc2c1NCC[NH+]1CCOCC1 ZINC000037413193 173189649 /nfs/dbraw/zinc/18/96/49/173189649.db2.gz YTJTXUQPYYVGSD-UHFFFAOYSA-N 1 2 282.347 1.851 20 30 CDEDLO N#CCCNC(=O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000040473426 174281956 /nfs/dbraw/zinc/28/19/56/174281956.db2.gz GZRYTRUHFHCVKN-SECBINFHSA-N 1 2 263.263 1.291 20 30 CDEDLO N#CCCNC(=O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000040473426 174281957 /nfs/dbraw/zinc/28/19/57/174281957.db2.gz GZRYTRUHFHCVKN-SECBINFHSA-N 1 2 263.263 1.291 20 30 CDEDLO Cn1cc[nH+]c1CNc1ncc([N+](=O)[O-])cc1C#N ZINC000071274314 176105592 /nfs/dbraw/zinc/10/55/92/176105592.db2.gz BPAPIPNSKNUGKZ-UHFFFAOYSA-N 1 2 258.241 1.207 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)CCO1 ZINC000076905482 177130851 /nfs/dbraw/zinc/13/08/51/177130851.db2.gz NPDCPHOZJLACHG-QWHCGFSZSA-N 1 2 267.373 1.105 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)CCO1 ZINC000076905482 177130852 /nfs/dbraw/zinc/13/08/52/177130852.db2.gz NPDCPHOZJLACHG-QWHCGFSZSA-N 1 2 267.373 1.105 20 30 CDEDLO N#CCCn1ccc(=NC(=O)Cc2cn3ccccc3[nH+]2)[nH]1 ZINC000344280674 225013519 /nfs/dbraw/zinc/01/35/19/225013519.db2.gz YWIQSTJHFDMYGC-UHFFFAOYSA-N 1 2 294.318 1.048 20 30 CDEDLO C[C@@H](C#N)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000347060490 226008494 /nfs/dbraw/zinc/00/84/94/226008494.db2.gz CPBQJNGNXVBEJZ-LBPRGKRZSA-N 1 2 272.352 1.848 20 30 CDEDLO O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1CCS(=O)(=O)C1 ZINC000330028826 228021415 /nfs/dbraw/zinc/02/14/15/228021415.db2.gz PFXUUUSYRCUVNT-NSHDSACASA-N 1 2 293.348 1.226 20 30 CDEDLO Cc1nccc(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)n1 ZINC000330103073 228040396 /nfs/dbraw/zinc/04/03/96/228040396.db2.gz GBBPMNKIYSZBLQ-GHMZBOCLSA-N 1 2 293.371 1.220 20 30 CDEDLO [O-]C(NCC1CCSCC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330188010 228060075 /nfs/dbraw/zinc/06/00/75/228060075.db2.gz KVXSNWRRFDSPAZ-LBPRGKRZSA-N 1 2 294.424 1.845 20 30 CDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]CC1CCSCC1 ZINC000330188010 228060078 /nfs/dbraw/zinc/06/00/78/228060078.db2.gz KVXSNWRRFDSPAZ-LBPRGKRZSA-N 1 2 294.424 1.845 20 30 CDEDLO N#CCCn1ccc(NC(=O)Nc2ccn3cc[nH+]c3c2)n1 ZINC000353677666 228143906 /nfs/dbraw/zinc/14/39/06/228143906.db2.gz NYNDRWDRYRNHDV-UHFFFAOYSA-N 1 2 295.306 1.510 20 30 CDEDLO Cc1ccc(C(N)=[NH+]OCC(=O)N2CCCCC2)cc1F ZINC000077383631 260296666 /nfs/dbraw/zinc/29/66/66/260296666.db2.gz GASTWDODJCWDPA-UHFFFAOYSA-N 1 2 293.342 1.784 20 30 CDEDLO CCOc1cccc(CNC(=O)C[NH2+][C@@H](CC)CC#N)c1 ZINC000517956864 260328647 /nfs/dbraw/zinc/32/86/47/260328647.db2.gz KPSGCRDUYPBJED-AWEZNQCLSA-N 1 2 289.379 1.983 20 30 CDEDLO N#CCC[N@@H+](CC(=O)NCc1ccco1)CC1CC1 ZINC000081044409 260329878 /nfs/dbraw/zinc/32/98/78/260329878.db2.gz MMQNQOZQZGIGEV-UHFFFAOYSA-N 1 2 261.325 1.521 20 30 CDEDLO N#CCC[N@H+](CC(=O)NCc1ccco1)CC1CC1 ZINC000081044409 260329880 /nfs/dbraw/zinc/32/98/80/260329880.db2.gz MMQNQOZQZGIGEV-UHFFFAOYSA-N 1 2 261.325 1.521 20 30 CDEDLO C#CC[N@@H+](CC)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000490853435 261227521 /nfs/dbraw/zinc/22/75/21/261227521.db2.gz QYTNNCRTSMQLMM-LBPRGKRZSA-N 1 2 295.180 1.931 20 30 CDEDLO C#CC[N@H+](CC)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000490853435 261227524 /nfs/dbraw/zinc/22/75/24/261227524.db2.gz QYTNNCRTSMQLMM-LBPRGKRZSA-N 1 2 295.180 1.931 20 30 CDEDLO COCCOCCO[NH+]=C(N)COc1cccc(F)c1 ZINC000186832184 262112241 /nfs/dbraw/zinc/11/22/41/262112241.db2.gz IHDHNPOWUIRXBX-UHFFFAOYSA-N 1 2 286.303 1.156 20 30 CDEDLO CC[N@H+](CCn1cnc2ccccc2c1=O)C[C@H](C)C#N ZINC000117336414 262268639 /nfs/dbraw/zinc/26/86/39/262268639.db2.gz GYCSRAGSPPKZHL-CYBMUJFWSA-N 1 2 284.363 1.878 20 30 CDEDLO CC[N@@H+](CCn1cnc2ccccc2c1=O)C[C@H](C)C#N ZINC000117336414 262268641 /nfs/dbraw/zinc/26/86/41/262268641.db2.gz GYCSRAGSPPKZHL-CYBMUJFWSA-N 1 2 284.363 1.878 20 30 CDEDLO C#CC[N@@H+](CN1CC(=O)N(C)C1=O)[C@H]1CCc2ccccc21 ZINC000182268844 262276433 /nfs/dbraw/zinc/27/64/33/262276433.db2.gz COXQSURTPGRKHF-HNNXBMFYSA-N 1 2 297.358 1.461 20 30 CDEDLO C#CC[N@H+](CN1CC(=O)N(C)C1=O)[C@H]1CCc2ccccc21 ZINC000182268844 262276434 /nfs/dbraw/zinc/27/64/34/262276434.db2.gz COXQSURTPGRKHF-HNNXBMFYSA-N 1 2 297.358 1.461 20 30 CDEDLO C#CCCN1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000272068283 263002107 /nfs/dbraw/zinc/00/21/07/263002107.db2.gz YKTDNGIFKADRHT-UHFFFAOYSA-N 1 2 283.375 1.730 20 30 CDEDLO N#CCCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000273011269 263010842 /nfs/dbraw/zinc/01/08/42/263010842.db2.gz JGCFLCBPTLVLNW-UHFFFAOYSA-N 1 2 268.320 1.965 20 30 CDEDLO N#CCCCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000273591481 263018212 /nfs/dbraw/zinc/01/82/12/263018212.db2.gz QIZXRWHNELJSQW-UHFFFAOYSA-N 1 2 257.297 1.437 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000279457212 263055482 /nfs/dbraw/zinc/05/54/82/263055482.db2.gz ONYVUZDKDZJDID-YGRLFVJLSA-N 1 2 260.341 1.849 20 30 CDEDLO Cc1[nH]c[nH+]c1CC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000279457212 263055483 /nfs/dbraw/zinc/05/54/83/263055483.db2.gz ONYVUZDKDZJDID-YGRLFVJLSA-N 1 2 260.341 1.849 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)NCc1ccc(OCC#N)cc1 ZINC000280364866 263060525 /nfs/dbraw/zinc/06/05/25/263060525.db2.gz USWAVIIIJORRHL-UHFFFAOYSA-N 1 2 298.346 1.571 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(CC#N)cc1 ZINC000340124332 263073679 /nfs/dbraw/zinc/07/36/79/263073679.db2.gz LDXJTUOWEBUIBQ-ZDUSSCGKSA-N 1 2 287.363 1.203 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(CC#N)cc1 ZINC000340124332 263073680 /nfs/dbraw/zinc/07/36/80/263073680.db2.gz LDXJTUOWEBUIBQ-ZDUSSCGKSA-N 1 2 287.363 1.203 20 30 CDEDLO CC(C)(C)c1noc(CO[NH+]=C(N)[C@H]2CCCO2)n1 ZINC000284594047 263087555 /nfs/dbraw/zinc/08/75/55/263087555.db2.gz YDSGVYRHIKAUQC-MRVPVSSYSA-N 1 2 268.317 1.335 20 30 CDEDLO N#Cc1ccc(CO[NH+]=C(N)[C@H]2CCCO2)c(F)c1 ZINC000284623638 263087770 /nfs/dbraw/zinc/08/77/70/263087770.db2.gz ZRVDRHKJMTZGRU-GFCCVEGCSA-N 1 2 263.272 1.665 20 30 CDEDLO C[C@H]1OCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@H]1C ZINC000156559459 263120753 /nfs/dbraw/zinc/12/07/53/263120753.db2.gz HTCQPPDSQYZOAR-UONOGXRCSA-N 1 2 293.411 1.780 20 30 CDEDLO C[C@H]1OCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@H]1C ZINC000156559459 263120754 /nfs/dbraw/zinc/12/07/54/263120754.db2.gz HTCQPPDSQYZOAR-UONOGXRCSA-N 1 2 293.411 1.780 20 30 CDEDLO CN1C(=O)C[C@@H]([NH2+]CCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000298385262 263218656 /nfs/dbraw/zinc/21/86/56/263218656.db2.gz DMYCKHYOAQCYPG-TZMCWYRMSA-N 1 2 279.290 1.740 20 30 CDEDLO COc1cccc(CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N)c1 ZINC000299149254 263231621 /nfs/dbraw/zinc/23/16/21/263231621.db2.gz DGROVULDNQJLIW-CHWSQXEVSA-N 1 2 289.379 1.791 20 30 CDEDLO COc1cccc(CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N)c1 ZINC000299149254 263231622 /nfs/dbraw/zinc/23/16/22/263231622.db2.gz DGROVULDNQJLIW-CHWSQXEVSA-N 1 2 289.379 1.791 20 30 CDEDLO C[C@@H](CC#N)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000299694251 263252381 /nfs/dbraw/zinc/25/23/81/263252381.db2.gz XDIHKBSKEZNSOO-LBPRGKRZSA-N 1 2 268.320 1.963 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000120961847 263290093 /nfs/dbraw/zinc/29/00/93/263290093.db2.gz GFHFOQIRBHEAFA-UPJWGTAASA-N 1 2 267.373 1.104 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000120961847 263290095 /nfs/dbraw/zinc/29/00/95/263290095.db2.gz GFHFOQIRBHEAFA-UPJWGTAASA-N 1 2 267.373 1.104 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000121627131 263295452 /nfs/dbraw/zinc/29/54/52/263295452.db2.gz BLYLEFAMMCDAQJ-UHFFFAOYSA-N 1 2 279.296 1.660 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000121627131 263295453 /nfs/dbraw/zinc/29/54/53/263295453.db2.gz BLYLEFAMMCDAQJ-UHFFFAOYSA-N 1 2 279.296 1.660 20 30 CDEDLO C=CCOCCCC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000341700097 263346790 /nfs/dbraw/zinc/34/67/90/263346790.db2.gz ZQSUVAMVIPEDJN-AWEZNQCLSA-N 1 2 277.368 1.970 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000341701900 263346833 /nfs/dbraw/zinc/34/68/33/263346833.db2.gz BFZAPQZTLIBKAU-DGCLKSJQSA-N 1 2 277.368 1.969 20 30 CDEDLO C[C@H]1OCC[N@@H+](CC#CCN2CCO[C@@H](C)[C@@H]2C)[C@@H]1C ZINC000341873072 263361442 /nfs/dbraw/zinc/36/14/42/263361442.db2.gz RNKMASSTKBXSRI-GEEKYZPCSA-N 1 2 280.412 1.208 20 30 CDEDLO C[C@H]1OCC[N@H+](CC#CCN2CCO[C@@H](C)[C@@H]2C)[C@@H]1C ZINC000341873072 263361445 /nfs/dbraw/zinc/36/14/45/263361445.db2.gz RNKMASSTKBXSRI-GEEKYZPCSA-N 1 2 280.412 1.208 20 30 CDEDLO C[C@H]1OCCN(CC#CC[N@@H+]2CCO[C@@H](C)[C@@H]2C)[C@@H]1C ZINC000341873072 263361448 /nfs/dbraw/zinc/36/14/48/263361448.db2.gz RNKMASSTKBXSRI-GEEKYZPCSA-N 1 2 280.412 1.208 20 30 CDEDLO C[C@H]1OCCN(CC#CC[N@H+]2CCO[C@@H](C)[C@@H]2C)[C@@H]1C ZINC000341873072 263361450 /nfs/dbraw/zinc/36/14/50/263361450.db2.gz RNKMASSTKBXSRI-GEEKYZPCSA-N 1 2 280.412 1.208 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2ccc(OC)nn2)CC1 ZINC000341991566 263382181 /nfs/dbraw/zinc/38/21/81/263382181.db2.gz OJFNSGAYOHNRQI-UHFFFAOYSA-N 1 2 276.340 1.237 20 30 CDEDLO C[C@H](CNC(=O)N[C@H]1CSC1(C)C)[NH+]1CCOCC1 ZINC000328742836 263852198 /nfs/dbraw/zinc/85/21/98/263852198.db2.gz NBAJIZXDJDCOGO-MNOVXSKESA-N 1 2 287.429 1.105 20 30 CDEDLO CCN(CCC#N)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000330759973 264031092 /nfs/dbraw/zinc/03/10/92/264031092.db2.gz MMJICLYHYOPMSD-AWEZNQCLSA-N 1 2 279.384 1.392 20 30 CDEDLO CCN(CCC#N)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000330759973 264031094 /nfs/dbraw/zinc/03/10/94/264031094.db2.gz MMJICLYHYOPMSD-AWEZNQCLSA-N 1 2 279.384 1.392 20 30 CDEDLO CCN(CCC#N)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000330759974 264031301 /nfs/dbraw/zinc/03/13/01/264031301.db2.gz MMJICLYHYOPMSD-CQSZACIVSA-N 1 2 279.384 1.392 20 30 CDEDLO CCN(CCC#N)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000330759974 264031303 /nfs/dbraw/zinc/03/13/03/264031303.db2.gz MMJICLYHYOPMSD-CQSZACIVSA-N 1 2 279.384 1.392 20 30 CDEDLO CCc1occc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000331156021 264140723 /nfs/dbraw/zinc/14/07/23/264140723.db2.gz DHYYQPTUFFHNQH-NSHDSACASA-N 1 2 266.341 1.867 20 30 CDEDLO CCc1occc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000331156021 264140725 /nfs/dbraw/zinc/14/07/25/264140725.db2.gz DHYYQPTUFFHNQH-NSHDSACASA-N 1 2 266.341 1.867 20 30 CDEDLO CCc1nc(C)c(NC(=O)N2CC[NH+](CCO)CC2)s1 ZINC000331203035 264160920 /nfs/dbraw/zinc/16/09/20/264160920.db2.gz RFMGTOHESHEGAC-UHFFFAOYSA-N 1 2 298.412 1.169 20 30 CDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000053423158 264203818 /nfs/dbraw/zinc/20/38/18/264203818.db2.gz BHGZGSBQTSMXTM-UHFFFAOYSA-N 1 2 291.370 1.246 20 30 CDEDLO C=CC[N@H+](Cc1cc(C(C)=O)no1)[C@H](C)COC ZINC000661239295 424069864 /nfs/dbraw/zinc/06/98/64/424069864.db2.gz DXNXJNUOLRDUPO-SNVBAGLBSA-N 1 2 252.314 1.900 20 30 CDEDLO C=CC[N@@H+](Cc1cc(C(C)=O)no1)[C@H](C)COC ZINC000661239295 424069880 /nfs/dbraw/zinc/06/98/80/424069880.db2.gz DXNXJNUOLRDUPO-SNVBAGLBSA-N 1 2 252.314 1.900 20 30 CDEDLO C=C[C@@](C)(O)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000665479945 424603733 /nfs/dbraw/zinc/60/37/33/424603733.db2.gz JOOJMUVWFCTTPZ-OAHLLOKOSA-N 1 2 273.336 1.398 20 30 CDEDLO C=C[C@@H](CO)NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000356850113 266189155 /nfs/dbraw/zinc/18/91/55/266189155.db2.gz AIMXEHILLABAJP-QWRGUYRKSA-N 1 2 277.368 1.301 20 30 CDEDLO C=C[C@@H](CO)NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000356850113 266189157 /nfs/dbraw/zinc/18/91/57/266189157.db2.gz AIMXEHILLABAJP-QWRGUYRKSA-N 1 2 277.368 1.301 20 30 CDEDLO C=CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)C1CC1 ZINC000357576944 266329469 /nfs/dbraw/zinc/32/94/69/266329469.db2.gz AZVIUKGEYFJEQO-CHWSQXEVSA-N 1 2 281.400 1.456 20 30 CDEDLO CCO[C@@H]1C[C@@H](Nc2cc(C)[nH+]cc2C#N)[C@]12CCCO2 ZINC000514933268 267148835 /nfs/dbraw/zinc/14/88/35/267148835.db2.gz XKMPCPNSDXKQAT-BZUAXINKSA-N 1 2 287.363 1.822 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368975244 267215381 /nfs/dbraw/zinc/21/53/81/267215381.db2.gz QDXCJHGAXMKIPI-XQHKEYJVSA-N 1 2 260.341 1.016 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368975244 267215384 /nfs/dbraw/zinc/21/53/84/267215384.db2.gz QDXCJHGAXMKIPI-XQHKEYJVSA-N 1 2 260.341 1.016 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)CC#Cc1ccc(F)cc1 ZINC000279662606 274220097 /nfs/dbraw/zinc/22/00/97/274220097.db2.gz DBNTZPCAHFLYKG-HNNXBMFYSA-N 1 2 290.382 1.830 20 30 CDEDLO CC(C)(C)[N@H+](CC(N)=O)Cc1cccc(F)c1C#N ZINC000428396971 278339000 /nfs/dbraw/zinc/33/90/00/278339000.db2.gz FDRIUYQAYNJXCA-UHFFFAOYSA-N 1 2 263.316 1.783 20 30 CDEDLO CC(C)(C)[N@@H+](CC(N)=O)Cc1cccc(F)c1C#N ZINC000428396971 278339002 /nfs/dbraw/zinc/33/90/02/278339002.db2.gz FDRIUYQAYNJXCA-UHFFFAOYSA-N 1 2 263.316 1.783 20 30 CDEDLO CC[C@@H](CC#N)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001590419139 1173403378 /nfs/dbraw/zinc/40/33/78/1173403378.db2.gz DGFKXLGPSUCGTM-VIFPVBQESA-N 1 2 257.301 1.096 20 30 CDEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C#Cc1ccccc1 ZINC000291591043 289044828 /nfs/dbraw/zinc/04/48/28/289044828.db2.gz LFQNJIDIRCIBJQ-NVXWUHKLSA-N 1 2 298.386 1.360 20 30 CDEDLO Cn1cc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cn1 ZINC000154861217 289219725 /nfs/dbraw/zinc/21/97/25/289219725.db2.gz CJKHEQKXGXVZSD-UHFFFAOYSA-N 1 2 299.353 1.753 20 30 CDEDLO Cc1nc(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)ccc1C#N ZINC000456367336 293192524 /nfs/dbraw/zinc/19/25/24/293192524.db2.gz HDRKTHPUSSJDSU-RNCFNFMXSA-N 1 2 281.319 1.894 20 30 CDEDLO C[C@@H](CC(=O)Nc1nc(C#N)c(C#N)[nH]1)[C@H]1CCC[NH2+]C1 ZINC000563099616 293273853 /nfs/dbraw/zinc/27/38/53/293273853.db2.gz JVOWPYFWKDEWTF-UWVGGRQHSA-N 1 2 286.339 1.117 20 30 CDEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000565257138 293580961 /nfs/dbraw/zinc/58/09/61/293580961.db2.gz DPWMPKWQZXPMLZ-UHFFFAOYSA-N 1 2 295.346 1.518 20 30 CDEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1C[C@@]12CCOC2 ZINC000329609679 295384666 /nfs/dbraw/zinc/38/46/66/295384666.db2.gz NMEHQTSTRCUOPL-ISTVAULSSA-N 1 2 261.325 1.650 20 30 CDEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1C[C@@]12CCOC2 ZINC000329609679 295384668 /nfs/dbraw/zinc/38/46/68/295384668.db2.gz NMEHQTSTRCUOPL-ISTVAULSSA-N 1 2 261.325 1.650 20 30 CDEDLO N#Cc1nccc(N2CCCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000563426554 316307180 /nfs/dbraw/zinc/30/71/80/316307180.db2.gz NBISHAMCOASYLJ-JTQLQIEISA-N 1 2 254.297 1.803 20 30 CDEDLO CC[C@H](CC#N)[NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000575932589 328020332 /nfs/dbraw/zinc/02/03/32/328020332.db2.gz OLXYDBNGABLTHD-NEPJUHHUSA-N 1 2 275.356 1.197 20 30 CDEDLO C=CCn1c(=O)[nH]nc1SCCCc1c[nH+]cn1C ZINC000571226699 328093812 /nfs/dbraw/zinc/09/38/12/328093812.db2.gz UFQKSHYDYYWZLQ-UHFFFAOYSA-N 1 2 279.369 1.628 20 30 CDEDLO N#CCCN(Cc1ccccn1)C(=O)CCn1cc[nH+]c1 ZINC000264013452 328156979 /nfs/dbraw/zinc/15/69/79/328156979.db2.gz CBRABBXEFZVIEI-UHFFFAOYSA-N 1 2 283.335 1.611 20 30 CDEDLO CC[N@H+](CCC#N)C[C@H](O)COc1cccc(C(C)=O)c1 ZINC000267156869 328173479 /nfs/dbraw/zinc/17/34/79/328173479.db2.gz DTPYEUUTYPWZLZ-HNNXBMFYSA-N 1 2 290.363 1.864 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1cccc(C(C)=O)c1 ZINC000267156869 328173481 /nfs/dbraw/zinc/17/34/81/328173481.db2.gz DTPYEUUTYPWZLZ-HNNXBMFYSA-N 1 2 290.363 1.864 20 30 CDEDLO CN(C)c1ccc(CNC(=O)NCCCC#N)c[nH+]1 ZINC000273176325 328204442 /nfs/dbraw/zinc/20/44/42/328204442.db2.gz PPSOUSJAJXQAKR-UHFFFAOYSA-N 1 2 261.329 1.251 20 30 CDEDLO CCOc1ccccc1NC(=O)[C@H](C)O[NH+]=C(N)CCO ZINC000275536318 328215364 /nfs/dbraw/zinc/21/53/64/328215364.db2.gz RNMNIJUESAQUHV-JTQLQIEISA-N 1 2 295.339 1.084 20 30 CDEDLO CCC(CC)[C@H](C(=O)N[C@@H](CC)CC#N)[NH+]1CCOCC1 ZINC000183879882 329253833 /nfs/dbraw/zinc/25/38/33/329253833.db2.gz UVNDAUWZZURIED-LSDHHAIUSA-N 1 2 295.427 1.932 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1cccc(C(=O)NCC)c1 ZINC000121148710 328365276 /nfs/dbraw/zinc/36/52/76/328365276.db2.gz GJHZUKXOTZCOJR-UHFFFAOYSA-N 1 2 275.352 1.493 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1cccc(C(=O)NCC)c1 ZINC000121148710 328365277 /nfs/dbraw/zinc/36/52/77/328365277.db2.gz GJHZUKXOTZCOJR-UHFFFAOYSA-N 1 2 275.352 1.493 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CCc2ccccc2O1 ZINC000583938360 326802324 /nfs/dbraw/zinc/80/23/24/326802324.db2.gz USXCCLRWPIBPOM-GDBMZVCRSA-N 1 2 287.363 1.340 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000560321163 327299169 /nfs/dbraw/zinc/29/91/69/327299169.db2.gz LNYLVGSJGREVTE-KGLIPLIRSA-N 1 2 270.336 1.700 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000566429437 327361388 /nfs/dbraw/zinc/36/13/88/327361388.db2.gz VOROGBBGQVLTLF-SECBINFHSA-N 1 2 289.295 1.550 20 30 CDEDLO CC1CC(C#N)(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)C1 ZINC000561204824 327375312 /nfs/dbraw/zinc/37/53/12/327375312.db2.gz FALXUXDSARXCNT-IOSBVQAASA-N 1 2 291.395 1.248 20 30 CDEDLO C=CCCC(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000561694598 327411049 /nfs/dbraw/zinc/41/10/49/327411049.db2.gz OFCMIOJKNCDIJE-UHFFFAOYSA-N 1 2 287.367 1.612 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cncc2ccccc21 ZINC000570048520 327565160 /nfs/dbraw/zinc/56/51/60/327565160.db2.gz XZVHLTOQPOZJFO-INIZCTEOSA-N 1 2 282.347 1.808 20 30 CDEDLO N#CCCC1CC[NH+](Cc2nnnn2C2CC2)CC1 ZINC000583628529 328720289 /nfs/dbraw/zinc/72/02/89/328720289.db2.gz HZFPLBDJBOHJEE-UHFFFAOYSA-N 1 2 260.345 1.524 20 30 CDEDLO CC1(C)C[N@H+](CCNC(=O)NCCCCC#N)CCO1 ZINC000171437737 329076003 /nfs/dbraw/zinc/07/60/03/329076003.db2.gz OPJFOBDMGJDLIJ-UHFFFAOYSA-N 1 2 282.388 1.090 20 30 CDEDLO CC1(C)C[N@@H+](CCNC(=O)NCCCCC#N)CCO1 ZINC000171437737 329076005 /nfs/dbraw/zinc/07/60/05/329076005.db2.gz OPJFOBDMGJDLIJ-UHFFFAOYSA-N 1 2 282.388 1.090 20 30 CDEDLO CC[C@H](CC#N)[NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000582496082 329101031 /nfs/dbraw/zinc/10/10/31/329101031.db2.gz WZMWUQOIEBYREA-UKRRQHHQSA-N 1 2 282.347 1.945 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1(Cc2ccccc2)CC1 ZINC000582609411 329116231 /nfs/dbraw/zinc/11/62/31/329116231.db2.gz OWSTYGOMPLAKLD-MRXNPFEDSA-N 1 2 285.391 1.969 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)N1CCC(CC#N)CC1 ZINC000582703026 329126750 /nfs/dbraw/zinc/12/67/50/329126750.db2.gz KHWYLGNKMRJCBB-UHFFFAOYSA-N 1 2 288.351 1.925 20 30 CDEDLO CN(C)c1ccc(CNC(=O)NCC2(C#N)CCC2)c[nH+]1 ZINC000419430454 329728477 /nfs/dbraw/zinc/72/84/77/329728477.db2.gz VWEFTYAVECDTSE-UHFFFAOYSA-N 1 2 287.367 1.641 20 30 CDEDLO C=CCC[C@@H]1NC(=O)N(CCCNc2cccc[nH+]2)C1=O ZINC000419943909 329750742 /nfs/dbraw/zinc/75/07/42/329750742.db2.gz JKMZXKLQOMIGGH-LBPRGKRZSA-N 1 2 288.351 1.770 20 30 CDEDLO COCc1cccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000572309484 329971854 /nfs/dbraw/zinc/97/18/54/329971854.db2.gz HKAOHFAUPGRJKC-OAHLLOKOSA-N 1 2 275.352 1.407 20 30 CDEDLO C=CCn1cc(CN[C@H](c2[nH+]ccn2C)C2CC2)nn1 ZINC000424300944 330337686 /nfs/dbraw/zinc/33/76/86/330337686.db2.gz YTNLGALISIMSGL-ZDUSSCGKSA-N 1 2 272.356 1.439 20 30 CDEDLO C=CCn1cc(C[NH2+][C@H](c2nccn2C)C2CC2)nn1 ZINC000424300944 330337687 /nfs/dbraw/zinc/33/76/87/330337687.db2.gz YTNLGALISIMSGL-ZDUSSCGKSA-N 1 2 272.356 1.439 20 30 CDEDLO C=CCC[C@@H](CO)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000450903066 331005986 /nfs/dbraw/zinc/00/59/86/331005986.db2.gz YUGOPNPJZJWERI-LBPRGKRZSA-N 1 2 278.356 1.052 20 30 CDEDLO C=CCC[C@@H](CO)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000450903066 331005987 /nfs/dbraw/zinc/00/59/87/331005987.db2.gz YUGOPNPJZJWERI-LBPRGKRZSA-N 1 2 278.356 1.052 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000452446724 331064966 /nfs/dbraw/zinc/06/49/66/331064966.db2.gz CPCIQIHTYDQUAG-FRRDWIJNSA-N 1 2 289.379 1.921 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC000457396105 331221199 /nfs/dbraw/zinc/22/11/99/331221199.db2.gz YNUBSZYXEHTZCS-OLZOCXBDSA-N 1 2 278.356 1.306 20 30 CDEDLO C=C(CC)CNC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000459096625 331270183 /nfs/dbraw/zinc/27/01/83/331270183.db2.gz PVTOZTCJXZRADA-ZDUSSCGKSA-N 1 2 269.389 1.363 20 30 CDEDLO C=C(CC)CNC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000459096625 331270184 /nfs/dbraw/zinc/27/01/84/331270184.db2.gz PVTOZTCJXZRADA-ZDUSSCGKSA-N 1 2 269.389 1.363 20 30 CDEDLO C=CCn1cccc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000488869916 332030528 /nfs/dbraw/zinc/03/05/28/332030528.db2.gz RLHOJASPDTZJQO-ZDUSSCGKSA-N 1 2 277.368 1.125 20 30 CDEDLO C=CCn1cccc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000488869916 332030530 /nfs/dbraw/zinc/03/05/30/332030530.db2.gz RLHOJASPDTZJQO-ZDUSSCGKSA-N 1 2 277.368 1.125 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000491286084 332181198 /nfs/dbraw/zinc/18/11/98/332181198.db2.gz GVZLKWUJLJAWKJ-LLVKDONJSA-N 1 2 274.320 1.365 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000491286084 332181199 /nfs/dbraw/zinc/18/11/99/332181199.db2.gz GVZLKWUJLJAWKJ-LLVKDONJSA-N 1 2 274.320 1.365 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000491288727 332182306 /nfs/dbraw/zinc/18/23/06/332182306.db2.gz ULHIHHITSBQJQY-NSHDSACASA-N 1 2 298.302 1.874 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC=C(C)C)CCOC)n1 ZINC000491351374 332195471 /nfs/dbraw/zinc/19/54/71/332195471.db2.gz SWXIQKIWHRLVRF-UHFFFAOYSA-N 1 2 261.369 1.931 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC=C(C)C)CCOC)n1 ZINC000491351374 332195472 /nfs/dbraw/zinc/19/54/72/332195472.db2.gz SWXIQKIWHRLVRF-UHFFFAOYSA-N 1 2 261.369 1.931 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1Cc1cccc(-n2cccn2)c1 ZINC000491374674 332199883 /nfs/dbraw/zinc/19/98/83/332199883.db2.gz SBIFJKILQUMTDE-HNNXBMFYSA-N 1 2 267.332 1.706 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1Cc1cccc(-n2cccn2)c1 ZINC000491374674 332199885 /nfs/dbraw/zinc/19/98/85/332199885.db2.gz SBIFJKILQUMTDE-HNNXBMFYSA-N 1 2 267.332 1.706 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000491568403 332239944 /nfs/dbraw/zinc/23/99/44/332239944.db2.gz QJBSPKSPUVJHKU-LLVKDONJSA-N 1 2 280.318 1.577 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000491568403 332239946 /nfs/dbraw/zinc/23/99/46/332239946.db2.gz QJBSPKSPUVJHKU-LLVKDONJSA-N 1 2 280.318 1.577 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](O)COc1cccc(C)c1 ZINC000491619006 332245349 /nfs/dbraw/zinc/24/53/49/332245349.db2.gz FFRJXCRRHYBCIV-CABCVRRESA-N 1 2 275.348 1.069 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](O)COc1cccc(C)c1 ZINC000491619006 332245351 /nfs/dbraw/zinc/24/53/51/332245351.db2.gz FFRJXCRRHYBCIV-CABCVRRESA-N 1 2 275.348 1.069 20 30 CDEDLO C#C[C@@H](C)N(C)c1nc(C)[nH+]c(N(C)[C@H](C)C#C)n1 ZINC000491621780 332246889 /nfs/dbraw/zinc/24/68/89/332246889.db2.gz DMFQVSTWNBARFJ-GHMZBOCLSA-N 1 2 257.341 1.096 20 30 CDEDLO C#CCNC(=O)CC[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000491726761 332310198 /nfs/dbraw/zinc/31/01/98/332310198.db2.gz DOADAWJSZQZYSJ-HNNXBMFYSA-N 1 2 290.338 1.339 20 30 CDEDLO C#CCNC(=O)CC[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000491726761 332310199 /nfs/dbraw/zinc/31/01/99/332310199.db2.gz DOADAWJSZQZYSJ-HNNXBMFYSA-N 1 2 290.338 1.339 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000194921701 333279445 /nfs/dbraw/zinc/27/94/45/333279445.db2.gz WCBXUKJJWVQGLS-ZDUSSCGKSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000194921701 333279446 /nfs/dbraw/zinc/27/94/46/333279446.db2.gz WCBXUKJJWVQGLS-ZDUSSCGKSA-N 1 2 284.400 1.195 20 30 CDEDLO CC[C@@]1(C)C[N@H+](CC(=O)NC2(C#N)CCCCC2)CCO1 ZINC000135615372 334134412 /nfs/dbraw/zinc/13/44/12/334134412.db2.gz XAIBEFUARJMEKQ-HNNXBMFYSA-N 1 2 293.411 1.830 20 30 CDEDLO CC[C@@]1(C)C[N@@H+](CC(=O)NC2(C#N)CCCCC2)CCO1 ZINC000135615372 334134413 /nfs/dbraw/zinc/13/44/13/334134413.db2.gz XAIBEFUARJMEKQ-HNNXBMFYSA-N 1 2 293.411 1.830 20 30 CDEDLO CC[C@]1(C)C[N@H+](CC(=O)N(CCC#N)CCC#N)CCO1 ZINC000135644517 334135226 /nfs/dbraw/zinc/13/52/26/334135226.db2.gz XKWPPZCLQQXOEU-OAHLLOKOSA-N 1 2 292.383 1.143 20 30 CDEDLO CC[C@]1(C)C[N@@H+](CC(=O)N(CCC#N)CCC#N)CCO1 ZINC000135644517 334135227 /nfs/dbraw/zinc/13/52/27/334135227.db2.gz XKWPPZCLQQXOEU-OAHLLOKOSA-N 1 2 292.383 1.143 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@@](C)(CC)C1 ZINC000135680938 334136143 /nfs/dbraw/zinc/13/61/43/334136143.db2.gz GMYCLLALJFHLEP-HNNXBMFYSA-N 1 2 268.401 1.912 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000135680938 334136142 /nfs/dbraw/zinc/13/61/42/334136142.db2.gz GMYCLLALJFHLEP-HNNXBMFYSA-N 1 2 268.401 1.912 20 30 CDEDLO N#CCC1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000548281979 334148640 /nfs/dbraw/zinc/14/86/40/334148640.db2.gz IIPMNRDTVTYHCJ-CYBMUJFWSA-N 1 2 287.367 1.533 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)c1 ZINC000249377040 334332715 /nfs/dbraw/zinc/33/27/15/334332715.db2.gz PVKVYBVHXYEYFV-CJNGLKHVSA-N 1 2 277.364 1.833 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)c1 ZINC000249377040 334332717 /nfs/dbraw/zinc/33/27/17/334332717.db2.gz PVKVYBVHXYEYFV-CJNGLKHVSA-N 1 2 277.364 1.833 20 30 CDEDLO Cc1nsc(C)c1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000581827612 336148447 /nfs/dbraw/zinc/14/84/47/336148447.db2.gz XIFCUWNXDRJSKG-GFCCVEGCSA-N 1 2 266.370 1.334 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2C)[C@H]1C ZINC001088470875 1160437505 /nfs/dbraw/zinc/43/75/05/1160437505.db2.gz HMCBAOQVEKUBFY-YPMHNXCESA-N 1 2 296.802 1.674 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2C)[C@H]1C ZINC001088470875 1160437510 /nfs/dbraw/zinc/43/75/10/1160437510.db2.gz HMCBAOQVEKUBFY-YPMHNXCESA-N 1 2 296.802 1.674 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2CCc3nn[nH]c3C2)c1 ZINC000668792297 482323747 /nfs/dbraw/zinc/32/37/47/482323747.db2.gz SJTAESZDOBOYQN-UHFFFAOYSA-N 1 2 270.336 1.928 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2CCc3nn[nH]c3C2)c1 ZINC000668792297 482323749 /nfs/dbraw/zinc/32/37/49/482323749.db2.gz SJTAESZDOBOYQN-UHFFFAOYSA-N 1 2 270.336 1.928 20 30 CDEDLO C=C[C@](C)(O)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000668528524 482469248 /nfs/dbraw/zinc/46/92/48/482469248.db2.gz RJSKZPWCASBOAR-AWEZNQCLSA-N 1 2 259.309 1.196 20 30 CDEDLO C=C[C@](C)(O)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000669111158 482474114 /nfs/dbraw/zinc/47/41/14/482474114.db2.gz GBOLDHHJVSADQC-INIZCTEOSA-N 1 2 285.347 1.700 20 30 CDEDLO C=CC1CCN(c2cc(NC[C@@H](C)O)[nH+]cn2)CC1 ZINC000665700627 482475778 /nfs/dbraw/zinc/47/57/78/482475778.db2.gz NALWDBBXMKXYEZ-LLVKDONJSA-N 1 2 262.357 1.672 20 30 CDEDLO C=CC1CCN(c2cc(NC[C@@H](C)O)nc[nH+]2)CC1 ZINC000665700627 482475779 /nfs/dbraw/zinc/47/57/79/482475779.db2.gz NALWDBBXMKXYEZ-LLVKDONJSA-N 1 2 262.357 1.672 20 30 CDEDLO C[C@H](Nc1c(C#N)cccc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000302885959 482747583 /nfs/dbraw/zinc/74/75/83/482747583.db2.gz MTVAROHPZBBDGD-STQMWFEESA-N 1 2 284.363 1.951 20 30 CDEDLO COCC#CCn1c2ccccc2[nH+]c1NCCO ZINC000678825264 483184506 /nfs/dbraw/zinc/18/45/06/483184506.db2.gz LBCZDYRHRLQVLT-UHFFFAOYSA-N 1 2 259.309 1.090 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000054614064 518270629 /nfs/dbraw/zinc/27/06/29/518270629.db2.gz ZYQLZSXZFXARPA-UHFFFAOYSA-N 1 2 254.337 1.085 20 30 CDEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCN2C(=O)N=NC2C1 ZINC000329244787 534385171 /nfs/dbraw/zinc/38/51/71/534385171.db2.gz QCPUZKLTYCKVMD-UHFFFAOYSA-N 1 2 288.311 1.057 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000277501897 522034232 /nfs/dbraw/zinc/03/42/32/522034232.db2.gz PLOCYLRTCLNJHF-MPBGBICISA-N 1 2 292.404 1.767 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000277501897 522034240 /nfs/dbraw/zinc/03/42/40/522034240.db2.gz PLOCYLRTCLNJHF-MPBGBICISA-N 1 2 292.404 1.767 20 30 CDEDLO CN1CC[N@H+](C)[C@H](CNc2cc(Cl)ccc2C#N)C1 ZINC000068806592 523891205 /nfs/dbraw/zinc/89/12/05/523891205.db2.gz LJKUHKVSSJHVHL-CYBMUJFWSA-N 1 2 278.787 1.869 20 30 CDEDLO CN1CC[N@@H+](C)[C@H](CNc2cc(Cl)ccc2C#N)C1 ZINC000068806592 523891208 /nfs/dbraw/zinc/89/12/08/523891208.db2.gz LJKUHKVSSJHVHL-CYBMUJFWSA-N 1 2 278.787 1.869 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNc1ccncc1C#N)CCC2 ZINC000363694883 525936681 /nfs/dbraw/zinc/93/66/81/525936681.db2.gz AGQULLCQRZMEAJ-LBPRGKRZSA-N 1 2 267.336 1.870 20 30 CDEDLO C=CCNC(=O)c1ccc(NCCNc2cccc[nH+]2)nc1 ZINC000352768514 526639216 /nfs/dbraw/zinc/63/92/16/526639216.db2.gz IDMSMSFYPDFWKP-UHFFFAOYSA-N 1 2 297.362 1.338 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000111581093 526725987 /nfs/dbraw/zinc/72/59/87/526725987.db2.gz BEJCMTBLFUIRCL-UHFFFAOYSA-N 1 2 284.359 1.670 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000330270699 526836121 /nfs/dbraw/zinc/83/61/21/526836121.db2.gz UQVGTAGKGSKYLV-BFHYXJOUSA-N 1 2 282.384 1.645 20 30 CDEDLO C=CC[C@H](CC)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000347623634 527155284 /nfs/dbraw/zinc/15/52/84/527155284.db2.gz MIWLXQAYDJXHSP-STQMWFEESA-N 1 2 269.389 1.361 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)C2CC(O)C2)c1C ZINC000353486831 527292489 /nfs/dbraw/zinc/29/24/89/527292489.db2.gz CDJQOVRHFCCFJF-UHFFFAOYSA-N 1 2 276.380 1.929 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)C2CC(O)C2)c1C ZINC000353486831 527292496 /nfs/dbraw/zinc/29/24/96/527292496.db2.gz CDJQOVRHFCCFJF-UHFFFAOYSA-N 1 2 276.380 1.929 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@@H](C)c3ccccc32)CC1 ZINC000748812422 574526001 /nfs/dbraw/zinc/52/60/01/574526001.db2.gz DBNADBFYXPQRFY-OAHLLOKOSA-N 1 2 297.402 1.388 20 30 CDEDLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)NCCC#N)s1 ZINC000730265412 574906563 /nfs/dbraw/zinc/90/65/63/574906563.db2.gz UDYXNYJTBITPNO-SNVBAGLBSA-N 1 2 280.397 1.783 20 30 CDEDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)NCCC#N)s1 ZINC000730265412 574906564 /nfs/dbraw/zinc/90/65/64/574906564.db2.gz UDYXNYJTBITPNO-SNVBAGLBSA-N 1 2 280.397 1.783 20 30 CDEDLO CCOC(=O)C[N@H+](CC)Cc1ccc(OCC#N)cc1 ZINC000731212116 575038550 /nfs/dbraw/zinc/03/85/50/575038550.db2.gz UFALXUAVFFDWFU-UHFFFAOYSA-N 1 2 276.336 1.974 20 30 CDEDLO CCOC(=O)C[N@@H+](CC)Cc1ccc(OCC#N)cc1 ZINC000731212116 575038552 /nfs/dbraw/zinc/03/85/52/575038552.db2.gz UFALXUAVFFDWFU-UHFFFAOYSA-N 1 2 276.336 1.974 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)C2CCCC2)CC1 ZINC000772113412 575661609 /nfs/dbraw/zinc/66/16/09/575661609.db2.gz OBYDZWFCODZCAO-UHFFFAOYSA-N 1 2 277.364 1.634 20 30 CDEDLO C[N@@H+](Cc1cccc(C(N)=O)c1)C[C@H](C#N)CCC#N ZINC000732921907 575098949 /nfs/dbraw/zinc/09/89/49/575098949.db2.gz JUXKFYMBGIQBGW-ZDUSSCGKSA-N 1 2 270.336 1.661 20 30 CDEDLO C[N@H+](Cc1cccc(C(N)=O)c1)C[C@H](C#N)CCC#N ZINC000732921907 575098950 /nfs/dbraw/zinc/09/89/50/575098950.db2.gz JUXKFYMBGIQBGW-ZDUSSCGKSA-N 1 2 270.336 1.661 20 30 CDEDLO CO[C@@H]1CCC[C@@H]1C/[NH+]=C\c1c(CO)cnc(C)c1O ZINC000774540243 575213000 /nfs/dbraw/zinc/21/30/00/575213000.db2.gz CKYONIJVXMMMMU-IWXNAEDQSA-N 1 2 278.352 1.822 20 30 CDEDLO CC(=NOCC(N)=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000771572631 575592084 /nfs/dbraw/zinc/59/20/84/575592084.db2.gz WOFIBBNEZITVKQ-UHFFFAOYSA-N 1 2 258.281 1.098 20 30 CDEDLO N#CCc1ccc(C(=O)OCCn2cc[nH+]c2)cc1 ZINC000772035772 575652673 /nfs/dbraw/zinc/65/26/73/575652673.db2.gz RGAJKTRFKOYJHR-UHFFFAOYSA-N 1 2 255.277 1.806 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)nc1 ZINC000768143445 576260900 /nfs/dbraw/zinc/26/09/00/576260900.db2.gz XZECHHJQLTUUDL-AWEZNQCLSA-N 1 2 294.358 1.816 20 30 CDEDLO N#CCOc1cccc(CC(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000760532738 576491651 /nfs/dbraw/zinc/49/16/51/576491651.db2.gz IFIQVDWEMZIKIO-UHFFFAOYSA-N 1 2 284.319 1.213 20 30 CDEDLO COc1cccc(O)c1/C=[NH+]\CCc1ccn(C)n1 ZINC000761016680 576535283 /nfs/dbraw/zinc/53/52/83/576535283.db2.gz YFMWVLRLZDEJCS-GDNBJRDFSA-N 1 2 259.309 1.796 20 30 CDEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)[C@H]1CCCO1 ZINC000761858332 576598508 /nfs/dbraw/zinc/59/85/08/576598508.db2.gz UUJNNVAQELHVFI-LLVKDONJSA-N 1 2 272.312 1.629 20 30 CDEDLO O=C(C#Cc1ccc2c(c1)OCO2)N1CC(n2cc[nH+]c2)C1 ZINC000762218562 576630746 /nfs/dbraw/zinc/63/07/46/576630746.db2.gz PYLRQDMEXPYNGS-UHFFFAOYSA-N 1 2 295.298 1.047 20 30 CDEDLO CC[N@H+](C)[C@@H](C(=O)OCC#CCOC)c1ccccc1 ZINC000762830963 576678922 /nfs/dbraw/zinc/67/89/22/576678922.db2.gz BDEKBYQMXISJRO-OAHLLOKOSA-N 1 2 275.348 1.872 20 30 CDEDLO CC[N@@H+](C)[C@@H](C(=O)OCC#CCOC)c1ccccc1 ZINC000762830963 576678923 /nfs/dbraw/zinc/67/89/23/576678923.db2.gz BDEKBYQMXISJRO-OAHLLOKOSA-N 1 2 275.348 1.872 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nc2cc(C)ccc2[nH]1 ZINC000744740883 576694764 /nfs/dbraw/zinc/69/47/64/576694764.db2.gz LVVOKYMWQSQCAY-HNNXBMFYSA-N 1 2 296.374 1.585 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nc2cc(C)ccc2[nH]1 ZINC000744740883 576694766 /nfs/dbraw/zinc/69/47/66/576694766.db2.gz LVVOKYMWQSQCAY-HNNXBMFYSA-N 1 2 296.374 1.585 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000744740883 576694768 /nfs/dbraw/zinc/69/47/68/576694768.db2.gz LVVOKYMWQSQCAY-HNNXBMFYSA-N 1 2 296.374 1.585 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000744740883 576694771 /nfs/dbraw/zinc/69/47/71/576694771.db2.gz LVVOKYMWQSQCAY-HNNXBMFYSA-N 1 2 296.374 1.585 20 30 CDEDLO COc1nccnc1N=NCc1c[nH+]c2ccccn12 ZINC000763413636 576735297 /nfs/dbraw/zinc/73/52/97/576735297.db2.gz XMSXIHXVTGNVIF-UHFFFAOYSA-N 1 2 268.280 1.579 20 30 CDEDLO O=C1C[N@H+](CC#Cc2cccc(Cl)c2)CCCN1 ZINC000746488132 576779247 /nfs/dbraw/zinc/77/92/47/576779247.db2.gz YCYGCOBEVPHOHT-UHFFFAOYSA-N 1 2 262.740 1.513 20 30 CDEDLO O=C1C[N@@H+](CC#Cc2cccc(Cl)c2)CCCN1 ZINC000746488132 576779248 /nfs/dbraw/zinc/77/92/48/576779248.db2.gz YCYGCOBEVPHOHT-UHFFFAOYSA-N 1 2 262.740 1.513 20 30 CDEDLO Cc1noc([C@@H](C)O[NH+]=C(N)c2ccc3c(c2)CCO3)n1 ZINC000753829208 576861257 /nfs/dbraw/zinc/86/12/57/576861257.db2.gz HMPNQOXLHWRJHC-MRVPVSSYSA-N 1 2 288.307 1.711 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]NCc1ccccc1 ZINC000747629619 576877256 /nfs/dbraw/zinc/87/72/56/576877256.db2.gz HBZOUDTUHKOXDO-UHFFFAOYSA-N 1 2 257.297 1.191 20 30 CDEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(C#N)c[nH]1 ZINC000748529702 576916045 /nfs/dbraw/zinc/91/60/45/576916045.db2.gz PYDDRVJYJDVUKT-ZDUSSCGKSA-N 1 2 285.351 1.928 20 30 CDEDLO COCCN(CCC#N)C(=O)c1cccc2[nH+]ccn21 ZINC000749304917 576943005 /nfs/dbraw/zinc/94/30/05/576943005.db2.gz MOZVPUIMSJCXDZ-UHFFFAOYSA-N 1 2 272.308 1.337 20 30 CDEDLO Cc1[nH+]cc(C=Nn2cnnc2)n1-c1ccccc1 ZINC000755464515 576946100 /nfs/dbraw/zinc/94/61/00/576946100.db2.gz WCXFGGFSGUZIJC-UHFFFAOYSA-N 1 2 252.281 1.654 20 30 CDEDLO C=CCNC(=S)NN=Cc1c[nH+]c2c(C)cccn12 ZINC000755498026 576947041 /nfs/dbraw/zinc/94/70/41/576947041.db2.gz URYAAJPCMSPOKU-UHFFFAOYSA-N 1 2 273.365 1.627 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CSCCS1 ZINC000755501678 576947103 /nfs/dbraw/zinc/94/71/03/576947103.db2.gz VABBZQPAEDVYRZ-NEPJUHHUSA-N 1 2 284.450 1.049 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CSCCS1 ZINC000755501678 576947104 /nfs/dbraw/zinc/94/71/04/576947104.db2.gz VABBZQPAEDVYRZ-NEPJUHHUSA-N 1 2 284.450 1.049 20 30 CDEDLO CCOc1ccc(O)c(/C=N/CC[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000750949065 577018671 /nfs/dbraw/zinc/01/86/71/577018671.db2.gz BXAZIMLCSFJGEB-HNEYUBDGSA-N 1 2 292.379 1.931 20 30 CDEDLO CCOc1ccc(O)c(/C=N/CC[N@H+]2CCO[C@@H](C)C2)c1 ZINC000750949065 577018673 /nfs/dbraw/zinc/01/86/73/577018673.db2.gz BXAZIMLCSFJGEB-HNEYUBDGSA-N 1 2 292.379 1.931 20 30 CDEDLO C#CCNC(=S)NCc1cn2ccc(C)cc2[nH+]1 ZINC000758211480 577082688 /nfs/dbraw/zinc/08/26/88/577082688.db2.gz YZZRDHHUPILOQA-UHFFFAOYSA-N 1 2 258.350 1.240 20 30 CDEDLO C#C[C@H]1CCCCN1C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000890655855 617253069 /nfs/dbraw/zinc/25/30/69/617253069.db2.gz RBGNLGQTKHKBEQ-ZQHYZAEZSA-N 1 2 276.380 1.279 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2[nH]c(C)nc2C)C1 ZINC000951776665 612991412 /nfs/dbraw/zinc/99/14/12/612991412.db2.gz MMAHRRWUHLRHPW-UHFFFAOYSA-N 1 2 274.368 1.196 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(C)nc2C)C1 ZINC000957418333 612992219 /nfs/dbraw/zinc/99/22/19/612992219.db2.gz CWVJAVNAKDCMMI-UHFFFAOYSA-N 1 2 285.391 1.868 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ncc(F)cc2F)C1 ZINC000950635632 612993339 /nfs/dbraw/zinc/99/33/39/612993339.db2.gz RQRJAUARSPGUEP-UHFFFAOYSA-N 1 2 293.317 1.529 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2cc(CCC)on2)CC1 ZINC000983465839 613157135 /nfs/dbraw/zinc/15/71/35/613157135.db2.gz FAFYFBNUSQLQNS-UHFFFAOYSA-N 1 2 275.352 1.408 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc(CCC)on2)CC1 ZINC000983465839 613157138 /nfs/dbraw/zinc/15/71/38/613157138.db2.gz FAFYFBNUSQLQNS-UHFFFAOYSA-N 1 2 275.352 1.408 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CC3CCC3)CC2)C1 ZINC000949328774 613210537 /nfs/dbraw/zinc/21/05/37/613210537.db2.gz DTBXHXLUZREYOI-UHFFFAOYSA-N 1 2 290.407 1.503 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CC3CCC3)CC2)C1 ZINC000949328774 613210538 /nfs/dbraw/zinc/21/05/38/613210538.db2.gz DTBXHXLUZREYOI-UHFFFAOYSA-N 1 2 290.407 1.503 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)CC)C2)C1 ZINC000972524680 613211880 /nfs/dbraw/zinc/21/18/80/613211880.db2.gz VNCCMUMHDCIOSQ-MRXNPFEDSA-N 1 2 278.396 1.359 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)CC)C2)C1 ZINC000972524680 613211882 /nfs/dbraw/zinc/21/18/82/613211882.db2.gz VNCCMUMHDCIOSQ-MRXNPFEDSA-N 1 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/nfs/dbraw/zinc/32/12/97/613321297.db2.gz MBNAHWZOMWAKBG-UHFFFAOYSA-N 1 2 276.384 1.627 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2cncn2C)C1 ZINC000972731308 613370061 /nfs/dbraw/zinc/37/00/61/613370061.db2.gz DUBQQSPFGJYPNM-LBPRGKRZSA-N 1 2 296.802 1.248 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)Cc2cncn2C)C1 ZINC000972731308 613370062 /nfs/dbraw/zinc/37/00/62/613370062.db2.gz DUBQQSPFGJYPNM-LBPRGKRZSA-N 1 2 296.802 1.248 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CC23CC3)C1 ZINC000970487311 613372099 /nfs/dbraw/zinc/37/20/99/613372099.db2.gz AZOHOGUWVXLJPT-CMPLNLGQSA-N 1 2 268.788 1.976 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnnn2C)C1 ZINC000965979218 613375543 /nfs/dbraw/zinc/37/55/43/613375543.db2.gz CKWNYHPHLNYVDJ-KOLCDFICSA-N 1 2 297.790 1.008 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnnn2C)C1 ZINC000965979218 613375544 /nfs/dbraw/zinc/37/55/44/613375544.db2.gz CKWNYHPHLNYVDJ-KOLCDFICSA-N 1 2 297.790 1.008 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cn(C)nn2)C(C)(C)C1 ZINC000974550331 613379789 /nfs/dbraw/zinc/37/97/89/613379789.db2.gz AVDGSPLTHQMDKU-LLVKDONJSA-N 1 2 297.790 1.008 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)nn2)C(C)(C)C1 ZINC000974550331 613379790 /nfs/dbraw/zinc/37/97/90/613379790.db2.gz AVDGSPLTHQMDKU-LLVKDONJSA-N 1 2 297.790 1.008 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cc(C)n[nH]1 ZINC000958556238 613382237 /nfs/dbraw/zinc/38/22/37/613382237.db2.gz QTSBJBJZIHAFRI-IMRBUKKESA-N 1 2 294.786 1.060 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cc(C)n[nH]1 ZINC000958556238 613382238 /nfs/dbraw/zinc/38/22/38/613382238.db2.gz QTSBJBJZIHAFRI-IMRBUKKESA-N 1 2 294.786 1.060 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H](C)c2cccnc2)CC1 ZINC000951172908 613562690 /nfs/dbraw/zinc/56/26/90/613562690.db2.gz MUVJXSVBQFSKJK-OAHLLOKOSA-N 1 2 285.391 1.743 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)C2=COCCC2)C1 ZINC000949769941 613653160 /nfs/dbraw/zinc/65/31/60/613653160.db2.gz MJWKXGJZUVZHOM-UHFFFAOYSA-N 1 2 250.342 1.399 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CO[C@@H](C)C2)C1 ZINC000950673204 613654326 /nfs/dbraw/zinc/65/43/26/613654326.db2.gz SWQHUSWFYWZOMY-RYUDHWBXSA-N 1 2 252.358 1.130 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2c(OC)cc[nH]c2=O)C1 ZINC000957280579 613656385 /nfs/dbraw/zinc/65/63/85/613656385.db2.gz KTELGXFIZQOQHA-UHFFFAOYSA-N 1 2 291.351 1.128 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2c[nH]c3cccnc23)C1 ZINC000957278800 613656421 /nfs/dbraw/zinc/65/64/21/613656421.db2.gz PCLXHEDIESIVNF-UHFFFAOYSA-N 1 2 284.363 1.895 20 30 CDEDLO C#C[C@H]1CCCCN1C(=O)NCCCn1cc[nH+]c1 ZINC000891429096 617390684 /nfs/dbraw/zinc/39/06/84/617390684.db2.gz KFWVMKZIQJEOMU-ZDUSSCGKSA-N 1 2 260.341 1.471 20 30 CDEDLO C=CC[NH+]1CC([C@H](C)NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC000970042691 613673595 /nfs/dbraw/zinc/67/35/95/613673595.db2.gz VDVXKDCCEBMAOZ-NSHDSACASA-N 1 2 288.395 1.525 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cn2nc(C)c3cccnc32)CC1 ZINC000949414519 613709975 /nfs/dbraw/zinc/70/99/75/613709975.db2.gz ZIHQLBRORSIWHU-UHFFFAOYSA-N 1 2 299.378 1.070 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccsc2C)CC1 ZINC000951210763 613710013 /nfs/dbraw/zinc/71/00/13/613710013.db2.gz PCBHKGFPXAHTAO-UHFFFAOYSA-N 1 2 264.394 1.929 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](F)Cc2ccccc2)CC1 ZINC000957747398 613710467 /nfs/dbraw/zinc/71/04/67/613710467.db2.gz RTDQBNUCPFJESL-HNNXBMFYSA-N 1 2 276.355 1.897 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)[C@@H]2CCCO2)CC1 ZINC000950360661 613712473 /nfs/dbraw/zinc/71/24/73/613712473.db2.gz QEIJCSCGKYMAQN-OLZOCXBDSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C3CC3)cn2)CC1 ZINC000957511634 613715466 /nfs/dbraw/zinc/71/54/66/613715466.db2.gz HHSDUPNUBULROQ-UHFFFAOYSA-N 1 2 271.364 1.903 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc(C)nc2C)CC1 ZINC000951793633 613718337 /nfs/dbraw/zinc/71/83/37/613718337.db2.gz ZGESVHAJZNZRBL-UHFFFAOYSA-N 1 2 260.341 1.037 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2nn(C)c3ccccc32)CC1 ZINC000957383993 613718995 /nfs/dbraw/zinc/71/89/95/613718995.db2.gz AVEXLMJYEUZBPH-UHFFFAOYSA-N 1 2 284.363 1.517 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(C)CC=CC3)C2)C1 ZINC000972531259 613722699 /nfs/dbraw/zinc/72/26/99/613722699.db2.gz JPIJDDHPWSKVQP-KRWDZBQOSA-N 1 2 290.407 1.832 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(C)CC=CC3)C2)C1 ZINC000972531259 613722704 /nfs/dbraw/zinc/72/27/04/613722704.db2.gz JPIJDDHPWSKVQP-KRWDZBQOSA-N 1 2 290.407 1.832 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CC(C)(C)C3)C2)C1 ZINC000972366957 613723023 /nfs/dbraw/zinc/72/30/23/613723023.db2.gz DWTSKGYPSOPZHD-KRWDZBQOSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CC(C)(C)C3)C2)C1 ZINC000972366957 613723024 /nfs/dbraw/zinc/72/30/24/613723024.db2.gz DWTSKGYPSOPZHD-KRWDZBQOSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCCO3)C2)C1 ZINC000972270219 613723679 /nfs/dbraw/zinc/72/36/79/613723679.db2.gz 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/nfs/dbraw/zinc/55/51/61/617555161.db2.gz YTWYTOUGOXCODP-NSHDSACASA-N 1 2 280.397 1.438 20 30 CDEDLO C#CCSCCNc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000892641681 617555165 /nfs/dbraw/zinc/55/51/65/617555165.db2.gz YTWYTOUGOXCODP-NSHDSACASA-N 1 2 280.397 1.438 20 30 CDEDLO Cc1cc(C#N)nc(N[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000891837165 617635156 /nfs/dbraw/zinc/63/51/56/617635156.db2.gz BNFMWDHBBMXNLR-LBPRGKRZSA-N 1 2 260.341 1.394 20 30 CDEDLO CC[C@H](CO)Nc1cc(N2CCC(CC#N)CC2)nc[nH+]1 ZINC000893120021 618200141 /nfs/dbraw/zinc/20/01/41/618200141.db2.gz YCUPUMHGYSAPST-CYBMUJFWSA-N 1 2 289.383 1.789 20 30 CDEDLO CC[C@H](CO)Nc1cc(N2CCC(CC#N)CC2)[nH+]cn1 ZINC000893120021 618200149 /nfs/dbraw/zinc/20/01/49/618200149.db2.gz YCUPUMHGYSAPST-CYBMUJFWSA-N 1 2 289.383 1.789 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)C[C@@H]1[C@@H](C(=O)OC)C1(F)F ZINC000893994892 618236526 /nfs/dbraw/zinc/23/65/26/618236526.db2.gz LWQZLJNUYQEVCC-BBBLOLIVSA-N 1 2 260.284 1.522 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)C[C@@H]1[C@@H](C(=O)OC)C1(F)F ZINC000893994892 618236527 /nfs/dbraw/zinc/23/65/27/618236527.db2.gz LWQZLJNUYQEVCC-BBBLOLIVSA-N 1 2 260.284 1.522 20 30 CDEDLO C#CCNC(=O)C[N@@H+](CC)Cc1ccc(Cl)s1 ZINC000016341583 618295184 /nfs/dbraw/zinc/29/51/84/618295184.db2.gz SFDSWVMMFTYWPO-UHFFFAOYSA-N 1 2 270.785 1.973 20 30 CDEDLO C#CCNC(=O)C[N@H+](CC)Cc1ccc(Cl)s1 ZINC000016341583 618295197 /nfs/dbraw/zinc/29/51/97/618295197.db2.gz SFDSWVMMFTYWPO-UHFFFAOYSA-N 1 2 270.785 1.973 20 30 CDEDLO C=CCC[C@H](CO)Nc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000894112446 618446064 /nfs/dbraw/zinc/44/60/64/618446064.db2.gz GQTBHCBNQYAZEY-VXGBXAGGSA-N 1 2 280.372 1.398 20 30 CDEDLO C=CCC[C@H](CO)Nc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000894112446 618446082 /nfs/dbraw/zinc/44/60/82/618446082.db2.gz GQTBHCBNQYAZEY-VXGBXAGGSA-N 1 2 280.372 1.398 20 30 CDEDLO C=C1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000894307642 618567150 /nfs/dbraw/zinc/56/71/50/618567150.db2.gz DXHUEFZLUARLKJ-GFCCVEGCSA-N 1 2 260.341 1.560 20 30 CDEDLO C=CCOC[C@H]([NH2+]C1C[C@@H]2CCC[C@H]2C1)C(=O)OC ZINC000894191683 618684873 /nfs/dbraw/zinc/68/48/73/618684873.db2.gz CJCXEHIFVNETRF-OBJOEFQTSA-N 1 2 267.369 1.899 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cn3ccnc3s2)C1=O ZINC000894231460 618740149 /nfs/dbraw/zinc/74/01/49/618740149.db2.gz QBXQTAZTOXLVAR-LBPRGKRZSA-N 1 2 290.392 1.615 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cn3ccnc3s2)C1=O ZINC000894231460 618740151 /nfs/dbraw/zinc/74/01/51/618740151.db2.gz QBXQTAZTOXLVAR-LBPRGKRZSA-N 1 2 290.392 1.615 20 30 CDEDLO C#Cc1cnc(N2CCC(Nc3cccc[nH+]3)CC2)nc1 ZINC000895349126 619593433 /nfs/dbraw/zinc/59/34/33/619593433.db2.gz IUZBLBAKVWFPHU-UHFFFAOYSA-N 1 2 279.347 1.934 20 30 CDEDLO CCn1c[nH+]c2c1CCN(c1cccc(C#N)n1)C2 ZINC000896659828 620180593 /nfs/dbraw/zinc/18/05/93/620180593.db2.gz HFGZQKLISFAYFA-UHFFFAOYSA-N 1 2 253.309 1.732 20 30 CDEDLO Cc1[nH]c(CNC(=O)COc2ccc(C#N)cc2)[nH+]c1C ZINC000896930022 620314978 /nfs/dbraw/zinc/31/49/78/620314978.db2.gz RLVXFMRJRVVSMM-UHFFFAOYSA-N 1 2 284.319 1.593 20 30 CDEDLO N#C[C@@]1(F)CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000786670005 621019843 /nfs/dbraw/zinc/01/98/43/621019843.db2.gz QMHPOZNJKROUCF-ZDUSSCGKSA-N 1 2 258.256 1.412 20 30 CDEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCC2(C#N)CC2)[nH]n1 ZINC000897635937 621043697 /nfs/dbraw/zinc/04/36/97/621043697.db2.gz LBSRGJPDXPGONH-LBPRGKRZSA-N 1 2 273.340 1.210 20 30 CDEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCC2(C#N)CC2)[nH]n1 ZINC000897635937 621043702 /nfs/dbraw/zinc/04/37/02/621043702.db2.gz LBSRGJPDXPGONH-LBPRGKRZSA-N 1 2 273.340 1.210 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1 ZINC000898668251 621835893 /nfs/dbraw/zinc/83/58/93/621835893.db2.gz GCXDZIQWOJDLCB-UONOGXRCSA-N 1 2 286.375 1.507 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1 ZINC000898668251 621835895 /nfs/dbraw/zinc/83/58/95/621835895.db2.gz GCXDZIQWOJDLCB-UONOGXRCSA-N 1 2 286.375 1.507 20 30 CDEDLO Cc1ccc(C(=O)/C=C\C(=O)N2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000900846150 623561717 /nfs/dbraw/zinc/56/17/17/623561717.db2.gz FVUZMJFVDXDXDL-QIAWRQBBSA-N 1 2 286.375 1.896 20 30 CDEDLO Cc1ccc(C(=O)/C=C\C(=O)N2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000900846150 623561723 /nfs/dbraw/zinc/56/17/23/623561723.db2.gz FVUZMJFVDXDXDL-QIAWRQBBSA-N 1 2 286.375 1.896 20 30 CDEDLO COc1cn(C[N@@H+]2CCC[C@](C)(C#N)C2)c(C)cc1=O ZINC000902217287 624568035 /nfs/dbraw/zinc/56/80/35/624568035.db2.gz JKCJORSJDBSJDE-OAHLLOKOSA-N 1 2 275.352 1.749 20 30 CDEDLO COc1cn(C[N@H+]2CCC[C@](C)(C#N)C2)c(C)cc1=O ZINC000902217287 624568044 /nfs/dbraw/zinc/56/80/44/624568044.db2.gz JKCJORSJDBSJDE-OAHLLOKOSA-N 1 2 275.352 1.749 20 30 CDEDLO C=C[C@](C)(O)Cc1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904266114 626234517 /nfs/dbraw/zinc/23/45/17/626234517.db2.gz ZODDQBLNOGLIAZ-ZDUSSCGKSA-N 1 2 260.297 1.502 20 30 CDEDLO C#CC[N@H+](CN1C(=O)C(C)(C)[C@H]1c1cnn(C)c1)C(C)C ZINC000905750745 626945595 /nfs/dbraw/zinc/94/55/95/626945595.db2.gz YHXYXIFZFWJNAD-CQSZACIVSA-N 1 2 288.395 1.631 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)C(C)(C)[C@H]1c1cnn(C)c1)C(C)C ZINC000905750745 626945598 /nfs/dbraw/zinc/94/55/98/626945598.db2.gz YHXYXIFZFWJNAD-CQSZACIVSA-N 1 2 288.395 1.631 20 30 CDEDLO C=CCCN(C)C(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000907640643 627756580 /nfs/dbraw/zinc/75/65/80/627756580.db2.gz UEFBQISUEYYVEA-UHFFFAOYSA-N 1 2 291.395 1.468 20 30 CDEDLO COc1cc(C#N)ccc1C(=O)OCCc1c[nH+]cn1C ZINC000910247054 628929891 /nfs/dbraw/zinc/92/98/91/628929891.db2.gz IAHONIGUQJWTCI-UHFFFAOYSA-N 1 2 285.303 1.700 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)NCCC#C[Si](C)(C)C ZINC000912328736 629910942 /nfs/dbraw/zinc/91/09/42/629910942.db2.gz OOAURHUSKDNSGU-UHFFFAOYSA-N 1 2 263.417 1.648 20 30 CDEDLO CCOc1ccc(/C=[NH+]/CCCNC(C)=O)c(O)c1 ZINC000912962692 630308735 /nfs/dbraw/zinc/30/87/35/630308735.db2.gz ZAJADWHLMQFMHY-XNTDXEJSSA-N 1 2 264.325 1.736 20 30 CDEDLO C#CC[NH+]1CCN(Cn2nc(C)n(C3CC3)c2=S)CC1 ZINC000044756651 630559571 /nfs/dbraw/zinc/55/95/71/630559571.db2.gz IUFKAPVTGPSGAZ-UHFFFAOYSA-N 1 2 291.424 1.266 20 30 CDEDLO C#CCN(C(=O)NCCCNc1cccc[nH+]1)C(C)C ZINC000914153689 631070666 /nfs/dbraw/zinc/07/06/66/631070666.db2.gz IFRIQSZSBVTQIB-UHFFFAOYSA-N 1 2 274.368 1.937 20 30 CDEDLO C(=[NH+]OC[C@@H]1CCOC1)c1cnc(N2CCOCC2)s1 ZINC000788030041 631580038 /nfs/dbraw/zinc/58/00/38/631580038.db2.gz JJPQZCFKWAVTNC-LLVKDONJSA-N 1 2 297.380 1.367 20 30 CDEDLO C=C(Br)C[NH+]1CCC(OC(C)=O)CC1 ZINC000153474597 631649261 /nfs/dbraw/zinc/64/92/61/631649261.db2.gz GUZKCYSJCXAXSW-UHFFFAOYSA-N 1 2 262.147 1.923 20 30 CDEDLO C=CC[N@H+](CN1C(=O)N[C@@](C)(C(C)C)C1=O)C(C)C ZINC000917481472 632220863 /nfs/dbraw/zinc/22/08/63/632220863.db2.gz LEPCWJMMTBQPHA-AWEZNQCLSA-N 1 2 267.373 1.807 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)N[C@@](C)(C(C)C)C1=O)C(C)C ZINC000917481472 632220867 /nfs/dbraw/zinc/22/08/67/632220867.db2.gz LEPCWJMMTBQPHA-AWEZNQCLSA-N 1 2 267.373 1.807 20 30 CDEDLO C[NH+]1CCN(N=Cc2ccc(O)c(Cl)c2)CC1 ZINC000921253193 632905317 /nfs/dbraw/zinc/90/53/17/632905317.db2.gz KAJRWIXLMWMHAH-UHFFFAOYSA-N 1 2 253.733 1.627 20 30 CDEDLO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccns1 ZINC001024466414 694870075 /nfs/dbraw/zinc/87/00/75/694870075.db2.gz DNMSAFWTLVMGSM-NSHDSACASA-N 1 2 263.366 1.361 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccns1 ZINC001024466414 694870077 /nfs/dbraw/zinc/87/00/77/694870077.db2.gz DNMSAFWTLVMGSM-NSHDSACASA-N 1 2 263.366 1.361 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC001010319489 694879847 /nfs/dbraw/zinc/87/98/47/694879847.db2.gz JDSQUBPXVOYMKB-JTQLQIEISA-N 1 2 268.748 1.275 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(O)cc1CC ZINC000791151646 693892904 /nfs/dbraw/zinc/89/29/04/693892904.db2.gz HWYJMLMHXIOTBV-HNNXBMFYSA-N 1 2 272.348 1.991 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(O)cc1CC ZINC000791151646 693892905 /nfs/dbraw/zinc/89/29/05/693892905.db2.gz HWYJMLMHXIOTBV-HNNXBMFYSA-N 1 2 272.348 1.991 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2scnc2Cl)C1 ZINC001031396262 693901930 /nfs/dbraw/zinc/90/19/30/693901930.db2.gz GAGIHMKQXGXAII-UHFFFAOYSA-N 1 2 271.773 1.787 20 30 CDEDLO C=CCN1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001015626306 693920626 /nfs/dbraw/zinc/92/06/26/693920626.db2.gz UPNNRWAFJDBXMP-CYBMUJFWSA-N 1 2 277.368 1.331 20 30 CDEDLO N#CCN[C@@H]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000981170862 693955764 /nfs/dbraw/zinc/95/57/64/693955764.db2.gz RCSDYAXVSUCNQR-OLZOCXBDSA-N 1 2 297.362 1.717 20 30 CDEDLO COC(=O)[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)C(C)C ZINC000886127113 695148960 /nfs/dbraw/zinc/14/89/60/695148960.db2.gz BOAJTHZHSMMQGF-NEPJUHHUSA-N 1 2 268.357 1.218 20 30 CDEDLO CC(C)[C@@H](C#N)N1CC[NH+](C[C@@H](O)c2ccccn2)CC1 ZINC000851870165 694026658 /nfs/dbraw/zinc/02/66/58/694026658.db2.gz BVAFVYVXNBKNLS-HZPDHXFCSA-N 1 2 288.395 1.281 20 30 CDEDLO Cc1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)s1 ZINC000971222178 694026948 /nfs/dbraw/zinc/02/69/48/694026948.db2.gz UFZNDCVYKZXFRU-JQWIXIFHSA-N 1 2 292.408 1.644 20 30 CDEDLO Cc1cnc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)s1 ZINC000971222178 694026952 /nfs/dbraw/zinc/02/69/52/694026952.db2.gz UFZNDCVYKZXFRU-JQWIXIFHSA-N 1 2 292.408 1.644 20 30 CDEDLO C#CCOCCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000819926390 694051166 /nfs/dbraw/zinc/05/11/66/694051166.db2.gz AMEVSHCKXQVUEU-HNNXBMFYSA-N 1 2 297.358 1.698 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2[nH]ccc2n1 ZINC001017731845 694060167 /nfs/dbraw/zinc/06/01/67/694060167.db2.gz KFWNDKPEDXOESQ-BETUJISGSA-N 1 2 294.358 1.485 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2[nH]ccc2n1 ZINC001017731845 694060174 /nfs/dbraw/zinc/06/01/74/694060174.db2.gz KFWNDKPEDXOESQ-BETUJISGSA-N 1 2 294.358 1.485 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(-n2cccc2)c1 ZINC001038487866 694064920 /nfs/dbraw/zinc/06/49/20/694064920.db2.gz LKZSPXOALHUZHV-QGZVFWFLSA-N 1 2 293.370 1.915 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(-n2cccc2)c1 ZINC001038487866 694064926 /nfs/dbraw/zinc/06/49/26/694064926.db2.gz LKZSPXOALHUZHV-QGZVFWFLSA-N 1 2 293.370 1.915 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3nsnc32)C1 ZINC001031186645 694075928 /nfs/dbraw/zinc/07/59/28/694075928.db2.gz YTRPLKGNMVUZNA-UHFFFAOYSA-N 1 2 286.360 1.129 20 30 CDEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)C2CC2)C1 ZINC000970924647 694126410 /nfs/dbraw/zinc/12/64/10/694126410.db2.gz QGGRBMDFTWAEEZ-LLVKDONJSA-N 1 2 287.201 1.838 20 30 CDEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)C2CC2)C1 ZINC000970924647 694126436 /nfs/dbraw/zinc/12/64/36/694126436.db2.gz QGGRBMDFTWAEEZ-LLVKDONJSA-N 1 2 287.201 1.838 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@H](OC)C2)C1 ZINC001043692564 688230500 /nfs/dbraw/zinc/23/05/00/688230500.db2.gz OENQRGOOLIFROZ-HIFRSBDPSA-N 1 2 280.412 1.910 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC(F)(F)F ZINC001017390429 688247188 /nfs/dbraw/zinc/24/71/88/688247188.db2.gz MLVUSIHVEJRCQR-AOOOYVTPSA-N 1 2 260.259 1.247 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC(F)(F)F ZINC001017390429 688247194 /nfs/dbraw/zinc/24/71/94/688247194.db2.gz MLVUSIHVEJRCQR-AOOOYVTPSA-N 1 2 260.259 1.247 20 30 CDEDLO CN(C)c1ncc(C=[NH+]NC(=S)NCC2CCC2)n1C ZINC000811641069 688277409 /nfs/dbraw/zinc/27/74/09/688277409.db2.gz MJJPAZCZGMPPPZ-UHFFFAOYSA-N 1 2 294.428 1.084 20 30 CDEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3OCC[N@@H+](CC)[C@@H]3C2)C1 ZINC001074334049 688305512 /nfs/dbraw/zinc/30/55/12/688305512.db2.gz LTGKWWOFCDOGMB-KGLIPLIRSA-N 1 2 278.396 1.664 20 30 CDEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3OCC[N@H+](CC)[C@@H]3C2)C1 ZINC001074334049 688305520 /nfs/dbraw/zinc/30/55/20/688305520.db2.gz LTGKWWOFCDOGMB-KGLIPLIRSA-N 1 2 278.396 1.664 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1onc(C)c1C ZINC001017644422 688310430 /nfs/dbraw/zinc/31/04/30/688310430.db2.gz DUGYOAKEHJNBQY-BETUJISGSA-N 1 2 275.352 1.766 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1onc(C)c1C ZINC001017644422 688310437 /nfs/dbraw/zinc/31/04/37/688310437.db2.gz DUGYOAKEHJNBQY-BETUJISGSA-N 1 2 275.352 1.766 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nccs1 ZINC000960498243 688319364 /nfs/dbraw/zinc/31/93/64/688319364.db2.gz CNGSKPYMPQMYPF-NWDGAFQWSA-N 1 2 292.408 1.726 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nccs1 ZINC000960498243 688319368 /nfs/dbraw/zinc/31/93/68/688319368.db2.gz CNGSKPYMPQMYPF-NWDGAFQWSA-N 1 2 292.408 1.726 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cccc(C)c2F)C1 ZINC001035374242 688324525 /nfs/dbraw/zinc/32/45/25/688324525.db2.gz CNHQZOLCAPAPBT-CYBMUJFWSA-N 1 2 292.354 1.751 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cccc(C)c2F)C1 ZINC001035374242 688324532 /nfs/dbraw/zinc/32/45/32/688324532.db2.gz CNHQZOLCAPAPBT-CYBMUJFWSA-N 1 2 292.354 1.751 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c2c[nH]nc2ccc1C ZINC001038425452 688331006 /nfs/dbraw/zinc/33/10/06/688331006.db2.gz MBNNZMXPFLNXQQ-GFCCVEGCSA-N 1 2 282.347 1.309 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c2c[nH]nc2ccc1C ZINC001038425452 688331010 /nfs/dbraw/zinc/33/10/10/688331010.db2.gz MBNNZMXPFLNXQQ-GFCCVEGCSA-N 1 2 282.347 1.309 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C1(C#N)CCCC1 ZINC000874701234 688332695 /nfs/dbraw/zinc/33/26/95/688332695.db2.gz ZCLJFCYEBJENRU-CYBMUJFWSA-N 1 2 279.384 1.297 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C1(C#N)CCCC1 ZINC000874701234 688332700 /nfs/dbraw/zinc/33/27/00/688332700.db2.gz ZCLJFCYEBJENRU-CYBMUJFWSA-N 1 2 279.384 1.297 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)C ZINC001018020690 688342886 /nfs/dbraw/zinc/34/28/86/688342886.db2.gz SLVFBXMDVBZENI-SOUVJXGZSA-N 1 2 262.397 1.977 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)C ZINC001018020690 688342895 /nfs/dbraw/zinc/34/28/95/688342895.db2.gz SLVFBXMDVBZENI-SOUVJXGZSA-N 1 2 262.397 1.977 20 30 CDEDLO CC(=NNC1=[NH+]C[C@H](C)N1)c1cc(F)cc(F)c1O ZINC000779792739 688381828 /nfs/dbraw/zinc/38/18/28/688381828.db2.gz SWFYZKLQJZVUEL-LURJTMIESA-N 1 2 268.267 1.332 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2scnc2C(F)F)C1 ZINC001015227199 688403382 /nfs/dbraw/zinc/40/33/82/688403382.db2.gz DVUVWXQVIRXZNO-QMMMGPOBSA-N 1 2 285.319 1.518 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2scnc2C(F)F)C1 ZINC001015227199 688403388 /nfs/dbraw/zinc/40/33/88/688403388.db2.gz DVUVWXQVIRXZNO-QMMMGPOBSA-N 1 2 285.319 1.518 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccccc2COC)C1 ZINC001030604918 688416872 /nfs/dbraw/zinc/41/68/72/688416872.db2.gz YUVFGXBJHJNMPS-UHFFFAOYSA-N 1 2 272.348 1.270 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1CCC(OC)CC1 ZINC001038639016 688473543 /nfs/dbraw/zinc/47/35/43/688473543.db2.gz MAGBRKZHUXEWIS-MOKVOYLWSA-N 1 2 264.369 1.015 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1CCC(OC)CC1 ZINC001038639016 688473544 /nfs/dbraw/zinc/47/35/44/688473544.db2.gz MAGBRKZHUXEWIS-MOKVOYLWSA-N 1 2 264.369 1.015 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2F)C1 ZINC000932160105 688498163 /nfs/dbraw/zinc/49/81/63/688498163.db2.gz BTQCLGSQQYCEHI-STQMWFEESA-N 1 2 278.327 1.801 20 30 CDEDLO N#C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2F)C1 ZINC000932160105 688498167 /nfs/dbraw/zinc/49/81/67/688498167.db2.gz BTQCLGSQQYCEHI-STQMWFEESA-N 1 2 278.327 1.801 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ncccc2F)CC1 ZINC000825077733 688503643 /nfs/dbraw/zinc/50/36/43/688503643.db2.gz GQUUMWJAOYEHMW-UHFFFAOYSA-N 1 2 261.300 1.002 20 30 CDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](C[C@H](C)OC)C1 ZINC001031077543 688520893 /nfs/dbraw/zinc/52/08/93/688520893.db2.gz YXSXSQHDRLIBME-QEJZJMRPSA-N 1 2 296.411 1.193 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccncc1F ZINC001038125028 688559158 /nfs/dbraw/zinc/55/91/58/688559158.db2.gz VIGMEFLZRDWAPQ-LLVKDONJSA-N 1 2 261.300 1.048 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccncc1F ZINC001038125028 688559167 /nfs/dbraw/zinc/55/91/67/688559167.db2.gz VIGMEFLZRDWAPQ-LLVKDONJSA-N 1 2 261.300 1.048 20 30 CDEDLO C#CC[C@@H]([NH2+]C1CCC(C(F)F)CC1)C(=O)OC ZINC000839168356 688582021 /nfs/dbraw/zinc/58/20/21/688582021.db2.gz LJOKBZWUIYRRPB-VQXHTEKXSA-N 1 2 259.296 1.965 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n(C)n1 ZINC001017397045 688593453 /nfs/dbraw/zinc/59/34/53/688593453.db2.gz FFEWZJBFYFLHCT-OKILXGFUSA-N 1 2 286.379 1.041 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n(C)n1 ZINC001017397045 688593485 /nfs/dbraw/zinc/59/34/85/688593485.db2.gz FFEWZJBFYFLHCT-OKILXGFUSA-N 1 2 286.379 1.041 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001030665664 688656442 /nfs/dbraw/zinc/65/64/42/688656442.db2.gz NXIHDOOVFHHZFV-ZDUSSCGKSA-N 1 2 264.369 1.015 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)nc1C(C)C ZINC001038560525 688669738 /nfs/dbraw/zinc/66/97/38/688669738.db2.gz BTDKZRQIHVUYRK-AWEZNQCLSA-N 1 2 285.391 1.951 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)nc1C(C)C ZINC001038560525 688669755 /nfs/dbraw/zinc/66/97/55/688669755.db2.gz BTDKZRQIHVUYRK-AWEZNQCLSA-N 1 2 285.391 1.951 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cc[nH]c2)C1 ZINC001073615051 688695324 /nfs/dbraw/zinc/69/53/24/688695324.db2.gz GFASFFSPRMDUFF-CYBMUJFWSA-N 1 2 297.786 1.588 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cc[nH]c2)C1 ZINC001073615051 688695338 /nfs/dbraw/zinc/69/53/38/688695338.db2.gz GFASFFSPRMDUFF-CYBMUJFWSA-N 1 2 297.786 1.588 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001032119270 688734060 /nfs/dbraw/zinc/73/40/60/688734060.db2.gz KRGSCOLHGOVLGS-UHFFFAOYSA-N 1 2 293.798 1.918 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cnoc1C(C)C ZINC001038875768 688734445 /nfs/dbraw/zinc/73/44/45/688734445.db2.gz BZLBIANSDDIZSY-NSHDSACASA-N 1 2 263.341 1.788 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cnoc1C(C)C ZINC001038875768 688734456 /nfs/dbraw/zinc/73/44/56/688734456.db2.gz BZLBIANSDDIZSY-NSHDSACASA-N 1 2 263.341 1.788 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(C)cc2F)C1 ZINC001043965364 688764635 /nfs/dbraw/zinc/76/46/35/688764635.db2.gz BIAGZTFFQXAZPS-UHFFFAOYSA-N 1 2 274.339 1.914 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)OCCCc1[nH+]ccn1C ZINC000835330326 688812045 /nfs/dbraw/zinc/81/20/45/688812045.db2.gz SAYPFJXWFIKQCV-NEPJUHHUSA-N 1 2 264.325 1.487 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCCC1(C)C ZINC000884142968 688825423 /nfs/dbraw/zinc/82/54/23/688825423.db2.gz RBQCCIXVAHLWSV-QWRGUYRKSA-N 1 2 268.357 1.128 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000800349878 688830533 /nfs/dbraw/zinc/83/05/33/688830533.db2.gz VYCZFBAQEIQBCY-ZIAGYGMSSA-N 1 2 283.368 1.374 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@@H]3CCCCO3)C2)cn1 ZINC001031280061 688832830 /nfs/dbraw/zinc/83/28/30/688832830.db2.gz XNEGYLFIYVKKEP-INIZCTEOSA-N 1 2 299.374 1.046 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1n[nH]c(C)c1C ZINC001050845757 688833913 /nfs/dbraw/zinc/83/39/13/688833913.db2.gz UNGXBZOZZHHHPG-CYBMUJFWSA-N 1 2 292.383 1.033 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1n[nH]c(C)c1C ZINC001050845757 688833917 /nfs/dbraw/zinc/83/39/17/688833917.db2.gz UNGXBZOZZHHHPG-CYBMUJFWSA-N 1 2 292.383 1.033 20 30 CDEDLO COc1ccc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1C#N ZINC000880875042 694237133 /nfs/dbraw/zinc/23/71/33/694237133.db2.gz AWJVALDWVIBTTQ-LLVKDONJSA-N 1 2 299.334 1.974 20 30 CDEDLO CCC#C[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879762887 688846103 /nfs/dbraw/zinc/84/61/03/688846103.db2.gz HCOTWNLRGYHOMP-PWSUYJOCSA-N 1 2 276.302 1.931 20 30 CDEDLO CCC#C[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879762887 688846106 /nfs/dbraw/zinc/84/61/06/688846106.db2.gz HCOTWNLRGYHOMP-PWSUYJOCSA-N 1 2 276.302 1.931 20 30 CDEDLO CC[N@H+](CCS(C)(=O)=O)Cc1ccc(C#N)cc1C ZINC000186311762 688850667 /nfs/dbraw/zinc/85/06/67/688850667.db2.gz KFRMXOYZZVRAKZ-UHFFFAOYSA-N 1 2 280.393 1.733 20 30 CDEDLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccc(C#N)cc1C ZINC000186311762 688850671 /nfs/dbraw/zinc/85/06/71/688850671.db2.gz KFRMXOYZZVRAKZ-UHFFFAOYSA-N 1 2 280.393 1.733 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)nc1 ZINC000779097828 688869003 /nfs/dbraw/zinc/86/90/03/688869003.db2.gz XXOXIDWZZSQGPH-GFCCVEGCSA-N 1 2 266.304 1.004 20 30 CDEDLO COC(=O)C1CC[NH+](Cc2cncc(C#N)c2)CC1 ZINC000721571779 688877764 /nfs/dbraw/zinc/87/77/64/688877764.db2.gz IUUGXCFRFQRZFN-UHFFFAOYSA-N 1 2 259.309 1.338 20 30 CDEDLO C#CC[NH+]1CCC(C)(NC(=O)c2cccc3nc[nH]c32)CC1 ZINC001045595596 694293553 /nfs/dbraw/zinc/29/35/53/694293553.db2.gz ICCZTPLCPYNNKJ-UHFFFAOYSA-N 1 2 296.374 1.780 20 30 CDEDLO COc1ccccc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000819393434 694336595 /nfs/dbraw/zinc/33/65/95/694336595.db2.gz DPDBUJQTOWYXEJ-GFCCVEGCSA-N 1 2 263.341 1.313 20 30 CDEDLO COc1ccccc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000819393434 694336599 /nfs/dbraw/zinc/33/65/99/694336599.db2.gz DPDBUJQTOWYXEJ-GFCCVEGCSA-N 1 2 263.341 1.313 20 30 CDEDLO C=C(C)[C@H](CC(=O)O[C@@H](C)C[NH+]1CCOCC1)OCC ZINC000784914281 694338271 /nfs/dbraw/zinc/33/82/71/694338271.db2.gz NCHMOGJISRUXBB-KBPBESRZSA-N 1 2 285.384 1.622 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C)o2)C1 ZINC001035274097 694345971 /nfs/dbraw/zinc/34/59/71/694345971.db2.gz ZLEYJWNTNZHCAD-CYBMUJFWSA-N 1 2 278.352 1.595 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(C)o2)C1 ZINC001035274097 694345977 /nfs/dbraw/zinc/34/59/77/694345977.db2.gz ZLEYJWNTNZHCAD-CYBMUJFWSA-N 1 2 278.352 1.595 20 30 CDEDLO C#Cc1cncc(C(=O)NC2C[NH+](C[C@@H]3CC[C@@H](C)O3)C2)c1 ZINC001030928428 694345158 /nfs/dbraw/zinc/34/51/58/694345158.db2.gz SHAHDLDSHLISMN-WBMJQRKESA-N 1 2 299.374 1.044 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+](CC(N)=O)C2CCOCC2)c1 ZINC000880391243 694365420 /nfs/dbraw/zinc/36/54/20/694365420.db2.gz GALVHQUXAYNGQL-UHFFFAOYSA-N 1 2 291.326 1.164 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+](CC(N)=O)C2CCOCC2)c1 ZINC000880391243 694365423 /nfs/dbraw/zinc/36/54/23/694365423.db2.gz GALVHQUXAYNGQL-UHFFFAOYSA-N 1 2 291.326 1.164 20 30 CDEDLO CS[C@H]1CC[N@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000840114352 694368290 /nfs/dbraw/zinc/36/82/90/694368290.db2.gz QZDVJCHUYYSHKE-NSHDSACASA-N 1 2 263.366 1.423 20 30 CDEDLO CS[C@H]1CC[N@@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000840114352 694368296 /nfs/dbraw/zinc/36/82/96/694368296.db2.gz QZDVJCHUYYSHKE-NSHDSACASA-N 1 2 263.366 1.423 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc(OC2CCC2)c1 ZINC001038868837 694397593 /nfs/dbraw/zinc/39/75/93/694397593.db2.gz OPYRTSASNFIAJN-AWEZNQCLSA-N 1 2 299.374 1.450 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc(OC2CCC2)c1 ZINC001038868837 694397596 /nfs/dbraw/zinc/39/75/96/694397596.db2.gz OPYRTSASNFIAJN-AWEZNQCLSA-N 1 2 299.374 1.450 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccn(C(C)C)n2)C1 ZINC001035526310 694428070 /nfs/dbraw/zinc/42/80/70/694428070.db2.gz IBSYXJRQCXZQMM-ZDUSSCGKSA-N 1 2 292.383 1.081 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccn(C(C)C)n2)C1 ZINC001035526310 694428075 /nfs/dbraw/zinc/42/80/75/694428075.db2.gz IBSYXJRQCXZQMM-ZDUSSCGKSA-N 1 2 292.383 1.081 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3n[nH]cc3F)cc2C1 ZINC001054279846 694496197 /nfs/dbraw/zinc/49/61/97/694496197.db2.gz PUJCZVIMTPBLOS-UHFFFAOYSA-N 1 2 298.321 1.428 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3n[nH]cc3F)cc2C1 ZINC001054279846 694496204 /nfs/dbraw/zinc/49/62/04/694496204.db2.gz PUJCZVIMTPBLOS-UHFFFAOYSA-N 1 2 298.321 1.428 20 30 CDEDLO C#CC[N@H+]1CCCC[C@H](NC(=O)c2snnc2C)C1 ZINC001034097936 692125682 /nfs/dbraw/zinc/12/56/82/692125682.db2.gz NECBTSVFNSTWTC-NSHDSACASA-N 1 2 278.381 1.064 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@H](NC(=O)c2snnc2C)C1 ZINC001034097936 692125695 /nfs/dbraw/zinc/12/56/95/692125695.db2.gz NECBTSVFNSTWTC-NSHDSACASA-N 1 2 278.381 1.064 20 30 CDEDLO O=C(C#CC1CC1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccon1 ZINC001049456475 692130322 /nfs/dbraw/zinc/13/03/22/692130322.db2.gz MHXNIPOGMFVYKB-HOTGVXAUSA-N 1 2 299.374 1.653 20 30 CDEDLO O=C(C#CC1CC1)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ccon1 ZINC001049456475 692130331 /nfs/dbraw/zinc/13/03/31/692130331.db2.gz MHXNIPOGMFVYKB-HOTGVXAUSA-N 1 2 299.374 1.653 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cc1nc(-c2ccco2)no1 ZINC000852752849 692162653 /nfs/dbraw/zinc/16/26/53/692162653.db2.gz NYNJYSNKTMYLDJ-UHFFFAOYSA-N 1 2 275.308 1.801 20 30 CDEDLO C#CCC[N@H+](CCOC)Cc1nc(-c2ccco2)no1 ZINC000852752849 692162660 /nfs/dbraw/zinc/16/26/60/692162660.db2.gz NYNJYSNKTMYLDJ-UHFFFAOYSA-N 1 2 275.308 1.801 20 30 CDEDLO C=C(Cl)CN1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001042974021 692174326 /nfs/dbraw/zinc/17/43/26/692174326.db2.gz PUFHFKMQQHIQRY-VXGBXAGGSA-N 1 2 294.786 1.408 20 30 CDEDLO C=C(Cl)CN1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001042974021 692174335 /nfs/dbraw/zinc/17/43/35/692174335.db2.gz PUFHFKMQQHIQRY-VXGBXAGGSA-N 1 2 294.786 1.408 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@](C)(c2ccccc2F)C1=O ZINC000872600541 692174710 /nfs/dbraw/zinc/17/47/10/692174710.db2.gz HETMORCYHZMBHI-BLLLJJGKSA-N 1 2 274.339 1.837 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@](C)(c2ccccc2F)C1=O ZINC000872600541 692174717 /nfs/dbraw/zinc/17/47/17/692174717.db2.gz HETMORCYHZMBHI-BLLLJJGKSA-N 1 2 274.339 1.837 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cnco3)[C@@H]2C1 ZINC001050106997 692194306 /nfs/dbraw/zinc/19/43/06/692194306.db2.gz SAVZWOPCMQCSEM-NWDGAFQWSA-N 1 2 295.770 1.964 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3cnco3)[C@@H]2C1 ZINC001050106997 692194315 /nfs/dbraw/zinc/19/43/15/692194315.db2.gz SAVZWOPCMQCSEM-NWDGAFQWSA-N 1 2 295.770 1.964 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cnc(F)c(Cl)c2)CC1 ZINC000931344412 692221210 /nfs/dbraw/zinc/22/12/10/692221210.db2.gz MUESGWHLCKXGSK-UHFFFAOYSA-N 1 2 295.745 1.655 20 30 CDEDLO C#CC[C@@H]1NC(=O)N(Cc2c[nH+]c(C)cc2C)C1=O ZINC000842256026 692227214 /nfs/dbraw/zinc/22/72/14/692227214.db2.gz JCPHFTOXGGDZJB-LBPRGKRZSA-N 1 2 257.293 1.142 20 30 CDEDLO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001027420077 692278519 /nfs/dbraw/zinc/27/85/19/692278519.db2.gz QGDWSEWXWLUOFA-ZJUUUORDSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001027420077 692278528 /nfs/dbraw/zinc/27/85/28/692278528.db2.gz QGDWSEWXWLUOFA-ZJUUUORDSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001027420077 692278536 /nfs/dbraw/zinc/27/85/36/692278536.db2.gz QGDWSEWXWLUOFA-ZJUUUORDSA-N 1 2 282.281 1.996 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2ccccc2O1 ZINC001038820759 692277601 /nfs/dbraw/zinc/27/76/01/692277601.db2.gz MFOGNLHUDZKJFH-ZBFHGGJFSA-N 1 2 284.359 1.204 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2ccccc2O1 ZINC001038820759 692277605 /nfs/dbraw/zinc/27/76/05/692277605.db2.gz MFOGNLHUDZKJFH-ZBFHGGJFSA-N 1 2 284.359 1.204 20 30 CDEDLO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001027420077 692278509 /nfs/dbraw/zinc/27/85/09/692278509.db2.gz QGDWSEWXWLUOFA-ZJUUUORDSA-N 1 2 282.281 1.996 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2CC3(CCC3)CO2)nn1 ZINC000881395868 692304429 /nfs/dbraw/zinc/30/44/29/692304429.db2.gz WKEHOJLMZCMCIZ-AWEZNQCLSA-N 1 2 274.368 1.350 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(C)cc2OC)C1 ZINC001031283467 692324479 /nfs/dbraw/zinc/32/44/79/692324479.db2.gz XLRRMLLIAMTCAG-UHFFFAOYSA-N 1 2 274.364 1.994 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cnc([C@H](C)OC)s2)C1 ZINC001014426263 692338309 /nfs/dbraw/zinc/33/83/09/692338309.db2.gz ACMLDPKMZREUJD-WDEREUQCSA-N 1 2 293.392 1.288 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnc([C@H](C)OC)s2)C1 ZINC001014426263 692338311 /nfs/dbraw/zinc/33/83/11/692338311.db2.gz ACMLDPKMZREUJD-WDEREUQCSA-N 1 2 293.392 1.288 20 30 CDEDLO Cc1[nH+]c(C(C)N=Nc2ccc([N+](=O)[O-])cn2)cn1C ZINC000800810207 692361559 /nfs/dbraw/zinc/36/15/59/692361559.db2.gz IYBPBGFTYCHILL-UHFFFAOYSA-N 1 2 274.284 1.868 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2=COCCO2)C1 ZINC001032875549 692399666 /nfs/dbraw/zinc/39/96/66/692399666.db2.gz FZJVEHJNVZHXRM-NSHDSACASA-N 1 2 286.759 1.160 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2=COCCO2)C1 ZINC001032875549 692399670 /nfs/dbraw/zinc/39/96/70/692399670.db2.gz FZJVEHJNVZHXRM-NSHDSACASA-N 1 2 286.759 1.160 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1C1CC1)CO2 ZINC001053952889 692412555 /nfs/dbraw/zinc/41/25/55/692412555.db2.gz FPOIGCUFXCCXFM-QLFBSQMISA-N 1 2 288.391 1.015 20 30 CDEDLO COC[C@@H](C#N)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000857067365 692450905 /nfs/dbraw/zinc/45/09/05/692450905.db2.gz KPYXUNAESLMMTI-CABCVRRESA-N 1 2 288.347 1.733 20 30 CDEDLO COC[C@@H](C#N)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000857067365 692450911 /nfs/dbraw/zinc/45/09/11/692450911.db2.gz KPYXUNAESLMMTI-CABCVRRESA-N 1 2 288.347 1.733 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cccc(C)c1 ZINC001032545226 692499342 /nfs/dbraw/zinc/49/93/42/692499342.db2.gz DBMXXBJEFLKELQ-IRXDYDNUSA-N 1 2 282.387 1.846 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cccc(C)c1 ZINC001032545226 692499344 /nfs/dbraw/zinc/49/93/44/692499344.db2.gz DBMXXBJEFLKELQ-IRXDYDNUSA-N 1 2 282.387 1.846 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cccnn2)C1 ZINC001034456309 692504300 /nfs/dbraw/zinc/50/43/00/692504300.db2.gz SXZOJIGLVPXHNA-LBPRGKRZSA-N 1 2 294.786 1.813 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cccnn2)C1 ZINC001034456309 692504313 /nfs/dbraw/zinc/50/43/13/692504313.db2.gz SXZOJIGLVPXHNA-LBPRGKRZSA-N 1 2 294.786 1.813 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)C1 ZINC001031214842 692509790 /nfs/dbraw/zinc/50/97/90/692509790.db2.gz OFPNEUVDXYDAJR-GOEBONIOSA-N 1 2 292.423 1.651 20 30 CDEDLO COc1ccc(C2=NO[C@@H](C[NH2+]CCC#N)C2)cc1C ZINC000819293500 692532472 /nfs/dbraw/zinc/53/24/72/692532472.db2.gz ROUPVZDOJLSCGB-CYBMUJFWSA-N 1 2 273.336 2.000 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001035623497 692533778 /nfs/dbraw/zinc/53/37/78/692533778.db2.gz BHDWJSALJQHIFM-ZTYXSZCMSA-N 1 2 290.407 1.282 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001035623497 692533785 /nfs/dbraw/zinc/53/37/85/692533785.db2.gz BHDWJSALJQHIFM-ZTYXSZCMSA-N 1 2 290.407 1.282 20 30 CDEDLO C=CCN1CC(N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001042758794 692543988 /nfs/dbraw/zinc/54/39/88/692543988.db2.gz WUUXPPJCTKJIFV-UHFFFAOYSA-N 1 2 288.395 1.091 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cccnc2)C1 ZINC001007132125 692561686 /nfs/dbraw/zinc/56/16/86/692561686.db2.gz YDHMCIUKYDNZTF-CQSZACIVSA-N 1 2 293.798 1.957 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cccnc2)C1 ZINC001007132125 692561691 /nfs/dbraw/zinc/56/16/91/692561691.db2.gz YDHMCIUKYDNZTF-CQSZACIVSA-N 1 2 293.798 1.957 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ncccc1CC ZINC001038430351 692566859 /nfs/dbraw/zinc/56/68/59/692566859.db2.gz MJZPRMDYFGQOEL-ZDUSSCGKSA-N 1 2 257.337 1.081 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncccc1CC ZINC001038430351 692566863 /nfs/dbraw/zinc/56/68/63/692566863.db2.gz MJZPRMDYFGQOEL-ZDUSSCGKSA-N 1 2 257.337 1.081 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1OC(C)C ZINC001032758773 694536348 /nfs/dbraw/zinc/53/63/48/694536348.db2.gz HKUBYKIMHBWVSG-KBPBESRZSA-N 1 2 299.374 1.401 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1OC(C)C ZINC001032758773 694536354 /nfs/dbraw/zinc/53/63/54/694536354.db2.gz HKUBYKIMHBWVSG-KBPBESRZSA-N 1 2 299.374 1.401 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC000884436991 692616811 /nfs/dbraw/zinc/61/68/11/692616811.db2.gz UIKAULIKVCGOKD-SDDRHHMPSA-N 1 2 294.376 1.167 20 30 CDEDLO C=C1CC[NH+](Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000876694242 692795322 /nfs/dbraw/zinc/79/53/22/692795322.db2.gz GIQJBMWGOAWGQP-UHFFFAOYSA-N 1 2 266.366 1.486 20 30 CDEDLO COC[C@@H](C)N[NH+]=C(C)c1cc(F)c(N)c(F)c1 ZINC000814895333 692809752 /nfs/dbraw/zinc/80/97/52/692809752.db2.gz KOTVMHVWFPLVBE-SSDOTTSWSA-N 1 2 257.284 1.896 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC1(C)C)CO2 ZINC001053900388 692810079 /nfs/dbraw/zinc/81/00/79/692810079.db2.gz LDNRFQZUOIHPTG-ZIAGYGMSSA-N 1 2 290.407 1.405 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc3ccccn3c2)C1 ZINC001035530420 692820837 /nfs/dbraw/zinc/82/08/37/692820837.db2.gz MYHAFYDPQYRNRJ-INIZCTEOSA-N 1 2 299.374 1.556 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc3ccccn3c2)C1 ZINC001035530420 692820839 /nfs/dbraw/zinc/82/08/39/692820839.db2.gz MYHAFYDPQYRNRJ-INIZCTEOSA-N 1 2 299.374 1.556 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)cc1F ZINC001038732042 692829784 /nfs/dbraw/zinc/82/97/84/692829784.db2.gz ISAODHVOBWRCRM-CYBMUJFWSA-N 1 2 274.339 1.962 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)cc1F ZINC001038732042 692829785 /nfs/dbraw/zinc/82/97/85/692829785.db2.gz ISAODHVOBWRCRM-CYBMUJFWSA-N 1 2 274.339 1.962 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(F)cccc2OC)C1 ZINC001042765860 692841713 /nfs/dbraw/zinc/84/17/13/692841713.db2.gz HRIBHILVGJRTQX-UHFFFAOYSA-N 1 2 290.338 1.614 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)nc(C)c2)C1 ZINC001035384951 692843438 /nfs/dbraw/zinc/84/34/38/692843438.db2.gz PQPJJYNABDHKEE-HNNXBMFYSA-N 1 2 289.379 1.315 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)nc(C)c2)C1 ZINC001035384951 692843442 /nfs/dbraw/zinc/84/34/42/692843442.db2.gz PQPJJYNABDHKEE-HNNXBMFYSA-N 1 2 289.379 1.315 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)C2CC2)C1 ZINC001009831263 692850264 /nfs/dbraw/zinc/85/02/64/692850264.db2.gz LBBLKMTVSWWVJR-HNNXBMFYSA-N 1 2 269.348 1.659 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)C2CC2)C1 ZINC001009831263 692850265 /nfs/dbraw/zinc/85/02/65/692850265.db2.gz LBBLKMTVSWWVJR-HNNXBMFYSA-N 1 2 269.348 1.659 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001032529951 692857068 /nfs/dbraw/zinc/85/70/68/692857068.db2.gz BHPGMEIXYLGGFZ-AJNGGQMLSA-N 1 2 258.365 1.341 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001032529951 692857070 /nfs/dbraw/zinc/85/70/70/692857070.db2.gz BHPGMEIXYLGGFZ-AJNGGQMLSA-N 1 2 258.365 1.341 20 30 CDEDLO C[N@H+](C[C@H](O)CC#N)[C@H]1CCCN(c2ccccc2)C1=O ZINC000809574991 692875365 /nfs/dbraw/zinc/87/53/65/692875365.db2.gz UTHVWLNNQAJZSF-CABCVRRESA-N 1 2 287.363 1.388 20 30 CDEDLO C[N@@H+](C[C@H](O)CC#N)[C@H]1CCCN(c2ccccc2)C1=O ZINC000809574991 692875368 /nfs/dbraw/zinc/87/53/68/692875368.db2.gz UTHVWLNNQAJZSF-CABCVRRESA-N 1 2 287.363 1.388 20 30 CDEDLO C=CCC1(C(=O)OCC[N@@H+]2CCO[C@@H](C)C2)CCC1 ZINC000800213479 692903897 /nfs/dbraw/zinc/90/38/97/692903897.db2.gz ZSJAABLMMUBQHY-ZDUSSCGKSA-N 1 2 267.369 1.997 20 30 CDEDLO C=CCC1(C(=O)OCC[N@H+]2CCO[C@@H](C)C2)CCC1 ZINC000800213479 692903899 /nfs/dbraw/zinc/90/38/99/692903899.db2.gz ZSJAABLMMUBQHY-ZDUSSCGKSA-N 1 2 267.369 1.997 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2n[nH]nc2C)C1 ZINC001033913585 692913165 /nfs/dbraw/zinc/91/31/65/692913165.db2.gz UVDZKZUDXUBQMI-LLVKDONJSA-N 1 2 297.790 1.402 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2n[nH]nc2C)C1 ZINC001033913585 692913169 /nfs/dbraw/zinc/91/31/69/692913169.db2.gz UVDZKZUDXUBQMI-LLVKDONJSA-N 1 2 297.790 1.402 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1n[nH]c(C)c1C ZINC001050845759 692922268 /nfs/dbraw/zinc/92/22/68/692922268.db2.gz UNGXBZOZZHHHPG-ZDUSSCGKSA-N 1 2 292.383 1.033 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1n[nH]c(C)c1C ZINC001050845759 692922276 /nfs/dbraw/zinc/92/22/76/692922276.db2.gz UNGXBZOZZHHHPG-ZDUSSCGKSA-N 1 2 292.383 1.033 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CC1CCC1)CO2 ZINC001053765094 692940419 /nfs/dbraw/zinc/94/04/19/692940419.db2.gz GHLCHPSRUCQIIK-CQSZACIVSA-N 1 2 276.380 1.159 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)cc1 ZINC000249268724 692955046 /nfs/dbraw/zinc/95/50/46/692955046.db2.gz IUPTWFDOFBGJGG-WWGRRREGSA-N 1 2 290.363 1.559 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)cc1 ZINC000249268724 692955050 /nfs/dbraw/zinc/95/50/50/692955050.db2.gz IUPTWFDOFBGJGG-WWGRRREGSA-N 1 2 290.363 1.559 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2nccs2)CC[C@H]1C ZINC001071930443 692962311 /nfs/dbraw/zinc/96/23/11/692962311.db2.gz FEAGZKCMFGQALR-GHMZBOCLSA-N 1 2 263.366 1.359 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2nccs2)CC[C@H]1C ZINC001071930443 692962324 /nfs/dbraw/zinc/96/23/24/692962324.db2.gz FEAGZKCMFGQALR-GHMZBOCLSA-N 1 2 263.366 1.359 20 30 CDEDLO C#Cc1cncc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c1 ZINC000798152595 692979270 /nfs/dbraw/zinc/97/92/70/692979270.db2.gz XUFRGWQOKIAPRX-UHFFFAOYSA-N 1 2 298.371 1.760 20 30 CDEDLO C#Cc1cncc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c1 ZINC000798152595 692979275 /nfs/dbraw/zinc/97/92/75/692979275.db2.gz XUFRGWQOKIAPRX-UHFFFAOYSA-N 1 2 298.371 1.760 20 30 CDEDLO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)O[NH+]=C(N)CCO ZINC000121408865 692982540 /nfs/dbraw/zinc/98/25/40/692982540.db2.gz HVOAOTFTQICSEK-NEPJUHHUSA-N 1 2 293.367 1.232 20 30 CDEDLO N#Cc1cc(F)ccc1CN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000859330841 692993653 /nfs/dbraw/zinc/99/36/53/692993653.db2.gz LGVPHDSPFMWTMU-UHFFFAOYSA-N 1 2 299.353 1.738 20 30 CDEDLO C=CCC1(O)CCN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000884083799 693019627 /nfs/dbraw/zinc/01/96/27/693019627.db2.gz ZUDMDDMWGKVXCE-ZDUSSCGKSA-N 1 2 292.383 1.384 20 30 CDEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1=S ZINC000842622277 693020818 /nfs/dbraw/zinc/02/08/18/693020818.db2.gz KODSWRIKXFUQRL-OLZOCXBDSA-N 1 2 294.424 1.977 20 30 CDEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1=S ZINC000842622277 693020821 /nfs/dbraw/zinc/02/08/21/693020821.db2.gz KODSWRIKXFUQRL-OLZOCXBDSA-N 1 2 294.424 1.977 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001016295610 693041234 /nfs/dbraw/zinc/04/12/34/693041234.db2.gz UPTZGWQLZJWKRO-LLVKDONJSA-N 1 2 263.366 1.197 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001016295610 693041240 /nfs/dbraw/zinc/04/12/40/693041240.db2.gz UPTZGWQLZJWKRO-LLVKDONJSA-N 1 2 263.366 1.197 20 30 CDEDLO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+]2C[C@@H](F)CC)c1 ZINC001038679350 693048332 /nfs/dbraw/zinc/04/83/32/693048332.db2.gz BIBPOBFKLZKOOJ-LSDHHAIUSA-N 1 2 289.354 1.615 20 30 CDEDLO C#Cc1cncc(C(=O)NC[C@H]2CC[N@@H+]2C[C@@H](F)CC)c1 ZINC001038679350 693048334 /nfs/dbraw/zinc/04/83/34/693048334.db2.gz BIBPOBFKLZKOOJ-LSDHHAIUSA-N 1 2 289.354 1.615 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)C[C@](C)(CC)C1=O)[C@H](C)COC ZINC000853535706 694634037 /nfs/dbraw/zinc/63/40/37/694634037.db2.gz ZZBKLBXRKQYWSP-DOMZBBRYSA-N 1 2 282.384 1.642 20 30 CDEDLO C=CC[N@H+](CN1C(=O)C[C@](C)(CC)C1=O)[C@H](C)COC ZINC000853535706 694634038 /nfs/dbraw/zinc/63/40/38/694634038.db2.gz ZZBKLBXRKQYWSP-DOMZBBRYSA-N 1 2 282.384 1.642 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2scnc2CC)C1 ZINC000923567263 693074205 /nfs/dbraw/zinc/07/42/05/693074205.db2.gz ROFICOLAHGTIFN-NSHDSACASA-N 1 2 277.393 1.533 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2scnc2CC)C1 ZINC000923567263 693074207 /nfs/dbraw/zinc/07/42/07/693074207.db2.gz ROFICOLAHGTIFN-NSHDSACASA-N 1 2 277.393 1.533 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cc3cccnc3s2)C1 ZINC001015938423 693080394 /nfs/dbraw/zinc/08/03/94/693080394.db2.gz IJVSTBDOWVYFGU-LBPRGKRZSA-N 1 2 285.372 1.734 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc3cccnc3s2)C1 ZINC001015938423 693080398 /nfs/dbraw/zinc/08/03/98/693080398.db2.gz IJVSTBDOWVYFGU-LBPRGKRZSA-N 1 2 285.372 1.734 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cnc(C)o2)C1 ZINC001033140008 693099537 /nfs/dbraw/zinc/09/95/37/693099537.db2.gz RSPCTWFPFAWACG-GFCCVEGCSA-N 1 2 297.786 1.811 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cnc(C)o2)C1 ZINC001033140008 693099540 /nfs/dbraw/zinc/09/95/40/693099540.db2.gz RSPCTWFPFAWACG-GFCCVEGCSA-N 1 2 297.786 1.811 20 30 CDEDLO N#CCOc1cccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000786782465 693129028 /nfs/dbraw/zinc/12/90/28/693129028.db2.gz LQPUNCQQUROWLT-LBPRGKRZSA-N 1 2 296.330 1.987 20 30 CDEDLO C#C[C@H](NC(=O)CCc1c[nH+]cn1C)c1ccccc1 ZINC000843967140 693136784 /nfs/dbraw/zinc/13/67/84/693136784.db2.gz JPWGDXJACWVRJD-HNNXBMFYSA-N 1 2 267.332 1.843 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2nc3cnccc3s2)C1 ZINC001030656068 693154162 /nfs/dbraw/zinc/15/41/62/693154162.db2.gz NEVAGFHMACQOHV-UHFFFAOYSA-N 1 2 288.376 1.681 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2cnccc2c1 ZINC001038890476 693183623 /nfs/dbraw/zinc/18/36/23/693183623.db2.gz HHLMGZJEPJKSAS-MRXNPFEDSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2cnccc2c1 ZINC001038890476 693183628 /nfs/dbraw/zinc/18/36/28/693183628.db2.gz HHLMGZJEPJKSAS-MRXNPFEDSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1[nH]ncc1F)C2 ZINC001048560740 693207382 /nfs/dbraw/zinc/20/73/82/693207382.db2.gz PTYSETNIKFJZGM-ZSBIGDGJSA-N 1 2 290.342 1.155 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1[nH]ncc1F)C2 ZINC001048560740 693207386 /nfs/dbraw/zinc/20/73/86/693207386.db2.gz PTYSETNIKFJZGM-ZSBIGDGJSA-N 1 2 290.342 1.155 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncsc1C(C)C ZINC001038909038 693216142 /nfs/dbraw/zinc/21/61/42/693216142.db2.gz PDCIZMJZEYVKDF-LLVKDONJSA-N 1 2 277.393 1.704 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncsc1C(C)C ZINC001038909038 693216146 /nfs/dbraw/zinc/21/61/46/693216146.db2.gz PDCIZMJZEYVKDF-LLVKDONJSA-N 1 2 277.393 1.704 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ncc(Cl)s2)C1 ZINC001015264547 693216558 /nfs/dbraw/zinc/21/65/58/693216558.db2.gz QQQPJSPKUPFGNC-SECBINFHSA-N 1 2 283.784 1.624 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ncc(Cl)s2)C1 ZINC001015264547 693216563 /nfs/dbraw/zinc/21/65/63/693216563.db2.gz QQQPJSPKUPFGNC-SECBINFHSA-N 1 2 283.784 1.624 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccccn1 ZINC001050788631 693223555 /nfs/dbraw/zinc/22/35/55/693223555.db2.gz ABTMMFZXHAUOTJ-AWEZNQCLSA-N 1 2 289.379 1.478 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccccn1 ZINC001050788631 693223556 /nfs/dbraw/zinc/22/35/56/693223556.db2.gz ABTMMFZXHAUOTJ-AWEZNQCLSA-N 1 2 289.379 1.478 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CC[C@@H]2C[C@H]2C2CC2)nn1 ZINC000887458839 693230265 /nfs/dbraw/zinc/23/02/65/693230265.db2.gz DSZPUQXDWPNDDW-HIFRSBDPSA-N 1 2 258.369 1.827 20 30 CDEDLO Cc1[nH+]cc(C=Nn2c(C)cc(C)c(C#N)c2=O)n1C ZINC000853282074 693231522 /nfs/dbraw/zinc/23/15/22/693231522.db2.gz QEVNBINQEWFBSF-UHFFFAOYSA-N 1 2 269.308 1.261 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)OCCO[C@@H](C)C#N)ccn12 ZINC000848783152 693265260 /nfs/dbraw/zinc/26/52/60/693265260.db2.gz UKZCVHAVGCCQKH-NSHDSACASA-N 1 2 273.292 1.728 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccnn2C(C)C)C1 ZINC001031694563 693324001 /nfs/dbraw/zinc/32/40/01/693324001.db2.gz DDIXEFKVPQSXPA-UHFFFAOYSA-N 1 2 296.802 1.878 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn3cccnc23)C1 ZINC001043504436 693368787 /nfs/dbraw/zinc/36/87/87/693368787.db2.gz AKHKSEZVKPZOTO-UHFFFAOYSA-N 1 2 285.351 1.062 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1OCC[C@H]1C ZINC001028142412 694656901 /nfs/dbraw/zinc/65/69/01/694656901.db2.gz LNQFBQKKLWRFLU-WXHSDQCUSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1OCC[C@H]1C ZINC001028142412 694656905 /nfs/dbraw/zinc/65/69/05/694656905.db2.gz LNQFBQKKLWRFLU-WXHSDQCUSA-N 1 2 286.803 1.745 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782585776 693373464 /nfs/dbraw/zinc/37/34/64/693373464.db2.gz POQQZDZLJZZICD-LBPRGKRZSA-N 1 2 257.337 1.529 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782585776 693373472 /nfs/dbraw/zinc/37/34/72/693373472.db2.gz POQQZDZLJZZICD-LBPRGKRZSA-N 1 2 257.337 1.529 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CC)C[C@@H](C)O2 ZINC001071112244 694665078 /nfs/dbraw/zinc/66/50/78/694665078.db2.gz CBENWOMDWBIIJM-TZMCWYRMSA-N 1 2 286.803 1.841 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC)C[C@@H](C)O2 ZINC001071112244 694665079 /nfs/dbraw/zinc/66/50/79/694665079.db2.gz CBENWOMDWBIIJM-TZMCWYRMSA-N 1 2 286.803 1.841 20 30 CDEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](CCF)[C@H]2C)nn1 ZINC000993948149 693397450 /nfs/dbraw/zinc/39/74/50/693397450.db2.gz HVLIHMCMVVNOII-RYUDHWBXSA-N 1 2 295.362 1.016 20 30 CDEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](CCF)[C@H]2C)nn1 ZINC000993948149 693397453 /nfs/dbraw/zinc/39/74/53/693397453.db2.gz HVLIHMCMVVNOII-RYUDHWBXSA-N 1 2 295.362 1.016 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cn[nH]c2)c1 ZINC001038070652 694718648 /nfs/dbraw/zinc/71/86/48/694718648.db2.gz QAKRGLDZANKRAV-OAHLLOKOSA-N 1 2 295.346 1.286 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cn[nH]c2)c1 ZINC001038070652 694718653 /nfs/dbraw/zinc/71/86/53/694718653.db2.gz QAKRGLDZANKRAV-OAHLLOKOSA-N 1 2 295.346 1.286 20 30 CDEDLO C#Cc1cccc(NC(=O)CNC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000788646593 693408972 /nfs/dbraw/zinc/40/89/72/693408972.db2.gz HRYTVMUKSMTKGN-UHFFFAOYSA-N 1 2 296.330 1.079 20 30 CDEDLO C#Cc1cccc(NC(=O)CNC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000788646593 693408981 /nfs/dbraw/zinc/40/89/81/693408981.db2.gz HRYTVMUKSMTKGN-UHFFFAOYSA-N 1 2 296.330 1.079 20 30 CDEDLO CC1(C)C[S@](=O)CC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886158436 693429771 /nfs/dbraw/zinc/42/97/71/693429771.db2.gz ZDRVFYBCMDNKIQ-CWTRNNRKSA-N 1 2 284.425 1.274 20 30 CDEDLO CC1(C)C[S@](=O)CC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886158436 693429777 /nfs/dbraw/zinc/42/97/77/693429777.db2.gz ZDRVFYBCMDNKIQ-CWTRNNRKSA-N 1 2 284.425 1.274 20 30 CDEDLO NC(=O)c1ccc(CO[NH+]=C(N)Cc2ccccc2)cc1 ZINC000072001880 694696490 /nfs/dbraw/zinc/69/64/90/694696490.db2.gz WCUIVKDUQYDZJZ-UHFFFAOYSA-N 1 2 283.331 1.817 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000347417193 694697167 /nfs/dbraw/zinc/69/71/67/694697167.db2.gz DLKKABJBJFYNLP-NSHDSACASA-N 1 2 283.335 1.640 20 30 CDEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CCOC1 ZINC001038093793 694715928 /nfs/dbraw/zinc/71/59/28/694715928.db2.gz BGCDCOBUENETLZ-IAGOWNOFSA-N 1 2 298.386 1.265 20 30 CDEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1CCOC1 ZINC001038093793 694715929 /nfs/dbraw/zinc/71/59/29/694715929.db2.gz BGCDCOBUENETLZ-IAGOWNOFSA-N 1 2 298.386 1.265 20 30 CDEDLO CN(C(=O)c1cccc2[nH+]ccn21)C1(C#N)CCC1 ZINC000781799515 694728121 /nfs/dbraw/zinc/72/81/21/694728121.db2.gz IIUSPKZMECDWKT-UHFFFAOYSA-N 1 2 254.293 1.853 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cnccc2C#N)C1 ZINC000359099192 694773098 /nfs/dbraw/zinc/77/30/98/694773098.db2.gz UFBKPDGGWXXWHZ-CYBMUJFWSA-N 1 2 295.346 1.707 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@]23CCO[C@H]2CCCC3)C1 ZINC001030663857 694755295 /nfs/dbraw/zinc/75/52/95/694755295.db2.gz IPMLVOXUIAMUOO-GOEBONIOSA-N 1 2 276.380 1.159 20 30 CDEDLO C#CCOCC[NH+]1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000851985435 694779929 /nfs/dbraw/zinc/77/99/29/694779929.db2.gz LUXLWZUVWVNLQF-UHFFFAOYSA-N 1 2 299.296 1.271 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1scnc1CC ZINC001038325727 694791211 /nfs/dbraw/zinc/79/12/11/694791211.db2.gz XJLMTHFTFBDBAV-JTQLQIEISA-N 1 2 265.382 1.696 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1scnc1CC ZINC001038325727 694791217 /nfs/dbraw/zinc/79/12/17/694791217.db2.gz XJLMTHFTFBDBAV-JTQLQIEISA-N 1 2 265.382 1.696 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@]2(C)CCCOC2)C1 ZINC001031155963 694808326 /nfs/dbraw/zinc/80/83/26/694808326.db2.gz FGUVGEFPPLNYHI-CQSZACIVSA-N 1 2 252.358 1.180 20 30 CDEDLO CC(C)C#CC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000830106589 694808330 /nfs/dbraw/zinc/80/83/30/694808330.db2.gz ISPMBGLCIDUMDM-UONOGXRCSA-N 1 2 259.353 1.952 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)cc(C)n2)C1 ZINC001035425091 694814220 /nfs/dbraw/zinc/81/42/20/694814220.db2.gz ZEBQYFFGVJQBTJ-CQSZACIVSA-N 1 2 289.379 1.315 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(C)cc(C)n2)C1 ZINC001035425091 694814222 /nfs/dbraw/zinc/81/42/22/694814222.db2.gz ZEBQYFFGVJQBTJ-CQSZACIVSA-N 1 2 289.379 1.315 20 30 CDEDLO C#CCCCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000840274645 694814806 /nfs/dbraw/zinc/81/48/06/694814806.db2.gz FKWLGGFVRLMYQU-ZIAGYGMSSA-N 1 2 288.395 1.899 20 30 CDEDLO C#CCCCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000840274645 694814809 /nfs/dbraw/zinc/81/48/09/694814809.db2.gz FKWLGGFVRLMYQU-ZIAGYGMSSA-N 1 2 288.395 1.899 20 30 CDEDLO C=CCCC(=O)N(C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001066985953 694814878 /nfs/dbraw/zinc/81/48/78/694814878.db2.gz MBCDUQKDIGSIFG-UHFFFAOYSA-N 1 2 292.383 1.225 20 30 CDEDLO CC#CC[N@@H+]1CCCC[C@@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001034143957 694826416 /nfs/dbraw/zinc/82/64/16/694826416.db2.gz YFOUSJMREXKOES-CQSZACIVSA-N 1 2 288.395 1.634 20 30 CDEDLO CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001034143957 694826417 /nfs/dbraw/zinc/82/64/17/694826417.db2.gz YFOUSJMREXKOES-CQSZACIVSA-N 1 2 288.395 1.634 20 30 CDEDLO C#CCCCNS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000881946856 694596336 /nfs/dbraw/zinc/59/63/36/694596336.db2.gz ZXUOEKDAXXZXRN-UHFFFAOYSA-N 1 2 292.404 1.366 20 30 CDEDLO C#CCCCNS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000881946856 694596341 /nfs/dbraw/zinc/59/63/41/694596341.db2.gz ZXUOEKDAXXZXRN-UHFFFAOYSA-N 1 2 292.404 1.366 20 30 CDEDLO C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000864788237 694619928 /nfs/dbraw/zinc/61/99/28/694619928.db2.gz CUMCAZQLYMOQGW-HSWBROFVSA-N 1 2 299.374 1.624 20 30 CDEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1sccc1C(N)=O ZINC000846985634 694623272 /nfs/dbraw/zinc/62/32/72/694623272.db2.gz GVVWSAOTRLXDSJ-IUCAKERBSA-N 1 2 294.380 1.456 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCO[C@H]2C)C1 ZINC001044091003 694630358 /nfs/dbraw/zinc/63/03/58/694630358.db2.gz HJTFWOMGRAVIFO-WCQYABFASA-N 1 2 252.358 1.130 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2oncc2C)C1 ZINC001046739220 694630527 /nfs/dbraw/zinc/63/05/27/694630527.db2.gz KPDBGXRPDIWGMO-CYBMUJFWSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2oncc2C)C1 ZINC001046739220 694630533 /nfs/dbraw/zinc/63/05/33/694630533.db2.gz KPDBGXRPDIWGMO-CYBMUJFWSA-N 1 2 283.759 1.930 20 30 CDEDLO CC#CCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883771426 694630631 /nfs/dbraw/zinc/63/06/31/694630631.db2.gz YWGBMSLLQPCCGS-OAHLLOKOSA-N 1 2 282.347 1.947 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)CC)C[C@@H](C)O2 ZINC001071112243 694636610 /nfs/dbraw/zinc/63/66/10/694636610.db2.gz CBENWOMDWBIIJM-OCCSQVGLSA-N 1 2 286.803 1.841 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CC)C[C@@H](C)O2 ZINC001071112243 694636611 /nfs/dbraw/zinc/63/66/11/694636611.db2.gz CBENWOMDWBIIJM-OCCSQVGLSA-N 1 2 286.803 1.841 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nncc2ccccc21 ZINC001032514185 694650360 /nfs/dbraw/zinc/65/03/60/694650360.db2.gz LCVKAWDAEPVULC-KBPBESRZSA-N 1 2 292.342 1.162 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nncc2ccccc21 ZINC001032514185 694650365 /nfs/dbraw/zinc/65/03/65/694650365.db2.gz LCVKAWDAEPVULC-KBPBESRZSA-N 1 2 292.342 1.162 20 30 CDEDLO C#CC[C@@H](CCOC)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000860661428 694737322 /nfs/dbraw/zinc/73/73/22/694737322.db2.gz FJXUPQYEDJOGGQ-LBPRGKRZSA-N 1 2 286.335 1.884 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]c3ccccc23)C1 ZINC001035431665 694786624 /nfs/dbraw/zinc/78/66/24/694786624.db2.gz PDIHBTYNPDWPER-ZDUSSCGKSA-N 1 2 299.374 1.785 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]c3ccccc23)C1 ZINC001035431665 694786630 /nfs/dbraw/zinc/78/66/30/694786630.db2.gz PDIHBTYNPDWPER-ZDUSSCGKSA-N 1 2 299.374 1.785 20 30 CDEDLO C#CCOc1cccc(-c2noc([C@H]3C[N@H+](C)CCO3)n2)c1 ZINC000842490827 694824379 /nfs/dbraw/zinc/82/43/79/694824379.db2.gz NOUOEHCAUNNNJS-CQSZACIVSA-N 1 2 299.330 1.752 20 30 CDEDLO C#CCOc1cccc(-c2noc([C@H]3C[N@@H+](C)CCO3)n2)c1 ZINC000842490827 694824381 /nfs/dbraw/zinc/82/43/81/694824381.db2.gz NOUOEHCAUNNNJS-CQSZACIVSA-N 1 2 299.330 1.752 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC1(C)C)O2 ZINC001053592303 694842643 /nfs/dbraw/zinc/84/26/43/694842643.db2.gz JUMSTWIRONUKBE-STQMWFEESA-N 1 2 278.396 1.568 20 30 CDEDLO CC(C)(C)CCNC(=O)CO[NH+]=C(N)c1ccccc1 ZINC000178151378 694843496 /nfs/dbraw/zinc/84/34/96/694843496.db2.gz SPLWSGASNFSKQX-UHFFFAOYSA-N 1 2 277.368 1.876 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)cc1F ZINC001018229403 694843549 /nfs/dbraw/zinc/84/35/49/694843549.db2.gz GTUIYSCERNJTCY-BETUJISGSA-N 1 2 290.313 1.887 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)cc1F ZINC001018229403 694843551 /nfs/dbraw/zinc/84/35/51/694843551.db2.gz GTUIYSCERNJTCY-BETUJISGSA-N 1 2 290.313 1.887 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000884076260 694843784 /nfs/dbraw/zinc/84/37/84/694843784.db2.gz WNZDFNGJQXSHQO-UTUOFQBUSA-N 1 2 268.357 1.128 20 30 CDEDLO Nc1ccc2c([nH+]1)CCCC2=NNC(=S)NC1CC1 ZINC000834924621 694845474 /nfs/dbraw/zinc/84/54/74/694845474.db2.gz RKUIYZKZKQPYBW-UHFFFAOYSA-N 1 2 275.381 1.331 20 30 CDEDLO C#Cc1cncc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000806444855 694849495 /nfs/dbraw/zinc/84/94/95/694849495.db2.gz GNVAKAYGRZNVTH-NSHDSACASA-N 1 2 254.293 1.078 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OC(C)C)cn1 ZINC001039088181 694852196 /nfs/dbraw/zinc/85/21/96/694852196.db2.gz AAOGSFRPFNSOFM-CYBMUJFWSA-N 1 2 287.363 1.306 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OC(C)C)cn1 ZINC001039088181 694852197 /nfs/dbraw/zinc/85/21/97/694852197.db2.gz AAOGSFRPFNSOFM-CYBMUJFWSA-N 1 2 287.363 1.306 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccncn2)C1 ZINC001034447940 694854127 /nfs/dbraw/zinc/85/41/27/694854127.db2.gz MCHPLGXUBOSBSK-GFCCVEGCSA-N 1 2 294.786 1.813 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccncn2)C1 ZINC001034447940 694854128 /nfs/dbraw/zinc/85/41/28/694854128.db2.gz MCHPLGXUBOSBSK-GFCCVEGCSA-N 1 2 294.786 1.813 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1O ZINC001038073599 694862763 /nfs/dbraw/zinc/86/27/63/694862763.db2.gz AZDMXVKEMBNXCS-GFCCVEGCSA-N 1 2 258.321 1.220 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1nnn(C)c1C ZINC001027802418 694868741 /nfs/dbraw/zinc/86/87/41/694868741.db2.gz MYLHYQKDYDCQMO-LLVKDONJSA-N 1 2 297.790 1.070 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1nnn(C)c1C ZINC001027802418 694868742 /nfs/dbraw/zinc/86/87/42/694868742.db2.gz MYLHYQKDYDCQMO-LLVKDONJSA-N 1 2 297.790 1.070 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2n[nH]cc2C)C1 ZINC001033077987 694873204 /nfs/dbraw/zinc/87/32/04/694873204.db2.gz INXQVQSWDCNOJW-LLVKDONJSA-N 1 2 282.775 1.617 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2n[nH]cc2C)C1 ZINC001033077987 694873205 /nfs/dbraw/zinc/87/32/05/694873205.db2.gz INXQVQSWDCNOJW-LLVKDONJSA-N 1 2 282.775 1.617 20 30 CDEDLO C#Cc1ccc(C[N@@H+](C)[C@H](C)CS(=O)(=O)CC)cc1 ZINC000809575917 694875529 /nfs/dbraw/zinc/87/55/29/694875529.db2.gz GKKNDVPDIVABDC-CYBMUJFWSA-N 1 2 279.405 1.923 20 30 CDEDLO C#Cc1ccc(C[N@H+](C)[C@H](C)CS(=O)(=O)CC)cc1 ZINC000809575917 694875531 /nfs/dbraw/zinc/87/55/31/694875531.db2.gz GKKNDVPDIVABDC-CYBMUJFWSA-N 1 2 279.405 1.923 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC001010319489 694879845 /nfs/dbraw/zinc/87/98/45/694879845.db2.gz JDSQUBPXVOYMKB-JTQLQIEISA-N 1 2 268.748 1.275 20 30 CDEDLO C#Cc1cncc(C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000806852807 694889525 /nfs/dbraw/zinc/88/95/25/694889525.db2.gz ODWCYGXNLSBBAO-UHFFFAOYSA-N 1 2 280.331 1.690 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC12CC2 ZINC001017657252 694893204 /nfs/dbraw/zinc/89/32/04/694893204.db2.gz BAMQWXYFNLVJPZ-ZNMIVQPWSA-N 1 2 272.392 1.875 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC12CC2 ZINC001017657252 694893205 /nfs/dbraw/zinc/89/32/05/694893205.db2.gz BAMQWXYFNLVJPZ-ZNMIVQPWSA-N 1 2 272.392 1.875 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)Cc2c(C)noc2Cl)C1 ZINC001044050578 694896185 /nfs/dbraw/zinc/89/61/85/694896185.db2.gz REHBJRNNTHXUIC-UHFFFAOYSA-N 1 2 295.770 1.345 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CC(C)(C)C#N ZINC000925602867 694896938 /nfs/dbraw/zinc/89/69/38/694896938.db2.gz XUYWOEHTZWHAIT-ZDUSSCGKSA-N 1 2 296.415 1.288 20 30 CDEDLO C[C@H]([NH2+][C@@H](CO)C[C@@H]1CCCO1)c1cccc(C#N)c1O ZINC000886671994 695046571 /nfs/dbraw/zinc/04/65/71/695046571.db2.gz HLCYWJQQWQOECZ-YUTCNCBUSA-N 1 2 290.363 1.844 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000874706489 695056890 /nfs/dbraw/zinc/05/68/90/695056890.db2.gz QYIXIJZYAREIBN-GOEBONIOSA-N 1 2 298.427 1.442 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000874706489 695056893 /nfs/dbraw/zinc/05/68/93/695056893.db2.gz QYIXIJZYAREIBN-GOEBONIOSA-N 1 2 298.427 1.442 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1coc(C)c1)CO2 ZINC001053788270 695085629 /nfs/dbraw/zinc/08/56/29/695085629.db2.gz PEGNHNIFXVYEJO-AWEZNQCLSA-N 1 2 290.363 1.737 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccn(C)n2)[C@H]1C ZINC000994422175 695105418 /nfs/dbraw/zinc/10/54/18/695105418.db2.gz BQHNEQBGERQVQT-VXGBXAGGSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccn(C)n2)[C@H]1C ZINC000994422175 695105426 /nfs/dbraw/zinc/10/54/26/695105426.db2.gz BQHNEQBGERQVQT-VXGBXAGGSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn(C)c2Cl)C1 ZINC001043099647 695105922 /nfs/dbraw/zinc/10/59/22/695105922.db2.gz NLTPTELROSYSOT-UHFFFAOYSA-N 1 2 282.775 1.406 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1oc(C)nc1C ZINC001032333883 695145345 /nfs/dbraw/zinc/14/53/45/695145345.db2.gz XOSMADGLCJZHJQ-STQMWFEESA-N 1 2 273.336 1.213 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1oc(C)nc1C ZINC001032333883 695145349 /nfs/dbraw/zinc/14/53/49/695145349.db2.gz XOSMADGLCJZHJQ-STQMWFEESA-N 1 2 273.336 1.213 20 30 CDEDLO CCC[NH+]1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000034679284 1158444865 /nfs/dbraw/zinc/44/48/65/1158444865.db2.gz VIWMYFVSKREMJM-UHFFFAOYSA-N 1 2 293.392 1.275 20 30 CDEDLO N#Cc1ncc(NCc2cc[nH+]c(N)c2)cc1[N+](=O)[O-] ZINC001167617457 1159160388 /nfs/dbraw/zinc/16/03/88/1159160388.db2.gz NPKHZSWQGGDSLU-UHFFFAOYSA-N 1 2 270.252 1.451 20 30 CDEDLO Cc1cnc([C@H](C)[NH2+]CCNC(=O)C#CC(C)(C)C)o1 ZINC001126912803 1160760624 /nfs/dbraw/zinc/76/06/24/1160760624.db2.gz WLWXXDHAJLQKIF-LBPRGKRZSA-N 1 2 277.368 1.799 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)C2(F)CCCC2)CC1 ZINC001113050633 1162086456 /nfs/dbraw/zinc/08/64/56/1162086456.db2.gz QWQLPMLQABPQLW-UHFFFAOYSA-N 1 2 284.375 1.616 20 30 CDEDLO N#CC[C@H](C(=O)NCCc1[nH]cc[nH+]1)c1ccccc1 ZINC001617725638 1165606003 /nfs/dbraw/zinc/60/60/03/1165606003.db2.gz USVATLALWWUAHD-ZDUSSCGKSA-N 1 2 268.320 1.766 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1c[nH]nn1 ZINC001575078191 1171106083 /nfs/dbraw/zinc/10/60/83/1171106083.db2.gz HEZWYIHWQNYCSG-NWDGAFQWSA-N 1 2 293.415 1.780 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cn[nH]n1 ZINC001575078191 1171106090 /nfs/dbraw/zinc/10/60/90/1171106090.db2.gz HEZWYIHWQNYCSG-NWDGAFQWSA-N 1 2 293.415 1.780 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1CCc1cccc(OC(F)(F)F)c1 ZINC001580045461 1172333138 /nfs/dbraw/zinc/33/31/38/1172333138.db2.gz UMUQXDHLKZASCR-GFCCVEGCSA-N 1 2 299.296 1.925 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC1C[NH+](Cc2cccc(Cl)n2)C1 ZINC001753398814 1184529865 /nfs/dbraw/zinc/52/98/65/1184529865.db2.gz RKQQSTUWVRSTOZ-JTQLQIEISA-N 1 2 292.770 1.443 20 30 CDEDLO CC(C)c1noc(C[NH2+][C@H](C)CNC(=O)C#CC2CC2)n1 ZINC001752868421 1184942780 /nfs/dbraw/zinc/94/27/80/1184942780.db2.gz AGWTUTCAGZEBAV-LLVKDONJSA-N 1 2 290.367 1.201 20 30 CDEDLO C#CCCCC(=O)N(C)CC[NH2+][C@H](C)c1nc(CC)no1 ZINC001753184279 1185108977 /nfs/dbraw/zinc/10/89/77/1185108977.db2.gz GWKTZKOFXDUPLL-GFCCVEGCSA-N 1 2 292.383 1.545 20 30 CDEDLO Cc1cnc([C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C#CC2CC2)o1 ZINC001754310532 1185570899 /nfs/dbraw/zinc/57/08/99/1185570899.db2.gz IUYAFMNAHSTQSJ-DGCLKSJQSA-N 1 2 289.379 1.894 20 30 CDEDLO Cc1cnc([C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C#CC2CC2)o1 ZINC001754310532 1185570904 /nfs/dbraw/zinc/57/09/04/1185570904.db2.gz IUYAFMNAHSTQSJ-DGCLKSJQSA-N 1 2 289.379 1.894 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)Cc1cc(F)ccc1OC ZINC001754497545 1185644287 /nfs/dbraw/zinc/64/42/87/1185644287.db2.gz NIPNJKZNOFRFAE-AWEZNQCLSA-N 1 2 290.338 1.201 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)Cc1cc(F)ccc1OC ZINC001754497545 1185644292 /nfs/dbraw/zinc/64/42/92/1185644292.db2.gz NIPNJKZNOFRFAE-AWEZNQCLSA-N 1 2 290.338 1.201 20 30 CDEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)C[C@H]1CC=CCC1 ZINC001754970778 1185774610 /nfs/dbraw/zinc/77/46/10/1185774610.db2.gz ZVVAPPDIPDOMDH-JKSUJKDBSA-N 1 2 290.407 1.573 20 30 CDEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)C[C@H]1CC=CCC1 ZINC001754970778 1185774616 /nfs/dbraw/zinc/77/46/16/1185774616.db2.gz ZVVAPPDIPDOMDH-JKSUJKDBSA-N 1 2 290.407 1.573 20 30 CDEDLO C=CCCC(=O)N1CCOC2(C[NH+](CC[C@H](C)F)C2)C1 ZINC001755048605 1185799972 /nfs/dbraw/zinc/79/99/72/1185799972.db2.gz BTZQBHPYDLXNEI-ZDUSSCGKSA-N 1 2 284.375 1.614 20 30 CDEDLO Cc1cccn2cc(CC(=O)NC[C@@H](C)N(C)CC#N)[nH+]c12 ZINC001755318791 1185914359 /nfs/dbraw/zinc/91/43/59/1185914359.db2.gz RXIVQSWMQHERKU-CYBMUJFWSA-N 1 2 299.378 1.145 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2snnc2CC)CC[C@@H]1C ZINC001071662597 723100803 /nfs/dbraw/zinc/10/08/03/723100803.db2.gz DENKIIMIIQNINY-QWRGUYRKSA-N 1 2 292.408 1.316 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2snnc2CC)CC[C@@H]1C ZINC001071662597 723100807 /nfs/dbraw/zinc/10/08/07/723100807.db2.gz DENKIIMIIQNINY-QWRGUYRKSA-N 1 2 292.408 1.316 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C)C2CCOCC2)C1 ZINC001044381649 723101495 /nfs/dbraw/zinc/10/14/95/723101495.db2.gz UJXBANGJMVOYMO-CYBMUJFWSA-N 1 2 280.412 1.768 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cc3c(s2)CCOC3)C1 ZINC001016024076 723110375 /nfs/dbraw/zinc/11/03/75/723110375.db2.gz OFTIJKGCUSCZEM-LBPRGKRZSA-N 1 2 290.388 1.258 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc3c(s2)CCOC3)C1 ZINC001016024076 723110388 /nfs/dbraw/zinc/11/03/88/723110388.db2.gz OFTIJKGCUSCZEM-LBPRGKRZSA-N 1 2 290.388 1.258 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccncc2)C1 ZINC001032864136 723123451 /nfs/dbraw/zinc/12/34/51/723123451.db2.gz JQKXMQZCQZBMSF-CYBMUJFWSA-N 1 2 279.771 1.980 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccncc2)C1 ZINC001032864136 723123457 /nfs/dbraw/zinc/12/34/57/723123457.db2.gz JQKXMQZCQZBMSF-CYBMUJFWSA-N 1 2 279.771 1.980 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cn(C)nc2-c2ccoc2)C1 ZINC001030734186 723207094 /nfs/dbraw/zinc/20/70/94/723207094.db2.gz ZXMLGCVQYGXBGD-UHFFFAOYSA-N 1 2 298.346 1.117 20 30 CDEDLO C=CCN1CC[C@@H](OC(=O)C[C@@H](C)n2cc[nH+]c2)C1=O ZINC000845283719 723265982 /nfs/dbraw/zinc/26/59/82/723265982.db2.gz GOQBAEBVDIRNKX-VXGBXAGGSA-N 1 2 277.324 1.164 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccccc2NC(=O)CC)C1 ZINC001031125399 723280946 /nfs/dbraw/zinc/28/09/46/723280946.db2.gz NAPSULJKOUJQLL-UHFFFAOYSA-N 1 2 299.374 1.472 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC001034108815 723325620 /nfs/dbraw/zinc/32/56/20/723325620.db2.gz GACYWJMZUVCFCX-LLVKDONJSA-N 1 2 282.775 1.747 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC001034108815 723325622 /nfs/dbraw/zinc/32/56/22/723325622.db2.gz GACYWJMZUVCFCX-LLVKDONJSA-N 1 2 282.775 1.747 20 30 CDEDLO C=CC[NH+]1CCC2(CN(C(=O)C(F)C(F)(F)F)C2)CC1 ZINC001050526417 723332189 /nfs/dbraw/zinc/33/21/89/723332189.db2.gz GEOQWMGRRZXPED-SNVBAGLBSA-N 1 2 294.292 1.997 20 30 CDEDLO C=CC[NH+]1CCC2(CN(C(=O)[C@@H](F)C(F)(F)F)C2)CC1 ZINC001050526417 723332203 /nfs/dbraw/zinc/33/22/03/723332203.db2.gz GEOQWMGRRZXPED-SNVBAGLBSA-N 1 2 294.292 1.997 20 30 CDEDLO COC(=O)c1ccc2c(c1)C[N@@H+](CCO[C@H](C)C#N)C2 ZINC000801918855 723257837 /nfs/dbraw/zinc/25/78/37/723257837.db2.gz AOOHUOCSUACUAT-LLVKDONJSA-N 1 2 274.320 1.717 20 30 CDEDLO COC(=O)c1ccc2c(c1)C[N@H+](CCO[C@H](C)C#N)C2 ZINC000801918855 723257839 /nfs/dbraw/zinc/25/78/39/723257839.db2.gz AOOHUOCSUACUAT-LLVKDONJSA-N 1 2 274.320 1.717 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CC3CC3)C[C@@H]21 ZINC001074137152 723375266 /nfs/dbraw/zinc/37/52/66/723375266.db2.gz NFTKEZPMRGUQGG-LSDHHAIUSA-N 1 2 278.396 1.664 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CC3CC3)C[C@@H]21 ZINC001074137152 723375273 /nfs/dbraw/zinc/37/52/73/723375273.db2.gz NFTKEZPMRGUQGG-LSDHHAIUSA-N 1 2 278.396 1.664 20 30 CDEDLO C[C@@H](CO)N(C)[NH+]=Cc1cc(F)c(N(C)C)cc1F ZINC000863122549 723384512 /nfs/dbraw/zinc/38/45/12/723384512.db2.gz IMRRSECHFFSRBL-VIFPVBQESA-N 1 2 271.311 1.677 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)n1cccc1 ZINC001017483348 723405298 /nfs/dbraw/zinc/40/52/98/723405298.db2.gz QMVIMVBAUVYWIT-OAGGEKHMSA-N 1 2 285.391 1.748 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)n1cccc1 ZINC001017483348 723405300 /nfs/dbraw/zinc/40/53/00/723405300.db2.gz QMVIMVBAUVYWIT-OAGGEKHMSA-N 1 2 285.391 1.748 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2n[nH]c(C)c2C)C1 ZINC001046199860 723445701 /nfs/dbraw/zinc/44/57/01/723445701.db2.gz LCGXGZRIGKKDGX-AWEZNQCLSA-N 1 2 296.802 1.973 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2n[nH]c(C)c2C)C1 ZINC001046199860 723445704 /nfs/dbraw/zinc/44/57/04/723445704.db2.gz LCGXGZRIGKKDGX-AWEZNQCLSA-N 1 2 296.802 1.973 20 30 CDEDLO CN(CC#N)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000985752583 723437461 /nfs/dbraw/zinc/43/74/61/723437461.db2.gz WMCXCRKPRIGUIY-UHFFFAOYSA-N 1 2 289.383 1.134 20 30 CDEDLO CC(C)(O)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004426225 723519716 /nfs/dbraw/zinc/51/97/16/723519716.db2.gz PZIHMSAMAWDJQI-CQSZACIVSA-N 1 2 293.411 1.374 20 30 CDEDLO CC(C)(O)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004426225 723519725 /nfs/dbraw/zinc/51/97/25/723519725.db2.gz PZIHMSAMAWDJQI-CQSZACIVSA-N 1 2 293.411 1.374 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C2CCC3(CC3)CC2)C1 ZINC001030689047 723547520 /nfs/dbraw/zinc/54/75/20/723547520.db2.gz YYIYAQWDLOBJIR-UHFFFAOYSA-N 1 2 260.381 1.781 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(OC(C)C)cn1 ZINC001039088185 723562401 /nfs/dbraw/zinc/56/24/01/723562401.db2.gz AAOGSFRPFNSOFM-ZDUSSCGKSA-N 1 2 287.363 1.306 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OC(C)C)cn1 ZINC001039088185 723562410 /nfs/dbraw/zinc/56/24/10/723562410.db2.gz AAOGSFRPFNSOFM-ZDUSSCGKSA-N 1 2 287.363 1.306 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001031206592 723551112 /nfs/dbraw/zinc/55/11/12/723551112.db2.gz SWEIPQWTQQZXFN-UHFFFAOYSA-N 1 2 273.380 1.884 20 30 CDEDLO Cn1cncc1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000877745256 723599302 /nfs/dbraw/zinc/59/93/02/723599302.db2.gz MXQYQANVLZXLRA-UHFFFAOYSA-N 1 2 281.363 1.614 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2ccns2)C1 ZINC001033846291 723602580 /nfs/dbraw/zinc/60/25/80/723602580.db2.gz QKFPLZHTVYQHHR-NSHDSACASA-N 1 2 263.366 1.313 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccns2)C1 ZINC001033846291 723602584 /nfs/dbraw/zinc/60/25/84/723602584.db2.gz QKFPLZHTVYQHHR-NSHDSACASA-N 1 2 263.366 1.313 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)Cc2cc(C3CC3)no2)C1 ZINC001042897257 723609468 /nfs/dbraw/zinc/60/94/68/723609468.db2.gz PNOYZOZETWJRLB-UHFFFAOYSA-N 1 2 287.363 1.260 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CS[C@H](C)C1 ZINC000839829112 723618473 /nfs/dbraw/zinc/61/84/73/723618473.db2.gz GNVRSPODKYMVHK-WOPDTQHZSA-N 1 2 252.383 1.094 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CS[C@H](C)C1 ZINC000839829112 723618474 /nfs/dbraw/zinc/61/84/74/723618474.db2.gz GNVRSPODKYMVHK-WOPDTQHZSA-N 1 2 252.383 1.094 20 30 CDEDLO CC[N@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)CC(N)=O ZINC000878498097 723626622 /nfs/dbraw/zinc/62/66/22/723626622.db2.gz ARZYVIYYRHDXPF-MRXNPFEDSA-N 1 2 287.363 1.234 20 30 CDEDLO CC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)CC(N)=O ZINC000878498097 723626623 /nfs/dbraw/zinc/62/66/23/723626623.db2.gz ARZYVIYYRHDXPF-MRXNPFEDSA-N 1 2 287.363 1.234 20 30 CDEDLO NC(CCO)=[NH+]OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000121363266 723651573 /nfs/dbraw/zinc/65/15/73/723651573.db2.gz BLCSNPNTTPGBBB-UHFFFAOYSA-N 1 2 273.676 1.419 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC23CC3)C1 ZINC001035414717 723654031 /nfs/dbraw/zinc/65/40/31/723654031.db2.gz JEFLTEJMYPNNOE-UONOGXRCSA-N 1 2 278.396 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC23CC3)C1 ZINC001035414717 723654032 /nfs/dbraw/zinc/65/40/32/723654032.db2.gz JEFLTEJMYPNNOE-UONOGXRCSA-N 1 2 278.396 1.570 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2c(F)cccc2c1 ZINC001038524176 723656044 /nfs/dbraw/zinc/65/60/44/723656044.db2.gz WHTKOAZYBIRYMH-AWEZNQCLSA-N 1 2 297.333 1.811 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2c(F)cccc2c1 ZINC001038524176 723656049 /nfs/dbraw/zinc/65/60/49/723656049.db2.gz WHTKOAZYBIRYMH-AWEZNQCLSA-N 1 2 297.333 1.811 20 30 CDEDLO COc1ccc(C[NH+]2CC(O)(C(C)C)C2)cc1C#N ZINC000089678215 723680855 /nfs/dbraw/zinc/68/08/55/723680855.db2.gz RZLOQBKJVOSEIL-UHFFFAOYSA-N 1 2 260.337 1.770 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(F)c(OC)c1 ZINC000884306283 723689653 /nfs/dbraw/zinc/68/96/53/723689653.db2.gz ABOTUSDTVGQTKD-NSHDSACASA-N 1 2 296.298 1.219 20 30 CDEDLO C#CCNC(=O)COc1ccc2c(c1)[nH+]c(C)n2C ZINC000853706538 723066276 /nfs/dbraw/zinc/06/62/76/723066276.db2.gz MDFBTMQJZJEPRT-UHFFFAOYSA-N 1 2 257.293 1.010 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(O)c(F)c2)C1 ZINC000923564994 723068819 /nfs/dbraw/zinc/06/88/19/723068819.db2.gz BJJRQHXXEICLTL-GFCCVEGCSA-N 1 2 276.311 1.359 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(O)c(F)c2)C1 ZINC000923564994 723068825 /nfs/dbraw/zinc/06/88/25/723068825.db2.gz BJJRQHXXEICLTL-GFCCVEGCSA-N 1 2 276.311 1.359 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)noc1CC ZINC001039010769 723070178 /nfs/dbraw/zinc/07/01/78/723070178.db2.gz UHPRJZJIDRWGOE-NSHDSACASA-N 1 2 263.341 1.536 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)noc1CC ZINC001039010769 723070177 /nfs/dbraw/zinc/07/01/77/723070177.db2.gz UHPRJZJIDRWGOE-NSHDSACASA-N 1 2 263.341 1.536 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2sccc2Cl)C1 ZINC001014522648 723122376 /nfs/dbraw/zinc/12/23/76/723122376.db2.gz LXOFZQNVHABJFA-VIFPVBQESA-N 1 2 268.769 1.839 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2sccc2Cl)C1 ZINC001014522648 723122383 /nfs/dbraw/zinc/12/23/83/723122383.db2.gz LXOFZQNVHABJFA-VIFPVBQESA-N 1 2 268.769 1.839 20 30 CDEDLO C#CC[NH+]1CCC(N(C)C(=O)c2cccc3n[nH]cc32)CC1 ZINC001005808764 723140336 /nfs/dbraw/zinc/14/03/36/723140336.db2.gz MICOMFNVTUMPMK-UHFFFAOYSA-N 1 2 296.374 1.733 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC001031200718 723185832 /nfs/dbraw/zinc/18/58/32/723185832.db2.gz VYYAFIVHNUMROW-UHFFFAOYSA-N 1 2 281.359 1.616 20 30 CDEDLO CC(=[NH+]Nc1cnn(C)c1)c1cc([N+](=O)[O-])ccc1N ZINC000814915512 723348550 /nfs/dbraw/zinc/34/85/50/723348550.db2.gz XWJJXCCCUZTQCE-UHFFFAOYSA-N 1 2 274.284 1.747 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2cc3ccccc3c(=O)[nH]2)C1 ZINC001042916298 723350582 /nfs/dbraw/zinc/35/05/82/723350582.db2.gz UMJRZFJEGLICCA-UHFFFAOYSA-N 1 2 297.358 1.883 20 30 CDEDLO CC[N@H+](CCOC)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793486161 723351213 /nfs/dbraw/zinc/35/12/13/723351213.db2.gz KPEREAQOCKUNJH-UHFFFAOYSA-N 1 2 289.379 1.525 20 30 CDEDLO CC[N@@H+](CCOC)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793486161 723351219 /nfs/dbraw/zinc/35/12/19/723351219.db2.gz KPEREAQOCKUNJH-UHFFFAOYSA-N 1 2 289.379 1.525 20 30 CDEDLO CC#CC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000870995843 723385458 /nfs/dbraw/zinc/38/54/58/723385458.db2.gz VTWJYIQSHBPZLH-UHFFFAOYSA-N 1 2 275.377 1.274 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3nn[nH]c32)C1 ZINC001033106809 723433181 /nfs/dbraw/zinc/43/31/81/723433181.db2.gz QOKUVJPPWDYTEE-LBPRGKRZSA-N 1 2 297.362 1.128 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc3nn[nH]c32)C1 ZINC001033106809 723433184 /nfs/dbraw/zinc/43/31/84/723433184.db2.gz QOKUVJPPWDYTEE-LBPRGKRZSA-N 1 2 297.362 1.128 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccc3c(c2)CCO3)C1 ZINC001030763557 723458959 /nfs/dbraw/zinc/45/89/59/723458959.db2.gz FMZXIWLGTQFCDN-UHFFFAOYSA-N 1 2 286.375 1.541 20 30 CDEDLO C#CC[C@@H]1NC(=O)N(Cc2[nH+]cc(C)c(OC)c2C)C1=O ZINC000756626755 723574032 /nfs/dbraw/zinc/57/40/32/723574032.db2.gz XTLXYRUMKUECIF-NSHDSACASA-N 1 2 287.319 1.151 20 30 CDEDLO C#C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000843967203 723579023 /nfs/dbraw/zinc/57/90/23/723579023.db2.gz JTRMCMQKAUCWAA-GDBMZVCRSA-N 1 2 279.343 1.936 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+][C@@H]1COc2ccccc2[C@H]1O ZINC000843118328 723635930 /nfs/dbraw/zinc/63/59/30/723635930.db2.gz YAICTXLXQJHGBV-UXIGCNINSA-N 1 2 271.320 1.514 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1nc(C)sc1C ZINC001038401685 723645520 /nfs/dbraw/zinc/64/55/20/723645520.db2.gz JQUXAWQLLJWGBO-NSHDSACASA-N 1 2 263.366 1.197 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1nc(C)sc1C ZINC001038401685 723645522 /nfs/dbraw/zinc/64/55/22/723645522.db2.gz JQUXAWQLLJWGBO-NSHDSACASA-N 1 2 263.366 1.197 20 30 CDEDLO Cc1[nH+]cc(C=NN[C@@H]2CCOC(C)(C)C2)n1C ZINC000853336178 723689164 /nfs/dbraw/zinc/68/91/64/723689164.db2.gz QRTLQYGLKDJUCV-LLVKDONJSA-N 1 2 250.346 1.610 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccncn2)[C@H]1C ZINC001088930112 912310288 /nfs/dbraw/zinc/31/02/88/912310288.db2.gz JOAQHWAZWCTUTI-MNOVXSKESA-N 1 2 280.759 1.422 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccncn2)[C@H]1C ZINC001088930112 912310305 /nfs/dbraw/zinc/31/03/05/912310305.db2.gz JOAQHWAZWCTUTI-MNOVXSKESA-N 1 2 280.759 1.422 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c1 ZINC001232673256 912376573 /nfs/dbraw/zinc/37/65/73/912376573.db2.gz DBDNCGWGJRDFEY-WCQYABFASA-N 1 2 250.273 1.169 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H](F)[C@H](O)C2)c1 ZINC001232673256 912376591 /nfs/dbraw/zinc/37/65/91/912376591.db2.gz DBDNCGWGJRDFEY-WCQYABFASA-N 1 2 250.273 1.169 20 30 CDEDLO C=CCOCC(=O)N1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC001095219586 912621592 /nfs/dbraw/zinc/62/15/92/912621592.db2.gz WWLKNYQHQRNCLL-UHFFFAOYSA-N 1 2 290.367 1.391 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC[C@H](CC)O2)C1 ZINC001031709697 915005100 /nfs/dbraw/zinc/00/51/00/915005100.db2.gz XURPANUZRVCPSR-QWHCGFSZSA-N 1 2 286.803 1.745 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CCNc1c(C#N)cccc1C#N ZINC001647345631 1168595347 /nfs/dbraw/zinc/59/53/47/1168595347.db2.gz SLIPCQAYJHBXIV-HNNXBMFYSA-N 1 2 284.363 1.953 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CCNc1c(C#N)cccc1C#N ZINC001647345631 1168595359 /nfs/dbraw/zinc/59/53/59/1168595359.db2.gz SLIPCQAYJHBXIV-HNNXBMFYSA-N 1 2 284.363 1.953 20 30 CDEDLO COc1cnc(NCC2([NH+]3CCCC3)COC2)c(C#N)c1 ZINC001168441749 913168232 /nfs/dbraw/zinc/16/82/32/913168232.db2.gz CZFGORAGQAIZHV-UHFFFAOYSA-N 1 2 288.351 1.239 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001030942995 913214461 /nfs/dbraw/zinc/21/44/61/913214461.db2.gz QRMDDJBIRUSCSM-UHFFFAOYSA-N 1 2 295.386 1.500 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001030972740 913312671 /nfs/dbraw/zinc/31/26/71/913312671.db2.gz PFHHCSINWDIZCL-UHFFFAOYSA-N 1 2 283.375 1.705 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1-c1cc(F)cc(C#N)c1 ZINC001175679030 913739069 /nfs/dbraw/zinc/73/90/69/913739069.db2.gz ISMUOWQNWVZGAL-UHFFFAOYSA-N 1 2 274.255 1.642 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNc1cc[nH+]c(C)n1 ZINC001106303951 913836410 /nfs/dbraw/zinc/83/64/10/913836410.db2.gz DOUVCUJYDKEONZ-XHDPSFHLSA-N 1 2 292.383 1.419 20 30 CDEDLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)CNc1ccc(C#N)cn1 ZINC001104225980 894244805 /nfs/dbraw/zinc/24/48/05/894244805.db2.gz HDQQCQKGAMXCQN-NSHDSACASA-N 1 2 298.350 1.083 20 30 CDEDLO COc1nc(N2CCC(n3cc[nH+]c3)CC2)ncc1C#N ZINC001167123559 894648472 /nfs/dbraw/zinc/64/84/72/894648472.db2.gz CAHJSFGUKOYLQT-UHFFFAOYSA-N 1 2 284.323 1.395 20 30 CDEDLO C#Cc1cc(Nc2ccc(S(C)(=O)=O)cc2F)cc[nH+]1 ZINC001176273773 914008974 /nfs/dbraw/zinc/00/89/74/914008974.db2.gz UFWQDHANJJLWFQ-UHFFFAOYSA-N 1 2 290.319 1.771 20 30 CDEDLO CC(C)(C#N)C(=O)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001143399368 896143380 /nfs/dbraw/zinc/14/33/80/896143380.db2.gz NOCUSAUAZPZERL-OAHLLOKOSA-N 1 2 283.375 1.978 20 30 CDEDLO CC(C)(C#N)C(=O)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001143399368 896143385 /nfs/dbraw/zinc/14/33/85/896143385.db2.gz NOCUSAUAZPZERL-OAHLLOKOSA-N 1 2 283.375 1.978 20 30 CDEDLO C=CCn1cc(Nc2ccc(N3CC[C@H](O)C3)[nH+]c2)cn1 ZINC001176546472 914164929 /nfs/dbraw/zinc/16/49/29/914164929.db2.gz VGOIHOQNSNUCAY-AWEZNQCLSA-N 1 2 285.351 1.779 20 30 CDEDLO CCN(CCNc1cc[nH+]c(C)n1)C(=O)c1ccc(C#N)[nH]1 ZINC001106719058 914188962 /nfs/dbraw/zinc/18/89/62/914188962.db2.gz HIKIAWLWNCXQEF-UHFFFAOYSA-N 1 2 298.350 1.559 20 30 CDEDLO N#Cc1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1F ZINC001176836926 914300781 /nfs/dbraw/zinc/30/07/81/914300781.db2.gz SJKNBCSKRYASOV-UHFFFAOYSA-N 1 2 258.256 1.279 20 30 CDEDLO Cc1nc(N[C@H](CNC(=O)[C@H](C)C#N)C(C)C)cc[nH+]1 ZINC001105137311 899931848 /nfs/dbraw/zinc/93/18/48/899931848.db2.gz CXPJZYLNZQTTJM-ZYHUDNBSSA-N 1 2 275.356 1.497 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(N(C)CCC)cc2)C1 ZINC001031481754 914668035 /nfs/dbraw/zinc/66/80/35/914668035.db2.gz DLEGMIQDPZFUBJ-UHFFFAOYSA-N 1 2 299.418 1.970 20 30 CDEDLO Cc1nc(NCc2cccc(C(=O)NCCC#N)c2)cc[nH+]1 ZINC000427609650 904322955 /nfs/dbraw/zinc/32/29/55/904322955.db2.gz PGSGLSWOXFRLPI-UHFFFAOYSA-N 1 2 295.346 1.463 20 30 CDEDLO C=CCc1cc(C)c[nH+]c1NC(CC)(CO)CO ZINC001167969500 904847525 /nfs/dbraw/zinc/84/75/25/904847525.db2.gz GASZPICYTRBVRV-UHFFFAOYSA-N 1 2 250.342 1.664 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2cc(Cl)ccn2)CC1 ZINC001177656858 914861668 /nfs/dbraw/zinc/86/16/68/914861668.db2.gz HTGSZFJAWGXNDZ-UHFFFAOYSA-N 1 2 279.771 1.608 20 30 CDEDLO C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](F)C(F)(F)F ZINC001226356190 905139691 /nfs/dbraw/zinc/13/96/91/905139691.db2.gz RPJDLMPFYKMBJJ-OPRDCNLKSA-N 1 2 280.265 1.537 20 30 CDEDLO C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(F)C(F)(F)F ZINC001226356190 905139685 /nfs/dbraw/zinc/13/96/85/905139685.db2.gz RPJDLMPFYKMBJJ-OPRDCNLKSA-N 1 2 280.265 1.537 20 30 CDEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1CCO[C@@H](C)C1)C(=O)OCC ZINC001168088203 906890721 /nfs/dbraw/zinc/89/07/21/906890721.db2.gz PFDHVDNYQQGPCI-FMCLSXCISA-N 1 2 253.342 1.651 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCCCC[C@H](NCC#N)C1 ZINC001088418390 907137400 /nfs/dbraw/zinc/13/74/00/907137400.db2.gz NYBIYIXAKVYLDY-ZDUSSCGKSA-N 1 2 289.383 1.145 20 30 CDEDLO Cn1ncc(C[NH2+]Cc2cccc(OCC#N)c2)n1 ZINC000389807481 907150840 /nfs/dbraw/zinc/15/08/40/907150840.db2.gz AISOVQRCRXYDFC-UHFFFAOYSA-N 1 2 257.297 1.007 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CCCC2)[C@H](O)C1 ZINC001090005178 921307460 /nfs/dbraw/zinc/30/74/60/921307460.db2.gz BBXWDTLECAFVTL-CHWSQXEVSA-N 1 2 286.803 1.481 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CCCC2)[C@H](O)C1 ZINC001090005178 921307462 /nfs/dbraw/zinc/30/74/62/921307462.db2.gz BBXWDTLECAFVTL-CHWSQXEVSA-N 1 2 286.803 1.481 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2nc3c(s2)CCC3)CC1 ZINC000841386071 907411179 /nfs/dbraw/zinc/41/11/79/907411179.db2.gz JVFVIMDJQGCERM-UHFFFAOYSA-N 1 2 289.404 1.413 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncoc2C)[C@H]1C ZINC001088485911 907453582 /nfs/dbraw/zinc/45/35/82/907453582.db2.gz JBXFFHASOSMNTH-KOLCDFICSA-N 1 2 283.759 1.928 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncoc2C)[C@H]1C ZINC001088485911 907453591 /nfs/dbraw/zinc/45/35/91/907453591.db2.gz JBXFFHASOSMNTH-KOLCDFICSA-N 1 2 283.759 1.928 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2nc(C)no2)C1 ZINC001189269920 921415889 /nfs/dbraw/zinc/41/58/89/921415889.db2.gz MSDMQWHAIHKPOR-WCQYABFASA-N 1 2 292.383 1.938 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2nc(C)no2)C1 ZINC001189269920 921415896 /nfs/dbraw/zinc/41/58/96/921415896.db2.gz MSDMQWHAIHKPOR-WCQYABFASA-N 1 2 292.383 1.938 20 30 CDEDLO CCc1cnc(C[NH2+]CCNC(=O)C#CC(C)(C)C)o1 ZINC001126893583 909596565 /nfs/dbraw/zinc/59/65/65/909596565.db2.gz SZABWYDOMSWDME-UHFFFAOYSA-N 1 2 277.368 1.492 20 30 CDEDLO Cc1noc([C@H](C)[NH2+]CCNC(=O)C#CC(C)(C)C)n1 ZINC001126907296 909683655 /nfs/dbraw/zinc/68/36/55/909683655.db2.gz KHVSNCYEDZPFOR-JTQLQIEISA-N 1 2 278.356 1.194 20 30 CDEDLO Cc1nc(NCCNC(=O)[C@H](C)C#N)c2c([nH+]1)CCCC2 ZINC001093528713 909908739 /nfs/dbraw/zinc/90/87/39/909908739.db2.gz MNTZFHVEDRGTAL-SNVBAGLBSA-N 1 2 287.367 1.352 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000922336608 921538743 /nfs/dbraw/zinc/53/87/43/921538743.db2.gz ACFJUKBDCFCMSN-ZIAGYGMSSA-N 1 2 283.416 1.751 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)NCCNc1nc(C)ccc1C#N ZINC001093776580 910157841 /nfs/dbraw/zinc/15/78/41/910157841.db2.gz JNYSSSIDKPSBEV-UHFFFAOYSA-N 1 2 298.350 1.064 20 30 CDEDLO N#Cc1cccnc1NCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001094855865 911043027 /nfs/dbraw/zinc/04/30/27/911043027.db2.gz HVYAFOSFIDMODX-UHFFFAOYSA-N 1 2 298.350 1.227 20 30 CDEDLO N#Cc1cccnc1NCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001094855865 911043046 /nfs/dbraw/zinc/04/30/46/911043046.db2.gz HVYAFOSFIDMODX-UHFFFAOYSA-N 1 2 298.350 1.227 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCSC)[C@H](O)C1 ZINC001099654993 921655358 /nfs/dbraw/zinc/65/53/58/921655358.db2.gz VIVYCISFONGKKV-WDEREUQCSA-N 1 2 292.832 1.043 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCSC)[C@H](O)C1 ZINC001099654993 921655367 /nfs/dbraw/zinc/65/53/67/921655367.db2.gz VIVYCISFONGKKV-WDEREUQCSA-N 1 2 292.832 1.043 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCSC)[C@@H](O)C1 ZINC001099654992 921655589 /nfs/dbraw/zinc/65/55/89/921655589.db2.gz VIVYCISFONGKKV-QWRGUYRKSA-N 1 2 292.832 1.043 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCSC)[C@@H](O)C1 ZINC001099654992 921655600 /nfs/dbraw/zinc/65/56/00/921655600.db2.gz VIVYCISFONGKKV-QWRGUYRKSA-N 1 2 292.832 1.043 20 30 CDEDLO O=C1C=C2C[N@H+]([C@@H]3CCN4C(=O)CC[C@@H]4C3)CC[C@@H]2S1 ZINC001172173844 911425422 /nfs/dbraw/zinc/42/54/22/911425422.db2.gz UBDRSDIZTVARNG-UPJWGTAASA-N 1 2 292.404 1.414 20 30 CDEDLO O=C1C=C2C[N@@H+]([C@@H]3CCN4C(=O)CC[C@@H]4C3)CC[C@@H]2S1 ZINC001172173844 911425437 /nfs/dbraw/zinc/42/54/37/911425437.db2.gz UBDRSDIZTVARNG-UPJWGTAASA-N 1 2 292.404 1.414 20 30 CDEDLO O=C1C=C2C[N@H+](C3C[C@H]4CC[C@@H](C3)O4)CC[C@H]2S1 ZINC001172225101 911462656 /nfs/dbraw/zinc/46/26/56/911462656.db2.gz RECWNKOAECCDDW-PSEXLTFBSA-N 1 2 265.378 1.971 20 30 CDEDLO O=C1C=C2C[N@@H+](C3C[C@H]4CC[C@@H](C3)O4)CC[C@H]2S1 ZINC001172225101 911462663 /nfs/dbraw/zinc/46/26/63/911462663.db2.gz RECWNKOAECCDDW-PSEXLTFBSA-N 1 2 265.378 1.971 20 30 CDEDLO C#CCN1CC2(C[NH+](Cc3cccc(C)c3C)C2)OCC1=O ZINC001272679563 915324295 /nfs/dbraw/zinc/32/42/95/915324295.db2.gz ZXJRUFTUIRBPPP-UHFFFAOYSA-N 1 2 298.386 1.350 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@@H](C[NH+]1CCOCC1)C(C)(C)C ZINC001179902485 916086401 /nfs/dbraw/zinc/08/64/01/916086401.db2.gz MRIPPSDMWICNDB-NEPJUHHUSA-N 1 2 267.373 1.009 20 30 CDEDLO C=CCOCC(=O)NCC[NH2+]Cc1ncc(C(C)C)o1 ZINC001124773720 936336749 /nfs/dbraw/zinc/33/67/49/936336749.db2.gz VRRMBGUXULVXLL-UHFFFAOYSA-N 1 2 281.356 1.206 20 30 CDEDLO C=CCOCC(=O)NCC[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001124773756 936336797 /nfs/dbraw/zinc/33/67/97/936336797.db2.gz WMFPTFRSKNUXDW-UHFFFAOYSA-N 1 2 295.383 1.381 20 30 CDEDLO Cc1nc(N[C@H](C)CNC(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001097766902 936376324 /nfs/dbraw/zinc/37/63/24/936376324.db2.gz ULHCPBHGCPQKTA-SECBINFHSA-N 1 2 284.323 1.215 20 30 CDEDLO N#C[C@H]1CC[C@H](NC(=O)Cc2cc[nH+]c(N)c2)CC1 ZINC001181264679 916949213 /nfs/dbraw/zinc/94/92/13/916949213.db2.gz MNEDSFMMOOGPDU-UMSPYCQHSA-N 1 2 258.325 1.405 20 30 CDEDLO COc1ccc(C[N@H+]2CCc3nccn3CC2)c(C#N)c1 ZINC001137704326 936392796 /nfs/dbraw/zinc/39/27/96/936392796.db2.gz ACFYYZLTGCKFKJ-UHFFFAOYSA-N 1 2 282.347 1.822 20 30 CDEDLO COc1ccc(C[N@@H+]2CCc3nccn3CC2)c(C#N)c1 ZINC001137704326 936392800 /nfs/dbraw/zinc/39/28/00/936392800.db2.gz ACFYYZLTGCKFKJ-UHFFFAOYSA-N 1 2 282.347 1.822 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1[C@@H]3CCC[C@@H]31)CO2 ZINC001053769959 936420330 /nfs/dbraw/zinc/42/03/30/936420330.db2.gz KTFHSYSKXHJHQK-BYNSBNAKSA-N 1 2 290.407 1.568 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc[nH]1 ZINC001054032855 936427060 /nfs/dbraw/zinc/42/70/60/936427060.db2.gz JXWBOZFKYCQPEZ-MRXNPFEDSA-N 1 2 293.370 1.805 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc[nH]1 ZINC001054032855 936427061 /nfs/dbraw/zinc/42/70/61/936427061.db2.gz JXWBOZFKYCQPEZ-MRXNPFEDSA-N 1 2 293.370 1.805 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H](C)Nc2cc[nH+]c(C)n2)nc1 ZINC001097960807 936470344 /nfs/dbraw/zinc/47/03/44/936470344.db2.gz HKFKIROHNJYKHV-LLVKDONJSA-N 1 2 295.346 1.392 20 30 CDEDLO CC(C)[N@@H+]1CC[C@H]1C(=O)Nc1ccc(O)c(C#N)c1 ZINC001182852120 918198022 /nfs/dbraw/zinc/19/80/22/918198022.db2.gz QIIBRRJKPBQNJB-LBPRGKRZSA-N 1 2 259.309 1.685 20 30 CDEDLO CC(C)[N@H+]1CC[C@H]1C(=O)Nc1ccc(O)c(C#N)c1 ZINC001182852120 918198025 /nfs/dbraw/zinc/19/80/25/918198025.db2.gz QIIBRRJKPBQNJB-LBPRGKRZSA-N 1 2 259.309 1.685 20 30 CDEDLO C[C@H](CC(=O)N1C[C@@H](NCC#N)C(C)(C)C1)n1cc[nH+]c1 ZINC000996362860 918246824 /nfs/dbraw/zinc/24/68/24/918246824.db2.gz IKJAYVISLZPTNI-CHWSQXEVSA-N 1 2 289.383 1.184 20 30 CDEDLO C=CCO[C@H](C)C(=O)NC/C=C/CNc1cc[nH+]c(C)n1 ZINC001107236240 918293668 /nfs/dbraw/zinc/29/36/68/918293668.db2.gz QKBATKCOZDJSCI-BTDICHCPSA-N 1 2 290.367 1.460 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)C(C)(C)C ZINC001032320921 918403898 /nfs/dbraw/zinc/40/38/98/918403898.db2.gz ZMISLBIJSODJJM-RYUDHWBXSA-N 1 2 264.369 1.463 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)C(C)(C)C ZINC001032320921 918403905 /nfs/dbraw/zinc/40/39/05/918403905.db2.gz ZMISLBIJSODJJM-RYUDHWBXSA-N 1 2 264.369 1.463 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(N2CCOCC2)nn1 ZINC001255154403 936503764 /nfs/dbraw/zinc/50/37/64/936503764.db2.gz HNGQZFREOVPBFW-GFCCVEGCSA-N 1 2 275.356 1.095 20 30 CDEDLO N#C[C@@H](NC(=O)CCc1ccc(N)[nH+]c1)c1ccccc1 ZINC001183929600 918774521 /nfs/dbraw/zinc/77/45/21/918774521.db2.gz PYZSPDUTGSKCSS-CQSZACIVSA-N 1 2 280.331 1.977 20 30 CDEDLO C=CC[N@H+]1CC=C(CNC(=O)c2[nH]nc(C)c2C)CC1 ZINC001000536524 936534004 /nfs/dbraw/zinc/53/40/04/936534004.db2.gz RRFWVMHWTBJXCA-UHFFFAOYSA-N 1 2 274.368 1.574 20 30 CDEDLO C=CC[N@@H+]1CC=C(CNC(=O)c2[nH]nc(C)c2C)CC1 ZINC001000536524 936534006 /nfs/dbraw/zinc/53/40/06/936534006.db2.gz RRFWVMHWTBJXCA-UHFFFAOYSA-N 1 2 274.368 1.574 20 30 CDEDLO C#CCCCC(=O)NC[C@@]1(C)C[N@H+](CC#CC)CCO1 ZINC001107902874 919027350 /nfs/dbraw/zinc/02/73/50/919027350.db2.gz NZVIAPBDMUVSOD-INIZCTEOSA-N 1 2 276.380 1.020 20 30 CDEDLO C#CCCCC(=O)NC[C@@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001107902874 919027366 /nfs/dbraw/zinc/02/73/66/919027366.db2.gz NZVIAPBDMUVSOD-INIZCTEOSA-N 1 2 276.380 1.020 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(OC)c1C ZINC001032477340 919191928 /nfs/dbraw/zinc/19/19/28/919191928.db2.gz ISTUDZLLBOYPHJ-KBPBESRZSA-N 1 2 299.374 1.321 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(OC)c1C ZINC001032477340 919191930 /nfs/dbraw/zinc/19/19/30/919191930.db2.gz ISTUDZLLBOYPHJ-KBPBESRZSA-N 1 2 299.374 1.321 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(F)cn1 ZINC001050886616 936566544 /nfs/dbraw/zinc/56/65/44/936566544.db2.gz WLTYKGWZWMFGPN-CYBMUJFWSA-N 1 2 293.342 1.227 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(F)cn1 ZINC001050886616 936566546 /nfs/dbraw/zinc/56/65/46/936566546.db2.gz WLTYKGWZWMFGPN-CYBMUJFWSA-N 1 2 293.342 1.227 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(CC)o1 ZINC001050985101 936567705 /nfs/dbraw/zinc/56/77/05/936567705.db2.gz FGYPHFIECKZZTC-ZDUSSCGKSA-N 1 2 292.379 1.849 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(CC)o1 ZINC001050985101 936567707 /nfs/dbraw/zinc/56/77/07/936567707.db2.gz FGYPHFIECKZZTC-ZDUSSCGKSA-N 1 2 292.379 1.849 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001051103206 936568714 /nfs/dbraw/zinc/56/87/14/936568714.db2.gz PAPZTQBHBADKKK-HLLBOEOZSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001051103206 936568716 /nfs/dbraw/zinc/56/87/16/936568716.db2.gz PAPZTQBHBADKKK-HLLBOEOZSA-N 1 2 292.423 1.960 20 30 CDEDLO C#CCCCCC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000827445122 936592929 /nfs/dbraw/zinc/59/29/29/936592929.db2.gz IJTLKNFBQYBFHQ-UHFFFAOYSA-N 1 2 291.439 1.418 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Cc1cccs1 ZINC001032658728 919690546 /nfs/dbraw/zinc/69/05/46/919690546.db2.gz DPWSRMARDBPYCF-IHRRRGAJSA-N 1 2 288.416 1.845 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Cc1cccs1 ZINC001032658728 919690554 /nfs/dbraw/zinc/69/05/54/919690554.db2.gz DPWSRMARDBPYCF-IHRRRGAJSA-N 1 2 288.416 1.845 20 30 CDEDLO C#CCC1(C(=O)NC[C@@]2(C)C[N@H+](CC=C)CCO2)CCC1 ZINC001107990926 919805144 /nfs/dbraw/zinc/80/51/44/919805144.db2.gz QYHZKQOKLBLVDM-INIZCTEOSA-N 1 2 290.407 1.573 20 30 CDEDLO C#CCC1(C(=O)NC[C@@]2(C)C[N@@H+](CC=C)CCO2)CCC1 ZINC001107990926 919805163 /nfs/dbraw/zinc/80/51/63/919805163.db2.gz QYHZKQOKLBLVDM-INIZCTEOSA-N 1 2 290.407 1.573 20 30 CDEDLO CN(C)c1ccc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)cn1 ZINC001139455039 936622391 /nfs/dbraw/zinc/62/23/91/936622391.db2.gz NVPXDNXEQFMVHM-CYBMUJFWSA-N 1 2 289.404 1.922 20 30 CDEDLO CN(C)c1ccc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)cn1 ZINC001139455039 936622392 /nfs/dbraw/zinc/62/23/92/936622392.db2.gz NVPXDNXEQFMVHM-CYBMUJFWSA-N 1 2 289.404 1.922 20 30 CDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ncc[nH]1 ZINC001272922532 920103581 /nfs/dbraw/zinc/10/35/81/920103581.db2.gz XJVAJWFMIYWFBE-CHWSQXEVSA-N 1 2 274.368 1.551 20 30 CDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ncc[nH]1 ZINC001272922532 920103598 /nfs/dbraw/zinc/10/35/98/920103598.db2.gz XJVAJWFMIYWFBE-CHWSQXEVSA-N 1 2 274.368 1.551 20 30 CDEDLO CN(C)C(=O)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001139651786 936634041 /nfs/dbraw/zinc/63/40/41/936634041.db2.gz USAREECOSUBREW-UHFFFAOYSA-N 1 2 261.300 1.217 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2n(c1)CCCC2 ZINC001032823740 920663253 /nfs/dbraw/zinc/66/32/53/920663253.db2.gz UYPDVLGZNPBVGW-HOTGVXAUSA-N 1 2 283.375 1.356 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2n(c1)CCCC2 ZINC001032823740 920663264 /nfs/dbraw/zinc/66/32/64/920663264.db2.gz UYPDVLGZNPBVGW-HOTGVXAUSA-N 1 2 283.375 1.356 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2snnc2C)CC[C@@H]1C ZINC001071347207 936677253 /nfs/dbraw/zinc/67/72/53/936677253.db2.gz IJZYMFWQLZHTMI-JQWIXIFHSA-N 1 2 292.408 1.453 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2snnc2C)CC[C@@H]1C ZINC001071347207 936677257 /nfs/dbraw/zinc/67/72/57/936677257.db2.gz IJZYMFWQLZHTMI-JQWIXIFHSA-N 1 2 292.408 1.453 20 30 CDEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccncc3)CC2)cn1 ZINC001140543440 936723062 /nfs/dbraw/zinc/72/30/62/936723062.db2.gz OUFHKKQKWHLGQG-UHFFFAOYSA-N 1 2 293.374 1.666 20 30 CDEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(F)F)C[C@H]21 ZINC001074137421 936733819 /nfs/dbraw/zinc/73/38/19/936733819.db2.gz QTOVZLFUFVWHCB-GHMZBOCLSA-N 1 2 274.311 1.129 20 30 CDEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(F)F)C[C@H]21 ZINC001074137421 936733821 /nfs/dbraw/zinc/73/38/21/936733821.db2.gz QTOVZLFUFVWHCB-GHMZBOCLSA-N 1 2 274.311 1.129 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3=CCCC3)C[C@@H]21 ZINC001074211870 936734839 /nfs/dbraw/zinc/73/48/39/936734839.db2.gz GEYGBLNLTRDQLY-JKSUJKDBSA-N 1 2 290.407 1.975 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3=CCCC3)C[C@@H]21 ZINC001074211870 936734841 /nfs/dbraw/zinc/73/48/41/936734841.db2.gz GEYGBLNLTRDQLY-JKSUJKDBSA-N 1 2 290.407 1.975 20 30 CDEDLO N#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001098881113 936767370 /nfs/dbraw/zinc/76/73/70/936767370.db2.gz GZRORYFGYMWTIG-VLXAULBPSA-N 1 2 299.378 1.007 20 30 CDEDLO N#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001098881113 936767372 /nfs/dbraw/zinc/76/73/72/936767372.db2.gz GZRORYFGYMWTIG-VLXAULBPSA-N 1 2 299.378 1.007 20 30 CDEDLO C/C=C(/C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001192120380 922914195 /nfs/dbraw/zinc/91/41/95/922914195.db2.gz WRGXQFMSPOFKPD-LFOCSMSGSA-N 1 2 299.374 1.186 20 30 CDEDLO C/C=C(/C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001192120380 922914206 /nfs/dbraw/zinc/91/42/06/922914206.db2.gz WRGXQFMSPOFKPD-LFOCSMSGSA-N 1 2 299.374 1.186 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(F)ccc2F)C1 ZINC001035398645 922983091 /nfs/dbraw/zinc/98/30/91/922983091.db2.gz MHPLIBDUWLBYAA-LBPRGKRZSA-N 1 2 296.317 1.581 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(F)ccc2F)C1 ZINC001035398645 922983098 /nfs/dbraw/zinc/98/30/98/922983098.db2.gz MHPLIBDUWLBYAA-LBPRGKRZSA-N 1 2 296.317 1.581 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2CC)C1 ZINC001035486600 922989715 /nfs/dbraw/zinc/98/97/15/922989715.db2.gz CHNBXYWDVLRWBV-OAHLLOKOSA-N 1 2 288.391 1.866 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccccc2CC)C1 ZINC001035486600 922989727 /nfs/dbraw/zinc/98/97/27/922989727.db2.gz CHNBXYWDVLRWBV-OAHLLOKOSA-N 1 2 288.391 1.866 20 30 CDEDLO C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)CC2 ZINC001035728653 923036503 /nfs/dbraw/zinc/03/65/03/923036503.db2.gz ORAXHVITBXUYIA-ZIAGYGMSSA-N 1 2 298.390 1.071 20 30 CDEDLO C[C@@]1(CO)CC[N@H+](Cc2ccc(F)cc2C#N)C[C@@H]1O ZINC001141164289 936823845 /nfs/dbraw/zinc/82/38/45/936823845.db2.gz VORUGVHXZZIZDA-GJZGRUSLSA-N 1 2 278.327 1.263 20 30 CDEDLO C[C@@]1(CO)CC[N@@H+](Cc2ccc(F)cc2C#N)C[C@@H]1O ZINC001141164289 936823846 /nfs/dbraw/zinc/82/38/46/936823846.db2.gz VORUGVHXZZIZDA-GJZGRUSLSA-N 1 2 278.327 1.263 20 30 CDEDLO N#C[C@@H]1CN(Cc2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC001141243893 936834582 /nfs/dbraw/zinc/83/45/82/936834582.db2.gz BMFLSINLLLLBKP-OAHLLOKOSA-N 1 2 268.320 1.597 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](CCC)OCC)C1 ZINC001494583885 923829547 /nfs/dbraw/zinc/82/95/47/923829547.db2.gz KJVZTZJAWCYVGG-ZDUSSCGKSA-N 1 2 288.819 1.992 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2c(C)noc2C)C1 ZINC000923591427 923960700 /nfs/dbraw/zinc/96/07/00/923960700.db2.gz AGNGWKHVRJLJPZ-LBPRGKRZSA-N 1 2 261.325 1.119 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2c(C)noc2C)C1 ZINC000923591427 923960714 /nfs/dbraw/zinc/96/07/14/923960714.db2.gz AGNGWKHVRJLJPZ-LBPRGKRZSA-N 1 2 261.325 1.119 20 30 CDEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn2c(n1)COCC2 ZINC001141537035 936894643 /nfs/dbraw/zinc/89/46/43/936894643.db2.gz DBFIJUXBUCDCGT-DEZZGGKRSA-N 1 2 272.352 1.680 20 30 CDEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn2c(n1)COCC2 ZINC001141537035 936894646 /nfs/dbraw/zinc/89/46/46/936894646.db2.gz DBFIJUXBUCDCGT-DEZZGGKRSA-N 1 2 272.352 1.680 20 30 CDEDLO CC(=O)CC(C)=Nc1cncc(-n2cc[nH+]c2C)n1 ZINC001163737006 924121791 /nfs/dbraw/zinc/12/17/91/924121791.db2.gz KPMUHGJBYIKECN-TWGQIWQCSA-N 1 2 257.297 1.875 20 30 CDEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2ccc(C)o2)CC1 ZINC001194733096 924318025 /nfs/dbraw/zinc/31/80/25/924318025.db2.gz OLZKHFURTACUHV-UHFFFAOYSA-N 1 2 290.363 1.386 20 30 CDEDLO COCC#CC[N@H+]1CCCN(C(=O)c2ccc(C)o2)CC1 ZINC001194733096 924318030 /nfs/dbraw/zinc/31/80/30/924318030.db2.gz OLZKHFURTACUHV-UHFFFAOYSA-N 1 2 290.363 1.386 20 30 CDEDLO Cn1c[nH+]cc1-c1cccc(C(=O)N2CCOC[C@H]2C#N)c1 ZINC001194908757 924389805 /nfs/dbraw/zinc/38/98/05/924389805.db2.gz FFUYRLKJOFQSMF-CQSZACIVSA-N 1 2 296.330 1.452 20 30 CDEDLO C=CCCC(=O)N1CCC[N@H+](CC(=O)NCC2CC2)CC1 ZINC001195191197 924488662 /nfs/dbraw/zinc/48/86/62/924488662.db2.gz DFCIXQZOFBKLBE-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO C=CCCC(=O)N1CCC[N@@H+](CC(=O)NCC2CC2)CC1 ZINC001195191197 924488665 /nfs/dbraw/zinc/48/86/65/924488665.db2.gz DFCIXQZOFBKLBE-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc2c1CCNC2=O ZINC000839896068 936928877 /nfs/dbraw/zinc/92/88/77/936928877.db2.gz PKERDLAXTVGDHK-HNNXBMFYSA-N 1 2 297.358 1.009 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc2c1CCNC2=O ZINC000839896068 936928879 /nfs/dbraw/zinc/92/88/79/936928879.db2.gz PKERDLAXTVGDHK-HNNXBMFYSA-N 1 2 297.358 1.009 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC001080655835 924613596 /nfs/dbraw/zinc/61/35/96/924613596.db2.gz DTLXURNMAOPORX-IUODEOHRSA-N 1 2 296.374 1.636 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC001080655835 924613600 /nfs/dbraw/zinc/61/36/00/924613600.db2.gz DTLXURNMAOPORX-IUODEOHRSA-N 1 2 296.374 1.636 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2nonc2C)C1 ZINC001080695921 924623773 /nfs/dbraw/zinc/62/37/73/924623773.db2.gz HQRSCMZHZLNIED-PRHODGIISA-N 1 2 298.774 1.110 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2nonc2C)C1 ZINC001080695921 924623779 /nfs/dbraw/zinc/62/37/79/924623779.db2.gz HQRSCMZHZLNIED-PRHODGIISA-N 1 2 298.774 1.110 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccs2)[C@H](OC)C1 ZINC001081311855 924731290 /nfs/dbraw/zinc/73/12/90/924731290.db2.gz GECXKXQIZSWRIX-VXGBXAGGSA-N 1 2 278.377 1.200 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccs2)[C@H](OC)C1 ZINC001081311855 924731302 /nfs/dbraw/zinc/73/13/02/924731302.db2.gz GECXKXQIZSWRIX-VXGBXAGGSA-N 1 2 278.377 1.200 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cscc2C)[C@H](OC)C1 ZINC001081507242 924759741 /nfs/dbraw/zinc/75/97/41/924759741.db2.gz LDUZNFVAYPXSBZ-CHWSQXEVSA-N 1 2 278.377 1.119 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cscc2C)[C@H](OC)C1 ZINC001081507242 924759749 /nfs/dbraw/zinc/75/97/49/924759749.db2.gz LDUZNFVAYPXSBZ-CHWSQXEVSA-N 1 2 278.377 1.119 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(C3CC3)c2)[C@H](OC)C1 ZINC001081900996 924816572 /nfs/dbraw/zinc/81/65/72/924816572.db2.gz JUFVINXAQLTAKK-HZPDHXFCSA-N 1 2 299.374 1.021 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccnc(C3CC3)c2)[C@H](OC)C1 ZINC001081900996 924816583 /nfs/dbraw/zinc/81/65/83/924816583.db2.gz JUFVINXAQLTAKK-HZPDHXFCSA-N 1 2 299.374 1.021 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+](CC(=O)NCCC)CC1 ZINC001196732173 924974235 /nfs/dbraw/zinc/97/42/35/924974235.db2.gz NJWLZVNMMXXLDB-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCC[N@H+](CC(=O)NCCC)CC1 ZINC001196732173 924974242 /nfs/dbraw/zinc/97/42/42/924974242.db2.gz NJWLZVNMMXXLDB-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cscn1 ZINC001273214942 925178698 /nfs/dbraw/zinc/17/86/98/925178698.db2.gz FAZIQGQOZKHNGV-HNNXBMFYSA-N 1 2 289.404 1.733 20 30 CDEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cscn1 ZINC001273214942 925178701 /nfs/dbraw/zinc/17/87/01/925178701.db2.gz FAZIQGQOZKHNGV-HNNXBMFYSA-N 1 2 289.404 1.733 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)/C(C)=C\C)c1nccn12 ZINC001101622072 936994367 /nfs/dbraw/zinc/99/43/67/936994367.db2.gz KNKVAJYLEKIGEY-QWGHSUKYSA-N 1 2 286.379 1.607 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC2(C[NH+](CC=C)C2)n2ccnc21 ZINC001101614247 936994493 /nfs/dbraw/zinc/99/44/93/936994493.db2.gz QRGVWSRLMCCGKB-CYBMUJFWSA-N 1 2 286.379 1.607 20 30 CDEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)/C(C)=C\C)c1nccn12 ZINC001101621619 936994723 /nfs/dbraw/zinc/99/47/23/936994723.db2.gz BDPGAXPGPYQYPW-MECSIWFOSA-N 1 2 298.390 1.445 20 30 CDEDLO C=CCO[C@H](C)C(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101667621 936998021 /nfs/dbraw/zinc/99/80/21/936998021.db2.gz LEGIBZQJLABOCL-LLVKDONJSA-N 1 2 278.356 1.246 20 30 CDEDLO COc1ccccc1[C@H](CNC(=O)[C@H](C)C#N)[NH2+]CCF ZINC001198616553 925478139 /nfs/dbraw/zinc/47/81/39/925478139.db2.gz ITAREBOEJKKYTB-YPMHNXCESA-N 1 2 293.342 1.571 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1nccn1C ZINC001154620981 925820024 /nfs/dbraw/zinc/82/00/24/925820024.db2.gz YURHNOCVABVRDS-CYBMUJFWSA-N 1 2 292.427 1.959 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccn1C ZINC001154620981 925820038 /nfs/dbraw/zinc/82/00/38/925820038.db2.gz YURHNOCVABVRDS-CYBMUJFWSA-N 1 2 292.427 1.959 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)noc1C ZINC001085478375 926038139 /nfs/dbraw/zinc/03/81/39/926038139.db2.gz VPTYAQPNIAZCEY-CYBMUJFWSA-N 1 2 275.352 1.461 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)noc1C ZINC001085478375 926038147 /nfs/dbraw/zinc/03/81/47/926038147.db2.gz VPTYAQPNIAZCEY-CYBMUJFWSA-N 1 2 275.352 1.461 20 30 CDEDLO N#CCCCN1CC[C@@]2(CC[N@@H+](CC(F)F)C2)C1=O ZINC001273845527 926100149 /nfs/dbraw/zinc/10/01/49/926100149.db2.gz WJWWEQUPPCMQHF-CYBMUJFWSA-N 1 2 271.311 1.480 20 30 CDEDLO N#CCCCN1CC[C@@]2(CC[N@H+](CC(F)F)C2)C1=O ZINC001273845527 926100156 /nfs/dbraw/zinc/10/01/56/926100156.db2.gz WJWWEQUPPCMQHF-CYBMUJFWSA-N 1 2 271.311 1.480 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccncc1C ZINC001085581680 926187472 /nfs/dbraw/zinc/18/74/72/926187472.db2.gz QSBZAIPOMXUBMC-CYBMUJFWSA-N 1 2 257.337 1.170 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccncc1C ZINC001085581680 926187476 /nfs/dbraw/zinc/18/74/76/926187476.db2.gz QSBZAIPOMXUBMC-CYBMUJFWSA-N 1 2 257.337 1.170 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(OC)ns1 ZINC001085602373 926200792 /nfs/dbraw/zinc/20/07/92/926200792.db2.gz YVAPAAAKPZGLBX-NSHDSACASA-N 1 2 295.408 1.874 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(OC)ns1 ZINC001085602373 926200800 /nfs/dbraw/zinc/20/08/00/926200800.db2.gz YVAPAAAKPZGLBX-NSHDSACASA-N 1 2 295.408 1.874 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)nnc1C ZINC001085619010 926215742 /nfs/dbraw/zinc/21/57/42/926215742.db2.gz BZGKWMIKYKXOFJ-AWEZNQCLSA-N 1 2 286.379 1.263 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)nnc1C ZINC001085619010 926215753 /nfs/dbraw/zinc/21/57/53/926215753.db2.gz BZGKWMIKYKXOFJ-AWEZNQCLSA-N 1 2 286.379 1.263 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C2CC2)o1 ZINC001085646686 926247362 /nfs/dbraw/zinc/24/73/62/926247362.db2.gz MJRXSAHAWWFWPR-ZDUSSCGKSA-N 1 2 287.363 1.722 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C2CC2)o1 ZINC001085646686 926247371 /nfs/dbraw/zinc/24/73/71/926247371.db2.gz MJRXSAHAWWFWPR-ZDUSSCGKSA-N 1 2 287.363 1.722 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(C)c1Cl ZINC001085676177 926268203 /nfs/dbraw/zinc/26/82/03/926268203.db2.gz JLCULWVFBHZGGO-NSHDSACASA-N 1 2 294.786 1.243 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn(C)c1Cl ZINC001085676177 926268209 /nfs/dbraw/zinc/26/82/09/926268209.db2.gz JLCULWVFBHZGGO-NSHDSACASA-N 1 2 294.786 1.243 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cncc(OC)c1C ZINC001085672334 926271629 /nfs/dbraw/zinc/27/16/29/926271629.db2.gz VQHGKJPDDLMZSC-CYBMUJFWSA-N 1 2 287.363 1.178 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cncc(OC)c1C ZINC001085672334 926271635 /nfs/dbraw/zinc/27/16/35/926271635.db2.gz VQHGKJPDDLMZSC-CYBMUJFWSA-N 1 2 287.363 1.178 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1n[nH]c2c1CCC2 ZINC001085691487 926291046 /nfs/dbraw/zinc/29/10/46/926291046.db2.gz IADKKZHEMWIVJV-GFCCVEGCSA-N 1 2 286.379 1.068 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1n[nH]c2c1CCC2 ZINC001085691487 926291051 /nfs/dbraw/zinc/29/10/51/926291051.db2.gz IADKKZHEMWIVJV-GFCCVEGCSA-N 1 2 286.379 1.068 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)oc(C)c1C ZINC001085709482 926310161 /nfs/dbraw/zinc/31/01/61/926310161.db2.gz IZVIYBQJWOFSIZ-CQSZACIVSA-N 1 2 274.364 1.984 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)oc(C)c1C ZINC001085709482 926310168 /nfs/dbraw/zinc/31/01/68/926310168.db2.gz IZVIYBQJWOFSIZ-CQSZACIVSA-N 1 2 274.364 1.984 20 30 CDEDLO C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1snnc1CC ZINC001085707004 926312495 /nfs/dbraw/zinc/31/24/95/926312495.db2.gz ANZXUXHPKBPBJA-LLVKDONJSA-N 1 2 292.408 1.270 20 30 CDEDLO C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1snnc1CC ZINC001085707004 926312504 /nfs/dbraw/zinc/31/25/04/926312504.db2.gz ANZXUXHPKBPBJA-LLVKDONJSA-N 1 2 292.408 1.270 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nc(Cl)sc1C ZINC001085715152 926318524 /nfs/dbraw/zinc/31/85/24/926318524.db2.gz DCLLNMRKNZMGMR-SNVBAGLBSA-N 1 2 297.811 1.884 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nc(Cl)sc1C ZINC001085715152 926318531 /nfs/dbraw/zinc/31/85/31/926318531.db2.gz DCLLNMRKNZMGMR-SNVBAGLBSA-N 1 2 297.811 1.884 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C(C)C)cn1 ZINC001085814955 926421848 /nfs/dbraw/zinc/42/18/48/926421848.db2.gz LIHKDMRABKOKID-OAHLLOKOSA-N 1 2 285.391 1.985 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C(C)C)cn1 ZINC001085814955 926421855 /nfs/dbraw/zinc/42/18/55/926421855.db2.gz LIHKDMRABKOKID-OAHLLOKOSA-N 1 2 285.391 1.985 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc(C)c1 ZINC001085879655 926473980 /nfs/dbraw/zinc/47/39/80/926473980.db2.gz APZBLHYRSKXPQY-CQSZACIVSA-N 1 2 257.337 1.170 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc(C)c1 ZINC001085879655 926473984 /nfs/dbraw/zinc/47/39/84/926473984.db2.gz APZBLHYRSKXPQY-CQSZACIVSA-N 1 2 257.337 1.170 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1csc(COC)n1 ZINC001085997324 926583526 /nfs/dbraw/zinc/58/35/26/926583526.db2.gz NWUIPQRFIRPTBS-LLVKDONJSA-N 1 2 293.392 1.069 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1csc(COC)n1 ZINC001085997324 926583537 /nfs/dbraw/zinc/58/35/37/926583537.db2.gz NWUIPQRFIRPTBS-LLVKDONJSA-N 1 2 293.392 1.069 20 30 CDEDLO C=CCO[C@@H](C)C(=O)NC[C@@H](CC)Nc1cc[nH+]c(C)n1 ZINC001103122192 937123411 /nfs/dbraw/zinc/12/34/11/937123411.db2.gz DFFREDIIEDDKMI-WCQYABFASA-N 1 2 292.383 1.683 20 30 CDEDLO C=CCO[C@H](C)C(=O)NC[C@@H](CC)Nc1cc[nH+]c(C)n1 ZINC001103122191 937123563 /nfs/dbraw/zinc/12/35/63/937123563.db2.gz DFFREDIIEDDKMI-DGCLKSJQSA-N 1 2 292.383 1.683 20 30 CDEDLO O=C1C=C2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@@H]2S1 ZINC001169025863 927664128 /nfs/dbraw/zinc/66/41/28/927664128.db2.gz ZKHGIPCUGCYLBK-JLLWLGSASA-N 1 2 282.365 1.706 20 30 CDEDLO O=C1C=C2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@@H]2S1 ZINC001169025863 927664135 /nfs/dbraw/zinc/66/41/35/927664135.db2.gz ZKHGIPCUGCYLBK-JLLWLGSASA-N 1 2 282.365 1.706 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](CN2C[C@H](c3ccccn3)CC2=O)C1 ZINC000853524858 928038829 /nfs/dbraw/zinc/03/88/29/928038829.db2.gz QZUCBRHRWIHCKF-HUUCEWRRSA-N 1 2 298.390 1.981 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](CN2C[C@H](c3ccccn3)CC2=O)C1 ZINC000853524858 928038841 /nfs/dbraw/zinc/03/88/41/928038841.db2.gz QZUCBRHRWIHCKF-HUUCEWRRSA-N 1 2 298.390 1.981 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+](CCOCC=C)CC1 ZINC001112671742 929310927 /nfs/dbraw/zinc/31/09/27/929310927.db2.gz QENRVYNMNJVTQY-OAHLLOKOSA-N 1 2 296.411 1.314 20 30 CDEDLO CC(C)C#CC(=O)N1CC[NH+](CCc2ccns2)CC1 ZINC001112833399 929468571 /nfs/dbraw/zinc/46/85/71/929468571.db2.gz WODRRHNHRSCVPV-UHFFFAOYSA-N 1 2 291.420 1.489 20 30 CDEDLO C#Cc1cncc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000798166454 937348222 /nfs/dbraw/zinc/34/82/22/937348222.db2.gz AKDZSMGMZSSNPX-UHFFFAOYSA-N 1 2 280.331 1.737 20 30 CDEDLO C#CC1(F)CN(c2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000882886466 930093180 /nfs/dbraw/zinc/09/31/80/930093180.db2.gz VTOZOZCZMHFBHO-UHFFFAOYSA-N 1 2 273.315 1.743 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H](C)c1cccs1 ZINC000884084797 930437193 /nfs/dbraw/zinc/43/71/93/930437193.db2.gz AZEKNAIUHCUQQS-MNOVXSKESA-N 1 2 296.392 1.714 20 30 CDEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2COCCOC ZINC001273989360 930472963 /nfs/dbraw/zinc/47/29/63/930472963.db2.gz BZVUWJSGUOKOKO-OAHLLOKOSA-N 1 2 282.384 1.250 20 30 CDEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2COCCOC ZINC001273989360 930472969 /nfs/dbraw/zinc/47/29/69/930472969.db2.gz BZVUWJSGUOKOKO-OAHLLOKOSA-N 1 2 282.384 1.250 20 30 CDEDLO COc1c(F)cc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1F ZINC000819420473 930806150 /nfs/dbraw/zinc/80/61/50/930806150.db2.gz YFSPBSOXWSGXPR-LLVKDONJSA-N 1 2 299.321 1.592 20 30 CDEDLO COc1c(F)cc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1F ZINC000819420473 930806152 /nfs/dbraw/zinc/80/61/52/930806152.db2.gz YFSPBSOXWSGXPR-LLVKDONJSA-N 1 2 299.321 1.592 20 30 CDEDLO Cc1noc(C[N@H+](C)C[C@H](O)CC2(C#N)CCC2)n1 ZINC000886272194 930844960 /nfs/dbraw/zinc/84/49/60/930844960.db2.gz JRLGHKGAMXWIRZ-LLVKDONJSA-N 1 2 264.329 1.255 20 30 CDEDLO Cc1noc(C[N@@H+](C)C[C@H](O)CC2(C#N)CCC2)n1 ZINC000886272194 930844971 /nfs/dbraw/zinc/84/49/71/930844971.db2.gz JRLGHKGAMXWIRZ-LLVKDONJSA-N 1 2 264.329 1.255 20 30 CDEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@@H]1C[C@@]12CCOC2 ZINC000886276990 930847831 /nfs/dbraw/zinc/84/78/31/930847831.db2.gz CLCABAWHOKWXDO-XJKSGUPXSA-N 1 2 279.380 1.690 20 30 CDEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@@H]1C[C@@]12CCOC2 ZINC000886276990 930847834 /nfs/dbraw/zinc/84/78/34/930847834.db2.gz CLCABAWHOKWXDO-XJKSGUPXSA-N 1 2 279.380 1.690 20 30 CDEDLO C=C[C@@H](COC)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001116617787 937460677 /nfs/dbraw/zinc/46/06/77/937460677.db2.gz WWCTUISZMUTLGG-ZDUSSCGKSA-N 1 2 290.367 1.114 20 30 CDEDLO Cc1nn(C)c(C)c1C(=O)/C=C/c1ccc(N)[nH+]c1 ZINC000821039390 930999295 /nfs/dbraw/zinc/99/92/95/930999295.db2.gz QWYSVAAMRVPGRJ-GQCTYLIASA-N 1 2 256.309 1.910 20 30 CDEDLO C#CCC1([NH2+]Cc2noc(C(C)C)n2)CCOCC1 ZINC000887124348 931020271 /nfs/dbraw/zinc/02/02/71/931020271.db2.gz ACRGRMYUNPWTOU-UHFFFAOYSA-N 1 2 263.341 1.855 20 30 CDEDLO CC(C)CNC(=O)[C@@H]1CC12CC[NH+](CCC#N)CC2 ZINC001274032003 931129047 /nfs/dbraw/zinc/12/90/47/931129047.db2.gz DJPSSQBWXGVAGZ-ZDUSSCGKSA-N 1 2 263.385 1.774 20 30 CDEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](CCCCC#N)C[C@@]2(F)C1=O ZINC001274042231 931140826 /nfs/dbraw/zinc/14/08/26/931140826.db2.gz DATDSVQPVAXONW-LSDHHAIUSA-N 1 2 297.349 1.831 20 30 CDEDLO C=C(C)CN1C[C@@]2(F)C[N@@H+](CCCCC#N)C[C@@]2(F)C1=O ZINC001274042231 931140831 /nfs/dbraw/zinc/14/08/31/931140831.db2.gz DATDSVQPVAXONW-LSDHHAIUSA-N 1 2 297.349 1.831 20 30 CDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CC(=O)OC(C)C ZINC001274061026 931151912 /nfs/dbraw/zinc/15/19/12/931151912.db2.gz DZTUSIAXALLDCC-INIZCTEOSA-N 1 2 294.395 1.581 20 30 CDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC(=O)OC(C)C ZINC001274061026 931151918 /nfs/dbraw/zinc/15/19/18/931151918.db2.gz DZTUSIAXALLDCC-INIZCTEOSA-N 1 2 294.395 1.581 20 30 CDEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(O)cn3)CC2)c1 ZINC001144265689 931728796 /nfs/dbraw/zinc/72/87/96/931728796.db2.gz VZFXLUMTGOHJKO-UHFFFAOYSA-N 1 2 295.346 1.376 20 30 CDEDLO C=C[C@H](C)ONC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000845625786 931862255 /nfs/dbraw/zinc/86/22/55/931862255.db2.gz OUDUQMXYZZQFMC-NSHDSACASA-N 1 2 291.355 1.123 20 30 CDEDLO N#Cc1ccc(CNC(=O)c2cccc3[nH+]ccn32)cn1 ZINC001154525788 937553848 /nfs/dbraw/zinc/55/38/48/937553848.db2.gz XNBWBWXTQRQGFU-UHFFFAOYSA-N 1 2 277.287 1.531 20 30 CDEDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1ccc(F)c(C#N)c1 ZINC001275745823 931994555 /nfs/dbraw/zinc/99/45/55/931994555.db2.gz RIZVGIJVDALAIJ-TXEJJXNPSA-N 1 2 259.284 1.226 20 30 CDEDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1ccc(F)c(C#N)c1 ZINC001275745823 931994559 /nfs/dbraw/zinc/99/45/59/931994559.db2.gz RIZVGIJVDALAIJ-TXEJJXNPSA-N 1 2 259.284 1.226 20 30 CDEDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cc(F)ccc1C#N ZINC001275753772 931999786 /nfs/dbraw/zinc/99/97/86/931999786.db2.gz XJNSOUQIGODDTG-TXEJJXNPSA-N 1 2 259.284 1.226 20 30 CDEDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cc(F)ccc1C#N ZINC001275753772 931999789 /nfs/dbraw/zinc/99/97/89/931999789.db2.gz XJNSOUQIGODDTG-TXEJJXNPSA-N 1 2 259.284 1.226 20 30 CDEDLO Cc1nc(N[C@H]2C[C@@H](CNC(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001091337289 932105785 /nfs/dbraw/zinc/10/57/85/932105785.db2.gz WKYACJCHDHKKEG-OKILXGFUSA-N 1 2 286.379 1.751 20 30 CDEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(OC)CC1 ZINC000846975585 932179599 /nfs/dbraw/zinc/17/95/99/932179599.db2.gz JAAQCQIMGVPSKK-UHFFFAOYSA-N 1 2 291.351 1.125 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)NCc1ccc(C#N)c(F)c1 ZINC001412233553 932339081 /nfs/dbraw/zinc/33/90/81/932339081.db2.gz IYWYPKWPGKIVDP-UHFFFAOYSA-N 1 2 272.283 1.290 20 30 CDEDLO COc1ncc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1C#N ZINC001412566532 932505239 /nfs/dbraw/zinc/50/52/39/932505239.db2.gz SCZPFUBQHJZTKN-SECBINFHSA-N 1 2 285.307 1.502 20 30 CDEDLO COc1ncc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1C#N ZINC001412566532 932505245 /nfs/dbraw/zinc/50/52/45/932505245.db2.gz SCZPFUBQHJZTKN-SECBINFHSA-N 1 2 285.307 1.502 20 30 CDEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccns1)C2 ZINC001095486555 932590455 /nfs/dbraw/zinc/59/04/55/932590455.db2.gz FVBVIIFKRLNHST-WOPDTQHZSA-N 1 2 275.377 1.502 20 30 CDEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccns1)C2 ZINC001095486555 932590462 /nfs/dbraw/zinc/59/04/62/932590462.db2.gz FVBVIIFKRLNHST-WOPDTQHZSA-N 1 2 275.377 1.502 20 30 CDEDLO C[C@@H](C#N)c1cccc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC001148623990 932764230 /nfs/dbraw/zinc/76/42/30/932764230.db2.gz JXJZVEJIDQPYOD-SWLSCSKDSA-N 1 2 287.363 1.374 20 30 CDEDLO C[C@@H](C#N)c1cccc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001148623990 932764233 /nfs/dbraw/zinc/76/42/33/932764233.db2.gz JXJZVEJIDQPYOD-SWLSCSKDSA-N 1 2 287.363 1.374 20 30 CDEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1[nH+]cccc1C1CCOCC1 ZINC001171365286 932872427 /nfs/dbraw/zinc/87/24/27/932872427.db2.gz SPASORPQGRYIOK-GWCFXTLKSA-N 1 2 291.351 1.624 20 30 CDEDLO C[C@@H](C#N)C(=O)NCCC[NH2+]CC(F)(F)C(F)F ZINC001155849261 937682185 /nfs/dbraw/zinc/68/21/85/937682185.db2.gz WAGIYJDJVQCFHZ-ZETCQYMHSA-N 1 2 269.242 1.142 20 30 CDEDLO C=CCc1cccc(C[N@H+]2CC[C@H]2C(=O)OC)c1O ZINC001138625207 934600365 /nfs/dbraw/zinc/60/03/65/934600365.db2.gz HKOKCXISRSSPQM-ZDUSSCGKSA-N 1 2 261.321 1.868 20 30 CDEDLO C=CCc1cccc(C[N@@H+]2CC[C@H]2C(=O)OC)c1O ZINC001138625207 934600368 /nfs/dbraw/zinc/60/03/68/934600368.db2.gz HKOKCXISRSSPQM-ZDUSSCGKSA-N 1 2 261.321 1.868 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001015242338 935561596 /nfs/dbraw/zinc/56/15/96/935561596.db2.gz VDIPCDUOZUZWHO-GUTXKFCHSA-N 1 2 298.814 1.889 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001015242338 935561601 /nfs/dbraw/zinc/56/16/01/935561601.db2.gz VDIPCDUOZUZWHO-GUTXKFCHSA-N 1 2 298.814 1.889 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2cnc(CC)s2)C1 ZINC001016389416 935613188 /nfs/dbraw/zinc/61/31/88/935613188.db2.gz XAFXUGKJHLKKMN-NSHDSACASA-N 1 2 277.393 1.533 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cnc(CC)s2)C1 ZINC001016389416 935613191 /nfs/dbraw/zinc/61/31/91/935613191.db2.gz XAFXUGKJHLKKMN-NSHDSACASA-N 1 2 277.393 1.533 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1CC ZINC001017525106 935641908 /nfs/dbraw/zinc/64/19/08/935641908.db2.gz ILURFWNHNVNLSQ-OKILXGFUSA-N 1 2 285.391 1.889 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1CC ZINC001017525106 935641913 /nfs/dbraw/zinc/64/19/13/935641913.db2.gz ILURFWNHNVNLSQ-OKILXGFUSA-N 1 2 285.391 1.889 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)n(C)n1 ZINC001017722946 935647115 /nfs/dbraw/zinc/64/71/15/935647115.db2.gz HUEGPBIIGAGOIZ-PHIMTYICSA-N 1 2 294.786 1.548 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)n(C)n1 ZINC001017722946 935647117 /nfs/dbraw/zinc/64/71/17/935647117.db2.gz HUEGPBIIGAGOIZ-PHIMTYICSA-N 1 2 294.786 1.548 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1csnc1C ZINC001038169196 935736457 /nfs/dbraw/zinc/73/64/57/935736457.db2.gz RUIWLJKPVVUKBQ-LLVKDONJSA-N 1 2 263.366 1.279 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1csnc1C ZINC001038169196 935736459 /nfs/dbraw/zinc/73/64/59/935736459.db2.gz RUIWLJKPVVUKBQ-LLVKDONJSA-N 1 2 263.366 1.279 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001038402563 935743595 /nfs/dbraw/zinc/74/35/95/935743595.db2.gz OBWWRPPSCCLTEH-HUUCEWRRSA-N 1 2 260.381 1.947 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001038402563 935743598 /nfs/dbraw/zinc/74/35/98/935743598.db2.gz OBWWRPPSCCLTEH-HUUCEWRRSA-N 1 2 260.381 1.947 20 30 CDEDLO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+]2C/C=C/Cl)c1 ZINC001038685772 935753638 /nfs/dbraw/zinc/75/36/38/935753638.db2.gz XKJZYTNQTVIDFB-KQIUPUNMSA-N 1 2 289.766 1.620 20 30 CDEDLO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@@H+]2C/C=C/Cl)c1 ZINC001038685772 935753640 /nfs/dbraw/zinc/75/36/40/935753640.db2.gz XKJZYTNQTVIDFB-KQIUPUNMSA-N 1 2 289.766 1.620 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(COC)cc1 ZINC001039006936 935765708 /nfs/dbraw/zinc/76/57/08/935765708.db2.gz DIUINKUAUUOJBN-OAHLLOKOSA-N 1 2 272.348 1.270 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(COC)cc1 ZINC001039006936 935765712 /nfs/dbraw/zinc/76/57/12/935765712.db2.gz DIUINKUAUUOJBN-OAHLLOKOSA-N 1 2 272.348 1.270 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2(c3ccccn3)CC2)C1 ZINC001042719691 935828007 /nfs/dbraw/zinc/82/80/07/935828007.db2.gz SXUMRTMOSHWIOI-UHFFFAOYSA-N 1 2 285.391 1.832 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cncs2)C1 ZINC001043000924 935831669 /nfs/dbraw/zinc/83/16/69/935831669.db2.gz XQUKUZLKYJIEJS-UHFFFAOYSA-N 1 2 251.355 1.014 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(N(C)C)cc2)C1 ZINC001044228884 935854295 /nfs/dbraw/zinc/85/42/95/935854295.db2.gz ZUJGXNRVHWDNMW-UHFFFAOYSA-N 1 2 285.391 1.532 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cccc(F)c2)C1 ZINC001044264417 935856216 /nfs/dbraw/zinc/85/62/16/935856216.db2.gz GXECOTXJEZLHJK-UHFFFAOYSA-N 1 2 262.328 1.697 20 30 CDEDLO C[C@H](C#N)OCCN1CC[NH+](Cc2ccncc2)CC1 ZINC000801935970 936017022 /nfs/dbraw/zinc/01/70/22/936017022.db2.gz HHYZAGRVRUSANV-CQSZACIVSA-N 1 2 274.368 1.128 20 30 CDEDLO C=CCOCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001096994104 936251101 /nfs/dbraw/zinc/25/11/01/936251101.db2.gz YBMOKMHYQHFIMK-HAQNSBGRSA-N 1 2 276.340 1.047 20 30 CDEDLO C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)Nc1ccc(C#N)cn1 ZINC001120712187 937828465 /nfs/dbraw/zinc/82/84/65/937828465.db2.gz JSPPSHQWZZJAHG-LLVKDONJSA-N 1 2 298.350 1.178 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@@H](F)Oc1ccc(Cl)nc1 ZINC001156320197 938351507 /nfs/dbraw/zinc/35/15/07/938351507.db2.gz UENLNRPXTYOSDW-GZMMTYOYSA-N 1 2 270.695 1.164 20 30 CDEDLO CCN(Cc1ccc(C#N)c(OC)c1)C1C[NH+](C)C1 ZINC001238416622 945173200 /nfs/dbraw/zinc/17/32/00/945173200.db2.gz PGJMJUAMIXXGTH-UHFFFAOYSA-N 1 2 259.353 1.703 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2cccc3c(C#N)c[nH]c32)C1 ZINC001157171623 938461896 /nfs/dbraw/zinc/46/18/96/938461896.db2.gz NHKLDBULWNIBIZ-GFCCVEGCSA-N 1 2 298.346 1.100 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)c2cccc3c(C#N)c[nH]c32)C1 ZINC001157171623 938461897 /nfs/dbraw/zinc/46/18/97/938461897.db2.gz NHKLDBULWNIBIZ-GFCCVEGCSA-N 1 2 298.346 1.100 20 30 CDEDLO N#Cc1cc(F)cnc1NCC1([NH+]2CCCC2)COC1 ZINC001157650566 938526677 /nfs/dbraw/zinc/52/66/77/938526677.db2.gz QESOCBJSIHZKFF-UHFFFAOYSA-N 1 2 276.315 1.369 20 30 CDEDLO COC(=O)C1(C#N)CCN(c2[nH+]c(C)ccc2OC)CC1 ZINC001158690268 938650587 /nfs/dbraw/zinc/65/05/87/938650587.db2.gz HAILFKKZYJOFEE-UHFFFAOYSA-N 1 2 289.335 1.682 20 30 CDEDLO CCOC(=O)[C@@H](C#N)Nc1[nH+]ccc2c1ccn2C ZINC001159320764 938720916 /nfs/dbraw/zinc/72/09/16/938720916.db2.gz ZXLQBELXCSXYHQ-SNVBAGLBSA-N 1 2 258.281 1.440 20 30 CDEDLO C#CCOCCOCCNc1cc(C(C)C)[nH+]c(C)n1 ZINC001160668929 938810773 /nfs/dbraw/zinc/81/07/73/938810773.db2.gz JFRRWSJVUOKRAR-UHFFFAOYSA-N 1 2 277.368 1.987 20 30 CDEDLO C=C(C)C[N@H+]1CC=C(CCNC(=O)c2[nH]ncc2F)CC1 ZINC001161148244 938876470 /nfs/dbraw/zinc/87/64/70/938876470.db2.gz HRXZTMPHXHHWGO-UHFFFAOYSA-N 1 2 292.358 1.877 20 30 CDEDLO C=C(C)C[N@@H+]1CC=C(CCNC(=O)c2[nH]ncc2F)CC1 ZINC001161148244 938876471 /nfs/dbraw/zinc/87/64/71/938876471.db2.gz HRXZTMPHXHHWGO-UHFFFAOYSA-N 1 2 292.358 1.877 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(C)cnc2SC)CC1 ZINC001238718867 945231763 /nfs/dbraw/zinc/23/17/63/945231763.db2.gz UCCDONUFSSUDPU-UHFFFAOYSA-N 1 2 275.421 1.863 20 30 CDEDLO C#CCN1CC[NH+](Cc2cc(C)cnc2SC)CC1 ZINC001238718867 945231770 /nfs/dbraw/zinc/23/17/70/945231770.db2.gz UCCDONUFSSUDPU-UHFFFAOYSA-N 1 2 275.421 1.863 20 30 CDEDLO C[Si](C)(C)C#C[NH2+]CCNC(=O)C(F)(F)F ZINC001164243813 939439976 /nfs/dbraw/zinc/43/99/76/939439976.db2.gz HDCXOUHDFKDGJY-UHFFFAOYSA-N 1 2 252.312 1.093 20 30 CDEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCC[C@@H](C(N)=O)C3)c12 ZINC001166934290 939652470 /nfs/dbraw/zinc/65/24/70/939652470.db2.gz FCHDCCOLABBCKX-SECBINFHSA-N 1 2 269.308 1.136 20 30 CDEDLO C[C@@H]1C(=O)N(C)CCN1c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001167037489 939674940 /nfs/dbraw/zinc/67/49/40/939674940.db2.gz JTCDBPSMXSFRPO-SECBINFHSA-N 1 2 269.308 1.101 20 30 CDEDLO C[C@@H]1C[N@H+](C2CN(Cc3cccc(C#N)c3)C2)C[C@H](C)O1 ZINC001203765031 939703457 /nfs/dbraw/zinc/70/34/57/939703457.db2.gz TXXLKZUBAPFHMO-OKILXGFUSA-N 1 2 285.391 1.852 20 30 CDEDLO C[C@@H]1C[N@@H+](C2CN(Cc3cccc(C#N)c3)C2)C[C@H](C)O1 ZINC001203765031 939703459 /nfs/dbraw/zinc/70/34/59/939703459.db2.gz TXXLKZUBAPFHMO-OKILXGFUSA-N 1 2 285.391 1.852 20 30 CDEDLO C[C@@H]1CN(C2C[NH+](Cc3cccc(C#N)c3)C2)C[C@H](C)O1 ZINC001203765031 939703460 /nfs/dbraw/zinc/70/34/60/939703460.db2.gz TXXLKZUBAPFHMO-OKILXGFUSA-N 1 2 285.391 1.852 20 30 CDEDLO Cc1ccc(C(=O)CO[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cc1 ZINC001204831340 939795951 /nfs/dbraw/zinc/79/59/51/939795951.db2.gz GTRGIFPXZWRJQV-RCKFOTBSSA-N 1 2 287.359 1.807 20 30 CDEDLO Cc1ccc(C(=O)CO[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cc1 ZINC001204831340 939795953 /nfs/dbraw/zinc/79/59/53/939795953.db2.gz GTRGIFPXZWRJQV-RCKFOTBSSA-N 1 2 287.359 1.807 20 30 CDEDLO N#Cc1cc(Nc2ccc(N3CC[C@H](O)C3)[nH+]c2)ccn1 ZINC001206607152 940070928 /nfs/dbraw/zinc/07/09/28/940070928.db2.gz MVZDVHPPWZUUIR-AWEZNQCLSA-N 1 2 281.319 1.085 20 30 CDEDLO COC[C@H]1Cn2ccnc2C[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC001207104663 940150310 /nfs/dbraw/zinc/15/03/10/940150310.db2.gz VICJUQWEXUIJGT-CQSZACIVSA-N 1 2 299.378 1.372 20 30 CDEDLO COC[C@H]1Cn2ccnc2C[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC001207104663 940150311 /nfs/dbraw/zinc/15/03/11/940150311.db2.gz VICJUQWEXUIJGT-CQSZACIVSA-N 1 2 299.378 1.372 20 30 CDEDLO COCOCCC[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001209026665 940426510 /nfs/dbraw/zinc/42/65/10/940426510.db2.gz YPRIUUGKEPLDKT-NSHDSACASA-N 1 2 257.355 1.271 20 30 CDEDLO COCOCCC[N@H+]1CCC2SC(=O)C=C2C1 ZINC001209026665 940426511 /nfs/dbraw/zinc/42/65/11/940426511.db2.gz YPRIUUGKEPLDKT-NSHDSACASA-N 1 2 257.355 1.271 20 30 CDEDLO COCOCCC[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001209026665 940426512 /nfs/dbraw/zinc/42/65/12/940426512.db2.gz YPRIUUGKEPLDKT-NSHDSACASA-N 1 2 257.355 1.271 20 30 CDEDLO COCOCCC[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001209026665 940426514 /nfs/dbraw/zinc/42/65/14/940426514.db2.gz YPRIUUGKEPLDKT-NSHDSACASA-N 1 2 257.355 1.271 20 30 CDEDLO Cc1cc(Nc2ccc(N3CC[C@H](O)C3)[nH+]c2)cnc1C#N ZINC001210202719 940671154 /nfs/dbraw/zinc/67/11/54/940671154.db2.gz OCDQEBNDZAJWKW-AWEZNQCLSA-N 1 2 295.346 1.971 20 30 CDEDLO C#Cc1cc(Nc2ccc(F)c(S(C)(=O)=O)c2)cc[nH+]1 ZINC001215345557 940876642 /nfs/dbraw/zinc/87/66/42/940876642.db2.gz XJIKKNFDWPHAIJ-UHFFFAOYSA-N 1 2 290.319 1.771 20 30 CDEDLO C=C1CC[NH2+]C[C@@H]1Oc1[nH]c(=O)nc2cc(F)ccc21 ZINC001218206721 941044270 /nfs/dbraw/zinc/04/42/70/941044270.db2.gz FEDMQBQMVWQQSF-LBPRGKRZSA-N 1 2 275.283 1.771 20 30 CDEDLO CCOC(=O)[C@H](C#C[Si](C)(C)C)Oc1cc(N)cc[nH+]1 ZINC001218357457 941209072 /nfs/dbraw/zinc/20/90/72/941209072.db2.gz YKPJEIVRMYNNIP-LBPRGKRZSA-N 1 2 292.411 1.855 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(CC(C)C)CC(C)C)[C@@H](O)C1 ZINC001221110122 941498336 /nfs/dbraw/zinc/49/83/36/941498336.db2.gz BKSKQRCUIHESKC-CVEARBPZSA-N 1 2 294.439 1.489 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(CC(C)C)CC(C)C)[C@@H](O)C1 ZINC001221110122 941498339 /nfs/dbraw/zinc/49/83/39/941498339.db2.gz BKSKQRCUIHESKC-CVEARBPZSA-N 1 2 294.439 1.489 20 30 CDEDLO C#CC(C#C)OCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001224735418 941787984 /nfs/dbraw/zinc/78/79/84/941787984.db2.gz URUUEPWAEOEVDV-UHFFFAOYSA-N 1 2 292.379 1.191 20 30 CDEDLO Cc1cc(C#N)c(O[C@@H](C)C[NH+]2CCOCC2)nc1C ZINC001225529110 941875195 /nfs/dbraw/zinc/87/51/95/941875195.db2.gz LFLCDMPZEADEKU-LBPRGKRZSA-N 1 2 275.352 1.670 20 30 CDEDLO COc1ccnc(OC2C[NH+](C(C)(C)C)C2)c1C#N ZINC001225565698 941881388 /nfs/dbraw/zinc/88/13/88/941881388.db2.gz FABFVYPGOFNTQO-UHFFFAOYSA-N 1 2 261.325 1.823 20 30 CDEDLO COc1cc(F)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c(F)c1 ZINC001227896077 942242011 /nfs/dbraw/zinc/24/20/11/942242011.db2.gz VYRATQLJARRXGI-QCRWRKDUSA-N 1 2 297.301 1.965 20 30 CDEDLO COc1cc(F)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c(F)c1 ZINC001227896077 942242015 /nfs/dbraw/zinc/24/20/15/942242015.db2.gz VYRATQLJARRXGI-QCRWRKDUSA-N 1 2 297.301 1.965 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncc(Cl)cc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228834091 942381666 /nfs/dbraw/zinc/38/16/66/942381666.db2.gz GLZLLHZRQJDBIO-ZQLNZSQWSA-N 1 2 284.718 1.865 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncc(Cl)cc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228834091 942381673 /nfs/dbraw/zinc/38/16/73/942381673.db2.gz GLZLLHZRQJDBIO-ZQLNZSQWSA-N 1 2 284.718 1.865 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC=CCC1 ZINC001230734413 942687396 /nfs/dbraw/zinc/68/73/96/942687396.db2.gz DIWFSCCBOKRJIG-JKSUJKDBSA-N 1 2 290.407 1.525 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC=CCC1 ZINC001230734413 942687398 /nfs/dbraw/zinc/68/73/98/942687398.db2.gz DIWFSCCBOKRJIG-JKSUJKDBSA-N 1 2 290.407 1.525 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1occc1C ZINC001230763005 942690420 /nfs/dbraw/zinc/69/04/20/942690420.db2.gz SUUCVCZUWXUYRU-CQSZACIVSA-N 1 2 290.363 1.384 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1occc1C ZINC001230763005 942690422 /nfs/dbraw/zinc/69/04/22/942690422.db2.gz SUUCVCZUWXUYRU-CQSZACIVSA-N 1 2 290.363 1.384 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001231123755 942792468 /nfs/dbraw/zinc/79/24/68/942792468.db2.gz WEIIARVDTXFRBG-CQSZACIVSA-N 1 2 293.411 1.106 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001231123755 942792469 /nfs/dbraw/zinc/79/24/69/942792469.db2.gz WEIIARVDTXFRBG-CQSZACIVSA-N 1 2 293.411 1.106 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1nccnc1C ZINC001231170939 942807130 /nfs/dbraw/zinc/80/71/30/942807130.db2.gz WHOIDBLSTKKQCK-AWEZNQCLSA-N 1 2 288.395 1.784 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1nccnc1C ZINC001231170939 942807134 /nfs/dbraw/zinc/80/71/34/942807134.db2.gz WHOIDBLSTKKQCK-AWEZNQCLSA-N 1 2 288.395 1.784 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cnoc1C ZINC001231239361 942829782 /nfs/dbraw/zinc/82/97/82/942829782.db2.gz CHBKUGVLJCUCTD-AWEZNQCLSA-N 1 2 293.367 1.218 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cnoc1C ZINC001231239361 942829786 /nfs/dbraw/zinc/82/97/86/942829786.db2.gz CHBKUGVLJCUCTD-AWEZNQCLSA-N 1 2 293.367 1.218 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](F)C[C@@H](CO)C1 ZINC001231617155 942945104 /nfs/dbraw/zinc/94/51/04/942945104.db2.gz YWVOEEFTUXRLAH-TZMCWYRMSA-N 1 2 278.327 1.719 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@H](F)C[C@@H](CO)C1 ZINC001231617155 942945105 /nfs/dbraw/zinc/94/51/05/942945105.db2.gz YWVOEEFTUXRLAH-TZMCWYRMSA-N 1 2 278.327 1.719 20 30 CDEDLO C[C@H]1C[NH+](C2CN(Cc3[nH]ccc3C#N)C2)C[C@H](C)O1 ZINC001233048292 943475942 /nfs/dbraw/zinc/47/59/42/943475942.db2.gz ANOIXVHMVISTFY-RYUDHWBXSA-N 1 2 274.368 1.180 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2COC[C@H](C1)C2=O ZINC001233084170 943488033 /nfs/dbraw/zinc/48/80/33/943488033.db2.gz PEZYSUJMJPFANF-GASCZTMLSA-N 1 2 270.332 1.514 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H]2COC[C@H](C1)C2=O ZINC001233084170 943488035 /nfs/dbraw/zinc/48/80/35/943488035.db2.gz PEZYSUJMJPFANF-GASCZTMLSA-N 1 2 270.332 1.514 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(F)=C(C)C ZINC001233662699 943630031 /nfs/dbraw/zinc/63/00/31/943630031.db2.gz GPKHUUXDMTZFBB-LBPRGKRZSA-N 1 2 252.333 1.806 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(F)=C(C)C ZINC001233662699 943630034 /nfs/dbraw/zinc/63/00/34/943630034.db2.gz GPKHUUXDMTZFBB-LBPRGKRZSA-N 1 2 252.333 1.806 20 30 CDEDLO CC(C)c1nccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)n1 ZINC001233798120 943660796 /nfs/dbraw/zinc/66/07/96/943660796.db2.gz PPFRZIJMORNDSW-GQTXGERZSA-N 1 2 275.352 1.591 20 30 CDEDLO CC(C)c1nccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)n1 ZINC001233798120 943660799 /nfs/dbraw/zinc/66/07/99/943660799.db2.gz PPFRZIJMORNDSW-GQTXGERZSA-N 1 2 275.352 1.591 20 30 CDEDLO C#CCN(CC#CC)c1nnc([C@@H]2CCCC[N@@H+]2C)n1CC ZINC001263056289 943727494 /nfs/dbraw/zinc/72/74/94/943727494.db2.gz WNERJEHDGWQVEH-HNNXBMFYSA-N 1 2 299.422 1.918 20 30 CDEDLO C#CCN(CC#CC)c1nnc([C@@H]2CCCC[N@H+]2C)n1CC ZINC001263056289 943727498 /nfs/dbraw/zinc/72/74/98/943727498.db2.gz WNERJEHDGWQVEH-HNNXBMFYSA-N 1 2 299.422 1.918 20 30 CDEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@@H+]1C/C=C\Cl ZINC001234130843 943750751 /nfs/dbraw/zinc/75/07/51/943750751.db2.gz NYRGXYPYZKTPHZ-IBSXUBTNSA-N 1 2 268.788 1.931 20 30 CDEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@H+]1C/C=C\Cl ZINC001234130843 943750757 /nfs/dbraw/zinc/75/07/57/943750757.db2.gz NYRGXYPYZKTPHZ-IBSXUBTNSA-N 1 2 268.788 1.931 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(CCOCC)CCC1 ZINC001234355772 943814763 /nfs/dbraw/zinc/81/47/63/943814763.db2.gz ADNQKBVGUXCLTM-HNNXBMFYSA-N 1 2 292.423 1.749 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(CCOCC)CCC1 ZINC001234355772 943814769 /nfs/dbraw/zinc/81/47/69/943814769.db2.gz ADNQKBVGUXCLTM-HNNXBMFYSA-N 1 2 292.423 1.749 20 30 CDEDLO CC(C)[N@@H+]1CCC[C@H]1C(=O)C(C#N)C(=O)NC1CCCC1 ZINC001263314598 943826345 /nfs/dbraw/zinc/82/63/45/943826345.db2.gz WLJWDICRMWZTHZ-KBPBESRZSA-N 1 2 291.395 1.627 20 30 CDEDLO CC(C)[N@H+]1CCC[C@H]1C(=O)C(C#N)C(=O)NC1CCCC1 ZINC001263314598 943826347 /nfs/dbraw/zinc/82/63/47/943826347.db2.gz WLJWDICRMWZTHZ-KBPBESRZSA-N 1 2 291.395 1.627 20 30 CDEDLO CC(C)[N@@H+]1CCC[C@H]1C(=O)[C@H](C#N)C(=O)NC1CCCC1 ZINC001263314598 943826350 /nfs/dbraw/zinc/82/63/50/943826350.db2.gz WLJWDICRMWZTHZ-KBPBESRZSA-N 1 2 291.395 1.627 20 30 CDEDLO CC(C)[N@H+]1CCC[C@H]1C(=O)[C@H](C#N)C(=O)NC1CCCC1 ZINC001263314598 943826355 /nfs/dbraw/zinc/82/63/55/943826355.db2.gz WLJWDICRMWZTHZ-KBPBESRZSA-N 1 2 291.395 1.627 20 30 CDEDLO C#CCN(CC)c1nnc([C@H]2CCC[N@@H+]2C)n1CC1CC1 ZINC001263755264 943959447 /nfs/dbraw/zinc/95/94/47/943959447.db2.gz IIZYSHLXWKGPHV-CQSZACIVSA-N 1 2 287.411 1.914 20 30 CDEDLO C#CCN(CC)c1nnc([C@H]2CCC[N@H+]2C)n1CC1CC1 ZINC001263755264 943959456 /nfs/dbraw/zinc/95/94/56/943959456.db2.gz IIZYSHLXWKGPHV-CQSZACIVSA-N 1 2 287.411 1.914 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnc(OC(C)C)cc2C)CC1 ZINC001235427322 944153143 /nfs/dbraw/zinc/15/31/43/944153143.db2.gz FJAMFBMATBSEEF-UHFFFAOYSA-N 1 2 287.407 1.928 20 30 CDEDLO C#CCN1CC[NH+](Cc2cnc(OC(C)C)cc2C)CC1 ZINC001235427322 944153147 /nfs/dbraw/zinc/15/31/47/944153147.db2.gz FJAMFBMATBSEEF-UHFFFAOYSA-N 1 2 287.407 1.928 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC001235465227 944164295 /nfs/dbraw/zinc/16/42/95/944164295.db2.gz UIURFAMELFIZSS-LLVKDONJSA-N 1 2 280.372 1.843 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)[C@H](C)c1nc(C)no1 ZINC001235465227 944164298 /nfs/dbraw/zinc/16/42/98/944164298.db2.gz UIURFAMELFIZSS-LLVKDONJSA-N 1 2 280.372 1.843 20 30 CDEDLO Cc1[nH+]cn(C)c1CN1CC(Oc2ccccc2C#N)C1 ZINC001235562168 944202268 /nfs/dbraw/zinc/20/22/68/944202268.db2.gz GBEGUXVEXWWUQY-UHFFFAOYSA-N 1 2 282.347 1.863 20 30 CDEDLO CC[N@@H+]1CCc2onc(C(=O)N3CC(CC#N)C3)c2C1 ZINC001278168241 945016040 /nfs/dbraw/zinc/01/60/40/945016040.db2.gz QNENTWXSCBGEJB-UHFFFAOYSA-N 1 2 274.324 1.038 20 30 CDEDLO CC[N@H+]1CCc2onc(C(=O)N3CC(CC#N)C3)c2C1 ZINC001278168241 945016050 /nfs/dbraw/zinc/01/60/50/945016050.db2.gz QNENTWXSCBGEJB-UHFFFAOYSA-N 1 2 274.324 1.038 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnc(F)cc2Cl)CC1 ZINC001238028752 945037222 /nfs/dbraw/zinc/03/72/22/945037222.db2.gz ZBEXZZOMJPXLIB-UHFFFAOYSA-N 1 2 267.735 1.625 20 30 CDEDLO N#C[C@@]1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC12CCCC2 ZINC001362365809 971195895 /nfs/dbraw/zinc/19/58/95/971195895.db2.gz IYKXVPGENSBLHD-MLGOLLRUSA-N 1 2 284.363 1.788 20 30 CDEDLO COC(=O)[C@H]([NH3+])c1ccc(-c2ccc(C#N)cc2N)cc1 ZINC001244091469 947309863 /nfs/dbraw/zinc/30/98/63/947309863.db2.gz WUQCADYNAGNGGA-OAHLLOKOSA-N 1 2 281.315 1.980 20 30 CDEDLO CCn1nnc2c1[C@H](COC)C[N@@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC001254659405 947575164 /nfs/dbraw/zinc/57/51/64/947575164.db2.gz PEUONXBMMAQSNN-RWMBFGLXSA-N 1 2 289.383 1.536 20 30 CDEDLO CCn1nnc2c1[C@H](COC)C[N@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC001254659405 947575170 /nfs/dbraw/zinc/57/51/70/947575170.db2.gz PEUONXBMMAQSNN-RWMBFGLXSA-N 1 2 289.383 1.536 20 30 CDEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(C(=O)c3ccncc3)CC2)C1 ZINC001254674143 947587084 /nfs/dbraw/zinc/58/70/84/947587084.db2.gz UPKDOEZCEBXCLS-UKRRQHHQSA-N 1 2 284.363 1.532 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CC[C@H](Oc2ncc(OC)cn2)C1 ZINC001255177253 947766265 /nfs/dbraw/zinc/76/62/65/947766265.db2.gz OWHPQUAHOIQDHT-NEPJUHHUSA-N 1 2 276.340 1.631 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CC[C@H](Oc2ncc(OC)cn2)C1 ZINC001255177253 947766275 /nfs/dbraw/zinc/76/62/75/947766275.db2.gz OWHPQUAHOIQDHT-NEPJUHHUSA-N 1 2 276.340 1.631 20 30 CDEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1nonc1C)C2 ZINC001248858402 949223965 /nfs/dbraw/zinc/22/39/65/949223965.db2.gz NKBZHIGGMVGNPM-HIFRSBDPSA-N 1 2 293.367 1.704 20 30 CDEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1nonc1C)C2 ZINC001248858402 949223984 /nfs/dbraw/zinc/22/39/84/949223984.db2.gz NKBZHIGGMVGNPM-HIFRSBDPSA-N 1 2 293.367 1.704 20 30 CDEDLO N#C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC001251929916 950965845 /nfs/dbraw/zinc/96/58/45/950965845.db2.gz MTOLNUOTJJREBJ-AAEUAGOBSA-N 1 2 264.300 1.411 20 30 CDEDLO N#C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC001251929916 950965834 /nfs/dbraw/zinc/96/58/34/950965834.db2.gz MTOLNUOTJJREBJ-AAEUAGOBSA-N 1 2 264.300 1.411 20 30 CDEDLO C=CCOC[C@@H](O)C[N@@H+]1CCc2nc(Cl)ccc2C1 ZINC001252469369 951319218 /nfs/dbraw/zinc/31/92/18/951319218.db2.gz ZUDUFWDAXHWGRM-LBPRGKRZSA-N 1 2 282.771 1.657 20 30 CDEDLO C=CCOC[C@@H](O)C[N@H+]1CCc2nc(Cl)ccc2C1 ZINC001252469369 951319229 /nfs/dbraw/zinc/31/92/29/951319229.db2.gz ZUDUFWDAXHWGRM-LBPRGKRZSA-N 1 2 282.771 1.657 20 30 CDEDLO C=CCOC[C@H](O)C[NH2+][C@@H](CC1CCC1)C(=O)OCC ZINC001252490680 951358800 /nfs/dbraw/zinc/35/88/00/951358800.db2.gz BPQGOFJPMRGSOL-KGLIPLIRSA-N 1 2 285.384 1.261 20 30 CDEDLO C#CC[N@H+](CC1CC1)CN1C(=O)N[C@@H](CCCC)C1=O ZINC001253579044 951968245 /nfs/dbraw/zinc/96/82/45/951968245.db2.gz FVCKUZMBSPMUPH-ZDUSSCGKSA-N 1 2 277.368 1.400 20 30 CDEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)N[C@@H](CCCC)C1=O ZINC001253579044 951968253 /nfs/dbraw/zinc/96/82/53/951968253.db2.gz FVCKUZMBSPMUPH-ZDUSSCGKSA-N 1 2 277.368 1.400 20 30 CDEDLO Cn1c[nH+]cc1CCOC(=O)CC#Cc1ccccc1 ZINC001324950731 953652917 /nfs/dbraw/zinc/65/29/17/953652917.db2.gz BGRRTGRNFIRNSG-UHFFFAOYSA-N 1 2 268.316 1.948 20 30 CDEDLO C#CCCCCNC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001325563315 953963586 /nfs/dbraw/zinc/96/35/86/953963586.db2.gz JUBWNKRVUNZYHY-UHFFFAOYSA-N 1 2 287.363 1.234 20 30 CDEDLO CN(CCCNc1nccnc1C#N)c1cccc[nH+]1 ZINC001307194981 954685563 /nfs/dbraw/zinc/68/55/63/954685563.db2.gz ZBVTZNOXMIXVCP-UHFFFAOYSA-N 1 2 268.324 1.682 20 30 CDEDLO CCn1cnc2c1CC[N@H+](C[C@@H](O)c1cccc(C#N)c1)C2 ZINC001364813287 955194505 /nfs/dbraw/zinc/19/45/05/955194505.db2.gz MWRGBKUAWMNPKE-QGZVFWFLSA-N 1 2 296.374 1.866 20 30 CDEDLO CCn1cnc2c1CC[N@@H+](C[C@@H](O)c1cccc(C#N)c1)C2 ZINC001364813287 955194509 /nfs/dbraw/zinc/19/45/09/955194509.db2.gz MWRGBKUAWMNPKE-QGZVFWFLSA-N 1 2 296.374 1.866 20 30 CDEDLO CCn1c[nH+]c2c1CCN(C[C@@H](O)c1cccc(C#N)c1)C2 ZINC001364813287 955194513 /nfs/dbraw/zinc/19/45/13/955194513.db2.gz MWRGBKUAWMNPKE-QGZVFWFLSA-N 1 2 296.374 1.866 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnn(C)c1CC ZINC001492317229 955798713 /nfs/dbraw/zinc/79/87/13/955798713.db2.gz HOVUFSFMXHFWAB-UHFFFAOYSA-N 1 2 284.791 1.397 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnn(C)c1CC ZINC001492317229 955798726 /nfs/dbraw/zinc/79/87/26/955798726.db2.gz HOVUFSFMXHFWAB-UHFFFAOYSA-N 1 2 284.791 1.397 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC001365298811 955853381 /nfs/dbraw/zinc/85/33/81/955853381.db2.gz VKYOWYDTZAELFC-GFCCVEGCSA-N 1 2 273.336 1.921 20 30 CDEDLO CCn1c[nH+]c2c1CCN(Cc1cc(C#N)ccn1)C2 ZINC001308099583 956469919 /nfs/dbraw/zinc/46/99/19/956469919.db2.gz HWYTZGVBONWIPU-UHFFFAOYSA-N 1 2 267.336 1.728 20 30 CDEDLO C=CCN(CC=C)[C@H](C[NH2+]Cc1cn(C)nn1)C(C)C ZINC001308198410 956493648 /nfs/dbraw/zinc/49/36/48/956493648.db2.gz WUNAEEZSTNQWOT-OAHLLOKOSA-N 1 2 277.416 1.603 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H](C)C#N)C1CC1 ZINC001317549527 957544309 /nfs/dbraw/zinc/54/43/09/957544309.db2.gz XUWSDVXXURQATD-SECBINFHSA-N 1 2 255.749 1.479 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H](C)C#N)C1CC1 ZINC001317549527 957544312 /nfs/dbraw/zinc/54/43/12/957544312.db2.gz XUWSDVXXURQATD-SECBINFHSA-N 1 2 255.749 1.479 20 30 CDEDLO C[C@H](C#N)C(=O)NCc1ccc(C[NH2+]Cc2cnon2)cc1 ZINC001367198494 957841406 /nfs/dbraw/zinc/84/14/06/957841406.db2.gz AGQJJNYPHQCKQO-LLVKDONJSA-N 1 2 299.334 1.135 20 30 CDEDLO C=CCn1cnn(C[N@H+](CC)C[C@H]2CCOC2)c1=S ZINC001318755570 958252074 /nfs/dbraw/zinc/25/20/74/958252074.db2.gz VIHVWLQQQASCON-GFCCVEGCSA-N 1 2 282.413 1.916 20 30 CDEDLO C=CCn1cnn(C[N@@H+](CC)C[C@H]2CCOC2)c1=S ZINC001318755570 958252091 /nfs/dbraw/zinc/25/20/91/958252091.db2.gz VIHVWLQQQASCON-GFCCVEGCSA-N 1 2 282.413 1.916 20 30 CDEDLO C#CC[N@H+](CC1CC1)CN1C(=O)CC2(CCCC2)C1=O ZINC001335590497 959913212 /nfs/dbraw/zinc/91/32/12/959913212.db2.gz QPPSNZFBKLCBDC-UHFFFAOYSA-N 1 2 274.364 1.608 20 30 CDEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)CC2(CCCC2)C1=O ZINC001335590497 959913217 /nfs/dbraw/zinc/91/32/17/959913217.db2.gz QPPSNZFBKLCBDC-UHFFFAOYSA-N 1 2 274.364 1.608 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1nc(C)cs1 ZINC001418714260 960939158 /nfs/dbraw/zinc/93/91/58/960939158.db2.gz YIWRXQQRWDFGNP-NSHDSACASA-N 1 2 294.424 1.939 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1nc(C)cs1 ZINC001418714260 960939172 /nfs/dbraw/zinc/93/91/72/960939172.db2.gz YIWRXQQRWDFGNP-NSHDSACASA-N 1 2 294.424 1.939 20 30 CDEDLO C=C(Cl)CN1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001419214848 961513299 /nfs/dbraw/zinc/51/32/99/961513299.db2.gz PBSDBAMHKLKBDR-ZDUSSCGKSA-N 1 2 296.802 1.606 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)C1CC[NH+](Cc2cnns2)CC1 ZINC001436664361 962329520 /nfs/dbraw/zinc/32/95/20/962329520.db2.gz PXIBIRJCTARVJI-JTQLQIEISA-N 1 2 293.396 1.121 20 30 CDEDLO C#CCN(CC)c1nnc(Cc2[nH+]ccn2C)n1CC ZINC001339392826 962341191 /nfs/dbraw/zinc/34/11/91/962341191.db2.gz XXUZOZYWGVGPSY-UHFFFAOYSA-N 1 2 272.356 1.082 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1oncc1C ZINC001420033107 962400432 /nfs/dbraw/zinc/40/04/32/962400432.db2.gz BSUSSYLPVFCYHG-UHFFFAOYSA-N 1 2 271.748 1.739 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1oncc1C ZINC001420033107 962400443 /nfs/dbraw/zinc/40/04/43/962400443.db2.gz BSUSSYLPVFCYHG-UHFFFAOYSA-N 1 2 271.748 1.739 20 30 CDEDLO CCN(CC[NH2+][C@H](C)c1nc(C)no1)C(=O)[C@@H](C)C#N ZINC001420237947 962611984 /nfs/dbraw/zinc/61/19/84/962611984.db2.gz LMZAJZPITBLHMN-VHSXEESVSA-N 1 2 279.344 1.037 20 30 CDEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CC=CCC1 ZINC001340732206 963094801 /nfs/dbraw/zinc/09/48/01/963094801.db2.gz CWPAEMGQTVQYOG-UHFFFAOYSA-N 1 2 284.367 1.555 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CCC)n2CC)CC1 ZINC001342659186 963790592 /nfs/dbraw/zinc/79/05/92/963790592.db2.gz LGQNWERHHRBUJU-UHFFFAOYSA-N 1 2 261.373 1.006 20 30 CDEDLO C#CCN(C)c1nnc(C[NH+]2CCCCC2)n1CC(=C)C ZINC001343935987 964187489 /nfs/dbraw/zinc/18/74/89/964187489.db2.gz MQBGTICTVLIRPM-UHFFFAOYSA-N 1 2 287.411 1.910 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccnnc1C ZINC001440958738 964287810 /nfs/dbraw/zinc/28/78/10/964287810.db2.gz WKJRNXJNIYMMND-SNVBAGLBSA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccnnc1C ZINC001440958738 964287821 /nfs/dbraw/zinc/28/78/21/964287821.db2.gz WKJRNXJNIYMMND-SNVBAGLBSA-N 1 2 282.775 1.588 20 30 CDEDLO C[C@@H](CC(=O)[C@@H](C#N)c1ccncn1)n1cc[nH+]c1 ZINC001347230159 965429409 /nfs/dbraw/zinc/42/94/09/965429409.db2.gz DUCHGIHJOABVPB-QWRGUYRKSA-N 1 2 255.281 1.501 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001351995201 967049718 /nfs/dbraw/zinc/04/97/18/967049718.db2.gz PJPNUUMPTKWLON-GJZGRUSLSA-N 1 2 296.459 1.666 20 30 CDEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001100267462 967825708 /nfs/dbraw/zinc/82/57/08/967825708.db2.gz OBSHKNUZITVDJJ-VXGBXAGGSA-N 1 2 276.384 1.796 20 30 CDEDLO N#CC[C@@H](O)C[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC001354625104 968813146 /nfs/dbraw/zinc/81/31/46/968813146.db2.gz BUFAIDNOOBETAG-SECBINFHSA-N 1 2 264.247 1.104 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCC(c3c[nH+]cn3C)CC2)nc1 ZINC001529279349 969021491 /nfs/dbraw/zinc/02/14/91/969021491.db2.gz CURHIKGJRNYRRT-UHFFFAOYSA-N 1 2 294.358 1.816 20 30 CDEDLO C=C[C@](C)(O)C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001358484156 969745750 /nfs/dbraw/zinc/74/57/50/969745750.db2.gz KQIFJXWLARTKSX-HIFRSBDPSA-N 1 2 294.782 1.750 20 30 CDEDLO C#CCOCCN(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001521017774 970257091 /nfs/dbraw/zinc/25/70/91/970257091.db2.gz GYYDHPURNTXMJX-UHFFFAOYSA-N 1 2 285.347 1.293 20 30 CDEDLO N#CCCN(CCC#N)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001361891074 970649563 /nfs/dbraw/zinc/64/95/63/970649563.db2.gz SPEKXNDMJDVWAA-LBPRGKRZSA-N 1 2 271.324 1.101 20 30 CDEDLO Cc1nc(C[NH+]2CC(CNC(=O)[C@@H](C)C#N)C2)sc1C ZINC001404881027 975524325 /nfs/dbraw/zinc/52/43/25/975524325.db2.gz ZVWFQIYLJLBMDV-VIFPVBQESA-N 1 2 292.408 1.468 20 30 CDEDLO N#CCSCC(=O)OCCc1cn2c([nH+]1)CCCC2 ZINC001515200980 976407701 /nfs/dbraw/zinc/40/77/01/976407701.db2.gz VYLZURFINCIPGU-UHFFFAOYSA-N 1 2 279.365 1.562 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccc(=O)n(C)c1 ZINC001390942200 976613294 /nfs/dbraw/zinc/61/32/94/976613294.db2.gz LTKWUBHTZALJCF-UHFFFAOYSA-N 1 2 297.786 1.190 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccc(=O)n(C)c1 ZINC001390942200 976613297 /nfs/dbraw/zinc/61/32/97/976613297.db2.gz LTKWUBHTZALJCF-UHFFFAOYSA-N 1 2 297.786 1.190 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCCn1cccn1 ZINC001381632704 976959786 /nfs/dbraw/zinc/95/97/86/976959786.db2.gz RHJDDEJMEDTUSO-ZDUSSCGKSA-N 1 2 298.818 1.852 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCCn1cccn1 ZINC001381632704 976959790 /nfs/dbraw/zinc/95/97/90/976959790.db2.gz RHJDDEJMEDTUSO-ZDUSSCGKSA-N 1 2 298.818 1.852 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccc2nc[nH]c2n1 ZINC001403587204 977085838 /nfs/dbraw/zinc/08/58/38/977085838.db2.gz KKLMUYCJVOCAJV-UHFFFAOYSA-N 1 2 293.758 1.372 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccc2nc[nH]c2n1 ZINC001403587204 977085842 /nfs/dbraw/zinc/08/58/42/977085842.db2.gz KKLMUYCJVOCAJV-UHFFFAOYSA-N 1 2 293.758 1.372 20 30 CDEDLO Cc1nonc1C[NH+]1CCC(C)(NC(=O)[C@H](C)C#N)CC1 ZINC001393056305 977687397 /nfs/dbraw/zinc/68/73/97/977687397.db2.gz DMVGTWNFSHVJRK-SNVBAGLBSA-N 1 2 291.355 1.008 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1ncccn1 ZINC001132569536 1163378669 /nfs/dbraw/zinc/37/86/69/1163378669.db2.gz UEWWBDXVBVAYKC-RYUDHWBXSA-N 1 2 262.357 1.141 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001133145410 1163588672 /nfs/dbraw/zinc/58/86/72/1163588672.db2.gz XYPJUHKLONNAQU-JTQLQIEISA-N 1 2 266.345 1.501 20 30 CDEDLO C=C(C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1c[nH]nn1 ZINC001575049294 1171095491 /nfs/dbraw/zinc/09/54/91/1171095491.db2.gz JWOLVEBGKWBBLJ-JSGCOSHPSA-N 1 2 291.399 1.536 20 30 CDEDLO C=C(C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cn[nH]n1 ZINC001575049294 1171095501 /nfs/dbraw/zinc/09/55/01/1171095501.db2.gz JWOLVEBGKWBBLJ-JSGCOSHPSA-N 1 2 291.399 1.536 20 30 CDEDLO Cc1cccn2cc(CCNC(=O)CCCC#N)[nH+]c12 ZINC000589706895 342512708 /nfs/dbraw/zinc/51/27/08/342512708.db2.gz DGOLJVPTBLVGTA-UHFFFAOYSA-N 1 2 270.336 1.995 20 30 CDEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCCn1cc[nH+]c1 ZINC000618630570 349496891 /nfs/dbraw/zinc/49/68/91/349496891.db2.gz BWAJGHLOKYQFKH-HNNXBMFYSA-N 1 2 295.346 1.741 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000611537614 346815678 /nfs/dbraw/zinc/81/56/78/346815678.db2.gz CIZJZTTVZIZFPL-IUODEOHRSA-N 1 2 282.347 1.945 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000121514381 365524608 /nfs/dbraw/zinc/52/46/08/365524608.db2.gz OERQWEXBNUAVCV-UHFFFAOYSA-N 1 2 288.347 1.906 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCCC2(C1)OCCO2 ZINC000121514381 365524612 /nfs/dbraw/zinc/52/46/12/365524612.db2.gz OERQWEXBNUAVCV-UHFFFAOYSA-N 1 2 288.347 1.906 20 30 CDEDLO N#Cc1ccc(C2=CC[N@H+]([C@@H]3CC(=O)NC3=O)CC2)cc1 ZINC000565157387 365598365 /nfs/dbraw/zinc/59/83/65/365598365.db2.gz OLYGHXHTQZPSAP-CQSZACIVSA-N 1 2 281.315 1.062 20 30 CDEDLO N#Cc1ccc(C2=CC[N@@H+]([C@@H]3CC(=O)NC3=O)CC2)cc1 ZINC000565157387 365598367 /nfs/dbraw/zinc/59/83/67/365598367.db2.gz OLYGHXHTQZPSAP-CQSZACIVSA-N 1 2 281.315 1.062 20 30 CDEDLO CN(CC[NH+]1CCOCC1)c1nc(C#N)c(Cl)s1 ZINC000590575500 342577202 /nfs/dbraw/zinc/57/72/02/342577202.db2.gz IIGLOBJHCMTKKC-UHFFFAOYSA-N 1 2 286.788 1.437 20 30 CDEDLO Cn1cc[nH+]c1CNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000124796030 187154631 /nfs/dbraw/zinc/15/46/31/187154631.db2.gz KCFIVMJRSZMMIW-UHFFFAOYSA-N 1 2 257.253 1.812 20 30 CDEDLO C=C(C)[C@H](CC(=O)N(C)Cc1c[nH+]c[nH]1)OCC ZINC000616926701 342573864 /nfs/dbraw/zinc/57/38/64/342573864.db2.gz MOAYUUYPHQYBMD-LBPRGKRZSA-N 1 2 251.330 1.739 20 30 CDEDLO C=C(C)[C@H](CC(=O)N(C)Cc1c[nH]c[nH+]1)OCC ZINC000616926701 342573865 /nfs/dbraw/zinc/57/38/65/342573865.db2.gz MOAYUUYPHQYBMD-LBPRGKRZSA-N 1 2 251.330 1.739 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927194 342574558 /nfs/dbraw/zinc/57/45/58/342574558.db2.gz CPMNXEIABLEOHE-ZDUSSCGKSA-N 1 2 251.330 1.597 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927194 342574559 /nfs/dbraw/zinc/57/45/59/342574559.db2.gz CPMNXEIABLEOHE-ZDUSSCGKSA-N 1 2 251.330 1.597 20 30 CDEDLO CCOC(=O)[C@H]1CSCC[N@@H+]1CCCCC#N ZINC000608832244 342053955 /nfs/dbraw/zinc/05/39/55/342053955.db2.gz IMPBOPLCNKXXHA-LLVKDONJSA-N 1 2 256.371 1.661 20 30 CDEDLO CCOC(=O)[C@H]1CSCC[N@H+]1CCCCC#N ZINC000608832244 342053956 /nfs/dbraw/zinc/05/39/56/342053956.db2.gz IMPBOPLCNKXXHA-LLVKDONJSA-N 1 2 256.371 1.661 20 30 CDEDLO CC(C)(C#N)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000042127657 342054672 /nfs/dbraw/zinc/05/46/72/342054672.db2.gz TUPDWQDYYIZCIN-UHFFFAOYSA-N 1 2 261.325 1.474 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)nc1 ZINC000609345825 342103590 /nfs/dbraw/zinc/10/35/90/342103590.db2.gz ODNFUVKLTQYOKB-ZDUSSCGKSA-N 1 2 281.319 1.627 20 30 CDEDLO N#CC1(CNc2cc(-n3cc[nH+]c3)ncn2)CCC1 ZINC000591371687 342629047 /nfs/dbraw/zinc/62/90/47/342629047.db2.gz DNLRYBCIURAGCT-UHFFFAOYSA-N 1 2 254.297 1.768 20 30 CDEDLO N#CCCC[NH+]1CCN(CCOc2ccccc2)CC1 ZINC000053096419 342145479 /nfs/dbraw/zinc/14/54/79/342145479.db2.gz IIZZNBPYRHODCA-UHFFFAOYSA-N 1 2 273.380 1.987 20 30 CDEDLO CC[C@@H]1CN(c2cc(C)[nH+]cc2C#N)C[C@@H](C)[S@@]1=O ZINC000591825075 342647803 /nfs/dbraw/zinc/64/78/03/342647803.db2.gz DAUARMAZDHMQEA-MVBJNABHSA-N 1 2 277.393 1.998 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2cccc(F)c2)C1 ZINC000592147101 342673586 /nfs/dbraw/zinc/67/35/86/342673586.db2.gz INCBTNZAOXEDJY-AWEZNQCLSA-N 1 2 277.299 1.115 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2cccc(F)c2)C1 ZINC000592147101 342673587 /nfs/dbraw/zinc/67/35/87/342673587.db2.gz INCBTNZAOXEDJY-AWEZNQCLSA-N 1 2 277.299 1.115 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC2(CCC2)O1 ZINC000592186964 342680194 /nfs/dbraw/zinc/68/01/94/342680194.db2.gz GUCPYZSOUFKYMH-SWLSCSKDSA-N 1 2 291.395 1.438 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC2(CCC2)O1 ZINC000592186964 342680195 /nfs/dbraw/zinc/68/01/95/342680195.db2.gz GUCPYZSOUFKYMH-SWLSCSKDSA-N 1 2 291.395 1.438 20 30 CDEDLO CC[C@H]1COC(C)(C)C[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000593058006 342760471 /nfs/dbraw/zinc/76/04/71/342760471.db2.gz ZSFLMRAEBJOSEC-BBRMVZONSA-N 1 2 293.411 1.684 20 30 CDEDLO CC[C@H]1COC(C)(C)C[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000593058006 342760472 /nfs/dbraw/zinc/76/04/72/342760472.db2.gz ZSFLMRAEBJOSEC-BBRMVZONSA-N 1 2 293.411 1.684 20 30 CDEDLO CN(C)C(=O)C(C)(C)[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000573451735 361880234 /nfs/dbraw/zinc/88/02/34/361880234.db2.gz FPZZEXRCUUYGDG-UHFFFAOYSA-N 1 2 290.323 1.423 20 30 CDEDLO CSC[C@](C)(C#N)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000593160515 342771814 /nfs/dbraw/zinc/77/18/14/342771814.db2.gz VWMQZZAZBKTDET-PWSUYJOCSA-N 1 2 266.370 1.596 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1coc(C2CC2)n1 ZINC000593155008 342774501 /nfs/dbraw/zinc/77/45/01/342774501.db2.gz XSXREAGEYRVFPY-ZDUSSCGKSA-N 1 2 262.313 1.126 20 30 CDEDLO Cn1c[nH+]c2c1CCN(Cc1ccc(C#N)cn1)C2 ZINC000593957459 342857373 /nfs/dbraw/zinc/85/73/73/342857373.db2.gz AJHKJJNCPKNCNI-UHFFFAOYSA-N 1 2 253.309 1.245 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)nc1 ZINC000593962188 342857927 /nfs/dbraw/zinc/85/79/27/342857927.db2.gz QCZBQCGFPFZEEL-GJZGRUSLSA-N 1 2 273.336 1.333 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)nc1 ZINC000593962188 342857928 /nfs/dbraw/zinc/85/79/28/342857928.db2.gz QCZBQCGFPFZEEL-GJZGRUSLSA-N 1 2 273.336 1.333 20 30 CDEDLO C=CCCn1cc(C[NH+]2CCC(C)(C#N)CC2)nn1 ZINC000593972215 342859161 /nfs/dbraw/zinc/85/91/61/342859161.db2.gz MWTMSQGZTKTPHJ-UHFFFAOYSA-N 1 2 259.357 1.980 20 30 CDEDLO O=C(CCc1c[nH+]c[nH]1)NCC#Cc1cccc(F)c1 ZINC000338241165 539066608 /nfs/dbraw/zinc/06/66/08/539066608.db2.gz LMNPGXPKJGRZNT-UHFFFAOYSA-N 1 2 271.295 1.649 20 30 CDEDLO O=C(CCc1c[nH]c[nH+]1)NCC#Cc1cccc(F)c1 ZINC000338241165 539066609 /nfs/dbraw/zinc/06/66/09/539066609.db2.gz LMNPGXPKJGRZNT-UHFFFAOYSA-N 1 2 271.295 1.649 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]1(C#N)CCSC1 ZINC000594257653 342885386 /nfs/dbraw/zinc/88/53/86/342885386.db2.gz KOSNJFTXTVXRTF-BXKDBHETSA-N 1 2 264.354 1.104 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]1(C#N)CCSC1 ZINC000594257653 342885387 /nfs/dbraw/zinc/88/53/87/342885387.db2.gz KOSNJFTXTVXRTF-BXKDBHETSA-N 1 2 264.354 1.104 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000619179827 349647733 /nfs/dbraw/zinc/64/77/33/349647733.db2.gz GVNFILFQSIEJCG-CHWSQXEVSA-N 1 2 293.411 1.684 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000619179827 349647736 /nfs/dbraw/zinc/64/77/36/349647736.db2.gz GVNFILFQSIEJCG-CHWSQXEVSA-N 1 2 293.411 1.684 20 30 CDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CC2CC=CC2)c1=O ZINC000594897216 342970355 /nfs/dbraw/zinc/97/03/55/342970355.db2.gz GFTYRWFIUCEVMP-UHFFFAOYSA-N 1 2 299.374 1.518 20 30 CDEDLO C#CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000075556384 342313012 /nfs/dbraw/zinc/31/30/12/342313012.db2.gz UDPJXYJNXADMMZ-CYBMUJFWSA-N 1 2 286.310 1.581 20 30 CDEDLO COC[C@@](C)([NH2+]CCc1ccc(C#N)cc1)C(=O)OC ZINC000595408154 343050570 /nfs/dbraw/zinc/05/05/70/343050570.db2.gz NTKWWJAIEDEFQH-OAHLLOKOSA-N 1 2 276.336 1.268 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000595618190 343110373 /nfs/dbraw/zinc/11/03/73/343110373.db2.gz YQBLAADOIHKKHH-LLVKDONJSA-N 1 2 288.376 1.882 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000595618190 343110374 /nfs/dbraw/zinc/11/03/74/343110374.db2.gz YQBLAADOIHKKHH-LLVKDONJSA-N 1 2 288.376 1.882 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N(C)Cc1c[nH+]c[nH]1 ZINC000595598235 343114604 /nfs/dbraw/zinc/11/46/04/343114604.db2.gz ZRUHLEVQJVEYGV-NSHDSACASA-N 1 2 283.335 1.740 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N(C)Cc1c[nH]c[nH+]1 ZINC000595598235 343114606 /nfs/dbraw/zinc/11/46/06/343114606.db2.gz ZRUHLEVQJVEYGV-NSHDSACASA-N 1 2 283.335 1.740 20 30 CDEDLO C[N@H+](CC(=O)Nc1sccc1C#N)CC1=CCCOC1 ZINC000595753712 343153352 /nfs/dbraw/zinc/15/33/52/343153352.db2.gz SMDDVAFLPSQAJX-UHFFFAOYSA-N 1 2 291.376 1.837 20 30 CDEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)CC1=CCCOC1 ZINC000595753712 343153355 /nfs/dbraw/zinc/15/33/55/343153355.db2.gz SMDDVAFLPSQAJX-UHFFFAOYSA-N 1 2 291.376 1.837 20 30 CDEDLO Cc1ccn2cc(CNC(=O)N(C)C[C@H](C)C#N)[nH+]c2c1 ZINC000080103929 342350238 /nfs/dbraw/zinc/35/02/38/342350238.db2.gz AOZNZWRUZPEEDV-GFCCVEGCSA-N 1 2 285.351 1.944 20 30 CDEDLO CCC[NH+]1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000084167985 342378325 /nfs/dbraw/zinc/37/83/25/342378325.db2.gz NAANGNFBEQMLRD-UHFFFAOYSA-N 1 2 263.366 1.788 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)NCC2(C#N)CCC2)[C@H](C)CO1 ZINC000596632806 343362131 /nfs/dbraw/zinc/36/21/31/343362131.db2.gz ORFHHRXTWYWGIJ-CHWSQXEVSA-N 1 2 294.399 1.089 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCC2(C#N)CCC2)[C@H](C)CO1 ZINC000596632806 343362132 /nfs/dbraw/zinc/36/21/32/343362132.db2.gz ORFHHRXTWYWGIJ-CHWSQXEVSA-N 1 2 294.399 1.089 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C[C@H](C)O1 ZINC000330202790 362177141 /nfs/dbraw/zinc/17/71/41/362177141.db2.gz ZTVWNBGASSTIAO-TUAOUCFPSA-N 1 2 278.356 1.221 20 30 CDEDLO CC(C)C[C@@H](C#N)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597073134 343438900 /nfs/dbraw/zinc/43/89/00/343438900.db2.gz DSVOTLLRDIYVSB-MNOVXSKESA-N 1 2 260.341 1.569 20 30 CDEDLO CC(C)C[C@@H](C#N)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597073134 343438903 /nfs/dbraw/zinc/43/89/03/343438903.db2.gz DSVOTLLRDIYVSB-MNOVXSKESA-N 1 2 260.341 1.569 20 30 CDEDLO N#CCC1C[NH+](Cc2cnnn2Cc2ccccc2)C1 ZINC000597203747 343473384 /nfs/dbraw/zinc/47/33/84/343473384.db2.gz OCPQYNYGMOLHKA-UHFFFAOYSA-N 1 2 267.336 1.672 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc(F)c(F)c2F)C1 ZINC000597155017 343462550 /nfs/dbraw/zinc/46/25/50/343462550.db2.gz DAHBYIQEKGWYIM-ZDUSSCGKSA-N 1 2 270.254 1.954 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(F)c(F)c2F)C1 ZINC000597155017 343462553 /nfs/dbraw/zinc/46/25/53/343462553.db2.gz DAHBYIQEKGWYIM-ZDUSSCGKSA-N 1 2 270.254 1.954 20 30 CDEDLO N#Cc1nccnc1N1CCC(n2cc[nH+]c2)CC1 ZINC000301201207 136425129 /nfs/dbraw/zinc/42/51/29/136425129.db2.gz WRLSKJATUPCQKH-UHFFFAOYSA-N 1 2 254.297 1.386 20 30 CDEDLO CC[C@](C)(C#N)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597993197 343683253 /nfs/dbraw/zinc/68/32/53/343683253.db2.gz DHKHTWUJLDQWSO-OUCADQQQSA-N 1 2 267.373 1.152 20 30 CDEDLO CC[C@](C)(C#N)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597993197 343683255 /nfs/dbraw/zinc/68/32/55/343683255.db2.gz DHKHTWUJLDQWSO-OUCADQQQSA-N 1 2 267.373 1.152 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000597995301 343684323 /nfs/dbraw/zinc/68/43/23/343684323.db2.gz MBHCVFXXZNFJFF-GHMZBOCLSA-N 1 2 290.367 1.034 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000597995301 343684324 /nfs/dbraw/zinc/68/43/24/343684324.db2.gz MBHCVFXXZNFJFF-GHMZBOCLSA-N 1 2 290.367 1.034 20 30 CDEDLO C=C[C@@H]([NH2+]CCCNC(=O)c1cccc(F)c1)C(=O)OC ZINC000619701921 349858312 /nfs/dbraw/zinc/85/83/12/349858312.db2.gz ZZPSYZGIKQTTKE-CYBMUJFWSA-N 1 2 294.326 1.263 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000619720336 349870733 /nfs/dbraw/zinc/87/07/33/349870733.db2.gz CQSPWVRWULBCLE-OLZOCXBDSA-N 1 2 253.342 1.463 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000619721369 349871324 /nfs/dbraw/zinc/87/13/24/349871324.db2.gz HNZIDMWXXFRBJU-STQMWFEESA-N 1 2 283.368 1.768 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000619721369 349871328 /nfs/dbraw/zinc/87/13/28/349871328.db2.gz HNZIDMWXXFRBJU-STQMWFEESA-N 1 2 283.368 1.768 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc2cccnc2c1 ZINC000602331913 344402273 /nfs/dbraw/zinc/40/22/73/344402273.db2.gz IFEUNRNQTBVNMX-MRXNPFEDSA-N 1 2 282.347 1.808 20 30 CDEDLO COC(=O)[C@@H](C)[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602645924 344513975 /nfs/dbraw/zinc/51/39/75/344513975.db2.gz VEPVGLOPVOWREN-WDEREUQCSA-N 1 2 254.330 1.236 20 30 CDEDLO Cn1ccnc1[C@@H](C1CC1)[NH+]1CCN(CCC#N)CC1 ZINC000602751377 344579876 /nfs/dbraw/zinc/57/98/76/344579876.db2.gz JUYDILKTPPCZTK-CQSZACIVSA-N 1 2 273.384 1.402 20 30 CDEDLO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@H](C)CC#N)c1 ZINC000602860242 344616164 /nfs/dbraw/zinc/61/61/64/344616164.db2.gz AKAZOHCKJAPRPV-MNOVXSKESA-N 1 2 291.351 1.923 20 30 CDEDLO Cc1n[nH]cc1C[N@@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000602937715 344664652 /nfs/dbraw/zinc/66/46/52/344664652.db2.gz LRIOAXOHVXVMRA-WFASDCNBSA-N 1 2 291.399 1.593 20 30 CDEDLO Cc1n[nH]cc1C[N@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000602937715 344664653 /nfs/dbraw/zinc/66/46/53/344664653.db2.gz LRIOAXOHVXVMRA-WFASDCNBSA-N 1 2 291.399 1.593 20 30 CDEDLO COC(=O)c1n[nH]c2c1C[N@H+](CC1(CC#N)CC1)CC2 ZINC000602841608 344622081 /nfs/dbraw/zinc/62/20/81/344622081.db2.gz UJHZYIZSZUSYMM-UHFFFAOYSA-N 1 2 274.324 1.248 20 30 CDEDLO COC(=O)c1n[nH]c2c1C[N@@H+](CC1(CC#N)CC1)CC2 ZINC000602841608 344622082 /nfs/dbraw/zinc/62/20/82/344622082.db2.gz UJHZYIZSZUSYMM-UHFFFAOYSA-N 1 2 274.324 1.248 20 30 CDEDLO Cc1cccc(OCCNC(=O)C[NH2+][C@@H](C)CC#N)c1 ZINC000602866413 344638776 /nfs/dbraw/zinc/63/87/76/344638776.db2.gz ZVQRSSSXBYZPRS-ZDUSSCGKSA-N 1 2 275.352 1.382 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000602868587 344640296 /nfs/dbraw/zinc/64/02/96/344640296.db2.gz JPDOPNCDLWGBBQ-JTQLQIEISA-N 1 2 276.296 1.449 20 30 CDEDLO CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612161565 347064726 /nfs/dbraw/zinc/06/47/26/347064726.db2.gz GHSQBVCUVIWHKG-BXUZGUMPSA-N 1 2 280.372 1.235 20 30 CDEDLO CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612161565 347064728 /nfs/dbraw/zinc/06/47/28/347064728.db2.gz GHSQBVCUVIWHKG-BXUZGUMPSA-N 1 2 280.372 1.235 20 30 CDEDLO C[C@H]1C[N@H+](CCNc2cccc(F)c2C#N)CCO1 ZINC000523463734 260225283 /nfs/dbraw/zinc/22/52/83/260225283.db2.gz GVNSEJPMVIXPPJ-NSHDSACASA-N 1 2 263.316 1.830 20 30 CDEDLO C[C@H]1C[N@@H+](CCNc2cccc(F)c2C#N)CCO1 ZINC000523463734 260225285 /nfs/dbraw/zinc/22/52/85/260225285.db2.gz GVNSEJPMVIXPPJ-NSHDSACASA-N 1 2 263.316 1.830 20 30 CDEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)NC2CCCC2)CC1 ZINC000609485267 344914336 /nfs/dbraw/zinc/91/43/36/344914336.db2.gz MEEZTSAIYGULAC-HNNXBMFYSA-N 1 2 292.427 1.211 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H]1CSC[C@H]1C)C(=O)OC ZINC000449302841 362644173 /nfs/dbraw/zinc/64/41/73/362644173.db2.gz WMZYJWVYXVSTBI-VWYCJHECSA-N 1 2 259.371 1.072 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNc1c(C#N)cnc2ccccc21 ZINC000610276133 346240716 /nfs/dbraw/zinc/24/07/16/346240716.db2.gz TYYWGWKXBGRDJK-CYBMUJFWSA-N 1 2 296.374 1.661 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNc1c(C#N)cnc2ccccc21 ZINC000610276133 346240718 /nfs/dbraw/zinc/24/07/18/346240718.db2.gz TYYWGWKXBGRDJK-CYBMUJFWSA-N 1 2 296.374 1.661 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)[nH]1 ZINC000611030271 346585039 /nfs/dbraw/zinc/58/50/39/346585039.db2.gz VJXIAELRZDBQRE-GFCCVEGCSA-N 1 2 269.308 1.560 20 30 CDEDLO CN(CC(=O)Nc1sccc1C#N)Cc1[nH]cc[nH+]1 ZINC000611191171 346686011 /nfs/dbraw/zinc/68/60/11/346686011.db2.gz WIHNWGAYYUFCDI-UHFFFAOYSA-N 1 2 275.337 1.413 20 30 CDEDLO N#CCCCNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000612380077 347141350 /nfs/dbraw/zinc/14/13/50/347141350.db2.gz SSVFCRLSGBYMEH-LBPRGKRZSA-N 1 2 261.329 1.533 20 30 CDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCOCC3(CCC3)C2)cc1 ZINC000612746527 347268735 /nfs/dbraw/zinc/26/87/35/347268735.db2.gz SDNBRQSNHWNMOT-HNNXBMFYSA-N 1 2 299.374 1.587 20 30 CDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCOCC3(CCC3)C2)cc1 ZINC000612746527 347268739 /nfs/dbraw/zinc/26/87/39/347268739.db2.gz SDNBRQSNHWNMOT-HNNXBMFYSA-N 1 2 299.374 1.587 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(F)ccc2F)CC1 ZINC000064442689 347470943 /nfs/dbraw/zinc/47/09/43/347470943.db2.gz DRXSCJYRSPAQEF-UHFFFAOYSA-N 1 2 278.302 1.746 20 30 CDEDLO C=CC[N@@H+](CC(=O)N(C)C)Cc1ccccc1F ZINC000056312560 347780446 /nfs/dbraw/zinc/78/04/46/347780446.db2.gz KRFFTLWPFLRMNG-UHFFFAOYSA-N 1 2 250.317 1.902 20 30 CDEDLO C=CC[N@H+](CC(=O)N(C)C)Cc1ccccc1F ZINC000056312560 347780448 /nfs/dbraw/zinc/78/04/48/347780448.db2.gz KRFFTLWPFLRMNG-UHFFFAOYSA-N 1 2 250.317 1.902 20 30 CDEDLO C=C[C@@](C)(O)C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000614139078 348012620 /nfs/dbraw/zinc/01/26/20/348012620.db2.gz MEEMGLBSRZBDHP-CQSZACIVSA-N 1 2 274.324 1.504 20 30 CDEDLO COc1cc(OC[C@H](O)C[N@H+](C)CCC#N)ccc1C#N ZINC000414124281 362921741 /nfs/dbraw/zinc/92/17/41/362921741.db2.gz KPVXMGWCTVWPHX-CYBMUJFWSA-N 1 2 289.335 1.152 20 30 CDEDLO COc1cc(OC[C@H](O)C[N@@H+](C)CCC#N)ccc1C#N ZINC000414124281 362921745 /nfs/dbraw/zinc/92/17/45/362921745.db2.gz KPVXMGWCTVWPHX-CYBMUJFWSA-N 1 2 289.335 1.152 20 30 CDEDLO CN(C)C(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000029925506 348674283 /nfs/dbraw/zinc/67/42/83/348674283.db2.gz ATKSUHXOMKPZCP-UHFFFAOYSA-N 1 2 272.352 1.357 20 30 CDEDLO N#Cc1cc([N+](=O)[O-])cnc1NCCNc1cccc[nH+]1 ZINC000072883695 349138883 /nfs/dbraw/zinc/13/88/83/349138883.db2.gz WRAIYSSNZCBYBS-UHFFFAOYSA-N 1 2 284.279 1.780 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(F)c2)CC1 ZINC000073640792 349173019 /nfs/dbraw/zinc/17/30/19/349173019.db2.gz XVTXVQKHTDAVMC-UHFFFAOYSA-N 1 2 275.327 1.015 20 30 CDEDLO C[C@@H]1[C@H](C)[N@H+](Cc2ccc(C#N)cc2)[C@@H](C)C(=O)N1C ZINC000602847245 350154925 /nfs/dbraw/zinc/15/49/25/350154925.db2.gz JYULCODNZVBVII-AGIUHOORSA-N 1 2 271.364 1.998 20 30 CDEDLO C[C@@H]1[C@H](C)[N@@H+](Cc2ccc(C#N)cc2)[C@@H](C)C(=O)N1C ZINC000602847245 350154929 /nfs/dbraw/zinc/15/49/29/350154929.db2.gz JYULCODNZVBVII-AGIUHOORSA-N 1 2 271.364 1.998 20 30 CDEDLO C#CCOc1ccc(C[N@@H+](CC(=O)OC)C2CC2)cc1 ZINC000271263834 191036281 /nfs/dbraw/zinc/03/62/81/191036281.db2.gz LJPKLAUPYJAMDJ-UHFFFAOYSA-N 1 2 273.332 1.836 20 30 CDEDLO C#CCOc1ccc(C[N@H+](CC(=O)OC)C2CC2)cc1 ZINC000271263834 191036284 /nfs/dbraw/zinc/03/62/84/191036284.db2.gz LJPKLAUPYJAMDJ-UHFFFAOYSA-N 1 2 273.332 1.836 20 30 CDEDLO C[C@H](c1ccc(C#N)cc1)n1cc(C[N@H+](C)CCO)nn1 ZINC000603228608 350229502 /nfs/dbraw/zinc/22/95/02/350229502.db2.gz RTRUTZFNTBUGRR-GFCCVEGCSA-N 1 2 285.351 1.183 20 30 CDEDLO C[C@H](c1ccc(C#N)cc1)n1cc(C[N@@H+](C)CCO)nn1 ZINC000603228608 350229503 /nfs/dbraw/zinc/22/95/03/350229503.db2.gz RTRUTZFNTBUGRR-GFCCVEGCSA-N 1 2 285.351 1.183 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)NCc1ccc(OCC#N)cc1 ZINC000264098210 362966953 /nfs/dbraw/zinc/96/69/53/362966953.db2.gz FGHUWDHYIMPANU-UHFFFAOYSA-N 1 2 299.334 1.322 20 30 CDEDLO O=C(NCC#Cc1ccccc1)[C@H]1CCc2[nH+]ccn2C1 ZINC000621509478 350624277 /nfs/dbraw/zinc/62/42/77/350624277.db2.gz FVOBRBMFTNNYGH-HNNXBMFYSA-N 1 2 279.343 1.613 20 30 CDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3c[nH]cn3)C2)nc1 ZINC000292054283 198148008 /nfs/dbraw/zinc/14/80/08/198148008.db2.gz BNSKGDPAXAYHQR-CYBMUJFWSA-N 1 2 269.308 1.330 20 30 CDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c[nH]cn3)C2)nc1 ZINC000292054283 198148010 /nfs/dbraw/zinc/14/80/10/198148010.db2.gz BNSKGDPAXAYHQR-CYBMUJFWSA-N 1 2 269.308 1.330 20 30 CDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cnc[nH]3)C2)nc1 ZINC000292054283 198148011 /nfs/dbraw/zinc/14/80/11/198148011.db2.gz BNSKGDPAXAYHQR-CYBMUJFWSA-N 1 2 269.308 1.330 20 30 CDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cnc[nH]3)C2)nc1 ZINC000292054283 198148013 /nfs/dbraw/zinc/14/80/13/198148013.db2.gz BNSKGDPAXAYHQR-CYBMUJFWSA-N 1 2 269.308 1.330 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+](C)Cc1nc(CCOC)no1 ZINC000152481422 188022363 /nfs/dbraw/zinc/02/23/63/188022363.db2.gz SVYRHLLJXDGWFN-NSHDSACASA-N 1 2 269.345 1.017 20 30 CDEDLO C=CCC[C@H](O)C[N@H+](C)Cc1nc(CCOC)no1 ZINC000152481422 188022364 /nfs/dbraw/zinc/02/23/64/188022364.db2.gz SVYRHLLJXDGWFN-NSHDSACASA-N 1 2 269.345 1.017 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000152515861 188025509 /nfs/dbraw/zinc/02/55/09/188025509.db2.gz WQXWVSAMVYYYJP-GFCCVEGCSA-N 1 2 281.319 1.290 20 30 CDEDLO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000292350712 198255401 /nfs/dbraw/zinc/25/54/01/198255401.db2.gz VLQDHHSJVGPOTP-LBPRGKRZSA-N 1 2 296.367 1.564 20 30 CDEDLO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000292350712 198255402 /nfs/dbraw/zinc/25/54/02/198255402.db2.gz VLQDHHSJVGPOTP-LBPRGKRZSA-N 1 2 296.367 1.564 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000154208682 188129454 /nfs/dbraw/zinc/12/94/54/188129454.db2.gz PXZPJTOTEPBWRA-OAHLLOKOSA-N 1 2 279.286 1.764 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000154208682 188129455 /nfs/dbraw/zinc/12/94/55/188129455.db2.gz PXZPJTOTEPBWRA-OAHLLOKOSA-N 1 2 279.286 1.764 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000157719026 188334314 /nfs/dbraw/zinc/33/43/14/188334314.db2.gz HAACVBDJRBEVPZ-UHFFFAOYSA-N 1 2 295.386 1.878 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](CC(=O)OC)C1CCCC1 ZINC000157859658 188343575 /nfs/dbraw/zinc/34/35/75/188343575.db2.gz POIFHHMLGODKQU-UHFFFAOYSA-N 1 2 296.411 1.829 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CC(=O)OC)C1CCCC1 ZINC000157859658 188343577 /nfs/dbraw/zinc/34/35/77/188343577.db2.gz POIFHHMLGODKQU-UHFFFAOYSA-N 1 2 296.411 1.829 20 30 CDEDLO CCn1cc[nH+]c1CNC(=O)CNc1cccc(C#N)c1 ZINC000456097255 363242630 /nfs/dbraw/zinc/24/26/30/363242630.db2.gz JUARJURGWZYZIN-UHFFFAOYSA-N 1 2 283.335 1.503 20 30 CDEDLO C=CCCC[N@H+]1CC[S@@](=O)C[C@H]1c1cnn(CC)c1 ZINC000488222197 366097398 /nfs/dbraw/zinc/09/73/98/366097398.db2.gz XOQNAXNIVIWCQR-IFXJQAMLSA-N 1 2 281.425 1.975 20 30 CDEDLO C=CCCC[N@@H+]1CC[S@@](=O)C[C@H]1c1cnn(CC)c1 ZINC000488222197 366097402 /nfs/dbraw/zinc/09/74/02/366097402.db2.gz XOQNAXNIVIWCQR-IFXJQAMLSA-N 1 2 281.425 1.975 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)/C=C/c1[nH+]ccn1CC ZINC000492966253 366187503 /nfs/dbraw/zinc/18/75/03/366187503.db2.gz XVFYHSNXUNAABE-ABZNLYFFSA-N 1 2 263.341 1.360 20 30 CDEDLO N#Cc1ccccc1N1CC[NH+](CCc2c[nH]nn2)CC1 ZINC000590600494 358489997 /nfs/dbraw/zinc/48/99/97/358489997.db2.gz BDIUKKKJTZJSRY-UHFFFAOYSA-N 1 2 282.351 1.041 20 30 CDEDLO CCOC(=O)c1cnn(Cc2c[nH+]ccc2OC)c1C#N ZINC000286366670 356269608 /nfs/dbraw/zinc/26/96/08/356269608.db2.gz CMAOBXZVFRZYAH-UHFFFAOYSA-N 1 2 286.291 1.383 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cn1cc(I)cn1 ZINC000306785041 356660719 /nfs/dbraw/zinc/66/07/19/356660719.db2.gz IRVMGAZEBKSLTE-MRVPVSSYSA-N 1 2 289.120 1.399 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cn1cc(I)cn1 ZINC000306785041 356660720 /nfs/dbraw/zinc/66/07/20/356660720.db2.gz IRVMGAZEBKSLTE-MRVPVSSYSA-N 1 2 289.120 1.399 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+](CCO)Cc1cccnc1 ZINC000121232612 363567814 /nfs/dbraw/zinc/56/78/14/363567814.db2.gz VXNBLOGIOUXAED-UHFFFAOYSA-N 1 2 297.358 1.956 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+](CCO)Cc1cccnc1 ZINC000121232612 363567820 /nfs/dbraw/zinc/56/78/20/363567820.db2.gz VXNBLOGIOUXAED-UHFFFAOYSA-N 1 2 297.358 1.956 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000299374826 357049164 /nfs/dbraw/zinc/04/91/64/357049164.db2.gz SDERUFJZPZTNAZ-AWEZNQCLSA-N 1 2 254.333 1.890 20 30 CDEDLO CN(Cc1[nH+]ccn1C)c1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000341357055 357237452 /nfs/dbraw/zinc/23/74/52/357237452.db2.gz QQJLREDOKBMECR-UHFFFAOYSA-N 1 2 286.295 1.419 20 30 CDEDLO Cc1cc(N2CCC[C@@H](n3ccnn3)C2)c(C#N)c[nH+]1 ZINC000333477518 357342425 /nfs/dbraw/zinc/34/24/25/357342425.db2.gz OVPBRRQUOAYHHG-CYBMUJFWSA-N 1 2 268.324 1.695 20 30 CDEDLO COC[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccco1 ZINC000184553436 357489081 /nfs/dbraw/zinc/48/90/81/357489081.db2.gz LXBIBPDYTMEYHQ-DOMZBBRYSA-N 1 2 291.351 1.365 20 30 CDEDLO CNC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000187720586 357799081 /nfs/dbraw/zinc/79/90/81/357799081.db2.gz VLLGXUSREATEQM-FZMZJTMJSA-N 1 2 273.336 1.066 20 30 CDEDLO CNC(=O)[C@@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000187720586 357799085 /nfs/dbraw/zinc/79/90/85/357799085.db2.gz VLLGXUSREATEQM-FZMZJTMJSA-N 1 2 273.336 1.066 20 30 CDEDLO NC(=O)N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000175757630 283298493 /nfs/dbraw/zinc/29/84/93/283298493.db2.gz MODMCVZRSGXEPD-UHFFFAOYSA-N 1 2 291.782 1.778 20 30 CDEDLO NC(=O)N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000175757630 283298496 /nfs/dbraw/zinc/29/84/96/283298496.db2.gz MODMCVZRSGXEPD-UHFFFAOYSA-N 1 2 291.782 1.778 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000247444191 358326720 /nfs/dbraw/zinc/32/67/20/358326720.db2.gz SFMVNIKTPHOPAX-CVEARBPZSA-N 1 2 272.348 1.938 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000247444191 358326722 /nfs/dbraw/zinc/32/67/22/358326722.db2.gz SFMVNIKTPHOPAX-CVEARBPZSA-N 1 2 272.348 1.938 20 30 CDEDLO CN(CCCn1cc[nH+]c1)c1ncc([N+](=O)[O-])cc1C#N ZINC000269005632 366436854 /nfs/dbraw/zinc/43/68/54/366436854.db2.gz ZIQKQEUMEPTDMM-UHFFFAOYSA-N 1 2 286.295 1.584 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)CC2(C#N)CCCCC2)C1 ZINC000597002330 358675655 /nfs/dbraw/zinc/67/56/55/358675655.db2.gz BAFCPAZAICTBEI-ZDUSSCGKSA-N 1 2 279.384 1.297 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNC(=O)CC2(C#N)CCCCC2)C1 ZINC000597002330 358675657 /nfs/dbraw/zinc/67/56/57/358675657.db2.gz BAFCPAZAICTBEI-ZDUSSCGKSA-N 1 2 279.384 1.297 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1c(F)cccc1F ZINC000493818435 366495237 /nfs/dbraw/zinc/49/52/37/366495237.db2.gz IWDIYCAUEIYVDX-ZPIQOJFGSA-N 1 2 293.317 1.938 20 30 CDEDLO COC(=O)[C@H]1CCC[N@H+](CCC(C)(C)C#N)[C@@H]1C(=O)OC ZINC000345765311 358875685 /nfs/dbraw/zinc/87/56/85/358875685.db2.gz WVQYNHIVMBCPBL-RYUDHWBXSA-N 1 2 296.367 1.353 20 30 CDEDLO COC(=O)[C@H]1CCC[N@@H+](CCC(C)(C)C#N)[C@@H]1C(=O)OC ZINC000345765311 358875689 /nfs/dbraw/zinc/87/56/89/358875689.db2.gz WVQYNHIVMBCPBL-RYUDHWBXSA-N 1 2 296.367 1.353 20 30 CDEDLO C=CCC[C@H](O)C[NH2+][C@@H](C(=O)OCC)[C@@H]1CCCOC1 ZINC000347577045 359446494 /nfs/dbraw/zinc/44/64/94/359446494.db2.gz BUBWMYLHCPIGOE-HZSPNIEDSA-N 1 2 285.384 1.261 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000274233503 359494495 /nfs/dbraw/zinc/49/44/95/359494495.db2.gz ABNKOIZLWUNWDV-AWEZNQCLSA-N 1 2 295.427 1.259 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000274233503 359494498 /nfs/dbraw/zinc/49/44/98/359494498.db2.gz ABNKOIZLWUNWDV-AWEZNQCLSA-N 1 2 295.427 1.259 20 30 CDEDLO C#CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000274119424 359492717 /nfs/dbraw/zinc/49/27/17/359492717.db2.gz GREGPTDXMUJAGI-UHFFFAOYSA-N 1 2 299.330 1.582 20 30 CDEDLO C#CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000274119424 359492720 /nfs/dbraw/zinc/49/27/20/359492720.db2.gz GREGPTDXMUJAGI-UHFFFAOYSA-N 1 2 299.330 1.582 20 30 CDEDLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CC1(C#N)CC1 ZINC000495684488 366534813 /nfs/dbraw/zinc/53/48/13/366534813.db2.gz BONXEAIVIOIUGY-LBPRGKRZSA-N 1 2 265.357 1.843 20 30 CDEDLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CC1(C#N)CC1 ZINC000495684488 366534816 /nfs/dbraw/zinc/53/48/16/366534816.db2.gz BONXEAIVIOIUGY-LBPRGKRZSA-N 1 2 265.357 1.843 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296903926 200029903 /nfs/dbraw/zinc/02/99/03/200029903.db2.gz VXHMHOSYIMTIMW-SECBINFHSA-N 1 2 277.162 1.668 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296903926 200029905 /nfs/dbraw/zinc/02/99/05/200029905.db2.gz VXHMHOSYIMTIMW-SECBINFHSA-N 1 2 277.162 1.668 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](CC(=O)OCC)C(C)C)C1=O ZINC000337122518 359995781 /nfs/dbraw/zinc/99/57/81/359995781.db2.gz BJDSBAIIHDVIKB-LBPRGKRZSA-N 1 2 268.357 1.047 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](CC(=O)OCC)C(C)C)C1=O ZINC000337122518 359995785 /nfs/dbraw/zinc/99/57/85/359995785.db2.gz BJDSBAIIHDVIKB-LBPRGKRZSA-N 1 2 268.357 1.047 20 30 CDEDLO CC(C)[N@H+](CC#Cc1ccc(Cl)cc1)CC(N)=O ZINC000176991070 189019170 /nfs/dbraw/zinc/01/91/70/189019170.db2.gz FNHHENDPXVTZIG-UHFFFAOYSA-N 1 2 264.756 1.887 20 30 CDEDLO CC(C)[N@@H+](CC#Cc1ccc(Cl)cc1)CC(N)=O ZINC000176991070 189019171 /nfs/dbraw/zinc/01/91/71/189019171.db2.gz FNHHENDPXVTZIG-UHFFFAOYSA-N 1 2 264.756 1.887 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000424652777 360329621 /nfs/dbraw/zinc/32/96/21/360329621.db2.gz WUKQWBQHYFFPIT-LBPRGKRZSA-N 1 2 254.374 1.426 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000424652777 360329624 /nfs/dbraw/zinc/32/96/24/360329624.db2.gz WUKQWBQHYFFPIT-LBPRGKRZSA-N 1 2 254.374 1.426 20 30 CDEDLO CC[C@H](C#N)NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000335474364 360331964 /nfs/dbraw/zinc/33/19/64/360331964.db2.gz FKTIIMNQMZGXNV-LLVKDONJSA-N 1 2 256.309 1.914 20 30 CDEDLO Cn1ncc2c1nc[nH+]c2NCC1CCN(CC#N)CC1 ZINC000337887188 360478432 /nfs/dbraw/zinc/47/84/32/360478432.db2.gz YSGTYFLMRCQFMN-UHFFFAOYSA-N 1 2 285.355 1.011 20 30 CDEDLO COCC1(O)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000270373459 360462258 /nfs/dbraw/zinc/46/22/58/360462258.db2.gz NIOWJKGRYNALFE-UHFFFAOYSA-N 1 2 278.327 1.671 20 30 CDEDLO CC[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000057597209 360511955 /nfs/dbraw/zinc/51/19/55/360511955.db2.gz NZYYLBYPJASGJZ-CQSZACIVSA-N 1 2 278.377 1.567 20 30 CDEDLO CC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000057597209 360511958 /nfs/dbraw/zinc/51/19/58/360511958.db2.gz NZYYLBYPJASGJZ-CQSZACIVSA-N 1 2 278.377 1.567 20 30 CDEDLO CN(C)c1cccc(C[NH2+]Cc2ccc(C#N)o2)n1 ZINC000179033750 189163534 /nfs/dbraw/zinc/16/35/34/189163534.db2.gz NMNYPQQATIHJJI-UHFFFAOYSA-N 1 2 256.309 1.902 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338290571 360816348 /nfs/dbraw/zinc/81/63/48/360816348.db2.gz PUZVDPGLOQGSNH-UONOGXRCSA-N 1 2 296.411 1.195 20 30 CDEDLO Cc1nn(C)c(N2CC[NH+](CCCC#N)CC2)c1C#N ZINC000349917106 360961737 /nfs/dbraw/zinc/96/17/37/360961737.db2.gz YWFFINVPTZOBDK-UHFFFAOYSA-N 1 2 272.356 1.026 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2C(=O)OC)cc1 ZINC000179899088 189226676 /nfs/dbraw/zinc/22/66/76/189226676.db2.gz HMPINUJJKOPTQE-OAHLLOKOSA-N 1 2 273.332 1.836 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)OC)cc1 ZINC000179899088 189226677 /nfs/dbraw/zinc/22/66/77/189226677.db2.gz HMPINUJJKOPTQE-OAHLLOKOSA-N 1 2 273.332 1.836 20 30 CDEDLO C=CCn1nnnc1SCCCn1cc[nH+]c1 ZINC000180435883 189255295 /nfs/dbraw/zinc/25/52/95/189255295.db2.gz NLOXSLUVRUUSAI-UHFFFAOYSA-N 1 2 250.331 1.238 20 30 CDEDLO C=CCCC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000433103111 361210755 /nfs/dbraw/zinc/21/07/55/361210755.db2.gz IIAXUOLSOGZSCG-LBPRGKRZSA-N 1 2 262.357 1.581 20 30 CDEDLO CC(C)N1CCC[C@H]([N@H+](C)CC(C)(C)C#N)C1=O ZINC000433283217 361227148 /nfs/dbraw/zinc/22/71/48/361227148.db2.gz CMHGVGXGBZSSQB-LBPRGKRZSA-N 1 2 251.374 1.867 20 30 CDEDLO CC(C)N1CCC[C@H]([N@@H+](C)CC(C)(C)C#N)C1=O ZINC000433283217 361227149 /nfs/dbraw/zinc/22/71/49/361227149.db2.gz CMHGVGXGBZSSQB-LBPRGKRZSA-N 1 2 251.374 1.867 20 30 CDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1ccccc1C#N ZINC000367211932 361235329 /nfs/dbraw/zinc/23/53/29/361235329.db2.gz NWCYAZBFOZAEQQ-PBHICJAKSA-N 1 2 285.391 1.853 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCc3ccccc3C2)CCC1 ZINC000527377188 361345841 /nfs/dbraw/zinc/34/58/41/361345841.db2.gz HGMCJVQTWVUSRO-UHFFFAOYSA-N 1 2 269.348 1.607 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCc3ccccc3C2)CCC1 ZINC000527377188 361345843 /nfs/dbraw/zinc/34/58/43/361345843.db2.gz HGMCJVQTWVUSRO-UHFFFAOYSA-N 1 2 269.348 1.607 20 30 CDEDLO N#CC1(NC(=O)C[NH+]2Cc3ccccc3C2)CCC1 ZINC000527385158 361385912 /nfs/dbraw/zinc/38/59/12/361385912.db2.gz CVLJOZIWKJRRNL-UHFFFAOYSA-N 1 2 255.321 1.565 20 30 CDEDLO C=CCC(C)(C)CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000572620855 361429875 /nfs/dbraw/zinc/42/98/75/361429875.db2.gz ALYJFYCDNGBSSK-NSHDSACASA-N 1 2 276.340 1.475 20 30 CDEDLO C=CCC(C)(C)CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000572620855 361429877 /nfs/dbraw/zinc/42/98/77/361429877.db2.gz ALYJFYCDNGBSSK-NSHDSACASA-N 1 2 276.340 1.475 20 30 CDEDLO COCC(=O)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000183967346 189372573 /nfs/dbraw/zinc/37/25/73/189372573.db2.gz LCUXDNGNBNUSJJ-ZDUSSCGKSA-N 1 2 287.363 1.410 20 30 CDEDLO C[C@H](CCC#N)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000351471537 361691319 /nfs/dbraw/zinc/69/13/19/361691319.db2.gz KGKONDHIZRXIFM-HUUCEWRRSA-N 1 2 292.427 1.307 20 30 CDEDLO Cc1cc(N[C@H]2CCC[C@H](S(C)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000582356342 364080316 /nfs/dbraw/zinc/08/03/16/364080316.db2.gz OGEJYRKPLVGMBH-STQMWFEESA-N 1 2 293.392 1.451 20 30 CDEDLO Cc1cc(NCCCCn2cc[nH+]c2)c(C#N)cn1 ZINC000399366180 364036881 /nfs/dbraw/zinc/03/68/81/364036881.db2.gz BQDBKNAQKYKIPU-UHFFFAOYSA-N 1 2 255.325 1.772 20 30 CDEDLO COc1ccc(C(N)=[NH+]OC[C@H]2CCCO2)cc1 ZINC000170616316 364390903 /nfs/dbraw/zinc/39/09/03/364390903.db2.gz JRGJQXLSBPVSMT-GFCCVEGCSA-N 1 2 250.298 1.511 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccc(C)cc2)nn1 ZINC000640761205 364598053 /nfs/dbraw/zinc/59/80/53/364598053.db2.gz MJSHRDBDVZEFFI-UHFFFAOYSA-N 1 2 297.362 1.338 20 30 CDEDLO N#Cc1cccc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)c1 ZINC000367084054 364778236 /nfs/dbraw/zinc/77/82/36/364778236.db2.gz KQZKTIHKQGIPQS-INIZCTEOSA-N 1 2 292.342 1.740 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000298473406 364900784 /nfs/dbraw/zinc/90/07/84/364900784.db2.gz QWAWPIHLMCMCNF-QWHCGFSZSA-N 1 2 287.363 1.284 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000298473406 364900792 /nfs/dbraw/zinc/90/07/92/364900792.db2.gz QWAWPIHLMCMCNF-QWHCGFSZSA-N 1 2 287.363 1.284 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2csc(C3CC3)n2)nn1 ZINC000641096340 365046216 /nfs/dbraw/zinc/04/62/16/365046216.db2.gz ABFFUWZSVXAULQ-UHFFFAOYSA-N 1 2 287.392 1.773 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cc(C3CC3)no2)nn1 ZINC000641115668 365072364 /nfs/dbraw/zinc/07/23/64/365072364.db2.gz NUCBUWQTCRYVNH-UHFFFAOYSA-N 1 2 271.324 1.305 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(CC#N)c1 ZINC000563010658 365283756 /nfs/dbraw/zinc/28/37/56/365283756.db2.gz SXWVVNNONAFZEL-HNNXBMFYSA-N 1 2 272.352 1.371 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(CC#N)c1 ZINC000563010658 365283758 /nfs/dbraw/zinc/28/37/58/365283758.db2.gz SXWVVNNONAFZEL-HNNXBMFYSA-N 1 2 272.352 1.371 20 30 CDEDLO COc1ccc(C[NH2+][C@H](C)c2ncn(C)n2)cc1C#N ZINC000275847423 193146181 /nfs/dbraw/zinc/14/61/81/193146181.db2.gz QXZGBMSFMHWMFR-SNVBAGLBSA-N 1 2 271.324 1.546 20 30 CDEDLO C[C@@H](C#N)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000357832515 367241824 /nfs/dbraw/zinc/24/18/24/367241824.db2.gz QGLVEPTXMGVLTJ-NSHDSACASA-N 1 2 258.325 1.458 20 30 CDEDLO CC(C)(C#N)CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000358623023 367823232 /nfs/dbraw/zinc/82/32/32/367823232.db2.gz BKWJRTCZINGQBH-ZDUSSCGKSA-N 1 2 294.399 1.042 20 30 CDEDLO C=CCOc1cccnc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000538254613 368259185 /nfs/dbraw/zinc/25/91/85/368259185.db2.gz ZIMSXKMTZGCIBS-UHFFFAOYSA-N 1 2 284.319 1.540 20 30 CDEDLO C=CCNC(=O)c1ccc(NCCCCn2cc[nH+]c2)nc1 ZINC000538706581 368340417 /nfs/dbraw/zinc/34/04/17/368340417.db2.gz RFHHGFJPTQHYAX-UHFFFAOYSA-N 1 2 299.378 1.508 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C#N)cc1 ZINC000330617557 203045252 /nfs/dbraw/zinc/04/52/52/203045252.db2.gz GITBTVOVLJYBDT-GFCCVEGCSA-N 1 2 273.336 1.009 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(C#N)cc1 ZINC000330617557 203045256 /nfs/dbraw/zinc/04/52/56/203045256.db2.gz GITBTVOVLJYBDT-GFCCVEGCSA-N 1 2 273.336 1.009 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCOc2ccccc2)nn1 ZINC000630605280 369373972 /nfs/dbraw/zinc/37/39/72/369373972.db2.gz XVZCQWSPZYTICN-UHFFFAOYSA-N 1 2 270.336 1.470 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(C#N)ccc1Cl ZINC000565050481 370339941 /nfs/dbraw/zinc/33/99/41/370339941.db2.gz DBQXRMHJPQCCHZ-AWEZNQCLSA-N 1 2 290.754 1.785 20 30 CDEDLO N#CCC1CC[NH+](Cc2ncnn2CCF)CC1 ZINC000565342049 370421696 /nfs/dbraw/zinc/42/16/96/370421696.db2.gz KNQDYMYLYKKFGF-UHFFFAOYSA-N 1 2 251.309 1.373 20 30 CDEDLO Cc1ccc(F)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000568704242 371228804 /nfs/dbraw/zinc/22/88/04/371228804.db2.gz ZSEGNLZDRACFJA-AWEZNQCLSA-N 1 2 263.316 1.708 20 30 CDEDLO Cc1cc(F)cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000574089904 371696423 /nfs/dbraw/zinc/69/64/23/371696423.db2.gz RCDORUJHGGTTIZ-CQSZACIVSA-N 1 2 263.316 1.708 20 30 CDEDLO C=CCN(CC=C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171227993 372150883 /nfs/dbraw/zinc/15/08/83/372150883.db2.gz JAVJIMRZUZQTGU-UHFFFAOYSA-N 1 2 281.400 1.481 20 30 CDEDLO C=CCN(CC=C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171227993 372150888 /nfs/dbraw/zinc/15/08/88/372150888.db2.gz JAVJIMRZUZQTGU-UHFFFAOYSA-N 1 2 281.400 1.481 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171614651 372204415 /nfs/dbraw/zinc/20/44/15/372204415.db2.gz ALLFENBZFLOUNL-LBPRGKRZSA-N 1 2 281.359 1.664 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171614651 372204421 /nfs/dbraw/zinc/20/44/21/372204421.db2.gz ALLFENBZFLOUNL-LBPRGKRZSA-N 1 2 281.359 1.664 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1c1nc([C@H]2C[N@@H+](C)CCN2C)no1 ZINC000350047707 372277816 /nfs/dbraw/zinc/27/78/16/372277816.db2.gz OJSDNCOVMUARJZ-JHJVBQTASA-N 1 2 292.383 1.437 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1c1nc([C@H]2C[N@H+](C)CCN2C)no1 ZINC000350047707 372277820 /nfs/dbraw/zinc/27/78/20/372277820.db2.gz OJSDNCOVMUARJZ-JHJVBQTASA-N 1 2 292.383 1.437 20 30 CDEDLO C[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1cccnc1 ZINC000348379639 373133829 /nfs/dbraw/zinc/13/38/29/373133829.db2.gz KSVOLSKDEXXMLQ-UHFFFAOYSA-N 1 2 294.358 1.701 20 30 CDEDLO C[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1cccnc1 ZINC000348379639 373133834 /nfs/dbraw/zinc/13/38/34/373133834.db2.gz KSVOLSKDEXXMLQ-UHFFFAOYSA-N 1 2 294.358 1.701 20 30 CDEDLO C#CC[NH+]1CCN(CCOc2cccc(OC)c2)CC1 ZINC000164440356 373224647 /nfs/dbraw/zinc/22/46/47/373224647.db2.gz LGOFYQIBRWZZPJ-UHFFFAOYSA-N 1 2 274.364 1.325 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)NCc1[nH]cc[nH+]1 ZINC000352072626 374300332 /nfs/dbraw/zinc/30/03/32/374300332.db2.gz YEUWRWHPVFIOIW-UHFFFAOYSA-N 1 2 271.280 1.612 20 30 CDEDLO COCc1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1C#N ZINC000529815683 374471484 /nfs/dbraw/zinc/47/14/84/374471484.db2.gz FOTYDJUWKLVRPN-UHFFFAOYSA-N 1 2 284.319 1.999 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425604066 374663278 /nfs/dbraw/zinc/66/32/78/374663278.db2.gz AATBIACVUSZBLG-QWHCGFSZSA-N 1 2 275.356 1.607 20 30 CDEDLO Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1C#N ZINC000276984121 374764394 /nfs/dbraw/zinc/76/43/94/374764394.db2.gz UFWSRZJDSRSHBW-HUUCEWRRSA-N 1 2 258.369 1.613 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCn2ccnc2C1 ZINC000332579369 375037837 /nfs/dbraw/zinc/03/78/37/375037837.db2.gz AQZAXRXXHPWWCR-UHFFFAOYSA-N 1 2 268.320 1.779 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCn2ccnc2C1 ZINC000332579369 375037846 /nfs/dbraw/zinc/03/78/46/375037846.db2.gz AQZAXRXXHPWWCR-UHFFFAOYSA-N 1 2 268.320 1.779 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)c1 ZINC000335702309 375147795 /nfs/dbraw/zinc/14/77/95/375147795.db2.gz WDJDRDLUIGZSPW-HNNXBMFYSA-N 1 2 298.321 1.812 20 30 CDEDLO C[C@H](NC(=O)[C@@H]1C[C@H](C)CC(=O)N1)[C@H](C)[NH+]1CCOCC1 ZINC000328825007 375966625 /nfs/dbraw/zinc/96/66/25/375966625.db2.gz RQYVXKWLKQRLTP-CYDGBPFRSA-N 1 2 297.399 1.807 20 30 CDEDLO CC(C)(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)N1CCOCC1 ZINC000328678030 375925936 /nfs/dbraw/zinc/92/59/36/375925936.db2.gz MIXGMMVSHBVONJ-GFCCVEGCSA-N 1 2 292.383 1.265 20 30 CDEDLO CCn1nncc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000328741407 375940676 /nfs/dbraw/zinc/94/06/76/375940676.db2.gz IYNMIDHALPZIGB-UHFFFAOYSA-N 1 2 288.355 1.378 20 30 CDEDLO CCc1noc(C)c1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000328747850 375942447 /nfs/dbraw/zinc/94/24/47/375942447.db2.gz BFCVJOZSZDIREU-JTQLQIEISA-N 1 2 253.302 1.464 20 30 CDEDLO CCc1noc(C)c1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000328747850 375942452 /nfs/dbraw/zinc/94/24/52/375942452.db2.gz BFCVJOZSZDIREU-JTQLQIEISA-N 1 2 253.302 1.464 20 30 CDEDLO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000328945855 376017159 /nfs/dbraw/zinc/01/71/59/376017159.db2.gz AZRGNBLAYZCVDK-TZMCWYRMSA-N 1 2 293.411 1.971 20 30 CDEDLO C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000328945855 376017166 /nfs/dbraw/zinc/01/71/66/376017166.db2.gz AZRGNBLAYZCVDK-TZMCWYRMSA-N 1 2 293.411 1.971 20 30 CDEDLO CO[C@@H](CC(C)C)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000419213714 376101859 /nfs/dbraw/zinc/10/18/59/376101859.db2.gz JMRYEAINFQQOMJ-INIZCTEOSA-N 1 2 297.443 1.595 20 30 CDEDLO CO[C@@H](CC(C)C)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000419213714 376101869 /nfs/dbraw/zinc/10/18/69/376101869.db2.gz JMRYEAINFQQOMJ-INIZCTEOSA-N 1 2 297.443 1.595 20 30 CDEDLO CO[C@@H](CC(C)C)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000419213714 376101877 /nfs/dbraw/zinc/10/18/77/376101877.db2.gz JMRYEAINFQQOMJ-INIZCTEOSA-N 1 2 297.443 1.595 20 30 CDEDLO N#CCCN(CCOCC1CCC1)CC[NH+]1CCOCC1 ZINC000419220955 376104701 /nfs/dbraw/zinc/10/47/01/376104701.db2.gz VKEWLECQKMDQNU-UHFFFAOYSA-N 1 2 295.427 1.351 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000263772990 190077562 /nfs/dbraw/zinc/07/75/62/190077562.db2.gz FQACYOLIRBHCFD-LLYBFZRZSA-N 1 2 285.347 1.018 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000263772990 190077563 /nfs/dbraw/zinc/07/75/63/190077563.db2.gz FQACYOLIRBHCFD-LLYBFZRZSA-N 1 2 285.347 1.018 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCc1ccc(COC)cc1 ZINC000072906337 377206448 /nfs/dbraw/zinc/20/64/48/377206448.db2.gz KCRJKCORWQEADF-UHFFFAOYSA-N 1 2 284.359 1.018 20 30 CDEDLO CN1CC[C@H]([N@H+](C)Cc2cn3ccccc3c2C#N)C1=O ZINC000265661306 190197816 /nfs/dbraw/zinc/19/78/16/190197816.db2.gz SAGXAXSINZQRGU-HNNXBMFYSA-N 1 2 282.347 1.473 20 30 CDEDLO CN1CC[C@H]([N@@H+](C)Cc2cn3ccccc3c2C#N)C1=O ZINC000265661306 190197817 /nfs/dbraw/zinc/19/78/17/190197817.db2.gz SAGXAXSINZQRGU-HNNXBMFYSA-N 1 2 282.347 1.473 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@@H](CCC)C1 ZINC000131641682 377684516 /nfs/dbraw/zinc/68/45/16/377684516.db2.gz JAHSMUWDZUNNMA-AWEZNQCLSA-N 1 2 268.401 1.912 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@@H](CCC)C1 ZINC000131641682 377684523 /nfs/dbraw/zinc/68/45/23/377684523.db2.gz JAHSMUWDZUNNMA-AWEZNQCLSA-N 1 2 268.401 1.912 20 30 CDEDLO COCC[C@H]1COCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000365839462 412882173 /nfs/dbraw/zinc/88/21/73/412882173.db2.gz UHAILTLDJLGWIE-AWEZNQCLSA-N 1 2 278.327 1.935 20 30 CDEDLO COCC[C@H]1COCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000365839462 412882175 /nfs/dbraw/zinc/88/21/75/412882175.db2.gz UHAILTLDJLGWIE-AWEZNQCLSA-N 1 2 278.327 1.935 20 30 CDEDLO C#C[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000280987238 377986626 /nfs/dbraw/zinc/98/66/26/377986626.db2.gz BWGBODJDAFSPSG-AWEZNQCLSA-N 1 2 286.379 1.571 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281414494 378003971 /nfs/dbraw/zinc/00/39/71/378003971.db2.gz RIQRGLAMTSCXPD-BDAKNGLRSA-N 1 2 275.146 1.325 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281414494 378003974 /nfs/dbraw/zinc/00/39/74/378003974.db2.gz RIQRGLAMTSCXPD-BDAKNGLRSA-N 1 2 275.146 1.325 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633206643 378207768 /nfs/dbraw/zinc/20/77/68/378207768.db2.gz AXRIGISRRAVRMW-YPMHNXCESA-N 1 2 278.356 1.532 20 30 CDEDLO C#CC[N@@H+](C)[C@@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000192222959 378178534 /nfs/dbraw/zinc/17/85/34/378178534.db2.gz PHTMQIPNGLHVTE-LLVKDONJSA-N 1 2 292.360 1.205 20 30 CDEDLO C#CC[N@H+](C)[C@@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000192222959 378178538 /nfs/dbraw/zinc/17/85/38/378178538.db2.gz PHTMQIPNGLHVTE-LLVKDONJSA-N 1 2 292.360 1.205 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCCCNc1cccc[nH+]1 ZINC000291226218 378437614 /nfs/dbraw/zinc/43/76/14/378437614.db2.gz IHQYRJPUXLMSKS-CQSZACIVSA-N 1 2 263.341 1.327 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccc2c(c1)NC(=O)CO2 ZINC000295227134 378663193 /nfs/dbraw/zinc/66/31/93/378663193.db2.gz CKHYHEPDOQJMSN-UHFFFAOYSA-N 1 2 254.289 1.086 20 30 CDEDLO C#C[C@@H](C)NC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000186090462 378854911 /nfs/dbraw/zinc/85/49/11/378854911.db2.gz MOJZHCIQHHISOF-MFKMUULPSA-N 1 2 295.333 1.888 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1CC ZINC000343487752 378891681 /nfs/dbraw/zinc/89/16/81/378891681.db2.gz JDGIKFYFQCVGLW-STQMWFEESA-N 1 2 254.374 1.568 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000343487752 378891684 /nfs/dbraw/zinc/89/16/84/378891684.db2.gz JDGIKFYFQCVGLW-STQMWFEESA-N 1 2 254.374 1.568 20 30 CDEDLO C=C[C@H](C)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000343652142 378942788 /nfs/dbraw/zinc/94/27/88/378942788.db2.gz CZDNFQGHDIODFG-RWMBFGLXSA-N 1 2 259.353 1.845 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(F)c(C#N)c1 ZINC000278923038 194214976 /nfs/dbraw/zinc/21/49/76/194214976.db2.gz SABYNICVTNHVMM-LLVKDONJSA-N 1 2 291.326 1.148 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000266920114 190290653 /nfs/dbraw/zinc/29/06/53/190290653.db2.gz LVIGXBWCXPQDQS-JTQLQIEISA-N 1 2 265.744 1.305 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000266920114 190290654 /nfs/dbraw/zinc/29/06/54/190290654.db2.gz LVIGXBWCXPQDQS-JTQLQIEISA-N 1 2 265.744 1.305 20 30 CDEDLO CC(C)(C(=O)NCc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000279354933 194398472 /nfs/dbraw/zinc/39/84/72/194398472.db2.gz FOHGDZVHFYOIKW-UHFFFAOYSA-N 1 2 287.363 1.285 20 30 CDEDLO C=C(Cl)CNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000280916866 195027354 /nfs/dbraw/zinc/02/73/54/195027354.db2.gz JAWVHLPEZHXHBI-UHFFFAOYSA-N 1 2 266.719 1.832 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)/C=C/c2ccc(C#N)cc2)CCO1 ZINC000491413462 253080416 /nfs/dbraw/zinc/08/04/16/253080416.db2.gz FFYKOXMNFVIUJS-PSKZRQQASA-N 1 2 299.374 1.408 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)/C=C/c2ccc(C#N)cc2)CCO1 ZINC000491413462 253080419 /nfs/dbraw/zinc/08/04/19/253080419.db2.gz FFYKOXMNFVIUJS-PSKZRQQASA-N 1 2 299.374 1.408 20 30 CDEDLO Cc1cc(N2CC[C@@H](C)[S@@](=O)CC2)c(C#N)c[nH+]1 ZINC000333459172 291939112 /nfs/dbraw/zinc/93/91/12/291939112.db2.gz LGCCNHREGOXJLK-ZMZPIMSZSA-N 1 2 263.366 1.609 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc(C#N)c1 ZINC000034674314 390212998 /nfs/dbraw/zinc/21/29/98/390212998.db2.gz FAETZCQHJZXVCE-CYBMUJFWSA-N 1 2 259.309 1.143 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc(C#N)c1 ZINC000034674314 390213001 /nfs/dbraw/zinc/21/30/01/390213001.db2.gz FAETZCQHJZXVCE-CYBMUJFWSA-N 1 2 259.309 1.143 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(C#N)cc1 ZINC000048375643 390391130 /nfs/dbraw/zinc/39/11/30/390391130.db2.gz JDOLQRHSCNDRMU-UHFFFAOYSA-N 1 2 254.293 1.564 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)[nH]1 ZINC000335313460 390647149 /nfs/dbraw/zinc/64/71/49/390647149.db2.gz WZFNOHMWLHMBQZ-HNNXBMFYSA-N 1 2 298.321 1.812 20 30 CDEDLO CCOC(=O)c1ccc(C[NH+]2CCN(CC#N)CC2)o1 ZINC000092936487 390898465 /nfs/dbraw/zinc/89/84/65/390898465.db2.gz CELLGMJIEPGRQA-UHFFFAOYSA-N 1 2 277.324 1.097 20 30 CDEDLO CC1(C#N)CC[NH+](CC(=O)NCC(=O)N2CCCC2)CC1 ZINC000329516882 391002629 /nfs/dbraw/zinc/00/26/29/391002629.db2.gz PCAOLJPVCPFJBR-UHFFFAOYSA-N 1 2 292.383 1.191 20 30 CDEDLO COC1(C)CN(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000329527747 391005503 /nfs/dbraw/zinc/00/55/03/391005503.db2.gz SFJIPNGGJMHEMC-UHFFFAOYSA-N 1 2 260.297 1.601 20 30 CDEDLO C[C@H]1C[C@@H](O)CN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000329543223 391010487 /nfs/dbraw/zinc/01/04/87/391010487.db2.gz YEXHFKQNBDYDME-GXSJLCMTSA-N 1 2 260.297 1.335 20 30 CDEDLO CC1(C)CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H]1C#N ZINC000373084860 391105279 /nfs/dbraw/zinc/10/52/79/391105279.db2.gz VWGHXGOXQNRAIU-CHWSQXEVSA-N 1 2 286.379 1.986 20 30 CDEDLO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352464928 391148343 /nfs/dbraw/zinc/14/83/43/391148343.db2.gz YYCXHQGKVYADGS-LLVKDONJSA-N 1 2 298.362 1.184 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000352432759 391135600 /nfs/dbraw/zinc/13/56/00/391135600.db2.gz NDHCURNMONVNHE-IIAWOOMASA-N 1 2 298.427 1.441 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000352434522 391136556 /nfs/dbraw/zinc/13/65/56/391136556.db2.gz XDFYBIZPZKVQMS-HIFRSBDPSA-N 1 2 284.400 1.052 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000352434522 391136559 /nfs/dbraw/zinc/13/65/59/391136559.db2.gz XDFYBIZPZKVQMS-HIFRSBDPSA-N 1 2 284.400 1.052 20 30 CDEDLO CN(C)c1ccc(CNC(=O)C2(C#N)CCC2)c[nH+]1 ZINC000265469490 391156433 /nfs/dbraw/zinc/15/64/33/391156433.db2.gz WXEXEHKICOGUEZ-UHFFFAOYSA-N 1 2 258.325 1.458 20 30 CDEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000265667561 391160413 /nfs/dbraw/zinc/16/04/13/391160413.db2.gz YUVFFCNSNRIBFC-IZDJOXEWSA-N 1 2 292.404 1.930 20 30 CDEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000265667561 391160415 /nfs/dbraw/zinc/16/04/15/391160415.db2.gz YUVFFCNSNRIBFC-IZDJOXEWSA-N 1 2 292.404 1.930 20 30 CDEDLO C=CCOCCCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376184740 391217358 /nfs/dbraw/zinc/21/73/58/391217358.db2.gz CEBMZEIQIUVOCN-CABCVRRESA-N 1 2 296.411 1.291 20 30 CDEDLO C=CCOCC[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000339052427 391246370 /nfs/dbraw/zinc/24/63/70/391246370.db2.gz IZDWYGLMYMEZJU-DYVFJYSZSA-N 1 2 297.358 1.534 20 30 CDEDLO C=CCOCC[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000339052427 391246373 /nfs/dbraw/zinc/24/63/73/391246373.db2.gz IZDWYGLMYMEZJU-DYVFJYSZSA-N 1 2 297.358 1.534 20 30 CDEDLO OCCCCCC/[NH+]=C/c1ccc(O)c(O)c1O ZINC000183385201 391263662 /nfs/dbraw/zinc/26/36/62/391263662.db2.gz DZTJLBIWZBLAFN-NTEUORMPSA-N 1 2 253.298 1.775 20 30 CDEDLO CC[C@@H](C#N)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000270357787 391272406 /nfs/dbraw/zinc/27/24/06/391272406.db2.gz QQSCWPMQKDZDEW-AWEZNQCLSA-N 1 2 287.363 1.551 20 30 CDEDLO C#CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCCC1 ZINC000371020042 391346429 /nfs/dbraw/zinc/34/64/29/391346429.db2.gz WCQXKQCBFBZKEU-ZDUSSCGKSA-N 1 2 271.364 1.850 20 30 CDEDLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000346969933 391379993 /nfs/dbraw/zinc/37/99/93/391379993.db2.gz LVTCQNWBTKILAL-LBPRGKRZSA-N 1 2 272.352 1.637 20 30 CDEDLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000346969933 391379998 /nfs/dbraw/zinc/37/99/98/391379998.db2.gz LVTCQNWBTKILAL-LBPRGKRZSA-N 1 2 272.352 1.637 20 30 CDEDLO Cc1[nH+]ccn1CC[NH+]=C([O-])N1CC[C@H](C2CC2)C1 ZINC000328922847 391394101 /nfs/dbraw/zinc/39/41/01/391394101.db2.gz MTDFITRRKQGRJJ-ZDUSSCGKSA-N 1 2 262.357 1.837 20 30 CDEDLO C[C@](O)(CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000328973577 391401149 /nfs/dbraw/zinc/40/11/49/391401149.db2.gz VSJJEVRDDHHNJL-YGRLFVJLSA-N 1 2 263.341 1.775 20 30 CDEDLO C[C@](O)(CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000328973577 391401152 /nfs/dbraw/zinc/40/11/52/391401152.db2.gz VSJJEVRDDHHNJL-YGRLFVJLSA-N 1 2 263.341 1.775 20 30 CDEDLO C[C@@H](C#N)NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000125052548 391438237 /nfs/dbraw/zinc/43/82/37/391438237.db2.gz HZAUSBQHZQAQJY-JSGCOSHPSA-N 1 2 289.404 1.805 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1ccon1 ZINC000349236749 391538188 /nfs/dbraw/zinc/53/81/88/391538188.db2.gz HOWHBTFSSAVVJQ-NSHDSACASA-N 1 2 251.330 1.750 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1ccon1 ZINC000349244147 391539750 /nfs/dbraw/zinc/53/97/50/391539750.db2.gz QGYUFEVTGMOYDJ-MFKMUULPSA-N 1 2 264.329 1.380 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000412378400 391618347 /nfs/dbraw/zinc/61/83/47/391618347.db2.gz ZQNQULFFBOYXHD-KBPBESRZSA-N 1 2 296.411 1.590 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000412378400 391618349 /nfs/dbraw/zinc/61/83/49/391618349.db2.gz ZQNQULFFBOYXHD-KBPBESRZSA-N 1 2 296.411 1.590 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000340027820 391627437 /nfs/dbraw/zinc/62/74/37/391627437.db2.gz FUJSWARPFNZXOE-ZDUSSCGKSA-N 1 2 267.417 1.341 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000335843496 391594741 /nfs/dbraw/zinc/59/47/41/391594741.db2.gz SGBGXTHZVJCFQA-GFCCVEGCSA-N 1 2 258.387 1.062 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000335843496 391594745 /nfs/dbraw/zinc/59/47/45/391594745.db2.gz SGBGXTHZVJCFQA-GFCCVEGCSA-N 1 2 258.387 1.062 20 30 CDEDLO N#CC1(NC(=O)COc2ccccc2-n2cc[nH+]c2)CCC1 ZINC000527368683 391659056 /nfs/dbraw/zinc/65/90/56/391659056.db2.gz SSASRKMFYROCFI-UHFFFAOYSA-N 1 2 296.330 1.814 20 30 CDEDLO C=CC[N@@H+](C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000412978117 391667920 /nfs/dbraw/zinc/66/79/20/391667920.db2.gz PEYQXMXHNWKYDQ-VXGBXAGGSA-N 1 2 261.387 1.087 20 30 CDEDLO C=CC[N@H+](C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000412978117 391667922 /nfs/dbraw/zinc/66/79/22/391667922.db2.gz PEYQXMXHNWKYDQ-VXGBXAGGSA-N 1 2 261.387 1.087 20 30 CDEDLO CC[N@@H+](Cc1nn2c(nc(C)cc2=O)s1)C[C@H](C)C#N ZINC000193501585 391745634 /nfs/dbraw/zinc/74/56/34/391745634.db2.gz OZDDALFJUYGITP-SECBINFHSA-N 1 2 291.380 1.441 20 30 CDEDLO CC[N@H+](Cc1nn2c(nc(C)cc2=O)s1)C[C@H](C)C#N ZINC000193501585 391745637 /nfs/dbraw/zinc/74/56/37/391745637.db2.gz OZDDALFJUYGITP-SECBINFHSA-N 1 2 291.380 1.441 20 30 CDEDLO O=C(NCC1([NH+]2CCOCC2)CC1)[C@H]1CCCC(=O)N1 ZINC000329873886 391793107 /nfs/dbraw/zinc/79/31/07/391793107.db2.gz CKYHMKLFSGHLMN-LLVKDONJSA-N 1 2 281.356 1.317 20 30 CDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(Cl)cn3)C[C@H]21 ZINC000329920399 391799654 /nfs/dbraw/zinc/79/96/54/391799654.db2.gz DYBLOLWHPBWHFS-GHMZBOCLSA-N 1 2 296.758 1.295 20 30 CDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(Cl)cn3)C[C@H]21 ZINC000329920399 391799656 /nfs/dbraw/zinc/79/96/56/391799656.db2.gz DYBLOLWHPBWHFS-GHMZBOCLSA-N 1 2 296.758 1.295 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(C#N)c3)C[C@H]21 ZINC000329961721 391806859 /nfs/dbraw/zinc/80/68/59/391806859.db2.gz SHNGBWPVGGBBMN-KGLIPLIRSA-N 1 2 286.335 1.119 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(C#N)c3)C[C@H]21 ZINC000329961721 391806862 /nfs/dbraw/zinc/80/68/62/391806862.db2.gz SHNGBWPVGGBBMN-KGLIPLIRSA-N 1 2 286.335 1.119 20 30 CDEDLO C=C[C@H](O)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000646819724 392904353 /nfs/dbraw/zinc/90/43/53/392904353.db2.gz WQSFRRJOQDRIDG-NEPJUHHUSA-N 1 2 284.306 1.231 20 30 CDEDLO CC1(C)C[N@H+](Cc2ccc(C#N)s2)C[C@H](CO)O1 ZINC000421364610 392933447 /nfs/dbraw/zinc/93/34/47/392933447.db2.gz SJXYZALTCXVFQI-SNVBAGLBSA-N 1 2 266.366 1.591 20 30 CDEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)C[C@H](CO)O1 ZINC000421364610 392933450 /nfs/dbraw/zinc/93/34/50/392933450.db2.gz SJXYZALTCXVFQI-SNVBAGLBSA-N 1 2 266.366 1.591 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3ccc(F)cc3C#N)C[C@@H]21 ZINC000130952180 392987651 /nfs/dbraw/zinc/98/76/51/392987651.db2.gz BSPUIQKPJPMFBX-GJZGRUSLSA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3ccc(F)cc3C#N)C[C@@H]21 ZINC000130952180 392987659 /nfs/dbraw/zinc/98/76/59/392987659.db2.gz BSPUIQKPJPMFBX-GJZGRUSLSA-N 1 2 275.327 1.212 20 30 CDEDLO COC(=O)c1cccc(C[NH+]2CCSCC2)c1C#N ZINC000533776242 393087354 /nfs/dbraw/zinc/08/73/54/393087354.db2.gz XJBNEGOLEHIXKD-UHFFFAOYSA-N 1 2 276.361 1.894 20 30 CDEDLO CCN1CCN(c2ccc(C#N)cn2)C[C@H]1c1[nH]cc[nH+]1 ZINC000530480825 393052165 /nfs/dbraw/zinc/05/21/65/393052165.db2.gz VWTRBNAIGVAZLF-ZDUSSCGKSA-N 1 2 282.351 1.560 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNc2nccc(C#N)c2Cl)C1 ZINC000234359072 140229402 /nfs/dbraw/zinc/22/94/02/140229402.db2.gz FVFDTSZPPAPLCT-JTQLQIEISA-N 1 2 266.732 1.349 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNc2nccc(C#N)c2Cl)C1 ZINC000234359072 140229403 /nfs/dbraw/zinc/22/94/03/140229403.db2.gz FVFDTSZPPAPLCT-JTQLQIEISA-N 1 2 266.732 1.349 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1cc(OC)ccc1OC)C1CC1 ZINC000274172472 397705291 /nfs/dbraw/zinc/70/52/91/397705291.db2.gz NXTJFHSGXNZFBL-UHFFFAOYSA-N 1 2 288.347 1.740 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1cc(OC)ccc1OC)C1CC1 ZINC000274172472 397705293 /nfs/dbraw/zinc/70/52/93/397705293.db2.gz NXTJFHSGXNZFBL-UHFFFAOYSA-N 1 2 288.347 1.740 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000286735193 397970278 /nfs/dbraw/zinc/97/02/78/397970278.db2.gz DFPMTCWYFUGBAW-HNNXBMFYSA-N 1 2 278.327 1.863 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000286735193 397970281 /nfs/dbraw/zinc/97/02/81/397970281.db2.gz DFPMTCWYFUGBAW-HNNXBMFYSA-N 1 2 278.327 1.863 20 30 CDEDLO N#Cc1ccc(C[NH2+]Cc2nnnn2-c2ccccc2)o1 ZINC000343888822 152341275 /nfs/dbraw/zinc/34/12/75/152341275.db2.gz KVISYDSYBFTOBH-UHFFFAOYSA-N 1 2 280.291 1.417 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCc1cccc(C#N)c1 ZINC000346106575 153055136 /nfs/dbraw/zinc/05/51/36/153055136.db2.gz OHTLPEJZGIICPA-ZDUSSCGKSA-N 1 2 297.362 1.685 20 30 CDEDLO Cn1c(CCn2c(N)nc(C#N)c2C#N)[nH+]c2ccccc21 ZINC000346617595 153246870 /nfs/dbraw/zinc/24/68/70/153246870.db2.gz HOKIIOGEVKUIBS-UHFFFAOYSA-N 1 2 291.318 1.168 20 30 CDEDLO COc1cc[nH+]cc1NC(=O)COc1ccccc1C#N ZINC000346705290 153281705 /nfs/dbraw/zinc/28/17/05/153281705.db2.gz KKDCNYNDUFKLSD-UHFFFAOYSA-N 1 2 283.287 1.979 20 30 CDEDLO N#Cc1ccsc1C(=O)NCCNc1cccc[nH+]1 ZINC000353669979 156003139 /nfs/dbraw/zinc/00/31/39/156003139.db2.gz XUZBPWZQQPADHW-UHFFFAOYSA-N 1 2 272.333 1.857 20 30 CDEDLO CCOC(=O)c1cnn(Cc2cn3ccccc3[nH+]2)c1C#N ZINC000354307652 156380330 /nfs/dbraw/zinc/38/03/30/156380330.db2.gz HGYJFSBTQUMDHL-UHFFFAOYSA-N 1 2 295.302 1.627 20 30 CDEDLO N#Cc1ncccc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000358845374 158049558 /nfs/dbraw/zinc/04/95/58/158049558.db2.gz NSCQIBGMUFABOJ-UHFFFAOYSA-N 1 2 294.358 1.981 20 30 CDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCOCC2)cc1Cl ZINC000374026299 160245792 /nfs/dbraw/zinc/24/57/92/160245792.db2.gz DNQQJBSWDSDABZ-UHFFFAOYSA-N 1 2 293.754 1.872 20 30 CDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCOCC2)cc1Cl ZINC000374026299 160245793 /nfs/dbraw/zinc/24/57/93/160245793.db2.gz DNQQJBSWDSDABZ-UHFFFAOYSA-N 1 2 293.754 1.872 20 30 CDEDLO COc1cc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)ccc1C#N ZINC000235012215 165046117 /nfs/dbraw/zinc/04/61/17/165046117.db2.gz MAXWYFKXISWPDU-SMDDNHRTSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1cc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)ccc1C#N ZINC000235012215 165046119 /nfs/dbraw/zinc/04/61/19/165046119.db2.gz MAXWYFKXISWPDU-SMDDNHRTSA-N 1 2 276.336 1.148 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661123659 413811455 /nfs/dbraw/zinc/81/14/55/413811455.db2.gz QPZJRLJBRORLOA-ZIAGYGMSSA-N 1 2 281.400 1.457 20 30 CDEDLO C=CCCC(C)(C)NC(=O)NCC[NH+]1CCOCC1 ZINC000663241202 414078875 /nfs/dbraw/zinc/07/88/75/414078875.db2.gz GXRGPZNRJCKHCO-UHFFFAOYSA-N 1 2 269.389 1.363 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H](CO)CC(F)(F)F)nn1 ZINC000657419139 414306582 /nfs/dbraw/zinc/30/65/82/414306582.db2.gz PYYMANATMSUKEJ-SECBINFHSA-N 1 2 278.278 1.257 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000662168028 414548518 /nfs/dbraw/zinc/54/85/18/414548518.db2.gz PSRSRDRYSWWBTG-GHMZBOCLSA-N 1 2 299.168 1.112 20 30 CDEDLO C=CCN1CC[C@@H]([NH2+][C@H](CO)c2ccc(F)cc2F)C1=O ZINC000662162960 414545068 /nfs/dbraw/zinc/54/50/68/414545068.db2.gz JHWMCOZUBSIWJR-ZIAGYGMSSA-N 1 2 296.317 1.375 20 30 CDEDLO CC(=O)N1CCC[N@H+](Cc2cn3ccccc3c2C#N)CC1 ZINC000071793329 176263987 /nfs/dbraw/zinc/26/39/87/176263987.db2.gz GAIIZNXFARZTDH-UHFFFAOYSA-N 1 2 296.374 1.865 20 30 CDEDLO CC(=O)N1CCC[N@@H+](Cc2cn3ccccc3c2C#N)CC1 ZINC000071793329 176263988 /nfs/dbraw/zinc/26/39/88/176263988.db2.gz GAIIZNXFARZTDH-UHFFFAOYSA-N 1 2 296.374 1.865 20 30 CDEDLO C[C@H](C#N)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001588934550 1173117158 /nfs/dbraw/zinc/11/71/58/1173117158.db2.gz PGKNOQHPDBQZLV-MRVPVSSYSA-N 1 2 260.276 1.255 20 30 CDEDLO Cc1n[nH]c(CCNC(=O)C[NH+]2CCC(C)CC2)n1 ZINC000329104300 227299828 /nfs/dbraw/zinc/29/98/28/227299828.db2.gz NYOPVWWEKYNHDH-UHFFFAOYSA-N 1 2 265.361 1.344 20 30 CDEDLO Cc1ncoc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000329996100 228010746 /nfs/dbraw/zinc/01/07/46/228010746.db2.gz OHJKZCUMFQFTDY-SECBINFHSA-N 1 2 253.302 1.008 20 30 CDEDLO Cc1ncoc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000329996100 228010749 /nfs/dbraw/zinc/01/07/49/228010749.db2.gz OHJKZCUMFQFTDY-SECBINFHSA-N 1 2 253.302 1.008 20 30 CDEDLO O=C(NCc1c[nH+]c[nH]1)[C@H]1CCCN1c1nccs1 ZINC000330012100 228016534 /nfs/dbraw/zinc/01/65/34/228016534.db2.gz KAJQFNGQYQTLKP-SNVBAGLBSA-N 1 2 277.353 1.992 20 30 CDEDLO O=C(NCc1c[nH]c[nH+]1)[C@H]1CCCN1c1nccs1 ZINC000330012100 228016536 /nfs/dbraw/zinc/01/65/36/228016536.db2.gz KAJQFNGQYQTLKP-SNVBAGLBSA-N 1 2 277.353 1.992 20 30 CDEDLO Cc1nccc(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)n1 ZINC000330137801 228047813 /nfs/dbraw/zinc/04/78/13/228047813.db2.gz VDFPTVZCNBCOCI-LLVKDONJSA-N 1 2 286.339 1.554 20 30 CDEDLO Cc1cnccc1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330259808 228083788 /nfs/dbraw/zinc/08/37/88/228083788.db2.gz SGNREGMTSLFWHJ-LLVKDONJSA-N 1 2 271.324 1.349 20 30 CDEDLO Cc1csc2nc(C[NH2+][C@H]3CCC[C@H]3C#N)cc(=O)n12 ZINC000332207592 228151811 /nfs/dbraw/zinc/15/18/11/228151811.db2.gz HVBHGLFVIILBAH-JQWIXIFHSA-N 1 2 288.376 1.846 20 30 CDEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC000332236687 228153042 /nfs/dbraw/zinc/15/30/42/228153042.db2.gz OPPKYHVXRABVLH-GXSJLCMTSA-N 1 2 274.349 1.538 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000333416281 228200115 /nfs/dbraw/zinc/20/01/15/228200115.db2.gz QSZHKSJBNVEBRU-YNEHKIRRSA-N 1 2 287.367 1.752 20 30 CDEDLO CC[C@@H](C)NC(=O)CO[NH+]=C(N)Cc1csc(C)n1 ZINC000049065852 260203493 /nfs/dbraw/zinc/20/34/93/260203493.db2.gz XUFPFSJWAZOQCD-MRVPVSSYSA-N 1 2 284.385 1.198 20 30 CDEDLO CCc1nc(CO[NH+]=C(N)c2ccc(F)c(F)c2)no1 ZINC000067099105 260250866 /nfs/dbraw/zinc/25/08/66/260250866.db2.gz GTEXNYVQZCHIHJ-UHFFFAOYSA-N 1 2 282.250 1.747 20 30 CDEDLO C[NH+](C)[C@H](CNC(=O)CC#N)c1c(F)cccc1F ZINC000153830517 261083395 /nfs/dbraw/zinc/08/33/95/261083395.db2.gz DPUVGZOTKUHLFH-LLVKDONJSA-N 1 2 267.279 1.597 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3ccc(C#N)c(N)n3)CC2)on1 ZINC000517039110 261749402 /nfs/dbraw/zinc/74/94/02/261749402.db2.gz CHLTXFVFFULEHD-UHFFFAOYSA-N 1 2 298.350 1.154 20 30 CDEDLO COC[C@H](C)O[NH+]=C(N)COc1cccc(F)c1 ZINC000186827872 262111269 /nfs/dbraw/zinc/11/12/69/262111269.db2.gz XHQSDCJFOSVVQK-VIFPVBQESA-N 1 2 256.277 1.528 20 30 CDEDLO C#CCCCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000365562401 262370578 /nfs/dbraw/zinc/37/05/78/262370578.db2.gz HRGFITQDQMAIRX-HNNXBMFYSA-N 1 2 278.396 1.550 20 30 CDEDLO C#CCCCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000365562401 262370580 /nfs/dbraw/zinc/37/05/80/262370580.db2.gz HRGFITQDQMAIRX-HNNXBMFYSA-N 1 2 278.396 1.550 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1nnc(C)s1 ZINC000273647834 263018797 /nfs/dbraw/zinc/01/87/97/263018797.db2.gz VQVOWOADMFAMII-VHSXEESVSA-N 1 2 295.412 1.505 20 30 CDEDLO C[C@H]1CCC[C@@](C#N)(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000279431274 263055246 /nfs/dbraw/zinc/05/52/46/263055246.db2.gz MJQICDLCOKSWPT-SMDDNHRTSA-N 1 2 260.341 1.931 20 30 CDEDLO NC(=[NH+]OCC(=O)Nc1cccc(F)c1)[C@H]1CCCO1 ZINC000283854985 263084481 /nfs/dbraw/zinc/08/44/81/263084481.db2.gz CBOSQWGDPLYNKS-LLVKDONJSA-N 1 2 281.287 1.232 20 30 CDEDLO C[C@@H](O[NH+]=C(N)CCO)c1noc(-c2ccccc2)n1 ZINC000284080444 263085687 /nfs/dbraw/zinc/08/56/87/263085687.db2.gz KKJLIVVIWJZZAG-SECBINFHSA-N 1 2 276.296 1.469 20 30 CDEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)[C@H]2CCCO2)cc1 ZINC000284412270 263086970 /nfs/dbraw/zinc/08/69/70/263086970.db2.gz NSHDFMYZGBSCOA-GFCCVEGCSA-N 1 2 277.324 1.401 20 30 CDEDLO N#Cc1ccc(OCCO[NH+]=C(N)[C@H]2CCCO2)cc1 ZINC000284471981 263087156 /nfs/dbraw/zinc/08/71/56/263087156.db2.gz RHMPUJVASVWVEW-CYBMUJFWSA-N 1 2 275.308 1.405 20 30 CDEDLO NC(=[NH+]OCc1nc(-c2ccccc2)no1)[C@@H]1CCCO1 ZINC000284532698 263087468 /nfs/dbraw/zinc/08/74/68/263087468.db2.gz VBVXJZRNFJJMJM-NSHDSACASA-N 1 2 288.307 1.704 20 30 CDEDLO Cn1ncc(CO[NH+]=C(N)Cc2ccccc2Cl)n1 ZINC000289365914 263109746 /nfs/dbraw/zinc/10/97/46/263109746.db2.gz JNENNZSJXZDSNB-UHFFFAOYSA-N 1 2 279.731 1.500 20 30 CDEDLO COCC1(C#N)CC[NH+](CC(=O)N[C@@H](C)C(C)C)CC1 ZINC000341998326 263373965 /nfs/dbraw/zinc/37/39/65/263373965.db2.gz XROVVETXJPTTSY-ZDUSSCGKSA-N 1 2 281.400 1.399 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cn2c(n1)CCCC2 ZINC000328714686 263849614 /nfs/dbraw/zinc/84/96/14/263849614.db2.gz OEUYMMJZDNGIDI-LBPRGKRZSA-N 1 2 292.383 1.245 20 30 CDEDLO CNc1ccccc1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000330691843 264003457 /nfs/dbraw/zinc/00/34/57/264003457.db2.gz AAQQBKZHMYNFKS-LBPRGKRZSA-N 1 2 277.368 1.754 20 30 CDEDLO CO[C@@H]1CC[C@H](NC(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000330977425 264101802 /nfs/dbraw/zinc/10/18/02/264101802.db2.gz FSFCVYLOJZHVAM-WDEREUQCSA-N 1 2 266.345 1.333 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C1=CCOCC1 ZINC000331004106 264105581 /nfs/dbraw/zinc/10/55/81/264105581.db2.gz YHYJTZHCOPAMPN-LLVKDONJSA-N 1 2 254.330 1.010 20 30 CDEDLO N#CCCNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000331123802 264132000 /nfs/dbraw/zinc/13/20/00/264132000.db2.gz CGNZJGAJPHKUAH-UHFFFAOYSA-N 1 2 278.381 1.693 20 30 CDEDLO CCOc1nccc(C)c1C(=O)NCC[NH+]1CCOCC1 ZINC000331220597 264165759 /nfs/dbraw/zinc/16/57/59/264165759.db2.gz UKAWLYPLXZNTOY-UHFFFAOYSA-N 1 2 293.367 1.426 20 30 CDEDLO Cc1cccnc1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000331332161 264192210 /nfs/dbraw/zinc/19/22/10/264192210.db2.gz HVMOTRLMGUTXOH-UHFFFAOYSA-N 1 2 277.368 1.805 20 30 CDEDLO C=CC[C@@H](C)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660681573 423780346 /nfs/dbraw/zinc/78/03/46/423780346.db2.gz QPGWMGHHXDHQRF-OLZOCXBDSA-N 1 2 267.373 1.067 20 30 CDEDLO C=C[C@@H](C)Nc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000663711099 423974967 /nfs/dbraw/zinc/97/49/67/423974967.db2.gz WQHDXLNPJKJMOG-LLVKDONJSA-N 1 2 262.357 1.814 20 30 CDEDLO C=C[C@@H](C)Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663711099 423974976 /nfs/dbraw/zinc/97/49/76/423974976.db2.gz WQHDXLNPJKJMOG-LLVKDONJSA-N 1 2 262.357 1.814 20 30 CDEDLO C=CCCn1cc(C[N@H+](C)CCn2cccn2)nn1 ZINC000653555763 424276233 /nfs/dbraw/zinc/27/62/33/424276233.db2.gz UWDHNELBLNFFEY-UHFFFAOYSA-N 1 2 260.345 1.183 20 30 CDEDLO C=CCCn1cc(C[N@@H+](C)CCn2cccn2)nn1 ZINC000653555763 424276239 /nfs/dbraw/zinc/27/62/39/424276239.db2.gz UWDHNELBLNFFEY-UHFFFAOYSA-N 1 2 260.345 1.183 20 30 CDEDLO C=CCCn1cc(CN(C)[C@H](C)C[NH+]2CCOCC2)nn1 ZINC000653649647 424392002 /nfs/dbraw/zinc/39/20/02/424392002.db2.gz RFYRWQFZHGGFAH-CQSZACIVSA-N 1 2 293.415 1.007 20 30 CDEDLO C=CCCn1cc(C[N@@H+](C)[C@H](C)CN2CCOCC2)nn1 ZINC000653649647 424392006 /nfs/dbraw/zinc/39/20/06/424392006.db2.gz RFYRWQFZHGGFAH-CQSZACIVSA-N 1 2 293.415 1.007 20 30 CDEDLO C=CCCn1cc(C[N@H+](C)[C@H](C)CN2CCOCC2)nn1 ZINC000653649647 424392010 /nfs/dbraw/zinc/39/20/10/424392010.db2.gz RFYRWQFZHGGFAH-CQSZACIVSA-N 1 2 293.415 1.007 20 30 CDEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CC(OC)C1 ZINC000353055324 266026328 /nfs/dbraw/zinc/02/63/28/266026328.db2.gz ZLJCURGTXRBDNX-CQSZACIVSA-N 1 2 277.364 1.485 20 30 CDEDLO C=CCOC[C@@H]([NH2+]CC1(SC)CCC1)C(=O)OC ZINC000356326388 266096397 /nfs/dbraw/zinc/09/63/97/266096397.db2.gz XKBBHIXJMIVTDY-LLVKDONJSA-N 1 2 273.398 1.606 20 30 CDEDLO C=CCCC1(C(=O)NCC[N@@H+]2CCO[C@@H](CC)C2)CC1 ZINC000357102802 266247882 /nfs/dbraw/zinc/24/78/82/266247882.db2.gz CRFYKCAMEUNOPW-AWEZNQCLSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CCCC1(C(=O)NCC[N@H+]2CCO[C@@H](CC)C2)CC1 ZINC000357102802 266247883 /nfs/dbraw/zinc/24/78/83/266247883.db2.gz CRFYKCAMEUNOPW-AWEZNQCLSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CCOc1cccc(C[NH2+]Cc2nnn(C)n2)c1 ZINC000362959583 267066743 /nfs/dbraw/zinc/06/67/43/267066743.db2.gz BHCIJPHIXKMALV-UHFFFAOYSA-N 1 2 259.313 1.065 20 30 CDEDLO C[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)CC2(CCOCC2)O1 ZINC000369283931 267230559 /nfs/dbraw/zinc/23/05/59/267230559.db2.gz PIAACKUUKYOSSA-ZIAGYGMSSA-N 1 2 277.368 1.700 20 30 CDEDLO C[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)CC2(CCOCC2)O1 ZINC000369283931 267230563 /nfs/dbraw/zinc/23/05/63/267230563.db2.gz PIAACKUUKYOSSA-ZIAGYGMSSA-N 1 2 277.368 1.700 20 30 CDEDLO COCc1ccc(NC(=O)CCn2cc[nH+]c2)cc1C#N ZINC000529814857 267496768 /nfs/dbraw/zinc/49/67/68/267496768.db2.gz AKQOZOCHNDMVPZ-UHFFFAOYSA-N 1 2 284.319 1.930 20 30 CDEDLO N#CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CCCC1 ZINC000376936813 268031678 /nfs/dbraw/zinc/03/16/78/268031678.db2.gz GGVONVCJEQZFCU-GFCCVEGCSA-N 1 2 272.352 1.740 20 30 CDEDLO N#Cc1cc(NCCCNc2cccc[nH+]2)ncn1 ZINC000527134793 268171105 /nfs/dbraw/zinc/17/11/05/268171105.db2.gz FBTHQSCRCOXFIU-UHFFFAOYSA-N 1 2 254.297 1.079 20 30 CDEDLO CS[C@H](CO)[C@@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000398983229 270366609 /nfs/dbraw/zinc/36/66/09/270366609.db2.gz GCJHANWGMNPMLJ-BXKDBHETSA-N 1 2 251.355 1.208 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)N(C)Cc1[nH+]ccn1C ZINC000270998512 277845822 /nfs/dbraw/zinc/84/58/22/277845822.db2.gz JPVJKPCOSNMRIG-ZDUSSCGKSA-N 1 2 276.384 1.441 20 30 CDEDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000350896017 288100643 /nfs/dbraw/zinc/10/06/43/288100643.db2.gz MHDWCJCMJNWNPP-NWDGAFQWSA-N 1 2 293.392 1.271 20 30 CDEDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000350896017 288100647 /nfs/dbraw/zinc/10/06/47/288100647.db2.gz MHDWCJCMJNWNPP-NWDGAFQWSA-N 1 2 293.392 1.271 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)Cc1c(F)cccc1C#N ZINC000552415529 290069155 /nfs/dbraw/zinc/06/91/55/290069155.db2.gz KENRLZJQQFVDLQ-UHFFFAOYSA-N 1 2 286.310 1.332 20 30 CDEDLO Cc1cnc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)o1 ZINC000329505690 292919048 /nfs/dbraw/zinc/91/90/48/292919048.db2.gz HKHAEOBHPWQTAY-LBPRGKRZSA-N 1 2 294.355 1.325 20 30 CDEDLO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000329442674 300377247 /nfs/dbraw/zinc/37/72/47/300377247.db2.gz AQYSJIAABGYXPV-WCQGTBRESA-N 1 2 286.397 1.003 20 30 CDEDLO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000329442674 300377249 /nfs/dbraw/zinc/37/72/49/300377249.db2.gz AQYSJIAABGYXPV-WCQGTBRESA-N 1 2 286.397 1.003 20 30 CDEDLO C[C@@H]1CC[C@@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000567995723 328001704 /nfs/dbraw/zinc/00/17/04/328001704.db2.gz TZOKIPXYWUAMKY-YRGRVCCFSA-N 1 2 251.374 1.773 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@@H](C)C#N)CCC2 ZINC000541021824 328039552 /nfs/dbraw/zinc/03/95/52/328039552.db2.gz ZAGATWVFZXTQIU-JQWIXIFHSA-N 1 2 275.356 1.528 20 30 CDEDLO C=C(CC)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000563439482 328065528 /nfs/dbraw/zinc/06/55/28/328065528.db2.gz LXUAOOYGTKQWJN-UHFFFAOYSA-N 1 2 287.363 1.518 20 30 CDEDLO CO[C@@H](C)c1nc(CO[NH+]=C(N)[C@H]2CCCO2)cs1 ZINC000284430231 328245763 /nfs/dbraw/zinc/24/57/63/328245763.db2.gz OPZWQXIZDXKIAO-WCBMZHEXSA-N 1 2 285.369 1.818 20 30 CDEDLO N#CCCCC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000291760453 328266163 /nfs/dbraw/zinc/26/61/63/328266163.db2.gz UOISDLJGRFWXJP-UHFFFAOYSA-N 1 2 287.363 1.730 20 30 CDEDLO C[C@H](C#N)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000340433354 328277050 /nfs/dbraw/zinc/27/70/50/328277050.db2.gz AFLWZDOEIBMQMZ-LLVKDONJSA-N 1 2 254.293 1.573 20 30 CDEDLO COC(=O)N1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000387375693 323766787 /nfs/dbraw/zinc/76/67/87/323766787.db2.gz XMQKHYZZWJQHFR-UHFFFAOYSA-N 1 2 289.335 1.321 20 30 CDEDLO C=CCn1cc(CN[C@H]2C[C@@H](C)n3cc[nH+]c32)nn1 ZINC000569350283 327155401 /nfs/dbraw/zinc/15/54/01/327155401.db2.gz IQRBMTFFDCFCLQ-PWSUYJOCSA-N 1 2 258.329 1.456 20 30 CDEDLO NC(COc1ccc(Cl)cc1Cl)=[NH+]OCCO ZINC000111997713 327283339 /nfs/dbraw/zinc/28/33/39/327283339.db2.gz XUNLDVDDQUAXIS-UHFFFAOYSA-N 1 2 279.123 1.653 20 30 CDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CCCC#N ZINC000360613803 328909314 /nfs/dbraw/zinc/90/93/14/328909314.db2.gz VLAPDJOYGMBKPD-QWHCGFSZSA-N 1 2 265.357 1.002 20 30 CDEDLO CC[N@@H+](CC(=O)N1C[C@H](C)C[C@@H](C)C1)C[C@@H](C)C#N ZINC000228271357 329340396 /nfs/dbraw/zinc/34/03/96/329340396.db2.gz DFYIIWPJGRPTRP-MCIONIFRSA-N 1 2 265.401 1.972 20 30 CDEDLO CC[N@H+](CC(=O)N1C[C@H](C)C[C@@H](C)C1)C[C@@H](C)C#N ZINC000228271357 329340398 /nfs/dbraw/zinc/34/03/98/329340398.db2.gz DFYIIWPJGRPTRP-MCIONIFRSA-N 1 2 265.401 1.972 20 30 CDEDLO N#CCCC1CC[NH+](CC(=O)NCC(F)(F)F)CC1 ZINC000399424389 329453067 /nfs/dbraw/zinc/45/30/67/329453067.db2.gz WCBOLAZTPPQIGY-UHFFFAOYSA-N 1 2 277.290 1.681 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCOc1cccnc1 ZINC000574992320 330127416 /nfs/dbraw/zinc/12/74/16/330127416.db2.gz DPKGEKSJZXOJJL-HNNXBMFYSA-N 1 2 290.367 1.201 20 30 CDEDLO COC(=O)C1([NH2+]CCC(=O)N(C)CCC#N)CCCCC1 ZINC000092797224 330413671 /nfs/dbraw/zinc/41/36/71/330413671.db2.gz YTAARVRQVYQGFQ-UHFFFAOYSA-N 1 2 295.383 1.214 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H](CC)C1CCC1)C(=O)OC ZINC000449299029 330912903 /nfs/dbraw/zinc/91/29/03/330912903.db2.gz KDMKBWQXUYABED-STQMWFEESA-N 1 2 255.358 1.899 20 30 CDEDLO C=CCC[C@H](NC(=O)CCc1c[nH+]c[nH]1)C(=O)OCC ZINC000456606993 331196510 /nfs/dbraw/zinc/19/65/10/331196510.db2.gz LYINLDYJVLCONY-LBPRGKRZSA-N 1 2 279.340 1.356 20 30 CDEDLO C=CCC[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(=O)OCC ZINC000456606993 331196511 /nfs/dbraw/zinc/19/65/11/331196511.db2.gz LYINLDYJVLCONY-LBPRGKRZSA-N 1 2 279.340 1.356 20 30 CDEDLO C=CC(C)(C)CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000458982628 331263717 /nfs/dbraw/zinc/26/37/17/331263717.db2.gz BTHSIQWUNBRCHJ-CYBMUJFWSA-N 1 2 283.416 1.561 20 30 CDEDLO C#CCN(CC)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000490555371 332091280 /nfs/dbraw/zinc/09/12/80/332091280.db2.gz DRLOLXIICCFYTR-UHFFFAOYSA-N 1 2 274.368 1.427 20 30 CDEDLO C#CC[N@H+](CC#CC)CC[S@](=O)c1ccccc1 ZINC000490688471 332103577 /nfs/dbraw/zinc/10/35/77/332103577.db2.gz IVXBBPQNRHSXKX-SFHVURJKSA-N 1 2 259.374 1.753 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC[S@](=O)c1ccccc1 ZINC000490688471 332103579 /nfs/dbraw/zinc/10/35/79/332103579.db2.gz IVXBBPQNRHSXKX-SFHVURJKSA-N 1 2 259.374 1.753 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)N1CCCc2ccccc21 ZINC000491339094 332192867 /nfs/dbraw/zinc/19/28/67/332192867.db2.gz NQYMXOKTEBLLRX-MRXNPFEDSA-N 1 2 298.386 1.690 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)N1CCCc2ccccc21 ZINC000491339094 332192868 /nfs/dbraw/zinc/19/28/68/332192868.db2.gz NQYMXOKTEBLLRX-MRXNPFEDSA-N 1 2 298.386 1.690 20 30 CDEDLO C#C[C@H](C)N(C)c1cc(N2CCSCC2)[nH+]cn1 ZINC000491361508 332196949 /nfs/dbraw/zinc/19/69/49/332196949.db2.gz LLTWJZZWTDISFO-NSHDSACASA-N 1 2 262.382 1.488 20 30 CDEDLO C#C[C@H](C)N(C)c1cc(N2CCSCC2)nc[nH+]1 ZINC000491361508 332196951 /nfs/dbraw/zinc/19/69/51/332196951.db2.gz LLTWJZZWTDISFO-NSHDSACASA-N 1 2 262.382 1.488 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CSC(C)(C)C(C)C)CC1 ZINC000491387693 332202553 /nfs/dbraw/zinc/20/25/53/332202553.db2.gz YLDSLVLJTGJVBN-UHFFFAOYSA-N 1 2 282.453 1.932 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000491484638 332219849 /nfs/dbraw/zinc/21/98/49/332219849.db2.gz KADXDJFWKBAWFR-ZDUSSCGKSA-N 1 2 264.369 1.159 20 30 CDEDLO C#C[C@H](NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21)C(C)C ZINC000491626725 332250289 /nfs/dbraw/zinc/25/02/89/332250289.db2.gz MQOZJLOZIXRISJ-SDDRHHMPSA-N 1 2 260.341 1.846 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)c2nccnc2C1=O)C1CCCCC1 ZINC000491637057 332258021 /nfs/dbraw/zinc/25/80/21/332258021.db2.gz WMYBNPVIYVZECT-UHFFFAOYSA-N 1 2 298.346 1.298 20 30 CDEDLO C#CC[N@H+](CN1C(=O)c2nccnc2C1=O)C1CCCCC1 ZINC000491637057 332258023 /nfs/dbraw/zinc/25/80/23/332258023.db2.gz WMYBNPVIYVZECT-UHFFFAOYSA-N 1 2 298.346 1.298 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CSCC=C(C)C)CC1 ZINC000491657193 332268576 /nfs/dbraw/zinc/26/85/76/332268576.db2.gz JRODUOLCTVVTAM-UHFFFAOYSA-N 1 2 266.410 1.463 20 30 CDEDLO C#C[C@@H]1COCCN1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000491671902 332278774 /nfs/dbraw/zinc/27/87/74/332278774.db2.gz GAGAUSOGXACNDH-CQSZACIVSA-N 1 2 273.336 1.242 20 30 CDEDLO C#CCN(C)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000491734716 332315505 /nfs/dbraw/zinc/31/55/05/332315505.db2.gz NYNKBQXNBMSJOQ-CYBMUJFWSA-N 1 2 295.333 1.842 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000491781728 332345786 /nfs/dbraw/zinc/34/57/86/332345786.db2.gz GXZKLTSSEFSOJM-INIZCTEOSA-N 1 2 284.359 1.981 20 30 CDEDLO C#CC[N@@H+](CC)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000491805517 332358785 /nfs/dbraw/zinc/35/87/85/332358785.db2.gz OIICTAWORIPLNY-UHFFFAOYSA-N 1 2 265.378 1.935 20 30 CDEDLO C#CC[N@H+](CC)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000491805517 332358787 /nfs/dbraw/zinc/35/87/87/332358787.db2.gz OIICTAWORIPLNY-UHFFFAOYSA-N 1 2 265.378 1.935 20 30 CDEDLO C#CCN1CCN(C(=O)C[N@H+]2Cc3ccc(C)cc3C2)CC1 ZINC000491814628 332366061 /nfs/dbraw/zinc/36/60/61/332366061.db2.gz SKTIWKFLYISQMQ-UHFFFAOYSA-N 1 2 297.402 1.088 20 30 CDEDLO C#CCN1CCN(C(=O)C[N@@H+]2Cc3ccc(C)cc3C2)CC1 ZINC000491814628 332366063 /nfs/dbraw/zinc/36/60/63/332366063.db2.gz SKTIWKFLYISQMQ-UHFFFAOYSA-N 1 2 297.402 1.088 20 30 CDEDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1cc(C)nn1CCC#N ZINC000492535594 332401974 /nfs/dbraw/zinc/40/19/74/332401974.db2.gz OGSALFOYVRNRLI-WAYWQWQTSA-N 1 2 298.350 1.974 20 30 CDEDLO C[C@H](C#N)OCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496982303 332566406 /nfs/dbraw/zinc/56/64/06/332566406.db2.gz WQUCFQPKCIRSQO-GFCCVEGCSA-N 1 2 283.372 1.468 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ocnc1C1CC1 ZINC000521255075 333116434 /nfs/dbraw/zinc/11/64/34/333116434.db2.gz WMRMXHALGXIMOM-ZDUSSCGKSA-N 1 2 262.313 1.126 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC000192233574 333232959 /nfs/dbraw/zinc/23/29/59/333232959.db2.gz SVTQZSNRSFPODW-UONOGXRCSA-N 1 2 266.385 1.263 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC000192233574 333232961 /nfs/dbraw/zinc/23/29/61/333232961.db2.gz SVTQZSNRSFPODW-UONOGXRCSA-N 1 2 266.385 1.263 20 30 CDEDLO C#CC[N@@H+](C)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000192226659 333233271 /nfs/dbraw/zinc/23/32/71/333233271.db2.gz JWRHEKNTAQAPPH-CQSZACIVSA-N 1 2 260.312 1.886 20 30 CDEDLO C#CC[N@H+](C)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000192226659 333233273 /nfs/dbraw/zinc/23/32/73/333233273.db2.gz JWRHEKNTAQAPPH-CQSZACIVSA-N 1 2 260.312 1.886 20 30 CDEDLO C[C@@H](C#N)CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000541947431 333803094 /nfs/dbraw/zinc/80/30/94/333803094.db2.gz DZVMXWWKWLEGLB-NSHDSACASA-N 1 2 261.329 1.389 20 30 CDEDLO Cc1noc([C@H](C)[N@H+](C)CCC(=O)N(C)CCC#N)n1 ZINC000576237952 335175964 /nfs/dbraw/zinc/17/59/64/335175964.db2.gz OHVRZHPOTPHXSG-JTQLQIEISA-N 1 2 279.344 1.133 20 30 CDEDLO Cc1noc([C@H](C)[N@@H+](C)CCC(=O)N(C)CCC#N)n1 ZINC000576237952 335175965 /nfs/dbraw/zinc/17/59/65/335175965.db2.gz OHVRZHPOTPHXSG-JTQLQIEISA-N 1 2 279.344 1.133 20 30 CDEDLO C[C@@](O)(C1CC[NH+](CCC#N)CC1)C(F)(F)F ZINC000547344728 334081753 /nfs/dbraw/zinc/08/17/53/334081753.db2.gz UHNBMHQJLCBDMY-SNVBAGLBSA-N 1 2 250.264 1.925 20 30 CDEDLO N#CCc1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000548310500 334150336 /nfs/dbraw/zinc/15/03/36/334150336.db2.gz XADAKEGPDYCBLE-AWEZNQCLSA-N 1 2 280.331 1.694 20 30 CDEDLO Cc1c[nH]c(C(C)(C)NC(=O)CSCC#N)[nH+]1 ZINC000564739253 334518681 /nfs/dbraw/zinc/51/86/81/334518681.db2.gz XNIXWUSDWAIENF-UHFFFAOYSA-N 1 2 252.343 1.326 20 30 CDEDLO CC(C)c1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)n(C)n1 ZINC000567506700 334726955 /nfs/dbraw/zinc/72/69/55/334726955.db2.gz ZTIBEYYESGXNKL-AWEZNQCLSA-N 1 2 277.372 1.117 20 30 CDEDLO C=CCCn1cc(C(=O)NC(C)(C)c2[nH]cc(C)[nH+]2)nn1 ZINC000578995793 335697431 /nfs/dbraw/zinc/69/74/31/335697431.db2.gz VUWPNLKAPOCQPP-UHFFFAOYSA-N 1 2 288.355 1.551 20 30 CDEDLO C#CCN1CC[NH+](CCNC(=O)C(C)=C2CCCC2)CC1 ZINC001752365339 1159526016 /nfs/dbraw/zinc/52/60/16/1159526016.db2.gz ZMJDXRVVFSVQCY-UHFFFAOYSA-N 1 2 289.423 1.244 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccnn2C)[C@H]1C ZINC001088489963 1160451931 /nfs/dbraw/zinc/45/19/31/1160451931.db2.gz AEPNHAIINJUASL-MNOVXSKESA-N 1 2 282.775 1.365 20 30 CDEDLO C=CC1CCN(c2cc(NC[C@H](C)O)[nH+]cn2)CC1 ZINC000665700628 482475841 /nfs/dbraw/zinc/47/58/41/482475841.db2.gz NALWDBBXMKXYEZ-NSHDSACASA-N 1 2 262.357 1.672 20 30 CDEDLO C=CC1CCN(c2cc(NC[C@H](C)O)nc[nH+]2)CC1 ZINC000665700628 482475844 /nfs/dbraw/zinc/47/58/44/482475844.db2.gz NALWDBBXMKXYEZ-NSHDSACASA-N 1 2 262.357 1.672 20 30 CDEDLO C=CCOc1ccccc1C[N@@H+](C)CC(=O)NCC ZINC000678193326 482978413 /nfs/dbraw/zinc/97/84/13/482978413.db2.gz ZMXFYFDUKATAFH-UHFFFAOYSA-N 1 2 262.353 1.819 20 30 CDEDLO C=CCOc1ccccc1C[N@H+](C)CC(=O)NCC ZINC000678193326 482978420 /nfs/dbraw/zinc/97/84/20/482978420.db2.gz ZMXFYFDUKATAFH-UHFFFAOYSA-N 1 2 262.353 1.819 20 30 CDEDLO C=CCCS(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000675755611 483362684 /nfs/dbraw/zinc/36/26/84/483362684.db2.gz NOFBQVJCSHRYLF-LBPRGKRZSA-N 1 2 269.370 1.426 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[NH2+]Cc1nc(CCC)no1 ZINC001128242367 1161461960 /nfs/dbraw/zinc/46/19/60/1161461960.db2.gz OMODMBGSJPZDRM-UHFFFAOYSA-N 1 2 294.399 1.830 20 30 CDEDLO C[C@@H]1C[C@H](CNC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000330193738 533829162 /nfs/dbraw/zinc/82/91/62/533829162.db2.gz OJIOBYWQJVFPCI-JHJVBQTASA-N 1 2 292.383 1.517 20 30 CDEDLO C[C@@H]1C[C@H](C[NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000330193738 533829168 /nfs/dbraw/zinc/82/91/68/533829168.db2.gz OJIOBYWQJVFPCI-JHJVBQTASA-N 1 2 292.383 1.517 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ncccc1O ZINC001085562771 1161945750 /nfs/dbraw/zinc/94/57/50/1161945750.db2.gz UOYCQSVOQCWHOU-NSHDSACASA-N 1 2 261.325 1.120 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncccc1O ZINC001085562771 1161945755 /nfs/dbraw/zinc/94/57/55/1161945755.db2.gz UOYCQSVOQCWHOU-NSHDSACASA-N 1 2 261.325 1.120 20 30 CDEDLO C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001755363896 1185928586 /nfs/dbraw/zinc/92/85/86/1185928586.db2.gz OQWZYVSGGUCRAF-QWRGUYRKSA-N 1 2 294.292 1.881 20 30 CDEDLO N#Cc1csc(C[NH+]2CCN(c3cnccn3)CC2)c1 ZINC000157944311 526782263 /nfs/dbraw/zinc/78/22/63/526782263.db2.gz UONOFPOFQILWQS-UHFFFAOYSA-N 1 2 285.376 1.732 20 30 CDEDLO C=CCCC1(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000355806280 527093841 /nfs/dbraw/zinc/09/38/41/527093841.db2.gz WGWOCZWJLQWDJB-AWEZNQCLSA-N 1 2 279.428 1.485 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347355816 527633703 /nfs/dbraw/zinc/63/37/03/527633703.db2.gz TVYGXMSPERMSOB-ZFWWWQNUSA-N 1 2 284.375 1.372 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347355816 527633707 /nfs/dbraw/zinc/63/37/07/527633707.db2.gz TVYGXMSPERMSOB-ZFWWWQNUSA-N 1 2 284.375 1.372 20 30 CDEDLO CC(C)CN1CC[N@H+](CCC(C)(C)C#N)CC1=O ZINC000347195343 528005414 /nfs/dbraw/zinc/00/54/14/528005414.db2.gz JRXJCDNOKDQFRR-UHFFFAOYSA-N 1 2 251.374 1.726 20 30 CDEDLO CC(C)CN1CC[N@@H+](CCC(C)(C)C#N)CC1=O ZINC000347195343 528005416 /nfs/dbraw/zinc/00/54/16/528005416.db2.gz JRXJCDNOKDQFRR-UHFFFAOYSA-N 1 2 251.374 1.726 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(F)C1 ZINC000347397248 528853581 /nfs/dbraw/zinc/85/35/81/528853581.db2.gz YZRXOOPMISGCCK-KWCYVHTRSA-N 1 2 269.364 1.863 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@](C)(F)C1 ZINC000347397248 528853588 /nfs/dbraw/zinc/85/35/88/528853588.db2.gz YZRXOOPMISGCCK-KWCYVHTRSA-N 1 2 269.364 1.863 20 30 CDEDLO CCC[C@@H]([NH2+]C(C)C)C(=O)N=c1ccn(CCC#N)[nH]1 ZINC000353822937 528995617 /nfs/dbraw/zinc/99/56/17/528995617.db2.gz GDTLSASMSRZNTK-GFCCVEGCSA-N 1 2 277.372 1.324 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)NCC1(CO)CCC1 ZINC000328846520 545523835 /nfs/dbraw/zinc/52/38/35/545523835.db2.gz QLVJCUNWURAUBN-UHFFFAOYSA-N 1 2 251.330 1.472 20 30 CDEDLO C[C@H](CNC(=O)c1cccnc1C1CC1)[NH+]1CCOCC1 ZINC000329560526 538583452 /nfs/dbraw/zinc/58/34/52/538583452.db2.gz MIYLUCFKIVXTHZ-GFCCVEGCSA-N 1 2 289.379 1.984 20 30 CDEDLO C=CC[NH+](CC=C)Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000726067913 574490681 /nfs/dbraw/zinc/49/06/81/574490681.db2.gz RCZKFMMZSKIUQJ-UHFFFAOYSA-N 1 2 284.381 1.704 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000730275795 574907473 /nfs/dbraw/zinc/90/74/73/574907473.db2.gz YTCHMYPHEOCOOC-LBPRGKRZSA-N 1 2 285.303 1.570 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000730275795 574907475 /nfs/dbraw/zinc/90/74/75/574907475.db2.gz YTCHMYPHEOCOOC-LBPRGKRZSA-N 1 2 285.303 1.570 20 30 CDEDLO N#CC1(C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)CCOCC1 ZINC000731487074 575051616 /nfs/dbraw/zinc/05/16/16/575051616.db2.gz CQAZKVZNHYKHAE-UHFFFAOYSA-N 1 2 297.318 1.526 20 30 CDEDLO CN(C)C(=S)N[NH+]=Cc1ccc(N(C)C)c(F)c1 ZINC000731561192 575055134 /nfs/dbraw/zinc/05/51/34/575055134.db2.gz SEJQPPGNVCPTRN-UHFFFAOYSA-N 1 2 268.361 1.662 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N(C)C)cc1 ZINC000731605364 575056711 /nfs/dbraw/zinc/05/67/11/575056711.db2.gz KYFHOSLMLKTDIP-HNNXBMFYSA-N 1 2 271.364 1.789 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N(C)C)cc1 ZINC000731605364 575056712 /nfs/dbraw/zinc/05/67/12/575056712.db2.gz KYFHOSLMLKTDIP-HNNXBMFYSA-N 1 2 271.364 1.789 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)[C@H](CC)OC2CCCC2)CC1 ZINC000733162733 575102445 /nfs/dbraw/zinc/10/24/45/575102445.db2.gz RZICBNVNWAQPPT-HNNXBMFYSA-N 1 2 278.396 1.502 20 30 CDEDLO C#CCCCNC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000743693100 576651364 /nfs/dbraw/zinc/65/13/64/576651364.db2.gz CGRVTWWEAOMPCK-UHFFFAOYSA-N 1 2 270.336 1.855 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000769960991 575403579 /nfs/dbraw/zinc/40/35/79/575403579.db2.gz KACKFODXWHKTHX-LBPRGKRZSA-N 1 2 280.331 1.374 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000769960991 575403582 /nfs/dbraw/zinc/40/35/82/575403582.db2.gz KACKFODXWHKTHX-LBPRGKRZSA-N 1 2 280.331 1.374 20 30 CDEDLO CC(C)C1(O)C[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000773891216 575843354 /nfs/dbraw/zinc/84/33/54/575843354.db2.gz QJISGJUIPGGTQL-CYBMUJFWSA-N 1 2 293.411 1.420 20 30 CDEDLO CC(=NNS(C)(=O)=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000764700512 575935496 /nfs/dbraw/zinc/93/54/96/575935496.db2.gz LJHZADPVCVOSTJ-UHFFFAOYSA-N 1 2 278.337 1.146 20 30 CDEDLO C#C[C@@H](C)N(C)c1nc(N(C)[C@@H](C)C#C)[nH+]cc1C ZINC000767439555 576193262 /nfs/dbraw/zinc/19/32/62/576193262.db2.gz JUFHMXSXTSNYPJ-OLZOCXBDSA-N 1 2 256.353 1.701 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2oc(CC)cc2C)CC1 ZINC000767898234 576236689 /nfs/dbraw/zinc/23/66/89/576236689.db2.gz DDILOYJTAAQLNO-UHFFFAOYSA-N 1 2 274.364 1.932 20 30 CDEDLO N#CCCNC(=O)C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000768815133 576309982 /nfs/dbraw/zinc/30/99/82/576309982.db2.gz MCTOYXPHNANMQA-UHFFFAOYSA-N 1 2 261.300 1.214 20 30 CDEDLO N#CCCNC(=O)C[N@H+]1CCc2cc(F)ccc2C1 ZINC000768815133 576309983 /nfs/dbraw/zinc/30/99/83/576309983.db2.gz MCTOYXPHNANMQA-UHFFFAOYSA-N 1 2 261.300 1.214 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cn[nH]c2)c1 ZINC000768915891 576317259 /nfs/dbraw/zinc/31/72/59/576317259.db2.gz QAKGLXQMGROHDE-UHFFFAOYSA-N 1 2 268.320 1.462 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cn[nH]c2)c1 ZINC000768915891 576317260 /nfs/dbraw/zinc/31/72/60/576317260.db2.gz QAKGLXQMGROHDE-UHFFFAOYSA-N 1 2 268.320 1.462 20 30 CDEDLO N#CCCNC(=O)C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000769228209 576339155 /nfs/dbraw/zinc/33/91/55/576339155.db2.gz LYPHBDREJKYDHL-NSHDSACASA-N 1 2 293.317 1.784 20 30 CDEDLO N#CCCNC(=O)C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000769228209 576339157 /nfs/dbraw/zinc/33/91/57/576339157.db2.gz LYPHBDREJKYDHL-NSHDSACASA-N 1 2 293.317 1.784 20 30 CDEDLO C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC[S@@]1=O ZINC000759867885 576438751 /nfs/dbraw/zinc/43/87/51/576438751.db2.gz KGWPIPPPUXSNML-URFZZILJSA-N 1 2 292.404 1.435 20 30 CDEDLO C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC[S@@]1=O ZINC000759867885 576438753 /nfs/dbraw/zinc/43/87/53/576438753.db2.gz KGWPIPPPUXSNML-URFZZILJSA-N 1 2 292.404 1.435 20 30 CDEDLO C=CCC[C@H](O)C[NH2+][C@H](C(=O)OCC)C(C)(C)C ZINC000760917284 576524853 /nfs/dbraw/zinc/52/48/53/576524853.db2.gz USVMDIIKXKHYRP-NWDGAFQWSA-N 1 2 257.374 1.881 20 30 CDEDLO Cn1cc(N[NH+]=Cc2ccc(N3CCCC3)nc2)cn1 ZINC000761865048 576599947 /nfs/dbraw/zinc/59/99/47/576599947.db2.gz KLEVVQAFEFSSPK-UHFFFAOYSA-N 1 2 270.340 1.861 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)CSC(C)C)CC1 ZINC000744366184 576677257 /nfs/dbraw/zinc/67/72/57/576677257.db2.gz GCCSWZAVZQRDDU-UHFFFAOYSA-N 1 2 254.399 1.296 20 30 CDEDLO C#Cc1ccc(C(=O)Nc2cc(C)[nH+]cc2C)nc1 ZINC000747110988 576859133 /nfs/dbraw/zinc/85/91/33/576859133.db2.gz CLUBBQQBEMTTHO-UHFFFAOYSA-N 1 2 251.289 1.749 20 30 CDEDLO C#CC(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000753967638 576870787 /nfs/dbraw/zinc/87/07/87/576870787.db2.gz GCOYRVWQZRPVBO-UHFFFAOYSA-N 1 2 271.364 1.396 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCSC1 ZINC000748734435 576922383 /nfs/dbraw/zinc/92/23/83/576922383.db2.gz HDKFYGIDOIXUAC-NEPJUHHUSA-N 1 2 252.383 1.096 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCSC1 ZINC000748734435 576922385 /nfs/dbraw/zinc/92/23/85/576922385.db2.gz HDKFYGIDOIXUAC-NEPJUHHUSA-N 1 2 252.383 1.096 20 30 CDEDLO Cc1ccc2[nH+]cc(C=NNC(=S)NC3CC3)n2c1 ZINC000755524894 576948633 /nfs/dbraw/zinc/94/86/33/576948633.db2.gz POKILMXYGGBLJD-UHFFFAOYSA-N 1 2 273.365 1.603 20 30 CDEDLO c1[nH]c(CN=Nc2nc(-c3ccccc3)no2)c[nH+]1 ZINC000755684012 576955237 /nfs/dbraw/zinc/95/52/37/576955237.db2.gz YFFIICIXWGOGTE-UHFFFAOYSA-N 1 2 254.253 1.906 20 30 CDEDLO c1[nH]cc(CN=Nc2nc(-c3ccccc3)no2)[nH+]1 ZINC000755684012 576955238 /nfs/dbraw/zinc/95/52/38/576955238.db2.gz YFFIICIXWGOGTE-UHFFFAOYSA-N 1 2 254.253 1.906 20 30 CDEDLO Cc1[nH]c[nH+]c1C=NNC(=S)NCC1CCC1 ZINC000755688721 576955552 /nfs/dbraw/zinc/95/55/52/576955552.db2.gz DCWJHTXFTQSYDO-UHFFFAOYSA-N 1 2 251.359 1.316 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)nc1 ZINC000756130242 576978574 /nfs/dbraw/zinc/97/85/74/576978574.db2.gz GHIKCBVITSMBLH-ZDUSSCGKSA-N 1 2 280.331 1.426 20 30 CDEDLO CC(C)C(=NNC(=S)NCC[NH+]1CCOCC1)C1CC1 ZINC000750918501 577015874 /nfs/dbraw/zinc/01/58/74/577015874.db2.gz LLIGPFUEHWAATO-UHFFFAOYSA-N 1 2 298.456 1.205 20 30 CDEDLO COc1cccc(O)c1/C=N\CC[N@@H+]1CCO[C@H](C)C1 ZINC000750950447 577019038 /nfs/dbraw/zinc/01/90/38/577019038.db2.gz VPQINPPMEHVHPT-YUSFRKCESA-N 1 2 278.352 1.540 20 30 CDEDLO COc1cccc(O)c1/C=N\CC[N@H+]1CCO[C@H](C)C1 ZINC000750950447 577019040 /nfs/dbraw/zinc/01/90/40/577019040.db2.gz VPQINPPMEHVHPT-YUSFRKCESA-N 1 2 278.352 1.540 20 30 CDEDLO COc1cc(C)[nH+]c(COC(=O)c2cc(C#N)c[nH]2)c1 ZINC000757711911 577051603 /nfs/dbraw/zinc/05/16/03/577051603.db2.gz DSIKQUIFCOJPER-UHFFFAOYSA-N 1 2 271.276 1.955 20 30 CDEDLO C#CCNC(=S)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000758194965 577079881 /nfs/dbraw/zinc/07/98/81/577079881.db2.gz WROMQGFDYSJVME-UHFFFAOYSA-N 1 2 276.409 1.525 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(CC)nnc2C)CC1 ZINC000759023650 577148810 /nfs/dbraw/zinc/14/88/10/577148810.db2.gz DLDMCAGSOQRKCS-UHFFFAOYSA-N 1 2 286.379 1.129 20 30 CDEDLO C=C1C[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000899899733 622513700 /nfs/dbraw/zinc/51/37/00/622513700.db2.gz AYGWNFHBAAHGGK-NSHDSACASA-N 1 2 256.346 1.134 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnc3n[nH]cc3c2)C1 ZINC000950601580 612992835 /nfs/dbraw/zinc/99/28/35/612992835.db2.gz PMFFLGJJXQJGDU-UHFFFAOYSA-N 1 2 297.362 1.128 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2onc(C)c2C)CC1 ZINC000981412820 613160312 /nfs/dbraw/zinc/16/03/12/613160312.db2.gz XIHWAUKOBUYYIN-UHFFFAOYSA-N 1 2 261.325 1.073 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2onc(C)c2C)CC1 ZINC000981412820 613160313 /nfs/dbraw/zinc/16/03/13/613160313.db2.gz XIHWAUKOBUYYIN-UHFFFAOYSA-N 1 2 261.325 1.073 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C3CC(C)C3)CC2)C1 ZINC000949338867 613210166 /nfs/dbraw/zinc/21/01/66/613210166.db2.gz VBVYUSAICNLLKK-UHFFFAOYSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C3CC(C)C3)CC2)C1 ZINC000949338867 613210168 /nfs/dbraw/zinc/21/01/68/613210168.db2.gz VBVYUSAICNLLKK-UHFFFAOYSA-N 1 2 290.407 1.359 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@@H+]([C@H](C)C(=O)NC)CC1 ZINC000981741218 613240479 /nfs/dbraw/zinc/24/04/79/613240479.db2.gz VUKSVAOWBDNZLO-CYBMUJFWSA-N 1 2 295.427 1.258 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@H+]([C@H](C)C(=O)NC)CC1 ZINC000981741218 613240481 /nfs/dbraw/zinc/24/04/81/613240481.db2.gz VUKSVAOWBDNZLO-CYBMUJFWSA-N 1 2 295.427 1.258 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@]23C[C@H]2COC3)C1 ZINC000950374371 613295078 /nfs/dbraw/zinc/29/50/78/613295078.db2.gz ZCIQLCWDVTVFSZ-WFASDCNBSA-N 1 2 264.369 1.132 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc(OCC)nc2)CC1 ZINC000948627057 613320865 /nfs/dbraw/zinc/32/08/65/613320865.db2.gz FYOACLMLDPTWKD-UHFFFAOYSA-N 1 2 289.379 1.814 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(C)n[nH]2)C1 ZINC000969349988 613371784 /nfs/dbraw/zinc/37/17/84/613371784.db2.gz WIIHBLFTQBWNBE-SNVBAGLBSA-N 1 2 282.775 1.521 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccncn2)C(C)(C)C1 ZINC000977337559 613381319 /nfs/dbraw/zinc/38/13/19/613381319.db2.gz KMVHIVFSCQZIGS-LBPRGKRZSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccncn2)C(C)(C)C1 ZINC000977337559 613381320 /nfs/dbraw/zinc/38/13/20/613381320.db2.gz KMVHIVFSCQZIGS-LBPRGKRZSA-N 1 2 294.786 1.669 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2ccns2)CC1 ZINC000981265749 613554931 /nfs/dbraw/zinc/55/49/31/613554931.db2.gz HNTVPVSCXZJXMC-UHFFFAOYSA-N 1 2 263.366 1.314 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2ccns2)CC1 ZINC000981265749 613554933 /nfs/dbraw/zinc/55/49/33/613554933.db2.gz HNTVPVSCXZJXMC-UHFFFAOYSA-N 1 2 263.366 1.314 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2csc(CC)n2)CC1 ZINC000957763199 613710149 /nfs/dbraw/zinc/71/01/49/613710149.db2.gz JKYMCZNHVIENTE-UHFFFAOYSA-N 1 2 279.409 1.578 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 ZINC000950640733 613711911 /nfs/dbraw/zinc/71/19/11/613711911.db2.gz YYPVVTXWCIHBTO-LSDHHAIUSA-N 1 2 271.364 1.515 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)n2c(C)ccc2C)CC1 ZINC000957773291 613712491 /nfs/dbraw/zinc/71/24/91/613712491.db2.gz LYGFNVDENNOONU-HNNXBMFYSA-N 1 2 275.396 1.996 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc3c([nH]2)CCOC3)CC1 ZINC000948708922 613715307 /nfs/dbraw/zinc/71/53/07/613715307.db2.gz FYWGNACWSPSCDV-UHFFFAOYSA-N 1 2 275.352 1.031 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3n[nH]cc3c2)CC1 ZINC000949912455 613716471 /nfs/dbraw/zinc/71/64/71/613716471.db2.gz YFGRLMKLUZLIQW-UHFFFAOYSA-N 1 2 270.336 1.507 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)on3)C2)C1 ZINC000972246047 613726102 /nfs/dbraw/zinc/72/61/02/613726102.db2.gz GESNLYQXBSSOMH-OAHLLOKOSA-N 1 2 291.351 1.086 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)on3)C2)C1 ZINC000972246047 613726105 /nfs/dbraw/zinc/72/61/05/613726105.db2.gz GESNLYQXBSSOMH-OAHLLOKOSA-N 1 2 291.351 1.086 20 30 CDEDLO C=C1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000892838357 617815512 /nfs/dbraw/zinc/81/55/12/617815512.db2.gz MXYZBAHXPHWDAR-UONOGXRCSA-N 1 2 281.400 1.457 20 30 CDEDLO CC(C)(C)OC(=O)NC[C@](C)(O)C[N@@H+]1CCC[C@H](C#N)C1 ZINC000932155027 617954618 /nfs/dbraw/zinc/95/46/18/617954618.db2.gz VMOXRDSUDTUVKC-DOMZBBRYSA-N 1 2 297.399 1.498 20 30 CDEDLO CC(C)(C)OC(=O)NC[C@](C)(O)C[N@H+]1CCC[C@H](C#N)C1 ZINC000932155027 617954627 /nfs/dbraw/zinc/95/46/27/617954627.db2.gz VMOXRDSUDTUVKC-DOMZBBRYSA-N 1 2 297.399 1.498 20 30 CDEDLO Cc1cc(C#N)nc(NCC2([NH+]3CCOCC3)CC2)c1 ZINC000893511722 618013498 /nfs/dbraw/zinc/01/34/98/618013498.db2.gz GDFBMXVJUDACKM-UHFFFAOYSA-N 1 2 272.352 1.538 20 30 CDEDLO C=CC[C@H](CO)CNc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000893096927 618164274 /nfs/dbraw/zinc/16/42/74/618164274.db2.gz WSSCPGYNMOIOFA-RYUDHWBXSA-N 1 2 280.372 1.256 20 30 CDEDLO C=CC[C@H](CO)CNc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000893096927 618164287 /nfs/dbraw/zinc/16/42/87/618164287.db2.gz WSSCPGYNMOIOFA-RYUDHWBXSA-N 1 2 280.372 1.256 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)C[C@H]1[C@@H](C(=O)OC)C1(F)F ZINC000893994895 618236407 /nfs/dbraw/zinc/23/64/07/618236407.db2.gz LWQZLJNUYQEVCC-UTLUCORTSA-N 1 2 260.284 1.522 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)C[C@H]1[C@@H](C(=O)OC)C1(F)F ZINC000893994895 618236411 /nfs/dbraw/zinc/23/64/11/618236411.db2.gz LWQZLJNUYQEVCC-UTLUCORTSA-N 1 2 260.284 1.522 20 30 CDEDLO Cc1ncoc1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000894468381 618904961 /nfs/dbraw/zinc/90/49/61/618904961.db2.gz UCXLFTNWNMWYSM-UHFFFAOYSA-N 1 2 283.335 1.572 20 30 CDEDLO CCn1c[nH+]c2c1CCN(c1cc(C#N)ccn1)C2 ZINC000896660148 620181381 /nfs/dbraw/zinc/18/13/81/620181381.db2.gz SHGKYJGKJGTTNL-UHFFFAOYSA-N 1 2 253.309 1.732 20 30 CDEDLO C#C[C@H](CC)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897555334 620989814 /nfs/dbraw/zinc/98/98/14/620989814.db2.gz PUGFJBUCNQOWAM-ZWNOBZJWSA-N 1 2 260.341 1.318 20 30 CDEDLO C#C[C@H](CC)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897555334 620989818 /nfs/dbraw/zinc/98/98/18/620989818.db2.gz PUGFJBUCNQOWAM-ZWNOBZJWSA-N 1 2 260.341 1.318 20 30 CDEDLO C#Cc1ccc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000897600971 621016874 /nfs/dbraw/zinc/01/68/74/621016874.db2.gz YOYNJQKWGRELRZ-CQSZACIVSA-N 1 2 286.375 1.461 20 30 CDEDLO C=C(C)CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000897898259 621204436 /nfs/dbraw/zinc/20/44/36/621204436.db2.gz DCLCVVVAKARAAC-ZDUSSCGKSA-N 1 2 262.357 1.872 20 30 CDEDLO C=C(C)CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897898259 621204441 /nfs/dbraw/zinc/20/44/41/621204441.db2.gz DCLCVVVAKARAAC-ZDUSSCGKSA-N 1 2 262.357 1.872 20 30 CDEDLO Cc1cc(C)c(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(C)[nH+]1 ZINC000906662475 627363047 /nfs/dbraw/zinc/36/30/47/627363047.db2.gz WYBDGXKALRUEPY-OAHLLOKOSA-N 1 2 298.390 1.819 20 30 CDEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000908658427 628319052 /nfs/dbraw/zinc/31/90/52/628319052.db2.gz BWBHTVMJBINTRQ-CYBMUJFWSA-N 1 2 275.352 1.869 20 30 CDEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000908658427 628319055 /nfs/dbraw/zinc/31/90/55/628319055.db2.gz BWBHTVMJBINTRQ-CYBMUJFWSA-N 1 2 275.352 1.869 20 30 CDEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1=S ZINC000151242964 630433957 /nfs/dbraw/zinc/43/39/57/630433957.db2.gz LGVIBGSSZMHETL-CQSZACIVSA-N 1 2 294.424 1.978 20 30 CDEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@@]3(CCOC3)C2)c1=S ZINC000151242964 630433959 /nfs/dbraw/zinc/43/39/59/630433959.db2.gz LGVIBGSSZMHETL-CQSZACIVSA-N 1 2 294.424 1.978 20 30 CDEDLO C#CC[C@H](CO)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000914420106 631421647 /nfs/dbraw/zinc/42/16/47/631421647.db2.gz JKWQJFGMZTVSCQ-CQSZACIVSA-N 1 2 298.346 1.056 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccc(F)cn2)C1 ZINC001030543127 695213998 /nfs/dbraw/zinc/21/39/98/695213998.db2.gz VXCVNFGTFCSWGX-UHFFFAOYSA-N 1 2 263.316 1.140 20 30 CDEDLO C[C@@H]1CN(C(=O)c2cc(O)cc(C#N)c2)CC[N@H+]1C ZINC000809694567 695454009 /nfs/dbraw/zinc/45/40/09/695454009.db2.gz PQOAAHDNNIIGHI-SNVBAGLBSA-N 1 2 259.309 1.040 20 30 CDEDLO C#CCC[NH+]1CCN(S(=O)(=O)C[C@H](C)CCC)CC1 ZINC000113283173 695839570 /nfs/dbraw/zinc/83/95/70/695839570.db2.gz KKBWTJSSVPDBGQ-CQSZACIVSA-N 1 2 286.441 1.393 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(C#N)oc1C ZINC000874707777 695197881 /nfs/dbraw/zinc/19/78/81/695197881.db2.gz FAIFWDCYHKXFRC-GFCCVEGCSA-N 1 2 291.351 1.300 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(C#N)oc1C ZINC000874707777 695197890 /nfs/dbraw/zinc/19/78/90/695197890.db2.gz FAIFWDCYHKXFRC-GFCCVEGCSA-N 1 2 291.351 1.300 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)nn(CC)c1Cl ZINC001039035053 695200847 /nfs/dbraw/zinc/20/08/47/695200847.db2.gz GUGKVIRGSFPPJA-NSHDSACASA-N 1 2 294.786 1.302 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)nn(CC)c1Cl ZINC001039035053 695200853 /nfs/dbraw/zinc/20/08/53/695200853.db2.gz GUGKVIRGSFPPJA-NSHDSACASA-N 1 2 294.786 1.302 20 30 CDEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)/C(C)=C/C)C2)CC1 ZINC001052010089 695203892 /nfs/dbraw/zinc/20/38/92/695203892.db2.gz SONTYCGOUNHENG-HSUWOCHWSA-N 1 2 291.439 1.747 20 30 CDEDLO Cc1nc(C(C)(C)[NH2+]C[C@H](O)CC2(C#N)CCC2)no1 ZINC000886064080 695239924 /nfs/dbraw/zinc/23/99/24/695239924.db2.gz AMQHDISMKKPUOT-LLVKDONJSA-N 1 2 278.356 1.648 20 30 CDEDLO CC(F)(F)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004327503 695263630 /nfs/dbraw/zinc/26/36/30/695263630.db2.gz RDWPASTZBZDGBI-LBPRGKRZSA-N 1 2 285.338 1.868 20 30 CDEDLO CC(F)(F)C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004327503 695263637 /nfs/dbraw/zinc/26/36/37/695263637.db2.gz RDWPASTZBZDGBI-LBPRGKRZSA-N 1 2 285.338 1.868 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncc(C)cc1C ZINC001038546870 695277877 /nfs/dbraw/zinc/27/78/77/695277877.db2.gz RUVBNFBXTZFOAW-CYBMUJFWSA-N 1 2 257.337 1.136 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncc(C)cc1C ZINC001038546870 695277881 /nfs/dbraw/zinc/27/78/81/695277881.db2.gz RUVBNFBXTZFOAW-CYBMUJFWSA-N 1 2 257.337 1.136 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCCN2c2ccccc2)C1 ZINC001030415621 695295364 /nfs/dbraw/zinc/29/53/64/695295364.db2.gz KDAITIPKLATWHO-QGZVFWFLSA-N 1 2 297.402 1.479 20 30 CDEDLO C#CCCCC(=O)O[C@@H](COC)C[N@@H+]1CCO[C@H](C)C1 ZINC000842963112 695296591 /nfs/dbraw/zinc/29/65/91/695296591.db2.gz ISOJBFTUOALDOY-ZIAGYGMSSA-N 1 2 283.368 1.069 20 30 CDEDLO C#CCCCC(=O)O[C@@H](COC)C[N@H+]1CCO[C@H](C)C1 ZINC000842963112 695296598 /nfs/dbraw/zinc/29/65/98/695296598.db2.gz ISOJBFTUOALDOY-ZIAGYGMSSA-N 1 2 283.368 1.069 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1[C@@H]3CCC[C@@H]31)CCO2 ZINC001053210158 695302625 /nfs/dbraw/zinc/30/26/25/695302625.db2.gz WXJANHWXWOLHEB-FICVDOATSA-N 1 2 290.407 1.522 20 30 CDEDLO C=CC[C@H]([NH2+][C@H](COC)[C@@H]1CCCOC1)C(=O)OC ZINC000886917899 695306932 /nfs/dbraw/zinc/30/69/32/695306932.db2.gz MZMRVSDZFVXKEV-FRRDWIJNSA-N 1 2 271.357 1.135 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)n(C)c1C ZINC001032774059 695315872 /nfs/dbraw/zinc/31/58/72/695315872.db2.gz UOTRENDMOXSTSQ-GJZGRUSLSA-N 1 2 285.391 1.564 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)n(C)c1C ZINC001032774059 695315875 /nfs/dbraw/zinc/31/58/75/695315875.db2.gz UOTRENDMOXSTSQ-GJZGRUSLSA-N 1 2 285.391 1.564 20 30 CDEDLO C#C[C@@H](NC(=O)CCc1c[nH+]cn1C)c1ccccc1 ZINC000843967141 695316995 /nfs/dbraw/zinc/31/69/95/695316995.db2.gz JPWGDXJACWVRJD-OAHLLOKOSA-N 1 2 267.332 1.843 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(N2CCCC2)c1 ZINC001038850934 695321442 /nfs/dbraw/zinc/32/14/42/695321442.db2.gz XZWDFJZADDCMEA-KRWDZBQOSA-N 1 2 297.402 1.724 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(N2CCCC2)c1 ZINC001038850934 695321445 /nfs/dbraw/zinc/32/14/45/695321445.db2.gz XZWDFJZADDCMEA-KRWDZBQOSA-N 1 2 297.402 1.724 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2c[nH]nc21 ZINC001038260972 695327106 /nfs/dbraw/zinc/32/71/06/695327106.db2.gz IKFVCAZGCZNLRS-ZIAGYGMSSA-N 1 2 286.379 1.043 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2c[nH]nc21 ZINC001038260972 695327107 /nfs/dbraw/zinc/32/71/07/695327107.db2.gz IKFVCAZGCZNLRS-ZIAGYGMSSA-N 1 2 286.379 1.043 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(Cl)ccc1OC ZINC001038988703 695343769 /nfs/dbraw/zinc/34/37/69/695343769.db2.gz KPWXMVWOLICAHV-LBPRGKRZSA-N 1 2 292.766 1.786 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cl)ccc1OC ZINC001038988703 695343772 /nfs/dbraw/zinc/34/37/72/695343772.db2.gz KPWXMVWOLICAHV-LBPRGKRZSA-N 1 2 292.766 1.786 20 30 CDEDLO COC(=O)C1([NH2+]CCO[C@@H](C)C#N)CCCCCC1 ZINC000801939802 695365349 /nfs/dbraw/zinc/36/53/49/695365349.db2.gz 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BCVMKSNJFWPGSY-IYBDPMFKSA-N 1 2 283.375 1.566 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(CC)c1 ZINC001017735080 695714172 /nfs/dbraw/zinc/71/41/72/695714172.db2.gz BCVMKSNJFWPGSY-IYBDPMFKSA-N 1 2 283.375 1.566 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2cccnc2-n2cccn2)C1 ZINC001043504030 695715381 /nfs/dbraw/zinc/71/53/81/695715381.db2.gz LMXDBPLMUIIIPK-UHFFFAOYSA-N 1 2 297.362 1.210 20 30 CDEDLO CCC[N@@H+](CC(N)=O)Cc1cc(Cl)ccc1OCC#N ZINC000795525888 695732184 /nfs/dbraw/zinc/73/21/84/695732184.db2.gz LSKFKYGUCCHABV-UHFFFAOYSA-N 1 2 295.770 1.940 20 30 CDEDLO CCC[N@H+](CC(N)=O)Cc1cc(Cl)ccc1OCC#N ZINC000795525888 695732179 /nfs/dbraw/zinc/73/21/79/695732179.db2.gz LSKFKYGUCCHABV-UHFFFAOYSA-N 1 2 295.770 1.940 20 30 CDEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H]1CCC(=O)NC1=O ZINC000839469606 695738310 /nfs/dbraw/zinc/73/83/10/695738310.db2.gz MMWCGVIFTNEEIO-ZDUSSCGKSA-N 1 2 276.311 1.619 20 30 CDEDLO C=CC[N@H+](Cc1ccccc1F)[C@H]1CCC(=O)NC1=O ZINC000839469606 695738315 /nfs/dbraw/zinc/73/83/15/695738315.db2.gz MMWCGVIFTNEEIO-ZDUSSCGKSA-N 1 2 276.311 1.619 20 30 CDEDLO NC(CCO)=[NH+]OCc1cn(-c2ccc(Cl)cc2)nn1 ZINC000136073746 695740222 /nfs/dbraw/zinc/74/02/22/695740222.db2.gz KCQYBTIOJDZLPY-UHFFFAOYSA-N 1 2 295.730 1.092 20 30 CDEDLO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC001027669103 695752385 /nfs/dbraw/zinc/75/23/85/695752385.db2.gz CSFBJJMGKNRIRG-CYBMUJFWSA-N 1 2 296.374 1.733 20 30 CDEDLO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC001027669103 695752390 /nfs/dbraw/zinc/75/23/90/695752390.db2.gz CSFBJJMGKNRIRG-CYBMUJFWSA-N 1 2 296.374 1.733 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CC[C@@H](C)O1 ZINC001018292659 695773679 /nfs/dbraw/zinc/77/36/79/695773679.db2.gz PFEKPWJVXGQXMV-WCVJEAGWSA-N 1 2 290.407 1.643 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CC[C@@H](C)O1 ZINC001018292659 695773682 /nfs/dbraw/zinc/77/36/82/695773682.db2.gz PFEKPWJVXGQXMV-WCVJEAGWSA-N 1 2 290.407 1.643 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C/C3CC3)C[C@@H]21 ZINC001074201467 695815754 /nfs/dbraw/zinc/81/57/54/695815754.db2.gz LRFHZWXFTLFWRQ-ICWYTKJFSA-N 1 2 276.380 1.440 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C/C3CC3)C[C@@H]21 ZINC001074201467 695815755 /nfs/dbraw/zinc/81/57/55/695815755.db2.gz LRFHZWXFTLFWRQ-ICWYTKJFSA-N 1 2 276.380 1.440 20 30 CDEDLO Cc1csc(CO[NH+]=C(N)Cc2cccnc2)n1 ZINC000137642641 695816173 /nfs/dbraw/zinc/81/61/73/695816173.db2.gz IFFCHUAWNXEIEY-UHFFFAOYSA-N 1 2 262.338 1.878 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(CC(C)C)[nH]1 ZINC001038248542 695817153 /nfs/dbraw/zinc/81/71/53/695817153.db2.gz BVAPCPNMKJNSLG-LBPRGKRZSA-N 1 2 274.368 1.046 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(CC(C)C)[nH]1 ZINC001038248542 695817157 /nfs/dbraw/zinc/81/71/57/695817157.db2.gz BVAPCPNMKJNSLG-LBPRGKRZSA-N 1 2 274.368 1.046 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2ccccc2nn1 ZINC001038571122 695838865 /nfs/dbraw/zinc/83/88/65/695838865.db2.gz FPFPWLJSBYJDRM-CQSZACIVSA-N 1 2 294.358 1.457 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2ccccc2nn1 ZINC001038571122 695838866 /nfs/dbraw/zinc/83/88/66/695838866.db2.gz FPFPWLJSBYJDRM-CQSZACIVSA-N 1 2 294.358 1.457 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3nccc(C)c3c2)C1 ZINC001030369526 695840026 /nfs/dbraw/zinc/84/00/26/695840026.db2.gz IKPOBDJOAWDHEK-UHFFFAOYSA-N 1 2 293.370 1.981 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2scnc2Cl)C1 ZINC001016276244 695841798 /nfs/dbraw/zinc/84/17/98/695841798.db2.gz UPABZLXXPSFHFW-QMMMGPOBSA-N 1 2 269.757 1.234 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2scnc2Cl)C1 ZINC001016276244 695841800 /nfs/dbraw/zinc/84/18/00/695841800.db2.gz UPABZLXXPSFHFW-QMMMGPOBSA-N 1 2 269.757 1.234 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001031089150 695856952 /nfs/dbraw/zinc/85/69/52/695856952.db2.gz WLUPIFPWAOJOLU-DLBZAZTESA-N 1 2 282.387 1.922 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(F)cc(F)cc1F ZINC001038661181 695857508 /nfs/dbraw/zinc/85/75/08/695857508.db2.gz SELWNPKZFGUBAW-LLVKDONJSA-N 1 2 296.292 1.931 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(F)cc(F)cc1F ZINC001038661181 695857509 /nfs/dbraw/zinc/85/75/09/695857509.db2.gz SELWNPKZFGUBAW-LLVKDONJSA-N 1 2 296.292 1.931 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccn(C)c1C ZINC001051101150 695861272 /nfs/dbraw/zinc/86/12/72/695861272.db2.gz KTKOFPUORDDAQA-CQSZACIVSA-N 1 2 291.395 1.340 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccn(C)c1C ZINC001051101150 695861273 /nfs/dbraw/zinc/86/12/73/695861273.db2.gz KTKOFPUORDDAQA-CQSZACIVSA-N 1 2 291.395 1.340 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(F)(F)CC1 ZINC001032648537 695861278 /nfs/dbraw/zinc/86/12/78/695861278.db2.gz BWJFSIVAKHYJBV-STQMWFEESA-N 1 2 282.334 1.730 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(F)(F)CC1 ZINC001032648537 695861279 /nfs/dbraw/zinc/86/12/79/695861279.db2.gz BWJFSIVAKHYJBV-STQMWFEESA-N 1 2 282.334 1.730 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(=O)[nH]n2)C1 ZINC001032892321 695862106 /nfs/dbraw/zinc/86/21/06/695862106.db2.gz UNFJHOQTSUWRPW-JTQLQIEISA-N 1 2 296.758 1.081 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(=O)[nH]n2)C1 ZINC001032892321 695862107 /nfs/dbraw/zinc/86/21/07/695862107.db2.gz UNFJHOQTSUWRPW-JTQLQIEISA-N 1 2 296.758 1.081 20 30 CDEDLO C=CCCCS(=O)(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000489818369 695868473 /nfs/dbraw/zinc/86/84/73/695868473.db2.gz NRFCGKKPPNVZGS-ZDUSSCGKSA-N 1 2 297.424 1.896 20 30 CDEDLO C#CCN(C)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000812017743 695869591 /nfs/dbraw/zinc/86/95/91/695869591.db2.gz JZMYRDXDVVTIBS-UHFFFAOYSA-N 1 2 261.325 1.482 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C=C)cc1 ZINC001038734317 695872377 /nfs/dbraw/zinc/87/23/77/695872377.db2.gz KOORGXZLYIEZPQ-HNNXBMFYSA-N 1 2 254.333 1.767 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C=C)cc1 ZINC001038734317 695872378 /nfs/dbraw/zinc/87/23/78/695872378.db2.gz KOORGXZLYIEZPQ-HNNXBMFYSA-N 1 2 254.333 1.767 20 30 CDEDLO Cc1ncccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N ZINC001032319516 695885447 /nfs/dbraw/zinc/88/54/47/695885447.db2.gz VQUOBNGCRPWJAI-CQDKDKBSSA-N 1 2 284.363 1.335 20 30 CDEDLO Cc1ncccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N ZINC001032319516 695885448 /nfs/dbraw/zinc/88/54/48/695885448.db2.gz VQUOBNGCRPWJAI-CQDKDKBSSA-N 1 2 284.363 1.335 20 30 CDEDLO CN(C)C(=O)COc1ccccc1C[NH2+]CCC#N ZINC000353711771 695886531 /nfs/dbraw/zinc/88/65/31/695886531.db2.gz URALLSORGHDBJC-UHFFFAOYSA-N 1 2 261.325 1.157 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)CC2CC(OCC)C2)C1 ZINC001030827625 695886552 /nfs/dbraw/zinc/88/65/52/695886552.db2.gz FZTNQGOWJLNHIO-UHFFFAOYSA-N 1 2 266.385 1.568 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2COc3ccccc3C2)C1 ZINC001030640376 695891874 /nfs/dbraw/zinc/89/18/74/695891874.db2.gz CFSWJKYOQVGLKX-CQSZACIVSA-N 1 2 286.375 1.614 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2c(F)cccc2F)C1 ZINC001031304185 695895360 /nfs/dbraw/zinc/89/53/60/695895360.db2.gz BLNOEOAXMDUACV-UHFFFAOYSA-N 1 2 266.291 1.955 20 30 CDEDLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000933215863 695898456 /nfs/dbraw/zinc/89/84/56/695898456.db2.gz CVUHZPREROMGBA-CQSZACIVSA-N 1 2 275.327 1.798 20 30 CDEDLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000933215863 695898457 /nfs/dbraw/zinc/89/84/57/695898457.db2.gz CVUHZPREROMGBA-CQSZACIVSA-N 1 2 275.327 1.798 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001009411388 695904479 /nfs/dbraw/zinc/90/44/79/695904479.db2.gz SQCIQSXMQMPNRB-GFCCVEGCSA-N 1 2 295.770 1.734 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001009411388 695904485 /nfs/dbraw/zinc/90/44/85/695904485.db2.gz SQCIQSXMQMPNRB-GFCCVEGCSA-N 1 2 295.770 1.734 20 30 CDEDLO O=C(C#Cc1ccccc1)NCCCn1cc[nH+]c1 ZINC000020441668 695904653 /nfs/dbraw/zinc/90/46/53/695904653.db2.gz QYUMEYRTFHTGOW-UHFFFAOYSA-N 1 2 253.305 1.441 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC001015889855 695920252 /nfs/dbraw/zinc/92/02/52/695920252.db2.gz FZFRYYOBPNXONI-LLVKDONJSA-N 1 2 270.336 1.553 20 30 CDEDLO C=CC[N@H+]1CC[C@@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC001015889855 695920260 /nfs/dbraw/zinc/92/02/60/695920260.db2.gz FZFRYYOBPNXONI-LLVKDONJSA-N 1 2 270.336 1.553 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccc(C)o1 ZINC001032800711 695927768 /nfs/dbraw/zinc/92/77/68/695927768.db2.gz VWLAKRLSLRPJPB-KBPBESRZSA-N 1 2 272.348 1.439 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccc(C)o1 ZINC001032800711 695927770 /nfs/dbraw/zinc/92/77/70/695927770.db2.gz VWLAKRLSLRPJPB-KBPBESRZSA-N 1 2 272.348 1.439 20 30 CDEDLO C=C(C)C[NH2+][C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001018878818 695928786 /nfs/dbraw/zinc/92/87/86/695928786.db2.gz UXTGHMSQTHFLQI-DTWKUNHWSA-N 1 2 268.254 1.653 20 30 CDEDLO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001018878818 695928792 /nfs/dbraw/zinc/92/87/92/695928792.db2.gz UXTGHMSQTHFLQI-DTWKUNHWSA-N 1 2 268.254 1.653 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001030683016 695929948 /nfs/dbraw/zinc/92/99/48/695929948.db2.gz SUQUDBIHVOCAHF-LLVKDONJSA-N 1 2 292.329 1.892 20 30 CDEDLO C#CC1CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000825525537 695959181 /nfs/dbraw/zinc/95/91/81/695959181.db2.gz GDNJSZWESMAIOY-UHFFFAOYSA-N 1 2 260.341 1.328 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC2(CCC2)C1 ZINC001032574903 695971932 /nfs/dbraw/zinc/97/19/32/695971932.db2.gz FQXIIPPNJFKPOM-KBPBESRZSA-N 1 2 258.365 1.485 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC2(CCC2)C1 ZINC001032574903 695971938 /nfs/dbraw/zinc/97/19/38/695971938.db2.gz FQXIIPPNJFKPOM-KBPBESRZSA-N 1 2 258.365 1.485 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C1CCOCC1 ZINC001032820232 695975212 /nfs/dbraw/zinc/97/52/12/695975212.db2.gz NZMFGWNRXHGELO-BPUTZDHNSA-N 1 2 290.407 1.358 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C1CCOCC1 ZINC001032820232 695975215 /nfs/dbraw/zinc/97/52/15/695975215.db2.gz NZMFGWNRXHGELO-BPUTZDHNSA-N 1 2 290.407 1.358 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)C1 ZINC001044016965 695987597 /nfs/dbraw/zinc/98/75/97/695987597.db2.gz OLAGYKKOUXNIEV-GVDBMIGSSA-N 1 2 282.387 1.901 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001031866217 695990698 /nfs/dbraw/zinc/99/06/98/695990698.db2.gz YDNVBITYUVJDBK-OLZOCXBDSA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001034087054 696006249 /nfs/dbraw/zinc/00/62/49/696006249.db2.gz GYRRSVSEPSBBAR-OLZOCXBDSA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001034087054 696006251 /nfs/dbraw/zinc/00/62/51/696006251.db2.gz GYRRSVSEPSBBAR-OLZOCXBDSA-N 1 2 286.803 1.889 20 30 CDEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3CCC3)C2)CC1 ZINC001051964963 696010816 /nfs/dbraw/zinc/01/08/16/696010816.db2.gz PZMKLWXDRYEVHR-MRXNPFEDSA-N 1 2 289.423 1.028 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CO)Cc2ccccc21 ZINC000816784302 696011060 /nfs/dbraw/zinc/01/10/60/696011060.db2.gz LCBVHOOKGYRBSZ-YOEHRIQHSA-N 1 2 298.386 1.282 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CO)Cc2ccccc21 ZINC000816784302 696011062 /nfs/dbraw/zinc/01/10/62/696011062.db2.gz LCBVHOOKGYRBSZ-YOEHRIQHSA-N 1 2 298.386 1.282 20 30 CDEDLO CC[N@H+](CCC#N)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593608 696027473 /nfs/dbraw/zinc/02/74/73/696027473.db2.gz YNBWAFNNRGMGEH-CYBMUJFWSA-N 1 2 263.297 1.864 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593608 696027479 /nfs/dbraw/zinc/02/74/79/696027479.db2.gz YNBWAFNNRGMGEH-CYBMUJFWSA-N 1 2 263.297 1.864 20 30 CDEDLO Cc1nc(C#N)cc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000882087344 696037146 /nfs/dbraw/zinc/03/71/46/696037146.db2.gz LTNXPOKGEUBNAI-FZMZJTMJSA-N 1 2 282.351 1.941 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ncccn2)CC[C@H]1C ZINC001071920675 696044525 /nfs/dbraw/zinc/04/45/25/696044525.db2.gz VWVPAQTWTCWWFK-NEPJUHHUSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ncccn2)CC[C@H]1C ZINC001071920675 696044528 /nfs/dbraw/zinc/04/45/28/696044528.db2.gz VWVPAQTWTCWWFK-NEPJUHHUSA-N 1 2 294.786 1.812 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1oc(C2CC2)nc1C ZINC001038788032 696053124 /nfs/dbraw/zinc/05/31/24/696053124.db2.gz KQBHCBPTCNAZSS-LBPRGKRZSA-N 1 2 275.352 1.851 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1oc(C2CC2)nc1C ZINC001038788032 696053127 /nfs/dbraw/zinc/05/31/27/696053127.db2.gz KQBHCBPTCNAZSS-LBPRGKRZSA-N 1 2 275.352 1.851 20 30 CDEDLO O=S1(=O)C=C(NNc2cccc(Cl)[nH+]2)CCC1 ZINC000793174778 696053704 /nfs/dbraw/zinc/05/37/04/696053704.db2.gz MSPMRFSUAFYELD-UHFFFAOYSA-N 1 2 273.745 1.712 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(-c2cn[nH]c2)cc1 ZINC001038807037 696059684 /nfs/dbraw/zinc/05/96/84/696059684.db2.gz UFSCYTQXFUKFJX-INIZCTEOSA-N 1 2 294.358 1.514 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-c2cn[nH]c2)cc1 ZINC001038807037 696059687 /nfs/dbraw/zinc/05/96/87/696059687.db2.gz UFSCYTQXFUKFJX-INIZCTEOSA-N 1 2 294.358 1.514 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(C)n1 ZINC001032522352 696060461 /nfs/dbraw/zinc/06/04/61/696060461.db2.gz ACGVLTFDRAWKTB-GJZGRUSLSA-N 1 2 283.375 1.620 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(C)n1 ZINC001032522352 696060463 /nfs/dbraw/zinc/06/04/63/696060463.db2.gz ACGVLTFDRAWKTB-GJZGRUSLSA-N 1 2 283.375 1.620 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1C ZINC001017338114 696071128 /nfs/dbraw/zinc/07/11/28/696071128.db2.gz YGDBGCPDIIUESM-OKILXGFUSA-N 1 2 272.348 1.900 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1C ZINC001017338114 696071129 /nfs/dbraw/zinc/07/11/29/696071129.db2.gz YGDBGCPDIIUESM-OKILXGFUSA-N 1 2 272.348 1.900 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccsc1 ZINC001050812427 696073198 /nfs/dbraw/zinc/07/31/98/696073198.db2.gz KYNPSUDNEMFVQZ-CYBMUJFWSA-N 1 2 280.393 1.755 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccsc1 ZINC001050812427 696073200 /nfs/dbraw/zinc/07/32/00/696073200.db2.gz KYNPSUDNEMFVQZ-CYBMUJFWSA-N 1 2 280.393 1.755 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2ncoc2C)CC1 ZINC001002423021 696084129 /nfs/dbraw/zinc/08/41/29/696084129.db2.gz GRLSEQJGEWOMEC-UHFFFAOYSA-N 1 2 283.759 1.930 20 30 CDEDLO CC1(C#N)CC[NH+](Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000877181560 696098973 /nfs/dbraw/zinc/09/89/73/696098973.db2.gz DAKWBTRWQZIRMV-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(CC)c[nH]c2=O)C1 ZINC001044122174 696101760 /nfs/dbraw/zinc/10/17/60/696101760.db2.gz VTFPUKRRXHAIEL-UHFFFAOYSA-N 1 2 289.379 1.682 20 30 CDEDLO O=C(NO)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000863856974 696102592 /nfs/dbraw/zinc/10/25/92/696102592.db2.gz VSWFFZABZGZQPL-LLVKDONJSA-N 1 2 254.717 1.810 20 30 CDEDLO O=C(NO)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000863856974 696102600 /nfs/dbraw/zinc/10/26/00/696102600.db2.gz VSWFFZABZGZQPL-LLVKDONJSA-N 1 2 254.717 1.810 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C[C@@H](C)CCC)C1 ZINC000885511677 696120110 /nfs/dbraw/zinc/12/01/10/696120110.db2.gz LKQRBWYCOFZANX-KBPBESRZSA-N 1 2 286.441 1.440 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C[C@@H](C)CCC)C1 ZINC000885511677 696120111 /nfs/dbraw/zinc/12/01/11/696120111.db2.gz LKQRBWYCOFZANX-KBPBESRZSA-N 1 2 286.441 1.440 20 30 CDEDLO Cc1nn(-c2cccc(C)c2)cc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000844589527 696126660 /nfs/dbraw/zinc/12/66/60/696126660.db2.gz HYFZFBVUULOYQH-GFCCVEGCSA-N 1 2 296.378 1.760 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cncc(Cl)c1 ZINC001038811580 696129762 /nfs/dbraw/zinc/12/97/62/696129762.db2.gz IPSFUMCZOIGXJW-ZDUSSCGKSA-N 1 2 277.755 1.562 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cncc(Cl)c1 ZINC001038811580 696129766 /nfs/dbraw/zinc/12/97/66/696129766.db2.gz IPSFUMCZOIGXJW-ZDUSSCGKSA-N 1 2 277.755 1.562 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C(C)C)CCO2 ZINC001053165599 696141034 /nfs/dbraw/zinc/14/10/34/696141034.db2.gz ZADKEVCBULPONP-UHFFFAOYSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2cc3ncccc3o2)C1 ZINC001030692521 696148923 /nfs/dbraw/zinc/14/89/23/696148923.db2.gz VINFPAIURSIYRX-UHFFFAOYSA-N 1 2 271.320 1.818 20 30 CDEDLO COCC[NH+]1CCN(C(=O)c2cc(C#N)ccc2F)CC1 ZINC000827487994 696197599 /nfs/dbraw/zinc/19/75/99/696197599.db2.gz BPSOCBOTOHYCQX-UHFFFAOYSA-N 1 2 291.326 1.102 20 30 CDEDLO C#C[C@H]([NH2+]Cc1ccc(F)cc1C#N)[C@@H]1CCCO1 ZINC000775792320 696201809 /nfs/dbraw/zinc/20/18/09/696201809.db2.gz FPWCIIDGVXNGCA-GJZGRUSLSA-N 1 2 258.296 1.968 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnccc2C)C1 ZINC001035321214 696205980 /nfs/dbraw/zinc/20/59/80/696205980.db2.gz YYNLRPAIRXNKIM-CQSZACIVSA-N 1 2 289.379 1.397 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnccc2C)C1 ZINC001035321214 696205999 /nfs/dbraw/zinc/20/59/99/696205999.db2.gz YYNLRPAIRXNKIM-CQSZACIVSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3coc(C)n3)C[C@H]21 ZINC001114025647 1162407814 /nfs/dbraw/zinc/40/78/14/1162407814.db2.gz NURNSOBLIDOJPA-NHAGDIPZSA-N 1 2 275.352 1.496 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3coc(C)n3)C[C@H]21 ZINC001114025647 1162407817 /nfs/dbraw/zinc/40/78/17/1162407817.db2.gz NURNSOBLIDOJPA-NHAGDIPZSA-N 1 2 275.352 1.496 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)co2)[C@H](O)C1 ZINC001090489077 1162683371 /nfs/dbraw/zinc/68/33/71/1162683371.db2.gz HZNBXSUQCRSMRP-NWDGAFQWSA-N 1 2 298.770 1.506 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)co2)[C@H](O)C1 ZINC001090489077 1162683372 /nfs/dbraw/zinc/68/33/72/1162683372.db2.gz HZNBXSUQCRSMRP-NWDGAFQWSA-N 1 2 298.770 1.506 20 30 CDEDLO COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001170543885 1162807444 /nfs/dbraw/zinc/80/74/44/1162807444.db2.gz QPKMQSSLXKGTKG-USWWRNFRSA-N 1 2 281.377 1.602 20 30 CDEDLO COC(=O)[C@@H]1CC[C@H]([N@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001170543885 1162807454 /nfs/dbraw/zinc/80/74/54/1162807454.db2.gz QPKMQSSLXKGTKG-USWWRNFRSA-N 1 2 281.377 1.602 20 30 CDEDLO COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001170543885 1162807464 /nfs/dbraw/zinc/80/74/64/1162807464.db2.gz QPKMQSSLXKGTKG-USWWRNFRSA-N 1 2 281.377 1.602 20 30 CDEDLO COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001170543885 1162807474 /nfs/dbraw/zinc/80/74/74/1162807474.db2.gz QPKMQSSLXKGTKG-USWWRNFRSA-N 1 2 281.377 1.602 20 30 CDEDLO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cnns1 ZINC001024340283 1159398688 /nfs/dbraw/zinc/39/86/88/1159398688.db2.gz YLXFNAWIMBASPZ-NSHDSACASA-N 1 2 278.381 1.146 20 30 CDEDLO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1cnns1 ZINC001024340283 1159398698 /nfs/dbraw/zinc/39/86/98/1159398698.db2.gz YLXFNAWIMBASPZ-NSHDSACASA-N 1 2 278.381 1.146 20 30 CDEDLO C=CCNc1ncc(C(=O)N2CC[NH+](CC)CC2)s1 ZINC000809937404 1163119611 /nfs/dbraw/zinc/11/96/11/1163119611.db2.gz PTYYHZKVVMNPGG-UHFFFAOYSA-N 1 2 280.397 1.519 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccnn2C)[C@H]1C ZINC001088489963 1160451927 /nfs/dbraw/zinc/45/19/27/1160451927.db2.gz AEPNHAIINJUASL-MNOVXSKESA-N 1 2 282.775 1.365 20 30 CDEDLO C#Cc1cccc(NC(=O)NCc2ccc(N)[nH+]c2)c1 ZINC000791092169 1162191309 /nfs/dbraw/zinc/19/13/09/1162191309.db2.gz IVDNSPSQGNESPC-UHFFFAOYSA-N 1 2 266.304 1.967 20 30 CDEDLO C(=[NH+]OCC1CC1)c1cnc(N2CCOCC2)s1 ZINC000814244841 1164070014 /nfs/dbraw/zinc/07/00/14/1164070014.db2.gz KJEDWDDMSFXDHF-UHFFFAOYSA-N 1 2 267.354 1.740 20 30 CDEDLO CC[C@@H](C)C[N@H+](C)Cn1nc(CC#N)n(C)c1=S ZINC000794628504 1164527693 /nfs/dbraw/zinc/52/76/93/1164527693.db2.gz MVUMVWZWIMBQFA-SNVBAGLBSA-N 1 2 267.402 1.953 20 30 CDEDLO CC[C@@H](C)C[N@@H+](C)Cn1nc(CC#N)n(C)c1=S ZINC000794628504 1164527699 /nfs/dbraw/zinc/52/76/99/1164527699.db2.gz MVUMVWZWIMBQFA-SNVBAGLBSA-N 1 2 267.402 1.953 20 30 CDEDLO C[N@H+](C[C@@H](O)c1cccc(-c2nn[nH]n2)c1)CC1(C#N)CC1 ZINC001609273470 1164876629 /nfs/dbraw/zinc/87/66/29/1164876629.db2.gz MZKICTGNQQSOOW-CYBMUJFWSA-N 1 2 298.350 1.136 20 30 CDEDLO C[N@@H+](C[C@@H](O)c1cccc(-c2nn[nH]n2)c1)CC1(C#N)CC1 ZINC001609273470 1164876635 /nfs/dbraw/zinc/87/66/35/1164876635.db2.gz MZKICTGNQQSOOW-CYBMUJFWSA-N 1 2 298.350 1.136 20 30 CDEDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000876582434 1165876101 /nfs/dbraw/zinc/87/61/01/1165876101.db2.gz ZGTTYLSEZZWTCW-AWEZNQCLSA-N 1 2 288.351 1.664 20 30 CDEDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000876582434 1165876107 /nfs/dbraw/zinc/87/61/07/1165876107.db2.gz ZGTTYLSEZZWTCW-AWEZNQCLSA-N 1 2 288.351 1.664 20 30 CDEDLO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)nc2ncccc12 ZINC001228620567 1167383764 /nfs/dbraw/zinc/38/37/64/1167383764.db2.gz SKMXFHKHDIFXQQ-UCHAVSLVSA-N 1 2 297.358 1.929 20 30 CDEDLO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)nc2ncccc12 ZINC001228620567 1167383770 /nfs/dbraw/zinc/38/37/70/1167383770.db2.gz SKMXFHKHDIFXQQ-UCHAVSLVSA-N 1 2 297.358 1.929 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC001566188849 1168249288 /nfs/dbraw/zinc/24/92/88/1168249288.db2.gz MGLZEZNDBBUUCU-AWEZNQCLSA-N 1 2 258.325 1.808 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cnccc2C#N)C1 ZINC001649806636 1169385377 /nfs/dbraw/zinc/38/53/77/1169385377.db2.gz LLAYSDYOYMVGTJ-GFCCVEGCSA-N 1 2 281.319 1.316 20 30 CDEDLO CCCCCCCCCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC001577429974 1171668278 /nfs/dbraw/zinc/66/82/78/1171668278.db2.gz FZGVJHLUERMZAA-AWEZNQCLSA-N 1 2 297.443 1.674 20 30 CDEDLO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1nc(-c2cccc(C#N)c2)n[nH]1 ZINC001578230555 1171842951 /nfs/dbraw/zinc/84/29/51/1171842951.db2.gz BYEUGOGEDYQFGW-CABZTGNLSA-N 1 2 298.350 1.655 20 30 CDEDLO Cc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1-c1nn[nH]n1 ZINC001591960879 1173757407 /nfs/dbraw/zinc/75/74/07/1173757407.db2.gz CYEQJVKHLZWTQH-JTQLQIEISA-N 1 2 270.340 1.767 20 30 CDEDLO Cc1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1-c1nn[nH]n1 ZINC001591960879 1173757410 /nfs/dbraw/zinc/75/74/10/1173757410.db2.gz CYEQJVKHLZWTQH-JTQLQIEISA-N 1 2 270.340 1.767 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000228664076 1175778542 /nfs/dbraw/zinc/77/85/42/1175778542.db2.gz SRNTVJZFCYXVOD-LLVKDONJSA-N 1 2 277.280 1.176 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000228664076 1175778548 /nfs/dbraw/zinc/77/85/48/1175778548.db2.gz SRNTVJZFCYXVOD-LLVKDONJSA-N 1 2 277.280 1.176 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)CC[C@@H](C)CC)C1 ZINC001753654346 1185288753 /nfs/dbraw/zinc/28/87/53/1185288753.db2.gz UEXWCMPACBOLEQ-UONOGXRCSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)CC[C@@H](C)CC)C1 ZINC001753654346 1185288759 /nfs/dbraw/zinc/28/87/59/1185288759.db2.gz UEXWCMPACBOLEQ-UONOGXRCSA-N 1 2 268.401 1.816 20 30 CDEDLO C#CCC[NH2+]C/C=C\CNC(=O)C(F)C(F)(F)F ZINC001754123015 1185475360 /nfs/dbraw/zinc/47/53/60/1185475360.db2.gz KIJSUMCIBDFLSC-XRVBUDJMSA-N 1 2 266.238 1.172 20 30 CDEDLO C#CCC[NH2+]C/C=C\CNC(=O)[C@@H](F)C(F)(F)F ZINC001754123015 1185475362 /nfs/dbraw/zinc/47/53/62/1185475362.db2.gz KIJSUMCIBDFLSC-XRVBUDJMSA-N 1 2 266.238 1.172 20 30 CDEDLO C#CCN(C(=O)CC)C1CC[NH+](Cc2nocc2C)CC1 ZINC001754632164 1185689381 /nfs/dbraw/zinc/68/93/81/1185689381.db2.gz LNZQMTFGQIOADB-UHFFFAOYSA-N 1 2 289.379 1.819 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C(C)(C)CC)O2 ZINC001755055950 1185800878 /nfs/dbraw/zinc/80/08/78/1185800878.db2.gz RZIRDMGWGSVUHY-ZDUSSCGKSA-N 1 2 280.412 1.958 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2nnc(C)o2)C1 ZINC001755252151 1185877680 /nfs/dbraw/zinc/87/76/80/1185877680.db2.gz FOHSLLWGFJMDSK-WDEREUQCSA-N 1 2 292.383 1.717 20 30 CDEDLO C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001755363896 1185928571 /nfs/dbraw/zinc/92/85/71/1185928571.db2.gz OQWZYVSGGUCRAF-QWRGUYRKSA-N 1 2 294.292 1.881 20 30 CDEDLO C#CC[N@H+]1CCCCC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001755363896 1185928567 /nfs/dbraw/zinc/92/85/67/1185928567.db2.gz OQWZYVSGGUCRAF-QWRGUYRKSA-N 1 2 294.292 1.881 20 30 CDEDLO C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001755363896 1185928575 /nfs/dbraw/zinc/92/85/75/1185928575.db2.gz OQWZYVSGGUCRAF-QWRGUYRKSA-N 1 2 294.292 1.881 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CC2=CCOCC2)C1 ZINC001043760282 724386526 /nfs/dbraw/zinc/38/65/26/724386526.db2.gz MRTMQXRDPDKKJP-UHFFFAOYSA-N 1 2 264.369 1.442 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1C/C=C\Cl ZINC001038715978 724387881 /nfs/dbraw/zinc/38/78/81/724387881.db2.gz DBRSEEQOYPNHBQ-PEGWKCJBSA-N 1 2 284.787 1.521 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1C/C=C\Cl ZINC001038715978 724387886 /nfs/dbraw/zinc/38/78/86/724387886.db2.gz DBRSEEQOYPNHBQ-PEGWKCJBSA-N 1 2 284.787 1.521 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCO[C@H](CCC)C2)C1 ZINC001031155359 724399724 /nfs/dbraw/zinc/39/97/24/724399724.db2.gz KWDJDKGHHYGEOF-DZGCQCFKSA-N 1 2 278.396 1.405 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccc(CC)cn2)C1 ZINC001043929606 724414781 /nfs/dbraw/zinc/41/47/81/724414781.db2.gz MJQAODQPVTUXOE-UHFFFAOYSA-N 1 2 273.380 1.515 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)C[C@H]1CC ZINC000884143729 724421094 /nfs/dbraw/zinc/42/10/94/724421094.db2.gz PNUQHAVOGREERS-TUAOUCFPSA-N 1 2 268.357 1.080 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2c[nH]nc2-c2ccco2)C1 ZINC001044315069 724438729 /nfs/dbraw/zinc/43/87/29/724438729.db2.gz JCHMJLNLUSUPDS-UHFFFAOYSA-N 1 2 286.335 1.612 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(CC(C)C)n1 ZINC001032402759 723693818 /nfs/dbraw/zinc/69/38/18/723693818.db2.gz IXMLLLLIABHLHC-STQMWFEESA-N 1 2 286.379 1.140 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(CC(C)C)n1 ZINC001032402759 723693819 /nfs/dbraw/zinc/69/38/19/723693819.db2.gz IXMLLLLIABHLHC-STQMWFEESA-N 1 2 286.379 1.140 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)CCO2 ZINC001038734299 723696605 /nfs/dbraw/zinc/69/66/05/723696605.db2.gz FXBVREFQRZISNG-OAHLLOKOSA-N 1 2 284.359 1.449 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)CCO2 ZINC001038734299 723696606 /nfs/dbraw/zinc/69/66/06/723696606.db2.gz FXBVREFQRZISNG-OAHLLOKOSA-N 1 2 284.359 1.449 20 30 CDEDLO C=CCN(CCC#N)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000793566072 723701441 /nfs/dbraw/zinc/70/14/41/723701441.db2.gz HYRGGCBGBIINSP-CYBMUJFWSA-N 1 2 287.367 1.095 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]ccc2C)C1 ZINC001010835537 723707777 /nfs/dbraw/zinc/70/77/77/723707777.db2.gz ULVXCLHJJRHTTL-NSHDSACASA-N 1 2 267.760 1.880 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]ccc2C)C1 ZINC001010835537 723707778 /nfs/dbraw/zinc/70/77/78/723707778.db2.gz ULVXCLHJJRHTTL-NSHDSACASA-N 1 2 267.760 1.880 20 30 CDEDLO C=CCONC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000837047132 723721410 /nfs/dbraw/zinc/72/14/10/723721410.db2.gz ABUXFIJKOTYYOI-UHFFFAOYSA-N 1 2 268.357 1.255 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2COc3ccccc32)C1 ZINC001044366690 723724720 /nfs/dbraw/zinc/72/47/20/723724720.db2.gz JYASAOCQZLDPRP-HNNXBMFYSA-N 1 2 286.375 1.881 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C(C)C ZINC001018125607 723732675 /nfs/dbraw/zinc/73/26/75/723732675.db2.gz WRDPIVULWSHXFT-XUWVNRHRSA-N 1 2 274.408 1.977 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C(C)C ZINC001018125607 723732676 /nfs/dbraw/zinc/73/26/76/723732676.db2.gz WRDPIVULWSHXFT-XUWVNRHRSA-N 1 2 274.408 1.977 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccco1)CCO2 ZINC001053129352 723745298 /nfs/dbraw/zinc/74/52/98/723745298.db2.gz SLEPMWTYUSNPNP-UHFFFAOYSA-N 1 2 276.336 1.383 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc[nH]c1 ZINC001050931070 723747454 /nfs/dbraw/zinc/74/74/54/723747454.db2.gz IFXKZOHOZLOYKL-ZDUSSCGKSA-N 1 2 263.341 1.021 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc[nH]c1 ZINC001050931070 723747455 /nfs/dbraw/zinc/74/74/55/723747455.db2.gz IFXKZOHOZLOYKL-ZDUSSCGKSA-N 1 2 263.341 1.021 20 30 CDEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cocn1 ZINC001010372133 723753313 /nfs/dbraw/zinc/75/33/13/723753313.db2.gz AVSQXQGMOFXNLO-OAHLLOKOSA-N 1 2 295.342 1.530 20 30 CDEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cocn1 ZINC001010372133 723753315 /nfs/dbraw/zinc/75/33/15/723753315.db2.gz AVSQXQGMOFXNLO-OAHLLOKOSA-N 1 2 295.342 1.530 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CC3(C)CC3)C[C@@H]21 ZINC001074300073 723757629 /nfs/dbraw/zinc/75/76/29/723757629.db2.gz ORMUICNDOHYBQE-GJZGRUSLSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC3(C)CC3)C[C@@H]21 ZINC001074300073 723757630 /nfs/dbraw/zinc/75/76/30/723757630.db2.gz ORMUICNDOHYBQE-GJZGRUSLSA-N 1 2 290.407 1.502 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccn1 ZINC001032319047 723763124 /nfs/dbraw/zinc/76/31/24/723763124.db2.gz HMUGCZPDPXDIMB-UBHSHLNASA-N 1 2 270.336 1.026 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccn1 ZINC001032319047 723763126 /nfs/dbraw/zinc/76/31/26/723763126.db2.gz HMUGCZPDPXDIMB-UBHSHLNASA-N 1 2 270.336 1.026 20 30 CDEDLO CC(C)(C#N)CS(=O)(=O)N1CCOc2cc[nH+]cc21 ZINC000789764665 723791118 /nfs/dbraw/zinc/79/11/18/723791118.db2.gz MBQUQXDUMNGTEY-UHFFFAOYSA-N 1 2 281.337 1.160 20 30 CDEDLO CC[C@H](CO[NH+]=C(N)c1ccc(OC)cc1)OC ZINC000842022220 723813135 /nfs/dbraw/zinc/81/31/35/723813135.db2.gz XQSLNBPNJZQTOY-LLVKDONJSA-N 1 2 252.314 1.757 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(C)c1C1CC1 ZINC001039074944 723832279 /nfs/dbraw/zinc/83/22/79/723832279.db2.gz PPQADVCUYBFKBL-ZDUSSCGKSA-N 1 2 286.379 1.125 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(C)c1C1CC1 ZINC001039074944 723832282 /nfs/dbraw/zinc/83/22/82/723832282.db2.gz PPQADVCUYBFKBL-ZDUSSCGKSA-N 1 2 286.379 1.125 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccoc1)CO2 ZINC001053784116 723821366 /nfs/dbraw/zinc/82/13/66/723821366.db2.gz GZXMGROSXACDNK-CQSZACIVSA-N 1 2 290.363 1.358 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(CC)[nH]n2)C1 ZINC001032917524 723853444 /nfs/dbraw/zinc/85/34/44/723853444.db2.gz XLNPOUHXULBJTJ-ZDUSSCGKSA-N 1 2 274.368 1.142 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)nc1OC ZINC001038782994 723856197 /nfs/dbraw/zinc/85/61/97/723856197.db2.gz QMCXMYNULMLHPP-ZDUSSCGKSA-N 1 2 287.363 1.226 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)nc1OC ZINC001038782994 723856200 /nfs/dbraw/zinc/85/62/00/723856200.db2.gz QMCXMYNULMLHPP-ZDUSSCGKSA-N 1 2 287.363 1.226 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1Cc2ccccc2[C@H]1C ZINC000884144008 723872656 /nfs/dbraw/zinc/87/26/56/723872656.db2.gz YCCQBGQUTVIRBA-RISCZKNCSA-N 1 2 288.347 1.536 20 30 CDEDLO C=CC[N@H+](CN1C(=O)[C@]2(CCCO2)[C@H]1C1CC1)C1CC1 ZINC000840040806 723939978 /nfs/dbraw/zinc/93/99/78/723939978.db2.gz GLOCQQBMKGUXQH-ZBFHGGJFSA-N 1 2 276.380 1.764 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)[C@]2(CCCO2)[C@H]1C1CC1)C1CC1 ZINC000840040806 723939985 /nfs/dbraw/zinc/93/99/85/723939985.db2.gz GLOCQQBMKGUXQH-ZBFHGGJFSA-N 1 2 276.380 1.764 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CO[C@@H](C)C2)C1 ZINC001043147885 723954521 /nfs/dbraw/zinc/95/45/21/723954521.db2.gz VTNURWQQJRONQJ-NWDGAFQWSA-N 1 2 252.358 1.130 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C12CCC(CC1)C2 ZINC001050980805 724025663 /nfs/dbraw/zinc/02/56/63/724025663.db2.gz BEUMMTVLXSLYBV-ISXOHVOVSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C12CCC(CC1)C2 ZINC001050980805 724025666 /nfs/dbraw/zinc/02/56/66/724025666.db2.gz BEUMMTVLXSLYBV-ISXOHVOVSA-N 1 2 292.423 1.960 20 30 CDEDLO C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001038605957 724074196 /nfs/dbraw/zinc/07/41/96/724074196.db2.gz LHTJQNPDZHDZHF-HYVNUMGLSA-N 1 2 282.387 1.885 20 30 CDEDLO C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001038605957 724074199 /nfs/dbraw/zinc/07/41/99/724074199.db2.gz LHTJQNPDZHDZHF-HYVNUMGLSA-N 1 2 282.387 1.885 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001030685803 724084646 /nfs/dbraw/zinc/08/46/46/724084646.db2.gz FNTAMVSHFHOWSE-INIZCTEOSA-N 1 2 286.350 1.679 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)noc1CCC ZINC001038254969 724093816 /nfs/dbraw/zinc/09/38/16/724093816.db2.gz QNRVMWGQONUOAE-LBPRGKRZSA-N 1 2 277.368 1.926 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)noc1CCC ZINC001038254969 724093819 /nfs/dbraw/zinc/09/38/19/724093819.db2.gz QNRVMWGQONUOAE-LBPRGKRZSA-N 1 2 277.368 1.926 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ocnc3C)cc2C1 ZINC001054260665 724099781 /nfs/dbraw/zinc/09/97/81/724099781.db2.gz UALIGPPZOJKDAV-UHFFFAOYSA-N 1 2 295.342 1.862 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ocnc3C)cc2C1 ZINC001054260665 724099784 /nfs/dbraw/zinc/09/97/84/724099784.db2.gz UALIGPPZOJKDAV-UHFFFAOYSA-N 1 2 295.342 1.862 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1C1CC1 ZINC001032497441 724118720 /nfs/dbraw/zinc/11/87/20/724118720.db2.gz QKQOGVLAMFZJMA-GJZGRUSLSA-N 1 2 295.386 1.881 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1C1CC1 ZINC001032497441 724118736 /nfs/dbraw/zinc/11/87/36/724118736.db2.gz QKQOGVLAMFZJMA-GJZGRUSLSA-N 1 2 295.386 1.881 20 30 CDEDLO CCCS(=O)(=O)CC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397657175 724141027 /nfs/dbraw/zinc/14/10/27/724141027.db2.gz NANLMGRLGXIWOK-LBPRGKRZSA-N 1 2 258.387 1.437 20 30 CDEDLO CCCS(=O)(=O)CC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397657175 724141031 /nfs/dbraw/zinc/14/10/31/724141031.db2.gz NANLMGRLGXIWOK-LBPRGKRZSA-N 1 2 258.387 1.437 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001035520280 724188839 /nfs/dbraw/zinc/18/88/39/724188839.db2.gz PXAIRLPTGDGQGH-LBPRGKRZSA-N 1 2 292.383 1.150 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001035520280 724188841 /nfs/dbraw/zinc/18/88/41/724188841.db2.gz PXAIRLPTGDGQGH-LBPRGKRZSA-N 1 2 292.383 1.150 20 30 CDEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccoc2C(C)C)C1 ZINC001047642702 724221361 /nfs/dbraw/zinc/22/13/61/724221361.db2.gz YWJHPUMKAAPSKM-KBPBESRZSA-N 1 2 290.363 1.153 20 30 CDEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccoc2C(C)C)C1 ZINC001047642702 724221374 /nfs/dbraw/zinc/22/13/74/724221374.db2.gz YWJHPUMKAAPSKM-KBPBESRZSA-N 1 2 290.363 1.153 20 30 CDEDLO C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001046984345 724234218 /nfs/dbraw/zinc/23/42/18/724234218.db2.gz QSSJEZVSDBQYTK-JTQLQIEISA-N 1 2 299.325 1.068 20 30 CDEDLO C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001046984345 724234232 /nfs/dbraw/zinc/23/42/32/724234232.db2.gz QSSJEZVSDBQYTK-JTQLQIEISA-N 1 2 299.325 1.068 20 30 CDEDLO N#CCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000849194657 724245405 /nfs/dbraw/zinc/24/54/05/724245405.db2.gz VZCRGCUAGJCZDX-UHFFFAOYSA-N 1 2 272.220 1.461 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cnsn1 ZINC001024902483 724270067 /nfs/dbraw/zinc/27/00/67/724270067.db2.gz SSIYINDWDKLEKP-ZYHUDNBSSA-N 1 2 293.396 1.168 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2c(C)cnn2C)C1 ZINC001046554615 724345846 /nfs/dbraw/zinc/34/58/46/724345846.db2.gz STDJDYPWKTWWNA-CQSZACIVSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2c(C)cnn2C)C1 ZINC001046554615 724345851 /nfs/dbraw/zinc/34/58/51/724345851.db2.gz STDJDYPWKTWWNA-CQSZACIVSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2nocc2C)C1 ZINC001033561152 724349052 /nfs/dbraw/zinc/34/90/52/724349052.db2.gz DFOKBQCMGXFMMY-NSHDSACASA-N 1 2 283.759 1.882 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2nocc2C)C1 ZINC001033561152 724349057 /nfs/dbraw/zinc/34/90/57/724349057.db2.gz DFOKBQCMGXFMMY-NSHDSACASA-N 1 2 283.759 1.882 20 30 CDEDLO Cc1noc([C@H](C)[NH2+][C@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001018818116 724349607 /nfs/dbraw/zinc/34/96/07/724349607.db2.gz BJFZTXDFIXIVPB-GWCFXTLKSA-N 1 2 288.351 1.043 20 30 CDEDLO N#Cc1ccc(C[C@H](C#N)C(=O)OCCn2cc[nH+]c2)cc1 ZINC000795820406 724368706 /nfs/dbraw/zinc/36/87/06/724368706.db2.gz UKSDHAKTGJOZAL-OAHLLOKOSA-N 1 2 294.314 1.680 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC1(F)F)CO2 ZINC001053793461 724378004 /nfs/dbraw/zinc/37/80/04/724378004.db2.gz QODCBIKKFDITBE-GHMZBOCLSA-N 1 2 286.322 1.177 20 30 CDEDLO N#Cc1csc(C[N@@H+]2CC[C@@]3(CO)CCC[C@@H]23)n1 ZINC000886634975 724453002 /nfs/dbraw/zinc/45/30/02/724453002.db2.gz RQURZVDKOWUCND-DGCLKSJQSA-N 1 2 263.366 1.752 20 30 CDEDLO N#Cc1csc(C[N@H+]2CC[C@@]3(CO)CCC[C@@H]23)n1 ZINC000886634975 724453003 /nfs/dbraw/zinc/45/30/03/724453003.db2.gz RQURZVDKOWUCND-DGCLKSJQSA-N 1 2 263.366 1.752 20 30 CDEDLO C#CCOc1ccc(NC(=O)Cc2c[nH+]cn2C)cc1 ZINC000776650021 724457229 /nfs/dbraw/zinc/45/72/29/724457229.db2.gz QARCPMYSXVXNGO-UHFFFAOYSA-N 1 2 269.304 1.613 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001038332928 724456633 /nfs/dbraw/zinc/45/66/33/724456633.db2.gz IGCHHMSTEWLOGQ-MNOVXSKESA-N 1 2 256.296 1.246 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001038332928 724456637 /nfs/dbraw/zinc/45/66/37/724456637.db2.gz IGCHHMSTEWLOGQ-MNOVXSKESA-N 1 2 256.296 1.246 20 30 CDEDLO C=CCN1CC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001043092823 724459547 /nfs/dbraw/zinc/45/95/47/724459547.db2.gz ZXXLIRLBPMMQGR-UHFFFAOYSA-N 1 2 270.336 1.505 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCC(=O)N[C@H](C)C(C)C)ccc1F ZINC000063457767 724459921 /nfs/dbraw/zinc/45/99/21/724459921.db2.gz ZGVDWWBSPUGGGT-LLVKDONJSA-N 1 2 295.358 1.932 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1nc(C2CC2)oc1C ZINC001038858324 724462044 /nfs/dbraw/zinc/46/20/44/724462044.db2.gz HXRIIOQFFUKPGR-LBPRGKRZSA-N 1 2 275.352 1.851 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1nc(C2CC2)oc1C ZINC001038858324 724462047 /nfs/dbraw/zinc/46/20/47/724462047.db2.gz HXRIIOQFFUKPGR-LBPRGKRZSA-N 1 2 275.352 1.851 20 30 CDEDLO COc1ccc([C@@H]2CN(C(=O)CC#N)CC[NH2+]2)cc1 ZINC000870142631 724489874 /nfs/dbraw/zinc/48/98/74/724489874.db2.gz LSSGEMWHLYEBOB-ZDUSSCGKSA-N 1 2 259.309 1.082 20 30 CDEDLO C=CC[N@@H+](C)CN1C(=O)C2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811769168 724502300 /nfs/dbraw/zinc/50/23/00/724502300.db2.gz RQMZTDNVOVMJOG-OLZOCXBDSA-N 1 2 264.369 1.622 20 30 CDEDLO C=CC[N@H+](C)CN1C(=O)C2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811769168 724502303 /nfs/dbraw/zinc/50/23/03/724502303.db2.gz RQMZTDNVOVMJOG-OLZOCXBDSA-N 1 2 264.369 1.622 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(C)n1 ZINC001032584835 725499182 /nfs/dbraw/zinc/49/91/82/725499182.db2.gz MCHJRJSCJZGWOS-QWRGUYRKSA-N 1 2 263.366 1.536 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(C)n1 ZINC001032584835 725499185 /nfs/dbraw/zinc/49/91/85/725499185.db2.gz MCHJRJSCJZGWOS-QWRGUYRKSA-N 1 2 263.366 1.536 20 30 CDEDLO CC#CCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897335878 725610888 /nfs/dbraw/zinc/61/08/88/725610888.db2.gz IPPGEICZBPZNBU-CYBMUJFWSA-N 1 2 260.341 1.320 20 30 CDEDLO CC#CCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897335878 725610895 /nfs/dbraw/zinc/61/08/95/725610895.db2.gz IPPGEICZBPZNBU-CYBMUJFWSA-N 1 2 260.341 1.320 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)OC)[C@@H]2C1 ZINC001075606508 725599403 /nfs/dbraw/zinc/59/94/03/725599403.db2.gz QASBEQNRVDFIBA-YNEHKIRRSA-N 1 2 286.803 1.697 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)OC)[C@@H]2C1 ZINC001075606508 725599406 /nfs/dbraw/zinc/59/94/06/725599406.db2.gz QASBEQNRVDFIBA-YNEHKIRRSA-N 1 2 286.803 1.697 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC001030768019 724551280 /nfs/dbraw/zinc/55/12/80/724551280.db2.gz VJXOCFWEGNDJHK-UHFFFAOYSA-N 1 2 297.280 1.538 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2cn(C(C)(C)C)nn2)CC1 ZINC000886778694 724560340 /nfs/dbraw/zinc/56/03/40/724560340.db2.gz ORJDCTPZFMGTHL-UHFFFAOYSA-N 1 2 278.400 1.936 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(F)c(C)cc2F)C1 ZINC001030480303 724567642 /nfs/dbraw/zinc/56/76/42/724567642.db2.gz FGYYPPSAJWUHHJ-UHFFFAOYSA-N 1 2 278.302 1.711 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2CC)C1 ZINC001015080662 724579053 /nfs/dbraw/zinc/57/90/53/724579053.db2.gz HXKQEDGDDUWKSI-NSHDSACASA-N 1 2 296.802 1.539 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2CC)C1 ZINC001015080662 724579055 /nfs/dbraw/zinc/57/90/55/724579055.db2.gz HXKQEDGDDUWKSI-NSHDSACASA-N 1 2 296.802 1.539 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CCOC2(C[NH+](C(C)C)C2)C1 ZINC001053412439 726007903 /nfs/dbraw/zinc/00/79/03/726007903.db2.gz VVAXXDMAJVVCIN-OAHLLOKOSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn(C)c2CC)C1 ZINC001043212803 724581235 /nfs/dbraw/zinc/58/12/35/724581235.db2.gz PPSVDDHKZPDPTG-UHFFFAOYSA-N 1 2 276.384 1.315 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(C(C)C)CC1 ZINC000884157335 724590665 /nfs/dbraw/zinc/59/06/65/724590665.db2.gz YBNFIQZLGMTXOX-ZDUSSCGKSA-N 1 2 282.384 1.328 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccoc2C2CC2)C1 ZINC001035492586 724599408 /nfs/dbraw/zinc/59/94/08/724599408.db2.gz YDEBNZVTNVDDGR-ZDUSSCGKSA-N 1 2 290.363 1.774 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccoc2C2CC2)C1 ZINC001035492586 724599410 /nfs/dbraw/zinc/59/94/10/724599410.db2.gz YDEBNZVTNVDDGR-ZDUSSCGKSA-N 1 2 290.363 1.774 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1nnc2n1CCCCC2)[C@H]1CCCO1 ZINC000775789845 724638812 /nfs/dbraw/zinc/63/88/12/724638812.db2.gz FHSUDOIQZSDHMH-CHWSQXEVSA-N 1 2 274.368 1.275 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000884155355 724641012 /nfs/dbraw/zinc/64/10/12/724641012.db2.gz ZZUOJRLJYBSSAZ-IHRRRGAJSA-N 1 2 294.395 1.518 20 30 CDEDLO C=CCONC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000838711301 724653020 /nfs/dbraw/zinc/65/30/20/724653020.db2.gz IAJGVDSPFQIITG-RYUDHWBXSA-N 1 2 264.329 1.593 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ncccc2C)C1 ZINC001035326835 724658855 /nfs/dbraw/zinc/65/88/55/724658855.db2.gz ICZMZYOARGJALK-AWEZNQCLSA-N 1 2 289.379 1.397 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ncccc2C)C1 ZINC001035326835 724658862 /nfs/dbraw/zinc/65/88/62/724658862.db2.gz ICZMZYOARGJALK-AWEZNQCLSA-N 1 2 289.379 1.397 20 30 CDEDLO CC(=[NH+]N1CCN(C)CC1)c1cc(F)c(N)c(F)c1 ZINC000814685647 724663229 /nfs/dbraw/zinc/66/32/29/724663229.db2.gz OAKUYSZPWUMVLQ-UHFFFAOYSA-N 1 2 268.311 1.518 20 30 CDEDLO CC[C@@](C)([NH2+]C[C@H](O)CC1(C#N)CCC1)C(=O)OC ZINC000886100260 724706022 /nfs/dbraw/zinc/70/60/22/724706022.db2.gz JQHGWJNFMLWPGA-DGCLKSJQSA-N 1 2 268.357 1.363 20 30 CDEDLO C#CC[C@H](CO)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000816670332 724710718 /nfs/dbraw/zinc/71/07/18/724710718.db2.gz RTAKCQWFSFFIFP-OAHLLOKOSA-N 1 2 283.331 1.045 20 30 CDEDLO C=C(C)CN(C)CCS(=O)(=O)CC[N@H+](C)CC(=C)C ZINC000181308437 724724270 /nfs/dbraw/zinc/72/42/70/724724270.db2.gz XTACDZVCEPDEAJ-UHFFFAOYSA-N 1 2 288.457 1.417 20 30 CDEDLO C=C(C)CN(C)CCS(=O)(=O)CC[N@@H+](C)CC(=C)C ZINC000181308437 724724276 /nfs/dbraw/zinc/72/42/76/724724276.db2.gz XTACDZVCEPDEAJ-UHFFFAOYSA-N 1 2 288.457 1.417 20 30 CDEDLO CC[C@@H](CC#N)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897400008 724762294 /nfs/dbraw/zinc/76/22/94/724762294.db2.gz FIYUVMRQTKBNPN-GXFFZTMASA-N 1 2 275.356 1.598 20 30 CDEDLO CC[C@@H](CC#N)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897400008 724762298 /nfs/dbraw/zinc/76/22/98/724762298.db2.gz FIYUVMRQTKBNPN-GXFFZTMASA-N 1 2 275.356 1.598 20 30 CDEDLO C#CC1(F)CN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000881938690 724777405 /nfs/dbraw/zinc/77/74/05/724777405.db2.gz VAJYHAZBWBBOLP-SECBINFHSA-N 1 2 289.232 1.560 20 30 CDEDLO Cc1nc(C#N)cc(N(C)CCCn2cc[nH+]c2)n1 ZINC000882109574 724779331 /nfs/dbraw/zinc/77/93/31/724779331.db2.gz SBVGXGVHJVNWJX-UHFFFAOYSA-N 1 2 256.313 1.380 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000874703194 724787045 /nfs/dbraw/zinc/78/70/45/724787045.db2.gz OODDQJGDNUHKEK-UONOGXRCSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000874703194 724787050 /nfs/dbraw/zinc/78/70/50/724787050.db2.gz OODDQJGDNUHKEK-UONOGXRCSA-N 1 2 284.400 1.195 20 30 CDEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865919698 724802465 /nfs/dbraw/zinc/80/24/65/724802465.db2.gz HYAYLNDHHUEYKX-IKKNBEIESA-N 1 2 291.395 1.463 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(C2CCC2)n1 ZINC001038895348 724805808 /nfs/dbraw/zinc/80/58/08/724805808.db2.gz KMHZSVARJMKONZ-GFCCVEGCSA-N 1 2 275.352 1.932 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(C2CCC2)n1 ZINC001038895348 724805812 /nfs/dbraw/zinc/80/58/12/724805812.db2.gz KMHZSVARJMKONZ-GFCCVEGCSA-N 1 2 275.352 1.932 20 30 CDEDLO CON=Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872341067 725043690 /nfs/dbraw/zinc/04/36/90/725043690.db2.gz BBBZRSDKCNNZQZ-UHFFFAOYSA-N 1 2 264.325 1.378 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn[nH]n1 ZINC001049569916 724815059 /nfs/dbraw/zinc/81/50/59/724815059.db2.gz HCGLCLLKTXYBLI-NWDGAFQWSA-N 1 2 295.774 1.236 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn[nH]n1 ZINC001049569916 724815060 /nfs/dbraw/zinc/81/50/60/724815060.db2.gz HCGLCLLKTXYBLI-NWDGAFQWSA-N 1 2 295.774 1.236 20 30 CDEDLO COC[C@]1(C)CC[N@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000840104727 724816949 /nfs/dbraw/zinc/81/69/49/724816949.db2.gz OXVMGOAIBPVXML-OAHLLOKOSA-N 1 2 275.352 1.344 20 30 CDEDLO COC[C@]1(C)CC[N@@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000840104727 724816952 /nfs/dbraw/zinc/81/69/52/724816952.db2.gz OXVMGOAIBPVXML-OAHLLOKOSA-N 1 2 275.352 1.344 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cncc(C)c2)C1 ZINC001042569924 724823673 /nfs/dbraw/zinc/82/36/73/724823673.db2.gz JURCRMRICAKFRL-UHFFFAOYSA-N 1 2 259.353 1.722 20 30 CDEDLO C#CCC[N@@H+]1C[C@H]2CN(C(=O)C(F)C(F)(F)F)C[C@H]2C1 ZINC001048833970 724827625 /nfs/dbraw/zinc/82/76/25/724827625.db2.gz WXYARWYTJOBXAJ-AXFHLTTASA-N 1 2 292.276 1.300 20 30 CDEDLO C#CCC[N@H+]1C[C@H]2CN(C(=O)C(F)C(F)(F)F)C[C@H]2C1 ZINC001048833970 724827636 /nfs/dbraw/zinc/82/76/36/724827636.db2.gz WXYARWYTJOBXAJ-AXFHLTTASA-N 1 2 292.276 1.300 20 30 CDEDLO C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]2C1 ZINC001048833970 724827637 /nfs/dbraw/zinc/82/76/37/724827637.db2.gz WXYARWYTJOBXAJ-AXFHLTTASA-N 1 2 292.276 1.300 20 30 CDEDLO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]2C1 ZINC001048833970 724827638 /nfs/dbraw/zinc/82/76/38/724827638.db2.gz WXYARWYTJOBXAJ-AXFHLTTASA-N 1 2 292.276 1.300 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC001030847574 723701337 /nfs/dbraw/zinc/70/13/37/723701337.db2.gz JZURHILNKVQHAT-OAHLLOKOSA-N 1 2 274.339 1.842 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cncc(C#N)c1 ZINC000929235524 723712008 /nfs/dbraw/zinc/71/20/08/723712008.db2.gz NBPJDEWRERJLDL-ZDUSSCGKSA-N 1 2 258.325 1.006 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000929235524 723712009 /nfs/dbraw/zinc/71/20/09/723712009.db2.gz NBPJDEWRERJLDL-ZDUSSCGKSA-N 1 2 258.325 1.006 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCO[C@@H](CCC)C2)C1 ZINC001031155360 723731742 /nfs/dbraw/zinc/73/17/42/723731742.db2.gz KWDJDKGHHYGEOF-HIFRSBDPSA-N 1 2 278.396 1.405 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc[nH]c1C1CC1 ZINC001038653549 723738239 /nfs/dbraw/zinc/73/82/39/723738239.db2.gz XPKNLRIQOATWOC-LBPRGKRZSA-N 1 2 257.337 1.329 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc[nH]c1C1CC1 ZINC001038653549 723738240 /nfs/dbraw/zinc/73/82/40/723738240.db2.gz XPKNLRIQOATWOC-LBPRGKRZSA-N 1 2 257.337 1.329 20 30 CDEDLO C=CCOCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852756878 723738495 /nfs/dbraw/zinc/73/84/95/723738495.db2.gz XDUVCJGIKBULSP-MNOVXSKESA-N 1 2 294.317 1.578 20 30 CDEDLO C=CCOCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852756878 723738497 /nfs/dbraw/zinc/73/84/97/723738497.db2.gz XDUVCJGIKBULSP-MNOVXSKESA-N 1 2 294.317 1.578 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC(C)C)cn1 ZINC001032822686 723739094 /nfs/dbraw/zinc/73/90/94/723739094.db2.gz VDWICFVHIYRKLL-KBPBESRZSA-N 1 2 299.374 1.401 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC(C)C)cn1 ZINC001032822686 723739096 /nfs/dbraw/zinc/73/90/96/723739096.db2.gz VDWICFVHIYRKLL-KBPBESRZSA-N 1 2 299.374 1.401 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001038263961 723847917 /nfs/dbraw/zinc/84/79/17/723847917.db2.gz UDEXBELDLXJXOO-CHWSQXEVSA-N 1 2 286.379 1.043 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001038263961 723847918 /nfs/dbraw/zinc/84/79/18/723847918.db2.gz UDEXBELDLXJXOO-CHWSQXEVSA-N 1 2 286.379 1.043 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1occc1C)CCO2 ZINC001053158807 723860747 /nfs/dbraw/zinc/86/07/47/723860747.db2.gz UOWLHMUQCHGWCV-UHFFFAOYSA-N 1 2 290.363 1.691 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC001015887501 723883481 /nfs/dbraw/zinc/88/34/81/723883481.db2.gz WSDNCLUJNFEASJ-LBPRGKRZSA-N 1 2 284.363 1.943 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC001015887501 723883482 /nfs/dbraw/zinc/88/34/82/723883482.db2.gz WSDNCLUJNFEASJ-LBPRGKRZSA-N 1 2 284.363 1.943 20 30 CDEDLO Cc1nn(-c2ccccc2)c(N)c1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000794926548 723897440 /nfs/dbraw/zinc/89/74/40/723897440.db2.gz AQHKWWXZEHEICK-SNVBAGLBSA-N 1 2 297.366 1.034 20 30 CDEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]NC1=NC[C@@H](C)N1 ZINC000794926548 723897441 /nfs/dbraw/zinc/89/74/41/723897441.db2.gz AQHKWWXZEHEICK-SNVBAGLBSA-N 1 2 297.366 1.034 20 30 CDEDLO CC[C@@H](C)NC(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000048706937 723900946 /nfs/dbraw/zinc/90/09/46/723900946.db2.gz GDEKFFSFSHMZPU-LLVKDONJSA-N 1 2 263.341 1.433 20 30 CDEDLO C#C[C@@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000174442139 723996758 /nfs/dbraw/zinc/99/67/58/723996758.db2.gz JRGWPXKGZFCMSV-SNVBAGLBSA-N 1 2 285.259 1.959 20 30 CDEDLO CN1CC[NH+](Cc2cccc(NC(=O)C#CC3CC3)c2)CC1 ZINC000837365658 723999438 /nfs/dbraw/zinc/99/94/38/723999438.db2.gz OILYMQGJSMBJGW-UHFFFAOYSA-N 1 2 297.402 1.786 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)n(CC2CC2)c1C ZINC001038934602 724044572 /nfs/dbraw/zinc/04/45/72/724044572.db2.gz JHJQRQQEEVYHSC-INIZCTEOSA-N 1 2 299.418 1.952 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)n(CC2CC2)c1C ZINC001038934602 724044573 /nfs/dbraw/zinc/04/45/73/724044573.db2.gz JHJQRQQEEVYHSC-INIZCTEOSA-N 1 2 299.418 1.952 20 30 CDEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC)C2)CC1 ZINC001065676132 724089276 /nfs/dbraw/zinc/08/92/76/724089276.db2.gz WOSZKNIWZLQQEW-AWEZNQCLSA-N 1 2 293.411 1.108 20 30 CDEDLO C=C(C)C[C@H](CO)Nc1cc(CC(=O)OC)cc[nH+]1 ZINC000883005588 724139378 /nfs/dbraw/zinc/13/93/78/724139378.db2.gz ROQCCNDPPUEPQT-GFCCVEGCSA-N 1 2 264.325 1.536 20 30 CDEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)C(F)F)C[C@H]21 ZINC001074137422 724155171 /nfs/dbraw/zinc/15/51/71/724155171.db2.gz QTOVZLFUFVWHCB-MNOVXSKESA-N 1 2 274.311 1.129 20 30 CDEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(F)F)C[C@H]21 ZINC001074137422 724155179 /nfs/dbraw/zinc/15/51/79/724155179.db2.gz QTOVZLFUFVWHCB-MNOVXSKESA-N 1 2 274.311 1.129 20 30 CDEDLO C[C@H]1[C@@H](NC(=O)c2cccc3[nH+]ccn32)CCCN1CC#N ZINC000993598603 724199924 /nfs/dbraw/zinc/19/99/24/724199924.db2.gz JKMIQRBXGJFCFM-STQMWFEESA-N 1 2 297.362 1.441 20 30 CDEDLO Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)no1 ZINC001075619891 724227557 /nfs/dbraw/zinc/22/75/57/724227557.db2.gz RWHJVOWSOXWMQU-VHRBIJSZSA-N 1 2 288.351 1.175 20 30 CDEDLO Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)no1 ZINC001075619891 724227564 /nfs/dbraw/zinc/22/75/64/724227564.db2.gz RWHJVOWSOXWMQU-VHRBIJSZSA-N 1 2 288.351 1.175 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2C[C@@]23CCOC3)C1 ZINC001032117126 724299042 /nfs/dbraw/zinc/29/90/42/724299042.db2.gz WMNDYQYIMJKURW-TZMCWYRMSA-N 1 2 284.787 1.214 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccn(C)c2)C1 ZINC001010549501 724311511 /nfs/dbraw/zinc/31/15/11/724311511.db2.gz AAIGRUVRMOZEOB-GFCCVEGCSA-N 1 2 267.760 1.582 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(C)c2)C1 ZINC001010549501 724311513 /nfs/dbraw/zinc/31/15/13/724311513.db2.gz AAIGRUVRMOZEOB-GFCCVEGCSA-N 1 2 267.760 1.582 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CC(C)(C)C)C1 ZINC000885511528 725074162 /nfs/dbraw/zinc/07/41/62/725074162.db2.gz IRMGJROYMFNCBC-LBPRGKRZSA-N 1 2 272.414 1.050 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CC(C)(C)C)C1 ZINC000885511528 725074167 /nfs/dbraw/zinc/07/41/67/725074167.db2.gz IRMGJROYMFNCBC-LBPRGKRZSA-N 1 2 272.414 1.050 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2=COCCO2)C1 ZINC001006650593 725049349 /nfs/dbraw/zinc/04/93/49/725049349.db2.gz KANDNPRYJKVTLJ-LLVKDONJSA-N 1 2 286.759 1.208 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2=COCCO2)C1 ZINC001006650593 725049353 /nfs/dbraw/zinc/04/93/53/725049353.db2.gz KANDNPRYJKVTLJ-LLVKDONJSA-N 1 2 286.759 1.208 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncc2n1CCCC2 ZINC001039032422 725049516 /nfs/dbraw/zinc/04/95/16/725049516.db2.gz KLZYDWVGFJVGHW-ZDUSSCGKSA-N 1 2 286.379 1.047 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ncc2n1CCCC2 ZINC001039032422 725049519 /nfs/dbraw/zinc/04/95/19/725049519.db2.gz KLZYDWVGFJVGHW-ZDUSSCGKSA-N 1 2 286.379 1.047 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H](F)c2ccccc2)C1 ZINC001031020083 725059803 /nfs/dbraw/zinc/05/98/03/725059803.db2.gz OZXJIEVWMULLRW-CQSZACIVSA-N 1 2 260.312 1.521 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CCC(O)CC2)C1 ZINC001010765128 725070630 /nfs/dbraw/zinc/07/06/30/725070630.db2.gz IDQLUURHCXXDQS-OTTFEQOBSA-N 1 2 286.803 1.481 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CCC(O)CC2)C1 ZINC001010765128 725070632 /nfs/dbraw/zinc/07/06/32/725070632.db2.gz IDQLUURHCXXDQS-OTTFEQOBSA-N 1 2 286.803 1.481 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccnc(C)n1 ZINC001028324265 725071103 /nfs/dbraw/zinc/07/11/03/725071103.db2.gz BJVFRTYTXAPEKA-GFCCVEGCSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnc(C)n1 ZINC001028324265 725071106 /nfs/dbraw/zinc/07/11/06/725071106.db2.gz BJVFRTYTXAPEKA-GFCCVEGCSA-N 1 2 294.786 1.732 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cncc(COC)c2)C1 ZINC001042959814 725077849 /nfs/dbraw/zinc/07/78/49/725077849.db2.gz FMCCPJVAXTUMJK-UHFFFAOYSA-N 1 2 287.363 1.008 20 30 CDEDLO CCCc1nc(CO[NH+]=C(N)Cc2cccnc2)no1 ZINC000179923781 725087686 /nfs/dbraw/zinc/08/76/86/725087686.db2.gz QYQHMSXBQSGQPP-UHFFFAOYSA-N 1 2 275.312 1.449 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]ccc1C1CC1 ZINC001032438925 725106819 /nfs/dbraw/zinc/10/68/19/725106819.db2.gz PVJQURCGDHCRON-STQMWFEESA-N 1 2 269.348 1.424 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]ccc1C1CC1 ZINC001032438925 725106824 /nfs/dbraw/zinc/10/68/24/725106824.db2.gz PVJQURCGDHCRON-STQMWFEESA-N 1 2 269.348 1.424 20 30 CDEDLO CCOC(=O)c1cnc(N=NCc2c[nH+]cn2C)nc1C ZINC000777892673 725120008 /nfs/dbraw/zinc/12/00/08/725120008.db2.gz ZPGYGLADVCERAI-UHFFFAOYSA-N 1 2 288.311 1.141 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc[nH]c1C)O2 ZINC001053589882 725123170 /nfs/dbraw/zinc/12/31/70/725123170.db2.gz UATCSUYYDAQECB-ZDUSSCGKSA-N 1 2 289.379 1.472 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(CC)c1 ZINC001017738686 725137007 /nfs/dbraw/zinc/13/70/07/725137007.db2.gz WVLTVSZPJOMMAG-CALCHBBNSA-N 1 2 297.402 1.956 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(CC)c1 ZINC001017738686 725137011 /nfs/dbraw/zinc/13/70/11/725137011.db2.gz WVLTVSZPJOMMAG-CALCHBBNSA-N 1 2 297.402 1.956 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CC(=C)Cl)C1 ZINC001046631000 725138598 /nfs/dbraw/zinc/13/85/98/725138598.db2.gz BMWZKLZISFVEFZ-VNHYZAJKSA-N 1 2 298.814 1.911 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CC(=C)Cl)C1 ZINC001046631000 725138602 /nfs/dbraw/zinc/13/86/02/725138602.db2.gz BMWZKLZISFVEFZ-VNHYZAJKSA-N 1 2 298.814 1.911 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)n[nH]c1C ZINC001018073309 725143232 /nfs/dbraw/zinc/14/32/32/725143232.db2.gz QFYRUXRBNQFGHL-OKILXGFUSA-N 1 2 286.379 1.339 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)n[nH]c1C ZINC001018073309 725143236 /nfs/dbraw/zinc/14/32/36/725143236.db2.gz QFYRUXRBNQFGHL-OKILXGFUSA-N 1 2 286.379 1.339 20 30 CDEDLO CON(C)C(=O)[C@H](CCSC)[NH2+]C[C@@H](C#N)CCC#N ZINC000819172536 725145982 /nfs/dbraw/zinc/14/59/82/725145982.db2.gz ZBZIEIRPMVZCEI-NEPJUHHUSA-N 1 2 298.412 1.161 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCO[C@H](C)C2)C1 ZINC001031153597 725150457 /nfs/dbraw/zinc/15/04/57/725150457.db2.gz RRYMXUCYPMABAM-VXGBXAGGSA-N 1 2 252.358 1.178 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@]2(C)CCO[C@H]2C)C1 ZINC001043452543 725152182 /nfs/dbraw/zinc/15/21/82/725152182.db2.gz INBHNYBMACLVEB-SWLSCSKDSA-N 1 2 266.385 1.520 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnc3n2[C@H](C)CCC3)C1 ZINC001030345211 725156783 /nfs/dbraw/zinc/15/67/83/725156783.db2.gz BAZFPYSMTCBHKC-GFCCVEGCSA-N 1 2 288.395 1.771 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccoc1C)CO2 ZINC001053732991 725164906 /nfs/dbraw/zinc/16/49/06/725164906.db2.gz KIMKLRJBIWMBCF-CYBMUJFWSA-N 1 2 290.363 1.737 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(C)C)n[nH]1 ZINC001017979486 725180022 /nfs/dbraw/zinc/18/00/22/725180022.db2.gz YAPVPPQDGNQGNJ-BETUJISGSA-N 1 2 286.379 1.455 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(C)C)n[nH]1 ZINC001017979486 725180025 /nfs/dbraw/zinc/18/00/25/725180025.db2.gz YAPVPPQDGNQGNJ-BETUJISGSA-N 1 2 286.379 1.455 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)=C(C)C ZINC001017472110 725180253 /nfs/dbraw/zinc/18/02/53/725180253.db2.gz VSNSZWIVLNIPDL-BETUJISGSA-N 1 2 264.344 1.948 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)=C(C)C ZINC001017472110 725180255 /nfs/dbraw/zinc/18/02/55/725180255.db2.gz VSNSZWIVLNIPDL-BETUJISGSA-N 1 2 264.344 1.948 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NCCCC(=O)NC ZINC000853191788 725180430 /nfs/dbraw/zinc/18/04/30/725180430.db2.gz DESUVMSFJYBXON-UHFFFAOYSA-N 1 2 275.352 1.812 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2nc(CCOC)no2)CC1 ZINC000886764613 725186999 /nfs/dbraw/zinc/18/69/99/725186999.db2.gz WWPRHWCVPCTVQD-UHFFFAOYSA-N 1 2 281.356 1.162 20 30 CDEDLO C#CCC1([NH2+][C@H](C)C(=O)OCCCC)CCOCC1 ZINC000887124736 725196077 /nfs/dbraw/zinc/19/60/77/725196077.db2.gz QXGMMHJLMKFDFX-CYBMUJFWSA-N 1 2 267.369 1.880 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)cc(F)c1 ZINC001038733471 725197323 /nfs/dbraw/zinc/19/73/23/725197323.db2.gz QAQHUXOAGGCAIK-HNNXBMFYSA-N 1 2 274.339 1.962 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)cc(F)c1 ZINC001038733471 725197324 /nfs/dbraw/zinc/19/73/24/725197324.db2.gz QAQHUXOAGGCAIK-HNNXBMFYSA-N 1 2 274.339 1.962 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccn(C)c2)C1 ZINC001033007020 725198995 /nfs/dbraw/zinc/19/89/95/725198995.db2.gz XYRIEABWXGLHJA-CYBMUJFWSA-N 1 2 281.787 1.924 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(C)c2)C1 ZINC001033007020 725198996 /nfs/dbraw/zinc/19/89/96/725198996.db2.gz XYRIEABWXGLHJA-CYBMUJFWSA-N 1 2 281.787 1.924 20 30 CDEDLO Cc1nnc([C@@H](C)O[NH+]=C(N)Cc2ccccc2)o1 ZINC000122206143 725212061 /nfs/dbraw/zinc/21/20/61/725212061.db2.gz JJXPQDJCFKJUCA-SECBINFHSA-N 1 2 260.297 1.971 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2cnc(C)s2)C1 ZINC001030146592 725216359 /nfs/dbraw/zinc/21/63/59/725216359.db2.gz VSTYXESEIWCEKW-UHFFFAOYSA-N 1 2 251.355 1.442 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886793196 725221495 /nfs/dbraw/zinc/22/14/95/725221495.db2.gz DBIHJXJPWXBVAV-QWRGUYRKSA-N 1 2 275.274 1.677 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886793196 725221496 /nfs/dbraw/zinc/22/14/96/725221496.db2.gz DBIHJXJPWXBVAV-QWRGUYRKSA-N 1 2 275.274 1.677 20 30 CDEDLO CCC#C[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879762885 725238239 /nfs/dbraw/zinc/23/82/39/725238239.db2.gz HCOTWNLRGYHOMP-JQWIXIFHSA-N 1 2 276.302 1.931 20 30 CDEDLO CCC#C[C@H](C)[N@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879762885 725238242 /nfs/dbraw/zinc/23/82/42/725238242.db2.gz HCOTWNLRGYHOMP-JQWIXIFHSA-N 1 2 276.302 1.931 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC[C@@H](F)C1)CCO2 ZINC001053397148 725240860 /nfs/dbraw/zinc/24/08/60/725240860.db2.gz MHCPQNANUZBTRX-UONOGXRCSA-N 1 2 296.386 1.614 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn3ncccc23)C1 ZINC001042940193 725246200 /nfs/dbraw/zinc/24/62/00/725246200.db2.gz RSUZOGHAQCSRGE-UHFFFAOYSA-N 1 2 285.351 1.062 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@H](CC)O2)C1 ZINC001042827413 725249736 /nfs/dbraw/zinc/24/97/36/725249736.db2.gz ISQMWCOBZOTYTH-KBPBESRZSA-N 1 2 266.385 1.663 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC2(F)F)C1 ZINC001014892703 725275459 /nfs/dbraw/zinc/27/54/59/725275459.db2.gz VCMDAWIDTFZOHI-VHSXEESVSA-N 1 2 278.730 1.975 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC2(F)F)C1 ZINC001014892703 725275460 /nfs/dbraw/zinc/27/54/60/725275460.db2.gz VCMDAWIDTFZOHI-VHSXEESVSA-N 1 2 278.730 1.975 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC)nc1C1CC1 ZINC001032426858 725297926 /nfs/dbraw/zinc/29/79/26/725297926.db2.gz ZLROKLGRLOTFMF-KBPBESRZSA-N 1 2 298.390 1.312 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC)nc1C1CC1 ZINC001032426858 725297927 /nfs/dbraw/zinc/29/79/27/725297927.db2.gz ZLROKLGRLOTFMF-KBPBESRZSA-N 1 2 298.390 1.312 20 30 CDEDLO COc1ccc2c(c1)C[N@@H+](C[C@H](O)CC#N)CCO2 ZINC000930642987 725301363 /nfs/dbraw/zinc/30/13/63/725301363.db2.gz PFPKHVMCCNTQCD-GFCCVEGCSA-N 1 2 262.309 1.164 20 30 CDEDLO COc1ccc2c(c1)C[N@H+](C[C@H](O)CC#N)CCO2 ZINC000930642987 725301366 /nfs/dbraw/zinc/30/13/66/725301366.db2.gz PFPKHVMCCNTQCD-GFCCVEGCSA-N 1 2 262.309 1.164 20 30 CDEDLO C=CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCc3c[nH]nc32)C1 ZINC001042725634 725307625 /nfs/dbraw/zinc/30/76/25/725307625.db2.gz YDTPMVAXFWQQNB-CQSZACIVSA-N 1 2 288.395 1.548 20 30 CDEDLO C#CCOc1ccc(C[NH2+][C@H](C)c2nnnn2C2CC2)cc1 ZINC000191827848 725307885 /nfs/dbraw/zinc/30/78/85/725307885.db2.gz QOHAPILTKRJECT-GFCCVEGCSA-N 1 2 297.362 1.871 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(C)(C(C)C)CC1 ZINC000884333068 725330284 /nfs/dbraw/zinc/33/02/84/725330284.db2.gz BRYAUYUHRMBRMH-ZDUSSCGKSA-N 1 2 296.411 1.718 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc3n(n2)CCCC3)C1 ZINC001043024336 725334333 /nfs/dbraw/zinc/33/43/33/725334333.db2.gz LNVIFZNGSGGMMS-UHFFFAOYSA-N 1 2 288.395 1.552 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1OCC[C@@H]1c1ccccc1 ZINC001038799145 725348093 /nfs/dbraw/zinc/34/80/93/725348093.db2.gz BWAHWWLSHMRABA-BRWVUGGUSA-N 1 2 298.386 1.383 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1OCC[C@@H]1c1ccccc1 ZINC001038799145 725348096 /nfs/dbraw/zinc/34/80/96/725348096.db2.gz BWAHWWLSHMRABA-BRWVUGGUSA-N 1 2 298.386 1.383 20 30 CDEDLO N#CC1(C(=O)OCCCn2cc[nH+]c2)CCOCC1 ZINC000784188936 725351643 /nfs/dbraw/zinc/35/16/43/725351643.db2.gz OHUSZMGMDUKEBM-UHFFFAOYSA-N 1 2 263.297 1.137 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C1CCOCC1 ZINC001032820233 725360564 /nfs/dbraw/zinc/36/05/64/725360564.db2.gz NZMFGWNRXHGELO-KBMXLJTQSA-N 1 2 290.407 1.358 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C1CCOCC1 ZINC001032820233 725360567 /nfs/dbraw/zinc/36/05/67/725360567.db2.gz NZMFGWNRXHGELO-KBMXLJTQSA-N 1 2 290.407 1.358 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2[nH]nc(C)c2C)[C@@H]1C ZINC000993143576 725363629 /nfs/dbraw/zinc/36/36/29/725363629.db2.gz UODVYGSAMDQLJQ-UONOGXRCSA-N 1 2 288.395 1.633 20 30 CDEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2[nH]nc(C)c2C)[C@@H]1C ZINC000993143576 725363631 /nfs/dbraw/zinc/36/36/31/725363631.db2.gz UODVYGSAMDQLJQ-UONOGXRCSA-N 1 2 288.395 1.633 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2coc(CC)n2)C1 ZINC001035339797 725366710 /nfs/dbraw/zinc/36/67/10/725366710.db2.gz BXOGOLYJKOOLFM-GFCCVEGCSA-N 1 2 293.367 1.244 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2coc(CC)n2)C1 ZINC001035339797 725366712 /nfs/dbraw/zinc/36/67/12/725366712.db2.gz BXOGOLYJKOOLFM-GFCCVEGCSA-N 1 2 293.367 1.244 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)CC2CC(OCC)C2)C1 ZINC001030828864 725367027 /nfs/dbraw/zinc/36/70/27/725367027.db2.gz VFLXAXLXFNVGMX-UHFFFAOYSA-N 1 2 264.369 1.015 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)C1CC1)CO2 ZINC001053900604 725373726 /nfs/dbraw/zinc/37/37/26/725373726.db2.gz QBRLUJJEGMGWIX-CQSZACIVSA-N 1 2 290.407 1.405 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C2(C)CC(F)(F)C2)C1 ZINC001031237555 725384881 /nfs/dbraw/zinc/38/48/81/725384881.db2.gz GKGKXHSUHBTMQP-UHFFFAOYSA-N 1 2 258.312 1.798 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1Cl ZINC001032742321 725380007 /nfs/dbraw/zinc/38/00/07/725380007.db2.gz KOYGKKJMJHRQEX-QWRGUYRKSA-N 1 2 275.739 1.267 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1Cl ZINC001032742321 725380008 /nfs/dbraw/zinc/38/00/08/725380008.db2.gz KOYGKKJMJHRQEX-QWRGUYRKSA-N 1 2 275.739 1.267 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)CC(C)(C)C#N ZINC000928650003 725384032 /nfs/dbraw/zinc/38/40/32/725384032.db2.gz JMHDXKYVPRIZGG-LBPRGKRZSA-N 1 2 267.373 1.153 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2C[C@H]3CCC[C@H]3O2)nn1 ZINC000881397010 725387439 /nfs/dbraw/zinc/38/74/39/725387439.db2.gz SVOJGGAAGQIHGD-VHDGCEQUSA-N 1 2 274.368 1.349 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000877748052 725391923 /nfs/dbraw/zinc/39/19/23/725391923.db2.gz OHWCKYPJDWGIBS-UHFFFAOYSA-N 1 2 263.316 1.563 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000884057664 725402743 /nfs/dbraw/zinc/40/27/43/725402743.db2.gz NPMZXUMCIOUQOD-JSGCOSHPSA-N 1 2 290.363 1.653 20 30 CDEDLO C#C[C@H](NC(=O)NCc1c[nH+]c(C)cc1C)[C@H]1CCCO1 ZINC000836408930 725403166 /nfs/dbraw/zinc/40/31/66/725403166.db2.gz OTAGKOAITFQRJO-LSDHHAIUSA-N 1 2 287.363 1.678 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](F)C1 ZINC001017854842 725403597 /nfs/dbraw/zinc/40/35/97/725403597.db2.gz DOWVKVWRSLEKCG-ZQDZILKHSA-N 1 2 278.371 1.823 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](F)C1 ZINC001017854842 725403598 /nfs/dbraw/zinc/40/35/98/725403598.db2.gz DOWVKVWRSLEKCG-ZQDZILKHSA-N 1 2 278.371 1.823 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)C[C@H](C)CC ZINC000884141959 725403723 /nfs/dbraw/zinc/40/37/23/725403723.db2.gz NQYULQWDUJBLAQ-WOPDTQHZSA-N 1 2 270.373 1.374 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1C ZINC001032270289 725405790 /nfs/dbraw/zinc/40/57/90/725405790.db2.gz PGWCZXBGBHXPGR-STQMWFEESA-N 1 2 258.321 1.510 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1C ZINC001032270289 725405791 /nfs/dbraw/zinc/40/57/91/725405791.db2.gz PGWCZXBGBHXPGR-STQMWFEESA-N 1 2 258.321 1.510 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2sccc2OC)C1 ZINC001016049480 725406032 /nfs/dbraw/zinc/40/60/32/725406032.db2.gz KIHNNGXPSKMBLY-SNVBAGLBSA-N 1 2 264.350 1.194 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2OC)C1 ZINC001016049480 725406033 /nfs/dbraw/zinc/40/60/33/725406033.db2.gz KIHNNGXPSKMBLY-SNVBAGLBSA-N 1 2 264.350 1.194 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CO[C@H](C)C1 ZINC001017675813 725406381 /nfs/dbraw/zinc/40/63/81/725406381.db2.gz KZJRUUXKSGUDPW-BARDWOONSA-N 1 2 276.380 1.110 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CO[C@H](C)C1 ZINC001017675813 725406382 /nfs/dbraw/zinc/40/63/82/725406382.db2.gz KZJRUUXKSGUDPW-BARDWOONSA-N 1 2 276.380 1.110 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1coc(C)c1)CO2 ZINC001053788272 725409920 /nfs/dbraw/zinc/40/99/20/725409920.db2.gz PEGNHNIFXVYEJO-CQSZACIVSA-N 1 2 290.363 1.737 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)CCCOC1 ZINC001032705241 725409942 /nfs/dbraw/zinc/40/99/42/725409942.db2.gz ZQQBBHSCNCVWKY-DZKIICNBSA-N 1 2 276.380 1.112 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)CCCOC1 ZINC001032705241 725409943 /nfs/dbraw/zinc/40/99/43/725409943.db2.gz ZQQBBHSCNCVWKY-DZKIICNBSA-N 1 2 276.380 1.112 20 30 CDEDLO Cc1cnn([C@@H]2CC[N@H+](Cn3ccc(C)c(C#N)c3=O)C2)c1 ZINC000811800816 725413164 /nfs/dbraw/zinc/41/31/64/725413164.db2.gz XQNJTNBSRYSVCA-CQSZACIVSA-N 1 2 297.362 1.438 20 30 CDEDLO Cc1cnn([C@@H]2CC[N@@H+](Cn3ccc(C)c(C#N)c3=O)C2)c1 ZINC000811800816 725413165 /nfs/dbraw/zinc/41/31/65/725413165.db2.gz XQNJTNBSRYSVCA-CQSZACIVSA-N 1 2 297.362 1.438 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](CN2CCC3(CCOCC3)C2=O)C1 ZINC000853525139 725413665 /nfs/dbraw/zinc/41/36/65/725413665.db2.gz TUJFPMXUFUSJFI-AWEZNQCLSA-N 1 2 291.395 1.599 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](CN2CCC3(CCOCC3)C2=O)C1 ZINC000853525139 725413666 /nfs/dbraw/zinc/41/36/66/725413666.db2.gz TUJFPMXUFUSJFI-AWEZNQCLSA-N 1 2 291.395 1.599 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C)c(OC)c2)C1 ZINC001030639022 725415419 /nfs/dbraw/zinc/41/54/19/725415419.db2.gz VNMOFXNIARUTSA-UHFFFAOYSA-N 1 2 272.348 1.441 20 30 CDEDLO N#Cc1cccc(OCC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000779096031 725416533 /nfs/dbraw/zinc/41/65/33/725416533.db2.gz NZJLYPKEKVSTBA-CYBMUJFWSA-N 1 2 296.330 1.265 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](CC)[C@@H]3C2)cc1 ZINC001074312221 725418885 /nfs/dbraw/zinc/41/88/85/725418885.db2.gz JIGKNOBSNQDEEM-SJORKVTESA-N 1 2 298.386 1.603 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](CC)[C@@H]3C2)cc1 ZINC001074312221 725418886 /nfs/dbraw/zinc/41/88/86/725418886.db2.gz JIGKNOBSNQDEEM-SJORKVTESA-N 1 2 298.386 1.603 20 30 CDEDLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1CCOc1ccccc1C#N ZINC000930832483 725419087 /nfs/dbraw/zinc/41/90/87/725419087.db2.gz JEFOFBTXPZBFKS-YNEHKIRRSA-N 1 2 287.363 1.534 20 30 CDEDLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1CCOc1ccccc1C#N ZINC000930832483 725419088 /nfs/dbraw/zinc/41/90/88/725419088.db2.gz JEFOFBTXPZBFKS-YNEHKIRRSA-N 1 2 287.363 1.534 20 30 CDEDLO C=CCN1CC[C@H](O[NH+]=C(N)Cc2ccccc2C)C1=O ZINC000809997301 725428480 /nfs/dbraw/zinc/42/84/80/725428480.db2.gz ZJSKKNKNFHOBIC-AWEZNQCLSA-N 1 2 287.363 1.823 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000884307164 725428795 /nfs/dbraw/zinc/42/87/95/725428795.db2.gz AMPGLLHFJOONBB-AVGNSLFASA-N 1 2 282.384 1.470 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1occc1C(C)C ZINC001038626724 725456123 /nfs/dbraw/zinc/45/61/23/725456123.db2.gz HXFKHAZTYDAYDA-GFCCVEGCSA-N 1 2 260.337 1.840 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1occc1C(C)C ZINC001038626724 725456126 /nfs/dbraw/zinc/45/61/26/725456126.db2.gz HXFKHAZTYDAYDA-GFCCVEGCSA-N 1 2 260.337 1.840 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1ccccc1C ZINC001032764171 725460821 /nfs/dbraw/zinc/46/08/21/725460821.db2.gz HRUGHFCBTLSFBX-HOTGVXAUSA-N 1 2 298.386 1.682 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1ccccc1C ZINC001032764171 725460822 /nfs/dbraw/zinc/46/08/22/725460822.db2.gz HRUGHFCBTLSFBX-HOTGVXAUSA-N 1 2 298.386 1.682 20 30 CDEDLO C=C1CC(C)(C(=O)NC2C[NH+](C[C@H]3CC[C@@H](C)O3)C2)C1 ZINC001030924685 725462808 /nfs/dbraw/zinc/46/28/08/725462808.db2.gz WRMINXMJMCCQFN-TZMCWYRMSA-N 1 2 278.396 1.711 20 30 CDEDLO C#CC[C@H]1CCN(c2nc(NCCO)c3ccccc3[nH+]2)C1 ZINC000884594015 725474670 /nfs/dbraw/zinc/47/46/70/725474670.db2.gz YETNLKIJNINVAF-ZDUSSCGKSA-N 1 2 296.374 1.884 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001030861826 725490353 /nfs/dbraw/zinc/49/03/53/725490353.db2.gz GMDQDRAAXADMJQ-UHFFFAOYSA-N 1 2 268.320 1.000 20 30 CDEDLO C=C[C@@H](C(=O)OC)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000800358655 725504525 /nfs/dbraw/zinc/50/45/25/725504525.db2.gz AVFYWDHHEZFAMD-NSHDSACASA-N 1 2 276.327 1.375 20 30 CDEDLO C=C[C@@H](C(=O)OC)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000800358655 725504528 /nfs/dbraw/zinc/50/45/28/725504528.db2.gz AVFYWDHHEZFAMD-NSHDSACASA-N 1 2 276.327 1.375 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ncn(C)n2)CC[C@H]1C ZINC001071487376 725517671 /nfs/dbraw/zinc/51/76/71/725517671.db2.gz IQNPWIYCLPXRND-MNOVXSKESA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ncn(C)n2)CC[C@H]1C ZINC001071487376 725517675 /nfs/dbraw/zinc/51/76/75/725517675.db2.gz IQNPWIYCLPXRND-MNOVXSKESA-N 1 2 297.790 1.150 20 30 CDEDLO C#CC[C@@H](CCOC)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000861037462 725561074 /nfs/dbraw/zinc/56/10/74/725561074.db2.gz YCCLAUPJANDOHG-LBPRGKRZSA-N 1 2 286.335 1.884 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2cccc3[nH]ncc32)C1 ZINC001043503219 725587951 /nfs/dbraw/zinc/58/79/51/725587951.db2.gz PLSHUTCEJABWNU-UHFFFAOYSA-N 1 2 270.336 1.505 20 30 CDEDLO C#CC[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1ccccc1 ZINC000866997926 725605183 /nfs/dbraw/zinc/60/51/83/725605183.db2.gz AXVKCXGDSNZTPE-IVEQORNPSA-N 1 2 298.386 1.756 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1CC(C)C1)CO2 ZINC001053771610 725612239 /nfs/dbraw/zinc/61/22/39/725612239.db2.gz QAPWGIGWVQOQCQ-RUXDESIVSA-N 1 2 278.396 1.568 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2nncs2)C1 ZINC001019233110 725658684 /nfs/dbraw/zinc/65/86/84/725658684.db2.gz FABFADSQHNOBJL-NSHDSACASA-N 1 2 294.424 1.831 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnc3ccccc3n2)C1 ZINC001042926542 725935871 /nfs/dbraw/zinc/93/58/71/725935871.db2.gz DLDHPCFUJNNEIB-UHFFFAOYSA-N 1 2 296.374 1.962 20 30 CDEDLO C#CCCCCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000853852810 725943146 /nfs/dbraw/zinc/94/31/46/725943146.db2.gz OVPLWVWPCDZMPN-UONOGXRCSA-N 1 2 281.400 1.198 20 30 CDEDLO C#CCCCCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000853852810 725943147 /nfs/dbraw/zinc/94/31/47/725943147.db2.gz OVPLWVWPCDZMPN-UONOGXRCSA-N 1 2 281.400 1.198 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccncc2OC(C)C)C1 ZINC001030735273 725967442 /nfs/dbraw/zinc/96/74/42/725967442.db2.gz SOUZNVWWYMBQTN-UHFFFAOYSA-N 1 2 287.363 1.306 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCO3)[C@@H]2C1 ZINC001075525487 725967912 /nfs/dbraw/zinc/96/79/12/725967912.db2.gz HZCIUJXQUSFLNK-YNEHKIRRSA-N 1 2 284.787 1.451 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCO3)[C@@H]2C1 ZINC001075525487 725967913 /nfs/dbraw/zinc/96/79/13/725967913.db2.gz HZCIUJXQUSFLNK-YNEHKIRRSA-N 1 2 284.787 1.451 20 30 CDEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccco3)C2)CC1 ZINC001051973124 725975130 /nfs/dbraw/zinc/97/51/30/725975130.db2.gz UGAHZDJSKFIDBW-AWEZNQCLSA-N 1 2 289.379 1.298 20 30 CDEDLO C#CCC[NH+]1CC(CNC(=O)c2n[nH]c3ccccc32)C1 ZINC001032166211 725981815 /nfs/dbraw/zinc/98/18/15/725981815.db2.gz MYBDQHJGWITROY-UHFFFAOYSA-N 1 2 282.347 1.248 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ncnc3ccsc32)C1 ZINC001030411015 725985656 /nfs/dbraw/zinc/98/56/56/725985656.db2.gz FLPDOAQVOSKNCS-UHFFFAOYSA-N 1 2 286.360 1.129 20 30 CDEDLO CCOc1ccccc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000819392451 725996146 /nfs/dbraw/zinc/99/61/46/725996146.db2.gz CAXUIXJRZUDSSM-CYBMUJFWSA-N 1 2 277.368 1.704 20 30 CDEDLO CCOc1ccccc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000819392451 725996148 /nfs/dbraw/zinc/99/61/48/725996148.db2.gz CAXUIXJRZUDSSM-CYBMUJFWSA-N 1 2 277.368 1.704 20 30 CDEDLO CC[C@@H](CC#N)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897400007 725997837 /nfs/dbraw/zinc/99/78/37/725997837.db2.gz FIYUVMRQTKBNPN-GWCFXTLKSA-N 1 2 275.356 1.598 20 30 CDEDLO CC[C@@H](CC#N)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000897400007 725997838 /nfs/dbraw/zinc/99/78/38/725997838.db2.gz FIYUVMRQTKBNPN-GWCFXTLKSA-N 1 2 275.356 1.598 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2C[C@H]2C(C)C)C1 ZINC001044112764 726004469 /nfs/dbraw/zinc/00/44/69/726004469.db2.gz SMHZLDRYAAOQJA-KBPBESRZSA-N 1 2 250.386 1.997 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2ncc(Cl)s2)C1 ZINC001030673433 912440541 /nfs/dbraw/zinc/44/05/41/912440541.db2.gz ANMNDEZTUXJYHA-UHFFFAOYSA-N 1 2 271.773 1.787 20 30 CDEDLO COc1ccnc(C(=N)Nc2ccc3[nH]c[nH+]c3c2)n1 ZINC001168428485 912699734 /nfs/dbraw/zinc/69/97/34/912699734.db2.gz SNTYKAAOHTXCBS-UHFFFAOYSA-N 1 2 268.280 1.399 20 30 CDEDLO C=C(Cl)C(C)(C)C(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001128184678 921117681 /nfs/dbraw/zinc/11/76/81/921117681.db2.gz UOOWMUTVFQTQOA-UHFFFAOYSA-N 1 2 286.763 1.363 20 30 CDEDLO Cc1nc(NCC[C@H](C)NC(=O)[C@H](C)C#N)cc[nH+]1 ZINC001106269279 913753514 /nfs/dbraw/zinc/75/35/14/913753514.db2.gz RPXNIDUQYMCMNQ-ZJUUUORDSA-N 1 2 261.329 1.251 20 30 CDEDLO C#CCSCC(=O)OCCCc1[nH+]ccn1C ZINC001122661513 913885998 /nfs/dbraw/zinc/88/59/98/913885998.db2.gz RHFPAXNGVOCZBT-UHFFFAOYSA-N 1 2 252.339 1.262 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCOC[C@H](O)C2)c1Cl ZINC001140808322 898475571 /nfs/dbraw/zinc/47/55/71/898475571.db2.gz QVLUJJXSKTYSJO-GFCCVEGCSA-N 1 2 266.728 1.405 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@H](O)C2)c1Cl ZINC001140808322 898475580 /nfs/dbraw/zinc/47/55/80/898475580.db2.gz QVLUJJXSKTYSJO-GFCCVEGCSA-N 1 2 266.728 1.405 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cn1ccccc1=O ZINC001481017103 898502996 /nfs/dbraw/zinc/50/29/96/898502996.db2.gz QCRBNIMUNLSCOZ-UHFFFAOYSA-N 1 2 297.786 1.039 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cn1ccccc1=O ZINC001481017103 898502999 /nfs/dbraw/zinc/50/29/99/898502999.db2.gz QCRBNIMUNLSCOZ-UHFFFAOYSA-N 1 2 297.786 1.039 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)c2cccnc2)C1 ZINC001031274655 914322792 /nfs/dbraw/zinc/32/27/92/914322792.db2.gz PCQMYLWFEVZTMR-GFCCVEGCSA-N 1 2 257.337 1.009 20 30 CDEDLO C#CCCCCC(=O)NCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001125938786 900092019 /nfs/dbraw/zinc/09/20/19/900092019.db2.gz KEIWCYKHAHUCGI-CYBMUJFWSA-N 1 2 277.368 1.943 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C#CC(C)C)C[C@H]21 ZINC001177020120 914436396 /nfs/dbraw/zinc/43/63/96/914436396.db2.gz WBWNNVMYQLWMJL-CVEARBPZSA-N 1 2 290.407 1.524 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C#CC(C)C)C[C@H]21 ZINC001177020120 914436409 /nfs/dbraw/zinc/43/64/09/914436409.db2.gz WBWNNVMYQLWMJL-CVEARBPZSA-N 1 2 290.407 1.524 20 30 CDEDLO CC(C)C[C@@](C)(C#N)NC(=O)CN(C)c1cccc[nH+]1 ZINC001177417301 914677576 /nfs/dbraw/zinc/67/75/76/914677576.db2.gz NPYVJPZTSMULEV-HNNXBMFYSA-N 1 2 274.368 1.962 20 30 CDEDLO C=CCS(=O)(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000711123519 903735501 /nfs/dbraw/zinc/73/55/01/903735501.db2.gz ZBXIKESGWCVPCY-AWEZNQCLSA-N 1 2 280.393 1.491 20 30 CDEDLO C=CCS(=O)(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000711123519 903735504 /nfs/dbraw/zinc/73/55/04/903735504.db2.gz ZBXIKESGWCVPCY-AWEZNQCLSA-N 1 2 280.393 1.491 20 30 CDEDLO C=CCS(=O)(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000711177878 903768040 /nfs/dbraw/zinc/76/80/40/903768040.db2.gz UFHPJRZPFMOIIB-AWEZNQCLSA-N 1 2 294.420 1.709 20 30 CDEDLO C=CCS(=O)(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000711177878 903768049 /nfs/dbraw/zinc/76/80/49/903768049.db2.gz UFHPJRZPFMOIIB-AWEZNQCLSA-N 1 2 294.420 1.709 20 30 CDEDLO COc1ccc(C#N)c(NCCCn2cc[nH+]c2)n1 ZINC001161689381 905259350 /nfs/dbraw/zinc/25/93/50/905259350.db2.gz RAFAVYLNYWUFGB-UHFFFAOYSA-N 1 2 257.297 1.661 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2[nH]nc3c2CCC3)[C@H]1CC ZINC001087637795 905737030 /nfs/dbraw/zinc/73/70/30/905737030.db2.gz LFWFXOTYRCJHSG-UONOGXRCSA-N 1 2 286.379 1.114 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3c2CCC3)[C@H]1CC ZINC001087637795 905737038 /nfs/dbraw/zinc/73/70/38/905737038.db2.gz LFWFXOTYRCJHSG-UONOGXRCSA-N 1 2 286.379 1.114 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nnc(C(C)C)o1 ZINC001128405406 921295787 /nfs/dbraw/zinc/29/57/87/921295787.db2.gz YARHDHQJFORWQK-UHFFFAOYSA-N 1 2 280.372 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CCCC2)[C@H](O)C1 ZINC001090005181 921307416 /nfs/dbraw/zinc/30/74/16/921307416.db2.gz BBXWDTLECAFVTL-QWHCGFSZSA-N 1 2 286.803 1.481 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CCCC2)[C@H](O)C1 ZINC001090005181 921307417 /nfs/dbraw/zinc/30/74/17/921307417.db2.gz BBXWDTLECAFVTL-QWHCGFSZSA-N 1 2 286.803 1.481 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2sc(Cl)nc2C)[C@H]1C ZINC001088594046 908184356 /nfs/dbraw/zinc/18/43/56/908184356.db2.gz QFVCOJKKTATMIX-ZJUUUORDSA-N 1 2 297.811 1.931 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2sc(Cl)nc2C)[C@H]1C ZINC001088594046 908184357 /nfs/dbraw/zinc/18/43/57/908184357.db2.gz QFVCOJKKTATMIX-ZJUUUORDSA-N 1 2 297.811 1.931 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2[nH]nc(CC)c2Cl)[C@H]1C ZINC001088629208 908705812 /nfs/dbraw/zinc/70/58/12/908705812.db2.gz KRRPEGRFZNTTMT-KOLCDFICSA-N 1 2 294.786 1.451 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc(CC)c2Cl)[C@H]1C ZINC001088629208 908705817 /nfs/dbraw/zinc/70/58/17/908705817.db2.gz KRRPEGRFZNTTMT-KOLCDFICSA-N 1 2 294.786 1.451 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sc(C)nc1C)C2 ZINC001098349087 909520850 /nfs/dbraw/zinc/52/08/50/909520850.db2.gz GIOPDSBJKDNGLN-UPJWGTAASA-N 1 2 289.404 1.728 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sc(C)nc1C)C2 ZINC001098349087 909520868 /nfs/dbraw/zinc/52/08/68/909520868.db2.gz GIOPDSBJKDNGLN-UPJWGTAASA-N 1 2 289.404 1.728 20 30 CDEDLO N#Cc1cccnc1NCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001094406545 910606286 /nfs/dbraw/zinc/60/62/86/910606286.db2.gz BKNLQVSWBDVJPL-UHFFFAOYSA-N 1 2 298.350 1.227 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(C)no1 ZINC001483312302 910852809 /nfs/dbraw/zinc/85/28/09/910852809.db2.gz VNSZJIHEGMVGCH-SNVBAGLBSA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(C)no1 ZINC001483312302 910852820 /nfs/dbraw/zinc/85/28/20/910852820.db2.gz VNSZJIHEGMVGCH-SNVBAGLBSA-N 1 2 271.748 1.786 20 30 CDEDLO CC(=O)OC1C[NH+]([C@@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172306124 911546863 /nfs/dbraw/zinc/54/68/63/911546863.db2.gz IOXLSFHWOKUZTJ-NSHDSACASA-N 1 2 258.321 1.737 20 30 CDEDLO N#Cc1ccccc1OCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001178000331 915088650 /nfs/dbraw/zinc/08/86/50/915088650.db2.gz JQBIRUPEBGSZSQ-UHFFFAOYSA-N 1 2 298.346 1.799 20 30 CDEDLO C=CCCC(=O)NCC[NH2+]Cc1nnc(C(F)F)s1 ZINC001124636776 936327402 /nfs/dbraw/zinc/32/74/02/936327402.db2.gz XHVYVEWUNPDGOC-UHFFFAOYSA-N 1 2 290.339 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C#CC[N@@H+](C)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139128829 936599697 /nfs/dbraw/zinc/59/96/97/936599697.db2.gz FVQCOWXDNGWACI-UHFFFAOYSA-N 1 2 257.289 1.872 20 30 CDEDLO C#CC[N@H+](C)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139128829 936599699 /nfs/dbraw/zinc/59/96/99/936599699.db2.gz FVQCOWXDNGWACI-UHFFFAOYSA-N 1 2 257.289 1.872 20 30 CDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CC(=O)OCC ZINC001272889127 919967813 /nfs/dbraw/zinc/96/78/13/919967813.db2.gz IQASTSFKRQSOGS-HNNXBMFYSA-N 1 2 280.368 1.193 20 30 CDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC(=O)OCC ZINC001272889127 919967821 /nfs/dbraw/zinc/96/78/21/919967821.db2.gz IQASTSFKRQSOGS-HNNXBMFYSA-N 1 2 280.368 1.193 20 30 CDEDLO C#CC[N@@H+](C)Cc1cc(Br)cnc1N ZINC001139452886 936622388 /nfs/dbraw/zinc/62/23/88/936622388.db2.gz FVKNUSHDZVGDMA-UHFFFAOYSA-N 1 2 254.131 1.491 20 30 CDEDLO C#CC[N@H+](C)Cc1cc(Br)cnc1N ZINC001139452886 936622389 /nfs/dbraw/zinc/62/23/89/936622389.db2.gz FVKNUSHDZVGDMA-UHFFFAOYSA-N 1 2 254.131 1.491 20 30 CDEDLO CC1(C)C(=O)NCC[N@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139703115 936638319 /nfs/dbraw/zinc/63/83/19/936638319.db2.gz JFLYICNNTCJZBD-UHFFFAOYSA-N 1 2 282.347 1.750 20 30 CDEDLO CC1(C)C(=O)NCC[N@@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139703115 936638320 /nfs/dbraw/zinc/63/83/20/936638320.db2.gz JFLYICNNTCJZBD-UHFFFAOYSA-N 1 2 282.347 1.750 20 30 CDEDLO N#C[C@H]1C[C@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001186976268 920276599 /nfs/dbraw/zinc/27/65/99/920276599.db2.gz AEPAZIACYOPLTB-GDBMZVCRSA-N 1 2 299.374 1.369 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccn(C(F)F)c2=O)CC1 ZINC001188522909 921049551 /nfs/dbraw/zinc/04/95/51/921049551.db2.gz ACMHXJFKPLLOST-UHFFFAOYSA-N 1 2 297.305 1.187 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccccc2-n2ccnc2)CC1 ZINC001190097577 921823792 /nfs/dbraw/zinc/82/37/92/921823792.db2.gz KXUUHNYNJGRPID-UHFFFAOYSA-N 1 2 296.374 1.816 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc(O)c3)CC2)cn1 ZINC001140545665 936723486 /nfs/dbraw/zinc/72/34/86/936723486.db2.gz JERMHBAIVWTXGH-UHFFFAOYSA-N 1 2 294.358 1.981 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2Cl)CC1 ZINC001190908419 922310937 /nfs/dbraw/zinc/31/09/37/922310937.db2.gz RGZQKXZFCPVQQH-UHFFFAOYSA-N 1 2 281.743 1.384 20 30 CDEDLO C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)Nc1ccc(C#N)nc1 ZINC001098344504 936749121 /nfs/dbraw/zinc/74/91/21/936749121.db2.gz NUWPQJCGHWKSTP-LLVKDONJSA-N 1 2 298.350 1.226 20 30 CDEDLO C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)Nc1ccc(C#N)nc1 ZINC001098344504 936749123 /nfs/dbraw/zinc/74/91/23/936749123.db2.gz NUWPQJCGHWKSTP-LLVKDONJSA-N 1 2 298.350 1.226 20 30 CDEDLO C#CCCCCCC(=O)NC[C@@]1(C)C[N@H+](CC=C)CCO1 ZINC001108121911 922551594 /nfs/dbraw/zinc/55/15/94/922551594.db2.gz IXWNAJJAAFOTDX-KRWDZBQOSA-N 1 2 292.423 1.963 20 30 CDEDLO C#CCCCCCC(=O)NC[C@@]1(C)C[N@@H+](CC=C)CCO1 ZINC001108121911 922551610 /nfs/dbraw/zinc/55/16/10/922551610.db2.gz IXWNAJJAAFOTDX-KRWDZBQOSA-N 1 2 292.423 1.963 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)s2)C[C@H]1O ZINC001191622559 922668597 /nfs/dbraw/zinc/66/85/97/922668597.db2.gz QVTFCUFNCOGMKZ-CHWSQXEVSA-N 1 2 295.408 1.079 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)s2)C[C@H]1O ZINC001191622559 922668603 /nfs/dbraw/zinc/66/86/03/922668603.db2.gz QVTFCUFNCOGMKZ-CHWSQXEVSA-N 1 2 295.408 1.079 20 30 CDEDLO COc1cc(C#N)ccc1C(=O)NCCc1[nH]cc(C)[nH+]1 ZINC001192268235 922983495 /nfs/dbraw/zinc/98/34/95/922983495.db2.gz GCVIOEVAWYUVCC-UHFFFAOYSA-N 1 2 284.319 1.571 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCC(F)F)[C@@H](O)C1 ZINC001099918173 936819116 /nfs/dbraw/zinc/81/91/16/936819116.db2.gz HRNIZAZUXVOYCM-ZJUUUORDSA-N 1 2 296.745 1.336 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCC(F)F)[C@@H](O)C1 ZINC001099918173 936819118 /nfs/dbraw/zinc/81/91/18/936819118.db2.gz HRNIZAZUXVOYCM-ZJUUUORDSA-N 1 2 296.745 1.336 20 30 CDEDLO N#Cc1cc(C(=O)N(C(N)=[NH2+])c2ccccc2F)ccc1O ZINC001193511658 923755855 /nfs/dbraw/zinc/75/58/55/923755855.db2.gz FQJHYUFGRMQVRX-UHFFFAOYSA-N 1 2 298.277 1.943 20 30 CDEDLO C=CCN1C(=O)COCC12C[NH+](Cc1[nH]c(C)cc1C)C2 ZINC001273184096 923904838 /nfs/dbraw/zinc/90/48/38/923904838.db2.gz FSJZOAQJWSCRIN-UHFFFAOYSA-N 1 2 289.379 1.231 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NC[C@]1(C)C[N@H+](CC#CC)CCO1 ZINC001108189933 924092722 /nfs/dbraw/zinc/09/27/22/924092722.db2.gz OIABGBJVBFEBRI-DLBZAZTESA-N 1 2 292.423 1.819 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NC[C@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001108189933 924092725 /nfs/dbraw/zinc/09/27/25/924092725.db2.gz OIABGBJVBFEBRI-DLBZAZTESA-N 1 2 292.423 1.819 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C3CC3)CC2)[C@@H](O)C1 ZINC001090347465 924116023 /nfs/dbraw/zinc/11/60/23/924116023.db2.gz RLGKRRJUBUFKPJ-STQMWFEESA-N 1 2 298.814 1.481 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C3CC3)CC2)[C@@H](O)C1 ZINC001090347465 924116037 /nfs/dbraw/zinc/11/60/37/924116037.db2.gz RLGKRRJUBUFKPJ-STQMWFEESA-N 1 2 298.814 1.481 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001079470200 924327538 /nfs/dbraw/zinc/32/75/38/924327538.db2.gz HPVUKRKUHJCQSE-ADEWGFFLSA-N 1 2 272.776 1.212 20 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/nfs/dbraw/zinc/14/65/32/925146532.db2.gz WNVOJGOTIJHLCK-MNOVXSKESA-N 1 2 295.408 1.227 20 30 CDEDLO CN(CCNc1ccc(C#N)nc1)C(=O)CCc1[nH]cc[nH+]1 ZINC001101567288 936989214 /nfs/dbraw/zinc/98/92/14/936989214.db2.gz FEGFSXALVOQLMV-UHFFFAOYSA-N 1 2 298.350 1.179 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C[C@@H]21 ZINC001084946346 925516244 /nfs/dbraw/zinc/51/62/44/925516244.db2.gz DBBTVSCCABJBJX-OUAUKWLOSA-N 1 2 294.292 1.996 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C[C@@H]21 ZINC001084946346 925516239 /nfs/dbraw/zinc/51/62/39/925516239.db2.gz DBBTVSCCABJBJX-OUAUKWLOSA-N 1 2 294.292 1.996 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)CSC(C)C ZINC001230824092 925547945 /nfs/dbraw/zinc/54/79/45/925547945.db2.gz SDUXBJXRKDWTQT-ZDUSSCGKSA-N 1 2 268.426 1.684 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)CSC(C)C ZINC001230824092 925547956 /nfs/dbraw/zinc/54/79/56/925547956.db2.gz SDUXBJXRKDWTQT-ZDUSSCGKSA-N 1 2 268.426 1.684 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc(OC)cc2C)CC1 ZINC001199707089 925817075 /nfs/dbraw/zinc/81/70/75/925817075.db2.gz LPOVOVCOCZFEMU-UHFFFAOYSA-N 1 2 275.352 1.342 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](CNC(=O)C(F)C(F)(F)F)[C@H](C)C1 ZINC001101986983 937035046 /nfs/dbraw/zinc/03/50/46/937035046.db2.gz SWZCPKWLDYRCRM-BBBLOLIVSA-N 1 2 282.281 1.757 20 30 CDEDLO C=CC[N@H+]1C[C@@H](CNC(=O)C(F)C(F)(F)F)[C@H](C)C1 ZINC001101986983 937035049 /nfs/dbraw/zinc/03/50/49/937035049.db2.gz SWZCPKWLDYRCRM-BBBLOLIVSA-N 1 2 282.281 1.757 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)[C@H](C)C1 ZINC001101986983 937035053 /nfs/dbraw/zinc/03/50/53/937035053.db2.gz SWZCPKWLDYRCRM-BBBLOLIVSA-N 1 2 282.281 1.757 20 30 CDEDLO C=CC[N@H+]1C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)[C@H](C)C1 ZINC001101986983 937035055 /nfs/dbraw/zinc/03/50/55/937035055.db2.gz SWZCPKWLDYRCRM-BBBLOLIVSA-N 1 2 282.281 1.757 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)sn1 ZINC001085566230 926160852 /nfs/dbraw/zinc/16/08/52/926160852.db2.gz 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926443508 /nfs/dbraw/zinc/44/35/08/926443508.db2.gz SGTRDWJNUIXNHG-ZDUSSCGKSA-N 1 2 274.339 1.914 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)ccc1F ZINC001085844611 926443511 /nfs/dbraw/zinc/44/35/11/926443511.db2.gz SGTRDWJNUIXNHG-ZDUSSCGKSA-N 1 2 274.339 1.914 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnoc1C(C)C ZINC001085906087 926494501 /nfs/dbraw/zinc/49/45/01/926494501.db2.gz ZNYPDAYLAYNNEO-CYBMUJFWSA-N 1 2 289.379 1.968 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnoc1C(C)C ZINC001085906087 926494506 /nfs/dbraw/zinc/49/45/06/926494506.db2.gz ZNYPDAYLAYNNEO-CYBMUJFWSA-N 1 2 289.379 1.968 20 30 CDEDLO COC(=O)C1(C)CCC([NH+]2CC(C)(C#N)C2)CC1 ZINC001168776275 927241617 /nfs/dbraw/zinc/24/16/17/927241617.db2.gz WWOIYNIFWOBNHI-UHFFFAOYSA-N 1 2 250.342 1.954 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2nccs2)C1 ZINC001108299112 927353635 /nfs/dbraw/zinc/35/36/35/927353635.db2.gz GHFJFYWDFWGFFA-CYBMUJFWSA-N 1 2 281.381 1.150 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2nccs2)C1 ZINC001108299112 927353642 /nfs/dbraw/zinc/35/36/42/927353642.db2.gz GHFJFYWDFWGFFA-CYBMUJFWSA-N 1 2 281.381 1.150 20 30 CDEDLO C[C@@H](CNc1ncccc1C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC001108337579 927405584 /nfs/dbraw/zinc/40/55/84/927405584.db2.gz GLIDZXXGSGHRTG-NSHDSACASA-N 1 2 298.350 1.226 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CNc1ccc(C#N)nc1 ZINC001108469008 928010363 /nfs/dbraw/zinc/01/03/63/928010363.db2.gz WRFRMAORKFLDPX-JTQLQIEISA-N 1 2 298.350 1.144 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](F)CC)C1 ZINC001150150581 937221368 /nfs/dbraw/zinc/22/13/68/937221368.db2.gz ZVBOBSKPASCYCB-VXGBXAGGSA-N 1 2 292.782 1.694 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](F)CC)C1 ZINC001150150581 937221371 /nfs/dbraw/zinc/22/13/71/937221371.db2.gz ZVBOBSKPASCYCB-VXGBXAGGSA-N 1 2 292.782 1.694 20 30 CDEDLO Cc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C)C#N)C3)o1 ZINC001109088526 928790179 /nfs/dbraw/zinc/79/01/79/928790179.db2.gz 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/nfs/dbraw/zinc/47/46/73/929474673.db2.gz LKZCDXYFWDXHRD-OIKLOGQESA-N 1 2 273.340 1.251 20 30 CDEDLO CCCCOCC[NH+]1CCN(C(=O)C#CC(C)C)CC1 ZINC001112829412 929476183 /nfs/dbraw/zinc/47/61/83/929476183.db2.gz DTJFWNQGHOWGKK-UHFFFAOYSA-N 1 2 280.412 1.607 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](OCC)C2CC2)CC1 ZINC001112861036 929509209 /nfs/dbraw/zinc/50/92/09/929509209.db2.gz KFCRTZSGSHRABX-HNNXBMFYSA-N 1 2 296.411 1.148 20 30 CDEDLO Cc1nc(NC[C@H](C2CC2)N(C)C(=O)[C@H](C)C#N)cc[nH+]1 ZINC001115492156 937383329 /nfs/dbraw/zinc/38/33/29/937383329.db2.gz UEPMGNRNTUYAFK-ZWNOBZJWSA-N 1 2 287.367 1.594 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C)CC1 ZINC000884108699 930445393 /nfs/dbraw/zinc/44/53/93/930445393.db2.gz KDBPPGHDUZBABC-NEPJUHHUSA-N 1 2 268.357 1.082 20 30 CDEDLO C=CCn1cnn(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1=S ZINC001116349374 937442962 /nfs/dbraw/zinc/44/29/62/937442962.db2.gz DSTPBVXVNCZIHJ-OLZOCXBDSA-N 1 2 294.424 1.916 20 30 CDEDLO C=CCn1cnn(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1=S ZINC001116349374 937442963 /nfs/dbraw/zinc/44/29/63/937442963.db2.gz DSTPBVXVNCZIHJ-OLZOCXBDSA-N 1 2 294.424 1.916 20 30 CDEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)CC)CC2)cc1 ZINC001144567074 931906577 /nfs/dbraw/zinc/90/65/77/931906577.db2.gz BZNVKOFAIPJACE-UHFFFAOYSA-N 1 2 256.349 1.722 20 30 CDEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001117802892 937555421 /nfs/dbraw/zinc/55/54/21/937555421.db2.gz LRPREWQLZZMNLQ-AWEZNQCLSA-N 1 2 271.364 1.615 20 30 CDEDLO Cc1nc(N[C@@H]2CC[C@H](CNC(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001091557879 932244622 /nfs/dbraw/zinc/24/46/22/932244622.db2.gz UZTQAIUMQHHCQR-KGYLQXTDSA-N 1 2 287.367 1.642 20 30 CDEDLO Cc1[nH]c(CNC(=O)c2ccc(F)c(C#N)c2)[nH+]c1C ZINC001412643922 932587968 /nfs/dbraw/zinc/58/79/68/932587968.db2.gz XJUPEVSHJFOLTO-UHFFFAOYSA-N 1 2 272.283 1.967 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc(OC)c2O)CC1 ZINC001148200280 932663837 /nfs/dbraw/zinc/66/38/37/932663837.db2.gz DYGPZXHFSMSVLT-UHFFFAOYSA-N 1 2 276.336 1.345 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2CN(C(=O)C(F)C(F)(F)F)C[C@]2(C)C1 ZINC001091691417 932665410 /nfs/dbraw/zinc/66/54/10/932665410.db2.gz SWWNFDVLPSYIHM-SCVCMEIPSA-N 1 2 292.276 1.300 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2CN(C(=O)C(F)C(F)(F)F)C[C@]2(C)C1 ZINC001091691417 932665416 /nfs/dbraw/zinc/66/54/16/932665416.db2.gz SWWNFDVLPSYIHM-SCVCMEIPSA-N 1 2 292.276 1.300 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](F)C(F)(F)F)C[C@]2(C)C1 ZINC001091691417 932665419 /nfs/dbraw/zinc/66/54/19/932665419.db2.gz SWWNFDVLPSYIHM-SCVCMEIPSA-N 1 2 292.276 1.300 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](F)C(F)(F)F)C[C@]2(C)C1 ZINC001091691417 932665423 /nfs/dbraw/zinc/66/54/23/932665423.db2.gz SWWNFDVLPSYIHM-SCVCMEIPSA-N 1 2 292.276 1.300 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(O)cc(O)c2)CC1 ZINC001148514633 932718534 /nfs/dbraw/zinc/71/85/34/932718534.db2.gz ZJTYMKZARJKBNB-UHFFFAOYSA-N 1 2 262.309 1.042 20 30 CDEDLO C#C[C@H]([NH2+][C@H](C)c1cn(C(C)C)nn1)[C@@H]1CCCO1 ZINC000926209114 932973920 /nfs/dbraw/zinc/97/39/20/932973920.db2.gz CMWMAWJQEOAEJU-DYEKYZERSA-N 1 2 262.357 1.690 20 30 CDEDLO C=CCCSCCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001118726998 937659528 /nfs/dbraw/zinc/65/95/28/937659528.db2.gz WQGIFOLGHLPEIS-LLVKDONJSA-N 1 2 253.371 1.870 20 30 CDEDLO C[C@@H](C#N)C(=O)NCCC[NH2+]Cc1noc(C2CCC2)n1 ZINC001155848197 937682022 /nfs/dbraw/zinc/68/20/22/937682022.db2.gz IARRSMGGANPVIH-JTQLQIEISA-N 1 2 291.355 1.093 20 30 CDEDLO C#CCO[C@H](C)C(=O)N(C)C[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001120093268 937780407 /nfs/dbraw/zinc/78/04/07/937780407.db2.gz JNICBWZRXNHDQN-NWDGAFQWSA-N 1 2 290.367 1.082 20 30 CDEDLO CCN(CCCNC(=O)C#CC1CC1)c1cc[nH+]c(C)n1 ZINC001095878841 934769462 /nfs/dbraw/zinc/76/94/62/934769462.db2.gz KIISADNDBIYJIE-UHFFFAOYSA-N 1 2 286.379 1.531 20 30 CDEDLO Cc1ncncc1C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001238170210 945115511 /nfs/dbraw/zinc/11/55/11/945115511.db2.gz ZJKRTBIBFYTKQK-GFCCVEGCSA-N 1 2 261.350 1.559 20 30 CDEDLO Cc1ncncc1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001238170210 945115516 /nfs/dbraw/zinc/11/55/16/945115516.db2.gz ZJKRTBIBFYTKQK-GFCCVEGCSA-N 1 2 261.350 1.559 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(OC)cc1F ZINC001038472451 935745990 /nfs/dbraw/zinc/74/59/90/935745990.db2.gz YNCBEMSLXMZJEP-LBPRGKRZSA-N 1 2 290.338 1.662 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OC)cc1F ZINC001038472451 935745992 /nfs/dbraw/zinc/74/59/92/935745992.db2.gz YNCBEMSLXMZJEP-LBPRGKRZSA-N 1 2 290.338 1.662 20 30 CDEDLO Cn1c[nH+]cc1C1CCN(C(=O)NCCC#N)CC1 ZINC001123645391 936193165 /nfs/dbraw/zinc/19/31/65/936193165.db2.gz RRQVDBXJRJOPFF-UHFFFAOYSA-N 1 2 261.329 1.223 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C(F)F)n2CC(=C)C)CC1 ZINC001122548614 937941186 /nfs/dbraw/zinc/94/11/86/937941186.db2.gz KVSSNCRBCBSXKN-UHFFFAOYSA-N 1 2 295.337 1.547 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(NC[C@@H]3CCC(=O)N3)c2c1 ZINC001156144092 938324037 /nfs/dbraw/zinc/32/40/37/938324037.db2.gz KLGUVIAJQRLKFR-LBPRGKRZSA-N 1 2 266.304 1.797 20 30 CDEDLO CC(C)(C)Oc1cccc(N2CC[NH2+]C[C@@H]2C#N)n1 ZINC001156319682 938351361 /nfs/dbraw/zinc/35/13/61/938351361.db2.gz AIZHLPBMHSCDFS-NSHDSACASA-N 1 2 260.341 1.561 20 30 CDEDLO CCOC(=O)c1cc2ccnc(N3CC[NH2+]C[C@@H]3C#N)c2[nH]1 ZINC001156319672 938351524 /nfs/dbraw/zinc/35/15/24/938351524.db2.gz AAPNNVHTLGXIKQ-NSHDSACASA-N 1 2 299.334 1.041 20 30 CDEDLO Cc1ccc(Cl)nc1C(F)(F)N1CC[NH2+]C[C@@H]1C#N ZINC001156327505 938352730 /nfs/dbraw/zinc/35/27/30/938352730.db2.gz BYRWTGMJOMANBL-VIFPVBQESA-N 1 2 286.713 1.890 20 30 CDEDLO Cc1nc(-n2cncn2)cc(NCc2ccccc2C#N)[nH+]1 ZINC001156791865 938418554 /nfs/dbraw/zinc/41/85/54/938418554.db2.gz YVBCTSCFWZORKL-UHFFFAOYSA-N 1 2 291.318 1.850 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1nccc(C#N)c1F ZINC001157462727 938496404 /nfs/dbraw/zinc/49/64/04/938496404.db2.gz XDEPGFCHKCJWCR-UHFFFAOYSA-N 1 2 259.288 1.815 20 30 CDEDLO COc1cc(N2CCN(c3ncccc3C#N)CC2)cc[nH+]1 ZINC001158097608 938582687 /nfs/dbraw/zinc/58/26/87/938582687.db2.gz CPQOSIZVIQPRAL-UHFFFAOYSA-N 1 2 295.346 1.683 20 30 CDEDLO Cc1[nH+]c(N2C[C@@H]3COC[C@H](C2)C3=O)ccc1CC#N ZINC001158705012 938652861 /nfs/dbraw/zinc/65/28/61/938652861.db2.gz JOGDJZZIKVKGLC-BETUJISGSA-N 1 2 271.320 1.108 20 30 CDEDLO CSc1ncc(C#N)c(NCCCn2cc[nH+]c2)n1 ZINC001161681369 938919754 /nfs/dbraw/zinc/91/97/54/938919754.db2.gz UONBIVAFYRJSEZ-UHFFFAOYSA-N 1 2 274.353 1.191 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNc2cc(C#N)c(Cl)cn2)C1 ZINC001162680996 939114396 /nfs/dbraw/zinc/11/43/96/939114396.db2.gz UGGLBLIQNUBBIU-JTQLQIEISA-N 1 2 266.732 1.349 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNc2cc(C#N)c(Cl)cn2)C1 ZINC001162680996 939114399 /nfs/dbraw/zinc/11/43/99/939114399.db2.gz UGGLBLIQNUBBIU-JTQLQIEISA-N 1 2 266.732 1.349 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNc2ncc3ccccc3c2C#N)C1 ZINC001162682978 939115869 /nfs/dbraw/zinc/11/58/69/939115869.db2.gz MCXBFGUWAFVKMJ-ZDUSSCGKSA-N 1 2 282.347 1.849 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNc2ncc3ccccc3c2C#N)C1 ZINC001162682978 939115872 /nfs/dbraw/zinc/11/58/72/939115872.db2.gz MCXBFGUWAFVKMJ-ZDUSSCGKSA-N 1 2 282.347 1.849 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(NC[C@H]3CNC(=O)O3)c2c1 ZINC001163016103 939177764 /nfs/dbraw/zinc/17/77/64/939177764.db2.gz MTMWZFUIBSYHNU-NSHDSACASA-N 1 2 268.276 1.627 20 30 CDEDLO CC(C)C[C@H](Nc1cc(N)cc(Cl)[nH+]1)C(=O)NO ZINC001163418114 939266364 /nfs/dbraw/zinc/26/63/64/939266364.db2.gz HKANTERLACBCNX-QMMMGPOBSA-N 1 2 272.736 1.649 20 30 CDEDLO N#CCc1ccc(NCCCc2c[nH][nH]c2=O)[nH+]c1 ZINC001164366625 939464850 /nfs/dbraw/zinc/46/48/50/939464850.db2.gz QEYYULUJPVEPHV-NSHDSACASA-N 1 2 257.297 1.072 20 30 CDEDLO N#Cc1cnc2cc[nH]c(N3CC[NH2+]CC(F)(F)C3)c1-2 ZINC001164497144 939479276 /nfs/dbraw/zinc/47/92/76/939479276.db2.gz FGCRDXSIFWJHQQ-UHFFFAOYSA-N 1 2 277.278 1.479 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1ccc(F)c(Cl)n1 ZINC001164642591 939501354 /nfs/dbraw/zinc/50/13/54/939501354.db2.gz XKFYLPMSPKOMPY-SSDOTTSWSA-N 1 2 290.676 1.721 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1cc(Cl)ncc1F ZINC001164651440 939501631 /nfs/dbraw/zinc/50/16/31/939501631.db2.gz HGYIXZZGOWZKPR-SSDOTTSWSA-N 1 2 290.676 1.721 20 30 CDEDLO CNc1ccc([NH+]=C(NO)c2ccccc2N)c(F)n1 ZINC001203362325 939683947 /nfs/dbraw/zinc/68/39/47/939683947.db2.gz URRYLSCSBWXJFF-UHFFFAOYSA-N 1 2 275.287 1.902 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)c1 ZINC001203757798 939702485 /nfs/dbraw/zinc/70/24/85/939702485.db2.gz UEMQXIHGXSZZMN-HRCADAONSA-N 1 2 272.348 1.530 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)c1 ZINC001203757798 939702487 /nfs/dbraw/zinc/70/24/87/939702487.db2.gz UEMQXIHGXSZZMN-HRCADAONSA-N 1 2 272.348 1.530 20 30 CDEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1nccn1C)CC2 ZINC001205120470 939824544 /nfs/dbraw/zinc/82/45/44/939824544.db2.gz DJHZSURTDMEDSR-UHFFFAOYSA-N 1 2 288.395 1.563 20 30 CDEDLO CC(C)[NH+]1CC(OCC(=O)c2ccc(C#N)cc2)C1 ZINC001206491633 940048648 /nfs/dbraw/zinc/04/86/48/940048648.db2.gz ITPCAGYNGXHPRE-UHFFFAOYSA-N 1 2 258.321 1.850 20 30 CDEDLO C[N@@H+]1CCO[C@H](COCC(=O)c2ccc(C#N)cc2)C1 ZINC001206498930 940049624 /nfs/dbraw/zinc/04/96/24/940049624.db2.gz XBSMDYMWQIOSNA-AWEZNQCLSA-N 1 2 274.320 1.088 20 30 CDEDLO C[N@H+]1CCO[C@H](COCC(=O)c2ccc(C#N)cc2)C1 ZINC001206498930 940049627 /nfs/dbraw/zinc/04/96/27/940049627.db2.gz XBSMDYMWQIOSNA-AWEZNQCLSA-N 1 2 274.320 1.088 20 30 CDEDLO C=CCN(CC[N@@H+]1C[C@@H](O)[C@@H](F)C1)C(=O)OC(C)(C)C ZINC001207199708 940165890 /nfs/dbraw/zinc/16/58/90/940165890.db2.gz QYZAQRWQOGOORS-NWDGAFQWSA-N 1 2 288.363 1.424 20 30 CDEDLO C=CCN(CC[N@H+]1C[C@@H](O)[C@@H](F)C1)C(=O)OC(C)(C)C ZINC001207199708 940165894 /nfs/dbraw/zinc/16/58/94/940165894.db2.gz QYZAQRWQOGOORS-NWDGAFQWSA-N 1 2 288.363 1.424 20 30 CDEDLO C=CCCCC[N@H+]1C[C@@](O)(C(F)(F)F)C[C@@H]1C(=O)OC ZINC001209201940 940446488 /nfs/dbraw/zinc/44/64/88/940446488.db2.gz ZSXPUEUFLCLBTN-ZYHUDNBSSA-N 1 2 295.301 1.883 20 30 CDEDLO C=CCCCC[N@@H+]1C[C@@](O)(C(F)(F)F)C[C@@H]1C(=O)OC ZINC001209201940 940446489 /nfs/dbraw/zinc/44/64/89/940446489.db2.gz ZSXPUEUFLCLBTN-ZYHUDNBSSA-N 1 2 295.301 1.883 20 30 CDEDLO CN1CCO[C@]2(CCC[N@H+](Cc3cc(C#N)ccn3)C2)C1 ZINC001276687070 940698917 /nfs/dbraw/zinc/69/89/17/940698917.db2.gz LJVVGMRQLXBDNP-MRXNPFEDSA-N 1 2 286.379 1.250 20 30 CDEDLO CN1CCO[C@]2(CCC[N@@H+](Cc3cc(C#N)ccn3)C2)C1 ZINC001276687070 940698919 /nfs/dbraw/zinc/69/89/19/940698919.db2.gz LJVVGMRQLXBDNP-MRXNPFEDSA-N 1 2 286.379 1.250 20 30 CDEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2OC)CCC1 ZINC001213397760 940772419 /nfs/dbraw/zinc/77/24/19/940772419.db2.gz XKTOPQVLEYSQPY-CHWSQXEVSA-N 1 2 284.375 1.518 20 30 CDEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2OC)CCC1 ZINC001213397760 940772423 /nfs/dbraw/zinc/77/24/23/940772423.db2.gz XKTOPQVLEYSQPY-CHWSQXEVSA-N 1 2 284.375 1.518 20 30 CDEDLO Cc1cc(C)c(Nc2nc(C#N)c(C#N)nc2N)c[nH+]1 ZINC001213507725 940776746 /nfs/dbraw/zinc/77/67/46/940776746.db2.gz DCDMLAWRHMESPH-UHFFFAOYSA-N 1 2 265.280 1.558 20 30 CDEDLO C#Cc1cc(Nc2cccc(C(=O)NCOC)c2)cc[nH+]1 ZINC001216461362 940940296 /nfs/dbraw/zinc/94/02/96/940940296.db2.gz VDDFURZECCSQGQ-UHFFFAOYSA-N 1 2 281.315 1.562 20 30 CDEDLO CC(=O)N1CC[N@H+](C[C@@H](O)c2cccc(C#N)c2)[C@@H](C)C1 ZINC001473221852 970770277 /nfs/dbraw/zinc/77/02/77/970770277.db2.gz DHVKASRDIIVTEL-BLLLJJGKSA-N 1 2 287.363 1.144 20 30 CDEDLO CC(=O)N1CC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)[C@@H](C)C1 ZINC001473221852 970770281 /nfs/dbraw/zinc/77/02/81/970770281.db2.gz DHVKASRDIIVTEL-BLLLJJGKSA-N 1 2 287.363 1.144 20 30 CDEDLO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1nc(Cl)cc(=O)[nH]1 ZINC001218451591 941219533 /nfs/dbraw/zinc/21/95/33/941219533.db2.gz GHGIHGNMWPSITM-RKDXNWHRSA-N 1 2 269.732 1.911 20 30 CDEDLO Cc1noc(NC(=O)c2cnc(C[NH3+])s2)c1C#N ZINC001218502226 941225003 /nfs/dbraw/zinc/22/50/03/941225003.db2.gz AGIUWNSOXKAJLR-UHFFFAOYSA-N 1 2 263.282 1.022 20 30 CDEDLO N#Cc1ccc(NC(=O)c2cnc(C[NH3+])s2)c(O)c1 ZINC001218992620 941298559 /nfs/dbraw/zinc/29/85/59/941298559.db2.gz PKMOLEVKUFSKRF-UHFFFAOYSA-N 1 2 274.305 1.431 20 30 CDEDLO C=CCn1cc(C[NH+]2CC3(C[C@@H]3C(=O)N3CC=CC3)C2)cn1 ZINC001277035654 941847513 /nfs/dbraw/zinc/84/75/13/941847513.db2.gz PLWHTVZMNCABHU-OAHLLOKOSA-N 1 2 298.390 1.289 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3n[nH]c4c3CCCC4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227102135 942132418 /nfs/dbraw/zinc/13/24/18/942132418.db2.gz CEUDGQGZIRGXSC-UBYSCORNSA-N 1 2 275.352 1.280 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3n[nH]c4c3CCCC4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227102135 942132421 /nfs/dbraw/zinc/13/24/21/942132421.db2.gz CEUDGQGZIRGXSC-UBYSCORNSA-N 1 2 275.352 1.280 20 30 CDEDLO Cc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c([N+](=O)[O-])n1 ZINC001227221881 942152640 /nfs/dbraw/zinc/15/26/40/942152640.db2.gz GNKKPSAJPLDBPY-NJFCNUMCSA-N 1 2 291.307 1.289 20 30 CDEDLO Cc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c([N+](=O)[O-])n1 ZINC001227221881 942152641 /nfs/dbraw/zinc/15/26/41/942152641.db2.gz GNKKPSAJPLDBPY-NJFCNUMCSA-N 1 2 291.307 1.289 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(O)ccc3C#N)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228006731 942256029 /nfs/dbraw/zinc/25/60/29/942256029.db2.gz HCWXJNOKLPOENY-KYFMZXIUSA-N 1 2 272.304 1.255 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(O)ccc3C#N)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228006731 942256030 /nfs/dbraw/zinc/25/60/30/942256030.db2.gz HCWXJNOKLPOENY-KYFMZXIUSA-N 1 2 272.304 1.255 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Oc1ccc(C#N)c(C#N)c1 ZINC001228261379 942285998 /nfs/dbraw/zinc/28/59/98/942285998.db2.gz XMRQHXWFVJEOMF-LBPRGKRZSA-N 1 2 271.320 1.529 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(CCF)CC1 ZINC001316599958 942409956 /nfs/dbraw/zinc/40/99/56/942409956.db2.gz GTUAWQPYGUTFCW-LBPRGKRZSA-N 1 2 252.333 1.292 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(CCF)CC1 ZINC001316599958 942409959 /nfs/dbraw/zinc/40/99/59/942409959.db2.gz GTUAWQPYGUTFCW-LBPRGKRZSA-N 1 2 252.333 1.292 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N2CC(CC#N)C2)[nH]n1 ZINC001277350757 942410468 /nfs/dbraw/zinc/41/04/68/942410468.db2.gz PFTUOXAQQUYGJU-CJNGLKHVSA-N 1 2 299.378 1.055 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)N2CC(CC#N)C2)[nH]n1 ZINC001277350757 942410469 /nfs/dbraw/zinc/41/04/69/942410469.db2.gz PFTUOXAQQUYGJU-CJNGLKHVSA-N 1 2 299.378 1.055 20 30 CDEDLO N#CC1(NC(=O)[C@]23C[C@H]2CC[N@@H+]3Cc2ccco2)CCC1 ZINC001277400047 942493608 /nfs/dbraw/zinc/49/36/08/942493608.db2.gz ZJNWGTVHPKFPHS-WBMJQRKESA-N 1 2 285.347 1.806 20 30 CDEDLO N#CC1(NC(=O)[C@]23C[C@H]2CC[N@H+]3Cc2ccco2)CCC1 ZINC001277400047 942493614 /nfs/dbraw/zinc/49/36/14/942493614.db2.gz ZJNWGTVHPKFPHS-WBMJQRKESA-N 1 2 285.347 1.806 20 30 CDEDLO CCOCCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230533231 942632610 /nfs/dbraw/zinc/63/26/10/942632610.db2.gz IXQXEZVXTDUVKC-HNNXBMFYSA-N 1 2 293.411 1.640 20 30 CDEDLO CCOCCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001230533231 942632612 /nfs/dbraw/zinc/63/26/12/942632612.db2.gz IXQXEZVXTDUVKC-HNNXBMFYSA-N 1 2 293.411 1.640 20 30 CDEDLO CC[C@H](F)C[N@@H+]1CC[C@H]1CN(C)C(=O)CSCC#N ZINC001230815353 942707334 /nfs/dbraw/zinc/70/73/34/942707334.db2.gz NMGFYXFRWBBIPA-RYUDHWBXSA-N 1 2 287.404 1.524 20 30 CDEDLO CC[C@H](F)C[N@H+]1CC[C@H]1CN(C)C(=O)CSCC#N ZINC001230815353 942707337 /nfs/dbraw/zinc/70/73/37/942707337.db2.gz NMGFYXFRWBBIPA-RYUDHWBXSA-N 1 2 287.404 1.524 20 30 CDEDLO N#CCC1CN(C(=O)[C@]23C[C@H]2CC[N@@H+]3Cc2cnco2)C1 ZINC001277554085 942987175 /nfs/dbraw/zinc/98/71/75/942987175.db2.gz SZCHACVOKMDTRE-DOMZBBRYSA-N 1 2 286.335 1.011 20 30 CDEDLO N#CCC1CN(C(=O)[C@]23C[C@H]2CC[N@H+]3Cc2cnco2)C1 ZINC001277554085 942987181 /nfs/dbraw/zinc/98/71/81/942987181.db2.gz SZCHACVOKMDTRE-DOMZBBRYSA-N 1 2 286.335 1.011 20 30 CDEDLO Cc1cccc(N2CCN(Cc3cc(C#N)ccn3)CC2)[nH+]1 ZINC001232474350 943289388 /nfs/dbraw/zinc/28/93/88/943289388.db2.gz BAKNCCGISSSSMB-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232673827 943355215 /nfs/dbraw/zinc/35/52/15/943355215.db2.gz OBSMNVAOQSGQBW-GFCCVEGCSA-N 1 2 274.320 1.649 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232673827 943355219 /nfs/dbraw/zinc/35/52/19/943355219.db2.gz OBSMNVAOQSGQBW-GFCCVEGCSA-N 1 2 274.320 1.649 20 30 CDEDLO C[NH+](C)[C@@H]1CCCN(Cc2cc(C#N)ccc2O)C1 ZINC001232680151 943363070 /nfs/dbraw/zinc/36/30/70/943363070.db2.gz YNGJJTGFXPZOCQ-CQSZACIVSA-N 1 2 259.353 1.790 20 30 CDEDLO Cc1ccc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c(C#N)c1 ZINC001232967605 943448094 /nfs/dbraw/zinc/44/80/94/943448094.db2.gz RSFDVSXHURPQCQ-INIZCTEOSA-N 1 2 285.347 1.941 20 30 CDEDLO Cc1ccc(C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)c(C#N)c1 ZINC001232967605 943448096 /nfs/dbraw/zinc/44/80/96/943448096.db2.gz RSFDVSXHURPQCQ-INIZCTEOSA-N 1 2 285.347 1.941 20 30 CDEDLO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1C#N ZINC001232969715 943449443 /nfs/dbraw/zinc/44/94/43/943449443.db2.gz ULRMZMIEOVAKQB-HNNXBMFYSA-N 1 2 271.364 1.967 20 30 CDEDLO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C)cc1C#N ZINC001232969715 943449446 /nfs/dbraw/zinc/44/94/46/943449446.db2.gz ULRMZMIEOVAKQB-HNNXBMFYSA-N 1 2 271.364 1.967 20 30 CDEDLO CCN(C(C)=O)C1CC[NH+](Cc2[nH]ccc2C#N)CC1 ZINC001233048768 943476175 /nfs/dbraw/zinc/47/61/75/943476175.db2.gz MKBMHKQAXAPRMA-UHFFFAOYSA-N 1 2 274.368 1.719 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c(O)c1 ZINC001233384442 943571332 /nfs/dbraw/zinc/57/13/32/943571332.db2.gz WELKRQMDVNOMSR-OAHLLOKOSA-N 1 2 274.320 1.255 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)c(O)c1 ZINC001233384442 943571335 /nfs/dbraw/zinc/57/13/35/943571335.db2.gz WELKRQMDVNOMSR-OAHLLOKOSA-N 1 2 274.320 1.255 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC(C)(C)C1 ZINC001234030190 943721221 /nfs/dbraw/zinc/72/12/21/943721221.db2.gz OCFZNCBANDZCER-OAHLLOKOSA-N 1 2 292.423 1.605 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC(C)(C)C1 ZINC001234030190 943721224 /nfs/dbraw/zinc/72/12/24/943721224.db2.gz OCFZNCBANDZCER-OAHLLOKOSA-N 1 2 292.423 1.605 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001234538226 943883493 /nfs/dbraw/zinc/88/34/93/943883493.db2.gz WBGPEPNIEYXBDL-CYBMUJFWSA-N 1 2 295.427 1.210 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001234538226 943883499 /nfs/dbraw/zinc/88/34/99/943883499.db2.gz WBGPEPNIEYXBDL-CYBMUJFWSA-N 1 2 295.427 1.210 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(F)CCOCC1 ZINC001235123188 944064096 /nfs/dbraw/zinc/06/40/96/944064096.db2.gz LJPWYSNPEUMVGM-CYBMUJFWSA-N 1 2 282.359 1.061 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(F)CCOCC1 ZINC001235123188 944064102 /nfs/dbraw/zinc/06/41/02/944064102.db2.gz LJPWYSNPEUMVGM-CYBMUJFWSA-N 1 2 282.359 1.061 20 30 CDEDLO N#CCC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)NCC(F)(F)F ZINC001277941118 944138727 /nfs/dbraw/zinc/13/87/27/944138727.db2.gz KBLLMNJZLRAMBL-UWVGGRQHSA-N 1 2 290.289 1.321 20 30 CDEDLO N#CCC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)NCC(F)(F)F ZINC001277941118 944138729 /nfs/dbraw/zinc/13/87/29/944138729.db2.gz KBLLMNJZLRAMBL-UWVGGRQHSA-N 1 2 290.289 1.321 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1nc(C)no1 ZINC001235435981 944154094 /nfs/dbraw/zinc/15/40/94/944154094.db2.gz CIAYKWFRIGXUNU-UHFFFAOYSA-N 1 2 266.345 1.282 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1nc(C)no1 ZINC001235435981 944154096 /nfs/dbraw/zinc/15/40/96/944154096.db2.gz CIAYKWFRIGXUNU-UHFFFAOYSA-N 1 2 266.345 1.282 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1nonc1C ZINC001235436224 944156065 /nfs/dbraw/zinc/15/60/65/944156065.db2.gz IKLJPDOVHBGMQP-UHFFFAOYSA-N 1 2 266.345 1.282 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1nonc1C ZINC001235436224 944156068 /nfs/dbraw/zinc/15/60/68/944156068.db2.gz IKLJPDOVHBGMQP-UHFFFAOYSA-N 1 2 266.345 1.282 20 30 CDEDLO COC(=O)c1ccc(-c2ccc(N)[nH+]c2)cc1C#N ZINC001236311604 944463463 /nfs/dbraw/zinc/46/34/63/944463463.db2.gz CLPRYHFGWKATNE-UHFFFAOYSA-N 1 2 253.261 1.989 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccnc3c(OC)cccc23)CC1 ZINC001237112598 944657550 /nfs/dbraw/zinc/65/75/50/944657550.db2.gz VRGBGUNJAJDXEX-UHFFFAOYSA-N 1 2 295.386 1.994 20 30 CDEDLO C=CC[NH+]1CCN(Cc2nc(C(=O)OCC)cs2)CC1 ZINC001237348572 944730229 /nfs/dbraw/zinc/73/02/29/944730229.db2.gz UODHQMYQSYFUQJ-UHFFFAOYSA-N 1 2 295.408 1.623 20 30 CDEDLO C=CCC[C@@H](C)n1cnc(C[C@H]([NH3+])C(=O)OCC)c1 ZINC001258725170 945392428 /nfs/dbraw/zinc/39/24/28/945392428.db2.gz GTFXVZAADJFFIF-YPMHNXCESA-N 1 2 265.357 1.843 20 30 CDEDLO C=CCS(=O)(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001259929262 945714060 /nfs/dbraw/zinc/71/40/60/945714060.db2.gz WNGDVZBWKXHRBE-UHFFFAOYSA-N 1 2 291.376 1.820 20 30 CDEDLO Cc1[nH+]c[nH]c1CN1CC[C@H]2C[C@]21C(=O)NC1(C#N)CCC1 ZINC001278353595 946899544 /nfs/dbraw/zinc/89/95/44/946899544.db2.gz LCAGNSPYWIQNRK-BLLLJJGKSA-N 1 2 299.378 1.245 20 30 CDEDLO CC(C)(C)OC(=O)N1CCC[C@@H](N2CC[NH2+]C[C@@H]2C#N)C1 ZINC001255906672 948127077 /nfs/dbraw/zinc/12/70/77/948127077.db2.gz JRXFFGCWKMGDRZ-OLZOCXBDSA-N 1 2 294.399 1.183 20 30 CDEDLO CCOC(=O)C1(C(=O)OCC)CCC([N@H+](C)CC#N)CC1 ZINC001257005576 948479089 /nfs/dbraw/zinc/47/90/89/948479089.db2.gz NTNVJMGBNXNTJJ-UHFFFAOYSA-N 1 2 296.367 1.497 20 30 CDEDLO CCOC(=O)C1(C(=O)OCC)CCC([N@@H+](C)CC#N)CC1 ZINC001257005576 948479094 /nfs/dbraw/zinc/47/90/94/948479094.db2.gz NTNVJMGBNXNTJJ-UHFFFAOYSA-N 1 2 296.367 1.497 20 30 CDEDLO C=CCCNC(=S)N(CC)CC[NH+]1CCOCC1 ZINC001247627084 948688109 /nfs/dbraw/zinc/68/81/09/948688109.db2.gz BTPHJFZIPDYOTA-UHFFFAOYSA-N 1 2 271.430 1.091 20 30 CDEDLO Cc1[nH+]cc(NS(=O)(=O)c2ccc(C#N)cc2)n1C ZINC001258053619 948694476 /nfs/dbraw/zinc/69/44/76/948694476.db2.gz HREXDLRUYWSQBD-UHFFFAOYSA-N 1 2 276.321 1.401 20 30 CDEDLO C=CC[C@@H]([NH2+][C@H](C)CCC(=O)OCC)C(=O)OC ZINC001258479776 948872538 /nfs/dbraw/zinc/87/25/38/948872538.db2.gz LSIICKFWJJQRND-GHMZBOCLSA-N 1 2 257.330 1.426 20 30 CDEDLO N#Cc1cccc(-c2noc([C@H]3CSCC[NH2+]3)n2)c1 ZINC001248601393 949082186 /nfs/dbraw/zinc/08/21/86/949082186.db2.gz MCLINOZVZUUVKI-LLVKDONJSA-N 1 2 272.333 1.986 20 30 CDEDLO C#CCOC[C@@H](O)CNc1ccc(N2CCCC2)[nH+]c1 ZINC001251832819 950857126 /nfs/dbraw/zinc/85/71/26/950857126.db2.gz SAFMNNWHEPQEOU-AWEZNQCLSA-N 1 2 275.352 1.104 20 30 CDEDLO C=CCOC[C@@H](O)CNc1cc[nH+]c(OCCOC)c1 ZINC001252460835 951303763 /nfs/dbraw/zinc/30/37/63/951303763.db2.gz HQLCDWGARDPKSM-ZDUSSCGKSA-N 1 2 282.340 1.082 20 30 CDEDLO C=CCOC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC001252464745 951306169 /nfs/dbraw/zinc/30/61/69/951306169.db2.gz BOTSZMFPGRDROS-ZFWWWQNUSA-N 1 2 278.352 1.018 20 30 CDEDLO C=CCOC[C@@H](O)C[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC001252464745 951306180 /nfs/dbraw/zinc/30/61/80/951306180.db2.gz BOTSZMFPGRDROS-ZFWWWQNUSA-N 1 2 278.352 1.018 20 30 CDEDLO C=CCOC[C@H](O)C[NH2+]Cc1n[nH]c2ccccc21 ZINC001252483970 951348383 /nfs/dbraw/zinc/34/83/83/951348383.db2.gz YFEDWEOPKLXHJI-LLVKDONJSA-N 1 2 261.325 1.216 20 30 CDEDLO C=CCC[C@@H](O)CNc1ccc(N2CCC(O)CC2)[nH+]c1 ZINC001252588212 951481748 /nfs/dbraw/zinc/48/17/48/951481748.db2.gz KSDRDVPCVUTRCG-OAHLLOKOSA-N 1 2 291.395 1.782 20 30 CDEDLO C=C[C@@H](O)C[N@@H+](CC(=O)OCC)Cc1ccccc1 ZINC001253567334 951957604 /nfs/dbraw/zinc/95/76/04/951957604.db2.gz MVVMFYJCBPGLGJ-CQSZACIVSA-N 1 2 263.337 1.599 20 30 CDEDLO C=C[C@@H](O)C[N@H+](CC(=O)OCC)Cc1ccccc1 ZINC001253567334 951957611 /nfs/dbraw/zinc/95/76/11/951957611.db2.gz MVVMFYJCBPGLGJ-CQSZACIVSA-N 1 2 263.337 1.599 20 30 CDEDLO C=C[C@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H](F)C1 ZINC001253574535 951960614 /nfs/dbraw/zinc/96/06/14/951960614.db2.gz ZQPVDSPVPBEYAK-RYUDHWBXSA-N 1 2 288.363 1.424 20 30 CDEDLO C=C[C@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H](F)C1 ZINC001253574535 951960621 /nfs/dbraw/zinc/96/06/21/951960621.db2.gz ZQPVDSPVPBEYAK-RYUDHWBXSA-N 1 2 288.363 1.424 20 30 CDEDLO C=C[C@H](COC)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC001325638907 954001872 /nfs/dbraw/zinc/00/18/72/954001872.db2.gz NEHNAIHXWNOCQM-OAHLLOKOSA-N 1 2 285.347 1.862 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccccc1CC#N ZINC001294284595 954487305 /nfs/dbraw/zinc/48/73/05/954487305.db2.gz YPYFHFMEPKNWID-UHFFFAOYSA-N 1 2 254.293 1.714 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1ccc(C(N)=O)cc1 ZINC001364442183 954617509 /nfs/dbraw/zinc/61/75/09/954617509.db2.gz DRGYZFOEVGLYMG-VHSXEESVSA-N 1 2 274.324 1.004 20 30 CDEDLO Cc1cc(C[NH2+][C@@H](CO)c2ncc[nH]2)ccc1C#N ZINC001308955374 956602861 /nfs/dbraw/zinc/60/28/61/956602861.db2.gz QRQYZKRBKKUGMH-ZDUSSCGKSA-N 1 2 256.309 1.413 20 30 CDEDLO C#CC[N@H+](CC1CC1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC001331329333 956971777 /nfs/dbraw/zinc/97/17/77/956971777.db2.gz CGOIQFJDMOUVKL-OAHLLOKOSA-N 1 2 267.332 1.430 20 30 CDEDLO C#CC[N@@H+](CC1CC1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC001331329333 956971787 /nfs/dbraw/zinc/97/17/87/956971787.db2.gz CGOIQFJDMOUVKL-OAHLLOKOSA-N 1 2 267.332 1.430 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C)CC)C1 ZINC001318338714 958044626 /nfs/dbraw/zinc/04/46/26/958044626.db2.gz WNAJPOOVXMBONE-UONOGXRCSA-N 1 2 295.427 1.448 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)N[C@@H](C)CC)C1 ZINC001318338714 958044641 /nfs/dbraw/zinc/04/46/41/958044641.db2.gz WNAJPOOVXMBONE-UONOGXRCSA-N 1 2 295.427 1.448 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1cn(C)nc1C ZINC001367515851 958090612 /nfs/dbraw/zinc/09/06/12/958090612.db2.gz MJGNTYXQDDNLFX-UHFFFAOYSA-N 1 2 298.818 1.414 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1cn(C)nc1C ZINC001367515851 958090625 /nfs/dbraw/zinc/09/06/25/958090625.db2.gz MJGNTYXQDDNLFX-UHFFFAOYSA-N 1 2 298.818 1.414 20 30 CDEDLO CC(C)COC[C@@H]([NH2+]C[C@H](O)CC#N)c1ccco1 ZINC001333315130 958241239 /nfs/dbraw/zinc/24/12/39/958241239.db2.gz VZYUWVWKNSOORA-CHWSQXEVSA-N 1 2 266.341 1.857 20 30 CDEDLO C=C[C@@H](COC)NC(=O)[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC001320316957 959077791 /nfs/dbraw/zinc/07/77/91/959077791.db2.gz KLQBKTXSVNWFHN-GJZGRUSLSA-N 1 2 298.427 1.441 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(COCC)CC2)C1 ZINC001369979815 959945777 /nfs/dbraw/zinc/94/57/77/959945777.db2.gz JJDLTDRCQCTBQL-GFCCVEGCSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(COCC)CC2)C1 ZINC001369979815 959945782 /nfs/dbraw/zinc/94/57/82/959945782.db2.gz JJDLTDRCQCTBQL-GFCCVEGCSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCc2ccccn2)C1 ZINC001370001358 959950205 /nfs/dbraw/zinc/95/02/05/959950205.db2.gz CGVZNQHIDCVEHD-CQSZACIVSA-N 1 2 293.798 1.957 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCc2ccccn2)C1 ZINC001370001358 959950214 /nfs/dbraw/zinc/95/02/14/959950214.db2.gz CGVZNQHIDCVEHD-CQSZACIVSA-N 1 2 293.798 1.957 20 30 CDEDLO C=CC[C@@H]([NH2+]C1CCN(CC(F)F)CC1)C(=O)OCC ZINC001321969319 960037939 /nfs/dbraw/zinc/03/79/39/960037939.db2.gz YXURJXLEMOZFIC-GFCCVEGCSA-N 1 2 290.354 1.813 20 30 CDEDLO Cc1nc([C@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H](C)C#N)C2)no1 ZINC001418623357 960822069 /nfs/dbraw/zinc/82/20/69/960822069.db2.gz WYCRQWVWCLGBQE-FSZOTQKASA-N 1 2 291.355 1.083 20 30 CDEDLO CS[C@@H](C)C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001420201841 962570922 /nfs/dbraw/zinc/57/09/22/962570922.db2.gz SYXJFDXHIQEGLM-LBPRGKRZSA-N 1 2 291.420 1.858 20 30 CDEDLO CS[C@@H](C)C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001420201841 962570927 /nfs/dbraw/zinc/57/09/27/962570927.db2.gz SYXJFDXHIQEGLM-LBPRGKRZSA-N 1 2 291.420 1.858 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cn(CC)nn1 ZINC001420441573 962904154 /nfs/dbraw/zinc/90/41/54/962904154.db2.gz TWRZBOIQPGVPME-UHFFFAOYSA-N 1 2 285.779 1.102 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cn(CC)nn1 ZINC001420441573 962904150 /nfs/dbraw/zinc/90/41/50/962904150.db2.gz TWRZBOIQPGVPME-UHFFFAOYSA-N 1 2 285.779 1.102 20 30 CDEDLO C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)C[C@H](C)C#N ZINC001340492154 962964896 /nfs/dbraw/zinc/96/48/96/962964896.db2.gz PTHBTHDFOQKFJO-OLZOCXBDSA-N 1 2 288.399 1.827 20 30 CDEDLO C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)C[C@H](C)C#N ZINC001340492154 962964904 /nfs/dbraw/zinc/96/49/04/962964904.db2.gz PTHBTHDFOQKFJO-OLZOCXBDSA-N 1 2 288.399 1.827 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccnc(OC)n1 ZINC001437615755 963067751 /nfs/dbraw/zinc/06/77/51/963067751.db2.gz VRKYPPOBMCRIFY-UHFFFAOYSA-N 1 2 298.774 1.289 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccnc(OC)n1 ZINC001437615755 963067759 /nfs/dbraw/zinc/06/77/59/963067759.db2.gz VRKYPPOBMCRIFY-UHFFFAOYSA-N 1 2 298.774 1.289 20 30 CDEDLO Cc1cnc([C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H](C)C#N)o1 ZINC001438865767 963578389 /nfs/dbraw/zinc/57/83/89/963578389.db2.gz OJTYYWGDBJUHLZ-ZYHUDNBSSA-N 1 2 278.356 1.594 20 30 CDEDLO Cc1cnc([C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H](C)C#N)o1 ZINC001438865767 963578392 /nfs/dbraw/zinc/57/83/92/963578392.db2.gz OJTYYWGDBJUHLZ-ZYHUDNBSSA-N 1 2 278.356 1.594 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2ccn(C)n2)C1 ZINC001441161609 964398196 /nfs/dbraw/zinc/39/81/96/964398196.db2.gz BNTHBCYRGADCGY-LLVKDONJSA-N 1 2 296.802 1.152 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)Nc1ccc(F)cc1OCC#N ZINC001446045287 966428641 /nfs/dbraw/zinc/42/86/41/966428641.db2.gz HAVXJONHIWHKKJ-UHFFFAOYSA-N 1 2 288.282 1.643 20 30 CDEDLO C#CCN(CC1CC1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001350956324 966811068 /nfs/dbraw/zinc/81/10/68/966811068.db2.gz RYEKDOYULMFIGA-ZDUSSCGKSA-N 1 2 257.337 1.317 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cn(C)nc1CC ZINC001448042463 966972936 /nfs/dbraw/zinc/97/29/36/966972936.db2.gz ZCXWLKYQSYKDSY-LLVKDONJSA-N 1 2 298.818 1.785 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cn(C)nc1CC ZINC001448042463 966972939 /nfs/dbraw/zinc/97/29/39/966972939.db2.gz ZCXWLKYQSYKDSY-LLVKDONJSA-N 1 2 298.818 1.785 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001100257034 967784236 /nfs/dbraw/zinc/78/42/36/967784236.db2.gz JLTPDYFWRFSLTM-UHFFFAOYSA-N 1 2 276.384 1.940 20 30 CDEDLO C=CCC1(O)CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001353864397 968289194 /nfs/dbraw/zinc/28/91/94/968289194.db2.gz CTFPCRBLQXLJBT-UHFFFAOYSA-N 1 2 277.368 1.282 20 30 CDEDLO N#Cc1csc(C(=O)N2CCc3cc[nH+]c(N)c3C2)c1 ZINC001454534752 968498551 /nfs/dbraw/zinc/49/85/51/968498551.db2.gz WJYBGXZFCOVSIE-UHFFFAOYSA-N 1 2 284.344 1.795 20 30 CDEDLO C[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccccn1 ZINC001460161009 969484100 /nfs/dbraw/zinc/48/41/00/969484100.db2.gz ZOGBMSACMBGIMQ-UHFFFAOYSA-N 1 2 294.358 1.701 20 30 CDEDLO C[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccccn1 ZINC001460161009 969484104 /nfs/dbraw/zinc/48/41/04/969484104.db2.gz ZOGBMSACMBGIMQ-UHFFFAOYSA-N 1 2 294.358 1.701 20 30 CDEDLO N#Cc1cc(Cl)nc(N2CCn3c[nH+]cc3C2)c1 ZINC001515770300 969916478 /nfs/dbraw/zinc/91/64/78/969916478.db2.gz YCJHXYQFXBNOKO-UHFFFAOYSA-N 1 2 259.700 1.823 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001371924969 972693142 /nfs/dbraw/zinc/69/31/42/972693142.db2.gz FLXFVICDRWRLGR-NSHDSACASA-N 1 2 288.326 1.405 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001371924969 972693150 /nfs/dbraw/zinc/69/31/50/972693150.db2.gz FLXFVICDRWRLGR-NSHDSACASA-N 1 2 288.326 1.405 20 30 CDEDLO C[N@H+](CCNC(=O)c1cncnc1)Cc1ccccc1C#N ZINC001371954073 972714327 /nfs/dbraw/zinc/71/43/27/972714327.db2.gz VGAVURGUCVASFI-UHFFFAOYSA-N 1 2 295.346 1.210 20 30 CDEDLO C[N@@H+](CCNC(=O)c1cncnc1)Cc1ccccc1C#N ZINC001371954073 972714335 /nfs/dbraw/zinc/71/43/35/972714335.db2.gz VGAVURGUCVASFI-UHFFFAOYSA-N 1 2 295.346 1.210 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ncc[nH]1 ZINC001418156581 973611943 /nfs/dbraw/zinc/61/19/43/973611943.db2.gz KLBVFVGQAQYUDC-GFCCVEGCSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)Cc1ncc[nH]1 ZINC001418156581 973611951 /nfs/dbraw/zinc/61/19/51/973611951.db2.gz KLBVFVGQAQYUDC-GFCCVEGCSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@]1(F)CCOC1 ZINC001377341933 974980715 /nfs/dbraw/zinc/98/07/15/974980715.db2.gz LDMCKUDPENKIGR-GFCCVEGCSA-N 1 2 278.755 1.306 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@]1(F)CCOC1 ZINC001377341933 974980716 /nfs/dbraw/zinc/98/07/16/974980716.db2.gz LDMCKUDPENKIGR-GFCCVEGCSA-N 1 2 278.755 1.306 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1cncn1C ZINC001506038818 975098706 /nfs/dbraw/zinc/09/87/06/975098706.db2.gz NGXWAFMIJLFHSH-NSHDSACASA-N 1 2 284.791 1.152 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1cncn1C ZINC001506038818 975098710 /nfs/dbraw/zinc/09/87/10/975098710.db2.gz NGXWAFMIJLFHSH-NSHDSACASA-N 1 2 284.791 1.152 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnc2[nH]cnc2c1 ZINC001399482926 976521289 /nfs/dbraw/zinc/52/12/89/976521289.db2.gz LWVSEJVWWLBHKD-UHFFFAOYSA-N 1 2 293.758 1.372 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnc2[nH]cnc2c1 ZINC001399482926 976521299 /nfs/dbraw/zinc/52/12/99/976521299.db2.gz LWVSEJVWWLBHKD-UHFFFAOYSA-N 1 2 293.758 1.372 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CCn2ccnc2C1 ZINC001399501565 976533852 /nfs/dbraw/zinc/53/38/52/976533852.db2.gz HIACUJMWVSOYDJ-LBPRGKRZSA-N 1 2 296.802 1.246 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CCn2ccnc2C1 ZINC001399501565 976533859 /nfs/dbraw/zinc/53/38/59/976533859.db2.gz HIACUJMWVSOYDJ-LBPRGKRZSA-N 1 2 296.802 1.246 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001390819608 976536391 /nfs/dbraw/zinc/53/63/91/976536391.db2.gz SFYILFGOISLMMR-UONOGXRCSA-N 1 2 293.798 1.986 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001390819608 976536400 /nfs/dbraw/zinc/53/64/00/976536400.db2.gz SFYILFGOISLMMR-UONOGXRCSA-N 1 2 293.798 1.986 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)Cc2cc[nH]n2)C1 ZINC001407208828 976605379 /nfs/dbraw/zinc/60/53/79/976605379.db2.gz RVCGERMILSVHQQ-ZDUSSCGKSA-N 1 2 282.775 1.285 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)Cc2cc[nH]n2)C1 ZINC001407208828 976605387 /nfs/dbraw/zinc/60/53/87/976605387.db2.gz RVCGERMILSVHQQ-ZDUSSCGKSA-N 1 2 282.775 1.285 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cn(C)nc1C(C)C ZINC001399649942 976619733 /nfs/dbraw/zinc/61/97/33/976619733.db2.gz AGOQWQYRXUKULA-UHFFFAOYSA-N 1 2 298.818 1.958 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cn(C)nc1C(C)C ZINC001399649942 976619739 /nfs/dbraw/zinc/61/97/39/976619739.db2.gz AGOQWQYRXUKULA-UHFFFAOYSA-N 1 2 298.818 1.958 20 30 CDEDLO CCc1noc(C[N@H+](C)CCCN(C)C(=O)[C@H](C)C#N)n1 ZINC001380950445 976622311 /nfs/dbraw/zinc/62/23/11/976622311.db2.gz UGWGUJBTIBTRFO-LLVKDONJSA-N 1 2 293.371 1.072 20 30 CDEDLO CCc1noc(C[N@@H+](C)CCCN(C)C(=O)[C@H](C)C#N)n1 ZINC001380950445 976622315 /nfs/dbraw/zinc/62/23/15/976622315.db2.gz UGWGUJBTIBTRFO-LLVKDONJSA-N 1 2 293.371 1.072 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)[C@@H](C)c1nnc(C)[nH]1 ZINC001399935398 976757859 /nfs/dbraw/zinc/75/78/59/976757859.db2.gz AJBGTQPKHMDVHH-QWRGUYRKSA-N 1 2 292.387 1.162 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)[C@@H](C)c1nnc(C)[nH]1 ZINC001399935398 976757869 /nfs/dbraw/zinc/75/78/69/976757869.db2.gz AJBGTQPKHMDVHH-QWRGUYRKSA-N 1 2 292.387 1.162 20 30 CDEDLO C[C@H](C#N)C(=O)NCC1C[NH+](Cc2ccncc2Cl)C1 ZINC001391474383 976910146 /nfs/dbraw/zinc/91/01/46/976910146.db2.gz NGSWALNWEICOKG-SNVBAGLBSA-N 1 2 292.770 1.443 20 30 CDEDLO C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001598624909 994072326 /nfs/dbraw/zinc/07/23/26/994072326.db2.gz JRNJBVNQEZNXCI-ARFHVFGLSA-N 1 2 299.374 1.852 20 30 CDEDLO C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001598624909 994072334 /nfs/dbraw/zinc/07/23/34/994072334.db2.gz JRNJBVNQEZNXCI-ARFHVFGLSA-N 1 2 299.374 1.852 20 30 CDEDLO C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001598624909 994072343 /nfs/dbraw/zinc/07/23/43/994072343.db2.gz JRNJBVNQEZNXCI-ARFHVFGLSA-N 1 2 299.374 1.852 20 30 CDEDLO C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001598624909 994072355 /nfs/dbraw/zinc/07/23/55/994072355.db2.gz JRNJBVNQEZNXCI-ARFHVFGLSA-N 1 2 299.374 1.852 20 30 CDEDLO N#Cc1cc(NC(=O)[C@H]2COCC[NH2+]2)ccc1Cl ZINC000088358512 1173919899 /nfs/dbraw/zinc/91/98/99/1173919899.db2.gz MRSHLPWZQUPGED-LLVKDONJSA-N 1 2 265.700 1.139 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000590120604 342522208 /nfs/dbraw/zinc/52/22/08/342522208.db2.gz GINHLMWPYUEFMR-UONOGXRCSA-N 1 2 263.337 1.249 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000590120604 342522209 /nfs/dbraw/zinc/52/22/09/342522209.db2.gz GINHLMWPYUEFMR-UONOGXRCSA-N 1 2 263.337 1.249 20 30 CDEDLO N#Cc1ccc(C2=CC[N@H+]([C@H]3CC(=O)NC3=O)CC2)cc1 ZINC000565157386 365598323 /nfs/dbraw/zinc/59/83/23/365598323.db2.gz OLYGHXHTQZPSAP-AWEZNQCLSA-N 1 2 281.315 1.062 20 30 CDEDLO N#Cc1ccc(C2=CC[N@@H+]([C@H]3CC(=O)NC3=O)CC2)cc1 ZINC000565157386 365598327 /nfs/dbraw/zinc/59/83/27/365598327.db2.gz OLYGHXHTQZPSAP-AWEZNQCLSA-N 1 2 281.315 1.062 20 30 CDEDLO CC(C)C[C@@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000608823098 342052360 /nfs/dbraw/zinc/05/23/60/342052360.db2.gz BWPFFFQYEBSHPA-NSHDSACASA-N 1 2 284.323 1.330 20 30 CDEDLO CNc1nc(N2CCC(C#N)CC2)[nH+]c2ccccc21 ZINC000590687354 342582892 /nfs/dbraw/zinc/58/28/92/342582892.db2.gz ZGXCYRBYDZXIOB-UHFFFAOYSA-N 1 2 267.336 1.833 20 30 CDEDLO C[C@@H]1C[N@H+](CCNc2cccc(C#N)c2[N+](=O)[O-])CCO1 ZINC000590688588 342583076 /nfs/dbraw/zinc/58/30/76/342583076.db2.gz WRNGPQXHPBEGOQ-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNc2cccc(C#N)c2[N+](=O)[O-])CCO1 ZINC000590688588 342583077 /nfs/dbraw/zinc/58/30/77/342583077.db2.gz WRNGPQXHPBEGOQ-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2cccnc2N)CC1 ZINC000590709360 342585301 /nfs/dbraw/zinc/58/53/01/342585301.db2.gz LNGHAIGKXKTISK-CQSZACIVSA-N 1 2 273.384 1.330 20 30 CDEDLO COC(=O)c1cc(C[NH+]2CCN(CCC#N)CC2)cs1 ZINC000591020513 342614248 /nfs/dbraw/zinc/61/42/48/342614248.db2.gz JKAXSGGLZZFDSE-UHFFFAOYSA-N 1 2 293.392 1.566 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000591047371 342615937 /nfs/dbraw/zinc/61/59/37/342615937.db2.gz SVVFNKRUTWETBY-GFCCVEGCSA-N 1 2 276.336 1.652 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000599279503 343996154 /nfs/dbraw/zinc/99/61/54/343996154.db2.gz QSLQVZUMSFKDSM-ZDUSSCGKSA-N 1 2 295.342 1.377 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000599279503 343996155 /nfs/dbraw/zinc/99/61/55/343996155.db2.gz QSLQVZUMSFKDSM-ZDUSSCGKSA-N 1 2 295.342 1.377 20 30 CDEDLO C=CCSCCNc1[nH+]cnc2c1OCCN2 ZINC000591141740 342618382 /nfs/dbraw/zinc/61/83/82/342618382.db2.gz RNKSRXRLGPZEHM-UHFFFAOYSA-N 1 2 252.343 1.034 20 30 CDEDLO C=CCSCCNc1nc[nH+]c2c1OCCN2 ZINC000591141740 342618383 /nfs/dbraw/zinc/61/83/83/342618383.db2.gz RNKSRXRLGPZEHM-UHFFFAOYSA-N 1 2 252.343 1.034 20 30 CDEDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC(=O)NCC#N ZINC000611555351 346823222 /nfs/dbraw/zinc/82/32/22/346823222.db2.gz YXNWLRXMVMCETL-RKDXNWHRSA-N 1 2 263.263 1.289 20 30 CDEDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC(=O)NCC#N ZINC000611555351 346823226 /nfs/dbraw/zinc/82/32/26/346823226.db2.gz YXNWLRXMVMCETL-RKDXNWHRSA-N 1 2 263.263 1.289 20 30 CDEDLO Cc1cc(N2CCC(N3CCCC3=O)CC2)c(C#N)c[nH+]1 ZINC000591819597 342647256 /nfs/dbraw/zinc/64/72/56/342647256.db2.gz SWSHGWCTJINZHG-UHFFFAOYSA-N 1 2 284.363 1.853 20 30 CDEDLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592146968 342673930 /nfs/dbraw/zinc/67/39/30/342673930.db2.gz HGRVHOMCRPYZMN-CZUORRHYSA-N 1 2 287.363 1.673 20 30 CDEDLO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592146968 342673931 /nfs/dbraw/zinc/67/39/31/342673931.db2.gz HGRVHOMCRPYZMN-CZUORRHYSA-N 1 2 287.363 1.673 20 30 CDEDLO C[C@H]1CSCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000070219813 361836581 /nfs/dbraw/zinc/83/65/81/361836581.db2.gz IOCQCQRHJBPCJE-NSHDSACASA-N 1 2 275.377 1.934 20 30 CDEDLO C[C@H]1CSCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000070219813 361836583 /nfs/dbraw/zinc/83/65/83/361836583.db2.gz IOCQCQRHJBPCJE-NSHDSACASA-N 1 2 275.377 1.934 20 30 CDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000448628593 361842918 /nfs/dbraw/zinc/84/29/18/361842918.db2.gz BMEOXWNRXFODDZ-WBMJQRKESA-N 1 2 284.363 1.848 20 30 CDEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)c(F)c1 ZINC000592946354 342748993 /nfs/dbraw/zinc/74/89/93/342748993.db2.gz MYCRAMJHDGTVNT-CYBMUJFWSA-N 1 2 298.321 1.773 20 30 CDEDLO Cc1cccc2[nH+]c(CCNC(=O)CSCC#N)cn21 ZINC000592746804 342721138 /nfs/dbraw/zinc/72/11/38/342721138.db2.gz WNEHJTPZDVCDDH-UHFFFAOYSA-N 1 2 288.376 1.558 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000339750530 361870443 /nfs/dbraw/zinc/87/04/43/361870443.db2.gz NNLSFRGXSGIWFX-CABCVRRESA-N 1 2 280.412 1.653 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000339750530 361870447 /nfs/dbraw/zinc/87/04/47/361870447.db2.gz NNLSFRGXSGIWFX-CABCVRRESA-N 1 2 280.412 1.653 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)N3CC[C@](O)(CC#N)C3)cc2n1C ZINC000592851969 342736672 /nfs/dbraw/zinc/73/66/72/342736672.db2.gz GTPUTGMUYVEBCY-MRXNPFEDSA-N 1 2 298.346 1.372 20 30 CDEDLO C=C(C)CN1CCc2[nH+]c[nH]c2[C@@H]1c1ccnn1C ZINC000625499847 342174713 /nfs/dbraw/zinc/17/47/13/342174713.db2.gz JQIKTOBVHDDMKV-AWEZNQCLSA-N 1 2 257.341 1.667 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N(CC)CCC#N)[C@@H](C)CO1 ZINC000593065176 342761797 /nfs/dbraw/zinc/76/17/97/342761797.db2.gz YTTVHXGHYFCGCP-QWHCGFSZSA-N 1 2 267.373 1.248 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)CCC#N)[C@@H](C)CO1 ZINC000593065176 342761798 /nfs/dbraw/zinc/76/17/98/342761798.db2.gz YTTVHXGHYFCGCP-QWHCGFSZSA-N 1 2 267.373 1.248 20 30 CDEDLO CC(C)c1nc(N(C)C)nc(NCC2(CC#N)CC2)[nH+]1 ZINC000619527674 349790282 /nfs/dbraw/zinc/79/02/82/349790282.db2.gz LHGAXLLPXDHPJZ-UHFFFAOYSA-N 1 2 274.372 1.589 20 30 CDEDLO CC(C)c1nc(NCC2(CC#N)CC2)nc(N(C)C)[nH+]1 ZINC000619527674 349790288 /nfs/dbraw/zinc/79/02/88/349790288.db2.gz LHGAXLLPXDHPJZ-UHFFFAOYSA-N 1 2 274.372 1.589 20 30 CDEDLO N#CCNC(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000076667773 342322961 /nfs/dbraw/zinc/32/29/61/342322961.db2.gz ANSHGBWPDBJKDC-UHFFFAOYSA-N 1 2 292.770 1.102 20 30 CDEDLO CO[C@@H](C)c1noc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595613446 343109184 /nfs/dbraw/zinc/10/91/84/343109184.db2.gz CTKLATAZAWDLOA-QWRGUYRKSA-N 1 2 264.329 1.903 20 30 CDEDLO CO[C@@H](C)c1noc(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595613446 343109185 /nfs/dbraw/zinc/10/91/85/343109185.db2.gz CTKLATAZAWDLOA-QWRGUYRKSA-N 1 2 264.329 1.903 20 30 CDEDLO N#Cc1sccc1N1CC[NH+](Cc2cccnc2N)CC1 ZINC000595629894 343113408 /nfs/dbraw/zinc/11/34/08/343113408.db2.gz PIHWVIZWJGXFEY-UHFFFAOYSA-N 1 2 299.403 1.919 20 30 CDEDLO C[N@H+](CC1=CCCOC1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000595748244 343151887 /nfs/dbraw/zinc/15/18/87/343151887.db2.gz YUBWQCLVELPRMA-HNNXBMFYSA-N 1 2 285.347 1.363 20 30 CDEDLO C[N@@H+](CC1=CCCOC1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000595748244 343151889 /nfs/dbraw/zinc/15/18/89/343151889.db2.gz YUBWQCLVELPRMA-HNNXBMFYSA-N 1 2 285.347 1.363 20 30 CDEDLO CC(C)C[C@H](C[NH3+])CC(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000595933720 343185592 /nfs/dbraw/zinc/18/55/92/343185592.db2.gz XYVMDONLXDKPPS-VIFPVBQESA-N 1 2 274.328 1.103 20 30 CDEDLO CCc1nc(C#N)cc(NC[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000596081156 343219919 /nfs/dbraw/zinc/21/99/19/343219919.db2.gz UAFXPZIVWPJPGA-LLVKDONJSA-N 1 2 270.340 1.277 20 30 CDEDLO CCc1nc(C#N)cc(N[C@@H](C)c2[nH+]ccn2CC)n1 ZINC000596256431 343276022 /nfs/dbraw/zinc/27/60/22/343276022.db2.gz ANRHKVMHTZPNFW-JTQLQIEISA-N 1 2 270.340 1.722 20 30 CDEDLO CCC(CC)[C@H](C(=O)N(CC)CC#N)[NH+]1CCOCC1 ZINC000344182629 282247744 /nfs/dbraw/zinc/24/77/44/282247744.db2.gz CPUGVCZZVZRKCQ-CQSZACIVSA-N 1 2 281.400 1.495 20 30 CDEDLO N#Cc1nccnc1NCc1ccc[nH+]c1N1CCCC1 ZINC000596355765 343309664 /nfs/dbraw/zinc/30/96/64/343309664.db2.gz JQYHYSITNIRADX-UHFFFAOYSA-N 1 2 280.335 1.956 20 30 CDEDLO CCc1nc(C#N)cc(N[C@@H](C)c2[nH+]ccn2C)n1 ZINC000596543384 343347031 /nfs/dbraw/zinc/34/70/31/343347031.db2.gz SOGOLTOCLQTPLM-VIFPVBQESA-N 1 2 256.313 1.239 20 30 CDEDLO COc1cncc(C[NH+]2CCN(CCC#N)CC2)c1 ZINC000588963770 342446237 /nfs/dbraw/zinc/44/62/37/342446237.db2.gz PNPQWDDNARZZAP-UHFFFAOYSA-N 1 2 260.341 1.121 20 30 CDEDLO Cc1noc(C)c1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000094150771 342429944 /nfs/dbraw/zinc/42/99/44/342429944.db2.gz CPGXDQWMSVBVIS-UHFFFAOYSA-N 1 2 297.362 1.880 20 30 CDEDLO N#Cc1ccc2c(c1)CCN2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000597771808 343630681 /nfs/dbraw/zinc/63/06/81/343630681.db2.gz HPTZPZLOIXBFOP-CQSZACIVSA-N 1 2 292.342 1.906 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 ZINC000619717091 349867802 /nfs/dbraw/zinc/86/78/02/349867802.db2.gz SRPQIXIBWLBZFJ-BFHYXJOUSA-N 1 2 296.411 1.731 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 ZINC000619717091 349867803 /nfs/dbraw/zinc/86/78/03/349867803.db2.gz SRPQIXIBWLBZFJ-BFHYXJOUSA-N 1 2 296.411 1.731 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000619718929 349869361 /nfs/dbraw/zinc/86/93/61/349869361.db2.gz IOHMACSVEATJFU-LBPRGKRZSA-N 1 2 255.358 1.994 20 30 CDEDLO C[C@@H](NC(=O)COc1ccccc1C#N)c1[nH+]ccn1C ZINC000598459244 343804913 /nfs/dbraw/zinc/80/49/13/343804913.db2.gz GEQIIVCCRDTSNI-LLVKDONJSA-N 1 2 284.319 1.548 20 30 CDEDLO CC[C@@H](C)NC(=O)CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000049066037 260203719 /nfs/dbraw/zinc/20/37/19/260203719.db2.gz GWKNANKHZJLGBM-SNVBAGLBSA-N 1 2 281.331 1.686 20 30 CDEDLO N#C[C@@H]1CN(Cc2c[nH+]cn2Cc2ccccc2)CCO1 ZINC000445801097 362265044 /nfs/dbraw/zinc/26/50/44/362265044.db2.gz DSWYDZRBUMLVNQ-MRXNPFEDSA-N 1 2 282.347 1.656 20 30 CDEDLO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000602332427 344402407 /nfs/dbraw/zinc/40/24/07/344402407.db2.gz JYHAKXWFGQBCSX-OJROKELRSA-N 1 2 267.373 1.006 20 30 CDEDLO N#CCC1(CN2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000602799956 344589860 /nfs/dbraw/zinc/58/98/60/344589860.db2.gz SMPWTVZXUKOBEC-UHFFFAOYSA-N 1 2 270.380 1.893 20 30 CDEDLO Cc1csc(=O)n1CC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612159572 347061341 /nfs/dbraw/zinc/06/13/41/347061341.db2.gz WJEIIAFTFAOMLC-CYBMUJFWSA-N 1 2 265.382 1.844 20 30 CDEDLO Cc1csc(=O)n1CC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612159572 347061344 /nfs/dbraw/zinc/06/13/44/347061344.db2.gz WJEIIAFTFAOMLC-CYBMUJFWSA-N 1 2 265.382 1.844 20 30 CDEDLO COc1ccc(NC(=O)C[NH2+][C@@H](C)CC#N)c(OC)c1 ZINC000602861300 344616644 /nfs/dbraw/zinc/61/66/44/344616644.db2.gz GVJXQSSGXMCORW-JTQLQIEISA-N 1 2 277.324 1.534 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1c[nH]nc1C ZINC000602942259 344666065 /nfs/dbraw/zinc/66/60/65/344666065.db2.gz MVKYZRXXHBBGMH-NSHDSACASA-N 1 2 277.372 1.158 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1c[nH]nc1C ZINC000602942259 344666068 /nfs/dbraw/zinc/66/60/68/344666068.db2.gz MVKYZRXXHBBGMH-NSHDSACASA-N 1 2 277.372 1.158 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000602863325 344624960 /nfs/dbraw/zinc/62/49/60/344624960.db2.gz OMRFPJFFRRHVHA-QBHFIFKDSA-N 1 2 251.374 1.962 20 30 CDEDLO Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1CC1(CC#N)CC1 ZINC000602853645 344628243 /nfs/dbraw/zinc/62/82/43/344628243.db2.gz KAKNZGCCOWCCMJ-HNNXBMFYSA-N 1 2 296.378 1.785 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000602865381 344638251 /nfs/dbraw/zinc/63/82/51/344638251.db2.gz XSRDDTNLWHEMPU-UPJWGTAASA-N 1 2 251.374 1.915 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000602865529 344638473 /nfs/dbraw/zinc/63/84/73/344638473.db2.gz YSBQZKQBBMBVRZ-SNVBAGLBSA-N 1 2 297.305 1.796 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000602867456 344639529 /nfs/dbraw/zinc/63/95/29/344639529.db2.gz CFEVHHAXABAXPV-GHMZBOCLSA-N 1 2 280.372 1.425 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(C(=O)OC)cc2)nn1 ZINC000603159048 344723547 /nfs/dbraw/zinc/72/35/47/344723547.db2.gz ABJKRVAPOXAMGU-UHFFFAOYSA-N 1 2 298.346 1.226 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cc(C#N)ccc2OC)nn1 ZINC000603238171 344757578 /nfs/dbraw/zinc/75/75/78/344757578.db2.gz ZGOCKJSMDAUXRT-UHFFFAOYSA-N 1 2 295.346 1.320 20 30 CDEDLO CC(C)[NH+]1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000084168132 178812719 /nfs/dbraw/zinc/81/27/19/178812719.db2.gz LSELLPWPBZLTLX-UHFFFAOYSA-N 1 2 263.366 1.786 20 30 CDEDLO C=CC[NH+](CC=C)CC(=O)N(CC)CC(=O)NC(C)C ZINC000070925713 345310882 /nfs/dbraw/zinc/31/08/82/345310882.db2.gz WLSYZIARKUIULA-UHFFFAOYSA-N 1 2 281.400 1.034 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+](CC(N)=O)C2CCCC2)c1 ZINC000047274306 345747087 /nfs/dbraw/zinc/74/70/87/345747087.db2.gz AAEQPTIKPUOOKC-UHFFFAOYSA-N 1 2 275.327 1.927 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+](CC(N)=O)C2CCCC2)c1 ZINC000047274306 345747089 /nfs/dbraw/zinc/74/70/89/345747089.db2.gz AAEQPTIKPUOOKC-UHFFFAOYSA-N 1 2 275.327 1.927 20 30 CDEDLO N#CCCCCS(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000609598396 345824747 /nfs/dbraw/zinc/82/47/47/345824747.db2.gz XHANFWDKOQLRSW-UHFFFAOYSA-N 1 2 285.413 1.180 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000295121738 199356631 /nfs/dbraw/zinc/35/66/31/199356631.db2.gz NJTKJFRJUWJVED-CQSZACIVSA-N 1 2 273.336 1.831 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000295121738 199356632 /nfs/dbraw/zinc/35/66/32/199356632.db2.gz NJTKJFRJUWJVED-CQSZACIVSA-N 1 2 273.336 1.831 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2CC(Oc3cc[nH+]cc3)C2)c1 ZINC000610490211 346293900 /nfs/dbraw/zinc/29/39/00/346293900.db2.gz OKOGOXXDMOUTTO-UHFFFAOYSA-N 1 2 268.276 1.185 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000610676572 346349260 /nfs/dbraw/zinc/34/92/60/346349260.db2.gz VYADJGSZRGHUCU-JOYOIKCWSA-N 1 2 279.290 1.962 20 30 CDEDLO CN(CC(=O)N(C)C1(C#N)CCCCC1)Cc1[nH]cc[nH+]1 ZINC000611191130 346685462 /nfs/dbraw/zinc/68/54/62/346685462.db2.gz PFYIVSVLLLJXKA-UHFFFAOYSA-N 1 2 289.383 1.526 20 30 CDEDLO COCCc1noc(C[NH2+][C@@H](C)c2cccc(C#N)c2)n1 ZINC000611387251 346776130 /nfs/dbraw/zinc/77/61/30/346776130.db2.gz IOPQQNPXOCDRAY-NSHDSACASA-N 1 2 286.335 1.981 20 30 CDEDLO C=CCC1(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CCCC1 ZINC000449845237 362776917 /nfs/dbraw/zinc/77/69/17/362776917.db2.gz ZKKBSYYATAABBN-AWEZNQCLSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CCC1(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CCCC1 ZINC000449845237 362776922 /nfs/dbraw/zinc/77/69/22/362776922.db2.gz ZKKBSYYATAABBN-AWEZNQCLSA-N 1 2 280.412 1.960 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C)c(C)c2)CC1 ZINC000490778901 347577547 /nfs/dbraw/zinc/57/75/47/347577547.db2.gz ODANGJCBXGTPGO-UHFFFAOYSA-N 1 2 285.391 1.493 20 30 CDEDLO C#C[C@@H](NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1)C(C)C ZINC000491221063 347579921 /nfs/dbraw/zinc/57/99/21/347579921.db2.gz SLVPCVAQDITGMA-OLZOCXBDSA-N 1 2 274.368 1.828 20 30 CDEDLO CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)c1cccc(C#N)c1 ZINC000614307754 348068108 /nfs/dbraw/zinc/06/81/08/348068108.db2.gz BUOOWDPSIYNSQO-ZDUSSCGKSA-N 1 2 280.331 1.980 20 30 CDEDLO Cc1ccc(SC[C@@H](O)C[N@H+](C)CCC#N)nc1 ZINC000414128536 362920921 /nfs/dbraw/zinc/92/09/21/362920921.db2.gz GYUOEMDBGGUSMX-LBPRGKRZSA-N 1 2 265.382 1.689 20 30 CDEDLO Cc1ccc(SC[C@@H](O)C[N@@H+](C)CCC#N)nc1 ZINC000414128536 362920927 /nfs/dbraw/zinc/92/09/27/362920927.db2.gz GYUOEMDBGGUSMX-LBPRGKRZSA-N 1 2 265.382 1.689 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc(F)c1C#N ZINC000414135025 362922365 /nfs/dbraw/zinc/92/23/65/362922365.db2.gz HYMKTRGVARDWAT-NSHDSACASA-N 1 2 277.299 1.283 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc(F)c1C#N ZINC000414135025 362922372 /nfs/dbraw/zinc/92/23/72/362922372.db2.gz HYMKTRGVARDWAT-NSHDSACASA-N 1 2 277.299 1.283 20 30 CDEDLO CCc1[nH+]c2ccccc2n1CC(=O)NC[C@H](C)C#N ZINC000171840480 348481004 /nfs/dbraw/zinc/48/10/04/348481004.db2.gz ROQNARAJXCFAJK-LLVKDONJSA-N 1 2 270.336 1.875 20 30 CDEDLO N#C[C@]1(F)CCN(C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000615577821 348595907 /nfs/dbraw/zinc/59/59/07/348595907.db2.gz NNJQZANULGPXIS-CQSZACIVSA-N 1 2 287.298 1.481 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)COc1ccccc1F ZINC000263740286 362942846 /nfs/dbraw/zinc/94/28/46/362942846.db2.gz USTZGJUXUOBHRQ-NEPJUHHUSA-N 1 2 266.316 1.657 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)COc1ccccc1F ZINC000263740286 362942852 /nfs/dbraw/zinc/94/28/52/362942852.db2.gz USTZGJUXUOBHRQ-NEPJUHHUSA-N 1 2 266.316 1.657 20 30 CDEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1cc(C)c(C#N)cn1 ZINC000603138651 350214171 /nfs/dbraw/zinc/21/41/71/350214171.db2.gz URNAADNXHCQGDK-LLVKDONJSA-N 1 2 298.350 1.783 20 30 CDEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2ncc[nH]2)CC1 ZINC000111201631 186369209 /nfs/dbraw/zinc/36/92/09/186369209.db2.gz WZKCKSSKFBCCEN-UHFFFAOYSA-N 1 2 281.363 1.994 20 30 CDEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2ncc[nH]2)CC1 ZINC000111201631 186369210 /nfs/dbraw/zinc/36/92/10/186369210.db2.gz WZKCKSSKFBCCEN-UHFFFAOYSA-N 1 2 281.363 1.994 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(F)c(F)c1 ZINC000068612925 351111260 /nfs/dbraw/zinc/11/12/60/351111260.db2.gz WMCYCCPZJDMWIX-QMMMGPOBSA-N 1 2 253.252 1.795 20 30 CDEDLO C=C(Br)C[NH+]1CCC(C(=O)N(C)OC)CC1 ZINC000291999008 198130071 /nfs/dbraw/zinc/13/00/71/198130071.db2.gz XHTXCEFWRKTTGC-UHFFFAOYSA-N 1 2 291.189 1.627 20 30 CDEDLO C[C@H](c1nncn1C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000287368550 358470645 /nfs/dbraw/zinc/47/06/45/358470645.db2.gz PZMQGDJSVJAQHQ-LLVKDONJSA-N 1 2 255.325 1.880 20 30 CDEDLO C[C@H](c1nncn1C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000287368550 358470647 /nfs/dbraw/zinc/47/06/47/358470647.db2.gz PZMQGDJSVJAQHQ-LLVKDONJSA-N 1 2 255.325 1.880 20 30 CDEDLO C#CCCCCNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000156113797 188243397 /nfs/dbraw/zinc/24/33/97/188243397.db2.gz JRDQZAUZLDBFQG-UHFFFAOYSA-N 1 2 268.320 1.801 20 30 CDEDLO CC(C)C(=O)NCC[N@H+](C)Cc1cc(F)ccc1C#N ZINC000157650197 188331087 /nfs/dbraw/zinc/33/10/87/188331087.db2.gz CZWIARQWDPMBFM-UHFFFAOYSA-N 1 2 277.343 1.901 20 30 CDEDLO CC(C)C(=O)NCC[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000157650197 188331089 /nfs/dbraw/zinc/33/10/89/188331089.db2.gz CZWIARQWDPMBFM-UHFFFAOYSA-N 1 2 277.343 1.901 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccnn1CC ZINC000352342393 363241407 /nfs/dbraw/zinc/24/14/07/363241407.db2.gz RUJFGRCUROQEMJ-CQSZACIVSA-N 1 2 290.411 1.924 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1ccnn1CC ZINC000352342393 363241411 /nfs/dbraw/zinc/24/14/11/363241411.db2.gz RUJFGRCUROQEMJ-CQSZACIVSA-N 1 2 290.411 1.924 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(C(=O)C(CC)CC)CC1 ZINC000642097891 366146666 /nfs/dbraw/zinc/14/66/66/366146666.db2.gz FQUHLPUGTMGFLI-ZDUSSCGKSA-N 1 2 295.427 1.258 20 30 CDEDLO N#CCCN(Cc1cccnc1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493061508 366190592 /nfs/dbraw/zinc/19/05/92/366190592.db2.gz ZJBFHISJXLBSOJ-SNAWJCMRSA-N 1 2 281.319 1.760 20 30 CDEDLO CN1CC[C@@H]([N@H+](C)Cc2cccc(C#N)c2F)C1=O ZINC000336435462 356174606 /nfs/dbraw/zinc/17/46/06/356174606.db2.gz FZSJTFRJQHXOEX-GFCCVEGCSA-N 1 2 261.300 1.360 20 30 CDEDLO CN1CC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2F)C1=O ZINC000336435462 356174610 /nfs/dbraw/zinc/17/46/10/356174610.db2.gz FZSJTFRJQHXOEX-GFCCVEGCSA-N 1 2 261.300 1.360 20 30 CDEDLO N#Cc1ccccc1C[N@H+](CCO)Cc1cccnc1 ZINC000175586617 356638613 /nfs/dbraw/zinc/63/86/13/356638613.db2.gz IBDHOCLLBCPOIS-UHFFFAOYSA-N 1 2 267.332 1.948 20 30 CDEDLO N#Cc1ccccc1C[N@@H+](CCO)Cc1cccnc1 ZINC000175586617 356638620 /nfs/dbraw/zinc/63/86/20/356638620.db2.gz IBDHOCLLBCPOIS-UHFFFAOYSA-N 1 2 267.332 1.948 20 30 CDEDLO C=CCCOCC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000144554227 356729669 /nfs/dbraw/zinc/72/96/69/356729669.db2.gz GLYWIQGBEOTWRP-UHFFFAOYSA-N 1 2 273.336 1.586 20 30 CDEDLO Cc1nc(C(=O)Nc2cc[nH+]cc2O)ccc1C#N ZINC000336908277 356784821 /nfs/dbraw/zinc/78/48/21/356784821.db2.gz ZZVVCIQQLSQABZ-UHFFFAOYSA-N 1 2 254.249 1.037 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NCc1ccccc1F ZINC000299189505 356983092 /nfs/dbraw/zinc/98/30/92/356983092.db2.gz CTELVFKFTNQVCE-ZDUSSCGKSA-N 1 2 272.323 1.399 20 30 CDEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)C(C)(C)C ZINC000299202075 356985155 /nfs/dbraw/zinc/98/51/55/356985155.db2.gz FWJWEQKPKCDPKN-GFCCVEGCSA-N 1 2 298.346 1.437 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc(Cl)c(C#N)n1 ZINC000344414119 357000018 /nfs/dbraw/zinc/00/00/18/357000018.db2.gz ZUHQQCQRKRVORO-SNVBAGLBSA-N 1 2 280.759 1.161 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNc1ccc(Cl)c(C#N)n1 ZINC000344414119 357000021 /nfs/dbraw/zinc/00/00/21/357000021.db2.gz ZUHQQCQRKRVORO-SNVBAGLBSA-N 1 2 280.759 1.161 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000299348069 357035546 /nfs/dbraw/zinc/03/55/46/357035546.db2.gz QTYFUSHZIACCHR-GDBMZVCRSA-N 1 2 296.370 1.583 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1cc(=O)n2cccc(C)c2n1 ZINC000568180872 357164021 /nfs/dbraw/zinc/16/40/21/357164021.db2.gz FDNFIOOVUFKPHW-GFCCVEGCSA-N 1 2 270.336 1.785 20 30 CDEDLO CCCC[N@H+](CC(N)=O)CC(=O)Nc1sccc1C#N ZINC000045804961 357129205 /nfs/dbraw/zinc/12/92/05/357129205.db2.gz ZZJOHDPYYRBPHH-UHFFFAOYSA-N 1 2 294.380 1.146 20 30 CDEDLO CCCC[N@@H+](CC(N)=O)CC(=O)Nc1sccc1C#N ZINC000045804961 357129209 /nfs/dbraw/zinc/12/92/09/357129209.db2.gz ZZJOHDPYYRBPHH-UHFFFAOYSA-N 1 2 294.380 1.146 20 30 CDEDLO C#CC[N@H+](Cc1nnnn1C1CCOCC1)C1CCCC1 ZINC000491699218 357314527 /nfs/dbraw/zinc/31/45/27/357314527.db2.gz IOCNKGUZZIIDLY-UHFFFAOYSA-N 1 2 289.383 1.402 20 30 CDEDLO C#CC[N@@H+](Cc1nnnn1C1CCOCC1)C1CCCC1 ZINC000491699218 357314530 /nfs/dbraw/zinc/31/45/30/357314530.db2.gz IOCNKGUZZIIDLY-UHFFFAOYSA-N 1 2 289.383 1.402 20 30 CDEDLO C[C@@H](O)CNc1cc(N(C)Cc2ccc(C#N)cc2)nc[nH+]1 ZINC000294407848 199028298 /nfs/dbraw/zinc/02/82/98/199028298.db2.gz NQYYKHQGONWVPD-GFCCVEGCSA-N 1 2 297.362 1.777 20 30 CDEDLO C[C@@H](O)CNc1cc(N(C)Cc2ccc(C#N)cc2)[nH+]cn1 ZINC000294407848 199028299 /nfs/dbraw/zinc/02/82/99/199028299.db2.gz NQYYKHQGONWVPD-GFCCVEGCSA-N 1 2 297.362 1.777 20 30 CDEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000335560466 357925942 /nfs/dbraw/zinc/92/59/42/357925942.db2.gz VXVGIYIJHTXBID-CQSZACIVSA-N 1 2 280.331 1.634 20 30 CDEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000189550471 358025397 /nfs/dbraw/zinc/02/53/97/358025397.db2.gz URDXJTZAHJMYLO-KGLIPLIRSA-N 1 2 274.320 1.057 20 30 CDEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000189550471 358025401 /nfs/dbraw/zinc/02/54/01/358025401.db2.gz URDXJTZAHJMYLO-KGLIPLIRSA-N 1 2 274.320 1.057 20 30 CDEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191366574 358128579 /nfs/dbraw/zinc/12/85/79/358128579.db2.gz OYGYSOPCXRWNNT-MNOVXSKESA-N 1 2 283.397 1.150 20 30 CDEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191366574 358128581 /nfs/dbraw/zinc/12/85/81/358128581.db2.gz OYGYSOPCXRWNNT-MNOVXSKESA-N 1 2 283.397 1.150 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000592148753 358587483 /nfs/dbraw/zinc/58/74/83/358587483.db2.gz BHSDLAFERLEXRL-NVXWUHKLSA-N 1 2 299.374 1.357 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000592148753 358587485 /nfs/dbraw/zinc/58/74/85/358587485.db2.gz BHSDLAFERLEXRL-NVXWUHKLSA-N 1 2 299.374 1.357 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000563081067 358659513 /nfs/dbraw/zinc/65/95/13/358659513.db2.gz KXFYZDVKHMVXHX-ZIAGYGMSSA-N 1 2 293.411 1.638 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000563081067 358659516 /nfs/dbraw/zinc/65/95/16/358659516.db2.gz KXFYZDVKHMVXHX-ZIAGYGMSSA-N 1 2 293.411 1.638 20 30 CDEDLO COc1cc(OC)c(C[NH2+]C[C@H](C)C#N)c(OC)c1 ZINC000054180536 358703327 /nfs/dbraw/zinc/70/33/27/358703327.db2.gz MHDFHXNWSVYFOB-SNVBAGLBSA-N 1 2 264.325 1.962 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000179338071 283389128 /nfs/dbraw/zinc/38/91/28/283389128.db2.gz IBXPKEDSRSQGFK-LBPRGKRZSA-N 1 2 263.366 1.720 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000179338071 283389129 /nfs/dbraw/zinc/38/91/29/283389129.db2.gz IBXPKEDSRSQGFK-LBPRGKRZSA-N 1 2 263.366 1.720 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000636727518 358824012 /nfs/dbraw/zinc/82/40/12/358824012.db2.gz ZAATUISHDKWYHC-LLVKDONJSA-N 1 2 278.356 1.229 20 30 CDEDLO Cc1nc(N2CCN(c3cccc[nH+]3)CC2)ccc1C#N ZINC000291560566 359020823 /nfs/dbraw/zinc/02/08/23/359020823.db2.gz CHUMVRKWCCREEO-UHFFFAOYSA-N 1 2 279.347 1.983 20 30 CDEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(CC#N)CC#N ZINC000346718102 359089987 /nfs/dbraw/zinc/08/99/87/359089987.db2.gz HVPZCYYDOJFGPX-CHWSQXEVSA-N 1 2 283.335 1.030 20 30 CDEDLO C=C1CC[NH+](CC(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000264519011 359312784 /nfs/dbraw/zinc/31/27/84/359312784.db2.gz ZNPAPZSEEOSDHI-UHFFFAOYSA-N 1 2 285.347 1.624 20 30 CDEDLO C#CC[NH+]1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000272269962 359450358 /nfs/dbraw/zinc/45/03/58/359450358.db2.gz AZHXOWSTDWHHQX-CQSZACIVSA-N 1 2 291.782 1.117 20 30 CDEDLO N#Cc1ncn(CC[NH2+]Cc2cccc(Cl)c2O)n1 ZINC000289245716 359515895 /nfs/dbraw/zinc/51/58/95/359515895.db2.gz DYARMCGEFCOJRE-UHFFFAOYSA-N 1 2 277.715 1.299 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495728847 366535968 /nfs/dbraw/zinc/53/59/68/366535968.db2.gz MVRCKNLABILYKS-UHFFFAOYSA-N 1 2 270.373 1.742 20 30 CDEDLO C[C@@H]1[C@H](C)N(C(=O)c2ccc(C#N)c(O)c2)CC[N@@H+]1C ZINC000408428761 359768930 /nfs/dbraw/zinc/76/89/30/359768930.db2.gz VTQUGGXSXZAOAH-MNOVXSKESA-N 1 2 273.336 1.428 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)on1 ZINC000267339897 359918829 /nfs/dbraw/zinc/91/88/29/359918829.db2.gz DIBNGLKGWOAOFJ-UHFFFAOYSA-N 1 2 283.335 1.572 20 30 CDEDLO N#Cc1ccncc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000572188864 359978894 /nfs/dbraw/zinc/97/88/94/359978894.db2.gz WOBPTPAHIZIVLV-UHFFFAOYSA-N 1 2 281.319 1.696 20 30 CDEDLO N#Cc1ccncc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000572188864 359978895 /nfs/dbraw/zinc/97/88/95/359978895.db2.gz WOBPTPAHIZIVLV-UHFFFAOYSA-N 1 2 281.319 1.696 20 30 CDEDLO Cc1nn(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c(C)c1Cl ZINC000515851234 360537070 /nfs/dbraw/zinc/53/70/70/360537070.db2.gz AMRVLJYTNDTSKA-ZDUSSCGKSA-N 1 2 297.790 1.113 20 30 CDEDLO CC(C)CCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000429044359 360745364 /nfs/dbraw/zinc/74/53/64/360745364.db2.gz DGYRIISHNYUEAI-UHFFFAOYSA-N 1 2 267.417 1.970 20 30 CDEDLO CS(=O)(=O)N[C@H]1CCC[C@H]1C/[NH+]=C/c1ccccc1O ZINC000129381140 360832529 /nfs/dbraw/zinc/83/25/29/360832529.db2.gz AAGATWWMHCGJAY-OMUGBHNSSA-N 1 2 296.392 1.529 20 30 CDEDLO CS(=O)(=O)N[C@H]1CCC[C@@H]1C/[NH+]=C/c1ccccc1O ZINC000129380683 360832699 /nfs/dbraw/zinc/83/26/99/360832699.db2.gz AAGATWWMHCGJAY-KURUJGOKSA-N 1 2 296.392 1.529 20 30 CDEDLO C=CCN(CC=C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000430253727 360914381 /nfs/dbraw/zinc/91/43/81/360914381.db2.gz ACAJOXKERYLXHP-GFCCVEGCSA-N 1 2 260.341 1.582 20 30 CDEDLO N#Cc1cccc([C@H]2C[N@H+](CCCCO)CCO2)c1 ZINC000367130643 360945800 /nfs/dbraw/zinc/94/58/00/360945800.db2.gz ZWSHYCZJNVJADX-OAHLLOKOSA-N 1 2 260.337 1.704 20 30 CDEDLO N#Cc1cccc([C@H]2C[N@@H+](CCCCO)CCO2)c1 ZINC000367130643 360945804 /nfs/dbraw/zinc/94/58/04/360945804.db2.gz ZWSHYCZJNVJADX-OAHLLOKOSA-N 1 2 260.337 1.704 20 30 CDEDLO CC#CCNC(=O)Cn1c2ccccc2[nH+]c1CC ZINC000179437366 189194570 /nfs/dbraw/zinc/19/45/70/189194570.db2.gz WALVNVMQQANJEF-UHFFFAOYSA-N 1 2 255.321 1.738 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000051315814 360960144 /nfs/dbraw/zinc/96/01/44/360960144.db2.gz ZJAYCUMXXGDITP-UHFFFAOYSA-N 1 2 279.290 1.748 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cnc(C)s1 ZINC000053154212 361270807 /nfs/dbraw/zinc/27/08/07/361270807.db2.gz GRGDXKWFFMPSTG-SECBINFHSA-N 1 2 296.396 1.284 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1cnc(C)s1 ZINC000053154212 361270808 /nfs/dbraw/zinc/27/08/08/361270808.db2.gz GRGDXKWFFMPSTG-SECBINFHSA-N 1 2 296.396 1.284 20 30 CDEDLO C[N@H+](CC(=O)NC1CCCCCC1)[C@@H]1COC[C@H]1O ZINC000329044871 361440227 /nfs/dbraw/zinc/44/02/27/361440227.db2.gz FKLBXQCPXFSRAZ-CHWSQXEVSA-N 1 2 270.373 1.357 20 30 CDEDLO C[N@@H+](CC(=O)NC1CCCCCC1)[C@@H]1COC[C@H]1O ZINC000329044871 361440231 /nfs/dbraw/zinc/44/02/31/361440231.db2.gz FKLBXQCPXFSRAZ-CHWSQXEVSA-N 1 2 270.373 1.357 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)NCC2(C(F)(F)F)CC2)C1 ZINC000329272145 361465937 /nfs/dbraw/zinc/46/59/37/361465937.db2.gz JNWFEXZJCKCPJP-SECBINFHSA-N 1 2 295.305 1.163 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)NCC2(C(F)(F)F)CC2)C1 ZINC000329272145 361465940 /nfs/dbraw/zinc/46/59/40/361465940.db2.gz JNWFEXZJCKCPJP-SECBINFHSA-N 1 2 295.305 1.163 20 30 CDEDLO CN(C)[C@@H](C(=O)Nc1cnn(C)c1)c1c[nH+]cn1C ZINC000329392788 361498043 /nfs/dbraw/zinc/49/80/43/361498043.db2.gz SIFWKRFMDDWSKC-LLVKDONJSA-N 1 2 262.317 1.045 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@H](CO)c2ccccc2C)nn1 ZINC000653611690 412721897 /nfs/dbraw/zinc/72/18/97/412721897.db2.gz IVGWJUBGNWKQBT-MRXNPFEDSA-N 1 2 286.379 1.986 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)s1 ZINC000042385245 363924274 /nfs/dbraw/zinc/92/42/74/363924274.db2.gz ZTEFWKUBRXSPLC-SECBINFHSA-N 1 2 270.785 1.971 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000042385245 363924280 /nfs/dbraw/zinc/92/42/80/363924280.db2.gz ZTEFWKUBRXSPLC-SECBINFHSA-N 1 2 270.785 1.971 20 30 CDEDLO N#Cc1cnn2cc(C[N@H+]3CCC[C@H]3CF)cnc12 ZINC000581071536 363964241 /nfs/dbraw/zinc/96/42/41/363964241.db2.gz FIQSROMPKUDWTR-LBPRGKRZSA-N 1 2 259.288 1.535 20 30 CDEDLO N#Cc1cnn2cc(C[N@@H+]3CCC[C@H]3CF)cnc12 ZINC000581071536 363964244 /nfs/dbraw/zinc/96/42/44/363964244.db2.gz FIQSROMPKUDWTR-LBPRGKRZSA-N 1 2 259.288 1.535 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)s1 ZINC000582495739 364093559 /nfs/dbraw/zinc/09/35/59/364093559.db2.gz RTJUOHBPEQKZRA-SECBINFHSA-N 1 2 289.364 1.823 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)s1 ZINC000582495739 364093561 /nfs/dbraw/zinc/09/35/61/364093561.db2.gz RTJUOHBPEQKZRA-SECBINFHSA-N 1 2 289.364 1.823 20 30 CDEDLO CN1CC[N@H+](C)C[C@@H]1c1noc(Cc2cccc(C#N)c2)n1 ZINC000545796878 364766481 /nfs/dbraw/zinc/76/64/81/364766481.db2.gz JWEPEKFCIXTPIX-CQSZACIVSA-N 1 2 297.362 1.450 20 30 CDEDLO CN1CC[N@@H+](C)C[C@@H]1c1noc(Cc2cccc(C#N)c2)n1 ZINC000545796878 364766487 /nfs/dbraw/zinc/76/64/87/364766487.db2.gz JWEPEKFCIXTPIX-CQSZACIVSA-N 1 2 297.362 1.450 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000249532410 364839355 /nfs/dbraw/zinc/83/93/55/364839355.db2.gz BFVORRSFOFYLAL-BXUZGUMPSA-N 1 2 287.363 1.653 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000249532410 364839360 /nfs/dbraw/zinc/83/93/60/364839360.db2.gz BFVORRSFOFYLAL-BXUZGUMPSA-N 1 2 287.363 1.653 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cccc(C)n2)nn1 ZINC000641035139 364864869 /nfs/dbraw/zinc/86/48/69/364864869.db2.gz DTDTZLWAUGMONE-UHFFFAOYSA-N 1 2 255.325 1.143 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCCOc1ccc2c(c1)OCO2 ZINC000491296820 364935915 /nfs/dbraw/zinc/93/59/15/364935915.db2.gz NJORTSMFZVMFOE-ZDUSSCGKSA-N 1 2 289.331 1.518 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCCOc1ccc2c(c1)OCO2 ZINC000491296820 364935922 /nfs/dbraw/zinc/93/59/22/364935922.db2.gz NJORTSMFZVMFOE-ZDUSSCGKSA-N 1 2 289.331 1.518 20 30 CDEDLO C#C[C@H](CC)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000491362061 365020276 /nfs/dbraw/zinc/02/02/76/365020276.db2.gz PFGNXCPNTJKANU-OAHLLOKOSA-N 1 2 286.375 1.660 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2nnc(C)s2)nn1 ZINC000641144974 365104846 /nfs/dbraw/zinc/10/48/46/365104846.db2.gz UDHIRDNCVXIBMO-VIFPVBQESA-N 1 2 276.369 1.160 20 30 CDEDLO Cc1cc(F)ccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000580270318 365259085 /nfs/dbraw/zinc/25/90/85/365259085.db2.gz HOFFCZGBDDIUAR-AWEZNQCLSA-N 1 2 263.316 1.708 20 30 CDEDLO CC[N@H+](CCCO)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000270702151 366924483 /nfs/dbraw/zinc/92/44/83/366924483.db2.gz FVYYGPMNEDBRNC-CQSZACIVSA-N 1 2 276.336 1.477 20 30 CDEDLO CC[N@@H+](CCCO)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000270702151 366924493 /nfs/dbraw/zinc/92/44/93/366924493.db2.gz FVYYGPMNEDBRNC-CQSZACIVSA-N 1 2 276.336 1.477 20 30 CDEDLO CCN(CC)c1ccc(CNC(=O)[C@@H](C)C#N)c[nH+]1 ZINC000357830126 367239170 /nfs/dbraw/zinc/23/91/70/367239170.db2.gz PCJCNMVUQVWOHI-NSHDSACASA-N 1 2 260.341 1.704 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000358783447 367900860 /nfs/dbraw/zinc/90/08/60/367900860.db2.gz CPVRUPJPKUDGNL-CYBMUJFWSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000358783447 367900865 /nfs/dbraw/zinc/90/08/65/367900865.db2.gz CPVRUPJPKUDGNL-CYBMUJFWSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CCCN(C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000276022420 193191049 /nfs/dbraw/zinc/19/10/49/193191049.db2.gz CGIPLXHKHOPXLU-ZDUSSCGKSA-N 1 2 274.368 1.878 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CSc2ccccc21 ZINC000555483165 370233726 /nfs/dbraw/zinc/23/37/26/370233726.db2.gz XHUOPUMPWVECML-SWLSCSKDSA-N 1 2 289.404 1.836 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCCC[C@@H]1C(=O)OC ZINC000371576584 370319973 /nfs/dbraw/zinc/31/99/73/370319973.db2.gz XZLKTUOTURLYAT-CQSZACIVSA-N 1 2 294.395 1.605 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCCC[C@@H]1C(=O)OC ZINC000371576584 370319979 /nfs/dbraw/zinc/31/99/79/370319979.db2.gz XZLKTUOTURLYAT-CQSZACIVSA-N 1 2 294.395 1.605 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1cc(Cl)cn1C ZINC000120267533 370289090 /nfs/dbraw/zinc/28/90/90/370289090.db2.gz XNTHLULJVBNBFM-UHFFFAOYSA-N 1 2 296.802 1.872 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120267533 370289093 /nfs/dbraw/zinc/28/90/93/370289093.db2.gz XNTHLULJVBNBFM-UHFFFAOYSA-N 1 2 296.802 1.872 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1cc(F)ccc1F ZINC000293054232 370499462 /nfs/dbraw/zinc/49/94/62/370499462.db2.gz IBPIAXJNNKKNMG-UHFFFAOYSA-N 1 2 252.264 1.858 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1cc(F)ccc1F ZINC000293054232 370499469 /nfs/dbraw/zinc/49/94/69/370499469.db2.gz IBPIAXJNNKKNMG-UHFFFAOYSA-N 1 2 252.264 1.858 20 30 CDEDLO CC(C)CCSCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000573924970 371685591 /nfs/dbraw/zinc/68/55/91/371685591.db2.gz LMLUZTIVJZKFRH-ZDUSSCGKSA-N 1 2 271.430 1.726 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000180920232 372449443 /nfs/dbraw/zinc/44/94/43/372449443.db2.gz QGDSPQRPBFMSPP-NSHDSACASA-N 1 2 291.351 1.890 20 30 CDEDLO C[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H](CO)O1 ZINC000190103306 373325605 /nfs/dbraw/zinc/32/56/05/373325605.db2.gz ZJCIQRFFOAWLLF-GXFFZTMASA-N 1 2 264.300 1.279 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H](CO)O1 ZINC000190103306 373325613 /nfs/dbraw/zinc/32/56/13/373325613.db2.gz ZJCIQRFFOAWLLF-GXFFZTMASA-N 1 2 264.300 1.279 20 30 CDEDLO N#Cc1cccc(CCNC(=O)CCc2[nH]cc[nH+]2)c1 ZINC000357660266 373926448 /nfs/dbraw/zinc/92/64/48/373926448.db2.gz YQSKHIWIFIIDOI-UHFFFAOYSA-N 1 2 268.320 1.573 20 30 CDEDLO C=CCCN(C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000342432847 374198208 /nfs/dbraw/zinc/19/82/08/374198208.db2.gz FIRQQVPLAQIYGW-STQMWFEESA-N 1 2 269.389 1.313 20 30 CDEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@H](O)[C@@H](C)C2)c(C#N)c1C ZINC000351786893 374275265 /nfs/dbraw/zinc/27/52/65/374275265.db2.gz YKEPBILGYKNQJF-UFBFGSQYSA-N 1 2 293.392 1.488 20 30 CDEDLO Cc1sc(NC(=O)C[N@H+]2C[C@H](O)[C@@H](C)C2)c(C#N)c1C ZINC000351786893 374275272 /nfs/dbraw/zinc/27/52/72/374275272.db2.gz YKEPBILGYKNQJF-UFBFGSQYSA-N 1 2 293.392 1.488 20 30 CDEDLO COc1cc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)ccc1C#N ZINC000369712262 374362679 /nfs/dbraw/zinc/36/26/79/374362679.db2.gz KXRUOPGMWUQALE-ZDUSSCGKSA-N 1 2 287.319 1.203 20 30 CDEDLO COc1cc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)ccc1C#N ZINC000369712262 374362680 /nfs/dbraw/zinc/36/26/80/374362680.db2.gz KXRUOPGMWUQALE-ZDUSSCGKSA-N 1 2 287.319 1.203 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccoc1 ZINC000342628637 374349020 /nfs/dbraw/zinc/34/90/20/374349020.db2.gz GOMCCLGXDWJARP-JTQLQIEISA-N 1 2 265.313 1.112 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccoc1 ZINC000342628637 374349024 /nfs/dbraw/zinc/34/90/24/374349024.db2.gz GOMCCLGXDWJARP-JTQLQIEISA-N 1 2 265.313 1.112 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000370349210 374390038 /nfs/dbraw/zinc/39/00/38/374390038.db2.gz PACVFCHPSKIEAI-GJZGRUSLSA-N 1 2 288.347 1.711 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000370349210 374390044 /nfs/dbraw/zinc/39/00/44/374390044.db2.gz PACVFCHPSKIEAI-GJZGRUSLSA-N 1 2 288.347 1.711 20 30 CDEDLO CCN1CCN(C(=O)C(C)(C)C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000328631251 374726719 /nfs/dbraw/zinc/72/67/19/374726719.db2.gz QRMKSGRIQVPIDU-NSHDSACASA-N 1 2 275.356 1.165 20 30 CDEDLO N#Cc1ccc(NC[C@H](O)C[NH+]2CCOCC2)cc1Cl ZINC000037886051 374771012 /nfs/dbraw/zinc/77/10/12/374771012.db2.gz PZFIRQMHLOUQLV-ZDUSSCGKSA-N 1 2 295.770 1.317 20 30 CDEDLO Cc1[nH+]c2ccccn2c1Cn1cnc(C#N)c1C#N ZINC000126487785 375003715 /nfs/dbraw/zinc/00/37/15/375003715.db2.gz KOCAGYUPQRQNEH-UHFFFAOYSA-N 1 2 262.276 1.631 20 30 CDEDLO N#Cc1csc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c1 ZINC000334167840 375112676 /nfs/dbraw/zinc/11/26/76/375112676.db2.gz ATTAREMXBCIEBP-LLVKDONJSA-N 1 2 261.350 1.426 20 30 CDEDLO N#Cc1csc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)c1 ZINC000334167840 375112681 /nfs/dbraw/zinc/11/26/81/375112681.db2.gz ATTAREMXBCIEBP-LLVKDONJSA-N 1 2 261.350 1.426 20 30 CDEDLO Cc1nsc(NC[C@@H](C)[NH+]2CCOCC2)c1C#N ZINC000283514841 375116329 /nfs/dbraw/zinc/11/63/29/375116329.db2.gz JWGLOWFLOQAQCJ-SECBINFHSA-N 1 2 266.370 1.456 20 30 CDEDLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000126365557 375124130 /nfs/dbraw/zinc/12/41/30/375124130.db2.gz DXIMHMFQGJSAJP-IUODEOHRSA-N 1 2 276.336 1.019 20 30 CDEDLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000126365557 375124136 /nfs/dbraw/zinc/12/41/36/375124136.db2.gz DXIMHMFQGJSAJP-IUODEOHRSA-N 1 2 276.336 1.019 20 30 CDEDLO N#CC1CC[NH+](Cc2nc(N)c3ccccc3n2)CC1 ZINC000057880304 375595200 /nfs/dbraw/zinc/59/52/00/375595200.db2.gz GKRWQODMAPCUBW-UHFFFAOYSA-N 1 2 267.336 1.948 20 30 CDEDLO N#Cc1ccc(NC(=O)NCCn2cc[nH+]c2)cc1F ZINC000353556910 375642704 /nfs/dbraw/zinc/64/27/04/375642704.db2.gz GRLIPYYBYHLLNY-UHFFFAOYSA-N 1 2 273.271 1.716 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(Cl)ccc2O)CC1 ZINC000049451094 375936184 /nfs/dbraw/zinc/93/61/84/375936184.db2.gz IWKLKJBVFZTSLA-UHFFFAOYSA-N 1 2 292.766 1.827 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)Nc2scnc2C2CC2)C1 ZINC000328939626 376014301 /nfs/dbraw/zinc/01/43/01/376014301.db2.gz RZZXDBXIXVUPNB-SNVBAGLBSA-N 1 2 296.396 1.677 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)Nc2scnc2C2CC2)C1 ZINC000328939626 376014311 /nfs/dbraw/zinc/01/43/11/376014311.db2.gz RZZXDBXIXVUPNB-SNVBAGLBSA-N 1 2 296.396 1.677 20 30 CDEDLO CCc1nnc([C@H](C)NC(=O)[C@@H](C)[NH+]2CCSCC2)[nH]1 ZINC000328944642 376015804 /nfs/dbraw/zinc/01/58/04/376015804.db2.gz UUCMDUSNBLKAKQ-VHSXEESVSA-N 1 2 297.428 1.822 20 30 CDEDLO CCC(CC)C[N@@H+](CCC#N)CCNS(C)(=O)=O ZINC000072692860 376804847 /nfs/dbraw/zinc/80/48/47/376804847.db2.gz ZSRWKRGTYIKYIM-UHFFFAOYSA-N 1 2 275.418 1.187 20 30 CDEDLO CCC(CC)C[N@H+](CCC#N)CCNS(C)(=O)=O ZINC000072692860 376804858 /nfs/dbraw/zinc/80/48/58/376804858.db2.gz ZSRWKRGTYIKYIM-UHFFFAOYSA-N 1 2 275.418 1.187 20 30 CDEDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000171999988 377219497 /nfs/dbraw/zinc/21/94/97/377219497.db2.gz TYNVFYHYALSXRU-LBPRGKRZSA-N 1 2 280.393 1.813 20 30 CDEDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000171999988 377219503 /nfs/dbraw/zinc/21/95/03/377219503.db2.gz TYNVFYHYALSXRU-LBPRGKRZSA-N 1 2 280.393 1.813 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000076186004 377466691 /nfs/dbraw/zinc/46/66/91/377466691.db2.gz AOMUSVFQAHAPRP-CVEARBPZSA-N 1 2 272.392 1.736 20 30 CDEDLO C=CC[N@@H+](CCOC)CC(=O)c1cc(C)n(C)c1C ZINC000571828538 377551042 /nfs/dbraw/zinc/55/10/42/377551042.db2.gz JSCVAZFWJXCZAD-UHFFFAOYSA-N 1 2 264.369 1.959 20 30 CDEDLO C=CC[N@H+](CCOC)CC(=O)c1cc(C)n(C)c1C ZINC000571828538 377551050 /nfs/dbraw/zinc/55/10/50/377551050.db2.gz JSCVAZFWJXCZAD-UHFFFAOYSA-N 1 2 264.369 1.959 20 30 CDEDLO CN1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2F)C1=O ZINC000265648247 190196424 /nfs/dbraw/zinc/19/64/24/190196424.db2.gz NBRVWHRSKYDEID-CYBMUJFWSA-N 1 2 261.300 1.360 20 30 CDEDLO CN1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1=O ZINC000265648247 190196425 /nfs/dbraw/zinc/19/64/25/190196425.db2.gz NBRVWHRSKYDEID-CYBMUJFWSA-N 1 2 261.300 1.360 20 30 CDEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000265666310 190198812 /nfs/dbraw/zinc/19/88/12/190198812.db2.gz YLQWZHSWTRHGRQ-IZDJOXEWSA-N 1 2 292.404 1.778 20 30 CDEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000265666310 190198813 /nfs/dbraw/zinc/19/88/13/190198813.db2.gz YLQWZHSWTRHGRQ-IZDJOXEWSA-N 1 2 292.404 1.778 20 30 CDEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000632659572 377716717 /nfs/dbraw/zinc/71/67/17/377716717.db2.gz KAHNPNORDZOTBL-GFCCVEGCSA-N 1 2 290.367 1.183 20 30 CDEDLO Cc1ccccc1CCNC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057906630 377862596 /nfs/dbraw/zinc/86/25/96/377862596.db2.gz WGILYCDHMJEHKB-UHFFFAOYSA-N 1 2 285.391 1.889 20 30 CDEDLO COCc1cccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000572309483 377869317 /nfs/dbraw/zinc/86/93/17/377869317.db2.gz HKAOHFAUPGRJKC-HNNXBMFYSA-N 1 2 275.352 1.407 20 30 CDEDLO CC(C)(CCC#N)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000563814831 378184721 /nfs/dbraw/zinc/18/47/21/378184721.db2.gz XEPIZYVHPDWXQE-LBPRGKRZSA-N 1 2 274.368 1.892 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000192238332 378178180 /nfs/dbraw/zinc/17/81/80/378178180.db2.gz LCAKUCMCIPFYGE-HNNXBMFYSA-N 1 2 285.391 1.194 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000192238332 378178183 /nfs/dbraw/zinc/17/81/83/378178183.db2.gz LCAKUCMCIPFYGE-HNNXBMFYSA-N 1 2 285.391 1.194 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000192232593 378180111 /nfs/dbraw/zinc/18/01/11/378180111.db2.gz HBMCMEYRBFEOLK-LLVKDONJSA-N 1 2 274.320 1.350 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000192232593 378180116 /nfs/dbraw/zinc/18/01/16/378180116.db2.gz HBMCMEYRBFEOLK-LLVKDONJSA-N 1 2 274.320 1.350 20 30 CDEDLO CC#CC[N@H+](C)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000293277171 378552515 /nfs/dbraw/zinc/55/25/15/378552515.db2.gz VFFCLTSPJAUWIP-UHFFFAOYSA-N 1 2 285.303 1.920 20 30 CDEDLO CC#CC[N@@H+](C)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000293277171 378552522 /nfs/dbraw/zinc/55/25/22/378552522.db2.gz VFFCLTSPJAUWIP-UHFFFAOYSA-N 1 2 285.303 1.920 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2csc(C(C)=O)c2)CC1 ZINC000293309987 378555101 /nfs/dbraw/zinc/55/51/01/378555101.db2.gz FISHGORKICIWFP-UHFFFAOYSA-N 1 2 290.388 1.732 20 30 CDEDLO C#CCO[C@H](C)C(=O)Oc1ccc2c(c1)[nH+]c(C)n2C ZINC000295952096 378703456 /nfs/dbraw/zinc/70/34/56/378703456.db2.gz BCBKLOYOWOLYEC-SNVBAGLBSA-N 1 2 272.304 1.825 20 30 CDEDLO O=C1OCC[C@@]12CCC[N@H+]2CC#Cc1ccc(F)cc1 ZINC000186619992 378846523 /nfs/dbraw/zinc/84/65/23/378846523.db2.gz WLCIDPKOWGHJEL-INIZCTEOSA-N 1 2 273.307 1.959 20 30 CDEDLO O=C1OCC[C@@]12CCC[N@@H+]2CC#Cc1ccc(F)cc1 ZINC000186619992 378846528 /nfs/dbraw/zinc/84/65/28/378846528.db2.gz WLCIDPKOWGHJEL-INIZCTEOSA-N 1 2 273.307 1.959 20 30 CDEDLO OC[C@@H]1CSCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000343721012 378946094 /nfs/dbraw/zinc/94/60/94/378946094.db2.gz BZJHGEVDDQMFMO-CQSZACIVSA-N 1 2 265.353 1.587 20 30 CDEDLO OC[C@@H]1CSCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000343721012 378946099 /nfs/dbraw/zinc/94/60/99/378946099.db2.gz BZJHGEVDDQMFMO-CQSZACIVSA-N 1 2 265.353 1.587 20 30 CDEDLO C[C@]1([NH2+]CCOc2cccc(C#N)c2)CCOC1=O ZINC000289453656 197354606 /nfs/dbraw/zinc/35/46/06/197354606.db2.gz FVPRVPHBSMJIFB-AWEZNQCLSA-N 1 2 260.293 1.232 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000662165889 412913632 /nfs/dbraw/zinc/91/36/32/412913632.db2.gz UWQFEGQCXVCJLE-SNVBAGLBSA-N 1 2 289.291 1.102 20 30 CDEDLO Cc1nc(C)c(C#N)c(SCc2c[nH+]cn2C)n1 ZINC000267189475 190309958 /nfs/dbraw/zinc/30/99/58/190309958.db2.gz ZPIDQYTWPHRZCX-UHFFFAOYSA-N 1 2 259.338 1.991 20 30 CDEDLO C=CCSCCNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000268087293 190375776 /nfs/dbraw/zinc/37/57/76/190375776.db2.gz XQGDMIOCBWPDLU-UHFFFAOYSA-N 1 2 293.392 1.672 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000280486283 194857268 /nfs/dbraw/zinc/85/72/68/194857268.db2.gz BDHYYHIVWQHJCL-CHWSQXEVSA-N 1 2 278.356 1.164 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000346259610 285037077 /nfs/dbraw/zinc/03/70/77/285037077.db2.gz WXNIBVTZOMLAQB-GFCCVEGCSA-N 1 2 267.373 1.105 20 30 CDEDLO CN(C)[C@H](C(=O)NCc1ccc(C#N)cc1)c1c[nH+]cn1C ZINC000281044668 195081810 /nfs/dbraw/zinc/08/18/10/195081810.db2.gz WUSLVXOGVVTIJH-HNNXBMFYSA-N 1 2 297.362 1.211 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)/C=C/c2cccc(C#N)c2)CCO1 ZINC000492891179 253319269 /nfs/dbraw/zinc/31/92/69/253319269.db2.gz FPHMJWQCSUGCGY-GJBLVYBDSA-N 1 2 299.374 1.408 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)/C=C/c2cccc(C#N)c2)CCO1 ZINC000492891179 253319271 /nfs/dbraw/zinc/31/92/71/253319271.db2.gz FPHMJWQCSUGCGY-GJBLVYBDSA-N 1 2 299.374 1.408 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000187016008 390168481 /nfs/dbraw/zinc/16/84/81/390168481.db2.gz IHSCTTFETGXTHQ-LBPRGKRZSA-N 1 2 257.337 1.529 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000187016008 390168483 /nfs/dbraw/zinc/16/84/83/390168483.db2.gz IHSCTTFETGXTHQ-LBPRGKRZSA-N 1 2 257.337 1.529 20 30 CDEDLO C[N@@H+]1CCc2ncnc(NCc3ccc(C#N)c(F)c3)c2C1 ZINC000450911517 390575881 /nfs/dbraw/zinc/57/58/81/390575881.db2.gz RLOZHSIEQCKXBV-UHFFFAOYSA-N 1 2 297.337 1.509 20 30 CDEDLO C[N@H+]1CCc2ncnc(NCc3ccc(C#N)c(F)c3)c2C1 ZINC000450911517 390575885 /nfs/dbraw/zinc/57/58/85/390575885.db2.gz RLOZHSIEQCKXBV-UHFFFAOYSA-N 1 2 297.337 1.509 20 30 CDEDLO C[C@H](CNC(=O)c1ccc(C#N)c(O)c1)Cn1cc[nH+]c1 ZINC000188693061 390665788 /nfs/dbraw/zinc/66/57/88/390665788.db2.gz LIZQGGIEIBDTSH-LLVKDONJSA-N 1 2 284.319 1.526 20 30 CDEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1ccccn1 ZINC000120268176 390867282 /nfs/dbraw/zinc/86/72/82/390867282.db2.gz UTHZORXFONEYMS-NSHDSACASA-N 1 2 251.330 1.932 20 30 CDEDLO N#CCC[N@H+]1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000375793081 390819506 /nfs/dbraw/zinc/81/95/06/390819506.db2.gz SAESACCNHFTADX-QWHCGFSZSA-N 1 2 281.356 1.270 20 30 CDEDLO N#CCC[N@@H+]1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000375793081 390819509 /nfs/dbraw/zinc/81/95/09/390819509.db2.gz SAESACCNHFTADX-QWHCGFSZSA-N 1 2 281.356 1.270 20 30 CDEDLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135180590 390939846 /nfs/dbraw/zinc/93/98/46/390939846.db2.gz KLHUNMREVGFXOF-LBPRGKRZSA-N 1 2 271.364 1.808 20 30 CDEDLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135180590 390939847 /nfs/dbraw/zinc/93/98/47/390939847.db2.gz KLHUNMREVGFXOF-LBPRGKRZSA-N 1 2 271.364 1.808 20 30 CDEDLO NC(CCO)=[NH+]OCc1ccc(Br)cc1F ZINC000136071694 390941019 /nfs/dbraw/zinc/94/10/19/390941019.db2.gz LQZSUSAXPPZSJK-UHFFFAOYSA-N 1 2 291.120 1.759 20 30 CDEDLO CC[NH+]1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000188207511 390951423 /nfs/dbraw/zinc/95/14/23/390951423.db2.gz OXNCSBMPYKIOHI-UHFFFAOYSA-N 1 2 259.309 1.042 20 30 CDEDLO C[C@@H](O[NH+]=C(N)CCO)C(=O)Nc1cccc(Cl)c1 ZINC000121334689 390884087 /nfs/dbraw/zinc/88/40/87/390884087.db2.gz UZPJKKSNONLYBT-MRVPVSSYSA-N 1 2 285.731 1.338 20 30 CDEDLO C#CCC[NH+]1CCN(Cc2n[nH]c(C(C)C)n2)CC1 ZINC000293039527 391022877 /nfs/dbraw/zinc/02/28/77/391022877.db2.gz DXQWLMQORXFNBF-UHFFFAOYSA-N 1 2 261.373 1.069 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)NCC2(C)CCCCC2)C1 ZINC000329544355 391010408 /nfs/dbraw/zinc/01/04/08/391010408.db2.gz FYFFAYAAICKIST-ZDUSSCGKSA-N 1 2 283.416 1.791 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNC(=O)NCC2(C)CCCCC2)C1 ZINC000329544355 391010410 /nfs/dbraw/zinc/01/04/10/391010410.db2.gz FYFFAYAAICKIST-ZDUSSCGKSA-N 1 2 283.416 1.791 20 30 CDEDLO Cn1cccc1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000439580639 391085819 /nfs/dbraw/zinc/08/58/19/391085819.db2.gz KRNCGHQZKUIWFI-CQSZACIVSA-N 1 2 268.320 1.213 20 30 CDEDLO CCc1noc([C@@H](C)O[NH+]=C(N)Cc2csc(C)n2)n1 ZINC000174113817 391116564 /nfs/dbraw/zinc/11/65/64/391116564.db2.gz CDKRMUVTDGGXHN-SSDOTTSWSA-N 1 2 295.368 1.989 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000373494953 391121233 /nfs/dbraw/zinc/12/12/33/391121233.db2.gz DLGQSPXIYJWHGG-HOCLYGCPSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000373494953 391121236 /nfs/dbraw/zinc/12/12/36/391121236.db2.gz DLGQSPXIYJWHGG-HOCLYGCPSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(Cl)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000373718720 391129152 /nfs/dbraw/zinc/12/91/52/391129152.db2.gz HHYYJPZNXWCBAR-LBPRGKRZSA-N 1 2 272.776 1.499 20 30 CDEDLO C=C(Cl)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000373718720 391129154 /nfs/dbraw/zinc/12/91/54/391129154.db2.gz HHYYJPZNXWCBAR-LBPRGKRZSA-N 1 2 272.776 1.499 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000352434521 391136482 /nfs/dbraw/zinc/13/64/82/391136482.db2.gz XDFYBIZPZKVQMS-DZGCQCFKSA-N 1 2 284.400 1.052 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000352434521 391136485 /nfs/dbraw/zinc/13/64/85/391136485.db2.gz XDFYBIZPZKVQMS-DZGCQCFKSA-N 1 2 284.400 1.052 20 30 CDEDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)CCCC#N)C1 ZINC000374350842 391160125 /nfs/dbraw/zinc/16/01/25/391160125.db2.gz KZSSGOFAAANQES-CQSZACIVSA-N 1 2 293.392 1.396 20 30 CDEDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)CCCC#N)C1 ZINC000374350842 391160128 /nfs/dbraw/zinc/16/01/28/391160128.db2.gz KZSSGOFAAANQES-CQSZACIVSA-N 1 2 293.392 1.396 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000268572382 391219290 /nfs/dbraw/zinc/21/92/90/391219290.db2.gz RMCXZIHDDMDTRL-STQMWFEESA-N 1 2 287.363 1.999 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000268572382 391219293 /nfs/dbraw/zinc/21/92/93/391219293.db2.gz RMCXZIHDDMDTRL-STQMWFEESA-N 1 2 287.363 1.999 20 30 CDEDLO N#C[C@H]1N(Cc2c[nH+]c[nH]2)CCC[C@@]12CCCCO2 ZINC000366149984 391225691 /nfs/dbraw/zinc/22/56/91/391225691.db2.gz ADPMWJGHFUVZLG-KGLIPLIRSA-N 1 2 260.341 1.837 20 30 CDEDLO N#C[C@H]1N(Cc2c[nH]c[nH+]2)CCC[C@@]12CCCCO2 ZINC000366149984 391225694 /nfs/dbraw/zinc/22/56/94/391225694.db2.gz ADPMWJGHFUVZLG-KGLIPLIRSA-N 1 2 260.341 1.837 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182003210 391228812 /nfs/dbraw/zinc/22/88/12/391228812.db2.gz VNZOOZTZKQQJBM-NEPJUHHUSA-N 1 2 293.323 1.568 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182003210 391228814 /nfs/dbraw/zinc/22/88/14/391228814.db2.gz VNZOOZTZKQQJBM-NEPJUHHUSA-N 1 2 293.323 1.568 20 30 CDEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC1(C#N)CCC1 ZINC000416354208 391288893 /nfs/dbraw/zinc/28/88/93/391288893.db2.gz NOUWOSJGGPVBQO-ZIAGYGMSSA-N 1 2 298.390 1.964 20 30 CDEDLO Fc1ccc(C#CCN2CCc3[nH+]c[nH]c3C2)cc1 ZINC000647933265 391358828 /nfs/dbraw/zinc/35/88/28/391358828.db2.gz IAVYXPUTCGPAFG-UHFFFAOYSA-N 1 2 255.296 1.959 20 30 CDEDLO CCOC(=O)[C@@H]([NH2+]CCC(C)(C)C#N)[C@@H]1CCCOC1 ZINC000346955615 391379010 /nfs/dbraw/zinc/37/90/10/391379010.db2.gz HHZDCFVWRXNNCE-OLZOCXBDSA-N 1 2 282.384 1.874 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H]1COCCN1C)CCC2 ZINC000328929890 391395538 /nfs/dbraw/zinc/39/55/38/391395538.db2.gz AMKWHYFAFFKVOK-QWHCGFSZSA-N 1 2 292.383 1.356 20 30 CDEDLO Cc1ocnc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330615991 391459198 /nfs/dbraw/zinc/45/91/98/391459198.db2.gz DAZYHQKVXZPSOX-SECBINFHSA-N 1 2 253.302 1.008 20 30 CDEDLO Cc1ocnc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330615991 391459200 /nfs/dbraw/zinc/45/92/00/391459200.db2.gz DAZYHQKVXZPSOX-SECBINFHSA-N 1 2 253.302 1.008 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N[C@H](C#N)c1ccccc1F ZINC000355602772 391460063 /nfs/dbraw/zinc/46/00/63/391460063.db2.gz DHYSPYBUATXJAL-CQSZACIVSA-N 1 2 286.310 1.873 20 30 CDEDLO C[C@@H](C#N)CN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000366284758 391509077 /nfs/dbraw/zinc/50/90/77/391509077.db2.gz OUPDDEUOHWHQIG-JSGCOSHPSA-N 1 2 279.384 1.248 20 30 CDEDLO C[C@@H](C#N)CN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000366284758 391509081 /nfs/dbraw/zinc/50/90/81/391509081.db2.gz OUPDDEUOHWHQIG-JSGCOSHPSA-N 1 2 279.384 1.248 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccnn2CC(C)C)C1=O ZINC000648030584 391639438 /nfs/dbraw/zinc/63/94/38/391639438.db2.gz GXUCZFIXWWWEFE-OAHLLOKOSA-N 1 2 290.411 1.758 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccnn2CC(C)C)C1=O ZINC000648030584 391639440 /nfs/dbraw/zinc/63/94/40/391639440.db2.gz GXUCZFIXWWWEFE-OAHLLOKOSA-N 1 2 290.411 1.758 20 30 CDEDLO C=CCCC[C@H](C)N1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O ZINC000359195072 391581229 /nfs/dbraw/zinc/58/12/29/391581229.db2.gz ROXLXFMUHDKWGM-CMPLNLGQSA-N 1 2 276.340 1.617 20 30 CDEDLO C=CCCC[C@H](C)N1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O ZINC000359195072 391581232 /nfs/dbraw/zinc/58/12/32/391581232.db2.gz ROXLXFMUHDKWGM-CMPLNLGQSA-N 1 2 276.340 1.617 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000360636260 391666889 /nfs/dbraw/zinc/66/68/89/391666889.db2.gz TXFMMRSQQCKEFT-OAHLLOKOSA-N 1 2 292.354 1.801 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000360636260 391666894 /nfs/dbraw/zinc/66/68/94/391666894.db2.gz TXFMMRSQQCKEFT-OAHLLOKOSA-N 1 2 292.354 1.801 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1cc(C)nn1C)Cc1ccccc1 ZINC000285885920 391718355 /nfs/dbraw/zinc/71/83/55/391718355.db2.gz YXWUDGDTYDOUJZ-UHFFFAOYSA-N 1 2 296.374 1.802 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1cc(C)nn1C)Cc1ccccc1 ZINC000285885920 391718358 /nfs/dbraw/zinc/71/83/58/391718358.db2.gz YXWUDGDTYDOUJZ-UHFFFAOYSA-N 1 2 296.374 1.802 20 30 CDEDLO CCO[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccccc1 ZINC000519645770 391679885 /nfs/dbraw/zinc/67/98/85/391679885.db2.gz GDCRWACOUVEZEG-GDBMZVCRSA-N 1 2 289.379 1.724 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H](C)C1CCOCC1)C(=O)OC ZINC000361109417 391682736 /nfs/dbraw/zinc/68/27/36/391682736.db2.gz DXYMBGVMJAFHCZ-YPMHNXCESA-N 1 2 271.357 1.135 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H]1CCC[C@H](C)C1)C(=O)OC ZINC000361112013 391683063 /nfs/dbraw/zinc/68/30/63/391683063.db2.gz WEJTVMLPJVAGBY-XQQFMLRXSA-N 1 2 255.358 1.899 20 30 CDEDLO O=C(N[C@@H]1CCc2cn[nH]c2C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330232733 391814828 /nfs/dbraw/zinc/81/48/28/391814828.db2.gz RTPSAHRCSUTBSR-BXUZGUMPSA-N 1 2 274.368 1.850 20 30 CDEDLO O=C(N[C@@H]1CCc2cn[nH]c2C1)[C@H]1CCC[N@H+]1C1CC1 ZINC000330232733 391814831 /nfs/dbraw/zinc/81/48/31/391814831.db2.gz RTPSAHRCSUTBSR-BXUZGUMPSA-N 1 2 274.368 1.850 20 30 CDEDLO N#Cc1cc(F)ccc1C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000495028452 391904151 /nfs/dbraw/zinc/90/41/51/391904151.db2.gz FXBVBBQOHOUQIB-UHFFFAOYSA-N 1 2 289.310 1.772 20 30 CDEDLO C[C@H]1[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CCOC1(C)C ZINC000408322565 391919931 /nfs/dbraw/zinc/91/99/31/391919931.db2.gz VCNHWFGDXKVZQG-ABAIWWIYSA-N 1 2 279.384 1.294 20 30 CDEDLO C[C@H]1[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CCOC1(C)C ZINC000408322565 391919940 /nfs/dbraw/zinc/91/99/40/391919940.db2.gz VCNHWFGDXKVZQG-ABAIWWIYSA-N 1 2 279.384 1.294 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000334185242 392027251 /nfs/dbraw/zinc/02/72/51/392027251.db2.gz GGDVQOLYMNECPS-GXFFZTMASA-N 1 2 277.755 1.973 20 30 CDEDLO C=CCCS(=O)(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645895784 392495904 /nfs/dbraw/zinc/49/59/04/392495904.db2.gz MGJOSQUSWBSGPC-UHFFFAOYSA-N 1 2 293.392 1.681 20 30 CDEDLO CC[C@@]1(O)CC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000425931762 393033250 /nfs/dbraw/zinc/03/32/50/393033250.db2.gz MQTIUYQWRHTYQU-OAHLLOKOSA-N 1 2 291.351 1.553 20 30 CDEDLO CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000425931762 393033251 /nfs/dbraw/zinc/03/32/51/393033251.db2.gz MQTIUYQWRHTYQU-OAHLLOKOSA-N 1 2 291.351 1.553 20 30 CDEDLO N#Cc1cccc(C2(C(=O)N3CC(n4cc[nH+]c4)C3)CC2)c1 ZINC000533259221 393080575 /nfs/dbraw/zinc/08/05/75/393080575.db2.gz ZDFQZZLMIQDVHA-UHFFFAOYSA-N 1 2 292.342 1.870 20 30 CDEDLO C[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)C[C@@H](CO)O1 ZINC000229962563 140204200 /nfs/dbraw/zinc/20/42/00/140204200.db2.gz BKEHJSXJINAVJA-DOMZBBRYSA-N 1 2 276.336 1.019 20 30 CDEDLO C[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)C[C@@H](CO)O1 ZINC000229962563 140204202 /nfs/dbraw/zinc/20/42/02/140204202.db2.gz BKEHJSXJINAVJA-DOMZBBRYSA-N 1 2 276.336 1.019 20 30 CDEDLO C=CCCNc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000664226910 413160695 /nfs/dbraw/zinc/16/06/95/413160695.db2.gz TYLJEFJWTPFDGI-NWDGAFQWSA-N 1 2 262.357 1.672 20 30 CDEDLO C=CCCNc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000664226910 413160708 /nfs/dbraw/zinc/16/07/08/413160708.db2.gz TYLJEFJWTPFDGI-NWDGAFQWSA-N 1 2 262.357 1.672 20 30 CDEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000335838047 151063068 /nfs/dbraw/zinc/06/30/68/151063068.db2.gz SUXIURVQLHIEPQ-BXUZGUMPSA-N 1 2 273.311 1.408 20 30 CDEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000335838047 151063070 /nfs/dbraw/zinc/06/30/70/151063070.db2.gz SUXIURVQLHIEPQ-BXUZGUMPSA-N 1 2 273.311 1.408 20 30 CDEDLO C[C@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H](C)S1=O ZINC000336088553 151258671 /nfs/dbraw/zinc/25/86/71/151258671.db2.gz MUIDYJYOXYNQGY-RYUDHWBXSA-N 1 2 262.378 1.900 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)NCc1cccc(C#N)c1 ZINC000346133952 153065057 /nfs/dbraw/zinc/06/50/57/153065057.db2.gz CGHSPOJRFZBYTM-UHFFFAOYSA-N 1 2 254.293 1.449 20 30 CDEDLO Cc1[nH]c[nH+]c1CC(=O)NCc1cccc(C#N)c1 ZINC000346133952 153065060 /nfs/dbraw/zinc/06/50/60/153065060.db2.gz CGHSPOJRFZBYTM-UHFFFAOYSA-N 1 2 254.293 1.449 20 30 CDEDLO COC(C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)OC ZINC000372903608 160157287 /nfs/dbraw/zinc/15/72/87/160157287.db2.gz ZXQAYWCSKPBAJM-CQSZACIVSA-N 1 2 276.336 1.550 20 30 CDEDLO COC(C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)OC ZINC000372903608 160157288 /nfs/dbraw/zinc/15/72/88/160157288.db2.gz ZXQAYWCSKPBAJM-CQSZACIVSA-N 1 2 276.336 1.550 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000022134673 171355162 /nfs/dbraw/zinc/35/51/62/171355162.db2.gz ANYMBZARVLNDBP-AWEZNQCLSA-N 1 2 275.327 1.750 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000022134673 171355163 /nfs/dbraw/zinc/35/51/63/171355163.db2.gz ANYMBZARVLNDBP-AWEZNQCLSA-N 1 2 275.327 1.750 20 30 CDEDLO C=CC[N@H+](Cc1cc(=O)n2[nH]ccc2n1)[C@@H](C)COC ZINC000661241790 413912485 /nfs/dbraw/zinc/91/24/85/413912485.db2.gz GYILPBZOWCXVGI-NSHDSACASA-N 1 2 276.340 1.046 20 30 CDEDLO C=CC[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)[C@@H](C)COC ZINC000661241790 413912491 /nfs/dbraw/zinc/91/24/91/413912491.db2.gz GYILPBZOWCXVGI-NSHDSACASA-N 1 2 276.340 1.046 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)nn1 ZINC000657383349 414260228 /nfs/dbraw/zinc/26/02/28/414260228.db2.gz NFAIQYVFOOVSAH-GFCCVEGCSA-N 1 2 291.399 1.343 20 30 CDEDLO COCC[C@](C)(C#N)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000344947015 225211488 /nfs/dbraw/zinc/21/14/88/225211488.db2.gz RRYQPLARIBYPAO-CQSZACIVSA-N 1 2 272.308 1.383 20 30 CDEDLO COCC1(C#N)CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000347302489 226101098 /nfs/dbraw/zinc/10/10/98/226101098.db2.gz QOUNWUVOJAARAD-UHFFFAOYSA-N 1 2 298.346 1.727 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000575165714 335074330 /nfs/dbraw/zinc/07/43/30/335074330.db2.gz FNSNEOFGXMYERS-RISCZKNCSA-N 1 2 263.341 1.060 20 30 CDEDLO CCn1ncnc1CNC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000330045634 227022075 /nfs/dbraw/zinc/02/20/75/227022075.db2.gz GMJHVNGJKDGPML-JTQLQIEISA-N 1 2 283.401 1.192 20 30 CDEDLO O=C(NCC[C@@H]1CCCCO1)N1CCn2cc[nH+]c2C1 ZINC000329269657 227396694 /nfs/dbraw/zinc/39/66/94/227396694.db2.gz FFPRADWFSZYAGY-LBPRGKRZSA-N 1 2 278.356 1.572 20 30 CDEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CCC[C@H]1CCO ZINC000330275646 228088544 /nfs/dbraw/zinc/08/85/44/228088544.db2.gz LUJGCVFGCRCDDU-OLZOCXBDSA-N 1 2 292.383 1.521 20 30 CDEDLO C=CCOc1ccccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000088759346 260234348 /nfs/dbraw/zinc/23/43/48/260234348.db2.gz UYNRNDYWJGJIRA-UHFFFAOYSA-N 1 2 257.293 1.905 20 30 CDEDLO C=CCOc1ccccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000088759346 260234350 /nfs/dbraw/zinc/23/43/50/260234350.db2.gz UYNRNDYWJGJIRA-UHFFFAOYSA-N 1 2 257.293 1.905 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCc2nnnn2C2CC2)ccc1F ZINC000063457633 260240085 /nfs/dbraw/zinc/24/00/85/260240085.db2.gz KVWJGKSOUSJGJN-UHFFFAOYSA-N 1 2 290.302 1.293 20 30 CDEDLO CCc1nnc(CO[NH+]=C(N)[C@H](C)OCC(C)C)o1 ZINC000160912562 261230755 /nfs/dbraw/zinc/23/07/55/261230755.db2.gz YKTMUCHEKNPOSF-VIFPVBQESA-N 1 2 270.333 1.482 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)NCC1CCCCC1 ZINC000491267376 261394610 /nfs/dbraw/zinc/39/46/10/261394610.db2.gz SNLCSSBBIKOHNW-HNNXBMFYSA-N 1 2 278.396 1.407 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)NCC1CCCCC1 ZINC000491267376 261394612 /nfs/dbraw/zinc/39/46/12/261394612.db2.gz SNLCSSBBIKOHNW-HNNXBMFYSA-N 1 2 278.396 1.407 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000491277649 261398785 /nfs/dbraw/zinc/39/87/85/261398785.db2.gz PLDPWMBDOUNHFM-AVGNSLFASA-N 1 2 264.369 1.313 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000491277649 261398788 /nfs/dbraw/zinc/39/87/88/261398788.db2.gz PLDPWMBDOUNHFM-AVGNSLFASA-N 1 2 264.369 1.313 20 30 CDEDLO CCCCCCCS(=O)(=O)NCCn1cc[nH+]c1 ZINC000195054119 262245024 /nfs/dbraw/zinc/24/50/24/262245024.db2.gz AKZKTSXRMMNFNQ-UHFFFAOYSA-N 1 2 273.402 1.773 20 30 CDEDLO O=C1CN(CC/[NH+]=C/c2c(O)ccc3ccccc32)CCN1 ZINC000272637377 263007911 /nfs/dbraw/zinc/00/79/11/263007911.db2.gz MZYHCDAGMNCOAA-WOJGMQOQSA-N 1 2 297.358 1.396 20 30 CDEDLO Cc1ccc(-c2cnc(CO[NH+]=C(N)CCO)o2)cc1 ZINC000275448189 263033479 /nfs/dbraw/zinc/03/34/79/263033479.db2.gz IMDJHXCSISFLIX-UHFFFAOYSA-N 1 2 275.308 1.821 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000425863867 263051781 /nfs/dbraw/zinc/05/17/81/263051781.db2.gz OQVYMJJARBDNMA-BFHYXJOUSA-N 1 2 294.399 1.089 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000425863867 263051782 /nfs/dbraw/zinc/05/17/82/263051782.db2.gz OQVYMJJARBDNMA-BFHYXJOUSA-N 1 2 294.399 1.089 20 30 CDEDLO COC(=O)c1cc(CO[NH+]=C(N)[C@H]2CCCO2)oc1C ZINC000284552256 263087321 /nfs/dbraw/zinc/08/73/21/263087321.db2.gz VYJGJJSCLPXRTI-LLVKDONJSA-N 1 2 282.296 1.342 20 30 CDEDLO COc1cccc(C(N)=[NH+]OCCOC2CCC2)c1 ZINC000288624065 263105338 /nfs/dbraw/zinc/10/53/38/263105338.db2.gz ORQVQUKOPOOZLV-UHFFFAOYSA-N 1 2 264.325 1.901 20 30 CDEDLO CC(C)OCc1nc([C@@H](C)[NH2+]CCCC#N)no1 ZINC000290079350 263114557 /nfs/dbraw/zinc/11/45/57/263114557.db2.gz YWRGREUSXRIROI-SNVBAGLBSA-N 1 2 252.318 1.949 20 30 CDEDLO C=CC[N@H+](CCC#N)CCN1C(=O)NC2(CCCC2)C1=O ZINC000292121985 263128638 /nfs/dbraw/zinc/12/86/38/263128638.db2.gz ICRGXBMGSZJKBU-UHFFFAOYSA-N 1 2 290.367 1.253 20 30 CDEDLO C=CC[N@@H+](CCC#N)CCN1C(=O)NC2(CCCC2)C1=O ZINC000292121985 263128639 /nfs/dbraw/zinc/12/86/39/263128639.db2.gz ICRGXBMGSZJKBU-UHFFFAOYSA-N 1 2 290.367 1.253 20 30 CDEDLO C=CCN(CCC#N)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000293800961 263149622 /nfs/dbraw/zinc/14/96/22/263149622.db2.gz PFIVAKPOCRFGMP-UHFFFAOYSA-N 1 2 285.338 1.892 20 30 CDEDLO CCOC(=O)CCC/[NH+]=C/c1cccc(O)c1O ZINC000299268773 263236926 /nfs/dbraw/zinc/23/69/26/263236926.db2.gz LJPBWKIVKLCCGE-NTEUORMPSA-N 1 2 251.282 1.860 20 30 CDEDLO C=CC[N@@H+](C)[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000121628379 263296936 /nfs/dbraw/zinc/29/69/36/263296936.db2.gz KYJIMEGPHGTGGM-LLVKDONJSA-N 1 2 273.336 1.478 20 30 CDEDLO C=CC[N@H+](C)[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000121628379 263296937 /nfs/dbraw/zinc/29/69/37/263296937.db2.gz KYJIMEGPHGTGGM-LLVKDONJSA-N 1 2 273.336 1.478 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2nnc(C)n2C2CC2)CC1 ZINC000341979440 263370181 /nfs/dbraw/zinc/37/01/81/263370181.db2.gz OUXCFKBPZUAFOH-UHFFFAOYSA-N 1 2 289.383 1.674 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)N[C@H](C)CCO)cc2n1C ZINC000331084476 264118141 /nfs/dbraw/zinc/11/81/41/264118141.db2.gz ZHZWVPXMIRKRBI-SECBINFHSA-N 1 2 261.325 1.957 20 30 CDEDLO Cc1cc[nH]c1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000331243818 264177914 /nfs/dbraw/zinc/17/79/14/264177914.db2.gz ZGQYWGGQVJGNHZ-NSHDSACASA-N 1 2 251.330 1.348 20 30 CDEDLO Cc1cc[nH]c1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000331243818 264177916 /nfs/dbraw/zinc/17/79/16/264177916.db2.gz ZGQYWGGQVJGNHZ-NSHDSACASA-N 1 2 251.330 1.348 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCCN(C(=O)CC)CC2)nn1 ZINC000653503825 424220699 /nfs/dbraw/zinc/22/06/99/424220699.db2.gz XOVHFQUOGGIJLO-UHFFFAOYSA-N 1 2 291.399 1.299 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCCN(C(=O)CC)CC2)nn1 ZINC000653503825 424220710 /nfs/dbraw/zinc/22/07/10/424220710.db2.gz XOVHFQUOGGIJLO-UHFFFAOYSA-N 1 2 291.399 1.299 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000652564489 424539281 /nfs/dbraw/zinc/53/92/81/424539281.db2.gz UWGALLGGUVFAQR-GFCCVEGCSA-N 1 2 274.324 1.783 20 30 CDEDLO C=CCCC1(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000356392472 266106544 /nfs/dbraw/zinc/10/65/44/266106544.db2.gz KYTYQPMEBJKGAI-QWHCGFSZSA-N 1 2 264.369 1.274 20 30 CDEDLO C=CCCC1(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000356392472 266106546 /nfs/dbraw/zinc/10/65/46/266106546.db2.gz KYTYQPMEBJKGAI-QWHCGFSZSA-N 1 2 264.369 1.274 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1C ZINC000356751571 266168614 /nfs/dbraw/zinc/16/86/14/266168614.db2.gz LXJIBCLWODQYNR-VNHYZAJKSA-N 1 2 279.384 1.248 20 30 CDEDLO C=CCCN(C)C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000357007379 266232330 /nfs/dbraw/zinc/23/23/30/266232330.db2.gz FSACUBQANVLROU-AWEZNQCLSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CCCN(C)C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000357007379 266232334 /nfs/dbraw/zinc/23/23/34/266232334.db2.gz FSACUBQANVLROU-AWEZNQCLSA-N 1 2 266.385 1.522 20 30 CDEDLO COCCC[N@@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000369301808 267233172 /nfs/dbraw/zinc/23/31/72/267233172.db2.gz FOWCEYOBNWKTDR-KGLIPLIRSA-N 1 2 252.358 1.950 20 30 CDEDLO COCCC[N@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000369301808 267233174 /nfs/dbraw/zinc/23/31/74/267233174.db2.gz FOWCEYOBNWKTDR-KGLIPLIRSA-N 1 2 252.358 1.950 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3cnccn3)CC2)nc1 ZINC000519577573 268220894 /nfs/dbraw/zinc/22/08/94/268220894.db2.gz LWBQWRGIOPRRAI-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCn2nc(C)nc2C1 ZINC000270976201 277367511 /nfs/dbraw/zinc/36/75/11/277367511.db2.gz BQJUWKOELNTKHH-UHFFFAOYSA-N 1 2 283.335 1.483 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCn2nc(C)nc2C1 ZINC000270976201 277367512 /nfs/dbraw/zinc/36/75/12/277367512.db2.gz BQJUWKOELNTKHH-UHFFFAOYSA-N 1 2 283.335 1.483 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(-c2nn[nH]n2)cn1 ZINC001590419930 1173402042 /nfs/dbraw/zinc/40/20/42/1173402042.db2.gz QQQTYZQMSFGUHH-JTQLQIEISA-N 1 2 257.301 1.044 20 30 CDEDLO C[C@H](O)C[C@H]1COCC[N@@H+]1Cc1ccccc1C#N ZINC000156923754 290154035 /nfs/dbraw/zinc/15/40/35/290154035.db2.gz WAUGOFOJCVWMSG-WFASDCNBSA-N 1 2 260.337 1.530 20 30 CDEDLO C[C@H](O)C[C@H]1COCC[N@H+]1Cc1ccccc1C#N ZINC000156923754 290154037 /nfs/dbraw/zinc/15/40/37/290154037.db2.gz WAUGOFOJCVWMSG-WFASDCNBSA-N 1 2 260.337 1.530 20 30 CDEDLO Cc1cc(N2CC[S@](=O)C[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000333538469 301343051 /nfs/dbraw/zinc/34/30/51/301343051.db2.gz ZLPYYSRXKUYBNM-YPMLDQLKSA-N 1 2 263.366 1.467 20 30 CDEDLO C[C@@H](F)CCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000563440924 316311425 /nfs/dbraw/zinc/31/14/25/316311425.db2.gz UAOKCYQFVHEHMH-GFCCVEGCSA-N 1 2 293.342 1.300 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC(=O)CC12CCC2 ZINC000584359157 329104041 /nfs/dbraw/zinc/10/40/41/329104041.db2.gz SZHMMNFYAZJHLH-UHFFFAOYSA-N 1 2 276.380 1.775 20 30 CDEDLO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000268386483 328184689 /nfs/dbraw/zinc/18/46/89/328184689.db2.gz PAFPDCPJQGWDLO-WFASDCNBSA-N 1 2 290.363 1.863 20 30 CDEDLO CC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000268386483 328184690 /nfs/dbraw/zinc/18/46/90/328184690.db2.gz PAFPDCPJQGWDLO-WFASDCNBSA-N 1 2 290.363 1.863 20 30 CDEDLO Cc1cccc2[nH]cc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c21 ZINC000571646251 328190714 /nfs/dbraw/zinc/19/07/14/328190714.db2.gz OZUWTNWJMJTMMA-KRWDZBQOSA-N 1 2 298.390 1.979 20 30 CDEDLO Cc1ncc(CO)c(/C=[NH+]/CCCCCCO)c1O ZINC000271851976 328198123 /nfs/dbraw/zinc/19/81/23/328198123.db2.gz WKNUPTYBZLIBJG-OQLLNIDSSA-N 1 2 266.341 1.560 20 30 CDEDLO COCCc1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000292752624 328273466 /nfs/dbraw/zinc/27/34/66/328273466.db2.gz IESKCZKAEDWUOU-HNNXBMFYSA-N 1 2 292.379 1.461 20 30 CDEDLO COCCc1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000292752624 328273468 /nfs/dbraw/zinc/27/34/68/328273468.db2.gz IESKCZKAEDWUOU-HNNXBMFYSA-N 1 2 292.379 1.461 20 30 CDEDLO N#Cc1cc(C(=O)NCCc2cn3ccccc3[nH+]2)c[nH]1 ZINC000181185338 323229340 /nfs/dbraw/zinc/22/93/40/323229340.db2.gz ROAZAHZNAGUVBM-UHFFFAOYSA-N 1 2 279.303 1.507 20 30 CDEDLO Cc1cc(N[C@H]([C@@H](CO)C2CC2)C2CC2)c(C#N)c[nH+]1 ZINC000582721871 325030472 /nfs/dbraw/zinc/03/04/72/325030472.db2.gz VIDVBEXJCRXEQL-HOCLYGCPSA-N 1 2 271.364 1.893 20 30 CDEDLO Cc1cc(CO[NH+]=C(N)Cc2csc(C)n2)on1 ZINC000071966203 327107307 /nfs/dbraw/zinc/10/73/07/327107307.db2.gz RVELWDCGCSCTHT-UHFFFAOYSA-N 1 2 266.326 1.779 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000559637708 327256055 /nfs/dbraw/zinc/25/60/55/327256055.db2.gz YNJVNGZJBYKJPQ-UHFFFAOYSA-N 1 2 298.390 1.933 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000559637708 327256057 /nfs/dbraw/zinc/25/60/57/327256057.db2.gz YNJVNGZJBYKJPQ-UHFFFAOYSA-N 1 2 298.390 1.933 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000560456468 327309302 /nfs/dbraw/zinc/30/93/02/327309302.db2.gz QSXOOLOIBYUSTA-YJNKXOJESA-N 1 2 296.411 1.336 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000560456468 327309305 /nfs/dbraw/zinc/30/93/05/327309305.db2.gz QSXOOLOIBYUSTA-YJNKXOJESA-N 1 2 296.411 1.336 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(C#N)cs1 ZINC000582461787 329085213 /nfs/dbraw/zinc/08/52/13/329085213.db2.gz JHJWTMKKCBPVLG-GFCCVEGCSA-N 1 2 262.338 1.193 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC(=O)CC12CCC2 ZINC000584359157 329104040 /nfs/dbraw/zinc/10/40/40/329104040.db2.gz SZHMMNFYAZJHLH-UHFFFAOYSA-N 1 2 276.380 1.775 20 30 CDEDLO C#CCN(CC#C)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000175729207 329168106 /nfs/dbraw/zinc/16/81/06/329168106.db2.gz KLBDHBBBQKXBBR-UHFFFAOYSA-N 1 2 265.316 1.440 20 30 CDEDLO CCCCC[N@H+](CC(N)=O)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000183061809 329246728 /nfs/dbraw/zinc/24/67/28/329246728.db2.gz XALIRYGCCDKCKT-HNNXBMFYSA-N 1 2 296.415 1.018 20 30 CDEDLO CCCCC[N@@H+](CC(N)=O)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000183061809 329246730 /nfs/dbraw/zinc/24/67/30/329246730.db2.gz XALIRYGCCDKCKT-HNNXBMFYSA-N 1 2 296.415 1.018 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cc(F)cc(OC)c2)nn1 ZINC000424174066 330313736 /nfs/dbraw/zinc/31/37/36/330313736.db2.gz RATRADCXJRSVHR-UHFFFAOYSA-N 1 2 276.315 1.902 20 30 CDEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccncc2F)nn1 ZINC000424300861 330337467 /nfs/dbraw/zinc/33/74/67/330337467.db2.gz YONJLXRIXDMDGE-JTQLQIEISA-N 1 2 261.304 1.849 20 30 CDEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H](C)C#N ZINC000433252846 330621382 /nfs/dbraw/zinc/62/13/82/330621382.db2.gz CNQZZVRVHRUYJX-JTQLQIEISA-N 1 2 274.324 1.325 20 30 CDEDLO COCCN(CC#N)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000453592666 331135210 /nfs/dbraw/zinc/13/52/10/331135210.db2.gz ANALDZPXLNRGKG-UHFFFAOYSA-N 1 2 270.336 1.844 20 30 CDEDLO COCCN(CC#N)Cc1c[nH+]c2ccc(C)cn12 ZINC000453597743 331135547 /nfs/dbraw/zinc/13/55/47/331135547.db2.gz MTEZASTXBMRKBJ-UHFFFAOYSA-N 1 2 258.325 1.615 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)NCc1c[nH+]ccc1OC ZINC000458811938 331260822 /nfs/dbraw/zinc/26/08/22/331260822.db2.gz NMJRDSCOHHBXTB-LLVKDONJSA-N 1 2 279.340 1.074 20 30 CDEDLO C#CC[N@H+](CC#CC)CC[S@@](=O)c1ccccc1 ZINC000490688467 332103572 /nfs/dbraw/zinc/10/35/72/332103572.db2.gz IVXBBPQNRHSXKX-GOSISDBHSA-N 1 2 259.374 1.753 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC[S@@](=O)c1ccccc1 ZINC000490688467 332103574 /nfs/dbraw/zinc/10/35/74/332103574.db2.gz IVXBBPQNRHSXKX-GOSISDBHSA-N 1 2 259.374 1.753 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@H](NC(=O)OC(C)(C)C)CC1=O ZINC000491252940 332174755 /nfs/dbraw/zinc/17/47/55/332174755.db2.gz KPZCCSTYFUAQKV-RYUDHWBXSA-N 1 2 295.383 1.023 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@H](NC(=O)OC(C)(C)C)CC1=O ZINC000491252940 332174757 /nfs/dbraw/zinc/17/47/57/332174757.db2.gz KPZCCSTYFUAQKV-RYUDHWBXSA-N 1 2 295.383 1.023 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)CCOCC)n1 ZINC000491404266 332205294 /nfs/dbraw/zinc/20/52/94/332205294.db2.gz AYULMSUEGDBQHK-UHFFFAOYSA-N 1 2 265.357 1.001 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)CCOCC)n1 ZINC000491404266 332205296 /nfs/dbraw/zinc/20/52/96/332205296.db2.gz AYULMSUEGDBQHK-UHFFFAOYSA-N 1 2 265.357 1.001 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cnc(C(C)=O)s1 ZINC000491650840 332264628 /nfs/dbraw/zinc/26/46/28/332264628.db2.gz CDBAPSIQKISVIY-NSHDSACASA-N 1 2 292.360 1.600 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cnc(C(C)=O)s1 ZINC000491650840 332264629 /nfs/dbraw/zinc/26/46/29/332264629.db2.gz CDBAPSIQKISVIY-NSHDSACASA-N 1 2 292.360 1.600 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000491670929 332277996 /nfs/dbraw/zinc/27/79/96/332277996.db2.gz WARXYTNUJKHRGK-SECBINFHSA-N 1 2 280.397 1.728 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000491670929 332277997 /nfs/dbraw/zinc/27/79/97/332277997.db2.gz WARXYTNUJKHRGK-SECBINFHSA-N 1 2 280.397 1.728 20 30 CDEDLO C#C[C@H](CC)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000491675152 332280715 /nfs/dbraw/zinc/28/07/15/332280715.db2.gz LOTCJNQAMUKQDD-TZMCWYRMSA-N 1 2 273.336 1.656 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2C(C)C)CC1 ZINC000491679436 332283571 /nfs/dbraw/zinc/28/35/71/332283571.db2.gz XMFVHTICAAIEIP-UHFFFAOYSA-N 1 2 275.400 1.738 20 30 CDEDLO C#CC[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)C(=O)OC ZINC000496593051 332554072 /nfs/dbraw/zinc/55/40/72/332554072.db2.gz UWVOORXAKWSVAH-NSHDSACASA-N 1 2 284.356 1.056 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606320 333090427 /nfs/dbraw/zinc/09/04/27/333090427.db2.gz YSCPPLVKVGUQTF-LLVKDONJSA-N 1 2 289.335 1.644 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606320 333090428 /nfs/dbraw/zinc/09/04/28/333090428.db2.gz YSCPPLVKVGUQTF-LLVKDONJSA-N 1 2 289.335 1.644 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCCCOc1cccc(C)c1 ZINC000192219845 333232564 /nfs/dbraw/zinc/23/25/64/333232564.db2.gz JJXBCUTVGADKMI-UHFFFAOYSA-N 1 2 274.364 1.445 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCCCOc1cccc(C)c1 ZINC000192219845 333232565 /nfs/dbraw/zinc/23/25/65/333232565.db2.gz JJXBCUTVGADKMI-UHFFFAOYSA-N 1 2 274.364 1.445 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(C)nn1C(C)(C)C ZINC000192222773 333232776 /nfs/dbraw/zinc/23/27/76/333232776.db2.gz NAVRTEYGCZTMCX-UHFFFAOYSA-N 1 2 262.357 1.450 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1cc(C)nn1C(C)(C)C ZINC000192222773 333232777 /nfs/dbraw/zinc/23/27/77/333232777.db2.gz NAVRTEYGCZTMCX-UHFFFAOYSA-N 1 2 262.357 1.450 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000192227561 333233204 /nfs/dbraw/zinc/23/32/04/333233204.db2.gz CUOGNYXWRQRASN-GFCCVEGCSA-N 1 2 262.328 1.910 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000192227561 333233206 /nfs/dbraw/zinc/23/32/06/333233206.db2.gz CUOGNYXWRQRASN-GFCCVEGCSA-N 1 2 262.328 1.910 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)c1cccc(CC#N)c1 ZINC000547805568 334119972 /nfs/dbraw/zinc/11/99/72/334119972.db2.gz UGNKBBCZDOGALM-UHFFFAOYSA-N 1 2 268.320 1.459 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1ccc(C)cc1 ZINC000566428291 334648032 /nfs/dbraw/zinc/64/80/32/334648032.db2.gz DDTZAWHDFDXNLU-AWEZNQCLSA-N 1 2 259.353 1.893 20 30 CDEDLO CCOc1cccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000566714060 334661409 /nfs/dbraw/zinc/66/14/09/334661409.db2.gz ZKQFPTPOTXRXPQ-HNNXBMFYSA-N 1 2 275.352 1.659 20 30 CDEDLO Cc1cc(=NC(=O)C[C@H](C)n2cc[nH+]c2)[nH]n1CCC#N ZINC000568516525 334828459 /nfs/dbraw/zinc/82/84/59/334828459.db2.gz DXJWDUSBQLLESS-NSHDSACASA-N 1 2 286.339 1.313 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2CC2(C#N)CCC2)O1 ZINC000577459733 335354543 /nfs/dbraw/zinc/35/45/43/335354543.db2.gz XLCWLDTUYVNCPW-CRWXNKLISA-N 1 2 292.379 1.864 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2CC2(C#N)CCC2)O1 ZINC000577459733 335354544 /nfs/dbraw/zinc/35/45/44/335354544.db2.gz XLCWLDTUYVNCPW-CRWXNKLISA-N 1 2 292.379 1.864 20 30 CDEDLO C[C@H](C#N)CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000182735114 335839625 /nfs/dbraw/zinc/83/96/25/335839625.db2.gz IZJVRMYVPFDOGU-VXGBXAGGSA-N 1 2 273.340 1.119 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCOc2ccccc21 ZINC000580896517 335981381 /nfs/dbraw/zinc/98/13/81/335981381.db2.gz XVWHJYIOTIHHLG-CZUORRHYSA-N 1 2 287.363 1.513 20 30 CDEDLO C=C[C@@](C)(O)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000668794627 482325552 /nfs/dbraw/zinc/32/55/52/482325552.db2.gz MTFBCJJQQDELRK-IUODEOHRSA-N 1 2 298.333 1.621 20 30 CDEDLO COCC#CC[NH+]1CCN(c2ccccc2O)CC1 ZINC000677133444 482542780 /nfs/dbraw/zinc/54/27/80/482542780.db2.gz WDHAEZMWQXPZJB-UHFFFAOYSA-N 1 2 260.337 1.164 20 30 CDEDLO C=CCNc1ncc(C(=O)N2CC[N@@H+](CC)[C@H](C)C2)s1 ZINC000677217387 482587919 /nfs/dbraw/zinc/58/79/19/482587919.db2.gz SGMULMCOBPKNHL-LLVKDONJSA-N 1 2 294.424 1.907 20 30 CDEDLO C=CCNc1ncc(C(=O)N2CC[N@H+](CC)[C@H](C)C2)s1 ZINC000677217387 482587920 /nfs/dbraw/zinc/58/79/20/482587920.db2.gz SGMULMCOBPKNHL-LLVKDONJSA-N 1 2 294.424 1.907 20 30 CDEDLO C=CCC1(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CCC1 ZINC000682898498 483375430 /nfs/dbraw/zinc/37/54/30/483375430.db2.gz DVKZYXBIVIZLFA-UHFFFAOYSA-N 1 2 288.395 1.800 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C[C@@H](C)OC ZINC001754301179 1185540115 /nfs/dbraw/zinc/54/01/15/1185540115.db2.gz KZIQRIZMMFDFBA-WDEREUQCSA-N 1 2 262.781 1.600 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C[C@@H](C)OC ZINC001754301179 1185540122 /nfs/dbraw/zinc/54/01/22/1185540122.db2.gz KZIQRIZMMFDFBA-WDEREUQCSA-N 1 2 262.781 1.600 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](OC)C2CCC2)CC1 ZINC001113166318 1162120270 /nfs/dbraw/zinc/12/02/70/1162120270.db2.gz KLZRFFPPVKGXMC-HNNXBMFYSA-N 1 2 296.411 1.148 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H](C)C(F)(F)F)CC1 ZINC001113292193 1162147376 /nfs/dbraw/zinc/14/73/76/1162147376.db2.gz OVHRZDCCADDABV-LLVKDONJSA-N 1 2 276.302 1.742 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c(C#N)c1C ZINC000167237778 534546415 /nfs/dbraw/zinc/54/64/15/534546415.db2.gz YGZLIVNKWBDCPN-NOZJJQNGSA-N 1 2 291.351 1.409 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](O)[C@H](C)C2)c(C#N)c1C ZINC000167237778 534546422 /nfs/dbraw/zinc/54/64/22/534546422.db2.gz YGZLIVNKWBDCPN-NOZJJQNGSA-N 1 2 291.351 1.409 20 30 CDEDLO N#CC1(F)CC[NH+](Cc2cnn(CC(F)F)c2)CC1 ZINC000353463367 534567625 /nfs/dbraw/zinc/56/76/25/534567625.db2.gz QPHHWZKTNCKDLJ-UHFFFAOYSA-N 1 2 272.274 1.976 20 30 CDEDLO Cn1ccnc1C[N@H+](C)CCOc1ccccc1C#N ZINC000062251966 522919671 /nfs/dbraw/zinc/91/96/71/522919671.db2.gz 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/nfs/dbraw/zinc/25/07/58/613250758.db2.gz KHRILFHBGLMFSR-UWVGGRQHSA-N 1 2 297.811 1.870 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2scnc2Cl)C1 ZINC000968651591 613250760 /nfs/dbraw/zinc/25/07/60/613250760.db2.gz KHRILFHBGLMFSR-UWVGGRQHSA-N 1 2 297.811 1.870 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000950923660 613294853 /nfs/dbraw/zinc/29/48/53/613294853.db2.gz GXKLUWCRSWVSMQ-LEOABGAYSA-N 1 2 290.407 1.519 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccnc(F)c2)C1 ZINC000949763192 613297019 /nfs/dbraw/zinc/29/70/19/613297019.db2.gz DMUNETAKGGOYNO-UHFFFAOYSA-N 1 2 277.343 1.943 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnn3ccncc23)C1 ZINC000950518571 613297475 /nfs/dbraw/zinc/29/74/75/613297475.db2.gz PKQOIAVFISWCDQ-UHFFFAOYSA-N 1 2 299.378 1.452 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c[nH]c(=O)cc2C)C1 ZINC000951730542 613297525 /nfs/dbraw/zinc/29/75/25/613297525.db2.gz UOWOZCHUONDASK-UHFFFAOYSA-N 1 2 289.379 1.818 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(=O)[nH]c2)C1 ZINC000970836127 613371701 /nfs/dbraw/zinc/37/17/01/613371701.db2.gz PXLPSGXKFOMUQM-SNVBAGLBSA-N 1 2 295.770 1.590 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnco2)C1 ZINC000970229069 613371933 /nfs/dbraw/zinc/37/19/33/613371933.db2.gz QGHPUGMIJYVGIQ-SECBINFHSA-N 1 2 269.732 1.477 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnnn2CC)C1 ZINC000969609623 613371961 /nfs/dbraw/zinc/37/19/61/613371961.db2.gz UBMNRMNYCUYIQZ-SNVBAGLBSA-N 1 2 297.790 1.101 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(OC)no2)C1 ZINC000969521023 613372400 /nfs/dbraw/zinc/37/24/00/613372400.db2.gz BKJVXIZSRRIQGA-VIFPVBQESA-N 1 2 299.758 1.486 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccncn2)C1 ZINC000968432147 613375716 /nfs/dbraw/zinc/37/57/16/613375716.db2.gz WKNHWBQJYMIKHX-ZWNOBZJWSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccncn2)C1 ZINC000968432147 613375717 /nfs/dbraw/zinc/37/57/17/613375717.db2.gz WKNHWBQJYMIKHX-ZWNOBZJWSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn(C)n2)C1 ZINC000968643565 613375906 /nfs/dbraw/zinc/37/59/06/613375906.db2.gz NRMLBCSGCYGYJI-ZWNOBZJWSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn(C)n2)C1 ZINC000968643565 613375907 /nfs/dbraw/zinc/37/59/07/613375907.db2.gz NRMLBCSGCYGYJI-ZWNOBZJWSA-N 1 2 296.802 1.613 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+](Cc2cncn2C)CC1 ZINC000981750969 613431804 /nfs/dbraw/zinc/43/18/04/613431804.db2.gz MBZJZJNWJGJFEF-UHFFFAOYSA-N 1 2 290.411 1.667 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCC[N@H+](Cc2cncn2C)CC1 ZINC000981750969 613431808 /nfs/dbraw/zinc/43/18/08/613431808.db2.gz MBZJZJNWJGJFEF-UHFFFAOYSA-N 1 2 290.411 1.667 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+][C@H](C)c2nnc(C)o2)C1 ZINC000969585718 613436643 /nfs/dbraw/zinc/43/66/43/613436643.db2.gz YUVODQUKYFJMBG-ZYHUDNBSSA-N 1 2 292.383 1.842 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2cnc(C3CC3)o2)CC1 ZINC000981358801 613556056 /nfs/dbraw/zinc/55/60/56/613556056.db2.gz XFEGVZNLMQOXRR-UHFFFAOYSA-N 1 2 287.363 1.723 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2cnc(C3CC3)o2)CC1 ZINC000981358801 613556060 /nfs/dbraw/zinc/55/60/60/613556060.db2.gz XFEGVZNLMQOXRR-UHFFFAOYSA-N 1 2 287.363 1.723 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CN(C)c2ccccc2)CC1 ZINC000957883092 613562594 /nfs/dbraw/zinc/56/25/94/613562594.db2.gz CNCJWYMAVNASTA-UHFFFAOYSA-N 1 2 285.391 1.290 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCC)C2)C1 ZINC000972221021 613570011 /nfs/dbraw/zinc/57/00/11/613570011.db2.gz QLAAIJCKUQJKJE-HNNXBMFYSA-N 1 2 264.369 1.113 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCC)C2)C1 ZINC000972221021 613570012 /nfs/dbraw/zinc/57/00/12/613570012.db2.gz QLAAIJCKUQJKJE-HNNXBMFYSA-N 1 2 264.369 1.113 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C(C)C)C2)C1 ZINC000972582672 613570947 /nfs/dbraw/zinc/57/09/47/613570947.db2.gz PRBGDXZWHUFYOI-NVXWUHKLSA-N 1 2 292.423 1.605 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C(C)C)C2)C1 ZINC000972582672 613570949 /nfs/dbraw/zinc/57/09/49/613570949.db2.gz PRBGDXZWHUFYOI-NVXWUHKLSA-N 1 2 292.423 1.605 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC000957413741 613654194 /nfs/dbraw/zinc/65/41/94/613654194.db2.gz STVVDRVAEHJXDU-GFCCVEGCSA-N 1 2 288.395 1.233 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC000950850362 613654930 /nfs/dbraw/zinc/65/49/30/613654930.db2.gz MABVHANARNHXHC-JKSUJKDBSA-N 1 2 292.423 1.768 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCOC[C@H]2C)C1 ZINC000951700738 613655223 /nfs/dbraw/zinc/65/52/23/613655223.db2.gz KBCUXLRLYJSIMO-OCCSQVGLSA-N 1 2 266.385 1.378 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccc(=O)[nH]c2)C1 ZINC000957351283 613657468 /nfs/dbraw/zinc/65/74/68/613657468.db2.gz YJCJRSJQLSWEGM-UHFFFAOYSA-N 1 2 261.325 1.120 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccccc2-n2cccn2)CC1 ZINC000950721363 613716920 /nfs/dbraw/zinc/71/69/20/613716920.db2.gz KXFLIRLNLCZUSH-UHFFFAOYSA-N 1 2 296.374 1.816 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccnc3ccncc32)CC1 ZINC000949488613 613717348 /nfs/dbraw/zinc/71/73/48/613717348.db2.gz LBOQUJGZYUZLON-UHFFFAOYSA-N 1 2 282.347 1.574 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2n[nH]c3ccc(C)cc32)CC1 ZINC000949081922 613718553 /nfs/dbraw/zinc/71/85/53/613718553.db2.gz ZQYOMFWVVOMGGL-UHFFFAOYSA-N 1 2 284.363 1.815 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nocc3C)C2)C1 ZINC000972628093 613724540 /nfs/dbraw/zinc/72/45/40/613724540.db2.gz NMLIOADFHLVZJD-HNNXBMFYSA-N 1 2 291.351 1.086 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nocc3C)C2)C1 ZINC000972628093 613724542 /nfs/dbraw/zinc/72/45/42/613724542.db2.gz NMLIOADFHLVZJD-HNNXBMFYSA-N 1 2 291.351 1.086 20 30 CDEDLO C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000782586582 617508702 /nfs/dbraw/zinc/50/87/02/617508702.db2.gz OKOZIXYNQZGINW-GFCCVEGCSA-N 1 2 257.337 1.415 20 30 CDEDLO C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000782586582 617508705 /nfs/dbraw/zinc/50/87/05/617508705.db2.gz OKOZIXYNQZGINW-GFCCVEGCSA-N 1 2 257.337 1.415 20 30 CDEDLO C#C[C@H]([NH2+]Cc1csc(CC)n1)[C@H]1CCCO1 ZINC000775341294 617520007 /nfs/dbraw/zinc/52/00/07/617520007.db2.gz LIRYOFSAYIEDRC-NWDGAFQWSA-N 1 2 250.367 1.976 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(N(C)C)nc[nH+]1 ZINC000893660085 617809518 /nfs/dbraw/zinc/80/95/18/617809518.db2.gz TUWYBTMDTMFTOP-FZMZJTMJSA-N 1 2 262.357 1.936 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(N(C)C)[nH+]cn1 ZINC000893660085 617809520 /nfs/dbraw/zinc/80/95/20/617809520.db2.gz TUWYBTMDTMFTOP-FZMZJTMJSA-N 1 2 262.357 1.936 20 30 CDEDLO CC(C)(C)OC(=O)NC[C@](C)(O)C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932155030 617954857 /nfs/dbraw/zinc/95/48/57/617954857.db2.gz VMOXRDSUDTUVKC-WFASDCNBSA-N 1 2 297.399 1.498 20 30 CDEDLO CC(C)(C)OC(=O)NC[C@](C)(O)C[N@H+]1CCC[C@@H](C#N)C1 ZINC000932155030 617954868 /nfs/dbraw/zinc/95/48/68/617954868.db2.gz VMOXRDSUDTUVKC-WFASDCNBSA-N 1 2 297.399 1.498 20 30 CDEDLO N#CCN1CC[NH+](Cc2ccccc2OCC(F)F)CC1 ZINC000893992809 618234456 /nfs/dbraw/zinc/23/44/56/618234456.db2.gz LIYIPXVWBHHIRC-UHFFFAOYSA-N 1 2 295.333 1.972 20 30 CDEDLO CC(C)(C)OC(=O)N1CCOC[C@@H]([NH2+]CCC#N)C1 ZINC000894082177 618342336 /nfs/dbraw/zinc/34/23/36/618342336.db2.gz AMTZGEQTSKJDRR-NSHDSACASA-N 1 2 269.345 1.126 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)C(=O)OC ZINC000894194897 618681698 /nfs/dbraw/zinc/68/16/98/618681698.db2.gz NCBSZZIFBUNFEO-YJNKXOJESA-N 1 2 297.395 1.525 20 30 CDEDLO C[N@@H+]1CCO[C@H](CSc2cc(C#N)sc2[N+](=O)[O-])C1 ZINC000894339789 618796272 /nfs/dbraw/zinc/79/62/72/618796272.db2.gz AQPNNDNPMYSXNM-QMMMGPOBSA-N 1 2 299.377 1.951 20 30 CDEDLO C[N@H+]1CCO[C@H](CSc2cc(C#N)sc2[N+](=O)[O-])C1 ZINC000894339789 618796277 /nfs/dbraw/zinc/79/62/77/618796277.db2.gz AQPNNDNPMYSXNM-QMMMGPOBSA-N 1 2 299.377 1.951 20 30 CDEDLO COc1cc(C[NH2+][C@@H](C)c2nnc(C)[nH]2)ccc1C#N ZINC000894774004 619049076 /nfs/dbraw/zinc/04/90/76/619049076.db2.gz MSSYRIGSRGAAJV-VIFPVBQESA-N 1 2 271.324 1.844 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2cn(CCC)nn2)CC1 ZINC000895827887 619856024 /nfs/dbraw/zinc/85/60/24/619856024.db2.gz QQFGKODYXSLAJE-UHFFFAOYSA-N 1 2 264.373 1.591 20 30 CDEDLO C#CC[NH+]1CCC(NC(=O)c2cccc3nc[nH]c32)CC1 ZINC000928654972 620386991 /nfs/dbraw/zinc/38/69/91/620386991.db2.gz OHOQWTCGSPCYQP-UHFFFAOYSA-N 1 2 282.347 1.390 20 30 CDEDLO C#C[C@@H](CC)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897555329 620989650 /nfs/dbraw/zinc/98/96/50/620989650.db2.gz PUGFJBUCNQOWAM-GWCFXTLKSA-N 1 2 260.341 1.318 20 30 CDEDLO C#C[C@@H](CC)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000897555329 620989652 /nfs/dbraw/zinc/98/96/52/620989652.db2.gz PUGFJBUCNQOWAM-GWCFXTLKSA-N 1 2 260.341 1.318 20 30 CDEDLO CC[C@H](C#N)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000900471079 623109805 /nfs/dbraw/zinc/10/98/05/623109805.db2.gz GDKFPFHXQVEKSD-SKDRFNHKSA-N 1 2 261.329 1.208 20 30 CDEDLO CC[C@H](C#N)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000900471079 623109827 /nfs/dbraw/zinc/10/98/27/623109827.db2.gz GDKFPFHXQVEKSD-SKDRFNHKSA-N 1 2 261.329 1.208 20 30 CDEDLO C=CCN1CCN(CN2CCc3c([nH+]cn3CC)C2)C1=O ZINC000902557992 624946037 /nfs/dbraw/zinc/94/60/37/624946037.db2.gz MNOOMSKXPOIENR-UHFFFAOYSA-N 1 2 289.383 1.142 20 30 CDEDLO C#CC[C@H](CCOC)[NH2+][C@H](C(=O)OC)[C@@H](C)CC ZINC000905775850 626959452 /nfs/dbraw/zinc/95/94/52/626959452.db2.gz CBXUABOPQRDDKZ-XQQFMLRXSA-N 1 2 255.358 1.592 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000835369689 631626831 /nfs/dbraw/zinc/62/68/31/631626831.db2.gz ASXLDNNPBHQRAC-UTUOFQBUSA-N 1 2 257.305 1.165 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000835369689 631626834 /nfs/dbraw/zinc/62/68/34/631626834.db2.gz ASXLDNNPBHQRAC-UTUOFQBUSA-N 1 2 257.305 1.165 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(F)c(C=O)c2)C1 ZINC000923597358 631811304 /nfs/dbraw/zinc/81/13/04/631811304.db2.gz DHSCHOXJNYDPSZ-AWEZNQCLSA-N 1 2 288.322 1.466 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(F)c(C=O)c2)C1 ZINC000923597358 631811308 /nfs/dbraw/zinc/81/13/08/631811308.db2.gz DHSCHOXJNYDPSZ-AWEZNQCLSA-N 1 2 288.322 1.466 20 30 CDEDLO C#Cc1cccc(NC(=O)CNC(=O)CCn2cc[nH+]c2)c1 ZINC000918760256 632440377 /nfs/dbraw/zinc/44/03/77/632440377.db2.gz KYQNZXGBSGAPOW-UHFFFAOYSA-N 1 2 296.330 1.009 20 30 CDEDLO C=CC[N@@H+](C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000155012014 632625996 /nfs/dbraw/zinc/62/59/96/632625996.db2.gz BPETXHMTRGEAON-UHFFFAOYSA-N 1 2 290.323 1.912 20 30 CDEDLO C=CC[N@H+](C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000155012014 632626000 /nfs/dbraw/zinc/62/60/00/632626000.db2.gz BPETXHMTRGEAON-UHFFFAOYSA-N 1 2 290.323 1.912 20 30 CDEDLO CC(C)(S)CNc1cc2c(c[nH+]1)OCC(=O)N2 ZINC001170302060 1162328593 /nfs/dbraw/zinc/32/85/93/1162328593.db2.gz RRSDJWMFLYDQFB-UHFFFAOYSA-N 1 2 253.327 1.533 20 30 CDEDLO CCOC(=O)[C@@H](C#N)Nc1cc(N)c(C(F)(F)F)c[nH+]1 ZINC001170366763 1162342744 /nfs/dbraw/zinc/34/27/44/1162342744.db2.gz SYXGTUUIGIFMMG-MRVPVSSYSA-N 1 2 288.229 1.550 20 30 CDEDLO CC[NH+](CC)c1ccc(C)c(N[C@@H](C#N)C(N)=O)c1 ZINC001170542499 1162802461 /nfs/dbraw/zinc/80/24/61/1162802461.db2.gz MHTAHJYLBIQMPZ-ZDUSSCGKSA-N 1 2 260.341 1.631 20 30 CDEDLO COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001170543883 1162808025 /nfs/dbraw/zinc/80/80/25/1162808025.db2.gz QPKMQSSLXKGTKG-ADEWGFFLSA-N 1 2 281.377 1.602 20 30 CDEDLO COC(=O)[C@@H]1CC[C@H]([N@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001170543883 1162808030 /nfs/dbraw/zinc/80/80/30/1162808030.db2.gz QPKMQSSLXKGTKG-ADEWGFFLSA-N 1 2 281.377 1.602 20 30 CDEDLO COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001170543883 1162808036 /nfs/dbraw/zinc/80/80/36/1162808036.db2.gz QPKMQSSLXKGTKG-ADEWGFFLSA-N 1 2 281.377 1.602 20 30 CDEDLO COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001170543883 1162808041 /nfs/dbraw/zinc/80/80/41/1162808041.db2.gz QPKMQSSLXKGTKG-ADEWGFFLSA-N 1 2 281.377 1.602 20 30 CDEDLO CC(C)C#CC(=O)NC[C@@H]1CC[N@@H+]1CCC(F)(F)F ZINC001754483082 1159233814 /nfs/dbraw/zinc/23/38/14/1159233814.db2.gz GHVAVXFNIHZQJK-NSHDSACASA-N 1 2 276.302 1.789 20 30 CDEDLO CC(C)C#CC(=O)NC[C@@H]1CC[N@H+]1CCC(F)(F)F ZINC001754483082 1159233820 /nfs/dbraw/zinc/23/38/20/1159233820.db2.gz GHVAVXFNIHZQJK-NSHDSACASA-N 1 2 276.302 1.789 20 30 CDEDLO Cc1noc([C@@H](C)[NH2+][C@H](C)CNC(=O)C#CC(C)(C)C)n1 ZINC001752869357 1160816358 /nfs/dbraw/zinc/81/63/58/1160816358.db2.gz KFQUPZNJKFQKFZ-GHMZBOCLSA-N 1 2 292.383 1.583 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccc(C)cc3)[C@H]2C1 ZINC001083135288 1161586249 /nfs/dbraw/zinc/58/62/49/1161586249.db2.gz VTIZUPPRLUNOIL-DLBZAZTESA-N 1 2 298.386 1.082 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccc(C)cc3)[C@H]2C1 ZINC001083135288 1161586252 /nfs/dbraw/zinc/58/62/52/1161586252.db2.gz VTIZUPPRLUNOIL-DLBZAZTESA-N 1 2 298.386 1.082 20 30 CDEDLO Cc1nc(N(C)[C@@H](C)CNC(=O)C#CC(C)C)cc[nH+]1 ZINC001113598478 1162234478 /nfs/dbraw/zinc/23/44/78/1162234478.db2.gz KLOQJJRGETXQAU-LBPRGKRZSA-N 1 2 274.368 1.385 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@](C)(NC(C)=O)C(C)C)CC1 ZINC001113701905 1162260370 /nfs/dbraw/zinc/26/03/70/1162260370.db2.gz OPTWFJGFMKDBSN-MRXNPFEDSA-N 1 2 295.427 1.258 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2nnc(CC)o2)cc1 ZINC001132215962 1163201370 /nfs/dbraw/zinc/20/13/70/1163201370.db2.gz UBDVOBBUBBKQDP-UHFFFAOYSA-N 1 2 298.346 1.133 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+][C@H](C)c1nc(COC)no1 ZINC001132391690 1163265947 /nfs/dbraw/zinc/26/59/47/1163265947.db2.gz OETVUCKLJHTAEH-SNVBAGLBSA-N 1 2 296.371 1.195 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccn(CCC#N)n1 ZINC001628448756 1166075991 /nfs/dbraw/zinc/07/59/91/1166075991.db2.gz WKKZWJWPHFQGKS-UHFFFAOYSA-N 1 2 258.285 1.010 20 30 CDEDLO N#CCOc1ccc(NC(=O)NCc2ccc(N)[nH+]c2)cc1 ZINC001647183114 1168430860 /nfs/dbraw/zinc/43/08/60/1168430860.db2.gz WTQXFYQJXXCVSV-UHFFFAOYSA-N 1 2 297.318 1.888 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1c[nH]nn1 ZINC001575049296 1171095697 /nfs/dbraw/zinc/09/56/97/1171095697.db2.gz JWOLVEBGKWBBLJ-TZMCWYRMSA-N 1 2 291.399 1.536 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cn[nH]n1 ZINC001575049296 1171095705 /nfs/dbraw/zinc/09/57/05/1171095705.db2.gz JWOLVEBGKWBBLJ-TZMCWYRMSA-N 1 2 291.399 1.536 20 30 CDEDLO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2c[nH]nn2)C1 ZINC001575049606 1171095773 /nfs/dbraw/zinc/09/57/73/1171095773.db2.gz PHHZOXZLTUWYPK-OLZOCXBDSA-N 1 2 291.399 1.536 20 30 CDEDLO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cn[nH]n2)C1 ZINC001575049606 1171095781 /nfs/dbraw/zinc/09/57/81/1171095781.db2.gz PHHZOXZLTUWYPK-OLZOCXBDSA-N 1 2 291.399 1.536 20 30 CDEDLO C#CCO[C@@H](C)C(=O)NCC[N@@H+](CC)Cc1ccns1 ZINC001753081947 1182209791 /nfs/dbraw/zinc/20/97/91/1182209791.db2.gz CMEQVUUEWWAKAY-LBPRGKRZSA-N 1 2 295.408 1.120 20 30 CDEDLO C#CCO[C@@H](C)C(=O)NCC[N@H+](CC)Cc1ccns1 ZINC001753081947 1182209795 /nfs/dbraw/zinc/20/97/95/1182209795.db2.gz CMEQVUUEWWAKAY-LBPRGKRZSA-N 1 2 295.408 1.120 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)COCc1ccc(C)cc1 ZINC001754485289 1185638781 /nfs/dbraw/zinc/63/87/81/1185638781.db2.gz RWAURLPBHYKGRU-INIZCTEOSA-N 1 2 286.375 1.335 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)COCc1ccc(C)cc1 ZINC001754485289 1185638783 /nfs/dbraw/zinc/63/87/83/1185638783.db2.gz RWAURLPBHYKGRU-INIZCTEOSA-N 1 2 286.375 1.335 20 30 CDEDLO C=CCCCC(=O)NC[C@H]1CC[N@H+]1Cc1cn(C)nc1C ZINC001754492146 1185640175 /nfs/dbraw/zinc/64/01/75/1185640175.db2.gz WVIGTGOXRNDJQY-OAHLLOKOSA-N 1 2 290.411 1.775 20 30 CDEDLO C=CCCCC(=O)NC[C@H]1CC[N@@H+]1Cc1cn(C)nc1C ZINC001754492146 1185640179 /nfs/dbraw/zinc/64/01/79/1185640179.db2.gz WVIGTGOXRNDJQY-OAHLLOKOSA-N 1 2 290.411 1.775 20 30 CDEDLO C=CCCC(=O)NCC1([NH2+][C@@H](C)c2nnc(CC)o2)CC1 ZINC001754509422 1185650586 /nfs/dbraw/zinc/65/05/86/1185650586.db2.gz IIDFBAKTVRKXDH-NSHDSACASA-N 1 2 292.383 1.898 20 30 CDEDLO CC#CCCCC(=O)NCC1([NH2+]Cc2ncc(C)o2)CC1 ZINC001754528786 1185659478 /nfs/dbraw/zinc/65/94/78/1185659478.db2.gz RIWVVWLGSLBJDC-UHFFFAOYSA-N 1 2 289.379 1.915 20 30 CDEDLO C=C(C)CC[NH+]1CC(N(C)C(=O)C(F)C(F)(F)F)C1 ZINC001754575980 1185672281 /nfs/dbraw/zinc/67/22/81/1185672281.db2.gz VPPORILAEHRJAV-SNVBAGLBSA-N 1 2 282.281 1.996 20 30 CDEDLO C=C(C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1csnn1 ZINC001755238976 1185871234 /nfs/dbraw/zinc/87/12/34/1185871234.db2.gz ZGMFOWLVWZGVLO-GHMZBOCLSA-N 1 2 282.413 1.877 20 30 CDEDLO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1[nH]ncc1F ZINC001024636942 726022533 /nfs/dbraw/zinc/02/25/33/726022533.db2.gz FAFQCEUCOHADQN-JTQLQIEISA-N 1 2 266.320 1.319 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cncc(C)c2)C1 ZINC001010424432 726024539 /nfs/dbraw/zinc/02/45/39/726024539.db2.gz NAKVGXOSQYSCRI-CYBMUJFWSA-N 1 2 279.771 1.947 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cncc(C)c2)C1 ZINC001010424432 726024540 /nfs/dbraw/zinc/02/45/40/726024540.db2.gz NAKVGXOSQYSCRI-CYBMUJFWSA-N 1 2 279.771 1.947 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC=CCC1 ZINC001032565532 726204987 /nfs/dbraw/zinc/20/49/87/726204987.db2.gz NFYNXXJHXBNAHO-ILXRZTDVSA-N 1 2 258.365 1.651 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC=CCC1 ZINC001032565532 726204990 /nfs/dbraw/zinc/20/49/90/726204990.db2.gz NFYNXXJHXBNAHO-ILXRZTDVSA-N 1 2 258.365 1.651 20 30 CDEDLO CC[C@H](F)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC001017424107 726306315 /nfs/dbraw/zinc/30/63/15/726306315.db2.gz ZTJXCDWWSHLSQP-XQHKEYJVSA-N 1 2 267.348 1.569 20 30 CDEDLO CC[C@H](F)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC001017424107 726306318 /nfs/dbraw/zinc/30/63/18/726306318.db2.gz ZTJXCDWWSHLSQP-XQHKEYJVSA-N 1 2 267.348 1.569 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1oc(C)cc1C ZINC001038144838 726340423 /nfs/dbraw/zinc/34/04/23/726340423.db2.gz FARXRSNGVYKTRA-CYBMUJFWSA-N 1 2 260.337 1.724 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnn1C(F)F ZINC001038290775 727093417 /nfs/dbraw/zinc/09/34/17/727093417.db2.gz QXDCPYJKPHCSJT-JTQLQIEISA-N 1 2 282.294 1.106 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnn1C(F)F ZINC001038290775 727093421 /nfs/dbraw/zinc/09/34/21/727093421.db2.gz QXDCPYJKPHCSJT-JTQLQIEISA-N 1 2 282.294 1.106 20 30 CDEDLO N#CCCNC(=O)C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000796120063 726010112 /nfs/dbraw/zinc/01/01/12/726010112.db2.gz IKFSAXKVIRVGKP-UHFFFAOYSA-N 1 2 259.309 1.399 20 30 CDEDLO N#CCCNC(=O)C[N@H+]1CCC=C(c2ccco2)C1 ZINC000796120063 726010113 /nfs/dbraw/zinc/01/01/13/726010113.db2.gz IKFSAXKVIRVGKP-UHFFFAOYSA-N 1 2 259.309 1.399 20 30 CDEDLO Cn1ncc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)n1 ZINC000815138150 726011935 /nfs/dbraw/zinc/01/19/35/726011935.db2.gz DLNJGJFXHUPRGM-AWEZNQCLSA-N 1 2 253.309 1.464 20 30 CDEDLO NC(=[NH+]OCCOCC1CC1)c1ccc(F)cc1 ZINC000782313972 726012639 /nfs/dbraw/zinc/01/26/39/726012639.db2.gz OQCJQUYMUGIMON-UHFFFAOYSA-N 1 2 252.289 1.889 20 30 CDEDLO C#CCCNc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000840262943 726016064 /nfs/dbraw/zinc/01/60/64/726016064.db2.gz JLPILEWLNVLUTO-RYUDHWBXSA-N 1 2 260.341 1.119 20 30 CDEDLO C#CCCNc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000840262943 726016065 /nfs/dbraw/zinc/01/60/65/726016065.db2.gz JLPILEWLNVLUTO-RYUDHWBXSA-N 1 2 260.341 1.119 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H](C)C2CCOCC2)C1 ZINC001044382974 726017800 /nfs/dbraw/zinc/01/78/00/726017800.db2.gz GYXCTXYYCOPUCL-LBPRGKRZSA-N 1 2 266.385 1.378 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(C)nn2)C1 ZINC001042707863 726018207 /nfs/dbraw/zinc/01/82/07/726018207.db2.gz YAUSKJSZGRWRMV-UHFFFAOYSA-N 1 2 260.341 1.117 20 30 CDEDLO C#C[C@@H](C)N(C)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000882132759 726018930 /nfs/dbraw/zinc/01/89/30/726018930.db2.gz PEBYJOSDQLSYJI-GFCCVEGCSA-N 1 2 292.404 1.317 20 30 CDEDLO C#C[C@@H](C)N(C)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000882132759 726018931 /nfs/dbraw/zinc/01/89/31/726018931.db2.gz PEBYJOSDQLSYJI-GFCCVEGCSA-N 1 2 292.404 1.317 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2[nH]ccc2C2CC2)C1 ZINC001042884489 726019778 /nfs/dbraw/zinc/01/97/78/726019778.db2.gz LKYJJNPBBVXXGA-UHFFFAOYSA-N 1 2 259.353 1.834 20 30 CDEDLO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1[nH]ncc1F ZINC001024636942 726022532 /nfs/dbraw/zinc/02/25/32/726022532.db2.gz FAFQCEUCOHADQN-JTQLQIEISA-N 1 2 266.320 1.319 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@]23CCO[C@H]2CCCC3)C1 ZINC001043314531 726022599 /nfs/dbraw/zinc/02/25/99/726022599.db2.gz MWKZYXRBPQQIIB-DOTOQJQBSA-N 1 2 290.407 1.502 20 30 CDEDLO C[C@@H]1C[NH+]=C(NN=Cc2ccc3ccc(F)c(F)c3n2)N1 ZINC000814896911 726022662 /nfs/dbraw/zinc/02/26/62/726022662.db2.gz AMCQYMRRDNNOTL-MRVPVSSYSA-N 1 2 289.289 1.784 20 30 CDEDLO C#CCC[C@@H](O)CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000810231520 726022868 /nfs/dbraw/zinc/02/28/68/726022868.db2.gz DSKDXFHUAXCLIX-GFCCVEGCSA-N 1 2 272.308 1.230 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)C1CC1)CO2 ZINC001053900204 726023791 /nfs/dbraw/zinc/02/37/91/726023791.db2.gz HTZKNPFVWXADID-CQSZACIVSA-N 1 2 292.423 1.958 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000877364120 726024282 /nfs/dbraw/zinc/02/42/82/726024282.db2.gz KPRLHOLFHHYWBW-LLVKDONJSA-N 1 2 267.354 1.116 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2coc(=O)c3ccccc23)C1 ZINC001030779169 726057841 /nfs/dbraw/zinc/05/78/41/726057841.db2.gz YZDYOOUOZCIHFS-UHFFFAOYSA-N 1 2 298.342 1.783 20 30 CDEDLO C=CCOc1ccc(C(=O)NC2C[NH+](C[C@@H](C)O)C2)cc1 ZINC001030541237 726075853 /nfs/dbraw/zinc/07/58/53/726075853.db2.gz IOWKDPGTILLUTA-GFCCVEGCSA-N 1 2 290.363 1.046 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1oc(C(C)C)nc1C ZINC001038788516 726089066 /nfs/dbraw/zinc/08/90/66/726089066.db2.gz TZWYMZVHEJOIRT-CYBMUJFWSA-N 1 2 289.379 1.934 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1oc(C(C)C)nc1C ZINC001038788516 726089069 /nfs/dbraw/zinc/08/90/69/726089069.db2.gz TZWYMZVHEJOIRT-CYBMUJFWSA-N 1 2 289.379 1.934 20 30 CDEDLO C#Cc1ccccc1CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000810349659 726091920 /nfs/dbraw/zinc/09/19/20/726091920.db2.gz JQXPENVMLRHLHT-CQSZACIVSA-N 1 2 286.375 1.047 20 30 CDEDLO C#Cc1ccccc1CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000810349659 726091921 /nfs/dbraw/zinc/09/19/21/726091921.db2.gz JQXPENVMLRHLHT-CQSZACIVSA-N 1 2 286.375 1.047 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCC1(CC#N)CC1 ZINC000875553486 726133846 /nfs/dbraw/zinc/13/38/46/726133846.db2.gz APVYXRYRFSJNED-CYBMUJFWSA-N 1 2 294.399 1.090 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NCC1(CC#N)CC1 ZINC000875553486 726133848 /nfs/dbraw/zinc/13/38/48/726133848.db2.gz APVYXRYRFSJNED-CYBMUJFWSA-N 1 2 294.399 1.090 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)CCOC2)C1 ZINC001033543346 726134939 /nfs/dbraw/zinc/13/49/39/726134939.db2.gz KJXVSPXTENEPJZ-OCCSQVGLSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)CCOC2)C1 ZINC001033543346 726134941 /nfs/dbraw/zinc/13/49/41/726134941.db2.gz KJXVSPXTENEPJZ-OCCSQVGLSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001015723393 726178766 /nfs/dbraw/zinc/17/87/66/726178766.db2.gz JFQRZTOWTWZIQD-JLLWLGSASA-N 1 2 272.776 1.354 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001015723393 726178767 /nfs/dbraw/zinc/17/87/67/726178767.db2.gz JFQRZTOWTWZIQD-JLLWLGSASA-N 1 2 272.776 1.354 20 30 CDEDLO CO[C@H]1CC[N@H+](Cn2cccc(C#N)c2=O)CC1(C)C ZINC000840125937 726202855 /nfs/dbraw/zinc/20/28/55/726202855.db2.gz RHZILZMAELWHBK-ZDUSSCGKSA-N 1 2 275.352 1.424 20 30 CDEDLO CO[C@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)CC1(C)C ZINC000840125937 726202857 /nfs/dbraw/zinc/20/28/57/726202857.db2.gz RHZILZMAELWHBK-ZDUSSCGKSA-N 1 2 275.352 1.424 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCOC2)C1 ZINC001046175796 726214204 /nfs/dbraw/zinc/21/42/04/726214204.db2.gz ACIMTAGSJIPHKT-DGCLKSJQSA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCOC2)C1 ZINC001046175796 726214207 /nfs/dbraw/zinc/21/42/07/726214207.db2.gz ACIMTAGSJIPHKT-DGCLKSJQSA-N 1 2 272.776 1.356 20 30 CDEDLO C#CCOCC[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000851717221 726215413 /nfs/dbraw/zinc/21/54/13/726215413.db2.gz QVAMANFXBYZCPO-UHFFFAOYSA-N 1 2 290.338 1.233 20 30 CDEDLO C=CC[N@H+]1CC[C@](C)(NC(=O)c2cccc3nc[nH]c32)C1 ZINC001046723779 726221489 /nfs/dbraw/zinc/22/14/89/726221489.db2.gz FOUQIPNIKSSWSR-INIZCTEOSA-N 1 2 284.363 1.943 20 30 CDEDLO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2cccc3nc[nH]c32)C1 ZINC001046723779 726221490 /nfs/dbraw/zinc/22/14/90/726221490.db2.gz FOUQIPNIKSSWSR-INIZCTEOSA-N 1 2 284.363 1.943 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C)c1C ZINC001032761291 726237333 /nfs/dbraw/zinc/23/73/33/726237333.db2.gz NPNVPUVYSKXSBL-GJZGRUSLSA-N 1 2 268.360 1.835 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C)c1C ZINC001032761291 726237336 /nfs/dbraw/zinc/23/73/36/726237336.db2.gz NPNVPUVYSKXSBL-GJZGRUSLSA-N 1 2 268.360 1.835 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2[nH]c(C)nc2C)C1 ZINC001046628542 726269224 /nfs/dbraw/zinc/26/92/24/726269224.db2.gz XXYGONBBEDLCSF-CQSZACIVSA-N 1 2 296.802 1.973 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2[nH]c(C)nc2C)C1 ZINC001046628542 726269225 /nfs/dbraw/zinc/26/92/25/726269225.db2.gz XXYGONBBEDLCSF-CQSZACIVSA-N 1 2 296.802 1.973 20 30 CDEDLO C=CC[N@@H+]1CCCO[C@H](CNC(=O)c2[nH]nc(C)c2C)C1 ZINC001073558216 726285666 /nfs/dbraw/zinc/28/56/66/726285666.db2.gz CQIKXYUMLRJIHK-CYBMUJFWSA-N 1 2 292.383 1.033 20 30 CDEDLO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2[nH]nc(C)c2C)C1 ZINC001073558216 726285667 /nfs/dbraw/zinc/28/56/67/726285667.db2.gz CQIKXYUMLRJIHK-CYBMUJFWSA-N 1 2 292.383 1.033 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1nc(C)c[nH]1 ZINC001028193619 726299348 /nfs/dbraw/zinc/29/93/48/726299348.db2.gz WXYVLMINYPTVLZ-NSHDSACASA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1nc(C)c[nH]1 ZINC001028193619 726299349 /nfs/dbraw/zinc/29/93/49/726299349.db2.gz WXYVLMINYPTVLZ-NSHDSACASA-N 1 2 282.775 1.665 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C1CC(C)C1 ZINC001050865602 726310543 /nfs/dbraw/zinc/31/05/43/726310543.db2.gz MIWUBLKJNLEFPT-RUXDESIVSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CC(C)C1 ZINC001050865602 726310545 /nfs/dbraw/zinc/31/05/45/726310545.db2.gz MIWUBLKJNLEFPT-RUXDESIVSA-N 1 2 266.385 1.426 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1oc(C)cc1C ZINC001038144838 726340421 /nfs/dbraw/zinc/34/04/21/726340421.db2.gz FARXRSNGVYKTRA-CYBMUJFWSA-N 1 2 260.337 1.724 20 30 CDEDLO Cc1cc(NC[C@H](O)CN(C)CCC#N)ccc1[NH+](C)C ZINC000819407881 726354105 /nfs/dbraw/zinc/35/41/05/726354105.db2.gz FBQPQDHPXSJXFT-HNNXBMFYSA-N 1 2 290.411 1.679 20 30 CDEDLO Cc1cc(NC(=O)N2CCC[C@H](C#N)C2)c(C)c[nH+]1 ZINC000930628078 726369794 /nfs/dbraw/zinc/36/97/94/726369794.db2.gz XHZYVKHHMJZUPW-GFCCVEGCSA-N 1 2 258.325 1.888 20 30 CDEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)C2(C)CC2)CC1 ZINC001070965819 726372904 /nfs/dbraw/zinc/37/29/04/726372904.db2.gz VPJNPOSUNZVDRR-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)C2(C)CC2)CC1 ZINC001070965819 726372905 /nfs/dbraw/zinc/37/29/05/726372905.db2.gz VPJNPOSUNZVDRR-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)cc1 ZINC001032746664 726380379 /nfs/dbraw/zinc/38/03/79/726380379.db2.gz YYZLPSQLTQBEHY-KBPBESRZSA-N 1 2 274.751 1.872 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)cc1 ZINC001032746664 726380380 /nfs/dbraw/zinc/38/03/80/726380380.db2.gz YYZLPSQLTQBEHY-KBPBESRZSA-N 1 2 274.751 1.872 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001010806385 726391398 /nfs/dbraw/zinc/39/13/98/726391398.db2.gz PDYVOYKDFBCOLD-UTLUCORTSA-N 1 2 278.730 1.831 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001010806385 726391400 /nfs/dbraw/zinc/39/14/00/726391400.db2.gz PDYVOYKDFBCOLD-UTLUCORTSA-N 1 2 278.730 1.831 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)o1 ZINC001038836057 726397183 /nfs/dbraw/zinc/39/71/83/726397183.db2.gz KKDUFGUKPOBVIC-LLVKDONJSA-N 1 2 262.309 1.116 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)o1 ZINC001038836057 726397187 /nfs/dbraw/zinc/39/71/87/726397187.db2.gz KKDUFGUKPOBVIC-LLVKDONJSA-N 1 2 262.309 1.116 20 30 CDEDLO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001014430783 726408957 /nfs/dbraw/zinc/40/89/57/726408957.db2.gz GSDHVTVPKWGARJ-QWHCGFSZSA-N 1 2 286.379 1.043 20 30 CDEDLO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001014430783 726408960 /nfs/dbraw/zinc/40/89/60/726408960.db2.gz GSDHVTVPKWGARJ-QWHCGFSZSA-N 1 2 286.379 1.043 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2ccc(C)n2)C1 ZINC001008572054 726415912 /nfs/dbraw/zinc/41/59/12/726415912.db2.gz WARKQLHIIRURNX-CYBMUJFWSA-N 1 2 296.802 1.525 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ccc(C)n2)C1 ZINC001008572054 726415914 /nfs/dbraw/zinc/41/59/14/726415914.db2.gz WARKQLHIIRURNX-CYBMUJFWSA-N 1 2 296.802 1.525 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1scnc1C1CC1 ZINC000884318965 726805196 /nfs/dbraw/zinc/80/51/96/726805196.db2.gz JZJDEKOLJQJMGQ-VIFPVBQESA-N 1 2 295.364 1.406 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001054977053 726816879 /nfs/dbraw/zinc/81/68/79/726816879.db2.gz SXHKFGSBOKKYRV-PWSUYJOCSA-N 1 2 294.424 1.687 20 30 CDEDLO CCCN(CCC)C(=O)CO[NH+]=C(N)c1ccccc1 ZINC000178151236 726820503 /nfs/dbraw/zinc/82/05/03/726820503.db2.gz DPFFWAQZELYUTA-UHFFFAOYSA-N 1 2 277.368 1.972 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001043392328 726824329 /nfs/dbraw/zinc/82/43/29/726824329.db2.gz FBEWUZOIYSCTJB-SEBNEYGDSA-N 1 2 276.380 1.129 20 30 CDEDLO C[C@@H]1CN(CC#N)CC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000942486388 726835803 /nfs/dbraw/zinc/83/58/03/726835803.db2.gz NDUNWLFRJUHPEZ-CHWSQXEVSA-N 1 2 297.362 1.298 20 30 CDEDLO Cc1nc(C#N)c(N=NCc2c[nH+]c(N(C)C)n2C)o1 ZINC000811638984 726859950 /nfs/dbraw/zinc/85/99/50/726859950.db2.gz KJFVFUICOQWHMD-UHFFFAOYSA-N 1 2 273.300 1.100 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C2CC2)on1 ZINC001032545330 726873097 /nfs/dbraw/zinc/87/30/97/726873097.db2.gz BYKGTWKUCNVGDT-STQMWFEESA-N 1 2 285.347 1.474 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C2CC2)on1 ZINC001032545330 726873098 /nfs/dbraw/zinc/87/30/98/726873098.db2.gz BYKGTWKUCNVGDT-STQMWFEESA-N 1 2 285.347 1.474 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001046118715 726876417 /nfs/dbraw/zinc/87/64/17/726876417.db2.gz NAPNCWGFCSYEHU-AWEZNQCLSA-N 1 2 295.770 1.267 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001046118715 726876418 /nfs/dbraw/zinc/87/64/18/726876418.db2.gz NAPNCWGFCSYEHU-AWEZNQCLSA-N 1 2 295.770 1.267 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)cncc1C ZINC001038521890 726892178 /nfs/dbraw/zinc/89/21/78/726892178.db2.gz ZMATZYQHXYOBLG-CQSZACIVSA-N 1 2 271.364 1.526 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)cncc1C ZINC001038521890 726892179 /nfs/dbraw/zinc/89/21/79/726892179.db2.gz ZMATZYQHXYOBLG-CQSZACIVSA-N 1 2 271.364 1.526 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(C(C)(C)C)nc1 ZINC001039089484 726901681 /nfs/dbraw/zinc/90/16/81/726901681.db2.gz ZJGXNUGNIPUAKF-ZDUSSCGKSA-N 1 2 286.379 1.211 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(C(C)(C)C)nc1 ZINC001039089484 726901685 /nfs/dbraw/zinc/90/16/85/726901685.db2.gz ZJGXNUGNIPUAKF-ZDUSSCGKSA-N 1 2 286.379 1.211 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)n2cccc2)C1 ZINC001010567138 726923707 /nfs/dbraw/zinc/92/37/07/726923707.db2.gz NDANWHYDKHWFLF-CHWSQXEVSA-N 1 2 281.787 1.992 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)n2cccc2)C1 ZINC001010567138 726923710 /nfs/dbraw/zinc/92/37/10/726923710.db2.gz NDANWHYDKHWFLF-CHWSQXEVSA-N 1 2 281.787 1.992 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2c1CCCC2 ZINC001027994930 726930443 /nfs/dbraw/zinc/93/04/43/726930443.db2.gz BSXALAAQFPWXLK-GFCCVEGCSA-N 1 2 286.379 1.116 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2c1CCCC2 ZINC001027994930 726930445 /nfs/dbraw/zinc/93/04/45/726930445.db2.gz BSXALAAQFPWXLK-GFCCVEGCSA-N 1 2 286.379 1.116 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccoc2)C1 ZINC001010732324 726936933 /nfs/dbraw/zinc/93/69/33/726936933.db2.gz MTBUWILACZVYMT-LBPRGKRZSA-N 1 2 268.744 1.765 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccoc2)C1 ZINC001010732324 726936935 /nfs/dbraw/zinc/93/69/35/726936935.db2.gz MTBUWILACZVYMT-LBPRGKRZSA-N 1 2 268.744 1.765 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933394655 726964569 /nfs/dbraw/zinc/96/45/69/726964569.db2.gz RVQMODBDLKBAFM-UHFFFAOYSA-N 1 2 277.368 1.644 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933394655 726964572 /nfs/dbraw/zinc/96/45/72/726964572.db2.gz RVQMODBDLKBAFM-UHFFFAOYSA-N 1 2 277.368 1.644 20 30 CDEDLO C=CC(C)(C)CC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000884649424 726968433 /nfs/dbraw/zinc/96/84/33/726968433.db2.gz CJAKBVAKPJSPKI-BETUJISGSA-N 1 2 267.369 1.995 20 30 CDEDLO C=CC(C)(C)CC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000884649424 726968438 /nfs/dbraw/zinc/96/84/38/726968438.db2.gz CJAKBVAKPJSPKI-BETUJISGSA-N 1 2 267.369 1.995 20 30 CDEDLO Cc1nc([C@@H](C)O[NH+]=C(N)c2ccc3c(c2)CCO3)no1 ZINC000842035671 726984996 /nfs/dbraw/zinc/98/49/96/726984996.db2.gz OJVSZHAZFFRRMU-MRVPVSSYSA-N 1 2 288.307 1.711 20 30 CDEDLO Cc1ccc(N[C@H](C)C[NH+]2CCOCC2)c(C#N)n1 ZINC000881809381 726995015 /nfs/dbraw/zinc/99/50/15/726995015.db2.gz YRORSTARHOQXRJ-GFCCVEGCSA-N 1 2 260.341 1.394 20 30 CDEDLO C=CCn1cc(CNc2cc(CC)[nH+]c(CC)n2)nn1 ZINC000894270126 727016033 /nfs/dbraw/zinc/01/60/33/727016033.db2.gz BVDRJDJQTNOSBB-UHFFFAOYSA-N 1 2 272.356 1.991 20 30 CDEDLO C#C[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)C(C)(C)C ZINC000868370316 727039342 /nfs/dbraw/zinc/03/93/42/727039342.db2.gz GFMJACURTOURPG-FMFIFOJESA-N 1 2 264.369 1.039 20 30 CDEDLO C=C[C@@H](C)ONC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000845626065 727070015 /nfs/dbraw/zinc/07/00/15/727070015.db2.gz QOYZBIMWSNOIGT-ZJUUUORDSA-N 1 2 250.302 1.003 20 30 CDEDLO N#Cc1ccc(NC(=O)C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000715419139 727072343 /nfs/dbraw/zinc/07/23/43/727072343.db2.gz WTBQRPKTNFWJGP-TXEJJXNPSA-N 1 2 277.274 1.694 20 30 CDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000715419139 727072345 /nfs/dbraw/zinc/07/23/45/727072345.db2.gz WTBQRPKTNFWJGP-TXEJJXNPSA-N 1 2 277.274 1.694 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000932722724 727087804 /nfs/dbraw/zinc/08/78/04/727087804.db2.gz GBIGFYKVRBFXBF-KGLIPLIRSA-N 1 2 267.417 1.341 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn(CCC)c2C)C1 ZINC001044087288 727089855 /nfs/dbraw/zinc/08/98/55/727089855.db2.gz ZDOJSTCVLVPOBL-UHFFFAOYSA-N 1 2 290.411 1.934 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(-c3ccc(C)o3)n[nH]2)C1 ZINC001031391644 727101577 /nfs/dbraw/zinc/10/15/77/727101577.db2.gz RZBVUTHLZDPSDP-UHFFFAOYSA-N 1 2 298.346 1.415 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]ccc1C ZINC001017522535 727121909 /nfs/dbraw/zinc/12/19/09/727121909.db2.gz ASQOJECQEPYRSH-BETUJISGSA-N 1 2 257.337 1.245 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]ccc1C ZINC001017522535 727121920 /nfs/dbraw/zinc/12/19/20/727121920.db2.gz ASQOJECQEPYRSH-BETUJISGSA-N 1 2 257.337 1.245 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[N@H+](Cc2cncs2)CC1 ZINC000980850443 727145032 /nfs/dbraw/zinc/14/50/32/727145032.db2.gz UEDPQJYSCPXWTR-NSHDSACASA-N 1 2 278.381 1.337 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[N@@H+](Cc2cncs2)CC1 ZINC000980850443 727145038 /nfs/dbraw/zinc/14/50/38/727145038.db2.gz UEDPQJYSCPXWTR-NSHDSACASA-N 1 2 278.381 1.337 20 30 CDEDLO N#Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCF)c[nH]1 ZINC001029277393 727148244 /nfs/dbraw/zinc/14/82/44/727148244.db2.gz IGXHBCXKDHPBRV-BETUJISGSA-N 1 2 276.315 1.145 20 30 CDEDLO N#Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCF)c[nH]1 ZINC001029277393 727148248 /nfs/dbraw/zinc/14/82/48/727148248.db2.gz IGXHBCXKDHPBRV-BETUJISGSA-N 1 2 276.315 1.145 20 30 CDEDLO C=CCn1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CCF)nn1 ZINC001024699638 727172673 /nfs/dbraw/zinc/17/26/73/727172673.db2.gz QQUVOWZFJPIUMO-LBPRGKRZSA-N 1 2 295.362 1.018 20 30 CDEDLO C=CCn1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCF)nn1 ZINC001024699638 727172683 /nfs/dbraw/zinc/17/26/83/727172683.db2.gz QQUVOWZFJPIUMO-LBPRGKRZSA-N 1 2 295.362 1.018 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[C@@H]1CCC[C@@H](C)C1 ZINC000884134631 727192549 /nfs/dbraw/zinc/19/25/49/727192549.db2.gz NIVCYOJDKFMURZ-RDBSUJKOSA-N 1 2 296.411 1.766 20 30 CDEDLO Cc1ccccc1C[NH+]1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001030234726 727195561 /nfs/dbraw/zinc/19/55/61/727195561.db2.gz DHDUJHIRSXVTNG-UHFFFAOYSA-N 1 2 294.358 1.809 20 30 CDEDLO CC(C)C#CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000831071855 727245451 /nfs/dbraw/zinc/24/54/51/727245451.db2.gz JBZWJYXOCXEUPK-ZDUSSCGKSA-N 1 2 257.337 1.436 20 30 CDEDLO N#CCNC1CCC(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001026515280 727267715 /nfs/dbraw/zinc/26/77/15/727267715.db2.gz LTPRSABQHRMTPM-UHFFFAOYSA-N 1 2 297.362 1.717 20 30 CDEDLO C=CCn1cc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCF)C2)nn1 ZINC001071883698 727270226 /nfs/dbraw/zinc/27/02/26/727270226.db2.gz PLCAIBLOSARFHX-VXGBXAGGSA-N 1 2 295.362 1.016 20 30 CDEDLO C=CCn1cc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCF)C2)nn1 ZINC001071883698 727270230 /nfs/dbraw/zinc/27/02/30/727270230.db2.gz PLCAIBLOSARFHX-VXGBXAGGSA-N 1 2 295.362 1.016 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001032437825 727271165 /nfs/dbraw/zinc/27/11/65/727271165.db2.gz SHYNNOVWCZRSNP-AVGNSLFASA-N 1 2 282.334 1.730 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001032437825 727271179 /nfs/dbraw/zinc/27/11/79/727271179.db2.gz SHYNNOVWCZRSNP-AVGNSLFASA-N 1 2 282.334 1.730 20 30 CDEDLO CNC(=S)N(C)N=C1CC[N@H+](Cc2ccccc2)C1 ZINC000841646892 727319611 /nfs/dbraw/zinc/31/96/11/727319611.db2.gz MEPNNNGZPHFAQO-UHFFFAOYSA-N 1 2 276.409 1.684 20 30 CDEDLO CNC(=S)N(C)N=C1CC[N@@H+](Cc2ccccc2)C1 ZINC000841646892 727319615 /nfs/dbraw/zinc/31/96/15/727319615.db2.gz MEPNNNGZPHFAQO-UHFFFAOYSA-N 1 2 276.409 1.684 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc(C)c1 ZINC001018067212 727320136 /nfs/dbraw/zinc/32/01/36/727320136.db2.gz SJUMFKGKMQCMDC-OKILXGFUSA-N 1 2 274.389 1.979 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc(C)c1 ZINC001018067212 727320141 /nfs/dbraw/zinc/32/01/41/727320141.db2.gz SJUMFKGKMQCMDC-OKILXGFUSA-N 1 2 274.389 1.979 20 30 CDEDLO C#CCOCCOC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835226675 727329634 /nfs/dbraw/zinc/32/96/34/727329634.db2.gz HXOPKDASIKGOFK-UHFFFAOYSA-N 1 2 284.315 1.738 20 30 CDEDLO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2[nH]nnc2c1 ZINC001028311336 727336594 /nfs/dbraw/zinc/33/65/94/727336594.db2.gz LYIHTTJLNRAMES-ZDUSSCGKSA-N 1 2 299.378 1.728 20 30 CDEDLO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2[nH]nnc2c1 ZINC001028311336 727336596 /nfs/dbraw/zinc/33/65/96/727336596.db2.gz LYIHTTJLNRAMES-ZDUSSCGKSA-N 1 2 299.378 1.728 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c([nH]1)CCCC2 ZINC001038888866 727363118 /nfs/dbraw/zinc/36/31/18/727363118.db2.gz GVVZTVAMQXPMQW-AWEZNQCLSA-N 1 2 285.391 1.721 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2c([nH]1)CCCC2 ZINC001038888866 727363120 /nfs/dbraw/zinc/36/31/20/727363120.db2.gz GVVZTVAMQXPMQW-AWEZNQCLSA-N 1 2 285.391 1.721 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001031061586 727388971 /nfs/dbraw/zinc/38/89/71/727388971.db2.gz CJYYLCDEGQVNPH-CVEARBPZSA-N 1 2 268.360 1.614 20 30 CDEDLO C[C@@H]1[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CCCN1CC#N ZINC000993506938 727392232 /nfs/dbraw/zinc/39/22/32/727392232.db2.gz PBZKIBVKCWSCRJ-DGCLKSJQSA-N 1 2 297.362 1.669 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccc(=O)[nH]2)C1 ZINC001042578072 727393116 /nfs/dbraw/zinc/39/31/16/727393116.db2.gz GVYFMMQOZFWBIO-UHFFFAOYSA-N 1 2 261.325 1.120 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnc3n[nH]cc3c2)C1 ZINC001043035042 727393413 /nfs/dbraw/zinc/39/34/13/727393413.db2.gz WNWIMKAAEAUGGO-UHFFFAOYSA-N 1 2 285.351 1.290 20 30 CDEDLO COc1c(F)cc(F)cc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000819460147 727395747 /nfs/dbraw/zinc/39/57/47/727395747.db2.gz FQFXUAUDZMHXLA-NSHDSACASA-N 1 2 299.321 1.592 20 30 CDEDLO COc1c(F)cc(F)cc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000819460147 727395749 /nfs/dbraw/zinc/39/57/49/727395749.db2.gz FQFXUAUDZMHXLA-NSHDSACASA-N 1 2 299.321 1.592 20 30 CDEDLO C#CCCN(CC(F)(F)F)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000832276127 727400028 /nfs/dbraw/zinc/40/00/28/727400028.db2.gz OAIGGGZNTJFECC-LLVKDONJSA-N 1 2 299.296 1.860 20 30 CDEDLO CCc1ncc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)o1 ZINC000929270966 727407087 /nfs/dbraw/zinc/40/70/87/727407087.db2.gz WSJRDNYABMHJQR-UHFFFAOYSA-N 1 2 297.362 1.826 20 30 CDEDLO Cc1ccnc(NC(=O)C[N@@H+](C)CCO[C@H](C)C#N)c1 ZINC000801918327 727408432 /nfs/dbraw/zinc/40/84/32/727408432.db2.gz JJDNGUVZBAFLLM-GFCCVEGCSA-N 1 2 276.340 1.189 20 30 CDEDLO Cc1ccnc(NC(=O)C[N@H+](C)CCO[C@H](C)C#N)c1 ZINC000801918327 727408434 /nfs/dbraw/zinc/40/84/34/727408434.db2.gz JJDNGUVZBAFLLM-GFCCVEGCSA-N 1 2 276.340 1.189 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2ccccc2c1C ZINC001038534070 727410323 /nfs/dbraw/zinc/41/03/23/727410323.db2.gz VCXHDHODOONXSA-AWEZNQCLSA-N 1 2 293.370 1.981 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2ccccc2c1C ZINC001038534070 727410326 /nfs/dbraw/zinc/41/03/26/727410326.db2.gz VCXHDHODOONXSA-AWEZNQCLSA-N 1 2 293.370 1.981 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001030641212 727412816 /nfs/dbraw/zinc/41/28/16/727412816.db2.gz VLIMNCFVHVKRLT-UHFFFAOYSA-N 1 2 281.359 1.914 20 30 CDEDLO N#CCOc1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000380720014 727412922 /nfs/dbraw/zinc/41/29/22/727412922.db2.gz QPIFILLFFMUREJ-UHFFFAOYSA-N 1 2 270.292 1.814 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2c(C)noc2C(F)F)C1 ZINC000923572868 727413376 /nfs/dbraw/zinc/41/33/76/727413376.db2.gz LRAVQDDREHWRBV-JTQLQIEISA-N 1 2 297.305 1.748 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2c(C)noc2C(F)F)C1 ZINC000923572868 727413379 /nfs/dbraw/zinc/41/33/79/727413379.db2.gz LRAVQDDREHWRBV-JTQLQIEISA-N 1 2 297.305 1.748 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(C)s1 ZINC001038793328 727425388 /nfs/dbraw/zinc/42/53/88/727425388.db2.gz XKKUSUUXVPEFGD-BFHYXJOUSA-N 1 2 288.416 1.984 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(C)s1 ZINC001038793328 727425391 /nfs/dbraw/zinc/42/53/91/727425391.db2.gz XKKUSUUXVPEFGD-BFHYXJOUSA-N 1 2 288.416 1.984 20 30 CDEDLO CC(C)OC[C@@H]1C[N@H+](CCO[C@H](C)C#N)CCO1 ZINC000801942852 727435824 /nfs/dbraw/zinc/43/58/24/727435824.db2.gz WRRFZPOJRWSPAQ-OLZOCXBDSA-N 1 2 256.346 1.041 20 30 CDEDLO CC(C)OC[C@@H]1C[N@@H+](CCO[C@H](C)C#N)CCO1 ZINC000801942852 727435827 /nfs/dbraw/zinc/43/58/27/727435827.db2.gz WRRFZPOJRWSPAQ-OLZOCXBDSA-N 1 2 256.346 1.041 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039068378 727440826 /nfs/dbraw/zinc/44/08/26/727440826.db2.gz UFAUZKNLRVMMTD-CYBMUJFWSA-N 1 2 299.334 1.286 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039068378 727440827 /nfs/dbraw/zinc/44/08/27/727440827.db2.gz UFAUZKNLRVMMTD-CYBMUJFWSA-N 1 2 299.334 1.286 20 30 CDEDLO CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCN(CC#N)C1 ZINC001033192266 727445185 /nfs/dbraw/zinc/44/51/85/727445185.db2.gz PJPLEMGDRJTNHC-GFCCVEGCSA-N 1 2 283.335 1.233 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c2ccc(C)cc21 ZINC001032496610 727446175 /nfs/dbraw/zinc/44/61/75/727446175.db2.gz JXKNSIFXYGTLKB-STQMWFEESA-N 1 2 294.358 1.403 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c2ccc(C)cc21 ZINC001032496610 727446176 /nfs/dbraw/zinc/44/61/76/727446176.db2.gz JXKNSIFXYGTLKB-STQMWFEESA-N 1 2 294.358 1.403 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)ccn1 ZINC001017784950 727447598 /nfs/dbraw/zinc/44/75/98/727447598.db2.gz ONGHLNAFJOISPW-BETUJISGSA-N 1 2 287.363 1.565 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)ccn1 ZINC001017784950 727447602 /nfs/dbraw/zinc/44/76/02/727447602.db2.gz ONGHLNAFJOISPW-BETUJISGSA-N 1 2 287.363 1.565 20 30 CDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000853621081 727450310 /nfs/dbraw/zinc/45/03/10/727450310.db2.gz PFNLXDNCJGDVOC-INIZCTEOSA-N 1 2 294.395 1.337 20 30 CDEDLO C#CCC[N@H+](CCOC)CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000853621081 727450312 /nfs/dbraw/zinc/45/03/12/727450312.db2.gz PFNLXDNCJGDVOC-INIZCTEOSA-N 1 2 294.395 1.337 20 30 CDEDLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@H+]1CCOc1ccccc1C#N ZINC000930832481 727457852 /nfs/dbraw/zinc/45/78/52/727457852.db2.gz JEFOFBTXPZBFKS-RWMBFGLXSA-N 1 2 287.363 1.534 20 30 CDEDLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@@H+]1CCOc1ccccc1C#N ZINC000930832481 727457853 /nfs/dbraw/zinc/45/78/53/727457853.db2.gz JEFOFBTXPZBFKS-RWMBFGLXSA-N 1 2 287.363 1.534 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cncc(Cl)c2)C1 ZINC001044048653 727479004 /nfs/dbraw/zinc/47/90/04/727479004.db2.gz GXVLRUSSZGNMIC-UHFFFAOYSA-N 1 2 277.755 1.515 20 30 CDEDLO CC#CC[N@@H+]1C[C@H](NC(=O)c2cnns2)CC[C@@H]1C ZINC001071365573 727485014 /nfs/dbraw/zinc/48/50/14/727485014.db2.gz ARUNCHXSAQVECM-WDEREUQCSA-N 1 2 278.381 1.144 20 30 CDEDLO CC#CC[N@H+]1C[C@H](NC(=O)c2cnns2)CC[C@@H]1C ZINC001071365573 727485015 /nfs/dbraw/zinc/48/50/15/727485015.db2.gz ARUNCHXSAQVECM-WDEREUQCSA-N 1 2 278.381 1.144 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2ccc(OC)cc2[nH]1 ZINC001038585093 727796801 /nfs/dbraw/zinc/79/68/01/727796801.db2.gz MWTWUGJYHJUKQN-CYBMUJFWSA-N 1 2 297.358 1.614 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2ccc(OC)cc2[nH]1 ZINC001038585093 727796802 /nfs/dbraw/zinc/79/68/02/727796802.db2.gz MWTWUGJYHJUKQN-CYBMUJFWSA-N 1 2 297.358 1.614 20 30 CDEDLO CC(=O)[C@](C#N)(CC[N@@H+](C)[C@@H]1CCNC1=O)c1ccccc1 ZINC000878307098 727812722 /nfs/dbraw/zinc/81/27/22/727812722.db2.gz KLOLKPPKPREIGP-NVXWUHKLSA-N 1 2 299.374 1.247 20 30 CDEDLO CC(=O)[C@](C#N)(CC[N@H+](C)[C@@H]1CCNC1=O)c1ccccc1 ZINC000878307098 727812723 /nfs/dbraw/zinc/81/27/23/727812723.db2.gz KLOLKPPKPREIGP-NVXWUHKLSA-N 1 2 299.374 1.247 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC001038794208 727814696 /nfs/dbraw/zinc/81/46/96/727814696.db2.gz DVXOGPJMTYOEDR-HYVNUMGLSA-N 1 2 298.386 1.622 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC001038794208 727814698 /nfs/dbraw/zinc/81/46/98/727814698.db2.gz DVXOGPJMTYOEDR-HYVNUMGLSA-N 1 2 298.386 1.622 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C)C[C@H]1CC ZINC000884143730 727834310 /nfs/dbraw/zinc/83/43/10/727834310.db2.gz PNUQHAVOGREERS-UTUOFQBUSA-N 1 2 268.357 1.080 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc(CC)s2)[C@@H]1C ZINC000994504162 727837587 /nfs/dbraw/zinc/83/75/87/727837587.db2.gz FNTZSIZKKWLIJO-NWDGAFQWSA-N 1 2 291.420 1.921 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc(CC)s2)[C@@H]1C ZINC000994504162 727837588 /nfs/dbraw/zinc/83/75/88/727837588.db2.gz FNTZSIZKKWLIJO-NWDGAFQWSA-N 1 2 291.420 1.921 20 30 CDEDLO C[C@H](CO)N(C)N=C1CCN(c2cccc[nH+]2)CC1 ZINC000842542863 727884604 /nfs/dbraw/zinc/88/46/04/727884604.db2.gz FIGPFKGRYAUZBN-GFCCVEGCSA-N 1 2 262.357 1.350 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1C ZINC001017533485 727889954 /nfs/dbraw/zinc/88/99/54/727889954.db2.gz NRRBHIYGTUTWKS-GASCZTMLSA-N 1 2 283.375 1.702 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1C ZINC001017533485 727889956 /nfs/dbraw/zinc/88/99/56/727889956.db2.gz NRRBHIYGTUTWKS-GASCZTMLSA-N 1 2 283.375 1.702 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccnn1CC ZINC001027845426 727890048 /nfs/dbraw/zinc/89/00/48/727890048.db2.gz PYWXCXUTYUAONO-GFCCVEGCSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnn1CC ZINC001027845426 727890049 /nfs/dbraw/zinc/89/00/49/727890049.db2.gz PYWXCXUTYUAONO-GFCCVEGCSA-N 1 2 296.802 1.850 20 30 CDEDLO COC(=O)C1(C#N)CCN(Cc2[nH]c(C)c(C)[nH+]2)CC1 ZINC000862386002 727896136 /nfs/dbraw/zinc/89/61/36/727896136.db2.gz SGOCJCBOMFYCQN-UHFFFAOYSA-N 1 2 276.340 1.305 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCc1ccccn1)Cc1ccccc1 ZINC000796639201 727902580 /nfs/dbraw/zinc/90/25/80/727902580.db2.gz JFNPTSIDEMORHX-UHFFFAOYSA-N 1 2 293.370 1.833 20 30 CDEDLO C#CC[N@H+](CC(=O)NCc1ccccn1)Cc1ccccc1 ZINC000796639201 727902584 /nfs/dbraw/zinc/90/25/84/727902584.db2.gz JFNPTSIDEMORHX-UHFFFAOYSA-N 1 2 293.370 1.833 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCO[C@@H]2CC)C1 ZINC001042883905 727903438 /nfs/dbraw/zinc/90/34/38/727903438.db2.gz DHWZZPAQZILSBZ-HUUCEWRRSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000884170843 727927718 /nfs/dbraw/zinc/92/77/18/727927718.db2.gz HGESBUBLTVZDDA-QWRGUYRKSA-N 1 2 268.357 1.080 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn(CCC)c2)C1 ZINC001043989886 727975184 /nfs/dbraw/zinc/97/51/84/727975184.db2.gz MEIMLKVEPOKUIG-UHFFFAOYSA-N 1 2 276.384 1.625 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)c3cnc(C)[nH]3)C[C@H]2C1 ZINC001048727141 727984531 /nfs/dbraw/zinc/98/45/31/727984531.db2.gz YOEVIMGFYJZQSA-TXEJJXNPSA-N 1 2 294.786 1.474 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)c3cnc(C)[nH]3)C[C@H]2C1 ZINC001048727141 727984539 /nfs/dbraw/zinc/98/45/39/727984539.db2.gz YOEVIMGFYJZQSA-TXEJJXNPSA-N 1 2 294.786 1.474 20 30 CDEDLO CC[C@H](C)[C@H](C(=O)OC)[NH+]1CCN(CCC#N)CC1 ZINC000930116697 727988522 /nfs/dbraw/zinc/98/85/22/727988522.db2.gz OMRKPNBSVFHBQX-QWHCGFSZSA-N 1 2 267.373 1.105 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1 ZINC001032254825 728026770 /nfs/dbraw/zinc/02/67/70/728026770.db2.gz ABYIPRMRNIFSCZ-GJZGRUSLSA-N 1 2 254.333 1.609 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1 ZINC001032254825 728026774 /nfs/dbraw/zinc/02/67/74/728026774.db2.gz ABYIPRMRNIFSCZ-GJZGRUSLSA-N 1 2 254.333 1.609 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3cnccc32)C1 ZINC001031388539 728026791 /nfs/dbraw/zinc/02/67/91/728026791.db2.gz DSFWJIPACBTAJH-UHFFFAOYSA-N 1 2 279.343 1.672 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CCNc1ncc(C#N)cc1F ZINC000872772920 728041906 /nfs/dbraw/zinc/04/19/06/728041906.db2.gz CKJQPBVDOSVYGU-LBPRGKRZSA-N 1 2 278.331 1.615 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CCNc1ncc(C#N)cc1F ZINC000872772920 728041911 /nfs/dbraw/zinc/04/19/11/728041911.db2.gz CKJQPBVDOSVYGU-LBPRGKRZSA-N 1 2 278.331 1.615 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cncn1C ZINC001024537406 728051166 /nfs/dbraw/zinc/05/11/66/728051166.db2.gz FDXSCESFEWGQJP-GFCCVEGCSA-N 1 2 296.802 1.757 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cncn1C ZINC001024537406 728051189 /nfs/dbraw/zinc/05/11/89/728051189.db2.gz FDXSCESFEWGQJP-GFCCVEGCSA-N 1 2 296.802 1.757 20 30 CDEDLO C=CCONC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000838710285 728052035 /nfs/dbraw/zinc/05/20/35/728052035.db2.gz VXWSSTXYOTZPOG-LLVKDONJSA-N 1 2 264.329 1.427 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(N)=O ZINC001029454179 728056338 /nfs/dbraw/zinc/05/63/38/728056338.db2.gz UDDIJVWWTOPPPV-JFILPPLUSA-N 1 2 293.411 1.138 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(N)=O ZINC001029454179 728056345 /nfs/dbraw/zinc/05/63/45/728056345.db2.gz UDDIJVWWTOPPPV-JFILPPLUSA-N 1 2 293.411 1.138 20 30 CDEDLO C#CCCCN1CC[N@H+](CCCC#C)[C@@H](c2cnn(C)c2)C1 ZINC000784476506 728061745 /nfs/dbraw/zinc/06/17/45/728061745.db2.gz UZDWOPSKFYPTTC-GOSISDBHSA-N 1 2 298.434 1.906 20 30 CDEDLO C#CCCCN1CC[N@@H+](CCCC#C)[C@@H](c2cnn(C)c2)C1 ZINC000784476506 728061747 /nfs/dbraw/zinc/06/17/47/728061747.db2.gz UZDWOPSKFYPTTC-GOSISDBHSA-N 1 2 298.434 1.906 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc(C3CC3)o2)C1 ZINC001042956896 728077910 /nfs/dbraw/zinc/07/79/10/728077910.db2.gz PMJVHQJPIHUTMI-UHFFFAOYSA-N 1 2 273.336 1.332 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2n[nH]cc2C)CC1 ZINC001000654109 728084231 /nfs/dbraw/zinc/08/42/31/728084231.db2.gz IGXPPZKLJCGMFX-UHFFFAOYSA-N 1 2 294.786 1.833 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2n[nH]cc2C)CC1 ZINC001000654109 728084235 /nfs/dbraw/zinc/08/42/35/728084235.db2.gz IGXPPZKLJCGMFX-UHFFFAOYSA-N 1 2 294.786 1.833 20 30 CDEDLO C=CCCN(C)C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000786433390 728115646 /nfs/dbraw/zinc/11/56/46/728115646.db2.gz ZTWDZTIYVXOSCH-UHFFFAOYSA-N 1 2 290.367 1.429 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)C12CCC(CC1)C2 ZINC001038415485 728121422 /nfs/dbraw/zinc/12/14/22/728121422.db2.gz GRRCOZQSVZZNAY-BBBYJDLNSA-N 1 2 260.381 1.781 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)C12CCC(CC1)C2 ZINC001038415485 728121431 /nfs/dbraw/zinc/12/14/31/728121431.db2.gz GRRCOZQSVZZNAY-BBBYJDLNSA-N 1 2 260.381 1.781 20 30 CDEDLO C=CCN1CC(N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001044131867 728162025 /nfs/dbraw/zinc/16/20/25/728162025.db2.gz ZAJMXWFGCSFFGH-UHFFFAOYSA-N 1 2 296.374 1.815 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001019331691 728171242 /nfs/dbraw/zinc/17/12/42/728171242.db2.gz BKWTUKBSXSENLQ-SWLSCSKDSA-N 1 2 292.383 1.671 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800211189 728218135 /nfs/dbraw/zinc/21/81/35/728218135.db2.gz SOXBGVXDMQHMFR-DZGCQCFKSA-N 1 2 285.384 1.479 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800211189 728218139 /nfs/dbraw/zinc/21/81/39/728218139.db2.gz SOXBGVXDMQHMFR-DZGCQCFKSA-N 1 2 285.384 1.479 20 30 CDEDLO C[C@@H]1CCN(CC#N)C[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000966919569 728262491 /nfs/dbraw/zinc/26/24/91/728262491.db2.gz ZLPWAROIVCMVHH-ABAIWWIYSA-N 1 2 297.362 1.527 20 30 CDEDLO C=CC[NH+]1CC(CNC(=O)c2[nH]nc3c2CCCCC3)C1 ZINC001032187397 728276744 /nfs/dbraw/zinc/27/67/44/728276744.db2.gz QMXSBFSWZGEIFI-UHFFFAOYSA-N 1 2 288.395 1.526 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)CC1CC1)CO2 ZINC001053720334 728291024 /nfs/dbraw/zinc/29/10/24/728291024.db2.gz UEOLZSOGPJYEHM-ZDUSSCGKSA-N 1 2 264.369 1.322 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCO1 ZINC001039325153 728291453 /nfs/dbraw/zinc/29/14/53/728291453.db2.gz ILNGOXYTRRNYLB-HZSPNIEDSA-N 1 2 298.814 1.983 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCO1 ZINC001039325153 728291458 /nfs/dbraw/zinc/29/14/58/728291458.db2.gz ILNGOXYTRRNYLB-HZSPNIEDSA-N 1 2 298.814 1.983 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cn(C)cn1 ZINC001024394394 728293744 /nfs/dbraw/zinc/29/37/44/728293744.db2.gz HPUFIZXGGRMXMU-LBPRGKRZSA-N 1 2 296.802 1.757 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(C)cn1 ZINC001024394394 728293753 /nfs/dbraw/zinc/29/37/53/728293753.db2.gz HPUFIZXGGRMXMU-LBPRGKRZSA-N 1 2 296.802 1.757 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)CC)CCO2 ZINC001053160235 728298416 /nfs/dbraw/zinc/29/84/16/728298416.db2.gz HMOCUYMPLPVAGK-CYBMUJFWSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cc(C)ccc2OC)C1 ZINC001043250340 728310487 /nfs/dbraw/zinc/31/04/87/728310487.db2.gz CAZSZRUOKIRPOB-UHFFFAOYSA-N 1 2 288.391 1.875 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(CC)on1 ZINC001051213201 728329517 /nfs/dbraw/zinc/32/95/17/728329517.db2.gz VWGPXNNCNPIRJY-LBPRGKRZSA-N 1 2 293.367 1.244 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(CC)on1 ZINC001051213201 728329520 /nfs/dbraw/zinc/32/95/20/728329520.db2.gz VWGPXNNCNPIRJY-LBPRGKRZSA-N 1 2 293.367 1.244 20 30 CDEDLO C#C[C@](C)(CC)[NH2+]CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000852101505 728341861 /nfs/dbraw/zinc/34/18/61/728341861.db2.gz QBGZJVZJMXBRIA-CQSZACIVSA-N 1 2 291.376 1.400 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@H]([NH2+]Cc2nnc(C)o2)[C@@H](C)C1 ZINC001054975359 728345421 /nfs/dbraw/zinc/34/54/21/728345421.db2.gz CTWAZUOASLLZBI-JQWIXIFHSA-N 1 2 292.383 1.527 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001023742675 728353116 /nfs/dbraw/zinc/35/31/16/728353116.db2.gz KEYZJNJNKXPHCA-GFCCVEGCSA-N 1 2 297.362 1.033 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn(CCC)c2)C1 ZINC001043989950 728353799 /nfs/dbraw/zinc/35/37/99/728353799.db2.gz NSPUBIIEQSZICU-UHFFFAOYSA-N 1 2 274.368 1.073 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C(C)C)c1C ZINC001032580477 728358601 /nfs/dbraw/zinc/35/86/01/728358601.db2.gz OLIMFBAXSIQZGH-GJZGRUSLSA-N 1 2 285.391 1.909 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C(C)C)c1C ZINC001032580477 728358603 /nfs/dbraw/zinc/35/86/03/728358603.db2.gz OLIMFBAXSIQZGH-GJZGRUSLSA-N 1 2 285.391 1.909 20 30 CDEDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000877560689 728359774 /nfs/dbraw/zinc/35/97/74/728359774.db2.gz YGNIVKKNOFRRPD-AWEZNQCLSA-N 1 2 288.351 1.616 20 30 CDEDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000877560689 728359778 /nfs/dbraw/zinc/35/97/78/728359778.db2.gz YGNIVKKNOFRRPD-AWEZNQCLSA-N 1 2 288.351 1.616 20 30 CDEDLO C#CC1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000826070451 1166248182 /nfs/dbraw/zinc/24/81/82/1166248182.db2.gz WXNWJMKUKBDQRH-UHFFFAOYSA-N 1 2 293.411 1.152 20 30 CDEDLO C#CC1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000826070451 1166248187 /nfs/dbraw/zinc/24/81/87/1166248187.db2.gz WXNWJMKUKBDQRH-UHFFFAOYSA-N 1 2 293.411 1.152 20 30 CDEDLO C=CC(C)(C)CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000879942157 1166428568 /nfs/dbraw/zinc/42/85/68/1166428568.db2.gz TYXUSDFFUMWJJR-KBPBESRZSA-N 1 2 280.412 1.910 20 30 CDEDLO CCc1[nH]cc(CNC(=O)c2cc(C#N)ccn2)[nH+]1 ZINC001645215731 1167377110 /nfs/dbraw/zinc/37/71/10/1167377110.db2.gz YTZWPWYAHNAJHQ-UHFFFAOYSA-N 1 2 255.281 1.169 20 30 CDEDLO CC[N@@H+](CC=C(Cl)Cl)CCNC(=O)[C@@H](C)C#N ZINC001403826907 977218686 /nfs/dbraw/zinc/21/86/86/977218686.db2.gz QTIWSXNJOCIHNW-VIFPVBQESA-N 1 2 278.183 1.903 20 30 CDEDLO CC[N@H+](CC=C(Cl)Cl)CCNC(=O)[C@@H](C)C#N ZINC001403826907 977218693 /nfs/dbraw/zinc/21/86/93/977218693.db2.gz QTIWSXNJOCIHNW-VIFPVBQESA-N 1 2 278.183 1.903 20 30 CDEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](CC3CC3)C[C@@]2(F)C1=O ZINC001272483527 913224063 /nfs/dbraw/zinc/22/40/63/913224063.db2.gz HUVSUGJVTSKPPM-UONOGXRCSA-N 1 2 270.323 1.547 20 30 CDEDLO C=C(C)CN1C[C@@]2(F)C[N@@H+](CC3CC3)C[C@@]2(F)C1=O ZINC001272483527 913224075 /nfs/dbraw/zinc/22/40/75/913224075.db2.gz HUVSUGJVTSKPPM-UONOGXRCSA-N 1 2 270.323 1.547 20 30 CDEDLO C#C[C@H](CC)NC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001121998253 913324372 /nfs/dbraw/zinc/32/43/72/913324372.db2.gz UHLZMWUJLADWSA-CYBMUJFWSA-N 1 2 274.368 1.721 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@H+](Cc3cnn[nH]3)CC2)C1=O ZINC001272567741 913456396 /nfs/dbraw/zinc/45/63/96/913456396.db2.gz AMLPJSVINNNIDY-HNNXBMFYSA-N 1 2 289.383 1.195 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cnn[nH]3)CC2)C1=O ZINC001272567741 913456409 /nfs/dbraw/zinc/45/64/09/913456409.db2.gz AMLPJSVINNNIDY-HNNXBMFYSA-N 1 2 289.383 1.195 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@H+](Cc3c[nH]nn3)CC2)C1=O ZINC001272567741 913456429 /nfs/dbraw/zinc/45/64/29/913456429.db2.gz AMLPJSVINNNIDY-HNNXBMFYSA-N 1 2 289.383 1.195 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3c[nH]nn3)CC2)C1=O ZINC001272567741 913456441 /nfs/dbraw/zinc/45/64/41/913456441.db2.gz AMLPJSVINNNIDY-HNNXBMFYSA-N 1 2 289.383 1.195 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@H+](Cc3cn[nH]n3)CC2)C1=O ZINC001272567741 913456448 /nfs/dbraw/zinc/45/64/48/913456448.db2.gz AMLPJSVINNNIDY-HNNXBMFYSA-N 1 2 289.383 1.195 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cn[nH]n3)CC2)C1=O ZINC001272567741 913456455 /nfs/dbraw/zinc/45/64/55/913456455.db2.gz AMLPJSVINNNIDY-HNNXBMFYSA-N 1 2 289.383 1.195 20 30 CDEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3occc3CC)[C@H]2C1 ZINC001083184615 893919404 /nfs/dbraw/zinc/91/94/04/893919404.db2.gz CZXJEJZBSRPDLU-UONOGXRCSA-N 1 2 290.363 1.553 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3occc3CC)[C@H]2C1 ZINC001083184615 893919411 /nfs/dbraw/zinc/91/94/11/893919411.db2.gz CZXJEJZBSRPDLU-UONOGXRCSA-N 1 2 290.363 1.553 20 30 CDEDLO C=CCN(CC[N@H+]1CCC(=O)[C@H](C)CC1)C(=O)OCC ZINC001209017878 894418583 /nfs/dbraw/zinc/41/85/83/894418583.db2.gz YGAAMRMIAVOERR-CYBMUJFWSA-N 1 2 282.384 1.932 20 30 CDEDLO C=CCN(CC[N@@H+]1CCC(=O)[C@H](C)CC1)C(=O)OCC ZINC001209017878 894418591 /nfs/dbraw/zinc/41/85/91/894418591.db2.gz YGAAMRMIAVOERR-CYBMUJFWSA-N 1 2 282.384 1.932 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c3ccccc3nn2C)C1 ZINC001031198505 913956774 /nfs/dbraw/zinc/95/67/74/913956774.db2.gz MOULCZJSLJXTMK-UHFFFAOYSA-N 1 2 284.363 1.563 20 30 CDEDLO C[C@@H](CCNc1ccc(C#N)nc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001106598682 914055603 /nfs/dbraw/zinc/05/56/03/914055603.db2.gz NRRHFLWFPJGUGP-NSHDSACASA-N 1 2 298.350 1.226 20 30 CDEDLO C[C@H](CCNc1ccc(C#N)cn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001106599315 914056726 /nfs/dbraw/zinc/05/67/26/914056726.db2.gz ZCPUACGKJMPRGJ-LLVKDONJSA-N 1 2 298.350 1.226 20 30 CDEDLO N#CC1(c2cc[nH+]c(NCC3(O)CCOCC3)c2)CC1 ZINC001167548433 896747467 /nfs/dbraw/zinc/74/74/67/896747467.db2.gz VTWZCAQURHDYFB-UHFFFAOYSA-N 1 2 273.336 1.590 20 30 CDEDLO C[N@H+](C1COC1)C1CN(Cc2cc(C#N)ccc2Cl)C1 ZINC001140603087 897112070 /nfs/dbraw/zinc/11/20/70/897112070.db2.gz ZVMKMMIQUYZRNU-UHFFFAOYSA-N 1 2 291.782 1.726 20 30 CDEDLO C[N@@H+](C1COC1)C1CN(Cc2cc(C#N)ccc2Cl)C1 ZINC001140603087 897112079 /nfs/dbraw/zinc/11/20/79/897112079.db2.gz ZVMKMMIQUYZRNU-UHFFFAOYSA-N 1 2 291.782 1.726 20 30 CDEDLO CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140756895 898203501 /nfs/dbraw/zinc/20/35/01/898203501.db2.gz SARNVUOHDDOZHL-NSHDSACASA-N 1 2 279.290 1.547 20 30 CDEDLO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140756895 898203518 /nfs/dbraw/zinc/20/35/18/898203518.db2.gz SARNVUOHDDOZHL-NSHDSACASA-N 1 2 279.290 1.547 20 30 CDEDLO C[C@H](CNc1ncccc1C#N)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001104647263 898840209 /nfs/dbraw/zinc/84/02/09/898840209.db2.gz FGFRQZIHWZTFDE-LLVKDONJSA-N 1 2 298.350 1.178 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@H]3CCCCO3)C2)cn1 ZINC001031280062 914331497 /nfs/dbraw/zinc/33/14/97/914331497.db2.gz XNEGYLFIYVKKEP-MRXNPFEDSA-N 1 2 299.374 1.046 20 30 CDEDLO Cc1nc(N(C)CCCN(C)C(=O)[C@H](C)C#N)cc[nH+]1 ZINC001112062058 899657612 /nfs/dbraw/zinc/65/76/12/899657612.db2.gz YTQNPXYSUWQWNY-LLVKDONJSA-N 1 2 275.356 1.229 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(CCO)c1 ZINC000837135945 899920450 /nfs/dbraw/zinc/92/04/50/899920450.db2.gz FHEKWMGULDLTAT-HNNXBMFYSA-N 1 2 272.348 1.258 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(CCO)c1 ZINC000837135945 899920457 /nfs/dbraw/zinc/92/04/57/899920457.db2.gz FHEKWMGULDLTAT-HNNXBMFYSA-N 1 2 272.348 1.258 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C(\C)CC)C[C@@H]21 ZINC001177002325 914426477 /nfs/dbraw/zinc/42/64/77/914426477.db2.gz ZPJZBWNDLSFJCL-KBYULJEUSA-N 1 2 290.407 1.668 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C(\C)CC)C[C@@H]21 ZINC001177002325 914426487 /nfs/dbraw/zinc/42/64/87/914426487.db2.gz ZPJZBWNDLSFJCL-KBYULJEUSA-N 1 2 290.407 1.668 20 30 CDEDLO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1c[nH]nn1)C2 ZINC001203199593 902020271 /nfs/dbraw/zinc/02/02/71/902020271.db2.gz JCROQYUUKSCHGN-CABCVRRESA-N 1 2 292.383 1.378 20 30 CDEDLO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1c[nH]nn1)C2 ZINC001203199593 902020287 /nfs/dbraw/zinc/02/02/87/902020287.db2.gz JCROQYUUKSCHGN-CABCVRRESA-N 1 2 292.383 1.378 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1ncc(C(C)C)o1 ZINC001126379176 902590750 /nfs/dbraw/zinc/59/07/50/902590750.db2.gz ZBZPZUOTAVRSML-OAHLLOKOSA-N 1 2 295.383 1.331 20 30 CDEDLO CC(C)C#CC(=O)NCC[NH2+]Cc1nc2c(o1)CCCC2 ZINC001126815644 909296778 /nfs/dbraw/zinc/29/67/78/909296778.db2.gz GZKOEDDJAGIAHB-UHFFFAOYSA-N 1 2 289.379 1.419 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cocn2)c1 ZINC001038115932 909348855 /nfs/dbraw/zinc/34/88/55/909348855.db2.gz MZBDUFVNPGCALD-CQSZACIVSA-N 1 2 296.330 1.551 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cocn2)c1 ZINC001038115932 909348864 /nfs/dbraw/zinc/34/88/64/909348864.db2.gz MZBDUFVNPGCALD-CQSZACIVSA-N 1 2 296.330 1.551 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CC=CC1)c1nccn12 ZINC001092359595 909372005 /nfs/dbraw/zinc/37/20/05/909372005.db2.gz QXLPJEGBDBRLBT-CQSZACIVSA-N 1 2 298.390 1.607 20 30 CDEDLO C[C@@H](O)[C@H]([NH3+])c1nc(-c2cc(F)cc(C#N)c2)no1 ZINC001247616641 909547011 /nfs/dbraw/zinc/54/70/11/909547011.db2.gz AMSOKLPEHXMOHJ-LDWIPMOCSA-N 1 2 262.244 1.128 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn(C)cn2)C1 ZINC001033009572 921553921 /nfs/dbraw/zinc/55/39/21/921553921.db2.gz MIAHMTUVCLAIEI-LLVKDONJSA-N 1 2 282.775 1.319 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(C)cn2)C1 ZINC001033009572 921553932 /nfs/dbraw/zinc/55/39/32/921553932.db2.gz MIAHMTUVCLAIEI-LLVKDONJSA-N 1 2 282.775 1.319 20 30 CDEDLO C=C[C@H]1C[C@]1([NH2+]C1C[C@H]2CC[C@@H](C1)O2)C(=O)OCC ZINC001172224517 911458620 /nfs/dbraw/zinc/45/86/20/911458620.db2.gz RKBMRIPOMNEFPX-HHQTYALHSA-N 1 2 265.353 1.794 20 30 CDEDLO C[C@@H](Cc1ccc(C#N)cc1)N1CC[NH2+]C[C@H]1C#N ZINC001172315395 911554486 /nfs/dbraw/zinc/55/44/86/911554486.db2.gz OLJFTHITOWIEKN-SWLSCSKDSA-N 1 2 254.337 1.287 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnc(CC(C)C)[nH]2)C1 ZINC001030309407 911670594 /nfs/dbraw/zinc/67/05/94/911670594.db2.gz JESKOIADPQFTAK-UHFFFAOYSA-N 1 2 276.384 1.598 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cncc(Cl)c2C)C1 ZINC001030475392 911896870 /nfs/dbraw/zinc/89/68/70/911896870.db2.gz YJQZJCSZGTZMLD-UHFFFAOYSA-N 1 2 277.755 1.481 20 30 CDEDLO COC(=O)N1CCC[N@H+](Cc2cc(C#N)ccn2)CC1 ZINC001232477593 912207256 /nfs/dbraw/zinc/20/72/56/912207256.db2.gz NWFBFDBDNRHWLW-UHFFFAOYSA-N 1 2 274.324 1.227 20 30 CDEDLO COC(=O)N1CCC[N@@H+](Cc2cc(C#N)ccn2)CC1 ZINC001232477593 912207271 /nfs/dbraw/zinc/20/72/71/912207271.db2.gz NWFBFDBDNRHWLW-UHFFFAOYSA-N 1 2 274.324 1.227 20 30 CDEDLO Cc1cc(C[N@@H+](C)[C@@H]2CCN(C(=O)C#CC(C)C)C2)no1 ZINC001190045827 921809431 /nfs/dbraw/zinc/80/94/31/921809431.db2.gz BRWRVGKVGGEKOW-OAHLLOKOSA-N 1 2 289.379 1.675 20 30 CDEDLO Cc1cc(C[N@H+](C)[C@@H]2CCN(C(=O)C#CC(C)C)C2)no1 ZINC001190045827 921809438 /nfs/dbraw/zinc/80/94/38/921809438.db2.gz BRWRVGKVGGEKOW-OAHLLOKOSA-N 1 2 289.379 1.675 20 30 CDEDLO N#Cc1cc(NC(=O)Cc2cc[nH+]c(N)c2)ccc1O ZINC001181264298 916951601 /nfs/dbraw/zinc/95/16/01/916951601.db2.gz XBSIZRBJXXBDAH-UHFFFAOYSA-N 1 2 268.276 1.422 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)/C=C/C1CC1)CCO2 ZINC001053203087 936410116 /nfs/dbraw/zinc/41/01/16/936410116.db2.gz RNLYVYQSAUSYIT-VOTSOKGWSA-N 1 2 276.380 1.442 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@H](C)C1CC1)CCO2 ZINC001053543966 936414469 /nfs/dbraw/zinc/41/44/69/936414469.db2.gz RIUGRNXHJRTCFL-AWEZNQCLSA-N 1 2 292.423 1.912 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1(C)CC=CC1)CO2 ZINC001053916077 936423350 /nfs/dbraw/zinc/42/33/50/936423350.db2.gz BOQWESRQRDXVRH-CQSZACIVSA-N 1 2 290.407 1.878 20 30 CDEDLO C=CC[N@@H+]1Cc2ccc(CNC(=O)c3cn[nH]n3)cc2C1 ZINC001054272447 936433617 /nfs/dbraw/zinc/43/36/17/936433617.db2.gz TUUWVLDBAJHXBK-UHFFFAOYSA-N 1 2 283.335 1.236 20 30 CDEDLO C=CC[N@H+]1Cc2ccc(CNC(=O)c3cn[nH]n3)cc2C1 ZINC001054272447 936433619 /nfs/dbraw/zinc/43/36/19/936433619.db2.gz TUUWVLDBAJHXBK-UHFFFAOYSA-N 1 2 283.335 1.236 20 30 CDEDLO C=CC[N@@H+]1Cc2ccc(CNC(=O)c3cnn[nH]3)cc2C1 ZINC001054272447 936433620 /nfs/dbraw/zinc/43/36/20/936433620.db2.gz TUUWVLDBAJHXBK-UHFFFAOYSA-N 1 2 283.335 1.236 20 30 CDEDLO C=CC[N@H+]1Cc2ccc(CNC(=O)c3cnn[nH]3)cc2C1 ZINC001054272447 936433622 /nfs/dbraw/zinc/43/36/22/936433622.db2.gz TUUWVLDBAJHXBK-UHFFFAOYSA-N 1 2 283.335 1.236 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC001124908322 917760204 /nfs/dbraw/zinc/76/02/04/917760204.db2.gz IHFVKJYLRJZMEI-UWVGGRQHSA-N 1 2 293.371 1.294 20 30 CDEDLO C#CCC(C)(C)C(=O)N1CC[NH+](CCOCC)CC1 ZINC000185519546 917940386 /nfs/dbraw/zinc/94/03/86/917940386.db2.gz VKRQNVAVWZTJLF-UHFFFAOYSA-N 1 2 266.385 1.217 20 30 CDEDLO Cc1nc(N[C@@H](C)CN(C)C(=O)[C@H](C)C#N)cc[nH+]1 ZINC001115660005 917998468 /nfs/dbraw/zinc/99/84/68/917998468.db2.gz JCBRKCNSDMOIGY-ZJUUUORDSA-N 1 2 261.329 1.204 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CCCC1 ZINC001032295934 918230789 /nfs/dbraw/zinc/23/07/89/918230789.db2.gz WKAXEHYWOUONQN-KBPBESRZSA-N 1 2 276.380 1.254 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CCCC1 ZINC001032295934 918230805 /nfs/dbraw/zinc/23/08/05/918230805.db2.gz WKAXEHYWOUONQN-KBPBESRZSA-N 1 2 276.380 1.254 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccccn2)C1 ZINC001107686290 918616701 /nfs/dbraw/zinc/61/67/01/918616701.db2.gz XADPFOLPMBJHQU-HNNXBMFYSA-N 1 2 275.352 1.088 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccccn2)C1 ZINC001107686290 918616706 /nfs/dbraw/zinc/61/67/06/918616706.db2.gz XADPFOLPMBJHQU-HNNXBMFYSA-N 1 2 275.352 1.088 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccccc2)C1 ZINC001107700330 918639253 /nfs/dbraw/zinc/63/92/53/918639253.db2.gz KYQNOHBBEHOVMR-KRWDZBQOSA-N 1 2 286.375 1.531 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccccc2)C1 ZINC001107700330 918639263 /nfs/dbraw/zinc/63/92/63/918639263.db2.gz KYQNOHBBEHOVMR-KRWDZBQOSA-N 1 2 286.375 1.531 20 30 CDEDLO N#CC1(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CCC1 ZINC001183744900 918672817 /nfs/dbraw/zinc/67/28/17/918672817.db2.gz NLLVGQYAICGISQ-CQSZACIVSA-N 1 2 269.348 1.823 20 30 CDEDLO N#CC1(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CCC1 ZINC001183744900 918672821 /nfs/dbraw/zinc/67/28/21/918672821.db2.gz NLLVGQYAICGISQ-CQSZACIVSA-N 1 2 269.348 1.823 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCOCC)C1 ZINC001107763335 918752668 /nfs/dbraw/zinc/75/26/68/918752668.db2.gz DRCJSUUXHFXMKH-OAHLLOKOSA-N 1 2 284.400 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCCOCC)C1 ZINC001107763335 918752682 /nfs/dbraw/zinc/75/26/82/918752682.db2.gz DRCJSUUXHFXMKH-OAHLLOKOSA-N 1 2 284.400 1.196 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)/C(C)=C/CC)C1 ZINC001107784425 918779789 /nfs/dbraw/zinc/77/97/89/918779789.db2.gz XIEHKWRVCOKMEU-FCONWMNKSA-N 1 2 278.396 1.573 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)/C(C)=C/CC)C1 ZINC001107784425 918779799 /nfs/dbraw/zinc/77/97/99/918779799.db2.gz XIEHKWRVCOKMEU-FCONWMNKSA-N 1 2 278.396 1.573 20 30 CDEDLO C=CCOCCCC(=O)NC[C@@]1(C)C[N@H+](CC=C)CCO1 ZINC001107838496 918853785 /nfs/dbraw/zinc/85/37/85/918853785.db2.gz BOQRWCJRLYMDAY-INIZCTEOSA-N 1 2 296.411 1.362 20 30 CDEDLO C=CCOCCCC(=O)NC[C@@]1(C)C[N@@H+](CC=C)CCO1 ZINC001107838496 918853794 /nfs/dbraw/zinc/85/37/94/918853794.db2.gz BOQRWCJRLYMDAY-INIZCTEOSA-N 1 2 296.411 1.362 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cncc(C)c2)C1 ZINC001107837659 918854500 /nfs/dbraw/zinc/85/45/00/918854500.db2.gz MFTNGAFNLWEVHA-INIZCTEOSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cncc(C)c2)C1 ZINC001107837659 918854511 /nfs/dbraw/zinc/85/45/11/918854511.db2.gz MFTNGAFNLWEVHA-INIZCTEOSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2oc(C)nc2C)C1 ZINC001107839532 918857421 /nfs/dbraw/zinc/85/74/21/918857421.db2.gz PBRRWRAYEQVYSO-OAHLLOKOSA-N 1 2 293.367 1.298 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2oc(C)nc2C)C1 ZINC001107839532 918857439 /nfs/dbraw/zinc/85/74/39/918857439.db2.gz PBRRWRAYEQVYSO-OAHLLOKOSA-N 1 2 293.367 1.298 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)SC)C1 ZINC001107875376 918961434 /nfs/dbraw/zinc/96/14/34/918961434.db2.gz XSXHGTBDVIKKDF-HIFRSBDPSA-N 1 2 298.452 1.358 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)SC)C1 ZINC001107875376 918961443 /nfs/dbraw/zinc/96/14/43/918961443.db2.gz XSXHGTBDVIKKDF-HIFRSBDPSA-N 1 2 298.452 1.358 20 30 CDEDLO C=C(CC(=O)OCCCC)C(=O)NCCc1[nH+]ccn1C ZINC001184315916 919024500 /nfs/dbraw/zinc/02/45/00/919024500.db2.gz LFUKEDZFCRPKAY-UHFFFAOYSA-N 1 2 293.367 1.368 20 30 CDEDLO C=CCc1cccc(C[N@@H+]2CCO[C@H](C(C)=O)C2)c1O ZINC001138631087 936552906 /nfs/dbraw/zinc/55/29/06/936552906.db2.gz KKSSUYMUBZERGE-HNNXBMFYSA-N 1 2 275.348 1.911 20 30 CDEDLO C=CCc1cccc(C[N@H+]2CCO[C@H](C(C)=O)C2)c1O ZINC001138631087 936552907 /nfs/dbraw/zinc/55/29/07/936552907.db2.gz KKSSUYMUBZERGE-HNNXBMFYSA-N 1 2 275.348 1.911 20 30 CDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ncco1 ZINC001272801942 919321716 /nfs/dbraw/zinc/32/17/16/919321716.db2.gz JAFWCZSQBOIHID-CHWSQXEVSA-N 1 2 275.352 1.816 20 30 CDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ncco1 ZINC001272801942 919321727 /nfs/dbraw/zinc/32/17/27/919321727.db2.gz JAFWCZSQBOIHID-CHWSQXEVSA-N 1 2 275.352 1.816 20 30 CDEDLO C=CCCCC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001185296787 919527584 /nfs/dbraw/zinc/52/75/84/919527584.db2.gz RHWFCVURTSDVCA-GFCCVEGCSA-N 1 2 278.356 1.425 20 30 CDEDLO C#Cc1cnc(N2CC[NH+](Cc3cccnc3)CC2)nc1 ZINC000827342461 936588206 /nfs/dbraw/zinc/58/82/06/936588206.db2.gz KUOWFEQTOVCWOA-UHFFFAOYSA-N 1 2 279.347 1.175 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cnn3cc[nH]c23)C1 ZINC001016103951 919549199 /nfs/dbraw/zinc/54/91/99/919549199.db2.gz MWOKEFZSNKXICR-SNVBAGLBSA-N 1 2 293.758 1.219 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cnn3cc[nH]c23)C1 ZINC001016103951 919549203 /nfs/dbraw/zinc/54/92/03/919549203.db2.gz MWOKEFZSNKXICR-SNVBAGLBSA-N 1 2 293.758 1.219 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)cn1 ZINC001032744246 919894095 /nfs/dbraw/zinc/89/40/95/919894095.db2.gz AMYSNRLDACGDKF-STQMWFEESA-N 1 2 289.766 1.657 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)cn1 ZINC001032744246 919894111 /nfs/dbraw/zinc/89/41/11/919894111.db2.gz AMYSNRLDACGDKF-STQMWFEESA-N 1 2 289.766 1.657 20 30 CDEDLO C[C@]1(CO)CC[N@H+](Cc2cccc(Cl)c2C#N)C[C@@H]1O ZINC001139687574 936635870 /nfs/dbraw/zinc/63/58/70/936635870.db2.gz SPJUWVCRVAQNQR-LSDHHAIUSA-N 1 2 294.782 1.777 20 30 CDEDLO C[C@]1(CO)CC[N@@H+](Cc2cccc(Cl)c2C#N)C[C@@H]1O ZINC001139687574 936635871 /nfs/dbraw/zinc/63/58/71/936635871.db2.gz SPJUWVCRVAQNQR-LSDHHAIUSA-N 1 2 294.782 1.777 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)n1c(C)ccc1C ZINC001032801478 920255231 /nfs/dbraw/zinc/25/52/31/920255231.db2.gz YERVFBJUNOQJDK-PMPSAXMXSA-N 1 2 285.391 1.584 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)n1c(C)ccc1C ZINC001032801478 920255240 /nfs/dbraw/zinc/25/52/40/920255240.db2.gz YERVFBJUNOQJDK-PMPSAXMXSA-N 1 2 285.391 1.584 20 30 CDEDLO COCCn1cc(C[N@@H+]2CCc3ccc(C#N)cc3C2)cn1 ZINC001139779341 936646313 /nfs/dbraw/zinc/64/63/13/936646313.db2.gz NAWOKMACYQJPDA-UHFFFAOYSA-N 1 2 296.374 1.959 20 30 CDEDLO COCCn1cc(C[N@H+]2CCc3ccc(C#N)cc3C2)cn1 ZINC001139779341 936646315 /nfs/dbraw/zinc/64/63/15/936646315.db2.gz NAWOKMACYQJPDA-UHFFFAOYSA-N 1 2 296.374 1.959 20 30 CDEDLO C=CCN1C(=O)COCC12C[NH+](Cc1cccs1)C2 ZINC001272933142 920440400 /nfs/dbraw/zinc/44/04/00/920440400.db2.gz SQKVAZLYTCAXCA-UHFFFAOYSA-N 1 2 278.377 1.347 20 30 CDEDLO COC(=O)CC1C[NH+](Cc2cc(F)cc(C#N)c2)C1 ZINC001139874968 936655532 /nfs/dbraw/zinc/65/55/32/936655532.db2.gz CQJPYFXFASHFMO-UHFFFAOYSA-N 1 2 262.284 1.692 20 30 CDEDLO C#CCN1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC001140341357 936703386 /nfs/dbraw/zinc/70/33/86/936703386.db2.gz JLAVBQLUPYHDFG-UHFFFAOYSA-N 1 2 264.756 1.796 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCC(F)F)C1 ZINC001108077066 921900989 /nfs/dbraw/zinc/90/09/89/921900989.db2.gz ULJMSGZLHYHAJT-CQSZACIVSA-N 1 2 288.338 1.262 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCC(F)F)C1 ZINC001108077066 921900998 /nfs/dbraw/zinc/90/09/98/921900998.db2.gz ULJMSGZLHYHAJT-CQSZACIVSA-N 1 2 288.338 1.262 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCC(F)F)C1 ZINC001108077065 921901118 /nfs/dbraw/zinc/90/11/18/921901118.db2.gz ULJMSGZLHYHAJT-AWEZNQCLSA-N 1 2 288.338 1.262 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CCC(F)F)C1 ZINC001108077065 921901135 /nfs/dbraw/zinc/90/11/35/921901135.db2.gz ULJMSGZLHYHAJT-AWEZNQCLSA-N 1 2 288.338 1.262 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001098527269 936752865 /nfs/dbraw/zinc/75/28/65/936752865.db2.gz RZLGYGITLAQHRP-AWEZNQCLSA-N 1 2 286.379 1.849 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(F)c(C#N)c(F)c2)CC1 ZINC001140754798 936751062 /nfs/dbraw/zinc/75/10/62/936751062.db2.gz LUTBGGWRRKSREP-UHFFFAOYSA-N 1 2 275.302 1.587 20 30 CDEDLO CN(C)C(=O)C1C[NH+](Cc2cccc(C#N)c2Cl)C1 ZINC001140810172 936760445 /nfs/dbraw/zinc/76/04/45/936760445.db2.gz XGEAONIWXULCQV-UHFFFAOYSA-N 1 2 277.755 1.732 20 30 CDEDLO C#Cc1cccc(CNC(=O)N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000836240304 936769356 /nfs/dbraw/zinc/76/93/56/936769356.db2.gz DKYNUYFMYGTMHN-CYBMUJFWSA-N 1 2 282.347 1.752 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001099046433 936776419 /nfs/dbraw/zinc/77/64/19/936776419.db2.gz NRRWDVZQFITGKG-IAQYHMDHSA-N 1 2 292.383 1.419 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(CC)CCC2)C1 ZINC001108141784 922738567 /nfs/dbraw/zinc/73/85/67/922738567.db2.gz DFAWPUUFGHVMJY-OAHLLOKOSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2(CC)CCC2)C1 ZINC001108141784 922738574 /nfs/dbraw/zinc/73/85/74/922738574.db2.gz DFAWPUUFGHVMJY-OAHLLOKOSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C=C)CC)C1 ZINC001108149152 922783992 /nfs/dbraw/zinc/78/39/92/922783992.db2.gz RLWLXFGCAWVXDG-HOCLYGCPSA-N 1 2 280.412 1.982 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C=C)CC)C1 ZINC001108149152 922783996 /nfs/dbraw/zinc/78/39/96/922783996.db2.gz RLWLXFGCAWVXDG-HOCLYGCPSA-N 1 2 280.412 1.982 20 30 CDEDLO C=CCONC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000836467396 936784075 /nfs/dbraw/zinc/78/40/75/936784075.db2.gz LVBYPHRXTJWGPM-UHFFFAOYSA-N 1 2 292.339 1.466 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cocc2C)C1 ZINC001035476922 922985561 /nfs/dbraw/zinc/98/55/61/922985561.db2.gz WRNKOXWIRQJLIH-LBPRGKRZSA-N 1 2 264.325 1.205 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cocc2C)C1 ZINC001035476922 922985570 /nfs/dbraw/zinc/98/55/70/922985570.db2.gz WRNKOXWIRQJLIH-LBPRGKRZSA-N 1 2 264.325 1.205 20 30 CDEDLO C#CC[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000780319999 936812824 /nfs/dbraw/zinc/81/28/24/936812824.db2.gz RVRLPFQSWRPGJU-OAHLLOKOSA-N 1 2 257.312 1.641 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000121743498 936858718 /nfs/dbraw/zinc/85/87/18/936858718.db2.gz SJYGAHLFPQTGGR-UHFFFAOYSA-N 1 2 257.312 1.448 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccon2)C1 ZINC001079444068 924319487 /nfs/dbraw/zinc/31/94/87/924319487.db2.gz BEQWNLNXAYDTGQ-LDYMZIIASA-N 1 2 269.732 1.477 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccon2)C1 ZINC001079444068 924319494 /nfs/dbraw/zinc/31/94/94/924319494.db2.gz BEQWNLNXAYDTGQ-LDYMZIIASA-N 1 2 269.732 1.477 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC001079581373 924368652 /nfs/dbraw/zinc/36/86/52/924368652.db2.gz MQGOVRUUZQAZJL-RTXFEEFZSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC001079581373 924368658 /nfs/dbraw/zinc/36/86/58/924368658.db2.gz MQGOVRUUZQAZJL-RTXFEEFZSA-N 1 2 286.803 1.745 20 30 CDEDLO C=CC[N@H+](CN1C(=O)[C@@]2(CCCO2)[C@@H]1C1CC1)C1CC1 ZINC000840040803 936934462 /nfs/dbraw/zinc/93/44/62/936934462.db2.gz GLOCQQBMKGUXQH-GOEBONIOSA-N 1 2 276.380 1.764 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)[C@@]2(CCCO2)[C@@H]1C1CC1)C1CC1 ZINC000840040803 936934464 /nfs/dbraw/zinc/93/44/64/936934464.db2.gz GLOCQQBMKGUXQH-GOEBONIOSA-N 1 2 276.380 1.764 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)cc(F)c2)[C@H](OC)C1 ZINC001082161256 924873508 /nfs/dbraw/zinc/87/35/08/924873508.db2.gz AYKIGIUXUXRZNF-HUUCEWRRSA-N 1 2 290.338 1.196 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)cc(F)c2)[C@H](OC)C1 ZINC001082161256 924873509 /nfs/dbraw/zinc/87/35/09/924873509.db2.gz AYKIGIUXUXRZNF-HUUCEWRRSA-N 1 2 290.338 1.196 20 30 CDEDLO CC(C)(CC#N)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001141961401 936959019 /nfs/dbraw/zinc/95/90/19/936959019.db2.gz DYUUXKQGULRPRA-NSHDSACASA-N 1 2 260.341 1.502 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC=CCC3)[C@H]2C1 ZINC001083164541 925106461 /nfs/dbraw/zinc/10/64/61/925106461.db2.gz OIQIOHPWBNYGBT-OWCLPIDISA-N 1 2 288.391 1.278 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC=CCC3)[C@H]2C1 ZINC001083164541 925106466 /nfs/dbraw/zinc/10/64/66/925106466.db2.gz OIQIOHPWBNYGBT-OWCLPIDISA-N 1 2 288.391 1.278 20 30 CDEDLO C=CCC1(C(=O)N2CCC[N@@H+](CCF)CC2)CCOCC1 ZINC001197996021 925303368 /nfs/dbraw/zinc/30/33/68/925303368.db2.gz YALWROLRHKWWAM-UHFFFAOYSA-N 1 2 298.402 1.863 20 30 CDEDLO C=CCC1(C(=O)N2CCC[N@H+](CCF)CC2)CCOCC1 ZINC001197996021 925303379 /nfs/dbraw/zinc/30/33/79/925303379.db2.gz YALWROLRHKWWAM-UHFFFAOYSA-N 1 2 298.402 1.863 20 30 CDEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)CCC)c1nccn12 ZINC001101604168 936993760 /nfs/dbraw/zinc/99/37/60/936993760.db2.gz ONSFSJHPWHDZKQ-CYBMUJFWSA-N 1 2 286.379 1.278 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)/C=C/C1CC1)c1nccn12 ZINC001101620959 936994363 /nfs/dbraw/zinc/99/43/63/936994363.db2.gz WELNXWRNEYDXLI-GJBLVYBDSA-N 1 2 298.390 1.607 20 30 CDEDLO C[C@H](C(=O)N[C@H](C#N)C1CCCC1)[NH+]1CCSCC1 ZINC001119667266 925464968 /nfs/dbraw/zinc/46/49/68/925464968.db2.gz KUJJSRCMUPCZSW-DGCLKSJQSA-N 1 2 281.425 1.622 20 30 CDEDLO Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC2CC2)C3)on1 ZINC001110531996 925713192 /nfs/dbraw/zinc/71/31/92/925713192.db2.gz VEQXMWFGQPAHTA-BMFZPTHFSA-N 1 2 299.374 1.618 20 30 CDEDLO Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC2CC2)C3)on1 ZINC001110531996 925713193 /nfs/dbraw/zinc/71/31/93/925713193.db2.gz VEQXMWFGQPAHTA-BMFZPTHFSA-N 1 2 299.374 1.618 20 30 CDEDLO C#CCCCC(=O)N1CCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001110544373 925919749 /nfs/dbraw/zinc/91/97/49/925919749.db2.gz LBCVAUBRZIPEAK-AWEZNQCLSA-N 1 2 286.379 1.991 20 30 CDEDLO N#CCCNC(=O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000780741234 925995880 /nfs/dbraw/zinc/99/58/80/925995880.db2.gz AMXVMSZURDDPQN-UHFFFAOYSA-N 1 2 258.325 1.076 20 30 CDEDLO N#CCCNC(=O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000780741234 925995885 /nfs/dbraw/zinc/99/58/85/925995885.db2.gz AMXVMSZURDDPQN-UHFFFAOYSA-N 1 2 258.325 1.076 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(CC)[nH]n1 ZINC001085492752 926063845 /nfs/dbraw/zinc/06/38/45/926063845.db2.gz DIERWGHFMKIEBD-LBPRGKRZSA-N 1 2 262.357 1.304 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(CC)[nH]n1 ZINC001085492752 926063854 /nfs/dbraw/zinc/06/38/54/926063854.db2.gz DIERWGHFMKIEBD-LBPRGKRZSA-N 1 2 262.357 1.304 20 30 CDEDLO N#Cc1cccn(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c1=O ZINC000842615841 937065362 /nfs/dbraw/zinc/06/53/62/937065362.db2.gz ASJPGZUXJUECLD-INIZCTEOSA-N 1 2 295.342 1.831 20 30 CDEDLO N#Cc1cccn(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c1=O ZINC000842615841 937065365 /nfs/dbraw/zinc/06/53/65/937065365.db2.gz ASJPGZUXJUECLD-INIZCTEOSA-N 1 2 295.342 1.831 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccncc1CC ZINC001085682957 926276900 /nfs/dbraw/zinc/27/69/00/926276900.db2.gz FYKMDZMUTPSZRZ-AWEZNQCLSA-N 1 2 271.364 1.424 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccncc1CC ZINC001085682957 926276907 /nfs/dbraw/zinc/27/69/07/926276907.db2.gz FYKMDZMUTPSZRZ-AWEZNQCLSA-N 1 2 271.364 1.424 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1snnc1CC ZINC001085704123 926304870 /nfs/dbraw/zinc/30/48/70/926304870.db2.gz IAJRNGYCSWKSJX-NSHDSACASA-N 1 2 294.424 1.823 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1snnc1CC ZINC001085704123 926304880 /nfs/dbraw/zinc/30/48/80/926304880.db2.gz IAJRNGYCSWKSJX-NSHDSACASA-N 1 2 294.424 1.823 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1onc2c1CCCC2 ZINC001085720505 926320405 /nfs/dbraw/zinc/32/04/05/926320405.db2.gz WYWBYQQREQJPFG-GFCCVEGCSA-N 1 2 287.363 1.333 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1onc2c1CCCC2 ZINC001085720505 926320412 /nfs/dbraw/zinc/32/04/12/926320412.db2.gz WYWBYQQREQJPFG-GFCCVEGCSA-N 1 2 287.363 1.333 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2ccnc2c1 ZINC001085719768 926323074 /nfs/dbraw/zinc/32/30/74/926323074.db2.gz CVAQKQPTQYZBCF-OAHLLOKOSA-N 1 2 296.374 1.504 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2ccnc2c1 ZINC001085719768 926323080 /nfs/dbraw/zinc/32/30/80/926323080.db2.gz CVAQKQPTQYZBCF-OAHLLOKOSA-N 1 2 296.374 1.504 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nc(C)n2ccccc12 ZINC001085722388 926331944 /nfs/dbraw/zinc/33/19/44/926331944.db2.gz VWTSYZGEAMVQJC-CQSZACIVSA-N 1 2 296.374 1.422 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nc(C)n2ccccc12 ZINC001085722388 926331951 /nfs/dbraw/zinc/33/19/51/926331951.db2.gz VWTSYZGEAMVQJC-CQSZACIVSA-N 1 2 296.374 1.422 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1conc1CC ZINC001085805727 926414984 /nfs/dbraw/zinc/41/49/84/926414984.db2.gz 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COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccco1)C2 ZINC001108862630 928686738 /nfs/dbraw/zinc/68/67/38/928686738.db2.gz WVXHEAQPYFOTAD-RDBSUJKOSA-N 1 2 288.347 1.265 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](O)C(C)C)C2 ZINC001109232317 928843966 /nfs/dbraw/zinc/84/39/66/928843966.db2.gz LQPHERDTGUGDIG-MROQNXINSA-N 1 2 286.803 1.477 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](O)C(C)C)C2 ZINC001109232317 928843975 /nfs/dbraw/zinc/84/39/75/928843975.db2.gz LQPHERDTGUGDIG-MROQNXINSA-N 1 2 286.803 1.477 20 30 CDEDLO CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001109260936 928862919 /nfs/dbraw/zinc/86/29/19/928862919.db2.gz POIZOMOTWRCUPE-AGIUHOORSA-N 1 2 266.360 1.727 20 30 CDEDLO CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001109260936 928862931 /nfs/dbraw/zinc/86/29/31/928862931.db2.gz POIZOMOTWRCUPE-AGIUHOORSA-N 1 2 266.360 1.727 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N(C)CCCNc1cc[nH+]c(C)n1 ZINC001109528337 928963898 /nfs/dbraw/zinc/96/38/98/928963898.db2.gz MXKIXFRAVTTYDW-LBPRGKRZSA-N 1 2 290.367 1.084 20 30 CDEDLO C=C[C@](C)(O)CNc1ccc(N2CCOCC2)[nH+]c1 ZINC001252542820 929006570 /nfs/dbraw/zinc/00/65/70/929006570.db2.gz JFFCWUJXRUQESO-AWEZNQCLSA-N 1 2 263.341 1.267 20 30 CDEDLO Cc1nc(N[C@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)cc[nH+]1 ZINC001112314074 937296964 /nfs/dbraw/zinc/29/69/64/937296964.db2.gz AYXTVVDPCAKQQX-OCCSQVGLSA-N 1 2 286.379 1.703 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+](CCOCC(C)C)CC1 ZINC001112814196 929455275 /nfs/dbraw/zinc/45/52/75/929455275.db2.gz JOYQDRNBOZTPIQ-INIZCTEOSA-N 1 2 298.427 1.130 20 30 CDEDLO C=CCOCC(=O)NC1CC(CNc2cc[nH+]c(C)n2)C1 ZINC001112825378 929465710 /nfs/dbraw/zinc/46/57/10/929465710.db2.gz KEYFVDQWLASBMH-UHFFFAOYSA-N 1 2 290.367 1.294 20 30 CDEDLO C[C@@H](C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1)NCC#N ZINC001134731938 929884986 /nfs/dbraw/zinc/88/49/86/929884986.db2.gz ADGHCLPNGDGEOA-QWRGUYRKSA-N 1 2 285.351 1.573 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccon1 ZINC001153012206 937409780 /nfs/dbraw/zinc/40/97/80/937409780.db2.gz FNLDAFYOQXCJLY-DOMZBBRYSA-N 1 2 295.383 1.328 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccon1 ZINC001153012206 937409782 /nfs/dbraw/zinc/40/97/82/937409782.db2.gz FNLDAFYOQXCJLY-DOMZBBRYSA-N 1 2 295.383 1.328 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000884102830 930442560 /nfs/dbraw/zinc/44/25/60/930442560.db2.gz OBDUDPUGHSMKIA-AVGNSLFASA-N 1 2 282.384 1.376 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000884136497 930455581 /nfs/dbraw/zinc/45/55/81/930455581.db2.gz OCBFQYUBFFSTAR-YIYPIFLZSA-N 1 2 294.395 1.613 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1c(C)cccc1F ZINC000884152960 930460802 /nfs/dbraw/zinc/46/08/02/930460802.db2.gz YTEAPZVYTVBDPT-ZDUSSCGKSA-N 1 2 294.326 1.197 20 30 CDEDLO C=CCCOCC(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001153080640 937418218 /nfs/dbraw/zinc/41/82/18/937418218.db2.gz AZKAWPFGYABJPB-UHFFFAOYSA-N 1 2 281.356 1.090 20 30 CDEDLO C#CCCN(CC(F)(F)F)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001116639278 937462402 /nfs/dbraw/zinc/46/24/02/937462402.db2.gz UGAQJLLNZJZBJG-JTQLQIEISA-N 1 2 273.258 1.858 20 30 CDEDLO C=C[C@@H](COC)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001116644664 937463273 /nfs/dbraw/zinc/46/32/73/937463273.db2.gz RODAPAGHVITWEH-LBPRGKRZSA-N 1 2 278.356 1.431 20 30 CDEDLO SCCCNc1cc(N2CCOCC2)nc[nH+]1 ZINC001159870011 931007356 /nfs/dbraw/zinc/00/73/56/931007356.db2.gz JAFFOLKUXJHKJO-UHFFFAOYSA-N 1 2 254.359 1.045 20 30 CDEDLO SCCCNc1cc(N2CCOCC2)[nH+]cn1 ZINC001159870011 931007362 /nfs/dbraw/zinc/00/73/62/931007362.db2.gz JAFFOLKUXJHKJO-UHFFFAOYSA-N 1 2 254.359 1.045 20 30 CDEDLO C[C@@]1(C#N)CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000887670482 931193794 /nfs/dbraw/zinc/19/37/94/931193794.db2.gz AKCUMUMDGWRCGM-MRXNPFEDSA-N 1 2 296.330 1.627 20 30 CDEDLO C=CCSc1ncccc1C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001274361341 931493774 /nfs/dbraw/zinc/49/37/74/931493774.db2.gz ZODNOHYZGKKINL-UHFFFAOYSA-N 1 2 289.404 1.890 20 30 CDEDLO C=CCSc1ncccc1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001274361341 931493775 /nfs/dbraw/zinc/49/37/75/931493775.db2.gz ZODNOHYZGKKINL-UHFFFAOYSA-N 1 2 289.404 1.890 20 30 CDEDLO C[N@@H+]1CCc2nc(C(=O)N3CCCC[C@@H]3C#N)sc2C1 ZINC001154218357 937518553 /nfs/dbraw/zinc/51/85/53/937518553.db2.gz IFCNYENWUPLZEL-SNVBAGLBSA-N 1 2 290.392 1.649 20 30 CDEDLO C[N@H+]1CCc2nc(C(=O)N3CCCC[C@@H]3C#N)sc2C1 ZINC001154218357 937518554 /nfs/dbraw/zinc/51/85/54/937518554.db2.gz IFCNYENWUPLZEL-SNVBAGLBSA-N 1 2 290.392 1.649 20 30 CDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)nc1 ZINC001144153517 931672264 /nfs/dbraw/zinc/67/22/64/931672264.db2.gz BSRGWZLJMUQKLB-NEPJUHHUSA-N 1 2 265.263 1.419 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)nc1 ZINC001144153517 931672268 /nfs/dbraw/zinc/67/22/68/931672268.db2.gz BSRGWZLJMUQKLB-NEPJUHHUSA-N 1 2 265.263 1.419 20 30 CDEDLO Cc1nc(-n2cncn2)cc(NCc2ncc(C#N)s2)[nH+]1 ZINC001161005236 932342903 /nfs/dbraw/zinc/34/29/03/932342903.db2.gz GLKMSRIDFKVMNI-UHFFFAOYSA-N 1 2 298.335 1.306 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC001148213525 932667818 /nfs/dbraw/zinc/66/78/18/932667818.db2.gz FOQFBMJKMIQEOC-UHFFFAOYSA-N 1 2 262.309 1.042 20 30 CDEDLO N#CC[C@@H](O)C[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000929652819 933254404 /nfs/dbraw/zinc/25/44/04/933254404.db2.gz YDWGKWIIZOXQSB-LLVKDONJSA-N 1 2 281.306 1.361 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2cccnc21 ZINC001038621821 935413634 /nfs/dbraw/zinc/41/36/34/935413634.db2.gz GZXKLLMUFMUCFZ-JKSUJKDBSA-N 1 2 297.402 1.715 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2cccnc21 ZINC001038621821 935413637 /nfs/dbraw/zinc/41/36/37/935413637.db2.gz GZXKLLMUFMUCFZ-JKSUJKDBSA-N 1 2 297.402 1.715 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2nc3c(s2)CCC3)C1 ZINC001015272019 935562861 /nfs/dbraw/zinc/56/28/61/935562861.db2.gz KPCWXFRANUJEDQ-NSHDSACASA-N 1 2 289.404 1.459 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2nc3c(s2)CCC3)C1 ZINC001015272019 935562863 /nfs/dbraw/zinc/56/28/63/935562863.db2.gz KPCWXFRANUJEDQ-NSHDSACASA-N 1 2 289.404 1.459 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1C/C=C/Cl ZINC001038267638 935738826 /nfs/dbraw/zinc/73/88/26/935738826.db2.gz WYSXYXBPGXJNEB-RIEYLSGKSA-N 1 2 298.814 1.911 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1C/C=C/Cl ZINC001038267638 935738827 /nfs/dbraw/zinc/73/88/27/935738827.db2.gz WYSXYXBPGXJNEB-RIEYLSGKSA-N 1 2 298.814 1.911 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(C(C)(C)C)c1 ZINC001038439344 935744399 /nfs/dbraw/zinc/74/43/99/935744399.db2.gz RJRXTTLCOCKTFD-CYBMUJFWSA-N 1 2 274.368 1.075 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(C(C)(C)C)c1 ZINC001038439344 935744403 /nfs/dbraw/zinc/74/44/03/935744403.db2.gz RJRXTTLCOCKTFD-CYBMUJFWSA-N 1 2 274.368 1.075 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2ccccc2n1C ZINC001038640880 935751464 /nfs/dbraw/zinc/75/14/64/935751464.db2.gz ZHSFQQVTOWPLLC-CQSZACIVSA-N 1 2 281.359 1.616 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2ccccc2n1C ZINC001038640880 935751466 /nfs/dbraw/zinc/75/14/66/935751466.db2.gz ZHSFQQVTOWPLLC-CQSZACIVSA-N 1 2 281.359 1.616 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)cc1 ZINC001038955034 935763100 /nfs/dbraw/zinc/76/31/00/935763100.db2.gz GKPQLDKABUFIRF-CQSZACIVSA-N 1 2 272.348 1.523 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)cc1 ZINC001038955034 935763102 /nfs/dbraw/zinc/76/31/02/935763102.db2.gz GKPQLDKABUFIRF-CQSZACIVSA-N 1 2 272.348 1.523 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001044144561 935853063 /nfs/dbraw/zinc/85/30/63/935853063.db2.gz FHXOWDPAKNKSJL-UHFFFAOYSA-N 1 2 285.391 1.673 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccnn2CC)C1 ZINC001046270993 935937899 /nfs/dbraw/zinc/93/78/99/935937899.db2.gz WONCMFVBABLCCA-AWEZNQCLSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccnn2CC)C1 ZINC001046270993 935937900 /nfs/dbraw/zinc/93/79/00/935937900.db2.gz WONCMFVBABLCCA-AWEZNQCLSA-N 1 2 296.802 1.850 20 30 CDEDLO C=CCCC(=O)N[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001096140978 935982169 /nfs/dbraw/zinc/98/21/69/935982169.db2.gz OXAHNUAPYDTPFL-ZDUSSCGKSA-N 1 2 274.368 1.836 20 30 CDEDLO C[C@H](C#N)OCCN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000801923037 936015899 /nfs/dbraw/zinc/01/58/99/936015899.db2.gz XAOXEMQKYSIRLU-HUUCEWRRSA-N 1 2 288.395 1.689 20 30 CDEDLO Cc1nc(N[C@@H](CNC(=O)C#CC(C)C)C2CC2)cc[nH+]1 ZINC001096648988 936202400 /nfs/dbraw/zinc/20/24/00/936202400.db2.gz SVHOXUSLVXSGHA-AWEZNQCLSA-N 1 2 286.379 1.751 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)C#Cc1ccccc1 ZINC001123921968 936246958 /nfs/dbraw/zinc/24/69/58/936246958.db2.gz RVRUYTLOEFFLCH-UHFFFAOYSA-N 1 2 253.305 1.131 20 30 CDEDLO C=C(C)CCC(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC001120678584 937825089 /nfs/dbraw/zinc/82/50/89/937825089.db2.gz IMEDBYRQZRNVQH-ZDUSSCGKSA-N 1 2 262.357 1.249 20 30 CDEDLO C=C(C)CN(C)c1nnc(C[NH+]2CCC(CO)CC2)n1C ZINC001121390024 937869773 /nfs/dbraw/zinc/86/97/73/937869773.db2.gz GUEOYFQZZKVSFF-UHFFFAOYSA-N 1 2 293.415 1.032 20 30 CDEDLO C=CCN(C)c1nnc(Cc2[nH+]ccn2C)n1CC=C ZINC001121714739 937881015 /nfs/dbraw/zinc/88/10/15/937881015.db2.gz CUGYOBLLTLINRM-UHFFFAOYSA-N 1 2 272.356 1.411 20 30 CDEDLO N#Cc1c[nH]c2c1cccc2C(=O)NCCn1cc[nH+]c1 ZINC001157160403 938461214 /nfs/dbraw/zinc/46/12/14/938461214.db2.gz RAGGNSNNENLUON-UHFFFAOYSA-N 1 2 279.303 1.666 20 30 CDEDLO N#Cc1c[nH]c2nc(N[C@@H]3CCC[N@@H+](C4COC4)C3)ncc12 ZINC001157585719 938516430 /nfs/dbraw/zinc/51/64/30/938516430.db2.gz LVXOIDGVRHNQGI-LLVKDONJSA-N 1 2 298.350 1.105 20 30 CDEDLO N#Cc1c[nH]c2nc(N[C@@H]3CCC[N@H+](C4COC4)C3)ncc12 ZINC001157585719 938516433 /nfs/dbraw/zinc/51/64/33/938516433.db2.gz LVXOIDGVRHNQGI-LLVKDONJSA-N 1 2 298.350 1.105 20 30 CDEDLO C=C[C@@H](CO)Nc1nc(NC(C)C)c(OC)c[nH+]1 ZINC001158813551 938665625 /nfs/dbraw/zinc/66/56/25/938665625.db2.gz SSSZBKFTDMWDMD-VIFPVBQESA-N 1 2 252.318 1.264 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ncc(OC)cc2Cl)CC1 ZINC001238487600 945200498 /nfs/dbraw/zinc/20/04/98/945200498.db2.gz LRVVAFHPANPDQS-UHFFFAOYSA-N 1 2 279.771 1.494 20 30 CDEDLO O=C(C#CC1CC1)NCCC1=CC[N@H+](Cc2ccon2)CC1 ZINC001160081542 938768348 /nfs/dbraw/zinc/76/83/48/938768348.db2.gz PCDAKPXIVURJJF-UHFFFAOYSA-N 1 2 299.374 1.726 20 30 CDEDLO O=C(C#CC1CC1)NCCC1=CC[N@@H+](Cc2ccon2)CC1 ZINC001160081542 938768349 /nfs/dbraw/zinc/76/83/49/938768349.db2.gz PCDAKPXIVURJJF-UHFFFAOYSA-N 1 2 299.374 1.726 20 30 CDEDLO C#CCNc1ccc(C[NH+]2CCOCC2)cc1OC ZINC001163372515 939258305 /nfs/dbraw/zinc/25/83/05/939258305.db2.gz OLVVUFGPGXTCOO-UHFFFAOYSA-N 1 2 260.337 1.573 20 30 CDEDLO Cc1cc(N(C(N)=[NH2+])c2cc(C)c(C#N)cn2)n[nH]1 ZINC001163507718 939278384 /nfs/dbraw/zinc/27/83/84/939278384.db2.gz BBTCPYIXYUXMIO-UHFFFAOYSA-N 1 2 255.285 1.325 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001164323130 939455734 /nfs/dbraw/zinc/45/57/34/939455734.db2.gz CIJVLGOUJFPWPA-LBPRGKRZSA-N 1 2 294.399 1.830 20 30 CDEDLO N#Cc1c(Cl)nccc1C(F)(F)N1CC[NH2+]C[C@H]1C#N ZINC001164641556 939501144 /nfs/dbraw/zinc/50/11/44/939501144.db2.gz MUVOSSFHJBVOEE-MRVPVSSYSA-N 1 2 297.696 1.453 20 30 CDEDLO Cc1cccc2ncc(N3CC[NH2+]C[C@H]3C#N)nc12 ZINC001164641224 939501336 /nfs/dbraw/zinc/50/13/36/939501336.db2.gz HKAYAUZFLKPRQS-LLVKDONJSA-N 1 2 253.309 1.240 20 30 CDEDLO CN(C)c1ccc(Cn2cnc(C#N)c2C#N)c[nH+]1 ZINC001165944062 939586951 /nfs/dbraw/zinc/58/69/51/939586951.db2.gz FAABOLUCUIWSKD-UHFFFAOYSA-N 1 2 252.281 1.136 20 30 CDEDLO C=C1CC(C)(C(=O)NCCC[NH2+]Cc2noc(CC)n2)C1 ZINC001166249344 939601499 /nfs/dbraw/zinc/60/14/99/939601499.db2.gz RLEXLKLYNCYNHS-UHFFFAOYSA-N 1 2 292.383 1.584 20 30 CDEDLO C[N@H+](C1COC1)C1CN(Cc2ccc(F)c(C#N)c2)C1 ZINC001205493820 939893180 /nfs/dbraw/zinc/89/31/80/939893180.db2.gz SYRDVBXKKLCCBQ-UHFFFAOYSA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@@H+](C1COC1)C1CN(Cc2ccc(F)c(C#N)c2)C1 ZINC001205493820 939893184 /nfs/dbraw/zinc/89/31/84/939893184.db2.gz SYRDVBXKKLCCBQ-UHFFFAOYSA-N 1 2 275.327 1.212 20 30 CDEDLO Cc1nccc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)n1 ZINC001207169045 940162759 /nfs/dbraw/zinc/16/27/59/940162759.db2.gz RYRCYBWFXHZRHB-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](CC(=O)OCC)C2 ZINC001207416232 940191239 /nfs/dbraw/zinc/19/12/39/940191239.db2.gz MWLNWESXTUGCNB-HIFRSBDPSA-N 1 2 283.368 1.376 20 30 CDEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](CC(=O)OCC)C2 ZINC001207416232 940191241 /nfs/dbraw/zinc/19/12/41/940191241.db2.gz MWLNWESXTUGCNB-HIFRSBDPSA-N 1 2 283.368 1.376 20 30 CDEDLO CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001208956240 940411952 /nfs/dbraw/zinc/41/19/52/940411952.db2.gz BDZMQUAFLHDOQB-GXTWGEPZSA-N 1 2 294.420 1.519 20 30 CDEDLO CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001208956240 940411955 /nfs/dbraw/zinc/41/19/55/940411955.db2.gz BDZMQUAFLHDOQB-GXTWGEPZSA-N 1 2 294.420 1.519 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)COCCCCCC)[C@H](OC)C1 ZINC001213778769 940786128 /nfs/dbraw/zinc/78/61/28/940786128.db2.gz ACCOKAUZMDFLQV-HUUCEWRRSA-N 1 2 296.411 1.032 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)COCCCCCC)[C@H](OC)C1 ZINC001213778769 940786130 /nfs/dbraw/zinc/78/61/30/940786130.db2.gz ACCOKAUZMDFLQV-HUUCEWRRSA-N 1 2 296.411 1.032 20 30 CDEDLO CC#CC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001214672674 940836155 /nfs/dbraw/zinc/83/61/55/940836155.db2.gz SGXIDJQBHFQXGE-OPRDCNLKSA-N 1 2 280.265 1.347 20 30 CDEDLO CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C ZINC001214672674 940836156 /nfs/dbraw/zinc/83/61/56/940836156.db2.gz SGXIDJQBHFQXGE-OPRDCNLKSA-N 1 2 280.265 1.347 20 30 CDEDLO Cc1nc(C#N)c(NC(=O)c2cnc([C@H](C)[NH3+])s2)o1 ZINC001218649561 941251550 /nfs/dbraw/zinc/25/15/50/941251550.db2.gz DWNAEOONTHDEEV-YFKPBYRVSA-N 1 2 277.309 1.583 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)CC(C)C)[C@H]2C1 ZINC001218924928 941289003 /nfs/dbraw/zinc/28/90/03/941289003.db2.gz LAMBFEYFMVPUPI-HRCADAONSA-N 1 2 292.423 1.604 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)CC(C)C)[C@H]2C1 ZINC001218924928 941289007 /nfs/dbraw/zinc/28/90/07/941289007.db2.gz LAMBFEYFMVPUPI-HRCADAONSA-N 1 2 292.423 1.604 20 30 CDEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](F)CC)C[C@@H]2O)CCC1 ZINC001220295366 941434056 /nfs/dbraw/zinc/43/40/56/941434056.db2.gz NDAKFMKDXIJHAX-MJBXVCDLSA-N 1 2 298.402 1.642 20 30 CDEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](F)CC)C[C@@H]2O)CCC1 ZINC001220295366 941434059 /nfs/dbraw/zinc/43/40/59/941434059.db2.gz NDAKFMKDXIJHAX-MJBXVCDLSA-N 1 2 298.402 1.642 20 30 CDEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCCC)C[C@H]21 ZINC001221424656 941534217 /nfs/dbraw/zinc/53/42/17/941534217.db2.gz JZFDZKSHYFQDHY-ZIAGYGMSSA-N 1 2 293.411 1.012 20 30 CDEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCCC)C[C@H]21 ZINC001221424656 941534218 /nfs/dbraw/zinc/53/42/18/941534218.db2.gz JZFDZKSHYFQDHY-ZIAGYGMSSA-N 1 2 293.411 1.012 20 30 CDEDLO C#C[C@@H](OCCCCC(=[NH2+])OCC)C(=O)OCC ZINC001224966321 941810251 /nfs/dbraw/zinc/81/02/51/941810251.db2.gz PQHDOVMLMIVMER-LLVKDONJSA-N 1 2 255.314 1.752 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4ccc(=O)oc4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226904630 942092101 /nfs/dbraw/zinc/09/21/01/942092101.db2.gz HZOKJKKEFSKAOL-DZZGSBJMSA-N 1 2 299.326 1.784 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4ccc(=O)oc4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226904630 942092105 /nfs/dbraw/zinc/09/21/05/942092105.db2.gz HZOKJKKEFSKAOL-DZZGSBJMSA-N 1 2 299.326 1.784 20 30 CDEDLO C#C[C@@H](Oc1ccc2[nH]c(C)[nH+]c2c1)C(=O)OCC ZINC001228329170 942301024 /nfs/dbraw/zinc/30/10/24/942301024.db2.gz LUCRAPCQVNBTAZ-CYBMUJFWSA-N 1 2 258.277 1.815 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cnc(C4CC4)nc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230751262 942688503 /nfs/dbraw/zinc/68/85/03/942688503.db2.gz XWALSUHFWRDPGA-VSSGSJIUSA-N 1 2 273.336 1.345 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cnc(C4CC4)nc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230751262 942688507 /nfs/dbraw/zinc/68/85/07/942688507.db2.gz XWALSUHFWRDPGA-VSSGSJIUSA-N 1 2 273.336 1.345 20 30 CDEDLO Cc1cccc2c(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@H+]4C)ncnc12 ZINC001230816656 942706812 /nfs/dbraw/zinc/70/68/12/942706812.db2.gz IMWVIGGTPHZQHP-UCHAVSLVSA-N 1 2 297.358 1.929 20 30 CDEDLO Cc1cccc2c(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@@H+]4C)ncnc12 ZINC001230816656 942706818 /nfs/dbraw/zinc/70/68/18/942706818.db2.gz IMWVIGGTPHZQHP-UCHAVSLVSA-N 1 2 297.358 1.929 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cncn1C ZINC001231113548 942789568 /nfs/dbraw/zinc/78/95/68/942789568.db2.gz IKCDNLANZJTBAG-CYBMUJFWSA-N 1 2 276.384 1.419 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cncn1C ZINC001231113548 942789569 /nfs/dbraw/zinc/78/95/69/942789569.db2.gz IKCDNLANZJTBAG-CYBMUJFWSA-N 1 2 276.384 1.419 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NCCCC ZINC001231121261 942793351 /nfs/dbraw/zinc/79/33/51/942793351.db2.gz BDXMRECXUAGKPY-AWEZNQCLSA-N 1 2 295.427 1.402 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NCCCC ZINC001231121261 942793358 /nfs/dbraw/zinc/79/33/58/942793358.db2.gz BDXMRECXUAGKPY-AWEZNQCLSA-N 1 2 295.427 1.402 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)CSC ZINC001231234545 942827343 /nfs/dbraw/zinc/82/73/43/942827343.db2.gz UJNVCMWBHJWHFH-KGLIPLIRSA-N 1 2 298.452 1.168 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)CSC ZINC001231234545 942827348 /nfs/dbraw/zinc/82/73/48/942827348.db2.gz UJNVCMWBHJWHFH-KGLIPLIRSA-N 1 2 298.452 1.168 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001231247223 942832212 /nfs/dbraw/zinc/83/22/12/942832212.db2.gz LUZDZUKGSFVNIL-NVXWUHKLSA-N 1 2 295.386 1.730 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001231247223 942832214 /nfs/dbraw/zinc/83/22/14/942832214.db2.gz LUZDZUKGSFVNIL-NVXWUHKLSA-N 1 2 295.386 1.730 20 30 CDEDLO C=CCN1CC[NH+](Cc2cc3ncccc3[nH]2)CC1 ZINC001232070829 943124935 /nfs/dbraw/zinc/12/49/35/943124935.db2.gz YKMHYQZOYSPJPI-UHFFFAOYSA-N 1 2 256.353 1.867 20 30 CDEDLO Cn1cc(C[NH+]2CC3(CN(c4ncccn4)C3)C2)cc1C#N ZINC001277668977 943285685 /nfs/dbraw/zinc/28/56/85/943285685.db2.gz OQWZUMBMOIJPTQ-UHFFFAOYSA-N 1 2 294.362 1.009 20 30 CDEDLO C[N@H+](Cc1cc(C#N)ccc1O)C1CCS(=O)(=O)CC1 ZINC001232679004 943360291 /nfs/dbraw/zinc/36/02/91/943360291.db2.gz YDYNPJNYQLZGEC-UHFFFAOYSA-N 1 2 294.376 1.273 20 30 CDEDLO C[N@@H+](Cc1cc(C#N)ccc1O)C1CCS(=O)(=O)CC1 ZINC001232679004 943360300 /nfs/dbraw/zinc/36/03/00/943360300.db2.gz YDYNPJNYQLZGEC-UHFFFAOYSA-N 1 2 294.376 1.273 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232679094 943361170 /nfs/dbraw/zinc/36/11/70/943361170.db2.gz ZYRPOMJMWNCAGO-RISCZKNCSA-N 1 2 288.347 1.895 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](C)C[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232679094 943361174 /nfs/dbraw/zinc/36/11/74/943361174.db2.gz ZYRPOMJMWNCAGO-RISCZKNCSA-N 1 2 288.347 1.895 20 30 CDEDLO C[N@H+](Cc1cncnc1)Cc1cc(C#N)ccc1O ZINC001232681240 943363614 /nfs/dbraw/zinc/36/36/14/943363614.db2.gz NVMAOYPJQYLMGB-UHFFFAOYSA-N 1 2 254.293 1.686 20 30 CDEDLO C[N@@H+](Cc1cncnc1)Cc1cc(C#N)ccc1O ZINC001232681240 943363617 /nfs/dbraw/zinc/36/36/17/943363617.db2.gz NVMAOYPJQYLMGB-UHFFFAOYSA-N 1 2 254.293 1.686 20 30 CDEDLO COC[C@@H]1CC[N@@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233103389 943490817 /nfs/dbraw/zinc/49/08/17/943490817.db2.gz GBETUZYMQCXMKK-LBPRGKRZSA-N 1 2 277.343 1.984 20 30 CDEDLO COC[C@@H]1CC[N@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233103389 943490819 /nfs/dbraw/zinc/49/08/19/943490819.db2.gz GBETUZYMQCXMKK-LBPRGKRZSA-N 1 2 277.343 1.984 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3ccncn3)CC2)c(O)c1 ZINC001233387048 943574622 /nfs/dbraw/zinc/57/46/22/943574622.db2.gz RSIITKSFQFEZPY-UHFFFAOYSA-N 1 2 295.346 1.376 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cnn(C)c1 ZINC001233965965 943703764 /nfs/dbraw/zinc/70/37/64/943703764.db2.gz HJADEKLJNLLIBM-HNNXBMFYSA-N 1 2 288.395 1.256 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cnn(C)c1 ZINC001233965965 943703768 /nfs/dbraw/zinc/70/37/68/943703768.db2.gz HJADEKLJNLLIBM-HNNXBMFYSA-N 1 2 288.395 1.256 20 30 CDEDLO C=CCN(C)c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1C ZINC001262914057 943711204 /nfs/dbraw/zinc/71/12/04/943711204.db2.gz YMUJJQYKERXWGR-LBPRGKRZSA-N 1 2 279.388 1.219 20 30 CDEDLO C=CCN(C)c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1C ZINC001262914057 943711205 /nfs/dbraw/zinc/71/12/05/943711205.db2.gz YMUJJQYKERXWGR-LBPRGKRZSA-N 1 2 279.388 1.219 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C)CC1 ZINC001234468443 943853278 /nfs/dbraw/zinc/85/32/78/943853278.db2.gz ZJKZNQQHFOOSQK-STQMWFEESA-N 1 2 293.411 1.010 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1(C)CC1 ZINC001234468443 943853283 /nfs/dbraw/zinc/85/32/83/943853283.db2.gz ZJKZNQQHFOOSQK-STQMWFEESA-N 1 2 293.411 1.010 20 30 CDEDLO Cc1ncsc1C[N@@H+]1CCC12CN(CCC#N)C2 ZINC001277939561 944134536 /nfs/dbraw/zinc/13/45/36/944134536.db2.gz XFFIVKWUNRPPHA-UHFFFAOYSA-N 1 2 262.382 1.625 20 30 CDEDLO Cc1ncsc1C[N@H+]1CCC12CN(CCC#N)C2 ZINC001277939561 944134538 /nfs/dbraw/zinc/13/45/38/944134538.db2.gz XFFIVKWUNRPPHA-UHFFFAOYSA-N 1 2 262.382 1.625 20 30 CDEDLO Cn1c[nH+]c2c1CCN(Cc1cn3cc(C#N)ccc3n1)C2 ZINC001237607651 944880000 /nfs/dbraw/zinc/88/00/00/944880000.db2.gz YXAWDEKMLTYBRK-UHFFFAOYSA-N 1 2 292.346 1.498 20 30 CDEDLO CN(C)C(=O)C1C[NH+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237751605 944944959 /nfs/dbraw/zinc/94/49/59/944944959.db2.gz MSGVWOQHVCDHJJ-UHFFFAOYSA-N 1 2 277.755 1.732 20 30 CDEDLO C=CCS(=O)(=O)N1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001259926520 945710188 /nfs/dbraw/zinc/71/01/88/945710188.db2.gz XIDWTBMBBAANSD-UHFFFAOYSA-N 1 2 295.408 1.445 20 30 CDEDLO C=CCN(Cc1ccccc1)[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246841491 948471848 /nfs/dbraw/zinc/47/18/48/948471848.db2.gz UTQLXBYRSBVYRF-CABCVRRESA-N 1 2 274.364 1.578 20 30 CDEDLO COC[C@@H]([NH3+])c1nc(-c2ccc(C#N)c(C)c2)no1 ZINC001248185922 948959285 /nfs/dbraw/zinc/95/92/85/948959285.db2.gz GTMJBIFKWYDXRT-LLVKDONJSA-N 1 2 258.281 1.563 20 30 CDEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC001362795680 971626042 /nfs/dbraw/zinc/62/60/42/971626042.db2.gz BMHJIRXDIGZNFW-JKSUJKDBSA-N 1 2 292.342 1.901 20 30 CDEDLO C#CCCc1nc2cc(C(=O)N3CC[NH+](C)CC3)ccc2[nH]1 ZINC001250606487 950266760 /nfs/dbraw/zinc/26/67/60/950266760.db2.gz QGTLYTDXFUBQID-UHFFFAOYSA-N 1 2 296.374 1.516 20 30 CDEDLO CC[N@H+](CCC#N)C[C@H](O)COc1cccc(F)c1 ZINC001250804794 950384438 /nfs/dbraw/zinc/38/44/38/950384438.db2.gz XTPCVSMVJKMRGQ-ZDUSSCGKSA-N 1 2 266.316 1.801 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1cccc(F)c1 ZINC001250804794 950384456 /nfs/dbraw/zinc/38/44/56/950384456.db2.gz XTPCVSMVJKMRGQ-ZDUSSCGKSA-N 1 2 266.316 1.801 20 30 CDEDLO N#Cc1ccc2c(c1)C[N@H+](C[C@@H](O)C(F)(F)F)CC2 ZINC001250964726 950497677 /nfs/dbraw/zinc/49/76/77/950497677.db2.gz NJTGBSPGLJXXKF-GFCCVEGCSA-N 1 2 270.254 1.840 20 30 CDEDLO N#Cc1ccc2c(c1)C[N@@H+](C[C@@H](O)C(F)(F)F)CC2 ZINC001250964726 950497687 /nfs/dbraw/zinc/49/76/87/950497687.db2.gz NJTGBSPGLJXXKF-GFCCVEGCSA-N 1 2 270.254 1.840 20 30 CDEDLO C=CCOC[C@@H](O)CNc1cccc(-n2cc[nH+]c2)c1 ZINC001252470975 951323831 /nfs/dbraw/zinc/32/38/31/951323831.db2.gz AJWAYGXVAKDEDJ-HNNXBMFYSA-N 1 2 273.336 1.848 20 30 CDEDLO C=CCOC[C@@H](O)C[NH2+][C@@H](CC1CCCCC1)C(=O)OC ZINC001252488095 951353253 /nfs/dbraw/zinc/35/32/53/951353253.db2.gz FSIJFQIERCMUKS-GJZGRUSLSA-N 1 2 299.411 1.652 20 30 CDEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+]C[C@](C)(O)C=C ZINC001252574356 951466150 /nfs/dbraw/zinc/46/61/50/951466150.db2.gz NZPXMLOHXPVOAQ-GXTWGEPZSA-N 1 2 255.358 1.657 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1Cc2nnn(CC)c2[C@H](COC)C1 ZINC001252594699 951487312 /nfs/dbraw/zinc/48/73/12/951487312.db2.gz APPYMKVLAQCYHB-STQMWFEESA-N 1 2 294.399 1.171 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1Cc2nnn(CC)c2[C@H](COC)C1 ZINC001252594699 951487319 /nfs/dbraw/zinc/48/73/19/951487319.db2.gz APPYMKVLAQCYHB-STQMWFEESA-N 1 2 294.399 1.171 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCc2[nH]nc(C(=O)OCC)c2C1 ZINC001252602518 951496510 /nfs/dbraw/zinc/49/65/10/951496510.db2.gz SVVLPFVXFIFBNW-NSHDSACASA-N 1 2 293.367 1.272 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCc2[nH]nc(C(=O)OCC)c2C1 ZINC001252602518 951496517 /nfs/dbraw/zinc/49/65/17/951496517.db2.gz SVVLPFVXFIFBNW-NSHDSACASA-N 1 2 293.367 1.272 20 30 CDEDLO COc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001252889629 951698343 /nfs/dbraw/zinc/69/83/43/951698343.db2.gz APNCSGFKWGJTCJ-XJKSGUPXSA-N 1 2 290.363 1.670 20 30 CDEDLO COc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC001252889629 951698348 /nfs/dbraw/zinc/69/83/48/951698348.db2.gz APNCSGFKWGJTCJ-XJKSGUPXSA-N 1 2 290.363 1.670 20 30 CDEDLO C=C[C@@H](O)CNc1ccc([NH+]2CCC(O)CC2)cc1 ZINC001253591111 951983295 /nfs/dbraw/zinc/98/32/95/951983295.db2.gz RVJDBGAHZOZQTF-CQSZACIVSA-N 1 2 262.353 1.607 20 30 CDEDLO C[N@H+](CCNC(=O)c1ccccn1)Cc1ccccc1C#N ZINC001480836481 971902871 /nfs/dbraw/zinc/90/28/71/971902871.db2.gz NQBJKUCLOPTJKI-UHFFFAOYSA-N 1 2 294.358 1.815 20 30 CDEDLO C[N@@H+](CCNC(=O)c1ccccn1)Cc1ccccc1C#N ZINC001480836481 971902874 /nfs/dbraw/zinc/90/28/74/971902874.db2.gz NQBJKUCLOPTJKI-UHFFFAOYSA-N 1 2 294.358 1.815 20 30 CDEDLO C=CCONC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001324739081 953554246 /nfs/dbraw/zinc/55/42/46/953554246.db2.gz GTKLMCPXISLBEA-GFCCVEGCSA-N 1 2 278.356 1.502 20 30 CDEDLO CCOC(=O)c1cc(C[NH2+][C@@H](CC)CC#N)[nH]n1 ZINC001326302272 954308746 /nfs/dbraw/zinc/30/87/46/954308746.db2.gz FJVKJFGYVSIPPF-VIFPVBQESA-N 1 2 250.302 1.368 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC001364932518 955392809 /nfs/dbraw/zinc/39/28/09/955392809.db2.gz YWQPTBDQZVGEMG-SECBINFHSA-N 1 2 272.395 1.933 20 30 CDEDLO CC(C)(CC#N)CS(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001365382946 955982073 /nfs/dbraw/zinc/98/20/73/955982073.db2.gz XEUJOFGNUAXYJK-NSHDSACASA-N 1 2 296.396 1.057 20 30 CDEDLO C=CC[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)OCC ZINC001329658544 956051507 /nfs/dbraw/zinc/05/15/07/956051507.db2.gz GTPJGMNOZZQWGA-RYUDHWBXSA-N 1 2 279.340 1.458 20 30 CDEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](c2ncccn2)C1 ZINC001308115820 956473272 /nfs/dbraw/zinc/47/32/72/956473272.db2.gz YROSIABPJCHWQX-NEPJUHHUSA-N 1 2 261.325 1.384 20 30 CDEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](c2ncccn2)C1 ZINC001308115820 956473279 /nfs/dbraw/zinc/47/32/79/956473279.db2.gz YROSIABPJCHWQX-NEPJUHHUSA-N 1 2 261.325 1.384 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC001312709114 956813645 /nfs/dbraw/zinc/81/36/45/956813645.db2.gz FVUJIXRHXHICLJ-UPJWGTAASA-N 1 2 290.367 1.263 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CC2(O)CCC2)C1 ZINC001367059370 957372523 /nfs/dbraw/zinc/37/25/23/957372523.db2.gz ZQOSHIYLWQTAJD-GFCCVEGCSA-N 1 2 286.803 1.577 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CC2(O)CCC2)C1 ZINC001367059370 957372529 /nfs/dbraw/zinc/37/25/29/957372529.db2.gz ZQOSHIYLWQTAJD-GFCCVEGCSA-N 1 2 286.803 1.577 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)COC ZINC001424976039 957431890 /nfs/dbraw/zinc/43/18/90/957431890.db2.gz AMVOTBVSKWZZCP-LLVKDONJSA-N 1 2 276.808 1.848 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C(C)(C)COC ZINC001424976039 957431893 /nfs/dbraw/zinc/43/18/93/957431893.db2.gz AMVOTBVSKWZZCP-LLVKDONJSA-N 1 2 276.808 1.848 20 30 CDEDLO C=C[C@H](COC)NC(=O)[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC001320316956 959077656 /nfs/dbraw/zinc/07/76/56/959077656.db2.gz KLQBKTXSVNWFHN-CABCVRRESA-N 1 2 298.427 1.441 20 30 CDEDLO N#CC1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCSCC1 ZINC001335773037 960019296 /nfs/dbraw/zinc/01/92/96/960019296.db2.gz BCXLYPHCAFNCPI-NSHDSACASA-N 1 2 290.392 1.351 20 30 CDEDLO C=C(Cl)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)CCC)n1 ZINC001418743012 960970344 /nfs/dbraw/zinc/97/03/44/960970344.db2.gz QVWCSZNYUIOXPZ-UHFFFAOYSA-N 1 2 298.774 1.441 20 30 CDEDLO C=C(C)CCC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001338804025 962001658 /nfs/dbraw/zinc/00/16/58/962001658.db2.gz CDSADFCFXHNZEX-HNNXBMFYSA-N 1 2 298.452 1.667 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccc2n[nH]nc2c1 ZINC001437568005 963023487 /nfs/dbraw/zinc/02/34/87/963023487.db2.gz ZZJBWBMHOYKEJL-UHFFFAOYSA-N 1 2 293.758 1.372 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccc2n[nH]nc2c1 ZINC001437568005 963023500 /nfs/dbraw/zinc/02/35/00/963023500.db2.gz ZZJBWBMHOYKEJL-UHFFFAOYSA-N 1 2 293.758 1.372 20 30 CDEDLO C=CCNC(=S)N[NH+]=C1CCN(C)c2ccccc21 ZINC001340932630 963198801 /nfs/dbraw/zinc/19/88/01/963198801.db2.gz LZYMXTZHBAFULN-UHFFFAOYSA-N 1 2 274.393 1.881 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCc1c[nH+]cn1C ZINC001343468987 963997506 /nfs/dbraw/zinc/99/75/06/963997506.db2.gz MXVYELIVRROTRO-RYUDHWBXSA-N 1 2 250.298 1.445 20 30 CDEDLO C#CCOCCC(=O)OCCc1cn2c([nH+]1)CCCC2 ZINC001346112003 964932325 /nfs/dbraw/zinc/93/23/25/964932325.db2.gz NSJPBYUQFXEVHT-UHFFFAOYSA-N 1 2 276.336 1.345 20 30 CDEDLO C=C(CC(C)C)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC001347570382 965601515 /nfs/dbraw/zinc/60/15/15/965601515.db2.gz ARSPQHVVFFJRMU-HUUCEWRRSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1c[nH]nc1C ZINC001448074657 966987239 /nfs/dbraw/zinc/98/72/39/966987239.db2.gz RDNUTQWVPHGXRR-SECBINFHSA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1c[nH]nc1C ZINC001448074657 966987243 /nfs/dbraw/zinc/98/72/43/966987243.db2.gz RDNUTQWVPHGXRR-SECBINFHSA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Br)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001542487710 967230857 /nfs/dbraw/zinc/23/08/57/967230857.db2.gz XGEMRTQKVASACQ-MRVPVSSYSA-N 1 2 261.163 1.353 20 30 CDEDLO C=C(Br)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001542487710 967230861 /nfs/dbraw/zinc/23/08/61/967230861.db2.gz XGEMRTQKVASACQ-MRVPVSSYSA-N 1 2 261.163 1.353 20 30 CDEDLO C=CCNC(=S)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001200290410 967851396 /nfs/dbraw/zinc/85/13/96/967851396.db2.gz IIEFMSVJCGDSAW-CYBMUJFWSA-N 1 2 277.393 1.985 20 30 CDEDLO C=CCNC(=S)NCC1CCN(c2cccc[nH+]2)CC1 ZINC001200298885 967879691 /nfs/dbraw/zinc/87/96/91/967879691.db2.gz CMTFNUDWQBESAN-UHFFFAOYSA-N 1 2 290.436 1.948 20 30 CDEDLO N#Cc1sccc1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC001464852288 969824716 /nfs/dbraw/zinc/82/47/16/969824716.db2.gz AUIWFHUXJMTEIC-UHFFFAOYSA-N 1 2 285.328 1.918 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccnc(OC)n1 ZINC001375077482 974251755 /nfs/dbraw/zinc/25/17/55/974251755.db2.gz WZDJDDWPORLGRA-JTQLQIEISA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccnc(OC)n1 ZINC001375077482 974251761 /nfs/dbraw/zinc/25/17/61/974251761.db2.gz WZDJDDWPORLGRA-JTQLQIEISA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H](O)C(C)C)C1 ZINC001500214118 974405008 /nfs/dbraw/zinc/40/50/08/974405008.db2.gz FMFKGHXSSCQFKJ-DGCLKSJQSA-N 1 2 274.792 1.336 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H](O)C(C)C)C1 ZINC001500214118 974405010 /nfs/dbraw/zinc/40/50/10/974405010.db2.gz FMFKGHXSSCQFKJ-DGCLKSJQSA-N 1 2 274.792 1.336 20 30 CDEDLO Cc1nnc([C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)[nH]1 ZINC001502166652 974713424 /nfs/dbraw/zinc/71/34/24/974713424.db2.gz FCERDSBQDWNBIC-WDEREUQCSA-N 1 2 292.387 1.114 20 30 CDEDLO Cc1nnc([C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)[nH]1 ZINC001502166652 974713427 /nfs/dbraw/zinc/71/34/27/974713427.db2.gz FCERDSBQDWNBIC-WDEREUQCSA-N 1 2 292.387 1.114 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C1=COCCC1 ZINC001403095977 976705058 /nfs/dbraw/zinc/70/50/58/976705058.db2.gz DKMWQCZIWJEPJL-NSHDSACASA-N 1 2 272.776 1.870 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C1=COCCC1 ZINC001403095977 976705049 /nfs/dbraw/zinc/70/50/49/976705049.db2.gz DKMWQCZIWJEPJL-NSHDSACASA-N 1 2 272.776 1.870 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cn(C)nc1C ZINC001403119728 976736446 /nfs/dbraw/zinc/73/64/46/976736446.db2.gz MZMNMOIJZPKABL-JTQLQIEISA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cn(C)nc1C ZINC001403119728 976736456 /nfs/dbraw/zinc/73/64/56/976736456.db2.gz MZMNMOIJZPKABL-JTQLQIEISA-N 1 2 284.791 1.531 20 30 CDEDLO CCc1[nH]c(CNS(=O)(=O)c2ccc(C#N)s2)c[nH+]1 ZINC001414356927 977165409 /nfs/dbraw/zinc/16/54/09/977165409.db2.gz LNGXEOXKXJBLGY-UHFFFAOYSA-N 1 2 296.377 1.384 20 30 CDEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)COCC)CC2 ZINC001392024610 977185380 /nfs/dbraw/zinc/18/53/80/977185380.db2.gz WTFMNSCIWNIPMF-UHFFFAOYSA-N 1 2 286.803 1.700 20 30 CDEDLO CC#CCCCC(=O)NCC[NH2+]Cc1nc(CCC)no1 ZINC001132591844 1163392656 /nfs/dbraw/zinc/39/26/56/1163392656.db2.gz XXGYGJTVEKAIRX-UHFFFAOYSA-N 1 2 292.383 1.422 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001133154395 1163585882 /nfs/dbraw/zinc/58/58/82/1163585882.db2.gz INTLCBIXVDSROV-UHFFFAOYSA-N 1 2 251.330 1.545 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[NH2+][C@H](C)c2nnc(C)o2)C1 ZINC001133565871 1163788786 /nfs/dbraw/zinc/78/87/86/1163788786.db2.gz MKRPNARCBCNDLB-SNVBAGLBSA-N 1 2 278.356 1.501 20 30 CDEDLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191384261 342464124 /nfs/dbraw/zinc/46/41/24/342464124.db2.gz SUSKWLTYWUXABY-AWEZNQCLSA-N 1 2 275.352 1.813 20 30 CDEDLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191384261 342464125 /nfs/dbraw/zinc/46/41/25/342464125.db2.gz SUSKWLTYWUXABY-AWEZNQCLSA-N 1 2 275.352 1.813 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc(O)cc(C#N)c2)C1 ZINC000589195086 342499388 /nfs/dbraw/zinc/49/93/88/342499388.db2.gz IESFAVKAMLTLTL-GFCCVEGCSA-N 1 2 296.330 1.627 20 30 CDEDLO C=CCOCC[N@@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000590162443 342523759 /nfs/dbraw/zinc/52/37/59/342523759.db2.gz BJBRQIQYGJGUSL-LBPRGKRZSA-N 1 2 271.357 1.232 20 30 CDEDLO C=CCOCC[N@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000590162443 342523760 /nfs/dbraw/zinc/52/37/60/342523760.db2.gz BJBRQIQYGJGUSL-LBPRGKRZSA-N 1 2 271.357 1.232 20 30 CDEDLO N#C[C@H](c1ccccc1)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000178868287 342532834 /nfs/dbraw/zinc/53/28/34/342532834.db2.gz REOBEWQXWZJGNW-MRXNPFEDSA-N 1 2 281.363 1.792 20 30 CDEDLO N#C[C@H](c1ccccc1)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000178868287 342532835 /nfs/dbraw/zinc/53/28/35/342532835.db2.gz REOBEWQXWZJGNW-MRXNPFEDSA-N 1 2 281.363 1.792 20 30 CDEDLO C=CCCCC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000479024239 365542775 /nfs/dbraw/zinc/54/27/75/365542775.db2.gz VRAHVPZQTDRJDE-OAHLLOKOSA-N 1 2 296.411 1.292 20 30 CDEDLO N#Cc1nc(NCCCn2cc[nH+]c2)sc1Cl ZINC000590569415 342576369 /nfs/dbraw/zinc/57/63/69/342576369.db2.gz ONEFPARDJZGUCR-UHFFFAOYSA-N 1 2 267.745 1.789 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000127794303 187333761 /nfs/dbraw/zinc/33/37/61/187333761.db2.gz YNLFIDGHASAZBQ-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO CO[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000201217314 342057706 /nfs/dbraw/zinc/05/77/06/342057706.db2.gz WZYMAZUSXLZZKJ-UHFFFAOYSA-N 1 2 279.340 1.978 20 30 CDEDLO COC[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1ccco1 ZINC000565303619 365624931 /nfs/dbraw/zinc/62/49/31/365624931.db2.gz UQFYXXQSFPBUKF-CYBMUJFWSA-N 1 2 297.318 1.671 20 30 CDEDLO N#Cc1ccc(CNC(=O)NCCNc2cccc[nH+]2)cc1 ZINC000047501068 342101576 /nfs/dbraw/zinc/10/15/76/342101576.db2.gz FYRVYRGBNSNGDG-UHFFFAOYSA-N 1 2 295.346 1.865 20 30 CDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000047931810 342146772 /nfs/dbraw/zinc/14/67/72/342146772.db2.gz LPIWPEGZRJYWNO-QWHCGFSZSA-N 1 2 298.346 1.727 20 30 CDEDLO COc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc1O ZINC000591756681 342643847 /nfs/dbraw/zinc/64/38/47/342643847.db2.gz OWPPRCHOHZUXOH-GFCCVEGCSA-N 1 2 259.309 1.934 20 30 CDEDLO C[C@@H](CC(=O)Nc1nc(C#N)c(C#N)[nH]1)C1CC[NH2+]CC1 ZINC000592259138 342683371 /nfs/dbraw/zinc/68/33/71/342683371.db2.gz FCCVOIGRNYTTPI-VIFPVBQESA-N 1 2 286.339 1.117 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)CC1=CCCC1 ZINC000592071876 342663613 /nfs/dbraw/zinc/66/36/13/342663613.db2.gz TVGJACPPHSXDCL-UHFFFAOYSA-N 1 2 263.385 1.645 20 30 CDEDLO N#CCC[N@H+](CCN1CCOCC1)CC1=CCCC1 ZINC000592071876 342663614 /nfs/dbraw/zinc/66/36/14/342663614.db2.gz TVGJACPPHSXDCL-UHFFFAOYSA-N 1 2 263.385 1.645 20 30 CDEDLO N#CCC[N@@H+](CCN1CCOCC1)CC1=CCCC1 ZINC000592071876 342663615 /nfs/dbraw/zinc/66/36/15/342663615.db2.gz TVGJACPPHSXDCL-UHFFFAOYSA-N 1 2 263.385 1.645 20 30 CDEDLO C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148650 342668335 /nfs/dbraw/zinc/66/83/35/342668335.db2.gz YLHVNXAZXRZYOI-CXAGYDPISA-N 1 2 299.374 1.315 20 30 CDEDLO C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148650 342668336 /nfs/dbraw/zinc/66/83/36/342668336.db2.gz YLHVNXAZXRZYOI-CXAGYDPISA-N 1 2 299.374 1.315 20 30 CDEDLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150169 342668671 /nfs/dbraw/zinc/66/86/71/342668671.db2.gz BKTZYWWAYAGNOB-FZMZJTMJSA-N 1 2 268.357 1.457 20 30 CDEDLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150169 342668672 /nfs/dbraw/zinc/66/86/72/342668672.db2.gz BKTZYWWAYAGNOB-FZMZJTMJSA-N 1 2 268.357 1.457 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)N1CCc2[nH+]c[nH]c2C1 ZINC000625438733 342161916 /nfs/dbraw/zinc/16/19/16/342161916.db2.gz VKSRAJQOSPTVFF-LBPRGKRZSA-N 1 2 274.368 1.357 20 30 CDEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1cccc(C#N)n1 ZINC000602469581 342166234 /nfs/dbraw/zinc/16/62/34/342166234.db2.gz UUMDYIXYQASGGV-GHMZBOCLSA-N 1 2 281.381 1.207 20 30 CDEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602469581 342166235 /nfs/dbraw/zinc/16/62/35/342166235.db2.gz UUMDYIXYQASGGV-GHMZBOCLSA-N 1 2 281.381 1.207 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cn(-c2ccccc2)cn1 ZINC000593153515 342774083 /nfs/dbraw/zinc/77/40/83/342774083.db2.gz SKGHXQFTVLDYSA-MRXNPFEDSA-N 1 2 297.362 1.446 20 30 CDEDLO COCCN(CCC#N)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000593450879 342802052 /nfs/dbraw/zinc/80/20/52/342802052.db2.gz GLAYILGRIBWYPT-GFCCVEGCSA-N 1 2 264.329 1.223 20 30 CDEDLO CC[C@H](C#N)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000593550271 342811043 /nfs/dbraw/zinc/81/10/43/342811043.db2.gz SRJWLRFWMAGCHI-NEPJUHHUSA-N 1 2 258.325 1.326 20 30 CDEDLO CNS(=O)(=O)c1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000595344294 343043297 /nfs/dbraw/zinc/04/32/97/343043297.db2.gz LLQBOSBZPYAIDJ-NSHDSACASA-N 1 2 281.381 1.329 20 30 CDEDLO CNS(=O)(=O)c1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000595344294 343043298 /nfs/dbraw/zinc/04/32/98/343043298.db2.gz LLQBOSBZPYAIDJ-NSHDSACASA-N 1 2 281.381 1.329 20 30 CDEDLO Cc1nc(C(=O)N[C@H](C)Cn2cc[nH+]c2)ccc1C#N ZINC000075848745 342314960 /nfs/dbraw/zinc/31/49/60/342314960.db2.gz LDDIEKRUCVXOCU-SNVBAGLBSA-N 1 2 269.308 1.277 20 30 CDEDLO C[C@H](NS(=O)(=O)CC(C)(C)CC#N)c1[nH+]ccn1C ZINC000595383462 343052226 /nfs/dbraw/zinc/05/22/26/343052226.db2.gz OLGHXZWEDRPQEP-JTQLQIEISA-N 1 2 284.385 1.340 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N(C)Cc1c[nH+]c[nH]1 ZINC000595593569 343095822 /nfs/dbraw/zinc/09/58/22/343095822.db2.gz WPBTYNSPCOFULE-CQSZACIVSA-N 1 2 284.319 1.627 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N(C)Cc1c[nH]c[nH+]1 ZINC000595593569 343095823 /nfs/dbraw/zinc/09/58/23/343095823.db2.gz WPBTYNSPCOFULE-CQSZACIVSA-N 1 2 284.319 1.627 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)Cc1c[nH+]c[nH]1 ZINC000595597423 343114824 /nfs/dbraw/zinc/11/48/24/343114824.db2.gz PWELSKMDBDJZFR-FZMZJTMJSA-N 1 2 277.372 1.284 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CN(C)c2ccc(F)cc2)CC1 ZINC000081666632 342371727 /nfs/dbraw/zinc/37/17/27/342371727.db2.gz ILUJIBHEVHXTCN-UHFFFAOYSA-N 1 2 289.354 1.039 20 30 CDEDLO Cc1nc(NCCCC#N)c(Br)c(C)[nH+]1 ZINC000596191117 343253201 /nfs/dbraw/zinc/25/32/01/343253201.db2.gz IJTQNAKTZHBCQD-UHFFFAOYSA-N 1 2 269.146 1.994 20 30 CDEDLO CCc1nc(C#N)cc(N(C)[C@H](C)C[NH+]2CCOCC2)n1 ZINC000596214103 343268277 /nfs/dbraw/zinc/26/82/77/343268277.db2.gz DULFAHCQSSWRCZ-GFCCVEGCSA-N 1 2 289.383 1.068 20 30 CDEDLO Cc1nsc(NCC[N@H+]2C[C@H](C)OC[C@H]2C)c1C#N ZINC000596432729 343319864 /nfs/dbraw/zinc/31/98/64/343319864.db2.gz SGHZHADJXVZPDM-ZJUUUORDSA-N 1 2 280.397 1.844 20 30 CDEDLO Cc1nsc(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c1C#N ZINC000596432729 343319867 /nfs/dbraw/zinc/31/98/67/343319867.db2.gz SGHZHADJXVZPDM-ZJUUUORDSA-N 1 2 280.397 1.844 20 30 CDEDLO C[C@H](C[NH+]1CCN(C)CC1)Nc1cnccc1C#N ZINC000094156684 342430086 /nfs/dbraw/zinc/43/00/86/342430086.db2.gz JJAQGVKXTYAJNS-GFCCVEGCSA-N 1 2 259.357 1.001 20 30 CDEDLO COC(=O)c1ccc(C[NH2+]C[C@H](C)C#N)cc1F ZINC000597081676 343451543 /nfs/dbraw/zinc/45/15/43/343451543.db2.gz CSNWFLALJXZKIM-SECBINFHSA-N 1 2 250.273 1.862 20 30 CDEDLO CCc1[nH+]c(C)ccc1OCC(=O)NC1(C#N)CCC1 ZINC000331836619 529730573 /nfs/dbraw/zinc/73/05/73/529730573.db2.gz FSCSLVZHGCITTH-UHFFFAOYSA-N 1 2 273.336 1.894 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597995324 343684825 /nfs/dbraw/zinc/68/48/25/343684825.db2.gz MDQVEYSMHSZOGK-WDEREUQCSA-N 1 2 291.351 1.299 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597995324 343684827 /nfs/dbraw/zinc/68/48/27/343684827.db2.gz MDQVEYSMHSZOGK-WDEREUQCSA-N 1 2 291.351 1.299 20 30 CDEDLO C[N@H+](CCO)Cc1cn(-c2ccc(Cl)cc2C#N)nn1 ZINC000600975494 349897999 /nfs/dbraw/zinc/89/79/99/349897999.db2.gz DOXQOVUJRLDHPB-UHFFFAOYSA-N 1 2 291.742 1.216 20 30 CDEDLO C[N@@H+](CCO)Cc1cn(-c2ccc(Cl)cc2C#N)nn1 ZINC000600975494 349898002 /nfs/dbraw/zinc/89/80/02/349898002.db2.gz DOXQOVUJRLDHPB-UHFFFAOYSA-N 1 2 291.742 1.216 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC#CCN1C(=O)c2ccccc2C1=O ZINC000599438530 344048572 /nfs/dbraw/zinc/04/85/72/344048572.db2.gz XEYZHMPKXJLOBX-CYBMUJFWSA-N 1 2 295.342 1.568 20 30 CDEDLO CC(C)(C#N)CNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000602129041 344355785 /nfs/dbraw/zinc/35/57/85/344355785.db2.gz BHOSRMINWRADCR-UHFFFAOYSA-N 1 2 284.319 1.857 20 30 CDEDLO Cc1cn2ccc(C(=O)NCC(C)(C)C#N)cc2[nH+]1 ZINC000602130209 344356284 /nfs/dbraw/zinc/35/62/84/344356284.db2.gz KSSKPKOEKUKXCA-UHFFFAOYSA-N 1 2 256.309 1.922 20 30 CDEDLO CC1(C)C[C@]1(C#N)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000602153208 344361484 /nfs/dbraw/zinc/36/14/84/344361484.db2.gz LPAQVQVAAGRIKP-MRXNPFEDSA-N 1 2 296.330 2.000 20 30 CDEDLO C[C@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccco1 ZINC000602332027 344402219 /nfs/dbraw/zinc/40/22/19/344402219.db2.gz JDBISIWMLHMBJG-BXUZGUMPSA-N 1 2 263.341 1.733 20 30 CDEDLO Cn1cccc1C(=O)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602765424 344572868 /nfs/dbraw/zinc/57/28/68/344572868.db2.gz LGCSEPJWLYWTAH-UHFFFAOYSA-N 1 2 286.379 1.477 20 30 CDEDLO CN1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2C#N)C1=O ZINC000274785789 529985475 /nfs/dbraw/zinc/98/54/75/529985475.db2.gz MCFYCAPSGPHSSE-CYBMUJFWSA-N 1 2 277.755 1.874 20 30 CDEDLO CN1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2C#N)C1=O ZINC000274785789 529985476 /nfs/dbraw/zinc/98/54/76/529985476.db2.gz MCFYCAPSGPHSSE-CYBMUJFWSA-N 1 2 277.755 1.874 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@H+](CC1(CC#N)CC1)C1CC1 ZINC000602782835 344597737 /nfs/dbraw/zinc/59/77/37/344597737.db2.gz AOEHNSBSEXDZSU-NSHDSACASA-N 1 2 270.398 1.578 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](CC1(CC#N)CC1)C1CC1 ZINC000602782835 344597741 /nfs/dbraw/zinc/59/77/41/344597741.db2.gz AOEHNSBSEXDZSU-NSHDSACASA-N 1 2 270.398 1.578 20 30 CDEDLO CCOCCN1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602774087 344577471 /nfs/dbraw/zinc/57/74/71/344577471.db2.gz BEGFXGWPAYUEPC-UHFFFAOYSA-N 1 2 251.374 1.334 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000602861306 344616533 /nfs/dbraw/zinc/61/65/33/344616533.db2.gz GBRZIUUDRXQLPO-FDYHWXHSSA-N 1 2 251.374 1.819 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000602869781 344640828 /nfs/dbraw/zinc/64/08/28/344640828.db2.gz OSMRDYAMOVYOIF-RKDXNWHRSA-N 1 2 266.732 1.954 20 30 CDEDLO CCN(CC)C(=O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609538910 345595383 /nfs/dbraw/zinc/59/53/83/345595383.db2.gz OXMIQMIQQWTGLI-AWEZNQCLSA-N 1 2 280.416 1.021 20 30 CDEDLO CC(C)[C@H](C#N)N1CC[NH+](CCn2ccccc2=O)CC1 ZINC000609539228 345596000 /nfs/dbraw/zinc/59/60/00/345596000.db2.gz WBQQGLQPNXGGFC-HNNXBMFYSA-N 1 2 288.395 1.014 20 30 CDEDLO C=CCN(C(=O)c1ccc2[nH+]ccn2c1)[C@H](C)COC ZINC000617578396 345864839 /nfs/dbraw/zinc/86/48/39/345864839.db2.gz IYLRYFVESBIMAR-GFCCVEGCSA-N 1 2 273.336 1.997 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623304064 346022334 /nfs/dbraw/zinc/02/23/34/346022334.db2.gz PWDZAXXIGSYNCW-NWDGAFQWSA-N 1 2 263.341 1.295 20 30 CDEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000610491354 346293872 /nfs/dbraw/zinc/29/38/72/346293872.db2.gz WIXQLHMHUOHIRA-OAHLLOKOSA-N 1 2 295.346 1.567 20 30 CDEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000610491354 346293876 /nfs/dbraw/zinc/29/38/76/346293876.db2.gz WIXQLHMHUOHIRA-OAHLLOKOSA-N 1 2 295.346 1.567 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CC12CCC2 ZINC000610737917 346389466 /nfs/dbraw/zinc/38/94/66/346389466.db2.gz GFEUETXGRXCLSE-CQSZACIVSA-N 1 2 291.395 1.251 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000584778832 346430989 /nfs/dbraw/zinc/43/09/89/346430989.db2.gz ZBBNJVDHMUNYIS-OLZOCXBDSA-N 1 2 291.395 1.581 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000584778832 346430991 /nfs/dbraw/zinc/43/09/91/346430991.db2.gz ZBBNJVDHMUNYIS-OLZOCXBDSA-N 1 2 291.395 1.581 20 30 CDEDLO C=CCCn1cc(CNc2cc(CO)cc[nH+]2)nn1 ZINC000641762417 365823572 /nfs/dbraw/zinc/82/35/72/365823572.db2.gz MXYOOYGYHHYPNS-UHFFFAOYSA-N 1 2 259.313 1.354 20 30 CDEDLO C[NH+]1CCC(C#N)(NC(=O)c2c(O)cccc2F)CC1 ZINC000228904887 346545122 /nfs/dbraw/zinc/54/51/22/346545122.db2.gz RNJWATMRNYLESA-UHFFFAOYSA-N 1 2 277.299 1.249 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000611173662 346627120 /nfs/dbraw/zinc/62/71/20/346627120.db2.gz FYCGEBJXSRSWPN-UHFFFAOYSA-N 1 2 272.327 1.729 20 30 CDEDLO Cc1cccc(N2CC[NH+](CC(=O)NCC#N)CC2)c1C ZINC000066472188 347488660 /nfs/dbraw/zinc/48/86/60/347488660.db2.gz FNVABJKSNITPKA-UHFFFAOYSA-N 1 2 286.379 1.065 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000619718336 348187963 /nfs/dbraw/zinc/18/79/63/348187963.db2.gz JRSVTMXRXCRJHD-WCQYABFASA-N 1 2 263.341 1.012 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000619718336 348187967 /nfs/dbraw/zinc/18/79/67/348187967.db2.gz JRSVTMXRXCRJHD-WCQYABFASA-N 1 2 263.341 1.012 20 30 CDEDLO Cc1ccc(F)c(OC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000414119274 362926614 /nfs/dbraw/zinc/92/66/14/362926614.db2.gz CSKVEDJJOLVGTK-GFCCVEGCSA-N 1 2 266.316 1.719 20 30 CDEDLO Cc1ccc(F)c(OC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414119274 362926621 /nfs/dbraw/zinc/92/66/21/362926621.db2.gz CSKVEDJJOLVGTK-GFCCVEGCSA-N 1 2 266.316 1.719 20 30 CDEDLO C#CCN(CC)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000056597894 348820526 /nfs/dbraw/zinc/82/05/26/348820526.db2.gz KISWLWZQBHTBKQ-UHFFFAOYSA-N 1 2 286.379 1.847 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NCc1cccs1 ZINC000066469700 348986388 /nfs/dbraw/zinc/98/63/88/348986388.db2.gz QCNKXXHZMACKHN-QWRGUYRKSA-N 1 2 265.382 1.844 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NCc1cccs1 ZINC000066469700 348986390 /nfs/dbraw/zinc/98/63/90/348986390.db2.gz QCNKXXHZMACKHN-QWRGUYRKSA-N 1 2 265.382 1.844 20 30 CDEDLO C#CC[N@H+](CC(=O)N1CCC1)Cc1ccc(F)cc1 ZINC000065958210 348970024 /nfs/dbraw/zinc/97/00/24/348970024.db2.gz VVJXKTCOKRSEKB-UHFFFAOYSA-N 1 2 260.312 1.493 20 30 CDEDLO C#CC[N@@H+](CC(=O)N1CCC1)Cc1ccc(F)cc1 ZINC000065958210 348970025 /nfs/dbraw/zinc/97/00/25/348970025.db2.gz VVJXKTCOKRSEKB-UHFFFAOYSA-N 1 2 260.312 1.493 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNc2nc3c(cc2C#N)CCCC3)C1 ZINC000091670734 180224769 /nfs/dbraw/zinc/22/47/69/180224769.db2.gz LGMNEWJNYAYOLU-CQSZACIVSA-N 1 2 286.379 1.575 20 30 CDEDLO C[N@H+]1CCO[C@H](CNc2nc3c(cc2C#N)CCCC3)C1 ZINC000091670734 180224771 /nfs/dbraw/zinc/22/47/71/180224771.db2.gz LGMNEWJNYAYOLU-CQSZACIVSA-N 1 2 286.379 1.575 20 30 CDEDLO C=CC[N@H+](CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 ZINC000092361569 180367904 /nfs/dbraw/zinc/36/79/04/180367904.db2.gz CTIICSGHGKVNNG-ZDUSSCGKSA-N 1 2 271.382 1.008 20 30 CDEDLO C=CC[N@@H+](CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 ZINC000092361569 180367906 /nfs/dbraw/zinc/36/79/06/180367906.db2.gz CTIICSGHGKVNNG-ZDUSSCGKSA-N 1 2 271.382 1.008 20 30 CDEDLO COC(=O)C1(O)CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000271401717 191117065 /nfs/dbraw/zinc/11/70/65/191117065.db2.gz MTOJKKMTIKNHFO-UHFFFAOYSA-N 1 2 292.310 1.197 20 30 CDEDLO N#Cc1cc([N+](=O)[O-])cnc1N1CCC(n2cc[nH+]c2)CC1 ZINC000264455503 363069433 /nfs/dbraw/zinc/06/94/33/363069433.db2.gz JBSBMRPCPROAOM-UHFFFAOYSA-N 1 2 298.306 1.899 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N(C)Cc1cc(C#N)ccc1F ZINC000271661391 191264561 /nfs/dbraw/zinc/26/45/61/191264561.db2.gz XXYKXRIJWGOLEI-CYBMUJFWSA-N 1 2 291.370 1.850 20 30 CDEDLO CC#CC[NH+]1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000157532784 188323030 /nfs/dbraw/zinc/32/30/30/188323030.db2.gz WKTSKPJTRGWVDQ-UHFFFAOYSA-N 1 2 295.390 1.353 20 30 CDEDLO Cc1cccc(NC[C@H](O)C[N@H+](C)CCC#N)c1C ZINC000570082018 363343983 /nfs/dbraw/zinc/34/39/83/363343983.db2.gz DGSNVSUZNSEEBF-AWEZNQCLSA-N 1 2 261.369 1.922 20 30 CDEDLO Cc1cccc(NC[C@H](O)C[N@@H+](C)CCC#N)c1C ZINC000570082018 363343987 /nfs/dbraw/zinc/34/39/87/363343987.db2.gz DGSNVSUZNSEEBF-AWEZNQCLSA-N 1 2 261.369 1.922 20 30 CDEDLO N#Cc1c(Cl)nsc1N1CCn2c[nH+]cc2C1 ZINC000290709828 283074073 /nfs/dbraw/zinc/07/40/73/283074073.db2.gz OFPPFOALYUFZSA-UHFFFAOYSA-N 1 2 265.729 1.885 20 30 CDEDLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000559289956 356526788 /nfs/dbraw/zinc/52/67/88/356526788.db2.gz GNRKWZDQCUPZPV-DYZYQPBXSA-N 1 2 251.355 1.152 20 30 CDEDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000559289956 356526791 /nfs/dbraw/zinc/52/67/91/356526791.db2.gz GNRKWZDQCUPZPV-DYZYQPBXSA-N 1 2 251.355 1.152 20 30 CDEDLO N#CCCN(Cc1ccco1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493333652 366286735 /nfs/dbraw/zinc/28/67/35/366286735.db2.gz KSAQILSDZRJUFC-PLNGDYQASA-N 1 2 270.292 1.958 20 30 CDEDLO Cc1cccn2cc(CNC(=O)c3cc(C#N)c[nH]3)[nH+]c12 ZINC000175603002 356648131 /nfs/dbraw/zinc/64/81/31/356648131.db2.gz CEBBQNBNFJUARR-UHFFFAOYSA-N 1 2 279.303 1.773 20 30 CDEDLO N#Cc1ccnc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000332477366 283219827 /nfs/dbraw/zinc/21/98/27/283219827.db2.gz XEOSMAAMNOBQOS-UHFFFAOYSA-N 1 2 281.319 1.696 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000048343969 356793510 /nfs/dbraw/zinc/79/35/10/356793510.db2.gz RDJCUTFQVFTGOW-UHFFFAOYSA-N 1 2 274.364 1.455 20 30 CDEDLO C#CCN1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000048343969 356793513 /nfs/dbraw/zinc/79/35/13/356793513.db2.gz RDJCUTFQVFTGOW-UHFFFAOYSA-N 1 2 274.364 1.455 20 30 CDEDLO Cc1nn(C)c(N2CC[NH+](Cc3cccn3C)CC2)c1C#N ZINC000471820083 356863140 /nfs/dbraw/zinc/86/31/40/356863140.db2.gz FWTZIXUBHGLSDI-UHFFFAOYSA-N 1 2 298.394 1.261 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000299226685 356986051 /nfs/dbraw/zinc/98/60/51/356986051.db2.gz IZFDNQXJRYIREN-ZDUSSCGKSA-N 1 2 288.778 1.913 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNc1ccc(Cl)c(C#N)n1 ZINC000344414118 356999860 /nfs/dbraw/zinc/99/98/60/356999860.db2.gz ZUHQQCQRKRVORO-JTQLQIEISA-N 1 2 280.759 1.161 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNc1ccc(Cl)c(C#N)n1 ZINC000344414118 356999864 /nfs/dbraw/zinc/99/98/64/356999864.db2.gz ZUHQQCQRKRVORO-JTQLQIEISA-N 1 2 280.759 1.161 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000299270439 357008014 /nfs/dbraw/zinc/00/80/14/357008014.db2.gz MCVJWAPULZQASY-CYBMUJFWSA-N 1 2 270.332 1.591 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(C)cc2)CC1 ZINC000299319452 357018937 /nfs/dbraw/zinc/01/89/37/357018937.db2.gz GFNRDNVZPMPPNN-UHFFFAOYSA-N 1 2 299.374 1.101 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cnc(C)s2)CC1 ZINC000299470878 357078798 /nfs/dbraw/zinc/07/87/98/357078798.db2.gz AMAHFUJUJHLINC-UHFFFAOYSA-N 1 2 263.366 1.233 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@H+]1CCSC[C@@H]1CO ZINC000334406450 357579059 /nfs/dbraw/zinc/57/90/59/357579059.db2.gz HWTAMIUBSKTLPA-ZDUSSCGKSA-N 1 2 266.341 1.607 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCSC[C@@H]1CO ZINC000334406450 357579063 /nfs/dbraw/zinc/57/90/63/357579063.db2.gz HWTAMIUBSKTLPA-ZDUSSCGKSA-N 1 2 266.341 1.607 20 30 CDEDLO CC#CCNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000135983379 538894926 /nfs/dbraw/zinc/89/49/26/538894926.db2.gz DDWMIRLQSCDPHE-UHFFFAOYSA-N 1 2 277.393 1.599 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cnc(C3CC3)nc2)CC1 ZINC000294376524 199016618 /nfs/dbraw/zinc/01/66/18/199016618.db2.gz BPQRQRZVFOCQAE-UHFFFAOYSA-N 1 2 284.363 1.135 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2C[C@H](O)C[C@H](C)C2)c(C#N)c1C ZINC000401647006 358434243 /nfs/dbraw/zinc/43/42/43/358434243.db2.gz ILGYCGWGMIPXEX-JOYOIKCWSA-N 1 2 291.351 1.409 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@H](O)C[C@H](C)C2)c(C#N)c1C ZINC000401647006 358434248 /nfs/dbraw/zinc/43/42/48/358434248.db2.gz ILGYCGWGMIPXEX-JOYOIKCWSA-N 1 2 291.351 1.409 20 30 CDEDLO Cc1nc(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)ccc1C#N ZINC000341700081 358792697 /nfs/dbraw/zinc/79/26/97/358792697.db2.gz ZOUXIFRXRYGCGE-AWEZNQCLSA-N 1 2 295.346 1.876 20 30 CDEDLO CC(C)(C)OC(=O)NCC[N@H+](CCO)CC1(C#N)CC1 ZINC000495371737 366523434 /nfs/dbraw/zinc/52/34/34/366523434.db2.gz JJDSEMPEMKTVAE-UHFFFAOYSA-N 1 2 283.372 1.109 20 30 CDEDLO CC(C)(C)OC(=O)NCC[N@@H+](CCO)CC1(C#N)CC1 ZINC000495371737 366523443 /nfs/dbraw/zinc/52/34/43/366523443.db2.gz JJDSEMPEMKTVAE-UHFFFAOYSA-N 1 2 283.372 1.109 20 30 CDEDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000179338083 366528571 /nfs/dbraw/zinc/52/85/71/366528571.db2.gz IBXPKEDSRSQGFK-GFCCVEGCSA-N 1 2 263.366 1.720 20 30 CDEDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000179338083 366528574 /nfs/dbraw/zinc/52/85/74/366528574.db2.gz IBXPKEDSRSQGFK-GFCCVEGCSA-N 1 2 263.366 1.720 20 30 CDEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(O)CC2)cc1Cl ZINC000047865832 359188129 /nfs/dbraw/zinc/18/81/29/359188129.db2.gz DRWRNCBYCVRVGR-UHFFFAOYSA-N 1 2 293.754 1.607 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000277630730 359566819 /nfs/dbraw/zinc/56/68/19/359566819.db2.gz XUFBCUPMIOBJAX-VBKZILBWSA-N 1 2 291.416 1.899 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000277630730 359566824 /nfs/dbraw/zinc/56/68/24/359566824.db2.gz XUFBCUPMIOBJAX-VBKZILBWSA-N 1 2 291.416 1.899 20 30 CDEDLO N#Cc1cc(C(=O)NCc2[nH]cc[nH+]2)cnc1C(F)(F)F ZINC000340191495 359590780 /nfs/dbraw/zinc/59/07/80/359590780.db2.gz HCGXSTOWIFQVPC-UHFFFAOYSA-N 1 2 295.224 1.625 20 30 CDEDLO CC#CC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000277610242 359567803 /nfs/dbraw/zinc/56/78/03/359567803.db2.gz HTQIFHNJAFVENF-ZDUSSCGKSA-N 1 2 257.337 1.310 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000277630729 359567970 /nfs/dbraw/zinc/56/79/70/359567970.db2.gz XUFBCUPMIOBJAX-JLTOFOAXSA-N 1 2 291.416 1.899 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000277630729 359567975 /nfs/dbraw/zinc/56/79/75/359567975.db2.gz XUFBCUPMIOBJAX-JLTOFOAXSA-N 1 2 291.416 1.899 20 30 CDEDLO CCC[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000034651135 359774585 /nfs/dbraw/zinc/77/45/85/359774585.db2.gz IBXRAYQNFHHUFD-UHFFFAOYSA-N 1 2 293.392 1.275 20 30 CDEDLO CCOC(=O)CN(C)C(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000348114012 359840229 /nfs/dbraw/zinc/84/02/29/359840229.db2.gz FLOPIQIQBGUIQR-UHFFFAOYSA-N 1 2 297.399 1.270 20 30 CDEDLO CCOC(=O)CN(C)C(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000348114012 359840233 /nfs/dbraw/zinc/84/02/33/359840233.db2.gz FLOPIQIQBGUIQR-UHFFFAOYSA-N 1 2 297.399 1.270 20 30 CDEDLO C[C@H](C#N)CN(CC[N@@H+]1CCOC[C@H]1C)C1CC1 ZINC000337172293 360008036 /nfs/dbraw/zinc/00/80/36/360008036.db2.gz FHVUKJOMQRHZBB-CHWSQXEVSA-N 1 2 251.374 1.331 20 30 CDEDLO C[C@H](C#N)CN(CC[N@H+]1CCOC[C@H]1C)C1CC1 ZINC000337172293 360008040 /nfs/dbraw/zinc/00/80/40/360008040.db2.gz FHVUKJOMQRHZBB-CHWSQXEVSA-N 1 2 251.374 1.331 20 30 CDEDLO C[C@H](C#N)C[N@H+](CCN1CCOC[C@H]1C)C1CC1 ZINC000337172293 360008044 /nfs/dbraw/zinc/00/80/44/360008044.db2.gz FHVUKJOMQRHZBB-CHWSQXEVSA-N 1 2 251.374 1.331 20 30 CDEDLO C[C@H](C#N)C[N@@H+](CCN1CCOC[C@H]1C)C1CC1 ZINC000337172293 360008048 /nfs/dbraw/zinc/00/80/48/360008048.db2.gz FHVUKJOMQRHZBB-CHWSQXEVSA-N 1 2 251.374 1.331 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1cccnc1 ZINC000348362929 360027559 /nfs/dbraw/zinc/02/75/59/360027559.db2.gz CZZUZMMRLGIVJL-BBRMVZONSA-N 1 2 288.395 1.956 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC000348362929 360027564 /nfs/dbraw/zinc/02/75/64/360027564.db2.gz CZZUZMMRLGIVJL-BBRMVZONSA-N 1 2 288.395 1.956 20 30 CDEDLO CC[C@H](C)[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC(=O)OC ZINC000337239085 360041032 /nfs/dbraw/zinc/04/10/32/360041032.db2.gz MRAOAKQNSYZSRW-XHDPSFHLSA-N 1 2 295.383 1.068 20 30 CDEDLO CC[C@H](C)[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC(=O)OC ZINC000337239085 360041034 /nfs/dbraw/zinc/04/10/34/360041034.db2.gz MRAOAKQNSYZSRW-XHDPSFHLSA-N 1 2 295.383 1.068 20 30 CDEDLO CC(C)COCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000337211591 360041547 /nfs/dbraw/zinc/04/15/47/360041547.db2.gz DVIRTDMQUDLAAP-UHFFFAOYSA-N 1 2 283.416 1.207 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000112559785 360540646 /nfs/dbraw/zinc/54/06/46/360540646.db2.gz AAAVLSJTHZPFQV-LBPRGKRZSA-N 1 2 288.317 2.000 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000112559785 360540649 /nfs/dbraw/zinc/54/06/49/360540649.db2.gz AAAVLSJTHZPFQV-LBPRGKRZSA-N 1 2 288.317 2.000 20 30 CDEDLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000127810095 360677951 /nfs/dbraw/zinc/67/79/51/360677951.db2.gz OLQURYIJRZLZKS-AWEZNQCLSA-N 1 2 299.378 1.730 20 30 CDEDLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000127810095 360677958 /nfs/dbraw/zinc/67/79/58/360677958.db2.gz OLQURYIJRZLZKS-AWEZNQCLSA-N 1 2 299.378 1.730 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000245910250 360763151 /nfs/dbraw/zinc/76/31/51/360763151.db2.gz VMKAVIULRLAMNW-GHMZBOCLSA-N 1 2 282.388 1.481 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000245910250 360763156 /nfs/dbraw/zinc/76/31/56/360763156.db2.gz VMKAVIULRLAMNW-GHMZBOCLSA-N 1 2 282.388 1.481 20 30 CDEDLO COC(=O)C[C@H]1CSCC[N@@H+]1C[C@H](C#N)CCC#N ZINC000157940284 361057391 /nfs/dbraw/zinc/05/73/91/361057391.db2.gz UPKFXPBXOWAKKG-RYUDHWBXSA-N 1 2 281.381 1.410 20 30 CDEDLO COC(=O)C[C@H]1CSCC[N@H+]1C[C@H](C#N)CCC#N ZINC000157940284 361057394 /nfs/dbraw/zinc/05/73/94/361057394.db2.gz UPKFXPBXOWAKKG-RYUDHWBXSA-N 1 2 281.381 1.410 20 30 CDEDLO CC(C)(C)c1cnc(CO[NH+]=C(N)CN2CCOCC2)o1 ZINC000131555036 361106629 /nfs/dbraw/zinc/10/66/29/361106629.db2.gz ZMYWKCHPDDAZAL-UHFFFAOYSA-N 1 2 296.371 1.093 20 30 CDEDLO COc1ccccc1CNC(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433303619 361229533 /nfs/dbraw/zinc/22/95/33/361229533.db2.gz IRWINHOJBBYMOR-UHFFFAOYSA-N 1 2 289.379 1.793 20 30 CDEDLO COc1ccccc1CNC(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433303619 361229539 /nfs/dbraw/zinc/22/95/39/361229539.db2.gz IRWINHOJBBYMOR-UHFFFAOYSA-N 1 2 289.379 1.793 20 30 CDEDLO COC(=O)[C@@H](CC(C)C)NC(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433306184 361231555 /nfs/dbraw/zinc/23/15/55/361231555.db2.gz QBENYUVAACKQQH-GFCCVEGCSA-N 1 2 297.399 1.172 20 30 CDEDLO COC(=O)[C@@H](CC(C)C)NC(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433306184 361231560 /nfs/dbraw/zinc/23/15/60/361231560.db2.gz QBENYUVAACKQQH-GFCCVEGCSA-N 1 2 297.399 1.172 20 30 CDEDLO CCc1nc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)cs1 ZINC000562323106 361279873 /nfs/dbraw/zinc/27/98/73/361279873.db2.gz PIAIIBIWHVDYBM-ZDUSSCGKSA-N 1 2 280.397 1.208 20 30 CDEDLO N#Cc1cc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)c[nH]1 ZINC000181195077 189290731 /nfs/dbraw/zinc/29/07/31/189290731.db2.gz ZRPUWTZXJNOMBM-UHFFFAOYSA-N 1 2 295.346 1.812 20 30 CDEDLO C[C@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CCS1(=O)=O ZINC000329130787 291264640 /nfs/dbraw/zinc/26/46/40/291264640.db2.gz XGMPHQMQYZIDLQ-DLOVCJGASA-N 1 2 286.397 1.145 20 30 CDEDLO C[C@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CC2)CCS1(=O)=O ZINC000329130787 291264642 /nfs/dbraw/zinc/26/46/42/291264642.db2.gz XGMPHQMQYZIDLQ-DLOVCJGASA-N 1 2 286.397 1.145 20 30 CDEDLO N#CC1(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CC1 ZINC000436265710 361490256 /nfs/dbraw/zinc/49/02/56/361490256.db2.gz MOAFGMGASYEHPU-SJORKVTESA-N 1 2 297.402 1.875 20 30 CDEDLO N#CC1(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CC1 ZINC000436265710 361490261 /nfs/dbraw/zinc/49/02/61/361490261.db2.gz MOAFGMGASYEHPU-SJORKVTESA-N 1 2 297.402 1.875 20 30 CDEDLO 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378176359 /nfs/dbraw/zinc/17/63/59/378176359.db2.gz PZKUVXJSUIBTBJ-UHFFFAOYSA-N 1 2 296.317 1.512 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000192223191 378177480 /nfs/dbraw/zinc/17/74/80/378177480.db2.gz HCBKDHVBQRHXHD-JTQLQIEISA-N 1 2 291.307 1.495 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000192223191 378177486 /nfs/dbraw/zinc/17/74/86/378177486.db2.gz HCBKDHVBQRHXHD-JTQLQIEISA-N 1 2 291.307 1.495 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCCOc1ccc(OCC)cc1 ZINC000192229626 378177955 /nfs/dbraw/zinc/17/79/55/378177955.db2.gz DFCAYXWFDLAGDO-UHFFFAOYSA-N 1 2 290.363 1.145 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCCOc1ccc(OCC)cc1 ZINC000192229626 378177958 /nfs/dbraw/zinc/17/79/58/378177958.db2.gz DFCAYXWFDLAGDO-UHFFFAOYSA-N 1 2 290.363 1.145 20 30 CDEDLO C#CCN(C)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000291034298 378426986 /nfs/dbraw/zinc/42/69/86/378426986.db2.gz OXWHAORXCXMCGG-UHFFFAOYSA-N 1 2 256.309 1.417 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000292107784 378489933 /nfs/dbraw/zinc/48/99/33/378489933.db2.gz GQYHRTOOTOFMNW-ZDUSSCGKSA-N 1 2 291.370 1.638 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000292107784 378489941 /nfs/dbraw/zinc/48/99/41/378489941.db2.gz GQYHRTOOTOFMNW-ZDUSSCGKSA-N 1 2 291.370 1.638 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293161346 378543815 /nfs/dbraw/zinc/54/38/15/378543815.db2.gz OTYORMSDEHDCHW-UHFFFAOYSA-N 1 2 287.319 1.376 20 30 CDEDLO C=CCCCS(=O)(=O)NCCCn1cc[nH+]c1 ZINC000293068123 378534960 /nfs/dbraw/zinc/53/49/60/378534960.db2.gz RRYUGYDAARAFCW-UHFFFAOYSA-N 1 2 257.359 1.159 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000186065912 378852046 /nfs/dbraw/zinc/85/20/46/378852046.db2.gz UZSKYGAUFGYNRY-SECBINFHSA-N 1 2 292.301 1.521 20 30 CDEDLO C=CCn1cccc1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000334542362 378960637 /nfs/dbraw/zinc/96/06/37/378960637.db2.gz GVSYRZOGRNLHRY-GJZGRUSLSA-N 1 2 289.379 1.219 20 30 CDEDLO C=CCn1cccc1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000334542362 378960640 /nfs/dbraw/zinc/96/06/40/378960640.db2.gz GVSYRZOGRNLHRY-GJZGRUSLSA-N 1 2 289.379 1.219 20 30 CDEDLO Cn1cc(N2CC[NH+](Cc3ccccc3C#N)CC2)cn1 ZINC000174920160 379611621 /nfs/dbraw/zinc/61/16/21/379611621.db2.gz GNTXFBPTBWEGQR-UHFFFAOYSA-N 1 2 281.363 1.614 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000279334579 194388504 /nfs/dbraw/zinc/38/85/04/194388504.db2.gz HOZUDUBDCSTBLA-IUODEOHRSA-N 1 2 275.352 1.104 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)/C=C\c1cccc(C#N)c1 ZINC000491449624 253082652 /nfs/dbraw/zinc/08/26/52/253082652.db2.gz QCNZZODZBDMIMQ-WAYWQWQTSA-N 1 2 266.304 1.621 20 30 CDEDLO C[C@@H](C(=O)NCc1ccn2cc[nH+]c2c1)N1CCOCC1 ZINC000330006421 533096799 /nfs/dbraw/zinc/09/67/99/533096799.db2.gz CVHXXLDIWROQGU-LBPRGKRZSA-N 1 2 288.351 1.512 20 30 CDEDLO N#CC1(CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000574826240 335051046 /nfs/dbraw/zinc/05/10/46/335051046.db2.gz NZHGRHUGRILIEF-NSHDSACASA-N 1 2 273.340 1.950 20 30 CDEDLO C#C[C@@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)C(C)(C)C ZINC000288449389 197081034 /nfs/dbraw/zinc/08/10/34/197081034.db2.gz FOTRTSCKDPEJMZ-NWDGAFQWSA-N 1 2 262.357 1.619 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC(C)=C(Br)C1 ZINC000281263148 195172829 /nfs/dbraw/zinc/17/28/29/195172829.db2.gz VLLNMGLYLUHNLW-SNVBAGLBSA-N 1 2 285.185 1.499 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC(C)=C(Br)C1 ZINC000281263148 195172832 /nfs/dbraw/zinc/17/28/32/195172832.db2.gz VLLNMGLYLUHNLW-SNVBAGLBSA-N 1 2 285.185 1.499 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]([C@H](C)C(=O)OC)C2CCC2)C1=O ZINC000281304037 195189791 /nfs/dbraw/zinc/18/97/91/195189791.db2.gz KEFMAOFYUKLUMG-DGCLKSJQSA-N 1 2 280.368 1.189 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]([C@H](C)C(=O)OC)C2CCC2)C1=O ZINC000281304037 195189792 /nfs/dbraw/zinc/18/97/92/195189792.db2.gz KEFMAOFYUKLUMG-DGCLKSJQSA-N 1 2 280.368 1.189 20 30 CDEDLO C=C[C@@H](O)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000646900454 390219093 /nfs/dbraw/zinc/21/90/93/390219093.db2.gz VOOZQTBUZJUMLA-OAHLLOKOSA-N 1 2 299.374 1.679 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000331463537 262428060 /nfs/dbraw/zinc/42/80/60/262428060.db2.gz LBHUPGMAZFDISR-MBNYWOFBSA-N 1 2 279.384 1.246 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000331463537 262428062 /nfs/dbraw/zinc/42/80/62/262428062.db2.gz LBHUPGMAZFDISR-MBNYWOFBSA-N 1 2 279.384 1.246 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC2(CCC2)C1 ZINC000154104797 390911496 /nfs/dbraw/zinc/91/14/96/390911496.db2.gz QPLWEHCUUHTVPV-UHFFFAOYSA-N 1 2 266.385 1.666 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOC2(CCC2)C1 ZINC000154104797 390911498 /nfs/dbraw/zinc/91/14/98/390911498.db2.gz QPLWEHCUUHTVPV-UHFFFAOYSA-N 1 2 266.385 1.666 20 30 CDEDLO CC(C)(C#N)CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000350118028 390911936 /nfs/dbraw/zinc/91/19/36/390911936.db2.gz OTHRZDFRBPMAKE-UHFFFAOYSA-N 1 2 285.351 1.726 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1ccccc1N1CCCC1=O ZINC000293024221 391021252 /nfs/dbraw/zinc/02/12/52/391021252.db2.gz FRAQSPMPJDFXRY-UHFFFAOYSA-N 1 2 299.374 1.707 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccccc1N1CCCC1=O ZINC000293024221 391021260 /nfs/dbraw/zinc/02/12/60/391021260.db2.gz FRAQSPMPJDFXRY-UHFFFAOYSA-N 1 2 299.374 1.707 20 30 CDEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000293050789 391022345 /nfs/dbraw/zinc/02/23/45/391022345.db2.gz HUGVSVXGSCOJST-LLVKDONJSA-N 1 2 273.336 1.068 20 30 CDEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000293050789 391022351 /nfs/dbraw/zinc/02/23/51/391022351.db2.gz HUGVSVXGSCOJST-LLVKDONJSA-N 1 2 273.336 1.068 20 30 CDEDLO Cn1c2ccccc2[nH+]c1N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000329598609 391023823 /nfs/dbraw/zinc/02/38/23/391023823.db2.gz WMTUSJUMVSNVOY-LBPRGKRZSA-N 1 2 299.378 1.818 20 30 CDEDLO CO[C@]1(CNC(=O)[C@H](C)[NH+]2CCSCC2)CCOC1 ZINC000329541431 391009087 /nfs/dbraw/zinc/00/90/87/391009087.db2.gz DKUNMIUYYAWIEE-AAEUAGOBSA-N 1 2 288.413 1.186 20 30 CDEDLO CC1(C)SC[C@@H]1[NH+]=C([O-])N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329619244 391033887 /nfs/dbraw/zinc/03/38/87/391033887.db2.gz QUKNCLJZMMXNLA-KWQFWETISA-N 1 2 280.397 1.665 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCOC[C@@H]1C#N ZINC000175886340 391142835 /nfs/dbraw/zinc/14/28/35/391142835.db2.gz DVBOFAYRQIJLCC-LBPRGKRZSA-N 1 2 284.319 1.096 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352484790 391155610 /nfs/dbraw/zinc/15/56/10/391155610.db2.gz UAETZWOMBZJLGI-LBPRGKRZSA-N 1 2 280.347 1.322 20 30 CDEDLO C=CCCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376199196 391217287 /nfs/dbraw/zinc/21/72/87/391217287.db2.gz RIGIBOFBWGDTGI-STQMWFEESA-N 1 2 252.358 1.274 20 30 CDEDLO C#CCCCCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000375905901 391205306 /nfs/dbraw/zinc/20/53/06/391205306.db2.gz ZETDDPRRHUPEKO-HUUCEWRRSA-N 1 2 278.396 1.502 20 30 CDEDLO CC#CCNC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000339350775 391287203 /nfs/dbraw/zinc/28/72/03/391287203.db2.gz YGJPZOVWLFAQAF-CHWSQXEVSA-N 1 2 252.358 1.015 20 30 CDEDLO CC#CCNC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000339350775 391287206 /nfs/dbraw/zinc/28/72/06/391287206.db2.gz YGJPZOVWLFAQAF-CHWSQXEVSA-N 1 2 252.358 1.015 20 30 CDEDLO CN1C(=O)N[C@@H]2C[N@@H+](CC(=O)NC3CCCCC3)CC[C@@H]21 ZINC000328932996 391395816 /nfs/dbraw/zinc/39/58/16/391395816.db2.gz BRWDLMJEERZVNQ-OLZOCXBDSA-N 1 2 294.399 1.578 20 30 CDEDLO CN1C(=O)N[C@@H]2C[N@H+](CC(=O)NC3CCCCC3)CC[C@@H]21 ZINC000328932996 391395818 /nfs/dbraw/zinc/39/58/18/391395818.db2.gz BRWDLMJEERZVNQ-OLZOCXBDSA-N 1 2 294.399 1.578 20 30 CDEDLO CN1CCOC[C@@H]1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000328983803 391402195 /nfs/dbraw/zinc/40/21/95/391402195.db2.gz ZAMNWPJDUZGQBH-CQSZACIVSA-N 1 2 286.335 1.791 20 30 CDEDLO Cc1[nH]c(C(=O)N[C@@H](CC(N)=O)C2CCOCC2)c[nH+]1 ZINC000330455198 391424605 /nfs/dbraw/zinc/42/46/05/391424605.db2.gz MWLGZEADZCCIES-JTQLQIEISA-N 1 2 280.328 1.743 20 30 CDEDLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000330512066 391435786 /nfs/dbraw/zinc/43/57/86/391435786.db2.gz KFCMCNGBAGVAIP-LSDHHAIUSA-N 1 2 281.400 1.542 20 30 CDEDLO CC[C@@]1(C)COCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000330512066 391435790 /nfs/dbraw/zinc/43/57/90/391435790.db2.gz KFCMCNGBAGVAIP-LSDHHAIUSA-N 1 2 281.400 1.542 20 30 CDEDLO CCc1noc(C)c1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330526399 391442812 /nfs/dbraw/zinc/44/28/12/391442812.db2.gz PCUFWYWYVWDSFW-UHFFFAOYSA-N 1 2 295.383 1.961 20 30 CDEDLO CCc1noc(C)c1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330526399 391442814 /nfs/dbraw/zinc/44/28/14/391442814.db2.gz PCUFWYWYVWDSFW-UHFFFAOYSA-N 1 2 295.383 1.961 20 30 CDEDLO CCn1nc(C)c(C(=O)NCC[N@@H+]2CCOC[C@H]2C)c1C ZINC000330616939 391460228 /nfs/dbraw/zinc/46/02/28/391460228.db2.gz FJPFZIAXQSICNM-LLVKDONJSA-N 1 2 294.399 1.545 20 30 CDEDLO CCn1nc(C)c(C(=O)NCC[N@H+]2CCOC[C@H]2C)c1C ZINC000330616939 391460230 /nfs/dbraw/zinc/46/02/30/391460230.db2.gz FJPFZIAXQSICNM-LLVKDONJSA-N 1 2 294.399 1.545 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)NC[C@H](C)C#N)cc2n1C ZINC000335759560 391563152 /nfs/dbraw/zinc/56/31/52/391563152.db2.gz WRDSAWVHLKSXIN-SECBINFHSA-N 1 2 256.309 1.771 20 30 CDEDLO C=CC(C)(C)CNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000413320329 391751600 /nfs/dbraw/zinc/75/16/00/391751600.db2.gz VELHZJIFFJPYCX-SNVBAGLBSA-N 1 2 250.346 1.315 20 30 CDEDLO C=CC(C)(C)CNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000413320329 391751607 /nfs/dbraw/zinc/75/16/07/391751607.db2.gz VELHZJIFFJPYCX-SNVBAGLBSA-N 1 2 250.346 1.315 20 30 CDEDLO C[C@H](NC(=O)N[C@@H]1CCSC1)[C@H](C)[NH+]1CCOCC1 ZINC000329772478 391777386 /nfs/dbraw/zinc/77/73/86/391777386.db2.gz KPVKIKPPZORIBO-SDDRHHMPSA-N 1 2 287.429 1.105 20 30 CDEDLO CC(C)(CNC(=O)N[C@@H]1C=CCCC1)[NH+]1CCOCC1 ZINC000329792481 391779684 /nfs/dbraw/zinc/77/96/84/391779684.db2.gz AEYNIFNFISVFPC-CYBMUJFWSA-N 1 2 281.400 1.710 20 30 CDEDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2nc(C3CC3)cs2)C1 ZINC000329829513 391785595 /nfs/dbraw/zinc/78/55/95/391785595.db2.gz JTNSYZAZTMMEDL-SNVBAGLBSA-N 1 2 280.397 1.728 20 30 CDEDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2nc(C3CC3)cs2)C1 ZINC000329829513 391785597 /nfs/dbraw/zinc/78/55/97/391785597.db2.gz JTNSYZAZTMMEDL-SNVBAGLBSA-N 1 2 280.397 1.728 20 30 CDEDLO C[C@@]1(C(=O)NCC2([NH+]3CCOCC3)CC2)CCOC1 ZINC000329901323 391797059 /nfs/dbraw/zinc/79/70/59/391797059.db2.gz GVALKMHHGHSPLT-CYBMUJFWSA-N 1 2 268.357 1.234 20 30 CDEDLO Cc1cc(C)c(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(=O)[nH]1 ZINC000330318511 391827718 /nfs/dbraw/zinc/82/77/18/391827718.db2.gz QYBQQFHSJTWPEZ-LLVKDONJSA-N 1 2 286.335 1.920 20 30 CDEDLO C=CC[N@H+](CC1=CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000645827511 392178866 /nfs/dbraw/zinc/17/88/66/392178866.db2.gz IYGDJRPSPIMDFI-ZDUSSCGKSA-N 1 2 255.383 1.772 20 30 CDEDLO C=CC[N@@H+](CC1=CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000645827511 392178869 /nfs/dbraw/zinc/17/88/69/392178869.db2.gz IYGDJRPSPIMDFI-ZDUSSCGKSA-N 1 2 255.383 1.772 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCOC[C@H]1CC(=O)c1ccco1 ZINC000249387288 131121735 /nfs/dbraw/zinc/12/17/35/131121735.db2.gz QDVXHRHZTZPRMO-KGLIPLIRSA-N 1 2 293.363 1.880 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCOC[C@H]1CC(=O)c1ccco1 ZINC000249387288 131121737 /nfs/dbraw/zinc/12/17/37/131121737.db2.gz QDVXHRHZTZPRMO-KGLIPLIRSA-N 1 2 293.363 1.880 20 30 CDEDLO C=C[C@@H](O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000646746935 392729314 /nfs/dbraw/zinc/72/93/14/392729314.db2.gz GLXPVKONWNFRCD-CYBMUJFWSA-N 1 2 257.293 1.035 20 30 CDEDLO C=C[C@@H](O)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000646781762 392757384 /nfs/dbraw/zinc/75/73/84/392757384.db2.gz KPRSXUFPCCPNPN-GFCCVEGCSA-N 1 2 264.325 1.212 20 30 CDEDLO CCN1CC[N@H+](CCOc2ccc(C#N)cc2)[C@@H](C)C1=O ZINC000425911204 393031265 /nfs/dbraw/zinc/03/12/65/393031265.db2.gz AHSFMPXPXUIWHS-ZDUSSCGKSA-N 1 2 287.363 1.490 20 30 CDEDLO CCN1CC[N@@H+](CCOc2ccc(C#N)cc2)[C@@H](C)C1=O ZINC000425911204 393031272 /nfs/dbraw/zinc/03/12/72/393031272.db2.gz AHSFMPXPXUIWHS-ZDUSSCGKSA-N 1 2 287.363 1.490 20 30 CDEDLO Cc1cc(N2CCC[C@@H](CCC(N)=O)C2)c(C#N)c[nH+]1 ZINC000425222801 392995601 /nfs/dbraw/zinc/99/56/01/392995601.db2.gz JBMWXCKIGJMMAL-LBPRGKRZSA-N 1 2 272.352 1.744 20 30 CDEDLO CCO[C@@H]1C[C@H](Nc2cc(C)[nH+]cc2C#N)[C@@H]1OC ZINC000425237712 393000348 /nfs/dbraw/zinc/00/03/48/393000348.db2.gz HMRKPKJEYOZSKL-MJBXVCDLSA-N 1 2 261.325 1.288 20 30 CDEDLO COC[C@@]1(CO)CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425268820 393010309 /nfs/dbraw/zinc/01/03/09/393010309.db2.gz PWXCZGAQVSVSCI-AWEZNQCLSA-N 1 2 261.325 1.097 20 30 CDEDLO CCOC[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000528721977 393028995 /nfs/dbraw/zinc/02/89/95/393028995.db2.gz RXKZPJGTJOMVFE-INIZCTEOSA-N 1 2 290.363 1.674 20 30 CDEDLO CCOC[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000528721977 393029004 /nfs/dbraw/zinc/02/90/04/393029004.db2.gz RXKZPJGTJOMVFE-INIZCTEOSA-N 1 2 290.363 1.674 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccc(C#N)nc1)C1CC1 ZINC000529355641 393039443 /nfs/dbraw/zinc/03/94/43/393039443.db2.gz DWXPBZBIEUMZNQ-HNNXBMFYSA-N 1 2 295.346 1.497 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645939134 393408104 /nfs/dbraw/zinc/40/81/04/393408104.db2.gz LWYQOXARRSSBNU-ZDUSSCGKSA-N 1 2 299.365 1.212 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645939134 393408108 /nfs/dbraw/zinc/40/81/08/393408108.db2.gz LWYQOXARRSSBNU-ZDUSSCGKSA-N 1 2 299.365 1.212 20 30 CDEDLO CC1(C)C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H](CO)O1 ZINC000232789445 140224739 /nfs/dbraw/zinc/22/47/39/140224739.db2.gz FMJIKMVDPSJKNF-CYBMUJFWSA-N 1 2 278.327 1.669 20 30 CDEDLO CC1(C)C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H](CO)O1 ZINC000232789445 140224740 /nfs/dbraw/zinc/22/47/40/140224740.db2.gz FMJIKMVDPSJKNF-CYBMUJFWSA-N 1 2 278.327 1.669 20 30 CDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccco1 ZINC000091936611 397847358 /nfs/dbraw/zinc/84/73/58/397847358.db2.gz VJFKIZQMBDNYEK-LBPRGKRZSA-N 1 2 283.335 1.652 20 30 CDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccco1 ZINC000091936611 397847362 /nfs/dbraw/zinc/84/73/62/397847362.db2.gz VJFKIZQMBDNYEK-LBPRGKRZSA-N 1 2 283.335 1.652 20 30 CDEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NC1CC1 ZINC000649660751 397891373 /nfs/dbraw/zinc/89/13/73/397891373.db2.gz YWIMNXPPYCMSPE-MRXNPFEDSA-N 1 2 268.360 1.715 20 30 CDEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NC1CC1 ZINC000649660751 397891374 /nfs/dbraw/zinc/89/13/74/397891374.db2.gz YWIMNXPPYCMSPE-MRXNPFEDSA-N 1 2 268.360 1.715 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](CC)OC[C@@H]1C ZINC000649730083 397914250 /nfs/dbraw/zinc/91/42/50/397914250.db2.gz KTYYTEKHSAOSFS-UONOGXRCSA-N 1 2 268.401 1.910 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](CC)OC[C@@H]1C ZINC000649730083 397914252 /nfs/dbraw/zinc/91/42/52/397914252.db2.gz KTYYTEKHSAOSFS-UONOGXRCSA-N 1 2 268.401 1.910 20 30 CDEDLO C[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)C[C@H](CO)O1 ZINC000191718848 148534701 /nfs/dbraw/zinc/53/47/01/148534701.db2.gz RYDWBSKRFGRQNI-IUODEOHRSA-N 1 2 276.336 1.019 20 30 CDEDLO C[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)C[C@H](CO)O1 ZINC000191718848 148534705 /nfs/dbraw/zinc/53/47/05/148534705.db2.gz RYDWBSKRFGRQNI-IUODEOHRSA-N 1 2 276.336 1.019 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000305769294 149157325 /nfs/dbraw/zinc/15/73/25/149157325.db2.gz JBZZSEXLKKLJKN-GFCCVEGCSA-N 1 2 288.269 1.922 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000305769294 149157326 /nfs/dbraw/zinc/15/73/26/149157326.db2.gz JBZZSEXLKKLJKN-GFCCVEGCSA-N 1 2 288.269 1.922 20 30 CDEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccc(C#N)s1 ZINC000335134060 150324129 /nfs/dbraw/zinc/32/41/29/150324129.db2.gz FQBREFIBTYGJMG-NXEZZACHSA-N 1 2 263.366 1.784 20 30 CDEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccc(C#N)s1 ZINC000335134060 150324131 /nfs/dbraw/zinc/32/41/31/150324131.db2.gz FQBREFIBTYGJMG-NXEZZACHSA-N 1 2 263.366 1.784 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@@](F)(CO)C2)cc1F ZINC000335925421 151118381 /nfs/dbraw/zinc/11/83/81/151118381.db2.gz YHGGVILTFJSKAZ-ZDUSSCGKSA-N 1 2 252.264 1.604 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)cc1F ZINC000335925421 151118382 /nfs/dbraw/zinc/11/83/82/151118382.db2.gz YHGGVILTFJSKAZ-ZDUSSCGKSA-N 1 2 252.264 1.604 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352661396 155333017 /nfs/dbraw/zinc/33/30/17/155333017.db2.gz SPZRDBGPAXKNPO-ILXRZTDVSA-N 1 2 288.347 1.618 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352661396 155333019 /nfs/dbraw/zinc/33/30/19/155333019.db2.gz SPZRDBGPAXKNPO-ILXRZTDVSA-N 1 2 288.347 1.618 20 30 CDEDLO N#Cc1csc(C[NH2+][C@@H](C(N)=O)c2ccccc2)c1 ZINC000343155074 152051456 /nfs/dbraw/zinc/05/14/56/152051456.db2.gz SFXWQESWCDEIBE-CYBMUJFWSA-N 1 2 271.345 1.936 20 30 CDEDLO N#Cc1ccc(C(=O)NCCNc2cccc[nH+]2)[nH]1 ZINC000343182715 152060894 /nfs/dbraw/zinc/06/08/94/152060894.db2.gz IGBNNTCPAZREFG-UHFFFAOYSA-N 1 2 255.281 1.123 20 30 CDEDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccon1 ZINC000349233890 154071040 /nfs/dbraw/zinc/07/10/40/154071040.db2.gz AISRZVQUQFVGLC-SNVBAGLBSA-N 1 2 270.292 1.836 20 30 CDEDLO N#Cc1ccc(C[NH2+]Cc2nnnn2CC2CC2)cc1 ZINC000349658390 154170990 /nfs/dbraw/zinc/17/09/90/154170990.db2.gz ZPVRKBQFVNSGPM-UHFFFAOYSA-N 1 2 268.324 1.245 20 30 CDEDLO COCC(=O)N1CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000362964308 159279007 /nfs/dbraw/zinc/27/90/07/159279007.db2.gz SUSBQEUGLYFDHC-UHFFFAOYSA-N 1 2 287.363 1.157 20 30 CDEDLO C=CCCCNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000664785102 413653859 /nfs/dbraw/zinc/65/38/59/413653859.db2.gz OCQSWUASZPRKKT-UHFFFAOYSA-N 1 2 295.427 1.706 20 30 CDEDLO C=CC[N@H+](Cc1nc(C2CC2)no1)[C@@H](C)COC ZINC000661247080 413917438 /nfs/dbraw/zinc/91/74/38/413917438.db2.gz MDJNMHIESWNPLP-JTQLQIEISA-N 1 2 251.330 1.970 20 30 CDEDLO C=CC[N@@H+](Cc1nc(C2CC2)no1)[C@@H](C)COC ZINC000661247080 413917448 /nfs/dbraw/zinc/91/74/48/413917448.db2.gz MDJNMHIESWNPLP-JTQLQIEISA-N 1 2 251.330 1.970 20 30 CDEDLO C=CC[N@H+](Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@H]1OC ZINC000659821284 414149571 /nfs/dbraw/zinc/14/95/71/414149571.db2.gz AGOFHIVAIMOAMW-LSDHHAIUSA-N 1 2 295.404 1.487 20 30 CDEDLO C=CC[N@@H+](Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@H]1OC ZINC000659821284 414149581 /nfs/dbraw/zinc/14/95/81/414149581.db2.gz AGOFHIVAIMOAMW-LSDHHAIUSA-N 1 2 295.404 1.487 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2ccc(C)nc2)nn1 ZINC000657314671 414159954 /nfs/dbraw/zinc/15/99/54/414159954.db2.gz ZJXHQINDBCNOGN-UHFFFAOYSA-N 1 2 257.341 1.847 20 30 CDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000329062162 287279617 /nfs/dbraw/zinc/27/96/17/287279617.db2.gz JYNZUHYPAIKNED-FRRDWIJNSA-N 1 2 281.400 1.684 20 30 CDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000329062162 287279618 /nfs/dbraw/zinc/27/96/18/287279618.db2.gz JYNZUHYPAIKNED-FRRDWIJNSA-N 1 2 281.400 1.684 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccnn2CC2CC2)nn1 ZINC000657496488 414397051 /nfs/dbraw/zinc/39/70/51/414397051.db2.gz UADWYVZHAONQCU-UHFFFAOYSA-N 1 2 272.356 1.360 20 30 CDEDLO Cc1nnc(NCCCn2cc[nH+]c2)c(C#N)c1C ZINC000040217294 174205603 /nfs/dbraw/zinc/20/56/03/174205603.db2.gz ICOQNTMNIFAKKY-UHFFFAOYSA-N 1 2 256.313 1.664 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000044809614 175257429 /nfs/dbraw/zinc/25/74/29/175257429.db2.gz JZPMFYNCUCJOQS-OAHLLOKOSA-N 1 2 271.364 1.881 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc(F)c1-c1nn[nH]n1 ZINC001588931093 1173114959 /nfs/dbraw/zinc/11/49/59/1173114959.db2.gz RDOCVZRQRCBJNL-SECBINFHSA-N 1 2 274.303 1.597 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc(F)c1-c1nn[nH]n1 ZINC001588931093 1173114962 /nfs/dbraw/zinc/11/49/62/1173114962.db2.gz RDOCVZRQRCBJNL-SECBINFHSA-N 1 2 274.303 1.597 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000333675844 228209846 /nfs/dbraw/zinc/20/98/46/228209846.db2.gz DKRAMKQJPSEGJN-TUAOUCFPSA-N 1 2 273.340 1.189 20 30 CDEDLO C[C@H](C#N)OCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000497122628 260009052 /nfs/dbraw/zinc/00/90/52/260009052.db2.gz BLOHXCRSILBELX-CHWSQXEVSA-N 1 2 297.399 1.856 20 30 CDEDLO C[C@H](C#N)OCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000497122628 260009054 /nfs/dbraw/zinc/00/90/54/260009054.db2.gz BLOHXCRSILBELX-CHWSQXEVSA-N 1 2 297.399 1.856 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000090612163 260375264 /nfs/dbraw/zinc/37/52/64/260375264.db2.gz BYGJDVGVLZHMDI-LLVKDONJSA-N 1 2 276.767 1.836 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000090612163 260375265 /nfs/dbraw/zinc/37/52/65/260375265.db2.gz BYGJDVGVLZHMDI-LLVKDONJSA-N 1 2 276.767 1.836 20 30 CDEDLO C=CCOCCCC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000153173734 260689594 /nfs/dbraw/zinc/68/95/94/260689594.db2.gz CKJTWAWCVQXOFK-AWEZNQCLSA-N 1 2 289.379 1.759 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)C(=O)OC ZINC000361114328 261162703 /nfs/dbraw/zinc/16/27/03/261162703.db2.gz RPXZISHHFATDHH-AVGNSLFASA-N 1 2 271.357 1.135 20 30 CDEDLO CC[C@H](O[NH+]=C(N)Cc1ccc(Cl)cc1)C(N)=O ZINC000159424970 261186281 /nfs/dbraw/zinc/18/62/81/261186281.db2.gz INXQOMVFYZDHQQ-JTQLQIEISA-N 1 2 269.732 1.435 20 30 CDEDLO CCc1nnc(CO[NH+]=C(N)c2ccc(F)c(C)c2)o1 ZINC000160723515 261224113 /nfs/dbraw/zinc/22/41/13/261224113.db2.gz GELPSPKQGXMYOM-UHFFFAOYSA-N 1 2 278.287 1.917 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000490850265 261226510 /nfs/dbraw/zinc/22/65/10/261226510.db2.gz AWSXUHOPIKHHSE-UHFFFAOYSA-N 1 2 276.384 1.611 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000490850265 261226513 /nfs/dbraw/zinc/22/65/13/261226513.db2.gz AWSXUHOPIKHHSE-UHFFFAOYSA-N 1 2 276.384 1.611 20 30 CDEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](COC)c1ccc(C)o1 ZINC000184763376 262028795 /nfs/dbraw/zinc/02/87/95/262028795.db2.gz HDRQQDRRSPILFQ-ZDUSSCGKSA-N 1 2 293.367 1.627 20 30 CDEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@H](C#N)C(C)(C)C ZINC000493130767 262262917 /nfs/dbraw/zinc/26/29/17/262262917.db2.gz XBZQVHVPENIRFS-XUIVZRPNSA-N 1 2 260.341 1.971 20 30 CDEDLO C[C@@H]1C[C@H]1CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000354723236 262284193 /nfs/dbraw/zinc/28/41/93/262284193.db2.gz RHTVIZVGENXARU-KGLIPLIRSA-N 1 2 279.384 1.107 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)C(=O)OC ZINC000337359764 262447820 /nfs/dbraw/zinc/44/78/20/262447820.db2.gz CNBFLLPXLFQKFM-ZIAGYGMSSA-N 1 2 297.395 1.670 20 30 CDEDLO Cn1nc(Br)c2c1nc[nH+]c2NCCCC#N ZINC000273323591 263015503 /nfs/dbraw/zinc/01/55/03/263015503.db2.gz KRAQAPRURDVSLM-UHFFFAOYSA-N 1 2 295.144 1.841 20 30 CDEDLO Oc1ccc(/C=N/CC2([NH+]3CCOCC3)CC2)c(O)c1O ZINC000277480371 263041506 /nfs/dbraw/zinc/04/15/06/263041506.db2.gz KQPDBVMMJWDWFJ-CXUHLZMHSA-N 1 2 292.335 1.087 20 30 CDEDLO C=CCN1CC[C@@H](O[NH+]=C(N)c2ccc(OC)cc2)C1=O ZINC000283504897 263083015 /nfs/dbraw/zinc/08/30/15/263083015.db2.gz JWWFWNWEDLYPKG-CYBMUJFWSA-N 1 2 289.335 1.119 20 30 CDEDLO Oc1ccc(/C=[NH+]/CCC2(O)CCC2)c(O)c1O ZINC000283812861 263084311 /nfs/dbraw/zinc/08/43/11/263084311.db2.gz DFPNOLXVPMOKHY-RIYZIHGNSA-N 1 2 251.282 1.527 20 30 CDEDLO Cc1ccccc1NC(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000284416561 263086812 /nfs/dbraw/zinc/08/68/12/263086812.db2.gz NYCULVBSBHKSKG-GFCCVEGCSA-N 1 2 277.324 1.401 20 30 CDEDLO Cc1ccsc1CNC(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000284582168 263087257 /nfs/dbraw/zinc/08/72/57/263087257.db2.gz XKZAAINQLCOJMA-SNVBAGLBSA-N 1 2 297.380 1.141 20 30 CDEDLO Cc1ncc(CO)c(/C=[NH+]/C[C@@H]2CCOC[C@@H]2C)c1O ZINC000285277531 263091805 /nfs/dbraw/zinc/09/18/05/263091805.db2.gz IFUYNMKJEVFWGT-HPLSQHTNSA-N 1 2 278.352 1.679 20 30 CDEDLO COc1ccccc1CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000299169830 263233796 /nfs/dbraw/zinc/23/37/96/263233796.db2.gz QXEGYMQXKVYQCO-QWHCGFSZSA-N 1 2 289.379 1.791 20 30 CDEDLO COc1ccccc1CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000299169830 263233797 /nfs/dbraw/zinc/23/37/97/263233797.db2.gz QXEGYMQXKVYQCO-QWHCGFSZSA-N 1 2 289.379 1.791 20 30 CDEDLO C=CCCS(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000121440660 263295552 /nfs/dbraw/zinc/29/55/52/263295552.db2.gz ALIGHZCYZGNMSY-LLVKDONJSA-N 1 2 269.370 1.843 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000341453256 263336067 /nfs/dbraw/zinc/33/60/67/263336067.db2.gz ACVCWVPOERTHMU-UONOGXRCSA-N 1 2 283.416 1.703 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2nnc3n2CCCC3)CC1 ZINC000341977087 263368674 /nfs/dbraw/zinc/36/86/74/263368674.db2.gz MBEPIQZMWWRRHG-UHFFFAOYSA-N 1 2 289.383 1.367 20 30 CDEDLO CCCc1noc(C[NH+]2CCC(C#N)(COC)CC2)n1 ZINC000342000388 263375418 /nfs/dbraw/zinc/37/54/18/263375418.db2.gz WIOMGDVATDOBEG-UHFFFAOYSA-N 1 2 278.356 1.774 20 30 CDEDLO C[C@H](C(=O)N[C@@H](C)c1nncn1C)[NH+]1CCSCC1 ZINC000328950932 263897126 /nfs/dbraw/zinc/89/71/26/263897126.db2.gz HPHAJSJSOGCQII-VHSXEESVSA-N 1 2 283.401 1.270 20 30 CDEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000330631779 264000181 /nfs/dbraw/zinc/00/01/81/264000181.db2.gz GNLNNQNVKKTUDT-GZBFAFLISA-N 1 2 281.400 1.540 20 30 CDEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000330631779 264000182 /nfs/dbraw/zinc/00/01/82/264000182.db2.gz GNLNNQNVKKTUDT-GZBFAFLISA-N 1 2 281.400 1.540 20 30 CDEDLO C[C@@H]1[N@H+](CC(=O)N(CCC#N)CCC#N)CCOC1(C)C ZINC000331044083 264107837 /nfs/dbraw/zinc/10/78/37/264107837.db2.gz FPOBSJCWEUISHL-ZDUSSCGKSA-N 1 2 292.383 1.142 20 30 CDEDLO C[C@@H]1[N@@H+](CC(=O)N(CCC#N)CCC#N)CCOC1(C)C ZINC000331044083 264107839 /nfs/dbraw/zinc/10/78/39/264107839.db2.gz FPOBSJCWEUISHL-ZDUSSCGKSA-N 1 2 292.383 1.142 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)N[C@@H](C)CCO)cc2n1C ZINC000331084477 264117791 /nfs/dbraw/zinc/11/77/91/264117791.db2.gz ZHZWVPXMIRKRBI-VIFPVBQESA-N 1 2 261.325 1.957 20 30 CDEDLO C[C@H](C#N)NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000353791556 264475450 /nfs/dbraw/zinc/47/54/50/264475450.db2.gz GIKCZYMJDHZUPT-LLVKDONJSA-N 1 2 290.348 1.122 20 30 CDEDLO C=CC[N@H+](Cc1nnc2n1CCCC2)[C@@H](C)COC ZINC000661239337 424069911 /nfs/dbraw/zinc/06/99/11/424069911.db2.gz FVWUWWVVCOIPED-LBPRGKRZSA-N 1 2 264.373 1.637 20 30 CDEDLO C=CC[N@@H+](Cc1nnc2n1CCCC2)[C@@H](C)COC ZINC000661239337 424069918 /nfs/dbraw/zinc/06/99/18/424069918.db2.gz FVWUWWVVCOIPED-LBPRGKRZSA-N 1 2 264.373 1.637 20 30 CDEDLO C=C(C)CN(CC)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356367556 266102555 /nfs/dbraw/zinc/10/25/55/266102555.db2.gz UCBLFEOIGVNQOZ-ZDUSSCGKSA-N 1 2 269.389 1.315 20 30 CDEDLO C=C(C)CN(CC)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356367556 266102557 /nfs/dbraw/zinc/10/25/57/266102557.db2.gz UCBLFEOIGVNQOZ-ZDUSSCGKSA-N 1 2 269.389 1.315 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000356810620 266178586 /nfs/dbraw/zinc/17/85/86/266178586.db2.gz GEFYZFACFHLQEZ-ZIAGYGMSSA-N 1 2 280.412 1.910 20 30 CDEDLO CCc1nnc(CNc2cc(C)[nH+]cc2C#N)s1 ZINC000399359669 266453822 /nfs/dbraw/zinc/45/38/22/266453822.db2.gz AWSIEANSQNMDEG-UHFFFAOYSA-N 1 2 259.338 1.710 20 30 CDEDLO C=C[C@@H](C)NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000362543490 267004933 /nfs/dbraw/zinc/00/49/33/267004933.db2.gz SOUUIVRBBRKBTL-GFCCVEGCSA-N 1 2 290.367 1.292 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000368848004 267209244 /nfs/dbraw/zinc/20/92/44/267209244.db2.gz SJHFYLUEBDODCY-SECBINFHSA-N 1 2 270.720 1.064 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000368848004 267209246 /nfs/dbraw/zinc/20/92/46/267209246.db2.gz SJHFYLUEBDODCY-SECBINFHSA-N 1 2 270.720 1.064 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@@H](C(N)=O)C1 ZINC000250098031 267217070 /nfs/dbraw/zinc/21/70/70/267217070.db2.gz QYQMPNPBQFMFPQ-JOYOIKCWSA-N 1 2 263.366 1.706 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@@H](C(N)=O)C1 ZINC000250098031 267217071 /nfs/dbraw/zinc/21/70/71/267217071.db2.gz QYQMPNPBQFMFPQ-JOYOIKCWSA-N 1 2 263.366 1.706 20 30 CDEDLO C#CCCCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000369768094 267264939 /nfs/dbraw/zinc/26/49/39/267264939.db2.gz CBDKHZGCNFZVBW-UHFFFAOYSA-N 1 2 274.368 1.475 20 30 CDEDLO C=C(CNC(=O)[C@H]1COCC[N@H+]1CC)c1ccccc1 ZINC000377088758 268046121 /nfs/dbraw/zinc/04/61/21/268046121.db2.gz KZVMDIIRTKQNDN-OAHLLOKOSA-N 1 2 274.364 1.537 20 30 CDEDLO C=C(CNC(=O)[C@H]1COCC[N@@H+]1CC)c1ccccc1 ZINC000377088758 268046122 /nfs/dbraw/zinc/04/61/22/268046122.db2.gz KZVMDIIRTKQNDN-OAHLLOKOSA-N 1 2 274.364 1.537 20 30 CDEDLO CC(C)(CCC#N)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000377171062 268052377 /nfs/dbraw/zinc/05/23/77/268052377.db2.gz CSJKNSWWNXNMBO-GFCCVEGCSA-N 1 2 274.368 1.892 20 30 CDEDLO C=C(Br)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366952793 277761740 /nfs/dbraw/zinc/76/17/40/277761740.db2.gz BPWJJYCHZNGPKQ-NSHDSACASA-N 1 2 275.190 1.302 20 30 CDEDLO COC(=O)[C@H]1CCN(c2cc(C)[nH+]cc2C#N)C[C@@H]1C ZINC000425256615 277130669 /nfs/dbraw/zinc/13/06/69/277130669.db2.gz PBCLJPMKYQTSRV-GWCFXTLKSA-N 1 2 273.336 1.897 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000352039525 277915822 /nfs/dbraw/zinc/91/58/22/277915822.db2.gz QCUQYMXQODQXOP-OAHLLOKOSA-N 1 2 284.400 1.006 20 30 CDEDLO CCN(C[C@@H]1CCCO1)C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329627216 279219464 /nfs/dbraw/zinc/21/94/64/279219464.db2.gz UETPFNSYSFJXCU-RYUDHWBXSA-N 1 2 292.383 1.682 20 30 CDEDLO CCN(C[C@@H]1CCCO1)C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329627216 279219465 /nfs/dbraw/zinc/21/94/65/279219465.db2.gz UETPFNSYSFJXCU-RYUDHWBXSA-N 1 2 292.383 1.682 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@H]1CCOC1 ZINC000246305335 280271217 /nfs/dbraw/zinc/27/12/17/280271217.db2.gz CBGUFRDSMXNMQL-UKRRQHHQSA-N 1 2 288.347 1.741 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCOC1 ZINC000246305335 280271219 /nfs/dbraw/zinc/27/12/19/280271219.db2.gz CBGUFRDSMXNMQL-UKRRQHHQSA-N 1 2 288.347 1.741 20 30 CDEDLO C[C@@H]1C[C@H](NC(=O)N2CCn3cc[nH+]c3C2)CCO1 ZINC000329114367 288609865 /nfs/dbraw/zinc/60/98/65/288609865.db2.gz SGDVTVBJWBGMKA-GHMZBOCLSA-N 1 2 264.329 1.180 20 30 CDEDLO COc1cc(C#N)ccc1NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000545295666 289678009 /nfs/dbraw/zinc/67/80/09/289678009.db2.gz WRFFPWQGLPSAMS-LLVKDONJSA-N 1 2 299.334 1.974 20 30 CDEDLO C[C@H](O)C[C@@H]1COCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000554888903 290196475 /nfs/dbraw/zinc/19/64/75/290196475.db2.gz MJHDBKUDWURPCZ-CMPLNLGQSA-N 1 2 266.366 1.591 20 30 CDEDLO C[C@H](O)C[C@@H]1COCC[N@H+]1Cc1cc(C#N)cs1 ZINC000554888903 290196478 /nfs/dbraw/zinc/19/64/78/290196478.db2.gz MJHDBKUDWURPCZ-CMPLNLGQSA-N 1 2 266.366 1.591 20 30 CDEDLO CO[C@@H]1C[C@@H]([N@H+](C)Cc2ncc(C#N)cn2)C12CCC2 ZINC000557259507 290339039 /nfs/dbraw/zinc/33/90/39/290339039.db2.gz IQJFFNPPSOPRCA-CHWSQXEVSA-N 1 2 272.352 1.738 20 30 CDEDLO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2ncc(C#N)cn2)C12CCC2 ZINC000557259507 290339040 /nfs/dbraw/zinc/33/90/40/290339040.db2.gz IQJFFNPPSOPRCA-CHWSQXEVSA-N 1 2 272.352 1.738 20 30 CDEDLO N#Cc1cnn2cc(C[N@@H+]3CCOC[C@H]3C3CC3)cnc12 ZINC000569246252 294181374 /nfs/dbraw/zinc/18/13/74/294181374.db2.gz YQHVMVFEPSIJRY-AWEZNQCLSA-N 1 2 283.335 1.212 20 30 CDEDLO N#Cc1cnn2cc(C[N@H+]3CCOC[C@H]3C3CC3)cnc12 ZINC000569246252 294181375 /nfs/dbraw/zinc/18/13/75/294181375.db2.gz YQHVMVFEPSIJRY-AWEZNQCLSA-N 1 2 283.335 1.212 20 30 CDEDLO CCn1cc[nH+]c1CNC(=O)c1ncc(C#N)cc1C ZINC000570368310 294224322 /nfs/dbraw/zinc/22/43/22/294224322.db2.gz ROAYUELBSJLLIY-UHFFFAOYSA-N 1 2 269.308 1.408 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNc1cncc(C#N)n1)CCC2 ZINC000570705207 294293201 /nfs/dbraw/zinc/29/32/01/294293201.db2.gz SYBXYQMKXVSZPR-LLVKDONJSA-N 1 2 268.324 1.843 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)c(F)c1 ZINC000571962581 294530746 /nfs/dbraw/zinc/53/07/46/294530746.db2.gz IWRGGYJNLSHMND-UHFFFAOYSA-N 1 2 266.257 1.221 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C1(C2CC2)CCOCC1 ZINC000329735217 297123557 /nfs/dbraw/zinc/12/35/57/297123557.db2.gz KVJQLLGXSKBBKB-CYBMUJFWSA-N 1 2 296.411 1.870 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)C1(C2CC2)CCOCC1 ZINC000329735217 297123559 /nfs/dbraw/zinc/12/35/59/297123559.db2.gz KVJQLLGXSKBBKB-CYBMUJFWSA-N 1 2 296.411 1.870 20 30 CDEDLO C[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330055995 297558119 /nfs/dbraw/zinc/55/81/19/297558119.db2.gz VEEQEZWIDKQBCC-TUAOUCFPSA-N 1 2 263.341 1.970 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)ccc1F ZINC000160761547 303180475 /nfs/dbraw/zinc/18/04/75/303180475.db2.gz YWZAZVPYIQYLRS-OAHLLOKOSA-N 1 2 287.338 1.940 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)ccc1F ZINC000160761547 303180477 /nfs/dbraw/zinc/18/04/77/303180477.db2.gz YWZAZVPYIQYLRS-OAHLLOKOSA-N 1 2 287.338 1.940 20 30 CDEDLO COc1cc(Cl)ccc1CO[NH+]=C(N)CCO ZINC000279867803 328233506 /nfs/dbraw/zinc/23/35/06/328233506.db2.gz LJGGTTDTBOQNTP-UHFFFAOYSA-N 1 2 258.705 1.520 20 30 CDEDLO CCn1cc[nH+]c1CNc1ccc(C(=O)OC)nc1C#N ZINC000579376351 324174837 /nfs/dbraw/zinc/17/48/37/324174837.db2.gz NPZBEJPOYSWKAB-UHFFFAOYSA-N 1 2 285.307 1.568 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000579593756 324228939 /nfs/dbraw/zinc/22/89/39/324228939.db2.gz RUSIMWLRLONUAL-MNOVXSKESA-N 1 2 271.324 1.210 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000579593756 324228943 /nfs/dbraw/zinc/22/89/43/324228943.db2.gz RUSIMWLRLONUAL-MNOVXSKESA-N 1 2 271.324 1.210 20 30 CDEDLO N#Cc1cnn2cc(C[N@@H+]3CCO[C@H]4CCC[C@@H]43)cnc12 ZINC000582667168 325019984 /nfs/dbraw/zinc/01/99/84/325019984.db2.gz YJINMUOGKBWZSA-KBPBESRZSA-N 1 2 283.335 1.354 20 30 CDEDLO N#Cc1cnn2cc(C[N@H+]3CCO[C@H]4CCC[C@@H]43)cnc12 ZINC000582667168 325019985 /nfs/dbraw/zinc/01/99/85/325019985.db2.gz YJINMUOGKBWZSA-KBPBESRZSA-N 1 2 283.335 1.354 20 30 CDEDLO N#Cc1ccncc1N1CC[NH+](Cc2cncs2)CC1 ZINC000582762142 325038001 /nfs/dbraw/zinc/03/80/01/325038001.db2.gz PLRQVVHZGIMLKD-UHFFFAOYSA-N 1 2 285.376 1.732 20 30 CDEDLO Cc1cc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)n(CCC#N)n1 ZINC000533548371 326856888 /nfs/dbraw/zinc/85/68/88/326856888.db2.gz MVDMYOBTLMTZNF-GFCCVEGCSA-N 1 2 298.350 1.503 20 30 CDEDLO N#CCc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000058241287 327010619 /nfs/dbraw/zinc/01/06/19/327010619.db2.gz MKCNUWXIUYHDNL-UHFFFAOYSA-N 1 2 268.320 1.769 20 30 CDEDLO C[C@@H](CC#N)NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000553427279 327018352 /nfs/dbraw/zinc/01/83/52/327018352.db2.gz UFVNJBPJADQDKP-IUCAKERBSA-N 1 2 288.273 1.874 20 30 CDEDLO Cc1ncc(C[NH+]2CCN(CCC#N)CC2)s1 ZINC000105902382 327242965 /nfs/dbraw/zinc/24/29/65/327242965.db2.gz XLMIOGMELBKOIC-UHFFFAOYSA-N 1 2 250.371 1.483 20 30 CDEDLO CC(C)(C#N)CCS(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000583349345 327313690 /nfs/dbraw/zinc/31/36/90/327313690.db2.gz FDATVZVOTCHOPC-UHFFFAOYSA-N 1 2 298.412 1.523 20 30 CDEDLO CCS(=O)(=O)c1cccc(C[NH2+]CCC#N)c1 ZINC000570710650 327612968 /nfs/dbraw/zinc/61/29/68/327612968.db2.gz FOMAOBPKKLARIU-UHFFFAOYSA-N 1 2 252.339 1.483 20 30 CDEDLO CCCCCCCS(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000377770446 329028737 /nfs/dbraw/zinc/02/87/37/329028737.db2.gz DYYMIZWVSWFBTO-UHFFFAOYSA-N 1 2 285.413 1.999 20 30 CDEDLO CC#CC[NH+]1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 ZINC000174051267 329153864 /nfs/dbraw/zinc/15/38/64/329153864.db2.gz VQYSRMGZKOIFET-CYBMUJFWSA-N 1 2 292.383 1.308 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCCN(C(C)C)C1=O ZINC000179309484 329207165 /nfs/dbraw/zinc/20/71/65/329207165.db2.gz NMKOFEKBHDTDGC-QWHCGFSZSA-N 1 2 251.374 1.867 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCCN(C(C)C)C1=O ZINC000179309484 329207167 /nfs/dbraw/zinc/20/71/67/329207167.db2.gz NMKOFEKBHDTDGC-QWHCGFSZSA-N 1 2 251.374 1.867 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC1(C#N)CCC1 ZINC000419652133 329743578 /nfs/dbraw/zinc/74/35/78/329743578.db2.gz XDFVLQYNPRLYAK-ZDUSSCGKSA-N 1 2 294.399 1.042 20 30 CDEDLO C=C(C)CN(CC)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000079512357 330039321 /nfs/dbraw/zinc/03/93/21/330039321.db2.gz LCNGLPLMBXGQNF-GFCCVEGCSA-N 1 2 250.346 1.879 20 30 CDEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cnn(CC)c2)nn1 ZINC000424297353 330336306 /nfs/dbraw/zinc/33/63/06/330336306.db2.gz QNVCSSWPMFAHSG-NSHDSACASA-N 1 2 260.345 1.531 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000456785989 331204053 /nfs/dbraw/zinc/20/40/53/331204053.db2.gz ZXNOIZDHAIVJMV-LBPRGKRZSA-N 1 2 259.309 1.391 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000458743236 331258750 /nfs/dbraw/zinc/25/87/50/331258750.db2.gz ZWKDIZWUPCJTSV-UHFFFAOYSA-N 1 2 294.399 1.042 20 30 CDEDLO CC(C)(CC#N)CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000458804566 331260222 /nfs/dbraw/zinc/26/02/22/331260222.db2.gz XNSKNZQDGGKYOK-ZDUSSCGKSA-N 1 2 294.399 1.089 20 30 CDEDLO CC(C)(CC#N)CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000458804566 331260223 /nfs/dbraw/zinc/26/02/23/331260223.db2.gz XNSKNZQDGGKYOK-ZDUSSCGKSA-N 1 2 294.399 1.089 20 30 CDEDLO C#C[C@H](CC)NC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000490720444 332108942 /nfs/dbraw/zinc/10/89/42/332108942.db2.gz RPWQFXFKJCTXQG-CHWSQXEVSA-N 1 2 289.383 1.210 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000490741311 332111393 /nfs/dbraw/zinc/11/13/93/332111393.db2.gz UCVOIUIRXQKCKR-UHFFFAOYSA-N 1 2 279.347 1.336 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000490741311 332111395 /nfs/dbraw/zinc/11/13/95/332111395.db2.gz UCVOIUIRXQKCKR-UHFFFAOYSA-N 1 2 279.347 1.336 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000491092432 332147980 /nfs/dbraw/zinc/14/79/80/332147980.db2.gz BTWVLJZVSZNNOM-LBPRGKRZSA-N 1 2 283.335 1.812 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)NC2(CCCCCCC2)C1=O ZINC000491474954 332218341 /nfs/dbraw/zinc/21/83/41/332218341.db2.gz RFPKXYYYMHBQQU-CYBMUJFWSA-N 1 2 291.395 1.932 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)NC2(CCCCCCC2)C1=O ZINC000491474954 332218342 /nfs/dbraw/zinc/21/83/42/332218342.db2.gz RFPKXYYYMHBQQU-CYBMUJFWSA-N 1 2 291.395 1.932 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000491625200 332249268 /nfs/dbraw/zinc/24/92/68/332249268.db2.gz KDCJULFWRBETME-VIFPVBQESA-N 1 2 252.264 1.857 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000491625200 332249270 /nfs/dbraw/zinc/24/92/70/332249270.db2.gz KDCJULFWRBETME-VIFPVBQESA-N 1 2 252.264 1.857 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000491635642 332256737 /nfs/dbraw/zinc/25/67/37/332256737.db2.gz KWHJXAZTLOCPLT-SNVBAGLBSA-N 1 2 259.309 1.117 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000491664321 332273309 /nfs/dbraw/zinc/27/33/09/332273309.db2.gz SLTIZYPNFLEQDO-NSHDSACASA-N 1 2 255.321 1.825 20 30 CDEDLO C#CC[NH+]1CCN(c2cc(C(F)F)nc(SC)n2)CC1 ZINC000491706463 332299306 /nfs/dbraw/zinc/29/93/06/332299306.db2.gz QWOZYKWRFDCUCB-UHFFFAOYSA-N 1 2 298.362 1.891 20 30 CDEDLO CC(C)c1cccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)n1 ZINC000521254859 333116591 /nfs/dbraw/zinc/11/65/91/333116591.db2.gz QPLYYGLYSYMGIG-OAHLLOKOSA-N 1 2 274.368 1.779 20 30 CDEDLO C#CC[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000192224759 333232692 /nfs/dbraw/zinc/23/26/92/333232692.db2.gz LJOBCWHCKAAFES-UHFFFAOYSA-N 1 2 272.264 1.710 20 30 CDEDLO C#CC[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000192224759 333232694 /nfs/dbraw/zinc/23/26/94/333232694.db2.gz LJOBCWHCKAAFES-UHFFFAOYSA-N 1 2 272.264 1.710 20 30 CDEDLO CC[C@@H](OC1CCCC1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000567592994 333310812 /nfs/dbraw/zinc/31/08/12/333310812.db2.gz NETKXGIGIMTHKJ-HIFRSBDPSA-N 1 2 281.400 1.684 20 30 CDEDLO COCCN(CC#N)Cc1[nH+]ccc(OC)c1OC ZINC000316949488 333407496 /nfs/dbraw/zinc/40/74/96/333407496.db2.gz ZEJPDIIPIJRZJL-UHFFFAOYSA-N 1 2 265.313 1.071 20 30 CDEDLO C[C@@H](C#N)CNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000542874254 333846864 /nfs/dbraw/zinc/84/68/64/333846864.db2.gz GJXHUPKQMKHTNV-JTQLQIEISA-N 1 2 261.329 1.106 20 30 CDEDLO CC(C)(C#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000133224004 334028706 /nfs/dbraw/zinc/02/87/06/334028706.db2.gz RDBGPOLYFBJQMV-CQSZACIVSA-N 1 2 287.363 1.306 20 30 CDEDLO CC(C)(C#N)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000133224004 334028707 /nfs/dbraw/zinc/02/87/07/334028707.db2.gz RDBGPOLYFBJQMV-CQSZACIVSA-N 1 2 287.363 1.306 20 30 CDEDLO N#CC1(C[N@H+]2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)CCC1 ZINC000577186762 335318798 /nfs/dbraw/zinc/31/87/98/335318798.db2.gz WFOUKYIHVZMTJC-KFWWJZLASA-N 1 2 278.396 1.932 20 30 CDEDLO N#CC1(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)CCC1 ZINC000577186762 335318799 /nfs/dbraw/zinc/31/87/99/335318799.db2.gz WFOUKYIHVZMTJC-KFWWJZLASA-N 1 2 278.396 1.932 20 30 CDEDLO Cc1ccc(O[C@@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000581432770 336076666 /nfs/dbraw/zinc/07/66/66/336076666.db2.gz KBWUTBIIFNVNMF-BBRMVZONSA-N 1 2 289.379 1.722 20 30 CDEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@@H](C)[C@@H](C)CC)C1 ZINC001755337767 1159837096 /nfs/dbraw/zinc/83/70/96/1159837096.db2.gz SWEGPOOMRXVETR-KBPBESRZSA-N 1 2 280.412 1.245 20 30 CDEDLO CN(C)C(=S)N[NH+]=Cc1ccc(N)c(Cl)c1 ZINC000309296462 1160295996 /nfs/dbraw/zinc/29/59/96/1160295996.db2.gz RQBAAXISPCAFSR-UHFFFAOYSA-N 1 2 256.762 1.692 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)cc2)[C@H](OC)C1 ZINC001082337102 1161573792 /nfs/dbraw/zinc/57/37/92/1161573792.db2.gz AFDVCXANTNECBV-ZIAGYGMSSA-N 1 2 292.766 1.402 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(Cl)cc2)[C@H](OC)C1 ZINC001082337102 1161573797 /nfs/dbraw/zinc/57/37/97/1161573797.db2.gz AFDVCXANTNECBV-ZIAGYGMSSA-N 1 2 292.766 1.402 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(CC)ccn1 ZINC001085612964 1161948407 /nfs/dbraw/zinc/94/84/07/1161948407.db2.gz FDJXMPUIEKILAX-AWEZNQCLSA-N 1 2 271.364 1.424 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(CC)ccn1 ZINC001085612964 1161948410 /nfs/dbraw/zinc/94/84/10/1161948410.db2.gz FDJXMPUIEKILAX-AWEZNQCLSA-N 1 2 271.364 1.424 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)C(C)C)C1 ZINC001108253287 1161967075 /nfs/dbraw/zinc/96/70/75/1161967075.db2.gz HFHAFQGVXLXXKB-HIFRSBDPSA-N 1 2 268.401 1.672 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)C(C)C)C1 ZINC001108253287 1161967078 /nfs/dbraw/zinc/96/70/78/1161967078.db2.gz HFHAFQGVXLXXKB-HIFRSBDPSA-N 1 2 268.401 1.672 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001113247106 1162137352 /nfs/dbraw/zinc/13/73/52/1162137352.db2.gz ZUXMGVVBBNMJNW-AWEZNQCLSA-N 1 2 290.411 1.667 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCCn2nc(C)nc2C)CC1 ZINC001113523136 1162204623 /nfs/dbraw/zinc/20/46/23/1162204623.db2.gz WOYHVWFAFUKZRH-UHFFFAOYSA-N 1 2 291.399 1.005 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)COc1ccc(C#N)cc1 ZINC000016470575 523590907 /nfs/dbraw/zinc/59/09/07/523590907.db2.gz CKQJYQAKTIAHFL-UHFFFAOYSA-N 1 2 284.319 1.329 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000352238463 527276305 /nfs/dbraw/zinc/27/63/05/527276305.db2.gz PFJKDKNNYCMGDV-LBPRGKRZSA-N 1 2 292.383 1.240 20 30 CDEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC[S@](=O)C1 ZINC000330035589 528726811 /nfs/dbraw/zinc/72/68/11/528726811.db2.gz XOOOINDDZPOSMI-GIPWTMENSA-N 1 2 298.412 1.064 20 30 CDEDLO CC(C)[C@@H]1C[C@H](NC(=O)NCC[NH+]2CCOCC2)CCO1 ZINC000329132447 528781333 /nfs/dbraw/zinc/78/13/33/528781333.db2.gz YJAHVSZEIOTTFL-KGLIPLIRSA-N 1 2 299.415 1.026 20 30 CDEDLO C[C@H](C(=O)N[C@@H]1CCCNC1=O)[NH+]1CCSCC1 ZINC000328939341 538443472 /nfs/dbraw/zinc/44/34/72/538443472.db2.gz HCKRRHLUQJAQLY-NXEZZACHSA-N 1 2 271.386 1.499 20 30 CDEDLO CCON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000725793273 574436677 /nfs/dbraw/zinc/43/66/77/574436677.db2.gz XKAMTDVDZDZEHI-UHFFFAOYSA-N 1 2 263.341 1.176 20 30 CDEDLO CO[C@H](C)CC/[NH+]=C\c1c(O)c(C)ncc1CO ZINC000726430138 574498878 /nfs/dbraw/zinc/49/88/78/574498878.db2.gz WIWYIIZGPGZELT-UGHKADQRSA-N 1 2 252.314 1.432 20 30 CDEDLO C=CC[N@H+](CC1=Nc2ccccc2S(=O)(=O)N1)C(C)C ZINC000727124185 574552548 /nfs/dbraw/zinc/55/25/48/574552548.db2.gz KKTKRWKRUIWEEM-UHFFFAOYSA-N 1 2 293.392 1.905 20 30 CDEDLO C=CC[N@@H+](CC1=Nc2ccccc2S(=O)(=O)N1)C(C)C ZINC000727124185 574552550 /nfs/dbraw/zinc/55/25/50/574552550.db2.gz KKTKRWKRUIWEEM-UHFFFAOYSA-N 1 2 293.392 1.905 20 30 CDEDLO CCOc1cccc(/C=N/CC[N@@H+]2CCOC[C@H]2C)c1O ZINC000729148801 574722908 /nfs/dbraw/zinc/72/29/08/574722908.db2.gz DXTRUAYQIWIPCC-VVBXCHJUSA-N 1 2 292.379 1.931 20 30 CDEDLO CCOc1cccc(/C=N/CC[N@H+]2CCOC[C@H]2C)c1O ZINC000729148801 574722909 /nfs/dbraw/zinc/72/29/09/574722909.db2.gz DXTRUAYQIWIPCC-VVBXCHJUSA-N 1 2 292.379 1.931 20 30 CDEDLO COc1cccc(/C=N/CC[N@@H+]2CCOC[C@@H]2C)c1O ZINC000729148681 574722975 /nfs/dbraw/zinc/72/29/75/574722975.db2.gz CZZAEOSCHBATFP-SEJMYLSOSA-N 1 2 278.352 1.540 20 30 CDEDLO COc1cccc(/C=N/CC[N@H+]2CCOC[C@@H]2C)c1O ZINC000729148681 574722977 /nfs/dbraw/zinc/72/29/77/574722977.db2.gz CZZAEOSCHBATFP-SEJMYLSOSA-N 1 2 278.352 1.540 20 30 CDEDLO C#CCOc1ccc(NC(=O)CCn2cc[nH+]c2)cc1 ZINC000731012230 575029295 /nfs/dbraw/zinc/02/92/95/575029295.db2.gz ICLXIMLQPYZXOG-UHFFFAOYSA-N 1 2 269.304 1.924 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(CC(C)C)nn1C ZINC000732065014 575077438 /nfs/dbraw/zinc/07/74/38/575077438.db2.gz NPGRZISGMXXOAX-AWEZNQCLSA-N 1 2 288.395 1.655 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(CC(C)C)nn1C ZINC000732065014 575077439 /nfs/dbraw/zinc/07/74/39/575077439.db2.gz NPGRZISGMXXOAX-AWEZNQCLSA-N 1 2 288.395 1.655 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000732208626 575083502 /nfs/dbraw/zinc/08/35/02/575083502.db2.gz BAKAGELTEPMFOY-JKIFEVAISA-N 1 2 286.375 1.586 20 30 CDEDLO C#CCNC(=O)C[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000732208626 575083503 /nfs/dbraw/zinc/08/35/03/575083503.db2.gz BAKAGELTEPMFOY-JKIFEVAISA-N 1 2 286.375 1.586 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761075993 576542924 /nfs/dbraw/zinc/54/29/24/576542924.db2.gz GGTPUZUFPHJKCL-KGLIPLIRSA-N 1 2 267.417 1.435 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCN(C)[C@H](C)C1 ZINC000761075993 576542925 /nfs/dbraw/zinc/54/29/25/576542925.db2.gz GGTPUZUFPHJKCL-KGLIPLIRSA-N 1 2 267.417 1.435 20 30 CDEDLO N#CCCNC(=O)C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000734487401 575348713 /nfs/dbraw/zinc/34/87/13/575348713.db2.gz GLYWHRWLCXKEBO-CQSZACIVSA-N 1 2 289.404 1.806 20 30 CDEDLO N#CCCNC(=O)C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000734487401 575348716 /nfs/dbraw/zinc/34/87/16/575348716.db2.gz GLYWHRWLCXKEBO-CQSZACIVSA-N 1 2 289.404 1.806 20 30 CDEDLO C[C@H](C#N)CNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000770796556 575499632 /nfs/dbraw/zinc/49/96/32/575499632.db2.gz MZCODARYVSYMDW-NEPJUHHUSA-N 1 2 275.356 1.469 20 30 CDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)OCCn1cc[nH+]c1 ZINC000771875098 575630734 /nfs/dbraw/zinc/63/07/34/575630734.db2.gz NXGJLQIHZPOPGE-LBPRGKRZSA-N 1 2 285.303 1.765 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)C2CCC2)CC1 ZINC000772114066 575660995 /nfs/dbraw/zinc/66/09/95/575660995.db2.gz UIXHSYZVYSFWEA-UHFFFAOYSA-N 1 2 263.337 1.244 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CC1=NNS(C)(=O)=O ZINC000764701421 575935470 /nfs/dbraw/zinc/93/54/70/575935470.db2.gz OWVSKZLWTOQZKF-LLVKDONJSA-N 1 2 281.381 1.044 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CC1=NNS(C)(=O)=O ZINC000764701421 575935472 /nfs/dbraw/zinc/93/54/72/575935472.db2.gz OWVSKZLWTOQZKF-LLVKDONJSA-N 1 2 281.381 1.044 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]NCCc1ccccc1F ZINC000764723474 575938832 /nfs/dbraw/zinc/93/88/32/575938832.db2.gz OPKKWTXJWKUJHT-UHFFFAOYSA-N 1 2 289.314 1.373 20 30 CDEDLO N#CC1(CS(=O)(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000766022145 576072515 /nfs/dbraw/zinc/07/25/15/576072515.db2.gz ONJBTQRHXFZWAP-UHFFFAOYSA-N 1 2 290.348 1.057 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000766940516 576147887 /nfs/dbraw/zinc/14/78/87/576147887.db2.gz LYYXOZWDSSALON-LLVKDONJSA-N 1 2 282.347 1.100 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cc2c(c(OC)c1)OCO2 ZINC000769448638 576354809 /nfs/dbraw/zinc/35/48/09/576354809.db2.gz VGMUJCWKSDOASM-UHFFFAOYSA-N 1 2 271.316 1.882 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cc2c(c(OC)c1)OCO2 ZINC000769448638 576354810 /nfs/dbraw/zinc/35/48/10/576354810.db2.gz VGMUJCWKSDOASM-UHFFFAOYSA-N 1 2 271.316 1.882 20 30 CDEDLO CC(C)C[N@H+](CCC#N)CC(=O)N1CCO[C@@H](C)C1 ZINC000739915375 576397798 /nfs/dbraw/zinc/39/77/98/576397798.db2.gz ZFZIIFOBHVPTDY-ZDUSSCGKSA-N 1 2 267.373 1.105 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)CC(=O)N1CCO[C@@H](C)C1 ZINC000739915375 576397801 /nfs/dbraw/zinc/39/78/01/576397801.db2.gz ZFZIIFOBHVPTDY-ZDUSSCGKSA-N 1 2 267.373 1.105 20 30 CDEDLO N#CCCCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741383716 576554716 /nfs/dbraw/zinc/55/47/16/576554716.db2.gz VRDAORHARRKQMI-HNNXBMFYSA-N 1 2 288.347 1.734 20 30 CDEDLO N#CCCCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741383716 576554719 /nfs/dbraw/zinc/55/47/19/576554719.db2.gz VRDAORHARRKQMI-HNNXBMFYSA-N 1 2 288.347 1.734 20 30 CDEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NCCC#N ZINC000744405305 576679298 /nfs/dbraw/zinc/67/92/98/576679298.db2.gz HAXQMZYOEUUHNR-UHFFFAOYSA-N 1 2 250.346 1.278 20 30 CDEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NCCC#N ZINC000744405305 576679301 /nfs/dbraw/zinc/67/93/01/576679301.db2.gz HAXQMZYOEUUHNR-UHFFFAOYSA-N 1 2 250.346 1.278 20 30 CDEDLO C#CC[NH+]1CCN(c2ncnc3c2CCCC3)CC1 ZINC000763326866 576730962 /nfs/dbraw/zinc/73/09/62/576730962.db2.gz GNAJPHDNKPJXNT-UHFFFAOYSA-N 1 2 256.353 1.111 20 30 CDEDLO COC(=O)[C@](C)([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000763560836 576742056 /nfs/dbraw/zinc/74/20/56/576742056.db2.gz PJUKYBFIJGQZOP-GDBMZVCRSA-N 1 2 288.347 1.523 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2c(C)noc2C(F)F)CC1 ZINC000746191944 576760839 /nfs/dbraw/zinc/76/08/39/576760839.db2.gz SPYNEDAMLZREJT-UHFFFAOYSA-N 1 2 297.305 1.702 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)[C@H]2CCC(=O)[C@H](C)C2)CC1 ZINC000763989802 576771532 /nfs/dbraw/zinc/77/15/32/576771532.db2.gz DMTJEGCOHXQFBM-KGLIPLIRSA-N 1 2 276.380 1.159 20 30 CDEDLO COCC(N=NC1=[NH+][C@H]2CCCC[C@@H]2N1)C(C)C ZINC000753929217 576866728 /nfs/dbraw/zinc/86/67/28/576866728.db2.gz PNDKEPPROUSITC-QWRGUYRKSA-N 1 2 252.362 1.505 20 30 CDEDLO Nc1[nH+]cccc1CN=Nc1ccc(C(F)(F)F)nn1 ZINC000754711391 576911682 /nfs/dbraw/zinc/91/16/82/576911682.db2.gz PHDFYABSSIFHQQ-UHFFFAOYSA-N 1 2 282.229 1.919 20 30 CDEDLO CCN1CC[N@H+](CCCOc2ccc(C#N)cc2)CC1=O ZINC000755289108 576938850 /nfs/dbraw/zinc/93/88/50/576938850.db2.gz DJFIKCZESHQUCV-UHFFFAOYSA-N 1 2 287.363 1.491 20 30 CDEDLO CCN1CC[N@@H+](CCCOc2ccc(C#N)cc2)CC1=O ZINC000755289108 576938851 /nfs/dbraw/zinc/93/88/51/576938851.db2.gz DJFIKCZESHQUCV-UHFFFAOYSA-N 1 2 287.363 1.491 20 30 CDEDLO Cc1[nH]c[nH+]c1C=NNC(=S)NC1CCCCC1 ZINC000755506683 576947405 /nfs/dbraw/zinc/94/74/05/576947405.db2.gz ZWWLXSLVAGKXQM-UHFFFAOYSA-N 1 2 265.386 1.849 20 30 CDEDLO CCn1c(=O)c2ccccc2nc1NN=Cc1[nH+]c[nH]c1C ZINC000755605417 576951735 /nfs/dbraw/zinc/95/17/35/576951735.db2.gz XNWNVUFEJUWANS-UHFFFAOYSA-N 1 2 296.334 1.894 20 30 CDEDLO Cc1ccc2[nH+]cc(CN=Nc3ncccn3)n2c1 ZINC000755633940 576953116 /nfs/dbraw/zinc/95/31/16/576953116.db2.gz ICCOWFNQQPXYGP-UHFFFAOYSA-N 1 2 252.281 1.879 20 30 CDEDLO C#CC(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000756040016 576975072 /nfs/dbraw/zinc/97/50/72/576975072.db2.gz MLMSUGUZNVCBNO-CYBMUJFWSA-N 1 2 267.332 1.969 20 30 CDEDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cn1cccc(C#N)c1=O ZINC000758237050 577088028 /nfs/dbraw/zinc/08/80/28/577088028.db2.gz OBASLSPFELCQST-OAHLLOKOSA-N 1 2 297.362 1.557 20 30 CDEDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cn1cccc(C#N)c1=O ZINC000758237050 577088030 /nfs/dbraw/zinc/08/80/30/577088030.db2.gz OBASLSPFELCQST-OAHLLOKOSA-N 1 2 297.362 1.557 20 30 CDEDLO CON=Cc1ccc(C(=O)NCc2c[nH+]cn2C)cc1 ZINC000752952022 577136468 /nfs/dbraw/zinc/13/64/68/577136468.db2.gz KYWHMBVSJKASLU-UHFFFAOYSA-N 1 2 272.308 1.330 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2nc(Cl)ccc2F)CC1 ZINC000758959403 577144019 /nfs/dbraw/zinc/14/40/19/577144019.db2.gz JCOWODCYPXSWNJ-UHFFFAOYSA-N 1 2 295.745 1.655 20 30 CDEDLO C=CC[N@H+](Cc1nnnn1CC(F)(F)F)C(C)C ZINC000759338241 577170654 /nfs/dbraw/zinc/17/06/54/577170654.db2.gz OAEHOLXLKYDSJE-UHFFFAOYSA-N 1 2 263.267 1.632 20 30 CDEDLO C=CC[N@@H+](Cc1nnnn1CC(F)(F)F)C(C)C ZINC000759338241 577170655 /nfs/dbraw/zinc/17/06/55/577170655.db2.gz OAEHOLXLKYDSJE-UHFFFAOYSA-N 1 2 263.267 1.632 20 30 CDEDLO C=C(Cl)C[NH2+]C1CC[NH+](CCCC(=O)[O-])CC1 ZINC000833371045 605226274 /nfs/dbraw/zinc/22/62/74/605226274.db2.gz VGASQPMMNLKQFD-UHFFFAOYSA-N 1 2 260.765 1.658 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(Cl)no2)C1 ZINC000957310172 612991721 /nfs/dbraw/zinc/99/17/21/612991721.db2.gz IDLWCIHUIIEAJH-UHFFFAOYSA-N 1 2 281.743 1.498 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2coc(OCC)n2)C1 ZINC000950763072 612992945 /nfs/dbraw/zinc/99/29/45/612992945.db2.gz KSRDHDUSGFDMJM-UHFFFAOYSA-N 1 2 291.351 1.243 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2nccs2)C1 ZINC000968467660 613255482 /nfs/dbraw/zinc/25/54/82/613255482.db2.gz GJJRGRZKFFCEAW-WDEREUQCSA-N 1 2 263.366 1.217 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2nccs2)C1 ZINC000968467660 613255484 /nfs/dbraw/zinc/25/54/84/613255484.db2.gz GJJRGRZKFFCEAW-WDEREUQCSA-N 1 2 263.366 1.217 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCOC2)C1 ZINC000949754176 613294708 /nfs/dbraw/zinc/29/47/08/613294708.db2.gz FBELVLXTGGGADI-GFCCVEGCSA-N 1 2 252.358 1.132 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2c[nH]c(C)cc2=O)CC1 ZINC000957052355 613319965 /nfs/dbraw/zinc/31/99/65/613319965.db2.gz AHJXUSLQIIQHNN-UHFFFAOYSA-N 1 2 275.352 1.017 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnn3cccnc23)CC1 ZINC000949593723 613321797 /nfs/dbraw/zinc/32/17/97/613321797.db2.gz HXMJFMHELQDUOA-UHFFFAOYSA-N 1 2 285.351 1.063 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1 ZINC000949066379 613322253 /nfs/dbraw/zinc/32/22/53/613322253.db2.gz FAFDWDNMIQLBBL-UHFFFAOYSA-N 1 2 288.395 1.622 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC000968172590 613324125 /nfs/dbraw/zinc/32/41/25/613324125.db2.gz GMQOFBNLZAUKCD-NEPJUHHUSA-N 1 2 292.383 1.142 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC000968172590 613324127 /nfs/dbraw/zinc/32/41/27/613324127.db2.gz GMQOFBNLZAUKCD-NEPJUHHUSA-N 1 2 292.383 1.142 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC2(F)F)C1 ZINC000969632305 613371544 /nfs/dbraw/zinc/37/15/44/613371544.db2.gz MNFLANODSALJCI-SCZZXKLOSA-N 1 2 278.730 1.831 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2oncc2C)C1 ZINC000970667563 613372013 /nfs/dbraw/zinc/37/20/13/613372013.db2.gz BFIXZLKVQFJUOF-SNVBAGLBSA-N 1 2 283.759 1.786 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnsn2)C1 ZINC000969330719 613372523 /nfs/dbraw/zinc/37/25/23/613372523.db2.gz WOJSDYZJSSUHME-QMMMGPOBSA-N 1 2 286.788 1.341 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)c2cccc(=O)[nH]2)CC1 ZINC000980902196 613373968 /nfs/dbraw/zinc/37/39/68/613373968.db2.gz HJDHVWWBXOIAMU-UHFFFAOYSA-N 1 2 295.770 1.688 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)c2cccc(=O)[nH]2)CC1 ZINC000980902196 613373969 /nfs/dbraw/zinc/37/39/69/613373969.db2.gz HJDHVWWBXOIAMU-UHFFFAOYSA-N 1 2 295.770 1.688 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cccn2)C1 ZINC000965152909 613375616 /nfs/dbraw/zinc/37/56/16/613375616.db2.gz PQSZJWRPOKPPOL-YPMHNXCESA-N 1 2 296.802 1.462 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cccn2)C1 ZINC000965152909 613375617 /nfs/dbraw/zinc/37/56/17/613375617.db2.gz PQSZJWRPOKPPOL-YPMHNXCESA-N 1 2 296.802 1.462 20 30 CDEDLO O=C(NCC#C[C@@H]1CCCCO1)[C@H]1CCn2c[nH+]cc2C1 ZINC000891124018 617367870 /nfs/dbraw/zinc/36/78/70/617367870.db2.gz HCTGAJOGLHZIGI-ZFWWWQNUSA-N 1 2 287.363 1.134 20 30 CDEDLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc(C#N)cc1OC ZINC000933216188 617375795 /nfs/dbraw/zinc/37/57/95/617375795.db2.gz FWXOUARIEFKKDZ-CQSZACIVSA-N 1 2 287.363 1.667 20 30 CDEDLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccc(C#N)cc1OC ZINC000933216188 617375796 /nfs/dbraw/zinc/37/57/96/617375796.db2.gz FWXOUARIEFKKDZ-CQSZACIVSA-N 1 2 287.363 1.667 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C3CC3)C2)C1 ZINC000972324233 613571120 /nfs/dbraw/zinc/57/11/20/613571120.db2.gz NMAMVBVVMAWSKX-RHSMWYFYSA-N 1 2 290.407 1.359 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C3CC3)C2)C1 ZINC000972324233 613571123 /nfs/dbraw/zinc/57/11/23/613571123.db2.gz NMAMVBVVMAWSKX-RHSMWYFYSA-N 1 2 290.407 1.359 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC#C[C@@H]1CCCCO1 ZINC000891115289 617365299 /nfs/dbraw/zinc/36/52/99/617365299.db2.gz FEBJBLLXNALOSI-OCCSQVGLSA-N 1 2 275.352 1.277 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC#C[C@@H]1CCCCO1 ZINC000891115289 617365300 /nfs/dbraw/zinc/36/53/00/617365300.db2.gz FEBJBLLXNALOSI-OCCSQVGLSA-N 1 2 275.352 1.277 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnns2)C1 ZINC000965290410 613592546 /nfs/dbraw/zinc/59/25/46/613592546.db2.gz IOIHNDRYRVAWBM-QWRGUYRKSA-N 1 2 278.381 1.002 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnns2)C1 ZINC000965290410 613592548 /nfs/dbraw/zinc/59/25/48/613592548.db2.gz IOIHNDRYRVAWBM-QWRGUYRKSA-N 1 2 278.381 1.002 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCOCC2)C1 ZINC000949985882 613653539 /nfs/dbraw/zinc/65/35/39/613653539.db2.gz NJHMVJILVDGBOX-CYBMUJFWSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)c2cccnc2)CC1 ZINC000957365154 613710415 /nfs/dbraw/zinc/71/04/15/613710415.db2.gz AMGBQUPBEUESOS-ZDUSSCGKSA-N 1 2 259.353 1.515 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)[C@H]2CCCO2)CC1 ZINC000950360660 613712102 /nfs/dbraw/zinc/71/21/02/613712102.db2.gz QEIJCSCGKYMAQN-CHWSQXEVSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2C[C@@H](C)Cc3cn[nH]c32)CC1 ZINC000949837654 613713634 /nfs/dbraw/zinc/71/36/34/613713634.db2.gz SGTBWSIADUSTNC-JSGCOSHPSA-N 1 2 288.395 1.406 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C3CC3)nn2C)CC1 ZINC000948592641 613715164 /nfs/dbraw/zinc/71/51/64/613715164.db2.gz NGOJSYFDMPWVFG-UHFFFAOYSA-N 1 2 274.368 1.241 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cn(C)nc2C2CC2)CC1 ZINC000948557855 613717568 /nfs/dbraw/zinc/71/75/68/613717568.db2.gz JCQIHRZQHSQLTD-UHFFFAOYSA-N 1 2 274.368 1.241 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cncc3[nH]ccc32)CC1 ZINC000949099175 613718298 /nfs/dbraw/zinc/71/82/98/613718298.db2.gz ACWAXRONTQQOTJ-UHFFFAOYSA-N 1 2 270.336 1.507 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2csc3cncn32)CC1 ZINC000951123595 613718705 /nfs/dbraw/zinc/71/87/05/613718705.db2.gz ZDRVLJNBVFIDHO-UHFFFAOYSA-N 1 2 276.365 1.340 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)CC)C2)C1 ZINC000972269421 613723586 /nfs/dbraw/zinc/72/35/86/613723586.db2.gz NCRUQLMGNLXOAI-HIFRSBDPSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)CC)C2)C1 ZINC000972269421 613723589 /nfs/dbraw/zinc/72/35/89/613723589.db2.gz NCRUQLMGNLXOAI-HIFRSBDPSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)CC)C2)C1 ZINC000972524630 613725038 /nfs/dbraw/zinc/72/50/38/613725038.db2.gz ULZVGGLSDFVIMT-MRXNPFEDSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)CC)C2)C1 ZINC000972524630 613725042 /nfs/dbraw/zinc/72/50/42/613725042.db2.gz ULZVGGLSDFVIMT-MRXNPFEDSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cscn3)C2)C1 ZINC000972282517 613727425 /nfs/dbraw/zinc/72/74/25/613727425.db2.gz RPVISSRYJAWSHD-CQSZACIVSA-N 1 2 293.392 1.246 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cscn3)C2)C1 ZINC000972282517 613727427 /nfs/dbraw/zinc/72/74/27/613727427.db2.gz RPVISSRYJAWSHD-CQSZACIVSA-N 1 2 293.392 1.246 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccccc1O[C@H](C)C(=O)OC ZINC000892058924 617451547 /nfs/dbraw/zinc/45/15/47/617451547.db2.gz NQWXTMHKZHALAU-CQSZACIVSA-N 1 2 285.343 1.695 20 30 CDEDLO CN(CC#N)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000971927188 616041716 /nfs/dbraw/zinc/04/17/16/616041716.db2.gz DIVHHUHAFOSHCB-LBPRGKRZSA-N 1 2 283.335 1.004 20 30 CDEDLO Cc1nn(C(C)C)c(C)c1C[NH+]1CCN(CC#N)CC1 ZINC000891902078 617744306 /nfs/dbraw/zinc/74/43/06/617744306.db2.gz NHSYIOOJPZPDQO-UHFFFAOYSA-N 1 2 275.400 1.722 20 30 CDEDLO CC[C@@H](C(=O)N1CCC[C@@H](C#N)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000928218570 618573159 /nfs/dbraw/zinc/57/31/59/618573159.db2.gz WOGGGCMMBFRRRM-ZNMIVQPWSA-N 1 2 293.411 1.638 20 30 CDEDLO CC[C@@H](C(=O)N1CCC[C@@H](C#N)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000928218570 618573166 /nfs/dbraw/zinc/57/31/66/618573166.db2.gz WOGGGCMMBFRRRM-ZNMIVQPWSA-N 1 2 293.411 1.638 20 30 CDEDLO C#CCSCC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000895628970 619770414 /nfs/dbraw/zinc/77/04/14/619770414.db2.gz DJADFVCDSGSFHH-UHFFFAOYSA-N 1 2 277.393 1.245 20 30 CDEDLO C[N@@H+]1CC[C@H]1CNc1ncc(C#N)cc1Br ZINC000895767903 619834373 /nfs/dbraw/zinc/83/43/73/619834373.db2.gz UDWSTOPAJHRIGQ-VIFPVBQESA-N 1 2 281.157 1.832 20 30 CDEDLO C[N@H+]1CC[C@H]1CNc1ncc(C#N)cc1Br ZINC000895767903 619834375 /nfs/dbraw/zinc/83/43/75/619834375.db2.gz UDWSTOPAJHRIGQ-VIFPVBQESA-N 1 2 281.157 1.832 20 30 CDEDLO C#CC[N@H+](Cc1cn(C[C@H]2CCCO2)nn1)C(C)C ZINC000897171214 620402696 /nfs/dbraw/zinc/40/26/96/620402696.db2.gz SMWBLERQUAJWIQ-CQSZACIVSA-N 1 2 262.357 1.301 20 30 CDEDLO C#CC[N@@H+](Cc1cn(C[C@H]2CCCO2)nn1)C(C)C ZINC000897171214 620402698 /nfs/dbraw/zinc/40/26/98/620402698.db2.gz SMWBLERQUAJWIQ-CQSZACIVSA-N 1 2 262.357 1.301 20 30 CDEDLO C[C@H](C#N)OCC[N@H+](C)Cc1nnc2ccccn21 ZINC000801926845 625166009 /nfs/dbraw/zinc/16/60/09/625166009.db2.gz XETSPGKGKRXWOK-LLVKDONJSA-N 1 2 259.313 1.090 20 30 CDEDLO C[C@H](C#N)OCC[N@@H+](C)Cc1nnc2ccccn21 ZINC000801926845 625166015 /nfs/dbraw/zinc/16/60/15/625166015.db2.gz XETSPGKGKRXWOK-LLVKDONJSA-N 1 2 259.313 1.090 20 30 CDEDLO C=C(C)CNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000907520463 627712959 /nfs/dbraw/zinc/71/29/59/627712959.db2.gz CENSCHNBIUMGOQ-UHFFFAOYSA-N 1 2 277.368 1.126 20 30 CDEDLO C#C[C@@](C)(CC)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000908529199 628246183 /nfs/dbraw/zinc/24/61/83/628246183.db2.gz KHIFLDGYBZOKOP-ZFWWWQNUSA-N 1 2 274.368 1.708 20 30 CDEDLO C#C[C@@](C)(CC)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000908529199 628246186 /nfs/dbraw/zinc/24/61/86/628246186.db2.gz KHIFLDGYBZOKOP-ZFWWWQNUSA-N 1 2 274.368 1.708 20 30 CDEDLO C#CCCCc1nnc(N2CC[NH+](CC#C)CC2)n1CC=C ZINC000908721722 628340495 /nfs/dbraw/zinc/34/04/95/628340495.db2.gz WFGJYGYJJCHRRU-UHFFFAOYSA-N 1 2 297.406 1.175 20 30 CDEDLO O=C1COc2c[nH+]c(NCC#Cc3ccccc3)cc2N1 ZINC001170424373 1162384358 /nfs/dbraw/zinc/38/43/58/1162384358.db2.gz YJDDVDSCKCDNMB-UHFFFAOYSA-N 1 2 279.299 1.876 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCOC1 ZINC001027781141 1159726767 /nfs/dbraw/zinc/72/67/67/1159726767.db2.gz FFBBTWOESNSRAQ-RYUDHWBXSA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCOC1 ZINC001027781141 1159726769 /nfs/dbraw/zinc/72/67/69/1159726769.db2.gz FFBBTWOESNSRAQ-RYUDHWBXSA-N 1 2 272.776 1.356 20 30 CDEDLO C#CC[N@@H+](C)CCN(C)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001753866238 1159932369 /nfs/dbraw/zinc/93/23/69/1159932369.db2.gz ARMUKCAAFXJWOI-UHFFFAOYSA-N 1 2 297.362 1.109 20 30 CDEDLO C#CC[N@H+](C)CCN(C)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001753866238 1159932373 /nfs/dbraw/zinc/93/23/73/1159932373.db2.gz ARMUKCAAFXJWOI-UHFFFAOYSA-N 1 2 297.362 1.109 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC001031372702 1161208219 /nfs/dbraw/zinc/20/82/19/1161208219.db2.gz ODUBOVMAMYZART-UHFFFAOYSA-N 1 2 296.414 1.932 20 30 CDEDLO Cc1nc(N[C@H](C)[C@H](C)NC(=O)C#CC(C)C)cc[nH+]1 ZINC001113028856 1162076527 /nfs/dbraw/zinc/07/65/27/1162076527.db2.gz KXATWSCTRTUGFC-NEPJUHHUSA-N 1 2 274.368 1.750 20 30 CDEDLO C[C@@H](Nc1ncccc1C#N)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001113154998 1162115908 /nfs/dbraw/zinc/11/59/08/1162115908.db2.gz LGIGOCBZYFGQQY-WDEREUQCSA-N 1 2 298.350 1.224 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001113232413 1162134106 /nfs/dbraw/zinc/13/41/06/1162134106.db2.gz PBYFCXFMFODCGR-KBPBESRZSA-N 1 2 290.411 1.523 20 30 CDEDLO Cc1nc(N(C)[C@H](C)CNC(=O)C#CC(C)C)cc[nH+]1 ZINC001113598477 1162235160 /nfs/dbraw/zinc/23/51/60/1162235160.db2.gz KLOQJJRGETXQAU-GFCCVEGCSA-N 1 2 274.368 1.385 20 30 CDEDLO C=C(Cl)CN1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001113721777 1162267059 /nfs/dbraw/zinc/26/70/59/1162267059.db2.gz AYDYZWABDXLWRT-UHFFFAOYSA-N 1 2 296.802 1.560 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C(C)(F)F)C1 ZINC001149048208 1164543302 /nfs/dbraw/zinc/54/33/02/1164543302.db2.gz ZMRFQCOGZOVBLI-SNVBAGLBSA-N 1 2 296.745 1.601 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C(C)(F)F)C1 ZINC001149048208 1164543308 /nfs/dbraw/zinc/54/33/08/1164543308.db2.gz ZMRFQCOGZOVBLI-SNVBAGLBSA-N 1 2 296.745 1.601 20 30 CDEDLO CCNC(=O)Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001202536666 1165516837 /nfs/dbraw/zinc/51/68/37/1165516837.db2.gz NBOTUAOSGJQWDV-UHFFFAOYSA-N 1 2 264.354 1.749 20 30 CDEDLO CCNC(=O)Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001202536666 1165516841 /nfs/dbraw/zinc/51/68/41/1165516841.db2.gz NBOTUAOSGJQWDV-UHFFFAOYSA-N 1 2 264.354 1.749 20 30 CDEDLO CN1CC[NH+](Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC000019367559 1165654954 /nfs/dbraw/zinc/65/49/54/1165654954.db2.gz PVNWVAMWFWITOQ-UHFFFAOYSA-N 1 2 254.337 1.787 20 30 CDEDLO CCc1[nH]c(CNC(=O)c2cc(C#N)ccn2)c[nH+]1 ZINC001645215731 1167377106 /nfs/dbraw/zinc/37/71/06/1167377106.db2.gz YTZWPWYAHNAJHQ-UHFFFAOYSA-N 1 2 255.281 1.169 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3cccc(CC#N)n3)CC2)on1 ZINC001649723315 1169309610 /nfs/dbraw/zinc/30/96/10/1169309610.db2.gz LABZXTWTPKHTGE-UHFFFAOYSA-N 1 2 297.362 1.766 20 30 CDEDLO C=CC[N@@H+](CC(C)=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588628358 1173090209 /nfs/dbraw/zinc/09/02/09/1173090209.db2.gz VPMMOAOWLZYSEV-UHFFFAOYSA-N 1 2 271.324 1.444 20 30 CDEDLO C=CC[N@H+](CC(C)=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588628358 1173090214 /nfs/dbraw/zinc/09/02/14/1173090214.db2.gz VPMMOAOWLZYSEV-UHFFFAOYSA-N 1 2 271.324 1.444 20 30 CDEDLO C=CC[N@@H+](C)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC001588625886 1173090960 /nfs/dbraw/zinc/09/09/60/1173090960.db2.gz ANENYXVDRDPCJZ-UHFFFAOYSA-N 1 2 297.322 1.535 20 30 CDEDLO C=CC[N@H+](C)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC001588625886 1173090965 /nfs/dbraw/zinc/09/09/65/1173090965.db2.gz ANENYXVDRDPCJZ-UHFFFAOYSA-N 1 2 297.322 1.535 20 30 CDEDLO N#Cc1cccc(-c2nn[nH]n2)c1NCCCn1cc[nH+]c1 ZINC001592699518 1173975573 /nfs/dbraw/zinc/97/55/73/1173975573.db2.gz COBXDPFCCSTHFS-UHFFFAOYSA-N 1 2 294.322 1.437 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCOC1 ZINC001715515774 1179692592 /nfs/dbraw/zinc/69/25/92/1179692592.db2.gz QHEGERYMIYOKKJ-NSHDSACASA-N 1 2 260.765 1.166 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H]1CCOC1 ZINC001715515774 1179692594 /nfs/dbraw/zinc/69/25/94/1179692594.db2.gz QHEGERYMIYOKKJ-NSHDSACASA-N 1 2 260.765 1.166 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000244202037 1180591428 /nfs/dbraw/zinc/59/14/28/1180591428.db2.gz VPGKATIXTZXDFV-UHFFFAOYSA-N 1 2 289.335 1.751 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)CCc2ccc(OC)nc2)C1 ZINC001753383147 1184523151 /nfs/dbraw/zinc/52/31/51/1184523151.db2.gz UAZSTYSRYTVPRS-UHFFFAOYSA-N 1 2 275.352 1.009 20 30 CDEDLO C=C1CCC(C(=O)NCCC[N@@H+](C)Cc2cnon2)CC1 ZINC001752056830 1184812541 /nfs/dbraw/zinc/81/25/41/1184812541.db2.gz XUNOSPAISRYIKI-UHFFFAOYSA-N 1 2 292.383 1.754 20 30 CDEDLO C=C1CCC(C(=O)NCCC[N@H+](C)Cc2cnon2)CC1 ZINC001752056830 1184812547 /nfs/dbraw/zinc/81/25/47/1184812547.db2.gz XUNOSPAISRYIKI-UHFFFAOYSA-N 1 2 292.383 1.754 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@@H+](CC)Cc1snnc1C ZINC001753090768 1185054294 /nfs/dbraw/zinc/05/42/94/1185054294.db2.gz XAFMJEOAOQUYHC-UHFFFAOYSA-N 1 2 296.440 1.997 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@H+](CC)Cc1snnc1C ZINC001753090768 1185054301 /nfs/dbraw/zinc/05/43/01/1185054301.db2.gz XAFMJEOAOQUYHC-UHFFFAOYSA-N 1 2 296.440 1.997 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C)Oc2ccccn2)C1 ZINC001754584758 1185675113 /nfs/dbraw/zinc/67/51/13/1185675113.db2.gz NDAKDYCUGONODE-ZDUSSCGKSA-N 1 2 289.379 1.568 20 30 CDEDLO C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)C#CC1CC1 ZINC001754967480 1185773132 /nfs/dbraw/zinc/77/31/32/1185773132.db2.gz IYVZXEIVLAWGKS-OAHLLOKOSA-N 1 2 276.380 1.183 20 30 CDEDLO C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)C#CC1CC1 ZINC001754967480 1185773137 /nfs/dbraw/zinc/77/31/37/1185773137.db2.gz IYVZXEIVLAWGKS-OAHLLOKOSA-N 1 2 276.380 1.183 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnnc(C)c2)C1 ZINC001042656514 729324481 /nfs/dbraw/zinc/32/44/81/729324481.db2.gz KUMDTBAQHOBCHK-UHFFFAOYSA-N 1 2 260.341 1.117 20 30 CDEDLO C=CC[NH+]1CCN(c2nc3nc[nH]c3cc2Cl)CC1 ZINC001165031970 721868107 /nfs/dbraw/zinc/86/81/07/721868107.db2.gz FOJNVMFPNZEAMP-UHFFFAOYSA-N 1 2 277.759 1.919 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001019332146 728767940 /nfs/dbraw/zinc/76/79/40/728767940.db2.gz LCYAORALSIUKQR-SMDDNHRTSA-N 1 2 294.424 1.831 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC001010624022 728769490 /nfs/dbraw/zinc/76/94/90/728769490.db2.gz DSBYQPIHWRSTBN-RYUDHWBXSA-N 1 2 272.776 1.499 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC001010624022 728769491 /nfs/dbraw/zinc/76/94/91/728769491.db2.gz DSBYQPIHWRSTBN-RYUDHWBXSA-N 1 2 272.776 1.499 20 30 CDEDLO C#CCO[C@H](C)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000827557113 728791515 /nfs/dbraw/zinc/79/15/15/728791515.db2.gz HQJAYIOFDKQNNW-LLVKDONJSA-N 1 2 261.325 1.433 20 30 CDEDLO C=C(C)CN(CC)C(=O)CN1CCc2c([nH+]cn2CC)C1 ZINC000933264641 728800804 /nfs/dbraw/zinc/80/08/04/728800804.db2.gz XZIBXLXOQCIRJS-UHFFFAOYSA-N 1 2 290.411 1.686 20 30 CDEDLO C#CC[N@H+]1CC[C@](C)(NC(=O)c2cnc(COC)s2)C1 ZINC001046874116 728806552 /nfs/dbraw/zinc/80/65/52/728806552.db2.gz RBICDQLDXXBXRG-AWEZNQCLSA-N 1 2 293.392 1.117 20 30 CDEDLO C#CC[N@@H+]1CC[C@](C)(NC(=O)c2cnc(COC)s2)C1 ZINC001046874116 728806553 /nfs/dbraw/zinc/80/65/53/728806553.db2.gz RBICDQLDXXBXRG-AWEZNQCLSA-N 1 2 293.392 1.117 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(OC)cc1 ZINC001038960859 728812219 /nfs/dbraw/zinc/81/22/19/728812219.db2.gz QVOFUMYUPFHBKW-ZDUSSCGKSA-N 1 2 258.321 1.133 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OC)cc1 ZINC001038960859 728812222 /nfs/dbraw/zinc/81/22/22/728812222.db2.gz QVOFUMYUPFHBKW-ZDUSSCGKSA-N 1 2 258.321 1.133 20 30 CDEDLO N#Cc1ccc(CCNC(=O)/C=C\C[NH+]2CCOCC2)cc1 ZINC000869229223 728813585 /nfs/dbraw/zinc/81/35/85/728813585.db2.gz UMURGRAWFVFYKU-UPHRSURJSA-N 1 2 299.374 1.105 20 30 CDEDLO N#C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCN1C1CC1 ZINC000932602522 728818534 /nfs/dbraw/zinc/81/85/34/728818534.db2.gz YGGDRYZAGJUVIB-ZDUSSCGKSA-N 1 2 295.346 1.375 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](F)c1ccccc1 ZINC001032652914 728821025 /nfs/dbraw/zinc/82/10/25/728821025.db2.gz GDCSUSUFNSMVCU-SOUVJXGZSA-N 1 2 272.323 1.616 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](F)c1ccccc1 ZINC001032652914 728821026 /nfs/dbraw/zinc/82/10/26/728821026.db2.gz GDCSUSUFNSMVCU-SOUVJXGZSA-N 1 2 272.323 1.616 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC1(C)C)CO2 ZINC001053781204 728821400 /nfs/dbraw/zinc/82/14/00/728821400.db2.gz GAKNGMIMDLUKAW-CHWSQXEVSA-N 1 2 276.380 1.015 20 30 CDEDLO CCCCc1nc(CO[NH+]=C(N)CCO)cs1 ZINC000136065744 728822798 /nfs/dbraw/zinc/82/27/98/728822798.db2.gz OHCTYKQVPBOQBX-UHFFFAOYSA-N 1 2 257.359 1.657 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CO[C@H](C)C3)cc2C1 ZINC001054271405 728825782 /nfs/dbraw/zinc/82/57/82/728825782.db2.gz NLYQWNNRAVIHSP-DYVFJYSZSA-N 1 2 298.386 1.677 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CO[C@H](C)C3)cc2C1 ZINC001054271405 728825785 /nfs/dbraw/zinc/82/57/85/728825785.db2.gz NLYQWNNRAVIHSP-DYVFJYSZSA-N 1 2 298.386 1.677 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ocnc1C ZINC001027812055 728828277 /nfs/dbraw/zinc/82/82/77/728828277.db2.gz CTCZHWOSAYUYFJ-NSHDSACASA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ocnc1C ZINC001027812055 728828279 /nfs/dbraw/zinc/82/82/79/728828279.db2.gz CTCZHWOSAYUYFJ-NSHDSACASA-N 1 2 283.759 1.930 20 30 CDEDLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1F ZINC001029180355 728853932 /nfs/dbraw/zinc/85/39/32/728853932.db2.gz KIZHXWVVOWDNDJ-GASCZTMLSA-N 1 2 287.338 1.892 20 30 CDEDLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1F ZINC001029180355 728853935 /nfs/dbraw/zinc/85/39/35/728853935.db2.gz KIZHXWVVOWDNDJ-GASCZTMLSA-N 1 2 287.338 1.892 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(CC)n1 ZINC001032367364 728890607 /nfs/dbraw/zinc/89/06/07/728890607.db2.gz UZFAEQRSJBDETF-RYUDHWBXSA-N 1 2 273.336 1.159 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(CC)n1 ZINC001032367364 728890608 /nfs/dbraw/zinc/89/06/08/728890608.db2.gz UZFAEQRSJBDETF-RYUDHWBXSA-N 1 2 273.336 1.159 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001031170433 728896328 /nfs/dbraw/zinc/89/63/28/728896328.db2.gz JFPJCBUTHJMUAM-UHFFFAOYSA-N 1 2 257.337 1.329 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1C(F)F ZINC001032423499 728899292 /nfs/dbraw/zinc/89/92/92/728899292.db2.gz PPTNNPZSGUVQFJ-QWRGUYRKSA-N 1 2 294.305 1.200 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1C(F)F ZINC001032423499 728899294 /nfs/dbraw/zinc/89/92/94/728899294.db2.gz PPTNNPZSGUVQFJ-QWRGUYRKSA-N 1 2 294.305 1.200 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2ccn[nH]2)CC1 ZINC001000469945 728918706 /nfs/dbraw/zinc/91/87/06/728918706.db2.gz LBHZCTRHEDGFNW-UHFFFAOYSA-N 1 2 280.759 1.524 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2ccn[nH]2)CC1 ZINC001000469945 728918714 /nfs/dbraw/zinc/91/87/14/728918714.db2.gz LBHZCTRHEDGFNW-UHFFFAOYSA-N 1 2 280.759 1.524 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1onc2c1CCCC2 ZINC001038508768 728938758 /nfs/dbraw/zinc/93/87/58/728938758.db2.gz RHNVJJMAHGCEQM-NSHDSACASA-N 1 2 275.352 1.544 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1onc2c1CCCC2 ZINC001038508768 728938760 /nfs/dbraw/zinc/93/87/60/728938760.db2.gz RHNVJJMAHGCEQM-NSHDSACASA-N 1 2 275.352 1.544 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)c3nnc[nH]3)CCC[C@@H]12 ZINC000992334203 728945634 /nfs/dbraw/zinc/94/56/34/728945634.db2.gz UPVBXOYZEWYSTA-ZWNOBZJWSA-N 1 2 295.774 1.284 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)c3nnc[nH]3)CCC[C@@H]12 ZINC000992334203 728945640 /nfs/dbraw/zinc/94/56/40/728945640.db2.gz UPVBXOYZEWYSTA-ZWNOBZJWSA-N 1 2 295.774 1.284 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1ccccc1CC#N ZINC000777306050 728388999 /nfs/dbraw/zinc/38/89/99/728388999.db2.gz XTPWHWYXFVQKLM-ZDUSSCGKSA-N 1 2 282.347 1.697 20 30 CDEDLO Clc1ccc(N=NCc2c[nH+]c3n2CCC3)nn1 ZINC000853259879 728393002 /nfs/dbraw/zinc/39/30/02/728393002.db2.gz VOLHOCKXZMEOLE-UHFFFAOYSA-N 1 2 262.704 1.719 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1F ZINC001017304295 728409012 /nfs/dbraw/zinc/40/90/12/728409012.db2.gz ISBJCHRJCDQTMB-BETUJISGSA-N 1 2 272.323 1.748 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1F ZINC001017304295 728409016 /nfs/dbraw/zinc/40/90/16/728409016.db2.gz ISBJCHRJCDQTMB-BETUJISGSA-N 1 2 272.323 1.748 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCCO3)cc2C1 ZINC001054254649 728416432 /nfs/dbraw/zinc/41/64/32/728416432.db2.gz DCVOFTIGBIYZKR-MRXNPFEDSA-N 1 2 284.359 1.431 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCCO3)cc2C1 ZINC001054254649 728416440 /nfs/dbraw/zinc/41/64/40/728416440.db2.gz DCVOFTIGBIYZKR-MRXNPFEDSA-N 1 2 284.359 1.431 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2coc(C3CC3)n2)C1 ZINC001044013958 728436431 /nfs/dbraw/zinc/43/64/31/728436431.db2.gz BXGKKNZEMFTYNY-UHFFFAOYSA-N 1 2 273.336 1.332 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1COc2cc(C)c(C)cc21 ZINC001038557349 728439232 /nfs/dbraw/zinc/43/92/32/728439232.db2.gz DIAFIFLKLQBLON-GDBMZVCRSA-N 1 2 298.386 1.603 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1COc2cc(C)c(C)cc21 ZINC001038557349 728439234 /nfs/dbraw/zinc/43/92/34/728439234.db2.gz DIAFIFLKLQBLON-GDBMZVCRSA-N 1 2 298.386 1.603 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CC[C@H]2CC2(Cl)Cl)nn1 ZINC000849153550 728451258 /nfs/dbraw/zinc/45/12/58/728451258.db2.gz APHASIXRUAURCN-JTQLQIEISA-N 1 2 287.194 1.975 20 30 CDEDLO C#CC[C@@H](CCOC)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000858856385 728459375 /nfs/dbraw/zinc/45/93/75/728459375.db2.gz DHAIQNSHTIZFPY-ZDUSSCGKSA-N 1 2 290.367 1.154 20 30 CDEDLO C#CC[C@@H](CCOC)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000858856385 728459377 /nfs/dbraw/zinc/45/93/77/728459377.db2.gz DHAIQNSHTIZFPY-ZDUSSCGKSA-N 1 2 290.367 1.154 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Cc1ccco1 ZINC001032677218 728497799 /nfs/dbraw/zinc/49/77/99/728497799.db2.gz WZJZFGWWMYMNKI-KKUMJFAQSA-N 1 2 286.375 1.767 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Cc1ccco1 ZINC001032677218 728497804 /nfs/dbraw/zinc/49/78/04/728497804.db2.gz WZJZFGWWMYMNKI-KKUMJFAQSA-N 1 2 286.375 1.767 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(F)F)CCC1 ZINC001017845146 728523906 /nfs/dbraw/zinc/52/39/06/728523906.db2.gz WKRYRQDCNWKTFD-TXEJJXNPSA-N 1 2 282.334 1.730 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(F)F)CCC1 ZINC001017845146 728523908 /nfs/dbraw/zinc/52/39/08/728523908.db2.gz WKRYRQDCNWKTFD-TXEJJXNPSA-N 1 2 282.334 1.730 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000775350953 728533439 /nfs/dbraw/zinc/53/34/39/728533439.db2.gz FJGAKLHHLOLTNQ-GFCCVEGCSA-N 1 2 292.383 1.762 20 30 CDEDLO CC[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1nccn1C ZINC000783299813 728557119 /nfs/dbraw/zinc/55/71/19/728557119.db2.gz FYUYZSZEHGRKQZ-CYBMUJFWSA-N 1 2 255.325 1.928 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cnoc2)C1 ZINC001033356102 728560079 /nfs/dbraw/zinc/56/00/79/728560079.db2.gz KGSMBRXHKZVBQW-GFCCVEGCSA-N 1 2 283.759 1.502 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cnoc2)C1 ZINC001033356102 728560081 /nfs/dbraw/zinc/56/00/81/728560081.db2.gz KGSMBRXHKZVBQW-GFCCVEGCSA-N 1 2 283.759 1.502 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(F)cc2)C1 ZINC001035266476 728577905 /nfs/dbraw/zinc/57/79/05/728577905.db2.gz KKIJLSLMEVASPU-HNNXBMFYSA-N 1 2 292.354 1.832 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(F)cc2)C1 ZINC001035266476 728577914 /nfs/dbraw/zinc/57/79/14/728577914.db2.gz KKIJLSLMEVASPU-HNNXBMFYSA-N 1 2 292.354 1.832 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2csc(CC)n2)C1 ZINC001044330571 728952434 /nfs/dbraw/zinc/95/24/34/728952434.db2.gz FPUYHEAWECKNPA-UHFFFAOYSA-N 1 2 293.436 1.967 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccnc1OCC ZINC001038983849 729031598 /nfs/dbraw/zinc/03/15/98/729031598.db2.gz XBNSMZMPVNCXTO-ZDUSSCGKSA-N 1 2 287.363 1.308 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccnc1OCC ZINC001038983849 729031601 /nfs/dbraw/zinc/03/16/01/729031601.db2.gz XBNSMZMPVNCXTO-ZDUSSCGKSA-N 1 2 287.363 1.308 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cc(C#N)ccc1F ZINC000847530013 729045737 /nfs/dbraw/zinc/04/57/37/729045737.db2.gz XCCBBKKSICKCRS-JTQLQIEISA-N 1 2 286.310 1.915 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cc(C#N)ccc1F ZINC000847530013 729045740 /nfs/dbraw/zinc/04/57/40/729045740.db2.gz XCCBBKKSICKCRS-JTQLQIEISA-N 1 2 286.310 1.915 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CCC)CC1CC1 ZINC000884048860 729047824 /nfs/dbraw/zinc/04/78/24/729047824.db2.gz YHOOOVHVLYEVMI-LBPRGKRZSA-N 1 2 268.357 1.082 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(C(F)(F)F)n1 ZINC001038460086 729067324 /nfs/dbraw/zinc/06/73/24/729067324.db2.gz FLPXFWKCTSLPGO-MRVPVSSYSA-N 1 2 289.257 1.684 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(C(F)(F)F)n1 ZINC001038460086 729067329 /nfs/dbraw/zinc/06/73/29/729067329.db2.gz FLPXFWKCTSLPGO-MRVPVSSYSA-N 1 2 289.257 1.684 20 30 CDEDLO CC(=O)N1CCC[N@H+](Cc2cncc(C#N)c2)CC1 ZINC000721556272 729068142 /nfs/dbraw/zinc/06/81/42/729068142.db2.gz BQHYYMPULZDBAH-UHFFFAOYSA-N 1 2 258.325 1.007 20 30 CDEDLO CC(=O)N1CCC[N@@H+](Cc2cncc(C#N)c2)CC1 ZINC000721556272 729068147 /nfs/dbraw/zinc/06/81/47/729068147.db2.gz BQHYYMPULZDBAH-UHFFFAOYSA-N 1 2 258.325 1.007 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2Cc3ccccc32)C1 ZINC001030880066 729070445 /nfs/dbraw/zinc/07/04/45/729070445.db2.gz CGVDAZSTRSYLHZ-HNNXBMFYSA-N 1 2 254.333 1.150 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2cc(-c3cccnc3)on2)C1 ZINC001030877054 729098418 /nfs/dbraw/zinc/09/84/18/729098418.db2.gz GYIIERFDECAXEZ-UHFFFAOYSA-N 1 2 298.346 1.727 20 30 CDEDLO C#C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000843968665 729102791 /nfs/dbraw/zinc/10/27/91/729102791.db2.gz YTFLQRSRHAEEBJ-LSDHHAIUSA-N 1 2 279.343 1.936 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C2CC3(C2)CCOCC3)C1 ZINC001031252986 729103128 /nfs/dbraw/zinc/10/31/28/729103128.db2.gz MLJPQVBOUZNMRI-UHFFFAOYSA-N 1 2 278.396 1.570 20 30 CDEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)/C(C)=C/C)C2)CC1 ZINC001052008087 729116931 /nfs/dbraw/zinc/11/69/31/729116931.db2.gz CMAQWAZXKOVORV-UZPPOTPCSA-N 1 2 289.423 1.194 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C3CC3)n(C)n2)C1 ZINC001042855380 729162902 /nfs/dbraw/zinc/16/29/02/729162902.db2.gz VHRHWPWWTRQIPM-UHFFFAOYSA-N 1 2 288.395 1.630 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2Cc3ccccc32)C1 ZINC001035502388 729172386 /nfs/dbraw/zinc/17/23/86/729172386.db2.gz OGEJCUUAGQLTSM-ZBFHGGJFSA-N 1 2 286.375 1.329 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2Cc3ccccc32)C1 ZINC001035502388 729172387 /nfs/dbraw/zinc/17/23/87/729172387.db2.gz OGEJCUUAGQLTSM-ZBFHGGJFSA-N 1 2 286.375 1.329 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccccc2OCC=C)C1 ZINC001030542017 729194841 /nfs/dbraw/zinc/19/48/41/729194841.db2.gz JOKVGWGPYHDMKU-UHFFFAOYSA-N 1 2 284.359 1.689 20 30 CDEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C)s2)C1 ZINC001047285639 729239751 /nfs/dbraw/zinc/23/97/51/729239751.db2.gz KGNIEFCSDIXWFT-STQMWFEESA-N 1 2 292.404 1.197 20 30 CDEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C)s2)C1 ZINC001047285639 729239752 /nfs/dbraw/zinc/23/97/52/729239752.db2.gz KGNIEFCSDIXWFT-STQMWFEESA-N 1 2 292.404 1.197 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2sccc2F)C1 ZINC001035359180 729265003 /nfs/dbraw/zinc/26/50/03/729265003.db2.gz XOVOFKBMLWKMJV-NSHDSACASA-N 1 2 296.367 1.341 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2sccc2F)C1 ZINC001035359180 729265009 /nfs/dbraw/zinc/26/50/09/729265009.db2.gz XOVOFKBMLWKMJV-NSHDSACASA-N 1 2 296.367 1.341 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(F)c1C ZINC001038290109 729308808 /nfs/dbraw/zinc/30/88/08/729308808.db2.gz XNYBBOSWQQFJMF-ZDUSSCGKSA-N 1 2 274.339 1.962 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(F)c1C ZINC001038290109 729308809 /nfs/dbraw/zinc/30/88/09/729308809.db2.gz XNYBBOSWQQFJMF-ZDUSSCGKSA-N 1 2 274.339 1.962 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001000705856 729311231 /nfs/dbraw/zinc/31/12/31/729311231.db2.gz UDVXUEMGUKKEMG-ZFWWWQNUSA-N 1 2 296.798 1.524 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001000705856 729311233 /nfs/dbraw/zinc/31/12/33/729311233.db2.gz UDVXUEMGUKKEMG-ZFWWWQNUSA-N 1 2 296.798 1.524 20 30 CDEDLO C=C(C)C[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000997034719 729321098 /nfs/dbraw/zinc/32/10/98/729321098.db2.gz CHWJHLHBCBPXQW-UHFFFAOYSA-N 1 2 262.357 1.109 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cc1cn(-c2ccccc2)nn1 ZINC000852751760 729323177 /nfs/dbraw/zinc/32/31/77/729323177.db2.gz MLJAWTUNWPHULP-UHFFFAOYSA-N 1 2 284.363 1.739 20 30 CDEDLO C#CCC[N@H+](CCOC)Cc1cn(-c2ccccc2)nn1 ZINC000852751760 729323178 /nfs/dbraw/zinc/32/31/78/729323178.db2.gz MLJAWTUNWPHULP-UHFFFAOYSA-N 1 2 284.363 1.739 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1cnn(C)c1Cl)[C@@H]1CCCO1 ZINC000815135437 729326856 /nfs/dbraw/zinc/32/68/56/729326856.db2.gz BMFCLUAJNOGQDX-MNOVXSKESA-N 1 2 253.733 1.344 20 30 CDEDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc(C#N)o2)c1 ZINC000816064124 729330265 /nfs/dbraw/zinc/33/02/65/729330265.db2.gz AGINQCPKECGHHW-UHFFFAOYSA-N 1 2 256.265 1.865 20 30 CDEDLO C=CCn1nnn(C[N@H+](CC)CC2CC2)c1=S ZINC000112200251 729332600 /nfs/dbraw/zinc/33/26/00/729332600.db2.gz WVZYTUXGPKBZNP-UHFFFAOYSA-N 1 2 253.375 1.684 20 30 CDEDLO C=CCn1nnn(C[N@@H+](CC)CC2CC2)c1=S ZINC000112200251 729332602 /nfs/dbraw/zinc/33/26/02/729332602.db2.gz WVZYTUXGPKBZNP-UHFFFAOYSA-N 1 2 253.375 1.684 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2conc2CC)C1 ZINC001035499792 729343191 /nfs/dbraw/zinc/34/31/91/729343191.db2.gz OIRGSBPEFLNTDH-GFCCVEGCSA-N 1 2 293.367 1.244 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2conc2CC)C1 ZINC001035499792 729343193 /nfs/dbraw/zinc/34/31/93/729343193.db2.gz OIRGSBPEFLNTDH-GFCCVEGCSA-N 1 2 293.367 1.244 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C)cn1 ZINC001017315945 729357289 /nfs/dbraw/zinc/35/72/89/729357289.db2.gz ATXAKPGJRQKXMM-BETUJISGSA-N 1 2 272.352 1.260 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C)cn1 ZINC001017315945 729357290 /nfs/dbraw/zinc/35/72/90/729357290.db2.gz ATXAKPGJRQKXMM-BETUJISGSA-N 1 2 272.352 1.260 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)COC2 ZINC001038803298 729366498 /nfs/dbraw/zinc/36/64/98/729366498.db2.gz ZEWJKPQQJOUDBF-HNNXBMFYSA-N 1 2 270.332 1.154 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)COC2 ZINC001038803298 729366499 /nfs/dbraw/zinc/36/64/99/729366499.db2.gz ZEWJKPQQJOUDBF-HNNXBMFYSA-N 1 2 270.332 1.154 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(OCC#C)cc2)C1 ZINC001031067280 729366501 /nfs/dbraw/zinc/36/65/01/729366501.db2.gz YHEMCSWBJODXFU-UHFFFAOYSA-N 1 2 282.343 1.136 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ncc[nH]1 ZINC001024433194 729381743 /nfs/dbraw/zinc/38/17/43/729381743.db2.gz AZPUGSMRVNXNKK-LLVKDONJSA-N 1 2 282.775 1.747 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ncc[nH]1 ZINC001024433194 729381741 /nfs/dbraw/zinc/38/17/41/729381741.db2.gz AZPUGSMRVNXNKK-LLVKDONJSA-N 1 2 282.775 1.747 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc2cccnc2s1 ZINC001038349280 729386683 /nfs/dbraw/zinc/38/66/83/729386683.db2.gz GVEDMUCQRJWHGF-SNVBAGLBSA-N 1 2 288.376 1.681 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1nc2cccnc2s1 ZINC001038349280 729386685 /nfs/dbraw/zinc/38/66/85/729386685.db2.gz GVEDMUCQRJWHGF-SNVBAGLBSA-N 1 2 288.376 1.681 20 30 CDEDLO CCc1ccc([C@H](C)NC(=O)CO[NH+]=C(N)CCO)cc1 ZINC000121342050 729391338 /nfs/dbraw/zinc/39/13/38/729391338.db2.gz KKEBAFISLRQLEF-NSHDSACASA-N 1 2 293.367 1.097 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)n(C(F)F)n1 ZINC001038295253 729393705 /nfs/dbraw/zinc/39/37/05/729393705.db2.gz FEDVJCPSGCHPGI-JTQLQIEISA-N 1 2 282.294 1.024 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)n(C(F)F)n1 ZINC001038295253 729393706 /nfs/dbraw/zinc/39/37/06/729393706.db2.gz FEDVJCPSGCHPGI-JTQLQIEISA-N 1 2 282.294 1.024 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1=S ZINC000884482842 729394431 /nfs/dbraw/zinc/39/44/31/729394431.db2.gz IQSACUCGJRNAEA-RYUDHWBXSA-N 1 2 295.412 1.453 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1=S ZINC000884482842 729394433 /nfs/dbraw/zinc/39/44/33/729394433.db2.gz IQSACUCGJRNAEA-RYUDHWBXSA-N 1 2 295.412 1.453 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@H](C)O1 ZINC001017881511 729403267 /nfs/dbraw/zinc/40/32/67/729403267.db2.gz AFQHTVJOPARHDE-XQLPTFJDSA-N 1 2 276.380 1.252 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@H](C)O1 ZINC001017881511 729403268 /nfs/dbraw/zinc/40/32/68/729403268.db2.gz AFQHTVJOPARHDE-XQLPTFJDSA-N 1 2 276.380 1.252 20 30 CDEDLO C#CC[N@H+]1CC[C@@](C)(NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001046439955 729403495 /nfs/dbraw/zinc/40/34/95/729403495.db2.gz DVQBAHITRULOBI-MRXNPFEDSA-N 1 2 286.379 1.116 20 30 CDEDLO C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001046439955 729403498 /nfs/dbraw/zinc/40/34/98/729403498.db2.gz DVQBAHITRULOBI-MRXNPFEDSA-N 1 2 286.379 1.116 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c2c1CCCC2 ZINC001032495304 729471554 /nfs/dbraw/zinc/47/15/54/729471554.db2.gz UXDDDQWLWFNPLP-STQMWFEESA-N 1 2 298.390 1.211 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c2c1CCCC2 ZINC001032495304 729471558 /nfs/dbraw/zinc/47/15/58/729471558.db2.gz UXDDDQWLWFNPLP-STQMWFEESA-N 1 2 298.390 1.211 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC=CCC1)CO2 ZINC001053735444 729477777 /nfs/dbraw/zinc/47/77/77/729477777.db2.gz GEFVSILFSBBIAV-GJZGRUSLSA-N 1 2 290.407 1.878 20 30 CDEDLO C#Cc1ccccc1CC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000811259058 729483154 /nfs/dbraw/zinc/48/31/54/729483154.db2.gz UKRGMIUSDISITM-AWEZNQCLSA-N 1 2 287.359 1.474 20 30 CDEDLO C#Cc1ccccc1CC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000811259058 729483159 /nfs/dbraw/zinc/48/31/59/729483159.db2.gz UKRGMIUSDISITM-AWEZNQCLSA-N 1 2 287.359 1.474 20 30 CDEDLO C=C1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CC(N)=O)CC1 ZINC001024633459 729490847 /nfs/dbraw/zinc/49/08/47/729490847.db2.gz JHYUDGDOCZJXBQ-CQSZACIVSA-N 1 2 293.411 1.189 20 30 CDEDLO C=C1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CC(N)=O)CC1 ZINC001024633459 729490850 /nfs/dbraw/zinc/49/08/50/729490850.db2.gz JHYUDGDOCZJXBQ-CQSZACIVSA-N 1 2 293.411 1.189 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)C1CC1)CO2 ZINC001053767810 729509177 /nfs/dbraw/zinc/50/91/77/729509177.db2.gz PEBVGZIBCUXZAP-TZMCWYRMSA-N 1 2 276.380 1.015 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnc(C)n2C)C1 ZINC001033357885 729515397 /nfs/dbraw/zinc/51/53/97/729515397.db2.gz CUECYDNTKJEKKL-GFCCVEGCSA-N 1 2 296.802 1.627 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc(C)n2C)C1 ZINC001033357885 729515402 /nfs/dbraw/zinc/51/54/02/729515402.db2.gz CUECYDNTKJEKKL-GFCCVEGCSA-N 1 2 296.802 1.627 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C2(C3CC3)CCOCC2)C1 ZINC001030739961 729540405 /nfs/dbraw/zinc/54/04/05/729540405.db2.gz XFICYCLIQMJLAN-UHFFFAOYSA-N 1 2 276.380 1.017 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3CCO[C@](C)(C#N)C3)ccn12 ZINC000887691065 729544526 /nfs/dbraw/zinc/54/45/26/729544526.db2.gz ZEQYNOZSSPCVAD-OAHLLOKOSA-N 1 2 284.319 1.397 20 30 CDEDLO CCn1ncn(N=C2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1=O ZINC000814235709 729555044 /nfs/dbraw/zinc/55/50/44/729555044.db2.gz WZMISKPFYZUYKJ-ZDUSSCGKSA-N 1 2 299.378 1.563 20 30 CDEDLO CCn1ncn(N=C2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1=O ZINC000814235709 729555050 /nfs/dbraw/zinc/55/50/50/729555050.db2.gz WZMISKPFYZUYKJ-ZDUSSCGKSA-N 1 2 299.378 1.563 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC001016383976 729559800 /nfs/dbraw/zinc/55/98/00/729559800.db2.gz LXECGOQCPZPTFQ-SECBINFHSA-N 1 2 252.314 1.325 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC001016383976 729559804 /nfs/dbraw/zinc/55/98/04/729559804.db2.gz LXECGOQCPZPTFQ-SECBINFHSA-N 1 2 252.314 1.325 20 30 CDEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)oc1C ZINC000971219127 729571808 /nfs/dbraw/zinc/57/18/08/729571808.db2.gz WTMLNGGSTTUPGS-ZWNOBZJWSA-N 1 2 290.367 1.484 20 30 CDEDLO Cc1nc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)oc1C ZINC000971219127 729571819 /nfs/dbraw/zinc/57/18/19/729571819.db2.gz WTMLNGGSTTUPGS-ZWNOBZJWSA-N 1 2 290.367 1.484 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)=C(C)C ZINC001017470054 729599322 /nfs/dbraw/zinc/59/93/22/729599322.db2.gz WLJJFMPYHCTOCG-TXEJJXNPSA-N 1 2 250.317 1.558 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)=C(C)C ZINC001017470054 729599323 /nfs/dbraw/zinc/59/93/23/729599323.db2.gz WLJJFMPYHCTOCG-TXEJJXNPSA-N 1 2 250.317 1.558 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cc2C)C1 ZINC001015680866 729600891 /nfs/dbraw/zinc/60/08/91/729600891.db2.gz LNGPGTYQJSJIOX-NSHDSACASA-N 1 2 295.770 1.652 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cc2C)C1 ZINC001015680866 729600892 /nfs/dbraw/zinc/60/08/92/729600892.db2.gz LNGPGTYQJSJIOX-NSHDSACASA-N 1 2 295.770 1.652 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC001038292883 729602206 /nfs/dbraw/zinc/60/22/06/729602206.db2.gz NCTRUXWMJZRQBT-HNNXBMFYSA-N 1 2 271.364 1.526 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC001038292883 729602211 /nfs/dbraw/zinc/60/22/11/729602211.db2.gz NCTRUXWMJZRQBT-HNNXBMFYSA-N 1 2 271.364 1.526 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccnc2C2CC2)C1 ZINC001030610018 729614239 /nfs/dbraw/zinc/61/42/39/729614239.db2.gz BQSYHUDLGMULMD-UHFFFAOYSA-N 1 2 269.348 1.396 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001032531174 729639444 /nfs/dbraw/zinc/63/94/44/729639444.db2.gz GMLBRBFLJMUSFE-JONQDZQNSA-N 1 2 288.391 1.110 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001032531174 729639447 /nfs/dbraw/zinc/63/94/47/729639447.db2.gz GMLBRBFLJMUSFE-JONQDZQNSA-N 1 2 288.391 1.110 20 30 CDEDLO CC(C)(C)n1nnc(CO[NH+]=C(N)c2ccc(F)cc2)n1 ZINC000848511337 729651312 /nfs/dbraw/zinc/65/13/12/729651312.db2.gz ZIQAGPGLYVUDFY-UHFFFAOYSA-N 1 2 292.318 1.404 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccc3c2OCC3)C1 ZINC001043958447 729655002 /nfs/dbraw/zinc/65/50/02/729655002.db2.gz ZHKFXEDYNAXZGC-UHFFFAOYSA-N 1 2 286.375 1.954 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)ccc1F ZINC001038754166 729655539 /nfs/dbraw/zinc/65/55/39/729655539.db2.gz JVJNRESWIGIAHL-LBPRGKRZSA-N 1 2 260.312 1.571 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)ccc1F ZINC001038754166 729655542 /nfs/dbraw/zinc/65/55/42/729655542.db2.gz JVJNRESWIGIAHL-LBPRGKRZSA-N 1 2 260.312 1.571 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2CC)cc1 ZINC001051061234 729657163 /nfs/dbraw/zinc/65/71/63/729657163.db2.gz LJLGRZRPOCUANI-OAHLLOKOSA-N 1 2 272.348 1.118 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2CC)cc1 ZINC001051061234 729657166 /nfs/dbraw/zinc/65/71/66/729657166.db2.gz LJLGRZRPOCUANI-OAHLLOKOSA-N 1 2 272.348 1.118 20 30 CDEDLO N#CCNC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000996795988 729690747 /nfs/dbraw/zinc/69/07/47/729690747.db2.gz OKHSUUKFCSOVKB-UHFFFAOYSA-N 1 2 283.335 1.052 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1OC(C)C ZINC001032822840 729692407 /nfs/dbraw/zinc/69/24/07/729692407.db2.gz JZVLPIBFCUEAIJ-KBPBESRZSA-N 1 2 299.374 1.401 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1OC(C)C ZINC001032822840 729692411 /nfs/dbraw/zinc/69/24/11/729692411.db2.gz JZVLPIBFCUEAIJ-KBPBESRZSA-N 1 2 299.374 1.401 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2cc(-c3ccccn3)no2)C1 ZINC001031155595 729709742 /nfs/dbraw/zinc/70/97/42/729709742.db2.gz TWYJLRWGAGKOOU-UHFFFAOYSA-N 1 2 298.346 1.727 20 30 CDEDLO C=CC(C)(C)CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000878236341 729725901 /nfs/dbraw/zinc/72/59/01/729725901.db2.gz BOBWKMNGUMQQPA-LBPRGKRZSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccoc2CCC)C1 ZINC001035578317 729730274 /nfs/dbraw/zinc/73/02/74/729730274.db2.gz WFIWTRZKJVXGEC-CYBMUJFWSA-N 1 2 292.379 1.849 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccoc2CCC)C1 ZINC001035578317 729730282 /nfs/dbraw/zinc/73/02/82/729730282.db2.gz WFIWTRZKJVXGEC-CYBMUJFWSA-N 1 2 292.379 1.849 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C=C3CCC3)C[C@@H]21 ZINC001074209336 729736416 /nfs/dbraw/zinc/73/64/16/729736416.db2.gz WNVNLRUFPMOIDL-HOTGVXAUSA-N 1 2 288.391 1.422 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C=C3CCC3)C[C@@H]21 ZINC001074209336 729736422 /nfs/dbraw/zinc/73/64/22/729736422.db2.gz WNVNLRUFPMOIDL-HOTGVXAUSA-N 1 2 288.391 1.422 20 30 CDEDLO CC1(C)C[S@](=O)CC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886158437 729740342 /nfs/dbraw/zinc/74/03/42/729740342.db2.gz ZDRVFYBCMDNKIQ-HXPMCKFVSA-N 1 2 284.425 1.274 20 30 CDEDLO CC1(C)C[S@](=O)CC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886158437 729740345 /nfs/dbraw/zinc/74/03/45/729740345.db2.gz ZDRVFYBCMDNKIQ-HXPMCKFVSA-N 1 2 284.425 1.274 20 30 CDEDLO C#CC[NH+](CC#C)Cc1c(C)[nH]c(C(=O)OCC)c1C ZINC000862245966 729747223 /nfs/dbraw/zinc/74/72/23/729747223.db2.gz CXWNJBPYHYWYSD-UHFFFAOYSA-N 1 2 272.348 1.877 20 30 CDEDLO C#CC[N@@H+](CC[C@@H]1C[C@H]1C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000886062001 729802814 /nfs/dbraw/zinc/80/28/14/729802814.db2.gz DETUCTPJEJMIRP-ILXRZTDVSA-N 1 2 281.421 1.545 20 30 CDEDLO C#CC[N@H+](CC[C@@H]1C[C@H]1C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000886062001 729802815 /nfs/dbraw/zinc/80/28/15/729802815.db2.gz DETUCTPJEJMIRP-ILXRZTDVSA-N 1 2 281.421 1.545 20 30 CDEDLO Cc1nc(N(C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001056911699 729806337 /nfs/dbraw/zinc/80/63/37/729806337.db2.gz LPIBGIUZEYALGI-CQSZACIVSA-N 1 2 284.363 1.236 20 30 CDEDLO C#CCCCS(=O)(=O)NCc1c[nH+]c(C)cc1C ZINC000710205671 729810394 /nfs/dbraw/zinc/81/03/94/729810394.db2.gz HDHUYUPXTXJXBM-UHFFFAOYSA-N 1 2 266.366 1.531 20 30 CDEDLO COC[C@@H](C#N)OC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000857067367 729815647 /nfs/dbraw/zinc/81/56/47/729815647.db2.gz KPYXUNAESLMMTI-HUUCEWRRSA-N 1 2 288.347 1.733 20 30 CDEDLO COC[C@@H](C#N)OC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000857067367 729815648 /nfs/dbraw/zinc/81/56/48/729815648.db2.gz KPYXUNAESLMMTI-HUUCEWRRSA-N 1 2 288.347 1.733 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(CC)o1 ZINC001038413283 729819386 /nfs/dbraw/zinc/81/93/86/729819386.db2.gz RSRIMPMFAKMXIN-LBPRGKRZSA-N 1 2 260.337 1.669 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(CC)o1 ZINC001038413283 729819387 /nfs/dbraw/zinc/81/93/87/729819387.db2.gz RSRIMPMFAKMXIN-LBPRGKRZSA-N 1 2 260.337 1.669 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001031243166 729830048 /nfs/dbraw/zinc/83/00/48/729830048.db2.gz FIJWTEQBCKIWHQ-UHFFFAOYSA-N 1 2 297.362 1.257 20 30 CDEDLO COc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1Cl ZINC000819394219 729835076 /nfs/dbraw/zinc/83/50/76/729835076.db2.gz SWEUKWCKTVYHCH-GFCCVEGCSA-N 1 2 297.786 1.967 20 30 CDEDLO COc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1Cl ZINC000819394219 729835077 /nfs/dbraw/zinc/83/50/77/729835077.db2.gz SWEUKWCKTVYHCH-GFCCVEGCSA-N 1 2 297.786 1.967 20 30 CDEDLO CC(C)C[N@H+](CCC#N)Cc1cnc2c(C#N)cnn2c1 ZINC000843391129 729835478 /nfs/dbraw/zinc/83/54/78/729835478.db2.gz NMKVHMMFQWLTBA-UHFFFAOYSA-N 1 2 282.351 1.973 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)Cc1cnc2c(C#N)cnn2c1 ZINC000843391129 729835479 /nfs/dbraw/zinc/83/54/79/729835479.db2.gz NMKVHMMFQWLTBA-UHFFFAOYSA-N 1 2 282.351 1.973 20 30 CDEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCn2cccc2C1 ZINC000932527122 729839563 /nfs/dbraw/zinc/83/95/63/729839563.db2.gz XKBBQYOXQHUWQL-MRXNPFEDSA-N 1 2 297.358 1.615 20 30 CDEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCn2cccc2C1 ZINC000932527122 729839564 /nfs/dbraw/zinc/83/95/64/729839564.db2.gz XKBBQYOXQHUWQL-MRXNPFEDSA-N 1 2 297.358 1.615 20 30 CDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cn[nH]c1 ZINC001031559267 729842406 /nfs/dbraw/zinc/84/24/06/729842406.db2.gz DSUOBXFOKMUFPW-UHFFFAOYSA-N 1 2 294.358 1.123 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC001038352703 729851357 /nfs/dbraw/zinc/85/13/57/729851357.db2.gz OPWWFGMNRLFBIP-GDBMZVCRSA-N 1 2 298.386 1.549 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC001038352703 729851360 /nfs/dbraw/zinc/85/13/60/729851360.db2.gz OPWWFGMNRLFBIP-GDBMZVCRSA-N 1 2 298.386 1.549 20 30 CDEDLO C#CCCCS(=O)(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000710286492 729859883 /nfs/dbraw/zinc/85/98/83/729859883.db2.gz WUAVKVNHYBDUMD-LBPRGKRZSA-N 1 2 284.381 1.215 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C=C3CCC3)C[C@H]21 ZINC001074212185 729867416 /nfs/dbraw/zinc/86/74/16/729867416.db2.gz LHCWAGHJYOFSQU-HUUCEWRRSA-N 1 2 276.380 1.584 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H]2CCN(C(=O)C=C3CCC3)C[C@H]21 ZINC001074212185 729867417 /nfs/dbraw/zinc/86/74/17/729867417.db2.gz LHCWAGHJYOFSQU-HUUCEWRRSA-N 1 2 276.380 1.584 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(C)=O)C[C@H](C)O2 ZINC001071107871 729876119 /nfs/dbraw/zinc/87/61/19/729876119.db2.gz QZWSSUSRXLSJLW-AAEUAGOBSA-N 1 2 272.776 1.451 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(C)=O)C[C@H](C)O2 ZINC001071107871 729876122 /nfs/dbraw/zinc/87/61/22/729876122.db2.gz QZWSSUSRXLSJLW-AAEUAGOBSA-N 1 2 272.776 1.451 20 30 CDEDLO C#CC1(F)CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000881940626 729876784 /nfs/dbraw/zinc/87/67/84/729876784.db2.gz INJYOGBPCAUHRS-UHFFFAOYSA-N 1 2 283.306 1.729 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(CC(C)C)c1 ZINC001038858616 729878466 /nfs/dbraw/zinc/87/84/66/729878466.db2.gz YCCAUSZFHRSHAU-OAHLLOKOSA-N 1 2 288.395 1.367 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(CC(C)C)c1 ZINC001038858616 729878467 /nfs/dbraw/zinc/87/84/67/729878467.db2.gz YCCAUSZFHRSHAU-OAHLLOKOSA-N 1 2 288.395 1.367 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)c(C)o2)C1 ZINC001035336925 729881132 /nfs/dbraw/zinc/88/11/32/729881132.db2.gz NERKHOCQIGTQRP-CQSZACIVSA-N 1 2 292.379 1.903 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(C)c(C)o2)C1 ZINC001035336925 729881135 /nfs/dbraw/zinc/88/11/35/729881135.db2.gz NERKHOCQIGTQRP-CQSZACIVSA-N 1 2 292.379 1.903 20 30 CDEDLO C#CC[NH2+]C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000996624580 729900863 /nfs/dbraw/zinc/90/08/63/729900863.db2.gz YSWVQCWLXHJDBR-VIFPVBQESA-N 1 2 266.238 1.101 20 30 CDEDLO C#CC[NH2+]C1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000996624580 729900868 /nfs/dbraw/zinc/90/08/68/729900868.db2.gz YSWVQCWLXHJDBR-VIFPVBQESA-N 1 2 266.238 1.101 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CC[NH2+][C@H](c2cccc(OC)c2)C1 ZINC000870155057 729948541 /nfs/dbraw/zinc/94/85/41/729948541.db2.gz SDYFPWABYWUDSQ-DOMZBBRYSA-N 1 2 287.363 1.718 20 30 CDEDLO NC(CCO)=[NH+]OCC(=O)NCCCC1CCCCC1 ZINC000121395332 729949487 /nfs/dbraw/zinc/94/94/87/729949487.db2.gz VESQBJUQGLOTAO-UHFFFAOYSA-N 1 2 285.388 1.134 20 30 CDEDLO C#CCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000185484267 729958313 /nfs/dbraw/zinc/95/83/13/729958313.db2.gz JLIOOQTYMDTXAY-QWHCGFSZSA-N 1 2 266.385 1.261 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC2(F)F)C1 ZINC000950031240 729961075 /nfs/dbraw/zinc/96/10/75/729961075.db2.gz VNMTUTLNNSJJCO-NSHDSACASA-N 1 2 258.312 1.750 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ocnc1C1CC1 ZINC001032627302 729967033 /nfs/dbraw/zinc/96/70/33/729967033.db2.gz WMDLRNJQCLHKNN-RYUDHWBXSA-N 1 2 273.336 1.637 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ocnc1C1CC1 ZINC001032627302 729967034 /nfs/dbraw/zinc/96/70/34/729967034.db2.gz WMDLRNJQCLHKNN-RYUDHWBXSA-N 1 2 273.336 1.637 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c(C)nn(C)c2F)C1 ZINC001044241327 729968001 /nfs/dbraw/zinc/96/80/01/729968001.db2.gz BEQZMEFMQAGPKU-UHFFFAOYSA-N 1 2 280.347 1.200 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2cccnc2c1 ZINC001038832615 729970470 /nfs/dbraw/zinc/97/04/70/729970470.db2.gz YIGVTNYOXCEULS-HNNXBMFYSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2cccnc2c1 ZINC001038832615 729970471 /nfs/dbraw/zinc/97/04/71/729970471.db2.gz YIGVTNYOXCEULS-HNNXBMFYSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CCC)[nH]c(=O)c1 ZINC001032672522 729971480 /nfs/dbraw/zinc/97/14/80/729971480.db2.gz QLFGBUKTZKVPNT-GJZGRUSLSA-N 1 2 299.374 1.272 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CCC)[nH]c(=O)c1 ZINC001032672522 729971484 /nfs/dbraw/zinc/97/14/84/729971484.db2.gz QLFGBUKTZKVPNT-GJZGRUSLSA-N 1 2 299.374 1.272 20 30 CDEDLO CC[C@@H]1C[N@H+](CCO[C@H](C)C#N)C[C@H](C)[S@@]1=O ZINC000796376048 729976926 /nfs/dbraw/zinc/97/69/26/729976926.db2.gz HKXJJTQCMGPXKX-DRAKQNMHSA-N 1 2 258.387 1.146 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCO[C@H](C)C#N)C[C@H](C)[S@@]1=O ZINC000796376048 729976927 /nfs/dbraw/zinc/97/69/27/729976927.db2.gz HKXJJTQCMGPXKX-DRAKQNMHSA-N 1 2 258.387 1.146 20 30 CDEDLO C=CCC[NH+]1CC(N(C)C(=O)[C@H]2CCCc3c[nH]nc32)C1 ZINC001042725633 729978943 /nfs/dbraw/zinc/97/89/43/729978943.db2.gz YDTPMVAXFWQQNB-AWEZNQCLSA-N 1 2 288.395 1.548 20 30 CDEDLO C=CC[N@H+](Cc1noc2c1COCC2)[C@H](C)COC ZINC000930932679 729981219 /nfs/dbraw/zinc/98/12/19/729981219.db2.gz LSBGXTREGRFCEV-LLVKDONJSA-N 1 2 266.341 1.770 20 30 CDEDLO C=CC[N@@H+](Cc1noc2c1COCC2)[C@H](C)COC ZINC000930932679 729981220 /nfs/dbraw/zinc/98/12/20/729981220.db2.gz LSBGXTREGRFCEV-LLVKDONJSA-N 1 2 266.341 1.770 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cc1nccn1CC(F)(F)F ZINC000852752140 730006983 /nfs/dbraw/zinc/00/69/83/730006983.db2.gz UVKUIIWSIWJIJX-UHFFFAOYSA-N 1 2 289.301 1.917 20 30 CDEDLO C#CCC[N@H+](CCOC)Cc1nccn1CC(F)(F)F ZINC000852752140 730006985 /nfs/dbraw/zinc/00/69/85/730006985.db2.gz UVKUIIWSIWJIJX-UHFFFAOYSA-N 1 2 289.301 1.917 20 30 CDEDLO C#CCC[NH2+][C@H](C(=O)OC)[C@H]1CCC[C@H](OC)C1 ZINC000844445964 730008318 /nfs/dbraw/zinc/00/83/18/730008318.db2.gz IILYQMOZZAFJJX-AVGNSLFASA-N 1 2 253.342 1.346 20 30 CDEDLO C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000866233125 730012204 /nfs/dbraw/zinc/01/22/04/730012204.db2.gz ROCOGEYVUPMSAW-XSHSDMCLSA-N 1 2 299.374 1.624 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C(C)C)nn2C)C1 ZINC001044129379 730021474 /nfs/dbraw/zinc/02/14/74/730021474.db2.gz OURZNMSJLVJDPH-UHFFFAOYSA-N 1 2 288.395 1.323 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CCC ZINC001017923924 730024312 /nfs/dbraw/zinc/02/43/12/730024312.db2.gz YMDJBDFFEYEBCI-APIJFGDWSA-N 1 2 260.381 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CCC ZINC001017923924 730024317 /nfs/dbraw/zinc/02/43/17/730024317.db2.gz YMDJBDFFEYEBCI-APIJFGDWSA-N 1 2 260.381 1.731 20 30 CDEDLO C#C[C@@](C)(CC)[NH2+]CC(=O)NC(=O)c1ccc(OC)cc1 ZINC000852100591 730039369 /nfs/dbraw/zinc/03/93/69/730039369.db2.gz IMIQJWKEMPLHLJ-INIZCTEOSA-N 1 2 288.347 1.343 20 30 CDEDLO C#CC1(F)CN(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)C1 ZINC000883803444 730039415 /nfs/dbraw/zinc/03/94/15/730039415.db2.gz FRRDVUJHMHOGJW-CQSZACIVSA-N 1 2 287.338 1.540 20 30 CDEDLO C#CC1(F)CN(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)C1 ZINC000883803444 730039416 /nfs/dbraw/zinc/03/94/16/730039416.db2.gz FRRDVUJHMHOGJW-CQSZACIVSA-N 1 2 287.338 1.540 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(CC)[nH]n2)C1 ZINC001033752049 730042481 /nfs/dbraw/zinc/04/24/81/730042481.db2.gz AGKJQFUWJXCEJR-CQSZACIVSA-N 1 2 288.395 1.532 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(CC)[nH]n2)C1 ZINC001033752049 730042486 /nfs/dbraw/zinc/04/24/86/730042486.db2.gz AGKJQFUWJXCEJR-CQSZACIVSA-N 1 2 288.395 1.532 20 30 CDEDLO C[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CC(C)(C)OC1=O ZINC000795717464 730064596 /nfs/dbraw/zinc/06/45/96/730064596.db2.gz MHJYXXFKZSKKEK-KGLIPLIRSA-N 1 2 288.347 1.618 20 30 CDEDLO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CC(C)(C)OC1=O ZINC000795717464 730064601 /nfs/dbraw/zinc/06/46/01/730064601.db2.gz MHJYXXFKZSKKEK-KGLIPLIRSA-N 1 2 288.347 1.618 20 30 CDEDLO C#CC[NH2+][C@H]1CCN(C(=O)C(F)C(F)(F)F)[C@H]1C ZINC001074661807 730066243 /nfs/dbraw/zinc/06/62/43/730066243.db2.gz MJORBILQPVJMMG-XHNCKOQMSA-N 1 2 266.238 1.099 20 30 CDEDLO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)[C@H]1C ZINC001074661807 730066247 /nfs/dbraw/zinc/06/62/47/730066247.db2.gz MJORBILQPVJMMG-XHNCKOQMSA-N 1 2 266.238 1.099 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCCO1)CO2 ZINC001053779604 730073720 /nfs/dbraw/zinc/07/37/20/730073720.db2.gz VAQPQWFQKOWMLU-KGLIPLIRSA-N 1 2 294.395 1.091 20 30 CDEDLO C=CC[N@H+](CN1C[C@@H]2CCCCN2C1=O)[C@H](C)COC ZINC000872624089 730288570 /nfs/dbraw/zinc/28/85/70/730288570.db2.gz HTROYDICXVDEAL-KGLIPLIRSA-N 1 2 281.400 1.757 20 30 CDEDLO C=CC[N@@H+](CN1C[C@@H]2CCCCN2C1=O)[C@H](C)COC ZINC000872624089 730288576 /nfs/dbraw/zinc/28/85/76/730288576.db2.gz HTROYDICXVDEAL-KGLIPLIRSA-N 1 2 281.400 1.757 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2C[C@@H](C)CO2)CC1 ZINC001000967812 730310834 /nfs/dbraw/zinc/31/08/34/730310834.db2.gz JBNBQHCDOSOZHO-BXUZGUMPSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@@H](C)CO2)CC1 ZINC001000967812 730310841 /nfs/dbraw/zinc/31/08/41/730310841.db2.gz JBNBQHCDOSOZHO-BXUZGUMPSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000182614916 730315709 /nfs/dbraw/zinc/31/57/09/730315709.db2.gz KWTMCCMLFMURAU-CYBMUJFWSA-N 1 2 251.330 1.172 20 30 CDEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000182614916 730315716 /nfs/dbraw/zinc/31/57/16/730315716.db2.gz KWTMCCMLFMURAU-CYBMUJFWSA-N 1 2 251.330 1.172 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2cc[nH]c2c1 ZINC001038384126 730325448 /nfs/dbraw/zinc/32/54/48/730325448.db2.gz BIHNVLUGSTXSEH-GFCCVEGCSA-N 1 2 268.320 1.000 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2cc[nH]c2c1 ZINC001038384126 730325450 /nfs/dbraw/zinc/32/54/50/730325450.db2.gz BIHNVLUGSTXSEH-GFCCVEGCSA-N 1 2 268.320 1.000 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(=O)[nH]c2)C1 ZINC001033635085 730335481 /nfs/dbraw/zinc/33/54/81/730335481.db2.gz DQTGNQKBRPOBNT-GFCCVEGCSA-N 1 2 295.770 1.686 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(=O)[nH]c2)C1 ZINC001033635085 730335485 /nfs/dbraw/zinc/33/54/85/730335485.db2.gz DQTGNQKBRPOBNT-GFCCVEGCSA-N 1 2 295.770 1.686 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cnoc2)C1 ZINC001008280973 730345827 /nfs/dbraw/zinc/34/58/27/730345827.db2.gz GIONZQADROLYPY-LBPRGKRZSA-N 1 2 283.759 1.550 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cnoc2)C1 ZINC001008280973 730345830 /nfs/dbraw/zinc/34/58/30/730345830.db2.gz GIONZQADROLYPY-LBPRGKRZSA-N 1 2 283.759 1.550 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C)c1 ZINC001038033269 730355812 /nfs/dbraw/zinc/35/58/12/730355812.db2.gz QXGGRIJCTIEVFY-OAHLLOKOSA-N 1 2 256.349 1.822 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C)c1 ZINC001038033269 730355816 /nfs/dbraw/zinc/35/58/16/730355816.db2.gz QXGGRIJCTIEVFY-OAHLLOKOSA-N 1 2 256.349 1.822 20 30 CDEDLO C#C[C@H](NC(=O)NCc1cc(C)[nH+]c(C)c1)[C@@H]1CCCO1 ZINC000817165424 730385627 /nfs/dbraw/zinc/38/56/27/730385627.db2.gz MFUZEYWXYPFVLY-GJZGRUSLSA-N 1 2 287.363 1.678 20 30 CDEDLO CNC(=S)N(C)N=C1CCN(c2cccc[nH+]2)CC1 ZINC000841647313 730385710 /nfs/dbraw/zinc/38/57/10/730385710.db2.gz QDPYSZMZXPHWAD-UHFFFAOYSA-N 1 2 277.397 1.474 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccnnc2)[C@@H]1C ZINC000993865304 730401593 /nfs/dbraw/zinc/40/15/93/730401593.db2.gz VEIMBWTWWHMCOO-WCQYABFASA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccnnc2)[C@@H]1C ZINC000993865304 730401594 /nfs/dbraw/zinc/40/15/94/730401594.db2.gz VEIMBWTWWHMCOO-WCQYABFASA-N 1 2 294.786 1.812 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCO[C@@H](C)C2)C1 ZINC001044104521 730407038 /nfs/dbraw/zinc/40/70/38/730407038.db2.gz RAIKCGCJJWDASM-NWDGAFQWSA-N 1 2 252.358 1.130 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+](CC=C)CCO2)cc1 ZINC001035469297 730409405 /nfs/dbraw/zinc/40/94/05/730409405.db2.gz DVKYOAFPRZIJBU-INIZCTEOSA-N 1 2 284.359 1.285 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](CC=C)CCO2)cc1 ZINC001035469297 730409407 /nfs/dbraw/zinc/40/94/07/730409407.db2.gz DVKYOAFPRZIJBU-INIZCTEOSA-N 1 2 284.359 1.285 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2ncccc2F)C1 ZINC001043648707 730410121 /nfs/dbraw/zinc/41/01/21/730410121.db2.gz WNPBIBRYHCFDJA-UHFFFAOYSA-N 1 2 277.343 1.482 20 30 CDEDLO CO[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1F ZINC001137114768 1165941146 /nfs/dbraw/zinc/94/11/46/1165941146.db2.gz ZCSCXOQEZKNNNJ-KBPBESRZSA-N 1 2 264.300 1.758 20 30 CDEDLO CO[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1F ZINC001137114768 1165941151 /nfs/dbraw/zinc/94/11/51/1165941151.db2.gz ZCSCXOQEZKNNNJ-KBPBESRZSA-N 1 2 264.300 1.758 20 30 CDEDLO C#CCOCCN1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000879444933 1166353445 /nfs/dbraw/zinc/35/34/45/1166353445.db2.gz KGXGEXDKMPKFLG-UHFFFAOYSA-N 1 2 274.364 1.160 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879762502 1166410155 /nfs/dbraw/zinc/41/01/55/1166410155.db2.gz IAIADNHWPHUKGU-JTQLQIEISA-N 1 2 250.264 1.705 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879762502 1166410159 /nfs/dbraw/zinc/41/01/59/1166410159.db2.gz IAIADNHWPHUKGU-JTQLQIEISA-N 1 2 250.264 1.705 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)C[C@H](C)OC)C1CC1 ZINC001377517702 975060570 /nfs/dbraw/zinc/06/05/70/975060570.db2.gz JVPWKFMFFVBKEM-NSHDSACASA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)C[C@H](C)OC)C1CC1 ZINC001377517702 975060575 /nfs/dbraw/zinc/06/05/75/975060575.db2.gz JVPWKFMFFVBKEM-NSHDSACASA-N 1 2 274.792 1.745 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCC3(C2)OCCO3)c1 ZINC001232679600 912386868 /nfs/dbraw/zinc/38/68/68/912386868.db2.gz ONBPUXBHLNJXLL-UHFFFAOYSA-N 1 2 260.293 1.213 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC3(C2)OCCO3)c1 ZINC001232679600 912386830 /nfs/dbraw/zinc/38/68/30/912386830.db2.gz ONBPUXBHLNJXLL-UHFFFAOYSA-N 1 2 260.293 1.213 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CCCO1 ZINC001232846470 912556600 /nfs/dbraw/zinc/55/66/00/912556600.db2.gz IIXBCWDWEQRKGC-LBPRGKRZSA-N 1 2 280.349 1.384 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CCCO1 ZINC001232846470 912556611 /nfs/dbraw/zinc/55/66/11/912556611.db2.gz IIXBCWDWEQRKGC-LBPRGKRZSA-N 1 2 280.349 1.384 20 30 CDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cocn1 ZINC001272375008 912970790 /nfs/dbraw/zinc/97/07/90/912970790.db2.gz LFHNVZZIBXRHGN-HNNXBMFYSA-N 1 2 275.352 1.818 20 30 CDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cocn1 ZINC001272375008 912970800 /nfs/dbraw/zinc/97/08/00/912970800.db2.gz LFHNVZZIBXRHGN-HNNXBMFYSA-N 1 2 275.352 1.818 20 30 CDEDLO C#CCN1CC2(C[NH+](Cc3ccccc3CC)C2)OCC1=O ZINC001272421497 913057588 /nfs/dbraw/zinc/05/75/88/913057588.db2.gz KGUAAIYCBVZZKZ-UHFFFAOYSA-N 1 2 298.386 1.295 20 30 CDEDLO C=C1CC(C)(C(=O)NC2C[NH+](C[C@H]3CC[C@H](C)O3)C2)C1 ZINC001030924681 913128153 /nfs/dbraw/zinc/12/81/53/913128153.db2.gz WRMINXMJMCCQFN-GXTWGEPZSA-N 1 2 278.396 1.711 20 30 CDEDLO N#CCCCN1CC[C@]2(CCC[N@@H+]2Cc2cc[nH]n2)C1=O ZINC001272537381 913391336 /nfs/dbraw/zinc/39/13/36/913391336.db2.gz HHJKIWNNZLJBAZ-OAHLLOKOSA-N 1 2 287.367 1.280 20 30 CDEDLO N#CCCCN1CC[C@]2(CCC[N@H+]2Cc2cc[nH]n2)C1=O ZINC001272537381 913391352 /nfs/dbraw/zinc/39/13/52/913391352.db2.gz HHJKIWNNZLJBAZ-OAHLLOKOSA-N 1 2 287.367 1.280 20 30 CDEDLO N#CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc[nH]n2)C1=O ZINC001272537379 913391552 /nfs/dbraw/zinc/39/15/52/913391552.db2.gz HHJKIWNNZLJBAZ-HNNXBMFYSA-N 1 2 287.367 1.280 20 30 CDEDLO N#CCCCN1CC[C@@]2(CCC[N@H+]2Cc2cc[nH]n2)C1=O ZINC001272537379 913391569 /nfs/dbraw/zinc/39/15/69/913391569.db2.gz HHJKIWNNZLJBAZ-HNNXBMFYSA-N 1 2 287.367 1.280 20 30 CDEDLO N#Cc1cc(Nc2ccc(N3CCOCC3)[nH+]c2)ccn1 ZINC001174973292 913401382 /nfs/dbraw/zinc/40/13/82/913401382.db2.gz QBMMLKNRKDSHJZ-UHFFFAOYSA-N 1 2 281.319 1.350 20 30 CDEDLO C[N@@H+]1CCCn2nc(C(=O)Nc3[nH]ccc3C#N)cc2C1 ZINC001175047915 913442438 /nfs/dbraw/zinc/44/24/38/913442438.db2.gz PGWPAQJWDOJWQX-UHFFFAOYSA-N 1 2 284.323 1.171 20 30 CDEDLO C[N@H+]1CCCn2nc(C(=O)Nc3[nH]ccc3C#N)cc2C1 ZINC001175047915 913442441 /nfs/dbraw/zinc/44/24/41/913442441.db2.gz PGWPAQJWDOJWQX-UHFFFAOYSA-N 1 2 284.323 1.171 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC001031102954 913609135 /nfs/dbraw/zinc/60/91/35/913609135.db2.gz UJBSMAZVWNDPQN-UHFFFAOYSA-N 1 2 282.347 1.309 20 30 CDEDLO N#Cc1ccc([NH+]=C(NO)c2ccccc2N)cn1 ZINC001209616233 894791694 /nfs/dbraw/zinc/79/16/94/894791694.db2.gz PWSHWLIRFMZLLR-UHFFFAOYSA-N 1 2 253.265 1.593 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CC(F)(F)F ZINC001267188334 897075505 /nfs/dbraw/zinc/07/55/05/897075505.db2.gz NRSBKVIMAYYVDS-UHFFFAOYSA-N 1 2 258.671 1.739 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CC(F)(F)F ZINC001267188334 897075517 /nfs/dbraw/zinc/07/55/17/897075517.db2.gz NRSBKVIMAYYVDS-UHFFFAOYSA-N 1 2 258.671 1.739 20 30 CDEDLO N#Cc1cc2cccnc2nc1NC(=O)CCn1cc[nH+]c1 ZINC001176873385 914320746 /nfs/dbraw/zinc/32/07/46/914320746.db2.gz LAXAURBDNALOSO-UHFFFAOYSA-N 1 2 292.302 1.727 20 30 CDEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)C(F)F ZINC001009810436 900656427 /nfs/dbraw/zinc/65/64/27/900656427.db2.gz RZLWSGAXCFVZSL-CYBMUJFWSA-N 1 2 296.292 1.633 20 30 CDEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)C(F)F ZINC001009810436 900656433 /nfs/dbraw/zinc/65/64/33/900656433.db2.gz RZLWSGAXCFVZSL-CYBMUJFWSA-N 1 2 296.292 1.633 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](CCC)OC)C1 ZINC001481639258 901570487 /nfs/dbraw/zinc/57/04/87/901570487.db2.gz XHYMGTCLFLXVIG-LBPRGKRZSA-N 1 2 274.792 1.602 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001031424119 914622843 /nfs/dbraw/zinc/62/28/43/914622843.db2.gz UJTRKIMKJHYSAD-MRXNPFEDSA-N 1 2 260.381 1.947 20 30 CDEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCCC#N ZINC000426409160 902548013 /nfs/dbraw/zinc/54/80/13/902548013.db2.gz DONOFLSVVOUNFB-UHFFFAOYSA-N 1 2 277.372 1.781 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C23CC(C(F)(F)F)(C2)C3)C1 ZINC001031443508 914637731 /nfs/dbraw/zinc/63/77/31/914637731.db2.gz MMFLDLBSFDZWBY-UHFFFAOYSA-N 1 2 286.297 1.543 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)CC2CCC(OC)CC2)C1 ZINC001031488445 914669845 /nfs/dbraw/zinc/66/98/45/914669845.db2.gz PGIVJFROARFVDA-UHFFFAOYSA-N 1 2 280.412 1.958 20 30 CDEDLO N#C[C@H]1CCC[N@H+](Cc2cn3c(n2)COCC3)CC1 ZINC001141535018 904430704 /nfs/dbraw/zinc/43/07/04/904430704.db2.gz LJWYMZILXBBLQI-LBPRGKRZSA-N 1 2 260.341 1.539 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](Cc2cn3c(n2)COCC3)CC1 ZINC001141535018 904430710 /nfs/dbraw/zinc/43/07/10/904430710.db2.gz LJWYMZILXBBLQI-LBPRGKRZSA-N 1 2 260.341 1.539 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(F)F)[C@H]1CC ZINC001087480367 905004755 /nfs/dbraw/zinc/00/47/55/905004755.db2.gz KGWOSDHCRRQZPK-DTWKUNHWSA-N 1 2 266.719 1.973 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(F)F)[C@H]1CC ZINC001087480367 905004768 /nfs/dbraw/zinc/00/47/68/905004768.db2.gz KGWOSDHCRRQZPK-DTWKUNHWSA-N 1 2 266.719 1.973 20 30 CDEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C#CC3CC3)c2C1 ZINC001128347525 921277259 /nfs/dbraw/zinc/27/72/59/921277259.db2.gz XDIYKSADTABIBL-UHFFFAOYSA-N 1 2 298.390 1.304 20 30 CDEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C#CC3CC3)c2C1 ZINC001128347525 921277263 /nfs/dbraw/zinc/27/72/63/921277263.db2.gz XDIYKSADTABIBL-UHFFFAOYSA-N 1 2 298.390 1.304 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001128405222 921295536 /nfs/dbraw/zinc/29/55/36/921295536.db2.gz UUOLLQCYIDUECI-UHFFFAOYSA-N 1 2 265.357 1.854 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccccn1 ZINC001482575936 907328516 /nfs/dbraw/zinc/32/85/16/907328516.db2.gz ZKPKFXXGFCDSAK-UHFFFAOYSA-N 1 2 267.760 1.838 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccccn1 ZINC001482575936 907328534 /nfs/dbraw/zinc/32/85/34/907328534.db2.gz ZKPKFXXGFCDSAK-UHFFFAOYSA-N 1 2 267.760 1.838 20 30 CDEDLO Cc1nc(N2C[C@@H](CNC(=O)C#CC3CC3)[C@H](C)C2)cc[nH+]1 ZINC001092364532 909372748 /nfs/dbraw/zinc/37/27/48/909372748.db2.gz AWNAKIPHYFAWHF-IUODEOHRSA-N 1 2 298.390 1.387 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnc(C)n2C)[C@H]1C ZINC001088817751 909617872 /nfs/dbraw/zinc/61/78/72/909617872.db2.gz FTELVAIIOICHRP-PWSUYJOCSA-N 1 2 296.802 1.674 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnc(C)n2C)[C@H]1C ZINC001088817751 909617881 /nfs/dbraw/zinc/61/78/81/909617881.db2.gz FTELVAIIOICHRP-PWSUYJOCSA-N 1 2 296.802 1.674 20 30 CDEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C(C)C)CC2)C1 ZINC001093506662 909876886 /nfs/dbraw/zinc/87/68/86/909876886.db2.gz CBOBMQOSHMUYHF-UHFFFAOYSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3nonc3C)[C@@H]2C1 ZINC001076634576 909936264 /nfs/dbraw/zinc/93/62/64/909936264.db2.gz OFKVVIVGBAZBFN-WDEREUQCSA-N 1 2 296.758 1.277 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3nonc3C)[C@@H]2C1 ZINC001076634576 909936281 /nfs/dbraw/zinc/93/62/81/909936281.db2.gz OFKVVIVGBAZBFN-WDEREUQCSA-N 1 2 296.758 1.277 20 30 CDEDLO C#Cc1ccc(C(=O)NCCNc2cc[nH+]c(C)n2)nc1 ZINC001093764802 910133302 /nfs/dbraw/zinc/13/33/02/910133302.db2.gz WRWMZEAHFQOPJG-UHFFFAOYSA-N 1 2 281.319 1.003 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](C)OCC)CC2)C1 ZINC001105690527 910202242 /nfs/dbraw/zinc/20/22/42/910202242.db2.gz PEBMZNBXELWBFI-CYBMUJFWSA-N 1 2 296.411 1.289 20 30 CDEDLO N#CCc1cccc(N[C@@H]2CCC[N@@H+](C3COC3)C2)n1 ZINC001168369679 910337461 /nfs/dbraw/zinc/33/74/61/910337461.db2.gz HGKMVMRQXNJBLZ-CYBMUJFWSA-N 1 2 272.352 1.423 20 30 CDEDLO N#CCc1cccc(N[C@@H]2CCC[N@H+](C3COC3)C2)n1 ZINC001168369679 910337476 /nfs/dbraw/zinc/33/74/76/910337476.db2.gz HGKMVMRQXNJBLZ-CYBMUJFWSA-N 1 2 272.352 1.423 20 30 CDEDLO N#Cc1ccc(C(=O)NC2C[NH+](Cc3ccccc3)C2)[nH]1 ZINC001030223412 911602552 /nfs/dbraw/zinc/60/25/52/911602552.db2.gz WLNSQMYLRAVLPE-UHFFFAOYSA-N 1 2 280.331 1.501 20 30 CDEDLO C#Cc1nccnc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212665370 911730807 /nfs/dbraw/zinc/73/08/07/911730807.db2.gz KQKSUFQHENJJTI-UHFFFAOYSA-N 1 2 280.331 1.378 20 30 CDEDLO C=CC[C@@](C)([NH2+][C@H]1CCC[C@@H](C(=O)OC)C1)C(=O)OC ZINC001172611136 911786326 /nfs/dbraw/zinc/78/63/26/911786326.db2.gz LXWQFYUUUQJWBR-TYNCELHUSA-N 1 2 283.368 1.816 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cn3c(n2)C[C@@H](C)CC3)C1 ZINC001030516511 911963623 /nfs/dbraw/zinc/96/36/23/911963623.db2.gz HVSSCBAGRADXIX-LBPRGKRZSA-N 1 2 288.395 1.456 20 30 CDEDLO O=C(C#Cc1ccccn1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001177801909 914945728 /nfs/dbraw/zinc/94/57/28/914945728.db2.gz NUFUJFMQLBQVBE-UHFFFAOYSA-N 1 2 280.331 1.562 20 30 CDEDLO O=C(C#Cc1ccccn1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001177801909 914945749 /nfs/dbraw/zinc/94/57/49/914945749.db2.gz NUFUJFMQLBQVBE-UHFFFAOYSA-N 1 2 280.331 1.562 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000179527023 915228156 /nfs/dbraw/zinc/22/81/56/915228156.db2.gz FNPFUDRRTOBWBL-GJZGRUSLSA-N 1 2 287.363 1.192 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000179527023 915228169 /nfs/dbraw/zinc/22/81/69/915228169.db2.gz FNPFUDRRTOBWBL-GJZGRUSLSA-N 1 2 287.363 1.192 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H]([NH2+]Cc2csnn2)[C@@H]1C ZINC001178577206 915530036 /nfs/dbraw/zinc/53/00/36/915530036.db2.gz SHWBAOMPUUIHFO-AAEUAGOBSA-N 1 2 292.408 1.421 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@H](C[NH+]1CCOCC1)C(C)(C)C ZINC001179902487 916086054 /nfs/dbraw/zinc/08/60/54/916086054.db2.gz MRIPPSDMWICNDB-NWDGAFQWSA-N 1 2 267.373 1.009 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)COCC(F)(F)C(F)F)CC1 ZINC001180643977 916544330 /nfs/dbraw/zinc/54/43/30/916544330.db2.gz NBKAFJWVAZOVPK-UHFFFAOYSA-N 1 2 298.280 1.234 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccn(C)n1 ZINC001485385242 916933449 /nfs/dbraw/zinc/93/34/49/916933449.db2.gz DQBAOAJBFIYZRM-SNVBAGLBSA-N 1 2 270.764 1.223 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccn(C)n1 ZINC001485385242 916933454 /nfs/dbraw/zinc/93/34/54/916933454.db2.gz DQBAOAJBFIYZRM-SNVBAGLBSA-N 1 2 270.764 1.223 20 30 CDEDLO COc1ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c(C#N)c1 ZINC001137704516 936392832 /nfs/dbraw/zinc/39/28/32/936392832.db2.gz JOBFQISNJYKADZ-HNNXBMFYSA-N 1 2 297.362 1.995 20 30 CDEDLO COc1ccc(C[N@H+]2CCC[C@H](n3cncn3)C2)c(C#N)c1 ZINC001137704516 936392836 /nfs/dbraw/zinc/39/28/36/936392836.db2.gz JOBFQISNJYKADZ-HNNXBMFYSA-N 1 2 297.362 1.995 20 30 CDEDLO CS(=O)(=O)c1ccc(C[NH+]2CCC(S)CC2)cc1 ZINC001137731244 936399438 /nfs/dbraw/zinc/39/94/38/936399438.db2.gz YAQTXPDBOPTHNC-UHFFFAOYSA-N 1 2 285.434 1.984 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnco1)O2 ZINC001053636051 936416052 /nfs/dbraw/zinc/41/60/52/936416052.db2.gz UIZRIPLGXFBFPF-LBPRGKRZSA-N 1 2 291.351 1.214 20 30 CDEDLO COc1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1C#N ZINC000830417059 936459003 /nfs/dbraw/zinc/45/90/03/936459003.db2.gz OKCVILWWJUGQJV-LLVKDONJSA-N 1 2 296.330 1.964 20 30 CDEDLO C=CCN1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC001138127675 936474727 /nfs/dbraw/zinc/47/47/27/936474727.db2.gz LBMFLCUBJIVOSV-UHFFFAOYSA-N 1 2 250.317 1.835 20 30 CDEDLO C=CC[NH+]1CCN(Cc2cccc(F)c2O)CC1 ZINC001138127675 936474729 /nfs/dbraw/zinc/47/47/29/936474729.db2.gz LBMFLCUBJIVOSV-UHFFFAOYSA-N 1 2 250.317 1.835 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(N2CCOCC2)nn1 ZINC001255154419 936503536 /nfs/dbraw/zinc/50/35/36/936503536.db2.gz HNGQZFREOVPBFW-LBPRGKRZSA-N 1 2 275.356 1.095 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001077614440 918440332 /nfs/dbraw/zinc/44/03/32/918440332.db2.gz FQEBTRUSOFCHJZ-ZIAGYGMSSA-N 1 2 292.766 1.057 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001077614440 918440342 /nfs/dbraw/zinc/44/03/42/918440342.db2.gz FQEBTRUSOFCHJZ-ZIAGYGMSSA-N 1 2 292.766 1.057 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(F)F)C1 ZINC001107683514 918611048 /nfs/dbraw/zinc/61/10/48/918611048.db2.gz NYSRTJOGYZEZLC-LLVKDONJSA-N 1 2 262.300 1.035 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(F)F)C1 ZINC001107683514 918611058 /nfs/dbraw/zinc/61/10/58/918611058.db2.gz NYSRTJOGYZEZLC-LLVKDONJSA-N 1 2 262.300 1.035 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001077744412 918928731 /nfs/dbraw/zinc/92/87/31/918928731.db2.gz QSDRXYDRGLMBNW-LBPRGKRZSA-N 1 2 292.383 1.106 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccnc(F)c1 ZINC001050847786 936565969 /nfs/dbraw/zinc/56/59/69/936565969.db2.gz UFTNEWYIVRHJTE-CYBMUJFWSA-N 1 2 293.342 1.227 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccnc(F)c1 ZINC001050847786 936565972 /nfs/dbraw/zinc/56/59/72/936565972.db2.gz UFTNEWYIVRHJTE-CYBMUJFWSA-N 1 2 293.342 1.227 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001185048987 919380391 /nfs/dbraw/zinc/38/03/91/919380391.db2.gz HFZZTZCNOKTGOF-WCQYABFASA-N 1 2 292.383 1.671 20 30 CDEDLO C=CCCCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nc(C)no2)C1 ZINC001185280856 919518639 /nfs/dbraw/zinc/51/86/39/919518639.db2.gz ZUJSWEADGKWRTG-WCQYABFASA-N 1 2 292.383 1.986 20 30 CDEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001139092779 936594709 /nfs/dbraw/zinc/59/47/09/936594709.db2.gz HOOYJVPJIQBBGE-NSHDSACASA-N 1 2 254.297 1.212 20 30 CDEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccnc(N3CCOCC3)c2)C1 ZINC001137440925 936598733 /nfs/dbraw/zinc/59/87/33/936598733.db2.gz MCQCTTPLNYYYLU-INIZCTEOSA-N 1 2 286.379 1.654 20 30 CDEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccnc(N3CCOCC3)c2)C1 ZINC001137440925 936598735 /nfs/dbraw/zinc/59/87/35/936598735.db2.gz MCQCTTPLNYYYLU-INIZCTEOSA-N 1 2 286.379 1.654 20 30 CDEDLO C[N@H+](C1COC1)C1CN(Cc2ccc(C#N)c(F)c2)C1 ZINC001139529018 936626340 /nfs/dbraw/zinc/62/63/40/936626340.db2.gz DRSIBOUQUFBYTF-UHFFFAOYSA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@@H+](C1COC1)C1CN(Cc2ccc(C#N)c(F)c2)C1 ZINC001139529018 936626341 /nfs/dbraw/zinc/62/63/41/936626341.db2.gz DRSIBOUQUFBYTF-UHFFFAOYSA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3cccc(Cl)c3C#N)C[C@H]21 ZINC001139688677 936636004 /nfs/dbraw/zinc/63/60/04/936636004.db2.gz RMLUWISIUDXNME-CABCVRRESA-N 1 2 291.782 1.726 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3cccc(Cl)c3C#N)C[C@H]21 ZINC001139688677 936636005 /nfs/dbraw/zinc/63/60/05/936636005.db2.gz RMLUWISIUDXNME-CABCVRRESA-N 1 2 291.782 1.726 20 30 CDEDLO C[N@H+](C1COC1)C1CN(Cc2cc(F)cc(C#N)c2)C1 ZINC001139875600 936655130 /nfs/dbraw/zinc/65/51/30/936655130.db2.gz WAZVOOZZHDBITO-UHFFFAOYSA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@@H+](C1COC1)C1CN(Cc2cc(F)cc(C#N)c2)C1 ZINC001139875600 936655131 /nfs/dbraw/zinc/65/51/31/936655131.db2.gz WAZVOOZZHDBITO-UHFFFAOYSA-N 1 2 275.327 1.212 20 30 CDEDLO CC(C)C#CC(=O)N1CC[C@H]([N@H+](C)Cc2nccs2)C1 ZINC001190047099 921810385 /nfs/dbraw/zinc/81/03/85/921810385.db2.gz NZNAIDGLFMQKDS-ZDUSSCGKSA-N 1 2 291.420 1.835 20 30 CDEDLO CC(C)C#CC(=O)N1CC[C@H]([N@@H+](C)Cc2nccs2)C1 ZINC001190047099 921810395 /nfs/dbraw/zinc/81/03/95/921810395.db2.gz NZNAIDGLFMQKDS-ZDUSSCGKSA-N 1 2 291.420 1.835 20 30 CDEDLO C[C@H](C#N)N(C)C(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190098200 921822738 /nfs/dbraw/zinc/82/27/38/921822738.db2.gz VFYKUCQWEKDVKA-LLVKDONJSA-N 1 2 254.293 1.856 20 30 CDEDLO C#CCN1C[C@@]2(F)C[N@@H+](CCC/C=C\CC)C[C@@]2(F)C1=O ZINC001273116469 922070619 /nfs/dbraw/zinc/07/06/19/922070619.db2.gz OXFMFCYVEXOEPS-LGZALOBFSA-N 1 2 296.361 1.940 20 30 CDEDLO C#CCN1C[C@@]2(F)C[N@H+](CCC/C=C\CC)C[C@@]2(F)C1=O ZINC001273116469 922070634 /nfs/dbraw/zinc/07/06/34/922070634.db2.gz OXFMFCYVEXOEPS-LGZALOBFSA-N 1 2 296.361 1.940 20 30 CDEDLO C[C@@]1(O)COCC[N@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140752811 936750680 /nfs/dbraw/zinc/75/06/80/936750680.db2.gz OSNQHPXAIYLMBQ-AWEZNQCLSA-N 1 2 282.290 1.420 20 30 CDEDLO C[C@@]1(O)COCC[N@@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140752811 936750681 /nfs/dbraw/zinc/75/06/81/936750681.db2.gz 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2 267.288 1.793 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](CO)C2)c1F ZINC001143169967 937127927 /nfs/dbraw/zinc/12/79/27/937127927.db2.gz ASVMTWWUIZQWFS-SECBINFHSA-N 1 2 252.264 1.651 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](CO)C2)c1F ZINC001143169967 937127928 /nfs/dbraw/zinc/12/79/28/937127928.db2.gz ASVMTWWUIZQWFS-SECBINFHSA-N 1 2 252.264 1.651 20 30 CDEDLO C=C(Cl)C[NH2+]CCNC(=O)c1n[nH]c2ccccc21 ZINC001149675469 937199487 /nfs/dbraw/zinc/19/94/87/937199487.db2.gz VNEHMRWEUXXMGH-UHFFFAOYSA-N 1 2 278.743 1.635 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853509411 928032185 /nfs/dbraw/zinc/03/21/85/928032185.db2.gz VKFLJZSCNPFWAI-LLVKDONJSA-N 1 2 285.307 1.764 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853509411 928032200 /nfs/dbraw/zinc/03/22/00/928032200.db2.gz VKFLJZSCNPFWAI-LLVKDONJSA-N 1 2 285.307 1.764 20 30 CDEDLO N#CC1(c2cc[nH+]c(NC[C@@H](O)C(F)(F)F)c2)CC1 ZINC001169455465 928045931 /nfs/dbraw/zinc/04/59/31/928045931.db2.gz JAHWEBKYHTZHML-SECBINFHSA-N 1 2 271.242 1.972 20 30 CDEDLO O=C(C=CNc1ccc2c([nH+]1)NCCO2)C(F)(F)F ZINC001169480418 928062617 /nfs/dbraw/zinc/06/26/17/928062617.db2.gz HODUCWBSQVXCPD-ONEGZZNKSA-N 1 2 273.214 1.943 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccnc(C)c2)CC1 ZINC000856745780 928620925 /nfs/dbraw/zinc/62/09/25/928620925.db2.gz LIYYIMFHSXRPET-UHFFFAOYSA-N 1 2 273.336 1.669 20 30 CDEDLO C#CCCCC(=O)N[C@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001108921925 928725150 /nfs/dbraw/zinc/72/51/50/928725150.db2.gz VWQIMVZGZFAPNI-GFCCVEGCSA-N 1 2 274.368 1.529 20 30 CDEDLO Cc1csc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 ZINC001206641035 937283341 /nfs/dbraw/zinc/28/33/41/937283341.db2.gz NVKBEEMLLUMLRY-HOSYDEDBSA-N 1 2 292.408 1.548 20 30 CDEDLO Cc1csc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 ZINC001206641035 937283343 /nfs/dbraw/zinc/28/33/43/937283343.db2.gz NVKBEEMLLUMLRY-HOSYDEDBSA-N 1 2 292.408 1.548 20 30 CDEDLO C=CCCC[NH+]1CCN(C(=O)c2cc(CC)[nH]n2)CC1 ZINC001112620555 929261497 /nfs/dbraw/zinc/26/14/97/929261497.db2.gz GDQRUOBUPORRDZ-UHFFFAOYSA-N 1 2 276.384 1.696 20 30 CDEDLO Cc1ccc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c(C#N)n1 ZINC000882350844 929982043 /nfs/dbraw/zinc/98/20/43/929982043.db2.gz LEJHHROVVVOHKN-UONOGXRCSA-N 1 2 286.379 1.561 20 30 CDEDLO COCC[NH+]1CCN(C(=O)c2ccc(C)c(C#N)c2)CC1 ZINC000799630475 937393565 /nfs/dbraw/zinc/39/35/65/937393565.db2.gz ICJDIINXGADGGQ-UHFFFAOYSA-N 1 2 287.363 1.271 20 30 CDEDLO CC[N@H+](Cc1nocc1C)[C@H](C)CNC(=O)C#CC(C)C ZINC001153214267 937430159 /nfs/dbraw/zinc/43/01/59/937430159.db2.gz LUBLQZYNYSQSPO-CQSZACIVSA-N 1 2 291.395 1.969 20 30 CDEDLO CC[N@@H+](Cc1nocc1C)[C@H](C)CNC(=O)C#CC(C)C ZINC001153214267 937430160 /nfs/dbraw/zinc/43/01/60/937430160.db2.gz LUBLQZYNYSQSPO-CQSZACIVSA-N 1 2 291.395 1.969 20 30 CDEDLO CCOC(=O)c1c(C[N@@H+]2CCC[C@H](CC#N)C2)cnn1C ZINC001136908680 931475150 /nfs/dbraw/zinc/47/51/50/931475150.db2.gz NAOZDUWGSHYCOT-GFCCVEGCSA-N 1 2 290.367 1.722 20 30 CDEDLO CCOC(=O)c1c(C[N@H+]2CCC[C@H](CC#N)C2)cnn1C ZINC001136908680 931475152 /nfs/dbraw/zinc/47/51/52/931475152.db2.gz NAOZDUWGSHYCOT-GFCCVEGCSA-N 1 2 290.367 1.722 20 30 CDEDLO NC(=NC(=O)c1cccc2[nH+]ccn21)c1ccc(F)cn1 ZINC001154526161 931477387 /nfs/dbraw/zinc/47/73/87/931477387.db2.gz KSNLQHBRNANHNN-UHFFFAOYSA-N 1 2 283.266 1.414 20 30 CDEDLO C=CC[C@@H](C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001144014929 931626871 /nfs/dbraw/zinc/62/68/71/931626871.db2.gz XYSVGODEFOUVFE-CYBMUJFWSA-N 1 2 292.383 1.366 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3cccc(Cl)c3C#N)C[C@@H]21 ZINC001275363392 931751328 /nfs/dbraw/zinc/75/13/28/931751328.db2.gz RMLUWISIUDXNME-GJZGRUSLSA-N 1 2 291.782 1.726 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3cccc(Cl)c3C#N)C[C@@H]21 ZINC001275363392 931751332 /nfs/dbraw/zinc/75/13/32/931751332.db2.gz RMLUWISIUDXNME-GJZGRUSLSA-N 1 2 291.782 1.726 20 30 CDEDLO C[N@@H+]1CCC12CN(C(=O)c1cc(F)cc(C#N)c1)C2 ZINC001275396598 931769330 /nfs/dbraw/zinc/76/93/30/931769330.db2.gz NRRTVTBBXIRCMW-UHFFFAOYSA-N 1 2 259.284 1.227 20 30 CDEDLO C[N@H+]1CCC12CN(C(=O)c1cc(F)cc(C#N)c1)C2 ZINC001275396598 931769333 /nfs/dbraw/zinc/76/93/33/931769333.db2.gz NRRTVTBBXIRCMW-UHFFFAOYSA-N 1 2 259.284 1.227 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc(O)c(F)c2)CC1 ZINC001144625646 931923066 /nfs/dbraw/zinc/92/30/66/931923066.db2.gz IVMDCRUOMOYNAH-UHFFFAOYSA-N 1 2 278.327 1.404 20 30 CDEDLO C[C@@H](C[C@H](C)NC(=O)CCCn1cc[nH+]c1)NCC#N ZINC001146706180 932285678 /nfs/dbraw/zinc/28/56/78/932285678.db2.gz AIXZMDLUAYVPOA-STQMWFEESA-N 1 2 277.372 1.060 20 30 CDEDLO C=CCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nc(C)no1)C2 ZINC001147159792 932430613 /nfs/dbraw/zinc/43/06/13/932430613.db2.gz ZIPQRTLRKFJYDQ-UHFFFAOYSA-N 1 2 290.367 1.379 20 30 CDEDLO C=CCCC(=O)N1CC2(C1)CC[N@H+](Cc1nc(C)no1)C2 ZINC001147159792 932430615 /nfs/dbraw/zinc/43/06/15/932430615.db2.gz ZIPQRTLRKFJYDQ-UHFFFAOYSA-N 1 2 290.367 1.379 20 30 CDEDLO Cc1cnc(CCNc2cc(CC#N)cc[nH+]2)nc1 ZINC001154868126 937596973 /nfs/dbraw/zinc/59/69/73/937596973.db2.gz YDQCEMNQLNLVGZ-UHFFFAOYSA-N 1 2 253.309 1.901 20 30 CDEDLO CC(C)Oc1ccc(C(=O)NCCn2cc[nH+]c2)cc1C#N ZINC001148768291 932789106 /nfs/dbraw/zinc/78/91/06/932789106.db2.gz GKADHQVHPJPOAU-UHFFFAOYSA-N 1 2 298.346 1.972 20 30 CDEDLO Cc1cc(N[C@@H]2C(=O)N(O)C[C@@H]2C)ccc1[NH+](C)C ZINC001171368226 932883423 /nfs/dbraw/zinc/88/34/23/932883423.db2.gz BGOXIUNTWQUUHT-GWCFXTLKSA-N 1 2 263.341 1.709 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(C)cc(C)n2)C1=O ZINC000930310974 933355899 /nfs/dbraw/zinc/35/58/99/933355899.db2.gz VKMQORKQGHFFLM-OAHLLOKOSA-N 1 2 273.380 1.917 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(C)cc(C)n2)C1=O ZINC000930310974 933355908 /nfs/dbraw/zinc/35/59/08/933355908.db2.gz VKMQORKQGHFFLM-OAHLLOKOSA-N 1 2 273.380 1.917 20 30 CDEDLO Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC000932164287 933674955 /nfs/dbraw/zinc/67/49/55/933674955.db2.gz YYCDSDPBXOOHKT-LSDHHAIUSA-N 1 2 274.364 1.970 20 30 CDEDLO Cc1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC000932164287 933674958 /nfs/dbraw/zinc/67/49/58/933674958.db2.gz YYCDSDPBXOOHKT-LSDHHAIUSA-N 1 2 274.364 1.970 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N(C)C[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001120093269 937780546 /nfs/dbraw/zinc/78/05/46/937780546.db2.gz JNICBWZRXNHDQN-RYUDHWBXSA-N 1 2 290.367 1.082 20 30 CDEDLO C=C[C@H](O)C[N@@H+]1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001253579530 935252151 /nfs/dbraw/zinc/25/21/51/935252151.db2.gz QVOZYXWURMWXFF-JSGCOSHPSA-N 1 2 281.377 1.082 20 30 CDEDLO C=C[C@H](O)C[N@H+]1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001253579530 935252154 /nfs/dbraw/zinc/25/21/54/935252154.db2.gz QVOZYXWURMWXFF-JSGCOSHPSA-N 1 2 281.377 1.082 20 30 CDEDLO C=CC[N@H+]1CCC[C@H](NC(=O)c2snnc2CC)C1 ZINC001007829635 935392222 /nfs/dbraw/zinc/39/22/22/935392222.db2.gz JCLHZQIAUFOVRZ-JTQLQIEISA-N 1 2 280.397 1.481 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)c2snnc2CC)C1 ZINC001007829635 935392227 /nfs/dbraw/zinc/39/22/27/935392227.db2.gz JCLHZQIAUFOVRZ-JTQLQIEISA-N 1 2 280.397 1.481 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]nc1C(C)C ZINC001017699398 935647453 /nfs/dbraw/zinc/64/74/53/935647453.db2.gz ZATZLOUQOVYUSH-BETUJISGSA-N 1 2 286.379 1.455 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]nc1C(C)C ZINC001017699398 935647455 /nfs/dbraw/zinc/64/74/55/935647455.db2.gz ZATZLOUQOVYUSH-BETUJISGSA-N 1 2 286.379 1.455 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OC)C(C)C ZINC001017898265 935654651 /nfs/dbraw/zinc/65/46/51/935654651.db2.gz YLWAQRDSRDVKMY-ZNMIVQPWSA-N 1 2 278.396 1.356 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OC)C(C)C ZINC001017898265 935654653 /nfs/dbraw/zinc/65/46/53/935654653.db2.gz YLWAQRDSRDVKMY-ZNMIVQPWSA-N 1 2 278.396 1.356 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@H](C)C1 ZINC001018108388 935660255 /nfs/dbraw/zinc/66/02/55/935660255.db2.gz ADCOKJNOSSUIDY-BARDWOONSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@H](C)C1 ZINC001018108388 935660258 /nfs/dbraw/zinc/66/02/58/935660258.db2.gz ADCOKJNOSSUIDY-BARDWOONSA-N 1 2 276.380 1.110 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2C[C@@H](C)CO2)C1 ZINC001043389706 935837796 /nfs/dbraw/zinc/83/77/96/935837796.db2.gz VGEIZZAONVZGKB-DGCLKSJQSA-N 1 2 252.358 1.130 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC001043419913 935838587 /nfs/dbraw/zinc/83/85/87/935838587.db2.gz MQJDLDXZKCMBBK-GJZGRUSLSA-N 1 2 278.396 1.663 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccon2)C1 ZINC001046157693 935929656 /nfs/dbraw/zinc/92/96/56/935929656.db2.gz XJOZSSBAODSEEA-LBPRGKRZSA-N 1 2 269.732 1.621 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccon2)C1 ZINC001046157693 935929657 /nfs/dbraw/zinc/92/96/57/935929657.db2.gz XJOZSSBAODSEEA-LBPRGKRZSA-N 1 2 269.732 1.621 20 30 CDEDLO COCC#CCOC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000780093670 936052593 /nfs/dbraw/zinc/05/25/93/936052593.db2.gz ZMCFSWJUXFUYKB-AWEZNQCLSA-N 1 2 261.321 1.482 20 30 CDEDLO N#CC[C@@]1(O)CCN(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC001413567565 936194729 /nfs/dbraw/zinc/19/47/29/936194729.db2.gz KTYDTWSFASMCCB-CQSZACIVSA-N 1 2 285.307 1.217 20 30 CDEDLO C=C(C)CONC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001123660495 936196464 /nfs/dbraw/zinc/19/64/64/936196464.db2.gz RXYWBNAYODJFMD-UHFFFAOYSA-N 1 2 278.356 1.817 20 30 CDEDLO CC#CCCCC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001096974484 936244236 /nfs/dbraw/zinc/24/42/36/936244236.db2.gz RTSUOVBILTYMOA-AWEZNQCLSA-N 1 2 286.379 1.991 20 30 CDEDLO C#CCN(CC)c1nnc([C@H]2CCCC[N@@H+]2C)n1CC ZINC001121879526 937886870 /nfs/dbraw/zinc/88/68/70/937886870.db2.gz QATORNILMFBREB-CYBMUJFWSA-N 1 2 275.400 1.914 20 30 CDEDLO C#CCN(CC)c1nnc([C@H]2CCCC[N@H+]2C)n1CC ZINC001121879526 937886871 /nfs/dbraw/zinc/88/68/71/937886871.db2.gz QATORNILMFBREB-CYBMUJFWSA-N 1 2 275.400 1.914 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1ccc(COC2CCC2)cn1 ZINC001156331995 938352923 /nfs/dbraw/zinc/35/29/23/938352923.db2.gz COZFVDCZCZZGMZ-ZDUSSCGKSA-N 1 2 272.352 1.452 20 30 CDEDLO N#C[C@H]1CC[C@H](NC(=O)c2ccc3[nH+]c(N)[nH]c3c2)CC1 ZINC001156975540 938441238 /nfs/dbraw/zinc/44/12/38/938441238.db2.gz PFYSPGNZYRNLNZ-HOMQSWHASA-N 1 2 283.335 1.957 20 30 CDEDLO C=CCOCC[NH2+]CCCNC(=O)C(F)C(F)(F)F ZINC001158462837 938627865 /nfs/dbraw/zinc/62/78/65/938627865.db2.gz KFMGBWAXEAIKIU-VIFPVBQESA-N 1 2 286.269 1.185 20 30 CDEDLO C=CCOCC[NH2+]CCCNC(=O)[C@H](F)C(F)(F)F ZINC001158462837 938627866 /nfs/dbraw/zinc/62/78/66/938627866.db2.gz KFMGBWAXEAIKIU-VIFPVBQESA-N 1 2 286.269 1.185 20 30 CDEDLO Cc1nc(N(C)C)cc(NC=CC(=O)C(F)(F)F)[nH+]1 ZINC001158557119 938635810 /nfs/dbraw/zinc/63/58/10/938635810.db2.gz WMRPQNNJXARRNT-SNAWJCMRSA-N 1 2 274.246 1.908 20 30 CDEDLO C[N@@H+]1CCOC[C@@H]1CNc1cc(Cl)cc(C#N)n1 ZINC001158702386 938652335 /nfs/dbraw/zinc/65/23/35/938652335.db2.gz PXKSYIWHTAQANQ-NSHDSACASA-N 1 2 266.732 1.349 20 30 CDEDLO C[N@H+]1CCOC[C@@H]1CNc1cc(Cl)cc(C#N)n1 ZINC001158702386 938652337 /nfs/dbraw/zinc/65/23/37/938652337.db2.gz PXKSYIWHTAQANQ-NSHDSACASA-N 1 2 266.732 1.349 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCc3ccccc3N2)CC1 ZINC001160436591 938786708 /nfs/dbraw/zinc/78/67/08/938786708.db2.gz LFTAGJMFUDCQCD-INIZCTEOSA-N 1 2 285.391 1.744 20 30 CDEDLO N#Cc1c(F)ccnc1N[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC001160723402 938820289 /nfs/dbraw/zinc/82/02/89/938820289.db2.gz GOHXKBSQEAFDQJ-ZIAGYGMSSA-N 1 2 290.342 1.758 20 30 CDEDLO Cc1cccc2ccc(N3CC[NH2+]C[C@H]3C#N)nc12 ZINC001164624014 939499916 /nfs/dbraw/zinc/49/99/16/939499916.db2.gz BEEVZXIVUFQDKE-CYBMUJFWSA-N 1 2 252.321 1.845 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@H](F)Oc1cccc(Cl)n1 ZINC001164652952 939502477 /nfs/dbraw/zinc/50/24/77/939502477.db2.gz WDBUBBRVJRMBCO-KCJUWKMLSA-N 1 2 270.695 1.164 20 30 CDEDLO Cc1cc2ccncc2nc1N1CC[NH2+]C[C@H]1C#N ZINC001164661827 939502953 /nfs/dbraw/zinc/50/29/53/939502953.db2.gz PPTFKRGBXHEQMO-GFCCVEGCSA-N 1 2 253.309 1.240 20 30 CDEDLO Cc1nc(N2CCN(CCC#N)CC2)cc(C(C)C)[nH+]1 ZINC001165055810 939505012 /nfs/dbraw/zinc/50/50/12/939505012.db2.gz FHKWJMIZMQDFCG-UHFFFAOYSA-N 1 2 273.384 1.944 20 30 CDEDLO Cc1nc(N2CCN(CCC#N)CC2)c2c([nH+]1)CCC2 ZINC001165056756 939505178 /nfs/dbraw/zinc/50/51/78/939505178.db2.gz GKVKPPDDCONNAT-UHFFFAOYSA-N 1 2 271.368 1.309 20 30 CDEDLO Cc1ccc(CC#N)c(N2CCN(C)C(=O)[C@@H]2C)[nH+]1 ZINC001167038144 939675106 /nfs/dbraw/zinc/67/51/06/939675106.db2.gz SVNVXGKHUNBHIP-NSHDSACASA-N 1 2 258.325 1.123 20 30 CDEDLO C[C@@H]1C[NH+](C2CN(Cc3ccc(C#N)cc3)C2)C[C@@H](C)O1 ZINC001203907143 939713239 /nfs/dbraw/zinc/71/32/39/939713239.db2.gz OFRLYDMBFNHKSM-ZIAGYGMSSA-N 1 2 285.391 1.852 20 30 CDEDLO C[C@@H]1CN(C2C[NH+](Cc3ccc(C#N)cc3)C2)C[C@@H](C)O1 ZINC001203907143 939713241 /nfs/dbraw/zinc/71/32/41/939713241.db2.gz OFRLYDMBFNHKSM-ZIAGYGMSSA-N 1 2 285.391 1.852 20 30 CDEDLO CC(=O)N1CCC2(C[NH+](Cc3ccccc3C#N)C2)C1 ZINC001204371023 939761207 /nfs/dbraw/zinc/76/12/07/939761207.db2.gz RHPCXYMMDYRINS-UHFFFAOYSA-N 1 2 269.348 1.612 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001206489895 940049245 /nfs/dbraw/zinc/04/92/45/940049245.db2.gz BKRRLTDURYSPNP-TZMCWYRMSA-N 1 2 276.384 1.323 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001206489895 940049249 /nfs/dbraw/zinc/04/92/49/940049249.db2.gz BKRRLTDURYSPNP-TZMCWYRMSA-N 1 2 276.384 1.323 20 30 CDEDLO COC(=O)[C@H]([NH3+])c1ccc(-c2cnc(C#N)c(F)c2)cc1 ZINC001238991747 945299947 /nfs/dbraw/zinc/29/99/47/945299947.db2.gz CMXRDXLANFWEPT-CQSZACIVSA-N 1 2 285.278 1.932 20 30 CDEDLO O=C1C=C2C[N@@H+](C[C@H]3CCCOC3)CC[C@H]2S1 ZINC001207465505 940202150 /nfs/dbraw/zinc/20/21/50/940202150.db2.gz XDDUXUVSWLHQFP-ZYHUDNBSSA-N 1 2 253.367 1.687 20 30 CDEDLO O=C1C=C2C[N@H+](C[C@H]3CCCOC3)CC[C@H]2S1 ZINC001207465505 940202151 /nfs/dbraw/zinc/20/21/51/940202151.db2.gz XDDUXUVSWLHQFP-ZYHUDNBSSA-N 1 2 253.367 1.687 20 30 CDEDLO N#Cc1ccc(N2CCC[N@H+](Cc3ccon3)CC2)nc1 ZINC001209564805 940609712 /nfs/dbraw/zinc/60/97/12/940609712.db2.gz WFUAHAISVIZGQX-UHFFFAOYSA-N 1 2 283.335 1.654 20 30 CDEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3ccon3)CC2)nc1 ZINC001209564805 940609714 /nfs/dbraw/zinc/60/97/14/940609714.db2.gz WFUAHAISVIZGQX-UHFFFAOYSA-N 1 2 283.335 1.654 20 30 CDEDLO Cn1cnc(C#N)c1Nc1ccccc1C[NH+]1CCOCC1 ZINC001209927294 940652259 /nfs/dbraw/zinc/65/22/59/940652259.db2.gz SGDZTVKBGMEHKJ-UHFFFAOYSA-N 1 2 297.362 1.868 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(=C)C)[C@H](OC)C1 ZINC001213258645 940764544 /nfs/dbraw/zinc/76/45/44/940764544.db2.gz YXEOGNXWMCWPQZ-CHWSQXEVSA-N 1 2 264.369 1.037 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C(=C)C)[C@H](OC)C1 ZINC001213258645 940764547 /nfs/dbraw/zinc/76/45/47/940764547.db2.gz YXEOGNXWMCWPQZ-CHWSQXEVSA-N 1 2 264.369 1.037 20 30 CDEDLO N#Cc1cc(Nc2[nH+]cccc2CCO)ccc1N ZINC001213433428 940774921 /nfs/dbraw/zinc/77/49/21/940774921.db2.gz DGCDFBVAYBFCKD-UHFFFAOYSA-N 1 2 254.293 1.814 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CC)CCCC2)[C@H](OC)C1 ZINC001213659679 940782176 /nfs/dbraw/zinc/78/21/76/940782176.db2.gz URWSFHKZZONWDT-ZIAGYGMSSA-N 1 2 278.396 1.405 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CC)CCCC2)[C@H](OC)C1 ZINC001213659679 940782179 /nfs/dbraw/zinc/78/21/79/940782179.db2.gz URWSFHKZZONWDT-ZIAGYGMSSA-N 1 2 278.396 1.405 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(C)(F)F)[C@H](OC)C1 ZINC001213785811 940786429 /nfs/dbraw/zinc/78/64/29/940786429.db2.gz WKXRJYOYTKXBNY-GHMZBOCLSA-N 1 2 288.338 1.116 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C(C)(F)F)[C@H](OC)C1 ZINC001213785811 940786431 /nfs/dbraw/zinc/78/64/31/940786431.db2.gz WKXRJYOYTKXBNY-GHMZBOCLSA-N 1 2 288.338 1.116 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001219332918 941330561 /nfs/dbraw/zinc/33/05/61/941330561.db2.gz LTJFNBXLLXEPHK-CVEARBPZSA-N 1 2 299.374 1.186 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001219332918 941330563 /nfs/dbraw/zinc/33/05/63/941330563.db2.gz LTJFNBXLLXEPHK-CVEARBPZSA-N 1 2 299.374 1.186 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC=C)c2ccccc2)[C@@H](O)C1 ZINC001221029138 941494190 /nfs/dbraw/zinc/49/41/90/941494190.db2.gz LTVYOSYWPZSSTJ-ZACQAIPSSA-N 1 2 298.386 1.141 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC=C)c2ccccc2)[C@@H](O)C1 ZINC001221029138 941494192 /nfs/dbraw/zinc/49/41/92/941494192.db2.gz LTVYOSYWPZSSTJ-ZACQAIPSSA-N 1 2 298.386 1.141 20 30 CDEDLO COC(=O)c1sccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001226266358 941978393 /nfs/dbraw/zinc/97/83/93/941978393.db2.gz UXCKUDQUJLCXGE-ADAFDVPTSA-N 1 2 295.360 1.526 20 30 CDEDLO COC(=O)c1sccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001226266358 941978397 /nfs/dbraw/zinc/97/83/97/941978397.db2.gz UXCKUDQUJLCXGE-ADAFDVPTSA-N 1 2 295.360 1.526 20 30 CDEDLO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cnc1C#N ZINC001227349865 942168477 /nfs/dbraw/zinc/16/84/77/942168477.db2.gz KYZDIPLQVJLHTH-BSRWDCPYSA-N 1 2 271.320 1.253 20 30 CDEDLO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cnc1C#N ZINC001227349865 942168480 /nfs/dbraw/zinc/16/84/80/942168480.db2.gz KYZDIPLQVJLHTH-BSRWDCPYSA-N 1 2 271.320 1.253 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2cc(F)ccc2C#N)C1 ZINC001230639072 942662922 /nfs/dbraw/zinc/66/29/22/942662922.db2.gz NJWSAFDYOYLHJF-GFCCVEGCSA-N 1 2 250.273 1.407 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2cc(F)ccc2C#N)C1 ZINC001230639072 942662925 /nfs/dbraw/zinc/66/29/25/942662925.db2.gz NJWSAFDYOYLHJF-GFCCVEGCSA-N 1 2 250.273 1.407 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCCC ZINC001230795053 942699789 /nfs/dbraw/zinc/69/97/89/942699789.db2.gz CJOKPQDCCITSTN-ZIAGYGMSSA-N 1 2 295.427 1.400 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC ZINC001230795053 942699791 /nfs/dbraw/zinc/69/97/91/942699791.db2.gz CJOKPQDCCITSTN-ZIAGYGMSSA-N 1 2 295.427 1.400 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CSC(C)C ZINC001230822716 942705048 /nfs/dbraw/zinc/70/50/48/942705048.db2.gz BCLKFGDROCLTGA-CQSZACIVSA-N 1 2 298.452 1.311 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CSC(C)C ZINC001230822716 942705053 /nfs/dbraw/zinc/70/50/53/942705053.db2.gz BCLKFGDROCLTGA-CQSZACIVSA-N 1 2 298.452 1.311 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4c(c3)NC(=O)C4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230948557 942739310 /nfs/dbraw/zinc/73/93/10/942739310.db2.gz AOONYYYEPLFOGW-UCHAVSLVSA-N 1 2 286.331 1.172 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4c(c3)NC(=O)C4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230948557 942739316 /nfs/dbraw/zinc/73/93/16/942739316.db2.gz AOONYYYEPLFOGW-UCHAVSLVSA-N 1 2 286.331 1.172 20 30 CDEDLO Cc1oncc1C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231294674 942846921 /nfs/dbraw/zinc/84/69/21/942846921.db2.gz ZTMACPBMYGWEHO-MFKMUULPSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1oncc1C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231294674 942846925 /nfs/dbraw/zinc/84/69/25/942846925.db2.gz ZTMACPBMYGWEHO-MFKMUULPSA-N 1 2 276.340 1.175 20 30 CDEDLO N#Cc1ccc(CCC[NH+]2CC3(C2)CC[C@@H](C(N)=O)O3)cc1 ZINC001277590291 943068869 /nfs/dbraw/zinc/06/88/69/943068869.db2.gz XZOUFHTVVZBFOB-HNNXBMFYSA-N 1 2 299.374 1.210 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ncccc2Br)CC1 ZINC001232165804 943154990 /nfs/dbraw/zinc/15/49/90/943154990.db2.gz LPJBZKNAOLKOQJ-UHFFFAOYSA-N 1 2 294.196 1.595 20 30 CDEDLO N#Cc1ccnc(C[NH+]2CC3(C2)C[C@H](F)CS3)c1 ZINC001232480224 943292784 /nfs/dbraw/zinc/29/27/84/943292784.db2.gz PEOFYTHHDXYQQC-NSHDSACASA-N 1 2 263.341 1.983 20 30 CDEDLO C[C@@]1(CO)CC[N@H+](Cc2ccc(Cl)cc2C#N)C[C@@H]1O ZINC001232605042 943337308 /nfs/dbraw/zinc/33/73/08/943337308.db2.gz RINUWVCMBXQPQR-GJZGRUSLSA-N 1 2 294.782 1.777 20 30 CDEDLO C[C@@]1(CO)CC[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@@H]1O ZINC001232605042 943337310 /nfs/dbraw/zinc/33/73/10/943337310.db2.gz RINUWVCMBXQPQR-GJZGRUSLSA-N 1 2 294.782 1.777 20 30 CDEDLO COC(C[N@H+](C)Cc1cc(C#N)ccc1O)OC ZINC001232678764 943358176 /nfs/dbraw/zinc/35/81/76/943358176.db2.gz PCCXGKVQCNUZRL-UHFFFAOYSA-N 1 2 250.298 1.315 20 30 CDEDLO COC(C[N@@H+](C)Cc1cc(C#N)ccc1O)OC ZINC001232678764 943358181 /nfs/dbraw/zinc/35/81/81/943358181.db2.gz PCCXGKVQCNUZRL-UHFFFAOYSA-N 1 2 250.298 1.315 20 30 CDEDLO CN1CC2(C1)CC[N@H+](Cc1cc(C#N)ccc1O)C2 ZINC001232677443 943360670 /nfs/dbraw/zinc/36/06/70/943360670.db2.gz DGYTUKWZHFHNJU-UHFFFAOYSA-N 1 2 257.337 1.401 20 30 CDEDLO CN1CC2(C1)CC[N@@H+](Cc1cc(C#N)ccc1O)C2 ZINC001232677443 943360675 /nfs/dbraw/zinc/36/06/75/943360675.db2.gz DGYTUKWZHFHNJU-UHFFFAOYSA-N 1 2 257.337 1.401 20 30 CDEDLO CCC1=NC2(CC[NH+](Cc3[nH]ccc3C#N)CC2)C(=O)N1C ZINC001233049862 943477811 /nfs/dbraw/zinc/47/78/11/943477811.db2.gz VNUVGHHPOJDQKP-UHFFFAOYSA-N 1 2 299.378 1.501 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(C#N)cc2O)C1 ZINC001233383672 943570240 /nfs/dbraw/zinc/57/02/40/943570240.db2.gz QLSZNHBUNVEORT-CQSZACIVSA-N 1 2 278.283 1.351 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc(C#N)cc2O)C1 ZINC001233383672 943570244 /nfs/dbraw/zinc/57/02/44/943570244.db2.gz QLSZNHBUNVEORT-CQSZACIVSA-N 1 2 278.283 1.351 20 30 CDEDLO COC[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1O ZINC001233387616 943574652 /nfs/dbraw/zinc/57/46/52/943574652.db2.gz PZHBDSSKSCAQCB-CYBMUJFWSA-N 1 2 262.309 1.111 20 30 CDEDLO COC[C@@H]1COCC[N@H+]1Cc1ccc(C#N)cc1O ZINC001233387616 943574655 /nfs/dbraw/zinc/57/46/55/943574655.db2.gz PZHBDSSKSCAQCB-CYBMUJFWSA-N 1 2 262.309 1.111 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(F)=C(C)C ZINC001233662697 943630868 /nfs/dbraw/zinc/63/08/68/943630868.db2.gz GPKHUUXDMTZFBB-GFCCVEGCSA-N 1 2 252.333 1.806 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(F)=C(C)C ZINC001233662697 943630869 /nfs/dbraw/zinc/63/08/69/943630869.db2.gz GPKHUUXDMTZFBB-GFCCVEGCSA-N 1 2 252.333 1.806 20 30 CDEDLO C=CCCOCC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001262833847 943700767 /nfs/dbraw/zinc/70/07/67/943700767.db2.gz KFYQZPDTBZXAJK-UHFFFAOYSA-N 1 2 277.368 1.719 20 30 CDEDLO CC[C@H](F)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234162861 943760647 /nfs/dbraw/zinc/76/06/47/943760647.db2.gz VWJALDISRHMGOO-UONOGXRCSA-N 1 2 268.376 1.927 20 30 CDEDLO CC[C@H](F)C[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234162861 943760651 /nfs/dbraw/zinc/76/06/51/943760651.db2.gz VWJALDISRHMGOO-UONOGXRCSA-N 1 2 268.376 1.927 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C(C)C ZINC001234544763 943886564 /nfs/dbraw/zinc/88/65/64/943886564.db2.gz CYQLJMOWCPLUIW-CYBMUJFWSA-N 1 2 250.386 1.835 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C(C)C ZINC001234544763 943886568 /nfs/dbraw/zinc/88/65/68/943886568.db2.gz CYQLJMOWCPLUIW-CYBMUJFWSA-N 1 2 250.386 1.835 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cnn(C)c1 ZINC001234605115 943912781 /nfs/dbraw/zinc/91/27/81/943912781.db2.gz ZLDWZUSMVUULSB-HNNXBMFYSA-N 1 2 290.411 1.809 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cnn(C)c1 ZINC001234605115 943912784 /nfs/dbraw/zinc/91/27/84/943912784.db2.gz ZLDWZUSMVUULSB-HNNXBMFYSA-N 1 2 290.411 1.809 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Oc1ccccc1C=NO ZINC001234821156 943954379 /nfs/dbraw/zinc/95/43/79/943954379.db2.gz DNSLDPUSYMJDJE-LBPRGKRZSA-N 1 2 264.325 1.594 20 30 CDEDLO COc1cc(C#N)cc(C)c1OC[C@@H]1C[N@H+](C)CCO1 ZINC001234864822 943961925 /nfs/dbraw/zinc/96/19/25/943961925.db2.gz JEEBXCBFZFDKRG-ZDUSSCGKSA-N 1 2 276.336 1.585 20 30 CDEDLO COc1cc(C#N)cc(C)c1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001234864822 943961927 /nfs/dbraw/zinc/96/19/27/943961927.db2.gz JEEBXCBFZFDKRG-ZDUSSCGKSA-N 1 2 276.336 1.585 20 30 CDEDLO COC[C@H]1COCC[N@@H+]1Cc1ccccc1CC#N ZINC001235524195 944187030 /nfs/dbraw/zinc/18/70/30/944187030.db2.gz BMZFEFRGCQYEHT-HNNXBMFYSA-N 1 2 260.337 1.600 20 30 CDEDLO COC[C@H]1COCC[N@H+]1Cc1ccccc1CC#N ZINC001235524195 944187034 /nfs/dbraw/zinc/18/70/34/944187034.db2.gz BMZFEFRGCQYEHT-HNNXBMFYSA-N 1 2 260.337 1.600 20 30 CDEDLO Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001265284533 944319041 /nfs/dbraw/zinc/31/90/41/944319041.db2.gz RWKWEILJZIFVMR-CYBMUJFWSA-N 1 2 288.395 1.160 20 30 CDEDLO Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001265284533 944319051 /nfs/dbraw/zinc/31/90/51/944319051.db2.gz RWKWEILJZIFVMR-CYBMUJFWSA-N 1 2 288.395 1.160 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2ccnc(C#N)c2)Cc2ncn(C)c21 ZINC001237466468 944799732 /nfs/dbraw/zinc/79/97/32/944799732.db2.gz YLDDFGARPJTGLZ-CYBMUJFWSA-N 1 2 297.362 1.433 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)Cc2ncn(C)c21 ZINC001237466468 944799738 /nfs/dbraw/zinc/79/97/38/944799738.db2.gz YLDDFGARPJTGLZ-CYBMUJFWSA-N 1 2 297.362 1.433 20 30 CDEDLO N#Cc1ccc(C[NH+]2CC3(C[C@H]3C(N)=O)C2)c(F)c1 ZINC001278306488 945670254 /nfs/dbraw/zinc/67/02/54/945670254.db2.gz UURTYEIRNQLEBH-NSHDSACASA-N 1 2 259.284 1.005 20 30 CDEDLO COC(=O)[C@H]([NH3+])c1ccc(-c2ccc(N)c(C#N)c2)cc1 ZINC001244117141 947329915 /nfs/dbraw/zinc/32/99/15/947329915.db2.gz DLCWWOXAXOYYIY-OAHLLOKOSA-N 1 2 281.315 1.980 20 30 CDEDLO C#CC[NH+]1CCN([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254560530 947524180 /nfs/dbraw/zinc/52/41/80/947524180.db2.gz VCEUAZWGOVBEOJ-AWEZNQCLSA-N 1 2 287.363 1.777 20 30 CDEDLO CC[C@H](C(=O)NCC1(C#N)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001362584666 971428432 /nfs/dbraw/zinc/42/84/32/971428432.db2.gz RIHKPINRBUIXSY-QWHCGFSZSA-N 1 2 279.384 1.296 20 30 CDEDLO CC[C@H](C(=O)NCC1(C#N)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC001362584666 971428437 /nfs/dbraw/zinc/42/84/37/971428437.db2.gz RIHKPINRBUIXSY-QWHCGFSZSA-N 1 2 279.384 1.296 20 30 CDEDLO Cn1c(CC#N)nnc1SCc1cc[nH+]c(N)c1 ZINC001256588585 948357220 /nfs/dbraw/zinc/35/72/20/948357220.db2.gz PUDSSFMKOUNNCW-UHFFFAOYSA-N 1 2 260.326 1.151 20 30 CDEDLO C[C@H](c1nc(-c2ccc(C#N)cn2)no1)n1cc[nH+]c1 ZINC001247257570 948608257 /nfs/dbraw/zinc/60/82/57/948608257.db2.gz QWQYWVKGGQKCDJ-SECBINFHSA-N 1 2 266.264 1.809 20 30 CDEDLO C=CCCCNC(=S)N1CC[NH+](CC=C)CC1 ZINC001247730897 948732960 /nfs/dbraw/zinc/73/29/60/948732960.db2.gz WNRZVVQNYRZLRB-UHFFFAOYSA-N 1 2 253.415 1.631 20 30 CDEDLO C=CCOC(=O)N1CC[NH+]([C@@H](C)CCC(=O)OC)CC1 ZINC001258378725 948815302 /nfs/dbraw/zinc/81/53/02/948815302.db2.gz DVDUZQUVTAVILL-LBPRGKRZSA-N 1 2 284.356 1.268 20 30 CDEDLO CCc1cc(C#N)ccc1C[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC001248752031 949126193 /nfs/dbraw/zinc/12/61/93/949126193.db2.gz UKEIIJDXQMENHN-GFCCVEGCSA-N 1 2 271.364 1.783 20 30 CDEDLO CCc1cc(C#N)ccc1C[N@H+]1CCN(C)C(=O)[C@H]1C ZINC001248752031 949126206 /nfs/dbraw/zinc/12/62/06/949126206.db2.gz UKEIIJDXQMENHN-GFCCVEGCSA-N 1 2 271.364 1.783 20 30 CDEDLO C=CCC[C@@H](O)C[NH2+][C@H](CC(C)C)C(=O)OCC ZINC001252613799 951506732 /nfs/dbraw/zinc/50/67/32/951506732.db2.gz BBFPPANCSQKOKX-CHWSQXEVSA-N 1 2 257.374 1.881 20 30 CDEDLO COc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001252889627 951697170 /nfs/dbraw/zinc/69/71/70/951697170.db2.gz APNCSGFKWGJTCJ-CJNGLKHVSA-N 1 2 290.363 1.670 20 30 CDEDLO COc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001252889627 951697177 /nfs/dbraw/zinc/69/71/77/951697177.db2.gz APNCSGFKWGJTCJ-CJNGLKHVSA-N 1 2 290.363 1.670 20 30 CDEDLO C=CC[NH+]1CCN(C[C@H](O)COc2ccc(C)cc2)CC1 ZINC001253823450 952139945 /nfs/dbraw/zinc/13/99/45/952139945.db2.gz DLPRQEPLMIKQIB-INIZCTEOSA-N 1 2 290.407 1.538 20 30 CDEDLO CN(C)c1cccc(Cl)c1C=[NH+]OCC(N)=O ZINC001254076613 952184548 /nfs/dbraw/zinc/18/45/48/952184548.db2.gz GFQYLFZBGQSGLA-UHFFFAOYSA-N 1 2 255.705 1.242 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(CC)n[nH]1 ZINC001480843919 971910809 /nfs/dbraw/zinc/91/08/09/971910809.db2.gz FLLRUXXYXOYNTN-UHFFFAOYSA-N 1 2 270.764 1.386 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(CC)n[nH]1 ZINC001480843919 971910811 /nfs/dbraw/zinc/91/08/11/971910811.db2.gz FLLRUXXYXOYNTN-UHFFFAOYSA-N 1 2 270.764 1.386 20 30 CDEDLO C=C[C@H](COC)[NH2+]Cc1cn(-c2ccccc2C)nn1 ZINC001325315834 953832652 /nfs/dbraw/zinc/83/26/52/953832652.db2.gz SRXVXGWORMZKPI-CYBMUJFWSA-N 1 2 272.352 1.866 20 30 CDEDLO Cc1nc(C(C)(C)[NH2+]C[C@H](O)c2cccc(C#N)c2)no1 ZINC001363216254 971987022 /nfs/dbraw/zinc/98/70/22/971987022.db2.gz PBFHSFVFZIDJOC-ZDUSSCGKSA-N 1 2 286.335 1.808 20 30 CDEDLO N#CCc1ccnc(NC(=O)NCc2ccc[nH+]c2N)c1 ZINC001365253308 955778345 /nfs/dbraw/zinc/77/83/45/955778345.db2.gz YTCJHVBANNPVGP-UHFFFAOYSA-N 1 2 282.307 1.447 20 30 CDEDLO Cc1nc(C#N)cc(N(C)Cc2ccc(N)[nH+]c2)n1 ZINC001307090105 956360951 /nfs/dbraw/zinc/36/09/51/956360951.db2.gz ZVMJFUBPNBISJQ-UHFFFAOYSA-N 1 2 254.297 1.270 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1cccnc1 ZINC001422798060 956365368 /nfs/dbraw/zinc/36/53/68/956365368.db2.gz SZFSUTDDBMEVEQ-GFCCVEGCSA-N 1 2 281.787 1.813 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1cccnc1 ZINC001422798060 956365379 /nfs/dbraw/zinc/36/53/79/956365379.db2.gz SZFSUTDDBMEVEQ-GFCCVEGCSA-N 1 2 281.787 1.813 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(OC)ncn1 ZINC001422805532 956372841 /nfs/dbraw/zinc/37/28/41/956372841.db2.gz CVBPAJZSQBQTBE-JTQLQIEISA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc(OC)ncn1 ZINC001422805532 956372850 /nfs/dbraw/zinc/37/28/50/956372850.db2.gz CVBPAJZSQBQTBE-JTQLQIEISA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C(C)C)n1 ZINC001365861598 956410737 /nfs/dbraw/zinc/41/07/37/956410737.db2.gz KVUPKPWHJMCUQA-UHFFFAOYSA-N 1 2 298.774 1.297 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)COc2cccnc2)C1 ZINC001365990847 956494788 /nfs/dbraw/zinc/49/47/88/956494788.db2.gz HVUTVRUROOENPL-LBPRGKRZSA-N 1 2 295.770 1.403 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)COc2cccnc2)C1 ZINC001365990847 956494795 /nfs/dbraw/zinc/49/47/95/956494795.db2.gz HVUTVRUROOENPL-LBPRGKRZSA-N 1 2 295.770 1.403 20 30 CDEDLO Cc1nc([C@@H](C)[NH2+]C[C@H](O)CC(C)(C)C#N)no1 ZINC001331035095 956779920 /nfs/dbraw/zinc/77/99/20/956779920.db2.gz RICPABZTZOOGIO-PSASIEDQSA-N 1 2 252.318 1.329 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)C/C(C)=C\C(=O)OC)n1 ZINC001341411051 956796670 /nfs/dbraw/zinc/79/66/70/956796670.db2.gz JZNMFHBRAVVMAZ-RAXLEYEMSA-N 1 2 275.352 1.458 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)C/C(C)=C\C(=O)OC)n1 ZINC001341411051 956796674 /nfs/dbraw/zinc/79/66/74/956796674.db2.gz JZNMFHBRAVVMAZ-RAXLEYEMSA-N 1 2 275.352 1.458 20 30 CDEDLO CC(F)(F)C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001367994963 958561590 /nfs/dbraw/zinc/56/15/90/958561590.db2.gz WVUNKRGCOPTUST-CYBMUJFWSA-N 1 2 293.317 1.904 20 30 CDEDLO CC(F)(F)C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001367994963 958561612 /nfs/dbraw/zinc/56/16/12/958561612.db2.gz WVUNKRGCOPTUST-CYBMUJFWSA-N 1 2 293.317 1.904 20 30 CDEDLO C#CC[N@@H+](CC(=O)N(C)c1nccs1)CC1CC1 ZINC001320135832 958964502 /nfs/dbraw/zinc/96/45/02/958964502.db2.gz SQJWNVUYYILEJN-UHFFFAOYSA-N 1 2 263.366 1.451 20 30 CDEDLO C#CC[N@H+](CC(=O)N(C)c1nccs1)CC1CC1 ZINC001320135832 958964511 /nfs/dbraw/zinc/96/45/11/958964511.db2.gz SQJWNVUYYILEJN-UHFFFAOYSA-N 1 2 263.366 1.451 20 30 CDEDLO C[C@@H](c1nc(-c2nc[nH]n2)no1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC001434479254 961492100 /nfs/dbraw/zinc/49/21/00/961492100.db2.gz SIGMWEFMVGHGQT-VHSXEESVSA-N 1 2 287.327 1.541 20 30 CDEDLO C[C@@H](c1nc(-c2nc[nH]n2)no1)[N@H+]1CCC[C@H](CC#N)C1 ZINC001434479254 961492115 /nfs/dbraw/zinc/49/21/15/961492115.db2.gz SIGMWEFMVGHGQT-VHSXEESVSA-N 1 2 287.327 1.541 20 30 CDEDLO C#CC[N@@H+](Cc1cn(C)nc1C(=O)OCC)CC1CC1 ZINC001338202808 961689133 /nfs/dbraw/zinc/68/91/33/961689133.db2.gz FWMRQLGDYHFKIN-UHFFFAOYSA-N 1 2 275.352 1.442 20 30 CDEDLO C#CC[N@H+](Cc1cn(C)nc1C(=O)OCC)CC1CC1 ZINC001338202808 961689147 /nfs/dbraw/zinc/68/91/47/961689147.db2.gz FWMRQLGDYHFKIN-UHFFFAOYSA-N 1 2 275.352 1.442 20 30 CDEDLO C=CC[C@@H](NCc1cccc2[nH+]ccn21)C(=O)OCC ZINC001339096941 962168521 /nfs/dbraw/zinc/16/85/21/962168521.db2.gz ZDUIFHOBEFXSDN-CYBMUJFWSA-N 1 2 273.336 1.932 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCc1ccn(C)n1 ZINC001437471626 962940754 /nfs/dbraw/zinc/94/07/54/962940754.db2.gz NDFXNHFZJFPUHC-UHFFFAOYSA-N 1 2 284.791 1.153 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCc1ccn(C)n1 ZINC001437471626 962940763 /nfs/dbraw/zinc/94/07/63/962940763.db2.gz NDFXNHFZJFPUHC-UHFFFAOYSA-N 1 2 284.791 1.153 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](O)C(C)C ZINC001437657098 963100259 /nfs/dbraw/zinc/10/02/59/963100259.db2.gz JXFLMHPEFSURPN-VXGBXAGGSA-N 1 2 274.792 1.336 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](O)C(C)C ZINC001437657098 963100269 /nfs/dbraw/zinc/10/02/69/963100269.db2.gz JXFLMHPEFSURPN-VXGBXAGGSA-N 1 2 274.792 1.336 20 30 CDEDLO C[C@H](C#N)C(=O)NCC[N@H+](C)Cc1cnc(Cl)s1 ZINC001442372692 965013735 /nfs/dbraw/zinc/01/37/35/965013735.db2.gz FASGQOASPYHWFE-MRVPVSSYSA-N 1 2 286.788 1.504 20 30 CDEDLO C[C@H](C#N)C(=O)NCC[N@@H+](C)Cc1cnc(Cl)s1 ZINC001442372692 965013743 /nfs/dbraw/zinc/01/37/43/965013743.db2.gz FASGQOASPYHWFE-MRVPVSSYSA-N 1 2 286.788 1.504 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C1CCOCC1 ZINC001447977275 966945572 /nfs/dbraw/zinc/94/55/72/966945572.db2.gz CIHZEDKTSXCMER-NSHDSACASA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C1CCOCC1 ZINC001447977275 966945578 /nfs/dbraw/zinc/94/55/78/966945578.db2.gz CIHZEDKTSXCMER-NSHDSACASA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C1CCOCC1 ZINC001447977274 966945758 /nfs/dbraw/zinc/94/57/58/966945758.db2.gz CIHZEDKTSXCMER-LLVKDONJSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C1CCOCC1 ZINC001447977274 966945763 /nfs/dbraw/zinc/94/57/63/966945763.db2.gz CIHZEDKTSXCMER-LLVKDONJSA-N 1 2 274.792 1.602 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C#N)ccc1C ZINC001465604325 969884927 /nfs/dbraw/zinc/88/49/27/969884927.db2.gz LHUQPDHYEINKET-UHFFFAOYSA-N 1 2 254.293 1.828 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001372303136 972904471 /nfs/dbraw/zinc/90/44/71/972904471.db2.gz GSLNEITTXWOZJT-UHFFFAOYSA-N 1 2 280.759 1.691 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001372303136 972904478 /nfs/dbraw/zinc/90/44/78/972904478.db2.gz GSLNEITTXWOZJT-UHFFFAOYSA-N 1 2 280.759 1.691 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](CC)NC(C)=O ZINC001372425860 972951127 /nfs/dbraw/zinc/95/11/27/972951127.db2.gz HZVWGEONPLFQPZ-LBPRGKRZSA-N 1 2 289.807 1.092 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](CC)NC(C)=O ZINC001372425860 972951135 /nfs/dbraw/zinc/95/11/35/972951135.db2.gz HZVWGEONPLFQPZ-LBPRGKRZSA-N 1 2 289.807 1.092 20 30 CDEDLO C[C@@H](C#N)C(=O)NC1(C)CC[NH+](Cc2ccon2)CC1 ZINC001375773532 974474086 /nfs/dbraw/zinc/47/40/86/974474086.db2.gz LLBNPODSZWJAEJ-NSHDSACASA-N 1 2 276.340 1.305 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1cnn(C)c1 ZINC001377292300 974962070 /nfs/dbraw/zinc/96/20/70/974962070.db2.gz AOZJMAUKSTUPRE-UHFFFAOYSA-N 1 2 284.791 1.153 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1cnn(C)c1 ZINC001377292300 974962077 /nfs/dbraw/zinc/96/20/77/974962077.db2.gz AOZJMAUKSTUPRE-UHFFFAOYSA-N 1 2 284.791 1.153 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1cccnc1 ZINC001505898614 975030720 /nfs/dbraw/zinc/03/07/20/975030720.db2.gz BTSCDLSJDFJXNB-GFCCVEGCSA-N 1 2 281.787 1.813 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1cccnc1 ZINC001505898614 975030726 /nfs/dbraw/zinc/03/07/26/975030726.db2.gz BTSCDLSJDFJXNB-GFCCVEGCSA-N 1 2 281.787 1.813 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1cnn(C)c1C ZINC001505933677 975051187 /nfs/dbraw/zinc/05/11/87/975051187.db2.gz OYOGVIMBKFIJAZ-LLVKDONJSA-N 1 2 298.818 1.460 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1cnn(C)c1C ZINC001505933677 975051190 /nfs/dbraw/zinc/05/11/90/975051190.db2.gz OYOGVIMBKFIJAZ-LLVKDONJSA-N 1 2 298.818 1.460 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@@H]2CCCOC2)C1 ZINC001378025538 975211554 /nfs/dbraw/zinc/21/15/54/975211554.db2.gz MIGYEGJKHDAZKQ-LBPRGKRZSA-N 1 2 286.803 1.604 20 30 CDEDLO CCc1noc([C@H](C)[NH2+]CCN(CC)C(=O)[C@H](C)C#N)n1 ZINC001379294039 975749061 /nfs/dbraw/zinc/74/90/61/975749061.db2.gz AASPQIDECGORLV-MNOVXSKESA-N 1 2 293.371 1.291 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1[nH]c(=O)[nH]c1C ZINC001379690926 976015174 /nfs/dbraw/zinc/01/51/74/976015174.db2.gz NPZZPEXTKLPVRE-QMMMGPOBSA-N 1 2 286.763 1.226 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1[nH]c(=O)[nH]c1C ZINC001379690926 976015185 /nfs/dbraw/zinc/01/51/85/976015185.db2.gz NPZZPEXTKLPVRE-QMMMGPOBSA-N 1 2 286.763 1.226 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cn(CC)nc1C ZINC001403693044 977147616 /nfs/dbraw/zinc/14/76/16/977147616.db2.gz PBXKSQCTAQVSBR-UHFFFAOYSA-N 1 2 284.791 1.626 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cn(CC)nc1C ZINC001403693044 977147622 /nfs/dbraw/zinc/14/76/22/977147622.db2.gz PBXKSQCTAQVSBR-UHFFFAOYSA-N 1 2 284.791 1.626 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1cc[nH]n1 ZINC001392266743 977295397 /nfs/dbraw/zinc/29/53/97/977295397.db2.gz GDLMDEXQVRWZBA-UHFFFAOYSA-N 1 2 270.764 1.095 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1cc[nH]n1 ZINC001392266743 977295403 /nfs/dbraw/zinc/29/54/03/977295403.db2.gz GDLMDEXQVRWZBA-UHFFFAOYSA-N 1 2 270.764 1.095 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nn(C)cc1Cl ZINC001132573971 1163382073 /nfs/dbraw/zinc/38/20/73/1163382073.db2.gz TZZYOULIURGWQP-WDEREUQCSA-N 1 2 298.818 1.738 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001133154598 1163585918 /nfs/dbraw/zinc/58/59/18/1163585918.db2.gz LYQXFYQPPJMXER-UHFFFAOYSA-N 1 2 265.357 1.854 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1.753 20 30 CDEDLO Cc1cccn2cc(CC(=O)NCCCCC#N)[nH+]c12 ZINC000609141657 342092096 /nfs/dbraw/zinc/09/20/96/342092096.db2.gz BOAFJWICLSJKIY-UHFFFAOYSA-N 1 2 270.336 1.995 20 30 CDEDLO CC[C@@H]([NH2+]CCC#N)c1ccccc1OCC(=O)NC ZINC000591024263 342614436 /nfs/dbraw/zinc/61/44/36/342614436.db2.gz NTSIUDJGQUNYDL-CYBMUJFWSA-N 1 2 275.352 1.766 20 30 CDEDLO N#CCC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000611678084 346845655 /nfs/dbraw/zinc/84/56/55/346845655.db2.gz QZRRHVYPLUGWSX-UHFFFAOYSA-N 1 2 260.341 1.816 20 30 CDEDLO CN(C[C@@H]1C[N@H+](C)CCO1)c1ncc2c(c1C#N)CCC2 ZINC000591820334 342647541 /nfs/dbraw/zinc/64/75/41/342647541.db2.gz MJAZNTFOZCHSSQ-ZDUSSCGKSA-N 1 2 286.379 1.209 20 30 CDEDLO CN(C[C@@H]1C[N@@H+](C)CCO1)c1ncc2c(c1C#N)CCC2 ZINC000591820334 342647542 /nfs/dbraw/zinc/64/75/42/342647542.db2.gz MJAZNTFOZCHSSQ-ZDUSSCGKSA-N 1 2 286.379 1.209 20 30 CDEDLO N#CC[C@]1(O)CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000591975166 342660988 /nfs/dbraw/zinc/66/09/88/342660988.db2.gz GZXPIZXEGGJJHO-AWEZNQCLSA-N 1 2 273.340 1.153 20 30 CDEDLO N#CC[C@]1(O)CCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000591975166 342660989 /nfs/dbraw/zinc/66/09/89/342660989.db2.gz GZXPIZXEGGJJHO-AWEZNQCLSA-N 1 2 273.340 1.153 20 30 CDEDLO CN(C)c1nc(N2CC[C@@](O)(CC#N)C2)[nH+]c2ccccc21 ZINC000591975031 342661034 /nfs/dbraw/zinc/66/10/34/342661034.db2.gz QRVVAKVWFFTGAY-INIZCTEOSA-N 1 2 297.362 1.551 20 30 CDEDLO Cc1cc(N2CC[C@](O)(CC#N)C2)nc(C2CC2)[nH+]1 ZINC000591975728 342661125 /nfs/dbraw/zinc/66/11/25/342661125.db2.gz JIJLLGWMSOKXSK-CQSZACIVSA-N 1 2 258.325 1.517 20 30 CDEDLO Cc1cccc2[nH+]c(CCNC(=O)N(C)C[C@@H](C)C#N)cn21 ZINC000592129225 342667573 /nfs/dbraw/zinc/66/75/73/342667573.db2.gz MURVYBFIEDKIGV-LBPRGKRZSA-N 1 2 299.378 1.986 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000592147343 342667998 /nfs/dbraw/zinc/66/79/98/342667998.db2.gz OKRQSIYJHAMUSC-INIZCTEOSA-N 1 2 280.331 1.661 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000592147343 342667999 /nfs/dbraw/zinc/66/79/99/342667999.db2.gz 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/nfs/dbraw/zinc/86/32/06/342863206.db2.gz GUVPZXBOUBHXDY-VIFPVBQESA-N 1 2 252.343 1.672 20 30 CDEDLO CC1(C#N)C[NH+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000593980434 342864032 /nfs/dbraw/zinc/86/40/32/342864032.db2.gz FHNNJEABWKQVBR-AWEZNQCLSA-N 1 2 283.375 1.994 20 30 CDEDLO C[N@H+](CC(=O)N1CCCC1)Cc1ccc(C#N)cn1 ZINC000593935152 342859174 /nfs/dbraw/zinc/85/91/74/342859174.db2.gz USHGUGQCSJHBSS-UHFFFAOYSA-N 1 2 258.325 1.007 20 30 CDEDLO C[N@@H+](CC(=O)N1CCCC1)Cc1ccc(C#N)cn1 ZINC000593935152 342859175 /nfs/dbraw/zinc/85/91/75/342859175.db2.gz USHGUGQCSJHBSS-UHFFFAOYSA-N 1 2 258.325 1.007 20 30 CDEDLO Cc1nnc(C[N@H+](C)CCOc2ccccc2C#N)o1 ZINC000609389872 342270120 /nfs/dbraw/zinc/27/01/20/342270120.db2.gz OAIHZQVDSLMDFX-UHFFFAOYSA-N 1 2 272.308 1.761 20 30 CDEDLO Cc1nnc(C[N@@H+](C)CCOc2ccccc2C#N)o1 ZINC000609389872 342270121 /nfs/dbraw/zinc/27/01/21/342270121.db2.gz OAIHZQVDSLMDFX-UHFFFAOYSA-N 1 2 272.308 1.761 20 30 CDEDLO C[N@H+](CCCC1(C#N)CCOCC1)Cc1n[nH]c(=O)o1 ZINC000595547021 343084304 /nfs/dbraw/zinc/08/43/04/343084304.db2.gz LCQUVDFOWJDQFS-UHFFFAOYSA-N 1 2 280.328 1.308 20 30 CDEDLO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1n[nH]c(=O)o1 ZINC000595547021 343084305 /nfs/dbraw/zinc/08/43/05/343084305.db2.gz LCQUVDFOWJDQFS-UHFFFAOYSA-N 1 2 280.328 1.308 20 30 CDEDLO C[N@H+](CCCOc1cccc(C#N)c1)Cc1n[nH]c(=O)o1 ZINC000595547738 343084603 /nfs/dbraw/zinc/08/46/03/343084603.db2.gz RIASKUUYOCUFTH-UHFFFAOYSA-N 1 2 288.307 1.548 20 30 CDEDLO C[N@@H+](CCCOc1cccc(C#N)c1)Cc1n[nH]c(=O)o1 ZINC000595547738 343084605 /nfs/dbraw/zinc/08/46/05/343084605.db2.gz RIASKUUYOCUFTH-UHFFFAOYSA-N 1 2 288.307 1.548 20 30 CDEDLO CCC#C[C@@H](C)[N@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000645016718 362047938 /nfs/dbraw/zinc/04/79/38/362047938.db2.gz KTPMMPJDBGUSQH-GFCCVEGCSA-N 1 2 280.393 1.568 20 30 CDEDLO CCC#C[C@@H](C)[N@@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000645016718 362047942 /nfs/dbraw/zinc/04/79/42/362047942.db2.gz KTPMMPJDBGUSQH-GFCCVEGCSA-N 1 2 280.393 1.568 20 30 CDEDLO 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/nfs/dbraw/zinc/84/26/12/343842612.db2.gz BLBIAIVXSZTWAB-GMTAPVOTSA-N 1 2 294.317 1.939 20 30 CDEDLO CC(=Cc1cn(C)c[nH+]1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000619743352 349885041 /nfs/dbraw/zinc/88/50/41/349885041.db2.gz TVVMQOMFQLYUBW-YWEYNIOJSA-N 1 2 255.281 1.244 20 30 CDEDLO N#Cc1cc(O)cc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000598947984 343932944 /nfs/dbraw/zinc/93/29/44/343932944.db2.gz NOWHJPZDQOVDIG-LBPRGKRZSA-N 1 2 282.303 1.205 20 30 CDEDLO N#Cc1ccsc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598949504 343933265 /nfs/dbraw/zinc/93/32/65/343933265.db2.gz UPWYEFDHBKXNHY-JTQLQIEISA-N 1 2 272.333 1.561 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000619777810 349899111 /nfs/dbraw/zinc/89/91/11/349899111.db2.gz ASFVOCVVFNLVHV-MFKMUULPSA-N 1 2 277.755 1.973 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCc2[nH+]c[nH]c2C1 ZINC000599430535 344056920 /nfs/dbraw/zinc/05/69/20/344056920.db2.gz VPLNPEAUVLKIGU-XHDPSFHLSA-N 1 2 289.383 1.211 20 30 CDEDLO Cc1cn2ccc(C(=O)NC3(C#N)CCC3)cc2[nH+]1 ZINC000602083400 344329068 /nfs/dbraw/zinc/32/90/68/344329068.db2.gz XVBPNZRMHYIVQX-UHFFFAOYSA-N 1 2 254.293 1.819 20 30 CDEDLO N#CCCn1ccc(=NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)[nH]1 ZINC000602103712 344335445 /nfs/dbraw/zinc/33/54/45/344335445.db2.gz XADMEATVSPIZDO-ZDUSSCGKSA-N 1 2 287.367 1.174 20 30 CDEDLO N#CCCn1ccc(=NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)[nH]1 ZINC000602103712 344335446 /nfs/dbraw/zinc/33/54/46/344335446.db2.gz XADMEATVSPIZDO-ZDUSSCGKSA-N 1 2 287.367 1.174 20 30 CDEDLO CC[N@@H+](Cc1ccc(C(=O)OC)n1C)C[C@H](C)C#N ZINC000602448090 344433939 /nfs/dbraw/zinc/43/39/39/344433939.db2.gz SEOASXNTOMLOKJ-LLVKDONJSA-N 1 2 263.341 1.793 20 30 CDEDLO CC[N@H+](Cc1ccc(C(=O)OC)n1C)C[C@H](C)C#N ZINC000602448090 344433941 /nfs/dbraw/zinc/43/39/41/344433941.db2.gz SEOASXNTOMLOKJ-LLVKDONJSA-N 1 2 263.341 1.793 20 30 CDEDLO C=CCOC[C@H](N[C@H](c1[nH+]ccn1C)C1CC1)C(=O)OC ZINC000602641834 344512700 /nfs/dbraw/zinc/51/27/00/344512700.db2.gz FOCDVLGTJIHSOU-STQMWFEESA-N 1 2 293.367 1.205 20 30 CDEDLO N#CCC1(CN2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000602766489 344572897 /nfs/dbraw/zinc/57/28/97/344572897.db2.gz LVGFNXFAICOIFU-UHFFFAOYSA-N 1 2 270.380 1.893 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccc(C(=O)OCC)[nH]2)nn1 ZINC000602694969 344542263 /nfs/dbraw/zinc/54/22/63/344542263.db2.gz RJZZWCOHWFSMGD-UHFFFAOYSA-N 1 2 289.339 1.259 20 30 CDEDLO CC(C)n1cc(C[NH+]2CCN(CCC#N)CC2)cn1 ZINC000602747592 344562342 /nfs/dbraw/zinc/56/23/42/344562342.db2.gz CPKNMOUBXGDOJJ-UHFFFAOYSA-N 1 2 261.373 1.495 20 30 CDEDLO COC(=O)c1ccccc1C[NH+]1CCN(CCC#N)CC1 ZINC000602748847 344562899 /nfs/dbraw/zinc/56/28/99/344562899.db2.gz SOLCVVSFXRRPBG-UHFFFAOYSA-N 1 2 287.363 1.504 20 30 CDEDLO Cc1nsc(N2CC[NH+](CC3(CC#N)CC3)CC2)n1 ZINC000602793002 344585276 /nfs/dbraw/zinc/58/52/76/344585276.db2.gz NXXIJGREPZJWAA-UHFFFAOYSA-N 1 2 277.397 1.662 20 30 CDEDLO CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)CC#N ZINC000602859716 344616290 /nfs/dbraw/zinc/61/62/90/344616290.db2.gz AHLRZTPQLPVABO-VIFPVBQESA-N 1 2 265.279 1.677 20 30 CDEDLO CC(C)CCOCCNC(=O)C[NH2+][C@H](C)CC#N ZINC000602861343 344617067 /nfs/dbraw/zinc/61/70/67/344617067.db2.gz HFCPAWVAFRGYEO-GFCCVEGCSA-N 1 2 255.362 1.057 20 30 CDEDLO CCn1cnnc1[C@@H]1C[N@H+](CC2(CC#N)CC2)CCO1 ZINC000602815300 344605940 /nfs/dbraw/zinc/60/59/40/344605940.db2.gz OTPDYGLEVCFPGG-LBPRGKRZSA-N 1 2 275.356 1.365 20 30 CDEDLO CCn1cnnc1[C@@H]1C[N@@H+](CC2(CC#N)CC2)CCO1 ZINC000602815300 344605941 /nfs/dbraw/zinc/60/59/41/344605941.db2.gz OTPDYGLEVCFPGG-LBPRGKRZSA-N 1 2 275.356 1.365 20 30 CDEDLO Cc1cccc(C)c1OCCNC(=O)C[NH2+][C@@H](C)CC#N ZINC000602863270 344623254 /nfs/dbraw/zinc/62/32/54/344623254.db2.gz OJKGVJIYLPRFQY-AWEZNQCLSA-N 1 2 289.379 1.690 20 30 CDEDLO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)CC#N)c1 ZINC000602867817 344639356 /nfs/dbraw/zinc/63/93/56/344639356.db2.gz FASUWKNKRFUXOA-LLVKDONJSA-N 1 2 288.351 1.267 20 30 CDEDLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163915 347066223 /nfs/dbraw/zinc/06/62/23/347066223.db2.gz WMGSYPMQEWQWJF-OCCSQVGLSA-N 1 2 251.374 1.867 20 30 CDEDLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163915 347066225 /nfs/dbraw/zinc/06/62/25/347066225.db2.gz WMGSYPMQEWQWJF-OCCSQVGLSA-N 1 2 251.374 1.867 20 30 CDEDLO CC(C)[C@H](C#N)N1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000609485065 344913643 /nfs/dbraw/zinc/91/36/43/344913643.db2.gz YCQCJKMRJQTNIH-LBPRGKRZSA-N 1 2 293.333 1.731 20 30 CDEDLO C=CC[C@H](C)NC(=O)NCCCCn1cc[nH+]c1 ZINC000604897000 344944672 /nfs/dbraw/zinc/94/46/72/344944672.db2.gz WNDVBUBBIJUVGT-LBPRGKRZSA-N 1 2 250.346 1.927 20 30 CDEDLO Cc1cc(C)c(C#N)c(NC[C@H](C)[NH+]2CCOCC2)n1 ZINC000073588677 345491190 /nfs/dbraw/zinc/49/11/90/345491190.db2.gz AUJVALUUMBYXPO-ZDUSSCGKSA-N 1 2 274.368 1.703 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)CNc1ccc(C#N)cc1 ZINC000121493358 346065921 /nfs/dbraw/zinc/06/59/21/346065921.db2.gz WSJXUGLYAPVQND-UHFFFAOYSA-N 1 2 283.335 1.063 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610729935 346384026 /nfs/dbraw/zinc/38/40/26/346384026.db2.gz PEYSPPGGWZBBPD-DZGCQCFKSA-N 1 2 287.363 1.726 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610729935 346384027 /nfs/dbraw/zinc/38/40/27/346384027.db2.gz PEYSPPGGWZBBPD-DZGCQCFKSA-N 1 2 287.363 1.726 20 30 CDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cccc(C)c1 ZINC000078670427 260302338 /nfs/dbraw/zinc/30/23/38/260302338.db2.gz ZRJFOMYGNIUKDS-UHFFFAOYSA-N 1 2 263.341 1.699 20 30 CDEDLO C[C@H]1C[N@H+](Cc2cc(C#N)cs2)C[C@@H](CO)O1 ZINC000249299384 362757140 /nfs/dbraw/zinc/75/71/40/362757140.db2.gz NKFBARAUUOJILF-ONGXEEELSA-N 1 2 252.339 1.201 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)cs2)C[C@@H](CO)O1 ZINC000249299384 362757145 /nfs/dbraw/zinc/75/71/45/362757145.db2.gz NKFBARAUUOJILF-ONGXEEELSA-N 1 2 252.339 1.201 20 30 CDEDLO N#CCCN1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000611174817 346627823 /nfs/dbraw/zinc/62/78/23/346627823.db2.gz QPQNBPUIMYCMLE-HXUWFJFHSA-N 1 2 291.420 1.325 20 30 CDEDLO N#CCCN1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000611175313 346631632 /nfs/dbraw/zinc/63/16/32/346631632.db2.gz DDCXHAVWKLVVAH-UHFFFAOYSA-N 1 2 265.307 1.996 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3ccco3)CC2)nn1 ZINC000611239277 346705498 /nfs/dbraw/zinc/70/54/98/346705498.db2.gz JTUQBWVHWITFRZ-UHFFFAOYSA-N 1 2 269.308 1.263 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000641775767 365845195 /nfs/dbraw/zinc/84/51/95/365845195.db2.gz ZGUJVJZKDUIXRK-SECBINFHSA-N 1 2 289.784 1.380 20 30 CDEDLO C[C@@]1(C#N)CCCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000612369950 347135181 /nfs/dbraw/zinc/13/51/81/347135181.db2.gz XEKIRIOXEMCFTN-HNNXBMFYSA-N 1 2 296.334 1.428 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000085785387 179170870 /nfs/dbraw/zinc/17/08/70/179170870.db2.gz ZWXFFWZIAFSKIG-UHFFFAOYSA-N 1 2 258.321 1.173 20 30 CDEDLO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@]1(C#N)C[C@H]1C ZINC000449933473 362782544 /nfs/dbraw/zinc/78/25/44/362782544.db2.gz BLFRHGNXLDVXHR-BXUZGUMPSA-N 1 2 260.341 1.705 20 30 CDEDLO C=CC[N@H+]([C@@H]1CCS(=O)(=O)C1)[C@H]1C=CCCC1 ZINC000066560497 347491561 /nfs/dbraw/zinc/49/15/61/347491561.db2.gz XVOJEDHNFZIDJG-QWHCGFSZSA-N 1 2 255.383 1.770 20 30 CDEDLO C=CC[N@@H+]([C@@H]1CCS(=O)(=O)C1)[C@H]1C=CCCC1 ZINC000066560497 347491564 /nfs/dbraw/zinc/49/15/64/347491564.db2.gz XVOJEDHNFZIDJG-QWHCGFSZSA-N 1 2 255.383 1.770 20 30 CDEDLO CC(C)(CCC#N)CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000355104396 365912778 /nfs/dbraw/zinc/91/27/78/365912778.db2.gz XLINAMCDPSWSDU-GFCCVEGCSA-N 1 2 289.383 1.827 20 30 CDEDLO Cc1[nH]c(CN2CCN(c3cc(C#N)ccn3)CC2)[nH+]c1C ZINC000600110691 347671314 /nfs/dbraw/zinc/67/13/14/347671314.db2.gz AWOAHGPBIBTCKK-UHFFFAOYSA-N 1 2 296.378 1.615 20 30 CDEDLO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000564516432 293366157 /nfs/dbraw/zinc/36/61/57/293366157.db2.gz YCJRPLZELWHAJW-CYBMUJFWSA-N 1 2 258.325 1.006 20 30 CDEDLO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000564516432 293366159 /nfs/dbraw/zinc/36/61/59/293366159.db2.gz YCJRPLZELWHAJW-CYBMUJFWSA-N 1 2 258.325 1.006 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1O ZINC000615431373 348507910 /nfs/dbraw/zinc/50/79/10/348507910.db2.gz XNNKOKGDCXOVEN-CQSZACIVSA-N 1 2 296.330 1.938 20 30 CDEDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000615433247 348508365 /nfs/dbraw/zinc/50/83/65/348508365.db2.gz WBHLJUACBKVVPP-UHFFFAOYSA-N 1 2 282.303 1.977 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC(C)(C)O1 ZINC000065426429 348955304 /nfs/dbraw/zinc/95/53/04/348955304.db2.gz KCBCGJSESXUCCA-XHDPSFHLSA-N 1 2 279.384 1.294 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC(C)(C)O1 ZINC000065426429 348955307 /nfs/dbraw/zinc/95/53/07/348955307.db2.gz KCBCGJSESXUCCA-XHDPSFHLSA-N 1 2 279.384 1.294 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](O)C1CC1 ZINC000305734915 350083292 /nfs/dbraw/zinc/08/32/92/350083292.db2.gz LOVSKZRVWKLZKD-LSDHHAIUSA-N 1 2 288.347 1.475 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)C1CC1 ZINC000305734915 350083294 /nfs/dbraw/zinc/08/32/94/350083294.db2.gz LOVSKZRVWKLZKD-LSDHHAIUSA-N 1 2 288.347 1.475 20 30 CDEDLO N#Cc1cccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)n1 ZINC000602588473 350129219 /nfs/dbraw/zinc/12/92/19/350129219.db2.gz AHSCCBUCQWUEEP-UHFFFAOYSA-N 1 2 285.269 1.842 20 30 CDEDLO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602636070 350134127 /nfs/dbraw/zinc/13/41/27/350134127.db2.gz DXHYQBUQQYDHOX-CQSZACIVSA-N 1 2 293.392 1.352 20 30 CDEDLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602636070 350134128 /nfs/dbraw/zinc/13/41/28/350134128.db2.gz DXHYQBUQQYDHOX-CQSZACIVSA-N 1 2 293.392 1.352 20 30 CDEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)n2)C[C@@]2(CCCOC2)O1 ZINC000602643719 350136910 /nfs/dbraw/zinc/13/69/10/350136910.db2.gz SCGQVTIVOSIISA-XJKSGUPXSA-N 1 2 287.363 1.723 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)n2)C[C@@]2(CCCOC2)O1 ZINC000602643719 350136912 /nfs/dbraw/zinc/13/69/12/350136912.db2.gz SCGQVTIVOSIISA-XJKSGUPXSA-N 1 2 287.363 1.723 20 30 CDEDLO CC(C)[C@H](NC(=O)Cc1ccc(C#N)nc1)c1[nH]cc[nH+]1 ZINC000603159293 350221022 /nfs/dbraw/zinc/22/10/22/350221022.db2.gz IRHQPVKGEZZJFT-AWEZNQCLSA-N 1 2 283.335 1.732 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@](C)(O)C2)c(C#N)c1C ZINC000123880153 187112933 /nfs/dbraw/zinc/11/29/33/187112933.db2.gz GYNXGFQCKOQPGG-HNNXBMFYSA-N 1 2 291.351 1.553 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@](C)(O)C2)c(C#N)c1C ZINC000123880153 187112934 /nfs/dbraw/zinc/11/29/34/187112934.db2.gz GYNXGFQCKOQPGG-HNNXBMFYSA-N 1 2 291.351 1.553 20 30 CDEDLO Cc1ccc2[nH+]c(CNS(=O)(=O)CCCC#N)cn2c1 ZINC000264754228 363143790 /nfs/dbraw/zinc/14/37/90/363143790.db2.gz NHHVSOYVQQOGJM-UHFFFAOYSA-N 1 2 292.364 1.366 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)N(C)Cc1[nH+]ccn1C ZINC000153333020 188076473 /nfs/dbraw/zinc/07/64/73/188076473.db2.gz JDBFNMJVNDYCPC-ZDUSSCGKSA-N 1 2 278.400 1.665 20 30 CDEDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000157059905 188295044 /nfs/dbraw/zinc/29/50/44/188295044.db2.gz QCHYJIXEVVIPAY-HNNXBMFYSA-N 1 2 297.362 1.903 20 30 CDEDLO Cn1cnnc1[C@@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000157059905 188295045 /nfs/dbraw/zinc/29/50/45/188295045.db2.gz QCHYJIXEVVIPAY-HNNXBMFYSA-N 1 2 297.362 1.903 20 30 CDEDLO C[C@H](O)C[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000157267797 188307302 /nfs/dbraw/zinc/30/73/02/188307302.db2.gz VGBKJAQNPNNGJI-WFASDCNBSA-N 1 2 260.337 1.530 20 30 CDEDLO C[C@H](O)C[C@H]1COCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000157267797 188307304 /nfs/dbraw/zinc/30/73/04/188307304.db2.gz VGBKJAQNPNNGJI-WFASDCNBSA-N 1 2 260.337 1.530 20 30 CDEDLO CC#CCNC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000355569939 366118341 /nfs/dbraw/zinc/11/83/41/366118341.db2.gz HZHSUMULQYJQHX-UHFFFAOYSA-N 1 2 255.321 1.874 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000336331079 356151007 /nfs/dbraw/zinc/15/10/07/356151007.db2.gz ZOCVHYFMMGDVKP-NSHDSACASA-N 1 2 284.319 1.823 20 30 CDEDLO N#Cc1ccccc1N1CC[NH+](Cc2cc[nH]n2)CC1 ZINC000126953601 356188975 /nfs/dbraw/zinc/18/89/75/356188975.db2.gz QYUNTLQIRLHUEF-UHFFFAOYSA-N 1 2 267.336 1.604 20 30 CDEDLO C[C@H](c1cnccn1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000559259611 356424764 /nfs/dbraw/zinc/42/47/64/356424764.db2.gz PPMZYGJMPFOPFS-CYBMUJFWSA-N 1 2 294.362 1.626 20 30 CDEDLO Cc1csc(NC(=O)NCC[NH+]2CCOCC2)c1C#N ZINC000559637070 356756199 /nfs/dbraw/zinc/75/61/99/356756199.db2.gz HRCQCCPVGLBABI-UHFFFAOYSA-N 1 2 294.380 1.382 20 30 CDEDLO COC(=O)[C@@H](C)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344095543 356888355 /nfs/dbraw/zinc/88/83/55/356888355.db2.gz BFGGJZGVUXJACX-GFCCVEGCSA-N 1 2 276.336 1.568 20 30 CDEDLO COC(=O)[C@@H](C)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344095543 356888360 /nfs/dbraw/zinc/88/83/60/356888360.db2.gz BFGGJZGVUXJACX-GFCCVEGCSA-N 1 2 276.336 1.568 20 30 CDEDLO N#Cc1cnc(N2CC[NH+]([C@H]3CCOC3)CC2)c(Cl)c1 ZINC000372930008 283232725 /nfs/dbraw/zinc/23/27/25/283232725.db2.gz QPFXJTZWVGXOFW-LBPRGKRZSA-N 1 2 292.770 1.518 20 30 CDEDLO Cc1ccn2cc(CNC(=O)CSCC#N)[nH+]c2c1 ZINC000048968457 357202628 /nfs/dbraw/zinc/20/26/28/357202628.db2.gz WTOKBFHDWQFXFQ-UHFFFAOYSA-N 1 2 274.349 1.516 20 30 CDEDLO COCCOCCO[NH+]=C(N)Cc1ccccc1Cl ZINC000179639454 357217221 /nfs/dbraw/zinc/21/72/21/357217221.db2.gz QJCWREFBTSNUIP-UHFFFAOYSA-N 1 2 286.759 1.834 20 30 CDEDLO N#Cc1cc(NCCNc2cccc[nH+]2)cc(N)c1[N+](=O)[O-] ZINC000341357403 357237389 /nfs/dbraw/zinc/23/73/89/357237389.db2.gz RBJJTUXMERTUPK-UHFFFAOYSA-N 1 2 298.306 1.968 20 30 CDEDLO C[C@@]1(F)CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000334327760 357567830 /nfs/dbraw/zinc/56/78/30/357567830.db2.gz HOWUNTPXLLFPBL-CQSZACIVSA-N 1 2 261.300 1.931 20 30 CDEDLO C[C@@]1(F)CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000334327760 357567832 /nfs/dbraw/zinc/56/78/32/357567832.db2.gz HOWUNTPXLLFPBL-CQSZACIVSA-N 1 2 261.300 1.931 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCSC[C@@H]2CO)c(F)c1 ZINC000334430126 357577806 /nfs/dbraw/zinc/57/78/06/357577806.db2.gz UXNRYRNWCPUXRI-LBPRGKRZSA-N 1 2 266.341 1.607 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCSC[C@@H]2CO)c(F)c1 ZINC000334430126 357577810 /nfs/dbraw/zinc/57/78/10/357577810.db2.gz UXNRYRNWCPUXRI-LBPRGKRZSA-N 1 2 266.341 1.607 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)s1 ZINC000245748436 140278103 /nfs/dbraw/zinc/27/81/03/140278103.db2.gz GYESAHMAXVBUTF-ZIAGYGMSSA-N 1 2 278.377 2.000 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)s1 ZINC000245748436 140278104 /nfs/dbraw/zinc/27/81/04/140278104.db2.gz GYESAHMAXVBUTF-ZIAGYGMSSA-N 1 2 278.377 2.000 20 30 CDEDLO Cc1cc(C[N@@H+]2CC(=O)NCC2(C)C)ccc1C#N ZINC000334947281 357648398 /nfs/dbraw/zinc/64/83/98/357648398.db2.gz QXRISYFLOSEXPJ-UHFFFAOYSA-N 1 2 257.337 1.577 20 30 CDEDLO Cc1cc(C[N@H+]2CC(=O)NCC2(C)C)ccc1C#N ZINC000334947281 357648400 /nfs/dbraw/zinc/64/84/00/357648400.db2.gz QXRISYFLOSEXPJ-UHFFFAOYSA-N 1 2 257.337 1.577 20 30 CDEDLO N#Cc1cc([N+](=O)[O-])cnc1NCc1ccc(N)[nH+]c1 ZINC000308388548 358533648 /nfs/dbraw/zinc/53/36/48/358533648.db2.gz UWRZAVNSDWGTHS-UHFFFAOYSA-N 1 2 270.252 1.451 20 30 CDEDLO Cc1cc(NC(=O)NCc2[nH]cc[nH+]2)c(C#N)cc1N(C)C ZINC000436500600 358749712 /nfs/dbraw/zinc/74/97/12/358749712.db2.gz XVOZYNNNBYOXFB-UHFFFAOYSA-N 1 2 298.350 1.978 20 30 CDEDLO COCC[C@@H]1COCC[N@@H+]1CCOc1ccccc1C#N ZINC000291116216 358878781 /nfs/dbraw/zinc/87/87/81/358878781.db2.gz ALVNDFVDGTUPJE-OAHLLOKOSA-N 1 2 290.363 1.674 20 30 CDEDLO COCC[C@@H]1COCC[N@H+]1CCOc1ccccc1C#N ZINC000291116216 358878784 /nfs/dbraw/zinc/87/87/84/358878784.db2.gz ALVNDFVDGTUPJE-OAHLLOKOSA-N 1 2 290.363 1.674 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccncc1F ZINC000338363654 359117360 /nfs/dbraw/zinc/11/73/60/359117360.db2.gz AQPAJRPUEAQNCQ-MEBBXXQBSA-N 1 2 298.321 1.970 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+]Cc1csc(C)n1 ZINC000272812959 359472324 /nfs/dbraw/zinc/47/23/24/359472324.db2.gz HIRAOXKSZGFAIH-UHFFFAOYSA-N 1 2 260.384 1.142 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCCc1ccccc1C)C1CC1 ZINC000274193196 359492326 /nfs/dbraw/zinc/49/23/26/359492326.db2.gz QKKZNJFWOBYQHK-UHFFFAOYSA-N 1 2 270.376 1.751 20 30 CDEDLO C#CC[N@H+](CC(=O)NCCc1ccccc1C)C1CC1 ZINC000274193196 359492328 /nfs/dbraw/zinc/49/23/28/359492328.db2.gz QKKZNJFWOBYQHK-UHFFFAOYSA-N 1 2 270.376 1.751 20 30 CDEDLO Cn1cc[nH+]c1CN(C#N)c1ccc(F)c(C#N)c1 ZINC000344841722 359551897 /nfs/dbraw/zinc/55/18/97/359551897.db2.gz AHVNSIKZZNHHLJ-UHFFFAOYSA-N 1 2 255.256 1.919 20 30 CDEDLO CC#CC(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000277296070 359559034 /nfs/dbraw/zinc/55/90/34/359559034.db2.gz DFEWPYAFUFSMRH-UHFFFAOYSA-N 1 2 285.391 1.786 20 30 CDEDLO C=CCSCCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000277483591 359563082 /nfs/dbraw/zinc/56/30/82/359563082.db2.gz PXRINJNUNVHKEH-UHFFFAOYSA-N 1 2 280.397 1.644 20 30 CDEDLO C=CCSCCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000277483591 359563083 /nfs/dbraw/zinc/56/30/83/359563083.db2.gz PXRINJNUNVHKEH-UHFFFAOYSA-N 1 2 280.397 1.644 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CC[S@@](=O)C[C@H](C)C2)cc1 ZINC000277535792 359563870 /nfs/dbraw/zinc/56/38/70/359563870.db2.gz QBBWKDFXKXDDEU-JLTOFOAXSA-N 1 2 291.416 1.899 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CC[S@@](=O)C[C@H](C)C2)cc1 ZINC000277535792 359563874 /nfs/dbraw/zinc/56/38/74/359563874.db2.gz QBBWKDFXKXDDEU-JLTOFOAXSA-N 1 2 291.416 1.899 20 30 CDEDLO Cc1cc(C)c(C#N)c(N(C)Cc2[nH+]ccn2C)n1 ZINC000058340803 359904280 /nfs/dbraw/zinc/90/42/80/359904280.db2.gz DDTGENDOLOYUDO-UHFFFAOYSA-N 1 2 255.325 1.940 20 30 CDEDLO C#C[C@@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(C)C ZINC000297883442 200298644 /nfs/dbraw/zinc/29/86/44/200298644.db2.gz GXSGEJZKTWHZGM-CHWSQXEVSA-N 1 2 274.368 1.957 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335490982 360261376 /nfs/dbraw/zinc/26/13/76/360261376.db2.gz HWUUKFPRCLCAJI-NSHDSACASA-N 1 2 260.341 1.454 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000337588893 360273938 /nfs/dbraw/zinc/27/39/38/360273938.db2.gz MBHLKPVAJNJVCD-ZFWWWQNUSA-N 1 2 289.379 1.536 20 30 CDEDLO C[C@]1(O)CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000177999105 189084754 /nfs/dbraw/zinc/08/47/54/189084754.db2.gz YLIZOPXFJYPPHN-LBPRGKRZSA-N 1 2 265.338 1.015 20 30 CDEDLO C[C@]1(O)CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000177999105 189084755 /nfs/dbraw/zinc/08/47/55/189084755.db2.gz YLIZOPXFJYPPHN-LBPRGKRZSA-N 1 2 265.338 1.015 20 30 CDEDLO CC(C)S(=O)(=O)CC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000178205378 189098040 /nfs/dbraw/zinc/09/80/40/189098040.db2.gz JXOFPWNMZJDOML-UHFFFAOYSA-N 1 2 280.393 1.813 20 30 CDEDLO CC(C)S(=O)(=O)CC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000178205378 189098041 /nfs/dbraw/zinc/09/80/41/189098041.db2.gz JXOFPWNMZJDOML-UHFFFAOYSA-N 1 2 280.393 1.813 20 30 CDEDLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000426165930 360648428 /nfs/dbraw/zinc/64/84/28/360648428.db2.gz MKCNFCGKPLTKOO-LBPRGKRZSA-N 1 2 257.337 1.415 20 30 CDEDLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000426165930 360648434 /nfs/dbraw/zinc/64/84/34/360648434.db2.gz MKCNFCGKPLTKOO-LBPRGKRZSA-N 1 2 257.337 1.415 20 30 CDEDLO N#CC1(C(=O)NCCc2cn3ccccc3[nH+]2)CCC1 ZINC000128877020 360766726 /nfs/dbraw/zinc/76/67/26/360766726.db2.gz AKHRDKGWBXDGBN-UHFFFAOYSA-N 1 2 268.320 1.687 20 30 CDEDLO C=C(C)C[N@H+](C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000246216019 360813127 /nfs/dbraw/zinc/81/31/27/360813127.db2.gz GPKZNBFZTYGNGF-QWHCGFSZSA-N 1 2 273.398 1.231 20 30 CDEDLO C=C(C)C[N@@H+](C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000246216019 360813133 /nfs/dbraw/zinc/81/31/33/360813133.db2.gz GPKZNBFZTYGNGF-QWHCGFSZSA-N 1 2 273.398 1.231 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1occc1C ZINC000429385845 360817750 /nfs/dbraw/zinc/81/77/50/360817750.db2.gz IQYLGGOEGDWSNA-UHFFFAOYSA-N 1 2 265.313 1.032 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1occc1C ZINC000429385845 360817753 /nfs/dbraw/zinc/81/77/53/360817753.db2.gz IQYLGGOEGDWSNA-UHFFFAOYSA-N 1 2 265.313 1.032 20 30 CDEDLO Cn1c[nH+]cc1CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000177273659 238285693 /nfs/dbraw/zinc/28/56/93/238285693.db2.gz MJPXKODYQHTFRC-UHFFFAOYSA-N 1 2 299.353 1.753 20 30 CDEDLO CN(CC[NH+]1CCOCC1)c1ncc2c(c1C#N)CCC2 ZINC000572477274 361035642 /nfs/dbraw/zinc/03/56/42/361035642.db2.gz CROCEDFXOUKTHX-UHFFFAOYSA-N 1 2 286.379 1.210 20 30 CDEDLO C=CC[N@@H+](Cc1ccc(CO)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000182873216 189337925 /nfs/dbraw/zinc/33/79/25/189337925.db2.gz BHADQKBACUHRCU-HNNXBMFYSA-N 1 2 295.404 1.354 20 30 CDEDLO C=CC[N@H+](Cc1ccc(CO)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000182873216 189337926 /nfs/dbraw/zinc/33/79/26/189337926.db2.gz BHADQKBACUHRCU-HNNXBMFYSA-N 1 2 295.404 1.354 20 30 CDEDLO C=CCC1(C(=O)NCC[NH+]2CCOCC2)CCCCC1 ZINC000448561351 361409607 /nfs/dbraw/zinc/40/96/07/361409607.db2.gz NSRHAKBYVWVTDA-UHFFFAOYSA-N 1 2 280.412 1.961 20 30 CDEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2cccc3c2OCO3)C1 ZINC000329316889 361477829 /nfs/dbraw/zinc/47/78/29/361477829.db2.gz FCOQHJHJSSCCML-NSHDSACASA-N 1 2 264.281 1.334 20 30 CDEDLO C[N@H+]1CCO[C@H](C(=O)Nc2cccc3c2OCO3)C1 ZINC000329316889 361477835 /nfs/dbraw/zinc/47/78/35/361477835.db2.gz FCOQHJHJSSCCML-NSHDSACASA-N 1 2 264.281 1.334 20 30 CDEDLO C[C@@H](C(=O)NC1(c2nc[nH]n2)CCC1)[NH+]1CCSCC1 ZINC000329348416 361485666 /nfs/dbraw/zinc/48/56/66/361485666.db2.gz SCYSDQCFAYQBPS-JTQLQIEISA-N 1 2 295.412 1.578 20 30 CDEDLO C[C@@H](C(=O)NC1(c2nnc[nH]2)CCC1)[NH+]1CCSCC1 ZINC000329348416 361485673 /nfs/dbraw/zinc/48/56/73/361485673.db2.gz SCYSDQCFAYQBPS-JTQLQIEISA-N 1 2 295.412 1.578 20 30 CDEDLO C#CCCOc1ccc(C[NH2+]CC(F)(F)CO)cc1 ZINC000183873881 189369535 /nfs/dbraw/zinc/36/95/35/189369535.db2.gz PEKNYNNTQQLQDY-UHFFFAOYSA-N 1 2 269.291 1.806 20 30 CDEDLO CC#CCCCC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000184939253 189399478 /nfs/dbraw/zinc/39/94/78/189399478.db2.gz MFBOTPGRRWLXMR-UHFFFAOYSA-N 1 2 285.391 1.919 20 30 CDEDLO C[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)C(C)(F)F ZINC000581370196 363987740 /nfs/dbraw/zinc/98/77/40/363987740.db2.gz MIPFUAWGMFCTAM-QMMMGPOBSA-N 1 2 265.267 1.734 20 30 CDEDLO C#Cc1cccc(NC(=O)CNc2cc(C)[nH+]cn2)c1 ZINC000301221612 364181749 /nfs/dbraw/zinc/18/17/49/364181749.db2.gz BUEBEEZSYOZXCF-UHFFFAOYSA-N 1 2 266.304 1.817 20 30 CDEDLO C[C@H]1CCN(C(=O)c2cnn(C)c2C#N)C[C@H]1n1cc[nH+]c1 ZINC000356428902 364842002 /nfs/dbraw/zinc/84/20/02/364842002.db2.gz KXBYHJAXZBQQBJ-SMDDNHRTSA-N 1 2 298.350 1.212 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2sc(C)nc2C)nn1 ZINC000641066456 364922617 /nfs/dbraw/zinc/92/26/17/364922617.db2.gz OQNRGEZFUBZEFY-UHFFFAOYSA-N 1 2 275.381 1.513 20 30 CDEDLO C=CCCOCC(=O)N[C@@H]1CC[N@H+](Cc2ccns2)C1 ZINC001661049285 1172329414 /nfs/dbraw/zinc/32/94/14/1172329414.db2.gz DUCRCJDDJRGZSJ-GFCCVEGCSA-N 1 2 295.408 1.426 20 30 CDEDLO C=CCCOCC(=O)N[C@@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001661049285 1172329418 /nfs/dbraw/zinc/32/94/18/1172329418.db2.gz DUCRCJDDJRGZSJ-GFCCVEGCSA-N 1 2 295.408 1.426 20 30 CDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000566660042 370784601 /nfs/dbraw/zinc/78/46/01/370784601.db2.gz DAZLBSKCKWSDIS-KYOSRNDESA-N 1 2 271.320 1.611 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C1(C#N)CCCCC1 ZINC000362210328 365150900 /nfs/dbraw/zinc/15/09/00/365150900.db2.gz APGYHWQCBHYGPT-AWEZNQCLSA-N 1 2 293.411 1.640 20 30 CDEDLO CC(C)[C@H](C(=O)N[C@H](C)C#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000249745124 365317961 /nfs/dbraw/zinc/31/79/61/365317961.db2.gz MRJRWVRVDAYNQC-FVCCEPFGSA-N 1 2 267.373 1.148 20 30 CDEDLO CC(C)[C@H](C(=O)N[C@H](C)C#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000249745124 365317965 /nfs/dbraw/zinc/31/79/65/365317965.db2.gz MRJRWVRVDAYNQC-FVCCEPFGSA-N 1 2 267.373 1.148 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1nnc(CC(C)C)s1 ZINC000516580667 366893645 /nfs/dbraw/zinc/89/36/45/366893645.db2.gz NXYOBZABCYZMIH-SNVBAGLBSA-N 1 2 295.412 1.957 20 30 CDEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3ccco3)CC2)c[nH]1 ZINC000271943339 367038311 /nfs/dbraw/zinc/03/83/11/367038311.db2.gz CCICJRMDFOMQRH-UHFFFAOYSA-N 1 2 284.319 1.437 20 30 CDEDLO CC(C)(C)c1ccc(C#N)c(NCC[NH+]2CCOCC2)n1 ZINC000613409032 367328939 /nfs/dbraw/zinc/32/89/39/367328939.db2.gz FLLGRMZVRVDURF-UHFFFAOYSA-N 1 2 288.395 1.995 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)NCC(C)(C)CCC#N ZINC000358714381 367893996 /nfs/dbraw/zinc/89/39/96/367893996.db2.gz TYYFALIMPCRBGQ-UHFFFAOYSA-N 1 2 277.372 1.891 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000360959990 368572079 /nfs/dbraw/zinc/57/20/79/368572079.db2.gz HEIYLSBWPPNYPX-CABCVRRESA-N 1 2 288.395 1.907 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000360959990 368572082 /nfs/dbraw/zinc/57/20/82/368572082.db2.gz HEIYLSBWPPNYPX-CABCVRRESA-N 1 2 288.395 1.907 20 30 CDEDLO C#CCNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000075557415 369423045 /nfs/dbraw/zinc/42/30/45/369423045.db2.gz VLCFWZRROHRTFL-ZDUSSCGKSA-N 1 2 286.310 1.581 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000565108900 370354853 /nfs/dbraw/zinc/35/48/53/370354853.db2.gz XDGNEMBCNMTVDI-ZDUSSCGKSA-N 1 2 251.330 1.397 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCC(F)(F)F ZINC000565052187 370332650 /nfs/dbraw/zinc/33/26/50/370332650.db2.gz VXCBGUDAALTEQX-SNVBAGLBSA-N 1 2 265.279 1.679 20 30 CDEDLO CN(C)C(=O)C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000371782113 370407578 /nfs/dbraw/zinc/40/75/78/370407578.db2.gz SITJFKCJMCSIFZ-CABCVRRESA-N 1 2 271.364 1.846 20 30 CDEDLO CN(C)C(=O)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000371782113 370407584 /nfs/dbraw/zinc/40/75/84/370407584.db2.gz SITJFKCJMCSIFZ-CABCVRRESA-N 1 2 271.364 1.846 20 30 CDEDLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000331808311 204187207 /nfs/dbraw/zinc/18/72/07/204187207.db2.gz YQTJHMXUAZYZTH-SMDDNHRTSA-N 1 2 299.334 1.270 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1sccc1C#N ZINC000573383888 371526041 /nfs/dbraw/zinc/52/60/41/371526041.db2.gz JKOWPUYURKMQOZ-SNVBAGLBSA-N 1 2 262.338 1.840 20 30 CDEDLO Cc1noc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)n1 ZINC000348109235 373004674 /nfs/dbraw/zinc/00/46/74/373004674.db2.gz KQORSJIXTZLSEK-NXEZZACHSA-N 1 2 299.334 1.928 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Nc2ccc(C)s2)CC1 ZINC000075411830 373037867 /nfs/dbraw/zinc/03/78/67/373037867.db2.gz YDQPVPSEYXLCMX-UHFFFAOYSA-N 1 2 263.366 1.839 20 30 CDEDLO CC[N@@H+](CC(=O)NC(=O)NC1CCCC1)C[C@@H](C)C#N ZINC000049982229 373024560 /nfs/dbraw/zinc/02/45/60/373024560.db2.gz GUXVRGPCVHNQNS-NSHDSACASA-N 1 2 280.372 1.236 20 30 CDEDLO CC[N@H+](CC(=O)NC(=O)NC1CCCC1)C[C@@H](C)C#N ZINC000049982229 373024564 /nfs/dbraw/zinc/02/45/64/373024564.db2.gz GUXVRGPCVHNQNS-NSHDSACASA-N 1 2 280.372 1.236 20 30 CDEDLO C=CC[N@@H+](CCOC)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000191100380 373447367 /nfs/dbraw/zinc/44/73/67/373447367.db2.gz IBMIVANJGTUVKM-CYBMUJFWSA-N 1 2 266.316 1.487 20 30 CDEDLO C=CC[N@H+](CCOC)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000191100380 373447373 /nfs/dbraw/zinc/44/73/73/373447373.db2.gz IBMIVANJGTUVKM-CYBMUJFWSA-N 1 2 266.316 1.487 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)C[C@@H](C)O1 ZINC000248880757 374006739 /nfs/dbraw/zinc/00/67/39/374006739.db2.gz PEPDONWDGIDRID-RISCZKNCSA-N 1 2 263.341 1.132 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)C[C@@H](C)O1 ZINC000248880757 374006748 /nfs/dbraw/zinc/00/67/48/374006748.db2.gz PEPDONWDGIDRID-RISCZKNCSA-N 1 2 263.341 1.132 20 30 CDEDLO Cn1cc(C[N@@H+]2CCO[C@H](COCC3CC3)C2)cc1C#N ZINC000361608003 374046516 /nfs/dbraw/zinc/04/65/16/374046516.db2.gz DSKBVUMOEYPPQB-INIZCTEOSA-N 1 2 289.379 1.524 20 30 CDEDLO Cn1cc(C[N@H+]2CCO[C@H](COCC3CC3)C2)cc1C#N ZINC000361608003 374046523 /nfs/dbraw/zinc/04/65/23/374046523.db2.gz DSKBVUMOEYPPQB-INIZCTEOSA-N 1 2 289.379 1.524 20 30 CDEDLO CCN1CCN(c2cccnc2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000368184576 374159272 /nfs/dbraw/zinc/15/92/72/374159272.db2.gz NACNSXNBCSICNI-AWEZNQCLSA-N 1 2 282.351 1.560 20 30 CDEDLO C[C@H]1c2nncn2CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000276729470 374745498 /nfs/dbraw/zinc/74/54/98/374745498.db2.gz BEHMEHBXSCJFTM-JTQLQIEISA-N 1 2 256.313 1.065 20 30 CDEDLO C[C@H]1c2nncn2CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000276729470 374745504 /nfs/dbraw/zinc/74/55/04/374745504.db2.gz BEHMEHBXSCJFTM-JTQLQIEISA-N 1 2 256.313 1.065 20 30 CDEDLO C[C@@H]1CC[N@H+](CCOc2cccc(C#N)c2)CC[S@@]1=O ZINC000277215835 374777692 /nfs/dbraw/zinc/77/76/92/374777692.db2.gz NOKVJEKAKKGJHQ-XCLFUZPHSA-N 1 2 292.404 1.780 20 30 CDEDLO C[C@@H]1CC[N@@H+](CCOc2cccc(C#N)c2)CC[S@@]1=O ZINC000277215835 374777699 /nfs/dbraw/zinc/77/76/99/374777699.db2.gz NOKVJEKAKKGJHQ-XCLFUZPHSA-N 1 2 292.404 1.780 20 30 CDEDLO Cc1ccnc(NCC2([NH+]3CCOCC3)CC2)c1C#N ZINC000277468962 374787399 /nfs/dbraw/zinc/78/73/99/374787399.db2.gz PTUACQNLXVFHSH-UHFFFAOYSA-N 1 2 272.352 1.538 20 30 CDEDLO CSC[C@@H](O)C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000331150642 374894562 /nfs/dbraw/zinc/89/45/62/374894562.db2.gz IHWJLIYZNZBRBM-GJZGRUSLSA-N 1 2 292.404 1.655 20 30 CDEDLO CSC[C@@H](O)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000331150642 374894567 /nfs/dbraw/zinc/89/45/67/374894567.db2.gz IHWJLIYZNZBRBM-GJZGRUSLSA-N 1 2 292.404 1.655 20 30 CDEDLO C[C@@H]1C[NH+](CCOc2ccc(C#N)cc2)C[C@@H](C)S1=O ZINC000331147676 374895292 /nfs/dbraw/zinc/89/52/92/374895292.db2.gz HGZKLHPCRREULX-CHWSQXEVSA-N 1 2 292.404 1.778 20 30 CDEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](O)C2)c(C#N)c1C ZINC000330426817 374854007 /nfs/dbraw/zinc/85/40/07/374854007.db2.gz WSISDWUSHBXONZ-MWLCHTKSSA-N 1 2 277.324 1.162 20 30 CDEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](O)C2)c(C#N)c1C ZINC000330426817 374854013 /nfs/dbraw/zinc/85/40/13/374854013.db2.gz WSISDWUSHBXONZ-MWLCHTKSSA-N 1 2 277.324 1.162 20 30 CDEDLO N#Cc1nc(NC(=O)C2C[NH+](C3CCCCC3)C2)[nH]c1C#N ZINC000334057223 375110844 /nfs/dbraw/zinc/11/08/44/375110844.db2.gz VZUDASBIZJUWCE-UHFFFAOYSA-N 1 2 298.350 1.356 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)C[C@H](C)O1 ZINC000282460308 375085050 /nfs/dbraw/zinc/08/50/50/375085050.db2.gz VNKIMRZDSBAUNJ-WFASDCNBSA-N 1 2 290.363 1.803 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)C[C@H](C)O1 ZINC000282460308 375085055 /nfs/dbraw/zinc/08/50/55/375085055.db2.gz VNKIMRZDSBAUNJ-WFASDCNBSA-N 1 2 290.363 1.803 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000282462358 375087037 /nfs/dbraw/zinc/08/70/37/375087037.db2.gz VTGFOFBSYZINOE-AWEZNQCLSA-N 1 2 287.363 1.667 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000282462358 375087045 /nfs/dbraw/zinc/08/70/45/375087045.db2.gz VTGFOFBSYZINOE-AWEZNQCLSA-N 1 2 287.363 1.667 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1c[nH]c(C#N)c1)CCC2 ZINC000335315340 375135645 /nfs/dbraw/zinc/13/56/45/375135645.db2.gz PSNGYVKGWDZFCY-LLVKDONJSA-N 1 2 283.335 1.699 20 30 CDEDLO CC[C@H](F)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000440712777 375416443 /nfs/dbraw/zinc/41/64/43/375416443.db2.gz MUSIJDJTMQVDCR-ZDUSSCGKSA-N 1 2 262.332 1.823 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cccc(F)c1C#N ZINC000427078707 247092638 /nfs/dbraw/zinc/09/26/38/247092638.db2.gz GKELTHXFGMBIKU-LLVKDONJSA-N 1 2 291.326 1.148 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cccc(F)c1C#N ZINC000427078707 247092643 /nfs/dbraw/zinc/09/26/43/247092643.db2.gz GKELTHXFGMBIKU-LLVKDONJSA-N 1 2 291.326 1.148 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000532080606 375827495 /nfs/dbraw/zinc/82/74/95/375827495.db2.gz AARDQGDFSYANFJ-CYBMUJFWSA-N 1 2 266.385 1.592 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000532080606 375827500 /nfs/dbraw/zinc/82/75/00/375827500.db2.gz AARDQGDFSYANFJ-CYBMUJFWSA-N 1 2 266.385 1.592 20 30 CDEDLO CN(C)c1[nH+]cccc1CNC(=O)N1CCCCO1 ZINC000328703718 375932108 /nfs/dbraw/zinc/93/21/08/375932108.db2.gz OIMLFOAWYLTDPQ-UHFFFAOYSA-N 1 2 264.329 1.589 20 30 CDEDLO O=C(N[C@@H]1CCO[C@@H]1C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000328867877 375991989 /nfs/dbraw/zinc/99/19/89/375991989.db2.gz HBEVAUAKUGNAHR-YRGRVCCFSA-N 1 2 275.352 1.970 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(C#N)cc1 ZINC000345387068 376013444 /nfs/dbraw/zinc/01/34/44/376013444.db2.gz NEHXZHCLLCLZJR-ZDUSSCGKSA-N 1 2 287.363 1.351 20 30 CDEDLO CO[C@@H]1CC[C@H](NC(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000331016791 376458016 /nfs/dbraw/zinc/45/80/16/376458016.db2.gz VIHMATQECKIZTJ-QWHCGFSZSA-N 1 2 292.383 1.719 20 30 CDEDLO CCNC(=O)[C@H](C)NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000331016943 376458307 /nfs/dbraw/zinc/45/83/07/376458307.db2.gz HNSZZOMGNFWFMC-VIFPVBQESA-N 1 2 288.351 1.711 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@H](CC)O1 ZINC000420952223 376501134 /nfs/dbraw/zinc/50/11/34/376501134.db2.gz RVWZZLCCNANGPR-LZWOXQAQSA-N 1 2 295.427 1.930 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@H](CC)O1 ZINC000420952223 376501146 /nfs/dbraw/zinc/50/11/46/376501146.db2.gz RVWZZLCCNANGPR-LZWOXQAQSA-N 1 2 295.427 1.930 20 30 CDEDLO C[C@@H](NC(=O)c1ccc(C#N)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000264250120 190099591 /nfs/dbraw/zinc/09/95/91/190099591.db2.gz KUZCRWNMFLTZEJ-CHWSQXEVSA-N 1 2 287.363 1.397 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000249383748 377428999 /nfs/dbraw/zinc/42/89/99/377428999.db2.gz WNMXVGGTMWEVLQ-CHWSQXEVSA-N 1 2 289.383 1.350 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000249383748 377429008 /nfs/dbraw/zinc/42/90/08/377429008.db2.gz WNMXVGGTMWEVLQ-CHWSQXEVSA-N 1 2 289.383 1.350 20 30 CDEDLO CC1CCC(NC(=O)C[NH+]2CCN(CCC#N)CC2)CC1 ZINC000077382281 377557535 /nfs/dbraw/zinc/55/75/35/377557535.db2.gz CNCHUOYZFKYZRK-UHFFFAOYSA-N 1 2 292.427 1.213 20 30 CDEDLO Cc1cccc(C)c1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000078320873 377759433 /nfs/dbraw/zinc/75/94/33/377759433.db2.gz DKAIQBSVIWGYAS-AWEZNQCLSA-N 1 2 262.353 1.889 20 30 CDEDLO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000078320873 377759442 /nfs/dbraw/zinc/75/94/42/377759442.db2.gz DKAIQBSVIWGYAS-AWEZNQCLSA-N 1 2 262.353 1.889 20 30 CDEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccoc1 ZINC000345096359 377837997 /nfs/dbraw/zinc/83/79/97/377837997.db2.gz MQYGXFITYVJATR-CQSZACIVSA-N 1 2 261.325 1.520 20 30 CDEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccoc1 ZINC000345096359 377838004 /nfs/dbraw/zinc/83/80/04/377838004.db2.gz MQYGXFITYVJATR-CQSZACIVSA-N 1 2 261.325 1.520 20 30 CDEDLO COC[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000172883483 377787066 /nfs/dbraw/zinc/78/70/66/377787066.db2.gz MLXSFUBQRLAUTB-HNNXBMFYSA-N 1 2 276.336 1.284 20 30 CDEDLO COC[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000172883483 377787073 /nfs/dbraw/zinc/78/70/73/377787073.db2.gz MLXSFUBQRLAUTB-HNNXBMFYSA-N 1 2 276.336 1.284 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000572239830 377796207 /nfs/dbraw/zinc/79/62/07/377796207.db2.gz NJLCENUYJAYUIN-NWDGAFQWSA-N 1 2 295.383 1.030 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000572239830 377796217 /nfs/dbraw/zinc/79/62/17/377796217.db2.gz NJLCENUYJAYUIN-NWDGAFQWSA-N 1 2 295.383 1.030 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000293360869 378570860 /nfs/dbraw/zinc/57/08/60/378570860.db2.gz ZWMLZRGIFZOHHZ-CYBMUJFWSA-N 1 2 256.349 1.919 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000293360869 378570863 /nfs/dbraw/zinc/57/08/63/378570863.db2.gz ZWMLZRGIFZOHHZ-CYBMUJFWSA-N 1 2 256.349 1.919 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000343349601 378803106 /nfs/dbraw/zinc/80/31/06/378803106.db2.gz AKTZZTSFCLUELZ-HOCLYGCPSA-N 1 2 296.411 1.195 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000343349601 378803112 /nfs/dbraw/zinc/80/31/12/378803112.db2.gz AKTZZTSFCLUELZ-HOCLYGCPSA-N 1 2 296.411 1.195 20 30 CDEDLO COCC[N@H+](CC(=O)OC)Cc1ccc(CC#N)cc1 ZINC000343530583 378924338 /nfs/dbraw/zinc/92/43/38/378924338.db2.gz CAPIFXKGXUFZTM-UHFFFAOYSA-N 1 2 276.336 1.374 20 30 CDEDLO COCC[N@@H+](CC(=O)OC)Cc1ccc(CC#N)cc1 ZINC000343530583 378924341 /nfs/dbraw/zinc/92/43/41/378924341.db2.gz CAPIFXKGXUFZTM-UHFFFAOYSA-N 1 2 276.336 1.374 20 30 CDEDLO CCn1cnnc1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443987934 250070340 /nfs/dbraw/zinc/07/03/40/250070340.db2.gz NPGRQOOISBXMNJ-UHFFFAOYSA-N 1 2 255.325 1.768 20 30 CDEDLO C[C@H](C#N)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000344099839 379095718 /nfs/dbraw/zinc/09/57/18/379095718.db2.gz YXSCXCXPLACREQ-GFCCVEGCSA-N 1 2 273.336 1.617 20 30 CDEDLO C=CCOCCC[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344151094 379222956 /nfs/dbraw/zinc/22/29/56/379222956.db2.gz VFDMWTKWEVKIFX-LLVKDONJSA-N 1 2 266.345 1.282 20 30 CDEDLO C=CCOCCC[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344151094 379222969 /nfs/dbraw/zinc/22/29/69/379222969.db2.gz VFDMWTKWEVKIFX-LLVKDONJSA-N 1 2 266.345 1.282 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000278979355 194239002 /nfs/dbraw/zinc/23/90/02/194239002.db2.gz YHEWZYFNYWCMSP-OAHLLOKOSA-N 1 2 273.336 1.586 20 30 CDEDLO C[C@H]1CC[S@@](=O)CC[N@@H+]1CC#Cc1ccccc1 ZINC000334584360 379424724 /nfs/dbraw/zinc/42/47/24/379424724.db2.gz VPKNXRIWPNCDLZ-KBXCAEBGSA-N 1 2 261.390 1.881 20 30 CDEDLO C[C@H]1CC[S@@](=O)CC[N@H+]1CC#Cc1ccccc1 ZINC000334584360 379424734 /nfs/dbraw/zinc/42/47/34/379424734.db2.gz VPKNXRIWPNCDLZ-KBXCAEBGSA-N 1 2 261.390 1.881 20 30 CDEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1ccc(C#N)[nH]1 ZINC000279358953 194399696 /nfs/dbraw/zinc/39/96/96/194399696.db2.gz ROHRMKIUXQBPEW-UHFFFAOYSA-N 1 2 290.367 1.069 20 30 CDEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1ccc(C#N)[nH]1 ZINC000279358953 194399697 /nfs/dbraw/zinc/39/96/97/194399697.db2.gz ROHRMKIUXQBPEW-UHFFFAOYSA-N 1 2 290.367 1.069 20 30 CDEDLO C=CC[N@@H+](CCCC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 ZINC000108871329 262064926 /nfs/dbraw/zinc/06/49/26/262064926.db2.gz UCXPKSZFQBOKOM-GFCCVEGCSA-N 1 2 289.397 1.005 20 30 CDEDLO C=CC[N@H+](CCCC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 ZINC000108871329 262064928 /nfs/dbraw/zinc/06/49/28/262064928.db2.gz UCXPKSZFQBOKOM-GFCCVEGCSA-N 1 2 289.397 1.005 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC1CCCC1 ZINC000042449699 285054528 /nfs/dbraw/zinc/05/45/28/285054528.db2.gz XJRDCJQSDJYECZ-NEPJUHHUSA-N 1 2 251.374 1.915 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC1CCCC1 ZINC000042449699 285054532 /nfs/dbraw/zinc/05/45/32/285054532.db2.gz XJRDCJQSDJYECZ-NEPJUHHUSA-N 1 2 251.374 1.915 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+](CC(=O)OC)[C@H](C)CC ZINC000281466988 195252224 /nfs/dbraw/zinc/25/22/24/195252224.db2.gz VQYSUKWOJYBHCI-CYBMUJFWSA-N 1 2 282.384 1.461 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+](CC(=O)OC)[C@H](C)CC ZINC000281466988 195252227 /nfs/dbraw/zinc/25/22/27/195252227.db2.gz VQYSUKWOJYBHCI-CYBMUJFWSA-N 1 2 282.384 1.461 20 30 CDEDLO N#CC1CC[NH+]([C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000111209685 262258510 /nfs/dbraw/zinc/25/85/10/262258510.db2.gz SDTJDCXHUUALFB-SNVBAGLBSA-N 1 2 275.274 1.385 20 30 CDEDLO Cc1ccc(C#N)c(SCC[NH+]2CCOCC2)n1 ZINC000286082818 390191584 /nfs/dbraw/zinc/19/15/84/390191584.db2.gz JVUMFADAAKDSAQ-UHFFFAOYSA-N 1 2 263.366 1.686 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000187016026 390168374 /nfs/dbraw/zinc/16/83/74/390168374.db2.gz IHSCTTFETGXTHQ-GFCCVEGCSA-N 1 2 257.337 1.529 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000187016026 390168376 /nfs/dbraw/zinc/16/83/76/390168376.db2.gz IHSCTTFETGXTHQ-GFCCVEGCSA-N 1 2 257.337 1.529 20 30 CDEDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000219525508 390209830 /nfs/dbraw/zinc/20/98/30/390209830.db2.gz WBDIBGSQVRRABR-CYBMUJFWSA-N 1 2 275.327 1.798 20 30 CDEDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1F ZINC000219525508 390209833 /nfs/dbraw/zinc/20/98/33/390209833.db2.gz WBDIBGSQVRRABR-CYBMUJFWSA-N 1 2 275.327 1.798 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000448917425 390904974 /nfs/dbraw/zinc/90/49/74/390904974.db2.gz KDEKVDXOTCGLPG-PWSUYJOCSA-N 1 2 290.367 1.034 20 30 CDEDLO N#C[C@H](CCc1ccccc1)C(=O)N1CCn2c[nH+]cc2C1 ZINC000427499148 390915576 /nfs/dbraw/zinc/91/55/76/390915576.db2.gz HWJXFVHDRSTNCW-HNNXBMFYSA-N 1 2 294.358 1.998 20 30 CDEDLO CC(C)c1nc(N2CC[C@H](NC(=O)NC3CC3)C2)cc[nH+]1 ZINC000329571413 391018560 /nfs/dbraw/zinc/01/85/60/391018560.db2.gz MQVCJSLHYOLLKM-LBPRGKRZSA-N 1 2 289.383 1.845 20 30 CDEDLO Cn1c2ccccc2[nH+]c1N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000329598608 391023479 /nfs/dbraw/zinc/02/34/79/391023479.db2.gz WMTUSJUMVSNVOY-GFCCVEGCSA-N 1 2 299.378 1.818 20 30 CDEDLO CN(C)C(=O)C1(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000329532116 391006619 /nfs/dbraw/zinc/00/66/19/391006619.db2.gz JTVQDFIAIGPJMR-UHFFFAOYSA-N 1 2 286.335 1.659 20 30 CDEDLO Cc1cc(C[NH+]=C([O-])N2CCn3c[nH+]cc3C2)on1 ZINC000329547585 391011295 /nfs/dbraw/zinc/01/12/95/391011295.db2.gz HMGAQUYRNFTQJW-UHFFFAOYSA-N 1 2 261.285 1.109 20 30 CDEDLO O=S1(=O)CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC000334429737 391103707 /nfs/dbraw/zinc/10/37/07/391103707.db2.gz ZFIUKCSGVIQPGO-LSDHHAIUSA-N 1 2 275.373 1.157 20 30 CDEDLO O=S1(=O)CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC000334429737 391103711 /nfs/dbraw/zinc/10/37/11/391103711.db2.gz ZFIUKCSGVIQPGO-LSDHHAIUSA-N 1 2 275.373 1.157 20 30 CDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCC1(CC#N)CC1 ZINC000413511813 391077269 /nfs/dbraw/zinc/07/72/69/391077269.db2.gz JNTIBFDFAFPBKG-UHFFFAOYSA-N 1 2 294.399 1.090 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352468228 391149258 /nfs/dbraw/zinc/14/92/58/391149258.db2.gz PSWUAXIFSYTZSK-TZMCWYRMSA-N 1 2 294.374 1.757 20 30 CDEDLO C[C@H](C#N)S(=O)(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000352412005 391128252 /nfs/dbraw/zinc/12/82/52/391128252.db2.gz AVTILCRDOBZZQG-LLVKDONJSA-N 1 2 290.348 1.204 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCOC[C@H]1C#N ZINC000175886355 391142784 /nfs/dbraw/zinc/14/27/84/391142784.db2.gz DVBOFAYRQIJLCC-GFCCVEGCSA-N 1 2 284.319 1.096 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000352453804 391144406 /nfs/dbraw/zinc/14/44/06/391144406.db2.gz QDCKJSMTKRYWKP-SNVBAGLBSA-N 1 2 296.733 1.696 20 30 CDEDLO N#CCCn1ccc(NC(=O)CCn2cc[nH+]c2)n1 ZINC000265297649 391154243 /nfs/dbraw/zinc/15/42/43/391154243.db2.gz FENRMKVIZUSABM-UHFFFAOYSA-N 1 2 258.285 1.022 20 30 CDEDLO COc1cc[nH+]c(CN2CCC(F)(C#N)CC2)c1OC ZINC000352484868 391155259 /nfs/dbraw/zinc/15/52/59/391155259.db2.gz UYOOQMUTOWMSRL-UHFFFAOYSA-N 1 2 279.315 1.926 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000491732015 391246876 /nfs/dbraw/zinc/24/68/76/391246876.db2.gz QQIUNXCOBLLRID-SECBINFHSA-N 1 2 275.264 1.414 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000491732015 391246878 /nfs/dbraw/zinc/24/68/78/391246878.db2.gz QQIUNXCOBLLRID-SECBINFHSA-N 1 2 275.264 1.414 20 30 CDEDLO Cn1cncc1CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000269834243 391256745 /nfs/dbraw/zinc/25/67/45/391256745.db2.gz ACMJWVAEVOMTHG-UHFFFAOYSA-N 1 2 272.308 1.192 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+](CCC(C)(C)C#N)C[C@H](C)O1 ZINC000338357093 391199768 /nfs/dbraw/zinc/19/97/68/391199768.db2.gz MRJHLRUGVHLKHP-QWRGUYRKSA-N 1 2 254.330 1.189 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+](CCC(C)(C)C#N)C[C@H](C)O1 ZINC000338357093 391199771 /nfs/dbraw/zinc/19/97/71/391199771.db2.gz MRJHLRUGVHLKHP-QWRGUYRKSA-N 1 2 254.330 1.189 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCN(C2CCOCC2)C1=O ZINC000330366064 391406101 /nfs/dbraw/zinc/40/61/01/391406101.db2.gz KYZGQLRNJDNCRC-JSGCOSHPSA-N 1 2 279.384 1.248 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCN(C2CCOCC2)C1=O ZINC000330366064 391406102 /nfs/dbraw/zinc/40/61/02/391406102.db2.gz KYZGQLRNJDNCRC-JSGCOSHPSA-N 1 2 279.384 1.248 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCCc1c[nH+]cn1C ZINC000517066978 391342375 /nfs/dbraw/zinc/34/23/75/391342375.db2.gz AXIXJRKQJUNHFT-CHWSQXEVSA-N 1 2 263.341 1.060 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000346283857 391343019 /nfs/dbraw/zinc/34/30/19/391343019.db2.gz SMOCEHOXCOQXJD-DZGCQCFKSA-N 1 2 285.347 1.932 20 30 CDEDLO C=CCCN(C)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000346846535 391374676 /nfs/dbraw/zinc/37/46/76/391374676.db2.gz LHBHHGVSHJKHRC-UHFFFAOYSA-N 1 2 288.395 1.238 20 30 CDEDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(CC)CCC#N ZINC000330458502 391425864 /nfs/dbraw/zinc/42/58/64/391425864.db2.gz RXIAANBPCAKALP-STQMWFEESA-N 1 2 267.373 1.248 20 30 CDEDLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(CC)CCC#N ZINC000330458502 391425868 /nfs/dbraw/zinc/42/58/68/391425868.db2.gz RXIAANBPCAKALP-STQMWFEESA-N 1 2 267.373 1.248 20 30 CDEDLO C[C@H](C#N)NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000125052689 391438420 /nfs/dbraw/zinc/43/84/20/391438420.db2.gz HZAUSBQHZQAQJY-OCCSQVGLSA-N 1 2 289.404 1.805 20 30 CDEDLO Cc1[nH+]ccn1CCC[NH+]=C([O-])N1CCSCC1 ZINC000330407249 391417485 /nfs/dbraw/zinc/41/74/85/391417485.db2.gz ZKQCFRUARCOLPR-UHFFFAOYSA-N 1 2 268.386 1.544 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1csnn1 ZINC000412025348 391546123 /nfs/dbraw/zinc/54/61/23/391546123.db2.gz IJLHGKUQZZZBHJ-JTQLQIEISA-N 1 2 268.386 1.613 20 30 CDEDLO O=C(C[C@H]1CCCO1)NCC1([NH+]2CCOCC2)CC1 ZINC000329910375 391612108 /nfs/dbraw/zinc/61/21/08/391612108.db2.gz VURAOLFGWWQVAB-GFCCVEGCSA-N 1 2 268.357 1.377 20 30 CDEDLO CSc1nnc(CNc2cc(C)[nH+]cc2C#N)s1 ZINC000425260199 391660275 /nfs/dbraw/zinc/66/02/75/391660275.db2.gz WTHCVTJPHJNKGL-UHFFFAOYSA-N 1 2 277.378 1.869 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cn2C)C1=O ZINC000281958253 391667074 /nfs/dbraw/zinc/66/70/74/391667074.db2.gz KDAJNAIJYDYQFL-CYBMUJFWSA-N 1 2 281.787 1.897 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(Cl)cn2C)C1=O ZINC000281958253 391667077 /nfs/dbraw/zinc/66/70/77/391667077.db2.gz KDAJNAIJYDYQFL-CYBMUJFWSA-N 1 2 281.787 1.897 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](Cc2ccccn2)C2CC2)C1=O ZINC000282009981 391669104 /nfs/dbraw/zinc/66/91/04/391669104.db2.gz OIWNXBMIAYGVGW-HNNXBMFYSA-N 1 2 271.364 1.833 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](Cc2ccccn2)C2CC2)C1=O ZINC000282009981 391669108 /nfs/dbraw/zinc/66/91/08/391669108.db2.gz OIWNXBMIAYGVGW-HNNXBMFYSA-N 1 2 271.364 1.833 20 30 CDEDLO N#Cc1ccnc(N2CC[NH+](CCCO)CC2)c1Cl ZINC000341845799 130089065 /nfs/dbraw/zinc/08/90/65/130089065.db2.gz SBLQLBDMLVWLQM-UHFFFAOYSA-N 1 2 280.759 1.111 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413589285 391773886 /nfs/dbraw/zinc/77/38/86/391773886.db2.gz YSDDVSBIJCWFPL-UHFFFAOYSA-N 1 2 297.443 1.999 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000372271473 391844495 /nfs/dbraw/zinc/84/44/95/391844495.db2.gz BXRKZJGJKFLDLM-LBPRGKRZSA-N 1 2 270.373 1.788 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000372271473 391844497 /nfs/dbraw/zinc/84/44/97/391844497.db2.gz BXRKZJGJKFLDLM-LBPRGKRZSA-N 1 2 270.373 1.788 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CC/C=C\c1cncc(OC)c1 ZINC000491382656 391856685 /nfs/dbraw/zinc/85/66/85/391856685.db2.gz JHHSMINZIJAFJF-VOKGJARPSA-N 1 2 272.348 1.828 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CC/C=C\c1cncc(OC)c1 ZINC000491382656 391856687 /nfs/dbraw/zinc/85/66/87/391856687.db2.gz JHHSMINZIJAFJF-VOKGJARPSA-N 1 2 272.348 1.828 20 30 CDEDLO COC(=O)N1CCC(CNc2cc(C)[nH+]cc2C#N)CC1 ZINC000496605148 391925705 /nfs/dbraw/zinc/92/57/05/391925705.db2.gz JQNYKXABRFGPEG-UHFFFAOYSA-N 1 2 288.351 1.574 20 30 CDEDLO CC#CC[C@H](CO)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000646391908 392406972 /nfs/dbraw/zinc/40/69/72/392406972.db2.gz HACMLAKICCIQLJ-GFCCVEGCSA-N 1 2 272.308 1.230 20 30 CDEDLO COc1cc(C[NH+]2CC(c3nc(C)no3)C2)ccc1C#N ZINC000459602750 392491705 /nfs/dbraw/zinc/49/17/05/392491705.db2.gz FNJLUOWEBLAIJA-UHFFFAOYSA-N 1 2 284.319 1.858 20 30 CDEDLO N#Cc1ccccc1N1CCC[N@@H+]([C@@H]2CCOC2=O)CC1 ZINC000298739187 392742038 /nfs/dbraw/zinc/74/20/38/392742038.db2.gz JKVNZBRWCCXPBI-OAHLLOKOSA-N 1 2 285.347 1.386 20 30 CDEDLO N#Cc1ccccc1N1CCC[N@H+]([C@@H]2CCOC2=O)CC1 ZINC000298739187 392742042 /nfs/dbraw/zinc/74/20/42/392742042.db2.gz JKVNZBRWCCXPBI-OAHLLOKOSA-N 1 2 285.347 1.386 20 30 CDEDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000516970828 392817776 /nfs/dbraw/zinc/81/77/76/392817776.db2.gz BSUCFJWELRLWFB-OAHLLOKOSA-N 1 2 299.378 1.848 20 30 CDEDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000516970828 392817782 /nfs/dbraw/zinc/81/77/82/392817782.db2.gz BSUCFJWELRLWFB-OAHLLOKOSA-N 1 2 299.378 1.848 20 30 CDEDLO Cc1cc(C[N@H+]2CCN(C)C(=O)C2(C)C)ccc1C#N ZINC000488231956 392897937 /nfs/dbraw/zinc/89/79/37/392897937.db2.gz MYKBJHZUXYPKPK-UHFFFAOYSA-N 1 2 271.364 1.919 20 30 CDEDLO Cc1cc(C[N@@H+]2CCN(C)C(=O)C2(C)C)ccc1C#N ZINC000488231956 392897941 /nfs/dbraw/zinc/89/79/41/392897941.db2.gz MYKBJHZUXYPKPK-UHFFFAOYSA-N 1 2 271.364 1.919 20 30 CDEDLO Cc1cc(NCCC(=O)NC2CCCCC2)c(C#N)c[nH+]1 ZINC000425218329 392995623 /nfs/dbraw/zinc/99/56/23/392995623.db2.gz XRYKDMKBEZFANE-UHFFFAOYSA-N 1 2 286.379 1.935 20 30 CDEDLO COC(=O)[C@H](O)C1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425241762 393002053 /nfs/dbraw/zinc/00/20/53/393002053.db2.gz QRKXPGGXWXBDLJ-CQSZACIVSA-N 1 2 289.335 1.012 20 30 CDEDLO CCc1n[nH]c(=O)c(CNc2cc(C)[nH+]cc2C#N)c1CC ZINC000425247541 393003758 /nfs/dbraw/zinc/00/37/58/393003758.db2.gz ZUBSBQWQCLVZML-UHFFFAOYSA-N 1 2 297.362 1.916 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000191902838 140138711 /nfs/dbraw/zinc/13/87/11/140138711.db2.gz KNKLHMPBSKVOEW-GFCCVEGCSA-N 1 2 282.340 1.316 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000191902838 140138712 /nfs/dbraw/zinc/13/87/12/140138712.db2.gz KNKLHMPBSKVOEW-GFCCVEGCSA-N 1 2 282.340 1.316 20 30 CDEDLO C=CCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000664226914 413158971 /nfs/dbraw/zinc/15/89/71/413158971.db2.gz TYLJEFJWTPFDGI-VXGBXAGGSA-N 1 2 262.357 1.672 20 30 CDEDLO C=CCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000664226914 413158980 /nfs/dbraw/zinc/15/89/80/413158980.db2.gz TYLJEFJWTPFDGI-VXGBXAGGSA-N 1 2 262.357 1.672 20 30 CDEDLO COCC#CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NC1CC1 ZINC000649660834 397891506 /nfs/dbraw/zinc/89/15/06/397891506.db2.gz CXTXWQZVWJQPKE-QGZVFWFLSA-N 1 2 298.386 1.342 20 30 CDEDLO COCC#CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NC1CC1 ZINC000649660834 397891510 /nfs/dbraw/zinc/89/15/10/397891510.db2.gz CXTXWQZVWJQPKE-QGZVFWFLSA-N 1 2 298.386 1.342 20 30 CDEDLO N#Cc1cccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000335952517 151144664 /nfs/dbraw/zinc/14/46/64/151144664.db2.gz GLBKGPMXUOKSLU-GFCCVEGCSA-N 1 2 266.304 1.956 20 30 CDEDLO N#Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccccc2)o1 ZINC000343160262 152053907 /nfs/dbraw/zinc/05/39/07/152053907.db2.gz LDKVAGZVNAVJID-ZDUSSCGKSA-N 1 2 255.277 1.467 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1 ZINC000352672244 155349061 /nfs/dbraw/zinc/34/90/61/155349061.db2.gz SBYBLIFQJSSOSZ-CVEARBPZSA-N 1 2 272.348 1.938 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1 ZINC000352672244 155349064 /nfs/dbraw/zinc/34/90/64/155349064.db2.gz SBYBLIFQJSSOSZ-CVEARBPZSA-N 1 2 272.348 1.938 20 30 CDEDLO N#Cc1ccc(Cl)c(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000352734109 155399615 /nfs/dbraw/zinc/39/96/15/155399615.db2.gz VSLBIYJQNYLHGV-UHFFFAOYSA-N 1 2 274.711 1.907 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1CO ZINC000362068338 159058151 /nfs/dbraw/zinc/05/81/51/159058151.db2.gz RSZCGNVNHXOKRA-MWLCHTKSSA-N 1 2 279.365 1.118 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1CO ZINC000362068338 159058154 /nfs/dbraw/zinc/05/81/54/159058154.db2.gz RSZCGNVNHXOKRA-MWLCHTKSSA-N 1 2 279.365 1.118 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000187676858 165040868 /nfs/dbraw/zinc/04/08/68/165040868.db2.gz RQESHJHWUPUFEB-FZMZJTMJSA-N 1 2 274.320 1.493 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000187676858 165040875 /nfs/dbraw/zinc/04/08/75/165040875.db2.gz RQESHJHWUPUFEB-FZMZJTMJSA-N 1 2 274.320 1.493 20 30 CDEDLO C[NH+](C)[C@@H](CNS(=O)(=O)CCCCC#N)c1ccco1 ZINC000104106808 412121948 /nfs/dbraw/zinc/12/19/48/412121948.db2.gz ZBYNHTHSRNQFSF-LBPRGKRZSA-N 1 2 299.396 1.496 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@H](CC)[C@H](O)C(F)(F)F)nn1 ZINC000657422368 414308943 /nfs/dbraw/zinc/30/89/43/414308943.db2.gz OMQRUDRPDOWNNA-MNOVXSKESA-N 1 2 292.305 1.646 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@H](CC(N)=O)c2ccccc2)nn1 ZINC000657474616 414374214 /nfs/dbraw/zinc/37/42/14/414374214.db2.gz PMEPVCHMWYAROJ-OAHLLOKOSA-N 1 2 299.378 1.561 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1OC ZINC000044874192 175269029 /nfs/dbraw/zinc/26/90/29/175269029.db2.gz FMYOLPCPSVOKRB-GFCCVEGCSA-N 1 2 262.353 1.818 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1OC ZINC000044874192 175269030 /nfs/dbraw/zinc/26/90/30/175269030.db2.gz FMYOLPCPSVOKRB-GFCCVEGCSA-N 1 2 262.353 1.818 20 30 CDEDLO Cc1nc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)sc1C ZINC000521045052 260070628 /nfs/dbraw/zinc/07/06/28/260070628.db2.gz FVPBBFPMQCKUMM-UHFFFAOYSA-N 1 2 298.375 1.964 20 30 CDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCCCOc1ccccc1 ZINC000078670486 260301806 /nfs/dbraw/zinc/30/18/06/260301806.db2.gz XVQYIVMYABQMBT-UHFFFAOYSA-N 1 2 293.367 1.659 20 30 CDEDLO N#CCC[N@@H+](Cc1cc(=O)n2ccsc2n1)CC1CC1 ZINC000081065533 260330586 /nfs/dbraw/zinc/33/05/86/260330586.db2.gz ZYGQZXVFJFJURZ-UHFFFAOYSA-N 1 2 288.376 1.882 20 30 CDEDLO N#CCC[N@H+](Cc1cc(=O)n2ccsc2n1)CC1CC1 ZINC000081065533 260330588 /nfs/dbraw/zinc/33/05/88/260330588.db2.gz ZYGQZXVFJFJURZ-UHFFFAOYSA-N 1 2 288.376 1.882 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)nc1 ZINC000518394730 260397689 /nfs/dbraw/zinc/39/76/89/260397689.db2.gz XVFTWCPYEPRDMH-LLVKDONJSA-N 1 2 284.323 1.157 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)nc1 ZINC000518394730 260397691 /nfs/dbraw/zinc/39/76/91/260397691.db2.gz XVFTWCPYEPRDMH-LLVKDONJSA-N 1 2 284.323 1.157 20 30 CDEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(C)(C)C#N ZINC000155210494 261099348 /nfs/dbraw/zinc/09/93/48/261099348.db2.gz SWKZOCQRPVWOHX-UHFFFAOYSA-N 1 2 288.351 1.715 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H]1CCC[C@@H]1C1CC1)C(=O)OC ZINC000361111246 261163489 /nfs/dbraw/zinc/16/34/89/261163489.db2.gz RZJBGSNTUPQUMO-RDBSUJKOSA-N 1 2 267.369 1.899 20 30 CDEDLO CC[C@@]1(C)C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CCO1 ZINC000249001391 261234745 /nfs/dbraw/zinc/23/47/45/261234745.db2.gz YUBRACHTPWUMPB-LSDHHAIUSA-N 1 2 281.400 1.542 20 30 CDEDLO CC[C@@]1(C)C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CCO1 ZINC000249001391 261234747 /nfs/dbraw/zinc/23/47/47/261234747.db2.gz YUBRACHTPWUMPB-LSDHHAIUSA-N 1 2 281.400 1.542 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)CCC(C)(C)C#N)n1 ZINC000491146618 261349885 /nfs/dbraw/zinc/34/98/85/261349885.db2.gz ORBPESJJUPHPJE-UHFFFAOYSA-N 1 2 288.395 1.905 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)CCC(C)(C)C#N)n1 ZINC000491146618 261349886 /nfs/dbraw/zinc/34/98/86/261349886.db2.gz ORBPESJJUPHPJE-UHFFFAOYSA-N 1 2 288.395 1.905 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1c(C)nn(C)c1N1CCOCC1 ZINC000184093558 262009283 /nfs/dbraw/zinc/00/92/83/262009283.db2.gz OMTWXYGXAGGRNY-ZDUSSCGKSA-N 1 2 291.399 1.347 20 30 CDEDLO Cc1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)co1 ZINC000189233257 262169498 /nfs/dbraw/zinc/16/94/98/262169498.db2.gz FFIHIJKVXAFXIM-UHFFFAOYSA-N 1 2 291.351 1.276 20 30 CDEDLO NC(Cc1ccccc1Cl)=[NH+]OCC1OCCO1 ZINC000191991359 262197602 /nfs/dbraw/zinc/19/76/02/262197602.db2.gz DCQOAPHMRPKLQJ-UHFFFAOYSA-N 1 2 270.716 1.544 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)NC2(C)CCCC2)C1 ZINC000329104604 262266944 /nfs/dbraw/zinc/26/69/44/262266944.db2.gz GRMPKLUNBUETCE-NSHDSACASA-N 1 2 255.362 1.153 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNC(=O)NC2(C)CCCC2)C1 ZINC000329104604 262266945 /nfs/dbraw/zinc/26/69/45/262266945.db2.gz GRMPKLUNBUETCE-NSHDSACASA-N 1 2 255.362 1.153 20 30 CDEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)/C=N\OC ZINC000289385172 263109789 /nfs/dbraw/zinc/10/97/89/263109789.db2.gz OEOSEUZPMQUNST-SAIXKJTDSA-N 1 2 264.329 1.589 20 30 CDEDLO N#CCc1cccc(C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000291123843 263120315 /nfs/dbraw/zinc/12/03/15/263120315.db2.gz NORYKRMYZJVRRT-UHFFFAOYSA-N 1 2 266.304 1.605 20 30 CDEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(C(=O)c3ccccn3)CC2)C1 ZINC000292772515 263134773 /nfs/dbraw/zinc/13/47/73/263134773.db2.gz JUHZZDKBTCKGKN-ZIAGYGMSSA-N 1 2 284.363 1.532 20 30 CDEDLO C=CCN(CCC#N)C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000293640467 263145611 /nfs/dbraw/zinc/14/56/11/263145611.db2.gz DHYJLMLWOQSERA-OAHLLOKOSA-N 1 2 291.395 1.416 20 30 CDEDLO C=CCN(CCC#N)C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000293640467 263145613 /nfs/dbraw/zinc/14/56/13/263145613.db2.gz DHYJLMLWOQSERA-OAHLLOKOSA-N 1 2 291.395 1.416 20 30 CDEDLO C[C@H](C#N)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000340437720 263147833 /nfs/dbraw/zinc/14/78/33/263147833.db2.gz ZUSZXTFPZNZTJH-LLVKDONJSA-N 1 2 254.293 1.573 20 30 CDEDLO CCn1cc([C@@H]2C[N@@H+]([C@H]3CC[C@@H](C#N)C3)CCO2)cn1 ZINC000294660150 263165606 /nfs/dbraw/zinc/16/56/06/263165606.db2.gz RDZTXISIOFLUFP-SNPRPXQTSA-N 1 2 274.368 1.969 20 30 CDEDLO CCn1cc([C@@H]2C[N@H+]([C@H]3CC[C@@H](C#N)C3)CCO2)cn1 ZINC000294660150 263165607 /nfs/dbraw/zinc/16/56/07/263165607.db2.gz RDZTXISIOFLUFP-SNPRPXQTSA-N 1 2 274.368 1.969 20 30 CDEDLO C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+](C)C[C@H](C)C#N ZINC000299147827 263232147 /nfs/dbraw/zinc/23/21/47/263232147.db2.gz CTZTZEZVOJVKMF-CHWSQXEVSA-N 1 2 291.370 1.964 20 30 CDEDLO C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)C[C@H](C)C#N ZINC000299147827 263232150 /nfs/dbraw/zinc/23/21/50/263232150.db2.gz CTZTZEZVOJVKMF-CHWSQXEVSA-N 1 2 291.370 1.964 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cccc(F)n2)CC1 ZINC000119660454 263277127 /nfs/dbraw/zinc/27/71/27/263277127.db2.gz SQPTWHQCJVWIKT-UHFFFAOYSA-N 1 2 261.300 1.002 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1nnc(CC(C)C)s1 ZINC000121270442 263292856 /nfs/dbraw/zinc/29/28/56/263292856.db2.gz KOYJMGYIDYVQHS-UHFFFAOYSA-N 1 2 268.386 1.793 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1nnc(CC(C)C)s1 ZINC000121270442 263292857 /nfs/dbraw/zinc/29/28/57/263292857.db2.gz KOYJMGYIDYVQHS-UHFFFAOYSA-N 1 2 268.386 1.793 20 30 CDEDLO C[C@H]1OCC[N@@H+](CC#CCN2CCO[C@@H](C)[C@@H]2C)[C@H]1C ZINC000341873078 263361481 /nfs/dbraw/zinc/36/14/81/263361481.db2.gz RNKMASSTKBXSRI-YHUYYLMFSA-N 1 2 280.412 1.208 20 30 CDEDLO C[C@H]1OCC[N@H+](CC#CCN2CCO[C@@H](C)[C@@H]2C)[C@H]1C ZINC000341873078 263361483 /nfs/dbraw/zinc/36/14/83/263361483.db2.gz RNKMASSTKBXSRI-YHUYYLMFSA-N 1 2 280.412 1.208 20 30 CDEDLO C[C@H]1OCCN(CC#CC[N@@H+]2CCO[C@@H](C)[C@@H]2C)[C@H]1C ZINC000341873078 263361484 /nfs/dbraw/zinc/36/14/84/263361484.db2.gz RNKMASSTKBXSRI-YHUYYLMFSA-N 1 2 280.412 1.208 20 30 CDEDLO C[C@H]1OCCN(CC#CC[N@H+]2CCO[C@@H](C)[C@@H]2C)[C@H]1C ZINC000341873078 263361487 /nfs/dbraw/zinc/36/14/87/263361487.db2.gz RNKMASSTKBXSRI-YHUYYLMFSA-N 1 2 280.412 1.208 20 30 CDEDLO CCCCNC(=O)C[NH+]1CCC(C#N)(COC)CC1 ZINC000341990015 263382301 /nfs/dbraw/zinc/38/23/01/263382301.db2.gz LBJBIQSNBYWRKP-UHFFFAOYSA-N 1 2 267.373 1.155 20 30 CDEDLO C[N@H+](CC(=O)NCC#N)[C@@]1(c2ccccc2)CCCCC1=O ZINC000342140953 263398906 /nfs/dbraw/zinc/39/89/06/263398906.db2.gz YYSQLORZLYMAIE-QGZVFWFLSA-N 1 2 299.374 1.597 20 30 CDEDLO C[N@@H+](CC(=O)NCC#N)[C@@]1(c2ccccc2)CCCCC1=O ZINC000342140953 263398909 /nfs/dbraw/zinc/39/89/09/263398909.db2.gz YYSQLORZLYMAIE-QGZVFWFLSA-N 1 2 299.374 1.597 20 30 CDEDLO CC(C)[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CCO1 ZINC000330735543 264037538 /nfs/dbraw/zinc/03/75/38/264037538.db2.gz LPXOBJMEOFOBPA-OFQRWUPVSA-N 1 2 295.427 1.786 20 30 CDEDLO CC(C)[C@@H]1C[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CCO1 ZINC000330735543 264037539 /nfs/dbraw/zinc/03/75/39/264037539.db2.gz LPXOBJMEOFOBPA-OFQRWUPVSA-N 1 2 295.427 1.786 20 30 CDEDLO Cc1nc(C)c(C(=O)N[C@H](C)Cn2cc[nH+]c2)nc1C ZINC000330921008 264093776 /nfs/dbraw/zinc/09/37/76/264093776.db2.gz PXPALAKCJFISRB-SECBINFHSA-N 1 2 273.340 1.992 20 30 CDEDLO C=CCCn1cc(C[N@@H+](CCCO)C2CC2)nn1 ZINC000653557469 424280090 /nfs/dbraw/zinc/28/00/90/424280090.db2.gz WIMBXPDQSKVCHI-UHFFFAOYSA-N 1 2 250.346 1.201 20 30 CDEDLO C=CCCn1cc(C[N@H+](CCCO)C2CC2)nn1 ZINC000653557469 424280100 /nfs/dbraw/zinc/28/01/00/424280100.db2.gz WIMBXPDQSKVCHI-UHFFFAOYSA-N 1 2 250.346 1.201 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000518963790 265251518 /nfs/dbraw/zinc/25/15/18/265251518.db2.gz QGRGYHZSHYSTEW-RDBSUJKOSA-N 1 2 289.379 1.969 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000356487187 266123977 /nfs/dbraw/zinc/12/39/77/266123977.db2.gz YXMQSLYHJRFAEU-IPYPFGDCSA-N 1 2 278.400 1.911 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000356487187 266123981 /nfs/dbraw/zinc/12/39/81/266123981.db2.gz YXMQSLYHJRFAEU-IPYPFGDCSA-N 1 2 278.400 1.911 20 30 CDEDLO C[C@H](C(=O)N1C[C@@H](C)C[C@H](C)C1)[N@@H+](C)C[C@H](C)C#N ZINC000358507294 266470916 /nfs/dbraw/zinc/47/09/16/266470916.db2.gz JUVNNDXRQYQXKW-IGQOVBAYSA-N 1 2 265.401 1.971 20 30 CDEDLO C[C@H](C(=O)N1C[C@@H](C)C[C@H](C)C1)[N@H+](C)C[C@H](C)C#N ZINC000358507294 266470919 /nfs/dbraw/zinc/47/09/19/266470919.db2.gz JUVNNDXRQYQXKW-IGQOVBAYSA-N 1 2 265.401 1.971 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCOC[C@H]1CC ZINC000115573567 267099284 /nfs/dbraw/zinc/09/92/84/267099284.db2.gz GDHTWRZWWDKEEV-CYBMUJFWSA-N 1 2 252.358 1.298 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCOC[C@H]1CC ZINC000115573567 267099286 /nfs/dbraw/zinc/09/92/86/267099286.db2.gz GDHTWRZWWDKEEV-CYBMUJFWSA-N 1 2 252.358 1.298 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000220919966 267146645 /nfs/dbraw/zinc/14/66/45/267146645.db2.gz HXMYYNYZKJOEJQ-TZMCWYRMSA-N 1 2 273.336 1.532 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000220919966 267146649 /nfs/dbraw/zinc/14/66/49/267146649.db2.gz 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/nfs/dbraw/zinc/04/20/18/278042018.db2.gz BGOKOSFZHQYQCT-LBPRGKRZSA-N 1 2 257.337 1.611 20 30 CDEDLO CC(=O)N1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000268628836 278042020 /nfs/dbraw/zinc/04/20/20/278042020.db2.gz BGOKOSFZHQYQCT-LBPRGKRZSA-N 1 2 257.337 1.611 20 30 CDEDLO CC1(C)CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1C#N ZINC000336408858 278213488 /nfs/dbraw/zinc/21/34/88/278213488.db2.gz KWRNJJVUDCKYID-JSGCOSHPSA-N 1 2 286.379 1.986 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000574570700 295020283 /nfs/dbraw/zinc/02/02/83/295020283.db2.gz LUAJBQFZUQVOLW-NEPJUHHUSA-N 1 2 291.376 1.669 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000574570700 295020285 /nfs/dbraw/zinc/02/02/85/295020285.db2.gz LUAJBQFZUQVOLW-NEPJUHHUSA-N 1 2 291.376 1.669 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccc(F)cc1Cl ZINC000563220339 327980309 /nfs/dbraw/zinc/98/03/09/327980309.db2.gz LGUCGDVTOGCCQV-AWEZNQCLSA-N 1 2 297.761 1.982 20 30 CDEDLO CNC(=O)NC1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000576102390 317075079 /nfs/dbraw/zinc/07/50/79/317075079.db2.gz ZDYWIHYDCYGOEK-UHFFFAOYSA-N 1 2 273.340 1.160 20 30 CDEDLO CC(C)OC(=O)CCC/[NH+]=C/c1ccc(O)c(O)c1O ZINC000274123723 328208426 /nfs/dbraw/zinc/20/84/26/328208426.db2.gz ZNCFKAUBNGNEDO-OVCLIPMQSA-N 1 2 281.308 1.954 20 30 CDEDLO NC(=[NH+]OCCCOc1ccccc1)[C@H]1CCCO1 ZINC000284458180 328246153 /nfs/dbraw/zinc/24/61/53/328246153.db2.gz QMCSWQBRPIVOQJ-CYBMUJFWSA-N 1 2 264.325 1.923 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000305173384 328395813 /nfs/dbraw/zinc/39/58/13/328395813.db2.gz USVAUIBGVDKANS-GXSJLCMTSA-N 1 2 294.317 1.312 20 30 CDEDLO Cc1cc(N[C@@H]2CCN(c3ncccc3F)C2)c(C#N)c[nH+]1 ZINC000579102786 324103508 /nfs/dbraw/zinc/10/35/08/324103508.db2.gz SEMANSGXLPCXNQ-CYBMUJFWSA-N 1 2 297.337 1.909 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](Nc1ccnc(C#N)n1)C1CC1 ZINC000579376650 324174880 /nfs/dbraw/zinc/17/48/80/324174880.db2.gz ZCEULOXAXXBGAJ-LBPRGKRZSA-N 1 2 254.297 1.645 20 30 CDEDLO CC(=O)NCC[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000580190982 324395226 /nfs/dbraw/zinc/39/52/26/324395226.db2.gz CHRHLHCMLOWKNQ-UHFFFAOYSA-N 1 2 299.334 1.176 20 30 CDEDLO CC(=O)NCC[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000580190982 324395229 /nfs/dbraw/zinc/39/52/29/324395229.db2.gz CHRHLHCMLOWKNQ-UHFFFAOYSA-N 1 2 299.334 1.176 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)n(C)n1 ZINC000582775223 325040744 /nfs/dbraw/zinc/04/07/44/325040744.db2.gz RAVOCBQSUQPLSY-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO C#CC[N@H+](CCC(C)(C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000119633675 330378002 /nfs/dbraw/zinc/37/80/02/330378002.db2.gz DVLRELAGAKBUFA-GFCCVEGCSA-N 1 2 268.382 1.049 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000451181382 331018989 /nfs/dbraw/zinc/01/89/89/331018989.db2.gz FHYQRVHGTMLBPE-NTZNESFSSA-N 1 2 255.337 1.473 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](F)C1 ZINC000451181382 331018990 /nfs/dbraw/zinc/01/89/90/331018990.db2.gz FHYQRVHGTMLBPE-NTZNESFSSA-N 1 2 255.337 1.473 20 30 CDEDLO N#CCC[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000576271886 327027060 /nfs/dbraw/zinc/02/70/60/327027060.db2.gz LUARRGDYJAJNNN-LBPRGKRZSA-N 1 2 263.728 1.949 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cn2ccccc2n1 ZINC000558494673 327097911 /nfs/dbraw/zinc/09/79/11/327097911.db2.gz JBWUYHYYPGZHNX-LBPRGKRZSA-N 1 2 253.309 1.867 20 30 CDEDLO C[C@H](Oc1ccccc1F)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000566306480 327297347 /nfs/dbraw/zinc/29/73/47/327297347.db2.gz QWIXQPFONCXBJN-XHDPSFHLSA-N 1 2 293.342 1.553 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)NCC1(C#N)CC1 ZINC000562469469 327483412 /nfs/dbraw/zinc/48/34/12/327483412.db2.gz CLAHPBGADDAVOC-UHFFFAOYSA-N 1 2 268.320 1.765 20 30 CDEDLO C[C@@H](CNC(=O)C1(C#N)CC(C)C1)Cn1cc[nH+]c1 ZINC000532332211 328771054 /nfs/dbraw/zinc/77/10/54/328771054.db2.gz ZURYFDPIUKATJZ-LXVYMNJGSA-N 1 2 260.341 1.575 20 30 CDEDLO CCc1nc([C@H](C)[NH2+]CC(=O)NC2(C#N)CCC2)cs1 ZINC000526287338 328773519 /nfs/dbraw/zinc/77/35/19/328773519.db2.gz SHXUXSGPFMOVQR-JTQLQIEISA-N 1 2 292.408 1.919 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(-n2cccn2)cc1 ZINC000582609364 329116191 /nfs/dbraw/zinc/11/61/91/329116191.db2.gz OHFDXAYGSRFTFI-INIZCTEOSA-N 1 2 297.362 1.446 20 30 CDEDLO C=CC[N@@H+](C[C@@H]1CCC(C)(C)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000184655456 329261931 /nfs/dbraw/zinc/26/19/31/329261931.db2.gz OHXLUHZQAQTVHL-OLZOCXBDSA-N 1 2 287.425 1.619 20 30 CDEDLO C=CC[N@H+](C[C@@H]1CCC(C)(C)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000184655456 329261932 /nfs/dbraw/zinc/26/19/32/329261932.db2.gz OHXLUHZQAQTVHL-OLZOCXBDSA-N 1 2 287.425 1.619 20 30 CDEDLO CCSc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cn1 ZINC000583068103 329309927 /nfs/dbraw/zinc/30/99/27/329309927.db2.gz STDHMSASJSHYOB-AWEZNQCLSA-N 1 2 292.408 1.767 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000572337255 329984789 /nfs/dbraw/zinc/98/47/89/329984789.db2.gz KVQUHJULIBMSQG-ZDUSSCGKSA-N 1 2 276.296 1.168 20 30 CDEDLO C=CCNC(=O)C[N@H+]1Cc2ccccc2OC[C@H]1C ZINC000273044252 330088638 /nfs/dbraw/zinc/08/86/38/330088638.db2.gz XKNKFHSNPHYAJQ-GFCCVEGCSA-N 1 2 260.337 1.572 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1Cc2ccccc2OC[C@H]1C ZINC000273044252 330088639 /nfs/dbraw/zinc/08/86/39/330088639.db2.gz XKNKFHSNPHYAJQ-GFCCVEGCSA-N 1 2 260.337 1.572 20 30 CDEDLO C#CCN(C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CC1 ZINC000274162751 330103429 /nfs/dbraw/zinc/10/34/29/330103429.db2.gz VBALIKKAVASSCC-ZDUSSCGKSA-N 1 2 284.363 1.468 20 30 CDEDLO CC(C)(C#N)CCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000081515471 330212499 /nfs/dbraw/zinc/21/24/99/330212499.db2.gz DDOYMMJFOQXKCW-UHFFFAOYSA-N 1 2 292.427 1.864 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)NCCCn2cc[nH+]c2)C1 ZINC000424064493 330219000 /nfs/dbraw/zinc/21/90/00/330219000.db2.gz OKULEDDXJGMLSE-NWDGAFQWSA-N 1 2 261.329 1.265 20 30 CDEDLO C=CCn1cc(CN[C@H](C)c2[nH+]ccn2CC)nn1 ZINC000424299576 330336896 /nfs/dbraw/zinc/33/68/96/330336896.db2.gz VQEFMSTUBDGYKT-LLVKDONJSA-N 1 2 260.345 1.531 20 30 CDEDLO C#CC[N@@H+](CCC(C)(C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000119633675 330378001 /nfs/dbraw/zinc/37/80/01/330378001.db2.gz DVLRELAGAKBUFA-GFCCVEGCSA-N 1 2 268.382 1.049 20 30 CDEDLO C[C@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000448599645 330721782 /nfs/dbraw/zinc/72/17/82/330721782.db2.gz XJKJLOLMDKJNDJ-BBRMVZONSA-N 1 2 284.363 1.276 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3CCSC[C@@H]3C#N)ccn12 ZINC000575000633 330850438 /nfs/dbraw/zinc/85/04/38/330850438.db2.gz IVPAFSFTLMNECK-LBPRGKRZSA-N 1 2 286.360 1.724 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nn(C)cc1Br ZINC000451615546 331037120 /nfs/dbraw/zinc/03/71/20/331037120.db2.gz WHMOCRXLCLVSLE-KOLCDFICSA-N 1 2 286.173 1.616 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCOc2ccc(OC)cc2C1 ZINC000451641946 331037713 /nfs/dbraw/zinc/03/77/13/331037713.db2.gz JLWMCWINWDKIGM-GFCCVEGCSA-N 1 2 290.363 1.580 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCOc2ccc(OC)cc2C1 ZINC000451641946 331037714 /nfs/dbraw/zinc/03/77/14/331037714.db2.gz JLWMCWINWDKIGM-GFCCVEGCSA-N 1 2 290.363 1.580 20 30 CDEDLO COCC[N@H+](CC#N)C[C@H](C)CC1CCOCC1 ZINC000453595978 331135494 /nfs/dbraw/zinc/13/54/94/331135494.db2.gz IOOFHDLHRVXOOP-CYBMUJFWSA-N 1 2 254.374 1.911 20 30 CDEDLO COCC[N@@H+](CC#N)C[C@H](C)CC1CCOCC1 ZINC000453595978 331135495 /nfs/dbraw/zinc/13/54/95/331135495.db2.gz IOOFHDLHRVXOOP-CYBMUJFWSA-N 1 2 254.374 1.911 20 30 CDEDLO C=CCCCCNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000490201834 332084435 /nfs/dbraw/zinc/08/44/35/332084435.db2.gz MTDNEMNQIDHNDB-CQSZACIVSA-N 1 2 281.400 1.505 20 30 CDEDLO C=CCCCCNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000490201834 332084437 /nfs/dbraw/zinc/08/44/37/332084437.db2.gz MTDNEMNQIDHNDB-CQSZACIVSA-N 1 2 281.400 1.505 20 30 CDEDLO C#CC[N@@H+](CC(=O)N(C)OC)[C@@H]1CCc2ccccc21 ZINC000490914435 332128600 /nfs/dbraw/zinc/12/86/00/332128600.db2.gz IMBOZDDOVNORFL-OAHLLOKOSA-N 1 2 272.348 1.629 20 30 CDEDLO C#CC[N@H+](CC(=O)N(C)OC)[C@@H]1CCc2ccccc21 ZINC000490914435 332128601 /nfs/dbraw/zinc/12/86/01/332128601.db2.gz IMBOZDDOVNORFL-OAHLLOKOSA-N 1 2 272.348 1.629 20 30 CDEDLO C#CCN(C(=O)[C@H](C)[NH+]1CCN(C)CC1)C1CCCCC1 ZINC000490936120 332131088 /nfs/dbraw/zinc/13/10/88/332131088.db2.gz PNCVZAPZOBEUOW-HNNXBMFYSA-N 1 2 291.439 1.417 20 30 CDEDLO C#CC[N@@H+](CC(=O)N(C)OC)Cc1ccc(F)cc1 ZINC000491178572 332160715 /nfs/dbraw/zinc/16/07/15/332160715.db2.gz AAHIFDLYMPMYKU-UHFFFAOYSA-N 1 2 264.300 1.281 20 30 CDEDLO C#CC[N@H+](CC(=O)N(C)OC)Cc1ccc(F)cc1 ZINC000491178572 332160716 /nfs/dbraw/zinc/16/07/16/332160716.db2.gz AAHIFDLYMPMYKU-UHFFFAOYSA-N 1 2 264.300 1.281 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCCCOc1ccccc1F ZINC000491240522 332171768 /nfs/dbraw/zinc/17/17/68/332171768.db2.gz ALBQXFDXRMXCCE-UHFFFAOYSA-N 1 2 278.327 1.276 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCCCOc1ccccc1F ZINC000491240522 332171770 /nfs/dbraw/zinc/17/17/70/332171770.db2.gz ALBQXFDXRMXCCE-UHFFFAOYSA-N 1 2 278.327 1.276 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CC[C@@H](C(=O)OC)c1ccccc1 ZINC000491385451 332202056 /nfs/dbraw/zinc/20/20/56/332202056.db2.gz RONTWIVKEKEJQM-HZPDHXFCSA-N 1 2 287.359 1.667 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CC[C@@H](C(=O)OC)c1ccccc1 ZINC000491385451 332202057 /nfs/dbraw/zinc/20/20/57/332202057.db2.gz RONTWIVKEKEJQM-HZPDHXFCSA-N 1 2 287.359 1.667 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)N1CCCc2cc(OC)ccc21 ZINC000491416773 332207875 /nfs/dbraw/zinc/20/78/75/332207875.db2.gz LTMOTLCCIFXPNQ-UHFFFAOYSA-N 1 2 286.375 1.930 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)N1CCCc2cc(OC)ccc21 ZINC000491416773 332207876 /nfs/dbraw/zinc/20/78/76/332207876.db2.gz LTMOTLCCIFXPNQ-UHFFFAOYSA-N 1 2 286.375 1.930 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000491486308 332220819 /nfs/dbraw/zinc/22/08/19/332220819.db2.gz VDDJHSUVVZTINT-NXEZZACHSA-N 1 2 287.285 1.936 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1OCC ZINC000172168058 335096590 /nfs/dbraw/zinc/09/65/90/335096590.db2.gz IJSLOXXTWBDQAI-ZDUSSCGKSA-N 1 2 274.364 1.655 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1OCC ZINC000172168058 335096592 /nfs/dbraw/zinc/09/65/92/335096592.db2.gz IJSLOXXTWBDQAI-ZDUSSCGKSA-N 1 2 274.364 1.655 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cccnc1Cl ZINC000491623747 332247735 /nfs/dbraw/zinc/24/77/35/332247735.db2.gz JVWPZICSOGZBHL-VIFPVBQESA-N 1 2 251.717 1.627 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cccnc1Cl ZINC000491623747 332247736 /nfs/dbraw/zinc/24/77/36/332247736.db2.gz JVWPZICSOGZBHL-VIFPVBQESA-N 1 2 251.717 1.627 20 30 CDEDLO C#CC[N@@H+](CCc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000491676183 332281665 /nfs/dbraw/zinc/28/16/65/332281665.db2.gz YTFLWIJCYHHMDX-MRXNPFEDSA-N 1 2 291.416 1.660 20 30 CDEDLO C#CC[N@H+](CCc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000491676183 332281666 /nfs/dbraw/zinc/28/16/66/332281666.db2.gz YTFLWIJCYHHMDX-MRXNPFEDSA-N 1 2 291.416 1.660 20 30 CDEDLO C#C[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)C(C)(C)C ZINC000491782171 332345781 /nfs/dbraw/zinc/34/57/81/332345781.db2.gz OKXMIEPFLCPFOQ-STQMWFEESA-N 1 2 288.395 1.967 20 30 CDEDLO C#C[C@H](CCC)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000491786393 332349049 /nfs/dbraw/zinc/34/90/49/332349049.db2.gz UOIQZJNZOIOMIF-MELADBBJSA-N 1 2 281.400 1.197 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000521266537 333116724 /nfs/dbraw/zinc/11/67/24/333116724.db2.gz DDQSOHOGQHOUBJ-GFCCVEGCSA-N 1 2 288.351 1.865 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000522984127 333303307 /nfs/dbraw/zinc/30/33/07/333303307.db2.gz CNRKYSUSOSYMHP-AAEUAGOBSA-N 1 2 268.320 1.785 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000567188800 334688741 /nfs/dbraw/zinc/68/87/41/334688741.db2.gz OPDKUSITIZDYCP-KGLIPLIRSA-N 1 2 285.347 1.850 20 30 CDEDLO CO[C@@H](CC(C)C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000567617795 334741011 /nfs/dbraw/zinc/74/10/11/334741011.db2.gz VCJPUCWXQQTUKE-AAEUAGOBSA-N 1 2 255.362 1.008 20 30 CDEDLO COCCOc1ncccc1C[NH2+]C[C@H](C#N)CCC#N ZINC000567726070 334755982 /nfs/dbraw/zinc/75/59/82/334755982.db2.gz XQYATLFPOZKKRZ-ZDUSSCGKSA-N 1 2 288.351 1.640 20 30 CDEDLO Cc1ccc(OCC(=O)N[C@](C)(C#N)C[NH+](C)C)c(C)c1 ZINC000580557644 335280133 /nfs/dbraw/zinc/28/01/33/335280133.db2.gz TZYCJEPLEHDQNX-MRXNPFEDSA-N 1 2 289.379 1.642 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccc(OC)cc2F)nn1 ZINC000577378720 335345080 /nfs/dbraw/zinc/34/50/80/335345080.db2.gz ARLQRZWPQUFMOM-UHFFFAOYSA-N 1 2 276.315 1.902 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N(C)c1nccs1 ZINC000577884368 335416917 /nfs/dbraw/zinc/41/69/17/335416917.db2.gz KQZBPRDQWIYBSQ-VIFPVBQESA-N 1 2 252.343 1.388 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnc2ccccc2n1 ZINC000578940475 335691007 /nfs/dbraw/zinc/69/10/07/335691007.db2.gz NYUHUJOONJVORV-HNNXBMFYSA-N 1 2 283.335 1.203 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccc(Cl)c(F)c1 ZINC000579013377 335700345 /nfs/dbraw/zinc/70/03/45/335700345.db2.gz ASJKXDZDLMJVRJ-AWEZNQCLSA-N 1 2 297.761 1.982 20 30 CDEDLO C[C@@H](CC(=O)Nc1cc(CC#N)ccn1)n1cc[nH+]c1 ZINC000581492097 336089020 /nfs/dbraw/zinc/08/90/20/336089020.db2.gz UAQQVNRSYKNWEP-NSHDSACASA-N 1 2 269.308 1.934 20 30 CDEDLO C=CCn1cc(CNc2cc(N3CCCCC3)nc[nH+]2)nn1 ZINC000581663301 336120267 /nfs/dbraw/zinc/12/02/67/336120267.db2.gz MXMZCEDLARJZMY-UHFFFAOYSA-N 1 2 299.382 1.857 20 30 CDEDLO C=CCn1cc(CNc2cc(N3CCCCC3)[nH+]cn2)nn1 ZINC000581663301 336120268 /nfs/dbraw/zinc/12/02/68/336120268.db2.gz MXMZCEDLARJZMY-UHFFFAOYSA-N 1 2 299.382 1.857 20 30 CDEDLO CCc1nnc(C[NH2+][C@H](C)CNC(=O)C#CC(C)(C)C)o1 ZINC001752869282 1160815686 /nfs/dbraw/zinc/81/56/86/1160815686.db2.gz JELHHPJXWBZWTO-LLVKDONJSA-N 1 2 292.383 1.276 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc(CC#N)cc2C)C[NH2+]1 ZINC001169132288 1161999541 /nfs/dbraw/zinc/99/95/41/1161999541.db2.gz JCOZQVKCNBELKU-OCCSQVGLSA-N 1 2 273.336 1.377 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](C)OCCCC)CC1 ZINC001112676435 1162050867 /nfs/dbraw/zinc/05/08/67/1162050867.db2.gz LRGGDKZVSRDCTO-AWEZNQCLSA-N 1 2 268.401 1.912 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)COCc2ccccc2C)CC1 ZINC001113419924 1162172240 /nfs/dbraw/zinc/17/22/40/1162172240.db2.gz JXFAWVDWVJUMOW-UHFFFAOYSA-N 1 2 288.391 1.842 20 30 CDEDLO CN(C)c1cc(C#N)cc(C(=O)N(C)Cc2[nH]cc[nH+]2)c1 ZINC000340059294 522113360 /nfs/dbraw/zinc/11/33/60/522113360.db2.gz MOEASXALFQIIGH-UHFFFAOYSA-N 1 2 283.335 1.620 20 30 CDEDLO C=CCO[C@H](C)C(=O)N1CC[NH+](CC(=C)C)CC1 ZINC001113713832 1162264650 /nfs/dbraw/zinc/26/46/50/1162264650.db2.gz ZZIVUSZJFGYZGJ-CYBMUJFWSA-N 1 2 252.358 1.298 20 30 CDEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000331557408 534750485 /nfs/dbraw/zinc/75/04/85/534750485.db2.gz CCHJMBMJGQWUHU-ZYHUDNBSSA-N 1 2 287.319 1.636 20 30 CDEDLO C=CC[N@@H+](Cc1nc(=O)n(C)[nH]1)Cc1ccccc1 ZINC000353481097 526381463 /nfs/dbraw/zinc/38/14/63/526381463.db2.gz QUQYVOZYPOXVQV-UHFFFAOYSA-N 1 2 258.325 1.297 20 30 CDEDLO C=CC[N@H+](Cc1nc(=O)n(C)[nH]1)Cc1ccccc1 ZINC000353481097 526381469 /nfs/dbraw/zinc/38/14/69/526381469.db2.gz QUQYVOZYPOXVQV-UHFFFAOYSA-N 1 2 258.325 1.297 20 30 CDEDLO C=C(C)C[N@@H+](CC(=O)NCC(C)C)Cc1ccc(CO)o1 ZINC000352797731 526509565 /nfs/dbraw/zinc/50/95/65/526509565.db2.gz BNIJPHRSFKLFBG-UHFFFAOYSA-N 1 2 294.395 1.922 20 30 CDEDLO C=C(C)C[N@H+](CC(=O)NCC(C)C)Cc1ccc(CO)o1 ZINC000352797731 526509568 /nfs/dbraw/zinc/50/95/68/526509568.db2.gz BNIJPHRSFKLFBG-UHFFFAOYSA-N 1 2 294.395 1.922 20 30 CDEDLO C=C(C)CNC(=O)[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000343689006 526621938 /nfs/dbraw/zinc/62/19/38/526621938.db2.gz ZJFAEZDPJHLPDN-STQMWFEESA-N 1 2 259.353 1.846 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc[nH+]cc1CC ZINC000330176022 526840135 /nfs/dbraw/zinc/84/01/35/526840135.db2.gz JPIGKWUAMYZGTB-TZMCWYRMSA-N 1 2 260.337 1.986 20 30 CDEDLO C=CC1CCN(C(=O)[C@@H]([NH3+])c2cscn2)CC1 ZINC000335007089 526972114 /nfs/dbraw/zinc/97/21/14/526972114.db2.gz DSPGTNOMGQQUCY-NSHDSACASA-N 1 2 251.355 1.568 20 30 CDEDLO C=CC[C@H](C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000345011044 527129011 /nfs/dbraw/zinc/12/90/11/527129011.db2.gz KGOOEVWLISUSRQ-IHRRRGAJSA-N 1 2 281.400 1.456 20 30 CDEDLO CC1(C)[C@H](O)C[C@@H]1NC(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000330240129 527881868 /nfs/dbraw/zinc/88/18/68/527881868.db2.gz BJZAFBWKPFWWGC-GRYCIOLGSA-N 1 2 292.383 1.424 20 30 CDEDLO CCC[N@H+](CC(=O)NC)Cc1cc(F)ccc1C#N ZINC000160431604 527891112 /nfs/dbraw/zinc/89/11/12/527891112.db2.gz VGHPOEBJXWRQCB-UHFFFAOYSA-N 1 2 263.316 1.655 20 30 CDEDLO CCC[N@@H+](CC(=O)NC)Cc1cc(F)ccc1C#N ZINC000160431604 527891114 /nfs/dbraw/zinc/89/11/14/527891114.db2.gz VGHPOEBJXWRQCB-UHFFFAOYSA-N 1 2 263.316 1.655 20 30 CDEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2C2CC2)CC1 ZINC000330349823 528820932 /nfs/dbraw/zinc/82/09/32/528820932.db2.gz KJUCDVPHMUPGFT-KGLIPLIRSA-N 1 2 293.411 1.543 20 30 CDEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]2C2CC2)CC1 ZINC000330349823 528820936 /nfs/dbraw/zinc/82/09/36/528820936.db2.gz KJUCDVPHMUPGFT-KGLIPLIRSA-N 1 2 293.411 1.543 20 30 CDEDLO N#CC1CC[NH+]([C@@H]2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000747033116 574490149 /nfs/dbraw/zinc/49/01/49/574490149.db2.gz CXEQDGWEEJOCRL-CQSZACIVSA-N 1 2 283.331 1.554 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C(C)=O)c1 ZINC000730096002 574848685 /nfs/dbraw/zinc/84/86/85/574848685.db2.gz YDYVEUHDEAHISM-HNNXBMFYSA-N 1 2 270.332 1.925 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C(C)=O)c1 ZINC000730096002 574848687 /nfs/dbraw/zinc/84/86/87/574848687.db2.gz YDYVEUHDEAHISM-HNNXBMFYSA-N 1 2 270.332 1.925 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000730094907 574848122 /nfs/dbraw/zinc/84/81/22/574848122.db2.gz XRQKTCMRFVNFRZ-ZDUSSCGKSA-N 1 2 286.331 1.494 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000730094907 574848124 /nfs/dbraw/zinc/84/81/24/574848124.db2.gz XRQKTCMRFVNFRZ-ZDUSSCGKSA-N 1 2 286.331 1.494 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000730282183 574909662 /nfs/dbraw/zinc/90/96/62/574909662.db2.gz AWSVPFLOZFDUPL-ZDUSSCGKSA-N 1 2 274.368 1.674 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000730282183 574909665 /nfs/dbraw/zinc/90/96/65/574909665.db2.gz AWSVPFLOZFDUPL-ZDUSSCGKSA-N 1 2 274.368 1.674 20 30 CDEDLO C=C1CC[NH+](CC2=C(C(=O)OCC)[C@@H](C)NC(=O)N2)CC1 ZINC000731032976 575031127 /nfs/dbraw/zinc/03/11/27/575031127.db2.gz REAZCZBUDSSLPX-LLVKDONJSA-N 1 2 293.367 1.157 20 30 CDEDLO CN(C)C(=S)NN=C1CCN(c2cccc[nH+]2)CC1 ZINC000731560751 575055225 /nfs/dbraw/zinc/05/52/25/575055225.db2.gz ZAIAUCVEDHEQGQ-UHFFFAOYSA-N 1 2 277.397 1.474 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000732208624 575083505 /nfs/dbraw/zinc/08/35/05/575083505.db2.gz BAKAGELTEPMFOY-CKEIUWERSA-N 1 2 286.375 1.586 20 30 CDEDLO C#CCNC(=O)C[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000732208624 575083506 /nfs/dbraw/zinc/08/35/06/575083506.db2.gz BAKAGELTEPMFOY-CKEIUWERSA-N 1 2 286.375 1.586 20 30 CDEDLO Cc1ccc(CCC=Nn2cnc3c(cnn3C)c2=O)c[nH+]1 ZINC000774372920 575201444 /nfs/dbraw/zinc/20/14/44/575201444.db2.gz TYDFXZLQESVXGT-UHFFFAOYSA-N 1 2 296.334 1.300 20 30 CDEDLO C=CC[N@H+](Cc1nnnn1CC1CCOCC1)C(C)C ZINC000769707659 575375603 /nfs/dbraw/zinc/37/56/03/575375603.db2.gz CAJZNSDBFYQSPA-UHFFFAOYSA-N 1 2 279.388 1.496 20 30 CDEDLO C=CC[N@@H+](Cc1nnnn1CC1CCOCC1)C(C)C ZINC000769707659 575375604 /nfs/dbraw/zinc/37/56/04/575375604.db2.gz CAJZNSDBFYQSPA-UHFFFAOYSA-N 1 2 279.388 1.496 20 30 CDEDLO C(=[NH+]Nc1cccnn1)c1cnc(N2CCCC2)nc1 ZINC000735974647 575544903 /nfs/dbraw/zinc/54/49/03/575544903.db2.gz JAIAHBWBOHOMNY-UHFFFAOYSA-N 1 2 269.312 1.313 20 30 CDEDLO Cc1[nH+]cc(C=NOCC(N)=O)n1-c1ccccc1 ZINC000771574234 575592226 /nfs/dbraw/zinc/59/22/26/575592226.db2.gz CLBYWJLHWUHMFT-UHFFFAOYSA-N 1 2 258.281 1.017 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)CCC)CC1 ZINC000772109353 575661788 /nfs/dbraw/zinc/66/17/88/575661788.db2.gz BVEJOGSMKGGOKM-UHFFFAOYSA-N 1 2 251.326 1.244 20 30 CDEDLO C#C[C@@H](Nc1nc(N(C)C)nc(C(C)C)[nH+]1)[C@H]1CCCO1 ZINC000772260815 575678153 /nfs/dbraw/zinc/67/81/53/575678153.db2.gz ZEVSDPNCFKIGMT-VXGBXAGGSA-N 1 2 289.383 1.654 20 30 CDEDLO C#C[C@@H](Nc1nc(C(C)C)[nH+]c(N(C)C)n1)[C@H]1CCCO1 ZINC000772260815 575678155 /nfs/dbraw/zinc/67/81/55/575678155.db2.gz ZEVSDPNCFKIGMT-VXGBXAGGSA-N 1 2 289.383 1.654 20 30 CDEDLO Nc1[nH+]cccc1C=NNC(=S)NCc1ccccc1 ZINC000764659984 575931754 /nfs/dbraw/zinc/93/17/54/575931754.db2.gz RIODHKDCCQTVJA-UHFFFAOYSA-N 1 2 285.376 1.662 20 30 CDEDLO Nc1[nH+]cccc1C=NNC(=S)NCC(F)(F)F ZINC000764683846 575933636 /nfs/dbraw/zinc/93/36/36/575933636.db2.gz YGXGWDSNHIUSBN-UHFFFAOYSA-N 1 2 277.275 1.024 20 30 CDEDLO C[C@@H]1COCCC[N@@H+]1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766634706 576117534 /nfs/dbraw/zinc/11/75/34/576117534.db2.gz YAUFBFYITMCJLY-GFCCVEGCSA-N 1 2 287.363 1.277 20 30 CDEDLO C[C@@H]1COCCC[N@H+]1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766634706 576117535 /nfs/dbraw/zinc/11/75/35/576117535.db2.gz YAUFBFYITMCJLY-GFCCVEGCSA-N 1 2 287.363 1.277 20 30 CDEDLO C#Cc1ccc(C(=O)N(C)CCCn2cc[nH+]c2)cn1 ZINC000768322746 576271632 /nfs/dbraw/zinc/27/16/32/576271632.db2.gz CNHSBWQZHHKYMM-UHFFFAOYSA-N 1 2 268.320 1.422 20 30 CDEDLO N#CCOc1cccc(NC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000768872130 576314984 /nfs/dbraw/zinc/31/49/84/576314984.db2.gz DGOVURNYBFBIII-UHFFFAOYSA-N 1 2 271.280 1.634 20 30 CDEDLO CCS(=O)(=O)CC[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000759368300 576384054 /nfs/dbraw/zinc/38/40/54/576384054.db2.gz XERTUQBKMLDWPW-UHFFFAOYSA-N 1 2 296.392 1.455 20 30 CDEDLO CCS(=O)(=O)CC[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000759368300 576384057 /nfs/dbraw/zinc/38/40/57/576384057.db2.gz XERTUQBKMLDWPW-UHFFFAOYSA-N 1 2 296.392 1.455 20 30 CDEDLO C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC[S@]1=O ZINC000759867911 576438672 /nfs/dbraw/zinc/43/86/72/576438672.db2.gz KGWPIPPPUXSNML-ASNKJTAVSA-N 1 2 292.404 1.435 20 30 CDEDLO C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC[S@]1=O ZINC000759867911 576438673 /nfs/dbraw/zinc/43/86/73/576438673.db2.gz KGWPIPPPUXSNML-ASNKJTAVSA-N 1 2 292.404 1.435 20 30 CDEDLO c1cn(-c2ccc(N=NCc3ccccn3)nn2)c[nH+]1 ZINC000761832173 576596179 /nfs/dbraw/zinc/59/61/79/576596179.db2.gz WYIPDQZJQIARQN-UHFFFAOYSA-N 1 2 265.280 1.503 20 30 CDEDLO COc1cccc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)n1 ZINC000761834290 576596214 /nfs/dbraw/zinc/59/62/14/576596214.db2.gz IGQKUGDMZYSOKY-UHFFFAOYSA-N 1 2 295.306 1.512 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N(CC(C)C)C1CC1 ZINC000744410146 576679159 /nfs/dbraw/zinc/67/91/59/576679159.db2.gz PEZQMJZRGLCUFR-UHFFFAOYSA-N 1 2 260.381 1.592 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N(CC(C)C)C1CC1 ZINC000744410146 576679160 /nfs/dbraw/zinc/67/91/60/576679160.db2.gz PEZQMJZRGLCUFR-UHFFFAOYSA-N 1 2 260.381 1.592 20 30 CDEDLO CCC(N=NC1=[NH+][C@@H]2CCCC[C@H]2N1)[C@@H]1CCOC1 ZINC000753939863 576867738 /nfs/dbraw/zinc/86/77/38/576867738.db2.gz RSLYVZRZKLQZQP-RAIGVLPGSA-N 1 2 264.373 1.649 20 30 CDEDLO Cc1[nH]c[nH+]c1C=Nn1cnc2ccccc2c1=O ZINC000755589897 576950770 /nfs/dbraw/zinc/95/07/70/576950770.db2.gz GFOZPFIAGRKBEX-UHFFFAOYSA-N 1 2 253.265 1.310 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](SC)C(C)(C)C ZINC000751974922 577079730 /nfs/dbraw/zinc/07/97/30/577079730.db2.gz BKGROEVVXWAIDN-STQMWFEESA-N 1 2 282.453 1.978 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](SC)C(C)(C)C ZINC000751974922 577079731 /nfs/dbraw/zinc/07/97/31/577079731.db2.gz BKGROEVVXWAIDN-STQMWFEESA-N 1 2 282.453 1.978 20 30 CDEDLO C=CCNC(=S)N[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000758363071 577101984 /nfs/dbraw/zinc/10/19/84/577101984.db2.gz VJOLHJJFCFIETG-UHFFFAOYSA-N 1 2 289.408 1.666 20 30 CDEDLO COCC(=[NH+]n1cc(Br)cn1)C1CC1 ZINC000752742884 577122676 /nfs/dbraw/zinc/12/26/76/577122676.db2.gz MWXPBKOBLDWRNR-UHFFFAOYSA-N 1 2 258.119 1.906 20 30 CDEDLO C#C[C@H](CC)NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000753273325 577158833 /nfs/dbraw/zinc/15/88/33/577158833.db2.gz PZYICKTVYSFGBM-CYBMUJFWSA-N 1 2 291.420 1.987 20 30 CDEDLO C#C[C@H]1CCCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000890650196 617249073 /nfs/dbraw/zinc/24/90/73/617249073.db2.gz CGVPATSTMAVHRY-STQMWFEESA-N 1 2 257.337 1.460 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1nccs1 ZINC000960498248 617290191 /nfs/dbraw/zinc/29/01/91/617290191.db2.gz CNGSKPYMPQMYPF-RYUDHWBXSA-N 1 2 292.408 1.726 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nccs1 ZINC000960498248 617290192 /nfs/dbraw/zinc/29/01/92/617290192.db2.gz CNGSKPYMPQMYPF-RYUDHWBXSA-N 1 2 292.408 1.726 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ocnc2C2CC2)C1 ZINC000951742431 612993250 /nfs/dbraw/zinc/99/32/50/612993250.db2.gz SUOQXJXGJRFBGR-UHFFFAOYSA-N 1 2 287.363 1.722 20 30 CDEDLO C#CCOc1ncccc1C(=O)N(CC)C1C[NH+](CC)C1 ZINC000957286224 613008333 /nfs/dbraw/zinc/00/83/33/613008333.db2.gz TURJCPZGYXLRGV-UHFFFAOYSA-N 1 2 287.363 1.260 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[NH+](CC=C)CC2)cn1 ZINC000957378980 613170257 /nfs/dbraw/zinc/17/02/57/613170257.db2.gz SGJQCBDISVFZRB-UHFFFAOYSA-N 1 2 255.321 1.007 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C3(C)CCC3)CC2)C1 ZINC000949437139 613210392 /nfs/dbraw/zinc/21/03/92/613210392.db2.gz XTPVJPXDESGHIC-UHFFFAOYSA-N 1 2 290.407 1.503 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C3(C)CCC3)CC2)C1 ZINC000949437139 613210394 /nfs/dbraw/zinc/21/03/94/613210394.db2.gz XTPVJPXDESGHIC-UHFFFAOYSA-N 1 2 290.407 1.503 20 30 CDEDLO C#Cc1cncc(C(=O)N(CC)C2C[NH+](CC(=C)C)C2)c1 ZINC000951719229 613211739 /nfs/dbraw/zinc/21/17/39/613211739.db2.gz KZPKEWOQHUWIAP-UHFFFAOYSA-N 1 2 283.375 1.785 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cn(C)nc2C(F)F)CC1 ZINC000948795709 613321426 /nfs/dbraw/zinc/32/14/26/613321426.db2.gz WNZDSSNGLVUQKV-UHFFFAOYSA-N 1 2 298.337 1.692 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cn(C(C)C)cn2)CC1 ZINC000949476878 613321531 /nfs/dbraw/zinc/32/15/31/613321531.db2.gz BQODSGFAKFSEQO-UHFFFAOYSA-N 1 2 276.384 1.798 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2occ3c2CCOC3)CC1 ZINC000949484765 613322175 /nfs/dbraw/zinc/32/21/75/613322175.db2.gz UGTFPZCZNDNVDB-UHFFFAOYSA-N 1 2 290.363 1.686 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnn(CC)n2)C1 ZINC000969621371 613372055 /nfs/dbraw/zinc/37/20/55/613372055.db2.gz RGDXHYSDVBBTQJ-SNVBAGLBSA-N 1 2 297.790 1.101 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccn(C)n2)C1 ZINC000970880844 613372311 /nfs/dbraw/zinc/37/23/11/613372311.db2.gz QZZXHOXVFLHASV-JTQLQIEISA-N 1 2 282.775 1.223 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCc2ccon2)CC1 ZINC000981615704 613373440 /nfs/dbraw/zinc/37/34/40/613373440.db2.gz XSOYUIVEISSWFO-UHFFFAOYSA-N 1 2 297.786 1.894 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCc2ccon2)CC1 ZINC000981615704 613373441 /nfs/dbraw/zinc/37/34/41/613373441.db2.gz XSOYUIVEISSWFO-UHFFFAOYSA-N 1 2 297.786 1.894 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC000965766348 613375576 /nfs/dbraw/zinc/37/55/76/613375576.db2.gz RPJPAECYZVBZMS-MFKMUULPSA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC000965766348 613375577 /nfs/dbraw/zinc/37/55/77/613375577.db2.gz RPJPAECYZVBZMS-MFKMUULPSA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnn(C)c2)C1 ZINC000965002227 613375848 /nfs/dbraw/zinc/37/58/48/613375848.db2.gz STEGPYYGHPVZAC-ZWNOBZJWSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnn(C)c2)C1 ZINC000965002227 613375849 /nfs/dbraw/zinc/37/58/49/613375849.db2.gz STEGPYYGHPVZAC-ZWNOBZJWSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cnc(C)[nH]2)C(C)(C)C1 ZINC000972967302 613379862 /nfs/dbraw/zinc/37/98/62/613379862.db2.gz DZXWNRRYJLGNNY-GFCCVEGCSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cnc(C)[nH]2)C(C)(C)C1 ZINC000972967302 613379863 /nfs/dbraw/zinc/37/98/63/613379863.db2.gz DZXWNRRYJLGNNY-GFCCVEGCSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2ncc[nH]2)C(C)(C)C1 ZINC000977386961 613380811 /nfs/dbraw/zinc/38/08/11/613380811.db2.gz GZUGYAAXKNCIEH-NSHDSACASA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2ncc[nH]2)C(C)(C)C1 ZINC000977386961 613380812 /nfs/dbraw/zinc/38/08/12/613380812.db2.gz GZUGYAAXKNCIEH-NSHDSACASA-N 1 2 296.802 1.531 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)/C(C)=C/C)C2)C1 ZINC000972328349 613570143 /nfs/dbraw/zinc/57/01/43/613570143.db2.gz PSLSOMVZEFTASL-RNDAEWJDSA-N 1 2 276.380 1.279 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)/C(C)=C/C)C2)C1 ZINC000972328349 613570144 /nfs/dbraw/zinc/57/01/44/613570144.db2.gz PSLSOMVZEFTASL-RNDAEWJDSA-N 1 2 276.380 1.279 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC3(C)C)C2)C1 ZINC000972347546 613570220 /nfs/dbraw/zinc/57/02/20/613570220.db2.gz WQIGEWRGOULKJO-PBHICJAKSA-N 1 2 290.407 1.359 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC3(C)C)C2)C1 ZINC000972347546 613570222 /nfs/dbraw/zinc/57/02/22/613570222.db2.gz WQIGEWRGOULKJO-PBHICJAKSA-N 1 2 290.407 1.359 20 30 CDEDLO O=C(NCC#C[C@@H]1CCCCO1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000891115508 617365560 /nfs/dbraw/zinc/36/55/60/617365560.db2.gz FQPIMWKPOHGSBQ-HIFRSBDPSA-N 1 2 287.363 1.134 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc(F)cn2)CC1 ZINC000948903329 613709401 /nfs/dbraw/zinc/70/94/01/613709401.db2.gz WOBJDFJFBGTKSF-UHFFFAOYSA-N 1 2 263.316 1.093 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2CCOC[C@H]2OCC)CC1 ZINC000949354395 613709530 /nfs/dbraw/zinc/70/95/30/613709530.db2.gz YODAWMGVZYAGJJ-HUUCEWRRSA-N 1 2 296.411 1.148 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC000949258363 613713865 /nfs/dbraw/zinc/71/38/65/613713865.db2.gz ZDBUZVXHEVCXJD-HIFRSBDPSA-N 1 2 264.369 1.276 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C(C)C)n[nH]2)CC1 ZINC000950638519 613714710 /nfs/dbraw/zinc/71/47/10/613714710.db2.gz UGUPBAWPRAOESN-UHFFFAOYSA-N 1 2 262.357 1.477 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(OC(C)C)cn2)CC1 ZINC000957954359 613716121 /nfs/dbraw/zinc/71/61/21/613716121.db2.gz GENAKBPHTYCOCO-UHFFFAOYSA-N 1 2 289.379 1.813 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(COC)c(F)c2)CC1 ZINC000957457490 613716422 /nfs/dbraw/zinc/71/64/22/613716422.db2.gz NJLNHZAUGIUKIG-UHFFFAOYSA-N 1 2 292.354 1.916 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc3c2OCC3)CC1 ZINC000950659207 613716942 /nfs/dbraw/zinc/71/69/42/613716942.db2.gz VJICRCWTFWOVQV-UHFFFAOYSA-N 1 2 272.348 1.565 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)C1 ZINC000972538384 613723310 /nfs/dbraw/zinc/72/33/10/613723310.db2.gz UEKBHNIMYLUXCV-INMHGKMJSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)C1 ZINC000972538384 613723312 /nfs/dbraw/zinc/72/33/12/613723312.db2.gz UEKBHNIMYLUXCV-INMHGKMJSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CC(C)(C)C3)C2)C1 ZINC000972366958 613725079 /nfs/dbraw/zinc/72/50/79/613725079.db2.gz DWTSKGYPSOPZHD-QGZVFWFLSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CC(C)(C)C3)C2)C1 ZINC000972366958 613725081 /nfs/dbraw/zinc/72/50/81/613725081.db2.gz DWTSKGYPSOPZHD-QGZVFWFLSA-N 1 2 292.423 1.912 20 30 CDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H]1CO ZINC000934021197 617860379 /nfs/dbraw/zinc/86/03/79/617860379.db2.gz DMTOMVKJJOUDEA-BXKDBHETSA-N 1 2 293.754 1.605 20 30 CDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H]1CO ZINC000934021197 617860381 /nfs/dbraw/zinc/86/03/81/617860381.db2.gz DMTOMVKJJOUDEA-BXKDBHETSA-N 1 2 293.754 1.605 20 30 CDEDLO C#CCn1ccc(CN(CC)c2nccn3c[nH+]cc23)n1 ZINC000893564806 618130303 /nfs/dbraw/zinc/13/03/03/618130303.db2.gz UCELXBQTKYCDQT-UHFFFAOYSA-N 1 2 280.335 1.586 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)C(=O)OC ZINC000894194893 618681900 /nfs/dbraw/zinc/68/19/00/618681900.db2.gz NCBSZZIFBUNFEO-TUVASFSCSA-N 1 2 297.395 1.525 20 30 CDEDLO Cc1nn(C)c(N)c1C=[NH+]Nc1ccc([N+](=O)[O-])cc1 ZINC000814682037 618720383 /nfs/dbraw/zinc/72/03/83/618720383.db2.gz GDBVFFMDJJCZHS-UHFFFAOYSA-N 1 2 274.284 1.665 20 30 CDEDLO Cc1nc(N2CC[NH+](Cc3cn[nH]c3)CC2)ccc1C#N ZINC000895959707 619922776 /nfs/dbraw/zinc/92/27/76/619922776.db2.gz CXUNRRHWUFAMHD-UHFFFAOYSA-N 1 2 282.351 1.307 20 30 CDEDLO C#Cc1cnc(N2CCc3c([nH+]cn3CC)C2)nc1 ZINC000896654841 620184551 /nfs/dbraw/zinc/18/45/51/620184551.db2.gz OMSMQIKWNAIFFR-UHFFFAOYSA-N 1 2 253.309 1.237 20 30 CDEDLO CC(C)[C@H](O[NH+]=C(N)c1ccc(F)cc1)C(=O)N(C)C ZINC000842019148 620857452 /nfs/dbraw/zinc/85/74/52/620857452.db2.gz IMIQILVSLHBEAE-LBPRGKRZSA-N 1 2 281.331 1.575 20 30 CDEDLO CC(C)[C@H](C#N)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000900636875 623323018 /nfs/dbraw/zinc/32/30/18/623323018.db2.gz AXBUQQDZOHVTHD-STQMWFEESA-N 1 2 275.356 1.454 20 30 CDEDLO CC(C)[C@H](C#N)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000900636875 623323023 /nfs/dbraw/zinc/32/30/23/623323023.db2.gz AXBUQQDZOHVTHD-STQMWFEESA-N 1 2 275.356 1.454 20 30 CDEDLO C=C(Cl)CNC(=O)C[N@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000900760308 623421040 /nfs/dbraw/zinc/42/10/40/623421040.db2.gz UWNFTPYNRQRJRY-LLVKDONJSA-N 1 2 288.775 1.130 20 30 CDEDLO C=C(Cl)CNC(=O)C[N@@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000900760308 623421043 /nfs/dbraw/zinc/42/10/43/623421043.db2.gz UWNFTPYNRQRJRY-LLVKDONJSA-N 1 2 288.775 1.130 20 30 CDEDLO C#CCCOC(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000907342826 627604273 /nfs/dbraw/zinc/60/42/73/627604273.db2.gz AIODCGHVYWGCNB-UHFFFAOYSA-N 1 2 287.363 1.402 20 30 CDEDLO N#CC[C@@H](O)C[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000929843510 631546312 /nfs/dbraw/zinc/54/63/12/631546312.db2.gz ITBVKHXXWIDGKQ-CQSZACIVSA-N 1 2 293.798 1.732 20 30 CDEDLO CCOC(=O)C(C)(C)O[NH+]=Cc1c(Cl)nc(N)n1C ZINC000835006765 631556596 /nfs/dbraw/zinc/55/65/96/631556596.db2.gz CQKOHRCWRIWARX-UHFFFAOYSA-N 1 2 288.735 1.348 20 30 CDEDLO C=CCCS(=O)(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000920624565 632813363 /nfs/dbraw/zinc/81/33/63/632813363.db2.gz GBTQSTHIEKRVBP-UHFFFAOYSA-N 1 2 295.408 1.864 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nccs3)C[C@H]21 ZINC001114198286 1162451880 /nfs/dbraw/zinc/45/18/80/1162451880.db2.gz AAPVYCGFLFTHQD-JYAVWHMHSA-N 1 2 289.404 1.493 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nccs3)C[C@H]21 ZINC001114198286 1162451882 /nfs/dbraw/zinc/45/18/82/1162451882.db2.gz AAPVYCGFLFTHQD-JYAVWHMHSA-N 1 2 289.404 1.493 20 30 CDEDLO C=CC[C@H]([NH2+][C@H]1CC[C@@H](C(=O)OC)C1)C(=O)OC ZINC001170516002 1162725102 /nfs/dbraw/zinc/72/51/02/1162725102.db2.gz DCOUHSQCSYQNGR-VWYCJHECSA-N 1 2 255.314 1.035 20 30 CDEDLO N#C[C@H](Nc1ccc2c(c1)[nH+]cn2-c1ccccc1)C(N)=O ZINC001170537752 1162787688 /nfs/dbraw/zinc/78/76/88/1162787688.db2.gz XAJDEMHUYDXTGU-AWEZNQCLSA-N 1 2 291.314 1.815 20 30 CDEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)F)CC[C@H]1C ZINC001131742341 1163025357 /nfs/dbraw/zinc/02/53/57/1163025357.db2.gz CJAFYAPJHOWLAJ-NEPJUHHUSA-N 1 2 299.390 1.006 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)F)CC[C@H]1C ZINC001131742341 1163025361 /nfs/dbraw/zinc/02/53/61/1163025361.db2.gz CJAFYAPJHOWLAJ-NEPJUHHUSA-N 1 2 299.390 1.006 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132058290 1163157942 /nfs/dbraw/zinc/15/79/42/1163157942.db2.gz XOFVOSRQLSYZCV-JSGCOSHPSA-N 1 2 293.411 1.209 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001132058290 1163157947 /nfs/dbraw/zinc/15/79/47/1163157947.db2.gz XOFVOSRQLSYZCV-JSGCOSHPSA-N 1 2 293.411 1.209 20 30 CDEDLO Cc1nc(N[C@@H](C)[C@@H](C)NC(=O)C#CC(C)C)cc[nH+]1 ZINC001113028857 1162076521 /nfs/dbraw/zinc/07/65/21/1162076521.db2.gz KXATWSCTRTUGFC-NWDGAFQWSA-N 1 2 274.368 1.750 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000050507410 1166663860 /nfs/dbraw/zinc/66/38/60/1166663860.db2.gz MOZFTMAZSOCJTD-UHFFFAOYSA-N 1 2 256.349 1.372 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)COC(C)C)C1 ZINC001665258905 1172971193 /nfs/dbraw/zinc/97/11/93/1172971193.db2.gz ZHLCBLVECOUEIG-UHFFFAOYSA-N 1 2 260.765 1.212 20 30 CDEDLO N#CCC[N@@H+](Cc1cc(-c2nn[nH]n2)ccn1)CC1CC1 ZINC001592677002 1173968529 /nfs/dbraw/zinc/96/85/29/1173968529.db2.gz PIPSUGRWFIYYPG-UHFFFAOYSA-N 1 2 283.339 1.387 20 30 CDEDLO N#CCC[N@H+](Cc1cc(-c2nn[nH]n2)ccn1)CC1CC1 ZINC001592677002 1173968533 /nfs/dbraw/zinc/96/85/33/1173968533.db2.gz PIPSUGRWFIYYPG-UHFFFAOYSA-N 1 2 283.339 1.387 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)CCCC2CCOCC2)C1 ZINC001753378860 1184522038 /nfs/dbraw/zinc/52/20/38/1184522038.db2.gz YUQFIKYYROJHNT-UHFFFAOYSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CCOCC[NH+]1CC(NC(=O)[C@H]2CC[C@@H](F)C2)C1 ZINC001753384947 1184524218 /nfs/dbraw/zinc/52/42/18/1184524218.db2.gz DNBQNKKKSCOCMP-NWDGAFQWSA-N 1 2 270.348 1.128 20 30 CDEDLO C=CC(C)(C)C(=O)NCCC[N@@H+](CC)Cc1cnn(C)n1 ZINC001752204460 1184837544 /nfs/dbraw/zinc/83/75/44/1184837544.db2.gz KMDUOTAFWGGZSU-UHFFFAOYSA-N 1 2 293.415 1.356 20 30 CDEDLO C=CC(C)(C)C(=O)NCCC[N@H+](CC)Cc1cnn(C)n1 ZINC001752204460 1184837550 /nfs/dbraw/zinc/83/75/50/1184837550.db2.gz KMDUOTAFWGGZSU-UHFFFAOYSA-N 1 2 293.415 1.356 20 30 CDEDLO CC(C)(C(=O)NCC[NH+]1CCN(CC#N)CC1)C1CCC1 ZINC001752371394 1184853836 /nfs/dbraw/zinc/85/38/36/1184853836.db2.gz VIUPYFVPPYJXER-UHFFFAOYSA-N 1 2 292.427 1.070 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H](CC)OC ZINC001753078736 1185045788 /nfs/dbraw/zinc/04/57/88/1185045788.db2.gz MYUKDWDYUCJZCM-LLVKDONJSA-N 1 2 262.781 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H](CC)OC ZINC001753078736 1185045792 /nfs/dbraw/zinc/04/57/92/1185045792.db2.gz MYUKDWDYUCJZCM-LLVKDONJSA-N 1 2 262.781 1.602 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1nccc(C)n1 ZINC001753097322 1185057396 /nfs/dbraw/zinc/05/73/96/1185057396.db2.gz FDQGTPZZUYCTCI-AWEZNQCLSA-N 1 2 288.395 1.832 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1nccc(C)n1 ZINC001753097322 1185057400 /nfs/dbraw/zinc/05/74/00/1185057400.db2.gz FDQGTPZZUYCTCI-AWEZNQCLSA-N 1 2 288.395 1.832 20 30 CDEDLO N#CCN(CCNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001753157741 1185092518 /nfs/dbraw/zinc/09/25/18/1185092518.db2.gz WDQKSWWWCMTJQP-UHFFFAOYSA-N 1 2 283.335 1.052 20 30 CDEDLO C#CCCOc1ccc(C(=O)NC2C[NH+](CCC#C)C2)cc1 ZINC001753377827 1185177556 /nfs/dbraw/zinc/17/75/56/1185177556.db2.gz NDWNEJKBDIRWPF-UHFFFAOYSA-N 1 2 296.370 1.526 20 30 CDEDLO Cc1ncsc1CC[NH+]1CC(NC(=O)C#CC2CC2)C1 ZINC001753377522 1185177785 /nfs/dbraw/zinc/17/77/85/1185177785.db2.gz CEHJIAISWHYNTO-UHFFFAOYSA-N 1 2 289.404 1.208 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)CC(C)C ZINC001753426319 1185200471 /nfs/dbraw/zinc/20/04/71/1185200471.db2.gz VLQCZOGWIITVEQ-KBPBESRZSA-N 1 2 262.397 1.977 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)CC(C)C ZINC001753426319 1185200474 /nfs/dbraw/zinc/20/04/74/1185200474.db2.gz VLQCZOGWIITVEQ-KBPBESRZSA-N 1 2 262.397 1.977 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)c2cccs2)C1 ZINC001753653642 1185288562 /nfs/dbraw/zinc/28/85/62/1185288562.db2.gz FNJWKEKKJVQUAE-QWHCGFSZSA-N 1 2 294.420 1.855 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H](C)c2cccs2)C1 ZINC001753653642 1185288567 /nfs/dbraw/zinc/28/85/67/1185288567.db2.gz FNJWKEKKJVQUAE-QWHCGFSZSA-N 1 2 294.420 1.855 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H](C)CCC)C1 ZINC001753659301 1185290863 /nfs/dbraw/zinc/29/08/63/1185290863.db2.gz SBIPAKYLCKGKCR-KBPBESRZSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C[C@@H](C)CCC)C1 ZINC001753659301 1185290865 /nfs/dbraw/zinc/29/08/65/1185290865.db2.gz SBIPAKYLCKGKCR-KBPBESRZSA-N 1 2 268.401 1.816 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC001754505709 1185647739 /nfs/dbraw/zinc/64/77/39/1185647739.db2.gz RRQBZHGTRPNIOT-WBVHZDCISA-N 1 2 284.403 1.997 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC001754505709 1185647743 /nfs/dbraw/zinc/64/77/43/1185647743.db2.gz RRQBZHGTRPNIOT-WBVHZDCISA-N 1 2 284.403 1.997 20 30 CDEDLO C=CCCOCC(=O)NC[C@H]1CC[N@H+]1Cc1ocnc1C ZINC001754504769 1185648261 /nfs/dbraw/zinc/64/82/61/1185648261.db2.gz LZIOPFXTLPJDSJ-CYBMUJFWSA-N 1 2 293.367 1.266 20 30 CDEDLO C=CCCOCC(=O)NC[C@H]1CC[N@@H+]1Cc1ocnc1C ZINC001754504769 1185648264 /nfs/dbraw/zinc/64/82/64/1185648264.db2.gz LZIOPFXTLPJDSJ-CYBMUJFWSA-N 1 2 293.367 1.266 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)Cn1ccc2ccccc21 ZINC001754505496 1185648641 /nfs/dbraw/zinc/64/86/41/1185648641.db2.gz PHSUJCOIMWBTON-HNNXBMFYSA-N 1 2 281.359 1.465 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)Cn1ccc2ccccc21 ZINC001754505496 1185648643 /nfs/dbraw/zinc/64/86/43/1185648643.db2.gz PHSUJCOIMWBTON-HNNXBMFYSA-N 1 2 281.359 1.465 20 30 CDEDLO CC(C)C#CC(=O)NCC1(O)C[NH+](CC2=CCCCC2)C1 ZINC001754767514 1185726916 /nfs/dbraw/zinc/72/69/16/1185726916.db2.gz NHLQWFCSKBZXJO-UHFFFAOYSA-N 1 2 290.407 1.309 20 30 CDEDLO C#CCCCCC(=O)NC[C@H]1COCC[N@H+]1C[C@@H](C)OC ZINC001754964935 1185771222 /nfs/dbraw/zinc/77/12/22/1185771222.db2.gz HDBKDPJMTPAUHI-CABCVRRESA-N 1 2 296.411 1.032 20 30 CDEDLO C#CCCCCC(=O)NC[C@H]1COCC[N@@H+]1C[C@@H](C)OC ZINC001754964935 1185771228 /nfs/dbraw/zinc/77/12/28/1185771228.db2.gz HDBKDPJMTPAUHI-CABCVRRESA-N 1 2 296.411 1.032 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)C[C@H]3CCCO3)cc2C1 ZINC001755100727 1185813626 /nfs/dbraw/zinc/81/36/26/1185813626.db2.gz DYACBXSWRFHVEH-QGZVFWFLSA-N 1 2 298.386 1.821 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)C[C@H]3CCCO3)cc2C1 ZINC001755100727 1185813635 /nfs/dbraw/zinc/81/36/35/1185813635.db2.gz DYACBXSWRFHVEH-QGZVFWFLSA-N 1 2 298.386 1.821 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H](C)OCC)cc2C1 ZINC001755101162 1185814729 /nfs/dbraw/zinc/81/47/29/1185814729.db2.gz UEXDAMHNCHMOEU-ZDUSSCGKSA-N 1 2 286.375 1.677 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H](C)OCC)cc2C1 ZINC001755101162 1185814734 /nfs/dbraw/zinc/81/47/34/1185814734.db2.gz UEXDAMHNCHMOEU-ZDUSSCGKSA-N 1 2 286.375 1.677 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)CCOCC)CC1 ZINC001755882797 1186099986 /nfs/dbraw/zinc/09/99/86/1186099986.db2.gz RRAKSONOHUWHGX-UHFFFAOYSA-N 1 2 286.803 1.914 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)CCOCC)CC1 ZINC001755882797 1186099990 /nfs/dbraw/zinc/09/99/90/1186099990.db2.gz RRAKSONOHUWHGX-UHFFFAOYSA-N 1 2 286.803 1.914 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCCC2OCCO2)ccc1F ZINC000120195781 1164573985 /nfs/dbraw/zinc/57/39/85/1164573985.db2.gz ABUMNQHHLKEEEV-UHFFFAOYSA-N 1 2 268.288 1.534 20 30 CDEDLO C=C[C@@H](C)ONC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000845628214 730437556 /nfs/dbraw/zinc/43/75/56/730437556.db2.gz WIDUAVLCKXCAAO-NEPJUHHUSA-N 1 2 276.340 1.466 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccc(F)cc2)C1 ZINC001031335560 730452160 /nfs/dbraw/zinc/45/21/60/730452160.db2.gz SCVJPRACLYLXQG-UHFFFAOYSA-N 1 2 262.328 1.745 20 30 CDEDLO CCn1ncnc1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000877025623 730464548 /nfs/dbraw/zinc/46/45/48/730464548.db2.gz PYWWCUKRWWUSFK-UHFFFAOYSA-N 1 2 271.324 1.490 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@H]1OC ZINC001018336214 730474312 /nfs/dbraw/zinc/47/43/12/730474312.db2.gz YLYXINGLCQVLEV-XUWVNRHRSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@H]1OC ZINC001018336214 730474315 /nfs/dbraw/zinc/47/43/15/730474315.db2.gz YLYXINGLCQVLEV-XUWVNRHRSA-N 1 2 290.407 1.500 20 30 CDEDLO CC1(C#N)CC[NH+](CCn2cnc(Br)n2)CC1 ZINC000851912956 730516578 /nfs/dbraw/zinc/51/65/78/730516578.db2.gz QULWWVIAZKFSMR-UHFFFAOYSA-N 1 2 298.188 1.666 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)[C@@H]1CCCC[C@@H]1C ZINC000884309639 730528512 /nfs/dbraw/zinc/52/85/12/730528512.db2.gz AJDYGOJXDZQSOS-MELADBBJSA-N 1 2 296.411 1.860 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCN2c2ccccc2)C1 ZINC001042879176 730538709 /nfs/dbraw/zinc/53/87/09/730538709.db2.gz VPYLXWLELAIIND-KRWDZBQOSA-N 1 2 299.418 1.984 20 30 CDEDLO COC(=O)c1ccccc1N[NH+]=Cc1c(C)nn(C)c1N ZINC000814894362 730543781 /nfs/dbraw/zinc/54/37/81/730543781.db2.gz LKZDVGIBSVKFLD-UHFFFAOYSA-N 1 2 287.323 1.543 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc(C)cc2)C1 ZINC001030630086 730588998 /nfs/dbraw/zinc/58/89/98/730588998.db2.gz CANFGJLOKIZZAX-UHFFFAOYSA-N 1 2 256.349 1.361 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)sn2)C1 ZINC001035349220 730595874 /nfs/dbraw/zinc/59/58/74/730595874.db2.gz GAOKJHDHEJEAIG-LBPRGKRZSA-N 1 2 295.408 1.458 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)sn2)C1 ZINC001035349220 730595879 /nfs/dbraw/zinc/59/58/79/730595879.db2.gz GAOKJHDHEJEAIG-LBPRGKRZSA-N 1 2 295.408 1.458 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c1F ZINC000830916928 730605474 /nfs/dbraw/zinc/60/54/74/730605474.db2.gz VHBHHNYAJSWQJE-OLZOCXBDSA-N 1 2 289.310 1.628 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c1F ZINC000830916928 730605479 /nfs/dbraw/zinc/60/54/79/730605479.db2.gz VHBHHNYAJSWQJE-OLZOCXBDSA-N 1 2 289.310 1.628 20 30 CDEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(F)F)C[C@@H]21 ZINC001074134262 730614079 /nfs/dbraw/zinc/61/40/79/730614079.db2.gz YNEFYBDKAVEKOT-NWDGAFQWSA-N 1 2 288.338 1.519 20 30 CDEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(F)F)C[C@@H]21 ZINC001074134262 730614080 /nfs/dbraw/zinc/61/40/80/730614080.db2.gz YNEFYBDKAVEKOT-NWDGAFQWSA-N 1 2 288.338 1.519 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCO[C@H]2CC)C1 ZINC001042885968 730622594 /nfs/dbraw/zinc/62/25/94/730622594.db2.gz XMBSHPQEGTYEFU-KGLIPLIRSA-N 1 2 266.385 1.520 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(F)cc1 ZINC001032317335 730627261 /nfs/dbraw/zinc/62/72/61/730627261.db2.gz ROBHIGHQNHECDH-CQDKDKBSSA-N 1 2 287.338 1.770 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(F)cc1 ZINC001032317335 730627264 /nfs/dbraw/zinc/62/72/64/730627264.db2.gz ROBHIGHQNHECDH-CQDKDKBSSA-N 1 2 287.338 1.770 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(Cl)[nH]2)C1 ZINC001035500104 730643856 /nfs/dbraw/zinc/64/38/56/730643856.db2.gz QTMBVYMTBKKFJL-SNVBAGLBSA-N 1 2 283.759 1.285 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(Cl)[nH]2)C1 ZINC001035500104 730643858 /nfs/dbraw/zinc/64/38/58/730643858.db2.gz QTMBVYMTBKKFJL-SNVBAGLBSA-N 1 2 283.759 1.285 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)NCC(C)(C)CCC#N)CCO1 ZINC000806666403 730644481 /nfs/dbraw/zinc/64/44/81/730644481.db2.gz MKWNWTSVKIXIKG-ZDUSSCGKSA-N 1 2 296.415 1.336 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)NCC(C)(C)CCC#N)CCO1 ZINC000806666403 730644490 /nfs/dbraw/zinc/64/44/90/730644490.db2.gz MKWNWTSVKIXIKG-ZDUSSCGKSA-N 1 2 296.415 1.336 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccc(F)c(F)c2)C1 ZINC001030864822 730649551 /nfs/dbraw/zinc/64/95/51/730649551.db2.gz UHGSLAQTRBJHRU-UHFFFAOYSA-N 1 2 280.318 1.884 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)OCCc1c[nH+]cn1C ZINC000793251234 730709232 /nfs/dbraw/zinc/70/92/32/730709232.db2.gz UTWBSBHXVCYHPF-CQSZACIVSA-N 1 2 266.341 1.735 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc3cccnc3c2)C1 ZINC001030507976 730778672 /nfs/dbraw/zinc/77/86/72/730778672.db2.gz QALVVKIXACWVLR-UHFFFAOYSA-N 1 2 293.370 1.601 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)CC2CC(OCC)C2)C1 ZINC001043610128 730855250 /nfs/dbraw/zinc/85/52/50/730855250.db2.gz PWFIKFIQDDVCKH-UHFFFAOYSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cocn3)C[C@H]21 ZINC001074189988 730862115 /nfs/dbraw/zinc/86/21/15/730862115.db2.gz KWBYPUPWCJOECH-KGLIPLIRSA-N 1 2 291.351 1.166 20 30 CDEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cocn3)C[C@H]21 ZINC001074189988 730862117 /nfs/dbraw/zinc/86/21/17/730862117.db2.gz KWBYPUPWCJOECH-KGLIPLIRSA-N 1 2 291.351 1.166 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC001038480378 730868728 /nfs/dbraw/zinc/86/87/28/730868728.db2.gz XLJVZJBCKRYXKL-GFCCVEGCSA-N 1 2 297.358 1.518 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC001038480378 730868729 /nfs/dbraw/zinc/86/87/29/730868729.db2.gz XLJVZJBCKRYXKL-GFCCVEGCSA-N 1 2 297.358 1.518 20 30 CDEDLO N#CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@H]12 ZINC000991122606 730890489 /nfs/dbraw/zinc/89/04/89/730890489.db2.gz WHQOUVQEQQLFDR-UNIGVISCSA-N 1 2 299.378 1.150 20 30 CDEDLO N#CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@H]12 ZINC000991122606 730890490 /nfs/dbraw/zinc/89/04/90/730890490.db2.gz WHQOUVQEQQLFDR-UNIGVISCSA-N 1 2 299.378 1.150 20 30 CDEDLO N#CCN[C@H]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000981223972 730892106 /nfs/dbraw/zinc/89/21/06/730892106.db2.gz QHIYQCGJGJCEFU-STQMWFEESA-N 1 2 297.362 1.488 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@@H](CC)C1 ZINC000884144180 730918137 /nfs/dbraw/zinc/91/81/37/730918137.db2.gz DDDXRPDQRRKGRT-UPJWGTAASA-N 1 2 282.384 1.518 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCCO[C@H](C)C#N)cc1OC ZINC000802729854 730937994 /nfs/dbraw/zinc/93/79/94/730937994.db2.gz RUEKUQUHDFOEAY-SNVBAGLBSA-N 1 2 293.323 1.479 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2noc3ccccc32)C1 ZINC001030633513 730939682 /nfs/dbraw/zinc/93/96/82/730939682.db2.gz WLRBSTDCZBRMQF-UHFFFAOYSA-N 1 2 285.347 1.747 20 30 CDEDLO CCN1CC[C@H]([NH+]2CCN(c3ccc(C#N)cc3)CC2)C1=O ZINC000879586307 730940856 /nfs/dbraw/zinc/94/08/56/730940856.db2.gz BYQXTFBGQYBQMF-INIZCTEOSA-N 1 2 298.390 1.301 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@@H]1C ZINC001018108166 730952276 /nfs/dbraw/zinc/95/22/76/730952276.db2.gz XUBONHLQQLCPDU-APIJFGDWSA-N 1 2 276.380 1.110 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@@H]1C ZINC001018108166 730952277 /nfs/dbraw/zinc/95/22/77/730952277.db2.gz XUBONHLQQLCPDU-APIJFGDWSA-N 1 2 276.380 1.110 20 30 CDEDLO CC[C@@H]1C[N@H+](CCO[C@H](C)C#N)C[C@@H](C)[S@]1=O ZINC000796376049 730959365 /nfs/dbraw/zinc/95/93/65/730959365.db2.gz HKXJJTQCMGPXKX-BDBYMAIGSA-N 1 2 258.387 1.146 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCO[C@H](C)C#N)C[C@@H](C)[S@]1=O ZINC000796376049 730959369 /nfs/dbraw/zinc/95/93/69/730959369.db2.gz HKXJJTQCMGPXKX-BDBYMAIGSA-N 1 2 258.387 1.146 20 30 CDEDLO Cc1[nH+]cc(C=NNC(=S)NCC2CCC2)n1C ZINC000853302049 731004081 /nfs/dbraw/zinc/00/40/81/731004081.db2.gz VUUIHPJRZSVXCA-UHFFFAOYSA-N 1 2 265.386 1.327 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2nccs2)[C@@H]1C ZINC000994059032 731022833 /nfs/dbraw/zinc/02/28/33/731022833.db2.gz LWSOMKGHSBCXHO-WDEREUQCSA-N 1 2 263.366 1.359 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2nccs2)[C@@H]1C ZINC000994059032 731022834 /nfs/dbraw/zinc/02/28/34/731022834.db2.gz LWSOMKGHSBCXHO-WDEREUQCSA-N 1 2 263.366 1.359 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCO1 ZINC001027736115 731028656 /nfs/dbraw/zinc/02/86/56/731028656.db2.gz 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/nfs/dbraw/zinc/09/45/23/731094523.db2.gz ARKYWIWDBULKCH-LBPRGKRZSA-N 1 2 255.362 1.047 20 30 CDEDLO C#CCC1([NH2+]CC(=O)OCCCC)CCOCC1 ZINC000887125824 731099415 /nfs/dbraw/zinc/09/94/15/731099415.db2.gz LFPCJFVJSFFQGV-UHFFFAOYSA-N 1 2 253.342 1.492 20 30 CDEDLO Cc1cc(C[N@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)no1 ZINC001072559011 731168883 /nfs/dbraw/zinc/16/88/83/731168883.db2.gz JNCNREUKNYPMIA-NSHDSACASA-N 1 2 288.351 1.177 20 30 CDEDLO Cc1cc(C[N@@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)no1 ZINC001072559011 731168897 /nfs/dbraw/zinc/16/88/97/731168897.db2.gz JNCNREUKNYPMIA-NSHDSACASA-N 1 2 288.351 1.177 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1oncc1C ZINC001051192723 731173957 /nfs/dbraw/zinc/17/39/57/731173957.db2.gz NATYROQEAOFFSK-ZDUSSCGKSA-N 1 2 293.367 1.380 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1oncc1C ZINC001051192723 731173967 /nfs/dbraw/zinc/17/39/67/731173967.db2.gz NATYROQEAOFFSK-ZDUSSCGKSA-N 1 2 293.367 1.380 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2csnn2)C1 ZINC000999900575 731181352 /nfs/dbraw/zinc/18/13/52/731181352.db2.gz QTSYEYRYGGHZDW-NSHDSACASA-N 1 2 294.424 1.831 20 30 CDEDLO C#CC[C@@H](CCOC)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000858524801 731192460 /nfs/dbraw/zinc/19/24/60/731192460.db2.gz SSBVRVWJWHAOHX-HNNXBMFYSA-N 1 2 289.379 1.926 20 30 CDEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC001051963755 731222550 /nfs/dbraw/zinc/22/25/50/731222550.db2.gz AUMLZRKMHGMOOI-INIZCTEOSA-N 1 2 289.423 1.028 20 30 CDEDLO C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(F)C(F)(F)F ZINC001032416400 731268528 /nfs/dbraw/zinc/26/85/28/731268528.db2.gz DXFLAXDEUQWBOB-GUBZILKMSA-N 1 2 280.265 1.748 20 30 CDEDLO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(F)C(F)(F)F ZINC001032416400 731268531 /nfs/dbraw/zinc/26/85/31/731268531.db2.gz DXFLAXDEUQWBOB-GUBZILKMSA-N 1 2 280.265 1.748 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccn(C)c2)C1 ZINC001007091706 731305437 /nfs/dbraw/zinc/30/54/37/731305437.db2.gz 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/nfs/dbraw/zinc/31/92/02/731319202.db2.gz WFHAOZZZOLYUHP-LBPRGKRZSA-N 1 2 291.420 1.923 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001051098978 731333294 /nfs/dbraw/zinc/33/32/94/731333294.db2.gz QUOWGSXPYIVKPC-NSHDSACASA-N 1 2 297.786 1.675 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001051098978 731333299 /nfs/dbraw/zinc/33/32/99/731333299.db2.gz QUOWGSXPYIVKPC-NSHDSACASA-N 1 2 297.786 1.675 20 30 CDEDLO C#C[C@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000776473565 731342317 /nfs/dbraw/zinc/34/23/17/731342317.db2.gz BSHZJFRRCKBPFX-LBPRGKRZSA-N 1 2 268.320 1.693 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C(CC)CC)C[C@H]21 ZINC001074171609 731355666 /nfs/dbraw/zinc/35/56/66/731355666.db2.gz WEJPWOLULMJUPZ-CVEARBPZSA-N 1 2 292.423 1.748 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(CC)CC)C[C@H]21 ZINC001074171609 731355671 /nfs/dbraw/zinc/35/56/71/731355671.db2.gz WEJPWOLULMJUPZ-CVEARBPZSA-N 1 2 292.423 1.748 20 30 CDEDLO 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C=C(C)C[NH+]1CC(NC(=O)c2cn(C)nc2C2CCC2)C1 ZINC001030548636 731609991 /nfs/dbraw/zinc/60/99/91/731609991.db2.gz YOAVNCMGSDQFBK-UHFFFAOYSA-N 1 2 288.395 1.678 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC23CCC3)C1 ZINC001035531817 731657425 /nfs/dbraw/zinc/65/74/25/731657425.db2.gz UJDSLAJZNPUGQE-KBPBESRZSA-N 1 2 278.396 1.570 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC23CCC3)C1 ZINC001035531817 731657426 /nfs/dbraw/zinc/65/74/26/731657426.db2.gz UJDSLAJZNPUGQE-KBPBESRZSA-N 1 2 278.396 1.570 20 30 CDEDLO CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC(NCC#N)C1 ZINC000998988434 731666390 /nfs/dbraw/zinc/66/63/90/731666390.db2.gz KBQUGVWDWVCWSR-UHFFFAOYSA-N 1 2 283.335 1.279 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2oc(C)nc2c1 ZINC001038384164 731721250 /nfs/dbraw/zinc/72/12/50/731721250.db2.gz BTCONNDNKAGYCJ-ZDUSSCGKSA-N 1 2 283.331 1.574 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2oc(C)nc2c1 ZINC001038384164 731721262 /nfs/dbraw/zinc/72/12/62/731721262.db2.gz 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ZINC001032812339 731799464 /nfs/dbraw/zinc/79/94/64/731799464.db2.gz XFXOBOSUTKAWKG-UWVGGRQHSA-N 1 2 266.341 1.972 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC001031488863 731814099 /nfs/dbraw/zinc/81/40/99/731814099.db2.gz FPOIVTVUQWSEFG-UHFFFAOYSA-N 1 2 285.322 1.744 20 30 CDEDLO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1[nH]nc2c1CCCC2 ZINC001038454449 731833455 /nfs/dbraw/zinc/83/34/55/731833455.db2.gz YLXVVWZPAFURMS-GFCCVEGCSA-N 1 2 286.379 1.116 20 30 CDEDLO C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1[nH]nc2c1CCCC2 ZINC001038454449 731833456 /nfs/dbraw/zinc/83/34/56/731833456.db2.gz YLXVVWZPAFURMS-GFCCVEGCSA-N 1 2 286.379 1.116 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccnc2-n2cccn2)C1 ZINC001030771791 731872788 /nfs/dbraw/zinc/87/27/88/731872788.db2.gz ARDSCELWWJEQEB-UHFFFAOYSA-N 1 2 297.362 1.257 20 30 CDEDLO Cc1csc(SC[C@@H](O)C[N@H+](C)CCC#N)n1 ZINC000840734844 731884008 /nfs/dbraw/zinc/88/40/08/731884008.db2.gz FMQFKUVSGOOSQZ-JTQLQIEISA-N 1 2 271.411 1.750 20 30 CDEDLO Cc1csc(SC[C@@H](O)C[N@@H+](C)CCC#N)n1 ZINC000840734844 731884011 /nfs/dbraw/zinc/88/40/11/731884011.db2.gz FMQFKUVSGOOSQZ-JTQLQIEISA-N 1 2 271.411 1.750 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)c(F)c1 ZINC001038486798 731935519 /nfs/dbraw/zinc/93/55/19/731935519.db2.gz VTLYUKRYZVELFN-AWEZNQCLSA-N 1 2 274.339 1.962 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)c(F)c1 ZINC001038486798 731935522 /nfs/dbraw/zinc/93/55/22/731935522.db2.gz VTLYUKRYZVELFN-AWEZNQCLSA-N 1 2 274.339 1.962 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2occc2Cl)C1 ZINC001035495728 731966601 /nfs/dbraw/zinc/96/66/01/731966601.db2.gz MFVWBKJUVXPNGP-LLVKDONJSA-N 1 2 296.754 1.387 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2occc2Cl)C1 ZINC001035495728 731966603 /nfs/dbraw/zinc/96/66/03/731966603.db2.gz MFVWBKJUVXPNGP-LLVKDONJSA-N 1 2 296.754 1.387 20 30 CDEDLO Cc1ccc(C(=O)NCCc2c[nH+]cn2C)cc1C#N ZINC000799719076 731977049 /nfs/dbraw/zinc/97/70/49/731977049.db2.gz FYZIUICXOIGRGN-UHFFFAOYSA-N 1 2 268.320 1.573 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccc(C)cc2)C1 ZINC001043249072 731985296 /nfs/dbraw/zinc/98/52/96/731985296.db2.gz OFZBHESVZWFDSF-UHFFFAOYSA-N 1 2 258.365 1.866 20 30 CDEDLO N#CCC1(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000797565930 732002114 /nfs/dbraw/zinc/00/21/14/732002114.db2.gz MWFAFQOZCFIAKF-CYBMUJFWSA-N 1 2 287.367 1.923 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H]1C ZINC000994171167 732009606 /nfs/dbraw/zinc/00/96/06/732009606.db2.gz DVMJWVNXACDKMP-WDEREUQCSA-N 1 2 297.790 1.069 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H]1C ZINC000994171167 732009609 /nfs/dbraw/zinc/00/96/09/732009609.db2.gz DVMJWVNXACDKMP-WDEREUQCSA-N 1 2 297.790 1.069 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c[nH]c(=O)cc2OC)C1 ZINC001043895729 732025814 /nfs/dbraw/zinc/02/58/14/732025814.db2.gz JQJHAVHUOWLLDO-UHFFFAOYSA-N 1 2 291.351 1.128 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001038731338 732029120 /nfs/dbraw/zinc/02/91/20/732029120.db2.gz IOROXCPGGWTLQP-JHJVBQTASA-N 1 2 258.321 1.207 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001038731338 732029123 /nfs/dbraw/zinc/02/91/23/732029123.db2.gz IOROXCPGGWTLQP-JHJVBQTASA-N 1 2 258.321 1.207 20 30 CDEDLO Cc1nc(C[N@H+]2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)co1 ZINC001072553418 732030448 /nfs/dbraw/zinc/03/04/48/732030448.db2.gz ZETAVTXXZYNANS-LLVKDONJSA-N 1 2 288.351 1.177 20 30 CDEDLO Cc1nc(C[N@@H+]2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)co1 ZINC001072553418 732030454 /nfs/dbraw/zinc/03/04/54/732030454.db2.gz ZETAVTXXZYNANS-LLVKDONJSA-N 1 2 288.351 1.177 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnc3[nH]c(C)nc3c2)C1 ZINC001042879993 732041185 /nfs/dbraw/zinc/04/11/85/732041185.db2.gz BBACLMCVANIKFX-UHFFFAOYSA-N 1 2 299.378 1.599 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)c(OC)c1 ZINC001038775948 732048261 /nfs/dbraw/zinc/04/82/61/732048261.db2.gz IXVLABLXBZVQJJ-LBPRGKRZSA-N 1 2 292.766 1.786 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)c(OC)c1 ZINC001038775948 732048264 /nfs/dbraw/zinc/04/82/64/732048264.db2.gz IXVLABLXBZVQJJ-LBPRGKRZSA-N 1 2 292.766 1.786 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccns2)[C@@H]1C ZINC000993375005 732052386 /nfs/dbraw/zinc/05/23/86/732052386.db2.gz GUUATHBFLXNFAY-QWRGUYRKSA-N 1 2 263.366 1.359 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccns2)[C@@H]1C ZINC000993375005 732052390 /nfs/dbraw/zinc/05/23/90/732052390.db2.gz GUUATHBFLXNFAY-QWRGUYRKSA-N 1 2 263.366 1.359 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1=CCOCC1 ZINC001017882168 732059144 /nfs/dbraw/zinc/05/91/44/732059144.db2.gz IPTBIMZADPFGLX-GASCZTMLSA-N 1 2 274.364 1.032 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1=CCOCC1 ZINC001017882168 732059147 /nfs/dbraw/zinc/05/91/47/732059147.db2.gz IPTBIMZADPFGLX-GASCZTMLSA-N 1 2 274.364 1.032 20 30 CDEDLO CC(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001010230924 732073805 /nfs/dbraw/zinc/07/38/05/732073805.db2.gz XCNRVSSFWJXQGA-OAHLLOKOSA-N 1 2 271.364 1.905 20 30 CDEDLO CC(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001010230924 732073812 /nfs/dbraw/zinc/07/38/12/732073812.db2.gz XCNRVSSFWJXQGA-OAHLLOKOSA-N 1 2 271.364 1.905 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C(C)(C)C)on2)C1 ZINC001043308284 732116979 /nfs/dbraw/zinc/11/69/79/732116979.db2.gz FHCRAHAAMQAAIW-UHFFFAOYSA-N 1 2 289.379 1.752 20 30 CDEDLO CC(C)[C@H](C)NC(=O)CO[NH+]=C(N)c1ccccc1 ZINC000072807321 732120631 /nfs/dbraw/zinc/12/06/31/732120631.db2.gz UJUWNLDTPJLOAT-NSHDSACASA-N 1 2 263.341 1.484 20 30 CDEDLO CC(=[NH+]NC1CCS(=O)(=O)CC1)c1cc(N)ccc1F ZINC000814894076 732137551 /nfs/dbraw/zinc/13/75/51/732137551.db2.gz CTFLVHSTAFUODO-UHFFFAOYSA-N 1 2 299.371 1.299 20 30 CDEDLO C=C(C)CC[NH+]1CC(NC(=O)c2cc(=O)c(OC)co2)C1 ZINC001030678847 732177798 /nfs/dbraw/zinc/17/77/98/732177798.db2.gz NLTAGKYYHGYXGA-UHFFFAOYSA-N 1 2 292.335 1.029 20 30 CDEDLO N#CCOc1ccccc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779098120 732185638 /nfs/dbraw/zinc/18/56/38/732185638.db2.gz ZUJFEJRBEZLVDX-GFCCVEGCSA-N 1 2 296.330 1.530 20 30 CDEDLO CCn1nc(C)c(C[NH2+]Cc2ccc(C#N)c(F)c2)n1 ZINC000825232469 732198772 /nfs/dbraw/zinc/19/87/72/732198772.db2.gz WCQUCLICBMQJAY-UHFFFAOYSA-N 1 2 273.315 1.907 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1ccc(C)cc1 ZINC000884052455 732211504 /nfs/dbraw/zinc/21/15/04/732211504.db2.gz PJPVTJXMSJIBPS-AWEZNQCLSA-N 1 2 290.363 1.400 20 30 CDEDLO COc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)c(OC)c1 ZINC000819397538 732279813 /nfs/dbraw/zinc/27/98/13/732279813.db2.gz DPFQIFVSBUOCRY-LBPRGKRZSA-N 1 2 293.367 1.322 20 30 CDEDLO COc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)c(OC)c1 ZINC000819397538 732279814 /nfs/dbraw/zinc/27/98/14/732279814.db2.gz DPFQIFVSBUOCRY-LBPRGKRZSA-N 1 2 293.367 1.322 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@]23C[C@H]2COC3)C1 ZINC001033835152 732288091 /nfs/dbraw/zinc/28/80/91/732288091.db2.gz NJIKYGAKHHWZGT-YDHLFZDLSA-N 1 2 298.814 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@]23C[C@H]2COC3)C1 ZINC001033835152 732288095 /nfs/dbraw/zinc/28/80/95/732288095.db2.gz NJIKYGAKHHWZGT-YDHLFZDLSA-N 1 2 298.814 1.698 20 30 CDEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)c(C)o2)C1 ZINC001047347849 732373116 /nfs/dbraw/zinc/37/31/16/732373116.db2.gz NVUKKFBFHZXGCF-KBPBESRZSA-N 1 2 290.363 1.037 20 30 CDEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)c(C)o2)C1 ZINC001047347849 732373120 /nfs/dbraw/zinc/37/31/20/732373120.db2.gz NVUKKFBFHZXGCF-KBPBESRZSA-N 1 2 290.363 1.037 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nn(CC)nc1C ZINC001018347465 732380471 /nfs/dbraw/zinc/38/04/71/732380471.db2.gz XGZXXSLPJUXLIB-BETUJISGSA-N 1 2 289.383 1.081 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nn(CC)nc1C ZINC001018347465 732380476 /nfs/dbraw/zinc/38/04/76/732380476.db2.gz XGZXXSLPJUXLIB-BETUJISGSA-N 1 2 289.383 1.081 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1noc2c1C[C@@H](C)CC2 ZINC001038869103 732395500 /nfs/dbraw/zinc/39/55/00/732395500.db2.gz DUFUYEDTTKWKNJ-RYUDHWBXSA-N 1 2 287.363 1.237 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1noc2c1C[C@@H](C)CC2 ZINC001038869103 732395507 /nfs/dbraw/zinc/39/55/07/732395507.db2.gz DUFUYEDTTKWKNJ-RYUDHWBXSA-N 1 2 287.363 1.237 20 30 CDEDLO C#CC[N@H+]1CC[C@](C)(NC(=O)c2scnc2Cl)C1 ZINC001046843420 732449049 /nfs/dbraw/zinc/44/90/49/732449049.db2.gz WJLYRYIQBYXVLB-LBPRGKRZSA-N 1 2 283.784 1.624 20 30 CDEDLO C#CC[N@@H+]1CC[C@](C)(NC(=O)c2scnc2Cl)C1 ZINC001046843420 732449052 /nfs/dbraw/zinc/44/90/52/732449052.db2.gz WJLYRYIQBYXVLB-LBPRGKRZSA-N 1 2 283.784 1.624 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc(C)cc1 ZINC001018241686 732462589 /nfs/dbraw/zinc/46/25/89/732462589.db2.gz HDOLFNPIANUJTP-IYBDPMFKSA-N 1 2 298.386 1.682 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc(C)cc1 ZINC001018241686 732462596 /nfs/dbraw/zinc/46/25/96/732462596.db2.gz HDOLFNPIANUJTP-IYBDPMFKSA-N 1 2 298.386 1.682 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H]2CCC(=O)O2)c1 ZINC000851729984 732499988 /nfs/dbraw/zinc/49/99/88/732499988.db2.gz KAOILLYJTSKLOV-CQSZACIVSA-N 1 2 286.331 1.244 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H]2CCC(=O)O2)c1 ZINC000851729984 732499997 /nfs/dbraw/zinc/49/99/97/732499997.db2.gz KAOILLYJTSKLOV-CQSZACIVSA-N 1 2 286.331 1.244 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)C2CC(OC)C2)CC1 ZINC001000817016 732524036 /nfs/dbraw/zinc/52/40/36/732524036.db2.gz UGMSZEFSFCTETK-UHFFFAOYSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)C2CC(OC)C2)CC1 ZINC001000817016 732524042 /nfs/dbraw/zinc/52/40/42/732524042.db2.gz UGMSZEFSFCTETK-UHFFFAOYSA-N 1 2 298.814 1.912 20 30 CDEDLO C#CCOc1ccccc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000819472997 732550446 /nfs/dbraw/zinc/55/04/46/732550446.db2.gz FDWKNMLXVFEYCW-CQSZACIVSA-N 1 2 287.363 1.317 20 30 CDEDLO C#CCOc1ccccc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000819472997 732550451 /nfs/dbraw/zinc/55/04/51/732550451.db2.gz FDWKNMLXVFEYCW-CQSZACIVSA-N 1 2 287.363 1.317 20 30 CDEDLO Cc1ccc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c(C#N)n1 ZINC000882350842 732575046 /nfs/dbraw/zinc/57/50/46/732575046.db2.gz LEJHHROVVVOHKN-KBPBESRZSA-N 1 2 286.379 1.561 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCOC1 ZINC001027777114 732579472 /nfs/dbraw/zinc/57/94/72/732579472.db2.gz DJDDIUBOEGDGFS-CHWSQXEVSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCOC1 ZINC001027777114 732579481 /nfs/dbraw/zinc/57/94/81/732579481.db2.gz DJDDIUBOEGDGFS-CHWSQXEVSA-N 1 2 286.803 1.746 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)C(C)(C)C1(C)C ZINC001032820039 732630841 /nfs/dbraw/zinc/63/08/41/732630841.db2.gz XHRNLNUAOZMMLV-STQMWFEESA-N 1 2 274.408 1.977 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)C(C)(C)C1(C)C ZINC001032820039 732630844 /nfs/dbraw/zinc/63/08/44/732630844.db2.gz XHRNLNUAOZMMLV-STQMWFEESA-N 1 2 274.408 1.977 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C(F)F)c1 ZINC001018107583 732681261 /nfs/dbraw/zinc/68/12/61/732681261.db2.gz UIHFLWDXMNGYRF-TXEJJXNPSA-N 1 2 294.305 1.200 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C(F)F)c1 ZINC001018107583 732681267 /nfs/dbraw/zinc/68/12/67/732681267.db2.gz UIHFLWDXMNGYRF-TXEJJXNPSA-N 1 2 294.305 1.200 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001010060800 732698971 /nfs/dbraw/zinc/69/89/71/732698971.db2.gz OQEWTWSZABHZKX-WDEREUQCSA-N 1 2 258.749 1.108 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001010060800 732698983 /nfs/dbraw/zinc/69/89/83/732698983.db2.gz OQEWTWSZABHZKX-WDEREUQCSA-N 1 2 258.749 1.108 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1conc1C ZINC001051092096 732704935 /nfs/dbraw/zinc/70/49/35/732704935.db2.gz GVYZLBFEXDTPCM-ZDUSSCGKSA-N 1 2 293.367 1.380 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1conc1C ZINC001051092096 732704945 /nfs/dbraw/zinc/70/49/45/732704945.db2.gz GVYZLBFEXDTPCM-ZDUSSCGKSA-N 1 2 293.367 1.380 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(F)c1OCC ZINC001038858651 732727758 /nfs/dbraw/zinc/72/77/58/732727758.db2.gz YRTRBNWKEWYNEK-LBPRGKRZSA-N 1 2 290.338 1.662 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(F)c1OCC ZINC001038858651 732727771 /nfs/dbraw/zinc/72/77/71/732727771.db2.gz YRTRBNWKEWYNEK-LBPRGKRZSA-N 1 2 290.338 1.662 20 30 CDEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)CC#N ZINC000929790993 732736623 /nfs/dbraw/zinc/73/66/23/732736623.db2.gz PEMYQUZZMJQZNS-GHMZBOCLSA-N 1 2 254.330 1.067 20 30 CDEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1C[C@H](O)CC#N ZINC000929790993 732736633 /nfs/dbraw/zinc/73/66/33/732736633.db2.gz PEMYQUZZMJQZNS-GHMZBOCLSA-N 1 2 254.330 1.067 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cnc(CC3CC3)s2)C1 ZINC001015384514 732785207 /nfs/dbraw/zinc/78/52/07/732785207.db2.gz DTICZIATPAYFJK-LBPRGKRZSA-N 1 2 289.404 1.533 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnc(CC3CC3)s2)C1 ZINC001015384514 732785216 /nfs/dbraw/zinc/78/52/16/732785216.db2.gz DTICZIATPAYFJK-LBPRGKRZSA-N 1 2 289.404 1.533 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC1(C)C ZINC001032577612 732796855 /nfs/dbraw/zinc/79/68/55/732796855.db2.gz PJXIWBZZQXQKRK-IHRRRGAJSA-N 1 2 260.381 1.731 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC1(C)C ZINC001032577612 732796859 /nfs/dbraw/zinc/79/68/59/732796859.db2.gz PJXIWBZZQXQKRK-IHRRRGAJSA-N 1 2 260.381 1.731 20 30 CDEDLO C[C@H](O)c1cc(NC[C@@H](O)C[N@H+](C)CCC#N)ccc1F ZINC000819485206 732803698 /nfs/dbraw/zinc/80/36/98/732803698.db2.gz BOGJJPOOPUZCTP-WCQYABFASA-N 1 2 295.358 1.497 20 30 CDEDLO C[C@H](O)c1cc(NC[C@@H](O)C[N@@H+](C)CCC#N)ccc1F ZINC000819485206 732803701 /nfs/dbraw/zinc/80/37/01/732803701.db2.gz BOGJJPOOPUZCTP-WCQYABFASA-N 1 2 295.358 1.497 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCCC3(C2)OCCO3)ccn1 ZINC000134073654 732824785 /nfs/dbraw/zinc/82/47/85/732824785.db2.gz WPBRQTWFDLIJHL-UHFFFAOYSA-N 1 2 259.309 1.292 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCCC3(C2)OCCO3)ccn1 ZINC000134073654 732824787 /nfs/dbraw/zinc/82/47/87/732824787.db2.gz WPBRQTWFDLIJHL-UHFFFAOYSA-N 1 2 259.309 1.292 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001032684315 732833589 /nfs/dbraw/zinc/83/35/89/732833589.db2.gz KYGWRJKEOJDLID-RCBQFDQVSA-N 1 2 296.370 1.542 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001032684315 732833591 /nfs/dbraw/zinc/83/35/91/732833591.db2.gz KYGWRJKEOJDLID-RCBQFDQVSA-N 1 2 296.370 1.542 20 30 CDEDLO C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2c[nH]nc21 ZINC001032405543 732865439 /nfs/dbraw/zinc/86/54/39/732865439.db2.gz HZCWANBMTKJHMM-SOUVJXGZSA-N 1 2 298.390 1.138 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCOC2)C1 ZINC001032950385 732886979 /nfs/dbraw/zinc/88/69/79/732886979.db2.gz FCBRJEXAOOROBT-OLZOCXBDSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCOC2)C1 ZINC001032950385 732886980 /nfs/dbraw/zinc/88/69/80/732886980.db2.gz FCBRJEXAOOROBT-OLZOCXBDSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccncc2CC)C1 ZINC001030579116 732967894 /nfs/dbraw/zinc/96/78/94/732967894.db2.gz VEEJEUWRIATECI-UHFFFAOYSA-N 1 2 259.353 1.634 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@]23CCOC3)CC1 ZINC000989435556 732968159 /nfs/dbraw/zinc/96/81/59/732968159.db2.gz HLHKNHMRUSSSOV-HIFRSBDPSA-N 1 2 298.814 1.700 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2C[C@]23CCOC3)CC1 ZINC000989435556 732968169 /nfs/dbraw/zinc/96/81/69/732968169.db2.gz HLHKNHMRUSSSOV-HIFRSBDPSA-N 1 2 298.814 1.700 20 30 CDEDLO Cc1ccc(C(=O)NCc2c[nH+]cn2C)cc1C#N ZINC000810754684 732977112 /nfs/dbraw/zinc/97/71/12/732977112.db2.gz FIUSHJLWIAPBBQ-UHFFFAOYSA-N 1 2 254.293 1.530 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@H]1C)O2 ZINC001053642912 732981133 /nfs/dbraw/zinc/98/11/33/732981133.db2.gz OMULTTFXPGIVED-FRRDWIJNSA-N 1 2 264.369 1.178 20 30 CDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001004341374 733009823 /nfs/dbraw/zinc/00/98/23/733009823.db2.gz WYJZJIPWODOENV-HUUCEWRRSA-N 1 2 291.395 1.392 20 30 CDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001004341374 733009827 /nfs/dbraw/zinc/00/98/27/733009827.db2.gz WYJZJIPWODOENV-HUUCEWRRSA-N 1 2 291.395 1.392 20 30 CDEDLO CCC[N@@H+](CC(=O)OC)C[C@H](O)c1ccc(C#N)cc1 ZINC000178301636 733019287 /nfs/dbraw/zinc/01/92/87/733019287.db2.gz BBNPQLPQSRIWHD-AWEZNQCLSA-N 1 2 276.336 1.477 20 30 CDEDLO CCC[N@H+](CC(=O)OC)C[C@H](O)c1ccc(C#N)cc1 ZINC000178301636 733019292 /nfs/dbraw/zinc/01/92/92/733019292.db2.gz BBNPQLPQSRIWHD-AWEZNQCLSA-N 1 2 276.336 1.477 20 30 CDEDLO COc1c(O)c(C[NH2+]C[C@H](C)C#N)ccc1[N+](=O)[O-] ZINC000775060010 733029960 /nfs/dbraw/zinc/02/99/60/733029960.db2.gz DVDWDGYTVPKIGO-MRVPVSSYSA-N 1 2 265.269 1.558 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc2ccncc21 ZINC001032542960 733033164 /nfs/dbraw/zinc/03/31/64/733033164.db2.gz ZXGKOCBCOYWOPD-STQMWFEESA-N 1 2 292.342 1.162 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc2ccncc21 ZINC001032542960 733033167 /nfs/dbraw/zinc/03/31/67/733033167.db2.gz ZXGKOCBCOYWOPD-STQMWFEESA-N 1 2 292.342 1.162 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(F)cn2)C1 ZINC001035340767 733034326 /nfs/dbraw/zinc/03/43/26/733034326.db2.gz MLRVTNVLFJRVJK-ZDUSSCGKSA-N 1 2 293.342 1.227 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(F)cn2)C1 ZINC001035340767 733034331 /nfs/dbraw/zinc/03/43/31/733034331.db2.gz MLRVTNVLFJRVJK-ZDUSSCGKSA-N 1 2 293.342 1.227 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)cc(C)nc1C ZINC001038534289 733042876 /nfs/dbraw/zinc/04/28/76/733042876.db2.gz WRDIZRQXZMOWLI-CQSZACIVSA-N 1 2 271.364 1.444 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)cc(C)nc1C ZINC001038534289 733042879 /nfs/dbraw/zinc/04/28/79/733042879.db2.gz WRDIZRQXZMOWLI-CQSZACIVSA-N 1 2 271.364 1.444 20 30 CDEDLO CC[C@@H](O)CN[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000811652784 733047581 /nfs/dbraw/zinc/04/75/81/733047581.db2.gz XOADRFOILXFBQV-GFCCVEGCSA-N 1 2 265.357 1.964 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCO[C@@H](C)C2)C1 ZINC001031153596 733052518 /nfs/dbraw/zinc/05/25/18/733052518.db2.gz RRYMXUCYPMABAM-RYUDHWBXSA-N 1 2 252.358 1.178 20 30 CDEDLO C=CCC[NH+]1CC(N(C)C(=O)c2snnc2C2CC2)C1 ZINC001042985594 733077042 /nfs/dbraw/zinc/07/70/42/733077042.db2.gz OVEADKYJZMLLCM-UHFFFAOYSA-N 1 2 292.408 1.748 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2cccc(N(C)C)c2)C1 ZINC001044226360 733107969 /nfs/dbraw/zinc/10/79/69/733107969.db2.gz DCSPWUCRQVWNGI-UHFFFAOYSA-N 1 2 273.380 1.695 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccnnc2)[C@H]1C ZINC000993865421 733144963 /nfs/dbraw/zinc/14/49/63/733144963.db2.gz VEIMBWTWWHMCOO-YPMHNXCESA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccnnc2)[C@H]1C ZINC000993865421 733144972 /nfs/dbraw/zinc/14/49/72/733144972.db2.gz VEIMBWTWWHMCOO-YPMHNXCESA-N 1 2 294.786 1.812 20 30 CDEDLO C#CCN1CC[NH+](Cc2ccc(N3CCCC3)o2)CC1 ZINC001137069536 1165529449 /nfs/dbraw/zinc/52/94/49/1165529449.db2.gz BPEVGFCRACKNRY-UHFFFAOYSA-N 1 2 273.380 1.631 20 30 CDEDLO N#Cc1ccc(NC(=O)NCc2ccc[nH+]c2N)nc1 ZINC001626648516 1165950546 /nfs/dbraw/zinc/95/05/46/1165950546.db2.gz CKVVTBWXWTVQRG-UHFFFAOYSA-N 1 2 268.280 1.252 20 30 CDEDLO N#CCCCC[NH+]1CC2(C1)CN(C1CCCC1)C(=O)CO2 ZINC001274043613 1166569657 /nfs/dbraw/zinc/56/96/57/1166569657.db2.gz QTCDLFGHLRUSGP-UHFFFAOYSA-N 1 2 291.395 1.536 20 30 CDEDLO C#CC[C@H]([NH2+][C@H]1CC[C@H](CC(=O)OCC)C1)C(=O)OC ZINC001173638637 912683387 /nfs/dbraw/zinc/68/33/87/912683387.db2.gz YRJOJCUHNCMAFW-AVGNSLFASA-N 1 2 281.352 1.263 20 30 CDEDLO C#Cc1cc(Nc2cccc(C(=O)N(C)C)c2)cc[nH+]1 ZINC001174084275 912990914 /nfs/dbraw/zinc/99/09/14/912990914.db2.gz PSNMQYVUHIYARQ-UHFFFAOYSA-N 1 2 265.316 1.930 20 30 CDEDLO N#Cc1ccnnc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001175858308 913832395 /nfs/dbraw/zinc/83/23/95/913832395.db2.gz LYFLQFGQGHMUCZ-UHFFFAOYSA-N 1 2 295.346 1.924 20 30 CDEDLO C#CC[NH+]1CCN(CCc2cccnc2OC(C)C)CC1 ZINC001208799923 894304049 /nfs/dbraw/zinc/30/40/49/894304049.db2.gz FCYCHGJOWNOLBW-UHFFFAOYSA-N 1 2 287.407 1.662 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cn(C)nc1CC ZINC001480876354 895041152 /nfs/dbraw/zinc/04/11/52/895041152.db2.gz CCAWQFFNLCKXOQ-UHFFFAOYSA-N 1 2 284.791 1.397 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cn(C)nc1CC ZINC001480876354 895041169 /nfs/dbraw/zinc/04/11/69/895041169.db2.gz CCAWQFFNLCKXOQ-UHFFFAOYSA-N 1 2 284.791 1.397 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(F)C(F)(F)F)C1 ZINC001111756181 895198760 /nfs/dbraw/zinc/19/87/60/895198760.db2.gz GSCGJTIBUVUZGF-UMNHJUIQSA-N 1 2 292.276 1.491 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(F)C(F)(F)F)C1 ZINC001111756181 895198763 /nfs/dbraw/zinc/19/87/63/895198763.db2.gz GSCGJTIBUVUZGF-UMNHJUIQSA-N 1 2 292.276 1.491 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001207082519 895496690 /nfs/dbraw/zinc/49/66/90/895496690.db2.gz MWTWLZGXYWUOAG-ZDUSSCGKSA-N 1 2 290.367 1.662 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cnc(C)cn2)C1 ZINC001207082519 895496695 /nfs/dbraw/zinc/49/66/95/895496695.db2.gz MWTWLZGXYWUOAG-ZDUSSCGKSA-N 1 2 290.367 1.662 20 30 CDEDLO C[N@H+](CCNC(=O)CCCF)Cc1ccc(C#N)cc1F ZINC001480900598 896322795 /nfs/dbraw/zinc/32/27/95/896322795.db2.gz TWEPGFOKTWRFOH-UHFFFAOYSA-N 1 2 295.333 1.995 20 30 CDEDLO C[N@@H+](CCNC(=O)CCCF)Cc1ccc(C#N)cc1F ZINC001480900598 896322808 /nfs/dbraw/zinc/32/28/08/896322808.db2.gz TWEPGFOKTWRFOH-UHFFFAOYSA-N 1 2 295.333 1.995 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001007317407 898596800 /nfs/dbraw/zinc/59/68/00/898596800.db2.gz WQJAOIHMMSTIRK-CYBMUJFWSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001007317407 898596809 /nfs/dbraw/zinc/59/68/09/898596809.db2.gz WQJAOIHMMSTIRK-CYBMUJFWSA-N 1 2 296.802 1.296 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccoc2CCC)C1 ZINC001031255236 914294994 /nfs/dbraw/zinc/29/49/94/914294994.db2.gz AXOQITPSCVTWEF-UHFFFAOYSA-N 1 2 260.337 1.669 20 30 CDEDLO CC(C)c1noc([C@H](C)[NH2+]CCN(C)C(=O)[C@H](C)C#N)n1 ZINC001481215939 899401905 /nfs/dbraw/zinc/40/19/05/899401905.db2.gz PRHJLZJBCHNJCS-MNOVXSKESA-N 1 2 293.371 1.462 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccnn2)[C@H]1C ZINC000994075266 914420153 /nfs/dbraw/zinc/42/01/53/914420153.db2.gz XNUAPTIGRXPGHR-NEPJUHHUSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccnn2)[C@H]1C ZINC000994075266 914420164 /nfs/dbraw/zinc/42/01/64/914420164.db2.gz XNUAPTIGRXPGHR-NEPJUHHUSA-N 1 2 294.786 1.812 20 30 CDEDLO Cc1cccc(C[NH+]2CC(NC(=O)[C@@H](C)C#N)C2)c1 ZINC001481550200 901193043 /nfs/dbraw/zinc/19/30/43/901193043.db2.gz MKBKEWOMMJAITM-LBPRGKRZSA-N 1 2 257.337 1.455 20 30 CDEDLO C#CCCCC(=O)NCC[NH2+][C@@H](C)c1nc(C2CC2)no1 ZINC001126355767 902236845 /nfs/dbraw/zinc/23/68/45/902236845.db2.gz HKRRSSDZQKVGOI-NSHDSACASA-N 1 2 290.367 1.517 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C=C(C)C)C1 ZINC001107709379 918660375 /nfs/dbraw/zinc/66/03/75/918660375.db2.gz DKMNZLXFMCIBHK-CQSZACIVSA-N 1 2 252.358 1.346 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C=C(C)C)C1 ZINC001107709379 918660387 /nfs/dbraw/zinc/66/03/87/918660387.db2.gz DKMNZLXFMCIBHK-CQSZACIVSA-N 1 2 252.358 1.346 20 30 CDEDLO C#Cc1ccc(C(=O)N(C(N)=[NH2+])c2cc(C)[nH]n2)cc1 ZINC001188749499 921180240 /nfs/dbraw/zinc/18/02/40/921180240.db2.gz COFPUUUXAQRZKG-UHFFFAOYSA-N 1 2 267.292 1.240 20 30 CDEDLO CCC[N@@H+]1CCn2ncc(CNC(=O)C#CC(C)C)c2C1 ZINC001128347094 921277076 /nfs/dbraw/zinc/27/70/76/921277076.db2.gz KAPUXKCFCZMABQ-UHFFFAOYSA-N 1 2 288.395 1.384 20 30 CDEDLO CCC[N@H+]1CCn2ncc(CNC(=O)C#CC(C)C)c2C1 ZINC001128347094 921277080 /nfs/dbraw/zinc/27/70/80/921277080.db2.gz KAPUXKCFCZMABQ-UHFFFAOYSA-N 1 2 288.395 1.384 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC001044014100 921295863 /nfs/dbraw/zinc/29/58/63/921295863.db2.gz IJNJTXPRKRBQAV-UHFFFAOYSA-N 1 2 288.351 1.002 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nccc(C)n2)[C@H]1C ZINC001088543492 907640165 /nfs/dbraw/zinc/64/01/65/907640165.db2.gz GCAUQDOXPBQUOE-NEPJUHHUSA-N 1 2 294.786 1.730 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nccc(C)n2)[C@H]1C ZINC001088543492 907640177 /nfs/dbraw/zinc/64/01/77/907640177.db2.gz GCAUQDOXPBQUOE-NEPJUHHUSA-N 1 2 294.786 1.730 20 30 CDEDLO C[N@@H+]1CCC12CN(C(=O)C#Cc1ccc(Cl)cc1)C2 ZINC001272064699 907912410 /nfs/dbraw/zinc/91/24/10/907912410.db2.gz IAJRSBUBOXLVDN-UHFFFAOYSA-N 1 2 274.751 1.608 20 30 CDEDLO C[N@H+]1CCC12CN(C(=O)C#Cc1ccc(Cl)cc1)C2 ZINC001272064699 907912424 /nfs/dbraw/zinc/91/24/24/907912424.db2.gz IAJRSBUBOXLVDN-UHFFFAOYSA-N 1 2 274.751 1.608 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2cccc(C#N)c2[N+](=O)[O-])C1 ZINC001229599957 908220987 /nfs/dbraw/zinc/22/09/87/908220987.db2.gz KRTHDYCAZBFGFI-NSHDSACASA-N 1 2 277.280 1.176 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2cccc(C#N)c2[N+](=O)[O-])C1 ZINC001229599957 908221000 /nfs/dbraw/zinc/22/10/00/908221000.db2.gz KRTHDYCAZBFGFI-NSHDSACASA-N 1 2 277.280 1.176 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)Cc2snnc2C)C1 ZINC001189318821 921427687 /nfs/dbraw/zinc/42/76/87/921427687.db2.gz QJRDRZKKBHPJJD-LBPRGKRZSA-N 1 2 294.424 1.845 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2snnc2C)C1 ZINC001189318821 921427696 /nfs/dbraw/zinc/42/76/96/921427696.db2.gz QJRDRZKKBHPJJD-LBPRGKRZSA-N 1 2 294.424 1.845 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[C@@H]1C)c1nccn12 ZINC001092388565 909386027 /nfs/dbraw/zinc/38/60/27/909386027.db2.gz IXZVYOKYTCKRDL-RWMBFGLXSA-N 1 2 286.379 1.297 20 30 CDEDLO N#CCc1ccc[nH+]c1NCc1ccccc1-n1cnnn1 ZINC001171416339 909872025 /nfs/dbraw/zinc/87/20/25/909872025.db2.gz WCHJZCRAVZRZIR-UHFFFAOYSA-N 1 2 291.318 1.735 20 30 CDEDLO C=C(C)CCC(=O)NCCNc1[nH+]cnc2c1cnn2C ZINC001093906161 910218303 /nfs/dbraw/zinc/21/83/03/910218303.db2.gz OEENGSQDQVWHBL-UHFFFAOYSA-N 1 2 288.355 1.248 20 30 CDEDLO C#Cc1cncc(C(=O)NCCNc2cc[nH+]c(C)n2)c1 ZINC001094126700 910353130 /nfs/dbraw/zinc/35/31/30/910353130.db2.gz TYYHSWLVRKSDJZ-UHFFFAOYSA-N 1 2 281.319 1.003 20 30 CDEDLO Cc1cc(NCCCNC(=O)[C@@H](C)C#N)nc(C2CC2)[nH+]1 ZINC001094341911 910519447 /nfs/dbraw/zinc/51/94/47/910519447.db2.gz IYRSBFCHJCIQGW-JTQLQIEISA-N 1 2 287.367 1.740 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC001172915601 912056908 /nfs/dbraw/zinc/05/69/08/912056908.db2.gz FJYRUWKECPBZMN-AXFHLTTASA-N 1 2 261.387 1.395 20 30 CDEDLO C=C(C)CCNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000922705092 921758763 /nfs/dbraw/zinc/75/87/63/921758763.db2.gz HEFRUDVYIWJGOQ-ZDUSSCGKSA-N 1 2 269.389 1.363 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)[C@@H](O)C1 ZINC001083832957 921803457 /nfs/dbraw/zinc/80/34/57/921803457.db2.gz CAEIUNNCBAPIQM-LOUJCGABSA-N 1 2 292.423 1.243 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)[C@@H](O)C1 ZINC001083832957 921803468 /nfs/dbraw/zinc/80/34/68/921803468.db2.gz CAEIUNNCBAPIQM-LOUJCGABSA-N 1 2 292.423 1.243 20 30 CDEDLO COc1ccc(C(N)=[NH+]OC[C@@H](C)OC)cc1OC ZINC000181580104 916392616 /nfs/dbraw/zinc/39/26/16/916392616.db2.gz ZBCQRZNBTZSQSL-SECBINFHSA-N 1 2 268.313 1.376 20 30 CDEDLO Cc1nc(N[C@@H](C)CNC(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001097804186 936384976 /nfs/dbraw/zinc/38/49/76/936384976.db2.gz TVPYVUATUDLABW-NSHDSACASA-N 1 2 274.368 1.751 20 30 CDEDLO COCC[NH+](CCOC)Cc1ccc(OC)cc1C#N ZINC001137698485 936391044 /nfs/dbraw/zinc/39/10/44/936391044.db2.gz ZEWAHHICNPPHLC-UHFFFAOYSA-N 1 2 278.352 1.662 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)CC1(C#N)CCCCC1 ZINC001181389699 917061404 /nfs/dbraw/zinc/06/14/04/917061404.db2.gz JYKKHYHVLPNHTL-UHFFFAOYSA-N 1 2 274.368 1.943 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CO[C@@H](C)C3)cc2C1 ZINC001054271407 936434087 /nfs/dbraw/zinc/43/40/87/936434087.db2.gz NLYQWNNRAVIHSP-SUMWQHHRSA-N 1 2 298.386 1.677 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CO[C@@H](C)C3)cc2C1 ZINC001054271407 936434090 /nfs/dbraw/zinc/43/40/90/936434090.db2.gz NLYQWNNRAVIHSP-SUMWQHHRSA-N 1 2 298.386 1.677 20 30 CDEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)/C(C)=C\C)nn2)C1 ZINC001107155628 918217446 /nfs/dbraw/zinc/21/74/46/918217446.db2.gz HHLRPBXLIBQEFD-XGICHPGQSA-N 1 2 289.383 1.293 20 30 CDEDLO Cc1nc(NC/C=C/CNC(=O)C#CC(C)C)cc[nH+]1 ZINC001107160180 918222104 /nfs/dbraw/zinc/22/21/04/918222104.db2.gz QJROARYMGLZHTO-SNAWJCMRSA-N 1 2 272.352 1.529 20 30 CDEDLO Cn1c[nH+]c(CCNC(=O)C2(c3ccccc3C#N)CC2)c1 ZINC001183292534 918424234 /nfs/dbraw/zinc/42/42/34/918424234.db2.gz ACHMXEFEPDQWFA-UHFFFAOYSA-N 1 2 294.358 1.682 20 30 CDEDLO CC(=O)NC[C@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107663742 918565064 /nfs/dbraw/zinc/56/50/64/918565064.db2.gz BLBJVKMCMSCKEJ-MRXNPFEDSA-N 1 2 287.363 1.285 20 30 CDEDLO CC(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107663742 918565082 /nfs/dbraw/zinc/56/50/82/918565082.db2.gz BLBJVKMCMSCKEJ-MRXNPFEDSA-N 1 2 287.363 1.285 20 30 CDEDLO CCOC(=O)[C@@H]([NH3+])Cc1cn([C@@H](CC)CC#N)cn1 ZINC001255163879 936515123 /nfs/dbraw/zinc/51/51/23/936515123.db2.gz FHAOHFYAQABRNS-RYUDHWBXSA-N 1 2 264.329 1.181 20 30 CDEDLO N#C[C@@H](Cc1ccc(O)cc1)C(=O)NCCn1cc[nH+]c1 ZINC001183603849 918572726 /nfs/dbraw/zinc/57/27/26/918572726.db2.gz PFAQMGLWRIUENN-CYBMUJFWSA-N 1 2 284.319 1.087 20 30 CDEDLO CC(=O)/C=C(/C)NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183751096 918683213 /nfs/dbraw/zinc/68/32/13/918683213.db2.gz CFIISORKIJDFLN-WQTVUKCASA-N 1 2 272.348 1.870 20 30 CDEDLO CC(=O)/C=C(/C)NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001183751096 918683227 /nfs/dbraw/zinc/68/32/27/918683227.db2.gz CFIISORKIJDFLN-WQTVUKCASA-N 1 2 272.348 1.870 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)CCCC(C)=O)C1 ZINC001107734334 918705931 /nfs/dbraw/zinc/70/59/31/918705931.db2.gz BNQGRFTVELNUEX-MRXNPFEDSA-N 1 2 296.411 1.529 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)CCCC(C)=O)C1 ZINC001107734334 918705939 /nfs/dbraw/zinc/70/59/39/918705939.db2.gz BNQGRFTVELNUEX-MRXNPFEDSA-N 1 2 296.411 1.529 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)OCC(C)C)C1 ZINC001107783500 918773642 /nfs/dbraw/zinc/77/36/42/918773642.db2.gz IZMZHMFUXUICOT-GOEBONIOSA-N 1 2 298.427 1.441 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)OCC(C)C)C1 ZINC001107783500 918773647 /nfs/dbraw/zinc/77/36/47/918773647.db2.gz IZMZHMFUXUICOT-GOEBONIOSA-N 1 2 298.427 1.441 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)/C=C/C(C)(C)C)C1 ZINC001107819379 918826948 /nfs/dbraw/zinc/82/69/48/918826948.db2.gz ONANLGXXGIMKJY-WAVCKPEOSA-N 1 2 280.412 1.982 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)/C=C/C(C)(C)C)C1 ZINC001107819379 918826965 /nfs/dbraw/zinc/82/69/65/918826965.db2.gz ONANLGXXGIMKJY-WAVCKPEOSA-N 1 2 280.412 1.982 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc[nH]c2C)C1 ZINC001107856974 918896895 /nfs/dbraw/zinc/89/68/95/918896895.db2.gz JSANZZSGYDKPPZ-HNNXBMFYSA-N 1 2 277.368 1.330 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc[nH]c2C)C1 ZINC001107856974 918896919 /nfs/dbraw/zinc/89/69/19/918896919.db2.gz JSANZZSGYDKPPZ-HNNXBMFYSA-N 1 2 277.368 1.330 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCC[C@H]2CO)CC1 ZINC001184170683 918900466 /nfs/dbraw/zinc/90/04/66/918900466.db2.gz XXAZNJVNWLIIPB-UONOGXRCSA-N 1 2 266.385 1.115 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC(OCC)C1 ZINC001032389618 918952742 /nfs/dbraw/zinc/95/27/42/918952742.db2.gz XEOMWVVIZUMVOR-GQKFXUNGSA-N 1 2 276.380 1.110 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC(OCC)C1 ZINC001032389618 918952754 /nfs/dbraw/zinc/95/27/54/918952754.db2.gz XEOMWVVIZUMVOR-GQKFXUNGSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCOC[C@@H]2COC)cc1 ZINC001138560299 936546507 /nfs/dbraw/zinc/54/65/07/936546507.db2.gz QBKIHWQJLKZGSZ-HNNXBMFYSA-N 1 2 275.348 1.546 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCOC[C@@H]2COC)cc1 ZINC001138560299 936546510 /nfs/dbraw/zinc/54/65/10/936546510.db2.gz QBKIHWQJLKZGSZ-HNNXBMFYSA-N 1 2 275.348 1.546 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2ccoc2)C1 ZINC001107890419 919001963 /nfs/dbraw/zinc/00/19/63/919001963.db2.gz NJIXNLTVSJTDBJ-OAHLLOKOSA-N 1 2 278.352 1.215 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2ccoc2)C1 ZINC001107890419 919001979 /nfs/dbraw/zinc/00/19/79/919001979.db2.gz NJIXNLTVSJTDBJ-OAHLLOKOSA-N 1 2 278.352 1.215 20 30 CDEDLO C=CCc1cccc(C[N@H+]2C[C@@H](F)C[C@H]2C(N)=O)c1O ZINC001138628441 936552662 /nfs/dbraw/zinc/55/26/62/936552662.db2.gz UTUNXGCPXURHCH-STQMWFEESA-N 1 2 278.327 1.518 20 30 CDEDLO C=CCc1cccc(C[N@@H+]2C[C@@H](F)C[C@H]2C(N)=O)c1O ZINC001138628441 936552663 /nfs/dbraw/zinc/55/26/63/936552663.db2.gz UTUNXGCPXURHCH-STQMWFEESA-N 1 2 278.327 1.518 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001032413742 919074439 /nfs/dbraw/zinc/07/44/39/919074439.db2.gz ZQWHANRBCGFYJE-IHRRRGAJSA-N 1 2 298.390 1.312 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001032413742 919074451 /nfs/dbraw/zinc/07/44/51/919074451.db2.gz ZQWHANRBCGFYJE-IHRRRGAJSA-N 1 2 298.390 1.312 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCOCC2CC2)C1 ZINC001107941731 919098728 /nfs/dbraw/zinc/09/87/28/919098728.db2.gz MAODPGYFAAIKHA-MRXNPFEDSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCOCC2CC2)C1 ZINC001107941731 919098740 /nfs/dbraw/zinc/09/87/40/919098740.db2.gz MAODPGYFAAIKHA-MRXNPFEDSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccon1 ZINC001272756679 919109039 /nfs/dbraw/zinc/10/90/39/919109039.db2.gz GRNCNWRIRHSYLL-HNNXBMFYSA-N 1 2 275.352 1.818 20 30 CDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccon1 ZINC001272756679 919109045 /nfs/dbraw/zinc/10/90/45/919109045.db2.gz GRNCNWRIRHSYLL-HNNXBMFYSA-N 1 2 275.352 1.818 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1occ2c1CCC2 ZINC001032540495 919361223 /nfs/dbraw/zinc/36/12/23/919361223.db2.gz AXVVBOCQWPTFHV-STQMWFEESA-N 1 2 272.348 1.853 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1occ2c1CCC2 ZINC001032540495 919361254 /nfs/dbraw/zinc/36/12/54/919361254.db2.gz AXVVBOCQWPTFHV-STQMWFEESA-N 1 2 272.348 1.853 20 30 CDEDLO C=CCCCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nnc(C)o2)C1 ZINC001185314084 919534339 /nfs/dbraw/zinc/53/43/39/919534339.db2.gz UIGMCOMBVPVAGX-WCQYABFASA-N 1 2 292.383 1.986 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)c1cccnc1 ZINC001032662248 919691907 /nfs/dbraw/zinc/69/19/07/919691907.db2.gz JIQJABGQYVNPMD-KBMXLJTQSA-N 1 2 283.375 1.494 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)c1cccnc1 ZINC001032662248 919691913 /nfs/dbraw/zinc/69/19/13/919691913.db2.gz JIQJABGQYVNPMD-KBMXLJTQSA-N 1 2 283.375 1.494 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001032742932 919882682 /nfs/dbraw/zinc/88/26/82/919882682.db2.gz WEPIRKSVLVLTFK-LUKYLMHMSA-N 1 2 280.371 1.708 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001032742932 919882692 /nfs/dbraw/zinc/88/26/92/919882692.db2.gz WEPIRKSVLVLTFK-LUKYLMHMSA-N 1 2 280.371 1.708 20 30 CDEDLO C[C@H]1C[NH+](C2CN(Cc3ccc(C#N)nc3)C2)C[C@H](C)O1 ZINC001140547422 936724013 /nfs/dbraw/zinc/72/40/13/936724013.db2.gz SDRVIIXTKDNPOS-STQMWFEESA-N 1 2 286.379 1.247 20 30 CDEDLO C=C1CC(C)(C(=O)N2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)C1 ZINC001273135718 922641122 /nfs/dbraw/zinc/64/11/22/922641122.db2.gz OQROWKDPGNIAGY-UHFFFAOYSA-N 1 2 286.379 1.410 20 30 CDEDLO C=C/C(C)=C/CC(=O)NC[C@]1(C)C[N@H+](CC#CC)CCO1 ZINC001108137239 922726692 /nfs/dbraw/zinc/72/66/92/922726692.db2.gz YHBHNZPRHLSBQD-YBYKNVHQSA-N 1 2 290.407 1.739 20 30 CDEDLO C=C/C(C)=C/CC(=O)NC[C@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001108137239 922726709 /nfs/dbraw/zinc/72/67/09/922726709.db2.gz YHBHNZPRHLSBQD-YBYKNVHQSA-N 1 2 290.407 1.739 20 30 CDEDLO C=CCO[C@H](C)C(=O)NCC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001099248531 936783947 /nfs/dbraw/zinc/78/39/47/936783947.db2.gz QIJYCOTXPGCAKU-NWDGAFQWSA-N 1 2 292.383 1.683 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)sn2)C1 ZINC001035349217 922971297 /nfs/dbraw/zinc/97/12/97/922971297.db2.gz GAOKJHDHEJEAIG-GFCCVEGCSA-N 1 2 295.408 1.458 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(C)sn2)C1 ZINC001035349217 922971306 /nfs/dbraw/zinc/97/13/06/922971306.db2.gz GAOKJHDHEJEAIG-GFCCVEGCSA-N 1 2 295.408 1.458 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC23CCCC3)C1 ZINC001035563785 923008344 /nfs/dbraw/zinc/00/83/44/923008344.db2.gz LBJUZRDRVODMHX-LSDHHAIUSA-N 1 2 292.423 1.960 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC23CCCC3)C1 ZINC001035563785 923008354 /nfs/dbraw/zinc/00/83/54/923008354.db2.gz LBJUZRDRVODMHX-LSDHHAIUSA-N 1 2 292.423 1.960 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(CC)on2)C1 ZINC001035581115 923010064 /nfs/dbraw/zinc/01/00/64/923010064.db2.gz VCXKBXNPVLPABP-ZDUSSCGKSA-N 1 2 293.367 1.244 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(CC)on2)C1 ZINC001035581115 923010080 /nfs/dbraw/zinc/01/00/80/923010080.db2.gz VCXKBXNPVLPABP-ZDUSSCGKSA-N 1 2 293.367 1.244 20 30 CDEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCOC1)CC2 ZINC001035663663 923024192 /nfs/dbraw/zinc/02/41/92/923024192.db2.gz NHRCAIAXHYKHPR-CYBMUJFWSA-N 1 2 298.814 1.700 20 30 CDEDLO N#Cc1cc(C(=O)NC2CC[NH+](CCF)CC2)ccc1O ZINC001193515615 923764476 /nfs/dbraw/zinc/76/44/76/923764476.db2.gz PVEAJTONNDTMIH-UHFFFAOYSA-N 1 2 291.326 1.428 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)CC(C)(C)O ZINC001491207231 936875841 /nfs/dbraw/zinc/87/58/41/936875841.db2.gz XQEVPWOBLMVKFW-LBPRGKRZSA-N 1 2 288.819 1.871 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)CC(C)(C)O ZINC001491207231 936875844 /nfs/dbraw/zinc/87/58/44/936875844.db2.gz XQEVPWOBLMVKFW-LBPRGKRZSA-N 1 2 288.819 1.871 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC001079480142 924333641 /nfs/dbraw/zinc/33/36/41/924333641.db2.gz GFDNRJLUMDHOCF-RAIGVLPGSA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC001079480142 924333645 /nfs/dbraw/zinc/33/36/45/924333645.db2.gz GFDNRJLUMDHOCF-RAIGVLPGSA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC001079498996 924335587 /nfs/dbraw/zinc/33/55/87/924335587.db2.gz UZWHADAYHVBHIC-PRHODGIISA-N 1 2 296.802 1.829 20 30 CDEDLO C[NH+]1CC(NC(=O)c2ccc(C#CBr)cc2)C1 ZINC001194817064 924356122 /nfs/dbraw/zinc/35/61/22/924356122.db2.gz DAGOBKMHYWYPRM-UHFFFAOYSA-N 1 2 293.164 1.434 20 30 CDEDLO COCC#CC[N@@H+]1CCCN(C(=O)CSC(C)C)CC1 ZINC001194897084 924384394 /nfs/dbraw/zinc/38/43/94/924384394.db2.gz FILKYKJRXIJOJB-UHFFFAOYSA-N 1 2 298.452 1.312 20 30 CDEDLO COCC#CC[N@H+]1CCCN(C(=O)CSC(C)C)CC1 ZINC001194897084 924384403 /nfs/dbraw/zinc/38/44/03/924384403.db2.gz FILKYKJRXIJOJB-UHFFFAOYSA-N 1 2 298.452 1.312 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]c(=O)cc2Cl)CC1 ZINC001195001525 924430803 /nfs/dbraw/zinc/43/08/03/924430803.db2.gz QEPGOMNFMSKYAY-UHFFFAOYSA-N 1 2 281.743 1.384 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c(C)ncn2C)C1 ZINC001079900690 924443139 /nfs/dbraw/zinc/44/31/39/924443139.db2.gz RNCXPKPJFVRDHQ-BXKDBHETSA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c(C)ncn2C)C1 ZINC001079900690 924443145 /nfs/dbraw/zinc/44/31/45/924443145.db2.gz RNCXPKPJFVRDHQ-BXKDBHETSA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c(C)n[nH]c2C)C1 ZINC001080632408 924606428 /nfs/dbraw/zinc/60/64/28/924606428.db2.gz HUFKXJCTSGIQPE-PRHODGIISA-N 1 2 296.802 1.829 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c(C)n[nH]c2C)C1 ZINC001080632408 924606432 /nfs/dbraw/zinc/60/64/32/924606432.db2.gz HUFKXJCTSGIQPE-PRHODGIISA-N 1 2 296.802 1.829 20 30 CDEDLO COCCn1c[nH+]cc1CNC(=O)c1cc(C)cc(C#N)c1 ZINC001195437466 924613514 /nfs/dbraw/zinc/61/35/14/924613514.db2.gz QNXOKNLMJVWDDE-UHFFFAOYSA-N 1 2 298.346 1.640 20 30 CDEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001195566768 924665969 /nfs/dbraw/zinc/66/59/69/924665969.db2.gz CLYUVTIQEAQXBJ-QUFGHOJKSA-N 1 2 286.803 1.503 20 30 CDEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001195566768 924665976 /nfs/dbraw/zinc/66/59/76/924665976.db2.gz CLYUVTIQEAQXBJ-QUFGHOJKSA-N 1 2 286.803 1.503 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@H]1O ZINC001195716863 924698254 /nfs/dbraw/zinc/69/82/54/924698254.db2.gz BHZCFZKMACBGEN-ZIAGYGMSSA-N 1 2 293.367 1.001 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@H]1O ZINC001195716863 924698263 /nfs/dbraw/zinc/69/82/63/924698263.db2.gz BHZCFZKMACBGEN-ZIAGYGMSSA-N 1 2 293.367 1.001 20 30 CDEDLO Cc1cc(C[N@H+]2CCCN(C(=O)C#CC(C)C)CC2)on1 ZINC001195746778 924723523 /nfs/dbraw/zinc/72/35/23/924723523.db2.gz HBSBITSNRNUHFL-UHFFFAOYSA-N 1 2 289.379 1.677 20 30 CDEDLO Cc1cc(C[N@@H+]2CCCN(C(=O)C#CC(C)C)CC2)on1 ZINC001195746778 924723529 /nfs/dbraw/zinc/72/35/29/924723529.db2.gz HBSBITSNRNUHFL-UHFFFAOYSA-N 1 2 289.379 1.677 20 30 CDEDLO C#CCN1CC[NH+](Cc2ccc(COC(C)=O)o2)CC1 ZINC001141793010 936941526 /nfs/dbraw/zinc/94/15/26/936941526.db2.gz ZIBAPHVBEPDNBV-UHFFFAOYSA-N 1 2 276.336 1.094 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(COC(C)=O)o2)CC1 ZINC001141793010 936941528 /nfs/dbraw/zinc/94/15/28/936941528.db2.gz ZIBAPHVBEPDNBV-UHFFFAOYSA-N 1 2 276.336 1.094 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)C2(C)CCC2)CC1 ZINC001196762072 924973487 /nfs/dbraw/zinc/97/34/87/924973487.db2.gz GTEBSJDQCGUNQO-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(C)CCC2)CC1 ZINC001196762072 924973492 /nfs/dbraw/zinc/97/34/92/924973492.db2.gz GTEBSJDQCGUNQO-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO N#Cc1cnc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cn1 ZINC001199666449 925800658 /nfs/dbraw/zinc/80/06/58/925800658.db2.gz WLQOWTCTRXBRDS-UHFFFAOYSA-N 1 2 282.307 1.022 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1occc1C ZINC001085487451 926054075 /nfs/dbraw/zinc/05/40/75/926054075.db2.gz ZTAHUORLFBAPBH-CYBMUJFWSA-N 1 2 260.337 1.758 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1occc1C ZINC001085487451 926054086 /nfs/dbraw/zinc/05/40/86/926054086.db2.gz ZTAHUORLFBAPBH-CYBMUJFWSA-N 1 2 260.337 1.758 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2n[nH]nc21 ZINC001085614222 926213887 /nfs/dbraw/zinc/21/38/87/926213887.db2.gz IYOMLDNOIDCQEG-GFCCVEGCSA-N 1 2 297.362 1.128 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2n[nH]nc21 ZINC001085614222 926213896 /nfs/dbraw/zinc/21/38/96/926213896.db2.gz IYOMLDNOIDCQEG-GFCCVEGCSA-N 1 2 297.362 1.128 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1OCCc2ccccc21 ZINC001085756223 926363788 /nfs/dbraw/zinc/36/37/88/926363788.db2.gz CPYGVRBLANBNTO-NVXWUHKLSA-N 1 2 298.386 1.466 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1OCCc2ccccc21 ZINC001085756223 926363796 /nfs/dbraw/zinc/36/37/96/926363796.db2.gz CPYGVRBLANBNTO-NVXWUHKLSA-N 1 2 298.386 1.466 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ocnc1C1CC1 ZINC001085816412 926421246 /nfs/dbraw/zinc/42/12/46/926421246.db2.gz WEOASGHILLFTJT-CYBMUJFWSA-N 1 2 287.363 1.722 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ocnc1C1CC1 ZINC001085816412 926421248 /nfs/dbraw/zinc/42/12/48/926421248.db2.gz WEOASGHILLFTJT-CYBMUJFWSA-N 1 2 287.363 1.722 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(C)C)no1 ZINC001085853902 926456938 /nfs/dbraw/zinc/45/69/38/926456938.db2.gz KMJPLCRUJCSSCN-GFCCVEGCSA-N 1 2 275.352 1.578 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(C)C)no1 ZINC001085853902 926456944 /nfs/dbraw/zinc/45/69/44/926456944.db2.gz KMJPLCRUJCSSCN-GFCCVEGCSA-N 1 2 275.352 1.578 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnoc1C1CC1 ZINC001085901674 926489022 /nfs/dbraw/zinc/48/90/22/926489022.db2.gz KKBXWNBUJZQATF-LBPRGKRZSA-N 1 2 273.336 1.332 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnoc1C1CC1 ZINC001085901674 926489029 /nfs/dbraw/zinc/48/90/29/926489029.db2.gz KKBXWNBUJZQATF-LBPRGKRZSA-N 1 2 273.336 1.332 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1oncc1C ZINC001085905795 926494552 /nfs/dbraw/zinc/49/45/52/926494552.db2.gz QCWHBDDARIXJFB-GFCCVEGCSA-N 1 2 261.325 1.153 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1oncc1C ZINC001085905795 926494554 /nfs/dbraw/zinc/49/45/54/926494554.db2.gz QCWHBDDARIXJFB-GFCCVEGCSA-N 1 2 261.325 1.153 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(Cl)no1 ZINC001085935141 926521560 /nfs/dbraw/zinc/52/15/60/926521560.db2.gz XEJRNXDZSXDVFO-VIFPVBQESA-N 1 2 267.716 1.108 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(Cl)no1 ZINC001085935141 926521565 /nfs/dbraw/zinc/52/15/65/926521565.db2.gz XEJRNXDZSXDVFO-VIFPVBQESA-N 1 2 267.716 1.108 20 30 CDEDLO C=CCOCC(=O)NC[C@H](CC)Nc1cc[nH+]c(C)n1 ZINC001102990696 937107451 /nfs/dbraw/zinc/10/74/51/937107451.db2.gz UEATXYYQFHYBGG-LBPRGKRZSA-N 1 2 278.356 1.294 20 30 CDEDLO Cc1cc(N2CC[NH2+]C[C@@H]2C#N)nc(-c2cccs2)n1 ZINC001156332704 928121902 /nfs/dbraw/zinc/12/19/02/928121902.db2.gz MOOORESWCVVNHX-NSHDSACASA-N 1 2 285.376 1.815 20 30 CDEDLO C=CCn1nnnc1SCc1cc[nH+]c(N(C)C)c1 ZINC000782113214 937240418 /nfs/dbraw/zinc/24/04/18/937240418.db2.gz XZJGGAFIAHHJTG-UHFFFAOYSA-N 1 2 276.369 1.612 20 30 CDEDLO C#CCNC(=S)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000782890816 937261934 /nfs/dbraw/zinc/26/19/34/937261934.db2.gz LUHNIXZCMHCVFU-UHFFFAOYSA-N 1 2 290.436 1.883 20 30 CDEDLO Cc1nc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C2)oc1C ZINC001206639586 937277182 /nfs/dbraw/zinc/27/71/82/937277182.db2.gz ACHBLJIPMZTMRI-OPQQBVKSSA-N 1 2 290.367 1.388 20 30 CDEDLO Cc1nc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C2)oc1C ZINC001206639586 937277185 /nfs/dbraw/zinc/27/71/85/937277185.db2.gz ACHBLJIPMZTMRI-OPQQBVKSSA-N 1 2 290.367 1.388 20 30 CDEDLO Cn1nccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109251646 928857212 /nfs/dbraw/zinc/85/72/12/928857212.db2.gz DUAUHXVAWTZHIL-KBMXLJTQSA-N 1 2 298.390 1.055 20 30 CDEDLO Cn1nccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109251646 928857224 /nfs/dbraw/zinc/85/72/24/928857224.db2.gz DUAUHXVAWTZHIL-KBMXLJTQSA-N 1 2 298.390 1.055 20 30 CDEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001109257623 928861056 /nfs/dbraw/zinc/86/10/56/928861056.db2.gz FQVDSDGVYUSBHJ-AGIUHOORSA-N 1 2 250.317 1.091 20 30 CDEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001109257623 928861065 /nfs/dbraw/zinc/86/10/65/928861065.db2.gz FQVDSDGVYUSBHJ-AGIUHOORSA-N 1 2 250.317 1.091 20 30 CDEDLO Cc1nc(N2CC[C@](C)(NC(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001110748340 928865884 /nfs/dbraw/zinc/86/58/84/928865884.db2.gz ZHAKWIDWTLPOLS-INIZCTEOSA-N 1 2 286.379 1.529 20 30 CDEDLO C=CCOCC(=O)N1CC[NH+](Cc2csc(C)c2)CC1 ZINC001112708477 929341738 /nfs/dbraw/zinc/34/17/38/929341738.db2.gz JAEZKOHRQOMURA-UHFFFAOYSA-N 1 2 294.420 1.903 20 30 CDEDLO C=C[C@H]1C[C@@]1(NC(=O)c1cc2c[nH+]ccc2[nH]1)C(=O)OCC ZINC001151976907 937324254 /nfs/dbraw/zinc/32/42/54/937324254.db2.gz WJENDUMOYPAMHW-ZBEGNZNMSA-N 1 2 299.330 1.801 20 30 CDEDLO CN(C)c1cc(F)c(C=[NH+]N[C@@H]2CCOC2)cc1F ZINC000863110177 929505116 /nfs/dbraw/zinc/50/51/16/929505116.db2.gz KPMHVBWVNBLFBK-SNVBAGLBSA-N 1 2 269.295 1.743 20 30 CDEDLO CC#CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001152689386 937381371 /nfs/dbraw/zinc/38/13/71/937381371.db2.gz MJXPBWARZVXXJA-UHFFFAOYSA-N 1 2 298.302 1.924 20 30 CDEDLO C=CC[N@@H+](CC)[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001153476956 937447815 /nfs/dbraw/zinc/44/78/15/937447815.db2.gz BFLCWEHUEKQRIX-BDAKNGLRSA-N 1 2 270.270 1.899 20 30 CDEDLO C=CC[N@H+](CC)[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001153476956 937447817 /nfs/dbraw/zinc/44/78/17/937447817.db2.gz BFLCWEHUEKQRIX-BDAKNGLRSA-N 1 2 270.270 1.899 20 30 CDEDLO C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](F)C(F)(F)F ZINC001153476956 937447819 /nfs/dbraw/zinc/44/78/19/937447819.db2.gz BFLCWEHUEKQRIX-BDAKNGLRSA-N 1 2 270.270 1.899 20 30 CDEDLO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](F)C(F)(F)F ZINC001153476956 937447821 /nfs/dbraw/zinc/44/78/21/937447821.db2.gz BFLCWEHUEKQRIX-BDAKNGLRSA-N 1 2 270.270 1.899 20 30 CDEDLO C=CCC[C@H](O)C[NH2+][C@@H](C[C@@H]1CCCO1)C(=O)OC ZINC000886951119 930997468 /nfs/dbraw/zinc/99/74/68/930997468.db2.gz XEOKEQKWPXEYCS-AVGNSLFASA-N 1 2 271.357 1.014 20 30 CDEDLO CCN(CC#N)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154004914 937490803 /nfs/dbraw/zinc/49/08/03/937490803.db2.gz OOUSSSFBIPXILX-LLVKDONJSA-N 1 2 285.351 1.527 20 30 CDEDLO Cc1[nH]c(CNC(=O)c2cnccc2C#N)[nH+]c1C ZINC001137260842 931400228 /nfs/dbraw/zinc/40/02/28/931400228.db2.gz ORSRFIUDASYZBZ-UHFFFAOYSA-N 1 2 255.281 1.223 20 30 CDEDLO C#CCN(C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890248130 931422594 /nfs/dbraw/zinc/42/25/94/931422594.db2.gz JVFGIYSPDMVODF-OAHLLOKOSA-N 1 2 282.347 1.899 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c(Cl)cccc2C#N)CC1 ZINC001143731252 931530753 /nfs/dbraw/zinc/53/07/53/931530753.db2.gz PWXPKGFJONPBDB-UHFFFAOYSA-N 1 2 273.767 1.962 20 30 CDEDLO C#CCNC(=O)[C@H]1CC12CCN(c1cccc[nH+]1)CC2 ZINC001274739258 931562944 /nfs/dbraw/zinc/56/29/44/931562944.db2.gz DHLGQAYRRDFWJT-CYBMUJFWSA-N 1 2 269.348 1.438 20 30 CDEDLO C=CCCCNC(=O)c1nc2c(s1)C[N@H+](C)CC2 ZINC001154223467 937519499 /nfs/dbraw/zinc/51/94/99/937519499.db2.gz UJOWPWIKKUNVDU-UHFFFAOYSA-N 1 2 265.382 1.827 20 30 CDEDLO C=CCCCNC(=O)c1nc2c(s1)C[N@@H+](C)CC2 ZINC001154223467 937519502 /nfs/dbraw/zinc/51/95/02/937519502.db2.gz UJOWPWIKKUNVDU-UHFFFAOYSA-N 1 2 265.382 1.827 20 30 CDEDLO C=C[C@H](CC)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000935107739 934029139 /nfs/dbraw/zinc/02/91/39/934029139.db2.gz PLHZDBUWFLYEOR-PWSUYJOCSA-N 1 2 279.340 1.212 20 30 CDEDLO C=C[C@H](CC)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000935107739 934029146 /nfs/dbraw/zinc/02/91/46/934029146.db2.gz PLHZDBUWFLYEOR-PWSUYJOCSA-N 1 2 279.340 1.212 20 30 CDEDLO C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)Nc1ccc(C#N)cn1 ZINC001119979479 937770244 /nfs/dbraw/zinc/77/02/44/937770244.db2.gz PGEHLJZDGIHTOJ-LLVKDONJSA-N 1 2 298.350 1.178 20 30 CDEDLO C#CCNC(=O)CC[NH2+]Cc1noc(-c2cccs2)n1 ZINC001120598891 937815663 /nfs/dbraw/zinc/81/56/63/937815663.db2.gz GRANFGUSGAREEL-UHFFFAOYSA-N 1 2 290.348 1.027 20 30 CDEDLO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001017932384 935655116 /nfs/dbraw/zinc/65/51/16/935655116.db2.gz GWXPJNIMHYYDJG-XQQFMLRXSA-N 1 2 299.378 1.028 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2oc(C)nc2c1 ZINC001038384162 935743562 /nfs/dbraw/zinc/74/35/62/935743562.db2.gz BTCONNDNKAGYCJ-CYBMUJFWSA-N 1 2 283.331 1.574 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2oc(C)nc2c1 ZINC001038384162 935743565 /nfs/dbraw/zinc/74/35/65/935743565.db2.gz BTCONNDNKAGYCJ-CYBMUJFWSA-N 1 2 283.331 1.574 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1COC ZINC001038457853 935746560 /nfs/dbraw/zinc/74/65/60/935746560.db2.gz GPJFSUNRFBLUSV-HNNXBMFYSA-N 1 2 286.375 1.660 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1COC ZINC001038457853 935746562 /nfs/dbraw/zinc/74/65/62/935746562.db2.gz GPJFSUNRFBLUSV-HNNXBMFYSA-N 1 2 286.375 1.660 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2ccn(C)c2c1 ZINC001038878966 935761158 /nfs/dbraw/zinc/76/11/58/935761158.db2.gz RDWSFALQALYMRR-HNNXBMFYSA-N 1 2 281.359 1.616 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2ccn(C)c2c1 ZINC001038878966 935761162 /nfs/dbraw/zinc/76/11/62/935761162.db2.gz RDWSFALQALYMRR-HNNXBMFYSA-N 1 2 281.359 1.616 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2oc(CC)nc2C)C1 ZINC001044139483 935852494 /nfs/dbraw/zinc/85/24/94/935852494.db2.gz IMBCFFHMMNHTJL-UHFFFAOYSA-N 1 2 275.352 1.325 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncs1)C2 ZINC001096854616 936228489 /nfs/dbraw/zinc/22/84/89/936228489.db2.gz RSDRESLLWGPTRB-MXWKQRLJSA-N 1 2 261.350 1.111 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncs1)C2 ZINC001096854616 936228491 /nfs/dbraw/zinc/22/84/91/936228491.db2.gz RSDRESLLWGPTRB-MXWKQRLJSA-N 1 2 261.350 1.111 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncn1C)C2 ZINC001097453317 936304922 /nfs/dbraw/zinc/30/49/22/936304922.db2.gz VRBWUNVTZIFDQU-UTUOFQBUSA-N 1 2 294.786 1.508 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncn1C)C2 ZINC001097453317 936304926 /nfs/dbraw/zinc/30/49/26/936304926.db2.gz VRBWUNVTZIFDQU-UTUOFQBUSA-N 1 2 294.786 1.508 20 30 CDEDLO C#CC[NH2+]CC(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC001121911860 937889506 /nfs/dbraw/zinc/88/95/06/937889506.db2.gz ZCLDPXLJEHOEKM-AWEZNQCLSA-N 1 2 298.346 1.576 20 30 CDEDLO Cc1nc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C2)c(C)o1 ZINC001206660066 938325367 /nfs/dbraw/zinc/32/53/67/938325367.db2.gz VQGPPTSJERFASM-OPQQBVKSSA-N 1 2 290.367 1.388 20 30 CDEDLO Cc1nc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C2)c(C)o1 ZINC001206660066 938325369 /nfs/dbraw/zinc/32/53/69/938325369.db2.gz VQGPPTSJERFASM-OPQQBVKSSA-N 1 2 290.367 1.388 20 30 CDEDLO Cc1c[nH+]c(NCCCc2c[nH][nH]c2=O)c(/C=N/O)c1 ZINC001156284710 938346836 /nfs/dbraw/zinc/34/68/36/938346836.db2.gz MFYRCSHWEDHHQS-JVDJPWEPSA-N 1 2 275.312 1.122 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(N[C@H]3COC(=O)C3)c2c1 ZINC001158243698 938598959 /nfs/dbraw/zinc/59/89/59/938598959.db2.gz CHLROJOSXIUYQZ-LLVKDONJSA-N 1 2 253.261 1.834 20 30 CDEDLO C[N@@H+]1CCOC[C@@H]1CNc1ncnc2ccc(C#N)cc21 ZINC001158701016 938651799 /nfs/dbraw/zinc/65/17/99/938651799.db2.gz IGGVRBYRCGIXMJ-LBPRGKRZSA-N 1 2 283.335 1.244 20 30 CDEDLO C[N@H+]1CCOC[C@@H]1CNc1ncnc2ccc(C#N)cc21 ZINC001158701016 938651800 /nfs/dbraw/zinc/65/18/00/938651800.db2.gz IGGVRBYRCGIXMJ-LBPRGKRZSA-N 1 2 283.335 1.244 20 30 CDEDLO Cc1nc(N[C@@H]2C(=O)N(O)C[C@@H]2C)c(C)c(C)[nH+]1 ZINC001160178720 938774001 /nfs/dbraw/zinc/77/40/01/938774001.db2.gz MDARWQVLIHDSHH-WKEGUHRASA-N 1 2 250.302 1.050 20 30 CDEDLO C#CCCN1CCC[C@@H](Nc2[nH+]cc(C)cc2OC)C1=O ZINC001160900016 938840703 /nfs/dbraw/zinc/84/07/03/938840703.db2.gz SIVVATWBBAPIMJ-CYBMUJFWSA-N 1 2 287.363 1.825 20 30 CDEDLO C=CCc1cc(C)c[nH+]c1N[C@H]1CCS(=O)(=O)C1 ZINC001162495293 939069951 /nfs/dbraw/zinc/06/99/51/939069951.db2.gz RFPMCDJYGZEAPK-LBPRGKRZSA-N 1 2 266.366 1.718 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)Oc1ccc(Cl)nc1 ZINC001164640522 939500592 /nfs/dbraw/zinc/50/05/92/939500592.db2.gz BJMHCTXDOKJZRE-MRVPVSSYSA-N 1 2 288.685 1.461 20 30 CDEDLO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[NH2+]C[C@H]1C#N ZINC001164640484 939501017 /nfs/dbraw/zinc/50/10/17/939501017.db2.gz AFKBJYCKCYVHCR-MRVPVSSYSA-N 1 2 297.696 1.453 20 30 CDEDLO CCOC(=O)c1nc(N2CC[NH2+]C[C@H]2C#N)ccc1Cl ZINC001164651789 939501674 /nfs/dbraw/zinc/50/16/74/939501674.db2.gz LOWZDPRYCOWTHP-SECBINFHSA-N 1 2 294.742 1.213 20 30 CDEDLO Cc1[nH+]c(N2CCNC(=O)C2(C)C)ccc1CC#N ZINC001166607826 939619170 /nfs/dbraw/zinc/61/91/70/939619170.db2.gz GAQYZDKFQUEYRK-UHFFFAOYSA-N 1 2 258.325 1.171 20 30 CDEDLO N#CCc1cc[nH+]c(N2CCCN(c3ncccn3)CC2)c1 ZINC001166817435 939641486 /nfs/dbraw/zinc/64/14/86/939641486.db2.gz FBRPIPXTFPPHIA-UHFFFAOYSA-N 1 2 294.362 1.654 20 30 CDEDLO Cn1cnc2c1C[N@H+](Cc1ccc(C#N)cc1)CC2 ZINC001203906011 939713215 /nfs/dbraw/zinc/71/32/15/939713215.db2.gz IUGWXJNQESGMIU-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO Cn1cnc2c1C[N@@H+](Cc1ccc(C#N)cc1)CC2 ZINC001203906011 939713217 /nfs/dbraw/zinc/71/32/17/939713217.db2.gz IUGWXJNQESGMIU-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2cn(C)nc2C)CC1 ZINC001204583725 939778414 /nfs/dbraw/zinc/77/84/14/939778414.db2.gz ZYQLIDBFDJURFB-UHFFFAOYSA-N 1 2 276.340 1.007 20 30 CDEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1C ZINC001206885182 940107295 /nfs/dbraw/zinc/10/72/95/940107295.db2.gz YNRBIYOLLFTFAP-UKRRQHHQSA-N 1 2 289.379 1.805 20 30 CDEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1C ZINC001206885182 940107296 /nfs/dbraw/zinc/10/72/96/940107296.db2.gz YNRBIYOLLFTFAP-UKRRQHHQSA-N 1 2 289.379 1.805 20 30 CDEDLO C=CCN(CCN1CCc2c([nH+]cn2C)C1)C(=O)OCC ZINC001209020179 940424325 /nfs/dbraw/zinc/42/43/25/940424325.db2.gz COBHDVMLOLOWBC-UHFFFAOYSA-N 1 2 292.383 1.423 20 30 CDEDLO C=CCN(CC[N@@H+]1CCC(=O)C(C)(C)C1)C(=O)OCC ZINC001209021676 940425169 /nfs/dbraw/zinc/42/51/69/940425169.db2.gz BYIRZGDLHGMCBJ-UHFFFAOYSA-N 1 2 282.384 1.932 20 30 CDEDLO C=CCN(CC[N@H+]1CCC(=O)C(C)(C)C1)C(=O)OCC ZINC001209021676 940425171 /nfs/dbraw/zinc/42/51/71/940425171.db2.gz BYIRZGDLHGMCBJ-UHFFFAOYSA-N 1 2 282.384 1.932 20 30 CDEDLO C=CCN(CC[N@@H+]1CCN(C(C)=O)[C@@H](C)C1)C(=O)OCC ZINC001209020294 940425175 /nfs/dbraw/zinc/42/51/75/940425175.db2.gz FZEVMTNLAHYUDM-ZDUSSCGKSA-N 1 2 297.399 1.184 20 30 CDEDLO C=CCN(CC[N@H+]1CCN(C(C)=O)[C@@H](C)C1)C(=O)OCC ZINC001209020294 940425177 /nfs/dbraw/zinc/42/51/77/940425177.db2.gz FZEVMTNLAHYUDM-ZDUSSCGKSA-N 1 2 297.399 1.184 20 30 CDEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1CCCCOC ZINC001209218048 940450345 /nfs/dbraw/zinc/45/03/45/940450345.db2.gz POMIBJOVHKYEQE-AWEZNQCLSA-N 1 2 294.399 1.344 20 30 CDEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1CCCCOC ZINC001209218048 940450346 /nfs/dbraw/zinc/45/03/46/940450346.db2.gz POMIBJOVHKYEQE-AWEZNQCLSA-N 1 2 294.399 1.344 20 30 CDEDLO C#Cc1cc(Nc2ccccc2S(=O)(=O)NC)cc[nH+]1 ZINC001216531117 940944270 /nfs/dbraw/zinc/94/42/70/940944270.db2.gz KANFZSDCYBVKGL-UHFFFAOYSA-N 1 2 287.344 1.137 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCC(C)(C)C)[C@H]2C1 ZINC001218803777 941273316 /nfs/dbraw/zinc/27/33/16/941273316.db2.gz PISCKKUIQTVQFV-UONOGXRCSA-N 1 2 278.396 1.358 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCC(C)(C)C)[C@H]2C1 ZINC001218803777 941273319 /nfs/dbraw/zinc/27/33/19/941273319.db2.gz PISCKKUIQTVQFV-UONOGXRCSA-N 1 2 278.396 1.358 20 30 CDEDLO C=CCCC(=O)NCC1CC[NH+](Cc2nc(C)no2)CC1 ZINC001222574475 941616088 /nfs/dbraw/zinc/61/60/88/941616088.db2.gz VURUFPOMMIJUOK-UHFFFAOYSA-N 1 2 292.383 1.672 20 30 CDEDLO CC(=O)Nc1ncccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001226149873 941957798 /nfs/dbraw/zinc/95/77/98/941957798.db2.gz FDAXKUYXSUFSNQ-GQTXGERZSA-N 1 2 289.335 1.031 20 30 CDEDLO CC(=O)Nc1ncccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001226149873 941957802 /nfs/dbraw/zinc/95/78/02/941957802.db2.gz FDAXKUYXSUFSNQ-GQTXGERZSA-N 1 2 289.335 1.031 20 30 CDEDLO C=CCOCC(=O)NC1CC[NH+](Cc2cc(C)on2)CC1 ZINC001226589693 942031390 /nfs/dbraw/zinc/03/13/90/942031390.db2.gz WNPBQFQFLABWFX-UHFFFAOYSA-N 1 2 293.367 1.266 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NC1CC[NH+](Cc2ccon2)CC1 ZINC001227076341 942128308 /nfs/dbraw/zinc/12/83/08/942128308.db2.gz IZSKYPZGNWVXRH-HNNXBMFYSA-N 1 2 293.367 1.082 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc[nH+]c1N ZINC001228701389 942362609 /nfs/dbraw/zinc/36/26/09/942362609.db2.gz WOOFUUKPBHZXSH-NEPJUHHUSA-N 1 2 276.340 1.197 20 30 CDEDLO C[N+](C)(C)C[C@@H](CC#N)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228969742 942400879 /nfs/dbraw/zinc/40/08/79/942400879.db2.gz BDORYDMWHWRGHZ-SNVBAGLBSA-O 1 2 296.303 1.373 20 30 CDEDLO CCC(CC)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001230834901 942709593 /nfs/dbraw/zinc/70/95/93/942709593.db2.gz PDAWIAVLVXRXGV-OAHLLOKOSA-N 1 2 280.412 1.605 20 30 CDEDLO CCC(CC)C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001230834901 942709598 /nfs/dbraw/zinc/70/95/98/942709598.db2.gz PDAWIAVLVXRXGV-OAHLLOKOSA-N 1 2 280.412 1.605 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001231095433 942784085 /nfs/dbraw/zinc/78/40/85/942784085.db2.gz PYMXVSHYLQJHGX-QWHCGFSZSA-N 1 2 272.364 1.470 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001231095433 942784089 /nfs/dbraw/zinc/78/40/89/942784089.db2.gz PYMXVSHYLQJHGX-QWHCGFSZSA-N 1 2 272.364 1.470 20 30 CDEDLO Cc1noc(C)c1C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231248399 942833287 /nfs/dbraw/zinc/83/32/87/942833287.db2.gz VRSZPCVLFYUEME-MFKMUULPSA-N 1 2 290.367 1.484 20 30 CDEDLO Cc1noc(C)c1C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231248399 942833292 /nfs/dbraw/zinc/83/32/92/942833292.db2.gz VRSZPCVLFYUEME-MFKMUULPSA-N 1 2 290.367 1.484 20 30 CDEDLO N#Cc1ccnc(CN2CC[NH+](Cc3ccco3)CC2)c1 ZINC001232481150 943295276 /nfs/dbraw/zinc/29/52/76/943295276.db2.gz WLZBNMLRULHKJD-UHFFFAOYSA-N 1 2 282.347 1.864 20 30 CDEDLO COC(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001232844203 943411134 /nfs/dbraw/zinc/41/11/34/943411134.db2.gz IXSCDYVSXYZZTE-UHFFFAOYSA-N 1 2 279.365 1.894 20 30 CDEDLO COC(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001232844203 943411137 /nfs/dbraw/zinc/41/11/37/943411137.db2.gz IXSCDYVSXYZZTE-UHFFFAOYSA-N 1 2 279.365 1.894 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@@H]2CN(C)C(=O)C#CC2CC2)on1 ZINC001234177639 943765603 /nfs/dbraw/zinc/76/56/03/943765603.db2.gz CKDABMDLMKTIEN-CQSZACIVSA-N 1 2 287.363 1.429 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)C#CC2CC2)on1 ZINC001234177639 943765608 /nfs/dbraw/zinc/76/56/08/943765608.db2.gz CKDABMDLMKTIEN-CQSZACIVSA-N 1 2 287.363 1.429 20 30 CDEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)[C@@H](C)OC ZINC001234587170 943904208 /nfs/dbraw/zinc/90/42/08/943904208.db2.gz XBNSLPWCITVYND-SNVBAGLBSA-N 1 2 293.205 1.368 20 30 CDEDLO C=C(Br)C[N@H+](C)CCCNC(=O)[C@@H](C)OC ZINC001234587170 943904213 /nfs/dbraw/zinc/90/42/13/943904213.db2.gz XBNSLPWCITVYND-SNVBAGLBSA-N 1 2 293.205 1.368 20 30 CDEDLO C=CCS(=O)(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001259927553 945711790 /nfs/dbraw/zinc/71/17/90/945711790.db2.gz LLKQMUMFHFVVNU-AWEZNQCLSA-N 1 2 294.420 1.881 20 30 CDEDLO Cc1cc(COS(C)(=O)=O)ccc1-c1[nH]cc[nH+]1 ZINC001242018334 946555975 /nfs/dbraw/zinc/55/59/75/946555975.db2.gz DYHNXGJCSGTIEZ-UHFFFAOYSA-N 1 2 266.322 1.861 20 30 CDEDLO COC(=O)[C@@H]([NH2+][C@H]1CC[C@H](C#N)C1)C1CCOCC1 ZINC001254637430 947564720 /nfs/dbraw/zinc/56/47/20/947564720.db2.gz PCJCTSAOKZPNCV-DRZSPHRISA-N 1 2 266.341 1.236 20 30 CDEDLO CC[C@H](CC#N)N[C@@H](CCc1cn(C)c[nH+]1)C(=O)OC ZINC001255165069 947760302 /nfs/dbraw/zinc/76/03/02/947760302.db2.gz SZKCKZVMKGRJJB-YPMHNXCESA-N 1 2 278.356 1.176 20 30 CDEDLO Cn1c[nH+]c(CCNC(=S)Nc2ccc(C#N)cc2)c1 ZINC001245933949 947855232 /nfs/dbraw/zinc/85/52/32/947855232.db2.gz JVEUIYFZAHLWGT-UHFFFAOYSA-N 1 2 285.376 1.821 20 30 CDEDLO CC(C)(C)OC(=O)N1CCC[C@@H](N2CC[NH2+]C[C@H]2C#N)C1 ZINC001255906671 948127255 /nfs/dbraw/zinc/12/72/55/948127255.db2.gz JRXFFGCWKMGDRZ-CHWSQXEVSA-N 1 2 294.399 1.183 20 30 CDEDLO CC(C)CC(=O)N1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC001256680410 948391906 /nfs/dbraw/zinc/39/19/06/948391906.db2.gz ZGNHSRLIOXIFFE-CYBMUJFWSA-N 1 2 267.373 1.105 20 30 CDEDLO Cn1c[nH+]cc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC001258039340 948693343 /nfs/dbraw/zinc/69/33/43/948693343.db2.gz OZOFGGHYMIBYAB-UHFFFAOYSA-N 1 2 262.294 1.093 20 30 CDEDLO CCc1cc(C#N)ccc1C[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC001248752032 949126126 /nfs/dbraw/zinc/12/61/26/949126126.db2.gz UKEIIJDXQMENHN-LBPRGKRZSA-N 1 2 271.364 1.783 20 30 CDEDLO CCc1cc(C#N)ccc1C[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC001248752032 949126139 /nfs/dbraw/zinc/12/61/39/949126139.db2.gz UKEIIJDXQMENHN-LBPRGKRZSA-N 1 2 271.364 1.783 20 30 CDEDLO C#Cc1cc(Nc2ccc(NC(C)=O)nc2)cc[nH+]1 ZINC001249741193 949766781 /nfs/dbraw/zinc/76/67/81/949766781.db2.gz LQDXJPZGUWLCKA-UHFFFAOYSA-N 1 2 252.277 1.582 20 30 CDEDLO N#Cc1cnc(C[NH2+]C[C@H](O)C(F)(F)F)s1 ZINC001250992404 950537841 /nfs/dbraw/zinc/53/78/41/950537841.db2.gz GZDZEJRFCXLIDM-LURJTMIESA-N 1 2 251.233 1.028 20 30 CDEDLO C=CCOC[C@H](O)C[N@@H+]1CCO[C@H](c2ccncc2)C1 ZINC001252471376 951320699 /nfs/dbraw/zinc/32/06/99/951320699.db2.gz WZIWIDMJXJFCHQ-CABCVRRESA-N 1 2 278.352 1.018 20 30 CDEDLO C=CCOC[C@H](O)C[N@H+]1CCO[C@H](c2ccncc2)C1 ZINC001252471376 951320712 /nfs/dbraw/zinc/32/07/12/951320712.db2.gz WZIWIDMJXJFCHQ-CABCVRRESA-N 1 2 278.352 1.018 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cccn1C ZINC001480842113 971908535 /nfs/dbraw/zinc/90/85/35/971908535.db2.gz QDEOGURAAYLSIS-UHFFFAOYSA-N 1 2 255.749 1.439 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cccn1C ZINC001480842113 971908540 /nfs/dbraw/zinc/90/85/40/971908540.db2.gz QDEOGURAAYLSIS-UHFFFAOYSA-N 1 2 255.749 1.439 20 30 CDEDLO CS(=O)(=O)c1ccc(C[NH2+]CC2(C#N)CCC2)s1 ZINC001363639681 953587070 /nfs/dbraw/zinc/58/70/70/953587070.db2.gz HPAOTQDIACPYPY-UHFFFAOYSA-N 1 2 284.406 1.935 20 30 CDEDLO C#CC1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC001326753853 954526761 /nfs/dbraw/zinc/52/67/61/954526761.db2.gz YVRFCTALRIAVAH-OAHLLOKOSA-N 1 2 298.390 1.715 20 30 CDEDLO CCn1nc(C)c(C[NH2+]Cc2cccc(OCC#N)c2)n1 ZINC001364580242 954839913 /nfs/dbraw/zinc/83/99/13/954839913.db2.gz XEZUUENKWUTJSE-UHFFFAOYSA-N 1 2 285.351 1.799 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC001364714190 955080256 /nfs/dbraw/zinc/08/02/56/955080256.db2.gz MCQLWAAWHCELLV-SECBINFHSA-N 1 2 294.273 1.078 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CCOC(C)C)C1 ZINC001422719761 956285975 /nfs/dbraw/zinc/28/59/75/956285975.db2.gz MBVHEUYJONIZLG-LBPRGKRZSA-N 1 2 288.819 1.991 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc(C)n[nH]1)C1CC1 ZINC001366734313 957152346 /nfs/dbraw/zinc/15/23/46/957152346.db2.gz RCLUTMAXYFOTQA-UHFFFAOYSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc(C)n[nH]1)C1CC1 ZINC001366734313 957152331 /nfs/dbraw/zinc/15/23/31/957152331.db2.gz RCLUTMAXYFOTQA-UHFFFAOYSA-N 1 2 282.775 1.665 20 30 CDEDLO C=CCn1cnn(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1=S ZINC001319139340 958391416 /nfs/dbraw/zinc/39/14/16/958391416.db2.gz ZWRZAONXBRAGLX-CYBMUJFWSA-N 1 2 280.397 1.670 20 30 CDEDLO C=CCn1cnn(C[N@H+]2CC[C@@]3(CCOC3)C2)c1=S ZINC001319139340 958391427 /nfs/dbraw/zinc/39/14/27/958391427.db2.gz ZWRZAONXBRAGLX-CYBMUJFWSA-N 1 2 280.397 1.670 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)c2cn[nH]n2)C1 ZINC001368228089 958719573 /nfs/dbraw/zinc/71/95/73/958719573.db2.gz MQEZSPFFBGUFPA-CYBMUJFWSA-N 1 2 297.790 1.389 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)c2cn[nH]n2)C1 ZINC001368228089 958719590 /nfs/dbraw/zinc/71/95/90/958719590.db2.gz MQEZSPFFBGUFPA-CYBMUJFWSA-N 1 2 297.790 1.389 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)c2cnn[nH]2)C1 ZINC001368228089 958719608 /nfs/dbraw/zinc/71/96/08/958719608.db2.gz MQEZSPFFBGUFPA-CYBMUJFWSA-N 1 2 297.790 1.389 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)c2cnn[nH]2)C1 ZINC001368228089 958719621 /nfs/dbraw/zinc/71/96/21/958719621.db2.gz MQEZSPFFBGUFPA-CYBMUJFWSA-N 1 2 297.790 1.389 20 30 CDEDLO C=CC[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(=O)OCC ZINC001334339852 959036265 /nfs/dbraw/zinc/03/62/65/959036265.db2.gz JVASISFQGMAYQM-RYUDHWBXSA-N 1 2 291.351 1.070 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@]2(C)CCOC2)C1 ZINC001419037861 961292665 /nfs/dbraw/zinc/29/26/65/961292665.db2.gz ZSRDNRVXLXQKGX-ZDUSSCGKSA-N 1 2 272.776 1.214 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001419043356 961298827 /nfs/dbraw/zinc/29/88/27/961298827.db2.gz ZZQKNGBPASJGEH-LLVKDONJSA-N 1 2 296.802 1.324 20 30 CDEDLO C#C[C@H](C)N(C)c1nnc(C[NH+]2CCCCC2)n1CC ZINC001339652782 962471109 /nfs/dbraw/zinc/47/11/09/962471109.db2.gz NAXDAHXTWKDYGH-ZDUSSCGKSA-N 1 2 275.400 1.742 20 30 CDEDLO C[N@H+](CCNC(=O)Cc1cc[nH]n1)Cc1ccccc1C#N ZINC001437446563 962905441 /nfs/dbraw/zinc/90/54/41/962905441.db2.gz GWXRKWVRDGNWAL-UHFFFAOYSA-N 1 2 297.362 1.072 20 30 CDEDLO C[N@@H+](CCNC(=O)Cc1cc[nH]n1)Cc1ccccc1C#N ZINC001437446563 962905447 /nfs/dbraw/zinc/90/54/47/962905447.db2.gz GWXRKWVRDGNWAL-UHFFFAOYSA-N 1 2 297.362 1.072 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnc(C)n1C ZINC001437505633 962969979 /nfs/dbraw/zinc/96/99/79/962969979.db2.gz GZZYKRVOPLCNKN-UHFFFAOYSA-N 1 2 270.764 1.143 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnc(C)n1C ZINC001437505633 962969990 /nfs/dbraw/zinc/96/99/90/962969990.db2.gz GZZYKRVOPLCNKN-UHFFFAOYSA-N 1 2 270.764 1.143 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](O)C(C)C ZINC001437657091 963100921 /nfs/dbraw/zinc/10/09/21/963100921.db2.gz JXFLMHPEFSURPN-NWDGAFQWSA-N 1 2 274.792 1.336 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](O)C(C)C ZINC001437657091 963100931 /nfs/dbraw/zinc/10/09/31/963100931.db2.gz JXFLMHPEFSURPN-NWDGAFQWSA-N 1 2 274.792 1.336 20 30 CDEDLO C#CCN(CC#N)C(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001344548989 964350659 /nfs/dbraw/zinc/35/06/59/964350659.db2.gz HXGOCJXSBIFKDK-INIZCTEOSA-N 1 2 296.374 1.421 20 30 CDEDLO C#CCN(CC#N)C(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001344548989 964350663 /nfs/dbraw/zinc/35/06/63/964350663.db2.gz HXGOCJXSBIFKDK-INIZCTEOSA-N 1 2 296.374 1.421 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccnc2ccnn21 ZINC001442432109 965062251 /nfs/dbraw/zinc/06/22/51/965062251.db2.gz XHUNSYGTPYUHJY-UHFFFAOYSA-N 1 2 293.758 1.143 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccnc2ccnn21 ZINC001442432109 965062256 /nfs/dbraw/zinc/06/22/56/965062256.db2.gz XHUNSYGTPYUHJY-UHFFFAOYSA-N 1 2 293.758 1.143 20 30 CDEDLO COCC#CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC001350528014 966689542 /nfs/dbraw/zinc/68/95/42/966689542.db2.gz AULIAMGHZBPNTQ-UHFFFAOYSA-N 1 2 278.377 1.042 20 30 CDEDLO Cc1cc(N(C)CCNC(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001100004671 967189537 /nfs/dbraw/zinc/18/95/37/967189537.db2.gz AEDIQBKNYRSEDZ-LLVKDONJSA-N 1 2 289.383 1.621 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC001354501062 968745671 /nfs/dbraw/zinc/74/56/71/968745671.db2.gz WBFDAVHWLXLYFF-NSHDSACASA-N 1 2 262.313 1.004 20 30 CDEDLO CC(C)NC(=O)[C@@H](C#N)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001356275546 969366912 /nfs/dbraw/zinc/36/69/12/969366912.db2.gz NGUXHMLTYWTZJK-NWDGAFQWSA-N 1 2 265.357 1.093 20 30 CDEDLO CC(C)NC(=O)[C@@H](C#N)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001356275546 969366921 /nfs/dbraw/zinc/36/69/21/969366921.db2.gz NGUXHMLTYWTZJK-NWDGAFQWSA-N 1 2 265.357 1.093 20 30 CDEDLO N#Cc1cccc([C@@H](O)CN2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC001460045468 969471119 /nfs/dbraw/zinc/47/11/19/969471119.db2.gz DWQJTBOOAZRDFX-HNNXBMFYSA-N 1 2 297.362 1.137 20 30 CDEDLO CCOc1ccc(C#N)cc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001361678184 970410633 /nfs/dbraw/zinc/41/06/33/970410633.db2.gz PNUBHOCKFYQEMT-UHFFFAOYSA-N 1 2 270.292 1.861 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cn1cc(C)cn1 ZINC001496673580 973030663 /nfs/dbraw/zinc/03/06/63/973030663.db2.gz SELQJJQQAGWVOU-UHFFFAOYSA-N 1 2 284.791 1.334 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cn1cc(C)cn1 ZINC001496673580 973030672 /nfs/dbraw/zinc/03/06/72/973030672.db2.gz SELQJJQQAGWVOU-UHFFFAOYSA-N 1 2 284.791 1.334 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@H]2CCOC2)C1 ZINC001373495686 973465472 /nfs/dbraw/zinc/46/54/72/973465472.db2.gz DYUVXBUBPFYKEN-LLVKDONJSA-N 1 2 272.776 1.214 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](OCC)C2CC2)C1 ZINC001373508848 973473826 /nfs/dbraw/zinc/47/38/26/973473826.db2.gz RILCUQHKKLZANV-ZDUSSCGKSA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCc2cnccn2)C1 ZINC001373543751 973484604 /nfs/dbraw/zinc/48/46/04/973484604.db2.gz LECGBZSDLXGVON-UHFFFAOYSA-N 1 2 294.786 1.210 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc(C)nn1C ZINC001378009855 975204442 /nfs/dbraw/zinc/20/44/42/975204442.db2.gz QEXAQHYWLNRINT-NSHDSACASA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(C)nn1C ZINC001378009855 975204444 /nfs/dbraw/zinc/20/44/44/975204444.db2.gz QEXAQHYWLNRINT-NSHDSACASA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)COCC2CC2)C1 ZINC001402131795 976140380 /nfs/dbraw/zinc/14/03/80/976140380.db2.gz IYDACCJSMZKDPF-AWEZNQCLSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)COCC2CC2)C1 ZINC001402131795 976140387 /nfs/dbraw/zinc/14/03/87/976140387.db2.gz IYDACCJSMZKDPF-AWEZNQCLSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(C)(CNC(=O)c2cnn[nH]2)CC1 ZINC001380446695 976422193 /nfs/dbraw/zinc/42/21/93/976422193.db2.gz AEKTUESIBZELKS-UHFFFAOYSA-N 1 2 297.790 1.389 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)COCC1CC1 ZINC001403969234 977287190 /nfs/dbraw/zinc/28/71/90/977287190.db2.gz IAVCQGVNHGHZLH-ZDUSSCGKSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)COCC1CC1 ZINC001403969234 977287194 /nfs/dbraw/zinc/28/71/94/977287194.db2.gz IAVCQGVNHGHZLH-ZDUSSCGKSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001132569058 1163376065 /nfs/dbraw/zinc/37/60/65/1163376065.db2.gz KCSIFYNSSTXVAB-WDEREUQCSA-N 1 2 280.372 1.296 20 30 CDEDLO CC#CCCCC(=O)NCC[NH2+]Cc1nn(C)cc1Cl ZINC001132593270 1163394740 /nfs/dbraw/zinc/39/47/40/1163394740.db2.gz YTLOBASMYGHLDB-UHFFFAOYSA-N 1 2 296.802 1.473 20 30 CDEDLO C=CC[N@@H+](C)CN1C(=O)C2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000811769167 1163529853 /nfs/dbraw/zinc/52/98/53/1163529853.db2.gz RQMZTDNVOVMJOG-CHWSQXEVSA-N 1 2 264.369 1.622 20 30 CDEDLO C=CC[N@H+](C)CN1C(=O)C2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000811769167 1163529860 /nfs/dbraw/zinc/52/98/60/1163529860.db2.gz RQMZTDNVOVMJOG-CHWSQXEVSA-N 1 2 264.369 1.622 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+]Cc1nc(CCCC)no1 ZINC001133154181 1163585188 /nfs/dbraw/zinc/58/51/88/1163585188.db2.gz DDCNWSYWLKHEKT-UHFFFAOYSA-N 1 2 294.399 1.974 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001133378545 1163661806 /nfs/dbraw/zinc/66/18/06/1163661806.db2.gz GSIPGCOYYZMLGO-HNNXBMFYSA-N 1 2 292.383 1.755 20 30 CDEDLO C#CCN(C(=O)c1cccc(Cl)c1O)C1CC[NH2+]CC1 ZINC001574590563 1170995141 /nfs/dbraw/zinc/99/51/41/1170995141.db2.gz DPDCKYRHXUQPBM-UHFFFAOYSA-N 1 2 292.766 1.873 20 30 CDEDLO C=C[C@H](CC)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2c[nH]nn2)C1 ZINC001575077939 1171105824 /nfs/dbraw/zinc/10/58/24/1171105824.db2.gz DMSYUPXCDVEWDP-UPJWGTAASA-N 1 2 291.399 1.391 20 30 CDEDLO C=C[C@H](CC)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cn[nH]n2)C1 ZINC001575077939 1171105829 /nfs/dbraw/zinc/10/58/29/1171105829.db2.gz DMSYUPXCDVEWDP-UPJWGTAASA-N 1 2 291.399 1.391 20 30 CDEDLO CN(C)c1c(F)c(F)ccc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000600167599 341982198 /nfs/dbraw/zinc/98/21/98/341982198.db2.gz PQGXRQDIGSVOFB-OAHLLOKOSA-N 1 2 295.333 1.881 20 30 CDEDLO CN(C)c1c(F)c(F)ccc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000600167599 341982199 /nfs/dbraw/zinc/98/21/99/341982199.db2.gz PQGXRQDIGSVOFB-OAHLLOKOSA-N 1 2 295.333 1.881 20 30 CDEDLO COc1ccc2[nH+]c(NCCn3cnc(C#N)n3)ccc2c1 ZINC000588075621 342491737 /nfs/dbraw/zinc/49/17/37/342491737.db2.gz YSWKKRJBDRTZKC-UHFFFAOYSA-N 1 2 294.318 1.241 20 30 CDEDLO COCC[N@H+](CCC#N)CCN1CCc2ccccc21 ZINC000589984905 342518224 /nfs/dbraw/zinc/51/82/24/342518224.db2.gz LZYNYQAYVGKOIE-UHFFFAOYSA-N 1 2 273.380 1.911 20 30 CDEDLO COCC[N@@H+](CCC#N)CCN1CCc2ccccc21 ZINC000589984905 342518225 /nfs/dbraw/zinc/51/82/25/342518225.db2.gz LZYNYQAYVGKOIE-UHFFFAOYSA-N 1 2 273.380 1.911 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCO1 ZINC000590162501 342523693 /nfs/dbraw/zinc/52/36/93/342523693.db2.gz UEUFVVOQSPHZAV-UPJWGTAASA-N 1 2 280.368 1.721 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CCO1 ZINC000590162501 342523694 /nfs/dbraw/zinc/52/36/94/342523694.db2.gz UEUFVVOQSPHZAV-UPJWGTAASA-N 1 2 280.368 1.721 20 30 CDEDLO N#CCc1ccccc1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000601309898 342551713 /nfs/dbraw/zinc/55/17/13/342551713.db2.gz KTURKDGPYLVBBJ-HNNXBMFYSA-N 1 2 299.374 1.299 20 30 CDEDLO Cc1cc(NCc2nnc(C3CC3)o2)c(C#N)c[nH+]1 ZINC000564877058 365541915 /nfs/dbraw/zinc/54/19/15/365541915.db2.gz MWAWJNMQNMLXPX-UHFFFAOYSA-N 1 2 255.281 1.556 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCc2[nH+]c[nH]c2C1 ZINC000590601002 342577648 /nfs/dbraw/zinc/57/76/48/342577648.db2.gz OYVDNLYKFJBCSR-NSHDSACASA-N 1 2 295.346 1.667 20 30 CDEDLO C=C[C@](C)(O)C(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000616508268 342112926 /nfs/dbraw/zinc/11/29/26/342112926.db2.gz HFSPATOTUZETCX-HNNXBMFYSA-N 1 2 273.336 1.238 20 30 CDEDLO Cc1cccn2cc(CC(=O)NCC3(C#N)CCC3)[nH+]c12 ZINC000591323102 342625895 /nfs/dbraw/zinc/62/58/95/342625895.db2.gz GENBGVQITKQOLE-UHFFFAOYSA-N 1 2 282.347 1.995 20 30 CDEDLO CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147193 342673725 /nfs/dbraw/zinc/67/37/25/342673725.db2.gz JGDICDQRAJUKAK-MRXNPFEDSA-N 1 2 295.427 1.477 20 30 CDEDLO CC(C)CN(CC(C)C)C(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147193 342673726 /nfs/dbraw/zinc/67/37/26/342673726.db2.gz JGDICDQRAJUKAK-MRXNPFEDSA-N 1 2 295.427 1.477 20 30 CDEDLO CCCC[C@@H](C(=O)OC)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150341 342668734 /nfs/dbraw/zinc/66/87/34/342668734.db2.gz DWAGHKDNQPBZMN-AAEUAGOBSA-N 1 2 254.330 1.069 20 30 CDEDLO CCCC[C@@H](C(=O)OC)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150341 342668735 /nfs/dbraw/zinc/66/87/35/342668735.db2.gz DWAGHKDNQPBZMN-AAEUAGOBSA-N 1 2 254.330 1.069 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)[C@@H](CC)CO1 ZINC000593057608 342760327 /nfs/dbraw/zinc/76/03/27/342760327.db2.gz GJXNRVTUSOGHIF-SOUVJXGZSA-N 1 2 295.427 1.884 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)[C@@H](CC)CO1 ZINC000593057608 342760329 /nfs/dbraw/zinc/76/03/29/342760329.db2.gz GJXNRVTUSOGHIF-SOUVJXGZSA-N 1 2 295.427 1.884 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)[C@@H](C)CO1 ZINC000593061118 342761059 /nfs/dbraw/zinc/76/10/59/342761059.db2.gz IJNOUDFBQIMLJD-NWDGAFQWSA-N 1 2 265.357 1.048 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)[C@@H](C)CO1 ZINC000593061118 342761060 /nfs/dbraw/zinc/76/10/60/342761060.db2.gz IJNOUDFBQIMLJD-NWDGAFQWSA-N 1 2 265.357 1.048 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCC(F)(F)C1 ZINC000593153111 342773948 /nfs/dbraw/zinc/77/39/48/342773948.db2.gz IEECMARIDFWKAF-MWLCHTKSSA-N 1 2 259.300 1.382 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CC1CC(F)(F)C1 ZINC000593153438 342774145 /nfs/dbraw/zinc/77/41/45/342774145.db2.gz PABMSOUGOYCYCB-NSHDSACASA-N 1 2 259.300 1.382 20 30 CDEDLO C[C@H]([NH2+][C@@H](C)c1ccon1)C(=O)NC1(C#N)CCC1 ZINC000527298677 361887912 /nfs/dbraw/zinc/88/79/12/361887912.db2.gz CNBIJALOUKWTTF-UWVGGRQHSA-N 1 2 262.313 1.276 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000159913550 361912484 /nfs/dbraw/zinc/91/24/84/361912484.db2.gz XHSVEDRMVHZHHD-AWEZNQCLSA-N 1 2 298.452 1.641 20 30 CDEDLO C[C@H](CC(=O)N1CCC[C@](C)(C#N)C1)n1cc[nH+]c1 ZINC000593599901 342817593 /nfs/dbraw/zinc/81/75/93/342817593.db2.gz YRKKFGQYIYZVFM-TZMCWYRMSA-N 1 2 260.341 1.986 20 30 CDEDLO N#CC1CC[NH+](CC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000142083121 342196892 /nfs/dbraw/zinc/19/68/92/342196892.db2.gz LDEUFAZDUQKYNX-UHFFFAOYSA-N 1 2 287.319 1.589 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000341714712 361991249 /nfs/dbraw/zinc/99/12/49/361991249.db2.gz JSDDFGKZMSRTLO-JKSUJKDBSA-N 1 2 299.374 1.412 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000341714712 361991254 /nfs/dbraw/zinc/99/12/54/361991254.db2.gz JSDDFGKZMSRTLO-JKSUJKDBSA-N 1 2 299.374 1.412 20 30 CDEDLO Cc1cnc(OC2CC[NH+](CC3(C#N)CC3)CC2)nc1 ZINC000594021205 342867211 /nfs/dbraw/zinc/86/72/11/342867211.db2.gz QPESTASOSLLPIG-UHFFFAOYSA-N 1 2 272.352 1.932 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000334088800 539057926 /nfs/dbraw/zinc/05/79/26/539057926.db2.gz NEISGIMCNAZCDD-OLZOCXBDSA-N 1 2 276.340 1.142 20 30 CDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CC2=CCCC2)c1=O ZINC000594897274 342970245 /nfs/dbraw/zinc/97/02/45/342970245.db2.gz PAXAJHGJBNZPIG-UHFFFAOYSA-N 1 2 299.374 1.662 20 30 CDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000619433367 349704852 /nfs/dbraw/zinc/70/48/52/349704852.db2.gz SUCOPSYWWADZBP-CQSZACIVSA-N 1 2 289.383 1.035 20 30 CDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000619433367 349704855 /nfs/dbraw/zinc/70/48/55/349704855.db2.gz SUCOPSYWWADZBP-CQSZACIVSA-N 1 2 289.383 1.035 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000619442772 349713242 /nfs/dbraw/zinc/71/32/42/349713242.db2.gz QVSIIDXEBPXKSF-AWEZNQCLSA-N 1 2 260.341 1.505 20 30 CDEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000595426443 343056850 /nfs/dbraw/zinc/05/68/50/343056850.db2.gz HYBCRYLUIITGLQ-MRXNPFEDSA-N 1 2 299.353 1.931 20 30 CDEDLO C[C@@H]1CSCCN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329732446 362029487 /nfs/dbraw/zinc/02/94/87/362029487.db2.gz QDSKKTDCSQLXAJ-ZJUUUORDSA-N 1 2 280.397 1.618 20 30 CDEDLO C[C@@H]1CSCCN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329732446 362029492 /nfs/dbraw/zinc/02/94/92/362029492.db2.gz QDSKKTDCSQLXAJ-ZJUUUORDSA-N 1 2 280.397 1.618 20 30 CDEDLO CC(C)(C)OC(=O)CNC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595620217 343110928 /nfs/dbraw/zinc/11/09/28/343110928.db2.gz KNBOFIQLKFKUHQ-GFCCVEGCSA-N 1 2 295.383 1.070 20 30 CDEDLO CC(C)(C)OC(=O)CNC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595620217 343110929 /nfs/dbraw/zinc/11/09/29/343110929.db2.gz KNBOFIQLKFKUHQ-GFCCVEGCSA-N 1 2 295.383 1.070 20 30 CDEDLO Cn1cc(C[N@H+](C)CCC(=O)Nc2ccccc2C#N)nn1 ZINC000595757208 343142832 /nfs/dbraw/zinc/14/28/32/343142832.db2.gz AOUKTTKXOZXSSN-UHFFFAOYSA-N 1 2 298.350 1.147 20 30 CDEDLO Cn1cc(C[N@@H+](C)CCC(=O)Nc2ccccc2C#N)nn1 ZINC000595757208 343142833 /nfs/dbraw/zinc/14/28/33/343142833.db2.gz AOUKTTKXOZXSSN-UHFFFAOYSA-N 1 2 298.350 1.147 20 30 CDEDLO COc1c(C)c[nH+]c(Cn2ccc(C#N)cc2=O)c1C ZINC000596319801 343301908 /nfs/dbraw/zinc/30/19/08/343301908.db2.gz DWGTWADORYVUFH-UHFFFAOYSA-N 1 2 269.304 1.789 20 30 CDEDLO N#CC[C@@H]1CCCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000596326574 343303648 /nfs/dbraw/zinc/30/36/48/343303648.db2.gz WHGAVGFXSXTJFL-JTQLQIEISA-N 1 2 259.313 1.411 20 30 CDEDLO N#CC[C@@H]1CCCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000596326574 343303649 /nfs/dbraw/zinc/30/36/49/343303649.db2.gz WHGAVGFXSXTJFL-JTQLQIEISA-N 1 2 259.313 1.411 20 30 CDEDLO CCc1nn(C)cc1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000092856060 342419713 /nfs/dbraw/zinc/41/97/13/342419713.db2.gz KNTHPHWJRGWBQG-OAHLLOKOSA-N 1 2 297.362 1.170 20 30 CDEDLO CC(C)C[C@@H](C#N)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000597075514 343439247 /nfs/dbraw/zinc/43/92/47/343439247.db2.gz VJMQNALXSPRVCA-NEPJUHHUSA-N 1 2 260.341 1.500 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(C#N)s2)[C@@H](C)CO1 ZINC000598001350 343686126 /nfs/dbraw/zinc/68/61/26/343686126.db2.gz ZLAOYLCHRVFOPZ-WDEREUQCSA-N 1 2 293.392 1.459 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)s2)[C@@H](C)CO1 ZINC000598001350 343686129 /nfs/dbraw/zinc/68/61/29/343686129.db2.gz ZLAOYLCHRVFOPZ-WDEREUQCSA-N 1 2 293.392 1.459 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCC(=O)OC(C)(C)C ZINC000619719153 349869523 /nfs/dbraw/zinc/86/95/23/349869523.db2.gz XZQYXIAXYCMKEY-SNVBAGLBSA-N 1 2 257.330 1.378 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000619719153 349869524 /nfs/dbraw/zinc/86/95/24/349869524.db2.gz XZQYXIAXYCMKEY-SNVBAGLBSA-N 1 2 257.330 1.378 20 30 CDEDLO C[C@H]1CCN(C(=O)NCC2(C#N)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000573543667 334945625 /nfs/dbraw/zinc/94/56/25/334945625.db2.gz XOSXLKLLASHPKT-STQMWFEESA-N 1 2 287.367 1.779 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccsc1Cl ZINC000598836369 343914587 /nfs/dbraw/zinc/91/45/87/343914587.db2.gz HSAUJDYUKRUYOH-NSHDSACASA-N 1 2 271.773 1.975 20 30 CDEDLO CN(C[C@@H]1CCCCO1)C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330170254 529945175 /nfs/dbraw/zinc/94/51/75/529945175.db2.gz BSKNUUWUNZVMSD-OLZOCXBDSA-N 1 2 292.383 1.613 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2c(O)cccc2C1 ZINC000599644895 344112192 /nfs/dbraw/zinc/11/21/92/344112192.db2.gz ALLYSGLHMDOXHL-UHFFFAOYSA-N 1 2 287.363 1.512 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2c(O)cccc2C1 ZINC000599644895 344112194 /nfs/dbraw/zinc/11/21/94/344112194.db2.gz ALLYSGLHMDOXHL-UHFFFAOYSA-N 1 2 287.363 1.512 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000599621544 344097143 /nfs/dbraw/zinc/09/71/43/344097143.db2.gz ADRXGGCYVWIQRE-VIFPVBQESA-N 1 2 275.299 1.118 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000599621544 344097145 /nfs/dbraw/zinc/09/71/45/344097145.db2.gz ADRXGGCYVWIQRE-VIFPVBQESA-N 1 2 275.299 1.118 20 30 CDEDLO CCOC(=O)[C@H]1CSCC[N@@H+]1C[C@@H](C)CCC#N ZINC000602437463 344416746 /nfs/dbraw/zinc/41/67/46/344416746.db2.gz YLRWVFPQFVNLSU-NWDGAFQWSA-N 1 2 270.398 1.907 20 30 CDEDLO CCOC(=O)[C@H]1CSCC[N@H+]1C[C@@H](C)CCC#N ZINC000602437463 344416747 /nfs/dbraw/zinc/41/67/47/344416747.db2.gz YLRWVFPQFVNLSU-NWDGAFQWSA-N 1 2 270.398 1.907 20 30 CDEDLO COC(=O)c1cc(C[NH+]2CCC(C)(C#N)CC2)on1 ZINC000602606940 344491362 /nfs/dbraw/zinc/49/13/62/344491362.db2.gz PDMFTUZQOMWSLY-UHFFFAOYSA-N 1 2 263.297 1.587 20 30 CDEDLO CCC[N@@H+](CC#N)CCC(=O)Nc1ccc(C)cn1 ZINC000447351087 362423308 /nfs/dbraw/zinc/42/33/08/362423308.db2.gz WKOJMRSQCBEBDL-UHFFFAOYSA-N 1 2 260.341 1.954 20 30 CDEDLO CCC[N@H+](CC#N)CCC(=O)Nc1ccc(C)cn1 ZINC000447351087 362423315 /nfs/dbraw/zinc/42/33/15/362423315.db2.gz WKOJMRSQCBEBDL-UHFFFAOYSA-N 1 2 260.341 1.954 20 30 CDEDLO N#CCCN1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000602797694 344588655 /nfs/dbraw/zinc/58/86/55/344588655.db2.gz JTAODIZUOGYHCG-CQSZACIVSA-N 1 2 287.363 1.358 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCC1(c2ccccc2)CC1 ZINC000602860281 344616244 /nfs/dbraw/zinc/61/62/44/344616244.db2.gz CEEODZKPVNVWFC-ZDUSSCGKSA-N 1 2 271.364 1.726 20 30 CDEDLO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000602863560 344637671 /nfs/dbraw/zinc/63/76/71/344637671.db2.gz OHQLLMSPMRZDQZ-GHMZBOCLSA-N 1 2 261.325 1.914 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cccc(C#N)c2F)nn1 ZINC000603237168 344742730 /nfs/dbraw/zinc/74/27/30/344742730.db2.gz NRRAJLKLGVQQFR-UHFFFAOYSA-N 1 2 283.310 1.450 20 30 CDEDLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163914 347066039 /nfs/dbraw/zinc/06/60/39/347066039.db2.gz WMGSYPMQEWQWJF-JSGCOSHPSA-N 1 2 251.374 1.867 20 30 CDEDLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163914 347066041 /nfs/dbraw/zinc/06/60/41/347066041.db2.gz WMGSYPMQEWQWJF-JSGCOSHPSA-N 1 2 251.374 1.867 20 30 CDEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc(C#N)cn3)n2)C1 ZINC000319021856 344971830 /nfs/dbraw/zinc/97/18/30/344971830.db2.gz AYUVKVWJGJPWCX-ZDUSSCGKSA-N 1 2 299.334 1.785 20 30 CDEDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc(C#N)cn3)n2)C1 ZINC000319021856 344971835 /nfs/dbraw/zinc/97/18/35/344971835.db2.gz AYUVKVWJGJPWCX-ZDUSSCGKSA-N 1 2 299.334 1.785 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000526113753 362574051 /nfs/dbraw/zinc/57/40/51/362574051.db2.gz FYSZGDAWVZMTCV-DZGCQCFKSA-N 1 2 284.400 1.052 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000526113753 362574054 /nfs/dbraw/zinc/57/40/54/362574054.db2.gz FYSZGDAWVZMTCV-DZGCQCFKSA-N 1 2 284.400 1.052 20 30 CDEDLO CC(C)COC[C@@H](O)C[N@H+](CC#N)C1CCCC1 ZINC000151130021 345298919 /nfs/dbraw/zinc/29/89/19/345298919.db2.gz YQWFFDUUGJJWCJ-AWEZNQCLSA-N 1 2 254.374 1.788 20 30 CDEDLO CC(C)COC[C@@H](O)C[N@@H+](CC#N)C1CCCC1 ZINC000151130021 345298921 /nfs/dbraw/zinc/29/89/21/345298921.db2.gz YQWFFDUUGJJWCJ-AWEZNQCLSA-N 1 2 254.374 1.788 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N(CC(C)C)CC(F)(F)F ZINC000072906691 345381779 /nfs/dbraw/zinc/38/17/79/345381779.db2.gz RFXGGAKWJDPSKB-UHFFFAOYSA-N 1 2 288.313 1.602 20 30 CDEDLO CCCCNC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609539147 345596331 /nfs/dbraw/zinc/59/63/31/345596331.db2.gz UNMIPGZNBAMCQQ-CABCVRRESA-N 1 2 294.443 1.457 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617734608 345938260 /nfs/dbraw/zinc/93/82/60/345938260.db2.gz FHAHJXGCFFYOKO-MGPQQGTHSA-N 1 2 284.400 1.193 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617734608 345938261 /nfs/dbraw/zinc/93/82/61/345938261.db2.gz FHAHJXGCFFYOKO-MGPQQGTHSA-N 1 2 284.400 1.193 20 30 CDEDLO COCC[N@H+](CCC#N)C[C@H](O)COc1ccccc1 ZINC000610391975 346269327 /nfs/dbraw/zinc/26/93/27/346269327.db2.gz QUHOIQMMRJFUOZ-AWEZNQCLSA-N 1 2 278.352 1.288 20 30 CDEDLO COCC[N@@H+](CCC#N)C[C@H](O)COc1ccccc1 ZINC000610391975 346269329 /nfs/dbraw/zinc/26/93/29/346269329.db2.gz QUHOIQMMRJFUOZ-AWEZNQCLSA-N 1 2 278.352 1.288 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC12CCC2 ZINC000610737916 346389366 /nfs/dbraw/zinc/38/93/66/346389366.db2.gz GFEUETXGRXCLSE-AWEZNQCLSA-N 1 2 291.395 1.251 20 30 CDEDLO CC(C)C[N@@H+](CC(N)=O)Cc1cccc(C#N)c1F ZINC000223520573 535045509 /nfs/dbraw/zinc/04/55/09/535045509.db2.gz FBKRVTXQPDVBQE-UHFFFAOYSA-N 1 2 263.316 1.641 20 30 CDEDLO CCOC[C@H](C(=O)OC)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000610998698 346571286 /nfs/dbraw/zinc/57/12/86/346571286.db2.gz RJDRXPZRACIZTE-CQSZACIVSA-N 1 2 276.336 1.568 20 30 CDEDLO CCOC[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000610998698 346571289 /nfs/dbraw/zinc/57/12/89/346571289.db2.gz RJDRXPZRACIZTE-CQSZACIVSA-N 1 2 276.336 1.568 20 30 CDEDLO CC(C)C[C@@H](C#N)NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000611012044 346576539 /nfs/dbraw/zinc/57/65/39/346576539.db2.gz LOOQLINRWIZTSK-RYUDHWBXSA-N 1 2 269.414 1.478 20 30 CDEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611173641 346626913 /nfs/dbraw/zinc/62/69/13/346626913.db2.gz DXHWVTNRYBGOIP-HUUCEWRRSA-N 1 2 292.427 1.307 20 30 CDEDLO COCC#CC[N@@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC000611303048 346742306 /nfs/dbraw/zinc/74/23/06/346742306.db2.gz FHCOOSDRUDYFQX-UHFFFAOYSA-N 1 2 273.332 1.481 20 30 CDEDLO COCC#CC[N@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC000611303048 346742310 /nfs/dbraw/zinc/74/23/10/346742310.db2.gz FHCOOSDRUDYFQX-UHFFFAOYSA-N 1 2 273.332 1.481 20 30 CDEDLO COCCn1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)cn1 ZINC000612407186 347150104 /nfs/dbraw/zinc/15/01/04/347150104.db2.gz ZXNMOQCSZBEUGG-CQSZACIVSA-N 1 2 262.357 1.655 20 30 CDEDLO COCCn1cc(C[N@H+]2CCC[C@](C)(C#N)C2)cn1 ZINC000612407186 347150108 /nfs/dbraw/zinc/15/01/08/347150108.db2.gz ZXNMOQCSZBEUGG-CQSZACIVSA-N 1 2 262.357 1.655 20 30 CDEDLO C#CC[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000086230665 179254322 /nfs/dbraw/zinc/25/43/22/179254322.db2.gz PLHOPODNLBZOEG-UHFFFAOYSA-N 1 2 254.284 1.029 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CSC2CCC2)CC1 ZINC000491652151 347585223 /nfs/dbraw/zinc/58/52/23/347585223.db2.gz ACUPPRWJGXYBFR-UHFFFAOYSA-N 1 2 252.383 1.050 20 30 CDEDLO C=C[C@@H](NCC[N@@H+]1CCc2sccc2C1)C(=O)OC ZINC000619700932 347870048 /nfs/dbraw/zinc/87/00/48/347870048.db2.gz QHZCCAGWXJHTTI-GFCCVEGCSA-N 1 2 280.393 1.423 20 30 CDEDLO C=C[C@@H](NCC[N@H+]1CCc2sccc2C1)C(=O)OC ZINC000619700932 347870050 /nfs/dbraw/zinc/87/00/50/347870050.db2.gz QHZCCAGWXJHTTI-GFCCVEGCSA-N 1 2 280.393 1.423 20 30 CDEDLO C=C[C@@H](O)C(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000614522228 348134262 /nfs/dbraw/zinc/13/42/62/348134262.db2.gz FXOAZAKXTYGRDR-CHWSQXEVSA-N 1 2 280.755 1.360 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000619716561 348181051 /nfs/dbraw/zinc/18/10/51/348181051.db2.gz UQKICXLFMVALRI-OAHLLOKOSA-N 1 2 299.374 1.798 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000619716561 348181052 /nfs/dbraw/zinc/18/10/52/348181052.db2.gz UQKICXLFMVALRI-OAHLLOKOSA-N 1 2 299.374 1.798 20 30 CDEDLO N#Cc1c[nH][nH]c1=NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000601637939 349982802 /nfs/dbraw/zinc/98/28/02/349982802.db2.gz CFJMUCFDCALRGK-LBPRGKRZSA-N 1 2 273.340 1.049 20 30 CDEDLO N#Cc1c[nH][nH]c1=NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000601637939 349982808 /nfs/dbraw/zinc/98/28/08/349982808.db2.gz CFJMUCFDCALRGK-LBPRGKRZSA-N 1 2 273.340 1.049 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000336101733 362914911 /nfs/dbraw/zinc/91/49/11/362914911.db2.gz JGRFYBDKDRVPRR-QWHCGFSZSA-N 1 2 252.358 1.274 20 30 CDEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccsc1 ZINC000615223676 348397842 /nfs/dbraw/zinc/39/78/42/348397842.db2.gz HIIAGAPKPBNAEB-UHFFFAOYSA-N 1 2 263.366 1.742 20 30 CDEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccsc1 ZINC000615223676 348397843 /nfs/dbraw/zinc/39/78/43/348397843.db2.gz HIIAGAPKPBNAEB-UHFFFAOYSA-N 1 2 263.366 1.742 20 30 CDEDLO CC[C@H](C(=O)N=c1[nH][nH]c(C)c1C#N)[NH+](CC)CC ZINC000601678147 349989723 /nfs/dbraw/zinc/98/97/23/349989723.db2.gz CZZHJOWOJDIFNG-LLVKDONJSA-N 1 2 263.345 1.071 20 30 CDEDLO C=CCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000029657492 348671978 /nfs/dbraw/zinc/67/19/78/348671978.db2.gz GZGXGBRABXHRFU-UHFFFAOYSA-N 1 2 289.379 1.504 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccon3)CC2)cc1 ZINC000067705669 349033763 /nfs/dbraw/zinc/03/37/63/349033763.db2.gz PPAFKCWGZITWGI-UHFFFAOYSA-N 1 2 296.330 1.504 20 30 CDEDLO N#CCC1(O)CN(Cc2c[nH+]c3ccc(Cl)cn23)C1 ZINC000616140839 349309395 /nfs/dbraw/zinc/30/93/95/349309395.db2.gz PIDLAOYNQPZKEO-UHFFFAOYSA-N 1 2 276.727 1.448 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602439220 350109518 /nfs/dbraw/zinc/10/95/18/350109518.db2.gz JGNLCWNUKLTHJM-ZDUSSCGKSA-N 1 2 258.325 1.054 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602439220 350109520 /nfs/dbraw/zinc/10/95/20/350109520.db2.gz JGNLCWNUKLTHJM-ZDUSSCGKSA-N 1 2 258.325 1.054 20 30 CDEDLO N#Cc1cccc(C[NH+]2CCN(c3ncc(F)cn3)CC2)n1 ZINC000602615888 350132459 /nfs/dbraw/zinc/13/24/59/350132459.db2.gz IYZDBJFPNXQODU-UHFFFAOYSA-N 1 2 298.325 1.205 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@H]2C2CCC2)n1 ZINC000602697971 350141764 /nfs/dbraw/zinc/14/17/64/350141764.db2.gz RNPBRHULPOPDCJ-HNNXBMFYSA-N 1 2 257.337 1.954 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCOC[C@H]2C2CCC2)n1 ZINC000602697971 350141766 /nfs/dbraw/zinc/14/17/66/350141766.db2.gz RNPBRHULPOPDCJ-HNNXBMFYSA-N 1 2 257.337 1.954 20 30 CDEDLO COCC[C@H]1COCC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000291277493 197976442 /nfs/dbraw/zinc/97/64/42/197976442.db2.gz OJBNOUMVDAGLML-HNNXBMFYSA-N 1 2 290.363 1.804 20 30 CDEDLO COCC[C@H]1COCC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000291277493 197976443 /nfs/dbraw/zinc/97/64/43/197976443.db2.gz OJBNOUMVDAGLML-HNNXBMFYSA-N 1 2 290.363 1.804 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCCC[C@H]2C(N)=O)ccc1F ZINC000160538153 188479637 /nfs/dbraw/zinc/47/96/37/188479637.db2.gz YNISKXAXJAIMOC-ZDUSSCGKSA-N 1 2 261.300 1.537 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCCC[C@H]2C(N)=O)ccc1F ZINC000160538153 188479638 /nfs/dbraw/zinc/47/96/38/188479638.db2.gz YNISKXAXJAIMOC-ZDUSSCGKSA-N 1 2 261.300 1.537 20 30 CDEDLO Cc1ccc(/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C)nc1 ZINC000493217091 366203709 /nfs/dbraw/zinc/20/37/09/366203709.db2.gz CKAXHPVUQNJKTF-MVGZEHJDSA-N 1 2 272.352 1.363 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CC[S@](=O)C1 ZINC000336313781 356144047 /nfs/dbraw/zinc/14/40/47/356144047.db2.gz IYCDQXAKNYQWMQ-WYRIXSBYSA-N 1 2 280.368 1.898 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC[S@](=O)C1 ZINC000336313781 356144050 /nfs/dbraw/zinc/14/40/50/356144050.db2.gz IYCDQXAKNYQWMQ-WYRIXSBYSA-N 1 2 280.368 1.898 20 30 CDEDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000336547837 356204198 /nfs/dbraw/zinc/20/41/98/356204198.db2.gz HYONFMLSTMQUMM-CQSZACIVSA-N 1 2 257.337 1.577 20 30 CDEDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000336547837 356204202 /nfs/dbraw/zinc/20/42/02/356204202.db2.gz HYONFMLSTMQUMM-CQSZACIVSA-N 1 2 257.337 1.577 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000175485767 356588047 /nfs/dbraw/zinc/58/80/47/356588047.db2.gz VOXIUGABTYIIGK-GFCCVEGCSA-N 1 2 269.308 1.977 20 30 CDEDLO Cn1ccnc1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344129903 356910870 /nfs/dbraw/zinc/91/08/70/356910870.db2.gz VGQCGPIMJCUNTN-UHFFFAOYSA-N 1 2 284.363 1.940 20 30 CDEDLO Cn1ccnc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344129903 356910873 /nfs/dbraw/zinc/91/08/73/356910873.db2.gz VGQCGPIMJCUNTN-UHFFFAOYSA-N 1 2 284.363 1.940 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000299333740 357028759 /nfs/dbraw/zinc/02/87/59/357028759.db2.gz PXVGSFKVINUEBC-QLFBSQMISA-N 1 2 260.381 1.733 20 30 CDEDLO Cc1cc(NCCNC(=O)NC2CCCCC2)nc[nH+]1 ZINC000329214115 227355404 /nfs/dbraw/zinc/35/54/04/227355404.db2.gz KPUHFCPAUZBVBT-UHFFFAOYSA-N 1 2 277.372 1.455 20 30 CDEDLO COc1ccc(C[N@@H+]2CCC[C@]23CCOC3=O)cc1C#N ZINC000186688793 357675404 /nfs/dbraw/zinc/67/54/04/357675404.db2.gz ILWDUXWDVNVONB-MRXNPFEDSA-N 1 2 286.331 1.848 20 30 CDEDLO COc1ccc(C[N@H+]2CCC[C@]23CCOC3=O)cc1C#N ZINC000186688793 357675406 /nfs/dbraw/zinc/67/54/06/357675406.db2.gz ILWDUXWDVNVONB-MRXNPFEDSA-N 1 2 286.331 1.848 20 30 CDEDLO N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000336030601 358051932 /nfs/dbraw/zinc/05/19/32/358051932.db2.gz LARJRGIPMNZCBP-QWRGUYRKSA-N 1 2 259.313 1.101 20 30 CDEDLO N#CCc1ccccc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000601470127 358275674 /nfs/dbraw/zinc/27/56/74/358275674.db2.gz ZIFNDIYKVFDTOY-CYBMUJFWSA-N 1 2 280.331 1.694 20 30 CDEDLO CCC[N@H+](CC(=O)NC)Cc1cc(C#N)ccc1OC ZINC000130432559 358310147 /nfs/dbraw/zinc/31/01/47/358310147.db2.gz WYXKDQMSCPSWDC-UHFFFAOYSA-N 1 2 275.352 1.525 20 30 CDEDLO CCC[N@@H+](CC(=O)NC)Cc1cc(C#N)ccc1OC ZINC000130432559 358310149 /nfs/dbraw/zinc/31/01/49/358310149.db2.gz WYXKDQMSCPSWDC-UHFFFAOYSA-N 1 2 275.352 1.525 20 30 CDEDLO Cc1cccn2cc(CC(=O)NC[C@@H](C)C#N)[nH+]c12 ZINC000518420640 358340392 /nfs/dbraw/zinc/34/03/92/358340392.db2.gz GBOFYNCIBJIICY-JTQLQIEISA-N 1 2 256.309 1.461 20 30 CDEDLO COC(=O)c1cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cs1 ZINC000592152985 358588446 /nfs/dbraw/zinc/58/84/46/358588446.db2.gz HEOLEEFKIVNNJR-ZDUSSCGKSA-N 1 2 280.349 1.385 20 30 CDEDLO COC(=O)c1cc(C[N@H+]2CC[C@@](O)(CC#N)C2)cs1 ZINC000592152985 358588449 /nfs/dbraw/zinc/58/84/49/358588449.db2.gz HEOLEEFKIVNNJR-ZDUSSCGKSA-N 1 2 280.349 1.385 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000287567228 358850926 /nfs/dbraw/zinc/85/09/26/358850926.db2.gz XDQCMLHNFJFUTQ-ZIAGYGMSSA-N 1 2 280.755 1.529 20 30 CDEDLO COCC[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1OC ZINC000291188070 358892423 /nfs/dbraw/zinc/89/24/23/358892423.db2.gz INDHIMBZOIXUNL-HNNXBMFYSA-N 1 2 290.363 1.804 20 30 CDEDLO COCC[C@H]1COCC[N@H+]1Cc1ccc(C#N)cc1OC ZINC000291188070 358892427 /nfs/dbraw/zinc/89/24/27/358892427.db2.gz INDHIMBZOIXUNL-HNNXBMFYSA-N 1 2 290.363 1.804 20 30 CDEDLO C#CCSCCNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000265749064 359334619 /nfs/dbraw/zinc/33/46/19/359334619.db2.gz HCOGBELEBHSHRB-UHFFFAOYSA-N 1 2 292.408 1.313 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)[C@H]1COCC[N@H+]1CC ZINC000637182671 359345092 /nfs/dbraw/zinc/34/50/92/359345092.db2.gz UDZRJWWHXQBJRA-QWHCGFSZSA-N 1 2 252.358 1.274 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)[C@H]1COCC[N@@H+]1CC ZINC000637182671 359345093 /nfs/dbraw/zinc/34/50/93/359345093.db2.gz UDZRJWWHXQBJRA-QWHCGFSZSA-N 1 2 252.358 1.274 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000266918588 359346481 /nfs/dbraw/zinc/34/64/81/359346481.db2.gz LFXSFYOQWOTIGL-UHFFFAOYSA-N 1 2 287.363 1.282 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000266918588 359346483 /nfs/dbraw/zinc/34/64/83/359346483.db2.gz LFXSFYOQWOTIGL-UHFFFAOYSA-N 1 2 287.363 1.282 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccccc1OCC ZINC000266944656 359346745 /nfs/dbraw/zinc/34/67/45/359346745.db2.gz SABWWDDAOLFEEU-UHFFFAOYSA-N 1 2 260.337 1.979 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccccc1OCC ZINC000266944656 359346749 /nfs/dbraw/zinc/34/67/49/359346749.db2.gz SABWWDDAOLFEEU-UHFFFAOYSA-N 1 2 260.337 1.979 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270830773 359412866 /nfs/dbraw/zinc/41/28/66/359412866.db2.gz CODPBZNYEQXEIM-JTQLQIEISA-N 1 2 273.174 1.592 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270830773 359412869 /nfs/dbraw/zinc/41/28/69/359412869.db2.gz CODPBZNYEQXEIM-JTQLQIEISA-N 1 2 273.174 1.592 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277075372 359556523 /nfs/dbraw/zinc/55/65/23/359556523.db2.gz DYMXWEGDHLJBRL-LAPQFRIASA-N 1 2 298.452 1.418 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277075372 359556527 /nfs/dbraw/zinc/55/65/27/359556527.db2.gz DYMXWEGDHLJBRL-LAPQFRIASA-N 1 2 298.452 1.418 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)NCC(C)C)n1 ZINC000279718343 359595164 /nfs/dbraw/zinc/59/51/64/359595164.db2.gz LJLWHKNBSCSKIO-AWEZNQCLSA-N 1 2 290.411 1.499 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)NCC(C)C)n1 ZINC000279718343 359595165 /nfs/dbraw/zinc/59/51/65/359595165.db2.gz LJLWHKNBSCSKIO-AWEZNQCLSA-N 1 2 290.411 1.499 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1nc2ccccc2s1 ZINC000027405626 359720833 /nfs/dbraw/zinc/72/08/33/359720833.db2.gz COKOHKBRIVOXNL-LLVKDONJSA-N 1 2 287.388 1.866 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000027405626 359720836 /nfs/dbraw/zinc/72/08/36/359720836.db2.gz COKOHKBRIVOXNL-LLVKDONJSA-N 1 2 287.388 1.866 20 30 CDEDLO C[C@@H](CC(=O)N1CCSC[C@H]1C#N)n1cc[nH+]c1 ZINC000570519189 363699935 /nfs/dbraw/zinc/69/99/35/363699935.db2.gz DKJWHGXYVVXALR-WDEREUQCSA-N 1 2 264.354 1.302 20 30 CDEDLO C[C@]1(F)CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000335326645 359915130 /nfs/dbraw/zinc/91/51/30/359915130.db2.gz GXRVKXXBTVWUGZ-ZDUSSCGKSA-N 1 2 267.348 1.763 20 30 CDEDLO C[C@]1(F)CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000335326645 359915133 /nfs/dbraw/zinc/91/51/33/359915133.db2.gz GXRVKXXBTVWUGZ-ZDUSSCGKSA-N 1 2 267.348 1.763 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(C)cn2)C1=O ZINC000337203560 360025220 /nfs/dbraw/zinc/02/52/20/360025220.db2.gz GNXBRNVDNOHMAJ-ZDUSSCGKSA-N 1 2 260.341 1.004 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(C)cn2)C1=O ZINC000337203560 360025221 /nfs/dbraw/zinc/02/52/21/360025221.db2.gz GNXBRNVDNOHMAJ-ZDUSSCGKSA-N 1 2 260.341 1.004 20 30 CDEDLO CC[C@@H](C)[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC(=O)OC ZINC000337239083 360040701 /nfs/dbraw/zinc/04/07/01/360040701.db2.gz MRAOAKQNSYZSRW-IAQYHMDHSA-N 1 2 295.383 1.068 20 30 CDEDLO CC[C@@H](C)[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC(=O)OC ZINC000337239083 360040707 /nfs/dbraw/zinc/04/07/07/360040707.db2.gz MRAOAKQNSYZSRW-IAQYHMDHSA-N 1 2 295.383 1.068 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)c2ncc(C)o2)C1=O ZINC000337239933 360042426 /nfs/dbraw/zinc/04/24/26/360042426.db2.gz ZZFDORFHDBWQBR-RYUDHWBXSA-N 1 2 263.341 1.763 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)c2ncc(C)o2)C1=O ZINC000337239933 360042428 /nfs/dbraw/zinc/04/24/28/360042428.db2.gz ZZFDORFHDBWQBR-RYUDHWBXSA-N 1 2 263.341 1.763 20 30 CDEDLO CC[C@@H](C)[N@H+](CC(=O)OC)CC(=O)N(CC)C[C@H](C)C#N ZINC000337257057 360053252 /nfs/dbraw/zinc/05/32/52/360053252.db2.gz UHBVECYSXNEFLC-CHWSQXEVSA-N 1 2 297.399 1.268 20 30 CDEDLO CC[C@@H](C)[N@@H+](CC(=O)OC)CC(=O)N(CC)C[C@H](C)C#N ZINC000337257057 360053256 /nfs/dbraw/zinc/05/32/56/360053256.db2.gz UHBVECYSXNEFLC-CHWSQXEVSA-N 1 2 297.399 1.268 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1ncc(Br)s1 ZINC000308155854 360130039 /nfs/dbraw/zinc/13/00/39/360130039.db2.gz ASDZXRNYHQQAMJ-ZCFIWIBFSA-N 1 2 263.160 1.542 20 30 CDEDLO CNC(=O)[C@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000178922153 189154956 /nfs/dbraw/zinc/15/49/56/189154956.db2.gz XFZBXOKGEYMWCD-CQSZACIVSA-N 1 2 276.767 1.902 20 30 CDEDLO CNC(=O)[C@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000178922153 189154957 /nfs/dbraw/zinc/15/49/57/189154957.db2.gz XFZBXOKGEYMWCD-CQSZACIVSA-N 1 2 276.767 1.902 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(CC#N)cc1 ZINC000349903501 360960654 /nfs/dbraw/zinc/96/06/54/360960654.db2.gz GZHYNZJFFBIGDC-UHFFFAOYSA-N 1 2 269.308 1.808 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C[C@@H](C)O1 ZINC000247599418 361144715 /nfs/dbraw/zinc/14/47/15/361144715.db2.gz OXGYAHCOWXKGTB-KYOSRNDESA-N 1 2 279.384 1.294 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C[C@@H](C)O1 ZINC000247599418 361144722 /nfs/dbraw/zinc/14/47/22/361144722.db2.gz OXGYAHCOWXKGTB-KYOSRNDESA-N 1 2 279.384 1.294 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)c1cc(C#N)cs1 ZINC000267611552 361204737 /nfs/dbraw/zinc/20/47/37/361204737.db2.gz HVTFSZZAGLGOOD-UHFFFAOYSA-N 1 2 260.322 1.625 20 30 CDEDLO Cn1cc(N2CCC[C@H]([N@H+](C)CC(C)(C)C#N)C2=O)cn1 ZINC000433295194 361228455 /nfs/dbraw/zinc/22/84/55/361228455.db2.gz CLNXTCKXRCKICV-ZDUSSCGKSA-N 1 2 289.383 1.397 20 30 CDEDLO Cn1cc(N2CCC[C@H]([N@@H+](C)CC(C)(C)C#N)C2=O)cn1 ZINC000433295194 361228463 /nfs/dbraw/zinc/22/84/63/361228463.db2.gz CLNXTCKXRCKICV-ZDUSSCGKSA-N 1 2 289.383 1.397 20 30 CDEDLO COC(=O)C[C@@H]1C[N@@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000267707000 361335199 /nfs/dbraw/zinc/33/51/99/361335199.db2.gz VTIVAUCKIIGJCW-IUODEOHRSA-N 1 2 288.347 1.883 20 30 CDEDLO COC(=O)C[C@@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000267707000 361335203 /nfs/dbraw/zinc/33/52/03/361335203.db2.gz VTIVAUCKIIGJCW-IUODEOHRSA-N 1 2 288.347 1.883 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@H](C2CC2)C1 ZINC000329617267 361584616 /nfs/dbraw/zinc/58/46/16/361584616.db2.gz QCTDEVOJOCALMW-NWDGAFQWSA-N 1 2 274.368 1.913 20 30 CDEDLO COc1cc(C#N)ccc1NC(=O)N(C)Cc1[nH+]ccn1C ZINC000545295642 363925036 /nfs/dbraw/zinc/92/50/36/363925036.db2.gz FISDJCRCOYTOEN-UHFFFAOYSA-N 1 2 299.334 1.964 20 30 CDEDLO Cn1ncc2c1CCC[N@H+](Cc1ccc(C#N)cn1)C2 ZINC000581892637 364050260 /nfs/dbraw/zinc/05/02/60/364050260.db2.gz RLIQPWWAWWMTOE-UHFFFAOYSA-N 1 2 267.336 1.635 20 30 CDEDLO Cn1ncc2c1CCC[N@@H+](Cc1ccc(C#N)cn1)C2 ZINC000581892637 364050262 /nfs/dbraw/zinc/05/02/62/364050262.db2.gz RLIQPWWAWWMTOE-UHFFFAOYSA-N 1 2 267.336 1.635 20 30 CDEDLO C[C@H]1CC[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CC1 ZINC000574919932 364167656 /nfs/dbraw/zinc/16/76/56/364167656.db2.gz QYOLMEWEWSNTDA-OBJOEFQTSA-N 1 2 251.374 1.773 20 30 CDEDLO CCC[N@H+](CC(=O)N(C)C)Cc1ccccc1C#N ZINC000042267631 364551686 /nfs/dbraw/zinc/55/16/86/364551686.db2.gz KXCYUIXUXRARAA-UHFFFAOYSA-N 1 2 259.353 1.858 20 30 CDEDLO CCC[N@@H+](CC(=O)N(C)C)Cc1ccccc1C#N ZINC000042267631 364551693 /nfs/dbraw/zinc/55/16/93/364551693.db2.gz KXCYUIXUXRARAA-UHFFFAOYSA-N 1 2 259.353 1.858 20 30 CDEDLO CCC[N@H+](CC(=O)N(C)C)Cc1cc(C#N)ccc1F ZINC000042267654 364552035 /nfs/dbraw/zinc/55/20/35/364552035.db2.gz TYASUVVIXXNLNU-UHFFFAOYSA-N 1 2 277.343 1.998 20 30 CDEDLO CCC[N@@H+](CC(=O)N(C)C)Cc1cc(C#N)ccc1F ZINC000042267654 364552041 /nfs/dbraw/zinc/55/20/41/364552041.db2.gz TYASUVVIXXNLNU-UHFFFAOYSA-N 1 2 277.343 1.998 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000042422120 364583567 /nfs/dbraw/zinc/58/35/67/364583567.db2.gz GPCCRIRRDTZZFZ-AWEZNQCLSA-N 1 2 275.327 1.798 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000042422120 364583574 /nfs/dbraw/zinc/58/35/74/364583574.db2.gz GPCCRIRRDTZZFZ-AWEZNQCLSA-N 1 2 275.327 1.798 20 30 CDEDLO C=C[C@@H](C)Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000302921136 364600442 /nfs/dbraw/zinc/60/04/42/364600442.db2.gz ZXKCAZDIQMMGTE-VXGBXAGGSA-N 1 2 262.357 1.814 20 30 CDEDLO C=C[C@@H](C)Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000302921136 364600443 /nfs/dbraw/zinc/60/04/43/364600443.db2.gz ZXKCAZDIQMMGTE-VXGBXAGGSA-N 1 2 262.357 1.814 20 30 CDEDLO CCc1nn(C)cc1CNc1cc(C)[nH+]cc1C#N ZINC000399398613 364755744 /nfs/dbraw/zinc/75/57/44/364755744.db2.gz QXXJKBCZYJDZKA-UHFFFAOYSA-N 1 2 255.325 1.592 20 30 CDEDLO N#CC1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000171680365 365357552 /nfs/dbraw/zinc/35/75/52/365357552.db2.gz UASWMQNOPAWVIF-UHFFFAOYSA-N 1 2 254.293 1.710 20 30 CDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cc(F)ccc1F ZINC000171820557 365397461 /nfs/dbraw/zinc/39/74/61/365397461.db2.gz IVDCGUSORNLDRY-UHFFFAOYSA-N 1 2 285.294 1.668 20 30 CDEDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000564728546 365516506 /nfs/dbraw/zinc/51/65/06/365516506.db2.gz CMBACVDIURNCMX-RISCZKNCSA-N 1 2 285.351 1.600 20 30 CDEDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000564728546 365516512 /nfs/dbraw/zinc/51/65/12/365516512.db2.gz CMBACVDIURNCMX-RISCZKNCSA-N 1 2 285.351 1.600 20 30 CDEDLO CN1CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C(C)(C)C1=O ZINC000094865833 367315743 /nfs/dbraw/zinc/31/57/43/367315743.db2.gz OXKFDEFDXFTSOQ-CQSZACIVSA-N 1 2 287.363 1.144 20 30 CDEDLO CN1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C(C)(C)C1=O ZINC000094865833 367315747 /nfs/dbraw/zinc/31/57/47/367315747.db2.gz OXKFDEFDXFTSOQ-CQSZACIVSA-N 1 2 287.363 1.144 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2C(N)=O)cc1F ZINC000191917048 367316603 /nfs/dbraw/zinc/31/66/03/367316603.db2.gz NYITZIMZDGLERG-ZDUSSCGKSA-N 1 2 261.300 1.537 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2C(N)=O)cc1F ZINC000191917048 367316609 /nfs/dbraw/zinc/31/66/09/367316609.db2.gz NYITZIMZDGLERG-ZDUSSCGKSA-N 1 2 261.300 1.537 20 30 CDEDLO N#CC1(F)CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000358301562 367585039 /nfs/dbraw/zinc/58/50/39/367585039.db2.gz QLCFDYHIJOSEJL-SNVBAGLBSA-N 1 2 291.330 1.304 20 30 CDEDLO N#CC1(F)CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000358301562 367585045 /nfs/dbraw/zinc/58/50/45/367585045.db2.gz QLCFDYHIJOSEJL-SNVBAGLBSA-N 1 2 291.330 1.304 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000272499217 367744294 /nfs/dbraw/zinc/74/42/94/367744294.db2.gz DFTCLKGRCPSZNK-UGFHNGPFSA-N 1 2 288.347 1.475 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000272499217 367744300 /nfs/dbraw/zinc/74/43/00/367744300.db2.gz DFTCLKGRCPSZNK-UGFHNGPFSA-N 1 2 288.347 1.475 20 30 CDEDLO N#CCC1(O)C[NH+](Cc2cccc(-n3cccn3)c2)C1 ZINC000530411511 368190004 /nfs/dbraw/zinc/19/00/04/368190004.db2.gz MCHPTPUJBMBZBG-UHFFFAOYSA-N 1 2 268.320 1.333 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000565373542 370433983 /nfs/dbraw/zinc/43/39/83/370433983.db2.gz HCNDUTDYSJJSLV-WDEREUQCSA-N 1 2 260.328 1.950 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCc1[nH+]ccn1CC)OCC ZINC000295590340 371357698 /nfs/dbraw/zinc/35/76/98/371357698.db2.gz HTTIFIWKWRRSDP-LBPRGKRZSA-N 1 2 265.357 1.891 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CCCSC1 ZINC000577956366 372193481 /nfs/dbraw/zinc/19/34/81/372193481.db2.gz ZIZDBQUNLVYPMV-JQWIXIFHSA-N 1 2 255.387 1.090 20 30 CDEDLO C[N@H+](CC#N)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181678817 372579388 /nfs/dbraw/zinc/57/93/88/372579388.db2.gz PABFGXDLCOEGKB-UHFFFAOYSA-N 1 2 251.374 1.726 20 30 CDEDLO C[N@@H+](CC#N)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181678817 372579397 /nfs/dbraw/zinc/57/93/97/372579397.db2.gz PABFGXDLCOEGKB-UHFFFAOYSA-N 1 2 251.374 1.726 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042242608 372945421 /nfs/dbraw/zinc/94/54/21/372945421.db2.gz WQWCURGUVYRANN-HZSPNIEDSA-N 1 2 268.401 1.909 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042242608 372945423 /nfs/dbraw/zinc/94/54/23/372945423.db2.gz WQWCURGUVYRANN-HZSPNIEDSA-N 1 2 268.401 1.909 20 30 CDEDLO Cn1nccc1C[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000348365760 373119946 /nfs/dbraw/zinc/11/99/46/373119946.db2.gz PFJPPKSSPMPEIG-UHFFFAOYSA-N 1 2 297.362 1.040 20 30 CDEDLO Cn1nccc1C[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000348365760 373119955 /nfs/dbraw/zinc/11/99/55/373119955.db2.gz PFJPPKSSPMPEIG-UHFFFAOYSA-N 1 2 297.362 1.040 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1CCCN(CC)C(=O)C1 ZINC000191539707 373513832 /nfs/dbraw/zinc/51/38/32/373513832.db2.gz HVSVRXFEINTYGT-UHFFFAOYSA-N 1 2 286.375 1.753 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1CCCN(CC)C(=O)C1 ZINC000191539707 373513841 /nfs/dbraw/zinc/51/38/41/373513841.db2.gz HVSVRXFEINTYGT-UHFFFAOYSA-N 1 2 286.375 1.753 20 30 CDEDLO N#CCSCCC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000610410142 373734611 /nfs/dbraw/zinc/73/46/11/373734611.db2.gz NWVFFBUTKKGFAA-VIFPVBQESA-N 1 2 268.304 1.896 20 30 CDEDLO N#CCSCCC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000610410142 373734621 /nfs/dbraw/zinc/73/46/21/373734621.db2.gz NWVFFBUTKKGFAA-VIFPVBQESA-N 1 2 268.304 1.896 20 30 CDEDLO CN(Cc1[nH+]ccn1C)c1cc(C#N)ccc1[N+](=O)[O-] ZINC000302217155 373944046 /nfs/dbraw/zinc/94/40/46/373944046.db2.gz PQQVXZOFNAXQQV-UHFFFAOYSA-N 1 2 271.280 1.836 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)Nc1nc2ccccn2c1C#N ZINC000357319627 373906976 /nfs/dbraw/zinc/90/69/76/373906976.db2.gz VQIFDFFHELMOEF-LLVKDONJSA-N 1 2 266.308 1.903 20 30 CDEDLO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ncn(C)n1 ZINC000361841301 374054203 /nfs/dbraw/zinc/05/42/03/374054203.db2.gz CUBNUZQRFGYYKV-SECBINFHSA-N 1 2 259.288 1.677 20 30 CDEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCCOCC2)C1=O ZINC000370237305 374386432 /nfs/dbraw/zinc/38/64/32/374386432.db2.gz YXIFEBPYDPSWOF-GFCCVEGCSA-N 1 2 291.376 1.447 20 30 CDEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCCOCC2)C1=O ZINC000370237305 374386439 /nfs/dbraw/zinc/38/64/39/374386439.db2.gz YXIFEBPYDPSWOF-GFCCVEGCSA-N 1 2 291.376 1.447 20 30 CDEDLO COC(=O)C1(C)C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000425375299 374436711 /nfs/dbraw/zinc/43/67/11/374436711.db2.gz SKXBDFJRXAZWMR-UHFFFAOYSA-N 1 2 262.284 1.692 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000080907183 374484395 /nfs/dbraw/zinc/48/43/95/374484395.db2.gz QUFWANGEDBLZBO-INIZCTEOSA-N 1 2 299.374 1.495 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C[C@@H](C2CC2)O1 ZINC000332931545 374635414 /nfs/dbraw/zinc/63/54/14/374635414.db2.gz WNUZNUCDYWUTIV-WPGHFRTFSA-N 1 2 291.395 1.294 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C[C@@H](C2CC2)O1 ZINC000332931545 374635421 /nfs/dbraw/zinc/63/54/21/374635421.db2.gz WNUZNUCDYWUTIV-WPGHFRTFSA-N 1 2 291.395 1.294 20 30 CDEDLO N#Cc1ccc(NCC2([NH+]3CCOCC3)CC2)cn1 ZINC000277563947 374796231 /nfs/dbraw/zinc/79/62/31/374796231.db2.gz ZAHXOWHPNHGHDH-UHFFFAOYSA-N 1 2 258.325 1.230 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)C(=O)N1CCCCCC1 ZINC000042324477 374826796 /nfs/dbraw/zinc/82/67/96/374826796.db2.gz KIUGGINHVBVYTD-STQMWFEESA-N 1 2 251.374 1.869 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)N1CCCCCC1 ZINC000042324477 374826802 /nfs/dbraw/zinc/82/68/02/374826802.db2.gz KIUGGINHVBVYTD-STQMWFEESA-N 1 2 251.374 1.869 20 30 CDEDLO C=CCNC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000125416332 374933207 /nfs/dbraw/zinc/93/32/07/374933207.db2.gz SYNHGGJWPZXVOL-GFCCVEGCSA-N 1 2 260.341 1.536 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000020677858 374986878 /nfs/dbraw/zinc/98/68/78/374986878.db2.gz FQQADJWXMVJDJU-ZDUSSCGKSA-N 1 2 264.350 1.177 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000020677858 374986882 /nfs/dbraw/zinc/98/68/82/374986882.db2.gz FQQADJWXMVJDJU-ZDUSSCGKSA-N 1 2 264.350 1.177 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCc2cncnc2C1 ZINC000332516499 375036099 /nfs/dbraw/zinc/03/60/99/375036099.db2.gz KFSNUAGPKSGKMR-UHFFFAOYSA-N 1 2 280.331 1.915 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCc2cncnc2C1 ZINC000332516499 375036105 /nfs/dbraw/zinc/03/61/05/375036105.db2.gz KFSNUAGPKSGKMR-UHFFFAOYSA-N 1 2 280.331 1.915 20 30 CDEDLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000335697568 375146865 /nfs/dbraw/zinc/14/68/65/375146865.db2.gz NTZATICRNJWZKO-KPZWWZAWSA-N 1 2 262.378 1.901 20 30 CDEDLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000335697568 375146870 /nfs/dbraw/zinc/14/68/70/375146870.db2.gz NTZATICRNJWZKO-KPZWWZAWSA-N 1 2 262.378 1.901 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)nn1C ZINC000428780696 247363164 /nfs/dbraw/zinc/36/31/64/247363164.db2.gz IDPHVWSICVGFIV-HNNXBMFYSA-N 1 2 297.362 1.649 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)nn1C ZINC000428780696 247363166 /nfs/dbraw/zinc/36/31/66/247363166.db2.gz IDPHVWSICVGFIV-HNNXBMFYSA-N 1 2 297.362 1.649 20 30 CDEDLO Cc1cn2cc(NC(=O)N3CC[C@H](O)C3)ccc2[nH+]1 ZINC000328612604 375894431 /nfs/dbraw/zinc/89/44/31/375894431.db2.gz POICVOAOQKRBGK-NSHDSACASA-N 1 2 260.297 1.255 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H](C)CC(=O)N1 ZINC000328790850 375970972 /nfs/dbraw/zinc/97/09/72/375970972.db2.gz YZSQCERJZQMFEX-TUAOUCFPSA-N 1 2 283.372 1.419 20 30 CDEDLO CCc1[nH+]c2ccccc2n1CC(=O)N(CC#N)CC#N ZINC000195452790 375997046 /nfs/dbraw/zinc/99/70/46/375997046.db2.gz CQTAWILQKPHCHK-UHFFFAOYSA-N 1 2 281.319 1.474 20 30 CDEDLO C[C@@H]1CC(=O)N[C@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000328880702 375999565 /nfs/dbraw/zinc/99/95/65/375999565.db2.gz VZHHZCSKWMDMRI-DCAQKATOSA-N 1 2 269.345 1.029 20 30 CDEDLO C[C@@H]1CC(=O)N[C@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000328880702 375999573 /nfs/dbraw/zinc/99/95/73/375999573.db2.gz VZHHZCSKWMDMRI-DCAQKATOSA-N 1 2 269.345 1.029 20 30 CDEDLO O=C(CN1CCCCCC1=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000328934193 376012245 /nfs/dbraw/zinc/01/22/45/376012245.db2.gz IWBJPRBAXUXYRE-NSHDSACASA-N 1 2 290.367 1.626 20 30 CDEDLO O=C(CN1CCCCCC1=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000328934193 376012255 /nfs/dbraw/zinc/01/22/55/376012255.db2.gz IWBJPRBAXUXYRE-NSHDSACASA-N 1 2 290.367 1.626 20 30 CDEDLO C=CC[N@@H+](C[C@@H](CC(C)C)OC)[C@H]1CCS(=O)(=O)C1 ZINC000419231517 376102963 /nfs/dbraw/zinc/10/29/63/376102963.db2.gz ZYICKZSNGAAOQH-UONOGXRCSA-N 1 2 289.441 1.723 20 30 CDEDLO C=CC[N@H+](C[C@@H](CC(C)C)OC)[C@H]1CCS(=O)(=O)C1 ZINC000419231517 376102968 /nfs/dbraw/zinc/10/29/68/376102968.db2.gz ZYICKZSNGAAOQH-UONOGXRCSA-N 1 2 289.441 1.723 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420944837 376486708 /nfs/dbraw/zinc/48/67/08/376486708.db2.gz SKWRJQDVKKTSMN-KBPBESRZSA-N 1 2 298.427 1.271 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420944837 376486711 /nfs/dbraw/zinc/48/67/11/376486711.db2.gz SKWRJQDVKKTSMN-KBPBESRZSA-N 1 2 298.427 1.271 20 30 CDEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)C(C)(C)C1 ZINC000435444857 248168578 /nfs/dbraw/zinc/16/85/78/248168578.db2.gz BDPLDZHABDZOGJ-UHFFFAOYSA-N 1 2 299.421 1.334 20 30 CDEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)C(C)(C)C1 ZINC000435444857 248168581 /nfs/dbraw/zinc/16/85/81/248168581.db2.gz BDPLDZHABDZOGJ-UHFFFAOYSA-N 1 2 299.421 1.334 20 30 CDEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000172395123 377507620 /nfs/dbraw/zinc/50/76/20/377507620.db2.gz NTSLPXOBDDQJGB-GFCCVEGCSA-N 1 2 293.392 1.196 20 30 CDEDLO N#CC1CC[NH+](CC(=O)NCc2cccs2)CC1 ZINC000057907341 377862339 /nfs/dbraw/zinc/86/23/39/377862339.db2.gz CPGDXPDPRUMIFG-UHFFFAOYSA-N 1 2 263.366 1.600 20 30 CDEDLO C=CC[C@H](CC)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000286245417 378200296 /nfs/dbraw/zinc/20/02/96/378200296.db2.gz KFHKNRSNEJPFIP-QWRGUYRKSA-N 1 2 262.313 1.227 20 30 CDEDLO C=CC[C@H](CC)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000286245417 378200299 /nfs/dbraw/zinc/20/02/99/378200299.db2.gz KFHKNRSNEJPFIP-QWRGUYRKSA-N 1 2 262.313 1.227 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NC(=O)Nc1ccc(C)c(C)c1 ZINC000192239085 378177459 /nfs/dbraw/zinc/17/74/59/378177459.db2.gz DWLABHLKCKSTLK-UHFFFAOYSA-N 1 2 273.336 1.517 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NC(=O)Nc1ccc(C)c(C)c1 ZINC000192239085 378177462 /nfs/dbraw/zinc/17/74/62/378177462.db2.gz DWLABHLKCKSTLK-UHFFFAOYSA-N 1 2 273.336 1.517 20 30 CDEDLO C#Cc1ccccc1CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000291231988 378436544 /nfs/dbraw/zinc/43/65/44/378436544.db2.gz ISMWGGDILFTITD-UHFFFAOYSA-N 1 2 281.359 1.956 20 30 CDEDLO C#CCO[C@H](C)C(=O)OCc1c[nH+]ccc1OC(C)C ZINC000296764663 378747939 /nfs/dbraw/zinc/74/79/39/378747939.db2.gz HYODSSNDXVMJIJ-GFCCVEGCSA-N 1 2 277.320 1.950 20 30 CDEDLO O=C(N[C@@H]1CCCSC1)N1CCn2c[nH+]cc2C1 ZINC000329609390 295379951 /nfs/dbraw/zinc/37/99/51/295379951.db2.gz CWXJUOAPPLRQNH-SNVBAGLBSA-N 1 2 266.370 1.508 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N(C)c1ncccc1C#N ZINC000278895505 194201056 /nfs/dbraw/zinc/20/10/56/194201056.db2.gz QFHYAWJKRGLQSL-GFCCVEGCSA-N 1 2 260.341 1.110 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000662168188 412918588 /nfs/dbraw/zinc/91/85/88/412918588.db2.gz WUJDJAZOPQCXGF-TZMCWYRMSA-N 1 2 278.327 1.282 20 30 CDEDLO CC#CCC[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000289489102 197372119 /nfs/dbraw/zinc/37/21/19/197372119.db2.gz OVWSPFBAJAAWEQ-UHFFFAOYSA-N 1 2 274.393 1.859 20 30 CDEDLO C=CCN1CC[C@@H](Sc2nc(N)cc(CC)[nH+]2)C1=O ZINC000280904073 195022000 /nfs/dbraw/zinc/02/20/00/195022000.db2.gz FBEPGQREBXVLBY-SNVBAGLBSA-N 1 2 278.381 1.500 20 30 CDEDLO C#CCCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000192037052 533009298 /nfs/dbraw/zinc/00/92/98/533009298.db2.gz OVKPHRFLIXGEGJ-UHFFFAOYSA-N 1 2 257.337 1.534 20 30 CDEDLO CN(C)[C@@H](C(=O)NCc1ccc(C#N)cc1)c1c[nH+]cn1C ZINC000281044671 195081990 /nfs/dbraw/zinc/08/19/90/195081990.db2.gz WUSLVXOGVVTIJH-OAHLLOKOSA-N 1 2 297.362 1.211 20 30 CDEDLO N#Cc1cccc(/C=C\C(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000491866033 253107853 /nfs/dbraw/zinc/10/78/53/253107853.db2.gz HIESRNBWIUZEQC-PLNGDYQASA-N 1 2 278.315 1.851 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(CC)s2)C1=O ZINC000281122129 195113213 /nfs/dbraw/zinc/11/32/13/195113213.db2.gz CDIGPTFDKFFOMM-GFCCVEGCSA-N 1 2 279.409 1.924 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(CC)s2)C1=O ZINC000281122129 195113215 /nfs/dbraw/zinc/11/32/15/195113215.db2.gz CDIGPTFDKFFOMM-GFCCVEGCSA-N 1 2 279.409 1.924 20 30 CDEDLO CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)CS(C)(=O)=O ZINC000171835388 285104379 /nfs/dbraw/zinc/10/43/79/285104379.db2.gz WORZFKYTXZNFKK-LBPRGKRZSA-N 1 2 280.393 1.813 20 30 CDEDLO CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)CS(C)(=O)=O ZINC000171835388 285104380 /nfs/dbraw/zinc/10/43/80/285104380.db2.gz WORZFKYTXZNFKK-LBPRGKRZSA-N 1 2 280.393 1.813 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192220285 533111417 /nfs/dbraw/zinc/11/14/17/533111417.db2.gz JUZZEDRVDATINA-JTQLQIEISA-N 1 2 261.281 1.487 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192220285 533111424 /nfs/dbraw/zinc/11/14/24/533111424.db2.gz JUZZEDRVDATINA-JTQLQIEISA-N 1 2 261.281 1.487 20 30 CDEDLO N#CC1CCN(C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000105085476 390502896 /nfs/dbraw/zinc/50/28/96/390502896.db2.gz DNIWLKCVEMSHAK-UHFFFAOYSA-N 1 2 283.335 1.779 20 30 CDEDLO C[C@H]1C[N@H+](CCO)CCN1c1nccc(C#N)c1Cl ZINC000450956907 390581818 /nfs/dbraw/zinc/58/18/18/390581818.db2.gz SIPBZSPZZYNZRK-JTQLQIEISA-N 1 2 280.759 1.109 20 30 CDEDLO C[C@H]1C[N@@H+](CCO)CCN1c1nccc(C#N)c1Cl ZINC000450956907 390581820 /nfs/dbraw/zinc/58/18/20/390581820.db2.gz SIPBZSPZZYNZRK-JTQLQIEISA-N 1 2 280.759 1.109 20 30 CDEDLO Cc1cccc2[nH+]c(CNC(=O)C3(C#N)CCOCC3)cn21 ZINC000109307243 390637195 /nfs/dbraw/zinc/63/71/95/390637195.db2.gz YHPIEAWRDYQRRP-UHFFFAOYSA-N 1 2 298.346 1.579 20 30 CDEDLO CC(C)N(C(=O)CO[NH+]=C(N)CCO)c1ccccc1 ZINC000136066542 390940948 /nfs/dbraw/zinc/94/09/48/390940948.db2.gz CYRAGZGQWXUXAM-UHFFFAOYSA-N 1 2 279.340 1.099 20 30 CDEDLO COC(=O)[C@@H](CNc1cc(C)[nH+]cc1C#N)CC(C)C ZINC000425241023 390897921 /nfs/dbraw/zinc/89/79/21/390897921.db2.gz ZSERKPOETJNHAF-GFCCVEGCSA-N 1 2 275.352 1.931 20 30 CDEDLO Cc1nc(CC(N)=[NH+]OCc2nc(C3CC3)no2)cs1 ZINC000123369121 390910037 /nfs/dbraw/zinc/91/00/37/390910037.db2.gz MCDAONBMCFSTQP-UHFFFAOYSA-N 1 2 293.352 1.743 20 30 CDEDLO N#CCSCC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343329552 391020166 /nfs/dbraw/zinc/02/01/66/391020166.db2.gz CVBJBPFEBVPJSR-UHFFFAOYSA-N 1 2 287.348 1.522 20 30 CDEDLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329483745 390996663 /nfs/dbraw/zinc/99/66/63/390996663.db2.gz FIAXBVUCSIHFEM-RFQIPJPRSA-N 1 2 280.368 1.231 20 30 CDEDLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329483745 390996668 /nfs/dbraw/zinc/99/66/68/390996668.db2.gz FIAXBVUCSIHFEM-RFQIPJPRSA-N 1 2 280.368 1.231 20 30 CDEDLO CCC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CCO1 ZINC000329618610 391033662 /nfs/dbraw/zinc/03/36/62/391033662.db2.gz QPDWQKFEWBNIHW-VXGBXAGGSA-N 1 2 292.383 1.682 20 30 CDEDLO CCC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CCO1 ZINC000329618610 391033665 /nfs/dbraw/zinc/03/36/65/391033665.db2.gz QPDWQKFEWBNIHW-VXGBXAGGSA-N 1 2 292.383 1.682 20 30 CDEDLO Cc1ccc(C(N)=[NH+]OCc2ncnn2C)cc1F ZINC000177671352 391173813 /nfs/dbraw/zinc/17/38/13/391173813.db2.gz CQFWOVKNIKXTSJ-UHFFFAOYSA-N 1 2 263.276 1.100 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCc2ncnn2C)ccc1F ZINC000177671840 391174210 /nfs/dbraw/zinc/17/42/10/391174210.db2.gz RGSGBSDTODXRJR-UHFFFAOYSA-N 1 2 263.276 1.100 20 30 CDEDLO C[C@H](C#N)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000345790725 391313247 /nfs/dbraw/zinc/31/32/47/391313247.db2.gz DZAMPCHPGDVHOX-UKRRQHHQSA-N 1 2 287.363 1.336 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2conc2CC)C1=O ZINC000339606020 391317443 /nfs/dbraw/zinc/31/74/43/391317443.db2.gz BQLPHDVXGTXKGT-ZDUSSCGKSA-N 1 2 263.341 1.456 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2conc2CC)C1=O ZINC000339606020 391317446 /nfs/dbraw/zinc/31/74/46/391317446.db2.gz BQLPHDVXGTXKGT-ZDUSSCGKSA-N 1 2 263.341 1.456 20 30 CDEDLO COc1ccc(O)c(C(=O)NCC[N@@H+]2CCOC[C@H]2C)c1 ZINC000330597862 391452603 /nfs/dbraw/zinc/45/26/03/391452603.db2.gz FBOMVFWMXJKDJP-LLVKDONJSA-N 1 2 294.351 1.426 20 30 CDEDLO COc1ccc(O)c(C(=O)NCC[N@H+]2CCOC[C@H]2C)c1 ZINC000330597862 391452607 /nfs/dbraw/zinc/45/26/07/391452607.db2.gz FBOMVFWMXJKDJP-LLVKDONJSA-N 1 2 294.351 1.426 20 30 CDEDLO C=CCCC1(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000355656591 391462713 /nfs/dbraw/zinc/46/27/13/391462713.db2.gz JAAFYCWTAQHOFH-KBPBESRZSA-N 1 2 280.412 1.958 20 30 CDEDLO CC#CCN(C)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411566990 391478771 /nfs/dbraw/zinc/47/87/71/391478771.db2.gz KHMHLXNNYIPWBM-UHFFFAOYSA-N 1 2 273.336 1.427 20 30 CDEDLO CC#CC[N@H+](C)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411776230 391525241 /nfs/dbraw/zinc/52/52/41/391525241.db2.gz ZYKUEQQDUFKSEV-AWEZNQCLSA-N 1 2 260.312 1.886 20 30 CDEDLO CC#CC[N@@H+](C)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411776230 391525243 /nfs/dbraw/zinc/52/52/43/391525243.db2.gz ZYKUEQQDUFKSEV-AWEZNQCLSA-N 1 2 260.312 1.886 20 30 CDEDLO CCOC(=O)[C@H]([NH2+]CCCC#N)[C@H]1CCCOC1 ZINC000359804745 391616957 /nfs/dbraw/zinc/61/69/57/391616957.db2.gz IJPGBUPDPDOLSX-NWDGAFQWSA-N 1 2 254.330 1.238 20 30 CDEDLO C=CCN1CC[C@H](N(C)c2[nH+]c3ccccc3n2C)C1=O ZINC000281968405 391666433 /nfs/dbraw/zinc/66/64/33/391666433.db2.gz UCZJCFNUGHEBKQ-AWEZNQCLSA-N 1 2 284.363 1.796 20 30 CDEDLO C#CC[N@@H+](CC(=O)NC[C@@H]1CCCO1)Cc1ccccc1 ZINC000285879462 391718257 /nfs/dbraw/zinc/71/82/57/391718257.db2.gz YPDGJSVOYOPARV-INIZCTEOSA-N 1 2 286.375 1.417 20 30 CDEDLO C#CC[N@H+](CC(=O)NC[C@@H]1CCCO1)Cc1ccccc1 ZINC000285879462 391718258 /nfs/dbraw/zinc/71/82/58/391718258.db2.gz YPDGJSVOYOPARV-INIZCTEOSA-N 1 2 286.375 1.417 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2)C1=O ZINC000281925640 391675216 /nfs/dbraw/zinc/67/52/16/391675216.db2.gz HOKOXRZZBDIDEU-CQSZACIVSA-N 1 2 287.363 1.344 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2)C1=O ZINC000281925640 391675218 /nfs/dbraw/zinc/67/52/18/391675218.db2.gz HOKOXRZZBDIDEU-CQSZACIVSA-N 1 2 287.363 1.344 20 30 CDEDLO Cc1noc([C@H]2CC[N@H+](CC(=O)Nc3nccs3)C2)n1 ZINC000329070424 391747185 /nfs/dbraw/zinc/74/71/85/391747185.db2.gz YMOUNUCXVGUYBG-VIFPVBQESA-N 1 2 293.352 1.912 20 30 CDEDLO Cc1noc([C@H]2CC[N@@H+](CC(=O)Nc3nccs3)C2)n1 ZINC000329070424 391747187 /nfs/dbraw/zinc/74/71/87/391747187.db2.gz YMOUNUCXVGUYBG-VIFPVBQESA-N 1 2 293.352 1.912 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000189721116 130014563 /nfs/dbraw/zinc/01/45/63/130014563.db2.gz AXCYCTWZKDZRLW-STQMWFEESA-N 1 2 283.397 1.672 20 30 CDEDLO C=CC[N@H+](C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000191068289 130178215 /nfs/dbraw/zinc/17/82/15/130178215.db2.gz WRQYCHVCDYLGGC-OLZOCXBDSA-N 1 2 271.382 1.354 20 30 CDEDLO C=CC[N@@H+](C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000191068289 130178217 /nfs/dbraw/zinc/17/82/17/130178217.db2.gz WRQYCHVCDYLGGC-OLZOCXBDSA-N 1 2 271.382 1.354 20 30 CDEDLO CCC1(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)CCOCC1 ZINC000329781101 391777681 /nfs/dbraw/zinc/77/76/81/391777681.db2.gz SKJNLNHMSSFSCP-CYBMUJFWSA-N 1 2 299.415 1.027 20 30 CDEDLO CCC1(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC000329781101 391777687 /nfs/dbraw/zinc/77/76/87/391777687.db2.gz SKJNLNHMSSFSCP-CYBMUJFWSA-N 1 2 299.415 1.027 20 30 CDEDLO C[C@@H]1CC(CNC(=O)N2CCn3cc[nH+]c3C2)C[C@@H](C)O1 ZINC000329806622 391782535 /nfs/dbraw/zinc/78/25/35/391782535.db2.gz OBVQXWVPXMXVKT-VXGBXAGGSA-N 1 2 292.383 1.816 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2cncnc2)C1 ZINC000329848526 391789124 /nfs/dbraw/zinc/78/91/24/391789124.db2.gz RNPFSTDCXGWJLR-JTQLQIEISA-N 1 2 272.312 1.245 20 30 CDEDLO NC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@H]2C[NH+]3CCN2CC3)C1 ZINC000329885571 391794848 /nfs/dbraw/zinc/79/48/48/391794848.db2.gz UVQGDBIARYVBFF-AGIUHOORSA-N 1 2 294.399 1.284 20 30 CDEDLO C[C@@H]1CC[C@@H](C(=O)NCC2([NH+]3CCOCC3)CC2)O1 ZINC000329911068 391797935 /nfs/dbraw/zinc/79/79/35/391797935.db2.gz NQUWWDZFCHYNDS-NEPJUHHUSA-N 1 2 268.357 1.375 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)NC[C@H]1CCCO1)CCO2 ZINC000329920054 391799948 /nfs/dbraw/zinc/79/99/48/391799948.db2.gz DSCSZTBMUQFTFX-GUTXKFCHSA-N 1 2 298.383 1.002 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)NC[C@H]1CCCO1)CCO2 ZINC000329920054 391799951 /nfs/dbraw/zinc/79/99/51/391799951.db2.gz DSCSZTBMUQFTFX-GUTXKFCHSA-N 1 2 298.383 1.002 20 30 CDEDLO O=C(NCC1([NH+]2CCOCC2)CC1)[C@H]1CCCCO1 ZINC000329927966 391800301 /nfs/dbraw/zinc/80/03/01/391800301.db2.gz XKOVBUAWQVUENY-GFCCVEGCSA-N 1 2 268.357 1.377 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H](C2CC2)O1 ZINC000329955433 391806185 /nfs/dbraw/zinc/80/61/85/391806185.db2.gz OIOBSCJQRIBFJK-KWCYVHTRSA-N 1 2 282.384 1.621 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H](C2CC2)O1 ZINC000329955433 391806187 /nfs/dbraw/zinc/80/61/87/391806187.db2.gz OIOBSCJQRIBFJK-KWCYVHTRSA-N 1 2 282.384 1.621 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(C#N)cn2)n1 ZINC000491738656 392570097 /nfs/dbraw/zinc/57/00/97/392570097.db2.gz RVYRXWGJNWGRBH-UHFFFAOYSA-N 1 2 279.347 1.805 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(C#N)cn2)n1 ZINC000491738656 392570104 /nfs/dbraw/zinc/57/01/04/392570104.db2.gz RVYRXWGJNWGRBH-UHFFFAOYSA-N 1 2 279.347 1.805 20 30 CDEDLO C=C[C@@H](O)C(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000646592447 392583741 /nfs/dbraw/zinc/58/37/41/392583741.db2.gz PDSFIAHVQWXTTB-CQSZACIVSA-N 1 2 262.353 1.566 20 30 CDEDLO C=C[C@@H](O)C(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000646592447 392583746 /nfs/dbraw/zinc/58/37/46/392583746.db2.gz PDSFIAHVQWXTTB-CQSZACIVSA-N 1 2 262.353 1.566 20 30 CDEDLO COCC[NH+]1CCN(C(=O)c2ccc(C#N)s2)CC1 ZINC000487664804 392726631 /nfs/dbraw/zinc/72/66/31/392726631.db2.gz GVJKMMGJZLPRDY-UHFFFAOYSA-N 1 2 279.365 1.024 20 30 CDEDLO C=C[C@H](O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000646746936 392729337 /nfs/dbraw/zinc/72/93/37/392729337.db2.gz GLXPVKONWNFRCD-ZDUSSCGKSA-N 1 2 257.293 1.035 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000517038701 392819196 /nfs/dbraw/zinc/81/91/96/392819196.db2.gz KSHZLJSFIWVBMV-LLVKDONJSA-N 1 2 273.336 1.846 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000523487366 392888060 /nfs/dbraw/zinc/88/80/60/392888060.db2.gz JWDCYQKJPANDKB-GFCCVEGCSA-N 1 2 288.351 1.400 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000523487366 392888069 /nfs/dbraw/zinc/88/80/69/392888069.db2.gz JWDCYQKJPANDKB-GFCCVEGCSA-N 1 2 288.351 1.400 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3cc(F)ccc3C#N)C[C@@H]21 ZINC000131241593 393011622 /nfs/dbraw/zinc/01/16/22/393011622.db2.gz LJPPMZVPXGZHKZ-GJZGRUSLSA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3cc(F)ccc3C#N)C[C@@H]21 ZINC000131241593 393011626 /nfs/dbraw/zinc/01/16/26/393011626.db2.gz LJPPMZVPXGZHKZ-GJZGRUSLSA-N 1 2 275.327 1.212 20 30 CDEDLO C=CCCOCC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000650671297 398133983 /nfs/dbraw/zinc/13/39/83/398133983.db2.gz WJNAYRJVIZHUBM-ZDUSSCGKSA-N 1 2 277.368 1.922 20 30 CDEDLO Cn1ncc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1C#N ZINC000354126748 156279316 /nfs/dbraw/zinc/27/93/16/156279316.db2.gz YGKXUAJOQMESNW-UHFFFAOYSA-N 1 2 292.302 1.730 20 30 CDEDLO Cc1nnc([C@H](C)[NH2+]Cc2cc(C#N)n(C)c2)s1 ZINC000359661048 158327221 /nfs/dbraw/zinc/32/72/21/158327221.db2.gz FMFNYYGCRRKDEY-QMMMGPOBSA-N 1 2 261.354 1.908 20 30 CDEDLO N#Cc1ccncc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000362725234 159223677 /nfs/dbraw/zinc/22/36/77/159223677.db2.gz RNXBGOPNEJDFDM-UHFFFAOYSA-N 1 2 295.346 1.970 20 30 CDEDLO N#Cc1cccc([C@H]2CN(Cc3c[nH+]c[nH]3)CCO2)c1 ZINC000371463082 160012965 /nfs/dbraw/zinc/01/29/65/160012965.db2.gz GZKKMYBIKWNQPE-OAHLLOKOSA-N 1 2 268.320 1.855 20 30 CDEDLO N#Cc1cccc([C@H]2CN(Cc3c[nH]c[nH+]3)CCO2)c1 ZINC000371463082 160012969 /nfs/dbraw/zinc/01/29/69/160012969.db2.gz GZKKMYBIKWNQPE-OAHLLOKOSA-N 1 2 268.320 1.855 20 30 CDEDLO Cc1nccnc1N1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000374139679 160258113 /nfs/dbraw/zinc/25/81/13/160258113.db2.gz BKFIRXFYOBHBDY-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO C=CCN(CC(F)(F)F)C(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000654645363 413532840 /nfs/dbraw/zinc/53/28/40/413532840.db2.gz MRNLZJWBGYFGPT-SNVBAGLBSA-N 1 2 264.291 1.904 20 30 CDEDLO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000035179245 172032702 /nfs/dbraw/zinc/03/27/02/172032702.db2.gz JPJYUYQCNAPFFF-CYBMUJFWSA-N 1 2 264.350 1.177 20 30 CDEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000035179245 172032704 /nfs/dbraw/zinc/03/27/04/172032704.db2.gz JPJYUYQCNAPFFF-CYBMUJFWSA-N 1 2 264.350 1.177 20 30 CDEDLO C=CCCn1cc(CNc2c[nH+]ccc2OC)nn1 ZINC000656768969 413657497 /nfs/dbraw/zinc/65/74/97/413657497.db2.gz AIJUEDZMNRNCEJ-UHFFFAOYSA-N 1 2 259.313 1.870 20 30 CDEDLO C=CC[N@H+](Cc1nnnn1-c1ccccc1)[C@H](C)COC ZINC000661248404 413919371 /nfs/dbraw/zinc/91/93/71/413919371.db2.gz UFGYMVHNKPNCCM-CYBMUJFWSA-N 1 2 287.367 1.685 20 30 CDEDLO C=CC[N@@H+](Cc1nnnn1-c1ccccc1)[C@H](C)COC ZINC000661248404 413919379 /nfs/dbraw/zinc/91/93/79/413919379.db2.gz UFGYMVHNKPNCCM-CYBMUJFWSA-N 1 2 287.367 1.685 20 30 CDEDLO C#CC[N@@H+](CC(=O)N1CCCC1)Cc1ccccc1 ZINC000285570013 196331229 /nfs/dbraw/zinc/33/12/29/196331229.db2.gz HPTSYBYMLJCUQV-UHFFFAOYSA-N 1 2 256.349 1.744 20 30 CDEDLO C#CC[N@H+](CC(=O)N1CCCC1)Cc1ccccc1 ZINC000285570013 196331230 /nfs/dbraw/zinc/33/12/30/196331230.db2.gz HPTSYBYMLJCUQV-UHFFFAOYSA-N 1 2 256.349 1.744 20 30 CDEDLO C=CCNC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000076546337 177036828 /nfs/dbraw/zinc/03/68/28/177036828.db2.gz STDYZQFBCPPRLJ-UHFFFAOYSA-N 1 2 289.379 1.708 20 30 CDEDLO CC(C)CCN(CCC#N)CC[NH+]1CCOCC1 ZINC000078681270 177371090 /nfs/dbraw/zinc/37/10/90/177371090.db2.gz MFIVUAKZUQCHKC-UHFFFAOYSA-N 1 2 253.390 1.580 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(F)cc1 ZINC000078681309 177371100 /nfs/dbraw/zinc/37/11/00/177371100.db2.gz TYZGPLPJYUPFNP-UHFFFAOYSA-N 1 2 291.370 1.874 20 30 CDEDLO O=C(NCCc1ccon1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000330015051 228016965 /nfs/dbraw/zinc/01/69/65/228016965.db2.gz NMRBZRCQLBNCDW-CQSZACIVSA-N 1 2 293.367 1.817 20 30 CDEDLO O=C(NCCc1ccon1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000330015051 228016968 /nfs/dbraw/zinc/01/69/68/228016968.db2.gz NMRBZRCQLBNCDW-CQSZACIVSA-N 1 2 293.367 1.817 20 30 CDEDLO CCc1nsc(N2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000330264676 228085709 /nfs/dbraw/zinc/08/57/09/228085709.db2.gz YFHGYMKCDLPTKT-VXGBXAGGSA-N 1 2 291.424 1.915 20 30 CDEDLO Cc1ccc(C(N)=[NH+]OCC(=O)NCC(C)C)cc1F ZINC000048610756 260201589 /nfs/dbraw/zinc/20/15/89/260201589.db2.gz WTKABJCZPGWIDL-UHFFFAOYSA-N 1 2 281.331 1.543 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000049001000 260202807 /nfs/dbraw/zinc/20/28/07/260202807.db2.gz DNBZQAFHCMQEEB-NEPJUHHUSA-N 1 2 277.343 1.922 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000049001000 260202809 /nfs/dbraw/zinc/20/28/09/260202809.db2.gz DNBZQAFHCMQEEB-NEPJUHHUSA-N 1 2 277.343 1.922 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)C1(C#N)CCCCC1)[NH+]1CCOCC1 ZINC000408079585 260217891 /nfs/dbraw/zinc/21/78/91/260217891.db2.gz HUNCHOBEGRPKFY-UONOGXRCSA-N 1 2 293.411 1.686 20 30 CDEDLO C=CCCCC(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000374372920 260281528 /nfs/dbraw/zinc/28/15/28/260281528.db2.gz QLUXCZWWNGBFPV-AWEZNQCLSA-N 1 2 259.353 1.911 20 30 CDEDLO CC(C)Cc1nc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cs1 ZINC000518383537 260393718 /nfs/dbraw/zinc/39/37/18/260393718.db2.gz NATWLVLDSADDBJ-AWEZNQCLSA-N 1 2 294.424 1.915 20 30 CDEDLO N#CCC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000153499427 261079335 /nfs/dbraw/zinc/07/93/35/261079335.db2.gz WKHHSTSWFWAHEH-AWEZNQCLSA-N 1 2 273.336 1.090 20 30 CDEDLO Cc1ccc(C(N)=[NH+]OCC(=O)NCC2CC2)cc1F ZINC000154252169 261089923 /nfs/dbraw/zinc/08/99/23/261089923.db2.gz HOUQNBMKMAOYLR-UHFFFAOYSA-N 1 2 279.315 1.297 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000249941190 261260501 /nfs/dbraw/zinc/26/05/01/261260501.db2.gz WGINRTAZISCUJF-QLFBSQMISA-N 1 2 293.411 1.638 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000249941190 261260503 /nfs/dbraw/zinc/26/05/03/261260503.db2.gz WGINRTAZISCUJF-QLFBSQMISA-N 1 2 293.411 1.638 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000367604202 261316983 /nfs/dbraw/zinc/31/69/83/261316983.db2.gz SLOGIEXEHZAIHF-HUUCEWRRSA-N 1 2 294.395 1.067 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000367604202 261316984 /nfs/dbraw/zinc/31/69/84/261316984.db2.gz SLOGIEXEHZAIHF-HUUCEWRRSA-N 1 2 294.395 1.067 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C(C)(C)[C@H]1c1cnn(C)c1 ZINC000491763886 262015009 /nfs/dbraw/zinc/01/50/09/262015009.db2.gz BAUHUEDFZMVFIX-DGCLKSJQSA-N 1 2 274.368 1.241 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C(C)(C)[C@H]1c1cnn(C)c1 ZINC000491763886 262015010 /nfs/dbraw/zinc/01/50/10/262015010.db2.gz BAUHUEDFZMVFIX-DGCLKSJQSA-N 1 2 274.368 1.241 20 30 CDEDLO C[C@H]([NH2+]CC(F)(F)CO)c1ccc(OCC#N)cc1 ZINC000184693825 262292018 /nfs/dbraw/zinc/29/20/18/262292018.db2.gz XSFLWVHWMVOUMD-JTQLQIEISA-N 1 2 270.279 1.867 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000336799930 262397149 /nfs/dbraw/zinc/39/71/49/262397149.db2.gz KLOQNXAAIUOJMV-NXEZZACHSA-N 1 2 277.290 1.631 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000336799930 262397150 /nfs/dbraw/zinc/39/71/50/262397150.db2.gz KLOQNXAAIUOJMV-NXEZZACHSA-N 1 2 277.290 1.631 20 30 CDEDLO Cc1ncc(CO)c(/C=[NH+]/CCC(C)(C)O)c1O ZINC000274871812 263031261 /nfs/dbraw/zinc/03/12/61/263031261.db2.gz VPUOHOPOJPRYTH-VGOFMYFVSA-N 1 2 252.314 1.168 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000340201840 263091381 /nfs/dbraw/zinc/09/13/81/263091381.db2.gz PFMOBMADKWFBHI-MWLCHTKSSA-N 1 2 280.290 1.066 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000340201840 263091382 /nfs/dbraw/zinc/09/13/82/263091382.db2.gz PFMOBMADKWFBHI-MWLCHTKSSA-N 1 2 280.290 1.066 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)COc1ccc(F)cc1 ZINC000299174249 263233634 /nfs/dbraw/zinc/23/36/34/263233634.db2.gz VKDZRMRGOZQYBE-DGCLKSJQSA-N 1 2 266.316 1.657 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)COc1ccc(F)cc1 ZINC000299174249 263233636 /nfs/dbraw/zinc/23/36/36/263233636.db2.gz VKDZRMRGOZQYBE-DGCLKSJQSA-N 1 2 266.316 1.657 20 30 CDEDLO C[C@H](NCC#CC[NH2+][C@@H](C)c1ccon1)c1ccon1 ZINC000341906785 263364779 /nfs/dbraw/zinc/36/47/79/263364779.db2.gz ANZLITOSNMKIOY-RYUDHWBXSA-N 1 2 274.324 1.667 20 30 CDEDLO COCC1(C#N)CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000341980788 263369904 /nfs/dbraw/zinc/36/99/04/263369904.db2.gz BJKRKQDLOINORK-GASCZTMLSA-N 1 2 293.411 1.102 20 30 CDEDLO COCC1(C#N)CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000341980788 263369906 /nfs/dbraw/zinc/36/99/06/263369906.db2.gz BJKRKQDLOINORK-GASCZTMLSA-N 1 2 293.411 1.102 20 30 CDEDLO CC[C@H](O)CNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000330673498 264013494 /nfs/dbraw/zinc/01/34/94/264013494.db2.gz PIRUISKZDBBGJB-NSHDSACASA-N 1 2 261.325 1.957 20 30 CDEDLO Cc1cc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cc(=O)[nH]1 ZINC000330715985 264022127 /nfs/dbraw/zinc/02/21/27/264022127.db2.gz UCIKMLQLFWFOCL-NSHDSACASA-N 1 2 279.340 1.121 20 30 CDEDLO Cc1cc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc(=O)[nH]1 ZINC000330715985 264022131 /nfs/dbraw/zinc/02/21/31/264022131.db2.gz UCIKMLQLFWFOCL-NSHDSACASA-N 1 2 279.340 1.121 20 30 CDEDLO Cc1cncc(C(=O)NC(C)(C)C[NH+]2CCOCC2)c1 ZINC000331350499 264206368 /nfs/dbraw/zinc/20/63/68/264206368.db2.gz NVQJCZAOYXUKPF-UHFFFAOYSA-N 1 2 277.368 1.805 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000343259868 264243317 /nfs/dbraw/zinc/24/33/17/264243317.db2.gz OJIDOYWDZUAQTC-OLZOCXBDSA-N 1 2 254.374 1.568 20 30 CDEDLO C[C@@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000425444514 264324042 /nfs/dbraw/zinc/32/40/42/264324042.db2.gz BQCBJHQMLBCDGB-YIYPIFLZSA-N 1 2 294.399 1.087 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](CNC(C)=O)C2)nn1 ZINC000653509689 424226172 /nfs/dbraw/zinc/22/61/72/424226172.db2.gz SFDBKUYGIZWNBW-CQSZACIVSA-N 1 2 291.399 1.202 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](CNC(C)=O)C2)nn1 ZINC000653509689 424226177 /nfs/dbraw/zinc/22/61/77/424226177.db2.gz SFDBKUYGIZWNBW-CQSZACIVSA-N 1 2 291.399 1.202 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCc3ccccc3[C@H]2CO)nn1 ZINC000653584361 424302749 /nfs/dbraw/zinc/30/27/49/424302749.db2.gz RIUOQRFUQLNFGK-QGZVFWFLSA-N 1 2 298.390 1.946 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCc3ccccc3[C@H]2CO)nn1 ZINC000653584361 424302758 /nfs/dbraw/zinc/30/27/58/424302758.db2.gz RIUOQRFUQLNFGK-QGZVFWFLSA-N 1 2 298.390 1.946 20 30 CDEDLO C=CCCn1cc(C[N@H+](C)CCc2ccccn2)nn1 ZINC000653592945 424307034 /nfs/dbraw/zinc/30/70/34/424307034.db2.gz ZYTIEULRJMMKCK-UHFFFAOYSA-N 1 2 271.368 1.924 20 30 CDEDLO C=CCCn1cc(C[N@@H+](C)CCc2ccccn2)nn1 ZINC000653592945 424307041 /nfs/dbraw/zinc/30/70/41/424307041.db2.gz ZYTIEULRJMMKCK-UHFFFAOYSA-N 1 2 271.368 1.924 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCOCC23CCCC3)nn1 ZINC000653594440 424314018 /nfs/dbraw/zinc/31/40/18/424314018.db2.gz SIWLEVFLMNRUFN-UHFFFAOYSA-N 1 2 276.384 1.999 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCOCC23CCCC3)nn1 ZINC000653594440 424314023 /nfs/dbraw/zinc/31/40/23/424314023.db2.gz SIWLEVFLMNRUFN-UHFFFAOYSA-N 1 2 276.384 1.999 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCC(F)(F)F ZINC000356478084 266117319 /nfs/dbraw/zinc/11/73/19/266117319.db2.gz QAXCUKMSFLLQQZ-RKDXNWHRSA-N 1 2 265.279 1.535 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCC(F)(F)F ZINC000356478084 266117322 /nfs/dbraw/zinc/11/73/22/266117322.db2.gz QAXCUKMSFLLQQZ-RKDXNWHRSA-N 1 2 265.279 1.535 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N(CCC#N)CCC#N ZINC000357605820 266333773 /nfs/dbraw/zinc/33/37/73/266333773.db2.gz LBZIIFHQYPNBFC-UHFFFAOYSA-N 1 2 259.313 1.009 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000363232066 267081483 /nfs/dbraw/zinc/08/14/83/267081483.db2.gz PVZJOMCXZSNKRM-ZDUSSCGKSA-N 1 2 295.427 1.258 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000363232066 267081485 /nfs/dbraw/zinc/08/14/85/267081485.db2.gz PVZJOMCXZSNKRM-ZDUSSCGKSA-N 1 2 295.427 1.258 20 30 CDEDLO C[C@H]1CC(=O)NCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000369415587 267242040 /nfs/dbraw/zinc/24/20/40/267242040.db2.gz AMJKLQYLZHBQLA-LBPRGKRZSA-N 1 2 276.767 1.902 20 30 CDEDLO C[C@H]1CC(=O)NCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000369415587 267242042 /nfs/dbraw/zinc/24/20/42/267242042.db2.gz AMJKLQYLZHBQLA-LBPRGKRZSA-N 1 2 276.767 1.902 20 30 CDEDLO Cc1cc(C[NH2+]Cc2nnc3n2CCC3)ccc1C#N ZINC000518891580 267999259 /nfs/dbraw/zinc/99/92/59/267999259.db2.gz CJUBXLFVMKDYNX-UHFFFAOYSA-N 1 2 267.336 1.694 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000295101268 277694087 /nfs/dbraw/zinc/69/40/87/277694087.db2.gz HDINBQIVMAFXGX-UONOGXRCSA-N 1 2 289.379 1.995 20 30 CDEDLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)[nH]1 ZINC000556820415 290303435 /nfs/dbraw/zinc/30/34/35/290303435.db2.gz TWMBVGALCMMBKS-MFKMUULPSA-N 1 2 298.350 1.594 20 30 CDEDLO Cc1nnc([C@@H](C)[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)[nH]1 ZINC000556820415 290303436 /nfs/dbraw/zinc/30/34/36/290303436.db2.gz TWMBVGALCMMBKS-MFKMUULPSA-N 1 2 298.350 1.594 20 30 CDEDLO N#Cc1ccc(NC(=O)c2ccc3[nH+]ccn3c2)nc1 ZINC000171864669 292908162 /nfs/dbraw/zinc/90/81/62/292908162.db2.gz LBTMDPFRWJMACI-UHFFFAOYSA-N 1 2 263.260 1.853 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3cnccn3)CC2)c(F)c1 ZINC000562322091 293135020 /nfs/dbraw/zinc/13/50/20/293135020.db2.gz WNWNEMBMKIZRAF-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO N#Cc1cccc(C2(C(=O)N3CCn4c[nH+]cc4C3)CC2)c1 ZINC000572808915 294693442 /nfs/dbraw/zinc/69/34/42/294693442.db2.gz ANTRVTULQCXRKF-UHFFFAOYSA-N 1 2 292.342 1.829 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cn1)C[C@H](O)C(F)(F)F ZINC000574529637 295014552 /nfs/dbraw/zinc/01/45/52/295014552.db2.gz HNDXXAVENOQXPG-JTQLQIEISA-N 1 2 259.231 1.308 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cn1)C[C@H](O)C(F)(F)F ZINC000574529637 295014554 /nfs/dbraw/zinc/01/45/54/295014554.db2.gz HNDXXAVENOQXPG-JTQLQIEISA-N 1 2 259.231 1.308 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CCCSC1)N1CCn2c[nH+]cc2C1 ZINC000329609390 295379948 /nfs/dbraw/zinc/37/99/48/295379948.db2.gz CWXJUOAPPLRQNH-SNVBAGLBSA-N 1 2 266.370 1.508 20 30 CDEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCOCC2(CC2)C1 ZINC000329747562 295387688 /nfs/dbraw/zinc/38/76/88/295387688.db2.gz SNNRLCNOHAZGCF-NSHDSACASA-N 1 2 290.367 1.293 20 30 CDEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CCOCC2(CC2)C1 ZINC000329747562 295387689 /nfs/dbraw/zinc/38/76/89/295387689.db2.gz SNNRLCNOHAZGCF-NSHDSACASA-N 1 2 290.367 1.293 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1c1nc(=O)[nH][nH]1 ZINC000289346463 303205710 /nfs/dbraw/zinc/20/57/10/303205710.db2.gz MMBXDRHPXAEHPH-ZDUSSCGKSA-N 1 2 283.335 1.697 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1c1nc(=O)[nH][nH]1 ZINC000289346463 303205713 /nfs/dbraw/zinc/20/57/13/303205713.db2.gz MMBXDRHPXAEHPH-ZDUSSCGKSA-N 1 2 283.335 1.697 20 30 CDEDLO N#Cc1ccc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)o1 ZINC000350535177 316172529 /nfs/dbraw/zinc/17/25/29/316172529.db2.gz YKOPOORKMUTXBW-GFCCVEGCSA-N 1 2 286.291 1.737 20 30 CDEDLO N#Cc1ccc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)o1 ZINC000350535177 316172531 /nfs/dbraw/zinc/17/25/31/316172531.db2.gz YKOPOORKMUTXBW-GFCCVEGCSA-N 1 2 286.291 1.737 20 30 CDEDLO N#Cc1cccc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000563623620 316345346 /nfs/dbraw/zinc/34/53/46/316345346.db2.gz JGAVNWQUSMMRPU-SNVBAGLBSA-N 1 2 282.307 1.286 20 30 CDEDLO COCCCn1nccc1C[NH+]1CCC(C#N)CC1 ZINC000338943522 327992814 /nfs/dbraw/zinc/99/28/14/327992814.db2.gz BFZVLGSMIPQBHO-UHFFFAOYSA-N 1 2 262.357 1.655 20 30 CDEDLO Cc1cc(N2CCC(C)(C)S(=O)(=O)CC2)c(C#N)c[nH+]1 ZINC000569596993 316812073 /nfs/dbraw/zinc/81/20/73/316812073.db2.gz JCIRLPLMBMXQMX-UHFFFAOYSA-N 1 2 293.392 1.665 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N1CC(n2cc[nH+]c2)C1)OCC ZINC000534395369 328050852 /nfs/dbraw/zinc/05/08/52/328050852.db2.gz HSZDRVOYUQBPAB-CYBMUJFWSA-N 1 2 263.341 1.638 20 30 CDEDLO Cc1cccc(OC[C@H](O)C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000268357909 328184288 /nfs/dbraw/zinc/18/42/88/328184288.db2.gz GESIJCXBGCIBFF-UONOGXRCSA-N 1 2 262.353 1.969 20 30 CDEDLO Cc1cccc(OC[C@H](O)C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000268357909 328184290 /nfs/dbraw/zinc/18/42/90/328184290.db2.gz GESIJCXBGCIBFF-UONOGXRCSA-N 1 2 262.353 1.969 20 30 CDEDLO Cc1cc(NCCc2cn3c(n2)SCC3)c(C#N)c[nH+]1 ZINC000581484819 324758447 /nfs/dbraw/zinc/75/84/47/324758447.db2.gz LWWUZWPIIRRWBR-UHFFFAOYSA-N 1 2 285.376 1.640 20 30 CDEDLO N#C[C@@H]1N(Cc2cc[nH+]c(N)c2)CCC[C@]12CCCCO2 ZINC000556813082 326967536 /nfs/dbraw/zinc/96/75/36/326967536.db2.gz ZODAXFYNLSBGOX-GOEBONIOSA-N 1 2 286.379 1.921 20 30 CDEDLO C[C@@H]([NH2+]CCC#N)C(=O)N1c2ccccc2C[C@@H]1C ZINC000557360443 327002935 /nfs/dbraw/zinc/00/29/35/327002935.db2.gz UICBLDMEZCGITD-NWDGAFQWSA-N 1 2 257.337 1.856 20 30 CDEDLO Cc1cc(N[C@H]2CCO[C@@]3(CCOC3)C2)c(C#N)c[nH+]1 ZINC000584228108 327069487 /nfs/dbraw/zinc/06/94/87/327069487.db2.gz LXCWVPBABOYGEY-ZFWWWQNUSA-N 1 2 273.336 1.434 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091898480 327187403 /nfs/dbraw/zinc/18/74/03/327187403.db2.gz HUDJHNUUINVGHT-UHFFFAOYSA-N 1 2 289.354 1.946 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2cc(F)ccc2C1 ZINC000091898480 327187405 /nfs/dbraw/zinc/18/74/05/327187405.db2.gz HUDJHNUUINVGHT-UHFFFAOYSA-N 1 2 289.354 1.946 20 30 CDEDLO C#CC[N@@H+](Cc1cccc(C)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000092193672 327187872 /nfs/dbraw/zinc/18/78/72/327187872.db2.gz XTYMJUMGYSDTPA-INIZCTEOSA-N 1 2 291.416 1.926 20 30 CDEDLO C#CC[N@H+](Cc1cccc(C)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000092193672 327187874 /nfs/dbraw/zinc/18/78/74/327187874.db2.gz XTYMJUMGYSDTPA-INIZCTEOSA-N 1 2 291.416 1.926 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CC#N)c1ccccc1 ZINC000169812764 327539688 /nfs/dbraw/zinc/53/96/88/327539688.db2.gz CSERJYMLZYURPF-ZDUSSCGKSA-N 1 2 254.293 1.539 20 30 CDEDLO CCCCn1ncc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1C ZINC000573005447 327575375 /nfs/dbraw/zinc/57/53/75/327575375.db2.gz PYYICGWXISPARG-HNNXBMFYSA-N 1 2 291.399 1.565 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1CCCCCC1 ZINC000572648418 327598828 /nfs/dbraw/zinc/59/88/28/327598828.db2.gz CIARJDIRZZGWOW-AWEZNQCLSA-N 1 2 251.374 1.917 20 30 CDEDLO C=CCC1(C(=O)NCC[NH+]2CCOCC2)CCC1 ZINC000190384212 329395969 /nfs/dbraw/zinc/39/59/69/329395969.db2.gz PXJDABMDZYCKSF-UHFFFAOYSA-N 1 2 252.358 1.181 20 30 CDEDLO C=CCC1(C(=O)N(C)CC[NH+]2CCOCC2)CCC1 ZINC000191082702 329406794 /nfs/dbraw/zinc/40/67/94/329406794.db2.gz OELLNJRNIZSEAK-UHFFFAOYSA-N 1 2 266.385 1.523 20 30 CDEDLO C=CCn1cc(CNc2cc(C)[nH+]c(C(C)C)n2)nn1 ZINC000425263249 329652434 /nfs/dbraw/zinc/65/24/34/329652434.db2.gz KLVOIEHPZDIIPE-UHFFFAOYSA-N 1 2 272.356 1.720 20 30 CDEDLO C=CCn1cc(CNc2cc[nH+]c(C(C)C)n2)nn1 ZINC000425264296 329652605 /nfs/dbraw/zinc/65/26/05/329652605.db2.gz OQMRVYDMQHOOEK-UHFFFAOYSA-N 1 2 258.329 1.412 20 30 CDEDLO C=CCn1cc(C[NH2+][C@H](C)c2nccnc2C)nn1 ZINC000424295761 330336012 /nfs/dbraw/zinc/33/60/12/330336012.db2.gz NGEHYPQCBMWVIN-LLVKDONJSA-N 1 2 258.329 1.413 20 30 CDEDLO C=CCOCCC[N@@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000450986686 331010304 /nfs/dbraw/zinc/01/03/04/331010304.db2.gz QKDIENRJGYPCFN-NSHDSACASA-N 1 2 266.345 1.630 20 30 CDEDLO C=CCOCCC[N@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000450986686 331010305 /nfs/dbraw/zinc/01/03/05/331010305.db2.gz QKDIENRJGYPCFN-NSHDSACASA-N 1 2 266.345 1.630 20 30 CDEDLO C=CC(C)(C)CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000454333486 331144316 /nfs/dbraw/zinc/14/43/16/331144316.db2.gz CYVGSTHCYNWPCR-LLVKDONJSA-N 1 2 250.346 1.783 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)NCc1c[nH+]c(C)cc1C ZINC000459081397 331269604 /nfs/dbraw/zinc/26/96/04/331269604.db2.gz QSAZXGXTLYLDCX-ZDUSSCGKSA-N 1 2 277.368 1.682 20 30 CDEDLO N#CCCCCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000488557918 332017247 /nfs/dbraw/zinc/01/72/47/332017247.db2.gz GBDNUUCXJBDWFC-NSHDSACASA-N 1 2 261.329 1.191 20 30 CDEDLO C=CCn1cccc1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000488879079 332031617 /nfs/dbraw/zinc/03/16/17/332031617.db2.gz RKMUVCHDMHLYRK-KGLIPLIRSA-N 1 2 291.395 1.513 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2F)CC1 ZINC000490760939 332113244 /nfs/dbraw/zinc/11/32/44/332113244.db2.gz QCGSJQGFNUXBFL-UHFFFAOYSA-N 1 2 275.327 1.015 20 30 CDEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)C(C)C ZINC000490994205 332136940 /nfs/dbraw/zinc/13/69/40/332136940.db2.gz BHJNGKDTSOISSO-CYBMUJFWSA-N 1 2 281.400 1.054 20 30 CDEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)C(C)C ZINC000490994205 332136941 /nfs/dbraw/zinc/13/69/41/332136941.db2.gz BHJNGKDTSOISSO-CYBMUJFWSA-N 1 2 281.400 1.054 20 30 CDEDLO C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[NH+](CC)C[C@@H]1C ZINC000491164670 332158914 /nfs/dbraw/zinc/15/89/14/332158914.db2.gz DIPMZHPGBWSAOO-GJZGRUSLSA-N 1 2 251.418 1.261 20 30 CDEDLO C#C[C@@H]1COCCN1C(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000491339123 332192870 /nfs/dbraw/zinc/19/28/70/332192870.db2.gz NUAFHDMPYXXUAM-CYBMUJFWSA-N 1 2 283.331 1.356 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1nc2c(s1)CCC2 ZINC000491454218 332215140 /nfs/dbraw/zinc/21/51/40/332215140.db2.gz WZHDGMUNQMXYJE-VIFPVBQESA-N 1 2 263.366 1.524 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1nc2c(s1)CCC2 ZINC000491454218 332215142 /nfs/dbraw/zinc/21/51/42/332215142.db2.gz WZHDGMUNQMXYJE-VIFPVBQESA-N 1 2 263.366 1.524 20 30 CDEDLO C#C[C@@H](CC)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000491637735 332258379 /nfs/dbraw/zinc/25/83/79/332258379.db2.gz WMTUJIYOILECKE-NSHDSACASA-N 1 2 254.293 1.409 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C2CC2)CC1 ZINC000491667859 332275872 /nfs/dbraw/zinc/27/58/72/332275872.db2.gz XVNVEEWNXJGILK-CYBMUJFWSA-N 1 2 287.411 1.882 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](O)COc1c(C)cccc1C ZINC000491759963 332331266 /nfs/dbraw/zinc/33/12/66/332331266.db2.gz OZUDPFNGVGLINX-CVEARBPZSA-N 1 2 289.375 1.377 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](O)COc1c(C)cccc1C ZINC000491759963 332331268 /nfs/dbraw/zinc/33/12/68/332331268.db2.gz OZUDPFNGVGLINX-CVEARBPZSA-N 1 2 289.375 1.377 20 30 CDEDLO C#C[C@@H]1COCCN1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000491779482 332344260 /nfs/dbraw/zinc/34/42/60/332344260.db2.gz HOOGJUBEDXBOHL-GFCCVEGCSA-N 1 2 273.361 1.768 20 30 CDEDLO N#CCOc1ccc(/C=C/C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000491838818 332371546 /nfs/dbraw/zinc/37/15/46/332371546.db2.gz OKVDEGBDMHVZKX-ZZXKWVIFSA-N 1 2 282.303 1.642 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1ccc(OCC#N)cc1 ZINC000492086059 332382116 /nfs/dbraw/zinc/38/21/16/332382116.db2.gz FKFWYVKKNBZJGY-DAXSKMNVSA-N 1 2 296.330 1.950 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1cccc(F)c1 ZINC000493223814 332431118 /nfs/dbraw/zinc/43/11/18/332431118.db2.gz RVLTYOGSYMGKPF-ZPIQOJFGSA-N 1 2 275.327 1.799 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N1CCCc2cc(OC)ccc21 ZINC000192224447 333232870 /nfs/dbraw/zinc/23/28/70/333232870.db2.gz CDRSNKGFZLYWIN-UHFFFAOYSA-N 1 2 272.348 1.539 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N1CCCc2cc(OC)ccc21 ZINC000192224447 333232871 /nfs/dbraw/zinc/23/28/71/333232871.db2.gz CDRSNKGFZLYWIN-UHFFFAOYSA-N 1 2 272.348 1.539 20 30 CDEDLO CC(C)N(CCC#N)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000522590296 333291908 /nfs/dbraw/zinc/29/19/08/333291908.db2.gz MPPHQTGTMYYXOH-UHFFFAOYSA-N 1 2 284.323 1.427 20 30 CDEDLO Cc1cncc(CCC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000576044524 335145123 /nfs/dbraw/zinc/14/51/23/335145123.db2.gz WMOCPQNBBDIKCR-HNNXBMFYSA-N 1 2 274.368 1.283 20 30 CDEDLO COC[C@](C)(C#N)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000137163155 334170854 /nfs/dbraw/zinc/17/08/54/334170854.db2.gz AWYLIFKVOBWEQW-HNNXBMFYSA-N 1 2 284.319 1.531 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)OCC ZINC000565429412 334563085 /nfs/dbraw/zinc/56/30/85/334563085.db2.gz YRDQPQRWALTITC-OCCSQVGLSA-N 1 2 267.373 1.318 20 30 CDEDLO COc1cc(NC[C@H](O)C[N@H+](C)CCC#N)cc(OC)c1 ZINC000581126794 336011804 /nfs/dbraw/zinc/01/18/04/336011804.db2.gz DKJKNMIFAHQNSZ-ZDUSSCGKSA-N 1 2 293.367 1.322 20 30 CDEDLO COc1cc(NC[C@H](O)C[N@@H+](C)CCC#N)cc(OC)c1 ZINC000581126794 336011806 /nfs/dbraw/zinc/01/18/06/336011806.db2.gz DKJKNMIFAHQNSZ-ZDUSSCGKSA-N 1 2 293.367 1.322 20 30 CDEDLO CCN(CC#N)C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000581318593 336048118 /nfs/dbraw/zinc/04/81/18/336048118.db2.gz ATAVWLGEDMAASQ-VIFPVBQESA-N 1 2 288.273 1.828 20 30 CDEDLO CN(C)c1cccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000581583444 336106154 /nfs/dbraw/zinc/10/61/54/336106154.db2.gz PMSRMPNNRLPFLS-OAHLLOKOSA-N 1 2 274.368 1.326 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N(C)C1C[NH+](CCn2cccn2)C1 ZINC001754580572 1159289506 /nfs/dbraw/zinc/28/95/06/1159289506.db2.gz FCOQMSOKVARWQX-INIZCTEOSA-N 1 2 290.411 1.628 20 30 CDEDLO C#C[C@@H]([NH2+]CCS(=O)(=O)CC)c1ccccc1 ZINC000378773812 1159519502 /nfs/dbraw/zinc/51/95/02/1159519502.db2.gz XHJUOMISYJFADA-CYBMUJFWSA-N 1 2 251.351 1.385 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2nccs2)C1 ZINC001027335979 1159663741 /nfs/dbraw/zinc/66/37/41/1159663741.db2.gz MDCBWNZTJNJHSS-RYUDHWBXSA-N 1 2 292.408 1.726 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2nccs2)C1 ZINC001027335979 1159663747 /nfs/dbraw/zinc/66/37/47/1159663747.db2.gz MDCBWNZTJNJHSS-RYUDHWBXSA-N 1 2 292.408 1.726 20 30 CDEDLO CCC#C[C@H](C)[NH+]1CCN(CC(=O)N2CCCCC2)CC1 ZINC000677047370 482519667 /nfs/dbraw/zinc/51/96/67/482519667.db2.gz XLXLRXHRQHZRNC-INIZCTEOSA-N 1 2 291.439 1.418 20 30 CDEDLO CCC#C[C@H](C)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000677047370 482519675 /nfs/dbraw/zinc/51/96/75/482519675.db2.gz XLXLRXHRQHZRNC-INIZCTEOSA-N 1 2 291.439 1.418 20 30 CDEDLO C=CCCN(C)c1nc(NCC)[nH+]c(NC(C)(C)C)n1 ZINC000672262337 482531556 /nfs/dbraw/zinc/53/15/56/482531556.db2.gz ZFXYQGOTXFSETL-UHFFFAOYSA-N 1 2 278.404 1.948 20 30 CDEDLO C=CCCN(C)c1nc(NC(C)(C)C)nc(NCC)[nH+]1 ZINC000672262337 482531557 /nfs/dbraw/zinc/53/15/57/482531557.db2.gz ZFXYQGOTXFSETL-UHFFFAOYSA-N 1 2 278.404 1.948 20 30 CDEDLO C=CCCN(C)c1nc(NCC)nc(NC(C)(C)C)[nH+]1 ZINC000672262337 482531558 /nfs/dbraw/zinc/53/15/58/482531558.db2.gz ZFXYQGOTXFSETL-UHFFFAOYSA-N 1 2 278.404 1.948 20 30 CDEDLO C=CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000665946454 482863242 /nfs/dbraw/zinc/86/32/42/482863242.db2.gz YYAXWMPHSMCQMR-CYBMUJFWSA-N 1 2 267.373 1.069 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000684783141 482963825 /nfs/dbraw/zinc/96/38/25/482963825.db2.gz TZHLXDSMGNYFOD-HIFRSBDPSA-N 1 2 277.368 1.761 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000685571959 483167843 /nfs/dbraw/zinc/16/78/43/483167843.db2.gz NMFZEFBXIHIJCX-HNNXBMFYSA-N 1 2 294.420 1.719 20 30 CDEDLO COCC#CC[N@@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000683040995 483411021 /nfs/dbraw/zinc/41/10/21/483411021.db2.gz LNJUPKOUBLBRGN-CYBMUJFWSA-N 1 2 265.382 1.160 20 30 CDEDLO COCC#CC[N@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000683040995 483411025 /nfs/dbraw/zinc/41/10/25/483411025.db2.gz LNJUPKOUBLBRGN-CYBMUJFWSA-N 1 2 265.382 1.160 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC)nc1 ZINC000676720876 483575949 /nfs/dbraw/zinc/57/59/49/483575949.db2.gz BFZJUPZYKVENKS-LLVKDONJSA-N 1 2 263.341 1.213 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OC)nc1 ZINC000676720876 483575955 /nfs/dbraw/zinc/57/59/55/483575955.db2.gz BFZJUPZYKVENKS-LLVKDONJSA-N 1 2 263.341 1.213 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001030722359 1161058438 /nfs/dbraw/zinc/05/84/38/1161058438.db2.gz XFJAISGIDSQEJM-ZSOGYDGISA-N 1 2 260.381 1.636 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001080476308 1161561638 /nfs/dbraw/zinc/56/16/38/1161561638.db2.gz AWHJWYGLPYQIFG-OJAKKHQRSA-N 1 2 286.803 1.743 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001080476308 1161561645 /nfs/dbraw/zinc/56/16/45/1161561645.db2.gz AWHJWYGLPYQIFG-OJAKKHQRSA-N 1 2 286.803 1.743 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](F)C(C)C ZINC001731781624 1182571558 /nfs/dbraw/zinc/57/15/58/1182571558.db2.gz ZPYNKGDMCBGSTG-SNVBAGLBSA-N 1 2 250.745 1.781 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](F)C(C)C ZINC001731781624 1182571563 /nfs/dbraw/zinc/57/15/63/1182571563.db2.gz ZPYNKGDMCBGSTG-SNVBAGLBSA-N 1 2 250.745 1.781 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000347069501 534284600 /nfs/dbraw/zinc/28/46/00/534284600.db2.gz NERGIFNEDXNPBE-MFKMUULPSA-N 1 2 286.310 1.924 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000068468681 518271166 /nfs/dbraw/zinc/27/11/66/518271166.db2.gz MECNZLOEYMNIIH-UHFFFAOYSA-N 1 2 256.349 1.315 20 30 CDEDLO CC(C)(C#N)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000049308052 518504830 /nfs/dbraw/zinc/50/48/30/518504830.db2.gz HSQFPWIANFIFAW-UHFFFAOYSA-N 1 2 272.352 1.276 20 30 CDEDLO C[N@H+](Cc1cc(C#N)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000157649151 523167791 /nfs/dbraw/zinc/16/77/91/523167791.db2.gz BHLWVDMDYLPEFI-JTQLQIEISA-N 1 2 270.379 1.239 20 30 CDEDLO C[N@@H+](Cc1cc(C#N)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000157649151 523167799 /nfs/dbraw/zinc/16/77/99/523167799.db2.gz BHLWVDMDYLPEFI-JTQLQIEISA-N 1 2 270.379 1.239 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338587131 523526364 /nfs/dbraw/zinc/52/63/64/523526364.db2.gz IETJJGPTYMWCRW-CQSZACIVSA-N 1 2 264.300 1.473 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@](F)(CO)C1 ZINC000338587131 523526373 /nfs/dbraw/zinc/52/63/73/523526373.db2.gz IETJJGPTYMWCRW-CQSZACIVSA-N 1 2 264.300 1.473 20 30 CDEDLO [O-]C(N[C@@H]1CC=CCC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330264483 534759463 /nfs/dbraw/zinc/75/94/63/534759463.db2.gz XZQANOFYYYRCIJ-VXGBXAGGSA-N 1 2 260.341 1.810 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1CC=CCC1 ZINC000330264483 534759466 /nfs/dbraw/zinc/75/94/66/534759466.db2.gz XZQANOFYYYRCIJ-VXGBXAGGSA-N 1 2 260.341 1.810 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)C(=O)OC ZINC000353286609 526795800 /nfs/dbraw/zinc/79/58/00/526795800.db2.gz MNLBEFGEUHWACD-SWLSCSKDSA-N 1 2 293.363 1.657 20 30 CDEDLO CC[C@H]1C[N@H+](CCNC(=O)C2(C#N)CCCC2)CCO1 ZINC000347630698 529292387 /nfs/dbraw/zinc/29/23/87/529292387.db2.gz MTVOHRYRXUEGRZ-ZDUSSCGKSA-N 1 2 279.384 1.297 20 30 CDEDLO CC[C@H]1C[N@@H+](CCNC(=O)C2(C#N)CCCC2)CCO1 ZINC000347630698 529292390 /nfs/dbraw/zinc/29/23/90/529292390.db2.gz MTVOHRYRXUEGRZ-ZDUSSCGKSA-N 1 2 279.384 1.297 20 30 CDEDLO CC(C)C[N@H+](CC(N)=O)Cc1cccc(C#N)c1F ZINC000223520573 535045504 /nfs/dbraw/zinc/04/55/04/535045504.db2.gz FBKRVTXQPDVBQE-UHFFFAOYSA-N 1 2 263.316 1.641 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](CC(=O)OCC)C2CCCC2)C1=O ZINC000337189403 538436417 /nfs/dbraw/zinc/43/64/17/538436417.db2.gz RFMKTMNFDUBYQQ-AWEZNQCLSA-N 1 2 294.395 1.581 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](CC(=O)OCC)C2CCCC2)C1=O ZINC000337189403 538436418 /nfs/dbraw/zinc/43/64/18/538436418.db2.gz RFMKTMNFDUBYQQ-AWEZNQCLSA-N 1 2 294.395 1.581 20 30 CDEDLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CCCOCC1 ZINC000329443005 538569326 /nfs/dbraw/zinc/56/93/26/538569326.db2.gz LIAIBAOSZCRUJJ-UHFFFAOYSA-N 1 2 252.318 1.337 20 30 CDEDLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CCCOCC1 ZINC000329443005 538569331 /nfs/dbraw/zinc/56/93/31/538569331.db2.gz LIAIBAOSZCRUJJ-UHFFFAOYSA-N 1 2 252.318 1.337 20 30 CDEDLO Cn1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3C#N)C2=O)n1 ZINC000329556007 538583199 /nfs/dbraw/zinc/58/31/99/538583199.db2.gz DVTSWNFDQOWSIU-UPJWGTAASA-N 1 2 287.367 1.197 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3C)n2C)CC1 ZINC000282055178 545551130 /nfs/dbraw/zinc/55/11/30/545551130.db2.gz AHXWFPDWKCUCNT-UHFFFAOYSA-N 1 2 295.390 1.546 20 30 CDEDLO O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCc1c[nH+]c[nH]1 ZINC000329741740 538634023 /nfs/dbraw/zinc/63/40/23/538634023.db2.gz OXDVDMDBYYSGIC-PHIMTYICSA-N 1 2 290.323 1.041 20 30 CDEDLO O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCc1c[nH]c[nH+]1 ZINC000329741740 538634032 /nfs/dbraw/zinc/63/40/32/538634032.db2.gz OXDVDMDBYYSGIC-PHIMTYICSA-N 1 2 290.323 1.041 20 30 CDEDLO C=CCOCC(=O)OCc1cn2cccc(C)c2[nH+]1 ZINC000729758496 574822560 /nfs/dbraw/zinc/82/25/60/574822560.db2.gz MFMNQMDQCKOJDU-UHFFFAOYSA-N 1 2 260.293 1.889 20 30 CDEDLO C=C(C)CN(CC)C(=O)COC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000741147112 574987690 /nfs/dbraw/zinc/98/76/90/574987690.db2.gz GWZTYWPYRUEYQT-CQSZACIVSA-N 1 2 296.411 1.829 20 30 CDEDLO C=C(C)CN(CC)C(=O)COC(=O)[C@H]1CCCC[N@H+]1CC ZINC000741147112 574987691 /nfs/dbraw/zinc/98/76/91/574987691.db2.gz GWZTYWPYRUEYQT-CQSZACIVSA-N 1 2 296.411 1.829 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnc(C2CC2)nc1 ZINC000732071118 575078433 /nfs/dbraw/zinc/07/84/33/575078433.db2.gz GAJFIFATRMKJKU-ZDUSSCGKSA-N 1 2 270.336 1.390 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnc(C2CC2)nc1 ZINC000732071118 575078434 /nfs/dbraw/zinc/07/84/34/575078434.db2.gz GAJFIFATRMKJKU-ZDUSSCGKSA-N 1 2 270.336 1.390 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccccc1OCC#N ZINC000732095098 575079461 /nfs/dbraw/zinc/07/94/61/575079461.db2.gz UVQKMWKXFDQOFQ-UHFFFAOYSA-N 1 2 270.292 1.584 20 30 CDEDLO C=CCn1nnn(C[N@@H+](CCC(=O)OC)C(C)C)c1=S ZINC000733185250 575104238 /nfs/dbraw/zinc/10/42/38/575104238.db2.gz XOGWCUJMDRTBIG-UHFFFAOYSA-N 1 2 299.400 1.226 20 30 CDEDLO C=CCn1nnn(C[N@H+](CCC(=O)OC)C(C)C)c1=S ZINC000733185250 575104239 /nfs/dbraw/zinc/10/42/39/575104239.db2.gz XOGWCUJMDRTBIG-UHFFFAOYSA-N 1 2 299.400 1.226 20 30 CDEDLO CCS(=O)(=O)C=C(C)NNc1nc(C)cc(C)[nH+]1 ZINC000733743217 575137675 /nfs/dbraw/zinc/13/76/75/575137675.db2.gz KLVJIMNFPZZBDS-UHFFFAOYSA-N 1 2 270.358 1.316 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ccnc(OC(C)C)c2)CC1 ZINC000759790725 576430675 /nfs/dbraw/zinc/43/06/75/576430675.db2.gz PNRSQGNUPDLDOH-UHFFFAOYSA-N 1 2 287.363 1.260 20 30 CDEDLO CCOCCO[NH+]=Cc1cnc(N2CCOCC2)s1 ZINC000774416445 575203677 /nfs/dbraw/zinc/20/36/77/575203677.db2.gz HSFXSTJKBIJNRE-UHFFFAOYSA-N 1 2 285.369 1.367 20 30 CDEDLO CN(CCO)c1ccc(C=[NH+]N2CCCC2=O)cc1 ZINC000769588728 575361820 /nfs/dbraw/zinc/36/18/20/575361820.db2.gz GIPXOAUVERVVBK-UHFFFAOYSA-N 1 2 261.325 1.071 20 30 CDEDLO C#C[C@H](NC(=O)NCCCCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000773228817 575793546 /nfs/dbraw/zinc/79/35/46/575793546.db2.gz JLWJWOIESFYLFF-KBPBESRZSA-N 1 2 290.367 1.143 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CCC(=O)NC1=NO[C@H](C)C1 ZINC000773539606 575821712 /nfs/dbraw/zinc/82/17/12/575821712.db2.gz XTUAPZRPRPMLAU-SNVBAGLBSA-N 1 2 286.335 1.973 20 30 CDEDLO CC#CC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000764246994 575895482 /nfs/dbraw/zinc/89/54/82/575895482.db2.gz IXTMKINFQANBIZ-UHFFFAOYSA-N 1 2 289.354 1.087 20 30 CDEDLO C#CCC(C)(C)C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000767079041 576158741 /nfs/dbraw/zinc/15/87/41/576158741.db2.gz VRPMXSMLTIKNRL-UHFFFAOYSA-N 1 2 288.395 1.114 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cn1 ZINC000768142647 576260873 /nfs/dbraw/zinc/26/08/73/576260873.db2.gz JSLIULIYQQJRIU-CQSZACIVSA-N 1 2 294.358 1.816 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(OCC(N)=O)cc1 ZINC000759372344 576384086 /nfs/dbraw/zinc/38/40/86/576384086.db2.gz WHZFAPMSGCOJEI-NSHDSACASA-N 1 2 261.325 1.285 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(OCC(N)=O)cc1 ZINC000759372344 576384089 /nfs/dbraw/zinc/38/40/89/576384089.db2.gz WHZFAPMSGCOJEI-NSHDSACASA-N 1 2 261.325 1.285 20 30 CDEDLO C#CCSCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000739825302 576387129 /nfs/dbraw/zinc/38/71/29/576387129.db2.gz CXISQVMCTCGGMJ-UHFFFAOYSA-N 1 2 287.388 1.668 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)[C@@H](C)COc2ccccc2)CC1 ZINC000760584582 576495020 /nfs/dbraw/zinc/49/50/20/576495020.db2.gz IVBAVRUXTAQXNB-HNNXBMFYSA-N 1 2 286.375 1.479 20 30 CDEDLO Cc1ncc(CO)c(/C=N/Cc2ccn3cc[nH+]c3c2)c1O ZINC000761785902 576593703 /nfs/dbraw/zinc/59/37/03/576593703.db2.gz LOLBKOZMZZQZKI-RQZCQDPDSA-N 1 2 296.330 1.855 20 30 CDEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)[C@@H]1CCCOC1 ZINC000761861514 576599170 /nfs/dbraw/zinc/59/91/70/576599170.db2.gz ZMJXPCUWJHQDJM-GFCCVEGCSA-N 1 2 286.339 1.877 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000744419313 576679997 /nfs/dbraw/zinc/67/99/97/576679997.db2.gz YFHKUJUPDSOXGJ-GJZGRUSLSA-N 1 2 262.397 1.980 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2cc(-c3ccco3)n[nH]2)CC1 ZINC000744422466 576680039 /nfs/dbraw/zinc/68/00/39/576680039.db2.gz UQGAYRQJDXHPMW-UHFFFAOYSA-N 1 2 284.319 1.061 20 30 CDEDLO C#CCNC(=O)C[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000763821779 576759340 /nfs/dbraw/zinc/75/93/40/576759340.db2.gz ACZVYPYZMDMGJS-UHFFFAOYSA-N 1 2 268.719 1.660 20 30 CDEDLO C#CCNC(=O)C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000763821779 576759341 /nfs/dbraw/zinc/75/93/41/576759341.db2.gz ACZVYPYZMDMGJS-UHFFFAOYSA-N 1 2 268.719 1.660 20 30 CDEDLO C#CCNC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000746744028 576790430 /nfs/dbraw/zinc/79/04/30/576790430.db2.gz PZOBWPHSGXOBCA-UHFFFAOYSA-N 1 2 256.309 1.118 20 30 CDEDLO CCCCCC=NNC(=S)NCC[NH+]1CCOCC1 ZINC000755497816 576946855 /nfs/dbraw/zinc/94/68/55/576946855.db2.gz AYXZWHNEJFVMGJ-UHFFFAOYSA-N 1 2 286.445 1.349 20 30 CDEDLO Cc1nc(C#N)c(N=NCc2c[nH+]c3ccccn23)o1 ZINC000755661109 576954150 /nfs/dbraw/zinc/95/41/50/576954150.db2.gz NJIBBTZETMADDF-UHFFFAOYSA-N 1 2 266.264 1.948 20 30 CDEDLO COCCCNC(=O)[C@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000749787468 576962042 /nfs/dbraw/zinc/96/20/42/576962042.db2.gz OMUYYTKGAXXIHF-JTQLQIEISA-N 1 2 297.330 1.004 20 30 CDEDLO C[NH+]1CCN(N=Cc2cc(F)c(O)c(F)c2)CC1 ZINC000749853240 576966311 /nfs/dbraw/zinc/96/63/11/576966311.db2.gz FKZYWJKHLBFSES-UHFFFAOYSA-N 1 2 255.268 1.252 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)/C=C\c2ccccc2C#N)CCO1 ZINC000750746338 577004165 /nfs/dbraw/zinc/00/41/65/577004165.db2.gz KHUOFKICRUNQOB-AFNCTOJWSA-N 1 2 299.374 1.408 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)/C=C\c2ccccc2C#N)CCO1 ZINC000750746338 577004166 /nfs/dbraw/zinc/00/41/66/577004166.db2.gz KHUOFKICRUNQOB-AFNCTOJWSA-N 1 2 299.374 1.408 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCN(C)c3ccccc32)CC1 ZINC000750777886 577005564 /nfs/dbraw/zinc/00/55/64/577005564.db2.gz PBWDQDRFKWEZIC-MRXNPFEDSA-N 1 2 297.402 1.388 20 30 CDEDLO C#CCNC(=S)N1CC[NH+](Cc2ccsc2)CC1 ZINC000758182189 577077718 /nfs/dbraw/zinc/07/77/18/577077718.db2.gz AYJZDTIGVLSGLP-UHFFFAOYSA-N 1 2 279.434 1.373 20 30 CDEDLO Cc1ccn(C[N@@H+]2CCS[C@H](C)C2)c(=O)c1C#N ZINC000758221838 577085046 /nfs/dbraw/zinc/08/50/46/577085046.db2.gz YGDVPNIWOJPCRP-LLVKDONJSA-N 1 2 263.366 1.423 20 30 CDEDLO Cc1ccn(C[N@H+]2CCS[C@H](C)C2)c(=O)c1C#N ZINC000758221838 577085048 /nfs/dbraw/zinc/08/50/48/577085048.db2.gz YGDVPNIWOJPCRP-LLVKDONJSA-N 1 2 263.366 1.423 20 30 CDEDLO CCc1cnc(C[NH2+][C@@H]2CCCN(O)C2=O)s1 ZINC000895162384 619381942 /nfs/dbraw/zinc/38/19/42/619381942.db2.gz YGYONGNOVMGSLU-SECBINFHSA-N 1 2 255.343 1.175 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cn(C(C)C)cn2)C1 ZINC000950979265 612992592 /nfs/dbraw/zinc/99/25/92/612992592.db2.gz HIXFATLJKMYZIT-UHFFFAOYSA-N 1 2 288.395 1.634 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2nn(C)cc2Cl)C1 ZINC000950411895 612993385 /nfs/dbraw/zinc/99/33/85/612993385.db2.gz BGCXHYVCXWNIKP-UHFFFAOYSA-N 1 2 294.786 1.243 20 30 CDEDLO C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1[nH]ncc1F ZINC000969011587 613147370 /nfs/dbraw/zinc/14/73/70/613147370.db2.gz SDZCHVSSKXAXOQ-LLVKDONJSA-N 1 2 278.331 1.156 20 30 CDEDLO C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1[nH]ncc1F ZINC000969011587 613147371 /nfs/dbraw/zinc/14/73/71/613147371.db2.gz SDZCHVSSKXAXOQ-LLVKDONJSA-N 1 2 278.331 1.156 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2cc3ncccc3o2)CC1 ZINC000981631490 613157939 /nfs/dbraw/zinc/15/79/39/613157939.db2.gz JJWXJHYCDJZWJZ-UHFFFAOYSA-N 1 2 283.331 1.609 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc3ncccc3o2)CC1 ZINC000981631490 613157942 /nfs/dbraw/zinc/15/79/42/613157942.db2.gz JJWXJHYCDJZWJZ-UHFFFAOYSA-N 1 2 283.331 1.609 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2nc(C3CC3)oc2C)CC1 ZINC000983197555 613160273 /nfs/dbraw/zinc/16/02/73/613160273.db2.gz IBFQWOFSRLIDSN-UHFFFAOYSA-N 1 2 287.363 1.642 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2nc(C3CC3)oc2C)CC1 ZINC000983197555 613160274 /nfs/dbraw/zinc/16/02/74/613160274.db2.gz IBFQWOFSRLIDSN-UHFFFAOYSA-N 1 2 287.363 1.642 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C3CC=CC3)CC2)C1 ZINC000949329250 613210577 /nfs/dbraw/zinc/21/05/77/613210577.db2.gz PKEAPYBLVOVBAP-UHFFFAOYSA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C3CC=CC3)CC2)C1 ZINC000949329250 613210578 /nfs/dbraw/zinc/21/05/78/613210578.db2.gz PKEAPYBLVOVBAP-UHFFFAOYSA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)C=C)C2)C1 ZINC000972503974 613210962 /nfs/dbraw/zinc/21/09/62/613210962.db2.gz KOTOEELFARQALB-INIZCTEOSA-N 1 2 276.380 1.135 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)C=C)C2)C1 ZINC000972503974 613210963 /nfs/dbraw/zinc/21/09/63/613210963.db2.gz KOTOEELFARQALB-INIZCTEOSA-N 1 2 276.380 1.135 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(OC)ns2)C1 ZINC000966196924 613253222 /nfs/dbraw/zinc/25/32/22/613253222.db2.gz JNADNRBIEVJLBE-WDEREUQCSA-N 1 2 293.392 1.225 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(OC)ns2)C1 ZINC000966196924 613253223 /nfs/dbraw/zinc/25/32/23/613253223.db2.gz JNADNRBIEVJLBE-WDEREUQCSA-N 1 2 293.392 1.225 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2sccc2F)C(C)(C)C1 ZINC000974552696 613285407 /nfs/dbraw/zinc/28/54/07/613285407.db2.gz NPJNVTNDBYNINP-LLVKDONJSA-N 1 2 280.368 1.961 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2sccc2F)C(C)(C)C1 ZINC000974552696 613285408 /nfs/dbraw/zinc/28/54/08/613285408.db2.gz NPJNVTNDBYNINP-LLVKDONJSA-N 1 2 280.368 1.961 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(C)n[nH]2)C1 ZINC000949726954 613295943 /nfs/dbraw/zinc/29/59/43/613295943.db2.gz QKPQFLGBCDQPES-UHFFFAOYSA-N 1 2 262.357 1.441 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c(C)nc[nH]c2=O)C1 ZINC000951218315 613296029 /nfs/dbraw/zinc/29/60/29/613296029.db2.gz TUDQHWSQIGTQHL-UHFFFAOYSA-N 1 2 290.367 1.213 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ncnc3[nH]ccc32)C1 ZINC000950763245 613298228 /nfs/dbraw/zinc/29/82/28/613298228.db2.gz PSOYKDURWRNZRL-UHFFFAOYSA-N 1 2 299.378 1.632 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc(C)nc2OC)CC1 ZINC000951368454 613320488 /nfs/dbraw/zinc/32/04/88/613320488.db2.gz PAQGHDDNWNNTJK-UHFFFAOYSA-N 1 2 289.379 1.733 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cn(CCC)nn2)CC1 ZINC000952449278 613321405 /nfs/dbraw/zinc/32/14/05/613321405.db2.gz CTXDJXVZJKJNPU-UHFFFAOYSA-N 1 2 277.372 1.022 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2coc(OCC)n2)CC1 ZINC000949103815 613321754 /nfs/dbraw/zinc/32/17/54/613321754.db2.gz ULBXHCBASVVYJH-UHFFFAOYSA-N 1 2 279.340 1.407 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2c(C)cnn2C)C1 ZINC000970298023 613371786 /nfs/dbraw/zinc/37/17/86/613371786.db2.gz MREGFCYUNYBWCD-LLVKDONJSA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccn(CC)n2)C1 ZINC000970529123 613371851 /nfs/dbraw/zinc/37/18/51/613371851.db2.gz MJMWSQHZPSCAKU-LLVKDONJSA-N 1 2 296.802 1.706 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CC2(F)F)CC1 ZINC000981113936 613373952 /nfs/dbraw/zinc/37/39/52/613373952.db2.gz UTQWJKSUOMFOAR-SNVBAGLBSA-N 1 2 278.730 1.928 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CC2(F)F)CC1 ZINC000981113936 613373953 /nfs/dbraw/zinc/37/39/53/613373953.db2.gz UTQWJKSUOMFOAR-SNVBAGLBSA-N 1 2 278.730 1.928 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H](C)n2cccn2)CC1 ZINC000957116042 613563033 /nfs/dbraw/zinc/56/30/33/613563033.db2.gz ZZPUWJGFGFFOAV-AWEZNQCLSA-N 1 2 274.368 1.002 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(C)CC3)C2)C1 ZINC000972398913 613570092 /nfs/dbraw/zinc/57/00/92/613570092.db2.gz ZWVNRNDIRPTMGG-INIZCTEOSA-N 1 2 276.380 1.113 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(C)CC3)C2)C1 ZINC000972398913 613570095 /nfs/dbraw/zinc/57/00/95/613570095.db2.gz ZWVNRNDIRPTMGG-INIZCTEOSA-N 1 2 276.380 1.113 20 30 CDEDLO O=C(NCC#C[C@@H]1CCCCO1)[C@H]1CCc2[nH+]ccn2C1 ZINC000891117593 617366044 /nfs/dbraw/zinc/36/60/44/617366044.db2.gz WXTJRQBKCHWQJM-KBPBESRZSA-N 1 2 287.363 1.134 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2Cc3ccncc3C2)C1 ZINC000951756920 613655976 /nfs/dbraw/zinc/65/59/76/613655976.db2.gz GCULDHZFTZTTTG-AWEZNQCLSA-N 1 2 285.391 1.515 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CC2CC(F)(F)C2)CC1 ZINC000948929491 613707720 /nfs/dbraw/zinc/70/77/20/613707720.db2.gz XTGIUKUGQBUIHQ-UHFFFAOYSA-N 1 2 258.312 1.752 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2CCC[C@@H](OC)C2)CC1 ZINC000948689824 613708933 /nfs/dbraw/zinc/70/89/33/613708933.db2.gz CJFGLSYRKUMVTK-HUUCEWRRSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc3c(cn2)CCCC3)CC1 ZINC000949205813 613715071 /nfs/dbraw/zinc/71/50/71/613715071.db2.gz QPHBDPFVDKQZAP-UHFFFAOYSA-N 1 2 285.391 1.904 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccnc(C3CC3)n2)CC1 ZINC000951122463 613717651 /nfs/dbraw/zinc/71/76/51/613717651.db2.gz IIWXJGZXWUXHCE-UHFFFAOYSA-N 1 2 272.352 1.298 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnn(CC)c2C)CC1 ZINC000952379341 613718804 /nfs/dbraw/zinc/71/88/04/613718804.db2.gz RIHUHYMKZDNGHR-UHFFFAOYSA-N 1 2 262.357 1.155 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccc[nH]3)C2)C1 ZINC000972683118 613723664 /nfs/dbraw/zinc/72/36/64/613723664.db2.gz LPTUBOIAKXEGPQ-INIZCTEOSA-N 1 2 289.379 1.047 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccc[nH]3)C2)C1 ZINC000972683118 613723665 /nfs/dbraw/zinc/72/36/65/613723665.db2.gz LPTUBOIAKXEGPQ-INIZCTEOSA-N 1 2 289.379 1.047 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(C)CC3)C2)C1 ZINC000972395169 613725088 /nfs/dbraw/zinc/72/50/88/613725088.db2.gz AEGXZZNIDVYGLL-OAHLLOKOSA-N 1 2 264.369 1.276 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(C)CC3)C2)C1 ZINC000972395169 613725091 /nfs/dbraw/zinc/72/50/91/613725091.db2.gz AEGXZZNIDVYGLL-OAHLLOKOSA-N 1 2 264.369 1.276 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC34CC4)C2)C1 ZINC000972572342 613726597 /nfs/dbraw/zinc/72/65/97/613726597.db2.gz QCZXHLUXLYFDCC-CZUORRHYSA-N 1 2 276.380 1.276 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC34CC4)C2)C1 ZINC000972572342 613726600 /nfs/dbraw/zinc/72/66/00/613726600.db2.gz QCZXHLUXLYFDCC-CZUORRHYSA-N 1 2 276.380 1.276 20 30 CDEDLO C=CC[N@H+](CN1C[C@H](C(C)C)CC1=O)[C@@H](C)COC ZINC000853535224 617415659 /nfs/dbraw/zinc/41/56/59/617415659.db2.gz RJODFSKSAYJBJC-UONOGXRCSA-N 1 2 268.401 1.971 20 30 CDEDLO C=CC[N@@H+](CN1C[C@H](C(C)C)CC1=O)[C@@H](C)COC ZINC000853535224 617415661 /nfs/dbraw/zinc/41/56/61/617415661.db2.gz RJODFSKSAYJBJC-UONOGXRCSA-N 1 2 268.401 1.971 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933398257 617415799 /nfs/dbraw/zinc/41/57/99/617415799.db2.gz AIYFHOQHOBKSNT-NSHDSACASA-N 1 2 288.351 1.170 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933398257 617415803 /nfs/dbraw/zinc/41/58/03/617415803.db2.gz AIYFHOQHOBKSNT-NSHDSACASA-N 1 2 288.351 1.170 20 30 CDEDLO Fc1ccc(C#CC[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC000119700084 617494220 /nfs/dbraw/zinc/49/42/20/617494220.db2.gz ZRAPPIDWKACIMI-UHFFFAOYSA-N 1 2 261.296 1.626 20 30 CDEDLO Fc1ccc(C#CC[N@H+]2CCC3(C2)OCCO3)cc1 ZINC000119700084 617494222 /nfs/dbraw/zinc/49/42/22/617494222.db2.gz ZRAPPIDWKACIMI-UHFFFAOYSA-N 1 2 261.296 1.626 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCc3n[nH]c(=O)cc3C2)cs1 ZINC000893673420 617824963 /nfs/dbraw/zinc/82/49/63/617824963.db2.gz LHVCXCWRVQFCQA-UHFFFAOYSA-N 1 2 272.333 1.674 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)cs1 ZINC000893673420 617824965 /nfs/dbraw/zinc/82/49/65/617824965.db2.gz LHVCXCWRVQFCQA-UHFFFAOYSA-N 1 2 272.333 1.674 20 30 CDEDLO C#CC1CC[NH+](Cc2nnnn2-c2ccccc2)CC1 ZINC000830301378 618625841 /nfs/dbraw/zinc/62/58/41/618625841.db2.gz LBUFFSXAWCJEDE-UHFFFAOYSA-N 1 2 267.336 1.508 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2c(F)cccc2Cl)CCCN1O ZINC000895167267 619397979 /nfs/dbraw/zinc/39/79/79/619397979.db2.gz XVTNIWCSIXGMLL-LLVKDONJSA-N 1 2 272.707 1.949 20 30 CDEDLO Cc1nc(CN2CC[NH+](CC(C)(C)CCC#N)CC2)n[nH]1 ZINC000895265952 619507313 /nfs/dbraw/zinc/50/73/13/619507313.db2.gz XYECXNGLQFOCBU-UHFFFAOYSA-N 1 2 290.415 1.561 20 30 CDEDLO C#CCSCC(=O)NCCCNc1cccc[nH+]1 ZINC000896340785 620062795 /nfs/dbraw/zinc/06/27/95/620062795.db2.gz JMYQFRTWXSVEDY-UHFFFAOYSA-N 1 2 263.366 1.366 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)nc1 ZINC000898490946 621761506 /nfs/dbraw/zinc/76/15/06/621761506.db2.gz KCNQJUMHTBJYAB-ZDUSSCGKSA-N 1 2 275.327 1.227 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCF)C2)nc1 ZINC000898490946 621761509 /nfs/dbraw/zinc/76/15/09/621761509.db2.gz KCNQJUMHTBJYAB-ZDUSSCGKSA-N 1 2 275.327 1.227 20 30 CDEDLO C#CCC[N@@H+](CCOC)CN1Cc2ccccc2C1=O ZINC000902319171 624643310 /nfs/dbraw/zinc/64/33/10/624643310.db2.gz SIONJPNYQAWYGS-UHFFFAOYSA-N 1 2 272.348 1.572 20 30 CDEDLO C#CCC[N@H+](CCOC)CN1Cc2ccccc2C1=O ZINC000902319171 624643311 /nfs/dbraw/zinc/64/33/11/624643311.db2.gz SIONJPNYQAWYGS-UHFFFAOYSA-N 1 2 272.348 1.572 20 30 CDEDLO Cn1cc([C@H]2CN(C(=O)c3cccc(C#N)c3)CC[NH2+]2)cn1 ZINC000913474777 630498645 /nfs/dbraw/zinc/49/86/45/630498645.db2.gz HALKCUONPXEWJA-OAHLLOKOSA-N 1 2 295.346 1.078 20 30 CDEDLO Cc1cc(C)c(C(=O)N2CCN(CCC#N)CC2)c(C)[nH+]1 ZINC000913760974 630746056 /nfs/dbraw/zinc/74/60/56/630746056.db2.gz VCOOHPKHVIUFBT-UHFFFAOYSA-N 1 2 286.379 1.678 20 30 CDEDLO C#CC[C@@H](CO)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000914420105 631421453 /nfs/dbraw/zinc/42/14/53/631421453.db2.gz JKWQJFGMZTVSCQ-AWEZNQCLSA-N 1 2 298.346 1.056 20 30 CDEDLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(C#N)[nH]2)c1C ZINC000120159188 1158450581 /nfs/dbraw/zinc/45/05/81/1158450581.db2.gz DHHUFHOWCUXYTH-UHFFFAOYSA-N 1 2 284.319 1.837 20 30 CDEDLO CC(C)C#CC(=O)N[C@@H](C)C[NH2+]Cc1nc(C2CC2)no1 ZINC001754265901 1159025556 /nfs/dbraw/zinc/02/55/56/1159025556.db2.gz ABCOBRVJGBTMSJ-NSHDSACASA-N 1 2 290.367 1.201 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2ccc(OC)o2)C1 ZINC001754584503 1159300755 /nfs/dbraw/zinc/30/07/55/1159300755.db2.gz DEHWEJNYMFJPMD-UHFFFAOYSA-N 1 2 294.351 1.247 20 30 CDEDLO C=CCCC(=O)NC[C@@H](C)[NH2+][C@H](C)c1nc(CC)no1 ZINC001752864363 1160776311 /nfs/dbraw/zinc/77/63/11/1160776311.db2.gz PVZUWXCLHAOVGD-GHMZBOCLSA-N 1 2 280.372 1.754 20 30 CDEDLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)Nc1ccc(C#N)cn1 ZINC001113081438 1162094897 /nfs/dbraw/zinc/09/48/97/1162094897.db2.gz CXENTVKHWCUJTG-VXGBXAGGSA-N 1 2 298.350 1.155 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCCOCCOCC)CC1 ZINC001113536407 1162208701 /nfs/dbraw/zinc/20/87/01/1162208701.db2.gz PFFHNBWRTSIDFZ-UHFFFAOYSA-N 1 2 284.400 1.150 20 30 CDEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001132569367 1163377514 /nfs/dbraw/zinc/37/75/14/1163377514.db2.gz PHCQENPFNZWCIW-ZYHUDNBSSA-N 1 2 265.357 1.647 20 30 CDEDLO Cc1cccc(CCCNc2cnc(C#N)c(C#N)n2)[nH+]1 ZINC001307115919 1167456061 /nfs/dbraw/zinc/45/60/61/1167456061.db2.gz XPBKSRMGRXUBFY-UHFFFAOYSA-N 1 2 278.319 1.968 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)CN[C@@H](c1ccccc1)C(F)F ZINC001646517277 1167895005 /nfs/dbraw/zinc/89/50/05/1167895005.db2.gz RJSTVHKOLZQEEX-KBPBESRZSA-N 1 2 297.349 1.789 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)CN[C@@H](c1ccccc1)C(F)F ZINC001646517277 1167895009 /nfs/dbraw/zinc/89/50/09/1167895009.db2.gz RJSTVHKOLZQEEX-KBPBESRZSA-N 1 2 297.349 1.789 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1csc(C#N)c1 ZINC001647434984 1168685428 /nfs/dbraw/zinc/68/54/28/1168685428.db2.gz APYRNKZZBNZPLC-GFCCVEGCSA-N 1 2 293.392 1.460 20 30 CDEDLO N#CC1(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCOCC1 ZINC001649698688 1169293720 /nfs/dbraw/zinc/29/37/20/1169293720.db2.gz LAZQSZGYEQKATA-GFCCVEGCSA-N 1 2 288.351 1.436 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1CC[C@H]1CCc2ccccc21 ZINC001580045241 1172332802 /nfs/dbraw/zinc/33/28/02/1172332802.db2.gz RAIPZGLNFHLLTG-HUUCEWRRSA-N 1 2 255.365 1.904 20 30 CDEDLO N#CC1(C[NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)CC1 ZINC001601056242 1174718404 /nfs/dbraw/zinc/71/84/04/1174718404.db2.gz UQJJWIMARNDMGY-UHFFFAOYSA-N 1 2 265.357 1.209 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccncc1 ZINC001714578638 1179236875 /nfs/dbraw/zinc/23/68/75/1179236875.db2.gz STNRJSQQAHVDMX-UHFFFAOYSA-N 1 2 267.760 1.886 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccncc1 ZINC001714578638 1179236880 /nfs/dbraw/zinc/23/68/80/1179236880.db2.gz STNRJSQQAHVDMX-UHFFFAOYSA-N 1 2 267.760 1.886 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](C)OCC ZINC001715513669 1179691403 /nfs/dbraw/zinc/69/14/03/1179691403.db2.gz MNTFGNFYLNPRRW-NSHDSACASA-N 1 2 262.781 1.554 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](C)OCC ZINC001715513669 1179691406 /nfs/dbraw/zinc/69/14/06/1179691406.db2.gz MNTFGNFYLNPRRW-NSHDSACASA-N 1 2 262.781 1.554 20 30 CDEDLO N#CCSCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000171064381 1181235487 /nfs/dbraw/zinc/23/54/87/1181235487.db2.gz IWQWHZBGNWOBMN-UHFFFAOYSA-N 1 2 264.354 1.303 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000186314364 1184162437 /nfs/dbraw/zinc/16/24/37/1184162437.db2.gz OYGALJDJHMBWLG-UHFFFAOYSA-N 1 2 253.349 1.618 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)OCc1ccccc1 ZINC001753424569 1185199386 /nfs/dbraw/zinc/19/93/86/1185199386.db2.gz CPEXIIKIKIKQED-PVAVHDDUSA-N 1 2 298.386 1.510 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)OCc1ccccc1 ZINC001753424569 1185199390 /nfs/dbraw/zinc/19/93/90/1185199390.db2.gz CPEXIIKIKIKQED-PVAVHDDUSA-N 1 2 298.386 1.510 20 30 CDEDLO C=CCCC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)c1nc(C)no1 ZINC001753681704 1185298975 /nfs/dbraw/zinc/29/89/75/1185298975.db2.gz BVODFGPEWPSZKG-QWRGUYRKSA-N 1 2 280.372 1.842 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC(=C)Cl ZINC001754325717 1185578020 /nfs/dbraw/zinc/57/80/20/1185578020.db2.gz UPYLLDGNOXHYGU-UPJWGTAASA-N 1 2 286.803 1.767 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC(=C)Cl ZINC001754325717 1185578027 /nfs/dbraw/zinc/57/80/27/1185578027.db2.gz UPYLLDGNOXHYGU-UPJWGTAASA-N 1 2 286.803 1.767 20 30 CDEDLO CC#CC[NH2+]C[C@H](NC(=O)C(F)C(F)(F)F)C1CC1 ZINC001754440233 1185618757 /nfs/dbraw/zinc/61/87/57/1185618757.db2.gz CARMWKSTZWBHFR-VHSXEESVSA-N 1 2 280.265 1.395 20 30 CDEDLO CC#CC[NH2+]C[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC001754440233 1185618761 /nfs/dbraw/zinc/61/87/61/1185618761.db2.gz CARMWKSTZWBHFR-VHSXEESVSA-N 1 2 280.265 1.395 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1(C)C(C)(C)C1(C)C ZINC001754505142 1185647961 /nfs/dbraw/zinc/64/79/61/1185647961.db2.gz QXHDXSMWNOMWKL-LBPRGKRZSA-N 1 2 262.397 1.882 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1(C)C(C)(C)C1(C)C ZINC001754505142 1185647965 /nfs/dbraw/zinc/64/79/65/1185647965.db2.gz QXHDXSMWNOMWKL-LBPRGKRZSA-N 1 2 262.397 1.882 20 30 CDEDLO CCO[C@@H](C)C(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1 ZINC001754547781 1185664540 /nfs/dbraw/zinc/66/45/40/1185664540.db2.gz QPTVYHUFQYZARE-ZDUSSCGKSA-N 1 2 293.411 1.638 20 30 CDEDLO CCO[C@@H](C)C(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1 ZINC001754547781 1185664544 /nfs/dbraw/zinc/66/45/44/1185664544.db2.gz QPTVYHUFQYZARE-ZDUSSCGKSA-N 1 2 293.411 1.638 20 30 CDEDLO C=CCCC[NH+]1CC(N(C)C(=O)c2ncccc2O)C1 ZINC001754573330 1185671075 /nfs/dbraw/zinc/67/10/75/1185671075.db2.gz KAHPVQVMCJUJHJ-UHFFFAOYSA-N 1 2 275.352 1.510 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)CNC(=O)c1[nH]nc2c1CCCCC2 ZINC001755325847 1185918527 /nfs/dbraw/zinc/91/85/27/1185918527.db2.gz DBIMADNTEQRVDM-GFCCVEGCSA-N 1 2 288.395 1.362 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)CNC(=O)c1[nH]nc2c1CCCCC2 ZINC001755325847 1185918532 /nfs/dbraw/zinc/91/85/32/1185918532.db2.gz DBIMADNTEQRVDM-GFCCVEGCSA-N 1 2 288.395 1.362 20 30 CDEDLO C#CC[N@@H+](C)CCN(C(=O)c1cccc2n[nH]cc21)C(C)C ZINC001755813965 1186077163 /nfs/dbraw/zinc/07/71/63/1186077163.db2.gz KERCUQNIVJXUGE-UHFFFAOYSA-N 1 2 298.390 1.979 20 30 CDEDLO C#CC[N@H+](C)CCN(C(=O)c1cccc2n[nH]cc21)C(C)C ZINC001755813965 1186077168 /nfs/dbraw/zinc/07/71/68/1186077168.db2.gz KERCUQNIVJXUGE-UHFFFAOYSA-N 1 2 298.390 1.979 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ncc(Cl)s2)C1 ZINC001033258978 735284368 /nfs/dbraw/zinc/28/43/68/735284368.db2.gz DAIDFSTZXBBGAX-SNVBAGLBSA-N 1 2 297.811 1.966 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2ncc(Cl)s2)C1 ZINC001033258978 735284372 /nfs/dbraw/zinc/28/43/72/735284372.db2.gz DAIDFSTZXBBGAX-SNVBAGLBSA-N 1 2 297.811 1.966 20 30 CDEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(C(=O)OC)cs1 ZINC000852103650 735148102 /nfs/dbraw/zinc/14/81/02/735148102.db2.gz NPKTYZBTWPCZSW-GFCCVEGCSA-N 1 2 252.339 1.821 20 30 CDEDLO CN(C)c1cc(F)c(C=[NH+]N2CCC[C@@H]2CO)cc1F ZINC000863120325 735184453 /nfs/dbraw/zinc/18/44/53/735184453.db2.gz NMUBFTBSCNJEJW-LLVKDONJSA-N 1 2 283.322 1.821 20 30 CDEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)N(C)C)CC2)cc1 ZINC000787773045 735184604 /nfs/dbraw/zinc/18/46/04/735184604.db2.gz MDIATPCNLUUDIA-UHFFFAOYSA-N 1 2 271.364 1.467 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3c(c2)ncn3C)C1 ZINC001030558734 735268431 /nfs/dbraw/zinc/26/84/31/735268431.db2.gz PTQQRISJOLBSRQ-UHFFFAOYSA-N 1 2 282.347 1.011 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2nc3c(s2)CCC3)C1 ZINC001015266114 735306547 /nfs/dbraw/zinc/30/65/47/735306547.db2.gz BECYJUXXUUSWEK-SNVBAGLBSA-N 1 2 275.377 1.069 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2nc3c(s2)CCC3)C1 ZINC001015266114 735306552 /nfs/dbraw/zinc/30/65/52/735306552.db2.gz BECYJUXXUUSWEK-SNVBAGLBSA-N 1 2 275.377 1.069 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccn2nccc12 ZINC001032496956 735326451 /nfs/dbraw/zinc/32/64/51/735326451.db2.gz FBXAUQWDEYCENF-KBPBESRZSA-N 1 2 294.358 1.256 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccn2nccc12 ZINC001032496956 735326452 /nfs/dbraw/zinc/32/64/52/735326452.db2.gz FBXAUQWDEYCENF-KBPBESRZSA-N 1 2 294.358 1.256 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001035540408 735328172 /nfs/dbraw/zinc/32/81/72/735328172.db2.gz AQNJHJKANRSMNJ-HRCADAONSA-N 1 2 292.423 1.816 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001035540408 735328178 /nfs/dbraw/zinc/32/81/78/735328178.db2.gz AQNJHJKANRSMNJ-HRCADAONSA-N 1 2 292.423 1.816 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001032528008 735329826 /nfs/dbraw/zinc/32/98/26/735329826.db2.gz AILULLJQWGVKIS-SOUVJXGZSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001032528008 735329832 /nfs/dbraw/zinc/32/98/32/735329832.db2.gz AILULLJQWGVKIS-SOUVJXGZSA-N 1 2 290.407 1.500 20 30 CDEDLO C=CC[N@@H+](C)CN1C(=O)[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000840050013 735393122 /nfs/dbraw/zinc/39/31/22/735393122.db2.gz WNSBTUOSMLOCQR-GXTWGEPZSA-N 1 2 250.342 1.232 20 30 CDEDLO C=CC[N@H+](C)CN1C(=O)[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000840050013 735393125 /nfs/dbraw/zinc/39/31/25/735393125.db2.gz WNSBTUOSMLOCQR-GXTWGEPZSA-N 1 2 250.342 1.232 20 30 CDEDLO C#CCOc1cccc(Cl)c1C[NH2+][C@@H](C)C(=O)NCC ZINC000778151476 735413589 /nfs/dbraw/zinc/41/35/89/735413589.db2.gz LWUAKEOLYJRKMT-NSHDSACASA-N 1 2 294.782 1.966 20 30 CDEDLO C[C@@]1([NH2+]CCCOc2ccc(C#N)cc2)CCOC1=O ZINC000810094466 735420698 /nfs/dbraw/zinc/42/06/98/735420698.db2.gz CXZSBRHXMLVFFV-OAHLLOKOSA-N 1 2 274.320 1.622 20 30 CDEDLO Cc1ccc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c(C#N)n1 ZINC000881924490 735457850 /nfs/dbraw/zinc/45/78/50/735457850.db2.gz VKQSYQIKDTVFSU-STQMWFEESA-N 1 2 274.368 1.783 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cccnc2)C1 ZINC001010619601 735540663 /nfs/dbraw/zinc/54/06/63/735540663.db2.gz HHFNYOWWVOZTDG-CYBMUJFWSA-N 1 2 279.771 1.567 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cccnc2)C1 ZINC001010619601 735540683 /nfs/dbraw/zinc/54/06/83/735540683.db2.gz HHFNYOWWVOZTDG-CYBMUJFWSA-N 1 2 279.771 1.567 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C2CCC(NC(C)=O)CC2)C1 ZINC001044372270 735781607 /nfs/dbraw/zinc/78/16/07/735781607.db2.gz VNAJGXNVRGXSLU-UHFFFAOYSA-N 1 2 293.411 1.010 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(CC)CC)C[C@@H]21 ZINC001074171612 735810114 /nfs/dbraw/zinc/81/01/14/735810114.db2.gz WEJPWOLULMJUPZ-JKSUJKDBSA-N 1 2 292.423 1.748 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(CC)CC)C[C@@H]21 ZINC001074171612 735810117 /nfs/dbraw/zinc/81/01/17/735810117.db2.gz WEJPWOLULMJUPZ-JKSUJKDBSA-N 1 2 292.423 1.748 20 30 CDEDLO C#CC1(F)CN(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000883525498 735839920 /nfs/dbraw/zinc/83/99/20/735839920.db2.gz HBSHBQWQPZBRQS-UHFFFAOYSA-N 1 2 272.283 1.201 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2nccc3ccsc32)C1 ZINC001030474402 735924727 /nfs/dbraw/zinc/92/47/27/735924727.db2.gz FBRYXQQEHZBDSF-UHFFFAOYSA-N 1 2 285.372 1.734 20 30 CDEDLO C#CCOCCC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000161606178 735945351 /nfs/dbraw/zinc/94/53/51/735945351.db2.gz LGAYVEGYOOAPAY-UHFFFAOYSA-N 1 2 287.363 1.338 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)cc1 ZINC000305746964 736001560 /nfs/dbraw/zinc/00/15/60/736001560.db2.gz RDVKMWRAQXOGSX-XJKCOSOUSA-N 1 2 290.363 1.559 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](CO)OC[C@H]2C)cc1 ZINC000305746964 736001565 /nfs/dbraw/zinc/00/15/65/736001565.db2.gz RDVKMWRAQXOGSX-XJKCOSOUSA-N 1 2 290.363 1.559 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2ccccc12 ZINC001017727142 736002100 /nfs/dbraw/zinc/00/21/00/736002100.db2.gz QJERKJVTQXFPRW-GASCZTMLSA-N 1 2 293.370 1.861 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2ccccc12 ZINC001017727142 736002106 /nfs/dbraw/zinc/00/21/06/736002106.db2.gz QJERKJVTQXFPRW-GASCZTMLSA-N 1 2 293.370 1.861 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cocc1C ZINC001051069213 736049572 /nfs/dbraw/zinc/04/95/72/736049572.db2.gz LXWJEYKCZOGWQR-CYBMUJFWSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cocc1C ZINC001051069213 736049577 /nfs/dbraw/zinc/04/95/77/736049577.db2.gz LXWJEYKCZOGWQR-CYBMUJFWSA-N 1 2 278.352 1.595 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2occc2c1 ZINC001038287225 736051994 /nfs/dbraw/zinc/05/19/94/736051994.db2.gz KNRSJZYNIYHKDA-CQSZACIVSA-N 1 2 268.316 1.870 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2occc2c1 ZINC001038287225 736052002 /nfs/dbraw/zinc/05/20/02/736052002.db2.gz KNRSJZYNIYHKDA-CQSZACIVSA-N 1 2 268.316 1.870 20 30 CDEDLO C#CC[C@H]1CCN(C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000889219555 736181225 /nfs/dbraw/zinc/18/12/25/736181225.db2.gz RQUXSXOYVCUNKE-LBPRGKRZSA-N 1 2 260.341 1.017 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2scnc2C)CC[C@H]1C ZINC001071349928 736189024 /nfs/dbraw/zinc/18/90/24/736189024.db2.gz NJDMCTJJDHJTPA-PWSUYJOCSA-N 1 2 277.393 1.667 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2scnc2C)CC[C@H]1C ZINC001071349928 736189033 /nfs/dbraw/zinc/18/90/33/736189033.db2.gz NJDMCTJJDHJTPA-PWSUYJOCSA-N 1 2 277.393 1.667 20 30 CDEDLO C=CC[N@H+](CN1C[C@]2(CCOC2)CC1=O)[C@H](C)COC ZINC000853534616 736191927 /nfs/dbraw/zinc/19/19/27/736191927.db2.gz KTYNPKRNQBELOH-HIFRSBDPSA-N 1 2 282.384 1.106 20 30 CDEDLO C=CC[N@@H+](CN1C[C@]2(CCOC2)CC1=O)[C@H](C)COC ZINC000853534616 736191940 /nfs/dbraw/zinc/19/19/40/736191940.db2.gz KTYNPKRNQBELOH-HIFRSBDPSA-N 1 2 282.384 1.106 20 30 CDEDLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000930833602 736208204 /nfs/dbraw/zinc/20/82/04/736208204.db2.gz PKEUCAJGJTZXAS-XQQFMLRXSA-N 1 2 287.363 1.534 20 30 CDEDLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCOc1ccc(C#N)cc1 ZINC000930833602 736208215 /nfs/dbraw/zinc/20/82/15/736208215.db2.gz PKEUCAJGJTZXAS-XQQFMLRXSA-N 1 2 287.363 1.534 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(OC)cc(OC)c2)C1 ZINC001031306487 736223676 /nfs/dbraw/zinc/22/36/76/736223676.db2.gz JAUDJAFGSWVVHF-UHFFFAOYSA-N 1 2 290.363 1.694 20 30 CDEDLO COC(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000886856102 736294760 /nfs/dbraw/zinc/29/47/60/736294760.db2.gz GLGNKXUWYVNQLU-AWEZNQCLSA-N 1 2 276.311 1.608 20 30 CDEDLO COC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000886856102 736294767 /nfs/dbraw/zinc/29/47/67/736294767.db2.gz GLGNKXUWYVNQLU-AWEZNQCLSA-N 1 2 276.311 1.608 20 30 CDEDLO Cc1cc([N-][NH+]=Cc2ccc3c(c2)CCN3C)nc(N)[nH+]1 ZINC000872420778 736270400 /nfs/dbraw/zinc/27/04/00/736270400.db2.gz MUKDMUYHPPDAQD-UHFFFAOYSA-N 1 2 282.351 1.806 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2conc2CC)C1 ZINC001035499793 736282681 /nfs/dbraw/zinc/28/26/81/736282681.db2.gz OIRGSBPEFLNTDH-LBPRGKRZSA-N 1 2 293.367 1.244 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2conc2CC)C1 ZINC001035499793 736282688 /nfs/dbraw/zinc/28/26/88/736282688.db2.gz OIRGSBPEFLNTDH-LBPRGKRZSA-N 1 2 293.367 1.244 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2ccc(C)n2)C1 ZINC001033436712 736315364 /nfs/dbraw/zinc/31/53/64/736315364.db2.gz AFXDSBOSYJCXSE-CYBMUJFWSA-N 1 2 296.802 1.477 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ccc(C)n2)C1 ZINC001033436712 736315370 /nfs/dbraw/zinc/31/53/70/736315370.db2.gz AFXDSBOSYJCXSE-CYBMUJFWSA-N 1 2 296.802 1.477 20 30 CDEDLO C#C[C@@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C(C)(C)C ZINC000852341923 733169003 /nfs/dbraw/zinc/16/90/03/733169003.db2.gz ZWEAXWXIPRXBRI-ZIAGYGMSSA-N 1 2 293.411 1.150 20 30 CDEDLO CO[C@H](C)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004358202 733205481 /nfs/dbraw/zinc/20/54/81/733205481.db2.gz NIBYPZJTUWTBNU-OCCSQVGLSA-N 1 2 279.384 1.248 20 30 CDEDLO CO[C@H](C)C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004358202 733205488 /nfs/dbraw/zinc/20/54/88/733205488.db2.gz NIBYPZJTUWTBNU-OCCSQVGLSA-N 1 2 279.384 1.248 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001027833362 733209501 /nfs/dbraw/zinc/20/95/01/733209501.db2.gz MZGIWQKYRTWSAX-LBPRGKRZSA-N 1 2 292.770 1.833 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001027833362 733209508 /nfs/dbraw/zinc/20/95/08/733209508.db2.gz MZGIWQKYRTWSAX-LBPRGKRZSA-N 1 2 292.770 1.833 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccccc2OC)C1 ZINC001031356854 733209819 /nfs/dbraw/zinc/20/98/19/733209819.db2.gz SEOKXZYFGMIJLP-UHFFFAOYSA-N 1 2 274.364 1.614 20 30 CDEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ccon1 ZINC001010334018 733211448 /nfs/dbraw/zinc/21/14/48/733211448.db2.gz JLHPOOBMWVWEGE-OAHLLOKOSA-N 1 2 295.342 1.530 20 30 CDEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ccon1 ZINC001010334018 733211458 /nfs/dbraw/zinc/21/14/58/733211458.db2.gz JLHPOOBMWVWEGE-OAHLLOKOSA-N 1 2 295.342 1.530 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2nccs2)C1 ZINC001027335978 733244013 /nfs/dbraw/zinc/24/40/13/733244013.db2.gz MDCBWNZTJNJHSS-NWDGAFQWSA-N 1 2 292.408 1.726 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2nccs2)C1 ZINC001027335978 733244018 /nfs/dbraw/zinc/24/40/18/733244018.db2.gz MDCBWNZTJNJHSS-NWDGAFQWSA-N 1 2 292.408 1.726 20 30 CDEDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCC#N)c1C ZINC000426427016 733249473 /nfs/dbraw/zinc/24/94/73/733249473.db2.gz ATZNUZDCDOSBFG-UHFFFAOYSA-N 1 2 276.340 1.762 20 30 CDEDLO N#Cc1cc(C(=O)OCc2cccc3[nH+]ccn32)c[nH]1 ZINC000779232104 733317161 /nfs/dbraw/zinc/31/71/61/733317161.db2.gz SQDUWIPEIVFTPU-UHFFFAOYSA-N 1 2 266.260 1.891 20 30 CDEDLO C=CCNC(=S)N[NH+]=Cc1ccc(N(C)C(C)C)nc1 ZINC000790144668 733325254 /nfs/dbraw/zinc/32/52/54/733325254.db2.gz XKRHVHSFMOIWMZ-UHFFFAOYSA-N 1 2 291.424 1.910 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2nc(C)c[nH]2)C1 ZINC001032039855 733338176 /nfs/dbraw/zinc/33/81/76/733338176.db2.gz FWLZJHZCVSIJGS-UHFFFAOYSA-N 1 2 268.748 1.132 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@@H]2C(F)F)C1 ZINC001042916898 733346432 /nfs/dbraw/zinc/34/64/32/733346432.db2.gz XPPJZMSJIBAXLO-NWDGAFQWSA-N 1 2 272.339 1.996 20 30 CDEDLO C[C@@H]1CN=C(N2CC[NH+](CC3(CC#N)CC3)CC2)S1 ZINC000878264934 733366640 /nfs/dbraw/zinc/36/66/40/733366640.db2.gz IOWQRISVIOMBFN-GFCCVEGCSA-N 1 2 278.425 1.789 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868018367 733400160 /nfs/dbraw/zinc/40/01/60/733400160.db2.gz KCKGYFQVMGAHKE-VUDGCMKMSA-N 1 2 252.358 1.346 20 30 CDEDLO COc1cccc(C[NH+]2CCN(C(=O)C#CC3CC3)CC2)c1 ZINC000870159008 733415376 /nfs/dbraw/zinc/41/53/76/733415376.db2.gz SCXNNRSJDUTAER-UHFFFAOYSA-N 1 2 298.386 1.753 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CC[C@H](O)c2ccccc2)nn1 ZINC000881361832 733437810 /nfs/dbraw/zinc/43/78/10/733437810.db2.gz YRRMGPRWUJPCFL-INIZCTEOSA-N 1 2 284.363 1.515 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1(C)CCC1)CO2 ZINC001053895217 733458492 /nfs/dbraw/zinc/45/84/92/733458492.db2.gz BTZUDGQVJPEQMV-ZDUSSCGKSA-N 1 2 276.380 1.159 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2oc(C)nc2C)CC1 ZINC000862385565 733477266 /nfs/dbraw/zinc/47/72/66/733477266.db2.gz OHAYXQLOQJUYDC-UHFFFAOYSA-N 1 2 277.324 1.570 20 30 CDEDLO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cnc(C)s1 ZINC001024358079 733481812 /nfs/dbraw/zinc/48/18/12/733481812.db2.gz AIEFPMFAMHJQGE-GFCCVEGCSA-N 1 2 277.393 1.669 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnc(C)s1 ZINC001024358079 733481822 /nfs/dbraw/zinc/48/18/22/733481822.db2.gz AIEFPMFAMHJQGE-GFCCVEGCSA-N 1 2 277.393 1.669 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cncn2C)C1 ZINC001033885098 733483796 /nfs/dbraw/zinc/48/37/96/733483796.db2.gz NOOXRJBIBLFEGG-LBPRGKRZSA-N 1 2 296.802 1.709 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cncn2C)C1 ZINC001033885098 733483801 /nfs/dbraw/zinc/48/38/01/733483801.db2.gz NOOXRJBIBLFEGG-LBPRGKRZSA-N 1 2 296.802 1.709 20 30 CDEDLO N#CC[C@@]1(O)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000823527558 733488629 /nfs/dbraw/zinc/48/86/29/733488629.db2.gz GFSLBJWNQLDUJV-CQSZACIVSA-N 1 2 270.292 1.054 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnccc1C(F)(F)F ZINC001038754598 733491971 /nfs/dbraw/zinc/49/19/71/733491971.db2.gz KQHUUZFQUZUJMX-JTQLQIEISA-N 1 2 297.280 1.538 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnccc1C(F)(F)F ZINC001038754598 733491976 /nfs/dbraw/zinc/49/19/76/733491976.db2.gz KQHUUZFQUZUJMX-JTQLQIEISA-N 1 2 297.280 1.538 20 30 CDEDLO COc1cc(C#N)ccc1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000934424712 733492939 /nfs/dbraw/zinc/49/29/39/733492939.db2.gz WYWPRCFYSOLVBH-UHFFFAOYSA-N 1 2 284.319 1.837 20 30 CDEDLO N#Cc1ccccc1N1CCC[N@@H+](CN2CCC2=O)CC1 ZINC000857231300 733539639 /nfs/dbraw/zinc/53/96/39/733539639.db2.gz CZUMKNVXEPEIJS-UHFFFAOYSA-N 1 2 284.363 1.260 20 30 CDEDLO N#Cc1ccccc1N1CCC[N@H+](CN2CCC2=O)CC1 ZINC000857231300 733539646 /nfs/dbraw/zinc/53/96/46/733539646.db2.gz CZUMKNVXEPEIJS-UHFFFAOYSA-N 1 2 284.363 1.260 20 30 CDEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000932153636 733572259 /nfs/dbraw/zinc/57/22/59/733572259.db2.gz AMDIIIKSHQFDCN-HZPDHXFCSA-N 1 2 299.374 1.728 20 30 CDEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC000932153636 733572264 /nfs/dbraw/zinc/57/22/64/733572264.db2.gz AMDIIIKSHQFDCN-HZPDHXFCSA-N 1 2 299.374 1.728 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@]1(C)C=CCC1)CO2 ZINC001053896292 733583701 /nfs/dbraw/zinc/58/37/01/733583701.db2.gz VMGCAIAIEQLKIL-GOEBONIOSA-N 1 2 288.391 1.326 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCCO2)C1 ZINC001032920441 733602124 /nfs/dbraw/zinc/60/21/24/733602124.db2.gz RFGJUQLHONSXBI-CHWSQXEVSA-N 1 2 286.803 1.841 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCCO2)C1 ZINC001032920441 733602134 /nfs/dbraw/zinc/60/21/34/733602134.db2.gz RFGJUQLHONSXBI-CHWSQXEVSA-N 1 2 286.803 1.841 20 30 CDEDLO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000311563851 733687254 /nfs/dbraw/zinc/68/72/54/733687254.db2.gz PBEATIRJRXSIBV-NWDGAFQWSA-N 1 2 268.357 1.721 20 30 CDEDLO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000311563851 733687257 /nfs/dbraw/zinc/68/72/57/733687257.db2.gz PBEATIRJRXSIBV-NWDGAFQWSA-N 1 2 268.357 1.721 20 30 CDEDLO N#Cc1ccc(NCC(=O)OCCCn2cc[nH+]c2)cc1 ZINC000783092075 733720079 /nfs/dbraw/zinc/72/00/79/733720079.db2.gz AQJZYGAHSJNWBH-UHFFFAOYSA-N 1 2 284.319 1.800 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2coc(C3CCC3)n2)CC1 ZINC000989442385 733759106 /nfs/dbraw/zinc/75/91/06/733759106.db2.gz HDJHHXPXACOTEE-UHFFFAOYSA-N 1 2 287.363 1.723 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2coc(C3CCC3)n2)CC1 ZINC000989442385 733759112 /nfs/dbraw/zinc/75/91/12/733759112.db2.gz HDJHHXPXACOTEE-UHFFFAOYSA-N 1 2 287.363 1.723 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(OCC)C1 ZINC001017529302 733772690 /nfs/dbraw/zinc/77/26/90/733772690.db2.gz COXSOFZVCSFUCP-IRHLINNNSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(OCC)C1 ZINC001017529302 733772693 /nfs/dbraw/zinc/77/26/93/733772693.db2.gz COXSOFZVCSFUCP-IRHLINNNSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)c(C)c1 ZINC001038811783 733797699 /nfs/dbraw/zinc/79/76/99/733797699.db2.gz QGMDHYBMPXLNMJ-CQSZACIVSA-N 1 2 272.348 1.441 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)c(C)c1 ZINC001038811783 733797706 /nfs/dbraw/zinc/79/77/06/733797706.db2.gz QGMDHYBMPXLNMJ-CQSZACIVSA-N 1 2 272.348 1.441 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(OC2CCC2)c1 ZINC001038868841 733801511 /nfs/dbraw/zinc/80/15/11/733801511.db2.gz OPYRTSASNFIAJN-CQSZACIVSA-N 1 2 299.374 1.450 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc(OC2CCC2)c1 ZINC001038868841 733801513 /nfs/dbraw/zinc/80/15/13/733801513.db2.gz OPYRTSASNFIAJN-CQSZACIVSA-N 1 2 299.374 1.450 20 30 CDEDLO C[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853525651 733820492 /nfs/dbraw/zinc/82/04/92/733820492.db2.gz HUWGCCOZVXBZRY-XHDPSFHLSA-N 1 2 290.367 1.290 20 30 CDEDLO C[C@]1(C2CC2)NC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853525651 733820497 /nfs/dbraw/zinc/82/04/97/733820497.db2.gz HUWGCCOZVXBZRY-XHDPSFHLSA-N 1 2 290.367 1.290 20 30 CDEDLO CC#CC[N@@H+]1C[C@H](NC(=O)c2[nH]nc(C)c2C)CC[C@@H]1C ZINC001071396943 733848766 /nfs/dbraw/zinc/84/87/66/733848766.db2.gz SZDREUOFQGINCG-SMDDNHRTSA-N 1 2 288.395 1.633 20 30 CDEDLO CC#CC[N@H+]1C[C@H](NC(=O)c2[nH]nc(C)c2C)CC[C@@H]1C ZINC001071396943 733848767 /nfs/dbraw/zinc/84/87/67/733848767.db2.gz SZDREUOFQGINCG-SMDDNHRTSA-N 1 2 288.395 1.633 20 30 CDEDLO CCCC1N=NC(=S)N1N=C1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000808008276 733867430 /nfs/dbraw/zinc/86/74/30/733867430.db2.gz CKTMNBRQOUOSEQ-SECBINFHSA-N 1 2 279.413 1.980 20 30 CDEDLO CCCC1N=NC(=S)N1N=C1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000808008276 733867431 /nfs/dbraw/zinc/86/74/31/733867431.db2.gz CKTMNBRQOUOSEQ-SECBINFHSA-N 1 2 279.413 1.980 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001046554476 733870611 /nfs/dbraw/zinc/87/06/11/733870611.db2.gz QHDMXYDTONHHBF-SFTQSGBHSA-N 1 2 284.787 1.212 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001046554476 733870612 /nfs/dbraw/zinc/87/06/12/733870612.db2.gz QHDMXYDTONHHBF-SFTQSGBHSA-N 1 2 284.787 1.212 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCN(C(C)=O)C1 ZINC000856791462 733874108 /nfs/dbraw/zinc/87/41/08/733874108.db2.gz WXJKEKAWWLHXAI-CQSZACIVSA-N 1 2 287.363 1.907 20 30 CDEDLO C=CCC[NH+]1CC(N(C)C(=O)c2snnc2CC)C1 ZINC001043257317 733895867 /nfs/dbraw/zinc/89/58/67/733895867.db2.gz FIPAIJAIEGDYSH-UHFFFAOYSA-N 1 2 280.397 1.433 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCOC[C@@H](C)C1 ZINC000328675154 733950551 /nfs/dbraw/zinc/95/05/51/733950551.db2.gz KMDYZLXPFJOREG-GWCFXTLKSA-N 1 2 294.399 1.982 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCOC[C@@H](C)C1 ZINC000328675154 733950554 /nfs/dbraw/zinc/95/05/54/733950554.db2.gz KMDYZLXPFJOREG-GWCFXTLKSA-N 1 2 294.399 1.982 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3nocc3C)[C@@H]2C1 ZINC001076437806 733961623 /nfs/dbraw/zinc/96/16/23/733961623.db2.gz ZETZRCSLEQRNLO-NWDGAFQWSA-N 1 2 295.770 1.882 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3nocc3C)[C@@H]2C1 ZINC001076437806 733961630 /nfs/dbraw/zinc/96/16/30/733961630.db2.gz ZETZRCSLEQRNLO-NWDGAFQWSA-N 1 2 295.770 1.882 20 30 CDEDLO C#Cc1ccccc1CC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000810335839 733966343 /nfs/dbraw/zinc/96/63/43/733966343.db2.gz ZYNHQWQSKFGBIL-UHFFFAOYSA-N 1 2 292.338 1.895 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1csc(C)n1 ZINC001018245138 734010187 /nfs/dbraw/zinc/01/01/87/734010187.db2.gz GFFZCAJLROJRAE-OKILXGFUSA-N 1 2 289.404 1.302 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1csc(C)n1 ZINC001018245138 734010188 /nfs/dbraw/zinc/01/01/88/734010188.db2.gz GFFZCAJLROJRAE-OKILXGFUSA-N 1 2 289.404 1.302 20 30 CDEDLO C#CCN1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000874468107 734023203 /nfs/dbraw/zinc/02/32/03/734023203.db2.gz CXHVBRYBSRZTRI-HNNXBMFYSA-N 1 2 288.395 1.248 20 30 CDEDLO COc1nccnc1N=NCc1c[nH+]cn1C(C)C ZINC000819812340 734043154 /nfs/dbraw/zinc/04/31/54/734043154.db2.gz LJOZIINHPPVHIR-UHFFFAOYSA-N 1 2 260.301 1.709 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)NC(=O)c1ccc(OC)cc1 ZINC000121430125 734052394 /nfs/dbraw/zinc/05/23/94/734052394.db2.gz BIVLANKUXBMAKH-UHFFFAOYSA-N 1 2 262.309 1.069 20 30 CDEDLO C=CC[N@H+](C)CC(=O)NC(=O)c1ccc(OC)cc1 ZINC000121430125 734052396 /nfs/dbraw/zinc/05/23/96/734052396.db2.gz BIVLANKUXBMAKH-UHFFFAOYSA-N 1 2 262.309 1.069 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cnnn2C)C1 ZINC001034194668 734058920 /nfs/dbraw/zinc/05/89/20/734058920.db2.gz POEKHGRORLAFKR-NSHDSACASA-N 1 2 297.790 1.152 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cnnn2C)C1 ZINC001034194668 734058921 /nfs/dbraw/zinc/05/89/21/734058921.db2.gz POEKHGRORLAFKR-NSHDSACASA-N 1 2 297.790 1.152 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(CF)cc2)C1 ZINC001035625143 734078930 /nfs/dbraw/zinc/07/89/30/734078930.db2.gz NKVJYLWIUWJINI-HNNXBMFYSA-N 1 2 292.354 1.773 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(CF)cc2)C1 ZINC001035625143 734078933 /nfs/dbraw/zinc/07/89/33/734078933.db2.gz NKVJYLWIUWJINI-HNNXBMFYSA-N 1 2 292.354 1.773 20 30 CDEDLO N#CC1(CNC(=O)c2cccc3[nH+]ccn32)CCC1 ZINC000841466854 734079239 /nfs/dbraw/zinc/07/92/39/734079239.db2.gz JZYQKVKZMWJQRK-UHFFFAOYSA-N 1 2 254.293 1.758 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2oc(C)nc21 ZINC001032809489 734080196 /nfs/dbraw/zinc/08/01/96/734080196.db2.gz OSGQVMBSNDIXEG-STQMWFEESA-N 1 2 295.342 1.668 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2oc(C)nc21 ZINC001032809489 734080199 /nfs/dbraw/zinc/08/01/99/734080199.db2.gz OSGQVMBSNDIXEG-STQMWFEESA-N 1 2 295.342 1.668 20 30 CDEDLO C#C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC000807877976 734084370 /nfs/dbraw/zinc/08/43/70/734084370.db2.gz CIEYJISDURICQD-NWDGAFQWSA-N 1 2 259.353 1.610 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)cn1 ZINC001038943125 734095404 /nfs/dbraw/zinc/09/54/04/734095404.db2.gz STBWLUXMISNSTJ-GFCCVEGCSA-N 1 2 277.755 1.562 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)cn1 ZINC001038943125 734095407 /nfs/dbraw/zinc/09/54/07/734095407.db2.gz STBWLUXMISNSTJ-GFCCVEGCSA-N 1 2 277.755 1.562 20 30 CDEDLO CN(C)c1cc(F)c(C=[NH+]N[C@@H]2CCC[C@H]2O)cc1F ZINC000863118900 734145397 /nfs/dbraw/zinc/14/53/97/734145397.db2.gz GBCVYNLFWBLBKJ-TZMCWYRMSA-N 1 2 283.322 1.868 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC2(C1)OCCO2 ZINC000119752529 734149179 /nfs/dbraw/zinc/14/91/79/734149179.db2.gz IHSODSFGCAMWPZ-UHFFFAOYSA-N 1 2 274.320 1.516 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCC2(C1)OCCO2 ZINC000119752529 734149184 /nfs/dbraw/zinc/14/91/84/734149184.db2.gz IHSODSFGCAMWPZ-UHFFFAOYSA-N 1 2 274.320 1.516 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cn(C)cn3)[C@@H]2C1 ZINC001075686543 734153737 /nfs/dbraw/zinc/15/37/37/734153737.db2.gz YLPRJJDNJOGZOD-WCQYABFASA-N 1 2 294.786 1.319 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C)cn3)[C@@H]2C1 ZINC001075686543 734153738 /nfs/dbraw/zinc/15/37/38/734153738.db2.gz YLPRJJDNJOGZOD-WCQYABFASA-N 1 2 294.786 1.319 20 30 CDEDLO C#CCOCCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000836632663 734166151 /nfs/dbraw/zinc/16/61/51/734166151.db2.gz ORUMMWHGHQFHRT-UHFFFAOYSA-N 1 2 261.325 1.778 20 30 CDEDLO CC1CCN(C(=O)CO[NH+]=C(N)Cc2cccnc2)CC1 ZINC000137637705 734168890 /nfs/dbraw/zinc/16/88/90/734168890.db2.gz OGIRPJPAAQVFBS-UHFFFAOYSA-N 1 2 290.367 1.171 20 30 CDEDLO Cc1noc(C[N@H+](C)C[C@@H](O)CC2(C#N)CCC2)n1 ZINC000886272195 734175468 /nfs/dbraw/zinc/17/54/68/734175468.db2.gz JRLGHKGAMXWIRZ-NSHDSACASA-N 1 2 264.329 1.255 20 30 CDEDLO Cc1noc(C[N@@H+](C)C[C@@H](O)CC2(C#N)CCC2)n1 ZINC000886272195 734175472 /nfs/dbraw/zinc/17/54/72/734175472.db2.gz JRLGHKGAMXWIRZ-NSHDSACASA-N 1 2 264.329 1.255 20 30 CDEDLO C#CCCOC(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000867703140 734186316 /nfs/dbraw/zinc/18/63/16/734186316.db2.gz HOCRUSWKTUACRI-UHFFFAOYSA-N 1 2 288.347 1.670 20 30 CDEDLO C[C@H](C#N)OCC[NH+]1CCN([C@H](C)c2nccs2)CC1 ZINC000801941600 734204095 /nfs/dbraw/zinc/20/40/95/734204095.db2.gz RLQCFTJQSHRWAE-CHWSQXEVSA-N 1 2 294.424 1.750 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ncccc2C(F)(F)F)C1 ZINC001031196987 734205889 /nfs/dbraw/zinc/20/58/89/734205889.db2.gz OPAUQOOTURFZLM-UHFFFAOYSA-N 1 2 297.280 1.538 20 30 CDEDLO C=CCC[N@@H+](C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000786102243 734215755 /nfs/dbraw/zinc/21/57/55/734215755.db2.gz UKQKIKBTQMDTJN-UHFFFAOYSA-N 1 2 289.291 1.656 20 30 CDEDLO C=CCC[N@H+](C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000786102243 734215761 /nfs/dbraw/zinc/21/57/61/734215761.db2.gz UKQKIKBTQMDTJN-UHFFFAOYSA-N 1 2 289.291 1.656 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cnon1 ZINC001049801717 734221502 /nfs/dbraw/zinc/22/15/02/734221502.db2.gz JEHHAXBKVITMCH-NWDGAFQWSA-N 1 2 296.758 1.501 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cnon1 ZINC001049801717 734221503 /nfs/dbraw/zinc/22/15/03/734221503.db2.gz JEHHAXBKVITMCH-NWDGAFQWSA-N 1 2 296.758 1.501 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC[C@@H](OC)C2)C1 ZINC001030555344 734239551 /nfs/dbraw/zinc/23/95/51/734239551.db2.gz LJWSGIGORVZHKJ-DGCLKSJQSA-N 1 2 252.358 1.178 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(C(C)C)c1C ZINC001038897888 734242922 /nfs/dbraw/zinc/24/29/22/734242922.db2.gz XIMYJWGHMTTXQX-CQSZACIVSA-N 1 2 288.395 1.600 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(C(C)C)c1C ZINC001038897888 734242927 /nfs/dbraw/zinc/24/29/27/734242927.db2.gz XIMYJWGHMTTXQX-CQSZACIVSA-N 1 2 288.395 1.600 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccn1CC=C ZINC001038353700 734247491 /nfs/dbraw/zinc/24/74/91/734247491.db2.gz OQZDQJCJQOAUHS-ZDUSSCGKSA-N 1 2 257.337 1.111 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccn1CC=C ZINC001038353700 734247493 /nfs/dbraw/zinc/24/74/93/734247493.db2.gz OQZDQJCJQOAUHS-ZDUSSCGKSA-N 1 2 257.337 1.111 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(=O)cc1C ZINC001017932028 734248149 /nfs/dbraw/zinc/24/81/49/734248149.db2.gz ASCBBVNLSJGKSR-BETUJISGSA-N 1 2 285.347 1.018 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(=O)cc1C ZINC001017932028 734248152 /nfs/dbraw/zinc/24/81/52/734248152.db2.gz ASCBBVNLSJGKSR-BETUJISGSA-N 1 2 285.347 1.018 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001027970352 734277282 /nfs/dbraw/zinc/27/72/82/734277282.db2.gz ARWOGUGWWUZRFU-HUUCEWRRSA-N 1 2 277.412 1.075 20 30 CDEDLO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001027970352 734277290 /nfs/dbraw/zinc/27/72/90/734277290.db2.gz ARWOGUGWWUZRFU-HUUCEWRRSA-N 1 2 277.412 1.075 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2scnc2Cl)C1 ZINC001034041247 734291226 /nfs/dbraw/zinc/29/12/26/734291226.db2.gz FTZRNHNHNLOSIJ-JTQLQIEISA-N 1 2 297.811 1.966 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2scnc2Cl)C1 ZINC001034041247 734291232 /nfs/dbraw/zinc/29/12/32/734291232.db2.gz FTZRNHNHNLOSIJ-JTQLQIEISA-N 1 2 297.811 1.966 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCc2cc(O)c(OC)cc2C1 ZINC000887103650 734291624 /nfs/dbraw/zinc/29/16/24/734291624.db2.gz GWFWRGSLDVGLGB-LLVKDONJSA-N 1 2 290.363 1.450 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCc2cc(O)c(OC)cc2C1 ZINC000887103650 734291629 /nfs/dbraw/zinc/29/16/29/734291629.db2.gz GWFWRGSLDVGLGB-LLVKDONJSA-N 1 2 290.363 1.450 20 30 CDEDLO C#CC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC000776609104 734292060 /nfs/dbraw/zinc/29/20/60/734292060.db2.gz JUIODXPSIWVDFW-NEPJUHHUSA-N 1 2 252.358 1.949 20 30 CDEDLO C#CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC000776609104 734292064 /nfs/dbraw/zinc/29/20/64/734292064.db2.gz JUIODXPSIWVDFW-NEPJUHHUSA-N 1 2 252.358 1.949 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C1CCOCC1 ZINC001032510907 734320464 /nfs/dbraw/zinc/32/04/64/734320464.db2.gz PIWPJYCPZSBMHV-GJZGRUSLSA-N 1 2 290.407 1.358 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C1CCOCC1 ZINC001032510907 734320466 /nfs/dbraw/zinc/32/04/66/734320466.db2.gz PIWPJYCPZSBMHV-GJZGRUSLSA-N 1 2 290.407 1.358 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CCC1 ZINC001032574966 734323358 /nfs/dbraw/zinc/32/33/58/734323358.db2.gz IMKSBHHJXPYSNQ-KBPBESRZSA-N 1 2 260.381 1.875 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CCC1 ZINC001032574966 734323360 /nfs/dbraw/zinc/32/33/60/734323360.db2.gz IMKSBHHJXPYSNQ-KBPBESRZSA-N 1 2 260.381 1.875 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2C[C@]23CCc2ccccc23)C1 ZINC001031178302 734324665 /nfs/dbraw/zinc/32/46/65/734324665.db2.gz PXYWLLBPXYACPG-MJGOQNOKSA-N 1 2 294.398 1.714 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2nc[nH]n2)CC[C@H]1C ZINC001071975599 734338522 /nfs/dbraw/zinc/33/85/22/734338522.db2.gz XOWOBMJRYRDFIS-GHMZBOCLSA-N 1 2 297.790 1.069 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2nc[nH]n2)CC[C@H]1C ZINC001071975599 734338525 /nfs/dbraw/zinc/33/85/25/734338525.db2.gz XOWOBMJRYRDFIS-GHMZBOCLSA-N 1 2 297.790 1.069 20 30 CDEDLO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncc(Cl)s1 ZINC001032519050 734348408 /nfs/dbraw/zinc/34/84/08/734348408.db2.gz MVHPCTHCQXPREW-UWVGGRQHSA-N 1 2 295.795 1.719 20 30 CDEDLO C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncc(Cl)s1 ZINC001032519050 734348411 /nfs/dbraw/zinc/34/84/11/734348411.db2.gz MVHPCTHCQXPREW-UWVGGRQHSA-N 1 2 295.795 1.719 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3c(c2)COC3)C1 ZINC001044042613 734356077 /nfs/dbraw/zinc/35/60/77/734356077.db2.gz GSEVCOIKFYLQTQ-UHFFFAOYSA-N 1 2 284.359 1.496 20 30 CDEDLO N#CCN1CCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001027969397 734366932 /nfs/dbraw/zinc/36/69/32/734366932.db2.gz KYIXZCAEGIZDSH-LBPRGKRZSA-N 1 2 283.335 1.281 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001039090530 734381509 /nfs/dbraw/zinc/38/15/09/734381509.db2.gz BYYYIDNFOWPCPK-CVEARBPZSA-N 1 2 298.386 1.512 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001039090530 734381511 /nfs/dbraw/zinc/38/15/11/734381511.db2.gz BYYYIDNFOWPCPK-CVEARBPZSA-N 1 2 298.386 1.512 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1C=CCC1)CO2 ZINC001053734714 734410096 /nfs/dbraw/zinc/41/00/96/734410096.db2.gz RHICKPZWQQWYBO-CABCVRRESA-N 1 2 290.407 1.878 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccon3)[C@@H]2C1 ZINC001049985910 734429191 /nfs/dbraw/zinc/42/91/91/734429191.db2.gz SMBQDKZJKDSILA-WCQYABFASA-N 1 2 295.770 1.964 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccon3)[C@@H]2C1 ZINC001049985910 734429200 /nfs/dbraw/zinc/42/92/00/734429200.db2.gz SMBQDKZJKDSILA-WCQYABFASA-N 1 2 295.770 1.964 20 30 CDEDLO NC(=[NH+]OCCO[C@H]1CCCCO1)c1ccccc1 ZINC000194710370 734441159 /nfs/dbraw/zinc/44/11/59/734441159.db2.gz GESOMLXGDPINQM-ZDUSSCGKSA-N 1 2 264.325 1.867 20 30 CDEDLO C=CCOc1ccc(C(=O)NCC2C[NH+](CCF)C2)cc1 ZINC001031778564 734445577 /nfs/dbraw/zinc/44/55/77/734445577.db2.gz PAISZVDPRHHSJM-UHFFFAOYSA-N 1 2 292.354 1.883 20 30 CDEDLO Cc1nc(N2C[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@]3(C)C2)cc[nH+]1 ZINC001052234653 734459520 /nfs/dbraw/zinc/45/95/20/734459520.db2.gz SLGFRBZQYUWNMB-GHJWDPDVSA-N 1 2 299.378 1.229 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn2c1ccc(C)c2C ZINC001038362506 734477361 /nfs/dbraw/zinc/47/73/61/734477361.db2.gz CCFMCRNNIIACDU-AWEZNQCLSA-N 1 2 296.374 1.388 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn2c1ccc(C)c2C ZINC001038362506 734477364 /nfs/dbraw/zinc/47/73/64/734477364.db2.gz CCFMCRNNIIACDU-AWEZNQCLSA-N 1 2 296.374 1.388 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1(C)CC(=C)C1)CO2 ZINC001053920048 734514091 /nfs/dbraw/zinc/51/40/91/734514091.db2.gz ZGOQWVNSVGQPST-AWEZNQCLSA-N 1 2 290.407 1.878 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2conc2C)CC1 ZINC001003537287 734543526 /nfs/dbraw/zinc/54/35/26/734543526.db2.gz SNQJSJKBUJRDID-UHFFFAOYSA-N 1 2 283.759 1.930 20 30 CDEDLO CC1(C)CC(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)CO1 ZINC000841633028 734565503 /nfs/dbraw/zinc/56/55/03/734565503.db2.gz MROJGJREPJTXJV-PHIMTYICSA-N 1 2 250.346 1.401 20 30 CDEDLO N#C[C@@H]1CCCN(CCOCC[N@@H+]2CCC[C@H](C#N)C2)C1 ZINC000932153308 734573047 /nfs/dbraw/zinc/57/30/47/734573047.db2.gz NRGBZBGJHHHNND-IYBDPMFKSA-N 1 2 290.411 1.474 20 30 CDEDLO N#C[C@@H]1CCCN(CCOCC[N@H+]2CCC[C@H](C#N)C2)C1 ZINC000932153308 734573054 /nfs/dbraw/zinc/57/30/54/734573054.db2.gz NRGBZBGJHHHNND-IYBDPMFKSA-N 1 2 290.411 1.474 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](CCOCCN2CCC[C@H](C#N)C2)C1 ZINC000932153308 734573061 /nfs/dbraw/zinc/57/30/61/734573061.db2.gz NRGBZBGJHHHNND-IYBDPMFKSA-N 1 2 290.411 1.474 20 30 CDEDLO N#C[C@@H]1CCC[N@H+](CCOCCN2CCC[C@H](C#N)C2)C1 ZINC000932153308 734573067 /nfs/dbraw/zinc/57/30/67/734573067.db2.gz NRGBZBGJHHHNND-IYBDPMFKSA-N 1 2 290.411 1.474 20 30 CDEDLO C#CC[N@@H+](CN1CCC1=O)[C@@H]1CCc2ccccc21 ZINC000857231296 734576221 /nfs/dbraw/zinc/57/62/21/734576221.db2.gz CTMSTXJKUCKKOJ-OAHLLOKOSA-N 1 2 254.333 1.799 20 30 CDEDLO C#CC[N@H+](CN1CCC1=O)[C@@H]1CCc2ccccc21 ZINC000857231296 734576227 /nfs/dbraw/zinc/57/62/27/734576227.db2.gz CTMSTXJKUCKKOJ-OAHLLOKOSA-N 1 2 254.333 1.799 20 30 CDEDLO C=C(C)CCC(=O)N1CC[NH+]([C@@H]2CCN(C(C)=O)C2)CC1 ZINC001065675479 734609617 /nfs/dbraw/zinc/60/96/17/734609617.db2.gz QYFLWMQPXFRBNE-OAHLLOKOSA-N 1 2 293.411 1.108 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010459189 734619430 /nfs/dbraw/zinc/61/94/30/734619430.db2.gz WWCWDEQBHVPKHV-LLVKDONJSA-N 1 2 278.743 1.443 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010459189 734619438 /nfs/dbraw/zinc/61/94/38/734619438.db2.gz WWCWDEQBHVPKHV-LLVKDONJSA-N 1 2 278.743 1.443 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccnc1 ZINC001017477494 734620951 /nfs/dbraw/zinc/62/09/51/734620951.db2.gz GVVIQYQTCJKZGO-IYBDPMFKSA-N 1 2 283.375 1.323 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccnc1 ZINC001017477494 734620956 /nfs/dbraw/zinc/62/09/56/734620956.db2.gz GVVIQYQTCJKZGO-IYBDPMFKSA-N 1 2 283.375 1.323 20 30 CDEDLO C=C[C@@H](C)ONC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000845636922 734634063 /nfs/dbraw/zinc/63/40/63/734634063.db2.gz SXZSBNYRHVGWSC-NEPJUHHUSA-N 1 2 264.329 1.736 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cncs1 ZINC001029244799 734684915 /nfs/dbraw/zinc/68/49/15/734684915.db2.gz MDTNBJXAQXWMFN-UTUOFQBUSA-N 1 2 290.392 1.478 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cncs1 ZINC001029244799 734684921 /nfs/dbraw/zinc/68/49/21/734684921.db2.gz MDTNBJXAQXWMFN-UTUOFQBUSA-N 1 2 290.392 1.478 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1c(C)cnn1C ZINC001028081078 734734928 /nfs/dbraw/zinc/73/49/28/734734928.db2.gz LQOHQOIGJRSHCM-LBPRGKRZSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)cnn1C ZINC001028081078 734734933 /nfs/dbraw/zinc/73/49/33/734734933.db2.gz LQOHQOIGJRSHCM-LBPRGKRZSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Br)CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000840253173 734805024 /nfs/dbraw/zinc/80/50/24/734805024.db2.gz ZFUNHBLVTLCIKE-QMMMGPOBSA-N 1 2 287.161 1.590 20 30 CDEDLO C=C(Br)CNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000840253173 734805027 /nfs/dbraw/zinc/80/50/27/734805027.db2.gz ZFUNHBLVTLCIKE-QMMMGPOBSA-N 1 2 287.161 1.590 20 30 CDEDLO C#CCSCC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000889666210 734828778 /nfs/dbraw/zinc/82/87/78/734828778.db2.gz IIZFMBLVGFAECV-UHFFFAOYSA-N 1 2 263.366 1.761 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cccc(F)n2)C1=O ZINC000852007721 734834908 /nfs/dbraw/zinc/83/49/08/734834908.db2.gz QZSVDWXCDHJYNR-GFCCVEGCSA-N 1 2 263.316 1.439 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cccc(F)n2)C1=O ZINC000852007721 734834912 /nfs/dbraw/zinc/83/49/12/734834912.db2.gz QZSVDWXCDHJYNR-GFCCVEGCSA-N 1 2 263.316 1.439 20 30 CDEDLO CC(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001038002153 734854203 /nfs/dbraw/zinc/85/42/03/734854203.db2.gz IQYPGSXGFNZNLA-OAHLLOKOSA-N 1 2 260.312 1.388 20 30 CDEDLO CC(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001038002153 734854205 /nfs/dbraw/zinc/85/42/05/734854205.db2.gz IQYPGSXGFNZNLA-OAHLLOKOSA-N 1 2 260.312 1.388 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2c(C)noc2C)C1 ZINC001044284318 734861840 /nfs/dbraw/zinc/86/18/40/734861840.db2.gz KRPSYNXAFHSOCZ-UHFFFAOYSA-N 1 2 263.341 1.163 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)C1CCC1)CO2 ZINC001053844320 734874099 /nfs/dbraw/zinc/87/40/99/734874099.db2.gz GNMHSPIRAQIFKX-UKRRQHHQSA-N 1 2 292.423 1.958 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2snnc2C2CC2)C1 ZINC001014818795 734878246 /nfs/dbraw/zinc/87/82/46/734878246.db2.gz ZVTQEHBDKBVQIK-JTQLQIEISA-N 1 2 278.381 1.406 20 30 CDEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2snnc2C2CC2)C1 ZINC001014818795 734878248 /nfs/dbraw/zinc/87/82/48/734878248.db2.gz ZVTQEHBDKBVQIK-JTQLQIEISA-N 1 2 278.381 1.406 20 30 CDEDLO Cn1cc(C#N)c(NC(=O)c2cccc3[nH+]ccn32)n1 ZINC000776975212 734919427 /nfs/dbraw/zinc/91/94/27/734919427.db2.gz SOMWVYNCIACIEU-UHFFFAOYSA-N 1 2 266.264 1.192 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H](C)c2ccco2)C1 ZINC001043847129 734935206 /nfs/dbraw/zinc/93/52/06/734935206.db2.gz ILMKUSNQDJOBMN-GFCCVEGCSA-N 1 2 260.337 1.549 20 30 CDEDLO C=C(Br)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC000171471657 734962027 /nfs/dbraw/zinc/96/20/27/734962027.db2.gz PEDHFWYZNMIDKR-SNVBAGLBSA-N 1 2 275.190 1.886 20 30 CDEDLO C=C(Br)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000171471657 734962032 /nfs/dbraw/zinc/96/20/32/734962032.db2.gz PEDHFWYZNMIDKR-SNVBAGLBSA-N 1 2 275.190 1.886 20 30 CDEDLO Nc1ccc(CN=Nc2nc(-c3ccncc3)no2)c[nH+]1 ZINC000807968325 735010112 /nfs/dbraw/zinc/01/01/12/735010112.db2.gz UCDRUGQSEAVSQX-UHFFFAOYSA-N 1 2 281.279 1.555 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000890656300 735017728 /nfs/dbraw/zinc/01/77/28/735017728.db2.gz VZLIOKMNCWGSMR-CQSZACIVSA-N 1 2 271.364 1.776 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCO1 ZINC001017481766 735021474 /nfs/dbraw/zinc/02/14/74/735021474.db2.gz GEENFOWWKJBCBU-QLFBSQMISA-N 1 2 276.380 1.254 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCO1 ZINC001017481766 735021475 /nfs/dbraw/zinc/02/14/75/735021475.db2.gz GEENFOWWKJBCBU-QLFBSQMISA-N 1 2 276.380 1.254 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnoc1C1CC1 ZINC001038876761 735058392 /nfs/dbraw/zinc/05/83/92/735058392.db2.gz NLKKHGHPAGAKML-LLVKDONJSA-N 1 2 261.325 1.542 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cnoc1C1CC1 ZINC001038876761 735058396 /nfs/dbraw/zinc/05/83/96/735058396.db2.gz NLKKHGHPAGAKML-LLVKDONJSA-N 1 2 261.325 1.542 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2C[C@@H]2OCC)C1 ZINC001042504741 735107051 /nfs/dbraw/zinc/10/70/51/735107051.db2.gz NVZPJQSMSRBGMF-STQMWFEESA-N 1 2 252.358 1.130 20 30 CDEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)C(C)C)C2)CC1 ZINC001051983716 735116968 /nfs/dbraw/zinc/11/69/68/735116968.db2.gz UGNFWWBYIDLAGM-CQSZACIVSA-N 1 2 299.846 1.613 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2oncc2C)CC1 ZINC001003889885 735145959 /nfs/dbraw/zinc/14/59/59/735145959.db2.gz QYUGBYZLTOYMBZ-UHFFFAOYSA-N 1 2 283.759 1.930 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(OCC)c1 ZINC001032663660 735172702 /nfs/dbraw/zinc/17/27/02/735172702.db2.gz WMDXNQNTCQHGIA-HOTGVXAUSA-N 1 2 298.386 1.926 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(OCC)c1 ZINC001032663660 735172706 /nfs/dbraw/zinc/17/27/06/735172706.db2.gz WMDXNQNTCQHGIA-HOTGVXAUSA-N 1 2 298.386 1.926 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)n2cncn2)C1 ZINC001007155643 735173279 /nfs/dbraw/zinc/17/32/79/735173279.db2.gz KHFSRWXWZCWVPR-NWDGAFQWSA-N 1 2 297.790 1.172 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)n2cncn2)C1 ZINC001007155643 735173280 /nfs/dbraw/zinc/17/32/80/735173280.db2.gz KHFSRWXWZCWVPR-NWDGAFQWSA-N 1 2 297.790 1.172 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)c(OC)c1 ZINC001038486337 735177926 /nfs/dbraw/zinc/17/79/26/735177926.db2.gz UUDREDOFMGCREO-AWEZNQCLSA-N 1 2 272.348 1.441 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)c(OC)c1 ZINC001038486337 735177928 /nfs/dbraw/zinc/17/79/28/735177928.db2.gz UUDREDOFMGCREO-AWEZNQCLSA-N 1 2 272.348 1.441 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC12CCOCC2 ZINC001018354116 735178219 /nfs/dbraw/zinc/17/82/19/735178219.db2.gz QFUMGSIPKYKFFZ-ZNMIVQPWSA-N 1 2 288.391 1.112 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC12CCOCC2 ZINC001018354116 735178220 /nfs/dbraw/zinc/17/82/20/735178220.db2.gz QFUMGSIPKYKFFZ-ZNMIVQPWSA-N 1 2 288.391 1.112 20 30 CDEDLO C=CCCn1cc(C[NH2+]CC(=O)NCc2ccccc2)nn1 ZINC000850030408 735181024 /nfs/dbraw/zinc/18/10/24/735181024.db2.gz KJDLXMGBBNYDKL-UHFFFAOYSA-N 1 2 299.378 1.260 20 30 CDEDLO C#Cc1ccc(NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)c(Cl)c1 ZINC000885670196 735184203 /nfs/dbraw/zinc/18/42/03/735184203.db2.gz WAFXNZXQWNIPCT-ABAIWWIYSA-N 1 2 292.766 1.715 20 30 CDEDLO C#Cc1ccc(NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)c(Cl)c1 ZINC000885670196 735184204 /nfs/dbraw/zinc/18/42/04/735184204.db2.gz WAFXNZXQWNIPCT-ABAIWWIYSA-N 1 2 292.766 1.715 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCO[C@@H]2C(C)C)C1 ZINC001030418103 735185043 /nfs/dbraw/zinc/18/50/43/735185043.db2.gz FHAWWCCHEBYFMU-UONOGXRCSA-N 1 2 266.385 1.424 20 30 CDEDLO C=C(C)C[C@@H](CO)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000883006080 735186192 /nfs/dbraw/zinc/18/61/92/735186192.db2.gz ILDYQQCEXOBDRQ-MNOVXSKESA-N 1 2 266.345 1.008 20 30 CDEDLO C=C(C)C[C@@H](CO)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000883006080 735186193 /nfs/dbraw/zinc/18/61/93/735186193.db2.gz ILDYQQCEXOBDRQ-MNOVXSKESA-N 1 2 266.345 1.008 20 30 CDEDLO C[C@H]1OCC[C@@H]1CO[NH+]=C(N)c1ccc(F)cc1 ZINC000871723133 735188501 /nfs/dbraw/zinc/18/85/01/735188501.db2.gz VBOIDFMGTBGQFB-MWLCHTKSSA-N 1 2 252.289 1.888 20 30 CDEDLO Cc1[nH+]cc(C=NN2C(=S)N=NC2C(C)(C)C)n1C ZINC000853268291 735192773 /nfs/dbraw/zinc/19/27/73/735192773.db2.gz YDRRXXZLIARYLK-UHFFFAOYSA-N 1 2 278.385 1.788 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2oc(CC)cc2C)C1 ZINC001035582269 735225348 /nfs/dbraw/zinc/22/53/48/735225348.db2.gz YRTBPWRNVCGRSD-CQSZACIVSA-N 1 2 292.379 1.767 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2oc(CC)cc2C)C1 ZINC001035582269 735225358 /nfs/dbraw/zinc/22/53/58/735225358.db2.gz YRTBPWRNVCGRSD-CQSZACIVSA-N 1 2 292.379 1.767 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CCC(C)C)C1 ZINC000885511227 735573292 /nfs/dbraw/zinc/57/32/92/735573292.db2.gz CYPHZVLDEMOUOK-ZDUSSCGKSA-N 1 2 272.414 1.050 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CCC(C)C)C1 ZINC000885511227 735573299 /nfs/dbraw/zinc/57/32/99/735573299.db2.gz CYPHZVLDEMOUOK-ZDUSSCGKSA-N 1 2 272.414 1.050 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1n[nH]cc1F ZINC001028119392 735577525 /nfs/dbraw/zinc/57/75/25/735577525.db2.gz FUQGODLHLNVEMK-SECBINFHSA-N 1 2 286.738 1.496 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1n[nH]cc1F ZINC001028119392 735577539 /nfs/dbraw/zinc/57/75/39/735577539.db2.gz FUQGODLHLNVEMK-SECBINFHSA-N 1 2 286.738 1.496 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NCc1cn(C)nn1 ZINC000853474506 735578814 /nfs/dbraw/zinc/57/88/14/735578814.db2.gz VIIREQGXHIWIMA-UHFFFAOYSA-N 1 2 271.324 1.614 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CC(=O)OCc2ccccc2)nn1 ZINC000881195777 735609384 /nfs/dbraw/zinc/60/93/84/735609384.db2.gz JUSWCLOIVJJFMP-UHFFFAOYSA-N 1 2 298.346 1.134 20 30 CDEDLO COCCN(C)[NH+]=C(C)c1cc(F)c(N)c(F)c1 ZINC000814925980 735616741 /nfs/dbraw/zinc/61/67/41/735616741.db2.gz FWYWQBOWYDUVFU-UHFFFAOYSA-N 1 2 257.284 1.849 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn(C(C)C)c2)C1 ZINC001044173655 735729252 /nfs/dbraw/zinc/72/92/52/735729252.db2.gz LZRCFORDHHZLPZ-UHFFFAOYSA-N 1 2 276.384 1.796 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cncc(CC)c2)C1 ZINC001030680304 735805914 /nfs/dbraw/zinc/80/59/14/735805914.db2.gz HAJVMSQGUNKSCP-UHFFFAOYSA-N 1 2 259.353 1.634 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@@H](C(C)=O)C2(C)C)C1 ZINC000923564790 735828487 /nfs/dbraw/zinc/82/84/87/735828487.db2.gz VNQXAPDSEJJRPT-QLFBSQMISA-N 1 2 290.407 1.452 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@@H](C(C)=O)C2(C)C)C1 ZINC000923564790 735828489 /nfs/dbraw/zinc/82/84/89/735828489.db2.gz VNQXAPDSEJJRPT-QLFBSQMISA-N 1 2 290.407 1.452 20 30 CDEDLO C#CCCCCC(=O)O[C@H](COC)C[N@@H+]1CCO[C@H](C)C1 ZINC000842972843 736010743 /nfs/dbraw/zinc/01/07/43/736010743.db2.gz IFBLQSDLWBARLB-CABCVRRESA-N 1 2 297.395 1.459 20 30 CDEDLO C#CCCCCC(=O)O[C@H](COC)C[N@H+]1CCO[C@H](C)C1 ZINC000842972843 736010749 /nfs/dbraw/zinc/01/07/49/736010749.db2.gz IFBLQSDLWBARLB-CABCVRRESA-N 1 2 297.395 1.459 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2ncccc2o1 ZINC001038527523 736081120 /nfs/dbraw/zinc/08/11/20/736081120.db2.gz YLMAVTNHTBKMFL-LBPRGKRZSA-N 1 2 283.331 1.655 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2ncccc2o1 ZINC001038527523 736081127 /nfs/dbraw/zinc/08/11/27/736081127.db2.gz YLMAVTNHTBKMFL-LBPRGKRZSA-N 1 2 283.331 1.655 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2ncccc2OC)C1 ZINC001043653285 736081536 /nfs/dbraw/zinc/08/15/36/736081536.db2.gz CSEOIPDSJBJFLA-UHFFFAOYSA-N 1 2 289.379 1.351 20 30 CDEDLO C=CCCOCc1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1 ZINC000823393788 736163517 /nfs/dbraw/zinc/16/35/17/736163517.db2.gz NMMXZTTURJXTLF-JTQLQIEISA-N 1 2 297.355 1.894 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(CC)ccn2)C1 ZINC001042765854 736171891 /nfs/dbraw/zinc/17/18/91/736171891.db2.gz HLNUJBDZFTXEIK-UHFFFAOYSA-N 1 2 271.364 1.424 20 30 CDEDLO CC1(C#N)CC[NH+](CN2C[C@@H]3CCCCN3C2=O)CC1 ZINC000872597153 736194789 /nfs/dbraw/zinc/19/47/89/736194789.db2.gz SOPWUTAOZQGWCF-ZDUSSCGKSA-N 1 2 276.384 1.860 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1Cc2cccnc2C1 ZINC001032754939 736231356 /nfs/dbraw/zinc/23/13/56/736231356.db2.gz WELZYMRUTDZFOC-JYJNAYRXSA-N 1 2 295.386 1.105 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1Cc2cccnc2C1 ZINC001032754939 736231361 /nfs/dbraw/zinc/23/13/61/736231361.db2.gz WELZYMRUTDZFOC-JYJNAYRXSA-N 1 2 295.386 1.105 20 30 CDEDLO CN1CCC2(C[NH+](Cc3cc(F)c(C#N)c(F)c3)C2)C1=O ZINC001140755789 1167056056 /nfs/dbraw/zinc/05/60/56/1167056056.db2.gz SMKGTGRHERXTIQ-UHFFFAOYSA-N 1 2 291.301 1.501 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCOC1)C2 ZINC001095220083 912621742 /nfs/dbraw/zinc/62/17/42/912621742.db2.gz YFEVROBWKXKSES-RNJOBUHISA-N 1 2 284.787 1.497 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCOC1)C2 ZINC001095220083 912621748 /nfs/dbraw/zinc/62/17/48/912621748.db2.gz YFEVROBWKXKSES-RNJOBUHISA-N 1 2 284.787 1.497 20 30 CDEDLO CC[C@H](CC#N)NC(=O)c1cc2n(n1)CCC[N@H+](C)C2 ZINC001175105205 913448736 /nfs/dbraw/zinc/44/87/36/913448736.db2.gz WUOABHSINUWMSN-LLVKDONJSA-N 1 2 275.356 1.141 20 30 CDEDLO CC[C@H](CC#N)NC(=O)c1cc2n(n1)CCC[N@@H+](C)C2 ZINC001175105205 913448745 /nfs/dbraw/zinc/44/87/45/913448745.db2.gz WUOABHSINUWMSN-LLVKDONJSA-N 1 2 275.356 1.141 20 30 CDEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1cccnn1)CC2 ZINC001139969823 894295866 /nfs/dbraw/zinc/29/58/66/894295866.db2.gz FZCJLNJBSBTXJL-UHFFFAOYSA-N 1 2 250.305 1.907 20 30 CDEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1cccnn1)CC2 ZINC001139969823 894295879 /nfs/dbraw/zinc/29/58/79/894295879.db2.gz FZCJLNJBSBTXJL-UHFFFAOYSA-N 1 2 250.305 1.907 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)Nc3n[nH]c(C)c3C#N)ccn12 ZINC001167084620 894326195 /nfs/dbraw/zinc/32/61/95/894326195.db2.gz FMTSCLBOXTZIOS-UHFFFAOYSA-N 1 2 280.291 1.798 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C1(C)CCOCC1 ZINC001481006578 898467176 /nfs/dbraw/zinc/46/71/76/898467176.db2.gz WFLFWCRWDXUJDG-UHFFFAOYSA-N 1 2 288.819 1.994 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C1(C)CCOCC1 ZINC001481006578 898467185 /nfs/dbraw/zinc/46/71/85/898467185.db2.gz WFLFWCRWDXUJDG-UHFFFAOYSA-N 1 2 288.819 1.994 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1nccc1C ZINC001481060756 898708717 /nfs/dbraw/zinc/70/87/17/898708717.db2.gz XBHKSRNUMWMEFT-CYBMUJFWSA-N 1 2 296.802 1.525 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1nccc1C ZINC001481060756 898708727 /nfs/dbraw/zinc/70/87/27/898708727.db2.gz XBHKSRNUMWMEFT-CYBMUJFWSA-N 1 2 296.802 1.525 20 30 CDEDLO C#CCOCCC(=O)N(C)[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001104677844 898875353 /nfs/dbraw/zinc/87/53/53/898875353.db2.gz NUGHNJOUMFSTKS-GFCCVEGCSA-N 1 2 290.367 1.084 20 30 CDEDLO C=CCOCC(=O)N(C)CCCN(C)c1cc[nH+]c(C)n1 ZINC001112052488 899531392 /nfs/dbraw/zinc/53/13/92/899531392.db2.gz PVDCBLSGRKLMHG-UHFFFAOYSA-N 1 2 292.383 1.272 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCCC)C[C@@H]21 ZINC001176917017 914393599 /nfs/dbraw/zinc/39/35/99/914393599.db2.gz BDTDAXSCGITYRO-GJZGRUSLSA-N 1 2 278.396 1.502 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCCC)C[C@@H]21 ZINC001176917017 914393610 /nfs/dbraw/zinc/39/36/10/914393610.db2.gz BDTDAXSCGITYRO-GJZGRUSLSA-N 1 2 278.396 1.502 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cn2nc(C)cc2C(F)F)CC1 ZINC001177001670 914426909 /nfs/dbraw/zinc/42/69/09/914426909.db2.gz WBKHYNBNFXHDLN-UHFFFAOYSA-N 1 2 298.337 1.459 20 30 CDEDLO C#CCCCC(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001126333213 901563751 /nfs/dbraw/zinc/56/37/51/901563751.db2.gz KYYQWJBUDHHVKV-UHFFFAOYSA-N 1 2 263.341 1.301 20 30 CDEDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H](C#N)Cc1cccs1 ZINC001270387778 904590466 /nfs/dbraw/zinc/59/04/66/904590466.db2.gz BTJFKFCFUJDLTH-UTUOFQBUSA-N 1 2 275.377 1.345 20 30 CDEDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H](C#N)Cc1cccs1 ZINC001270387778 904590475 /nfs/dbraw/zinc/59/04/75/904590475.db2.gz BTJFKFCFUJDLTH-UTUOFQBUSA-N 1 2 275.377 1.345 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001128408690 921296594 /nfs/dbraw/zinc/29/65/94/921296594.db2.gz APUSICHJLJMCFU-JTQLQIEISA-N 1 2 268.386 1.661 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCO2)[C@H]1C ZINC001088458889 907333223 /nfs/dbraw/zinc/33/32/23/907333223.db2.gz SDXMWQMDRKKKKG-WOPDTQHZSA-N 1 2 272.776 1.497 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCO2)[C@H]1C ZINC001088458889 907333238 /nfs/dbraw/zinc/33/32/38/907333238.db2.gz SDXMWQMDRKKKKG-WOPDTQHZSA-N 1 2 272.776 1.497 20 30 CDEDLO Cc1nc(NC2CC(N(C)C(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001126876127 909482759 /nfs/dbraw/zinc/48/27/59/909482759.db2.gz CTLYYRWEIMALCS-OIKLOGQESA-N 1 2 273.340 1.346 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001093161355 909673551 /nfs/dbraw/zinc/67/35/51/909673551.db2.gz WDQGOEUHLSWWOE-LBPRGKRZSA-N 1 2 290.367 1.025 20 30 CDEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)C1 ZINC001093502888 909920577 /nfs/dbraw/zinc/92/05/77/909920577.db2.gz NGKPMOVDIPKIPF-XJKSGUPXSA-N 1 2 292.423 1.910 20 30 CDEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2Cl)C1 ZINC001077040536 910162166 /nfs/dbraw/zinc/16/21/66/910162166.db2.gz ZNDSPKRWTRDKOT-NXEZZACHSA-N 1 2 286.784 1.362 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2Cl)C1 ZINC001077040536 910162176 /nfs/dbraw/zinc/16/21/76/910162176.db2.gz ZNDSPKRWTRDKOT-NXEZZACHSA-N 1 2 286.784 1.362 20 30 CDEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3ccccc3)nn2)C1 ZINC001094270204 910423412 /nfs/dbraw/zinc/42/34/12/910423412.db2.gz MEUOEYXZQLZQJY-UHFFFAOYSA-N 1 2 297.362 1.251 20 30 CDEDLO C=CCOCCCC(=O)NCCCNc1cc[nH+]c(C)n1 ZINC001094349769 910532171 /nfs/dbraw/zinc/53/21/71/910532171.db2.gz CKFPHMMPWAZWDW-UHFFFAOYSA-N 1 2 292.383 1.686 20 30 CDEDLO C[C@H](CCCCNCC#N)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171524865 910812055 /nfs/dbraw/zinc/81/20/55/910812055.db2.gz ATHHGLMOROMHDE-GFCCVEGCSA-N 1 2 299.378 1.965 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2occc2C)[C@@H](O)C1 ZINC001090078723 921643404 /nfs/dbraw/zinc/64/34/04/921643404.db2.gz MFKQBPWDNKKJPS-NEPJUHHUSA-N 1 2 298.770 1.506 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2occc2C)[C@@H](O)C1 ZINC001090078723 921643418 /nfs/dbraw/zinc/64/34/18/921643418.db2.gz MFKQBPWDNKKJPS-NEPJUHHUSA-N 1 2 298.770 1.506 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC001189910997 921714611 /nfs/dbraw/zinc/71/46/11/921714611.db2.gz WEFPARJTHCPNEN-HNNXBMFYSA-N 1 2 288.395 1.256 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C)n2)C1 ZINC001189910997 921714622 /nfs/dbraw/zinc/71/46/22/921714622.db2.gz WEFPARJTHCPNEN-HNNXBMFYSA-N 1 2 288.395 1.256 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1C1CCC2(CCOCC2)CC1 ZINC001173047185 912139533 /nfs/dbraw/zinc/13/95/33/912139533.db2.gz UELQOJNAYIYUSK-CQSZACIVSA-N 1 2 263.385 1.523 20 30 CDEDLO C=C[C@@H]1C[C@@]1(NC(=O)[C@@H](C)n1cc[nH+]c1)C(=O)OCC ZINC001177929857 915059759 /nfs/dbraw/zinc/05/97/59/915059759.db2.gz UHMHPWOLAYKIQN-GYSYKLTISA-N 1 2 277.324 1.068 20 30 CDEDLO C=CC[C@@](C)(NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(=O)OC ZINC001178122531 915228095 /nfs/dbraw/zinc/22/80/95/915228095.db2.gz WHSRSUGJCKHWDO-IAQYHMDHSA-N 1 2 291.351 1.070 20 30 CDEDLO CC(C)C[C@](C)(C#N)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178121407 915228934 /nfs/dbraw/zinc/22/89/34/915228934.db2.gz HEGRZTUQEPWEKE-SWLSCSKDSA-N 1 2 274.368 1.890 20 30 CDEDLO CC(C)C#CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccon2)C1 ZINC001190046173 921808524 /nfs/dbraw/zinc/80/85/24/921808524.db2.gz GPKPDJZMTZFITJ-CQSZACIVSA-N 1 2 275.352 1.367 20 30 CDEDLO CC(C)C#CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccon2)C1 ZINC001190046173 921808535 /nfs/dbraw/zinc/80/85/35/921808535.db2.gz GPKPDJZMTZFITJ-CQSZACIVSA-N 1 2 275.352 1.367 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)CC(C)C)C1 ZINC001149103532 936353965 /nfs/dbraw/zinc/35/39/65/936353965.db2.gz GASZTEGZMIDSIK-CYBMUJFWSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)CC(C)C)C1 ZINC001149103532 936353966 /nfs/dbraw/zinc/35/39/66/936353966.db2.gz GASZTEGZMIDSIK-CYBMUJFWSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnn2cc[nH]c12 ZINC001485377780 916915647 /nfs/dbraw/zinc/91/56/47/916915647.db2.gz MOBVILIITJNNQK-JTQLQIEISA-N 1 2 295.774 1.465 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnn2cc[nH]c12 ZINC001485377780 916915654 /nfs/dbraw/zinc/91/56/54/916915654.db2.gz MOBVILIITJNNQK-JTQLQIEISA-N 1 2 295.774 1.465 20 30 CDEDLO N#Cc1ccc(NC(=O)Cc2cc[nH+]c(N)c2)c(O)c1 ZINC001181263512 916949192 /nfs/dbraw/zinc/94/91/92/916949192.db2.gz ONQHWAGTQXCICF-UHFFFAOYSA-N 1 2 268.276 1.422 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c(C#N)c1 ZINC001137697918 936391454 /nfs/dbraw/zinc/39/14/54/936391454.db2.gz BIAJQKJBOBVJNU-KBPBESRZSA-N 1 2 264.300 1.472 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@H](F)[C@@H](O)C2)c(C#N)c1 ZINC001137697918 936391458 /nfs/dbraw/zinc/39/14/58/936391458.db2.gz BIAJQKJBOBVJNU-KBPBESRZSA-N 1 2 264.300 1.472 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nnc(CC)o2)C1 ZINC001181534729 917131957 /nfs/dbraw/zinc/13/19/57/917131957.db2.gz BUTUKDABDPIPRF-NWDGAFQWSA-N 1 2 292.383 1.850 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CC1CCC1)CCO2 ZINC001053203573 936410140 /nfs/dbraw/zinc/41/01/40/936410140.db2.gz JMMNNIUOATWVBD-UHFFFAOYSA-N 1 2 278.396 1.666 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001124488483 917397682 /nfs/dbraw/zinc/39/76/82/917397682.db2.gz PCMVETSMOVWIQY-CHWSQXEVSA-N 1 2 295.383 1.731 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(F)c(F)cc2F)CC1 ZINC001137892519 936428786 /nfs/dbraw/zinc/42/87/86/936428786.db2.gz WEAYSPMHALVOMK-UHFFFAOYSA-N 1 2 268.282 1.855 20 30 CDEDLO C[C@H](C#N)C(=O)NCC[NH2+][C@H](C)c1ncc(C(C)(C)C)o1 ZINC001124901839 917750943 /nfs/dbraw/zinc/75/09/43/917750943.db2.gz DGPWUKROHVUEPX-GHMZBOCLSA-N 1 2 292.383 1.899 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)cc2C)C1 ZINC001077614712 918438858 /nfs/dbraw/zinc/43/88/58/918438858.db2.gz SFSUOJDSMQZLAZ-ZIAGYGMSSA-N 1 2 292.766 1.057 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)cc2C)C1 ZINC001077614712 918438866 /nfs/dbraw/zinc/43/88/66/918438866.db2.gz SFSUOJDSMQZLAZ-ZIAGYGMSSA-N 1 2 292.766 1.057 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2C=CCC2)C1 ZINC001107725307 918693474 /nfs/dbraw/zinc/69/34/74/918693474.db2.gz BAPDYIVCCJKZDJ-HOCLYGCPSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2C=CCC2)C1 ZINC001107725307 918693483 /nfs/dbraw/zinc/69/34/83/918693483.db2.gz BAPDYIVCCJKZDJ-HOCLYGCPSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC2CCOCC2)C1 ZINC001107830242 918847602 /nfs/dbraw/zinc/84/76/02/918847602.db2.gz IIMSNRLBNRRBJX-INIZCTEOSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CC2CCOCC2)C1 ZINC001107830242 918847612 /nfs/dbraw/zinc/84/76/12/918847612.db2.gz IIMSNRLBNRRBJX-INIZCTEOSA-N 1 2 296.411 1.196 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(OC)c(OC)cc2C)CC1 ZINC001138439304 936536055 /nfs/dbraw/zinc/53/60/55/936536055.db2.gz CQWMKBOZIPDKRE-UHFFFAOYSA-N 1 2 288.391 1.763 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)C2CC2)C1 ZINC001107845895 918877182 /nfs/dbraw/zinc/87/71/82/918877182.db2.gz MJAHWKSDZQQQMB-IUODEOHRSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)C2CC2)C1 ZINC001107845895 918877194 /nfs/dbraw/zinc/87/71/94/918877194.db2.gz MJAHWKSDZQQQMB-IUODEOHRSA-N 1 2 266.385 1.426 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001139093481 936595101 /nfs/dbraw/zinc/59/51/01/936595101.db2.gz WYORKYPPWZJGPA-LBPRGKRZSA-N 1 2 268.324 1.602 20 30 CDEDLO C#CCN1C(=O)COCC12C[NH+](Cc1cc(C)cs1)C2 ZINC001272872294 919930808 /nfs/dbraw/zinc/93/08/08/919930808.db2.gz KQQZXWWBZKXHGY-UHFFFAOYSA-N 1 2 290.388 1.103 20 30 CDEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2C2CC2)C1 ZINC001078129078 920124224 /nfs/dbraw/zinc/12/42/24/920124224.db2.gz OYVVNPKZXQDUSL-CHWSQXEVSA-N 1 2 292.404 1.586 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2C2CC2)C1 ZINC001078129078 920124234 /nfs/dbraw/zinc/12/42/34/920124234.db2.gz OYVVNPKZXQDUSL-CHWSQXEVSA-N 1 2 292.404 1.586 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)cc(C)cc2C)C1 ZINC001078137000 920133498 /nfs/dbraw/zinc/13/34/98/920133498.db2.gz BTRVGSZVBDLYJA-HUUCEWRRSA-N 1 2 286.375 1.020 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)cc(C)cc2C)C1 ZINC001078137000 920133507 /nfs/dbraw/zinc/13/35/07/920133507.db2.gz BTRVGSZVBDLYJA-HUUCEWRRSA-N 1 2 286.375 1.020 20 30 CDEDLO COCC#CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001187121720 920371555 /nfs/dbraw/zinc/37/15/55/920371555.db2.gz HAFIBDIICZYDQH-WEVVVXLNSA-N 1 2 298.386 1.494 20 30 CDEDLO C[C@H](CNc1ccc(C#N)cn1)NC(=O)CCn1cc[nH+]c1 ZINC001108036032 920375475 /nfs/dbraw/zinc/37/54/75/920375475.db2.gz 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922029389 /nfs/dbraw/zinc/02/93/89/922029389.db2.gz ILZLRRJUOBOSMA-HNNXBMFYSA-N 1 2 296.386 1.357 20 30 CDEDLO C#Cc1ccccc1C(=O)N1CC[NH+](CCOC)CC1 ZINC001191108322 922395754 /nfs/dbraw/zinc/39/57/54/922395754.db2.gz NVZABMOUTUAWFV-UHFFFAOYSA-N 1 2 272.348 1.072 20 30 CDEDLO CC(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140813024 936760201 /nfs/dbraw/zinc/76/02/01/936760201.db2.gz SUXAAFGAFDTYOC-ZDUSSCGKSA-N 1 2 277.755 1.922 20 30 CDEDLO CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140813024 936760203 /nfs/dbraw/zinc/76/02/03/936760203.db2.gz SUXAAFGAFDTYOC-ZDUSSCGKSA-N 1 2 277.755 1.922 20 30 CDEDLO CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(F)cc1C#N ZINC001141165284 936823738 /nfs/dbraw/zinc/82/37/38/936823738.db2.gz XVLAQBYVNXUJSD-HUUCEWRRSA-N 1 2 287.338 1.892 20 30 CDEDLO CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(F)cc1C#N ZINC001141165284 936823739 /nfs/dbraw/zinc/82/37/39/936823739.db2.gz XVLAQBYVNXUJSD-HUUCEWRRSA-N 1 2 287.338 1.892 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C)CC2)[C@H](O)C1 ZINC001090286731 923921145 /nfs/dbraw/zinc/92/11/45/923921145.db2.gz QAWVHVFPEKQQCH-WDEREUQCSA-N 1 2 272.776 1.090 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C)CC2)[C@H](O)C1 ZINC001090286731 923921154 /nfs/dbraw/zinc/92/11/54/923921154.db2.gz QAWVHVFPEKQQCH-WDEREUQCSA-N 1 2 272.776 1.090 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001079443178 924320406 /nfs/dbraw/zinc/32/04/06/924320406.db2.gz UADBAMQKDJWDED-LDYMZIIASA-N 1 2 268.748 1.212 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001079443178 924320411 /nfs/dbraw/zinc/32/04/11/924320411.db2.gz UADBAMQKDJWDED-LDYMZIIASA-N 1 2 268.748 1.212 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)nn2C)C1 ZINC001079464022 924324793 /nfs/dbraw/zinc/32/47/93/924324793.db2.gz UIRSAMWVXPLZEK-BXKDBHETSA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)nn2C)C1 ZINC001079464022 924324800 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C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(C)C)no1 ZINC001085853903 926456822 /nfs/dbraw/zinc/45/68/22/926456822.db2.gz KMJPLCRUJCSSCN-LBPRGKRZSA-N 1 2 275.352 1.578 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1oc(C(C)C)nc1C ZINC001085865316 926465580 /nfs/dbraw/zinc/46/55/80/926465580.db2.gz ZVWXYAXYTGZCEB-CYBMUJFWSA-N 1 2 289.379 1.886 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1oc(C(C)C)nc1C ZINC001085865316 926465583 /nfs/dbraw/zinc/46/55/83/926465583.db2.gz ZVWXYAXYTGZCEB-CYBMUJFWSA-N 1 2 289.379 1.886 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)cn1 ZINC001085935400 926521441 /nfs/dbraw/zinc/52/14/41/926521441.db2.gz DFUCRYXUMPZVDU-CYBMUJFWSA-N 1 2 291.782 1.905 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)cn1 ZINC001085935400 926521447 /nfs/dbraw/zinc/52/14/47/926521447.db2.gz DFUCRYXUMPZVDU-CYBMUJFWSA-N 1 2 291.782 1.905 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1OC ZINC001085938512 926524925 /nfs/dbraw/zinc/52/49/25/926524925.db2.gz 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/nfs/dbraw/zinc/58/50/93/926585093.db2.gz IJDAJSQYDQMVGH-ZDUSSCGKSA-N 1 2 286.379 1.077 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(C)c1C1CC1 ZINC001086000407 926585097 /nfs/dbraw/zinc/58/50/97/926585097.db2.gz IJDAJSQYDQMVGH-ZDUSSCGKSA-N 1 2 286.379 1.077 20 30 CDEDLO N#Cc1ccc2c(C[N@@H+]3CCn4nncc4C3)c[nH]c2c1 ZINC001142922342 937093757 /nfs/dbraw/zinc/09/37/57/937093757.db2.gz DGJZZHRHEBZNGM-UHFFFAOYSA-N 1 2 278.319 1.647 20 30 CDEDLO N#Cc1ccc2c(C[N@H+]3CCn4nncc4C3)c[nH]c2c1 ZINC001142922342 937093760 /nfs/dbraw/zinc/09/37/60/937093760.db2.gz DGJZZHRHEBZNGM-UHFFFAOYSA-N 1 2 278.319 1.647 20 30 CDEDLO C[C@]1(CO)CC[N@H+](Cc2c(F)ccc(C#N)c2F)C[C@H]1O ZINC001143164809 937127508 /nfs/dbraw/zinc/12/75/08/937127508.db2.gz OQHNBDDELZTRPZ-UKRRQHHQSA-N 1 2 296.317 1.402 20 30 CDEDLO C[C@]1(CO)CC[N@@H+](Cc2c(F)ccc(C#N)c2F)C[C@H]1O ZINC001143164809 937127509 /nfs/dbraw/zinc/12/75/09/937127509.db2.gz OQHNBDDELZTRPZ-UKRRQHHQSA-N 1 2 296.317 1.402 20 30 CDEDLO N#CCc1ncc(NCCc2cn3ccccc3[nH+]2)cn1 ZINC001169003795 927609334 /nfs/dbraw/zinc/60/93/34/927609334.db2.gz GVTKTHUBHQYMFO-UHFFFAOYSA-N 1 2 278.319 1.845 20 30 CDEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001109072550 928786009 /nfs/dbraw/zinc/78/60/09/928786009.db2.gz IAEJDEULCHFMGQ-AGIUHOORSA-N 1 2 284.787 1.663 20 30 CDEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001109072550 928786010 /nfs/dbraw/zinc/78/60/10/928786010.db2.gz IAEJDEULCHFMGQ-AGIUHOORSA-N 1 2 284.787 1.663 20 30 CDEDLO Cc1nc(NCCCN(C)C(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001109414494 928927579 /nfs/dbraw/zinc/92/75/79/928927579.db2.gz VLJIEVQGWXTQAD-UHFFFAOYSA-N 1 2 298.350 1.559 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2cncc(F)c2)CC1 ZINC001112764269 929399905 /nfs/dbraw/zinc/39/99/05/929399905.db2.gz XVOIAEMTYORCPG-UHFFFAOYSA-N 1 2 293.342 1.181 20 30 CDEDLO C=CCOCC(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(C)on1 ZINC001152370920 937356925 /nfs/dbraw/zinc/35/69/25/937356925.db2.gz UDQDLWANQOYILH-GFCCVEGCSA-N 1 2 295.383 1.512 20 30 CDEDLO C=CCOCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(C)on1 ZINC001152370920 937356926 /nfs/dbraw/zinc/35/69/26/937356926.db2.gz UDQDLWANQOYILH-GFCCVEGCSA-N 1 2 295.383 1.512 20 30 CDEDLO N#CCCN1CCN(C(=O)c2c[nH]c3cc[nH+]cc23)CC1 ZINC001152976086 937404523 /nfs/dbraw/zinc/40/45/23/937404523.db2.gz AWPUEQZLFNZDHH-UHFFFAOYSA-N 1 2 283.335 1.234 20 30 CDEDLO CC[N@H+](Cc1nccs1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153232237 937430772 /nfs/dbraw/zinc/43/07/72/937430772.db2.gz AFQUYWOSHIOCIR-GFCCVEGCSA-N 1 2 291.420 1.883 20 30 CDEDLO CC[N@@H+](Cc1nccs1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153232237 937430775 /nfs/dbraw/zinc/43/07/75/937430775.db2.gz AFQUYWOSHIOCIR-GFCCVEGCSA-N 1 2 291.420 1.883 20 30 CDEDLO C=C1CCN(c2cc(N[C@@H](CC)CO)[nH+]cn2)CC1 ZINC001120814791 937838636 /nfs/dbraw/zinc/83/86/36/937838636.db2.gz HRUQRULCVYIUOY-LBPRGKRZSA-N 1 2 262.357 1.816 20 30 CDEDLO C=C1CCN(c2cc(N[C@@H](CC)CO)nc[nH+]2)CC1 ZINC001120814791 937838638 /nfs/dbraw/zinc/83/86/38/937838638.db2.gz HRUQRULCVYIUOY-LBPRGKRZSA-N 1 2 262.357 1.816 20 30 CDEDLO COCCCNC(=O)[C@H]1CC12CC[NH+](CCC#N)CC2 ZINC001274032161 931134059 /nfs/dbraw/zinc/13/40/59/931134059.db2.gz JCZXZCZCJLCQIZ-CYBMUJFWSA-N 1 2 279.384 1.155 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000822726090 931196437 /nfs/dbraw/zinc/19/64/37/931196437.db2.gz MKPORUCENPFUBO-STQMWFEESA-N 1 2 277.368 1.452 20 30 CDEDLO C#CC[N@@H+](CC)[C@H](C)CNC(=O)c1[nH]nc2c1CCCC2 ZINC001154140390 937509043 /nfs/dbraw/zinc/50/90/43/937509043.db2.gz NNGZCZBEATUNBT-GFCCVEGCSA-N 1 2 288.395 1.362 20 30 CDEDLO C#CC[N@H+](CC)[C@H](C)CNC(=O)c1[nH]nc2c1CCCC2 ZINC001154140390 937509045 /nfs/dbraw/zinc/50/90/45/937509045.db2.gz NNGZCZBEATUNBT-GFCCVEGCSA-N 1 2 288.395 1.362 20 30 CDEDLO Cn1c[nH+]c(CCNC(=O)/C=C/C(=O)c2ccccc2)c1 ZINC001144710918 931973933 /nfs/dbraw/zinc/97/39/33/931973933.db2.gz YLRZKPADMVRZQX-BQYQJAHWSA-N 1 2 283.331 1.518 20 30 CDEDLO N#Cc1cc(F)cnc1N[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC001160724254 932046957 /nfs/dbraw/zinc/04/69/57/932046957.db2.gz PETSYDZKTQVDGD-ZIAGYGMSSA-N 1 2 290.342 1.758 20 30 CDEDLO NC(=O)c1ccc(C(=[NH2+])Nc2cnc3ccoc3c2)cc1 ZINC001171256373 932153160 /nfs/dbraw/zinc/15/31/60/932153160.db2.gz HJOXFDXHECXQPE-UHFFFAOYSA-N 1 2 280.287 1.964 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)/C=C\C2CC2)C1 ZINC001149521449 932843978 /nfs/dbraw/zinc/84/39/78/932843978.db2.gz NHYRKVYYOHEJDN-GXMNPTEKSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)/C=C\C2CC2)C1 ZINC001149521449 932843986 /nfs/dbraw/zinc/84/39/86/932843986.db2.gz NHYRKVYYOHEJDN-GXMNPTEKSA-N 1 2 298.814 1.912 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1C1=CC[C@@H](C#N)CC1 ZINC001212855046 934220899 /nfs/dbraw/zinc/22/08/99/934220899.db2.gz QWNZOEKOCHXIEH-SECBINFHSA-N 1 2 260.297 1.807 20 30 CDEDLO Cc1nc(N[C@H](CNC(=O)[C@H](C)C#N)C2CC2)cc[nH+]1 ZINC001096598053 936190681 /nfs/dbraw/zinc/19/06/81/936190681.db2.gz JHIZGUCGPJUHDZ-BXKDBHETSA-N 1 2 273.340 1.251 20 30 CDEDLO C#CCN(C)c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1CC ZINC001121803621 937883171 /nfs/dbraw/zinc/88/31/71/937883171.db2.gz MPXURMDQJGNBRZ-CYBMUJFWSA-N 1 2 291.399 1.149 20 30 CDEDLO C#CCN(C)c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1CC ZINC001121803621 937883172 /nfs/dbraw/zinc/88/31/72/937883172.db2.gz MPXURMDQJGNBRZ-CYBMUJFWSA-N 1 2 291.399 1.149 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1cc(Cl)nc2c1CCC2 ZINC001156319748 938351121 /nfs/dbraw/zinc/35/11/21/938351121.db2.gz DERVIEDTXCQKCX-VIFPVBQESA-N 1 2 262.744 1.525 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1cc2ccc(Cl)nc2cn1 ZINC001156319828 938351238 /nfs/dbraw/zinc/35/12/38/938351238.db2.gz GXNKERGIQUUZRN-JTQLQIEISA-N 1 2 273.727 1.585 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)Oc1cccnc1Cl ZINC001156320985 938351588 /nfs/dbraw/zinc/35/15/88/938351588.db2.gz KOXUUWGAEDVDPM-QMMMGPOBSA-N 1 2 288.685 1.461 20 30 CDEDLO N#Cc1cc2c(nc1NCc1cc[nH+]c(N)c1)CCOC2 ZINC001156761865 938415483 /nfs/dbraw/zinc/41/54/83/938415483.db2.gz ZZBJVABUNXSWMN-UHFFFAOYSA-N 1 2 281.319 1.615 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1ncnc2[nH]cc(C#N)c21 ZINC001157461920 938496091 /nfs/dbraw/zinc/49/60/91/938496091.db2.gz UQXJOBBDZZODEW-UHFFFAOYSA-N 1 2 281.323 1.553 20 30 CDEDLO N#Cc1cnc(N[C@@H]2CCC[C@H]2[NH+]2CCOCC2)c(C#N)c1 ZINC001160725169 938820675 /nfs/dbraw/zinc/82/06/75/938820675.db2.gz SKJAVEITXFNISH-HUUCEWRRSA-N 1 2 297.362 1.490 20 30 CDEDLO N#CC1(c2cc[nH+]c(NC[C@H]3CCNC(=O)C3)c2)CC1 ZINC001162330496 939025707 /nfs/dbraw/zinc/02/57/07/939025707.db2.gz TZVVAPNMEAPDGU-NSHDSACASA-N 1 2 270.336 1.575 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1nccc(F)c1C#N ZINC001162854602 939154499 /nfs/dbraw/zinc/15/44/99/939154499.db2.gz SFGWPTOLCFUVLL-JTQLQIEISA-N 1 2 280.303 1.173 20 30 CDEDLO N#CC1(c2cc[nH+]c(NC[C@H]3CCC(=O)N3)c2)CC1 ZINC001164164615 939423964 /nfs/dbraw/zinc/42/39/64/939423964.db2.gz VTEPMJWMRABOAA-LLVKDONJSA-N 1 2 256.309 1.327 20 30 CDEDLO CC(C)(C)c1nc2c(o1)c(C#N)c[nH]c2=NOCC[NH3+] ZINC001164415190 939472031 /nfs/dbraw/zinc/47/20/31/939472031.db2.gz QMKGGOHGLYZZBL-UHFFFAOYSA-N 1 2 275.312 1.694 20 30 CDEDLO COc1ccc2ccc(N3CC[NH2+]C[C@H]3C#N)nc2c1 ZINC001164651942 939501969 /nfs/dbraw/zinc/50/19/69/939501969.db2.gz NBRAZJNQCWDNQF-GFCCVEGCSA-N 1 2 268.320 1.545 20 30 CDEDLO Cc1cc(CN(C)c2cc(CC#N)cc[nH+]2)n(C)n1 ZINC001166596858 939617581 /nfs/dbraw/zinc/61/75/81/939617581.db2.gz CDLWUWSANADUHT-UHFFFAOYSA-N 1 2 255.325 1.826 20 30 CDEDLO C[C@@H]1C[NH+](C2CN(Cc3cccc(C#N)c3)C2)C[C@@H](C)O1 ZINC001203765032 939703468 /nfs/dbraw/zinc/70/34/68/939703468.db2.gz TXXLKZUBAPFHMO-ZIAGYGMSSA-N 1 2 285.391 1.852 20 30 CDEDLO C[C@@H]1CN(C2C[NH+](Cc3cccc(C#N)c3)C2)C[C@@H](C)O1 ZINC001203765032 939703470 /nfs/dbraw/zinc/70/34/70/939703470.db2.gz TXXLKZUBAPFHMO-ZIAGYGMSSA-N 1 2 285.391 1.852 20 30 CDEDLO C=CCOc1ccc(C[NH+]2CCN(C(N)=O)CC2)cc1 ZINC001204300584 939754270 /nfs/dbraw/zinc/75/42/70/939754270.db2.gz WXBWZGNRCXLLHL-UHFFFAOYSA-N 1 2 275.352 1.448 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001207029947 940132550 /nfs/dbraw/zinc/13/25/50/940132550.db2.gz PNMDSUGUNWVJIB-BBBLOLIVSA-N 1 2 280.265 1.347 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001207029947 940132552 /nfs/dbraw/zinc/13/25/52/940132552.db2.gz PNMDSUGUNWVJIB-BBBLOLIVSA-N 1 2 280.265 1.347 20 30 CDEDLO C=CCCC(=O)N1CCC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001207636983 940225492 /nfs/dbraw/zinc/22/54/92/940225492.db2.gz ZXJWFYZEJQPDOZ-NSHDSACASA-N 1 2 280.397 1.585 20 30 CDEDLO C=CCN(CC[N@@H+]1CCC[C@H]1C(=O)OC)C(=O)OCC ZINC001209017586 940424042 /nfs/dbraw/zinc/42/40/42/940424042.db2.gz UQZVVBRSIYPULU-LBPRGKRZSA-N 1 2 284.356 1.268 20 30 CDEDLO C=CCN(CC[N@H+]1CCC[C@H]1C(=O)OC)C(=O)OCC ZINC001209017586 940424043 /nfs/dbraw/zinc/42/40/43/940424043.db2.gz UQZVVBRSIYPULU-LBPRGKRZSA-N 1 2 284.356 1.268 20 30 CDEDLO C=CCN(CC[N@@H+]1C[C@@H](C)OC[C@@H]1C)C(=O)OCC ZINC001209024944 940426022 /nfs/dbraw/zinc/42/60/22/940426022.db2.gz YHUWQNHDPRBEEN-QWHCGFSZSA-N 1 2 270.373 1.740 20 30 CDEDLO C=CCN(CC[N@H+]1C[C@@H](C)OC[C@@H]1C)C(=O)OCC ZINC001209024944 940426024 /nfs/dbraw/zinc/42/60/24/940426024.db2.gz YHUWQNHDPRBEEN-QWHCGFSZSA-N 1 2 270.373 1.740 20 30 CDEDLO N#Cc1cncc(Nc2ccc[nH+]c2N2CCOCC2)c1 ZINC001210083740 940661459 /nfs/dbraw/zinc/66/14/59/940661459.db2.gz BJCLKPTYPDVMIV-UHFFFAOYSA-N 1 2 281.319 1.928 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)C(C)(C)C)[C@H]2C1 ZINC001219008322 941300521 /nfs/dbraw/zinc/30/05/21/941300521.db2.gz CPFNKMUMJSHIMP-QLFBSQMISA-N 1 2 292.423 1.604 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)C(C)(C)C)[C@H]2C1 ZINC001219008322 941300523 /nfs/dbraw/zinc/30/05/23/941300523.db2.gz CPFNKMUMJSHIMP-QLFBSQMISA-N 1 2 292.423 1.604 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)OC)[C@@H]2C1 ZINC001221430999 941534234 /nfs/dbraw/zinc/53/42/34/941534234.db2.gz WLZYJYJCOOXOKD-JHJVBQTASA-N 1 2 286.803 1.697 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)OC)[C@@H]2C1 ZINC001221430999 941534235 /nfs/dbraw/zinc/53/42/35/941534235.db2.gz WLZYJYJCOOXOKD-JHJVBQTASA-N 1 2 286.803 1.697 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](CC(=C)Cl)C[C@H]21 ZINC001222069699 941559729 /nfs/dbraw/zinc/55/97/29/941559729.db2.gz VXKWMLXORAZJEW-BFHYXJOUSA-N 1 2 298.814 1.863 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC(=C)Cl)C[C@H]21 ZINC001222069699 941559731 /nfs/dbraw/zinc/55/97/31/941559731.db2.gz VXKWMLXORAZJEW-BFHYXJOUSA-N 1 2 298.814 1.863 20 30 CDEDLO N#CCOc1cccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC001362059691 970832484 /nfs/dbraw/zinc/83/24/84/970832484.db2.gz QIOBNWCOCAVSKW-GFCCVEGCSA-N 1 2 296.330 1.987 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncc(Cl)cn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226660859 942043813 /nfs/dbraw/zinc/04/38/13/942043813.db2.gz MJCPMENNMJMPSF-HBKXCPMBSA-N 1 2 267.716 1.121 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncc(Cl)cn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226660859 942043818 /nfs/dbraw/zinc/04/38/18/942043818.db2.gz MJCPMENNMJMPSF-HBKXCPMBSA-N 1 2 267.716 1.121 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)C#CC(C)C)CC1 ZINC001227233009 942154521 /nfs/dbraw/zinc/15/45/21/942154521.db2.gz OHHYHCPTROVCAA-UHFFFAOYSA-N 1 2 268.788 1.979 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Oc1cnc(Cl)c(C#N)c1 ZINC001227744777 942216142 /nfs/dbraw/zinc/21/61/42/942216142.db2.gz LOYZAYBGOBOSTR-JTQLQIEISA-N 1 2 281.743 1.706 20 30 CDEDLO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)nc(C(C)C)n1 ZINC001228248646 942284864 /nfs/dbraw/zinc/28/48/64/942284864.db2.gz CZJQDZGLNFFHPO-KYFMZXIUSA-N 1 2 289.379 1.900 20 30 CDEDLO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)nc(C(C)C)n1 ZINC001228248646 942284867 /nfs/dbraw/zinc/28/48/67/942284867.db2.gz CZJQDZGLNFFHPO-KYFMZXIUSA-N 1 2 289.379 1.900 20 30 CDEDLO N#Cc1ccc(F)c(C(=O)N2CC(Oc3cc[nH+]cc3)C2)c1 ZINC001362115682 970905135 /nfs/dbraw/zinc/90/51/35/970905135.db2.gz FPVVDRSCPCAMAU-UHFFFAOYSA-N 1 2 297.289 1.996 20 30 CDEDLO CCO[C@H](C)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230519726 942629948 /nfs/dbraw/zinc/62/99/48/942629948.db2.gz WIEFXASUWDLHOS-UKRRQHHQSA-N 1 2 293.411 1.638 20 30 CDEDLO CCO[C@H](C)C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001230519726 942629950 /nfs/dbraw/zinc/62/99/50/942629950.db2.gz WIEFXASUWDLHOS-UKRRQHHQSA-N 1 2 293.411 1.638 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1 ZINC001230621684 942660460 /nfs/dbraw/zinc/66/04/60/942660460.db2.gz QOKDUXFOLOTIJR-MRXNPFEDSA-N 1 2 286.375 1.483 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1 ZINC001230621684 942660465 /nfs/dbraw/zinc/66/04/65/942660465.db2.gz QOKDUXFOLOTIJR-MRXNPFEDSA-N 1 2 286.375 1.483 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC=CCC1 ZINC001230734412 942687600 /nfs/dbraw/zinc/68/76/00/942687600.db2.gz DIWFSCCBOKRJIG-HZPDHXFCSA-N 1 2 290.407 1.525 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC=CCC1 ZINC001230734412 942687601 /nfs/dbraw/zinc/68/76/01/942687601.db2.gz DIWFSCCBOKRJIG-HZPDHXFCSA-N 1 2 290.407 1.525 20 30 CDEDLO CN(C[C@H]1CC[N@@H+]1C/C=C\Cl)C(=O)CSCC#N ZINC001230819385 942706402 /nfs/dbraw/zinc/70/64/02/942706402.db2.gz SWXRHMPMEPGGOP-CJHWANRJSA-N 1 2 287.816 1.528 20 30 CDEDLO CN(C[C@H]1CC[N@H+]1C/C=C\Cl)C(=O)CSCC#N ZINC001230819385 942706405 /nfs/dbraw/zinc/70/64/05/942706405.db2.gz SWXRHMPMEPGGOP-CJHWANRJSA-N 1 2 287.816 1.528 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)SC ZINC001230850044 942713122 /nfs/dbraw/zinc/71/31/22/942713122.db2.gz WQXIKEDPDASVEI-VXGBXAGGSA-N 1 2 254.399 1.294 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)SC ZINC001230850044 942713130 /nfs/dbraw/zinc/71/31/30/942713130.db2.gz WQXIKEDPDASVEI-VXGBXAGGSA-N 1 2 254.399 1.294 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001231095430 942783380 /nfs/dbraw/zinc/78/33/80/942783380.db2.gz PYMXVSHYLQJHGX-CHWSQXEVSA-N 1 2 272.364 1.470 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001231095430 942783384 /nfs/dbraw/zinc/78/33/84/942783384.db2.gz PYMXVSHYLQJHGX-CHWSQXEVSA-N 1 2 272.364 1.470 20 30 CDEDLO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2O)CC[C@]1(C)O ZINC001232674218 943357671 /nfs/dbraw/zinc/35/76/71/943357671.db2.gz SYVJORSZJRSHNJ-NHYWBVRUSA-N 1 2 260.337 1.857 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2O)CC[C@]1(C)O ZINC001232674218 943357674 /nfs/dbraw/zinc/35/76/74/943357674.db2.gz SYVJORSZJRSHNJ-NHYWBVRUSA-N 1 2 260.337 1.857 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3cnccn3)C2)c1 ZINC001232681542 943361304 /nfs/dbraw/zinc/36/13/04/943361304.db2.gz PWJSNLBNRIIMAN-AWEZNQCLSA-N 1 2 296.330 1.707 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H](Oc3cnccn3)C2)c1 ZINC001232681542 943361311 /nfs/dbraw/zinc/36/13/11/943361311.db2.gz PWJSNLBNRIIMAN-AWEZNQCLSA-N 1 2 296.330 1.707 20 30 CDEDLO C[C@@]1(CO)CC[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1O ZINC001232888406 943426638 /nfs/dbraw/zinc/42/66/38/943426638.db2.gz BNQDPRPOZQCHRX-CABCVRRESA-N 1 2 278.327 1.263 20 30 CDEDLO C[C@@]1(CO)CC[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1O ZINC001232888406 943426642 /nfs/dbraw/zinc/42/66/42/943426642.db2.gz BNQDPRPOZQCHRX-CABCVRRESA-N 1 2 278.327 1.263 20 30 CDEDLO C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1C/C=C\Cl ZINC001234265940 943787773 /nfs/dbraw/zinc/78/77/73/943787773.db2.gz MZYVKYNEUIGEPV-XHSUHYBKSA-N 1 2 284.787 1.310 20 30 CDEDLO C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1C/C=C\Cl ZINC001234265940 943787777 /nfs/dbraw/zinc/78/77/77/943787777.db2.gz MZYVKYNEUIGEPV-XHSUHYBKSA-N 1 2 284.787 1.310 20 30 CDEDLO C=C(CC(C)C)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001263869668 944015078 /nfs/dbraw/zinc/01/50/78/944015078.db2.gz ZSQLIIZRTVSAFJ-HNNXBMFYSA-N 1 2 296.411 1.148 20 30 CDEDLO COC(=O)c1ccnc(C[NH+]2CCC(C#N)CC2)c1 ZINC001235196554 944084838 /nfs/dbraw/zinc/08/48/38/944084838.db2.gz DKIAKUCMMJSADA-UHFFFAOYSA-N 1 2 259.309 1.604 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1nnc(C2CC2)o1 ZINC001235480064 944168534 /nfs/dbraw/zinc/16/85/34/944168534.db2.gz ISZFVBHEGDFBPU-UHFFFAOYSA-N 1 2 292.383 1.851 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1nnc(C2CC2)o1 ZINC001235480064 944168541 /nfs/dbraw/zinc/16/85/41/944168541.db2.gz ISZFVBHEGDFBPU-UHFFFAOYSA-N 1 2 292.383 1.851 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cncc(OCC)c2)CC1 ZINC001236846494 944593018 /nfs/dbraw/zinc/59/30/18/944593018.db2.gz YWNZYKSIOHBFTR-UHFFFAOYSA-N 1 2 259.353 1.231 20 30 CDEDLO N#Cc1ccc2nc(C[NH+]3CCSCC3)cn2c1 ZINC001237604073 944875199 /nfs/dbraw/zinc/87/51/99/944875199.db2.gz IURGUESZQBILSP-UHFFFAOYSA-N 1 2 258.350 1.755 20 30 CDEDLO C=CCS(=O)(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001259935776 945724474 /nfs/dbraw/zinc/72/44/74/945724474.db2.gz TXMLSAHKKDIDCA-LBPRGKRZSA-N 1 2 281.381 1.156 20 30 CDEDLO Cc1cc(COS(C)(=O)=O)ccc1-c1c[nH+]cn1C ZINC001243069415 947002656 /nfs/dbraw/zinc/00/26/56/947002656.db2.gz GLWXSCFHBILYAQ-UHFFFAOYSA-N 1 2 280.349 1.872 20 30 CDEDLO N#Cc1cnccc1-c1ccc(C[NH+]2CCOCC2)cn1 ZINC001244332236 947366522 /nfs/dbraw/zinc/36/65/22/947366522.db2.gz FLCPVEBXSWNYER-UHFFFAOYSA-N 1 2 280.331 1.847 20 30 CDEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCCOC1 ZINC001254364180 947389227 /nfs/dbraw/zinc/38/92/27/947389227.db2.gz OZIAYSDMTGMRCE-STQMWFEESA-N 1 2 255.358 1.899 20 30 CDEDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1C#N ZINC001254551706 947520549 /nfs/dbraw/zinc/52/05/49/947520549.db2.gz DINAVPZNBOZUSB-AAEUAGOBSA-N 1 2 274.324 1.323 20 30 CDEDLO CCOC(=O)CC[N@H+](CC(=O)OCC)[C@@H]1CC[C@@H](C#N)C1 ZINC001254669841 947584406 /nfs/dbraw/zinc/58/44/06/947584406.db2.gz WCLGTYQCIZLBMG-CHWSQXEVSA-N 1 2 296.367 1.497 20 30 CDEDLO CCOC(=O)CC[N@@H+](CC(=O)OCC)[C@@H]1CC[C@@H](C#N)C1 ZINC001254669841 947584418 /nfs/dbraw/zinc/58/44/18/947584418.db2.gz WCLGTYQCIZLBMG-CHWSQXEVSA-N 1 2 296.367 1.497 20 30 CDEDLO N#C[C@H]1CN([C@H]2CC[N@H+](Cc3ccccc3)C2)CCC1=O ZINC001255117260 947743035 /nfs/dbraw/zinc/74/30/35/947743035.db2.gz PJPBBRAELYWGGR-HOTGVXAUSA-N 1 2 283.375 1.675 20 30 CDEDLO N#C[C@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1=O ZINC001255117260 947743043 /nfs/dbraw/zinc/74/30/43/947743043.db2.gz PJPBBRAELYWGGR-HOTGVXAUSA-N 1 2 283.375 1.675 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001255166701 947762015 /nfs/dbraw/zinc/76/20/15/947762015.db2.gz PCQDIKKNRSOXIF-UTLUCORTSA-N 1 2 250.264 1.781 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001255166701 947762023 /nfs/dbraw/zinc/76/20/23/947762023.db2.gz PCQDIKKNRSOXIF-UTLUCORTSA-N 1 2 250.264 1.781 20 30 CDEDLO C=C1CC=C(F)C=C1N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246336990 948115283 /nfs/dbraw/zinc/11/52/83/948115283.db2.gz POHGODSGWIGSCZ-PWSUYJOCSA-N 1 2 252.289 1.177 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256808329 948429027 /nfs/dbraw/zinc/42/90/27/948429027.db2.gz DLHNRDLHGGWPMJ-BZUAXINKSA-N 1 2 271.364 1.704 20 30 CDEDLO C=CCCCNC(=S)N(CC)CC[NH+]1CCOCC1 ZINC001247735323 948735152 /nfs/dbraw/zinc/73/51/52/948735152.db2.gz NSFFJIKBKDKDGM-UHFFFAOYSA-N 1 2 285.457 1.481 20 30 CDEDLO C#CCOC[C@H](O)C[NH+]1Cc2cc(OC)c(OC)cc2C1 ZINC001251860745 950886294 /nfs/dbraw/zinc/88/62/94/950886294.db2.gz SYFMGLPNBHLUGD-CQSZACIVSA-N 1 2 291.347 1.030 20 30 CDEDLO C=CCOC[C@H](O)CNc1cc([C@@H](C)O)cc[nH+]1 ZINC001252459039 951304027 /nfs/dbraw/zinc/30/40/27/951304027.db2.gz UABTYJLMYXQWGU-ZYHUDNBSSA-N 1 2 252.314 1.110 20 30 CDEDLO C=C[C@@](C)(O)CNc1ccc(N2CC[C@H](O)C2)[nH+]c1 ZINC001252545924 951432203 /nfs/dbraw/zinc/43/22/03/951432203.db2.gz QPKBOACIQKEEJS-GXTWGEPZSA-N 1 2 263.341 1.002 20 30 CDEDLO C=C[C@@](C)(O)C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC001252557738 951452526 /nfs/dbraw/zinc/45/25/26/951452526.db2.gz KNPCGNTZRDNOEY-GDBMZVCRSA-N 1 2 275.348 1.523 20 30 CDEDLO C=C[C@@](C)(O)C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC001252557738 951452529 /nfs/dbraw/zinc/45/25/29/951452529.db2.gz KNPCGNTZRDNOEY-GDBMZVCRSA-N 1 2 275.348 1.523 20 30 CDEDLO C=C[C@@H](O)C[N@@H+]1CCn2cnc(COCC3CC3)c2C1 ZINC001253576342 951964525 /nfs/dbraw/zinc/96/45/25/951964525.db2.gz CDNBPWYXIUUZRW-CYBMUJFWSA-N 1 2 277.368 1.172 20 30 CDEDLO C=C[C@@H](O)C[N@H+]1CCn2cnc(COCC3CC3)c2C1 ZINC001253576342 951964529 /nfs/dbraw/zinc/96/45/29/951964529.db2.gz CDNBPWYXIUUZRW-CYBMUJFWSA-N 1 2 277.368 1.172 20 30 CDEDLO C[C@H](C(=O)N1CCc2ccc(C#N)cc21)n1cc[nH+]c1 ZINC001324469847 953405367 /nfs/dbraw/zinc/40/53/67/953405367.db2.gz VIWBYFWLEXTOLE-LLVKDONJSA-N 1 2 266.304 1.905 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@]1(C)CCOC1 ZINC001422212440 955852229 /nfs/dbraw/zinc/85/22/29/955852229.db2.gz JOIMKNCZRUCFIR-ZDUSSCGKSA-N 1 2 274.792 1.556 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@]1(C)CCOC1 ZINC001422212440 955852240 /nfs/dbraw/zinc/85/22/40/955852240.db2.gz JOIMKNCZRUCFIR-ZDUSSCGKSA-N 1 2 274.792 1.556 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)NCC1(C#N)CCC1 ZINC001365647852 956265898 /nfs/dbraw/zinc/26/58/98/956265898.db2.gz FLIWNHWTUZDORL-UHFFFAOYSA-N 1 2 275.356 1.608 20 30 CDEDLO N#Cc1csc(C[NH2+]Cc2cnc3ccccn23)n1 ZINC001308537377 956540347 /nfs/dbraw/zinc/54/03/47/956540347.db2.gz ULVWOTWHHXDZLD-UHFFFAOYSA-N 1 2 269.333 1.952 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CC[C@H]2CCCO2)CC1 ZINC001313443721 956861555 /nfs/dbraw/zinc/86/15/55/956861555.db2.gz XSDOELPWSLOCAL-CQSZACIVSA-N 1 2 264.369 1.113 20 30 CDEDLO C=C(C)Cn1nnnc1N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC001333674275 958501663 /nfs/dbraw/zinc/50/16/63/958501663.db2.gz RRGNSKVWBIDDPN-QWHCGFSZSA-N 1 2 287.371 1.533 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCC2(C#N)CCC2)C1 ZINC001414671035 972413479 /nfs/dbraw/zinc/41/34/79/972413479.db2.gz JGIHZHZJSNYOFV-GFCCVEGCSA-N 1 2 287.367 1.613 20 30 CDEDLO C#CCNC(=O)[C@H](C)SCc1cc(OC)cc(C)[nH+]1 ZINC001320670437 959308386 /nfs/dbraw/zinc/30/83/86/959308386.db2.gz UQAAPMYVCQKIPG-NSHDSACASA-N 1 2 278.377 1.770 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NCC(C)(CO)CO ZINC001336652407 960441648 /nfs/dbraw/zinc/44/16/48/960441648.db2.gz JJPGIXFJJHAQRN-UHFFFAOYSA-N 1 2 278.352 1.277 20 30 CDEDLO N#C[C@H]1CCCN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC001337027962 960867320 /nfs/dbraw/zinc/86/73/20/960867320.db2.gz IIRPUZWAMKTYIO-LLVKDONJSA-N 1 2 297.318 1.035 20 30 CDEDLO C#CCNC(=O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC001323797141 960974333 /nfs/dbraw/zinc/97/43/33/960974333.db2.gz PPCHSZMFJKOSSJ-JTQLQIEISA-N 1 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/nfs/dbraw/zinc/43/75/04/963437504.db2.gz LZZZPEOMDMOUSA-HUUCEWRRSA-N 1 2 295.427 1.847 20 30 CDEDLO C=CCC[C@@H]1CCCN1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001341496664 963437507 /nfs/dbraw/zinc/43/75/07/963437507.db2.gz LZZZPEOMDMOUSA-HUUCEWRRSA-N 1 2 295.427 1.847 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cncnc1C ZINC001438858902 963577311 /nfs/dbraw/zinc/57/73/11/963577311.db2.gz SSIKYQIVYPHHGO-UHFFFAOYSA-N 1 2 282.775 1.541 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cncnc1C ZINC001438858902 963577315 /nfs/dbraw/zinc/57/73/15/963577315.db2.gz SSIKYQIVYPHHGO-UHFFFAOYSA-N 1 2 282.775 1.541 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1cc[nH]n1 ZINC001440899737 964237634 /nfs/dbraw/zinc/23/76/34/964237634.db2.gz CFGPNLCHIMMLLU-SNVBAGLBSA-N 1 2 270.764 1.141 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1cc[nH]n1 ZINC001440899737 964237641 /nfs/dbraw/zinc/23/76/41/964237641.db2.gz CFGPNLCHIMMLLU-SNVBAGLBSA-N 1 2 270.764 1.141 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)/C=C\c1ccccc1C#N ZINC001348064688 965807496 /nfs/dbraw/zinc/80/74/96/965807496.db2.gz SQCMLEMDEIFPAV-SREVYHEPSA-N 1 2 280.331 1.664 20 30 CDEDLO Cc1cnc(C[NH2+]C2(CNC(=O)[C@H](C)C#N)CCC2)o1 ZINC001447184887 966717845 /nfs/dbraw/zinc/71/78/45/966717845.db2.gz XHDPEYILCTWXKZ-SNVBAGLBSA-N 1 2 276.340 1.271 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)c1cc[nH]n1 ZINC001447759786 966864002 /nfs/dbraw/zinc/86/40/02/966864002.db2.gz FCOJKSZPCWLQSU-LLVKDONJSA-N 1 2 282.775 1.699 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1cc[nH]n1 ZINC001447759786 966864006 /nfs/dbraw/zinc/86/40/06/966864006.db2.gz FCOJKSZPCWLQSU-LLVKDONJSA-N 1 2 282.775 1.699 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)c1ccn[nH]1 ZINC001447759786 966864011 /nfs/dbraw/zinc/86/40/11/966864011.db2.gz FCOJKSZPCWLQSU-LLVKDONJSA-N 1 2 282.775 1.699 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccn[nH]1 ZINC001447759786 966864016 /nfs/dbraw/zinc/86/40/16/966864016.db2.gz FCOJKSZPCWLQSU-LLVKDONJSA-N 1 2 282.775 1.699 20 30 CDEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001351220933 966889703 /nfs/dbraw/zinc/88/97/03/966889703.db2.gz CPWZFSFKRGHEAG-DOMZBBRYSA-N 1 2 274.368 1.941 20 30 CDEDLO C#CCCCCC(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001100028427 967247308 /nfs/dbraw/zinc/24/73/08/967247308.db2.gz SYIDJKNFFZWFST-UHFFFAOYSA-N 1 2 274.368 1.531 20 30 CDEDLO C[C@H](O)C[C@H]1COCC[N@@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001473366426 969723857 /nfs/dbraw/zinc/72/38/57/969723857.db2.gz SXZQPFULHNJZLI-RCBQFDQVSA-N 1 2 290.363 1.063 20 30 CDEDLO C[C@H](O)C[C@H]1COCC[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001473366426 969723862 /nfs/dbraw/zinc/72/38/62/969723862.db2.gz SXZQPFULHNJZLI-RCBQFDQVSA-N 1 2 290.363 1.063 20 30 CDEDLO COC[C@@H](C)C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001371928231 972695628 /nfs/dbraw/zinc/69/56/28/972695628.db2.gz UAWIQJCDBAXELC-CYBMUJFWSA-N 1 2 289.379 1.389 20 30 CDEDLO COC[C@@H](C)C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001371928231 972695633 /nfs/dbraw/zinc/69/56/33/972695633.db2.gz UAWIQJCDBAXELC-CYBMUJFWSA-N 1 2 289.379 1.389 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)COC(C)C)C1 ZINC001373660197 973549576 /nfs/dbraw/zinc/54/95/76/973549576.db2.gz NMZLOYXHQHREFN-GFCCVEGCSA-N 1 2 274.792 1.697 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)COC(C)C)C1 ZINC001373660197 973549584 /nfs/dbraw/zinc/54/95/84/973549584.db2.gz NMZLOYXHQHREFN-GFCCVEGCSA-N 1 2 274.792 1.697 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc(C)no1 ZINC001374462822 973958803 /nfs/dbraw/zinc/95/88/03/973958803.db2.gz MUOXDZBQSVFSLK-UHFFFAOYSA-N 1 2 271.748 1.739 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc(C)no1 ZINC001374462822 973958815 /nfs/dbraw/zinc/95/88/15/973958815.db2.gz MUOXDZBQSVFSLK-UHFFFAOYSA-N 1 2 271.748 1.739 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)Cn2ccnc2C)C1 ZINC001377481357 975044425 /nfs/dbraw/zinc/04/44/25/975044425.db2.gz WBPQBUMKDBOWCP-ZDUSSCGKSA-N 1 2 296.802 1.382 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)Cn2ccnc2C)C1 ZINC001377481357 975044431 /nfs/dbraw/zinc/04/44/31/975044431.db2.gz WBPQBUMKDBOWCP-ZDUSSCGKSA-N 1 2 296.802 1.382 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1ncc[nH]1 ZINC001378164057 975266988 /nfs/dbraw/zinc/26/69/88/975266988.db2.gz NVMSRNCFKSWXNT-SNVBAGLBSA-N 1 2 270.764 1.141 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1ncc[nH]1 ZINC001378164057 975266993 /nfs/dbraw/zinc/26/69/93/975266993.db2.gz NVMSRNCFKSWXNT-SNVBAGLBSA-N 1 2 270.764 1.141 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)C1CC[NH+](Cc2ccon2)CC1 ZINC001398188667 975881575 /nfs/dbraw/zinc/88/15/75/975881575.db2.gz WKEHKBIJBPWYFC-NSHDSACASA-N 1 2 276.340 1.257 20 30 CDEDLO CCc1noc(C[N@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)n1 ZINC001380950448 976623641 /nfs/dbraw/zinc/62/36/41/976623641.db2.gz UGWGUJBTIBTRFO-NSHDSACASA-N 1 2 293.371 1.072 20 30 CDEDLO CCc1noc(C[N@@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)n1 ZINC001380950448 976623648 /nfs/dbraw/zinc/62/36/48/976623648.db2.gz UGWGUJBTIBTRFO-NSHDSACASA-N 1 2 293.371 1.072 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cccc(=O)[nH]1 ZINC001399683412 976640346 /nfs/dbraw/zinc/64/03/46/976640346.db2.gz GUERKSDULWUEMH-UHFFFAOYSA-N 1 2 283.759 1.591 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cccc(=O)[nH]1 ZINC001399683412 976640350 /nfs/dbraw/zinc/64/03/50/976640350.db2.gz GUERKSDULWUEMH-UHFFFAOYSA-N 1 2 283.759 1.591 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cn1nc(C)cc1C ZINC001403140802 976757088 /nfs/dbraw/zinc/75/70/88/976757088.db2.gz KDLCVJMFTQSFNP-CYBMUJFWSA-N 1 2 298.818 1.689 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cn1nc(C)cc1C ZINC001403140802 976757096 /nfs/dbraw/zinc/75/70/96/976757096.db2.gz KDLCVJMFTQSFNP-CYBMUJFWSA-N 1 2 298.818 1.689 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(OC)no1 ZINC001392638915 977519293 /nfs/dbraw/zinc/51/92/93/977519293.db2.gz GTTCEOUZMHOEFQ-SECBINFHSA-N 1 2 287.747 1.486 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(OC)no1 ZINC001392638915 977519300 /nfs/dbraw/zinc/51/93/00/977519300.db2.gz GTTCEOUZMHOEFQ-SECBINFHSA-N 1 2 287.747 1.486 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001132303889 1163235022 /nfs/dbraw/zinc/23/50/22/1163235022.db2.gz ABTJVFYZROZRKG-JTQLQIEISA-N 1 2 280.372 1.747 20 30 CDEDLO C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C(=O)[O-])cc1F ZINC001588463845 983492847 /nfs/dbraw/zinc/49/28/47/983492847.db2.gz OOCVTUWBGJYZAF-UHFFFAOYSA-N 1 2 278.327 1.569 20 30 CDEDLO C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C(=O)[O-])cc1F ZINC001588463845 983492849 /nfs/dbraw/zinc/49/28/49/983492849.db2.gz OOCVTUWBGJYZAF-UHFFFAOYSA-N 1 2 278.327 1.569 20 30 CDEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nc(CCC)no1 ZINC001132569105 1163376199 /nfs/dbraw/zinc/37/61/99/1163376199.db2.gz KQSXDEMAZCRFFL-NEPJUHHUSA-N 1 2 294.399 1.686 20 30 CDEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nc(CCC)no1 ZINC001132569108 1163377065 /nfs/dbraw/zinc/37/70/65/1163377065.db2.gz KQSXDEMAZCRFFL-VXGBXAGGSA-N 1 2 294.399 1.686 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nc(C(C)C)no1 ZINC001132569846 1163378286 /nfs/dbraw/zinc/37/82/86/1163378286.db2.gz ZRIPWBZPKHZPLV-RYUDHWBXSA-N 1 2 294.399 1.857 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001132659783 1163427856 /nfs/dbraw/zinc/42/78/56/1163427856.db2.gz DAXPJHJKIDHGFK-NSHDSACASA-N 1 2 292.383 1.755 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[NH2+]Cc1nncs1 ZINC001132660774 1163429151 /nfs/dbraw/zinc/42/91/51/1163429151.db2.gz SRFXMWOSQOBNIK-SNVBAGLBSA-N 1 2 268.386 1.346 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[NH2+]Cc1nncs1 ZINC001132660773 1163428828 /nfs/dbraw/zinc/42/88/28/1163428828.db2.gz SRFXMWOSQOBNIK-JTQLQIEISA-N 1 2 268.386 1.346 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+]Cc1nnc(OCC)s1 ZINC001133157266 1163586917 /nfs/dbraw/zinc/58/69/17/1163586917.db2.gz HHHYJOOZQPLXPC-UHFFFAOYSA-N 1 2 298.412 1.499 20 30 CDEDLO C=C1CCC(C(=O)NCC[NH2+]Cc2nncs2)CC1 ZINC001133365435 1163657534 /nfs/dbraw/zinc/65/75/34/1163657534.db2.gz QLKLHUIVUMFBHJ-UHFFFAOYSA-N 1 2 280.397 1.490 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001133379049 1163662389 /nfs/dbraw/zinc/66/23/89/1163662389.db2.gz RSOHQXZDJYBGHS-OAHLLOKOSA-N 1 2 276.384 1.593 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[NH2+]Cc2nc(C)c(C)o2)C1 ZINC001133570366 1163789453 /nfs/dbraw/zinc/78/94/53/1163789453.db2.gz YGQAJHBSCRNEIK-UHFFFAOYSA-N 1 2 277.368 1.854 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000585817432 342456750 /nfs/dbraw/zinc/45/67/50/342456750.db2.gz ZZJOZDNONTYMMB-DZGCQCFKSA-N 1 2 279.384 1.249 20 30 CDEDLO N#Cc1cc2c(nc1N1CCn3cc[nH+]c3C1)CCC2 ZINC000060394320 398137298 /nfs/dbraw/zinc/13/72/98/398137298.db2.gz DAWMKBKSLDHEEL-UHFFFAOYSA-N 1 2 265.320 1.659 20 30 CDEDLO N#Cc1cccc(C(=O)NCc2cn3ccccc3[nH+]2)n1 ZINC000589261789 342502331 /nfs/dbraw/zinc/50/23/31/342502331.db2.gz SOZVCQKSLBHPGY-UHFFFAOYSA-N 1 2 277.287 1.531 20 30 CDEDLO N#Cc1cccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)n1 ZINC000589285030 342502585 /nfs/dbraw/zinc/50/25/85/342502585.db2.gz QOVNAYKLHWJLIC-UHFFFAOYSA-N 1 2 295.346 1.459 20 30 CDEDLO Cc1ccc2[nH+]c(CNC(=O)c3cccc(C#N)n3)cn2c1 ZINC000589327728 342504164 /nfs/dbraw/zinc/50/41/64/342504164.db2.gz BFSPLFREQBJRIC-UHFFFAOYSA-N 1 2 291.314 1.839 20 30 CDEDLO CC1(C)C[C@@]1(C#N)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000589980965 342517978 /nfs/dbraw/zinc/51/79/78/342517978.db2.gz POZCPRHZFHYGSU-YGRLFVJLSA-N 1 2 258.325 1.254 20 30 CDEDLO C=CC[N@@H+](CCC#N)Cc1cccc(NS(C)(=O)=O)c1 ZINC000590052806 342521102 /nfs/dbraw/zinc/52/11/02/342521102.db2.gz QPLCNZQEZDZQBR-UHFFFAOYSA-N 1 2 293.392 1.960 20 30 CDEDLO C=CC[N@H+](CCC#N)Cc1cccc(NS(C)(=O)=O)c1 ZINC000590052806 342521103 /nfs/dbraw/zinc/52/11/03/342521103.db2.gz QPLCNZQEZDZQBR-UHFFFAOYSA-N 1 2 293.392 1.960 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+]([C@H]2CC[C@H](C#N)C2)CCO1 ZINC000590162500 342523620 /nfs/dbraw/zinc/52/36/20/342523620.db2.gz UEUFVVOQSPHZAV-AVGNSLFASA-N 1 2 280.368 1.721 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+]([C@H]2CC[C@H](C#N)C2)CCO1 ZINC000590162500 342523621 /nfs/dbraw/zinc/52/36/21/342523621.db2.gz UEUFVVOQSPHZAV-AVGNSLFASA-N 1 2 280.368 1.721 20 30 CDEDLO COC1(CO)CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000401774643 398150550 /nfs/dbraw/zinc/15/05/50/398150550.db2.gz RCRSBQZOJYQEBD-UHFFFAOYSA-N 1 2 278.327 1.671 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)N3CC(C#N)C3)cc2n1C ZINC000590484966 342563873 /nfs/dbraw/zinc/56/38/73/342563873.db2.gz ALIAEFQRQNFZJV-UHFFFAOYSA-N 1 2 254.293 1.477 20 30 CDEDLO CN(C)c1cccc(OC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000562736174 361739553 /nfs/dbraw/zinc/73/95/53/361739553.db2.gz GCEJTWLTPAXLII-CQSZACIVSA-N 1 2 277.368 1.338 20 30 CDEDLO CN(C)c1cccc(OC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000562736174 361739554 /nfs/dbraw/zinc/73/95/54/361739554.db2.gz GCEJTWLTPAXLII-CQSZACIVSA-N 1 2 277.368 1.338 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccoc1C1CC1 ZINC000566976396 361761021 /nfs/dbraw/zinc/76/10/21/361761021.db2.gz MWJRICWTGNIQKF-AWEZNQCLSA-N 1 2 261.325 1.731 20 30 CDEDLO COC(=O)c1cnc(C[N@H+](C)Cc2ccc(C#N)cc2)cn1 ZINC000599258434 343990738 /nfs/dbraw/zinc/99/07/38/343990738.db2.gz GARCFCNYSHVZLH-UHFFFAOYSA-N 1 2 296.330 1.767 20 30 CDEDLO COC(=O)c1cnc(C[N@@H+](C)Cc2ccc(C#N)cc2)cn1 ZINC000599258434 343990739 /nfs/dbraw/zinc/99/07/39/343990739.db2.gz GARCFCNYSHVZLH-UHFFFAOYSA-N 1 2 296.330 1.767 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000591258862 342623290 /nfs/dbraw/zinc/62/32/90/342623290.db2.gz AIPQZHFDXHZKFT-MFKMUULPSA-N 1 2 261.300 1.823 20 30 CDEDLO N#Cc1cncc(N[C@@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000591460895 342633568 /nfs/dbraw/zinc/63/35/68/342633568.db2.gz LLZMHKLWPVERRL-LLVKDONJSA-N 1 2 266.308 1.434 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000592147830 342668089 /nfs/dbraw/zinc/66/80/89/342668089.db2.gz SJQTWTPZILRKGQ-QGZVFWFLSA-N 1 2 299.374 1.464 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000592147830 342668090 /nfs/dbraw/zinc/66/80/90/342668090.db2.gz SJQTWTPZILRKGQ-QGZVFWFLSA-N 1 2 299.374 1.464 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000592147696 342668179 /nfs/dbraw/zinc/66/81/79/342668179.db2.gz NOOXMWSHDGDFIA-CQSZACIVSA-N 1 2 273.292 1.785 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000592147696 342668180 /nfs/dbraw/zinc/66/81/80/342668180.db2.gz NOOXMWSHDGDFIA-CQSZACIVSA-N 1 2 273.292 1.785 20 30 CDEDLO C[C@H](C(=O)NCc1cccs1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148427 342668359 /nfs/dbraw/zinc/66/83/59/342668359.db2.gz YKUVQPMSBRCGFN-BXUZGUMPSA-N 1 2 293.392 1.103 20 30 CDEDLO C[C@H](C(=O)NCc1cccs1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148427 342668360 /nfs/dbraw/zinc/66/83/60/342668360.db2.gz YKUVQPMSBRCGFN-BXUZGUMPSA-N 1 2 293.392 1.103 20 30 CDEDLO COc1ncc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1Cl ZINC000592151704 342669081 /nfs/dbraw/zinc/66/90/81/342669081.db2.gz PFHJJYFKIMWZCS-ZDUSSCGKSA-N 1 2 281.743 1.594 20 30 CDEDLO COc1ncc(C[N@H+]2CC[C@@](O)(CC#N)C2)cc1Cl ZINC000592151704 342669082 /nfs/dbraw/zinc/66/90/82/342669082.db2.gz PFHJJYFKIMWZCS-ZDUSSCGKSA-N 1 2 281.743 1.594 20 30 CDEDLO COc1ccc(CNc2ccc(CO)c[nH+]2)cc1C#N ZINC000340576155 361852259 /nfs/dbraw/zinc/85/22/59/361852259.db2.gz KTDSLSIKFATTPW-UHFFFAOYSA-N 1 2 269.304 1.488 20 30 CDEDLO CC(C)Cn1nccc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592523792 342702603 /nfs/dbraw/zinc/70/26/03/342702603.db2.gz CBFZRACCWBNYNR-AWEZNQCLSA-N 1 2 262.357 1.390 20 30 CDEDLO CC(C)Cn1nccc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592523792 342702604 /nfs/dbraw/zinc/70/26/04/342702604.db2.gz CBFZRACCWBNYNR-AWEZNQCLSA-N 1 2 262.357 1.390 20 30 CDEDLO Cc1cccc2[nH+]c(CCNC(=O)[C@@H](C)C#N)cn21 ZINC000592938808 342747428 /nfs/dbraw/zinc/74/74/28/342747428.db2.gz PCLXNNBCRRCXHW-JTQLQIEISA-N 1 2 256.309 1.461 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CCC(F)(F)C1 ZINC000593153112 342773959 /nfs/dbraw/zinc/77/39/59/342773959.db2.gz IEECMARIDFWKAF-ONGXEEELSA-N 1 2 259.300 1.382 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000341714710 361991030 /nfs/dbraw/zinc/99/10/30/361991030.db2.gz JSDDFGKZMSRTLO-HOTGVXAUSA-N 1 2 299.374 1.412 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000341714710 361991038 /nfs/dbraw/zinc/99/10/38/361991038.db2.gz JSDDFGKZMSRTLO-HOTGVXAUSA-N 1 2 299.374 1.412 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCSc1cc(C#N)ccn1 ZINC000188297759 539039853 /nfs/dbraw/zinc/03/98/53/539039853.db2.gz MBUWJLFMIURQEV-NSHDSACASA-N 1 2 263.366 1.766 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCSc1cc(C#N)ccn1 ZINC000188297759 539039854 /nfs/dbraw/zinc/03/98/54/539039854.db2.gz MBUWJLFMIURQEV-NSHDSACASA-N 1 2 263.366 1.766 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)NCC#Cc1ccccc1 ZINC000357672645 539108334 /nfs/dbraw/zinc/10/83/34/539108334.db2.gz DEPAIZITKZFJPW-UHFFFAOYSA-N 1 2 268.320 1.271 20 30 CDEDLO C=CCNC(=O)c1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000192808639 539157164 /nfs/dbraw/zinc/15/71/64/539157164.db2.gz CEQUUBBJXSTGHP-UHFFFAOYSA-N 1 2 298.346 1.897 20 30 CDEDLO C=CCNC(=O)c1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000192808639 539157165 /nfs/dbraw/zinc/15/71/65/539157165.db2.gz CEQUUBBJXSTGHP-UHFFFAOYSA-N 1 2 298.346 1.897 20 30 CDEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)CCO)c1C#N ZINC000303038043 349754702 /nfs/dbraw/zinc/75/47/02/349754702.db2.gz IZODAGKWFNSENA-UHFFFAOYSA-N 1 2 270.336 1.477 20 30 CDEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)CCO)c1C#N ZINC000303038043 349754707 /nfs/dbraw/zinc/75/47/07/349754707.db2.gz IZODAGKWFNSENA-UHFFFAOYSA-N 1 2 270.336 1.477 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCCCc1ccccc1 ZINC000076185391 342319816 /nfs/dbraw/zinc/31/98/16/342319816.db2.gz BTCKBBMLROSEOC-UHFFFAOYSA-N 1 2 268.360 1.304 20 30 CDEDLO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611863 343109059 /nfs/dbraw/zinc/10/90/59/343109059.db2.gz OBMCJBNVTYVSSG-NXEZZACHSA-N 1 2 277.290 1.679 20 30 CDEDLO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611863 343109062 /nfs/dbraw/zinc/10/90/62/343109062.db2.gz OBMCJBNVTYVSSG-NXEZZACHSA-N 1 2 277.290 1.679 20 30 CDEDLO COC(=O)C[N@H+](CCOc1cccc(C#N)c1)C1CC1 ZINC000079500920 342345368 /nfs/dbraw/zinc/34/53/68/342345368.db2.gz GKDURBGALYVSNX-UHFFFAOYSA-N 1 2 274.320 1.574 20 30 CDEDLO COC(=O)C[N@@H+](CCOc1cccc(C#N)c1)C1CC1 ZINC000079500920 342345369 /nfs/dbraw/zinc/34/53/69/342345369.db2.gz GKDURBGALYVSNX-UHFFFAOYSA-N 1 2 274.320 1.574 20 30 CDEDLO C=CC[N@@H+](Cc1nc(C(=O)OCC)no1)[C@H](C)COC ZINC000595639836 343123606 /nfs/dbraw/zinc/12/36/06/343123606.db2.gz XIAVBWLJHGQNIH-SNVBAGLBSA-N 1 2 283.328 1.269 20 30 CDEDLO C=CC[N@H+](Cc1nc(C(=O)OCC)no1)[C@H](C)COC ZINC000595639836 343123608 /nfs/dbraw/zinc/12/36/08/343123608.db2.gz XIAVBWLJHGQNIH-SNVBAGLBSA-N 1 2 283.328 1.269 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595748620 343151368 /nfs/dbraw/zinc/15/13/68/343151368.db2.gz XVMDGTIIMRJQGT-XHSDSOJGSA-N 1 2 289.375 1.812 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595748620 343151369 /nfs/dbraw/zinc/15/13/69/343151369.db2.gz XVMDGTIIMRJQGT-XHSDSOJGSA-N 1 2 289.375 1.812 20 30 CDEDLO Cc1cc(C#N)nc(NCC2CC[NH+](CC(F)F)CC2)n1 ZINC000596239589 343283774 /nfs/dbraw/zinc/28/37/74/343283774.db2.gz SPPBCYVPVYMCDO-UHFFFAOYSA-N 1 2 295.337 1.468 20 30 CDEDLO C[C@@H](Nc1nc(C#N)c(Cl)s1)[C@@H]1C[N@H+](C)CCO1 ZINC000596168260 343257968 /nfs/dbraw/zinc/25/79/68/343257968.db2.gz SEPRFQURHAYROY-APPZFPTMSA-N 1 2 286.788 1.221 20 30 CDEDLO C[C@@H](Nc1nc(C#N)c(Cl)s1)[C@@H]1C[N@@H+](C)CCO1 ZINC000596168260 343257969 /nfs/dbraw/zinc/25/79/69/343257969.db2.gz SEPRFQURHAYROY-APPZFPTMSA-N 1 2 286.788 1.221 20 30 CDEDLO Cc1cccc(CCCNc2cc(C#N)cnn2)[nH+]1 ZINC000596233528 343262475 /nfs/dbraw/zinc/26/24/75/343262475.db2.gz IULCWCFFHFAYLS-UHFFFAOYSA-N 1 2 253.309 1.518 20 30 CDEDLO COc1c(C)[nH+]cnc1NCCc1ccc(C#N)cc1 ZINC000596321563 343302639 /nfs/dbraw/zinc/30/26/39/343302639.db2.gz JTGDDROVIVQUNU-UHFFFAOYSA-N 1 2 268.320 1.742 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+](C)Cc1cnn(C)c1 ZINC000120491550 362162679 /nfs/dbraw/zinc/16/26/79/362162679.db2.gz WCNQKHMTTAQDHX-UHFFFAOYSA-N 1 2 270.336 1.932 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+](C)Cc1cnn(C)c1 ZINC000120491550 362162686 /nfs/dbraw/zinc/16/26/86/362162686.db2.gz WCNQKHMTTAQDHX-UHFFFAOYSA-N 1 2 270.336 1.932 20 30 CDEDLO COCC[C@@H](C)O[NH+]=C(N)c1ccc(OC)cc1 ZINC000088511786 342386446 /nfs/dbraw/zinc/38/64/46/342386446.db2.gz UIUFEQGKLQRKIE-SNVBAGLBSA-N 1 2 252.314 1.757 20 30 CDEDLO N#CC[C@@H]1CCCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000596330231 343304725 /nfs/dbraw/zinc/30/47/25/343304725.db2.gz RIGISJFPNZFAGZ-QMMMGPOBSA-N 1 2 251.721 1.842 20 30 CDEDLO N#CC[C@@H]1CCCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000596330231 343304726 /nfs/dbraw/zinc/30/47/26/343304726.db2.gz RIGISJFPNZFAGZ-QMMMGPOBSA-N 1 2 251.721 1.842 20 30 CDEDLO Cc1[nH+]c2cc(NC(=O)C(=O)NC[C@H](C)C#N)ccc2n1C ZINC000091280717 342402872 /nfs/dbraw/zinc/40/28/72/342402872.db2.gz XKAIXTFUMRIIHP-SECBINFHSA-N 1 2 299.334 1.096 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCCCC#N)C(C)(C)CO ZINC000596552513 343341100 /nfs/dbraw/zinc/34/11/00/343341100.db2.gz BJFXPPZWCDNQFZ-LLVKDONJSA-N 1 2 293.371 1.083 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CCC(C#N)CC1 ZINC000597617245 343578146 /nfs/dbraw/zinc/57/81/46/343578146.db2.gz OMCFHFVCCRQRAE-NWINJMCUSA-N 1 2 286.379 1.970 20 30 CDEDLO CN1CCOC[C@H]1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000329006884 529780988 /nfs/dbraw/zinc/78/09/88/529780988.db2.gz YAFOKJWHPHBNMG-ZDUSSCGKSA-N 1 2 288.351 1.164 20 30 CDEDLO N#Cc1ccc(CCNC(=O)CCn2cc[nH+]c2)cc1 ZINC000597892562 343659819 /nfs/dbraw/zinc/65/98/19/343659819.db2.gz WOZRAEPJCVLVDP-UHFFFAOYSA-N 1 2 268.320 1.504 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCN(C)c2ccccc2C1 ZINC000619717244 349867771 /nfs/dbraw/zinc/86/77/71/349867771.db2.gz OKZZOXFEIUPBHY-ZDUSSCGKSA-N 1 2 260.337 1.666 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCN(C)c2ccccc2C1 ZINC000619717244 349867774 /nfs/dbraw/zinc/86/77/74/349867774.db2.gz OKZZOXFEIUPBHY-ZDUSSCGKSA-N 1 2 260.337 1.666 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+](C)C[C@H](C)c1nccs1 ZINC000619720563 349870779 /nfs/dbraw/zinc/87/07/79/349870779.db2.gz QRFOBTUBLFMNBO-VHSXEESVSA-N 1 2 254.355 1.906 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+](C)C[C@H](C)c1nccs1 ZINC000619720563 349870781 /nfs/dbraw/zinc/87/07/81/349870781.db2.gz QRFOBTUBLFMNBO-VHSXEESVSA-N 1 2 254.355 1.906 20 30 CDEDLO N#CCCCCNc1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC000598596208 343840693 /nfs/dbraw/zinc/84/06/93/343840693.db2.gz WXEUIPTXHIQJRF-UHFFFAOYSA-N 1 2 258.285 1.114 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCc2cc(F)ccc21 ZINC000598836396 343914594 /nfs/dbraw/zinc/91/45/94/343914594.db2.gz IENMJSLGWAWFJX-GDBMZVCRSA-N 1 2 289.354 1.816 20 30 CDEDLO CC1CC(C#N)(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000598949039 343933572 /nfs/dbraw/zinc/93/35/72/343933572.db2.gz SMWMELASUIWVFF-IQLKVPPVSA-N 1 2 258.325 1.254 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2ncsc2C1 ZINC000445870449 362275971 /nfs/dbraw/zinc/27/59/71/362275971.db2.gz AIMCRGRBESGBBI-NSHDSACASA-N 1 2 292.408 1.509 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2ncsc2C1 ZINC000445870449 362275973 /nfs/dbraw/zinc/27/59/73/362275973.db2.gz AIMCRGRBESGBBI-NSHDSACASA-N 1 2 292.408 1.509 20 30 CDEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000602608297 344492684 /nfs/dbraw/zinc/49/26/84/344492684.db2.gz LYRHGIOSUSERNC-CQSZACIVSA-N 1 2 293.392 1.460 20 30 CDEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000602608297 344492687 /nfs/dbraw/zinc/49/26/87/344492687.db2.gz LYRHGIOSUSERNC-CQSZACIVSA-N 1 2 293.392 1.460 20 30 CDEDLO CCNC(=O)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602765912 344573192 /nfs/dbraw/zinc/57/31/92/344573192.db2.gz IDROKFHJDOLKNU-UHFFFAOYSA-N 1 2 250.346 1.027 20 30 CDEDLO N#CCC1(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000602767944 344574370 /nfs/dbraw/zinc/57/43/70/344574370.db2.gz OUBHNKMLTVIMNL-ZDUSSCGKSA-N 1 2 277.368 1.003 20 30 CDEDLO N#CCC1(C[NH+]2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000602756757 344581582 /nfs/dbraw/zinc/58/15/82/344581582.db2.gz PDRBVPVWDYOICK-AWEZNQCLSA-N 1 2 263.385 1.477 20 30 CDEDLO N#CCC1(C[N@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)CC1 ZINC000602828235 344612867 /nfs/dbraw/zinc/61/28/67/344612867.db2.gz DKSNHVMESMHMFP-JTQLQIEISA-N 1 2 261.329 1.384 20 30 CDEDLO N#CCC1(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)CC1 ZINC000602828235 344612870 /nfs/dbraw/zinc/61/28/70/344612870.db2.gz DKSNHVMESMHMFP-JTQLQIEISA-N 1 2 261.329 1.384 20 30 CDEDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000265608346 362460123 /nfs/dbraw/zinc/46/01/23/362460123.db2.gz KUHQCUSRAZOOQF-VFGMZZLHSA-N 1 2 292.404 1.778 20 30 CDEDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000265608346 362460126 /nfs/dbraw/zinc/46/01/26/362460126.db2.gz KUHQCUSRAZOOQF-VFGMZZLHSA-N 1 2 292.404 1.778 20 30 CDEDLO COc1ccccc1[C@@H](C)NC(=O)C[NH2+][C@H](C)CC#N ZINC000602860319 344616031 /nfs/dbraw/zinc/61/60/31/344616031.db2.gz AYTHSUPETHUOBP-VXGBXAGGSA-N 1 2 275.352 1.764 20 30 CDEDLO CCOCc1ccccc1CNC(=O)C[NH2+][C@H](C)CC#N ZINC000602864658 344638294 /nfs/dbraw/zinc/63/82/94/344638294.db2.gz UIADQCVTWPADND-CYBMUJFWSA-N 1 2 289.379 1.731 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000603016498 344691087 /nfs/dbraw/zinc/69/10/87/344691087.db2.gz GIYKDMBWZNYAGO-UHFFFAOYSA-N 1 2 293.374 1.842 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000353295277 282362206 /nfs/dbraw/zinc/36/22/06/282362206.db2.gz MHNWBIIAPHYCJB-CQSZACIVSA-N 1 2 293.411 1.638 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000353295277 282362207 /nfs/dbraw/zinc/36/22/07/282362207.db2.gz MHNWBIIAPHYCJB-CQSZACIVSA-N 1 2 293.411 1.638 20 30 CDEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC000609484395 344914708 /nfs/dbraw/zinc/91/47/08/344914708.db2.gz BJARDJDZCDYDBQ-KBPBESRZSA-N 1 2 294.443 1.455 20 30 CDEDLO N#CCCC[NH+]1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000052685207 345301814 /nfs/dbraw/zinc/30/18/14/345301814.db2.gz NRHHPZULPLNMMI-UHFFFAOYSA-N 1 2 292.427 1.310 20 30 CDEDLO N#CCCCN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000052685207 345301816 /nfs/dbraw/zinc/30/18/16/345301816.db2.gz NRHHPZULPLNMMI-UHFFFAOYSA-N 1 2 292.427 1.310 20 30 CDEDLO N#CC1(C(=O)N2CC[NH+](Cc3ccncc3)CC2)CCCC1 ZINC000052752119 345302341 /nfs/dbraw/zinc/30/23/41/345302341.db2.gz FVVVZSCSMUHWDX-UHFFFAOYSA-N 1 2 298.390 1.810 20 30 CDEDLO COC[C@H]1CC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000265789007 362605647 /nfs/dbraw/zinc/60/56/47/362605647.db2.gz MCWQURUCEQCRBJ-LBPRGKRZSA-N 1 2 291.351 1.675 20 30 CDEDLO COC[C@H]1CC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000265789007 362605651 /nfs/dbraw/zinc/60/56/51/362605651.db2.gz MCWQURUCEQCRBJ-LBPRGKRZSA-N 1 2 291.351 1.675 20 30 CDEDLO C=CCOCCCC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623306091 346026105 /nfs/dbraw/zinc/02/61/05/346026105.db2.gz GJYTVHYFMKPFQC-GFCCVEGCSA-N 1 2 263.341 1.297 20 30 CDEDLO COC(=O)CN(CC#N)Cc1cn2cccc(C)c2[nH+]1 ZINC000610512675 346300641 /nfs/dbraw/zinc/30/06/41/346300641.db2.gz XNJLVKDGUOFFTE-UHFFFAOYSA-N 1 2 272.308 1.141 20 30 CDEDLO Cc1cccn2cc(CN3CCOC[C@H]3C#N)[nH+]c12 ZINC000610682092 346356803 /nfs/dbraw/zinc/35/68/03/346356803.db2.gz CVUQRLGEVZGVMO-CYBMUJFWSA-N 1 2 256.309 1.367 20 30 CDEDLO C[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1cn[nH]c1 ZINC000610662092 346336412 /nfs/dbraw/zinc/33/64/12/346336412.db2.gz CXHSQFDIZNYAQQ-UHFFFAOYSA-N 1 2 283.335 1.030 20 30 CDEDLO C[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1cn[nH]c1 ZINC000610662092 346336415 /nfs/dbraw/zinc/33/64/15/346336415.db2.gz CXHSQFDIZNYAQQ-UHFFFAOYSA-N 1 2 283.335 1.030 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CCCOC[C@@H]2C)c(C#N)c1C ZINC000610990803 346566564 /nfs/dbraw/zinc/56/65/64/346566564.db2.gz ODTXRWWEPFRIQL-JTQLQIEISA-N 1 2 291.351 1.817 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CCCOC[C@@H]2C)c(C#N)c1C ZINC000610990803 346566567 /nfs/dbraw/zinc/56/65/67/346566567.db2.gz ODTXRWWEPFRIQL-JTQLQIEISA-N 1 2 291.351 1.817 20 30 CDEDLO CN(C(=O)C[NH+]1CCN(CCC#N)CC1)c1ccccc1 ZINC000611174264 346627686 /nfs/dbraw/zinc/62/76/86/346627686.db2.gz GJWGWNLXCRCPQZ-UHFFFAOYSA-N 1 2 286.379 1.181 20 30 CDEDLO C=C(CC)C[N@@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000611348354 346754148 /nfs/dbraw/zinc/75/41/48/346754148.db2.gz VTBZDVKDKVHKRK-LBPRGKRZSA-N 1 2 255.358 1.995 20 30 CDEDLO C=C(CC)C[N@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000611348354 346754152 /nfs/dbraw/zinc/75/41/52/346754152.db2.gz VTBZDVKDKVHKRK-LBPRGKRZSA-N 1 2 255.358 1.995 20 30 CDEDLO CCn1cc(C[NH2+]Cc2ccc(C#N)cc2F)nn1 ZINC000404448240 347109940 /nfs/dbraw/zinc/10/99/40/347109940.db2.gz PDQGJHYJZVNSHB-UHFFFAOYSA-N 1 2 259.288 1.599 20 30 CDEDLO Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C[C@@H](C)C#N ZINC000066470523 347488862 /nfs/dbraw/zinc/48/88/62/347488862.db2.gz PPIXTRYEWLPYEI-JSGCOSHPSA-N 1 2 262.353 1.826 20 30 CDEDLO Cc1ccccc1OC[C@@H](O)C[N@H+](C)C[C@@H](C)C#N ZINC000066470523 347488865 /nfs/dbraw/zinc/48/88/65/347488865.db2.gz PPIXTRYEWLPYEI-JSGCOSHPSA-N 1 2 262.353 1.826 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(C(=O)N(C)CCCC)CC1 ZINC000619716202 348179256 /nfs/dbraw/zinc/17/92/56/348179256.db2.gz ALGJKYBEQAZGCG-CQSZACIVSA-N 1 2 296.411 1.685 20 30 CDEDLO C=CCNC(=O)C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000029640081 348672349 /nfs/dbraw/zinc/67/23/49/348672349.db2.gz KQRVASZXQHRBKU-UHFFFAOYSA-N 1 2 273.380 1.419 20 30 CDEDLO N#C[C@@]1(F)CCN(Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000615646164 348624502 /nfs/dbraw/zinc/62/45/02/348624502.db2.gz QMPIFDXESJFLLX-JTQLQIEISA-N 1 2 276.237 1.883 20 30 CDEDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602616632 350132579 /nfs/dbraw/zinc/13/25/79/350132579.db2.gz MIVBLWZFNPTNGI-UHFFFAOYSA-N 1 2 298.390 1.786 20 30 CDEDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1Cc1cccc(C#N)n1 ZINC000602616632 350132582 /nfs/dbraw/zinc/13/25/82/350132582.db2.gz MIVBLWZFNPTNGI-UHFFFAOYSA-N 1 2 298.390 1.786 20 30 CDEDLO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602627760 350133476 /nfs/dbraw/zinc/13/34/76/350133476.db2.gz SJNNUAFSQSCVBB-OAHLLOKOSA-N 1 2 272.352 1.444 20 30 CDEDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602627760 350133477 /nfs/dbraw/zinc/13/34/77/350133477.db2.gz SJNNUAFSQSCVBB-OAHLLOKOSA-N 1 2 272.352 1.444 20 30 CDEDLO C[N@@H+]1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1(C)C ZINC000110752010 350308471 /nfs/dbraw/zinc/30/84/71/350308471.db2.gz IWOBLTSCPIFDOY-UHFFFAOYSA-N 1 2 293.392 1.273 20 30 CDEDLO C[N@H+]1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1(C)C ZINC000110752010 350308474 /nfs/dbraw/zinc/30/84/74/350308474.db2.gz IWOBLTSCPIFDOY-UHFFFAOYSA-N 1 2 293.392 1.273 20 30 CDEDLO C#CC[N@@H+](CCNS(=O)(=O)c1ccccc1)C1CC1 ZINC000274160444 192467705 /nfs/dbraw/zinc/46/77/05/192467705.db2.gz MCPUJPAMCLKWBP-UHFFFAOYSA-N 1 2 278.377 1.063 20 30 CDEDLO C#CC[N@H+](CCNS(=O)(=O)c1ccccc1)C1CC1 ZINC000274160444 192467706 /nfs/dbraw/zinc/46/77/06/192467706.db2.gz MCPUJPAMCLKWBP-UHFFFAOYSA-N 1 2 278.377 1.063 20 30 CDEDLO Cc1cnn(C[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)CCO2)c1 ZINC000105891504 186084889 /nfs/dbraw/zinc/08/48/89/186084889.db2.gz KLJDEBOIPDLKGD-KRWDZBQOSA-N 1 2 296.374 1.964 20 30 CDEDLO Cc1cnn(C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CCO2)c1 ZINC000105891504 186084890 /nfs/dbraw/zinc/08/48/90/186084890.db2.gz KLJDEBOIPDLKGD-KRWDZBQOSA-N 1 2 296.374 1.964 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)N(CC#N)Cc1ccccc1 ZINC000264098143 362967265 /nfs/dbraw/zinc/96/72/65/362967265.db2.gz HBZMCYUGMOZWOD-HNNXBMFYSA-N 1 2 273.380 1.733 20 30 CDEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC000454309415 252341495 /nfs/dbraw/zinc/34/14/95/252341495.db2.gz AYVIMVRVFFZJQP-VIFPVBQESA-N 1 2 257.297 1.594 20 30 CDEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NC(=O)NC(C)(C)C ZINC000109813730 358474717 /nfs/dbraw/zinc/47/47/17/358474717.db2.gz KTUIGMOVNUARMT-UHFFFAOYSA-N 1 2 296.415 1.872 20 30 CDEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NC(=O)NC(C)(C)C ZINC000109813730 358474719 /nfs/dbraw/zinc/47/47/19/358474719.db2.gz KTUIGMOVNUARMT-UHFFFAOYSA-N 1 2 296.415 1.872 20 30 CDEDLO C=C(C)CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000156627322 188273084 /nfs/dbraw/zinc/27/30/84/188273084.db2.gz GWICSCRMHZPANI-GFCCVEGCSA-N 1 2 260.341 1.536 20 30 CDEDLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292723629 198389500 /nfs/dbraw/zinc/38/95/00/198389500.db2.gz FPIJUURZQUCQPP-AWEZNQCLSA-N 1 2 283.335 1.638 20 30 CDEDLO Cc1[nH]ncc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292723629 198389501 /nfs/dbraw/zinc/38/95/01/198389501.db2.gz FPIJUURZQUCQPP-AWEZNQCLSA-N 1 2 283.335 1.638 20 30 CDEDLO N#CCC[N@H+](CC1CC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000081060585 356022752 /nfs/dbraw/zinc/02/27/52/356022752.db2.gz ACYUSCOJYXIKPD-NSHDSACASA-N 1 2 289.301 1.775 20 30 CDEDLO N#CCC[N@@H+](CC1CC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000081060585 356022756 /nfs/dbraw/zinc/02/27/56/356022756.db2.gz ACYUSCOJYXIKPD-NSHDSACASA-N 1 2 289.301 1.775 20 30 CDEDLO N#Cc1ccc(CN2CC[C@H]([NH+]3CCOCC3)C2)c(F)c1 ZINC000062980016 283142304 /nfs/dbraw/zinc/14/23/04/283142304.db2.gz XTILDSSLLVFIBH-HNNXBMFYSA-N 1 2 289.354 1.604 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2C[C@H](O)C[C@H]2C(=O)OC)c1 ZINC000187571579 356258168 /nfs/dbraw/zinc/25/81/68/356258168.db2.gz QJDBJRZPQSUEEP-HIFRSBDPSA-N 1 2 291.347 1.360 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2C(=O)OC)c1 ZINC000187571579 356258173 /nfs/dbraw/zinc/25/81/73/356258173.db2.gz QJDBJRZPQSUEEP-HIFRSBDPSA-N 1 2 291.347 1.360 20 30 CDEDLO N#Cc1ccncc1C(=O)Nc1cccc2[nH+]ccn21 ZINC000342379369 363488107 /nfs/dbraw/zinc/48/81/07/363488107.db2.gz KPIXCWORHWPIPR-UHFFFAOYSA-N 1 2 263.260 1.853 20 30 CDEDLO CCOC(=O)[C@@H](C)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344104201 356887963 /nfs/dbraw/zinc/88/79/63/356887963.db2.gz HAORGJPJBWYCIF-CYBMUJFWSA-N 1 2 290.363 1.958 20 30 CDEDLO CCOC(=O)[C@@H](C)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344104201 356887969 /nfs/dbraw/zinc/88/79/69/356887969.db2.gz HAORGJPJBWYCIF-CYBMUJFWSA-N 1 2 290.363 1.958 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCc2n[nH]cc2C1 ZINC000118854696 357039116 /nfs/dbraw/zinc/03/91/16/357039116.db2.gz MIGYPOHJYKPODX-LLVKDONJSA-N 1 2 295.346 1.667 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCc2n[nH]cc2C1 ZINC000118854696 357039119 /nfs/dbraw/zinc/03/91/19/357039119.db2.gz MIGYPOHJYKPODX-LLVKDONJSA-N 1 2 295.346 1.667 20 30 CDEDLO CNC(=O)CCC[N@H+](CCC#N)Cc1ccccn1 ZINC000568164721 357152895 /nfs/dbraw/zinc/15/28/95/357152895.db2.gz YEJDAEQHSGDZOM-UHFFFAOYSA-N 1 2 260.341 1.323 20 30 CDEDLO CNC(=O)CCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000568164721 357152897 /nfs/dbraw/zinc/15/28/97/357152897.db2.gz YEJDAEQHSGDZOM-UHFFFAOYSA-N 1 2 260.341 1.323 20 30 CDEDLO CC1(C)CNC(=O)C[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000282801188 357476903 /nfs/dbraw/zinc/47/69/03/357476903.db2.gz QTPLEEFCXCPZKI-UHFFFAOYSA-N 1 2 273.336 1.147 20 30 CDEDLO CC1(C)CNC(=O)C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000282801188 357476906 /nfs/dbraw/zinc/47/69/06/357476906.db2.gz QTPLEEFCXCPZKI-UHFFFAOYSA-N 1 2 273.336 1.147 20 30 CDEDLO C=CCCn1cc(CNc2cc(CC)[nH+]cn2)nn1 ZINC000631306253 357764122 /nfs/dbraw/zinc/76/41/22/357764122.db2.gz AFAUMDPICIGJAQ-UHFFFAOYSA-N 1 2 258.329 1.241 20 30 CDEDLO N#Cc1ccc(F)c(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000335550286 357923532 /nfs/dbraw/zinc/92/35/32/357923532.db2.gz WRGJZIKJDZGFLX-GFCCVEGCSA-N 1 2 298.321 1.773 20 30 CDEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cc(C#N)cn1C ZINC000335756506 357985912 /nfs/dbraw/zinc/98/59/12/357985912.db2.gz PMYVZXKYGUUNBT-UHFFFAOYSA-N 1 2 297.362 1.702 20 30 CDEDLO CC(C)NC(=O)C[N@H+](C)Cc1ccc(C#N)s1 ZINC000120279670 358039934 /nfs/dbraw/zinc/03/99/34/358039934.db2.gz IEVPXEHRPJQYII-UHFFFAOYSA-N 1 2 251.355 1.576 20 30 CDEDLO CC(C)NC(=O)C[N@@H+](C)Cc1ccc(C#N)s1 ZINC000120279670 358039940 /nfs/dbraw/zinc/03/99/40/358039940.db2.gz IEVPXEHRPJQYII-UHFFFAOYSA-N 1 2 251.355 1.576 20 30 CDEDLO C[C@H](C#N)CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000570386142 363595354 /nfs/dbraw/zinc/59/53/54/363595354.db2.gz DYKBYYXLERAVQC-CYBMUJFWSA-N 1 2 297.362 1.890 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000337465635 358047767 /nfs/dbraw/zinc/04/77/67/358047767.db2.gz RVXJCHOJGQYAQL-CYBMUJFWSA-N 1 2 294.376 1.186 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000337465635 358047771 /nfs/dbraw/zinc/04/77/71/358047771.db2.gz RVXJCHOJGQYAQL-CYBMUJFWSA-N 1 2 294.376 1.186 20 30 CDEDLO COc1cc(C[N@H+](C)CCS(C)(=O)=O)ccc1C#N ZINC000234799164 358447347 /nfs/dbraw/zinc/44/73/47/358447347.db2.gz AXMMCEWGUWRPHL-UHFFFAOYSA-N 1 2 282.365 1.043 20 30 CDEDLO COc1cc(C[N@@H+](C)CCS(C)(=O)=O)ccc1C#N ZINC000234799164 358447351 /nfs/dbraw/zinc/44/73/51/358447351.db2.gz AXMMCEWGUWRPHL-UHFFFAOYSA-N 1 2 282.365 1.043 20 30 CDEDLO CC(F)(F)C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000567696364 358721003 /nfs/dbraw/zinc/72/10/03/358721003.db2.gz ACCNEFHFMBMXKZ-LLVKDONJSA-N 1 2 270.279 1.543 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1ccccc1 ZINC000493717667 366489741 /nfs/dbraw/zinc/48/97/41/366489741.db2.gz GDRUMDNFYNYHOQ-FJVVXJACSA-N 1 2 257.337 1.660 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCN(CC)C(=O)[C@@H]1CC ZINC000495215608 366519938 /nfs/dbraw/zinc/51/99/38/366519938.db2.gz RBDAHGGJJGWHQM-AWEZNQCLSA-N 1 2 293.411 1.130 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCN(CC)C(=O)[C@@H]1CC ZINC000495215608 366519944 /nfs/dbraw/zinc/51/99/44/366519944.db2.gz RBDAHGGJJGWHQM-AWEZNQCLSA-N 1 2 293.411 1.130 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@@H](CCCC)C(=O)OC)nn1 ZINC000603196568 358891659 /nfs/dbraw/zinc/89/16/59/358891659.db2.gz BITBWWDWJFKDNC-ZDUSSCGKSA-N 1 2 278.356 1.295 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000338181150 359096174 /nfs/dbraw/zinc/09/61/74/359096174.db2.gz UCBSJSJPUOVPHC-UHFFFAOYSA-N 1 2 254.293 1.562 20 30 CDEDLO C=CC[N@H+](CC(=O)N1CCOCC1)Cc1cccs1 ZINC000078955451 359062264 /nfs/dbraw/zinc/06/22/64/359062264.db2.gz ADBABPOUQRVHNG-UHFFFAOYSA-N 1 2 280.393 1.595 20 30 CDEDLO C=CC[N@@H+](CC(=O)N1CCOCC1)Cc1cccs1 ZINC000078955451 359062266 /nfs/dbraw/zinc/06/22/66/359062266.db2.gz ADBABPOUQRVHNG-UHFFFAOYSA-N 1 2 280.393 1.595 20 30 CDEDLO C=CC[NH+](CC=C)CC(=O)N(C)c1nccs1 ZINC000264954105 359317740 /nfs/dbraw/zinc/31/77/40/359317740.db2.gz CQFPEILQXGWJON-UHFFFAOYSA-N 1 2 251.355 1.780 20 30 CDEDLO C=CCCOCCNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000270147458 359391150 /nfs/dbraw/zinc/39/11/50/359391150.db2.gz AEJVTZLNUQDGAB-UHFFFAOYSA-N 1 2 291.351 1.346 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+](C)Cc1ncc(Cl)n1C ZINC000272239091 359450787 /nfs/dbraw/zinc/45/07/87/359450787.db2.gz GFCVKXOSFWSWCP-SNVBAGLBSA-N 1 2 257.765 1.832 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+](C)Cc1ncc(Cl)n1C ZINC000272239091 359450792 /nfs/dbraw/zinc/45/07/92/359450792.db2.gz GFCVKXOSFWSWCP-SNVBAGLBSA-N 1 2 257.765 1.832 20 30 CDEDLO C#C[C@H](C)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000274779611 359518605 /nfs/dbraw/zinc/51/86/05/359518605.db2.gz UZJNSHCSADKUJM-ZDUSSCGKSA-N 1 2 272.348 1.270 20 30 CDEDLO C#CC[N@@H+](Cc1nc(N)c2ccccc2n1)C1CC1 ZINC000274164750 359492176 /nfs/dbraw/zinc/49/21/76/359492176.db2.gz MQAWVOZMXFBUQO-UHFFFAOYSA-N 1 2 252.321 1.810 20 30 CDEDLO C#CC[N@H+](Cc1nc(N)c2ccccc2n1)C1CC1 ZINC000274164750 359492179 /nfs/dbraw/zinc/49/21/79/359492179.db2.gz MQAWVOZMXFBUQO-UHFFFAOYSA-N 1 2 252.321 1.810 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000276843545 359550836 /nfs/dbraw/zinc/55/08/36/359550836.db2.gz SLHXONVREKEOMM-LLVKDONJSA-N 1 2 258.321 1.781 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000276843545 359550838 /nfs/dbraw/zinc/55/08/38/359550838.db2.gz SLHXONVREKEOMM-LLVKDONJSA-N 1 2 258.321 1.781 20 30 CDEDLO CCNC(=O)C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000058397928 360127311 /nfs/dbraw/zinc/12/73/11/360127311.db2.gz DLWDWVOWVPMRBC-UHFFFAOYSA-N 1 2 275.352 1.143 20 30 CDEDLO CCNC(=O)C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000058397928 360127315 /nfs/dbraw/zinc/12/73/15/360127315.db2.gz DLWDWVOWVPMRBC-UHFFFAOYSA-N 1 2 275.352 1.143 20 30 CDEDLO COc1c(C)c[nH+]c(CN(C)C(=O)CSCC#N)c1C ZINC000058956745 360216875 /nfs/dbraw/zinc/21/68/75/360216875.db2.gz YEDYJTQWNVYWSL-UHFFFAOYSA-N 1 2 293.392 1.922 20 30 CDEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@H](C(=O)OC)C1 ZINC000093082306 360289655 /nfs/dbraw/zinc/28/96/55/360289655.db2.gz ZLSFMLQCSBJMEH-HNNXBMFYSA-N 1 2 291.347 1.625 20 30 CDEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@H](C(=O)OC)C1 ZINC000093082306 360289659 /nfs/dbraw/zinc/28/96/59/360289659.db2.gz ZLSFMLQCSBJMEH-HNNXBMFYSA-N 1 2 291.347 1.625 20 30 CDEDLO C[C@@H]1CN(C(=O)C[N@H+](CCC#N)CC(C)(C)C)C[C@H](C)O1 ZINC000112673558 360529626 /nfs/dbraw/zinc/52/96/26/360529626.db2.gz FFEZYTBEQBYGMY-OKILXGFUSA-N 1 2 295.427 1.884 20 30 CDEDLO C[C@@H]1CN(C(=O)C[N@@H+](CCC#N)CC(C)(C)C)C[C@H](C)O1 ZINC000112673558 360529628 /nfs/dbraw/zinc/52/96/28/360529628.db2.gz FFEZYTBEQBYGMY-OKILXGFUSA-N 1 2 295.427 1.884 20 30 CDEDLO CC[N@H+](CCC#N)Cc1c(C)nn(CCC(=O)OC)c1C ZINC000127627678 360645988 /nfs/dbraw/zinc/64/59/88/360645988.db2.gz VPPBRZYEWNYXTK-UHFFFAOYSA-N 1 2 292.383 1.799 20 30 CDEDLO CC[N@@H+](CCC#N)Cc1c(C)nn(CCC(=O)OC)c1C ZINC000127627678 360645992 /nfs/dbraw/zinc/64/59/92/360645992.db2.gz VPPBRZYEWNYXTK-UHFFFAOYSA-N 1 2 292.383 1.799 20 30 CDEDLO CCn1nccc1C[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000429707893 360870601 /nfs/dbraw/zinc/87/06/01/360870601.db2.gz KASYLANKQMKFTI-OAHLLOKOSA-N 1 2 291.399 1.389 20 30 CDEDLO CCn1nccc1C[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000429707893 360870604 /nfs/dbraw/zinc/87/06/04/360870604.db2.gz KASYLANKQMKFTI-OAHLLOKOSA-N 1 2 291.399 1.389 20 30 CDEDLO N#Cc1cccc([C@H]2CN(Cc3[nH]cc[nH+]3)CCO2)c1 ZINC000367128901 360944915 /nfs/dbraw/zinc/94/49/15/360944915.db2.gz JAZVURLSSOBBHQ-CQSZACIVSA-N 1 2 268.320 1.855 20 30 CDEDLO C=C[C@H](CC(=O)NC[C@@H]1C[NH+]2CCN1CC2)c1ccccc1 ZINC000179454753 189195724 /nfs/dbraw/zinc/19/57/24/189195724.db2.gz IAWCBFPKPKTRBL-NVXWUHKLSA-N 1 2 299.418 1.462 20 30 CDEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000349921737 360963004 /nfs/dbraw/zinc/96/30/04/360963004.db2.gz ORDRPXSJPHRPNE-ZDUSSCGKSA-N 1 2 279.303 1.280 20 30 CDEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000349921737 360963010 /nfs/dbraw/zinc/96/30/10/360963010.db2.gz ORDRPXSJPHRPNE-ZDUSSCGKSA-N 1 2 279.303 1.280 20 30 CDEDLO C[N@H+](CCOCC1CC1)CC(=O)Nc1sccc1C#N ZINC000130848606 361010586 /nfs/dbraw/zinc/01/05/86/361010586.db2.gz YDUDEIOHGMULHS-UHFFFAOYSA-N 1 2 293.392 1.917 20 30 CDEDLO C[N@@H+](CCOCC1CC1)CC(=O)Nc1sccc1C#N ZINC000130848606 361010592 /nfs/dbraw/zinc/01/05/92/361010592.db2.gz YDUDEIOHGMULHS-UHFFFAOYSA-N 1 2 293.392 1.917 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433304590 361231247 /nfs/dbraw/zinc/23/12/47/361231247.db2.gz NIESYWIIKUATKY-CQSZACIVSA-N 1 2 264.373 1.522 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433304590 361231252 /nfs/dbraw/zinc/23/12/52/361231252.db2.gz NIESYWIIKUATKY-CQSZACIVSA-N 1 2 264.373 1.522 20 30 CDEDLO C[N@H+](CCN1CCOC(C)(C)C1)CC1(C#N)CC1 ZINC000434703913 361350272 /nfs/dbraw/zinc/35/02/72/361350272.db2.gz WGYUCQDTXDAYJQ-UHFFFAOYSA-N 1 2 251.374 1.333 20 30 CDEDLO C[N@@H+](CCN1CCOC(C)(C)C1)CC1(C#N)CC1 ZINC000434703913 361350280 /nfs/dbraw/zinc/35/02/80/361350280.db2.gz WGYUCQDTXDAYJQ-UHFFFAOYSA-N 1 2 251.374 1.333 20 30 CDEDLO CC(C)CC[N@H+](CCC#N)C[C@H]1CCS(=O)(=O)C1 ZINC000434542548 361334519 /nfs/dbraw/zinc/33/45/19/361334519.db2.gz ARGHJYKWELCRIK-CYBMUJFWSA-N 1 2 272.414 1.683 20 30 CDEDLO CC(C)CC[N@@H+](CCC#N)C[C@H]1CCS(=O)(=O)C1 ZINC000434542548 361334526 /nfs/dbraw/zinc/33/45/26/361334526.db2.gz ARGHJYKWELCRIK-CYBMUJFWSA-N 1 2 272.414 1.683 20 30 CDEDLO O=C(N[C@H]1CCCOCC1)C1([NH+]2CCOCC2)CCC1 ZINC000329331041 361480714 /nfs/dbraw/zinc/48/07/14/361480714.db2.gz MEACVOZDJMZNFV-ZDUSSCGKSA-N 1 2 282.384 1.767 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCCc1[nH]cc[nH+]1 ZINC000437863782 361693234 /nfs/dbraw/zinc/69/32/34/361693234.db2.gz HTTUZXAWBPXUQC-ZDUSSCGKSA-N 1 2 251.330 1.297 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1cccc(C)n1 ZINC000437910382 361696665 /nfs/dbraw/zinc/69/66/65/361696665.db2.gz PDQIVMBJNBGFJC-CYBMUJFWSA-N 1 2 288.395 1.830 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1cccc(C)n1 ZINC000437910382 361696672 /nfs/dbraw/zinc/69/66/72/361696672.db2.gz PDQIVMBJNBGFJC-CYBMUJFWSA-N 1 2 288.395 1.830 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)nc1 ZINC000581437042 363990341 /nfs/dbraw/zinc/99/03/41/363990341.db2.gz XHSXXWWQJHENOP-NSHDSACASA-N 1 2 271.242 1.452 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)nc1 ZINC000581437042 363990346 /nfs/dbraw/zinc/99/03/46/363990346.db2.gz XHSXXWWQJHENOP-NSHDSACASA-N 1 2 271.242 1.452 20 30 CDEDLO N#CC[N@@H+](C[C@@H](O)COCc1ccco1)C1CCCC1 ZINC000304329519 370722256 /nfs/dbraw/zinc/72/22/56/370722256.db2.gz UXEZSMSATYQNFK-CQSZACIVSA-N 1 2 278.352 1.925 20 30 CDEDLO N#CC[N@H+](C[C@@H](O)COCc1ccco1)C1CCCC1 ZINC000304329519 370722262 /nfs/dbraw/zinc/72/22/62/370722262.db2.gz UXEZSMSATYQNFK-CQSZACIVSA-N 1 2 278.352 1.925 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCc2cccnc2)nn1 ZINC000641030389 364859783 /nfs/dbraw/zinc/85/97/83/364859783.db2.gz XNCCNFOVEQEYTO-UHFFFAOYSA-N 1 2 255.325 1.029 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCCCCOC)nn1 ZINC000641056986 364905379 /nfs/dbraw/zinc/90/53/79/364905379.db2.gz AUPKAHNNRXTGGL-UHFFFAOYSA-N 1 2 250.346 1.208 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cn1cc(C)n(-c2cc(C)on2)c1=O ZINC000491297769 364939440 /nfs/dbraw/zinc/93/94/40/364939440.db2.gz RZGYGZDYZFAMCX-SNVBAGLBSA-N 1 2 274.324 1.155 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cn1cc(C)n(-c2cc(C)on2)c1=O ZINC000491297769 364939443 /nfs/dbraw/zinc/93/94/43/364939443.db2.gz RZGYGZDYZFAMCX-SNVBAGLBSA-N 1 2 274.324 1.155 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cccc(N(C)C)c2)nn1 ZINC000641073515 364956233 /nfs/dbraw/zinc/95/62/33/364956233.db2.gz WENYVAQGKJXFPN-UHFFFAOYSA-N 1 2 283.379 1.505 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCCCOC(C)(C)C)nn1 ZINC000641134218 365091872 /nfs/dbraw/zinc/09/18/72/365091872.db2.gz JBTDYSLYUZFYFF-UHFFFAOYSA-N 1 2 278.400 1.986 20 30 CDEDLO N#CCCCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000170887586 365153407 /nfs/dbraw/zinc/15/34/07/365153407.db2.gz KKQREYUIWCUPJY-UHFFFAOYSA-N 1 2 287.367 1.607 20 30 CDEDLO C#CCCC[N@H+]1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000275454465 193044211 /nfs/dbraw/zinc/04/42/11/193044211.db2.gz LSHOZNXVERJZEI-ZDUSSCGKSA-N 1 2 261.321 1.967 20 30 CDEDLO C#CCCC[N@@H+]1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000275454465 193044213 /nfs/dbraw/zinc/04/42/13/193044213.db2.gz LSHOZNXVERJZEI-ZDUSSCGKSA-N 1 2 261.321 1.967 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121629584 367069587 /nfs/dbraw/zinc/06/95/87/367069587.db2.gz BWTIAFYDAFTGIO-AWEZNQCLSA-N 1 2 280.274 1.784 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121629584 367069593 /nfs/dbraw/zinc/06/95/93/367069593.db2.gz BWTIAFYDAFTGIO-AWEZNQCLSA-N 1 2 280.274 1.784 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1cnn(C)c1 ZINC000126925787 368344601 /nfs/dbraw/zinc/34/46/01/368344601.db2.gz KGZKKUJXKDPHJD-ZDUSSCGKSA-N 1 2 276.384 1.441 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1cnn(C)c1 ZINC000126925787 368344605 /nfs/dbraw/zinc/34/46/05/368344605.db2.gz KGZKKUJXKDPHJD-ZDUSSCGKSA-N 1 2 276.384 1.441 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000360959997 368571497 /nfs/dbraw/zinc/57/14/97/368571497.db2.gz HEIYLSBWPPNYPX-HUUCEWRRSA-N 1 2 288.395 1.907 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000360959997 368571500 /nfs/dbraw/zinc/57/15/00/368571500.db2.gz HEIYLSBWPPNYPX-HUUCEWRRSA-N 1 2 288.395 1.907 20 30 CDEDLO CC(C)CCO[C@@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000574329464 335011072 /nfs/dbraw/zinc/01/10/72/335011072.db2.gz IBTXYKIDSDBFBF-JSGCOSHPSA-N 1 2 269.389 1.398 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nnnn1C ZINC000276218741 193246960 /nfs/dbraw/zinc/24/69/60/193246960.db2.gz KYTOXUHSFLRSHH-VHSXEESVSA-N 1 2 256.313 1.494 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(C#N)ccc1Cl ZINC000565050482 370340470 /nfs/dbraw/zinc/34/04/70/370340470.db2.gz DBQXRMHJPQCCHZ-CQSZACIVSA-N 1 2 290.754 1.785 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000567812349 371154015 /nfs/dbraw/zinc/15/40/15/371154015.db2.gz SUCYCRXKUMKJQV-OAHLLOKOSA-N 1 2 280.412 1.912 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000567812349 371154019 /nfs/dbraw/zinc/15/40/19/371154019.db2.gz SUCYCRXKUMKJQV-OAHLLOKOSA-N 1 2 280.412 1.912 20 30 CDEDLO Cc1noc([C@H]2C[C@H](O)C[N@@H+]2Cc2ccc(C#N)cc2)n1 ZINC000331854311 204234171 /nfs/dbraw/zinc/23/41/71/204234171.db2.gz RXKFFUKJVWDLRL-UONOGXRCSA-N 1 2 284.319 1.558 20 30 CDEDLO Cc1noc([C@H]2C[C@H](O)C[N@H+]2Cc2ccc(C#N)cc2)n1 ZINC000331854311 204234175 /nfs/dbraw/zinc/23/41/75/204234175.db2.gz RXKFFUKJVWDLRL-UONOGXRCSA-N 1 2 284.319 1.558 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(-c2cnco2)cc1 ZINC000573492979 371560110 /nfs/dbraw/zinc/56/01/10/371560110.db2.gz AOAJMQITPCVLQG-MRXNPFEDSA-N 1 2 298.346 1.915 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000170908689 372140113 /nfs/dbraw/zinc/14/01/13/372140113.db2.gz MGTDFAMXKFDQJQ-CQSZACIVSA-N 1 2 293.411 1.154 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000170908689 372140117 /nfs/dbraw/zinc/14/01/17/372140117.db2.gz MGTDFAMXKFDQJQ-CQSZACIVSA-N 1 2 293.411 1.154 20 30 CDEDLO C=CCSCCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000171207068 372151060 /nfs/dbraw/zinc/15/10/60/372151060.db2.gz PPDXBEZTABONOT-UHFFFAOYSA-N 1 2 275.377 1.912 20 30 CDEDLO Cc1cnccc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000579553646 372592705 /nfs/dbraw/zinc/59/27/05/372592705.db2.gz BLXPUKNKVZVWCH-UHFFFAOYSA-N 1 2 288.395 1.438 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000174608886 372608352 /nfs/dbraw/zinc/60/83/52/372608352.db2.gz GYNQEYSPBPITHZ-UHFFFAOYSA-N 1 2 258.321 1.173 20 30 CDEDLO CN(C)c1[nH+]cccc1NC(=O)c1cc(C#N)c[nH]1 ZINC000177752117 372891301 /nfs/dbraw/zinc/89/13/01/372891301.db2.gz YPHLBXIOWLCUHI-UHFFFAOYSA-N 1 2 255.281 1.600 20 30 CDEDLO C#CC[N@@H+](C)CCCNc1nc([C@H](C)OC)ns1 ZINC000392935704 373417875 /nfs/dbraw/zinc/41/78/75/373417875.db2.gz NIKLUBKZXPMCPH-JTQLQIEISA-N 1 2 268.386 1.034 20 30 CDEDLO C#CC[N@H+](C)CCCNc1nc([C@H](C)OC)ns1 ZINC000392935704 373417879 /nfs/dbraw/zinc/41/78/79/373417879.db2.gz NIKLUBKZXPMCPH-JTQLQIEISA-N 1 2 268.386 1.034 20 30 CDEDLO N#Cc1ncn(Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000191739330 373530313 /nfs/dbraw/zinc/53/03/13/373530313.db2.gz WFYAMPOAQLLPIG-UHFFFAOYSA-N 1 2 250.265 1.384 20 30 CDEDLO Cc1cc(F)cc(NC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000584406591 373725426 /nfs/dbraw/zinc/72/54/26/373725426.db2.gz SXISYANWCWLYEA-AWEZNQCLSA-N 1 2 265.332 1.752 20 30 CDEDLO Cc1cc(F)cc(NC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000584406591 373725432 /nfs/dbraw/zinc/72/54/32/373725432.db2.gz SXISYANWCWLYEA-AWEZNQCLSA-N 1 2 265.332 1.752 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000296556344 373818027 /nfs/dbraw/zinc/81/80/27/373818027.db2.gz CFFXGPNCPGVJKD-CYBMUJFWSA-N 1 2 291.326 1.970 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000296556344 373818034 /nfs/dbraw/zinc/81/80/34/373818034.db2.gz CFFXGPNCPGVJKD-CYBMUJFWSA-N 1 2 291.326 1.970 20 30 CDEDLO N#Cc1cccnc1N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000302750144 373975512 /nfs/dbraw/zinc/97/55/12/373975512.db2.gz GTEWOYLOCFWYIP-ZDUSSCGKSA-N 1 2 283.335 1.626 20 30 CDEDLO N#Cc1cc(NCc2ccc(-n3cc[nH+]c3)nc2)ccn1 ZINC000367718937 374141304 /nfs/dbraw/zinc/14/13/04/374141304.db2.gz FLIPESMTQVVYRK-UHFFFAOYSA-N 1 2 276.303 1.568 20 30 CDEDLO COCC[N@H+](Cc1cccc(C(=O)OC)c1C#N)C1CC1 ZINC000547448888 374262945 /nfs/dbraw/zinc/26/29/45/374262945.db2.gz GYKRMMLTLJSFCZ-UHFFFAOYSA-N 1 2 288.347 1.956 20 30 CDEDLO COCC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)C1CC1 ZINC000547448888 374262954 /nfs/dbraw/zinc/26/29/54/374262954.db2.gz GYKRMMLTLJSFCZ-UHFFFAOYSA-N 1 2 288.347 1.956 20 30 CDEDLO C=C(C)COCCNc1cc(NCCCC)[nH+]c(N)n1 ZINC000342660147 374413095 /nfs/dbraw/zinc/41/30/95/374413095.db2.gz HPIXGLAZHQHIPW-UHFFFAOYSA-N 1 2 279.388 1.528 20 30 CDEDLO C=C(C)COCCNc1cc(NCCCC)nc(N)[nH+]1 ZINC000342660147 374413101 /nfs/dbraw/zinc/41/31/01/374413101.db2.gz HPIXGLAZHQHIPW-UHFFFAOYSA-N 1 2 279.388 1.528 20 30 CDEDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000334150047 206093461 /nfs/dbraw/zinc/09/34/61/206093461.db2.gz KDGHSRIUYNUTED-CYBMUJFWSA-N 1 2 276.315 1.201 20 30 CDEDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000334150047 206093464 /nfs/dbraw/zinc/09/34/64/206093464.db2.gz KDGHSRIUYNUTED-CYBMUJFWSA-N 1 2 276.315 1.201 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377484930 374606087 /nfs/dbraw/zinc/60/60/87/374606087.db2.gz MWUJPTIQSZYVQT-ZDUSSCGKSA-N 1 2 283.335 1.762 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377484930 374606094 /nfs/dbraw/zinc/60/60/94/374606094.db2.gz MWUJPTIQSZYVQT-ZDUSSCGKSA-N 1 2 283.335 1.762 20 30 CDEDLO CC(C)C[N@H+](CC(N)=O)CC(=O)Nc1sccc1C#N ZINC000044898659 375026203 /nfs/dbraw/zinc/02/62/03/375026203.db2.gz YMMOSHJICLTYGD-UHFFFAOYSA-N 1 2 294.380 1.002 20 30 CDEDLO CC(C)C[N@@H+](CC(N)=O)CC(=O)Nc1sccc1C#N ZINC000044898659 375026214 /nfs/dbraw/zinc/02/62/14/375026214.db2.gz YMMOSHJICLTYGD-UHFFFAOYSA-N 1 2 294.380 1.002 20 30 CDEDLO C=C(C)[C@H](CC(=O)N1CCc2[nH]c[nH+]c2C1)OCC ZINC000627370407 375227540 /nfs/dbraw/zinc/22/75/40/375227540.db2.gz YJQMGXHIEHXZRJ-ZDUSSCGKSA-N 1 2 263.341 1.666 20 30 CDEDLO C=C(C)[C@H](CC(=O)N1CCc2[nH+]c[nH]c2C1)OCC ZINC000627370407 375227549 /nfs/dbraw/zinc/22/75/49/375227549.db2.gz YJQMGXHIEHXZRJ-ZDUSSCGKSA-N 1 2 263.341 1.666 20 30 CDEDLO N#Cc1c(F)cc(CNC(=O)C=Cc2c[nH]c[nH+]2)cc1F ZINC000493227894 375428406 /nfs/dbraw/zinc/42/84/06/375428406.db2.gz SWNCMNOSHKYIPG-OWOJBTEDSA-N 1 2 288.257 1.889 20 30 CDEDLO C[C@@H](O)[C@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000162754514 375506176 /nfs/dbraw/zinc/50/61/76/375506176.db2.gz YGZIRODCQOGIIT-KOLCDFICSA-N 1 2 279.365 1.261 20 30 CDEDLO C[C@@H](O)[C@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000162754514 375506183 /nfs/dbraw/zinc/50/61/83/375506183.db2.gz YGZIRODCQOGIIT-KOLCDFICSA-N 1 2 279.365 1.261 20 30 CDEDLO CCC(CC)n1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)n1 ZINC000564091004 375725574 /nfs/dbraw/zinc/72/55/74/375725574.db2.gz YASGJOAVZGPIKU-HNNXBMFYSA-N 1 2 291.399 1.818 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cncc(OC)c2)C1=O ZINC000289479151 197367068 /nfs/dbraw/zinc/36/70/68/197367068.db2.gz RNJBXCQOQAAJNS-CQSZACIVSA-N 1 2 275.352 1.309 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cncc(OC)c2)C1=O ZINC000289479151 197367070 /nfs/dbraw/zinc/36/70/70/197367070.db2.gz RNJBXCQOQAAJNS-CQSZACIVSA-N 1 2 275.352 1.309 20 30 CDEDLO CC(C)(C)[N@H+](CC(N)=O)CC(=O)Nc1cccc(C#N)c1 ZINC000133964216 375871805 /nfs/dbraw/zinc/87/18/05/375871805.db2.gz AIPVEJQVOYLHJE-UHFFFAOYSA-N 1 2 288.351 1.083 20 30 CDEDLO CC(C)(C)[N@@H+](CC(N)=O)CC(=O)Nc1cccc(C#N)c1 ZINC000133964216 375871809 /nfs/dbraw/zinc/87/18/09/375871809.db2.gz AIPVEJQVOYLHJE-UHFFFAOYSA-N 1 2 288.351 1.083 20 30 CDEDLO C[C@@H]1C[C@@H]1CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000328780060 375967854 /nfs/dbraw/zinc/96/78/54/375967854.db2.gz FCGDTFZNSZSNRF-IJLUTSLNSA-N 1 2 262.357 1.779 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)COc1ccsc1 ZINC000328659986 375912408 /nfs/dbraw/zinc/91/24/08/375912408.db2.gz UNYVMKFDTKGWOX-NSHDSACASA-N 1 2 284.381 1.804 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)COc1ccsc1 ZINC000328659986 375912412 /nfs/dbraw/zinc/91/24/12/375912412.db2.gz UNYVMKFDTKGWOX-NSHDSACASA-N 1 2 284.381 1.804 20 30 CDEDLO CC1=CCCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000328598762 375919431 /nfs/dbraw/zinc/91/94/31/375919431.db2.gz BKMHCCVSPIKSHT-GFCCVEGCSA-N 1 2 260.341 1.764 20 30 CDEDLO CC1=CCCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000328598762 375919437 /nfs/dbraw/zinc/91/94/37/375919437.db2.gz BKMHCCVSPIKSHT-GFCCVEGCSA-N 1 2 260.341 1.764 20 30 CDEDLO C[C@@H](C(=O)Nc1ncccn1)N1CCn2cc[nH+]c2C1 ZINC000328865410 375991886 /nfs/dbraw/zinc/99/18/86/375991886.db2.gz BSDFPHKQOVNESV-JTQLQIEISA-N 1 2 272.312 1.165 20 30 CDEDLO C=C1CC(C)(C(=O)N2CC[NH+](CCOC)CC2)C1 ZINC000631270321 376054426 /nfs/dbraw/zinc/05/44/26/376054426.db2.gz PSBQHXAEECSJKV-UHFFFAOYSA-N 1 2 252.358 1.133 20 30 CDEDLO Cc1cc(C)cc(NC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000572274574 377833894 /nfs/dbraw/zinc/83/38/94/377833894.db2.gz HFCFOWLPWRBWLL-OAHLLOKOSA-N 1 2 261.369 1.922 20 30 CDEDLO Cc1cc(C)cc(NC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000572274574 377833896 /nfs/dbraw/zinc/83/38/96/377833896.db2.gz HFCFOWLPWRBWLL-OAHLLOKOSA-N 1 2 261.369 1.922 20 30 CDEDLO C=C(C)CS(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000280507437 377956486 /nfs/dbraw/zinc/95/64/86/377956486.db2.gz DHFYOXUZZAMOER-UHFFFAOYSA-N 1 2 265.338 1.330 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000282770838 378071362 /nfs/dbraw/zinc/07/13/62/378071362.db2.gz LSZPXIPJVDTEOC-FSHFUFFASA-N 1 2 261.325 1.520 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CC)CC1 ZINC000283299920 378104514 /nfs/dbraw/zinc/10/45/14/378104514.db2.gz XIUIGYXBWHRKRB-UHFFFAOYSA-N 1 2 273.384 1.321 20 30 CDEDLO CC#CCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000135015087 378162582 /nfs/dbraw/zinc/16/25/82/378162582.db2.gz WBYYLEDJNAUYTM-UHFFFAOYSA-N 1 2 272.352 1.504 20 30 CDEDLO C=CCCS(=O)(=O)NCc1c[nH+]ccc1OC ZINC000292976194 378530596 /nfs/dbraw/zinc/53/05/96/378530596.db2.gz LSEMCTGMURZDQY-UHFFFAOYSA-N 1 2 256.327 1.086 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](c2nccn2C)C2CC2)C1=O ZINC000639132052 378766936 /nfs/dbraw/zinc/76/69/36/378766936.db2.gz DDDGUSFQKXEVMH-KBPBESRZSA-N 1 2 288.395 1.590 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](c2nccn2C)C2CC2)C1=O ZINC000639132052 378766940 /nfs/dbraw/zinc/76/69/40/378766940.db2.gz DDDGUSFQKXEVMH-KBPBESRZSA-N 1 2 288.395 1.590 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000343349600 378804203 /nfs/dbraw/zinc/80/42/03/378804203.db2.gz AKTZZTSFCLUELZ-GOEBONIOSA-N 1 2 296.411 1.195 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000343349600 378804209 /nfs/dbraw/zinc/80/42/09/378804209.db2.gz AKTZZTSFCLUELZ-GOEBONIOSA-N 1 2 296.411 1.195 20 30 CDEDLO N#C[C@H](CCc1ccccc1)C(=O)NCc1[nH]cc[nH+]1 ZINC000343488613 378891822 /nfs/dbraw/zinc/89/18/22/378891822.db2.gz YUUBNADQJCBVAH-ZDUSSCGKSA-N 1 2 268.320 1.798 20 30 CDEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CO)C2)c(C#N)c1C ZINC000266961853 378939675 /nfs/dbraw/zinc/93/96/75/378939675.db2.gz WTSQLKWWBZBNEU-ZYHUDNBSSA-N 1 2 291.351 1.409 20 30 CDEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CO)C2)c(C#N)c1C ZINC000266961853 378939679 /nfs/dbraw/zinc/93/96/79/378939679.db2.gz WTSQLKWWBZBNEU-ZYHUDNBSSA-N 1 2 291.351 1.409 20 30 CDEDLO CCN1CC[NH+]([C@@H](C)CNc2ccc(C#N)cn2)CC1 ZINC000059389408 379670254 /nfs/dbraw/zinc/67/02/54/379670254.db2.gz NIPQRDTUNBIAGK-ZDUSSCGKSA-N 1 2 273.384 1.391 20 30 CDEDLO Cn1c(C#N)ccc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000450109391 251136854 /nfs/dbraw/zinc/13/68/54/251136854.db2.gz BIOIJPAWGAERNN-CQSZACIVSA-N 1 2 296.330 1.585 20 30 CDEDLO CN(CC[NH+]1CCOCC1)C(=O)/C=C\c1ccc(C#N)cc1 ZINC000491437810 253082002 /nfs/dbraw/zinc/08/20/02/253082002.db2.gz WGVARJUTWOTCDO-SREVYHEPSA-N 1 2 299.374 1.362 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000192236365 533111025 /nfs/dbraw/zinc/11/10/25/533111025.db2.gz SCBFLKZYGARHFG-VIFPVBQESA-N 1 2 251.717 1.627 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000192236365 533111030 /nfs/dbraw/zinc/11/10/30/533111030.db2.gz SCBFLKZYGARHFG-VIFPVBQESA-N 1 2 251.717 1.627 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccc(N(C)C(C)C)nc1 ZINC000191374199 533119850 /nfs/dbraw/zinc/11/98/50/533119850.db2.gz KYIAATYCHAQDNV-UHFFFAOYSA-N 1 2 255.365 1.995 20 30 CDEDLO C=CCN1CC[C@H]([NH2+][C@H](COC)c2ccc(CC)o2)C1=O ZINC000281478335 195256715 /nfs/dbraw/zinc/25/67/15/195256715.db2.gz WLKJUZQVXKDXFW-UONOGXRCSA-N 1 2 292.379 1.906 20 30 CDEDLO C=CCN(CC(=O)OCC)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000363778624 390489457 /nfs/dbraw/zinc/48/94/57/390489457.db2.gz KTPLGEQTQDAFOW-LBPRGKRZSA-N 1 2 291.351 1.023 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CC3CCCC3)n2C)CC1 ZINC000283551605 195876293 /nfs/dbraw/zinc/87/62/93/195876293.db2.gz PWGPTKZYPPGNTM-UHFFFAOYSA-N 1 2 287.411 1.303 20 30 CDEDLO CN(C)c1ccc(CNC(=O)c2ccc(C#N)[nH]2)c[nH+]1 ZINC000337367747 390810977 /nfs/dbraw/zinc/81/09/77/390810977.db2.gz MPTYAQPMEOPYDW-UHFFFAOYSA-N 1 2 269.308 1.277 20 30 CDEDLO C#CCC(C)(C)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376172073 390840341 /nfs/dbraw/zinc/84/03/41/390840341.db2.gz LTNFUQZWXPBVRI-UONOGXRCSA-N 1 2 278.396 1.358 20 30 CDEDLO C[C@@H](O[NH+]=C(N)CCO)c1ncc(C(C)(C)C)o1 ZINC000136068171 390941036 /nfs/dbraw/zinc/94/10/36/390941036.db2.gz PSWRMZVNGQADFG-MRVPVSSYSA-N 1 2 255.318 1.704 20 30 CDEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)C[C@@H](CO)O1 ZINC000163113335 390942718 /nfs/dbraw/zinc/94/27/18/390942718.db2.gz YSVHBOHTLSGGII-ZDUSSCGKSA-N 1 2 278.327 1.669 20 30 CDEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H](CO)O1 ZINC000163113335 390942719 /nfs/dbraw/zinc/94/27/19/390942719.db2.gz YSVHBOHTLSGGII-ZDUSSCGKSA-N 1 2 278.327 1.669 20 30 CDEDLO C[C@@H](NC(=O)N1CCn2c[nH+]cc2C1)c1cnn(C)c1 ZINC000329553407 391012816 /nfs/dbraw/zinc/01/28/16/391012816.db2.gz BAQSAOGSFJJQJA-SNVBAGLBSA-N 1 2 274.328 1.107 20 30 CDEDLO CN(C[C@@H]1CCCOC1)C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329611541 391031499 /nfs/dbraw/zinc/03/14/99/391031499.db2.gz OCRMAEGEBXNWHL-NWDGAFQWSA-N 1 2 292.383 1.539 20 30 CDEDLO CN(C[C@@H]1CCCOC1)C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329611541 391031501 /nfs/dbraw/zinc/03/15/01/391031501.db2.gz OCRMAEGEBXNWHL-NWDGAFQWSA-N 1 2 292.383 1.539 20 30 CDEDLO CN(C(=O)Nc1ccn2cc[nH+]c2c1)C1CC(O)C1 ZINC000329537361 391008562 /nfs/dbraw/zinc/00/85/62/391008562.db2.gz UXMXCDZVJSTNET-UHFFFAOYSA-N 1 2 260.297 1.335 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000648275309 391072779 /nfs/dbraw/zinc/07/27/79/391072779.db2.gz ZFDXEKDNJPMAFV-UHFFFAOYSA-N 1 2 290.411 1.667 20 30 CDEDLO N#CC1(F)CC[NH+](Cc2cn3cccnc3n2)CC1 ZINC000352464970 391148405 /nfs/dbraw/zinc/14/84/05/391148405.db2.gz ZRNTWRGAKXVGJE-UHFFFAOYSA-N 1 2 259.288 1.557 20 30 CDEDLO C#CCN(CC#N)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000374114775 391149030 /nfs/dbraw/zinc/14/90/30/391149030.db2.gz RLXJEOIVNRXPMQ-GFCCVEGCSA-N 1 2 284.363 1.623 20 30 CDEDLO C#CCN(CC#N)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000374114775 391149032 /nfs/dbraw/zinc/14/90/32/391149032.db2.gz RLXJEOIVNRXPMQ-GFCCVEGCSA-N 1 2 284.363 1.623 20 30 CDEDLO N#CCC[N@@H+](CC(=O)NCc1ccccc1)CC1CC1 ZINC000174689766 391125395 /nfs/dbraw/zinc/12/53/95/391125395.db2.gz NMULZVOJDMAYIG-UHFFFAOYSA-N 1 2 271.364 1.928 20 30 CDEDLO N#CCC[N@H+](CC(=O)NCc1ccccc1)CC1CC1 ZINC000174689766 391125400 /nfs/dbraw/zinc/12/54/00/391125400.db2.gz NMULZVOJDMAYIG-UHFFFAOYSA-N 1 2 271.364 1.928 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCO[C@@H](C2CCC2)C1)C1CC1 ZINC000334041231 391126740 /nfs/dbraw/zinc/12/67/40/391126740.db2.gz OLLWTMYNLZITCP-ZBFHGGJFSA-N 1 2 291.395 1.296 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCO[C@@H](C2CCC2)C1)C1CC1 ZINC000334041231 391126745 /nfs/dbraw/zinc/12/67/45/391126745.db2.gz OLLWTMYNLZITCP-ZBFHGGJFSA-N 1 2 291.395 1.296 20 30 CDEDLO C#C[C@H](NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)C(C)C ZINC000374105589 391146893 /nfs/dbraw/zinc/14/68/93/391146893.db2.gz HMVBPICNZDROKK-LSDHHAIUSA-N 1 2 278.396 1.261 20 30 CDEDLO C#C[C@H](NC(=O)[C@H]1COCC[N@H+]1CC1CCC1)C(C)C ZINC000374105589 391146897 /nfs/dbraw/zinc/14/68/97/391146897.db2.gz HMVBPICNZDROKK-LSDHHAIUSA-N 1 2 278.396 1.261 20 30 CDEDLO Cc1nnc([C@@H]2CCC[N@H+](C[C@H](C#N)CCC#N)C2)[nH]1 ZINC000268471699 391217203 /nfs/dbraw/zinc/21/72/03/391217203.db2.gz MNONKIIGJACXBC-QWHCGFSZSA-N 1 2 272.356 1.736 20 30 CDEDLO Cc1nnc([C@@H]2CCC[N@@H+](C[C@H](C#N)CCC#N)C2)[nH]1 ZINC000268471699 391217204 /nfs/dbraw/zinc/21/72/04/391217204.db2.gz MNONKIIGJACXBC-QWHCGFSZSA-N 1 2 272.356 1.736 20 30 CDEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](C[C@H](C#N)CCC#N)C2)n1 ZINC000268471699 391217206 /nfs/dbraw/zinc/21/72/06/391217206.db2.gz MNONKIIGJACXBC-QWHCGFSZSA-N 1 2 272.356 1.736 20 30 CDEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](C[C@H](C#N)CCC#N)C2)n1 ZINC000268471699 391217207 /nfs/dbraw/zinc/21/72/07/391217207.db2.gz MNONKIIGJACXBC-QWHCGFSZSA-N 1 2 272.356 1.736 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366175331 391227990 /nfs/dbraw/zinc/22/79/90/391227990.db2.gz YVQXEKXWTVKHQO-TZMCWYRMSA-N 1 2 281.400 1.504 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366175331 391227993 /nfs/dbraw/zinc/22/79/93/391227993.db2.gz YVQXEKXWTVKHQO-TZMCWYRMSA-N 1 2 281.400 1.504 20 30 CDEDLO Cc1nnc(CO[NH+]=C(N)c2ccc(F)c(F)c2)n1C ZINC000181882053 391228051 /nfs/dbraw/zinc/22/80/51/391228051.db2.gz XWHCSDJCLMOLJH-UHFFFAOYSA-N 1 2 281.266 1.239 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+](CCC(C)(C)C#N)C[C@@H](C)O1 ZINC000338357092 391200021 /nfs/dbraw/zinc/20/00/21/391200021.db2.gz MRJHLRUGVHLKHP-MNOVXSKESA-N 1 2 254.330 1.189 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+](CCC(C)(C)C#N)C[C@@H](C)O1 ZINC000338357092 391200026 /nfs/dbraw/zinc/20/00/26/391200026.db2.gz MRJHLRUGVHLKHP-MNOVXSKESA-N 1 2 254.330 1.189 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCOCC12CC2 ZINC000338596412 391215128 /nfs/dbraw/zinc/21/51/28/391215128.db2.gz JSLCXDHYOVFMGQ-UHFFFAOYSA-N 1 2 250.342 1.052 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCOCC12CC2 ZINC000338596412 391215131 /nfs/dbraw/zinc/21/51/31/391215131.db2.gz JSLCXDHYOVFMGQ-UHFFFAOYSA-N 1 2 250.342 1.052 20 30 CDEDLO OC[C@]1(F)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000338589921 391215153 /nfs/dbraw/zinc/21/51/53/391215153.db2.gz VHOOHJTVSBUACC-AWEZNQCLSA-N 1 2 251.276 1.584 20 30 CDEDLO OC[C@]1(F)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000338589921 391215155 /nfs/dbraw/zinc/21/51/55/391215155.db2.gz VHOOHJTVSBUACC-AWEZNQCLSA-N 1 2 251.276 1.584 20 30 CDEDLO C=CCN(CCOC)c1cc(N2CCCC2)[nH+]cn1 ZINC000343208404 391296275 /nfs/dbraw/zinc/29/62/75/391296275.db2.gz RUHQRTNFAXPTOY-UHFFFAOYSA-N 1 2 262.357 1.716 20 30 CDEDLO C=CCN(CCOC)c1cc(N2CCCC2)nc[nH+]1 ZINC000343208404 391296279 /nfs/dbraw/zinc/29/62/79/391296279.db2.gz RUHQRTNFAXPTOY-UHFFFAOYSA-N 1 2 262.357 1.716 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N[C@H](Cc1ccccc1)C(C)=O ZINC000339755072 391348489 /nfs/dbraw/zinc/34/84/89/391348489.db2.gz UZGRNKPSSLCRIQ-MRXNPFEDSA-N 1 2 286.375 1.258 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N[C@H](Cc1ccccc1)C(C)=O ZINC000339755072 391348492 /nfs/dbraw/zinc/34/84/92/391348492.db2.gz UZGRNKPSSLCRIQ-MRXNPFEDSA-N 1 2 286.375 1.258 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CC(=O)N(CC)C[C@H](C)C#N ZINC000247169081 391402217 /nfs/dbraw/zinc/40/22/17/391402217.db2.gz JJNQUBAPULWROX-CHWSQXEVSA-N 1 2 267.373 1.105 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CC(=O)N(CC)C[C@H](C)C#N ZINC000247169081 391402220 /nfs/dbraw/zinc/40/22/20/391402220.db2.gz JJNQUBAPULWROX-CHWSQXEVSA-N 1 2 267.373 1.105 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)C1=O ZINC000330385667 391413058 /nfs/dbraw/zinc/41/30/58/391413058.db2.gz LQBVKLXMCVNTDK-CYBMUJFWSA-N 1 2 290.411 1.926 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)C1=O ZINC000330385667 391413059 /nfs/dbraw/zinc/41/30/59/391413059.db2.gz LQBVKLXMCVNTDK-CYBMUJFWSA-N 1 2 290.411 1.926 20 30 CDEDLO C[C@@H](O)CN1CC[N@H+](Cc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000330420438 391419852 /nfs/dbraw/zinc/41/98/52/391419852.db2.gz XPBWOSXHSPTONT-LSDHHAIUSA-N 1 2 287.407 1.640 20 30 CDEDLO C[C@@H](O)CN1CC[N@@H+](Cc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000330420438 391419854 /nfs/dbraw/zinc/41/98/54/391419854.db2.gz XPBWOSXHSPTONT-LSDHHAIUSA-N 1 2 287.407 1.640 20 30 CDEDLO N#Cc1csc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1 ZINC000348571895 391436616 /nfs/dbraw/zinc/43/66/16/391436616.db2.gz DBSFLDPJRKPEMA-KGLIPLIRSA-N 1 2 278.377 2.000 20 30 CDEDLO N#Cc1csc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1 ZINC000348571895 391436619 /nfs/dbraw/zinc/43/66/19/391436619.db2.gz DBSFLDPJRKPEMA-KGLIPLIRSA-N 1 2 278.377 2.000 20 30 CDEDLO COCCCCNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000330563813 391447655 /nfs/dbraw/zinc/44/76/55/391447655.db2.gz AYYYEMGTYKGQOB-UHFFFAOYSA-N 1 2 280.372 1.861 20 30 CDEDLO COCCCC[NH+]=C([O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000330563813 391447657 /nfs/dbraw/zinc/44/76/57/391447657.db2.gz AYYYEMGTYKGQOB-UHFFFAOYSA-N 1 2 280.372 1.861 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cscn1 ZINC000330616336 391459148 /nfs/dbraw/zinc/45/91/48/391459148.db2.gz DPHIIBUJHFBFKV-SECBINFHSA-N 1 2 255.343 1.168 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cscn1 ZINC000330616336 391459151 /nfs/dbraw/zinc/45/91/51/391459151.db2.gz DPHIIBUJHFBFKV-SECBINFHSA-N 1 2 255.343 1.168 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(N(C)C)nc1 ZINC000330622534 391460678 /nfs/dbraw/zinc/46/06/78/391460678.db2.gz OANZZEVEBWVNAJ-LBPRGKRZSA-N 1 2 292.383 1.173 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(N(C)C)nc1 ZINC000330622534 391460681 /nfs/dbraw/zinc/46/06/81/391460681.db2.gz OANZZEVEBWVNAJ-LBPRGKRZSA-N 1 2 292.383 1.173 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)c(Cl)c1 ZINC000439449606 391636211 /nfs/dbraw/zinc/63/62/11/391636211.db2.gz INPQIYZYHUELTO-LLVKDONJSA-N 1 2 299.783 1.074 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)c(Cl)c1 ZINC000439449606 391636213 /nfs/dbraw/zinc/63/62/13/391636213.db2.gz INPQIYZYHUELTO-LLVKDONJSA-N 1 2 299.783 1.074 20 30 CDEDLO C=CCCCCN1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O ZINC000359184180 391581621 /nfs/dbraw/zinc/58/16/21/391581621.db2.gz UCYKBIYTVSTYLW-LLVKDONJSA-N 1 2 262.313 1.229 20 30 CDEDLO C=CCCCCN1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O ZINC000359184180 391581627 /nfs/dbraw/zinc/58/16/27/391581627.db2.gz UCYKBIYTVSTYLW-LLVKDONJSA-N 1 2 262.313 1.229 20 30 CDEDLO C=C(C)CN(C)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000350192190 391601591 /nfs/dbraw/zinc/60/15/91/391601591.db2.gz PUMCRVOHGLISMS-UHFFFAOYSA-N 1 2 261.325 1.671 20 30 CDEDLO CC[C@H](CC#N)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000192242257 391716187 /nfs/dbraw/zinc/71/61/87/391716187.db2.gz TUPVWKUORIIYQN-TZMCWYRMSA-N 1 2 279.384 1.438 20 30 CDEDLO CC[C@H](CC#N)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000192242257 391716189 /nfs/dbraw/zinc/71/61/89/391716189.db2.gz TUPVWKUORIIYQN-TZMCWYRMSA-N 1 2 279.384 1.438 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1c(F)cncc1F ZINC000285894967 391718129 /nfs/dbraw/zinc/71/81/29/391718129.db2.gz ZMVOSFHZGZZMBX-BDAKNGLRSA-N 1 2 267.279 1.148 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000282770837 391682365 /nfs/dbraw/zinc/68/23/65/391682365.db2.gz LSZPXIPJVDTEOC-DWKGUQLISA-N 1 2 261.325 1.520 20 30 CDEDLO Cc1nccc([NH+]=C([O-])NC[C@H]2CCc3[nH+]ccn3C2)n1 ZINC000329815171 391783759 /nfs/dbraw/zinc/78/37/59/391783759.db2.gz DLRNYXIWKBZGQO-LLVKDONJSA-N 1 2 286.339 1.570 20 30 CDEDLO O=C(Nc1ccn2cc[nH+]c2c1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329782835 391778063 /nfs/dbraw/zinc/77/80/63/391778063.db2.gz OBPUKUMCLIIWRF-DRZSPHRISA-N 1 2 286.335 1.583 20 30 CDEDLO CCOC(=O)[C@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000121032219 391848614 /nfs/dbraw/zinc/84/86/14/391848614.db2.gz WBQDKGQQALTQTC-STQMWFEESA-N 1 2 263.341 1.705 20 30 CDEDLO CCOC(=O)[C@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000121032219 391848619 /nfs/dbraw/zinc/84/86/19/391848619.db2.gz WBQDKGQQALTQTC-STQMWFEESA-N 1 2 263.341 1.705 20 30 CDEDLO C[C@@H](C#N)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000372683822 391861107 /nfs/dbraw/zinc/86/11/07/391861107.db2.gz WFZUPMVDVOABMH-WCQYABFASA-N 1 2 258.325 1.074 20 30 CDEDLO C[C@@H](C#N)NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000372683822 391861113 /nfs/dbraw/zinc/86/11/13/391861113.db2.gz WFZUPMVDVOABMH-WCQYABFASA-N 1 2 258.325 1.074 20 30 CDEDLO COCC1(C#N)CCN(Cc2[nH+]cc(C)n2C)CC1 ZINC000342843280 392047425 /nfs/dbraw/zinc/04/74/25/392047425.db2.gz WJDNRYJZPGMDCA-UHFFFAOYSA-N 1 2 262.357 1.481 20 30 CDEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccno2)CC1 ZINC000263701964 131312052 /nfs/dbraw/zinc/31/20/52/131312052.db2.gz LQUHBFXTRFVODY-UHFFFAOYSA-N 1 2 268.320 1.868 20 30 CDEDLO N#Cc1nccnc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000263908485 131357833 /nfs/dbraw/zinc/35/78/33/131357833.db2.gz RLLJDTRSLVXEFN-UHFFFAOYSA-N 1 2 280.335 1.956 20 30 CDEDLO COCC[C@H]1COCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000361529002 392760506 /nfs/dbraw/zinc/76/05/06/392760506.db2.gz ROCAZQYMHATQJX-AWEZNQCLSA-N 1 2 278.327 1.935 20 30 CDEDLO COCC[C@H]1COCC[N@H+]1Cc1cccc(C#N)c1F ZINC000361529002 392760510 /nfs/dbraw/zinc/76/05/10/392760510.db2.gz ROCAZQYMHATQJX-AWEZNQCLSA-N 1 2 278.327 1.935 20 30 CDEDLO N#Cc1cnc(NC[C@H]2C[N@@H+](C3CC3)CCO2)c(F)c1 ZINC000413137302 392826446 /nfs/dbraw/zinc/82/64/46/392826446.db2.gz ZDUYOGBIXFSLJI-LBPRGKRZSA-N 1 2 276.315 1.367 20 30 CDEDLO N#Cc1cnc(NC[C@H]2C[N@H+](C3CC3)CCO2)c(F)c1 ZINC000413137302 392826451 /nfs/dbraw/zinc/82/64/51/392826451.db2.gz ZDUYOGBIXFSLJI-LBPRGKRZSA-N 1 2 276.315 1.367 20 30 CDEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000267887201 131929138 /nfs/dbraw/zinc/92/91/38/131929138.db2.gz QNFCBJGXLWOMPN-LBPRGKRZSA-N 1 2 287.363 1.787 20 30 CDEDLO C[C@H](CNc1nccc(C#N)c1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000268539852 132024359 /nfs/dbraw/zinc/02/43/59/132024359.db2.gz YYXJYUAPYWGAMN-SNVBAGLBSA-N 1 2 286.295 1.806 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Nc1c(C#N)cccc1[N+](=O)[O-] ZINC000425204777 392993486 /nfs/dbraw/zinc/99/34/86/392993486.db2.gz HZWVEJBHSVZECE-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO Cc1cc(N2CCC(n3cncn3)CC2)c(C#N)c[nH+]1 ZINC000425225871 392997198 /nfs/dbraw/zinc/99/71/98/392997198.db2.gz PQPPDCLMDILUQG-UHFFFAOYSA-N 1 2 268.324 1.695 20 30 CDEDLO CCc1nn(C)c(OC)c1CNc1cc(C)[nH+]cc1C#N ZINC000425251567 393004949 /nfs/dbraw/zinc/00/49/49/393004949.db2.gz XZGPADUBYHVHAD-UHFFFAOYSA-N 1 2 285.351 1.600 20 30 CDEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccccn3)CC2)c1C#N ZINC000530513336 393051619 /nfs/dbraw/zinc/05/16/19/393051619.db2.gz JNQMGMRAKIIRTI-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000132688973 393133183 /nfs/dbraw/zinc/13/31/83/393133183.db2.gz UCLYHQWTSNWETR-LBPRGKRZSA-N 1 2 297.362 1.715 20 30 CDEDLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1cc(C#N)cs1 ZINC000093385035 147047903 /nfs/dbraw/zinc/04/79/03/147047903.db2.gz LMJFEHPRNCAFHV-SECBINFHSA-N 1 2 272.395 1.485 20 30 CDEDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000093385035 147047906 /nfs/dbraw/zinc/04/79/06/147047906.db2.gz LMJFEHPRNCAFHV-SECBINFHSA-N 1 2 272.395 1.485 20 30 CDEDLO C[C@@H](C(=O)N1CCn2cc[nH+]c2C1)c1cccc(C#N)c1 ZINC000335168207 150363144 /nfs/dbraw/zinc/36/31/44/150363144.db2.gz PFHGXDXTAAQZAE-GFCCVEGCSA-N 1 2 280.331 1.901 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000120914064 286191836 /nfs/dbraw/zinc/19/18/36/286191836.db2.gz JSQIZHMAEORELC-HNNXBMFYSA-N 1 2 287.363 1.523 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000120914064 286191839 /nfs/dbraw/zinc/19/18/39/286191839.db2.gz JSQIZHMAEORELC-HNNXBMFYSA-N 1 2 287.363 1.523 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc(C#N)cs2)C1 ZINC000336114020 151279917 /nfs/dbraw/zinc/27/99/17/151279917.db2.gz KHPFYPTXOVNOLX-NSHDSACASA-N 1 2 286.360 1.983 20 30 CDEDLO C[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccco1 ZINC000349114855 154053987 /nfs/dbraw/zinc/05/39/87/154053987.db2.gz BLYUQVTXESLTGJ-UHFFFAOYSA-N 1 2 283.331 1.899 20 30 CDEDLO C[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccco1 ZINC000349114855 154053990 /nfs/dbraw/zinc/05/39/90/154053990.db2.gz BLYUQVTXESLTGJ-UHFFFAOYSA-N 1 2 283.331 1.899 20 30 CDEDLO N#Cc1ccc(CN2CCN(Cc3[nH]cc[nH+]3)CC2)o1 ZINC000353926380 156163617 /nfs/dbraw/zinc/16/36/17/156163617.db2.gz YWCGISXJXFBZIJ-UHFFFAOYSA-N 1 2 271.324 1.192 20 30 CDEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NCc1[nH+]ccn1C ZINC000359102998 158126675 /nfs/dbraw/zinc/12/66/75/158126675.db2.gz MOXARITWHOMUOQ-UHFFFAOYSA-N 1 2 293.334 1.215 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc1 ZINC000374374613 160279940 /nfs/dbraw/zinc/27/99/40/160279940.db2.gz NJMRUJUEIDODEP-INIZCTEOSA-N 1 2 292.342 1.740 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)CCCOC)C1 ZINC001665500633 1173006234 /nfs/dbraw/zinc/00/62/34/1173006234.db2.gz MEHDVOWGRDEDKB-YPMHNXCESA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)CCCOC)C1 ZINC001665500633 1173006237 /nfs/dbraw/zinc/00/62/37/1173006237.db2.gz MEHDVOWGRDEDKB-YPMHNXCESA-N 1 2 288.819 1.992 20 30 CDEDLO C=CC[N@H+]1CCc2c(cccc2S(=O)(=O)NC)C1 ZINC000284790595 196133037 /nfs/dbraw/zinc/13/30/37/196133037.db2.gz NXPXTGKDIYKFLV-UHFFFAOYSA-N 1 2 266.366 1.139 20 30 CDEDLO C=CC[N@@H+]1CCc2c(cccc2S(=O)(=O)NC)C1 ZINC000284790595 196133038 /nfs/dbraw/zinc/13/30/38/196133038.db2.gz NXPXTGKDIYKFLV-UHFFFAOYSA-N 1 2 266.366 1.139 20 30 CDEDLO C=CCOc1ccc(C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000035200283 172045049 /nfs/dbraw/zinc/04/50/49/172045049.db2.gz HRILEIMZUGUXHK-UHFFFAOYSA-N 1 2 290.363 1.002 20 30 CDEDLO C=CC(C)(C)CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000665024545 413798331 /nfs/dbraw/zinc/79/83/31/413798331.db2.gz YUDXCHHRPZQWAE-STQMWFEESA-N 1 2 283.416 1.607 20 30 CDEDLO C=CC(C)(C)CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000665024545 413798338 /nfs/dbraw/zinc/79/83/38/413798338.db2.gz YUDXCHHRPZQWAE-STQMWFEESA-N 1 2 283.416 1.607 20 30 CDEDLO C=CC[N@H+](CC(=O)Nc1ccon1)[C@H](C)COC ZINC000661249088 413921220 /nfs/dbraw/zinc/92/12/20/413921220.db2.gz ZMGBMINUHSFWCS-SNVBAGLBSA-N 1 2 253.302 1.136 20 30 CDEDLO C=CC[N@@H+](CC(=O)Nc1ccon1)[C@H](C)COC ZINC000661249088 413921230 /nfs/dbraw/zinc/92/12/30/413921230.db2.gz ZMGBMINUHSFWCS-SNVBAGLBSA-N 1 2 253.302 1.136 20 30 CDEDLO C[C@@H]1C[C@]1(C#N)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000336234712 228218752 /nfs/dbraw/zinc/21/87/52/228218752.db2.gz LXMZOBLASVGQIG-IUODEOHRSA-N 1 2 289.404 1.942 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NCc1cccs1 ZINC000299216847 260175086 /nfs/dbraw/zinc/17/50/86/260175086.db2.gz IAUGWEWFJGHKOD-GFCCVEGCSA-N 1 2 260.362 1.321 20 30 CDEDLO Cc1[nH]c(=S)sc1C=C(O)NC1=[NH+]CCS1 ZINC000048622026 260201583 /nfs/dbraw/zinc/20/15/83/260201583.db2.gz SJTMQXCLLSOBNG-UHFFFAOYSA-N 1 2 273.408 1.502 20 30 CDEDLO C[C@@H](NC(=O)C1(C#N)CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000408079584 260217772 /nfs/dbraw/zinc/21/77/72/260217772.db2.gz HUNCHOBEGRPKFY-KGLIPLIRSA-N 1 2 293.411 1.686 20 30 CDEDLO C=CCOc1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000088753710 260234476 /nfs/dbraw/zinc/23/44/76/260234476.db2.gz SLRYVCBHHHBBNV-UHFFFAOYSA-N 1 2 257.293 1.905 20 30 CDEDLO C=CCOc1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000088753710 260234477 /nfs/dbraw/zinc/23/44/77/260234477.db2.gz SLRYVCBHHHBBNV-UHFFFAOYSA-N 1 2 257.293 1.905 20 30 CDEDLO CN(C)C(=O)C(C)(C)[NH2+]Cc1cccc(F)c1C#N ZINC000517815439 260308593 /nfs/dbraw/zinc/30/85/93/260308593.db2.gz PLPFVXKDDOEEAW-UHFFFAOYSA-N 1 2 263.316 1.654 20 30 CDEDLO CC#CCCO[NH+]=C(N)COc1cccc(C(=O)OC)c1 ZINC000154887893 261095612 /nfs/dbraw/zinc/09/56/12/261095612.db2.gz WRLJSHPOILVDGF-UHFFFAOYSA-N 1 2 290.319 1.554 20 30 CDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCCSc1ccccc1 ZINC000183256628 261969024 /nfs/dbraw/zinc/96/90/24/261969024.db2.gz RPDDPTZOBWMELN-UHFFFAOYSA-N 1 2 295.408 1.982 20 30 CDEDLO CC#CCNC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339350783 262631380 /nfs/dbraw/zinc/63/13/80/262631380.db2.gz YGJPZOVWLFAQAF-QWHCGFSZSA-N 1 2 252.358 1.015 20 30 CDEDLO CC#CCNC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000339350783 262631381 /nfs/dbraw/zinc/63/13/81/262631381.db2.gz YGJPZOVWLFAQAF-QWHCGFSZSA-N 1 2 252.358 1.015 20 30 CDEDLO C[C@@H]1CCN(C(=O)NCCCC#N)C[C@H]1n1cc[nH+]c1 ZINC000273209525 263014060 /nfs/dbraw/zinc/01/40/60/263014060.db2.gz JPPBOFLIONGQFA-CHWSQXEVSA-N 1 2 275.356 1.779 20 30 CDEDLO Cc1ccc(NC(=O)C(=O)N(C)CCC#N)c(C)[nH+]1 ZINC000283272111 263082280 /nfs/dbraw/zinc/08/22/80/263082280.db2.gz MYCDLVYZJVFAHY-UHFFFAOYSA-N 1 2 260.297 1.009 20 30 CDEDLO CC(C)(C)c1noc(CO[NH+]=C(N)[C@@H]2CCCO2)n1 ZINC000284594051 263087546 /nfs/dbraw/zinc/08/75/46/263087546.db2.gz YDSGVYRHIKAUQC-QMMMGPOBSA-N 1 2 268.317 1.335 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000121609085 263297833 /nfs/dbraw/zinc/29/78/33/263297833.db2.gz BHKARSHPKMPUGX-UHFFFAOYSA-N 1 2 275.352 1.445 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000121609085 263297834 /nfs/dbraw/zinc/29/78/34/263297834.db2.gz BHKARSHPKMPUGX-UHFFFAOYSA-N 1 2 275.352 1.445 20 30 CDEDLO C[C@H](CN1CCCC1=O)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328959945 263908604 /nfs/dbraw/zinc/90/86/04/263908604.db2.gz PFGTUOUUGHJNMN-NEPJUHHUSA-N 1 2 290.367 1.413 20 30 CDEDLO CCCCNC(=O)NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000330778433 264035183 /nfs/dbraw/zinc/03/51/83/264035183.db2.gz LEOCTWCXWHIPSR-UHFFFAOYSA-N 1 2 280.372 1.442 20 30 CDEDLO CCc1nc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)co1 ZINC000330831662 264049917 /nfs/dbraw/zinc/04/99/17/264049917.db2.gz JVJAGAGWLDBYDG-JTQLQIEISA-N 1 2 267.329 1.262 20 30 CDEDLO Cc1nscc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330784477 264052793 /nfs/dbraw/zinc/05/27/93/264052793.db2.gz KBIGPHDTCMUQBP-SECBINFHSA-N 1 2 269.370 1.477 20 30 CDEDLO Cc1nscc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330784477 264052795 /nfs/dbraw/zinc/05/27/95/264052795.db2.gz KBIGPHDTCMUQBP-SECBINFHSA-N 1 2 269.370 1.477 20 30 CDEDLO C[C@H]1[N@H+](CC(=O)N(CCC#N)CCC#N)CCOC1(C)C ZINC000331044082 264108076 /nfs/dbraw/zinc/10/80/76/264108076.db2.gz FPOBSJCWEUISHL-CYBMUJFWSA-N 1 2 292.383 1.142 20 30 CDEDLO C[C@H]1[N@@H+](CC(=O)N(CCC#N)CCC#N)CCOC1(C)C ZINC000331044082 264108078 /nfs/dbraw/zinc/10/80/78/264108078.db2.gz FPOBSJCWEUISHL-CYBMUJFWSA-N 1 2 292.383 1.142 20 30 CDEDLO CC(C)=CCCNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000331076481 264115285 /nfs/dbraw/zinc/11/52/85/264115285.db2.gz LPMLYOYRAYSMGG-ZIAGYGMSSA-N 1 2 283.416 1.956 20 30 CDEDLO CC[C@H](C(=O)NCC(C)(C)C#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000331115924 264128894 /nfs/dbraw/zinc/12/88/94/264128894.db2.gz DPRUNYHKRGATKJ-CHWSQXEVSA-N 1 2 281.400 1.542 20 30 CDEDLO CC[C@H](C(=O)NCC(C)(C)C#N)[N@H+]1CCO[C@H](CC)C1 ZINC000331115924 264128896 /nfs/dbraw/zinc/12/88/96/264128896.db2.gz DPRUNYHKRGATKJ-CHWSQXEVSA-N 1 2 281.400 1.542 20 30 CDEDLO Cc1[nH]ccc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000331135090 264134362 /nfs/dbraw/zinc/13/43/62/264134362.db2.gz HYIWEIUQJAFKOZ-SNVBAGLBSA-N 1 2 251.330 1.348 20 30 CDEDLO Cc1[nH]ccc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000331135090 264134364 /nfs/dbraw/zinc/13/43/64/264134364.db2.gz HYIWEIUQJAFKOZ-SNVBAGLBSA-N 1 2 251.330 1.348 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000048045576 424069752 /nfs/dbraw/zinc/06/97/52/424069752.db2.gz WTYJVKWWKBVWEN-UHFFFAOYSA-N 1 2 281.400 1.012 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000048045576 424069762 /nfs/dbraw/zinc/06/97/62/424069762.db2.gz WTYJVKWWKBVWEN-UHFFFAOYSA-N 1 2 281.400 1.012 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@]2(CO)CCc3ccccc32)nn1 ZINC000653587238 424310508 /nfs/dbraw/zinc/31/05/08/424310508.db2.gz VPSAOHKQSWGIRU-QGZVFWFLSA-N 1 2 298.390 1.778 20 30 CDEDLO C=CC[N@@H+](CC(=O)Nc1c(C)nn(C)c1C)C1CC1 ZINC000357551711 266322177 /nfs/dbraw/zinc/32/21/77/266322177.db2.gz KWCGCLCDHHRFEO-UHFFFAOYSA-N 1 2 262.357 1.626 20 30 CDEDLO C=CC[N@H+](CC(=O)Nc1c(C)nn(C)c1C)C1CC1 ZINC000357551711 266322181 /nfs/dbraw/zinc/32/21/81/266322181.db2.gz KWCGCLCDHHRFEO-UHFFFAOYSA-N 1 2 262.357 1.626 20 30 CDEDLO CCOC[C@H]1C[N@H+](Cc2cc(C#N)cs2)CCO1 ZINC000529667232 267141688 /nfs/dbraw/zinc/14/16/88/267141688.db2.gz TXMXPUBMBJPGLO-GFCCVEGCSA-N 1 2 266.366 1.857 20 30 CDEDLO CCOC[C@H]1C[N@@H+](Cc2cc(C#N)cs2)CCO1 ZINC000529667232 267141690 /nfs/dbraw/zinc/14/16/90/267141690.db2.gz TXMXPUBMBJPGLO-GFCCVEGCSA-N 1 2 266.366 1.857 20 30 CDEDLO CCOC[C@H]1C[N@H+](Cc2ccc(OC)c(C#N)c2)CCO1 ZINC000528721917 267141872 /nfs/dbraw/zinc/14/18/72/267141872.db2.gz GCIHECRIJOYGLY-OAHLLOKOSA-N 1 2 290.363 1.804 20 30 CDEDLO CCOC[C@H]1C[N@@H+](Cc2ccc(OC)c(C#N)c2)CCO1 ZINC000528721917 267141873 /nfs/dbraw/zinc/14/18/73/267141873.db2.gz GCIHECRIJOYGLY-OAHLLOKOSA-N 1 2 290.363 1.804 20 30 CDEDLO CCO[C@@H]1C[C@@H](Nc2cc(C)[nH+]cc2C#N)[C@@]12CCCO2 ZINC000514933269 267149126 /nfs/dbraw/zinc/14/91/26/267149126.db2.gz XKMPCPNSDXKQAT-OAGGEKHMSA-N 1 2 287.363 1.822 20 30 CDEDLO C=CCCS(=O)(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000369340477 267236684 /nfs/dbraw/zinc/23/66/84/267236684.db2.gz XGUKDPSBEMMFPQ-LBPRGKRZSA-N 1 2 283.397 1.505 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000375244820 267842252 /nfs/dbraw/zinc/84/22/52/267842252.db2.gz ISGJNHUJHBEHOI-ZFWWWQNUSA-N 1 2 278.396 1.405 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000375244820 267842256 /nfs/dbraw/zinc/84/22/56/267842256.db2.gz ISGJNHUJHBEHOI-ZFWWWQNUSA-N 1 2 278.396 1.405 20 30 CDEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268622622 289031225 /nfs/dbraw/zinc/03/12/25/289031225.db2.gz ANQRHSBJPVLPCP-JLGNDMCRSA-N 1 2 292.404 1.433 20 30 CDEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268622622 289031226 /nfs/dbraw/zinc/03/12/26/289031226.db2.gz ANQRHSBJPVLPCP-JLGNDMCRSA-N 1 2 292.404 1.433 20 30 CDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)C3(C#N)CCCCC3)C[C@H]21 ZINC000332230792 290089108 /nfs/dbraw/zinc/08/91/08/290089108.db2.gz LXUXTJUTCADPAT-CHWSQXEVSA-N 1 2 277.368 1.002 20 30 CDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)C3(C#N)CCCCC3)C[C@H]21 ZINC000332230792 290089109 /nfs/dbraw/zinc/08/91/09/290089109.db2.gz LXUXTJUTCADPAT-CHWSQXEVSA-N 1 2 277.368 1.002 20 30 CDEDLO Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)[nH]1 ZINC000556820413 290303508 /nfs/dbraw/zinc/30/35/08/290303508.db2.gz TWMBVGALCMMBKS-GXFFZTMASA-N 1 2 298.350 1.594 20 30 CDEDLO Cc1nnc([C@H](C)[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)[nH]1 ZINC000556820413 290303511 /nfs/dbraw/zinc/30/35/11/290303511.db2.gz TWMBVGALCMMBKS-GXFFZTMASA-N 1 2 298.350 1.594 20 30 CDEDLO N#Cc1cc(NCc2cccc(-c3[nH]cc[nH+]3)c2)ncn1 ZINC000568708875 294084958 /nfs/dbraw/zinc/08/49/58/294084958.db2.gz YPOUYIFQXNXCCW-UHFFFAOYSA-N 1 2 276.303 1.772 20 30 CDEDLO CCC[N@H+](CC(N)=O)Cc1cccc(C(=O)OC)c1C#N ZINC000571000280 294349157 /nfs/dbraw/zinc/34/91/57/294349157.db2.gz OCAJLUHOZVIJHL-UHFFFAOYSA-N 1 2 289.335 1.042 20 30 CDEDLO CCC[N@@H+](CC(N)=O)Cc1cccc(C(=O)OC)c1C#N ZINC000571000280 294349160 /nfs/dbraw/zinc/34/91/60/294349160.db2.gz OCAJLUHOZVIJHL-UHFFFAOYSA-N 1 2 289.335 1.042 20 30 CDEDLO C[C@H](C(=O)Nc1nccs1)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329918921 298244111 /nfs/dbraw/zinc/24/41/11/298244111.db2.gz GFCJCSWVIZNNDB-OUAUKWLOSA-N 1 2 296.396 1.134 20 30 CDEDLO C[C@H](C(=O)Nc1nccs1)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329918921 298244113 /nfs/dbraw/zinc/24/41/13/298244113.db2.gz GFCJCSWVIZNNDB-OUAUKWLOSA-N 1 2 296.396 1.134 20 30 CDEDLO C=CCSCCNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000119340743 327899261 /nfs/dbraw/zinc/89/92/61/327899261.db2.gz YGHATPAUXAWPKK-UHFFFAOYSA-N 1 2 282.413 1.834 20 30 CDEDLO Cc1cc(C)cc(OCC(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000563220955 327979744 /nfs/dbraw/zinc/97/97/44/327979744.db2.gz XVNFUVWQHVCZIA-MRXNPFEDSA-N 1 2 289.379 1.642 20 30 CDEDLO C[C@@H]1CC[C@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000567995722 328001710 /nfs/dbraw/zinc/00/17/10/328001710.db2.gz TZOKIPXYWUAMKY-MBNYWOFBSA-N 1 2 251.374 1.773 20 30 CDEDLO CCOC(=O)[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)C1CCOCC1 ZINC000330494850 328462136 /nfs/dbraw/zinc/46/21/36/328462136.db2.gz TVEKHYKSWNGHJE-LBPRGKRZSA-N 1 2 295.339 1.381 20 30 CDEDLO CC[N@H+](CC(=O)NC1(C#N)CCCCC1)C1COC1 ZINC000560265304 327295433 /nfs/dbraw/zinc/29/54/33/327295433.db2.gz BSVSUQJOCOHSER-UHFFFAOYSA-N 1 2 265.357 1.050 20 30 CDEDLO CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)C1COC1 ZINC000560265304 327295435 /nfs/dbraw/zinc/29/54/35/327295435.db2.gz BSVSUQJOCOHSER-UHFFFAOYSA-N 1 2 265.357 1.050 20 30 CDEDLO CC1CC(C#N)(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)C1 ZINC000561204826 327375282 /nfs/dbraw/zinc/37/52/82/327375282.db2.gz FALXUXDSARXCNT-MYMJJRTCSA-N 1 2 291.395 1.248 20 30 CDEDLO N#C[C@H]1N(C(=O)Cn2cc[nH+]c2)CCC[C@]12CCCCO2 ZINC000582521272 329100231 /nfs/dbraw/zinc/10/02/31/329100231.db2.gz YBSRTWQTVQZTSJ-UKRRQHHQSA-N 1 2 288.351 1.337 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000188833445 329373482 /nfs/dbraw/zinc/37/34/82/329373482.db2.gz FEYXJXCLEKHFID-DGCLKSJQSA-N 1 2 265.357 1.048 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000188833445 329373483 /nfs/dbraw/zinc/37/34/83/329373483.db2.gz FEYXJXCLEKHFID-DGCLKSJQSA-N 1 2 265.357 1.048 20 30 CDEDLO Cc1cc(CNS(=O)(=O)CC2(CC#N)CC2)cc(C)[nH+]1 ZINC000420695073 329781775 /nfs/dbraw/zinc/78/17/75/329781775.db2.gz CTHCYBODEQBPTJ-UHFFFAOYSA-N 1 2 293.392 1.812 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCCc1ccc(F)cc1 ZINC000580723083 330146841 /nfs/dbraw/zinc/14/68/41/330146841.db2.gz OYBSHBAOJGPYCP-CQSZACIVSA-N 1 2 277.343 1.766 20 30 CDEDLO N#CCCN(C(=O)C[N@H+]1CC[C@@H](F)C1)c1ccccc1 ZINC000451180663 331019002 /nfs/dbraw/zinc/01/90/02/331019002.db2.gz DCGXGKNLFHBZND-CYBMUJFWSA-N 1 2 275.327 1.977 20 30 CDEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@@H](F)C1)c1ccccc1 ZINC000451180663 331019003 /nfs/dbraw/zinc/01/90/03/331019003.db2.gz DCGXGKNLFHBZND-CYBMUJFWSA-N 1 2 275.327 1.977 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCc2c(cccc2C(=O)OC)C1 ZINC000459535574 331286437 /nfs/dbraw/zinc/28/64/37/331286437.db2.gz KBRTWWKDAUTEDC-UHFFFAOYSA-N 1 2 288.347 1.134 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCc2c(cccc2C(=O)OC)C1 ZINC000459535574 331286438 /nfs/dbraw/zinc/28/64/38/331286438.db2.gz KBRTWWKDAUTEDC-UHFFFAOYSA-N 1 2 288.347 1.134 20 30 CDEDLO C#CC[N@H+](CC#CC)CCS(=O)(=O)Oc1ccccc1 ZINC000490678402 332102995 /nfs/dbraw/zinc/10/29/95/332102995.db2.gz NTQUTRFZROZZSJ-UHFFFAOYSA-N 1 2 291.372 1.354 20 30 CDEDLO C#CC[N@@H+](CC#CC)CCS(=O)(=O)Oc1ccccc1 ZINC000490678402 332102996 /nfs/dbraw/zinc/10/29/96/332102996.db2.gz NTQUTRFZROZZSJ-UHFFFAOYSA-N 1 2 291.372 1.354 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@](C(C)C)(C2CC2)C1=O ZINC000490690713 332104981 /nfs/dbraw/zinc/10/49/81/332104981.db2.gz UDVDUUXUWIFCTN-XHDPSFHLSA-N 1 2 277.368 1.254 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@](C(C)C)(C2CC2)C1=O ZINC000490690713 332104982 /nfs/dbraw/zinc/10/49/82/332104982.db2.gz UDVDUUXUWIFCTN-XHDPSFHLSA-N 1 2 277.368 1.254 20 30 CDEDLO C#CCN(C(=O)CCc1c[nH+]cn1C)C1CCCC1 ZINC000490741734 332111760 /nfs/dbraw/zinc/11/17/60/332111760.db2.gz WOVOATVGEUAXID-UHFFFAOYSA-N 1 2 259.353 1.757 20 30 CDEDLO C#CCN(CC#C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000491164313 332158841 /nfs/dbraw/zinc/15/88/41/332158841.db2.gz ALDJAOKDZVCDSX-UHFFFAOYSA-N 1 2 277.327 1.640 20 30 CDEDLO C#CCNC(=O)CC[NH2+]C1(C(=O)OC(C)(C)C)CCCC1 ZINC000491202915 332165202 /nfs/dbraw/zinc/16/52/02/332165202.db2.gz RELRRBDEUXAIPR-UHFFFAOYSA-N 1 2 294.395 1.370 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)c1c(C)[nH]c(C(=O)OCC)c1C ZINC000491438706 332211490 /nfs/dbraw/zinc/21/14/90/332211490.db2.gz FVDDDWWARNVQLX-SNVBAGLBSA-N 1 2 290.363 1.944 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)c1c(C)[nH]c(C(=O)OCC)c1C ZINC000491438706 332211491 /nfs/dbraw/zinc/21/14/91/332211491.db2.gz FVDDDWWARNVQLX-SNVBAGLBSA-N 1 2 290.363 1.944 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)/C=C\c1ccc(OCC#N)cc1 ZINC000491447451 332212917 /nfs/dbraw/zinc/21/29/17/332212917.db2.gz CHAMSBMNTCSWAG-DAXSKMNVSA-N 1 2 296.330 1.652 20 30 CDEDLO C#CCN(C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)C1CC1 ZINC000491486331 332220612 /nfs/dbraw/zinc/22/06/12/332220612.db2.gz VFVAIHYRKKTUJX-UHFFFAOYSA-N 1 2 295.346 1.956 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N1CCCc2cc(OC)ccc21 ZINC000491734291 332315065 /nfs/dbraw/zinc/31/50/65/332315065.db2.gz SNRRUOCRLMNMJN-ZDUSSCGKSA-N 1 2 286.375 1.928 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)N1CCCc2cc(OC)ccc21 ZINC000491734291 332315066 /nfs/dbraw/zinc/31/50/66/332315066.db2.gz SNRRUOCRLMNMJN-ZDUSSCGKSA-N 1 2 286.375 1.928 20 30 CDEDLO C#C[C@@H](CC)NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000491780113 332344654 /nfs/dbraw/zinc/34/46/54/332344654.db2.gz IGBMYSAPIDCBGY-RYUDHWBXSA-N 1 2 274.368 1.924 20 30 CDEDLO C#CCN(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000491807002 332360132 /nfs/dbraw/zinc/36/01/32/332360132.db2.gz SANKJXZOIXTYGP-UHFFFAOYSA-N 1 2 253.305 1.637 20 30 CDEDLO C=C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000521725881 333185192 /nfs/dbraw/zinc/18/51/92/333185192.db2.gz NECWKSRQKFFBIS-UHFFFAOYSA-N 1 2 269.308 1.455 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000192231047 333232966 /nfs/dbraw/zinc/23/29/66/333232966.db2.gz JKCYBAUWJSRUNR-SNVBAGLBSA-N 1 2 291.307 1.495 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000192231047 333232968 /nfs/dbraw/zinc/23/29/68/333232968.db2.gz JKCYBAUWJSRUNR-SNVBAGLBSA-N 1 2 291.307 1.495 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000523443537 333327372 /nfs/dbraw/zinc/32/73/72/333327372.db2.gz VVTHQHIHDRNGPK-SNVBAGLBSA-N 1 2 280.290 1.332 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000523443537 333327374 /nfs/dbraw/zinc/32/73/74/333327374.db2.gz VVTHQHIHDRNGPK-SNVBAGLBSA-N 1 2 280.290 1.332 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000548096809 334139549 /nfs/dbraw/zinc/13/95/49/334139549.db2.gz ZLVRWWGNUIJFIO-BZPMIXESSA-N 1 2 291.395 1.437 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000548096809 334139550 /nfs/dbraw/zinc/13/95/50/334139550.db2.gz ZLVRWWGNUIJFIO-BZPMIXESSA-N 1 2 291.395 1.437 20 30 CDEDLO CC#CC[NH+]1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000548485766 334159639 /nfs/dbraw/zinc/15/96/39/334159639.db2.gz XMOKZTPFAQULPM-UHFFFAOYSA-N 1 2 296.374 1.878 20 30 CDEDLO C[C@H](CC#N)NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000553427273 334384012 /nfs/dbraw/zinc/38/40/12/334384012.db2.gz UFVNJBPJADQDKP-BDAKNGLRSA-N 1 2 288.273 1.874 20 30 CDEDLO C[C@@H](NCC#N)[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001752146147 1159450235 /nfs/dbraw/zinc/45/02/35/1159450235.db2.gz JGOHXECSMZHOTP-OCCSQVGLSA-N 1 2 289.383 1.225 20 30 CDEDLO C[C@@H](NCC#N)[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001752146147 1159450236 /nfs/dbraw/zinc/45/02/36/1159450236.db2.gz JGOHXECSMZHOTP-OCCSQVGLSA-N 1 2 289.383 1.225 20 30 CDEDLO CCC#C[C@@H](C)[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000680582577 482514754 /nfs/dbraw/zinc/51/47/54/482514754.db2.gz CCBGUJCNIGYFDV-GFCCVEGCSA-N 1 2 262.332 1.540 20 30 CDEDLO CCC#C[C@@H](C)[NH+]1CCN(Cc2cc(C)no2)CC1 ZINC000677047059 482520101 /nfs/dbraw/zinc/52/01/01/482520101.db2.gz QCLHVXKFERXIPI-CQSZACIVSA-N 1 2 261.369 1.903 20 30 CDEDLO CCC#C[C@@H](C)N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000677047059 482520105 /nfs/dbraw/zinc/52/01/05/482520105.db2.gz QCLHVXKFERXIPI-CQSZACIVSA-N 1 2 261.369 1.903 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](CC)C1 ZINC000249057498 482609070 /nfs/dbraw/zinc/60/90/70/482609070.db2.gz NRABGAVGIOEMFI-KGLIPLIRSA-N 1 2 266.385 1.686 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000249057498 482609077 /nfs/dbraw/zinc/60/90/77/482609077.db2.gz NRABGAVGIOEMFI-KGLIPLIRSA-N 1 2 266.385 1.686 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000684761294 482957025 /nfs/dbraw/zinc/95/70/25/482957025.db2.gz PRQNLBOULGFEMG-GFCCVEGCSA-N 1 2 269.370 1.426 20 30 CDEDLO CCC#C[C@@H](C)[NH+]1CCC(S(=O)(=O)CC)CC1 ZINC000683528898 483568831 /nfs/dbraw/zinc/56/88/31/483568831.db2.gz DUJRAWBJPFONCK-GFCCVEGCSA-N 1 2 257.399 1.687 20 30 CDEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3csnc3C)[C@H]2C1 ZINC001083056020 1161584149 /nfs/dbraw/zinc/58/41/49/1161584149.db2.gz VIGVJXHNYLPLTH-QWHCGFSZSA-N 1 2 293.392 1.163 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3csnc3C)[C@H]2C1 ZINC001083056020 1161584153 /nfs/dbraw/zinc/58/41/53/1161584153.db2.gz VIGVJXHNYLPLTH-QWHCGFSZSA-N 1 2 293.392 1.163 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](OC)[C@@H](C)CC)CC1 ZINC001113044212 1162082054 /nfs/dbraw/zinc/08/20/54/1162082054.db2.gz MZYDVIRWMVHOLN-LSDHHAIUSA-N 1 2 298.427 1.394 20 30 CDEDLO CCCCCCC[NH+]1CCN(C(=O)c2[nH]nnc2C)CC1 ZINC001113181883 1162123932 /nfs/dbraw/zinc/12/39/32/1162123932.db2.gz MUAJCGNPBLHCMQ-UHFFFAOYSA-N 1 2 293.415 1.841 20 30 CDEDLO O=C(Nc1nncn1C1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000329122259 534334609 /nfs/dbraw/zinc/33/46/09/534334609.db2.gz QYKLWGKLXRSGAU-VIFPVBQESA-N 1 2 272.312 1.660 20 30 CDEDLO Cc1ccnc(C)c1NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329263751 534387098 /nfs/dbraw/zinc/38/70/98/534387098.db2.gz ZWICNLJBOCXOEN-STQMWFEESA-N 1 2 290.367 1.259 20 30 CDEDLO Cc1ccnc(C)c1NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329263751 534387102 /nfs/dbraw/zinc/38/71/02/534387102.db2.gz ZWICNLJBOCXOEN-STQMWFEESA-N 1 2 290.367 1.259 20 30 CDEDLO Cc1ncc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(C)n1 ZINC000330335669 534723940 /nfs/dbraw/zinc/72/39/40/534723940.db2.gz ZDCQSVCRAWSXFZ-LLVKDONJSA-N 1 2 271.324 1.610 20 30 CDEDLO C=CCNc1ncc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)s1 ZINC000269306310 534865971 /nfs/dbraw/zinc/86/59/71/534865971.db2.gz MGXVKAHWUHBKKV-JTQLQIEISA-N 1 2 291.380 1.756 20 30 CDEDLO N#Cc1ccc(NCC[NH+]2CCOCC2)c(Cl)c1 ZINC000062790792 526661003 /nfs/dbraw/zinc/66/10/03/526661003.db2.gz QLABZEMUNKWKAV-UHFFFAOYSA-N 1 2 265.744 1.956 20 30 CDEDLO C=CCOCCC[N@@H+]1C[C@@H](OC)C[C@@H]1c1nnc[nH]1 ZINC000344761557 526758103 /nfs/dbraw/zinc/75/81/03/526758103.db2.gz YWIRCNNVKIONSY-NWDGAFQWSA-N 1 2 266.345 1.159 20 30 CDEDLO C=CCOCCC[N@H+]1C[C@@H](OC)C[C@@H]1c1nnc[nH]1 ZINC000344761557 526758109 /nfs/dbraw/zinc/75/81/09/526758109.db2.gz YWIRCNNVKIONSY-NWDGAFQWSA-N 1 2 266.345 1.159 20 30 CDEDLO CC(C)(C#N)CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000354732234 527479650 /nfs/dbraw/zinc/47/96/50/527479650.db2.gz RTICFVPFIIMZFD-GFCCVEGCSA-N 1 2 287.367 1.509 20 30 CDEDLO CC(=O)NC1C[NH+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000330132534 527541237 /nfs/dbraw/zinc/54/12/37/527541237.db2.gz QLNGVCFMSJTRCU-UHFFFAOYSA-N 1 2 291.376 1.761 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000352493703 527618488 /nfs/dbraw/zinc/61/84/88/527618488.db2.gz ULUSITWFMRKPDX-MRXNPFEDSA-N 1 2 298.427 1.442 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000352493703 527618495 /nfs/dbraw/zinc/61/84/95/527618495.db2.gz ULUSITWFMRKPDX-MRXNPFEDSA-N 1 2 298.427 1.442 20 30 CDEDLO CCC[C@](C)([NH2+]C[C@H](O)c1ccc(C#N)cc1)C(=O)OC ZINC000156445702 528468240 /nfs/dbraw/zinc/46/82/40/528468240.db2.gz KXUSRTLXFKGQPY-HOCLYGCPSA-N 1 2 290.363 1.913 20 30 CDEDLO CCn1cc([C@@H]2C[N@H+](Cc3cc(C#N)n(C)c3)CCO2)cn1 ZINC000191702416 536091260 /nfs/dbraw/zinc/09/12/60/536091260.db2.gz CIWRLICCTCXYON-INIZCTEOSA-N 1 2 299.378 1.687 20 30 CDEDLO CCn1cc([C@@H]2C[N@@H+](Cc3cc(C#N)n(C)c3)CCO2)cn1 ZINC000191702416 536091265 /nfs/dbraw/zinc/09/12/65/536091265.db2.gz CIWRLICCTCXYON-INIZCTEOSA-N 1 2 299.378 1.687 20 30 CDEDLO Cc1nn(C)c(C)c1CNC(=O)N1CCn2cc[nH+]c2C1 ZINC000329803000 538659758 /nfs/dbraw/zinc/65/97/58/538659758.db2.gz KXWNXYXHUSISMJ-UHFFFAOYSA-N 1 2 288.355 1.163 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c(C)nn(C)c2Cl)CC1 ZINC000105870312 1174709010 /nfs/dbraw/zinc/70/90/10/1174709010.db2.gz DCUYJOYQEWNYCI-UHFFFAOYSA-N 1 2 266.776 1.133 20 30 CDEDLO C[N@@H+](CC(=O)NCCC#N)C[C@H]1OCCc2ccccc21 ZINC000725805827 574438283 /nfs/dbraw/zinc/43/82/83/574438283.db2.gz LSTGWTZEKZINSM-OAHLLOKOSA-N 1 2 287.363 1.262 20 30 CDEDLO C[N@H+](CC(=O)NCCC#N)C[C@H]1OCCc2ccccc21 ZINC000725805827 574438285 /nfs/dbraw/zinc/43/82/85/574438285.db2.gz LSTGWTZEKZINSM-OAHLLOKOSA-N 1 2 287.363 1.262 20 30 CDEDLO C=CCN(C(=O)NCC[N@@H+]1CCOC(C)(C)C1)C(C)C ZINC000726260804 574496209 /nfs/dbraw/zinc/49/62/09/574496209.db2.gz IDICFUHBPKCRRH-UHFFFAOYSA-N 1 2 283.416 1.703 20 30 CDEDLO C=CCN(C(=O)NCC[N@H+]1CCOC(C)(C)C1)C(C)C ZINC000726260804 574496211 /nfs/dbraw/zinc/49/62/11/574496211.db2.gz IDICFUHBPKCRRH-UHFFFAOYSA-N 1 2 283.416 1.703 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)nc1 ZINC000728865306 574665115 /nfs/dbraw/zinc/66/51/15/574665115.db2.gz FVDVEHAEFFOQNL-ZDUSSCGKSA-N 1 2 280.331 1.806 20 30 CDEDLO C#Cc1ccc(C(=O)NCCCn2cc[nH+]c2)cn1 ZINC000728958449 574677877 /nfs/dbraw/zinc/67/78/77/574677877.db2.gz LJGGUZVIJFULIG-UHFFFAOYSA-N 1 2 254.293 1.080 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nc(C)cs1 ZINC000730096037 574848763 /nfs/dbraw/zinc/84/87/63/574848763.db2.gz ACBHNLWCSPLSTC-NSHDSACASA-N 1 2 263.366 1.165 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nc(C)cs1 ZINC000730096037 574848764 /nfs/dbraw/zinc/84/87/64/574848764.db2.gz ACBHNLWCSPLSTC-NSHDSACASA-N 1 2 263.366 1.165 20 30 CDEDLO C=C(C)CNC(=S)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000753674883 574912822 /nfs/dbraw/zinc/91/28/22/574912822.db2.gz HUMHAGUEVSBSKP-LBPRGKRZSA-N 1 2 276.409 1.701 20 30 CDEDLO C#CC[NH+]1CCN(Cn2ccc(-c3ccsc3)n2)CC1 ZINC000731656943 575058230 /nfs/dbraw/zinc/05/82/30/575058230.db2.gz OCWVDUOGFAYMPU-UHFFFAOYSA-N 1 2 286.404 1.820 20 30 CDEDLO N#CCOc1ccccc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000733986028 575151927 /nfs/dbraw/zinc/15/19/27/575151927.db2.gz UAPISIJISQXVKH-UHFFFAOYSA-N 1 2 282.303 1.483 20 30 CDEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)c1cncs1 ZINC000761846543 576597201 /nfs/dbraw/zinc/59/72/01/576597201.db2.gz OLMFCQMSPWCPQS-UHFFFAOYSA-N 1 2 285.336 1.955 20 30 CDEDLO CC(=NNc1ccc(-n2cc[nH+]c2)nn1)c1cncs1 ZINC000761846543 576597204 /nfs/dbraw/zinc/59/72/04/576597204.db2.gz OLMFCQMSPWCPQS-UHFFFAOYSA-N 1 2 285.336 1.955 20 30 CDEDLO CCO[C@H]1CC(=[NH+]n2cnnc2)[C@H]1Oc1ccccc1 ZINC000774300608 575196899 /nfs/dbraw/zinc/19/68/99/575196899.db2.gz FYMLJJMQANCTRO-UONOGXRCSA-N 1 2 272.308 1.739 20 30 CDEDLO N#CC1(NC(=O)c2ccnc(-n3cc[nH+]c3)c2)CCOCC1 ZINC000734453406 575347478 /nfs/dbraw/zinc/34/74/78/575347478.db2.gz CJNKBMNSPWCELB-UHFFFAOYSA-N 1 2 297.318 1.070 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cccc(NS(C)(=O)=O)c1 ZINC000769447074 575367202 /nfs/dbraw/zinc/36/72/02/575367202.db2.gz FWAIWCPWIVNBOC-UHFFFAOYSA-N 1 2 290.388 1.517 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cccc(NS(C)(=O)=O)c1 ZINC000769447074 575367205 /nfs/dbraw/zinc/36/72/05/575367205.db2.gz FWAIWCPWIVNBOC-UHFFFAOYSA-N 1 2 290.388 1.517 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)C[C@@H](C)n2cccc2)CC1 ZINC000735054080 575420762 /nfs/dbraw/zinc/42/07/62/575420762.db2.gz NZGGKKBOPOQTBS-CQSZACIVSA-N 1 2 259.353 1.217 20 30 CDEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3cn[nH]c3)CCO2)c1 ZINC000770391837 575444750 /nfs/dbraw/zinc/44/47/50/575444750.db2.gz QJNPQLWYKWDHFH-OAHLLOKOSA-N 1 2 268.320 1.855 20 30 CDEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3cn[nH]c3)CCO2)c1 ZINC000770391837 575444755 /nfs/dbraw/zinc/44/47/55/575444755.db2.gz QJNPQLWYKWDHFH-OAHLLOKOSA-N 1 2 268.320 1.855 20 30 CDEDLO C=CCNc1ncc(C(=O)NCCc2[nH]cc[nH+]2)s1 ZINC000771010455 575529514 /nfs/dbraw/zinc/52/95/14/575529514.db2.gz XFVMCLVZBIWBCG-UHFFFAOYSA-N 1 2 277.353 1.437 20 30 CDEDLO N#CCc1ccccc1C(=O)OCCn1cc[nH+]c1 ZINC000771894542 575633237 /nfs/dbraw/zinc/63/32/37/575633237.db2.gz WEMAUJFLDWTXLE-UHFFFAOYSA-N 1 2 255.277 1.806 20 30 CDEDLO C[C@@H]1C[N@H+](C)CC1=NNS(=O)(=O)c1ccc(F)cc1 ZINC000764729072 575939836 /nfs/dbraw/zinc/93/98/36/575939836.db2.gz NNTBOZSCAWNHSI-SECBINFHSA-N 1 2 285.344 1.042 20 30 CDEDLO C[C@@H]1C[N@@H+](C)CC1=NNS(=O)(=O)c1ccc(F)cc1 ZINC000764729072 575939839 /nfs/dbraw/zinc/93/98/39/575939839.db2.gz NNTBOZSCAWNHSI-SECBINFHSA-N 1 2 285.344 1.042 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)NC2(CCC(CC)CC2)C1=O ZINC000766666028 576119898 /nfs/dbraw/zinc/11/98/98/576119898.db2.gz OPBGCGUYIBIEAJ-VEAWUBTESA-N 1 2 291.395 1.788 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)NC2(CCC(CC)CC2)C1=O ZINC000766666028 576119899 /nfs/dbraw/zinc/11/98/99/576119899.db2.gz OPBGCGUYIBIEAJ-VEAWUBTESA-N 1 2 291.395 1.788 20 30 CDEDLO N#Cc1ccc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000767423303 576191669 /nfs/dbraw/zinc/19/16/69/576191669.db2.gz HSESINFJMVBOIL-GASCZTMLSA-N 1 2 286.331 1.578 20 30 CDEDLO N#Cc1ccc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000767423303 576191671 /nfs/dbraw/zinc/19/16/71/576191671.db2.gz HSESINFJMVBOIL-GASCZTMLSA-N 1 2 286.331 1.578 20 30 CDEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@H](COC)C2)c1=S ZINC000739869187 576392025 /nfs/dbraw/zinc/39/20/25/576392025.db2.gz OHFDTNZTEWKUMZ-LBPRGKRZSA-N 1 2 282.413 1.834 20 30 CDEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@H](COC)C2)c1=S ZINC000739869187 576392027 /nfs/dbraw/zinc/39/20/27/576392027.db2.gz OHFDTNZTEWKUMZ-LBPRGKRZSA-N 1 2 282.413 1.834 20 30 CDEDLO C=CC[N@@H+](CCC(=O)N1CCC[C@H]1C)CC(=O)OCC ZINC000743841272 576656534 /nfs/dbraw/zinc/65/65/34/576656534.db2.gz RMOUCXSUKXCEEP-CYBMUJFWSA-N 1 2 282.384 1.439 20 30 CDEDLO C=CC[N@H+](CCC(=O)N1CCC[C@H]1C)CC(=O)OCC ZINC000743841272 576656536 /nfs/dbraw/zinc/65/65/36/576656536.db2.gz RMOUCXSUKXCEEP-CYBMUJFWSA-N 1 2 282.384 1.439 20 30 CDEDLO C=C(Br)C[N@@H+](C)[C@H](CO)COC(C)C ZINC000763881146 576763022 /nfs/dbraw/zinc/76/30/22/576763022.db2.gz USZSHEQEFWPVLN-SNVBAGLBSA-N 1 2 266.179 1.613 20 30 CDEDLO C=C(Br)C[N@H+](C)[C@H](CO)COC(C)C ZINC000763881146 576763024 /nfs/dbraw/zinc/76/30/24/576763024.db2.gz USZSHEQEFWPVLN-SNVBAGLBSA-N 1 2 266.179 1.613 20 30 CDEDLO C#CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000753896993 576865059 /nfs/dbraw/zinc/86/50/59/576865059.db2.gz IJOQUOBMHRMSOJ-UHFFFAOYSA-N 1 2 262.740 1.617 20 30 CDEDLO C#CC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000753906402 576865648 /nfs/dbraw/zinc/86/56/48/576865648.db2.gz CFIGTPAZNTWWKE-HNNXBMFYSA-N 1 2 299.330 1.276 20 30 CDEDLO C[C@H]1CC(=Nn2c(=S)[nH][nH]c2=S)C[N@@H+]1C1CC1 ZINC000753954162 576869293 /nfs/dbraw/zinc/86/92/93/576869293.db2.gz BRWZGSFYNTWHNJ-LURJTMIESA-N 1 2 269.399 1.316 20 30 CDEDLO C[C@H]1CC(=Nn2c(=S)[nH][nH]c2=S)C[N@H+]1C1CC1 ZINC000753954162 576869294 /nfs/dbraw/zinc/86/92/94/576869294.db2.gz BRWZGSFYNTWHNJ-LURJTMIESA-N 1 2 269.399 1.316 20 30 CDEDLO N#Cc1cccc(OCC(=O)Nc2cc[nH+]cc2O)c1 ZINC000748311720 576904836 /nfs/dbraw/zinc/90/48/36/576904836.db2.gz AYWZHVDHLGMIGQ-UHFFFAOYSA-N 1 2 269.260 1.098 20 30 CDEDLO C=C(C)CNC(=S)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000755399561 576943396 /nfs/dbraw/zinc/94/33/96/576943396.db2.gz VOOJMIPFAFOUFO-LLVKDONJSA-N 1 2 264.398 1.660 20 30 CDEDLO Cn1c[nH+]cc1C=NNC(=S)NCc1ccc(F)cc1 ZINC000755619414 576952332 /nfs/dbraw/zinc/95/23/32/576952332.db2.gz KSMIASHDFLGGGL-UHFFFAOYSA-N 1 2 291.355 1.557 20 30 CDEDLO CCn1cc[nH+]c1CN=Nc1nc(C)cc(OC)n1 ZINC000755752899 576959199 /nfs/dbraw/zinc/95/91/99/576959199.db2.gz KNDWSMICPWTMJR-UHFFFAOYSA-N 1 2 260.301 1.456 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)C[C@H](OCC)C(=C)C)CC1 ZINC000755901889 576967111 /nfs/dbraw/zinc/96/71/11/576967111.db2.gz DHBIIRBLDIIMHG-AWEZNQCLSA-N 1 2 264.369 1.135 20 30 CDEDLO C#CCOCCC(=O)OCc1[nH+]cc(C)c(OC)c1C ZINC000756300549 576984397 /nfs/dbraw/zinc/98/43/97/576984397.db2.gz AMTZRRMUYRHKCF-UHFFFAOYSA-N 1 2 277.320 1.790 20 30 CDEDLO N#Cc1cc(Cl)nc(NCC[NH+]2CCOCC2)c1 ZINC000122644710 1175241760 /nfs/dbraw/zinc/24/17/60/1175241760.db2.gz BOICYPFUYMQDSS-UHFFFAOYSA-N 1 2 266.732 1.351 20 30 CDEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2nn[nH]n2)cs1 ZINC001602807122 1175410239 /nfs/dbraw/zinc/41/02/39/1175410239.db2.gz HRSRPRVSILMCSR-SECBINFHSA-N 1 2 276.369 1.864 20 30 CDEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc(-c2nn[nH]n2)cs1 ZINC001602807122 1175410244 /nfs/dbraw/zinc/41/02/44/1175410244.db2.gz HRSRPRVSILMCSR-SECBINFHSA-N 1 2 276.369 1.864 20 30 CDEDLO C=CC[C@@H]1CCN1C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000890552597 617205865 /nfs/dbraw/zinc/20/58/65/617205865.db2.gz PFLPCXMUPSHNBR-HIFRSBDPSA-N 1 2 278.396 1.807 20 30 CDEDLO C=CC[C@@H]1CCN1C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000890552597 617205866 /nfs/dbraw/zinc/20/58/66/617205866.db2.gz PFLPCXMUPSHNBR-HIFRSBDPSA-N 1 2 278.396 1.807 20 30 CDEDLO C#C[C@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000890656157 617251393 /nfs/dbraw/zinc/25/13/93/617251393.db2.gz UNBSBIQJJBGMCN-OLZOCXBDSA-N 1 2 257.337 1.460 20 30 CDEDLO C#C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000890655110 617252709 /nfs/dbraw/zinc/25/27/09/617252709.db2.gz JRFUIJNLGKYHBQ-YNEHKIRRSA-N 1 2 257.337 1.538 20 30 CDEDLO C#C[C@H]1CCCCN1C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000890655856 617253203 /nfs/dbraw/zinc/25/32/03/617253203.db2.gz RBGNLGQTKHKBEQ-ZSMUJPCHSA-N 1 2 276.380 1.279 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(C#C)cc2)C1 ZINC000951117194 612992211 /nfs/dbraw/zinc/99/22/11/612992211.db2.gz HKDYMFWWWROQBZ-UHFFFAOYSA-N 1 2 280.371 1.838 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccsn2)C1 ZINC000950598595 612992539 /nfs/dbraw/zinc/99/25/39/612992539.db2.gz LFEAWNMKRZJOMA-UHFFFAOYSA-N 1 2 263.366 1.313 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2nccn2CC)C1 ZINC000949986077 612993433 /nfs/dbraw/zinc/99/34/33/612993433.db2.gz PYRSXFSXQRLKJE-UHFFFAOYSA-N 1 2 274.368 1.073 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2cc(C(C)(C)C)on2)CC1 ZINC000981602224 613157338 /nfs/dbraw/zinc/15/73/38/613157338.db2.gz QQLWSERYYKFQIK-UHFFFAOYSA-N 1 2 289.379 1.753 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc(C(C)(C)C)on2)CC1 ZINC000981602224 613157339 /nfs/dbraw/zinc/15/73/39/613157339.db2.gz QQLWSERYYKFQIK-UHFFFAOYSA-N 1 2 289.379 1.753 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C3(CC)CC3)CC2)C1 ZINC000949466682 613210242 /nfs/dbraw/zinc/21/02/42/613210242.db2.gz PUCAASGVXCVAPT-UHFFFAOYSA-N 1 2 290.407 1.503 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C3(CC)CC3)CC2)C1 ZINC000949466682 613210243 /nfs/dbraw/zinc/21/02/43/613210243.db2.gz PUCAASGVXCVAPT-UHFFFAOYSA-N 1 2 290.407 1.503 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC=CCC3)C2)C1 ZINC000972256689 613212327 /nfs/dbraw/zinc/21/23/27/613212327.db2.gz OVUXYOBPGVJKRZ-NVXWUHKLSA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC=CCC3)C2)C1 ZINC000972256689 613212328 /nfs/dbraw/zinc/21/23/28/613212328.db2.gz OVUXYOBPGVJKRZ-NVXWUHKLSA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3[nH]ncc3F)C[C@H]2C1 ZINC000980149594 613292242 /nfs/dbraw/zinc/29/22/42/613292242.db2.gz PSZYLKFMOCCGQX-SRVKXCTJSA-N 1 2 290.342 1.012 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3[nH]ncc3F)C[C@H]2C1 ZINC000980149594 613292243 /nfs/dbraw/zinc/29/22/43/613292243.db2.gz PSZYLKFMOCCGQX-SRVKXCTJSA-N 1 2 290.342 1.012 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cn3cccnc3n2)C1 ZINC000950728241 613296937 /nfs/dbraw/zinc/29/69/37/613296937.db2.gz YTFUXRMGTMVJDC-UHFFFAOYSA-N 1 2 299.378 1.452 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccnc(OC)c2)C1 ZINC000950708361 613297040 /nfs/dbraw/zinc/29/70/40/613297040.db2.gz YUQIXTXJJRMDOU-UHFFFAOYSA-N 1 2 289.379 1.813 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3[nH]ncc3F)C[C@@H]2C1 ZINC000980149576 613308012 /nfs/dbraw/zinc/30/80/12/613308012.db2.gz PSZYLKFMOCCGQX-QJPTWQEYSA-N 1 2 290.342 1.012 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3[nH]ncc3F)C[C@@H]2C1 ZINC000980149576 613308013 /nfs/dbraw/zinc/30/80/13/613308013.db2.gz PSZYLKFMOCCGQX-QJPTWQEYSA-N 1 2 290.342 1.012 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@]2(C)CCO[C@H]2C)CC1 ZINC000949447437 613318808 /nfs/dbraw/zinc/31/88/08/613318808.db2.gz KWYUMKGKQNOXNN-ZFWWWQNUSA-N 1 2 266.385 1.522 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc3ccncc3n2)CC1 ZINC000949333297 613321072 /nfs/dbraw/zinc/32/10/72/613321072.db2.gz UZIPRYLKXRSUTN-UHFFFAOYSA-N 1 2 296.374 1.964 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(OC)no2)C1 ZINC000969521022 613371689 /nfs/dbraw/zinc/37/16/89/613371689.db2.gz BKJVXIZSRRIQGA-SECBINFHSA-N 1 2 299.758 1.486 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnn(C)c2)C1 ZINC000969243331 613372020 /nfs/dbraw/zinc/37/20/20/613372020.db2.gz PAAPVEOGNHECBF-SNVBAGLBSA-N 1 2 282.775 1.223 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2nccn2CC)C1 ZINC000969576196 613372521 /nfs/dbraw/zinc/37/25/21/613372521.db2.gz RPEFXYJDXXFOFZ-NSHDSACASA-N 1 2 296.802 1.706 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC2)C1 ZINC000964604632 613375442 /nfs/dbraw/zinc/37/54/42/613375442.db2.gz WPWRFFUTIJNHSJ-SKDRFNHKSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC2)C1 ZINC000964604632 613375443 /nfs/dbraw/zinc/37/54/43/613375443.db2.gz WPWRFFUTIJNHSJ-SKDRFNHKSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc(C)n[nH]2)C(C)(C)C1 ZINC000972830795 613379910 /nfs/dbraw/zinc/37/99/10/613379910.db2.gz KHQICYSLRSFODF-GFCCVEGCSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)n[nH]2)C(C)(C)C1 ZINC000972830795 613379911 /nfs/dbraw/zinc/37/99/11/613379911.db2.gz KHQICYSLRSFODF-GFCCVEGCSA-N 1 2 296.802 1.911 20 30 CDEDLO C=CCC[NH+]1CC(N(CC)C(=O)c2ncccc2O)C1 ZINC000949951772 613481595 /nfs/dbraw/zinc/48/15/95/613481595.db2.gz AJSOZLJKKLVSAZ-UHFFFAOYSA-N 1 2 275.352 1.510 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C(C)C)C2)C1 ZINC000972582674 613570099 /nfs/dbraw/zinc/57/00/99/613570099.db2.gz PRBGDXZWHUFYOI-WBVHZDCISA-N 1 2 292.423 1.605 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C(C)C)C2)C1 ZINC000972582674 613570101 /nfs/dbraw/zinc/57/01/01/613570101.db2.gz PRBGDXZWHUFYOI-WBVHZDCISA-N 1 2 292.423 1.605 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCC)C2)C1 ZINC000972221022 613570748 /nfs/dbraw/zinc/57/07/48/613570748.db2.gz QLAAIJCKUQJKJE-OAHLLOKOSA-N 1 2 264.369 1.113 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCC)C2)C1 ZINC000972221022 613570750 /nfs/dbraw/zinc/57/07/50/613570750.db2.gz QLAAIJCKUQJKJE-OAHLLOKOSA-N 1 2 264.369 1.113 20 30 CDEDLO C=CC(C)(C)NC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000891268121 617393641 /nfs/dbraw/zinc/39/36/41/617393641.db2.gz LTNRRAZLGPPWSB-CHWSQXEVSA-N 1 2 268.401 1.957 20 30 CDEDLO C=CC(C)(C)NC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000891268121 617393642 /nfs/dbraw/zinc/39/36/42/617393642.db2.gz LTNRRAZLGPPWSB-CHWSQXEVSA-N 1 2 268.401 1.957 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC000950954093 613658250 /nfs/dbraw/zinc/65/82/50/613658250.db2.gz ICDLGLGVPYSYFE-UHFFFAOYSA-N 1 2 299.378 1.599 20 30 CDEDLO C=CC[N@@H+]1CCCN(C(=O)c2snnc2C2CC2)CC1 ZINC000981379862 613700373 /nfs/dbraw/zinc/70/03/73/613700373.db2.gz WKLUTPJTJFJKJR-UHFFFAOYSA-N 1 2 292.408 1.749 20 30 CDEDLO C=CC[N@H+]1CCCN(C(=O)c2snnc2C2CC2)CC1 ZINC000981379862 613700374 /nfs/dbraw/zinc/70/03/74/613700374.db2.gz WKLUTPJTJFJKJR-UHFFFAOYSA-N 1 2 292.408 1.749 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CC[C@@H]2CCCOC2)CC1 ZINC000956952947 613707519 /nfs/dbraw/zinc/70/75/19/613707519.db2.gz RKHSFNMHEBAXHI-AWEZNQCLSA-N 1 2 266.385 1.523 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@H](C)c2cnn(C)c2)CC1 ZINC000949460201 613708759 /nfs/dbraw/zinc/70/87/59/613708759.db2.gz GQZALMCVAWOYJH-ZDUSSCGKSA-N 1 2 276.384 1.244 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCc3cccnc32)CC1 ZINC000949796476 613711020 /nfs/dbraw/zinc/71/10/20/613711020.db2.gz XHTIVOHYFHPANX-OAHLLOKOSA-N 1 2 285.391 1.832 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2COc3ccccc32)CC1 ZINC000957903315 613711703 /nfs/dbraw/zinc/71/17/03/613711703.db2.gz XQZIBONIOPIVQC-CQSZACIVSA-N 1 2 272.348 1.493 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)CCC)CC1 ZINC000957754132 613712733 /nfs/dbraw/zinc/71/27/33/613712733.db2.gz FNQCQZFINMLWDP-CQSZACIVSA-N 1 2 293.411 1.108 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c(C)cc(C)[nH]c2=O)CC1 ZINC000949551551 613714097 /nfs/dbraw/zinc/71/40/97/613714097.db2.gz UCAHUFYPINXIBK-UHFFFAOYSA-N 1 2 275.352 1.348 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@]23CCO[C@@H]2CCCC3)CC1 ZINC000949241328 613714129 /nfs/dbraw/zinc/71/41/29/613714129.db2.gz REEZLDAIVOETHO-ZBFHGGJFSA-N 1 2 278.396 1.666 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(=O)[nH]c(C3CC3)c2)CC1 ZINC000948712925 613715305 /nfs/dbraw/zinc/71/53/05/613715305.db2.gz XGWHNYDJMHRWQD-UHFFFAOYSA-N 1 2 287.363 1.608 20 30 CDEDLO COC1CCC(C[N@@H+]2CCN(C3CC3)[C@H](C#N)C2)CC1 ZINC000892038435 617433590 /nfs/dbraw/zinc/43/35/90/617433590.db2.gz DFIPVPGBCWNRSG-OGVSOVDVSA-N 1 2 277.412 1.864 20 30 CDEDLO COC1CCC(C[N@H+]2CCN(C3CC3)[C@H](C#N)C2)CC1 ZINC000892038435 617433594 /nfs/dbraw/zinc/43/35/94/617433594.db2.gz DFIPVPGBCWNRSG-OGVSOVDVSA-N 1 2 277.412 1.864 20 30 CDEDLO CCc1nc(CO[NH+]=C(N)Cc2cccnc2)no1 ZINC000153893702 617450545 /nfs/dbraw/zinc/45/05/45/617450545.db2.gz RHCGCSALHXJWFR-UHFFFAOYSA-N 1 2 261.285 1.059 20 30 CDEDLO Cc1cc(C#N)nc(NCC[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000892244511 617575882 /nfs/dbraw/zinc/57/58/82/617575882.db2.gz KNSFTQSVUHQHOF-LBPRGKRZSA-N 1 2 260.341 1.394 20 30 CDEDLO Cc1cc(C#N)nc(NCC[N@H+]2CCO[C@@H](C)C2)c1 ZINC000892244511 617575885 /nfs/dbraw/zinc/57/58/85/617575885.db2.gz KNSFTQSVUHQHOF-LBPRGKRZSA-N 1 2 260.341 1.394 20 30 CDEDLO OC[C@H]1CCCN1N=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000841662792 617613987 /nfs/dbraw/zinc/61/39/87/617613987.db2.gz PPYDADOJJHHQLN-OAHLLOKOSA-N 1 2 270.336 1.663 20 30 CDEDLO CNc1cc(N2CCN(c3cnccc3C#N)CC2)nc[nH+]1 ZINC000893954808 618221346 /nfs/dbraw/zinc/22/13/46/618221346.db2.gz JGLDXSXAQFDEKI-UHFFFAOYSA-N 1 2 295.350 1.112 20 30 CDEDLO CNc1cc(N2CCN(c3cnccc3C#N)CC2)[nH+]cn1 ZINC000893954808 618221349 /nfs/dbraw/zinc/22/13/49/618221349.db2.gz JGLDXSXAQFDEKI-UHFFFAOYSA-N 1 2 295.350 1.112 20 30 CDEDLO Cc1cccn2cc(CC(=O)N3CCC[C@H](C#N)C3)[nH+]c12 ZINC000928227230 618585031 /nfs/dbraw/zinc/58/50/31/618585031.db2.gz ZTCBBKLLICSAIT-CYBMUJFWSA-N 1 2 282.347 1.947 20 30 CDEDLO C#C[C@@H]1COCCN1c1cc(C)[nH+]c(C2CCC2)n1 ZINC000894169672 618651176 /nfs/dbraw/zinc/65/11/76/618651176.db2.gz MUEQRUZMWDOFNG-CYBMUJFWSA-N 1 2 257.337 1.891 20 30 CDEDLO C[C@H]1C[N@H+](Cc2csc(C#N)c2)C[C@@]2(CCOC2)O1 ZINC000894180618 618664636 /nfs/dbraw/zinc/66/46/36/618664636.db2.gz DXOIWLIGKLGIEZ-SMDDNHRTSA-N 1 2 278.377 2.000 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2csc(C#N)c2)C[C@@]2(CCOC2)O1 ZINC000894180618 618664638 /nfs/dbraw/zinc/66/46/38/618664638.db2.gz DXOIWLIGKLGIEZ-SMDDNHRTSA-N 1 2 278.377 2.000 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2ccc(Cl)cn2)CCCN1O ZINC000895158133 619373781 /nfs/dbraw/zinc/37/37/81/619373781.db2.gz XBIJAERAQIFGQJ-JTQLQIEISA-N 1 2 255.705 1.205 20 30 CDEDLO CC(C)[C@@H](O[NH+]=C(N)c1ccc(F)cc1)C(=O)N(C)C ZINC000842019147 620856820 /nfs/dbraw/zinc/85/68/20/620856820.db2.gz IMIQILVSLHBEAE-GFCCVEGCSA-N 1 2 281.331 1.575 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800212183 620856918 /nfs/dbraw/zinc/85/69/18/620856918.db2.gz VWPAVGKOYWQFTC-JSGCOSHPSA-N 1 2 255.358 1.853 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800212183 620856921 /nfs/dbraw/zinc/85/69/21/620856921.db2.gz VWPAVGKOYWQFTC-JSGCOSHPSA-N 1 2 255.358 1.853 20 30 CDEDLO C=CCCOCC(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898491003 621761282 /nfs/dbraw/zinc/76/12/82/621761282.db2.gz LCFMOTRJEGDLAB-GFCCVEGCSA-N 1 2 258.337 1.129 20 30 CDEDLO C=CCCOCC(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898491003 621761285 /nfs/dbraw/zinc/76/12/85/621761285.db2.gz LCFMOTRJEGDLAB-GFCCVEGCSA-N 1 2 258.337 1.129 20 30 CDEDLO C[C@@](C#N)(NC(=O)Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC000900724146 623410642 /nfs/dbraw/zinc/41/06/42/623410642.db2.gz LKSANVSLDIMWPP-AWEZNQCLSA-N 1 2 260.341 1.931 20 30 CDEDLO CC1(C)C[N@H+](CCNC(=O)c2ccsc2C#N)CCO1 ZINC000906494706 627287594 /nfs/dbraw/zinc/28/75/94/627287594.db2.gz VXQMLVQXZHMNAT-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO CC1(C)C[N@@H+](CCNC(=O)c2ccsc2C#N)CCO1 ZINC000906494706 627287595 /nfs/dbraw/zinc/28/75/95/627287595.db2.gz VXQMLVQXZHMNAT-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO C#C[C@](C)(CC)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000908529195 628246381 /nfs/dbraw/zinc/24/63/81/628246381.db2.gz KHIFLDGYBZOKOP-DZGCQCFKSA-N 1 2 274.368 1.708 20 30 CDEDLO C#C[C@](C)(CC)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000908529195 628246382 /nfs/dbraw/zinc/24/63/82/628246382.db2.gz KHIFLDGYBZOKOP-DZGCQCFKSA-N 1 2 274.368 1.708 20 30 CDEDLO C=C(C)CONC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000911901473 629600097 /nfs/dbraw/zinc/60/00/97/629600097.db2.gz IPCOHVHXQILZHV-UHFFFAOYSA-N 1 2 293.367 1.058 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ocnc2C(F)F)C1 ZINC000923595585 630704487 /nfs/dbraw/zinc/70/44/87/630704487.db2.gz VVKCFEXVUQEDJA-SECBINFHSA-N 1 2 283.278 1.440 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ocnc2C(F)F)C1 ZINC000923595585 630704488 /nfs/dbraw/zinc/70/44/88/630704488.db2.gz VVKCFEXVUQEDJA-SECBINFHSA-N 1 2 283.278 1.440 20 30 CDEDLO COc1cccc(O)c1/C=N/[C@@H](C)C[NH+]1CCOCC1 ZINC000915979454 631879162 /nfs/dbraw/zinc/87/91/62/631879162.db2.gz PWMOCLSMTMFOAG-SEJMYLSOSA-N 1 2 278.352 1.540 20 30 CDEDLO N#C[C@@H](NC(=O)CNc1cccc[nH+]1)C1CCCC1 ZINC000921556977 633084694 /nfs/dbraw/zinc/08/46/94/633084694.db2.gz SLNRLBFLQPXYPJ-GFCCVEGCSA-N 1 2 258.325 1.692 20 30 CDEDLO CCOC(=O)[C@@H](C#N)Nc1cc(F)c(C[NH+](C)C)c(F)c1 ZINC001170370244 1162345031 /nfs/dbraw/zinc/34/50/31/1162345031.db2.gz CEXQKIMVHCUCJZ-CYBMUJFWSA-N 1 2 297.305 1.894 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@H](C)CC)C1 ZINC001754569187 1159280967 /nfs/dbraw/zinc/28/09/67/1159280967.db2.gz NXLRVNIKCACYSE-GFCCVEGCSA-N 1 2 254.374 1.378 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC001227313182 1160314290 /nfs/dbraw/zinc/31/42/90/1160314290.db2.gz XIINJRODSBXFDL-LBPRGKRZSA-N 1 2 277.280 1.176 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC001227313182 1160314296 /nfs/dbraw/zinc/31/42/96/1160314296.db2.gz XIINJRODSBXFDL-LBPRGKRZSA-N 1 2 277.280 1.176 20 30 CDEDLO C=CCN1CC2(C[NH+](CC/C=C\CC)C2)OCC1=O ZINC001273419959 1161970513 /nfs/dbraw/zinc/97/05/13/1161970513.db2.gz AITFVDJDRXNKAY-WAYWQWQTSA-N 1 2 264.369 1.442 20 30 CDEDLO Nc1cc(COC(=O)C#Cc2ccc3c(c2)OCO3)cc[nH+]1 ZINC000792022635 1162256264 /nfs/dbraw/zinc/25/62/64/1162256264.db2.gz FACVSNAVQABJTI-UHFFFAOYSA-N 1 2 296.282 1.487 20 30 CDEDLO Cc1cccc2[nH+]c(CCNc3nccnc3C#N)cn21 ZINC001612560903 1165519614 /nfs/dbraw/zinc/51/96/14/1165519614.db2.gz FBRKFXNJCLMKGG-UHFFFAOYSA-N 1 2 278.319 1.959 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]c3c2cccc3O)CC1 ZINC001155296546 1167118929 /nfs/dbraw/zinc/11/89/29/1167118929.db2.gz ORVUJCDMSQQFPG-UHFFFAOYSA-N 1 2 285.347 1.817 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](CC=C(Cl)Cl)C[C@H]1C ZINC001206659759 1167285735 /nfs/dbraw/zinc/28/57/35/1167285735.db2.gz QFVBTTCSKCKLTM-OPRDCNLKSA-N 1 2 290.194 1.902 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](CC=C(Cl)Cl)C[C@H]1C ZINC001206659759 1167285741 /nfs/dbraw/zinc/28/57/41/1167285741.db2.gz QFVBTTCSKCKLTM-OPRDCNLKSA-N 1 2 290.194 1.902 20 30 CDEDLO N#Cc1ccc(F)c(-c2noc([C@@H]([NH3+])Cn3cccn3)n2)c1 ZINC001247227709 1167411470 /nfs/dbraw/zinc/41/14/70/1167411470.db2.gz CMKZBOGGVQTQDH-LBPRGKRZSA-N 1 2 298.281 1.644 20 30 CDEDLO Cn1cc[nH+]c1Cc1nnc(N2CCC[C@](C)(C#N)C2)n1C ZINC001650268103 1170906278 /nfs/dbraw/zinc/90/62/78/1170906278.db2.gz WBKMSWHQKKZYRM-OAHLLOKOSA-N 1 2 299.382 1.269 20 30 CDEDLO C[N@H+](Cc1csc(-c2nn[nH]n2)c1)CC(C)(C)C#N ZINC001591151518 1173583596 /nfs/dbraw/zinc/58/35/96/1173583596.db2.gz SRMXULNLCJBZOT-UHFFFAOYSA-N 1 2 276.369 1.910 20 30 CDEDLO C[N@@H+](Cc1csc(-c2nn[nH]n2)c1)CC(C)(C)C#N ZINC001591151518 1173583601 /nfs/dbraw/zinc/58/36/01/1173583601.db2.gz SRMXULNLCJBZOT-UHFFFAOYSA-N 1 2 276.369 1.910 20 30 CDEDLO C#CC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1Cl ZINC001602716535 1175370772 /nfs/dbraw/zinc/37/07/72/1175370772.db2.gz GZJZIJXRYXTOHG-UHFFFAOYSA-N 1 2 261.716 1.585 20 30 CDEDLO C#CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1Cl ZINC001602716535 1175370777 /nfs/dbraw/zinc/37/07/77/1175370777.db2.gz GZJZIJXRYXTOHG-UHFFFAOYSA-N 1 2 261.716 1.585 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2nnc(C)o2)C1 ZINC001713923867 1178850153 /nfs/dbraw/zinc/85/01/53/1178850153.db2.gz QNYDFTAOOAUZEV-YPMHNXCESA-N 1 2 292.383 1.986 20 30 CDEDLO C[C@H](C#N)C(=O)NCCC[N@H+](Cc1cscn1)C1CC1 ZINC001752246973 1184842441 /nfs/dbraw/zinc/84/24/41/1184842441.db2.gz KFHDGJRQCVQQEA-LLVKDONJSA-N 1 2 292.408 1.773 20 30 CDEDLO C[C@H](C#N)C(=O)NCCC[N@@H+](Cc1cscn1)C1CC1 ZINC001752246973 1184842445 /nfs/dbraw/zinc/84/24/45/1184842445.db2.gz KFHDGJRQCVQQEA-LLVKDONJSA-N 1 2 292.408 1.773 20 30 CDEDLO C#CCN1CC[NH+](CCNC(=O)[C@H](C)C(C)(C)C)CC1 ZINC001752367586 1184853671 /nfs/dbraw/zinc/85/36/71/1184853671.db2.gz QJPGVIRVHOCWQY-AWEZNQCLSA-N 1 2 279.428 1.036 20 30 CDEDLO C#CC[NH2+][C@H](C)CCNC(=O)C(F)C(F)(F)F ZINC001753007047 1184992310 /nfs/dbraw/zinc/99/23/10/1184992310.db2.gz YTQUEPLPIJXIQP-HTQZYQBOSA-N 1 2 254.227 1.004 20 30 CDEDLO C#CC[NH2+][C@H](C)CCNC(=O)[C@@H](F)C(F)(F)F ZINC001753007047 1184992314 /nfs/dbraw/zinc/99/23/14/1184992314.db2.gz YTQUEPLPIJXIQP-HTQZYQBOSA-N 1 2 254.227 1.004 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](C)SC ZINC001753042942 1185009434 /nfs/dbraw/zinc/00/94/34/1185009434.db2.gz KHQIIKZPAMAZDR-SECBINFHSA-N 1 2 250.795 1.538 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](C)SC ZINC001753042942 1185009442 /nfs/dbraw/zinc/00/94/42/1185009442.db2.gz KHQIIKZPAMAZDR-SECBINFHSA-N 1 2 250.795 1.538 20 30 CDEDLO C#CCCCCC(=O)NC1C[NH+](C[C@@H]2CC[C@H](C)O2)C1 ZINC001753374481 1185175016 /nfs/dbraw/zinc/17/50/16/1185175016.db2.gz FUQZZILRCZFBOI-ZFWWWQNUSA-N 1 2 278.396 1.548 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001754482486 1185636898 /nfs/dbraw/zinc/63/68/98/1185636898.db2.gz OUFFVDRBXYQDSE-GJZGRUSLSA-N 1 2 292.423 1.796 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001754482486 1185636905 /nfs/dbraw/zinc/63/69/05/1185636905.db2.gz OUFFVDRBXYQDSE-GJZGRUSLSA-N 1 2 292.423 1.796 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)Cc1ccc(CC)cn1 ZINC001754493733 1185642288 /nfs/dbraw/zinc/64/22/88/1185642288.db2.gz FEHQUAHAWYGLFM-HNNXBMFYSA-N 1 2 271.364 1.010 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)Cc1ccc(CC)cn1 ZINC001754493733 1185642291 /nfs/dbraw/zinc/64/22/91/1185642291.db2.gz FEHQUAHAWYGLFM-HNNXBMFYSA-N 1 2 271.364 1.010 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)COc1ccc2c(c1)CCC2 ZINC001754501367 1185646681 /nfs/dbraw/zinc/64/66/81/1185646681.db2.gz RFVRRZIGCLWWMO-INIZCTEOSA-N 1 2 298.386 1.378 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)COc1ccc2c(c1)CCC2 ZINC001754501367 1185646683 /nfs/dbraw/zinc/64/66/83/1185646683.db2.gz RFVRRZIGCLWWMO-INIZCTEOSA-N 1 2 298.386 1.378 20 30 CDEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)CC[C@H](C)CC ZINC001754971953 1185774331 /nfs/dbraw/zinc/77/43/31/1185774331.db2.gz DENHQECCMPORAU-CABCVRRESA-N 1 2 280.412 1.653 20 30 CDEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)CC[C@H](C)CC ZINC001754971953 1185774334 /nfs/dbraw/zinc/77/43/34/1185774334.db2.gz DENHQECCMPORAU-CABCVRRESA-N 1 2 280.412 1.653 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)SC)C2)C1 ZINC001755400136 1185940700 /nfs/dbraw/zinc/94/07/00/1185940700.db2.gz CQHQUOLNSAHNEC-HIFRSBDPSA-N 1 2 298.452 1.617 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)SC)C2)C1 ZINC001755400136 1185940703 /nfs/dbraw/zinc/94/07/03/1185940703.db2.gz CQHQUOLNSAHNEC-HIFRSBDPSA-N 1 2 298.452 1.617 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)c2ccc(F)cc2)nn1 ZINC000849148911 738402692 /nfs/dbraw/zinc/40/26/92/738402692.db2.gz YEOAPBNFFFIJOG-OAHLLOKOSA-N 1 2 288.326 1.264 20 30 CDEDLO COc1ccc(C(N)=[NH+]OC[C@H](C)OC)cc1OC ZINC000181580082 736423695 /nfs/dbraw/zinc/42/36/95/736423695.db2.gz ZBCQRZNBTZSQSL-VIFPVBQESA-N 1 2 268.313 1.376 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]nc1C(C)C ZINC001032492426 736451071 /nfs/dbraw/zinc/45/10/71/736451071.db2.gz IXOMOZXHFKSVMZ-RYUDHWBXSA-N 1 2 272.352 1.065 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]nc1C(C)C ZINC001032492426 736451083 /nfs/dbraw/zinc/45/10/83/736451083.db2.gz IXOMOZXHFKSVMZ-RYUDHWBXSA-N 1 2 272.352 1.065 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(F)ccc1C ZINC000884047132 736541252 /nfs/dbraw/zinc/54/12/52/736541252.db2.gz GGXFOYRJILIWPO-NSHDSACASA-N 1 2 280.299 1.519 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001031463771 736545428 /nfs/dbraw/zinc/54/54/28/736545428.db2.gz YIHBTESWCUHHPZ-OPTZYUCBSA-N 1 2 258.365 1.102 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C)[nH]1 ZINC001039344964 736548749 /nfs/dbraw/zinc/54/87/49/736548749.db2.gz NFPBFGJIHDZBAE-KGLIPLIRSA-N 1 2 286.379 1.420 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C)[nH]1 ZINC001039344964 736548750 /nfs/dbraw/zinc/54/87/50/736548750.db2.gz NFPBFGJIHDZBAE-KGLIPLIRSA-N 1 2 286.379 1.420 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2Cc3ccccc32)C1 ZINC001043704478 736579064 /nfs/dbraw/zinc/57/90/64/736579064.db2.gz LKHBWVWICPATSS-OAHLLOKOSA-N 1 2 256.349 1.655 20 30 CDEDLO C[C@H](C#N)OCC[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000801935500 736586800 /nfs/dbraw/zinc/58/68/00/736586800.db2.gz GCBXXBUEYHNQBF-WDEREUQCSA-N 1 2 279.306 1.483 20 30 CDEDLO C[C@H](C#N)OCC[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000801935500 736586805 /nfs/dbraw/zinc/58/68/05/736586805.db2.gz GCBXXBUEYHNQBF-WDEREUQCSA-N 1 2 279.306 1.483 20 30 CDEDLO N#CC[C@@H](O)C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000931548124 736593606 /nfs/dbraw/zinc/59/36/06/736593606.db2.gz GLAOPFOXVYCJPS-CQSZACIVSA-N 1 2 288.326 1.094 20 30 CDEDLO C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1[nH]ncc1F ZINC001024637451 736627519 /nfs/dbraw/zinc/62/75/19/736627519.db2.gz LBXLDURIRPXGAF-LLVKDONJSA-N 1 2 280.347 1.709 20 30 CDEDLO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1[nH]ncc1F ZINC001024637451 736627522 /nfs/dbraw/zinc/62/75/22/736627522.db2.gz LBXLDURIRPXGAF-LLVKDONJSA-N 1 2 280.347 1.709 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(F)c(COC)c1 ZINC001038677924 736637673 /nfs/dbraw/zinc/63/76/73/736637673.db2.gz WXOJQWWJQCHYDS-CQSZACIVSA-N 1 2 290.338 1.409 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(F)c(COC)c1 ZINC001038677924 736637676 /nfs/dbraw/zinc/63/76/76/736637676.db2.gz WXOJQWWJQCHYDS-CQSZACIVSA-N 1 2 290.338 1.409 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cscc2C)C1 ZINC001035325217 736644575 /nfs/dbraw/zinc/64/45/75/736644575.db2.gz CEJGZDKCKKNNID-CYBMUJFWSA-N 1 2 292.404 1.510 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cscc2C)C1 ZINC001035325217 736644578 /nfs/dbraw/zinc/64/45/78/736644578.db2.gz CEJGZDKCKKNNID-CYBMUJFWSA-N 1 2 292.404 1.510 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2[nH]ccc21 ZINC001038728804 736658272 /nfs/dbraw/zinc/65/82/72/736658272.db2.gz UKZHWMLLSNHAHN-GFCCVEGCSA-N 1 2 267.332 1.605 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2[nH]ccc21 ZINC001038728804 736658275 /nfs/dbraw/zinc/65/82/75/736658275.db2.gz UKZHWMLLSNHAHN-GFCCVEGCSA-N 1 2 267.332 1.605 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCCCN2C(=O)CC)C1 ZINC001030359896 736660462 /nfs/dbraw/zinc/66/04/62/736660462.db2.gz FVOJTHODTVTPDX-AWEZNQCLSA-N 1 2 293.411 1.154 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC1CCCCC1 ZINC000884083227 736667302 /nfs/dbraw/zinc/66/73/02/736667302.db2.gz HJULXYPKBWXQBP-ZDUSSCGKSA-N 1 2 282.384 1.520 20 30 CDEDLO C#CCOCC[N@@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000859442973 736667990 /nfs/dbraw/zinc/66/79/90/736667990.db2.gz XJTWMUYHVDOFHI-UHFFFAOYSA-N 1 2 273.380 1.782 20 30 CDEDLO C#CCOCC[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000859442973 736667992 /nfs/dbraw/zinc/66/79/92/736667992.db2.gz XJTWMUYHVDOFHI-UHFFFAOYSA-N 1 2 273.380 1.782 20 30 CDEDLO C#CCOc1cccc(Cl)c1C[NH2+]CC(=O)N(C)CC ZINC000778177113 736671398 /nfs/dbraw/zinc/67/13/98/736671398.db2.gz OVRPDRFDCNSMDA-UHFFFAOYSA-N 1 2 294.782 1.920 20 30 CDEDLO N#Cc1cccnc1NCCNc1cc(NC2CC2)nc[nH+]1 ZINC000840248256 736683768 /nfs/dbraw/zinc/68/37/68/736683768.db2.gz AOMBWCQKBQLBGE-UHFFFAOYSA-N 1 2 295.350 1.842 20 30 CDEDLO N#Cc1cccnc1NCCNc1cc(NC2CC2)[nH+]cn1 ZINC000840248256 736683773 /nfs/dbraw/zinc/68/37/73/736683773.db2.gz AOMBWCQKBQLBGE-UHFFFAOYSA-N 1 2 295.350 1.842 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001054975360 736689950 /nfs/dbraw/zinc/68/99/50/736689950.db2.gz CTWAZUOASLLZBI-PWSUYJOCSA-N 1 2 292.383 1.527 20 30 CDEDLO C#CC[C@H](CCOC)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000858524802 736767655 /nfs/dbraw/zinc/76/76/55/736767655.db2.gz SSBVRVWJWHAOHX-OAHLLOKOSA-N 1 2 289.379 1.926 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3nccnc3c2)C1 ZINC001031362543 736789807 /nfs/dbraw/zinc/78/98/07/736789807.db2.gz KGDIHKJKFJESCV-UHFFFAOYSA-N 1 2 280.331 1.067 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2coc(OC)n2)C1 ZINC001046514200 736738425 /nfs/dbraw/zinc/73/84/25/736738425.db2.gz FXLLUIZGGJDAMH-ZDUSSCGKSA-N 1 2 299.758 1.630 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2coc(OC)n2)C1 ZINC001046514200 736738432 /nfs/dbraw/zinc/73/84/32/736738432.db2.gz FXLLUIZGGJDAMH-ZDUSSCGKSA-N 1 2 299.758 1.630 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3CCCC3)C[C@H]21 ZINC001074141523 736757968 /nfs/dbraw/zinc/75/79/68/736757968.db2.gz ZDEAJBMUBHBEID-HZPDHXFCSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CCCC3)C[C@H]21 ZINC001074141523 736757974 /nfs/dbraw/zinc/75/79/74/736757974.db2.gz ZDEAJBMUBHBEID-HZPDHXFCSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(Cl)ccc1F ZINC001038481191 736835335 /nfs/dbraw/zinc/83/53/35/736835335.db2.gz SOURIBUNMPDOHY-NSHDSACASA-N 1 2 280.730 1.916 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cl)ccc1F ZINC001038481191 736835338 /nfs/dbraw/zinc/83/53/38/736835338.db2.gz SOURIBUNMPDOHY-NSHDSACASA-N 1 2 280.730 1.916 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1OCC ZINC001017384021 736957421 /nfs/dbraw/zinc/95/74/21/736957421.db2.gz UKXLYICVVHRLGI-XGUBFFRZSA-N 1 2 276.380 1.110 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1OCC ZINC001017384021 736957430 /nfs/dbraw/zinc/95/74/30/736957430.db2.gz UKXLYICVVHRLGI-XGUBFFRZSA-N 1 2 276.380 1.110 20 30 CDEDLO Cn1ncc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)n1 ZINC000815138151 737068902 /nfs/dbraw/zinc/06/89/02/737068902.db2.gz DLNJGJFXHUPRGM-CQSZACIVSA-N 1 2 253.309 1.464 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C1CC(OCC)C1 ZINC001050901437 737096690 /nfs/dbraw/zinc/09/66/90/737096690.db2.gz AYDOOOVQVDZKHS-SLTAFYQDSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CC(OCC)C1 ZINC001050901437 737096695 /nfs/dbraw/zinc/09/66/95/737096695.db2.gz AYDOOOVQVDZKHS-SLTAFYQDSA-N 1 2 296.411 1.195 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(C)n1 ZINC001032522090 738471111 /nfs/dbraw/zinc/47/11/11/738471111.db2.gz SASIQQFTSNXQQP-KBPBESRZSA-N 1 2 269.348 1.230 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(C)n1 ZINC001032522090 738471121 /nfs/dbraw/zinc/47/11/21/738471121.db2.gz SASIQQFTSNXQQP-KBPBESRZSA-N 1 2 269.348 1.230 20 30 CDEDLO CON=CC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000809700793 737172162 /nfs/dbraw/zinc/17/21/62/737172162.db2.gz OEQACGXOYBHPTB-ZDUSSCGKSA-N 1 2 286.335 1.452 20 30 CDEDLO C[C@H](C#N)OCC[NH+]1CCN(Cc2cccs2)CC1 ZINC000801912457 737180600 /nfs/dbraw/zinc/18/06/00/737180600.db2.gz RMVWRWYLYTUKGY-CYBMUJFWSA-N 1 2 279.409 1.794 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2CC3(C2)CCOCC3)C1 ZINC001044180745 737237788 /nfs/dbraw/zinc/23/77/88/737237788.db2.gz KAASHTCZPWRMBW-UHFFFAOYSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC001019237970 737248234 /nfs/dbraw/zinc/24/82/34/737248234.db2.gz GYUBWRAMACSJGI-NSHDSACASA-N 1 2 292.383 1.535 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C)o1 ZINC001050805459 737265616 /nfs/dbraw/zinc/26/56/16/737265616.db2.gz LOPZCIPTRXEDIM-CQSZACIVSA-N 1 2 292.379 1.985 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C)o1 ZINC001050805459 737265620 /nfs/dbraw/zinc/26/56/20/737265620.db2.gz LOPZCIPTRXEDIM-CQSZACIVSA-N 1 2 292.379 1.985 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCc2nonc2C)cc1 ZINC000853654674 737269909 /nfs/dbraw/zinc/26/99/09/737269909.db2.gz JYJFKAQSESTPKH-UHFFFAOYSA-N 1 2 262.269 1.224 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1OCC[C@H]1C ZINC001051117642 737297643 /nfs/dbraw/zinc/29/76/43/737297643.db2.gz GHROHIGRHWSIKI-ILXRZTDVSA-N 1 2 296.411 1.195 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1OCC[C@H]1C ZINC001051117642 737297645 /nfs/dbraw/zinc/29/76/45/737297645.db2.gz GHROHIGRHWSIKI-ILXRZTDVSA-N 1 2 296.411 1.195 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C#C)cc2)C1 ZINC001030777428 737319708 /nfs/dbraw/zinc/31/97/08/737319708.db2.gz XWPBETOQOSUCGL-UHFFFAOYSA-N 1 2 252.317 1.105 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)ccc1OC ZINC001038484201 737328308 /nfs/dbraw/zinc/32/83/08/737328308.db2.gz QPKMZCHJDAKNNY-CQSZACIVSA-N 1 2 286.375 1.831 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)ccc1OC ZINC001038484201 737328311 /nfs/dbraw/zinc/32/83/11/737328311.db2.gz QPKMZCHJDAKNNY-CQSZACIVSA-N 1 2 286.375 1.831 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2CCOC[C@H]2OCC)C1 ZINC001043377902 737366707 /nfs/dbraw/zinc/36/67/07/737366707.db2.gz XTOPPURQIXWGEG-UKRRQHHQSA-N 1 2 296.411 1.147 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnccn3)[C@@H]2C1 ZINC001075503977 737393041 /nfs/dbraw/zinc/39/30/41/737393041.db2.gz OMSHBAANPBAJGL-WCQYABFASA-N 1 2 292.770 1.375 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnccn3)[C@@H]2C1 ZINC001075503977 737393046 /nfs/dbraw/zinc/39/30/46/737393046.db2.gz OMSHBAANPBAJGL-WCQYABFASA-N 1 2 292.770 1.375 20 30 CDEDLO C#CCC[C@@H](O)CNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000799222577 737408636 /nfs/dbraw/zinc/40/86/36/737408636.db2.gz CDHVKJDNFIVMCF-GFCCVEGCSA-N 1 2 290.367 1.352 20 30 CDEDLO CCc1noc([C@@H](C)O[NH+]=C(N)Cc2cccnc2)n1 ZINC000092914816 737517438 /nfs/dbraw/zinc/51/74/38/737517438.db2.gz UKFPJXTZOQOTGV-SECBINFHSA-N 1 2 275.312 1.620 20 30 CDEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(C#N)n1 ZINC000811890782 737556192 /nfs/dbraw/zinc/55/61/92/737556192.db2.gz BELSXLZRSSJWRM-CQSZACIVSA-N 1 2 297.362 1.994 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnn1[C@H](C)CC ZINC001038313143 737579907 /nfs/dbraw/zinc/57/99/07/737579907.db2.gz WOYARQORPQGJQU-KGLIPLIRSA-N 1 2 288.395 1.682 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnn1[C@H](C)CC ZINC001038313143 737579910 /nfs/dbraw/zinc/57/99/10/737579910.db2.gz WOYARQORPQGJQU-KGLIPLIRSA-N 1 2 288.395 1.682 20 30 CDEDLO C=COc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000819491107 737579935 /nfs/dbraw/zinc/57/99/35/737579935.db2.gz XAPXSLQJLSQAHS-CQSZACIVSA-N 1 2 275.352 1.827 20 30 CDEDLO C=COc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000819491107 737579939 /nfs/dbraw/zinc/57/99/39/737579939.db2.gz XAPXSLQJLSQAHS-CQSZACIVSA-N 1 2 275.352 1.827 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1 ZINC001017300575 737593739 /nfs/dbraw/zinc/59/37/39/737593739.db2.gz UTLSBWOJHXTLBX-OKILXGFUSA-N 1 2 255.321 1.004 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1 ZINC001017300575 737593745 /nfs/dbraw/zinc/59/37/45/737593745.db2.gz UTLSBWOJHXTLBX-OKILXGFUSA-N 1 2 255.321 1.004 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)cc1 ZINC001015483766 737516151 /nfs/dbraw/zinc/51/61/51/737516151.db2.gz YNYBFKPMUQMHEZ-CQSZACIVSA-N 1 2 260.312 1.442 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCF)C2)cc1 ZINC001015483766 737516159 /nfs/dbraw/zinc/51/61/59/737516159.db2.gz YNYBFKPMUQMHEZ-CQSZACIVSA-N 1 2 260.312 1.442 20 30 CDEDLO COc1cc(C=NNc2[nH+]ccn2C)ccc1OC(C)=O ZINC000790300057 737717583 /nfs/dbraw/zinc/71/75/83/737717583.db2.gz OOHGUERIGROIQD-UHFFFAOYSA-N 1 2 288.307 1.800 20 30 CDEDLO C[C@H]1CCCCN1C(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000079862386 737717866 /nfs/dbraw/zinc/71/78/66/737717866.db2.gz GLSKYQVBKPUZMR-ZDUSSCGKSA-N 1 2 289.379 1.919 20 30 CDEDLO C=CCc1cc(C[N@H+]2CC(=O)N[C@@H](C)C2)c(O)c(OC)c1 ZINC000840131977 737795993 /nfs/dbraw/zinc/79/59/93/737795993.db2.gz GRFGSRJCHFBQMB-NSHDSACASA-N 1 2 290.363 1.450 20 30 CDEDLO C=CCc1cc(C[N@@H+]2CC(=O)N[C@@H](C)C2)c(O)c(OC)c1 ZINC000840131977 737795997 /nfs/dbraw/zinc/79/59/97/737795997.db2.gz GRFGSRJCHFBQMB-NSHDSACASA-N 1 2 290.363 1.450 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCO[C@H](C(C)C)C2)C1 ZINC001044142704 737807648 /nfs/dbraw/zinc/80/76/48/737807648.db2.gz PXPIZJIJFPXVOC-ZFWWWQNUSA-N 1 2 280.412 1.766 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C3=CCCC3)C[C@@H]21 ZINC001074211868 737833177 /nfs/dbraw/zinc/83/31/77/737833177.db2.gz GEYGBLNLTRDQLY-HOTGVXAUSA-N 1 2 290.407 1.975 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3=CCCC3)C[C@@H]21 ZINC001074211868 737833179 /nfs/dbraw/zinc/83/31/79/737833179.db2.gz GEYGBLNLTRDQLY-HOTGVXAUSA-N 1 2 290.407 1.975 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCCOC[C@H]2CCCO2)ccc1F ZINC000782319585 737841527 /nfs/dbraw/zinc/84/15/27/737841527.db2.gz MVKHKXPGBQBVBS-CYBMUJFWSA-N 1 2 296.342 1.967 20 30 CDEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000932153634 737841803 /nfs/dbraw/zinc/84/18/03/737841803.db2.gz AMDIIIKSHQFDCN-CVEARBPZSA-N 1 2 299.374 1.728 20 30 CDEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC000932153634 737841805 /nfs/dbraw/zinc/84/18/05/737841805.db2.gz AMDIIIKSHQFDCN-CVEARBPZSA-N 1 2 299.374 1.728 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)[C@H]2C[C@@H](C(C)=O)C2(C)C)CC1 ZINC000132236209 737857969 /nfs/dbraw/zinc/85/79/69/737857969.db2.gz JNAQDAKCZHXXTA-LSDHHAIUSA-N 1 2 290.407 1.405 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3ccnc(F)c3)CC2)nc1 ZINC000846958654 737886724 /nfs/dbraw/zinc/88/67/24/737886724.db2.gz DSCWTNRBWQIPTF-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2csnn2)C1 ZINC001046512477 737886880 /nfs/dbraw/zinc/88/68/80/737886880.db2.gz FIEHIWLIDDIGHF-NSHDSACASA-N 1 2 286.788 1.485 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2csnn2)C1 ZINC001046512477 737886882 /nfs/dbraw/zinc/88/68/82/737886882.db2.gz FIEHIWLIDDIGHF-NSHDSACASA-N 1 2 286.788 1.485 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(C)s1 ZINC001038793329 737909606 /nfs/dbraw/zinc/90/96/06/737909606.db2.gz XKKUSUUXVPEFGD-MGPQQGTHSA-N 1 2 288.416 1.984 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(C)s1 ZINC001038793329 737909614 /nfs/dbraw/zinc/90/96/14/737909614.db2.gz XKKUSUUXVPEFGD-MGPQQGTHSA-N 1 2 288.416 1.984 20 30 CDEDLO C#CC[C@@H](CO)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000820581578 737978420 /nfs/dbraw/zinc/97/84/20/737978420.db2.gz WZKRWMUZNJJKHA-JTQLQIEISA-N 1 2 273.340 1.377 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2ccccc21 ZINC000884046914 737950227 /nfs/dbraw/zinc/95/02/27/737950227.db2.gz XDGIBQZTDZXZPD-LBPRGKRZSA-N 1 2 274.320 1.022 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2cccnc21 ZINC001038637167 737953186 /nfs/dbraw/zinc/95/31/86/737953186.db2.gz FNXAZVJNZLMJQF-LSDHHAIUSA-N 1 2 283.375 1.325 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2cccnc21 ZINC001038637167 737953192 /nfs/dbraw/zinc/95/31/92/737953192.db2.gz FNXAZVJNZLMJQF-LSDHHAIUSA-N 1 2 283.375 1.325 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccnc1C1CC1 ZINC001038450335 737966349 /nfs/dbraw/zinc/96/63/49/737966349.db2.gz JFLIQHVWMBNIAL-AWEZNQCLSA-N 1 2 283.375 1.786 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccnc1C1CC1 ZINC001038450335 737966355 /nfs/dbraw/zinc/96/63/55/737966355.db2.gz JFLIQHVWMBNIAL-AWEZNQCLSA-N 1 2 283.375 1.786 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000775343023 738001038 /nfs/dbraw/zinc/00/10/38/738001038.db2.gz USYCSZQWOPJQPM-MNOVXSKESA-N 1 2 266.322 1.927 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2ncc(Cl)s2)C1 ZINC001033260165 738080769 /nfs/dbraw/zinc/08/07/69/738080769.db2.gz UDWKBJSVDBNDHR-VIFPVBQESA-N 1 2 283.784 1.576 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3cc(C)ccn32)C1 ZINC001030363816 738031972 /nfs/dbraw/zinc/03/19/72/738031972.db2.gz LGCYIWHZQKXXJY-UHFFFAOYSA-N 1 2 282.347 1.080 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2nc(CC)no2)C1 ZINC001019236965 738064703 /nfs/dbraw/zinc/06/47/03/738064703.db2.gz KFDTWXVDEAANAK-NSHDSACASA-N 1 2 292.383 1.535 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ncccc2Cl)C1 ZINC001044209921 738090602 /nfs/dbraw/zinc/09/06/02/738090602.db2.gz FIUGKFMHPJFLLU-UHFFFAOYSA-N 1 2 277.755 1.515 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccn3ccccc23)C1 ZINC001035441548 738341122 /nfs/dbraw/zinc/34/11/22/738341122.db2.gz BTVCBSWQTCBPEV-CQSZACIVSA-N 1 2 299.374 1.556 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccn3ccccc23)C1 ZINC001035441548 738341127 /nfs/dbraw/zinc/34/11/27/738341127.db2.gz BTVCBSWQTCBPEV-CQSZACIVSA-N 1 2 299.374 1.556 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCO1 ZINC001024311833 738356032 /nfs/dbraw/zinc/35/60/32/738356032.db2.gz AOKSCEWZLVQCKU-OLZOCXBDSA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCO1 ZINC001024311833 738356034 /nfs/dbraw/zinc/35/60/34/738356034.db2.gz AOKSCEWZLVQCKU-OLZOCXBDSA-N 1 2 286.803 1.889 20 30 CDEDLO CCc1noc(CO[NH+]=C(N)Cc2cccnc2)n1 ZINC000137642300 738373701 /nfs/dbraw/zinc/37/37/01/738373701.db2.gz MDFVAVRNAJXRLU-UHFFFAOYSA-N 1 2 261.285 1.059 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1c(C)noc1C ZINC001032683008 738377769 /nfs/dbraw/zinc/37/77/69/738377769.db2.gz RPMQRDRWYPHRFK-SWHYSGLUSA-N 1 2 287.363 1.313 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1c(C)noc1C ZINC001032683008 738377777 /nfs/dbraw/zinc/37/77/77/738377777.db2.gz RPMQRDRWYPHRFK-SWHYSGLUSA-N 1 2 287.363 1.313 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(F)CCCCC1 ZINC001032717181 738388676 /nfs/dbraw/zinc/38/86/76/738388676.db2.gz VMOPORDPEJEFFU-KBPBESRZSA-N 1 2 278.371 1.967 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(F)CCCCC1 ZINC001032717181 738388682 /nfs/dbraw/zinc/38/86/82/738388682.db2.gz VMOPORDPEJEFFU-KBPBESRZSA-N 1 2 278.371 1.967 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc(C)cn2)C1 ZINC001006836697 738555245 /nfs/dbraw/zinc/55/52/45/738555245.db2.gz VRFAFGCJXCBIDZ-CYBMUJFWSA-N 1 2 296.802 1.525 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc(C)cn2)C1 ZINC001006836697 738555256 /nfs/dbraw/zinc/55/52/56/738555256.db2.gz VRFAFGCJXCBIDZ-CYBMUJFWSA-N 1 2 296.802 1.525 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001035324046 738561743 /nfs/dbraw/zinc/56/17/43/738561743.db2.gz YFUKAQQXDYVJCQ-WCVJEAGWSA-N 1 2 292.423 1.816 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001035324046 738561747 /nfs/dbraw/zinc/56/17/47/738561747.db2.gz YFUKAQQXDYVJCQ-WCVJEAGWSA-N 1 2 292.423 1.816 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c(cn1)CCCC2 ZINC001038488857 738582968 /nfs/dbraw/zinc/58/29/68/738582968.db2.gz HUUAIWSVJREMPA-MRXNPFEDSA-N 1 2 297.402 1.788 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2c(cn1)CCCC2 ZINC001038488857 738582985 /nfs/dbraw/zinc/58/29/85/738582985.db2.gz HUUAIWSVJREMPA-MRXNPFEDSA-N 1 2 297.402 1.788 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1conc1CC ZINC001017906855 738594453 /nfs/dbraw/zinc/59/44/53/738594453.db2.gz DKQBELHZLNNZCC-TXEJJXNPSA-N 1 2 275.352 1.712 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1conc1CC ZINC001017906855 738594461 /nfs/dbraw/zinc/59/44/61/738594461.db2.gz DKQBELHZLNNZCC-TXEJJXNPSA-N 1 2 275.352 1.712 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cn[nH]c2)CC1 ZINC001000470659 738624547 /nfs/dbraw/zinc/62/45/47/738624547.db2.gz OJFNSFRBRZWCBN-UHFFFAOYSA-N 1 2 280.759 1.524 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cn[nH]c2)CC1 ZINC001000470659 738624564 /nfs/dbraw/zinc/62/45/64/738624564.db2.gz OJFNSFRBRZWCBN-UHFFFAOYSA-N 1 2 280.759 1.524 20 30 CDEDLO COc1ccc(C2=NO[C@@H](C[NH2+]CCC#N)C2)cc1F ZINC000819292253 738647105 /nfs/dbraw/zinc/64/71/05/738647105.db2.gz HLEXUFIVGNFSED-LLVKDONJSA-N 1 2 277.299 1.831 20 30 CDEDLO C[C@]1(c2ccccc2)C[N@H+](C[C@H](O)CC#N)CCO1 ZINC000929832446 738670283 /nfs/dbraw/zinc/67/02/83/738670283.db2.gz IKQYCRLHILBPDG-HUUCEWRRSA-N 1 2 260.337 1.509 20 30 CDEDLO C[C@]1(c2ccccc2)C[N@@H+](C[C@H](O)CC#N)CCO1 ZINC000929832446 738670287 /nfs/dbraw/zinc/67/02/87/738670287.db2.gz IKQYCRLHILBPDG-HUUCEWRRSA-N 1 2 260.337 1.509 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Oc1ccccc1 ZINC001032764095 738691683 /nfs/dbraw/zinc/69/16/83/738691683.db2.gz BIBSISLHWBAEDU-JYJNAYRXSA-N 1 2 298.386 1.762 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Oc1ccccc1 ZINC001032764095 738691693 /nfs/dbraw/zinc/69/16/93/738691693.db2.gz BIBSISLHWBAEDU-JYJNAYRXSA-N 1 2 298.386 1.762 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C(C)C)n1 ZINC001038470365 738696164 /nfs/dbraw/zinc/69/61/64/738696164.db2.gz AAHNTCOTHWCKRZ-CYBMUJFWSA-N 1 2 271.364 1.642 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C(C)C)n1 ZINC001038470365 738696168 /nfs/dbraw/zinc/69/61/68/738696168.db2.gz AAHNTCOTHWCKRZ-CYBMUJFWSA-N 1 2 271.364 1.642 20 30 CDEDLO COc1ccc(C2=NO[C@H](C[NH2+]CCC#N)C2)cc1 ZINC000819296206 738708649 /nfs/dbraw/zinc/70/86/49/738708649.db2.gz VOQSIFPUXHLOIX-ZDUSSCGKSA-N 1 2 259.309 1.691 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3c2O[C@@H](C)C3)C1 ZINC001030694277 738742304 /nfs/dbraw/zinc/74/23/04/738742304.db2.gz HYEVWHJGUVAHQE-LBPRGKRZSA-N 1 2 284.359 1.447 20 30 CDEDLO C#CCC[NH+]1CCN(c2nc(C(F)(F)F)ns2)CC1 ZINC000804387795 738799032 /nfs/dbraw/zinc/79/90/32/738799032.db2.gz HSODQQVHFMPPEK-UHFFFAOYSA-N 1 2 290.314 1.702 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3(C)CCC3)C[C@@H]21 ZINC001074315013 738800575 /nfs/dbraw/zinc/80/05/75/738800575.db2.gz OHWGQPYDZGYRRO-GJZGRUSLSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3(C)CCC3)C[C@@H]21 ZINC001074315013 738800577 /nfs/dbraw/zinc/80/05/77/738800577.db2.gz OHWGQPYDZGYRRO-GJZGRUSLSA-N 1 2 290.407 1.502 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ncccn2)[C@@H]1C ZINC000994075820 738800957 /nfs/dbraw/zinc/80/09/57/738800957.db2.gz YARQBRKOJDIWRT-RYUDHWBXSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ncccn2)[C@@H]1C ZINC000994075820 738800962 /nfs/dbraw/zinc/80/09/62/738800962.db2.gz YARQBRKOJDIWRT-RYUDHWBXSA-N 1 2 294.786 1.812 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]cc1C ZINC001032781890 738802061 /nfs/dbraw/zinc/80/20/61/738802061.db2.gz MESGNUQFQUDKIM-STQMWFEESA-N 1 2 257.337 1.245 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]cc1C ZINC001032781890 738802066 /nfs/dbraw/zinc/80/20/66/738802066.db2.gz MESGNUQFQUDKIM-STQMWFEESA-N 1 2 257.337 1.245 20 30 CDEDLO C[C@@H](C#N)OCCN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000801933173 738806085 /nfs/dbraw/zinc/80/60/85/738806085.db2.gz JXSNGGUKUYNWTB-AWEZNQCLSA-N 1 2 289.379 1.438 20 30 CDEDLO N#Cc1ccc(CNC(=O)NCCCCn2cc[nH+]c2)nc1 ZINC000780324562 738813994 /nfs/dbraw/zinc/81/39/94/738813994.db2.gz HAWSSNWGYGAMGJ-UHFFFAOYSA-N 1 2 298.350 1.429 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C2SCCS2)C1 ZINC000923567085 738833196 /nfs/dbraw/zinc/83/31/96/738833196.db2.gz RJUVZPVPQMKQLC-SNVBAGLBSA-N 1 2 270.423 1.006 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C2SCCS2)C1 ZINC000923567085 738833198 /nfs/dbraw/zinc/83/31/98/738833198.db2.gz RJUVZPVPQMKQLC-SNVBAGLBSA-N 1 2 270.423 1.006 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)C)C[C@@H]21 ZINC001074389825 738835150 /nfs/dbraw/zinc/83/51/50/738835150.db2.gz JZIPVPOPUUERIV-KBPBESRZSA-N 1 2 278.396 1.358 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)C)C[C@@H]21 ZINC001074389825 738835154 /nfs/dbraw/zinc/83/51/54/738835154.db2.gz JZIPVPOPUUERIV-KBPBESRZSA-N 1 2 278.396 1.358 20 30 CDEDLO C#CCCCCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000179755181 738836157 /nfs/dbraw/zinc/83/61/57/738836157.db2.gz OYIMGPYBNWUHJE-ZDUSSCGKSA-N 1 2 252.358 1.017 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C)nnc2C)C1 ZINC001042793120 738852787 /nfs/dbraw/zinc/85/27/87/738852787.db2.gz JLVDYVCGHQKMDK-UHFFFAOYSA-N 1 2 274.368 1.426 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001031415329 738858515 /nfs/dbraw/zinc/85/85/15/738858515.db2.gz YJPWMXQJOJMFFK-GFCCVEGCSA-N 1 2 274.339 1.753 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](F)CC)CCO2 ZINC001053376748 739038851 /nfs/dbraw/zinc/03/88/51/739038851.db2.gz ZQXVGFTUBWXYQL-GFCCVEGCSA-N 1 2 270.348 1.224 20 30 CDEDLO C#CCCCS(=O)(=O)Oc1cccc(-n2cc[nH+]c2)c1 ZINC000805008759 738893147 /nfs/dbraw/zinc/89/31/47/738893147.db2.gz BGEWEYUPUGUZTR-UHFFFAOYSA-N 1 2 290.344 1.994 20 30 CDEDLO C#C[C@H](CCC)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000791033172 739071906 /nfs/dbraw/zinc/07/19/06/739071906.db2.gz NDZHBMCUFTUZEL-ZIAGYGMSSA-N 1 2 286.379 1.761 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)C)CO2 ZINC001053989466 739073715 /nfs/dbraw/zinc/07/37/15/739073715.db2.gz GUNUDIPQGXCJKV-LBPRGKRZSA-N 1 2 266.385 1.568 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc(Cl)c1 ZINC001032600127 739087413 /nfs/dbraw/zinc/08/74/13/739087413.db2.gz ZKDUUQVLEFMRNU-GJZGRUSLSA-N 1 2 288.778 1.801 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc(Cl)c1 ZINC001032600127 739087420 /nfs/dbraw/zinc/08/74/20/739087420.db2.gz ZKDUUQVLEFMRNU-GJZGRUSLSA-N 1 2 288.778 1.801 20 30 CDEDLO C#CC1CC[NH+](Cc2nc(COC(C)C)no2)CC1 ZINC000930820888 739088244 /nfs/dbraw/zinc/08/82/44/739088244.db2.gz IEAHOVQGDKZTJN-UHFFFAOYSA-N 1 2 263.341 1.840 20 30 CDEDLO CC#CC[NH+]1CCC(NC(=O)c2n[nH]c3ccccc32)CC1 ZINC001004085257 739198179 /nfs/dbraw/zinc/19/81/79/739198179.db2.gz UQVAGQFTZOLIDF-UHFFFAOYSA-N 1 2 296.374 1.780 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCO[C@H]1CC ZINC001017609975 739093129 /nfs/dbraw/zinc/09/31/29/739093129.db2.gz UGNSDZPBDOQZJA-FZKCQIBNSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCO[C@H]1CC ZINC001017609975 739093132 /nfs/dbraw/zinc/09/31/32/739093132.db2.gz UGNSDZPBDOQZJA-FZKCQIBNSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@H](COCC)C2)cc1 ZINC000862502538 739106157 /nfs/dbraw/zinc/10/61/57/739106157.db2.gz NKOZIOYSWHUNEW-KRWDZBQOSA-N 1 2 289.375 1.936 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCO[C@H](COCC)C2)cc1 ZINC000862502538 739106161 /nfs/dbraw/zinc/10/61/61/739106161.db2.gz NKOZIOYSWHUNEW-KRWDZBQOSA-N 1 2 289.375 1.936 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(CC)nc1C(C)C ZINC001038756820 738900683 /nfs/dbraw/zinc/90/06/83/738900683.db2.gz LMWXUZRHUMJFQD-ZDUSSCGKSA-N 1 2 288.395 1.464 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(CC)nc1C(C)C ZINC001038756820 738900686 /nfs/dbraw/zinc/90/06/86/738900686.db2.gz LMWXUZRHUMJFQD-ZDUSSCGKSA-N 1 2 288.395 1.464 20 30 CDEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C=C(C)C)C2)CC1 ZINC001051976466 738902223 /nfs/dbraw/zinc/90/22/23/738902223.db2.gz DBBNXGPQDMAFKV-MRXNPFEDSA-N 1 2 289.423 1.194 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCNc2ncc(C)cc21 ZINC000857998830 738924644 /nfs/dbraw/zinc/92/46/44/738924644.db2.gz ZZTMZQWHLIQYDA-ZDUSSCGKSA-N 1 2 284.363 1.246 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCNc2ncc(C)cc21 ZINC000857998830 738924649 /nfs/dbraw/zinc/92/46/49/738924649.db2.gz ZZTMZQWHLIQYDA-ZDUSSCGKSA-N 1 2 284.363 1.246 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3n2[C@H](C)CCC3)C1 ZINC001030345993 736406185 /nfs/dbraw/zinc/40/61/85/736406185.db2.gz NTMMXPKZTAKZQS-GFCCVEGCSA-N 1 2 286.379 1.218 20 30 CDEDLO CCN(CC)C(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158241864 736457198 /nfs/dbraw/zinc/45/71/98/736457198.db2.gz SFQGCRXOIHUBCR-UHFFFAOYSA-N 1 2 291.351 1.127 20 30 CDEDLO CCn1c[nH+]c2c1CCN([C@H](C)C(=O)N(C)CCC#N)C2 ZINC000933263852 736553535 /nfs/dbraw/zinc/55/35/35/736553535.db2.gz RDUFHQHQVDODMT-GFCCVEGCSA-N 1 2 289.383 1.022 20 30 CDEDLO N#CC1CC[NH+](CN2C(=O)[C@H](C3CC3)[C@H]2C2CC2)CC1 ZINC000839979395 736555507 /nfs/dbraw/zinc/55/55/07/736555507.db2.gz KUTIXQBNCXMZMN-HUUCEWRRSA-N 1 2 273.380 1.826 20 30 CDEDLO CC(=NN1CC[NH+](C)CC1)c1ccc(Cl)c(N)c1 ZINC000814685641 736556736 /nfs/dbraw/zinc/55/67/36/736556736.db2.gz NZSGKLNNPQTOOJ-UHFFFAOYSA-N 1 2 266.776 1.894 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC001007299954 736559901 /nfs/dbraw/zinc/55/99/01/736559901.db2.gz SIPJXWIPNMSJRL-VHSXEESVSA-N 1 2 278.730 1.975 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC001007299954 736559902 /nfs/dbraw/zinc/55/99/02/736559902.db2.gz SIPJXWIPNMSJRL-VHSXEESVSA-N 1 2 278.730 1.975 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C2CCC2)cnn1C ZINC001038275475 736592808 /nfs/dbraw/zinc/59/28/08/736592808.db2.gz IGMFFMCKVJIZJL-CYBMUJFWSA-N 1 2 286.379 1.125 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C2CCC2)cnn1C ZINC001038275475 736592811 /nfs/dbraw/zinc/59/28/11/736592811.db2.gz IGMFFMCKVJIZJL-CYBMUJFWSA-N 1 2 286.379 1.125 20 30 CDEDLO N#CC[C@@H](O)C[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931796174 736600761 /nfs/dbraw/zinc/60/07/61/736600761.db2.gz DTXFTFKXDDESCD-CJNGLKHVSA-N 1 2 282.347 1.632 20 30 CDEDLO N#CC[C@@H](O)C[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931796174 736600764 /nfs/dbraw/zinc/60/07/64/736600764.db2.gz DTXFTFKXDDESCD-CJNGLKHVSA-N 1 2 282.347 1.632 20 30 CDEDLO C[C@@H](CC(=O)[C@H](C#N)C(=O)NC1CCCC1)n1cc[nH+]c1 ZINC000845452375 736696506 /nfs/dbraw/zinc/69/65/06/736696506.db2.gz UPSRQSUNZCCWOR-AAEUAGOBSA-N 1 2 288.351 1.602 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2ncc(Cl)s2)C1 ZINC001015258500 736802812 /nfs/dbraw/zinc/80/28/12/736802812.db2.gz DVUMSOTUHKXSCG-QMMMGPOBSA-N 1 2 269.757 1.234 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2ncc(Cl)s2)C1 ZINC001015258500 736802813 /nfs/dbraw/zinc/80/28/13/736802813.db2.gz DVUMSOTUHKXSCG-QMMMGPOBSA-N 1 2 269.757 1.234 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC001038639136 736809299 /nfs/dbraw/zinc/80/92/99/736809299.db2.gz AQBDUTYNEGZXBV-CYBMUJFWSA-N 1 2 260.312 1.571 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC001038639136 736809300 /nfs/dbraw/zinc/80/93/00/736809300.db2.gz AQBDUTYNEGZXBV-CYBMUJFWSA-N 1 2 260.312 1.571 20 30 CDEDLO CO[C@@H](C)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004358199 736869909 /nfs/dbraw/zinc/86/99/09/736869909.db2.gz NIBYPZJTUWTBNU-JSGCOSHPSA-N 1 2 279.384 1.248 20 30 CDEDLO CO[C@@H](C)C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004358199 736869911 /nfs/dbraw/zinc/86/99/11/736869911.db2.gz NIBYPZJTUWTBNU-JSGCOSHPSA-N 1 2 279.384 1.248 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C2CCC(F)CC2)C1 ZINC001043760123 736886878 /nfs/dbraw/zinc/88/68/78/736886878.db2.gz PZMWJZDKMCYMJA-UHFFFAOYSA-N 1 2 254.349 1.843 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cnc(Cl)cc1C ZINC000884132811 737007904 /nfs/dbraw/zinc/00/79/04/737007904.db2.gz AZSWTOOZCQWWEU-VIFPVBQESA-N 1 2 297.742 1.429 20 30 CDEDLO Cc1nc(N2CCN(C(=O)[C@H](C)C#N)CC2)c(C)c(C)[nH+]1 ZINC001055742648 737017087 /nfs/dbraw/zinc/01/70/87/737017087.db2.gz WXYYSSIJOCKZDI-SNVBAGLBSA-N 1 2 287.367 1.210 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(F)cc1C ZINC001038941638 737030963 /nfs/dbraw/zinc/03/09/63/737030963.db2.gz CRTBQZSFHDTRMH-CYBMUJFWSA-N 1 2 260.312 1.571 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(F)cc1C ZINC001038941638 737030971 /nfs/dbraw/zinc/03/09/71/737030971.db2.gz CRTBQZSFHDTRMH-CYBMUJFWSA-N 1 2 260.312 1.571 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001015756360 737074939 /nfs/dbraw/zinc/07/49/39/737074939.db2.gz 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ZINC000886776982 737112796 /nfs/dbraw/zinc/11/27/96/737112796.db2.gz VBEJICPOEIMEOM-UHFFFAOYSA-N 1 2 255.358 1.589 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncoc1C1CC1 ZINC001038882038 737228841 /nfs/dbraw/zinc/22/88/41/737228841.db2.gz LRTSFNKQNTWCBS-LBPRGKRZSA-N 1 2 273.336 1.379 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ncoc1C1CC1 ZINC001038882038 737228846 /nfs/dbraw/zinc/22/88/46/737228846.db2.gz LRTSFNKQNTWCBS-LBPRGKRZSA-N 1 2 273.336 1.379 20 30 CDEDLO C=CCCC(=O)NCC1(NC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC001062685918 737272933 /nfs/dbraw/zinc/27/29/33/737272933.db2.gz UHIQVMHHROPUEM-UHFFFAOYSA-N 1 2 290.367 1.074 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncccc1Cl ZINC001038935674 737310180 /nfs/dbraw/zinc/31/01/80/737310180.db2.gz VRFTWXHZMXJTDX-NSHDSACASA-N 1 2 277.755 1.562 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ncccc1Cl ZINC001038935674 737310185 /nfs/dbraw/zinc/31/01/85/737310185.db2.gz VRFTWXHZMXJTDX-NSHDSACASA-N 1 2 277.755 1.562 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@H]1CC)O2 ZINC001053667324 737321436 /nfs/dbraw/zinc/32/14/36/737321436.db2.gz QWVNVGXHJKPYHU-MGPQQGTHSA-N 1 2 278.396 1.568 20 30 CDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cn[nH]c2)CC1 ZINC001004361940 737449429 /nfs/dbraw/zinc/44/94/29/737449429.db2.gz WMENMGCIRWWACI-AWEZNQCLSA-N 1 2 287.367 1.250 20 30 CDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cn[nH]c2)CC1 ZINC001004361940 737449430 /nfs/dbraw/zinc/44/94/30/737449430.db2.gz WMENMGCIRWWACI-AWEZNQCLSA-N 1 2 287.367 1.250 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ncc(C)cc2C)C1 ZINC001043421343 737494293 /nfs/dbraw/zinc/49/42/93/737494293.db2.gz WPABKOXTPIXYCD-UHFFFAOYSA-N 1 2 271.364 1.478 20 30 CDEDLO C#CCOc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000077012411 737503888 /nfs/dbraw/zinc/50/38/88/737503888.db2.gz HYVDYDGRNDYJKI-UHFFFAOYSA-N 1 2 272.348 1.363 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnc3[nH]c(C)nc3c2)C1 ZINC001030417235 737512910 /nfs/dbraw/zinc/51/29/10/737512910.db2.gz LWQPJXRYZSCKNB-UHFFFAOYSA-N 1 2 285.351 1.256 20 30 CDEDLO Cc1cc(C[NH+]2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)on1 ZINC001031621268 737615199 /nfs/dbraw/zinc/61/51/99/737615199.db2.gz HJUURERMKYJQMC-UHFFFAOYSA-N 1 2 299.334 1.045 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccccc2C)C1 ZINC001044278966 737644487 /nfs/dbraw/zinc/64/44/87/737644487.db2.gz HEPSHSRFTAUCJO-UHFFFAOYSA-N 1 2 258.365 1.866 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)cc1 ZINC001038946954 738972863 /nfs/dbraw/zinc/97/28/63/738972863.db2.gz AEHZXUBIDWLMBB-OAHLLOKOSA-N 1 2 256.349 1.822 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)cc1 ZINC001038946954 738972864 /nfs/dbraw/zinc/97/28/64/738972864.db2.gz AEHZXUBIDWLMBB-OAHLLOKOSA-N 1 2 256.349 1.822 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2nc3cnccc3s2)C1 ZINC001015207167 738977179 /nfs/dbraw/zinc/97/71/79/738977179.db2.gz SLZVAUDYLRVVBE-SNVBAGLBSA-N 1 2 286.360 1.129 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2nc3cnccc3s2)C1 ZINC001015207167 738977186 /nfs/dbraw/zinc/97/71/86/738977186.db2.gz SLZVAUDYLRVVBE-SNVBAGLBSA-N 1 2 286.360 1.129 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC(OCC)C1 ZINC001032581528 737785837 /nfs/dbraw/zinc/78/58/37/737785837.db2.gz XTFKZLKHYLCWDQ-GQKFXUNGSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC(OCC)C1 ZINC001032581528 737785840 /nfs/dbraw/zinc/78/58/40/737785840.db2.gz XTFKZLKHYLCWDQ-GQKFXUNGSA-N 1 2 276.380 1.110 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(OC(C)C)nc2)C1 ZINC001030402010 737788128 /nfs/dbraw/zinc/78/81/28/737788128.db2.gz INEBIFLNTRBVLP-UHFFFAOYSA-N 1 2 289.379 1.859 20 30 CDEDLO C[C@H]1[C@H]([NH2+]Cc2cnsn2)CCN1C(=O)C#CC1CC1 ZINC000986251889 737788643 /nfs/dbraw/zinc/78/86/43/737788643.db2.gz BMPZYDALIJHZNQ-GXFFZTMASA-N 1 2 290.392 1.031 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000811924956 737835430 /nfs/dbraw/zinc/83/54/30/737835430.db2.gz SWCDTZIFTRMKDI-ZDUSSCGKSA-N 1 2 261.329 1.255 20 30 CDEDLO C#Cc1ccc(C[NH2+][C@@H](C)c2nnnn2C2CC2)cc1 ZINC000809653073 737862837 /nfs/dbraw/zinc/86/28/37/737862837.db2.gz RQFOZKXDBNPLML-NSHDSACASA-N 1 2 267.336 1.840 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCC[C@H]1CC ZINC000884092302 737919384 /nfs/dbraw/zinc/91/93/84/737919384.db2.gz ZVGXPOQBPWNXGC-FRRDWIJNSA-N 1 2 282.384 1.518 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001030512315 738023380 /nfs/dbraw/zinc/02/33/80/738023380.db2.gz RWSLEBRIAAAWLF-AWEZNQCLSA-N 1 2 260.381 1.947 20 30 CDEDLO C=C1CCC(C(=O)NC2CN(Cc3c[nH+]cn3C)C2)CC1 ZINC001030899977 738033789 /nfs/dbraw/zinc/03/37/89/738033789.db2.gz LIQFOFOWOAUDBG-UHFFFAOYSA-N 1 2 288.395 1.467 20 30 CDEDLO C=C(C)CONC(=O)NCCCCn1cc[nH+]c1 ZINC000845593667 738062766 /nfs/dbraw/zinc/06/27/66/738062766.db2.gz RBGLFCQNWVOOHX-UHFFFAOYSA-N 1 2 252.318 1.470 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2ncc(Cl)s2)C1 ZINC001033260165 738080765 /nfs/dbraw/zinc/08/07/65/738080765.db2.gz UDWKBJSVDBNDHR-VIFPVBQESA-N 1 2 283.784 1.576 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001043813162 738085104 /nfs/dbraw/zinc/08/51/04/738085104.db2.gz JBKDGWWVVDASNV-CZUORRHYSA-N 1 2 260.381 1.733 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000884307166 738105783 /nfs/dbraw/zinc/10/57/83/738105783.db2.gz AMPGLLHFJOONBB-RWMBFGLXSA-N 1 2 282.384 1.470 20 30 CDEDLO O=C(C#CC1CC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000837584884 738172504 /nfs/dbraw/zinc/17/25/04/738172504.db2.gz ASUBTRDZRVNWSU-CQSZACIVSA-N 1 2 256.305 1.475 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccn2ccnc12 ZINC001038807725 738356760 /nfs/dbraw/zinc/35/67/60/738356760.db2.gz XWMACKMQSJKQOQ-CYBMUJFWSA-N 1 2 282.347 1.162 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccn2ccnc12 ZINC001038807725 738356765 /nfs/dbraw/zinc/35/67/65/738356765.db2.gz XWMACKMQSJKQOQ-CYBMUJFWSA-N 1 2 282.347 1.162 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccnn2)CC[C@H]1C ZINC001071923558 739008693 /nfs/dbraw/zinc/00/86/93/739008693.db2.gz KFWDJRALLDSAJZ-VXGBXAGGSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccnn2)CC[C@H]1C ZINC001071923558 739008697 /nfs/dbraw/zinc/00/86/97/739008697.db2.gz KFWDJRALLDSAJZ-VXGBXAGGSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2CC(F)(F)C2)C1 ZINC001031601570 739012253 /nfs/dbraw/zinc/01/22/53/739012253.db2.gz XNDXDHKPXBALDE-UHFFFAOYSA-N 1 2 278.730 1.832 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](CCC)C1 ZINC000884157842 739063040 /nfs/dbraw/zinc/06/30/40/739063040.db2.gz LERWXFNVJUHDQB-STQMWFEESA-N 1 2 282.384 1.472 20 30 CDEDLO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2[nH+]ccn21 ZINC001017731445 739121519 /nfs/dbraw/zinc/12/15/19/739121519.db2.gz BDTIVROEHXINNR-BETUJISGSA-N 1 2 295.346 1.147 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)ccc1C ZINC001038574372 739130673 /nfs/dbraw/zinc/13/06/73/739130673.db2.gz WBZZJHPAWGQGLO-AWEZNQCLSA-N 1 2 274.339 1.962 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(F)ccc1C ZINC001038574372 739130680 /nfs/dbraw/zinc/13/06/80/739130680.db2.gz WBZZJHPAWGQGLO-AWEZNQCLSA-N 1 2 274.339 1.962 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNc2cc(Cl)cc(C#N)n2)C1 ZINC001155195676 1167104562 /nfs/dbraw/zinc/10/45/62/1167104562.db2.gz CEPWHHNIJVPRBH-LLVKDONJSA-N 1 2 266.732 1.349 20 30 CDEDLO C[N@H+]1CCO[C@H](CNc2cc(Cl)cc(C#N)n2)C1 ZINC001155195676 1167104563 /nfs/dbraw/zinc/10/45/63/1167104563.db2.gz CEPWHHNIJVPRBH-LLVKDONJSA-N 1 2 266.732 1.349 20 30 CDEDLO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)C#CC(C)(C)C)C2)o1 ZINC001566662152 1168375570 /nfs/dbraw/zinc/37/55/70/1168375570.db2.gz IFRCNSHWTQYEBJ-CYBMUJFWSA-N 1 2 289.379 1.723 20 30 CDEDLO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)C#CC(C)(C)C)C2)o1 ZINC001566662152 1168375574 /nfs/dbraw/zinc/37/55/74/1168375574.db2.gz IFRCNSHWTQYEBJ-CYBMUJFWSA-N 1 2 289.379 1.723 20 30 CDEDLO C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)CCO1 ZINC001173172524 912297119 /nfs/dbraw/zinc/29/71/19/912297119.db2.gz VBIBMFKQCCERAR-ZMLRMANQSA-N 1 2 253.367 1.828 20 30 CDEDLO C[C@H]1C[C@@H]([N@H+]2CC[C@H]3SC(=O)C=C3C2)CCO1 ZINC001173172524 912297141 /nfs/dbraw/zinc/29/71/41/912297141.db2.gz VBIBMFKQCCERAR-ZMLRMANQSA-N 1 2 253.367 1.828 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@](O)(CF)CC2)c1 ZINC001232673603 912370607 /nfs/dbraw/zinc/37/06/07/912370607.db2.gz JUKMPXFSNUVDRL-HNNXBMFYSA-N 1 2 278.327 1.950 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@](O)(CF)CC2)c1 ZINC001232673603 912370628 /nfs/dbraw/zinc/37/06/28/912370628.db2.gz JUKMPXFSNUVDRL-HNNXBMFYSA-N 1 2 278.327 1.950 20 30 CDEDLO CCOC(=O)[C@H]1CC12CCC([N@H+](C)CC#N)CC2 ZINC001173618958 912650788 /nfs/dbraw/zinc/65/07/88/912650788.db2.gz UZJKKJCSEFGYFJ-MBHSVXNSSA-N 1 2 250.342 1.954 20 30 CDEDLO CCOC(=O)[C@H]1CC12CCC([N@@H+](C)CC#N)CC2 ZINC001173618958 912650796 /nfs/dbraw/zinc/65/07/96/912650796.db2.gz UZJKKJCSEFGYFJ-MBHSVXNSSA-N 1 2 250.342 1.954 20 30 CDEDLO C=C1CC(C)(C(=O)NC[C@H](O)CNc2cc[nH+]c(C)n2)C1 ZINC001106095177 912742400 /nfs/dbraw/zinc/74/24/00/912742400.db2.gz UZURRNIHFUXBTJ-GFCCVEGCSA-N 1 2 290.367 1.030 20 30 CDEDLO N#CC1([NH2+][C@@H]2CCC[C@@H](n3ncnn3)C2)CCCCC1 ZINC001173743813 912777851 /nfs/dbraw/zinc/77/78/51/912777851.db2.gz RGQVLYHUBUGNAG-CHWSQXEVSA-N 1 2 274.372 1.973 20 30 CDEDLO COc1cc([NH+]=C(NO)c2ccccc2N)cnc1OC ZINC001174547581 913231790 /nfs/dbraw/zinc/23/17/90/913231790.db2.gz MFFSBXJZJBNBNW-UHFFFAOYSA-N 1 2 288.307 1.738 20 30 CDEDLO C[N@@H+]1CCCn2nc(C(=O)Nc3cc(C#N)ccn3)cc2C1 ZINC001175035325 913438656 /nfs/dbraw/zinc/43/86/56/913438656.db2.gz GKUILLZKYNCKBL-UHFFFAOYSA-N 1 2 296.334 1.238 20 30 CDEDLO C[N@H+]1CCCn2nc(C(=O)Nc3cc(C#N)ccn3)cc2C1 ZINC001175035325 913438669 /nfs/dbraw/zinc/43/86/69/913438669.db2.gz GKUILLZKYNCKBL-UHFFFAOYSA-N 1 2 296.334 1.238 20 30 CDEDLO COc1cc[nH+]cc1-n1nc(N)c2c1cccc2C#N ZINC001176118393 913967040 /nfs/dbraw/zinc/96/70/40/913967040.db2.gz JWMIDPQWRSJSJR-UHFFFAOYSA-N 1 2 265.276 1.883 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1oncc1C ZINC001480931215 897506244 /nfs/dbraw/zinc/50/62/44/897506244.db2.gz BWINMKXYQOKKJW-UHFFFAOYSA-N 1 2 257.721 1.397 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1oncc1C ZINC001480931215 897506253 /nfs/dbraw/zinc/50/62/53/897506253.db2.gz BWINMKXYQOKKJW-UHFFFAOYSA-N 1 2 257.721 1.397 20 30 CDEDLO CCN(CCNc1cc[nH+]c(C)n1)C(=O)C#CC(C)C ZINC001106747839 914260487 /nfs/dbraw/zinc/26/04/87/914260487.db2.gz VRQSQNKAIHLGDQ-UHFFFAOYSA-N 1 2 274.368 1.705 20 30 CDEDLO N#Cc1ccc2c(c1)CCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001176874409 914324410 /nfs/dbraw/zinc/32/44/10/914324410.db2.gz UCQIJUJTJAWZLA-UHFFFAOYSA-N 1 2 280.331 1.730 20 30 CDEDLO C#CCCCCC(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001125938759 900088187 /nfs/dbraw/zinc/08/81/87/900088187.db2.gz JBKSVFJVMVECKV-NSHDSACASA-N 1 2 278.356 1.338 20 30 CDEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)CC)CC1 ZINC001481464700 900803983 /nfs/dbraw/zinc/80/39/83/900803983.db2.gz NOYIGELQUOVUKD-UHFFFAOYSA-N 1 2 273.808 1.225 20 30 CDEDLO C#CCCCC(=O)NCC[NH2+]Cc1nc(CC(C)C)no1 ZINC001126333021 901555721 /nfs/dbraw/zinc/55/57/21/901555721.db2.gz JKRXDJXTVSTWGE-UHFFFAOYSA-N 1 2 292.383 1.277 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Oc1ccc(C#N)c(F)c1 ZINC001225352972 902725769 /nfs/dbraw/zinc/72/57/69/902725769.db2.gz GJHIRGQKEJOZSB-LLVKDONJSA-N 1 2 264.300 1.797 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cccn1C ZINC001268722125 903024061 /nfs/dbraw/zinc/02/40/61/903024061.db2.gz OADMFAZNKZWYFZ-LLVKDONJSA-N 1 2 269.776 1.828 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cccn1C ZINC001268722125 903024075 /nfs/dbraw/zinc/02/40/75/903024075.db2.gz OADMFAZNKZWYFZ-LLVKDONJSA-N 1 2 269.776 1.828 20 30 CDEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)CC3CC3)c2C1 ZINC001128192001 921160695 /nfs/dbraw/zinc/16/06/95/921160695.db2.gz SEPAHCPUSXUZAU-UHFFFAOYSA-N 1 2 288.395 1.691 20 30 CDEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)CC3CC3)c2C1 ZINC001128192001 921160702 /nfs/dbraw/zinc/16/07/02/921160702.db2.gz SEPAHCPUSXUZAU-UHFFFAOYSA-N 1 2 288.395 1.691 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001188742831 921178148 /nfs/dbraw/zinc/17/81/48/921178148.db2.gz QBQZJSMWSDPIAY-ZDUSSCGKSA-N 1 2 272.348 1.118 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001188742831 921178151 /nfs/dbraw/zinc/17/81/51/921178151.db2.gz QBQZJSMWSDPIAY-ZDUSSCGKSA-N 1 2 272.348 1.118 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)C[C@@H]2C1 ZINC001087973250 906072783 /nfs/dbraw/zinc/07/27/83/906072783.db2.gz QLDPZMFLKREZGG-OUAUKWLOSA-N 1 2 292.276 1.300 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)C[C@@H]2C1 ZINC001087973250 906072787 /nfs/dbraw/zinc/07/27/87/906072787.db2.gz QLDPZMFLKREZGG-OUAUKWLOSA-N 1 2 292.276 1.300 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)C(F)(F)F)C[C@@H]2C1 ZINC001087973250 906072801 /nfs/dbraw/zinc/07/28/01/906072801.db2.gz QLDPZMFLKREZGG-OUAUKWLOSA-N 1 2 292.276 1.300 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)C(F)(F)F)C[C@@H]2C1 ZINC001087973250 906072816 /nfs/dbraw/zinc/07/28/16/906072816.db2.gz QLDPZMFLKREZGG-OUAUKWLOSA-N 1 2 292.276 1.300 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2ccc(C#N)cc2C#N)C1 ZINC001229033718 907814923 /nfs/dbraw/zinc/81/49/23/907814923.db2.gz FYTMVMANPJQXFI-ZDUSSCGKSA-N 1 2 257.293 1.139 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2ccc(C#N)cc2C#N)C1 ZINC001229033718 907814938 /nfs/dbraw/zinc/81/49/38/907814938.db2.gz FYTMVMANPJQXFI-ZDUSSCGKSA-N 1 2 257.293 1.139 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1 ZINC001189322700 921429223 /nfs/dbraw/zinc/42/92/23/921429223.db2.gz BJXAMYDQEYRKOK-UHFFFAOYSA-N 1 2 297.362 1.416 20 30 CDEDLO O=C(C#CC1CC1)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001126899184 909625636 /nfs/dbraw/zinc/62/56/36/909625636.db2.gz JQSSNHZHPQOCRE-UHFFFAOYSA-N 1 2 273.336 1.171 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CCCC#N)C1 ZINC000360465107 921541948 /nfs/dbraw/zinc/54/19/48/921541948.db2.gz CVQUABBYBNIRQM-LBPRGKRZSA-N 1 2 260.341 1.820 20 30 CDEDLO N#Cc1c(F)cccc1NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001093829444 910167992 /nfs/dbraw/zinc/16/79/92/910167992.db2.gz KRPZRNCGWSXBAM-UHFFFAOYSA-N 1 2 287.298 1.191 20 30 CDEDLO C[C@@H](CCCCNCC#N)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171524869 910814382 /nfs/dbraw/zinc/81/43/82/910814382.db2.gz ATHHGLMOROMHDE-LBPRGKRZSA-N 1 2 299.378 1.965 20 30 CDEDLO CC(C)(C)OC(=O)N1C[C@H]([NH+]2CC(CC#N)C2)CC1=O ZINC001171701775 910888146 /nfs/dbraw/zinc/88/81/46/910888146.db2.gz ORYORSWLWWRQKZ-LLVKDONJSA-N 1 2 279.340 1.368 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C1(COC)CCC1 ZINC001483363940 910978174 /nfs/dbraw/zinc/97/81/74/910978174.db2.gz NXOLFWQCDMKTCV-GFCCVEGCSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C1(COC)CCC1 ZINC001483363940 910978187 /nfs/dbraw/zinc/97/81/87/910978187.db2.gz NXOLFWQCDMKTCV-GFCCVEGCSA-N 1 2 288.819 1.992 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C)on2)C1 ZINC001189910370 921714244 /nfs/dbraw/zinc/71/42/44/921714244.db2.gz NQWZTMUSVULYJM-OAHLLOKOSA-N 1 2 289.379 1.819 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C)on2)C1 ZINC001189910370 921714249 /nfs/dbraw/zinc/71/42/49/921714249.db2.gz NQWZTMUSVULYJM-OAHLLOKOSA-N 1 2 289.379 1.819 20 30 CDEDLO O=C(C#Cc1ccccn1)NCc1c[nH+]cn1C1CCC1 ZINC001177806994 914950750 /nfs/dbraw/zinc/95/07/50/914950750.db2.gz HFLZQABWZHLFAH-UHFFFAOYSA-N 1 2 280.331 1.671 20 30 CDEDLO Cc1noc(C[NH+]2CCC(C)(NC(=O)[C@@H](C)C#N)CC2)n1 ZINC001483961738 915248087 /nfs/dbraw/zinc/24/80/87/915248087.db2.gz ARQQBLCGVZXFDA-JTQLQIEISA-N 1 2 291.355 1.008 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([NH2+][C@H](C)c2noc(C)n2)[C@@H]1C ZINC001178324590 915371805 /nfs/dbraw/zinc/37/18/05/915371805.db2.gz TXBLHZMEBLJAFG-MDZLAQPJSA-N 1 2 292.383 1.984 20 30 CDEDLO COCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110223105 915586568 /nfs/dbraw/zinc/58/65/68/915586568.db2.gz AWFPGRNOLCDLOJ-OAGGEKHMSA-N 1 2 299.374 1.426 20 30 CDEDLO COCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110223105 915586574 /nfs/dbraw/zinc/58/65/74/915586574.db2.gz AWFPGRNOLCDLOJ-OAGGEKHMSA-N 1 2 299.374 1.426 20 30 CDEDLO C=CCCC(=O)NCC[NH2+]Cc1nc(-c2ccoc2)no1 ZINC001124631161 936327054 /nfs/dbraw/zinc/32/70/54/936327054.db2.gz DBNBJCLXWAVKHG-UHFFFAOYSA-N 1 2 290.323 1.502 20 30 CDEDLO C[C@H](C#N)C(=O)NCC[NH2+]Cc1nc(-c2ccccc2)no1 ZINC001124903275 936342603 /nfs/dbraw/zinc/34/26/03/936342603.db2.gz QDYZLDNCXPPCAL-LLVKDONJSA-N 1 2 299.334 1.102 20 30 CDEDLO C[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)Nc1ccc(C#N)nc1 ZINC001097793049 936378941 /nfs/dbraw/zinc/37/89/41/936378941.db2.gz WEEOJPHSDVQYHY-NSHDSACASA-N 1 2 298.350 1.226 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc(F)c(C#N)c2)CC1 ZINC001181183143 916893381 /nfs/dbraw/zinc/89/33/81/916893381.db2.gz WAUONPRPJYKUKM-UHFFFAOYSA-N 1 2 287.338 1.570 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)C1CCC1)CCO2 ZINC001053305383 936411805 /nfs/dbraw/zinc/41/18/05/936411805.db2.gz ZTZSYGNHOYELRN-CQSZACIVSA-N 1 2 292.423 1.912 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC13CCC3)CO2 ZINC001053941812 936424139 /nfs/dbraw/zinc/42/41/39/936424139.db2.gz GFLGIPQMBYGKEX-KBPBESRZSA-N 1 2 288.391 1.159 20 30 CDEDLO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1nnc[nH]1 ZINC001054056282 936427029 /nfs/dbraw/zinc/42/70/29/936427029.db2.gz CBMFVQYDCORLBT-CQSZACIVSA-N 1 2 297.362 1.147 20 30 CDEDLO C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1nnc[nH]1 ZINC001054056282 936427030 /nfs/dbraw/zinc/42/70/30/936427030.db2.gz CBMFVQYDCORLBT-CQSZACIVSA-N 1 2 297.362 1.147 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCc2ccoc2)C1 ZINC001107859632 918907481 /nfs/dbraw/zinc/90/74/81/918907481.db2.gz ZKFBULXSOMAEQL-MRXNPFEDSA-N 1 2 292.379 1.605 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCc2ccoc2)C1 ZINC001107859632 918907496 /nfs/dbraw/zinc/90/74/96/918907496.db2.gz ZKFBULXSOMAEQL-MRXNPFEDSA-N 1 2 292.379 1.605 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001077740104 918921874 /nfs/dbraw/zinc/92/18/74/918921874.db2.gz XVRXBXSTHZMOGT-NSHDSACASA-N 1 2 292.383 1.175 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)/C=C(/C)CC)C1 ZINC001107924993 919054501 /nfs/dbraw/zinc/05/45/01/919054501.db2.gz ONPASONQCZJEHN-SYCZXOQXSA-N 1 2 278.396 1.573 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)/C=C(/C)CC)C1 ZINC001107924993 919054515 /nfs/dbraw/zinc/05/45/15/919054515.db2.gz ONPASONQCZJEHN-SYCZXOQXSA-N 1 2 278.396 1.573 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c(C)nn(CC)c2C)CC1 ZINC001138646107 936554632 /nfs/dbraw/zinc/55/46/32/936554632.db2.gz KUXJWMQNCWOPQW-UHFFFAOYSA-N 1 2 260.385 1.271 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C)n1C ZINC001050823404 936565181 /nfs/dbraw/zinc/56/51/81/936565181.db2.gz SIJHRHJVOCVOEG-AWEZNQCLSA-N 1 2 291.395 1.340 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C)n1C ZINC001050823404 936565183 /nfs/dbraw/zinc/56/51/83/936565183.db2.gz SIJHRHJVOCVOEG-AWEZNQCLSA-N 1 2 291.395 1.340 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccccc1O ZINC001050825333 936565555 /nfs/dbraw/zinc/56/55/55/936565555.db2.gz QMBBZMAVJOXMGZ-CYBMUJFWSA-N 1 2 290.363 1.399 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccccc1O ZINC001050825333 936565557 /nfs/dbraw/zinc/56/55/57/936565557.db2.gz QMBBZMAVJOXMGZ-CYBMUJFWSA-N 1 2 290.363 1.399 20 30 CDEDLO N#Cc1nccc(NCc2cccc(Cn3cc[nH+]c3)c2)n1 ZINC001184820520 919294732 /nfs/dbraw/zinc/29/47/32/919294732.db2.gz LYUICRVWMKNBFL-UHFFFAOYSA-N 1 2 290.330 1.627 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001128088464 919855370 /nfs/dbraw/zinc/85/53/70/919855370.db2.gz YOTJZYPCDNMUJW-LLVKDONJSA-N 1 2 292.383 1.913 20 30 CDEDLO N#C[C@@H]1CC[N@H+](Cc2ccccc2N2CCOCC2)C1 ZINC001139506947 936626008 /nfs/dbraw/zinc/62/60/08/936626008.db2.gz HDAYSASBLBSUEK-AWEZNQCLSA-N 1 2 271.364 1.869 20 30 CDEDLO N#C[C@@H]1CC[N@@H+](Cc2ccccc2N2CCOCC2)C1 ZINC001139506947 936626010 /nfs/dbraw/zinc/62/60/10/936626010.db2.gz HDAYSASBLBSUEK-AWEZNQCLSA-N 1 2 271.364 1.869 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccn(C)n2)CC[C@H]1C ZINC001072072487 936697834 /nfs/dbraw/zinc/69/78/34/936697834.db2.gz KYFMAQQSXDCUFD-NEPJUHHUSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccn(C)n2)CC[C@H]1C ZINC001072072487 936697836 /nfs/dbraw/zinc/69/78/36/936697836.db2.gz KYFMAQQSXDCUFD-NEPJUHHUSA-N 1 2 296.802 1.755 20 30 CDEDLO N#Cc1cc(C[NH+]2CCN(c3cncnc3)CC2)ccc1F ZINC001205496524 921892297 /nfs/dbraw/zinc/89/22/97/921892297.db2.gz BEDWEFDOXRDABO-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)c1cccc(C#N)c1F ZINC001190554302 922064546 /nfs/dbraw/zinc/06/45/46/922064546.db2.gz CLCAGMQHJINHAL-UHFFFAOYSA-N 1 2 272.283 1.403 20 30 CDEDLO C=CCC1(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC001190797203 922210896 /nfs/dbraw/zinc/21/08/96/922210896.db2.gz RUIHGTPTEVHYFC-ZDUSSCGKSA-N 1 2 284.425 1.595 20 30 CDEDLO C=CCC1(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC001190797203 922210906 /nfs/dbraw/zinc/21/09/06/922210906.db2.gz RUIHGTPTEVHYFC-ZDUSSCGKSA-N 1 2 284.425 1.595 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc[nH]c2C)[C@@H](O)C1 ZINC001090172572 922438902 /nfs/dbraw/zinc/43/89/02/922438902.db2.gz AVBTUJLUORUXTB-OLZOCXBDSA-N 1 2 297.786 1.241 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c2C)[C@@H](O)C1 ZINC001090172572 922438908 /nfs/dbraw/zinc/43/89/08/922438908.db2.gz AVBTUJLUORUXTB-OLZOCXBDSA-N 1 2 297.786 1.241 20 30 CDEDLO N#CCN1CCCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034270489 922568560 /nfs/dbraw/zinc/56/85/60/922568560.db2.gz HTQBGUICLNXABT-ZDUSSCGKSA-N 1 2 297.362 1.671 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ncccc2C)C1 ZINC001035322157 922964742 /nfs/dbraw/zinc/96/47/42/922964742.db2.gz DNFZCUARGRAKMT-ZDUSSCGKSA-N 1 2 275.352 1.007 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ncccc2C)C1 ZINC001035322157 922964751 /nfs/dbraw/zinc/96/47/51/922964751.db2.gz DNFZCUARGRAKMT-ZDUSSCGKSA-N 1 2 275.352 1.007 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc[nH]c2C)C1 ZINC001035327442 922970647 /nfs/dbraw/zinc/97/06/47/922970647.db2.gz MMNKASKTUVPOGZ-CYBMUJFWSA-N 1 2 277.368 1.330 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc[nH]c2C)C1 ZINC001035327442 922970657 /nfs/dbraw/zinc/97/06/57/922970657.db2.gz MMNKASKTUVPOGZ-CYBMUJFWSA-N 1 2 277.368 1.330 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2csc(C)c2)C1 ZINC001035546490 923000455 /nfs/dbraw/zinc/00/04/55/923000455.db2.gz USMQIQOBRYYIIM-CQSZACIVSA-N 1 2 292.404 1.510 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2csc(C)c2)C1 ZINC001035546490 923000472 /nfs/dbraw/zinc/00/04/72/923000472.db2.gz USMQIQOBRYYIIM-CQSZACIVSA-N 1 2 292.404 1.510 20 30 CDEDLO CN1CCOc2cc(C[N@@H+]3CC[C@@H](C#N)C3)ccc21 ZINC001141144013 936819237 /nfs/dbraw/zinc/81/92/37/936819237.db2.gz SNYHFFLKDRROQC-ZDUSSCGKSA-N 1 2 257.337 1.861 20 30 CDEDLO CN1CCOc2cc(C[N@H+]3CC[C@@H](C#N)C3)ccc21 ZINC001141144013 936819239 /nfs/dbraw/zinc/81/92/39/936819239.db2.gz SNYHFFLKDRROQC-ZDUSSCGKSA-N 1 2 257.337 1.861 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)c2ccco2)CC1 ZINC000837521829 936845604 /nfs/dbraw/zinc/84/56/04/936845604.db2.gz RPCWURLPBHPFRA-LBPRGKRZSA-N 1 2 289.331 1.739 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](CCC)OCC)C1 ZINC001494583882 923827933 /nfs/dbraw/zinc/82/79/33/923827933.db2.gz KJVZTZJAWCYVGG-CYBMUJFWSA-N 1 2 288.819 1.992 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(Cl)no2)C1 ZINC000923552850 923926302 /nfs/dbraw/zinc/92/63/02/923926302.db2.gz DTKYVQAXPDAESC-SECBINFHSA-N 1 2 267.716 1.155 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)no2)C1 ZINC000923552850 923926315 /nfs/dbraw/zinc/92/63/15/923926315.db2.gz DTKYVQAXPDAESC-SECBINFHSA-N 1 2 267.716 1.155 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccoc2CCC)[C@H](OC)C1 ZINC001082324909 924901891 /nfs/dbraw/zinc/90/18/91/924901891.db2.gz HZQFOGRKLINJOI-UKRRQHHQSA-N 1 2 290.363 1.294 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccoc2CCC)[C@H](OC)C1 ZINC001082324909 924901895 /nfs/dbraw/zinc/90/18/95/924901895.db2.gz HZQFOGRKLINJOI-UKRRQHHQSA-N 1 2 290.363 1.294 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)C(C)(C)C)[C@H]2C1 ZINC001083029128 925079360 /nfs/dbraw/zinc/07/93/60/925079360.db2.gz YWUXYRKPAHBLPE-QWHCGFSZSA-N 1 2 294.395 1.089 20 30 CDEDLO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)C(=O)C(C)(C)C)[C@H]2C1 ZINC001083029128 925079369 /nfs/dbraw/zinc/07/93/69/925079369.db2.gz YWUXYRKPAHBLPE-QWHCGFSZSA-N 1 2 294.395 1.089 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C3CCC(F)CC3)[C@H]2C1 ZINC001083183939 925116197 /nfs/dbraw/zinc/11/61/97/925116197.db2.gz GJBHPTBKJFJJHC-PFSRBDOWSA-N 1 2 294.370 1.060 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CCC(F)CC3)[C@H]2C1 ZINC001083183939 925116202 /nfs/dbraw/zinc/11/62/02/925116202.db2.gz GJBHPTBKJFJJHC-PFSRBDOWSA-N 1 2 294.370 1.060 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)[C@@H]3C2)on1 ZINC001084235719 925197409 /nfs/dbraw/zinc/19/74/09/925197409.db2.gz LNFNBHFKPHXRPP-ZKYQVNSYSA-N 1 2 288.351 1.175 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)[C@@H]3C2)on1 ZINC001084235719 925197416 /nfs/dbraw/zinc/19/74/16/925197416.db2.gz LNFNBHFKPHXRPP-ZKYQVNSYSA-N 1 2 288.351 1.175 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)CC(C)C)c1nccn12 ZINC001101605625 936993908 /nfs/dbraw/zinc/99/39/08/936993908.db2.gz AZLWUMIXNCKBQS-ZDUSSCGKSA-N 1 2 288.395 1.687 20 30 CDEDLO CN(CCNc1ncccc1C#N)C(=O)CCc1[nH]cc[nH+]1 ZINC001101567323 936989388 /nfs/dbraw/zinc/98/93/88/936989388.db2.gz GRSUAVCPGWOYBR-UHFFFAOYSA-N 1 2 298.350 1.179 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](F)CC)c1nccn12 ZINC001101636019 936995955 /nfs/dbraw/zinc/99/59/55/936995955.db2.gz YUNZSPHEGIXRSK-RYUDHWBXSA-N 1 2 292.358 1.389 20 30 CDEDLO COCC#CC(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC001119649309 925459612 /nfs/dbraw/zinc/45/96/12/925459612.db2.gz JWNXIAOXMKTIKZ-UHFFFAOYSA-N 1 2 284.359 1.123 20 30 CDEDLO COCC#CC(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC001119649309 925459617 /nfs/dbraw/zinc/45/96/17/925459617.db2.gz JWNXIAOXMKTIKZ-UHFFFAOYSA-N 1 2 284.359 1.123 20 30 CDEDLO C[C@@H](C(=O)N[C@@H](C#N)C1CCCC1)[NH+]1CCSCC1 ZINC001119667263 925466117 /nfs/dbraw/zinc/46/61/17/925466117.db2.gz KUJJSRCMUPCZSW-AAEUAGOBSA-N 1 2 281.425 1.622 20 30 CDEDLO COc1ccccc1[C@H](CNC(=O)[C@@H](C)C#N)[NH2+]CCF ZINC001198616550 925478541 /nfs/dbraw/zinc/47/85/41/925478541.db2.gz ITAREBOEJKKYTB-AAEUAGOBSA-N 1 2 293.342 1.571 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccs1 ZINC001085468592 926022699 /nfs/dbraw/zinc/02/26/99/926022699.db2.gz WALSAFSHDDFASB-LBPRGKRZSA-N 1 2 262.378 1.918 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccs1 ZINC001085468592 926022705 /nfs/dbraw/zinc/02/27/05/926022705.db2.gz WALSAFSHDDFASB-LBPRGKRZSA-N 1 2 262.378 1.918 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnns1 ZINC001085501157 926079857 /nfs/dbraw/zinc/07/98/57/926079857.db2.gz UKALCUBLQVFFNA-SNVBAGLBSA-N 1 2 266.370 1.261 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnns1 ZINC001085501157 926079861 /nfs/dbraw/zinc/07/98/61/926079861.db2.gz UKALCUBLQVFFNA-SNVBAGLBSA-N 1 2 266.370 1.261 20 30 CDEDLO Cc1nc(N2CC[C@@H](CCNC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001102324938 937052438 /nfs/dbraw/zinc/05/24/38/937052438.db2.gz XEMGWRNBCFJTMH-OAHLLOKOSA-N 1 2 298.390 1.531 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1[nH]cnc1C(C)(C)C ZINC001085606821 926207226 /nfs/dbraw/zinc/20/72/26/926207226.db2.gz ZBLQZONNNVIIOF-LBPRGKRZSA-N 1 2 288.395 1.487 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1[nH]cnc1C(C)(C)C ZINC001085606821 926207237 /nfs/dbraw/zinc/20/72/37/926207237.db2.gz ZBLQZONNNVIIOF-LBPRGKRZSA-N 1 2 288.395 1.487 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2ccccc2n1 ZINC001085640139 926239434 /nfs/dbraw/zinc/23/94/34/926239434.db2.gz CRBPGBBVYOKYBT-CYBMUJFWSA-N 1 2 294.358 1.409 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2ccccc2n1 ZINC001085640139 926239438 /nfs/dbraw/zinc/23/94/38/926239438.db2.gz CRBPGBBVYOKYBT-CYBMUJFWSA-N 1 2 294.358 1.409 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2c[nH]ccc-2n1 ZINC001085673094 926274155 /nfs/dbraw/zinc/27/41/55/926274155.db2.gz PXUGVFPPPBYBMQ-AWEZNQCLSA-N 1 2 296.374 1.733 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2c[nH]ccc-2n1 ZINC001085673094 926274162 /nfs/dbraw/zinc/27/41/62/926274162.db2.gz PXUGVFPPPBYBMQ-AWEZNQCLSA-N 1 2 296.374 1.733 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(COC)cs1 ZINC001085701212 926301242 /nfs/dbraw/zinc/30/12/42/926301242.db2.gz JDEQWXSVDBCCDP-ZDUSSCGKSA-N 1 2 292.404 1.674 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(COC)cs1 ZINC001085701212 926301251 /nfs/dbraw/zinc/30/12/51/926301251.db2.gz JDEQWXSVDBCCDP-ZDUSSCGKSA-N 1 2 292.404 1.674 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc2ccc(C)cn21 ZINC001085718381 926322104 /nfs/dbraw/zinc/32/21/04/926322104.db2.gz PZAKIBSPJVQEKR-AWEZNQCLSA-N 1 2 296.374 1.422 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc2ccc(C)cn21 ZINC001085718381 926322116 /nfs/dbraw/zinc/32/21/16/926322116.db2.gz PZAKIBSPJVQEKR-AWEZNQCLSA-N 1 2 296.374 1.422 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2c1O[C@H](C)C2 ZINC001085730489 926332016 /nfs/dbraw/zinc/33/20/16/926332016.db2.gz ZMMZYXBHYVFXOO-UKRRQHHQSA-N 1 2 298.386 1.790 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2c1O[C@H](C)C2 ZINC001085730489 926332024 /nfs/dbraw/zinc/33/20/24/926332024.db2.gz ZMMZYXBHYVFXOO-UKRRQHHQSA-N 1 2 298.386 1.790 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(F)ccc1C ZINC001085746190 926347571 /nfs/dbraw/zinc/34/75/71/926347571.db2.gz ALPNWSQPDKOSAS-AWEZNQCLSA-N 1 2 274.339 1.914 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(F)ccc1C ZINC001085746190 926347583 /nfs/dbraw/zinc/34/75/83/926347583.db2.gz ALPNWSQPDKOSAS-AWEZNQCLSA-N 1 2 274.339 1.914 20 30 CDEDLO C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2[nH]nnc2c1 ZINC001085966311 926549399 /nfs/dbraw/zinc/54/93/99/926549399.db2.gz HDGUFXQGFMBMOE-ZDUSSCGKSA-N 1 2 299.378 1.680 20 30 CDEDLO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2[nH]nnc2c1 ZINC001085966311 926549403 /nfs/dbraw/zinc/54/94/03/926549403.db2.gz HDGUFXQGFMBMOE-ZDUSSCGKSA-N 1 2 299.378 1.680 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(C)on1 ZINC001439301716 927277402 /nfs/dbraw/zinc/27/74/02/927277402.db2.gz IKZVUWYKJUDKAH-VIFPVBQESA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc(C)on1 ZINC001439301716 927277411 /nfs/dbraw/zinc/27/74/11/927277411.db2.gz IKZVUWYKJUDKAH-VIFPVBQESA-N 1 2 271.748 1.786 20 30 CDEDLO CN1CC2(C[NH+](CCCc3cccc(C#N)c3)C2)OCC1=O ZINC001273439503 927333185 /nfs/dbraw/zinc/33/31/85/927333185.db2.gz LZHDCEWISBZFMG-UHFFFAOYSA-N 1 2 299.374 1.034 20 30 CDEDLO C#CCOCCN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000851784067 927627007 /nfs/dbraw/zinc/62/70/07/927627007.db2.gz FXDNPBJEMSIEOK-HNNXBMFYSA-N 1 2 273.380 1.410 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCOC(C)C)C1 ZINC001108436302 927657106 /nfs/dbraw/zinc/65/71/06/927657106.db2.gz LRVOGWHERIWSFU-INIZCTEOSA-N 1 2 298.427 1.585 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCOC(C)C)C1 ZINC001108436302 927657111 /nfs/dbraw/zinc/65/71/11/927657111.db2.gz LRVOGWHERIWSFU-INIZCTEOSA-N 1 2 298.427 1.585 20 30 CDEDLO Cc1ccc2ncnc(N3CC[NH2+]C[C@@H]3C#N)c2c1 ZINC001156320866 928044774 /nfs/dbraw/zinc/04/47/74/928044774.db2.gz GJGZJOQRRIGDQE-NSHDSACASA-N 1 2 253.309 1.240 20 30 CDEDLO C#CC[C@H]([NH2+][C@@H]1CCCN(C(=O)OCC)CC1)C(=O)OC ZINC001169662308 928312171 /nfs/dbraw/zinc/31/21/71/928312171.db2.gz QHLCCUSQUYCWEL-OLZOCXBDSA-N 1 2 296.367 1.152 20 30 CDEDLO N#Cc1cc(C(=O)N2CCc3cc[nH+]c(N)c3C2)c[nH]1 ZINC001150701709 937246664 /nfs/dbraw/zinc/24/66/64/937246664.db2.gz OTJQBWFLHFNRJC-UHFFFAOYSA-N 1 2 267.292 1.062 20 30 CDEDLO C=CCCC(=O)N[C@@]1(C)CCN(c2cc[nH+]c(C)n2)C1 ZINC001110712679 928631165 /nfs/dbraw/zinc/63/11/65/928631165.db2.gz NLHPXDFJOAZDDG-HNNXBMFYSA-N 1 2 274.368 1.836 20 30 CDEDLO Cc1nc(NC[C@@H](NC(=O)[C@H](C)C#N)C2CC2)cc[nH+]1 ZINC001109795258 929051676 /nfs/dbraw/zinc/05/16/76/929051676.db2.gz ANPCNHNQRARALB-BXKDBHETSA-N 1 2 273.340 1.251 20 30 CDEDLO C=CCCC(=O)N1CC[NH+](CCOCC2CCC2)CC1 ZINC001112688792 929330314 /nfs/dbraw/zinc/33/03/14/929330314.db2.gz YXMVSQRZRKCZCX-UHFFFAOYSA-N 1 2 280.412 1.914 20 30 CDEDLO C=C[C@@H](O)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000814551106 929761012 /nfs/dbraw/zinc/76/10/12/929761012.db2.gz QFGJFRLNXQOGQP-CQSZACIVSA-N 1 2 272.304 1.771 20 30 CDEDLO CC[N@H+](Cc1nocc1C)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152413361 937359980 /nfs/dbraw/zinc/35/99/80/937359980.db2.gz NVOKEICKNNHNAB-CMPLNLGQSA-N 1 2 278.356 1.469 20 30 CDEDLO CC[N@@H+](Cc1nocc1C)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152413361 937359983 /nfs/dbraw/zinc/35/99/83/937359983.db2.gz NVOKEICKNNHNAB-CMPLNLGQSA-N 1 2 278.356 1.469 20 30 CDEDLO C#CC1(F)CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000881943716 929922457 /nfs/dbraw/zinc/92/24/57/929922457.db2.gz AJOHMPIUKLCHML-UHFFFAOYSA-N 1 2 271.295 1.369 20 30 CDEDLO C#CC[C@H](CO)[NH2+]Cc1csc(N(C(C)=O)C2CC2)n1 ZINC000883123801 930145299 /nfs/dbraw/zinc/14/52/99/930145299.db2.gz LPUREKJRAHVNKL-LLVKDONJSA-N 1 2 293.392 1.132 20 30 CDEDLO C#CC1(NC(=O)N[C@H](C)Cn2cc[nH+]c2)CCCC1 ZINC000883143568 930150620 /nfs/dbraw/zinc/15/06/20/930150620.db2.gz OIUMZOUXRJWEDL-GFCCVEGCSA-N 1 2 260.341 1.517 20 30 CDEDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccc(C#N)cc1 ZINC000816856248 930372839 /nfs/dbraw/zinc/37/28/39/930372839.db2.gz BZFGSPZHILPSBM-SNVBAGLBSA-N 1 2 254.293 1.701 20 30 CDEDLO C#CC[NH2+]CCCC[C@H](C)NC(=O)C(F)C(F)(F)F ZINC001170894005 930688829 /nfs/dbraw/zinc/68/88/29/930688829.db2.gz GPUSDAXXDRZOFE-VHSXEESVSA-N 1 2 282.281 1.785 20 30 CDEDLO C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC001170894005 930688834 /nfs/dbraw/zinc/68/88/34/930688834.db2.gz GPUSDAXXDRZOFE-VHSXEESVSA-N 1 2 282.281 1.785 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001490815378 930739746 /nfs/dbraw/zinc/73/97/46/930739746.db2.gz YJTUANNEGBICSD-NSHDSACASA-N 1 2 264.329 1.035 20 30 CDEDLO C#CC[N@H+](CC1CC1)CN1C(=O)C[C@]2(CCSC2)C1=O ZINC001116372353 937444855 /nfs/dbraw/zinc/44/48/55/937444855.db2.gz PNACXQINGLMWHZ-HNNXBMFYSA-N 1 2 292.404 1.171 20 30 CDEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)C[C@]2(CCSC2)C1=O ZINC001116372353 937444858 /nfs/dbraw/zinc/44/48/58/937444858.db2.gz PNACXQINGLMWHZ-HNNXBMFYSA-N 1 2 292.404 1.171 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@@H]3C[C@@H]3C2)c(C#N)c1C ZINC000886330080 930864598 /nfs/dbraw/zinc/86/45/98/930864598.db2.gz NBSZTKUAAUIYLZ-PHIMTYICSA-N 1 2 259.309 1.658 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2C[C@@H]3C[C@@H]3C2)c(C#N)c1C ZINC000886330080 930864610 /nfs/dbraw/zinc/86/46/10/930864610.db2.gz NBSZTKUAAUIYLZ-PHIMTYICSA-N 1 2 259.309 1.658 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2nnc(C)n2C2CC2)CC1 ZINC000886763873 930956274 /nfs/dbraw/zinc/95/62/74/930956274.db2.gz GWTZGAHYXKDDNC-UHFFFAOYSA-N 1 2 276.384 1.824 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3CCO[C@@](C)(C#N)C3)ccn12 ZINC000887691064 931200581 /nfs/dbraw/zinc/20/05/81/931200581.db2.gz ZEQYNOZSSPCVAD-HNNXBMFYSA-N 1 2 284.319 1.397 20 30 CDEDLO N#Cc1ccc(CN2CC3(CC[N@@H+]3Cc3ccc[nH]3)C2)cn1 ZINC001275296117 931729226 /nfs/dbraw/zinc/72/92/26/931729226.db2.gz QYEISIWEVPJEFG-UHFFFAOYSA-N 1 2 293.374 1.742 20 30 CDEDLO N#Cc1ccc(CN2CC3(CC[N@H+]3Cc3ccc[nH]3)C2)cn1 ZINC001275296117 931729232 /nfs/dbraw/zinc/72/92/32/931729232.db2.gz QYEISIWEVPJEFG-UHFFFAOYSA-N 1 2 293.374 1.742 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CC(=O)N3CCC[C@@H]3C2)cc1 ZINC001144576125 931909511 /nfs/dbraw/zinc/90/95/11/931909511.db2.gz BAFZIOJHCCLBTM-OAHLLOKOSA-N 1 2 254.333 1.475 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CC(=O)N3CCC[C@@H]3C2)cc1 ZINC001144576125 931909515 /nfs/dbraw/zinc/90/95/15/931909515.db2.gz BAFZIOJHCCLBTM-OAHLLOKOSA-N 1 2 254.333 1.475 20 30 CDEDLO CCOC(=O)C[N@H+](C)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171210070 931970559 /nfs/dbraw/zinc/97/05/59/931970559.db2.gz PXAVLBDJTVUOGC-LBPRGKRZSA-N 1 2 260.337 1.984 20 30 CDEDLO CCOC(=O)C[N@@H+](C)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171210070 931970563 /nfs/dbraw/zinc/97/05/63/931970563.db2.gz PXAVLBDJTVUOGC-LBPRGKRZSA-N 1 2 260.337 1.984 20 30 CDEDLO Cc1nc(NC2(CNC(=O)c3cc(C#N)c[nH]3)CC2)cc[nH+]1 ZINC001110117227 932181993 /nfs/dbraw/zinc/18/19/93/932181993.db2.gz QYMFABNCVYIUDU-UHFFFAOYSA-N 1 2 296.334 1.359 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(CC2CC2)[nH]n1 ZINC000830882414 932527644 /nfs/dbraw/zinc/52/76/44/932527644.db2.gz YLTSMZPNCRHFMT-ZDUSSCGKSA-N 1 2 272.352 1.398 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(CC2CC2)[nH]n1 ZINC000830882414 932527649 /nfs/dbraw/zinc/52/76/49/932527649.db2.gz YLTSMZPNCRHFMT-ZDUSSCGKSA-N 1 2 272.352 1.398 20 30 CDEDLO C=CC[NH+]1CCN([C@H]2CC[C@H](C(=O)OCC)C2)CC1 ZINC001257064760 932739853 /nfs/dbraw/zinc/73/98/53/932739853.db2.gz XNDYKAAMKLRTAQ-KBPBESRZSA-N 1 2 266.385 1.522 20 30 CDEDLO CC#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21 ZINC001114711496 934932696 /nfs/dbraw/zinc/93/26/96/934932696.db2.gz VZBACAUEXCSSDW-HALDLXJZSA-N 1 2 298.390 1.217 20 30 CDEDLO CC#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21 ZINC001114711496 934932700 /nfs/dbraw/zinc/93/27/00/934932700.db2.gz VZBACAUEXCSSDW-HALDLXJZSA-N 1 2 298.390 1.217 20 30 CDEDLO N#Cc1cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cs1 ZINC001412856414 935061385 /nfs/dbraw/zinc/06/13/85/935061385.db2.gz PUNWBLDPAFZATK-JTQLQIEISA-N 1 2 272.333 1.561 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCCC[C@H]1C[NH2+]Cc1cnsn1 ZINC000959920831 935128747 /nfs/dbraw/zinc/12/87/47/935128747.db2.gz SSIYINDWDKLEKP-PWSUYJOCSA-N 1 2 293.396 1.168 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cccc1 ZINC001018100105 935660220 /nfs/dbraw/zinc/66/02/20/935660220.db2.gz XBSZOYDCWPAPLD-GASCZTMLSA-N 1 2 271.364 1.187 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cccc1 ZINC001018100105 935660222 /nfs/dbraw/zinc/66/02/22/935660222.db2.gz XBSZOYDCWPAPLD-GASCZTMLSA-N 1 2 271.364 1.187 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1nc(C(C)C)oc1C ZINC001038253660 935738858 /nfs/dbraw/zinc/73/88/58/935738858.db2.gz GOCBYOOHTFYLBC-LBPRGKRZSA-N 1 2 275.352 1.544 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1nc(C(C)C)oc1C ZINC001038253660 935738861 /nfs/dbraw/zinc/73/88/61/935738861.db2.gz GOCBYOOHTFYLBC-LBPRGKRZSA-N 1 2 275.352 1.544 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncsc1C1CC1 ZINC001038707111 935753480 /nfs/dbraw/zinc/75/34/80/935753480.db2.gz VVYABTZHTIYQKF-LLVKDONJSA-N 1 2 275.377 1.458 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncsc1C1CC1 ZINC001038707111 935753482 /nfs/dbraw/zinc/75/34/82/935753482.db2.gz VVYABTZHTIYQKF-LLVKDONJSA-N 1 2 275.377 1.458 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccnnc2C)C1 ZINC001046453294 935953087 /nfs/dbraw/zinc/95/30/87/935953087.db2.gz GQZKPSUKTPFGCK-CQSZACIVSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccnnc2C)C1 ZINC001046453294 935953088 /nfs/dbraw/zinc/95/30/88/935953088.db2.gz GQZKPSUKTPFGCK-CQSZACIVSA-N 1 2 294.786 1.732 20 30 CDEDLO C[C@@H](C#N)OCCOC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000801857577 936011666 /nfs/dbraw/zinc/01/16/66/936011666.db2.gz ZWDPZVITOIBFDA-JSGCOSHPSA-N 1 2 276.336 1.761 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001096934692 936240528 /nfs/dbraw/zinc/24/05/28/936240528.db2.gz ORPIJGIHPTUWHS-ZDUSSCGKSA-N 1 2 272.352 1.601 20 30 CDEDLO C#Cc1ccc(C(=O)NCc2c[nH+]c(CC)[nH]2)cc1 ZINC001156544512 938382118 /nfs/dbraw/zinc/38/21/18/938382118.db2.gz VPCZEPBMQJWIRY-UHFFFAOYSA-N 1 2 253.305 1.883 20 30 CDEDLO C#Cc1ccc(C(=O)NCc2c[nH]c(CC)[nH+]2)cc1 ZINC001156544512 938382122 /nfs/dbraw/zinc/38/21/22/938382122.db2.gz VPCZEPBMQJWIRY-UHFFFAOYSA-N 1 2 253.305 1.883 20 30 CDEDLO C=CCNC(=O)c1cccnc1NCc1cc[nH+]c(N)c1 ZINC001156760655 938415598 /nfs/dbraw/zinc/41/55/98/938415598.db2.gz MLOTXHIPEGBZAI-UHFFFAOYSA-N 1 2 283.335 1.587 20 30 CDEDLO CC(=O)N1CCC[C@@H](N(C)c2cc(CC#N)cc[nH+]2)C1 ZINC001157409792 938489028 /nfs/dbraw/zinc/48/90/28/938489028.db2.gz BKSHQIMOBSPTPI-CQSZACIVSA-N 1 2 272.352 1.595 20 30 CDEDLO N#Cc1cnc(N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)cn1 ZINC001158624400 938642904 /nfs/dbraw/zinc/64/29/04/938642904.db2.gz KWSPUDVGQIGYKQ-GFCCVEGCSA-N 1 2 293.321 1.658 20 30 CDEDLO Cc1ccc(CC#N)c(NC[C@@H]2COCC[N@H+]2C)n1 ZINC001158709201 938653892 /nfs/dbraw/zinc/65/38/92/938653892.db2.gz GDAVLWOYZJVNRN-CYBMUJFWSA-N 1 2 260.341 1.199 20 30 CDEDLO Cc1ccc(CC#N)c(NC[C@@H]2COCC[N@@H+]2C)n1 ZINC001158709201 938653893 /nfs/dbraw/zinc/65/38/93/938653893.db2.gz GDAVLWOYZJVNRN-CYBMUJFWSA-N 1 2 260.341 1.199 20 30 CDEDLO Cc1cc(N[C@@H]2C(=O)N(O)C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC001160176660 938774256 /nfs/dbraw/zinc/77/42/56/938774256.db2.gz YUZMKMDUIMQKJH-CPCISQLKSA-N 1 2 262.313 1.310 20 30 CDEDLO N#Cc1ccc([N+](=O)[O-])c(NC2CN(c3cccc[nH+]3)C2)n1 ZINC001161320473 938888166 /nfs/dbraw/zinc/88/81/66/938888166.db2.gz HBIDFBWBMGVXOV-UHFFFAOYSA-N 1 2 296.290 1.557 20 30 CDEDLO N#Cc1cnc(NC2CN(c3cccc[nH+]3)C2)c(C#N)c1 ZINC001161319058 938888315 /nfs/dbraw/zinc/88/83/15/938888315.db2.gz ITIGMIIOXLPOMO-UHFFFAOYSA-N 1 2 276.303 1.521 20 30 CDEDLO C#CCCC1(CCNc2cc(N(C)C)nc[nH+]2)N=N1 ZINC001163377631 939258747 /nfs/dbraw/zinc/25/87/47/939258747.db2.gz HJFJJTSBPIDRLV-UHFFFAOYSA-N 1 2 258.329 1.920 20 30 CDEDLO C#CCCC1(CCNc2cc(N(C)C)[nH+]cn2)N=N1 ZINC001163377631 939258748 /nfs/dbraw/zinc/25/87/48/939258748.db2.gz HJFJJTSBPIDRLV-UHFFFAOYSA-N 1 2 258.329 1.920 20 30 CDEDLO Cc1cc2ccccc2nc1N1CC[NH2+]C[C@H]1C#N ZINC001164642043 939501618 /nfs/dbraw/zinc/50/16/18/939501618.db2.gz ROVFHZRYMXHQTP-CYBMUJFWSA-N 1 2 252.321 1.845 20 30 CDEDLO Cc1c(Cl)nc(CC(C)C)nc1N1CC[NH2+]C[C@H]1C#N ZINC001164660422 939502383 /nfs/dbraw/zinc/50/23/83/939502383.db2.gz CQMDXBWCVSHHMJ-LLVKDONJSA-N 1 2 293.802 1.939 20 30 CDEDLO CC[C@H](C)c1nc2[nH]ccc2c(N2CC[NH2+]C[C@H]2C#N)n1 ZINC001164675970 939503326 /nfs/dbraw/zinc/50/33/26/939503326.db2.gz WGQFKYJEHUQZOI-WDEREUQCSA-N 1 2 284.367 1.773 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cccc(OC)c2OC)CC1 ZINC001203451096 939687367 /nfs/dbraw/zinc/68/73/67/939687367.db2.gz NBRAICSFSHOVIN-UHFFFAOYSA-N 1 2 274.364 1.455 20 30 CDEDLO C#CCN1CC[NH+](Cc2cccc(OC)c2OC)CC1 ZINC001203451096 939687368 /nfs/dbraw/zinc/68/73/68/939687368.db2.gz NBRAICSFSHOVIN-UHFFFAOYSA-N 1 2 274.364 1.455 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)c1 ZINC001203757797 939702497 /nfs/dbraw/zinc/70/24/97/939702497.db2.gz UEMQXIHGXSZZMN-BZUAXINKSA-N 1 2 272.348 1.530 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)c1 ZINC001203757797 939702499 /nfs/dbraw/zinc/70/24/99/939702499.db2.gz UEMQXIHGXSZZMN-BZUAXINKSA-N 1 2 272.348 1.530 20 30 CDEDLO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC001207108347 940150652 /nfs/dbraw/zinc/15/06/52/940150652.db2.gz AAFVMWGPPRAOKG-ZDUSSCGKSA-N 1 2 263.341 1.526 20 30 CDEDLO COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC001207108347 940150653 /nfs/dbraw/zinc/15/06/53/940150653.db2.gz AAFVMWGPPRAOKG-ZDUSSCGKSA-N 1 2 263.341 1.526 20 30 CDEDLO CC(=O)N=C1C=C[N@@H+](c2ccc(C#N)cc2C)C=C1N ZINC001210375059 940687445 /nfs/dbraw/zinc/68/74/45/940687445.db2.gz UZPKHUNMMXDJRU-UHFFFAOYSA-N 1 2 266.304 1.687 20 30 CDEDLO CC(=O)N=C1C=C[N@H+](c2ccc(C#N)cc2C)C=C1N ZINC001210375059 940687448 /nfs/dbraw/zinc/68/74/48/940687448.db2.gz UZPKHUNMMXDJRU-UHFFFAOYSA-N 1 2 266.304 1.687 20 30 CDEDLO CN1CCC12C[NH+](Cc1ccc(OCC#N)cc1)C2 ZINC001276775575 941043650 /nfs/dbraw/zinc/04/36/50/941043650.db2.gz LWVIQCYRGQDANW-UHFFFAOYSA-N 1 2 257.337 1.479 20 30 CDEDLO C/C=C(\C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001219435124 941343724 /nfs/dbraw/zinc/34/37/24/941343724.db2.gz WRGXQFMSPOFKPD-NRVBUMMMSA-N 1 2 299.374 1.186 20 30 CDEDLO C/C=C(\C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001219435124 941343729 /nfs/dbraw/zinc/34/37/29/941343729.db2.gz WRGXQFMSPOFKPD-NRVBUMMMSA-N 1 2 299.374 1.186 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1O ZINC001220239564 941426487 /nfs/dbraw/zinc/42/64/87/941426487.db2.gz KAHPIJQAWSNVFS-CABCVRRESA-N 1 2 289.379 1.099 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1O ZINC001220239564 941426490 /nfs/dbraw/zinc/42/64/90/941426490.db2.gz KAHPIJQAWSNVFS-CABCVRRESA-N 1 2 289.379 1.099 20 30 CDEDLO C=C[C@@H]1O[C@@H](OCc2c[nH+]cn2C)[C@H]2OC(C)(C)O[C@@H]12 ZINC001222600113 941619544 /nfs/dbraw/zinc/61/95/44/941619544.db2.gz JPRTUZYCHCSGDU-ZDEQEGDKSA-N 1 2 280.324 1.368 20 30 CDEDLO COC(=O)c1cc(C#N)ccc1COC1C[NH+](C)C1 ZINC001224168220 941726499 /nfs/dbraw/zinc/72/64/99/941726499.db2.gz ICJXXFRDBSBSHX-UHFFFAOYSA-N 1 2 260.293 1.175 20 30 CDEDLO C=CCCC(=O)NC1CC[NH+]([C@@H](C)c2nncn2C)CC1 ZINC001226527973 942020001 /nfs/dbraw/zinc/02/00/01/942020001.db2.gz QRZWPVBXYMVVGN-LBPRGKRZSA-N 1 2 291.399 1.423 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2ccc3nc(C#N)sc3c2)C1 ZINC001226671480 942045995 /nfs/dbraw/zinc/04/59/95/942045995.db2.gz JDRFTHSKLINCTF-LLVKDONJSA-N 1 2 289.360 1.877 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2ccc3nc(C#N)sc3c2)C1 ZINC001226671480 942045998 /nfs/dbraw/zinc/04/59/98/942045998.db2.gz JDRFTHSKLINCTF-LLVKDONJSA-N 1 2 289.360 1.877 20 30 CDEDLO CC(C)[NH+]1CC(Oc2ccc(O)c(C#N)c2C#N)C1 ZINC001227618509 942198205 /nfs/dbraw/zinc/19/82/05/942198205.db2.gz LRKPWTAZFULZPG-UHFFFAOYSA-N 1 2 257.293 1.607 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cnn(C)c1 ZINC001231112217 942787603 /nfs/dbraw/zinc/78/76/03/942787603.db2.gz AJJVWUMIIOZANA-CQSZACIVSA-N 1 2 276.384 1.419 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cnn(C)c1 ZINC001231112217 942787605 /nfs/dbraw/zinc/78/76/05/942787605.db2.gz AJJVWUMIIOZANA-CQSZACIVSA-N 1 2 276.384 1.419 20 30 CDEDLO C#Cc1cccc(C[N@H+]2CCOC[C@@H]2CCC(=O)OC)c1 ZINC001231663086 942964678 /nfs/dbraw/zinc/96/46/78/942964678.db2.gz IRAFDRQVHXEHCB-INIZCTEOSA-N 1 2 287.359 1.822 20 30 CDEDLO C#Cc1cccc(C[N@@H+]2CCOC[C@@H]2CCC(=O)OC)c1 ZINC001231663086 942964683 /nfs/dbraw/zinc/96/46/83/942964683.db2.gz IRAFDRQVHXEHCB-INIZCTEOSA-N 1 2 287.359 1.822 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC001232676123 943357083 /nfs/dbraw/zinc/35/70/83/943357083.db2.gz ZOCZSGBLIWYQQZ-OAHLLOKOSA-N 1 2 258.321 1.876 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC001232676123 943357089 /nfs/dbraw/zinc/35/70/89/943357089.db2.gz ZOCZSGBLIWYQQZ-OAHLLOKOSA-N 1 2 258.321 1.876 20 30 CDEDLO C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1cc(C#N)ccc1[O-])C2 ZINC001232678298 943358555 /nfs/dbraw/zinc/35/85/55/943358555.db2.gz TZJLCWMKTVREGK-GDBMZVCRSA-N 1 2 271.364 1.647 20 30 CDEDLO C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cc(C#N)ccc1[O-])C2 ZINC001232678298 943358560 /nfs/dbraw/zinc/35/85/60/943358560.db2.gz TZJLCWMKTVREGK-GDBMZVCRSA-N 1 2 271.364 1.647 20 30 CDEDLO N#Cc1ccc(O)c(CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC001232679744 943363134 /nfs/dbraw/zinc/36/31/34/943363134.db2.gz RJFLHJFTSVCRIC-OAHLLOKOSA-N 1 2 271.364 1.934 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(Cl)cnc2OCC)CC1 ZINC001233173599 943504263 /nfs/dbraw/zinc/50/42/63/943504263.db2.gz XEVUDTOZYOOYSZ-UHFFFAOYSA-N 1 2 293.798 1.885 20 30 CDEDLO C=CCOC(=O)N1CCN(Cc2cccc(N)[nH+]2)CC1 ZINC001233372747 943563069 /nfs/dbraw/zinc/56/30/69/943563069.db2.gz CRYHPMPYOJITBJ-UHFFFAOYSA-N 1 2 276.340 1.104 20 30 CDEDLO N#Cc1ccc(C[N@H+]2C[C@H](F)C[C@H]2CO)c(O)c1 ZINC001233383356 943569602 /nfs/dbraw/zinc/56/96/02/943569602.db2.gz FHHLEMKCXIFXNW-NEPJUHHUSA-N 1 2 250.273 1.169 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)c(O)c1 ZINC001233383356 943569604 /nfs/dbraw/zinc/56/96/04/943569604.db2.gz FHHLEMKCXIFXNW-NEPJUHHUSA-N 1 2 250.273 1.169 20 30 CDEDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1O ZINC001233383729 943570523 /nfs/dbraw/zinc/57/05/23/943570523.db2.gz UDFVWHMIWORBON-GFCCVEGCSA-N 1 2 260.293 1.401 20 30 CDEDLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1O ZINC001233383729 943570525 /nfs/dbraw/zinc/57/05/25/943570525.db2.gz UDFVWHMIWORBON-GFCCVEGCSA-N 1 2 260.293 1.401 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3C[C@@H]3C)n2CC)CC1 ZINC001263042740 943725920 /nfs/dbraw/zinc/72/59/20/943725920.db2.gz OWYWULAHBPLJSX-QWHCGFSZSA-N 1 2 273.384 1.177 20 30 CDEDLO C#CCN(CC#CC)c1nnc(C[NH+]2CCCCC2)n1CC ZINC001263056590 943727608 /nfs/dbraw/zinc/72/76/08/943727608.db2.gz GVHYHQDMOPIWAO-UHFFFAOYSA-N 1 2 299.422 1.747 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C)CC1 ZINC001234468440 943852968 /nfs/dbraw/zinc/85/29/68/943852968.db2.gz ZJKZNQQHFOOSQK-OLZOCXBDSA-N 1 2 293.411 1.010 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1(C)CC1 ZINC001234468440 943852976 /nfs/dbraw/zinc/85/29/76/943852976.db2.gz ZJKZNQQHFOOSQK-OLZOCXBDSA-N 1 2 293.411 1.010 20 30 CDEDLO CCOCc1ncn2c1C[N@H+](Cc1ccnc(C#N)c1)CC2 ZINC001237461669 944795399 /nfs/dbraw/zinc/79/53/99/944795399.db2.gz CHALTFRSYROZJD-UHFFFAOYSA-N 1 2 297.362 1.702 20 30 CDEDLO CCOCc1ncn2c1C[N@@H+](Cc1ccnc(C#N)c1)CC2 ZINC001237461669 944795407 /nfs/dbraw/zinc/79/54/07/944795407.db2.gz CHALTFRSYROZJD-UHFFFAOYSA-N 1 2 297.362 1.702 20 30 CDEDLO N#Cc1cc(C[NH+]2CCC(NC(N)=O)CC2)c(F)cc1F ZINC001237526650 944824852 /nfs/dbraw/zinc/82/48/52/944824852.db2.gz COEDBYGTRFYQGF-UHFFFAOYSA-N 1 2 294.305 1.469 20 30 CDEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(C(=O)OC)n(C)n2)C1 ZINC001237572769 944852943 /nfs/dbraw/zinc/85/29/43/944852943.db2.gz NZRUQBYUHDTPAP-NSHDSACASA-N 1 2 261.325 1.052 20 30 CDEDLO C#C[C@H]1CCC[N@H+](Cc2cc(C(=O)OC)n(C)n2)C1 ZINC001237572769 944852947 /nfs/dbraw/zinc/85/29/47/944852947.db2.gz NZRUQBYUHDTPAP-NSHDSACASA-N 1 2 261.325 1.052 20 30 CDEDLO CCOC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CC[C@H](C#N)C2)cn1 ZINC001254655085 947574825 /nfs/dbraw/zinc/57/48/25/947574825.db2.gz YNTXQMIQCZKMCL-DRZSPHRISA-N 1 2 276.340 1.181 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@@H](NC(=O)c2cccnc2)C1 ZINC001255176573 947766176 /nfs/dbraw/zinc/76/61/76/947766176.db2.gz CCPBYVHRSKPZHG-HUUCEWRRSA-N 1 2 286.379 1.968 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CCC[C@@H](NC(=O)c2cccnc2)C1 ZINC001255176573 947766180 /nfs/dbraw/zinc/76/61/80/947766180.db2.gz CCPBYVHRSKPZHG-HUUCEWRRSA-N 1 2 286.379 1.968 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256808330 948428688 /nfs/dbraw/zinc/42/86/88/948428688.db2.gz DLHNRDLHGGWPMJ-OAGGEKHMSA-N 1 2 271.364 1.704 20 30 CDEDLO C=C[C@@](C)(O)CNC(=[NH2+])c1ncccc1OCCC ZINC001252582999 951477653 /nfs/dbraw/zinc/47/76/53/951477653.db2.gz AUCATESJNHEKNX-CQSZACIVSA-N 1 2 263.341 1.722 20 30 CDEDLO C=CCC[C@@H](O)C[NH+]1CCN(C(=O)C(F)(F)F)CC1 ZINC001252594479 951487754 /nfs/dbraw/zinc/48/77/54/951487754.db2.gz ZDHRPLYZILUBJT-SNVBAGLBSA-N 1 2 280.290 1.020 20 30 CDEDLO CC[N@H+](CCC#N)C[C@H](O)COc1ccc(CCO)cc1 ZINC001253141200 951768752 /nfs/dbraw/zinc/76/87/52/951768752.db2.gz AFNWBSYAUWHXBA-HNNXBMFYSA-N 1 2 292.379 1.197 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1ccc(CCO)cc1 ZINC001253141200 951768758 /nfs/dbraw/zinc/76/87/58/951768758.db2.gz AFNWBSYAUWHXBA-HNNXBMFYSA-N 1 2 292.379 1.197 20 30 CDEDLO N#CCc1ccc(C(=O)N2CCc3cc[nH+]c(N)c3C2)cc1 ZINC001363115313 971899976 /nfs/dbraw/zinc/89/99/76/971899976.db2.gz NWDDUYHURXQWLD-UHFFFAOYSA-N 1 2 292.342 1.928 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](C)c1cnn(C)c1 ZINC001493071075 971937796 /nfs/dbraw/zinc/93/77/96/971937796.db2.gz BMRUOEYRDBAIMW-GFCCVEGCSA-N 1 2 298.818 1.714 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](C)c1cnn(C)c1 ZINC001493071075 971937804 /nfs/dbraw/zinc/93/78/04/971937804.db2.gz BMRUOEYRDBAIMW-GFCCVEGCSA-N 1 2 298.818 1.714 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(OCC#N)cc1 ZINC001325890021 954127869 /nfs/dbraw/zinc/12/78/69/954127869.db2.gz DFQFDZAOFQMRCI-CQSZACIVSA-N 1 2 288.351 1.207 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(OCC#N)cc1 ZINC001325890021 954127873 /nfs/dbraw/zinc/12/78/73/954127873.db2.gz DFQFDZAOFQMRCI-CQSZACIVSA-N 1 2 288.351 1.207 20 30 CDEDLO CCn1cc([C@H](C)[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cn1 ZINC001364419032 954592502 /nfs/dbraw/zinc/59/25/02/954592502.db2.gz QWLMAIJZJYNWIM-XHDPSFHLSA-N 1 2 297.362 1.652 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccn(C)n1 ZINC001364419416 954592839 /nfs/dbraw/zinc/59/28/39/954592839.db2.gz VCZBYSQGCVCHDN-NEPJUHHUSA-N 1 2 277.372 1.079 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1cc(C(=O)OCC)n[nH]1 ZINC001327104553 954705927 /nfs/dbraw/zinc/70/59/27/954705927.db2.gz IAJFVMNCKCVNAG-UHFFFAOYSA-N 1 2 267.329 1.221 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1cc(C(=O)OCC)n[nH]1 ZINC001327104553 954705939 /nfs/dbraw/zinc/70/59/39/954705939.db2.gz IAJFVMNCKCVNAG-UHFFFAOYSA-N 1 2 267.329 1.221 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc(C)ncn1)C1CC1 ZINC001493361206 972029916 /nfs/dbraw/zinc/02/99/16/972029916.db2.gz ILSUTTCFQCNTFI-UHFFFAOYSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc(C)ncn1)C1CC1 ZINC001493361206 972029920 /nfs/dbraw/zinc/02/99/20/972029920.db2.gz ILSUTTCFQCNTFI-UHFFFAOYSA-N 1 2 294.786 1.732 20 30 CDEDLO C#CCN(CC1CC1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001328307759 955258159 /nfs/dbraw/zinc/25/81/59/955258159.db2.gz CJSAERIRCJUCLZ-ZDUSSCGKSA-N 1 2 257.337 1.317 20 30 CDEDLO C[C@H]([NH2+]Cc1nc(N)nc(N(C)C)n1)c1ccc(C#N)cc1 ZINC001421766764 955532267 /nfs/dbraw/zinc/53/22/67/955532267.db2.gz NOVXYCCOHJOTGN-JTQLQIEISA-N 1 2 297.366 1.242 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCC(F)(F)Cl)nn1 ZINC001330289671 956362792 /nfs/dbraw/zinc/36/27/92/956362792.db2.gz LWUGWXKDDSECCS-UHFFFAOYSA-N 1 2 262.691 1.613 20 30 CDEDLO CCC[N@H+](CC#CCOC)[C@H](CC)C(=O)OCC ZINC001307680349 956431894 /nfs/dbraw/zinc/43/18/94/956431894.db2.gz RGFKOGVUHDFWBO-CYBMUJFWSA-N 1 2 255.358 1.690 20 30 CDEDLO CCC[N@@H+](CC#CCOC)[C@H](CC)C(=O)OCC ZINC001307680349 956431900 /nfs/dbraw/zinc/43/19/00/956431900.db2.gz RGFKOGVUHDFWBO-CYBMUJFWSA-N 1 2 255.358 1.690 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cccc(Cl)c2N)nn1 ZINC001308442452 956530446 /nfs/dbraw/zinc/53/04/46/956530446.db2.gz HKJGKJLPGMROHE-UHFFFAOYSA-N 1 2 277.759 1.990 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](CC#N)C1 ZINC001329194924 956954125 /nfs/dbraw/zinc/95/41/25/956954125.db2.gz JBERSQPETAUQTI-NWDGAFQWSA-N 1 2 260.341 1.741 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](CC#N)C1 ZINC001329194924 956954129 /nfs/dbraw/zinc/95/41/29/956954129.db2.gz JBERSQPETAUQTI-NWDGAFQWSA-N 1 2 260.341 1.741 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1CC1(F)F)C1CC1 ZINC001366742145 957157930 /nfs/dbraw/zinc/15/79/30/957157930.db2.gz VKHRVULNGWJFOV-SNVBAGLBSA-N 1 2 278.730 1.975 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H]1CC1(F)F)C1CC1 ZINC001366742145 957157937 /nfs/dbraw/zinc/15/79/37/957157937.db2.gz VKHRVULNGWJFOV-SNVBAGLBSA-N 1 2 278.730 1.975 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1cc(C)on1 ZINC001367790360 958361168 /nfs/dbraw/zinc/36/11/68/958361168.db2.gz SHXCMNCUNZBVEE-SNVBAGLBSA-N 1 2 285.775 1.715 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1cc(C)on1 ZINC001367790360 958361182 /nfs/dbraw/zinc/36/11/82/958361182.db2.gz SHXCMNCUNZBVEE-SNVBAGLBSA-N 1 2 285.775 1.715 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1n[nH]c2ccc(F)cc21 ZINC001336331648 960305833 /nfs/dbraw/zinc/30/58/33/960305833.db2.gz UGALUEPKVCXTAD-ZDUSSCGKSA-N 1 2 286.310 1.738 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1n[nH]c2ccc(F)cc21 ZINC001336331648 960305837 /nfs/dbraw/zinc/30/58/37/960305837.db2.gz UGALUEPKVCXTAD-ZDUSSCGKSA-N 1 2 286.310 1.738 20 30 CDEDLO C=C(Cl)CN1CC[C@@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001418605800 960788730 /nfs/dbraw/zinc/78/87/30/960788730.db2.gz FPKDOKMGLVCMFE-GFCCVEGCSA-N 1 2 296.802 1.546 20 30 CDEDLO COCC[C@@](C)(C#N)NC(=O)CCCn1cc[nH+]c1 ZINC001324182680 961219756 /nfs/dbraw/zinc/21/97/56/961219756.db2.gz UPIQOEIEPFKBEH-ZDUSSCGKSA-N 1 2 264.329 1.098 20 30 CDEDLO C=C[C@@H](COC)NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001338161657 961663135 /nfs/dbraw/zinc/66/31/35/961663135.db2.gz FPOINDZWTHDHLR-QWHCGFSZSA-N 1 2 278.356 1.431 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cnn2cc[nH]c12 ZINC001420047603 962416727 /nfs/dbraw/zinc/41/67/27/962416727.db2.gz BDZKWPBRTPIIFH-UHFFFAOYSA-N 1 2 295.774 1.419 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cnn2cc[nH]c12 ZINC001420047603 962416739 /nfs/dbraw/zinc/41/67/39/962416739.db2.gz BDZKWPBRTPIIFH-UHFFFAOYSA-N 1 2 295.774 1.419 20 30 CDEDLO CCN(CC[NH2+][C@H](C)c1csnn1)C(=O)[C@@H](C)C#N ZINC001420232901 962607770 /nfs/dbraw/zinc/60/77/70/962607770.db2.gz FMFKKRDSIOSFNY-VHSXEESVSA-N 1 2 281.385 1.197 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CC(C)(C)O)C1 ZINC001438242994 963379445 /nfs/dbraw/zinc/37/94/45/963379445.db2.gz ZJMHZUJLBUIJCZ-LLVKDONJSA-N 1 2 274.792 1.433 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CC(C)(C)O)C1 ZINC001438242994 963379455 /nfs/dbraw/zinc/37/94/55/963379455.db2.gz ZJMHZUJLBUIJCZ-LLVKDONJSA-N 1 2 274.792 1.433 20 30 CDEDLO C=CCC[C@H]1CCCN1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001341496662 963438017 /nfs/dbraw/zinc/43/80/17/963438017.db2.gz LZZZPEOMDMOUSA-CABCVRRESA-N 1 2 295.427 1.847 20 30 CDEDLO C=CCC[C@H]1CCCN1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001341496662 963438023 /nfs/dbraw/zinc/43/80/23/963438023.db2.gz LZZZPEOMDMOUSA-CABCVRRESA-N 1 2 295.427 1.847 20 30 CDEDLO C#C[C@H](NC(=O)N1CCC(c2c[nH+]cn2C)CC1)C(C)C ZINC001341617368 963484264 /nfs/dbraw/zinc/48/42/64/963484264.db2.gz CZKDBHAXEWLEQG-AWEZNQCLSA-N 1 2 288.395 1.967 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cnn(CC)c1 ZINC001440918919 964258239 /nfs/dbraw/zinc/25/82/39/964258239.db2.gz UFPSRABOWREHOT-LLVKDONJSA-N 1 2 284.791 1.706 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cnn(CC)c1 ZINC001440918919 964258254 /nfs/dbraw/zinc/25/82/54/964258254.db2.gz UFPSRABOWREHOT-LLVKDONJSA-N 1 2 284.791 1.706 20 30 CDEDLO C#CC[NH+]1CCC(OC(=O)c2[nH]nc3c2CCCC3)CC1 ZINC001346160859 964960804 /nfs/dbraw/zinc/96/08/04/964960804.db2.gz IYOCQTPBQUWSLV-UHFFFAOYSA-N 1 2 287.363 1.543 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001443573365 965519595 /nfs/dbraw/zinc/51/95/95/965519595.db2.gz SGVGZACSXXEBOR-JTQLQIEISA-N 1 2 288.376 1.327 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CCn2cccn2)C1 ZINC001443807656 965617035 /nfs/dbraw/zinc/61/70/35/965617035.db2.gz LBDOPBIIYFNDJL-ZDUSSCGKSA-N 1 2 296.802 1.558 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CCn2cccn2)C1 ZINC001443807656 965617040 /nfs/dbraw/zinc/61/70/40/965617040.db2.gz LBDOPBIIYFNDJL-ZDUSSCGKSA-N 1 2 296.802 1.558 20 30 CDEDLO C=CCC[C@H](NC(=O)CCc1[nH+]ccn1C)C(=O)OCC ZINC001347662448 965648193 /nfs/dbraw/zinc/64/81/93/965648193.db2.gz ABVWAVGRMGKDCQ-LBPRGKRZSA-N 1 2 293.367 1.367 20 30 CDEDLO CCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001446023503 966422601 /nfs/dbraw/zinc/42/26/01/966422601.db2.gz YPKQWUDRYFFSRW-AWEZNQCLSA-N 1 2 287.363 1.667 20 30 CDEDLO CCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001446023503 966422606 /nfs/dbraw/zinc/42/26/06/966422606.db2.gz YPKQWUDRYFFSRW-AWEZNQCLSA-N 1 2 287.363 1.667 20 30 CDEDLO C=CCC1(O)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001350857349 966780861 /nfs/dbraw/zinc/78/08/61/966780861.db2.gz IICQDOJUGVEVER-UHFFFAOYSA-N 1 2 263.341 1.272 20 30 CDEDLO C=CCC1(O)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001350857349 966780864 /nfs/dbraw/zinc/78/08/64/966780864.db2.gz IICQDOJUGVEVER-UHFFFAOYSA-N 1 2 263.341 1.272 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cn(C)nc1CC ZINC001448042466 966972118 /nfs/dbraw/zinc/97/21/18/966972118.db2.gz ZCXWLKYQSYKDSY-NSHDSACASA-N 1 2 298.818 1.785 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cn(C)nc1CC ZINC001448042466 966972123 /nfs/dbraw/zinc/97/21/23/966972123.db2.gz ZCXWLKYQSYKDSY-NSHDSACASA-N 1 2 298.818 1.785 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2nnc(C)o2)C1 ZINC001448283663 967062516 /nfs/dbraw/zinc/06/25/16/967062516.db2.gz LMVPBZAAEVUGKG-SECBINFHSA-N 1 2 298.774 1.110 20 30 CDEDLO C#C[C@@H]1CCCN(c2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000848750002 969269570 /nfs/dbraw/zinc/26/95/70/969269570.db2.gz OLZLVSGPPKZMSG-CYBMUJFWSA-N 1 2 288.420 1.879 20 30 CDEDLO C#C[C@@H]1CCCN(c2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000848750002 969269579 /nfs/dbraw/zinc/26/95/79/969269579.db2.gz OLZLVSGPPKZMSG-CYBMUJFWSA-N 1 2 288.420 1.879 20 30 CDEDLO C=C1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC001515458489 969894891 /nfs/dbraw/zinc/89/48/91/969894891.db2.gz LANZEFHKZGOHBG-CQSZACIVSA-N 1 2 288.395 1.842 20 30 CDEDLO C=C1CCN(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1 ZINC001515458489 969894897 /nfs/dbraw/zinc/89/48/97/969894897.db2.gz LANZEFHKZGOHBG-CQSZACIVSA-N 1 2 288.395 1.842 20 30 CDEDLO Cc1cc(NC(=O)CCc2[nH]cc[nH+]2)n(CCC#N)n1 ZINC001361840051 970592435 /nfs/dbraw/zinc/59/24/35/970592435.db2.gz AETJTGLJQBERMT-UHFFFAOYSA-N 1 2 272.312 1.400 20 30 CDEDLO CC[C@@H](C(=O)Nc1nc(-c2cccc(C#N)c2)n[nH]1)[NH+](C)C ZINC001472636057 970681925 /nfs/dbraw/zinc/68/19/25/970681925.db2.gz UTEFPRIGLZWKHS-LBPRGKRZSA-N 1 2 298.350 1.622 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC001415110898 972541452 /nfs/dbraw/zinc/54/14/52/972541452.db2.gz NDFYWVRSJVFBJB-ZDUSSCGKSA-N 1 2 289.354 1.960 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cc1ccc(C)nc1 ZINC001372223629 972856078 /nfs/dbraw/zinc/85/60/78/972856078.db2.gz JREXQEBEOVTGEG-UHFFFAOYSA-N 1 2 281.787 1.733 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cc1ccc(C)nc1 ZINC001372223629 972856087 /nfs/dbraw/zinc/85/60/87/972856087.db2.gz JREXQEBEOVTGEG-UHFFFAOYSA-N 1 2 281.787 1.733 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC1(F)F ZINC001496698365 973049075 /nfs/dbraw/zinc/04/90/75/973049075.db2.gz AUXSTCUEDXBJDX-VIFPVBQESA-N 1 2 266.719 1.784 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC1(F)F ZINC001496698365 973049084 /nfs/dbraw/zinc/04/90/84/973049084.db2.gz AUXSTCUEDXBJDX-VIFPVBQESA-N 1 2 266.719 1.784 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C1(C)CCOCC1 ZINC001375128674 974270255 /nfs/dbraw/zinc/27/02/55/974270255.db2.gz WLOGIKNXGSJRTM-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C1(C)CCOCC1 ZINC001375128674 974270259 /nfs/dbraw/zinc/27/02/59/974270259.db2.gz WLOGIKNXGSJRTM-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H](O)C(C)C)C1 ZINC001500214120 974405224 /nfs/dbraw/zinc/40/52/24/974405224.db2.gz FMFKGHXSSCQFKJ-YPMHNXCESA-N 1 2 274.792 1.336 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H](O)C(C)C)C1 ZINC001500214120 974405225 /nfs/dbraw/zinc/40/52/25/974405225.db2.gz FMFKGHXSSCQFKJ-YPMHNXCESA-N 1 2 274.792 1.336 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)C1CC[NH+](Cc2ncccn2)CC1 ZINC001402036948 976091407 /nfs/dbraw/zinc/09/14/07/976091407.db2.gz HTDBASLWUAFVID-LBPRGKRZSA-N 1 2 287.367 1.059 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnc(C)[nH]1 ZINC001403097047 976710911 /nfs/dbraw/zinc/71/09/11/976710911.db2.gz DQDJNMRXVBZNKG-VIFPVBQESA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnc(C)[nH]1 ZINC001403097047 976710917 /nfs/dbraw/zinc/71/09/17/976710917.db2.gz DQDJNMRXVBZNKG-VIFPVBQESA-N 1 2 270.764 1.521 20 30 CDEDLO CC[N@@H+](CC=C(Cl)Cl)CCNC(=O)[C@H](C)C#N ZINC001403826900 977219634 /nfs/dbraw/zinc/21/96/34/977219634.db2.gz QTIWSXNJOCIHNW-SECBINFHSA-N 1 2 278.183 1.903 20 30 CDEDLO CC[N@H+](CC=C(Cl)Cl)CCNC(=O)[C@H](C)C#N ZINC001403826900 977219645 /nfs/dbraw/zinc/21/96/45/977219645.db2.gz QTIWSXNJOCIHNW-SECBINFHSA-N 1 2 278.183 1.903 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001132659985 1163427368 /nfs/dbraw/zinc/42/73/68/1163427368.db2.gz GYBGBILNQGPMFV-NSHDSACASA-N 1 2 280.372 1.440 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001132667509 1163432302 /nfs/dbraw/zinc/43/23/02/1163432302.db2.gz MVNOTCKPUSGADV-NSHDSACASA-N 1 2 292.383 1.755 20 30 CDEDLO CC1(C)C[N@@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@@H]1[NH3+] ZINC001593940689 996951780 /nfs/dbraw/zinc/95/17/80/996951780.db2.gz PGBANRQXCZZIJU-QWHCGFSZSA-N 1 2 273.336 1.353 20 30 CDEDLO CC1(C)C[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@@H]1[NH3+] ZINC001593940689 996951793 /nfs/dbraw/zinc/95/17/93/996951793.db2.gz PGBANRQXCZZIJU-QWHCGFSZSA-N 1 2 273.336 1.353 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[NH2+]Cc1nc(COC)no1 ZINC001133379230 1163662588 /nfs/dbraw/zinc/66/25/88/1163662588.db2.gz XDADXNXXRLWMDE-AWEZNQCLSA-N 1 2 296.371 1.024 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[NH2+]Cc1nncs1 ZINC001133380738 1163663600 /nfs/dbraw/zinc/66/36/00/1163663600.db2.gz NQTBFCLWKKAGDE-LBPRGKRZSA-N 1 2 268.386 1.346 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC2(CC(OCC)C2)C1 ZINC000586784249 342469275 /nfs/dbraw/zinc/46/92/75/342469275.db2.gz CYWOPZXZGYOZBK-LXVYMNJGSA-N 1 2 253.342 1.605 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC2(CC(OCC)C2)C1 ZINC000586784249 342469276 /nfs/dbraw/zinc/46/92/76/342469276.db2.gz CYWOPZXZGYOZBK-LXVYMNJGSA-N 1 2 253.342 1.605 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000589752013 342513295 /nfs/dbraw/zinc/51/32/95/342513295.db2.gz FRTLCOMRFBHHET-HOCLYGCPSA-N 1 2 275.348 1.350 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000589752013 342513296 /nfs/dbraw/zinc/51/32/96/342513296.db2.gz FRTLCOMRFBHHET-HOCLYGCPSA-N 1 2 275.348 1.350 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156247029 398145263 /nfs/dbraw/zinc/14/52/63/398145263.db2.gz AJAXMMLOFZOXAV-NWDGAFQWSA-N 1 2 260.341 1.454 20 30 CDEDLO COC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1nncs1 ZINC000048894748 342568607 /nfs/dbraw/zinc/56/86/07/342568607.db2.gz WYYKYMNDYDXECK-VIFPVBQESA-N 1 2 298.368 1.544 20 30 CDEDLO COC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1nncs1 ZINC000048894748 342568608 /nfs/dbraw/zinc/56/86/08/342568608.db2.gz WYYKYMNDYDXECK-VIFPVBQESA-N 1 2 298.368 1.544 20 30 CDEDLO COCC[N@H+](CCC#N)CCC(=O)OC(C)(C)C 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C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCc2n[nH]cc2C1 ZINC000091078086 342057558 /nfs/dbraw/zinc/05/75/58/342057558.db2.gz XNVXRWVSTYJVHE-GFCCVEGCSA-N 1 2 276.384 1.581 20 30 CDEDLO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000083217734 178357938 /nfs/dbraw/zinc/35/79/38/178357938.db2.gz DKQODSUMXHSCDE-CQSZACIVSA-N 1 2 291.351 1.230 20 30 CDEDLO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000083217734 178357940 /nfs/dbraw/zinc/35/79/40/178357940.db2.gz DKQODSUMXHSCDE-CQSZACIVSA-N 1 2 291.351 1.230 20 30 CDEDLO Cc1cc(CNC(=O)N=c2[nH]n(C)cc2C#N)cc(C)[nH+]1 ZINC000591483867 342633609 /nfs/dbraw/zinc/63/36/09/342633609.db2.gz UFZNZZOQLAAKEZ-UHFFFAOYSA-N 1 2 284.323 1.047 20 30 CDEDLO COCC[N@@H+](CCC#N)CCOc1cccc(C#N)c1 ZINC000071223939 342144764 /nfs/dbraw/zinc/14/47/64/342144764.db2.gz WAAGLVGPLRLOFL-UHFFFAOYSA-N 1 2 273.336 1.799 20 30 CDEDLO COCC[N@H+](CCC#N)CCOc1cccc(C#N)c1 ZINC000071223939 342144765 /nfs/dbraw/zinc/14/47/65/342144765.db2.gz WAAGLVGPLRLOFL-UHFFFAOYSA-N 1 2 273.336 1.799 20 30 CDEDLO C[C@@H]1CSCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000070219804 361836388 /nfs/dbraw/zinc/83/63/88/361836388.db2.gz AWVHQZUMSSZEKH-LLVKDONJSA-N 1 2 275.377 1.934 20 30 CDEDLO C[C@@H]1CSCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000070219804 361836390 /nfs/dbraw/zinc/83/63/90/361836390.db2.gz AWVHQZUMSSZEKH-LLVKDONJSA-N 1 2 275.377 1.934 20 30 CDEDLO Cc1cc(N2CC[C@@](O)(CC#N)C2)nc(C2CC2)[nH+]1 ZINC000591975727 342661095 /nfs/dbraw/zinc/66/10/95/342661095.db2.gz JIJLLGWMSOKXSK-AWEZNQCLSA-N 1 2 258.325 1.517 20 30 CDEDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CC(=O)N(CC)CCC#N ZINC000593059400 342760678 /nfs/dbraw/zinc/76/06/78/342760678.db2.gz QHULCJUSGJVVIU-KGLIPLIRSA-N 1 2 281.400 1.638 20 30 CDEDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1CC(=O)N(CC)CCC#N ZINC000593059400 342760680 /nfs/dbraw/zinc/76/06/80/342760680.db2.gz QHULCJUSGJVVIU-KGLIPLIRSA-N 1 2 281.400 1.638 20 30 CDEDLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC000593067627 342762163 /nfs/dbraw/zinc/76/21/63/342762163.db2.gz XRMRMLIBJAXTDN-ZIAGYGMSSA-N 1 2 264.300 1.279 20 30 CDEDLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(F)ccc1C#N ZINC000593067627 342762164 /nfs/dbraw/zinc/76/21/64/342762164.db2.gz XRMRMLIBJAXTDN-ZIAGYGMSSA-N 1 2 264.300 1.279 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000593154491 342774163 /nfs/dbraw/zinc/77/41/63/342774163.db2.gz WTABZGLMOIROOD-DZGCQCFKSA-N 1 2 291.326 1.089 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000441026669 361964713 /nfs/dbraw/zinc/96/47/13/361964713.db2.gz XWNMNLLILLJFTO-LBPRGKRZSA-N 1 2 286.331 1.169 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000441026669 361964720 /nfs/dbraw/zinc/96/47/20/361964720.db2.gz XWNMNLLILLJFTO-LBPRGKRZSA-N 1 2 286.331 1.169 20 30 CDEDLO CN1CCC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1=O ZINC000328980113 539051445 /nfs/dbraw/zinc/05/14/45/539051445.db2.gz XRPOFGBBJZUQMM-PWSUYJOCSA-N 1 2 276.340 1.023 20 30 CDEDLO Cn1c[nH+]cc1CCn1c(C(F)(F)F)ccc(C#N)c1=O ZINC000603376407 342235710 /nfs/dbraw/zinc/23/57/10/342235710.db2.gz JOUALYSCYAZNKM-UHFFFAOYSA-N 1 2 296.252 1.715 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C1(C#N)CC(C)C1 ZINC000619140217 349637307 /nfs/dbraw/zinc/63/73/07/349637307.db2.gz LIHHXIMGCYKFSB-JVWICGRDSA-N 1 2 279.384 1.105 20 30 CDEDLO CC[C@]1(O)CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000330282942 529433454 /nfs/dbraw/zinc/43/34/54/529433454.db2.gz VUTHWWYAOLPEIF-DOMZBBRYSA-N 1 2 292.383 1.521 20 30 CDEDLO CCC(C#N)(CC)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000599351554 344019236 /nfs/dbraw/zinc/01/92/36/344019236.db2.gz ZYLZPRHAWSTUJD-OLZOCXBDSA-N 1 2 281.400 1.542 20 30 CDEDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595319381 343034844 /nfs/dbraw/zinc/03/48/44/343034844.db2.gz ADAHVRGEEUNJFQ-VLXJIEOASA-N 1 2 276.405 1.942 20 30 CDEDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595319381 343034845 /nfs/dbraw/zinc/03/48/45/343034845.db2.gz ADAHVRGEEUNJFQ-VLXJIEOASA-N 1 2 276.405 1.942 20 30 CDEDLO COC(=O)C[C@H]1C[N@H+](CCc2ccc(C#N)cc2)CCO1 ZINC000595333490 343037868 /nfs/dbraw/zinc/03/78/68/343037868.db2.gz FWXGGMZUYRBQME-HNNXBMFYSA-N 1 2 288.347 1.365 20 30 CDEDLO COC(=O)C[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)CCO1 ZINC000595333490 343037869 /nfs/dbraw/zinc/03/78/69/343037869.db2.gz FWXGGMZUYRBQME-HNNXBMFYSA-N 1 2 288.347 1.365 20 30 CDEDLO CCOC(=O)C1([S@@](C)=O)CC[NH+](CCCC#N)CC1 ZINC000595506424 343080179 /nfs/dbraw/zinc/08/01/79/343080179.db2.gz HNBCKFFSJLAXTN-LJQANCHMSA-N 1 2 286.397 1.066 20 30 CDEDLO CCCCn1nnnc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595610387 343108612 /nfs/dbraw/zinc/10/86/12/343108612.db2.gz XQMHJMNLMWEXRL-LBPRGKRZSA-N 1 2 262.361 1.599 20 30 CDEDLO CCCCn1nnnc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595610387 343108614 /nfs/dbraw/zinc/10/86/14/343108614.db2.gz XQMHJMNLMWEXRL-LBPRGKRZSA-N 1 2 262.361 1.599 20 30 CDEDLO N#CCN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000078097915 342334532 /nfs/dbraw/zinc/33/45/32/342334532.db2.gz IPVMMBZXLDWXKN-INIZCTEOSA-N 1 2 299.374 1.402 20 30 CDEDLO N#CCN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000078097915 342334533 /nfs/dbraw/zinc/33/45/33/342334533.db2.gz IPVMMBZXLDWXKN-INIZCTEOSA-N 1 2 299.374 1.402 20 30 CDEDLO COc1cc[nH+]c(CN([C@@H](C)C#N)C2CC2)c1OC ZINC000595710279 343137570 /nfs/dbraw/zinc/13/75/70/343137570.db2.gz OYRJNFDDJLBHCP-JTQLQIEISA-N 1 2 261.325 1.975 20 30 CDEDLO CCOC(=O)c1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)nc1 ZINC000595841286 343172895 /nfs/dbraw/zinc/17/28/95/343172895.db2.gz JXQHFFUNYYVHNG-HNNXBMFYSA-N 1 2 273.336 1.994 20 30 CDEDLO CCOC(=O)c1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)nc1 ZINC000595841286 343172897 /nfs/dbraw/zinc/17/28/97/343172897.db2.gz JXQHFFUNYYVHNG-HNNXBMFYSA-N 1 2 273.336 1.994 20 30 CDEDLO COC(=O)[C@](C)([NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC000081153527 342364756 /nfs/dbraw/zinc/36/47/56/342364756.db2.gz HYXVVJGTLIYCTQ-OAHLLOKOSA-N 1 2 258.321 1.990 20 30 CDEDLO Cn1ncc(C#N)c1N1CC[NH+](Cc2cccnc2)CC1 ZINC000596064705 343223850 /nfs/dbraw/zinc/22/38/50/343223850.db2.gz HZCYHBRQQVVMIU-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO COc1ccc(F)cc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000573420192 334936483 /nfs/dbraw/zinc/93/64/83/334936483.db2.gz DBZRAJITCZTAJL-AWEZNQCLSA-N 1 2 279.315 1.408 20 30 CDEDLO CCc1nc(C#N)cc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)n1 ZINC000596258174 343276748 /nfs/dbraw/zinc/27/67/48/343276748.db2.gz WIGHYGSYDDEWME-MWLCHTKSSA-N 1 2 268.324 1.647 20 30 CDEDLO N#Cc1cccc(NC(=O)NCCCCn2cc[nH+]c2)n1 ZINC000573799975 362167932 /nfs/dbraw/zinc/16/79/32/362167932.db2.gz MWEUMDACHYCIQA-UHFFFAOYSA-N 1 2 284.323 1.752 20 30 CDEDLO N#C[C@H](CCc1ccccc1)C(=O)NCCn1cc[nH+]c1 ZINC000448694803 362163641 /nfs/dbraw/zinc/16/36/41/362163641.db2.gz QKNOGRCUYQYYPZ-HNNXBMFYSA-N 1 2 282.347 1.772 20 30 CDEDLO Cc1ccnc(NCC[N@H+]2C[C@H](C)OC[C@H]2C)c1C#N ZINC000596426450 343312031 /nfs/dbraw/zinc/31/20/31/343312031.db2.gz ABEKLNDXKIZBGL-OLZOCXBDSA-N 1 2 274.368 1.783 20 30 CDEDLO Cc1ccnc(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c1C#N ZINC000596426450 343312032 /nfs/dbraw/zinc/31/20/32/343312032.db2.gz ABEKLNDXKIZBGL-OLZOCXBDSA-N 1 2 274.368 1.783 20 30 CDEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC000330184526 362173390 /nfs/dbraw/zinc/17/33/90/362173390.db2.gz IOOMIAARFQKYFY-GRYCIOLGSA-N 1 2 262.357 1.842 20 30 CDEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC000330184526 362173391 /nfs/dbraw/zinc/17/33/91/362173391.db2.gz IOOMIAARFQKYFY-GRYCIOLGSA-N 1 2 262.357 1.842 20 30 CDEDLO C=CCCSCCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000596716949 343377356 /nfs/dbraw/zinc/37/73/56/343377356.db2.gz KFWBKEIJARQEOL-UHFFFAOYSA-N 1 2 282.413 1.871 20 30 CDEDLO C[C@H](Nc1ncc([N+](=O)[O-])cc1C#N)c1[nH+]ccn1C ZINC000596542458 343346683 /nfs/dbraw/zinc/34/66/83/343346683.db2.gz IKOYFONLZYYQAQ-QMMMGPOBSA-N 1 2 272.268 1.768 20 30 CDEDLO C#CCC[NH+]1CCN(c2snc(Cl)c2C#N)CC1 ZINC000092623863 342415613 /nfs/dbraw/zinc/41/56/13/342415613.db2.gz PHQNJRBNVLRVJN-UHFFFAOYSA-N 1 2 280.784 1.813 20 30 CDEDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000444728833 362200091 /nfs/dbraw/zinc/20/00/91/362200091.db2.gz BZOCFYKYRBZVKE-HUUCEWRRSA-N 1 2 288.347 1.251 20 30 CDEDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000444728833 362200096 /nfs/dbraw/zinc/20/00/96/362200096.db2.gz BZOCFYKYRBZVKE-HUUCEWRRSA-N 1 2 288.347 1.251 20 30 CDEDLO CCOC(=O)c1nn(C)cc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000597176592 343467741 /nfs/dbraw/zinc/46/77/41/343467741.db2.gz IRTPGSBZVRHOCL-LBPRGKRZSA-N 1 2 290.367 1.722 20 30 CDEDLO CCOC(=O)c1nn(C)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597176592 343467743 /nfs/dbraw/zinc/46/77/43/343467743.db2.gz IRTPGSBZVRHOCL-LBPRGKRZSA-N 1 2 290.367 1.722 20 30 CDEDLO CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000597350521 343509376 /nfs/dbraw/zinc/50/93/76/343509376.db2.gz KKEILKGIKYKVKB-PWSUYJOCSA-N 1 2 260.341 1.500 20 30 CDEDLO CC(C)(C)[C@H](C#N)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000597350520 343509429 /nfs/dbraw/zinc/50/94/29/343509429.db2.gz KKEILKGIKYKVKB-JQWIXIFHSA-N 1 2 260.341 1.500 20 30 CDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccccc2C#N)C[C@H]1C ZINC000250349296 349837781 /nfs/dbraw/zinc/83/77/81/349837781.db2.gz RAHJCFAPNQJBCN-GFCCVEGCSA-N 1 2 293.392 1.273 20 30 CDEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccccc2C#N)C[C@H]1C ZINC000250349296 349837783 /nfs/dbraw/zinc/83/77/83/349837783.db2.gz RAHJCFAPNQJBCN-GFCCVEGCSA-N 1 2 293.392 1.273 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000619716647 349866921 /nfs/dbraw/zinc/86/69/21/349866921.db2.gz ZLOMTIOPXSDQJY-AWEZNQCLSA-N 1 2 294.395 1.439 20 30 CDEDLO C[C@H](NC(=O)c1ccc(CC#N)cc1)c1[nH+]ccn1C ZINC000598464109 343805826 /nfs/dbraw/zinc/80/58/26/343805826.db2.gz GBMGXEGGPKRIAU-NSHDSACASA-N 1 2 268.320 1.977 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598465038 343806537 /nfs/dbraw/zinc/80/65/37/343806537.db2.gz NZWHUHCKFGQBKY-MRVPVSSYSA-N 1 2 258.281 1.684 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000619723591 349872848 /nfs/dbraw/zinc/87/28/48/349872848.db2.gz YNNHUKOZUKRMIZ-AWEZNQCLSA-N 1 2 278.377 1.486 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000619723591 349872850 /nfs/dbraw/zinc/87/28/50/349872850.db2.gz YNNHUKOZUKRMIZ-AWEZNQCLSA-N 1 2 278.377 1.486 20 30 CDEDLO CCC(C#N)(CC)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000598974095 343931931 /nfs/dbraw/zinc/93/19/31/343931931.db2.gz PMENXHMCECVYQB-CQSZACIVSA-N 1 2 293.411 1.640 20 30 CDEDLO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC000411916046 362297446 /nfs/dbraw/zinc/29/74/46/362297446.db2.gz XRMRMLIBJAXTDN-KBPBESRZSA-N 1 2 264.300 1.279 20 30 CDEDLO COC[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(F)ccc1C#N ZINC000411916046 362297451 /nfs/dbraw/zinc/29/74/51/362297451.db2.gz XRMRMLIBJAXTDN-KBPBESRZSA-N 1 2 264.300 1.279 20 30 CDEDLO N#CCCCC(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601727870 344238816 /nfs/dbraw/zinc/23/88/16/344238816.db2.gz JFYXWDIRSCNWRT-UHFFFAOYSA-N 1 2 287.363 1.730 20 30 CDEDLO N#Cc1csc(C[NH+]2CCN(C(=O)C3CC3)CC2)c1 ZINC000536636265 282335278 /nfs/dbraw/zinc/33/52/78/282335278.db2.gz RTHQXVOXKNSEQQ-UHFFFAOYSA-N 1 2 275.377 1.674 20 30 CDEDLO CC[C@@](C)(C#N)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000602086215 344330190 /nfs/dbraw/zinc/33/01/90/344330190.db2.gz MWWGJWXXPGOFOK-HNNXBMFYSA-N 1 2 284.319 2.000 20 30 CDEDLO CC1(C)C[C@@]1(C#N)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000602153207 344361409 /nfs/dbraw/zinc/36/14/09/344361409.db2.gz LPAQVQVAAGRIKP-INIZCTEOSA-N 1 2 296.330 2.000 20 30 CDEDLO CCc1ccc(F)cc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000602332041 344402353 /nfs/dbraw/zinc/40/23/53/344402353.db2.gz JNYMBODVHQXSHS-OAHLLOKOSA-N 1 2 277.343 1.962 20 30 CDEDLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000536676244 282339302 /nfs/dbraw/zinc/33/93/02/282339302.db2.gz DZRVLNIHDHMJKN-LBPRGKRZSA-N 1 2 299.421 1.133 20 30 CDEDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000536676244 282339304 /nfs/dbraw/zinc/33/93/04/282339304.db2.gz DZRVLNIHDHMJKN-LBPRGKRZSA-N 1 2 299.421 1.133 20 30 CDEDLO COc1cccc(OC)c1C[NH+]1CCN(CCC#N)CC1 ZINC000602748185 344562234 /nfs/dbraw/zinc/56/22/34/344562234.db2.gz LEZMQEZYDMDXOG-UHFFFAOYSA-N 1 2 289.379 1.735 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000602861308 344616758 /nfs/dbraw/zinc/61/67/58/344616758.db2.gz GBRZIUUDRXQLPO-FVCCEPFGSA-N 1 2 251.374 1.819 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccccc1C#N ZINC000602861904 344617054 /nfs/dbraw/zinc/61/70/54/344617054.db2.gz IBCKRCBJNDAJGP-MNOVXSKESA-N 1 2 256.309 1.777 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N(CCC#N)c1ccccc1 ZINC000602863195 344618666 /nfs/dbraw/zinc/61/86/66/344618666.db2.gz LVXTXJXXSOWQFS-CYBMUJFWSA-N 1 2 270.336 1.825 20 30 CDEDLO CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000602864607 344638306 /nfs/dbraw/zinc/63/83/06/344638306.db2.gz SCUGKSKDRIDXNX-MNOVXSKESA-N 1 2 263.345 1.683 20 30 CDEDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[NH2+][C@H](C)CC#N ZINC000602865848 344638412 /nfs/dbraw/zinc/63/84/12/344638412.db2.gz ZSQMFIHNORXTQD-GHMZBOCLSA-N 1 2 295.333 1.904 20 30 CDEDLO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@@H](C)CC#N)c1 ZINC000602870426 344641244 /nfs/dbraw/zinc/64/12/44/344641244.db2.gz TUMAQTNQKYAIBP-NSHDSACASA-N 1 2 289.335 1.612 20 30 CDEDLO COC(=O)[C@H]1CC[C@H](C(=O)OC)C[N@H+]1CC1(CC#N)CC1 ZINC000602916682 344649309 /nfs/dbraw/zinc/64/93/09/344649309.db2.gz QEUNFTMZPFBYHH-NWDGAFQWSA-N 1 2 294.351 1.107 20 30 CDEDLO COC(=O)[C@H]1CC[C@H](C(=O)OC)C[N@@H+]1CC1(CC#N)CC1 ZINC000602916682 344649311 /nfs/dbraw/zinc/64/93/11/344649311.db2.gz QEUNFTMZPFBYHH-NWDGAFQWSA-N 1 2 294.351 1.107 20 30 CDEDLO Cc1[nH]n(CC[NH+]2CCCCC2)c(=O)c1CCC#N ZINC000603921583 344846257 /nfs/dbraw/zinc/84/62/57/344846257.db2.gz XTPZLVUDEZCXSM-CYBMUJFWSA-N 1 2 262.357 1.610 20 30 CDEDLO CC1(C[N@@H+]2CCC[C@]3(CCCCO3)[C@@H]2C#N)COC1 ZINC000447910951 362555092 /nfs/dbraw/zinc/55/50/92/362555092.db2.gz YUKVYJVGNVLUNS-DZGCQCFKSA-N 1 2 264.369 1.950 20 30 CDEDLO CC1(C[N@H+]2CCC[C@]3(CCCCO3)[C@@H]2C#N)COC1 ZINC000447910951 362555095 /nfs/dbraw/zinc/55/50/95/362555095.db2.gz YUKVYJVGNVLUNS-DZGCQCFKSA-N 1 2 264.369 1.950 20 30 CDEDLO C[C@@H](CCC#N)C[N@@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000618888173 345419537 /nfs/dbraw/zinc/41/95/37/345419537.db2.gz NTPMJFZPWWITPA-LBPRGKRZSA-N 1 2 275.356 1.009 20 30 CDEDLO C[C@@H](CCC#N)C[N@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000618888173 345419539 /nfs/dbraw/zinc/41/95/39/345419539.db2.gz NTPMJFZPWWITPA-LBPRGKRZSA-N 1 2 275.356 1.009 20 30 CDEDLO C=CCCNC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000617618212 345879872 /nfs/dbraw/zinc/87/98/72/345879872.db2.gz HJDYCXSIGVHEKZ-OLZOCXBDSA-N 1 2 254.374 1.568 20 30 CDEDLO C=CCCNC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000617618212 345879876 /nfs/dbraw/zinc/87/98/76/345879876.db2.gz HJDYCXSIGVHEKZ-OLZOCXBDSA-N 1 2 254.374 1.568 20 30 CDEDLO C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccccc1F ZINC000583696548 346217198 /nfs/dbraw/zinc/21/71/98/346217198.db2.gz AKMPDOBMIYOOAX-IAQYHMDHSA-N 1 2 277.343 1.889 20 30 CDEDLO N#Cc1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)cn1 ZINC000610541813 346307957 /nfs/dbraw/zinc/30/79/57/346307957.db2.gz NEGXTRWSKOABOM-AWEZNQCLSA-N 1 2 253.309 1.991 20 30 CDEDLO Cc1ccc(C#N)c(NCC[N@H+]2CCOC[C@H]2C)n1 ZINC000611227424 346691301 /nfs/dbraw/zinc/69/13/01/346691301.db2.gz KOLVODVMIUBFBH-GFCCVEGCSA-N 1 2 260.341 1.394 20 30 CDEDLO Cc1ccc(C#N)c(NCC[N@@H+]2CCOC[C@H]2C)n1 ZINC000611227424 346691304 /nfs/dbraw/zinc/69/13/04/346691304.db2.gz KOLVODVMIUBFBH-GFCCVEGCSA-N 1 2 260.341 1.394 20 30 CDEDLO C[C@H]([NH2+]Cc1nnnn1C1CC1)c1cccc(C#N)c1 ZINC000611388546 346776101 /nfs/dbraw/zinc/77/61/01/346776101.db2.gz PPWGKYOMDIXIHB-JTQLQIEISA-N 1 2 268.324 1.730 20 30 CDEDLO COCC[N@@H+](CCC#N)CCO[C@@H]1CCCCO1 ZINC000612432970 347155722 /nfs/dbraw/zinc/15/57/22/347155722.db2.gz XABRALZOCQJWTE-CYBMUJFWSA-N 1 2 256.346 1.392 20 30 CDEDLO COCC[N@H+](CCC#N)CCO[C@@H]1CCCCO1 ZINC000612432970 347155727 /nfs/dbraw/zinc/15/57/27/347155727.db2.gz XABRALZOCQJWTE-CYBMUJFWSA-N 1 2 256.346 1.392 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000449870902 362777868 /nfs/dbraw/zinc/77/78/68/362777868.db2.gz NJIRWTPEPQCRSF-GFCCVEGCSA-N 1 2 252.358 1.178 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000449870902 362777874 /nfs/dbraw/zinc/77/78/74/362777874.db2.gz NJIRWTPEPQCRSF-GFCCVEGCSA-N 1 2 252.358 1.178 20 30 CDEDLO C[C@@H]1C[C@]1(C#N)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000450211497 362803561 /nfs/dbraw/zinc/80/35/61/362803561.db2.gz PYYRJOLHAQSFDJ-TYNCELHUSA-N 1 2 270.336 1.326 20 30 CDEDLO C#CC[N@@H+]([C@H]1CCS(=O)(=O)C1)[C@H]1C=CCCC1 ZINC000066538722 347490119 /nfs/dbraw/zinc/49/01/19/347490119.db2.gz MLAGWKUHFIHQOR-STQMWFEESA-N 1 2 253.367 1.217 20 30 CDEDLO C#CC[N@H+]([C@H]1CCS(=O)(=O)C1)[C@H]1C=CCCC1 ZINC000066538722 347490122 /nfs/dbraw/zinc/49/01/22/347490122.db2.gz MLAGWKUHFIHQOR-STQMWFEESA-N 1 2 253.367 1.217 20 30 CDEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC000613450168 347736114 /nfs/dbraw/zinc/73/61/14/347736114.db2.gz RKDZAOBHUQRCBY-DZGCQCFKSA-N 1 2 273.384 1.703 20 30 CDEDLO COC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000053695603 347751664 /nfs/dbraw/zinc/75/16/64/347751664.db2.gz FBXQURCWJZXHEO-UHFFFAOYSA-N 1 2 259.309 1.442 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000619704901 348000236 /nfs/dbraw/zinc/00/02/36/348000236.db2.gz WHISNPKANVLQEV-WCQYABFASA-N 1 2 273.336 1.518 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000614374952 348094200 /nfs/dbraw/zinc/09/42/00/348094200.db2.gz JPLLUGJTPJZEDP-JLNYLFASSA-N 1 2 289.379 1.621 20 30 CDEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1nnc(C)o1 ZINC000544513733 348277120 /nfs/dbraw/zinc/27/71/20/348277120.db2.gz RXVIUDGVQIDCRE-SNVBAGLBSA-N 1 2 264.329 1.229 20 30 CDEDLO CC[C@H](C)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000569710869 362878268 /nfs/dbraw/zinc/87/82/68/362878268.db2.gz ZEVARFPWFQVMFM-ZDUSSCGKSA-N 1 2 289.379 1.598 20 30 CDEDLO COC(=O)[C@@]1(C)CN(c2cc(C)[nH+]cc2C#N)C[C@@H]1C ZINC000601211987 348380417 /nfs/dbraw/zinc/38/04/17/348380417.db2.gz CXNLSEGVZMYMPZ-BONVTDFDSA-N 1 2 273.336 1.897 20 30 CDEDLO CC1(C)C[N@H+](Cc2ccc(C#N)s2)CCN1CCO ZINC000615140537 348356191 /nfs/dbraw/zinc/35/61/91/348356191.db2.gz VQORTFNCYFUHII-UHFFFAOYSA-N 1 2 279.409 1.508 20 30 CDEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)CCN1CCO ZINC000615140537 348356193 /nfs/dbraw/zinc/35/61/93/348356193.db2.gz VQORTFNCYFUHII-UHFFFAOYSA-N 1 2 279.409 1.508 20 30 CDEDLO Cc1[nH][nH]c(=NC(=O)c2sccc2C[NH+](C)C)c1C#N ZINC000601681079 349991637 /nfs/dbraw/zinc/99/16/37/349991637.db2.gz YNURDUJZDSJEBY-UHFFFAOYSA-N 1 2 289.364 1.387 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(C#N)c(C)n2)CC1 ZINC000068444637 349066765 /nfs/dbraw/zinc/06/67/65/349066765.db2.gz FBJVLGWTLJBJPS-UHFFFAOYSA-N 1 2 282.347 1.043 20 30 CDEDLO CC(C)c1nnc(C[NH2+]Cc2cccc(C#N)n2)[nH]1 ZINC000602675672 350140554 /nfs/dbraw/zinc/14/05/54/350140554.db2.gz VUKSBFIXUJEERP-UHFFFAOYSA-N 1 2 256.313 1.485 20 30 CDEDLO CO[C@@H]1C[N@H+](CCCOc2cccc(C#N)c2)CCO1 ZINC000602897870 350161625 /nfs/dbraw/zinc/16/16/25/350161625.db2.gz LVLLBXIURFGQDR-HNNXBMFYSA-N 1 2 276.336 1.632 20 30 CDEDLO CO[C@@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CCO1 ZINC000602897870 350161628 /nfs/dbraw/zinc/16/16/28/350161628.db2.gz LVLLBXIURFGQDR-HNNXBMFYSA-N 1 2 276.336 1.632 20 30 CDEDLO Cc1cc(C#N)nc(N2CC(C)(C)[C@H]2c2[nH+]ccn2C)n1 ZINC000296285554 358465424 /nfs/dbraw/zinc/46/54/24/358465424.db2.gz LHEJCOFQEKWKTL-GFCCVEGCSA-N 1 2 282.351 1.978 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc(OCC#N)cc1 ZINC000264768395 363148115 /nfs/dbraw/zinc/14/81/15/363148115.db2.gz OVWWTSNQWYEWNS-CYBMUJFWSA-N 1 2 298.346 1.533 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000292350711 198255369 /nfs/dbraw/zinc/25/53/69/198255369.db2.gz VLQDHHSJVGPOTP-GFCCVEGCSA-N 1 2 296.367 1.564 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000292350711 198255370 /nfs/dbraw/zinc/25/53/70/198255370.db2.gz VLQDHHSJVGPOTP-GFCCVEGCSA-N 1 2 296.367 1.564 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1cnn(C)c1 ZINC000032539848 356101246 /nfs/dbraw/zinc/10/12/46/356101246.db2.gz GQMNLMMYGIXZRD-LBPRGKRZSA-N 1 2 297.362 1.751 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1cnn(C)c1 ZINC000032539848 356101253 /nfs/dbraw/zinc/10/12/53/356101253.db2.gz GQMNLMMYGIXZRD-LBPRGKRZSA-N 1 2 297.362 1.751 20 30 CDEDLO C=CCOC[C@@H]([NH2+]C1CCC2(CCCO2)CC1)C(=O)OC ZINC000564815715 357166788 /nfs/dbraw/zinc/16/67/88/357166788.db2.gz XTRBAZRCPVISKC-NPCAHTBFSA-N 1 2 297.395 1.812 20 30 CDEDLO N#CCC[N@H+](CC1CC1)C[C@@H]1CCCS(=O)(=O)C1 ZINC000556497012 357130772 /nfs/dbraw/zinc/13/07/72/357130772.db2.gz BAXOCDZRULGNAV-ZDUSSCGKSA-N 1 2 270.398 1.437 20 30 CDEDLO N#CCC[N@@H+](CC1CC1)C[C@@H]1CCCS(=O)(=O)C1 ZINC000556497012 357130776 /nfs/dbraw/zinc/13/07/76/357130776.db2.gz BAXOCDZRULGNAV-ZDUSSCGKSA-N 1 2 270.398 1.437 20 30 CDEDLO CC[C@@H]([NH2+]CCNC(O)=C1N=CC=CC1=O)C(C)C ZINC000180879764 357291222 /nfs/dbraw/zinc/29/12/22/357291222.db2.gz WKQSZBMEUHACCQ-LYZGCBJASA-N 1 2 265.357 1.537 20 30 CDEDLO C#C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC000491696004 357268059 /nfs/dbraw/zinc/26/80/59/357268059.db2.gz IJWHFRKENRXYRZ-YPMHNXCESA-N 1 2 259.353 1.610 20 30 CDEDLO Cc1cc(C)c(C#N)c(N[C@@H](C)C[NH+]2CCN(C)CC2)n1 ZINC000264454346 357316833 /nfs/dbraw/zinc/31/68/33/357316833.db2.gz ZNFHFDTWKADGOB-AWEZNQCLSA-N 1 2 287.411 1.618 20 30 CDEDLO Cn1cnnc1C[N@H+](C)CCOc1ccccc1C#N ZINC000264487035 357343337 /nfs/dbraw/zinc/34/33/37/357343337.db2.gz NFNHJEOFHBYWMC-UHFFFAOYSA-N 1 2 271.324 1.198 20 30 CDEDLO Cn1cnnc1C[N@@H+](C)CCOc1ccccc1C#N ZINC000264487035 357343342 /nfs/dbraw/zinc/34/33/42/357343342.db2.gz NFNHJEOFHBYWMC-UHFFFAOYSA-N 1 2 271.324 1.198 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000294438427 199039460 /nfs/dbraw/zinc/03/94/60/199039460.db2.gz MPLNCIKJRRCNJM-UHFFFAOYSA-N 1 2 273.380 1.938 20 30 CDEDLO N#Cc1cc(NC(=O)N2CCn3c[nH+]cc3C2)ccc1F ZINC000335673802 357945097 /nfs/dbraw/zinc/94/50/97/357945097.db2.gz AHANOMFRODOHKS-UHFFFAOYSA-N 1 2 285.282 1.942 20 30 CDEDLO Cc1cc(N[C@H]2CCN(CC(F)(F)F)C2)c(C#N)c[nH+]1 ZINC000567718320 358722630 /nfs/dbraw/zinc/72/26/30/358722630.db2.gz NKKOAZNWTCUACJ-NSHDSACASA-N 1 2 284.285 1.732 20 30 CDEDLO CO[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@@H]1OC ZINC000234863778 358800029 /nfs/dbraw/zinc/80/00/29/358800029.db2.gz VDTKMTULKZKPRU-OKILXGFUSA-N 1 2 264.300 1.543 20 30 CDEDLO CO[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@@H]1OC ZINC000234863778 358800031 /nfs/dbraw/zinc/80/00/31/358800031.db2.gz VDTKMTULKZKPRU-OKILXGFUSA-N 1 2 264.300 1.543 20 30 CDEDLO C#CCN(CC)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000264585076 359311238 /nfs/dbraw/zinc/31/12/38/359311238.db2.gz BADRVCMHRBUDND-UHFFFAOYSA-N 1 2 270.336 1.807 20 30 CDEDLO C=CC[N@@H+](C[C@H](O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000264576135 359311793 /nfs/dbraw/zinc/31/17/93/359311793.db2.gz UDQGXOPJHQEZNX-GJZGRUSLSA-N 1 2 295.404 1.395 20 30 CDEDLO C=CC[N@H+](C[C@H](O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000264576135 359311797 /nfs/dbraw/zinc/31/17/97/359311797.db2.gz UDQGXOPJHQEZNX-GJZGRUSLSA-N 1 2 295.404 1.395 20 30 CDEDLO CC(C)OCC[NH+]1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000176324564 359270355 /nfs/dbraw/zinc/27/03/55/359270355.db2.gz VZVLYAQILOFCJF-UHFFFAOYSA-N 1 2 290.367 1.069 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@H+](CC)CCO)c1C ZINC000265510127 359330258 /nfs/dbraw/zinc/33/02/58/359330258.db2.gz RBFNAWWMNDYGAM-UHFFFAOYSA-N 1 2 264.369 1.788 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](CC)CCO)c1C ZINC000265510127 359330266 /nfs/dbraw/zinc/33/02/66/359330266.db2.gz RBFNAWWMNDYGAM-UHFFFAOYSA-N 1 2 264.369 1.788 20 30 CDEDLO C#CC[N@@H+](CC)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000272230022 359451107 /nfs/dbraw/zinc/45/11/07/359451107.db2.gz IPPTWPXFMHIMSB-HNNXBMFYSA-N 1 2 295.404 1.253 20 30 CDEDLO C#CC[N@H+](CC)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000272230022 359451110 /nfs/dbraw/zinc/45/11/10/359451110.db2.gz IPPTWPXFMHIMSB-HNNXBMFYSA-N 1 2 295.404 1.253 20 30 CDEDLO C=C(Cl)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000272615081 359461628 /nfs/dbraw/zinc/46/16/28/359461628.db2.gz HUZDYEXZQYKAEO-UHFFFAOYSA-N 1 2 251.761 1.952 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](CC)c1nccn1C ZINC000272810245 359469139 /nfs/dbraw/zinc/46/91/39/359469139.db2.gz CYESGXLIFFPIAA-NSHDSACASA-N 1 2 271.386 1.062 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1nc2c(cccc2OC)s1 ZINC000276950261 359553213 /nfs/dbraw/zinc/55/32/13/359553213.db2.gz KZTBUBQMYCXDPU-UHFFFAOYSA-N 1 2 289.360 1.808 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1nc2c(cccc2OC)s1 ZINC000276950261 359553218 /nfs/dbraw/zinc/55/32/18/359553218.db2.gz KZTBUBQMYCXDPU-UHFFFAOYSA-N 1 2 289.360 1.808 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1nncn1C ZINC000275174545 359529174 /nfs/dbraw/zinc/52/91/74/359529174.db2.gz LSOQNEBMZOWLDV-NEPJUHHUSA-N 1 2 279.388 1.279 20 30 CDEDLO C=CCOC[C@@H]([NH2+]CC1(SC)CC1)C(=O)OC ZINC000348360003 360026414 /nfs/dbraw/zinc/02/64/14/360026414.db2.gz PHDGVZOKDVSJOU-SNVBAGLBSA-N 1 2 259.371 1.216 20 30 CDEDLO C=CCOc1cccnc1C(=O)NCc1c[nH+]ccc1OC ZINC000348391291 360047285 /nfs/dbraw/zinc/04/72/85/360047285.db2.gz HYCPHWCKRGTMDL-UHFFFAOYSA-N 1 2 299.330 1.980 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000335485965 360347254 /nfs/dbraw/zinc/34/72/54/360347254.db2.gz JTJPJZLMJHKVFH-NWDGAFQWSA-N 1 2 283.335 1.826 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1CNc1nc(N)c2ccccc2[nH+]1 ZINC000515118102 360439934 /nfs/dbraw/zinc/43/99/34/360439934.db2.gz IASXPHZCJPIKJA-SMDDNHRTSA-N 1 2 284.363 1.857 20 30 CDEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NC[C@H]1CCCO1 ZINC000112673630 360529427 /nfs/dbraw/zinc/52/94/27/360529427.db2.gz WCFIRZYGMDLUPG-CYBMUJFWSA-N 1 2 281.400 1.543 20 30 CDEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NC[C@H]1CCCO1 ZINC000112673630 360529430 /nfs/dbraw/zinc/52/94/30/360529430.db2.gz WCFIRZYGMDLUPG-CYBMUJFWSA-N 1 2 281.400 1.543 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1ccnn1CC ZINC000429719119 360870118 /nfs/dbraw/zinc/87/01/18/360870118.db2.gz ODLZMBAWDMHQBF-UHFFFAOYSA-N 1 2 278.400 1.759 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1ccnn1CC ZINC000429719119 360870120 /nfs/dbraw/zinc/87/01/20/360870120.db2.gz ODLZMBAWDMHQBF-UHFFFAOYSA-N 1 2 278.400 1.759 20 30 CDEDLO O=C(NCC[NH+]1CCOCC1)Nc1cccc2c1OCO2 ZINC000329342765 361484522 /nfs/dbraw/zinc/48/45/22/361484522.db2.gz STFCJVKBXISCRZ-UHFFFAOYSA-N 1 2 293.323 1.073 20 30 CDEDLO CC1(C#N)CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000329348510 361485813 /nfs/dbraw/zinc/48/58/13/361485813.db2.gz SELFSDRTKWIQFZ-CYBMUJFWSA-N 1 2 277.368 1.002 20 30 CDEDLO CC1(C#N)CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000329348510 361485816 /nfs/dbraw/zinc/48/58/16/361485816.db2.gz SELFSDRTKWIQFZ-CYBMUJFWSA-N 1 2 277.368 1.002 20 30 CDEDLO C[C@H](C(=O)NC(=O)NC1CC1)N1CCn2cc[nH+]c2C1 ZINC000329349765 361486753 /nfs/dbraw/zinc/48/67/53/361486753.db2.gz STCSDVAJZMXFPC-SECBINFHSA-N 1 2 277.328 1.120 20 30 CDEDLO Cn1cc([C@@H](CO)[NH2+]Cc2ccc(C#N)cc2F)cn1 ZINC000270138802 239007319 /nfs/dbraw/zinc/00/73/19/239007319.db2.gz ARKWANNISQLVRA-CQSZACIVSA-N 1 2 274.299 1.254 20 30 CDEDLO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000329647452 361637616 /nfs/dbraw/zinc/63/76/16/361637616.db2.gz BGWGEDHNLWTRCK-NTZNESFSSA-N 1 2 276.361 1.797 20 30 CDEDLO Cc1[nH+]c2cc(NC(=O)C(=O)N[C@@H](C)CC#N)ccc2n1C ZINC000526380190 363949175 /nfs/dbraw/zinc/94/91/75/363949175.db2.gz WYTWVHIOSKUFRP-VIFPVBQESA-N 1 2 299.334 1.239 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1ccccc1COC ZINC000566428576 370718498 /nfs/dbraw/zinc/71/84/98/370718498.db2.gz GUXAQBAJDDPPHU-HNNXBMFYSA-N 1 2 289.379 1.731 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000490674616 364171240 /nfs/dbraw/zinc/17/12/40/364171240.db2.gz CFZYIYHTRIBNFO-HUUCEWRRSA-N 1 2 260.381 1.734 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000490674616 364171244 /nfs/dbraw/zinc/17/12/44/364171244.db2.gz CFZYIYHTRIBNFO-HUUCEWRRSA-N 1 2 260.381 1.734 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC(CCC#N)CC1 ZINC000566558191 370762334 /nfs/dbraw/zinc/76/23/34/370762334.db2.gz DDLJMSVOWAJXQA-CYBMUJFWSA-N 1 2 289.383 1.997 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000374635731 370738051 /nfs/dbraw/zinc/73/80/51/370738051.db2.gz JCJZDDPDWUDQHY-NOOOWODRSA-N 1 2 273.760 1.922 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000374635731 370738055 /nfs/dbraw/zinc/73/80/55/370738055.db2.gz JCJZDDPDWUDQHY-NOOOWODRSA-N 1 2 273.760 1.922 20 30 CDEDLO C[C@H](CNc1nccc(C#N)c1Cl)Cn1cc[nH+]c1 ZINC000347113482 364915865 /nfs/dbraw/zinc/91/58/65/364915865.db2.gz UXJPUNWLTJPMQY-SNVBAGLBSA-N 1 2 275.743 1.973 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(F)cc2C)nn1 ZINC000641093258 365045144 /nfs/dbraw/zinc/04/51/44/365045144.db2.gz CXSGFFPGXYMJGF-UHFFFAOYSA-N 1 2 272.327 1.887 20 30 CDEDLO C=CCNC(=O)C[N@H+]1C[C@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000472354223 365069131 /nfs/dbraw/zinc/06/91/31/365069131.db2.gz SVFFBBUZYJDETN-KBPBESRZSA-N 1 2 281.400 1.010 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1C[C@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000472354223 365069141 /nfs/dbraw/zinc/06/91/41/365069141.db2.gz SVFFBBUZYJDETN-KBPBESRZSA-N 1 2 281.400 1.010 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)[C@@H](C)c2ccccc2)nn1 ZINC000641219500 365229448 /nfs/dbraw/zinc/22/94/48/365229448.db2.gz IAXSMVRYSQYKPA-YOEHRIQHSA-N 1 2 298.390 1.556 20 30 CDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCOC3(CCC3)C2)cc1 ZINC000270937565 366944943 /nfs/dbraw/zinc/94/49/43/366944943.db2.gz XYFBGXHBJVKNEE-UHFFFAOYSA-N 1 2 299.374 1.429 20 30 CDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCOC3(CCC3)C2)cc1 ZINC000270937565 366944949 /nfs/dbraw/zinc/94/49/49/366944949.db2.gz XYFBGXHBJVKNEE-UHFFFAOYSA-N 1 2 299.374 1.429 20 30 CDEDLO COCc1noc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)n1 ZINC000272268594 367575986 /nfs/dbraw/zinc/57/59/86/367575986.db2.gz OLISBCLPUMQQCA-JTQLQIEISA-N 1 2 272.308 1.938 20 30 CDEDLO N#CCN1CC[NH+](Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000538716616 368346388 /nfs/dbraw/zinc/34/63/88/368346388.db2.gz SVTMHSHKGQVRSF-UHFFFAOYSA-N 1 2 293.374 1.785 20 30 CDEDLO C=CCCCC[N@H+]1CC[S@](=O)C[C@@H]1c1cnn(C)c1 ZINC000556235242 370240890 /nfs/dbraw/zinc/24/08/90/370240890.db2.gz ZNNUAWYHPMJSCF-KUHUBIRLSA-N 1 2 281.425 1.882 20 30 CDEDLO C=CCCCC[N@@H+]1CC[S@](=O)C[C@@H]1c1cnn(C)c1 ZINC000556235242 370240896 /nfs/dbraw/zinc/24/08/96/370240896.db2.gz ZNNUAWYHPMJSCF-KUHUBIRLSA-N 1 2 281.425 1.882 20 30 CDEDLO CCCc1nc(C)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)o1 ZINC000564803652 370263708 /nfs/dbraw/zinc/26/37/08/370263708.db2.gz QRCXMNJHOISCFA-AWEZNQCLSA-N 1 2 278.356 1.509 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccsc1 ZINC000564872908 370283136 /nfs/dbraw/zinc/28/31/36/370283136.db2.gz XNVZLCIRVZJNQN-GFCCVEGCSA-N 1 2 251.355 1.251 20 30 CDEDLO C[C@@H]1C[NH+](CCSc2nnc(CC#N)n2C)C[C@@H](C)O1 ZINC000565241087 370401385 /nfs/dbraw/zinc/40/13/85/370401385.db2.gz PUEZSQYZRFDWEU-GHMZBOCLSA-N 1 2 295.412 1.082 20 30 CDEDLO CC(=O)c1cc(C)ccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000568051145 371201261 /nfs/dbraw/zinc/20/12/61/371201261.db2.gz DBUPMYYLTFXIAV-AWEZNQCLSA-N 1 2 290.363 1.783 20 30 CDEDLO CC(=O)c1cc(C)ccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000568051145 371201265 /nfs/dbraw/zinc/20/12/65/371201265.db2.gz DBUPMYYLTFXIAV-AWEZNQCLSA-N 1 2 290.363 1.783 20 30 CDEDLO CSc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccn1 ZINC000578512204 372489105 /nfs/dbraw/zinc/48/91/05/372489105.db2.gz QQWSUBZVIDDYFW-CYBMUJFWSA-N 1 2 278.381 1.377 20 30 CDEDLO Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000578632078 372524107 /nfs/dbraw/zinc/52/41/07/372524107.db2.gz KEUFPKHEGLDTBT-BMIGLBTASA-N 1 2 291.399 1.101 20 30 CDEDLO CCCCS[C@@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000578776229 372545136 /nfs/dbraw/zinc/54/51/36/372545136.db2.gz ZNSCBLOHSZFJIP-AAEUAGOBSA-N 1 2 271.430 1.868 20 30 CDEDLO C[C@H](C#N)CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000182868512 372631168 /nfs/dbraw/zinc/63/11/68/372631168.db2.gz SEZSLQZVTWEHBJ-MNOVXSKESA-N 1 2 261.329 1.806 20 30 CDEDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1OC ZINC000120790087 372780997 /nfs/dbraw/zinc/78/09/97/372780997.db2.gz OYQTXZVHYSCWPO-CQSZACIVSA-N 1 2 287.363 1.667 20 30 CDEDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1OC ZINC000120790087 372781005 /nfs/dbraw/zinc/78/10/05/372781005.db2.gz OYQTXZVHYSCWPO-CQSZACIVSA-N 1 2 287.363 1.667 20 30 CDEDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cnn(C)c1 ZINC000348306277 373101201 /nfs/dbraw/zinc/10/12/01/373101201.db2.gz DAFLOSQITYJDBW-IINYFYTJSA-N 1 2 283.335 1.169 20 30 CDEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cc(C)on1 ZINC000191133555 373457112 /nfs/dbraw/zinc/45/71/12/373457112.db2.gz KWDNHZMWAZSXBZ-UHFFFAOYSA-N 1 2 253.302 1.056 20 30 CDEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cc(C)on1 ZINC000191133555 373457118 /nfs/dbraw/zinc/45/71/18/373457118.db2.gz KWDNHZMWAZSXBZ-UHFFFAOYSA-N 1 2 253.302 1.056 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCN(CCC#N)Cc1ccco1 ZINC000191525598 373511956 /nfs/dbraw/zinc/51/19/56/373511956.db2.gz WDUDNWMOKKMBPZ-CQSZACIVSA-N 1 2 277.368 1.716 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCN(CCC#N)Cc1ccco1 ZINC000191525598 373511963 /nfs/dbraw/zinc/51/19/63/373511963.db2.gz WDUDNWMOKKMBPZ-CQSZACIVSA-N 1 2 277.368 1.716 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000584527916 373942283 /nfs/dbraw/zinc/94/22/83/373942283.db2.gz PAKGSAAUAFSLEZ-HNNXBMFYSA-N 1 2 278.396 1.688 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000584527916 373942291 /nfs/dbraw/zinc/94/22/91/373942291.db2.gz PAKGSAAUAFSLEZ-HNNXBMFYSA-N 1 2 278.396 1.688 20 30 CDEDLO Cc1noc(C)c1C[NH+]1CCN(c2cccnc2C#N)CC1 ZINC000274050198 374079488 /nfs/dbraw/zinc/07/94/88/374079488.db2.gz NZVSAWMEXWETIG-UHFFFAOYSA-N 1 2 297.362 1.880 20 30 CDEDLO COCC1=CC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000360769819 374025496 /nfs/dbraw/zinc/02/54/96/374025496.db2.gz CGXWELGAROJRBS-HNNXBMFYSA-N 1 2 285.347 1.363 20 30 CDEDLO COCC1=CC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000360769819 374025510 /nfs/dbraw/zinc/02/55/10/374025510.db2.gz CGXWELGAROJRBS-HNNXBMFYSA-N 1 2 285.347 1.363 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)CCCO1 ZINC000061918357 374121283 /nfs/dbraw/zinc/12/12/83/374121283.db2.gz VAJWTXVEFYOFGU-LBPRGKRZSA-N 1 2 273.336 1.608 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CCCO1 ZINC000061918357 374121293 /nfs/dbraw/zinc/12/12/93/374121293.db2.gz VAJWTXVEFYOFGU-LBPRGKRZSA-N 1 2 273.336 1.608 20 30 CDEDLO C[C@H]1C[NH+]=C(N2CCN(c3cccnc3C#N)CC2)S1 ZINC000274064438 374091153 /nfs/dbraw/zinc/09/11/53/374091153.db2.gz PERUUVBPXNOMMT-NSHDSACASA-N 1 2 287.392 1.567 20 30 CDEDLO C[C@H]1CC[S@](=O)CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000369785928 374366513 /nfs/dbraw/zinc/36/65/13/374366513.db2.gz CCINZJOKNTYRJG-RBZFPXEDSA-N 1 2 292.404 1.780 20 30 CDEDLO C[C@H]1CC[S@](=O)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000369785928 374366517 /nfs/dbraw/zinc/36/65/17/374366517.db2.gz CCINZJOKNTYRJG-RBZFPXEDSA-N 1 2 292.404 1.780 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C[C@H](C2CC2)O1 ZINC000332931546 374635346 /nfs/dbraw/zinc/63/53/46/374635346.db2.gz WNUZNUCDYWUTIV-XFJVYGCCSA-N 1 2 291.395 1.294 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C[C@H](C2CC2)O1 ZINC000332931546 374635359 /nfs/dbraw/zinc/63/53/59/374635359.db2.gz WNUZNUCDYWUTIV-XFJVYGCCSA-N 1 2 291.395 1.294 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)CCOc1ccccc1C#N ZINC000069863235 374621540 /nfs/dbraw/zinc/62/15/40/374621540.db2.gz FWBOOEGDDSQUJO-LBPRGKRZSA-N 1 2 296.392 1.302 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)CCOc1ccccc1C#N ZINC000069863235 374621545 /nfs/dbraw/zinc/62/15/45/374621545.db2.gz FWBOOEGDDSQUJO-LBPRGKRZSA-N 1 2 296.392 1.302 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000449529670 374818225 /nfs/dbraw/zinc/81/82/25/374818225.db2.gz YWSYXVJZQPLCDT-HNNXBMFYSA-N 1 2 292.404 1.957 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000449529670 374818233 /nfs/dbraw/zinc/81/82/33/374818233.db2.gz YWSYXVJZQPLCDT-HNNXBMFYSA-N 1 2 292.404 1.957 20 30 CDEDLO C[C@H]1CC[N@H+](CCOc2cccc(C#N)c2)CC[S@]1=O ZINC000277215823 374777578 /nfs/dbraw/zinc/77/75/78/374777578.db2.gz NOKVJEKAKKGJHQ-RNODOKPDSA-N 1 2 292.404 1.780 20 30 CDEDLO C[C@H]1CC[N@@H+](CCOc2cccc(C#N)c2)CC[S@]1=O ZINC000277215823 374777583 /nfs/dbraw/zinc/77/75/83/374777583.db2.gz NOKVJEKAKKGJHQ-RNODOKPDSA-N 1 2 292.404 1.780 20 30 CDEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000330550265 374861469 /nfs/dbraw/zinc/86/14/69/374861469.db2.gz CBMQLGFZBJZOKU-DOMZBBRYSA-N 1 2 287.363 1.456 20 30 CDEDLO CC[N@H+]1CCOC[C@H]1C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000330550265 374861484 /nfs/dbraw/zinc/86/14/84/374861484.db2.gz CBMQLGFZBJZOKU-DOMZBBRYSA-N 1 2 287.363 1.456 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+](C)C2CC(O)C2)c(C#N)c1C ZINC000331557571 374972629 /nfs/dbraw/zinc/97/26/29/374972629.db2.gz WNTOJVQZIHYBSQ-UHFFFAOYSA-N 1 2 277.324 1.162 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+](C)C2CC(O)C2)c(C#N)c1C ZINC000331557571 374972636 /nfs/dbraw/zinc/97/26/36/374972636.db2.gz WNTOJVQZIHYBSQ-UHFFFAOYSA-N 1 2 277.324 1.162 20 30 CDEDLO COCc1nc(C[NH2+]Cc2cc(C#N)n(C)c2)cs1 ZINC000353234054 375159865 /nfs/dbraw/zinc/15/98/65/375159865.db2.gz XNEQOIBTCKGNPO-UHFFFAOYSA-N 1 2 276.365 1.789 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)CNc1cccc(C#N)c1 ZINC000426589487 247043170 /nfs/dbraw/zinc/04/31/70/247043170.db2.gz XVIUTYASBKZZBY-UHFFFAOYSA-N 1 2 269.308 1.352 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCC2CCC2)C1 ZINC000328775280 375953545 /nfs/dbraw/zinc/95/35/45/375953545.db2.gz KPBSOIKESKABPH-LBPRGKRZSA-N 1 2 262.357 1.924 20 30 CDEDLO CN(C(=O)NCC[N@@H+]1CCOC(C)(C)C1)C1CCOCC1 ZINC000328786003 375969734 /nfs/dbraw/zinc/96/97/34/375969734.db2.gz IXCQHNLUPKMVNX-UHFFFAOYSA-N 1 2 299.415 1.122 20 30 CDEDLO CN(C(=O)NCC[N@H+]1CCOC(C)(C)C1)C1CCOCC1 ZINC000328786003 375969737 /nfs/dbraw/zinc/96/97/37/375969737.db2.gz IXCQHNLUPKMVNX-UHFFFAOYSA-N 1 2 299.415 1.122 20 30 CDEDLO C[C@H](C(=O)N[C@H]1CCCN(C)C1=O)[NH+]1CCSCC1 ZINC000328949322 376018072 /nfs/dbraw/zinc/01/80/72/376018072.db2.gz NAWIOYNIXFTCKM-MNOVXSKESA-N 1 2 285.413 1.001 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cccc(C#N)c1 ZINC000330628918 376297567 /nfs/dbraw/zinc/29/75/67/376297567.db2.gz ZVNSREXFVOCXAZ-LBPRGKRZSA-N 1 2 273.336 1.584 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cccc(C#N)c1 ZINC000330628918 376297571 /nfs/dbraw/zinc/29/75/71/376297571.db2.gz ZVNSREXFVOCXAZ-LBPRGKRZSA-N 1 2 273.336 1.584 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248471104 377279397 /nfs/dbraw/zinc/27/93/97/377279397.db2.gz VNZOOZTZKQQJBM-VXGBXAGGSA-N 1 2 293.323 1.568 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248471104 377279410 /nfs/dbraw/zinc/27/94/10/377279410.db2.gz VNZOOZTZKQQJBM-VXGBXAGGSA-N 1 2 293.323 1.568 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N(C)Cc1ccc(OC)cc1 ZINC000076185661 377467192 /nfs/dbraw/zinc/46/71/92/377467192.db2.gz CGRUHRQFRWEVDG-UHFFFAOYSA-N 1 2 284.359 1.222 20 30 CDEDLO C=CC[N@@H+](Cc1cc(C)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000092361550 377970597 /nfs/dbraw/zinc/97/05/97/377970597.db2.gz KENFQOKTEYAUBO-AWEZNQCLSA-N 1 2 295.404 1.876 20 30 CDEDLO C=CC[N@H+](Cc1cc(C)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000092361550 377970607 /nfs/dbraw/zinc/97/06/07/377970607.db2.gz KENFQOKTEYAUBO-AWEZNQCLSA-N 1 2 295.404 1.876 20 30 CDEDLO CC[N@H+](Cc1nc(N)nc(N)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000173222105 378071876 /nfs/dbraw/zinc/07/18/76/378071876.db2.gz WLESDQMXLYGADA-SNVBAGLBSA-N 1 2 297.366 1.491 20 30 CDEDLO CC[N@@H+](Cc1nc(N)nc(N)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000173222105 378071879 /nfs/dbraw/zinc/07/18/79/378071879.db2.gz WLESDQMXLYGADA-SNVBAGLBSA-N 1 2 297.366 1.491 20 30 CDEDLO CC#CC[C@@H](CO)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000645404836 378152771 /nfs/dbraw/zinc/15/27/71/378152771.db2.gz PHNVTIVNVDWYSI-LBPRGKRZSA-N 1 2 260.341 1.485 20 30 CDEDLO CC#CC[C@@H](CO)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000645404836 378152775 /nfs/dbraw/zinc/15/27/75/378152775.db2.gz PHNVTIVNVDWYSI-LBPRGKRZSA-N 1 2 260.341 1.485 20 30 CDEDLO CCc1noc([C@@H](C)N2CC[NH+](CCCC#N)CC2)n1 ZINC000105865161 378471226 /nfs/dbraw/zinc/47/12/26/378471226.db2.gz GMAJMQUDHSTNHI-GFCCVEGCSA-N 1 2 277.372 1.614 20 30 CDEDLO C=C[C@@H](CO)Nc1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000292677195 378508737 /nfs/dbraw/zinc/50/87/37/378508737.db2.gz AYWFGVGHNCCTKU-NEPJUHHUSA-N 1 2 262.357 1.672 20 30 CDEDLO C=C[C@@H](CO)Nc1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000292677195 378508743 /nfs/dbraw/zinc/50/87/43/378508743.db2.gz AYWFGVGHNCCTKU-NEPJUHHUSA-N 1 2 262.357 1.672 20 30 CDEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000293234536 378548492 /nfs/dbraw/zinc/54/84/92/378548492.db2.gz SLKPIDCWYBEAKL-GFCCVEGCSA-N 1 2 287.363 1.927 20 30 CDEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000293234536 378548500 /nfs/dbraw/zinc/54/85/00/378548500.db2.gz SLKPIDCWYBEAKL-GFCCVEGCSA-N 1 2 287.363 1.927 20 30 CDEDLO C=CCOCC[N@@H+]1CCc2ccccc2[C@@H]1C(=O)OC ZINC000293698269 378584573 /nfs/dbraw/zinc/58/45/73/378584573.db2.gz CNQBVBVWEINDCK-OAHLLOKOSA-N 1 2 275.348 1.961 20 30 CDEDLO C=CCOCC[N@H+]1CCc2ccccc2[C@@H]1C(=O)OC ZINC000293698269 378584578 /nfs/dbraw/zinc/58/45/78/378584578.db2.gz CNQBVBVWEINDCK-OAHLLOKOSA-N 1 2 275.348 1.961 20 30 CDEDLO C=CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CC1 ZINC000343761044 378959356 /nfs/dbraw/zinc/95/93/56/378959356.db2.gz JKRWDRFWQVDOBM-UHFFFAOYSA-N 1 2 291.376 1.377 20 30 CDEDLO C=CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CC1 ZINC000343761044 378959366 /nfs/dbraw/zinc/95/93/66/378959366.db2.gz JKRWDRFWQVDOBM-UHFFFAOYSA-N 1 2 291.376 1.377 20 30 CDEDLO C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ncn(C)n1 ZINC000444740281 250179483 /nfs/dbraw/zinc/17/94/83/250179483.db2.gz FRYXEMCVWXVZIQ-NSHDSACASA-N 1 2 298.350 1.366 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(C#N)c1 ZINC000042509984 379608360 /nfs/dbraw/zinc/60/83/60/379608360.db2.gz ZLIBJZTVQMGXGA-NSHDSACASA-N 1 2 254.293 1.573 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000450114519 251138287 /nfs/dbraw/zinc/13/82/87/251138287.db2.gz OABCWTLYPRVUJX-CQSZACIVSA-N 1 2 296.330 1.883 20 30 CDEDLO C=CCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000658389702 412967745 /nfs/dbraw/zinc/96/77/45/412967745.db2.gz OSJFCUAGMYKQLK-UHFFFAOYSA-N 1 2 286.335 1.513 20 30 CDEDLO CCN(CCC#N)C(=O)C[NH+]1Cc2ccccc2C1 ZINC000112731369 390794760 /nfs/dbraw/zinc/79/47/60/390794760.db2.gz BSESLXUJSREWRD-UHFFFAOYSA-N 1 2 257.337 1.764 20 30 CDEDLO C=CCNC(=O)c1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000049715572 390804529 /nfs/dbraw/zinc/80/45/29/390804529.db2.gz JPGCAJDJKWHODX-UHFFFAOYSA-N 1 2 256.309 1.938 20 30 CDEDLO Cc1[nH+]c2ccccn2c1CN1CCO[C@@H](C#N)C1 ZINC000160159395 390944909 /nfs/dbraw/zinc/94/49/09/390944909.db2.gz SXIJVGBLUUGCOV-LBPRGKRZSA-N 1 2 256.309 1.367 20 30 CDEDLO Cc1cccc(C)c1NC(=O)[C@H](C)O[NH+]=C(N)CCO ZINC000121356198 390884438 /nfs/dbraw/zinc/88/44/38/390884438.db2.gz YNKJENOLVCWZSZ-NSHDSACASA-N 1 2 279.340 1.302 20 30 CDEDLO C[C@@H]1CCc2ccccc2N1C(=O)CO[NH+]=C(N)CCO ZINC000121371760 390884715 /nfs/dbraw/zinc/88/47/15/390884715.db2.gz PMLMTMRCAXLTEO-LLVKDONJSA-N 1 2 291.351 1.026 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000426881125 390909390 /nfs/dbraw/zinc/90/93/90/390909390.db2.gz HKFYZAXZAVQGMM-BFHYXJOUSA-N 1 2 277.368 1.617 20 30 CDEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1snnc1C1CC1 ZINC000329573741 391019046 /nfs/dbraw/zinc/01/90/46/391019046.db2.gz NMKWVGXKHRTZRK-VIFPVBQESA-N 1 2 289.364 1.932 20 30 CDEDLO Cc1ccc(NC(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)c(C)[nH+]1 ZINC000329588374 391020639 /nfs/dbraw/zinc/02/06/39/391020639.db2.gz XPVXKUVQJSIMPT-OBJOEFQTSA-N 1 2 275.352 1.947 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000160605317 391106832 /nfs/dbraw/zinc/10/68/32/391106832.db2.gz RICDRBCGUQCULZ-AWEZNQCLSA-N 1 2 275.327 1.750 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000160605317 391106834 /nfs/dbraw/zinc/10/68/34/391106834.db2.gz RICDRBCGUQCULZ-AWEZNQCLSA-N 1 2 275.327 1.750 20 30 CDEDLO C[C@H](NC(=O)N1CCn2c[nH+]cc2C1)[C@H]1CCCOC1 ZINC000329643219 391062624 /nfs/dbraw/zinc/06/26/24/391062624.db2.gz ICVNKLBZDQNECB-RYUDHWBXSA-N 1 2 278.356 1.428 20 30 CDEDLO C[C@H]([NH+]=C([O-])N1CCn2c[nH+]cc2C1)[C@H]1CCCOC1 ZINC000329643219 391062627 /nfs/dbraw/zinc/06/26/27/391062627.db2.gz ICVNKLBZDQNECB-RYUDHWBXSA-N 1 2 278.356 1.428 20 30 CDEDLO CC(=O)N[C@H](C)C1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356440676 391068765 /nfs/dbraw/zinc/06/87/65/391068765.db2.gz QLDAEQYXEPBZCA-SNVBAGLBSA-N 1 2 292.408 1.751 20 30 CDEDLO O=C(NCC1=CCCOC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000329718949 391094520 /nfs/dbraw/zinc/09/45/20/391094520.db2.gz ZRPBLXYYDMYMAC-UHFFFAOYSA-N 1 2 290.367 1.781 20 30 CDEDLO [O-]C(=[NH+]CC1=CCCOC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000329718949 391094534 /nfs/dbraw/zinc/09/45/34/391094534.db2.gz ZRPBLXYYDMYMAC-UHFFFAOYSA-N 1 2 290.367 1.781 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121536439 391121361 /nfs/dbraw/zinc/12/13/61/391121361.db2.gz MUSHBUYTYRDIRY-RHSMWYFYSA-N 1 2 286.375 1.372 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121536439 391121365 /nfs/dbraw/zinc/12/13/65/391121365.db2.gz MUSHBUYTYRDIRY-RHSMWYFYSA-N 1 2 286.375 1.372 20 30 CDEDLO CCN(CC)c1ccc(CNS(=O)(=O)[C@H](C)C#N)c[nH+]1 ZINC000352412706 391127823 /nfs/dbraw/zinc/12/78/23/391127823.db2.gz HZWASRDDZDSHAW-LLVKDONJSA-N 1 2 296.396 1.259 20 30 CDEDLO C=C(C)COCCNC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000345325400 391135165 /nfs/dbraw/zinc/13/51/65/391135165.db2.gz UAFCGWJONDJBQT-CYBMUJFWSA-N 1 2 292.383 1.763 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](O)COc1ccc(C)cc1C ZINC000491475242 391141915 /nfs/dbraw/zinc/14/19/15/391141915.db2.gz VAOANTUNRZZELF-HZPDHXFCSA-N 1 2 289.375 1.377 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](O)COc1ccc(C)cc1C ZINC000491475242 391141918 /nfs/dbraw/zinc/14/19/18/391141918.db2.gz VAOANTUNRZZELF-HZPDHXFCSA-N 1 2 289.375 1.377 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000345372852 391190723 /nfs/dbraw/zinc/19/07/23/391190723.db2.gz BSIMBUIUEBCCFL-KBPBESRZSA-N 1 2 284.400 1.147 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000375902826 391204913 /nfs/dbraw/zinc/20/49/13/391204913.db2.gz GQDCCBXYHISWQA-GXTWGEPZSA-N 1 2 279.384 1.248 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000375902826 391204915 /nfs/dbraw/zinc/20/49/15/391204915.db2.gz GQDCCBXYHISWQA-GXTWGEPZSA-N 1 2 279.384 1.248 20 30 CDEDLO CCCN(CC#N)C(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339266187 391276386 /nfs/dbraw/zinc/27/63/86/391276386.db2.gz UIZYLFIAKMWTNK-UONOGXRCSA-N 1 2 281.400 1.638 20 30 CDEDLO CCCN(CC#N)C(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000339266187 391276387 /nfs/dbraw/zinc/27/63/87/391276387.db2.gz UIZYLFIAKMWTNK-UONOGXRCSA-N 1 2 281.400 1.638 20 30 CDEDLO COCCn1cc(C[N@H+](CCC#N)CC2CC2)cn1 ZINC000271152681 391290081 /nfs/dbraw/zinc/29/00/81/391290081.db2.gz FXZNUJKIFUVHRU-UHFFFAOYSA-N 1 2 262.357 1.655 20 30 CDEDLO COCCn1cc(C[N@@H+](CCC#N)CC2CC2)cn1 ZINC000271152681 391290084 /nfs/dbraw/zinc/29/00/84/391290084.db2.gz FXZNUJKIFUVHRU-UHFFFAOYSA-N 1 2 262.357 1.655 20 30 CDEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@@H](C#N)C1 ZINC000106052499 391337925 /nfs/dbraw/zinc/33/79/25/391337925.db2.gz TZLDCQTZTPKBLB-LBPRGKRZSA-N 1 2 298.346 1.350 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000346231842 391340280 /nfs/dbraw/zinc/34/02/80/391340280.db2.gz UNNRFONONSHTEO-KGLIPLIRSA-N 1 2 277.368 1.713 20 30 CDEDLO C[C@@H]1COc2ccccc2C[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000346953297 391377820 /nfs/dbraw/zinc/37/78/20/391377820.db2.gz WFTZGKFFKHYRIR-CYBMUJFWSA-N 1 2 299.374 1.832 20 30 CDEDLO C[C@@H]1COc2ccccc2C[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000346953297 391377823 /nfs/dbraw/zinc/37/78/23/391377823.db2.gz WFTZGKFFKHYRIR-CYBMUJFWSA-N 1 2 299.374 1.832 20 30 CDEDLO Cn1ncc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1C1CC1 ZINC000328968933 391400515 /nfs/dbraw/zinc/40/05/15/391400515.db2.gz UHCWHMMVSXXBTM-SNVBAGLBSA-N 1 2 285.351 1.883 20 30 CDEDLO Cn1ncc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1C1CC1 ZINC000328968933 391400520 /nfs/dbraw/zinc/40/05/20/391400520.db2.gz UHCWHMMVSXXBTM-SNVBAGLBSA-N 1 2 285.351 1.883 20 30 CDEDLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000330464336 391426163 /nfs/dbraw/zinc/42/61/63/391426163.db2.gz DSOKAUUFPCQASN-MRVPVSSYSA-N 1 2 293.289 1.619 20 30 CDEDLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000330464336 391426167 /nfs/dbraw/zinc/42/61/67/391426167.db2.gz DSOKAUUFPCQASN-MRVPVSSYSA-N 1 2 293.289 1.619 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000339955912 391475782 /nfs/dbraw/zinc/47/57/82/391475782.db2.gz SJRPMKOHXLMDLF-GFCCVEGCSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000339955912 391475785 /nfs/dbraw/zinc/47/57/85/391475785.db2.gz SJRPMKOHXLMDLF-GFCCVEGCSA-N 1 2 254.374 1.426 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@](C)(F)C1 ZINC000335850710 391596174 /nfs/dbraw/zinc/59/61/74/391596174.db2.gz CEBXFBFTOFWPMY-PWSUYJOCSA-N 1 2 253.321 1.371 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@](C)(F)C1 ZINC000335850710 391596180 /nfs/dbraw/zinc/59/61/80/391596180.db2.gz CEBXFBFTOFWPMY-PWSUYJOCSA-N 1 2 253.321 1.371 20 30 CDEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000412360051 391615245 /nfs/dbraw/zinc/61/52/45/391615245.db2.gz QVQIIFUZRNIAOB-CYBMUJFWSA-N 1 2 296.411 1.590 20 30 CDEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000412360051 391615248 /nfs/dbraw/zinc/61/52/48/391615248.db2.gz QVQIIFUZRNIAOB-CYBMUJFWSA-N 1 2 296.411 1.590 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2c2cc[nH]n2)C1=O ZINC000285404107 391716638 /nfs/dbraw/zinc/71/66/38/391716638.db2.gz PARZSDKDLWZMEH-ZIAGYGMSSA-N 1 2 274.368 1.724 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2c2cc[nH]n2)C1=O ZINC000285404107 391716639 /nfs/dbraw/zinc/71/66/39/391716639.db2.gz PARZSDKDLWZMEH-ZIAGYGMSSA-N 1 2 274.368 1.724 20 30 CDEDLO C=C[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000362372168 391721473 /nfs/dbraw/zinc/72/14/73/391721473.db2.gz XWLVFUJRFLJVAX-LBPRGKRZSA-N 1 2 290.367 1.292 20 30 CDEDLO CCOC[C@H](O)C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341822053 130057799 /nfs/dbraw/zinc/05/77/99/130057799.db2.gz WTWHNJJLTBRRFF-HZPDHXFCSA-N 1 2 290.363 1.329 20 30 CDEDLO CCOC[C@H](O)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341822053 130057801 /nfs/dbraw/zinc/05/78/01/130057801.db2.gz WTWHNJJLTBRRFF-HZPDHXFCSA-N 1 2 290.363 1.329 20 30 CDEDLO Cc1nc2cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc2o1 ZINC000520234953 391754811 /nfs/dbraw/zinc/75/48/11/391754811.db2.gz LGBIDXXLKBUAAI-HNNXBMFYSA-N 1 2 286.335 1.710 20 30 CDEDLO Cn1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c(C2CC2)n1 ZINC000329733564 391765840 /nfs/dbraw/zinc/76/58/40/391765840.db2.gz QWIOTFRPKQFSRX-JTQLQIEISA-N 1 2 285.351 1.883 20 30 CDEDLO Cn1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c(C2CC2)n1 ZINC000329733564 391765847 /nfs/dbraw/zinc/76/58/47/391765847.db2.gz QWIOTFRPKQFSRX-JTQLQIEISA-N 1 2 285.351 1.883 20 30 CDEDLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191469400 130241595 /nfs/dbraw/zinc/24/15/95/130241595.db2.gz IXEAGSSZXPUHMU-CYBMUJFWSA-N 1 2 261.325 1.424 20 30 CDEDLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191469400 130241596 /nfs/dbraw/zinc/24/15/96/130241596.db2.gz IXEAGSSZXPUHMU-CYBMUJFWSA-N 1 2 261.325 1.424 20 30 CDEDLO Cc1nnc(SCC[N@@H+]2CCO[C@H](C)C2)c(C#N)c1C ZINC000191558077 130254272 /nfs/dbraw/zinc/25/42/72/130254272.db2.gz DYJZXPLYGRPXAZ-SNVBAGLBSA-N 1 2 292.408 1.778 20 30 CDEDLO Cc1nnc(SCC[N@H+]2CCO[C@H](C)C2)c(C#N)c1C ZINC000191558077 130254274 /nfs/dbraw/zinc/25/42/74/130254274.db2.gz DYJZXPLYGRPXAZ-SNVBAGLBSA-N 1 2 292.408 1.778 20 30 CDEDLO CC[N@H+](CC(N)=O)Cc1cn2ccccc2c1C#N ZINC000191735119 130293025 /nfs/dbraw/zinc/29/30/25/130293025.db2.gz VVLHFONTHVNGHS-UHFFFAOYSA-N 1 2 256.309 1.118 20 30 CDEDLO CC[N@@H+](CC(N)=O)Cc1cn2ccccc2c1C#N ZINC000191735119 130293027 /nfs/dbraw/zinc/29/30/27/130293027.db2.gz VVLHFONTHVNGHS-UHFFFAOYSA-N 1 2 256.309 1.118 20 30 CDEDLO O=C(C[C@@H]1CCCCO1)NCC1([NH+]2CCOCC2)CC1 ZINC000329873958 391793186 /nfs/dbraw/zinc/79/31/86/391793186.db2.gz CNSJMTQADRKMLO-ZDUSSCGKSA-N 1 2 282.384 1.767 20 30 CDEDLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCc2c[nH]nc2C1 ZINC000329879319 391794374 /nfs/dbraw/zinc/79/43/74/391794374.db2.gz MBKBDPJIZKJIMA-LLVKDONJSA-N 1 2 259.313 1.510 20 30 CDEDLO CC1(C)CC[C@H](C(=O)NCC2([NH+]3CCOCC3)CC2)O1 ZINC000329902673 391796756 /nfs/dbraw/zinc/79/67/56/391796756.db2.gz HWAYCCPFQOLTEY-GFCCVEGCSA-N 1 2 282.384 1.765 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCc1ccc(NC(=O)OC)cc1 ZINC000192221122 130395648 /nfs/dbraw/zinc/39/56/48/130395648.db2.gz MYZRQEWMSCBNSI-UHFFFAOYSA-N 1 2 289.335 1.046 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCc1ccc(NC(=O)OC)cc1 ZINC000192221122 130395651 /nfs/dbraw/zinc/39/56/51/130395651.db2.gz MYZRQEWMSCBNSI-UHFFFAOYSA-N 1 2 289.335 1.046 20 30 CDEDLO CC(C)[C@@H]1CCN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330284326 391815890 /nfs/dbraw/zinc/81/58/90/391815890.db2.gz XIHLBZZFOJFCSE-NEPJUHHUSA-N 1 2 262.357 1.842 20 30 CDEDLO CC(C)[C@@H]1CCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330284326 391815894 /nfs/dbraw/zinc/81/58/94/391815894.db2.gz XIHLBZZFOJFCSE-NEPJUHHUSA-N 1 2 262.357 1.842 20 30 CDEDLO C=CC[C@H](CO)CNc1cc(NCCCC)[nH+]c(N)n1 ZINC000342920205 392064194 /nfs/dbraw/zinc/06/41/94/392064194.db2.gz XSLVTYUYFOYJLP-NSHDSACASA-N 1 2 279.388 1.120 20 30 CDEDLO C=CC[C@H](CO)CNc1cc(NCCCC)nc(N)[nH+]1 ZINC000342920205 392064200 /nfs/dbraw/zinc/06/42/00/392064200.db2.gz XSLVTYUYFOYJLP-NSHDSACASA-N 1 2 279.388 1.120 20 30 CDEDLO C[C@@H](Nc1ncc(C#N)cc1F)[C@@H](C)[NH+]1CCOCC1 ZINC000413121758 392825148 /nfs/dbraw/zinc/82/51/48/392825148.db2.gz HRZRMTPMCTZFMB-GHMZBOCLSA-N 1 2 278.331 1.613 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)n(C)n1 ZINC000417704415 392873072 /nfs/dbraw/zinc/87/30/72/392873072.db2.gz QOZGVKGMAGHQLI-UHFFFAOYSA-N 1 2 295.390 1.922 20 30 CDEDLO C[C@@H]1C[N@H+](CCNc2nc3c(cc2C#N)CCC3)CCO1 ZINC000523078763 392882196 /nfs/dbraw/zinc/88/21/96/392882196.db2.gz OIXFTZFDXSZOKT-GFCCVEGCSA-N 1 2 286.379 1.575 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNc2nc3c(cc2C#N)CCC3)CCO1 ZINC000523078763 392882201 /nfs/dbraw/zinc/88/22/01/392882201.db2.gz OIXFTZFDXSZOKT-GFCCVEGCSA-N 1 2 286.379 1.575 20 30 CDEDLO Cc1cc(N[C@H]2c3ccccc3C[C@H]2O)c(C#N)c[nH+]1 ZINC000425201905 392991904 /nfs/dbraw/zinc/99/19/04/392991904.db2.gz BGQYNALZSZQYFE-CVEARBPZSA-N 1 2 265.316 1.754 20 30 CDEDLO Cc1cc(NCC(C)(C)[NH+]2CCOCC2)c(C#N)cn1 ZINC000425203077 392992317 /nfs/dbraw/zinc/99/23/17/392992317.db2.gz QNWSHQQWCDQXFG-UHFFFAOYSA-N 1 2 274.368 1.206 20 30 CDEDLO Cc1cc(NCCCN2CCCCCC2=O)c(C#N)c[nH+]1 ZINC000425205255 392994466 /nfs/dbraw/zinc/99/44/66/392994466.db2.gz VKPRAXDXPRKLPH-UHFFFAOYSA-N 1 2 286.379 1.888 20 30 CDEDLO CC(=O)N1CCC(CNc2cc(C)[nH+]cc2C#N)CC1 ZINC000425232936 392998915 /nfs/dbraw/zinc/99/89/15/392998915.db2.gz WNMAWSSZWCDCBM-UHFFFAOYSA-N 1 2 272.352 1.354 20 30 CDEDLO Cc1cc(N[C@@H]2CC(=O)N(C(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000425231953 392998918 /nfs/dbraw/zinc/99/89/18/392998918.db2.gz NSBPDDWFXSSJRJ-GFCCVEGCSA-N 1 2 272.352 1.495 20 30 CDEDLO COC(=O)[C@H]1CC[C@@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000425262467 393009194 /nfs/dbraw/zinc/00/91/94/393009194.db2.gz ROTLDDZXQKQOOC-CMPLNLGQSA-N 1 2 259.309 1.437 20 30 CDEDLO N#Cc1csc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c1 ZINC000494658521 393236124 /nfs/dbraw/zinc/23/61/24/393236124.db2.gz GYFFKNCSIAIHIT-SNVBAGLBSA-N 1 2 263.322 1.256 20 30 CDEDLO N#Cc1csc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)c1 ZINC000494658521 393236136 /nfs/dbraw/zinc/23/61/36/393236136.db2.gz GYFFKNCSIAIHIT-SNVBAGLBSA-N 1 2 263.322 1.256 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000274199078 397705193 /nfs/dbraw/zinc/70/51/93/397705193.db2.gz RGCWKPLLVODOQC-UHFFFAOYSA-N 1 2 273.292 1.631 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000274199078 397705195 /nfs/dbraw/zinc/70/51/95/397705195.db2.gz RGCWKPLLVODOQC-UHFFFAOYSA-N 1 2 273.292 1.631 20 30 CDEDLO COc1ccc(C[NH2+]Cc2cccc(C#N)n2)c(OC)n1 ZINC000602665905 397895997 /nfs/dbraw/zinc/89/59/97/397895997.db2.gz DSIXELWRFWRLMR-UHFFFAOYSA-N 1 2 284.319 1.655 20 30 CDEDLO N#Cc1cc(F)c(C(=O)NCc2[nH]cc[nH+]2)c(F)c1 ZINC000154142978 289195237 /nfs/dbraw/zinc/19/52/37/289195237.db2.gz OOQFRXKPPJDJTF-UHFFFAOYSA-N 1 2 262.219 1.490 20 30 CDEDLO Cn1cc([C@H]2C[N@H+](Cc3cc(C#N)cs3)CCO2)cn1 ZINC000093658879 147061126 /nfs/dbraw/zinc/06/11/26/147061126.db2.gz MWXVCXLVUQLOKT-CQSZACIVSA-N 1 2 288.376 1.927 20 30 CDEDLO Cn1cc([C@H]2C[N@@H+](Cc3cc(C#N)cs3)CCO2)cn1 ZINC000093658879 147061132 /nfs/dbraw/zinc/06/11/32/147061132.db2.gz MWXVCXLVUQLOKT-CQSZACIVSA-N 1 2 288.376 1.927 20 30 CDEDLO CN(Cc1[nH+]ccn1C)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094593184 147094783 /nfs/dbraw/zinc/09/47/83/147094783.db2.gz DCJRSUUVZNKHGQ-UHFFFAOYSA-N 1 2 271.280 1.836 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)c1sccc1C#N)[NH+]1CCOCC1 ZINC000104599421 147198364 /nfs/dbraw/zinc/19/83/64/147198364.db2.gz JWOWDIAJCGFRJK-WDEREUQCSA-N 1 2 293.392 1.459 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cn1 ZINC000121098380 147358665 /nfs/dbraw/zinc/35/86/65/147358665.db2.gz TYSFMDNDTFQXSL-HNNXBMFYSA-N 1 2 294.314 1.642 20 30 CDEDLO CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000335944411 151137870 /nfs/dbraw/zinc/13/78/70/151137870.db2.gz UNCRJEWEYGFZHA-AWEZNQCLSA-N 1 2 275.327 1.798 20 30 CDEDLO CC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000335944411 151137872 /nfs/dbraw/zinc/13/78/72/151137872.db2.gz UNCRJEWEYGFZHA-AWEZNQCLSA-N 1 2 275.327 1.798 20 30 CDEDLO CCN1CCC[N@H+](Cc2cccc(C#N)c2F)CC1=O ZINC000336054489 151230820 /nfs/dbraw/zinc/23/08/20/151230820.db2.gz HYEWHLJOAQQMPP-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO CCN1CCC[N@@H+](Cc2cccc(C#N)c2F)CC1=O ZINC000336054489 151230821 /nfs/dbraw/zinc/23/08/21/151230821.db2.gz HYEWHLJOAQQMPP-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)N1CCn2c[nH+]cc2C1 ZINC000660578540 413256207 /nfs/dbraw/zinc/25/62/07/413256207.db2.gz MUPLUMQFQCOUKT-ZDUSSCGKSA-N 1 2 276.384 1.512 20 30 CDEDLO Cn1c[nH+]cc1CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000344041697 152399927 /nfs/dbraw/zinc/39/99/27/152399927.db2.gz GVRDHQUPGCDWBX-UHFFFAOYSA-N 1 2 275.333 1.407 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)NCc1c[nH+]cn1C ZINC000350017990 154307527 /nfs/dbraw/zinc/30/75/27/154307527.db2.gz UPAUNTLGNCYEFR-UHFFFAOYSA-N 1 2 285.307 1.622 20 30 CDEDLO CC(=O)c1nc(CC[N@@H+](C)CC(C)(C)C#N)[nH]c1C ZINC000660633295 413315901 /nfs/dbraw/zinc/31/59/01/413315901.db2.gz VETHELRCBDEJGN-UHFFFAOYSA-N 1 2 262.357 1.945 20 30 CDEDLO CC(=O)c1nc(CC[N@H+](C)CC(C)(C)C#N)[nH]c1C ZINC000660633295 413315912 /nfs/dbraw/zinc/31/59/12/413315912.db2.gz VETHELRCBDEJGN-UHFFFAOYSA-N 1 2 262.357 1.945 20 30 CDEDLO Cn1cc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)cc1C#N ZINC000373821412 160230412 /nfs/dbraw/zinc/23/04/12/160230412.db2.gz LMNQYKJORFORAR-GJZGRUSLSA-N 1 2 287.363 1.467 20 30 CDEDLO Cn1cc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)cc1C#N ZINC000373821412 160230414 /nfs/dbraw/zinc/23/04/14/160230414.db2.gz LMNQYKJORFORAR-GJZGRUSLSA-N 1 2 287.363 1.467 20 30 CDEDLO C=C(C)CCNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000665018946 413791667 /nfs/dbraw/zinc/79/16/67/413791667.db2.gz FUFCHSIPLCWGQN-UHFFFAOYSA-N 1 2 295.427 1.706 20 30 CDEDLO C=CCCn1cc(C[NH2+]CC(=O)NC2CCCC2)nn1 ZINC000657357246 414224726 /nfs/dbraw/zinc/22/47/26/414224726.db2.gz UGYJNHRQBAHQRP-UHFFFAOYSA-N 1 2 277.372 1.003 20 30 CDEDLO N#Cc1cccc(NC(=O)NCCn2cc[nH+]c2)c1 ZINC000040526271 174314174 /nfs/dbraw/zinc/31/41/74/174314174.db2.gz KNTDMLUVYHESDV-UHFFFAOYSA-N 1 2 255.281 1.576 20 30 CDEDLO CC[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000044809613 175257351 /nfs/dbraw/zinc/25/73/51/175257351.db2.gz JZPMFYNCUCJOQS-HNNXBMFYSA-N 1 2 271.364 1.881 20 30 CDEDLO C[C@@H](C#N)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000347052646 226005388 /nfs/dbraw/zinc/00/53/88/226005388.db2.gz QXKKVSUORXXQBT-LBPRGKRZSA-N 1 2 268.320 1.707 20 30 CDEDLO O=C(NCC1(CO)CCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329973890 228003888 /nfs/dbraw/zinc/00/38/88/228003888.db2.gz XATGTQWOVFXHRW-LBPRGKRZSA-N 1 2 277.368 1.955 20 30 CDEDLO Cn1ncc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1C1CC1 ZINC000330306780 228121889 /nfs/dbraw/zinc/12/18/89/228121889.db2.gz LLSRQWUVNRACLO-NSHDSACASA-N 1 2 285.351 1.814 20 30 CDEDLO N#C[C@@H]1CCC[C@H]1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000332129056 228149751 /nfs/dbraw/zinc/14/97/51/228149751.db2.gz JMELKHROWOPOAQ-UONOGXRCSA-N 1 2 299.378 1.605 20 30 CDEDLO Cn1nccc1[C@@H]1OCC[C@H]1C[NH+]1CC(C)(C#N)C1 ZINC000333684659 228209910 /nfs/dbraw/zinc/20/99/10/228209910.db2.gz BFLLPXOJEPVNMN-WCQYABFASA-N 1 2 260.341 1.343 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000408099189 260229928 /nfs/dbraw/zinc/22/99/28/260229928.db2.gz YAGPCGBNBJEXEE-IOASZLSFSA-N 1 2 295.427 1.929 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000408099189 260229929 /nfs/dbraw/zinc/22/99/29/260229929.db2.gz YAGPCGBNBJEXEE-IOASZLSFSA-N 1 2 295.427 1.929 20 30 CDEDLO C[C@@H](NC(=O)[C@@H](C)O[NH+]=C(N)CCO)c1ccc(F)cc1 ZINC000121341417 260709195 /nfs/dbraw/zinc/70/91/95/260709195.db2.gz CIMBVWDJALKPJP-NXEZZACHSA-N 1 2 297.330 1.063 20 30 CDEDLO NC(=[NH+]OCC(=O)NCC1CC1)c1ccc(F)c(F)c1 ZINC000154281486 261090241 /nfs/dbraw/zinc/09/02/41/261090241.db2.gz IRVDAJKMDHOYSK-UHFFFAOYSA-N 1 2 283.278 1.128 20 30 CDEDLO CCNC(=O)C(C)(C)C/[NH+]=C/c1cccc(OC)c1O ZINC000157191465 261142012 /nfs/dbraw/zinc/14/20/12/261142012.db2.gz DNZVUSGWWOZJGZ-CXUHLZMHSA-N 1 2 278.352 1.982 20 30 CDEDLO C#CC[N@@H+](C[C@H](O)CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000490742496 261198335 /nfs/dbraw/zinc/19/83/35/261198335.db2.gz YHXNAXBYYZDTAR-HUUCEWRRSA-N 1 2 299.436 1.050 20 30 CDEDLO C#CC[N@H+](C[C@H](O)CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000490742496 261198336 /nfs/dbraw/zinc/19/83/36/261198336.db2.gz YHXNAXBYYZDTAR-HUUCEWRRSA-N 1 2 299.436 1.050 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)OC ZINC000491792047 262055115 /nfs/dbraw/zinc/05/51/15/262055115.db2.gz DAFZBFJYCLJLNY-LLVKDONJSA-N 1 2 274.320 1.365 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1C(=O)OC ZINC000491792047 262055118 /nfs/dbraw/zinc/05/51/18/262055118.db2.gz DAFZBFJYCLJLNY-LLVKDONJSA-N 1 2 274.320 1.365 20 30 CDEDLO N#CCNC(=O)C[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000108857487 262065502 /nfs/dbraw/zinc/06/55/02/262065502.db2.gz PVQZPMQBWJOKTI-CYBMUJFWSA-N 1 2 286.360 1.462 20 30 CDEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)CCc2c[nH+]cn2C)C1 ZINC000189039526 262166699 /nfs/dbraw/zinc/16/66/99/262166699.db2.gz JPFRTACYQRNAMQ-DOMZBBRYSA-N 1 2 274.368 1.941 20 30 CDEDLO C=Cn1cc(CN(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000193577058 262224203 /nfs/dbraw/zinc/22/42/03/262224203.db2.gz CYXZPEBGCXINQE-UHFFFAOYSA-N 1 2 289.383 1.031 20 30 CDEDLO N#CCCCNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000273358399 263016093 /nfs/dbraw/zinc/01/60/93/263016093.db2.gz QHWIRRWETPCEFI-LBPRGKRZSA-N 1 2 275.356 1.401 20 30 CDEDLO N#CCCCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000273358399 263016094 /nfs/dbraw/zinc/01/60/94/263016094.db2.gz QHWIRRWETPCEFI-LBPRGKRZSA-N 1 2 275.356 1.401 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1nnc(C)s1 ZINC000273647837 263018882 /nfs/dbraw/zinc/01/88/82/263018882.db2.gz VQVOWOADMFAMII-ZJUUUORDSA-N 1 2 295.412 1.505 20 30 CDEDLO CC(=O)N1CCC[C@@H](C/[NH+]=C/c2ccc(O)c(O)c2O)C1 ZINC000280991621 263065552 /nfs/dbraw/zinc/06/55/52/263065552.db2.gz MTRPQLLCXUCOAJ-AXLKIAQESA-N 1 2 292.335 1.481 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCC1=O ZINC000283326868 263082335 /nfs/dbraw/zinc/08/23/35/263082335.db2.gz YVMIDZBQRZNWAE-GFCCVEGCSA-N 1 2 258.321 2.000 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCC1=O ZINC000283326868 263082336 /nfs/dbraw/zinc/08/23/36/263082336.db2.gz YVMIDZBQRZNWAE-GFCCVEGCSA-N 1 2 258.321 2.000 20 30 CDEDLO NC(=[NH+]OCC(=O)Nc1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000284509675 263087164 /nfs/dbraw/zinc/08/71/64/263087164.db2.gz UAQHWWKQTKCVGE-NSHDSACASA-N 1 2 297.742 1.746 20 30 CDEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C)C#N)cn2c1 ZINC000340433586 263144062 /nfs/dbraw/zinc/14/40/62/263144062.db2.gz DSFKHESANRFMSM-NSHDSACASA-N 1 2 288.376 1.904 20 30 CDEDLO Cc1cc2[nH+]cn(C[C@H](O)CN3CC(C)(C#N)C3)c2cc1C ZINC000296178760 263187015 /nfs/dbraw/zinc/18/70/15/263187015.db2.gz NVTYEMZMEVUSBT-CQSZACIVSA-N 1 2 298.390 1.860 20 30 CDEDLO CCN(CC#N)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000299310547 263238807 /nfs/dbraw/zinc/23/88/07/263238807.db2.gz RKFNDQNKCAGKOH-UHFFFAOYSA-N 1 2 268.320 1.917 20 30 CDEDLO N#CCN(CC#N)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000340669812 263281947 /nfs/dbraw/zinc/28/19/47/263281947.db2.gz YXJSVKUYKLMOHY-UHFFFAOYSA-N 1 2 298.346 1.008 20 30 CDEDLO CC(C)[C@H](C#N)NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000342091272 263391573 /nfs/dbraw/zinc/39/15/73/263391573.db2.gz JYTHSAAOVPERHG-MNOVXSKESA-N 1 2 255.387 1.088 20 30 CDEDLO NC(=O)C[C@H]1CCCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000331020450 264098146 /nfs/dbraw/zinc/09/81/46/264098146.db2.gz RLEMKSOLFPNDJI-GFCCVEGCSA-N 1 2 293.371 1.825 20 30 CDEDLO NC(=O)C[C@H]1CCCN(C([O-])=[NH+]CCCn2cc[nH+]c2)C1 ZINC000331020450 264098148 /nfs/dbraw/zinc/09/81/48/264098148.db2.gz RLEMKSOLFPNDJI-GFCCVEGCSA-N 1 2 293.371 1.825 20 30 CDEDLO COc1ccc(C(=O)NC(C)(C)C[NH+]2CCOCC2)cn1 ZINC000331325700 264190410 /nfs/dbraw/zinc/19/04/10/264190410.db2.gz GFHYMMPOCWJHLG-UHFFFAOYSA-N 1 2 293.367 1.506 20 30 CDEDLO Cc1occc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000070920489 264243014 /nfs/dbraw/zinc/24/30/14/264243014.db2.gz GXXHSRHTTMZSKC-UHFFFAOYSA-N 1 2 291.351 1.276 20 30 CDEDLO CC(C)[C@H](CNC(=O)C1(C#N)CCC1)[NH+]1CCOCC1 ZINC000128823901 264308355 /nfs/dbraw/zinc/30/83/55/264308355.db2.gz FAGARTUFIUDUHV-ZDUSSCGKSA-N 1 2 279.384 1.153 20 30 CDEDLO N#Cc1ccc2c(c1)N(C(=O)C=Cc1c[nH]c[nH+]1)CC2 ZINC000492901446 269983685 /nfs/dbraw/zinc/98/36/85/269983685.db2.gz PHKSLVGOSJOBEC-ONEGZZNKSA-N 1 2 264.288 1.884 20 30 CDEDLO C=C(CC)CNC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000456815162 264346632 /nfs/dbraw/zinc/34/66/32/264346632.db2.gz XABJSVQCJTWIRS-KGLIPLIRSA-N 1 2 268.401 1.958 20 30 CDEDLO C=C(CC)CNC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000456815162 264346635 /nfs/dbraw/zinc/34/66/35/264346635.db2.gz XABJSVQCJTWIRS-KGLIPLIRSA-N 1 2 268.401 1.958 20 30 CDEDLO C=CC[N@H+](Cc1nc2ccc(OC)nc2[nH]1)[C@@H](C)COC ZINC000661240941 424073559 /nfs/dbraw/zinc/07/35/59/424073559.db2.gz UBLNWHGXEALZHG-NSHDSACASA-N 1 2 290.367 1.989 20 30 CDEDLO C=CC[N@@H+](Cc1nc2ccc(OC)nc2[nH]1)[C@@H](C)COC ZINC000661240941 424073570 /nfs/dbraw/zinc/07/35/70/424073570.db2.gz UBLNWHGXEALZHG-NSHDSACASA-N 1 2 290.367 1.989 20 30 CDEDLO C=CC[N@@H+](Cc1nc(CCOC)no1)[C@@H](C)COC ZINC000661244251 424081445 /nfs/dbraw/zinc/08/14/45/424081445.db2.gz RQOPNHKHOZGLGX-NSHDSACASA-N 1 2 269.345 1.281 20 30 CDEDLO C=CC[N@H+](Cc1nc(CCOC)no1)[C@@H](C)COC ZINC000661244251 424081456 /nfs/dbraw/zinc/08/14/56/424081456.db2.gz RQOPNHKHOZGLGX-NSHDSACASA-N 1 2 269.345 1.281 20 30 CDEDLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)NC2(C#N)CCC2)on1 ZINC000525885846 265032333 /nfs/dbraw/zinc/03/23/33/265032333.db2.gz PRERAXFHBBTJQP-GFCCVEGCSA-N 1 2 288.351 1.682 20 30 CDEDLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCC2)on1 ZINC000525885846 265032334 /nfs/dbraw/zinc/03/23/34/265032334.db2.gz PRERAXFHBBTJQP-GFCCVEGCSA-N 1 2 288.351 1.682 20 30 CDEDLO C=C(C)CN(CC)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356367555 266102729 /nfs/dbraw/zinc/10/27/29/266102729.db2.gz UCBLFEOIGVNQOZ-CYBMUJFWSA-N 1 2 269.389 1.315 20 30 CDEDLO C=C(C)CN(CC)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356367555 266102730 /nfs/dbraw/zinc/10/27/30/266102730.db2.gz UCBLFEOIGVNQOZ-CYBMUJFWSA-N 1 2 269.389 1.315 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000356998463 266228936 /nfs/dbraw/zinc/22/89/36/266228936.db2.gz NWLBLDBHQFANHO-CYBMUJFWSA-N 1 2 266.385 1.686 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000356998463 266228937 /nfs/dbraw/zinc/22/89/37/266228937.db2.gz NWLBLDBHQFANHO-CYBMUJFWSA-N 1 2 266.385 1.686 20 30 CDEDLO C=CCN(C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)C1CC1 ZINC000357576950 266329238 /nfs/dbraw/zinc/32/92/38/266329238.db2.gz AZVIUKGEYFJEQO-OLZOCXBDSA-N 1 2 281.400 1.456 20 30 CDEDLO CCOC[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CCO1 ZINC000528722008 267142346 /nfs/dbraw/zinc/14/23/46/267142346.db2.gz NIJCGCDGBQKFAG-CQSZACIVSA-N 1 2 278.327 1.935 20 30 CDEDLO CCOC[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CCO1 ZINC000528722008 267142349 /nfs/dbraw/zinc/14/23/49/267142349.db2.gz NIJCGCDGBQKFAG-CQSZACIVSA-N 1 2 278.327 1.935 20 30 CDEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(C)(C)C#N)C1 ZINC000120113497 267381822 /nfs/dbraw/zinc/38/18/22/267381822.db2.gz ZPOODVBKKRQVGC-GFCCVEGCSA-N 1 2 274.368 1.751 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000313628028 270325126 /nfs/dbraw/zinc/32/51/26/270325126.db2.gz NDSLZBYDTDGZFR-AWEZNQCLSA-N 1 2 264.300 1.017 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000313628028 270325128 /nfs/dbraw/zinc/32/51/28/270325128.db2.gz NDSLZBYDTDGZFR-AWEZNQCLSA-N 1 2 264.300 1.017 20 30 CDEDLO CC(C)(C)n1cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)nn1 ZINC000330033678 277282060 /nfs/dbraw/zinc/28/20/60/277282060.db2.gz AMCMQUGBWCJHHX-SNVBAGLBSA-N 1 2 288.355 1.549 20 30 CDEDLO CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000329090250 277985846 /nfs/dbraw/zinc/98/58/46/277985846.db2.gz IZGZDWBELJWLNW-CHWSQXEVSA-N 1 2 290.367 1.555 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCO[C@H](C)C1 ZINC000245396834 278157548 /nfs/dbraw/zinc/15/75/48/278157548.db2.gz MUNDEUIPRZOSAP-CHWSQXEVSA-N 1 2 287.363 1.996 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCO[C@H](C)C1 ZINC000245396834 278157549 /nfs/dbraw/zinc/15/75/49/278157549.db2.gz MUNDEUIPRZOSAP-CHWSQXEVSA-N 1 2 287.363 1.996 20 30 CDEDLO N#Cc1nccc(N2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000555021036 290201694 /nfs/dbraw/zinc/20/16/94/290201694.db2.gz HGAOYUSSXQVWCF-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO N#Cc1cc2c(nc1NCCNc1cccc[nH+]1)CCOC2 ZINC000565310774 293589922 /nfs/dbraw/zinc/58/99/22/293589922.db2.gz GSSOAWNYKWBCED-UHFFFAOYSA-N 1 2 295.346 1.367 20 30 CDEDLO Cc1noc([C@@H](C)[N@H+](C)Cc2cc(C#N)n(C)c2)n1 ZINC000570343166 294220862 /nfs/dbraw/zinc/22/08/62/294220862.db2.gz HIYJCXKOTCBPOS-SECBINFHSA-N 1 2 259.313 1.781 20 30 CDEDLO Cc1noc([C@@H](C)[N@@H+](C)Cc2cc(C#N)n(C)c2)n1 ZINC000570343166 294220865 /nfs/dbraw/zinc/22/08/65/294220865.db2.gz HIYJCXKOTCBPOS-SECBINFHSA-N 1 2 259.313 1.781 20 30 CDEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1cc(C#N)ncn1 ZINC000571024662 294352085 /nfs/dbraw/zinc/35/20/85/294352085.db2.gz KDMVFRARXDSQDY-UHFFFAOYSA-N 1 2 296.256 1.743 20 30 CDEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000571951662 294529421 /nfs/dbraw/zinc/52/94/21/294529421.db2.gz JXBHYLQIXRFYQQ-UHFFFAOYSA-N 1 2 294.362 1.083 20 30 CDEDLO C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(F)(C#N)CC1 ZINC000352491005 298118646 /nfs/dbraw/zinc/11/86/46/298118646.db2.gz NEZNDUFVRSLLSL-SNVBAGLBSA-N 1 2 298.362 1.327 20 30 CDEDLO N#CCc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000533946062 327943640 /nfs/dbraw/zinc/94/36/40/327943640.db2.gz AGFSAKGSWAUKKY-UHFFFAOYSA-N 1 2 266.304 1.646 20 30 CDEDLO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1nnnn1-c1ccccc1 ZINC000174400254 315887890 /nfs/dbraw/zinc/88/78/90/315887890.db2.gz WWIFJEUFKOCTCZ-NSHDSACASA-N 1 2 294.318 1.978 20 30 CDEDLO O=C(CCn1cc[nH+]c1)NCC#Cc1cccc(F)c1 ZINC000338154387 327968209 /nfs/dbraw/zinc/96/82/09/327968209.db2.gz JJUKMYWTGMAEOK-UHFFFAOYSA-N 1 2 271.295 1.580 20 30 CDEDLO C[C@H](C(=O)Nc1ncccn1)[NH+]1CCC(C#N)CC1 ZINC000170836238 329068430 /nfs/dbraw/zinc/06/84/30/329068430.db2.gz DVTDGBNLMJKIKF-SNVBAGLBSA-N 1 2 259.313 1.039 20 30 CDEDLO CCCOC(=O)CC/[NH+]=C/c1cccc(O)c1O ZINC000264357352 328159045 /nfs/dbraw/zinc/15/90/45/328159045.db2.gz NXDDUFUEKUFIJG-NTEUORMPSA-N 1 2 251.282 1.860 20 30 CDEDLO COc1ccc(CO[NH+]=C(N)[C@H]2CCCO2)cc1F ZINC000284441989 328245944 /nfs/dbraw/zinc/24/59/44/328245944.db2.gz PJSNUEXZRXDEBZ-GFCCVEGCSA-N 1 2 268.288 1.802 20 30 CDEDLO CC(C)(C)c1ncc(C[NH+]2CCN(CC#N)CC2)cn1 ZINC000284431973 328245967 /nfs/dbraw/zinc/24/59/67/328245967.db2.gz RZZHKAMQLZLQSO-UHFFFAOYSA-N 1 2 273.384 1.415 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCSC2)C1 ZINC000328879796 328459472 /nfs/dbraw/zinc/45/94/72/328459472.db2.gz VKOQDNMMDTVUIC-GHMZBOCLSA-N 1 2 280.397 1.629 20 30 CDEDLO CC(C)S(=O)(=O)CCC[NH+]1CCC(C)(C#N)CC1 ZINC000330770730 328469723 /nfs/dbraw/zinc/46/97/23/328469723.db2.gz BNDQWDAFAVUFFV-UHFFFAOYSA-N 1 2 272.414 1.825 20 30 CDEDLO CC(C)N(CCC#N)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000533548097 326857040 /nfs/dbraw/zinc/85/70/40/326857040.db2.gz WSFSPEYCDDRRER-GFCCVEGCSA-N 1 2 260.341 1.596 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)NC(C)(C)C#N)cc2n1C ZINC000558713636 327116649 /nfs/dbraw/zinc/11/66/49/327116649.db2.gz POFXOEUCYVNOMW-UHFFFAOYSA-N 1 2 256.309 1.914 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000560456462 327309516 /nfs/dbraw/zinc/30/95/16/327309516.db2.gz QSXOOLOIBYUSTA-KBXIAJHMSA-N 1 2 296.411 1.336 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000560456462 327309518 /nfs/dbraw/zinc/30/95/18/327309518.db2.gz QSXOOLOIBYUSTA-KBXIAJHMSA-N 1 2 296.411 1.336 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1cc(F)ccc1F ZINC000569761439 327545614 /nfs/dbraw/zinc/54/56/14/327545614.db2.gz FIWSGLSRGIPMDL-AWEZNQCLSA-N 1 2 281.306 1.467 20 30 CDEDLO C#CCCCCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000180284479 329219369 /nfs/dbraw/zinc/21/93/69/329219369.db2.gz UODGXFIMIYGVBX-OAHLLOKOSA-N 1 2 278.396 1.503 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H]1CN(c2ccccc2)CCO1 ZINC000583031821 329305228 /nfs/dbraw/zinc/30/52/28/329305228.db2.gz DYPGPPRLXYAGNA-GOEBONIOSA-N 1 2 273.380 1.983 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H]1CN(c2ccccc2)CCO1 ZINC000583031821 329305230 /nfs/dbraw/zinc/30/52/30/329305230.db2.gz DYPGPPRLXYAGNA-GOEBONIOSA-N 1 2 273.380 1.983 20 30 CDEDLO C[C@H](C#N)C[NH2+]Cc1cnc(-c2cnn(C)c2)nc1 ZINC000527526076 330257108 /nfs/dbraw/zinc/25/71/08/330257108.db2.gz XKGYAZYDSGWICI-SNVBAGLBSA-N 1 2 256.313 1.126 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cnc3cccc(C)n23)nn1 ZINC000424174041 330313738 /nfs/dbraw/zinc/31/37/38/330313738.db2.gz QULLUQVWAXHBJW-UHFFFAOYSA-N 1 2 282.351 1.710 20 30 CDEDLO C=C(CC)CNc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000450916495 331007055 /nfs/dbraw/zinc/00/70/55/331007055.db2.gz VRHFNYDUOXQMOF-UHFFFAOYSA-N 1 2 275.356 1.133 20 30 CDEDLO C=C(CC)CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000450916495 331007056 /nfs/dbraw/zinc/00/70/56/331007056.db2.gz VRHFNYDUOXQMOF-UHFFFAOYSA-N 1 2 275.356 1.133 20 30 CDEDLO C=CC(C)(C)CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000454259027 331143004 /nfs/dbraw/zinc/14/30/04/331143004.db2.gz CYOJMRKQIBFMLJ-GFCCVEGCSA-N 1 2 269.389 1.219 20 30 CDEDLO C=C(C)CCNC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000456116975 331184607 /nfs/dbraw/zinc/18/46/07/331184607.db2.gz FTDSHLVGBNADMY-KGLIPLIRSA-N 1 2 268.401 1.958 20 30 CDEDLO C=C(C)CCNC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000456116975 331184608 /nfs/dbraw/zinc/18/46/08/331184608.db2.gz FTDSHLVGBNADMY-KGLIPLIRSA-N 1 2 268.401 1.958 20 30 CDEDLO C=CCSCCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458095816 331242681 /nfs/dbraw/zinc/24/26/81/331242681.db2.gz QXLCVFGPZWVZEL-BETUJISGSA-N 1 2 299.440 1.068 20 30 CDEDLO C=CCSCCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458095816 331242682 /nfs/dbraw/zinc/24/26/82/331242682.db2.gz QXLCVFGPZWVZEL-BETUJISGSA-N 1 2 299.440 1.068 20 30 CDEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)NCC(F)(F)F ZINC000489489015 332055997 /nfs/dbraw/zinc/05/59/97/332055997.db2.gz XALIAQZIKZVUAZ-SECBINFHSA-N 1 2 250.264 1.705 20 30 CDEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)NCC(F)(F)F ZINC000489489015 332055998 /nfs/dbraw/zinc/05/59/98/332055998.db2.gz XALIAQZIKZVUAZ-SECBINFHSA-N 1 2 250.264 1.705 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@@](C(C)C)(C2CC2)C1=O ZINC000490690712 332104932 /nfs/dbraw/zinc/10/49/32/332104932.db2.gz UDVDUUXUWIFCTN-NHYWBVRUSA-N 1 2 277.368 1.254 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@@](C(C)C)(C2CC2)C1=O ZINC000490690712 332104933 /nfs/dbraw/zinc/10/49/33/332104933.db2.gz UDVDUUXUWIFCTN-NHYWBVRUSA-N 1 2 277.368 1.254 20 30 CDEDLO C#CCN(C)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000490713514 332107198 /nfs/dbraw/zinc/10/71/98/332107198.db2.gz KPVRJFRIATVGJV-NSHDSACASA-N 1 2 259.353 1.730 20 30 CDEDLO C#CCN(C)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000490713514 332107200 /nfs/dbraw/zinc/10/72/00/332107200.db2.gz KPVRJFRIATVGJV-NSHDSACASA-N 1 2 259.353 1.730 20 30 CDEDLO C#CCN(Cc1[nH+]ccn1C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000490842080 332119913 /nfs/dbraw/zinc/11/99/13/332119913.db2.gz YIXCKFJOKCIFSG-CYBMUJFWSA-N 1 2 295.408 1.086 20 30 CDEDLO C#CCNC(=O)C1CC[NH+](Cc2cscn2)CC1 ZINC000491068058 332145148 /nfs/dbraw/zinc/14/51/48/332145148.db2.gz MISXFYMBSXBELT-UHFFFAOYSA-N 1 2 263.366 1.105 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](O)Cc1cccc(Cl)c1 ZINC000491372415 332199076 /nfs/dbraw/zinc/19/90/76/332199076.db2.gz JHEKKSQJEBNRIE-HUUCEWRRSA-N 1 2 279.767 1.577 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](O)Cc1cccc(Cl)c1 ZINC000491372415 332199077 /nfs/dbraw/zinc/19/90/77/332199077.db2.gz JHEKKSQJEBNRIE-HUUCEWRRSA-N 1 2 279.767 1.577 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(NC(C)=O)cc1 ZINC000491438714 332211474 /nfs/dbraw/zinc/21/14/74/332211474.db2.gz FWIDYONSMPOBLR-HNNXBMFYSA-N 1 2 258.321 1.479 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(NC(C)=O)cc1 ZINC000491438714 332211475 /nfs/dbraw/zinc/21/14/75/332211475.db2.gz FWIDYONSMPOBLR-HNNXBMFYSA-N 1 2 258.321 1.479 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](O)c1ccc(F)cc1C ZINC000491516126 332227761 /nfs/dbraw/zinc/22/77/61/332227761.db2.gz RETRFWKDHSDAGD-DZGCQCFKSA-N 1 2 263.312 1.502 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](O)c1ccc(F)cc1C ZINC000491516126 332227763 /nfs/dbraw/zinc/22/77/63/332227763.db2.gz RETRFWKDHSDAGD-DZGCQCFKSA-N 1 2 263.312 1.502 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000491661549 332271403 /nfs/dbraw/zinc/27/14/03/332271403.db2.gz GEGHGXIDUKRHLB-CYBMUJFWSA-N 1 2 286.379 1.845 20 30 CDEDLO C#C[C@H](NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)C(C)C ZINC000491771534 332338224 /nfs/dbraw/zinc/33/82/24/332338224.db2.gz OQNJJZVCWFYSCD-KBPBESRZSA-N 1 2 274.368 1.715 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@@]2(C[C@H](C)C[C@H](C)C2)C1=O ZINC000491788319 332350550 /nfs/dbraw/zinc/35/05/50/332350550.db2.gz XOZWNROPDWJZLJ-ZWUHOBOKSA-N 1 2 291.395 1.644 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@@]2(C[C@H](C)C[C@H](C)C2)C1=O ZINC000491788319 332350551 /nfs/dbraw/zinc/35/05/51/332350551.db2.gz XOZWNROPDWJZLJ-ZWUHOBOKSA-N 1 2 291.395 1.644 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@@](C)(C2CCCCC2)C1=O ZINC000491788311 332350605 /nfs/dbraw/zinc/35/06/05/332350605.db2.gz XNYTYBRURZXDGA-LRDDRELGSA-N 1 2 291.395 1.788 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@@](C)(C2CCCCC2)C1=O ZINC000491788311 332350607 /nfs/dbraw/zinc/35/06/07/332350607.db2.gz XNYTYBRURZXDGA-LRDDRELGSA-N 1 2 291.395 1.788 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000492067764 332381365 /nfs/dbraw/zinc/38/13/65/332381365.db2.gz XWAROHSZNRGEGM-AWEZNQCLSA-N 1 2 295.427 1.847 20 30 CDEDLO N#CCOc1ccc(CNC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000492761819 332412586 /nfs/dbraw/zinc/41/25/86/332412586.db2.gz HCTSXGMWEQTTHV-UTCJRWHESA-N 1 2 282.303 1.642 20 30 CDEDLO C#CCOc1ccccc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492773816 332412952 /nfs/dbraw/zinc/41/29/52/332412952.db2.gz VVDRGFJRKLOOTH-FPLPWBNLSA-N 1 2 281.315 1.751 20 30 CDEDLO C#CC[C@H](CC(F)(F)F)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493754403 332452738 /nfs/dbraw/zinc/45/27/38/332452738.db2.gz YKBFJJDPVWAUTA-XNPJLODASA-N 1 2 271.242 1.883 20 30 CDEDLO CN(C)C(=O)OC1CC[NH+](CC2(C#N)CC2)CC1 ZINC000495725515 332528299 /nfs/dbraw/zinc/52/82/99/332528299.db2.gz CRHRNFFXKOIUOH-UHFFFAOYSA-N 1 2 251.330 1.453 20 30 CDEDLO Cc1cc(NC(=O)CCn2cc[nH+]c2)n(CCC#N)n1 ZINC000523698728 333339740 /nfs/dbraw/zinc/33/97/40/333339740.db2.gz WBSFNDWLJKLBPX-UHFFFAOYSA-N 1 2 272.312 1.331 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2ccccc2Cl)CC1 ZINC000128401604 333667327 /nfs/dbraw/zinc/66/73/27/333667327.db2.gz NWLZFBCDJZTIRX-UHFFFAOYSA-N 1 2 292.766 1.496 20 30 CDEDLO C=C(C)[C@H](Cc1nc([C@H]2C[N@H+](C)CCN2C)no1)OCC ZINC000547200817 334072752 /nfs/dbraw/zinc/07/27/52/334072752.db2.gz CJSBSGWXCCPCCT-OLZOCXBDSA-N 1 2 294.399 1.512 20 30 CDEDLO C=C(C)[C@H](Cc1nc([C@H]2C[N@@H+](C)CCN2C)no1)OCC ZINC000547200817 334072754 /nfs/dbraw/zinc/07/27/54/334072754.db2.gz CJSBSGWXCCPCCT-OLZOCXBDSA-N 1 2 294.399 1.512 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCSC[C@@H]1C ZINC000246873751 334271159 /nfs/dbraw/zinc/27/11/59/334271159.db2.gz AOODPOHBJZSLEJ-WCQYABFASA-N 1 2 269.414 1.478 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCSC[C@@H]1C ZINC000246873751 334271160 /nfs/dbraw/zinc/27/11/60/334271160.db2.gz AOODPOHBJZSLEJ-WCQYABFASA-N 1 2 269.414 1.478 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1ccc(F)cc1F ZINC000565051634 334536720 /nfs/dbraw/zinc/53/67/20/334536720.db2.gz OGTQFGGPSCAXEA-AWEZNQCLSA-N 1 2 297.305 1.304 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000568181271 334801242 /nfs/dbraw/zinc/80/12/42/334801242.db2.gz OTNDNGJGAUFYPJ-LBPRGKRZSA-N 1 2 289.335 1.694 20 30 CDEDLO C#CCCCC(=O)NC[C@H]1CC[N@@H+]1Cc1cccnc1 ZINC001754481330 1159231564 /nfs/dbraw/zinc/23/15/64/1159231564.db2.gz UDYGYMJAUQJKNP-OAHLLOKOSA-N 1 2 271.364 1.576 20 30 CDEDLO C#CCCCC(=O)NC[C@H]1CC[N@H+]1Cc1cccnc1 ZINC001754481330 1159231570 /nfs/dbraw/zinc/23/15/70/1159231570.db2.gz UDYGYMJAUQJKNP-OAHLLOKOSA-N 1 2 271.364 1.576 20 30 CDEDLO N#C[C@H]1CC[C@H](Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000576456682 335205288 /nfs/dbraw/zinc/20/52/88/335205288.db2.gz WCCMBFJOZWQMGC-KBPBESRZSA-N 1 2 289.383 1.319 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1CCSCC1 ZINC000576994052 335275150 /nfs/dbraw/zinc/27/51/50/335275150.db2.gz ICCUMCXNJMZRSF-GFCCVEGCSA-N 1 2 255.387 1.090 20 30 CDEDLO CC[C@H](C)n1nc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1C ZINC000578753800 335670571 /nfs/dbraw/zinc/67/05/71/335670571.db2.gz GTBNLQABVQQREK-NHYWBVRUSA-N 1 2 291.399 1.736 20 30 CDEDLO C[C@@H](C#N)CNC(=O)NCCCCNc1cccc[nH+]1 ZINC000182766138 335841352 /nfs/dbraw/zinc/84/13/52/335841352.db2.gz XGAIMNFNWKURFO-LBPRGKRZSA-N 1 2 275.356 1.733 20 30 CDEDLO Cc1csc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000581195556 336023012 /nfs/dbraw/zinc/02/30/12/336023012.db2.gz PMBPQZZGBAPKIU-GFCCVEGCSA-N 1 2 251.355 1.630 20 30 CDEDLO COC(=O)[C@H]([NH2+]CCOCCC#N)[C@@H]1CCC[C@@H](OC)C1 ZINC000581194838 336022775 /nfs/dbraw/zinc/02/27/75/336022775.db2.gz IGMDJEUYSMOWJI-MGPQQGTHSA-N 1 2 298.383 1.253 20 30 CDEDLO Cc1nc(N(C)CCN(C)C(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001105387847 1160192090 /nfs/dbraw/zinc/19/20/90/1160192090.db2.gz LVZVVINQWMPHBS-UHFFFAOYSA-N 1 2 288.395 1.729 20 30 CDEDLO CC#CCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000680456831 483625155 /nfs/dbraw/zinc/62/51/55/483625155.db2.gz OGSIBGGRESOBFD-UHFFFAOYSA-N 1 2 286.375 1.662 20 30 CDEDLO COC(=O)C[C@H]1COCC[N@@H+]1CCC(C)(C)C#N ZINC000347473200 533736233 /nfs/dbraw/zinc/73/62/33/533736233.db2.gz YOKLPHZPPSNMRM-NSHDSACASA-N 1 2 254.330 1.190 20 30 CDEDLO COC(=O)C[C@H]1COCC[N@H+]1CCC(C)(C)C#N ZINC000347473200 533736237 /nfs/dbraw/zinc/73/62/37/533736237.db2.gz YOKLPHZPPSNMRM-NSHDSACASA-N 1 2 254.330 1.190 20 30 CDEDLO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](C#N)C2)C1 ZINC000261239724 1181488492 /nfs/dbraw/zinc/48/84/92/1181488492.db2.gz VFQBXDZBPZSNHV-VXGBXAGGSA-N 1 2 265.357 1.841 20 30 CDEDLO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CC[C@H](C#N)C2)C1 ZINC000261239724 1181488496 /nfs/dbraw/zinc/48/84/96/1181488496.db2.gz VFQBXDZBPZSNHV-VXGBXAGGSA-N 1 2 265.357 1.841 20 30 CDEDLO C=CCOCCCC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000347656879 526738618 /nfs/dbraw/zinc/73/86/18/526738618.db2.gz OORCUGSTPLRCOR-AWEZNQCLSA-N 1 2 284.400 1.196 20 30 CDEDLO C=CCOCCCC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000347656879 526738624 /nfs/dbraw/zinc/73/86/24/526738624.db2.gz OORCUGSTPLRCOR-AWEZNQCLSA-N 1 2 284.400 1.196 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCC1([NH+]2CCOCC2)CC1)OCC ZINC000347300194 526747363 /nfs/dbraw/zinc/74/73/63/526747363.db2.gz KDQDWCUTXVFLDL-CQSZACIVSA-N 1 2 296.411 1.339 20 30 CDEDLO C=CCCC1(C(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000355984479 527084340 /nfs/dbraw/zinc/08/43/40/527084340.db2.gz JYRXSPJGKUUQMC-UHFFFAOYSA-N 1 2 266.385 1.523 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)[C@H]1CCCCO1 ZINC000329473089 538573487 /nfs/dbraw/zinc/57/34/87/538573487.db2.gz NIVMEOJVLKKBHS-MGPQQGTHSA-N 1 2 299.415 1.168 20 30 CDEDLO Cc1cc(CNC(=O)N2CCn3cc[nH+]c3C2)on1 ZINC000329814892 538670345 /nfs/dbraw/zinc/67/03/45/538670345.db2.gz DWIHOXJSDDJDIO-UHFFFAOYSA-N 1 2 261.285 1.109 20 30 CDEDLO COc1ccc(OC)c([C@H](O)C[N@H+](C)CCC#N)c1 ZINC000751474948 574647251 /nfs/dbraw/zinc/64/72/51/574647251.db2.gz HIPYBXPWMRWERX-CYBMUJFWSA-N 1 2 264.325 1.583 20 30 CDEDLO COc1ccc(OC)c([C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000751474948 574647253 /nfs/dbraw/zinc/64/72/53/574647253.db2.gz HIPYBXPWMRWERX-CYBMUJFWSA-N 1 2 264.325 1.583 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)OCO2 ZINC000730094657 574848146 /nfs/dbraw/zinc/84/81/46/574848146.db2.gz MXHMNGUALILPBL-LBPRGKRZSA-N 1 2 272.304 1.451 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)OCO2 ZINC000730094657 574848147 /nfs/dbraw/zinc/84/81/47/574848147.db2.gz MXHMNGUALILPBL-LBPRGKRZSA-N 1 2 272.304 1.451 20 30 CDEDLO C=CCOC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000731248490 575042536 /nfs/dbraw/zinc/04/25/36/575042536.db2.gz OKPOZFZDAUWBSV-HNNXBMFYSA-N 1 2 275.348 1.914 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cccc3nsnc32)CC1 ZINC000760943359 576527847 /nfs/dbraw/zinc/52/78/47/576527847.db2.gz LCDHVJZAKCZOAB-UHFFFAOYSA-N 1 2 287.392 1.723 20 30 CDEDLO CNC(=S)N[NH+]=C(C)c1ccccc1N(C)C ZINC000769566509 575360717 /nfs/dbraw/zinc/36/07/17/575360717.db2.gz IUMCZKUUUQDZBZ-UHFFFAOYSA-N 1 2 250.371 1.571 20 30 CDEDLO O=C1CCCN1[NH+]=Cc1ccccc1N1CCOCC1 ZINC000769590979 575362547 /nfs/dbraw/zinc/36/25/47/575362547.db2.gz ZLCULUZGOPQDQJ-UHFFFAOYSA-N 1 2 273.336 1.480 20 30 CDEDLO CN(C)c1ncc(C=[NH+]NCC(F)(F)F)s1 ZINC000769814869 575388591 /nfs/dbraw/zinc/38/85/91/575388591.db2.gz NPLWFJOKPMJNTH-UHFFFAOYSA-N 1 2 252.265 1.695 20 30 CDEDLO N#CC1(OC(=O)c2ccnc(-n3cc[nH+]c3)c2)CCC1 ZINC000774157774 575898793 /nfs/dbraw/zinc/89/87/93/575898793.db2.gz NELXKCAWHXYBNO-UHFFFAOYSA-N 1 2 268.276 1.870 20 30 CDEDLO C[NH+]1CCN(N=Cc2cc(Cl)cc(F)c2O)CC1 ZINC000768357881 576275008 /nfs/dbraw/zinc/27/50/08/576275008.db2.gz PGUDLKIZQUZEGA-UHFFFAOYSA-N 1 2 271.723 1.766 20 30 CDEDLO CN1C(=O)CN(N=Cc2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC000768382288 576278075 /nfs/dbraw/zinc/27/80/75/576278075.db2.gz OKODWCAKDLNNBY-UHFFFAOYSA-N 1 2 283.291 1.100 20 30 CDEDLO C[C@H]1CC(=NNc2cnnc(O)c2Cl)C[N@@H+]1C ZINC000761804873 576593902 /nfs/dbraw/zinc/59/39/02/576593902.db2.gz TZWQWWAGKWXGOP-LURJTMIESA-N 1 2 255.709 1.328 20 30 CDEDLO C[C@H]1CC(=NNc2cnnc(O)c2Cl)C[N@H+]1C ZINC000761804873 576593903 /nfs/dbraw/zinc/59/39/03/576593903.db2.gz TZWQWWAGKWXGOP-LURJTMIESA-N 1 2 255.709 1.328 20 30 CDEDLO CCn1cc(C(C)N=Nc2ccc(-n3cc[nH+]c3)nn2)cn1 ZINC000761857660 576598569 /nfs/dbraw/zinc/59/85/69/576598569.db2.gz LHQHQXIJIITDTA-UHFFFAOYSA-N 1 2 296.338 1.715 20 30 CDEDLO COc1ccc(C=NNc2ccc(-n3cc[nH+]c3)nn2)cn1 ZINC000761858747 576598624 /nfs/dbraw/zinc/59/86/24/576598624.db2.gz YTNKGURHPXGAHV-UHFFFAOYSA-N 1 2 295.306 1.512 20 30 CDEDLO COc1ccc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)cn1 ZINC000761858747 576598626 /nfs/dbraw/zinc/59/86/26/576598626.db2.gz YTNKGURHPXGAHV-UHFFFAOYSA-N 1 2 295.306 1.512 20 30 CDEDLO C[C@@H]1CC(NC(=O)c2ccc(-n3cc[nH+]c3)nc2)=NO1 ZINC000763261446 576727588 /nfs/dbraw/zinc/72/75/88/576727588.db2.gz XDBHWMLXZWMMAX-SECBINFHSA-N 1 2 271.280 1.119 20 30 CDEDLO C#CC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000753906406 576865449 /nfs/dbraw/zinc/86/54/49/576865449.db2.gz CFIGTPAZNTWWKE-OAHLLOKOSA-N 1 2 299.330 1.276 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ncc(C)cc2OC)CC1 ZINC000754185000 576883777 /nfs/dbraw/zinc/88/37/77/576883777.db2.gz PRZMOTKKFLBZEQ-UHFFFAOYSA-N 1 2 287.363 1.180 20 30 CDEDLO CC(C)c1[nH+]c(C=NN2CC(=O)NC2=O)c2ccccn21 ZINC000755612952 576952044 /nfs/dbraw/zinc/95/20/44/576952044.db2.gz ZDTTZJUAYRFYNO-UHFFFAOYSA-N 1 2 285.307 1.343 20 30 CDEDLO CN(C)c1cc(COC(=O)c2ccc(C#N)cn2)cc[nH+]1 ZINC000755912027 576967597 /nfs/dbraw/zinc/96/75/97/576967597.db2.gz AZWZCXKQPCBDIG-UHFFFAOYSA-N 1 2 282.303 1.771 20 30 CDEDLO C#Cc1ccc(C(=O)Nc2cc(N(C)C)cc[nH+]2)cn1 ZINC000753013020 577139695 /nfs/dbraw/zinc/13/96/95/577139695.db2.gz FNSDCXAKVZWYFY-UHFFFAOYSA-N 1 2 266.304 1.776 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ocnc2CC)C1 ZINC000951707693 612993206 /nfs/dbraw/zinc/99/32/06/612993206.db2.gz DRTKEUKEBWTFKW-UHFFFAOYSA-N 1 2 275.352 1.407 20 30 CDEDLO N#Cc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)cc1 ZINC000822826021 599407523 /nfs/dbraw/zinc/40/75/23/599407523.db2.gz RMWXVIQOATURHL-UHFFFAOYSA-N 1 2 280.291 1.621 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(C)sn2)C1 ZINC000949981048 612991707 /nfs/dbraw/zinc/99/17/07/612991707.db2.gz HKDMEWUGXSFWMH-UHFFFAOYSA-N 1 2 277.393 1.621 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnn(C(F)F)c2)C1 ZINC000957041186 612992754 /nfs/dbraw/zinc/99/27/54/612992754.db2.gz WOOBOBQCNYBCJP-UHFFFAOYSA-N 1 2 296.321 1.448 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ncoc2C(C)(C)C)CC1 ZINC000957112884 613011035 /nfs/dbraw/zinc/01/10/35/613011035.db2.gz SGKFKMNVIRQCQX-UHFFFAOYSA-N 1 2 289.379 1.753 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC000969563576 613242227 /nfs/dbraw/zinc/24/22/27/613242227.db2.gz FABFADSQHNOBJL-LLVKDONJSA-N 1 2 294.424 1.831 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccns2)C1 ZINC000966491562 613249276 /nfs/dbraw/zinc/24/92/76/613249276.db2.gz PBXRRDDFBPICDZ-QWRGUYRKSA-N 1 2 263.366 1.217 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccns2)C1 ZINC000966491562 613249278 /nfs/dbraw/zinc/24/92/78/613249278.db2.gz PBXRRDDFBPICDZ-QWRGUYRKSA-N 1 2 263.366 1.217 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)C2(c3cccnc3)CC2)CC1 ZINC000949804140 613315911 /nfs/dbraw/zinc/31/59/11/613315911.db2.gz OAQDMUITEVUSIF-UHFFFAOYSA-N 1 2 285.391 1.834 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccncn2)C1 ZINC000970608746 613371815 /nfs/dbraw/zinc/37/18/15/613371815.db2.gz NVIZJILCHUMXGN-SNVBAGLBSA-N 1 2 280.759 1.279 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cnnn2C)C1 ZINC000965979217 613378095 /nfs/dbraw/zinc/37/80/95/613378095.db2.gz CKWNYHPHLNYVDJ-GXSJLCMTSA-N 1 2 297.790 1.008 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cnnn2C)C1 ZINC000965979217 613378096 /nfs/dbraw/zinc/37/80/96/613378096.db2.gz CKWNYHPHLNYVDJ-GXSJLCMTSA-N 1 2 297.790 1.008 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2cnoc2)C(C)(C)C1 ZINC000974959449 613379969 /nfs/dbraw/zinc/37/99/69/613379969.db2.gz NHJIHDKLRUOCJL-GFCCVEGCSA-N 1 2 297.786 1.796 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2cnoc2)C(C)(C)C1 ZINC000974959449 613379970 /nfs/dbraw/zinc/37/99/70/613379970.db2.gz NHJIHDKLRUOCJL-GFCCVEGCSA-N 1 2 297.786 1.796 20 30 CDEDLO C=CCC[NH+]1CC(N(CC)C(=O)c2cc(OC)ns2)C1 ZINC000950350666 613479788 /nfs/dbraw/zinc/47/97/88/613479788.db2.gz ZLMUVWITWJOWKM-UHFFFAOYSA-N 1 2 295.408 1.874 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCc2ccccn2)CC1 ZINC000949613670 613561940 /nfs/dbraw/zinc/56/19/40/613561940.db2.gz GHTUAZCCXIUKAL-UHFFFAOYSA-N 1 2 271.364 1.182 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2CC(C)(C)CO2)CC1 ZINC000949250437 613708763 /nfs/dbraw/zinc/70/87/63/613708763.db2.gz VNAWONHACHDWDF-CYBMUJFWSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](CC)O2)CC1 ZINC000948603259 613711039 /nfs/dbraw/zinc/71/10/39/613711039.db2.gz BBMSBYLOCIYWGS-STQMWFEESA-N 1 2 252.358 1.274 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC000956978902 613711745 /nfs/dbraw/zinc/71/17/45/613711745.db2.gz GHPNUNFJLKZSPH-DZGCQCFKSA-N 1 2 250.386 1.999 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3occc3C)C2)C1 ZINC000972255882 613724664 /nfs/dbraw/zinc/72/46/64/613724664.db2.gz AWZWVFRMZQRCND-INIZCTEOSA-N 1 2 290.363 1.691 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3occc3C)C2)C1 ZINC000972255882 613724665 /nfs/dbraw/zinc/72/46/65/613724665.db2.gz AWZWVFRMZQRCND-INIZCTEOSA-N 1 2 290.363 1.691 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC3(F)F)C2)C1 ZINC000972373452 613726519 /nfs/dbraw/zinc/72/65/19/613726519.db2.gz KVLFGMFLSQJMRX-DGCLKSJQSA-N 1 2 286.322 1.131 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC3(F)F)C2)C1 ZINC000972373452 613726521 /nfs/dbraw/zinc/72/65/21/613726521.db2.gz KVLFGMFLSQJMRX-DGCLKSJQSA-N 1 2 286.322 1.131 20 30 CDEDLO C[N@H+](Cc1ccon1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971363709 616088333 /nfs/dbraw/zinc/08/83/33/616088333.db2.gz CVVVVLDZJLRUCP-CYBMUJFWSA-N 1 2 299.334 1.221 20 30 CDEDLO C[N@@H+](Cc1ccon1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971363709 616088334 /nfs/dbraw/zinc/08/83/34/616088334.db2.gz CVVVVLDZJLRUCP-CYBMUJFWSA-N 1 2 299.334 1.221 20 30 CDEDLO C=CCC1(O)CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000924437579 617740908 /nfs/dbraw/zinc/74/09/08/617740908.db2.gz RWFXMVJPGYLSIY-UHFFFAOYSA-N 1 2 296.411 1.027 20 30 CDEDLO C[C@@H](O)C[NH+]1CCN(c2cc(C#N)sc2[N+](=O)[O-])CC1 ZINC000892312645 617755168 /nfs/dbraw/zinc/75/51/68/617755168.db2.gz FVXNBRDYIRJWPS-SECBINFHSA-N 1 2 296.352 1.031 20 30 CDEDLO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1nc(N(C)C)no1 ZINC000893674916 617828187 /nfs/dbraw/zinc/82/81/87/617828187.db2.gz NSWSKMBXUBLEHZ-VIFPVBQESA-N 1 2 251.334 1.554 20 30 CDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H]1CO ZINC000934022487 617861908 /nfs/dbraw/zinc/86/19/08/617861908.db2.gz YNVYFUGVSKHRRX-UKRRQHHQSA-N 1 2 287.363 1.388 20 30 CDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H]1CO ZINC000934022487 617861909 /nfs/dbraw/zinc/86/19/09/617861909.db2.gz YNVYFUGVSKHRRX-UKRRQHHQSA-N 1 2 287.363 1.388 20 30 CDEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C#N)C1 ZINC000932150582 617950090 /nfs/dbraw/zinc/95/00/90/617950090.db2.gz CWLGWZDZAXZNEU-UKRRQHHQSA-N 1 2 285.347 1.534 20 30 CDEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](C#N)C1 ZINC000932150582 617950104 /nfs/dbraw/zinc/95/01/04/617950104.db2.gz CWLGWZDZAXZNEU-UKRRQHHQSA-N 1 2 285.347 1.534 20 30 CDEDLO COc1c[nH]c(CO)c(C[N@H+](CCC#N)CC(C)C)c1=O ZINC000902068308 618533572 /nfs/dbraw/zinc/53/35/72/618533572.db2.gz RGHOJUQQDHZZBQ-UHFFFAOYSA-N 1 2 293.367 1.247 20 30 CDEDLO COc1c[nH]c(CO)c(C[N@@H+](CCC#N)CC(C)C)c1=O ZINC000902068308 618533579 /nfs/dbraw/zinc/53/35/79/618533579.db2.gz RGHOJUQQDHZZBQ-UHFFFAOYSA-N 1 2 293.367 1.247 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000834141387 618653227 /nfs/dbraw/zinc/65/32/27/618653227.db2.gz BRXARBQDWQMVHO-PWSUYJOCSA-N 1 2 257.293 1.408 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2csc(C#N)c2)C[C@]2(CCOC2)O1 ZINC000894180617 618664506 /nfs/dbraw/zinc/66/45/06/618664506.db2.gz DXOIWLIGKLGIEZ-RISCZKNCSA-N 1 2 278.377 2.000 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2csc(C#N)c2)C[C@]2(CCOC2)O1 ZINC000894180617 618664509 /nfs/dbraw/zinc/66/45/09/618664509.db2.gz DXOIWLIGKLGIEZ-RISCZKNCSA-N 1 2 278.377 2.000 20 30 CDEDLO C=CCOC[C@@H]([NH2+]CC1CCC(OC)CC1)C(=O)OC ZINC000894192797 618678820 /nfs/dbraw/zinc/67/88/20/618678820.db2.gz PRIAENFXZKPQFD-JXQTWKCFSA-N 1 2 285.384 1.525 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000896698426 620204975 /nfs/dbraw/zinc/20/49/75/620204975.db2.gz NQJHTSZOQIQTKC-QGZVFWFLSA-N 1 2 298.386 1.605 20 30 CDEDLO C=C1C[NH+](C[C@H](O)COc2cccc3[nH]ccc32)C1 ZINC000899900928 622516875 /nfs/dbraw/zinc/51/68/75/622516875.db2.gz YNDIVFXGTMUQBI-LBPRGKRZSA-N 1 2 258.321 1.779 20 30 CDEDLO C#CC[N@H+](CN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1=O)C(C)C ZINC000902380594 624737343 /nfs/dbraw/zinc/73/73/43/624737343.db2.gz BFKFSCKNGXTCDC-FHIRATQRSA-N 1 2 286.375 1.485 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1=O)C(C)C ZINC000902380594 624737347 /nfs/dbraw/zinc/73/73/47/624737347.db2.gz BFKFSCKNGXTCDC-FHIRATQRSA-N 1 2 286.375 1.485 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2nnc(C(C)(C)C)o2)C1 ZINC000902729723 625277643 /nfs/dbraw/zinc/27/76/43/625277643.db2.gz MHHDHIJSOTXVNB-LLVKDONJSA-N 1 2 290.367 1.195 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2nnc(C(C)(C)C)o2)C1 ZINC000902729723 625277646 /nfs/dbraw/zinc/27/76/46/625277646.db2.gz MHHDHIJSOTXVNB-LLVKDONJSA-N 1 2 290.367 1.195 20 30 CDEDLO Cn1ncc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)n1 ZINC000905078902 626393489 /nfs/dbraw/zinc/39/34/89/626393489.db2.gz YRIKWVFHYPHGEC-PLNGDYQASA-N 1 2 277.353 1.229 20 30 CDEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000908652614 628316985 /nfs/dbraw/zinc/31/69/85/628316985.db2.gz POOKRBJPHXGZEP-HIFRSBDPSA-N 1 2 294.395 1.233 20 30 CDEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000908652614 628316988 /nfs/dbraw/zinc/31/69/88/628316988.db2.gz POOKRBJPHXGZEP-HIFRSBDPSA-N 1 2 294.395 1.233 20 30 CDEDLO CC(C)(C#N)CS(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000914236787 631276218 /nfs/dbraw/zinc/27/62/18/631276218.db2.gz FBJYNRXGPQNRCC-NSHDSACASA-N 1 2 296.396 1.469 20 30 CDEDLO N#C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)C1CCCC1 ZINC000921552661 633075408 /nfs/dbraw/zinc/07/54/08/633075408.db2.gz XZQCCZCKCGNDBL-XSHSDMCLSA-N 1 2 277.368 1.073 20 30 CDEDLO C[C@@H](O)c1ncc(C[NH+]2CCC(C#N)CC2)s1 ZINC000809558314 1163046021 /nfs/dbraw/zinc/04/60/21/1163046021.db2.gz YDUIRKSPURBTNR-SECBINFHSA-N 1 2 251.355 1.932 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2ccccc2[nH]1 ZINC001085961803 1161956977 /nfs/dbraw/zinc/95/69/77/1161956977.db2.gz PDNVYYGERRFWMX-CQSZACIVSA-N 1 2 281.359 1.947 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2ccccc2[nH]1 ZINC001085961803 1161956981 /nfs/dbraw/zinc/95/69/81/1161956981.db2.gz PDNVYYGERRFWMX-CQSZACIVSA-N 1 2 281.359 1.947 20 30 CDEDLO C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)Nc1ccc(C#N)nc1 ZINC001113083344 1162095685 /nfs/dbraw/zinc/09/56/85/1162095685.db2.gz YTGJWYIWYUPPJR-RYUDHWBXSA-N 1 2 298.350 1.155 20 30 CDEDLO Cc1nc([C@H](C)[NH2+]CCCNC(=O)C#CC(C)C)no1 ZINC001157639087 1162251817 /nfs/dbraw/zinc/25/18/17/1162251817.db2.gz XVNXOICBCSCQTC-NSHDSACASA-N 1 2 278.356 1.194 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001132217693 1163201028 /nfs/dbraw/zinc/20/10/28/1163201028.db2.gz FVHCVZUIYOQEBW-NEPJUHHUSA-N 1 2 281.400 1.043 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001132217693 1163201033 /nfs/dbraw/zinc/20/10/33/1163201033.db2.gz FVHCVZUIYOQEBW-NEPJUHHUSA-N 1 2 281.400 1.043 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171533816 1164287564 /nfs/dbraw/zinc/28/75/64/1164287564.db2.gz PZHFLVRDCWSIRG-WDEREUQCSA-N 1 2 295.308 1.759 20 30 CDEDLO Cn1ncc2c1C[N@H+](Cc1ccc(OCC#N)cc1)CC2 ZINC001137121355 1166051294 /nfs/dbraw/zinc/05/12/94/1166051294.db2.gz GVESEGWSKPPXIF-UHFFFAOYSA-N 1 2 282.347 1.881 20 30 CDEDLO Cn1ncc2c1C[N@@H+](Cc1ccc(OCC#N)cc1)CC2 ZINC001137121355 1166051297 /nfs/dbraw/zinc/05/12/97/1166051297.db2.gz GVESEGWSKPPXIF-UHFFFAOYSA-N 1 2 282.347 1.881 20 30 CDEDLO Cc1cc(C#N)cc(C)c1CN1CC[NH2+]C[C@@H]1C#N ZINC001579553959 1172209876 /nfs/dbraw/zinc/20/98/76/1172209876.db2.gz GBDRXCLYWUFPJR-AWEZNQCLSA-N 1 2 254.337 1.473 20 30 CDEDLO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](C#N)CCC#N ZINC001591134962 1173573923 /nfs/dbraw/zinc/57/39/23/1173573923.db2.gz GJQNHMNCEPZAOX-ZDUSSCGKSA-N 1 2 295.350 1.742 20 30 CDEDLO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](C#N)CCC#N ZINC001591134962 1173573928 /nfs/dbraw/zinc/57/39/28/1173573928.db2.gz GJQNHMNCEPZAOX-ZDUSSCGKSA-N 1 2 295.350 1.742 20 30 CDEDLO CC#CC[N@H+](C)CCCNC(=O)C(F)C(F)(F)F ZINC001751979030 1184803882 /nfs/dbraw/zinc/80/38/82/1184803882.db2.gz LPZHLEULLLKOCL-SECBINFHSA-N 1 2 268.254 1.348 20 30 CDEDLO CC#CC[N@@H+](C)CCCNC(=O)C(F)C(F)(F)F ZINC001751979030 1184803886 /nfs/dbraw/zinc/80/38/86/1184803886.db2.gz LPZHLEULLLKOCL-SECBINFHSA-N 1 2 268.254 1.348 20 30 CDEDLO CC#CC[N@H+](C)CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001751979030 1184803890 /nfs/dbraw/zinc/80/38/90/1184803890.db2.gz LPZHLEULLLKOCL-SECBINFHSA-N 1 2 268.254 1.348 20 30 CDEDLO CC#CC[N@@H+](C)CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001751979030 1184803893 /nfs/dbraw/zinc/80/38/93/1184803893.db2.gz LPZHLEULLLKOCL-SECBINFHSA-N 1 2 268.254 1.348 20 30 CDEDLO CC(C)C#CC(=O)NCC[NH+]1CCN(C/C=C/Cl)CC1 ZINC001752364725 1184854906 /nfs/dbraw/zinc/85/49/06/1184854906.db2.gz BZDOCSROIYYFEX-ZZXKWVIFSA-N 1 2 297.830 1.132 20 30 CDEDLO CC(C)C#CC(=O)NCCN1CC[NH+](C/C=C/Cl)CC1 ZINC001752364725 1184854911 /nfs/dbraw/zinc/85/49/11/1184854911.db2.gz BZDOCSROIYYFEX-ZZXKWVIFSA-N 1 2 297.830 1.132 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CCNC(=O)C1CCC1 ZINC001753038954 1185005508 /nfs/dbraw/zinc/00/55/08/1185005508.db2.gz GLZHCROMHTWRMZ-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CCNC(=O)C1CCC1 ZINC001753038954 1185005515 /nfs/dbraw/zinc/00/55/15/1185005515.db2.gz GLZHCROMHTWRMZ-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO C=CCOCC(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001753043599 1185010999 /nfs/dbraw/zinc/01/09/99/1185010999.db2.gz GHAPQGFQNPXTEM-UHFFFAOYSA-N 1 2 287.363 1.309 20 30 CDEDLO C=CCOCC(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001753043599 1185011005 /nfs/dbraw/zinc/01/10/05/1185011005.db2.gz GHAPQGFQNPXTEM-UHFFFAOYSA-N 1 2 287.363 1.309 20 30 CDEDLO C=CCCC(=O)NCC1C[NH+](Cc2cc(C)ncn2)C1 ZINC001753396962 1185185526 /nfs/dbraw/zinc/18/55/26/1185185526.db2.gz DOSGDCVZXDNPJC-UHFFFAOYSA-N 1 2 274.368 1.299 20 30 CDEDLO C=CCC1(C(=O)N[C@@H](C)C[NH2+]Cc2csnn2)CCC1 ZINC001754282177 1185548600 /nfs/dbraw/zinc/54/86/00/1185548600.db2.gz PHTWJXJAGLVRGA-NSHDSACASA-N 1 2 294.424 1.879 20 30 CDEDLO C[C@]1(CNC(=O)CCc2c[nH]c[nH+]2)CCCN(CC#N)C1 ZINC001754727276 1185716714 /nfs/dbraw/zinc/71/67/14/1185716714.db2.gz HILSJRPPMKHWFS-OAHLLOKOSA-N 1 2 289.383 1.084 20 30 CDEDLO C[C@]1(CNC(=O)CCc2c[nH+]c[nH]2)CCCN(CC#N)C1 ZINC001754727276 1185716723 /nfs/dbraw/zinc/71/67/23/1185716723.db2.gz HILSJRPPMKHWFS-OAHLLOKOSA-N 1 2 289.383 1.084 20 30 CDEDLO C=CCCC(=O)N1CCOC2(C[NH+](CC[C@@H](C)F)C2)C1 ZINC001755048604 1185799145 /nfs/dbraw/zinc/79/91/45/1185799145.db2.gz BTZQBHPYDLXNEI-CYBMUJFWSA-N 1 2 284.375 1.614 20 30 CDEDLO C#CCCCCC(=O)NC[C@H]1CCC2(C[NH+](CC=C)C2)O1 ZINC001755054090 1185801872 /nfs/dbraw/zinc/80/18/72/1185801872.db2.gz HPFXVWCRUOFUGC-OAHLLOKOSA-N 1 2 290.407 1.716 20 30 CDEDLO C=C(C)CCC(=O)N[C@H](C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001755974833 1186115403 /nfs/dbraw/zinc/11/54/03/1186115403.db2.gz UZFZMVRXWWUTFS-NEPJUHHUSA-N 1 2 292.383 1.318 20 30 CDEDLO CCCCCCCCCNC(=O)CN1CC[NH2+]CC1=O ZINC000236634206 739233830 /nfs/dbraw/zinc/23/38/30/739233830.db2.gz IAVUFHCEAQSJOQ-UHFFFAOYSA-N 1 2 283.416 1.285 20 30 CDEDLO C[C@H]1C[C@@H](NCC#N)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC001044678755 739337310 /nfs/dbraw/zinc/33/73/10/739337310.db2.gz YMGYGWQMFGBWFS-STQMWFEESA-N 1 2 297.362 1.441 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2Cl)C1 ZINC001035592587 739343779 /nfs/dbraw/zinc/34/37/79/739343779.db2.gz QJNGLDVDJDUYLA-GFCCVEGCSA-N 1 2 294.782 1.957 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccccc2Cl)C1 ZINC001035592587 739343789 /nfs/dbraw/zinc/34/37/89/739343789.db2.gz QJNGLDVDJDUYLA-GFCCVEGCSA-N 1 2 294.782 1.957 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001035366760 739421556 /nfs/dbraw/zinc/42/15/56/739421556.db2.gz QWVILILPVLOABP-GJZGRUSLSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001035366760 739421565 /nfs/dbraw/zinc/42/15/65/739421565.db2.gz QWVILILPVLOABP-GJZGRUSLSA-N 1 2 292.423 1.960 20 30 CDEDLO Cc1cnn(C)c1C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000862423125 739426130 /nfs/dbraw/zinc/42/61/30/739426130.db2.gz OYJQKLJNRYFLOD-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO C#Cc1cccnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000853102865 739467750 /nfs/dbraw/zinc/46/77/50/739467750.db2.gz RXSBBTRRXAOERM-UHFFFAOYSA-N 1 2 278.359 1.780 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc(C)n[nH]2)C1 ZINC001031563771 739525221 /nfs/dbraw/zinc/52/52/21/739525221.db2.gz VPHFRBPFMIWQGB-UHFFFAOYSA-N 1 2 268.748 1.132 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[C@H]1C)CCO2 ZINC001053141336 739650514 /nfs/dbraw/zinc/65/05/14/739650514.db2.gz SQVMDAADKHDLSF-OLZOCXBDSA-N 1 2 264.369 1.132 20 30 CDEDLO COC(C[NH+]1CCN(c2ccsc2C#N)CC1)OC ZINC000852342288 739808982 /nfs/dbraw/zinc/80/89/82/739808982.db2.gz AWIYRAITPPRHEE-UHFFFAOYSA-N 1 2 281.381 1.361 20 30 CDEDLO CC(C)n1c[nH+]cc1CN=Nc1cc(Cl)nc(N)n1 ZINC000819812939 739828254 /nfs/dbraw/zinc/82/82/54/739828254.db2.gz QOVXMURZGNWHRL-UHFFFAOYSA-N 1 2 279.735 1.936 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(CCC)c1 ZINC001038366554 739886923 /nfs/dbraw/zinc/88/69/23/739886923.db2.gz KYIZPXZFLGLOKI-OAHLLOKOSA-N 1 2 271.364 1.471 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc(CCC)c1 ZINC001038366554 739886926 /nfs/dbraw/zinc/88/69/26/739886926.db2.gz KYIZPXZFLGLOKI-OAHLLOKOSA-N 1 2 271.364 1.471 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CCCO1)CO2 ZINC001053747512 739892811 /nfs/dbraw/zinc/89/28/11/739892811.db2.gz AAZGDAPGSSISIX-KBPBESRZSA-N 1 2 294.395 1.091 20 30 CDEDLO C#CCC(C)(C)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928643339 739962270 /nfs/dbraw/zinc/96/22/70/739962270.db2.gz JRFOQYFGUPEUNU-ZDUSSCGKSA-N 1 2 266.385 1.263 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nocc1C)O2 ZINC001053688511 740090004 /nfs/dbraw/zinc/09/00/04/740090004.db2.gz ROHJUGFCACWRLD-GFCCVEGCSA-N 1 2 291.351 1.132 20 30 CDEDLO COc1ccc(F)cc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000819462487 740185702 /nfs/dbraw/zinc/18/57/02/740185702.db2.gz IGLBABGPDOSZCB-GFCCVEGCSA-N 1 2 281.331 1.453 20 30 CDEDLO COc1ccc(F)cc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000819462487 740185714 /nfs/dbraw/zinc/18/57/14/740185714.db2.gz IGLBABGPDOSZCB-GFCCVEGCSA-N 1 2 281.331 1.453 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cnoc2)C1 ZINC001008280972 740262797 /nfs/dbraw/zinc/26/27/97/740262797.db2.gz GIONZQADROLYPY-GFCCVEGCSA-N 1 2 283.759 1.550 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cnoc2)C1 ZINC001008280972 740262809 /nfs/dbraw/zinc/26/28/09/740262809.db2.gz GIONZQADROLYPY-GFCCVEGCSA-N 1 2 283.759 1.550 20 30 CDEDLO Cn1cnc(C=NNc2cc[nH+]c3ccccc23)c1 ZINC000794507644 740460522 /nfs/dbraw/zinc/46/05/22/740460522.db2.gz MEEDGXMNHPIGKO-UHFFFAOYSA-N 1 2 251.293 1.836 20 30 CDEDLO C#C[C@@H](CC)NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000854070460 740377185 /nfs/dbraw/zinc/37/71/85/740377185.db2.gz NSZSNMCOCCGRKO-QWHCGFSZSA-N 1 2 260.341 1.641 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCCCO1 ZINC001032658021 740400647 /nfs/dbraw/zinc/40/06/47/740400647.db2.gz LZQWDXKZRRPYCB-SOUVJXGZSA-N 1 2 276.380 1.254 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCCCO1 ZINC001032658021 740400649 /nfs/dbraw/zinc/40/06/49/740400649.db2.gz LZQWDXKZRRPYCB-SOUVJXGZSA-N 1 2 276.380 1.254 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1n[nH]c2c1CCCCC2 ZINC001039021355 740435082 /nfs/dbraw/zinc/43/50/82/740435082.db2.gz LSNKTFJLQVPTHB-LBPRGKRZSA-N 1 2 286.379 1.116 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1n[nH]c2c1CCCCC2 ZINC001039021355 740435085 /nfs/dbraw/zinc/43/50/85/740435085.db2.gz LSNKTFJLQVPTHB-LBPRGKRZSA-N 1 2 286.379 1.116 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc[nH]2)C1 ZINC001032901966 740450739 /nfs/dbraw/zinc/45/07/39/740450739.db2.gz GSRGEVGRWINDDO-NSHDSACASA-N 1 2 267.760 1.914 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc[nH]2)C1 ZINC001032901966 740450741 /nfs/dbraw/zinc/45/07/41/740450741.db2.gz GSRGEVGRWINDDO-NSHDSACASA-N 1 2 267.760 1.914 20 30 CDEDLO C=CC[C@H]([NH2+][C@H](COC)[C@H]1CCCOC1)C(=O)OC ZINC000886917900 740493678 /nfs/dbraw/zinc/49/36/78/740493678.db2.gz MZMRVSDZFVXKEV-RWMBFGLXSA-N 1 2 271.357 1.135 20 30 CDEDLO C[N@H+](CCCF)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000716725882 740504717 /nfs/dbraw/zinc/50/47/17/740504717.db2.gz UENBWVNJSMRVRX-UHFFFAOYSA-N 1 2 284.356 1.623 20 30 CDEDLO C[N@@H+](CCCF)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000716725882 740504723 /nfs/dbraw/zinc/50/47/23/740504723.db2.gz UENBWVNJSMRVRX-UHFFFAOYSA-N 1 2 284.356 1.623 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1OC ZINC001038648980 740506060 /nfs/dbraw/zinc/50/60/60/740506060.db2.gz VUEDSORDSZGOBH-GFCCVEGCSA-N 1 2 292.766 1.786 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1OC ZINC001038648980 740506062 /nfs/dbraw/zinc/50/60/62/740506062.db2.gz VUEDSORDSZGOBH-GFCCVEGCSA-N 1 2 292.766 1.786 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2ccc(Cl)nc2)CC1 ZINC000254975926 740532103 /nfs/dbraw/zinc/53/21/03/740532103.db2.gz UKOJTLFRVPBJNO-XQRVVYSFSA-N 1 2 289.766 1.526 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3nc(C)ccc3o2)C1 ZINC000923579712 740584077 /nfs/dbraw/zinc/58/40/77/740584077.db2.gz VRFRBPQWNZDIOQ-CYBMUJFWSA-N 1 2 297.358 1.964 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3nc(C)ccc3o2)C1 ZINC000923579712 740584080 /nfs/dbraw/zinc/58/40/80/740584080.db2.gz VRFRBPQWNZDIOQ-CYBMUJFWSA-N 1 2 297.358 1.964 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001035359519 740546103 /nfs/dbraw/zinc/54/61/03/740546103.db2.gz UAFCEWJHGNBHNG-MNOVXSKESA-N 1 2 274.311 1.035 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001035359519 740546107 /nfs/dbraw/zinc/54/61/07/740546107.db2.gz UAFCEWJHGNBHNG-MNOVXSKESA-N 1 2 274.311 1.035 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](C[C@@H](O)c2c(F)cccc2F)C1 ZINC000829975750 740645065 /nfs/dbraw/zinc/64/50/65/740645065.db2.gz TVRFLQIMECRBPS-OCCSQVGLSA-N 1 2 282.290 1.349 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](C[C@@H](O)c2c(F)cccc2F)C1 ZINC000829975750 740645068 /nfs/dbraw/zinc/64/50/68/740645068.db2.gz TVRFLQIMECRBPS-OCCSQVGLSA-N 1 2 282.290 1.349 20 30 CDEDLO Cc1ccccc1CNC(=O)CO[NH+]=C(N)c1ccccc1 ZINC000024034361 740745762 /nfs/dbraw/zinc/74/57/62/740745762.db2.gz VFCKEYIXHKJZSP-UHFFFAOYSA-N 1 2 297.358 1.948 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c(C)ncn2C)C1 ZINC001042994592 740776098 /nfs/dbraw/zinc/77/60/98/740776098.db2.gz UOXRNPFLVUYVNS-UHFFFAOYSA-N 1 2 262.357 1.061 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2nnc[nH]2)C1 ZINC001025561615 740830620 /nfs/dbraw/zinc/83/06/20/740830620.db2.gz MMLJXSXWZADCGO-QWRGUYRKSA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2nnc[nH]2)C1 ZINC001025561615 740830624 /nfs/dbraw/zinc/83/06/24/740830624.db2.gz MMLJXSXWZADCGO-QWRGUYRKSA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ncn[nH]2)C1 ZINC001025561615 740830627 /nfs/dbraw/zinc/83/06/27/740830627.db2.gz MMLJXSXWZADCGO-QWRGUYRKSA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ncn[nH]2)C1 ZINC001025561615 740830628 /nfs/dbraw/zinc/83/06/28/740830628.db2.gz MMLJXSXWZADCGO-QWRGUYRKSA-N 1 2 297.790 1.388 20 30 CDEDLO CO[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032299576 740835000 /nfs/dbraw/zinc/83/50/00/740835000.db2.gz IYBQEMVYZQAJJS-RCBQFDQVSA-N 1 2 299.374 1.378 20 30 CDEDLO CO[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032299576 740835004 /nfs/dbraw/zinc/83/50/04/740835004.db2.gz IYBQEMVYZQAJJS-RCBQFDQVSA-N 1 2 299.374 1.378 20 30 CDEDLO C=CCC[N@@H+](C)CN1C(=O)c2ccc(OC)cc2C1=O ZINC000844703205 740839806 /nfs/dbraw/zinc/83/98/06/740839806.db2.gz SZGAQWNMDRQFMS-UHFFFAOYSA-N 1 2 274.320 1.757 20 30 CDEDLO C=CCC[N@H+](C)CN1C(=O)c2ccc(OC)cc2C1=O ZINC000844703205 740839807 /nfs/dbraw/zinc/83/98/07/740839807.db2.gz SZGAQWNMDRQFMS-UHFFFAOYSA-N 1 2 274.320 1.757 20 30 CDEDLO C#CCC[C@@H](O)CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000799074317 740844136 /nfs/dbraw/zinc/84/41/36/740844136.db2.gz FVDFZJVZWNEYOS-MRXNPFEDSA-N 1 2 297.358 1.436 20 30 CDEDLO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1[nH]ncc1F ZINC001024636943 740868749 /nfs/dbraw/zinc/86/87/49/740868749.db2.gz FAFQCEUCOHADQN-SNVBAGLBSA-N 1 2 266.320 1.319 20 30 CDEDLO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1[nH]ncc1F ZINC001024636943 740868750 /nfs/dbraw/zinc/86/87/50/740868750.db2.gz FAFQCEUCOHADQN-SNVBAGLBSA-N 1 2 266.320 1.319 20 30 CDEDLO COc1ccc(O)c(/C=N\[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000255412389 740877636 /nfs/dbraw/zinc/87/76/36/740877636.db2.gz QOTNBIPBPZKWEV-KPENOIPVSA-N 1 2 278.352 1.540 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc3[nH]c(=O)[nH]c32)C1 ZINC001030458398 740892857 /nfs/dbraw/zinc/89/28/57/740892857.db2.gz ROYYLMTUXOSXCI-UHFFFAOYSA-N 1 2 286.335 1.259 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001016174083 740894917 /nfs/dbraw/zinc/89/49/17/740894917.db2.gz KLFWNYPWHMKHLA-SECBINFHSA-N 1 2 268.769 1.839 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001016174083 740894918 /nfs/dbraw/zinc/89/49/18/740894918.db2.gz KLFWNYPWHMKHLA-SECBINFHSA-N 1 2 268.769 1.839 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000935663638 741069956 /nfs/dbraw/zinc/06/99/56/741069956.db2.gz VDNWZCXEZJQNKX-CYBMUJFWSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001051069105 740955311 /nfs/dbraw/zinc/95/53/11/740955311.db2.gz YQULKPRKMWFYQD-AVGNSLFASA-N 1 2 252.358 1.036 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001051069105 740955313 /nfs/dbraw/zinc/95/53/13/740955313.db2.gz YQULKPRKMWFYQD-AVGNSLFASA-N 1 2 252.358 1.036 20 30 CDEDLO N#Cc1ccc(CC(=O)OCCCn2cc[nH+]c2)cc1 ZINC000783341479 740971997 /nfs/dbraw/zinc/97/19/97/740971997.db2.gz NRMOENRKMQIKEJ-UHFFFAOYSA-N 1 2 269.304 1.931 20 30 CDEDLO O=c1ccccn1N=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000776790621 740983140 /nfs/dbraw/zinc/98/31/40/740983140.db2.gz BURVEXLIRPEHGN-UHFFFAOYSA-N 1 2 264.288 1.916 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1[C@H](C)CC ZINC001032428338 741065469 /nfs/dbraw/zinc/06/54/69/741065469.db2.gz PIJDNPUBPDIIOC-RDBSUJKOSA-N 1 2 286.379 1.386 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1[C@H](C)CC ZINC001032428338 741065472 /nfs/dbraw/zinc/06/54/72/741065472.db2.gz PIJDNPUBPDIIOC-RDBSUJKOSA-N 1 2 286.379 1.386 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC001024453327 741125571 /nfs/dbraw/zinc/12/55/71/741125571.db2.gz VTFRPINDKUZXHN-YDHLFZDLSA-N 1 2 298.814 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC001024453327 741125574 /nfs/dbraw/zinc/12/55/74/741125574.db2.gz VTFRPINDKUZXHN-YDHLFZDLSA-N 1 2 298.814 1.746 20 30 CDEDLO N#CCN1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001052499247 741139695 /nfs/dbraw/zinc/13/96/95/741139695.db2.gz RHEGDRQXEJXLBV-ZDUSSCGKSA-N 1 2 297.362 1.671 20 30 CDEDLO C=C1CCC(C(=O)N[C@H](CC)C[NH+]2CCOCC2)CC1 ZINC000928635438 741155180 /nfs/dbraw/zinc/15/51/80/741155180.db2.gz QQFSUNZTBFZXLX-OAHLLOKOSA-N 1 2 280.412 1.960 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2[nH]cnc2C)C1 ZINC001016425444 741307262 /nfs/dbraw/zinc/30/72/62/741307262.db2.gz UUOZCMTZKVRIEN-SNVBAGLBSA-N 1 2 268.748 1.275 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]cnc2C)C1 ZINC001016425444 741307267 /nfs/dbraw/zinc/30/72/67/741307267.db2.gz UUOZCMTZKVRIEN-SNVBAGLBSA-N 1 2 268.748 1.275 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2Cc3ccncc3C2)C1 ZINC001043878828 741313230 /nfs/dbraw/zinc/31/32/30/741313230.db2.gz GKXPKIPMMRPQFV-CQSZACIVSA-N 1 2 285.391 1.515 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1nc(C)c[nH]1 ZINC001051156277 741325015 /nfs/dbraw/zinc/32/50/15/741325015.db2.gz WLDMMMQXQNSDDZ-ZDUSSCGKSA-N 1 2 292.383 1.115 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1nc(C)c[nH]1 ZINC001051156277 741325019 /nfs/dbraw/zinc/32/50/19/741325019.db2.gz WLDMMMQXQNSDDZ-ZDUSSCGKSA-N 1 2 292.383 1.115 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCO[C@@H](CCC)C2)C1 ZINC001031155362 741333238 /nfs/dbraw/zinc/33/32/38/741333238.db2.gz KWDJDKGHHYGEOF-ZFWWWQNUSA-N 1 2 278.396 1.405 20 30 CDEDLO C#CCOCCNc1nc(C2CC2)[nH+]c(C)c1OC ZINC000848675898 741354429 /nfs/dbraw/zinc/35/44/29/741354429.db2.gz KFJSIOQMKPBMRO-UHFFFAOYSA-N 1 2 261.325 1.733 20 30 CDEDLO N#Cc1cnc(NCC[NH+]2CCC2)c(Br)c1 ZINC000882126527 741447723 /nfs/dbraw/zinc/44/77/23/741447723.db2.gz DGZMYWVQHCGGCJ-UHFFFAOYSA-N 1 2 281.157 1.833 20 30 CDEDLO NC(CCO)=[NH+]OCc1ccn(-c2c(F)cccc2F)n1 ZINC000121382321 741476465 /nfs/dbraw/zinc/47/64/65/741476465.db2.gz AJQZGWGXNZAAFJ-UHFFFAOYSA-N 1 2 296.277 1.322 20 30 CDEDLO C#CC[C@@H]1CCN(C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000887753554 741492762 /nfs/dbraw/zinc/49/27/62/741492762.db2.gz IEKBRDYPXJKDOI-CQSZACIVSA-N 1 2 286.379 1.938 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[N@H+](C/C=C/Cl)CC1 ZINC000980838336 741528189 /nfs/dbraw/zinc/52/81/89/741528189.db2.gz NEDDSTSLTIOAQU-JRBALWBOSA-N 1 2 255.749 1.433 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[N@@H+](C/C=C/Cl)CC1 ZINC000980838336 741528194 /nfs/dbraw/zinc/52/81/94/741528194.db2.gz NEDDSTSLTIOAQU-JRBALWBOSA-N 1 2 255.749 1.433 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc3c2CCCCC3)C1 ZINC001016264724 741596486 /nfs/dbraw/zinc/59/64/86/741596486.db2.gz VPBAIKDHZZOFDQ-GFCCVEGCSA-N 1 2 288.395 1.669 20 30 CDEDLO C=CC[N@H+]1CC[C@@H](NC(=O)c2[nH]nc3c2CCCCC3)C1 ZINC001016264724 741596492 /nfs/dbraw/zinc/59/64/92/741596492.db2.gz VPBAIKDHZZOFDQ-GFCCVEGCSA-N 1 2 288.395 1.669 20 30 CDEDLO C#Cc1ccccc1CC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000811259059 741738261 /nfs/dbraw/zinc/73/82/61/741738261.db2.gz UKRGMIUSDISITM-CQSZACIVSA-N 1 2 287.359 1.474 20 30 CDEDLO C#Cc1ccccc1CC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000811259059 741738268 /nfs/dbraw/zinc/73/82/68/741738268.db2.gz UKRGMIUSDISITM-CQSZACIVSA-N 1 2 287.359 1.474 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccncc1)O2 ZINC001053565186 741773400 /nfs/dbraw/zinc/77/34/00/741773400.db2.gz NICFBMMZDBNFRW-AWEZNQCLSA-N 1 2 287.363 1.231 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)c(F)cc1F ZINC001038403214 741799123 /nfs/dbraw/zinc/79/91/23/741799123.db2.gz RTUSFSRXESENNO-LLVKDONJSA-N 1 2 278.302 1.711 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)c(F)cc1F ZINC001038403214 741799127 /nfs/dbraw/zinc/79/91/27/741799127.db2.gz RTUSFSRXESENNO-LLVKDONJSA-N 1 2 278.302 1.711 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccccc2-n2ccnn2)C1 ZINC001044372209 741800256 /nfs/dbraw/zinc/80/02/56/741800256.db2.gz FNPVNZHIQKJDLU-UHFFFAOYSA-N 1 2 297.362 1.210 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCCO3)[C@@H]2C1 ZINC001075688932 741808722 /nfs/dbraw/zinc/80/87/22/741808722.db2.gz BVMYWWKJNVKDFO-MJBXVCDLSA-N 1 2 298.814 1.841 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCCO3)[C@@H]2C1 ZINC001075688932 741808725 /nfs/dbraw/zinc/80/87/25/741808725.db2.gz BVMYWWKJNVKDFO-MJBXVCDLSA-N 1 2 298.814 1.841 20 30 CDEDLO C#Cc1ccc(C[NH+]2CC(n3cc(C(=O)OC)nn3)C2)cc1 ZINC000809636224 741811543 /nfs/dbraw/zinc/81/15/43/741811543.db2.gz UJSFKJWQZUDIRE-UHFFFAOYSA-N 1 2 296.330 1.103 20 30 CDEDLO C#CCC(C)(C)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000790128772 741816284 /nfs/dbraw/zinc/81/62/84/741816284.db2.gz UCDLYJJVVXQIGU-CYBMUJFWSA-N 1 2 266.385 1.215 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NCc2nn(C)c(C)c2Cl)C1 ZINC000886209532 741824715 /nfs/dbraw/zinc/82/47/15/741824715.db2.gz OOCCENCKJGNMDA-LBPRGKRZSA-N 1 2 280.803 1.569 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NCc2nn(C)c(C)c2Cl)C1 ZINC000886209532 741824716 /nfs/dbraw/zinc/82/47/16/741824716.db2.gz OOCCENCKJGNMDA-LBPRGKRZSA-N 1 2 280.803 1.569 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn3ccc(C)cc23)C1 ZINC001042987084 741829873 /nfs/dbraw/zinc/82/98/73/741829873.db2.gz DKEXYDFRUPEWCA-UHFFFAOYSA-N 1 2 298.390 1.975 20 30 CDEDLO Cn1cc[nH+]c1CCCOC(=O)c1ccc(C#N)[nH]1 ZINC000802785327 741860978 /nfs/dbraw/zinc/86/09/78/741860978.db2.gz PELAAMSYXAKJNB-UHFFFAOYSA-N 1 2 258.281 1.409 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccncc1CC ZINC001032487323 741864250 /nfs/dbraw/zinc/86/42/50/741864250.db2.gz MPPSFCRTHVHIQM-KBPBESRZSA-N 1 2 269.348 1.176 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccncc1CC ZINC001032487323 741864252 /nfs/dbraw/zinc/86/42/52/741864252.db2.gz MPPSFCRTHVHIQM-KBPBESRZSA-N 1 2 269.348 1.176 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccco1 ZINC001050791143 741869448 /nfs/dbraw/zinc/86/94/48/741869448.db2.gz ZIZMBYUXHCZVBT-LBPRGKRZSA-N 1 2 264.325 1.286 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccco1 ZINC001050791143 741869451 /nfs/dbraw/zinc/86/94/51/741869451.db2.gz ZIZMBYUXHCZVBT-LBPRGKRZSA-N 1 2 264.325 1.286 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC[C@H](CC)O2)C1 ZINC001030391629 741837020 /nfs/dbraw/zinc/83/70/20/741837020.db2.gz GDUFJROCDGUSOO-STQMWFEESA-N 1 2 252.358 1.321 20 30 CDEDLO COC[C@]1(C)CC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000853524194 741942065 /nfs/dbraw/zinc/94/20/65/741942065.db2.gz LJFLKQVUIONLHD-DZGCQCFKSA-N 1 2 279.384 1.455 20 30 CDEDLO COC[C@]1(C)CC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000853524194 741942066 /nfs/dbraw/zinc/94/20/66/741942066.db2.gz LJFLKQVUIONLHD-DZGCQCFKSA-N 1 2 279.384 1.455 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2Cc3cccc(C)c3O2)C1 ZINC001044386457 742056426 /nfs/dbraw/zinc/05/64/26/742056426.db2.gz ZBFKKAHLSCWRMO-INIZCTEOSA-N 1 2 298.386 1.464 20 30 CDEDLO Cc1cc(N[C@H]2CCN(C(=O)[C@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001058853581 742066200 /nfs/dbraw/zinc/06/62/00/742066200.db2.gz NIEBSXSFMMKHJP-MFKMUULPSA-N 1 2 299.378 1.835 20 30 CDEDLO CC(C)n1ncnc1CO[NH+]=C(N)c1ccc(F)cc1 ZINC000853646715 741983124 /nfs/dbraw/zinc/98/31/24/741983124.db2.gz XPFNETUBJTWPSS-UHFFFAOYSA-N 1 2 277.303 1.835 20 30 CDEDLO C[C@@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)CCN1CC#N ZINC000947540805 741990201 /nfs/dbraw/zinc/99/02/01/741990201.db2.gz YQVXRIDPYKZJPT-OLZOCXBDSA-N 1 2 297.362 1.441 20 30 CDEDLO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC001027678800 742168237 /nfs/dbraw/zinc/16/82/37/742168237.db2.gz PQLIOIJHUGJOFQ-CYBMUJFWSA-N 1 2 297.362 1.128 20 30 CDEDLO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC001027678800 742168251 /nfs/dbraw/zinc/16/82/51/742168251.db2.gz PQLIOIJHUGJOFQ-CYBMUJFWSA-N 1 2 297.362 1.128 20 30 CDEDLO N#CC[C@@H](O)C[NH+]1CCN(c2cccs2)CC1 ZINC000929826486 742373415 /nfs/dbraw/zinc/37/34/15/742373415.db2.gz MSAKFFIUKTYQHQ-LLVKDONJSA-N 1 2 251.355 1.145 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CCC)CCO2 ZINC001053125483 742443864 /nfs/dbraw/zinc/44/38/64/742443864.db2.gz ADQYNMCJJUJSKS-UHFFFAOYSA-N 1 2 252.358 1.276 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(OC)c(F)c1 ZINC001038372551 742395686 /nfs/dbraw/zinc/39/56/86/742395686.db2.gz SJSOYAFHHDQXQT-ZDUSSCGKSA-N 1 2 290.338 1.662 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OC)c(F)c1 ZINC001038372551 742395688 /nfs/dbraw/zinc/39/56/88/742395688.db2.gz SJSOYAFHHDQXQT-ZDUSSCGKSA-N 1 2 290.338 1.662 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)C)on1 ZINC001038566280 742321434 /nfs/dbraw/zinc/32/14/34/742321434.db2.gz BPCIJTYNKKPVLI-GFCCVEGCSA-N 1 2 275.352 1.625 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)C)on1 ZINC001038566280 742321439 /nfs/dbraw/zinc/32/14/39/742321439.db2.gz BPCIJTYNKKPVLI-GFCCVEGCSA-N 1 2 275.352 1.625 20 30 CDEDLO CC(N=Nc1nccnc1Cl)c1ccc(N)[nH+]c1 ZINC000814850264 739243925 /nfs/dbraw/zinc/24/39/25/739243925.db2.gz GPKFDFKQQXPFQK-UHFFFAOYSA-N 1 2 262.704 1.943 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN(C)c1ccccc1 ZINC001018328142 739310442 /nfs/dbraw/zinc/31/04/42/739310442.db2.gz CSTJTDCFLPHSPM-CALCHBBNSA-N 1 2 297.402 1.431 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN(C)c1ccccc1 ZINC001018328142 739310446 /nfs/dbraw/zinc/31/04/46/739310446.db2.gz CSTJTDCFLPHSPM-CALCHBBNSA-N 1 2 297.402 1.431 20 30 CDEDLO C#CC[N@H+](CC(=O)N1CC(=O)Nc2ccccc21)C(C)C ZINC000932391377 739355869 /nfs/dbraw/zinc/35/58/69/739355869.db2.gz YLGDNJNXLUTNKA-UHFFFAOYSA-N 1 2 285.347 1.315 20 30 CDEDLO C#CC[N@@H+](CC(=O)N1CC(=O)Nc2ccccc21)C(C)C ZINC000932391377 739355874 /nfs/dbraw/zinc/35/58/74/739355874.db2.gz YLGDNJNXLUTNKA-UHFFFAOYSA-N 1 2 285.347 1.315 20 30 CDEDLO C[C@H]1C[C@H](NCC#N)CN1C(=O)c1cccc2[nH+]ccn21 ZINC000989187325 739358520 /nfs/dbraw/zinc/35/85/20/739358520.db2.gz ZUUWMUIMDIDNSK-RYUDHWBXSA-N 1 2 283.335 1.050 20 30 CDEDLO C#CCC[C@H](O)CNc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000828081512 739398123 /nfs/dbraw/zinc/39/81/23/739398123.db2.gz ZCMZGFQIDYPTCU-LBPRGKRZSA-N 1 2 284.363 1.882 20 30 CDEDLO C#CC[C@H](CCOC)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000859025626 739408836 /nfs/dbraw/zinc/40/88/36/739408836.db2.gz WIBSSPHREVQTET-CQSZACIVSA-N 1 2 292.383 1.343 20 30 CDEDLO CN(C)c1cc(COC(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC000782147638 739579199 /nfs/dbraw/zinc/57/91/99/739579199.db2.gz URSBVVYJUZXSSK-UHFFFAOYSA-N 1 2 270.292 1.704 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](CCC)C1 ZINC000884157841 739660087 /nfs/dbraw/zinc/66/00/87/739660087.db2.gz LERWXFNVJUHDQB-OLZOCXBDSA-N 1 2 282.384 1.472 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCOCC1 ZINC001050895169 739668586 /nfs/dbraw/zinc/66/85/86/739668586.db2.gz YWLJIIQFXCSQTE-CABCVRRESA-N 1 2 296.411 1.196 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCOCC1 ZINC001050895169 739668595 /nfs/dbraw/zinc/66/85/95/739668595.db2.gz YWLJIIQFXCSQTE-CABCVRRESA-N 1 2 296.411 1.196 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(=O)[nH]n2)C1 ZINC001032892324 739688772 /nfs/dbraw/zinc/68/87/72/739688772.db2.gz UNFJHOQTSUWRPW-SNVBAGLBSA-N 1 2 296.758 1.081 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(=O)[nH]n2)C1 ZINC001032892324 739688780 /nfs/dbraw/zinc/68/87/80/739688780.db2.gz UNFJHOQTSUWRPW-SNVBAGLBSA-N 1 2 296.758 1.081 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cnn(C3CCC3)c2)nn1 ZINC000922197501 739730609 /nfs/dbraw/zinc/73/06/09/739730609.db2.gz DZLDDSVSUFGBKA-UHFFFAOYSA-N 1 2 272.356 1.675 20 30 CDEDLO C#CC[N@@H+](Cc1nnc2c(=O)n(C)ccn12)C1CCCCC1 ZINC000878001693 739732640 /nfs/dbraw/zinc/73/26/40/739732640.db2.gz YLBFJTBYOJIFKD-UHFFFAOYSA-N 1 2 299.378 1.196 20 30 CDEDLO C#CC[N@H+](Cc1nnc2c(=O)n(C)ccn12)C1CCCCC1 ZINC000878001693 739732648 /nfs/dbraw/zinc/73/26/48/739732648.db2.gz YLBFJTBYOJIFKD-UHFFFAOYSA-N 1 2 299.378 1.196 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2ccccc2c(=O)o1 ZINC001038300544 739754011 /nfs/dbraw/zinc/75/40/11/739754011.db2.gz MMJBDGZFNBJBBT-ZDUSSCGKSA-N 1 2 296.326 1.230 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2ccccc2c(=O)o1 ZINC001038300544 739754015 /nfs/dbraw/zinc/75/40/15/739754015.db2.gz MMJBDGZFNBJBBT-ZDUSSCGKSA-N 1 2 296.326 1.230 20 30 CDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1COCC[N@H+]1CC ZINC001051153079 739786267 /nfs/dbraw/zinc/78/62/67/739786267.db2.gz QBCMIDUDQFFEQG-ILXRZTDVSA-N 1 2 296.411 1.195 20 30 CDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CC ZINC001051153079 739786272 /nfs/dbraw/zinc/78/62/72/739786272.db2.gz QBCMIDUDQFFEQG-ILXRZTDVSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@@H](Cn1cc[nH+]c1)C(=O)OC ZINC000788605053 739792232 /nfs/dbraw/zinc/79/22/32/739792232.db2.gz PEFXXOJQFXPJLO-ZDUSSCGKSA-N 1 2 291.351 1.309 20 30 CDEDLO N#Cc1c2c(cn(C[N@@H+]3CC[C@@H]4C[C@@H]4C3)c1=O)CCC2 ZINC000853575772 739840427 /nfs/dbraw/zinc/84/04/27/739840427.db2.gz JULLGLREMHNXNE-DGCLKSJQSA-N 1 2 269.348 1.508 20 30 CDEDLO N#Cc1c2c(cn(C[N@H+]3CC[C@@H]4C[C@@H]4C3)c1=O)CCC2 ZINC000853575772 739840428 /nfs/dbraw/zinc/84/04/28/739840428.db2.gz JULLGLREMHNXNE-DGCLKSJQSA-N 1 2 269.348 1.508 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)C2(C)CC(F)(F)C2)C1 ZINC001044170050 739852047 /nfs/dbraw/zinc/85/20/47/739852047.db2.gz FVVFZYUSXCLIQS-UHFFFAOYSA-N 1 2 270.323 1.588 20 30 CDEDLO C=C(Br)C[N@H+]1CCC[C@@H](NC(C)=O)[C@H]1C ZINC000992927722 739909118 /nfs/dbraw/zinc/90/91/18/739909118.db2.gz XUZFQDYOZNZMHW-MWLCHTKSSA-N 1 2 275.190 1.884 20 30 CDEDLO C=C(Br)C[N@@H+]1CCC[C@@H](NC(C)=O)[C@H]1C ZINC000992927722 739909122 /nfs/dbraw/zinc/90/91/22/739909122.db2.gz XUZFQDYOZNZMHW-MWLCHTKSSA-N 1 2 275.190 1.884 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(F)cc2)C1 ZINC001035266478 739899949 /nfs/dbraw/zinc/89/99/49/739899949.db2.gz KKIJLSLMEVASPU-OAHLLOKOSA-N 1 2 292.354 1.832 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(F)cc2)C1 ZINC001035266478 739899951 /nfs/dbraw/zinc/89/99/51/739899951.db2.gz KKIJLSLMEVASPU-OAHLLOKOSA-N 1 2 292.354 1.832 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)nn2C)C1 ZINC001010343447 739916626 /nfs/dbraw/zinc/91/66/26/739916626.db2.gz VVVOQVZVPJNNPU-NSHDSACASA-N 1 2 282.775 1.285 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)nn2C)C1 ZINC001010343447 739916635 /nfs/dbraw/zinc/91/66/35/739916635.db2.gz VVVOQVZVPJNNPU-NSHDSACASA-N 1 2 282.775 1.285 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC001038749280 740078161 /nfs/dbraw/zinc/07/81/61/740078161.db2.gz BJPSAQDSTNIJFA-OAHLLOKOSA-N 1 2 281.359 1.995 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC001038749280 740078166 /nfs/dbraw/zinc/07/81/66/740078166.db2.gz BJPSAQDSTNIJFA-OAHLLOKOSA-N 1 2 281.359 1.995 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(CCC)nc1C ZINC001038855706 740088531 /nfs/dbraw/zinc/08/85/31/740088531.db2.gz RWDWVTYGDRGRNK-CQSZACIVSA-N 1 2 288.395 1.429 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(CCC)nc1C ZINC001038855706 740088535 /nfs/dbraw/zinc/08/85/35/740088535.db2.gz RWDWVTYGDRGRNK-CQSZACIVSA-N 1 2 288.395 1.429 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(C)C)n(C)n1 ZINC001032396609 740112673 /nfs/dbraw/zinc/11/26/73/740112673.db2.gz AHELFNGRMQUKRW-STQMWFEESA-N 1 2 286.379 1.075 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(C)C)n(C)n1 ZINC001032396609 740112685 /nfs/dbraw/zinc/11/26/85/740112685.db2.gz AHELFNGRMQUKRW-STQMWFEESA-N 1 2 286.379 1.075 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2[nH]cnc2CC)C1 ZINC001033627200 740113056 /nfs/dbraw/zinc/11/30/56/740113056.db2.gz JQBUUAGHPOVHPL-LLVKDONJSA-N 1 2 296.802 1.871 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2[nH]cnc2CC)C1 ZINC001033627200 740113066 /nfs/dbraw/zinc/11/30/66/740113066.db2.gz JQBUUAGHPOVHPL-LLVKDONJSA-N 1 2 296.802 1.871 20 30 CDEDLO C#Cc1cncc(C(=O)NCC[NH+]2Cc3ccccc3C2)c1 ZINC000806669400 740194025 /nfs/dbraw/zinc/19/40/25/740194025.db2.gz DYSDFVIPGHKMOO-UHFFFAOYSA-N 1 2 291.354 1.809 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001046543688 740251639 /nfs/dbraw/zinc/25/16/39/740251639.db2.gz IUAMDDNYBCSQDX-XWIASGKRSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001046543688 740251653 /nfs/dbraw/zinc/25/16/53/740251653.db2.gz IUAMDDNYBCSQDX-XWIASGKRSA-N 1 2 256.777 1.976 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(OC)cc2C)C1 ZINC001043719265 740276857 /nfs/dbraw/zinc/27/68/57/740276857.db2.gz RHUOQDQQHGNBNS-UHFFFAOYSA-N 1 2 286.375 1.783 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cncs2)[C@H]1C ZINC000993101435 740334801 /nfs/dbraw/zinc/33/48/01/740334801.db2.gz BDWBJPLPCAPFNV-GHMZBOCLSA-N 1 2 263.366 1.359 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cncs2)[C@H]1C ZINC000993101435 740334805 /nfs/dbraw/zinc/33/48/05/740334805.db2.gz BDWBJPLPCAPFNV-GHMZBOCLSA-N 1 2 263.366 1.359 20 30 CDEDLO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnon1 ZINC001054058031 740347157 /nfs/dbraw/zinc/34/71/57/740347157.db2.gz WCGLROILRTZTFG-CQSZACIVSA-N 1 2 298.346 1.412 20 30 CDEDLO C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnon1 ZINC001054058031 740347164 /nfs/dbraw/zinc/34/71/64/740347164.db2.gz WCGLROILRTZTFG-CQSZACIVSA-N 1 2 298.346 1.412 20 30 CDEDLO C=C1CC(C)(C(=O)NC2C[NH+](C[C@@H]3CC[C@H](C)O3)C2)C1 ZINC001030924682 740385211 /nfs/dbraw/zinc/38/52/11/740385211.db2.gz WRMINXMJMCCQFN-JSGCOSHPSA-N 1 2 278.396 1.711 20 30 CDEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2[nH]nc(C3CC3)c2Cl)C1 ZINC001015094982 740390610 /nfs/dbraw/zinc/39/06/10/740390610.db2.gz VNPVKYMVCZCBHU-JTQLQIEISA-N 1 2 294.786 1.931 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc(C3CC3)c2Cl)C1 ZINC001015094982 740390615 /nfs/dbraw/zinc/39/06/15/740390615.db2.gz VNPVKYMVCZCBHU-JTQLQIEISA-N 1 2 294.786 1.931 20 30 CDEDLO C=CC[C@H]([NH2+][C@@H](COC)[C@@H]1CCCOC1)C(=O)OC ZINC000886917897 740391803 /nfs/dbraw/zinc/39/18/03/740391803.db2.gz MZMRVSDZFVXKEV-AGIUHOORSA-N 1 2 271.357 1.135 20 30 CDEDLO C[NH+]1CCC(C#N)(NC(=O)c2cccc(Cl)c2O)CC1 ZINC000775724886 740464462 /nfs/dbraw/zinc/46/44/62/740464462.db2.gz JVBNGNRNTLXHBG-UHFFFAOYSA-N 1 2 293.754 1.763 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)nc1C1CC1 ZINC001038568426 740474788 /nfs/dbraw/zinc/47/47/88/740474788.db2.gz ZKWJZGDGFHQEKB-CQSZACIVSA-N 1 2 283.375 1.705 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)nc1C1CC1 ZINC001038568426 740474800 /nfs/dbraw/zinc/47/48/00/740474800.db2.gz ZKWJZGDGFHQEKB-CQSZACIVSA-N 1 2 283.375 1.705 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCO[C@H]2C)C1 ZINC001044091001 740527402 /nfs/dbraw/zinc/52/74/02/740527402.db2.gz HJTFWOMGRAVIFO-AAEUAGOBSA-N 1 2 252.358 1.130 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cn3cc(C)ccc3n2)C1 ZINC001030522018 740542849 /nfs/dbraw/zinc/54/28/49/740542849.db2.gz PXMCVEZYDVLAJB-UHFFFAOYSA-N 1 2 282.347 1.080 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cc(C)nc1C ZINC001032531518 740564610 /nfs/dbraw/zinc/56/46/10/740564610.db2.gz UDNSECVVCXNOBV-HOTGVXAUSA-N 1 2 297.402 1.929 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cc(C)nc1C ZINC001032531518 740564619 /nfs/dbraw/zinc/56/46/19/740564619.db2.gz UDNSECVVCXNOBV-HOTGVXAUSA-N 1 2 297.402 1.929 20 30 CDEDLO C#CCOc1ccccc1C=NNc1[nH+]ccn1C ZINC000790300469 740593554 /nfs/dbraw/zinc/59/35/54/740593554.db2.gz UEOVLGLNKPYDQO-UHFFFAOYSA-N 1 2 254.293 1.878 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000782443798 740729915 /nfs/dbraw/zinc/72/99/15/740729915.db2.gz QGAAWZSSCZEDHN-IJEWVQPXSA-N 1 2 297.395 1.622 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000782443798 740729917 /nfs/dbraw/zinc/72/99/17/740729917.db2.gz QGAAWZSSCZEDHN-IJEWVQPXSA-N 1 2 297.395 1.622 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc[nH]1)CCO2 ZINC001053156327 740742446 /nfs/dbraw/zinc/74/24/46/740742446.db2.gz YQMLRFQPBJUSKL-UHFFFAOYSA-N 1 2 275.352 1.118 20 30 CDEDLO CC[C@@H](OC)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004366115 740782776 /nfs/dbraw/zinc/78/27/76/740782776.db2.gz ANJXDKCJMUBVOI-LSDHHAIUSA-N 1 2 293.411 1.638 20 30 CDEDLO CC[C@@H](OC)C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004366115 740782780 /nfs/dbraw/zinc/78/27/80/740782780.db2.gz ANJXDKCJMUBVOI-LSDHHAIUSA-N 1 2 293.411 1.638 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc[nH]c2)C1 ZINC001031690709 740814661 /nfs/dbraw/zinc/81/46/61/740814661.db2.gz WZFRSQOZKAHREI-UHFFFAOYSA-N 1 2 253.733 1.429 20 30 CDEDLO Cc1[nH+]c(C(C)N=Nc2ncnc3c2cnn3C)cn1C ZINC000800810822 740849996 /nfs/dbraw/zinc/84/99/96/740849996.db2.gz WDWICOGGCSBJEI-UHFFFAOYSA-N 1 2 284.327 1.241 20 30 CDEDLO C=COc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000819491106 740862696 /nfs/dbraw/zinc/86/26/96/740862696.db2.gz XAPXSLQJLSQAHS-AWEZNQCLSA-N 1 2 275.352 1.827 20 30 CDEDLO C=COc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000819491106 740862698 /nfs/dbraw/zinc/86/26/98/740862698.db2.gz XAPXSLQJLSQAHS-AWEZNQCLSA-N 1 2 275.352 1.827 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2coc(SC)c2)CC1 ZINC000865085236 740867088 /nfs/dbraw/zinc/86/70/88/740867088.db2.gz LORGXGWPLWPKKU-UHFFFAOYSA-N 1 2 278.377 1.783 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2CCO[C@@H](CC)C2)C1 ZINC001044155343 741028259 /nfs/dbraw/zinc/02/82/59/741028259.db2.gz FMKAPUHFYIKCDZ-ZFWWWQNUSA-N 1 2 280.412 1.910 20 30 CDEDLO N#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccn2)[nH]1 ZINC001038167415 741028771 /nfs/dbraw/zinc/02/87/71/741028771.db2.gz GLTOMQWNBPBAKF-CQSZACIVSA-N 1 2 295.346 1.286 20 30 CDEDLO N#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccn2)[nH]1 ZINC001038167415 741028772 /nfs/dbraw/zinc/02/87/72/741028772.db2.gz GLTOMQWNBPBAKF-CQSZACIVSA-N 1 2 295.346 1.286 20 30 CDEDLO Cn1c[nH+]cc1CN=Nc1nc(-c2cccnc2)no1 ZINC000814949208 741034774 /nfs/dbraw/zinc/03/47/74/741034774.db2.gz CLHJDSQZBZDOBG-UHFFFAOYSA-N 1 2 269.268 1.311 20 30 CDEDLO Cc1cc(F)cc2c1C[N@H+](CC(=O)NCCC#N)CC2 ZINC000800472351 741044061 /nfs/dbraw/zinc/04/40/61/741044061.db2.gz MGUCRLHNSNLZEE-UHFFFAOYSA-N 1 2 275.327 1.522 20 30 CDEDLO Cc1cc(F)cc2c1C[N@@H+](CC(=O)NCCC#N)CC2 ZINC000800472351 741044065 /nfs/dbraw/zinc/04/40/65/741044065.db2.gz MGUCRLHNSNLZEE-UHFFFAOYSA-N 1 2 275.327 1.522 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC(OCC)C2)C1 ZINC001010816296 741056362 /nfs/dbraw/zinc/05/63/62/741056362.db2.gz MVLJLOXFNFWHBA-OTTFEQOBSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC(OCC)C2)C1 ZINC001010816296 741056367 /nfs/dbraw/zinc/05/63/67/741056367.db2.gz MVLJLOXFNFWHBA-OTTFEQOBSA-N 1 2 286.803 1.745 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2onc(CC)c2c1 ZINC001039054940 741093918 /nfs/dbraw/zinc/09/39/18/741093918.db2.gz OPXCXOVTGACKHJ-LBPRGKRZSA-N 1 2 298.346 1.223 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2onc(CC)c2c1 ZINC001039054940 741093923 /nfs/dbraw/zinc/09/39/23/741093923.db2.gz OPXCXOVTGACKHJ-LBPRGKRZSA-N 1 2 298.346 1.223 20 30 CDEDLO N#CCNC1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001026527336 741094253 /nfs/dbraw/zinc/09/42/53/741094253.db2.gz KPRBVMWHMCTSBA-UHFFFAOYSA-N 1 2 297.362 1.488 20 30 CDEDLO C#CCOc1cccc(NC(=O)Cc2c[nH+]cn2C)c1 ZINC000776650658 741102573 /nfs/dbraw/zinc/10/25/73/741102573.db2.gz YZIAUQQMQOSOAT-UHFFFAOYSA-N 1 2 269.304 1.613 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](COC)OC ZINC000853474784 741151547 /nfs/dbraw/zinc/15/15/47/741151547.db2.gz PDZWWYKFMKIOKW-ZDUSSCGKSA-N 1 2 278.352 1.947 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c2ncccc12 ZINC001018276343 741191733 /nfs/dbraw/zinc/19/17/33/741191733.db2.gz ALXAJUHAUKZDQS-BETUJISGSA-N 1 2 294.358 1.485 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c2ncccc12 ZINC001018276343 741191744 /nfs/dbraw/zinc/19/17/44/741191744.db2.gz ALXAJUHAUKZDQS-BETUJISGSA-N 1 2 294.358 1.485 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cccc(OC)c2)C1 ZINC001031341261 741258074 /nfs/dbraw/zinc/25/80/74/741258074.db2.gz IGMJCIMPZSQTTM-UHFFFAOYSA-N 1 2 274.364 1.614 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1ncc(C2OCCO2)s1)[C@H]1CCCO1 ZINC000809642249 741268264 /nfs/dbraw/zinc/26/82/64/741268264.db2.gz FAWDXFDMIRKCRK-GHMZBOCLSA-N 1 2 294.376 1.459 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](C[C@@H](O)CC2(O)CCCCC2)C1 ZINC000932149870 741288775 /nfs/dbraw/zinc/28/87/75/741288775.db2.gz MGACKWROVMNVAJ-KGLIPLIRSA-N 1 2 266.385 1.668 20 30 CDEDLO N#C[C@H]1CCC[N@H+](C[C@@H](O)CC2(O)CCCCC2)C1 ZINC000932149870 741288779 /nfs/dbraw/zinc/28/87/79/741288779.db2.gz MGACKWROVMNVAJ-KGLIPLIRSA-N 1 2 266.385 1.668 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001035501995 741310426 /nfs/dbraw/zinc/31/04/26/741310426.db2.gz MTTGYGLNROZQQS-OAHLLOKOSA-N 1 2 299.374 1.785 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001035501995 741310430 /nfs/dbraw/zinc/31/04/30/741310430.db2.gz MTTGYGLNROZQQS-OAHLLOKOSA-N 1 2 299.374 1.785 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccccc1C(N)=O ZINC000846987671 741362727 /nfs/dbraw/zinc/36/27/27/741362727.db2.gz OAEXSFPWICPJOQ-SNVBAGLBSA-N 1 2 274.324 1.006 20 30 CDEDLO C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(F)C(F)(F)F ZINC001032416402 741372654 /nfs/dbraw/zinc/37/26/54/741372654.db2.gz DXFLAXDEUQWBOB-LPEHRKFASA-N 1 2 280.265 1.748 20 30 CDEDLO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(F)C(F)(F)F ZINC001032416402 741372658 /nfs/dbraw/zinc/37/26/58/741372658.db2.gz DXFLAXDEUQWBOB-LPEHRKFASA-N 1 2 280.265 1.748 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2c3c[nH]nc3CC[C@@H]2C)C1 ZINC001043387020 741375140 /nfs/dbraw/zinc/37/51/40/741375140.db2.gz UTQZMGPUIBWTMH-NHYWBVRUSA-N 1 2 288.395 1.404 20 30 CDEDLO Nc1ncc(C=[NH+]NCc2ccccc2Cl)cn1 ZINC000781589309 741418707 /nfs/dbraw/zinc/41/87/07/741418707.db2.gz HRWDDRDSBGIHKD-UHFFFAOYSA-N 1 2 261.716 1.836 20 30 CDEDLO C=CCONC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000838706093 741423164 /nfs/dbraw/zinc/42/31/64/741423164.db2.gz LAHVPWFRTGVSHD-UHFFFAOYSA-N 1 2 274.324 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cnns2)CC1 ZINC001000477640 741504809 /nfs/dbraw/zinc/50/48/09/741504809.db2.gz XSBNNXMYHRASNS-UHFFFAOYSA-N 1 2 298.799 1.653 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cnns2)CC1 ZINC001000477640 741504817 /nfs/dbraw/zinc/50/48/17/741504817.db2.gz XSBNNXMYHRASNS-UHFFFAOYSA-N 1 2 298.799 1.653 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCO[C@H](C)C2)C1 ZINC001032075231 741525040 /nfs/dbraw/zinc/52/50/40/741525040.db2.gz ITZZFCSCVYAEHD-DGCLKSJQSA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2CCOC[C@@H]2OCC)C1 ZINC001030693580 741567138 /nfs/dbraw/zinc/56/71/38/741567138.db2.gz PLCMJXOHLPKODI-ZFWWWQNUSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001042751318 741582919 /nfs/dbraw/zinc/58/29/19/741582919.db2.gz YQBNHZDJYYXZTC-VNHYZAJKSA-N 1 2 260.381 1.917 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCN(C)[C@H](CO)C1 ZINC000931402972 741598082 /nfs/dbraw/zinc/59/80/82/741598082.db2.gz YRXXLOORBNWEKE-WFASDCNBSA-N 1 2 259.353 1.228 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCN(C)[C@H](CO)C1 ZINC000931402972 741598088 /nfs/dbraw/zinc/59/80/88/741598088.db2.gz YRXXLOORBNWEKE-WFASDCNBSA-N 1 2 259.353 1.228 20 30 CDEDLO C=CCn1cc(C(=O)Nc2ccc(C)[nH+]c2N(C)C)nn1 ZINC000843568278 741758680 /nfs/dbraw/zinc/75/86/80/741758680.db2.gz UKZHYWXRCYGLRO-UHFFFAOYSA-N 1 2 286.339 1.486 20 30 CDEDLO C#CC[NH2+][C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC000999206641 741782390 /nfs/dbraw/zinc/78/23/90/741782390.db2.gz GFZKNAPXUYXZOE-DTWKUNHWSA-N 1 2 266.238 1.101 20 30 CDEDLO C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000999206641 741782397 /nfs/dbraw/zinc/78/23/97/741782397.db2.gz GFZKNAPXUYXZOE-DTWKUNHWSA-N 1 2 266.238 1.101 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2OCc3ccccc32)C1 ZINC001031324095 741870222 /nfs/dbraw/zinc/87/02/22/741870222.db2.gz ALFLMQMCXNCYFF-INIZCTEOSA-N 1 2 284.359 1.472 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccsc1 ZINC001017620509 741872315 /nfs/dbraw/zinc/87/23/15/741872315.db2.gz NKUVBDDUHPXTEY-GASCZTMLSA-N 1 2 288.416 1.989 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccsc1 ZINC001017620509 741872320 /nfs/dbraw/zinc/87/23/20/741872320.db2.gz NKUVBDDUHPXTEY-GASCZTMLSA-N 1 2 288.416 1.989 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cn(C)nc2C(F)F)C1 ZINC001042944130 741895152 /nfs/dbraw/zinc/89/51/52/741895152.db2.gz LHBQOMGCWILJPI-UHFFFAOYSA-N 1 2 296.321 1.137 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C#C)cc1 ZINC001038577571 741920750 /nfs/dbraw/zinc/92/07/50/741920750.db2.gz ADDNLLDOTJZPPN-HNNXBMFYSA-N 1 2 252.317 1.105 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C#C)cc1 ZINC001038577571 741920759 /nfs/dbraw/zinc/92/07/59/741920759.db2.gz ADDNLLDOTJZPPN-HNNXBMFYSA-N 1 2 252.317 1.105 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1cccc(C)c1 ZINC000884076932 741940132 /nfs/dbraw/zinc/94/01/32/741940132.db2.gz SZTVHLCHOLANHP-AWEZNQCLSA-N 1 2 290.363 1.400 20 30 CDEDLO CC(C)(C#N)CS(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000777819857 741985956 /nfs/dbraw/zinc/98/59/56/741985956.db2.gz UATZIXVNOVAGJQ-UHFFFAOYSA-N 1 2 296.396 1.400 20 30 CDEDLO OC[C@H](NN=Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000788462718 742011210 /nfs/dbraw/zinc/01/12/10/742011210.db2.gz YVGJEVHFCNXMMY-HNNXBMFYSA-N 1 2 280.331 1.991 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cc1cnn(C)c1Cl ZINC000827826877 742046827 /nfs/dbraw/zinc/04/68/27/742046827.db2.gz MJABVVFUHMMSLI-UHFFFAOYSA-N 1 2 255.749 1.545 20 30 CDEDLO C#CCC[N@H+](CCOC)Cc1cnn(C)c1Cl ZINC000827826877 742046832 /nfs/dbraw/zinc/04/68/32/742046832.db2.gz MJABVVFUHMMSLI-UHFFFAOYSA-N 1 2 255.749 1.545 20 30 CDEDLO O=C(C#CC1CC1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000837370812 742046855 /nfs/dbraw/zinc/04/68/55/742046855.db2.gz WYJPQBVUPFNYSG-UHFFFAOYSA-N 1 2 265.316 1.902 20 30 CDEDLO C[C@@H](C#N)OCC[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000801911210 742052570 /nfs/dbraw/zinc/05/25/70/742052570.db2.gz VRDQHRHPLSEANT-LBPRGKRZSA-N 1 2 267.373 1.105 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cocn3)C[C@H]21 ZINC001041972947 742062788 /nfs/dbraw/zinc/06/27/88/742062788.db2.gz QGQYJGQACGMMIN-WCQYABFASA-N 1 2 295.770 1.964 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3cocn3)C[C@H]21 ZINC001041972947 742062793 /nfs/dbraw/zinc/06/27/93/742062793.db2.gz QGQYJGQACGMMIN-WCQYABFASA-N 1 2 295.770 1.964 20 30 CDEDLO CN(Cc1cc(C#N)cs1)C(=O)CCc1c[nH+]cn1C ZINC000887968459 742098849 /nfs/dbraw/zinc/09/88/49/742098849.db2.gz LVXGPRZSYQRKOU-UHFFFAOYSA-N 1 2 288.376 1.944 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2occ3c2CCOC3)C1 ZINC001043473201 742150344 /nfs/dbraw/zinc/15/03/44/742150344.db2.gz XWBPPRKEBVQEKN-UHFFFAOYSA-N 1 2 288.347 1.132 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)[C@@H](F)Cc2ccccc2)CC1 ZINC000778255766 742314163 /nfs/dbraw/zinc/31/41/63/742314163.db2.gz FWCYBRKPSHMBPJ-INIZCTEOSA-N 1 2 288.366 1.735 20 30 CDEDLO COC(=O)c1cccc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c1C#N ZINC000782604124 742326729 /nfs/dbraw/zinc/32/67/29/742326729.db2.gz AEODSFIRSNYZEV-BLLLJJGKSA-N 1 2 286.331 1.159 20 30 CDEDLO COC(=O)c1cccc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c1C#N ZINC000782604124 742326738 /nfs/dbraw/zinc/32/67/38/742326738.db2.gz AEODSFIRSNYZEV-BLLLJJGKSA-N 1 2 286.331 1.159 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csnc1C ZINC001032365443 742361542 /nfs/dbraw/zinc/36/15/42/742361542.db2.gz YLUSCSMEXJVKIU-QWRGUYRKSA-N 1 2 263.366 1.536 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csnc1C ZINC001032365443 742361548 /nfs/dbraw/zinc/36/15/48/742361548.db2.gz YLUSCSMEXJVKIU-QWRGUYRKSA-N 1 2 263.366 1.536 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1oc(CC)nc1C ZINC001032714746 742467861 /nfs/dbraw/zinc/46/78/61/742467861.db2.gz DQTUWKPSFDQQPE-STQMWFEESA-N 1 2 287.363 1.467 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1oc(CC)nc1C ZINC001032714746 742467865 /nfs/dbraw/zinc/46/78/65/742467865.db2.gz DQTUWKPSFDQQPE-STQMWFEESA-N 1 2 287.363 1.467 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(OC)c(F)c2)C1 ZINC001030471577 742475931 /nfs/dbraw/zinc/47/59/31/742475931.db2.gz ANGOHZCZQRMHLR-UHFFFAOYSA-N 1 2 278.327 1.824 20 30 CDEDLO C=CC[NH+]1CC(CNC(=O)c2n[nH]nc2-c2ccccc2)C1 ZINC001032210487 742510867 /nfs/dbraw/zinc/51/08/67/742510867.db2.gz ISNQNMKYHAHRHD-UHFFFAOYSA-N 1 2 297.362 1.319 20 30 CDEDLO C#Cc1ccc(C[NH2+][C@H](C)c2nnnn2C2CC2)cc1 ZINC000809653072 742525300 /nfs/dbraw/zinc/52/53/00/742525300.db2.gz RQFOZKXDBNPLML-LLVKDONJSA-N 1 2 267.336 1.840 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC(F)(F)C1 ZINC001038693349 742550516 /nfs/dbraw/zinc/55/05/16/742550516.db2.gz CNXORLQGPYOJFM-VXGBXAGGSA-N 1 2 270.323 1.636 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC(F)(F)C1 ZINC001038693349 742550520 /nfs/dbraw/zinc/55/05/20/742550520.db2.gz CNXORLQGPYOJFM-VXGBXAGGSA-N 1 2 270.323 1.636 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 ZINC001074236042 742568509 /nfs/dbraw/zinc/56/85/09/742568509.db2.gz LKBDZLWJPWGINM-HOTGVXAUSA-N 1 2 288.391 1.278 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 ZINC001074236042 742568517 /nfs/dbraw/zinc/56/85/17/742568517.db2.gz LKBDZLWJPWGINM-HOTGVXAUSA-N 1 2 288.391 1.278 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cn(C)cn2)CC1 ZINC001000580181 742612922 /nfs/dbraw/zinc/61/29/22/742612922.db2.gz NJSOQOURSQEMDQ-UHFFFAOYSA-N 1 2 294.786 1.535 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cn(C)cn2)CC1 ZINC001000580181 742612923 /nfs/dbraw/zinc/61/29/23/742612923.db2.gz NJSOQOURSQEMDQ-UHFFFAOYSA-N 1 2 294.786 1.535 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)ns2)C1 ZINC001033087722 742631742 /nfs/dbraw/zinc/63/17/42/742631742.db2.gz ZEBBGDXNCWTOSM-LLVKDONJSA-N 1 2 293.392 1.321 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)ns2)C1 ZINC001033087722 742631756 /nfs/dbraw/zinc/63/17/56/742631756.db2.gz ZEBBGDXNCWTOSM-LLVKDONJSA-N 1 2 293.392 1.321 20 30 CDEDLO CC(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032283243 742640495 /nfs/dbraw/zinc/64/04/95/742640495.db2.gz UPTZDUWMFNRNIK-HOTGVXAUSA-N 1 2 283.375 1.999 20 30 CDEDLO CC(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032283243 742640502 /nfs/dbraw/zinc/64/05/02/742640502.db2.gz UPTZDUWMFNRNIK-HOTGVXAUSA-N 1 2 283.375 1.999 20 30 CDEDLO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]cc2ncnc1-2 ZINC001027898548 742647292 /nfs/dbraw/zinc/64/72/92/742647292.db2.gz DTQOYPBEOISVPH-LBPRGKRZSA-N 1 2 299.378 1.728 20 30 CDEDLO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]cc2ncnc1-2 ZINC001027898548 742647297 /nfs/dbraw/zinc/64/72/97/742647297.db2.gz DTQOYPBEOISVPH-LBPRGKRZSA-N 1 2 299.378 1.728 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2ccon2)C1 ZINC001032960580 742672248 /nfs/dbraw/zinc/67/22/48/742672248.db2.gz XFPOEFRBXLSMSI-LBPRGKRZSA-N 1 2 283.759 1.502 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccon2)C1 ZINC001032960580 742672261 /nfs/dbraw/zinc/67/22/61/742672261.db2.gz XFPOEFRBXLSMSI-LBPRGKRZSA-N 1 2 283.759 1.502 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C/C=C\Cl ZINC001032637860 742709459 /nfs/dbraw/zinc/70/94/59/742709459.db2.gz YPZRJVIAQMYWDS-LIFOOXLRSA-N 1 2 296.798 1.615 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C\Cl ZINC001032637860 742709484 /nfs/dbraw/zinc/70/94/84/742709484.db2.gz YPZRJVIAQMYWDS-LIFOOXLRSA-N 1 2 296.798 1.615 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)c2ccsc2)C1 ZINC001030942281 742740844 /nfs/dbraw/zinc/74/08/44/742740844.db2.gz KCPMLCIPQMUXFF-LLVKDONJSA-N 1 2 262.378 1.675 20 30 CDEDLO Cc1conc1C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)C#N ZINC000960503174 742754976 /nfs/dbraw/zinc/75/49/76/742754976.db2.gz PMLYXKUUQNGIFR-WCQYABFASA-N 1 2 290.367 1.566 20 30 CDEDLO Cc1conc1C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)C#N ZINC000960503174 742754981 /nfs/dbraw/zinc/75/49/81/742754981.db2.gz PMLYXKUUQNGIFR-WCQYABFASA-N 1 2 290.367 1.566 20 30 CDEDLO CCN(C(=O)c1cccc2[nH+]ccn21)[C@@H]1CCN(CC#N)C1 ZINC001033898193 742764985 /nfs/dbraw/zinc/76/49/85/742764985.db2.gz UCUGIVMNRAFWPO-CYBMUJFWSA-N 1 2 297.362 1.394 20 30 CDEDLO Cn1cc[nH+]c1NN=Cc1ccc(-n2cncn2)c(F)c1 ZINC000790306474 742780414 /nfs/dbraw/zinc/78/04/14/742780414.db2.gz YYEPJUHNVQRPEC-UHFFFAOYSA-N 1 2 285.286 1.586 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852435230 742803763 /nfs/dbraw/zinc/80/37/63/742803763.db2.gz KNWLVRYIWFPHSM-AWEZNQCLSA-N 1 2 289.310 1.724 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852435230 742803764 /nfs/dbraw/zinc/80/37/64/742803764.db2.gz KNWLVRYIWFPHSM-AWEZNQCLSA-N 1 2 289.310 1.724 20 30 CDEDLO C=CCCC(=O)NCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001075888209 742805228 /nfs/dbraw/zinc/80/52/28/742805228.db2.gz XKPHPBFSUMUNKF-LBPRGKRZSA-N 1 2 292.383 1.320 20 30 CDEDLO C=CCCC(=O)NCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001075888209 742805230 /nfs/dbraw/zinc/80/52/30/742805230.db2.gz XKPHPBFSUMUNKF-LBPRGKRZSA-N 1 2 292.383 1.320 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C1CC1)C1CCCCC1 ZINC000884082040 742805461 /nfs/dbraw/zinc/80/54/61/742805461.db2.gz SLDLILSKJCZLHJ-AWEZNQCLSA-N 1 2 294.395 1.757 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1Cc2c(cccc2C)O1 ZINC001032734932 742815318 /nfs/dbraw/zinc/81/53/18/742815318.db2.gz KLRNPDZDZGVCFZ-GRDNDAEWSA-N 1 2 296.370 1.217 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1Cc2c(cccc2C)O1 ZINC001032734932 742815322 /nfs/dbraw/zinc/81/53/22/742815322.db2.gz KLRNPDZDZGVCFZ-GRDNDAEWSA-N 1 2 296.370 1.217 20 30 CDEDLO C#Cc1ccc(NC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc1 ZINC000934918878 742816066 /nfs/dbraw/zinc/81/60/66/742816066.db2.gz PTIDCUXVQBIJKB-ZDUSSCGKSA-N 1 2 287.363 1.510 20 30 CDEDLO C#Cc1ccc(NC(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc1 ZINC000934918878 742816067 /nfs/dbraw/zinc/81/60/67/742816067.db2.gz PTIDCUXVQBIJKB-ZDUSSCGKSA-N 1 2 287.363 1.510 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnc3n2CCC3)C1 ZINC001042958681 742822911 /nfs/dbraw/zinc/82/29/11/742822911.db2.gz JCBWTMQFYHZJCS-UHFFFAOYSA-N 1 2 274.368 1.162 20 30 CDEDLO C#CCN(C1CCCC1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000881983438 742823056 /nfs/dbraw/zinc/82/30/56/742823056.db2.gz DAISQBVAJNCUSZ-UHFFFAOYSA-N 1 2 281.381 1.091 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(F)F)nn1C ZINC001038506639 742824521 /nfs/dbraw/zinc/82/45/21/742824521.db2.gz ABQDQDJQLUEVTN-JTQLQIEISA-N 1 2 296.321 1.185 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(F)F)nn1C ZINC001038506639 742824522 /nfs/dbraw/zinc/82/45/22/742824522.db2.gz ABQDQDJQLUEVTN-JTQLQIEISA-N 1 2 296.321 1.185 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)n(CC)c1C ZINC001032505056 742827173 /nfs/dbraw/zinc/82/71/73/742827173.db2.gz FUMKDKMLBRWWQV-GJZGRUSLSA-N 1 2 285.391 1.657 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)n(CC)c1C ZINC001032505056 742827175 /nfs/dbraw/zinc/82/71/75/742827175.db2.gz FUMKDKMLBRWWQV-GJZGRUSLSA-N 1 2 285.391 1.657 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C)[C@@H]1CCC ZINC000884160996 742834236 /nfs/dbraw/zinc/83/42/36/742834236.db2.gz TZRHZFDROZXEAC-RDBSUJKOSA-N 1 2 296.411 1.860 20 30 CDEDLO Cc1nc([C@H](C)O[NH+]=C(N)c2ccc3c(c2)CCO3)no1 ZINC000842035672 742836381 /nfs/dbraw/zinc/83/63/81/742836381.db2.gz OJVSZHAZFFRRMU-QMMMGPOBSA-N 1 2 288.307 1.711 20 30 CDEDLO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1nc(N(C)C)no1 ZINC000877411207 1166032608 /nfs/dbraw/zinc/03/26/08/1166032608.db2.gz MAYKVBIMUKMBFL-LLVKDONJSA-N 1 2 293.371 1.324 20 30 CDEDLO C=CCOC1CCC([NH2+][C@@H](CS)C(=O)OCC)CC1 ZINC001173311762 912402942 /nfs/dbraw/zinc/40/29/42/912402942.db2.gz PUMHEWLDOXRWRX-BPCQOVAHSA-N 1 2 287.425 1.951 20 30 CDEDLO COC(=O)CCCC[C@@H](C)[NH2+][C@@H](CS)C(=O)OC ZINC001173437693 912530346 /nfs/dbraw/zinc/53/03/46/912530346.db2.gz OCKSQZLBBDELIG-ZJUUUORDSA-N 1 2 277.386 1.169 20 30 CDEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncs1)C2 ZINC001095215644 912618727 /nfs/dbraw/zinc/61/87/27/912618727.db2.gz RSULSIVSKRMFRM-WOPDTQHZSA-N 1 2 275.377 1.502 20 30 CDEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncs1)C2 ZINC001095215644 912618735 /nfs/dbraw/zinc/61/87/35/912618735.db2.gz RSULSIVSKRMFRM-WOPDTQHZSA-N 1 2 275.377 1.502 20 30 CDEDLO C#CC[NH2+]CCCC[C@@H](C)NC(=O)c1[nH]ncc1F ZINC001175133445 913472881 /nfs/dbraw/zinc/47/28/81/913472881.db2.gz AQPLOADTHYUDQT-SNVBAGLBSA-N 1 2 266.320 1.060 20 30 CDEDLO N#C[C@@H]1CC[N@H+](C[C@H]2COC3(CCCCC3)O2)C1 ZINC001208641074 894203019 /nfs/dbraw/zinc/20/30/19/894203019.db2.gz YDNFNHICTAQWDV-STQMWFEESA-N 1 2 250.342 1.908 20 30 CDEDLO N#C[C@@H]1CC[N@@H+](C[C@H]2COC3(CCCCC3)O2)C1 ZINC001208641074 894203039 /nfs/dbraw/zinc/20/30/39/894203039.db2.gz YDNFNHICTAQWDV-STQMWFEESA-N 1 2 250.342 1.908 20 30 CDEDLO C#CCO[C@H](C)C(=O)N[C@H](C)CCNc1cc[nH+]c(C)n1 ZINC001106441835 913931467 /nfs/dbraw/zinc/93/14/67/913931467.db2.gz GCEXFWISGPVZEU-VXGBXAGGSA-N 1 2 290.367 1.130 20 30 CDEDLO C=CCOCC(COCC=C)OCC[NH+]1CCOCC1 ZINC001210208109 895147662 /nfs/dbraw/zinc/14/76/62/895147662.db2.gz RHTIAVLGICZNLJ-UHFFFAOYSA-N 1 2 285.384 1.109 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001098212996 896113078 /nfs/dbraw/zinc/11/30/78/896113078.db2.gz AHKZHVHKGGJOIP-SNVBAGLBSA-N 1 2 262.357 1.914 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCc3ccccc3)[C@H]2C1 ZINC001083254695 897201419 /nfs/dbraw/zinc/20/14/19/897201419.db2.gz HSDZAJZRCMKQQQ-DLBZAZTESA-N 1 2 298.386 1.164 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3ccccc3)[C@H]2C1 ZINC001083254695 897201437 /nfs/dbraw/zinc/20/14/37/897201437.db2.gz HSDZAJZRCMKQQQ-DLBZAZTESA-N 1 2 298.386 1.164 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001038263965 897460141 /nfs/dbraw/zinc/46/01/41/897460141.db2.gz UDEXBELDLXJXOO-OLZOCXBDSA-N 1 2 286.379 1.043 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001038263965 897460147 /nfs/dbraw/zinc/46/01/47/897460147.db2.gz UDEXBELDLXJXOO-OLZOCXBDSA-N 1 2 286.379 1.043 20 30 CDEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)C(C)C)C[C@@H]21 ZINC001176911981 914388979 /nfs/dbraw/zinc/38/89/79/914388979.db2.gz FUDGBHCJVXXHRO-GJZGRUSLSA-N 1 2 296.411 1.147 20 30 CDEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)C)C[C@@H]21 ZINC001176911981 914388995 /nfs/dbraw/zinc/38/89/95/914388995.db2.gz FUDGBHCJVXXHRO-GJZGRUSLSA-N 1 2 296.411 1.147 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)COCC)C1 ZINC001481522951 901053074 /nfs/dbraw/zinc/05/30/74/901053074.db2.gz GDRUWLYQGCBQMN-LLVKDONJSA-N 1 2 260.765 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)COCC)C1 ZINC001481522951 901053087 /nfs/dbraw/zinc/05/30/87/901053087.db2.gz GDRUWLYQGCBQMN-LLVKDONJSA-N 1 2 260.765 1.356 20 30 CDEDLO C#CCCCC(=O)NCC[NH2+]Cc1nc(C(C)C)no1 ZINC001126331445 901525927 /nfs/dbraw/zinc/52/59/27/901525927.db2.gz ABYKHFDJPXQHOL-UHFFFAOYSA-N 1 2 278.356 1.202 20 30 CDEDLO N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177621211 914806422 /nfs/dbraw/zinc/80/64/22/914806422.db2.gz ZDRCTYQNXLSECJ-OBJOEFQTSA-N 1 2 291.326 1.707 20 30 CDEDLO N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC001177621211 914806437 /nfs/dbraw/zinc/80/64/37/914806437.db2.gz ZDRCTYQNXLSECJ-OBJOEFQTSA-N 1 2 291.326 1.707 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[NH2+]Cc1nonc1C ZINC001128242851 921223840 /nfs/dbraw/zinc/22/38/40/921223840.db2.gz XUPAITLNCWAQKP-UHFFFAOYSA-N 1 2 266.345 1.186 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001128246255 921227010 /nfs/dbraw/zinc/22/70/10/921227010.db2.gz UZAZBXOFMJIWQT-SNVBAGLBSA-N 1 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286.763 1.110 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1nonc1C ZINC001483403952 911065818 /nfs/dbraw/zinc/06/58/18/911065818.db2.gz NGCZYAXNKLXNDT-VIFPVBQESA-N 1 2 286.763 1.110 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2occc2C)[C@H](O)C1 ZINC001090078724 921643614 /nfs/dbraw/zinc/64/36/14/921643614.db2.gz MFKQBPWDNKKJPS-NWDGAFQWSA-N 1 2 298.770 1.506 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2occc2C)[C@H](O)C1 ZINC001090078724 921643625 /nfs/dbraw/zinc/64/36/25/921643625.db2.gz MFKQBPWDNKKJPS-NWDGAFQWSA-N 1 2 298.770 1.506 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)[C@H](C#N)Cc1cccs1 ZINC001177918071 915029406 /nfs/dbraw/zinc/02/94/06/915029406.db2.gz PCSPEPUEKMFJIV-NSHDSACASA-N 1 2 288.376 1.523 20 30 CDEDLO N#C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccccc1 ZINC001177990226 915110400 /nfs/dbraw/zinc/11/04/00/915110400.db2.gz JYQDNVBHHRKSMQ-GFCCVEGCSA-N 1 2 254.293 1.723 20 30 CDEDLO Cc1noc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)c1C#N ZINC001178100213 915169383 /nfs/dbraw/zinc/16/93/83/915169383.db2.gz 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/nfs/dbraw/zinc/76/21/31/917762131.db2.gz ZWURALOGKQMUBP-INIZCTEOSA-N 1 2 288.395 1.563 20 30 CDEDLO Cc1cc(NC/C=C\CNC(=O)[C@@H](C)C#N)nc(C2CC2)[nH+]1 ZINC001107081163 917988897 /nfs/dbraw/zinc/98/88/97/917988897.db2.gz YDLIUCKULCRBKC-BYCRGOAPSA-N 1 2 299.378 1.906 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H](C)Nc2cc[nH+]c(C)n2)cn1 ZINC001097961056 936470386 /nfs/dbraw/zinc/47/03/86/936470386.db2.gz NJNNFYRLKMWWJB-NSHDSACASA-N 1 2 295.346 1.392 20 30 CDEDLO CCOc1ccc([C@@H](CO)[NH2+][C@@H](CC)CC#N)cn1 ZINC001255151399 936500493 /nfs/dbraw/zinc/50/04/93/936500493.db2.gz AKBPUOMMHLQALL-QWHCGFSZSA-N 1 2 263.341 1.796 20 30 CDEDLO N#C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183750950 918680689 /nfs/dbraw/zinc/68/06/89/918680689.db2.gz USCNLMRXBYBTSY-SOUVJXGZSA-N 1 2 287.338 1.723 20 30 CDEDLO N#C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001183750950 918680700 /nfs/dbraw/zinc/68/07/00/918680700.db2.gz USCNLMRXBYBTSY-SOUVJXGZSA-N 1 2 287.338 1.723 20 30 CDEDLO 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276.380 1.183 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccn(C)c2)C1 ZINC001107868296 918938274 /nfs/dbraw/zinc/93/82/74/918938274.db2.gz RFEAANMVEFFGRH-HNNXBMFYSA-N 1 2 277.368 1.032 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccn(C)c2)C1 ZINC001107868296 918938280 /nfs/dbraw/zinc/93/82/80/918938280.db2.gz RFEAANMVEFFGRH-HNNXBMFYSA-N 1 2 277.368 1.032 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)SC)C1 ZINC001107878721 918970383 /nfs/dbraw/zinc/97/03/83/918970383.db2.gz HLFPCEYLVQDHEZ-DZGCQCFKSA-N 1 2 298.452 1.358 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)SC)C1 ZINC001107878721 918970393 /nfs/dbraw/zinc/97/03/93/918970393.db2.gz HLFPCEYLVQDHEZ-DZGCQCFKSA-N 1 2 298.452 1.358 20 30 CDEDLO N#Cc1ccc(NC(=O)N2CCc3[nH+]ccn3CC2)cc1 ZINC001184741792 919261042 /nfs/dbraw/zinc/26/10/42/919261042.db2.gz BICGXLNFZJSCMR-UHFFFAOYSA-N 1 2 281.319 1.845 20 30 CDEDLO CC#CCCCC(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001185020283 919369806 /nfs/dbraw/zinc/36/98/06/919369806.db2.gz 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/nfs/dbraw/zinc/61/49/38/946614938.db2.gz KWGOBGYYRDNUTH-QWHCGFSZSA-N 1 2 254.374 1.426 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001262367968 946614943 /nfs/dbraw/zinc/61/49/43/946614943.db2.gz KWGOBGYYRDNUTH-QWHCGFSZSA-N 1 2 254.374 1.426 20 30 CDEDLO O=C1C=C2C[N@H+](Cc3ccncc3O)CC[C@H]2S1 ZINC001140275368 936696105 /nfs/dbraw/zinc/69/61/05/936696105.db2.gz WNFNNHDSDLMSLK-GFCCVEGCSA-N 1 2 262.334 1.561 20 30 CDEDLO O=C1C=C2C[N@@H+](Cc3ccncc3O)CC[C@H]2S1 ZINC001140275368 936696107 /nfs/dbraw/zinc/69/61/07/936696107.db2.gz WNFNNHDSDLMSLK-GFCCVEGCSA-N 1 2 262.334 1.561 20 30 CDEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)C#CC(C)C)C2)co1 ZINC001190053519 921816209 /nfs/dbraw/zinc/81/62/09/921816209.db2.gz JRULXZMVLKVIPD-OAHLLOKOSA-N 1 2 289.379 1.675 20 30 CDEDLO Cc1nc(C[N@H+](C)[C@@H]2CCN(C(=O)C#CC(C)C)C2)co1 ZINC001190053519 921816213 /nfs/dbraw/zinc/81/62/13/921816213.db2.gz JRULXZMVLKVIPD-OAHLLOKOSA-N 1 2 289.379 1.675 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@]2(C)C[N@H+](CC=C)CCO2)cc1 ZINC001108112221 922464787 /nfs/dbraw/zinc/46/47/87/922464787.db2.gz MRBJNIRICDJSMW-SFHVURJKSA-N 1 2 298.386 1.675 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@]2(C)C[N@@H+](CC=C)CCO2)cc1 ZINC001108112221 922464797 /nfs/dbraw/zinc/46/47/97/922464797.db2.gz MRBJNIRICDJSMW-SFHVURJKSA-N 1 2 298.386 1.675 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001108125236 922603395 /nfs/dbraw/zinc/60/33/95/922603395.db2.gz AVRWXXBBHXKBGH-BZPMIXESSA-N 1 2 252.358 1.036 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001108125236 922603409 /nfs/dbraw/zinc/60/34/09/922603409.db2.gz AVRWXXBBHXKBGH-BZPMIXESSA-N 1 2 252.358 1.036 20 30 CDEDLO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC001191650457 922693582 /nfs/dbraw/zinc/69/35/82/922693582.db2.gz LSRVIZYROPEZKD-CYBMUJFWSA-N 1 2 296.374 1.733 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC001191650457 922693589 /nfs/dbraw/zinc/69/35/89/922693589.db2.gz LSRVIZYROPEZKD-CYBMUJFWSA-N 1 2 296.374 1.733 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCC#CC)C1 ZINC001108141782 922739347 /nfs/dbraw/zinc/73/93/47/922739347.db2.gz DELAERBSGVOTKH-MRXNPFEDSA-N 1 2 278.396 1.573 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCCC#CC)C1 ZINC001108141782 922739358 /nfs/dbraw/zinc/73/93/58/922739358.db2.gz DELAERBSGVOTKH-MRXNPFEDSA-N 1 2 278.396 1.573 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H](C=C)CC)C1 ZINC001108149150 922783831 /nfs/dbraw/zinc/78/38/31/922783831.db2.gz RLWLXFGCAWVXDG-GDBMZVCRSA-N 1 2 280.412 1.982 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H](C=C)CC)C1 ZINC001108149150 922783839 /nfs/dbraw/zinc/78/38/39/922783839.db2.gz RLWLXFGCAWVXDG-GDBMZVCRSA-N 1 2 280.412 1.982 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC(=C)Cl)C[C@@H]1O ZINC001099726089 936803967 /nfs/dbraw/zinc/80/39/67/936803967.db2.gz DHQQMJGPTGMZGP-NEPJUHHUSA-N 1 2 272.776 1.257 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](CC(=C)Cl)C[C@@H]1O ZINC001099726089 936803968 /nfs/dbraw/zinc/80/39/68/936803968.db2.gz DHQQMJGPTGMZGP-NEPJUHHUSA-N 1 2 272.776 1.257 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C1 ZINC001099826885 936812414 /nfs/dbraw/zinc/81/24/14/936812414.db2.gz ROBDFFBAIOONDH-OLZOCXBDSA-N 1 2 298.814 1.340 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C1 ZINC001099826885 936812417 /nfs/dbraw/zinc/81/24/17/936812417.db2.gz ROBDFFBAIOONDH-OLZOCXBDSA-N 1 2 298.814 1.340 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(C)CC=CC2)C1 ZINC001108183928 923915240 /nfs/dbraw/zinc/91/52/40/923915240.db2.gz IJTSDAGMKYHQIW-MRXNPFEDSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2(C)CC=CC2)C1 ZINC001108183928 923915245 /nfs/dbraw/zinc/91/52/45/923915245.db2.gz IJTSDAGMKYHQIW-MRXNPFEDSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CCCOCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccon2)C1 ZINC001194381730 924195450 /nfs/dbraw/zinc/19/54/50/924195450.db2.gz MHBPZRPLMOPUCO-CQSZACIVSA-N 1 2 293.367 1.300 20 30 CDEDLO C=CCCOCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccon2)C1 ZINC001194381730 924195461 /nfs/dbraw/zinc/19/54/61/924195461.db2.gz MHBPZRPLMOPUCO-CQSZACIVSA-N 1 2 293.367 1.300 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)cn2)C1 ZINC001079568766 924362253 /nfs/dbraw/zinc/36/22/53/924362253.db2.gz HTHKSWWCDPVPPI-MWLCHTKSSA-N 1 2 282.775 1.223 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)cn2)C1 ZINC001079568766 924362258 /nfs/dbraw/zinc/36/22/58/924362258.db2.gz HTHKSWWCDPVPPI-MWLCHTKSSA-N 1 2 282.775 1.223 20 30 CDEDLO Cc1ccc(C[NH+]2CCN(c3nccnc3C#N)CC2)o1 ZINC001203297755 924365638 /nfs/dbraw/zinc/36/56/38/924365638.db2.gz XXXBFBDYHDTXJK-UHFFFAOYSA-N 1 2 283.335 1.572 20 30 CDEDLO Cn1c[nH+]cc1-c1cccc(C(=O)N2CCOC[C@@H]2C#N)c1 ZINC001194908755 924389490 /nfs/dbraw/zinc/38/94/90/924389490.db2.gz FFUYRLKJOFQSMF-AWEZNQCLSA-N 1 2 296.330 1.452 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CCOC2)C1 ZINC001080327236 924535392 /nfs/dbraw/zinc/53/53/92/924535392.db2.gz SUKKYIUQRWVRDX-IRUJWGPZSA-N 1 2 290.766 1.304 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CCOC2)C1 ZINC001080327236 924535398 /nfs/dbraw/zinc/53/53/98/924535398.db2.gz SUKKYIUQRWVRDX-IRUJWGPZSA-N 1 2 290.766 1.304 20 30 CDEDLO CCN(C(=O)c1cc(C)cc(C#N)c1)C1C[NH+](C)C1 ZINC001195420212 924606405 /nfs/dbraw/zinc/60/64/05/924606405.db2.gz KOBBUUJIRGVFBB-UHFFFAOYSA-N 1 2 257.337 1.643 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)s2)[C@H](OC)C1 ZINC001081292955 924729638 /nfs/dbraw/zinc/72/96/38/924729638.db2.gz YBOPBOMHQNSDGV-VXGBXAGGSA-N 1 2 278.377 1.119 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)s2)[C@H](OC)C1 ZINC001081292955 924729643 /nfs/dbraw/zinc/72/96/43/924729643.db2.gz YBOPBOMHQNSDGV-VXGBXAGGSA-N 1 2 278.377 1.119 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)sc2C)[C@H](OC)C1 ZINC001081907595 924818631 /nfs/dbraw/zinc/81/86/31/924818631.db2.gz OMFNFGVAKUAOMV-ZIAGYGMSSA-N 1 2 292.404 1.427 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)sc2C)[C@H](OC)C1 ZINC001081907595 924818638 /nfs/dbraw/zinc/81/86/38/924818638.db2.gz OMFNFGVAKUAOMV-ZIAGYGMSSA-N 1 2 292.404 1.427 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)C(C)C)CC1 ZINC001197307854 925111513 /nfs/dbraw/zinc/11/15/13/925111513.db2.gz HYWBVLNYDPQCBH-CQSZACIVSA-N 1 2 295.427 1.115 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)C(C)C)CC1 ZINC001197307854 925111516 /nfs/dbraw/zinc/11/15/16/925111516.db2.gz HYWBVLNYDPQCBH-CQSZACIVSA-N 1 2 295.427 1.115 20 30 CDEDLO N#Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](CCF)C[C@H]32)c[nH]1 ZINC001084293638 925202564 /nfs/dbraw/zinc/20/25/64/925202564.db2.gz PRDDHDXHPMQGAX-ZWNOBZJWSA-N 1 2 276.315 1.002 20 30 CDEDLO N#Cc1cc(C(=O)N2C[C@H]3CC[N@H+](CCF)C[C@H]32)c[nH]1 ZINC001084293638 925202572 /nfs/dbraw/zinc/20/25/72/925202572.db2.gz PRDDHDXHPMQGAX-ZWNOBZJWSA-N 1 2 276.315 1.002 20 30 CDEDLO C=CC(C)(C)C(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101902667 937024990 /nfs/dbraw/zinc/02/49/90/937024990.db2.gz AJSNMZAPDPIZKI-UHFFFAOYSA-N 1 2 262.357 1.868 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc(N(C)C)n2)CC1 ZINC001199791171 925864144 /nfs/dbraw/zinc/86/41/44/925864144.db2.gz VPCQWMJYKNINQQ-UHFFFAOYSA-N 1 2 274.368 1.091 20 30 CDEDLO C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(CCC)[nH]n1 ZINC001085755053 926356613 /nfs/dbraw/zinc/35/66/13/926356613.db2.gz VUWRQKKTGJTJQN-CQSZACIVSA-N 1 2 288.395 1.532 20 30 CDEDLO CCc1cc(C#N)ccc1C[NH+]1CC2(C1)COCC(=O)N2C ZINC001273905303 926397456 /nfs/dbraw/zinc/39/74/56/926397456.db2.gz TZDOCPOKKIARCN-UHFFFAOYSA-N 1 2 299.374 1.164 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn(C(C)C)n1 ZINC001085853360 926452378 /nfs/dbraw/zinc/45/23/78/926452378.db2.gz VTPHXUZBLVCSTR-AWEZNQCLSA-N 1 2 288.395 1.634 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn(C(C)C)n1 ZINC001085853360 926452383 /nfs/dbraw/zinc/45/23/83/926452383.db2.gz VTPHXUZBLVCSTR-AWEZNQCLSA-N 1 2 288.395 1.634 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)nc1OC ZINC001085855238 926459243 /nfs/dbraw/zinc/45/92/43/926459243.db2.gz TVWKBDCTBCFYRQ-CYBMUJFWSA-N 1 2 287.363 1.178 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)nc1OC ZINC001085855238 926459246 /nfs/dbraw/zinc/45/92/46/926459246.db2.gz TVWKBDCTBCFYRQ-CYBMUJFWSA-N 1 2 287.363 1.178 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccnc(C)c1 ZINC001085879654 926474076 /nfs/dbraw/zinc/47/40/76/926474076.db2.gz APZBLHYRSKXPQY-AWEZNQCLSA-N 1 2 257.337 1.170 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccnc(C)c1 ZINC001085879654 926474077 /nfs/dbraw/zinc/47/40/77/926474077.db2.gz APZBLHYRSKXPQY-AWEZNQCLSA-N 1 2 257.337 1.170 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cncnc1C(C)C ZINC001085975552 926559834 /nfs/dbraw/zinc/55/98/34/926559834.db2.gz ZNYGSOKTLFHQMB-CYBMUJFWSA-N 1 2 286.379 1.380 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cncnc1C(C)C ZINC001085975552 926559837 /nfs/dbraw/zinc/55/98/37/926559837.db2.gz ZNYGSOKTLFHQMB-CYBMUJFWSA-N 1 2 286.379 1.380 20 30 CDEDLO N#CCCC(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001143198856 937134193 /nfs/dbraw/zinc/13/41/93/937134193.db2.gz OIPFTWNGHXWTCZ-LLVKDONJSA-N 1 2 271.311 1.622 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ncc(OC)cn1 ZINC001438892264 927253286 /nfs/dbraw/zinc/25/32/86/927253286.db2.gz DSRHSEDQUMKOID-UHFFFAOYSA-N 1 2 298.774 1.242 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ncc(OC)cn1 ZINC001438892264 927253298 /nfs/dbraw/zinc/25/32/98/927253298.db2.gz DSRHSEDQUMKOID-UHFFFAOYSA-N 1 2 298.774 1.242 20 30 CDEDLO C[C@@H]1C[C@H](N2CC[NH2+]C[C@H]2C#N)CN1C(=O)OC(C)(C)C ZINC001168852222 927492267 /nfs/dbraw/zinc/49/22/67/927492267.db2.gz WVLNFDBLABMYNE-FRRDWIJNSA-N 1 2 294.399 1.182 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H](C)C2CC2)C1 ZINC001108425172 927546032 /nfs/dbraw/zinc/54/60/32/927546032.db2.gz ZIIHEAYCZPTBOH-BBRMVZONSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H](C)C2CC2)C1 ZINC001108425172 927546041 /nfs/dbraw/zinc/54/60/41/927546041.db2.gz ZIIHEAYCZPTBOH-BBRMVZONSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)C2CC2)C1 ZINC001108425175 927546203 /nfs/dbraw/zinc/54/62/03/927546203.db2.gz ZIIHEAYCZPTBOH-XJKSGUPXSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)C2CC2)C1 ZINC001108425175 927546206 /nfs/dbraw/zinc/54/62/06/927546206.db2.gz ZIIHEAYCZPTBOH-XJKSGUPXSA-N 1 2 280.412 1.816 20 30 CDEDLO O=C1C=C2C[N@H+]([C@@H]3CCCC4(C3)OCCO4)CC[C@H]2S1 ZINC001169934443 928527307 /nfs/dbraw/zinc/52/73/07/928527307.db2.gz MSEJFPMVPZPLQT-CHWSQXEVSA-N 1 2 295.404 1.946 20 30 CDEDLO O=C1C=C2C[N@@H+]([C@@H]3CCCC4(C3)OCCO4)CC[C@H]2S1 ZINC001169934443 928527312 /nfs/dbraw/zinc/52/73/12/928527312.db2.gz MSEJFPMVPZPLQT-CHWSQXEVSA-N 1 2 295.404 1.946 20 30 CDEDLO C=C[C@@](C)(O)CNc1ccc(N2CCOCC2)[nH+]c1 ZINC001252542821 929005268 /nfs/dbraw/zinc/00/52/68/929005268.db2.gz JFFCWUJXRUQESO-CQSZACIVSA-N 1 2 263.341 1.267 20 30 CDEDLO C#CC[N@@H+](CC)Cc1cc(Br)nn1C ZINC000787127249 929324585 /nfs/dbraw/zinc/32/45/85/929324585.db2.gz AOIYFRYXBRASNM-UHFFFAOYSA-N 1 2 256.147 1.638 20 30 CDEDLO C#CC[N@H+](CC)Cc1cc(Br)nn1C ZINC000787127249 929324598 /nfs/dbraw/zinc/32/45/98/929324598.db2.gz AOIYFRYXBRASNM-UHFFFAOYSA-N 1 2 256.147 1.638 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)NC(=O)C2CCCC2)CC1 ZINC001112880342 929524942 /nfs/dbraw/zinc/52/49/42/929524942.db2.gz WEIYRVXDGZWKEG-CYBMUJFWSA-N 1 2 293.411 1.012 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)COCC2CCCC2)CC1 ZINC001112974890 929616962 /nfs/dbraw/zinc/61/69/62/929616962.db2.gz REMNIKMCMGSVNN-UHFFFAOYSA-N 1 2 266.385 1.523 20 30 CDEDLO Cc1nc(N[C@H](CCNC(=O)[C@H](C)C#N)C(C)C)cc[nH+]1 ZINC001115301423 937346123 /nfs/dbraw/zinc/34/61/23/937346123.db2.gz YVJUEWXIHXGYGY-DGCLKSJQSA-N 1 2 289.383 1.888 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000884044928 930409094 /nfs/dbraw/zinc/40/90/94/930409094.db2.gz ATDMXTVNMXLKPA-SRVKXCTJSA-N 1 2 268.357 1.223 20 30 CDEDLO Cc1nc(N[C@H](C)CN(C)C(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001115698075 937413694 /nfs/dbraw/zinc/41/36/94/937413694.db2.gz YRKATGBGERHVFX-SNVBAGLBSA-N 1 2 298.350 1.557 20 30 CDEDLO CC[N@H+](Cc1nccn1C)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207631 937429508 /nfs/dbraw/zinc/42/95/08/937429508.db2.gz MYPINUVWHMWCIA-CQSZACIVSA-N 1 2 290.411 1.406 20 30 CDEDLO CC[N@@H+](Cc1nccn1C)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207631 937429509 /nfs/dbraw/zinc/42/95/09/937429509.db2.gz MYPINUVWHMWCIA-CQSZACIVSA-N 1 2 290.411 1.406 20 30 CDEDLO C=CC[C@H](NC(=O)CCCn1cc[nH+]c1)C(=O)OCC ZINC001116587294 937458557 /nfs/dbraw/zinc/45/85/57/937458557.db2.gz MKZSAKRTERLAMC-LBPRGKRZSA-N 1 2 279.340 1.287 20 30 CDEDLO COC(=O)c1ccc(C(=[NH2+])Nc2ccnc(C(N)=O)c2)cc1 ZINC001170983913 931142985 /nfs/dbraw/zinc/14/29/85/931142985.db2.gz HLPDMAQOVSSQQM-UHFFFAOYSA-N 1 2 298.302 1.004 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)CCOC(=O)N(C)C)n1 ZINC001116855919 937476808 /nfs/dbraw/zinc/47/68/08/937476808.db2.gz RGKRPGBXHSLJSH-UHFFFAOYSA-N 1 2 278.356 1.036 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)CCOC(=O)N(C)C)n1 ZINC001116855919 937476809 /nfs/dbraw/zinc/47/68/09/937476809.db2.gz RGKRPGBXHSLJSH-UHFFFAOYSA-N 1 2 278.356 1.036 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH]cc2C)[C@H](O)C1 ZINC001090803260 931485056 /nfs/dbraw/zinc/48/50/56/931485056.db2.gz ACWXVKJEMSDXNS-QWHCGFSZSA-N 1 2 297.786 1.241 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]cc2C)[C@H](O)C1 ZINC001090803260 931485058 /nfs/dbraw/zinc/48/50/58/931485058.db2.gz ACWXVKJEMSDXNS-QWHCGFSZSA-N 1 2 297.786 1.241 20 30 CDEDLO C[N@@H+]1CCc2nc(C(=O)NC3(C#N)CCC3)sc2C1 ZINC001154213251 937517603 /nfs/dbraw/zinc/51/76/03/937517603.db2.gz DASISEPMDBEDPZ-UHFFFAOYSA-N 1 2 276.365 1.307 20 30 CDEDLO C[N@H+]1CCc2nc(C(=O)NC3(C#N)CCC3)sc2C1 ZINC001154213251 937517604 /nfs/dbraw/zinc/51/76/04/937517604.db2.gz DASISEPMDBEDPZ-UHFFFAOYSA-N 1 2 276.365 1.307 20 30 CDEDLO C#CCOCCOCCNc1cc(SC)cc[nH+]1 ZINC001160671263 931963522 /nfs/dbraw/zinc/96/35/22/931963522.db2.gz KSYDVZDGMFUJRS-UHFFFAOYSA-N 1 2 266.366 1.882 20 30 CDEDLO C=CC[C@@](C)(NC(=O)c1cccc2[nH+]ccn21)C(=O)OC ZINC001154527393 937553576 /nfs/dbraw/zinc/55/35/76/937553576.db2.gz ACUQTADQUBJAMK-OAHLLOKOSA-N 1 2 287.319 1.572 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(N3CCn4nncc4C3)c2c1 ZINC001154817902 937591177 /nfs/dbraw/zinc/59/11/77/937591177.db2.gz MKOFXLPPUKTKLD-UHFFFAOYSA-N 1 2 276.303 1.718 20 30 CDEDLO C[C@@H](C#N)c1cccc(C(=O)NCCn2cc[nH+]c2)c1 ZINC001148607437 932745363 /nfs/dbraw/zinc/74/53/63/932745363.db2.gz CUKMSJTYNBKTFE-LBPRGKRZSA-N 1 2 268.320 1.940 20 30 CDEDLO CC#CCCCC(=O)NC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001098192355 934482346 /nfs/dbraw/zinc/48/23/46/934482346.db2.gz RMAHYPXVYQMKRI-LBPRGKRZSA-N 1 2 274.368 1.895 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1nnnn1C1CC1 ZINC000191488791 934566080 /nfs/dbraw/zinc/56/60/80/934566080.db2.gz BTFVNUGWVISHGY-LLVKDONJSA-N 1 2 292.387 1.083 20 30 CDEDLO C=C[C@@H](O)C[NH+]1CC(Oc2ccc(F)c(F)c2)C1 ZINC001253578567 935240894 /nfs/dbraw/zinc/24/08/94/935240894.db2.gz DJXISZXANSQUHS-SECBINFHSA-N 1 2 255.264 1.575 20 30 CDEDLO C=C[C@@H](O)C[N@@H+]1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC001253579534 935250934 /nfs/dbraw/zinc/25/09/34/935250934.db2.gz QVOZYXWURMWXFF-TZMCWYRMSA-N 1 2 281.377 1.082 20 30 CDEDLO C=C[C@@H](O)C[N@H+]1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC001253579534 935250939 /nfs/dbraw/zinc/25/09/39/935250939.db2.gz QVOZYXWURMWXFF-TZMCWYRMSA-N 1 2 281.377 1.082 20 30 CDEDLO Cc1nc(NCCC[C@@H](C)NC(=O)C#CC2CC2)cc[nH+]1 ZINC001114922635 935348949 /nfs/dbraw/zinc/34/89/49/935348949.db2.gz LAVNSGMHPPARET-GFCCVEGCSA-N 1 2 286.379 1.895 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccns2)C1 ZINC001007443096 935382420 /nfs/dbraw/zinc/38/24/20/935382420.db2.gz KFHZXLBWVMHFQI-JTQLQIEISA-N 1 2 251.355 1.523 20 30 CDEDLO C=CC[N@H+]1CCC[C@H](NC(=O)c2ccns2)C1 ZINC001007443096 935382425 /nfs/dbraw/zinc/38/24/25/935382425.db2.gz KFHZXLBWVMHFQI-JTQLQIEISA-N 1 2 251.355 1.523 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1-c1ccoc1 ZINC001038547069 935748377 /nfs/dbraw/zinc/74/83/77/935748377.db2.gz UNXYLTPRXDCXDB-GFCCVEGCSA-N 1 2 284.319 1.107 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1-c1ccoc1 ZINC001038547069 935748380 /nfs/dbraw/zinc/74/83/80/935748380.db2.gz UNXYLTPRXDCXDB-GFCCVEGCSA-N 1 2 284.319 1.107 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCCO[C@@H]2C)C1 ZINC001042660051 935826395 /nfs/dbraw/zinc/82/63/95/935826395.db2.gz BTQIIUBNHDPSBC-YPMHNXCESA-N 1 2 252.358 1.130 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H](C)Cc3cn[nH]c32)C1 ZINC001043622100 935840963 /nfs/dbraw/zinc/84/09/63/935840963.db2.gz KYWYLWIYPGYZBU-BXUZGUMPSA-N 1 2 288.395 1.404 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ncc[nH]1)C2 ZINC001096242331 936019028 /nfs/dbraw/zinc/01/90/28/936019028.db2.gz DOMPHYZORBXEBO-WOPDTQHZSA-N 1 2 294.786 1.426 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ncc[nH]1)C2 ZINC001096242331 936019031 /nfs/dbraw/zinc/01/90/31/936019031.db2.gz DOMPHYZORBXEBO-WOPDTQHZSA-N 1 2 294.786 1.426 20 30 CDEDLO N#CCSCC(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001123787296 936221929 /nfs/dbraw/zinc/22/19/29/936221929.db2.gz KRGHVEGBBCQQGM-UHFFFAOYSA-N 1 2 294.380 1.015 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1ccnc(Cl)c1F ZINC001156321206 938351274 /nfs/dbraw/zinc/35/12/74/938351274.db2.gz UKJCAODEMAHKPD-ZETCQYMHSA-N 1 2 290.676 1.721 20 30 CDEDLO N#Cc1ccc2[nH]c(C(=O)NCCn3cc[nH+]c3)cc2c1 ZINC001156452754 938369071 /nfs/dbraw/zinc/36/90/71/938369071.db2.gz XYARNXWLFYAGRL-UHFFFAOYSA-N 1 2 279.303 1.666 20 30 CDEDLO COc1cc(C#N)nc(NCc2cc[nH+]c(N)c2)c1 ZINC001156757301 938414507 /nfs/dbraw/zinc/41/45/07/938414507.db2.gz QYYSAKIAEKNBLL-UHFFFAOYSA-N 1 2 255.281 1.551 20 30 CDEDLO C=C(C)C(=O)OCCNc1cc(N)cc(Cl)[nH+]1 ZINC001157304078 938477486 /nfs/dbraw/zinc/47/74/86/938477486.db2.gz BTUCJDMDDUSKIY-UHFFFAOYSA-N 1 2 255.705 1.848 20 30 CDEDLO COc1cc(N[C@@H]2CCC[N@@H+](C3COC3)C2)ncc1C#N ZINC001157580917 938515391 /nfs/dbraw/zinc/51/53/91/938515391.db2.gz OYQPSXUOUIJDRY-GFCCVEGCSA-N 1 2 288.351 1.237 20 30 CDEDLO COc1cc(N[C@@H]2CCC[N@H+](C3COC3)C2)ncc1C#N ZINC001157580917 938515392 /nfs/dbraw/zinc/51/53/92/938515392.db2.gz OYQPSXUOUIJDRY-GFCCVEGCSA-N 1 2 288.351 1.237 20 30 CDEDLO Cc1nc(N[C@@H]2CCC[N@@H+](C3COC3)C2)ccc1C#N ZINC001157586318 938515865 /nfs/dbraw/zinc/51/58/65/938515865.db2.gz WBVLHOMDQAOLHG-CYBMUJFWSA-N 1 2 272.352 1.537 20 30 CDEDLO Cc1nc(N[C@@H]2CCC[N@H+](C3COC3)C2)ccc1C#N ZINC001157586318 938515870 /nfs/dbraw/zinc/51/58/70/938515870.db2.gz WBVLHOMDQAOLHG-CYBMUJFWSA-N 1 2 272.352 1.537 20 30 CDEDLO C=CCCC[NH2+]CCCNC(=O)C(F)C(F)(F)F ZINC001158471382 938628119 /nfs/dbraw/zinc/62/81/19/938628119.db2.gz JLAZTLUWSWCKPN-SECBINFHSA-N 1 2 270.270 1.949 20 30 CDEDLO C=CCCC[NH2+]CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001158471382 938628120 /nfs/dbraw/zinc/62/81/20/938628120.db2.gz JLAZTLUWSWCKPN-SECBINFHSA-N 1 2 270.270 1.949 20 30 CDEDLO O=C(/C=C/c1ccc(F)cc1)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001158860626 938671886 /nfs/dbraw/zinc/67/18/86/938671886.db2.gz HCXAMTGDSAOYML-YIALFULDSA-N 1 2 299.305 1.346 20 30 CDEDLO C#CCCN1CCC[C@H](Nc2cc(N)cc(Cl)[nH+]2)C1=O ZINC001160897423 938840264 /nfs/dbraw/zinc/84/02/64/938840264.db2.gz DWRCTGIETLSMOO-NSHDSACASA-N 1 2 292.770 1.743 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNc2ccc(C3(C#N)CC3)cn2)C1 ZINC001162682960 939115579 /nfs/dbraw/zinc/11/55/79/939115579.db2.gz LWMUVPULJVPBCW-ZDUSSCGKSA-N 1 2 272.352 1.379 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNc2ccc(C3(C#N)CC3)cn2)C1 ZINC001162682960 939115582 /nfs/dbraw/zinc/11/55/82/939115582.db2.gz LWMUVPULJVPBCW-ZDUSSCGKSA-N 1 2 272.352 1.379 20 30 CDEDLO CCc1cc(C[NH+]2CC(N(C)C(C)=O)C2)ccc1C#N ZINC001238779563 945246990 /nfs/dbraw/zinc/24/69/90/945246990.db2.gz WQEPLKDCWAPTJP-UHFFFAOYSA-N 1 2 271.364 1.783 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1ccc(F)c(Cl)n1 ZINC001164642595 939501315 /nfs/dbraw/zinc/50/13/15/939501315.db2.gz XKFYLPMSPKOMPY-ZETCQYMHSA-N 1 2 290.676 1.721 20 30 CDEDLO C=CCCCC(=O)NCCC[NH2+]Cc1noc(CCC)n1 ZINC001165535575 939569598 /nfs/dbraw/zinc/56/95/98/939569598.db2.gz QGJLYDDIRYZXAH-UHFFFAOYSA-N 1 2 294.399 1.974 20 30 CDEDLO C=C1CC(C)(C(=O)NCCC[NH2+][C@@H](C)c2noc(C)n2)C1 ZINC001166239202 939600984 /nfs/dbraw/zinc/60/09/84/939600984.db2.gz PNFCPHXXFIPRLO-NSHDSACASA-N 1 2 292.383 1.891 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CCCF)C1 ZINC001276413186 939693792 /nfs/dbraw/zinc/69/37/92/939693792.db2.gz BPFFWKVGMJEIOJ-JTQLQIEISA-N 1 2 262.756 1.925 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](OCc2cccc(C#N)c2)C[N@@H+]1C ZINC001205595811 939906815 /nfs/dbraw/zinc/90/68/15/939906815.db2.gz PRQRYRAULUFSPC-KGLIPLIRSA-N 1 2 274.320 1.321 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](OCc2cccc(C#N)c2)C[N@H+]1C ZINC001205595811 939906818 /nfs/dbraw/zinc/90/68/18/939906818.db2.gz PRQRYRAULUFSPC-KGLIPLIRSA-N 1 2 274.320 1.321 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1-c1ccc(C#N)cc1OC ZINC001209260371 940453228 /nfs/dbraw/zinc/45/32/28/940453228.db2.gz UQVXGEQZYKUWEI-UHFFFAOYSA-N 1 2 286.291 1.511 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC001209623252 940619642 /nfs/dbraw/zinc/61/96/42/940619642.db2.gz HPXXVPJQYSKGJQ-UHFFFAOYSA-N 1 2 284.407 1.433 20 30 CDEDLO C#CCN1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC001209623252 940619644 /nfs/dbraw/zinc/61/96/44/940619644.db2.gz HPXXVPJQYSKGJQ-UHFFFAOYSA-N 1 2 284.407 1.433 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CCOC)C1 ZINC001211163085 940736572 /nfs/dbraw/zinc/73/65/72/940736572.db2.gz DJZDHBJGYWFRLJ-DMDPSCGWSA-N 1 2 288.819 1.848 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CCOC)C1 ZINC001211163085 940736575 /nfs/dbraw/zinc/73/65/75/940736575.db2.gz DJZDHBJGYWFRLJ-DMDPSCGWSA-N 1 2 288.819 1.848 20 30 CDEDLO CN(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2c1ccc(C#N)cc1 ZINC001276960762 941738302 /nfs/dbraw/zinc/73/83/02/941738302.db2.gz QLZZRHAHGFFCDE-CALCHBBNSA-N 1 2 284.407 1.773 20 30 CDEDLO CN(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2c1ccc(C#N)cc1 ZINC001276960762 941738304 /nfs/dbraw/zinc/73/83/04/941738304.db2.gz QLZZRHAHGFFCDE-CALCHBBNSA-N 1 2 284.407 1.773 20 30 CDEDLO Cn1cc(C[N@@H+]2CCC23CN(c2cncnc2)C3)cc1C#N ZINC001276975068 941760870 /nfs/dbraw/zinc/76/08/70/941760870.db2.gz UBQOIHIYLQIUMO-UHFFFAOYSA-N 1 2 294.362 1.151 20 30 CDEDLO Cn1cc(C[N@H+]2CCC23CN(c2cncnc2)C3)cc1C#N ZINC001276975068 941760871 /nfs/dbraw/zinc/76/08/71/941760871.db2.gz UBQOIHIYLQIUMO-UHFFFAOYSA-N 1 2 294.362 1.151 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(F)cc(F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225226647 941831580 /nfs/dbraw/zinc/83/15/80/941831580.db2.gz SOYZPWNJABOJER-KLLCGCCRSA-N 1 2 267.275 1.956 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(F)cc(F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225226647 941831587 /nfs/dbraw/zinc/83/15/87/941831587.db2.gz SOYZPWNJABOJER-KLLCGCCRSA-N 1 2 267.275 1.956 20 30 CDEDLO C=C1O[C@@H](C)C(=O)C1Oc1cccnc1C[NH+](C)C ZINC001225278471 941836526 /nfs/dbraw/zinc/83/65/26/941836526.db2.gz OCTYXTYDVROFEW-VIFPVBQESA-N 1 2 262.309 1.741 20 30 CDEDLO N#Cc1cc(F)cc(C[NH+]2CC3(C[C@H]3C(N)=O)C2)c1 ZINC001277126339 942000090 /nfs/dbraw/zinc/00/00/90/942000090.db2.gz AHWLGKSLJDEANH-LBPRGKRZSA-N 1 2 259.284 1.005 20 30 CDEDLO O=C(C#CC1CC1)NC1CC[NH+](Cc2ccon2)CC1 ZINC001227272285 942161410 /nfs/dbraw/zinc/16/14/10/942161410.db2.gz FRVBAOVXASGTKE-UHFFFAOYSA-N 1 2 273.336 1.169 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(C4CC4)cn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229000558 942405629 /nfs/dbraw/zinc/40/56/29/942405629.db2.gz ONFCPCOXJNHTLB-NQPNPBMCSA-N 1 2 272.348 1.950 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(C4CC4)cn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229000558 942405635 /nfs/dbraw/zinc/40/56/35/942405635.db2.gz ONFCPCOXJNHTLB-NQPNPBMCSA-N 1 2 272.348 1.950 20 30 CDEDLO COCC[C@@](C)(C#N)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001332539430 942644037 /nfs/dbraw/zinc/64/40/37/942644037.db2.gz XYMBOHPNXQWSCZ-YPMHNXCESA-N 1 2 264.329 1.269 20 30 CDEDLO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001316616818 942647910 /nfs/dbraw/zinc/64/79/10/942647910.db2.gz ZBYYQAVKGFTLRK-YIZRAAEISA-N 1 2 266.238 1.004 20 30 CDEDLO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001316616818 942647914 /nfs/dbraw/zinc/64/79/14/942647914.db2.gz ZBYYQAVKGFTLRK-YIZRAAEISA-N 1 2 266.238 1.004 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC=CCC1 ZINC001230734410 942686918 /nfs/dbraw/zinc/68/69/18/942686918.db2.gz DIWFSCCBOKRJIG-CVEARBPZSA-N 1 2 290.407 1.525 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC=CCC1 ZINC001230734410 942686921 /nfs/dbraw/zinc/68/69/21/942686921.db2.gz DIWFSCCBOKRJIG-CVEARBPZSA-N 1 2 290.407 1.525 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC1(F)F ZINC001282384118 942700614 /nfs/dbraw/zinc/70/06/14/942700614.db2.gz HQXAPXSAPUSSTN-BDAKNGLRSA-N 1 2 266.719 1.831 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC1(F)F ZINC001282384118 942700618 /nfs/dbraw/zinc/70/06/18/942700618.db2.gz HQXAPXSAPUSSTN-BDAKNGLRSA-N 1 2 266.719 1.831 20 30 CDEDLO CN(C[C@H]1CC[N@@H+]1C/C=C/Cl)C(=O)CSCC#N ZINC001230819387 942706699 /nfs/dbraw/zinc/70/66/99/942706699.db2.gz SWXRHMPMEPGGOP-JRBALWBOSA-N 1 2 287.816 1.528 20 30 CDEDLO CN(C[C@H]1CC[N@H+]1C/C=C/Cl)C(=O)CSCC#N ZINC001230819387 942706702 /nfs/dbraw/zinc/70/67/02/942706702.db2.gz SWXRHMPMEPGGOP-JRBALWBOSA-N 1 2 287.816 1.528 20 30 CDEDLO C=C[C@H](Oc1cc2c(cc1O)C=[NH+]CC2)C(=O)OC ZINC001230921383 942735614 /nfs/dbraw/zinc/73/56/14/942735614.db2.gz MAUOPLBAOKNURN-LBPRGKRZSA-N 1 2 261.277 1.474 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cncn1C ZINC001231113550 942788875 /nfs/dbraw/zinc/78/88/75/942788875.db2.gz IKCDNLANZJTBAG-ZDUSSCGKSA-N 1 2 276.384 1.419 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cncn1C ZINC001231113550 942788879 /nfs/dbraw/zinc/78/88/79/942788879.db2.gz IKCDNLANZJTBAG-ZDUSSCGKSA-N 1 2 276.384 1.419 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(=O)NCCC ZINC001231122871 942792148 /nfs/dbraw/zinc/79/21/48/942792148.db2.gz PQDLHJIRECZDAJ-UONOGXRCSA-N 1 2 295.427 1.400 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NCCC ZINC001231122871 942792152 /nfs/dbraw/zinc/79/21/52/942792152.db2.gz PQDLHJIRECZDAJ-UONOGXRCSA-N 1 2 295.427 1.400 20 30 CDEDLO C=CCOc1cccc(C[NH+]2CC(N(C)C3COC3)C2)c1 ZINC001231625112 942947769 /nfs/dbraw/zinc/94/77/69/942947769.db2.gz MQXZQSFONQJHAC-UHFFFAOYSA-N 1 2 288.391 1.766 20 30 CDEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccc(=O)[nH]n2)CC1 ZINC001232022225 943102150 /nfs/dbraw/zinc/10/21/50/943102150.db2.gz MWBHGKZEJXVYNT-UHFFFAOYSA-N 1 2 295.346 1.376 20 30 CDEDLO N#Cc1ccc(O)c(C[NH+]2CCN(c3ccncn3)CC2)c1 ZINC001232678922 943360590 /nfs/dbraw/zinc/36/05/90/943360590.db2.gz UZPDXGPOUPFAIN-UHFFFAOYSA-N 1 2 295.346 1.376 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC(=O)[C@H](F)CC2)c(O)c1 ZINC001233383525 943569658 /nfs/dbraw/zinc/56/96/58/943569658.db2.gz LDSHHXFUBDUYDD-GFCCVEGCSA-N 1 2 262.284 1.767 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC(=O)[C@H](F)CC2)c(O)c1 ZINC001233383525 943569660 /nfs/dbraw/zinc/56/96/60/943569660.db2.gz LDSHHXFUBDUYDD-GFCCVEGCSA-N 1 2 262.284 1.767 20 30 CDEDLO C[N@@H+]1CC[C@H]2CN(Cc3ccc(C#N)cc3O)C[C@H]21 ZINC001233387010 943573273 /nfs/dbraw/zinc/57/32/73/943573273.db2.gz QJVYAPDTWQOTIZ-GXTWGEPZSA-N 1 2 257.337 1.400 20 30 CDEDLO C[N@H+]1CC[C@H]2CN(Cc3ccc(C#N)cc3O)C[C@H]21 ZINC001233387010 943573275 /nfs/dbraw/zinc/57/32/75/943573275.db2.gz QJVYAPDTWQOTIZ-GXTWGEPZSA-N 1 2 257.337 1.400 20 30 CDEDLO CN1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3O)C[C@H]21 ZINC001233387010 943573278 /nfs/dbraw/zinc/57/32/78/943573278.db2.gz QJVYAPDTWQOTIZ-GXTWGEPZSA-N 1 2 257.337 1.400 20 30 CDEDLO CN1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3O)C[C@H]21 ZINC001233387010 943573282 /nfs/dbraw/zinc/57/32/82/943573282.db2.gz QJVYAPDTWQOTIZ-GXTWGEPZSA-N 1 2 257.337 1.400 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2c(Cl)cccc2C#N)C1 ZINC001233551053 943614560 /nfs/dbraw/zinc/61/45/60/943614560.db2.gz NPZYDDUXQLNUHI-LLVKDONJSA-N 1 2 266.728 1.921 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2c(Cl)cccc2C#N)C1 ZINC001233551053 943614567 /nfs/dbraw/zinc/61/45/67/943614567.db2.gz NPZYDDUXQLNUHI-LLVKDONJSA-N 1 2 266.728 1.921 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1conc1C ZINC001233946431 943698560 /nfs/dbraw/zinc/69/85/60/943698560.db2.gz BGWGQLMXAJPULI-OAHLLOKOSA-N 1 2 289.379 1.819 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1conc1C ZINC001233946431 943698563 /nfs/dbraw/zinc/69/85/63/943698563.db2.gz BGWGQLMXAJPULI-OAHLLOKOSA-N 1 2 289.379 1.819 20 30 CDEDLO CC[C@@H](F)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234162863 943760881 /nfs/dbraw/zinc/76/08/81/943760881.db2.gz VWJALDISRHMGOO-ZIAGYGMSSA-N 1 2 268.376 1.927 20 30 CDEDLO CC[C@@H](F)C[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234162863 943760885 /nfs/dbraw/zinc/76/08/85/943760885.db2.gz VWJALDISRHMGOO-ZIAGYGMSSA-N 1 2 268.376 1.927 20 30 CDEDLO CCN1C[C@@H](C)[N@H+](Cc2ccccc2CC#N)CC1=O ZINC001235525781 944186852 /nfs/dbraw/zinc/18/68/52/944186852.db2.gz RMHPCOSMVKEDCF-CYBMUJFWSA-N 1 2 271.364 1.805 20 30 CDEDLO CCN1C[C@@H](C)[N@@H+](Cc2ccccc2CC#N)CC1=O ZINC001235525781 944186864 /nfs/dbraw/zinc/18/68/64/944186864.db2.gz RMHPCOSMVKEDCF-CYBMUJFWSA-N 1 2 271.364 1.805 20 30 CDEDLO N#Cc1ccc(C(F)(F)F)c(NS(=O)(=O)CC[NH3+])c1 ZINC001237705883 944934289 /nfs/dbraw/zinc/93/42/89/944934289.db2.gz LKHHUWGZZSBVGQ-UHFFFAOYSA-N 1 2 293.270 1.277 20 30 CDEDLO COc1cc(C#N)ccc1C(=O)NCc1[nH]c[nH+]c1C ZINC001362379148 971209139 /nfs/dbraw/zinc/20/91/39/971209139.db2.gz OHYUIVHSRCXJMP-UHFFFAOYSA-N 1 2 270.292 1.528 20 30 CDEDLO COC(=O)[C@@H]([NH3+])c1ccc(-c2cncc(C#N)c2)cc1 ZINC001242275286 946652566 /nfs/dbraw/zinc/65/25/66/946652566.db2.gz ZUISBIBRGQNIQE-AWEZNQCLSA-N 1 2 267.288 1.793 20 30 CDEDLO CCOC[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)Cc2nnn(C)c21 ZINC001254662221 947576953 /nfs/dbraw/zinc/57/69/53/947576953.db2.gz DBTKGFXAZBWJRW-RWMBFGLXSA-N 1 2 289.383 1.443 20 30 CDEDLO CCOC[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)Cc2nnn(C)c21 ZINC001254662221 947576958 /nfs/dbraw/zinc/57/69/58/947576958.db2.gz DBTKGFXAZBWJRW-RWMBFGLXSA-N 1 2 289.383 1.443 20 30 CDEDLO N#C[C@H]1CC[C@H]([NH+]2CC(N3CCC(F)(F)C3)C2)C1 ZINC001254670694 947584442 /nfs/dbraw/zinc/58/44/42/947584442.db2.gz LFBAFEXQFUTVIG-QWRGUYRKSA-N 1 2 255.312 1.704 20 30 CDEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(C(=O)c3ccncc3)CC2)C1 ZINC001254674144 947587653 /nfs/dbraw/zinc/58/76/53/947587653.db2.gz UPKDOEZCEBXCLS-ZFWWWQNUSA-N 1 2 284.363 1.532 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H](NC(=O)c2ccccn2)C1 ZINC001255176876 947765854 /nfs/dbraw/zinc/76/58/54/947765854.db2.gz HNBOJSGRWKGCLT-KGLIPLIRSA-N 1 2 286.379 1.968 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@@H](NC(=O)c2ccccn2)C1 ZINC001255176876 947765858 /nfs/dbraw/zinc/76/58/58/947765858.db2.gz HNBOJSGRWKGCLT-KGLIPLIRSA-N 1 2 286.379 1.968 20 30 CDEDLO C=CC[C@@H]([NH2+][C@H]1CCC[C@H](C(=O)OCC)C1)C(=O)OC ZINC001255347936 947832514 /nfs/dbraw/zinc/83/25/14/947832514.db2.gz HDZJLSFXRUJKQR-RWMBFGLXSA-N 1 2 283.368 1.816 20 30 CDEDLO N#Cc1ccc(-c2noc([C@H]3CSCC[NH2+]3)n2)nc1 ZINC001248601222 949082158 /nfs/dbraw/zinc/08/21/58/949082158.db2.gz GTMAHAZZXGLPQN-SNVBAGLBSA-N 1 2 273.321 1.381 20 30 CDEDLO C=C[C@@](C)(O)CNc1cc[nH+]c(OCCOC)c1 ZINC001252548511 951433848 /nfs/dbraw/zinc/43/38/48/951433848.db2.gz SKOKNHLFOJSHHX-CYBMUJFWSA-N 1 2 252.314 1.456 20 30 CDEDLO C=CCC[C@@H](O)C[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001252604527 951502043 /nfs/dbraw/zinc/50/20/43/951502043.db2.gz SRGQERAEFGRDEM-CQSZACIVSA-N 1 2 272.348 1.948 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001324413393 953380412 /nfs/dbraw/zinc/38/04/12/953380412.db2.gz OXIZISAZODUUSR-UONOGXRCSA-N 1 2 289.379 1.240 20 30 CDEDLO CCNc1cc(CNc2cncc(C#N)n2)cc[nH+]1 ZINC001307180845 954583264 /nfs/dbraw/zinc/58/32/64/954583264.db2.gz FBLBDEFWBGIZTK-UHFFFAOYSA-N 1 2 254.297 1.787 20 30 CDEDLO C[C@@H](C(=O)NCc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC001327045428 954675474 /nfs/dbraw/zinc/67/54/74/954675474.db2.gz MORBGBCQXIBUFU-JTQLQIEISA-N 1 2 255.281 1.027 20 30 CDEDLO COC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001422292630 955921755 /nfs/dbraw/zinc/92/17/55/955921755.db2.gz OILLDFRXIGMRJC-ZIAGYGMSSA-N 1 2 274.320 1.229 20 30 CDEDLO COC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001422292630 955921766 /nfs/dbraw/zinc/92/17/66/955921766.db2.gz OILLDFRXIGMRJC-ZIAGYGMSSA-N 1 2 274.320 1.229 20 30 CDEDLO COC(=O)c1cccc(C=NNc2[nH+]ccn2C)c1 ZINC001330268616 956352988 /nfs/dbraw/zinc/35/29/88/956352988.db2.gz ZGRYDYOQZNXSCT-UHFFFAOYSA-N 1 2 258.281 1.653 20 30 CDEDLO C[C@@H](C#N)C(=O)NC1C[NH+](CCc2cccs2)C1 ZINC001494362612 972217816 /nfs/dbraw/zinc/21/78/16/972217816.db2.gz UARIKLSIKSBVFV-JTQLQIEISA-N 1 2 263.366 1.251 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001313444075 956860112 /nfs/dbraw/zinc/86/01/12/956860112.db2.gz ODKDWZIQJOTPAJ-UHFFFAOYSA-N 1 2 258.325 1.220 20 30 CDEDLO C=C[C@H](COC)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC001320294622 959053822 /nfs/dbraw/zinc/05/38/22/959053822.db2.gz OWHYJUHDLPLGKO-GFCCVEGCSA-N 1 2 274.324 1.335 20 30 CDEDLO C=CC[C@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C(=O)OCC ZINC001320420258 959157731 /nfs/dbraw/zinc/15/77/31/959157731.db2.gz LYUKPDNWXPWJPI-MNOVXSKESA-N 1 2 265.313 1.068 20 30 CDEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001334949780 959482634 /nfs/dbraw/zinc/48/26/34/959482634.db2.gz YDAKWLDLPZDGAG-CHWSQXEVSA-N 1 2 275.352 1.970 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC001433720015 960555263 /nfs/dbraw/zinc/55/52/63/960555263.db2.gz WHXHXJKRYWUXRH-JTQLQIEISA-N 1 2 271.324 1.457 20 30 CDEDLO CC[C@@H](C(=O)N1CC[C@@](F)(C#N)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001433907495 960753428 /nfs/dbraw/zinc/75/34/28/960753428.db2.gz STTXRHKIRAXXQQ-VNHYZAJKSA-N 1 2 297.374 1.340 20 30 CDEDLO CC[C@@H](C(=O)N1CC[C@@](F)(C#N)C1)[N@H+]1CCO[C@H](CC)C1 ZINC001433907495 960753443 /nfs/dbraw/zinc/75/34/43/960753443.db2.gz STTXRHKIRAXXQQ-VNHYZAJKSA-N 1 2 297.374 1.340 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cnn(CC)c1)C1CC1 ZINC001418751993 960980631 /nfs/dbraw/zinc/98/06/31/960980631.db2.gz KDOITRDRLQYESG-UHFFFAOYSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cnn(CC)c1)C1CC1 ZINC001418751993 960980649 /nfs/dbraw/zinc/98/06/49/960980649.db2.gz KDOITRDRLQYESG-UHFFFAOYSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1ccn(C)n1)C1CC1 ZINC001418760876 960988225 /nfs/dbraw/zinc/98/82/25/960988225.db2.gz NXINEZPHLPBTEM-UHFFFAOYSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1ccn(C)n1)C1CC1 ZINC001418760876 960988233 /nfs/dbraw/zinc/98/82/33/960988233.db2.gz NXINEZPHLPBTEM-UHFFFAOYSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnn2c1CCC2 ZINC001420581532 963090247 /nfs/dbraw/zinc/09/02/47/963090247.db2.gz KOXXKEZEQXCRDD-LLVKDONJSA-N 1 2 296.802 1.632 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cnn2c1CCC2 ZINC001420581532 963090263 /nfs/dbraw/zinc/09/02/63/963090263.db2.gz KOXXKEZEQXCRDD-LLVKDONJSA-N 1 2 296.802 1.632 20 30 CDEDLO C=CC[C@H](CC)NC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC001340830905 963147760 /nfs/dbraw/zinc/14/77/60/963147760.db2.gz LJEGOISNRFRREX-ZDUSSCGKSA-N 1 2 292.383 1.250 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCn2cncn2)C1 ZINC001438025598 963285543 /nfs/dbraw/zinc/28/55/43/963285543.db2.gz XEPRGBLWLROTFA-LBPRGKRZSA-N 1 2 297.790 1.001 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCn2cncn2)C1 ZINC001438025598 963285553 /nfs/dbraw/zinc/28/55/53/963285553.db2.gz XEPRGBLWLROTFA-LBPRGKRZSA-N 1 2 297.790 1.001 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccn(C)n1 ZINC001439400987 963751956 /nfs/dbraw/zinc/75/19/56/963751956.db2.gz ADAKXDLINBCPIJ-JTQLQIEISA-N 1 2 270.764 1.223 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccn(C)n1 ZINC001439400987 963751961 /nfs/dbraw/zinc/75/19/61/963751961.db2.gz ADAKXDLINBCPIJ-JTQLQIEISA-N 1 2 270.764 1.223 20 30 CDEDLO CN(C(=O)CCc1[nH+]ccn1C)c1cccc(C#N)c1 ZINC001348580153 966075064 /nfs/dbraw/zinc/07/50/64/966075064.db2.gz JSAKOQFEZCCWKM-UHFFFAOYSA-N 1 2 268.320 1.887 20 30 CDEDLO C=C[C@@](C)(O)c1cn(Cc2c[nH+]ccc2OC)nn1 ZINC001349758189 966460960 /nfs/dbraw/zinc/46/09/60/966460960.db2.gz XINCPUBXKAHKOH-CYBMUJFWSA-N 1 2 260.297 1.124 20 30 CDEDLO CCNc1cc(CNC(=O)N2CC[C@@](C)(C#N)C2)cc[nH+]1 ZINC001548660572 967702316 /nfs/dbraw/zinc/70/23/16/967702316.db2.gz YUKHXZZBGVWFHY-HNNXBMFYSA-N 1 2 287.367 1.959 20 30 CDEDLO C#CCCCCCC(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001100255469 967778040 /nfs/dbraw/zinc/77/80/40/967778040.db2.gz RFQLPYAQQWYDRL-UHFFFAOYSA-N 1 2 288.395 1.921 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)NCC1(C#N)CCCCC1 ZINC001548729899 967795606 /nfs/dbraw/zinc/79/56/06/967795606.db2.gz YXWHSAOQQNRPGL-UHFFFAOYSA-N 1 2 274.368 1.943 20 30 CDEDLO N#Cc1ccc(NC2CC[NH+]([C@@H]3CCOC3=O)CC2)nc1 ZINC001458262332 969276789 /nfs/dbraw/zinc/27/67/89/969276789.db2.gz BKBWJHZKMZALKH-CYBMUJFWSA-N 1 2 286.335 1.145 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnn2ccccc12 ZINC001418506398 973912199 /nfs/dbraw/zinc/91/21/99/973912199.db2.gz MBLUAQCKUIDXQN-UHFFFAOYSA-N 1 2 292.770 1.748 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnn2ccccc12 ZINC001418506398 973912206 /nfs/dbraw/zinc/91/22/06/973912206.db2.gz MBLUAQCKUIDXQN-UHFFFAOYSA-N 1 2 292.770 1.748 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](C)Oc1ccccn1 ZINC001418512434 973918008 /nfs/dbraw/zinc/91/80/08/973918008.db2.gz NMQBRTQECLQYJY-LBPRGKRZSA-N 1 2 297.786 1.649 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](C)Oc1ccccn1 ZINC001418512434 973918014 /nfs/dbraw/zinc/91/80/14/973918014.db2.gz NMQBRTQECLQYJY-LBPRGKRZSA-N 1 2 297.786 1.649 20 30 CDEDLO CC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1ccn(C(C)C)n1 ZINC001399694780 976648092 /nfs/dbraw/zinc/64/80/92/976648092.db2.gz UPRWEKATSBJENC-CYBMUJFWSA-N 1 2 291.399 1.562 20 30 CDEDLO CC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1ccn(C(C)C)n1 ZINC001399694780 976648096 /nfs/dbraw/zinc/64/80/96/976648096.db2.gz UPRWEKATSBJENC-CYBMUJFWSA-N 1 2 291.399 1.562 20 30 CDEDLO C[C@H](C#N)C(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1 ZINC001399998390 976797041 /nfs/dbraw/zinc/79/70/41/976797041.db2.gz RJJMITHJVIOWEU-CYBMUJFWSA-N 1 2 296.374 1.799 20 30 CDEDLO C[C@H](C#N)C(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC001399998390 976797053 /nfs/dbraw/zinc/79/70/53/976797053.db2.gz RJJMITHJVIOWEU-CYBMUJFWSA-N 1 2 296.374 1.799 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc(C)n[nH]1 ZINC001381488895 976852820 /nfs/dbraw/zinc/85/28/20/976852820.db2.gz HUWUZUBRAOYRLC-JTQLQIEISA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(C)n[nH]1 ZINC001381488895 976852830 /nfs/dbraw/zinc/85/28/30/976852830.db2.gz HUWUZUBRAOYRLC-JTQLQIEISA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NCC[NH2+]Cc1cnsn1 ZINC001132653084 1163416604 /nfs/dbraw/zinc/41/66/04/1163416604.db2.gz DTZATUKXPKZRON-JTQLQIEISA-N 1 2 268.386 1.346 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NCC[NH2+]Cc1nn(C)cc1Cl ZINC001132652967 1163426493 /nfs/dbraw/zinc/42/64/93/1163426493.db2.gz ATSFWCKWJRTJCV-NSHDSACASA-N 1 2 298.818 1.882 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CCC([NH2+]Cc2c[nH]nn2)CC1 ZINC001575077697 1171106405 /nfs/dbraw/zinc/10/64/05/1171106405.db2.gz AGWJSVDDDFWNFI-UHFFFAOYSA-N 1 2 291.399 1.488 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CCC([NH2+]Cc2cn[nH]n2)CC1 ZINC001575077697 1171106411 /nfs/dbraw/zinc/10/64/11/1171106411.db2.gz AGWJSVDDDFWNFI-UHFFFAOYSA-N 1 2 291.399 1.488 20 30 CDEDLO N#C[C@H]1CN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CCO1 ZINC000601041224 342460860 /nfs/dbraw/zinc/46/08/60/342460860.db2.gz VYPNASCVYFDNCV-ZDUSSCGKSA-N 1 2 282.303 1.441 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000586773507 342468377 /nfs/dbraw/zinc/46/83/77/342468377.db2.gz QUAFWEUVXZWNQK-LBPRGKRZSA-N 1 2 278.308 1.797 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000586773507 342468378 /nfs/dbraw/zinc/46/83/78/342468378.db2.gz QUAFWEUVXZWNQK-LBPRGKRZSA-N 1 2 278.308 1.797 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1ccccc1Cl ZINC000589827829 342514907 /nfs/dbraw/zinc/51/49/07/342514907.db2.gz PCGBSAJKPISTRA-AWEZNQCLSA-N 1 2 295.770 1.679 20 30 CDEDLO C=CCCOCC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616868473 342568175 /nfs/dbraw/zinc/56/81/75/342568175.db2.gz OSQDKHLYTIPCTL-CYBMUJFWSA-N 1 2 295.383 1.189 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H](C)O1 ZINC000329687222 361763966 /nfs/dbraw/zinc/76/39/66/361763966.db2.gz FUOWFOQZQZHHBC-GMTAPVOTSA-N 1 2 278.356 1.290 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H](C)O1 ZINC000329687222 361763973 /nfs/dbraw/zinc/76/39/73/361763973.db2.gz FUOWFOQZQZHHBC-GMTAPVOTSA-N 1 2 278.356 1.290 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N1CCn2c[nH+]cc2C1 ZINC000590599139 342579617 /nfs/dbraw/zinc/57/96/17/342579617.db2.gz ITFUZZJOEPEPQS-OAHLLOKOSA-N 1 2 296.330 1.485 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000590755486 342588010 /nfs/dbraw/zinc/58/80/10/342588010.db2.gz FHYQRVHGTMLBPE-GVXVVHGQSA-N 1 2 255.337 1.473 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CC[C@H](F)C1 ZINC000590755486 342588011 /nfs/dbraw/zinc/58/80/11/342588011.db2.gz FHYQRVHGTMLBPE-GVXVVHGQSA-N 1 2 255.337 1.473 20 30 CDEDLO CCC[C@@H](C#N)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000608853456 342078530 /nfs/dbraw/zinc/07/85/30/342078530.db2.gz HPNUPFWWHIHSBK-LBPRGKRZSA-N 1 2 270.336 1.994 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000364841042 342598036 /nfs/dbraw/zinc/59/80/36/342598036.db2.gz FDOAKGDRTWXQKM-HOCLYGCPSA-N 1 2 296.411 1.148 20 30 CDEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cccc(C#N)n1 ZINC000590874900 342602200 /nfs/dbraw/zinc/60/22/00/342602200.db2.gz KVPUAIWQQFPYIK-SNVBAGLBSA-N 1 2 269.308 1.661 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000591053702 342616143 /nfs/dbraw/zinc/61/61/43/342616143.db2.gz AKOBLXJIZOIRQA-QWHCGFSZSA-N 1 2 280.368 1.191 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000591053702 342616144 /nfs/dbraw/zinc/61/61/44/342616144.db2.gz AKOBLXJIZOIRQA-QWHCGFSZSA-N 1 2 280.368 1.191 20 30 CDEDLO CS(=O)(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000125144191 187171602 /nfs/dbraw/zinc/17/16/02/187171602.db2.gz ZCYRAUARTSNVJZ-UHFFFAOYSA-N 1 2 299.421 1.087 20 30 CDEDLO CS(=O)(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000125144191 187171603 /nfs/dbraw/zinc/17/16/03/187171603.db2.gz ZCYRAUARTSNVJZ-UHFFFAOYSA-N 1 2 299.421 1.087 20 30 CDEDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC(=O)NCC#N ZINC000611555348 346823271 /nfs/dbraw/zinc/82/32/71/346823271.db2.gz YXNWLRXMVMCETL-BDAKNGLRSA-N 1 2 263.263 1.289 20 30 CDEDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CC(=O)NCC#N ZINC000611555348 346823275 /nfs/dbraw/zinc/82/32/75/346823275.db2.gz YXNWLRXMVMCETL-BDAKNGLRSA-N 1 2 263.263 1.289 20 30 CDEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@@H]1CNc2ccnn2C1 ZINC000619264542 342152745 /nfs/dbraw/zinc/15/27/45/342152745.db2.gz IRRKOVSJNOZYNY-AWEZNQCLSA-N 1 2 296.378 1.736 20 30 CDEDLO N#CCC[N@H+](Cc1ccccn1)C[C@@H]1CNc2ccnn2C1 ZINC000619264542 342152746 /nfs/dbraw/zinc/15/27/46/342152746.db2.gz IRRKOVSJNOZYNY-AWEZNQCLSA-N 1 2 296.378 1.736 20 30 CDEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)c1C#N ZINC000592152219 342669072 /nfs/dbraw/zinc/66/90/72/342669072.db2.gz VLOSHEXIXUFHKE-INIZCTEOSA-N 1 2 299.330 1.195 20 30 CDEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@](O)(CC#N)C2)c1C#N ZINC000592152219 342669073 /nfs/dbraw/zinc/66/90/73/342669073.db2.gz VLOSHEXIXUFHKE-INIZCTEOSA-N 1 2 299.330 1.195 20 30 CDEDLO C=CCCCCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000351680857 361859212 /nfs/dbraw/zinc/85/92/12/361859212.db2.gz VQQNOJCNBVEIPA-UHFFFAOYSA-N 1 2 283.416 1.753 20 30 CDEDLO C=CCCCCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000351680857 361859217 /nfs/dbraw/zinc/85/92/17/361859217.db2.gz VQQNOJCNBVEIPA-UHFFFAOYSA-N 1 2 283.416 1.753 20 30 CDEDLO Cc1cc2[nH+]cn(C[C@H](O)CN(C)CC#N)c2cc1C ZINC000068971747 342183667 /nfs/dbraw/zinc/18/36/67/342183667.db2.gz VBYJHWVATWXTON-CYBMUJFWSA-N 1 2 272.352 1.469 20 30 CDEDLO COC(=O)[C@H]([NH2+]CCCC#N)[C@H]1CCC[C@@H](OC)C1 ZINC000593102973 342768062 /nfs/dbraw/zinc/76/80/62/342768062.db2.gz GHIAPJXBVFJEMA-YNEHKIRRSA-N 1 2 268.357 1.627 20 30 CDEDLO C[C@@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccncc1 ZINC000593154364 342774137 /nfs/dbraw/zinc/77/41/37/342774137.db2.gz JQJJZCWPGVBOQV-SWLSCSKDSA-N 1 2 274.368 1.535 20 30 CDEDLO CC[C@@H](C#N)N(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000594094549 342873436 /nfs/dbraw/zinc/87/34/36/342873436.db2.gz MIDVJBWVMXKWAW-ZDUSSCGKSA-N 1 2 270.336 1.946 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1cscn1 ZINC000272925017 365703949 /nfs/dbraw/zinc/70/39/49/365703949.db2.gz YSFKSXLJWZQVRR-SECBINFHSA-N 1 2 260.384 1.395 20 30 CDEDLO CCNC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076153831 342319548 /nfs/dbraw/zinc/31/95/48/342319548.db2.gz KPYUAJKKZPSXGC-LSDHHAIUSA-N 1 2 271.364 1.894 20 30 CDEDLO CCNC(=O)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076153831 342319549 /nfs/dbraw/zinc/31/95/49/342319549.db2.gz KPYUAJKKZPSXGC-LSDHHAIUSA-N 1 2 271.364 1.894 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)NCc2cccs2)C1 ZINC000595619400 343111061 /nfs/dbraw/zinc/11/10/61/343111061.db2.gz ZIWOGTZYMKGZSJ-GFCCVEGCSA-N 1 2 277.393 1.990 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](CC(=O)NCc2cccs2)C1 ZINC000595619400 343111062 /nfs/dbraw/zinc/11/10/62/343111062.db2.gz ZIWOGTZYMKGZSJ-GFCCVEGCSA-N 1 2 277.393 1.990 20 30 CDEDLO COCc1noc(C[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595621903 343111525 /nfs/dbraw/zinc/11/15/25/343111525.db2.gz ZKISVTWPOGTYLW-SNVBAGLBSA-N 1 2 250.302 1.342 20 30 CDEDLO COCc1noc(C[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595621903 343111526 /nfs/dbraw/zinc/11/15/26/343111526.db2.gz ZKISVTWPOGTYLW-SNVBAGLBSA-N 1 2 250.302 1.342 20 30 CDEDLO Cn1cc(C[N@H+](C)CCCOc2cccc(C#N)c2)nn1 ZINC000595760912 343144101 /nfs/dbraw/zinc/14/41/01/343144101.db2.gz XDMRETHNYMZUSW-UHFFFAOYSA-N 1 2 285.351 1.588 20 30 CDEDLO Cn1cc(C[N@@H+](C)CCCOc2cccc(C#N)c2)nn1 ZINC000595760912 343144103 /nfs/dbraw/zinc/14/41/03/343144103.db2.gz XDMRETHNYMZUSW-UHFFFAOYSA-N 1 2 285.351 1.588 20 30 CDEDLO C#CCOc1cc(F)ccc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081454427 342369348 /nfs/dbraw/zinc/36/93/48/342369348.db2.gz SPNBHAIHMWTTKL-AWEZNQCLSA-N 1 2 292.310 1.107 20 30 CDEDLO C#CCOc1cc(F)ccc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081454427 342369349 /nfs/dbraw/zinc/36/93/49/342369349.db2.gz SPNBHAIHMWTTKL-AWEZNQCLSA-N 1 2 292.310 1.107 20 30 CDEDLO N#Cc1cc(C(=O)NCCCn2cc[nH+]c2)ccc1F ZINC000082271811 342375506 /nfs/dbraw/zinc/37/55/06/342375506.db2.gz XDZFGRYHRFKDFR-UHFFFAOYSA-N 1 2 272.283 1.714 20 30 CDEDLO C[C@@H]1C[N@H+](CCNc2cccnc2C#N)[C@H](C)CO1 ZINC000596430740 343319015 /nfs/dbraw/zinc/31/90/15/343319015.db2.gz OKGZPSRWAYVVSD-VXGBXAGGSA-N 1 2 260.341 1.474 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNc2cccnc2C#N)[C@H](C)CO1 ZINC000596430740 343319016 /nfs/dbraw/zinc/31/90/16/343319016.db2.gz OKGZPSRWAYVVSD-VXGBXAGGSA-N 1 2 260.341 1.474 20 30 CDEDLO C=CCCSCCNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000596413297 343315448 /nfs/dbraw/zinc/31/54/48/343315448.db2.gz JWPOATPWTFTZPK-LLVKDONJSA-N 1 2 282.413 1.412 20 30 CDEDLO C=CCCSCCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000596413297 343315449 /nfs/dbraw/zinc/31/54/49/343315449.db2.gz JWPOATPWTFTZPK-LLVKDONJSA-N 1 2 282.413 1.412 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/nfs/dbraw/zinc/20/99/96/348209996.db2.gz LKMFTMMKESUDEA-IUODEOHRSA-N 1 2 299.367 1.006 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc2c1C(=O)CC2 ZINC000414121452 362926194 /nfs/dbraw/zinc/92/61/94/362926194.db2.gz GYRNYNFTYJJKCD-CYBMUJFWSA-N 1 2 288.347 1.401 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc2c1C(=O)CC2 ZINC000414121452 362926195 /nfs/dbraw/zinc/92/61/95/362926195.db2.gz GYRNYNFTYJJKCD-CYBMUJFWSA-N 1 2 288.347 1.401 20 30 CDEDLO Cc1ccc([N+](=O)[O-])cc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414122110 362926799 /nfs/dbraw/zinc/92/67/99/362926799.db2.gz FVHLLZKDQWMTEB-CYBMUJFWSA-N 1 2 293.323 1.488 20 30 CDEDLO Cc1ccc([N+](=O)[O-])cc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414122110 362926804 /nfs/dbraw/zinc/92/68/04/362926804.db2.gz FVHLLZKDQWMTEB-CYBMUJFWSA-N 1 2 293.323 1.488 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000029535825 348671361 /nfs/dbraw/zinc/67/13/61/348671361.db2.gz ZYQJRRKNUFCCKK-DZGCQCFKSA-N 1 2 274.364 1.751 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000029535825 348671364 /nfs/dbraw/zinc/67/13/64/348671364.db2.gz ZYQJRRKNUFCCKK-DZGCQCFKSA-N 1 2 274.364 1.751 20 30 CDEDLO C=CCNC(=O)CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000033477226 348698426 /nfs/dbraw/zinc/69/84/26/348698426.db2.gz VORIHMBCPGMTIP-TWGQIWQCSA-N 1 2 299.418 1.620 20 30 CDEDLO C=CCNC(=O)C[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000033477226 348698429 /nfs/dbraw/zinc/69/84/29/348698429.db2.gz VORIHMBCPGMTIP-TWGQIWQCSA-N 1 2 299.418 1.620 20 30 CDEDLO O=C(NCC#Cc1ccccc1)NCCNc1cccc[nH+]1 ZINC000047500755 348811785 /nfs/dbraw/zinc/81/17/85/348811785.db2.gz VPSLFJMQBFUIDF-UHFFFAOYSA-N 1 2 294.358 1.844 20 30 CDEDLO NC(=[NH+]OC[C@@H]1CNC(=O)O1)c1cccc(Cl)c1 ZINC000263846440 362946698 /nfs/dbraw/zinc/94/66/98/362946698.db2.gz BCFFWUJOHWCFCB-VIFPVBQESA-N 1 2 269.688 1.085 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2cccc(C#N)n2)[C@@H](C(N)=O)C1 ZINC000602626495 350133362 /nfs/dbraw/zinc/13/33/62/350133362.db2.gz ZERVMHVUBXBVQB-GXFFZTMASA-N 1 2 258.325 1.039 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2cccc(C#N)n2)[C@@H](C(N)=O)C1 ZINC000602626495 350133364 /nfs/dbraw/zinc/13/33/64/350133364.db2.gz ZERVMHVUBXBVQB-GXFFZTMASA-N 1 2 258.325 1.039 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)n1 ZINC000602674667 350140485 /nfs/dbraw/zinc/14/04/85/350140485.db2.gz HCXOLNDDUOJZRD-SNVBAGLBSA-N 1 2 267.279 1.403 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)n1 ZINC000602674667 350140487 /nfs/dbraw/zinc/14/04/87/350140487.db2.gz HCXOLNDDUOJZRD-SNVBAGLBSA-N 1 2 267.279 1.403 20 30 CDEDLO Cc1n[nH]cc1C[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000602943813 350168572 /nfs/dbraw/zinc/16/85/72/350168572.db2.gz RECIBVXYZLMYMI-UHFFFAOYSA-N 1 2 283.335 1.660 20 30 CDEDLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000602943813 350168575 /nfs/dbraw/zinc/16/85/75/350168575.db2.gz RECIBVXYZLMYMI-UHFFFAOYSA-N 1 2 283.335 1.660 20 30 CDEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1(C)C ZINC000110752017 350308402 /nfs/dbraw/zinc/30/84/02/350308402.db2.gz PWXYJCDGUKLLDH-UHFFFAOYSA-N 1 2 293.392 1.273 20 30 CDEDLO C[N@H+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1(C)C ZINC000110752017 350308405 /nfs/dbraw/zinc/30/84/05/350308405.db2.gz PWXYJCDGUKLLDH-UHFFFAOYSA-N 1 2 293.392 1.273 20 30 CDEDLO CN(Cc1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1C#N ZINC000105828398 186073446 /nfs/dbraw/zinc/07/34/46/186073446.db2.gz OPSSNZQJBANPFJ-UHFFFAOYSA-N 1 2 271.280 1.836 20 30 CDEDLO C=CCNc1ncc(C(=O)N[C@@H](C)c2[nH+]ccn2C)s1 ZINC000622182087 351057753 /nfs/dbraw/zinc/05/77/53/351057753.db2.gz UGEZHEPLPXMHKP-VIFPVBQESA-N 1 2 291.380 1.387 20 30 CDEDLO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)c2[nH+]ccn21 ZINC000333442935 362993755 /nfs/dbraw/zinc/99/37/55/362993755.db2.gz WXAVBLYHCHVACV-KXNHARMFSA-N 1 2 273.340 1.880 20 30 CDEDLO Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000292093560 198160244 /nfs/dbraw/zinc/16/02/44/198160244.db2.gz FTENKTTXQPXPNJ-GXFFZTMASA-N 1 2 299.334 1.859 20 30 CDEDLO Cc1nnc([C@H](C)[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000292093560 198160245 /nfs/dbraw/zinc/16/02/45/198160245.db2.gz FTENKTTXQPXPNJ-GXFFZTMASA-N 1 2 299.334 1.859 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000271647690 191258096 /nfs/dbraw/zinc/25/80/96/191258096.db2.gz DPRLPPSQKLZWTJ-VIFPVBQESA-N 1 2 254.280 1.918 20 30 CDEDLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1CCOc1ccccc1C#N ZINC000157149548 188300543 /nfs/dbraw/zinc/30/05/43/188300543.db2.gz HJEGGTDIVNFVHB-UKRRQHHQSA-N 1 2 290.363 1.409 20 30 CDEDLO C[C@@H](O)C[C@@H]1COCC[N@H+]1CCOc1ccccc1C#N ZINC000157149548 188300544 /nfs/dbraw/zinc/30/05/44/188300544.db2.gz HJEGGTDIVNFVHB-UKRRQHHQSA-N 1 2 290.363 1.409 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCOC[C@H]1C[C@H](C)O ZINC000157234991 188305092 /nfs/dbraw/zinc/30/50/92/188305092.db2.gz HXJULKFBBNQBFU-SWLSCSKDSA-N 1 2 290.363 1.539 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCOC[C@H]1C[C@H](C)O ZINC000157234991 188305093 /nfs/dbraw/zinc/30/50/93/188305093.db2.gz HXJULKFBBNQBFU-SWLSCSKDSA-N 1 2 290.363 1.539 20 30 CDEDLO C=CCOCCN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000292742142 198395965 /nfs/dbraw/zinc/39/59/65/198395965.db2.gz HLNJCKYNMKOIGD-OAHLLOKOSA-N 1 2 275.396 1.963 20 30 CDEDLO COC(=O)c1ccc(N2CC[N@H+](CCC#N)[C@H](C)C2)cc1 ZINC000065566634 363314467 /nfs/dbraw/zinc/31/44/67/363314467.db2.gz FLKXHSTWUJWZAX-CYBMUJFWSA-N 1 2 287.363 1.897 20 30 CDEDLO COC(=O)c1ccc(N2CC[N@@H+](CCC#N)[C@H](C)C2)cc1 ZINC000065566634 363314470 /nfs/dbraw/zinc/31/44/70/363314470.db2.gz FLKXHSTWUJWZAX-CYBMUJFWSA-N 1 2 287.363 1.897 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1ccc(F)c(F)c1 ZINC000493191485 366196512 /nfs/dbraw/zinc/19/65/12/366196512.db2.gz UJBBHWMSUVRDQT-KEDPEKRHSA-N 1 2 293.317 1.938 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)cs2)CC[S@]1=O ZINC000336607225 356218913 /nfs/dbraw/zinc/21/89/13/356218913.db2.gz GWTQZYNPAHRGFY-BMLIUANNSA-N 1 2 268.407 1.963 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)cs2)CC[S@]1=O ZINC000336607225 356218915 /nfs/dbraw/zinc/21/89/15/356218915.db2.gz GWTQZYNPAHRGFY-BMLIUANNSA-N 1 2 268.407 1.963 20 30 CDEDLO COc1cc(OC)c(OC)cc1C[NH2+]C[C@H](C)C#N ZINC000048299403 356531671 /nfs/dbraw/zinc/53/16/71/356531671.db2.gz WNSIVIVWQWQRKS-SNVBAGLBSA-N 1 2 264.325 1.962 20 30 CDEDLO CC1=C(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)CCC1 ZINC000328847248 538441976 /nfs/dbraw/zinc/44/19/76/538441976.db2.gz YAZCOYKXNKBZPS-GFCCVEGCSA-N 1 2 268.357 1.136 20 30 CDEDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C#N)o1 ZINC000344184445 356962470 /nfs/dbraw/zinc/96/24/70/356962470.db2.gz AOUPZIDWBCLZOF-UHFFFAOYSA-N 1 2 277.305 1.761 20 30 CDEDLO CC(C)(C#N)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000157377213 358221705 /nfs/dbraw/zinc/22/17/05/358221705.db2.gz LADSBDXBXZUVAN-CYBMUJFWSA-N 1 2 279.384 1.249 20 30 CDEDLO COc1ccccc1/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000493497366 366415064 /nfs/dbraw/zinc/41/50/64/366415064.db2.gz QQISYCIIKQLICA-ZNFPLGDCSA-N 1 2 287.363 1.668 20 30 CDEDLO C[C@@H]1CCN(c2ccnc(C#N)n2)C[C@H]1n1cc[nH+]c1 ZINC000567088969 358626068 /nfs/dbraw/zinc/62/60/68/358626068.db2.gz DVDQBVBZROHVHX-VXGBXAGGSA-N 1 2 268.324 1.632 20 30 CDEDLO Cc1nnc([C@H](C)[NH2+]CCC(=O)Nc2cccc(C#N)c2)o1 ZINC000541684641 358746645 /nfs/dbraw/zinc/74/66/45/358746645.db2.gz ROUQORQWZMRLCJ-JTQLQIEISA-N 1 2 299.334 1.929 20 30 CDEDLO Cc1cc(N2CCN(c3nccnc3C#N)C[C@H]2C)nc[nH+]1 ZINC000301596625 358752458 /nfs/dbraw/zinc/75/24/58/358752458.db2.gz GIFFLMUAVOHQKJ-GFCCVEGCSA-N 1 2 295.350 1.162 20 30 CDEDLO C=CCNC(=O)C[NH2+]Cc1nc(CCC)cs1 ZINC000494200595 366502929 /nfs/dbraw/zinc/50/29/29/366502929.db2.gz FRZKQIWOLMMZQW-UHFFFAOYSA-N 1 2 253.371 1.487 20 30 CDEDLO C[N@H+](CCN1CCCC1=O)Cc1cccc(C#N)c1F ZINC000539250776 358982825 /nfs/dbraw/zinc/98/28/25/358982825.db2.gz KQBDQEPJZADXPT-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO C[N@@H+](CCN1CCCC1=O)Cc1cccc(C#N)c1F ZINC000539250776 358982828 /nfs/dbraw/zinc/98/28/28/358982828.db2.gz KQBDQEPJZADXPT-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO C#CC[NH+]1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000264308073 359308382 /nfs/dbraw/zinc/30/83/82/359308382.db2.gz YXBLJMZGLZQQCR-UHFFFAOYSA-N 1 2 255.321 1.891 20 30 CDEDLO CCN(CC)c1ccc(CNc2ncncc2C#N)c[nH+]1 ZINC000569922303 359269407 /nfs/dbraw/zinc/26/94/07/359269407.db2.gz GRLSGQKUGIPEDZ-UHFFFAOYSA-N 1 2 282.351 1.623 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000269655051 359374287 /nfs/dbraw/zinc/37/42/87/359374287.db2.gz NDHAWECODZKBOA-LLVKDONJSA-N 1 2 292.774 1.387 20 30 CDEDLO C=C(Cl)C[N@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000269655051 359374291 /nfs/dbraw/zinc/37/42/91/359374291.db2.gz NDHAWECODZKBOA-LLVKDONJSA-N 1 2 292.774 1.387 20 30 CDEDLO C#CCSCCNC(=O)NCCNc1cccc[nH+]1 ZINC000265839565 359335509 /nfs/dbraw/zinc/33/55/09/359335509.db2.gz NTDJFZCGCFAWDL-UHFFFAOYSA-N 1 2 278.381 1.159 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1cccc(C(C)=O)c1 ZINC000266894332 359344086 /nfs/dbraw/zinc/34/40/86/359344086.db2.gz DRKOFSOMXGZMIL-UHFFFAOYSA-N 1 2 258.321 1.783 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1cccc(C(C)=O)c1 ZINC000266894332 359344090 /nfs/dbraw/zinc/34/40/90/359344090.db2.gz DRKOFSOMXGZMIL-UHFFFAOYSA-N 1 2 258.321 1.783 20 30 CDEDLO C#CC[N@@H+](CC)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000270762996 359411995 /nfs/dbraw/zinc/41/19/95/359411995.db2.gz YODWZEMFRPSQTB-GFCCVEGCSA-N 1 2 295.180 1.931 20 30 CDEDLO C#CC[N@H+](CC)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000270762996 359411997 /nfs/dbraw/zinc/41/19/97/359411997.db2.gz YODWZEMFRPSQTB-GFCCVEGCSA-N 1 2 295.180 1.931 20 30 CDEDLO Cn1cc(C[NH2+]Cc2ncn(-c3ccccc3)n2)cc1C#N ZINC000339584466 359416141 /nfs/dbraw/zinc/41/61/41/359416141.db2.gz XVMXNLZCYRWRKQ-UHFFFAOYSA-N 1 2 292.346 1.767 20 30 CDEDLO C#CCCCc1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000277503547 359565821 /nfs/dbraw/zinc/56/58/21/359565821.db2.gz JZIYMDQFFDNENZ-LBPRGKRZSA-N 1 2 263.341 1.807 20 30 CDEDLO C#CCCCc1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000277503547 359565824 /nfs/dbraw/zinc/56/58/24/359565824.db2.gz JZIYMDQFFDNENZ-LBPRGKRZSA-N 1 2 263.341 1.807 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(C)Cc1ccc(SC)cc1 ZINC000276923410 359553524 /nfs/dbraw/zinc/55/35/24/359553524.db2.gz HKNUHAJMZAVEQU-UHFFFAOYSA-N 1 2 276.405 1.932 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N(C)Cc1ccc(SC)cc1 ZINC000276923410 359553526 /nfs/dbraw/zinc/55/35/26/359553526.db2.gz HKNUHAJMZAVEQU-UHFFFAOYSA-N 1 2 276.405 1.932 20 30 CDEDLO CSC1(C[N@@H+]2CCN(C3CC3)[C@H](C#N)C2)CCC1 ZINC000365613346 359617484 /nfs/dbraw/zinc/61/74/84/359617484.db2.gz BIWGCFWEUQCXRB-CYBMUJFWSA-N 1 2 265.426 1.944 20 30 CDEDLO CSC1(C[N@H+]2CCN(C3CC3)[C@H](C#N)C2)CCC1 ZINC000365613346 359617491 /nfs/dbraw/zinc/61/74/91/359617491.db2.gz BIWGCFWEUQCXRB-CYBMUJFWSA-N 1 2 265.426 1.944 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCNC1=O ZINC000340217754 359612439 /nfs/dbraw/zinc/61/24/39/359612439.db2.gz CVFNKEMWESRNLF-NSHDSACASA-N 1 2 295.289 1.480 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCNC1=O ZINC000340217754 359612441 /nfs/dbraw/zinc/61/24/41/359612441.db2.gz CVFNKEMWESRNLF-NSHDSACASA-N 1 2 295.289 1.480 20 30 CDEDLO CN(CCC#N)C(=O)CC[N@H+](CC#N)C1CCCC1 ZINC000092797435 360286183 /nfs/dbraw/zinc/28/61/83/360286183.db2.gz SKINYFSUYQUBLU-UHFFFAOYSA-N 1 2 262.357 1.517 20 30 CDEDLO CN(CCC#N)C(=O)CC[N@@H+](CC#N)C1CCCC1 ZINC000092797435 360286185 /nfs/dbraw/zinc/28/61/85/360286185.db2.gz SKINYFSUYQUBLU-UHFFFAOYSA-N 1 2 262.357 1.517 20 30 CDEDLO C=CCn1cc(CNc2cc(C)[nH+]c(C3CC3)n2)nn1 ZINC000515348432 360479368 /nfs/dbraw/zinc/47/93/68/360479368.db2.gz TUQJQZMISMXPRW-UHFFFAOYSA-N 1 2 270.340 1.474 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC[C@H]1CCOC ZINC000365840734 360484175 /nfs/dbraw/zinc/48/41/75/360484175.db2.gz ZYKOWFDBTHWFIX-CQSZACIVSA-N 1 2 284.400 1.148 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOC[C@H]1CCOC ZINC000365840734 360484179 /nfs/dbraw/zinc/48/41/79/360484179.db2.gz ZYKOWFDBTHWFIX-CQSZACIVSA-N 1 2 284.400 1.148 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@](C)(F)C1)C1CC1 ZINC000331774728 360768185 /nfs/dbraw/zinc/76/81/85/360768185.db2.gz BRDCTERDMSUOJH-UONOGXRCSA-N 1 2 267.348 1.619 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@](C)(F)C1)C1CC1 ZINC000331774728 360768190 /nfs/dbraw/zinc/76/81/90/360768190.db2.gz BRDCTERDMSUOJH-UONOGXRCSA-N 1 2 267.348 1.619 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H]([C@@H](C)O)C2)c(C#N)c1C ZINC000168364219 361162231 /nfs/dbraw/zinc/16/22/31/361162231.db2.gz YKPIDRAGAUMALE-PWSUYJOCSA-N 1 2 291.351 1.409 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c(C#N)c1C ZINC000168364219 361162232 /nfs/dbraw/zinc/16/22/32/361162232.db2.gz YKPIDRAGAUMALE-PWSUYJOCSA-N 1 2 291.351 1.409 20 30 CDEDLO C[NH+]1CCN(C(=O)[C@@H](C#N)CCc2ccccc2)CC1 ZINC000433105893 361210797 /nfs/dbraw/zinc/21/07/97/361210797.db2.gz RUKPYEJVIDNRCI-OAHLLOKOSA-N 1 2 271.364 1.533 20 30 CDEDLO C[N@H+](CC(=O)NC(=O)NC(C)(C)C)CC(C)(C)C#N ZINC000433313598 361232431 /nfs/dbraw/zinc/23/24/31/361232431.db2.gz QZVHZPHDEWQZFU-UHFFFAOYSA-N 1 2 268.361 1.092 20 30 CDEDLO C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)CC(C)(C)C#N ZINC000433313598 361232435 /nfs/dbraw/zinc/23/24/35/361232435.db2.gz QZVHZPHDEWQZFU-UHFFFAOYSA-N 1 2 268.361 1.092 20 30 CDEDLO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433329693 361234082 /nfs/dbraw/zinc/23/40/82/361234082.db2.gz ZKVXGERXECZQNL-LLVKDONJSA-N 1 2 282.388 1.338 20 30 CDEDLO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433329693 361234085 /nfs/dbraw/zinc/23/40/85/361234085.db2.gz ZKVXGERXECZQNL-LLVKDONJSA-N 1 2 282.388 1.338 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1cnc(C)s1 ZINC000053153880 361269716 /nfs/dbraw/zinc/26/97/16/361269716.db2.gz LKVLTNIFRYCLBK-SECBINFHSA-N 1 2 251.355 1.021 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cnc(C)s1 ZINC000053153880 361269721 /nfs/dbraw/zinc/26/97/21/361269721.db2.gz LKVLTNIFRYCLBK-SECBINFHSA-N 1 2 251.355 1.021 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@H]2CCOC2)c(C#N)c1C ZINC000155692907 294035592 /nfs/dbraw/zinc/03/55/92/294035592.db2.gz LSCXJAYGXKXYKH-NSHDSACASA-N 1 2 277.324 1.427 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+](C)[C@H]2CCOC2)c(C#N)c1C ZINC000155692907 294035594 /nfs/dbraw/zinc/03/55/94/294035594.db2.gz LSCXJAYGXKXYKH-NSHDSACASA-N 1 2 277.324 1.427 20 30 CDEDLO O=C(NC[C@@H]1CCCSC1)N1CCn2cc[nH+]c2C1 ZINC000329310373 361475315 /nfs/dbraw/zinc/47/53/15/361475315.db2.gz QVXXODUUHDRSNB-NSHDSACASA-N 1 2 280.397 1.756 20 30 CDEDLO C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)[C@@H]1CCOC1 ZINC000329355264 361488421 /nfs/dbraw/zinc/48/84/21/361488421.db2.gz VTAPYHFBVIRBBM-CFVMTHIKSA-N 1 2 296.411 1.869 20 30 CDEDLO C[C@H](NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)[C@@H]1CCOC1 ZINC000329355264 361488427 /nfs/dbraw/zinc/48/84/27/361488427.db2.gz VTAPYHFBVIRBBM-CFVMTHIKSA-N 1 2 296.411 1.869 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000329545183 361541860 /nfs/dbraw/zinc/54/18/60/361541860.db2.gz GLRMNTILRZIEKR-NSHDSACASA-N 1 2 291.355 1.465 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(C#N)cc1 ZINC000570773060 363958886 /nfs/dbraw/zinc/95/88/86/363958886.db2.gz RXBZUKCNWZYDLM-CQSZACIVSA-N 1 2 256.309 1.132 20 30 CDEDLO C=CCN(C)C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000275228301 192966762 /nfs/dbraw/zinc/96/67/62/192966762.db2.gz IXVBZVPKVMCUHK-UHFFFAOYSA-N 1 2 258.325 1.970 20 30 CDEDLO CC#CC[C@H](CO)NC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000645529872 364742765 /nfs/dbraw/zinc/74/27/65/364742765.db2.gz LKOALBDRVGBDFI-VXGBXAGGSA-N 1 2 278.356 1.038 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cc(-c3ccco3)on2)nn1 ZINC000640879503 364713189 /nfs/dbraw/zinc/71/31/89/364713189.db2.gz YVXWUKALDMZMCF-UHFFFAOYSA-N 1 2 297.318 1.687 20 30 CDEDLO C[C@H](NC(=O)c1ccc(C#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000264250128 364763251 /nfs/dbraw/zinc/76/32/51/364763251.db2.gz KUZCRWNMFLTZEJ-STQMWFEESA-N 1 2 287.363 1.397 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000024900313 364765057 /nfs/dbraw/zinc/76/50/57/364765057.db2.gz HNODBWUBJPFDGO-SNVBAGLBSA-N 1 2 293.392 1.507 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000024900313 364765058 /nfs/dbraw/zinc/76/50/58/364765058.db2.gz HNODBWUBJPFDGO-SNVBAGLBSA-N 1 2 293.392 1.507 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C1(C#N)CCCCC1 ZINC000362210329 365149998 /nfs/dbraw/zinc/14/99/98/365149998.db2.gz APGYHWQCBHYGPT-CQSZACIVSA-N 1 2 293.411 1.640 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1Cc1cnc(-c2ccccc2)o1 ZINC001580044533 1172331693 /nfs/dbraw/zinc/33/16/93/1172331693.db2.gz DJGHCIUZDDHCPS-ZDUSSCGKSA-N 1 2 268.320 1.639 20 30 CDEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1cncc(C#N)n1 ZINC000563954644 365359931 /nfs/dbraw/zinc/35/99/31/365359931.db2.gz NHFZABCCJIQTAL-UHFFFAOYSA-N 1 2 296.256 1.743 20 30 CDEDLO C[NH2+]Cc1noc([C@H](C)Oc2ccc(C#N)cc2)n1 ZINC000414645116 241295192 /nfs/dbraw/zinc/29/51/92/241295192.db2.gz PYTXRZNFHFPFMT-VIFPVBQESA-N 1 2 258.281 1.801 20 30 CDEDLO C=CC[N@H+](C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000246212476 260832809 /nfs/dbraw/zinc/83/28/09/260832809.db2.gz BHNXTISMVKVQQE-QWHCGFSZSA-N 1 2 273.398 1.231 20 30 CDEDLO C=CC[N@@H+](C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000246212476 260832812 /nfs/dbraw/zinc/83/28/12/260832812.db2.gz BHNXTISMVKVQQE-QWHCGFSZSA-N 1 2 273.398 1.231 20 30 CDEDLO C=CCOCCCn1c2ccccc2[nH+]c1NC[C@@H](C)O ZINC000358564835 367777654 /nfs/dbraw/zinc/77/76/54/367777654.db2.gz UORXKRCQQUUDIC-CYBMUJFWSA-N 1 2 289.379 1.844 20 30 CDEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)C[C@@H]1CCCO1 ZINC000170688367 368526003 /nfs/dbraw/zinc/52/60/03/368526003.db2.gz WIPYRHKTDZPLPW-NSHDSACASA-N 1 2 279.365 1.669 20 30 CDEDLO C[N@H+](CC(=O)Nc1sccc1C#N)C[C@@H]1CCCO1 ZINC000170688367 368526008 /nfs/dbraw/zinc/52/60/08/368526008.db2.gz WIPYRHKTDZPLPW-NSHDSACASA-N 1 2 279.365 1.669 20 30 CDEDLO C[C@@H]1C[N@H+](CC2(C#N)CC2)C[C@@]2(CCCOC2)O1 ZINC000361618610 368941695 /nfs/dbraw/zinc/94/16/95/368941695.db2.gz JYZDLPLGJGRHSL-TZMCWYRMSA-N 1 2 250.342 1.560 20 30 CDEDLO C[C@@H]1C[N@@H+](CC2(C#N)CC2)C[C@@]2(CCCOC2)O1 ZINC000361618610 368941700 /nfs/dbraw/zinc/94/17/00/368941700.db2.gz JYZDLPLGJGRHSL-TZMCWYRMSA-N 1 2 250.342 1.560 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000363101772 369130726 /nfs/dbraw/zinc/13/07/26/369130726.db2.gz CKVZHVDRJNUETF-KGLIPLIRSA-N 1 2 266.385 1.664 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000363101772 369130730 /nfs/dbraw/zinc/13/07/30/369130730.db2.gz CKVZHVDRJNUETF-KGLIPLIRSA-N 1 2 266.385 1.664 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cc(=O)n2c(C)csc2n1 ZINC000072906426 369148095 /nfs/dbraw/zinc/14/80/95/369148095.db2.gz BYKSNGLXVNCNHZ-UHFFFAOYSA-N 1 2 271.345 1.133 20 30 CDEDLO Cc1nnc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)s1 ZINC000545396161 369215285 /nfs/dbraw/zinc/21/52/85/369215285.db2.gz ZHFHWWOFZHXVCI-ISVAXAHUSA-N 1 2 293.396 1.306 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCSC[C@H]1CO ZINC000330842383 203300880 /nfs/dbraw/zinc/30/08/80/203300880.db2.gz MRZRGBWYYHMULT-CYBMUJFWSA-N 1 2 278.377 1.477 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCSC[C@H]1CO ZINC000330842383 203300881 /nfs/dbraw/zinc/30/08/81/203300881.db2.gz MRZRGBWYYHMULT-CYBMUJFWSA-N 1 2 278.377 1.477 20 30 CDEDLO C#C[C@H](CC)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000490739638 261196976 /nfs/dbraw/zinc/19/69/76/261196976.db2.gz JSDIUHMJPQYRLS-OCCSQVGLSA-N 1 2 264.369 1.158 20 30 CDEDLO CCOC(=O)C[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000050067124 372314741 /nfs/dbraw/zinc/31/47/41/372314741.db2.gz BCBSNTDVRWJASU-UHFFFAOYSA-N 1 2 289.335 1.382 20 30 CDEDLO CCOC(=O)C[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000050067124 372314744 /nfs/dbraw/zinc/31/47/44/372314744.db2.gz BCBSNTDVRWJASU-UHFFFAOYSA-N 1 2 289.335 1.382 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000578657483 372534828 /nfs/dbraw/zinc/53/48/28/372534828.db2.gz NPCXTFVXWDLMEG-XIRDDKMYSA-N 1 2 285.391 1.924 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN(C)C[C@@H]1CC ZINC000579802792 372640199 /nfs/dbraw/zinc/64/01/99/372640199.db2.gz PHMHCICFHKNJIA-AWEZNQCLSA-N 1 2 267.417 1.437 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN(C)C[C@@H]1CC ZINC000579802792 372640204 /nfs/dbraw/zinc/64/02/04/372640204.db2.gz PHMHCICFHKNJIA-AWEZNQCLSA-N 1 2 267.417 1.437 20 30 CDEDLO N#CCN1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000103882424 261335320 /nfs/dbraw/zinc/33/53/20/261335320.db2.gz SJHLXUCHROJEKT-UHFFFAOYSA-N 1 2 258.300 1.339 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042242610 372945007 /nfs/dbraw/zinc/94/50/07/372945007.db2.gz WQWCURGUVYRANN-MJBXVCDLSA-N 1 2 268.401 1.909 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042242610 372945012 /nfs/dbraw/zinc/94/50/12/372945012.db2.gz WQWCURGUVYRANN-MJBXVCDLSA-N 1 2 268.401 1.909 20 30 CDEDLO Cc1noc([C@H](C)[NH2+]CC(=O)NCc2ccc(C#N)cc2)n1 ZINC000348097179 372995138 /nfs/dbraw/zinc/99/51/38/372995138.db2.gz TXYRLISCWRVABR-JTQLQIEISA-N 1 2 299.334 1.217 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000045911146 373060795 /nfs/dbraw/zinc/06/07/95/373060795.db2.gz OWHKKKRIFWABRK-UHFFFAOYSA-N 1 2 273.336 1.539 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000045911146 373060804 /nfs/dbraw/zinc/06/08/04/373060804.db2.gz OWHKKKRIFWABRK-UHFFFAOYSA-N 1 2 273.336 1.539 20 30 CDEDLO Cc1ccnc(N2CC[NH+](Cc3ccccn3)CC2)c1C#N ZINC000272987514 373681593 /nfs/dbraw/zinc/68/15/93/373681593.db2.gz FBSYHANSPLURHQ-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO C[N@H+](CC(=O)Nc1sccc1C#N)[C@@H]1CCOC1 ZINC000106883479 373787862 /nfs/dbraw/zinc/78/78/62/373787862.db2.gz KNUGGNXXZLBHCZ-SNVBAGLBSA-N 1 2 265.338 1.279 20 30 CDEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)[C@@H]1CCOC1 ZINC000106883479 373787864 /nfs/dbraw/zinc/78/78/64/373787864.db2.gz KNUGGNXXZLBHCZ-SNVBAGLBSA-N 1 2 265.338 1.279 20 30 CDEDLO N#Cc1cccc(C(=O)N2CCc3[nH]c[nH+]c3C2)c1 ZINC000065164069 374255682 /nfs/dbraw/zinc/25/56/82/374255682.db2.gz HBFOGCOSIMHWSU-UHFFFAOYSA-N 1 2 252.277 1.480 20 30 CDEDLO N#Cc1cccc(C(=O)N2CCc3[nH+]c[nH]c3C2)c1 ZINC000065164069 374255687 /nfs/dbraw/zinc/25/56/87/374255687.db2.gz HBFOGCOSIMHWSU-UHFFFAOYSA-N 1 2 252.277 1.480 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000369047782 374346608 /nfs/dbraw/zinc/34/66/08/374346608.db2.gz LLRDRCHXVQPUAF-OAHLLOKOSA-N 1 2 271.320 1.633 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000369047782 374346613 /nfs/dbraw/zinc/34/66/13/374346613.db2.gz LLRDRCHXVQPUAF-OAHLLOKOSA-N 1 2 271.320 1.633 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)Nc1ccc(C#N)cc1 ZINC000080526779 374470095 /nfs/dbraw/zinc/47/00/95/374470095.db2.gz MPSKRGPMPOBMGC-UHFFFAOYSA-N 1 2 255.281 1.945 20 30 CDEDLO N#Cc1ncccc1N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000377994327 374625460 /nfs/dbraw/zinc/62/54/60/374625460.db2.gz SVTMHLPKLQPUMH-CQSZACIVSA-N 1 2 283.335 1.626 20 30 CDEDLO Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1C#N ZINC000276984125 374764662 /nfs/dbraw/zinc/76/46/62/374764662.db2.gz UFWSRZJDSRSHBW-LSDHHAIUSA-N 1 2 258.369 1.613 20 30 CDEDLO C[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)C[C@H](C)[S@@]1=O ZINC000331148577 374895317 /nfs/dbraw/zinc/89/53/17/374895317.db2.gz HGZKLHPCRREULX-NXCRSVRDSA-N 1 2 292.404 1.778 20 30 CDEDLO C[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)C[C@H](C)[S@@]1=O ZINC000331148577 374895328 /nfs/dbraw/zinc/89/53/28/374895328.db2.gz HGZKLHPCRREULX-NXCRSVRDSA-N 1 2 292.404 1.778 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000280626482 375008564 /nfs/dbraw/zinc/00/85/64/375008564.db2.gz LPTMVLRVOOCDEE-SNVBAGLBSA-N 1 2 272.308 1.722 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1C#N ZINC000282311820 375076882 /nfs/dbraw/zinc/07/68/82/375076882.db2.gz TWOITGFYGQWJJP-CYBMUJFWSA-N 1 2 294.376 1.186 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1C#N ZINC000282311820 375076890 /nfs/dbraw/zinc/07/68/90/375076890.db2.gz TWOITGFYGQWJJP-CYBMUJFWSA-N 1 2 294.376 1.186 20 30 CDEDLO CC(C)[C@@H](NC(=O)c1c[nH]c(C#N)c1)c1[nH]cc[nH+]1 ZINC000283105221 375109367 /nfs/dbraw/zinc/10/93/67/375109367.db2.gz VAVDWWGHTISFEX-LLVKDONJSA-N 1 2 257.297 1.737 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000125879041 375061540 /nfs/dbraw/zinc/06/15/40/375061540.db2.gz MWHHLPSLPMCCFV-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO O=C1OC[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)CCN12 ZINC000359980209 375490909 /nfs/dbraw/zinc/49/09/09/375490909.db2.gz XWEWTJOKWODRFJ-CQSZACIVSA-N 1 2 274.295 1.314 20 30 CDEDLO O=C1OC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)CCN12 ZINC000359980209 375490913 /nfs/dbraw/zinc/49/09/13/375490913.db2.gz XWEWTJOKWODRFJ-CQSZACIVSA-N 1 2 274.295 1.314 20 30 CDEDLO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000162932560 375560696 /nfs/dbraw/zinc/56/06/96/375560696.db2.gz RMSZPULRORYMDI-ZDUSSCGKSA-N 1 2 277.755 1.922 20 30 CDEDLO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000162932560 375560700 /nfs/dbraw/zinc/56/07/00/375560700.db2.gz RMSZPULRORYMDI-ZDUSSCGKSA-N 1 2 277.755 1.922 20 30 CDEDLO CCn1ncnc1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353596053 375693164 /nfs/dbraw/zinc/69/31/64/375693164.db2.gz MCKVXBNCFYPBTM-AWEZNQCLSA-N 1 2 267.336 1.947 20 30 CDEDLO Cc1cc(N2CCC[C@@H](OC(=O)N(C)C)C2)c(C#N)c[nH+]1 ZINC000496305943 375732994 /nfs/dbraw/zinc/73/29/94/375732994.db2.gz LMWZXEBRGNIQIM-CYBMUJFWSA-N 1 2 288.351 1.929 20 30 CDEDLO CC(C)(C(=O)N[C@H]1CCn2cc[nH+]c2C1)N1CCOCC1 ZINC000328678231 375925825 /nfs/dbraw/zinc/92/58/25/375925825.db2.gz MIXGMMVSHBVONJ-LBPRGKRZSA-N 1 2 292.383 1.265 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCCCO1 ZINC000328694459 375930672 /nfs/dbraw/zinc/93/06/72/375930672.db2.gz KAGITHLMYZKRCQ-UHFFFAOYSA-N 1 2 271.361 1.039 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCCCO1 ZINC000328694459 375930679 /nfs/dbraw/zinc/93/06/79/375930679.db2.gz KAGITHLMYZKRCQ-UHFFFAOYSA-N 1 2 271.361 1.039 20 30 CDEDLO C[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)[C@H]1CCOC1 ZINC000328763421 375950026 /nfs/dbraw/zinc/95/00/26/375950026.db2.gz FRPPLSFCRQMZMN-AVGNSLFASA-N 1 2 292.383 1.548 20 30 CDEDLO C[C@@H]1C[NH+](CCN(C)C(=O)c2ccc(C#N)[nH]2)C[C@@H](C)O1 ZINC000345398087 376030467 /nfs/dbraw/zinc/03/04/67/376030467.db2.gz XTDPCHDSSPRBFQ-VXGBXAGGSA-N 1 2 290.367 1.068 20 30 CDEDLO C=C(C)CCc1noc([C@@H]2C[N@H+](CC)CCO2)n1 ZINC000420499482 376358908 /nfs/dbraw/zinc/35/89/08/376358908.db2.gz CWFZOLMCMXVPHG-NSHDSACASA-N 1 2 251.330 1.972 20 30 CDEDLO C=C(C)CCc1noc([C@@H]2C[N@@H+](CC)CCO2)n1 ZINC000420499482 376358914 /nfs/dbraw/zinc/35/89/14/376358914.db2.gz CWFZOLMCMXVPHG-NSHDSACASA-N 1 2 251.330 1.972 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+](C)C(C)(C)C(N)=O ZINC000295680867 376671662 /nfs/dbraw/zinc/67/16/62/376671662.db2.gz KJEKGOSPVQWCDI-UHFFFAOYSA-N 1 2 261.325 1.263 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+](C)C(C)(C)C(N)=O ZINC000295680867 376671671 /nfs/dbraw/zinc/67/16/71/376671671.db2.gz KJEKGOSPVQWCDI-UHFFFAOYSA-N 1 2 261.325 1.263 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(CCC#N)CC2)C1 ZINC000572238635 377796758 /nfs/dbraw/zinc/79/67/58/377796758.db2.gz VGXLKFNQCNHNSZ-AWEZNQCLSA-N 1 2 294.399 1.042 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNC(=O)N2CCC(CCC#N)CC2)C1 ZINC000572238635 377796762 /nfs/dbraw/zinc/79/67/62/377796762.db2.gz VGXLKFNQCNHNSZ-AWEZNQCLSA-N 1 2 294.399 1.042 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181560981 377986395 /nfs/dbraw/zinc/98/63/95/377986395.db2.gz UHLOLPYVZBSFMZ-GOEBONIOSA-N 1 2 288.391 1.621 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181560981 377986403 /nfs/dbraw/zinc/98/64/03/377986403.db2.gz UHLOLPYVZBSFMZ-GOEBONIOSA-N 1 2 288.391 1.621 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000192238022 378178175 /nfs/dbraw/zinc/17/81/75/378178175.db2.gz LUVOWPFWKOWNEP-OLZOCXBDSA-N 1 2 256.349 1.918 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000192238022 378178177 /nfs/dbraw/zinc/17/81/77/378178177.db2.gz LUVOWPFWKOWNEP-OLZOCXBDSA-N 1 2 256.349 1.918 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1cn(-c2ccccc2C)nn1 ZINC000289967673 378355444 /nfs/dbraw/zinc/35/54/44/378355444.db2.gz VWLLTUUUBAHWDM-GFCCVEGCSA-N 1 2 258.325 1.212 20 30 CDEDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC1(C#N)CC1 ZINC000343323203 378466125 /nfs/dbraw/zinc/46/61/25/378466125.db2.gz IYPVKIIHCVPCQU-LLVKDONJSA-N 1 2 293.392 1.631 20 30 CDEDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC1(C#N)CC1 ZINC000343323203 378466133 /nfs/dbraw/zinc/46/61/33/378466133.db2.gz IYPVKIIHCVPCQU-LLVKDONJSA-N 1 2 293.392 1.631 20 30 CDEDLO C#C[C@H](NC(=O)[C@H](c1c[nH+]cn1C)N(C)C)C(C)(C)C ZINC000291796299 378478329 /nfs/dbraw/zinc/47/83/29/378478329.db2.gz WQICURWFUKBJMW-STQMWFEESA-N 1 2 276.384 1.187 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N(C)Cc1ccc(OC)cc1 ZINC000293100586 378538006 /nfs/dbraw/zinc/53/80/06/378538006.db2.gz LAKIERSPXSPRPF-UHFFFAOYSA-N 1 2 274.364 1.609 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N(C)Cc1ccc(OC)cc1 ZINC000293100586 378538010 /nfs/dbraw/zinc/53/80/10/378538010.db2.gz LAKIERSPXSPRPF-UHFFFAOYSA-N 1 2 274.364 1.609 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1scnc1C ZINC000066565697 378679969 /nfs/dbraw/zinc/67/99/69/378679969.db2.gz HXAFGVURQYKKAH-SNVBAGLBSA-N 1 2 296.396 1.284 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1scnc1C ZINC000066565697 378679976 /nfs/dbraw/zinc/67/99/76/378679976.db2.gz HXAFGVURQYKKAH-SNVBAGLBSA-N 1 2 296.396 1.284 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000296703288 378744643 /nfs/dbraw/zinc/74/46/43/378744643.db2.gz MPIUPSHNOCBBMJ-NWDGAFQWSA-N 1 2 250.346 1.659 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000296703288 378744648 /nfs/dbraw/zinc/74/46/48/378744648.db2.gz MPIUPSHNOCBBMJ-NWDGAFQWSA-N 1 2 250.346 1.659 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cccc(C#N)c1 ZINC000279273833 194361604 /nfs/dbraw/zinc/36/16/04/194361604.db2.gz JUIXPUNIMLBDON-ZDUSSCGKSA-N 1 2 287.363 1.351 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1ccsc1C(=O)OC ZINC000279313384 194381061 /nfs/dbraw/zinc/38/10/61/194381061.db2.gz ROTYQALQSWJPHF-UHFFFAOYSA-N 1 2 294.376 1.817 20 30 CDEDLO C#CC(C)(C)[N@H+](C)CC(=O)Nc1ccsc1C(=O)OC ZINC000279313384 194381062 /nfs/dbraw/zinc/38/10/62/194381062.db2.gz ROTYQALQSWJPHF-UHFFFAOYSA-N 1 2 294.376 1.817 20 30 CDEDLO C=CC[C@@H](C)NC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657649944 412961340 /nfs/dbraw/zinc/96/13/40/412961340.db2.gz XCPYRNZPCNUTEC-SNVBAGLBSA-N 1 2 286.335 1.662 20 30 CDEDLO CCn1cc[nH+]c1CNC(=O)Cc1c(F)cccc1C#N ZINC000452573794 252098922 /nfs/dbraw/zinc/09/89/22/252098922.db2.gz YAPNGPFTAKAXIN-UHFFFAOYSA-N 1 2 286.310 1.773 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)/C=C\c2ccc(C#N)cc2)C1 ZINC000491318529 253074752 /nfs/dbraw/zinc/07/47/52/253074752.db2.gz FVWMKBIMQCWPLU-IDTUSYRASA-N 1 2 285.347 1.018 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)/C=C\c2ccc(C#N)cc2)C1 ZINC000491318529 253074754 /nfs/dbraw/zinc/07/47/54/253074754.db2.gz FVWMKBIMQCWPLU-IDTUSYRASA-N 1 2 285.347 1.018 20 30 CDEDLO COC[C@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCC1)c1ccco1 ZINC000346537757 533098794 /nfs/dbraw/zinc/09/87/94/533098794.db2.gz XKGJOXAZXAFHKE-NEPJUHHUSA-N 1 2 291.351 1.508 20 30 CDEDLO C[C@@H](NC(=O)N[C@H]1CCOC[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000330336360 533106885 /nfs/dbraw/zinc/10/68/85/533106885.db2.gz SIISVBXWJLHYNT-MQYQWHSLSA-N 1 2 299.415 1.024 20 30 CDEDLO C#Cc1ccc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000289064878 197225480 /nfs/dbraw/zinc/22/54/80/197225480.db2.gz JKNBTALPTDMUGU-INIZCTEOSA-N 1 2 289.400 1.819 20 30 CDEDLO C#Cc1ccc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000289064878 197225482 /nfs/dbraw/zinc/22/54/82/197225482.db2.gz JKNBTALPTDMUGU-INIZCTEOSA-N 1 2 289.400 1.819 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](CCC)C(=O)OCC)C1=O ZINC000281439150 195241232 /nfs/dbraw/zinc/24/12/32/195241232.db2.gz TUXDTEJLPODKIC-QWHCGFSZSA-N 1 2 282.384 1.437 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](CCC)C(=O)OCC)C1=O ZINC000281439150 195241233 /nfs/dbraw/zinc/24/12/33/195241233.db2.gz TUXDTEJLPODKIC-QWHCGFSZSA-N 1 2 282.384 1.437 20 30 CDEDLO C=CCCS(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371961220 262201205 /nfs/dbraw/zinc/20/12/05/262201205.db2.gz QIVPXCYZNARVTP-SNVBAGLBSA-N 1 2 255.343 1.453 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc(C#N)c1 ZINC000034674313 390212431 /nfs/dbraw/zinc/21/24/31/390212431.db2.gz FAETZCQHJZXVCE-ZDUSSCGKSA-N 1 2 259.309 1.143 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc(C#N)c1 ZINC000034674313 390212435 /nfs/dbraw/zinc/21/24/35/390212435.db2.gz FAETZCQHJZXVCE-ZDUSSCGKSA-N 1 2 259.309 1.143 20 30 CDEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000298661936 390414691 /nfs/dbraw/zinc/41/46/91/390414691.db2.gz YAIWDYGEHOHQJY-ZDUSSCGKSA-N 1 2 299.374 1.499 20 30 CDEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000298661936 390414693 /nfs/dbraw/zinc/41/46/93/390414693.db2.gz YAIWDYGEHOHQJY-ZDUSSCGKSA-N 1 2 299.374 1.499 20 30 CDEDLO CCn1nc(C)c(C[NH+]2CCN(CC#N)CC2)c1C ZINC000092936238 390897911 /nfs/dbraw/zinc/89/79/11/390897911.db2.gz XOCTVQMSBPQRGM-UHFFFAOYSA-N 1 2 261.373 1.161 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@H+](Cc1ccncc1)C1CC1)C1CC1 ZINC000122339767 390900440 /nfs/dbraw/zinc/90/04/40/390900440.db2.gz GNGLAYPUMIOLDF-QGZVFWFLSA-N 1 2 298.390 1.854 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@@H+](Cc1ccncc1)C1CC1)C1CC1 ZINC000122339767 390900442 /nfs/dbraw/zinc/90/04/42/390900442.db2.gz GNGLAYPUMIOLDF-QGZVFWFLSA-N 1 2 298.390 1.854 20 30 CDEDLO C[C@H](c1ccccc1)[C@H]([NH2+]CC1(C#N)CC1)C(N)=O ZINC000428833521 390913982 /nfs/dbraw/zinc/91/39/82/390913982.db2.gz IYUDTTBVHUWAAO-YPMHNXCESA-N 1 2 257.337 1.537 20 30 CDEDLO Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)s1 ZINC000329565554 391016693 /nfs/dbraw/zinc/01/66/93/391016693.db2.gz KLWKRYJNHYVMBO-NSHDSACASA-N 1 2 280.397 1.692 20 30 CDEDLO Cc1cnc(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)s1 ZINC000329565554 391016697 /nfs/dbraw/zinc/01/66/97/391016697.db2.gz KLWKRYJNHYVMBO-NSHDSACASA-N 1 2 280.397 1.692 20 30 CDEDLO C#CCO[C@H](C)C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000295355623 391055214 /nfs/dbraw/zinc/05/52/14/391055214.db2.gz CCUAWSFXHLMQDC-NEPJUHHUSA-N 1 2 275.352 1.368 20 30 CDEDLO CO[C@@H]1C[C@H]([NH+]=C([O-])N2CCn3c[nH+]cc3C2)C1(C)C ZINC000329650624 391066342 /nfs/dbraw/zinc/06/63/42/391066342.db2.gz KATCGLCOEDKMKS-NWDGAFQWSA-N 1 2 278.356 1.426 20 30 CDEDLO CO[C@@H]1C[C@H](NC(=O)N2CCn3c[nH+]cc3C2)C1(C)C ZINC000329650624 391066348 /nfs/dbraw/zinc/06/63/48/391066348.db2.gz KATCGLCOEDKMKS-NWDGAFQWSA-N 1 2 278.356 1.426 20 30 CDEDLO CCC1(C)CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000329693804 391084390 /nfs/dbraw/zinc/08/43/90/391084390.db2.gz FEQPNDIYBNYLPY-LLVKDONJSA-N 1 2 262.357 1.844 20 30 CDEDLO CCC1(C)CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000329693804 391084393 /nfs/dbraw/zinc/08/43/93/391084393.db2.gz FEQPNDIYBNYLPY-LLVKDONJSA-N 1 2 262.357 1.844 20 30 CDEDLO N#CC1(F)CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000352481175 391155268 /nfs/dbraw/zinc/15/52/68/391155268.db2.gz DLJBAYQDVKBUBP-UHFFFAOYSA-N 1 2 261.300 1.953 20 30 CDEDLO N#C[C@@H]1COCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000267136051 391188501 /nfs/dbraw/zinc/18/85/01/391188501.db2.gz GIHCBKDYYOOYSM-OAHLLOKOSA-N 1 2 296.330 1.296 20 30 CDEDLO C#CCCCCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000375905902 391204653 /nfs/dbraw/zinc/20/46/53/391204653.db2.gz ZETDDPRRHUPEKO-LSDHHAIUSA-N 1 2 278.396 1.502 20 30 CDEDLO CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccncc1 ZINC000267946892 391206754 /nfs/dbraw/zinc/20/67/54/391206754.db2.gz VOSHIXMQMXZEDS-INIZCTEOSA-N 1 2 286.379 1.712 20 30 CDEDLO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccncc1 ZINC000267946892 391206757 /nfs/dbraw/zinc/20/67/57/391206757.db2.gz VOSHIXMQMXZEDS-INIZCTEOSA-N 1 2 286.379 1.712 20 30 CDEDLO C=C(C)COCCNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000339541638 391313228 /nfs/dbraw/zinc/31/32/28/391313228.db2.gz ASKCXLJUFTWGFB-CYBMUJFWSA-N 1 2 292.383 1.512 20 30 CDEDLO COCC1(C#N)CCN(C(=O)Nc2cc[nH+]cc2C)CC1 ZINC000345978602 391326112 /nfs/dbraw/zinc/32/61/12/391326112.db2.gz JLQZNBFUAQHWLA-UHFFFAOYSA-N 1 2 288.351 1.596 20 30 CDEDLO N#CCN(CC#N)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000346770171 391370922 /nfs/dbraw/zinc/37/09/22/391370922.db2.gz BXWBYMYBYXGVHW-UHFFFAOYSA-N 1 2 265.276 1.362 20 30 CDEDLO C[N@H+](CCC1(C#N)CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000411139619 391395997 /nfs/dbraw/zinc/39/59/97/391395997.db2.gz GKEDZQRVILYUMK-CYBMUJFWSA-N 1 2 284.425 1.969 20 30 CDEDLO C[N@@H+](CCC1(C#N)CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000411139619 391395999 /nfs/dbraw/zinc/39/59/99/391395999.db2.gz GKEDZQRVILYUMK-CYBMUJFWSA-N 1 2 284.425 1.969 20 30 CDEDLO CC[C@@H](F)C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000440518744 391400991 /nfs/dbraw/zinc/40/09/91/391400991.db2.gz VGZQWEQUQZAVDP-GFCCVEGCSA-N 1 2 279.363 1.470 20 30 CDEDLO Cn1nc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1C1CC1 ZINC000328978714 391402310 /nfs/dbraw/zinc/40/23/10/391402310.db2.gz XEGFMJFVBWGDAK-SNVBAGLBSA-N 1 2 285.351 1.883 20 30 CDEDLO Cn1nc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1C1CC1 ZINC000328978714 391402312 /nfs/dbraw/zinc/40/23/12/391402312.db2.gz XEGFMJFVBWGDAK-SNVBAGLBSA-N 1 2 285.351 1.883 20 30 CDEDLO CC(C)c1nn(C)cc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330623706 391461389 /nfs/dbraw/zinc/46/13/89/391461389.db2.gz QBBMSWOIFKYGCI-LBPRGKRZSA-N 1 2 294.399 1.569 20 30 CDEDLO CC(C)c1nn(C)cc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330623706 391461392 /nfs/dbraw/zinc/46/13/92/391461392.db2.gz QBBMSWOIFKYGCI-LBPRGKRZSA-N 1 2 294.399 1.569 20 30 CDEDLO CSc1cc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)ccn1 ZINC000330626509 391462261 /nfs/dbraw/zinc/46/22/61/391462261.db2.gz VSYBUSWJNIRKMK-LLVKDONJSA-N 1 2 295.408 1.829 20 30 CDEDLO CSc1cc(C(=O)NCC[N@H+]2CCOC[C@H]2C)ccn1 ZINC000330626509 391462264 /nfs/dbraw/zinc/46/22/64/391462264.db2.gz VSYBUSWJNIRKMK-LLVKDONJSA-N 1 2 295.408 1.829 20 30 CDEDLO N#Cc1ccc(C[NH2+]Cc2nnnn2C2CC2)c(F)c1 ZINC000610947078 391505975 /nfs/dbraw/zinc/50/59/75/391505975.db2.gz ICBCAJUWYZZDAF-UHFFFAOYSA-N 1 2 272.287 1.309 20 30 CDEDLO COC(=O)c1n[nH]c2c1C[N@@H+]([C@@H](C)CCC#N)CC2 ZINC000411790331 391526696 /nfs/dbraw/zinc/52/66/96/391526696.db2.gz JESZPOSBTDOKCI-VIFPVBQESA-N 1 2 262.313 1.247 20 30 CDEDLO COC(=O)c1n[nH]c2c1C[N@H+]([C@@H](C)CCC#N)CC2 ZINC000411790331 391526698 /nfs/dbraw/zinc/52/66/98/391526698.db2.gz JESZPOSBTDOKCI-VIFPVBQESA-N 1 2 262.313 1.247 20 30 CDEDLO N#C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1F ZINC000349424766 391550313 /nfs/dbraw/zinc/55/03/13/391550313.db2.gz FCNLLZRKTUTQFP-ABAIWWIYSA-N 1 2 298.321 1.966 20 30 CDEDLO C=CC[N@@H+](C)CCN(CC)C[C@@H](C)CS(C)(=O)=O ZINC000411643190 391500299 /nfs/dbraw/zinc/50/02/99/391500299.db2.gz OVBUHRXLILUVCP-CYBMUJFWSA-N 1 2 276.446 1.107 20 30 CDEDLO C=CC[N@H+](C)CCN(CC)C[C@@H](C)CS(C)(=O)=O ZINC000411643190 391500305 /nfs/dbraw/zinc/50/03/05/391500305.db2.gz OVBUHRXLILUVCP-CYBMUJFWSA-N 1 2 276.446 1.107 20 30 CDEDLO N#Cc1ccc(F)cc1CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000160799179 391621943 /nfs/dbraw/zinc/62/19/43/391621943.db2.gz KIFKITURBORZPB-INIZCTEOSA-N 1 2 289.354 1.604 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000160799179 391621945 /nfs/dbraw/zinc/62/19/45/391621945.db2.gz KIFKITURBORZPB-INIZCTEOSA-N 1 2 289.354 1.604 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000160799179 391621948 /nfs/dbraw/zinc/62/19/48/391621948.db2.gz KIFKITURBORZPB-INIZCTEOSA-N 1 2 289.354 1.604 20 30 CDEDLO C=CCOC[C@@H]([NH2+]C[C@H]1CCSC1)C(=O)OC ZINC000361115956 391683786 /nfs/dbraw/zinc/68/37/86/391683786.db2.gz ZJMGVENAOVKEIY-GHMZBOCLSA-N 1 2 259.371 1.073 20 30 CDEDLO C=CCOC[C@H]([NH2+]C1CCC(C(=O)OC)CC1)C(=O)OC ZINC000361113457 391683983 /nfs/dbraw/zinc/68/39/83/391683983.db2.gz MGOFGMFHIVELAU-BPCQOVAHSA-N 1 2 299.367 1.052 20 30 CDEDLO Cc1cc(NC(=O)[C@H]2C[N@H+](C)CCO2)cc2n[nH]cc21 ZINC000329081618 391749013 /nfs/dbraw/zinc/74/90/13/391749013.db2.gz RTZILNYHQABWMP-CYBMUJFWSA-N 1 2 274.324 1.790 20 30 CDEDLO Cc1cc(NC(=O)[C@H]2C[N@@H+](C)CCO2)cc2n[nH]cc21 ZINC000329081618 391749016 /nfs/dbraw/zinc/74/90/16/391749016.db2.gz RTZILNYHQABWMP-CYBMUJFWSA-N 1 2 274.324 1.790 20 30 CDEDLO CCn1cnc2c(c1=O)CC[N@H+](CC#Cc1ccccc1)C2 ZINC000285997141 391722826 /nfs/dbraw/zinc/72/28/26/391722826.db2.gz GBZPOENVGXCHBY-UHFFFAOYSA-N 1 2 293.370 1.673 20 30 CDEDLO CCn1cnc2c(c1=O)CC[N@@H+](CC#Cc1ccccc1)C2 ZINC000285997141 391722830 /nfs/dbraw/zinc/72/28/30/391722830.db2.gz GBZPOENVGXCHBY-UHFFFAOYSA-N 1 2 293.370 1.673 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCCN(CC)C(=O)C1 ZINC000190195338 130071164 /nfs/dbraw/zinc/07/11/64/130071164.db2.gz WRUMIKHDZMRBHE-CQSZACIVSA-N 1 2 295.427 1.354 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCCN(CC)C(=O)C1 ZINC000190195338 130071166 /nfs/dbraw/zinc/07/11/66/130071166.db2.gz WRUMIKHDZMRBHE-CQSZACIVSA-N 1 2 295.427 1.354 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000648313618 391757009 /nfs/dbraw/zinc/75/70/09/391757009.db2.gz NVIDQQYAPRFDGI-NEPJUHHUSA-N 1 2 257.293 1.864 20 30 CDEDLO CN(C[C@H]1CCCO1)C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329747162 391769880 /nfs/dbraw/zinc/76/98/80/391769880.db2.gz ZGBSUHIDAXTHSH-GHMZBOCLSA-N 1 2 278.356 1.292 20 30 CDEDLO CN(C[C@H]1CCCO1)C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329747162 391769882 /nfs/dbraw/zinc/76/98/82/391769882.db2.gz ZGBSUHIDAXTHSH-GHMZBOCLSA-N 1 2 278.356 1.292 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CCS1 ZINC000171699262 391934935 /nfs/dbraw/zinc/93/49/35/391934935.db2.gz MSQYKFODJIAMIX-MFKMUULPSA-N 1 2 267.398 1.232 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CCS1 ZINC000171699262 391934945 /nfs/dbraw/zinc/93/49/45/391934945.db2.gz MSQYKFODJIAMIX-MFKMUULPSA-N 1 2 267.398 1.232 20 30 CDEDLO C[N@@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)C(C)(C)C1 ZINC000442801959 392496081 /nfs/dbraw/zinc/49/60/81/392496081.db2.gz QQBMBQZQXYAKCO-UHFFFAOYSA-N 1 2 273.336 1.430 20 30 CDEDLO C[N@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)C(C)(C)C1 ZINC000442801959 392496089 /nfs/dbraw/zinc/49/60/89/392496089.db2.gz QQBMBQZQXYAKCO-UHFFFAOYSA-N 1 2 273.336 1.430 20 30 CDEDLO Cc1cc(NCCn2cnnc2C2CC2)c(C#N)c[nH+]1 ZINC000425236700 393000928 /nfs/dbraw/zinc/00/09/28/393000928.db2.gz KBTCNCBZIYDPDT-UHFFFAOYSA-N 1 2 268.324 1.265 20 30 CDEDLO N#Cc1cc([N+](=O)[O-])cnc1N1CC(n2cc[nH+]c2)C1 ZINC000532342355 393070959 /nfs/dbraw/zinc/07/09/59/393070959.db2.gz VCKSJAKBBUIXAC-UHFFFAOYSA-N 1 2 270.252 1.119 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)s1 ZINC000494367517 393230473 /nfs/dbraw/zinc/23/04/73/393230473.db2.gz ZYUQJVRFAXDNOI-SNVBAGLBSA-N 1 2 277.349 1.646 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)OCC[C@@H]3C2)s1 ZINC000494367517 393230480 /nfs/dbraw/zinc/23/04/80/393230480.db2.gz ZYUQJVRFAXDNOI-SNVBAGLBSA-N 1 2 277.349 1.646 20 30 CDEDLO CCN1CC[NH+]([C@@H](C)CNc2ccc(C#N)c(C)n2)CC1 ZINC000487926455 393335676 /nfs/dbraw/zinc/33/56/76/393335676.db2.gz CRDLFFBBLWXANE-ZDUSSCGKSA-N 1 2 287.411 1.122 20 30 CDEDLO COc1ccc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)cc1C#N ZINC000248818235 140294848 /nfs/dbraw/zinc/29/48/48/140294848.db2.gz ITPBNKRZWAZYLR-FZMZJTMJSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1ccc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)cc1C#N ZINC000248818235 140294850 /nfs/dbraw/zinc/29/48/50/140294850.db2.gz ITPBNKRZWAZYLR-FZMZJTMJSA-N 1 2 276.336 1.148 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc(C#N)s2)C1 ZINC000334170855 149327367 /nfs/dbraw/zinc/32/73/67/149327367.db2.gz BHCPPKPYAOSSGV-JTQLQIEISA-N 1 2 286.360 1.983 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@H](F)C[C@H]2CO)c1 ZINC000336183673 151343603 /nfs/dbraw/zinc/34/36/03/151343603.db2.gz QMQOASFUEWHOSN-NEPJUHHUSA-N 1 2 252.264 1.602 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@H](F)C[C@H]2CO)c1 ZINC000336183673 151343604 /nfs/dbraw/zinc/34/36/04/151343604.db2.gz QMQOASFUEWHOSN-NEPJUHHUSA-N 1 2 252.264 1.602 20 30 CDEDLO C[C@@H]([NH2+]Cc1nnnn1CC1CC1)c1cccc(C#N)c1 ZINC000343681893 152265485 /nfs/dbraw/zinc/26/54/85/152265485.db2.gz GUFIOYFQBOKFKB-LLVKDONJSA-N 1 2 282.351 1.806 20 30 CDEDLO CC1(C)CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000343858292 152327600 /nfs/dbraw/zinc/32/76/00/152327600.db2.gz KIAHMFOWSRWMQO-UHFFFAOYSA-N 1 2 293.392 1.459 20 30 CDEDLO CC1(C)CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000343858292 152327602 /nfs/dbraw/zinc/32/76/02/152327602.db2.gz KIAHMFOWSRWMQO-UHFFFAOYSA-N 1 2 293.392 1.459 20 30 CDEDLO N#Cc1cccc(N2CC[NH+](Cc3cncs3)CC2)n1 ZINC000355460745 157066008 /nfs/dbraw/zinc/06/60/08/157066008.db2.gz WMJCOYGBJSYZHQ-UHFFFAOYSA-N 1 2 285.376 1.732 20 30 CDEDLO N#Cc1ccncc1C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000358378905 157928132 /nfs/dbraw/zinc/92/81/32/157928132.db2.gz COJJDIKQNINXNZ-UHFFFAOYSA-N 1 2 296.330 1.504 20 30 CDEDLO N#Cc1cccc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000371483928 160015267 /nfs/dbraw/zinc/01/52/67/160015267.db2.gz XPYZFXBFBCUBTB-AWEZNQCLSA-N 1 2 280.331 1.634 20 30 CDEDLO N#Cc1cnc(N2CC[NH+]([C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000372930007 160158996 /nfs/dbraw/zinc/15/89/96/160158996.db2.gz QPFXJTZWVGXOFW-GFCCVEGCSA-N 1 2 292.770 1.518 20 30 CDEDLO COc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1C#N ZINC000234996892 165046170 /nfs/dbraw/zinc/04/61/70/165046170.db2.gz XJUFQZCOIBJKMC-OKILXGFUSA-N 1 2 258.321 1.930 20 30 CDEDLO COc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1C#N ZINC000234996892 165046173 /nfs/dbraw/zinc/04/61/73/165046173.db2.gz XJUFQZCOIBJKMC-OKILXGFUSA-N 1 2 258.321 1.930 20 30 CDEDLO C=C(C)CCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000665019871 413791766 /nfs/dbraw/zinc/79/17/66/413791766.db2.gz GSNIMILFUUPXJS-CHWSQXEVSA-N 1 2 269.389 1.361 20 30 CDEDLO C=C(C)CCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000665019871 413791772 /nfs/dbraw/zinc/79/17/72/413791772.db2.gz GSNIMILFUUPXJS-CHWSQXEVSA-N 1 2 269.389 1.361 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1nc(CCc2ccccc2)no1 ZINC000662167045 414547373 /nfs/dbraw/zinc/54/73/73/414547373.db2.gz PVRBUTRLLIYYMP-CYBMUJFWSA-N 1 2 273.336 1.491 20 30 CDEDLO CC#CC[NH+]1CCN(c2ccc(OCC)nn2)CC1 ZINC000662252272 414588420 /nfs/dbraw/zinc/58/84/20/414588420.db2.gz NLOWMTNHYFNLEU-UHFFFAOYSA-N 1 2 260.341 1.021 20 30 CDEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000045173535 175322224 /nfs/dbraw/zinc/32/22/24/175322224.db2.gz TXHXUILXAPEIRQ-JTQLQIEISA-N 1 2 252.339 1.339 20 30 CDEDLO N#Cc1cc(S(=O)(=O)Nc2cc[nH+]cc2)ccc1F ZINC000071248520 176094734 /nfs/dbraw/zinc/09/47/34/176094734.db2.gz MVYXUJZJSQFVTB-UHFFFAOYSA-N 1 2 277.280 1.893 20 30 CDEDLO C[C@@H](C#N)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000347069497 226013048 /nfs/dbraw/zinc/01/30/48/226013048.db2.gz NCOQCVNBNGBIOB-LBPRGKRZSA-N 1 2 272.352 1.848 20 30 CDEDLO C[C@@]1(F)CC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000347398617 226145235 /nfs/dbraw/zinc/14/52/35/226145235.db2.gz YHXIPZZUAPQLJM-CYBMUJFWSA-N 1 2 266.320 1.076 20 30 CDEDLO C[C@@]1(F)CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000347398617 226145240 /nfs/dbraw/zinc/14/52/40/226145240.db2.gz YHXIPZZUAPQLJM-CYBMUJFWSA-N 1 2 266.320 1.076 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21)C1CC1 ZINC000329023621 227261954 /nfs/dbraw/zinc/26/19/54/227261954.db2.gz ULUBPUUJZOGNFX-GZBFAFLISA-N 1 2 277.368 1.888 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21)C1CC1 ZINC000329023621 227261961 /nfs/dbraw/zinc/26/19/61/227261961.db2.gz ULUBPUUJZOGNFX-GZBFAFLISA-N 1 2 277.368 1.888 20 30 CDEDLO C[C@@H]1C[C@@H](CNC(=O)N2CCn3cc[nH+]c3C2)CCO1 ZINC000329122086 227311555 /nfs/dbraw/zinc/31/15/55/227311555.db2.gz QXPHRRFJBXAPKQ-NEPJUHHUSA-N 1 2 278.356 1.428 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC2CC(F)(F)C2)C1 ZINC000330243830 228078100 /nfs/dbraw/zinc/07/81/00/228078100.db2.gz JZAVPJBJDQQKNK-VIFPVBQESA-N 1 2 284.310 1.921 20 30 CDEDLO C[C@H]1C[C@]1(C#N)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000336234713 228218814 /nfs/dbraw/zinc/21/88/14/228218814.db2.gz LXMZOBLASVGQIG-SWLSCSKDSA-N 1 2 289.404 1.942 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000407951430 260016532 /nfs/dbraw/zinc/01/65/32/260016532.db2.gz SSKUUNQXUHCZJL-DGCLKSJQSA-N 1 2 265.357 1.000 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000407951430 260016534 /nfs/dbraw/zinc/01/65/34/260016534.db2.gz SSKUUNQXUHCZJL-DGCLKSJQSA-N 1 2 265.357 1.000 20 30 CDEDLO N#CCC[N@H+](CCN1CCOCC1)Cc1ccccc1O ZINC000154805113 261095373 /nfs/dbraw/zinc/09/53/73/261095373.db2.gz SOVHRKYTLHMTNU-UHFFFAOYSA-N 1 2 289.379 1.440 20 30 CDEDLO N#CCC[N@@H+](CCN1CCOCC1)Cc1ccccc1O ZINC000154805113 261095375 /nfs/dbraw/zinc/09/53/75/261095375.db2.gz SOVHRKYTLHMTNU-UHFFFAOYSA-N 1 2 289.379 1.440 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccccc1O ZINC000154805113 261095376 /nfs/dbraw/zinc/09/53/76/261095376.db2.gz SOVHRKYTLHMTNU-UHFFFAOYSA-N 1 2 289.379 1.440 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCCC[C@H]1CC ZINC000490675347 261182106 /nfs/dbraw/zinc/18/21/06/261182106.db2.gz DYCGEQQDMDJLFJ-OAHLLOKOSA-N 1 2 260.381 1.736 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCCC[C@H]1CC ZINC000490675347 261182108 /nfs/dbraw/zinc/18/21/08/261182108.db2.gz DYCGEQQDMDJLFJ-OAHLLOKOSA-N 1 2 260.381 1.736 20 30 CDEDLO C#C[C@H](CC)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000490739638 261196974 /nfs/dbraw/zinc/19/69/74/261196974.db2.gz JSDIUHMJPQYRLS-OCCSQVGLSA-N 1 2 264.369 1.158 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)N[C@@H](Cc1ccccc1)C(C)=O ZINC000490759317 261202072 /nfs/dbraw/zinc/20/20/72/261202072.db2.gz CFHXUNGJKKGNCU-INIZCTEOSA-N 1 2 286.375 1.258 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)N[C@@H](Cc1ccccc1)C(C)=O ZINC000490759317 261202073 /nfs/dbraw/zinc/20/20/73/261202073.db2.gz CFHXUNGJKKGNCU-INIZCTEOSA-N 1 2 286.375 1.258 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccc(-n2cncn2)c(F)c1 ZINC000490916474 261246962 /nfs/dbraw/zinc/24/69/62/261246962.db2.gz SOEBNUKTOLBSGJ-UHFFFAOYSA-N 1 2 268.295 1.475 20 30 CDEDLO C#CC[NH+]1CCN(c2ncnc3cccc(OC)c32)CC1 ZINC000490934478 261253843 /nfs/dbraw/zinc/25/38/43/261253843.db2.gz ILJXVCXGJDJGBB-UHFFFAOYSA-N 1 2 282.347 1.394 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCn2cccc2[C@H]1C ZINC000249720534 261259531 /nfs/dbraw/zinc/25/95/31/261259531.db2.gz MBNMHSAUJIVRQD-UONOGXRCSA-N 1 2 288.395 1.873 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCn2cccc2[C@H]1C ZINC000249720534 261259533 /nfs/dbraw/zinc/25/95/33/261259533.db2.gz MBNMHSAUJIVRQD-UONOGXRCSA-N 1 2 288.395 1.873 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NC(=O)NC(C)C ZINC000249898536 261261058 /nfs/dbraw/zinc/26/10/58/261261058.db2.gz SGAOWRDIMXCBFF-GHMZBOCLSA-N 1 2 268.361 1.091 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NC(=O)NC(C)C ZINC000249898536 261261061 /nfs/dbraw/zinc/26/10/61/261261061.db2.gz SGAOWRDIMXCBFF-GHMZBOCLSA-N 1 2 268.361 1.091 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCCc1ccc(F)cc1)C1CC1 ZINC000491786503 262050691 /nfs/dbraw/zinc/05/06/91/262050691.db2.gz UEZHGYNKKCIRQO-UHFFFAOYSA-N 1 2 274.339 1.582 20 30 CDEDLO C#CC[N@H+](CC(=O)NCCc1ccc(F)cc1)C1CC1 ZINC000491786503 262050692 /nfs/dbraw/zinc/05/06/92/262050692.db2.gz UEZHGYNKKCIRQO-UHFFFAOYSA-N 1 2 274.339 1.582 20 30 CDEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC#N ZINC000497242711 262123535 /nfs/dbraw/zinc/12/35/35/262123535.db2.gz HZJUXSQXFUFWDC-GHMZBOCLSA-N 1 2 253.346 1.745 20 30 CDEDLO C=CC[N@@H+](CCOCC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000336783706 262394594 /nfs/dbraw/zinc/39/45/94/262394594.db2.gz GCDMXYBZDQYZTM-ZDUSSCGKSA-N 1 2 275.414 1.334 20 30 CDEDLO C=CC[N@H+](CCOCC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000336783706 262394595 /nfs/dbraw/zinc/39/45/95/262394595.db2.gz GCDMXYBZDQYZTM-ZDUSSCGKSA-N 1 2 275.414 1.334 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)CCn1cnc2ccccc2c1=O ZINC000265288923 262906164 /nfs/dbraw/zinc/90/61/64/262906164.db2.gz CPBIZVHTKDXLGV-LBPRGKRZSA-N 1 2 270.336 1.488 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)CCn1cnc2ccccc2c1=O ZINC000265288923 262906166 /nfs/dbraw/zinc/90/61/66/262906166.db2.gz CPBIZVHTKDXLGV-LBPRGKRZSA-N 1 2 270.336 1.488 20 30 CDEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000279431262 263055355 /nfs/dbraw/zinc/05/53/55/263055355.db2.gz MJQICDLCOKSWPT-BXUZGUMPSA-N 1 2 260.341 1.931 20 30 CDEDLO CO/N=C/C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000283763254 263083994 /nfs/dbraw/zinc/08/39/94/263083994.db2.gz RXSAZHDLQSPPNH-VGOFMYFVSA-N 1 2 296.396 1.946 20 30 CDEDLO N#Cc1ccc(CO[NH+]=C(N)[C@@H]2CCCO2)c(F)c1 ZINC000284623641 263087643 /nfs/dbraw/zinc/08/76/43/263087643.db2.gz ZRVDRHKJMTZGRU-LBPRGKRZSA-N 1 2 263.272 1.665 20 30 CDEDLO CSC[C@](C)(C#N)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000289987694 263113745 /nfs/dbraw/zinc/11/37/45/263113745.db2.gz SSHQNADPUAAEPC-ZDUSSCGKSA-N 1 2 274.349 1.709 20 30 CDEDLO CC1(C)C[C@]1(C#N)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000291501580 263123636 /nfs/dbraw/zinc/12/36/36/263123636.db2.gz VECSEJLKGBHTRP-OAHLLOKOSA-N 1 2 268.320 1.685 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1ccccn1 ZINC000295239582 263174840 /nfs/dbraw/zinc/17/48/40/263174840.db2.gz XXHVMJBMWUBLNZ-UHFFFAOYSA-N 1 2 260.341 1.276 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1ccccn1 ZINC000295239582 263174842 /nfs/dbraw/zinc/17/48/42/263174842.db2.gz XXHVMJBMWUBLNZ-UHFFFAOYSA-N 1 2 260.341 1.276 20 30 CDEDLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NCC#N)s1 ZINC000122085872 263300501 /nfs/dbraw/zinc/30/05/01/263300501.db2.gz HTHROXVFEQGRLB-JTQLQIEISA-N 1 2 280.397 1.647 20 30 CDEDLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NCC#N)s1 ZINC000122085872 263300502 /nfs/dbraw/zinc/30/05/02/263300502.db2.gz HTHROXVFEQGRLB-JTQLQIEISA-N 1 2 280.397 1.647 20 30 CDEDLO C=C[C@@H](C)NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000340817647 263307165 /nfs/dbraw/zinc/30/71/65/263307165.db2.gz JZDINFJOOXQDBG-LLVKDONJSA-N 1 2 298.346 1.716 20 30 CDEDLO C=CCNC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000341191504 263328808 /nfs/dbraw/zinc/32/88/08/263328808.db2.gz MQZFJOPSMLOSKP-UHFFFAOYSA-N 1 2 262.235 1.431 20 30 CDEDLO C=C1CC[NH+](CC(=O)N(C)CC(F)(F)F)CC1 ZINC000342002970 263376439 /nfs/dbraw/zinc/37/64/39/263376439.db2.gz MKAJBYYNHVNIAY-UHFFFAOYSA-N 1 2 250.264 1.659 20 30 CDEDLO Cc1[nH]c(C(=O)NC[C@](C)(O)C(=O)OC(C)(C)C)c[nH+]1 ZINC000330919874 264094065 /nfs/dbraw/zinc/09/40/65/264094065.db2.gz OSPQWLUHYXGYLH-ZDUSSCGKSA-N 1 2 283.328 1.115 20 30 CDEDLO C=CCCn1cc(C[N@@H+](C)CCNC(=O)C(C)C)nn1 ZINC000653595482 424317828 /nfs/dbraw/zinc/31/78/28/424317828.db2.gz KIGXJNUMENCAAP-UHFFFAOYSA-N 1 2 279.388 1.058 20 30 CDEDLO C=CCCn1cc(C[N@H+](C)CCNC(=O)C(C)C)nn1 ZINC000653595482 424317837 /nfs/dbraw/zinc/31/78/37/424317837.db2.gz KIGXJNUMENCAAP-UHFFFAOYSA-N 1 2 279.388 1.058 20 30 CDEDLO C=CCCn1cc(C[NH2+]C(C)(C)c2cnn(C)c2)nn1 ZINC000653616211 424343569 /nfs/dbraw/zinc/34/35/69/424343569.db2.gz LYQYGRLSOKTAMH-UHFFFAOYSA-N 1 2 274.372 1.613 20 30 CDEDLO C=CCCC1(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000356227955 266077672 /nfs/dbraw/zinc/07/76/72/266077672.db2.gz SCRXDCIWPZPSFA-LSDHHAIUSA-N 1 2 292.423 1.912 20 30 CDEDLO Cn1cc[nH+]c1CNS(=O)(=O)CC1(C#N)CCCCC1 ZINC000356629342 266151011 /nfs/dbraw/zinc/15/10/11/266151011.db2.gz VHJOCYIMVGPNAZ-UHFFFAOYSA-N 1 2 296.396 1.314 20 30 CDEDLO C=CCOC[C@H]([NH2+]C[C@H]1CCSC1)C(=O)OC ZINC000361115957 266787965 /nfs/dbraw/zinc/78/79/65/266787965.db2.gz ZJMGVENAOVKEIY-MNOVXSKESA-N 1 2 259.371 1.073 20 30 CDEDLO CCN(CC)c1ccc(Nc2ccnc(C#N)n2)c[nH+]1 ZINC000516120974 267062801 /nfs/dbraw/zinc/06/28/01/267062801.db2.gz WHORLNOCMXMTIS-UHFFFAOYSA-N 1 2 268.324 1.755 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000368524711 267179909 /nfs/dbraw/zinc/17/99/09/267179909.db2.gz ZTZGKSFJTBSNLY-UHFFFAOYSA-N 1 2 292.832 1.629 20 30 CDEDLO N#CCC(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000374870470 267819004 /nfs/dbraw/zinc/81/90/04/267819004.db2.gz ACRILOWKLQIDGC-LBPRGKRZSA-N 1 2 263.728 1.727 20 30 CDEDLO Cc1[nH+]c2cc(NC(=O)c3cnn(C)c3C#N)ccc2n1C ZINC000526020839 268079420 /nfs/dbraw/zinc/07/94/20/268079420.db2.gz MQOWTUDGXGQEET-UHFFFAOYSA-N 1 2 294.318 1.739 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2C2CCC2)nc1 ZINC000521367355 268222937 /nfs/dbraw/zinc/22/29/37/268222937.db2.gz ZMNMSFLLLLXJBX-HNNXBMFYSA-N 1 2 257.337 1.954 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2C2CCC2)nc1 ZINC000521367355 268222938 /nfs/dbraw/zinc/22/29/38/268222938.db2.gz ZMNMSFLLLLXJBX-HNNXBMFYSA-N 1 2 257.337 1.954 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000551351711 290005514 /nfs/dbraw/zinc/00/55/14/290005514.db2.gz GKJFRKPPAJTKLC-NSHDSACASA-N 1 2 283.335 1.524 20 30 CDEDLO CCCN1CCC[N@H+](Cc2ccc(C#N)cn2)CC1=O ZINC000571057742 294361138 /nfs/dbraw/zinc/36/11/38/294361138.db2.gz DZAXXJOPHUGLMQ-UHFFFAOYSA-N 1 2 272.352 1.398 20 30 CDEDLO CCCN1CCC[N@@H+](Cc2ccc(C#N)cn2)CC1=O ZINC000571057742 294361140 /nfs/dbraw/zinc/36/11/40/294361140.db2.gz DZAXXJOPHUGLMQ-UHFFFAOYSA-N 1 2 272.352 1.398 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNc1ccnc(C#N)n1)CCC2 ZINC000571657832 294481676 /nfs/dbraw/zinc/48/16/76/294481676.db2.gz SILFFCZGGUHSMK-NSHDSACASA-N 1 2 268.324 1.265 20 30 CDEDLO O=C(N[C@H]1CCCc2c[nH]nc21)N1CCn2cc[nH+]c2C1 ZINC000330130593 295386875 /nfs/dbraw/zinc/38/68/75/295386875.db2.gz KLRZXAHEPJSPMY-NSHDSACASA-N 1 2 286.339 1.413 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](COC)c1ccco1 ZINC000184623003 327831372 /nfs/dbraw/zinc/83/13/72/327831372.db2.gz DHEDIMIYRZWQRP-STQMWFEESA-N 1 2 293.367 1.565 20 30 CDEDLO Cn1c(C#N)ccc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000566364503 316564969 /nfs/dbraw/zinc/56/49/69/316564969.db2.gz SPMVLISJOJKGTM-UHFFFAOYSA-N 1 2 257.297 1.285 20 30 CDEDLO COC(=O)c1ccc(NC[C@H](C)Cn2cc[nH+]c2)c(C#N)n1 ZINC000569408282 316776438 /nfs/dbraw/zinc/77/64/38/316776438.db2.gz FPLRFALEBPMTRK-NSHDSACASA-N 1 2 299.334 1.685 20 30 CDEDLO C[C@H](C[NH+]1CCN(C)CC1)Nc1ncc2c(c1C#N)CCC2 ZINC000575797373 317015728 /nfs/dbraw/zinc/01/57/28/317015728.db2.gz JVYSKEMICKDKCQ-CYBMUJFWSA-N 1 2 299.422 1.490 20 30 CDEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(C(=O)c3ccccc3O)CC2)C1 ZINC000278620821 328228608 /nfs/dbraw/zinc/22/86/08/328228608.db2.gz NFGZFAAJFMKNQQ-KGLIPLIRSA-N 1 2 299.374 1.842 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)nc1 ZINC000578707560 324000182 /nfs/dbraw/zinc/00/01/82/324000182.db2.gz VPGHPTZUWNOORW-KBPBESRZSA-N 1 2 270.336 1.196 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)nc1 ZINC000578707560 324000186 /nfs/dbraw/zinc/00/01/86/324000186.db2.gz VPGHPTZUWNOORW-KBPBESRZSA-N 1 2 270.336 1.196 20 30 CDEDLO N#Cc1cnn2c1NC[C@H](C[N@H+]1CCC[C@@H]1C(F)F)C2 ZINC000582964376 325079151 /nfs/dbraw/zinc/07/91/51/325079151.db2.gz AXTAFXDRPPRTRC-MWLCHTKSSA-N 1 2 281.310 1.526 20 30 CDEDLO N#Cc1cnn2c1NC[C@H](C[N@@H+]1CCC[C@@H]1C(F)F)C2 ZINC000582964376 325079153 /nfs/dbraw/zinc/07/91/53/325079153.db2.gz AXTAFXDRPPRTRC-MWLCHTKSSA-N 1 2 281.310 1.526 20 30 CDEDLO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc(C#N)cs1 ZINC000584191923 327062668 /nfs/dbraw/zinc/06/26/68/327062668.db2.gz HQIAECCJYCUJGD-NSHDSACASA-N 1 2 263.366 1.786 20 30 CDEDLO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(C#N)cs1 ZINC000584191923 327062669 /nfs/dbraw/zinc/06/26/69/327062669.db2.gz HQIAECCJYCUJGD-NSHDSACASA-N 1 2 263.366 1.786 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC1(C#N)CC1)C1CC1 ZINC000563902950 328800541 /nfs/dbraw/zinc/80/05/41/328800541.db2.gz NRMZJYHNBXNLDS-LLVKDONJSA-N 1 2 273.340 1.474 20 30 CDEDLO C#CCCS(=O)(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000377399319 329014201 /nfs/dbraw/zinc/01/42/01/329014201.db2.gz NPNWEBYTEMFUBD-STQMWFEESA-N 1 2 281.381 1.119 20 30 CDEDLO Cn1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc2ccccc21 ZINC000582730427 329132031 /nfs/dbraw/zinc/13/20/31/329132031.db2.gz KLXQLJPLDUZACE-INIZCTEOSA-N 1 2 284.363 1.752 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](COC)C1 ZINC000172887435 329140225 /nfs/dbraw/zinc/14/02/25/329140225.db2.gz BXRQUKLLLLKCEX-KGLIPLIRSA-N 1 2 284.400 1.147 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@H](COC)C1 ZINC000172887435 329140226 /nfs/dbraw/zinc/14/02/26/329140226.db2.gz BXRQUKLLLLKCEX-KGLIPLIRSA-N 1 2 284.400 1.147 20 30 CDEDLO C=C(C)C[N@@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000181280552 329229141 /nfs/dbraw/zinc/22/91/41/329229141.db2.gz KKWBAJUHZPPKJU-UHFFFAOYSA-N 1 2 257.337 1.941 20 30 CDEDLO C=C(C)C[N@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000181280552 329229143 /nfs/dbraw/zinc/22/91/43/329229143.db2.gz KKWBAJUHZPPKJU-UHFFFAOYSA-N 1 2 257.337 1.941 20 30 CDEDLO C#C[C@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000187724397 329362810 /nfs/dbraw/zinc/36/28/10/329362810.db2.gz LPUJTIKUHJTBJN-NSHDSACASA-N 1 2 286.310 1.832 20 30 CDEDLO C=CCN(CC(=O)OCC)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000127191636 329597864 /nfs/dbraw/zinc/59/78/64/329597864.db2.gz KRAUMAMHECWNLR-GFCCVEGCSA-N 1 2 291.351 1.023 20 30 CDEDLO C#CCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000045605915 330347124 /nfs/dbraw/zinc/34/71/24/330347124.db2.gz VJOZAEPMHDRFOM-UHFFFAOYSA-N 1 2 268.320 1.364 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000580501148 330356629 /nfs/dbraw/zinc/35/66/29/330356629.db2.gz QCKZSICRNNMKTO-WBVHZDCISA-N 1 2 299.374 1.953 20 30 CDEDLO C=CCCn1cc(C(=O)N[C@H](CC)c2[nH]cc[nH+]2)nn1 ZINC000424776150 330493142 /nfs/dbraw/zinc/49/31/42/330493142.db2.gz IOGHYNIWVAUULU-SNVBAGLBSA-N 1 2 274.328 1.458 20 30 CDEDLO C[C@@H](C(=O)N[C@H](C#N)C(C)(C)C)[NH+]1CCSCC1 ZINC000153392735 330643362 /nfs/dbraw/zinc/64/33/62/330643362.db2.gz MODQQZOAHMMOGW-WDEREUQCSA-N 1 2 269.414 1.478 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](CCOC)CC1 ZINC000437874091 330710229 /nfs/dbraw/zinc/71/02/29/330710229.db2.gz QPHODMKWWZDYHY-OAHLLOKOSA-N 1 2 284.400 1.006 20 30 CDEDLO C[C@@H]1C[C@]1(C#N)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000448599647 330721838 /nfs/dbraw/zinc/72/18/38/330721838.db2.gz XJKJLOLMDKJNDJ-CZUORRHYSA-N 1 2 284.363 1.276 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1nc(NC)c2ccccc2[nH+]1 ZINC000450501210 330984008 /nfs/dbraw/zinc/98/40/08/330984008.db2.gz PEGABYCACFZJMJ-IUODEOHRSA-N 1 2 298.390 1.908 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc(NCCCC)[nH+]c(N)n1 ZINC000450805918 331000424 /nfs/dbraw/zinc/00/04/24/331000424.db2.gz PKOXDBWGZWONQK-NEPJUHHUSA-N 1 2 291.399 1.669 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc(NCCCC)nc(N)[nH+]1 ZINC000450805918 331000425 /nfs/dbraw/zinc/00/04/25/331000425.db2.gz PKOXDBWGZWONQK-NEPJUHHUSA-N 1 2 291.399 1.669 20 30 CDEDLO C=CCCS(=O)(=O)NCc1c[nH+]c(C)cc1C ZINC000452041709 331051618 /nfs/dbraw/zinc/05/16/18/331051618.db2.gz MOLGDSGHGZUIED-UHFFFAOYSA-N 1 2 254.355 1.694 20 30 CDEDLO C=C(CC)CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000456810763 331204808 /nfs/dbraw/zinc/20/48/08/331204808.db2.gz HARPNPWEAHLJGX-AWEZNQCLSA-N 1 2 266.385 1.570 20 30 CDEDLO C=C(CC)CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000456810763 331204809 /nfs/dbraw/zinc/20/48/09/331204809.db2.gz HARPNPWEAHLJGX-AWEZNQCLSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000457477471 331224187 /nfs/dbraw/zinc/22/41/87/331224187.db2.gz MIDINMOZGBWOTI-GFCCVEGCSA-N 1 2 288.351 1.461 20 30 CDEDLO CC(C)(CC#N)CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000457987322 331238895 /nfs/dbraw/zinc/23/88/95/331238895.db2.gz AOHFTDFEVAOVDD-CQSZACIVSA-N 1 2 293.411 1.543 20 30 CDEDLO CC(C)(CC#N)CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000457987322 331238896 /nfs/dbraw/zinc/23/88/96/331238896.db2.gz AOHFTDFEVAOVDD-CQSZACIVSA-N 1 2 293.411 1.543 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(F)ccc2C)CC1 ZINC000490759276 332112625 /nfs/dbraw/zinc/11/26/25/332112625.db2.gz ATUIUKNIQFUCRV-UHFFFAOYSA-N 1 2 289.354 1.323 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)C(C)(C)C ZINC000491304104 332185898 /nfs/dbraw/zinc/18/58/98/332185898.db2.gz DCDSTAAHBHWQRA-ZDUSSCGKSA-N 1 2 295.427 1.444 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)C(C)(C)C ZINC000491304104 332185900 /nfs/dbraw/zinc/18/59/00/332185900.db2.gz DCDSTAAHBHWQRA-ZDUSSCGKSA-N 1 2 295.427 1.444 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1cccc(-n2cccn2)c1 ZINC000491374675 332200013 /nfs/dbraw/zinc/20/00/13/332200013.db2.gz SBIFJKILQUMTDE-OAHLLOKOSA-N 1 2 267.332 1.706 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1Cc1cccc(-n2cccn2)c1 ZINC000491374675 332200014 /nfs/dbraw/zinc/20/00/14/332200014.db2.gz SBIFJKILQUMTDE-OAHLLOKOSA-N 1 2 267.332 1.706 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000491427071 332209352 /nfs/dbraw/zinc/20/93/52/332209352.db2.gz ISSWVNFUPFRBIM-LLVKDONJSA-N 1 2 275.308 1.795 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000491427071 332209353 /nfs/dbraw/zinc/20/93/53/332209353.db2.gz ISSWVNFUPFRBIM-LLVKDONJSA-N 1 2 275.308 1.795 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](O)Cc1ccc(F)cc1 ZINC000491526507 332230742 /nfs/dbraw/zinc/23/07/42/332230742.db2.gz ZVEHAWXZQDHBDQ-HUUCEWRRSA-N 1 2 263.312 1.063 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](O)Cc1ccc(F)cc1 ZINC000491526507 332230743 /nfs/dbraw/zinc/23/07/43/332230743.db2.gz ZVEHAWXZQDHBDQ-HUUCEWRRSA-N 1 2 263.312 1.063 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cc(C(=O)OC)c(C)n1C ZINC000491544736 332234471 /nfs/dbraw/zinc/23/44/71/332234471.db2.gz NKJIMPPZGHKDTD-UHFFFAOYSA-N 1 2 272.348 1.579 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cc(C(=O)OC)c(C)n1C ZINC000491544736 332234472 /nfs/dbraw/zinc/23/44/72/332234472.db2.gz NKJIMPPZGHKDTD-UHFFFAOYSA-N 1 2 272.348 1.579 20 30 CDEDLO C#CC[N@@H+](CCCCC(C)(C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000491641858 332261127 /nfs/dbraw/zinc/26/11/27/332261127.db2.gz UFMCGVHHVHBRCD-CQSZACIVSA-N 1 2 296.436 1.829 20 30 CDEDLO C#CC[N@H+](CCCCC(C)(C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000491641858 332261128 /nfs/dbraw/zinc/26/11/28/332261128.db2.gz UFMCGVHHVHBRCD-CQSZACIVSA-N 1 2 296.436 1.829 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000491699894 332294552 /nfs/dbraw/zinc/29/45/52/332294552.db2.gz VDBGVSRYILZKDR-UHFFFAOYSA-N 1 2 281.359 1.618 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000491699894 332294553 /nfs/dbraw/zinc/29/45/53/332294553.db2.gz VDBGVSRYILZKDR-UHFFFAOYSA-N 1 2 281.359 1.618 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1CC[C@@H](Cc2ccccc2)C1=O ZINC000491772424 332338672 /nfs/dbraw/zinc/33/86/72/332338672.db2.gz QPOREMLVFZSACT-HOCLYGCPSA-N 1 2 270.376 1.989 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1CC[C@@H](Cc2ccccc2)C1=O ZINC000491772424 332338673 /nfs/dbraw/zinc/33/86/73/332338673.db2.gz QPOREMLVFZSACT-HOCLYGCPSA-N 1 2 270.376 1.989 20 30 CDEDLO C#C[C@H](CCC)NC(=O)NCCCCn1cc[nH+]c1 ZINC000491773516 332339624 /nfs/dbraw/zinc/33/96/24/332339624.db2.gz RVZSPNGAHFTWHZ-CYBMUJFWSA-N 1 2 262.357 1.764 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000492067765 332381350 /nfs/dbraw/zinc/38/13/50/332381350.db2.gz XWAROHSZNRGEGM-CQSZACIVSA-N 1 2 295.427 1.847 20 30 CDEDLO C=CCCO[C@H](C)c1nc([C@H]2C[N@H+](C)CCN2C)no1 ZINC000547201986 334072420 /nfs/dbraw/zinc/07/24/20/334072420.db2.gz CZARIFVVTHINCO-VXGBXAGGSA-N 1 2 280.372 1.642 20 30 CDEDLO C=CCCO[C@H](C)c1nc([C@H]2C[N@@H+](C)CCN2C)no1 ZINC000547201986 334072421 /nfs/dbraw/zinc/07/24/21/334072421.db2.gz CZARIFVVTHINCO-VXGBXAGGSA-N 1 2 280.372 1.642 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@](C)(CC)C1 ZINC000135680897 334136157 /nfs/dbraw/zinc/13/61/57/334136157.db2.gz GMYCLLALJFHLEP-OAHLLOKOSA-N 1 2 268.401 1.912 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@](C)(CC)C1 ZINC000135680897 334136158 /nfs/dbraw/zinc/13/61/58/334136158.db2.gz GMYCLLALJFHLEP-OAHLLOKOSA-N 1 2 268.401 1.912 20 30 CDEDLO CC#CC[NH2+][C@H](C(=O)OC)[C@@H]1CCC[C@H](OC)C1 ZINC000566309228 334642073 /nfs/dbraw/zinc/64/20/73/334642073.db2.gz YGHPYWIVCAMTTG-AGIUHOORSA-N 1 2 253.342 1.346 20 30 CDEDLO Cc1nc2ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc2n1C ZINC000576826350 335252643 /nfs/dbraw/zinc/25/26/43/335252643.db2.gz JGVKLIIWMZPZGJ-INIZCTEOSA-N 1 2 299.378 1.455 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)Nc1c[nH+]ccc1-n1ccnn1 ZINC000577365294 335342857 /nfs/dbraw/zinc/34/28/57/335342857.db2.gz SQHIYUZNXDJKEK-RISCZKNCSA-N 1 2 299.334 1.582 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(CC#N)c1 ZINC000579424623 335746646 /nfs/dbraw/zinc/74/66/46/335746646.db2.gz VNHANWBGTDQCJM-OAHLLOKOSA-N 1 2 270.336 1.326 20 30 CDEDLO Cc1cccc(OCC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000581551520 336101426 /nfs/dbraw/zinc/10/14/26/336101426.db2.gz PVDYZLINSCCBJA-HNNXBMFYSA-N 1 2 275.352 1.334 20 30 CDEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(O)(CO)CC1 ZINC000313630045 482491677 /nfs/dbraw/zinc/49/16/77/482491677.db2.gz PEKYZPXNHFPJKF-UHFFFAOYSA-N 1 2 264.300 1.017 20 30 CDEDLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000361628102 482754185 /nfs/dbraw/zinc/75/41/85/482754185.db2.gz GVOQLLSJDKULIL-VIFPVBQESA-N 1 2 250.273 1.691 20 30 CDEDLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000361628102 482754189 /nfs/dbraw/zinc/75/41/89/482754189.db2.gz GVOQLLSJDKULIL-VIFPVBQESA-N 1 2 250.273 1.691 20 30 CDEDLO COCC#CC[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000677989312 482882711 /nfs/dbraw/zinc/88/27/11/482882711.db2.gz OVDHEEGFRJRBRH-ZDUSSCGKSA-N 1 2 274.368 1.511 20 30 CDEDLO COCC#CC[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000677989312 482882716 /nfs/dbraw/zinc/88/27/16/482882716.db2.gz OVDHEEGFRJRBRH-ZDUSSCGKSA-N 1 2 274.368 1.511 20 30 CDEDLO C=CCCOCC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000675256983 483264671 /nfs/dbraw/zinc/26/46/71/483264671.db2.gz DXJXHIUCGOEVEJ-UONOGXRCSA-N 1 2 277.368 1.885 20 30 CDEDLO CCC[N@H+](CC(=O)N(C)C)Cc1ccc(F)cc1C#N ZINC000103141216 521528303 /nfs/dbraw/zinc/52/83/03/521528303.db2.gz YREXIIOKTKSHEF-UHFFFAOYSA-N 1 2 277.343 1.998 20 30 CDEDLO CCC[N@@H+](CC(=O)N(C)C)Cc1ccc(F)cc1C#N ZINC000103141216 521528309 /nfs/dbraw/zinc/52/83/09/521528309.db2.gz YREXIIOKTKSHEF-UHFFFAOYSA-N 1 2 277.343 1.998 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001108269510 1161974644 /nfs/dbraw/zinc/97/46/44/1161974644.db2.gz LUSRAKJOFYGLLH-ZMSDIMECSA-N 1 2 290.407 1.263 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001108269510 1161974649 /nfs/dbraw/zinc/97/46/49/1161974649.db2.gz LUSRAKJOFYGLLH-ZMSDIMECSA-N 1 2 290.407 1.263 20 30 CDEDLO C=CCO[C@H](C)C(=O)N(C)CCCNc1cc[nH+]c(C)n1 ZINC001109468338 1162033309 /nfs/dbraw/zinc/03/33/09/1162033309.db2.gz YWMGSHSOLLYANL-GFCCVEGCSA-N 1 2 292.383 1.637 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CC2(OC)CCC2)CC1 ZINC001112803211 1162054269 /nfs/dbraw/zinc/05/42/69/1162054269.db2.gz WSQDSIHFQJSJDI-UHFFFAOYSA-N 1 2 264.369 1.113 20 30 CDEDLO Cc1cnc(C[NH2+]CCN(C)C(=O)C#CC(C)C)o1 ZINC001753187019 1185110345 /nfs/dbraw/zinc/11/03/45/1185110345.db2.gz RRYDSAIJVBZKNV-UHFFFAOYSA-N 1 2 263.341 1.190 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cnccn1 ZINC001754300291 1185560761 /nfs/dbraw/zinc/56/07/61/1185560761.db2.gz SESANCOILJSCHP-SNVBAGLBSA-N 1 2 268.748 1.279 20 30 CDEDLO CC#CCCCC(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001113232597 1162133956 /nfs/dbraw/zinc/13/39/56/1162133956.db2.gz VZOVAZROECBXMY-UHFFFAOYSA-N 1 2 292.423 1.751 20 30 CDEDLO Cc1cc[nH+]c(C)c1NC(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329250945 534385672 /nfs/dbraw/zinc/38/56/72/534385672.db2.gz UQQZJPRASXAVKG-AVGNSLFASA-N 1 2 275.352 1.947 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@]2(C)CCCOC2)CC1 ZINC001113459793 1162179694 /nfs/dbraw/zinc/17/96/94/1162179694.db2.gz HVQCSWNMXWMJKT-INIZCTEOSA-N 1 2 296.411 1.150 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000332217347 534753370 /nfs/dbraw/zinc/75/33/70/534753370.db2.gz ICRPYAABFXNSRR-QJPTWQEYSA-N 1 2 258.325 1.254 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)COc1ccc(C#N)cc1 ZINC000042375628 524784840 /nfs/dbraw/zinc/78/48/40/524784840.db2.gz VBUGXECJBHMZSZ-GFCCVEGCSA-N 1 2 284.319 1.338 20 30 CDEDLO N#Cc1cc([N+](=O)[O-])cnc1NCc1cn2ccccc2[nH+]1 ZINC000354671379 526575955 /nfs/dbraw/zinc/57/59/55/526575955.db2.gz BXIUBFBWWMJPBF-UHFFFAOYSA-N 1 2 294.274 1.543 20 30 CDEDLO CC1(C)[C@H](O)C[C@@H]1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000330288310 527881892 /nfs/dbraw/zinc/88/18/92/527881892.db2.gz CYNCPUBJZIUIRM-NWDGAFQWSA-N 1 2 292.383 1.382 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000353711932 529347430 /nfs/dbraw/zinc/34/74/30/529347430.db2.gz OLGHIKZBJSCPDM-SWLSCSKDSA-N 1 2 295.383 1.022 20 30 CDEDLO O=C(NCc1cn2ccccc2[nH+]1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000329294401 538556621 /nfs/dbraw/zinc/55/66/21/538556621.db2.gz JSAAKGVXMNJDKN-BETUJISGSA-N 1 2 286.335 1.612 20 30 CDEDLO CN(C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1)C1CC1 ZINC000329345983 538562115 /nfs/dbraw/zinc/56/21/15/538562115.db2.gz REJUXMSQVRQSTM-CYBMUJFWSA-N 1 2 292.383 1.896 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccn[nH]2)cc1 ZINC000742369830 574420539 /nfs/dbraw/zinc/42/05/39/574420539.db2.gz GPLMGVNFWAOBAH-LLVKDONJSA-N 1 2 256.309 1.990 20 30 CDEDLO CO[C@H](C)C(N)=[NH+]O[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000747868113 574509182 /nfs/dbraw/zinc/50/91/82/574509182.db2.gz RGHMQCDMDPMBLX-ZJUUUORDSA-N 1 2 290.323 1.419 20 30 CDEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CSCC#N ZINC000727493126 574586596 /nfs/dbraw/zinc/58/65/96/574586596.db2.gz HDWOIZFVIPZMHU-LLVKDONJSA-N 1 2 280.397 1.671 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(NC3CC3)nc2)CC1 ZINC000728083563 574612709 /nfs/dbraw/zinc/61/27/09/574612709.db2.gz DMWVKXBMUVHCEH-UHFFFAOYSA-N 1 2 284.363 1.047 20 30 CDEDLO C=CCOCC(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000729312169 574746362 /nfs/dbraw/zinc/74/63/62/574746362.db2.gz YRZCCTFPXIPKTC-UHFFFAOYSA-N 1 2 258.281 1.408 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000730098689 574849484 /nfs/dbraw/zinc/84/94/84/574849484.db2.gz NCQVYVVKKVFPDD-ZDUSSCGKSA-N 1 2 286.379 1.810 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000730098689 574849485 /nfs/dbraw/zinc/84/94/85/574849485.db2.gz NCQVYVVKKVFPDD-ZDUSSCGKSA-N 1 2 286.379 1.810 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CC(=O)NC)cc1 ZINC000730275450 574908048 /nfs/dbraw/zinc/90/80/48/574908048.db2.gz GVHGQXBBLODSON-HNNXBMFYSA-N 1 2 299.374 1.011 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CC(=O)NC)cc1 ZINC000730275450 574908051 /nfs/dbraw/zinc/90/80/51/574908051.db2.gz GVHGQXBBLODSON-HNNXBMFYSA-N 1 2 299.374 1.011 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCCSC(F)(F)F ZINC000730277901 574908701 /nfs/dbraw/zinc/90/87/01/574908701.db2.gz GMWDCYXYSBMBRN-VIFPVBQESA-N 1 2 280.315 1.453 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCSC(F)(F)F ZINC000730277901 574908703 /nfs/dbraw/zinc/90/87/03/574908703.db2.gz GMWDCYXYSBMBRN-VIFPVBQESA-N 1 2 280.315 1.453 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CCc2csc(C)n2)CC1 ZINC000733160412 575102891 /nfs/dbraw/zinc/10/28/91/575102891.db2.gz ABTPYALSRUASQK-UHFFFAOYSA-N 1 2 277.393 1.162 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)C(C)(C)c2cccs2)CC1 ZINC000734435500 575346441 /nfs/dbraw/zinc/34/64/41/575346441.db2.gz KALZIMOCYKURRH-UHFFFAOYSA-N 1 2 276.405 1.803 20 30 CDEDLO FC(F)(F)CN[NH+]=Cc1cnc(N2CCOCC2)s1 ZINC000769816428 575388808 /nfs/dbraw/zinc/38/88/08/575388808.db2.gz ZWGRSGIDTCYOEP-UHFFFAOYSA-N 1 2 294.302 1.466 20 30 CDEDLO CC(C)c1[nH+]c(C=NN2C(=O)CNC2=O)c2ccccn21 ZINC000770606609 575472622 /nfs/dbraw/zinc/47/26/22/575472622.db2.gz CIWMMEICXBMOEG-UHFFFAOYSA-N 1 2 285.307 1.343 20 30 CDEDLO C[C@H](C#N)CNN=Cc1ccc(C=[NH+]NC[C@H](C)C#N)cc1 ZINC000771106432 575549761 /nfs/dbraw/zinc/54/97/61/575549761.db2.gz DJVOMBARGNTIQN-ZIAGYGMSSA-N 1 2 296.378 1.853 20 30 CDEDLO C=CC[N@@H+](Cn1cc(C)n(-c2cc(C)on2)c1=O)C1CC1 ZINC000771641947 575600559 /nfs/dbraw/zinc/60/05/59/575600559.db2.gz ODBIVIJHTQXAJD-UHFFFAOYSA-N 1 2 288.351 1.852 20 30 CDEDLO C=CC[N@H+](Cn1cc(C)n(-c2cc(C)on2)c1=O)C1CC1 ZINC000771641947 575600562 /nfs/dbraw/zinc/60/05/62/575600562.db2.gz ODBIVIJHTQXAJD-UHFFFAOYSA-N 1 2 288.351 1.852 20 30 CDEDLO C[C@@H]1CC(=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)CCO1 ZINC000773205921 575791289 /nfs/dbraw/zinc/79/12/89/575791289.db2.gz BBWQUXXJMNILQY-USWWRNFRSA-N 1 2 250.346 1.401 20 30 CDEDLO C[C@@H]1CC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)CCO1 ZINC000773205921 575791292 /nfs/dbraw/zinc/79/12/92/575791292.db2.gz BBWQUXXJMNILQY-USWWRNFRSA-N 1 2 250.346 1.401 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)Cc1ccccc1CC#N ZINC000773851682 575841373 /nfs/dbraw/zinc/84/13/73/575841373.db2.gz HXVRIRDZNGNTCJ-UHFFFAOYSA-N 1 2 282.347 1.388 20 30 CDEDLO C[C@@H]1C[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)CCS1 ZINC000766619831 576116689 /nfs/dbraw/zinc/11/66/89/576116689.db2.gz NSUFBLNVSVRUIR-LLVKDONJSA-N 1 2 289.404 1.603 20 30 CDEDLO C[C@@H]1C[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)CCS1 ZINC000766619831 576116690 /nfs/dbraw/zinc/11/66/90/576116690.db2.gz NSUFBLNVSVRUIR-LLVKDONJSA-N 1 2 289.404 1.603 20 30 CDEDLO N#CCCNC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000767731837 576225301 /nfs/dbraw/zinc/22/53/01/576225301.db2.gz RFRFHVJGILRLRO-UHFFFAOYSA-N 1 2 294.358 1.677 20 30 CDEDLO N#CCCNC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000767731837 576225303 /nfs/dbraw/zinc/22/53/03/576225303.db2.gz RFRFHVJGILRLRO-UHFFFAOYSA-N 1 2 294.358 1.677 20 30 CDEDLO COc1ccc(N=NCc2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000767800619 576230252 /nfs/dbraw/zinc/23/02/52/576230252.db2.gz BZSSUQUXTIDHGA-UHFFFAOYSA-N 1 2 261.241 1.773 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)COC2 ZINC000768899556 576316613 /nfs/dbraw/zinc/31/66/13/576316613.db2.gz FAXUPHXZAFSYQP-HNNXBMFYSA-N 1 2 270.332 1.753 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)COC2 ZINC000768899556 576316614 /nfs/dbraw/zinc/31/66/14/576316614.db2.gz FAXUPHXZAFSYQP-HNNXBMFYSA-N 1 2 270.332 1.753 20 30 CDEDLO C[C@@H](C#N)OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741390469 576554761 /nfs/dbraw/zinc/55/47/61/576554761.db2.gz YRGZLTUJZWQTDF-GXTWGEPZSA-N 1 2 274.320 1.343 20 30 CDEDLO C[C@@H](C#N)OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741390469 576554763 /nfs/dbraw/zinc/55/47/63/576554763.db2.gz YRGZLTUJZWQTDF-GXTWGEPZSA-N 1 2 274.320 1.343 20 30 CDEDLO N#CC1(OC(=O)Cc2cn3ccccc3[nH+]2)CCC1 ZINC000762091741 576619139 /nfs/dbraw/zinc/61/91/39/576619139.db2.gz PRAJQVFSSYDJDP-UHFFFAOYSA-N 1 2 255.277 1.866 20 30 CDEDLO COCC#CC[N@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000762920324 576692775 /nfs/dbraw/zinc/69/27/75/576692775.db2.gz VIVSOBUHGPWKDR-UHFFFAOYSA-N 1 2 269.348 1.954 20 30 CDEDLO COCC#CC[N@@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000762920324 576692776 /nfs/dbraw/zinc/69/27/76/576692776.db2.gz VIVSOBUHGPWKDR-UHFFFAOYSA-N 1 2 269.348 1.954 20 30 CDEDLO Oc1c(F)cc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)cc1F ZINC000753931247 576866720 /nfs/dbraw/zinc/86/67/20/576866720.db2.gz YADWTHWEDZVVMM-RYUDHWBXSA-N 1 2 294.305 1.864 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1scnc1CC ZINC000747483148 576872370 /nfs/dbraw/zinc/87/23/70/576872370.db2.gz UNGJEHFMSWPMNN-NSHDSACASA-N 1 2 263.366 1.742 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1scnc1CC ZINC000747483148 576872371 /nfs/dbraw/zinc/87/23/71/576872371.db2.gz UNGJEHFMSWPMNN-NSHDSACASA-N 1 2 263.366 1.742 20 30 CDEDLO C#CCNC(=O)CO[NH+]=C(N)Cc1ccccc1Cl ZINC000747827051 576885939 /nfs/dbraw/zinc/88/59/39/576885939.db2.gz ZNBJKGOSMNMBPJ-UHFFFAOYSA-N 1 2 279.727 1.130 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)O[NH+]=C(N)COC(C)C ZINC000748776290 576924535 /nfs/dbraw/zinc/92/45/35/576924535.db2.gz DQRSTNBTOFNICR-LBPRGKRZSA-N 1 2 285.388 1.723 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CN2CCc3c2cccc3C)CC1 ZINC000748814782 576926404 /nfs/dbraw/zinc/92/64/04/576926404.db2.gz GOGKAYIEVZSTMW-UHFFFAOYSA-N 1 2 297.402 1.135 20 30 CDEDLO CC(C)CCNC(=S)NN=Cc1c[nH+]cn1C ZINC000755571521 576949821 /nfs/dbraw/zinc/94/98/21/576949821.db2.gz CDPWJRLBEAFKIL-UHFFFAOYSA-N 1 2 253.375 1.264 20 30 CDEDLO Cn1c[nH+]cc1CN=Nc1ncnc2sccc21 ZINC000755588863 576950222 /nfs/dbraw/zinc/95/02/22/576950222.db2.gz KFVVYVMTRGTGIV-UHFFFAOYSA-N 1 2 258.310 1.871 20 30 CDEDLO CC(C)CNC(=O)NC(=O)C[N@H+](CCC#N)CC(C)C ZINC000755670088 576954470 /nfs/dbraw/zinc/95/44/70/576954470.db2.gz NPGLQOPZTFWDHR-UHFFFAOYSA-N 1 2 282.388 1.340 20 30 CDEDLO CC(C)CNC(=O)NC(=O)C[N@@H+](CCC#N)CC(C)C ZINC000755670088 576954471 /nfs/dbraw/zinc/95/44/71/576954471.db2.gz NPGLQOPZTFWDHR-UHFFFAOYSA-N 1 2 282.388 1.340 20 30 CDEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@H](OC)C2)c1C#N ZINC000756550815 576994910 /nfs/dbraw/zinc/99/49/10/576994910.db2.gz DMQIDLAZEOLYCW-GFCCVEGCSA-N 1 2 274.320 1.566 20 30 CDEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](OC)C2)c1C#N ZINC000756550815 576994912 /nfs/dbraw/zinc/99/49/12/576994912.db2.gz DMQIDLAZEOLYCW-GFCCVEGCSA-N 1 2 274.320 1.566 20 30 CDEDLO COC(=O)c1cccc(C[N@@H+]2CCOC[C@H](C)C2)c1C#N ZINC000756623318 576997643 /nfs/dbraw/zinc/99/76/43/576997643.db2.gz XIAJLVCUCSRNNK-GFCCVEGCSA-N 1 2 288.347 1.813 20 30 CDEDLO COC(=O)c1cccc(C[N@H+]2CCOC[C@H](C)C2)c1C#N ZINC000756623318 576997644 /nfs/dbraw/zinc/99/76/44/576997644.db2.gz XIAJLVCUCSRNNK-GFCCVEGCSA-N 1 2 288.347 1.813 20 30 CDEDLO C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC000820924323 598191792 /nfs/dbraw/zinc/19/17/92/598191792.db2.gz PGUQYMPRDMHPSP-LBPRGKRZSA-N 1 2 287.363 1.585 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(Cl)n(C)n2)C1 ZINC000950830061 612991875 /nfs/dbraw/zinc/99/18/75/612991875.db2.gz VTMNEIJUOSAPKO-UHFFFAOYSA-N 1 2 294.786 1.243 20 30 CDEDLO C#CCCN1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823845356 608079814 /nfs/dbraw/zinc/07/98/14/608079814.db2.gz PAVSXFUZGFOFHT-UHFFFAOYSA-N 1 2 296.378 1.008 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(OCC)no2)C1 ZINC000950898196 612991697 /nfs/dbraw/zinc/99/16/97/612991697.db2.gz HQEDYIJGZGJYTC-UHFFFAOYSA-N 1 2 291.351 1.243 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cccnc2C)C1 ZINC000951581216 612992489 /nfs/dbraw/zinc/99/24/89/612992489.db2.gz RGBIUEOPNUSONJ-UHFFFAOYSA-N 1 2 271.364 1.560 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3C=CCC3)C2)C1 ZINC000972247211 613211216 /nfs/dbraw/zinc/21/12/16/613211216.db2.gz BXAYORSKYILWGP-WBVHZDCISA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3C=CCC3)C2)C1 ZINC000972247211 613211218 /nfs/dbraw/zinc/21/12/18/613211218.db2.gz BXAYORSKYILWGP-WBVHZDCISA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cccc3nc[nH]c32)C[C@H]1C ZINC000947840364 613237170 /nfs/dbraw/zinc/23/71/70/613237170.db2.gz DKUZLBTWOTZQCL-CHWSQXEVSA-N 1 2 296.374 1.779 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc3nc[nH]c32)C[C@H]1C ZINC000947840364 613237171 /nfs/dbraw/zinc/23/71/71/613237171.db2.gz DKUZLBTWOTZQCL-CHWSQXEVSA-N 1 2 296.374 1.779 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC000965501555 613250020 /nfs/dbraw/zinc/25/00/20/613250020.db2.gz OWEQLMCHNGLGCL-JQWIXIFHSA-N 1 2 277.393 1.525 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC000965501555 613250022 /nfs/dbraw/zinc/25/00/22/613250022.db2.gz OWEQLMCHNGLGCL-JQWIXIFHSA-N 1 2 277.393 1.525 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[C@H]2OC)C1 ZINC000950666526 613294363 /nfs/dbraw/zinc/29/43/63/613294363.db2.gz HQWNSIZFNUBLGV-HUUCEWRRSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCO[C@@H](C)C2)C1 ZINC000957048590 613294558 /nfs/dbraw/zinc/29/45/58/613294558.db2.gz ANTKZHNKNZHPRS-UONOGXRCSA-N 1 2 280.412 1.910 20 30 CDEDLO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc2nc(C)[nH]c21 ZINC000962235575 613320150 /nfs/dbraw/zinc/32/01/50/613320150.db2.gz FRRIFGZAQASPOW-NHAGDIPZSA-N 1 2 294.358 1.165 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc2nc(C)[nH]c21 ZINC000962235575 613320152 /nfs/dbraw/zinc/32/01/52/613320152.db2.gz FRRIFGZAQASPOW-NHAGDIPZSA-N 1 2 294.358 1.165 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ncc(F)cc2F)CC1 ZINC000948895641 613322271 /nfs/dbraw/zinc/32/22/71/613322271.db2.gz KXSRZULLLUMMPG-UHFFFAOYSA-N 1 2 281.306 1.694 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(C)n[nH]2)C1 ZINC000971148764 613368906 /nfs/dbraw/zinc/36/89/06/613368906.db2.gz DRVMLOYDIUUENI-LLVKDONJSA-N 1 2 282.775 1.617 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C)n[nH]2)C1 ZINC000971148764 613368907 /nfs/dbraw/zinc/36/89/07/613368907.db2.gz DRVMLOYDIUUENI-LLVKDONJSA-N 1 2 282.775 1.617 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 ZINC000971148764 613368908 /nfs/dbraw/zinc/36/89/08/613368908.db2.gz DRVMLOYDIUUENI-LLVKDONJSA-N 1 2 282.775 1.617 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 ZINC000971148764 613368909 /nfs/dbraw/zinc/36/89/09/613368909.db2.gz DRVMLOYDIUUENI-LLVKDONJSA-N 1 2 282.775 1.617 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000970456847 613371602 /nfs/dbraw/zinc/37/16/02/613371602.db2.gz GIWQXIYFSPZXPZ-ZRJCITRHSA-N 1 2 298.814 1.743 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2CCOCC2)C1 ZINC000969195478 613372111 /nfs/dbraw/zinc/37/21/11/613372111.db2.gz IHQGGYYTOBFFSK-NSHDSACASA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2C)C1 ZINC000970278804 613372139 /nfs/dbraw/zinc/37/21/39/613372139.db2.gz HSJPBKNKPLQVLZ-UBHAPETDSA-N 1 2 256.777 1.831 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2n[nH]cc2C)C1 ZINC000965985474 613377764 /nfs/dbraw/zinc/37/77/64/613377764.db2.gz PKAZPLGWYNGICL-CABZTGNLSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2n[nH]cc2C)C1 ZINC000965985474 613377765 /nfs/dbraw/zinc/37/77/65/613377765.db2.gz PKAZPLGWYNGICL-CABZTGNLSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cn(C)cn2)C1 ZINC000965904417 613377972 /nfs/dbraw/zinc/37/79/72/613377972.db2.gz AEMSTPBTFTWSMC-JQWIXIFHSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cn(C)cn2)C1 ZINC000965904417 613377973 /nfs/dbraw/zinc/37/79/73/613377973.db2.gz AEMSTPBTFTWSMC-JQWIXIFHSA-N 1 2 296.802 1.613 20 30 CDEDLO C=CCC[NH+]1CCN(C(=O)c2cccc3n[nH]cc32)CC1 ZINC000949582986 613510740 /nfs/dbraw/zinc/51/07/40/613510740.db2.gz BNJMQOFGMDRNBH-UHFFFAOYSA-N 1 2 284.363 1.897 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2cncs2)CC1 ZINC000980777745 613556180 /nfs/dbraw/zinc/55/61/80/613556180.db2.gz SJIQBBTYLDJWKM-UHFFFAOYSA-N 1 2 263.366 1.314 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2cncs2)CC1 ZINC000980777745 613556184 /nfs/dbraw/zinc/55/61/84/613556184.db2.gz SJIQBBTYLDJWKM-UHFFFAOYSA-N 1 2 263.366 1.314 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2CCC(F)(F)C2)CC1 ZINC000948682826 613562613 /nfs/dbraw/zinc/56/26/13/613562613.db2.gz HIAXSQTVDIZPJC-ZDUSSCGKSA-N 1 2 284.350 1.979 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2cc(=O)[nH]c(CC)c2)CC1 ZINC000949323412 613567329 /nfs/dbraw/zinc/56/73/29/613567329.db2.gz GIKYICVAJPWZDG-UHFFFAOYSA-N 1 2 287.363 1.131 20 30 CDEDLO N#Cc1ccc(N2CCN(c3cccc[nH+]3)CC2)c(CO)c1 ZINC000891434672 617391895 /nfs/dbraw/zinc/39/18/95/617391895.db2.gz PSQZDSOOYAGKPS-UHFFFAOYSA-N 1 2 294.358 1.772 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2[nH]ncc2F)C[C@H]1C ZINC000947697088 613606265 /nfs/dbraw/zinc/60/62/65/613606265.db2.gz AWSJHTFGGZXFPP-MNOVXSKESA-N 1 2 278.331 1.155 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2[nH]ncc2F)C[C@H]1C ZINC000947697088 613606266 /nfs/dbraw/zinc/60/62/66/613606266.db2.gz AWSJHTFGGZXFPP-MNOVXSKESA-N 1 2 278.331 1.155 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC000952306228 613654806 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C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC(C)(C)C)C2)C1 ZINC000972250233 613723825 /nfs/dbraw/zinc/72/38/25/613723825.db2.gz VKAIZJLPSYKRHY-INIZCTEOSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccco3)C2)C1 ZINC000972225611 613724166 /nfs/dbraw/zinc/72/41/66/613724166.db2.gz ACAMKNDJSJOTIN-HNNXBMFYSA-N 1 2 276.336 1.383 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccco3)C2)C1 ZINC000972225611 613724167 /nfs/dbraw/zinc/72/41/67/613724167.db2.gz ACAMKNDJSJOTIN-HNNXBMFYSA-N 1 2 276.336 1.383 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)C3CC3)C2)C1 ZINC000972512107 613725340 /nfs/dbraw/zinc/72/53/40/613725340.db2.gz PUQSOHALUDTFGD-QGZVFWFLSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)C3CC3)C2)C1 ZINC000972512107 613725343 /nfs/dbraw/zinc/72/53/43/613725343.db2.gz PUQSOHALUDTFGD-QGZVFWFLSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(CF)CC3)C2)C1 ZINC000972546612 613725489 /nfs/dbraw/zinc/72/54/89/613725489.db2.gz 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/nfs/dbraw/zinc/43/85/05/617438505.db2.gz ZOXQGSGCKINKLL-UHFFFAOYSA-N 1 2 294.362 1.687 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C)c2)C1 ZINC000891607211 617501750 /nfs/dbraw/zinc/50/17/50/617501750.db2.gz SJWVFKZKBCRCRS-OAHLLOKOSA-N 1 2 299.374 1.147 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C)c2)C1 ZINC000891607211 617501754 /nfs/dbraw/zinc/50/17/54/617501754.db2.gz SJWVFKZKBCRCRS-OAHLLOKOSA-N 1 2 299.374 1.147 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(C#N)cc1CO ZINC000891783933 617587935 /nfs/dbraw/zinc/58/79/35/617587935.db2.gz PIKUKKQJDMTXPL-NSHDSACASA-N 1 2 256.309 1.748 20 30 CDEDLO C[C@@H](C#N)C[NH2+]Cc1ncc(Br)cc1O ZINC000893545678 618091533 /nfs/dbraw/zinc/09/15/33/618091533.db2.gz WEMYQQCMFZETPC-ZETCQYMHSA-N 1 2 270.130 1.799 20 30 CDEDLO C#CCn1ccc(CN(CC)c2cc(N(C)C)[nH+]cn2)n1 ZINC000893563586 618128888 /nfs/dbraw/zinc/12/88/88/618128888.db2.gz GXKAIZGTANMSMP-UHFFFAOYSA-N 1 2 284.367 1.399 20 30 CDEDLO C#CCn1ccc(CN(CC)c2cc(N(C)C)nc[nH+]2)n1 ZINC000893563586 618128902 /nfs/dbraw/zinc/12/89/02/618128902.db2.gz GXKAIZGTANMSMP-UHFFFAOYSA-N 1 2 284.367 1.399 20 30 CDEDLO CC[C@@H](CO)Nc1cc(N2CCC(CC#N)CC2)nc[nH+]1 ZINC000893120022 618200350 /nfs/dbraw/zinc/20/03/50/618200350.db2.gz YCUPUMHGYSAPST-ZDUSSCGKSA-N 1 2 289.383 1.789 20 30 CDEDLO CC[C@@H](CO)Nc1cc(N2CCC(CC#N)CC2)[nH+]cn1 ZINC000893120022 618200353 /nfs/dbraw/zinc/20/03/53/618200353.db2.gz YCUPUMHGYSAPST-ZDUSSCGKSA-N 1 2 289.383 1.789 20 30 CDEDLO C=CCN(Cc1c(C)cc[nH+]c1N)[C@H]1CCS(=O)(=O)C1 ZINC000893968435 618228077 /nfs/dbraw/zinc/22/80/77/618228077.db2.gz IHCDMXUYZMDEME-LBPRGKRZSA-N 1 2 295.408 1.147 20 30 CDEDLO N#CCC[N@@H+](Cc1ccnc(-c2nn[nH]n2)c1)CC1CC1 ZINC000826381997 618590861 /nfs/dbraw/zinc/59/08/61/618590861.db2.gz JYUMZSCZHCIKRX-UHFFFAOYSA-N 1 2 283.339 1.387 20 30 CDEDLO N#CCC[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)CC1CC1 ZINC000826381997 618590868 /nfs/dbraw/zinc/59/08/68/618590868.db2.gz JYUMZSCZHCIKRX-UHFFFAOYSA-N 1 2 283.339 1.387 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(O)cc(Cl)c2)C1 ZINC000895106166 619294776 /nfs/dbraw/zinc/29/47/76/619294776.db2.gz CXMKGMAYITYTNT-CYBMUJFWSA-N 1 2 266.728 1.896 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(O)cc(Cl)c2)C1 ZINC000895106166 619294779 /nfs/dbraw/zinc/29/47/79/619294779.db2.gz CXMKGMAYITYTNT-CYBMUJFWSA-N 1 2 266.728 1.896 20 30 CDEDLO Cc1cc(N2CC[NH+](Cc3cn[nH]c3)CC2)c(C#N)cn1 ZINC000895960830 619917268 /nfs/dbraw/zinc/91/72/68/619917268.db2.gz ZEQNZLHRQOKNLX-UHFFFAOYSA-N 1 2 282.351 1.307 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)C#CC(C)(C)C ZINC000928649063 620334453 /nfs/dbraw/zinc/33/44/53/620334453.db2.gz VYWSZMSYRFPPFU-CYBMUJFWSA-N 1 2 266.385 1.263 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898491920 621761721 /nfs/dbraw/zinc/76/17/21/621761721.db2.gz PCJUEMFSTNJSOJ-CHWSQXEVSA-N 1 2 272.364 1.518 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898491920 621761729 /nfs/dbraw/zinc/76/17/29/621761729.db2.gz PCJUEMFSTNJSOJ-CHWSQXEVSA-N 1 2 272.364 1.518 20 30 CDEDLO CC[C@@](C)(C#N)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000900464519 623095917 /nfs/dbraw/zinc/09/59/17/623095917.db2.gz ONCDQTYXPLAEPG-OCCSQVGLSA-N 1 2 275.356 1.598 20 30 CDEDLO CC[C@@](C)(C#N)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000900464519 623095929 /nfs/dbraw/zinc/09/59/29/623095929.db2.gz ONCDQTYXPLAEPG-OCCSQVGLSA-N 1 2 275.356 1.598 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1CCN(Cc2ccccc2F)C1=O ZINC000902244070 624602556 /nfs/dbraw/zinc/60/25/56/624602556.db2.gz QCINUJLXVXUMSF-CYBMUJFWSA-N 1 2 289.354 1.974 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1CCN(Cc2ccccc2F)C1=O ZINC000902244070 624602558 /nfs/dbraw/zinc/60/25/58/624602558.db2.gz QCINUJLXVXUMSF-CYBMUJFWSA-N 1 2 289.354 1.974 20 30 CDEDLO C=CCCC[C@@H]([NH3+])c1nc(CS(=O)(=O)CCC)no1 ZINC000904688412 626333636 /nfs/dbraw/zinc/33/36/36/626333636.db2.gz ANHIZZCPTWXIKI-SNVBAGLBSA-N 1 2 287.385 1.751 20 30 CDEDLO Cc1[nH]c(CNC(=O)c2ccsc2C#N)[nH+]c1C ZINC000906945752 627465141 /nfs/dbraw/zinc/46/51/41/627465141.db2.gz KFYLWQGEKLNYML-UHFFFAOYSA-N 1 2 260.322 1.890 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)/C=C\c1ccccc1C#N ZINC000915626867 631781007 /nfs/dbraw/zinc/78/10/07/631781007.db2.gz ZDTDUZFIHUSLLM-AFNCTOJWSA-N 1 2 299.374 1.408 20 30 CDEDLO CC1N=NC(=S)N1N=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000917027213 632129854 /nfs/dbraw/zinc/12/98/54/632129854.db2.gz YTZVDBAUJWZRTB-UHFFFAOYSA-N 1 2 284.348 1.943 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nnc(CC)o3)C[C@H]21 ZINC001114004643 1162400132 /nfs/dbraw/zinc/40/01/32/1162400132.db2.gz KBMRWSSTJBFCRJ-HBYGRHMLSA-N 1 2 290.367 1.145 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nnc(CC)o3)C[C@H]21 ZINC001114004643 1162400135 /nfs/dbraw/zinc/40/01/35/1162400135.db2.gz KBMRWSSTJBFCRJ-HBYGRHMLSA-N 1 2 290.367 1.145 20 30 CDEDLO COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001170543884 1162807417 /nfs/dbraw/zinc/80/74/17/1162807417.db2.gz QPKMQSSLXKGTKG-JLLWLGSASA-N 1 2 281.377 1.602 20 30 CDEDLO COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001170543884 1162807422 /nfs/dbraw/zinc/80/74/22/1162807422.db2.gz QPKMQSSLXKGTKG-JLLWLGSASA-N 1 2 281.377 1.602 20 30 CDEDLO COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001170543884 1162807429 /nfs/dbraw/zinc/80/74/29/1162807429.db2.gz QPKMQSSLXKGTKG-JLLWLGSASA-N 1 2 281.377 1.602 20 30 CDEDLO COC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001170543884 1162807438 /nfs/dbraw/zinc/80/74/38/1162807438.db2.gz QPKMQSSLXKGTKG-JLLWLGSASA-N 1 2 281.377 1.602 20 30 CDEDLO Cc1c[nH+]cc(C)c1NC(=O)c1ccc(C#N)c(C)n1 ZINC001625884580 1159452686 /nfs/dbraw/zinc/45/26/86/1159452686.db2.gz RHZYTKWSBFXZKY-UHFFFAOYSA-N 1 2 266.304 1.948 20 30 CDEDLO C#CC(=O)N1C[C@@H]2COC[C@H](C1)[N@@H+]2C[C@@H](CC)CCCC ZINC001268942497 1160024514 /nfs/dbraw/zinc/02/45/14/1160024514.db2.gz VBFUQXIFAYSFMZ-HRCADAONSA-N 1 2 292.423 1.748 20 30 CDEDLO C#CC(=O)N1C[C@@H]2COC[C@H](C1)[N@H+]2C[C@@H](CC)CCCC ZINC001268942497 1160024519 /nfs/dbraw/zinc/02/45/19/1160024519.db2.gz VBFUQXIFAYSFMZ-HRCADAONSA-N 1 2 292.423 1.748 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccn(C)n2)C1 ZINC001131898383 1163101100 /nfs/dbraw/zinc/10/11/00/1163101100.db2.gz ABWSXJKUYOJCLV-ZIAGYGMSSA-N 1 2 290.411 1.855 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccn(C)n2)C1 ZINC001131898383 1163101106 /nfs/dbraw/zinc/10/11/06/1163101106.db2.gz ABWSXJKUYOJCLV-ZIAGYGMSSA-N 1 2 290.411 1.855 20 30 CDEDLO Cc1nc(N[C@H](C)[C@@H](C)NC(=O)C#CC2CC2)cc[nH+]1 ZINC001113036272 1162081122 /nfs/dbraw/zinc/08/11/22/1162081122.db2.gz MZLNUSUIMQLUEB-GHMZBOCLSA-N 1 2 272.352 1.504 20 30 CDEDLO C#CCOCCC(=O)N[C@@H](C)[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001113166942 1162120519 /nfs/dbraw/zinc/12/05/19/1162120519.db2.gz ZAANIMSDNVFWOZ-RYUDHWBXSA-N 1 2 290.367 1.130 20 30 CDEDLO C#CCOCCC(=O)N[C@H](C)[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001113166941 1162120768 /nfs/dbraw/zinc/12/07/68/1162120768.db2.gz ZAANIMSDNVFWOZ-NWDGAFQWSA-N 1 2 290.367 1.130 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](CCC)OC)CC1 ZINC001113186712 1162127130 /nfs/dbraw/zinc/12/71/30/1162127130.db2.gz DEPZZQJZKLBXFK-CYBMUJFWSA-N 1 2 254.374 1.522 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nc([C@@H](C)OC)no1 ZINC001132402263 1163268717 /nfs/dbraw/zinc/26/87/17/1163268717.db2.gz NTUDNBRZBUBDFU-SNVBAGLBSA-N 1 2 296.371 1.195 20 30 CDEDLO C=CCC1(C(=O)NCC[NH2+]Cc2nnc(CC)o2)CCC1 ZINC001133392348 1163670165 /nfs/dbraw/zinc/67/01/65/1163670165.db2.gz SJYPGLVNFKHTJO-UHFFFAOYSA-N 1 2 292.383 1.584 20 30 CDEDLO Cn1cc[nH+]c1NN=Cc1cccc(-c2nn[nH]n2)c1 ZINC001606256754 1163829936 /nfs/dbraw/zinc/82/99/36/1163829936.db2.gz YSXNBPIPCNYWHB-UHFFFAOYSA-N 1 2 268.284 1.046 20 30 CDEDLO Cn1cc[nH+]c1NN=C1CCc2ccc(-c3nn[nH]n3)cc21 ZINC001606256719 1163830099 /nfs/dbraw/zinc/83/00/99/1163830099.db2.gz XBYJJTBNKORIJQ-UHFFFAOYSA-N 1 2 294.322 1.363 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001588325520 1173025014 /nfs/dbraw/zinc/02/50/14/1173025014.db2.gz NTEAULHNNILYBK-SECBINFHSA-N 1 2 259.288 1.459 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001588325520 1173025022 /nfs/dbraw/zinc/02/50/22/1173025022.db2.gz NTEAULHNNILYBK-SECBINFHSA-N 1 2 259.288 1.459 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)F ZINC001716011096 1179983033 /nfs/dbraw/zinc/98/30/33/1179983033.db2.gz VLXQJHCKHVEDPJ-VIFPVBQESA-N 1 2 250.745 1.924 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)F ZINC001716011096 1179983038 /nfs/dbraw/zinc/98/30/38/1179983038.db2.gz VLXQJHCKHVEDPJ-VIFPVBQESA-N 1 2 250.745 1.924 20 30 CDEDLO N#CCNC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001724779042 1181749206 /nfs/dbraw/zinc/74/92/06/1181749206.db2.gz XIIZBLCRHYLQQN-JHJVBQTASA-N 1 2 287.367 1.007 20 30 CDEDLO N#CCNC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001724779042 1181749214 /nfs/dbraw/zinc/74/92/14/1181749214.db2.gz XIIZBLCRHYLQQN-JHJVBQTASA-N 1 2 287.367 1.007 20 30 CDEDLO C[C@@H](C#N)C(=O)NCCC[N@H+](Cc1cscn1)C1CC1 ZINC001752246979 1184842604 /nfs/dbraw/zinc/84/26/04/1184842604.db2.gz KFHDGJRQCVQQEA-NSHDSACASA-N 1 2 292.408 1.773 20 30 CDEDLO C[C@@H](C#N)C(=O)NCCC[N@@H+](Cc1cscn1)C1CC1 ZINC001752246979 1184842610 /nfs/dbraw/zinc/84/26/10/1184842610.db2.gz KFHDGJRQCVQQEA-NSHDSACASA-N 1 2 292.408 1.773 20 30 CDEDLO CC#CC[NH+]1CCC(N(C)C(=O)C(F)C(F)(F)F)CC1 ZINC001752301030 1184849466 /nfs/dbraw/zinc/84/94/66/1184849466.db2.gz AUXGJARCKVAWTI-NSHDSACASA-N 1 2 294.292 1.833 20 30 CDEDLO CC#CC[NH+]1CCC(N(C)C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001752301030 1184849473 /nfs/dbraw/zinc/84/94/73/1184849473.db2.gz AUXGJARCKVAWTI-NSHDSACASA-N 1 2 294.292 1.833 20 30 CDEDLO CCC[C@H](C(=O)NCC[NH+]1CCN(CC#N)CC1)C(C)C ZINC001752374599 1184854817 /nfs/dbraw/zinc/85/48/17/1184854817.db2.gz KLCNYJNCYPCEIZ-HNNXBMFYSA-N 1 2 294.443 1.316 20 30 CDEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]([NH2+]CC(F)(F)C(F)F)C1 ZINC001752653184 1184888941 /nfs/dbraw/zinc/88/89/41/1184888941.db2.gz MPIYQAOOVLKCHK-MGCOHNPYSA-N 1 2 292.276 1.537 20 30 CDEDLO C=CCOCC[NH+]1CC(NC(=O)c2ccn(CC)c2C)C1 ZINC001753385460 1185179705 /nfs/dbraw/zinc/17/97/05/1185179705.db2.gz VAHNODRWYPRMJZ-UHFFFAOYSA-N 1 2 291.395 1.433 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)COc2ccsc2)C1 ZINC001753391782 1185182672 /nfs/dbraw/zinc/18/26/72/1185182672.db2.gz BVWFSWOQQPZABT-UHFFFAOYSA-N 1 2 266.366 1.503 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)Oc2ccccc2)C1 ZINC001753391943 1185182780 /nfs/dbraw/zinc/18/27/80/1185182780.db2.gz GPKVFDMOAWKQDE-CYBMUJFWSA-N 1 2 272.348 1.278 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NC/C=C/C[NH2+]Cc1cnon1 ZINC001754156288 1185485497 /nfs/dbraw/zinc/48/54/97/1185485497.db2.gz JSWFPLIHWQLMPD-AATRIKPKSA-N 1 2 278.356 1.434 20 30 CDEDLO C#CCCCC(=O)N[C@H](C)C[NH2+]Cc1nnc(CC)o1 ZINC001754223485 1185514032 /nfs/dbraw/zinc/51/40/32/1185514032.db2.gz ZOKGCWPXWITNTJ-LLVKDONJSA-N 1 2 278.356 1.030 20 30 CDEDLO C=CCCC(=O)N[C@@H](C)C[NH2+]Cc1nc(C2CCC2)no1 ZINC001754260685 1185536635 /nfs/dbraw/zinc/53/66/35/1185536635.db2.gz JBKGWAYTYQOBPU-NSHDSACASA-N 1 2 292.383 1.898 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnccn1 ZINC001754300291 1185560755 /nfs/dbraw/zinc/56/07/55/1185560755.db2.gz SESANCOILJSCHP-SNVBAGLBSA-N 1 2 268.748 1.279 20 30 CDEDLO C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(F)C(F)(F)F)CC1 ZINC001754952590 1185768621 /nfs/dbraw/zinc/76/86/21/1185768621.db2.gz BENPPMVKNVZUJS-DCAQKATOSA-N 1 2 294.292 1.785 20 30 CDEDLO C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001754952590 1185768627 /nfs/dbraw/zinc/76/86/27/1185768627.db2.gz BENPPMVKNVZUJS-DCAQKATOSA-N 1 2 294.292 1.785 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)CC(C)(C)C=C)CO2 ZINC001755061141 1185803960 /nfs/dbraw/zinc/80/39/60/1185803960.db2.gz GLYSQTMNPUOIED-AWEZNQCLSA-N 1 2 290.407 1.572 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C)CCC)CC2)C1 ZINC001755173793 1185839812 /nfs/dbraw/zinc/83/98/12/1185839812.db2.gz AYGAMDRHOQTNSS-HNNXBMFYSA-N 1 2 292.423 1.749 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)CCC)CC2)C1 ZINC001755173793 1185839819 /nfs/dbraw/zinc/83/98/19/1185839819.db2.gz AYGAMDRHOQTNSS-HNNXBMFYSA-N 1 2 292.423 1.749 20 30 CDEDLO C=CC(C)(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nc(C)no1 ZINC001755237676 1185870603 /nfs/dbraw/zinc/87/06/03/1185870603.db2.gz RBEAXGNGYFGBLN-GHMZBOCLSA-N 1 2 294.399 1.963 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H](C)COC)C1CC1 ZINC001437778187 963176835 /nfs/dbraw/zinc/17/68/35/963176835.db2.gz LGMYSLMNZZYYQF-JTQLQIEISA-N 1 2 274.792 1.602 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)C[C@@H](C)CCC)C1 ZINC000885511679 742847249 /nfs/dbraw/zinc/84/72/49/742847249.db2.gz LKQRBWYCOFZANX-UONOGXRCSA-N 1 2 286.441 1.440 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)C[C@@H](C)CCC)C1 ZINC000885511679 742847251 /nfs/dbraw/zinc/84/72/51/742847251.db2.gz LKQRBWYCOFZANX-UONOGXRCSA-N 1 2 286.441 1.440 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2sc(COC)nc2C)C1 ZINC001031320414 742860256 /nfs/dbraw/zinc/86/02/56/742860256.db2.gz LNMPAVXHOPDEHC-UHFFFAOYSA-N 1 2 295.408 1.588 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1noc2c1C[C@H](C)CC2 ZINC001038869110 742864959 /nfs/dbraw/zinc/86/49/59/742864959.db2.gz DUFUYEDTTKWKNJ-VXGBXAGGSA-N 1 2 287.363 1.237 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1noc2c1C[C@H](C)CC2 ZINC001038869110 742864960 /nfs/dbraw/zinc/86/49/60/742864960.db2.gz DUFUYEDTTKWKNJ-VXGBXAGGSA-N 1 2 287.363 1.237 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)[C@H](C)C2)C1 ZINC000923565845 742868171 /nfs/dbraw/zinc/86/81/71/742868171.db2.gz GPUAQZJCHUIQMX-MCIONIFRSA-N 1 2 276.380 1.206 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)[C@H](C)C2)C1 ZINC000923565845 742868172 /nfs/dbraw/zinc/86/81/72/742868172.db2.gz GPUAQZJCHUIQMX-MCIONIFRSA-N 1 2 276.380 1.206 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCCSCCC=C ZINC000855384098 742946175 /nfs/dbraw/zinc/94/61/75/742946175.db2.gz WIAXNPUODYAEPI-ZDUSSCGKSA-N 1 2 266.410 1.510 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCSCCC=C ZINC000855384098 742946188 /nfs/dbraw/zinc/94/61/88/742946188.db2.gz WIAXNPUODYAEPI-ZDUSSCGKSA-N 1 2 266.410 1.510 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1cc(=O)c(OC)co1 ZINC001038515589 742882759 /nfs/dbraw/zinc/88/27/59/742882759.db2.gz PDNZCJITAAOZFW-NSHDSACASA-N 1 2 292.335 1.029 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1cc(=O)c(OC)co1 ZINC001038515589 742882760 /nfs/dbraw/zinc/88/27/60/742882760.db2.gz PDNZCJITAAOZFW-NSHDSACASA-N 1 2 292.335 1.029 20 30 CDEDLO C=CC[N@H+](CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000066559791 742899062 /nfs/dbraw/zinc/89/90/62/742899062.db2.gz SGQZEXHAZZWLPI-GFCCVEGCSA-N 1 2 285.434 1.966 20 30 CDEDLO C=CC[N@@H+](CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000066559791 742899063 /nfs/dbraw/zinc/89/90/63/742899063.db2.gz SGQZEXHAZZWLPI-GFCCVEGCSA-N 1 2 285.434 1.966 20 30 CDEDLO CC(=NNc1cnnc(O)c1Cl)C1CC[NH+](C)CC1 ZINC000814782893 742931618 /nfs/dbraw/zinc/93/16/18/742931618.db2.gz POWPHFUKNXLRAL-UHFFFAOYSA-N 1 2 283.763 1.965 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1coc(CC)n1 ZINC001050882532 742958810 /nfs/dbraw/zinc/95/88/10/742958810.db2.gz QLZFZMZCRWPOEV-LBPRGKRZSA-N 1 2 293.367 1.244 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1coc(CC)n1 ZINC001050882532 742958842 /nfs/dbraw/zinc/95/88/42/742958842.db2.gz QLZFZMZCRWPOEV-LBPRGKRZSA-N 1 2 293.367 1.244 20 30 CDEDLO C#C[C@H]([NH2+]Cc1ncc(Cl)n1C)[C@H]1CCCO1 ZINC000775783921 742993979 /nfs/dbraw/zinc/99/39/79/742993979.db2.gz FNKMXEJFFRUBOH-VHSXEESVSA-N 1 2 253.733 1.344 20 30 CDEDLO C=CC[N@@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000778160334 743000207 /nfs/dbraw/zinc/00/02/07/743000207.db2.gz FHYHOJVAATVVCB-UHFFFAOYSA-N 1 2 268.320 1.538 20 30 CDEDLO C=CC[N@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000778160334 743000217 /nfs/dbraw/zinc/00/02/17/743000217.db2.gz FHYHOJVAATVVCB-UHFFFAOYSA-N 1 2 268.320 1.538 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1cccc(F)c1 ZINC000884052563 743012902 /nfs/dbraw/zinc/01/29/02/743012902.db2.gz STVKNJPAJWYUEW-ZDUSSCGKSA-N 1 2 294.326 1.231 20 30 CDEDLO Cc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1C#N ZINC000857945476 743045102 /nfs/dbraw/zinc/04/51/02/743045102.db2.gz RJEGPHGPWMJTPX-AWEZNQCLSA-N 1 2 280.331 1.808 20 30 CDEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C(F)=C(C)C)C2)CC1 ZINC001052011322 743329996 /nfs/dbraw/zinc/32/99/96/743329996.db2.gz QOBMILNRUKQYMS-AWEZNQCLSA-N 1 2 293.386 1.102 20 30 CDEDLO C#C[C@@H](CC)NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000854070462 743349804 /nfs/dbraw/zinc/34/98/04/743349804.db2.gz NSZSNMCOCCGRKO-STQMWFEESA-N 1 2 260.341 1.641 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(F)cccc1F ZINC001038954800 743360862 /nfs/dbraw/zinc/36/08/62/743360862.db2.gz VBKIYEWZWHCDCW-LLVKDONJSA-N 1 2 278.302 1.792 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(F)cccc1F ZINC001038954800 743360873 /nfs/dbraw/zinc/36/08/73/743360873.db2.gz VBKIYEWZWHCDCW-LLVKDONJSA-N 1 2 278.302 1.792 20 30 CDEDLO C[N@H+](CC(F)F)C1CCN(c2ncncc2C#N)CC1 ZINC000825807276 743363645 /nfs/dbraw/zinc/36/36/45/743363645.db2.gz BEVWIERDQMZPIW-UHFFFAOYSA-N 1 2 281.310 1.514 20 30 CDEDLO C[N@@H+](CC(F)F)C1CCN(c2ncncc2C#N)CC1 ZINC000825807276 743363656 /nfs/dbraw/zinc/36/36/56/743363656.db2.gz BEVWIERDQMZPIW-UHFFFAOYSA-N 1 2 281.310 1.514 20 30 CDEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)C3CC3)C2)ccc1F ZINC001031508416 743366456 /nfs/dbraw/zinc/36/64/56/743366456.db2.gz DFHDRAUASDQPQO-UHFFFAOYSA-N 1 2 287.338 1.655 20 30 CDEDLO C=CCCC(=O)NCC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001075882989 743367838 /nfs/dbraw/zinc/36/78/38/743367838.db2.gz RSSFKZGXWRGFLU-NSHDSACASA-N 1 2 292.383 1.238 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000823235965 743396702 /nfs/dbraw/zinc/39/67/02/743396702.db2.gz HWWBXJBZKYGISO-GXSJLCMTSA-N 1 2 254.293 1.985 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1cc(F)ncc1F)[C@@H]1CCCO1 ZINC000824196851 743490735 /nfs/dbraw/zinc/49/07/35/743490735.db2.gz YHNCGDSOHIFBRN-NEPJUHHUSA-N 1 2 252.264 1.630 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001058537131 743529458 /nfs/dbraw/zinc/52/94/58/743529458.db2.gz YCCNJVHIRBCZTC-CYBMUJFWSA-N 1 2 286.379 1.836 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cscn1)O2 ZINC001053582822 743629612 /nfs/dbraw/zinc/62/96/12/743629612.db2.gz MZIIRYMAKJTFQU-NSHDSACASA-N 1 2 293.392 1.292 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2nnc(C3CC3)o2)CC1 ZINC000717418877 744965187 /nfs/dbraw/zinc/96/51/87/744965187.db2.gz SAZJXTDCBGOEFU-UHFFFAOYSA-N 1 2 263.341 1.850 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3cn[nH]c32)C1 ZINC001014435231 744974868 /nfs/dbraw/zinc/97/48/68/744974868.db2.gz NIIHYAPBHYRJLO-ZIAGYGMSSA-N 1 2 288.395 1.596 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3cn[nH]c32)C1 ZINC001014435231 744974874 /nfs/dbraw/zinc/97/48/74/744974874.db2.gz NIIHYAPBHYRJLO-ZIAGYGMSSA-N 1 2 288.395 1.596 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)C(=O)N2[C@H](C)CCC[C@H]2C)C1 ZINC001031161413 745008532 /nfs/dbraw/zinc/00/85/32/745008532.db2.gz ONKJBLKEQKSZAT-CHWSQXEVSA-N 1 2 293.411 1.152 20 30 CDEDLO C=CCNC(=O)C[NH2+]Cc1c(F)cccc1OCC ZINC000873102303 745089839 /nfs/dbraw/zinc/08/98/39/745089839.db2.gz JHEKKMARTRAHPK-UHFFFAOYSA-N 1 2 266.316 1.616 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(CCC)c1 ZINC001038759340 745102766 /nfs/dbraw/zinc/10/27/66/745102766.db2.gz YOKGKLSCUNZBKR-AWEZNQCLSA-N 1 2 274.368 1.121 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(CCC)c1 ZINC001038759340 745102800 /nfs/dbraw/zinc/10/28/00/745102800.db2.gz YOKGKLSCUNZBKR-AWEZNQCLSA-N 1 2 274.368 1.121 20 30 CDEDLO Cc1cc(C(N)=[NH+]OC[C@@H]2CCCO2)ccc1F ZINC000794518723 745111633 /nfs/dbraw/zinc/11/16/33/745111633.db2.gz BVVBMTSQLHZGPE-NSHDSACASA-N 1 2 252.289 1.950 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccncc2CC)C1 ZINC001043175436 745111874 /nfs/dbraw/zinc/11/18/74/745111874.db2.gz BXNMTLYFOUZAAW-UHFFFAOYSA-N 1 2 271.364 1.424 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000932162868 745148019 /nfs/dbraw/zinc/14/80/19/745148019.db2.gz XSVGSELIHDOKNK-OCCSQVGLSA-N 1 2 278.327 1.801 20 30 CDEDLO N#C[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000932162868 745148046 /nfs/dbraw/zinc/14/80/46/745148046.db2.gz XSVGSELIHDOKNK-OCCSQVGLSA-N 1 2 278.327 1.801 20 30 CDEDLO COc1cc(F)ccc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000819404884 745165260 /nfs/dbraw/zinc/16/52/60/745165260.db2.gz OTKCJYAUQRLCLV-GFCCVEGCSA-N 1 2 281.331 1.453 20 30 CDEDLO COc1cc(F)ccc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000819404884 745165284 /nfs/dbraw/zinc/16/52/84/745165284.db2.gz OTKCJYAUQRLCLV-GFCCVEGCSA-N 1 2 281.331 1.453 20 30 CDEDLO C[N@H+](Cc1cccc(S(N)(=O)=O)c1)CC(C)(C)C#N ZINC000877549845 745235591 /nfs/dbraw/zinc/23/55/91/745235591.db2.gz JECJFAZGXRYPAE-UHFFFAOYSA-N 1 2 281.381 1.316 20 30 CDEDLO C[N@@H+](Cc1cccc(S(N)(=O)=O)c1)CC(C)(C)C#N ZINC000877549845 745235603 /nfs/dbraw/zinc/23/56/03/745235603.db2.gz JECJFAZGXRYPAE-UHFFFAOYSA-N 1 2 281.381 1.316 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)c2ccccc2n1 ZINC001038420468 745298203 /nfs/dbraw/zinc/29/82/03/745298203.db2.gz ZTXFPOOIMVWACH-CQSZACIVSA-N 1 2 293.370 1.981 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)c2ccccc2n1 ZINC001038420468 745298217 /nfs/dbraw/zinc/29/82/17/745298217.db2.gz ZTXFPOOIMVWACH-CQSZACIVSA-N 1 2 293.370 1.981 20 30 CDEDLO C#CC1CC[NH+]([C@@H](C)C(=O)Nc2nccs2)CC1 ZINC000830334117 745306957 /nfs/dbraw/zinc/30/69/57/745306957.db2.gz XWNCLBGYJKUZNY-JTQLQIEISA-N 1 2 263.366 1.815 20 30 CDEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C(N)=O ZINC000785996183 745319108 /nfs/dbraw/zinc/31/91/08/745319108.db2.gz BVQYDTATTBEVDO-GFCCVEGCSA-N 1 2 287.363 1.765 20 30 CDEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1C(N)=O ZINC000785996183 745319115 /nfs/dbraw/zinc/31/91/15/745319115.db2.gz BVQYDTATTBEVDO-GFCCVEGCSA-N 1 2 287.363 1.765 20 30 CDEDLO C=CCCn1cc(C(=O)N(C)C2C[NH+](CC(=C)C)C2)nn1 ZINC001044028672 745322224 /nfs/dbraw/zinc/32/22/24/745322224.db2.gz UGIMYKGVGYJNGE-UHFFFAOYSA-N 1 2 289.383 1.187 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2ccccc12 ZINC001018069428 745358692 /nfs/dbraw/zinc/35/86/92/745358692.db2.gz QTERINXEBJBUNF-OKILXGFUSA-N 1 2 294.358 1.256 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2ccccc12 ZINC001018069428 745358696 /nfs/dbraw/zinc/35/86/96/745358696.db2.gz QTERINXEBJBUNF-OKILXGFUSA-N 1 2 294.358 1.256 20 30 CDEDLO C=CCC[NH+]1CC(N(C)C(=O)c2cnc(C)s2)C1 ZINC001042529656 745373127 /nfs/dbraw/zinc/37/31/27/745373127.db2.gz MAIGNMGMSWSHIF-UHFFFAOYSA-N 1 2 265.382 1.784 20 30 CDEDLO C#C[C@H]([NH2+][C@@H](C)c1nc(C)cc(=O)[nH]1)[C@@H]1CCCO1 ZINC000790340694 745393578 /nfs/dbraw/zinc/39/35/78/745393578.db2.gz SQPFMPBLVDMQSF-SRVKXCTJSA-N 1 2 261.325 1.322 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)nc3n[nH]c(C)c32)C1 ZINC001031101908 745428261 /nfs/dbraw/zinc/42/82/61/745428261.db2.gz TYQMLSUHCIWDMM-UHFFFAOYSA-N 1 2 297.362 1.012 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnc(C)[nH]2)C1 ZINC001046196030 745436866 /nfs/dbraw/zinc/43/68/66/745436866.db2.gz RMOKONXIOOPKKO-CYBMUJFWSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnc(C)[nH]2)C1 ZINC001046196030 745436892 /nfs/dbraw/zinc/43/68/92/745436892.db2.gz RMOKONXIOOPKKO-CYBMUJFWSA-N 1 2 282.775 1.665 20 30 CDEDLO C=CC[N@@H+](C)CN1C[C@](C)(c2ccccn2)CC1=O ZINC000777542208 745454977 /nfs/dbraw/zinc/45/49/77/745454977.db2.gz WJTVMLGFOMUVOO-OAHLLOKOSA-N 1 2 259.353 1.647 20 30 CDEDLO C=CC[N@H+](C)CN1C[C@](C)(c2ccccn2)CC1=O ZINC000777542208 745454985 /nfs/dbraw/zinc/45/49/85/745454985.db2.gz WJTVMLGFOMUVOO-OAHLLOKOSA-N 1 2 259.353 1.647 20 30 CDEDLO C[C@@H]1C[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004505577 745503419 /nfs/dbraw/zinc/50/34/19/745503419.db2.gz HHTCJJYZZQCXDM-BPLDGKMQSA-N 1 2 275.396 1.869 20 30 CDEDLO C[C@@H]1C[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004505577 745503439 /nfs/dbraw/zinc/50/34/39/745503439.db2.gz HHTCJJYZZQCXDM-BPLDGKMQSA-N 1 2 275.396 1.869 20 30 CDEDLO C=C(C)CN1CC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001038922167 745590103 /nfs/dbraw/zinc/59/01/03/745590103.db2.gz NCKDLBDSNVFQTD-ZDUSSCGKSA-N 1 2 288.395 1.528 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(F)cc1OC ZINC000884077288 745606056 /nfs/dbraw/zinc/60/60/56/745606056.db2.gz HBNOLEBBIMTWHD-JTQLQIEISA-N 1 2 296.298 1.219 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cn2nc(C)cc2C)C1 ZINC001043275682 745676944 /nfs/dbraw/zinc/67/69/44/745676944.db2.gz KUWNPWMEDDRWGW-UHFFFAOYSA-N 1 2 276.384 1.219 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000775178384 745718915 /nfs/dbraw/zinc/71/89/15/745718915.db2.gz JDKZTAOMGWOLQO-JTQLQIEISA-N 1 2 276.292 1.820 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000775178384 745718921 /nfs/dbraw/zinc/71/89/21/745718921.db2.gz JDKZTAOMGWOLQO-JTQLQIEISA-N 1 2 276.292 1.820 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@@H](F)C2)C1 ZINC001043660878 745775349 /nfs/dbraw/zinc/77/53/49/745775349.db2.gz UFTVZVMGSYSDIY-VXGBXAGGSA-N 1 2 254.349 1.843 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000785410004 745817018 /nfs/dbraw/zinc/81/70/18/745817018.db2.gz PKTPGGZZZLDORX-UHFFFAOYSA-N 1 2 283.331 1.045 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1Cc2ccccc21 ZINC001017871181 745819143 /nfs/dbraw/zinc/81/91/43/745819143.db2.gz OQDHJCATBLBWGO-HLLBOEOZSA-N 1 2 280.371 1.635 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1Cc2ccccc21 ZINC001017871181 745819145 /nfs/dbraw/zinc/81/91/45/745819145.db2.gz OQDHJCATBLBWGO-HLLBOEOZSA-N 1 2 280.371 1.635 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000821705133 745823187 /nfs/dbraw/zinc/82/31/87/745823187.db2.gz YAIVIVKCVBLAEZ-MELADBBJSA-N 1 2 266.385 1.568 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000821705133 745823188 /nfs/dbraw/zinc/82/31/88/745823188.db2.gz YAIVIVKCVBLAEZ-MELADBBJSA-N 1 2 266.385 1.568 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(c2cccc(F)c2)CC1 ZINC001032662445 745829553 /nfs/dbraw/zinc/82/95/53/745829553.db2.gz NLURNCLSJBENTR-HOTGVXAUSA-N 1 2 298.361 1.776 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(c2cccc(F)c2)CC1 ZINC001032662445 745829554 /nfs/dbraw/zinc/82/95/54/745829554.db2.gz NLURNCLSJBENTR-HOTGVXAUSA-N 1 2 298.361 1.776 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(C)c(C)n2)C1 ZINC001043356211 745833799 /nfs/dbraw/zinc/83/37/99/745833799.db2.gz YQFGIBWSMYWATA-UHFFFAOYSA-N 1 2 271.364 1.478 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccn3cc(C)nc3c2)C1 ZINC001043863381 745853527 /nfs/dbraw/zinc/85/35/27/745853527.db2.gz DQTXIZVVHOGDLY-UHFFFAOYSA-N 1 2 296.374 1.422 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCCC[C@@H]1CC ZINC000884144744 745873980 /nfs/dbraw/zinc/87/39/80/745873980.db2.gz SBGWJHSIGFOVTL-STQMWFEESA-N 1 2 282.384 1.614 20 30 CDEDLO C#C[C@H](CC)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000854068655 745897296 /nfs/dbraw/zinc/89/72/96/745897296.db2.gz DBUDBAJAPUBWSG-VXGBXAGGSA-N 1 2 260.341 1.711 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)cc1 ZINC000305746962 745898386 /nfs/dbraw/zinc/89/83/86/745898386.db2.gz RDVKMWRAQXOGSX-IOASZLSFSA-N 1 2 290.363 1.559 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)cc1 ZINC000305746962 745898387 /nfs/dbraw/zinc/89/83/87/745898387.db2.gz RDVKMWRAQXOGSX-IOASZLSFSA-N 1 2 290.363 1.559 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001054975358 745910410 /nfs/dbraw/zinc/91/04/10/745910410.db2.gz CTWAZUOASLLZBI-CMPLNLGQSA-N 1 2 292.383 1.527 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC001031331073 745915918 /nfs/dbraw/zinc/91/59/18/745915918.db2.gz WRPLMEPQBKQITF-UHFFFAOYSA-N 1 2 270.336 1.092 20 30 CDEDLO C#CCOCCC(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857999391 745928683 /nfs/dbraw/zinc/92/86/83/745928683.db2.gz BATUNYBIXFYSNM-UHFFFAOYSA-N 1 2 259.309 1.188 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](c3ncccn3)C2)CCC1 ZINC000886685955 745941437 /nfs/dbraw/zinc/94/14/37/745941437.db2.gz HLFXYJIBAHQLRI-CYBMUJFWSA-N 1 2 299.378 1.218 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H](c3ncccn3)C2)CCC1 ZINC000886685955 745941449 /nfs/dbraw/zinc/94/14/49/745941449.db2.gz HLFXYJIBAHQLRI-CYBMUJFWSA-N 1 2 299.378 1.218 20 30 CDEDLO C#CC[C@@H]1NC(=O)N(CCc2cn3cccc(C)c3[nH+]2)C1=O ZINC000842244793 745971505 /nfs/dbraw/zinc/97/15/05/745971505.db2.gz TZHIVNDRIVLFSV-ZDUSSCGKSA-N 1 2 296.330 1.129 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)ccc1OC ZINC001032507284 745981632 /nfs/dbraw/zinc/98/16/32/745981632.db2.gz VSENZVQJAPGQJR-GJZGRUSLSA-N 1 2 298.386 1.926 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)ccc1OC ZINC001032507284 745981645 /nfs/dbraw/zinc/98/16/45/745981645.db2.gz VSENZVQJAPGQJR-GJZGRUSLSA-N 1 2 298.386 1.926 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2c1CCOC2 ZINC001038495143 745991447 /nfs/dbraw/zinc/99/14/47/745991447.db2.gz FREBJYNOPQVJHR-CQSZACIVSA-N 1 2 284.359 1.197 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2c1CCOC2 ZINC001038495143 745991473 /nfs/dbraw/zinc/99/14/73/745991473.db2.gz FREBJYNOPQVJHR-CQSZACIVSA-N 1 2 284.359 1.197 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)n1c(C)ccc1C ZINC001032801354 746033319 /nfs/dbraw/zinc/03/33/19/746033319.db2.gz RRVGFPOBLUESFZ-ULQDDVLXSA-N 1 2 299.418 1.974 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)n1c(C)ccc1C ZINC001032801354 746033328 /nfs/dbraw/zinc/03/33/28/746033328.db2.gz RRVGFPOBLUESFZ-ULQDDVLXSA-N 1 2 299.418 1.974 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ncnc2sccc21 ZINC001038261233 746060920 /nfs/dbraw/zinc/06/09/20/746060920.db2.gz YNWBCGBPACLECF-JTQLQIEISA-N 1 2 286.360 1.129 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncnc2sccc21 ZINC001038261233 746060932 /nfs/dbraw/zinc/06/09/32/746060932.db2.gz YNWBCGBPACLECF-JTQLQIEISA-N 1 2 286.360 1.129 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 ZINC001031405747 746071415 /nfs/dbraw/zinc/07/14/15/746071415.db2.gz MARMXEZSHXMOMO-AWEZNQCLSA-N 1 2 293.411 1.010 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)[C@H]1CCCC[C@H]1C ZINC000884309640 746080683 /nfs/dbraw/zinc/08/06/83/746080683.db2.gz AJDYGOJXDZQSOS-RDBSUJKOSA-N 1 2 296.411 1.860 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c(C)coc2C)C1 ZINC001035352340 746082015 /nfs/dbraw/zinc/08/20/15/746082015.db2.gz PKHFXTXYLUAIQG-AWEZNQCLSA-N 1 2 292.379 1.903 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2c(C)coc2C)C1 ZINC001035352340 746082019 /nfs/dbraw/zinc/08/20/19/746082019.db2.gz PKHFXTXYLUAIQG-AWEZNQCLSA-N 1 2 292.379 1.903 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001035497634 746089412 /nfs/dbraw/zinc/08/94/12/746089412.db2.gz VSUMGCUUTQFFKG-QLFBSQMISA-N 1 2 280.412 1.816 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001035497634 746089422 /nfs/dbraw/zinc/08/94/22/746089422.db2.gz VSUMGCUUTQFFKG-QLFBSQMISA-N 1 2 280.412 1.816 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001038731341 746096286 /nfs/dbraw/zinc/09/62/86/746096286.db2.gz IOROXCPGGWTLQP-YNEHKIRRSA-N 1 2 258.321 1.207 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001038731341 746096294 /nfs/dbraw/zinc/09/62/94/746096294.db2.gz IOROXCPGGWTLQP-YNEHKIRRSA-N 1 2 258.321 1.207 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cncc3[nH]ccc32)C1 ZINC001030612832 746173781 /nfs/dbraw/zinc/17/37/81/746173781.db2.gz IWFCLCYOZYSNSO-UHFFFAOYSA-N 1 2 268.320 1.000 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000874703758 746176341 /nfs/dbraw/zinc/17/63/41/746176341.db2.gz CBLWKICCXCNPMF-OAHLLOKOSA-N 1 2 280.412 1.982 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000874703758 746176345 /nfs/dbraw/zinc/17/63/45/746176345.db2.gz CBLWKICCXCNPMF-OAHLLOKOSA-N 1 2 280.412 1.982 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2CC)C1 ZINC001035486599 746176727 /nfs/dbraw/zinc/17/67/27/746176727.db2.gz CHNBXYWDVLRWBV-HNNXBMFYSA-N 1 2 288.391 1.866 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2CC)C1 ZINC001035486599 746176734 /nfs/dbraw/zinc/17/67/34/746176734.db2.gz CHNBXYWDVLRWBV-HNNXBMFYSA-N 1 2 288.391 1.866 20 30 CDEDLO Cc1nnc(C[N@H+](C)C[C@@H](O)c2ccc(C#N)cc2)o1 ZINC000844362204 746204567 /nfs/dbraw/zinc/20/45/67/746204567.db2.gz UNBIVJLYXROBLZ-CYBMUJFWSA-N 1 2 272.308 1.415 20 30 CDEDLO Cc1nnc(C[N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)o1 ZINC000844362204 746204580 /nfs/dbraw/zinc/20/45/80/746204580.db2.gz UNBIVJLYXROBLZ-CYBMUJFWSA-N 1 2 272.308 1.415 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)CN2CCc3ccccc32)C1 ZINC001044311279 746216736 /nfs/dbraw/zinc/21/67/36/746216736.db2.gz NUEDUYXEYRUMOL-UHFFFAOYSA-N 1 2 285.391 1.378 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C(C)(C)CC)CCO2 ZINC001053400396 746247884 /nfs/dbraw/zinc/24/78/84/746247884.db2.gz CAVYRYVYMNOMRI-UHFFFAOYSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H](C)CCSC ZINC000884147618 746280065 /nfs/dbraw/zinc/28/00/65/746280065.db2.gz OHSGBNNAGPLMDC-MNOVXSKESA-N 1 2 288.413 1.033 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2csc(COC)n2)C1 ZINC001044161368 746320590 /nfs/dbraw/zinc/32/05/90/746320590.db2.gz NHCNKCQMERMYJP-UHFFFAOYSA-N 1 2 295.408 1.161 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2nccc3occc32)C1 ZINC001043424720 746320758 /nfs/dbraw/zinc/32/07/58/746320758.db2.gz VCWLHELKUYCMGW-UHFFFAOYSA-N 1 2 283.331 1.607 20 30 CDEDLO CC(C)=CC[NH+]1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001030197346 746332654 /nfs/dbraw/zinc/33/26/54/746332654.db2.gz YRUKBDQDKOMVBL-UHFFFAOYSA-N 1 2 258.325 1.267 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nn1CC ZINC001017984562 746367571 /nfs/dbraw/zinc/36/75/71/746367571.db2.gz NZNYTHXCWFGBRW-OKILXGFUSA-N 1 2 286.379 1.133 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nn1CC ZINC001017984562 746367577 /nfs/dbraw/zinc/36/75/77/746367577.db2.gz NZNYTHXCWFGBRW-OKILXGFUSA-N 1 2 286.379 1.133 20 30 CDEDLO Cc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C)C#N)o1 ZINC001032318840 746371524 /nfs/dbraw/zinc/37/15/24/746371524.db2.gz ZQYNVZOOZZRBRJ-XDTLVQLUSA-N 1 2 288.351 1.236 20 30 CDEDLO Cc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C)C#N)o1 ZINC001032318840 746371532 /nfs/dbraw/zinc/37/15/32/746371532.db2.gz ZQYNVZOOZZRBRJ-XDTLVQLUSA-N 1 2 288.351 1.236 20 30 CDEDLO C=C[C@H](C)ONC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000844285500 746410910 /nfs/dbraw/zinc/41/09/10/746410910.db2.gz VPZFOIRUWQPFQY-LBPRGKRZSA-N 1 2 290.367 1.987 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(C)noc2C)C1 ZINC001042464705 746553595 /nfs/dbraw/zinc/55/35/95/746553595.db2.gz FLPSLLLJNYBDJD-UHFFFAOYSA-N 1 2 261.325 1.071 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3n[nH]nc3C)[C@@H]2C1 ZINC001076117328 746679866 /nfs/dbraw/zinc/67/98/66/746679866.db2.gz IBDIYPQBRCXUBG-WDEREUQCSA-N 1 2 295.774 1.012 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3n[nH]nc3C)[C@@H]2C1 ZINC001076117328 746679878 /nfs/dbraw/zinc/67/98/78/746679878.db2.gz IBDIYPQBRCXUBG-WDEREUQCSA-N 1 2 295.774 1.012 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000884422476 746680724 /nfs/dbraw/zinc/68/07/24/746680724.db2.gz XRHIJAFLDLQSTF-IHRRRGAJSA-N 1 2 294.395 1.614 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1CC ZINC001017521760 746768334 /nfs/dbraw/zinc/76/83/34/746768334.db2.gz XRZCFGVXZWQRRM-BETUJISGSA-N 1 2 271.364 1.499 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1CC ZINC001017521760 746768348 /nfs/dbraw/zinc/76/83/48/746768348.db2.gz XRZCFGVXZWQRRM-BETUJISGSA-N 1 2 271.364 1.499 20 30 CDEDLO C[C@@H](C#N)C[NH2+]Cc1cc(Br)nn1C ZINC000393684451 746780697 /nfs/dbraw/zinc/78/06/97/746780697.db2.gz MLPGRUKZQWNJCH-ZETCQYMHSA-N 1 2 257.135 1.432 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1=CCCC1)CO2 ZINC001053773516 746813449 /nfs/dbraw/zinc/81/34/49/746813449.db2.gz JITMACLZXWRFBG-CQSZACIVSA-N 1 2 276.380 1.632 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1sc(COC)nc1C ZINC001038963022 746816453 /nfs/dbraw/zinc/81/64/53/746816453.db2.gz XDQKWQYYNMUXTE-NSHDSACASA-N 1 2 295.408 1.588 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1sc(COC)nc1C ZINC001038963022 746816454 /nfs/dbraw/zinc/81/64/54/746816454.db2.gz XDQKWQYYNMUXTE-NSHDSACASA-N 1 2 295.408 1.588 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccoc1)O2 ZINC001053570406 746820399 /nfs/dbraw/zinc/82/03/99/746820399.db2.gz SPCYZIFWFWJHAJ-AWEZNQCLSA-N 1 2 290.363 1.819 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2CCCOC2)C1 ZINC001031400124 746824416 /nfs/dbraw/zinc/82/44/16/746824416.db2.gz SMLKUDIVQQQGSV-LBPRGKRZSA-N 1 2 252.358 1.180 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc(C)s2)C1 ZINC001031435449 746836497 /nfs/dbraw/zinc/83/64/97/746836497.db2.gz APYMXDRCHOZMPZ-UHFFFAOYSA-N 1 2 262.378 1.423 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000884142749 746842733 /nfs/dbraw/zinc/84/27/33/746842733.db2.gz KCUMIHOUADJHBC-WZRBSPASSA-N 1 2 282.384 1.374 20 30 CDEDLO C#CCOCCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000159635060 746857984 /nfs/dbraw/zinc/85/79/84/746857984.db2.gz LSOLXRDGDCWROA-UHFFFAOYSA-N 1 2 292.404 1.432 20 30 CDEDLO C#Cc1ccc(C[NH+]2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000809541926 746862963 /nfs/dbraw/zinc/86/29/63/746862963.db2.gz QNOOYYVWADDWIO-SFHVURJKSA-N 1 2 284.403 1.965 20 30 CDEDLO N#CCN[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000999500435 746865737 /nfs/dbraw/zinc/86/57/37/746865737.db2.gz BEJPITSSKIHWHJ-GFCCVEGCSA-N 1 2 283.335 1.281 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)oc(C)c1C ZINC001038486223 746872393 /nfs/dbraw/zinc/87/23/93/746872393.db2.gz SQSFUVOKEZMXAJ-CYBMUJFWSA-N 1 2 260.337 1.642 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)oc(C)c1C ZINC001038486223 746872394 /nfs/dbraw/zinc/87/23/94/746872394.db2.gz SQSFUVOKEZMXAJ-CYBMUJFWSA-N 1 2 260.337 1.642 20 30 CDEDLO C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C2=NC(=O)N(C)C2)C1 ZINC001000083015 746878525 /nfs/dbraw/zinc/87/85/25/746878525.db2.gz KEKRVZSMJABXJX-SNVBAGLBSA-N 1 2 298.774 1.072 20 30 CDEDLO C=C(C)C[N@@H+](C)Cn1cc(C(=O)OCC)c(C)n1 ZINC000182631329 746949159 /nfs/dbraw/zinc/94/91/59/746949159.db2.gz YXEQLUFZYBLNCH-UHFFFAOYSA-N 1 2 251.330 1.834 20 30 CDEDLO C=C(C)C[N@H+](C)Cn1cc(C(=O)OCC)c(C)n1 ZINC000182631329 746949178 /nfs/dbraw/zinc/94/91/78/746949178.db2.gz YXEQLUFZYBLNCH-UHFFFAOYSA-N 1 2 251.330 1.834 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCN(C)c3ccccc32)C1 ZINC001042964499 746966270 /nfs/dbraw/zinc/96/62/70/746966270.db2.gz IOFMFWZJGMOHBI-INIZCTEOSA-N 1 2 299.418 1.939 20 30 CDEDLO COc1c(C)c[nH+]c(CNC(=O)NCCC#N)c1C ZINC000787363377 746997716 /nfs/dbraw/zinc/99/77/16/746997716.db2.gz GHGYSKFURDZVPP-UHFFFAOYSA-N 1 2 262.313 1.420 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@H](OC)C2)C1 ZINC001043692567 747042059 /nfs/dbraw/zinc/04/20/59/747042059.db2.gz OENQRGOOLIFROZ-ZFWWWQNUSA-N 1 2 280.412 1.910 20 30 CDEDLO N#Cc1ccccc1/C=C\C(=O)NCCn1cc[nH+]c1 ZINC000255387092 747091609 /nfs/dbraw/zinc/09/16/09/747091609.db2.gz DZZGLMZYVKKPRK-WAYWQWQTSA-N 1 2 266.304 1.584 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCO[C@H]2C(C)C)C1 ZINC001042880807 747174268 /nfs/dbraw/zinc/17/42/68/747174268.db2.gz HDSOCDFVLAQXNE-CABCVRRESA-N 1 2 280.412 1.766 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cnc(Cl)s2)nn1 ZINC000881282702 747428188 /nfs/dbraw/zinc/42/81/88/747428188.db2.gz QQVHBMFOWXUWJO-UHFFFAOYSA-N 1 2 281.772 1.549 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC001030636724 747482796 /nfs/dbraw/zinc/48/27/96/747482796.db2.gz OKFRVLAXUCKKAY-HNNXBMFYSA-N 1 2 272.348 1.367 20 30 CDEDLO CCn1cnc2c1CC[N@H+](C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000933260016 747542191 /nfs/dbraw/zinc/54/21/91/747542191.db2.gz HIMCASQIRAHJCA-KRWDZBQOSA-N 1 2 296.374 1.866 20 30 CDEDLO CCn1cnc2c1CC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000933260016 747542208 /nfs/dbraw/zinc/54/22/08/747542208.db2.gz HIMCASQIRAHJCA-KRWDZBQOSA-N 1 2 296.374 1.866 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](N(C)C(C)=O)C2)c1 ZINC001032853166 747571096 /nfs/dbraw/zinc/57/10/96/747571096.db2.gz REPJRARRIYOELM-MRXNPFEDSA-N 1 2 299.374 1.159 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](N(C)C(C)=O)C2)c1 ZINC001032853166 747571107 /nfs/dbraw/zinc/57/11/07/747571107.db2.gz REPJRARRIYOELM-MRXNPFEDSA-N 1 2 299.374 1.159 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1csc(COC)n1 ZINC001039069472 747571317 /nfs/dbraw/zinc/57/13/17/747571317.db2.gz CUTBCHYYRGOCHP-SNVBAGLBSA-N 1 2 281.381 1.280 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1csc(COC)n1 ZINC001039069472 747571358 /nfs/dbraw/zinc/57/13/58/747571358.db2.gz CUTBCHYYRGOCHP-SNVBAGLBSA-N 1 2 281.381 1.280 20 30 CDEDLO Cc1ccccc1NC(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000137653274 747688342 /nfs/dbraw/zinc/68/83/42/747688342.db2.gz KXCVAZMXPWUSCT-UHFFFAOYSA-N 1 2 298.346 1.860 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cnns2)CC[C@H]1C ZINC001071371955 747694078 /nfs/dbraw/zinc/69/40/78/747694078.db2.gz WGYLRWNFTOWXKG-ZJUUUORDSA-N 1 2 266.370 1.307 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnns2)CC[C@H]1C ZINC001071371955 747694101 /nfs/dbraw/zinc/69/41/01/747694101.db2.gz WGYLRWNFTOWXKG-ZJUUUORDSA-N 1 2 266.370 1.307 20 30 CDEDLO Cc1cc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)no1 ZINC000971218675 747808464 /nfs/dbraw/zinc/80/84/64/747808464.db2.gz QFCAWRWJVJOYON-GWCFXTLKSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1cc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)no1 ZINC000971218675 747808466 /nfs/dbraw/zinc/80/84/66/747808466.db2.gz QFCAWRWJVJOYON-GWCFXTLKSA-N 1 2 276.340 1.175 20 30 CDEDLO C[C@H](C#N)OCC[N@@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879766560 747828924 /nfs/dbraw/zinc/82/89/24/747828924.db2.gz OILMUTFOXZUHEQ-MWLCHTKSSA-N 1 2 293.289 1.058 20 30 CDEDLO C[C@H](C#N)OCC[N@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879766560 747828925 /nfs/dbraw/zinc/82/89/25/747828925.db2.gz OILMUTFOXZUHEQ-MWLCHTKSSA-N 1 2 293.289 1.058 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccnn2C)CC[C@H]1C ZINC001071384019 747831486 /nfs/dbraw/zinc/83/14/86/747831486.db2.gz QKNHSMMKGBJYKZ-VXGBXAGGSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccnn2C)CC[C@H]1C ZINC001071384019 747831488 /nfs/dbraw/zinc/83/14/88/747831488.db2.gz QKNHSMMKGBJYKZ-VXGBXAGGSA-N 1 2 296.802 1.755 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3oc(C)nc3c2)C1 ZINC001030500678 747832680 /nfs/dbraw/zinc/83/26/80/747832680.db2.gz RFNWVABWTQQCPZ-UHFFFAOYSA-N 1 2 283.331 1.574 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCCO[C@H]2C)C1 ZINC001031637974 747836500 /nfs/dbraw/zinc/83/65/00/747836500.db2.gz QLZIOCJPXKUUOB-WCQYABFASA-N 1 2 286.803 1.602 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(C)(CC)CC1 ZINC000884117781 747842018 /nfs/dbraw/zinc/84/20/18/747842018.db2.gz LYVMLWBKBCINBU-LBPRGKRZSA-N 1 2 282.384 1.472 20 30 CDEDLO CC(C)(C(=O)N1C[C@@H](NCC#N)C(C)(C)C1)c1c[nH+]c[nH]1 ZINC000996522253 747844330 /nfs/dbraw/zinc/84/43/30/747844330.db2.gz YNUPYOHOVPSOIE-GFCCVEGCSA-N 1 2 289.383 1.037 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(F)F)nc1 ZINC001038323548 747846195 /nfs/dbraw/zinc/84/61/95/747846195.db2.gz RFFBHWRQYIUGIU-LLVKDONJSA-N 1 2 279.290 1.457 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(F)F)nc1 ZINC001038323548 747846197 /nfs/dbraw/zinc/84/61/97/747846197.db2.gz RFFBHWRQYIUGIU-LLVKDONJSA-N 1 2 279.290 1.457 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2cccnc21 ZINC001032581185 747849220 /nfs/dbraw/zinc/84/92/20/747849220.db2.gz LGBOADYNRKPXGB-JYJNAYRXSA-N 1 2 295.386 1.420 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2cccnc21 ZINC001032581185 747849221 /nfs/dbraw/zinc/84/92/21/747849221.db2.gz LGBOADYNRKPXGB-JYJNAYRXSA-N 1 2 295.386 1.420 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1C/C=C\Cl ZINC001038799997 747855795 /nfs/dbraw/zinc/85/57/95/747855795.db2.gz YWUVHESBTNPICW-GTNIHLNRSA-N 1 2 298.814 1.911 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1C/C=C\Cl ZINC001038799997 747855796 /nfs/dbraw/zinc/85/57/96/747855796.db2.gz YWUVHESBTNPICW-GTNIHLNRSA-N 1 2 298.814 1.911 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2nccs2)C1 ZINC001027335977 747877196 /nfs/dbraw/zinc/87/71/96/747877196.db2.gz MDCBWNZTJNJHSS-NEPJUHHUSA-N 1 2 292.408 1.726 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2nccs2)C1 ZINC001027335977 747877199 /nfs/dbraw/zinc/87/71/99/747877199.db2.gz MDCBWNZTJNJHSS-NEPJUHHUSA-N 1 2 292.408 1.726 20 30 CDEDLO C#C[C@H](NC(=O)N[C@@H](CC)C[NH+]1CCOCC1)C(C)C ZINC000922520079 747882513 /nfs/dbraw/zinc/88/25/13/747882513.db2.gz KCSZVBUEFWBCOB-KBPBESRZSA-N 1 2 281.400 1.054 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1ccc(C)cc1 ZINC001032767871 747882827 /nfs/dbraw/zinc/88/28/27/747882827.db2.gz RNFPGFGHIJGMMS-HOTGVXAUSA-N 1 2 298.386 1.682 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1ccc(C)cc1 ZINC001032767871 747882832 /nfs/dbraw/zinc/88/28/32/747882832.db2.gz RNFPGFGHIJGMMS-HOTGVXAUSA-N 1 2 298.386 1.682 20 30 CDEDLO CC(C)(C)OC(=O)CCNN=Cc1cccc2[nH+]ccn21 ZINC000783862830 747887211 /nfs/dbraw/zinc/88/72/11/747887211.db2.gz IXUFZDZAMDTMCZ-UHFFFAOYSA-N 1 2 288.351 1.990 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3ccccc3n2)C1 ZINC001031297508 747964728 /nfs/dbraw/zinc/96/47/28/747964728.db2.gz 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/nfs/dbraw/zinc/07/18/60/748071860.db2.gz KDYJOYIHRRFPSN-STQMWFEESA-N 1 2 260.341 1.326 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2[nH]nc(C)c2C)[C@H]1C ZINC000993143575 748080482 /nfs/dbraw/zinc/08/04/82/748080482.db2.gz UODVYGSAMDQLJQ-KGLIPLIRSA-N 1 2 288.395 1.633 20 30 CDEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2[nH]nc(C)c2C)[C@H]1C ZINC000993143575 748080489 /nfs/dbraw/zinc/08/04/89/748080489.db2.gz UODVYGSAMDQLJQ-KGLIPLIRSA-N 1 2 288.395 1.633 20 30 CDEDLO C#CC[N@@H+](CC)Cc1nc2cc(C(=O)OC)ccc2[nH]1 ZINC000851799772 748100197 /nfs/dbraw/zinc/10/01/97/748100197.db2.gz RCXSWKPIQZDIOD-UHFFFAOYSA-N 1 2 271.320 1.805 20 30 CDEDLO C#CC[N@H+](CC)Cc1nc2cc(C(=O)OC)ccc2[nH]1 ZINC000851799772 748100220 /nfs/dbraw/zinc/10/02/20/748100220.db2.gz RCXSWKPIQZDIOD-UHFFFAOYSA-N 1 2 271.320 1.805 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CC(=O)N(C)C1 ZINC000853361471 748105298 /nfs/dbraw/zinc/10/52/98/748105298.db2.gz PMNCKTZDHLOKNM-LBPRGKRZSA-N 1 2 273.336 1.516 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cscc1C 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CC[C@@H](C)[C@@H](C(=O)OC)[NH+]1CCN(CCC#N)CC1 ZINC000930116696 748439418 /nfs/dbraw/zinc/43/94/18/748439418.db2.gz OMRKPNBSVFHBQX-OLZOCXBDSA-N 1 2 267.373 1.105 20 30 CDEDLO CCn1cnc2c1CC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000933260025 748455001 /nfs/dbraw/zinc/45/50/01/748455001.db2.gz HIMCASQIRAHJCA-QGZVFWFLSA-N 1 2 296.374 1.866 20 30 CDEDLO CCn1cnc2c1CC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000933260025 748455005 /nfs/dbraw/zinc/45/50/05/748455005.db2.gz HIMCASQIRAHJCA-QGZVFWFLSA-N 1 2 296.374 1.866 20 30 CDEDLO Cc1nc(N(C)C[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001062096535 748548727 /nfs/dbraw/zinc/54/87/27/748548727.db2.gz OOPCOEPZPTXTHN-WCQYABFASA-N 1 2 287.367 1.229 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1CCC ZINC001038445473 748618536 /nfs/dbraw/zinc/61/85/36/748618536.db2.gz SYHOXHZYDNZQHZ-LBPRGKRZSA-N 1 2 274.368 1.190 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1CCC ZINC001038445473 748618539 /nfs/dbraw/zinc/61/85/39/748618539.db2.gz SYHOXHZYDNZQHZ-LBPRGKRZSA-N 1 2 274.368 1.190 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C1CC(OC)C1 ZINC001027955986 748621518 /nfs/dbraw/zinc/62/15/18/748621518.db2.gz NOLRAEVVZYNETN-CPCZMJQVSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C1CC(OC)C1 ZINC001027955986 748621523 /nfs/dbraw/zinc/62/15/23/748621523.db2.gz NOLRAEVVZYNETN-CPCZMJQVSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2coc(C)c2)C1 ZINC001035347468 748632973 /nfs/dbraw/zinc/63/29/73/748632973.db2.gz UCQKGFYHNPVAIA-AWEZNQCLSA-N 1 2 278.352 1.595 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2coc(C)c2)C1 ZINC001035347468 748632981 /nfs/dbraw/zinc/63/29/81/748632981.db2.gz UCQKGFYHNPVAIA-AWEZNQCLSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cccn2CC)C1 ZINC001035613898 748654251 /nfs/dbraw/zinc/65/42/51/748654251.db2.gz MFGOBCHHPDYTMN-CYBMUJFWSA-N 1 2 277.368 1.125 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cccn2CC)C1 ZINC001035613898 748654253 /nfs/dbraw/zinc/65/42/53/748654253.db2.gz MFGOBCHHPDYTMN-CYBMUJFWSA-N 1 2 277.368 1.125 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C23CCC(CC2)C3)C1 ZINC001035414412 748655662 /nfs/dbraw/zinc/65/56/62/748655662.db2.gz PQOCBNQBSYDXGL-ISXOHVOVSA-N 1 2 292.423 1.960 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C23CCC(CC2)C3)C1 ZINC001035414412 748655675 /nfs/dbraw/zinc/65/56/75/748655675.db2.gz PQOCBNQBSYDXGL-ISXOHVOVSA-N 1 2 292.423 1.960 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(F)cc2ccncc21 ZINC001038256632 748674802 /nfs/dbraw/zinc/67/48/02/748674802.db2.gz GYOJXTNMVSCYGA-AWEZNQCLSA-N 1 2 297.333 1.811 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)cc2ccncc21 ZINC001038256632 748674816 /nfs/dbraw/zinc/67/48/16/748674816.db2.gz GYOJXTNMVSCYGA-AWEZNQCLSA-N 1 2 297.333 1.811 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)/C(C)=C\C)CCO2 ZINC001053208289 748677881 /nfs/dbraw/zinc/67/78/81/748677881.db2.gz JBHKVZQSKGIXAA-ACAGNQJTSA-N 1 2 264.369 1.442 20 30 CDEDLO N#Cc1c2c(cn(C[NH+](C3CC3)C3CC3)c1=O)CCC2 ZINC000863302256 748790624 /nfs/dbraw/zinc/79/06/24/748790624.db2.gz AIJOYYUHQSRACL-UHFFFAOYSA-N 1 2 269.348 1.793 20 30 CDEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccon3)C[C@H]21 ZINC001074184366 748801110 /nfs/dbraw/zinc/80/11/10/748801110.db2.gz LIODXLJORFKSGU-KGLIPLIRSA-N 1 2 291.351 1.166 20 30 CDEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccon3)C[C@H]21 ZINC001074184366 748801112 /nfs/dbraw/zinc/80/11/12/748801112.db2.gz LIODXLJORFKSGU-KGLIPLIRSA-N 1 2 291.351 1.166 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnccc1C ZINC001017627930 748811046 /nfs/dbraw/zinc/81/10/46/748811046.db2.gz CLUPGNSSMBFXQF-IYBDPMFKSA-N 1 2 283.375 1.241 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnccc1C ZINC001017627930 748811047 /nfs/dbraw/zinc/81/10/47/748811047.db2.gz CLUPGNSSMBFXQF-IYBDPMFKSA-N 1 2 283.375 1.241 20 30 CDEDLO Cc1ccc(C(=O)OCCn2cc[nH+]c2)cc1C#N ZINC000799550176 748871731 /nfs/dbraw/zinc/87/17/31/748871731.db2.gz KYTGOHRNOKCCNB-UHFFFAOYSA-N 1 2 255.277 1.920 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001017981202 748878702 /nfs/dbraw/zinc/87/87/02/748878702.db2.gz OKJIATLWIHIZGQ-LXTVHRRPSA-N 1 2 284.359 1.692 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001017981202 748878708 /nfs/dbraw/zinc/87/87/08/748878708.db2.gz OKJIATLWIHIZGQ-LXTVHRRPSA-N 1 2 284.359 1.692 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000877901963 748942314 /nfs/dbraw/zinc/94/23/14/748942314.db2.gz ZSLRZJVZRUGQRM-UHFFFAOYSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cccc2c1CCN2 ZINC000884039107 748969645 /nfs/dbraw/zinc/96/96/45/748969645.db2.gz DUSPLFPDGXYPLK-NSHDSACASA-N 1 2 289.335 1.040 20 30 CDEDLO C=C(Br)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000844132767 749046418 /nfs/dbraw/zinc/04/64/18/749046418.db2.gz KGYKCQXMCQUPDL-VIFPVBQESA-N 1 2 284.157 1.470 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001035518415 749082823 /nfs/dbraw/zinc/08/28/23/749082823.db2.gz FUYJIYQKTYWMOY-BFHYXJOUSA-N 1 2 290.363 1.386 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001035518415 749082826 /nfs/dbraw/zinc/08/28/26/749082826.db2.gz FUYJIYQKTYWMOY-BFHYXJOUSA-N 1 2 290.363 1.386 20 30 CDEDLO N#Cc1cccc(OCC(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000779096033 749119165 /nfs/dbraw/zinc/11/91/65/749119165.db2.gz NZJLYPKEKVSTBA-ZDUSSCGKSA-N 1 2 296.330 1.265 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)cc1C ZINC001038981757 749241193 /nfs/dbraw/zinc/24/11/93/749241193.db2.gz HZHBMDJZCCQWSO-CQSZACIVSA-N 1 2 256.349 1.741 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)cc1C ZINC001038981757 749241202 /nfs/dbraw/zinc/24/12/02/749241202.db2.gz HZHBMDJZCCQWSO-CQSZACIVSA-N 1 2 256.349 1.741 20 30 CDEDLO C#CCCCNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000172779992 749285332 /nfs/dbraw/zinc/28/53/32/749285332.db2.gz ZMSRLZZVYBGZMI-ZDUSSCGKSA-N 1 2 274.368 1.511 20 30 CDEDLO C#CCCCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000172779992 749285336 /nfs/dbraw/zinc/28/53/36/749285336.db2.gz ZMSRLZZVYBGZMI-ZDUSSCGKSA-N 1 2 274.368 1.511 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)ccc1OC ZINC001032550159 749301180 /nfs/dbraw/zinc/30/11/80/749301180.db2.gz FLVALEKFCRMLCH-STQMWFEESA-N 1 2 288.322 1.366 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)ccc1OC ZINC001032550159 749301186 /nfs/dbraw/zinc/30/11/86/749301186.db2.gz FLVALEKFCRMLCH-STQMWFEESA-N 1 2 288.322 1.366 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001051162253 749304734 /nfs/dbraw/zinc/30/47/34/749304734.db2.gz RKQLXGAJGHOBCA-OWCLPIDISA-N 1 2 292.423 1.816 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001051162253 749304739 /nfs/dbraw/zinc/30/47/39/749304739.db2.gz RKQLXGAJGHOBCA-OWCLPIDISA-N 1 2 292.423 1.816 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1snnc1C1CC1 ZINC001027946174 749327436 /nfs/dbraw/zinc/32/74/36/749327436.db2.gz ARNRVGDLKAGJKO-LLVKDONJSA-N 1 2 290.392 1.243 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1snnc1C1CC1 ZINC001027946174 749327440 /nfs/dbraw/zinc/32/74/40/749327440.db2.gz ARNRVGDLKAGJKO-LLVKDONJSA-N 1 2 290.392 1.243 20 30 CDEDLO NC(Cc1cccnc1)=[NH+]OCCOCC(F)F ZINC000189321340 749351864 /nfs/dbraw/zinc/35/18/64/749351864.db2.gz GSOUKKJNBMXCRW-UHFFFAOYSA-N 1 2 259.256 1.195 20 30 CDEDLO CS(=O)(=O)C1C[NH+](C2CCC(CC#N)CC2)C1 ZINC001173338185 912434584 /nfs/dbraw/zinc/43/45/84/912434584.db2.gz BEEBJLVRZRNFCA-UHFFFAOYSA-N 1 2 256.371 1.188 20 30 CDEDLO CCOC(=O)C[C@H]1CC[C@H]([NH2+][C@@H](CS)C(=O)OC)C1 ZINC001173619394 912652108 /nfs/dbraw/zinc/65/21/08/912652108.db2.gz ARGWPESNOOUSTE-DCAQKATOSA-N 1 2 289.397 1.169 20 30 CDEDLO C#Cc1cccnc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001174489334 913164570 /nfs/dbraw/zinc/16/45/70/913164570.db2.gz IKMSFMWUXRFACA-UHFFFAOYSA-N 1 2 297.362 1.335 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C=C)cc3)[C@H]2C1 ZINC001083202457 895219463 /nfs/dbraw/zinc/21/94/63/895219463.db2.gz SZFJECKTAYDMQM-DLBZAZTESA-N 1 2 296.370 1.488 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C=C)cc3)[C@H]2C1 ZINC001083202457 895219479 /nfs/dbraw/zinc/21/94/79/895219479.db2.gz SZFJECKTAYDMQM-DLBZAZTESA-N 1 2 296.370 1.488 20 30 CDEDLO N#Cc1ccc(Nc2ccc(N3CC[C@H](O)C3)[nH+]c2)c(N)c1 ZINC001213353872 896203945 /nfs/dbraw/zinc/20/39/45/896203945.db2.gz NOKFCBCGUSTPQH-ZDUSSCGKSA-N 1 2 295.346 1.850 20 30 CDEDLO N#Cc1ccc2c(c1)CCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001176829690 914282903 /nfs/dbraw/zinc/28/29/03/914282903.db2.gz XNHIVMGHVRDBOG-UHFFFAOYSA-N 1 2 266.304 1.409 20 30 CDEDLO CNC(=O)c1cc(C#N)cc(C)c1NC(=O)Cc1c[nH]c[nH+]1 ZINC001176833507 914291360 /nfs/dbraw/zinc/29/13/60/914291360.db2.gz NMBWWZWJMNNQPM-UHFFFAOYSA-N 1 2 297.318 1.131 20 30 CDEDLO C#CCOCCC(=O)N(C)[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001104677845 898877877 /nfs/dbraw/zinc/87/78/77/898877877.db2.gz NUGHNJOUMFSTKS-LBPRGKRZSA-N 1 2 290.367 1.084 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)COCCC)C[C@H]21 ZINC001176936293 914369393 /nfs/dbraw/zinc/36/93/93/914369393.db2.gz GTXBLKWPVXSCQP-CABCVRRESA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)COCCC)C[C@H]21 ZINC001176936293 914369411 /nfs/dbraw/zinc/36/94/11/914369411.db2.gz GTXBLKWPVXSCQP-CABCVRRESA-N 1 2 296.411 1.291 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2(c3ccncc3)CC2)CC1 ZINC001177606609 914792869 /nfs/dbraw/zinc/79/28/69/914792869.db2.gz FTDRMNACFASXQM-UHFFFAOYSA-N 1 2 271.364 1.443 20 30 CDEDLO CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001089980315 921214269 /nfs/dbraw/zinc/21/42/69/921214269.db2.gz LJLMSCLHOOPNJU-GJZGRUSLSA-N 1 2 287.363 1.020 20 30 CDEDLO CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001089980315 921214276 /nfs/dbraw/zinc/21/42/76/921214276.db2.gz LJLMSCLHOOPNJU-GJZGRUSLSA-N 1 2 287.363 1.020 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC2CC2)[C@@H](O)C1 ZINC001090007956 921318413 /nfs/dbraw/zinc/31/84/13/921318413.db2.gz AKDLCIIKKBDCEE-NEPJUHHUSA-N 1 2 272.776 1.090 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC2CC2)[C@@H](O)C1 ZINC001090007956 921318416 /nfs/dbraw/zinc/31/84/16/921318416.db2.gz AKDLCIIKKBDCEE-NEPJUHHUSA-N 1 2 272.776 1.090 20 30 CDEDLO N#Cc1ccnc(NS(=O)(=O)c2ccc(C[NH3+])cc2)c1 ZINC001161746883 921481092 /nfs/dbraw/zinc/48/10/92/921481092.db2.gz OMGNSUKFWNAXJH-UHFFFAOYSA-N 1 2 288.332 1.213 20 30 CDEDLO C=CCCCC(=O)N[C@@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001077184650 910211502 /nfs/dbraw/zinc/21/15/02/910211502.db2.gz POMZNQJORKSHDH-ZDUSSCGKSA-N 1 2 292.383 1.250 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001094051352 910293045 /nfs/dbraw/zinc/29/30/45/910293045.db2.gz UDPVELSPZHVALW-LLVKDONJSA-N 1 2 262.357 1.915 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2c[nH]cn2)C1=O ZINC001273024148 921617595 /nfs/dbraw/zinc/61/75/95/921617595.db2.gz NGRRSOVXNQODSZ-CQSZACIVSA-N 1 2 260.341 1.163 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2c[nH]cn2)C1=O ZINC001273024148 921617605 /nfs/dbraw/zinc/61/76/05/921617605.db2.gz NGRRSOVXNQODSZ-CQSZACIVSA-N 1 2 260.341 1.163 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cn(C)nc2-c2ccco2)C1 ZINC001030298465 911663937 /nfs/dbraw/zinc/66/39/37/911663937.db2.gz VNTUUKGNRRFUKA-UHFFFAOYSA-N 1 2 298.346 1.117 20 30 CDEDLO C=C[C@H]1C[C@@]1([NH2+]C1CCN(C(=O)OC)CC1)C(=O)OCC ZINC001172733677 911870848 /nfs/dbraw/zinc/87/08/48/911870848.db2.gz ZGVAELRFHDRSIW-NHYWBVRUSA-N 1 2 296.367 1.315 20 30 CDEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@H](C(=O)OC)CC1)C(=O)OC ZINC001172798985 912018211 /nfs/dbraw/zinc/01/82/11/912018211.db2.gz OFINNGDWMUQSFP-AVGNSLFASA-N 1 2 281.352 1.263 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ccon2)C1 ZINC001189911221 921714535 /nfs/dbraw/zinc/71/45/35/921714535.db2.gz YTBLHUCNUHQZEH-AWEZNQCLSA-N 1 2 275.352 1.511 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccon2)C1 ZINC001189911221 921714543 /nfs/dbraw/zinc/71/45/43/921714543.db2.gz YTBLHUCNUHQZEH-AWEZNQCLSA-N 1 2 275.352 1.511 20 30 CDEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1nccn1C ZINC001272678412 915080685 /nfs/dbraw/zinc/08/06/85/915080685.db2.gz MDEDHRGQKUSFAO-MRXNPFEDSA-N 1 2 288.395 1.563 20 30 CDEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1nccn1C ZINC001272678412 915080706 /nfs/dbraw/zinc/08/07/06/915080706.db2.gz MDEDHRGQKUSFAO-MRXNPFEDSA-N 1 2 288.395 1.563 20 30 CDEDLO CC#CC(=O)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001179752343 915971936 /nfs/dbraw/zinc/97/19/36/915971936.db2.gz VVUFHZHCLCJPKK-OAHLLOKOSA-N 1 2 254.333 1.451 20 30 CDEDLO CC#CC(=O)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001179752343 915971950 /nfs/dbraw/zinc/97/19/50/915971950.db2.gz VVUFHZHCLCJPKK-OAHLLOKOSA-N 1 2 254.333 1.451 20 30 CDEDLO C=CCOCCCC(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001125247587 936359145 /nfs/dbraw/zinc/35/91/45/936359145.db2.gz DPAXWOKMDBAGEE-UHFFFAOYSA-N 1 2 281.356 1.172 20 30 CDEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC001180756221 916608134 /nfs/dbraw/zinc/60/81/34/916608134.db2.gz XLDHEDFLOSVUDN-LLVKDONJSA-N 1 2 291.376 1.378 20 30 CDEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC001180756221 916608142 /nfs/dbraw/zinc/60/81/42/916608142.db2.gz XLDHEDFLOSVUDN-LLVKDONJSA-N 1 2 291.376 1.378 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c(C#N)c1 ZINC001137697920 936390873 /nfs/dbraw/zinc/39/08/73/936390873.db2.gz BIAJQKJBOBVJNU-UONOGXRCSA-N 1 2 264.300 1.472 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@H](F)[C@H](O)C2)c(C#N)c1 ZINC001137697920 936390878 /nfs/dbraw/zinc/39/08/78/936390878.db2.gz BIAJQKJBOBVJNU-UONOGXRCSA-N 1 2 264.300 1.472 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2coc(C)n2)C1=O ZINC001272727149 917721944 /nfs/dbraw/zinc/72/19/44/917721944.db2.gz XPHHGJCOQKEMNH-OAHLLOKOSA-N 1 2 275.352 1.736 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2coc(C)n2)C1=O ZINC001272727149 917721956 /nfs/dbraw/zinc/72/19/56/917721956.db2.gz XPHHGJCOQKEMNH-OAHLLOKOSA-N 1 2 275.352 1.736 20 30 CDEDLO C[C@H](C#N)C(=O)NCC[NH2+][C@@H](C)c1ncc(C(C)(C)C)o1 ZINC001124901840 917750798 /nfs/dbraw/zinc/75/07/98/917750798.db2.gz DGPWUKROHVUEPX-MNOVXSKESA-N 1 2 292.383 1.899 20 30 CDEDLO CC(C)c1cnc(C[NH2+]CCNC(=O)[C@H](C)C#N)o1 ZINC001124904157 917754453 /nfs/dbraw/zinc/75/44/53/917754453.db2.gz XMELKTXFUNGUCM-SNVBAGLBSA-N 1 2 264.329 1.163 20 30 CDEDLO C[NH+]1CC(NC(=O)Cc2c[nH]c3cccc(C#N)c23)C1 ZINC001182583095 917977427 /nfs/dbraw/zinc/97/74/27/917977427.db2.gz LZHHIUJXOVZWGJ-UHFFFAOYSA-N 1 2 268.320 1.012 20 30 CDEDLO C[C@@H](C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1)c1ccc(C#N)cc1 ZINC001182801402 918136043 /nfs/dbraw/zinc/13/60/43/918136043.db2.gz ZNDCJQLYLGFYQU-IAQYHMDHSA-N 1 2 298.346 1.105 20 30 CDEDLO C[C@@H](C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1)c1ccc(C#N)cc1 ZINC001182801402 918136053 /nfs/dbraw/zinc/13/60/53/918136053.db2.gz ZNDCJQLYLGFYQU-IAQYHMDHSA-N 1 2 298.346 1.105 20 30 CDEDLO N#Cc1ccc(NC/C=C/CNC(=O)Cc2c[nH]c[nH+]2)nc1 ZINC001107539576 918437304 /nfs/dbraw/zinc/43/73/04/918437304.db2.gz PEYKMYZEYGLBJU-OWOJBTEDSA-N 1 2 296.334 1.003 20 30 CDEDLO CC[C@H](CC#N)[NH2+][C@H](CC(=O)OC)c1cccnc1 ZINC001255155831 936505835 /nfs/dbraw/zinc/50/58/35/936505835.db2.gz BJIPZIVCKVHESI-CHWSQXEVSA-N 1 2 261.325 1.968 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2ccsc2)C1 ZINC001107713550 918666701 /nfs/dbraw/zinc/66/67/01/918666701.db2.gz RSWPUEADQJGBNG-HNNXBMFYSA-N 1 2 294.420 1.684 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2ccsc2)C1 ZINC001107713550 918666709 /nfs/dbraw/zinc/66/67/09/918666709.db2.gz RSWPUEADQJGBNG-HNNXBMFYSA-N 1 2 294.420 1.684 20 30 CDEDLO N#C[C@H]1COCCN1C(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183748681 918681578 /nfs/dbraw/zinc/68/15/78/918681578.db2.gz KAZGGMXYQDDTLN-GJZGRUSLSA-N 1 2 285.347 1.012 20 30 CDEDLO N#C[C@H]1COCCN1C(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001183748681 918681583 /nfs/dbraw/zinc/68/15/83/918681583.db2.gz KAZGGMXYQDDTLN-GJZGRUSLSA-N 1 2 285.347 1.012 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccsc2)C1 ZINC001107727637 918695492 /nfs/dbraw/zinc/69/54/92/918695492.db2.gz CXXDFVOMNXCURC-OAHLLOKOSA-N 1 2 292.404 1.592 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccsc2)C1 ZINC001107727637 918695511 /nfs/dbraw/zinc/69/55/11/918695511.db2.gz CXXDFVOMNXCURC-OAHLLOKOSA-N 1 2 292.404 1.592 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCc2ccco2)C1 ZINC001107732784 918702874 /nfs/dbraw/zinc/70/28/74/918702874.db2.gz JZEVBHRDSGXCMD-MRXNPFEDSA-N 1 2 292.379 1.605 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCc2ccco2)C1 ZINC001107732784 918702884 /nfs/dbraw/zinc/70/28/84/918702884.db2.gz JZEVBHRDSGXCMD-MRXNPFEDSA-N 1 2 292.379 1.605 20 30 CDEDLO C#CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183838676 918712703 /nfs/dbraw/zinc/71/27/03/918712703.db2.gz KNIXJWKKLZOUEN-INIZCTEOSA-N 1 2 281.359 1.662 20 30 CDEDLO C#CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183838676 918712711 /nfs/dbraw/zinc/71/27/11/918712711.db2.gz KNIXJWKKLZOUEN-INIZCTEOSA-N 1 2 281.359 1.662 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CC[C@@H]2CCOC2)C1 ZINC001107854561 918887743 /nfs/dbraw/zinc/88/77/43/918887743.db2.gz IIVDIIGIHJWQRO-GDBMZVCRSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CC[C@@H]2CCOC2)C1 ZINC001107854561 918887755 /nfs/dbraw/zinc/88/77/55/918887755.db2.gz IIVDIIGIHJWQRO-GDBMZVCRSA-N 1 2 296.411 1.196 20 30 CDEDLO C=C(C)COc1ccccc1C[N@@H+](C)CC(=O)NC ZINC001138662328 936555045 /nfs/dbraw/zinc/55/50/45/936555045.db2.gz UPGDLXJZQYMQNI-UHFFFAOYSA-N 1 2 262.353 1.819 20 30 CDEDLO C=C(C)COc1ccccc1C[N@H+](C)CC(=O)NC ZINC001138662328 936555047 /nfs/dbraw/zinc/55/50/47/936555047.db2.gz UPGDLXJZQYMQNI-UHFFFAOYSA-N 1 2 262.353 1.819 20 30 CDEDLO N#Cc1ccn(-c2ccc[nH+]c2N2CCOCC2)c1N ZINC001212354457 919248493 /nfs/dbraw/zinc/24/84/93/919248493.db2.gz WEZMTYOBOZIUSI-UHFFFAOYSA-N 1 2 269.308 1.163 20 30 CDEDLO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001138855868 936575315 /nfs/dbraw/zinc/57/53/15/936575315.db2.gz SFODJVHDVOEPAR-LLVKDONJSA-N 1 2 276.340 1.712 20 30 CDEDLO CCOC(=O)c1n[nH]cc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001138855868 936575316 /nfs/dbraw/zinc/57/53/16/936575316.db2.gz SFODJVHDVOEPAR-LLVKDONJSA-N 1 2 276.340 1.712 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001128087983 919852547 /nfs/dbraw/zinc/85/25/47/919852547.db2.gz HEFMLBLKROQDGP-LLVKDONJSA-N 1 2 292.383 1.913 20 30 CDEDLO C#C[C@H]1CCC[N@@H+](Cc2c(N)ncnc2Cl)C1 ZINC001139442075 936621372 /nfs/dbraw/zinc/62/13/72/936621372.db2.gz XCVSNVYSERSVOO-VIFPVBQESA-N 1 2 250.733 1.557 20 30 CDEDLO C#C[C@H]1CCC[N@H+](Cc2c(N)ncnc2Cl)C1 ZINC001139442075 936621374 /nfs/dbraw/zinc/62/13/74/936621374.db2.gz XCVSNVYSERSVOO-VIFPVBQESA-N 1 2 250.733 1.557 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(F)F)c2)C1 ZINC001078044942 920078440 /nfs/dbraw/zinc/07/84/40/920078440.db2.gz UIDYGFTURNEUSX-CHWSQXEVSA-N 1 2 294.301 1.032 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(F)F)c2)C1 ZINC001078044942 920078453 /nfs/dbraw/zinc/07/84/53/920078453.db2.gz UIDYGFTURNEUSX-CHWSQXEVSA-N 1 2 294.301 1.032 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2CC)C1 ZINC001078223610 920177374 /nfs/dbraw/zinc/17/73/74/920177374.db2.gz IMCWGHRZYKQQME-CHWSQXEVSA-N 1 2 292.404 1.109 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2CC)C1 ZINC001078223610 920177383 /nfs/dbraw/zinc/17/73/83/920177383.db2.gz IMCWGHRZYKQQME-CHWSQXEVSA-N 1 2 292.404 1.109 20 30 CDEDLO Cc1ccc(C[N@@H+]2Cc3ccnn3CC[C@@H]2CO)cc1C#N ZINC001139727309 936640197 /nfs/dbraw/zinc/64/01/97/936640197.db2.gz NKMHYUCQVVSOIH-QGZVFWFLSA-N 1 2 296.374 1.830 20 30 CDEDLO Cc1ccc(C[N@H+]2Cc3ccnn3CC[C@@H]2CO)cc1C#N ZINC001139727309 936640198 /nfs/dbraw/zinc/64/01/98/936640198.db2.gz NKMHYUCQVVSOIH-QGZVFWFLSA-N 1 2 296.374 1.830 20 30 CDEDLO N#C[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001139853067 936653180 /nfs/dbraw/zinc/65/31/80/936653180.db2.gz CFHAYJPOPXYVEB-LBPRGKRZSA-N 1 2 268.324 1.602 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001139853067 936653181 /nfs/dbraw/zinc/65/31/81/936653181.db2.gz CFHAYJPOPXYVEB-LBPRGKRZSA-N 1 2 268.324 1.602 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(F)CCCC2)C1 ZINC001108041018 920809942 /nfs/dbraw/zinc/80/99/42/920809942.db2.gz ZJIVULATACNGGN-CQSZACIVSA-N 1 2 284.375 1.662 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2(F)CCCC2)C1 ZINC001108041018 920809953 /nfs/dbraw/zinc/80/99/53/920809953.db2.gz ZJIVULATACNGGN-CQSZACIVSA-N 1 2 284.375 1.662 20 30 CDEDLO N#Cc1c(F)cc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)cc1F ZINC001140753121 936750667 /nfs/dbraw/zinc/75/06/67/936750667.db2.gz YHZYCHYANXEKFH-QMTHXVAHSA-N 1 2 282.290 1.012 20 30 CDEDLO N#Cc1c(F)cc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)cc1F ZINC001140753121 936750669 /nfs/dbraw/zinc/75/06/69/936750669.db2.gz YHZYCHYANXEKFH-QMTHXVAHSA-N 1 2 282.290 1.012 20 30 CDEDLO C[C@]1(O)COCC[N@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140807500 936760247 /nfs/dbraw/zinc/76/02/47/936760247.db2.gz AZFUZURASHYGGA-CQSZACIVSA-N 1 2 280.755 1.795 20 30 CDEDLO C[C@]1(O)COCC[N@@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140807500 936760248 /nfs/dbraw/zinc/76/02/48/936760248.db2.gz AZFUZURASHYGGA-CQSZACIVSA-N 1 2 280.755 1.795 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CCC)OC)C1 ZINC001108114637 922485932 /nfs/dbraw/zinc/48/59/32/922485932.db2.gz GYPMBEWQIGKCLY-HIFRSBDPSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CCC)OC)C1 ZINC001108114637 922485938 /nfs/dbraw/zinc/48/59/38/922485938.db2.gz GYPMBEWQIGKCLY-HIFRSBDPSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](F)CC)C1 ZINC001108121597 922555973 /nfs/dbraw/zinc/55/59/73/922555973.db2.gz CONOGPDWALWHGC-DGCLKSJQSA-N 1 2 258.337 1.128 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](F)CC)C1 ZINC001108121597 922555980 /nfs/dbraw/zinc/55/59/80/922555980.db2.gz CONOGPDWALWHGC-DGCLKSJQSA-N 1 2 258.337 1.128 20 30 CDEDLO Cc1nc(N[C@@H](C)CCNC(=O)C#CC(C)C)cc[nH+]1 ZINC001099064053 936777826 /nfs/dbraw/zinc/77/78/26/936777826.db2.gz LOLIZEKOTKSNTL-LBPRGKRZSA-N 1 2 274.368 1.751 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001108148366 922779064 /nfs/dbraw/zinc/77/90/64/922779064.db2.gz KLJLNUGQOWKPLK-CZUORRHYSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001108148366 922779080 /nfs/dbraw/zinc/77/90/80/922779080.db2.gz KLJLNUGQOWKPLK-CZUORRHYSA-N 1 2 280.412 1.816 20 30 CDEDLO C#CCC1(C(=O)NCC[NH2+]Cc2nnc(CC)o2)CCC1 ZINC001129121454 922927993 /nfs/dbraw/zinc/92/79/93/922927993.db2.gz VTUDOFBXNMECLP-UHFFFAOYSA-N 1 2 290.367 1.031 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)/C(C)=C\C)[C@@H](O)C1 ZINC001099771772 936808617 /nfs/dbraw/zinc/80/86/17/936808617.db2.gz IGZIAXLUMFMJQC-RTMGVABCSA-N 1 2 272.776 1.257 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)/C(C)=C\C)[C@@H](O)C1 ZINC001099771772 936808618 /nfs/dbraw/zinc/80/86/18/936808618.db2.gz IGZIAXLUMFMJQC-RTMGVABCSA-N 1 2 272.776 1.257 20 30 CDEDLO C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192550732 923124477 /nfs/dbraw/zinc/12/44/77/923124477.db2.gz LAYYVRHDTCOOOY-UKRRQHHQSA-N 1 2 290.411 1.840 20 30 CDEDLO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192550732 923124485 /nfs/dbraw/zinc/12/44/85/923124485.db2.gz LAYYVRHDTCOOOY-UKRRQHHQSA-N 1 2 290.411 1.840 20 30 CDEDLO N#Cc1ccc(C(=O)N(C(N)=[NH2+])c2ccccc2F)o1 ZINC001192682938 923190786 /nfs/dbraw/zinc/19/07/86/923190786.db2.gz DCOZBDMRYRUEEK-UHFFFAOYSA-N 1 2 272.239 1.831 20 30 CDEDLO C=CCCC(=O)NCCN(C)c1nc(C)[nH+]c(C)c1C ZINC001099956296 936824351 /nfs/dbraw/zinc/82/43/51/936824351.db2.gz RGLLCTVFMDQMOB-UHFFFAOYSA-N 1 2 276.384 1.920 20 30 CDEDLO N#C[C@@H]1COCCN1Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141244905 936834363 /nfs/dbraw/zinc/83/43/63/936834363.db2.gz WJONBUXEHPBGKI-OAHLLOKOSA-N 1 2 268.320 1.597 20 30 CDEDLO C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001193131686 923478998 /nfs/dbraw/zinc/47/89/98/923478998.db2.gz SXUOWQDFWFFESL-BBBLOLIVSA-N 1 2 298.280 1.014 20 30 CDEDLO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001193131686 923479009 /nfs/dbraw/zinc/47/90/09/923479009.db2.gz SXUOWQDFWFFESL-BBBLOLIVSA-N 1 2 298.280 1.014 20 30 CDEDLO Cc1cccn2c([C@H](C)NS(=O)(=O)[C@H](C)C#N)c[nH+]c12 ZINC001193181587 923543145 /nfs/dbraw/zinc/54/31/45/923543145.db2.gz BIOUULUSARTXPF-MNOVXSKESA-N 1 2 292.364 1.535 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)CC)C1 ZINC001108173787 923594822 /nfs/dbraw/zinc/59/48/22/923594822.db2.gz XYRORZVSLCDNRG-MRXNPFEDSA-N 1 2 280.412 1.653 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)CC)C1 ZINC001108173787 923594829 /nfs/dbraw/zinc/59/48/29/923594829.db2.gz XYRORZVSLCDNRG-MRXNPFEDSA-N 1 2 280.412 1.653 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(C)CC=CC2)C1 ZINC001108183927 923916937 /nfs/dbraw/zinc/91/69/37/923916937.db2.gz IJTSDAGMKYHQIW-INIZCTEOSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(C)CC=CC2)C1 ZINC001108183927 923916941 /nfs/dbraw/zinc/91/69/41/923916941.db2.gz IJTSDAGMKYHQIW-INIZCTEOSA-N 1 2 278.396 1.736 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C)CC2)[C@@H](O)C1 ZINC001090286729 923923021 /nfs/dbraw/zinc/92/30/21/923923021.db2.gz QAWVHVFPEKQQCH-MNOVXSKESA-N 1 2 272.776 1.090 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CC2)[C@@H](O)C1 ZINC001090286729 923923034 /nfs/dbraw/zinc/92/30/34/923923034.db2.gz QAWVHVFPEKQQCH-MNOVXSKESA-N 1 2 272.776 1.090 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc(C)cn2)C1 ZINC001079378814 924281772 /nfs/dbraw/zinc/28/17/72/924281772.db2.gz ISFWLEFEMIPFLE-NOZJJQNGSA-N 1 2 294.786 1.588 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc(C)cn2)C1 ZINC001079378814 924281781 /nfs/dbraw/zinc/28/17/81/924281781.db2.gz ISFWLEFEMIPFLE-NOZJJQNGSA-N 1 2 294.786 1.588 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001079392331 924286439 /nfs/dbraw/zinc/28/64/39/924286439.db2.gz XRGCPSDLZFYRGR-JLLWLGSASA-N 1 2 272.776 1.354 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001079392331 924286445 /nfs/dbraw/zinc/28/64/45/924286445.db2.gz XRGCPSDLZFYRGR-JLLWLGSASA-N 1 2 272.776 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924586834 /nfs/dbraw/zinc/58/68/34/924586834.db2.gz NFTUXBPPWPJOEW-YUSALJHKSA-N 1 2 268.788 1.976 20 30 CDEDLO Cc1[nH+]ccn1CCNC(=O)c1ccc(C#N)cc1O ZINC001195763801 924709484 /nfs/dbraw/zinc/70/94/84/924709484.db2.gz CTBPMWMTXNIYSS-UHFFFAOYSA-N 1 2 270.292 1.199 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(F)=C(C)C)[C@H](O)C1 ZINC001099766722 925005666 /nfs/dbraw/zinc/00/56/66/925005666.db2.gz PAONMGNKSQGRTE-GHMZBOCLSA-N 1 2 290.766 1.554 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(F)=C(C)C)[C@H](O)C1 ZINC001099766722 925005676 /nfs/dbraw/zinc/00/56/76/925005676.db2.gz PAONMGNKSQGRTE-GHMZBOCLSA-N 1 2 290.766 1.554 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(C)c3)[C@H]2C1 ZINC001082986983 925062050 /nfs/dbraw/zinc/06/20/50/925062050.db2.gz FQUALJHSAYOZLO-DLBZAZTESA-N 1 2 298.386 1.544 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(C)c3)[C@H]2C1 ZINC001082986983 925062055 /nfs/dbraw/zinc/06/20/55/925062055.db2.gz FQUALJHSAYOZLO-DLBZAZTESA-N 1 2 298.386 1.544 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CCC[N@@H+]([C@@H](C)C(=O)NC)CC1 ZINC001197291652 925117077 /nfs/dbraw/zinc/11/70/77/925117077.db2.gz JMZMAACFUXUFCG-ZDUSSCGKSA-N 1 2 295.427 1.258 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CCC[N@H+]([C@@H](C)C(=O)NC)CC1 ZINC001197291652 925117088 /nfs/dbraw/zinc/11/70/88/925117088.db2.gz JMZMAACFUXUFCG-ZDUSSCGKSA-N 1 2 295.427 1.258 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)c(CC)s2)[C@@H](O)C1 ZINC001084033589 925129428 /nfs/dbraw/zinc/12/94/28/925129428.db2.gz ZSWZAJPHVLRWTK-NEPJUHHUSA-N 1 2 292.404 1.027 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(CC)s2)[C@@H](O)C1 ZINC001084033589 925129432 /nfs/dbraw/zinc/12/94/32/925129432.db2.gz ZSWZAJPHVLRWTK-NEPJUHHUSA-N 1 2 292.404 1.027 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3F)[C@@H]2C1 ZINC001084319726 925225423 /nfs/dbraw/zinc/22/54/23/925225423.db2.gz FWWDXJLBGAYKLM-ZYHUDNBSSA-N 1 2 278.352 1.667 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3F)[C@@H]2C1 ZINC001084319726 925225435 /nfs/dbraw/zinc/22/54/35/925225435.db2.gz FWWDXJLBGAYKLM-ZYHUDNBSSA-N 1 2 278.352 1.667 20 30 CDEDLO C#C[C@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)[C@H]1CCCO1 ZINC000775798655 925273794 /nfs/dbraw/zinc/27/37/94/925273794.db2.gz HYSIKRGRMSDXFS-XHSDSOJGSA-N 1 2 286.375 1.586 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C)[C@@H]2C1 ZINC001084579908 925294956 /nfs/dbraw/zinc/29/49/56/925294956.db2.gz ATDAHLPSAYCQJZ-OJAKKHQRSA-N 1 2 268.788 1.928 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C)[C@@H]2C1 ZINC001084579908 925294959 /nfs/dbraw/zinc/29/49/59/925294959.db2.gz ATDAHLPSAYCQJZ-OJAKKHQRSA-N 1 2 268.788 1.928 20 30 CDEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2ccnc(F)c2)C1=O ZINC001273223877 925323747 /nfs/dbraw/zinc/32/37/47/925323747.db2.gz QLNAZLFHMRRCRF-INIZCTEOSA-N 1 2 287.338 1.421 20 30 CDEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccnc(F)c2)C1=O ZINC001273223877 925323757 /nfs/dbraw/zinc/32/37/57/925323757.db2.gz QLNAZLFHMRRCRF-INIZCTEOSA-N 1 2 287.338 1.421 20 30 CDEDLO CC1(C#N)CN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001142218114 936991731 /nfs/dbraw/zinc/99/17/31/936991731.db2.gz IOPURBDFNWXJEJ-UHFFFAOYSA-N 1 2 275.377 1.478 20 30 CDEDLO CC1(C#N)CN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001142218114 936991733 /nfs/dbraw/zinc/99/17/33/936991733.db2.gz IOPURBDFNWXJEJ-UHFFFAOYSA-N 1 2 275.377 1.478 20 30 CDEDLO C#Cc1ccc(C(=O)N(C)CCNc2cc[nH+]c(C)n2)cn1 ZINC001101708982 937003334 /nfs/dbraw/zinc/00/33/34/937003334.db2.gz JBHXDALEODIDBG-UHFFFAOYSA-N 1 2 295.346 1.345 20 30 CDEDLO C=C[C@H](C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O)c1ccccc1 ZINC001198955708 925578912 /nfs/dbraw/zinc/57/89/12/925578912.db2.gz IPOWKZAYQQPJMG-RRFJBIMHSA-N 1 2 292.354 1.087 20 30 CDEDLO C=C[C@H](C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O)c1ccccc1 ZINC001198955708 925578918 /nfs/dbraw/zinc/57/89/18/925578918.db2.gz IPOWKZAYQQPJMG-RRFJBIMHSA-N 1 2 292.354 1.087 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001108198217 925776345 /nfs/dbraw/zinc/77/63/45/925776345.db2.gz 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ZINC001085796239 926406877 /nfs/dbraw/zinc/40/68/77/926406877.db2.gz MWQWPVIHXWZYJT-LBPRGKRZSA-N 1 2 261.325 1.153 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(F)c(F)c(F)c1 ZINC001085834259 926439577 /nfs/dbraw/zinc/43/95/77/926439577.db2.gz GJEATWNRZKGNCS-NSHDSACASA-N 1 2 296.292 1.883 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(F)c(F)c(F)c1 ZINC001085834259 926439583 /nfs/dbraw/zinc/43/95/83/926439583.db2.gz GJEATWNRZKGNCS-NSHDSACASA-N 1 2 296.292 1.883 20 30 CDEDLO CN1CC[N@H+](Cc2c[nH]c3cc(C#N)ccc23)CC1=O ZINC001142911648 937091867 /nfs/dbraw/zinc/09/18/67/937091867.db2.gz CVMPYBZPELHMIK-UHFFFAOYSA-N 1 2 268.320 1.314 20 30 CDEDLO CN1CC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)CC1=O ZINC001142911648 937091869 /nfs/dbraw/zinc/09/18/69/937091869.db2.gz CVMPYBZPELHMIK-UHFFFAOYSA-N 1 2 268.320 1.314 20 30 CDEDLO Cc1nc(NC[C@@](C)(NC(=O)[C@H](C)C#N)C2CC2)cc[nH+]1 ZINC001103492601 937144744 /nfs/dbraw/zinc/14/47/44/937144744.db2.gz BRVRYXXRELUMQN-MEBBXXQBSA-N 1 2 287.367 1.642 20 30 CDEDLO Cc1c[nH+]c(NCCCc2c[nH][nH]c2=O)c(/C=N/O)c1 ZINC001156284711 927909210 /nfs/dbraw/zinc/90/92/10/927909210.db2.gz MFYRCSHWEDHHQS-UWOUAGFBSA-N 1 2 275.312 1.122 20 30 CDEDLO Cc1cc2ccncc2nc1N1CC[NH2+]C[C@@H]1C#N ZINC001156332818 928121538 /nfs/dbraw/zinc/12/15/38/928121538.db2.gz PPTFKRGBXHEQMO-LBPRGKRZSA-N 1 2 253.309 1.240 20 30 CDEDLO C=CCOC[C@@H](O)CNc1ccc(N(C)C)[nH+]c1 ZINC001252452002 928361995 /nfs/dbraw/zinc/36/19/95/928361995.db2.gz HETRIARGSOSPAV-LBPRGKRZSA-N 1 2 251.330 1.123 20 30 CDEDLO C=C[C@@](C)(O)C[N@@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001252556382 929220822 /nfs/dbraw/zinc/22/08/22/929220822.db2.gz BYXCYUBTATUMLX-AATLWQCWSA-N 1 2 251.248 1.327 20 30 CDEDLO C=C[C@@](C)(O)C[N@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001252556382 929220827 /nfs/dbraw/zinc/22/08/27/929220827.db2.gz BYXCYUBTATUMLX-AATLWQCWSA-N 1 2 251.248 1.327 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](C)n2cccc2)CC1 ZINC001112768029 929402270 /nfs/dbraw/zinc/40/22/70/929402270.db2.gz 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ZINC001274667898 931538782 /nfs/dbraw/zinc/53/87/82/931538782.db2.gz SDDKXGQVKYCMCE-INIZCTEOSA-N 1 2 285.347 1.461 20 30 CDEDLO O=C(CCS)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001143977910 931614843 /nfs/dbraw/zinc/61/48/43/931614843.db2.gz IBUSAWAEVQZOSB-UHFFFAOYSA-N 1 2 292.364 1.124 20 30 CDEDLO Cc1cc(C#N)cc(C(=O)N2CC3(CC[N@H+]3C)C2)c1 ZINC001275585686 931896128 /nfs/dbraw/zinc/89/61/28/931896128.db2.gz ZVDFLFVICRSCIO-UHFFFAOYSA-N 1 2 255.321 1.397 20 30 CDEDLO Cc1cc(C#N)cc(C(=O)N2CC3(CC[N@@H+]3C)C2)c1 ZINC001275585686 931896130 /nfs/dbraw/zinc/89/61/30/931896130.db2.gz ZVDFLFVICRSCIO-UHFFFAOYSA-N 1 2 255.321 1.397 20 30 CDEDLO CN1CCO[C@@]2(CCC[N@H+](Cc3cccc(C#N)n3)C2)C1 ZINC001275605156 931903835 /nfs/dbraw/zinc/90/38/35/931903835.db2.gz FANBRFMMQYJSQB-INIZCTEOSA-N 1 2 286.379 1.250 20 30 CDEDLO CN1CCO[C@@]2(CCC[N@@H+](Cc3cccc(C#N)n3)C2)C1 ZINC001275605156 931903843 /nfs/dbraw/zinc/90/38/43/931903843.db2.gz FANBRFMMQYJSQB-INIZCTEOSA-N 1 2 286.379 1.250 20 30 CDEDLO C#Cc1ccc(C[NH+]2CC(N3CCOC(C)(C)C3)C2)cc1 ZINC001144576947 931908995 /nfs/dbraw/zinc/90/89/95/931908995.db2.gz XFHASZQPKLITCB-UHFFFAOYSA-N 1 2 284.403 1.963 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C)cc2O)CC1 ZINC001148504497 932727539 /nfs/dbraw/zinc/72/75/39/932727539.db2.gz UJAAIPVKYYOHQZ-UHFFFAOYSA-N 1 2 260.337 1.644 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]21 ZINC001114512158 934783949 /nfs/dbraw/zinc/78/39/49/934783949.db2.gz VNYJEBZEUXSYIK-ZSOGYDGISA-N 1 2 286.379 1.550 20 30 CDEDLO C#Cc1ccccc1CC(=O)N(C)C1C[NH+](CC(=C)C)C1 ZINC001044230712 935855266 /nfs/dbraw/zinc/85/52/66/935855266.db2.gz FQHMOSKZRUJPIV-UHFFFAOYSA-N 1 2 282.387 1.929 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)OCCc1cn2c([nH+]1)CCCC2 ZINC001123036288 936107110 /nfs/dbraw/zinc/10/71/10/936107110.db2.gz NESCZZDJELWPEK-KGLIPLIRSA-N 1 2 290.363 1.896 20 30 CDEDLO C#CCCCC(=O)N1C[C@@H](Nc2cc[nH+]c(C)n2)C[C@H]1C ZINC001123224993 936129159 /nfs/dbraw/zinc/12/91/59/936129159.db2.gz UUCYIDAFYKVZNB-OCCSQVGLSA-N 1 2 286.379 1.990 20 30 CDEDLO Cc1nc(Cl)nc(N2CC[NH2+]C[C@@H]2C#N)c1C ZINC001156320626 938351449 /nfs/dbraw/zinc/35/14/49/938351449.db2.gz BGKRBBSPYDKHQP-VIFPVBQESA-N 1 2 251.721 1.049 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1cc(CC#N)ccn1 ZINC001157462718 938496644 /nfs/dbraw/zinc/49/66/44/938496644.db2.gz WVNZFMWFBKOEMD-UHFFFAOYSA-N 1 2 255.325 1.871 20 30 CDEDLO Cc1cnc(NCC2([NH+]3CCCC3)COC2)c(C#N)c1 ZINC001157650630 938526704 /nfs/dbraw/zinc/52/67/04/938526704.db2.gz RIRJDACQCJUXNJ-UHFFFAOYSA-N 1 2 272.352 1.538 20 30 CDEDLO CC#CC[NH2+]CCCNC(=O)C(F)C(F)(F)F ZINC001158471457 938628284 /nfs/dbraw/zinc/62/82/84/938628284.db2.gz KQBCMOXTPHUDML-QMMMGPOBSA-N 1 2 254.227 1.006 20 30 CDEDLO CC#CC[NH2+]CCCNC(=O)[C@H](F)C(F)(F)F ZINC001158471457 938628290 /nfs/dbraw/zinc/62/82/90/938628290.db2.gz KQBCMOXTPHUDML-QMMMGPOBSA-N 1 2 254.227 1.006 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNc2cc(C#N)c(Cl)cn2)C1 ZINC001162680997 939113722 /nfs/dbraw/zinc/11/37/22/939113722.db2.gz UGGLBLIQNUBBIU-SNVBAGLBSA-N 1 2 266.732 1.349 20 30 CDEDLO C[N@H+]1CCO[C@H](CNc2cc(C#N)c(Cl)cn2)C1 ZINC001162680997 939113725 /nfs/dbraw/zinc/11/37/25/939113725.db2.gz UGGLBLIQNUBBIU-SNVBAGLBSA-N 1 2 266.732 1.349 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1ncccc1C#N ZINC001162849956 939152873 /nfs/dbraw/zinc/15/28/73/939152873.db2.gz SHQFSUSIUXTHQX-JTQLQIEISA-N 1 2 262.313 1.034 20 30 CDEDLO N#CCc1ccc[nH+]c1NC[C@@H](O)COc1ccccc1 ZINC001163804888 939335831 /nfs/dbraw/zinc/33/58/31/939335831.db2.gz JOTGDXMMGAHEGN-CQSZACIVSA-N 1 2 283.331 1.999 20 30 CDEDLO COc1cc(C#N)nc(N2CC[NH2+]CC(F)(F)C2)c1 ZINC001164492874 939478923 /nfs/dbraw/zinc/47/89/23/939478923.db2.gz JDNOBSHEISYPMT-UHFFFAOYSA-N 1 2 268.267 1.007 20 30 CDEDLO CCOC(=O)c1c(C)cc(N2CC[NH2+]C[C@H]2C#N)nc1C ZINC001164650862 939502000 /nfs/dbraw/zinc/50/20/00/939502000.db2.gz DLTVMTYVNIEJKH-GFCCVEGCSA-N 1 2 288.351 1.177 20 30 CDEDLO COc1cnc(N2CC[NH2+]C[C@H]2C#N)c(Cl)c1 ZINC001164652986 939502471 /nfs/dbraw/zinc/50/24/71/939502471.db2.gz XOEMPNKFDAYBHM-MRVPVSSYSA-N 1 2 252.705 1.045 20 30 CDEDLO COC(=O)c1cccc2nc(N3CC[NH2+]C[C@H]3C#N)ccc21 ZINC001164662205 939502990 /nfs/dbraw/zinc/50/29/90/939502990.db2.gz SLTPWOLPKHWQQH-LLVKDONJSA-N 1 2 296.330 1.323 20 30 CDEDLO Cc1cc2ncnc(N3CC[NH2+]C[C@H]3C#N)c2cc1C ZINC001164661552 939503012 /nfs/dbraw/zinc/50/30/12/939503012.db2.gz MUACXPCLZGCXRX-GFCCVEGCSA-N 1 2 267.336 1.548 20 30 CDEDLO Cn1cc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1C#N ZINC001207104680 940150107 /nfs/dbraw/zinc/15/01/07/940150107.db2.gz VPOAGZOHCBQADK-ZDUSSCGKSA-N 1 2 273.361 1.671 20 30 CDEDLO Cn1cc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1C#N ZINC001207104680 940150110 /nfs/dbraw/zinc/15/01/10/940150110.db2.gz VPOAGZOHCBQADK-ZDUSSCGKSA-N 1 2 273.361 1.671 20 30 CDEDLO C=C(C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001208255948 940313557 /nfs/dbraw/zinc/31/35/57/940313557.db2.gz VCVURGPZGOJGSA-CYBMUJFWSA-N 1 2 292.383 1.815 20 30 CDEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001220149244 941416839 /nfs/dbraw/zinc/41/68/39/941416839.db2.gz DPIFRUHLGSGPRO-QPJKDDTCSA-N 1 2 298.814 1.484 20 30 CDEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001220149244 941416841 /nfs/dbraw/zinc/41/68/41/941416841.db2.gz DPIFRUHLGSGPRO-QPJKDDTCSA-N 1 2 298.814 1.484 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@@H]1O ZINC001220239374 941426466 /nfs/dbraw/zinc/42/64/66/941426466.db2.gz BHZCFZKMACBGEN-KGLIPLIRSA-N 1 2 293.367 1.001 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@@H]1O ZINC001220239374 941426468 /nfs/dbraw/zinc/42/64/68/941426468.db2.gz BHZCFZKMACBGEN-KGLIPLIRSA-N 1 2 293.367 1.001 20 30 CDEDLO CCOC(=O)C[C@@H](CC#N)OCc1c[nH+]cn1C ZINC001222594010 941618587 /nfs/dbraw/zinc/61/85/87/941618587.db2.gz BIYKASPHRZSDCC-LLVKDONJSA-N 1 2 251.286 1.172 20 30 CDEDLO CC(C)[NH+]1CC(OCc2nc(-c3ccnc(C#N)c3)no2)C1 ZINC001222805655 941635517 /nfs/dbraw/zinc/63/55/17/941635517.db2.gz HOCAGQZNPDQLNJ-UHFFFAOYSA-N 1 2 299.334 1.612 20 30 CDEDLO C=CC[NH+]1CCC(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001223258358 941665226 /nfs/dbraw/zinc/66/52/26/941665226.db2.gz HPFBKLKTRBQGDL-SNVBAGLBSA-N 1 2 282.281 1.901 20 30 CDEDLO C=CC[NH+]1CCC(CNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001223258358 941665229 /nfs/dbraw/zinc/66/52/29/941665229.db2.gz HPFBKLKTRBQGDL-SNVBAGLBSA-N 1 2 282.281 1.901 20 30 CDEDLO COc1cc(C#N)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001225195368 941829355 /nfs/dbraw/zinc/82/93/55/941829355.db2.gz PBEDAGUYQAQIFB-FDAWXEHDSA-N 1 2 286.331 1.558 20 30 CDEDLO COc1cc(C#N)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001225195368 941829359 /nfs/dbraw/zinc/82/93/59/941829359.db2.gz PBEDAGUYQAQIFB-FDAWXEHDSA-N 1 2 286.331 1.558 20 30 CDEDLO Cc1cc(=O)[nH]c(O[C@@H](C)C[N+](C)(C)C)c1C#N ZINC001226222835 941969215 /nfs/dbraw/zinc/96/92/15/941969215.db2.gz IBJUZPYICRRECK-JTQLQIEISA-O 1 2 250.322 1.441 20 30 CDEDLO C=CCNC(=O)N1C[C@@H]2COC[C@H](C1)[N@@H+]2C1CCCC1 ZINC001277173176 942112164 /nfs/dbraw/zinc/11/21/64/942112164.db2.gz XNOMOFJOVXBDNZ-OKILXGFUSA-N 1 2 279.384 1.210 20 30 CDEDLO C=CCNC(=O)N1C[C@@H]2COC[C@H](C1)[N@H+]2C1CCCC1 ZINC001277173176 942112170 /nfs/dbraw/zinc/11/21/70/942112170.db2.gz XNOMOFJOVXBDNZ-OKILXGFUSA-N 1 2 279.384 1.210 20 30 CDEDLO Cc1cc(C#N)cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001227838868 942236420 /nfs/dbraw/zinc/23/64/20/942236420.db2.gz SLWIZRLPCSVIMD-JGPUMOJJSA-N 1 2 270.332 1.858 20 30 CDEDLO Cc1cc(C#N)cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001227838868 942236423 /nfs/dbraw/zinc/23/64/23/942236423.db2.gz SLWIZRLPCSVIMD-JGPUMOJJSA-N 1 2 270.332 1.858 20 30 CDEDLO COc1cc2c(cc1OC1CN(CCC#N)C1)C=[NH+]CC2 ZINC001228093059 942268651 /nfs/dbraw/zinc/26/86/51/942268651.db2.gz VSEYUCANOXEEQB-UHFFFAOYSA-N 1 2 285.347 1.647 20 30 CDEDLO Cc1cc(F)ncc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001228592396 942339419 /nfs/dbraw/zinc/33/94/19/942339419.db2.gz VLEAMBKEFFQTDX-OTDFPYDRSA-N 1 2 264.300 1.520 20 30 CDEDLO Cc1cc(F)ncc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001228592396 942339426 /nfs/dbraw/zinc/33/94/26/942339426.db2.gz VLEAMBKEFFQTDX-OTDFPYDRSA-N 1 2 264.300 1.520 20 30 CDEDLO CC#CCCCC(=O)NC1CC[NH+](Cc2ccon2)CC1 ZINC001228718586 942368068 /nfs/dbraw/zinc/36/80/68/942368068.db2.gz QNAZNBJPIXJATM-UHFFFAOYSA-N 1 2 289.379 1.949 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC001228773254 942374373 /nfs/dbraw/zinc/37/43/73/942374373.db2.gz DTLFXEQWWRPMKX-LLVKDONJSA-N 1 2 277.280 1.176 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC001228773254 942374374 /nfs/dbraw/zinc/37/43/74/942374374.db2.gz DTLFXEQWWRPMKX-LLVKDONJSA-N 1 2 277.280 1.176 20 30 CDEDLO Cc1cccc(C#N)c1O[C@H](C)C[NH+]1CCOCC1 ZINC001229179163 942428459 /nfs/dbraw/zinc/42/84/59/942428459.db2.gz FIRCBWCJJGFSSP-CYBMUJFWSA-N 1 2 260.337 1.966 20 30 CDEDLO CCc1cc(Cl)nnc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001230544798 942636130 /nfs/dbraw/zinc/63/61/30/942636130.db2.gz YPRGCZSOSHPVJB-NJFCNUMCSA-N 1 2 295.770 1.684 20 30 CDEDLO CCc1cc(Cl)nnc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001230544798 942636131 /nfs/dbraw/zinc/63/61/31/942636131.db2.gz YPRGCZSOSHPVJB-NJFCNUMCSA-N 1 2 295.770 1.684 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCC ZINC001230634424 942663508 /nfs/dbraw/zinc/66/35/08/942663508.db2.gz XAFSCEAZVDESRD-QWHCGFSZSA-N 1 2 281.400 1.010 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC ZINC001230634424 942663512 /nfs/dbraw/zinc/66/35/12/942663512.db2.gz XAFSCEAZVDESRD-QWHCGFSZSA-N 1 2 281.400 1.010 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1nccnc1C ZINC001231170941 942807101 /nfs/dbraw/zinc/80/71/01/942807101.db2.gz WHOIDBLSTKKQCK-CQSZACIVSA-N 1 2 288.395 1.784 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1nccnc1C ZINC001231170941 942807105 /nfs/dbraw/zinc/80/71/05/942807105.db2.gz WHOIDBLSTKKQCK-CQSZACIVSA-N 1 2 288.395 1.784 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccn1 ZINC001231246155 942831291 /nfs/dbraw/zinc/83/12/91/942831291.db2.gz DHJVSNBWXIXXFC-JSGCOSHPSA-N 1 2 272.352 1.274 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccn1 ZINC001231246155 942831301 /nfs/dbraw/zinc/83/13/01/942831301.db2.gz DHJVSNBWXIXXFC-JSGCOSHPSA-N 1 2 272.352 1.274 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(N)nc2C)CC1 ZINC001232345266 943231736 /nfs/dbraw/zinc/23/17/36/943231736.db2.gz GNGFUZAXEAAGOR-UHFFFAOYSA-N 1 2 288.351 1.251 20 30 CDEDLO C[C@H]1C[NH+](C2CN(Cc3cc(C#N)ccn3)C2)C[C@H](C)O1 ZINC001232481789 943294701 /nfs/dbraw/zinc/29/47/01/943294701.db2.gz IDCXXOJQAJBMFU-STQMWFEESA-N 1 2 286.379 1.247 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c1 ZINC001232675997 943356798 /nfs/dbraw/zinc/35/67/98/943356798.db2.gz XLPOVIKGELNTKG-IVMMDQJWSA-N 1 2 288.347 1.236 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c1 ZINC001232675997 943356803 /nfs/dbraw/zinc/35/68/03/943356803.db2.gz XLPOVIKGELNTKG-IVMMDQJWSA-N 1 2 288.347 1.236 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H](CCO)C2)c1 ZINC001232678509 943359886 /nfs/dbraw/zinc/35/98/86/943359886.db2.gz AZFRWUBYKYWRFP-LBPRGKRZSA-N 1 2 260.337 1.858 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](CCO)C2)c1 ZINC001232678509 943359888 /nfs/dbraw/zinc/35/98/88/943359888.db2.gz AZFRWUBYKYWRFP-LBPRGKRZSA-N 1 2 260.337 1.858 20 30 CDEDLO COC[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OC ZINC001474450696 970985671 /nfs/dbraw/zinc/98/56/71/970985671.db2.gz VFVYLZXTVPRIFQ-QWKFWESOSA-N 1 2 254.330 1.236 20 30 CDEDLO CN(C)c1ccc(C[NH+]2CC(CO)C2)c(F)c1C#N ZINC001233100340 943491428 /nfs/dbraw/zinc/49/14/28/943491428.db2.gz GEJWDGILEGSGQV-UHFFFAOYSA-N 1 2 263.316 1.187 20 30 CDEDLO C[C@@]1(O)CC[N@H+](Cc2ccc(C#N)cc2O)C[C@@H]1F ZINC001233383827 943569625 /nfs/dbraw/zinc/56/96/25/943569625.db2.gz XQZDFIVSMNJNHU-UONOGXRCSA-N 1 2 264.300 1.559 20 30 CDEDLO C[C@@]1(O)CC[N@@H+](Cc2ccc(C#N)cc2O)C[C@@H]1F ZINC001233383827 943569627 /nfs/dbraw/zinc/56/96/27/943569627.db2.gz XQZDFIVSMNJNHU-UONOGXRCSA-N 1 2 264.300 1.559 20 30 CDEDLO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1ccc(C#N)cc1O ZINC001233384045 943571832 /nfs/dbraw/zinc/57/18/32/943571832.db2.gz FEGJNYNHJNTAEQ-NWDGAFQWSA-N 1 2 259.353 1.788 20 30 CDEDLO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1Cc1ccc(C#N)cc1O ZINC001233384045 943571835 /nfs/dbraw/zinc/57/18/35/943571835.db2.gz FEGJNYNHJNTAEQ-NWDGAFQWSA-N 1 2 259.353 1.788 20 30 CDEDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(C#N)cc1O ZINC001233384045 943571838 /nfs/dbraw/zinc/57/18/38/943571838.db2.gz FEGJNYNHJNTAEQ-NWDGAFQWSA-N 1 2 259.353 1.788 20 30 CDEDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(C#N)cc1O ZINC001233384045 943571842 /nfs/dbraw/zinc/57/18/42/943571842.db2.gz FEGJNYNHJNTAEQ-NWDGAFQWSA-N 1 2 259.353 1.788 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c[nH]c(=O)c3ccccc23)CC1 ZINC001234008447 943713801 /nfs/dbraw/zinc/71/38/01/943713801.db2.gz XCIVKNQFKVAZTA-UHFFFAOYSA-N 1 2 281.359 1.691 20 30 CDEDLO CC[C@@H](F)C[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234162860 943760594 /nfs/dbraw/zinc/76/05/94/943760594.db2.gz VWJALDISRHMGOO-KGLIPLIRSA-N 1 2 268.376 1.927 20 30 CDEDLO CC[C@@H](F)C[N@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234162860 943760598 /nfs/dbraw/zinc/76/05/98/943760598.db2.gz VWJALDISRHMGOO-KGLIPLIRSA-N 1 2 268.376 1.927 20 30 CDEDLO CC[C@H](F)C[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234179922 943766372 /nfs/dbraw/zinc/76/63/72/943766372.db2.gz YOCYZBKBGZYICW-KBPBESRZSA-N 1 2 266.360 1.681 20 30 CDEDLO CC[C@H](F)C[N@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234179922 943766376 /nfs/dbraw/zinc/76/63/76/943766376.db2.gz YOCYZBKBGZYICW-KBPBESRZSA-N 1 2 266.360 1.681 20 30 CDEDLO CN(C[C@H]1CC[N@@H+]1C/C=C/Cl)C(=O)C#CC1CC1 ZINC001234197003 943773848 /nfs/dbraw/zinc/77/38/48/943773848.db2.gz XOHABEBOMQFGTN-DRQXCOHGSA-N 1 2 266.772 1.685 20 30 CDEDLO CN(C[C@H]1CC[N@H+]1C/C=C/Cl)C(=O)C#CC1CC1 ZINC001234197003 943773851 /nfs/dbraw/zinc/77/38/51/943773851.db2.gz XOHABEBOMQFGTN-DRQXCOHGSA-N 1 2 266.772 1.685 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(C(F)F)CC1 ZINC001234305175 943799501 /nfs/dbraw/zinc/79/95/01/943799501.db2.gz QRDOVENBOCULRZ-JTQLQIEISA-N 1 2 256.296 1.198 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C(F)F)CC1 ZINC001234305175 943799506 /nfs/dbraw/zinc/79/95/06/943799506.db2.gz QRDOVENBOCULRZ-JTQLQIEISA-N 1 2 256.296 1.198 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NCCC ZINC001234604163 943911325 /nfs/dbraw/zinc/91/13/25/943911325.db2.gz MOXVJKUDVPOQLW-CQSZACIVSA-N 1 2 295.427 1.402 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NCCC ZINC001234604163 943911329 /nfs/dbraw/zinc/91/13/29/943911329.db2.gz MOXVJKUDVPOQLW-CQSZACIVSA-N 1 2 295.427 1.402 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccnn1C ZINC001234604129 943911564 /nfs/dbraw/zinc/91/15/64/943911564.db2.gz LKAYZKGZXGDTDC-OAHLLOKOSA-N 1 2 290.411 1.809 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccnn1C ZINC001234604129 943911566 /nfs/dbraw/zinc/91/15/66/943911566.db2.gz LKAYZKGZXGDTDC-OAHLLOKOSA-N 1 2 290.411 1.809 20 30 CDEDLO C#Cc1ccccc1CC(=O)NCCc1[nH+]ccn1C ZINC001263922327 944033127 /nfs/dbraw/zinc/03/31/27/944033127.db2.gz UGFAJIMSYNJYNW-UHFFFAOYSA-N 1 2 267.332 1.303 20 30 CDEDLO C[C@@H]1CCN(C(=O)c2ccc(C#N)n2C)C[C@H]1n1cc[nH+]c1 ZINC001362236435 971054557 /nfs/dbraw/zinc/05/45/57/971054557.db2.gz MWIPHXZPNFDCSH-IUODEOHRSA-N 1 2 297.362 1.817 20 30 CDEDLO Cn1cnc2c1C[N@H+](Cc1cn3cc(C#N)ccc3n1)CC2 ZINC001237616725 944889670 /nfs/dbraw/zinc/88/96/70/944889670.db2.gz GMTXLHMGDZDWSS-UHFFFAOYSA-N 1 2 292.346 1.498 20 30 CDEDLO Cn1cnc2c1C[N@@H+](Cc1cn3cc(C#N)ccc3n1)CC2 ZINC001237616725 944889672 /nfs/dbraw/zinc/88/96/72/944889672.db2.gz GMTXLHMGDZDWSS-UHFFFAOYSA-N 1 2 292.346 1.498 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)[C@@H](C#N)CCc1ccccc1 ZINC001362347264 971176809 /nfs/dbraw/zinc/17/68/09/971176809.db2.gz MUJDCKLWHRWNOO-OAHLLOKOSA-N 1 2 296.374 1.851 20 30 CDEDLO CCC[N@H+](C[C@H](O)CC#N)[C@@H](CC)C(=O)OCC ZINC001262273677 946557134 /nfs/dbraw/zinc/55/71/34/946557134.db2.gz FDCZEIJGRNKCFV-NEPJUHHUSA-N 1 2 256.346 1.315 20 30 CDEDLO CCC[N@@H+](C[C@H](O)CC#N)[C@@H](CC)C(=O)OCC ZINC001262273677 946557140 /nfs/dbraw/zinc/55/71/40/946557140.db2.gz FDCZEIJGRNKCFV-NEPJUHHUSA-N 1 2 256.346 1.315 20 30 CDEDLO C=CCNC(=O)c1cccnc1-c1c[nH+]c(N)cc1C ZINC001242078777 946592519 /nfs/dbraw/zinc/59/25/19/946592519.db2.gz QOKPSGMNZYAHTP-UHFFFAOYSA-N 1 2 268.320 1.950 20 30 CDEDLO N#C[C@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254603993 947553844 /nfs/dbraw/zinc/55/38/44/947553844.db2.gz ROBYIGHBGGZDPQ-QMTHXVAHSA-N 1 2 257.293 1.907 20 30 CDEDLO N#C[C@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254603993 947553850 /nfs/dbraw/zinc/55/38/50/947553850.db2.gz ROBYIGHBGGZDPQ-QMTHXVAHSA-N 1 2 257.293 1.907 20 30 CDEDLO CCS(=O)(=O)c1cnc(C[NH2+][C@@H]2CC[C@H](C#N)C2)nc1 ZINC001254645266 947569165 /nfs/dbraw/zinc/56/91/65/947569165.db2.gz BEKRUTOSXQEDKW-WDEREUQCSA-N 1 2 294.380 1.052 20 30 CDEDLO C=CC[C@H]([NH2+][C@H]1CCC[C@H](C(=O)OCC)C1)C(=O)OC ZINC001255342270 947828612 /nfs/dbraw/zinc/82/86/12/947828612.db2.gz HDZJLSFXRUJKQR-AVGNSLFASA-N 1 2 283.368 1.816 20 30 CDEDLO CC(C)CC(=O)N1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC001256680414 948393562 /nfs/dbraw/zinc/39/35/62/948393562.db2.gz ZGNHSRLIOXIFFE-ZDUSSCGKSA-N 1 2 267.373 1.105 20 30 CDEDLO C=CCCNC(=S)NCCOc1cc[nH+]cc1 ZINC001247690250 948704790 /nfs/dbraw/zinc/70/47/90/948704790.db2.gz ISKSAWHMDNFEAT-UHFFFAOYSA-N 1 2 251.355 1.501 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)COC)[C@H]1C ZINC001278495840 948872584 /nfs/dbraw/zinc/87/25/84/948872584.db2.gz WGNCQGODIHZRCL-MNOVXSKESA-N 1 2 260.765 1.354 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)COC)[C@H]1C ZINC001278495840 948872606 /nfs/dbraw/zinc/87/26/06/948872606.db2.gz WGNCQGODIHZRCL-MNOVXSKESA-N 1 2 260.765 1.354 20 30 CDEDLO C#CCOC[C@@H](O)C[NH+]1CC(Oc2ccc(F)c(F)c2)C1 ZINC001251847579 950865623 /nfs/dbraw/zinc/86/56/23/950865623.db2.gz IRHYHGBXZAVNJM-NSHDSACASA-N 1 2 297.301 1.039 20 30 CDEDLO C=CCOC[C@H](O)C[NH2+]C1(C(=O)OCC)CCCC1 ZINC001252451262 951287346 /nfs/dbraw/zinc/28/73/46/951287346.db2.gz PDNJGMLZIBBHLF-GFCCVEGCSA-N 1 2 271.357 1.015 20 30 CDEDLO C=C[C@](C)(O)CN1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001252558225 951452513 /nfs/dbraw/zinc/45/25/13/951452513.db2.gz RRJAZMHZOPKUHY-STQMWFEESA-N 1 2 274.355 1.729 20 30 CDEDLO C=CCC[C@@H](O)CNc1ccc(N2CC[C@H](O)C2)[nH+]c1 ZINC001252592652 951487637 /nfs/dbraw/zinc/48/76/37/951487637.db2.gz YJCSJMJFAIQKJI-KGLIPLIRSA-N 1 2 277.368 1.392 20 30 CDEDLO COc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C#N)C1 ZINC001252889074 951698540 /nfs/dbraw/zinc/69/85/40/951698540.db2.gz TVDBYVXWNHYLTK-QWHCGFSZSA-N 1 2 276.336 1.280 20 30 CDEDLO COc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C#N)C1 ZINC001252889074 951698543 /nfs/dbraw/zinc/69/85/43/951698543.db2.gz TVDBYVXWNHYLTK-QWHCGFSZSA-N 1 2 276.336 1.280 20 30 CDEDLO C=C[C@@H](O)C[N@H+]1CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC001253585863 951976627 /nfs/dbraw/zinc/97/66/27/951976627.db2.gz HDJIGJQWWJFYNB-GHMZBOCLSA-N 1 2 256.346 1.432 20 30 CDEDLO C=C[C@@H](O)C[N@@H+]1CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC001253585863 951976630 /nfs/dbraw/zinc/97/66/30/951976630.db2.gz HDJIGJQWWJFYNB-GHMZBOCLSA-N 1 2 256.346 1.432 20 30 CDEDLO C=C[C@@H](O)CNc1ccccc1C[NH+]1CCOCC1 ZINC001253590578 951983181 /nfs/dbraw/zinc/98/31/81/951983181.db2.gz WJARRINIUWPDLJ-CQSZACIVSA-N 1 2 262.353 1.478 20 30 CDEDLO C=C[C@@H](COC)NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC001324668699 953505419 /nfs/dbraw/zinc/50/54/19/953505419.db2.gz HBOOFZZNKAJMHA-OLZOCXBDSA-N 1 2 292.383 1.510 20 30 CDEDLO C[C@@](CO)([NH2+]Cc1cc(C#N)ccn1)c1cccc(O)c1 ZINC001363249477 972018110 /nfs/dbraw/zinc/01/81/10/972018110.db2.gz OOHCCJVFZTUENT-INIZCTEOSA-N 1 2 283.331 1.656 20 30 CDEDLO C#CC[C@H](CCOC)NC(=O)NCCCCn1cc[nH+]c1 ZINC001328687742 955414000 /nfs/dbraw/zinc/41/40/00/955414000.db2.gz BTZCLEASMIKZPM-CQSZACIVSA-N 1 2 292.383 1.391 20 30 CDEDLO CCC(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001492177058 955667052 /nfs/dbraw/zinc/66/70/52/955667052.db2.gz SWZSYXGZLYYUHQ-UHFFFAOYSA-N 1 2 263.316 1.655 20 30 CDEDLO CCC(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001492177058 955667066 /nfs/dbraw/zinc/66/70/66/955667066.db2.gz SWZSYXGZLYYUHQ-UHFFFAOYSA-N 1 2 263.316 1.655 20 30 CDEDLO N#CC1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001330167077 956300047 /nfs/dbraw/zinc/30/00/47/956300047.db2.gz BIWBSAMOBKPROD-LBPRGKRZSA-N 1 2 258.325 1.208 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnn2c1CCC2 ZINC001366538499 956937684 /nfs/dbraw/zinc/93/76/84/956937684.db2.gz UTDRTLJTXOFHOP-UHFFFAOYSA-N 1 2 282.775 1.243 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnn2c1CCC2 ZINC001366538499 956937692 /nfs/dbraw/zinc/93/76/92/956937692.db2.gz UTDRTLJTXOFHOP-UHFFFAOYSA-N 1 2 282.775 1.243 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)Cc2c[nH]cn2)C1 ZINC001368174775 958682776 /nfs/dbraw/zinc/68/27/76/958682776.db2.gz NZVIRMPZVJXBAT-CYBMUJFWSA-N 1 2 282.775 1.285 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)Cc2c[nH]cn2)C1 ZINC001368174775 958682783 /nfs/dbraw/zinc/68/27/83/958682783.db2.gz NZVIRMPZVJXBAT-CYBMUJFWSA-N 1 2 282.775 1.285 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2cnn(C)c2)C1 ZINC001369076202 959442687 /nfs/dbraw/zinc/44/26/87/959442687.db2.gz VJEBVCCHKDSVQG-NSHDSACASA-N 1 2 296.802 1.152 20 30 CDEDLO C=C[C@](C)(O)C(=O)N1CC[NH2+][C@@H](c2cccc(OC)c2)C1 ZINC001336023171 960159895 /nfs/dbraw/zinc/15/98/95/960159895.db2.gz BVEGNXXNFIBSHF-ZBFHGGJFSA-N 1 2 290.363 1.105 20 30 CDEDLO Cc1nc(C(=O)OCc2cc[nH+]c(N)c2)ccc1C#N ZINC001322276599 960165100 /nfs/dbraw/zinc/16/51/00/960165100.db2.gz CXYNQMLXHNZKOI-UHFFFAOYSA-N 1 2 268.276 1.596 20 30 CDEDLO C=CCCC[C@@H]([NH3+])c1nc([C@@H]2CCS(=O)(=O)C2)no1 ZINC001336299918 960293220 /nfs/dbraw/zinc/29/32/20/960293220.db2.gz LLIRFZBOSCODKR-NXEZZACHSA-N 1 2 285.369 1.328 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H](C)COC)C1CC1 ZINC001437778187 963176832 /nfs/dbraw/zinc/17/68/32/963176832.db2.gz LGMYSLMNZZYYQF-JTQLQIEISA-N 1 2 274.792 1.602 20 30 CDEDLO C[C@H](C#N)C(=O)NCC1C[NH+](Cc2ccc(F)c(F)c2)C1 ZINC001438110156 963326994 /nfs/dbraw/zinc/32/69/94/963326994.db2.gz GRQBFPDMYFCZES-SNVBAGLBSA-N 1 2 293.317 1.672 20 30 CDEDLO C=CCCn1cc(C(=O)OCCCc2c[nH+]cn2C)nn1 ZINC001343737874 964126822 /nfs/dbraw/zinc/12/68/22/964126822.db2.gz CKORCLDYPGIANI-UHFFFAOYSA-N 1 2 289.339 1.377 20 30 CDEDLO C=C[C@H](CC)CC(=O)O[C@H](COC)C[N@@H+]1CCO[C@H](C)C1 ZINC001343759711 964133910 /nfs/dbraw/zinc/13/39/10/964133910.db2.gz GGCFQZARNAWLFF-KFWWJZLASA-N 1 2 299.411 1.868 20 30 CDEDLO C=C[C@H](CC)CC(=O)O[C@H](COC)C[N@H+]1CCO[C@H](C)C1 ZINC001343759711 964133915 /nfs/dbraw/zinc/13/39/15/964133915.db2.gz GGCFQZARNAWLFF-KFWWJZLASA-N 1 2 299.411 1.868 20 30 CDEDLO N#CC1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCC1 ZINC001557066032 965139993 /nfs/dbraw/zinc/13/99/93/965139993.db2.gz DVOJLJABAURCKE-NSHDSACASA-N 1 2 258.325 1.256 20 30 CDEDLO C[C@@H](C#N)C(=O)NC1C[NH+](Cc2cccc3c2CCOC3)C1 ZINC001443464362 965481472 /nfs/dbraw/zinc/48/14/72/965481472.db2.gz QOMLFEGPNFGEIZ-LBPRGKRZSA-N 1 2 299.374 1.219 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCOC ZINC001446286977 966506113 /nfs/dbraw/zinc/50/61/13/966506113.db2.gz JWEABMVLGHEOQD-OLZOCXBDSA-N 1 2 286.803 1.841 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCOC ZINC001446286977 966506115 /nfs/dbraw/zinc/50/61/15/966506115.db2.gz JWEABMVLGHEOQD-OLZOCXBDSA-N 1 2 286.803 1.841 20 30 CDEDLO Cc1cnc(C[NH2+]C2(CNC(=O)[C@@H](C)C#N)CCC2)o1 ZINC001447184595 966717698 /nfs/dbraw/zinc/71/76/98/966717698.db2.gz XHDPEYILCTWXKZ-JTQLQIEISA-N 1 2 276.340 1.271 20 30 CDEDLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccc(C#N)cc1 ZINC001543512424 967303958 /nfs/dbraw/zinc/30/39/58/967303958.db2.gz GJUOLCGITCOSNC-SNVBAGLBSA-N 1 2 254.293 1.701 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1nccc(C)n1 ZINC001372685338 973081791 /nfs/dbraw/zinc/08/17/91/973081791.db2.gz URXRIOWATMGZLG-LBPRGKRZSA-N 1 2 289.383 1.273 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1nccc(C)n1 ZINC001372685338 973081803 /nfs/dbraw/zinc/08/18/03/973081803.db2.gz URXRIOWATMGZLG-LBPRGKRZSA-N 1 2 289.383 1.273 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@@H](C)COC)C1 ZINC001373543550 973485019 /nfs/dbraw/zinc/48/50/19/973485019.db2.gz KKPLRWFBEWTHJB-SNVBAGLBSA-N 1 2 274.792 1.460 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1oncc1C ZINC001506032837 975094003 /nfs/dbraw/zinc/09/40/03/975094003.db2.gz YBUCEAQHQBMXFR-SNVBAGLBSA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1oncc1C ZINC001506032837 975094010 /nfs/dbraw/zinc/09/40/10/975094010.db2.gz YBUCEAQHQBMXFR-SNVBAGLBSA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](O)C(C)C)C1 ZINC001378207264 975285983 /nfs/dbraw/zinc/28/59/83/975285983.db2.gz YNULHIZUYUPTPG-CHWSQXEVSA-N 1 2 288.819 1.679 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](O)C(C)C)C1 ZINC001378207264 975285987 /nfs/dbraw/zinc/28/59/87/975285987.db2.gz YNULHIZUYUPTPG-CHWSQXEVSA-N 1 2 288.819 1.679 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCCn1cccn1 ZINC001379133238 975683328 /nfs/dbraw/zinc/68/33/28/975683328.db2.gz VQKICALKSAUIGC-UHFFFAOYSA-N 1 2 298.818 1.806 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCCn1cccn1 ZINC001379133238 975683331 /nfs/dbraw/zinc/68/33/31/975683331.db2.gz VQKICALKSAUIGC-UHFFFAOYSA-N 1 2 298.818 1.806 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(C)nnc1CC ZINC001399501909 976533889 /nfs/dbraw/zinc/53/38/89/976533889.db2.gz IDFHRVZBHDQQPZ-UHFFFAOYSA-N 1 2 296.802 1.762 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(C)nnc1CC ZINC001399501909 976533896 /nfs/dbraw/zinc/53/38/96/976533896.db2.gz IDFHRVZBHDQQPZ-UHFFFAOYSA-N 1 2 296.802 1.762 20 30 CDEDLO CCc1nocc1C[N@H+](CCNC(=O)[C@@H](C)C#N)C1CC1 ZINC001391152012 976730002 /nfs/dbraw/zinc/73/00/02/976730002.db2.gz AAZVXNSZJYAWNE-NSHDSACASA-N 1 2 290.367 1.477 20 30 CDEDLO CCc1nocc1C[N@@H+](CCNC(=O)[C@@H](C)C#N)C1CC1 ZINC001391152012 976730010 /nfs/dbraw/zinc/73/00/10/976730010.db2.gz AAZVXNSZJYAWNE-NSHDSACASA-N 1 2 290.367 1.477 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnn2c1CCC2 ZINC001403132378 976751443 /nfs/dbraw/zinc/75/14/43/976751443.db2.gz KHHYIKLITMZNSX-NSHDSACASA-N 1 2 296.802 1.632 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnn2c1CCC2 ZINC001403132378 976751451 /nfs/dbraw/zinc/75/14/51/976751451.db2.gz KHHYIKLITMZNSX-NSHDSACASA-N 1 2 296.802 1.632 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@H](C)C#N)[C@@H](C)c1nnc(C)[nH]1 ZINC001399935388 976758286 /nfs/dbraw/zinc/75/82/86/976758286.db2.gz AJBGTQPKHMDVHH-MNOVXSKESA-N 1 2 292.387 1.162 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@H](C)C#N)[C@@H](C)c1nnc(C)[nH]1 ZINC001399935388 976758294 /nfs/dbraw/zinc/75/82/94/976758294.db2.gz AJBGTQPKHMDVHH-MNOVXSKESA-N 1 2 292.387 1.162 20 30 CDEDLO C=C(Cl)CN1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001391563160 976962650 /nfs/dbraw/zinc/96/26/50/976962650.db2.gz OATXRLVISZQDFK-LBPRGKRZSA-N 1 2 282.775 1.216 20 30 CDEDLO Cc1cc(C[NH+]2CC(NC(=O)[C@@H](C)C#N)C2)c(C)s1 ZINC001400344317 976996464 /nfs/dbraw/zinc/99/64/64/976996464.db2.gz YTUCWSBDAOPIPG-VIFPVBQESA-N 1 2 277.393 1.825 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cncc(OC)n1 ZINC001392701756 977559196 /nfs/dbraw/zinc/55/91/96/977559196.db2.gz KQLLPYFMQLQWCR-JTQLQIEISA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cncc(OC)n1 ZINC001392701756 977559201 /nfs/dbraw/zinc/55/92/01/977559201.db2.gz KQLLPYFMQLQWCR-JTQLQIEISA-N 1 2 298.774 1.288 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170688550 1163746033 /nfs/dbraw/zinc/74/60/33/1163746033.db2.gz AEGWLPINCYPSEG-QWHCGFSZSA-N 1 2 277.318 1.619 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(C(=O)OC)c(F)c2)CC1 ZINC000089946945 1174118859 /nfs/dbraw/zinc/11/88/59/1174118859.db2.gz UPEVGXKEODSRJX-UHFFFAOYSA-N 1 2 290.338 1.363 20 30 CDEDLO COc1cc(C#N)ccc1OC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC001574012422 1170863477 /nfs/dbraw/zinc/86/34/77/1170863477.db2.gz KMYLSPOOQZTHLI-ABAIWWIYSA-N 1 2 290.319 1.239 20 30 CDEDLO CCN1CC[NH+]([C@@H](C)CNc2cc(C#N)cc(C)n2)CC1 ZINC000587210545 342474604 /nfs/dbraw/zinc/47/46/04/342474604.db2.gz NSFYPDRLSXTPHZ-AWEZNQCLSA-N 1 2 287.411 1.122 20 30 CDEDLO N#Cc1cccc(C(=O)N2CC[NH+](Cc3ccco3)CC2)n1 ZINC000589259785 342502069 /nfs/dbraw/zinc/50/20/69/342502069.db2.gz RBIRDKJGGJFOLR-UHFFFAOYSA-N 1 2 296.330 1.504 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000589300249 342502991 /nfs/dbraw/zinc/50/29/91/342502991.db2.gz LDFBLYPANQDXFW-UPJWGTAASA-N 1 2 265.353 1.748 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000589300249 342502992 /nfs/dbraw/zinc/50/29/92/342502992.db2.gz LDFBLYPANQDXFW-UPJWGTAASA-N 1 2 265.353 1.748 20 30 CDEDLO Cc1ccc(OCC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1C ZINC000589827808 342514866 /nfs/dbraw/zinc/51/48/66/342514866.db2.gz MEWMCFQSWWWWKD-INIZCTEOSA-N 1 2 289.379 1.642 20 30 CDEDLO O=C(N[C@@H]1CCSC1)N1CCn2cc[nH+]c2C1 ZINC000329689503 361764621 /nfs/dbraw/zinc/76/46/21/361764621.db2.gz CNYFWAWTGDQLAO-SECBINFHSA-N 1 2 252.343 1.118 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972392 342612358 /nfs/dbraw/zinc/61/23/58/342612358.db2.gz PPLDYLUFWIQCKV-NEPJUHHUSA-N 1 2 291.376 1.669 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972392 342612359 /nfs/dbraw/zinc/61/23/59/342612359.db2.gz PPLDYLUFWIQCKV-NEPJUHHUSA-N 1 2 291.376 1.669 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc[nH]3)CC2)cc1 ZINC000198296014 342621031 /nfs/dbraw/zinc/62/10/31/342621031.db2.gz YACBZZXBTYWGII-UHFFFAOYSA-N 1 2 294.358 1.844 20 30 CDEDLO CN(Cc1cccs1)C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592144639 342672992 /nfs/dbraw/zinc/67/29/92/342672992.db2.gz FXTAZLROMYIQHQ-CQSZACIVSA-N 1 2 293.392 1.057 20 30 CDEDLO CN(Cc1cccs1)C(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592144639 342672994 /nfs/dbraw/zinc/67/29/94/342672994.db2.gz FXTAZLROMYIQHQ-CQSZACIVSA-N 1 2 293.392 1.057 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)N2CCCc3ccccc32)C1 ZINC000592146665 342673921 /nfs/dbraw/zinc/67/39/21/342673921.db2.gz DYPGYTYGGLGTBK-KRWDZBQOSA-N 1 2 299.374 1.316 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)N2CCCc3ccccc32)C1 ZINC000592146665 342673922 /nfs/dbraw/zinc/67/39/22/342673922.db2.gz DYPGYTYGGLGTBK-KRWDZBQOSA-N 1 2 299.374 1.316 20 30 CDEDLO CC(C)(C)c1cnc(C[N@@H+]2CC[C@@](O)(CC#N)C2)o1 ZINC000592148424 342668308 /nfs/dbraw/zinc/66/83/08/342668308.db2.gz YIVBBEIVAHIGCR-AWEZNQCLSA-N 1 2 263.341 1.823 20 30 CDEDLO CC(C)(C)c1cnc(C[N@H+]2CC[C@@](O)(CC#N)C2)o1 ZINC000592148424 342668309 /nfs/dbraw/zinc/66/83/09/342668309.db2.gz YIVBBEIVAHIGCR-AWEZNQCLSA-N 1 2 263.341 1.823 20 30 CDEDLO N#CC1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCCC1 ZINC000592947169 342748895 /nfs/dbraw/zinc/74/88/95/342748895.db2.gz VZAWFANSMXCGKC-GFCCVEGCSA-N 1 2 272.352 1.788 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1Cc2ccccc21 ZINC000593154472 342774092 /nfs/dbraw/zinc/77/40/92/342774092.db2.gz UIXZROGIJXRGDT-UKRRQHHQSA-N 1 2 257.337 1.286 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNC(=O)C2(C#N)CCCCC2)CCO1 ZINC000347611257 529390702 /nfs/dbraw/zinc/39/07/02/529390702.db2.gz HHHNKNMKSWSROX-CQSZACIVSA-N 1 2 293.411 1.687 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)C2(C#N)CCCCC2)CCO1 ZINC000347611257 529390704 /nfs/dbraw/zinc/39/07/04/529390704.db2.gz HHHNKNMKSWSROX-CQSZACIVSA-N 1 2 293.411 1.687 20 30 CDEDLO CC[C@H](C#N)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000593394831 342794660 /nfs/dbraw/zinc/79/46/60/342794660.db2.gz TWPNNZVROVIKLB-CYBMUJFWSA-N 1 2 272.352 1.848 20 30 CDEDLO N#Cc1cccc2c1CN(c1nc[nH+]c3c1OCCN3)C2 ZINC000593519832 342806126 /nfs/dbraw/zinc/80/61/26/342806126.db2.gz HULXADSGQLHAPU-UHFFFAOYSA-N 1 2 279.303 1.673 20 30 CDEDLO N#Cc1cccc2c1CN(c1[nH+]cnc3c1OCCN3)C2 ZINC000593519832 342806127 /nfs/dbraw/zinc/80/61/27/342806127.db2.gz HULXADSGQLHAPU-UHFFFAOYSA-N 1 2 279.303 1.673 20 30 CDEDLO C[C@]12CCN(C([O-])=[NH+]CCn3cc[nH+]c3)C[C@H]1C2(F)F ZINC000330189473 539029970 /nfs/dbraw/zinc/02/99/70/539029970.db2.gz VIPNKBKLJXOYQJ-PWSUYJOCSA-N 1 2 284.310 1.774 20 30 CDEDLO C[C@]12CCN(C(=O)NCCn3cc[nH+]c3)C[C@H]1C2(F)F ZINC000330189473 539029971 /nfs/dbraw/zinc/02/99/71/539029971.db2.gz VIPNKBKLJXOYQJ-PWSUYJOCSA-N 1 2 284.310 1.774 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000594009470 342863197 /nfs/dbraw/zinc/86/31/97/342863197.db2.gz SHWWURYGSLWAQS-LBPRGKRZSA-N 1 2 266.366 1.742 20 30 CDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cn2)C[C@@H](C2CC2)O1 ZINC000593981307 342864265 /nfs/dbraw/zinc/86/42/65/342864265.db2.gz ZEGUORYQQQCTMO-NHYWBVRUSA-N 1 2 257.337 1.953 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)C[C@@H](C2CC2)O1 ZINC000593981307 342864266 /nfs/dbraw/zinc/86/42/66/342864266.db2.gz ZEGUORYQQQCTMO-NHYWBVRUSA-N 1 2 257.337 1.953 20 30 CDEDLO C[C@@H](C#N)NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000594255553 342885091 /nfs/dbraw/zinc/88/50/91/342885091.db2.gz ONYKPJSZLNQMPW-JGVFFNPUSA-N 1 2 274.246 1.484 20 30 CDEDLO C=CCCSCCNC(=O)NCCCn1cc[nH+]c1 ZINC000594687030 342941564 /nfs/dbraw/zinc/94/15/64/342941564.db2.gz PYWOEOGHMOCAPA-UHFFFAOYSA-N 1 2 282.413 1.882 20 30 CDEDLO CC[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000332501236 529604002 /nfs/dbraw/zinc/60/40/02/529604002.db2.gz WRKSVZLSSYSSQJ-CHWSQXEVSA-N 1 2 279.384 1.438 20 30 CDEDLO CC[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000332501236 529604004 /nfs/dbraw/zinc/60/40/04/529604004.db2.gz WRKSVZLSSYSSQJ-CHWSQXEVSA-N 1 2 279.384 1.438 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H](C)CC1CCC1)C(=O)OC ZINC000619509443 349780721 /nfs/dbraw/zinc/78/07/21/349780721.db2.gz RUCJLCKWRDMYED-AAEUAGOBSA-N 1 2 255.358 1.899 20 30 CDEDLO C[N@H+](CC(=O)N1CCCC1)Cc1ccc(C#N)c(F)c1 ZINC000404194034 349768509 /nfs/dbraw/zinc/76/85/09/349768509.db2.gz FVZDJUTUNHLBPI-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO C[N@@H+](CC(=O)N1CCCC1)Cc1ccc(C#N)c(F)c1 ZINC000404194034 349768512 /nfs/dbraw/zinc/76/85/12/349768512.db2.gz FVZDJUTUNHLBPI-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO CC(C)[C@@H](C#N)N1CCN(Cc2cn(C)c[nH+]2)CC1 ZINC000595399797 343048836 /nfs/dbraw/zinc/04/88/36/343048836.db2.gz XRYSTISQRPKFQC-CQSZACIVSA-N 1 2 261.373 1.086 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000595402378 343048997 /nfs/dbraw/zinc/04/89/97/343048997.db2.gz YAQKXSHAINXZFD-AWEZNQCLSA-N 1 2 295.346 1.519 20 30 CDEDLO COC(=O)[C@H]([NH2+]CCc1ccc(C#N)cc1)C(C)C ZINC000595433062 343059500 /nfs/dbraw/zinc/05/95/00/343059500.db2.gz UVAOLYYDVGZEAI-CQSZACIVSA-N 1 2 260.337 1.888 20 30 CDEDLO CC(C)(C)CNC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000599367036 344027352 /nfs/dbraw/zinc/02/73/52/344027352.db2.gz TYZPYILYVXRNGX-UHFFFAOYSA-N 1 2 251.374 1.774 20 30 CDEDLO Cn1c[nH+]c(CN2CCN(c3cnccc3C#N)CC2)c1 ZINC000595501196 343078545 /nfs/dbraw/zinc/07/85/45/343078545.db2.gz JTHHMZRHESYKRR-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO C=C(Cl)CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000076978266 342326180 /nfs/dbraw/zinc/32/61/80/342326180.db2.gz HZMYOHNKYPASIW-MNOVXSKESA-N 1 2 275.780 1.147 20 30 CDEDLO CN1CC[N@H+](Cc2ccc(F)c(C#N)c2)CCC1=O ZINC000595782145 343154569 /nfs/dbraw/zinc/15/45/69/343154569.db2.gz KEEIDJPUINRZRU-UHFFFAOYSA-N 1 2 261.300 1.361 20 30 CDEDLO CN1CC[N@@H+](Cc2ccc(F)c(C#N)c2)CCC1=O ZINC000595782145 343154571 /nfs/dbraw/zinc/15/45/71/343154571.db2.gz KEEIDJPUINRZRU-UHFFFAOYSA-N 1 2 261.300 1.361 20 30 CDEDLO CCc1nc(C#N)cc(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC000596097052 343235418 /nfs/dbraw/zinc/23/54/18/343235418.db2.gz DJKKIMWQSNAIIR-UHFFFAOYSA-N 1 2 282.351 1.949 20 30 CDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(C2CCCC2)c1=O ZINC000596287715 343288745 /nfs/dbraw/zinc/28/87/45/343288745.db2.gz YRFZKNQETMDURK-UHFFFAOYSA-N 1 2 287.363 1.667 20 30 CDEDLO Cc1ccc(C#N)nc1NCC1([NH+]2CCOCC2)CC1 ZINC000596211380 343267787 /nfs/dbraw/zinc/26/77/87/343267787.db2.gz RJNKJXAPSLPKJD-UHFFFAOYSA-N 1 2 272.352 1.538 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCCF)CC2)cc1 ZINC000596657923 343364537 /nfs/dbraw/zinc/36/45/37/343364537.db2.gz CYWBOHFSKWQRSU-UHFFFAOYSA-N 1 2 289.354 1.952 20 30 CDEDLO N#Cc1cccnc1N1CC[NH+](Cc2cccnc2N)CC1 ZINC000289276417 136399654 /nfs/dbraw/zinc/39/96/54/136399654.db2.gz FPUDOXXDQISIJE-UHFFFAOYSA-N 1 2 294.362 1.253 20 30 CDEDLO CC[C@@H](C#N)C(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000597847215 343652651 /nfs/dbraw/zinc/65/26/51/343652651.db2.gz ORUOUXKKRXKYLF-WDEREUQCSA-N 1 2 278.356 1.146 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCc3cnc(N)nc3C2)cc1 ZINC000598948516 343933002 /nfs/dbraw/zinc/93/30/02/343933002.db2.gz GQLFMQPKLMRGCG-UHFFFAOYSA-N 1 2 265.320 1.319 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCc3cnc(N)nc3C2)cc1 ZINC000598948516 343933004 /nfs/dbraw/zinc/93/30/04/343933004.db2.gz GQLFMQPKLMRGCG-UHFFFAOYSA-N 1 2 265.320 1.319 20 30 CDEDLO N#Cc1cccc(F)c1CC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000599952401 344156566 /nfs/dbraw/zinc/15/65/66/344156566.db2.gz NFBZHODLVNTEPM-UHFFFAOYSA-N 1 2 284.294 1.548 20 30 CDEDLO N#Cc1cccc(F)c1CC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000599952401 344156569 /nfs/dbraw/zinc/15/65/69/344156569.db2.gz NFBZHODLVNTEPM-UHFFFAOYSA-N 1 2 284.294 1.548 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601727701 344238849 /nfs/dbraw/zinc/23/88/49/344238849.db2.gz IARSJQDKCDAQCW-CQSZACIVSA-N 1 2 287.363 1.586 20 30 CDEDLO Cn1nc(C[NH+]2CCN(CCC#N)CC2)c2ccccc21 ZINC000602748664 344562648 /nfs/dbraw/zinc/56/26/48/344562648.db2.gz PEDBWFDHTNDZGO-UHFFFAOYSA-N 1 2 283.379 1.605 20 30 CDEDLO C[C@@]1(C#N)CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000612157775 347061642 /nfs/dbraw/zinc/06/16/42/347061642.db2.gz CGMMCQXWINGZTJ-WBVHZDCISA-N 1 2 299.374 1.924 20 30 CDEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000612157775 347061644 /nfs/dbraw/zinc/06/16/44/347061644.db2.gz CGMMCQXWINGZTJ-WBVHZDCISA-N 1 2 299.374 1.924 20 30 CDEDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)c1ccc(C#N)s1 ZINC000230340038 362464479 /nfs/dbraw/zinc/46/44/79/362464479.db2.gz FDSQKBYXVCWXNI-UHFFFAOYSA-N 1 2 296.377 1.174 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000602861648 344617352 /nfs/dbraw/zinc/61/73/52/344617352.db2.gz GWNJJPCABLRURU-NEPJUHHUSA-N 1 2 277.343 1.765 20 30 CDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC1(CC#N)CC1 ZINC000602789192 344600933 /nfs/dbraw/zinc/60/09/33/344600933.db2.gz SOCCIAXRFOHBDU-ZDUSSCGKSA-N 1 2 296.378 1.553 20 30 CDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CC1(CC#N)CC1 ZINC000602789192 344600936 /nfs/dbraw/zinc/60/09/36/344600936.db2.gz SOCCIAXRFOHBDU-ZDUSSCGKSA-N 1 2 296.378 1.553 20 30 CDEDLO Cc1ccc(CNC(=O)C[NH2+][C@@H](C)CC#N)cc1F ZINC000602866237 344638836 /nfs/dbraw/zinc/63/88/36/344638836.db2.gz ZFUQFHPAEZDNKJ-NSHDSACASA-N 1 2 263.316 1.642 20 30 CDEDLO Cc1nc(NC(=O)[C@H](C)[NH2+][C@H](C)CC#N)sc1C ZINC000602868195 344639385 /nfs/dbraw/zinc/63/93/85/344639385.db2.gz HTNUCBSESUXPCY-APPZFPTMSA-N 1 2 266.370 1.979 20 30 CDEDLO CCOC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)CC#N)cc1 ZINC000602869761 344640522 /nfs/dbraw/zinc/64/05/22/344640522.db2.gz OMQJMKKEYPZNQV-NSHDSACASA-N 1 2 289.335 1.694 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000602870422 344640992 /nfs/dbraw/zinc/64/09/92/344640992.db2.gz SZVRDHPOVRMOIJ-ZWNOBZJWSA-N 1 2 288.307 1.592 20 30 CDEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@H+](CC2(CC#N)CC2)C1 ZINC000602917036 344649073 /nfs/dbraw/zinc/64/90/73/344649073.db2.gz QEUNFTMZPFBYHH-VXGBXAGGSA-N 1 2 294.351 1.107 20 30 CDEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@@H+](CC2(CC#N)CC2)C1 ZINC000602917036 344649076 /nfs/dbraw/zinc/64/90/76/344649076.db2.gz QEUNFTMZPFBYHH-VXGBXAGGSA-N 1 2 294.351 1.107 20 30 CDEDLO COCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612166137 347067500 /nfs/dbraw/zinc/06/75/00/347067500.db2.gz AXURZGRSNCMKPF-TZMCWYRMSA-N 1 2 267.373 1.153 20 30 CDEDLO COCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612166137 347067501 /nfs/dbraw/zinc/06/75/01/347067501.db2.gz AXURZGRSNCMKPF-TZMCWYRMSA-N 1 2 267.373 1.153 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)c1cccc(CC#N)c1 ZINC000049603060 344816856 /nfs/dbraw/zinc/81/68/56/344816856.db2.gz LCGVSSJBBOGHTJ-UHFFFAOYSA-N 1 2 268.320 1.758 20 30 CDEDLO CCN(CC)C(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609484937 344914967 /nfs/dbraw/zinc/91/49/67/344914967.db2.gz RCOGRAOERRWAAC-HUUCEWRRSA-N 1 2 294.443 1.409 20 30 CDEDLO N#Cc1ccc(-n2c[nH+]c(CCCO)c2)c([N+](=O)[O-])c1 ZINC000609494805 345050383 /nfs/dbraw/zinc/05/03/83/345050383.db2.gz WNEZDJLLCSCVAI-UHFFFAOYSA-N 1 2 272.264 1.577 20 30 CDEDLO C=CCC1(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)CCC1 ZINC000617725895 345930726 /nfs/dbraw/zinc/93/07/26/345930726.db2.gz QGRHFEKTLPJILK-KBPBESRZSA-N 1 2 280.412 1.958 20 30 CDEDLO C=CCC1(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)CCC1 ZINC000617725895 345930727 /nfs/dbraw/zinc/93/07/27/345930727.db2.gz QGRHFEKTLPJILK-KBPBESRZSA-N 1 2 280.412 1.958 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000610676570 346349244 /nfs/dbraw/zinc/34/92/44/346349244.db2.gz VYADJGSZRGHUCU-BXKDBHETSA-N 1 2 279.290 1.962 20 30 CDEDLO COCCN(CCC#N)C(=O)Nc1cc[nH+]cc1C ZINC000121874675 346584447 /nfs/dbraw/zinc/58/44/47/346584447.db2.gz RPXHNDXTXBYCGX-UHFFFAOYSA-N 1 2 262.313 1.784 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000611174501 346627993 /nfs/dbraw/zinc/62/79/93/346627993.db2.gz KFMLJYYVUVTYQU-UHFFFAOYSA-N 1 2 265.307 1.996 20 30 CDEDLO Cn1c[nH+]c2cc(Nc3ccc(C#N)nn3)ccc21 ZINC000611241441 346712291 /nfs/dbraw/zinc/71/22/91/346712291.db2.gz XAIUNKUTMRCFAU-UHFFFAOYSA-N 1 2 250.265 1.400 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N(C)Cc1[nH]cc[nH+]1 ZINC000611191057 346685597 /nfs/dbraw/zinc/68/55/97/346685597.db2.gz CVOYDGSGTXKXDE-CQSZACIVSA-N 1 2 284.319 1.627 20 30 CDEDLO CN(CC(=O)Nc1cccc(C#N)c1)Cc1[nH]cc[nH+]1 ZINC000611191125 346685842 /nfs/dbraw/zinc/68/58/42/346685842.db2.gz OWGOYVMTMRTORC-UHFFFAOYSA-N 1 2 269.308 1.352 20 30 CDEDLO Cc1ccc(C#N)c(NCC[N@H+]2CCOC[C@@H]2C)n1 ZINC000611227425 346691228 /nfs/dbraw/zinc/69/12/28/346691228.db2.gz KOLVODVMIUBFBH-LBPRGKRZSA-N 1 2 260.341 1.394 20 30 CDEDLO Cc1ccc(C#N)c(NCC[N@@H+]2CCOC[C@@H]2C)n1 ZINC000611227425 346691230 /nfs/dbraw/zinc/69/12/30/346691230.db2.gz KOLVODVMIUBFBH-LBPRGKRZSA-N 1 2 260.341 1.394 20 30 CDEDLO N#CC1(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)CC1 ZINC000611430012 346787161 /nfs/dbraw/zinc/78/71/61/346787161.db2.gz WQAADCXVKLDHQK-ZDUSSCGKSA-N 1 2 273.336 1.664 20 30 CDEDLO N#CC1(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)CC1 ZINC000611430012 346787165 /nfs/dbraw/zinc/78/71/65/346787165.db2.gz WQAADCXVKLDHQK-ZDUSSCGKSA-N 1 2 273.336 1.664 20 30 CDEDLO C[C@]1(C#N)CCCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000612369955 347135160 /nfs/dbraw/zinc/13/51/60/347135160.db2.gz XEKIRIOXEMCFTN-OAHLLOKOSA-N 1 2 296.334 1.428 20 30 CDEDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc(C#N)cn2)c1 ZINC000612346459 347124328 /nfs/dbraw/zinc/12/43/28/347124328.db2.gz UCBDAZVAPULDHB-UHFFFAOYSA-N 1 2 267.292 1.667 20 30 CDEDLO CN(C)c1nc(NCCCC#N)[nH+]c2ccccc21 ZINC000450432826 362824380 /nfs/dbraw/zinc/82/43/80/362824380.db2.gz BTQWOIQCXNALNA-UHFFFAOYSA-N 1 2 255.325 1.833 20 30 CDEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)c2cnccn2)CC1 ZINC000613450169 347735830 /nfs/dbraw/zinc/73/58/30/347735830.db2.gz RKDZAOBHUQRCBY-HIFRSBDPSA-N 1 2 273.384 1.703 20 30 CDEDLO C=C[C@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)C)C(=O)OC ZINC000619702134 347893694 /nfs/dbraw/zinc/89/36/94/347893694.db2.gz GWXRZAJUPUIJEZ-FRRDWIJNSA-N 1 2 255.358 1.755 20 30 CDEDLO C=C[C@](C)(O)C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000614139077 348012671 /nfs/dbraw/zinc/01/26/71/348012671.db2.gz MEEMGLBSRZBDHP-AWEZNQCLSA-N 1 2 274.324 1.504 20 30 CDEDLO C[C@@]1(C#N)CCCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000614491632 348126656 /nfs/dbraw/zinc/12/66/56/348126656.db2.gz JFPYVDWHDJXILX-WFASDCNBSA-N 1 2 287.367 1.533 20 30 CDEDLO CC[N@@H+](CC(=O)N1C[C@H](C)C[C@@H](C)C1)C[C@H](C)C#N ZINC000064248811 348937121 /nfs/dbraw/zinc/93/71/21/348937121.db2.gz DFYIIWPJGRPTRP-MGPQQGTHSA-N 1 2 265.401 1.972 20 30 CDEDLO CC[N@H+](CC(=O)N1C[C@H](C)C[C@@H](C)C1)C[C@H](C)C#N ZINC000064248811 348937123 /nfs/dbraw/zinc/93/71/23/348937123.db2.gz DFYIIWPJGRPTRP-MGPQQGTHSA-N 1 2 265.401 1.972 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)NC1(C#N)CCC1 ZINC000063476825 348924658 /nfs/dbraw/zinc/92/46/58/348924658.db2.gz XGVFEOGMPRUGNO-UHFFFAOYSA-N 1 2 268.320 1.907 20 30 CDEDLO CC[N@@H+](CC(=O)NC(C1CC1)C1CC1)C[C@H](C)C#N ZINC000066424132 348984880 /nfs/dbraw/zinc/98/48/80/348984880.db2.gz YNPIETPJGYUNQL-LLVKDONJSA-N 1 2 263.385 1.773 20 30 CDEDLO CC[N@H+](CC(=O)NC(C1CC1)C1CC1)C[C@H](C)C#N ZINC000066424132 348984883 /nfs/dbraw/zinc/98/48/83/348984883.db2.gz YNPIETPJGYUNQL-LLVKDONJSA-N 1 2 263.385 1.773 20 30 CDEDLO C[C@@H]1C[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H](C)S1 ZINC000072771883 349131550 /nfs/dbraw/zinc/13/15/50/349131550.db2.gz ZXNUMSOTJXHNLI-GYSYKLTISA-N 1 2 289.404 1.910 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2cccc(C#N)n2)[C@H](C(N)=O)C1 ZINC000602626497 350133596 /nfs/dbraw/zinc/13/35/96/350133596.db2.gz ZERVMHVUBXBVQB-MFKMUULPSA-N 1 2 258.325 1.039 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2cccc(C#N)n2)[C@H](C(N)=O)C1 ZINC000602626497 350133601 /nfs/dbraw/zinc/13/36/01/350133601.db2.gz ZERVMHVUBXBVQB-MFKMUULPSA-N 1 2 258.325 1.039 20 30 CDEDLO COC(=O)[C@H](C)[N@H+](Cc1cccc(C#N)n1)C1CCC1 ZINC000602633365 350134300 /nfs/dbraw/zinc/13/43/00/350134300.db2.gz KOPHVMPJHFRKFW-NSHDSACASA-N 1 2 273.336 1.869 20 30 CDEDLO COC(=O)[C@H](C)[N@@H+](Cc1cccc(C#N)n1)C1CCC1 ZINC000602633365 350134303 /nfs/dbraw/zinc/13/43/03/350134303.db2.gz KOPHVMPJHFRKFW-NSHDSACASA-N 1 2 273.336 1.869 20 30 CDEDLO CC(C)[C@H]([NH2+]Cc1cccc(C#N)n1)c1nncn1C ZINC000602648975 350135783 /nfs/dbraw/zinc/13/57/83/350135783.db2.gz FZYDPNMDVNFHGF-ZDUSSCGKSA-N 1 2 270.340 1.569 20 30 CDEDLO Cc1nnc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c(C#N)c1C ZINC000104659747 186011148 /nfs/dbraw/zinc/01/11/48/186011148.db2.gz BDCSBGPCOKUTKZ-STQMWFEESA-N 1 2 289.383 1.486 20 30 CDEDLO Cn1ccnc1[C@H]([NH2+]Cc1cccc(C#N)n1)C(C)(C)CO ZINC000602679410 350140728 /nfs/dbraw/zinc/14/07/28/350140728.db2.gz KCIJQKYTYAGBSN-AWEZNQCLSA-N 1 2 299.378 1.536 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000152518984 188025581 /nfs/dbraw/zinc/02/55/81/188025581.db2.gz JDJZQCLGASUSPF-HNNXBMFYSA-N 1 2 287.363 1.538 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000152518984 188025582 /nfs/dbraw/zinc/02/55/82/188025582.db2.gz JDJZQCLGASUSPF-HNNXBMFYSA-N 1 2 287.363 1.538 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000152573506 188029574 /nfs/dbraw/zinc/02/95/74/188029574.db2.gz UYASQKMPIAEZDP-HNNXBMFYSA-N 1 2 287.363 1.538 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000152573506 188029576 /nfs/dbraw/zinc/02/95/76/188029576.db2.gz UYASQKMPIAEZDP-HNNXBMFYSA-N 1 2 287.363 1.538 20 30 CDEDLO Cc1nnc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1C ZINC000292334622 198248933 /nfs/dbraw/zinc/24/89/33/198248933.db2.gz WNQVZOQXJKSTCF-ZDUSSCGKSA-N 1 2 298.350 1.044 20 30 CDEDLO Cc1nnc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1C ZINC000292334622 198248935 /nfs/dbraw/zinc/24/89/35/198248935.db2.gz WNQVZOQXJKSTCF-ZDUSSCGKSA-N 1 2 298.350 1.044 20 30 CDEDLO C=CCc1cc(C[NH+]2CCOCC2)cc(OC)c1O ZINC000154529466 188147640 /nfs/dbraw/zinc/14/76/40/188147640.db2.gz UENSMLVPVPHMDS-UHFFFAOYSA-N 1 2 263.337 1.962 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCc2cccc(F)c2C1 ZINC000157891152 188344842 /nfs/dbraw/zinc/34/48/42/188344842.db2.gz WUYSBYSKBVSLIX-NSHDSACASA-N 1 2 262.328 1.875 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCc2cccc(F)c2C1 ZINC000157891152 188344844 /nfs/dbraw/zinc/34/48/44/188344844.db2.gz WUYSBYSKBVSLIX-NSHDSACASA-N 1 2 262.328 1.875 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1[nH+]ccn1C ZINC000161968311 188553771 /nfs/dbraw/zinc/55/37/71/188553771.db2.gz KUMXFZWWVJVPDF-LBPRGKRZSA-N 1 2 297.362 1.751 20 30 CDEDLO CC(C)OC[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCO1 ZINC000365353222 363347723 /nfs/dbraw/zinc/34/77/23/363347723.db2.gz CCHZGBZNQDWHAP-HNNXBMFYSA-N 1 2 277.368 1.523 20 30 CDEDLO CC(C)OC[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CCO1 ZINC000365353222 363347729 /nfs/dbraw/zinc/34/77/29/363347729.db2.gz CCHZGBZNQDWHAP-HNNXBMFYSA-N 1 2 277.368 1.523 20 30 CDEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccnc(C#N)c3)n2)C1 ZINC000280158690 363412985 /nfs/dbraw/zinc/41/29/85/363412985.db2.gz AWUIROZYXZKASW-ZDUSSCGKSA-N 1 2 299.334 1.785 20 30 CDEDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccnc(C#N)c3)n2)C1 ZINC000280158690 363412986 /nfs/dbraw/zinc/41/29/86/363412986.db2.gz AWUIROZYXZKASW-ZDUSSCGKSA-N 1 2 299.334 1.785 20 30 CDEDLO C=C1CC[NH+](Cc2cn(Cc3cccnc3)nn2)CC1 ZINC000273559956 192203541 /nfs/dbraw/zinc/20/35/41/192203541.db2.gz WCNSKCWYQFRWPO-UHFFFAOYSA-N 1 2 269.352 1.873 20 30 CDEDLO Cc1cc(C)c(C#N)c(N[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000048336743 356789681 /nfs/dbraw/zinc/78/96/81/356789681.db2.gz YNACJLLOFUDKAN-ZDUSSCGKSA-N 1 2 274.368 1.703 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2noc3c2CCCC3)CC1 ZINC000299296699 357010292 /nfs/dbraw/zinc/01/02/92/357010292.db2.gz DHKLMCMGHCLRER-UHFFFAOYSA-N 1 2 287.363 1.335 20 30 CDEDLO CC#CCON=C(N)c1cccc(C[NH+]2CCOCC2)c1 ZINC000180624644 357279124 /nfs/dbraw/zinc/27/91/24/357279124.db2.gz AEUFZILLEVVOLQ-UHFFFAOYSA-N 1 2 287.363 1.179 20 30 CDEDLO CCN(C)C(=C(O)NC1=[NH+]CCS1)c1ccccc1 ZINC000057894468 357369233 /nfs/dbraw/zinc/36/92/33/357369233.db2.gz HWUPAVSHXHKPCR-LBPRGKRZSA-N 1 2 277.393 1.898 20 30 CDEDLO COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C(C)C)cc1C#N ZINC000135064598 357369592 /nfs/dbraw/zinc/36/95/92/357369592.db2.gz QAJNPPBURPBKJY-HNNXBMFYSA-N 1 2 287.363 1.523 20 30 CDEDLO COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2C(C)C)cc1C#N ZINC000135064598 357369595 /nfs/dbraw/zinc/36/95/95/357369595.db2.gz QAJNPPBURPBKJY-HNNXBMFYSA-N 1 2 287.363 1.523 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)C1 ZINC000334328945 357567542 /nfs/dbraw/zinc/56/75/42/357567542.db2.gz IRTAWSSMZRIHIS-CQSZACIVSA-N 1 2 280.331 1.921 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCC[C@@](F)(CO)C2)c1F ZINC000334307339 357564654 /nfs/dbraw/zinc/56/46/54/357564654.db2.gz DIFDMMNVKUUXHN-AWEZNQCLSA-N 1 2 266.291 1.994 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@](F)(CO)C2)c1F ZINC000334307339 357564656 /nfs/dbraw/zinc/56/46/56/357564656.db2.gz DIFDMMNVKUUXHN-AWEZNQCLSA-N 1 2 266.291 1.994 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](F)C1 ZINC000334813488 357640180 /nfs/dbraw/zinc/64/01/80/357640180.db2.gz SNWNCGJLKHIQIA-JQWIXIFHSA-N 1 2 261.300 1.929 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](F)C1 ZINC000334813488 357640182 /nfs/dbraw/zinc/64/01/82/357640182.db2.gz SNWNCGJLKHIQIA-JQWIXIFHSA-N 1 2 261.300 1.929 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000186719605 357678551 /nfs/dbraw/zinc/67/85/51/357678551.db2.gz XJQYSSRSWAJJDU-GFCCVEGCSA-N 1 2 293.392 1.196 20 30 CDEDLO N#CCCCC[C@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000594436150 358623962 /nfs/dbraw/zinc/62/39/62/358623962.db2.gz MFKGUKBSXZDSHH-JTQLQIEISA-N 1 2 292.295 1.650 20 30 CDEDLO C[C@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000567088968 358626114 /nfs/dbraw/zinc/62/61/14/358626114.db2.gz DVDQBVBZROHVHX-RYUDHWBXSA-N 1 2 268.324 1.632 20 30 CDEDLO CO[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000234867908 358796734 /nfs/dbraw/zinc/79/67/34/358796734.db2.gz LOHPJFSNKNFCFZ-ZDUSSCGKSA-N 1 2 294.376 1.053 20 30 CDEDLO CO[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000234867908 358796739 /nfs/dbraw/zinc/79/67/39/358796739.db2.gz LOHPJFSNKNFCFZ-ZDUSSCGKSA-N 1 2 294.376 1.053 20 30 CDEDLO C=CC[N@@H+](C[C@H](O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000264576134 359310989 /nfs/dbraw/zinc/31/09/89/359310989.db2.gz UDQGXOPJHQEZNX-CABCVRRESA-N 1 2 295.404 1.395 20 30 CDEDLO C=CC[N@H+](C[C@H](O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000264576134 359310993 /nfs/dbraw/zinc/31/09/93/359310993.db2.gz UDQGXOPJHQEZNX-CABCVRRESA-N 1 2 295.404 1.395 20 30 CDEDLO C#CCC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265595576 359332197 /nfs/dbraw/zinc/33/21/97/359332197.db2.gz YWTMPCWLNJTLAW-UHFFFAOYSA-N 1 2 294.742 1.789 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000265787098 359334569 /nfs/dbraw/zinc/33/45/69/359334569.db2.gz SLYJZQOGKIFNLW-STQMWFEESA-N 1 2 265.357 1.617 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+](CCCCC)CC(N)=O ZINC000272520803 359460731 /nfs/dbraw/zinc/46/07/31/359460731.db2.gz HIKNJQPNKSMYRS-UHFFFAOYSA-N 1 2 281.400 1.165 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+](CCCCC)CC(N)=O ZINC000272520803 359460737 /nfs/dbraw/zinc/46/07/37/359460737.db2.gz HIKNJQPNKSMYRS-UHFFFAOYSA-N 1 2 281.400 1.165 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)NCC=C)n1 ZINC000279648618 359591703 /nfs/dbraw/zinc/59/17/03/359591703.db2.gz BALIPABFYQDESF-ZDUSSCGKSA-N 1 2 274.368 1.029 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)NCC=C)n1 ZINC000279648618 359591705 /nfs/dbraw/zinc/59/17/05/359591705.db2.gz BALIPABFYQDESF-ZDUSSCGKSA-N 1 2 274.368 1.029 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)[C@H]2CCN(C(C)C)C2=O)n1 ZINC000279794137 359594369 /nfs/dbraw/zinc/59/43/69/359594369.db2.gz VWOZEMZMPQTMMA-HNNXBMFYSA-N 1 2 288.395 1.348 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)[C@H]2CCN(C(C)C)C2=O)n1 ZINC000279794137 359594375 /nfs/dbraw/zinc/59/43/75/359594375.db2.gz VWOZEMZMPQTMMA-HNNXBMFYSA-N 1 2 288.395 1.348 20 30 CDEDLO C#CC[N@H+](CC)CCS(=O)(=O)Cc1ccccc1 ZINC000279712172 359595241 /nfs/dbraw/zinc/59/52/41/359595241.db2.gz LFVXHAQEMNASEZ-UHFFFAOYSA-N 1 2 265.378 1.557 20 30 CDEDLO C#CC[N@@H+](CC)CCS(=O)(=O)Cc1ccccc1 ZINC000279712172 359595245 /nfs/dbraw/zinc/59/52/45/359595245.db2.gz LFVXHAQEMNASEZ-UHFFFAOYSA-N 1 2 265.378 1.557 20 30 CDEDLO C=CC[N@H+](C)CCS(=O)(=O)Cc1ccccc1 ZINC000279802819 359596244 /nfs/dbraw/zinc/59/62/44/359596244.db2.gz WMZISHWJUIKAIR-UHFFFAOYSA-N 1 2 253.367 1.719 20 30 CDEDLO C=CC[N@@H+](C)CCS(=O)(=O)Cc1ccccc1 ZINC000279802819 359596250 /nfs/dbraw/zinc/59/62/50/359596250.db2.gz WMZISHWJUIKAIR-UHFFFAOYSA-N 1 2 253.367 1.719 20 30 CDEDLO Cc1noc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)n1 ZINC000348069351 359772125 /nfs/dbraw/zinc/77/21/25/359772125.db2.gz BYMOZMDLTBBUDH-NOZJJQNGSA-N 1 2 279.344 1.083 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)c2ccc(CC#N)cc2)CCO1 ZINC000533962156 359775710 /nfs/dbraw/zinc/77/57/10/359775710.db2.gz CPDWZLHMCXMMAI-ZDUSSCGKSA-N 1 2 287.363 1.203 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc(CC#N)cc2)CCO1 ZINC000533962156 359775715 /nfs/dbraw/zinc/77/57/15/359775715.db2.gz CPDWZLHMCXMMAI-ZDUSSCGKSA-N 1 2 287.363 1.203 20 30 CDEDLO C=CC1CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000111858416 359926275 /nfs/dbraw/zinc/92/62/75/359926275.db2.gz FCDBOVJRCJXJPX-KBPBESRZSA-N 1 2 295.427 1.703 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)NC(CC)CC)C1=O ZINC000337220902 360035569 /nfs/dbraw/zinc/03/55/69/360035569.db2.gz KWIXGDDVDDSYJT-JSGCOSHPSA-N 1 2 295.427 1.398 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)NC(CC)CC)C1=O ZINC000337220902 360035577 /nfs/dbraw/zinc/03/55/77/360035577.db2.gz KWIXGDDVDDSYJT-JSGCOSHPSA-N 1 2 295.427 1.398 20 30 CDEDLO CCCC[C@@H](C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000337455498 360146286 /nfs/dbraw/zinc/14/62/86/360146286.db2.gz WODCYAPMQZLOCP-OAHLLOKOSA-N 1 2 295.427 1.887 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCCCNC1=O ZINC000298263687 200376537 /nfs/dbraw/zinc/37/65/37/200376537.db2.gz VYJRSPKILDCTAW-OAHLLOKOSA-N 1 2 274.339 1.930 20 30 CDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H]1CCCCNC1=O ZINC000298263687 200376538 /nfs/dbraw/zinc/37/65/38/200376538.db2.gz VYJRSPKILDCTAW-OAHLLOKOSA-N 1 2 274.339 1.930 20 30 CDEDLO C=CCOCC(=O)N1CC[NH2+][C@H](c2ccccc2OC)C1 ZINC000337583004 360261141 /nfs/dbraw/zinc/26/11/41/360261141.db2.gz JRYGGQDCGLUYJY-AWEZNQCLSA-N 1 2 290.363 1.371 20 30 CDEDLO C=CC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000335548335 360403681 /nfs/dbraw/zinc/40/36/81/360403681.db2.gz NQEGFHZKYAVMLR-CYBMUJFWSA-N 1 2 259.353 1.870 20 30 CDEDLO Cc1ncc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)s1 ZINC000515947416 360548701 /nfs/dbraw/zinc/54/87/01/360548701.db2.gz SVPMIIUOQNMAOC-NSHDSACASA-N 1 2 252.343 1.025 20 30 CDEDLO COc1ccc(C#N)cc1CN(C)Cc1[nH+]ccn1C ZINC000130459147 360613258 /nfs/dbraw/zinc/61/32/58/360613258.db2.gz KNURGPUJOGWOAN-UHFFFAOYSA-N 1 2 270.336 1.932 20 30 CDEDLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000426165929 360647890 /nfs/dbraw/zinc/64/78/90/360647890.db2.gz MKCNFCGKPLTKOO-GFCCVEGCSA-N 1 2 257.337 1.415 20 30 CDEDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000426165929 360647894 /nfs/dbraw/zinc/64/78/94/360647894.db2.gz MKCNFCGKPLTKOO-GFCCVEGCSA-N 1 2 257.337 1.415 20 30 CDEDLO O=C(CCn1cc[nH+]c1)NCC#Cc1ccccc1 ZINC000338008526 360624691 /nfs/dbraw/zinc/62/46/91/360624691.db2.gz TTYQGGXFQMTXRP-UHFFFAOYSA-N 1 2 253.305 1.441 20 30 CDEDLO Cc1sc(NC(=O)C[N@@H+](C)[C@H]2CCOC2)c(C#N)c1C ZINC000267413092 360794041 /nfs/dbraw/zinc/79/40/41/360794041.db2.gz UPUZNZQQRFGGOR-NSHDSACASA-N 1 2 293.392 1.896 20 30 CDEDLO Cc1sc(NC(=O)C[N@H+](C)[C@H]2CCOC2)c(C#N)c1C ZINC000267413092 360794044 /nfs/dbraw/zinc/79/40/44/360794044.db2.gz UPUZNZQQRFGGOR-NSHDSACASA-N 1 2 293.392 1.896 20 30 CDEDLO C=CCOCc1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000349865497 360956887 /nfs/dbraw/zinc/95/68/87/360956887.db2.gz SQPQXBXERDVBGY-LLVKDONJSA-N 1 2 267.329 1.554 20 30 CDEDLO C=CCOCc1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000349865497 360956889 /nfs/dbraw/zinc/95/68/89/360956889.db2.gz SQPQXBXERDVBGY-LLVKDONJSA-N 1 2 267.329 1.554 20 30 CDEDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000274251205 361062730 /nfs/dbraw/zinc/06/27/30/361062730.db2.gz ZTXAEZOAOSJMPG-AWEZNQCLSA-N 1 2 278.377 1.567 20 30 CDEDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000274251205 361062735 /nfs/dbraw/zinc/06/27/35/361062735.db2.gz ZTXAEZOAOSJMPG-AWEZNQCLSA-N 1 2 278.377 1.567 20 30 CDEDLO O=C(N[C@@H]1CCCC[C@H]1O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329249900 361463376 /nfs/dbraw/zinc/46/33/76/361463376.db2.gz AWYGCNBEPWNDDJ-RBSFLKMASA-N 1 2 296.411 1.890 20 30 CDEDLO O=C(N[C@@H]1CCCC[C@H]1O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329249900 361463382 /nfs/dbraw/zinc/46/33/82/361463382.db2.gz AWYGCNBEPWNDDJ-RBSFLKMASA-N 1 2 296.411 1.890 20 30 CDEDLO N#Cc1cccc(C(=O)NCC2([NH+]3CCOCC3)CC2)c1 ZINC000278087258 239083885 /nfs/dbraw/zinc/08/38/85/239083885.db2.gz YFOOBZFEUNVFKT-UHFFFAOYSA-N 1 2 285.347 1.153 20 30 CDEDLO CCn1cc(C[N@H+](C)[C@@H](C)C(=O)NC2(C#N)CCC2)cn1 ZINC000527049220 364060860 /nfs/dbraw/zinc/06/08/60/364060860.db2.gz HCXKDBRDIFDXJK-LBPRGKRZSA-N 1 2 289.383 1.286 20 30 CDEDLO CCn1cc(C[N@@H+](C)[C@@H](C)C(=O)NC2(C#N)CCC2)cn1 ZINC000527049220 364060869 /nfs/dbraw/zinc/06/08/69/364060869.db2.gz HCXKDBRDIFDXJK-LBPRGKRZSA-N 1 2 289.383 1.286 20 30 CDEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc(C#N)c(C)n1 ZINC000456401242 364327321 /nfs/dbraw/zinc/32/73/21/364327321.db2.gz VPUGCCOMQUBVKZ-LLVKDONJSA-N 1 2 283.335 1.969 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CC(=O)c2cc(C)[nH]c2C)nn1 ZINC000640901161 364724296 /nfs/dbraw/zinc/72/42/96/364724296.db2.gz JMJYOMIZKLMGJZ-UHFFFAOYSA-N 1 2 285.351 1.219 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)NC(C)(C)CC)nn1 ZINC000640909254 364732826 /nfs/dbraw/zinc/73/28/26/364732826.db2.gz KITASGBATFFVMJ-LBPRGKRZSA-N 1 2 291.399 1.257 20 30 CDEDLO C=C(C)C[NH+]1CCC(NC(=O)c2cccc3[nH]nnc32)CC1 ZINC000187800446 364828614 /nfs/dbraw/zinc/82/86/14/364828614.db2.gz PSJPSDGYFLCCST-UHFFFAOYSA-N 1 2 299.378 1.728 20 30 CDEDLO C[C@H](C#N)C[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000562999346 365010238 /nfs/dbraw/zinc/01/02/38/365010238.db2.gz KUIHHUPOWPJWDV-LLVKDONJSA-N 1 2 252.339 1.210 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2ncc(C)o2)nn1 ZINC000641140033 365096637 /nfs/dbraw/zinc/09/66/37/365096637.db2.gz KATGEXDMBOSLGJ-LLVKDONJSA-N 1 2 259.313 1.297 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000122644766 367467732 /nfs/dbraw/zinc/46/77/32/367467732.db2.gz LQFQWGWSTHJCIO-AWEZNQCLSA-N 1 2 297.362 1.259 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000122644766 367467735 /nfs/dbraw/zinc/46/77/35/367467735.db2.gz LQFQWGWSTHJCIO-AWEZNQCLSA-N 1 2 297.362 1.259 20 30 CDEDLO C#CCNC(=O)c1ccccc1NCc1[nH+]ccn1C ZINC000124139057 368208255 /nfs/dbraw/zinc/20/82/55/368208255.db2.gz SPSFJDPVVIXSQN-UHFFFAOYSA-N 1 2 268.320 1.395 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1cc(Cl)ccc1OC ZINC000127193204 368352118 /nfs/dbraw/zinc/35/21/18/368352118.db2.gz FNZQRUXKCPQAKN-NSHDSACASA-N 1 2 294.782 1.918 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1cc(Cl)ccc1OC ZINC000127193204 368352124 /nfs/dbraw/zinc/35/21/24/368352124.db2.gz FNZQRUXKCPQAKN-NSHDSACASA-N 1 2 294.782 1.918 20 30 CDEDLO CC#CCNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000541724429 368669726 /nfs/dbraw/zinc/66/97/26/368669726.db2.gz SEHGDZYTSWAHPV-UHFFFAOYSA-N 1 2 294.358 1.572 20 30 CDEDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000330613353 203037940 /nfs/dbraw/zinc/03/79/40/203037940.db2.gz REMSNSPUQMBKQA-UHFFFAOYSA-N 1 2 286.379 1.990 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000131789801 369154810 /nfs/dbraw/zinc/15/48/10/369154810.db2.gz LXUIGUNCFDYWHI-ZFWWWQNUSA-N 1 2 270.336 1.978 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000131789801 369154815 /nfs/dbraw/zinc/15/48/15/369154815.db2.gz LXUIGUNCFDYWHI-ZFWWWQNUSA-N 1 2 270.336 1.978 20 30 CDEDLO N#CCN1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000080723835 369922538 /nfs/dbraw/zinc/92/25/38/369922538.db2.gz QQDZCPXUGDOSOF-UHFFFAOYSA-N 1 2 251.280 1.606 20 30 CDEDLO C=CCCCS(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000564719691 370246565 /nfs/dbraw/zinc/24/65/65/370246565.db2.gz OUIPYWDFYGQZQG-UHFFFAOYSA-N 1 2 271.386 1.549 20 30 CDEDLO Cc1cc(C)cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000568826313 371232507 /nfs/dbraw/zinc/23/25/07/371232507.db2.gz JMQAWLXJKLVLLV-HNNXBMFYSA-N 1 2 259.353 1.877 20 30 CDEDLO C=CCNc1ncc(C(=O)NCCc2c[nH+]cn2C)s1 ZINC000166052312 371404173 /nfs/dbraw/zinc/40/41/73/371404173.db2.gz BCLNBNMVPQUAFY-UHFFFAOYSA-N 1 2 291.380 1.447 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1scnc1C ZINC000171750789 372218370 /nfs/dbraw/zinc/21/83/70/372218370.db2.gz FZALDDLMVADTJQ-JTQLQIEISA-N 1 2 251.355 1.021 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1scnc1C ZINC000171750789 372218377 /nfs/dbraw/zinc/21/83/77/372218377.db2.gz FZALDDLMVADTJQ-JTQLQIEISA-N 1 2 251.355 1.021 20 30 CDEDLO C=CCCC(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000173072626 372450057 /nfs/dbraw/zinc/45/00/57/372450057.db2.gz XMFUFNLBWWHPEB-LLVKDONJSA-N 1 2 267.398 1.588 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc(F)c1 ZINC000579328364 372557030 /nfs/dbraw/zinc/55/70/30/372557030.db2.gz VFBHXRARCODPMZ-GFCCVEGCSA-N 1 2 252.289 1.411 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc(F)c1 ZINC000579328364 372557034 /nfs/dbraw/zinc/55/70/34/372557034.db2.gz VFBHXRARCODPMZ-GFCCVEGCSA-N 1 2 252.289 1.411 20 30 CDEDLO COC(=O)CC[N@H+]1CCN(CCCCC#N)[C@H](C)C1 ZINC000182109030 372593186 /nfs/dbraw/zinc/59/31/86/372593186.db2.gz PQEAURDXKFXPMT-CYBMUJFWSA-N 1 2 267.373 1.249 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cc1)CC1(CS(C)(=O)=O)CC1 ZINC000348069070 372979197 /nfs/dbraw/zinc/97/91/97/372979197.db2.gz HCZQGZOEYQVVRR-UHFFFAOYSA-N 1 2 292.404 1.815 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cc1)CC1(CS(C)(=O)=O)CC1 ZINC000348069070 372979205 /nfs/dbraw/zinc/97/92/05/372979205.db2.gz HCZQGZOEYQVVRR-UHFFFAOYSA-N 1 2 292.404 1.815 20 30 CDEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NCC[NH+]2CCC2)c1 ZINC000356522597 373852095 /nfs/dbraw/zinc/85/20/95/373852095.db2.gz SBEYJTOYCCJZQP-UHFFFAOYSA-N 1 2 299.783 1.196 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)NCc2[nH]cc[nH+]2)cc1Cl ZINC000169007353 373856815 /nfs/dbraw/zinc/85/68/15/373856815.db2.gz KXRTULPIVLLZMT-UHFFFAOYSA-N 1 2 296.739 1.413 20 30 CDEDLO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCOC1 ZINC000266516143 373942525 /nfs/dbraw/zinc/94/25/25/373942525.db2.gz GQXUPUUKHITGEF-ZDUSSCGKSA-N 1 2 284.319 1.829 20 30 CDEDLO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCOC1 ZINC000266516143 373942528 /nfs/dbraw/zinc/94/25/28/373942528.db2.gz GQXUPUUKHITGEF-ZDUSSCGKSA-N 1 2 284.319 1.829 20 30 CDEDLO N#Cc1cccc(CCNC(=O)Cn2cc[nH+]c2)c1 ZINC000360587669 374017678 /nfs/dbraw/zinc/01/76/78/374017678.db2.gz ZSPOKECLKPRTIY-UHFFFAOYSA-N 1 2 254.293 1.114 20 30 CDEDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cncc(F)c1 ZINC000361133235 374033457 /nfs/dbraw/zinc/03/34/57/374033457.db2.gz VVAPODXTVSXKHD-BONVTDFDSA-N 1 2 298.321 1.970 20 30 CDEDLO N#Cc1cc(F)ccc1NC(=O)NCc1[nH]cc[nH+]1 ZINC000120832997 374064927 /nfs/dbraw/zinc/06/49/27/374064927.db2.gz AILRZSSTEMJIKP-UHFFFAOYSA-N 1 2 259.244 1.742 20 30 CDEDLO C=CCNC(=O)C[N@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000289502332 197379758 /nfs/dbraw/zinc/37/97/58/197379758.db2.gz KAGUCNUJLIRGBZ-UHFFFAOYSA-N 1 2 286.375 1.845 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000289502332 197379759 /nfs/dbraw/zinc/37/97/59/197379759.db2.gz KAGUCNUJLIRGBZ-UHFFFAOYSA-N 1 2 286.375 1.845 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)[nH]1 ZINC000123294736 374133109 /nfs/dbraw/zinc/13/31/09/374133109.db2.gz WIRKMRIPVOLEGU-ZDUSSCGKSA-N 1 2 282.303 1.575 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@]12CCNC2=O ZINC000514737630 374108228 /nfs/dbraw/zinc/10/82/28/374108228.db2.gz PWKMJQAHPFOLFL-HNNXBMFYSA-N 1 2 255.321 1.413 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@]12CCNC2=O ZINC000514737630 374108236 /nfs/dbraw/zinc/10/82/36/374108236.db2.gz PWKMJQAHPFOLFL-HNNXBMFYSA-N 1 2 255.321 1.413 20 30 CDEDLO Cn1cc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)cc1C#N ZINC000368040505 374151929 /nfs/dbraw/zinc/15/19/29/374151929.db2.gz JAPLBMLYYRFKGM-LSDHHAIUSA-N 1 2 275.352 1.277 20 30 CDEDLO Cn1cc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)cc1C#N ZINC000368040505 374151935 /nfs/dbraw/zinc/15/19/35/374151935.db2.gz JAPLBMLYYRFKGM-LSDHHAIUSA-N 1 2 275.352 1.277 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCSc1ccc(C#N)cn1 ZINC000412988068 374201299 /nfs/dbraw/zinc/20/12/99/374201299.db2.gz KLFVJICBIBHKSH-NSHDSACASA-N 1 2 263.366 1.766 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCSc1ccc(C#N)cn1 ZINC000412988068 374201304 /nfs/dbraw/zinc/20/13/04/374201304.db2.gz KLFVJICBIBHKSH-NSHDSACASA-N 1 2 263.366 1.766 20 30 CDEDLO N#CCCCCNC(=O)NCCCNc1cccc[nH+]1 ZINC000170886236 261446164 /nfs/dbraw/zinc/44/61/64/261446164.db2.gz AKLANNQACHWDKA-UHFFFAOYSA-N 1 2 275.356 1.877 20 30 CDEDLO COCCC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000530095156 374475620 /nfs/dbraw/zinc/47/56/20/374475620.db2.gz MXIURWRCLIQHFS-UHFFFAOYSA-N 1 2 275.352 1.426 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000429379763 374583681 /nfs/dbraw/zinc/58/36/81/374583681.db2.gz DGJKHJTZYHTCTH-LLVKDONJSA-N 1 2 296.367 1.564 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000429379763 374583688 /nfs/dbraw/zinc/58/36/88/374583688.db2.gz DGJKHJTZYHTCTH-LLVKDONJSA-N 1 2 296.367 1.564 20 30 CDEDLO CC[N@@H+](CC(=O)NCC(F)(F)F)C[C@H](C)C#N ZINC000042287663 374819126 /nfs/dbraw/zinc/81/91/26/374819126.db2.gz QPQFODPHUUPVAM-MRVPVSSYSA-N 1 2 251.252 1.146 20 30 CDEDLO CC[N@H+](CC(=O)NCC(F)(F)F)C[C@H](C)C#N ZINC000042287663 374819137 /nfs/dbraw/zinc/81/91/37/374819137.db2.gz QPQFODPHUUPVAM-MRVPVSSYSA-N 1 2 251.252 1.146 20 30 CDEDLO C[C@H]1C[NH+](CCOc2cccc(C#N)c2)C[C@H](C)S1=O ZINC000331141225 374895175 /nfs/dbraw/zinc/89/51/75/374895175.db2.gz FGDSTRMIEJUKNN-STQMWFEESA-N 1 2 292.404 1.778 20 30 CDEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccc(C#N)[nH]2)C[C@H](C)O1 ZINC000279418459 374902638 /nfs/dbraw/zinc/90/26/38/374902638.db2.gz XTDPCHDSSPRBFQ-TXEJJXNPSA-N 1 2 290.367 1.068 20 30 CDEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccc(C#N)[nH]2)C[C@H](C)O1 ZINC000279418459 374902642 /nfs/dbraw/zinc/90/26/42/374902642.db2.gz XTDPCHDSSPRBFQ-TXEJJXNPSA-N 1 2 290.367 1.068 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)C[C@@H](C)O1 ZINC000282460300 375086777 /nfs/dbraw/zinc/08/67/77/375086777.db2.gz VNKIMRZDSBAUNJ-DOMZBBRYSA-N 1 2 290.363 1.803 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)C[C@@H](C)O1 ZINC000282460300 375086782 /nfs/dbraw/zinc/08/67/82/375086782.db2.gz VNKIMRZDSBAUNJ-DOMZBBRYSA-N 1 2 290.363 1.803 20 30 CDEDLO COc1cc(C[N@@H+]2CC[C@H](C)[S@@](=O)CC2)ccc1C#N ZINC000282451370 375086860 /nfs/dbraw/zinc/08/68/60/375086860.db2.gz VBHOWIAREUKPGO-YUNKPMOVSA-N 1 2 292.404 1.910 20 30 CDEDLO COc1cc(C[N@H+]2CC[C@H](C)[S@@](=O)CC2)ccc1C#N ZINC000282451370 375086867 /nfs/dbraw/zinc/08/68/67/375086867.db2.gz VBHOWIAREUKPGO-YUNKPMOVSA-N 1 2 292.404 1.910 20 30 CDEDLO C=CCOc1cccnc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627370100 375228691 /nfs/dbraw/zinc/22/86/91/375228691.db2.gz NSPCWMJRMPREIL-UHFFFAOYSA-N 1 2 284.319 1.568 20 30 CDEDLO C=CCOc1cccnc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627370100 375228697 /nfs/dbraw/zinc/22/86/97/375228697.db2.gz NSPCWMJRMPREIL-UHFFFAOYSA-N 1 2 284.319 1.568 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(C#N)cn1C)C1CC1 ZINC000353346560 375261360 /nfs/dbraw/zinc/26/13/60/375261360.db2.gz BQZDINQFKSTWDR-ZDUSSCGKSA-N 1 2 283.335 1.511 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(C#N)cc1 ZINC000045956135 375792647 /nfs/dbraw/zinc/79/26/47/375792647.db2.gz RFQPYWVVOALCRX-LBPRGKRZSA-N 1 2 288.351 1.400 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000193859178 375903212 /nfs/dbraw/zinc/90/32/12/375903212.db2.gz WNMXVGGTMWEVLQ-OLZOCXBDSA-N 1 2 289.383 1.350 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000193859178 375903219 /nfs/dbraw/zinc/90/32/19/375903219.db2.gz WNMXVGGTMWEVLQ-OLZOCXBDSA-N 1 2 289.383 1.350 20 30 CDEDLO CC(C)(C(=O)NCc1cccnn1)[NH+]1CCOCC1 ZINC000328663568 375913835 /nfs/dbraw/zinc/91/38/35/375913835.db2.gz BIRNZCHCOPKJDF-UHFFFAOYSA-N 1 2 264.329 1.044 20 30 CDEDLO C[C@]1(CNC(=O)NC[C@@H]2CCCn3cc[nH+]c32)CCOC1 ZINC000328600602 375920400 /nfs/dbraw/zinc/92/04/00/375920400.db2.gz DBXJAFKHQQNMRJ-SWLSCSKDSA-N 1 2 292.383 1.691 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)c1coc(C2CCOCC2)n1 ZINC000328757836 375946350 /nfs/dbraw/zinc/94/63/50/375946350.db2.gz VIEJZRQIFPRFET-UHFFFAOYSA-N 1 2 290.323 1.807 20 30 CDEDLO CN(C)c1[nH+]cccc1CNC(=O)NCCC1(O)CCC1 ZINC000328859719 375989238 /nfs/dbraw/zinc/98/92/38/375989238.db2.gz DVVWZNAQICBBKE-UHFFFAOYSA-N 1 2 292.383 1.456 20 30 CDEDLO C[C@@H](CC#N)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000330467968 376141171 /nfs/dbraw/zinc/14/11/71/376141171.db2.gz YKHMQZNXSUUAQX-VIFPVBQESA-N 1 2 259.300 1.382 20 30 CDEDLO Cc1cc(NC(=O)CNC(=O)c2ccc(C#N)cc2)cc[nH+]1 ZINC000171107773 376143644 /nfs/dbraw/zinc/14/36/44/376143644.db2.gz LHGJUZHSJGDAQT-UHFFFAOYSA-N 1 2 294.314 1.630 20 30 CDEDLO CC[NH+]1CCN(C(=O)[C@@H](C)SCC2(C#N)CCC2)CC1 ZINC000419582863 376146712 /nfs/dbraw/zinc/14/67/12/376146712.db2.gz NRPLPQXPVTZZKC-CYBMUJFWSA-N 1 2 295.452 1.966 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](CC)O[C@@H](CC)C1 ZINC000420946987 376491904 /nfs/dbraw/zinc/49/19/04/376491904.db2.gz CIUFZOYKEWGHPO-UPJWGTAASA-N 1 2 297.399 1.276 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](CC)O[C@@H](CC)C1 ZINC000420946987 376491914 /nfs/dbraw/zinc/49/19/14/376491914.db2.gz CIUFZOYKEWGHPO-UPJWGTAASA-N 1 2 297.399 1.276 20 30 CDEDLO C=CC[N@H+](C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000246212484 376566954 /nfs/dbraw/zinc/56/69/54/376566954.db2.gz BHNXTISMVKVQQE-STQMWFEESA-N 1 2 273.398 1.231 20 30 CDEDLO C=CC[N@@H+](C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000246212484 376566961 /nfs/dbraw/zinc/56/69/61/376566961.db2.gz BHNXTISMVKVQQE-STQMWFEESA-N 1 2 273.398 1.231 20 30 CDEDLO C[NH+](C)Cc1csc(NC(=O)c2cc(C#N)c[nH]2)n1 ZINC000457318264 252485440 /nfs/dbraw/zinc/48/54/40/252485440.db2.gz UIWYINPGDKECTK-UHFFFAOYSA-N 1 2 275.337 1.657 20 30 CDEDLO Cn1cc(Br)c(C[NH2+][C@@H]2CC[C@@H](C#N)C2)n1 ZINC000334678765 377166386 /nfs/dbraw/zinc/16/63/86/377166386.db2.gz OIGQSGJVQCUDBW-RKDXNWHRSA-N 1 2 283.173 1.964 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000076186006 377466512 /nfs/dbraw/zinc/46/65/12/377466512.db2.gz AOMUSVFQAHAPRP-HZPDHXFCSA-N 1 2 272.392 1.736 20 30 CDEDLO CC[N@@H+](CC(=O)N1CCCC[C@H]1C)C[C@@H](C)C#N ZINC000249905082 377483964 /nfs/dbraw/zinc/48/39/64/377483964.db2.gz UQRWTZFEGRQKQP-QWHCGFSZSA-N 1 2 251.374 1.869 20 30 CDEDLO CC[N@H+](CC(=O)N1CCCC[C@H]1C)C[C@@H](C)C#N ZINC000249905082 377483968 /nfs/dbraw/zinc/48/39/68/377483968.db2.gz UQRWTZFEGRQKQP-QWHCGFSZSA-N 1 2 251.374 1.869 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H]1CCCCO1 ZINC000078686805 377851650 /nfs/dbraw/zinc/85/16/50/377851650.db2.gz LEMQRUHSJMFRTL-HNNXBMFYSA-N 1 2 281.400 1.103 20 30 CDEDLO CC#CC[C@H](CO)Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000645404872 378152869 /nfs/dbraw/zinc/15/28/69/378152869.db2.gz QVGMMQKDMJXQRO-GFCCVEGCSA-N 1 2 292.408 1.216 20 30 CDEDLO CC#CC[C@H](CO)Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000645404872 378152872 /nfs/dbraw/zinc/15/28/72/378152872.db2.gz QVGMMQKDMJXQRO-GFCCVEGCSA-N 1 2 292.408 1.216 20 30 CDEDLO C#CCNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000135838410 378279967 /nfs/dbraw/zinc/27/99/67/378279967.db2.gz BODHBXIFWZHYKP-UHFFFAOYSA-N 1 2 287.363 1.026 20 30 CDEDLO C=CCNc1ncc(C(=O)N2CCn3c[nH+]cc3C2)s1 ZINC000291125447 378451701 /nfs/dbraw/zinc/45/17/01/378451701.db2.gz NUFLYRRUKOONQY-UHFFFAOYSA-N 1 2 289.364 1.594 20 30 CDEDLO C#CCSCC[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000195072618 378507080 /nfs/dbraw/zinc/50/70/80/378507080.db2.gz SITDEHGOWIDNOQ-ZDUSSCGKSA-N 1 2 272.377 1.850 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000292991245 378532244 /nfs/dbraw/zinc/53/22/44/378532244.db2.gz CDJUFMDYTBFKQI-UHFFFAOYSA-N 1 2 291.307 1.497 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000292991245 378532249 /nfs/dbraw/zinc/53/22/49/378532249.db2.gz CDJUFMDYTBFKQI-UHFFFAOYSA-N 1 2 291.307 1.497 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(OC)s2)C1=O ZINC000639132601 378768475 /nfs/dbraw/zinc/76/84/75/378768475.db2.gz RCGPXVHUPFHSQJ-LLVKDONJSA-N 1 2 281.381 1.370 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(OC)s2)C1=O ZINC000639132601 378768477 /nfs/dbraw/zinc/76/84/77/378768477.db2.gz RCGPXVHUPFHSQJ-LLVKDONJSA-N 1 2 281.381 1.370 20 30 CDEDLO C[C@H](C#N)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343373334 378858830 /nfs/dbraw/zinc/85/88/30/378858830.db2.gz OBXNGUNAIQXLFF-SNVBAGLBSA-N 1 2 255.281 1.425 20 30 CDEDLO Cc1cc(C[NH2+]Cc2nc(N(C)C)no2)ccc1C#N ZINC000446797589 250316123 /nfs/dbraw/zinc/31/61/23/250316123.db2.gz YOBSBQIMKSEDGS-UHFFFAOYSA-N 1 2 271.324 1.606 20 30 CDEDLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000042365047 379581040 /nfs/dbraw/zinc/58/10/40/379581040.db2.gz JTJURSZDBBSLAU-UHFFFAOYSA-N 1 2 297.362 1.969 20 30 CDEDLO Cc1n[nH]c(C)c1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000042365047 379581046 /nfs/dbraw/zinc/58/10/46/379581046.db2.gz JTJURSZDBBSLAU-UHFFFAOYSA-N 1 2 297.362 1.969 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000175189434 379652664 /nfs/dbraw/zinc/65/26/64/379652664.db2.gz BDHKVFQMBPIDDL-UHFFFAOYSA-N 1 2 295.346 1.812 20 30 CDEDLO C[C@@H](C[N@H+](C)Cc1cccc(C#N)c1)S(C)(=O)=O ZINC000450229352 251184037 /nfs/dbraw/zinc/18/40/37/251184037.db2.gz XBKYVWHXLUTGIF-NSHDSACASA-N 1 2 266.366 1.423 20 30 CDEDLO C[C@@H](C[N@@H+](C)Cc1cccc(C#N)c1)S(C)(=O)=O ZINC000450229352 251184040 /nfs/dbraw/zinc/18/40/40/251184040.db2.gz XBKYVWHXLUTGIF-NSHDSACASA-N 1 2 266.366 1.423 20 30 CDEDLO C#CCCCC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000192064355 533018069 /nfs/dbraw/zinc/01/80/69/533018069.db2.gz BUIHNDKPGMTECX-UHFFFAOYSA-N 1 2 287.363 1.338 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)/C=C/c2cccc(C#N)c2)CCO1 ZINC000492891181 253319416 /nfs/dbraw/zinc/31/94/16/253319416.db2.gz FPHMJWQCSUGCGY-VBROQKIQSA-N 1 2 299.374 1.408 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)/C=C/c2cccc(C#N)c2)CCO1 ZINC000492891181 253319417 /nfs/dbraw/zinc/31/94/17/253319417.db2.gz FPHMJWQCSUGCGY-VBROQKIQSA-N 1 2 299.374 1.408 20 30 CDEDLO N#CCCN(C(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC000048393225 390673389 /nfs/dbraw/zinc/67/33/89/390673389.db2.gz HNUQOVVFWCHEKC-UHFFFAOYSA-N 1 2 254.293 1.830 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000346998875 533237834 /nfs/dbraw/zinc/23/78/34/533237834.db2.gz YFCIQCHGKXSLHP-LBPRGKRZSA-N 1 2 293.411 1.827 20 30 CDEDLO Cc1cc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)ccc1C#N ZINC000362967077 390876546 /nfs/dbraw/zinc/87/65/46/390876546.db2.gz OSDFAZROAYIONH-AWEZNQCLSA-N 1 2 278.377 1.486 20 30 CDEDLO Cc1cc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)ccc1C#N ZINC000362967077 390876548 /nfs/dbraw/zinc/87/65/48/390876548.db2.gz OSDFAZROAYIONH-AWEZNQCLSA-N 1 2 278.377 1.486 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000367587277 390947328 /nfs/dbraw/zinc/94/73/28/390947328.db2.gz REZPQHIYQMRUJX-GJZGRUSLSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000367587277 390947329 /nfs/dbraw/zinc/94/73/29/390947329.db2.gz REZPQHIYQMRUJX-GJZGRUSLSA-N 1 2 296.411 1.291 20 30 CDEDLO C[C@@H](O[NH+]=C(N)CCO)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000121341276 390883786 /nfs/dbraw/zinc/88/37/86/390883786.db2.gz CIMBVWDJALKPJP-VHSXEESVSA-N 1 2 297.330 1.063 20 30 CDEDLO CC(C)c1ccccc1NC(=O)[C@H](C)O[NH+]=C(N)CCO ZINC000121335314 390883947 /nfs/dbraw/zinc/88/39/47/390883947.db2.gz NLMQAPZEOAHWPC-NSHDSACASA-N 1 2 293.367 1.808 20 30 CDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCCOc1cccc(C)c1 ZINC000124169797 390913372 /nfs/dbraw/zinc/91/33/72/390913372.db2.gz FKXYYOZUKIVZGO-UHFFFAOYSA-N 1 2 293.367 1.577 20 30 CDEDLO C#CCCCCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000155104200 390917196 /nfs/dbraw/zinc/91/71/96/390917196.db2.gz XIZPKORRUHYPCW-HNNXBMFYSA-N 1 2 293.411 1.296 20 30 CDEDLO O=C(N[C@H]1CCCC[C@@H]1O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329474264 390994470 /nfs/dbraw/zinc/99/44/70/390994470.db2.gz AWYGCNBEPWNDDJ-KKUMJFAQSA-N 1 2 296.411 1.890 20 30 CDEDLO O=C(N[C@H]1CCCC[C@@H]1O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329474264 390994473 /nfs/dbraw/zinc/99/44/73/390994473.db2.gz AWYGCNBEPWNDDJ-KKUMJFAQSA-N 1 2 296.411 1.890 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000373462909 391120530 /nfs/dbraw/zinc/12/05/30/391120530.db2.gz UTHRMSIGTGODAZ-GFCCVEGCSA-N 1 2 268.357 1.235 20 30 CDEDLO CC#CC[N@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000373462909 391120534 /nfs/dbraw/zinc/12/05/34/391120534.db2.gz UTHRMSIGTGODAZ-GFCCVEGCSA-N 1 2 268.357 1.235 20 30 CDEDLO CO[C@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000329271254 533287952 /nfs/dbraw/zinc/28/79/52/533287952.db2.gz HYGWJJZAFNMELV-UPJWGTAASA-N 1 2 292.383 1.784 20 30 CDEDLO C[C@@H](CNC(=O)c1ccccc1OCC#N)Cn1cc[nH+]c1 ZINC000176397445 391151690 /nfs/dbraw/zinc/15/16/90/391151690.db2.gz DVWFCRJCPACNJH-ZDUSSCGKSA-N 1 2 298.346 1.852 20 30 CDEDLO C=CCOCCCC(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000374375404 391160779 /nfs/dbraw/zinc/16/07/79/391160779.db2.gz QQUOXEYRJYBTRA-OAHLLOKOSA-N 1 2 289.379 1.537 20 30 CDEDLO CCN(CC)C(=O)CO[NH+]=C(N)c1cccc(OC)c1 ZINC000177612155 391172173 /nfs/dbraw/zinc/17/21/73/391172173.db2.gz MQGQWBNLKDMJNL-UHFFFAOYSA-N 1 2 279.340 1.201 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000491736961 391251898 /nfs/dbraw/zinc/25/18/98/391251898.db2.gz DULAEWCSSSYITQ-STQMWFEESA-N 1 2 256.349 1.918 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000491736961 391251903 /nfs/dbraw/zinc/25/19/03/391251903.db2.gz DULAEWCSSSYITQ-STQMWFEESA-N 1 2 256.349 1.918 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000375902837 391204711 /nfs/dbraw/zinc/20/47/11/391204711.db2.gz GQDCCBXYHISWQA-OCCSQVGLSA-N 1 2 279.384 1.248 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000375902837 391204712 /nfs/dbraw/zinc/20/47/12/391204712.db2.gz GQDCCBXYHISWQA-OCCSQVGLSA-N 1 2 279.384 1.248 20 30 CDEDLO CCOC(=O)C[C@@H](C)C/[NH+]=C/c1ccc(O)c(O)c1O ZINC000270504941 391275920 /nfs/dbraw/zinc/27/59/20/391275920.db2.gz QDFPYXXHAAAFCI-KOLYXTFFSA-N 1 2 281.308 1.812 20 30 CDEDLO N#C[C@@H]1CSCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000271747799 391303703 /nfs/dbraw/zinc/30/37/03/391303703.db2.gz RQNXFIFOCBSLSH-GFCCVEGCSA-N 1 2 286.360 1.344 20 30 CDEDLO C=CC[NH+](CC=C)CC(=O)Nc1cccc(C(=O)OC)n1 ZINC000345772108 391311653 /nfs/dbraw/zinc/31/16/53/391311653.db2.gz ODHCWPIELOGQIJ-UHFFFAOYSA-N 1 2 289.335 1.481 20 30 CDEDLO C=C(C)C[N@@H+](CC(=O)NCC)Cc1cnn(C(C)C)c1 ZINC000352923130 391315912 /nfs/dbraw/zinc/31/59/12/391315912.db2.gz UXHYLEPKAQIYOI-UHFFFAOYSA-N 1 2 278.400 1.978 20 30 CDEDLO C=C(C)C[N@H+](CC(=O)NCC)Cc1cnn(C(C)C)c1 ZINC000352923130 391315916 /nfs/dbraw/zinc/31/59/16/391315916.db2.gz UXHYLEPKAQIYOI-UHFFFAOYSA-N 1 2 278.400 1.978 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000339747735 391342901 /nfs/dbraw/zinc/34/29/01/391342901.db2.gz AHSXKTNDQPVMFR-UONOGXRCSA-N 1 2 250.386 1.979 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000339747735 391342906 /nfs/dbraw/zinc/34/29/06/391342906.db2.gz AHSXKTNDQPVMFR-UONOGXRCSA-N 1 2 250.386 1.979 20 30 CDEDLO C[N@H+](CCC1(C#N)CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000411139624 391395720 /nfs/dbraw/zinc/39/57/20/391395720.db2.gz GKEDZQRVILYUMK-ZDUSSCGKSA-N 1 2 284.425 1.969 20 30 CDEDLO C[N@@H+](CCC1(C#N)CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000411139624 391395723 /nfs/dbraw/zinc/39/57/23/391395723.db2.gz GKEDZQRVILYUMK-ZDUSSCGKSA-N 1 2 284.425 1.969 20 30 CDEDLO N#CC1(C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000328965477 391400277 /nfs/dbraw/zinc/40/02/77/391400277.db2.gz MJURLRCWKOYFGF-YNEHKIRRSA-N 1 2 250.342 1.152 20 30 CDEDLO N#CC1(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000328965477 391400282 /nfs/dbraw/zinc/40/02/82/391400282.db2.gz MJURLRCWKOYFGF-YNEHKIRRSA-N 1 2 250.342 1.152 20 30 CDEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnnn1C ZINC000348640080 391449357 /nfs/dbraw/zinc/44/93/57/391449357.db2.gz GIMPOTRRZVTZHN-UHFFFAOYSA-N 1 2 276.340 1.479 20 30 CDEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnnn1C ZINC000348640080 391449361 /nfs/dbraw/zinc/44/93/61/391449361.db2.gz GIMPOTRRZVTZHN-UHFFFAOYSA-N 1 2 276.340 1.479 20 30 CDEDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2occc2C)C1 ZINC000330597837 391452705 /nfs/dbraw/zinc/45/27/05/391452705.db2.gz DZUYRGAXKKQOKD-GFCCVEGCSA-N 1 2 294.351 1.778 20 30 CDEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2occc2C)C1 ZINC000330597837 391452707 /nfs/dbraw/zinc/45/27/07/391452707.db2.gz DZUYRGAXKKQOKD-GFCCVEGCSA-N 1 2 294.351 1.778 20 30 CDEDLO CC(C)c1ncncc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330622917 391460765 /nfs/dbraw/zinc/46/07/65/391460765.db2.gz OTJRGDVKMCXLLT-GFCCVEGCSA-N 1 2 292.383 1.625 20 30 CDEDLO CC(C)c1ncncc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330622917 391460767 /nfs/dbraw/zinc/46/07/67/391460767.db2.gz OTJRGDVKMCXLLT-GFCCVEGCSA-N 1 2 292.383 1.625 20 30 CDEDLO C=CCN(CCC#N)C(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000359399649 391594056 /nfs/dbraw/zinc/59/40/56/391594056.db2.gz BHZLYAMJVPNZJG-CABCVRRESA-N 1 2 293.411 1.804 20 30 CDEDLO C=CCN(CCC#N)C(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000359399649 391594060 /nfs/dbraw/zinc/59/40/60/391594060.db2.gz BHZLYAMJVPNZJG-CABCVRRESA-N 1 2 293.411 1.804 20 30 CDEDLO Cc1ccn2cc(CNC(=O)NCC(C)(C)C#N)[nH+]c2c1 ZINC000351759936 391653419 /nfs/dbraw/zinc/65/34/19/391653419.db2.gz DVPVQVNEJDGBSB-UHFFFAOYSA-N 1 2 285.351 1.992 20 30 CDEDLO N#CC1(NC(=O)CSc2[nH+]cc3ccccn32)CCC1 ZINC000527368764 391658793 /nfs/dbraw/zinc/65/87/93/391658793.db2.gz IKEGNOCRIWTIKQ-UHFFFAOYSA-N 1 2 286.360 1.989 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@H](C)CC1CCOCC1)C(=O)OC ZINC000361110528 391682537 /nfs/dbraw/zinc/68/25/37/391682537.db2.gz HCBVXKLLNFONOF-TZMCWYRMSA-N 1 2 285.384 1.525 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)C(=O)OC ZINC000361112010 391683069 /nfs/dbraw/zinc/68/30/69/391683069.db2.gz WEJTVMLPJVAGBY-AGIUHOORSA-N 1 2 255.358 1.899 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000189721099 130014341 /nfs/dbraw/zinc/01/43/41/130014341.db2.gz AXCYCTWZKDZRLW-OLZOCXBDSA-N 1 2 283.397 1.672 20 30 CDEDLO CC1(C)C[N@H+](CCNC(=O)N[C@@H]2CCSC2)CCO1 ZINC000329810839 391782766 /nfs/dbraw/zinc/78/27/66/391782766.db2.gz QZFZULYLJXDERL-LLVKDONJSA-N 1 2 287.429 1.106 20 30 CDEDLO CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2CCSC2)CCO1 ZINC000329810839 391782770 /nfs/dbraw/zinc/78/27/70/391782770.db2.gz QZFZULYLJXDERL-LLVKDONJSA-N 1 2 287.429 1.106 20 30 CDEDLO C[C@H](NC(=O)[C@@H]1CCCOCC1)[C@H](C)[NH+]1CCOCC1 ZINC000329878678 391793200 /nfs/dbraw/zinc/79/32/00/391793200.db2.gz LDXXRXYHFBEHPM-MELADBBJSA-N 1 2 284.400 1.869 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)C[C@@H](C2CC2)O1 ZINC000329955435 391806139 /nfs/dbraw/zinc/80/61/39/391806139.db2.gz OIOBSCJQRIBFJK-XBFCOCLRSA-N 1 2 282.384 1.621 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)C[C@@H](C2CC2)O1 ZINC000329955435 391806141 /nfs/dbraw/zinc/80/61/41/391806141.db2.gz OIOBSCJQRIBFJK-XBFCOCLRSA-N 1 2 282.384 1.621 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCc1cccc(OCC)c1 ZINC000192230723 130398904 /nfs/dbraw/zinc/39/89/04/130398904.db2.gz LAXQMKABOYEQQJ-UHFFFAOYSA-N 1 2 260.337 1.267 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCc1cccc(OCC)c1 ZINC000192230723 130398906 /nfs/dbraw/zinc/39/89/06/130398906.db2.gz LAXQMKABOYEQQJ-UHFFFAOYSA-N 1 2 260.337 1.267 20 30 CDEDLO CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1(C#N)CCC1 ZINC000372314515 391847489 /nfs/dbraw/zinc/84/74/89/391847489.db2.gz DMEHOSBWSADLHL-NSHDSACASA-N 1 2 258.325 1.350 20 30 CDEDLO C=CCCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000660310660 413051358 /nfs/dbraw/zinc/05/13/58/413051358.db2.gz CDXOMBCNZITMAW-UHFFFAOYSA-N 1 2 290.367 1.294 20 30 CDEDLO C=C[C@@H](O)C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000646573684 392572724 /nfs/dbraw/zinc/57/27/24/392572724.db2.gz WRMYICKZACCWDT-CQSZACIVSA-N 1 2 294.782 1.531 20 30 CDEDLO CC(C)N(C)c1ccc(CNc2n[nH]cc2C#N)c[nH+]1 ZINC000419706012 392893604 /nfs/dbraw/zinc/89/36/04/392893604.db2.gz JOFLDHBVEJVWQV-UHFFFAOYSA-N 1 2 270.340 1.555 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Cc2ccc(C#N)cc2)C1 ZINC000534411439 393096424 /nfs/dbraw/zinc/09/64/24/393096424.db2.gz RYSHRLJYAGIKNJ-HNNXBMFYSA-N 1 2 294.358 1.850 20 30 CDEDLO Cc1cc(NC(=O)c2ccc(C#N)c(C)n2)c(C)c[nH+]1 ZINC000534300051 393097396 /nfs/dbraw/zinc/09/73/96/393097396.db2.gz VHPXWXANDKQFNA-UHFFFAOYSA-N 1 2 266.304 1.948 20 30 CDEDLO N#Cc1cccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000335952518 151144678 /nfs/dbraw/zinc/14/46/78/151144678.db2.gz GLBKGPMXUOKSLU-LBPRGKRZSA-N 1 2 266.304 1.956 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H](C)[S@@]1=O ZINC000336089621 151259271 /nfs/dbraw/zinc/25/92/71/151259271.db2.gz DORLPUCLBSGHKU-KSPBDQMDSA-N 1 2 262.378 1.900 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H](C)[S@@]1=O ZINC000336089621 151259272 /nfs/dbraw/zinc/25/92/72/151259272.db2.gz DORLPUCLBSGHKU-KSPBDQMDSA-N 1 2 262.378 1.900 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2csc(C)n2)nn1 ZINC000656445328 413256858 /nfs/dbraw/zinc/25/68/58/413256858.db2.gz BMUGTOZTUOBMGD-UHFFFAOYSA-N 1 2 261.354 1.204 20 30 CDEDLO N#Cc1cc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c[nH]1 ZINC000343363985 152139849 /nfs/dbraw/zinc/13/98/49/152139849.db2.gz CJZHTCJYTVCIHW-UHFFFAOYSA-N 1 2 292.302 1.778 20 30 CDEDLO N#Cc1ccc(C[NH2+]Cc2cc(C(N)=O)no2)c(F)c1 ZINC000350393979 154373244 /nfs/dbraw/zinc/37/32/44/154373244.db2.gz QJQBIUUDQFFAHI-UHFFFAOYSA-N 1 2 274.255 1.074 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)s1 ZINC000362948242 159274771 /nfs/dbraw/zinc/27/47/71/159274771.db2.gz GPGHHDXSPBLKAH-VIFPVBQESA-N 1 2 260.322 1.635 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000372382560 160114601 /nfs/dbraw/zinc/11/46/01/160114601.db2.gz CVVAQVUSUPBBDP-NSHDSACASA-N 1 2 273.336 1.277 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000372382560 160114603 /nfs/dbraw/zinc/11/46/03/160114603.db2.gz CVVAQVUSUPBBDP-NSHDSACASA-N 1 2 273.336 1.277 20 30 CDEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000373215603 160183101 /nfs/dbraw/zinc/18/31/01/160183101.db2.gz JCXGBWWJEJPKSI-HNNXBMFYSA-N 1 2 287.363 1.237 20 30 CDEDLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000373215603 160183103 /nfs/dbraw/zinc/18/31/03/160183103.db2.gz JCXGBWWJEJPKSI-HNNXBMFYSA-N 1 2 287.363 1.237 20 30 CDEDLO C=CC[C@H]1CCCN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000658811117 413446919 /nfs/dbraw/zinc/44/69/19/413446919.db2.gz HMVMXWLYKYZHPL-LBPRGKRZSA-N 1 2 290.367 1.183 20 30 CDEDLO C=CC[C@H]1CCCN(C(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000658811117 413446926 /nfs/dbraw/zinc/44/69/26/413446926.db2.gz HMVMXWLYKYZHPL-LBPRGKRZSA-N 1 2 290.367 1.183 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCSCC1 ZINC000020257258 171111998 /nfs/dbraw/zinc/11/19/98/171111998.db2.gz QURKBXPOGHGFKB-LLVKDONJSA-N 1 2 275.377 1.934 20 30 CDEDLO C=CC[N@H+]1CCc2c(cccc2S(=O)(=O)N(C)C)C1 ZINC000284763980 196127745 /nfs/dbraw/zinc/12/77/45/196127745.db2.gz MHHOEYGBXUMNJS-UHFFFAOYSA-N 1 2 280.393 1.481 20 30 CDEDLO C=CC[N@@H+]1CCc2c(cccc2S(=O)(=O)N(C)C)C1 ZINC000284763980 196127747 /nfs/dbraw/zinc/12/77/47/196127747.db2.gz MHHOEYGBXUMNJS-UHFFFAOYSA-N 1 2 280.393 1.481 20 30 CDEDLO C=CC[C@@H]1CCCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000660344922 413546969 /nfs/dbraw/zinc/54/69/69/413546969.db2.gz KQYREAVCNYGLGC-HUUCEWRRSA-N 1 2 295.427 1.705 20 30 CDEDLO C=CC[N@H+](CC(=O)Nc1nccs1)[C@H](C)COC ZINC000661243483 413915368 /nfs/dbraw/zinc/91/53/68/413915368.db2.gz LBLNECYYOUFEPP-SNVBAGLBSA-N 1 2 269.370 1.605 20 30 CDEDLO C=CC[N@@H+](CC(=O)Nc1nccs1)[C@H](C)COC ZINC000661243483 413915374 /nfs/dbraw/zinc/91/53/74/413915374.db2.gz LBLNECYYOUFEPP-SNVBAGLBSA-N 1 2 269.370 1.605 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCCOCC)Cc1ccccc1 ZINC000285641362 196352323 /nfs/dbraw/zinc/35/23/23/196352323.db2.gz LFWVLVAWEBVUHR-UHFFFAOYSA-N 1 2 274.364 1.275 20 30 CDEDLO C#CC[N@H+](CC(=O)NCCOCC)Cc1ccccc1 ZINC000285641362 196352325 /nfs/dbraw/zinc/35/23/25/196352325.db2.gz LFWVLVAWEBVUHR-UHFFFAOYSA-N 1 2 274.364 1.275 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2ccc(C(N)=O)cc2)nn1 ZINC000657290591 414124132 /nfs/dbraw/zinc/12/41/32/414124132.db2.gz LBESIKLODRJNMR-UHFFFAOYSA-N 1 2 285.351 1.243 20 30 CDEDLO C=CCCC(C)(C)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000663638406 414385078 /nfs/dbraw/zinc/38/50/78/414385078.db2.gz NPBFMAXDZSATMX-ZDUSSCGKSA-N 1 2 283.416 1.751 20 30 CDEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)c2cccn2C)CC1 ZINC000662253025 414586856 /nfs/dbraw/zinc/58/68/56/414586856.db2.gz GMZOJLXKRLVDMQ-AWEZNQCLSA-N 1 2 273.380 1.585 20 30 CDEDLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCCCNC1=O ZINC000329249673 227380343 /nfs/dbraw/zinc/38/03/43/227380343.db2.gz TXOFPSWPYPTJEW-JTQLQIEISA-N 1 2 250.302 1.808 20 30 CDEDLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCCCNC1=O ZINC000329249673 227380345 /nfs/dbraw/zinc/38/03/45/227380345.db2.gz TXOFPSWPYPTJEW-JTQLQIEISA-N 1 2 250.302 1.808 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@@](C)(F)C1)C1CC1 ZINC000347383093 226141084 /nfs/dbraw/zinc/14/10/84/226141084.db2.gz NSVPVIHRFHULDD-OLZOCXBDSA-N 1 2 253.321 1.229 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@@](C)(F)C1)C1CC1 ZINC000347383093 226141087 /nfs/dbraw/zinc/14/10/87/226141087.db2.gz NSVPVIHRFHULDD-OLZOCXBDSA-N 1 2 253.321 1.229 20 30 CDEDLO N#CC1(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CCC1 ZINC000333908394 228219966 /nfs/dbraw/zinc/21/99/66/228219966.db2.gz KONBAGNZXMNIFA-UHFFFAOYSA-N 1 2 287.367 1.993 20 30 CDEDLO N#CC1(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CCC1 ZINC000333908394 228219967 /nfs/dbraw/zinc/21/99/67/228219967.db2.gz KONBAGNZXMNIFA-UHFFFAOYSA-N 1 2 287.367 1.993 20 30 CDEDLO Cc1nc(CC(N)=[NH+]OCc2noc(C3CC3)n2)cs1 ZINC000067098570 260250752 /nfs/dbraw/zinc/25/07/52/260250752.db2.gz VVXZRJKCQKUQBR-UHFFFAOYSA-N 1 2 293.352 1.743 20 30 CDEDLO C#C[C@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)C(C)C ZINC000374279918 260255134 /nfs/dbraw/zinc/25/51/34/260255134.db2.gz MIBPGONWELKDHB-KGLIPLIRSA-N 1 2 288.395 1.967 20 30 CDEDLO C[NH+](C)[C@@H](CNC(=O)CC#N)c1c(F)cccc1F ZINC000153830398 261083501 /nfs/dbraw/zinc/08/35/01/261083501.db2.gz DPUVGZOTKUHLFH-NSHDSACASA-N 1 2 267.279 1.597 20 30 CDEDLO C#CC[N@H+](CC#CC)CCn1cnc2ccccc2c1=O ZINC000490838811 261221592 /nfs/dbraw/zinc/22/15/92/261221592.db2.gz DPQSPQQCUPCYQK-UHFFFAOYSA-N 1 2 279.343 1.355 20 30 CDEDLO C#CC[N@@H+](CC#CC)CCn1cnc2ccccc2c1=O ZINC000490838811 261221593 /nfs/dbraw/zinc/22/15/93/261221593.db2.gz DPQSPQQCUPCYQK-UHFFFAOYSA-N 1 2 279.343 1.355 20 30 CDEDLO CO/N=C/C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000282918484 263079653 /nfs/dbraw/zinc/07/96/53/263079653.db2.gz INLFGPFXFKELLB-XNTDXEJSSA-N 1 2 277.324 1.090 20 30 CDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCC[C@@H](O)c1ccccc1 ZINC000285315887 263091946 /nfs/dbraw/zinc/09/19/46/263091946.db2.gz XAHAYWBYPDFOGX-CYBMUJFWSA-N 1 2 293.367 1.314 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)NCCCCC#N ZINC000292774929 263135075 /nfs/dbraw/zinc/13/50/75/263135075.db2.gz SZCIVWUDFYTELI-UHFFFAOYSA-N 1 2 262.313 1.583 20 30 CDEDLO COC(=O)COc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1 ZINC000341307112 263333197 /nfs/dbraw/zinc/33/31/97/263333197.db2.gz KAEYPVBQQKNMLJ-GFCCVEGCSA-N 1 2 276.336 1.972 20 30 CDEDLO COC(=O)COc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1 ZINC000341307112 263333199 /nfs/dbraw/zinc/33/31/99/263333199.db2.gz KAEYPVBQQKNMLJ-GFCCVEGCSA-N 1 2 276.336 1.972 20 30 CDEDLO COCC1(C#N)CC[NH+]([C@@H](C)c2nc(C)cc(=O)[nH]2)CC1 ZINC000341983689 263371047 /nfs/dbraw/zinc/37/10/47/263371047.db2.gz UNGYTUVUINFLFL-LBPRGKRZSA-N 1 2 290.367 1.804 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2cnc(C)cn2)CC1 ZINC000341968897 263371710 /nfs/dbraw/zinc/37/17/10/263371710.db2.gz BEKYOLNMXKNRSP-UHFFFAOYSA-N 1 2 260.341 1.537 20 30 CDEDLO CCn1cc[nH+]c1[C@@H](NC(=O)N(C)C)C1CCOCC1 ZINC000330536332 263970662 /nfs/dbraw/zinc/97/06/62/263970662.db2.gz PSXLXPCWOZLHPN-LBPRGKRZSA-N 1 2 280.372 1.846 20 30 CDEDLO CCc1cc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc(=O)[nH]1 ZINC000330748891 264028974 /nfs/dbraw/zinc/02/89/74/264028974.db2.gz VRRCBXPRTPGFGB-NSHDSACASA-N 1 2 293.367 1.375 20 30 CDEDLO CCc1cc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cc(=O)[nH]1 ZINC000330748891 264028976 /nfs/dbraw/zinc/02/89/76/264028976.db2.gz VRRCBXPRTPGFGB-NSHDSACASA-N 1 2 293.367 1.375 20 30 CDEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CCCC#N)C1 ZINC000330906431 264074421 /nfs/dbraw/zinc/07/44/21/264074421.db2.gz VMNLKRWMFGPKPV-CYBMUJFWSA-N 1 2 274.368 1.895 20 30 CDEDLO CO[C@H](C)[C@H](C)NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000330966457 264090313 /nfs/dbraw/zinc/09/03/13/264090313.db2.gz CZKZGWOMIVVPFR-SCRDCRAPSA-N 1 2 293.367 1.872 20 30 CDEDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cccc(C#N)n1)CCO2 ZINC000602646905 424590042 /nfs/dbraw/zinc/59/00/42/424590042.db2.gz DUAANSWSBXBZDF-IUODEOHRSA-N 1 2 273.336 1.333 20 30 CDEDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cccc(C#N)n1)CCO2 ZINC000602646905 424590050 /nfs/dbraw/zinc/59/00/50/424590050.db2.gz DUAANSWSBXBZDF-IUODEOHRSA-N 1 2 273.336 1.333 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000370225636 267300334 /nfs/dbraw/zinc/30/03/34/267300334.db2.gz WRKBKKZMTHNFTD-GUBZILKMSA-N 1 2 273.174 1.481 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000370225636 267300336 /nfs/dbraw/zinc/30/03/36/267300336.db2.gz WRKBKKZMTHNFTD-GUBZILKMSA-N 1 2 273.174 1.481 20 30 CDEDLO N#CCSCC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000370544820 267328362 /nfs/dbraw/zinc/32/83/62/267328362.db2.gz ARCHZYIGNUSSMV-CHWSQXEVSA-N 1 2 297.424 1.003 20 30 CDEDLO C[C@@H]1C[N@@H+](CC#CCN2C[C@H](C)OC[C@H]2C)[C@H](C)CO1 ZINC000351621666 288135673 /nfs/dbraw/zinc/13/56/73/288135673.db2.gz UNELLWSDUVBDFN-FPCVCCKLSA-N 1 2 280.412 1.208 20 30 CDEDLO C[C@@H]1C[N@H+](CC#CCN2C[C@H](C)OC[C@H]2C)[C@H](C)CO1 ZINC000351621666 288135674 /nfs/dbraw/zinc/13/56/74/288135674.db2.gz UNELLWSDUVBDFN-FPCVCCKLSA-N 1 2 280.412 1.208 20 30 CDEDLO C[C@@H]1CN(CC#CC[N@@H+]2C[C@H](C)OC[C@H]2C)[C@H](C)CO1 ZINC000351621666 288135676 /nfs/dbraw/zinc/13/56/76/288135676.db2.gz UNELLWSDUVBDFN-FPCVCCKLSA-N 1 2 280.412 1.208 20 30 CDEDLO C[C@@H]1CN(CC#CC[N@H+]2C[C@H](C)OC[C@H]2C)[C@H](C)CO1 ZINC000351621666 288135678 /nfs/dbraw/zinc/13/56/78/288135678.db2.gz UNELLWSDUVBDFN-FPCVCCKLSA-N 1 2 280.412 1.208 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21 ZINC000151781599 289104453 /nfs/dbraw/zinc/10/44/53/289104453.db2.gz XYULYZSAJDATJZ-HOTGVXAUSA-N 1 2 299.374 1.032 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21 ZINC000151781599 289104454 /nfs/dbraw/zinc/10/44/54/289104454.db2.gz XYULYZSAJDATJZ-HOTGVXAUSA-N 1 2 299.374 1.032 20 30 CDEDLO Cc1cc(NCC2([NH+]3CCOCC3)CC2)cc(C#N)n1 ZINC000553245705 290106858 /nfs/dbraw/zinc/10/68/58/290106858.db2.gz GQUOBKWVPNUZBV-UHFFFAOYSA-N 1 2 272.352 1.538 20 30 CDEDLO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1nnnn1CC1CC1)CC2 ZINC000571096782 294368720 /nfs/dbraw/zinc/36/87/20/294368720.db2.gz SUPVIUZVFNIDFS-OAHLLOKOSA-N 1 2 294.362 1.732 20 30 CDEDLO N#Cc1cccc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)n1 ZINC000563623600 316345281 /nfs/dbraw/zinc/34/52/81/316345281.db2.gz JGAVNWQUSMMRPU-JTQLQIEISA-N 1 2 282.307 1.286 20 30 CDEDLO Cc1nsc(NCC[N@@H+]2CCO[C@H](C)C2)c1C#N ZINC000575823824 317021907 /nfs/dbraw/zinc/02/19/07/317021907.db2.gz UTIWVWBGQWEITK-SECBINFHSA-N 1 2 266.370 1.456 20 30 CDEDLO Cc1nsc(NCC[N@H+]2CCO[C@H](C)C2)c1C#N ZINC000575823824 317021910 /nfs/dbraw/zinc/02/19/10/317021910.db2.gz UTIWVWBGQWEITK-SECBINFHSA-N 1 2 266.370 1.456 20 30 CDEDLO C[C@]1(F)CC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000576584582 317167166 /nfs/dbraw/zinc/16/71/66/317167166.db2.gz JTRBFDIPLFVUMZ-ZDUSSCGKSA-N 1 2 259.288 1.535 20 30 CDEDLO C[C@]1(F)CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000576584582 317167168 /nfs/dbraw/zinc/16/71/68/317167168.db2.gz JTRBFDIPLFVUMZ-ZDUSSCGKSA-N 1 2 259.288 1.535 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3ccccc3O)CC2)nc1 ZINC000576692983 317187195 /nfs/dbraw/zinc/18/71/95/317187195.db2.gz QMDJUTNYPCDXGV-UHFFFAOYSA-N 1 2 294.358 1.981 20 30 CDEDLO Cc1ccn2cc(CNC(=O)NC[C@@H](C)C#N)[nH+]c2c1 ZINC000541019795 328040886 /nfs/dbraw/zinc/04/08/86/328040886.db2.gz VEIQJXUZCHIIOJ-NSHDSACASA-N 1 2 271.324 1.602 20 30 CDEDLO C#CCCS(=O)(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000377400576 329014076 /nfs/dbraw/zinc/01/40/76/329014076.db2.gz PUDDWYSDVCVAND-AWEZNQCLSA-N 1 2 278.377 1.116 20 30 CDEDLO C#CCCS(=O)(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000377400576 329014077 /nfs/dbraw/zinc/01/40/77/329014077.db2.gz PUDDWYSDVCVAND-AWEZNQCLSA-N 1 2 278.377 1.116 20 30 CDEDLO CC[N@H+](CCC#N)C[C@@H](O)COc1cccc(C(C)=O)c1 ZINC000267156871 328173447 /nfs/dbraw/zinc/17/34/47/328173447.db2.gz DTPYEUUTYPWZLZ-OAHLLOKOSA-N 1 2 290.363 1.864 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@@H](O)COc1cccc(C(C)=O)c1 ZINC000267156871 328173448 /nfs/dbraw/zinc/17/34/48/328173448.db2.gz DTPYEUUTYPWZLZ-OAHLLOKOSA-N 1 2 290.363 1.864 20 30 CDEDLO C=C1CC[NH+](CC(=O)Nc2c(C)nn(C)c2C)CC1 ZINC000518677509 327192286 /nfs/dbraw/zinc/19/22/86/327192286.db2.gz SEQXTCGNRNCNFN-UHFFFAOYSA-N 1 2 262.357 1.627 20 30 CDEDLO N#CCC[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000583626605 328720107 /nfs/dbraw/zinc/72/01/07/328720107.db2.gz XZIKKTBWIWQQGH-UHFFFAOYSA-N 1 2 293.801 1.183 20 30 CDEDLO C#CCCS(=O)(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000377339079 329011850 /nfs/dbraw/zinc/01/18/50/329011850.db2.gz GBHVXHRNUHAMHK-ZDUSSCGKSA-N 1 2 295.408 1.783 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000378345982 329046911 /nfs/dbraw/zinc/04/69/11/329046911.db2.gz ONJJVJDRUDNJJS-CQSZACIVSA-N 1 2 286.331 1.335 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000378345982 329046913 /nfs/dbraw/zinc/04/69/13/329046913.db2.gz ONJJVJDRUDNJJS-CQSZACIVSA-N 1 2 286.331 1.335 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)NCCCCC#N)[NH+]1CCOCC1 ZINC000171689534 329078359 /nfs/dbraw/zinc/07/83/59/329078359.db2.gz VITSVUPCIMYSHT-QWHCGFSZSA-N 1 2 282.388 1.089 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C1[C@@H]2CCC[C@H]12 ZINC000178274385 329195455 /nfs/dbraw/zinc/19/54/55/329195455.db2.gz NRXREOPAXIFUOU-YIONKMFJSA-N 1 2 291.395 1.107 20 30 CDEDLO C=CCCOCCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000179378888 329207020 /nfs/dbraw/zinc/20/70/20/329207020.db2.gz FYMLLFGUVWIFBI-UHFFFAOYSA-N 1 2 288.351 1.726 20 30 CDEDLO C=CC[N@@H+](C[C@@H]1CC[C@H](C)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000188548483 329369850 /nfs/dbraw/zinc/36/98/50/329369850.db2.gz JRKCYCLKKJCGLX-XQQFMLRXSA-N 1 2 273.398 1.229 20 30 CDEDLO C=CC[N@H+](C[C@@H]1CC[C@H](C)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000188548483 329369852 /nfs/dbraw/zinc/36/98/52/329369852.db2.gz JRKCYCLKKJCGLX-XQQFMLRXSA-N 1 2 273.398 1.229 20 30 CDEDLO C=C(Cl)CNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000269041352 330067360 /nfs/dbraw/zinc/06/73/60/330067360.db2.gz WZMPKWNTBOHKAM-UHFFFAOYSA-N 1 2 256.737 1.667 20 30 CDEDLO N#CCC1(O)C[NH+](C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000424130507 330261585 /nfs/dbraw/zinc/26/15/85/330261585.db2.gz FLPHBMYDJQHMPG-ZDUSSCGKSA-N 1 2 280.755 1.204 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cc(F)ccc2OC)nn1 ZINC000424175549 330316184 /nfs/dbraw/zinc/31/61/84/330316184.db2.gz VDHUROUHPKQOJK-UHFFFAOYSA-N 1 2 276.315 1.902 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000450117516 330962453 /nfs/dbraw/zinc/96/24/53/330962453.db2.gz UBSBZJAAAQMSKB-XGUBFFRZSA-N 1 2 289.379 1.884 20 30 CDEDLO C=CCOCCC[N@@H+]1CCc2[nH]nc(C(=O)OC)c2C1 ZINC000451743932 331040980 /nfs/dbraw/zinc/04/09/80/331040980.db2.gz KVVPBUHXIAOUEE-UHFFFAOYSA-N 1 2 279.340 1.147 20 30 CDEDLO C=CCOCCC[N@H+]1CCc2[nH]nc(C(=O)OC)c2C1 ZINC000451743932 331040981 /nfs/dbraw/zinc/04/09/81/331040981.db2.gz KVVPBUHXIAOUEE-UHFFFAOYSA-N 1 2 279.340 1.147 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457302971 331218484 /nfs/dbraw/zinc/21/84/84/331218484.db2.gz CCQAHQARERNWDC-MNOVXSKESA-N 1 2 281.381 1.734 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000457477472 331224130 /nfs/dbraw/zinc/22/41/30/331224130.db2.gz MIDINMOZGBWOTI-LBPRGKRZSA-N 1 2 288.351 1.461 20 30 CDEDLO CC(C)(CC#N)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000458039465 331241386 /nfs/dbraw/zinc/24/13/86/331241386.db2.gz IJMQFNDOXWURKK-UHFFFAOYSA-N 1 2 267.373 1.153 20 30 CDEDLO C#CC[N@H+](CC#CC)CCc1nnnn1-c1ccccc1 ZINC000490692057 332105136 /nfs/dbraw/zinc/10/51/36/332105136.db2.gz YECKQKRZDNKJCF-UHFFFAOYSA-N 1 2 279.347 1.163 20 30 CDEDLO C#CC[N@@H+](CC#CC)CCc1nnnn1-c1ccccc1 ZINC000490692057 332105138 /nfs/dbraw/zinc/10/51/38/332105138.db2.gz YECKQKRZDNKJCF-UHFFFAOYSA-N 1 2 279.347 1.163 20 30 CDEDLO C#C[C@H](CCC)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000490738511 332109688 /nfs/dbraw/zinc/10/96/88/332109688.db2.gz ASCQSWCOXGJMEP-UKRRQHHQSA-N 1 2 278.396 1.548 20 30 CDEDLO C#C[C@H](CCC)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000490738511 332109689 /nfs/dbraw/zinc/10/96/89/332109689.db2.gz ASCQSWCOXGJMEP-UKRRQHHQSA-N 1 2 278.396 1.548 20 30 CDEDLO C#CCN(CC#CC)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000490865874 332121958 /nfs/dbraw/zinc/12/19/58/332121958.db2.gz JQKNDDCVHWNGDR-OAHLLOKOSA-N 1 2 298.390 1.737 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CSCCCCC)CC1 ZINC000490916446 332128831 /nfs/dbraw/zinc/12/88/31/332128831.db2.gz SKBWXSCMPGKKLO-UHFFFAOYSA-N 1 2 268.426 1.687 20 30 CDEDLO C#CCN(C(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000491040538 332141750 /nfs/dbraw/zinc/14/17/50/332141750.db2.gz UQVSBFIKYVVCSN-ZDUSSCGKSA-N 1 2 286.379 1.785 20 30 CDEDLO C#CC[N@@H+](CCCCCC=C)[C@@H]1CCS(=O)(=O)C1 ZINC000491240580 332172066 /nfs/dbraw/zinc/17/20/66/332172066.db2.gz ATQXWAAGUSMDHO-CQSZACIVSA-N 1 2 269.410 1.855 20 30 CDEDLO C#CC[N@H+](CCCCCC=C)[C@@H]1CCS(=O)(=O)C1 ZINC000491240580 332172067 /nfs/dbraw/zinc/17/20/67/332172067.db2.gz ATQXWAAGUSMDHO-CQSZACIVSA-N 1 2 269.410 1.855 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cc[nH]c2)n1 ZINC000491287578 332181785 /nfs/dbraw/zinc/18/17/85/332181785.db2.gz MYOBSPVVSSYITE-UHFFFAOYSA-N 1 2 272.352 1.493 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cc[nH]c2)n1 ZINC000491287578 332181786 /nfs/dbraw/zinc/18/17/86/332181786.db2.gz MYOBSPVVSSYITE-UHFFFAOYSA-N 1 2 272.352 1.493 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000491427072 332209402 /nfs/dbraw/zinc/20/94/02/332209402.db2.gz ISSWVNFUPFRBIM-NSHDSACASA-N 1 2 275.308 1.795 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000491427072 332209403 /nfs/dbraw/zinc/20/94/03/332209403.db2.gz ISSWVNFUPFRBIM-NSHDSACASA-N 1 2 275.308 1.795 20 30 CDEDLO C#C[C@H](CC)NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000491430673 332210458 /nfs/dbraw/zinc/21/04/58/332210458.db2.gz ZENLWHAKZYCGON-NEPJUHHUSA-N 1 2 260.341 1.582 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@](C)(C2CCCC2)C1=O ZINC000491566927 332239185 /nfs/dbraw/zinc/23/91/85/332239185.db2.gz IVUVJJHQAIKOGE-IAQYHMDHSA-N 1 2 277.368 1.398 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@](C)(C2CCCC2)C1=O ZINC000491566927 332239186 /nfs/dbraw/zinc/23/91/86/332239186.db2.gz IVUVJJHQAIKOGE-IAQYHMDHSA-N 1 2 277.368 1.398 20 30 CDEDLO C#CC[NH+](CC#C)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000491665445 332274228 /nfs/dbraw/zinc/27/42/28/332274228.db2.gz ITJPOMTUFWZEEL-CQSZACIVSA-N 1 2 289.400 1.762 20 30 CDEDLO C#C[C@@H](CC)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000491706840 332299562 /nfs/dbraw/zinc/29/95/62/332299562.db2.gz KTBBYAQISAXECF-LBPRGKRZSA-N 1 2 260.341 1.359 20 30 CDEDLO C#CCN(Cc1c[nH+]cn1C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000491725410 332309433 /nfs/dbraw/zinc/30/94/33/332309433.db2.gz BIXGJMVGJQQTIE-ZDUSSCGKSA-N 1 2 295.408 1.086 20 30 CDEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@](C)(C#N)CCOC ZINC000493010561 332422639 /nfs/dbraw/zinc/42/26/39/332422639.db2.gz YMLGELWERXAJGL-GJBLVYBDSA-N 1 2 276.340 1.351 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\SCc1ccco1 ZINC000493653962 332448709 /nfs/dbraw/zinc/44/87/09/332448709.db2.gz NVBWNDRLRHDNGG-IQCBXXCUSA-N 1 2 293.392 1.987 20 30 CDEDLO CCn1cc[nH+]c1/C=C/C(=O)NCC1(CC#N)CC1 ZINC000493661953 332448982 /nfs/dbraw/zinc/44/89/82/332448982.db2.gz YIYJTYFVVZYETL-ONEGZZNKSA-N 1 2 258.325 1.726 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1ccccc1 ZINC000493717668 332451078 /nfs/dbraw/zinc/45/10/78/332451078.db2.gz GDRUMDNFYNYHOQ-KVPUOBJLSA-N 1 2 257.337 1.660 20 30 CDEDLO C[C@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H](CO)O1 ZINC000190098012 333202948 /nfs/dbraw/zinc/20/29/48/333202948.db2.gz QLDXENNBKNNZRT-SWLSCSKDSA-N 1 2 263.312 1.259 20 30 CDEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H](CO)O1 ZINC000190098012 333202949 /nfs/dbraw/zinc/20/29/49/333202949.db2.gz QLDXENNBKNNZRT-SWLSCSKDSA-N 1 2 263.312 1.259 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000522138213 333248685 /nfs/dbraw/zinc/24/86/85/333248685.db2.gz OTRNBWNJQOMRPX-ZIAGYGMSSA-N 1 2 274.368 1.517 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000522138213 333248686 /nfs/dbraw/zinc/24/86/86/333248686.db2.gz OTRNBWNJQOMRPX-ZIAGYGMSSA-N 1 2 274.368 1.517 20 30 CDEDLO C=CCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000193937677 333261229 /nfs/dbraw/zinc/26/12/29/333261229.db2.gz XJWHCNCYJZLSOI-UHFFFAOYSA-N 1 2 270.292 1.113 20 30 CDEDLO C[C@H](CC#N)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000194711161 333276030 /nfs/dbraw/zinc/27/60/30/333276030.db2.gz JSGXTFBNPXYXGA-LLVKDONJSA-N 1 2 254.293 1.904 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000250042196 333301772 /nfs/dbraw/zinc/30/17/72/333301772.db2.gz FKQLNCNKNIFBEO-SWLSCSKDSA-N 1 2 281.400 1.540 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000250042196 333301774 /nfs/dbraw/zinc/30/17/74/333301774.db2.gz FKQLNCNKNIFBEO-SWLSCSKDSA-N 1 2 281.400 1.540 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCCc1c[nH+]cn1C)OCC ZINC000548133087 334141523 /nfs/dbraw/zinc/14/15/23/334141523.db2.gz MDXJXHIIGVBDCV-CYBMUJFWSA-N 1 2 265.357 1.450 20 30 CDEDLO N#CCC1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000568586590 334831427 /nfs/dbraw/zinc/83/14/27/334831427.db2.gz ITUPJEHIRMRRAI-NSHDSACASA-N 1 2 258.325 1.256 20 30 CDEDLO CC(C)Cn1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cn1 ZINC000576402156 335199323 /nfs/dbraw/zinc/19/93/23/335199323.db2.gz BQMGOBZDUAQGIT-CQSZACIVSA-N 1 2 277.372 1.113 20 30 CDEDLO CC(=O)Nc1cccc(OC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000577735609 335394505 /nfs/dbraw/zinc/39/45/05/335394505.db2.gz NFYRQLQOUFKBMT-CQSZACIVSA-N 1 2 291.351 1.230 20 30 CDEDLO CC(=O)Nc1cccc(OC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000577735609 335394506 /nfs/dbraw/zinc/39/45/06/335394506.db2.gz NFYRQLQOUFKBMT-CQSZACIVSA-N 1 2 291.351 1.230 20 30 CDEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cc(C)no1 ZINC000579489594 335772919 /nfs/dbraw/zinc/77/29/19/335772919.db2.gz AFVNSRSKHNNVAI-VHSXEESVSA-N 1 2 250.302 1.592 20 30 CDEDLO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2ccn[nH]2)cc1 ZINC000581246187 336031294 /nfs/dbraw/zinc/03/12/94/336031294.db2.gz LHBHWAVHECGZOY-CQSZACIVSA-N 1 2 286.335 1.005 20 30 CDEDLO C=C[C@@](C)(O)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000668794628 482325652 /nfs/dbraw/zinc/32/56/52/482325652.db2.gz MTFBCJJQQDELRK-SWLSCSKDSA-N 1 2 298.333 1.621 20 30 CDEDLO C=C[C@](C)(O)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000666358378 482667813 /nfs/dbraw/zinc/66/78/13/482667813.db2.gz GMWPNWVTADABBX-INIZCTEOSA-N 1 2 287.363 1.788 20 30 CDEDLO COCC#CC[N@@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000682777594 483348823 /nfs/dbraw/zinc/34/88/23/483348823.db2.gz DMGKGXQCCNVIRN-AWEZNQCLSA-N 1 2 276.355 1.986 20 30 CDEDLO COCC#CC[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000682777594 483348825 /nfs/dbraw/zinc/34/88/25/483348825.db2.gz DMGKGXQCCNVIRN-AWEZNQCLSA-N 1 2 276.355 1.986 20 30 CDEDLO N#Cc1cc(N[C@@H]2CCC[N@@H+](C3COC3)C2)ncc1Cl ZINC001168366729 1160774871 /nfs/dbraw/zinc/77/48/71/1160774871.db2.gz FARVONUGQMJXEX-LLVKDONJSA-N 1 2 292.770 1.882 20 30 CDEDLO N#Cc1cc(N[C@@H]2CCC[N@H+](C3COC3)C2)ncc1Cl ZINC001168366729 1160774875 /nfs/dbraw/zinc/77/48/75/1160774875.db2.gz FARVONUGQMJXEX-LLVKDONJSA-N 1 2 292.770 1.882 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cn[nH]c1 ZINC001725155560 1181887916 /nfs/dbraw/zinc/88/79/16/1181887916.db2.gz NAZXMEWUULPNPC-VIFPVBQESA-N 1 2 256.737 1.212 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cn[nH]c1 ZINC001725155560 1181887926 /nfs/dbraw/zinc/88/79/26/1181887926.db2.gz NAZXMEWUULPNPC-VIFPVBQESA-N 1 2 256.737 1.212 20 30 CDEDLO C=CC[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000820449605 1161920226 /nfs/dbraw/zinc/92/02/26/1161920226.db2.gz BQIZNMKITNICHQ-ZWNOBZJWSA-N 1 2 262.357 1.871 20 30 CDEDLO C=CC[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000820449605 1161920228 /nfs/dbraw/zinc/92/02/28/1161920228.db2.gz BQIZNMKITNICHQ-ZWNOBZJWSA-N 1 2 262.357 1.871 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@@H+](C)CC(=O)N(C)C(C)C ZINC001753067406 1185035837 /nfs/dbraw/zinc/03/58/37/1185035837.db2.gz DINGYBRAARZVDP-UHFFFAOYSA-N 1 2 297.443 1.504 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@H+](C)CC(=O)N(C)C(C)C ZINC001753067406 1185035840 /nfs/dbraw/zinc/03/58/40/1185035840.db2.gz DINGYBRAARZVDP-UHFFFAOYSA-N 1 2 297.443 1.504 20 30 CDEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H](C)C#N)c1 ZINC000334864662 534241803 /nfs/dbraw/zinc/24/18/03/534241803.db2.gz RGHFEVMXRUBZKK-LLVKDONJSA-N 1 2 254.293 1.823 20 30 CDEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H](C)C#N)c1 ZINC000336139812 534242277 /nfs/dbraw/zinc/24/22/77/534242277.db2.gz RGHFEVMXRUBZKK-NSHDSACASA-N 1 2 254.293 1.823 20 30 CDEDLO C#CCOc1ccc(C[NH2+]CC(F)(F)CO)cc1 ZINC000183870104 518325447 /nfs/dbraw/zinc/32/54/47/518325447.db2.gz KDNRJCYKFZPLRM-UHFFFAOYSA-N 1 2 255.264 1.416 20 30 CDEDLO C=CCCCCC[NH+]1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC001113520058 1162202795 /nfs/dbraw/zinc/20/27/95/1162202795.db2.gz JYKBBRFGQQJYEG-UHFFFAOYSA-N 1 2 291.399 1.238 20 30 CDEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N(C)C ZINC000352815056 526561168 /nfs/dbraw/zinc/56/11/68/526561168.db2.gz KZTFVXULUUQPCI-GFCCVEGCSA-N 1 2 280.368 1.627 20 30 CDEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N(C)C ZINC000352815056 526561171 /nfs/dbraw/zinc/56/11/71/526561171.db2.gz KZTFVXULUUQPCI-GFCCVEGCSA-N 1 2 280.368 1.627 20 30 CDEDLO Cc1[nH+]c(C(C)C)ccc1Cn1cncc(C#N)c1=O ZINC000338573944 526669047 /nfs/dbraw/zinc/66/90/47/526669047.db2.gz YGPLLWAZSNYOOT-UHFFFAOYSA-N 1 2 268.320 1.990 20 30 CDEDLO C=CC1CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000111786389 526965026 /nfs/dbraw/zinc/96/50/26/526965026.db2.gz XSODHQWLUKGVOW-UHFFFAOYSA-N 1 2 262.357 1.881 20 30 CDEDLO C=CCCC1(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000356115452 527084047 /nfs/dbraw/zinc/08/40/47/527084047.db2.gz UDJGPGIWTAIFEN-UHFFFAOYSA-N 1 2 288.395 1.800 20 30 CDEDLO O=C(NC[C@@H]1CCCCO1)N1CCn2cc[nH+]c2C1 ZINC000329862731 574441650 /nfs/dbraw/zinc/44/16/50/574441650.db2.gz YSMZMCRMCSXRIK-NSHDSACASA-N 1 2 264.329 1.182 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000728799778 574648209 /nfs/dbraw/zinc/64/82/09/574648209.db2.gz VMXGIWSCNCUZOV-UHFFFAOYSA-N 1 2 292.342 1.420 20 30 CDEDLO C#Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)cn1 ZINC000728810245 574649609 /nfs/dbraw/zinc/64/96/09/574649609.db2.gz WFPPWOJMCBRNAV-UHFFFAOYSA-N 1 2 289.298 1.896 20 30 CDEDLO C=CCOCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000729346153 574752146 /nfs/dbraw/zinc/75/21/46/574752146.db2.gz IHJNMQWOOCUTPT-UHFFFAOYSA-N 1 2 271.320 1.691 20 30 CDEDLO Cc1cc(N[NH+]=Cc2ccc(N(C)CCO)cc2)ncn1 ZINC000731935434 575072803 /nfs/dbraw/zinc/07/28/03/575072803.db2.gz YTLLQRGGYYDZTR-UHFFFAOYSA-N 1 2 285.351 1.660 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732875333 575098336 /nfs/dbraw/zinc/09/83/36/575098336.db2.gz SYZZZMMNFMKOEQ-QMMMGPOBSA-N 1 2 270.682 1.834 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732875333 575098337 /nfs/dbraw/zinc/09/83/37/575098337.db2.gz SYZZZMMNFMKOEQ-QMMMGPOBSA-N 1 2 270.682 1.834 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+]CC(=O)Nc1ccc(F)c(F)c1 ZINC000732917815 575098901 /nfs/dbraw/zinc/09/89/01/575098901.db2.gz MUDZFBIHJZGZQA-SNVBAGLBSA-N 1 2 292.289 1.936 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732984748 575099839 /nfs/dbraw/zinc/09/98/39/575099839.db2.gz BJAMNOSKZNVLAZ-CQSZACIVSA-N 1 2 278.302 1.851 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732984748 575099840 /nfs/dbraw/zinc/09/98/40/575099840.db2.gz BJAMNOSKZNVLAZ-CQSZACIVSA-N 1 2 278.302 1.851 20 30 CDEDLO C[C@H](C#N)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000733891018 575144529 /nfs/dbraw/zinc/14/45/29/575144529.db2.gz JTWUKHXTGLWELQ-SNVBAGLBSA-N 1 2 255.281 1.043 20 30 CDEDLO COCCCNC(=S)NN=CCCc1ccc(C)[nH+]c1 ZINC000774341481 575200398 /nfs/dbraw/zinc/20/03/98/575200398.db2.gz BSVKLMDCMVZXRI-UHFFFAOYSA-N 1 2 294.424 1.809 20 30 CDEDLO CC(=[NH+]NC(=S)N(C)C)c1ccccc1N(C)C ZINC000769586459 575362090 /nfs/dbraw/zinc/36/20/90/575362090.db2.gz PPFHAHALQGEEII-UHFFFAOYSA-N 1 2 264.398 1.913 20 30 CDEDLO C=CC[C@@H](NC(=O)NCc1[nH+]ccn1C)c1ccncc1 ZINC000734667622 575369605 /nfs/dbraw/zinc/36/96/05/575369605.db2.gz JSCFCVCJNOWKMO-CYBMUJFWSA-N 1 2 285.351 1.932 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC(O)(C(C)C)C1 ZINC000773894058 575818651 /nfs/dbraw/zinc/81/86/51/575818651.db2.gz RICNKCCONBPXNP-OCCSQVGLSA-N 1 2 281.400 1.132 20 30 CDEDLO CC(C)[C@@H](C(=O)OCC#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000741021396 576531950 /nfs/dbraw/zinc/53/19/50/576531950.db2.gz PJEDNSUWLIXAOY-TUAOUCFPSA-N 1 2 254.330 1.187 20 30 CDEDLO CC(C)[C@@H](C(=O)OCC#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000741021396 576531952 /nfs/dbraw/zinc/53/19/52/576531952.db2.gz PJEDNSUWLIXAOY-TUAOUCFPSA-N 1 2 254.330 1.187 20 30 CDEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000761059600 576539733 /nfs/dbraw/zinc/53/97/33/576539733.db2.gz XMSANUAHYIZNNU-VXGBXAGGSA-N 1 2 297.280 1.969 20 30 CDEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000761059600 576539736 /nfs/dbraw/zinc/53/97/36/576539736.db2.gz XMSANUAHYIZNNU-VXGBXAGGSA-N 1 2 297.280 1.969 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCC(=O)[C@H](C)C2)CC1 ZINC000763989808 576771489 /nfs/dbraw/zinc/77/14/89/576771489.db2.gz DMTJEGCOHXQFBM-ZIAGYGMSSA-N 1 2 276.380 1.159 20 30 CDEDLO COCC(N=NC1=[NH+][C@@H]2CCCC[C@H]2N1)C1CC1 ZINC000753936030 576867277 /nfs/dbraw/zinc/86/72/77/576867277.db2.gz QJOVJQPEVHYJFI-GHMZBOCLSA-N 1 2 250.346 1.259 20 30 CDEDLO Cc1cc(C)n(-c2nncn2[NH+]=C2C[C@@H](C)N(C3CC3)C2)n1 ZINC000753954530 576869325 /nfs/dbraw/zinc/86/93/25/576869325.db2.gz DXPQXZWVRPZMRH-LLVKDONJSA-N 1 2 299.382 1.541 20 30 CDEDLO C[C@H]1CC(=NNc2cnnc(O)c2Cl)C[N@@H+]1C1CC1 ZINC000753955695 576869590 /nfs/dbraw/zinc/86/95/90/576869590.db2.gz PTULKHFXMMFIMG-ZETCQYMHSA-N 1 2 281.747 1.860 20 30 CDEDLO C[C@H]1CC(=NNc2cnnc(O)c2Cl)C[N@H+]1C1CC1 ZINC000753955695 576869592 /nfs/dbraw/zinc/86/95/92/576869592.db2.gz PTULKHFXMMFIMG-ZETCQYMHSA-N 1 2 281.747 1.860 20 30 CDEDLO O=[N+]([O-])c1ccc(N=NCc2c[nH+]c[nH]2)c([N+](=O)[O-])c1 ZINC000755463515 576945938 /nfs/dbraw/zinc/94/59/38/576945938.db2.gz DIXGVRINQPOQHF-UHFFFAOYSA-N 1 2 276.212 1.672 20 30 CDEDLO O=[N+]([O-])c1ccc(N=NCc2c[nH]c[nH+]2)c([N+](=O)[O-])c1 ZINC000755463515 576945939 /nfs/dbraw/zinc/94/59/39/576945939.db2.gz DIXGVRINQPOQHF-UHFFFAOYSA-N 1 2 276.212 1.672 20 30 CDEDLO Cc1ccc(C)c(S(=O)(=O)NN=C2C[N@@H+](C)C[C@@H]2C)c1 ZINC000752156041 577090766 /nfs/dbraw/zinc/09/07/66/577090766.db2.gz WGOWKHYGLWRTHI-LBPRGKRZSA-N 1 2 295.408 1.519 20 30 CDEDLO Cc1ccc(C)c(S(=O)(=O)NN=C2C[N@H+](C)C[C@@H]2C)c1 ZINC000752156041 577090768 /nfs/dbraw/zinc/09/07/68/577090768.db2.gz WGOWKHYGLWRTHI-LBPRGKRZSA-N 1 2 295.408 1.519 20 30 CDEDLO C#C[C@@H](CC)NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000753120504 577147502 /nfs/dbraw/zinc/14/75/02/577147502.db2.gz HLNUTETVIFWUTR-LBPRGKRZSA-N 1 2 275.352 1.918 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(CC#N)cc2)CC1 ZINC000759101062 577152608 /nfs/dbraw/zinc/15/26/08/577152608.db2.gz GLDMSTJUKKIYFR-UHFFFAOYSA-N 1 2 267.332 1.144 20 30 CDEDLO CNC(=S)N[NH+]=C(C)c1ccc(F)cc1N(C)C ZINC000759180032 577157862 /nfs/dbraw/zinc/15/78/62/577157862.db2.gz VIKJNTVKKUGONG-UHFFFAOYSA-N 1 2 268.361 1.710 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(C)=O)C[C@@H]1C ZINC000946932860 613235530 /nfs/dbraw/zinc/23/55/30/613235530.db2.gz NVOZIWFMYJIZJW-GXSJLCMTSA-N 1 2 275.190 1.884 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(C)=O)C[C@@H]1C ZINC000946932860 613235534 /nfs/dbraw/zinc/23/55/34/613235534.db2.gz NVOZIWFMYJIZJW-GXSJLCMTSA-N 1 2 275.190 1.884 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(F)c[nH]2)C1 ZINC000950906184 612991830 /nfs/dbraw/zinc/99/18/30/612991830.db2.gz MFYZDGSNEHXZFI-UHFFFAOYSA-N 1 2 263.316 1.323 20 30 CDEDLO CC[N@H+](CCC#N)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000821207628 606189101 /nfs/dbraw/zinc/18/91/01/606189101.db2.gz RGBMOFHYEPQGBL-UHFFFAOYSA-N 1 2 274.303 1.741 20 30 CDEDLO CC[N@@H+](CCC#N)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000821207628 606189102 /nfs/dbraw/zinc/18/91/02/606189102.db2.gz RGBMOFHYEPQGBL-UHFFFAOYSA-N 1 2 274.303 1.741 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820220222 606660293 /nfs/dbraw/zinc/66/02/93/606660293.db2.gz OOLRWYWFDHLQQH-LLVKDONJSA-N 1 2 286.339 1.479 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820220222 606660294 /nfs/dbraw/zinc/66/02/94/606660294.db2.gz OOLRWYWFDHLQQH-LLVKDONJSA-N 1 2 286.339 1.479 20 30 CDEDLO CC[N@H+](CCC#N)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821206554 607067583 /nfs/dbraw/zinc/06/75/83/607067583.db2.gz CXWOHBUHSJUZRW-UHFFFAOYSA-N 1 2 274.303 1.741 20 30 CDEDLO CC[N@@H+](CCC#N)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821206554 607067585 /nfs/dbraw/zinc/06/75/85/607067585.db2.gz CXWOHBUHSJUZRW-UHFFFAOYSA-N 1 2 274.303 1.741 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc3cccnn32)C1 ZINC000952423350 612991993 /nfs/dbraw/zinc/99/19/93/612991993.db2.gz XOOWSFMCIQBHNB-UHFFFAOYSA-N 1 2 296.374 1.504 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(OC)o2)C1 ZINC000957035056 612992166 /nfs/dbraw/zinc/99/21/66/612992166.db2.gz YVPAADUTKLQXEN-UHFFFAOYSA-N 1 2 276.336 1.458 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccccc2OC)C1 ZINC000957312217 612992527 /nfs/dbraw/zinc/99/25/27/612992527.db2.gz XLCDNFNYSZYZJD-UHFFFAOYSA-N 1 2 286.375 1.865 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2coc(C(F)F)c2)CC1 ZINC000981828284 613159757 /nfs/dbraw/zinc/15/97/57/613159757.db2.gz JDYJHOUETVQLSY-UHFFFAOYSA-N 1 2 282.290 1.998 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2coc(C(F)F)c2)CC1 ZINC000981828284 613159759 /nfs/dbraw/zinc/15/97/59/613159759.db2.gz JDYJHOUETVQLSY-UHFFFAOYSA-N 1 2 282.290 1.998 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2nc(Cl)sc2C)CC1 ZINC000981597990 613160418 /nfs/dbraw/zinc/16/04/18/613160418.db2.gz HZPIVIGTNLKZFB-UHFFFAOYSA-N 1 2 297.811 1.886 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2nc(Cl)sc2C)CC1 ZINC000981597990 613160422 /nfs/dbraw/zinc/16/04/22/613160422.db2.gz HZPIVIGTNLKZFB-UHFFFAOYSA-N 1 2 297.811 1.886 20 30 CDEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc[nH]c1 ZINC000948919609 613279862 /nfs/dbraw/zinc/27/98/62/613279862.db2.gz LXELMDWODOGFBX-QGZVFWFLSA-N 1 2 293.370 1.977 20 30 CDEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc[nH]c1 ZINC000948919609 613279864 /nfs/dbraw/zinc/27/98/64/613279864.db2.gz LXELMDWODOGFBX-QGZVFWFLSA-N 1 2 293.370 1.977 20 30 CDEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC000948905866 613279934 /nfs/dbraw/zinc/27/99/34/613279934.db2.gz DYXJSBRRLAWDTI-SJORKVTESA-N 1 2 298.386 1.514 20 30 CDEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC000948905866 613279936 /nfs/dbraw/zinc/27/99/36/613279936.db2.gz DYXJSBRRLAWDTI-SJORKVTESA-N 1 2 298.386 1.514 20 30 CDEDLO C=C(C)C[NH+]1CC([C@H](C)NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC000970861291 613303091 /nfs/dbraw/zinc/30/30/91/613303091.db2.gz NUIPUVNZNMFFNP-NSHDSACASA-N 1 2 299.378 1.584 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cn3nccc3nc2C)CC1 ZINC000956961155 613321394 /nfs/dbraw/zinc/32/13/94/613321394.db2.gz OOPNVHSRLAAEHX-UHFFFAOYSA-N 1 2 299.378 1.372 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CCc2nnc[nH]2)C1 ZINC000971298052 613369673 /nfs/dbraw/zinc/36/96/73/613369673.db2.gz MIYMUYXHRJFADM-NSHDSACASA-N 1 2 297.790 1.023 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CCc2nnc[nH]2)C1 ZINC000971298052 613369674 /nfs/dbraw/zinc/36/96/74/613369674.db2.gz MIYMUYXHRJFADM-NSHDSACASA-N 1 2 297.790 1.023 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2=CCOCC2)C1 ZINC000969545948 613371382 /nfs/dbraw/zinc/37/13/82/613371382.db2.gz HDIUALTYJYMBJJ-LLVKDONJSA-N 1 2 284.787 1.522 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000970281439 613372208 /nfs/dbraw/zinc/37/22/08/613372208.db2.gz CHYYVWIATLOYAH-FTYKPCCVSA-N 1 2 284.787 1.068 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cn2cc(C)cn2)CC1 ZINC000980789980 613373372 /nfs/dbraw/zinc/37/33/72/613373372.db2.gz KGFWSFSZZOUHHT-UHFFFAOYSA-N 1 2 296.802 1.478 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cn2cc(C)cn2)CC1 ZINC000980789980 613373373 /nfs/dbraw/zinc/37/33/73/613373373.db2.gz KGFWSFSZZOUHHT-UHFFFAOYSA-N 1 2 296.802 1.478 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cccn2)C1 ZINC000965152907 613375831 /nfs/dbraw/zinc/37/58/31/613375831.db2.gz PQSZJWRPOKPPOL-DGCLKSJQSA-N 1 2 296.802 1.462 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cccn2)C1 ZINC000965152907 613375832 /nfs/dbraw/zinc/37/58/32/613375832.db2.gz PQSZJWRPOKPPOL-DGCLKSJQSA-N 1 2 296.802 1.462 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCO2)C(C)(C)C1 ZINC000972790305 613379944 /nfs/dbraw/zinc/37/99/44/613379944.db2.gz XKBUMKVARWRJRB-NWDGAFQWSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCO2)C(C)(C)C1 ZINC000972790305 613379945 /nfs/dbraw/zinc/37/99/45/613379945.db2.gz XKBUMKVARWRJRB-NWDGAFQWSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccn(C)n2)C(C)(C)C1 ZINC000977589794 613381130 /nfs/dbraw/zinc/38/11/30/613381130.db2.gz RGUKVTVLABIYBD-LBPRGKRZSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccn(C)n2)C(C)(C)C1 ZINC000977589794 613381131 /nfs/dbraw/zinc/38/11/31/613381131.db2.gz RGUKVTVLABIYBD-LBPRGKRZSA-N 1 2 296.802 1.613 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCc2ccc(F)cc2)CC1 ZINC000949137030 613561710 /nfs/dbraw/zinc/56/17/10/613561710.db2.gz FJSFXFWGUBFGSA-UHFFFAOYSA-N 1 2 288.366 1.926 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3=CCCC3)C2)C1 ZINC000972339219 613571201 /nfs/dbraw/zinc/57/12/01/613571201.db2.gz NSRKFWHPJCXQEO-QGZVFWFLSA-N 1 2 288.391 1.423 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3=CCCC3)C2)C1 ZINC000972339219 613571202 /nfs/dbraw/zinc/57/12/02/613571202.db2.gz NSRKFWHPJCXQEO-QGZVFWFLSA-N 1 2 288.391 1.423 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccns2)C1 ZINC000966494478 613575921 /nfs/dbraw/zinc/57/59/21/613575921.db2.gz XMZJCTGCXVCORC-VXGBXAGGSA-N 1 2 277.393 1.607 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccns2)C1 ZINC000966494478 613575925 /nfs/dbraw/zinc/57/59/25/613575925.db2.gz XMZJCTGCXVCORC-VXGBXAGGSA-N 1 2 277.393 1.607 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCCO[C@H]2C)C1 ZINC000949963008 613655418 /nfs/dbraw/zinc/65/54/18/613655418.db2.gz ONWLCFQUSNGMMR-JSGCOSHPSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC000957413742 613655983 /nfs/dbraw/zinc/65/59/83/613655983.db2.gz STVVDRVAEHJXDU-LBPRGKRZSA-N 1 2 288.395 1.233 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2CCCCN2C(C)=O)CC1 ZINC000951715461 613708706 /nfs/dbraw/zinc/70/87/06/613708706.db2.gz QPQCVVOWESSALW-HNNXBMFYSA-N 1 2 293.411 1.108 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC000950593655 613711699 /nfs/dbraw/zinc/71/16/99/613711699.db2.gz HFLXVKUMVKOHDC-ZIAGYGMSSA-N 1 2 250.386 1.999 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@]2(C)CCO[C@@H]2C)CC1 ZINC000949448058 613712225 /nfs/dbraw/zinc/71/22/25/613712225.db2.gz ROGDLSYWOQKVRU-OCCSQVGLSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2OCCc3ccccc32)CC1 ZINC000949587087 613713565 /nfs/dbraw/zinc/71/35/65/613713565.db2.gz XOOUFDSIWLCCQG-INIZCTEOSA-N 1 2 286.375 1.631 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c(Cl)n[nH]c2C2CC2)CC1 ZINC000948709152 613713925 /nfs/dbraw/zinc/71/39/25/613713925.db2.gz KSWFDTGMWIZBTP-UHFFFAOYSA-N 1 2 294.786 1.884 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2[nH]ccc2C2CC2)CC1 ZINC000948698681 613714090 /nfs/dbraw/zinc/71/40/90/613714090.db2.gz OQAHXLWGOGYAIM-UHFFFAOYSA-N 1 2 259.353 1.836 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc3[nH]c(=O)oc32)CC1 ZINC000957963974 613716792 /nfs/dbraw/zinc/71/67/92/613716792.db2.gz VHCSWKCQOKGZTD-UHFFFAOYSA-N 1 2 287.319 1.477 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccnc2-n2cccn2)CC1 ZINC000949583633 613717503 /nfs/dbraw/zinc/71/75/03/613717503.db2.gz STPUUPJACXTVKB-UHFFFAOYSA-N 1 2 297.362 1.211 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2nncc3ccccc32)CC1 ZINC000949241396 613719176 /nfs/dbraw/zinc/71/91/76/613719176.db2.gz UYVKKLRKZNFITJ-UHFFFAOYSA-N 1 2 282.347 1.574 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CCCC3)C2)C1 ZINC000972212403 613722251 /nfs/dbraw/zinc/72/22/51/613722251.db2.gz VCTXOGRSUKBAOK-INIZCTEOSA-N 1 2 278.396 1.666 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CCCC3)C2)C1 ZINC000972212403 613722255 /nfs/dbraw/zinc/72/22/55/613722255.db2.gz VCTXOGRSUKBAOK-INIZCTEOSA-N 1 2 278.396 1.666 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccoc3)C2)C1 ZINC000972354767 613723720 /nfs/dbraw/zinc/72/37/20/613723720.db2.gz FRPAQZMVASQDFM-INIZCTEOSA-N 1 2 290.363 1.311 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccoc3)C2)C1 ZINC000972354767 613723721 /nfs/dbraw/zinc/72/37/21/613723721.db2.gz FRPAQZMVASQDFM-INIZCTEOSA-N 1 2 290.363 1.311 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cncs3)C2)C1 ZINC000972282862 613727746 /nfs/dbraw/zinc/72/77/46/613727746.db2.gz WWVNSSKXBONDNN-CQSZACIVSA-N 1 2 293.392 1.246 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cncs3)C2)C1 ZINC000972282862 613727748 /nfs/dbraw/zinc/72/77/48/613727748.db2.gz WWVNSSKXBONDNN-CQSZACIVSA-N 1 2 293.392 1.246 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C#C)cc1 ZINC000891313792 617418032 /nfs/dbraw/zinc/41/80/32/617418032.db2.gz YMLDVFIJPAJKHY-HNNXBMFYSA-N 1 2 252.317 1.704 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C#C)cc1 ZINC000891313792 617418033 /nfs/dbraw/zinc/41/80/33/617418033.db2.gz YMLDVFIJPAJKHY-HNNXBMFYSA-N 1 2 252.317 1.704 20 30 CDEDLO CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC000957967979 614462547 /nfs/dbraw/zinc/46/25/47/614462547.db2.gz URMVQXCSXJYMTA-FOLVSLTJSA-N 1 2 287.338 1.654 20 30 CDEDLO CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC000957967979 614462550 /nfs/dbraw/zinc/46/25/50/614462550.db2.gz URMVQXCSXJYMTA-FOLVSLTJSA-N 1 2 287.338 1.654 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1c(Cl)c(C)nn1C)[C@@H]1CCCO1 ZINC000893676877 617830330 /nfs/dbraw/zinc/83/03/30/617830330.db2.gz PDMZXJFQZFGFES-PWSUYJOCSA-N 1 2 267.760 1.652 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000894066474 618333096 /nfs/dbraw/zinc/33/30/96/618333096.db2.gz COFIRPDGDRFSPQ-UTUOFQBUSA-N 1 2 278.356 1.415 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000894066474 618333113 /nfs/dbraw/zinc/33/31/13/618333113.db2.gz COFIRPDGDRFSPQ-UTUOFQBUSA-N 1 2 278.356 1.415 20 30 CDEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902048061 618517308 /nfs/dbraw/zinc/51/73/08/618517308.db2.gz CGANWELJNFMTME-KBPBESRZSA-N 1 2 255.321 1.426 20 30 CDEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902048061 618517312 /nfs/dbraw/zinc/51/73/12/618517312.db2.gz CGANWELJNFMTME-KBPBESRZSA-N 1 2 255.321 1.426 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2c3c(nn2C)CCC3)C1=O ZINC000894231408 618740244 /nfs/dbraw/zinc/74/02/44/618740244.db2.gz PLGYHKSUUIMGNJ-CQSZACIVSA-N 1 2 288.395 1.128 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2c3c(nn2C)CCC3)C1=O ZINC000894231408 618740246 /nfs/dbraw/zinc/74/02/46/618740246.db2.gz PLGYHKSUUIMGNJ-CQSZACIVSA-N 1 2 288.395 1.128 20 30 CDEDLO COC(=O)COc1ccccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000895450206 619672415 /nfs/dbraw/zinc/67/24/15/619672415.db2.gz CTERPFCTZXAUJW-INIZCTEOSA-N 1 2 288.347 1.974 20 30 CDEDLO COC(=O)COc1ccccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000895450206 619672416 /nfs/dbraw/zinc/67/24/16/619672416.db2.gz CTERPFCTZXAUJW-INIZCTEOSA-N 1 2 288.347 1.974 20 30 CDEDLO C=CCSCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000895958295 619922402 /nfs/dbraw/zinc/92/24/02/619922402.db2.gz MUEFJISLOVOOOG-ZDUSSCGKSA-N 1 2 294.424 1.825 20 30 CDEDLO C=CCSCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000895958295 619922405 /nfs/dbraw/zinc/92/24/05/619922405.db2.gz MUEFJISLOVOOOG-ZDUSSCGKSA-N 1 2 294.424 1.825 20 30 CDEDLO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000896505555 620121767 /nfs/dbraw/zinc/12/17/67/620121767.db2.gz NVNFDZUAVNKHGD-CQSZACIVSA-N 1 2 288.347 1.974 20 30 CDEDLO COC(=O)COc1ccc(C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC000896505555 620121769 /nfs/dbraw/zinc/12/17/69/620121769.db2.gz NVNFDZUAVNKHGD-CQSZACIVSA-N 1 2 288.347 1.974 20 30 CDEDLO N#Cc1cccc(C2=NN(C3CC[NH2+]CC3)C(=O)C2)c1 ZINC000899364000 622205710 /nfs/dbraw/zinc/20/57/10/622205710.db2.gz JJOANHLASZSKOP-UHFFFAOYSA-N 1 2 268.320 1.247 20 30 CDEDLO N#Cc1cccc(-c2cc(=O)n(C3CC[NH2+]CC3)[nH]2)c1 ZINC000899364000 622205718 /nfs/dbraw/zinc/20/57/18/622205718.db2.gz JJOANHLASZSKOP-UHFFFAOYSA-N 1 2 268.320 1.247 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1=O)C1CC1 ZINC000902210659 624566912 /nfs/dbraw/zinc/56/69/12/624566912.db2.gz OSOYEOJOCAGKBW-NVNVUAJTSA-N 1 2 286.375 1.792 20 30 CDEDLO C=CC[N@H+](CN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1=O)C1CC1 ZINC000902210659 624566914 /nfs/dbraw/zinc/56/69/14/624566914.db2.gz OSOYEOJOCAGKBW-NVNVUAJTSA-N 1 2 286.375 1.792 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C(C)=O)c[nH]2)C1 ZINC000902729658 625277445 /nfs/dbraw/zinc/27/74/45/625277445.db2.gz KVANXZJOHHCAOX-CYBMUJFWSA-N 1 2 273.336 1.045 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C(C)=O)c[nH]2)C1 ZINC000902729658 625277452 /nfs/dbraw/zinc/27/74/52/625277452.db2.gz KVANXZJOHHCAOX-CYBMUJFWSA-N 1 2 273.336 1.045 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CNc1cccc[nH+]1 ZINC000907949553 627918520 /nfs/dbraw/zinc/91/85/20/627918520.db2.gz XWAUOBIXQIFWTN-WFASDCNBSA-N 1 2 275.352 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N#C[C@@H]1CCC[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC001606346185 1163870646 /nfs/dbraw/zinc/87/06/46/1163870646.db2.gz XQGUPMLJSVJQJK-LBPRGKRZSA-N 1 2 298.350 1.481 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC001606346185 1163870649 /nfs/dbraw/zinc/87/06/49/1163870649.db2.gz XQGUPMLJSVJQJK-LBPRGKRZSA-N 1 2 298.350 1.481 20 30 CDEDLO C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1[nH]ncc1F ZINC001135408352 1164138734 /nfs/dbraw/zinc/13/87/34/1164138734.db2.gz WFDCMJWFXWIIHE-RKDXNWHRSA-N 1 2 288.754 1.788 20 30 CDEDLO C#CC[C@H]([NH2+]C1CCC(OCC=C)CC1)C(=O)OC ZINC001173316751 1164294052 /nfs/dbraw/zinc/29/40/52/1164294052.db2.gz CGQBULPRSZZUTL-RUXDESIVSA-N 1 2 265.353 1.655 20 30 CDEDLO CCN(C(=O)Cc1ccccc1C#N)C1C[NH+](C)C1 ZINC001181799581 1164352266 /nfs/dbraw/zinc/35/22/66/1164352266.db2.gz KLDMVNFLQYFLDC-UHFFFAOYSA-N 1 2 257.337 1.263 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCc2nc(Cl)ncc2C1 ZINC001252599949 1164558991 /nfs/dbraw/zinc/55/89/91/1164558991.db2.gz 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/nfs/dbraw/zinc/91/18/71/1184911871.db2.gz DFCIKKQVPSEVQR-GFCCVEGCSA-N 1 2 292.383 1.610 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC001752784509 1184911875 /nfs/dbraw/zinc/91/18/75/1184911875.db2.gz DFCIKKQVPSEVQR-GFCCVEGCSA-N 1 2 292.383 1.610 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[N@H+](C)CC(=O)NC(C)(C)C ZINC001753061504 1185028775 /nfs/dbraw/zinc/02/87/75/1185028775.db2.gz IPUUWXTVIGLQLX-ZDUSSCGKSA-N 1 2 297.443 1.551 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[N@@H+](C)CC(=O)NC(C)(C)C ZINC001753061504 1185028780 /nfs/dbraw/zinc/02/87/80/1185028780.db2.gz IPUUWXTVIGLQLX-ZDUSSCGKSA-N 1 2 297.443 1.551 20 30 CDEDLO CC#CCCCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC001753442148 1185207870 /nfs/dbraw/zinc/20/78/70/1185207870.db2.gz WRUQBHUWHXFCHD-HNNXBMFYSA-N 1 2 289.379 1.901 20 30 CDEDLO CC#CCCCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001753442148 1185207876 /nfs/dbraw/zinc/20/78/76/1185207876.db2.gz WRUQBHUWHXFCHD-HNNXBMFYSA-N 1 2 289.379 1.901 20 30 CDEDLO Cc1noc([C@H](C)[NH2+]C[C@H](C)NC(=O)C#CC(C)(C)C)n1 ZINC001754267361 1185540618 /nfs/dbraw/zinc/54/06/18/1185540618.db2.gz HJQRZQMFDMWBSJ-QWRGUYRKSA-N 1 2 292.383 1.583 20 30 CDEDLO Cc1ncsc1C[N@@H+]1CC[C@H]1CNC(=O)C#CC1CC1 ZINC001754483664 1185637507 /nfs/dbraw/zinc/63/75/07/1185637507.db2.gz MDQFTNBREJSWFC-ZDUSSCGKSA-N 1 2 289.404 1.555 20 30 CDEDLO Cc1ncsc1C[N@H+]1CC[C@H]1CNC(=O)C#CC1CC1 ZINC001754483664 1185637509 /nfs/dbraw/zinc/63/75/09/1185637509.db2.gz MDQFTNBREJSWFC-ZDUSSCGKSA-N 1 2 289.404 1.555 20 30 CDEDLO C#CCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](CCC)CC1 ZINC001754640898 1185690768 /nfs/dbraw/zinc/69/07/68/1185690768.db2.gz IUUWTEZFXUOKAU-UHFFFAOYSA-N 1 2 288.395 1.288 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)COC(C)(C)C ZINC001754964745 1185771960 /nfs/dbraw/zinc/77/19/60/1185771960.db2.gz FIYIZOADKRWIAA-CYBMUJFWSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)COC(C)(C)C ZINC001754964745 1185771962 /nfs/dbraw/zinc/77/19/62/1185771962.db2.gz 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/nfs/dbraw/zinc/37/57/06/751375706.db2.gz INSQRNZULBIEMH-SNVBAGLBSA-N 1 2 251.261 1.087 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncsc1C1CC1 ZINC001038691897 751376023 /nfs/dbraw/zinc/37/60/23/751376023.db2.gz XOJVUARZJWCOJC-GFCCVEGCSA-N 1 2 289.404 1.848 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncsc1C1CC1 ZINC001038691897 751376030 /nfs/dbraw/zinc/37/60/30/751376030.db2.gz XOJVUARZJWCOJC-GFCCVEGCSA-N 1 2 289.404 1.848 20 30 CDEDLO CN(CC#N)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000985535221 751378228 /nfs/dbraw/zinc/37/82/28/751378228.db2.gz NHCIOQWIYRTYOP-UHFFFAOYSA-N 1 2 297.362 1.394 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ocnc2C)C1 ZINC001046216104 751454628 /nfs/dbraw/zinc/45/46/28/751454628.db2.gz ISXUIZHEHGHAHA-ZDUSSCGKSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ocnc2C)C1 ZINC001046216104 751454636 /nfs/dbraw/zinc/45/46/36/751454636.db2.gz ISXUIZHEHGHAHA-ZDUSSCGKSA-N 1 2 283.759 1.930 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)CC2(Br)CC2)C1=O 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C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1conc1C)O2 ZINC001053654649 752308913 /nfs/dbraw/zinc/30/89/13/752308913.db2.gz SHQNTXFUQAINQM-GFCCVEGCSA-N 1 2 291.351 1.132 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccnn2C)[C@@H]1C ZINC000993126463 751729022 /nfs/dbraw/zinc/72/90/22/751729022.db2.gz JXHZTGRAPCKXRM-NWDGAFQWSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccnn2C)[C@@H]1C ZINC000993126463 751729057 /nfs/dbraw/zinc/72/90/57/751729057.db2.gz JXHZTGRAPCKXRM-NWDGAFQWSA-N 1 2 296.802 1.755 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnc(C(C)(C)C)nc2)C1 ZINC001031484102 751774035 /nfs/dbraw/zinc/77/40/35/751774035.db2.gz AIAGZXZHLMMUCU-UHFFFAOYSA-N 1 2 286.379 1.211 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCCOCC2)C1 ZINC001042670408 751802447 /nfs/dbraw/zinc/80/24/47/751802447.db2.gz CFVYJQSQJPWSHK-LBPRGKRZSA-N 1 2 252.358 1.132 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(N(C)C(C)C)cc1 ZINC001039074279 751816018 /nfs/dbraw/zinc/81/60/18/751816018.db2.gz YKRLASRLNPXPTD-KRWDZBQOSA-N 1 2 299.418 1.969 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N(C)C(C)C)cc1 ZINC001039074279 751816021 /nfs/dbraw/zinc/81/60/21/751816021.db2.gz YKRLASRLNPXPTD-KRWDZBQOSA-N 1 2 299.418 1.969 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)C2(c3ccccc3)CC2)C1 ZINC001044264555 751839672 /nfs/dbraw/zinc/83/96/72/751839672.db2.gz QUGVBTRKORXMEX-UHFFFAOYSA-N 1 2 282.387 1.884 20 30 CDEDLO Cc1nc(N[C@H](C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001065704510 751860419 /nfs/dbraw/zinc/86/04/19/751860419.db2.gz ZORFFHYXYZROBS-IUODEOHRSA-N 1 2 298.390 1.847 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@H](C)CC1 ZINC000884313499 751863132 /nfs/dbraw/zinc/86/31/32/751863132.db2.gz GVVKYEWXKDCGPW-XQQFMLRXSA-N 1 2 282.384 1.518 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc2c(c1)OCCO2 ZINC000819394422 751868704 /nfs/dbraw/zinc/86/87/04/751868704.db2.gz VZMFNCFYINXRNR-CYBMUJFWSA-N 1 2 291.351 1.076 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc2c(c1)OCCO2 ZINC000819394422 751868705 /nfs/dbraw/zinc/86/87/05/751868705.db2.gz VZMFNCFYINXRNR-CYBMUJFWSA-N 1 2 291.351 1.076 20 30 CDEDLO C#CC[C@@H](CCOC)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000863781094 751899178 /nfs/dbraw/zinc/89/91/78/751899178.db2.gz IZNLMNWTPNRTRF-YNEHKIRRSA-N 1 2 275.352 1.068 20 30 CDEDLO C#CCOc1ccccc1C[NH2+][C@@H](C)c1cn(C)nn1 ZINC000720559770 751953741 /nfs/dbraw/zinc/95/37/41/751953741.db2.gz WSQUDITWACPMJY-LBPRGKRZSA-N 1 2 270.336 1.678 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001035497303 752034094 /nfs/dbraw/zinc/03/40/94/752034094.db2.gz UNNBBWCVSYPMKC-HZSPNIEDSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001035497303 752034098 /nfs/dbraw/zinc/03/40/98/752034098.db2.gz UNNBBWCVSYPMKC-HZSPNIEDSA-N 1 2 266.385 1.426 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C)n2C)C1 ZINC001035284610 752066901 /nfs/dbraw/zinc/06/69/01/752066901.db2.gz KHMFRSKEGBZIHR-CQSZACIVSA-N 1 2 291.395 1.340 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(C)n2C)C1 ZINC001035284610 752066905 /nfs/dbraw/zinc/06/69/05/752066905.db2.gz KHMFRSKEGBZIHR-CQSZACIVSA-N 1 2 291.395 1.340 20 30 CDEDLO C=CCCC(C)(C)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000853607848 752090083 /nfs/dbraw/zinc/09/00/83/752090083.db2.gz XDVPACOOJURQRX-CYBMUJFWSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CCCC(C)(C)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000853607848 752090091 /nfs/dbraw/zinc/09/00/91/752090091.db2.gz XDVPACOOJURQRX-CYBMUJFWSA-N 1 2 283.416 1.751 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(F)(F)F ZINC001017807816 752177496 /nfs/dbraw/zinc/17/74/96/752177496.db2.gz CSEGPAGOFZLAPL-UTUOFQBUSA-N 1 2 288.313 1.883 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(F)(F)F ZINC001017807816 752177510 /nfs/dbraw/zinc/17/75/10/752177510.db2.gz CSEGPAGOFZLAPL-UTUOFQBUSA-N 1 2 288.313 1.883 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCO[C@H](CC)C2)C1 ZINC001044151248 752209103 /nfs/dbraw/zinc/20/91/03/752209103.db2.gz AQGYVXLYYQNLII-TZMCWYRMSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1C(C)C ZINC000884079522 752742813 /nfs/dbraw/zinc/74/28/13/752742813.db2.gz SJTSGINOEHGTSY-RYUDHWBXSA-N 1 2 268.357 1.080 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(C)c(F)c1 ZINC000884046998 752287987 /nfs/dbraw/zinc/28/79/87/752287987.db2.gz ACJLZNZYTFZROL-LBPRGKRZSA-N 1 2 280.299 1.519 20 30 CDEDLO CC[C@H](CO)[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000930923166 752296057 /nfs/dbraw/zinc/29/60/57/752296057.db2.gz KASYHYYMJPEGQY-UKRRQHHQSA-N 1 2 259.353 1.710 20 30 CDEDLO CC[C@H](CO)[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000930923166 752296071 /nfs/dbraw/zinc/29/60/71/752296071.db2.gz KASYHYYMJPEGQY-UKRRQHHQSA-N 1 2 259.353 1.710 20 30 CDEDLO C#CC1CC[NH+](Cc2nnc3n2CCCCC3)CC1 ZINC000830343145 749383292 /nfs/dbraw/zinc/38/32/92/749383292.db2.gz MZDWEPSBPHLZCQ-UHFFFAOYSA-N 1 2 258.369 1.850 20 30 CDEDLO CC(C)C[C@@H](C(=O)N1CCO[C@](C)(C#N)C1)n1cc[nH+]c1 ZINC000887690308 749445117 /nfs/dbraw/zinc/44/51/17/749445117.db2.gz JXMJYMBOPUKEAI-DZGCQCFKSA-N 1 2 290.367 1.611 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccsc1 ZINC001017321504 749483808 /nfs/dbraw/zinc/48/38/08/749483808.db2.gz KZGGKPNMFYGMAB-GASCZTMLSA-N 1 2 288.416 1.989 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccsc1 ZINC001017321504 749483816 /nfs/dbraw/zinc/48/38/16/749483816.db2.gz KZGGKPNMFYGMAB-GASCZTMLSA-N 1 2 288.416 1.989 20 30 CDEDLO C[C@H](CNC(=O)C#Cc1ccccc1)Cn1cc[nH+]c1 ZINC000081801821 749494055 /nfs/dbraw/zinc/49/40/55/749494055.db2.gz UEPKABSMXLTDHZ-CQSZACIVSA-N 1 2 267.332 1.687 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001015731424 749557366 /nfs/dbraw/zinc/55/73/66/749557366.db2.gz KQLMCWJBIVQDHW-IJLUTSLNSA-N 1 2 272.776 1.497 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001015731424 749557380 /nfs/dbraw/zinc/55/73/80/749557380.db2.gz KQLMCWJBIVQDHW-IJLUTSLNSA-N 1 2 272.776 1.497 20 30 CDEDLO Cc1[nH]ncc1C[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000818950001 749632325 /nfs/dbraw/zinc/63/23/25/749632325.db2.gz RNGAMAJOAYKMIU-CQSZACIVSA-N 1 2 256.309 1.413 20 30 CDEDLO CCOC(=O)[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)CCO1 ZINC000851782741 749662092 /nfs/dbraw/zinc/66/20/92/749662092.db2.gz XERIOFBLDHHVQP-HNNXBMFYSA-N 1 2 288.347 1.365 20 30 CDEDLO CCOC(=O)[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)CCO1 ZINC000851782741 749662099 /nfs/dbraw/zinc/66/20/99/749662099.db2.gz XERIOFBLDHHVQP-HNNXBMFYSA-N 1 2 288.347 1.365 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CC[C@H](F)C2)C1 ZINC001043660873 749666075 /nfs/dbraw/zinc/66/60/75/749666075.db2.gz UFTVZVMGSYSDIY-RYUDHWBXSA-N 1 2 254.349 1.843 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H](C)CO2)C1 ZINC001031857604 749695491 /nfs/dbraw/zinc/69/54/91/749695491.db2.gz DBTNVYVVVSGKIG-CABZTGNLSA-N 1 2 272.776 1.212 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sc(C)nc1C ZINC001032772014 749785189 /nfs/dbraw/zinc/78/51/89/749785189.db2.gz SLCQLOQXUFAKAB-RYUDHWBXSA-N 1 2 277.393 1.845 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sc(C)nc1C ZINC001032772014 749785208 /nfs/dbraw/zinc/78/52/08/749785208.db2.gz SLCQLOQXUFAKAB-RYUDHWBXSA-N 1 2 277.393 1.845 20 30 CDEDLO C=C1CC(C)(C(=O)N2CCOC3(C[NH+](CCC)C3)C2)C1 ZINC001053418063 749790951 /nfs/dbraw/zinc/79/09/51/749790951.db2.gz KTYJWFSCPREWPQ-UHFFFAOYSA-N 1 2 278.396 1.666 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)c(C)n1 ZINC001038516483 749815694 /nfs/dbraw/zinc/81/56/94/749815694.db2.gz NMDKJXWHWNFBNO-ZDUSSCGKSA-N 1 2 257.337 1.136 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)c(C)n1 ZINC001038516483 749815698 /nfs/dbraw/zinc/81/56/98/749815698.db2.gz NMDKJXWHWNFBNO-ZDUSSCGKSA-N 1 2 257.337 1.136 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2c(C)noc2C(F)F)C1 ZINC001014893486 749816964 /nfs/dbraw/zinc/81/69/64/749816964.db2.gz JUKSZSHBIBPVFS-SECBINFHSA-N 1 2 283.278 1.358 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2c(C)noc2C(F)F)C1 ZINC001014893486 749816963 /nfs/dbraw/zinc/81/69/63/749816963.db2.gz JUKSZSHBIBPVFS-SECBINFHSA-N 1 2 283.278 1.358 20 30 CDEDLO CC#CCOC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000175457054 749844361 /nfs/dbraw/zinc/84/43/61/749844361.db2.gz JQGUGTWSXXCQPE-CYBMUJFWSA-N 1 2 257.333 2.000 20 30 CDEDLO CC#CCOC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000175457054 749844362 /nfs/dbraw/zinc/84/43/62/749844362.db2.gz JQGUGTWSXXCQPE-CYBMUJFWSA-N 1 2 257.333 2.000 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2CCOCC2)C1 ZINC001042407139 749849347 /nfs/dbraw/zinc/84/93/47/749849347.db2.gz QRCUUNCFAGEIBF-UHFFFAOYSA-N 1 2 252.358 1.132 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](C#N)C1 ZINC000928217682 749854754 /nfs/dbraw/zinc/85/47/54/749854754.db2.gz SUWBBONVUKWIMO-IJLUTSLNSA-N 1 2 258.325 1.286 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)noc1CC ZINC001039002445 749860256 /nfs/dbraw/zinc/86/02/56/749860256.db2.gz JEEJGDLLUHPOCE-GFCCVEGCSA-N 1 2 275.352 1.373 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)noc1CC ZINC001039002445 749860258 /nfs/dbraw/zinc/86/02/58/749860258.db2.gz JEEJGDLLUHPOCE-GFCCVEGCSA-N 1 2 275.352 1.373 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001031603045 749866680 /nfs/dbraw/zinc/86/66/80/749866680.db2.gz FJVJIMNVHODPJM-UHFFFAOYSA-N 1 2 278.743 1.300 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ncoc2CC)C1 ZINC001042558583 749870320 /nfs/dbraw/zinc/87/03/20/749870320.db2.gz BRBNZNWFIGNHME-UHFFFAOYSA-N 1 2 261.325 1.017 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccc[nH]1)CO2 ZINC001054014083 749903985 /nfs/dbraw/zinc/90/39/85/749903985.db2.gz HTQRUCBFMIQWOH-CQSZACIVSA-N 1 2 289.379 1.093 20 30 CDEDLO COC(=O)[C@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)C(C)(C)C ZINC000886076033 749940304 /nfs/dbraw/zinc/94/03/04/749940304.db2.gz JTEZVJGHTAEBCY-NEPJUHHUSA-N 1 2 282.384 1.609 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn(C(C)C)c2)C1 ZINC001031243577 749940498 /nfs/dbraw/zinc/94/04/98/749940498.db2.gz TWXIXTXXMIIDGB-UHFFFAOYSA-N 1 2 262.357 1.454 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2cnns2)C1 ZINC001027336538 749975207 /nfs/dbraw/zinc/97/52/07/749975207.db2.gz SBNWHTDLGOIVAZ-GHMZBOCLSA-N 1 2 293.396 1.121 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cnns2)C1 ZINC001027336538 749975214 /nfs/dbraw/zinc/97/52/14/749975214.db2.gz SBNWHTDLGOIVAZ-GHMZBOCLSA-N 1 2 293.396 1.121 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(C)c1CC ZINC001038698930 750007836 /nfs/dbraw/zinc/00/78/36/750007836.db2.gz KODDSVFGDZHYBU-GFCCVEGCSA-N 1 2 259.353 1.025 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(C)c1CC ZINC001038698930 750007844 /nfs/dbraw/zinc/00/78/44/750007844.db2.gz KODDSVFGDZHYBU-GFCCVEGCSA-N 1 2 259.353 1.025 20 30 CDEDLO C=CCCC(C)(C)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000853607849 750031168 /nfs/dbraw/zinc/03/11/68/750031168.db2.gz XDVPACOOJURQRX-ZDUSSCGKSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CCCC(C)(C)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000853607849 750031176 /nfs/dbraw/zinc/03/11/76/750031176.db2.gz XDVPACOOJURQRX-ZDUSSCGKSA-N 1 2 283.416 1.751 20 30 CDEDLO C=C(Cl)C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000840899445 750062031 /nfs/dbraw/zinc/06/20/31/750062031.db2.gz MWEPNQUPONLUOS-UHFFFAOYSA-N 1 2 265.787 1.994 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(F)F)n[nH]1 ZINC001017932423 750072276 /nfs/dbraw/zinc/07/22/76/750072276.db2.gz IZYGOUYSMRBWLC-AOOOYVTPSA-N 1 2 294.305 1.269 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(F)F)n[nH]1 ZINC001017932423 750072282 /nfs/dbraw/zinc/07/22/82/750072282.db2.gz IZYGOUYSMRBWLC-AOOOYVTPSA-N 1 2 294.305 1.269 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnc(C)c1 ZINC001051179846 750091456 /nfs/dbraw/zinc/09/14/56/750091456.db2.gz YENZREXRFHPZEB-HNNXBMFYSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnc(C)c1 ZINC001051179846 750091467 /nfs/dbraw/zinc/09/14/67/750091467.db2.gz YENZREXRFHPZEB-HNNXBMFYSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccn(C)c1 ZINC001050875840 750149486 /nfs/dbraw/zinc/14/94/86/750149486.db2.gz GUGGFBCVLORQMA-CQSZACIVSA-N 1 2 277.368 1.032 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccn(C)c1 ZINC001050875840 750149493 /nfs/dbraw/zinc/14/94/93/750149493.db2.gz GUGGFBCVLORQMA-CQSZACIVSA-N 1 2 277.368 1.032 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnn1CC1CCC1 ZINC001038261334 750155641 /nfs/dbraw/zinc/15/56/41/750155641.db2.gz JQUWNCVVYQPADG-CQSZACIVSA-N 1 2 286.379 1.121 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnn1CC1CCC1 ZINC001038261334 750155651 /nfs/dbraw/zinc/15/56/51/750155651.db2.gz JQUWNCVVYQPADG-CQSZACIVSA-N 1 2 286.379 1.121 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)on1 ZINC001010457843 750158692 /nfs/dbraw/zinc/15/86/92/750158692.db2.gz OJIJJOZNVZDGNV-LBPRGKRZSA-N 1 2 299.334 1.187 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)on1 ZINC001010457843 750158706 /nfs/dbraw/zinc/15/87/06/750158706.db2.gz OJIJJOZNVZDGNV-LBPRGKRZSA-N 1 2 299.334 1.187 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3cccnn32)C1 ZINC001031064900 750180675 /nfs/dbraw/zinc/18/06/75/750180675.db2.gz LJIIFFWVZDJMGY-UHFFFAOYSA-N 1 2 270.336 1.324 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2nsnc21 ZINC001038864402 750216503 /nfs/dbraw/zinc/21/65/03/750216503.db2.gz QFJVZNFZJLUNPB-JTQLQIEISA-N 1 2 286.360 1.129 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2nsnc21 ZINC001038864402 750216512 /nfs/dbraw/zinc/21/65/12/750216512.db2.gz QFJVZNFZJLUNPB-JTQLQIEISA-N 1 2 286.360 1.129 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(NC(C)=O)c1 ZINC001039011529 750255090 /nfs/dbraw/zinc/25/50/90/750255090.db2.gz RJIRBTQMIXYIMB-OAHLLOKOSA-N 1 2 285.347 1.082 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(NC(C)=O)c1 ZINC001039011529 750255105 /nfs/dbraw/zinc/25/51/05/750255105.db2.gz RJIRBTQMIXYIMB-OAHLLOKOSA-N 1 2 285.347 1.082 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c(C)oc(C)c2C)C1 ZINC001030641630 750270908 /nfs/dbraw/zinc/27/09/08/750270908.db2.gz KSFUDDVMBKWYOG-UHFFFAOYSA-N 1 2 260.337 1.642 20 30 CDEDLO C[C@@H]1C[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031521589 750314820 /nfs/dbraw/zinc/31/48/20/750314820.db2.gz GXQFSNHGBDYZAC-MLGOLLRUSA-N 1 2 283.375 1.762 20 30 CDEDLO C=CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2cc(C)no2)CC1 ZINC000886761458 750326565 /nfs/dbraw/zinc/32/65/65/750326565.db2.gz FCBXKUGLLSLDMM-GFCCVEGCSA-N 1 2 293.367 1.713 20 30 CDEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C(C)(C)C)C2)CC1 ZINC001052109854 750331169 /nfs/dbraw/zinc/33/11/69/750331169.db2.gz IIKPRLIKDMAPFM-OAHLLOKOSA-N 1 2 293.455 1.827 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ocnc1C ZINC001050851993 750338220 /nfs/dbraw/zinc/33/82/20/750338220.db2.gz JQXRQHAEYDNSMM-CYBMUJFWSA-N 1 2 293.367 1.380 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ocnc1C ZINC001050851993 750338226 /nfs/dbraw/zinc/33/82/26/750338226.db2.gz JQXRQHAEYDNSMM-CYBMUJFWSA-N 1 2 293.367 1.380 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]cnc1C ZINC001018346558 750345241 /nfs/dbraw/zinc/34/52/41/750345241.db2.gz KVFAAKLNSZSFKO-BETUJISGSA-N 1 2 272.352 1.030 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]cnc1C ZINC001018346558 750345248 /nfs/dbraw/zinc/34/52/48/750345248.db2.gz KVFAAKLNSZSFKO-BETUJISGSA-N 1 2 272.352 1.030 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc([C@H](C)CC)no2)C1 ZINC001015811600 750368377 /nfs/dbraw/zinc/36/83/77/750368377.db2.gz JFQZLZPMQXOPPC-VXGBXAGGSA-N 1 2 275.352 1.625 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc([C@H](C)CC)no2)C1 ZINC001015811600 750368387 /nfs/dbraw/zinc/36/83/87/750368387.db2.gz JFQZLZPMQXOPPC-VXGBXAGGSA-N 1 2 275.352 1.625 20 30 CDEDLO C[C@]1(C#N)CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000887670481 750383622 /nfs/dbraw/zinc/38/36/22/750383622.db2.gz AKCUMUMDGWRCGM-INIZCTEOSA-N 1 2 296.330 1.627 20 30 CDEDLO N#Cc1cnccc1NC(=O)c1cccc2[nH+]ccn21 ZINC000776896891 750403890 /nfs/dbraw/zinc/40/38/90/750403890.db2.gz RQNIUHRHXLEGSR-UHFFFAOYSA-N 1 2 263.260 1.853 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C2CC2)oc1C ZINC001032708034 750404030 /nfs/dbraw/zinc/40/40/30/750404030.db2.gz WYKNBFHJJRNBFV-KBPBESRZSA-N 1 2 299.374 1.782 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C2CC2)oc1C ZINC001032708034 750404054 /nfs/dbraw/zinc/40/40/54/750404054.db2.gz WYKNBFHJJRNBFV-KBPBESRZSA-N 1 2 299.374 1.782 20 30 CDEDLO C#CCOCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000784603145 750413099 /nfs/dbraw/zinc/41/30/99/750413099.db2.gz DATUWXZQUQFPQF-UHFFFAOYSA-N 1 2 283.331 1.311 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(OC)cc(OC)c1 ZINC001038953912 750459384 /nfs/dbraw/zinc/45/93/84/750459384.db2.gz QNTOCHXGVIICEB-CYBMUJFWSA-N 1 2 288.347 1.141 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(OC)cc(OC)c1 ZINC001038953912 750459396 /nfs/dbraw/zinc/45/93/96/750459396.db2.gz QNTOCHXGVIICEB-CYBMUJFWSA-N 1 2 288.347 1.141 20 30 CDEDLO C#CC[C@@H]1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000888661768 750478119 /nfs/dbraw/zinc/47/81/19/750478119.db2.gz CXZSRFCSBCUZKE-CABCVRRESA-N 1 2 298.390 1.715 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccoc2C)C1 ZINC001035283000 750514563 /nfs/dbraw/zinc/51/45/63/750514563.db2.gz JXMCQYYIFYOWPV-GFCCVEGCSA-N 1 2 264.325 1.205 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccoc2C)C1 ZINC001035283000 750514575 /nfs/dbraw/zinc/51/45/75/750514575.db2.gz JXMCQYYIFYOWPV-GFCCVEGCSA-N 1 2 264.325 1.205 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC23CC3)C1 ZINC001032009352 750575551 /nfs/dbraw/zinc/57/55/51/750575551.db2.gz VSMPPHHPTVHYKB-LLVKDONJSA-N 1 2 254.761 1.587 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC001043317094 750655134 /nfs/dbraw/zinc/65/51/34/750655134.db2.gz GMXNBDRMVIGCKX-CYBMUJFWSA-N 1 2 266.385 1.520 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c(cn1)OCCC2 ZINC001038968338 750684952 /nfs/dbraw/zinc/68/49/52/750684952.db2.gz PLTQUZILAWAIJS-CQSZACIVSA-N 1 2 299.374 1.234 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2c(cn1)OCCC2 ZINC001038968338 750684982 /nfs/dbraw/zinc/68/49/82/750684982.db2.gz PLTQUZILAWAIJS-CQSZACIVSA-N 1 2 299.374 1.234 20 30 CDEDLO COc1ccc(O)c(/C=N\[C@H](C)C[NH+]2CCOCC2)c1 ZINC000255412391 750689844 /nfs/dbraw/zinc/68/98/44/750689844.db2.gz QOTNBIPBPZKWEV-YUSFRKCESA-N 1 2 278.352 1.540 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N(C)C)nc1 ZINC001032491662 750741427 /nfs/dbraw/zinc/74/14/27/750741427.db2.gz BBBKOFLLVKPMNA-GJZGRUSLSA-N 1 2 298.390 1.070 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N(C)C)nc1 ZINC001032491662 750741443 /nfs/dbraw/zinc/74/14/43/750741443.db2.gz BBBKOFLLVKPMNA-GJZGRUSLSA-N 1 2 298.390 1.070 20 30 CDEDLO C[C@@H](C#N)OCC[NH+]1CCN(C2=NC[C@H](C)S2)CC1 ZINC000801935082 750745619 /nfs/dbraw/zinc/74/56/19/750745619.db2.gz WQBCUKOCGWMGQL-RYUDHWBXSA-N 1 2 282.413 1.024 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2cccnc21 ZINC001038473604 750825234 /nfs/dbraw/zinc/82/52/34/750825234.db2.gz OIYXPTSCSSWKHV-CQSZACIVSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2cccnc21 ZINC001038473604 750825236 /nfs/dbraw/zinc/82/52/36/750825236.db2.gz OIYXPTSCSSWKHV-CQSZACIVSA-N 1 2 279.343 1.672 20 30 CDEDLO CS[C@@H](C)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004349195 750827721 /nfs/dbraw/zinc/82/77/21/750827721.db2.gz HLDKGOUHZIKEFX-GXTWGEPZSA-N 1 2 295.452 1.964 20 30 CDEDLO CS[C@@H](C)C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004349195 750827722 /nfs/dbraw/zinc/82/77/22/750827722.db2.gz HLDKGOUHZIKEFX-GXTWGEPZSA-N 1 2 295.452 1.964 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2CCC=C)nc1 ZINC001051213750 750835098 /nfs/dbraw/zinc/83/50/98/750835098.db2.gz DPDGLRRPIBVSNF-HNNXBMFYSA-N 1 2 299.374 1.070 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2CCC=C)nc1 ZINC001051213750 750835099 /nfs/dbraw/zinc/83/50/99/750835099.db2.gz DPDGLRRPIBVSNF-HNNXBMFYSA-N 1 2 299.374 1.070 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)cc1 ZINC000249491382 750837386 /nfs/dbraw/zinc/83/73/86/750837386.db2.gz VIHJSNTWUYTHRO-BBRMVZONSA-N 1 2 275.348 1.280 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)cc1 ZINC000249491382 750837390 /nfs/dbraw/zinc/83/73/90/750837390.db2.gz VIHJSNTWUYTHRO-BBRMVZONSA-N 1 2 275.348 1.280 20 30 CDEDLO COc1cc(F)cc(N[NH+]=Cc2c(C)nn(C)c2N)c1 ZINC000814870669 750845461 /nfs/dbraw/zinc/84/54/61/750845461.db2.gz NRIAWYSNTVDGCV-UHFFFAOYSA-N 1 2 277.303 1.904 20 30 CDEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(C)=O)C2)C1 ZINC000981559516 750859336 /nfs/dbraw/zinc/85/93/36/750859336.db2.gz JHFNCUYVSKGBQZ-UHFFFAOYSA-N 1 2 287.201 1.839 20 30 CDEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(C)=O)C2)C1 ZINC000981559516 750859338 /nfs/dbraw/zinc/85/93/38/750859338.db2.gz JHFNCUYVSKGBQZ-UHFFFAOYSA-N 1 2 287.201 1.839 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2nccn3ccnc23)C1 ZINC001043910311 750861653 /nfs/dbraw/zinc/86/16/53/750861653.db2.gz IEUAABAZNIFEQQ-UHFFFAOYSA-N 1 2 285.351 1.062 20 30 CDEDLO COC(=O)c1cccc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c1C#N ZINC000782604140 750863548 /nfs/dbraw/zinc/86/35/48/750863548.db2.gz AEODSFIRSNYZEV-WBMJQRKESA-N 1 2 286.331 1.159 20 30 CDEDLO COC(=O)c1cccc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c1C#N ZINC000782604140 750863550 /nfs/dbraw/zinc/86/35/50/750863550.db2.gz AEODSFIRSNYZEV-WBMJQRKESA-N 1 2 286.331 1.159 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1CC3(CC3)C1)O2 ZINC001053659704 750864839 /nfs/dbraw/zinc/86/48/39/750864839.db2.gz WYSKSPLXVCUZOG-AWEZNQCLSA-N 1 2 290.407 1.712 20 30 CDEDLO CN(C(=O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000879585518 750867242 /nfs/dbraw/zinc/86/72/42/750867242.db2.gz HAIPZWLIWCKZKZ-UHFFFAOYSA-N 1 2 298.390 1.301 20 30 CDEDLO C=CC[N@@H+](C)Cn1nc(C(=O)OC)c(Cl)c1C ZINC000777544175 750889358 /nfs/dbraw/zinc/88/93/58/750889358.db2.gz GKDADPVPKJVINJ-UHFFFAOYSA-N 1 2 257.721 1.707 20 30 CDEDLO C=CC[N@H+](C)Cn1nc(C(=O)OC)c(Cl)c1C ZINC000777544175 750889359 /nfs/dbraw/zinc/88/93/59/750889359.db2.gz GKDADPVPKJVINJ-UHFFFAOYSA-N 1 2 257.721 1.707 20 30 CDEDLO C=C1CC(C)(C(=O)NC2C[NH+](C[C@H](C)OC)C2)C1 ZINC001030924369 750895989 /nfs/dbraw/zinc/89/59/89/750895989.db2.gz OUXMMIBWNNQZLN-NSHDSACASA-N 1 2 252.358 1.178 20 30 CDEDLO CC(C)N(C(=O)CO[NH+]=C(N)Cc1cccnc1)C(C)C ZINC000137658777 750912984 /nfs/dbraw/zinc/91/29/84/750912984.db2.gz ZNALEALWWQLVPC-UHFFFAOYSA-N 1 2 292.383 1.558 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C23CCC(CC2)CC3)C1 ZINC001031422017 750924907 /nfs/dbraw/zinc/92/49/07/750924907.db2.gz LDGPTRSFAVCXJA-UHFFFAOYSA-N 1 2 260.381 1.781 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000838114726 751000178 /nfs/dbraw/zinc/00/01/78/751000178.db2.gz WOFCBZZBDHMKCD-CYBMUJFWSA-N 1 2 283.416 1.609 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000838114726 751000183 /nfs/dbraw/zinc/00/01/83/751000183.db2.gz WOFCBZZBDHMKCD-CYBMUJFWSA-N 1 2 283.416 1.609 20 30 CDEDLO C#CC1(NC(=O)NCCc2cn(C)c[nH+]2)CCCC1 ZINC000883738957 751022249 /nfs/dbraw/zinc/02/22/49/751022249.db2.gz LUTPYIXCEMNUBR-UHFFFAOYSA-N 1 2 260.341 1.208 20 30 CDEDLO C=CCONC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000838711294 751068474 /nfs/dbraw/zinc/06/84/74/751068474.db2.gz IAJGVDSPFQIITG-NEPJUHHUSA-N 1 2 264.329 1.593 20 30 CDEDLO C#CCC[C@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935806883 751110269 /nfs/dbraw/zinc/11/02/69/751110269.db2.gz DUSSEFALYAIBOI-NSHDSACASA-N 1 2 257.293 1.067 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cccs2)C1 ZINC001042416397 751144994 /nfs/dbraw/zinc/14/49/94/751144994.db2.gz JLBRUGCPYPRUGT-UHFFFAOYSA-N 1 2 250.367 1.619 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnn(CC)n1 ZINC001027868905 751149850 /nfs/dbraw/zinc/14/98/50/751149850.db2.gz AXSWGJJNPUKYSS-NSHDSACASA-N 1 2 297.790 1.245 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(CC)n1 ZINC001027868905 751149859 /nfs/dbraw/zinc/14/98/59/751149859.db2.gz AXSWGJJNPUKYSS-NSHDSACASA-N 1 2 297.790 1.245 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(C)nc3c2cnn3C)C1 ZINC001031153793 751175461 /nfs/dbraw/zinc/17/54/61/751175461.db2.gz YRHKVVYKJLPWKY-UHFFFAOYSA-N 1 2 299.378 1.267 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(C)cc1 ZINC001017711222 751223439 /nfs/dbraw/zinc/22/34/39/751223439.db2.gz PANSMJCWAWZCJQ-CALCHBBNSA-N 1 2 282.387 1.846 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(C)cc1 ZINC001017711222 751223445 /nfs/dbraw/zinc/22/34/45/751223445.db2.gz PANSMJCWAWZCJQ-CALCHBBNSA-N 1 2 282.387 1.846 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cnc(C(C)(C)C)s2)C1 ZINC001016347206 751254513 /nfs/dbraw/zinc/25/45/13/751254513.db2.gz GVSHPWMPMWBZOH-NSHDSACASA-N 1 2 291.420 1.878 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnc(C(C)(C)C)s2)C1 ZINC001016347206 751254524 /nfs/dbraw/zinc/25/45/24/751254524.db2.gz GVSHPWMPMWBZOH-NSHDSACASA-N 1 2 291.420 1.878 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CCCCC1 ZINC001032490481 751303232 /nfs/dbraw/zinc/30/32/32/751303232.db2.gz SFXIFGMFWLULDY-GJZGRUSLSA-N 1 2 290.407 1.644 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CCCCC1 ZINC001032490481 751303237 /nfs/dbraw/zinc/30/32/37/751303237.db2.gz SFXIFGMFWLULDY-GJZGRUSLSA-N 1 2 290.407 1.644 20 30 CDEDLO C=C(C)CC[NH+]1CC(NC(=O)c2ccc(C(N)=O)s2)C1 ZINC001031097358 751311852 /nfs/dbraw/zinc/31/18/52/751311852.db2.gz XLEUKTGQMPPNLK-UHFFFAOYSA-N 1 2 293.392 1.227 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001031001611 751316842 /nfs/dbraw/zinc/31/68/42/751316842.db2.gz JEXVPMOHYBKYBP-UHFFFAOYSA-N 1 2 280.730 1.916 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(=C)Cl ZINC001032423634 752334314 /nfs/dbraw/zinc/33/43/14/752334314.db2.gz WCYBFWOAICITRR-RYUDHWBXSA-N 1 2 266.772 1.683 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(=C)Cl ZINC001032423634 752334323 /nfs/dbraw/zinc/33/43/23/752334323.db2.gz WCYBFWOAICITRR-RYUDHWBXSA-N 1 2 266.772 1.683 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2cccc(OCC)c2)CC1 ZINC000859357704 752359833 /nfs/dbraw/zinc/35/98/33/752359833.db2.gz WLUHWZAREJDEKP-CMDGGOBGSA-N 1 2 298.386 1.876 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC2(C)C)C1 ZINC001035337326 752364035 /nfs/dbraw/zinc/36/40/35/752364035.db2.gz SUWQIFBRSKYRFQ-VXGBXAGGSA-N 1 2 252.358 1.036 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC2(C)C)C1 ZINC001035337326 752364049 /nfs/dbraw/zinc/36/40/49/752364049.db2.gz SUWQIFBRSKYRFQ-VXGBXAGGSA-N 1 2 252.358 1.036 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000836475567 752376926 /nfs/dbraw/zinc/37/69/26/752376926.db2.gz WXJVXPZSYCFWOP-GFCCVEGCSA-N 1 2 292.383 1.905 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccnc(-c3ccco3)c2)C1 ZINC001030496059 752384048 /nfs/dbraw/zinc/38/40/48/752384048.db2.gz NBENOMQYPYAZED-UHFFFAOYSA-N 1 2 295.342 1.779 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(NC(C)=O)c2C)C1 ZINC001031255163 752497380 /nfs/dbraw/zinc/49/73/80/752497380.db2.gz MOVWOTNGQFFOAC-UHFFFAOYSA-N 1 2 299.374 1.391 20 30 CDEDLO Cc1nc(C#N)cc(NC[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000881819126 752690325 /nfs/dbraw/zinc/69/03/25/752690325.db2.gz FUZIKQOMQFWOHN-SNVBAGLBSA-N 1 2 256.313 1.601 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC=CCC1)CCO2 ZINC001053152787 752703197 /nfs/dbraw/zinc/70/31/97/752703197.db2.gz HOKHOIBMGCJGGM-HNNXBMFYSA-N 1 2 290.407 1.832 20 30 CDEDLO O=C(C#CC1CC1)N1CCC[C@H]1C[NH2+]Cc1cnsn1 ZINC001045030739 752745433 /nfs/dbraw/zinc/74/54/33/752745433.db2.gz SSOBWYQJOCQKIA-ZDUSSCGKSA-N 1 2 290.392 1.032 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800211191 752756092 /nfs/dbraw/zinc/75/60/92/752756092.db2.gz SOXBGVXDMQHMFR-UKRRQHHQSA-N 1 2 285.384 1.479 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800211191 752756114 /nfs/dbraw/zinc/75/61/14/752756114.db2.gz SOXBGVXDMQHMFR-UKRRQHHQSA-N 1 2 285.384 1.479 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1nocc1C ZINC001028246867 752805440 /nfs/dbraw/zinc/80/54/40/752805440.db2.gz CKFUDLAFUGGNEQ-LLVKDONJSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1nocc1C ZINC001028246867 752805445 /nfs/dbraw/zinc/80/54/45/752805445.db2.gz CKFUDLAFUGGNEQ-LLVKDONJSA-N 1 2 283.759 1.930 20 30 CDEDLO C#CCC[C@H](O)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848035167 752812138 /nfs/dbraw/zinc/81/21/38/752812138.db2.gz NVVOPSJSVLZOAU-ZDUSSCGKSA-N 1 2 271.320 1.147 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@H](F)C2)C1 ZINC001042709510 752813107 /nfs/dbraw/zinc/81/31/07/752813107.db2.gz SNJBMFQWFJHVKL-RYUDHWBXSA-N 1 2 254.349 1.843 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1c(F)ccc(F)c1OC ZINC001038584874 752834138 /nfs/dbraw/zinc/83/41/38/752834138.db2.gz BFNLWOKQLPIWSN-SNVBAGLBSA-N 1 2 296.317 1.964 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(F)ccc(F)c1OC ZINC001038584874 752834139 /nfs/dbraw/zinc/83/41/39/752834139.db2.gz BFNLWOKQLPIWSN-SNVBAGLBSA-N 1 2 296.317 1.964 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1conc1C)CO2 ZINC001053914015 752893570 /nfs/dbraw/zinc/89/35/70/752893570.db2.gz DNSJRTAZOXQOQU-GFCCVEGCSA-N 1 2 291.351 1.132 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCO[C@H]2C(C)C)C1 ZINC001042883075 752894224 /nfs/dbraw/zinc/89/42/24/752894224.db2.gz SQSYDDKOZLJBRL-KGLIPLIRSA-N 1 2 266.385 1.376 20 30 CDEDLO N#CCC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000819193157 752898867 /nfs/dbraw/zinc/89/88/67/752898867.db2.gz CPEVMZYBDGLZOQ-CQSZACIVSA-N 1 2 257.337 1.681 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001038248287 752982647 /nfs/dbraw/zinc/98/26/47/752982647.db2.gz VAYZWMMIUDIWQB-UONOGXRCSA-N 1 2 260.381 1.781 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001038248287 752982654 /nfs/dbraw/zinc/98/26/54/752982654.db2.gz VAYZWMMIUDIWQB-UONOGXRCSA-N 1 2 260.381 1.781 20 30 CDEDLO CC[C@@](C)([NH2+]C[C@@H](O)CC1(C#N)CCC1)C(=O)OC ZINC000886100261 752992276 /nfs/dbraw/zinc/99/22/76/752992276.db2.gz JQHGWJNFMLWPGA-WCQYABFASA-N 1 2 268.357 1.363 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccn(CC(C)C)n2)C1 ZINC001042815567 753007494 /nfs/dbraw/zinc/00/74/94/753007494.db2.gz MYCKSFJLUJZOAY-UHFFFAOYSA-N 1 2 288.395 1.319 20 30 CDEDLO N#CCCN(Cc1ccco1)C(=O)Cc1[nH]cc[nH+]1 ZINC000824900792 753013417 /nfs/dbraw/zinc/01/34/17/753013417.db2.gz GDSGMCPNLMYQMT-UHFFFAOYSA-N 1 2 258.281 1.488 20 30 CDEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](F)CC)C2)CC1 ZINC001052062679 753052892 /nfs/dbraw/zinc/05/28/92/753052892.db2.gz MSRYZBBWUCNUBS-KGLIPLIRSA-N 1 2 283.391 1.139 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(CC)cc1 ZINC001038974621 753054697 /nfs/dbraw/zinc/05/46/97/753054697.db2.gz XTNNWSXYPVHHIM-HNNXBMFYSA-N 1 2 256.349 1.686 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(CC)cc1 ZINC001038974621 753054699 /nfs/dbraw/zinc/05/46/99/753054699.db2.gz XTNNWSXYPVHHIM-HNNXBMFYSA-N 1 2 256.349 1.686 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cnn(C)c2)CC1 ZINC001000419273 753125694 /nfs/dbraw/zinc/12/56/94/753125694.db2.gz PSELAWJQTFJUKQ-UHFFFAOYSA-N 1 2 294.786 1.535 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cnn(C)c2)CC1 ZINC001000419273 753125699 /nfs/dbraw/zinc/12/56/99/753125699.db2.gz PSELAWJQTFJUKQ-UHFFFAOYSA-N 1 2 294.786 1.535 20 30 CDEDLO C=CC[N@H+]1CC[C@@H](NC(=O)c2[nH]nc3c2C[C@@H](C)CC3)C1 ZINC001015926654 753213331 /nfs/dbraw/zinc/21/33/31/753213331.db2.gz URRWUTCSOGTFPQ-NWDGAFQWSA-N 1 2 288.395 1.525 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc3c2C[C@@H](C)CC3)C1 ZINC001015926654 753213334 /nfs/dbraw/zinc/21/33/34/753213334.db2.gz URRWUTCSOGTFPQ-NWDGAFQWSA-N 1 2 288.395 1.525 20 30 CDEDLO C#C[C@H](C)[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000184695939 753240212 /nfs/dbraw/zinc/24/02/12/753240212.db2.gz YMBXARBHTNZQTR-KWQFWETISA-N 1 2 281.153 1.587 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCO[C@H](C)C2)C1 ZINC001044095315 753276441 /nfs/dbraw/zinc/27/64/41/753276441.db2.gz FQPDHPSPOHQLCN-CHWSQXEVSA-N 1 2 266.385 1.520 20 30 CDEDLO C#CCOCCC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000125154034 753304508 /nfs/dbraw/zinc/30/45/08/753304508.db2.gz KXRZNDYWTLIWLY-UHFFFAOYSA-N 1 2 276.336 1.363 20 30 CDEDLO CC(=CS(C)(=O)=O)NNc1cccc(Cl)[nH+]1 ZINC000793174642 753316977 /nfs/dbraw/zinc/31/69/77/753316977.db2.gz KEOAPFOHODUDJH-UHFFFAOYSA-N 1 2 261.734 1.567 20 30 CDEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCc3c[nH]nc3C2)CCC1 ZINC000886080693 753337680 /nfs/dbraw/zinc/33/76/80/753337680.db2.gz FRVZHHWIYQOYMA-GFCCVEGCSA-N 1 2 260.341 1.213 20 30 CDEDLO N#CC1(C[C@@H](O)C[N@H+]2CCc3c[nH]nc3C2)CCC1 ZINC000886080693 753337686 /nfs/dbraw/zinc/33/76/86/753337686.db2.gz FRVZHHWIYQOYMA-GFCCVEGCSA-N 1 2 260.341 1.213 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCCO2)C1 ZINC001032920443 753367797 /nfs/dbraw/zinc/36/77/97/753367797.db2.gz RFGJUQLHONSXBI-OLZOCXBDSA-N 1 2 286.803 1.841 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCCO2)C1 ZINC001032920443 753367801 /nfs/dbraw/zinc/36/78/01/753367801.db2.gz RFGJUQLHONSXBI-OLZOCXBDSA-N 1 2 286.803 1.841 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c[nH]c(=O)c3ccccc23)C1 ZINC001031052617 753403572 /nfs/dbraw/zinc/40/35/72/753403572.db2.gz QFGCNKNDQJEZIY-UHFFFAOYSA-N 1 2 297.358 1.931 20 30 CDEDLO C[N@H+](CC(F)F)C1CCN(c2ccc(C#N)c(N)n2)CC1 ZINC000848666936 753435979 /nfs/dbraw/zinc/43/59/79/753435979.db2.gz DSQFPPKCZUJIJL-UHFFFAOYSA-N 1 2 295.337 1.701 20 30 CDEDLO C[N@@H+](CC(F)F)C1CCN(c2ccc(C#N)c(N)n2)CC1 ZINC000848666936 753435990 /nfs/dbraw/zinc/43/59/90/753435990.db2.gz DSQFPPKCZUJIJL-UHFFFAOYSA-N 1 2 295.337 1.701 20 30 CDEDLO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1nnnn1C1CC1 ZINC000790537031 753491294 /nfs/dbraw/zinc/49/12/94/753491294.db2.gz CKXOLOYOQRFBKA-LLVKDONJSA-N 1 2 298.350 1.761 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ncoc1C(F)(F)F ZINC001038426532 753529550 /nfs/dbraw/zinc/52/95/50/753529550.db2.gz JMTXLQZDJQBJQO-QMMMGPOBSA-N 1 2 289.257 1.684 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ncoc1C(F)(F)F ZINC001038426532 753529549 /nfs/dbraw/zinc/52/95/49/753529549.db2.gz JMTXLQZDJQBJQO-QMMMGPOBSA-N 1 2 289.257 1.684 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2[nH]ncc2F)CC[C@@H]1C ZINC001071800593 753534119 /nfs/dbraw/zinc/53/41/19/753534119.db2.gz YOQLOPIDXBSTDH-QWRGUYRKSA-N 1 2 280.347 1.708 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2[nH]ncc2F)CC[C@@H]1C ZINC001071800593 753534129 /nfs/dbraw/zinc/53/41/29/753534129.db2.gz YOQLOPIDXBSTDH-QWRGUYRKSA-N 1 2 280.347 1.708 20 30 CDEDLO C[N@H+](Cc1cnc[nH]1)Cc1ccc(OCC#N)cc1 ZINC000852284110 753569338 /nfs/dbraw/zinc/56/93/38/753569338.db2.gz HKYGBEZWZHWJAQ-UHFFFAOYSA-N 1 2 256.309 1.944 20 30 CDEDLO C[N@@H+](Cc1cnc[nH]1)Cc1ccc(OCC#N)cc1 ZINC000852284110 753569340 /nfs/dbraw/zinc/56/93/40/753569340.db2.gz HKYGBEZWZHWJAQ-UHFFFAOYSA-N 1 2 256.309 1.944 20 30 CDEDLO C[N@H+](Cc1c[nH]cn1)Cc1ccc(OCC#N)cc1 ZINC000852284110 753569342 /nfs/dbraw/zinc/56/93/42/753569342.db2.gz HKYGBEZWZHWJAQ-UHFFFAOYSA-N 1 2 256.309 1.944 20 30 CDEDLO C[N@@H+](Cc1c[nH]cn1)Cc1ccc(OCC#N)cc1 ZINC000852284110 753569344 /nfs/dbraw/zinc/56/93/44/753569344.db2.gz HKYGBEZWZHWJAQ-UHFFFAOYSA-N 1 2 256.309 1.944 20 30 CDEDLO Cc1cccc(CNC(=O)CO[NH+]=C(N)c2ccccc2)c1 ZINC000171891173 753589042 /nfs/dbraw/zinc/58/90/42/753589042.db2.gz XDIYYEYUQTXQAN-UHFFFAOYSA-N 1 2 297.358 1.948 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc3ncccn3n2)C1 ZINC001044072648 753703464 /nfs/dbraw/zinc/70/34/64/753703464.db2.gz OUENZOXONFIJBC-UHFFFAOYSA-N 1 2 285.351 1.062 20 30 CDEDLO C#Cc1ccccc1CC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000810651127 753730735 /nfs/dbraw/zinc/73/07/35/753730735.db2.gz IEOXIGBAFCMUNE-AWEZNQCLSA-N 1 2 287.359 1.474 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000248868414 753780145 /nfs/dbraw/zinc/78/01/45/753780145.db2.gz BHESIEYOEZXLMI-HIFRSBDPSA-N 1 2 275.348 1.280 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000248868414 753780147 /nfs/dbraw/zinc/78/01/47/753780147.db2.gz BHESIEYOEZXLMI-HIFRSBDPSA-N 1 2 275.348 1.280 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1cncs1 ZINC001038078455 753782123 /nfs/dbraw/zinc/78/21/23/753782123.db2.gz FFKTYNJVBGTXOX-SNVBAGLBSA-N 1 2 251.355 1.523 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1cncs1 ZINC001038078455 753782129 /nfs/dbraw/zinc/78/21/29/753782129.db2.gz FFKTYNJVBGTXOX-SNVBAGLBSA-N 1 2 251.355 1.523 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC001073532622 753784614 /nfs/dbraw/zinc/78/46/14/753784614.db2.gz VGPQFCMAPUWLFZ-LBPRGKRZSA-N 1 2 297.786 1.588 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC001073532622 753784618 /nfs/dbraw/zinc/78/46/18/753784618.db2.gz VGPQFCMAPUWLFZ-LBPRGKRZSA-N 1 2 297.786 1.588 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2c1O[C@H](C)C2 ZINC001038542681 753788260 /nfs/dbraw/zinc/78/82/60/753788260.db2.gz NNYBQUYEWFQQCQ-UKRRQHHQSA-N 1 2 298.386 1.837 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2c1O[C@H](C)C2 ZINC001038542681 753788261 /nfs/dbraw/zinc/78/82/61/753788261.db2.gz NNYBQUYEWFQQCQ-UKRRQHHQSA-N 1 2 298.386 1.837 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1 ZINC000128377499 753833010 /nfs/dbraw/zinc/83/30/10/753833010.db2.gz GCUXAPOHXRBRBD-GQCTYLIASA-N 1 2 298.342 1.206 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)COC)C1 ZINC001391597934 976980554 /nfs/dbraw/zinc/98/05/54/976980554.db2.gz CREABKRMZRBBER-JTQLQIEISA-N 1 2 291.189 1.074 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCOC1)C2 ZINC001095229600 912662735 /nfs/dbraw/zinc/66/27/35/912662735.db2.gz PDLMRJVXNKBOQR-MQYQWHSLSA-N 1 2 298.814 1.887 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCOC1)C2 ZINC001095229600 912662741 /nfs/dbraw/zinc/66/27/41/912662741.db2.gz PDLMRJVXNKBOQR-MQYQWHSLSA-N 1 2 298.814 1.887 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCc3cccnc32)C1 ZINC001030857963 912923591 /nfs/dbraw/zinc/92/35/91/912923591.db2.gz MUNWGDNVTJHNMZ-AWEZNQCLSA-N 1 2 271.364 1.488 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cc(F)ccc2F)C1 ZINC001030864748 912950153 /nfs/dbraw/zinc/95/01/53/912950153.db2.gz QMYPNMQZFSFGFL-UHFFFAOYSA-N 1 2 280.318 1.884 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccccc2-n2cccc2)C1 ZINC001030890029 913023392 /nfs/dbraw/zinc/02/33/92/913023392.db2.gz VOCPUACSABGRMN-UHFFFAOYSA-N 1 2 293.370 1.915 20 30 CDEDLO COCCn1cc([NH+]=C(NO)c2ccccc2N)cn1 ZINC001174552350 913240268 /nfs/dbraw/zinc/24/02/68/913240268.db2.gz HSGGRAOGNCYVJE-UHFFFAOYSA-N 1 2 275.312 1.169 20 30 CDEDLO C=CC(C)(C)CC(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122097790 913439052 /nfs/dbraw/zinc/43/90/52/913439052.db2.gz DQALNODKGATVEY-LBPRGKRZSA-N 1 2 292.383 1.276 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2cccn2)[C@H]1C ZINC000993017222 913604991 /nfs/dbraw/zinc/60/49/91/913604991.db2.gz XHCXBANCFPKFSV-CHWSQXEVSA-N 1 2 296.802 1.605 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cccn2)[C@H]1C ZINC000993017222 913605004 /nfs/dbraw/zinc/60/50/04/913605004.db2.gz XHCXBANCFPKFSV-CHWSQXEVSA-N 1 2 296.802 1.605 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)nc2onc(C)c21 ZINC001038573691 913658105 /nfs/dbraw/zinc/65/81/05/913658105.db2.gz DQMKJCCKLGBILV-LBPRGKRZSA-N 1 2 298.346 1.277 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)nc2onc(C)c21 ZINC001038573691 913658117 /nfs/dbraw/zinc/65/81/17/913658117.db2.gz DQMKJCCKLGBILV-LBPRGKRZSA-N 1 2 298.346 1.277 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1[nH]c(C)nc1C ZINC001480914068 896588123 /nfs/dbraw/zinc/58/81/23/896588123.db2.gz ZCSFLGQDZMQEHW-UHFFFAOYSA-N 1 2 270.764 1.441 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1[nH]c(C)nc1C ZINC001480914068 896588114 /nfs/dbraw/zinc/58/81/14/896588114.db2.gz ZCSFLGQDZMQEHW-UHFFFAOYSA-N 1 2 270.764 1.441 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cn[nH]c1)C1CC1 ZINC001267322262 897585505 /nfs/dbraw/zinc/58/55/05/897585505.db2.gz XEESBOTXGFNAPA-UHFFFAOYSA-N 1 2 268.748 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cn[nH]c1)C1CC1 ZINC001267322262 897585515 /nfs/dbraw/zinc/58/55/15/897585515.db2.gz XEESBOTXGFNAPA-UHFFFAOYSA-N 1 2 268.748 1.356 20 30 CDEDLO C[C@H](CNc1ccc(C#N)nc1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001104648645 898843451 /nfs/dbraw/zinc/84/34/51/898843451.db2.gz YYRBNILWKQDJAB-LLVKDONJSA-N 1 2 298.350 1.178 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCc2ncc(C)o2)cc1 ZINC000174115405 899129904 /nfs/dbraw/zinc/12/99/04/899129904.db2.gz ZJWKZOCQMYUUFJ-UHFFFAOYSA-N 1 2 261.281 1.829 20 30 CDEDLO C#CCCCCC(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001125967341 900286895 /nfs/dbraw/zinc/28/68/95/900286895.db2.gz RTAGWCHCHFOLIZ-UHFFFAOYSA-N 1 2 277.368 1.691 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1noc2c1C[C@@H](C)CC2 ZINC001038867421 901313166 /nfs/dbraw/zinc/31/31/66/901313166.db2.gz AKARWBYLVFVSHA-RYUDHWBXSA-N 1 2 289.379 1.790 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1noc2c1C[C@@H](C)CC2 ZINC001038867421 901313171 /nfs/dbraw/zinc/31/31/71/901313171.db2.gz AKARWBYLVFVSHA-RYUDHWBXSA-N 1 2 289.379 1.790 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(C)n(C)c2C)C1 ZINC001031368129 914579471 /nfs/dbraw/zinc/57/94/71/914579471.db2.gz CWVPTICXBIADFI-UHFFFAOYSA-N 1 2 261.369 1.632 20 30 CDEDLO C#CCCCCC(=O)N(C)CCN(C)c1cc[nH+]c(C)n1 ZINC001105372942 902731910 /nfs/dbraw/zinc/73/19/10/902731910.db2.gz DUBHQYUERKPBTA-UHFFFAOYSA-N 1 2 288.395 1.873 20 30 CDEDLO Cc1nc(C#N)c(NC(=O)CN(C)c2cccc[nH+]2)o1 ZINC001177409355 914669183 /nfs/dbraw/zinc/66/91/83/914669183.db2.gz MNRCYSUXQUGRGD-UHFFFAOYSA-N 1 2 271.280 1.325 20 30 CDEDLO COc1ccc(NC(=O)CCn2cc[nH+]c2)cc1C#N ZINC001363266405 904393038 /nfs/dbraw/zinc/39/30/38/904393038.db2.gz CCQFVWHCPVYVKZ-UHFFFAOYSA-N 1 2 270.292 1.792 20 30 CDEDLO Cc1conc1C[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001226639797 905396407 /nfs/dbraw/zinc/39/64/07/905396407.db2.gz HBMYJZRKAGXOLR-JTQLQIEISA-N 1 2 276.340 1.223 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001128264443 921235073 /nfs/dbraw/zinc/23/50/73/921235073.db2.gz RAIMJQFJQDHWLC-JTQLQIEISA-N 1 2 280.372 1.747 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2)[C@H]1C ZINC001088463614 907360554 /nfs/dbraw/zinc/36/05/54/907360554.db2.gz FVYAAOMYZMWZJZ-PWSUYJOCSA-N 1 2 282.775 1.365 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2)[C@H]1C ZINC001088463614 907360568 /nfs/dbraw/zinc/36/05/68/907360568.db2.gz FVYAAOMYZMWZJZ-PWSUYJOCSA-N 1 2 282.775 1.365 20 30 CDEDLO COc1ccc(C#N)c(C(=O)NCCc2[nH+]ccn2C)c1 ZINC001189103385 921325207 /nfs/dbraw/zinc/32/52/07/921325207.db2.gz LPSDUIFNBIXASA-UHFFFAOYSA-N 1 2 284.319 1.273 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2cc(OC)ns2)[C@H]1C ZINC001088577013 908128425 /nfs/dbraw/zinc/12/84/25/908128425.db2.gz WKRCPDFABTYTQM-MNOVXSKESA-N 1 2 293.392 1.368 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cc(OC)ns2)[C@H]1C ZINC001088577013 908128432 /nfs/dbraw/zinc/12/84/32/908128432.db2.gz WKRCPDFABTYTQM-MNOVXSKESA-N 1 2 293.392 1.368 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]21 ZINC001093312993 909745677 /nfs/dbraw/zinc/74/56/77/909745677.db2.gz CXNRXBURUKRUGI-VIKVFOODSA-N 1 2 286.379 1.692 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)/C=C\C3CC3)CC2)C1 ZINC001093519756 909897214 /nfs/dbraw/zinc/89/72/14/909897214.db2.gz XCPMKIVGVVPIQA-WAYWQWQTSA-N 1 2 290.407 1.830 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C=C(C)C)CC2)C1 ZINC001093500956 909917217 /nfs/dbraw/zinc/91/72/17/909917217.db2.gz DFOKMEOQRBNJFG-UHFFFAOYSA-N 1 2 278.396 1.830 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3C[C@H]3C)CC2)C1 ZINC001093500927 909917636 /nfs/dbraw/zinc/91/76/36/909917636.db2.gz CKSRMLZVNNRBPE-DOMZBBRYSA-N 1 2 278.396 1.520 20 30 CDEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)C(C)(C)C)CC2=O)C1 ZINC001094809360 910787252 /nfs/dbraw/zinc/78/72/52/910787252.db2.gz XDDJWDPYIHODJD-GFCCVEGCSA-N 1 2 293.411 1.010 20 30 CDEDLO C[N@H+](CCC#N)[C@@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001171701506 910888976 /nfs/dbraw/zinc/88/89/76/910888976.db2.gz LQESVDYBEJUSPH-SNVBAGLBSA-N 1 2 267.329 1.368 20 30 CDEDLO C[N@@H+](CCC#N)[C@@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001171701506 910888991 /nfs/dbraw/zinc/88/89/91/910888991.db2.gz LQESVDYBEJUSPH-SNVBAGLBSA-N 1 2 267.329 1.368 20 30 CDEDLO C=C(C)CCC(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001105986672 911825414 /nfs/dbraw/zinc/82/54/14/911825414.db2.gz NNCAJRAXOSTUHJ-GFCCVEGCSA-N 1 2 278.356 1.030 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc([C@@H]3CCOC3)c2)C1 ZINC001030576623 912068342 /nfs/dbraw/zinc/06/83/42/912068342.db2.gz WPSDDFPLXBAPSO-MRXNPFEDSA-N 1 2 298.386 1.628 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001124495137 936320255 /nfs/dbraw/zinc/32/02/55/936320255.db2.gz MWZSLOQVGWZJPK-QWRGUYRKSA-N 1 2 296.371 1.126 20 30 CDEDLO C=CCCC(=O)NCC[NH2+]Cc1ncc(C(C)C)o1 ZINC001124640717 936328145 /nfs/dbraw/zinc/32/81/45/936328145.db2.gz OPDMSHLJYHVKLL-UHFFFAOYSA-N 1 2 265.357 1.970 20 30 CDEDLO CC1(C)CC(=O)C=C(NC(=O)Cc2cc[nH+]c(N)c2)C1 ZINC001181278903 916957997 /nfs/dbraw/zinc/95/79/97/916957997.db2.gz CIDOSKPESDWXLS-UHFFFAOYSA-N 1 2 273.336 1.596 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc(C)on1)CCO2 ZINC001053147360 936409542 /nfs/dbraw/zinc/40/95/42/936409542.db2.gz PSAXDEMSOFIHEW-UHFFFAOYSA-N 1 2 291.351 1.086 20 30 CDEDLO Cc1nnc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C#CC(C)C)C2)o1 ZINC001182431602 917862775 /nfs/dbraw/zinc/86/27/75/917862775.db2.gz DQEMETGDRVFRRE-DGCLKSJQSA-N 1 2 290.367 1.289 20 30 CDEDLO N#Cc1cccc2[nH]cc(CC(=O)NCCn3cc[nH+]c3)c21 ZINC001182577595 917977262 /nfs/dbraw/zinc/97/72/62/917977262.db2.gz JXLWQZCOCBNOCJ-UHFFFAOYSA-N 1 2 293.330 1.595 20 30 CDEDLO C#CCCCC(=O)NC/C=C\CNc1cc[nH+]c(C)n1 ZINC001107146950 918210172 /nfs/dbraw/zinc/21/01/72/918210172.db2.gz GIXULCBARBDPGN-SREVYHEPSA-N 1 2 272.352 1.673 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(C)nc2)C1 ZINC001107743139 918718284 /nfs/dbraw/zinc/71/82/84/918718284.db2.gz JRYUYWSPKDBOPW-MRXNPFEDSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(C)nc2)C1 ZINC001107743139 918718293 /nfs/dbraw/zinc/71/82/93/918718293.db2.gz JRYUYWSPKDBOPW-MRXNPFEDSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CC=CC2)C1 ZINC001107833735 918851250 /nfs/dbraw/zinc/85/12/50/918851250.db2.gz NQHDBPAWWXAOOI-HNNXBMFYSA-N 1 2 264.369 1.346 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CC=CC2)C1 ZINC001107833735 918851256 /nfs/dbraw/zinc/85/12/56/918851256.db2.gz NQHDBPAWWXAOOI-HNNXBMFYSA-N 1 2 264.369 1.346 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2=CCCC2)C1 ZINC001107866509 918930366 /nfs/dbraw/zinc/93/03/66/918930366.db2.gz OSPPAHRUQXOXFZ-HNNXBMFYSA-N 1 2 264.369 1.490 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2=CCCC2)C1 ZINC001107866509 918930374 /nfs/dbraw/zinc/93/03/74/918930374.db2.gz OSPPAHRUQXOXFZ-HNNXBMFYSA-N 1 2 264.369 1.490 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCOCC2)C1 ZINC001107907244 919038422 /nfs/dbraw/zinc/03/84/22/919038422.db2.gz PYMGSNQUMTYQMQ-HOCLYGCPSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCOCC2)C1 ZINC001107907244 919038433 /nfs/dbraw/zinc/03/84/33/919038433.db2.gz PYMGSNQUMTYQMQ-HOCLYGCPSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001051032495 936567995 /nfs/dbraw/zinc/56/79/95/936567995.db2.gz XOPFXXDFWYANNF-LBPRGKRZSA-N 1 2 281.331 1.161 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001051032495 936567996 /nfs/dbraw/zinc/56/79/96/936567996.db2.gz XOPFXXDFWYANNF-LBPRGKRZSA-N 1 2 281.331 1.161 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#CC ZINC001032559737 919401378 /nfs/dbraw/zinc/40/13/78/919401378.db2.gz KWMSPIUTPNXRLD-KBPBESRZSA-N 1 2 260.381 1.897 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#CC ZINC001032559737 919401382 /nfs/dbraw/zinc/40/13/82/919401382.db2.gz KWMSPIUTPNXRLD-KBPBESRZSA-N 1 2 260.381 1.897 20 30 CDEDLO CC[C@H](CC#N)[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC001255174589 936585377 /nfs/dbraw/zinc/58/53/77/936585377.db2.gz YTOPQZVNGFNWMJ-CQSZACIVSA-N 1 2 265.401 1.865 20 30 CDEDLO C[C@]1(C#N)CC[N@H+](Cc2ccnc(N3CCOCC3)c2)C1 ZINC001137440926 936598759 /nfs/dbraw/zinc/59/87/59/936598759.db2.gz MCQCTTPLNYYYLU-MRXNPFEDSA-N 1 2 286.379 1.654 20 30 CDEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccnc(N3CCOCC3)c2)C1 ZINC001137440926 936598761 /nfs/dbraw/zinc/59/87/61/936598761.db2.gz MCQCTTPLNYYYLU-MRXNPFEDSA-N 1 2 286.379 1.654 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)ccc1F ZINC001032649276 919683210 /nfs/dbraw/zinc/68/32/10/919683210.db2.gz IJLKWVFPRPOUSV-STQMWFEESA-N 1 2 272.323 1.666 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)ccc1F ZINC001032649276 919683220 /nfs/dbraw/zinc/68/32/20/919683220.db2.gz IJLKWVFPRPOUSV-STQMWFEESA-N 1 2 272.323 1.666 20 30 CDEDLO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001139531265 936626905 /nfs/dbraw/zinc/62/69/05/936626905.db2.gz STSWONCWTFPUDI-AWEZNQCLSA-N 1 2 275.327 1.798 20 30 CDEDLO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001139531265 936626906 /nfs/dbraw/zinc/62/69/06/936626906.db2.gz STSWONCWTFPUDI-AWEZNQCLSA-N 1 2 275.327 1.798 20 30 CDEDLO C[C@]1(O)COCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139646681 936633932 /nfs/dbraw/zinc/63/39/32/936633932.db2.gz DJYXWNMFIMZZOJ-CQSZACIVSA-N 1 2 264.300 1.281 20 30 CDEDLO C[C@]1(O)COCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139646681 936633934 /nfs/dbraw/zinc/63/39/34/936633934.db2.gz DJYXWNMFIMZZOJ-CQSZACIVSA-N 1 2 264.300 1.281 20 30 CDEDLO COCCn1cc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)cn1 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/nfs/dbraw/zinc/50/99/81/926509981.db2.gz BBXSWGRLZCOKJV-ZDUSSCGKSA-N 1 2 274.364 1.930 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C(F)F)o1 ZINC001085951053 926537576 /nfs/dbraw/zinc/53/75/76/926537576.db2.gz UQFPKQXBZMJSCB-SNVBAGLBSA-N 1 2 282.290 1.997 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C(F)F)o1 ZINC001085951053 926537582 /nfs/dbraw/zinc/53/75/82/926537582.db2.gz UQFPKQXBZMJSCB-SNVBAGLBSA-N 1 2 282.290 1.997 20 30 CDEDLO N#CC1(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC001143188456 937131773 /nfs/dbraw/zinc/13/17/73/937131773.db2.gz JLESXDUCVTWJFQ-LLVKDONJSA-N 1 2 256.309 1.080 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@H](F)Oc1ccnc(Cl)c1 ZINC001156320046 928041946 /nfs/dbraw/zinc/04/19/46/928041946.db2.gz NSTZHXKWOJXHOO-KWQFWETISA-N 1 2 270.695 1.164 20 30 CDEDLO O=C(C=CNc1c[nH+]c2c(c1)CCCN2)C(F)(F)F ZINC001169480803 928064180 /nfs/dbraw/zinc/06/41/80/928064180.db2.gz TYEMNRAINMRIRH-HWKANZROSA-N 1 2 271.242 1.784 20 30 CDEDLO C=CCOC[C@@H](O)C[NH+]1CCN(CCCCC)CC1 ZINC001252466926 928496719 /nfs/dbraw/zinc/49/67/19/928496719.db2.gz TZWZUGQYFXQIPO-HNNXBMFYSA-N 1 2 270.417 1.358 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001108635647 928570769 /nfs/dbraw/zinc/57/07/69/928570769.db2.gz OKZZKXMINLMMFD-JTQLQIEISA-N 1 2 262.357 1.914 20 30 CDEDLO C#CCCCC(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CC1 ZINC001109816880 929056210 /nfs/dbraw/zinc/05/62/10/929056210.db2.gz IUKDSMGNJZLWEG-AWEZNQCLSA-N 1 2 286.379 1.895 20 30 CDEDLO C=CCCC(=O)N1CC[NH+](CCc2ccns2)CC1 ZINC001112687966 929329369 /nfs/dbraw/zinc/32/93/69/929329369.db2.gz ALCLPFCVPVPMDH-UHFFFAOYSA-N 1 2 279.409 1.796 20 30 CDEDLO CC[N@H+](Cc1csc(C)n1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152419767 937361591 /nfs/dbraw/zinc/36/15/91/937361591.db2.gz GFJONTXODYXWKR-WDEREUQCSA-N 1 2 294.424 1.938 20 30 CDEDLO CC[N@@H+](Cc1csc(C)n1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152419767 937361594 /nfs/dbraw/zinc/36/15/94/937361594.db2.gz GFJONTXODYXWKR-WDEREUQCSA-N 1 2 294.424 1.938 20 30 CDEDLO C=CCC(F)(F)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000814774608 929835682 /nfs/dbraw/zinc/83/56/82/929835682.db2.gz WAQPNZQQAPUGAN-LBPRGKRZSA-N 1 2 288.338 1.521 20 30 CDEDLO C=C(C)C[C@H](NC(=O)CCn1cc[nH+]c1)C(=O)OCC ZINC000881750818 929894005 /nfs/dbraw/zinc/89/40/05/929894005.db2.gz BFRMXKSKZNJJSR-LBPRGKRZSA-N 1 2 279.340 1.287 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC000884102656 930442778 /nfs/dbraw/zinc/44/27/78/930442778.db2.gz JFCKYYMJOFTVIM-XQQFMLRXSA-N 1 2 282.384 1.376 20 30 CDEDLO C#CCC1(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CCC1 ZINC000886800464 930963371 /nfs/dbraw/zinc/96/33/71/930963371.db2.gz TYLWAABLBYHSJW-AWEZNQCLSA-N 1 2 286.379 1.852 20 30 CDEDLO C#CCC1(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CCC1 ZINC000886800464 930963380 /nfs/dbraw/zinc/96/33/80/930963380.db2.gz TYLWAABLBYHSJW-AWEZNQCLSA-N 1 2 286.379 1.852 20 30 CDEDLO C=CC[C@H](C)C(=O)NCc1c[nH+]cn1CCOC ZINC001144027210 931631148 /nfs/dbraw/zinc/63/11/48/931631148.db2.gz ORCCVTUCEZJLDY-NSHDSACASA-N 1 2 251.330 1.358 20 30 CDEDLO C=C(Cc1ccccc1)C(=O)NCCn1cc[nH+]c1 ZINC001144389340 931785929 /nfs/dbraw/zinc/78/59/29/931785929.db2.gz KHYQAUZOWQKDLI-UHFFFAOYSA-N 1 2 255.321 1.798 20 30 CDEDLO CCCCCNC(=O)[C@H](C#N)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845444150 931819748 /nfs/dbraw/zinc/81/97/48/931819748.db2.gz LIWBWQPKLNNDMT-QWHCGFSZSA-N 1 2 290.367 1.849 20 30 CDEDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(C#N)c1O)C2 ZINC001275735051 931986954 /nfs/dbraw/zinc/98/69/54/931986954.db2.gz YZEGJKQBPZQHLD-PWSUYJOCSA-N 1 2 271.320 1.040 20 30 CDEDLO C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(C#N)c1O)C2 ZINC001275735051 931986958 /nfs/dbraw/zinc/98/69/58/931986958.db2.gz YZEGJKQBPZQHLD-PWSUYJOCSA-N 1 2 271.320 1.040 20 30 CDEDLO COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1ncc(C)cc1C#N ZINC001160690768 931992678 /nfs/dbraw/zinc/99/26/78/931992678.db2.gz HEYFYKRDJKMAIQ-ZDUSSCGKSA-N 1 2 299.334 1.191 20 30 CDEDLO C#CCOc1ccc(CNC(=O)[C@H](C)n2cc[nH+]c2)cc1 ZINC001117851107 937561117 /nfs/dbraw/zinc/56/11/17/937561117.db2.gz VVMUKJZZEQWQCA-ZDUSSCGKSA-N 1 2 283.331 1.773 20 30 CDEDLO C#CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1ccon1)C2 ZINC001147427958 932495332 /nfs/dbraw/zinc/49/53/32/932495332.db2.gz FDMSDCWWDOUZNP-UHFFFAOYSA-N 1 2 287.363 1.512 20 30 CDEDLO C#CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1ccon1)C2 ZINC001147427958 932495334 /nfs/dbraw/zinc/49/53/34/932495334.db2.gz FDMSDCWWDOUZNP-UHFFFAOYSA-N 1 2 287.363 1.512 20 30 CDEDLO CC#CCCCC(=O)NCCCN(C)c1cc[nH+]c(C)n1 ZINC001095700572 932755063 /nfs/dbraw/zinc/75/50/63/932755063.db2.gz VIIQSEGVQXMURG-UHFFFAOYSA-N 1 2 288.395 1.921 20 30 CDEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1cc(F)c(C[NH+](C)C)c(F)c1 ZINC001171369181 932888792 /nfs/dbraw/zinc/88/87/92/932888792.db2.gz QHZIPVLRPPWNIM-SDBXPKJASA-N 1 2 299.321 1.674 20 30 CDEDLO CCCCc1nc(C[NH2+]CCCNC(=O)[C@@H](C)C#N)no1 ZINC001155827628 937677742 /nfs/dbraw/zinc/67/77/42/937677742.db2.gz CSWNZZZNFJZMGA-NSHDSACASA-N 1 2 293.371 1.168 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000383864162 933957119 /nfs/dbraw/zinc/95/71/19/933957119.db2.gz SNZULOPVOLQNGE-HJWRWDBZSA-N 1 2 254.333 1.477 20 30 CDEDLO N#CCC[N@H+](Cc1ccccn1)C[C@H]1CCNC(=O)CC1 ZINC001412949530 935108082 /nfs/dbraw/zinc/10/80/82/935108082.db2.gz OBGOOCMXLYQANR-CQSZACIVSA-N 1 2 286.379 1.714 20 30 CDEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@H]1CCNC(=O)CC1 ZINC001412949530 935108086 /nfs/dbraw/zinc/10/80/86/935108086.db2.gz OBGOOCMXLYQANR-CQSZACIVSA-N 1 2 286.379 1.714 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC001008997345 935417565 /nfs/dbraw/zinc/41/75/65/935417565.db2.gz WXVJOSXRBUKIMN-TZMCWYRMSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC001008997345 935417567 /nfs/dbraw/zinc/41/75/67/935417567.db2.gz WXVJOSXRBUKIMN-TZMCWYRMSA-N 1 2 286.803 1.746 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(C)c1 ZINC001017444019 935639423 /nfs/dbraw/zinc/63/94/23/935639423.db2.gz RPICXJSZNPBUMZ-GASCZTMLSA-N 1 2 269.348 1.312 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(C)c1 ZINC001017444019 935639425 /nfs/dbraw/zinc/63/94/25/935639425.db2.gz RPICXJSZNPBUMZ-GASCZTMLSA-N 1 2 269.348 1.312 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnn1C1CCC1 ZINC001017561377 935642503 /nfs/dbraw/zinc/64/25/03/935642503.db2.gz WCFAFKNNHUGKFS-GASCZTMLSA-N 1 2 298.390 1.530 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnn1C1CCC1 ZINC001017561377 935642508 /nfs/dbraw/zinc/64/25/08/935642508.db2.gz WCFAFKNNHUGKFS-GASCZTMLSA-N 1 2 298.390 1.530 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@@H](C)O1 ZINC001017881507 935653044 /nfs/dbraw/zinc/65/30/44/935653044.db2.gz AFQHTVJOPARHDE-KBXIAJHMSA-N 1 2 276.380 1.252 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@@H](C)O1 ZINC001017881507 935653046 /nfs/dbraw/zinc/65/30/46/935653046.db2.gz AFQHTVJOPARHDE-KBXIAJHMSA-N 1 2 276.380 1.252 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)c1cccnc1 ZINC001018024685 935658656 /nfs/dbraw/zinc/65/86/56/935658656.db2.gz RHVFJJXCDYHCQC-OIISXLGYSA-N 1 2 297.402 1.884 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)c1cccnc1 ZINC001018024685 935658659 /nfs/dbraw/zinc/65/86/59/935658659.db2.gz RHVFJJXCDYHCQC-OIISXLGYSA-N 1 2 297.402 1.884 20 30 CDEDLO CCc1cnc(C[NH2+][C@H]2CCN(C(=O)C#CC3CC3)C2)o1 ZINC001018827205 935685455 /nfs/dbraw/zinc/68/54/55/935685455.db2.gz PUHITYQULPMFLC-ZDUSSCGKSA-N 1 2 287.363 1.341 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(C2CC2)n1 ZINC001038786932 935756902 /nfs/dbraw/zinc/75/69/02/935756902.db2.gz VBARQROTORPWPM-LBPRGKRZSA-N 1 2 273.336 1.379 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1coc(C2CC2)n1 ZINC001038786932 935756905 /nfs/dbraw/zinc/75/69/05/935756905.db2.gz VBARQROTORPWPM-LBPRGKRZSA-N 1 2 273.336 1.379 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCOC[C@@H](O)C2)ccc1Cl ZINC001238189762 945125594 /nfs/dbraw/zinc/12/55/94/945125594.db2.gz WCVVBTIXDPQBRD-LBPRGKRZSA-N 1 2 266.728 1.405 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCOC[C@@H](O)C2)ccc1Cl ZINC001238189762 945125601 /nfs/dbraw/zinc/12/56/01/945125601.db2.gz WCVVBTIXDPQBRD-LBPRGKRZSA-N 1 2 266.728 1.405 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2Cc3ccccc3CO2)C1 ZINC001044248029 935855243 /nfs/dbraw/zinc/85/52/43/935855243.db2.gz BMPQGYNYOSFREL-KRWDZBQOSA-N 1 2 298.386 1.294 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccnc(C)n2)C1 ZINC001046844603 935977494 /nfs/dbraw/zinc/97/74/94/935977494.db2.gz RSLXLEGNIYDBOQ-AWEZNQCLSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccnc(C)n2)C1 ZINC001046844603 935977495 /nfs/dbraw/zinc/97/74/95/935977495.db2.gz RSLXLEGNIYDBOQ-AWEZNQCLSA-N 1 2 294.786 1.732 20 30 CDEDLO C=CCS(=O)(=O)Nc1cccn2c(C)c(C)[nH+]c12 ZINC001259923698 935987515 /nfs/dbraw/zinc/98/75/15/935987515.db2.gz XGKFGRQMLKBPLT-UHFFFAOYSA-N 1 2 265.338 1.879 20 30 CDEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sc(C)cc2C)C1 ZINC001047397731 936002338 /nfs/dbraw/zinc/00/23/38/936002338.db2.gz GQKOGUBMUIHNQU-STQMWFEESA-N 1 2 292.404 1.115 20 30 CDEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sc(C)cc2C)C1 ZINC001047397731 936002341 /nfs/dbraw/zinc/00/23/41/936002341.db2.gz GQKOGUBMUIHNQU-STQMWFEESA-N 1 2 292.404 1.115 20 30 CDEDLO Cc1nc(N2CC[C@H](NC(=O)C#CC(C)(C)C)C2)cc[nH+]1 ZINC001096365132 936052169 /nfs/dbraw/zinc/05/21/69/936052169.db2.gz TZWQLXAVWZROEG-ZDUSSCGKSA-N 1 2 286.379 1.529 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1scnc1C)C2 ZINC001096840774 936226658 /nfs/dbraw/zinc/22/66/58/936226658.db2.gz XGZLIGHQJHIDBZ-UTUOFQBUSA-N 1 2 275.377 1.420 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1scnc1C)C2 ZINC001096840774 936226661 /nfs/dbraw/zinc/22/66/61/936226661.db2.gz XGZLIGHQJHIDBZ-UTUOFQBUSA-N 1 2 275.377 1.420 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122456441 937933322 /nfs/dbraw/zinc/93/33/22/937933322.db2.gz BPOSHWYEDLAFRV-DOMZBBRYSA-N 1 2 292.383 1.276 20 30 CDEDLO N#Cc1cc(Cl)nc(N[C@@H]2CCC[N@@H+](C3COC3)C2)c1 ZINC001157581140 938515361 /nfs/dbraw/zinc/51/53/61/938515361.db2.gz VQFPPDIKUOLGHT-LLVKDONJSA-N 1 2 292.770 1.882 20 30 CDEDLO N#Cc1cc(Cl)nc(N[C@@H]2CCC[N@H+](C3COC3)C2)c1 ZINC001157581140 938515362 /nfs/dbraw/zinc/51/53/62/938515362.db2.gz VQFPPDIKUOLGHT-LLVKDONJSA-N 1 2 292.770 1.882 20 30 CDEDLO COc1cc(N2CCN(c3cncc(C#N)n3)CC2)cc[nH+]1 ZINC001158097625 938582529 /nfs/dbraw/zinc/58/25/29/938582529.db2.gz DDVKINBZIFQSMV-UHFFFAOYSA-N 1 2 296.334 1.078 20 30 CDEDLO CN(CC#N)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158300656 938605342 /nfs/dbraw/zinc/60/53/42/938605342.db2.gz JKBKTQQOACGVGV-CQSZACIVSA-N 1 2 289.383 1.110 20 30 CDEDLO C=C(C)CCC(=O)NCCC[NH2+][C@@H](C)c1noc(C)n1 ZINC001159032871 938694021 /nfs/dbraw/zinc/69/40/21/938694021.db2.gz YJBFPQTVJISGGA-NSHDSACASA-N 1 2 280.372 1.891 20 30 CDEDLO N#Cc1cc(F)cnc1NC1CN(c2cccc[nH+]2)C1 ZINC001161319095 938887850 /nfs/dbraw/zinc/88/78/50/938887850.db2.gz KFMHHMIMMJOVSW-UHFFFAOYSA-N 1 2 269.283 1.788 20 30 CDEDLO C=CC(C)(C)C(=O)NCCC[NH2+]Cc1noc(CCC)n1 ZINC001163948681 939360162 /nfs/dbraw/zinc/36/01/62/939360162.db2.gz POGGOWVXQUGCJH-UHFFFAOYSA-N 1 2 294.399 1.830 20 30 CDEDLO C#CCC[NH2+]CC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001205348537 939884455 /nfs/dbraw/zinc/88/44/55/939884455.db2.gz DYNDMBJJPKAESL-NSHDSACASA-N 1 2 294.292 1.738 20 30 CDEDLO C#CCC[NH2+]CC1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001205348537 939884460 /nfs/dbraw/zinc/88/44/60/939884460.db2.gz DYNDMBJJPKAESL-NSHDSACASA-N 1 2 294.292 1.738 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)cn2)C[C@H]1C ZINC001206640158 940074679 /nfs/dbraw/zinc/07/46/79/940074679.db2.gz FBTBZKRTZODLPP-MISXGVKJSA-N 1 2 290.342 1.317 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)cn2)C[C@H]1C ZINC001206640158 940074681 /nfs/dbraw/zinc/07/46/81/940074681.db2.gz FBTBZKRTZODLPP-MISXGVKJSA-N 1 2 290.342 1.317 20 30 CDEDLO Cc1nc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C2)cs1 ZINC001206662340 940075474 /nfs/dbraw/zinc/07/54/74/940075474.db2.gz HIUTYGYOMWKRFA-OPQQBVKSSA-N 1 2 292.408 1.548 20 30 CDEDLO Cc1nc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C2)cs1 ZINC001206662340 940075478 /nfs/dbraw/zinc/07/54/78/940075478.db2.gz HIUTYGYOMWKRFA-OPQQBVKSSA-N 1 2 292.408 1.548 20 30 CDEDLO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001207029323 940132316 /nfs/dbraw/zinc/13/23/16/940132316.db2.gz HXGSMAMMXDRFPQ-OPRDCNLKSA-N 1 2 280.265 1.347 20 30 CDEDLO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001207029323 940132320 /nfs/dbraw/zinc/13/23/20/940132320.db2.gz HXGSMAMMXDRFPQ-OPRDCNLKSA-N 1 2 280.265 1.347 20 30 CDEDLO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001207029323 940132323 /nfs/dbraw/zinc/13/23/23/940132323.db2.gz HXGSMAMMXDRFPQ-OPRDCNLKSA-N 1 2 280.265 1.347 20 30 CDEDLO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001207029323 940132326 /nfs/dbraw/zinc/13/23/26/940132326.db2.gz HXGSMAMMXDRFPQ-OPRDCNLKSA-N 1 2 280.265 1.347 20 30 CDEDLO C#CCCCC(=O)N1CCC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001207944022 940267338 /nfs/dbraw/zinc/26/73/38/940267338.db2.gz HWEOUNOCCNKHRC-CYBMUJFWSA-N 1 2 290.367 1.262 20 30 CDEDLO C=CCN(CC[N@@H+]1CCc2cnn(C)c2C1)C(=O)OCC ZINC001209020559 940425312 /nfs/dbraw/zinc/42/53/12/940425312.db2.gz JURPMMQUJOTXFX-UHFFFAOYSA-N 1 2 292.383 1.423 20 30 CDEDLO C=CCN(CC[N@H+]1CCc2cnn(C)c2C1)C(=O)OCC ZINC001209020559 940425313 /nfs/dbraw/zinc/42/53/13/940425313.db2.gz JURPMMQUJOTXFX-UHFFFAOYSA-N 1 2 292.383 1.423 20 30 CDEDLO Cc1[nH+]cc(Nc2c(C#N)cnn2-c2ncccn2)cc1N ZINC001210287285 940679032 /nfs/dbraw/zinc/67/90/32/940679032.db2.gz PLLKXIHIFQQVAK-UHFFFAOYSA-N 1 2 292.306 1.563 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)CC(C)C)[C@H](OC)C1 ZINC001213695156 940782962 /nfs/dbraw/zinc/78/29/62/940782962.db2.gz IUFKISOYHVQKMC-ZIAGYGMSSA-N 1 2 280.412 1.507 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)CC(C)C)[C@H](OC)C1 ZINC001213695156 940782964 /nfs/dbraw/zinc/78/29/64/940782964.db2.gz IUFKISOYHVQKMC-ZIAGYGMSSA-N 1 2 280.412 1.507 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](F)CCCCCC)[C@@H](O)C1 ZINC001220762092 941469796 /nfs/dbraw/zinc/46/97/96/941469796.db2.gz IBBDBZWVSMKNFW-MJBXVCDLSA-N 1 2 284.375 1.089 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)CCCCCC)[C@@H](O)C1 ZINC001220762092 941469797 /nfs/dbraw/zinc/46/97/97/941469797.db2.gz IBBDBZWVSMKNFW-MJBXVCDLSA-N 1 2 284.375 1.089 20 30 CDEDLO COc1ccc(OC)c(/C(=N/O)O[C@@H](C)C[NH+](C)C)c1 ZINC001223893044 941704885 /nfs/dbraw/zinc/70/48/85/941704885.db2.gz PQFLDQCSHIXIMH-PQJBRBTKSA-N 1 2 282.340 1.806 20 30 CDEDLO C#C[C@H](C)OCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001224729185 941786900 /nfs/dbraw/zinc/78/69/00/941786900.db2.gz CFVUSCVEKBSFCG-ZDUSSCGKSA-N 1 2 282.384 1.577 20 30 CDEDLO N#Cc1cc(N2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)ccc1F ZINC001277036630 941848890 /nfs/dbraw/zinc/84/88/90/941848890.db2.gz SQDLRLHATZXLDC-UHFFFAOYSA-N 1 2 297.337 1.743 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Oc1cccc(F)c1C#N ZINC001225975561 941936640 /nfs/dbraw/zinc/93/66/40/941936640.db2.gz SBHGVOLWITZJHI-LLVKDONJSA-N 1 2 264.300 1.797 20 30 CDEDLO COC(=O)c1cc(C#N)ccc1OC1C[NH+](C(C)C)C1 ZINC001226305442 941982808 /nfs/dbraw/zinc/98/28/08/941982808.db2.gz MNFJKZSSVJRZPN-UHFFFAOYSA-N 1 2 274.320 1.816 20 30 CDEDLO C=CCCC(=O)NC1CC[NH+](Cc2ncc(C)cn2)CC1 ZINC001226526921 942020753 /nfs/dbraw/zinc/02/07/53/942020753.db2.gz ARQVWXAVKLAOJD-UHFFFAOYSA-N 1 2 288.395 1.832 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nccc4ccncc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226565814 942027783 /nfs/dbraw/zinc/02/77/83/942027783.db2.gz GRGGWURXZXXJRS-GAAPNJIFSA-N 1 2 283.331 1.621 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nccc4ccncc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226565814 942027786 /nfs/dbraw/zinc/02/77/86/942027786.db2.gz GRGGWURXZXXJRS-GAAPNJIFSA-N 1 2 283.331 1.621 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2c(F)cccc2C#N)C1 ZINC001227287101 942163488 /nfs/dbraw/zinc/16/34/88/942163488.db2.gz FKBLAQFHHMLKCF-LLVKDONJSA-N 1 2 250.273 1.407 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2c(F)cccc2C#N)C1 ZINC001227287101 942163490 /nfs/dbraw/zinc/16/34/90/942163490.db2.gz FKBLAQFHHMLKCF-LLVKDONJSA-N 1 2 250.273 1.407 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cnc(F)c(Cl)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227966211 942249612 /nfs/dbraw/zinc/24/96/12/942249612.db2.gz VSVVBDTVMZOLRG-PDTZJJQMSA-N 1 2 284.718 1.865 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cnc(F)c(Cl)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227966211 942249614 /nfs/dbraw/zinc/24/96/14/942249614.db2.gz VSVVBDTVMZOLRG-PDTZJJQMSA-N 1 2 284.718 1.865 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)OCc1c[nH+]cn1C ZINC001524733951 970890618 /nfs/dbraw/zinc/89/06/18/970890618.db2.gz MHXGYEUGXVSIJJ-UHFFFAOYSA-N 1 2 255.277 1.957 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001316601511 942419895 /nfs/dbraw/zinc/41/98/95/942419895.db2.gz CSKXVKPULJZLBA-DOTOQJQBSA-N 1 2 292.423 1.771 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001316601511 942419898 /nfs/dbraw/zinc/41/98/98/942419898.db2.gz CSKXVKPULJZLBA-DOTOQJQBSA-N 1 2 292.423 1.771 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3n[nH]c4cc(F)ccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229176118 942428533 /nfs/dbraw/zinc/42/85/33/942428533.db2.gz XYDZKSMRPLFGDF-UBYSCORNSA-N 1 2 289.310 1.693 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3n[nH]c4cc(F)ccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229176118 942428534 /nfs/dbraw/zinc/42/85/34/942428534.db2.gz XYDZKSMRPLFGDF-UBYSCORNSA-N 1 2 289.310 1.693 20 30 CDEDLO C=CC(C)(C)C(=O)N(C)C[C@H]1CCN1Cc1c[nH+]cn1C ZINC001316603401 942437246 /nfs/dbraw/zinc/43/72/46/942437246.db2.gz WXGJGQQEXCDVNY-CYBMUJFWSA-N 1 2 290.411 1.665 20 30 CDEDLO C=CC(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cncn1C ZINC001316603401 942437248 /nfs/dbraw/zinc/43/72/48/942437248.db2.gz WXGJGQQEXCDVNY-CYBMUJFWSA-N 1 2 290.411 1.665 20 30 CDEDLO C=CC(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cncn1C ZINC001316603401 942437253 /nfs/dbraw/zinc/43/72/53/942437253.db2.gz WXGJGQQEXCDVNY-CYBMUJFWSA-N 1 2 290.411 1.665 20 30 CDEDLO N#CCN1CC[C@H](Oc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001229954271 942555657 /nfs/dbraw/zinc/55/56/57/942555657.db2.gz LUPXNPGEHHCILR-HNNXBMFYSA-N 1 2 268.320 1.849 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc[nH]1 ZINC001282355619 942693781 /nfs/dbraw/zinc/69/37/81/942693781.db2.gz PJYROFWXCAILRW-JTQLQIEISA-N 1 2 255.749 1.817 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc[nH]1 ZINC001282355619 942693784 /nfs/dbraw/zinc/69/37/84/942693784.db2.gz PJYROFWXCAILRW-JTQLQIEISA-N 1 2 255.749 1.817 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(CC)CC ZINC001231122679 942792109 /nfs/dbraw/zinc/79/21/09/942792109.db2.gz MUCZLBCIJDXVCK-CQSZACIVSA-N 1 2 295.427 1.354 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(CC)CC ZINC001231122679 942792107 /nfs/dbraw/zinc/79/21/07/942792107.db2.gz MUCZLBCIJDXVCK-CQSZACIVSA-N 1 2 295.427 1.354 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)CCC ZINC001231313437 942852770 /nfs/dbraw/zinc/85/27/70/942852770.db2.gz YLNOIRKSCWODBP-ZIAGYGMSSA-N 1 2 295.427 1.258 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)CCC ZINC001231313437 942852774 /nfs/dbraw/zinc/85/27/74/942852774.db2.gz YLNOIRKSCWODBP-ZIAGYGMSSA-N 1 2 295.427 1.258 20 30 CDEDLO CN(C)C(=O)[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232679274 943361503 /nfs/dbraw/zinc/36/15/03/943361503.db2.gz IKJSZXRMHBSNQF-ZDUSSCGKSA-N 1 2 287.363 1.564 20 30 CDEDLO CN(C)C(=O)[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232679274 943361509 /nfs/dbraw/zinc/36/15/09/943361509.db2.gz IKJSZXRMHBSNQF-ZDUSSCGKSA-N 1 2 287.363 1.564 20 30 CDEDLO C[C@]1(CO)C[N@H+](Cc2cc(F)ccc2C#N)CC[C@@H]1O ZINC001232888988 943426748 /nfs/dbraw/zinc/42/67/48/943426748.db2.gz XHWFZCHVOVQCAS-LSDHHAIUSA-N 1 2 278.327 1.263 20 30 CDEDLO C[C@]1(CO)C[N@@H+](Cc2cc(F)ccc2C#N)CC[C@@H]1O ZINC001232888988 943426750 /nfs/dbraw/zinc/42/67/50/943426750.db2.gz XHWFZCHVOVQCAS-LSDHHAIUSA-N 1 2 278.327 1.263 20 30 CDEDLO COC[C@@H]1Cn2nccc2C[N@H+](Cc2cccc(C#N)n2)C1 ZINC001232924966 943436333 /nfs/dbraw/zinc/43/63/33/943436333.db2.gz HPQOFDLUHCMEME-ZDUSSCGKSA-N 1 2 297.362 1.428 20 30 CDEDLO COC[C@@H]1Cn2nccc2C[N@@H+](Cc2cccc(C#N)n2)C1 ZINC001232924966 943436337 /nfs/dbraw/zinc/43/63/37/943436337.db2.gz HPQOFDLUHCMEME-ZDUSSCGKSA-N 1 2 297.362 1.428 20 30 CDEDLO CN1C(=O)CCC12CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001233049597 943477667 /nfs/dbraw/zinc/47/76/67/943477667.db2.gz REJRNGOKUCSBPD-UHFFFAOYSA-N 1 2 272.352 1.473 20 30 CDEDLO C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1ccc(C#N)cc1O)C2 ZINC001233387423 943574014 /nfs/dbraw/zinc/57/40/14/943574014.db2.gz ISFQOROASBQRBF-GDBMZVCRSA-N 1 2 271.364 1.647 20 30 CDEDLO COC(=O)c1ccc(C[NH+]2CC(CC#N)C2)cc1OC ZINC001233490866 943599160 /nfs/dbraw/zinc/59/91/60/943599160.db2.gz PHDRIYGCMOWOQZ-UHFFFAOYSA-N 1 2 274.320 1.827 20 30 CDEDLO Cc1nocc1C[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234117666 943746173 /nfs/dbraw/zinc/74/61/73/943746173.db2.gz ASOJUGRUZUDFFJ-OAHLLOKOSA-N 1 2 289.379 1.675 20 30 CDEDLO Cc1nocc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234117666 943746176 /nfs/dbraw/zinc/74/61/76/943746176.db2.gz ASOJUGRUZUDFFJ-OAHLLOKOSA-N 1 2 289.379 1.675 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc4c(cccc4O)[nH]3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234445773 943840728 /nfs/dbraw/zinc/84/07/28/943840728.db2.gz BVXJRFXGNPFZDH-LEGMNPEXSA-N 1 2 287.319 1.260 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc4c(cccc4O)[nH]3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234445773 943840733 /nfs/dbraw/zinc/84/07/33/943840733.db2.gz BVXJRFXGNPFZDH-LEGMNPEXSA-N 1 2 287.319 1.260 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(COC)CCCCC1 ZINC001235088348 944048010 /nfs/dbraw/zinc/04/80/10/944048010.db2.gz GDJAMSXEPYONMC-OAHLLOKOSA-N 1 2 292.423 1.749 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(COC)CCCCC1 ZINC001235088348 944048020 /nfs/dbraw/zinc/04/80/20/944048020.db2.gz GDJAMSXEPYONMC-OAHLLOKOSA-N 1 2 292.423 1.749 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(CC(C)C)CC1 ZINC001235191885 944082646 /nfs/dbraw/zinc/08/26/46/944082646.db2.gz JSOBTBWVRHHLGW-AWEZNQCLSA-N 1 2 262.397 1.979 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(CC(C)C)CC1 ZINC001235191885 944082652 /nfs/dbraw/zinc/08/26/52/944082652.db2.gz JSOBTBWVRHHLGW-AWEZNQCLSA-N 1 2 262.397 1.979 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1cn(C(C)C)nn1 ZINC001235437255 944156130 /nfs/dbraw/zinc/15/61/30/944156130.db2.gz XMUQKYKWIQUSSS-UHFFFAOYSA-N 1 2 293.415 1.763 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1cn(C(C)C)nn1 ZINC001235437255 944156133 /nfs/dbraw/zinc/15/61/33/944156133.db2.gz XMUQKYKWIQUSSS-UHFFFAOYSA-N 1 2 293.415 1.763 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1C1CCN(C(=O)c2ccccc2)CC1 ZINC001258642548 945383228 /nfs/dbraw/zinc/38/32/28/945383228.db2.gz HRDCQCDRONOTRH-INIZCTEOSA-N 1 2 298.390 1.089 20 30 CDEDLO Cc1ccsc1S(=O)(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001260072293 945786664 /nfs/dbraw/zinc/78/66/64/945786664.db2.gz OIVOGSJEHPONBU-UHFFFAOYSA-N 1 2 299.421 1.323 20 30 CDEDLO Cc1cc(N(C)C)[nH+]cc1-c1nc(C#N)c(C#N)nc1C ZINC001241241193 946198340 /nfs/dbraw/zinc/19/83/40/946198340.db2.gz ZFRKLDLWRVVPTF-UHFFFAOYSA-N 1 2 278.319 1.965 20 30 CDEDLO C#C[C@H](CC)NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001261660912 946221082 /nfs/dbraw/zinc/22/10/82/946221082.db2.gz ZLDPYEGAHGBPTH-UONOGXRCSA-N 1 2 288.395 1.796 20 30 CDEDLO Cc1nc[nH]c1C[N@@H+]1CC[C@@H]2C[C@@]21C(=O)N1CC(CC#N)C1 ZINC001278354965 946923055 /nfs/dbraw/zinc/92/30/55/946923055.db2.gz RGCUPHPSXDHSTE-CJNGLKHVSA-N 1 2 299.378 1.055 20 30 CDEDLO Cc1nc[nH]c1C[N@H+]1CC[C@@H]2C[C@@]21C(=O)N1CC(CC#N)C1 ZINC001278354965 946923058 /nfs/dbraw/zinc/92/30/58/946923058.db2.gz RGCUPHPSXDHSTE-CJNGLKHVSA-N 1 2 299.378 1.055 20 30 CDEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1[C@@H](C)COC ZINC001255568328 947992488 /nfs/dbraw/zinc/99/24/88/947992488.db2.gz BAWFQBLIOBKPTC-JSGCOSHPSA-N 1 2 294.399 1.435 20 30 CDEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1[C@@H](C)COC ZINC001255568328 947992495 /nfs/dbraw/zinc/99/24/95/947992495.db2.gz BAWFQBLIOBKPTC-JSGCOSHPSA-N 1 2 294.399 1.435 20 30 CDEDLO N#CC1([NH2+]C2CCC3(COC3)CC2)CCOCC1 ZINC001257901240 948658705 /nfs/dbraw/zinc/65/87/05/948658705.db2.gz BMGQOPOAMCPRMK-UHFFFAOYSA-N 1 2 250.342 1.608 20 30 CDEDLO COC[C@H]([NH3+])c1nc(-c2ccc(C#N)c(C)c2)no1 ZINC001248185926 948959865 /nfs/dbraw/zinc/95/98/65/948959865.db2.gz GTMJBIFKWYDXRT-NSHDSACASA-N 1 2 258.281 1.563 20 30 CDEDLO CCOC(=O)c1cc(C[NH+]2CCC(S)CC2)nn1C ZINC001250544340 950250288 /nfs/dbraw/zinc/25/02/88/950250288.db2.gz CHLLJSFIDBGCHQ-UHFFFAOYSA-N 1 2 283.397 1.491 20 30 CDEDLO CCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001252130750 951153679 /nfs/dbraw/zinc/15/36/79/951153679.db2.gz XLXGONDXNRQLDX-MJBXVCDLSA-N 1 2 288.407 1.996 20 30 CDEDLO CCCCCCCC[C@@H](O)C[N@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001252130750 951153681 /nfs/dbraw/zinc/15/36/81/951153681.db2.gz XLXGONDXNRQLDX-MJBXVCDLSA-N 1 2 288.407 1.996 20 30 CDEDLO C=CCOC[C@@H](O)C[NH+]1CC(OCc2ccccc2)C1 ZINC001252466341 951310966 /nfs/dbraw/zinc/31/09/66/951310966.db2.gz OSLMJPQAZDTSQQ-HNNXBMFYSA-N 1 2 277.364 1.451 20 30 CDEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+]C[C@@](C)(O)C=C ZINC001252574357 951465823 /nfs/dbraw/zinc/46/58/23/951465823.db2.gz NZPXMLOHXPVOAQ-JSGCOSHPSA-N 1 2 255.358 1.657 20 30 CDEDLO C=C[C@@H](O)C[N@H+](Cc1cnc[nH]1)Cc1ccccc1 ZINC001253584030 951974572 /nfs/dbraw/zinc/97/45/72/951974572.db2.gz CSCZCRLRMQGPMP-OAHLLOKOSA-N 1 2 257.337 1.959 20 30 CDEDLO C=C[C@@H](O)C[N@@H+](Cc1cnc[nH]1)Cc1ccccc1 ZINC001253584030 951974580 /nfs/dbraw/zinc/97/45/80/951974580.db2.gz CSCZCRLRMQGPMP-OAHLLOKOSA-N 1 2 257.337 1.959 20 30 CDEDLO COc1ccc(NC(=O)Cc2c[nH+]cn2C)cc1C#N ZINC001363528143 953415866 /nfs/dbraw/zinc/41/58/66/953415866.db2.gz GIAVQTYIYJNRGP-UHFFFAOYSA-N 1 2 270.292 1.482 20 30 CDEDLO C=CC[C@@H]1NC(=O)N(Cc2cc(C)[nH+]c(C)c2)C1=O ZINC001325491662 953926454 /nfs/dbraw/zinc/92/64/54/953926454.db2.gz FZRNRFFDQHNDJZ-LBPRGKRZSA-N 1 2 259.309 1.695 20 30 CDEDLO CS(=O)(=O)c1ccc(C=NNCC[NH+]2CCCCC2)o1 ZINC001326824927 954574858 /nfs/dbraw/zinc/57/48/58/954574858.db2.gz ZONVBQIPPMWHAU-UHFFFAOYSA-N 1 2 299.396 1.093 20 30 CDEDLO COC(=O)c1ccc(NCc2[nH]c(C)c(C)[nH+]2)c(C#N)n1 ZINC001364589350 954855305 /nfs/dbraw/zinc/85/53/05/954855305.db2.gz DJMGPHNIYNCCKH-UHFFFAOYSA-N 1 2 285.307 1.692 20 30 CDEDLO COCC#CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001327756276 955030571 /nfs/dbraw/zinc/03/05/71/955030571.db2.gz UWYJXCNVUKKUFL-UHFFFAOYSA-N 1 2 288.347 1.107 20 30 CDEDLO N#CCOc1cccc(NC(=O)NCc2ccc[nH+]c2N)c1 ZINC001365013469 955498900 /nfs/dbraw/zinc/49/89/00/955498900.db2.gz SHFQPGBSXKUDBI-UHFFFAOYSA-N 1 2 297.318 1.888 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2(COC)CC2)C1 ZINC001422721175 956289430 /nfs/dbraw/zinc/28/94/30/956289430.db2.gz BJYZSVNXBKPNCN-LLVKDONJSA-N 1 2 286.803 1.602 20 30 CDEDLO C#C[C@@H](CO)[NH2+]Cc1cnn(Cc2ccccc2)c1Cl ZINC001308883435 956592947 /nfs/dbraw/zinc/59/29/47/956592947.db2.gz SNBHUVCFPOCQBI-AWEZNQCLSA-N 1 2 289.766 1.669 20 30 CDEDLO C=C(Cl)CN(C)CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001367537712 958116486 /nfs/dbraw/zinc/11/64/86/958116486.db2.gz UUCJNVUWZXEOPK-CYBMUJFWSA-N 1 2 298.818 1.977 20 30 CDEDLO CN(C)c1cccc(Cl)c1C=NN1CC[NH+](C)CC1 ZINC001319689622 958688680 /nfs/dbraw/zinc/68/86/80/958688680.db2.gz VQCQTLKIUDRRAK-UHFFFAOYSA-N 1 2 280.803 1.987 20 30 CDEDLO C#CC[N@H+](CC1CC1)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC001335590302 959913709 /nfs/dbraw/zinc/91/37/09/959913709.db2.gz NQUPTQMSOILQAJ-HNNXBMFYSA-N 1 2 275.352 1.010 20 30 CDEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC001335590302 959913725 /nfs/dbraw/zinc/91/37/25/959913725.db2.gz NQUPTQMSOILQAJ-HNNXBMFYSA-N 1 2 275.352 1.010 20 30 CDEDLO CC[C@@H](C(=O)N1CC[C@](F)(C#N)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001433907492 960754640 /nfs/dbraw/zinc/75/46/40/960754640.db2.gz STTXRHKIRAXXQQ-IPYPFGDCSA-N 1 2 297.374 1.340 20 30 CDEDLO CC[C@@H](C(=O)N1CC[C@](F)(C#N)C1)[N@H+]1CCO[C@H](CC)C1 ZINC001433907492 960754646 /nfs/dbraw/zinc/75/46/46/960754646.db2.gz STTXRHKIRAXXQQ-IPYPFGDCSA-N 1 2 297.374 1.340 20 30 CDEDLO C=C[C@H](COC)[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC001338311750 961741417 /nfs/dbraw/zinc/74/14/17/961741417.db2.gz LDVNQHSFOLEIFB-YPMHNXCESA-N 1 2 299.367 1.835 20 30 CDEDLO C#CCN(CC)c1nnc(C[NH+]2CCCCC2)n1C ZINC001338560071 961880053 /nfs/dbraw/zinc/88/00/53/961880053.db2.gz DEUHEWHUOULFRF-UHFFFAOYSA-N 1 2 261.373 1.261 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCOC(C)C ZINC001420545380 963040947 /nfs/dbraw/zinc/04/09/47/963040947.db2.gz LPVJOXPTOOVBQU-GFCCVEGCSA-N 1 2 276.808 1.991 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCOC(C)C ZINC001420545380 963040959 /nfs/dbraw/zinc/04/09/59/963040959.db2.gz LPVJOXPTOOVBQU-GFCCVEGCSA-N 1 2 276.808 1.991 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)Cc2cccnc2C)C1 ZINC001438137307 963337452 /nfs/dbraw/zinc/33/74/52/963337452.db2.gz KBACQSLXKKPSMY-UHFFFAOYSA-N 1 2 293.798 1.733 20 30 CDEDLO C=C(Cl)C[NH2+][C@@H](C)CNC(=O)c1ccc2[nH]nnc2c1 ZINC001442053066 964847261 /nfs/dbraw/zinc/84/72/61/964847261.db2.gz ZJMQRTRPEDXVKB-VIFPVBQESA-N 1 2 293.758 1.418 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)F)n2CC)CC1 ZINC001352786244 967478960 /nfs/dbraw/zinc/47/89/60/967478960.db2.gz VPIXIUXSKLROAV-UHFFFAOYSA-N 1 2 279.363 1.258 20 30 CDEDLO Cn1c(C#N)ccc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001465976265 969909704 /nfs/dbraw/zinc/90/97/04/969909704.db2.gz LOZQUFFUPRUBFV-UHFFFAOYSA-N 1 2 279.303 1.474 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1nocc1C ZINC001506033203 975097009 /nfs/dbraw/zinc/09/70/09/975097009.db2.gz FGHLJGMMPNUAMP-SNVBAGLBSA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1nocc1C ZINC001506033203 975097013 /nfs/dbraw/zinc/09/70/13/975097013.db2.gz FGHLJGMMPNUAMP-SNVBAGLBSA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1c(C)ncn1C ZINC001379065502 975634597 /nfs/dbraw/zinc/63/45/97/975634597.db2.gz OJXPNCRFNBXIJW-UHFFFAOYSA-N 1 2 284.791 1.485 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1c(C)ncn1C ZINC001379065502 975634604 /nfs/dbraw/zinc/63/46/04/975634604.db2.gz OJXPNCRFNBXIJW-UHFFFAOYSA-N 1 2 284.791 1.485 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CCOC)C1 ZINC001405140846 975645515 /nfs/dbraw/zinc/64/55/15/975645515.db2.gz KPZDTDKONUHEKP-LBPRGKRZSA-N 1 2 274.792 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CCOC)C1 ZINC001405140846 975645521 /nfs/dbraw/zinc/64/55/21/975645521.db2.gz KPZDTDKONUHEKP-LBPRGKRZSA-N 1 2 274.792 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](CCC)OC ZINC001406126003 976047561 /nfs/dbraw/zinc/04/75/61/976047561.db2.gz NYDOTBYFWGTLKL-LBPRGKRZSA-N 1 2 276.808 1.944 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](CCC)OC ZINC001406126003 976047574 /nfs/dbraw/zinc/04/75/74/976047574.db2.gz NYDOTBYFWGTLKL-LBPRGKRZSA-N 1 2 276.808 1.944 20 30 CDEDLO N#Cc1cc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)cs1 ZINC001514793483 976346697 /nfs/dbraw/zinc/34/66/97/976346697.db2.gz LDSQVHWEEBZJRI-SNVBAGLBSA-N 1 2 268.313 1.820 20 30 CDEDLO N#Cc1cc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)cs1 ZINC001514793483 976346706 /nfs/dbraw/zinc/34/67/06/976346706.db2.gz LDSQVHWEEBZJRI-SNVBAGLBSA-N 1 2 268.313 1.820 20 30 CDEDLO CO[C@H](C)C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001390741375 976475381 /nfs/dbraw/zinc/47/53/81/976475381.db2.gz QENHFNPCQFRRFK-GFCCVEGCSA-N 1 2 275.352 1.141 20 30 CDEDLO CO[C@H](C)C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001390741375 976475383 /nfs/dbraw/zinc/47/53/83/976475383.db2.gz QENHFNPCQFRRFK-GFCCVEGCSA-N 1 2 275.352 1.141 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)COC)C1 ZINC001391597934 976980547 /nfs/dbraw/zinc/98/05/47/976980547.db2.gz CREABKRMZRBBER-JTQLQIEISA-N 1 2 291.189 1.074 20 30 CDEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(N)=O)C2)CC1 ZINC001132290187 1163233697 /nfs/dbraw/zinc/23/36/97/1163233697.db2.gz BDZWSTBYMGRUBM-QWHCGFSZSA-N 1 2 293.411 1.187 20 30 CDEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(N)=O)C2)CC1 ZINC001132290187 1163233701 /nfs/dbraw/zinc/23/37/01/1163233701.db2.gz BDZWSTBYMGRUBM-QWHCGFSZSA-N 1 2 293.411 1.187 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001132332445 1163244365 /nfs/dbraw/zinc/24/43/65/1163244365.db2.gz UOBCJWIOFDTHPX-VXGBXAGGSA-N 1 2 281.400 1.043 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001132332445 1163244369 /nfs/dbraw/zinc/24/43/69/1163244369.db2.gz UOBCJWIOFDTHPX-VXGBXAGGSA-N 1 2 281.400 1.043 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1ncccn1 ZINC001132569535 1163379269 /nfs/dbraw/zinc/37/92/69/1163379269.db2.gz UEWWBDXVBVAYKC-NWDGAFQWSA-N 1 2 262.357 1.141 20 30 CDEDLO C=C1CCC(C(=O)NCC[NH2+][C@@H](C)c2nc(C)no2)CC1 ZINC001133375891 1163668040 /nfs/dbraw/zinc/66/80/40/1163668040.db2.gz NDEMFYYRSJBYGN-NSHDSACASA-N 1 2 292.383 1.891 20 30 CDEDLO N#Cc1cccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000589383424 342504886 /nfs/dbraw/zinc/50/48/86/342504886.db2.gz CFNNXXVNDYWJHC-LLVKDONJSA-N 1 2 281.319 1.696 20 30 CDEDLO CC1(C)C[C@]1(C#N)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000589980961 342517991 /nfs/dbraw/zinc/51/79/91/342517991.db2.gz POZCPRHZFHYGSU-IINYFYTJSA-N 1 2 258.325 1.254 20 30 CDEDLO Cc1noc([C@@H](C)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000590004546 342518848 /nfs/dbraw/zinc/51/88/48/342518848.db2.gz GWERCTGXGKVICL-MFKMUULPSA-N 1 2 299.334 1.859 20 30 CDEDLO Cc1noc([C@@H](C)[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000590004546 342518849 /nfs/dbraw/zinc/51/88/49/342518849.db2.gz GWERCTGXGKVICL-MFKMUULPSA-N 1 2 299.334 1.859 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590216178 342525523 /nfs/dbraw/zinc/52/55/23/342525523.db2.gz RZXFUZCNIFHMGY-AWEZNQCLSA-N 1 2 295.346 1.936 20 30 CDEDLO Cc1onc(CC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1C#N ZINC000611528040 346812921 /nfs/dbraw/zinc/81/29/21/346812921.db2.gz QFBNDSRUEQSFLR-LBPRGKRZSA-N 1 2 299.334 1.457 20 30 CDEDLO CC[N@@H+]1CCN(S(=O)(=O)CC2(CC#N)CC2)C[C@@H]1C ZINC000590750830 342587203 /nfs/dbraw/zinc/58/72/03/342587203.db2.gz FOPOKDJQUYCVRK-LBPRGKRZSA-N 1 2 285.413 1.036 20 30 CDEDLO CC[N@H+]1CCN(S(=O)(=O)CC2(CC#N)CC2)C[C@@H]1C ZINC000590750830 342587204 /nfs/dbraw/zinc/58/72/04/342587204.db2.gz FOPOKDJQUYCVRK-LBPRGKRZSA-N 1 2 285.413 1.036 20 30 CDEDLO COc1cc(C)cc(NC[C@H](O)C[N@H+](C)CCC#N)c1C ZINC000591777232 342646242 /nfs/dbraw/zinc/64/62/42/342646242.db2.gz XZAAMJLBDKIPOW-AWEZNQCLSA-N 1 2 291.395 1.930 20 30 CDEDLO COc1cc(C)cc(NC[C@H](O)C[N@@H+](C)CCC#N)c1C ZINC000591777232 342646243 /nfs/dbraw/zinc/64/62/43/342646243.db2.gz XZAAMJLBDKIPOW-AWEZNQCLSA-N 1 2 291.395 1.930 20 30 CDEDLO Cc1cc(NCCOC[C@H]2CCCO2)c(C#N)c[nH+]1 ZINC000591820142 342647558 /nfs/dbraw/zinc/64/75/58/342647558.db2.gz CDHSTHBSXQFPAD-CYBMUJFWSA-N 1 2 261.325 1.291 20 30 CDEDLO Cc1cnc(CCNc2cc(C)[nH+]cc2C#N)nc1 ZINC000591821852 342647596 /nfs/dbraw/zinc/64/75/96/342647596.db2.gz LVAUAQIJJYAQSI-UHFFFAOYSA-N 1 2 253.309 1.437 20 30 CDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592146517 342673173 /nfs/dbraw/zinc/67/31/73/342673173.db2.gz COXFYDPKOGFYIP-VNHYZAJKSA-N 1 2 279.384 1.032 20 30 CDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592146517 342673174 /nfs/dbraw/zinc/67/31/74/342673174.db2.gz COXFYDPKOGFYIP-VNHYZAJKSA-N 1 2 279.384 1.032 20 30 CDEDLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)s1 ZINC000592150831 342668793 /nfs/dbraw/zinc/66/87/93/342668793.db2.gz HKMHZRNJBMDZMH-KCJUWKMLSA-N 1 2 252.343 1.258 20 30 CDEDLO Cc1nnc([C@@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)s1 ZINC000592150831 342668794 /nfs/dbraw/zinc/66/87/94/342668794.db2.gz HKMHZRNJBMDZMH-KCJUWKMLSA-N 1 2 252.343 1.258 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@@]2(CCOC2)O1 ZINC000330069796 529384726 /nfs/dbraw/zinc/38/47/26/529384726.db2.gz HNJACEHPXOVJFC-UKRRQHHQSA-N 1 2 282.384 1.623 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@@]2(CCOC2)O1 ZINC000330069796 529384730 /nfs/dbraw/zinc/38/47/30/529384730.db2.gz HNJACEHPXOVJFC-UKRRQHHQSA-N 1 2 282.384 1.623 20 30 CDEDLO C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1CCCC1 ZINC000593154459 342774270 /nfs/dbraw/zinc/77/42/70/342774270.db2.gz SMTKIPUZNVZGNY-RISCZKNCSA-N 1 2 251.374 1.773 20 30 CDEDLO C[C@@H]([NH2+][C@H](C)c1ccon1)C(=O)NC1(C#N)CCC1 ZINC000527298676 361888322 /nfs/dbraw/zinc/88/83/22/361888322.db2.gz CNBIJALOUKWTTF-NXEZZACHSA-N 1 2 262.313 1.276 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000593390247 342793763 /nfs/dbraw/zinc/79/37/63/342793763.db2.gz COMXPCRKDYAUAT-CQSZACIVSA-N 1 2 272.352 1.276 20 30 CDEDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000593660754 342819677 /nfs/dbraw/zinc/81/96/77/342819677.db2.gz FDUYRRABGPRVOS-CABCVRRESA-N 1 2 299.378 1.990 20 30 CDEDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000593660754 342819679 /nfs/dbraw/zinc/81/96/79/342819679.db2.gz FDUYRRABGPRVOS-CABCVRRESA-N 1 2 299.378 1.990 20 30 CDEDLO CC[C@@H](C#N)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000593669199 342820570 /nfs/dbraw/zinc/82/05/70/342820570.db2.gz XERRBSBFDAPCGD-LBPRGKRZSA-N 1 2 267.373 1.105 20 30 CDEDLO CC[C@@H](C#N)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000593669199 342820572 /nfs/dbraw/zinc/82/05/72/342820572.db2.gz XERRBSBFDAPCGD-LBPRGKRZSA-N 1 2 267.373 1.105 20 30 CDEDLO CC1(C)C[NH+](CC(=O)NCc2ccc(C#N)s2)C1 ZINC000594372941 342892658 /nfs/dbraw/zinc/89/26/58/342892658.db2.gz IPKSJXQDJJCPSG-UHFFFAOYSA-N 1 2 263.366 1.578 20 30 CDEDLO COc1c(C)[nH+]cnc1NCCOc1ccc(C#N)cc1 ZINC000594554512 342916855 /nfs/dbraw/zinc/91/68/55/342916855.db2.gz VYRYYZPRHSRFKO-UHFFFAOYSA-N 1 2 284.319 1.578 20 30 CDEDLO Cc1c[nH+]c(CCNc2ccc(C#N)nn2)c(C)c1 ZINC000594597482 342919757 /nfs/dbraw/zinc/91/97/57/342919757.db2.gz VNWCLTNMHFPKSV-UHFFFAOYSA-N 1 2 253.309 1.437 20 30 CDEDLO N#CC1(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000619534154 349793607 /nfs/dbraw/zinc/79/36/07/349793607.db2.gz XSDJNOTVNLRJMT-GFCCVEGCSA-N 1 2 273.340 1.533 20 30 CDEDLO CN(C)c1ccc(CNC(=O)c2cnccc2C#N)c[nH+]1 ZINC000341725250 362023249 /nfs/dbraw/zinc/02/32/49/362023249.db2.gz XZWBNDXACKHCFE-UHFFFAOYSA-N 1 2 281.319 1.344 20 30 CDEDLO COC(=O)c1cnoc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595622821 343111584 /nfs/dbraw/zinc/11/15/84/343111584.db2.gz DQUCNKBKZWCNEI-JTQLQIEISA-N 1 2 263.297 1.587 20 30 CDEDLO COC(=O)c1cnoc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595622821 343111585 /nfs/dbraw/zinc/11/15/85/343111585.db2.gz DQUCNKBKZWCNEI-JTQLQIEISA-N 1 2 263.297 1.587 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C/C1CC1 ZINC000079844503 342347878 /nfs/dbraw/zinc/34/78/78/342347878.db2.gz PLRMFDPNKFNUHN-SNAWJCMRSA-N 1 2 277.368 1.027 20 30 CDEDLO C[C@H]1CCN(c2cc(C#N)cnn2)C[C@H]1n1cc[nH+]c1 ZINC000596158207 343255295 /nfs/dbraw/zinc/25/52/95/343255295.db2.gz UAJVESFMLJGNQY-WCQYABFASA-N 1 2 268.324 1.632 20 30 CDEDLO CC1(C)CCCN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330235995 362186650 /nfs/dbraw/zinc/18/66/50/362186650.db2.gz ADFZRRDIGKTSAV-LLVKDONJSA-N 1 2 262.357 1.986 20 30 CDEDLO CC1(C)CCCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330235995 362186651 /nfs/dbraw/zinc/18/66/51/362186651.db2.gz ADFZRRDIGKTSAV-LLVKDONJSA-N 1 2 262.357 1.986 20 30 CDEDLO CCC(CC)[C@H](C(=O)Nc1ncn(C)n1)[NH+]1CCOCC1 ZINC000329413450 282258426 /nfs/dbraw/zinc/25/84/26/282258426.db2.gz CHPSGTKQHJDRRX-GFCCVEGCSA-N 1 2 295.387 1.540 20 30 CDEDLO CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1(C#N)CCC1 ZINC000596911788 343415334 /nfs/dbraw/zinc/41/53/34/343415334.db2.gz YZROKNICURBNJA-NSHDSACASA-N 1 2 258.325 1.350 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)OC ZINC000597118390 343458732 /nfs/dbraw/zinc/45/87/32/343458732.db2.gz XXNUFHFWBHQPKV-YVECIDJPSA-N 1 2 253.342 1.509 20 30 CDEDLO CCC#C[C@H](C)[NH+]1CCN(CC(=O)N[C@H](C)CC)CC1 ZINC000677047076 482520199 /nfs/dbraw/zinc/52/01/99/482520199.db2.gz RDORGADZICADIF-CABCVRRESA-N 1 2 279.428 1.321 20 30 CDEDLO CCC(CC)C[N@H+](CCC#N)CCS(=O)(=O)NC ZINC000598594998 343840270 /nfs/dbraw/zinc/84/02/70/343840270.db2.gz KHWXRSKWHRWABL-UHFFFAOYSA-N 1 2 275.418 1.187 20 30 CDEDLO CCC(CC)C[N@@H+](CCC#N)CCS(=O)(=O)NC ZINC000598594998 343840273 /nfs/dbraw/zinc/84/02/73/343840273.db2.gz KHWXRSKWHRWABL-UHFFFAOYSA-N 1 2 275.418 1.187 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1OC(C)(C)C ZINC000598836478 343914577 /nfs/dbraw/zinc/91/45/77/343914577.db2.gz KHPPFQCZLBOGRG-GYSYKLTISA-N 1 2 267.373 1.150 20 30 CDEDLO N#Cc1c(F)cccc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598947309 343926703 /nfs/dbraw/zinc/92/67/03/343926703.db2.gz LRHLHYCGUJLASA-JTQLQIEISA-N 1 2 284.294 1.639 20 30 CDEDLO N#Cc1cccc(F)c1CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598949253 343933627 /nfs/dbraw/zinc/93/36/27/343933627.db2.gz XFGNFUWRYPQGAN-NSHDSACASA-N 1 2 284.294 1.177 20 30 CDEDLO CCC(C#N)(CC)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000599846878 344145677 /nfs/dbraw/zinc/14/56/77/344145677.db2.gz FEQGYCAAQOPIMJ-ZDUSSCGKSA-N 1 2 281.400 1.495 20 30 CDEDLO C[C@H](CCC#N)CNc1ccc(N(C)CCO)c[nH+]1 ZINC000602570423 344484825 /nfs/dbraw/zinc/48/48/25/344484825.db2.gz URBVIAABBLEFER-GFCCVEGCSA-N 1 2 262.357 1.284 20 30 CDEDLO C=CCOC[C@@H]([NH2+]CCC1CCOCC1)C(=O)OC ZINC000602642884 344513083 /nfs/dbraw/zinc/51/30/83/344513083.db2.gz BMWODPPUGKDZBM-CYBMUJFWSA-N 1 2 271.357 1.137 20 30 CDEDLO COCc1ccc(CNC(=O)C[NH2+][C@H](C)CC#N)cc1 ZINC000602860643 344616721 /nfs/dbraw/zinc/61/67/21/344616721.db2.gz DYVBWENPUCEWSP-GFCCVEGCSA-N 1 2 275.352 1.341 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)NCc1cccs1 ZINC000602861262 344616763 /nfs/dbraw/zinc/61/67/63/344616763.db2.gz FSIQVMATPUPFBM-ZJUUUORDSA-N 1 2 251.355 1.645 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N[C@H](C)c1cccs1 ZINC000602866266 344639122 /nfs/dbraw/zinc/63/91/22/344639122.db2.gz ZQFRWGSCQQSCFO-NXEZZACHSA-N 1 2 251.355 1.817 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000602867543 344639472 /nfs/dbraw/zinc/63/94/72/344639472.db2.gz DWKSOVOZRBEHBX-SNVBAGLBSA-N 1 2 277.372 1.548 20 30 CDEDLO CCCC[C@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1cc(C)on1 ZINC000602868248 344640211 /nfs/dbraw/zinc/64/02/11/344640211.db2.gz ILMJCBMJIFJANA-JQWIXIFHSA-N 1 2 278.356 1.794 20 30 CDEDLO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N)c1 ZINC000602869374 344640673 /nfs/dbraw/zinc/64/06/73/344640673.db2.gz NQMCYVPSYSREGF-WDEREUQCSA-N 1 2 288.351 1.864 20 30 CDEDLO COCC[N@H+](C)Cc1cn(CCCC(C)(C)C#N)nn1 ZINC000603258513 344754903 /nfs/dbraw/zinc/75/49/03/344754903.db2.gz CNAUZZQKWUNWEV-UHFFFAOYSA-N 1 2 279.388 1.686 20 30 CDEDLO COCC[N@@H+](C)Cc1cn(CCCC(C)(C)C#N)nn1 ZINC000603258513 344754906 /nfs/dbraw/zinc/75/49/06/344754906.db2.gz CNAUZZQKWUNWEV-UHFFFAOYSA-N 1 2 279.388 1.686 20 30 CDEDLO Cc1cc(N2CCC(c3nc(=N)n(C)[nH]3)CC2)c(C#N)c[nH+]1 ZINC000601190100 349923382 /nfs/dbraw/zinc/92/33/82/349923382.db2.gz QJDHTNNKPCQFIV-UHFFFAOYSA-N 1 2 297.366 1.187 20 30 CDEDLO C=C(Br)C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000052440871 345244127 /nfs/dbraw/zinc/24/41/27/345244127.db2.gz CCPICCQUBKKGOZ-VIFPVBQESA-N 1 2 261.163 1.448 20 30 CDEDLO C=C(Br)C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000052440871 345244129 /nfs/dbraw/zinc/24/41/29/345244129.db2.gz CCPICCQUBKKGOZ-VIFPVBQESA-N 1 2 261.163 1.448 20 30 CDEDLO C=CCCOCC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000608369039 345739222 /nfs/dbraw/zinc/73/92/22/345739222.db2.gz CBLUFCLCUFRPAH-UHFFFAOYSA-N 1 2 299.374 1.778 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623304066 346022855 /nfs/dbraw/zinc/02/28/55/346022855.db2.gz PWDZAXXIGSYNCW-VXGBXAGGSA-N 1 2 263.341 1.295 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1cn[nH]c1 ZINC000610487659 346292401 /nfs/dbraw/zinc/29/24/01/346292401.db2.gz QSAWVBGCLDZWQL-LBPRGKRZSA-N 1 2 289.383 1.573 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1cn[nH]c1 ZINC000610487659 346292404 /nfs/dbraw/zinc/29/24/04/346292404.db2.gz QSAWVBGCLDZWQL-LBPRGKRZSA-N 1 2 289.383 1.573 20 30 CDEDLO Cc1c[nH]c(C(C)(C)NC(=O)c2cc(C#N)ccn2)[nH+]1 ZINC000584785876 346438367 /nfs/dbraw/zinc/43/83/67/346438367.db2.gz RQSBHNUVAKYBMP-UHFFFAOYSA-N 1 2 269.308 1.650 20 30 CDEDLO N#Cc1nccc(NCc2ccccc2-n2cc[nH+]c2)n1 ZINC000584809252 346439152 /nfs/dbraw/zinc/43/91/52/346439152.db2.gz CUXDUCAFYKZCTF-UHFFFAOYSA-N 1 2 276.303 1.568 20 30 CDEDLO COCC[N@H+](CCC#N)Cc1ccc2c(c1)nnn2C ZINC000610864952 346471176 /nfs/dbraw/zinc/47/11/76/346471176.db2.gz VRUXJNMCRFOARD-UHFFFAOYSA-N 1 2 273.340 1.330 20 30 CDEDLO COCC[N@@H+](CCC#N)Cc1ccc2c(c1)nnn2C ZINC000610864952 346471179 /nfs/dbraw/zinc/47/11/79/346471179.db2.gz VRUXJNMCRFOARD-UHFFFAOYSA-N 1 2 273.340 1.330 20 30 CDEDLO CCOC[C@@H](C(=O)OC)[N@H+](C)Cc1cccc(C#N)c1 ZINC000610998761 346570842 /nfs/dbraw/zinc/57/08/42/346570842.db2.gz UVLNBKUKKPMJRX-AWEZNQCLSA-N 1 2 276.336 1.568 20 30 CDEDLO CCOC[C@@H](C(=O)OC)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000610998761 346570845 /nfs/dbraw/zinc/57/08/45/346570845.db2.gz UVLNBKUKKPMJRX-AWEZNQCLSA-N 1 2 276.336 1.568 20 30 CDEDLO N#Cc1ccc(NCc2ccn3cc[nH+]c3c2)nn1 ZINC000611241922 346709568 /nfs/dbraw/zinc/70/95/68/346709568.db2.gz ACJTXKJRICDFDW-UHFFFAOYSA-N 1 2 250.265 1.030 20 30 CDEDLO N#Cc1ccc(NCc2ccc(N3CCCCC3)[nH+]c2)nn1 ZINC000611239850 346710494 /nfs/dbraw/zinc/71/04/94/346710494.db2.gz HGGQDYKAYYJWRP-UHFFFAOYSA-N 1 2 294.362 1.768 20 30 CDEDLO COCC[N@H+](Cc1cnnn1C)Cc1ccc(C#N)cc1 ZINC000092567641 365843315 /nfs/dbraw/zinc/84/33/15/365843315.db2.gz ZXQIWDMUPHOIKH-UHFFFAOYSA-N 1 2 285.351 1.335 20 30 CDEDLO COCC[N@@H+](Cc1cnnn1C)Cc1ccc(C#N)cc1 ZINC000092567641 365843319 /nfs/dbraw/zinc/84/33/19/365843319.db2.gz ZXQIWDMUPHOIKH-UHFFFAOYSA-N 1 2 285.351 1.335 20 30 CDEDLO C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1ccc(C#N)c(F)c1 ZINC000611465983 346791142 /nfs/dbraw/zinc/79/11/42/346791142.db2.gz BLMXODJHZCWNTJ-SECBINFHSA-N 1 2 286.314 1.870 20 30 CDEDLO C[C@]1(C#N)CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000612365245 347132554 /nfs/dbraw/zinc/13/25/54/347132554.db2.gz UJISPKOGJNYEDQ-IUODEOHRSA-N 1 2 272.352 1.598 20 30 CDEDLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1cc(C#N)cs1 ZINC000092042490 347308033 /nfs/dbraw/zinc/30/80/33/347308033.db2.gz VYYOMPAUGYDXLI-GXSJLCMTSA-N 1 2 252.339 1.201 20 30 CDEDLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1cc(C#N)cs1 ZINC000092042490 347308035 /nfs/dbraw/zinc/30/80/35/347308035.db2.gz VYYOMPAUGYDXLI-GXSJLCMTSA-N 1 2 252.339 1.201 20 30 CDEDLO CC[N@H+](CC(=O)N(C)C)Cc1cc(C#N)ccc1OC ZINC000130427686 347413546 /nfs/dbraw/zinc/41/35/46/347413546.db2.gz HQGQDYJMQLDQGQ-UHFFFAOYSA-N 1 2 275.352 1.477 20 30 CDEDLO CC[N@@H+](CC(=O)N(C)C)Cc1cc(C#N)ccc1OC ZINC000130427686 347413548 /nfs/dbraw/zinc/41/35/48/347413548.db2.gz HQGQDYJMQLDQGQ-UHFFFAOYSA-N 1 2 275.352 1.477 20 30 CDEDLO C=C[C@@H]([NH2+][C@H]1CCc2cc(OC)ccc2C1)C(=O)OC ZINC000619703526 347954522 /nfs/dbraw/zinc/95/45/22/347954522.db2.gz MUVNLPGRCQNOGZ-DZGCQCFKSA-N 1 2 275.348 1.870 20 30 CDEDLO C=C[C@H](O)C(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000614522229 348134352 /nfs/dbraw/zinc/13/43/52/348134352.db2.gz FXOAZAKXTYGRDR-OLZOCXBDSA-N 1 2 280.755 1.360 20 30 CDEDLO C=C[C@H](C(=O)OC)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000619719686 348191459 /nfs/dbraw/zinc/19/14/59/348191459.db2.gz UPFWBBXKXGNKBV-XQQFMLRXSA-N 1 2 263.341 1.494 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(F)cc1F ZINC000414122326 362920721 /nfs/dbraw/zinc/92/07/21/362920721.db2.gz FXDIQMTWZGAXBY-LLVKDONJSA-N 1 2 270.279 1.550 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(F)cc1F ZINC000414122326 362920731 /nfs/dbraw/zinc/92/07/31/362920731.db2.gz FXDIQMTWZGAXBY-LLVKDONJSA-N 1 2 270.279 1.550 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc(F)c1F ZINC000414118741 362926208 /nfs/dbraw/zinc/92/62/08/362926208.db2.gz BRGGTGMACUHQDW-SNVBAGLBSA-N 1 2 270.279 1.550 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc(F)c1F ZINC000414118741 362926211 /nfs/dbraw/zinc/92/62/11/362926211.db2.gz BRGGTGMACUHQDW-SNVBAGLBSA-N 1 2 270.279 1.550 20 30 CDEDLO N#Cc1ncn(Cc2cn3cc(Cl)ccc3[nH+]2)n1 ZINC000014143896 348519498 /nfs/dbraw/zinc/51/94/98/348519498.db2.gz GJXLBRNGNZPPCS-UHFFFAOYSA-N 1 2 258.672 1.499 20 30 CDEDLO N#Cc1cccc(C[NH2+]Cc2nnc3n2CCC3)c1 ZINC000030652406 348679308 /nfs/dbraw/zinc/67/93/08/348679308.db2.gz CRWVHBIUYJMHGM-UHFFFAOYSA-N 1 2 253.309 1.386 20 30 CDEDLO C[C@H]1CCCCN1C(=O)CN1CC[NH+](CCCC#N)CC1 ZINC000045914778 348781357 /nfs/dbraw/zinc/78/13/57/348781357.db2.gz NTNHYDKHKNHYSS-HNNXBMFYSA-N 1 2 292.427 1.309 20 30 CDEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(CCCC#N)CC1 ZINC000045914778 348781361 /nfs/dbraw/zinc/78/13/61/348781361.db2.gz NTNHYDKHKNHYSS-HNNXBMFYSA-N 1 2 292.427 1.309 20 30 CDEDLO COCC[N@@H+](CCC#N)CCOc1ccccc1[N+](=O)[O-] ZINC000072688864 348902344 /nfs/dbraw/zinc/90/23/44/348902344.db2.gz IYTGDBPICSKQHF-UHFFFAOYSA-N 1 2 293.323 1.836 20 30 CDEDLO COCC[N@H+](CCC#N)CCOc1ccccc1[N+](=O)[O-] ZINC000072688864 348902347 /nfs/dbraw/zinc/90/23/47/348902347.db2.gz IYTGDBPICSKQHF-UHFFFAOYSA-N 1 2 293.323 1.836 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)CCC(=O)c2ccccc2)CC1 ZINC000068445640 349066821 /nfs/dbraw/zinc/06/68/21/349066821.db2.gz IAVHHFXHUMFFNF-UHFFFAOYSA-N 1 2 298.386 1.817 20 30 CDEDLO CC[C@@H](C#N)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000263858874 362946476 /nfs/dbraw/zinc/94/64/76/362946476.db2.gz XDQSAOHGLUQNHY-AWEZNQCLSA-N 1 2 268.320 1.963 20 30 CDEDLO CC[N@H+](Cc1cccc(C#N)n1)[C@@H](C)CS(=O)(=O)CC ZINC000602468222 350111273 /nfs/dbraw/zinc/11/12/73/350111273.db2.gz KMZJLEMFOKREFC-LBPRGKRZSA-N 1 2 295.408 1.598 20 30 CDEDLO CC[N@@H+](Cc1cccc(C#N)n1)[C@@H](C)CS(=O)(=O)CC ZINC000602468222 350111278 /nfs/dbraw/zinc/11/12/78/350111278.db2.gz KMZJLEMFOKREFC-LBPRGKRZSA-N 1 2 295.408 1.598 20 30 CDEDLO CCc1nn(C)c(OC)c1C[NH2+]Cc1cccc(C#N)n1 ZINC000602582067 350129197 /nfs/dbraw/zinc/12/91/97/350129197.db2.gz NKJYTFWMBHAKHQ-UHFFFAOYSA-N 1 2 285.351 1.548 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2cccc(C#N)n2)C[C@H](C)O1 ZINC000602627842 350133449 /nfs/dbraw/zinc/13/34/49/350133449.db2.gz UXPSUIUYJYNMGY-SMDDNHRTSA-N 1 2 261.325 1.189 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2cccc(C#N)n2)C[C@H](C)O1 ZINC000602627842 350133451 /nfs/dbraw/zinc/13/34/51/350133451.db2.gz UXPSUIUYJYNMGY-SMDDNHRTSA-N 1 2 261.325 1.189 20 30 CDEDLO CCc1nnc(C[NH2+]Cc2cccc(C#N)n2)s1 ZINC000602665904 350139836 /nfs/dbraw/zinc/13/98/36/350139836.db2.gz DRYQPBXHYRUASX-UHFFFAOYSA-N 1 2 259.338 1.657 20 30 CDEDLO COCC[C@@H]1COCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602677696 350140675 /nfs/dbraw/zinc/14/06/75/350140675.db2.gz RVSRXKUKPUVAFL-CQSZACIVSA-N 1 2 261.325 1.191 20 30 CDEDLO COCC[C@@H]1COCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602677696 350140677 /nfs/dbraw/zinc/14/06/77/350140677.db2.gz RVSRXKUKPUVAFL-CQSZACIVSA-N 1 2 261.325 1.191 20 30 CDEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2cnc[nH]2)CC1 ZINC000091792403 180257159 /nfs/dbraw/zinc/25/71/59/180257159.db2.gz AZPCIVSDQQJKPA-UHFFFAOYSA-N 1 2 281.363 1.994 20 30 CDEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2cnc[nH]2)CC1 ZINC000091792403 180257161 /nfs/dbraw/zinc/25/71/61/180257161.db2.gz AZPCIVSDQQJKPA-UHFFFAOYSA-N 1 2 281.363 1.994 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNc2ccc(Cl)c(C#N)n2)C1 ZINC000109129215 186244145 /nfs/dbraw/zinc/24/41/45/186244145.db2.gz JAPIYLFYBNMNJG-VIFPVBQESA-N 1 2 266.732 1.349 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNc2ccc(Cl)c(C#N)n2)C1 ZINC000109129215 186244147 /nfs/dbraw/zinc/24/41/47/186244147.db2.gz JAPIYLFYBNMNJG-VIFPVBQESA-N 1 2 266.732 1.349 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNc2ncc(C#N)cc2Cl)C1 ZINC000108945652 186237256 /nfs/dbraw/zinc/23/72/56/186237256.db2.gz DSLUYYZAFQHOOB-JTQLQIEISA-N 1 2 266.732 1.349 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNc2ncc(C#N)cc2Cl)C1 ZINC000108945652 186237257 /nfs/dbraw/zinc/23/72/57/186237257.db2.gz DSLUYYZAFQHOOB-JTQLQIEISA-N 1 2 266.732 1.349 20 30 CDEDLO CC(C)CCSCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000573924967 334975769 /nfs/dbraw/zinc/97/57/69/334975769.db2.gz LMLUZTIVJZKFRH-CYBMUJFWSA-N 1 2 271.430 1.726 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+](C)Cc1nc(CCOC)no1 ZINC000152481343 188022199 /nfs/dbraw/zinc/02/21/99/188022199.db2.gz SVYRHLLJXDGWFN-LLVKDONJSA-N 1 2 269.345 1.017 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+](C)Cc1nc(CCOC)no1 ZINC000152481343 188022201 /nfs/dbraw/zinc/02/22/01/188022201.db2.gz SVYRHLLJXDGWFN-LLVKDONJSA-N 1 2 269.345 1.017 20 30 CDEDLO C#CCN(C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000292479578 198304100 /nfs/dbraw/zinc/30/41/00/198304100.db2.gz QABPROGSVFCIOE-UHFFFAOYSA-N 1 2 282.347 1.706 20 30 CDEDLO CCC[N@@H+](CC(=O)OCC)C[C@H](O)c1ccc(C#N)cc1 ZINC000155765405 188225780 /nfs/dbraw/zinc/22/57/80/188225780.db2.gz KBVTUKRIKAZBIA-HNNXBMFYSA-N 1 2 290.363 1.867 20 30 CDEDLO CCC[N@H+](CC(=O)OCC)C[C@H](O)c1ccc(C#N)cc1 ZINC000155765405 188225781 /nfs/dbraw/zinc/22/57/81/188225781.db2.gz KBVTUKRIKAZBIA-HNNXBMFYSA-N 1 2 290.363 1.867 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000488160918 366094585 /nfs/dbraw/zinc/09/45/85/366094585.db2.gz KKYPFOINVBCZPE-ZDUSSCGKSA-N 1 2 266.385 1.686 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000488160918 366094589 /nfs/dbraw/zinc/09/45/89/366094589.db2.gz KKYPFOINVBCZPE-ZDUSSCGKSA-N 1 2 266.385 1.686 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1ccccc1C#N ZINC000047975410 355938829 /nfs/dbraw/zinc/93/88/29/355938829.db2.gz HADOWYLGMQUOLA-LLVKDONJSA-N 1 2 290.348 1.122 20 30 CDEDLO Cc1cc(N2CCC[C@H](n3ccnn3)C2)c(C#N)c[nH+]1 ZINC000333477519 357341879 /nfs/dbraw/zinc/34/18/79/357341879.db2.gz OVPBRRQUOAYHHG-ZDUSSCGKSA-N 1 2 268.324 1.695 20 30 CDEDLO CNC(=O)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000334336136 357568735 /nfs/dbraw/zinc/56/87/35/357568735.db2.gz RSGSMPZEHQNIJO-UHFFFAOYSA-N 1 2 264.354 1.077 20 30 CDEDLO N#Cc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)cc1F ZINC000334424898 357579619 /nfs/dbraw/zinc/57/96/19/357579619.db2.gz UBXGWUUTHYSTJS-RYUDHWBXSA-N 1 2 252.264 1.602 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)cc1F ZINC000334424898 357579621 /nfs/dbraw/zinc/57/96/21/357579621.db2.gz UBXGWUUTHYSTJS-RYUDHWBXSA-N 1 2 252.264 1.602 20 30 CDEDLO Cn1cc(C[N@@H+]2CCO[C@H](C3CCC3)C2)cc1C#N ZINC000334861091 357643173 /nfs/dbraw/zinc/64/31/73/357643173.db2.gz BMYSHBJJWXYYDU-HNNXBMFYSA-N 1 2 259.353 1.898 20 30 CDEDLO Cn1cc(C[N@H+]2CCO[C@H](C3CCC3)C2)cc1C#N ZINC000334861091 357643179 /nfs/dbraw/zinc/64/31/79/357643179.db2.gz BMYSHBJJWXYYDU-HNNXBMFYSA-N 1 2 259.353 1.898 20 30 CDEDLO N#CCCN(Cc1ccccn1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493544856 366452833 /nfs/dbraw/zinc/45/28/33/366452833.db2.gz HZNCGRQSELQSEM-AATRIKPKSA-N 1 2 281.319 1.760 20 30 CDEDLO N#Cc1ccc(OCC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000290915499 358773795 /nfs/dbraw/zinc/77/37/95/358773795.db2.gz JOSADAHIQIJIGR-UHFFFAOYSA-N 1 2 282.303 1.176 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000338114695 358873771 /nfs/dbraw/zinc/87/37/71/358873771.db2.gz AKBTYEBNIBNQHL-LBPRGKRZSA-N 1 2 287.363 1.317 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000338114695 358873775 /nfs/dbraw/zinc/87/37/75/358873775.db2.gz AKBTYEBNIBNQHL-LBPRGKRZSA-N 1 2 287.363 1.317 20 30 CDEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CC2(C#N)CC2)C1 ZINC000494337015 366503707 /nfs/dbraw/zinc/50/37/07/366503707.db2.gz XNOYMTQHNFHYAD-LLVKDONJSA-N 1 2 265.357 1.889 20 30 CDEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CC2(C#N)CC2)C1 ZINC000494337015 366503711 /nfs/dbraw/zinc/50/37/11/366503711.db2.gz XNOYMTQHNFHYAD-LLVKDONJSA-N 1 2 265.357 1.889 20 30 CDEDLO CN1C[C@@H](C[N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)OC1=O ZINC000495592801 366530091 /nfs/dbraw/zinc/53/00/91/366530091.db2.gz JHAUAUUEQRHUJS-ILXRZTDVSA-N 1 2 285.347 1.676 20 30 CDEDLO CN1C[C@@H](C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)OC1=O ZINC000495592801 366530095 /nfs/dbraw/zinc/53/00/95/366530095.db2.gz JHAUAUUEQRHUJS-ILXRZTDVSA-N 1 2 285.347 1.676 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000335199552 359036245 /nfs/dbraw/zinc/03/62/45/359036245.db2.gz CXYIOQVQOCVLTQ-KBPBESRZSA-N 1 2 265.401 1.189 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)OC ZINC000266015024 359339494 /nfs/dbraw/zinc/33/94/94/359339494.db2.gz ULSGNAGCRVWCCQ-GFCCVEGCSA-N 1 2 261.321 1.692 20 30 CDEDLO C#CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)OC ZINC000266015024 359339496 /nfs/dbraw/zinc/33/94/96/359339496.db2.gz ULSGNAGCRVWCCQ-GFCCVEGCSA-N 1 2 261.321 1.692 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000266956382 359345777 /nfs/dbraw/zinc/34/57/77/359345777.db2.gz VRDLLXZVPCDABT-UHFFFAOYSA-N 1 2 261.281 1.488 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000266956382 359345782 /nfs/dbraw/zinc/34/57/82/359345782.db2.gz VRDLLXZVPCDABT-UHFFFAOYSA-N 1 2 261.281 1.488 20 30 CDEDLO Cc1nc(C#N)c(C#N)n1Cc1cn2c(cccc2C)[nH+]1 ZINC000155292259 237057374 /nfs/dbraw/zinc/05/73/74/237057374.db2.gz NYHRYARQLKZWBK-UHFFFAOYSA-N 1 2 276.303 1.939 20 30 CDEDLO Cc1noc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)n1 ZINC000348069359 359772226 /nfs/dbraw/zinc/77/22/26/359772226.db2.gz BYMOZMDLTBBUDH-ZANVPECISA-N 1 2 279.344 1.083 20 30 CDEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000408428820 359769037 /nfs/dbraw/zinc/76/90/37/359769037.db2.gz VTQUGGXSXZAOAH-QWRGUYRKSA-N 1 2 273.336 1.428 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000335312687 359802175 /nfs/dbraw/zinc/80/21/75/359802175.db2.gz BFKJMUUUYMVJNY-ABAIWWIYSA-N 1 2 253.305 1.518 20 30 CDEDLO C=CC[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000335312687 359802177 /nfs/dbraw/zinc/80/21/77/359802177.db2.gz BFKJMUUUYMVJNY-ABAIWWIYSA-N 1 2 253.305 1.518 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C)no1 ZINC000348092820 359827774 /nfs/dbraw/zinc/82/77/74/359827774.db2.gz BIAHFOSPHJEBTJ-QWRGUYRKSA-N 1 2 278.356 1.618 20 30 CDEDLO N#C[C@@H]1COCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000081739494 359885144 /nfs/dbraw/zinc/88/51/44/359885144.db2.gz INLUHLHOBSSOIV-CQSZACIVSA-N 1 2 282.303 1.237 20 30 CDEDLO N#CC1(CCC[N@@H+]2CCc3n[nH]nc3C2)CCOCC1 ZINC000337204074 360024860 /nfs/dbraw/zinc/02/48/60/360024860.db2.gz IKVICYBPRMBTJA-UHFFFAOYSA-N 1 2 275.356 1.263 20 30 CDEDLO N#CC1(CCC[N@H+]2CCc3n[nH]nc3C2)CCOCC1 ZINC000337204074 360024863 /nfs/dbraw/zinc/02/48/63/360024863.db2.gz IKVICYBPRMBTJA-UHFFFAOYSA-N 1 2 275.356 1.263 20 30 CDEDLO CCOCCCNC(=O)[C@H](C)[N@H+](CC)CCC#N ZINC000348554271 360396405 /nfs/dbraw/zinc/39/64/05/360396405.db2.gz QQTHWDFMYJTUAK-LBPRGKRZSA-N 1 2 255.362 1.153 20 30 CDEDLO CCOCCCNC(=O)[C@H](C)[N@@H+](CC)CCC#N ZINC000348554271 360396407 /nfs/dbraw/zinc/39/64/07/360396407.db2.gz QQTHWDFMYJTUAK-LBPRGKRZSA-N 1 2 255.362 1.153 20 30 CDEDLO CCOC(=O)C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C(C)C ZINC000178313938 189106268 /nfs/dbraw/zinc/10/62/68/189106268.db2.gz SJSPQXLAUNXDOD-OAHLLOKOSA-N 1 2 290.363 1.865 20 30 CDEDLO CCOC(=O)C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C(C)C ZINC000178313938 189106269 /nfs/dbraw/zinc/10/62/69/189106269.db2.gz SJSPQXLAUNXDOD-OAHLLOKOSA-N 1 2 290.363 1.865 20 30 CDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425857468 360634071 /nfs/dbraw/zinc/63/40/71/360634071.db2.gz GPXKEFYHHMIYTD-QWHCGFSZSA-N 1 2 294.399 1.089 20 30 CDEDLO C=CCOc1ccc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)cc1 ZINC000428452446 360710298 /nfs/dbraw/zinc/71/02/98/360710298.db2.gz BLPAYTRGKSIRCS-CYBMUJFWSA-N 1 2 274.364 1.914 20 30 CDEDLO C=CCOc1ccc(C[N@H+]2CCN(C)C(=O)[C@H]2C)cc1 ZINC000428452446 360710303 /nfs/dbraw/zinc/71/03/03/360710303.db2.gz BLPAYTRGKSIRCS-CYBMUJFWSA-N 1 2 274.364 1.914 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000245986441 360769108 /nfs/dbraw/zinc/76/91/08/360769108.db2.gz HIZWIWBHHMJZCC-GHMZBOCLSA-N 1 2 294.317 1.431 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000245986441 360769114 /nfs/dbraw/zinc/76/91/14/360769114.db2.gz HIZWIWBHHMJZCC-GHMZBOCLSA-N 1 2 294.317 1.431 20 30 CDEDLO C=CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000104725072 360878199 /nfs/dbraw/zinc/87/81/99/360878199.db2.gz SVCTXQGNQYPYLY-ZDUSSCGKSA-N 1 2 298.383 1.754 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000104725072 360878203 /nfs/dbraw/zinc/87/82/03/360878203.db2.gz SVCTXQGNQYPYLY-ZDUSSCGKSA-N 1 2 298.383 1.754 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1OC ZINC000179658794 189210939 /nfs/dbraw/zinc/21/09/39/189210939.db2.gz WSXJGDNHNSYCPO-ZDUSSCGKSA-N 1 2 274.320 1.704 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1OC ZINC000179658794 189210940 /nfs/dbraw/zinc/21/09/40/189210940.db2.gz WSXJGDNHNSYCPO-ZDUSSCGKSA-N 1 2 274.320 1.704 20 30 CDEDLO C[NH+]1CCN(C(=O)CSc2ccc(C#N)cc2)CC1 ZINC000335858792 360988794 /nfs/dbraw/zinc/98/87/94/360988794.db2.gz MSRWVSAFOOTYEA-UHFFFAOYSA-N 1 2 275.377 1.424 20 30 CDEDLO C=CCCCC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000433107117 361210559 /nfs/dbraw/zinc/21/05/59/361210559.db2.gz VESOMPFJZFHCJY-ZDUSSCGKSA-N 1 2 276.384 1.971 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433312248 361231082 /nfs/dbraw/zinc/23/10/82/361231082.db2.gz LBPVKRGKEVBFKK-IUODEOHRSA-N 1 2 278.400 1.911 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433312248 361231084 /nfs/dbraw/zinc/23/10/84/361231084.db2.gz LBPVKRGKEVBFKK-IUODEOHRSA-N 1 2 278.400 1.911 20 30 CDEDLO C=CCN(CCOC)C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000357176949 366810115 /nfs/dbraw/zinc/81/01/15/366810115.db2.gz LUJOTDVACIIYQC-OAHLLOKOSA-N 1 2 296.411 1.148 20 30 CDEDLO C=CCN(CCOC)C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000357176949 366810121 /nfs/dbraw/zinc/81/01/21/366810121.db2.gz LUJOTDVACIIYQC-OAHLLOKOSA-N 1 2 296.411 1.148 20 30 CDEDLO C[C@]1(CNC(=O)C2([NH+]3CCOCC3)CCC2)CCOC1 ZINC000329343788 361484413 /nfs/dbraw/zinc/48/44/13/361484413.db2.gz TZIPSPMAKOUZOV-CQSZACIVSA-N 1 2 282.384 1.624 20 30 CDEDLO CCN1CCOC[C@@H]1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000329400887 361500672 /nfs/dbraw/zinc/50/06/72/361500672.db2.gz VYOWHQRGRGYNFN-QWHCGFSZSA-N 1 2 292.383 1.438 20 30 CDEDLO CCN1CCOC[C@@H]1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329409318 361502666 /nfs/dbraw/zinc/50/26/66/361502666.db2.gz XSHKGNXELWWDME-CYBMUJFWSA-N 1 2 292.383 1.397 20 30 CDEDLO C=CCOC[C@@H]([NH2+]CC1Cc2ccccc2C1)C(=O)OC ZINC000570891473 364081325 /nfs/dbraw/zinc/08/13/25/364081325.db2.gz MBICQWMOPPCNKU-MRXNPFEDSA-N 1 2 289.375 1.735 20 30 CDEDLO COc1cc(C#N)ccc1CN1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000121269587 364027425 /nfs/dbraw/zinc/02/74/25/364027425.db2.gz MUWPNKDPGLNDCZ-HOCLYGCPSA-N 1 2 287.363 1.082 20 30 CDEDLO COc1cc(C#N)ccc1CN1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000121269587 364027429 /nfs/dbraw/zinc/02/74/29/364027429.db2.gz MUWPNKDPGLNDCZ-HOCLYGCPSA-N 1 2 287.363 1.082 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCOc2ccccc2F)nn1 ZINC000640790572 364640394 /nfs/dbraw/zinc/64/03/94/364640394.db2.gz YBTNGUFWQOXLIO-UHFFFAOYSA-N 1 2 288.326 1.609 20 30 CDEDLO C[C@H](NC(=O)NCc1[nH+]ccn1C)c1ccc(C#N)cc1 ZINC000264224565 364649023 /nfs/dbraw/zinc/64/90/23/364649023.db2.gz WOMOXBSPDITDOW-NSHDSACASA-N 1 2 283.335 1.852 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2ccccn2)nn1 ZINC000640995333 364805856 /nfs/dbraw/zinc/80/58/56/364805856.db2.gz LNYRLUXCDADRKV-GFCCVEGCSA-N 1 2 255.325 1.395 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1CC(=O)NCCCC1CCCCC1 ZINC001580044498 1172331446 /nfs/dbraw/zinc/33/14/46/1172331446.db2.gz CJIYAHCQSKWMII-OAHLLOKOSA-N 1 2 292.427 1.260 20 30 CDEDLO CCOc1cccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000566714062 370796945 /nfs/dbraw/zinc/79/69/45/370796945.db2.gz ZKQFPTPOTXRXPQ-OAHLLOKOSA-N 1 2 275.352 1.659 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N(C)Cc1[nH+]ccn1C ZINC000275490056 193056429 /nfs/dbraw/zinc/05/64/29/193056429.db2.gz QWULJESIRPMMTI-CQSZACIVSA-N 1 2 265.357 1.607 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000157664017 260854244 /nfs/dbraw/zinc/85/42/44/260854244.db2.gz CPQYHOLTPZFNFI-RYUDHWBXSA-N 1 2 282.388 1.338 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000157664017 260854245 /nfs/dbraw/zinc/85/42/45/260854245.db2.gz CPQYHOLTPZFNFI-RYUDHWBXSA-N 1 2 282.388 1.338 20 30 CDEDLO Cc1noc(C23CC(C2)C[N@@H+]3[C@H]2CC[C@@H](C#N)C2)n1 ZINC000528625803 367925061 /nfs/dbraw/zinc/92/50/61/367925061.db2.gz YVOHXIQXBHECMW-JJMZSNKZSA-N 1 2 258.325 1.991 20 30 CDEDLO Cc1noc(C23CC(C2)C[N@H+]3[C@H]2CC[C@@H](C#N)C2)n1 ZINC000528625803 367925062 /nfs/dbraw/zinc/92/50/62/367925062.db2.gz YVOHXIQXBHECMW-JJMZSNKZSA-N 1 2 258.325 1.991 20 30 CDEDLO CC#CCCNC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000361350993 368767121 /nfs/dbraw/zinc/76/71/21/368767121.db2.gz JJYGHJIEQZQPFD-UHFFFAOYSA-N 1 2 270.336 1.855 20 30 CDEDLO CC#CCCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000361530769 368877920 /nfs/dbraw/zinc/87/79/20/368877920.db2.gz LHRQHPPVAQRDHJ-CYBMUJFWSA-N 1 2 272.352 1.373 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1cccnc1 ZINC000155797915 261107845 /nfs/dbraw/zinc/10/78/45/261107845.db2.gz HYAGDUOVXAEAJT-GFCCVEGCSA-N 1 2 260.341 1.274 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1cccnc1 ZINC000155797915 261107848 /nfs/dbraw/zinc/10/78/48/261107848.db2.gz HYAGDUOVXAEAJT-GFCCVEGCSA-N 1 2 260.341 1.274 20 30 CDEDLO CC[N@@H+](Cc1ccc(C#N)cn1)C[C@@H](O)C(F)(F)F ZINC000577505960 317345009 /nfs/dbraw/zinc/34/50/09/317345009.db2.gz QXFWRJRZYMJRNM-LLVKDONJSA-N 1 2 273.258 1.698 20 30 CDEDLO CC[N@H+](Cc1ccc(C#N)cn1)C[C@@H](O)C(F)(F)F ZINC000577505960 317345015 /nfs/dbraw/zinc/34/50/15/317345015.db2.gz QXFWRJRZYMJRNM-LLVKDONJSA-N 1 2 273.258 1.698 20 30 CDEDLO C[C@H](C#N)n1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000369137262 369694921 /nfs/dbraw/zinc/69/49/21/369694921.db2.gz LUOLWOXGXYKZPE-TZMCWYRMSA-N 1 2 298.350 1.331 20 30 CDEDLO C[C@H](C#N)n1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000369137262 369694924 /nfs/dbraw/zinc/69/49/24/369694924.db2.gz LUOLWOXGXYKZPE-TZMCWYRMSA-N 1 2 298.350 1.331 20 30 CDEDLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000347243032 370129875 /nfs/dbraw/zinc/12/98/75/370129875.db2.gz TVYDIULLMYOAEH-UHFFFAOYSA-N 1 2 276.336 1.950 20 30 CDEDLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000347243032 370129883 /nfs/dbraw/zinc/12/98/83/370129883.db2.gz TVYDIULLMYOAEH-UHFFFAOYSA-N 1 2 276.336 1.950 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC000373040866 370547861 /nfs/dbraw/zinc/54/78/61/370547861.db2.gz DOVOIJRKYVZYFW-LLVKDONJSA-N 1 2 278.381 1.383 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000331710398 204096572 /nfs/dbraw/zinc/09/65/72/204096572.db2.gz CQNLQBXGZRYBKW-CZUORRHYSA-N 1 2 297.362 1.612 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000331710398 204096574 /nfs/dbraw/zinc/09/65/74/204096574.db2.gz CQNLQBXGZRYBKW-CZUORRHYSA-N 1 2 297.362 1.612 20 30 CDEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000331713362 204097292 /nfs/dbraw/zinc/09/72/92/204097292.db2.gz GMMASDRAORJQDU-CJNGLKHVSA-N 1 2 297.362 1.612 20 30 CDEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000331713362 204097294 /nfs/dbraw/zinc/09/72/94/204097294.db2.gz GMMASDRAORJQDU-CJNGLKHVSA-N 1 2 297.362 1.612 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352661398 284294288 /nfs/dbraw/zinc/29/42/88/284294288.db2.gz SPZRDBGPAXKNPO-KKUMJFAQSA-N 1 2 288.347 1.618 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000352661398 284294292 /nfs/dbraw/zinc/29/42/92/284294292.db2.gz SPZRDBGPAXKNPO-KKUMJFAQSA-N 1 2 288.347 1.618 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CCCC[C@@H]2CO)c(C#N)c1C ZINC000050104280 372338541 /nfs/dbraw/zinc/33/85/41/372338541.db2.gz MKIMHQVPJHYOSH-GFCCVEGCSA-N 1 2 291.351 1.553 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CCCC[C@@H]2CO)c(C#N)c1C ZINC000050104280 372338547 /nfs/dbraw/zinc/33/85/47/372338547.db2.gz MKIMHQVPJHYOSH-GFCCVEGCSA-N 1 2 291.351 1.553 20 30 CDEDLO C#CCOc1ccc(F)cc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000173254401 372462825 /nfs/dbraw/zinc/46/28/25/372462825.db2.gz QIFQWKQGYZHAPV-AWEZNQCLSA-N 1 2 292.310 1.107 20 30 CDEDLO C#CCOc1ccc(F)cc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000173254401 372462833 /nfs/dbraw/zinc/46/28/33/372462833.db2.gz QIFQWKQGYZHAPV-AWEZNQCLSA-N 1 2 292.310 1.107 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCSC[C@H]1C(=O)OCC ZINC000579182310 372554274 /nfs/dbraw/zinc/55/42/74/372554274.db2.gz MULFKNLGSBXSNE-RYUDHWBXSA-N 1 2 273.398 1.294 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCSC[C@H]1C(=O)OCC ZINC000579182310 372554283 /nfs/dbraw/zinc/55/42/83/372554283.db2.gz MULFKNLGSBXSNE-RYUDHWBXSA-N 1 2 273.398 1.294 20 30 CDEDLO C#CC[N@@H+](C[C@@H]1CCC(C)(C)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000491040987 261307076 /nfs/dbraw/zinc/30/70/76/261307076.db2.gz WUELQWLLFQUVLC-OLZOCXBDSA-N 1 2 285.409 1.066 20 30 CDEDLO C#CC[N@H+](C[C@@H]1CCC(C)(C)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000491040987 261307079 /nfs/dbraw/zinc/30/70/79/261307079.db2.gz WUELQWLLFQUVLC-OLZOCXBDSA-N 1 2 285.409 1.066 20 30 CDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC1(C#N)CCC1 ZINC000579674122 372633506 /nfs/dbraw/zinc/63/35/06/372633506.db2.gz GYGLTRLKOCUTLG-ZDUSSCGKSA-N 1 2 296.378 1.553 20 30 CDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CC1(C#N)CCC1 ZINC000579674122 372633516 /nfs/dbraw/zinc/63/35/16/372633516.db2.gz GYGLTRLKOCUTLG-ZDUSSCGKSA-N 1 2 296.378 1.553 20 30 CDEDLO Cn1cc(CNc2ccc(N3CCOCC3)c[nH+]2)cc1C#N ZINC000191522361 373512805 /nfs/dbraw/zinc/51/28/05/373512805.db2.gz WLTDKAXDNSUYGJ-UHFFFAOYSA-N 1 2 297.362 1.740 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCN(CCC#N)Cc1ccco1 ZINC000191525615 373512842 /nfs/dbraw/zinc/51/28/42/373512842.db2.gz WDUDNWMOKKMBPZ-AWEZNQCLSA-N 1 2 277.368 1.716 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCN(CCC#N)Cc1ccco1 ZINC000191525615 373512846 /nfs/dbraw/zinc/51/28/46/373512846.db2.gz WDUDNWMOKKMBPZ-AWEZNQCLSA-N 1 2 277.368 1.716 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1cn(C)nc1C(=O)OCC ZINC000191756544 373532350 /nfs/dbraw/zinc/53/23/50/373532350.db2.gz YYRXTACGRTWAGP-UHFFFAOYSA-N 1 2 281.356 1.231 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1cn(C)nc1C(=O)OCC ZINC000191756544 373532360 /nfs/dbraw/zinc/53/23/60/373532360.db2.gz YYRXTACGRTWAGP-UHFFFAOYSA-N 1 2 281.356 1.231 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000341492660 373707398 /nfs/dbraw/zinc/70/73/98/373707398.db2.gz MCTXUDJSRSKADG-KGLIPLIRSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000341492660 373707409 /nfs/dbraw/zinc/70/74/09/373707409.db2.gz MCTXUDJSRSKADG-KGLIPLIRSA-N 1 2 283.416 1.751 20 30 CDEDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000355799214 373829498 /nfs/dbraw/zinc/82/94/98/373829498.db2.gz XYNXVONWXGHZON-UHFFFAOYSA-N 1 2 285.307 1.832 20 30 CDEDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000355799214 373829505 /nfs/dbraw/zinc/82/95/05/373829505.db2.gz XYNXVONWXGHZON-UHFFFAOYSA-N 1 2 285.307 1.832 20 30 CDEDLO CCn1cnnc1C[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000230642274 374051825 /nfs/dbraw/zinc/05/18/25/374051825.db2.gz PMZDUOIDWFOZAU-UHFFFAOYSA-N 1 2 271.324 1.468 20 30 CDEDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000369785931 374365704 /nfs/dbraw/zinc/36/57/04/374365704.db2.gz CCINZJOKNTYRJG-ZUOKHONESA-N 1 2 292.404 1.780 20 30 CDEDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000369785931 374365713 /nfs/dbraw/zinc/36/57/13/374365713.db2.gz CCINZJOKNTYRJG-ZUOKHONESA-N 1 2 292.404 1.780 20 30 CDEDLO CN(CC[NH+]1CCOCC1)c1cc(C#N)ccc1[N+](=O)[O-] ZINC000274268399 374503949 /nfs/dbraw/zinc/50/39/49/374503949.db2.gz QEIXINYLWPKNSR-UHFFFAOYSA-N 1 2 290.323 1.235 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000334167425 374499197 /nfs/dbraw/zinc/49/91/97/374499197.db2.gz APFNUBLKUQHZQX-GXFFZTMASA-N 1 2 261.300 1.458 20 30 CDEDLO CC[C@H](O)C[NH+]1CCN(C(=O)c2sccc2C#N)CC1 ZINC000070006464 374636859 /nfs/dbraw/zinc/63/68/59/374636859.db2.gz JSLLBMCJYFRNDX-LBPRGKRZSA-N 1 2 293.392 1.148 20 30 CDEDLO COc1ccnc(C[NH2+]Cc2ccc(C#N)c(OC)c2)n1 ZINC000424191714 246379234 /nfs/dbraw/zinc/37/92/34/246379234.db2.gz QTLHKUWWLRMLPE-UHFFFAOYSA-N 1 2 284.319 1.655 20 30 CDEDLO CCc1nnc([C@H](C)[NH2+]Cc2cc(C#N)n(C)c2)[nH]1 ZINC000276668460 374741119 /nfs/dbraw/zinc/74/11/19/374741119.db2.gz YCSAQZPDOCWEGQ-VIFPVBQESA-N 1 2 258.329 1.428 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@H](C)[S@](=O)CC2)cc1C#N ZINC000277159838 374773793 /nfs/dbraw/zinc/77/37/93/374773793.db2.gz KCXILCHZFGWNBB-FKIZINRSSA-N 1 2 292.404 1.910 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@H](C)[S@](=O)CC2)cc1C#N ZINC000277159838 374773800 /nfs/dbraw/zinc/77/38/00/374773800.db2.gz KCXILCHZFGWNBB-FKIZINRSSA-N 1 2 292.404 1.910 20 30 CDEDLO C[C@@H]1CC[N@H+](CCOc2ccccc2C#N)CC[S@@]1=O ZINC000277223779 374777719 /nfs/dbraw/zinc/77/77/19/374777719.db2.gz ODVLIFXTJSANRK-XCLFUZPHSA-N 1 2 292.404 1.780 20 30 CDEDLO C[C@@H]1CC[N@@H+](CCOc2ccccc2C#N)CC[S@@]1=O ZINC000277223779 374777727 /nfs/dbraw/zinc/77/77/27/374777727.db2.gz ODVLIFXTJSANRK-XCLFUZPHSA-N 1 2 292.404 1.780 20 30 CDEDLO C[C@H]1C[N@H+](CCOc2cccc(C#N)c2)CC[S@@](=O)C1 ZINC000277435565 374787894 /nfs/dbraw/zinc/78/78/94/374787894.db2.gz KYDOOCOHTBOWDS-RNODOKPDSA-N 1 2 292.404 1.637 20 30 CDEDLO C[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)CC[S@@](=O)C1 ZINC000277435565 374787902 /nfs/dbraw/zinc/78/79/02/374787902.db2.gz KYDOOCOHTBOWDS-RNODOKPDSA-N 1 2 292.404 1.637 20 30 CDEDLO C#CCOCCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000125277909 374913670 /nfs/dbraw/zinc/91/36/70/374913670.db2.gz PHJJKOGCIOVTFH-GFCCVEGCSA-N 1 2 261.325 1.503 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000282210150 375072041 /nfs/dbraw/zinc/07/20/41/375072041.db2.gz OIGXBIAMYVMOPO-SMDDNHRTSA-N 1 2 278.377 1.738 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000282210150 375072043 /nfs/dbraw/zinc/07/20/43/375072043.db2.gz OIGXBIAMYVMOPO-SMDDNHRTSA-N 1 2 278.377 1.738 20 30 CDEDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000282448370 375086593 /nfs/dbraw/zinc/08/65/93/375086593.db2.gz UYOUPPJESDRFPJ-SNVBAGLBSA-N 1 2 262.309 1.560 20 30 CDEDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000282448370 375086599 /nfs/dbraw/zinc/08/65/99/375086599.db2.gz UYOUPPJESDRFPJ-SNVBAGLBSA-N 1 2 262.309 1.560 20 30 CDEDLO C[N@H+](CCOCCO)Cc1cc(F)ccc1C#N ZINC000282639196 375097402 /nfs/dbraw/zinc/09/74/02/375097402.db2.gz ZETBBIJFNHGOSJ-UHFFFAOYSA-N 1 2 252.289 1.138 20 30 CDEDLO C[N@@H+](CCOCCO)Cc1cc(F)ccc1C#N ZINC000282639196 375097407 /nfs/dbraw/zinc/09/74/07/375097407.db2.gz ZETBBIJFNHGOSJ-UHFFFAOYSA-N 1 2 252.289 1.138 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000048433447 375311560 /nfs/dbraw/zinc/31/15/60/375311560.db2.gz ZYQJRRKNUFCCKK-HIFRSBDPSA-N 1 2 274.364 1.751 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000048433447 375311564 /nfs/dbraw/zinc/31/15/64/375311564.db2.gz ZYQJRRKNUFCCKK-HIFRSBDPSA-N 1 2 274.364 1.751 20 30 CDEDLO CCc1nc(C)c(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)o1 ZINC000427867313 247207682 /nfs/dbraw/zinc/20/76/82/247207682.db2.gz UQVAHVIOKHEFPX-HNNXBMFYSA-N 1 2 298.346 1.733 20 30 CDEDLO N#CC1(F)CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000343234911 375801919 /nfs/dbraw/zinc/80/19/19/375801919.db2.gz OGORQAOKHBRIGN-UHFFFAOYSA-N 1 2 275.331 1.909 20 30 CDEDLO N#CC1(F)CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000343234911 375801920 /nfs/dbraw/zinc/80/19/20/375801920.db2.gz OGORQAOKHBRIGN-UHFFFAOYSA-N 1 2 275.331 1.909 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(C#N)[nH]1 ZINC000133669282 375809887 /nfs/dbraw/zinc/80/98/87/375809887.db2.gz MHYAPDUTYWEVMU-UHFFFAOYSA-N 1 2 257.297 1.245 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(C#N)cc1 ZINC000045956138 375792248 /nfs/dbraw/zinc/79/22/48/375792248.db2.gz RFQPYWVVOALCRX-GFCCVEGCSA-N 1 2 288.351 1.400 20 30 CDEDLO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000328606192 375889937 /nfs/dbraw/zinc/88/99/37/375889937.db2.gz KFNQVWSQEOCLDQ-CKYFFXLPSA-N 1 2 276.340 1.767 20 30 CDEDLO C[C@@H]1COCCN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328597664 375919115 /nfs/dbraw/zinc/91/91/15/375919115.db2.gz AKGYATWGYLUKQH-VXGBXAGGSA-N 1 2 278.356 1.395 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@]1(C)CCC(=O)NC1 ZINC000328688464 375928042 /nfs/dbraw/zinc/92/80/42/375928042.db2.gz ZZEJVGZVOKLEGT-BXUZGUMPSA-N 1 2 283.372 1.420 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@]1(C)CCC(=O)NC1 ZINC000328688464 375928050 /nfs/dbraw/zinc/92/80/50/375928050.db2.gz ZZEJVGZVOKLEGT-BXUZGUMPSA-N 1 2 283.372 1.420 20 30 CDEDLO C[C@@H](NC(=O)N1CCn2cc[nH+]c2C1)c1cn[nH]c1 ZINC000328878307 375996811 /nfs/dbraw/zinc/99/68/11/375996811.db2.gz UOVDKGGDAKGKER-SECBINFHSA-N 1 2 260.301 1.097 20 30 CDEDLO CCc1onc(C)c1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000328895369 376004577 /nfs/dbraw/zinc/00/45/77/376004577.db2.gz WFKJOWZFCGPCRY-JTQLQIEISA-N 1 2 253.302 1.464 20 30 CDEDLO CCc1onc(C)c1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000328895369 376004582 /nfs/dbraw/zinc/00/45/82/376004582.db2.gz WFKJOWZFCGPCRY-JTQLQIEISA-N 1 2 253.302 1.464 20 30 CDEDLO O=C(C[N@@H+]1CCOCC12CCCC2)NC(=O)NC1CC1 ZINC000328937317 376013689 /nfs/dbraw/zinc/01/36/89/376013689.db2.gz RDSGXYNVMOVUTE-UHFFFAOYSA-N 1 2 281.356 1.664 20 30 CDEDLO O=C(C[N@H+]1CCOCC12CCCC2)NC(=O)NC1CC1 ZINC000328937317 376013692 /nfs/dbraw/zinc/01/36/92/376013692.db2.gz RDSGXYNVMOVUTE-UHFFFAOYSA-N 1 2 281.356 1.664 20 30 CDEDLO CN1CCOC[C@@H]1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000328944677 376015444 /nfs/dbraw/zinc/01/54/44/376015444.db2.gz UVSRCYGBCSNSSI-SNVBAGLBSA-N 1 2 296.396 1.050 20 30 CDEDLO CN1CCOC[C@@H]1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000328944677 376015450 /nfs/dbraw/zinc/01/54/50/376015450.db2.gz UVSRCYGBCSNSSI-SNVBAGLBSA-N 1 2 296.396 1.050 20 30 CDEDLO CNC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000330629664 376297204 /nfs/dbraw/zinc/29/72/04/376297204.db2.gz BLTXTLDPHGINOM-UHFFFAOYSA-N 1 2 250.224 1.421 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)N2CCc3c[nH+]ccc32)s1 ZINC000435429874 248169631 /nfs/dbraw/zinc/16/96/31/248169631.db2.gz WFLCJNLAWJMDGG-UHFFFAOYSA-N 1 2 291.357 1.766 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000073871912 376857890 /nfs/dbraw/zinc/85/78/90/376857890.db2.gz HIVVKONSHIOHQF-CYBMUJFWSA-N 1 2 266.385 1.686 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000073871912 376857895 /nfs/dbraw/zinc/85/78/95/376857895.db2.gz HIVVKONSHIOHQF-CYBMUJFWSA-N 1 2 266.385 1.686 20 30 CDEDLO COC(=O)CN(CC#N)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000172358822 377481748 /nfs/dbraw/zinc/48/17/48/377481748.db2.gz POGBUTADKBXGLF-UHFFFAOYSA-N 1 2 298.302 1.011 20 30 CDEDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000120912465 377731941 /nfs/dbraw/zinc/73/19/41/377731941.db2.gz OFPGXZUKEJCSAJ-LLVKDONJSA-N 1 2 298.383 1.952 20 30 CDEDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000120912465 377731949 /nfs/dbraw/zinc/73/19/49/377731949.db2.gz OFPGXZUKEJCSAJ-LLVKDONJSA-N 1 2 298.383 1.952 20 30 CDEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000270006312 377836044 /nfs/dbraw/zinc/83/60/44/377836044.db2.gz ZTTAURYCBKXRQH-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000280594593 377967678 /nfs/dbraw/zinc/96/76/78/377967678.db2.gz OIXROOBOSSQWDF-MJBXVCDLSA-N 1 2 292.383 1.552 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N(C)Cc1cccc(OC)c1 ZINC000293304600 378555996 /nfs/dbraw/zinc/55/59/96/378555996.db2.gz WQMJGVSJWOFING-UHFFFAOYSA-N 1 2 274.364 1.609 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N(C)Cc1cccc(OC)c1 ZINC000293304600 378556007 /nfs/dbraw/zinc/55/60/07/378556007.db2.gz WQMJGVSJWOFING-UHFFFAOYSA-N 1 2 274.364 1.609 20 30 CDEDLO N#C[C@@H](CCc1ccccc1)C(=O)NCc1[nH]cc[nH+]1 ZINC000343488610 378891706 /nfs/dbraw/zinc/89/17/06/378891706.db2.gz YUUBNADQJCBVAH-CYBMUJFWSA-N 1 2 268.320 1.798 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000343533170 378923808 /nfs/dbraw/zinc/92/38/08/378923808.db2.gz PXWVAZFCPIDHSV-ZIAGYGMSSA-N 1 2 267.417 1.483 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000278781660 194153296 /nfs/dbraw/zinc/15/32/96/194153296.db2.gz XSCJRMJDVNJEHW-INIZCTEOSA-N 1 2 289.379 1.625 20 30 CDEDLO C#Cc1ccc(C[N@@H+](CC=C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000278903072 194204528 /nfs/dbraw/zinc/20/45/28/194204528.db2.gz IXVWGMJVUVAUKP-INIZCTEOSA-N 1 2 289.400 1.843 20 30 CDEDLO C#Cc1ccc(C[N@H+](CC=C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000278903072 194204530 /nfs/dbraw/zinc/20/45/30/194204530.db2.gz IXVWGMJVUVAUKP-INIZCTEOSA-N 1 2 289.400 1.843 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(F)c(C#N)c1 ZINC000278923042 194214587 /nfs/dbraw/zinc/21/45/87/194214587.db2.gz SABYNICVTNHVMM-NSHDSACASA-N 1 2 291.326 1.148 20 30 CDEDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1CC#Cc1ccccc1 ZINC000334584366 379425733 /nfs/dbraw/zinc/42/57/33/379425733.db2.gz VPKNXRIWPNCDLZ-KDOFPFPSSA-N 1 2 261.390 1.881 20 30 CDEDLO C[C@@H]1CC[S@](=O)CC[N@H+]1CC#Cc1ccccc1 ZINC000334584366 379425737 /nfs/dbraw/zinc/42/57/37/379425737.db2.gz VPKNXRIWPNCDLZ-KDOFPFPSSA-N 1 2 261.390 1.881 20 30 CDEDLO C#CCCCC(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000192135660 533007562 /nfs/dbraw/zinc/00/75/62/533007562.db2.gz HZRVLQDTTWXYSQ-LBPRGKRZSA-N 1 2 279.409 1.425 20 30 CDEDLO COCC[N@H+](Cc1ccc(F)cc1C#N)[C@H]1CCOC1 ZINC000490045962 253025043 /nfs/dbraw/zinc/02/50/43/253025043.db2.gz PUSJGCXKXGQTRN-HNNXBMFYSA-N 1 2 278.327 1.935 20 30 CDEDLO COCC[N@@H+](Cc1ccc(F)cc1C#N)[C@H]1CCOC1 ZINC000490045962 253025045 /nfs/dbraw/zinc/02/50/45/253025045.db2.gz PUSJGCXKXGQTRN-HNNXBMFYSA-N 1 2 278.327 1.935 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc3ccc(C)cn23)C1=O ZINC000281223375 195155187 /nfs/dbraw/zinc/15/51/87/195155187.db2.gz KMVFUAUROLRFRA-HNNXBMFYSA-N 1 2 298.390 1.861 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc3ccc(C)cn23)C1=O ZINC000281223375 195155190 /nfs/dbraw/zinc/15/51/90/195155190.db2.gz KMVFUAUROLRFRA-HNNXBMFYSA-N 1 2 298.390 1.861 20 30 CDEDLO C=CCN1CC[C@H](N(C)Cc2c[nH+]c3ccc(C)cn23)C1=O ZINC000281223375 195155191 /nfs/dbraw/zinc/15/51/91/195155191.db2.gz KMVFUAUROLRFRA-HNNXBMFYSA-N 1 2 298.390 1.861 20 30 CDEDLO C=CCCOCCNC(=O)CCc1c[nH+]cn1C ZINC000281373230 195215319 /nfs/dbraw/zinc/21/53/19/195215319.db2.gz XWPWBAGEXCVGAP-UHFFFAOYSA-N 1 2 251.330 1.062 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)c2nc(C)cc(=O)[nH]2)C1=O ZINC000281480576 195258425 /nfs/dbraw/zinc/25/84/25/195258425.db2.gz WPHJZSODPNKGLN-NWDGAFQWSA-N 1 2 290.367 1.270 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)c2nc(C)cc(=O)[nH]2)C1=O ZINC000281480576 195258428 /nfs/dbraw/zinc/25/84/28/195258428.db2.gz WPHJZSODPNKGLN-NWDGAFQWSA-N 1 2 290.367 1.270 20 30 CDEDLO CS(=O)(=O)N1CC[C@@H](C/[NH+]=C/c2ccccc2O)C1 ZINC000133095978 390934673 /nfs/dbraw/zinc/93/46/73/390934673.db2.gz LBYJWQUPRDITJB-LUHPIMIVSA-N 1 2 282.365 1.093 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000247741746 390915704 /nfs/dbraw/zinc/91/57/04/390915704.db2.gz XCDKGKGHAAGVPX-IUODEOHRSA-N 1 2 287.363 1.996 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000247741746 390915705 /nfs/dbraw/zinc/91/57/05/390915705.db2.gz XCDKGKGHAAGVPX-IUODEOHRSA-N 1 2 287.363 1.996 20 30 CDEDLO Cc1ccccc1CC(=O)N1CC[NH+](CCCC#N)CC1 ZINC000155141098 390917421 /nfs/dbraw/zinc/91/74/21/390917421.db2.gz HWMYVHKMAWRBQT-UHFFFAOYSA-N 1 2 285.391 1.986 20 30 CDEDLO CC1(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)COC1 ZINC000329447884 390990693 /nfs/dbraw/zinc/99/06/93/390990693.db2.gz LMJRIKCTEWMRNK-UHFFFAOYSA-N 1 2 256.346 1.090 20 30 CDEDLO CC1(C(=O)NCC[N@H+]2CCOC(C)(C)C2)COC1 ZINC000329447884 390990695 /nfs/dbraw/zinc/99/06/95/390990695.db2.gz LMJRIKCTEWMRNK-UHFFFAOYSA-N 1 2 256.346 1.090 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC1)C1CCOCC1 ZINC000329488179 390998116 /nfs/dbraw/zinc/99/81/16/390998116.db2.gz RSUWVQXBEMMUMH-LBPRGKRZSA-N 1 2 278.356 1.508 20 30 CDEDLO CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329529844 391005300 /nfs/dbraw/zinc/00/53/00/391005300.db2.gz VKSOAGOMLJTVRV-MELADBBJSA-N 1 2 296.411 1.746 20 30 CDEDLO CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329529844 391005303 /nfs/dbraw/zinc/00/53/03/391005303.db2.gz VKSOAGOMLJTVRV-MELADBBJSA-N 1 2 296.411 1.746 20 30 CDEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CCCSC2)CC1 ZINC000329537979 391007778 /nfs/dbraw/zinc/00/77/78/391007778.db2.gz VGTHSDHUZWXCFM-ZDUSSCGKSA-N 1 2 299.440 1.250 20 30 CDEDLO Cc1cc(C)nc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1 ZINC000329637685 391055256 /nfs/dbraw/zinc/05/52/56/391055256.db2.gz VSJSJURZGIVZAH-OLZOCXBDSA-N 1 2 290.367 1.259 20 30 CDEDLO Cc1cc(C)nc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1 ZINC000329637685 391055262 /nfs/dbraw/zinc/05/52/62/391055262.db2.gz VSJSJURZGIVZAH-OLZOCXBDSA-N 1 2 290.367 1.259 20 30 CDEDLO CN(Cc1ccco1)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352451390 391142128 /nfs/dbraw/zinc/14/21/28/391142128.db2.gz WKEBTXZZACLRBQ-UHFFFAOYSA-N 1 2 279.315 1.566 20 30 CDEDLO C[C@@H]1CCCN(C(=O)C[NH+]2CCC(F)(C#N)CC2)C1 ZINC000352492486 391156216 /nfs/dbraw/zinc/15/62/16/391156216.db2.gz YPHKEYKKRZWJEJ-GFCCVEGCSA-N 1 2 267.348 1.573 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCCCC[C@H]2C(=O)OC)C1=O ZINC000374158299 391151517 /nfs/dbraw/zinc/15/15/17/391151517.db2.gz CDPJADOLMUFJAI-STQMWFEESA-N 1 2 280.368 1.191 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCCCC[C@H]2C(=O)OC)C1=O ZINC000374158299 391151519 /nfs/dbraw/zinc/15/15/19/391151519.db2.gz CDPJADOLMUFJAI-STQMWFEESA-N 1 2 280.368 1.191 20 30 CDEDLO N#CCCN(CCC#N)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177115745 391164145 /nfs/dbraw/zinc/16/41/45/391164145.db2.gz FCRWWXOSUXQQKQ-UHFFFAOYSA-N 1 2 280.335 1.897 20 30 CDEDLO C#CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CCCC1 ZINC000491623409 391164965 /nfs/dbraw/zinc/16/49/65/391164965.db2.gz IXLFRZPVVNRLQU-LBPRGKRZSA-N 1 2 259.353 1.993 20 30 CDEDLO C#CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CCCC1 ZINC000491623409 391164969 /nfs/dbraw/zinc/16/49/69/391164969.db2.gz IXLFRZPVVNRLQU-LBPRGKRZSA-N 1 2 259.353 1.993 20 30 CDEDLO CC[C@H](C)NC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(OC)cc1 ZINC000178140361 391182254 /nfs/dbraw/zinc/18/22/54/391182254.db2.gz YYNFIIJLEFIBJD-WDEREUQCSA-N 1 2 293.367 1.635 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000375902841 391204672 /nfs/dbraw/zinc/20/46/72/391204672.db2.gz GQDCCBXYHISWQA-TZMCWYRMSA-N 1 2 279.384 1.248 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000375902841 391204674 /nfs/dbraw/zinc/20/46/74/391204674.db2.gz GQDCCBXYHISWQA-TZMCWYRMSA-N 1 2 279.384 1.248 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCN1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000366491585 391353706 /nfs/dbraw/zinc/35/37/06/391353706.db2.gz RKBWGYXPMWHBHF-JQHSSLGASA-N 1 2 299.418 1.946 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCN1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000366491585 391353711 /nfs/dbraw/zinc/35/37/11/391353711.db2.gz RKBWGYXPMWHBHF-JQHSSLGASA-N 1 2 299.418 1.946 20 30 CDEDLO C[C@H]1COCCN1CC[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000366491585 391353715 /nfs/dbraw/zinc/35/37/15/391353715.db2.gz RKBWGYXPMWHBHF-JQHSSLGASA-N 1 2 299.418 1.946 20 30 CDEDLO C[C@H]1COCCN1CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000366491585 391353718 /nfs/dbraw/zinc/35/37/18/391353718.db2.gz RKBWGYXPMWHBHF-JQHSSLGASA-N 1 2 299.418 1.946 20 30 CDEDLO C=CC[NH+](CC=C)[C@@H](C)c1nc(N)nc(N(C)C)n1 ZINC000411167381 391402113 /nfs/dbraw/zinc/40/21/13/391402113.db2.gz WZAVNQJSZTXNEQ-JTQLQIEISA-N 1 2 262.361 1.085 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000354458732 391420485 /nfs/dbraw/zinc/42/04/85/391420485.db2.gz MJTYGUDPHYRNHR-WFASDCNBSA-N 1 2 295.383 1.022 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000354458732 391420488 /nfs/dbraw/zinc/42/04/88/391420488.db2.gz MJTYGUDPHYRNHR-WFASDCNBSA-N 1 2 295.383 1.022 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000349238541 391538650 /nfs/dbraw/zinc/53/86/50/391538650.db2.gz KHFWGJKLEVQSSN-COPLHBTASA-N 1 2 278.356 1.768 20 30 CDEDLO CCC[N@H+](CC(=O)NC1(C#N)CCC1)[C@H](C)C(=O)OCC ZINC000411651848 391495069 /nfs/dbraw/zinc/49/50/69/391495069.db2.gz UHWDVILVIFVQAH-GFCCVEGCSA-N 1 2 295.383 1.212 20 30 CDEDLO CCC[N@@H+](CC(=O)NC1(C#N)CCC1)[C@H](C)C(=O)OCC ZINC000411651848 391495070 /nfs/dbraw/zinc/49/50/70/391495070.db2.gz UHWDVILVIFVQAH-GFCCVEGCSA-N 1 2 295.383 1.212 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000340000022 391609953 /nfs/dbraw/zinc/60/99/53/391609953.db2.gz YFIFKDLPYDDFNI-UHFFFAOYSA-N 1 2 290.411 1.667 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCN(C)C[C@@H]2c2ccccc2)C1=O ZINC000281960097 391666302 /nfs/dbraw/zinc/66/63/02/391666302.db2.gz KKCMRUWAAGRJSI-IAGOWNOFSA-N 1 2 299.418 1.762 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(C)C[C@@H]2c2ccccc2)C1=O ZINC000281960097 391666305 /nfs/dbraw/zinc/66/63/05/391666305.db2.gz KKCMRUWAAGRJSI-IAGOWNOFSA-N 1 2 299.418 1.762 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2)C1=O ZINC000281925637 391675366 /nfs/dbraw/zinc/67/53/66/391675366.db2.gz HOKOXRZZBDIDEU-AWEZNQCLSA-N 1 2 287.363 1.344 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2)C1=O ZINC000281925637 391675369 /nfs/dbraw/zinc/67/53/69/391675369.db2.gz HOKOXRZZBDIDEU-AWEZNQCLSA-N 1 2 287.363 1.344 20 30 CDEDLO CC[N@@H+](Cc1nn2c(nc(C)cc2=O)s1)C[C@@H](C)C#N ZINC000193501572 391745306 /nfs/dbraw/zinc/74/53/06/391745306.db2.gz OZDDALFJUYGITP-VIFPVBQESA-N 1 2 291.380 1.441 20 30 CDEDLO CC[N@H+](Cc1nn2c(nc(C)cc2=O)s1)C[C@@H](C)C#N ZINC000193501572 391745307 /nfs/dbraw/zinc/74/53/07/391745307.db2.gz OZDDALFJUYGITP-VIFPVBQESA-N 1 2 291.380 1.441 20 30 CDEDLO [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+]C1(C(F)F)CC1 ZINC000329753930 391771643 /nfs/dbraw/zinc/77/16/43/391771643.db2.gz 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/nfs/dbraw/zinc/79/97/72/391799772.db2.gz FJIGSHNTHURBBZ-JTQLQIEISA-N 1 2 291.355 1.622 20 30 CDEDLO Cc1cc(N2CCN3C(=O)OCC[C@H]3C2)c(C#N)c[nH+]1 ZINC000496576692 391923775 /nfs/dbraw/zinc/92/37/75/391923775.db2.gz CWLIJUGFFNQNGL-LBPRGKRZSA-N 1 2 272.308 1.293 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000263695979 131311043 /nfs/dbraw/zinc/31/10/43/131311043.db2.gz SOTYDQQDJJYYRU-MRXNPFEDSA-N 1 2 288.391 1.970 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000263695979 131311044 /nfs/dbraw/zinc/31/10/44/131311044.db2.gz SOTYDQQDJJYYRU-MRXNPFEDSA-N 1 2 288.391 1.970 20 30 CDEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000263734879 131318273 /nfs/dbraw/zinc/31/82/73/131318273.db2.gz CRYOSWRIQZMSPS-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO CC[C@@H](NC(=O)CNc1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000442805047 392494420 /nfs/dbraw/zinc/49/44/20/392494420.db2.gz XJTGOQZYRJFCCZ-CYBMUJFWSA-N 1 2 283.335 1.961 20 30 CDEDLO C=C[C@H](O)C(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000646592446 392584259 /nfs/dbraw/zinc/58/42/59/392584259.db2.gz PDSFIAHVQWXTTB-AWEZNQCLSA-N 1 2 262.353 1.566 20 30 CDEDLO C=C[C@H](O)C(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000646592446 392584262 /nfs/dbraw/zinc/58/42/62/392584262.db2.gz PDSFIAHVQWXTTB-AWEZNQCLSA-N 1 2 262.353 1.566 20 30 CDEDLO C[C@H]1[C@H](CO)CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000412066330 392819754 /nfs/dbraw/zinc/81/97/54/392819754.db2.gz DGAFMUYDIAKTAK-JQWIXIFHSA-N 1 2 293.392 1.651 20 30 CDEDLO C[C@H]1[C@H](CO)CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000412066330 392819757 /nfs/dbraw/zinc/81/97/57/392819757.db2.gz DGAFMUYDIAKTAK-JQWIXIFHSA-N 1 2 293.392 1.651 20 30 CDEDLO COC(=O)CSCCNc1cc(C)[nH+]cc1C#N ZINC000425222757 392995456 /nfs/dbraw/zinc/99/54/56/392995456.db2.gz IZXVSQVILDTEMU-UHFFFAOYSA-N 1 2 265.338 1.002 20 30 CDEDLO CCO[C@H]1C[C@@](O)(CNc2cc(C)[nH+]cc2C#N)C1(C)C ZINC000425252411 393005934 /nfs/dbraw/zinc/00/59/34/393005934.db2.gz HDQZMITUHMDHEY-GOEBONIOSA-N 1 2 289.379 1.662 20 30 CDEDLO N#Cc1cc(NC(=O)NCc2ccc(N)[nH+]c2)ccc1F ZINC000448545828 393119506 /nfs/dbraw/zinc/11/95/06/393119506.db2.gz MXCRZUBURHRGNH-UHFFFAOYSA-N 1 2 285.282 1.827 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2cc(C#N)ccc2OC)CCO1 ZINC000179009283 140012281 /nfs/dbraw/zinc/01/22/81/140012281.db2.gz BSQVYXDZEJKGGH-CQSZACIVSA-N 1 2 276.336 1.414 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2OC)CCO1 ZINC000179009283 140012282 /nfs/dbraw/zinc/01/22/82/140012282.db2.gz BSQVYXDZEJKGGH-CQSZACIVSA-N 1 2 276.336 1.414 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCn1cc(C#N)c(=O)c2ccccc21 ZINC000193490035 140145291 /nfs/dbraw/zinc/14/52/91/140145291.db2.gz LGGZKEMQIMSDGJ-CYBMUJFWSA-N 1 2 297.358 1.594 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCn1cc(C#N)c(=O)c2ccccc21 ZINC000193490035 140145292 /nfs/dbraw/zinc/14/52/92/140145292.db2.gz LGGZKEMQIMSDGJ-CYBMUJFWSA-N 1 2 297.358 1.594 20 30 CDEDLO COCC[N@H+](CCOc1ccccc1C#N)CC(=O)OC ZINC000114197626 397601982 /nfs/dbraw/zinc/60/19/82/397601982.db2.gz PUIOAPHYJXIITN-UHFFFAOYSA-N 1 2 292.335 1.058 20 30 CDEDLO COCC[N@@H+](CCOc1ccccc1C#N)CC(=O)OC ZINC000114197626 397601985 /nfs/dbraw/zinc/60/19/85/397601985.db2.gz PUIOAPHYJXIITN-UHFFFAOYSA-N 1 2 292.335 1.058 20 30 CDEDLO Cc1cccnc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115599572 147265659 /nfs/dbraw/zinc/26/56/59/147265659.db2.gz GNMKTFBYQCVMGS-HNNXBMFYSA-N 1 2 280.331 1.578 20 30 CDEDLO CO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000267838503 286061981 /nfs/dbraw/zinc/06/19/81/286061981.db2.gz TWLDDIVVOGUTTA-PWSUYJOCSA-N 1 2 291.351 1.816 20 30 CDEDLO CO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000267838503 286061982 /nfs/dbraw/zinc/06/19/82/286061982.db2.gz TWLDDIVVOGUTTA-PWSUYJOCSA-N 1 2 291.351 1.816 20 30 CDEDLO CN1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2Cl)C1=O ZINC000335942719 151136213 /nfs/dbraw/zinc/13/62/13/151136213.db2.gz KODKTLCZABMUEX-ZDUSSCGKSA-N 1 2 277.755 1.874 20 30 CDEDLO CN1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2Cl)C1=O ZINC000335942719 151136214 /nfs/dbraw/zinc/13/62/14/151136214.db2.gz KODKTLCZABMUEX-ZDUSSCGKSA-N 1 2 277.755 1.874 20 30 CDEDLO N#Cc1cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c[nH]1 ZINC000346743124 153291776 /nfs/dbraw/zinc/29/17/76/153291776.db2.gz NFYSHSVKRXNPJE-CQSZACIVSA-N 1 2 282.303 1.575 20 30 CDEDLO N#Cc1ccc2c(c1)[C@H]([NH2+]CC(F)(F)CO)CC2 ZINC000353666703 156000937 /nfs/dbraw/zinc/00/09/37/156000937.db2.gz RPVJGORVSPSZAD-GFCCVEGCSA-N 1 2 252.264 1.763 20 30 CDEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccccc1C#N ZINC000356070638 157342807 /nfs/dbraw/zinc/34/28/07/157342807.db2.gz LMQZWBZSNNLWSW-NWDGAFQWSA-N 1 2 293.392 1.271 20 30 CDEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccccc1C#N ZINC000356070638 157342809 /nfs/dbraw/zinc/34/28/09/157342809.db2.gz LMQZWBZSNNLWSW-NWDGAFQWSA-N 1 2 293.392 1.271 20 30 CDEDLO Cn1cc(C[NH2+]Cc2nnnn2-c2ccccc2)cc1C#N ZINC000359736719 158356982 /nfs/dbraw/zinc/35/69/82/158356982.db2.gz BGGUDVGDWPTYAH-UHFFFAOYSA-N 1 2 293.334 1.162 20 30 CDEDLO COC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285429506 196281580 /nfs/dbraw/zinc/28/15/80/196281580.db2.gz HHAAOOXTTJAFPJ-UHFFFAOYSA-N 1 2 292.310 1.714 20 30 CDEDLO C[C@H](C#N)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000347069496 226013344 /nfs/dbraw/zinc/01/33/44/226013344.db2.gz NCOQCVNBNGBIOB-GFCCVEGCSA-N 1 2 272.352 1.848 20 30 CDEDLO CO[C@H]1C[C@@H](C(=O)Nc2cnc3onc(C)c3c2)[N@H+](C)C1 ZINC000329013423 227258379 /nfs/dbraw/zinc/25/83/79/227258379.db2.gz JBFLHBSYELKGBD-JQWIXIFHSA-N 1 2 290.323 1.838 20 30 CDEDLO CO[C@H]1C[C@@H](C(=O)Nc2cnc3onc(C)c3c2)[N@@H+](C)C1 ZINC000329013423 227258384 /nfs/dbraw/zinc/25/83/84/227258384.db2.gz JBFLHBSYELKGBD-JQWIXIFHSA-N 1 2 290.323 1.838 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C(N)=O ZINC000329209791 227354593 /nfs/dbraw/zinc/35/45/93/227354593.db2.gz YOVKFZVQLHNGFS-GMTAPVOTSA-N 1 2 291.355 1.215 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)CCCCC#N)C1 ZINC000332405310 228158080 /nfs/dbraw/zinc/15/80/80/228158080.db2.gz LPSZTYQTUUQYIF-LBPRGKRZSA-N 1 2 296.396 1.233 20 30 CDEDLO C=CCNc1[nH+]cnc2c1c(Br)nn2C ZINC000084645575 260191868 /nfs/dbraw/zinc/19/18/68/260191868.db2.gz LFRKIGGXKWTIJS-UHFFFAOYSA-N 1 2 268.118 1.724 20 30 CDEDLO Cc1ccc(C(N)=[NH+]OCC(=O)NC(C)C)cc1F ZINC000054269282 260216870 /nfs/dbraw/zinc/21/68/70/260216870.db2.gz VOHJUUSZVBMZQS-UHFFFAOYSA-N 1 2 267.304 1.296 20 30 CDEDLO C[C@H](O[NH+]=C(N)CCO)C(=O)Nc1cccc(Cl)c1 ZINC000121334528 260709445 /nfs/dbraw/zinc/70/94/45/260709445.db2.gz UZPJKKSNONLYBT-QMMMGPOBSA-N 1 2 285.731 1.338 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000133821246 260909768 /nfs/dbraw/zinc/90/97/68/260909768.db2.gz UDIVHDFSKBMONA-GFCCVEGCSA-N 1 2 289.354 1.944 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCc2ccc(F)cc2C1 ZINC000133821246 260909770 /nfs/dbraw/zinc/90/97/70/260909770.db2.gz UDIVHDFSKBMONA-GFCCVEGCSA-N 1 2 289.354 1.944 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1cccnc1 ZINC000155797791 261108359 /nfs/dbraw/zinc/10/83/59/261108359.db2.gz HYAGDUOVXAEAJT-LBPRGKRZSA-N 1 2 260.341 1.274 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1cccnc1 ZINC000155797791 261108358 /nfs/dbraw/zinc/10/83/58/261108358.db2.gz HYAGDUOVXAEAJT-LBPRGKRZSA-N 1 2 260.341 1.274 20 30 CDEDLO C#CCN(CC#CC)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000490679230 261184433 /nfs/dbraw/zinc/18/44/33/261184433.db2.gz RLSXNBYDEXHTQG-UHFFFAOYSA-N 1 2 280.331 1.502 20 30 CDEDLO C#CCN(CC#N)C(=O)[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000490994581 261284554 /nfs/dbraw/zinc/28/45/54/261284554.db2.gz DKOWUNGQRFODPA-HNNXBMFYSA-N 1 2 291.395 1.109 20 30 CDEDLO COc1cc(C[NH2+]CCC#N)cc(Cl)c1OCC(N)=O ZINC000020199474 262232585 /nfs/dbraw/zinc/23/25/85/262232585.db2.gz AUAZIDGHCIWHRP-UHFFFAOYSA-N 1 2 297.742 1.216 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1csc(COC)n1 ZINC000336695973 262380923 /nfs/dbraw/zinc/38/09/23/262380923.db2.gz PKJNTYVHGYSOFW-UHFFFAOYSA-N 1 2 256.371 1.924 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1csc(COC)n1 ZINC000336695973 262380925 /nfs/dbraw/zinc/38/09/25/262380925.db2.gz PKJNTYVHGYSOFW-UHFFFAOYSA-N 1 2 256.371 1.924 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000339747733 262663865 /nfs/dbraw/zinc/66/38/65/262663865.db2.gz AHSXKTNDQPVMFR-KBPBESRZSA-N 1 2 250.386 1.979 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000339747733 262663866 /nfs/dbraw/zinc/66/38/66/262663866.db2.gz AHSXKTNDQPVMFR-KBPBESRZSA-N 1 2 250.386 1.979 20 30 CDEDLO COC[C@@H](C)O[NH+]=C(N)COc1cccc(C(=O)OC)c1 ZINC000267062444 262923127 /nfs/dbraw/zinc/92/31/27/262923127.db2.gz HETCPFOSAPNZSE-SNVBAGLBSA-N 1 2 296.323 1.176 20 30 CDEDLO CC1(C#N)CC[NH+](CC(=O)NCc2ccco2)CC1 ZINC000272594006 263007236 /nfs/dbraw/zinc/00/72/36/263007236.db2.gz PXHAEICTZBDOSL-UHFFFAOYSA-N 1 2 261.325 1.521 20 30 CDEDLO CN(C)[C@@H](C(=O)Nc1ccc(CC#N)cc1)c1c[nH+]cn1C ZINC000280712050 263063989 /nfs/dbraw/zinc/06/39/89/263063989.db2.gz GJOLALHYHYQHRG-OAHLLOKOSA-N 1 2 297.362 1.728 20 30 CDEDLO CN(C)C(=O)c1cccc(CO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000283755282 263084194 /nfs/dbraw/zinc/08/41/94/263084194.db2.gz AGPZTTJKGJQLAE-CYBMUJFWSA-N 1 2 291.351 1.356 20 30 CDEDLO NC(=[NH+]OCCOc1ccccc1)[C@H]1CCCO1 ZINC000284045999 263085431 /nfs/dbraw/zinc/08/54/31/263085431.db2.gz JCOHFSMBCJOWRM-GFCCVEGCSA-N 1 2 250.298 1.533 20 30 CDEDLO NC(=[NH+]OCCc1ccccc1F)[C@@H]1CCCO1 ZINC000284401364 263086746 /nfs/dbraw/zinc/08/67/46/263086746.db2.gz MZZDZUMKTVNXKT-LBPRGKRZSA-N 1 2 252.289 1.836 20 30 CDEDLO NC(=[NH+]OCc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCO1 ZINC000284499788 263087129 /nfs/dbraw/zinc/08/71/29/263087129.db2.gz SUUNFBMKVMCIFF-NSHDSACASA-N 1 2 283.259 1.702 20 30 CDEDLO COc1cc2[nH+]ccc(N3CCO[C@@H](C#N)C3)c2cc1OC ZINC000298387914 263218421 /nfs/dbraw/zinc/21/84/21/263218421.db2.gz VGOIREDKXJIZNK-NSHDSACASA-N 1 2 299.330 1.981 20 30 CDEDLO C=CCN(Cc1cc(OC)cc[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC000121175237 263291879 /nfs/dbraw/zinc/29/18/79/263291879.db2.gz QUJDYJWFTFUNEI-ZDUSSCGKSA-N 1 2 296.392 1.265 20 30 CDEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@@H](C)O1 ZINC000330705463 264019387 /nfs/dbraw/zinc/01/93/87/264019387.db2.gz SDYIIRBRHGKXEP-KQTLUZQSSA-N 1 2 295.427 1.929 20 30 CDEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@@H](C)O1 ZINC000330705463 264019390 /nfs/dbraw/zinc/01/93/90/264019390.db2.gz SDYIIRBRHGKXEP-KQTLUZQSSA-N 1 2 295.427 1.929 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccoc1Cl ZINC000330954706 264087249 /nfs/dbraw/zinc/08/72/49/264087249.db2.gz MISNOCAYTWIFMG-VIFPVBQESA-N 1 2 272.732 1.958 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccoc1Cl ZINC000330954706 264087251 /nfs/dbraw/zinc/08/72/51/264087251.db2.gz MISNOCAYTWIFMG-VIFPVBQESA-N 1 2 272.732 1.958 20 30 CDEDLO N#CCCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000331132536 264149057 /nfs/dbraw/zinc/14/90/57/264149057.db2.gz HEHBUCALCGZYDY-UHFFFAOYSA-N 1 2 261.329 1.179 20 30 CDEDLO Cc1[nH]ccc1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000331355596 264207690 /nfs/dbraw/zinc/20/76/90/264207690.db2.gz QVYJXLGAYHWRLW-UHFFFAOYSA-N 1 2 265.357 1.739 20 30 CDEDLO C=CC[N@@H+](CC(=O)NCCCOC)Cc1ccccc1F ZINC000056312499 264391496 /nfs/dbraw/zinc/39/14/96/264391496.db2.gz HZBDYFIKRNSZMW-UHFFFAOYSA-N 1 2 294.370 1.966 20 30 CDEDLO C=CC[N@H+](CC(=O)NCCCOC)Cc1ccccc1F ZINC000056312499 264391498 /nfs/dbraw/zinc/39/14/98/264391498.db2.gz HZBDYFIKRNSZMW-UHFFFAOYSA-N 1 2 294.370 1.966 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](CNC(C)=O)C2)nn1 ZINC000653509688 424226079 /nfs/dbraw/zinc/22/60/79/424226079.db2.gz SFDBKUYGIZWNBW-AWEZNQCLSA-N 1 2 291.399 1.202 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)nn1 ZINC000653509688 424226087 /nfs/dbraw/zinc/22/60/87/424226087.db2.gz SFDBKUYGIZWNBW-AWEZNQCLSA-N 1 2 291.399 1.202 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000345808509 265100569 /nfs/dbraw/zinc/10/05/69/265100569.db2.gz IHPAVEGFWLEKGJ-NEPJUHHUSA-N 1 2 279.384 1.437 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000345808509 265100571 /nfs/dbraw/zinc/10/05/71/265100571.db2.gz IHPAVEGFWLEKGJ-NEPJUHHUSA-N 1 2 279.384 1.437 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](OCCOC)C2)nn1 ZINC000653593308 424310209 /nfs/dbraw/zinc/31/02/09/424310209.db2.gz WEEKNKSJJOKXCA-OAHLLOKOSA-N 1 2 294.399 1.482 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](OCCOC)C2)nn1 ZINC000653593308 424310218 /nfs/dbraw/zinc/31/02/18/424310218.db2.gz WEEKNKSJJOKXCA-OAHLLOKOSA-N 1 2 294.399 1.482 20 30 CDEDLO CCOCCCNC(=O)[C@@H](C)[N@H+](CC)C[C@@H](C)C#N ZINC000356481506 266123154 /nfs/dbraw/zinc/12/31/54/266123154.db2.gz TWRQHLCNBGCBOJ-QWHCGFSZSA-N 1 2 269.389 1.399 20 30 CDEDLO CCOCCCNC(=O)[C@@H](C)[N@@H+](CC)C[C@@H](C)C#N ZINC000356481506 266123158 /nfs/dbraw/zinc/12/31/58/266123158.db2.gz TWRQHLCNBGCBOJ-QWHCGFSZSA-N 1 2 269.389 1.399 20 30 CDEDLO COc1ccc([C@H](NC(=O)[C@@H](C)C#N)c2[nH+]ccn2C)cc1 ZINC000357800915 266365705 /nfs/dbraw/zinc/36/57/05/266365705.db2.gz OBACAOLCBKPNIJ-FZMZJTMJSA-N 1 2 298.346 1.794 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000362221321 266947710 /nfs/dbraw/zinc/94/77/10/266947710.db2.gz MOVLPGPSSLSYQT-GDBMZVCRSA-N 1 2 298.427 1.394 20 30 CDEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1CCC#N ZINC000363006333 267072912 /nfs/dbraw/zinc/07/29/12/267072912.db2.gz FBSJAJXLCXNIFI-AWEZNQCLSA-N 1 2 283.335 1.029 20 30 CDEDLO C=CC[N@H+](CCOCC1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000119532534 267344227 /nfs/dbraw/zinc/34/42/27/267344227.db2.gz GPDUKFCORGWACB-ZDUSSCGKSA-N 1 2 273.398 1.088 20 30 CDEDLO C=CC[N@@H+](CCOCC1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000119532534 267344229 /nfs/dbraw/zinc/34/42/29/267344229.db2.gz GPDUKFCORGWACB-ZDUSSCGKSA-N 1 2 273.398 1.088 20 30 CDEDLO C#CCC[N@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000371195382 267369299 /nfs/dbraw/zinc/36/92/99/267369299.db2.gz LTGFAVOXMPNMIV-UHFFFAOYSA-N 1 2 260.312 1.493 20 30 CDEDLO C#CCC[N@@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000371195382 267369301 /nfs/dbraw/zinc/36/93/01/267369301.db2.gz LTGFAVOXMPNMIV-UHFFFAOYSA-N 1 2 260.312 1.493 20 30 CDEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCN1CCNC1=O ZINC000377275316 268063098 /nfs/dbraw/zinc/06/30/98/268063098.db2.gz HXROJGZZOIXZMV-HZPDHXFCSA-N 1 2 298.390 1.783 20 30 CDEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCN1CCNC1=O ZINC000377275316 268063100 /nfs/dbraw/zinc/06/31/00/268063100.db2.gz HXROJGZZOIXZMV-HZPDHXFCSA-N 1 2 298.390 1.783 20 30 CDEDLO Cc1nn(C)cc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000515336395 268092297 /nfs/dbraw/zinc/09/22/97/268092297.db2.gz FKQGQKQVHUNERZ-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO N#Cc1cc(N2CCCC[C@H]2c2[nH]cc[nH+]2)ncn1 ZINC000527384374 268183785 /nfs/dbraw/zinc/18/37/85/268183785.db2.gz IYLGIJFXDFVJLN-NSHDSACASA-N 1 2 254.297 1.803 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000299190009 277682813 /nfs/dbraw/zinc/68/28/13/277682813.db2.gz CVQINRZUHPKFIL-AWEZNQCLSA-N 1 2 260.381 1.734 20 30 CDEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000295049668 277695170 /nfs/dbraw/zinc/69/51/70/277695170.db2.gz GNJGISRPJQAAAX-MCIONIFRSA-N 1 2 275.352 1.331 20 30 CDEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccccc1C#N)CCO2 ZINC000280609483 278059975 /nfs/dbraw/zinc/05/99/75/278059975.db2.gz XOPJBCHIYOTMJC-XJKSGUPXSA-N 1 2 272.348 1.938 20 30 CDEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccccc1C#N)CCO2 ZINC000280609483 278059976 /nfs/dbraw/zinc/05/99/76/278059976.db2.gz XOPJBCHIYOTMJC-XJKSGUPXSA-N 1 2 272.348 1.938 20 30 CDEDLO N#Cc1cccc(/C=C\C(=O)NCCCn2cc[nH+]c2)c1 ZINC000254991753 289348869 /nfs/dbraw/zinc/34/88/69/289348869.db2.gz QEAZDBQKARALRX-WAYWQWQTSA-N 1 2 280.331 1.974 20 30 CDEDLO N#Cc1cccc(NC(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000561249644 293069192 /nfs/dbraw/zinc/06/91/92/293069192.db2.gz FQKQBUBHIQQLMB-UHFFFAOYSA-N 1 2 267.292 1.844 20 30 CDEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccnc(C#N)n1 ZINC000565230829 293572116 /nfs/dbraw/zinc/57/21/16/293572116.db2.gz WRILMPCUWQNZSP-UHFFFAOYSA-N 1 2 268.324 1.517 20 30 CDEDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)o1 ZINC000571722061 294492701 /nfs/dbraw/zinc/49/27/01/294492701.db2.gz WVFCIXYFQXSLRD-SECBINFHSA-N 1 2 285.307 1.539 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)c1nc2c(cc1C#N)CCC2 ZINC000572192983 294575533 /nfs/dbraw/zinc/57/55/33/294575533.db2.gz PWMCWMPNNWFSFV-UHFFFAOYSA-N 1 2 253.309 1.801 20 30 CDEDLO N#Cc1ccc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)nn1 ZINC000301967546 303192694 /nfs/dbraw/zinc/19/26/94/303192694.db2.gz OWABCVQCKBJLJU-LLVKDONJSA-N 1 2 254.297 1.803 20 30 CDEDLO C=CCN(CC(F)(F)F)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493433938 327894116 /nfs/dbraw/zinc/89/41/16/327894116.db2.gz PGJRKFDQAHKFTB-ONEGZZNKSA-N 1 2 259.231 2.000 20 30 CDEDLO N#Cc1ccc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)o1 ZINC000350535179 316172478 /nfs/dbraw/zinc/17/24/78/316172478.db2.gz YKOPOORKMUTXBW-LBPRGKRZSA-N 1 2 286.291 1.737 20 30 CDEDLO N#Cc1ccc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)o1 ZINC000350535179 316172482 /nfs/dbraw/zinc/17/24/82/316172482.db2.gz YKOPOORKMUTXBW-LBPRGKRZSA-N 1 2 286.291 1.737 20 30 CDEDLO CC#CCNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000534239399 328041446 /nfs/dbraw/zinc/04/14/46/328041446.db2.gz ZRPQAIJONDKEMD-UHFFFAOYSA-N 1 2 277.393 1.599 20 30 CDEDLO C[C@]([NH2+]Cc1ccc(C#N)cn1)(C(N)=O)c1ccccc1 ZINC000577451364 317331231 /nfs/dbraw/zinc/33/12/31/317331231.db2.gz NZDDXGUTLRJLCR-MRXNPFEDSA-N 1 2 280.331 1.444 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000563363904 328059266 /nfs/dbraw/zinc/05/92/66/328059266.db2.gz DORVIHQKURYPRH-GFCCVEGCSA-N 1 2 256.309 1.779 20 30 CDEDLO N#CCCCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000273082863 328203854 /nfs/dbraw/zinc/20/38/54/328203854.db2.gz XYADOUMSQQILBI-UHFFFAOYSA-N 1 2 268.320 1.965 20 30 CDEDLO Cc1ccc([C@@H]([NH2+]CCC#N)[C@H](C)S(C)(=O)=O)cc1 ZINC000280948243 328237265 /nfs/dbraw/zinc/23/72/65/328237265.db2.gz XBMFEVXMDWSVIT-JSGCOSHPSA-N 1 2 280.393 1.973 20 30 CDEDLO CNC(=O)C1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000399588649 323886709 /nfs/dbraw/zinc/88/67/09/323886709.db2.gz OLLPKSSNQSBNPC-UHFFFAOYSA-N 1 2 258.325 1.224 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)nc1 ZINC000580089739 324366520 /nfs/dbraw/zinc/36/65/20/324366520.db2.gz ZNOCCNJYCLANSL-NSHDSACASA-N 1 2 285.307 1.421 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)nc1 ZINC000580089739 324366525 /nfs/dbraw/zinc/36/65/25/324366525.db2.gz ZNOCCNJYCLANSL-NSHDSACASA-N 1 2 285.307 1.421 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](C3N=NC(=O)O3)C2)nc1 ZINC000580089739 324366529 /nfs/dbraw/zinc/36/65/29/324366529.db2.gz ZNOCCNJYCLANSL-NSHDSACASA-N 1 2 285.307 1.421 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](C3N=NC(=O)O3)C2)nc1 ZINC000580089739 324366532 /nfs/dbraw/zinc/36/65/32/324366532.db2.gz ZNOCCNJYCLANSL-NSHDSACASA-N 1 2 285.307 1.421 20 30 CDEDLO N#Cc1cnn2cc(C[NH2+][C@@H]3CCCc4cn[nH]c43)cnc12 ZINC000583994723 325282022 /nfs/dbraw/zinc/28/20/22/325282022.db2.gz MFOXDDIJEZWAKJ-CYBMUJFWSA-N 1 2 293.334 1.491 20 30 CDEDLO C#CC[NH+]1CCN(Cn2nc(C)n(CCC)c2=S)CC1 ZINC000089649642 326940198 /nfs/dbraw/zinc/94/01/98/326940198.db2.gz QSPSSTHETGXZSK-UHFFFAOYSA-N 1 2 293.440 1.341 20 30 CDEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(Cl)cc2CC#N)C1 ZINC000521066723 327149525 /nfs/dbraw/zinc/14/95/25/327149525.db2.gz NVNJCSJULNIWBX-ZDUSSCGKSA-N 1 2 293.754 1.675 20 30 CDEDLO C[N@H+]1CCO[C@H](C(=O)Nc2ccc(Cl)cc2CC#N)C1 ZINC000521066723 327149526 /nfs/dbraw/zinc/14/95/26/327149526.db2.gz NVNJCSJULNIWBX-ZDUSSCGKSA-N 1 2 293.754 1.675 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000569488604 327185867 /nfs/dbraw/zinc/18/58/67/327185867.db2.gz CTGGTESSCTWCAT-ZMSDIMECSA-N 1 2 296.374 1.622 20 30 CDEDLO CCn1cc[nH+]c1CNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000569558092 327197902 /nfs/dbraw/zinc/19/79/02/327197902.db2.gz RDRQKWXKQGYVQI-OAHLLOKOSA-N 1 2 272.352 1.993 20 30 CDEDLO CCn1cc[nH+]c1CNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000569558091 327197921 /nfs/dbraw/zinc/19/79/21/327197921.db2.gz RDRQKWXKQGYVQI-HNNXBMFYSA-N 1 2 272.352 1.993 20 30 CDEDLO N#CCN1CC[NH+](Cc2conc2Cc2ccccc2)CC1 ZINC000560454196 327310293 /nfs/dbraw/zinc/31/02/93/327310293.db2.gz NADUAOXKIOZIJF-UHFFFAOYSA-N 1 2 296.374 1.907 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C(=O)OC)cc1 ZINC000377631212 329022261 /nfs/dbraw/zinc/02/22/61/329022261.db2.gz WBJPEKXVIZAMQF-HZPDHXFCSA-N 1 2 287.359 1.820 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C(=O)OC)cc1 ZINC000377631212 329022262 /nfs/dbraw/zinc/02/22/62/329022262.db2.gz WBJPEKXVIZAMQF-HZPDHXFCSA-N 1 2 287.359 1.820 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000175916797 329171043 /nfs/dbraw/zinc/17/10/43/329171043.db2.gz GWNBVNBKGVTKJI-CABCVRRESA-N 1 2 291.395 1.107 20 30 CDEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N1CCCC1 ZINC000177030962 329178394 /nfs/dbraw/zinc/17/83/94/329178394.db2.gz SYTATIWZSSJVNE-UHFFFAOYSA-N 1 2 251.374 1.871 20 30 CDEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N1CCCC1 ZINC000177030962 329178396 /nfs/dbraw/zinc/17/83/96/329178396.db2.gz SYTATIWZSSJVNE-UHFFFAOYSA-N 1 2 251.374 1.871 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(F)c(F)c1F ZINC000584533264 329515406 /nfs/dbraw/zinc/51/54/06/329515406.db2.gz VGSFJVFSCRUUPI-ZDUSSCGKSA-N 1 2 285.269 1.678 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cnn(C(C)C)c2)nn1 ZINC000424168808 330310533 /nfs/dbraw/zinc/31/05/33/330310533.db2.gz GJCKIIYJEUUXKC-UHFFFAOYSA-N 1 2 260.345 1.531 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(-c2ccccn2)no1 ZINC000514792112 330465395 /nfs/dbraw/zinc/46/53/95/330465395.db2.gz HHEBVOKPYIFVHQ-HNNXBMFYSA-N 1 2 299.334 1.310 20 30 CDEDLO C=C(C)CCNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000452717780 331073227 /nfs/dbraw/zinc/07/32/27/331073227.db2.gz NANBCNIRIILSFJ-UHFFFAOYSA-N 1 2 288.395 1.286 20 30 CDEDLO C=C(C)CCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000455322947 331166018 /nfs/dbraw/zinc/16/60/18/331166018.db2.gz KEIYHVKSJIQBFE-KBPBESRZSA-N 1 2 281.400 1.457 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456436519 331192549 /nfs/dbraw/zinc/19/25/49/331192549.db2.gz WJQUPOFJBLBHGT-FVCCEPFGSA-N 1 2 275.352 1.986 20 30 CDEDLO C=CCn1cccc1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000488750503 332024001 /nfs/dbraw/zinc/02/40/01/332024001.db2.gz NUGWEFSRXQQFOD-AWEZNQCLSA-N 1 2 289.379 1.221 20 30 CDEDLO C=C[C@@H](C)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000489063911 332039942 /nfs/dbraw/zinc/03/99/42/332039942.db2.gz CZDNFQGHDIODFG-JHJVBQTASA-N 1 2 259.353 1.845 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cnc(CC)s1 ZINC000490616963 332095958 /nfs/dbraw/zinc/09/59/58/332095958.db2.gz NDXUOBIMUSFUTR-LLVKDONJSA-N 1 2 278.377 1.960 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cnc(CC)s1 ZINC000490616963 332095960 /nfs/dbraw/zinc/09/59/60/332095960.db2.gz NDXUOBIMUSFUTR-LLVKDONJSA-N 1 2 278.377 1.960 20 30 CDEDLO C#CC[NH+](CC#C)Cc1c(C)nn(CC(=O)OCC)c1C ZINC000490713490 332107166 /nfs/dbraw/zinc/10/71/66/332107166.db2.gz KJJYLPBMGPVIDY-UHFFFAOYSA-N 1 2 287.363 1.131 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2CC)CC1 ZINC000491106342 332150605 /nfs/dbraw/zinc/15/06/05/332150605.db2.gz YBMCJSXXORGOLP-UHFFFAOYSA-N 1 2 261.373 1.177 20 30 CDEDLO C#C[C@H](CCC)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000491220557 332168765 /nfs/dbraw/zinc/16/87/65/332168765.db2.gz OMTCEKHRTNRWLN-RRFJBIMHSA-N 1 2 293.411 1.293 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000491277320 332179609 /nfs/dbraw/zinc/17/96/09/332179609.db2.gz NRAUOGCRAWKZME-UHFFFAOYSA-N 1 2 287.319 1.939 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000491277320 332179610 /nfs/dbraw/zinc/17/96/10/332179610.db2.gz NRAUOGCRAWKZME-UHFFFAOYSA-N 1 2 287.319 1.939 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000491404718 332205605 /nfs/dbraw/zinc/20/56/05/332205605.db2.gz DPOIBJXXQYGNNN-UHFFFAOYSA-N 1 2 290.363 1.227 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000491404718 332205607 /nfs/dbraw/zinc/20/56/07/332205607.db2.gz DPOIBJXXQYGNNN-UHFFFAOYSA-N 1 2 290.363 1.227 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1Cc1cc2ccccc2n(C)c1=O ZINC000491416734 332207809 /nfs/dbraw/zinc/20/78/09/332207809.db2.gz LJUGUDSZRZHKGP-OAHLLOKOSA-N 1 2 282.343 1.373 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1cc2ccccc2n(C)c1=O ZINC000491416734 332207811 /nfs/dbraw/zinc/20/78/11/332207811.db2.gz LJUGUDSZRZHKGP-OAHLLOKOSA-N 1 2 282.343 1.373 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(OCC)cc1 ZINC000491616123 332243389 /nfs/dbraw/zinc/24/33/89/332243389.db2.gz AFOYIWBKWWXQCB-LBPRGKRZSA-N 1 2 260.337 1.977 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(OCC)cc1 ZINC000491616123 332243390 /nfs/dbraw/zinc/24/33/90/332243390.db2.gz AFOYIWBKWWXQCB-LBPRGKRZSA-N 1 2 260.337 1.977 20 30 CDEDLO C#CCN[NH+]=Cc1sc(N2CCCC2)nc1Cl ZINC000491697787 332292892 /nfs/dbraw/zinc/29/28/92/332292892.db2.gz AORPQIWBQLANCD-UHFFFAOYSA-N 1 2 268.773 1.953 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(C)ccc2F)CC1 ZINC000491726755 332310076 /nfs/dbraw/zinc/31/00/76/332310076.db2.gz DMPIPGNQVYXSCP-UHFFFAOYSA-N 1 2 289.354 1.323 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000491745827 332323587 /nfs/dbraw/zinc/32/35/87/332323587.db2.gz YZLDYNAWWFBIDK-NWDGAFQWSA-N 1 2 260.341 1.299 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](O)COc1c(C)cccc1C ZINC000491759966 332331301 /nfs/dbraw/zinc/33/13/01/332331301.db2.gz OZUDPFNGVGLINX-HZPDHXFCSA-N 1 2 289.375 1.377 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](O)COc1c(C)cccc1C ZINC000491759966 332331302 /nfs/dbraw/zinc/33/13/02/332331302.db2.gz OZUDPFNGVGLINX-HZPDHXFCSA-N 1 2 289.375 1.377 20 30 CDEDLO C#CC[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000491765477 332333898 /nfs/dbraw/zinc/33/38/98/332333898.db2.gz CCAVDENPLSLLGQ-LSDHHAIUSA-N 1 2 276.380 1.254 20 30 CDEDLO C#CC[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000491765477 332333900 /nfs/dbraw/zinc/33/39/00/332333900.db2.gz CCAVDENPLSLLGQ-LSDHHAIUSA-N 1 2 276.380 1.254 20 30 CDEDLO CC(C)(C)OC(=O)N1CC([NH2+]C[C@H](C#N)CCC#N)C1 ZINC000496467987 332550473 /nfs/dbraw/zinc/55/04/73/332550473.db2.gz BYQXFKTWTHRARZ-NSHDSACASA-N 1 2 278.356 1.639 20 30 CDEDLO N#CCC[N@H+](CC1CC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000081060583 334177907 /nfs/dbraw/zinc/17/79/07/334177907.db2.gz ACYUSCOJYXIKPD-LLVKDONJSA-N 1 2 289.301 1.775 20 30 CDEDLO N#CCC[N@@H+](CC1CC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000081060583 334177908 /nfs/dbraw/zinc/17/79/08/334177908.db2.gz ACYUSCOJYXIKPD-LLVKDONJSA-N 1 2 289.301 1.775 20 30 CDEDLO Cc1nc(C(C)C)oc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000566309816 334642081 /nfs/dbraw/zinc/64/20/81/334642081.db2.gz TZMWLSJCQALHNY-CQSZACIVSA-N 1 2 278.356 1.680 20 30 CDEDLO C[C@H]([NH2+]CC(=O)NCC#N)c1c(F)cccc1Cl ZINC000181752867 335782697 /nfs/dbraw/zinc/78/26/97/335782697.db2.gz SXXOPXLBTWESRT-QMMMGPOBSA-N 1 2 269.707 1.769 20 30 CDEDLO C[C@H]1CCC[C@](C#N)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC000185676834 335955282 /nfs/dbraw/zinc/95/52/82/335955282.db2.gz GQAYGJNKYFLRGU-FZMZJTMJSA-N 1 2 260.341 1.551 20 30 CDEDLO C#CCCCCC(=O)N[C@H]1COC2(C[NH+](CCCF)C2)C1 ZINC001755059358 1159517447 /nfs/dbraw/zinc/51/74/47/1159517447.db2.gz PWLGRJCCWHOUMJ-CQSZACIVSA-N 1 2 296.386 1.499 20 30 CDEDLO C=C[C@H](O)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000669334349 482706796 /nfs/dbraw/zinc/70/67/96/482706796.db2.gz CZLGUVNLLAXZJX-KBPBESRZSA-N 1 2 285.347 1.367 20 30 CDEDLO CC#CCCNC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000681523952 482883752 /nfs/dbraw/zinc/88/37/52/482883752.db2.gz LBWQHECPFMCVGU-UHFFFAOYSA-N 1 2 284.363 1.898 20 30 CDEDLO COCC#CC[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000680434432 483619548 /nfs/dbraw/zinc/61/95/48/483619548.db2.gz JZCSFSFMLVQJTA-KRWDZBQOSA-N 1 2 273.376 1.970 20 30 CDEDLO COCC#CC[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000680434432 483619549 /nfs/dbraw/zinc/61/95/49/483619549.db2.gz JZCSFSFMLVQJTA-KRWDZBQOSA-N 1 2 273.376 1.970 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CC3(C#N)CCCCC3)C[C@@H]21 ZINC001272128273 1160656500 /nfs/dbraw/zinc/65/65/00/1160656500.db2.gz VSLWZZFHMLEWEG-KBPBESRZSA-N 1 2 291.395 1.392 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)CC3(C#N)CCCCC3)C[C@@H]21 ZINC001272128273 1160656504 /nfs/dbraw/zinc/65/65/04/1160656504.db2.gz VSLWZZFHMLEWEG-KBPBESRZSA-N 1 2 291.395 1.392 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](C)OCC(C)C)CC1 ZINC001112658519 1162048333 /nfs/dbraw/zinc/04/83/33/1162048333.db2.gz IPLHCEUNAKNHQX-CQSZACIVSA-N 1 2 268.401 1.768 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N[C@H](C)C[N@H+](C)CC(=C)Cl ZINC001754311149 1185570122 /nfs/dbraw/zinc/57/01/22/1185570122.db2.gz NKXGYLOQGDUGMA-NEPJUHHUSA-N 1 2 272.776 1.214 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N[C@H](C)C[N@@H+](C)CC(=C)Cl ZINC001754311149 1185570127 /nfs/dbraw/zinc/57/01/27/1185570127.db2.gz NKXGYLOQGDUGMA-NEPJUHHUSA-N 1 2 272.776 1.214 20 30 CDEDLO C[C@H](NC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1)C1CCOCC1 ZINC000330182059 534279983 /nfs/dbraw/zinc/27/99/83/534279983.db2.gz HAKLYAIIEPVNMP-AAEUAGOBSA-N 1 2 292.383 1.517 20 30 CDEDLO C[C@H]([NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1)C1CCOCC1 ZINC000330182059 534279986 /nfs/dbraw/zinc/27/99/86/534279986.db2.gz HAKLYAIIEPVNMP-AAEUAGOBSA-N 1 2 292.383 1.517 20 30 CDEDLO N#CCCCNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000352751182 534607942 /nfs/dbraw/zinc/60/79/42/534607942.db2.gz DFOMTZYTFDUKCS-UHFFFAOYSA-N 1 2 284.323 1.752 20 30 CDEDLO CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000156020778 523294212 /nfs/dbraw/zinc/29/42/12/523294212.db2.gz KNLNHXFEYVWZOS-HNNXBMFYSA-N 1 2 294.358 1.976 20 30 CDEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C1(O)CCOCC1 ZINC000330066418 534761315 /nfs/dbraw/zinc/76/13/15/534761315.db2.gz SVWBZNNQMKXSOC-GFCCVEGCSA-N 1 2 291.351 1.158 20 30 CDEDLO C[N@@H+]1CCO[C@@H]2CN(Cc3cccc(F)c3C#N)C[C@H]21 ZINC000428408795 536438452 /nfs/dbraw/zinc/43/84/52/536438452.db2.gz ZBCBBSFRZAERPO-HUUCEWRRSA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@H+]1CCO[C@@H]2CN(Cc3cccc(F)c3C#N)C[C@H]21 ZINC000428408795 536438453 /nfs/dbraw/zinc/43/84/53/536438453.db2.gz ZBCBBSFRZAERPO-HUUCEWRRSA-N 1 2 275.327 1.212 20 30 CDEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](O)C2)c(C#N)c1C ZINC000061708519 526881147 /nfs/dbraw/zinc/88/11/47/526881147.db2.gz NRIYTPDZTBOAMD-SNVBAGLBSA-N 1 2 279.365 1.242 20 30 CDEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](O)C2)c(C#N)c1C ZINC000061708519 526881154 /nfs/dbraw/zinc/88/11/54/526881154.db2.gz NRIYTPDZTBOAMD-SNVBAGLBSA-N 1 2 279.365 1.242 20 30 CDEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnnn1CC1CCOCC1 ZINC000330196446 527605481 /nfs/dbraw/zinc/60/54/81/527605481.db2.gz QGKVCBVTAOZWEE-AWEZNQCLSA-N 1 2 291.399 1.640 20 30 CDEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnnn1CC1CCOCC1 ZINC000330196446 527605485 /nfs/dbraw/zinc/60/54/85/527605485.db2.gz QGKVCBVTAOZWEE-AWEZNQCLSA-N 1 2 291.399 1.640 20 30 CDEDLO CC1(C)[C@H](O)C[C@@H]1NC(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000330240130 527882163 /nfs/dbraw/zinc/88/21/63/527882163.db2.gz BJZAFBWKPFWWGC-SDDRHHMPSA-N 1 2 292.383 1.424 20 30 CDEDLO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)[C@H]1C ZINC000329246032 529004385 /nfs/dbraw/zinc/00/43/85/529004385.db2.gz QVUCCINBEZQCAJ-SRVKXCTJSA-N 1 2 288.413 1.393 20 30 CDEDLO CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)[C@H]1C ZINC000329246032 529004389 /nfs/dbraw/zinc/00/43/89/529004389.db2.gz QVUCCINBEZQCAJ-SRVKXCTJSA-N 1 2 288.413 1.393 20 30 CDEDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1cc(C#N)cs1 ZINC000093417380 535639429 /nfs/dbraw/zinc/63/94/29/535639429.db2.gz WBJCOXWSBBQJTR-SNVBAGLBSA-N 1 2 286.422 1.875 20 30 CDEDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000093417380 535639434 /nfs/dbraw/zinc/63/94/34/535639434.db2.gz WBJCOXWSBBQJTR-SNVBAGLBSA-N 1 2 286.422 1.875 20 30 CDEDLO CC[C@H]1C[N@H+](CCNC(=O)c2sccc2C#N)CCO1 ZINC000428065175 536148771 /nfs/dbraw/zinc/14/87/71/536148771.db2.gz CQYYBDOMXJFBOY-LBPRGKRZSA-N 1 2 293.392 1.460 20 30 CDEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2sccc2C#N)CCO1 ZINC000428065175 536148773 /nfs/dbraw/zinc/14/87/73/536148773.db2.gz CQYYBDOMXJFBOY-LBPRGKRZSA-N 1 2 293.392 1.460 20 30 CDEDLO CO[C@@H]1CC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000435037096 536692186 /nfs/dbraw/zinc/69/21/86/536692186.db2.gz VRGPTWDMURFEIS-NEPJUHHUSA-N 1 2 291.376 1.446 20 30 CDEDLO CO[C@@H]1CC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000435037096 536692192 /nfs/dbraw/zinc/69/21/92/536692192.db2.gz VRGPTWDMURFEIS-NEPJUHHUSA-N 1 2 291.376 1.446 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000727779695 574598505 /nfs/dbraw/zinc/59/85/05/574598505.db2.gz QBUORISEAVBFMF-QMMMGPOBSA-N 1 2 273.296 1.099 20 30 CDEDLO C=C(C)CN(CC)C(=O)COC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000741147111 574987684 /nfs/dbraw/zinc/98/76/84/574987684.db2.gz GWZTYWPYRUEYQT-AWEZNQCLSA-N 1 2 296.411 1.829 20 30 CDEDLO C=C(C)CN(CC)C(=O)COC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000741147111 574987686 /nfs/dbraw/zinc/98/76/86/574987686.db2.gz GWZTYWPYRUEYQT-AWEZNQCLSA-N 1 2 296.411 1.829 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)Cc1scnc1C ZINC000731231454 575040545 /nfs/dbraw/zinc/04/05/45/575040545.db2.gz YSRWTADAGMYLQI-LBPRGKRZSA-N 1 2 277.393 1.508 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1scnc1C ZINC000731231454 575040547 /nfs/dbraw/zinc/04/05/47/575040547.db2.gz YSRWTADAGMYLQI-LBPRGKRZSA-N 1 2 277.393 1.508 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(SC)nc1 ZINC000732066796 575077700 /nfs/dbraw/zinc/07/77/00/575077700.db2.gz CAGAQLVHLGGPTP-LBPRGKRZSA-N 1 2 275.377 1.840 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(SC)nc1 ZINC000732066796 575077701 /nfs/dbraw/zinc/07/77/01/575077701.db2.gz CAGAQLVHLGGPTP-LBPRGKRZSA-N 1 2 275.377 1.840 20 30 CDEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1CCCC1=O ZINC000733294931 575112893 /nfs/dbraw/zinc/11/28/93/575112893.db2.gz RNMYGXCKYXGWLR-UHFFFAOYSA-N 1 2 287.363 1.587 20 30 CDEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1CCCC1=O ZINC000733294931 575112895 /nfs/dbraw/zinc/11/28/95/575112895.db2.gz RNMYGXCKYXGWLR-UHFFFAOYSA-N 1 2 287.363 1.587 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)C=C2CCC(C)CC2)CC1 ZINC000734129499 575159906 /nfs/dbraw/zinc/15/99/06/575159906.db2.gz STTOVRNVHRWFIB-UHFFFAOYSA-N 1 2 260.381 1.900 20 30 CDEDLO CC(C)(CNN=Cc1cccc2[nH+]ccn21)S(C)(=O)=O ZINC000774482603 575207920 /nfs/dbraw/zinc/20/79/20/575207920.db2.gz MGFAVMOKUIWMFS-UHFFFAOYSA-N 1 2 294.380 1.081 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]Nc1cc(C)ccc1F ZINC000759651985 576415610 /nfs/dbraw/zinc/41/56/10/576415610.db2.gz DYTFJMBWKGOXCC-UHFFFAOYSA-N 1 2 275.287 1.961 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761056644 576539287 /nfs/dbraw/zinc/53/92/87/576539287.db2.gz OQWVPKJFUQUECN-ZYHUDNBSSA-N 1 2 291.317 1.925 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761056644 576539290 /nfs/dbraw/zinc/53/92/90/576539290.db2.gz OQWVPKJFUQUECN-ZYHUDNBSSA-N 1 2 291.317 1.925 20 30 CDEDLO C#CC[N@@H+](CC#CC)C[C@@H]1COc2ccccc2O1 ZINC000743854697 576658931 /nfs/dbraw/zinc/65/89/31/576658931.db2.gz JHPVAUNLLZMFKC-CQSZACIVSA-N 1 2 255.317 1.785 20 30 CDEDLO C#CC[N@H+](CC#CC)C[C@@H]1COc2ccccc2O1 ZINC000743854697 576658934 /nfs/dbraw/zinc/65/89/34/576658934.db2.gz JHPVAUNLLZMFKC-CQSZACIVSA-N 1 2 255.317 1.785 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000769978357 575405871 /nfs/dbraw/zinc/40/58/71/575405871.db2.gz XGVPQQDZYOZKCK-SECBINFHSA-N 1 2 272.308 1.161 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000769978357 575405872 /nfs/dbraw/zinc/40/58/72/575405872.db2.gz XGVPQQDZYOZKCK-SECBINFHSA-N 1 2 272.308 1.161 20 30 CDEDLO C(=[NH+]Nc1cccnn1)c1ccc(N2CCOCC2)cc1 ZINC000735973154 575543766 /nfs/dbraw/zinc/54/37/66/575543766.db2.gz AEGSFRQMOAEEHX-UHFFFAOYSA-N 1 2 283.335 1.759 20 30 CDEDLO C[S@@](=O)CC[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000771142909 575552818 /nfs/dbraw/zinc/55/28/18/575552818.db2.gz BRQVUYBBAQUMMF-HXUWFJFHSA-N 1 2 295.383 1.198 20 30 CDEDLO C#CCN(C(=O)c1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000764449731 575908453 /nfs/dbraw/zinc/90/84/53/575908453.db2.gz PUKNYBOGGGMWJF-UHFFFAOYSA-N 1 2 298.386 1.757 20 30 CDEDLO C[C@H]1C[N@H+](C)CC1=NNS(=O)(=O)c1ccc(F)cc1 ZINC000764729073 575939984 /nfs/dbraw/zinc/93/99/84/575939984.db2.gz NNTBOZSCAWNHSI-VIFPVBQESA-N 1 2 285.344 1.042 20 30 CDEDLO C[C@H]1C[N@@H+](C)CC1=NNS(=O)(=O)c1ccc(F)cc1 ZINC000764729073 575939986 /nfs/dbraw/zinc/93/99/86/575939986.db2.gz NNTBOZSCAWNHSI-VIFPVBQESA-N 1 2 285.344 1.042 20 30 CDEDLO C#CCCOC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000765463711 576026801 /nfs/dbraw/zinc/02/68/01/576026801.db2.gz FMLKEDICYWGDCR-MRXNPFEDSA-N 1 2 287.359 1.751 20 30 CDEDLO COC1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766611251 576115555 /nfs/dbraw/zinc/11/55/55/576115555.db2.gz HUHXVJAJHDFGKH-UHFFFAOYSA-N 1 2 287.363 1.277 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000766694507 576123027 /nfs/dbraw/zinc/12/30/27/576123027.db2.gz YFOSGJPCAUWWER-OLZOCXBDSA-N 1 2 272.352 1.001 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000766694507 576123030 /nfs/dbraw/zinc/12/30/30/576123030.db2.gz YFOSGJPCAUWWER-OLZOCXBDSA-N 1 2 272.352 1.001 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000766694507 576123031 /nfs/dbraw/zinc/12/30/31/576123031.db2.gz YFOSGJPCAUWWER-OLZOCXBDSA-N 1 2 272.352 1.001 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000766694507 576123033 /nfs/dbraw/zinc/12/30/33/576123033.db2.gz YFOSGJPCAUWWER-OLZOCXBDSA-N 1 2 272.352 1.001 20 30 CDEDLO Cc1cc(NC(=O)NCCNc2ccc(C#N)cn2)cc[nH+]1 ZINC000767896255 576236673 /nfs/dbraw/zinc/23/66/73/576236673.db2.gz ZDWSQHQQFZYKFB-UHFFFAOYSA-N 1 2 296.334 1.312 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C(N)=O)sc1C ZINC000769276098 576341867 /nfs/dbraw/zinc/34/18/67/576341867.db2.gz VUSKHKWXJCQKCZ-NSHDSACASA-N 1 2 291.376 1.192 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C(N)=O)sc1C ZINC000769276098 576341868 /nfs/dbraw/zinc/34/18/68/576341868.db2.gz VUSKHKWXJCQKCZ-NSHDSACASA-N 1 2 291.376 1.192 20 30 CDEDLO C=CCN1CC(=O)N(Cc2cn3ccccc3[nH+]2)C1=O ZINC000760951698 576528529 /nfs/dbraw/zinc/52/85/29/576528529.db2.gz MCMHSFRXQRESET-UHFFFAOYSA-N 1 2 270.292 1.285 20 30 CDEDLO C=CCCC(=O)COC(=O)[C@H]1CCCC[N@H+]1CC ZINC000761400823 576574218 /nfs/dbraw/zinc/57/42/18/576574218.db2.gz BJZZTXVRBCIFPQ-CYBMUJFWSA-N 1 2 253.342 1.939 20 30 CDEDLO C=CCCC(=O)COC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000761400823 576574220 /nfs/dbraw/zinc/57/42/20/576574220.db2.gz BJZZTXVRBCIFPQ-CYBMUJFWSA-N 1 2 253.342 1.939 20 30 CDEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)C1CCOCC1 ZINC000761831174 576596006 /nfs/dbraw/zinc/59/60/06/576596006.db2.gz NWBJHGPKCZZJQV-UHFFFAOYSA-N 1 2 286.339 1.877 20 30 CDEDLO CSCCCN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761835144 576596813 /nfs/dbraw/zinc/59/68/13/576596813.db2.gz MLTBMVLYCZAOMG-UHFFFAOYSA-N 1 2 262.342 1.813 20 30 CDEDLO COCCn1cc(C=NNc2cc[nH+]c3ccccc23)cn1 ZINC000743440068 576639874 /nfs/dbraw/zinc/63/98/74/576639874.db2.gz XPQTZRIEZHEOOF-UHFFFAOYSA-N 1 2 295.346 1.946 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)C(F)=C2CCCC2)CC1 ZINC000763015179 576700412 /nfs/dbraw/zinc/70/04/12/576700412.db2.gz HQYARKLWZBKOGV-UHFFFAOYSA-N 1 2 250.317 1.561 20 30 CDEDLO C#CC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000754014728 576873505 /nfs/dbraw/zinc/87/35/05/576873505.db2.gz MXSPLKMFYONNKY-CYBMUJFWSA-N 1 2 272.348 1.534 20 30 CDEDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)c1cccc(C#N)c1 ZINC000748291356 576904329 /nfs/dbraw/zinc/90/43/29/576904329.db2.gz RWXIQPQMLDSKCI-CQSZACIVSA-N 1 2 286.331 1.768 20 30 CDEDLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)c1cccc(C#N)c1 ZINC000748291356 576904331 /nfs/dbraw/zinc/90/43/31/576904331.db2.gz RWXIQPQMLDSKCI-CQSZACIVSA-N 1 2 286.331 1.768 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000749155546 576937023 /nfs/dbraw/zinc/93/70/23/576937023.db2.gz UZOYLAOGSLEQGG-UHFFFAOYSA-N 1 2 272.308 1.162 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000749155546 576937025 /nfs/dbraw/zinc/93/70/25/576937025.db2.gz UZOYLAOGSLEQGG-UHFFFAOYSA-N 1 2 272.308 1.162 20 30 CDEDLO CCn1cc(C[N@H+](C)Cn2ccc(C)c(C#N)c2=O)cn1 ZINC000758224695 577085442 /nfs/dbraw/zinc/08/54/42/577085442.db2.gz KTLLFZLPVHMPID-UHFFFAOYSA-N 1 2 285.351 1.334 20 30 CDEDLO CCn1cc(C[N@@H+](C)Cn2ccc(C)c(C#N)c2=O)cn1 ZINC000758224695 577085444 /nfs/dbraw/zinc/08/54/44/577085444.db2.gz KTLLFZLPVHMPID-UHFFFAOYSA-N 1 2 285.351 1.334 20 30 CDEDLO CCCNC(=S)N[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000758373691 577102794 /nfs/dbraw/zinc/10/27/94/577102794.db2.gz ZRQIRHMARGYSKM-UHFFFAOYSA-N 1 2 291.424 1.890 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2n[nH]c(C)c2C)C1 ZINC000949812640 612993418 /nfs/dbraw/zinc/99/34/18/612993418.db2.gz AGVJSTFHAZQLRV-UHFFFAOYSA-N 1 2 274.368 1.196 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C(C)(C)CC)CC2)C1 ZINC000949451228 613209911 /nfs/dbraw/zinc/20/99/11/613209911.db2.gz USHZKWNJTXMUKP-UHFFFAOYSA-N 1 2 292.423 1.749 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C(C)(C)CC)CC2)C1 ZINC000949451228 613209913 /nfs/dbraw/zinc/20/99/13/613209913.db2.gz USHZKWNJTXMUKP-UHFFFAOYSA-N 1 2 292.423 1.749 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2Cc3cccnc3C2)C1 ZINC000957328993 613295183 /nfs/dbraw/zinc/29/51/83/613295183.db2.gz OTUBVHYRDOWQMG-OAHLLOKOSA-N 1 2 299.418 1.905 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnn(C)c2Cl)C1 ZINC000950628097 613297432 /nfs/dbraw/zinc/29/74/32/613297432.db2.gz QVZWNCSCZAOGCO-UHFFFAOYSA-N 1 2 296.802 1.796 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cn3ccccc3n2)CC1 ZINC000957541145 613321180 /nfs/dbraw/zinc/32/11/80/613321180.db2.gz OWSJTSIPHOSBPK-UHFFFAOYSA-N 1 2 284.363 1.668 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cncc(CC)c2)CC1 ZINC000949308285 613321717 /nfs/dbraw/zinc/32/17/17/613321717.db2.gz SJHMOPDVBLFNOD-UHFFFAOYSA-N 1 2 273.380 1.978 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ncn(C(C)(C)C)n2)CC1 ZINC000950490783 613322239 /nfs/dbraw/zinc/32/22/39/613322239.db2.gz CUQZRQDESZGYDK-UHFFFAOYSA-N 1 2 291.399 1.367 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(C)ncn2)C1 ZINC000969487420 613371728 /nfs/dbraw/zinc/37/17/28/613371728.db2.gz OLNSCSUOLKQOJA-LLVKDONJSA-N 1 2 294.786 1.588 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2c[nH]nc2CC)C1 ZINC000970030400 613371827 /nfs/dbraw/zinc/37/18/27/613371827.db2.gz CXSGAIJVKWDYKX-SNVBAGLBSA-N 1 2 296.802 1.775 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2nocc2C)C1 ZINC000970703204 613372593 /nfs/dbraw/zinc/37/25/93/613372593.db2.gz QKYPHIIKSGWWOX-JTQLQIEISA-N 1 2 283.759 1.786 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cncnc2C)C1 ZINC000969342284 613372659 /nfs/dbraw/zinc/37/26/59/613372659.db2.gz DUCBYANKNCTRPX-JTQLQIEISA-N 1 2 294.786 1.588 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C)co2)C1 ZINC000958323778 613381225 /nfs/dbraw/zinc/38/12/25/613381225.db2.gz DKBOYPBAUDGQJE-NEPJUHHUSA-N 1 2 298.770 1.363 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C)co2)C1 ZINC000958323778 613381226 /nfs/dbraw/zinc/38/12/26/613381226.db2.gz DKBOYPBAUDGQJE-NEPJUHHUSA-N 1 2 298.770 1.363 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC[C@H]2C)CC1 ZINC000968188024 613410754 /nfs/dbraw/zinc/41/07/54/613410754.db2.gz ASBBBQFROBZPPG-TZMCWYRMSA-N 1 2 293.411 1.045 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC[C@H]2C)CC1 ZINC000968188024 613410755 /nfs/dbraw/zinc/41/07/55/613410755.db2.gz ASBBBQFROBZPPG-TZMCWYRMSA-N 1 2 293.411 1.045 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2ocnc2C)CC1 ZINC000980909221 613556848 /nfs/dbraw/zinc/55/68/48/613556848.db2.gz MXEZUJJJHLXCBI-UHFFFAOYSA-N 1 2 261.325 1.154 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2ocnc2C)CC1 ZINC000980909221 613556850 /nfs/dbraw/zinc/55/68/50/613556850.db2.gz MXEZUJJJHLXCBI-UHFFFAOYSA-N 1 2 261.325 1.154 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CC(=O)N[C@H](CC)C2)C1 ZINC000950961826 613654749 /nfs/dbraw/zinc/65/47/49/613654749.db2.gz VPKSXMNDSPIINC-CHWSQXEVSA-N 1 2 293.411 1.010 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2CCC[C@H](OC)C2)CC1 ZINC000948689822 613709019 /nfs/dbraw/zinc/70/90/19/613709019.db2.gz CJFGLSYRKUMVTK-CABCVRRESA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]2C(F)F)CC1 ZINC000948746418 613711316 /nfs/dbraw/zinc/71/13/16/613711316.db2.gz YTLYWIWVDWIOKD-VXGBXAGGSA-N 1 2 272.339 1.998 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)C[C@H]2CCCO2)CC1 ZINC000957845102 613712469 /nfs/dbraw/zinc/71/24/69/613712469.db2.gz AWHCFSNKVRGOJW-ZIAGYGMSSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2Cc3cccc(F)c3O2)CC1 ZINC000957715751 613713434 /nfs/dbraw/zinc/71/34/34/613713434.db2.gz SWDUYRNGHKJBNI-CQSZACIVSA-N 1 2 290.338 1.459 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(OC)ccn2)CC1 ZINC000949599105 613715297 /nfs/dbraw/zinc/71/52/97/613715297.db2.gz CZENJIPTKHMNOJ-UHFFFAOYSA-N 1 2 261.325 1.034 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(OC(C)C)nc2)CC1 ZINC000948637577 613716272 /nfs/dbraw/zinc/71/62/72/613716272.db2.gz GKPKNOHXHFLNHR-UHFFFAOYSA-N 1 2 289.379 1.813 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](C)CC3)CC1 ZINC000957493724 613718448 /nfs/dbraw/zinc/71/84/48/613718448.db2.gz VZAMMTOVTZDOQJ-ZDUSSCGKSA-N 1 2 288.395 1.409 20 30 CDEDLO CC1(C)CN(CC#N)C[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000974819559 614610182 /nfs/dbraw/zinc/61/01/82/614610182.db2.gz SKRQBHOIVLAXMR-CYBMUJFWSA-N 1 2 297.362 1.298 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1csc(CC)n1)[C@@H]1CCCO1 ZINC000775341289 617520159 /nfs/dbraw/zinc/52/01/59/617520159.db2.gz LIRYOFSAYIEDRC-NEPJUHHUSA-N 1 2 250.367 1.976 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000892225443 617563998 /nfs/dbraw/zinc/56/39/98/617563998.db2.gz BKNVQSXFFXFZIA-CQSZACIVSA-N 1 2 274.368 1.861 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891935229 617798735 /nfs/dbraw/zinc/79/87/35/617798735.db2.gz YMMSCCXNEWATME-GRYCIOLGSA-N 1 2 256.321 1.854 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891935229 617798737 /nfs/dbraw/zinc/79/87/37/617798737.db2.gz YMMSCCXNEWATME-GRYCIOLGSA-N 1 2 256.321 1.854 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000894310645 618587879 /nfs/dbraw/zinc/58/78/79/618587879.db2.gz VHZIQPYAZMALQY-CHWSQXEVSA-N 1 2 272.352 1.395 20 30 CDEDLO Cc1nc([C@@H]2CC[N@H+](Cc3cccc(C#N)n3)C2)n[nH]1 ZINC000895013328 619201425 /nfs/dbraw/zinc/20/14/25/619201425.db2.gz SHHCRPKNJDALMC-LLVKDONJSA-N 1 2 268.324 1.369 20 30 CDEDLO Cc1nc([C@@H]2CC[N@@H+](Cc3cccc(C#N)n3)C2)n[nH]1 ZINC000895013328 619201426 /nfs/dbraw/zinc/20/14/26/619201426.db2.gz SHHCRPKNJDALMC-LLVKDONJSA-N 1 2 268.324 1.369 20 30 CDEDLO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@@H]2CCCN(O)C2=O)o1 ZINC000895165479 619393934 /nfs/dbraw/zinc/39/39/34/619393934.db2.gz LCVUASTUUWOKCM-YUSALJHKSA-N 1 2 264.325 1.873 20 30 CDEDLO CC1CC[NH+](CC(=O)Nc2ncc(C#N)s2)CC1 ZINC000896484346 620114789 /nfs/dbraw/zinc/11/47/89/620114789.db2.gz FFNJDTNVEZQROV-UHFFFAOYSA-N 1 2 264.354 1.685 20 30 CDEDLO Cn1nncc1C(=O)/C=C/c1ncc(C[NH+](C)C)s1 ZINC000901510460 624311233 /nfs/dbraw/zinc/31/12/33/624311233.db2.gz DMMJDPLYTQDVRH-SNAWJCMRSA-N 1 2 277.353 1.229 20 30 CDEDLO CCn1c[nH+]cc1/C=C\C(=O)c1cc2n(n1)CCC2 ZINC000901560110 624336840 /nfs/dbraw/zinc/33/68/40/624336840.db2.gz GENBZRZVGXHCEW-WAYWQWQTSA-N 1 2 256.309 1.942 20 30 CDEDLO F[C@H]1CCCN(CC#CC[N@@H+]2CCC[C@H](F)C2)C1 ZINC000902993268 625739455 /nfs/dbraw/zinc/73/94/55/625739455.db2.gz RPDQVAUBNQCODN-KBPBESRZSA-N 1 2 256.340 1.858 20 30 CDEDLO F[C@H]1CCCN(CC#CC[N@H+]2CCC[C@H](F)C2)C1 ZINC000902993268 625739481 /nfs/dbraw/zinc/73/94/81/625739481.db2.gz RPDQVAUBNQCODN-KBPBESRZSA-N 1 2 256.340 1.858 20 30 CDEDLO C=C[C@H]1CCCC[N@H+]1Cc1cn(-c2ccn(C)n2)nn1 ZINC000906298783 627179818 /nfs/dbraw/zinc/17/98/18/627179818.db2.gz NDOPQJLKTORXRZ-ZDUSSCGKSA-N 1 2 272.356 1.541 20 30 CDEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cn(-c2ccn(C)n2)nn1 ZINC000906298783 627179820 /nfs/dbraw/zinc/17/98/20/627179820.db2.gz NDOPQJLKTORXRZ-ZDUSSCGKSA-N 1 2 272.356 1.541 20 30 CDEDLO CN(C)c1ncc(C=[NH+]Nc2ccnc(F)c2)cn1 ZINC000814901976 630626343 /nfs/dbraw/zinc/62/63/43/630626343.db2.gz CWAWUBQMAYQBSJ-UHFFFAOYSA-N 1 2 260.276 1.523 20 30 CDEDLO C=CCn1nnn(C[N@H+](CC)CC(C)C)c1=S ZINC000919939496 632698616 /nfs/dbraw/zinc/69/86/16/632698616.db2.gz WWWVIVPCJGPFLQ-UHFFFAOYSA-N 1 2 255.391 1.930 20 30 CDEDLO C=CCn1nnn(C[N@@H+](CC)CC(C)C)c1=S ZINC000919939496 632698623 /nfs/dbraw/zinc/69/86/23/632698623.db2.gz WWWVIVPCJGPFLQ-UHFFFAOYSA-N 1 2 255.391 1.930 20 30 CDEDLO COC(=O)Cc1ccc(NCC(C)(C)S)[nH+]c1 ZINC001170302378 1162329114 /nfs/dbraw/zinc/32/91/14/1162329114.db2.gz IFRVACSWMLCQFN-UHFFFAOYSA-N 1 2 254.355 1.917 20 30 CDEDLO C#CCNC(=O)c1ccccc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000793233416 1162403007 /nfs/dbraw/zinc/40/30/07/1162403007.db2.gz SUBWIVGBBPKNHO-UHFFFAOYSA-N 1 2 296.330 1.344 20 30 CDEDLO C#CCNC(=O)c1ccccc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000793233416 1162403010 /nfs/dbraw/zinc/40/30/10/1162403010.db2.gz SUBWIVGBBPKNHO-UHFFFAOYSA-N 1 2 296.330 1.344 20 30 CDEDLO C[C@@H](CC(=O)Nc1cccc(C#N)n1)n1cc[nH+]c1 ZINC001130116239 1162543921 /nfs/dbraw/zinc/54/39/21/1162543921.db2.gz JZWJESFWEIHSIJ-JTQLQIEISA-N 1 2 255.281 1.740 20 30 CDEDLO Cc1cccnc1C[N@H+]1CC[C@@H]1CNC(=O)C#CC(C)C ZINC001754483798 1159234646 /nfs/dbraw/zinc/23/46/46/1159234646.db2.gz OOLZJRVGHGPVDD-OAHLLOKOSA-N 1 2 285.391 1.740 20 30 CDEDLO Cc1cccnc1C[N@@H+]1CC[C@@H]1CNC(=O)C#CC(C)C ZINC001754483798 1159234648 /nfs/dbraw/zinc/23/46/48/1159234648.db2.gz OOLZJRVGHGPVDD-OAHLLOKOSA-N 1 2 285.391 1.740 20 30 CDEDLO CCOC(=O)c1cnc(NCCCn2cc[nH+]c2)c(C#N)c1 ZINC001161684719 1160180776 /nfs/dbraw/zinc/18/07/76/1160180776.db2.gz KUVSSECUGJWRBT-UHFFFAOYSA-N 1 2 299.334 1.829 20 30 CDEDLO N#Cc1cc(Cl)nc(N[C@@H]2CCC[N@@H+](C3COC3)C2)n1 ZINC001168367074 1160786994 /nfs/dbraw/zinc/78/69/94/1160786994.db2.gz IVKLWIIBNPAOPI-SECBINFHSA-N 1 2 293.758 1.277 20 30 CDEDLO N#Cc1cc(Cl)nc(N[C@@H]2CCC[N@H+](C3COC3)C2)n1 ZINC001168367074 1160786997 /nfs/dbraw/zinc/78/69/97/1160786997.db2.gz IVKLWIIBNPAOPI-SECBINFHSA-N 1 2 293.758 1.277 20 30 CDEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001109272894 1162029550 /nfs/dbraw/zinc/02/95/50/1162029550.db2.gz QLRWCGKMWQGOGJ-RDBSUJKOSA-N 1 2 296.798 1.500 20 30 CDEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001109272894 1162029555 /nfs/dbraw/zinc/02/95/55/1162029555.db2.gz QLRWCGKMWQGOGJ-RDBSUJKOSA-N 1 2 296.798 1.500 20 30 CDEDLO C=C1CC(C)(C(=O)N2CC[NH+](CCOCC3CC3)CC2)C1 ZINC001113325198 1162157003 /nfs/dbraw/zinc/15/70/03/1162157003.db2.gz YNDZUVWGACDMET-UHFFFAOYSA-N 1 2 292.423 1.914 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCN(C)c2ccccc2)CC1 ZINC001113440825 1162175840 /nfs/dbraw/zinc/17/58/40/1162175840.db2.gz RIMAQQHNFMGXOY-UHFFFAOYSA-N 1 2 287.407 1.843 20 30 CDEDLO CCc1[nH]c(CNc2c(C#N)cccc2-c2nn[nH]n2)c[nH+]1 ZINC001604557605 1163229090 /nfs/dbraw/zinc/22/90/90/1163229090.db2.gz OYKILKIMYWWCJQ-UHFFFAOYSA-N 1 2 294.322 1.636 20 30 CDEDLO CCc1[nH]cc(CNc2c(C#N)cccc2-c2nn[nH]n2)[nH+]1 ZINC001604557605 1163229094 /nfs/dbraw/zinc/22/90/94/1163229094.db2.gz OYKILKIMYWWCJQ-UHFFFAOYSA-N 1 2 294.322 1.636 20 30 CDEDLO C#CCCCCCC(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001132404310 1163270683 /nfs/dbraw/zinc/27/06/83/1163270683.db2.gz ZTQUXIIZGFCKNN-LBPRGKRZSA-N 1 2 292.383 1.729 20 30 CDEDLO C#CCN(C)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000812072455 1163580281 /nfs/dbraw/zinc/58/02/81/1163580281.db2.gz ZALDTAIZUCLCAV-HNNXBMFYSA-N 1 2 296.374 1.979 20 30 CDEDLO C=CCC[C@@H](O)C[NH2+]Cc1noc(C(F)(F)F)n1 ZINC001252615198 1164654466 /nfs/dbraw/zinc/65/44/66/1164654466.db2.gz XCNREHBPJZMEEQ-SSDOTTSWSA-N 1 2 265.235 1.505 20 30 CDEDLO Cc1[nH]c(CNC(=O)c2cccc(C#N)n2)[nH+]c1C ZINC001621994972 1165713057 /nfs/dbraw/zinc/71/30/57/1165713057.db2.gz BJLGTUOGHYQHRF-UHFFFAOYSA-N 1 2 255.281 1.223 20 30 CDEDLO C[C@H](CNC(=O)c1ccc(C#N)cc1F)Cn1cc[nH+]c1 ZINC001646582320 1167940529 /nfs/dbraw/zinc/94/05/29/1167940529.db2.gz VGIVFDXTXDGRNF-LLVKDONJSA-N 1 2 286.310 1.960 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1CC[C@@H]1CCc2ccccc21 ZINC001580045240 1172331901 /nfs/dbraw/zinc/33/19/01/1172331901.db2.gz RAIPZGLNFHLLTG-GJZGRUSLSA-N 1 2 255.365 1.904 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(C#N)cc1F ZINC001587351194 1172984087 /nfs/dbraw/zinc/98/40/87/1172984087.db2.gz KTZWPSIBNJLWLO-UHFFFAOYSA-N 1 2 258.256 1.659 20 30 CDEDLO C=CC[N@@H+](C)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC001602847318 1175431846 /nfs/dbraw/zinc/43/18/46/1175431846.db2.gz PSLWWFJUWIQDQH-UHFFFAOYSA-N 1 2 297.322 1.535 20 30 CDEDLO C=CC[N@H+](C)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC001602847318 1175431850 /nfs/dbraw/zinc/43/18/50/1175431850.db2.gz PSLWWFJUWIQDQH-UHFFFAOYSA-N 1 2 297.322 1.535 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)COC)C1 ZINC001732153861 1182811885 /nfs/dbraw/zinc/81/18/85/1182811885.db2.gz HGVSIBFXFHVXFN-GXSJLCMTSA-N 1 2 260.765 1.212 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)COC)C1 ZINC001732153861 1182811890 /nfs/dbraw/zinc/81/18/90/1182811890.db2.gz HGVSIBFXFHVXFN-GXSJLCMTSA-N 1 2 260.765 1.212 20 30 CDEDLO CCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001733200991 1183327095 /nfs/dbraw/zinc/32/70/95/1183327095.db2.gz RWGXQGXTACFQLQ-SNVBAGLBSA-N 1 2 263.366 1.720 20 30 CDEDLO CCC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001733200991 1183327100 /nfs/dbraw/zinc/32/71/00/1183327100.db2.gz RWGXQGXTACFQLQ-SNVBAGLBSA-N 1 2 263.366 1.720 20 30 CDEDLO C=CCCC[NH+]1CC(NC(=O)c2cc(OC)no2)C1 ZINC001753374871 1184473985 /nfs/dbraw/zinc/47/39/85/1184473985.db2.gz SJSLMTCWBWSEAJ-UHFFFAOYSA-N 1 2 265.313 1.063 20 30 CDEDLO CC#CCN1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]2C(C)C)CC1 ZINC001752374310 1184854470 /nfs/dbraw/zinc/85/44/70/1184854470.db2.gz DAOTYNPMFQWANO-HZPDHXFCSA-N 1 2 291.439 1.036 20 30 CDEDLO C[N@H+](CCNC(=O)C#CC(C)(C)C)Cc1cncs1 ZINC001753049267 1185018107 /nfs/dbraw/zinc/01/81/07/1185018107.db2.gz WZAIEBLTWUEALJ-UHFFFAOYSA-N 1 2 279.409 1.741 20 30 CDEDLO C[N@@H+](CCNC(=O)C#CC(C)(C)C)Cc1cncs1 ZINC001753049267 1185018115 /nfs/dbraw/zinc/01/81/15/1185018115.db2.gz WZAIEBLTWUEALJ-UHFFFAOYSA-N 1 2 279.409 1.741 20 30 CDEDLO C#CC[N@H+](CC)CCNC(=O)c1[nH]nc2c1CCCCC2 ZINC001753094886 1185056929 /nfs/dbraw/zinc/05/69/29/1185056929.db2.gz RFXLMLZKMVRCGF-UHFFFAOYSA-N 1 2 288.395 1.364 20 30 CDEDLO C#CC[N@@H+](CC)CCNC(=O)c1[nH]nc2c1CCCCC2 ZINC001753094886 1185056932 /nfs/dbraw/zinc/05/69/32/1185056932.db2.gz RFXLMLZKMVRCGF-UHFFFAOYSA-N 1 2 288.395 1.364 20 30 CDEDLO C=CCCCC(=O)N[C@H](C)C[N@H+](C)Cc1cnnn1C ZINC001754323763 1185578146 /nfs/dbraw/zinc/57/81/46/1185578146.db2.gz MGVPUYUNEHGPML-GFCCVEGCSA-N 1 2 279.388 1.108 20 30 CDEDLO C=CCCCC(=O)N[C@H](C)C[N@@H+](C)Cc1cnnn1C ZINC001754323763 1185578151 /nfs/dbraw/zinc/57/81/51/1185578151.db2.gz MGVPUYUNEHGPML-GFCCVEGCSA-N 1 2 279.388 1.108 20 30 CDEDLO CC[C@@H](F)C[N@@H+]1CC[C@H]1CNC(=O)CSCC#N ZINC001754473414 1185624612 /nfs/dbraw/zinc/62/46/12/1185624612.db2.gz JXXGOUWOYNDYMG-MNOVXSKESA-N 1 2 273.377 1.182 20 30 CDEDLO CC[C@@H](F)C[N@H+]1CC[C@H]1CNC(=O)CSCC#N ZINC001754473414 1185624615 /nfs/dbraw/zinc/62/46/15/1185624615.db2.gz JXXGOUWOYNDYMG-MNOVXSKESA-N 1 2 273.377 1.182 20 30 CDEDLO C=CCOCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC#CC ZINC001754549999 1185664764 /nfs/dbraw/zinc/66/47/64/1185664764.db2.gz CMNSPFLANGVQJF-GASCZTMLSA-N 1 2 276.380 1.278 20 30 CDEDLO C=CCOCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC#CC ZINC001754549999 1185664767 /nfs/dbraw/zinc/66/47/67/1185664767.db2.gz CMNSPFLANGVQJF-GASCZTMLSA-N 1 2 276.380 1.278 20 30 CDEDLO C=CCCC(=O)N1CCOC2(C[NH+](CCC)C2)C1 ZINC001755049605 1185799009 /nfs/dbraw/zinc/79/90/09/1185799009.db2.gz XNLREJCOGQMTOF-UHFFFAOYSA-N 1 2 252.358 1.276 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)COCCCC)CO2 ZINC001755058225 1185800654 /nfs/dbraw/zinc/80/06/54/1185800654.db2.gz DTHUMPQEZBCJTJ-AWEZNQCLSA-N 1 2 296.411 1.339 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C#CC(C)C)CO2 ZINC001755061441 1185804477 /nfs/dbraw/zinc/80/44/77/1185804477.db2.gz KKYDSHRWCVOGKD-AWEZNQCLSA-N 1 2 276.380 1.181 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ncc[nH]2)C1 ZINC001033828323 754240073 /nfs/dbraw/zinc/24/00/73/754240073.db2.gz CGTRMCLXGIJPBF-NSHDSACASA-N 1 2 282.775 1.699 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ncc[nH]2)C1 ZINC001033828323 754240080 /nfs/dbraw/zinc/24/00/80/754240080.db2.gz CGTRMCLXGIJPBF-NSHDSACASA-N 1 2 282.775 1.699 20 30 CDEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(Cl)c2)C1 ZINC001047553263 755063708 /nfs/dbraw/zinc/06/37/08/755063708.db2.gz WGRYZZUDDKMLGW-QWRGUYRKSA-N 1 2 298.795 1.152 20 30 CDEDLO C=C(Br)COC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000805478588 755404771 /nfs/dbraw/zinc/40/47/71/755404771.db2.gz GRTBIMMXEJYZSX-SECBINFHSA-N 1 2 278.146 1.159 20 30 CDEDLO C=C(Br)COC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000805478588 755404773 /nfs/dbraw/zinc/40/47/73/755404773.db2.gz GRTBIMMXEJYZSX-SECBINFHSA-N 1 2 278.146 1.159 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)c2cccnc2)C1 ZINC001031273747 755854600 /nfs/dbraw/zinc/85/46/00/755854600.db2.gz FMRGRQKNLYIYMV-LBPRGKRZSA-N 1 2 259.353 1.562 20 30 CDEDLO C=C(C)CONC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000845596506 755879450 /nfs/dbraw/zinc/87/94/50/755879450.db2.gz XDQFCTWRCJKLDK-NSHDSACASA-N 1 2 264.329 1.806 20 30 CDEDLO COCc1cc(C[NH2+]Cc2ccc(C#N)cc2)no1 ZINC000882896468 753864554 /nfs/dbraw/zinc/86/45/54/753864554.db2.gz IVZNVAGEOKAJJB-UHFFFAOYSA-N 1 2 257.293 1.982 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(C(C)C)nn2C)C1 ZINC001031189132 753871629 /nfs/dbraw/zinc/87/16/29/753871629.db2.gz RIVMJTIAXHEROM-UHFFFAOYSA-N 1 2 276.384 1.534 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCOCC1 ZINC001032379291 753877260 /nfs/dbraw/zinc/87/72/60/753877260.db2.gz LYPRBMCHOYWLEN-KKUMJFAQSA-N 1 2 276.380 1.112 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCOCC1 ZINC001032379291 753877261 /nfs/dbraw/zinc/87/72/61/753877261.db2.gz LYPRBMCHOYWLEN-KKUMJFAQSA-N 1 2 276.380 1.112 20 30 CDEDLO C=C(Br)C[N@H+]1CCC[C@@H](NC(C)=O)[C@@H]1C ZINC000992927717 753882571 /nfs/dbraw/zinc/88/25/71/753882571.db2.gz XUZFQDYOZNZMHW-GXSJLCMTSA-N 1 2 275.190 1.884 20 30 CDEDLO C=C(Br)C[N@@H+]1CCC[C@@H](NC(C)=O)[C@@H]1C ZINC000992927717 753882573 /nfs/dbraw/zinc/88/25/73/753882573.db2.gz XUZFQDYOZNZMHW-GXSJLCMTSA-N 1 2 275.190 1.884 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)C1(C#N)CCCCC1 ZINC000928638291 753933572 /nfs/dbraw/zinc/93/35/72/753933572.db2.gz GLIDMMBPDUZZER-AWEZNQCLSA-N 1 2 293.411 1.687 20 30 CDEDLO COCCN(C)N=C1CCN(c2cccc[nH+]2)CC1 ZINC000794970220 753952697 /nfs/dbraw/zinc/95/26/97/753952697.db2.gz MJQLNABVSOVCQK-UHFFFAOYSA-N 1 2 262.357 1.616 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2conc2CC)C1 ZINC000923552922 753978149 /nfs/dbraw/zinc/97/81/49/753978149.db2.gz FRYOSYORLKOYPI-NSHDSACASA-N 1 2 261.325 1.064 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2conc2CC)C1 ZINC000923552922 753978155 /nfs/dbraw/zinc/97/81/55/753978155.db2.gz FRYOSYORLKOYPI-NSHDSACASA-N 1 2 261.325 1.064 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2CCC3(CCC3)CO2)C1 ZINC001031293818 754029688 /nfs/dbraw/zinc/02/96/88/754029688.db2.gz PVHUTEIGRFVJOW-CQSZACIVSA-N 1 2 278.396 1.712 20 30 CDEDLO C=CCN1CCN(C[N@H+](C)CCCn2ccnc2C)C1=O ZINC000840033074 754087506 /nfs/dbraw/zinc/08/75/06/754087506.db2.gz UVJVACDESPSRNA-UHFFFAOYSA-N 1 2 291.399 1.395 20 30 CDEDLO C=CCN1CCN(C[N@@H+](C)CCCn2ccnc2C)C1=O ZINC000840033074 754087514 /nfs/dbraw/zinc/08/75/14/754087514.db2.gz UVJVACDESPSRNA-UHFFFAOYSA-N 1 2 291.399 1.395 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001035478985 754129420 /nfs/dbraw/zinc/12/94/20/754129420.db2.gz SQHSZSPVDRCENK-DGAVXFQQSA-N 1 2 264.369 1.036 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001035478985 754129429 /nfs/dbraw/zinc/12/94/29/754129429.db2.gz SQHSZSPVDRCENK-DGAVXFQQSA-N 1 2 264.369 1.036 20 30 CDEDLO CNC(=S)N[NH+]=Cc1ccc(N(C)C(C)C)nc1 ZINC000790141474 754138677 /nfs/dbraw/zinc/13/86/77/754138677.db2.gz IVEMIXKBWVRRCP-UHFFFAOYSA-N 1 2 265.386 1.354 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc(C2CC2)no1 ZINC001032440454 754141469 /nfs/dbraw/zinc/14/14/69/754141469.db2.gz JVGDTUPSLNZJMB-KBPBESRZSA-N 1 2 299.374 1.403 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc(C2CC2)no1 ZINC001032440454 754141477 /nfs/dbraw/zinc/14/14/77/754141477.db2.gz JVGDTUPSLNZJMB-KBPBESRZSA-N 1 2 299.374 1.403 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2n[nH]c3ccc(C)cc32)C1 ZINC001043216416 754150872 /nfs/dbraw/zinc/15/08/72/754150872.db2.gz AMDVDXSGNBCXGN-UHFFFAOYSA-N 1 2 296.374 1.651 20 30 CDEDLO C=CCC1(NC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CCCC1 ZINC000853607404 754152780 /nfs/dbraw/zinc/15/27/80/754152780.db2.gz YULRUWVASXKASZ-AWEZNQCLSA-N 1 2 295.427 1.895 20 30 CDEDLO C=CCC1(NC(=O)NCC[N@H+]2CCO[C@@H](C)C2)CCCC1 ZINC000853607404 754152785 /nfs/dbraw/zinc/15/27/85/754152785.db2.gz YULRUWVASXKASZ-AWEZNQCLSA-N 1 2 295.427 1.895 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cnccn3)cc2C1 ZINC001054254252 754164695 /nfs/dbraw/zinc/16/46/95/754164695.db2.gz SECGWWKOOCCPQI-UHFFFAOYSA-N 1 2 292.342 1.355 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cnccn3)cc2C1 ZINC001054254252 754164703 /nfs/dbraw/zinc/16/47/03/754164703.db2.gz SECGWWKOOCCPQI-UHFFFAOYSA-N 1 2 292.342 1.355 20 30 CDEDLO C#CC[C@H]([NH2+]Cc1nccc(N)n1)c1ccccc1 ZINC000775400079 754178229 /nfs/dbraw/zinc/17/82/29/754178229.db2.gz WQCKJFHCYCRZCF-ZDUSSCGKSA-N 1 2 252.321 1.913 20 30 CDEDLO C#CCOCCNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000783694467 754201908 /nfs/dbraw/zinc/20/19/08/754201908.db2.gz ZLBKOFREDYGMRF-UHFFFAOYSA-N 1 2 293.330 1.877 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCc3ccccc3O2)C1 ZINC001031121805 754219661 /nfs/dbraw/zinc/21/96/61/754219661.db2.gz NDVOVGJACDBVPX-INIZCTEOSA-N 1 2 284.359 1.204 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCCO[C@H](C)C#N)ccc1F ZINC000802727790 754246846 /nfs/dbraw/zinc/24/68/46/754246846.db2.gz BTXNZFTYAKFREN-SNVBAGLBSA-N 1 2 265.288 1.700 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@@H](C)CO3)cc2C1 ZINC001054274515 754283288 /nfs/dbraw/zinc/28/32/88/754283288.db2.gz IJAAWPFRFWACJZ-CXAGYDPISA-N 1 2 298.386 1.677 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@@H](C)CO3)cc2C1 ZINC001054274515 754283299 /nfs/dbraw/zinc/28/32/99/754283299.db2.gz IJAAWPFRFWACJZ-CXAGYDPISA-N 1 2 298.386 1.677 20 30 CDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C#CC(C)(C)C ZINC000837631713 754309266 /nfs/dbraw/zinc/30/92/66/754309266.db2.gz XKHUUBLSXXUEOD-KBPBESRZSA-N 1 2 278.396 1.358 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccsc2)C1 ZINC001035279648 754316595 /nfs/dbraw/zinc/31/65/95/754316595.db2.gz NYJVDFQYEQUFNH-CYBMUJFWSA-N 1 2 280.393 1.755 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccsc2)C1 ZINC001035279648 754316600 /nfs/dbraw/zinc/31/66/00/754316600.db2.gz NYJVDFQYEQUFNH-CYBMUJFWSA-N 1 2 280.393 1.755 20 30 CDEDLO C#CCOc1ccc(C(=O)NCCn2cc[nH+]c2)cc1 ZINC000130899212 754363341 /nfs/dbraw/zinc/36/33/41/754363341.db2.gz IGNNPECQWZKCNG-UHFFFAOYSA-N 1 2 269.304 1.325 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(F)c2O)C1 ZINC000829583307 754434017 /nfs/dbraw/zinc/43/40/17/754434017.db2.gz YUUOXNGWLJUVAX-LLVKDONJSA-N 1 2 276.311 1.359 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(F)c2O)C1 ZINC000829583307 754434023 /nfs/dbraw/zinc/43/40/23/754434023.db2.gz YUUOXNGWLJUVAX-LLVKDONJSA-N 1 2 276.311 1.359 20 30 CDEDLO C=CC[N@@H+](CC(=O)OCC)C[C@@](C)(OC)C1CC1 ZINC000876609625 754444652 /nfs/dbraw/zinc/44/46/52/754444652.db2.gz QLBFGWMQCCWIFN-CQSZACIVSA-N 1 2 255.358 1.853 20 30 CDEDLO C=CC[N@H+](CC(=O)OCC)C[C@@](C)(OC)C1CC1 ZINC000876609625 754444664 /nfs/dbraw/zinc/44/46/64/754444664.db2.gz QLBFGWMQCCWIFN-CQSZACIVSA-N 1 2 255.358 1.853 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ncccc2C)C1 ZINC001042592401 754565429 /nfs/dbraw/zinc/56/54/29/754565429.db2.gz ICKODEOSICMLCO-UHFFFAOYSA-N 1 2 257.337 1.170 20 30 CDEDLO Cn1ncc(C=[NH+]NC(=S)NC2CCCCC2)c1N ZINC000814716112 754620417 /nfs/dbraw/zinc/62/04/17/754620417.db2.gz YVZLWFQZCKLLKL-UHFFFAOYSA-N 1 2 280.401 1.133 20 30 CDEDLO C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001046313119 754644773 /nfs/dbraw/zinc/64/47/73/754644773.db2.gz PLEMCCJATIRRAF-BLLLJJGKSA-N 1 2 288.395 1.596 20 30 CDEDLO C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001046313119 754644782 /nfs/dbraw/zinc/64/47/82/754644782.db2.gz PLEMCCJATIRRAF-BLLLJJGKSA-N 1 2 288.395 1.596 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn(C(C)C)c2)C1 ZINC001044175495 754662543 /nfs/dbraw/zinc/66/25/43/754662543.db2.gz CIHXJGFFEHGLLC-UHFFFAOYSA-N 1 2 274.368 1.244 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccn(C)n1 ZINC001028318631 754664327 /nfs/dbraw/zinc/66/43/27/754664327.db2.gz AXPHCOXGPHGUTH-NSHDSACASA-N 1 2 282.775 1.367 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccn(C)n1 ZINC001028318631 754664329 /nfs/dbraw/zinc/66/43/29/754664329.db2.gz AXPHCOXGPHGUTH-NSHDSACASA-N 1 2 282.775 1.367 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)onc1C1CC1 ZINC001032524518 754672036 /nfs/dbraw/zinc/67/20/36/754672036.db2.gz FREWJFJDEBSKOS-KBPBESRZSA-N 1 2 299.374 1.782 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)onc1C1CC1 ZINC001032524518 754672038 /nfs/dbraw/zinc/67/20/38/754672038.db2.gz FREWJFJDEBSKOS-KBPBESRZSA-N 1 2 299.374 1.782 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cn2c(C)cc3ccccc32)C1 ZINC001030636368 754673672 /nfs/dbraw/zinc/67/36/72/754673672.db2.gz KELLZWIVGRLCEH-UHFFFAOYSA-N 1 2 295.386 1.773 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cn2ncc3cc(C)cnc32)C1 ZINC001030686066 754724829 /nfs/dbraw/zinc/72/48/29/754724829.db2.gz OBQJVFUGWRFXHK-UHFFFAOYSA-N 1 2 299.378 1.116 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2snnc2C)[C@@H]1C ZINC000993053294 754750400 /nfs/dbraw/zinc/75/04/00/754750400.db2.gz VPZXLMYXYDUFER-QWRGUYRKSA-N 1 2 278.381 1.062 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2snnc2C)[C@@H]1C ZINC000993053294 754750410 /nfs/dbraw/zinc/75/04/10/754750410.db2.gz VPZXLMYXYDUFER-QWRGUYRKSA-N 1 2 278.381 1.062 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1occ2c1CCCC2 ZINC001038957369 754765905 /nfs/dbraw/zinc/76/59/05/754765905.db2.gz HNTUJRZMGYBCCX-ZDUSSCGKSA-N 1 2 272.348 1.596 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1occ2c1CCCC2 ZINC001038957369 754765912 /nfs/dbraw/zinc/76/59/12/754765912.db2.gz HNTUJRZMGYBCCX-ZDUSSCGKSA-N 1 2 272.348 1.596 20 30 CDEDLO C=C(C)CNC(=S)NCCNc1cccc[nH+]1 ZINC000061172568 754792028 /nfs/dbraw/zinc/79/20/28/754792028.db2.gz BSGIZTDGHFINDS-UHFFFAOYSA-N 1 2 250.371 1.534 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001007266580 754807609 /nfs/dbraw/zinc/80/76/09/754807609.db2.gz FXMRVQHDKDPUMO-NSHDSACASA-N 1 2 298.774 1.254 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001007266580 754807614 /nfs/dbraw/zinc/80/76/14/754807614.db2.gz FXMRVQHDKDPUMO-NSHDSACASA-N 1 2 298.774 1.254 20 30 CDEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCCC(C)(C)C#N)C1 ZINC000805475071 754809356 /nfs/dbraw/zinc/80/93/56/754809356.db2.gz WLZRUBZBXUFQIG-LLVKDONJSA-N 1 2 254.330 1.190 20 30 CDEDLO CC[N@H+]1CCO[C@@H](C(=O)OCCC(C)(C)C#N)C1 ZINC000805475071 754809358 /nfs/dbraw/zinc/80/93/58/754809358.db2.gz WLZRUBZBXUFQIG-LLVKDONJSA-N 1 2 254.330 1.190 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)C1 ZINC001030853233 754812982 /nfs/dbraw/zinc/81/29/82/754812982.db2.gz UTODEFGOZSXNFD-WDEREUQCSA-N 1 2 288.313 1.789 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](Cn2cnc(-c3ccccn3)n2)C1 ZINC000853523891 754820699 /nfs/dbraw/zinc/82/06/99/754820699.db2.gz IIZMEXIDEWFPAS-CYBMUJFWSA-N 1 2 282.351 1.923 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](Cn2cnc(-c3ccccn3)n2)C1 ZINC000853523891 754820700 /nfs/dbraw/zinc/82/07/00/754820700.db2.gz IIZMEXIDEWFPAS-CYBMUJFWSA-N 1 2 282.351 1.923 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c[nH]c(=O)c2ccccc12 ZINC001038772493 754822656 /nfs/dbraw/zinc/82/26/56/754822656.db2.gz KUVIQEGAYHXJCK-LBPRGKRZSA-N 1 2 295.342 1.378 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]c(=O)c2ccccc12 ZINC001038772493 754822661 /nfs/dbraw/zinc/82/26/61/754822661.db2.gz KUVIQEGAYHXJCK-LBPRGKRZSA-N 1 2 295.342 1.378 20 30 CDEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)no1 ZINC001017494648 754836654 /nfs/dbraw/zinc/83/66/54/754836654.db2.gz QOAIPASWLZZCEL-TXEJJXNPSA-N 1 2 291.351 1.548 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)no1 ZINC001017494648 754836659 /nfs/dbraw/zinc/83/66/59/754836659.db2.gz QOAIPASWLZZCEL-TXEJJXNPSA-N 1 2 291.351 1.548 20 30 CDEDLO C[C@@H]1CC[N@H+](Cn2nc(CC#N)n(C)c2=S)[C@H]1C ZINC000794632799 754853021 /nfs/dbraw/zinc/85/30/21/754853021.db2.gz SGEUKKTYRXHEBX-ZJUUUORDSA-N 1 2 265.386 1.705 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cn2nc(CC#N)n(C)c2=S)[C@H]1C ZINC000794632799 754853027 /nfs/dbraw/zinc/85/30/27/754853027.db2.gz SGEUKKTYRXHEBX-ZJUUUORDSA-N 1 2 265.386 1.705 20 30 CDEDLO N#CC[C@@H](O)C[N@@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000930542134 754855930 /nfs/dbraw/zinc/85/59/30/754855930.db2.gz SFUVKAOHFCMTNT-CYBMUJFWSA-N 1 2 291.326 1.164 20 30 CDEDLO N#CC[C@@H](O)C[N@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000930542134 754855932 /nfs/dbraw/zinc/85/59/32/754855932.db2.gz SFUVKAOHFCMTNT-CYBMUJFWSA-N 1 2 291.326 1.164 20 30 CDEDLO C#CC[C@H]([NH2+]C1CCN(c2nccs2)CC1)C(=O)OC ZINC000839168883 754856096 /nfs/dbraw/zinc/85/60/96/754856096.db2.gz OAISVEFPVDFHBB-LBPRGKRZSA-N 1 2 293.392 1.266 20 30 CDEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C2(CC)CC2)CC1 ZINC001070996133 754882815 /nfs/dbraw/zinc/88/28/15/754882815.db2.gz IWNFOOWVNJWZAW-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C2(CC)CC2)CC1 ZINC001070996133 754882823 /nfs/dbraw/zinc/88/28/23/754882823.db2.gz IWNFOOWVNJWZAW-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@](O)(CC#N)C2)cc(Cl)n1 ZINC000830007152 754901271 /nfs/dbraw/zinc/90/12/71/754901271.db2.gz SVVRTMGJSPVCLQ-CYBMUJFWSA-N 1 2 265.744 1.894 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@](O)(CC#N)C2)cc(Cl)n1 ZINC000830007152 754901276 /nfs/dbraw/zinc/90/12/76/754901276.db2.gz SVVRTMGJSPVCLQ-CYBMUJFWSA-N 1 2 265.744 1.894 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccccc1)O2 ZINC001053562834 754904688 /nfs/dbraw/zinc/90/46/88/754904688.db2.gz ITGZENRXOXEUIR-HNNXBMFYSA-N 1 2 286.375 1.836 20 30 CDEDLO CCCC[C@H]1NC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853523963 754936212 /nfs/dbraw/zinc/93/62/12/754936212.db2.gz JWEJXYJERYLJIR-QWHCGFSZSA-N 1 2 292.383 1.680 20 30 CDEDLO CCCC[C@H]1NC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853523963 754936220 /nfs/dbraw/zinc/93/62/20/754936220.db2.gz JWEJXYJERYLJIR-QWHCGFSZSA-N 1 2 292.383 1.680 20 30 CDEDLO Cc1cnc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)cn1 ZINC000877745127 754946905 /nfs/dbraw/zinc/94/69/05/754946905.db2.gz GQGMJNXEBIXOOA-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(OC)c1 ZINC001018238141 754948011 /nfs/dbraw/zinc/94/80/11/754948011.db2.gz UYOMJCQTXRVHFE-IYBDPMFKSA-N 1 2 298.386 1.546 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(OC)c1 ZINC001018238141 754948016 /nfs/dbraw/zinc/94/80/16/754948016.db2.gz UYOMJCQTXRVHFE-IYBDPMFKSA-N 1 2 298.386 1.546 20 30 CDEDLO CCOc1cc(F)ccc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000819414252 754956475 /nfs/dbraw/zinc/95/64/75/754956475.db2.gz ATMOQCYBILWKPX-ZDUSSCGKSA-N 1 2 295.358 1.843 20 30 CDEDLO CCOc1cc(F)ccc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000819414252 754956478 /nfs/dbraw/zinc/95/64/78/754956478.db2.gz ATMOQCYBILWKPX-ZDUSSCGKSA-N 1 2 295.358 1.843 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCOC[C@H](C)C1 ZINC000328675232 754965527 /nfs/dbraw/zinc/96/55/27/754965527.db2.gz KMDYZLXPFJOREG-ZWNOBZJWSA-N 1 2 294.399 1.982 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCOC[C@H](C)C1 ZINC000328675232 754965532 /nfs/dbraw/zinc/96/55/32/754965532.db2.gz KMDYZLXPFJOREG-ZWNOBZJWSA-N 1 2 294.399 1.982 20 30 CDEDLO C#CC1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000826046323 754988883 /nfs/dbraw/zinc/98/88/83/754988883.db2.gz OELXDGIBUPOSCP-UONOGXRCSA-N 1 2 293.411 1.150 20 30 CDEDLO C=CC[NH2+][C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC000999212372 755050842 /nfs/dbraw/zinc/05/08/42/755050842.db2.gz YSNILFHLBXCEQK-BDAKNGLRSA-N 1 2 268.254 1.653 20 30 CDEDLO C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000999212372 755050851 /nfs/dbraw/zinc/05/08/51/755050851.db2.gz YSNILFHLBXCEQK-BDAKNGLRSA-N 1 2 268.254 1.653 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)CC1CCCCC1 ZINC000884313907 755058307 /nfs/dbraw/zinc/05/83/07/755058307.db2.gz SNIXJEOEHXJKKN-OCCSQVGLSA-N 1 2 296.411 1.908 20 30 CDEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(Cl)c2)C1 ZINC001047553263 755063702 /nfs/dbraw/zinc/06/37/02/755063702.db2.gz WGRYZZUDDKMLGW-QWRGUYRKSA-N 1 2 298.795 1.152 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@H+](CCCF)[C@H]2C1 ZINC001074311608 755074706 /nfs/dbraw/zinc/07/47/06/755074706.db2.gz AGBYWWPBDGIKEW-KBPBESRZSA-N 1 2 298.402 1.860 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@@H+](CCCF)[C@H]2C1 ZINC001074311608 755074713 /nfs/dbraw/zinc/07/47/13/755074713.db2.gz AGBYWWPBDGIKEW-KBPBESRZSA-N 1 2 298.402 1.860 20 30 CDEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)N(C)C(C)C)cc1 ZINC000842021921 755085620 /nfs/dbraw/zinc/08/56/20/755085620.db2.gz UJESNUDHUGGNRG-NSHDSACASA-N 1 2 293.367 1.587 20 30 CDEDLO C=C(Cl)CN1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001018333642 755099633 /nfs/dbraw/zinc/09/96/33/755099633.db2.gz AHPDHAYPFMCDDR-BETUJISGSA-N 1 2 294.786 1.311 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cccnc1)CO2 ZINC001053716297 755101719 /nfs/dbraw/zinc/10/17/19/755101719.db2.gz PPCKMRBNVXIETE-AWEZNQCLSA-N 1 2 287.363 1.231 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccn[nH]3)[C@@H]2C1 ZINC001075638857 755105494 /nfs/dbraw/zinc/10/54/94/755105494.db2.gz PLUBECSXERFGPQ-WCQYABFASA-N 1 2 294.786 1.237 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3ccn[nH]3)[C@@H]2C1 ZINC001075638857 755105498 /nfs/dbraw/zinc/10/54/98/755105498.db2.gz PLUBECSXERFGPQ-WCQYABFASA-N 1 2 294.786 1.237 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2cc3nc(C)ccc3o2)CC1 ZINC000989528333 755133450 /nfs/dbraw/zinc/13/34/50/755133450.db2.gz CTWULUXUXHSRFL-UHFFFAOYSA-N 1 2 297.358 1.917 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc3nc(C)ccc3o2)CC1 ZINC000989528333 755133461 /nfs/dbraw/zinc/13/34/61/755133461.db2.gz CTWULUXUXHSRFL-UHFFFAOYSA-N 1 2 297.358 1.917 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cscc2C)C1 ZINC001035326339 755152656 /nfs/dbraw/zinc/15/26/56/755152656.db2.gz OKFQEPRTUNYALQ-LBPRGKRZSA-N 1 2 280.393 1.673 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cscc2C)C1 ZINC001035326339 755152674 /nfs/dbraw/zinc/15/26/74/755152674.db2.gz OKFQEPRTUNYALQ-LBPRGKRZSA-N 1 2 280.393 1.673 20 30 CDEDLO C=C(C)CONC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000845596048 755160026 /nfs/dbraw/zinc/16/00/26/755160026.db2.gz OHUWHQAINXUJBR-UHFFFAOYSA-N 1 2 264.329 1.737 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NCCNC(C)=O ZINC000820604942 755166069 /nfs/dbraw/zinc/16/60/69/755166069.db2.gz NQGAATZVDVJULI-UHFFFAOYSA-N 1 2 261.325 1.422 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc3c(cn2)OCCC3)C1 ZINC001044238397 755190275 /nfs/dbraw/zinc/19/02/75/755190275.db2.gz KMFXDTJJDQXZQD-UHFFFAOYSA-N 1 2 299.374 1.186 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2cscn2)C1 ZINC001027330381 755232763 /nfs/dbraw/zinc/23/27/63/755232763.db2.gz OOXNYTZBRDEZEM-WCQYABFASA-N 1 2 292.408 1.726 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cscn2)C1 ZINC001027330381 755232770 /nfs/dbraw/zinc/23/27/70/755232770.db2.gz OOXNYTZBRDEZEM-WCQYABFASA-N 1 2 292.408 1.726 20 30 CDEDLO C=CCCCCCCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000882195822 755236138 /nfs/dbraw/zinc/23/61/38/755236138.db2.gz UGOBWODQLHVOQC-UHFFFAOYSA-N 1 2 285.413 1.939 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1sc2nccn2c1C ZINC001038364017 755236336 /nfs/dbraw/zinc/23/63/36/755236336.db2.gz YBFAVLLAQQYRBG-NSHDSACASA-N 1 2 290.392 1.694 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1sc2nccn2c1C ZINC001038364017 755236346 /nfs/dbraw/zinc/23/63/46/755236346.db2.gz YBFAVLLAQQYRBG-NSHDSACASA-N 1 2 290.392 1.694 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(N(C)C)c(F)c2)C1 ZINC001031441700 755238031 /nfs/dbraw/zinc/23/80/31/755238031.db2.gz KQLJKQOPNADLJX-UHFFFAOYSA-N 1 2 291.370 1.882 20 30 CDEDLO C#C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000843968661 755238346 /nfs/dbraw/zinc/23/83/46/755238346.db2.gz YTFLQRSRHAEEBJ-GJZGRUSLSA-N 1 2 279.343 1.936 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2nn(C)cc2C)C1 ZINC001046308516 755263875 /nfs/dbraw/zinc/26/38/75/755263875.db2.gz HFSKKZHFMNMACZ-CQSZACIVSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2nn(C)cc2C)C1 ZINC001046308516 755263888 /nfs/dbraw/zinc/26/38/88/755263888.db2.gz HFSKKZHFMNMACZ-CQSZACIVSA-N 1 2 296.802 1.675 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cocn3)cc2C1 ZINC001054257656 755315966 /nfs/dbraw/zinc/31/59/66/755315966.db2.gz RICSKCXLNWEXKD-UHFFFAOYSA-N 1 2 281.315 1.553 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cocn3)cc2C1 ZINC001054257656 755315971 /nfs/dbraw/zinc/31/59/71/755315971.db2.gz RICSKCXLNWEXKD-UHFFFAOYSA-N 1 2 281.315 1.553 20 30 CDEDLO C=C1CCC(C(=O)N2CCOC3(C[NH+](CC)C3)C2)CC1 ZINC001053405911 755326155 /nfs/dbraw/zinc/32/61/55/755326155.db2.gz YJHWHSNFBMTXPX-UHFFFAOYSA-N 1 2 278.396 1.666 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2cc(C)ccn12 ZINC001038300727 755348215 /nfs/dbraw/zinc/34/82/15/755348215.db2.gz NTXVVYZRHFUEHC-AWEZNQCLSA-N 1 2 296.374 1.470 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2cc(C)ccn12 ZINC001038300727 755348221 /nfs/dbraw/zinc/34/82/21/755348221.db2.gz NTXVVYZRHFUEHC-AWEZNQCLSA-N 1 2 296.374 1.470 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1conc1C(C)C ZINC001038337686 755350054 /nfs/dbraw/zinc/35/00/54/755350054.db2.gz HQQHWEIFNKUCKV-GFCCVEGCSA-N 1 2 275.352 1.625 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1conc1C(C)C ZINC001038337686 755350057 /nfs/dbraw/zinc/35/00/57/755350057.db2.gz HQQHWEIFNKUCKV-GFCCVEGCSA-N 1 2 275.352 1.625 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1nccc(OC)c1OC)[C@H]1CCCO1 ZINC000789385528 755355957 /nfs/dbraw/zinc/35/59/57/755355957.db2.gz ATCRUUZRUBMQBT-DGCLKSJQSA-N 1 2 276.336 1.369 20 30 CDEDLO C#C[C@H]([NH2+]Cc1cc(F)ncc1F)[C@@H]1CCCO1 ZINC000824196853 755414529 /nfs/dbraw/zinc/41/45/29/755414529.db2.gz YHNCGDSOHIFBRN-RYUDHWBXSA-N 1 2 252.264 1.630 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)cc2c[nH]nc21 ZINC001038812094 755453528 /nfs/dbraw/zinc/45/35/28/755453528.db2.gz LSFUAXVMDRYBHV-ZDUSSCGKSA-N 1 2 282.347 1.309 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)cc2c[nH]nc21 ZINC001038812094 755453536 /nfs/dbraw/zinc/45/35/36/755453536.db2.gz LSFUAXVMDRYBHV-ZDUSSCGKSA-N 1 2 282.347 1.309 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC001015318430 755485280 /nfs/dbraw/zinc/48/52/80/755485280.db2.gz VEZSSYAYDQNUTL-JTQLQIEISA-N 1 2 271.723 1.710 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC001015318430 755485285 /nfs/dbraw/zinc/48/52/85/755485285.db2.gz VEZSSYAYDQNUTL-JTQLQIEISA-N 1 2 271.723 1.710 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc2cc(C(=O)OC)ccc2[nH]1 ZINC000851990888 755492654 /nfs/dbraw/zinc/49/26/54/755492654.db2.gz YQDXQOHGLUAAGX-SNVBAGLBSA-N 1 2 271.320 1.803 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cc1nc2cc(C(=O)OC)ccc2[nH]1 ZINC000851990888 755492657 /nfs/dbraw/zinc/49/26/57/755492657.db2.gz YQDXQOHGLUAAGX-SNVBAGLBSA-N 1 2 271.320 1.803 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC(OCC)C2)C1 ZINC001010816295 755492693 /nfs/dbraw/zinc/49/26/93/755492693.db2.gz MVLJLOXFNFWHBA-CPCZMJQVSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC(OCC)C2)C1 ZINC001010816295 755492696 /nfs/dbraw/zinc/49/26/96/755492696.db2.gz MVLJLOXFNFWHBA-CPCZMJQVSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]cnc1C ZINC001028351917 755511011 /nfs/dbraw/zinc/51/10/11/755511011.db2.gz BPVXICIDYSMLCS-LLVKDONJSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]cnc1C ZINC001028351917 755511015 /nfs/dbraw/zinc/51/10/15/755511015.db2.gz BPVXICIDYSMLCS-LLVKDONJSA-N 1 2 282.775 1.665 20 30 CDEDLO Cc1nc(C[NH2+]C[C@@H](C#N)CCC#N)ccc1[C@H](C)O ZINC000843107995 755603342 /nfs/dbraw/zinc/60/33/42/755603342.db2.gz WPKLLFGQRZIPMN-QWHCGFSZSA-N 1 2 272.352 1.976 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2cc(C(F)(F)F)no2)C1 ZINC001030486839 755604829 /nfs/dbraw/zinc/60/48/29/755604829.db2.gz NMOTYTCSIWCNIO-UHFFFAOYSA-N 1 2 289.257 1.684 20 30 CDEDLO Cc1[nH+]c(C(C)N=Nc2cc(C)nc(C)n2)cn1C ZINC000800809970 755613622 /nfs/dbraw/zinc/61/36/22/755613622.db2.gz CYGQIHMOJLUJKS-UHFFFAOYSA-N 1 2 258.329 1.971 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)c1 ZINC000866120260 755632230 /nfs/dbraw/zinc/63/22/30/755632230.db2.gz UQKXSCNYGQDUOY-LLVKDONJSA-N 1 2 264.304 1.050 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)c1 ZINC000866120260 755632234 /nfs/dbraw/zinc/63/22/34/755632234.db2.gz UQKXSCNYGQDUOY-LLVKDONJSA-N 1 2 264.304 1.050 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cscn2)C1 ZINC001042530490 755632275 /nfs/dbraw/zinc/63/22/75/755632275.db2.gz DVYHHWVUEBEOCM-UHFFFAOYSA-N 1 2 251.355 1.475 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2ccc(F)s2)CC1 ZINC000989780564 755641049 /nfs/dbraw/zinc/64/10/49/755641049.db2.gz VEXVTWKPSZBLMV-UHFFFAOYSA-N 1 2 266.341 1.668 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2ccc(F)s2)CC1 ZINC000989780564 755641056 /nfs/dbraw/zinc/64/10/56/755641056.db2.gz VEXVTWKPSZBLMV-UHFFFAOYSA-N 1 2 266.341 1.668 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cc([C@@H](C)CC)no2)C1 ZINC001015811599 755721209 /nfs/dbraw/zinc/72/12/09/755721209.db2.gz JFQZLZPMQXOPPC-RYUDHWBXSA-N 1 2 275.352 1.625 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc([C@@H](C)CC)no2)C1 ZINC001015811599 755721216 /nfs/dbraw/zinc/72/12/16/755721216.db2.gz JFQZLZPMQXOPPC-RYUDHWBXSA-N 1 2 275.352 1.625 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCO[C@@H]2CC)C1 ZINC001030424471 755721729 /nfs/dbraw/zinc/72/17/29/755721729.db2.gz SJZIGLKQTFBRRY-ZIAGYGMSSA-N 1 2 264.369 1.015 20 30 CDEDLO Cn1nncc1N=NC1CCN(c2cccc[nH+]2)CC1 ZINC000814980718 755753443 /nfs/dbraw/zinc/75/34/43/755753443.db2.gz KCLVTMZAJUSENZ-UHFFFAOYSA-N 1 2 271.328 1.278 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](O)c2ccccc21 ZINC000889259468 755774334 /nfs/dbraw/zinc/77/43/34/755774334.db2.gz GOIBWSAYKBGYRG-JKSUJKDBSA-N 1 2 284.359 1.554 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](O)c2ccccc21 ZINC000889259468 755774346 /nfs/dbraw/zinc/77/43/46/755774346.db2.gz GOIBWSAYKBGYRG-JKSUJKDBSA-N 1 2 284.359 1.554 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928646104 755811283 /nfs/dbraw/zinc/81/12/83/755811283.db2.gz DNISMEXMCOJEQY-ZDUSSCGKSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccccc1)O2 ZINC001053562835 755813203 /nfs/dbraw/zinc/81/32/03/755813203.db2.gz ITGZENRXOXEUIR-OAHLLOKOSA-N 1 2 286.375 1.836 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]1C(F)F ZINC001017617066 755820030 /nfs/dbraw/zinc/82/00/30/755820030.db2.gz JZZAPMLFPDDUJX-RQJABVFESA-N 1 2 296.361 1.976 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]1C(F)F ZINC001017617066 755820032 /nfs/dbraw/zinc/82/00/32/755820032.db2.gz JZZAPMLFPDDUJX-RQJABVFESA-N 1 2 296.361 1.976 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1occ2c1CCC2 ZINC001038565929 755821277 /nfs/dbraw/zinc/82/12/77/755821277.db2.gz ZJTFPSSRKQKXKL-GFCCVEGCSA-N 1 2 258.321 1.206 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1occ2c1CCC2 ZINC001038565929 755821279 /nfs/dbraw/zinc/82/12/79/755821279.db2.gz ZJTFPSSRKQKXKL-GFCCVEGCSA-N 1 2 258.321 1.206 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(NC(C)=O)c1C ZINC001038916982 755828995 /nfs/dbraw/zinc/82/89/95/755828995.db2.gz KSVYAICPGQLHMG-CQSZACIVSA-N 1 2 299.374 1.391 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(NC(C)=O)c1C ZINC001038916982 755828999 /nfs/dbraw/zinc/82/89/99/755828999.db2.gz KSVYAICPGQLHMG-CQSZACIVSA-N 1 2 299.374 1.391 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C/C=C\Cl)c1 ZINC001032337050 755849267 /nfs/dbraw/zinc/84/92/67/755849267.db2.gz PTDDHOIWMCWKCY-ZMCHVJTCSA-N 1 2 290.754 1.538 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C/C=C\Cl)c1 ZINC001032337050 755849268 /nfs/dbraw/zinc/84/92/68/755849268.db2.gz PTDDHOIWMCWKCY-ZMCHVJTCSA-N 1 2 290.754 1.538 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](CCOC3CCC3)C2)cc1 ZINC001030777325 755866140 /nfs/dbraw/zinc/86/61/40/755866140.db2.gz TYEZNGDQYFXRIW-UHFFFAOYSA-N 1 2 298.386 1.651 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCCOC1 ZINC001018278554 755877318 /nfs/dbraw/zinc/87/73/18/755877318.db2.gz BCDNSEFHKVQBNT-KFWWJZLASA-N 1 2 276.380 1.112 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCCOC1 ZINC001018278554 755877319 /nfs/dbraw/zinc/87/73/19/755877319.db2.gz BCDNSEFHKVQBNT-KFWWJZLASA-N 1 2 276.380 1.112 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2OCCc3ccsc32)C1 ZINC001031274011 755882085 /nfs/dbraw/zinc/88/20/85/755882085.db2.gz KBHYVDNNYPAXJP-CYBMUJFWSA-N 1 2 292.404 1.738 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccncn2)C1 ZINC001046711788 755894997 /nfs/dbraw/zinc/89/49/97/755894997.db2.gz OICGZSPFCOXQSI-CYBMUJFWSA-N 1 2 280.759 1.423 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccncn2)C1 ZINC001046711788 755894999 /nfs/dbraw/zinc/89/49/99/755894999.db2.gz OICGZSPFCOXQSI-CYBMUJFWSA-N 1 2 280.759 1.423 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](NC(=O)CC)C2)c1 ZINC001009815398 755898599 /nfs/dbraw/zinc/89/85/99/755898599.db2.gz OBPZVXYZEBTQPC-OAHLLOKOSA-N 1 2 299.374 1.207 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](NC(=O)CC)C2)c1 ZINC001009815398 755898600 /nfs/dbraw/zinc/89/86/00/755898600.db2.gz OBPZVXYZEBTQPC-OAHLLOKOSA-N 1 2 299.374 1.207 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001039040741 755923883 /nfs/dbraw/zinc/92/38/83/755923883.db2.gz UTXSUWFWSXJYBF-BBBYJDLNSA-N 1 2 260.381 1.781 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001039040741 755923885 /nfs/dbraw/zinc/92/38/85/755923885.db2.gz UTXSUWFWSXJYBF-BBBYJDLNSA-N 1 2 260.381 1.781 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001030730331 755926406 /nfs/dbraw/zinc/92/64/06/755926406.db2.gz HVSLTKVQDOUOPV-UHFFFAOYSA-N 1 2 282.387 1.930 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccsc1C ZINC000884462111 755936977 /nfs/dbraw/zinc/93/69/77/755936977.db2.gz VVPBBCSVYMMNPS-VIFPVBQESA-N 1 2 268.338 1.442 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C/c1ccc[nH]1 ZINC001017502227 755939958 /nfs/dbraw/zinc/93/99/58/755939958.db2.gz DNTJWIXOASNFLQ-CZXPBSPDSA-N 1 2 269.348 1.336 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C/c1ccc[nH]1 ZINC001017502227 755939964 /nfs/dbraw/zinc/93/99/64/755939964.db2.gz DNTJWIXOASNFLQ-CZXPBSPDSA-N 1 2 269.348 1.336 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000831447493 755962488 /nfs/dbraw/zinc/96/24/88/755962488.db2.gz OMPUPWLLHARICQ-LBPRGKRZSA-N 1 2 292.358 1.033 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccsc2COC)CC1 ZINC000865084703 755985783 /nfs/dbraw/zinc/98/57/83/755985783.db2.gz FYNSOKMZUBSQGW-UHFFFAOYSA-N 1 2 292.404 1.676 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2CC[C@H](C(F)(F)F)O2)C1 ZINC001030712503 756025850 /nfs/dbraw/zinc/02/58/50/756025850.db2.gz SAAXZCQXGFLMCI-WDEREUQCSA-N 1 2 292.301 1.473 20 30 CDEDLO C#CC1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000882532686 756063561 /nfs/dbraw/zinc/06/35/61/756063561.db2.gz VGZCUFSVBCXLGB-GFCCVEGCSA-N 1 2 257.337 1.508 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1nccs1)CO2 ZINC001053965377 756065660 /nfs/dbraw/zinc/06/56/60/756065660.db2.gz CJGACNLTVZQSDD-NSHDSACASA-N 1 2 293.392 1.292 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2)C1 ZINC000932161470 756072756 /nfs/dbraw/zinc/07/27/56/756072756.db2.gz MQFPWDWMMUMGQG-ZIAGYGMSSA-N 1 2 260.337 1.662 20 30 CDEDLO N#C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2)C1 ZINC000932161470 756072761 /nfs/dbraw/zinc/07/27/61/756072761.db2.gz MQFPWDWMMUMGQG-ZIAGYGMSSA-N 1 2 260.337 1.662 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CC(=O)N(C)C1 ZINC000853361470 756091866 /nfs/dbraw/zinc/09/18/66/756091866.db2.gz PMNCKTZDHLOKNM-GFCCVEGCSA-N 1 2 273.336 1.516 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3(CF)CC3)C[C@H]21 ZINC001074336288 756153060 /nfs/dbraw/zinc/15/30/60/756153060.db2.gz MWTQYCXVALJVSQ-ZIAGYGMSSA-N 1 2 294.370 1.061 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(CF)CC3)C[C@H]21 ZINC001074336288 756153065 /nfs/dbraw/zinc/15/30/65/756153065.db2.gz MWTQYCXVALJVSQ-ZIAGYGMSSA-N 1 2 294.370 1.061 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C2CC2)CCC1 ZINC001017775127 756153910 /nfs/dbraw/zinc/15/39/10/756153910.db2.gz OFQACFNYWFWRTO-GASCZTMLSA-N 1 2 272.392 1.875 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C2CC2)CCC1 ZINC001017775127 756153927 /nfs/dbraw/zinc/15/39/27/756153927.db2.gz OFQACFNYWFWRTO-GASCZTMLSA-N 1 2 272.392 1.875 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)nc1 ZINC000788834076 756224923 /nfs/dbraw/zinc/22/49/23/756224923.db2.gz IRUFGPPVSBUKCX-OAHLLOKOSA-N 1 2 293.326 1.751 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)C=CCC1 ZINC001017807284 756243035 /nfs/dbraw/zinc/24/30/35/756243035.db2.gz SBLAARPLNKNUBP-IJEWVQPXSA-N 1 2 258.365 1.651 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)C=CCC1 ZINC001017807284 756243045 /nfs/dbraw/zinc/24/30/45/756243045.db2.gz SBLAARPLNKNUBP-IJEWVQPXSA-N 1 2 258.365 1.651 20 30 CDEDLO COC[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000933337900 756271643 /nfs/dbraw/zinc/27/16/43/756271643.db2.gz WNPPEFZQZAGPFS-HNNXBMFYSA-N 1 2 260.337 1.714 20 30 CDEDLO COC[C@H]1COCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000933337900 756271656 /nfs/dbraw/zinc/27/16/56/756271656.db2.gz WNPPEFZQZAGPFS-HNNXBMFYSA-N 1 2 260.337 1.714 20 30 CDEDLO C#CC[C@@H]1CCN(c2cc(NC[C@@H](C)O)[nH+]cn2)C1 ZINC000884594205 756306623 /nfs/dbraw/zinc/30/66/23/756306623.db2.gz BWMBCANLHISJPR-VXGBXAGGSA-N 1 2 260.341 1.119 20 30 CDEDLO C#CC[C@@H]1CCN(c2cc(NC[C@@H](C)O)nc[nH+]2)C1 ZINC000884594205 756306630 /nfs/dbraw/zinc/30/66/30/756306630.db2.gz BWMBCANLHISJPR-VXGBXAGGSA-N 1 2 260.341 1.119 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2ccncc21 ZINC001038870402 756309564 /nfs/dbraw/zinc/30/95/64/756309564.db2.gz TZEITYJIFSEBNH-CQSZACIVSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2ccncc21 ZINC001038870402 756309571 /nfs/dbraw/zinc/30/95/71/756309571.db2.gz TZEITYJIFSEBNH-CQSZACIVSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1C(C)(C)C ZINC001038829029 756319007 /nfs/dbraw/zinc/31/90/07/756319007.db2.gz HKOGRDHWENWJMP-GFCCVEGCSA-N 1 2 288.395 1.155 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1C(C)(C)C ZINC001038829029 756319010 /nfs/dbraw/zinc/31/90/10/756319010.db2.gz HKOGRDHWENWJMP-GFCCVEGCSA-N 1 2 288.395 1.155 20 30 CDEDLO C=CCOCC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874895289 756348057 /nfs/dbraw/zinc/34/80/57/756348057.db2.gz BSKKILLQBYVISI-AWEZNQCLSA-N 1 2 278.327 1.501 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000884143307 756348632 /nfs/dbraw/zinc/34/86/32/756348632.db2.gz DNNQYRMLBXRTKX-SRVKXCTJSA-N 1 2 268.357 1.080 20 30 CDEDLO Cc1nc(N2C[C@@H]3CCCN(C(=O)[C@H](C)C#N)[C@@H]3C2)cc[nH+]1 ZINC001066220473 756359595 /nfs/dbraw/zinc/35/95/95/756359595.db2.gz QLKNRIJUDKQOLY-KWCYVHTRSA-N 1 2 299.378 1.372 20 30 CDEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC(=O)NCC2(C)C)cc1 ZINC000800539010 756395388 /nfs/dbraw/zinc/39/53/88/756395388.db2.gz KLTPNANLSAXICA-LBPRGKRZSA-N 1 2 287.363 1.688 20 30 CDEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC(=O)NCC2(C)C)cc1 ZINC000800539010 756395394 /nfs/dbraw/zinc/39/53/94/756395394.db2.gz KLTPNANLSAXICA-LBPRGKRZSA-N 1 2 287.363 1.688 20 30 CDEDLO Cc1nnsc1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000971209930 756437618 /nfs/dbraw/zinc/43/76/18/756437618.db2.gz VNXBBYDAWJYFIT-GXSJLCMTSA-N 1 2 293.396 1.039 20 30 CDEDLO Cc1nnsc1C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000971209930 756437634 /nfs/dbraw/zinc/43/76/34/756437634.db2.gz VNXBBYDAWJYFIT-GXSJLCMTSA-N 1 2 293.396 1.039 20 30 CDEDLO Cc1noc([C@H]2CCCC[N@H+]2CCO[C@@H](C)C#N)n1 ZINC000796668373 756606782 /nfs/dbraw/zinc/60/67/82/756606782.db2.gz KPVUODHNLCUMDF-CMPLNLGQSA-N 1 2 264.329 1.834 20 30 CDEDLO Cc1noc([C@H]2CCCC[N@@H+]2CCO[C@@H](C)C#N)n1 ZINC000796668373 756606794 /nfs/dbraw/zinc/60/67/94/756606794.db2.gz KPVUODHNLCUMDF-CMPLNLGQSA-N 1 2 264.329 1.834 20 30 CDEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)C(C)(C)C ZINC001017418756 756615643 /nfs/dbraw/zinc/61/56/43/756615643.db2.gz PPGYNBPFSQWZFE-BETUJISGSA-N 1 2 278.396 1.853 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)C(C)(C)C ZINC001017418756 756615653 /nfs/dbraw/zinc/61/56/53/756615653.db2.gz PPGYNBPFSQWZFE-BETUJISGSA-N 1 2 278.396 1.853 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1C1CC1 ZINC001032816871 756665188 /nfs/dbraw/zinc/66/51/88/756665188.db2.gz GSCMFOYVIYIEPA-KBPBESRZSA-N 1 2 298.390 1.220 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1C1CC1 ZINC001032816871 756665195 /nfs/dbraw/zinc/66/51/95/756665195.db2.gz GSCMFOYVIYIEPA-KBPBESRZSA-N 1 2 298.390 1.220 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2Cc3ccccc3O2)C1 ZINC001030362039 756755440 /nfs/dbraw/zinc/75/54/40/756755440.db2.gz IRBSRCPFOTZJNM-OAHLLOKOSA-N 1 2 284.359 1.204 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnn(C)c2)C1 ZINC001046118356 756786448 /nfs/dbraw/zinc/78/64/48/756786448.db2.gz GSYCFSJMVBVCOS-ZDUSSCGKSA-N 1 2 282.775 1.367 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnn(C)c2)C1 ZINC001046118356 756786450 /nfs/dbraw/zinc/78/64/50/756786450.db2.gz GSYCFSJMVBVCOS-ZDUSSCGKSA-N 1 2 282.775 1.367 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCCc2ccnn2C)ccc1F ZINC000871728457 756804551 /nfs/dbraw/zinc/80/45/51/756804551.db2.gz OFZBHZDGLAJMIY-UHFFFAOYSA-N 1 2 276.315 1.747 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C)CC[C@H]1C ZINC000884143309 756812639 /nfs/dbraw/zinc/81/26/39/756812639.db2.gz DNNQYRMLBXRTKX-UTUOFQBUSA-N 1 2 268.357 1.080 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2occ3c2CCCC3)C1 ZINC001044229500 756813528 /nfs/dbraw/zinc/81/35/28/756813528.db2.gz RITPGCXFAOJLAT-UHFFFAOYSA-N 1 2 286.375 1.938 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C2CC3(CCC3)C2)C1 ZINC001035469218 756833787 /nfs/dbraw/zinc/83/37/87/756833787.db2.gz DIONFNSSOQAJOV-OAHLLOKOSA-N 1 2 292.423 1.960 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C2CC3(CCC3)C2)C1 ZINC001035469218 756833788 /nfs/dbraw/zinc/83/37/88/756833788.db2.gz DIONFNSSOQAJOV-OAHLLOKOSA-N 1 2 292.423 1.960 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccccc2F)C1 ZINC001031342074 756861426 /nfs/dbraw/zinc/86/14/26/756861426.db2.gz NFSWCIRPCMQWDE-UHFFFAOYSA-N 1 2 260.312 1.192 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001033169805 756899750 /nfs/dbraw/zinc/89/97/50/756899750.db2.gz REQXJMVORAUKDP-JTQLQIEISA-N 1 2 298.774 1.323 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001033169805 756899751 /nfs/dbraw/zinc/89/97/51/756899751.db2.gz REQXJMVORAUKDP-JTQLQIEISA-N 1 2 298.774 1.323 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(C)cc1=O ZINC001018139791 756965228 /nfs/dbraw/zinc/96/52/28/756965228.db2.gz SPNBKSQBVWPCFC-BETUJISGSA-N 1 2 287.363 1.158 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(C)cc1=O ZINC001018139791 756965238 /nfs/dbraw/zinc/96/52/38/756965238.db2.gz SPNBKSQBVWPCFC-BETUJISGSA-N 1 2 287.363 1.158 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)n1 ZINC001017360575 756981064 /nfs/dbraw/zinc/98/10/64/756981064.db2.gz NGAWLSDEBYECFA-OKILXGFUSA-N 1 2 269.348 1.312 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)n1 ZINC001017360575 756981080 /nfs/dbraw/zinc/98/10/80/756981080.db2.gz NGAWLSDEBYECFA-OKILXGFUSA-N 1 2 269.348 1.312 20 30 CDEDLO C=C(Cl)CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000777539625 757010360 /nfs/dbraw/zinc/01/03/60/757010360.db2.gz GELDUEQVKLDHSM-VIFPVBQESA-N 1 2 254.721 1.250 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)OC ZINC001039337787 757048222 /nfs/dbraw/zinc/04/82/22/757048222.db2.gz KMPDCQHZLCVWAM-UPJWGTAASA-N 1 2 286.803 1.839 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)OC ZINC001039337787 757048231 /nfs/dbraw/zinc/04/82/31/757048231.db2.gz KMPDCQHZLCVWAM-UPJWGTAASA-N 1 2 286.803 1.839 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1[C@H](C)CCC ZINC000884324801 757049461 /nfs/dbraw/zinc/04/94/61/757049461.db2.gz AEKPLOZOKPZYDJ-RDBSUJKOSA-N 1 2 296.411 1.860 20 30 CDEDLO C#CCOCC[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000851731609 757074227 /nfs/dbraw/zinc/07/42/27/757074227.db2.gz VICOTMOORPEEKW-UHFFFAOYSA-N 1 2 278.377 1.156 20 30 CDEDLO C#CCC[N@@H+](CCOC)CN1CC(C)(C)OC1=O ZINC000853620896 757165036 /nfs/dbraw/zinc/16/50/36/757165036.db2.gz IUQLSNOJMKKFKC-UHFFFAOYSA-N 1 2 254.330 1.146 20 30 CDEDLO C#CCC[N@H+](CCOC)CN1CC(C)(C)OC1=O ZINC000853620896 757165046 /nfs/dbraw/zinc/16/50/46/757165046.db2.gz IUQLSNOJMKKFKC-UHFFFAOYSA-N 1 2 254.330 1.146 20 30 CDEDLO C=CCC(F)(F)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000816202732 757175197 /nfs/dbraw/zinc/17/51/97/757175197.db2.gz FPKFREYHWNURGH-SECBINFHSA-N 1 2 255.268 1.526 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2c(O)cccc2F)C1 ZINC000923566593 757183463 /nfs/dbraw/zinc/18/34/63/757183463.db2.gz RNBQTCXTVHQTFZ-LLVKDONJSA-N 1 2 276.311 1.359 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c(O)cccc2F)C1 ZINC000923566593 757183488 /nfs/dbraw/zinc/18/34/88/757183488.db2.gz RNBQTCXTVHQTFZ-LLVKDONJSA-N 1 2 276.311 1.359 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc[nH]1)CO2 ZINC001053738625 757183523 /nfs/dbraw/zinc/18/35/23/757183523.db2.gz PKCJHYIAIIBVGZ-GFCCVEGCSA-N 1 2 275.352 1.164 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(C)CC(=C)C1)CO2 ZINC001053919084 757213407 /nfs/dbraw/zinc/21/34/07/757213407.db2.gz CZBDIRWMDRWUDP-CQSZACIVSA-N 1 2 288.391 1.326 20 30 CDEDLO N#Cc1ccccc1OCC[N@@H+]1CCc2ncncc2C1 ZINC000880594604 757223419 /nfs/dbraw/zinc/22/34/19/757223419.db2.gz MVMWJXFFWQYZSP-UHFFFAOYSA-N 1 2 280.331 1.785 20 30 CDEDLO N#Cc1ccccc1OCC[N@H+]1CCc2ncncc2C1 ZINC000880594604 757223437 /nfs/dbraw/zinc/22/34/37/757223437.db2.gz MVMWJXFFWQYZSP-UHFFFAOYSA-N 1 2 280.331 1.785 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](CN2C[C@@]3(CCOC3)CC2=O)C1 ZINC000853524404 757225250 /nfs/dbraw/zinc/22/52/50/757225250.db2.gz MTAHASBECOAQAH-DZGCQCFKSA-N 1 2 277.368 1.209 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](CN2C[C@@]3(CCOC3)CC2=O)C1 ZINC000853524404 757225262 /nfs/dbraw/zinc/22/52/62/757225262.db2.gz MTAHASBECOAQAH-DZGCQCFKSA-N 1 2 277.368 1.209 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cnn3ccccc23)C1 ZINC001042952946 757240152 /nfs/dbraw/zinc/24/01/52/757240152.db2.gz CLJBMBYBZMQYFW-UHFFFAOYSA-N 1 2 284.363 1.205 20 30 CDEDLO C#CCN(C)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000812072456 757255632 /nfs/dbraw/zinc/25/56/32/757255632.db2.gz ZALDTAIZUCLCAV-OAHLLOKOSA-N 1 2 296.374 1.979 20 30 CDEDLO C=CCOc1cccnc1C(=O)OCCc1c[nH+]cn1C ZINC000793256218 757302267 /nfs/dbraw/zinc/30/22/67/757302267.db2.gz QHJFTMILIXMFSS-UHFFFAOYSA-N 1 2 287.319 1.779 20 30 CDEDLO N#CCN1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000981454475 757309566 /nfs/dbraw/zinc/30/95/66/757309566.db2.gz RTQKDELZXQUCTN-UHFFFAOYSA-N 1 2 283.335 1.234 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nsc1C ZINC001032805456 757322707 /nfs/dbraw/zinc/32/27/07/757322707.db2.gz QMEWLPATBVLJKT-STQMWFEESA-N 1 2 289.404 1.682 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nsc1C ZINC001032805456 757322720 /nfs/dbraw/zinc/32/27/20/757322720.db2.gz QMEWLPATBVLJKT-STQMWFEESA-N 1 2 289.404 1.682 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn(CCC)c2)C1 ZINC001031032464 757340191 /nfs/dbraw/zinc/34/01/91/757340191.db2.gz XBUIXEFGSNMTIW-UHFFFAOYSA-N 1 2 262.357 1.283 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC(C)(C)CO1 ZINC001017728009 757346305 /nfs/dbraw/zinc/34/63/05/757346305.db2.gz CLRWRQARTSMETO-QLFBSQMISA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC(C)(C)CO1 ZINC001017728009 757346321 /nfs/dbraw/zinc/34/63/21/757346321.db2.gz CLRWRQARTSMETO-QLFBSQMISA-N 1 2 290.407 1.500 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CCOC2(C[NH+](CC)C2)C1 ZINC001053408155 757406828 /nfs/dbraw/zinc/40/68/28/757406828.db2.gz DGMDQLQZVSMFNX-AWEZNQCLSA-N 1 2 266.385 1.522 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c(C)n1 ZINC001017736924 757557104 /nfs/dbraw/zinc/55/71/04/757557104.db2.gz CFAYMFFCRXTKFF-GASCZTMLSA-N 1 2 283.375 1.620 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c(C)n1 ZINC001017736924 757557133 /nfs/dbraw/zinc/55/71/33/757557133.db2.gz CFAYMFFCRXTKFF-GASCZTMLSA-N 1 2 283.375 1.620 20 30 CDEDLO Cc1nc(N(C)C[C@@H]2CCCN2C(=O)C#CC2CC2)cc[nH+]1 ZINC001067760595 757587519 /nfs/dbraw/zinc/58/75/19/757587519.db2.gz NZOKEXUHGGOVPF-HNNXBMFYSA-N 1 2 298.390 1.626 20 30 CDEDLO C[C@@H](C#N)N(C(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC000855582689 757652267 /nfs/dbraw/zinc/65/22/67/757652267.db2.gz MSYGKVYMLQWQAX-JTQLQIEISA-N 1 2 254.293 1.851 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]cc1C1CC1 ZINC001032708065 757761407 /nfs/dbraw/zinc/76/14/07/757761407.db2.gz YPPDVMSKKKBODM-STQMWFEESA-N 1 2 269.348 1.424 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]cc1C1CC1 ZINC001032708065 757761439 /nfs/dbraw/zinc/76/14/39/757761439.db2.gz YPPDVMSKKKBODM-STQMWFEESA-N 1 2 269.348 1.424 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccnc2C)C1 ZINC001043697683 757772329 /nfs/dbraw/zinc/77/23/29/757772329.db2.gz CXEFPEVZCSTHJZ-UHFFFAOYSA-N 1 2 259.353 1.722 20 30 CDEDLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000712276361 757869624 /nfs/dbraw/zinc/86/96/24/757869624.db2.gz FNLHKGBUCGUAIY-SNVBAGLBSA-N 1 2 299.783 1.194 20 30 CDEDLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000712276361 757869627 /nfs/dbraw/zinc/86/96/27/757869627.db2.gz FNLHKGBUCGUAIY-SNVBAGLBSA-N 1 2 299.783 1.194 20 30 CDEDLO CN(C)c1[nH+]cc(CN=Nc2ncc(F)cc2F)n1C ZINC000835023352 757986390 /nfs/dbraw/zinc/98/63/90/757986390.db2.gz GDQBXFKZUONAMS-UHFFFAOYSA-N 1 2 280.282 1.605 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(CCC)c1C ZINC001038839533 758003972 /nfs/dbraw/zinc/00/39/72/758003972.db2.gz FMPGNJXWTROXQB-CYBMUJFWSA-N 1 2 274.368 1.039 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(CCC)c1C ZINC001038839533 758003986 /nfs/dbraw/zinc/00/39/86/758003986.db2.gz FMPGNJXWTROXQB-CYBMUJFWSA-N 1 2 274.368 1.039 20 30 CDEDLO N#CCN1CC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028632559 758022741 /nfs/dbraw/zinc/02/27/41/758022741.db2.gz MFUVHXUKSBKBHQ-NSHDSACASA-N 1 2 283.335 1.138 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1snnc1C1CC1 ZINC001027946178 758084804 /nfs/dbraw/zinc/08/48/04/758084804.db2.gz ARNRVGDLKAGJKO-NSHDSACASA-N 1 2 290.392 1.243 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1snnc1C1CC1 ZINC001027946178 758084815 /nfs/dbraw/zinc/08/48/15/758084815.db2.gz ARNRVGDLKAGJKO-NSHDSACASA-N 1 2 290.392 1.243 20 30 CDEDLO C#C[C@H](CCC)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000791033170 758141140 /nfs/dbraw/zinc/14/11/40/758141140.db2.gz NDZHBMCUFTUZEL-KGLIPLIRSA-N 1 2 286.379 1.761 20 30 CDEDLO C[C@H](C#N)OCCNc1ccccc1C[NH+]1CCOCC1 ZINC000802741995 758150281 /nfs/dbraw/zinc/15/02/81/758150281.db2.gz XKKDOKMKPIIIDO-CQSZACIVSA-N 1 2 289.379 1.859 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2nc3c(s2)CCC3)C1 ZINC001030679260 758155068 /nfs/dbraw/zinc/15/50/68/758155068.db2.gz WRUDURPIMGDSST-UHFFFAOYSA-N 1 2 277.393 1.622 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C2CC2)no1 ZINC001038769904 758170120 /nfs/dbraw/zinc/17/01/20/758170120.db2.gz KJZWMCFOLMGEKJ-LBPRGKRZSA-N 1 2 273.336 1.379 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C2CC2)no1 ZINC001038769904 758170134 /nfs/dbraw/zinc/17/01/34/758170134.db2.gz KJZWMCFOLMGEKJ-LBPRGKRZSA-N 1 2 273.336 1.379 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@@H]3CCCCO3)C2)nc1 ZINC001031279219 758269336 /nfs/dbraw/zinc/26/93/36/758269336.db2.gz RLIYNUPEHTWFNV-HNNXBMFYSA-N 1 2 299.374 1.046 20 30 CDEDLO COC[C@H]1COCC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000933329363 758280283 /nfs/dbraw/zinc/28/02/83/758280283.db2.gz HUPVVZWVYPPOOC-HNNXBMFYSA-N 1 2 260.337 1.714 20 30 CDEDLO COC[C@H]1COCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000933329363 758280291 /nfs/dbraw/zinc/28/02/91/758280291.db2.gz HUPVVZWVYPPOOC-HNNXBMFYSA-N 1 2 260.337 1.714 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(C)c1C(F)F ZINC001038904205 758301822 /nfs/dbraw/zinc/30/18/22/758301822.db2.gz IADDXZCQBHGNSO-JTQLQIEISA-N 1 2 296.321 1.185 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(C)c1C(F)F ZINC001038904205 758301830 /nfs/dbraw/zinc/30/18/30/758301830.db2.gz IADDXZCQBHGNSO-JTQLQIEISA-N 1 2 296.321 1.185 20 30 CDEDLO CSc1ccc(C[NH2+]Cc2cn(C)nn2)cc1C#N ZINC000886277072 758333832 /nfs/dbraw/zinc/33/38/32/758333832.db2.gz GEBKRGROOAUXHK-UHFFFAOYSA-N 1 2 273.365 1.698 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1csc(C)c1 ZINC000884464501 758369291 /nfs/dbraw/zinc/36/92/91/758369291.db2.gz RFZYREUXYLDQAJ-JTQLQIEISA-N 1 2 268.338 1.442 20 30 CDEDLO CON=CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000809547161 758382798 /nfs/dbraw/zinc/38/27/98/758382798.db2.gz MBESMLCPMZBFFJ-UHFFFAOYSA-N 1 2 267.354 1.025 20 30 CDEDLO Cc1conc1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC000971211669 758401432 /nfs/dbraw/zinc/40/14/32/758401432.db2.gz UWMITVSLNXWCBO-ZYHUDNBSSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1conc1C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC000971211669 758401472 /nfs/dbraw/zinc/40/14/72/758401472.db2.gz UWMITVSLNXWCBO-ZYHUDNBSSA-N 1 2 276.340 1.175 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncoc1C(C)C ZINC001038897833 758436489 /nfs/dbraw/zinc/43/64/89/758436489.db2.gz FTMYELMMFQADGX-LLVKDONJSA-N 1 2 263.341 1.788 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ncoc1C(C)C ZINC001038897833 758436475 /nfs/dbraw/zinc/43/64/75/758436475.db2.gz FTMYELMMFQADGX-LLVKDONJSA-N 1 2 263.341 1.788 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)cc1OC ZINC001038935422 758582212 /nfs/dbraw/zinc/58/22/12/758582212.db2.gz HBJJRLVEXZXATF-ZDUSSCGKSA-N 1 2 272.348 1.441 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)cc1OC ZINC001038935422 758582220 /nfs/dbraw/zinc/58/22/20/758582220.db2.gz HBJJRLVEXZXATF-ZDUSSCGKSA-N 1 2 272.348 1.441 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2ncc[nH]2)CC1 ZINC001000662404 758591823 /nfs/dbraw/zinc/59/18/23/758591823.db2.gz MCBSAMJMTSODPA-UHFFFAOYSA-N 1 2 280.759 1.524 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2ncc[nH]2)CC1 ZINC001000662404 758591831 /nfs/dbraw/zinc/59/18/31/758591831.db2.gz MCBSAMJMTSODPA-UHFFFAOYSA-N 1 2 280.759 1.524 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC13CC3)CO2 ZINC001053937207 758603912 /nfs/dbraw/zinc/60/39/12/758603912.db2.gz AJADPFAEGFPIDZ-QWHCGFSZSA-N 1 2 276.380 1.322 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c(F)ccc(C)c2F)C1 ZINC001030894985 758627373 /nfs/dbraw/zinc/62/73/73/758627373.db2.gz WKLFEQZNVGGCJH-UHFFFAOYSA-N 1 2 278.302 1.711 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cncc(F)c2)C1 ZINC001035330098 758678761 /nfs/dbraw/zinc/67/87/61/758678761.db2.gz LQQKCOKTQKJOIR-CQSZACIVSA-N 1 2 293.342 1.227 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cncc(F)c2)C1 ZINC001035330098 758678767 /nfs/dbraw/zinc/67/87/67/758678767.db2.gz LQQKCOKTQKJOIR-CQSZACIVSA-N 1 2 293.342 1.227 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H](C)c2c(C)noc2C)C1 ZINC001044057664 758736548 /nfs/dbraw/zinc/73/65/48/758736548.db2.gz VKQCOCWTLHQQEQ-NSHDSACASA-N 1 2 289.379 1.561 20 30 CDEDLO N#CCC1CC[NH+](CN2C(=O)c3ccccc3C2=O)CC1 ZINC000781571670 758790553 /nfs/dbraw/zinc/79/05/53/758790553.db2.gz GMRXIACMDAGFJE-UHFFFAOYSA-N 1 2 283.331 1.866 20 30 CDEDLO C=C1CC(C)(C(=O)NC2C[NH+](C[C@@H]3CC[C@@H](C)O3)C2)C1 ZINC001030924684 758830840 /nfs/dbraw/zinc/83/08/40/758830840.db2.gz WRMINXMJMCCQFN-OCCSQVGLSA-N 1 2 278.396 1.711 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2[nH]nc3ccccc32)C1 ZINC001033633816 758831389 /nfs/dbraw/zinc/83/13/89/758831389.db2.gz XVZHVTHYVKZPJN-ZDUSSCGKSA-N 1 2 296.374 1.733 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2[nH]nc3ccccc32)C1 ZINC001033633816 758831390 /nfs/dbraw/zinc/83/13/90/758831390.db2.gz XVZHVTHYVKZPJN-ZDUSSCGKSA-N 1 2 296.374 1.733 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC001038573228 758842577 /nfs/dbraw/zinc/84/25/77/758842577.db2.gz VVOXMBKTNNDARR-CYBMUJFWSA-N 1 2 285.322 1.744 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC001038573228 758842578 /nfs/dbraw/zinc/84/25/78/758842578.db2.gz VVOXMBKTNNDARR-CYBMUJFWSA-N 1 2 285.322 1.744 20 30 CDEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1snnc1C)C2 ZINC001095165060 912543981 /nfs/dbraw/zinc/54/39/81/912543981.db2.gz VUZUZWNCXNYFJD-WOPDTQHZSA-N 1 2 290.392 1.205 20 30 CDEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1snnc1C)C2 ZINC001095165060 912543988 /nfs/dbraw/zinc/54/39/88/912543988.db2.gz VUZUZWNCXNYFJD-WOPDTQHZSA-N 1 2 290.392 1.205 20 30 CDEDLO C#CC[NH2+]C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001106155323 913442416 /nfs/dbraw/zinc/44/24/16/913442416.db2.gz RWFRREHYCGOZPN-OPRDCNLKSA-N 1 2 280.265 1.204 20 30 CDEDLO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C ZINC001106155323 913442420 /nfs/dbraw/zinc/44/24/20/913442420.db2.gz RWFRREHYCGOZPN-OPRDCNLKSA-N 1 2 280.265 1.204 20 30 CDEDLO C=CC[N@H+]1CCC[C@H](NC(=O)c2cnns2)[C@@H]1C ZINC000993100185 913780479 /nfs/dbraw/zinc/78/04/79/913780479.db2.gz YQZCLTIPWZZCSD-UWVGGRQHSA-N 1 2 266.370 1.307 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cnns2)[C@@H]1C ZINC000993100185 913780489 /nfs/dbraw/zinc/78/04/89/913780489.db2.gz YQZCLTIPWZZCSD-UWVGGRQHSA-N 1 2 266.370 1.307 20 30 CDEDLO Cc1ccc(CN2CC[NH2+]CC(F)(F)C2)c(C#N)c1 ZINC001211345626 895692353 /nfs/dbraw/zinc/69/23/53/895692353.db2.gz BQTSFAKXFBDZKH-UHFFFAOYSA-N 1 2 265.307 1.907 20 30 CDEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2cnn(C)c2C)CC1 ZINC001204571762 896120703 /nfs/dbraw/zinc/12/07/03/896120703.db2.gz FLEMYOBVXONBFJ-UHFFFAOYSA-N 1 2 290.367 1.397 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C1CCOCC1 ZINC001267182755 897037326 /nfs/dbraw/zinc/03/73/26/897037326.db2.gz QSXKGXXVSSYGHG-UHFFFAOYSA-N 1 2 260.765 1.214 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C1CCOCC1 ZINC001267182755 897037332 /nfs/dbraw/zinc/03/73/32/897037332.db2.gz QSXKGXXVSSYGHG-UHFFFAOYSA-N 1 2 260.765 1.214 20 30 CDEDLO C=CCn1cc(-n2c(N)[nH+]cc2C(=O)OCC)cn1 ZINC001176541717 914167830 /nfs/dbraw/zinc/16/78/30/914167830.db2.gz ASDUDKBIQDEDTI-UHFFFAOYSA-N 1 2 261.285 1.014 20 30 CDEDLO C=C(Br)C[N@H+](CCC)CCNC(C)=O ZINC001267309233 897554339 /nfs/dbraw/zinc/55/43/39/897554339.db2.gz ITHKMAWKBNQEPV-UHFFFAOYSA-N 1 2 263.179 1.743 20 30 CDEDLO C=C(Br)C[N@@H+](CCC)CCNC(C)=O ZINC001267309233 897554349 /nfs/dbraw/zinc/55/43/49/897554349.db2.gz ITHKMAWKBNQEPV-UHFFFAOYSA-N 1 2 263.179 1.743 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccc[nH]1 ZINC001480960288 898327862 /nfs/dbraw/zinc/32/78/62/898327862.db2.gz BHOBKSWBSCAELK-UHFFFAOYSA-N 1 2 255.749 1.819 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccc[nH]1 ZINC001480960288 898327874 /nfs/dbraw/zinc/32/78/74/898327874.db2.gz BHOBKSWBSCAELK-UHFFFAOYSA-N 1 2 255.749 1.819 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N(C)[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001104597755 898778130 /nfs/dbraw/zinc/77/81/30/898778130.db2.gz YUXYTODMMGBDJJ-NEPJUHHUSA-N 1 2 292.383 1.635 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)COC(C)C)C[C@H]21 ZINC001176962483 914401864 /nfs/dbraw/zinc/40/18/64/914401864.db2.gz JBVJGNBRAKIDET-CABCVRRESA-N 1 2 296.411 1.289 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)COC(C)C)C[C@H]21 ZINC001176962483 914401867 /nfs/dbraw/zinc/40/18/67/914401867.db2.gz JBVJGNBRAKIDET-CABCVRRESA-N 1 2 296.411 1.289 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2cncc(Cl)n2)CC1 ZINC001177227627 914543255 /nfs/dbraw/zinc/54/32/55/914543255.db2.gz FMHAXKOZLJZHDA-UHFFFAOYSA-N 1 2 280.759 1.003 20 30 CDEDLO CN(CC(=O)Nc1ccc(C#N)cc1C#N)c1cccc[nH+]1 ZINC001177412741 914667481 /nfs/dbraw/zinc/66/74/81/914667481.db2.gz IILHKTISNDFIAS-UHFFFAOYSA-N 1 2 291.314 1.900 20 30 CDEDLO C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(F)C(F)(F)F ZINC001226356189 905138229 /nfs/dbraw/zinc/13/82/29/905138229.db2.gz RPJDLMPFYKMBJJ-BBBLOLIVSA-N 1 2 280.265 1.537 20 30 CDEDLO C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](F)C(F)(F)F ZINC001226356189 905138244 /nfs/dbraw/zinc/13/82/44/905138244.db2.gz RPJDLMPFYKMBJJ-BBBLOLIVSA-N 1 2 280.265 1.537 20 30 CDEDLO COCC1C[NH+](Cc2ccc(C#N)c(SC)n2)C1 ZINC001141929409 906128596 /nfs/dbraw/zinc/12/85/96/906128596.db2.gz UPKWUMQGIAIPFA-UHFFFAOYSA-N 1 2 263.366 1.753 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)F)[C@H](O)C1 ZINC001090001370 921306284 /nfs/dbraw/zinc/30/62/84/921306284.db2.gz NGUJDXZIUJAOTQ-VHSXEESVSA-N 1 2 278.755 1.038 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)F)[C@H](O)C1 ZINC001090001370 921306285 /nfs/dbraw/zinc/30/62/85/921306285.db2.gz NGUJDXZIUJAOTQ-VHSXEESVSA-N 1 2 278.755 1.038 20 30 CDEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2nc(C)cs2)C1=O ZINC001272989821 921324181 /nfs/dbraw/zinc/32/41/81/921324181.db2.gz AYLPDXSVFHWZMM-HNNXBMFYSA-N 1 2 289.404 1.652 20 30 CDEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2nc(C)cs2)C1=O ZINC001272989821 921324186 /nfs/dbraw/zinc/32/41/86/921324186.db2.gz AYLPDXSVFHWZMM-HNNXBMFYSA-N 1 2 289.404 1.652 20 30 CDEDLO N=C(Nc1ccn2cc(N)[nH+]c2c1)c1nccs1 ZINC001168279334 908765873 /nfs/dbraw/zinc/76/58/73/908765873.db2.gz OMPZCSFJSSDIIG-UHFFFAOYSA-N 1 2 258.310 1.410 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2C(C)C)[C@@H](O)C1 ZINC001083507768 909508239 /nfs/dbraw/zinc/50/82/39/909508239.db2.gz ZZVMBOLCRPGPNU-CVEARBPZSA-N 1 2 286.375 1.218 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C(C)C)[C@@H](O)C1 ZINC001083507768 909508254 /nfs/dbraw/zinc/50/82/54/909508254.db2.gz ZZVMBOLCRPGPNU-CVEARBPZSA-N 1 2 286.375 1.218 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](C)SC)CC2)C1 ZINC001093508847 909879815 /nfs/dbraw/zinc/87/98/15/909879815.db2.gz DLPCJOHADQLKOD-GFCCVEGCSA-N 1 2 298.452 1.616 20 30 CDEDLO C#CCN1CC[C@@]2(CCCN2c2cc[nH+]c(OC)c2)C1=O ZINC001273585780 921600522 /nfs/dbraw/zinc/60/05/22/921600522.db2.gz UHRHEACDMMZFOS-INIZCTEOSA-N 1 2 285.347 1.295 20 30 CDEDLO N#Cc1ccc(NCCCNC(=O)CCc2c[nH]c[nH+]2)cn1 ZINC001094856063 911043962 /nfs/dbraw/zinc/04/39/62/911043962.db2.gz MSPWCEXLPOVTKJ-UHFFFAOYSA-N 1 2 298.350 1.227 20 30 CDEDLO N#Cc1ccc(NCCCNC(=O)CCc2c[nH+]c[nH]2)cn1 ZINC001094856063 911043981 /nfs/dbraw/zinc/04/39/81/911043981.db2.gz MSPWCEXLPOVTKJ-UHFFFAOYSA-N 1 2 298.350 1.227 20 30 CDEDLO O=C1C=C2C[N@H+](C3C[C@@H]4C=C[C@H](C3)O4)CC[C@@H]2S1 ZINC001172238796 911497663 /nfs/dbraw/zinc/49/76/63/911497663.db2.gz RRHQBKYRYKFSBY-WVMKXHBISA-N 1 2 263.362 1.747 20 30 CDEDLO O=C1C=C2C[N@@H+](C3C[C@@H]4C=C[C@H](C3)O4)CC[C@@H]2S1 ZINC001172238796 911497670 /nfs/dbraw/zinc/49/76/70/911497670.db2.gz RRHQBKYRYKFSBY-WVMKXHBISA-N 1 2 263.362 1.747 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)OCC)C1 ZINC001206170770 911815040 /nfs/dbraw/zinc/81/50/40/911815040.db2.gz QGJBRKWLHDKROJ-YUSALJHKSA-N 1 2 274.792 1.600 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)OCC)C1 ZINC001206170770 911815060 /nfs/dbraw/zinc/81/50/60/911815060.db2.gz QGJBRKWLHDKROJ-YUSALJHKSA-N 1 2 274.792 1.600 20 30 CDEDLO CC(F)(F)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001483623682 911855436 /nfs/dbraw/zinc/85/54/36/911855436.db2.gz IXFPSPBBYXEBJV-CYBMUJFWSA-N 1 2 293.317 1.904 20 30 CDEDLO CC(F)(F)C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001483623682 911855453 /nfs/dbraw/zinc/85/54/53/911855453.db2.gz IXFPSPBBYXEBJV-CYBMUJFWSA-N 1 2 293.317 1.904 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC001172915606 912055277 /nfs/dbraw/zinc/05/52/77/912055277.db2.gz FJYRUWKECPBZMN-VWYCJHECSA-N 1 2 261.387 1.395 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H]([NH2+]Cc2cnsn2)[C@@H]1C ZINC001178577051 915529721 /nfs/dbraw/zinc/52/97/21/915529721.db2.gz MCKGSVOPNPDOOI-AAEUAGOBSA-N 1 2 292.408 1.421 20 30 CDEDLO CC#CC(=O)N1CCc2c(C[N@@H+](C)C(C)C)n[nH]c2C1 ZINC001179750309 915965672 /nfs/dbraw/zinc/96/56/72/915965672.db2.gz JMFPEUBBYIHGNU-UHFFFAOYSA-N 1 2 274.368 1.158 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001179894916 916034721 /nfs/dbraw/zinc/03/47/21/916034721.db2.gz GFAGOVBTGXWLEF-DOMZBBRYSA-N 1 2 269.348 1.588 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001179894916 916034740 /nfs/dbraw/zinc/03/47/40/916034740.db2.gz GFAGOVBTGXWLEF-DOMZBBRYSA-N 1 2 269.348 1.588 20 30 CDEDLO Cc1cc(C#N)c(NC(=O)[C@@H]2C[N@H+](C)CCO2)s1 ZINC001180755513 916605771 /nfs/dbraw/zinc/60/57/71/916605771.db2.gz JXRXRQOLVSOMGA-JTQLQIEISA-N 1 2 265.338 1.197 20 30 CDEDLO Cc1cc(C#N)c(NC(=O)[C@@H]2C[N@@H+](C)CCO2)s1 ZINC001180755513 916605787 /nfs/dbraw/zinc/60/57/87/916605787.db2.gz JXRXRQOLVSOMGA-JTQLQIEISA-N 1 2 265.338 1.197 20 30 CDEDLO C#CCCCC(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001097783442 936375168 /nfs/dbraw/zinc/37/51/68/936375168.db2.gz XZLXTUIHPIGTNI-LLVKDONJSA-N 1 2 260.341 1.505 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nnc(CC)o2)C1 ZINC001181534731 917133190 /nfs/dbraw/zinc/13/31/90/917133190.db2.gz BUTUKDABDPIPRF-VXGBXAGGSA-N 1 2 292.383 1.850 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccns1)O2 ZINC001053607432 936415844 /nfs/dbraw/zinc/41/58/44/936415844.db2.gz UYCHLHHXYSGYBS-NSHDSACASA-N 1 2 293.392 1.292 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001124530917 917423333 /nfs/dbraw/zinc/42/33/33/917423333.db2.gz XCDSJAVUIKQRST-ZDUSSCGKSA-N 1 2 292.383 1.373 20 30 CDEDLO C=CCCC(=O)NCC[NH2+][C@H](C)c1nnc(CC)o1 ZINC001124640890 917511123 /nfs/dbraw/zinc/51/11/23/917511123.db2.gz RWRGNMORVHADON-SNVBAGLBSA-N 1 2 266.345 1.365 20 30 CDEDLO C=CCCC(=O)NCC[NH2+]Cc1nc(CCCC)no1 ZINC001124635872 917514283 /nfs/dbraw/zinc/51/42/83/917514283.db2.gz BRTQNFUYCYURBN-UHFFFAOYSA-N 1 2 280.372 1.584 20 30 CDEDLO C#CCCCCC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001182108743 917660195 /nfs/dbraw/zinc/66/01/95/917660195.db2.gz UVNPPRJWVOCDLX-GFCCVEGCSA-N 1 2 292.408 1.422 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccn(C)n1 ZINC001272734322 917729425 /nfs/dbraw/zinc/72/94/25/917729425.db2.gz VSAVQAAHBFQDBQ-MRXNPFEDSA-N 1 2 286.379 1.010 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccn(C)n1 ZINC001272734322 917729438 /nfs/dbraw/zinc/72/94/38/917729438.db2.gz VSAVQAAHBFQDBQ-MRXNPFEDSA-N 1 2 286.379 1.010 20 30 CDEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001182898233 918208813 /nfs/dbraw/zinc/20/88/13/918208813.db2.gz SCYOPZOBKLGVDR-GFCCVEGCSA-N 1 2 292.383 1.671 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(C)c(F)cc2OC)CC1 ZINC001250113219 918498500 /nfs/dbraw/zinc/49/85/00/918498500.db2.gz LTPGZPRDKZQMCB-UHFFFAOYSA-N 1 2 276.355 1.894 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC2CCCC2)C1 ZINC001107708407 918658020 /nfs/dbraw/zinc/65/80/20/918658020.db2.gz YPKIRUYYZFEHPL-KRWDZBQOSA-N 1 2 292.423 1.797 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CC2CCCC2)C1 ZINC001107708407 918658026 /nfs/dbraw/zinc/65/80/26/918658026.db2.gz YPKIRUYYZFEHPL-KRWDZBQOSA-N 1 2 292.423 1.797 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)CC)C1 ZINC001107752018 918729633 /nfs/dbraw/zinc/72/96/33/918729633.db2.gz NJLYCHWGRKTPRF-OCCSQVGLSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)CC)C1 ZINC001107752018 918729645 /nfs/dbraw/zinc/72/96/45/918729645.db2.gz NJLYCHWGRKTPRF-OCCSQVGLSA-N 1 2 254.374 1.426 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H](C)C(C)C)C1 ZINC001107806406 918805215 /nfs/dbraw/zinc/80/52/15/918805215.db2.gz DMQHTSCRRBELCO-RDJZCZTQSA-N 1 2 294.439 1.899 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H](C)C(C)C)C1 ZINC001107806406 918805218 /nfs/dbraw/zinc/80/52/18/918805218.db2.gz DMQHTSCRRBELCO-RDJZCZTQSA-N 1 2 294.439 1.899 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)CCC)C1 ZINC001107822585 918832501 /nfs/dbraw/zinc/83/25/01/918832501.db2.gz AHCRCOLAPJFWHT-HIFRSBDPSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)CCC)C1 ZINC001107822585 918832515 /nfs/dbraw/zinc/83/25/15/918832515.db2.gz AHCRCOLAPJFWHT-HIFRSBDPSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)n2cccc2)C1 ZINC001107874394 918955589 /nfs/dbraw/zinc/95/55/89/918955589.db2.gz OLUABCSAGZIPHN-GOEBONIOSA-N 1 2 291.395 1.442 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)n2cccc2)C1 ZINC001107874394 918955602 /nfs/dbraw/zinc/95/56/02/918955602.db2.gz OLUABCSAGZIPHN-GOEBONIOSA-N 1 2 291.395 1.442 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CC[C@H](C)OC)C1 ZINC001107887301 918995983 /nfs/dbraw/zinc/99/59/83/918995983.db2.gz VJKDFFLYGBMTQS-GOEBONIOSA-N 1 2 296.411 1.032 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CC[C@H](C)OC)C1 ZINC001107887301 918995990 /nfs/dbraw/zinc/99/59/90/918995990.db2.gz VJKDFFLYGBMTQS-GOEBONIOSA-N 1 2 296.411 1.032 20 30 CDEDLO CCCC#CC(=O)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001184267650 919004130 /nfs/dbraw/zinc/00/41/30/919004130.db2.gz KGIFJDQHKYLZMZ-UHFFFAOYSA-N 1 2 298.346 1.608 20 30 CDEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccon1 ZINC001272756681 919109178 /nfs/dbraw/zinc/10/91/78/919109178.db2.gz GRNCNWRIRHSYLL-OAHLLOKOSA-N 1 2 275.352 1.818 20 30 CDEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccon1 ZINC001272756681 919109185 /nfs/dbraw/zinc/10/91/85/919109185.db2.gz GRNCNWRIRHSYLL-OAHLLOKOSA-N 1 2 275.352 1.818 20 30 CDEDLO N#Cc1cccc(Nc2ccc[nH+]c2N2CCOCC2)n1 ZINC001212352304 919239318 /nfs/dbraw/zinc/23/93/18/919239318.db2.gz UHWYKBYSPCPJMW-UHFFFAOYSA-N 1 2 281.319 1.928 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001077845174 919811215 /nfs/dbraw/zinc/81/12/15/919811215.db2.gz MPWHPNGBNRCAFU-CHWSQXEVSA-N 1 2 294.301 1.032 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001077845174 919811229 /nfs/dbraw/zinc/81/12/29/919811229.db2.gz MPWHPNGBNRCAFU-CHWSQXEVSA-N 1 2 294.301 1.032 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001185950905 919813343 /nfs/dbraw/zinc/81/33/43/919813343.db2.gz GUKNVVBHIOQOLD-GFCCVEGCSA-N 1 2 292.383 1.671 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC2(F)F)C1 ZINC001108017006 919955775 /nfs/dbraw/zinc/95/57/75/919955775.db2.gz LYUBIBUXSZWXGR-YPMHNXCESA-N 1 2 288.338 1.425 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC2(F)F)C1 ZINC001108017006 919955762 /nfs/dbraw/zinc/95/57/62/919955762.db2.gz LYUBIBUXSZWXGR-YPMHNXCESA-N 1 2 288.338 1.425 20 30 CDEDLO C=CCn1cc(CN2CC[NH+](Cc3ccco3)CC2)cn1 ZINC001139770653 936645600 /nfs/dbraw/zinc/64/56/00/936645600.db2.gz VWISGAGVVRJOKE-UHFFFAOYSA-N 1 2 286.379 1.980 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21 ZINC001187192313 920397727 /nfs/dbraw/zinc/39/77/27/920397727.db2.gz WWHKKXFUEJRTBA-UONOGXRCSA-N 1 2 286.379 1.476 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21 ZINC001187192313 920397740 /nfs/dbraw/zinc/39/77/40/920397740.db2.gz WWHKKXFUEJRTBA-UONOGXRCSA-N 1 2 286.379 1.476 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(F)CCCC2)C1 ZINC001108041808 920949915 /nfs/dbraw/zinc/94/99/15/920949915.db2.gz BHONLFFXCRXDOV-HNNXBMFYSA-N 1 2 296.386 1.499 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(F)CCCC2)C1 ZINC001108041808 920949929 /nfs/dbraw/zinc/94/99/29/920949929.db2.gz BHONLFFXCRXDOV-HNNXBMFYSA-N 1 2 296.386 1.499 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(F)cc(OC)c2)CC1 ZINC001140484876 936715062 /nfs/dbraw/zinc/71/50/62/936715062.db2.gz XVOGEBWVUCGWJG-UHFFFAOYSA-N 1 2 262.328 1.585 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccoc2)[C@@H](O)C1 ZINC001090214873 922634369 /nfs/dbraw/zinc/63/43/69/922634369.db2.gz ZVYSJQKBTIENTL-OLZOCXBDSA-N 1 2 298.770 1.126 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccoc2)[C@@H](O)C1 ZINC001090214873 922634377 /nfs/dbraw/zinc/63/43/77/922634377.db2.gz ZVYSJQKBTIENTL-OLZOCXBDSA-N 1 2 298.770 1.126 20 30 CDEDLO Cc1nc(N[C@H](C)CCNC(=O)C#CC2CC2)cc[nH+]1 ZINC001099086533 936778731 /nfs/dbraw/zinc/77/87/31/936778731.db2.gz CTAJDDNHDQNVDN-LLVKDONJSA-N 1 2 272.352 1.505 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CCC)OCC)C1 ZINC001108147259 922773466 /nfs/dbraw/zinc/77/34/66/922773466.db2.gz ZUWZJVVSLNRSBL-HOCLYGCPSA-N 1 2 298.427 1.585 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CCC)OCC)C1 ZINC001108147259 922773484 /nfs/dbraw/zinc/77/34/84/922773484.db2.gz ZUWZJVVSLNRSBL-HOCLYGCPSA-N 1 2 298.427 1.585 20 30 CDEDLO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC001192292750 922997926 /nfs/dbraw/zinc/99/79/26/922997926.db2.gz BUHHQDNBRUGCPX-SNVBAGLBSA-N 1 2 296.321 1.517 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC001192292750 922997933 /nfs/dbraw/zinc/99/79/33/922997933.db2.gz BUHHQDNBRUGCPX-SNVBAGLBSA-N 1 2 296.321 1.517 20 30 CDEDLO C=CCOCC(=O)N[C@H]1CCC[N@H+](Cc2ccns2)C1 ZINC001494312352 923406617 /nfs/dbraw/zinc/40/66/17/923406617.db2.gz DFBDYIXDFQBKNZ-LBPRGKRZSA-N 1 2 295.408 1.426 20 30 CDEDLO C=CCOCC(=O)N[C@H]1CCC[N@@H+](Cc2ccns2)C1 ZINC001494312352 923406625 /nfs/dbraw/zinc/40/66/25/923406625.db2.gz DFBDYIXDFQBKNZ-LBPRGKRZSA-N 1 2 295.408 1.426 20 30 CDEDLO C=CCOC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](CO)C1 ZINC001194287239 924162805 /nfs/dbraw/zinc/16/28/05/924162805.db2.gz UTDFRDGDRPBHOK-HNNXBMFYSA-N 1 2 290.363 1.488 20 30 CDEDLO C=CCOC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](CO)C1 ZINC001194287239 924162808 /nfs/dbraw/zinc/16/28/08/924162808.db2.gz UTDFRDGDRPBHOK-HNNXBMFYSA-N 1 2 290.363 1.488 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccnc2C2CC2)[C@H](OC)C1 ZINC001081896060 924823786 /nfs/dbraw/zinc/82/37/86/924823786.db2.gz OGDOPBJNFMOTOH-HUUCEWRRSA-N 1 2 299.374 1.021 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccnc2C2CC2)[C@H](OC)C1 ZINC001081896060 924823797 /nfs/dbraw/zinc/82/37/97/924823797.db2.gz OGDOPBJNFMOTOH-HUUCEWRRSA-N 1 2 299.374 1.021 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC(C)(C)O)[C@@H]2C1 ZINC001084313012 925225990 /nfs/dbraw/zinc/22/59/90/925225990.db2.gz JMQGPWFOQSADKD-VXGBXAGGSA-N 1 2 286.803 1.433 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC(C)(C)O)[C@@H]2C1 ZINC001084313012 925225992 /nfs/dbraw/zinc/22/59/92/925225992.db2.gz JMQGPWFOQSADKD-VXGBXAGGSA-N 1 2 286.803 1.433 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H]2C1 ZINC001084587711 925295955 /nfs/dbraw/zinc/29/59/55/925295955.db2.gz LEYZXAPJDPGRTE-RGDJUOJXSA-N 1 2 296.798 1.164 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H]2C1 ZINC001084587711 925295965 /nfs/dbraw/zinc/29/59/65/925295965.db2.gz LEYZXAPJDPGRTE-RGDJUOJXSA-N 1 2 296.798 1.164 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ocnc3C3CC3)[C@@H]2C1 ZINC001084659847 925333524 /nfs/dbraw/zinc/33/35/24/925333524.db2.gz DTDKTNYJSGELFB-CHWSQXEVSA-N 1 2 285.347 1.332 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ocnc3C3CC3)[C@@H]2C1 ZINC001084659847 925333533 /nfs/dbraw/zinc/33/35/33/925333533.db2.gz DTDKTNYJSGELFB-CHWSQXEVSA-N 1 2 285.347 1.332 20 30 CDEDLO N#Cc1cnc(C(=O)Nc2ccn3cc[nH+]c3c2)cn1 ZINC001199665931 925799205 /nfs/dbraw/zinc/79/92/05/925799205.db2.gz YPEKUFVRMGTPQZ-UHFFFAOYSA-N 1 2 264.248 1.248 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(Cl)c[nH]1 ZINC001085482754 926045184 /nfs/dbraw/zinc/04/51/84/926045184.db2.gz MFLZHNMZBFTDQN-NSHDSACASA-N 1 2 265.744 1.448 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(Cl)c[nH]1 ZINC001085482754 926045189 /nfs/dbraw/zinc/04/51/89/926045189.db2.gz MFLZHNMZBFTDQN-NSHDSACASA-N 1 2 265.744 1.448 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccn1CC=C ZINC001085641714 926243388 /nfs/dbraw/zinc/24/33/88/926243388.db2.gz VAKCMVLURFZQGV-CQSZACIVSA-N 1 2 271.364 1.454 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccn1CC=C ZINC001085641714 926243394 /nfs/dbraw/zinc/24/33/94/926243394.db2.gz VAKCMVLURFZQGV-CQSZACIVSA-N 1 2 271.364 1.454 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn2cc(C)ccc2n1 ZINC001085667188 926265606 /nfs/dbraw/zinc/26/56/06/926265606.db2.gz CJGBAYGDHWRTCV-AWEZNQCLSA-N 1 2 296.374 1.422 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn2cc(C)ccc2n1 ZINC001085667188 926265611 /nfs/dbraw/zinc/26/56/11/926265611.db2.gz CJGBAYGDHWRTCV-AWEZNQCLSA-N 1 2 296.374 1.422 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2ncccc2o1 ZINC001085727725 926330015 /nfs/dbraw/zinc/33/00/15/926330015.db2.gz GEZCOSQUZVYFET-CYBMUJFWSA-N 1 2 297.358 1.997 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2ncccc2o1 ZINC001085727725 926330024 /nfs/dbraw/zinc/33/00/24/926330024.db2.gz GEZCOSQUZVYFET-CYBMUJFWSA-N 1 2 297.358 1.997 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C2CC2)on1 ZINC001085749045 926348961 /nfs/dbraw/zinc/34/89/61/926348961.db2.gz WXQLBGAWYVXZPK-LBPRGKRZSA-N 1 2 273.336 1.332 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C2CC2)on1 ZINC001085749045 926348971 /nfs/dbraw/zinc/34/89/71/926348971.db2.gz WXQLBGAWYVXZPK-LBPRGKRZSA-N 1 2 273.336 1.332 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@H+]2[C@@H](C)C(=O)OCC)C1=O ZINC001273906744 926408324 /nfs/dbraw/zinc/40/83/24/926408324.db2.gz IVZZMBBQDIPCSK-SWLSCSKDSA-N 1 2 280.368 1.191 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@@H+]2[C@@H](C)C(=O)OCC)C1=O ZINC001273906744 926408329 /nfs/dbraw/zinc/40/83/29/926408329.db2.gz IVZZMBBQDIPCSK-SWLSCSKDSA-N 1 2 280.368 1.191 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(C)C)no1 ZINC001085854036 926457409 /nfs/dbraw/zinc/45/74/09/926457409.db2.gz OHWMTSHTUKRNFV-CYBMUJFWSA-N 1 2 289.379 1.968 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(C)C)no1 ZINC001085854036 926457412 /nfs/dbraw/zinc/45/74/12/926457412.db2.gz OHWMTSHTUKRNFV-CYBMUJFWSA-N 1 2 289.379 1.968 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)cc2cn[nH]c21 ZINC001085873917 926469332 /nfs/dbraw/zinc/46/93/32/926469332.db2.gz MSEPOWNYFPSYJX-CQSZACIVSA-N 1 2 296.374 1.651 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)cc2cn[nH]c21 ZINC001085873917 926469338 /nfs/dbraw/zinc/46/93/38/926469338.db2.gz MSEPOWNYFPSYJX-CQSZACIVSA-N 1 2 296.374 1.651 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)cc2c[nH]nc21 ZINC001085873917 926469343 /nfs/dbraw/zinc/46/93/43/926469343.db2.gz MSEPOWNYFPSYJX-CQSZACIVSA-N 1 2 296.374 1.651 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)cc2c[nH]nc21 ZINC001085873917 926469348 /nfs/dbraw/zinc/46/93/48/926469348.db2.gz MSEPOWNYFPSYJX-CQSZACIVSA-N 1 2 296.374 1.651 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnoc1C(C)C ZINC001085906088 926497638 /nfs/dbraw/zinc/49/76/38/926497638.db2.gz ZNYPDAYLAYNNEO-ZDUSSCGKSA-N 1 2 289.379 1.968 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnoc1C(C)C ZINC001085906088 926497645 /nfs/dbraw/zinc/49/76/45/926497645.db2.gz ZNYPDAYLAYNNEO-ZDUSSCGKSA-N 1 2 289.379 1.968 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(Cl)cn1 ZINC001085935351 926522317 /nfs/dbraw/zinc/52/23/17/926522317.db2.gz CJLPFMFLSNFHCT-LBPRGKRZSA-N 1 2 277.755 1.515 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(Cl)cn1 ZINC001085935351 926522326 /nfs/dbraw/zinc/52/23/26/926522326.db2.gz CJLPFMFLSNFHCT-LBPRGKRZSA-N 1 2 277.755 1.515 20 30 CDEDLO CCN(C(=O)[C@H](C)C#N)[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102786583 937089052 /nfs/dbraw/zinc/08/90/52/937089052.db2.gz FQKAZECPHNBTIE-DGCLKSJQSA-N 1 2 287.367 1.372 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc3cc(O)ccc3[nH]2)CC1 ZINC001149503149 937186088 /nfs/dbraw/zinc/18/60/88/937186088.db2.gz CALJKPRPPVDKGW-UHFFFAOYSA-N 1 2 285.347 1.817 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc3c(C#N)c[nH]c3c2)C[NH2+]1 ZINC001169132527 927746302 /nfs/dbraw/zinc/74/63/02/927746302.db2.gz PFLYMQRUSRLSGH-RISCZKNCSA-N 1 2 284.319 1.355 20 30 CDEDLO CO/N=C/c1cc(NC[C@H]2COCC[N@@H+]2C)cc(F)c1F ZINC001169659061 928300772 /nfs/dbraw/zinc/30/07/72/928300772.db2.gz AGIQYEGYXUYMQL-KXKLRXOYSA-N 1 2 299.321 1.688 20 30 CDEDLO CO/N=C/c1cc(NC[C@H]2COCC[N@H+]2C)cc(F)c1F ZINC001169659061 928300774 /nfs/dbraw/zinc/30/07/74/928300774.db2.gz AGIQYEGYXUYMQL-KXKLRXOYSA-N 1 2 299.321 1.688 20 30 CDEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H](C)CCC)CC2=O)C1 ZINC001108527336 928343090 /nfs/dbraw/zinc/34/30/90/928343090.db2.gz HMOMZAPJHAKAHY-QWHCGFSZSA-N 1 2 293.411 1.010 20 30 CDEDLO Cc1nc(N(C)C[C@@H](C)NC(=O)[C@H](C)C#N)c(C)c(C)[nH+]1 ZINC001108881060 928691443 /nfs/dbraw/zinc/69/14/43/928691443.db2.gz WNWWUTUMEQHNAC-NXEZZACHSA-N 1 2 289.383 1.502 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)CSCCC)CC1 ZINC001112654462 929291855 /nfs/dbraw/zinc/29/18/55/929291855.db2.gz ZHQRSWFHLBRTQG-UHFFFAOYSA-N 1 2 256.415 1.850 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001134410546 929734288 /nfs/dbraw/zinc/73/42/88/929734288.db2.gz XCLQYROTBUERIP-UHFFFAOYSA-N 1 2 276.384 1.593 20 30 CDEDLO C#CC[N@H+](CC1CC1)CN1C(=O)N[C@](CC)(C(C)C)C1=O ZINC001116371896 937445016 /nfs/dbraw/zinc/44/50/16/937445016.db2.gz BYORUEMCDMGLFF-MRXNPFEDSA-N 1 2 291.395 1.646 20 30 CDEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)N[C@](CC)(C(C)C)C1=O ZINC001116371896 937445019 /nfs/dbraw/zinc/44/50/19/937445019.db2.gz BYORUEMCDMGLFF-MRXNPFEDSA-N 1 2 291.395 1.646 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccco2)[C@@H](O)C1 ZINC001090659279 931265938 /nfs/dbraw/zinc/26/59/38/931265938.db2.gz FRKZCJSUKWZJFE-OLZOCXBDSA-N 1 2 298.770 1.126 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccco2)[C@@H](O)C1 ZINC001090659279 931265945 /nfs/dbraw/zinc/26/59/45/931265945.db2.gz FRKZCJSUKWZJFE-OLZOCXBDSA-N 1 2 298.770 1.126 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnc3cc(C)ccn23)CC1 ZINC001136891706 931455205 /nfs/dbraw/zinc/45/52/05/931455205.db2.gz ZMHWULRXWGLXEM-UHFFFAOYSA-N 1 2 268.364 1.394 20 30 CDEDLO C[N@@H+]1CCc2nc(C(=O)N3C[C@@H](F)C[C@H]3C#N)sc2C1 ZINC001154219237 937518023 /nfs/dbraw/zinc/51/80/23/937518023.db2.gz RTCROBKDZFHTOU-IUCAKERBSA-N 1 2 294.355 1.207 20 30 CDEDLO C[N@H+]1CCc2nc(C(=O)N3C[C@@H](F)C[C@H]3C#N)sc2C1 ZINC001154219237 937518026 /nfs/dbraw/zinc/51/80/26/937518026.db2.gz RTCROBKDZFHTOU-IUCAKERBSA-N 1 2 294.355 1.207 20 30 CDEDLO C[C@@H](C#N)NC(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC001154292350 937526288 /nfs/dbraw/zinc/52/62/88/937526288.db2.gz VAZQNCXZAVWWJR-NSHDSACASA-N 1 2 266.304 1.889 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)(C#N)CC1 ZINC001118314020 937615405 /nfs/dbraw/zinc/61/54/05/937615405.db2.gz KNUCJDXCAUPFKU-NSHDSACASA-N 1 2 260.341 1.741 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C)(C#N)CC1 ZINC001118314020 937615407 /nfs/dbraw/zinc/61/54/07/937615407.db2.gz KNUCJDXCAUPFKU-NSHDSACASA-N 1 2 260.341 1.741 20 30 CDEDLO C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC001148623989 932763911 /nfs/dbraw/zinc/76/39/11/932763911.db2.gz JXJZVEJIDQPYOD-IUODEOHRSA-N 1 2 287.363 1.374 20 30 CDEDLO C[C@H](C#N)c1cccc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001148623989 932763916 /nfs/dbraw/zinc/76/39/16/932763916.db2.gz JXJZVEJIDQPYOD-IUODEOHRSA-N 1 2 287.363 1.374 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](N)C2)cc1 ZINC001206654811 937654593 /nfs/dbraw/zinc/65/45/93/937654593.db2.gz DNIUWFCXPGKUMQ-LBPRGKRZSA-N 1 2 251.280 1.727 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC(F)(F)[C@@H](N)C2)cc1 ZINC001206654811 937654594 /nfs/dbraw/zinc/65/45/94/937654594.db2.gz DNIUWFCXPGKUMQ-LBPRGKRZSA-N 1 2 251.280 1.727 20 30 CDEDLO C#CCCOC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001118815110 937669528 /nfs/dbraw/zinc/66/95/28/937669528.db2.gz IRXVBWRAQPEOTH-ZDUSSCGKSA-N 1 2 275.352 1.835 20 30 CDEDLO Cc1nc(N[C@H]2C[C@H](NC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001097025102 936258669 /nfs/dbraw/zinc/25/86/69/936258669.db2.gz MOKIPQPIXDVTIR-JOCQHMNTSA-N 1 2 270.336 1.258 20 30 CDEDLO C=C(C)CCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC001120647603 937821752 /nfs/dbraw/zinc/82/17/52/937821752.db2.gz HGCRXYUWSNOPEQ-ZIAGYGMSSA-N 1 2 266.385 1.664 20 30 CDEDLO C=C1CCN(c2nnc(C[NH+]3CCCCC3)n2C)CC1 ZINC001121405548 937870556 /nfs/dbraw/zinc/87/05/56/937870556.db2.gz YPSFHCWSQVEGSG-UHFFFAOYSA-N 1 2 275.400 1.957 20 30 CDEDLO Cc1cc(N2CC[NH2+]C[C@@H]2C#N)nc2ccccc12 ZINC001156320015 938351485 /nfs/dbraw/zinc/35/14/85/938351485.db2.gz MGYOYXWCUOZNSF-LBPRGKRZSA-N 1 2 252.321 1.845 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@H](F)Oc1ccc(Cl)nc1 ZINC001156320198 938351514 /nfs/dbraw/zinc/35/15/14/938351514.db2.gz UENLNRPXTYOSDW-KWQFWETISA-N 1 2 270.695 1.164 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001156543142 938381632 /nfs/dbraw/zinc/38/16/32/938381632.db2.gz DVKSAHWAJLIVBD-AAEUAGOBSA-N 1 2 263.341 1.570 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001156543142 938381635 /nfs/dbraw/zinc/38/16/35/938381635.db2.gz DVKSAHWAJLIVBD-AAEUAGOBSA-N 1 2 263.341 1.570 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc3[nH]nc(N)c32)CC1 ZINC001156741613 938413105 /nfs/dbraw/zinc/41/31/05/938413105.db2.gz QKLZIBSYBNMBGL-UHFFFAOYSA-N 1 2 285.351 1.089 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnn3cccc(F)c23)CC1 ZINC001156914903 938433554 /nfs/dbraw/zinc/43/35/54/938433554.db2.gz VUDGQGSIBGDNMW-UHFFFAOYSA-N 1 2 288.326 1.417 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc3c(C#N)c[nH]c32)C1 ZINC001157171624 938461819 /nfs/dbraw/zinc/46/18/19/938461819.db2.gz NHKLDBULWNIBIZ-LBPRGKRZSA-N 1 2 298.346 1.100 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2cccc3c(C#N)c[nH]c32)C1 ZINC001157171624 938461820 /nfs/dbraw/zinc/46/18/20/938461820.db2.gz NHKLDBULWNIBIZ-LBPRGKRZSA-N 1 2 298.346 1.100 20 30 CDEDLO CCN(c1nc2c(cc1C#N)COCC2)C1C[NH+](C)C1 ZINC001157462080 938496782 /nfs/dbraw/zinc/49/67/82/938496782.db2.gz ZMMTVKZGGHXQQD-UHFFFAOYSA-N 1 2 272.352 1.166 20 30 CDEDLO C#CCN(CC#C)c1[nH+]cc(C)cc1/C=C/C(=O)OC ZINC001157562143 938512138 /nfs/dbraw/zinc/51/21/38/938512138.db2.gz BOKCEKYHJNPGPA-BQYQJAHWSA-N 1 2 268.316 1.649 20 30 CDEDLO CN1C[C@@H](CNc2[nH+]ccc3ccc(C#N)cc32)CC1=O ZINC001157904660 938559534 /nfs/dbraw/zinc/55/95/34/938559534.db2.gz GTSSKDVZIHIXCU-GFCCVEGCSA-N 1 2 280.331 1.997 20 30 CDEDLO COCC#CC(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC001161261672 938883398 /nfs/dbraw/zinc/88/33/98/938883398.db2.gz WPNRNMNLMHLJGH-UHFFFAOYSA-N 1 2 269.304 1.973 20 30 CDEDLO CCOC(=O)[C@H]([NH3+])CNc1nc(C)c(C#N)cc1Cl ZINC001161950474 938947126 /nfs/dbraw/zinc/94/71/26/938947126.db2.gz HYMKRPHWUJOCQY-SNVBAGLBSA-N 1 2 282.731 1.217 20 30 CDEDLO C=C(C)CNc1cc(N2CCC(C(=O)OC)CC2)nc[nH+]1 ZINC001163373904 939258725 /nfs/dbraw/zinc/25/87/25/939258725.db2.gz AXUXGPYSZGOUDZ-UHFFFAOYSA-N 1 2 290.367 1.854 20 30 CDEDLO C=C(C)CNc1cc(N2CCC(C(=O)OC)CC2)[nH+]cn1 ZINC001163373904 939258727 /nfs/dbraw/zinc/25/87/27/939258727.db2.gz AXUXGPYSZGOUDZ-UHFFFAOYSA-N 1 2 290.367 1.854 20 30 CDEDLO Cc1cnc(N2CC[NH2+]CC(F)(F)C2)c(/C=N/O)c1 ZINC001164498005 939479392 /nfs/dbraw/zinc/47/93/92/939479392.db2.gz NHPKARYXQOMPFN-UBKPWBPPSA-N 1 2 270.283 1.243 20 30 CDEDLO CN(C)C(=O)C1CN(c2[nH+]ccc3ccc(C#N)cc32)C1 ZINC001166738518 939633805 /nfs/dbraw/zinc/63/38/05/939633805.db2.gz MNUQIUUFOIXVBH-UHFFFAOYSA-N 1 2 280.331 1.631 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c(OC)cccc2OC)CC1 ZINC001204251566 939747852 /nfs/dbraw/zinc/74/78/52/939747852.db2.gz AASRNKFCYWQICK-UHFFFAOYSA-N 1 2 274.364 1.455 20 30 CDEDLO C#CCN1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001204251566 939747853 /nfs/dbraw/zinc/74/78/53/939747853.db2.gz AASRNKFCYWQICK-UHFFFAOYSA-N 1 2 274.364 1.455 20 30 CDEDLO CC(=O)N1CC[N@H+](C[C@H](O)c2cccc(C#N)c2)[C@@H](C)C1 ZINC001473221853 970769536 /nfs/dbraw/zinc/76/95/36/970769536.db2.gz DHVKASRDIIVTEL-LRDDRELGSA-N 1 2 287.363 1.144 20 30 CDEDLO CC(=O)N1CC[N@@H+](C[C@H](O)c2cccc(C#N)c2)[C@@H](C)C1 ZINC001473221853 970769543 /nfs/dbraw/zinc/76/95/43/970769543.db2.gz DHVKASRDIIVTEL-LRDDRELGSA-N 1 2 287.363 1.144 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](OC)C(C)C)C1 ZINC001208500234 940336119 /nfs/dbraw/zinc/33/61/19/940336119.db2.gz KJBUZKUJDBEPIQ-RTXFEEFZSA-N 1 2 288.819 1.846 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](OC)C(C)C)C1 ZINC001208500234 940336123 /nfs/dbraw/zinc/33/61/23/940336123.db2.gz KJBUZKUJDBEPIQ-RTXFEEFZSA-N 1 2 288.819 1.846 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc3c(cn2)OCCC3)CC1 ZINC001209508526 940598022 /nfs/dbraw/zinc/59/80/22/940598022.db2.gz PSJJZRWQIGYGSH-UHFFFAOYSA-N 1 2 271.364 1.157 20 30 CDEDLO C=C[C@H](C#CC(C)(C)C)OCC[NH+]1CCOCC1 ZINC001210224834 940672353 /nfs/dbraw/zinc/67/23/53/940672353.db2.gz JHRNFQWMODHHLF-CQSZACIVSA-N 1 2 251.370 1.939 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(F)(F)F)[C@H](OC)C1 ZINC001213759395 940785383 /nfs/dbraw/zinc/78/53/83/940785383.db2.gz JQHJTLIFAFGZRF-NXEZZACHSA-N 1 2 292.301 1.024 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C(F)(F)F)[C@H](OC)C1 ZINC001213759395 940785386 /nfs/dbraw/zinc/78/53/86/940785386.db2.gz JQHJTLIFAFGZRF-NXEZZACHSA-N 1 2 292.301 1.024 20 30 CDEDLO COc1ccc(OC)c(/C(=N/O)O[C@@H]2CCC[NH2+]C2)c1 ZINC001217855164 941024491 /nfs/dbraw/zinc/02/44/91/941024491.db2.gz DJHNPEVSPAIISQ-QSJBWMMGSA-N 1 2 280.324 1.608 20 30 CDEDLO CC[NH+]1CC(OCc2nc(-c3ccnc(C#N)c3)no2)C1 ZINC001222807223 941635181 /nfs/dbraw/zinc/63/51/81/941635181.db2.gz XTDGGHDJYSRFKE-UHFFFAOYSA-N 1 2 285.307 1.224 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(F)cc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225311801 941842052 /nfs/dbraw/zinc/84/20/52/941842052.db2.gz IYMCZCKCEBTCJK-LSVRBPJHSA-N 1 2 267.275 1.956 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(F)cc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225311801 941842055 /nfs/dbraw/zinc/84/20/55/941842055.db2.gz IYMCZCKCEBTCJK-LSVRBPJHSA-N 1 2 267.275 1.956 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(O)cc(O)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225365549 941849271 /nfs/dbraw/zinc/84/92/71/941849271.db2.gz HFCWJYDIXWRDMB-KLLCGCCRSA-N 1 2 263.293 1.089 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(O)cc(O)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225365549 941849276 /nfs/dbraw/zinc/84/92/76/941849276.db2.gz HFCWJYDIXWRDMB-KLLCGCCRSA-N 1 2 263.293 1.089 20 30 CDEDLO Cc1cccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC001225635334 941892123 /nfs/dbraw/zinc/89/21/23/941892123.db2.gz FFCFKJVIKIGZOQ-RBRDRRMGSA-N 1 2 290.319 1.894 20 30 CDEDLO Cc1cccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC001225635334 941892126 /nfs/dbraw/zinc/89/21/26/941892126.db2.gz FFCFKJVIKIGZOQ-RBRDRRMGSA-N 1 2 290.319 1.894 20 30 CDEDLO Cc1c(C#N)cccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001228027957 942259639 /nfs/dbraw/zinc/25/96/39/942259639.db2.gz UDBPJEOMVPLFQB-NQPNPBMCSA-N 1 2 270.332 1.858 20 30 CDEDLO Cc1c(C#N)cccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001228027957 942259643 /nfs/dbraw/zinc/25/96/43/942259643.db2.gz UDBPJEOMVPLFQB-NQPNPBMCSA-N 1 2 270.332 1.858 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Oc1ncnc2ccc(C#N)cc21 ZINC001229104431 942419612 /nfs/dbraw/zinc/41/96/12/942419612.db2.gz RTWCEQJZVMFEIU-GFCCVEGCSA-N 1 2 298.346 1.601 20 30 CDEDLO COCc1ccccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001229256037 942440373 /nfs/dbraw/zinc/44/03/73/942440373.db2.gz TZXNLUHOYMKTQM-NQPNPBMCSA-N 1 2 275.348 1.824 20 30 CDEDLO COCc1ccccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001229256037 942440375 /nfs/dbraw/zinc/44/03/75/942440375.db2.gz TZXNLUHOYMKTQM-NQPNPBMCSA-N 1 2 275.348 1.824 20 30 CDEDLO CNC(=O)c1ccccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001229317950 942451116 /nfs/dbraw/zinc/45/11/16/942451116.db2.gz QKPRSXYYVPEQIV-HJTUNCCVSA-N 1 2 288.347 1.037 20 30 CDEDLO CNC(=O)c1ccccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001229317950 942451120 /nfs/dbraw/zinc/45/11/20/942451120.db2.gz QKPRSXYYVPEQIV-HJTUNCCVSA-N 1 2 288.347 1.037 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2c[nH]ccc2=O)C1 ZINC001229511828 942484324 /nfs/dbraw/zinc/48/43/24/942484324.db2.gz GSSVLXZWPJXPRT-OAHLLOKOSA-N 1 2 295.342 1.900 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2c[nH]ccc2=O)C1 ZINC001229511828 942484327 /nfs/dbraw/zinc/48/43/27/942484327.db2.gz GSSVLXZWPJXPRT-OAHLLOKOSA-N 1 2 295.342 1.900 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccc(O)c(C(=O)OC)c1 ZINC001231418833 942883895 /nfs/dbraw/zinc/88/38/95/942883895.db2.gz RRKKXDONFMGAKP-UHFFFAOYSA-N 1 2 257.289 1.247 20 30 CDEDLO C[N@H+](C1CC1)[C@@H]1CCN(Cc2cc(C#N)ccc2O)C1 ZINC001232678058 943358037 /nfs/dbraw/zinc/35/80/37/943358037.db2.gz PADIANMMWNFRHQ-OAHLLOKOSA-N 1 2 271.364 1.932 20 30 CDEDLO C[N@@H+](C1CC1)[C@@H]1CCN(Cc2cc(C#N)ccc2O)C1 ZINC001232678058 943358041 /nfs/dbraw/zinc/35/80/41/943358041.db2.gz PADIANMMWNFRHQ-OAHLLOKOSA-N 1 2 271.364 1.932 20 30 CDEDLO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232678779 943358482 /nfs/dbraw/zinc/35/84/82/943358482.db2.gz PJDZOQWVCZXPCI-ZDUSSCGKSA-N 1 2 274.320 1.791 20 30 CDEDLO COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232678779 943358486 /nfs/dbraw/zinc/35/84/86/943358486.db2.gz PJDZOQWVCZXPCI-ZDUSSCGKSA-N 1 2 274.320 1.791 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c1 ZINC001232679008 943360532 /nfs/dbraw/zinc/36/05/32/943360532.db2.gz YHPIYLXCFIYFHF-HNNXBMFYSA-N 1 2 287.319 1.338 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)c1 ZINC001232679008 943360536 /nfs/dbraw/zinc/36/05/36/943360536.db2.gz YHPIYLXCFIYFHF-HNNXBMFYSA-N 1 2 287.319 1.338 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232679092 943363077 /nfs/dbraw/zinc/36/30/77/943363077.db2.gz ZYRPOMJMWNCAGO-BXUZGUMPSA-N 1 2 288.347 1.895 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232679092 943363082 /nfs/dbraw/zinc/36/30/82/943363082.db2.gz ZYRPOMJMWNCAGO-BXUZGUMPSA-N 1 2 288.347 1.895 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2C(N)=O)c1 ZINC001232679200 943363205 /nfs/dbraw/zinc/36/32/05/943363205.db2.gz GWEIZKAJHFDFLO-GFCCVEGCSA-N 1 2 259.309 1.104 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2C(N)=O)c1 ZINC001232679200 943363210 /nfs/dbraw/zinc/36/32/10/943363210.db2.gz GWEIZKAJHFDFLO-GFCCVEGCSA-N 1 2 259.309 1.104 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(C(C)(C)O)nc2)CC1 ZINC001232831451 943410996 /nfs/dbraw/zinc/41/09/96/943410996.db2.gz PJODREKRTJUJNF-UHFFFAOYSA-N 1 2 273.380 1.060 20 30 CDEDLO C#CCN1CC[NH+](Cc2ccc(C(C)(C)O)nc2)CC1 ZINC001232831451 943410999 /nfs/dbraw/zinc/41/09/99/943410999.db2.gz PJODREKRTJUJNF-UHFFFAOYSA-N 1 2 273.380 1.060 20 30 CDEDLO N#CCCN1CC[NH+](Cc2ccc(N)cc2Cl)CC1 ZINC001233376200 943564752 /nfs/dbraw/zinc/56/47/52/943564752.db2.gz WDBFPEZRDKXBCN-UHFFFAOYSA-N 1 2 278.787 1.953 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cn3ccc(Cl)cc3n2)CC1 ZINC001233392083 943575057 /nfs/dbraw/zinc/57/50/57/943575057.db2.gz KHSIARFYZGEVEU-UHFFFAOYSA-N 1 2 288.782 1.739 20 30 CDEDLO C=C(C)CCC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001262637484 943652955 /nfs/dbraw/zinc/65/29/55/943652955.db2.gz UZAQMSCNADCTOL-UHFFFAOYSA-N 1 2 279.428 1.581 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3C[C@H]3C)n2CC)CC1 ZINC001263042738 943726692 /nfs/dbraw/zinc/72/66/92/943726692.db2.gz OWYWULAHBPLJSX-CHWSQXEVSA-N 1 2 273.384 1.177 20 30 CDEDLO COc1cc(CN2CCOC[C@H]2C#N)ccc1-n1cc[nH+]c1 ZINC001234075890 943733232 /nfs/dbraw/zinc/73/32/32/943733232.db2.gz PPKJMEAAYHNJPV-CQSZACIVSA-N 1 2 298.346 1.605 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc4c3CC(=O)N4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234114648 943744769 /nfs/dbraw/zinc/74/47/69/943744769.db2.gz JCVNYNRMIQIKQX-WPRNNWHFSA-N 1 2 286.331 1.172 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc4c3CC(=O)N4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234114648 943744771 /nfs/dbraw/zinc/74/47/71/943744771.db2.gz JCVNYNRMIQIKQX-WPRNNWHFSA-N 1 2 286.331 1.172 20 30 CDEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccn1)C(=O)C#CC1CC1 ZINC001234178934 943766905 /nfs/dbraw/zinc/76/69/05/943766905.db2.gz QTUMMORDEWBKET-MRXNPFEDSA-N 1 2 283.375 1.528 20 30 CDEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccn1)C(=O)C#CC1CC1 ZINC001234178934 943766909 /nfs/dbraw/zinc/76/69/09/943766909.db2.gz QTUMMORDEWBKET-MRXNPFEDSA-N 1 2 283.375 1.528 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001234554064 943891807 /nfs/dbraw/zinc/89/18/07/943891807.db2.gz DFLFFQWEVLPZDN-CHWSQXEVSA-N 1 2 295.427 1.256 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001234554064 943891817 /nfs/dbraw/zinc/89/18/17/943891817.db2.gz DFLFFQWEVLPZDN-CHWSQXEVSA-N 1 2 295.427 1.256 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nc(C)c(C)o1 ZINC001263849125 944002665 /nfs/dbraw/zinc/00/26/65/944002665.db2.gz WIASFUIZEVUYAZ-LBPRGKRZSA-N 1 2 261.325 1.005 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nc(C)c(C)o1 ZINC001263849125 944002668 /nfs/dbraw/zinc/00/26/68/944002668.db2.gz WIASFUIZEVUYAZ-LBPRGKRZSA-N 1 2 261.325 1.005 20 30 CDEDLO C[C@H]1CCN(C(=O)c2ccc(C#N)n2C)C[C@@H]1n1cc[nH+]c1 ZINC001362236441 971054096 /nfs/dbraw/zinc/05/40/96/971054096.db2.gz MWIPHXZPNFDCSH-WFASDCNBSA-N 1 2 297.362 1.817 20 30 CDEDLO Cc1ncsc1C[NH+]1CC2(CN(CCCC#N)C2)C1 ZINC001277943016 944148434 /nfs/dbraw/zinc/14/84/34/944148434.db2.gz KBVJHRYAZWCLDX-UHFFFAOYSA-N 1 2 276.409 1.873 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1coc(C)n1 ZINC001235452179 944160274 /nfs/dbraw/zinc/16/02/74/944160274.db2.gz WGXNWTKNADJEPY-UHFFFAOYSA-N 1 2 265.357 1.887 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1coc(C)n1 ZINC001235452179 944160277 /nfs/dbraw/zinc/16/02/77/944160277.db2.gz WGXNWTKNADJEPY-UHFFFAOYSA-N 1 2 265.357 1.887 20 30 CDEDLO C[N@H+](CCN1CCOCC1)Cc1cc(C#N)c(F)cc1F ZINC001237524635 944825142 /nfs/dbraw/zinc/82/51/42/944825142.db2.gz LBPKETKKRCVEGH-UHFFFAOYSA-N 1 2 295.333 1.600 20 30 CDEDLO C[N@@H+](CCN1CCOCC1)Cc1cc(C#N)c(F)cc1F ZINC001237524635 944825150 /nfs/dbraw/zinc/82/51/50/944825150.db2.gz LBPKETKKRCVEGH-UHFFFAOYSA-N 1 2 295.333 1.600 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cncn2CC)C1 ZINC001237593550 944863765 /nfs/dbraw/zinc/86/37/65/944863765.db2.gz KZBXJXSHOKLZBT-CYBMUJFWSA-N 1 2 292.383 1.780 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cncn2CC)C1 ZINC001237593550 944863771 /nfs/dbraw/zinc/86/37/71/944863771.db2.gz KZBXJXSHOKLZBT-CYBMUJFWSA-N 1 2 292.383 1.780 20 30 CDEDLO C[C@H](O)c1ncc(C[N@@H+]2CC[C@](O)(CC#N)C2)s1 ZINC001261494271 946142027 /nfs/dbraw/zinc/14/20/27/946142027.db2.gz KPUUZJTYJIMZEK-JOYOIKCWSA-N 1 2 267.354 1.047 20 30 CDEDLO C[C@H](O)c1ncc(C[N@H+]2CC[C@](O)(CC#N)C2)s1 ZINC001261494271 946142032 /nfs/dbraw/zinc/14/20/32/946142032.db2.gz KPUUZJTYJIMZEK-JOYOIKCWSA-N 1 2 267.354 1.047 20 30 CDEDLO Cc1[nH]c(CNC(=O)c2cccc(F)c2C#N)[nH+]c1C ZINC001362417278 971249268 /nfs/dbraw/zinc/24/92/68/971249268.db2.gz FHWGHRFSOLNRIU-UHFFFAOYSA-N 1 2 272.283 1.967 20 30 CDEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCN(C3CCOCC3)C(=O)C2)C1 ZINC001254671457 947586875 /nfs/dbraw/zinc/58/68/75/947586875.db2.gz RWRJEXAPYMZVPB-GXTWGEPZSA-N 1 2 277.368 1.002 20 30 CDEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCN(C3CCOCC3)C(=O)C2)C1 ZINC001254671457 947586881 /nfs/dbraw/zinc/58/68/81/947586881.db2.gz RWRJEXAPYMZVPB-GXTWGEPZSA-N 1 2 277.368 1.002 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@H](Oc2ncc(OC)cn2)C1 ZINC001255177255 947766951 /nfs/dbraw/zinc/76/69/51/947766951.db2.gz OWHPQUAHOIQDHT-RYUDHWBXSA-N 1 2 276.340 1.631 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CC[C@H](Oc2ncc(OC)cn2)C1 ZINC001255177255 947766955 /nfs/dbraw/zinc/76/69/55/947766955.db2.gz OWHPQUAHOIQDHT-RYUDHWBXSA-N 1 2 276.340 1.631 20 30 CDEDLO C=CC[C@@H]([NH2+]C1CCN(C(=O)OC)CC1)C(=O)OCC ZINC001255854895 948114273 /nfs/dbraw/zinc/11/42/73/948114273.db2.gz WUJLWLJYWIEKBU-GFCCVEGCSA-N 1 2 284.356 1.315 20 30 CDEDLO CC(C)(C)n1cc(C[NH+]2CCC(S)CC2)nn1 ZINC001249483497 949639034 /nfs/dbraw/zinc/63/90/34/949639034.db2.gz UQFNXRFICJARJH-UHFFFAOYSA-N 1 2 254.403 1.927 20 30 CDEDLO C#CCOC[C@H](O)C[N@@H+]1CCc2ncc(Cl)cc2C1 ZINC001251854557 950871899 /nfs/dbraw/zinc/87/18/99/950871899.db2.gz GTGQWQMGYXYJAS-CYBMUJFWSA-N 1 2 280.755 1.104 20 30 CDEDLO C#CCOC[C@H](O)C[N@H+]1CCc2ncc(Cl)cc2C1 ZINC001251854557 950871913 /nfs/dbraw/zinc/87/19/13/950871913.db2.gz GTGQWQMGYXYJAS-CYBMUJFWSA-N 1 2 280.755 1.104 20 30 CDEDLO C=CCOC[C@@H](O)C[N@@H+]1CCC(F)(F)[C@H](F)C1 ZINC001252460031 951302730 /nfs/dbraw/zinc/30/27/30/951302730.db2.gz ACEDYPGVWNUJRK-VHSXEESVSA-N 1 2 253.264 1.229 20 30 CDEDLO C=CCOC[C@@H](O)C[N@H+]1CCC(F)(F)[C@H](F)C1 ZINC001252460031 951302742 /nfs/dbraw/zinc/30/27/42/951302742.db2.gz ACEDYPGVWNUJRK-VHSXEESVSA-N 1 2 253.264 1.229 20 30 CDEDLO C=CCOC[C@H](O)C[N@@H+]1Cc2cccc(F)c2C1 ZINC001252469131 951318127 /nfs/dbraw/zinc/31/81/27/951318127.db2.gz VPKITRKRDAINMQ-GFCCVEGCSA-N 1 2 251.301 1.705 20 30 CDEDLO C=CCOC[C@H](O)C[N@H+]1Cc2cccc(F)c2C1 ZINC001252469131 951318137 /nfs/dbraw/zinc/31/81/37/951318137.db2.gz VPKITRKRDAINMQ-GFCCVEGCSA-N 1 2 251.301 1.705 20 30 CDEDLO C=CCC[C@@H](O)C[NH2+]Cc1[nH]ncc1C(=O)OCC ZINC001252625380 951518360 /nfs/dbraw/zinc/51/83/60/951518360.db2.gz VTWXKLIOGGWHHO-SNVBAGLBSA-N 1 2 267.329 1.003 20 30 CDEDLO C=CCC[C@@H](O)C[NH2+]Cc1n[nH]cc1C(=O)OCC ZINC001252625380 951518368 /nfs/dbraw/zinc/51/83/68/951518368.db2.gz VTWXKLIOGGWHHO-SNVBAGLBSA-N 1 2 267.329 1.003 20 30 CDEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+]C[C@@H](O)COC(C)C ZINC001252691028 951584992 /nfs/dbraw/zinc/58/49/92/951584992.db2.gz IHDNVLGEUDQPIQ-KGLIPLIRSA-N 1 2 287.400 1.506 20 30 CDEDLO C=C[C@H](O)C[N@H+]1CC[C@H]1N(C)C(=O)OC(C)(C)C ZINC001253585865 951978368 /nfs/dbraw/zinc/97/83/68/951978368.db2.gz HDJIGJQWWJFYNB-QWRGUYRKSA-N 1 2 256.346 1.432 20 30 CDEDLO C=C[C@H](O)C[N@@H+]1CC[C@H]1N(C)C(=O)OC(C)(C)C ZINC001253585865 951978370 /nfs/dbraw/zinc/97/83/70/951978370.db2.gz HDJIGJQWWJFYNB-QWRGUYRKSA-N 1 2 256.346 1.432 20 30 CDEDLO C=C[C@H](O)CNc1ccc([NH+]2CCC(O)CC2)cc1 ZINC001253591110 951983083 /nfs/dbraw/zinc/98/30/83/951983083.db2.gz RVJDBGAHZOZQTF-AWEZNQCLSA-N 1 2 262.353 1.607 20 30 CDEDLO N#Cc1ccc(CNC(=O)Cc2[nH]cc[nH+]2)c(F)c1 ZINC001293063778 954293329 /nfs/dbraw/zinc/29/33/29/954293329.db2.gz JOKGMVQQVQTSQE-UHFFFAOYSA-N 1 2 258.256 1.279 20 30 CDEDLO N#Cc1cc(C(=O)N2CCc3cc[nH+]c(N)c3C2)ccc1F ZINC001364377016 954520416 /nfs/dbraw/zinc/52/04/16/954520416.db2.gz UXHHZGLMDMTQRW-UHFFFAOYSA-N 1 2 296.305 1.873 20 30 CDEDLO C=C(Br)CNC(=O)NCc1ccc[nH+]c1N ZINC001365102002 955597666 /nfs/dbraw/zinc/59/76/66/955597666.db2.gz QMYHXQHPAGGZLU-UHFFFAOYSA-N 1 2 285.145 1.372 20 30 CDEDLO CCOC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001365293433 955843485 /nfs/dbraw/zinc/84/34/85/955843485.db2.gz YDQHPUZBVHOJRH-CABCVRRESA-N 1 2 288.347 1.619 20 30 CDEDLO CCOC(=O)[C@H]1CCC[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001365293433 955843506 /nfs/dbraw/zinc/84/35/06/955843506.db2.gz YDQHPUZBVHOJRH-CABCVRRESA-N 1 2 288.347 1.619 20 30 CDEDLO C=CCC1(O)C[NH+]([C@H]2CCC3(C[C@H]2F)OCCO3)C1 ZINC001308979898 956608913 /nfs/dbraw/zinc/60/89/13/956608913.db2.gz JIRFMUAYDCJNED-NEPJUHHUSA-N 1 2 271.332 1.243 20 30 CDEDLO C=CCC[NH+]1CCN(C(=O)c2snnc2C)CC1 ZINC001313442586 956858493 /nfs/dbraw/zinc/85/84/93/956858493.db2.gz ZXFYMNPEKHKZMX-UHFFFAOYSA-N 1 2 266.370 1.180 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(F)cc(F)c2O)C1=O ZINC001331568955 957143573 /nfs/dbraw/zinc/14/35/73/957143573.db2.gz NNOCDDYCCHFROI-ZDUSSCGKSA-N 1 2 296.317 1.889 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(F)cc(F)c2O)C1=O ZINC001331568955 957143575 /nfs/dbraw/zinc/14/35/75/957143575.db2.gz NNOCDDYCCHFROI-ZDUSSCGKSA-N 1 2 296.317 1.889 20 30 CDEDLO C=CCn1cnn(C[N@@H+]2CC[C@]3(CCOC3)C2)c1=S ZINC001319139342 958392335 /nfs/dbraw/zinc/39/23/35/958392335.db2.gz ZWRZAONXBRAGLX-ZDUSSCGKSA-N 1 2 280.397 1.670 20 30 CDEDLO C=CCn1cnn(C[N@H+]2CC[C@]3(CCOC3)C2)c1=S ZINC001319139342 958392349 /nfs/dbraw/zinc/39/23/49/958392349.db2.gz ZWRZAONXBRAGLX-ZDUSSCGKSA-N 1 2 280.397 1.670 20 30 CDEDLO C#CC[N@@H+](Cc1nc(-c2ccccn2)no1)CC1CC1 ZINC001319446274 958567108 /nfs/dbraw/zinc/56/71/08/958567108.db2.gz MWWVCRLDZPTNOY-UHFFFAOYSA-N 1 2 268.320 1.977 20 30 CDEDLO C#CC[N@H+](Cc1nc(-c2ccccn2)no1)CC1CC1 ZINC001319446274 958567126 /nfs/dbraw/zinc/56/71/26/958567126.db2.gz MWWVCRLDZPTNOY-UHFFFAOYSA-N 1 2 268.320 1.977 20 30 CDEDLO C=C[C@H](COC)NC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC001320301692 959060443 /nfs/dbraw/zinc/06/04/43/959060443.db2.gz HOXNTFBLUPHSNA-LLVKDONJSA-N 1 2 278.356 1.779 20 30 CDEDLO C#C[C@H]([NH2+]CCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC001335445023 959808875 /nfs/dbraw/zinc/80/88/75/959808875.db2.gz QDSRCGAWNFANCJ-LBPRGKRZSA-N 1 2 271.769 1.649 20 30 CDEDLO CN(C)C(=O)OCCO[NH+]=C(N)c1ccc(F)cc1 ZINC001321797501 959955734 /nfs/dbraw/zinc/95/57/34/959955734.db2.gz PJGMKFWSZOVEPU-UHFFFAOYSA-N 1 2 269.276 1.161 20 30 CDEDLO C=C(C)CCC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC001335931686 960108052 /nfs/dbraw/zinc/10/80/52/960108052.db2.gz YBCOAVCNKDOFEG-CYBMUJFWSA-N 1 2 254.374 1.522 20 30 CDEDLO C=C[C@H](O)C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001337327712 961116287 /nfs/dbraw/zinc/11/62/87/961116287.db2.gz DPGRVJWPACUIAI-STQMWFEESA-N 1 2 280.755 1.360 20 30 CDEDLO C[C@H](C#N)C(=O)NC1C[NH+](CCc2ccc(Cl)cc2)C1 ZINC001421024308 963419590 /nfs/dbraw/zinc/41/95/90/963419590.db2.gz JKTUOMBRERQDAG-LLVKDONJSA-N 1 2 291.782 1.843 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(C)nn1C ZINC001439365269 963738433 /nfs/dbraw/zinc/73/84/33/963738433.db2.gz MODSHMZFZHWQNS-LLVKDONJSA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(C)nn1C ZINC001439365269 963738437 /nfs/dbraw/zinc/73/84/37/963738437.db2.gz MODSHMZFZHWQNS-LLVKDONJSA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1cncn1C ZINC001439400375 963751557 /nfs/dbraw/zinc/75/15/57/963751557.db2.gz NRNGVWLEFBNKRI-LLVKDONJSA-N 1 2 284.791 1.152 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1cncn1C ZINC001439400375 963751561 /nfs/dbraw/zinc/75/15/61/963751561.db2.gz NRNGVWLEFBNKRI-LLVKDONJSA-N 1 2 284.791 1.152 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1ccccc1=O ZINC001439408374 963754710 /nfs/dbraw/zinc/75/47/10/963754710.db2.gz NNOIZGKTYPDPKP-GFCCVEGCSA-N 1 2 297.786 1.037 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cn1ccccc1=O ZINC001439408374 963754714 /nfs/dbraw/zinc/75/47/14/963754714.db2.gz NNOIZGKTYPDPKP-GFCCVEGCSA-N 1 2 297.786 1.037 20 30 CDEDLO C=CCCC(C)(C)NC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001346998169 965325979 /nfs/dbraw/zinc/32/59/79/965325979.db2.gz VHZVZXNCKCITOF-CQSZACIVSA-N 1 2 296.459 1.666 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](CC)OCC ZINC001444947581 966018346 /nfs/dbraw/zinc/01/83/46/966018346.db2.gz GOIFIHRBSFRRDN-GFCCVEGCSA-N 1 2 276.808 1.944 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](CC)OCC ZINC001444947581 966018357 /nfs/dbraw/zinc/01/83/57/966018357.db2.gz GOIFIHRBSFRRDN-GFCCVEGCSA-N 1 2 276.808 1.944 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccc(=O)[nH]c1 ZINC001445074497 966089651 /nfs/dbraw/zinc/08/96/51/966089651.db2.gz GUSLSYLHCLNIKD-UHFFFAOYSA-N 1 2 283.759 1.544 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccc(=O)[nH]c1 ZINC001445074497 966089663 /nfs/dbraw/zinc/08/96/63/966089663.db2.gz GUSLSYLHCLNIKD-UHFFFAOYSA-N 1 2 283.759 1.544 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)c1ccccc1CC#N ZINC001350512082 966686156 /nfs/dbraw/zinc/68/61/56/966686156.db2.gz RVSVXTDUUURAHM-UHFFFAOYSA-N 1 2 268.320 1.459 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cnn(C)c1C ZINC001447983062 966947748 /nfs/dbraw/zinc/94/77/48/966947748.db2.gz DTDGKJBQZYAVIF-SNVBAGLBSA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cnn(C)c1C ZINC001447983062 966947758 /nfs/dbraw/zinc/94/77/58/966947758.db2.gz DTDGKJBQZYAVIF-SNVBAGLBSA-N 1 2 284.791 1.531 20 30 CDEDLO N#Cc1cccc(OC2CCN(c3cc(N)nc[nH+]3)CC2)c1 ZINC001548510170 967525742 /nfs/dbraw/zinc/52/57/42/967525742.db2.gz UECGKFZSAIZCII-UHFFFAOYSA-N 1 2 295.346 1.978 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)NCc1ccc(C#N)cc1F ZINC001548641983 967673976 /nfs/dbraw/zinc/67/39/76/967673976.db2.gz FFACTHAUPZRPEL-UHFFFAOYSA-N 1 2 286.310 1.680 20 30 CDEDLO CON=CC(=O)NC[C@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001548828699 967907983 /nfs/dbraw/zinc/90/79/83/967907983.db2.gz JKSIDWBYFPVKFZ-WDEREUQCSA-N 1 2 299.371 1.409 20 30 CDEDLO CON=CC(=O)NC[C@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001548828699 967907991 /nfs/dbraw/zinc/90/79/91/967907991.db2.gz JKSIDWBYFPVKFZ-WDEREUQCSA-N 1 2 299.371 1.409 20 30 CDEDLO CCN(CCNC(=O)C#CC(C)(C)C)c1cc[nH+]c(C)n1 ZINC001100523421 968590201 /nfs/dbraw/zinc/59/02/01/968590201.db2.gz PLRLQFVVOFRBRB-UHFFFAOYSA-N 1 2 288.395 1.777 20 30 CDEDLO Cc1cccn2cc(CCNc3ncncc3C#N)[nH+]c12 ZINC001458218104 969270538 /nfs/dbraw/zinc/27/05/38/969270538.db2.gz DQUBGZDWZKIRDM-UHFFFAOYSA-N 1 2 278.319 1.381 20 30 CDEDLO Cc1ccc(C#N)cc1C(=O)NCc1c[nH+]cn1C ZINC001535478570 969570292 /nfs/dbraw/zinc/57/02/92/969570292.db2.gz MGJVYVYLGOYREZ-UHFFFAOYSA-N 1 2 254.293 1.530 20 30 CDEDLO COC(=O)c1ccc(C[NH2+]Cc2cccc(C#N)n2)o1 ZINC001462203416 969674909 /nfs/dbraw/zinc/67/49/09/969674909.db2.gz XAFVHZXWTUWNCB-UHFFFAOYSA-N 1 2 271.276 1.623 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H](C)n1cncn1 ZINC001372320726 972912682 /nfs/dbraw/zinc/91/26/82/972912682.db2.gz PSSZEROIIJZXRQ-LLVKDONJSA-N 1 2 285.779 1.030 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H](C)n1cncn1 ZINC001372320726 972912689 /nfs/dbraw/zinc/91/26/89/972912689.db2.gz PSSZEROIIJZXRQ-LLVKDONJSA-N 1 2 285.779 1.030 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1cscn1 ZINC001372424470 972951782 /nfs/dbraw/zinc/95/17/82/972951782.db2.gz VWOZKDUWSVJNIN-UHFFFAOYSA-N 1 2 287.816 1.876 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1cscn1 ZINC001372424470 972951784 /nfs/dbraw/zinc/95/17/84/972951784.db2.gz VWOZKDUWSVJNIN-UHFFFAOYSA-N 1 2 287.816 1.876 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCc1nccs1 ZINC001418526709 973931241 /nfs/dbraw/zinc/93/12/41/973931241.db2.gz ZZBTTXKUFQBNBD-UHFFFAOYSA-N 1 2 287.816 1.876 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCc1nccs1 ZINC001418526709 973931246 /nfs/dbraw/zinc/93/12/46/973931246.db2.gz ZZBTTXKUFQBNBD-UHFFFAOYSA-N 1 2 287.816 1.876 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccn(CC)n1 ZINC001377341582 974981111 /nfs/dbraw/zinc/98/11/11/974981111.db2.gz SHEAQXILAXGEFB-UHFFFAOYSA-N 1 2 284.791 1.707 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccn(CC)n1 ZINC001377341582 974981114 /nfs/dbraw/zinc/98/11/14/974981114.db2.gz SHEAQXILAXGEFB-UHFFFAOYSA-N 1 2 284.791 1.707 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cn(CC)nn1 ZINC001506029702 975093600 /nfs/dbraw/zinc/09/36/00/975093600.db2.gz JXJQNGSKWWGABX-JTQLQIEISA-N 1 2 285.779 1.101 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cn(CC)nn1 ZINC001506029702 975093606 /nfs/dbraw/zinc/09/36/06/975093606.db2.gz JXJQNGSKWWGABX-JTQLQIEISA-N 1 2 285.779 1.101 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1nocc1C ZINC001506033202 975095292 /nfs/dbraw/zinc/09/52/92/975095292.db2.gz FGHLJGMMPNUAMP-JTQLQIEISA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1nocc1C ZINC001506033202 975095297 /nfs/dbraw/zinc/09/52/97/975095297.db2.gz FGHLJGMMPNUAMP-JTQLQIEISA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](C)OCC2CC2)C1 ZINC001404883060 975527701 /nfs/dbraw/zinc/52/77/01/975527701.db2.gz ZGQORKWNUBGIEH-NSHDSACASA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1[nH]cnc1C ZINC001401828980 975938561 /nfs/dbraw/zinc/93/85/61/975938561.db2.gz WHCLVWCBRKNETL-VIFPVBQESA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1[nH]cnc1C ZINC001401828980 975938570 /nfs/dbraw/zinc/93/85/70/975938570.db2.gz WHCLVWCBRKNETL-VIFPVBQESA-N 1 2 270.764 1.521 20 30 CDEDLO C[C@H](C#N)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1F ZINC001390741678 976474084 /nfs/dbraw/zinc/47/40/84/976474084.db2.gz KTRWACWHJKFNEQ-SNVBAGLBSA-N 1 2 281.306 1.672 20 30 CDEDLO C[C@H](C#N)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1F ZINC001390741678 976474089 /nfs/dbraw/zinc/47/40/89/976474089.db2.gz KTRWACWHJKFNEQ-SNVBAGLBSA-N 1 2 281.306 1.672 20 30 CDEDLO C[N@H+](CCNC(=O)[C@H]1CCCO1)Cc1ccccc1C#N ZINC001399435134 976485881 /nfs/dbraw/zinc/48/58/81/976485881.db2.gz ALKOIZPZPJDMAA-OAHLLOKOSA-N 1 2 287.363 1.285 20 30 CDEDLO C[N@@H+](CCNC(=O)[C@H]1CCCO1)Cc1ccccc1C#N ZINC001399435134 976485883 /nfs/dbraw/zinc/48/58/83/976485883.db2.gz ALKOIZPZPJDMAA-OAHLLOKOSA-N 1 2 287.363 1.285 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC1C[NH+](Cc2ccncc2Cl)C1 ZINC001391474378 976909661 /nfs/dbraw/zinc/90/96/61/976909661.db2.gz NGSWALNWEICOKG-JTQLQIEISA-N 1 2 292.770 1.443 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1cnn(C)c1)C1CC1 ZINC001404210674 977369843 /nfs/dbraw/zinc/36/98/43/977369843.db2.gz BFHLOAGZYNRUFM-UHFFFAOYSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1cnn(C)c1)C1CC1 ZINC001404210674 977369853 /nfs/dbraw/zinc/36/98/53/977369853.db2.gz BFHLOAGZYNRUFM-UHFFFAOYSA-N 1 2 296.802 1.296 20 30 CDEDLO C[C@H](CNC(=O)c1ccc(C#N)cn1)Cn1cc[nH+]c1 ZINC000096446815 230374839 /nfs/dbraw/zinc/37/48/39/230374839.db2.gz VRXLGMLGAKJDIT-LLVKDONJSA-N 1 2 269.308 1.216 20 30 CDEDLO Cc1cc(NS(=O)(=O)c2cccc(CC#N)c2)cc[nH+]1 ZINC000589585012 342509335 /nfs/dbraw/zinc/50/93/35/342509335.db2.gz AXINYZOCWBMDQZ-UHFFFAOYSA-N 1 2 287.344 1.679 20 30 CDEDLO N#CC1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000590487828 342564600 /nfs/dbraw/zinc/56/46/00/342564600.db2.gz MEZQWFQNMQCVPE-UHFFFAOYSA-N 1 2 297.274 1.376 20 30 CDEDLO C=C(C)CN(CC)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000079201538 346825708 /nfs/dbraw/zinc/82/57/08/346825708.db2.gz LQELPJJBSXOWMC-UHFFFAOYSA-N 1 2 283.416 1.705 20 30 CDEDLO N#C[C@@H]1CC[C@H](Nc2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000591826497 342647961 /nfs/dbraw/zinc/64/79/61/342647961.db2.gz 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342668457 /nfs/dbraw/zinc/66/84/57/342668457.db2.gz XCPAALYNUCNMTO-OAHLLOKOSA-N 1 2 284.319 1.587 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000592148586 342668458 /nfs/dbraw/zinc/66/84/58/342668458.db2.gz XCPAALYNUCNMTO-OAHLLOKOSA-N 1 2 284.319 1.587 20 30 CDEDLO CC[C@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)[C@H](C)CO1 ZINC000593064893 342761335 /nfs/dbraw/zinc/76/13/35/342761335.db2.gz WIQRPGQYQGCUBG-KGLIPLIRSA-N 1 2 292.383 1.142 20 30 CDEDLO CC[C@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@H](C)CO1 ZINC000593064893 342761336 /nfs/dbraw/zinc/76/13/36/342761336.db2.gz WIQRPGQYQGCUBG-KGLIPLIRSA-N 1 2 292.383 1.142 20 30 CDEDLO COC(=O)[C@H]([NH2+]CCCC#N)[C@H]1CCC[C@H](OC)C1 ZINC000593102972 342768139 /nfs/dbraw/zinc/76/81/39/342768139.db2.gz GHIAPJXBVFJEMA-RWMBFGLXSA-N 1 2 268.357 1.627 20 30 CDEDLO Cc1ccc(CCC(=O)N[C@](C)(C#N)C[NH+](C)C)s1 ZINC000593153012 342773871 /nfs/dbraw/zinc/77/38/71/342773871.db2.gz CTFWTMYNYMHOSR-CQSZACIVSA-N 1 2 279.409 1.949 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594027449 342867777 /nfs/dbraw/zinc/86/77/77/342867777.db2.gz UZPUKEPGEOQRCG-OLZOCXBDSA-N 1 2 253.342 1.748 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594027449 342867778 /nfs/dbraw/zinc/86/77/78/342867778.db2.gz UZPUKEPGEOQRCG-OLZOCXBDSA-N 1 2 253.342 1.748 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@](F)(C#N)C1 ZINC000594343302 342891326 /nfs/dbraw/zinc/89/13/26/342891326.db2.gz NSTRPXCEOGSSSM-CABZTGNLSA-N 1 2 250.277 1.052 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@](F)(C#N)C1 ZINC000594343302 342891327 /nfs/dbraw/zinc/89/13/27/342891327.db2.gz NSTRPXCEOGSSSM-CABZTGNLSA-N 1 2 250.277 1.052 20 30 CDEDLO C[C@@H](C#N)Cn1[nH]c2c(c1=O)C[N@H+](Cc1ccccc1)CC2 ZINC000594659601 342936552 /nfs/dbraw/zinc/93/65/52/342936552.db2.gz GNVVNWYXYROMOS-DZGCQCFKSA-N 1 2 296.374 1.866 20 30 CDEDLO C[C@@H](C#N)Cn1[nH]c2c(c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000594659601 342936554 /nfs/dbraw/zinc/93/65/54/342936554.db2.gz 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C=C(Cl)CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000076978262 342326246 /nfs/dbraw/zinc/32/62/46/342326246.db2.gz HZMYOHNKYPASIW-GHMZBOCLSA-N 1 2 275.780 1.147 20 30 CDEDLO C=CCNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000079078575 342342433 /nfs/dbraw/zinc/34/24/33/342342433.db2.gz KJAWUEFMNKGQCX-UHFFFAOYSA-N 1 2 270.336 1.917 20 30 CDEDLO C[C@@H]1[C@@H](C)[N@H+](CC2(C#N)CC2)CCN1CC1(C#N)CC1 ZINC000595887436 343180736 /nfs/dbraw/zinc/18/07/36/343180736.db2.gz SMNSYDYBWYZNCD-ZIAGYGMSSA-N 1 2 272.396 1.989 20 30 CDEDLO C[C@@H]1[C@@H](C)[N@@H+](CC2(C#N)CC2)CCN1CC1(C#N)CC1 ZINC000595887436 343180737 /nfs/dbraw/zinc/18/07/37/343180737.db2.gz SMNSYDYBWYZNCD-ZIAGYGMSSA-N 1 2 272.396 1.989 20 30 CDEDLO CCc1nc(C#N)cc(N2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000596112701 343230346 /nfs/dbraw/zinc/23/03/46/343230346.db2.gz SFTFWLCZCFQVBF-ZDUSSCGKSA-N 1 2 282.351 1.949 20 30 CDEDLO N#Cc1nc(N[C@@H]2CC[N@@H+](C3CC3)C2)sc1Cl ZINC000596092897 343234418 /nfs/dbraw/zinc/23/44/18/343234418.db2.gz 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/nfs/dbraw/zinc/19/73/72/362197372.db2.gz AYQOKJLVKNOTKM-UHFFFAOYSA-N 1 2 265.361 1.108 20 30 CDEDLO C=CCC[N@H+](C)Cc1nnnn1CC1CCOCC1 ZINC000444667596 362197377 /nfs/dbraw/zinc/19/73/77/362197377.db2.gz AYQOKJLVKNOTKM-UHFFFAOYSA-N 1 2 265.361 1.108 20 30 CDEDLO COCC[N@H+](CCC#N)CCn1nc(C)cc1C ZINC000072690155 349811889 /nfs/dbraw/zinc/81/18/89/349811889.db2.gz WGWLBIGETPTOED-UHFFFAOYSA-N 1 2 250.346 1.362 20 30 CDEDLO COCC[N@@H+](CCC#N)CCn1nc(C)cc1C ZINC000072690155 349811892 /nfs/dbraw/zinc/81/18/92/349811892.db2.gz WGWLBIGETPTOED-UHFFFAOYSA-N 1 2 250.346 1.362 20 30 CDEDLO C[C@@H]1CCN(c2nccnc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000134063039 136390863 /nfs/dbraw/zinc/39/08/63/136390863.db2.gz KDOVAXCTMCIFFE-YPMHNXCESA-N 1 2 268.324 1.632 20 30 CDEDLO COc1cc(C[NH+]2CC(CC#N)C2)cc2c1OCO2 ZINC000597193985 343470199 /nfs/dbraw/zinc/47/01/99/343470199.db2.gz SULHFWFUFIWOOE-UHFFFAOYSA-N 1 2 260.293 1.769 20 30 CDEDLO Cc1[nH]c(CNc2n[nH]c(C3CC3)c2C#N)[nH+]c1C ZINC000565963089 365768041 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ZINC000445869794 362276597 /nfs/dbraw/zinc/27/65/97/362276597.db2.gz SSCBJCYJXLEJNW-SECBINFHSA-N 1 2 251.355 1.192 20 30 CDEDLO CCC(C#N)(CC)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000599825742 344143436 /nfs/dbraw/zinc/14/34/36/344143436.db2.gz QBUPUEVDRSEHIL-UHFFFAOYSA-N 1 2 279.384 1.297 20 30 CDEDLO CN(C[C@H]1CCCO1)C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330162097 529966879 /nfs/dbraw/zinc/96/68/79/529966879.db2.gz ADDXRRBFHIWTMX-VXGBXAGGSA-N 1 2 278.356 1.223 20 30 CDEDLO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000602332426 344402169 /nfs/dbraw/zinc/40/21/69/344402169.db2.gz JYHAKXWFGQBCSX-CYRBOEJBSA-N 1 2 267.373 1.006 20 30 CDEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000602608237 344491887 /nfs/dbraw/zinc/49/18/87/344491887.db2.gz RSKIRYQTHQQCHM-QMMMGPOBSA-N 1 2 287.772 1.237 20 30 CDEDLO C[C@@H](C#N)C[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000602608157 344492025 /nfs/dbraw/zinc/49/20/25/344492025.db2.gz QDZGYXZFIVZQTE-QMMMGPOBSA-N 1 2 294.156 1.741 20 30 CDEDLO COc1ccc(CNC(=O)C[NH2+][C@H](C)CC#N)cc1OC ZINC000602863292 344624062 /nfs/dbraw/zinc/62/40/62/344624062.db2.gz MOZZHYHQJUEDBQ-LLVKDONJSA-N 1 2 291.351 1.212 20 30 CDEDLO CC(C)CNC(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612159708 347063900 /nfs/dbraw/zinc/06/39/00/347063900.db2.gz YIRPWRUXCWCFAH-JSGCOSHPSA-N 1 2 251.374 1.773 20 30 CDEDLO CC(C)CNC(=O)[C@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612159708 347063902 /nfs/dbraw/zinc/06/39/02/347063902.db2.gz YIRPWRUXCWCFAH-JSGCOSHPSA-N 1 2 251.374 1.773 20 30 CDEDLO C[N@@H+]1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1(C)C ZINC000603373759 344787110 /nfs/dbraw/zinc/78/71/10/344787110.db2.gz FSXSPXNVVHFZLY-UHFFFAOYSA-N 1 2 285.413 1.036 20 30 CDEDLO C[N@H+]1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1(C)C ZINC000603373759 344787112 /nfs/dbraw/zinc/78/71/12/344787112.db2.gz FSXSPXNVVHFZLY-UHFFFAOYSA-N 1 2 285.413 1.036 20 30 CDEDLO N#Cc1cccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000159409599 344879137 /nfs/dbraw/zinc/87/91/37/344879137.db2.gz KOKPUSYUWQDVBS-CQSZACIVSA-N 1 2 280.331 1.634 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447848282 362529923 /nfs/dbraw/zinc/52/99/23/362529923.db2.gz LFIWTZCLXAUVAA-RYUDHWBXSA-N 1 2 254.374 1.424 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447848282 362529925 /nfs/dbraw/zinc/52/99/25/362529925.db2.gz LFIWTZCLXAUVAA-RYUDHWBXSA-N 1 2 254.374 1.424 20 30 CDEDLO CCOC(=O)C[N@H+](C)CCOc1cccc(C#N)c1 ZINC000159519375 345194612 /nfs/dbraw/zinc/19/46/12/345194612.db2.gz BVDZFINQWRZPQE-UHFFFAOYSA-N 1 2 262.309 1.432 20 30 CDEDLO CCOC(=O)C[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000159519375 345194616 /nfs/dbraw/zinc/19/46/16/345194616.db2.gz BVDZFINQWRZPQE-UHFFFAOYSA-N 1 2 262.309 1.432 20 30 CDEDLO CN(C(=O)C[N@H+]1CCCOCC1)C1(C#N)CCCCC1 ZINC000363437202 260259233 /nfs/dbraw/zinc/25/92/33/260259233.db2.gz VFVLXPIIBBCPTR-UHFFFAOYSA-N 1 2 279.384 1.394 20 30 CDEDLO CCc1noc(CC)c1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000573689282 334958275 /nfs/dbraw/zinc/95/82/75/334958275.db2.gz PIEYIXBEPMMZBJ-HNNXBMFYSA-N 1 2 292.383 1.302 20 30 CDEDLO CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccoc1 ZINC000102409267 346231179 /nfs/dbraw/zinc/23/11/79/346231179.db2.gz GBSPKTNVVLEFOI-OAHLLOKOSA-N 1 2 275.352 1.910 20 30 CDEDLO CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccoc1 ZINC000102409267 346231180 /nfs/dbraw/zinc/23/11/80/346231180.db2.gz GBSPKTNVVLEFOI-OAHLLOKOSA-N 1 2 275.352 1.910 20 30 CDEDLO CC[N@@H+]1CCN(C(=O)c2ccc(C#N)s2)C[C@@H]1C ZINC000611087426 346602465 /nfs/dbraw/zinc/60/24/65/346602465.db2.gz GKCITTKIHMXJEY-JTQLQIEISA-N 1 2 263.366 1.786 20 30 CDEDLO CC[N@H+]1CCN(C(=O)c2ccc(C#N)s2)C[C@@H]1C ZINC000611087426 346602470 /nfs/dbraw/zinc/60/24/70/346602470.db2.gz GKCITTKIHMXJEY-JTQLQIEISA-N 1 2 263.366 1.786 20 30 CDEDLO C=C(C)COCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000612436198 347157140 /nfs/dbraw/zinc/15/71/40/347157140.db2.gz NCWDJIRWNJUOBP-VXGBXAGGSA-N 1 2 263.341 1.233 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000491704107 347587075 /nfs/dbraw/zinc/58/70/75/347587075.db2.gz UFXGKJAXNUYGPP-CQSZACIVSA-N 1 2 287.363 1.471 20 30 CDEDLO C=CCNC(=O)[C@H](C)N1CC[NH+](Cc2ccco2)CC1 ZINC000053441157 347740089 /nfs/dbraw/zinc/74/00/89/347740089.db2.gz KTPONABGIYNFRK-ZDUSSCGKSA-N 1 2 277.368 1.088 20 30 CDEDLO COc1ccccc1SC[C@@H](O)C[N@H+](C)CCC#N ZINC000414123397 362921632 /nfs/dbraw/zinc/92/16/32/362921632.db2.gz BFLFEGMPRPKNEI-LBPRGKRZSA-N 1 2 280.393 1.994 20 30 CDEDLO COc1ccccc1SC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414123397 362921637 /nfs/dbraw/zinc/92/16/37/362921637.db2.gz BFLFEGMPRPKNEI-LBPRGKRZSA-N 1 2 280.393 1.994 20 30 CDEDLO Cc1ccc(F)cc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414127072 362920666 /nfs/dbraw/zinc/92/06/66/362920666.db2.gz PEYFIQIYCRCXEA-ZDUSSCGKSA-N 1 2 266.316 1.719 20 30 CDEDLO Cc1ccc(F)cc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414127072 362920673 /nfs/dbraw/zinc/92/06/73/362920673.db2.gz PEYFIQIYCRCXEA-ZDUSSCGKSA-N 1 2 266.316 1.719 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)Cn1ccc2sccc2c1=O ZINC000414133795 362923619 /nfs/dbraw/zinc/92/36/19/362923619.db2.gz BHBPIAPRZVGTFM-LLVKDONJSA-N 1 2 291.376 1.269 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)Cn1ccc2sccc2c1=O ZINC000414133795 362923623 /nfs/dbraw/zinc/92/36/23/362923623.db2.gz BHBPIAPRZVGTFM-LLVKDONJSA-N 1 2 291.376 1.269 20 30 CDEDLO CC[N@H+](CCC(F)(F)F)CC(=O)NC1(C#N)CCC1 ZINC000615224109 348397848 /nfs/dbraw/zinc/39/78/48/348397848.db2.gz MXPMTLXYQSLBHF-UHFFFAOYSA-N 1 2 277.290 1.823 20 30 CDEDLO CC[N@@H+](CCC(F)(F)F)CC(=O)NC1(C#N)CCC1 ZINC000615224109 348397849 /nfs/dbraw/zinc/39/78/49/348397849.db2.gz MXPMTLXYQSLBHF-UHFFFAOYSA-N 1 2 277.290 1.823 20 30 CDEDLO CN(C)c1[nH+]cccc1NC(=O)c1cc(O)cc(C#N)c1 ZINC000615431310 348507988 /nfs/dbraw/zinc/50/79/88/348507988.db2.gz BLQLNNGDHJJUKP-UHFFFAOYSA-N 1 2 282.303 1.977 20 30 CDEDLO CCn1cc(C[N@H+](C)Cc2cccc(C#N)n2)cn1 ZINC000602470910 350113427 /nfs/dbraw/zinc/11/34/27/350113427.db2.gz LAALAIIMGPGDIN-UHFFFAOYSA-N 1 2 255.325 1.802 20 30 CDEDLO CCn1cc(C[N@@H+](C)Cc2cccc(C#N)n2)cn1 ZINC000602470910 350113431 /nfs/dbraw/zinc/11/34/31/350113431.db2.gz LAALAIIMGPGDIN-UHFFFAOYSA-N 1 2 255.325 1.802 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)n1 ZINC000602481624 350114197 /nfs/dbraw/zinc/11/41/97/350114197.db2.gz CKDIDFVHFNSTAJ-CABCVRRESA-N 1 2 273.336 1.333 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)n1 ZINC000602481624 350114198 /nfs/dbraw/zinc/11/41/98/350114198.db2.gz CKDIDFVHFNSTAJ-CABCVRRESA-N 1 2 273.336 1.333 20 30 CDEDLO CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602627759 350132936 /nfs/dbraw/zinc/13/29/36/350132936.db2.gz SJNNUAFSQSCVBB-HNNXBMFYSA-N 1 2 272.352 1.444 20 30 CDEDLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602627759 350132940 /nfs/dbraw/zinc/13/29/40/350132940.db2.gz SJNNUAFSQSCVBB-HNNXBMFYSA-N 1 2 272.352 1.444 20 30 CDEDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1C#N ZINC000602849078 350155024 /nfs/dbraw/zinc/15/50/24/350155024.db2.gz PHPQCRGDGSNREV-FRRDWIJNSA-N 1 2 271.364 1.998 20 30 CDEDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1C#N ZINC000602849078 350155028 /nfs/dbraw/zinc/15/50/28/350155028.db2.gz PHPQCRGDGSNREV-FRRDWIJNSA-N 1 2 271.364 1.998 20 30 CDEDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc(C#N)cn1)C(C)(C)CO ZINC000602881164 350159196 /nfs/dbraw/zinc/15/91/96/350159196.db2.gz JANCUPFQWPNLQH-AWEZNQCLSA-N 1 2 299.378 1.536 20 30 CDEDLO CS(=O)(=O)CC1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000310943869 350625055 /nfs/dbraw/zinc/62/50/55/350625055.db2.gz KJHSCZJWGGSJBW-UHFFFAOYSA-N 1 2 270.398 1.437 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2nccnc2C)C1=O ZINC000621725751 350750830 /nfs/dbraw/zinc/75/08/30/350750830.db2.gz ZQJWFQWQWRNFMA-ZDUSSCGKSA-N 1 2 260.341 1.004 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2nccnc2C)C1=O ZINC000621725751 350750833 /nfs/dbraw/zinc/75/08/33/350750833.db2.gz ZQJWFQWQWRNFMA-ZDUSSCGKSA-N 1 2 260.341 1.004 20 30 CDEDLO N#CCCCCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000264152780 362981285 /nfs/dbraw/zinc/98/12/85/362981285.db2.gz QQWJHHFKTPQJEU-UHFFFAOYSA-N 1 2 271.324 1.827 20 30 CDEDLO C[C@@H](C#N)CN(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000079769971 350968149 /nfs/dbraw/zinc/96/81/49/350968149.db2.gz PEPJYIUFKFXTRL-LBPRGKRZSA-N 1 2 263.345 1.464 20 30 CDEDLO CCc1nnc(NCCn2cc[nH+]c2)c(C#N)c1CC ZINC000167382655 363188713 /nfs/dbraw/zinc/18/87/13/363188713.db2.gz UBHRZPPEBVKULM-UHFFFAOYSA-N 1 2 270.340 1.782 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCc2c(F)cccc2C1 ZINC000152738799 188039865 /nfs/dbraw/zinc/03/98/65/188039865.db2.gz DGHJPTJJYASSHT-LLVKDONJSA-N 1 2 260.312 1.322 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCc2c(F)cccc2C1 ZINC000152738799 188039866 /nfs/dbraw/zinc/03/98/66/188039866.db2.gz DGHJPTJJYASSHT-LLVKDONJSA-N 1 2 260.312 1.322 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCc2c(F)cccc2C1 ZINC000152738729 188039944 /nfs/dbraw/zinc/03/99/44/188039944.db2.gz DGHJPTJJYASSHT-NSHDSACASA-N 1 2 260.312 1.322 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCc2c(F)cccc2C1 ZINC000152738729 188039946 /nfs/dbraw/zinc/03/99/46/188039946.db2.gz DGHJPTJJYASSHT-NSHDSACASA-N 1 2 260.312 1.322 20 30 CDEDLO C=C[C@H](CO)NC(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000292472318 198301111 /nfs/dbraw/zinc/30/11/11/198301111.db2.gz PRFLDMNWAUSPSE-CQSZACIVSA-N 1 2 291.395 1.749 20 30 CDEDLO C=C[C@H](CO)NC(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000292472318 198301112 /nfs/dbraw/zinc/30/11/12/198301112.db2.gz PRFLDMNWAUSPSE-CQSZACIVSA-N 1 2 291.395 1.749 20 30 CDEDLO CC#CC[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000157546855 188323540 /nfs/dbraw/zinc/32/35/40/188323540.db2.gz GQYDMGFJROEIMD-UHFFFAOYSA-N 1 2 271.364 1.266 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)N(CC#N)CC#N)cc2n1C ZINC000355463804 366101962 /nfs/dbraw/zinc/10/19/62/366101962.db2.gz KCNMPFMLDOLEPG-UHFFFAOYSA-N 1 2 267.292 1.371 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNc2nccc(C#N)c2Cl)C1 ZINC000234329213 140228815 /nfs/dbraw/zinc/22/88/15/140228815.db2.gz FVFDTSZPPAPLCT-SNVBAGLBSA-N 1 2 266.732 1.349 20 30 CDEDLO C[N@H+]1CCO[C@H](CNc2nccc(C#N)c2Cl)C1 ZINC000234329213 140228816 /nfs/dbraw/zinc/22/88/16/140228816.db2.gz FVFDTSZPPAPLCT-SNVBAGLBSA-N 1 2 266.732 1.349 20 30 CDEDLO C=CCS(=O)(=O)CCNC(=O)Nc1cc[nH+]cc1C ZINC000272884068 191957386 /nfs/dbraw/zinc/95/73/86/191957386.db2.gz VJGAXIYZZKQUQV-UHFFFAOYSA-N 1 2 283.353 1.112 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)/C=C/c1ccc(C#N)cc1 ZINC000493366858 356258463 /nfs/dbraw/zinc/25/84/63/356258463.db2.gz KAVBJGFCDOLJDU-VOTSOKGWSA-N 1 2 266.304 1.621 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)o1 ZINC000342871425 356375875 /nfs/dbraw/zinc/37/58/75/356375875.db2.gz FZIZFHONJAQOPC-CYBMUJFWSA-N 1 2 283.287 1.840 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000328888599 538442889 /nfs/dbraw/zinc/44/28/89/538442889.db2.gz PSDQVEBAAJILNO-JTQLQIEISA-N 1 2 280.372 1.736 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCCO[C@@H](C)C1 ZINC000328888599 538442891 /nfs/dbraw/zinc/44/28/91/538442891.db2.gz PSDQVEBAAJILNO-JTQLQIEISA-N 1 2 280.372 1.736 20 30 CDEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)NC1CC1 ZINC000298636714 356904775 /nfs/dbraw/zinc/90/47/75/356904775.db2.gz WJLJHSRLHFSQFG-ZDUSSCGKSA-N 1 2 256.349 1.789 20 30 CDEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)NC1CC1 ZINC000298636714 356904776 /nfs/dbraw/zinc/90/47/76/356904776.db2.gz WJLJHSRLHFSQFG-ZDUSSCGKSA-N 1 2 256.349 1.789 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000299350092 357034662 /nfs/dbraw/zinc/03/46/62/357034662.db2.gz QTYFUSHZIACCHR-ZBFHGGJFSA-N 1 2 296.370 1.583 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C/c1cccc(C#N)c1 ZINC000070980391 357178171 /nfs/dbraw/zinc/17/81/71/357178171.db2.gz GKOQZDJUEMGRNM-AATRIKPKSA-N 1 2 266.304 1.953 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NC(=O)CC#N)c1cccc(F)c1 ZINC000363831811 357447944 /nfs/dbraw/zinc/44/79/44/357447944.db2.gz JNIIQWAIDQXYNV-CYBMUJFWSA-N 1 2 272.283 1.678 20 30 CDEDLO COCC[N@H+](Cc1ccc(F)c(C#N)c1)[C@@H](C)C(N)=O ZINC000120258244 357483159 /nfs/dbraw/zinc/48/31/59/357483159.db2.gz WXTBGTOPQUEBHQ-JTQLQIEISA-N 1 2 279.315 1.020 20 30 CDEDLO COCC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H](C)C(N)=O ZINC000120258244 357483164 /nfs/dbraw/zinc/48/31/64/357483164.db2.gz WXTBGTOPQUEBHQ-JTQLQIEISA-N 1 2 279.315 1.020 20 30 CDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(C#N)c1 ZINC000367629838 291129692 /nfs/dbraw/zinc/12/96/92/291129692.db2.gz BOTKTQGNVVIIKY-BBRMVZONSA-N 1 2 299.374 1.493 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCc1c[nH+]ccc1OC ZINC000294599226 199101730 /nfs/dbraw/zinc/10/17/30/199101730.db2.gz NDKPOXYQLOZESF-LLVKDONJSA-N 1 2 264.325 1.688 20 30 CDEDLO C=CCOc1c(Cl)cc(C[N@H+](C)CC(N)=O)cc1OC ZINC000628129535 358174544 /nfs/dbraw/zinc/17/45/44/358174544.db2.gz GRILWKKAIMNKPZ-UHFFFAOYSA-N 1 2 298.770 1.831 20 30 CDEDLO C=CCOc1c(Cl)cc(C[N@@H+](C)CC(N)=O)cc1OC ZINC000628129535 358174546 /nfs/dbraw/zinc/17/45/46/358174546.db2.gz GRILWKKAIMNKPZ-UHFFFAOYSA-N 1 2 298.770 1.831 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@]23CCOC3)c1 ZINC000193721184 358319209 /nfs/dbraw/zinc/31/92/09/358319209.db2.gz MDDCRKBZOXGQRF-OAHLLOKOSA-N 1 2 258.321 1.550 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCOC[C@]23CCOC3)c1 ZINC000193721184 358319213 /nfs/dbraw/zinc/31/92/13/358319213.db2.gz MDDCRKBZOXGQRF-OAHLLOKOSA-N 1 2 258.321 1.550 20 30 CDEDLO Cc1[nH]c(CN(CCC#N)CCN2CCOCC2)[nH+]c1C ZINC000600104340 358761635 /nfs/dbraw/zinc/76/16/35/358761635.db2.gz GGXOYBPDVQFRAE-UHFFFAOYSA-N 1 2 291.399 1.074 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1ccnc(Cl)c1 ZINC000493731665 366491180 /nfs/dbraw/zinc/49/11/80/366491180.db2.gz YTSKSSAZHYJYMJ-NNTXTVRGSA-N 1 2 292.770 1.708 20 30 CDEDLO COC(=O)[C@@H]1CC[N@H+](CCC(C)(C)C#N)[C@H](C(=O)OC)C1 ZINC000346963428 359113009 /nfs/dbraw/zinc/11/30/09/359113009.db2.gz MQWXEXVNDKUTCX-NEPJUHHUSA-N 1 2 296.367 1.353 20 30 CDEDLO COC(=O)[C@@H]1CC[N@@H+](CCC(C)(C)C#N)[C@H](C(=O)OC)C1 ZINC000346963428 359113012 /nfs/dbraw/zinc/11/30/12/359113012.db2.gz MQWXEXVNDKUTCX-NEPJUHHUSA-N 1 2 296.367 1.353 20 30 CDEDLO C=CC[N@@H+](CC(=O)NCCCOC)Cc1cccs1 ZINC000078955493 359062296 /nfs/dbraw/zinc/06/22/96/359062296.db2.gz RSBFUKXHKOVEHZ-UHFFFAOYSA-N 1 2 282.409 1.889 20 30 CDEDLO C=CC[N@H+](CC(=O)NCCCOC)Cc1cccs1 ZINC000078955493 359062298 /nfs/dbraw/zinc/06/22/98/359062298.db2.gz RSBFUKXHKOVEHZ-UHFFFAOYSA-N 1 2 282.409 1.889 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)Cc1nc2ccccc2o1 ZINC000268355633 359360673 /nfs/dbraw/zinc/36/06/73/359360673.db2.gz RRXILVLXVOBLJL-UHFFFAOYSA-N 1 2 259.309 1.562 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)Cc1nc2ccccc2o1 ZINC000268355633 359360678 /nfs/dbraw/zinc/36/06/78/359360678.db2.gz RRXILVLXVOBLJL-UHFFFAOYSA-N 1 2 259.309 1.562 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000269655056 359374473 /nfs/dbraw/zinc/37/44/73/359374473.db2.gz NDHAWECODZKBOA-NSHDSACASA-N 1 2 292.774 1.387 20 30 CDEDLO C=C(Cl)C[N@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000269655056 359374475 /nfs/dbraw/zinc/37/44/75/359374475.db2.gz NDHAWECODZKBOA-NSHDSACASA-N 1 2 292.774 1.387 20 30 CDEDLO C=CCCC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000265762610 359334513 /nfs/dbraw/zinc/33/45/13/359334513.db2.gz MCQJTIZQKMTLDA-UHFFFAOYSA-N 1 2 281.425 1.978 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2cnn(C=C)c2)n1 ZINC000279367531 359585487 /nfs/dbraw/zinc/58/54/87/359585487.db2.gz IHNCOYYPDJSRJH-UHFFFAOYSA-N 1 2 269.352 1.835 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cnn(C=C)c2)n1 ZINC000279367531 359585489 /nfs/dbraw/zinc/58/54/89/359585489.db2.gz IHNCOYYPDJSRJH-UHFFFAOYSA-N 1 2 269.352 1.835 20 30 CDEDLO CCC[N@H+](CC(=O)OC)Cc1ccc(C#N)c(OC)c1 ZINC000233009068 359594703 /nfs/dbraw/zinc/59/47/03/359594703.db2.gz XGEDJBSFVLZAMK-UHFFFAOYSA-N 1 2 276.336 1.952 20 30 CDEDLO CCC[N@@H+](CC(=O)OC)Cc1ccc(C#N)c(OC)c1 ZINC000233009068 359594708 /nfs/dbraw/zinc/59/47/08/359594708.db2.gz XGEDJBSFVLZAMK-UHFFFAOYSA-N 1 2 276.336 1.952 20 30 CDEDLO C=CCOCCC[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000348038502 359789184 /nfs/dbraw/zinc/78/91/84/359789184.db2.gz CAMUIIJXMUFZEK-GFCCVEGCSA-N 1 2 250.346 1.924 20 30 CDEDLO C=CCOCCC[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000348038502 359789186 /nfs/dbraw/zinc/78/91/86/359789186.db2.gz CAMUIIJXMUFZEK-GFCCVEGCSA-N 1 2 250.346 1.924 20 30 CDEDLO C=CCOCCC[N@@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000348038502 359789188 /nfs/dbraw/zinc/78/91/88/359789188.db2.gz CAMUIIJXMUFZEK-GFCCVEGCSA-N 1 2 250.346 1.924 20 30 CDEDLO C=CCOCCC[N@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000348038502 359789191 /nfs/dbraw/zinc/78/91/91/359789191.db2.gz CAMUIIJXMUFZEK-GFCCVEGCSA-N 1 2 250.346 1.924 20 30 CDEDLO C=CCOCCC[N@@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000348046327 359797327 /nfs/dbraw/zinc/79/73/27/359797327.db2.gz JWWNAFVHXDEOPI-CYBMUJFWSA-N 1 2 280.393 1.814 20 30 CDEDLO C=CCOCCC[N@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000348046327 359797334 /nfs/dbraw/zinc/79/73/34/359797334.db2.gz JWWNAFVHXDEOPI-CYBMUJFWSA-N 1 2 280.393 1.814 20 30 CDEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)c(O)c2)[C@@H](C)C[N@H+]1C ZINC000408428514 359768538 /nfs/dbraw/zinc/76/85/38/359768538.db2.gz UXCCNTOKMAXNCI-MNOVXSKESA-N 1 2 273.336 1.428 20 30 CDEDLO Cc1nonc1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000265167412 359828367 /nfs/dbraw/zinc/82/83/67/359828367.db2.gz XSPUZJJTHXCBLH-UHFFFAOYSA-N 1 2 297.362 1.962 20 30 CDEDLO Cc1nonc1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000265167412 359828373 /nfs/dbraw/zinc/82/83/73/359828373.db2.gz XSPUZJJTHXCBLH-UHFFFAOYSA-N 1 2 297.362 1.962 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1nc(C)no1 ZINC000348116142 359843290 /nfs/dbraw/zinc/84/32/90/359843290.db2.gz VTZXJFCVJNGSEV-ZJUUUORDSA-N 1 2 279.344 1.037 20 30 CDEDLO CC[C@]1(C)C[N@H+](CC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000135670883 359866300 /nfs/dbraw/zinc/86/63/00/359866300.db2.gz JPIIUCRZPYLLDO-MRXNPFEDSA-N 1 2 287.363 1.998 20 30 CDEDLO CC[C@]1(C)C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000135670883 359866304 /nfs/dbraw/zinc/86/63/04/359866304.db2.gz JPIIUCRZPYLLDO-MRXNPFEDSA-N 1 2 287.363 1.998 20 30 CDEDLO C=CC[N@H+](Cc1ccccc1F)[C@H](C)C(=O)NC(=O)NC ZINC000298042240 200322290 /nfs/dbraw/zinc/32/22/90/200322290.db2.gz GWEDAINQQCRDDJ-LLVKDONJSA-N 1 2 293.342 1.658 20 30 CDEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H](C)C(=O)NC(=O)NC ZINC000298042240 200322292 /nfs/dbraw/zinc/32/22/92/200322292.db2.gz GWEDAINQQCRDDJ-LLVKDONJSA-N 1 2 293.342 1.658 20 30 CDEDLO COC(=O)[C@@]1([NH2+]CCCC2(C#N)CCOCC2)CCOC1 ZINC000337183148 360028435 /nfs/dbraw/zinc/02/84/35/360028435.db2.gz NMGGJZMBECAUBT-OAHLLOKOSA-N 1 2 296.367 1.009 20 30 CDEDLO CC[N@@H+](Cc1cc(C(N)=O)cs1)C[C@H](C)C#N ZINC000091984022 360259520 /nfs/dbraw/zinc/25/95/20/360259520.db2.gz KUPYMGKQRTYWAG-SECBINFHSA-N 1 2 251.355 1.829 20 30 CDEDLO CC[N@H+](Cc1cc(C(N)=O)cs1)C[C@H](C)C#N ZINC000091984022 360259523 /nfs/dbraw/zinc/25/95/23/360259523.db2.gz KUPYMGKQRTYWAG-SECBINFHSA-N 1 2 251.355 1.829 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)NCC1(CC#N)CC1 ZINC000430578985 360934726 /nfs/dbraw/zinc/93/47/26/360934726.db2.gz ZTFDCKAIFZDUON-UHFFFAOYSA-N 1 2 294.399 1.090 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)NCC1(CC#N)CC1 ZINC000430578985 360934730 /nfs/dbraw/zinc/93/47/30/360934730.db2.gz ZTFDCKAIFZDUON-UHFFFAOYSA-N 1 2 294.399 1.090 20 30 CDEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000681453907 482852661 /nfs/dbraw/zinc/85/26/61/482852661.db2.gz YYCLZEXAHGVCSA-CYBMUJFWSA-N 1 2 265.401 1.914 20 30 CDEDLO CN(CCC#N)C(=O)CC[N@H+](CCC#N)Cc1ccco1 ZINC000131748821 361140830 /nfs/dbraw/zinc/14/08/30/361140830.db2.gz UBFIMKGRXFWKEJ-UHFFFAOYSA-N 1 2 288.351 1.757 20 30 CDEDLO CN(CCC#N)C(=O)CC[N@@H+](CCC#N)Cc1ccco1 ZINC000131748821 361140834 /nfs/dbraw/zinc/14/08/34/361140834.db2.gz UBFIMKGRXFWKEJ-UHFFFAOYSA-N 1 2 288.351 1.757 20 30 CDEDLO COCCCNC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433309114 361231362 /nfs/dbraw/zinc/23/13/62/361231362.db2.gz WUUKNAUXPDWXEP-NSHDSACASA-N 1 2 255.362 1.009 20 30 CDEDLO COCCCNC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433309114 361231368 /nfs/dbraw/zinc/23/13/68/361231368.db2.gz WUUKNAUXPDWXEP-NSHDSACASA-N 1 2 255.362 1.009 20 30 CDEDLO COCCCNC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433309113 361231539 /nfs/dbraw/zinc/23/15/39/361231539.db2.gz WUUKNAUXPDWXEP-LLVKDONJSA-N 1 2 255.362 1.009 20 30 CDEDLO COCCCNC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433309113 361231541 /nfs/dbraw/zinc/23/15/41/361231541.db2.gz WUUKNAUXPDWXEP-LLVKDONJSA-N 1 2 255.362 1.009 20 30 CDEDLO C#C[C@@H](C)[NH2+]Cc1c(Br)c(C)nn1C ZINC000166704714 361255792 /nfs/dbraw/zinc/25/57/92/361255792.db2.gz QWWCGFSJFFLNCI-SSDOTTSWSA-N 1 2 256.147 1.602 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccnc(C3CC3)c2)C1 ZINC000329334851 361481662 /nfs/dbraw/zinc/48/16/62/361481662.db2.gz OFNNUWFKBWQVNM-ZDUSSCGKSA-N 1 2 275.352 1.594 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2ccnc(C3CC3)c2)C1 ZINC000329334851 361481666 /nfs/dbraw/zinc/48/16/66/361481666.db2.gz OFNNUWFKBWQVNM-ZDUSSCGKSA-N 1 2 275.352 1.594 20 30 CDEDLO C[C@H](NC(=O)C1(C)COC1)[C@H](C)[NH+]1CCOCC1 ZINC000329344777 361484285 /nfs/dbraw/zinc/48/42/85/361484285.db2.gz UJRKBGOZYKVQIP-QWRGUYRKSA-N 1 2 256.346 1.089 20 30 CDEDLO CC#CC[NH+]1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000159290631 361626389 /nfs/dbraw/zinc/62/63/89/361626389.db2.gz BXGQKPVUXFKQIF-UHFFFAOYSA-N 1 2 297.402 1.217 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)cs2)[C@H](C(N)=O)C1 ZINC000190154743 363980320 /nfs/dbraw/zinc/98/03/20/363980320.db2.gz KQIJYSHIQKHIKU-SKDRFNHKSA-N 1 2 263.366 1.706 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)cs2)[C@H](C(N)=O)C1 ZINC000190154743 363980324 /nfs/dbraw/zinc/98/03/24/363980324.db2.gz KQIJYSHIQKHIKU-SKDRFNHKSA-N 1 2 263.366 1.706 20 30 CDEDLO CCn1cc(C[N@H+](C)[C@H](C)C(=O)NC2(C#N)CCC2)cn1 ZINC000527049219 364060425 /nfs/dbraw/zinc/06/04/25/364060425.db2.gz HCXKDBRDIFDXJK-GFCCVEGCSA-N 1 2 289.383 1.286 20 30 CDEDLO CCn1cc(C[N@@H+](C)[C@H](C)C(=O)NC2(C#N)CCC2)cn1 ZINC000527049219 364060428 /nfs/dbraw/zinc/06/04/28/364060428.db2.gz HCXKDBRDIFDXJK-GFCCVEGCSA-N 1 2 289.383 1.286 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000374556148 370724890 /nfs/dbraw/zinc/72/48/90/370724890.db2.gz JHWJQGFYWWNDCC-XJKSGUPXSA-N 1 2 274.339 1.695 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000374556148 370724892 /nfs/dbraw/zinc/72/48/92/370724892.db2.gz JHWJQGFYWWNDCC-XJKSGUPXSA-N 1 2 274.339 1.695 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCOc2cc(OC)ccc2C1 ZINC000374857354 370760897 /nfs/dbraw/zinc/76/08/97/370760897.db2.gz RBCURPBQTIJCLO-GFCCVEGCSA-N 1 2 290.363 1.580 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCOc2cc(OC)ccc2C1 ZINC000374857354 370760902 /nfs/dbraw/zinc/76/09/02/370760902.db2.gz RBCURPBQTIJCLO-GFCCVEGCSA-N 1 2 290.363 1.580 20 30 CDEDLO N#CCCCS(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000374748211 370750174 /nfs/dbraw/zinc/75/01/74/370750174.db2.gz ABWBHJCFUDVXOR-JTQLQIEISA-N 1 2 268.342 1.180 20 30 CDEDLO C[C@@H]1C[C@@H](NC(=O)COc2ccc(C#N)cc2)c2[nH+]ccn21 ZINC000456401004 364317806 /nfs/dbraw/zinc/31/78/06/364317806.db2.gz VLWHYYFWRNWMRC-BXUZGUMPSA-N 1 2 296.330 1.956 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496712598 366848693 /nfs/dbraw/zinc/84/86/93/366848693.db2.gz MZBHXMLCMKTFOZ-RYUDHWBXSA-N 1 2 285.388 1.448 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496712598 366848697 /nfs/dbraw/zinc/84/86/97/366848697.db2.gz MZBHXMLCMKTFOZ-RYUDHWBXSA-N 1 2 285.388 1.448 20 30 CDEDLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(C#N)cc1F ZINC000042316496 364556922 /nfs/dbraw/zinc/55/69/22/364556922.db2.gz HDJKYQQMAIHIHU-UHFFFAOYSA-N 1 2 277.343 1.998 20 30 CDEDLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000042316496 364556930 /nfs/dbraw/zinc/55/69/30/364556930.db2.gz HDJKYQQMAIHIHU-UHFFFAOYSA-N 1 2 277.343 1.998 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccccc2C)nn1 ZINC000640760604 364599334 /nfs/dbraw/zinc/59/93/34/364599334.db2.gz JGXBQPZLNOEKJU-UHFFFAOYSA-N 1 2 297.362 1.338 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)[C@@]2(C#N)CC23CCCC3)CCO1 ZINC000563934536 364756393 /nfs/dbraw/zinc/75/63/93/364756393.db2.gz KNZPRCSGWIVPHW-CJNGLKHVSA-N 1 2 291.395 1.297 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(C#N)CC23CCCC3)CCO1 ZINC000563934536 364756399 /nfs/dbraw/zinc/75/63/99/364756399.db2.gz KNZPRCSGWIVPHW-CJNGLKHVSA-N 1 2 291.395 1.297 20 30 CDEDLO C[C@]1(C(N)=O)CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329622540 291347508 /nfs/dbraw/zinc/34/75/08/291347508.db2.gz RTUNNTMNSQWKMN-OTYXRUKQSA-N 1 2 291.355 1.428 20 30 CDEDLO C[C@]1(C(N)=O)CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329622540 291347510 /nfs/dbraw/zinc/34/75/10/291347510.db2.gz RTUNNTMNSQWKMN-OTYXRUKQSA-N 1 2 291.355 1.428 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@H]2Cc3ccccc32)nn1 ZINC000641234700 365249647 /nfs/dbraw/zinc/24/96/47/365249647.db2.gz IKRGYLOWLLYXCB-CQSZACIVSA-N 1 2 266.348 1.731 20 30 CDEDLO CCn1nccc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000271034291 366958225 /nfs/dbraw/zinc/95/82/25/366958225.db2.gz IJENSDHZIVBVNL-UHFFFAOYSA-N 1 2 296.378 1.492 20 30 CDEDLO C[NH2+]Cc1noc([C@@H](C)Oc2ccc(C#N)cc2)n1 ZINC000414645112 241294618 /nfs/dbraw/zinc/29/46/18/241294618.db2.gz PYTXRZNFHFPFMT-SECBINFHSA-N 1 2 258.281 1.801 20 30 CDEDLO C[NH2+]Cc1noc([C@@H](C)Oc2ccccc2C#N)n1 ZINC000414650164 241300537 /nfs/dbraw/zinc/30/05/37/241300537.db2.gz XTWVKCPANFWDKA-SECBINFHSA-N 1 2 258.281 1.801 20 30 CDEDLO C=CC[C@@H](CO)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000375490723 370836545 /nfs/dbraw/zinc/83/65/45/370836545.db2.gz OEQOZYBIVWXIJK-HZSPNIEDSA-N 1 2 289.379 1.207 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000128952524 368536937 /nfs/dbraw/zinc/53/69/37/368536937.db2.gz DNESDDNXYMXIQW-CQSZACIVSA-N 1 2 270.336 1.391 20 30 CDEDLO C=CCNC(=O)CN[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000128952524 368536943 /nfs/dbraw/zinc/53/69/43/368536943.db2.gz DNESDDNXYMXIQW-CQSZACIVSA-N 1 2 270.336 1.391 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2COc3ccccc3O2)nn1 ZINC000630603742 369376168 /nfs/dbraw/zinc/37/61/68/369376168.db2.gz PEUUSUGPALUVQY-CQSZACIVSA-N 1 2 298.346 1.231 20 30 CDEDLO C[C@@H]1COC[C@@H](C)[NH+]1CC(=O)NCc1cccc(C#N)c1 ZINC000330877114 203342649 /nfs/dbraw/zinc/34/26/49/203342649.db2.gz WAXANLCPFMFWAJ-CHWSQXEVSA-N 1 2 287.363 1.284 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCc1ccc(Cl)cc1 ZINC000293314598 370590404 /nfs/dbraw/zinc/59/04/04/370590404.db2.gz XELUUPJTCWEPCQ-UHFFFAOYSA-N 1 2 264.756 1.911 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCc1ccc(Cl)cc1 ZINC000293314598 370590407 /nfs/dbraw/zinc/59/04/07/370590407.db2.gz XELUUPJTCWEPCQ-UHFFFAOYSA-N 1 2 264.756 1.911 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(OCC)c(OCC)c1 ZINC000170727064 372107151 /nfs/dbraw/zinc/10/71/51/372107151.db2.gz PCUFLJHYUICDIF-UHFFFAOYSA-N 1 2 290.363 1.988 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(OCC)c(OCC)c1 ZINC000170727064 372107161 /nfs/dbraw/zinc/10/71/61/372107161.db2.gz PCUFLJHYUICDIF-UHFFFAOYSA-N 1 2 290.363 1.988 20 30 CDEDLO C=CCSCCNC(=O)NCCNc1cccc[nH+]1 ZINC000299294212 372525027 /nfs/dbraw/zinc/52/50/27/372525027.db2.gz AXMNQUSVOZUISX-UHFFFAOYSA-N 1 2 280.397 1.712 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@H]1CC=C(C)CC1)C(=O)OC ZINC000578747544 372544794 /nfs/dbraw/zinc/54/47/94/372544794.db2.gz FNERDLAIBFZJCA-QWHCGFSZSA-N 1 2 253.342 1.819 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)Cc1c(F)cccc1C#N ZINC000348276226 373098460 /nfs/dbraw/zinc/09/84/60/373098460.db2.gz DGCPPWYTRAQGMV-UHFFFAOYSA-N 1 2 299.305 1.960 20 30 CDEDLO C=CCC1(C(=O)N2CC[NH+](CCOCC)CC2)CCC1 ZINC000191558655 373520024 /nfs/dbraw/zinc/52/00/24/373520024.db2.gz JBDPDQWNTYXACM-UHFFFAOYSA-N 1 2 280.412 1.914 20 30 CDEDLO Cn1cc(C#N)cc1-c1nc([C@@H]2C[N@@H+](C3CC3)CCO2)no1 ZINC000356679559 373860871 /nfs/dbraw/zinc/86/08/71/373860871.db2.gz PELGDQGAQUQQKM-ZDUSSCGKSA-N 1 2 299.334 1.482 20 30 CDEDLO Cn1cc(C#N)cc1-c1nc([C@@H]2C[N@H+](C3CC3)CCO2)no1 ZINC000356679559 373860879 /nfs/dbraw/zinc/86/08/79/373860879.db2.gz PELGDQGAQUQQKM-ZDUSSCGKSA-N 1 2 299.334 1.482 20 30 CDEDLO C[C@@H](C(=O)NCCc1[nH]cc[nH+]1)c1cccc(C#N)c1 ZINC000360199686 374004958 /nfs/dbraw/zinc/00/49/58/374004958.db2.gz RWDQUUVMLBDMOT-LLVKDONJSA-N 1 2 268.320 1.744 20 30 CDEDLO CO[C@@H](C)C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000360210489 374005627 /nfs/dbraw/zinc/00/56/27/374005627.db2.gz YXAMHJLVTYDGAV-WFASDCNBSA-N 1 2 260.337 1.966 20 30 CDEDLO CO[C@@H](C)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000360210489 374005632 /nfs/dbraw/zinc/00/56/32/374005632.db2.gz YXAMHJLVTYDGAV-WFASDCNBSA-N 1 2 260.337 1.966 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000342283673 374035195 /nfs/dbraw/zinc/03/51/95/374035195.db2.gz LAMVZDAYDVBXNE-OFQRWUPVSA-N 1 2 280.412 1.910 20 30 CDEDLO Cc1cc(C#N)cc(NCc2ccc(-n3cc[nH+]c3)nc2)n1 ZINC000367720806 374141001 /nfs/dbraw/zinc/14/10/01/374141001.db2.gz MIDODUZCGKQADA-UHFFFAOYSA-N 1 2 290.330 1.876 20 30 CDEDLO N#Cc1cc(C(=O)NCCc2cn3c([nH+]2)CCCC3)c[nH]1 ZINC000367766478 374143038 /nfs/dbraw/zinc/14/30/38/374143038.db2.gz AUEXUHBCYCAIHS-UHFFFAOYSA-N 1 2 283.335 1.392 20 30 CDEDLO CC[C@@](C)([NH2+]C[C@H](O)c1ccc(C#N)cc1)C(=O)OC ZINC000293339426 374356832 /nfs/dbraw/zinc/35/68/32/374356832.db2.gz XESHBTHRPNXFJA-DZGCQCFKSA-N 1 2 276.336 1.523 20 30 CDEDLO Cn1cc(C[NH+]2CCN(c3ccc(F)cn3)CC2)cc1C#N ZINC000377692017 374617965 /nfs/dbraw/zinc/61/79/65/374617965.db2.gz GFXJFMBUCZQTQA-UHFFFAOYSA-N 1 2 299.353 1.753 20 30 CDEDLO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC000449527917 374818771 /nfs/dbraw/zinc/81/87/71/374818771.db2.gz LXCFNCHBLFWXEQ-OAHLLOKOSA-N 1 2 292.404 1.957 20 30 CDEDLO CS(=O)(=O)C[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC000449527917 374818778 /nfs/dbraw/zinc/81/87/78/374818778.db2.gz LXCFNCHBLFWXEQ-OAHLLOKOSA-N 1 2 292.404 1.957 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H](O)C2)c(Cl)c1 ZINC000332266921 375021958 /nfs/dbraw/zinc/02/19/58/375021958.db2.gz OTOHQLWWUSZFNE-LBPRGKRZSA-N 1 2 266.728 1.405 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H](O)C2)c(Cl)c1 ZINC000332266921 375021960 /nfs/dbraw/zinc/02/19/60/375021960.db2.gz OTOHQLWWUSZFNE-LBPRGKRZSA-N 1 2 266.728 1.405 20 30 CDEDLO COc1cc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)ccc1C#N ZINC000282834030 375103629 /nfs/dbraw/zinc/10/36/29/375103629.db2.gz UYVFPRFVDSGRGQ-CYBMUJFWSA-N 1 2 294.376 1.186 20 30 CDEDLO COc1cc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)ccc1C#N ZINC000282834030 375103634 /nfs/dbraw/zinc/10/36/34/375103634.db2.gz UYVFPRFVDSGRGQ-CYBMUJFWSA-N 1 2 294.376 1.186 20 30 CDEDLO C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccoc1 ZINC000048921860 375374202 /nfs/dbraw/zinc/37/42/02/375374202.db2.gz FNUQRGFDFNYMHL-UHFFFAOYSA-N 1 2 274.324 1.367 20 30 CDEDLO C[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccoc1 ZINC000048921860 375374211 /nfs/dbraw/zinc/37/42/11/375374211.db2.gz FNUQRGFDFNYMHL-UHFFFAOYSA-N 1 2 274.324 1.367 20 30 CDEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCC(C#N)CC2)C1 ZINC000057907034 375601195 /nfs/dbraw/zinc/60/11/95/375601195.db2.gz SPUFMJHATNWKSR-CHWSQXEVSA-N 1 2 263.385 1.726 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000160117289 375733571 /nfs/dbraw/zinc/73/35/71/375733571.db2.gz UQYDDAYDYQIZOI-HNNXBMFYSA-N 1 2 287.363 1.523 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000160117289 375733577 /nfs/dbraw/zinc/73/35/77/375733577.db2.gz UQYDDAYDYQIZOI-HNNXBMFYSA-N 1 2 287.363 1.523 20 30 CDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000054146424 375738040 /nfs/dbraw/zinc/73/80/40/375738040.db2.gz XCONTWMEFYKEBM-UHFFFAOYSA-N 1 2 284.406 1.124 20 30 CDEDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000295197799 375836548 /nfs/dbraw/zinc/83/65/48/375836548.db2.gz YFYZWISXHNWXCD-ZDUSSCGKSA-N 1 2 291.326 1.970 20 30 CDEDLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000295197799 375836553 /nfs/dbraw/zinc/83/65/53/375836553.db2.gz YFYZWISXHNWXCD-ZDUSSCGKSA-N 1 2 291.326 1.970 20 30 CDEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CCC[C@H]1CO ZINC000328623543 375900116 /nfs/dbraw/zinc/90/01/16/375900116.db2.gz YZEOIERHLSFGOJ-NEPJUHHUSA-N 1 2 278.356 1.131 20 30 CDEDLO CO[C@@H]1C[NH+](Cc2cccc(F)c2C#N)C[C@H]1OC ZINC000428959512 247387420 /nfs/dbraw/zinc/38/74/20/247387420.db2.gz GOLQDJQWAHZOCE-ZIAGYGMSSA-N 1 2 264.300 1.543 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+](C1CC1)C1COC1 ZINC000295336835 375913930 /nfs/dbraw/zinc/91/39/30/375913930.db2.gz HUFCEXVHBUOYRX-UHFFFAOYSA-N 1 2 258.321 1.930 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+](C1CC1)C1COC1 ZINC000295336835 375913936 /nfs/dbraw/zinc/91/39/36/375913936.db2.gz HUFCEXVHBUOYRX-UHFFFAOYSA-N 1 2 258.321 1.930 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCOC[C@H]1C)CCC2 ZINC000328718597 375922954 /nfs/dbraw/zinc/92/29/54/375922954.db2.gz PXTZSFNNYFEHTJ-OLZOCXBDSA-N 1 2 292.383 1.704 20 30 CDEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCCCO1 ZINC000328687675 375928121 /nfs/dbraw/zinc/92/81/21/375928121.db2.gz HECQZVAOBJXEPY-UHFFFAOYSA-N 1 2 264.329 1.661 20 30 CDEDLO N#Cc1ncn(Cc2[nH+]ccn2-c2ccccc2)c1C#N ZINC000434649386 248124062 /nfs/dbraw/zinc/12/40/62/248124062.db2.gz XRGRWMKKUSDYFZ-UHFFFAOYSA-N 1 2 274.287 1.860 20 30 CDEDLO C=CC[NH+](CC=C)CC(=O)Nc1c(C)nn(C)c1C ZINC000248066478 377197857 /nfs/dbraw/zinc/19/78/57/377197857.db2.gz WDAYUYMEWBXALN-UHFFFAOYSA-N 1 2 262.357 1.649 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NC1CCCC1 ZINC000250051836 377488097 /nfs/dbraw/zinc/48/80/97/377488097.db2.gz XJRDCJQSDJYECZ-VXGBXAGGSA-N 1 2 251.374 1.915 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NC1CCCC1 ZINC000250051836 377488103 /nfs/dbraw/zinc/48/81/03/377488103.db2.gz XJRDCJQSDJYECZ-VXGBXAGGSA-N 1 2 251.374 1.915 20 30 CDEDLO C=CCC(CC=C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000130085377 377496728 /nfs/dbraw/zinc/49/67/28/377496728.db2.gz KYFPUFYOKSQZRT-UHFFFAOYSA-N 1 2 266.385 1.545 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000131603621 377683606 /nfs/dbraw/zinc/68/36/06/377683606.db2.gz DTVBWFHCNMIZBG-AWEZNQCLSA-N 1 2 279.428 1.507 20 30 CDEDLO CC#CC[C@H](CO)Nc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000645406908 378167264 /nfs/dbraw/zinc/16/72/64/378167264.db2.gz FFAUSPKTANHDLZ-GFCCVEGCSA-N 1 2 284.363 1.304 20 30 CDEDLO C=C[C@@H](CO)NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000290463439 378377742 /nfs/dbraw/zinc/37/77/42/378377742.db2.gz CQAOGYYSYCBVIO-VIFPVBQESA-N 1 2 295.289 1.286 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000293542882 378572524 /nfs/dbraw/zinc/57/25/24/378572524.db2.gz QLPYEXBPGKBOKX-UHFFFAOYSA-N 1 2 280.393 1.709 20 30 CDEDLO N#CCNC(=O)C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185333075 378652994 /nfs/dbraw/zinc/65/29/94/378652994.db2.gz GOAIUNXAIVLFHO-JTQLQIEISA-N 1 2 279.290 1.394 20 30 CDEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185333075 378652999 /nfs/dbraw/zinc/65/29/99/378652999.db2.gz GOAIUNXAIVLFHO-JTQLQIEISA-N 1 2 279.290 1.394 20 30 CDEDLO C[C@H](CNC(=O)c1ccc(F)c(C#N)c1)[NH+]1CCOCC1 ZINC000278603992 194064904 /nfs/dbraw/zinc/06/49/04/194064904.db2.gz LIIBTQOCEKHBLR-LLVKDONJSA-N 1 2 291.326 1.148 20 30 CDEDLO CC#CC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000278890118 194198915 /nfs/dbraw/zinc/19/89/15/194198915.db2.gz ORCMQGYTNCTONR-INIZCTEOSA-N 1 2 286.375 1.508 20 30 CDEDLO COc1cc(C#N)ccc1OCC[NH2+][C@]1(C)CCOC1=O ZINC000289440887 197349401 /nfs/dbraw/zinc/34/94/01/197349401.db2.gz DSIGPJNSBLGUEJ-OAHLLOKOSA-N 1 2 290.319 1.241 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N1CCCCC1 ZINC000042449541 285003525 /nfs/dbraw/zinc/00/35/25/285003525.db2.gz PWAAKVIXZKBJGS-STQMWFEESA-N 1 2 251.374 1.869 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N1CCCCC1 ZINC000042449541 285003526 /nfs/dbraw/zinc/00/35/26/285003526.db2.gz PWAAKVIXZKBJGS-STQMWFEESA-N 1 2 251.374 1.869 20 30 CDEDLO C#C[C@H](C)[NH2+]Cc1ncc(I)s1 ZINC000289332778 197299752 /nfs/dbraw/zinc/29/97/52/197299752.db2.gz GZBXKWDPMBDKLJ-LURJTMIESA-N 1 2 292.145 1.859 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccccc1C(=O)NC(C)C ZINC000192231382 533099289 /nfs/dbraw/zinc/09/92/89/533099289.db2.gz AMRVUGASNJQTDF-UHFFFAOYSA-N 1 2 287.363 1.328 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccccc1C(=O)NC(C)C ZINC000192231382 533099292 /nfs/dbraw/zinc/09/92/92/533099292.db2.gz AMRVUGASNJQTDF-UHFFFAOYSA-N 1 2 287.363 1.328 20 30 CDEDLO N#CC1(CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000574826236 335050925 /nfs/dbraw/zinc/05/09/25/335050925.db2.gz NZHGRHUGRILIEF-LLVKDONJSA-N 1 2 273.340 1.950 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1OCC ZINC000192230114 533112838 /nfs/dbraw/zinc/11/28/38/533112838.db2.gz KPJFQEJJIAFWKR-GFCCVEGCSA-N 1 2 260.337 1.977 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1OCC ZINC000192230114 533112841 /nfs/dbraw/zinc/11/28/41/533112841.db2.gz KPJFQEJJIAFWKR-GFCCVEGCSA-N 1 2 260.337 1.977 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](CC(C)C)C(=O)OCC)C1=O ZINC000281377497 195216173 /nfs/dbraw/zinc/21/61/73/195216173.db2.gz OXRVAAKFSGWVGK-KBPBESRZSA-N 1 2 296.411 1.683 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](CC(C)C)C(=O)OCC)C1=O ZINC000281377497 195216176 /nfs/dbraw/zinc/21/61/76/195216176.db2.gz OXRVAAKFSGWVGK-KBPBESRZSA-N 1 2 296.411 1.683 20 30 CDEDLO C[C@H]1C(=O)N(C)CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000187024893 390167540 /nfs/dbraw/zinc/16/75/40/390167540.db2.gz ZHLUTNQPLKKSLF-ZDUSSCGKSA-N 1 2 287.363 1.490 20 30 CDEDLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000187024893 390167545 /nfs/dbraw/zinc/16/75/45/390167545.db2.gz ZHLUTNQPLKKSLF-ZDUSSCGKSA-N 1 2 287.363 1.490 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068475049 390476366 /nfs/dbraw/zinc/47/63/66/390476366.db2.gz RVKJRRRWAWOVPW-STQMWFEESA-N 1 2 281.400 1.494 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068475049 390476371 /nfs/dbraw/zinc/47/63/71/390476371.db2.gz RVKJRRRWAWOVPW-STQMWFEESA-N 1 2 281.400 1.494 20 30 CDEDLO C[C@H]1CCC[N@H+](Cc2nc(C#N)cs2)[C@@H]1CO ZINC000419248478 390551294 /nfs/dbraw/zinc/55/12/94/390551294.db2.gz YDOJZAPXKCHWTK-GXSJLCMTSA-N 1 2 251.355 1.608 20 30 CDEDLO C[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)[C@@H]1CO ZINC000419248478 390551301 /nfs/dbraw/zinc/55/13/01/390551301.db2.gz YDOJZAPXKCHWTK-GXSJLCMTSA-N 1 2 251.355 1.608 20 30 CDEDLO C=CCOCCCC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427999894 390935669 /nfs/dbraw/zinc/93/56/69/390935669.db2.gz GLUDMTWZFPTEKM-GFCCVEGCSA-N 1 2 263.341 1.297 20 30 CDEDLO C[C@H](O[NH+]=C(N)CCO)c1ncc(C(C)(C)C)o1 ZINC000136068130 390941017 /nfs/dbraw/zinc/94/10/17/390941017.db2.gz PSWRMZVNGQADFG-QMMMGPOBSA-N 1 2 255.318 1.704 20 30 CDEDLO Cc1cc(NCCC(C)(C)S(C)(=O)=O)c(C#N)c[nH+]1 ZINC000425267759 390900797 /nfs/dbraw/zinc/90/07/97/390900797.db2.gz MKUOHILCVSBTDM-UHFFFAOYSA-N 1 2 281.381 1.309 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC1)C1CCOCC1 ZINC000329488178 390997864 /nfs/dbraw/zinc/99/78/64/390997864.db2.gz RSUWVQXBEMMUMH-GFCCVEGCSA-N 1 2 278.356 1.508 20 30 CDEDLO C#C[C@@H]1COCCN1Cc1[nH+]ccn1CC(F)(F)F ZINC000491503748 391149773 /nfs/dbraw/zinc/14/97/73/391149773.db2.gz FAUNHZDTJDMXGH-SNVBAGLBSA-N 1 2 273.258 1.279 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccccc1Cl ZINC000175583205 391136966 /nfs/dbraw/zinc/13/69/66/391136966.db2.gz LINWHJNQKOSSFL-NSHDSACASA-N 1 2 268.744 1.925 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccccc1Cl ZINC000175583205 391136971 /nfs/dbraw/zinc/13/69/71/391136971.db2.gz LINWHJNQKOSSFL-NSHDSACASA-N 1 2 268.744 1.925 20 30 CDEDLO CN(Cc1ccccc1)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352457418 391145443 /nfs/dbraw/zinc/14/54/43/391145443.db2.gz CUUPTQXQAMDUCZ-UHFFFAOYSA-N 1 2 289.354 1.973 20 30 CDEDLO C=CCOCCCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376184741 391217547 /nfs/dbraw/zinc/21/75/47/391217547.db2.gz CEBMZEIQIUVOCN-GJZGRUSLSA-N 1 2 296.411 1.291 20 30 CDEDLO CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C)CCO1 ZINC000186235072 391217920 /nfs/dbraw/zinc/21/79/20/391217920.db2.gz BFTLNVHGPUUWTC-MRXNPFEDSA-N 1 2 287.363 1.204 20 30 CDEDLO CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C)CCO1 ZINC000186235072 391217922 /nfs/dbraw/zinc/21/79/22/391217922.db2.gz BFTLNVHGPUUWTC-MRXNPFEDSA-N 1 2 287.363 1.204 20 30 CDEDLO COc1cccc(C(N)=[NH+]OCCC2OCCCO2)c1 ZINC000268536694 391219301 /nfs/dbraw/zinc/21/93/01/391219301.db2.gz YIGMPWIVPVAHIS-UHFFFAOYSA-N 1 2 280.324 1.485 20 30 CDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCCCC#N ZINC000376368322 391225416 /nfs/dbraw/zinc/22/54/16/391225416.db2.gz SNXSLQHPGWMDQA-KGLIPLIRSA-N 1 2 294.399 1.185 20 30 CDEDLO C[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)O1 ZINC000028710148 391205542 /nfs/dbraw/zinc/20/55/42/391205542.db2.gz RTFLLRLDIRHPTR-ZENOOKHLSA-N 1 2 299.374 1.773 20 30 CDEDLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)O1 ZINC000028710148 391205543 /nfs/dbraw/zinc/20/55/43/391205543.db2.gz RTFLLRLDIRHPTR-ZENOOKHLSA-N 1 2 299.374 1.773 20 30 CDEDLO Cc1[nH]c(C(=O)NCC(=O)NC2CCCCC2)c[nH+]1 ZINC000330460636 391425856 /nfs/dbraw/zinc/42/58/56/391425856.db2.gz RIPYJKXJKCNLBS-UHFFFAOYSA-N 1 2 264.329 1.472 20 30 CDEDLO CCO[C@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)C1=CCCC1 ZINC000521442769 391429255 /nfs/dbraw/zinc/42/92/55/391429255.db2.gz QLNSMBSRPKVOGI-ZBFHGGJFSA-N 1 2 293.411 1.852 20 30 CDEDLO C=CC1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000335733369 391552118 /nfs/dbraw/zinc/55/21/18/391552118.db2.gz GKIOAFOCJSZFIA-GFCCVEGCSA-N 1 2 252.358 1.132 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000366581274 391635080 /nfs/dbraw/zinc/63/50/80/391635080.db2.gz YVNXGOZNRNVMST-QWRGUYRKSA-N 1 2 276.174 1.775 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000366581274 391635082 /nfs/dbraw/zinc/63/50/82/391635082.db2.gz YVNXGOZNRNVMST-QWRGUYRKSA-N 1 2 276.174 1.775 20 30 CDEDLO C=C[C@H](CO)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000350009150 391591823 /nfs/dbraw/zinc/59/18/23/391591823.db2.gz PWWVZJLJIYBFCQ-GFCCVEGCSA-N 1 2 286.335 1.756 20 30 CDEDLO CCOC(=O)C1(CNc2cc(C)[nH+]cc2C#N)CC1 ZINC000425246018 391656014 /nfs/dbraw/zinc/65/60/14/391656014.db2.gz VKRWPRQKABXOAW-UHFFFAOYSA-N 1 2 259.309 1.439 20 30 CDEDLO N#CCC1(O)C[NH+](CCc2ccc(Cl)cc2)C1 ZINC000362284646 391717183 /nfs/dbraw/zinc/71/71/83/391717183.db2.gz LXNUOTKNWQUUIE-UHFFFAOYSA-N 1 2 250.729 1.843 20 30 CDEDLO N#CC1(C[NH2+][C@]2(CO)CCOc3ccccc32)CC1 ZINC000362281491 391717226 /nfs/dbraw/zinc/71/72/26/391717226.db2.gz YILBUWQKHCKNQC-HNNXBMFYSA-N 1 2 258.321 1.550 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H](C)CC1CCOCC1)C(=O)OC ZINC000361110326 391682625 /nfs/dbraw/zinc/68/26/25/391682625.db2.gz HCBVXKLLNFONOF-OCCSQVGLSA-N 1 2 285.384 1.525 20 30 CDEDLO Cc1cc(C#N)cc(NCc2ccc(N(C)C)[nH+]c2)n1 ZINC000341744174 130015820 /nfs/dbraw/zinc/01/58/20/130015820.db2.gz NMGYKBMBTFGQLD-UHFFFAOYSA-N 1 2 267.336 1.757 20 30 CDEDLO Cc1cnc([NH+]=C([O-])N[C@H]2CCc3[nH]c[nH+]c3C2)o1 ZINC000329778652 391776981 /nfs/dbraw/zinc/77/69/81/391776981.db2.gz LIRIODROLVCIHP-QMMMGPOBSA-N 1 2 261.285 1.590 20 30 CDEDLO Cc1cnc([NH+]=C([O-])N[C@H]2CCc3[nH+]c[nH]c3C2)o1 ZINC000329778652 391776985 /nfs/dbraw/zinc/77/69/85/391776985.db2.gz LIRIODROLVCIHP-QMMMGPOBSA-N 1 2 261.285 1.590 20 30 CDEDLO C[C@]1(O)CCCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329750247 391770814 /nfs/dbraw/zinc/77/08/14/391770814.db2.gz UWHCJQNUBRXGPI-NHYWBVRUSA-N 1 2 292.383 1.418 20 30 CDEDLO C[C@]1(O)CCCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329750247 391770820 /nfs/dbraw/zinc/77/08/20/391770820.db2.gz UWHCJQNUBRXGPI-NHYWBVRUSA-N 1 2 292.383 1.418 20 30 CDEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000191392313 130230688 /nfs/dbraw/zinc/23/06/88/130230688.db2.gz MWLAXLQKEULCJG-UHFFFAOYSA-N 1 2 294.362 1.253 20 30 CDEDLO CCC1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329826501 391785922 /nfs/dbraw/zinc/78/59/22/391785922.db2.gz RFVRLYQWHZAHKV-SNVBAGLBSA-N 1 2 262.357 1.913 20 30 CDEDLO CCC1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329826501 391785925 /nfs/dbraw/zinc/78/59/25/391785925.db2.gz RFVRLYQWHZAHKV-SNVBAGLBSA-N 1 2 262.357 1.913 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)NCCc1cccc(C#N)c1 ZINC000342249763 130371627 /nfs/dbraw/zinc/37/16/27/130371627.db2.gz OMTQNXRKZCSPIT-UHFFFAOYSA-N 1 2 297.362 1.676 20 30 CDEDLO N#Cc1ccc(OCC[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)cc1 ZINC000133110034 391919089 /nfs/dbraw/zinc/91/90/89/391919089.db2.gz QCEHMZVSCKNJIZ-HOTGVXAUSA-N 1 2 299.374 1.680 20 30 CDEDLO N#Cc1ccc(OCC[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)cc1 ZINC000133110034 391919096 /nfs/dbraw/zinc/91/90/96/391919096.db2.gz QCEHMZVSCKNJIZ-HOTGVXAUSA-N 1 2 299.374 1.680 20 30 CDEDLO C#CC[NH+]1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000265278893 392093558 /nfs/dbraw/zinc/09/35/58/392093558.db2.gz VZWYIMXPMAAYOT-UHFFFAOYSA-N 1 2 260.297 1.053 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C2(C#N)CCCC2)C1 ZINC000334322132 392085478 /nfs/dbraw/zinc/08/54/78/392085478.db2.gz IOAMSAHCDIIBEH-LBPRGKRZSA-N 1 2 272.352 1.820 20 30 CDEDLO C=C[C@@H](O)C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000646584183 392580885 /nfs/dbraw/zinc/58/08/85/392580885.db2.gz LUJKONYEXFERLX-CQSZACIVSA-N 1 2 294.782 1.531 20 30 CDEDLO CC1(C)C[N@H+](Cc2cc(C#N)cs2)C[C@@H](CO)O1 ZINC000421360066 392933035 /nfs/dbraw/zinc/93/30/35/392933035.db2.gz HVUDXUYYQAVXHO-NSHDSACASA-N 1 2 266.366 1.591 20 30 CDEDLO CC1(C)C[N@@H+](Cc2cc(C#N)cs2)C[C@@H](CO)O1 ZINC000421360066 392933043 /nfs/dbraw/zinc/93/30/43/392933043.db2.gz HVUDXUYYQAVXHO-NSHDSACASA-N 1 2 266.366 1.591 20 30 CDEDLO CC(C)[C@H]1C(=O)NCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268686167 132049326 /nfs/dbraw/zinc/04/93/26/132049326.db2.gz NPYQAIJHTGBZMI-GJZGRUSLSA-N 1 2 287.363 1.048 20 30 CDEDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268686167 132049327 /nfs/dbraw/zinc/04/93/27/132049327.db2.gz NPYQAIJHTGBZMI-GJZGRUSLSA-N 1 2 287.363 1.048 20 30 CDEDLO CO[C@H]1COCC[C@@H]1CNc1cc(C)[nH+]cc1C#N ZINC000425268765 393011116 /nfs/dbraw/zinc/01/11/16/393011116.db2.gz PRCWLZDPEHXSMP-RISCZKNCSA-N 1 2 261.325 1.147 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494319876 393230185 /nfs/dbraw/zinc/23/01/85/393230185.db2.gz VWVPMKGKVPTTJC-CQSZACIVSA-N 1 2 271.320 1.585 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494319876 393230194 /nfs/dbraw/zinc/23/01/94/393230194.db2.gz VWVPMKGKVPTTJC-CQSZACIVSA-N 1 2 271.320 1.585 20 30 CDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccco1 ZINC000091936610 135074687 /nfs/dbraw/zinc/07/46/87/135074687.db2.gz VJFKIZQMBDNYEK-GFCCVEGCSA-N 1 2 283.335 1.652 20 30 CDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccco1 ZINC000091936610 135074688 /nfs/dbraw/zinc/07/46/88/135074688.db2.gz VJFKIZQMBDNYEK-GFCCVEGCSA-N 1 2 283.335 1.652 20 30 CDEDLO C=CC[N@@H+](Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000679396107 483358029 /nfs/dbraw/zinc/35/80/29/483358029.db2.gz PNWHLTNHKRBMEX-CYBMUJFWSA-N 1 2 281.377 1.567 20 30 CDEDLO C=CC[N@H+](Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000679396107 483358031 /nfs/dbraw/zinc/35/80/31/483358031.db2.gz PNWHLTNHKRBMEX-CYBMUJFWSA-N 1 2 281.377 1.567 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](CC)OC[C@@H]1C ZINC000649730081 397914573 /nfs/dbraw/zinc/91/45/73/397914573.db2.gz KTYYTEKHSAOSFS-KBPBESRZSA-N 1 2 268.401 1.910 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](CC)OC[C@@H]1C ZINC000649730081 397914574 /nfs/dbraw/zinc/91/45/74/397914574.db2.gz KTYYTEKHSAOSFS-KBPBESRZSA-N 1 2 268.401 1.910 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](CC)OC[C@H]1C ZINC000649730082 397914604 /nfs/dbraw/zinc/91/46/04/397914604.db2.gz KTYYTEKHSAOSFS-KGLIPLIRSA-N 1 2 268.401 1.910 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](CC)OC[C@H]1C ZINC000649730082 397914607 /nfs/dbraw/zinc/91/46/07/397914607.db2.gz KTYYTEKHSAOSFS-KGLIPLIRSA-N 1 2 268.401 1.910 20 30 CDEDLO CO[C@H]1C[C@@H](C(=O)Nc2nnc(C)n2C2CC2)[N@H+](C)C1 ZINC000329143812 286090469 /nfs/dbraw/zinc/09/04/69/286090469.db2.gz VVINDHNRENKYFX-QWRGUYRKSA-N 1 2 279.344 1.229 20 30 CDEDLO CO[C@H]1C[C@@H](C(=O)Nc2nnc(C)n2C2CC2)[N@@H+](C)C1 ZINC000329143812 286090471 /nfs/dbraw/zinc/09/04/71/286090471.db2.gz VVINDHNRENKYFX-QWRGUYRKSA-N 1 2 279.344 1.229 20 30 CDEDLO CC#CC[NH2+]Cc1cn(-c2cccc(OC)c2)nn1 ZINC000656432521 413244890 /nfs/dbraw/zinc/24/48/90/413244890.db2.gz OHLXXVWZTKOGLG-UHFFFAOYSA-N 1 2 256.309 1.389 20 30 CDEDLO N#Cc1ccc(CN2CCn3c[nH+]cc3C2)cc1F ZINC000335177867 150375046 /nfs/dbraw/zinc/37/50/46/150375046.db2.gz OVYWFRQUWLAHEY-UHFFFAOYSA-N 1 2 256.284 1.910 20 30 CDEDLO COC(=O)C(C)(C)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000346013330 153024699 /nfs/dbraw/zinc/02/46/99/153024699.db2.gz IQIHJNXOYQBIIP-UHFFFAOYSA-N 1 2 276.336 1.820 20 30 CDEDLO COC(=O)C(C)(C)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000346013330 153024702 /nfs/dbraw/zinc/02/47/02/153024702.db2.gz IQIHJNXOYQBIIP-UHFFFAOYSA-N 1 2 276.336 1.820 20 30 CDEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc(C#N)nc3)n2)C1 ZINC000349845514 154236165 /nfs/dbraw/zinc/23/61/65/154236165.db2.gz CDWDHJNHVZZHHC-CYBMUJFWSA-N 1 2 299.334 1.785 20 30 CDEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc(C#N)nc3)n2)C1 ZINC000349845514 154236167 /nfs/dbraw/zinc/23/61/67/154236167.db2.gz CDWDHJNHVZZHHC-CYBMUJFWSA-N 1 2 299.334 1.785 20 30 CDEDLO N#Cc1cccc(NC(=O)C[NH+]2CCSCC2)c1 ZINC000020257263 171111461 /nfs/dbraw/zinc/11/14/61/171111461.db2.gz IYNNRMOQJPSKAO-UHFFFAOYSA-N 1 2 261.350 1.546 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000285245909 196232092 /nfs/dbraw/zinc/23/20/92/196232092.db2.gz PTLGPLVULJEYNT-KFWWJZLASA-N 1 2 299.378 1.860 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664830739 413680900 /nfs/dbraw/zinc/68/09/00/413680900.db2.gz BVJNLWWBJWBOJU-CQSZACIVSA-N 1 2 259.353 1.767 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664830739 413680905 /nfs/dbraw/zinc/68/09/05/413680905.db2.gz BVJNLWWBJWBOJU-CQSZACIVSA-N 1 2 259.353 1.767 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCOc2ccc(C)cc2C1 ZINC000285471757 196295116 /nfs/dbraw/zinc/29/51/16/196295116.db2.gz HOLRRIHFSJOEGC-CYBMUJFWSA-N 1 2 274.364 1.880 20 30 CDEDLO C=C(CC)CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000665063728 413829868 /nfs/dbraw/zinc/82/98/68/413829868.db2.gz QCDOKXCUQITTID-OLZOCXBDSA-N 1 2 269.389 1.361 20 30 CDEDLO C=C(CC)CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000665063728 413829879 /nfs/dbraw/zinc/82/98/79/413829879.db2.gz QCDOKXCUQITTID-OLZOCXBDSA-N 1 2 269.389 1.361 20 30 CDEDLO C=C[C@@](C)(O)C(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000665542084 414256702 /nfs/dbraw/zinc/25/67/02/414256702.db2.gz WWYBFEOEZFKVOM-MRXNPFEDSA-N 1 2 276.380 1.956 20 30 CDEDLO C=C[C@@](C)(O)C(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000665542084 414256711 /nfs/dbraw/zinc/25/67/11/414256711.db2.gz WWYBFEOEZFKVOM-MRXNPFEDSA-N 1 2 276.380 1.956 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)nn1 ZINC000657390258 414272537 /nfs/dbraw/zinc/27/25/37/414272537.db2.gz VWNVUVDXBOKYQR-HOTGVXAUSA-N 1 2 284.363 1.602 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](O)C2)c(C#N)c1C ZINC000039538717 174169754 /nfs/dbraw/zinc/16/97/54/174169754.db2.gz MQQQOXRTCDMEJL-NSHDSACASA-N 1 2 277.324 1.163 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](O)C2)c(C#N)c1C ZINC000039538717 174169755 /nfs/dbraw/zinc/16/97/55/174169755.db2.gz MQQQOXRTCDMEJL-NSHDSACASA-N 1 2 277.324 1.163 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](O)C1 ZINC000039490792 174169791 /nfs/dbraw/zinc/16/97/91/174169791.db2.gz LICRZSWAYAFARZ-JTQLQIEISA-N 1 2 265.338 1.015 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](O)C1 ZINC000039490792 174169792 /nfs/dbraw/zinc/16/97/92/174169792.db2.gz LICRZSWAYAFARZ-JTQLQIEISA-N 1 2 265.338 1.015 20 30 CDEDLO C#CC[NH+]1CCN(Cn2nc(C)n(CC=C)c2=S)CC1 ZINC000071845343 176275386 /nfs/dbraw/zinc/27/53/86/176275386.db2.gz ZQKMCSWGYPFRKL-UHFFFAOYSA-N 1 2 291.424 1.117 20 30 CDEDLO CCc1nc(CO[NH+]=C(N)Cc2ccc(OC)cc2)no1 ZINC000067098663 260250719 /nfs/dbraw/zinc/25/07/19/260250719.db2.gz BSGOJARXISLMDF-UHFFFAOYSA-N 1 2 290.323 1.672 20 30 CDEDLO CN(C(=O)C[N@@H+]1CCCOCC1)C1(C#N)CCCCC1 ZINC000363437202 260259232 /nfs/dbraw/zinc/25/92/32/260259232.db2.gz VFVLXPIIBBCPTR-UHFFFAOYSA-N 1 2 279.384 1.394 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H]1CCC[C@@H]1C1CC1)C(=O)OC ZINC000361111236 261163144 /nfs/dbraw/zinc/16/31/44/261163144.db2.gz RZJBGSNTUPQUMO-MCIONIFRSA-N 1 2 267.369 1.899 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CSC2CCCC2)CC1 ZINC000490759911 261201995 /nfs/dbraw/zinc/20/19/95/261201995.db2.gz HULXNTWMPYLSBA-UHFFFAOYSA-N 1 2 266.410 1.440 20 30 CDEDLO C[C@@H](NC(=O)N1CCC(C#N)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000105298217 261357380 /nfs/dbraw/zinc/35/73/80/261357380.db2.gz MVHINBUCTIISQA-OLZOCXBDSA-N 1 2 294.399 1.041 20 30 CDEDLO CO[C@@H](C)CO[NH+]=C(N)COc1cccc(F)c1 ZINC000186833006 262111970 /nfs/dbraw/zinc/11/19/70/262111970.db2.gz UFPVZOAUSABDFF-VIFPVBQESA-N 1 2 256.277 1.528 20 30 CDEDLO CC(C)(C)OC(=O)NCC(C)(C)C=[NH+]n1ccnn1 ZINC000497300770 262137199 /nfs/dbraw/zinc/13/71/99/262137199.db2.gz XYRUHPCQUYPFMQ-UHFFFAOYSA-N 1 2 267.333 1.663 20 30 CDEDLO N#C[C@@]1(NC(=O)CCc2c[nH+]c[nH]2)CCc2ccccc2C1 ZINC000193854815 262229564 /nfs/dbraw/zinc/22/95/64/262229564.db2.gz UCAWSFWFOKVMEF-QGZVFWFLSA-N 1 2 294.358 1.910 20 30 CDEDLO N#C[C@@]1(NC(=O)CCc2c[nH]c[nH+]2)CCc2ccccc2C1 ZINC000193854815 262229565 /nfs/dbraw/zinc/22/95/65/262229565.db2.gz UCAWSFWFOKVMEF-QGZVFWFLSA-N 1 2 294.358 1.910 20 30 CDEDLO COc1cccc(C(N)=[NH+]OCCO[C@@H]2CCCCO2)c1 ZINC000194717522 262241947 /nfs/dbraw/zinc/24/19/47/262241947.db2.gz KWDCFRPPXYLTBN-CQSZACIVSA-N 1 2 294.351 1.875 20 30 CDEDLO CC[C@@H](C#N)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000263787879 262853664 /nfs/dbraw/zinc/85/36/64/262853664.db2.gz HWUIFUCQUIPSGW-AWEZNQCLSA-N 1 2 268.320 1.963 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N(CCC#N)CC1CC1 ZINC000276596585 263037475 /nfs/dbraw/zinc/03/74/75/263037475.db2.gz NSFHSOFTGJDLJD-UHFFFAOYSA-N 1 2 260.341 1.505 20 30 CDEDLO CC[C@](C)(C#N)C(=O)NCCCNc1cccc[nH+]1 ZINC000285650956 263094747 /nfs/dbraw/zinc/09/47/47/263094747.db2.gz ZWCZFBMDXYNSLJ-CQSZACIVSA-N 1 2 260.341 1.940 20 30 CDEDLO Cc1ccc(Cc2noc(C3(C#N)CCOCC3)n2)c[nH+]1 ZINC000289109903 263107616 /nfs/dbraw/zinc/10/76/16/263107616.db2.gz LHOPKTJJQRBIRR-UHFFFAOYSA-N 1 2 284.319 1.936 20 30 CDEDLO C=C[C@H](C)NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000340796332 263305954 /nfs/dbraw/zinc/30/59/54/263305954.db2.gz DTBNHWDBJMDTLH-NSHDSACASA-N 1 2 284.319 1.502 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)NCCCNc1cccc[nH+]1 ZINC000341858453 263355654 /nfs/dbraw/zinc/35/56/54/263355654.db2.gz HJLXNHKEYHJLHN-CYBMUJFWSA-N 1 2 292.383 1.367 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2ccc(C(=O)OC)o2)CC1 ZINC000341991462 263382277 /nfs/dbraw/zinc/38/22/77/263382277.db2.gz NYRSVNBUHGWUMD-UHFFFAOYSA-N 1 2 292.335 1.818 20 30 CDEDLO C[C@@H](CNC(=O)C1=CCOCC1)[NH+]1CCOCC1 ZINC000330987424 264103916 /nfs/dbraw/zinc/10/39/16/264103916.db2.gz QKGKOOFBTPUMFT-NSHDSACASA-N 1 2 254.330 1.010 20 30 CDEDLO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N=c1ccn(CCC#N)[nH]1 ZINC000330988948 264104174 /nfs/dbraw/zinc/10/41/74/264104174.db2.gz XSRHGLPLKMWTDQ-RYUDHWBXSA-N 1 2 275.356 1.030 20 30 CDEDLO CCOCCNC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000331175809 264153759 /nfs/dbraw/zinc/15/37/59/264153759.db2.gz FFFMLMPUURLEHV-DGCLKSJQSA-N 1 2 296.371 1.180 20 30 CDEDLO C=CC[N@H+](Cc1nnc(C(C)C)[nH]1)[C@H](C)COC ZINC000661240050 424070664 /nfs/dbraw/zinc/07/06/64/424070664.db2.gz KXVXQKUVBQLEGT-LLVKDONJSA-N 1 2 252.362 1.951 20 30 CDEDLO C=CC[N@@H+](Cc1nnc(C(C)C)[nH]1)[C@H](C)COC ZINC000661240050 424070670 /nfs/dbraw/zinc/07/06/70/424070670.db2.gz KXVXQKUVBQLEGT-LLVKDONJSA-N 1 2 252.362 1.951 20 30 CDEDLO C=CC[N@H+](Cc1nc(COC)no1)[C@@H](C)COC ZINC000661240679 424072310 /nfs/dbraw/zinc/07/23/10/424072310.db2.gz PYFPDDGGLGTODZ-JTQLQIEISA-N 1 2 255.318 1.239 20 30 CDEDLO C=CC[N@@H+](Cc1nc(COC)no1)[C@@H](C)COC ZINC000661240679 424072324 /nfs/dbraw/zinc/07/23/24/424072324.db2.gz PYFPDDGGLGTODZ-JTQLQIEISA-N 1 2 255.318 1.239 20 30 CDEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(C(C)(C)C#N)n2)C1 ZINC000349847119 265210661 /nfs/dbraw/zinc/21/06/61/265210661.db2.gz GROJZNAITKRPSL-SNVBAGLBSA-N 1 2 264.329 1.652 20 30 CDEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(C(C)(C)C#N)n2)C1 ZINC000349847119 265210662 /nfs/dbraw/zinc/21/06/62/265210662.db2.gz GROJZNAITKRPSL-SNVBAGLBSA-N 1 2 264.329 1.652 20 30 CDEDLO CC(C)[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268686164 424525986 /nfs/dbraw/zinc/52/59/86/424525986.db2.gz NPYQAIJHTGBZMI-CABCVRRESA-N 1 2 287.363 1.048 20 30 CDEDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268686164 424526007 /nfs/dbraw/zinc/52/60/07/424526007.db2.gz NPYQAIJHTGBZMI-CABCVRRESA-N 1 2 287.363 1.048 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000363254323 267082722 /nfs/dbraw/zinc/08/27/22/267082722.db2.gz CSEMBMYZDLLZNY-GDBMZVCRSA-N 1 2 286.375 1.506 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000363254323 267082724 /nfs/dbraw/zinc/08/27/24/267082724.db2.gz CSEMBMYZDLLZNY-GDBMZVCRSA-N 1 2 286.375 1.506 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000370034183 267285317 /nfs/dbraw/zinc/28/53/17/267285317.db2.gz XBYHXOGBFXIJHW-UKRRQHHQSA-N 1 2 278.396 1.686 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000370034183 267285320 /nfs/dbraw/zinc/28/53/20/267285320.db2.gz XBYHXOGBFXIJHW-UKRRQHHQSA-N 1 2 278.396 1.686 20 30 CDEDLO Cc1cc(N(C)CC2(O)CCOCC2)c(C#N)c[nH+]1 ZINC000399256232 267332304 /nfs/dbraw/zinc/33/23/04/267332304.db2.gz NLBZJDLVKYGXJI-UHFFFAOYSA-N 1 2 261.325 1.239 20 30 CDEDLO CSC[C@@](C)(O)CNc1cc(C)[nH+]cc1C#N ZINC000398992159 270366456 /nfs/dbraw/zinc/36/64/56/270366456.db2.gz LXXOXOZUPLEOMY-LBPRGKRZSA-N 1 2 251.355 1.210 20 30 CDEDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000158631476 277012874 /nfs/dbraw/zinc/01/28/74/277012874.db2.gz MRJAKTMBTBAGCT-CYBMUJFWSA-N 1 2 261.300 1.408 20 30 CDEDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000158631476 277012876 /nfs/dbraw/zinc/01/28/76/277012876.db2.gz MRJAKTMBTBAGCT-CYBMUJFWSA-N 1 2 261.300 1.408 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCCO1)C1CCOCC1 ZINC000329690401 279378043 /nfs/dbraw/zinc/37/80/43/279378043.db2.gz ZKHJWNRAJZDPGL-GFCCVEGCSA-N 1 2 294.355 1.439 20 30 CDEDLO C[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)C[C@@H](C)[NH+]1C ZINC000074557169 288243206 /nfs/dbraw/zinc/24/32/06/288243206.db2.gz RRTFVOBJWMFNFQ-VXGBXAGGSA-N 1 2 293.392 1.271 20 30 CDEDLO N#Cc1cccc(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000151370204 289090450 /nfs/dbraw/zinc/09/04/50/289090450.db2.gz JQFVWVQXENQHNF-AWEZNQCLSA-N 1 2 280.331 1.634 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)c1ccc(C#N)c(Cl)c1 ZINC000153209070 289160845 /nfs/dbraw/zinc/16/08/45/289160845.db2.gz PTFQFFUMLFRCNU-UHFFFAOYSA-N 1 2 288.738 1.918 20 30 CDEDLO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCOC2(CCC2)C1 ZINC000330179361 295388091 /nfs/dbraw/zinc/38/80/91/295388091.db2.gz FIFSWFWZYMGBBU-LBPRGKRZSA-N 1 2 290.367 1.367 20 30 CDEDLO Cc1cc(N2CCOCC3(CCOCC3)C2)c(C#N)c[nH+]1 ZINC000333538537 301339099 /nfs/dbraw/zinc/33/90/99/301339099.db2.gz ZNCNITGFWVQEMN-UHFFFAOYSA-N 1 2 287.363 1.895 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ncccn1 ZINC001669898383 1173627757 /nfs/dbraw/zinc/62/77/57/1173627757.db2.gz GYHVMMYSCAUUPO-JTQLQIEISA-N 1 2 268.748 1.279 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ncccn1 ZINC001669898383 1173627760 /nfs/dbraw/zinc/62/77/60/1173627760.db2.gz GYHVMMYSCAUUPO-JTQLQIEISA-N 1 2 268.748 1.279 20 30 CDEDLO Cc1c[nH]c(C(C)(C)NC(=O)c2cc(C#N)cn2C)[nH+]1 ZINC000566365297 316564655 /nfs/dbraw/zinc/56/46/55/316564655.db2.gz QHWGPDSIRZATQX-UHFFFAOYSA-N 1 2 271.324 1.593 20 30 CDEDLO C=CC[NH+]1CCC(NC(=O)N=c2cc(C)c(C)n[nH]2)CC1 ZINC000531813598 328038081 /nfs/dbraw/zinc/03/80/81/328038081.db2.gz OHWXEFUYKOGUNU-UHFFFAOYSA-N 1 2 289.383 1.287 20 30 CDEDLO C[C@H](C#N)Oc1ccccc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000272972249 328202512 /nfs/dbraw/zinc/20/25/12/328202512.db2.gz KXDNLJFRAJYACH-BXUZGUMPSA-N 1 2 289.335 1.247 20 30 CDEDLO C[C@H](C#N)Oc1ccccc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000272972249 328202513 /nfs/dbraw/zinc/20/25/13/328202513.db2.gz KXDNLJFRAJYACH-BXUZGUMPSA-N 1 2 289.335 1.247 20 30 CDEDLO CC1(C)C[C@]1(C#N)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000292409828 328270095 /nfs/dbraw/zinc/27/00/95/328270095.db2.gz GZXXQPKCEKBTTH-OAHLLOKOSA-N 1 2 281.319 1.689 20 30 CDEDLO N#Cc1cnn2cc(C[N@@H+]3CCO[C@@H]4CCC[C@H]43)cnc12 ZINC000582667170 325020216 /nfs/dbraw/zinc/02/02/16/325020216.db2.gz YJINMUOGKBWZSA-ZIAGYGMSSA-N 1 2 283.335 1.354 20 30 CDEDLO N#Cc1cnn2cc(C[N@H+]3CCO[C@@H]4CCC[C@H]43)cnc12 ZINC000582667170 325020220 /nfs/dbraw/zinc/02/02/20/325020220.db2.gz YJINMUOGKBWZSA-ZIAGYGMSSA-N 1 2 283.335 1.354 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CCc2ccccc2O1 ZINC000583938362 326802310 /nfs/dbraw/zinc/80/23/10/326802310.db2.gz USXCCLRWPIBPOM-HOCLYGCPSA-N 1 2 287.363 1.340 20 30 CDEDLO N#CCNC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255766560 327013669 /nfs/dbraw/zinc/01/36/69/327013669.db2.gz DSEVQUNVPGTXQW-UTCJRWHESA-N 1 2 252.277 1.525 20 30 CDEDLO C#CC[N@@H+](Cc1cccc(C)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000092193671 327187842 /nfs/dbraw/zinc/18/78/42/327187842.db2.gz XTYMJUMGYSDTPA-MRXNPFEDSA-N 1 2 291.416 1.926 20 30 CDEDLO C#CC[N@H+](Cc1cccc(C)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000092193671 327187844 /nfs/dbraw/zinc/18/78/44/327187844.db2.gz XTYMJUMGYSDTPA-MRXNPFEDSA-N 1 2 291.416 1.926 20 30 CDEDLO C=CCN1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000377615334 329020574 /nfs/dbraw/zinc/02/05/74/329020574.db2.gz NSJJWAKMFKZXHY-CQSZACIVSA-N 1 2 270.336 1.302 20 30 CDEDLO C[C@@H](NC(=O)NCCCCC#N)[C@H](C)[NH+]1CCOCC1 ZINC000171689552 329078329 /nfs/dbraw/zinc/07/83/29/329078329.db2.gz VITSVUPCIMYSHT-OLZOCXBDSA-N 1 2 282.388 1.089 20 30 CDEDLO C=CCCCC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000175402385 329165685 /nfs/dbraw/zinc/16/56/85/329165685.db2.gz AUYMNEZMYHWCPH-HNNXBMFYSA-N 1 2 298.452 1.667 20 30 CDEDLO C=CCOc1ccccc1C[N@@H+](C)CC(=O)N(C)C ZINC000162487391 330060308 /nfs/dbraw/zinc/06/03/08/330060308.db2.gz GYJCONFPGJTGQM-UHFFFAOYSA-N 1 2 262.353 1.771 20 30 CDEDLO C=CCOc1ccccc1C[N@H+](C)CC(=O)N(C)C ZINC000162487391 330060309 /nfs/dbraw/zinc/06/03/09/330060309.db2.gz GYJCONFPGJTGQM-UHFFFAOYSA-N 1 2 262.353 1.771 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422218410 330132881 /nfs/dbraw/zinc/13/28/81/330132881.db2.gz XZYNMUNJMJAEMR-AWEZNQCLSA-N 1 2 277.368 1.825 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCCc1ccc(F)cc1 ZINC000580723082 330146844 /nfs/dbraw/zinc/14/68/44/330146844.db2.gz OYBSHBAOJGPYCP-AWEZNQCLSA-N 1 2 277.343 1.766 20 30 CDEDLO C=CCn1cc(C[NH2+][C@@H](CC)c2cnn(C)c2)nn1 ZINC000424296510 330336114 /nfs/dbraw/zinc/33/61/14/330336114.db2.gz OUWSEUFYHVNGKI-ZDUSSCGKSA-N 1 2 260.345 1.439 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1nc(N)c2ccccc2[nH+]1 ZINC000515118100 330470798 /nfs/dbraw/zinc/47/07/98/330470798.db2.gz IASXPHZCJPIKJA-FZMZJTMJSA-N 1 2 284.363 1.857 20 30 CDEDLO C=CCNC(=O)CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000436498570 330678719 /nfs/dbraw/zinc/67/87/19/330678719.db2.gz VPPKFVULSGRHSE-UHFFFAOYSA-N 1 2 276.340 1.431 20 30 CDEDLO C[C@@H]1C[C@]1(C#N)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000448645619 330757522 /nfs/dbraw/zinc/75/75/22/330757522.db2.gz AJVCZVSGUKTIIU-CZUORRHYSA-N 1 2 284.363 1.276 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+](CCC#N)C[C@@H]1c1ccccc1 ZINC000451995602 331049606 /nfs/dbraw/zinc/04/96/06/331049606.db2.gz OGSKMUGZMYFPEK-ZIAGYGMSSA-N 1 2 258.321 1.789 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+](CCC#N)C[C@@H]1c1ccccc1 ZINC000451995602 331049607 /nfs/dbraw/zinc/04/96/07/331049607.db2.gz OGSKMUGZMYFPEK-ZIAGYGMSSA-N 1 2 258.321 1.789 20 30 CDEDLO CC#CC[NH+]1CCN(c2ccc(C(=O)OC)s2)CC1 ZINC000459504563 331285145 /nfs/dbraw/zinc/28/51/45/331285145.db2.gz CTWKQBFSWPTZNK-UHFFFAOYSA-N 1 2 278.377 1.680 20 30 CDEDLO C=C(C)COCCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000488508483 332014668 /nfs/dbraw/zinc/01/46/68/332014668.db2.gz ZTUBXLZUOKZVMK-LBPRGKRZSA-N 1 2 278.356 1.090 20 30 CDEDLO C=CCCCS(=O)(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000489647886 332062914 /nfs/dbraw/zinc/06/29/14/332062914.db2.gz VDBQUQXFHQFXIW-UHFFFAOYSA-N 1 2 297.424 1.947 20 30 CDEDLO C=CCCCS(=O)(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000489675739 332064411 /nfs/dbraw/zinc/06/44/11/332064411.db2.gz QZIGNOIIZWNUFQ-ZDUSSCGKSA-N 1 2 297.424 1.955 20 30 CDEDLO CC(C)COC(=O)N1CC[NH+](CCCC#N)CC1 ZINC000490937981 332131222 /nfs/dbraw/zinc/13/12/22/332131222.db2.gz RPUBGUNEVMNSJC-UHFFFAOYSA-N 1 2 253.346 1.700 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000491303773 332185847 /nfs/dbraw/zinc/18/58/47/332185847.db2.gz CFDIGYJMBJMCRO-GFCCVEGCSA-N 1 2 270.336 1.540 20 30 CDEDLO C#C[C@@H](CC)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000491325299 332189543 /nfs/dbraw/zinc/18/95/43/332189543.db2.gz BJKPJFKKPCVTJZ-AWEZNQCLSA-N 1 2 286.379 1.893 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000491425763 332208954 /nfs/dbraw/zinc/20/89/54/332208954.db2.gz CFNHKLHKBGJXDK-SNVBAGLBSA-N 1 2 291.307 1.495 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000491425763 332208955 /nfs/dbraw/zinc/20/89/55/332208955.db2.gz CFNHKLHKBGJXDK-SNVBAGLBSA-N 1 2 291.307 1.495 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1nc2c(s1)CCC2 ZINC000491507025 332225356 /nfs/dbraw/zinc/22/53/56/332225356.db2.gz SNRCUOCAHCTAIF-UHFFFAOYSA-N 1 2 263.366 1.525 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1nc2c(s1)CCC2 ZINC000491507025 332225357 /nfs/dbraw/zinc/22/53/57/332225357.db2.gz SNRCUOCAHCTAIF-UHFFFAOYSA-N 1 2 263.366 1.525 20 30 CDEDLO C#C[C@H]1COCCN1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000491665532 332274157 /nfs/dbraw/zinc/27/41/57/332274157.db2.gz JBHOVTWQMNIDCB-ZDUSSCGKSA-N 1 2 290.367 1.083 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCCc1c(F)cccc1F ZINC000491706438 332299417 /nfs/dbraw/zinc/29/94/17/332299417.db2.gz LXISVFDFYHRAET-UHFFFAOYSA-N 1 2 266.291 1.189 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCCc1c(F)cccc1F ZINC000491706438 332299418 /nfs/dbraw/zinc/29/94/18/332299418.db2.gz LXISVFDFYHRAET-UHFFFAOYSA-N 1 2 266.291 1.189 20 30 CDEDLO C#CC[N@H+](C)CCCNC(=O)c1n[nH]nc1-c1ccccc1 ZINC000491708754 332301213 /nfs/dbraw/zinc/30/12/13/332301213.db2.gz HXRCQMBYEPBXKB-UHFFFAOYSA-N 1 2 297.362 1.157 20 30 CDEDLO C#CC[N@@H+](C)CCCNC(=O)c1n[nH]nc1-c1ccccc1 ZINC000491708754 332301214 /nfs/dbraw/zinc/30/12/14/332301214.db2.gz HXRCQMBYEPBXKB-UHFFFAOYSA-N 1 2 297.362 1.157 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccn(C)c2)n1 ZINC000491795384 332354622 /nfs/dbraw/zinc/35/46/22/332354622.db2.gz VPLHUNZVJZAHBV-UHFFFAOYSA-N 1 2 286.379 1.503 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccn(C)c2)n1 ZINC000491795384 332354623 /nfs/dbraw/zinc/35/46/23/332354623.db2.gz VPLHUNZVJZAHBV-UHFFFAOYSA-N 1 2 286.379 1.503 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000492133553 332384185 /nfs/dbraw/zinc/38/41/85/332384185.db2.gz NFZMKJPLXIHLBB-MNOVXSKESA-N 1 2 255.362 1.991 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000492133553 332384187 /nfs/dbraw/zinc/38/41/87/332384187.db2.gz NFZMKJPLXIHLBB-MNOVXSKESA-N 1 2 255.362 1.991 20 30 CDEDLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1CCC#N ZINC000492025288 332379633 /nfs/dbraw/zinc/37/96/33/332379633.db2.gz HBZJWSOYVZRUCF-LLVKDONJSA-N 1 2 253.346 1.889 20 30 CDEDLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1CCC#N ZINC000492025288 332379634 /nfs/dbraw/zinc/37/96/34/332379634.db2.gz HBZJWSOYVZRUCF-LLVKDONJSA-N 1 2 253.346 1.889 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000185165829 333136275 /nfs/dbraw/zinc/13/62/75/333136275.db2.gz YBPPCSHBOGDEIQ-NXEZZACHSA-N 1 2 278.356 1.156 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000192233562 333233089 /nfs/dbraw/zinc/23/30/89/333233089.db2.gz SVTQZSNRSFPODW-KBPBESRZSA-N 1 2 266.385 1.263 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000192233562 333233090 /nfs/dbraw/zinc/23/30/90/333233090.db2.gz SVTQZSNRSFPODW-KBPBESRZSA-N 1 2 266.385 1.263 20 30 CDEDLO C[C@H](C#N)CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248460691 334302754 /nfs/dbraw/zinc/30/27/54/334302754.db2.gz WSEVJNUEROPEJK-UPJWGTAASA-N 1 2 275.356 1.635 20 30 CDEDLO CC#CC[NH2+][C@H](C(=O)OC)[C@@H]1CCC[C@@H](OC)C1 ZINC000566309230 334642210 /nfs/dbraw/zinc/64/22/10/334642210.db2.gz YGHPYWIVCAMTTG-UPJWGTAASA-N 1 2 253.342 1.346 20 30 CDEDLO Cc1ccn2cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nc2c1 ZINC000567995601 334782590 /nfs/dbraw/zinc/78/25/90/334782590.db2.gz POGHDWYHWPWVII-OAHLLOKOSA-N 1 2 285.351 1.216 20 30 CDEDLO COCc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000576827576 335252833 /nfs/dbraw/zinc/25/28/33/335252833.db2.gz VXUBYNXKYXFVOM-HNNXBMFYSA-N 1 2 275.352 1.407 20 30 CDEDLO COC(=O)[C@H]([NH2+]CCOCCC#N)[C@H]1CCC[C@H](OC)C1 ZINC000581194837 336022804 /nfs/dbraw/zinc/02/28/04/336022804.db2.gz IGMDJEUYSMOWJI-MELADBBJSA-N 1 2 298.383 1.253 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000581832698 336149407 /nfs/dbraw/zinc/14/94/07/336149407.db2.gz PSESUHGNQOKPHM-YNEHKIRRSA-N 1 2 251.374 1.963 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2ccc(C#N)c(Cl)c2)C1 ZINC000226057183 1160564865 /nfs/dbraw/zinc/56/48/65/1160564865.db2.gz VRRFMLXOKCYHJD-GFCCVEGCSA-N 1 2 266.728 1.921 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2ccc(C#N)c(Cl)c2)C1 ZINC000226057183 1160564874 /nfs/dbraw/zinc/56/48/74/1160564874.db2.gz VRRFMLXOKCYHJD-GFCCVEGCSA-N 1 2 266.728 1.921 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN(CC)[C@H](C)C1 ZINC000677194294 482579512 /nfs/dbraw/zinc/57/95/12/482579512.db2.gz GUOFNARCCHQZPD-HUUCEWRRSA-N 1 2 279.428 1.602 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN(CC)[C@H](C)C1 ZINC000677194294 482579513 /nfs/dbraw/zinc/57/95/13/482579513.db2.gz GUOFNARCCHQZPD-HUUCEWRRSA-N 1 2 279.428 1.602 20 30 CDEDLO COCC#CC[N@H+](CCO)Cc1cc(OC)ccc1OC ZINC000677818312 482793926 /nfs/dbraw/zinc/79/39/26/482793926.db2.gz YTPARGIPAZOVGD-UHFFFAOYSA-N 1 2 293.363 1.148 20 30 CDEDLO COCC#CC[N@@H+](CCO)Cc1cc(OC)ccc1OC ZINC000677818312 482793932 /nfs/dbraw/zinc/79/39/32/482793932.db2.gz YTPARGIPAZOVGD-UHFFFAOYSA-N 1 2 293.363 1.148 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000684761295 482956629 /nfs/dbraw/zinc/95/66/29/482956629.db2.gz PRQNLBOULGFEMG-LBPRGKRZSA-N 1 2 269.370 1.426 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccnn2CCC)C1=O ZINC000668100206 483563091 /nfs/dbraw/zinc/56/30/91/483563091.db2.gz FUCKAJIEYXZVCR-CQSZACIVSA-N 1 2 276.384 1.512 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccnn2CCC)C1=O ZINC000668100206 483563096 /nfs/dbraw/zinc/56/30/96/483563096.db2.gz FUCKAJIEYXZVCR-CQSZACIVSA-N 1 2 276.384 1.512 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccnn2CC2CC2)C1=O ZINC000668100606 483563890 /nfs/dbraw/zinc/56/38/90/483563890.db2.gz RQRHYBSSLJQHBA-OAHLLOKOSA-N 1 2 288.395 1.512 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccnn2CC2CC2)C1=O ZINC000668100606 483563896 /nfs/dbraw/zinc/56/38/96/483563896.db2.gz RQRHYBSSLJQHBA-OAHLLOKOSA-N 1 2 288.395 1.512 20 30 CDEDLO C=CCN1CC[C@@H](N(C)Cc2c[nH+]c3n2CCC3)C1=O ZINC000668100667 483564495 /nfs/dbraw/zinc/56/44/95/483564495.db2.gz UQGRELQZFRINQA-CYBMUJFWSA-N 1 2 274.368 1.048 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1OC ZINC001211999747 1160608709 /nfs/dbraw/zinc/60/87/09/1160608709.db2.gz WIFUKHCIZGHEIC-ZIAGYGMSSA-N 1 2 293.367 1.265 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1OC ZINC001211999747 1160608712 /nfs/dbraw/zinc/60/87/12/1160608712.db2.gz WIFUKHCIZGHEIC-ZIAGYGMSSA-N 1 2 293.367 1.265 20 30 CDEDLO C=C(Br)CN1CC[NH+](CCCCO)CC1 ZINC000749366933 576944934 /nfs/dbraw/zinc/94/49/34/576944934.db2.gz WOIGTSRKCFLSTN-UHFFFAOYSA-N 1 2 277.206 1.285 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2[nH]c(C)cc2C)C1 ZINC001108028512 1161431935 /nfs/dbraw/zinc/43/19/35/1161431935.db2.gz GWVIVYYYWZHWGI-MRXNPFEDSA-N 1 2 291.395 1.638 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2[nH]c(C)cc2C)C1 ZINC001108028512 1161431937 /nfs/dbraw/zinc/43/19/37/1161431937.db2.gz GWVIVYYYWZHWGI-MRXNPFEDSA-N 1 2 291.395 1.638 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)s2)C1 ZINC001078264489 1161436840 /nfs/dbraw/zinc/43/68/40/1161436840.db2.gz AHJFCOIZORTNBN-NXEZZACHSA-N 1 2 284.356 1.238 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)s2)C1 ZINC001078264489 1161436841 /nfs/dbraw/zinc/43/68/41/1161436841.db2.gz AHJFCOIZORTNBN-NXEZZACHSA-N 1 2 284.356 1.238 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCCc2cccnc2)CC1 ZINC001113463592 1162181334 /nfs/dbraw/zinc/18/13/34/1162181334.db2.gz BIVMKJMHNFXXJH-UHFFFAOYSA-N 1 2 273.380 1.735 20 30 CDEDLO N#CC1(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CCC1 ZINC000332039333 534544779 /nfs/dbraw/zinc/54/47/79/534544779.db2.gz XDBNSITVFWSADT-UHFFFAOYSA-N 1 2 286.257 1.755 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)COc1ccccc1C#N ZINC000042512294 524783550 /nfs/dbraw/zinc/78/35/50/524783550.db2.gz GUJPEGFMPZFVJF-GFCCVEGCSA-N 1 2 284.319 1.338 20 30 CDEDLO CC#CCNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000352740242 526378527 /nfs/dbraw/zinc/37/85/27/526378527.db2.gz REWWLYFAMANHMZ-UHFFFAOYSA-N 1 2 269.308 1.471 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353673650 527070061 /nfs/dbraw/zinc/07/00/61/527070061.db2.gz HTWFNMYWCCMFMY-LLVKDONJSA-N 1 2 274.324 1.640 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)o1)C1CC1 ZINC000354200239 527464489 /nfs/dbraw/zinc/46/44/89/527464489.db2.gz MHSWISXMJBMIJA-GFCCVEGCSA-N 1 2 270.292 1.766 20 30 CDEDLO CC[N@H+](CC#Cc1ccc(Cl)cc1)CC(N)=O ZINC000191703750 535766627 /nfs/dbraw/zinc/76/66/27/535766627.db2.gz XKFAGDPHCYWDAR-UHFFFAOYSA-N 1 2 250.729 1.499 20 30 CDEDLO CC[N@@H+](CC#Cc1ccc(Cl)cc1)CC(N)=O ZINC000191703750 535766630 /nfs/dbraw/zinc/76/66/30/535766630.db2.gz XKFAGDPHCYWDAR-UHFFFAOYSA-N 1 2 250.729 1.499 20 30 CDEDLO COCC[N@H+](CC(=O)N(C)C)Cc1ccc(F)c(C#N)c1 ZINC000121006752 536811817 /nfs/dbraw/zinc/81/18/17/536811817.db2.gz LGIQLTWKYDKYLD-UHFFFAOYSA-N 1 2 293.342 1.234 20 30 CDEDLO COCC[N@@H+](CC(=O)N(C)C)Cc1ccc(F)c(C#N)c1 ZINC000121006752 536811820 /nfs/dbraw/zinc/81/18/20/536811820.db2.gz LGIQLTWKYDKYLD-UHFFFAOYSA-N 1 2 293.342 1.234 20 30 CDEDLO COCCn1cc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cn1 ZINC000329439527 538569188 /nfs/dbraw/zinc/56/91/88/538569188.db2.gz KOJRCTMCXLIXID-NSHDSACASA-N 1 2 289.339 1.577 20 30 CDEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1C[C@H]2CC[C@@H](C1)O2 ZINC000329800856 538658050 /nfs/dbraw/zinc/65/80/50/538658050.db2.gz JBNMPJVODFYHCI-BETUJISGSA-N 1 2 290.367 1.497 20 30 CDEDLO CCOc1ccc(/C=[NH+]/Cc2nnnn2C2CC2)c(O)c1 ZINC000743044699 574433946 /nfs/dbraw/zinc/43/39/46/574433946.db2.gz OXZPDNKSTOLYFZ-OVCLIPMQSA-N 1 2 287.323 1.731 20 30 CDEDLO N#CCOC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000729294270 574745178 /nfs/dbraw/zinc/74/51/78/574745178.db2.gz ZXVLPLMWAWOFMQ-AWEZNQCLSA-N 1 2 274.320 1.251 20 30 CDEDLO C#CCC[NH+]1CCN(S(=O)(=O)CCC(C)C)CC1 ZINC000729484328 574811234 /nfs/dbraw/zinc/81/12/34/574811234.db2.gz ITNKRQWVZUTWNK-UHFFFAOYSA-N 1 2 272.414 1.003 20 30 CDEDLO C=CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)C(C)C ZINC000729623610 574818309 /nfs/dbraw/zinc/81/83/09/574818309.db2.gz MLWSMSXKNMCMBG-KBPBESRZSA-N 1 2 283.416 1.702 20 30 CDEDLO C=C(C)CNC(=S)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000729649197 574819432 /nfs/dbraw/zinc/81/94/32/574819432.db2.gz WMLOGBHIKLMZHN-NEPJUHHUSA-N 1 2 271.430 1.136 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000730275779 574907559 /nfs/dbraw/zinc/90/75/59/574907559.db2.gz YIXIJUOMGXYCPB-AWEZNQCLSA-N 1 2 270.332 1.658 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000730275779 574907560 /nfs/dbraw/zinc/90/75/60/574907560.db2.gz YIXIJUOMGXYCPB-AWEZNQCLSA-N 1 2 270.332 1.658 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2oc(=O)n(C)c2c1 ZINC000730283256 574909794 /nfs/dbraw/zinc/90/97/94/574909794.db2.gz HTBORRPZUGTVPC-LBPRGKRZSA-N 1 2 299.330 1.168 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2oc(=O)n(C)c2c1 ZINC000730283256 574909796 /nfs/dbraw/zinc/90/97/96/574909796.db2.gz HTBORRPZUGTVPC-LBPRGKRZSA-N 1 2 299.330 1.168 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)N[C@@H](CC(C)C)C1=O)C1CC1 ZINC000771639575 575599775 /nfs/dbraw/zinc/59/97/75/575599775.db2.gz HZHHKSKBFGRWEN-LBPRGKRZSA-N 1 2 265.357 1.561 20 30 CDEDLO C=CC[N@H+](CN1C(=O)N[C@@H](CC(C)C)C1=O)C1CC1 ZINC000771639575 575599776 /nfs/dbraw/zinc/59/97/76/575599776.db2.gz HZHHKSKBFGRWEN-LBPRGKRZSA-N 1 2 265.357 1.561 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@](C)(O)c1ccccc1 ZINC000734019337 575153652 /nfs/dbraw/zinc/15/36/52/575153652.db2.gz KEGGVZBXSZCNJP-DOTOQJQBSA-N 1 2 286.375 1.108 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@](C)(O)c1ccccc1 ZINC000734019337 575153653 /nfs/dbraw/zinc/15/36/53/575153653.db2.gz KEGGVZBXSZCNJP-DOTOQJQBSA-N 1 2 286.375 1.108 20 30 CDEDLO C=CCNC(=S)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000734098818 575156307 /nfs/dbraw/zinc/15/63/07/575156307.db2.gz JXDVOQDFVSCINY-CYBMUJFWSA-N 1 2 290.436 1.821 20 30 CDEDLO CCCCC[C@H](C)NC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000760943960 576527839 /nfs/dbraw/zinc/52/78/39/576527839.db2.gz NSMFZQNXAKJICT-HNNXBMFYSA-N 1 2 294.443 1.603 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccn(C)c2)CC1 ZINC000772123580 575663250 /nfs/dbraw/zinc/66/32/50/575663250.db2.gz SWRAVPWLEAZRRY-UHFFFAOYSA-N 1 2 288.347 1.096 20 30 CDEDLO CC[NH+](CC)Cc1csc(NC(=O)CC#N)n1 ZINC000772356603 575688822 /nfs/dbraw/zinc/68/88/22/575688822.db2.gz IMUPVABXSVFXQL-UHFFFAOYSA-N 1 2 252.343 1.837 20 30 CDEDLO CON=CC(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000773875952 575842430 /nfs/dbraw/zinc/84/24/30/575842430.db2.gz JKHASIOZMGPQFM-UHFFFAOYSA-N 1 2 272.308 1.872 20 30 CDEDLO CC1=CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766631775 576117074 /nfs/dbraw/zinc/11/70/74/576117074.db2.gz JGKSYNYMRGCTAW-UHFFFAOYSA-N 1 2 269.348 1.818 20 30 CDEDLO CC1=CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766631775 576117075 /nfs/dbraw/zinc/11/70/75/576117075.db2.gz JGKSYNYMRGCTAW-UHFFFAOYSA-N 1 2 269.348 1.818 20 30 CDEDLO O=C(C#Cc1ccccc1)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767449659 576194540 /nfs/dbraw/zinc/19/45/40/576194540.db2.gz KHHAEBNFTHTFRD-IYBDPMFKSA-N 1 2 285.343 1.445 20 30 CDEDLO O=C(C#Cc1ccccc1)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767449659 576194544 /nfs/dbraw/zinc/19/45/44/576194544.db2.gz KHHAEBNFTHTFRD-IYBDPMFKSA-N 1 2 285.343 1.445 20 30 CDEDLO CC(C)C[N@H+](CCC#N)Cc1cnc(N(C)C)nc1 ZINC000768155229 576261542 /nfs/dbraw/zinc/26/15/42/576261542.db2.gz WNJVXRUIWBKQCP-UHFFFAOYSA-N 1 2 261.373 1.914 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)Cc1cnc(N(C)C)nc1 ZINC000768155229 576261544 /nfs/dbraw/zinc/26/15/44/576261544.db2.gz WNJVXRUIWBKQCP-UHFFFAOYSA-N 1 2 261.373 1.914 20 30 CDEDLO C[S@](=O)CC[NH+]1CCN(Cc2cc(C#N)cs2)CC1 ZINC000769480821 576357592 /nfs/dbraw/zinc/35/75/92/576357592.db2.gz QAMLPIZHHHJPIC-IBGZPJMESA-N 1 2 297.449 1.116 20 30 CDEDLO C#CCC[NH+]1CCN(c2ncc(C(=O)OCC)s2)CC1 ZINC000760842040 576515119 /nfs/dbraw/zinc/51/51/19/576515119.db2.gz VDKZAGXHPNZELZ-UHFFFAOYSA-N 1 2 293.392 1.465 20 30 CDEDLO C#Cc1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)cn1 ZINC000762260922 576635269 /nfs/dbraw/zinc/63/52/69/576635269.db2.gz RRRIQEVASIZTQV-UHFFFAOYSA-N 1 2 276.299 1.641 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N(C)[C@H](C)CC(C)C ZINC000744410499 576679371 /nfs/dbraw/zinc/67/93/71/576679371.db2.gz KHMYBUFQSYOPDB-OAHLLOKOSA-N 1 2 262.397 1.838 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N(C)[C@H](C)CC(C)C ZINC000744410499 576679373 /nfs/dbraw/zinc/67/93/73/576679373.db2.gz KHMYBUFQSYOPDB-OAHLLOKOSA-N 1 2 262.397 1.838 20 30 CDEDLO COc1nccnc1N=NCc1c[nH+]c2cccc(C)n12 ZINC000763423980 576736598 /nfs/dbraw/zinc/73/65/98/576736598.db2.gz ANOSHVHAEBZWPK-UHFFFAOYSA-N 1 2 282.307 1.887 20 30 CDEDLO Cc1cc(=O)nc(NN=C2C[C@H](C)[N@@H+](C3CC3)C2)[nH]1 ZINC000753967856 576870627 /nfs/dbraw/zinc/87/06/27/576870627.db2.gz QPFSOLNKWJZDNX-VIFPVBQESA-N 1 2 261.329 1.515 20 30 CDEDLO Cc1cc(=O)nc(NN=C2C[C@H](C)[N@H+](C3CC3)C2)[nH]1 ZINC000753967856 576870628 /nfs/dbraw/zinc/87/06/28/576870628.db2.gz QPFSOLNKWJZDNX-VIFPVBQESA-N 1 2 261.329 1.515 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCSC[C@H](C)C1 ZINC000754496605 576898493 /nfs/dbraw/zinc/89/84/93/576898493.db2.gz JJQRKFGBCVTAAC-OLZOCXBDSA-N 1 2 266.410 1.296 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCSC[C@H](C)C1 ZINC000754496605 576898494 /nfs/dbraw/zinc/89/84/94/576898494.db2.gz JJQRKFGBCVTAAC-OLZOCXBDSA-N 1 2 266.410 1.296 20 30 CDEDLO C#CCOc1ccc(C(=O)NCc2[nH]c[nH+]c2C)cc1 ZINC000748407025 576911110 /nfs/dbraw/zinc/91/11/10/576911110.db2.gz YDTWLDAJZDWZHZ-UHFFFAOYSA-N 1 2 269.304 1.660 20 30 CDEDLO Cc1[nH+]cc(C=NNS(C)(=O)=O)n1-c1ccccc1 ZINC000755774937 576960397 /nfs/dbraw/zinc/96/03/97/576960397.db2.gz XNDLDBFRLASEHX-UHFFFAOYSA-N 1 2 278.337 1.064 20 30 CDEDLO Cc1ccnc(CO[NH+]=C(N)c2ccc(F)cc2)n1 ZINC000755817243 576962938 /nfs/dbraw/zinc/96/29/38/576962938.db2.gz WVALOJOPTOLQJF-UHFFFAOYSA-N 1 2 260.272 1.761 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC)[C@H]1CCCO1 ZINC000756104603 576977496 /nfs/dbraw/zinc/97/74/96/576977496.db2.gz AGCNNDHEVSGPPB-MELADBBJSA-N 1 2 264.369 1.158 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC)[C@H]1CCCO1 ZINC000756104603 576977497 /nfs/dbraw/zinc/97/74/97/576977497.db2.gz AGCNNDHEVSGPPB-MELADBBJSA-N 1 2 264.369 1.158 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CC)[C@H]1CCCO1 ZINC000756104594 576977553 /nfs/dbraw/zinc/97/75/53/576977553.db2.gz AGCNNDHEVSGPPB-HZSPNIEDSA-N 1 2 264.369 1.158 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CC)[C@H]1CCCO1 ZINC000756104594 576977555 /nfs/dbraw/zinc/97/75/55/576977555.db2.gz AGCNNDHEVSGPPB-HZSPNIEDSA-N 1 2 264.369 1.158 20 30 CDEDLO N#Cc1cccn(C[NH+]2CCC(C(F)F)CC2)c1=O ZINC000758236534 577087137 /nfs/dbraw/zinc/08/71/37/577087137.db2.gz CXHJBYCPNLEVSE-UHFFFAOYSA-N 1 2 267.279 1.655 20 30 CDEDLO S=C(N[NH+]=Cc1ccc(N2CCCC2)nc1)NC1CC1 ZINC000758367893 577102224 /nfs/dbraw/zinc/10/22/24/577102224.db2.gz RHETVQRDYFMSBY-UHFFFAOYSA-N 1 2 289.408 1.642 20 30 CDEDLO FC(F)CO[NH+]=Cc1cnc(N2CCOCC2)s1 ZINC000758899421 577139962 /nfs/dbraw/zinc/13/99/62/577139962.db2.gz JMIVVBIPYCNBPR-UHFFFAOYSA-N 1 2 277.296 1.595 20 30 CDEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(-c2nn[nH]n2)o1 ZINC000824255539 608496978 /nfs/dbraw/zinc/49/69/78/608496978.db2.gz NJXKQODXSFBJOR-UHFFFAOYSA-N 1 2 274.328 1.831 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(-c2nn[nH]n2)o1 ZINC000824255539 608496979 /nfs/dbraw/zinc/49/69/79/608496979.db2.gz NJXKQODXSFBJOR-UHFFFAOYSA-N 1 2 274.328 1.831 20 30 CDEDLO C[N@H+](Cc1ccc(-c2nn[nH]n2)o1)Cc1ccc(C#N)cc1 ZINC000825966314 608526827 /nfs/dbraw/zinc/52/68/27/608526827.db2.gz XORNYNWDMHXNJT-UHFFFAOYSA-N 1 2 294.318 1.963 20 30 CDEDLO C[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)Cc1ccc(C#N)cc1 ZINC000825966314 608526828 /nfs/dbraw/zinc/52/68/28/608526828.db2.gz XORNYNWDMHXNJT-UHFFFAOYSA-N 1 2 294.318 1.963 20 30 CDEDLO O=C(C=Cc1[nH]cc[nH+]1)c1ccc(-c2nn[nH]n2)cc1F ZINC000826402938 609273207 /nfs/dbraw/zinc/27/32/07/609273207.db2.gz GJDPYEFYFWVWNF-ONEGZZNKSA-N 1 2 284.254 1.625 20 30 CDEDLO C#C[C@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000890656159 617251516 /nfs/dbraw/zinc/25/15/16/617251516.db2.gz UNBSBIQJJBGMCN-STQMWFEESA-N 1 2 257.337 1.460 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(CC)CC)C2)C1 ZINC000972683721 613210920 /nfs/dbraw/zinc/21/09/20/613210920.db2.gz OQWZKQMHIYTANA-KRWDZBQOSA-N 1 2 292.423 1.749 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(CC)CC)C2)C1 ZINC000972683721 613210922 /nfs/dbraw/zinc/21/09/22/613210922.db2.gz OQWZKQMHIYTANA-KRWDZBQOSA-N 1 2 292.423 1.749 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cnc(C)s2)C1 ZINC000965501552 613255098 /nfs/dbraw/zinc/25/50/98/613255098.db2.gz OWEQLMCHNGLGCL-CMPLNLGQSA-N 1 2 277.393 1.525 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cnc(C)s2)C1 ZINC000965501552 613255100 /nfs/dbraw/zinc/25/51/00/613255100.db2.gz OWEQLMCHNGLGCL-CMPLNLGQSA-N 1 2 277.393 1.525 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2c(C)nn(C)c2OC)CC1 ZINC000951117047 613319975 /nfs/dbraw/zinc/31/99/75/613319975.db2.gz YYUNXMDQGKSRLP-UHFFFAOYSA-N 1 2 292.383 1.071 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2nccn3cc(C)nc23)CC1 ZINC000957105260 613322243 /nfs/dbraw/zinc/32/22/43/613322243.db2.gz ZPVBYHPOKTVEHU-UHFFFAOYSA-N 1 2 299.378 1.372 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC000971759295 613370889 /nfs/dbraw/zinc/37/08/89/613370889.db2.gz QYDMNLVBDXWALZ-JTQLQIEISA-N 1 2 296.758 1.081 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC000971759295 613370890 /nfs/dbraw/zinc/37/08/90/613370890.db2.gz QYDMNLVBDXWALZ-JTQLQIEISA-N 1 2 296.758 1.081 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(C)no2)C1 ZINC000969270367 613371825 /nfs/dbraw/zinc/37/18/25/613371825.db2.gz VJIAWFUOKHESNG-SNVBAGLBSA-N 1 2 283.759 1.786 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC000965618642 613375735 /nfs/dbraw/zinc/37/57/35/613375735.db2.gz AHDWBNXJHKXBID-NOZJJQNGSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC000965618642 613375736 /nfs/dbraw/zinc/37/57/36/613375736.db2.gz AHDWBNXJHKXBID-NOZJJQNGSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H]2CCCO2)C(C)(C)C1 ZINC000972790304 613381036 /nfs/dbraw/zinc/38/10/36/613381036.db2.gz XKBUMKVARWRJRB-NEPJUHHUSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H]2CCCO2)C(C)(C)C1 ZINC000972790304 613381037 /nfs/dbraw/zinc/38/10/37/613381037.db2.gz XKBUMKVARWRJRB-NEPJUHHUSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ncc[nH]2)C(C)(C)C1 ZINC000974579541 613381229 /nfs/dbraw/zinc/38/12/29/613381229.db2.gz SESUUQQBDMNKEM-JTQLQIEISA-N 1 2 282.775 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ncc[nH]2)C(C)(C)C1 ZINC000974579541 613381230 /nfs/dbraw/zinc/38/12/30/613381230.db2.gz SESUUQQBDMNKEM-JTQLQIEISA-N 1 2 282.775 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccnn2C)C(C)(C)C1 ZINC000972855495 613381242 /nfs/dbraw/zinc/38/12/42/613381242.db2.gz JNYPSZBYQPJJPO-LBPRGKRZSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccnn2C)C(C)(C)C1 ZINC000972855495 613381243 /nfs/dbraw/zinc/38/12/43/613381243.db2.gz JNYPSZBYQPJJPO-LBPRGKRZSA-N 1 2 296.802 1.613 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)NCc1ccc(OCC#N)cc1 ZINC000806771525 617337631 /nfs/dbraw/zinc/33/76/31/617337631.db2.gz FJGXULRPFHJUGZ-UHFFFAOYSA-N 1 2 284.319 1.181 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N[C@@](C)(C#N)CN(C)C)ccn12 ZINC000890886632 617345567 /nfs/dbraw/zinc/34/55/67/617345567.db2.gz LMMUKQVOQJORGM-HNNXBMFYSA-N 1 2 285.351 1.216 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC000950035535 613473875 /nfs/dbraw/zinc/47/38/75/613473875.db2.gz YYTPJJRZASHEFJ-INIZCTEOSA-N 1 2 290.411 1.667 20 30 CDEDLO C=CCC[NH+]1CC(N(CC)C(=O)c2snnc2C)C1 ZINC000949657706 613481720 /nfs/dbraw/zinc/48/17/20/613481720.db2.gz FNNNMNZWLJXCEY-UHFFFAOYSA-N 1 2 280.397 1.569 20 30 CDEDLO C=CCC[NH+]1CCN(C(=O)c2snnc2CC)CC1 ZINC000949160882 613512881 /nfs/dbraw/zinc/51/28/81/613512881.db2.gz PYWBOUIKONLUNK-UHFFFAOYSA-N 1 2 280.397 1.434 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCc2ccccc2F)CC1 ZINC000957627094 613561884 /nfs/dbraw/zinc/56/18/84/613561884.db2.gz BLDXRPHPKIEQFS-UHFFFAOYSA-N 1 2 288.366 1.926 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2cccc(F)c2F)CC1 ZINC000950732686 613564154 /nfs/dbraw/zinc/56/41/54/613564154.db2.gz SNFYUVNIBXJQKK-UHFFFAOYSA-N 1 2 292.329 1.675 20 30 CDEDLO C[C@H](CC(=O)OCCOCCC#N)n1cc[nH+]c1 ZINC000845285305 617362167 /nfs/dbraw/zinc/36/21/67/617362167.db2.gz HSIQCIWWFHOMMZ-LLVKDONJSA-N 1 2 251.286 1.308 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)C)C2)C1 ZINC000972648937 613570758 /nfs/dbraw/zinc/57/07/58/613570758.db2.gz DNMANSMNOMDSPE-MRXNPFEDSA-N 1 2 278.396 1.359 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)C)C2)C1 ZINC000972648937 613570759 /nfs/dbraw/zinc/57/07/59/613570759.db2.gz DNMANSMNOMDSPE-MRXNPFEDSA-N 1 2 278.396 1.359 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC(C)(C)C)C2)C1 ZINC000972260531 613570761 /nfs/dbraw/zinc/57/07/61/613570761.db2.gz BCGJCRZXXXNQRV-QGZVFWFLSA-N 1 2 292.423 1.749 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)CC(C)(C)C)C2)C1 ZINC000972260531 613570762 /nfs/dbraw/zinc/57/07/62/613570762.db2.gz BCGJCRZXXXNQRV-QGZVFWFLSA-N 1 2 292.423 1.749 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[C@H]2OC)C1 ZINC000950666883 613654497 /nfs/dbraw/zinc/65/44/97/613654497.db2.gz KABSRLZGFVLCAV-ZIAGYGMSSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2[nH]c(C)cc2C)C1 ZINC000950635471 613656015 /nfs/dbraw/zinc/65/60/15/613656015.db2.gz OMTYUQZHLNGJEW-UHFFFAOYSA-N 1 2 261.369 1.964 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CO[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000951122971 613708113 /nfs/dbraw/zinc/70/81/13/613708113.db2.gz OKNBYFVACFOSMA-HUUCEWRRSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]nc2C(C)C)CC1 ZINC000949046294 613714407 /nfs/dbraw/zinc/71/44/07/613714407.db2.gz NDDLPGDNMBIVSV-UHFFFAOYSA-N 1 2 262.357 1.477 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC000950668802 613715288 /nfs/dbraw/zinc/71/52/88/613715288.db2.gz BNKLTEVXWQWKOH-UHFFFAOYSA-N 1 2 260.341 1.231 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cncn2-c2ccccc2)CC1 ZINC000948762324 613718241 /nfs/dbraw/zinc/71/82/41/613718241.db2.gz VGXBOTJQTAWQLX-UHFFFAOYSA-N 1 2 296.374 1.816 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC3(F)F)C2)C1 ZINC000972373454 613724622 /nfs/dbraw/zinc/72/46/22/613724622.db2.gz KVLFGMFLSQJMRX-YPMHNXCESA-N 1 2 286.322 1.131 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC3(F)F)C2)C1 ZINC000972373454 613724625 /nfs/dbraw/zinc/72/46/25/613724625.db2.gz KVLFGMFLSQJMRX-YPMHNXCESA-N 1 2 286.322 1.131 20 30 CDEDLO C=CC[C@H](CO)Nc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000893162554 617422989 /nfs/dbraw/zinc/42/29/89/617422989.db2.gz NFJCJJOQKOHXRE-GHMZBOCLSA-N 1 2 266.345 1.008 20 30 CDEDLO C=CC[C@H](CO)Nc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000893162554 617422992 /nfs/dbraw/zinc/42/29/92/617422992.db2.gz NFJCJJOQKOHXRE-GHMZBOCLSA-N 1 2 266.345 1.008 20 30 CDEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2cncc3nc[nH]c32)C[C@@H]1C ZINC000947328381 613796186 /nfs/dbraw/zinc/79/61/86/613796186.db2.gz QPVYLCCHVRMPGV-RYUDHWBXSA-N 1 2 299.378 1.727 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2cncc3nc[nH]c32)C[C@@H]1C ZINC000947328381 613796189 /nfs/dbraw/zinc/79/61/89/613796189.db2.gz QPVYLCCHVRMPGV-RYUDHWBXSA-N 1 2 299.378 1.727 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccccc1O[C@@H](C)C(=O)OC ZINC000892058923 617451619 /nfs/dbraw/zinc/45/16/19/617451619.db2.gz NQWXTMHKZHALAU-AWEZNQCLSA-N 1 2 285.343 1.695 20 30 CDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H]1CO ZINC000934022488 617862102 /nfs/dbraw/zinc/86/21/02/617862102.db2.gz YNVYFUGVSKHRRX-ZFWWWQNUSA-N 1 2 287.363 1.388 20 30 CDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H]1CO ZINC000934022488 617862105 /nfs/dbraw/zinc/86/21/05/617862105.db2.gz YNVYFUGVSKHRRX-ZFWWWQNUSA-N 1 2 287.363 1.388 20 30 CDEDLO N#Cc1sc(N2CC[NH+]([C@H]3CCOC3)CC2)nc1Cl ZINC000804561828 618639189 /nfs/dbraw/zinc/63/91/89/618639189.db2.gz RLUKZBWDDBHSNO-VIFPVBQESA-N 1 2 298.799 1.579 20 30 CDEDLO CC(=[NH+]N1CCOCC1)c1cc(F)c(N)c(F)c1 ZINC000814696067 618721001 /nfs/dbraw/zinc/72/10/01/618721001.db2.gz DVMPDXKKNKVIBR-UHFFFAOYSA-N 1 2 255.268 1.603 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](CCC(=O)OC)C1 ZINC000880043958 618875280 /nfs/dbraw/zinc/87/52/80/618875280.db2.gz UPVJRKMJMUIHPO-NWDGAFQWSA-N 1 2 269.341 1.379 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](CCC(=O)OC)C1 ZINC000880043958 618875284 /nfs/dbraw/zinc/87/52/84/618875284.db2.gz UPVJRKMJMUIHPO-NWDGAFQWSA-N 1 2 269.341 1.379 20 30 CDEDLO COc1cc(F)cc(OC)c1C[NH2+][C@H]1CCCN(O)C1=O ZINC000895158406 619375164 /nfs/dbraw/zinc/37/51/64/619375164.db2.gz ZUMDEGHCKXZDMU-NSHDSACASA-N 1 2 298.314 1.313 20 30 CDEDLO C=C1CCC(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000896187164 620020995 /nfs/dbraw/zinc/02/09/95/620020995.db2.gz OBPJGVRELZBBPX-ZIAGYGMSSA-N 1 2 280.412 1.958 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)C#Cc1ccccc1 ZINC000928642959 620297731 /nfs/dbraw/zinc/29/77/31/620297731.db2.gz XJYYFSGCGVLUSZ-MRXNPFEDSA-N 1 2 286.375 1.265 20 30 CDEDLO C#CC[N@H+](CN1C(=O)[C@]2(CCCO2)[C@@H]1C1CC1)C(C)C ZINC000905747713 626944283 /nfs/dbraw/zinc/94/42/83/626944283.db2.gz BAFRQWSIEXBQHO-HOCLYGCPSA-N 1 2 276.380 1.458 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)[C@]2(CCCO2)[C@@H]1C1CC1)C(C)C ZINC000905747713 626944286 /nfs/dbraw/zinc/94/42/86/626944286.db2.gz BAFRQWSIEXBQHO-HOCLYGCPSA-N 1 2 276.380 1.458 20 30 CDEDLO C[C@@H](NC(=O)c1ccsc1C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000906582936 627337223 /nfs/dbraw/zinc/33/72/23/627337223.db2.gz RIQSYWHOIHZZAT-GHMZBOCLSA-N 1 2 293.392 1.459 20 30 CDEDLO Cc1ccc(C(=O)/C=C/C(=O)NC2C[NH+](C(C)C)C2)cc1 ZINC000907518700 627712209 /nfs/dbraw/zinc/71/22/09/627712209.db2.gz DAVYHMFNLBBHAX-CMDGGOBGSA-N 1 2 286.375 1.943 20 30 CDEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000908658795 628319151 /nfs/dbraw/zinc/31/91/51/628319151.db2.gz GKXWCUFVWKDWCA-LLVKDONJSA-N 1 2 261.325 1.479 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)c2ccsc2C#N)[C@@H](C)CO1 ZINC000912387893 629978058 /nfs/dbraw/zinc/97/80/58/629978058.db2.gz CRFHXBFERHNPMC-QWRGUYRKSA-N 1 2 293.392 1.459 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccsc2C#N)[C@@H](C)CO1 ZINC000912387893 629978063 /nfs/dbraw/zinc/97/80/63/629978063.db2.gz CRFHXBFERHNPMC-QWRGUYRKSA-N 1 2 293.392 1.459 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc(NC)s2)C1 ZINC000923594933 630632428 /nfs/dbraw/zinc/63/24/28/630632428.db2.gz OLXUEGXBXZBPIK-SNVBAGLBSA-N 1 2 278.381 1.012 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc(NC)s2)C1 ZINC000923594933 630632430 /nfs/dbraw/zinc/63/24/30/630632430.db2.gz OLXUEGXBXZBPIK-SNVBAGLBSA-N 1 2 278.381 1.012 20 30 CDEDLO CC#CC(=O)N1CC[NH+](Cc2ccc(CC)cc2)CC1 ZINC000915046009 631633633 /nfs/dbraw/zinc/63/36/33/631633633.db2.gz GOCVUFFBOQQXLJ-UHFFFAOYSA-N 1 2 270.376 1.917 20 30 CDEDLO N#C[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)C1CCCC1 ZINC000921552659 633075379 /nfs/dbraw/zinc/07/53/79/633075379.db2.gz XZQCCZCKCGNDBL-JHAQOBCDSA-N 1 2 277.368 1.073 20 30 CDEDLO CCOC(=O)[C@@H](C#N)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001170370446 1162344956 /nfs/dbraw/zinc/34/49/56/1162344956.db2.gz XZQNESDRWQGWGG-CQSZACIVSA-N 1 2 284.319 1.799 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(C)on3)C[C@H]21 ZINC001114005039 1162400042 /nfs/dbraw/zinc/40/00/42/1162400042.db2.gz MZPLRJYIOKTNBL-NHAGDIPZSA-N 1 2 275.352 1.496 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C)on3)C[C@H]21 ZINC001114005039 1162400044 /nfs/dbraw/zinc/40/00/44/1162400044.db2.gz MZPLRJYIOKTNBL-NHAGDIPZSA-N 1 2 275.352 1.496 20 30 CDEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)/C(C)=C\CC)CC1 ZINC001131339386 1162868902 /nfs/dbraw/zinc/86/89/02/1162868902.db2.gz ASYJGNMYWZLDCH-NSIKDUERSA-N 1 2 293.411 1.179 20 30 CDEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)/C(C)=C\CC)CC1 ZINC001131339386 1162868905 /nfs/dbraw/zinc/86/89/05/1162868905.db2.gz ASYJGNMYWZLDCH-NSIKDUERSA-N 1 2 293.411 1.179 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)C2(COCC)CC2)CC1 ZINC001113028213 1162076556 /nfs/dbraw/zinc/07/65/56/1162076556.db2.gz UPOSCPNGIWFRDV-UHFFFAOYSA-N 1 2 266.385 1.523 20 30 CDEDLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)Nc1ccc(C#N)cn1 ZINC001113314835 1162152667 /nfs/dbraw/zinc/15/26/67/1162152667.db2.gz WINZPSVEZIYBNG-QWRGUYRKSA-N 1 2 298.350 1.224 20 30 CDEDLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)Nc1ccc(C#N)nc1 ZINC001113314956 1162153231 /nfs/dbraw/zinc/15/32/31/1162153231.db2.gz WQCKYVDYEUTGFC-QWRGUYRKSA-N 1 2 298.350 1.224 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001132569057 1163377599 /nfs/dbraw/zinc/37/75/99/1163377599.db2.gz KCSIFYNSSTXVAB-QWRGUYRKSA-N 1 2 280.372 1.296 20 30 CDEDLO O=C1C(=Cc2[nH]cc[nH+]2)Cc2ccc(-c3nn[nH]n3)cc21 ZINC001609585816 1164999483 /nfs/dbraw/zinc/99/94/83/1164999483.db2.gz GRFNIYGZGMESQD-YFHOEESVSA-N 1 2 278.275 1.412 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1c[nH]nn1 ZINC001575049293 1171096681 /nfs/dbraw/zinc/09/66/81/1171096681.db2.gz JWOLVEBGKWBBLJ-GXTWGEPZSA-N 1 2 291.399 1.536 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cn[nH]n1 ZINC001575049293 1171096688 /nfs/dbraw/zinc/09/66/88/1171096688.db2.gz JWOLVEBGKWBBLJ-GXTWGEPZSA-N 1 2 291.399 1.536 20 30 CDEDLO C[C@H](CC(=O)N1CCCC[C@H]1CNCC#N)n1cc[nH+]c1 ZINC001714136901 1178988030 /nfs/dbraw/zinc/98/80/30/1178988030.db2.gz SDJJYJJNGBMWFV-KGLIPLIRSA-N 1 2 289.383 1.328 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)Cc2ccco2)C1 ZINC001732136408 1182795022 /nfs/dbraw/zinc/79/50/22/1182795022.db2.gz VBLVBHHTXSQWPZ-UHFFFAOYSA-N 1 2 268.744 1.623 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H](C)C[NH2+]Cc1nc(N(C)C)no1 ZINC001754268847 1185542651 /nfs/dbraw/zinc/54/26/51/1185542651.db2.gz NKANXSLZMQAVSD-NSHDSACASA-N 1 2 295.387 1.086 20 30 CDEDLO C=CCOCC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)c1ncc(C)o1 ZINC001754304698 1185563553 /nfs/dbraw/zinc/56/35/53/1185563553.db2.gz GHTRUJVELUSDLH-WCQYABFASA-N 1 2 295.383 1.683 20 30 CDEDLO C=CCOCC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)c1ncc(C)o1 ZINC001754304698 1185563558 /nfs/dbraw/zinc/56/35/58/1185563558.db2.gz GHTRUJVELUSDLH-WCQYABFASA-N 1 2 295.383 1.683 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)CCCC)C1=O ZINC001754473380 1185632552 /nfs/dbraw/zinc/63/25/52/1185632552.db2.gz JJVOSODOLXEXRG-KGLIPLIRSA-N 1 2 293.411 1.154 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)CCCC)C1=O ZINC001754473380 1185632555 /nfs/dbraw/zinc/63/25/55/1185632555.db2.gz JJVOSODOLXEXRG-KGLIPLIRSA-N 1 2 293.411 1.154 20 30 CDEDLO CC#CCCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1conc1C ZINC001754491005 1185641007 /nfs/dbraw/zinc/64/10/07/1185641007.db2.gz AJBKYFSUEFHWPT-HNNXBMFYSA-N 1 2 289.379 1.867 20 30 CDEDLO CC#CCCCC(=O)NC[C@@H]1CC[N@H+]1Cc1conc1C ZINC001754491005 1185641010 /nfs/dbraw/zinc/64/10/10/1185641010.db2.gz AJBKYFSUEFHWPT-HNNXBMFYSA-N 1 2 289.379 1.867 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)COc1ccc(CC)cc1 ZINC001754500282 1185645600 /nfs/dbraw/zinc/64/56/00/1185645600.db2.gz IIQLWSHRVREADR-OAHLLOKOSA-N 1 2 286.375 1.452 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)COc1ccc(CC)cc1 ZINC001754500282 1185645604 /nfs/dbraw/zinc/64/56/04/1185645604.db2.gz IIQLWSHRVREADR-OAHLLOKOSA-N 1 2 286.375 1.452 20 30 CDEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)CC(C)(C)COC)C1 ZINC001755335618 1185922435 /nfs/dbraw/zinc/92/24/35/1185922435.db2.gz OJXBFPJHYFWLHR-UHFFFAOYSA-N 1 2 298.427 1.178 20 30 CDEDLO C=CC[NH+]1CCN(c2ncc(C(=O)OCC)c(C)n2)CC1 ZINC001165031473 721866603 /nfs/dbraw/zinc/86/66/03/721866603.db2.gz KYOKDWKTRCDAHO-UHFFFAOYSA-N 1 2 290.367 1.270 20 30 CDEDLO C=CC[NH+]1CCN(c2ccc(Cl)c[n+]2[O-])CC1 ZINC001165032391 721869676 /nfs/dbraw/zinc/86/96/76/721869676.db2.gz QAHBWQOQNCRRIT-UHFFFAOYSA-N 1 2 253.733 1.281 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C2CCC2)C1 ZINC001073505947 758848792 /nfs/dbraw/zinc/84/87/92/758848792.db2.gz KRUWGMPCWHGEAL-ZDUSSCGKSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C2CCC2)C1 ZINC001073505947 758848794 /nfs/dbraw/zinc/84/87/94/758848794.db2.gz KRUWGMPCWHGEAL-ZDUSSCGKSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)CC1CC1)CO2 ZINC001053720333 758849550 /nfs/dbraw/zinc/84/95/50/758849550.db2.gz UEOLZSOGPJYEHM-CYBMUJFWSA-N 1 2 264.369 1.322 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccnn2CCC)C1 ZINC001042803724 758858323 /nfs/dbraw/zinc/85/83/23/758858323.db2.gz ZHFKAFCQZAUOLA-UHFFFAOYSA-N 1 2 274.368 1.073 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCOC2)C1 ZINC001046175795 758859500 /nfs/dbraw/zinc/85/95/00/758859500.db2.gz ACIMTAGSJIPHKT-AAEUAGOBSA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCOC2)C1 ZINC001046175795 758859503 /nfs/dbraw/zinc/85/95/03/758859503.db2.gz ACIMTAGSJIPHKT-AAEUAGOBSA-N 1 2 272.776 1.356 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H](C)c2c(C)nn(C)c2C)C1 ZINC001044369782 758875266 /nfs/dbraw/zinc/87/52/66/758875266.db2.gz STFICEJADSHWAF-NSHDSACASA-N 1 2 290.411 1.469 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2nocc2C)C1 ZINC001046760927 758894820 /nfs/dbraw/zinc/89/48/20/758894820.db2.gz VAEQAMIPJOXNJO-ZDUSSCGKSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2nocc2C)C1 ZINC001046760927 758894817 /nfs/dbraw/zinc/89/48/17/758894817.db2.gz VAEQAMIPJOXNJO-ZDUSSCGKSA-N 1 2 283.759 1.930 20 30 CDEDLO CN(CC#N)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001027491759 758926719 /nfs/dbraw/zinc/92/67/19/758926719.db2.gz XWMDPMVRPFJOMY-ZDUSSCGKSA-N 1 2 297.362 1.394 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C1=CCOCC1 ZINC001445711755 966297623 /nfs/dbraw/zinc/29/76/23/966297623.db2.gz NONSRJGTOPYYLA-NSHDSACASA-N 1 2 272.776 1.522 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C1=CCOCC1 ZINC001445711755 966297629 /nfs/dbraw/zinc/29/76/29/966297629.db2.gz NONSRJGTOPYYLA-NSHDSACASA-N 1 2 272.776 1.522 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccns2)[C@H]1C ZINC000993391512 769500583 /nfs/dbraw/zinc/50/05/83/769500583.db2.gz GTDTZVTYQJHSNQ-NEPJUHHUSA-N 1 2 277.393 1.749 20 30 CDEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccns2)[C@H]1C ZINC000993391512 769500600 /nfs/dbraw/zinc/50/06/00/769500600.db2.gz GTDTZVTYQJHSNQ-NEPJUHHUSA-N 1 2 277.393 1.749 20 30 CDEDLO CC(C)N(C)c1ccc(C=[NH+]NC(=S)N(C)C)cn1 ZINC000790162647 768820873 /nfs/dbraw/zinc/82/08/73/768820873.db2.gz ZNEQFIVHDPCUQK-UHFFFAOYSA-N 1 2 279.413 1.696 20 30 CDEDLO CC[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1NCC#N ZINC001037965109 768826569 /nfs/dbraw/zinc/82/65/69/768826569.db2.gz CGBGNQZJLSMKDV-STQMWFEESA-N 1 2 289.383 1.001 20 30 CDEDLO C#CCCCNc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000840268353 768837776 /nfs/dbraw/zinc/83/77/76/768837776.db2.gz LCRXMXJNKWKSJP-STQMWFEESA-N 1 2 274.368 1.509 20 30 CDEDLO C#CCCCNc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000840268353 768837778 /nfs/dbraw/zinc/83/77/78/768837778.db2.gz LCRXMXJNKWKSJP-STQMWFEESA-N 1 2 274.368 1.509 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)ncn2C ZINC001038432569 768846503 /nfs/dbraw/zinc/84/65/03/768846503.db2.gz XBWWFAKCADLPPQ-AWEZNQCLSA-N 1 2 296.374 1.401 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)ncn2C ZINC001038432569 768846510 /nfs/dbraw/zinc/84/65/10/768846510.db2.gz XBWWFAKCADLPPQ-AWEZNQCLSA-N 1 2 296.374 1.401 20 30 CDEDLO CCCc1nc(CO[NH+]=C(N)c2ccccc2)no1 ZINC000171729215 768847766 /nfs/dbraw/zinc/84/77/66/768847766.db2.gz DPBBOHMUWXSBOU-UHFFFAOYSA-N 1 2 260.297 1.859 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1CCCC1)CO2 ZINC001053715790 768856276 /nfs/dbraw/zinc/85/62/76/768856276.db2.gz FEGHUIJXUOQCLB-AWEZNQCLSA-N 1 2 278.396 1.712 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1OC ZINC001032603276 768858971 /nfs/dbraw/zinc/85/89/71/768858971.db2.gz VFHIGBOUOCXJLJ-STQMWFEESA-N 1 2 285.347 1.012 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1OC ZINC001032603276 768858973 /nfs/dbraw/zinc/85/89/73/768858973.db2.gz VFHIGBOUOCXJLJ-STQMWFEESA-N 1 2 285.347 1.012 20 30 CDEDLO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCc2cnn[nH]2)[C@@H]1C ZINC000987024774 768863126 /nfs/dbraw/zinc/86/31/26/768863126.db2.gz HDSXXQJQPSIGPC-PWSUYJOCSA-N 1 2 297.790 1.069 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)[nH]nc1Cl ZINC001038336333 769013528 /nfs/dbraw/zinc/01/35/28/769013528.db2.gz SFAJYVORLWSJES-JTQLQIEISA-N 1 2 280.759 1.199 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)[nH]nc1Cl ZINC001038336333 769013539 /nfs/dbraw/zinc/01/35/39/769013539.db2.gz SFAJYVORLWSJES-JTQLQIEISA-N 1 2 280.759 1.199 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C)co1)CO2 ZINC001053899021 769017278 /nfs/dbraw/zinc/01/72/78/769017278.db2.gz GMXYDZVVUNWPGJ-CYBMUJFWSA-N 1 2 290.363 1.737 20 30 CDEDLO CC[C@H](C(N)=O)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879589835 769038609 /nfs/dbraw/zinc/03/86/09/769038609.db2.gz YRKIZMNOHJTVCC-CYBMUJFWSA-N 1 2 290.342 1.083 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)c2ccnn2C)C1 ZINC001014467123 769045717 /nfs/dbraw/zinc/04/57/17/769045717.db2.gz CYTTUTCFXCHSDC-NWDGAFQWSA-N 1 2 296.802 1.467 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)c2ccnn2C)C1 ZINC001014467123 769045729 /nfs/dbraw/zinc/04/57/29/769045729.db2.gz CYTTUTCFXCHSDC-NWDGAFQWSA-N 1 2 296.802 1.467 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C(C)(C)C=C)CCO2 ZINC001053375108 769125930 /nfs/dbraw/zinc/12/59/30/769125930.db2.gz YYJOXIAXXGZKRN-UHFFFAOYSA-N 1 2 278.396 1.688 20 30 CDEDLO N#CCC[N@@H+](CCc1cccs1)CCN1CCOCC1 ZINC000174830548 769213536 /nfs/dbraw/zinc/21/35/36/769213536.db2.gz GHTQVVMOJOJWJF-UHFFFAOYSA-N 1 2 293.436 1.838 20 30 CDEDLO N#CCC[N@H+](CCc1cccs1)CCN1CCOCC1 ZINC000174830548 769213546 /nfs/dbraw/zinc/21/35/46/769213546.db2.gz GHTQVVMOJOJWJF-UHFFFAOYSA-N 1 2 293.436 1.838 20 30 CDEDLO N#CCCN(CCc1cccs1)CC[NH+]1CCOCC1 ZINC000174830548 769213555 /nfs/dbraw/zinc/21/35/55/769213555.db2.gz GHTQVVMOJOJWJF-UHFFFAOYSA-N 1 2 293.436 1.838 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C1CCC(F)CC1 ZINC001051093518 769224722 /nfs/dbraw/zinc/22/47/22/769224722.db2.gz OAVCFVPCCHOQJO-NRXISQOPSA-N 1 2 298.402 1.908 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CCC(F)CC1 ZINC001051093518 769224735 /nfs/dbraw/zinc/22/47/35/769224735.db2.gz OAVCFVPCCHOQJO-NRXISQOPSA-N 1 2 298.402 1.908 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000815340215 769267157 /nfs/dbraw/zinc/26/71/57/769267157.db2.gz RTJDFBJPHKUHMW-UHFFFAOYSA-N 1 2 268.276 1.596 20 30 CDEDLO CN(C(=O)CO[NH+]=C(N)Cc1cccnc1)c1ccccc1 ZINC000137656353 769305906 /nfs/dbraw/zinc/30/59/06/769305906.db2.gz ZJKWISDHQYNMJZ-UHFFFAOYSA-N 1 2 298.346 1.576 20 30 CDEDLO COCCCO[NH+]=C1CCCc2nc(N)sc21 ZINC000814931088 769330692 /nfs/dbraw/zinc/33/06/92/769330692.db2.gz HLXBVRLYHVTEQE-UHFFFAOYSA-N 1 2 255.343 1.819 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ncccc2OCC)C1 ZINC001044384296 769523773 /nfs/dbraw/zinc/52/37/73/769523773.db2.gz FNADCATWZDIQIV-UHFFFAOYSA-N 1 2 287.363 1.260 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnoc1-c1ccccc1 ZINC001038857968 769572109 /nfs/dbraw/zinc/57/21/09/769572109.db2.gz AQJIBGMHRBUXHF-CQSZACIVSA-N 1 2 295.342 1.779 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnoc1-c1ccccc1 ZINC001038857968 769572138 /nfs/dbraw/zinc/57/21/38/769572138.db2.gz AQJIBGMHRBUXHF-CQSZACIVSA-N 1 2 295.342 1.779 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C3(CF)CC3)C[C@@H]21 ZINC001074336025 769607541 /nfs/dbraw/zinc/60/75/41/769607541.db2.gz IZDPBGOVVIBESN-KBPBESRZSA-N 1 2 296.386 1.614 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3(CF)CC3)C[C@@H]21 ZINC001074336025 769607570 /nfs/dbraw/zinc/60/75/70/769607570.db2.gz IZDPBGOVVIBESN-KBPBESRZSA-N 1 2 296.386 1.614 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncc(F)cc1F ZINC001038414412 769616453 /nfs/dbraw/zinc/61/64/53/769616453.db2.gz BLHHRUHOCSCRNQ-NSHDSACASA-N 1 2 279.290 1.187 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ncc(F)cc1F ZINC001038414412 769616459 /nfs/dbraw/zinc/61/64/59/769616459.db2.gz BLHHRUHOCSCRNQ-NSHDSACASA-N 1 2 279.290 1.187 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc3ccccc3[nH]2)C1 ZINC001044274470 769812231 /nfs/dbraw/zinc/81/22/31/769812231.db2.gz VWNMKZSQCLTHCW-UHFFFAOYSA-N 1 2 281.359 1.947 20 30 CDEDLO N#C[C@]1(C(=O)OCCn2cc[nH+]c2)CC12CCCC2 ZINC000837903970 769816680 /nfs/dbraw/zinc/81/66/80/769816680.db2.gz VIDWLBXKHZFLGI-AWEZNQCLSA-N 1 2 259.309 1.900 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001010647054 769829868 /nfs/dbraw/zinc/82/98/68/769829868.db2.gz YMDPELZDBMAUTO-GHMZBOCLSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001010647054 769829869 /nfs/dbraw/zinc/82/98/69/769829869.db2.gz YMDPELZDBMAUTO-GHMZBOCLSA-N 1 2 256.777 1.976 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nn(C)cc1C ZINC001017547410 769860494 /nfs/dbraw/zinc/86/04/94/769860494.db2.gz DAPATBDUHCIPKC-BETUJISGSA-N 1 2 274.368 1.203 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nn(C)cc1C ZINC001017547410 769860495 /nfs/dbraw/zinc/86/04/95/769860495.db2.gz DAPATBDUHCIPKC-BETUJISGSA-N 1 2 274.368 1.203 20 30 CDEDLO C#CCC[NH+]1CCN(C[C@@H](CC(C)C)OC)CC1 ZINC000842153937 769863095 /nfs/dbraw/zinc/86/30/95/769863095.db2.gz POQYWJHUDDIAJX-OAHLLOKOSA-N 1 2 252.402 1.688 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2ncn(C)c21 ZINC001038426998 770064666 /nfs/dbraw/zinc/06/46/66/770064666.db2.gz MLMXCFDPMZRTRB-LBPRGKRZSA-N 1 2 282.347 1.011 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2ncn(C)c21 ZINC001038426998 770064680 /nfs/dbraw/zinc/06/46/80/770064680.db2.gz MLMXCFDPMZRTRB-LBPRGKRZSA-N 1 2 282.347 1.011 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1ccc(F)cc1 ZINC000884054166 770091282 /nfs/dbraw/zinc/09/12/82/770091282.db2.gz TYGDTGMKWDOCJU-ZDUSSCGKSA-N 1 2 294.326 1.231 20 30 CDEDLO C[C@H](C#N)OCC[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000801935497 770244855 /nfs/dbraw/zinc/24/48/55/770244855.db2.gz GCBXXBUEYHNQBF-GHMZBOCLSA-N 1 2 279.306 1.483 20 30 CDEDLO C[C@H](C#N)OCC[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000801935497 770244948 /nfs/dbraw/zinc/24/49/48/770244948.db2.gz GCBXXBUEYHNQBF-GHMZBOCLSA-N 1 2 279.306 1.483 20 30 CDEDLO CC(=NN[C@H]1CCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000788440724 770347186 /nfs/dbraw/zinc/34/71/86/770347186.db2.gz XFSXJRUCMQFBNC-AWEZNQCLSA-N 1 2 270.336 1.975 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)NCc1ccc(OCC#N)cc1 ZINC000290913796 770436307 /nfs/dbraw/zinc/43/63/07/770436307.db2.gz WRVVUSHXGWYIEM-UHFFFAOYSA-N 1 2 299.334 1.322 20 30 CDEDLO N#C[C@@]1(NC(=O)Cc2[nH]cc[nH+]2)CCc2ccccc2C1 ZINC000832335339 770600892 /nfs/dbraw/zinc/60/08/92/770600892.db2.gz BCKIBXWQJFYUFH-MRXNPFEDSA-N 1 2 280.331 1.520 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2sc(C3CC3)nc2C)C1 ZINC001014401943 770620875 /nfs/dbraw/zinc/62/08/75/770620875.db2.gz UBHPOKMHESRLHT-LBPRGKRZSA-N 1 2 289.404 1.766 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2sc(C3CC3)nc2C)C1 ZINC001014401943 770620918 /nfs/dbraw/zinc/62/09/18/770620918.db2.gz UBHPOKMHESRLHT-LBPRGKRZSA-N 1 2 289.404 1.766 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)C1CC1 ZINC001032391397 770660095 /nfs/dbraw/zinc/66/00/95/770660095.db2.gz XDTVWQGVTROEDQ-KBPBESRZSA-N 1 2 260.381 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)C1CC1 ZINC001032391397 770660123 /nfs/dbraw/zinc/66/01/23/770660123.db2.gz XDTVWQGVTROEDQ-KBPBESRZSA-N 1 2 260.381 1.731 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](CNC(=O)c2cncc3nc[nH]c32)C1 ZINC001028556518 770731510 /nfs/dbraw/zinc/73/15/10/770731510.db2.gz ZEJHPBRVEIMLKI-GFCCVEGCSA-N 1 2 297.362 1.033 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](CNC(=O)c2cncc3nc[nH]c32)C1 ZINC001028556518 770731515 /nfs/dbraw/zinc/73/15/15/770731515.db2.gz ZEJHPBRVEIMLKI-GFCCVEGCSA-N 1 2 297.362 1.033 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccoc1C ZINC001050813221 770775796 /nfs/dbraw/zinc/77/57/96/770775796.db2.gz RUZKERARCQFEEO-AWEZNQCLSA-N 1 2 292.379 1.985 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccoc1C ZINC001050813221 770775839 /nfs/dbraw/zinc/77/58/39/770775839.db2.gz RUZKERARCQFEEO-AWEZNQCLSA-N 1 2 292.379 1.985 20 30 CDEDLO CC(C)c1nnc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC001018629837 770791073 /nfs/dbraw/zinc/79/10/73/770791073.db2.gz BBMQTLDATRFWMD-QWRGUYRKSA-N 1 2 291.355 1.043 20 30 CDEDLO C#CCN(C(=O)Nc1ccc2[nH+]ccn2c1)C1CC1 ZINC000836417245 770811415 /nfs/dbraw/zinc/81/14/15/770811415.db2.gz LEPFLBXKDPGNJM-UHFFFAOYSA-N 1 2 254.293 1.964 20 30 CDEDLO C#C[C@@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000826547690 770825024 /nfs/dbraw/zinc/82/50/24/770825024.db2.gz DCXRAEZKMZIJHT-HUUCEWRRSA-N 1 2 294.358 1.872 20 30 CDEDLO C(=NN[C@H]1CCCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000780261094 770828873 /nfs/dbraw/zinc/82/88/73/770828873.db2.gz KQTYRDOPPWWKMO-AWEZNQCLSA-N 1 2 270.336 1.975 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1 ZINC001017669236 770869197 /nfs/dbraw/zinc/86/91/97/770869197.db2.gz LEJJNCZXQIEQGL-IYBDPMFKSA-N 1 2 268.360 1.538 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1 ZINC001017669236 770869199 /nfs/dbraw/zinc/86/91/99/770869199.db2.gz LEJJNCZXQIEQGL-IYBDPMFKSA-N 1 2 268.360 1.538 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001015720510 770873563 /nfs/dbraw/zinc/87/35/63/770873563.db2.gz CIBZHBDFNYYCGG-UPJWGTAASA-N 1 2 284.787 1.521 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001015720510 770873564 /nfs/dbraw/zinc/87/35/64/770873564.db2.gz CIBZHBDFNYYCGG-UPJWGTAASA-N 1 2 284.787 1.521 20 30 CDEDLO COc1ccc(C[NH2+][C@H](C)c2cc(CO)on2)cc1C#N ZINC000925585298 770892951 /nfs/dbraw/zinc/89/29/51/770892951.db2.gz SZDIGLXJDICVQO-SNVBAGLBSA-N 1 2 287.319 1.898 20 30 CDEDLO C#CCOCC[N@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000851805475 770895522 /nfs/dbraw/zinc/89/55/22/770895522.db2.gz BYGDWYYPCGVLQR-KBPBESRZSA-N 1 2 295.404 1.522 20 30 CDEDLO C#CCOCC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000851805475 770895523 /nfs/dbraw/zinc/89/55/23/770895523.db2.gz BYGDWYYPCGVLQR-KBPBESRZSA-N 1 2 295.404 1.522 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nc2ccccc2o1 ZINC000820896935 771018592 /nfs/dbraw/zinc/01/85/92/771018592.db2.gz ZORZVUNZRPVBOJ-ZDUSSCGKSA-N 1 2 283.331 1.542 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nc2ccccc2o1 ZINC000820896935 771018601 /nfs/dbraw/zinc/01/86/01/771018601.db2.gz ZORZVUNZRPVBOJ-ZDUSSCGKSA-N 1 2 283.331 1.542 20 30 CDEDLO C#CC[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C(=O)OC ZINC000877584325 771066016 /nfs/dbraw/zinc/06/60/16/771066016.db2.gz ZXMSJDAHCRWFBB-XUXIUFHCSA-N 1 2 277.364 1.489 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1C=CCC1)CO2 ZINC001053734716 771115363 /nfs/dbraw/zinc/11/53/63/771115363.db2.gz RHICKPZWQQWYBO-HUUCEWRRSA-N 1 2 290.407 1.878 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000923159279 771146466 /nfs/dbraw/zinc/14/64/66/771146466.db2.gz CMQDRKHGHSVIGA-BFHYXJOUSA-N 1 2 283.368 1.232 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000923159279 771146472 /nfs/dbraw/zinc/14/64/72/771146472.db2.gz CMQDRKHGHSVIGA-BFHYXJOUSA-N 1 2 283.368 1.232 20 30 CDEDLO C=C(C)CONC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000845601808 771148742 /nfs/dbraw/zinc/14/87/42/771148742.db2.gz OXHBBGXVMVTKNZ-CHWSQXEVSA-N 1 2 278.356 1.983 20 30 CDEDLO C#Cc1cccc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000854262735 771240324 /nfs/dbraw/zinc/24/03/24/771240324.db2.gz KNTWHMKFUGIMKD-INIZCTEOSA-N 1 2 299.374 1.606 20 30 CDEDLO COC(=O)c1ccc(N=NCc2c[nH+]c3n2CCC3)nc1 ZINC000853325489 771254454 /nfs/dbraw/zinc/25/44/54/771254454.db2.gz LOSAMEQYPQWMJN-UHFFFAOYSA-N 1 2 285.307 1.457 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)[C@@H](C)CC ZINC000884394835 771255218 /nfs/dbraw/zinc/25/52/18/771255218.db2.gz OHQQZBZHKSWFEB-QWRGUYRKSA-N 1 2 256.346 1.080 20 30 CDEDLO C[C@H]1[C@H]([NH2+]Cc2csnn2)CCN1C(=O)C#CC1CC1 ZINC000986283694 771382364 /nfs/dbraw/zinc/38/23/64/771382364.db2.gz YEAKGBMEFMBXRP-GXFFZTMASA-N 1 2 290.392 1.031 20 30 CDEDLO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1snnc1CC ZINC001024538540 771397642 /nfs/dbraw/zinc/39/76/42/771397642.db2.gz QBSGRADGAXDMIY-LLVKDONJSA-N 1 2 292.408 1.318 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1snnc1CC ZINC001024538540 771397648 /nfs/dbraw/zinc/39/76/48/771397648.db2.gz QBSGRADGAXDMIY-LLVKDONJSA-N 1 2 292.408 1.318 20 30 CDEDLO C[C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)CCN1CC#N ZINC000947540806 771438104 /nfs/dbraw/zinc/43/81/04/771438104.db2.gz YQVXRIDPYKZJPT-QWHCGFSZSA-N 1 2 297.362 1.441 20 30 CDEDLO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]nnc2c1 ZINC001039014460 771529379 /nfs/dbraw/zinc/52/93/79/771529379.db2.gz YYNXZLOXCPBAQH-GFCCVEGCSA-N 1 2 285.351 1.338 20 30 CDEDLO C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]nnc2c1 ZINC001039014460 771529392 /nfs/dbraw/zinc/52/93/92/771529392.db2.gz YYNXZLOXCPBAQH-GFCCVEGCSA-N 1 2 285.351 1.338 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cc1noc2c1COCC2 ZINC000931071577 771565258 /nfs/dbraw/zinc/56/52/58/771565258.db2.gz QUZNAJYCWKVCJF-UHFFFAOYSA-N 1 2 264.325 1.219 20 30 CDEDLO C#CCC[N@H+](CCOC)Cc1noc2c1COCC2 ZINC000931071577 771565269 /nfs/dbraw/zinc/56/52/69/771565269.db2.gz QUZNAJYCWKVCJF-UHFFFAOYSA-N 1 2 264.325 1.219 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccn1C(C)C ZINC001039024873 771589420 /nfs/dbraw/zinc/58/94/20/771589420.db2.gz LXZVJDNEIFUQAG-CYBMUJFWSA-N 1 2 259.353 1.506 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccn1C(C)C ZINC001039024873 771589424 /nfs/dbraw/zinc/58/94/24/771589424.db2.gz LXZVJDNEIFUQAG-CYBMUJFWSA-N 1 2 259.353 1.506 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(C)nn2)C1 ZINC001046305942 771609374 /nfs/dbraw/zinc/60/93/74/771609374.db2.gz SDBLYUWQELOOIL-AWEZNQCLSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C)nn2)C1 ZINC001046305942 771609383 /nfs/dbraw/zinc/60/93/83/771609383.db2.gz SDBLYUWQELOOIL-AWEZNQCLSA-N 1 2 294.786 1.732 20 30 CDEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2cccc(C#N)c2F)C1 ZINC000805471818 771610854 /nfs/dbraw/zinc/61/08/54/771610854.db2.gz USMAZIRQLLPVII-CYBMUJFWSA-N 1 2 292.310 1.461 20 30 CDEDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2cccc(C#N)c2F)C1 ZINC000805471818 771610860 /nfs/dbraw/zinc/61/08/60/771610860.db2.gz USMAZIRQLLPVII-CYBMUJFWSA-N 1 2 292.310 1.461 20 30 CDEDLO C#CCOCC[N@@H+](CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000851722907 771651382 /nfs/dbraw/zinc/65/13/82/771651382.db2.gz SYPYTZBKABHYOL-UHFFFAOYSA-N 1 2 285.347 1.807 20 30 CDEDLO C#CCOCC[N@H+](CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000851722907 771651400 /nfs/dbraw/zinc/65/14/00/771651400.db2.gz SYPYTZBKABHYOL-UHFFFAOYSA-N 1 2 285.347 1.807 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3onc(CC)c3c2)C1 ZINC001031441726 771720774 /nfs/dbraw/zinc/72/07/74/771720774.db2.gz LZDYRTBTVDUPPQ-UHFFFAOYSA-N 1 2 298.346 1.223 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccsc1)CO2 ZINC001053732444 771818111 /nfs/dbraw/zinc/81/81/11/771818111.db2.gz VAPZWIRSKSMQQK-CYBMUJFWSA-N 1 2 292.404 1.897 20 30 CDEDLO C=CCC1(O)CC[NH+]([C@H](C)c2nnnn2C2CC2)CC1 ZINC000886776796 771826646 /nfs/dbraw/zinc/82/66/46/771826646.db2.gz PMNZAJMYAJJHAN-LLVKDONJSA-N 1 2 277.372 1.472 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC=CCC1 ZINC001032565533 771837467 /nfs/dbraw/zinc/83/74/67/771837467.db2.gz NFYNXXJHXBNAHO-KKUMJFAQSA-N 1 2 258.365 1.651 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC=CCC1 ZINC001032565533 771837469 /nfs/dbraw/zinc/83/74/69/771837469.db2.gz NFYNXXJHXBNAHO-KKUMJFAQSA-N 1 2 258.365 1.651 20 30 CDEDLO C#C[C@H](C)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000186014858 771850421 /nfs/dbraw/zinc/85/04/21/771850421.db2.gz ZYMSCYHXBIFQDZ-ZDUSSCGKSA-N 1 2 286.379 1.893 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874890882 771858431 /nfs/dbraw/zinc/85/84/31/771858431.db2.gz BHHXZIBEJJXWCY-ZBFHGGJFSA-N 1 2 292.354 1.626 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)n1 ZINC000876680294 771859230 /nfs/dbraw/zinc/85/92/30/771859230.db2.gz ZDRYXCWRCHKEJN-CQSZACIVSA-N 1 2 273.336 1.681 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCCC[C@@H]2C2OCCO2)n1 ZINC000876680294 771859232 /nfs/dbraw/zinc/85/92/32/771859232.db2.gz ZDRYXCWRCHKEJN-CQSZACIVSA-N 1 2 273.336 1.681 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001032684314 771863481 /nfs/dbraw/zinc/86/34/81/771863481.db2.gz KYGWRJKEOJDLID-KCXAZCMYSA-N 1 2 296.370 1.542 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001032684314 771863482 /nfs/dbraw/zinc/86/34/82/771863482.db2.gz KYGWRJKEOJDLID-KCXAZCMYSA-N 1 2 296.370 1.542 20 30 CDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000886480357 771871014 /nfs/dbraw/zinc/87/10/14/771871014.db2.gz RZHLMUUZPJZNDQ-RBSFLKMASA-N 1 2 288.347 1.618 20 30 CDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000886480357 771871016 /nfs/dbraw/zinc/87/10/16/771871016.db2.gz RZHLMUUZPJZNDQ-RBSFLKMASA-N 1 2 288.347 1.618 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)(F)F ZINC001017959536 771871406 /nfs/dbraw/zinc/87/14/06/771871406.db2.gz SGXFUXOZRKNAPR-UPJWGTAASA-N 1 2 284.350 1.976 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)(F)F ZINC001017959536 771871408 /nfs/dbraw/zinc/87/14/08/771871408.db2.gz SGXFUXOZRKNAPR-UPJWGTAASA-N 1 2 284.350 1.976 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cn2cnc3ccc(C)cc32)C1 ZINC001030836830 771881695 /nfs/dbraw/zinc/88/16/95/771881695.db2.gz ZEXVHIIXWDOETN-UHFFFAOYSA-N 1 2 298.390 1.721 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCCO1 ZINC001017373437 771883824 /nfs/dbraw/zinc/88/38/24/771883824.db2.gz SPSFNVQZAVNAGU-QLFBSQMISA-N 1 2 276.380 1.254 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCCO1 ZINC001017373437 771883826 /nfs/dbraw/zinc/88/38/26/771883826.db2.gz SPSFNVQZAVNAGU-QLFBSQMISA-N 1 2 276.380 1.254 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000260414404 771884419 /nfs/dbraw/zinc/88/44/19/771884419.db2.gz HIXZBWKQHPAMSL-NSHDSACASA-N 1 2 253.346 1.841 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000260414404 771884421 /nfs/dbraw/zinc/88/44/21/771884421.db2.gz HIXZBWKQHPAMSL-NSHDSACASA-N 1 2 253.346 1.841 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1N(C)C ZINC001039074987 771894159 /nfs/dbraw/zinc/89/41/59/771894159.db2.gz QVBMMKKLDKKWOG-CYBMUJFWSA-N 1 2 271.364 1.190 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1N(C)C ZINC001039074987 771894161 /nfs/dbraw/zinc/89/41/61/771894161.db2.gz QVBMMKKLDKKWOG-CYBMUJFWSA-N 1 2 271.364 1.190 20 30 CDEDLO C=CC[N@H+](CN1C(=O)C[C@@](C)(C(C)C)C1=O)[C@H](C)COC ZINC000853535284 771949337 /nfs/dbraw/zinc/94/93/37/771949337.db2.gz SGLPEWXNXVDTFO-CJNGLKHVSA-N 1 2 296.411 1.888 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)C[C@@](C)(C(C)C)C1=O)[C@H](C)COC ZINC000853535284 771949354 /nfs/dbraw/zinc/94/93/54/771949354.db2.gz SGLPEWXNXVDTFO-CJNGLKHVSA-N 1 2 296.411 1.888 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncccc1C ZINC001038158647 771955632 /nfs/dbraw/zinc/95/56/32/771955632.db2.gz SEUNVVYPMJARTQ-ZDUSSCGKSA-N 1 2 257.337 1.217 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ncccc1C ZINC001038158647 771955642 /nfs/dbraw/zinc/95/56/42/771955642.db2.gz SEUNVVYPMJARTQ-ZDUSSCGKSA-N 1 2 257.337 1.217 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnn(C(C)C)c2C)C1 ZINC001031232547 771991382 /nfs/dbraw/zinc/99/13/82/771991382.db2.gz COTZOJKTAXTCMM-UHFFFAOYSA-N 1 2 274.368 1.210 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCN(c3ccccc3)C2)C1 ZINC001043047935 771995305 /nfs/dbraw/zinc/99/53/05/771995305.db2.gz CRIZIANDIHHMBH-HNNXBMFYSA-N 1 2 299.418 1.842 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782616882 772003553 /nfs/dbraw/zinc/00/35/53/772003553.db2.gz JWLURUARZBDRDZ-KFNAQCHYSA-N 1 2 285.347 1.199 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782616882 772003558 /nfs/dbraw/zinc/00/35/58/772003558.db2.gz JWLURUARZBDRDZ-KFNAQCHYSA-N 1 2 285.347 1.199 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2ocnc2C(F)(F)F)C1 ZINC001030740377 772012193 /nfs/dbraw/zinc/01/21/93/772012193.db2.gz HKXSQSAZGRSTKP-UHFFFAOYSA-N 1 2 289.257 1.684 20 30 CDEDLO C#CC[C@H](CCOC)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000858547333 772014488 /nfs/dbraw/zinc/01/44/88/772014488.db2.gz KBLNODHNLQGOQI-OAHLLOKOSA-N 1 2 289.379 1.926 20 30 CDEDLO C=CCCn1cc(C[NH+]2CCC(C3OCCO3)CC2)nn1 ZINC000846795032 772035813 /nfs/dbraw/zinc/03/58/13/772035813.db2.gz GFCRMYTYWZWGOZ-UHFFFAOYSA-N 1 2 292.383 1.439 20 30 CDEDLO CC[C@H](CC#N)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897400009 772048024 /nfs/dbraw/zinc/04/80/24/772048024.db2.gz FIYUVMRQTKBNPN-MFKMUULPSA-N 1 2 275.356 1.598 20 30 CDEDLO CC[C@H](CC#N)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000897400009 772048030 /nfs/dbraw/zinc/04/80/30/772048030.db2.gz FIYUVMRQTKBNPN-MFKMUULPSA-N 1 2 275.356 1.598 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(C(C)C)c2)C1 ZINC001035577296 772056352 /nfs/dbraw/zinc/05/63/52/772056352.db2.gz NWLXTJBMCPOBHP-AWEZNQCLSA-N 1 2 292.383 1.081 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cnn(C(C)C)c2)C1 ZINC001035577296 772056360 /nfs/dbraw/zinc/05/63/60/772056360.db2.gz NWLXTJBMCPOBHP-AWEZNQCLSA-N 1 2 292.383 1.081 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(SC)CCC1 ZINC000790076175 772058097 /nfs/dbraw/zinc/05/80/97/772058097.db2.gz CPVGNRSLVYKLTC-LBPRGKRZSA-N 1 2 266.410 1.486 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(SC)CCC1 ZINC000790076175 772058103 /nfs/dbraw/zinc/05/81/03/772058103.db2.gz CPVGNRSLVYKLTC-LBPRGKRZSA-N 1 2 266.410 1.486 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(F)c(F)c1F ZINC001038645826 772063740 /nfs/dbraw/zinc/06/37/40/772063740.db2.gz WSYPNNWZRPSQGR-JTQLQIEISA-N 1 2 296.292 1.931 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(F)c(F)c1F ZINC001038645826 772063746 /nfs/dbraw/zinc/06/37/46/772063746.db2.gz WSYPNNWZRPSQGR-JTQLQIEISA-N 1 2 296.292 1.931 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2nccc3occc32)C1 ZINC001030717699 772095402 /nfs/dbraw/zinc/09/54/02/772095402.db2.gz WTPZCBQKELLHSN-UHFFFAOYSA-N 1 2 271.320 1.818 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1C ZINC001017462078 772097297 /nfs/dbraw/zinc/09/72/97/772097297.db2.gz RHABGCWVCSWLNK-BETUJISGSA-N 1 2 257.337 1.245 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1C ZINC001017462078 772097306 /nfs/dbraw/zinc/09/73/06/772097306.db2.gz RHABGCWVCSWLNK-BETUJISGSA-N 1 2 257.337 1.245 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC001038649462 772098076 /nfs/dbraw/zinc/09/80/76/772098076.db2.gz HJCAUFKSAOFLHL-HIFRSBDPSA-N 1 2 254.333 1.150 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC001038649462 772098083 /nfs/dbraw/zinc/09/80/83/772098083.db2.gz HJCAUFKSAOFLHL-HIFRSBDPSA-N 1 2 254.333 1.150 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2Cc3cccnc3C2)C1 ZINC001031312683 772125980 /nfs/dbraw/zinc/12/59/80/772125980.db2.gz PPWQZNDDAXXWSB-CYBMUJFWSA-N 1 2 271.364 1.173 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H](C)n2cccc2)C1 ZINC001042621260 772178987 /nfs/dbraw/zinc/17/89/87/772178987.db2.gz BGNDRRJOJDWFIL-CYBMUJFWSA-N 1 2 259.353 1.215 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccn(CC)c2C)C1 ZINC001035481093 772235111 /nfs/dbraw/zinc/23/51/11/772235111.db2.gz DQPAQTRGHVLRET-CQSZACIVSA-N 1 2 291.395 1.433 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccn(CC)c2C)C1 ZINC001035481093 772235120 /nfs/dbraw/zinc/23/51/20/772235120.db2.gz DQPAQTRGHVLRET-CQSZACIVSA-N 1 2 291.395 1.433 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2scc3c2OCCO3)C1 ZINC001031194964 772255343 /nfs/dbraw/zinc/25/53/43/772255343.db2.gz MFTJAOBHWMQJIU-UHFFFAOYSA-N 1 2 294.376 1.509 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1c[nH]cc1C ZINC001051247225 772290448 /nfs/dbraw/zinc/29/04/48/772290448.db2.gz ZBYKWRXAGYMNRK-CYBMUJFWSA-N 1 2 277.368 1.330 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1c[nH]cc1C ZINC001051247225 772290462 /nfs/dbraw/zinc/29/04/62/772290462.db2.gz ZBYKWRXAGYMNRK-CYBMUJFWSA-N 1 2 277.368 1.330 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCCCO2)C1 ZINC001010532598 772334523 /nfs/dbraw/zinc/33/45/23/772334523.db2.gz XCYIMMDBUHARER-CHWSQXEVSA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCCCO2)C1 ZINC001010532598 772334530 /nfs/dbraw/zinc/33/45/30/772334530.db2.gz XCYIMMDBUHARER-CHWSQXEVSA-N 1 2 286.803 1.889 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C3CCC3)C2)C1 ZINC000972430171 772340877 /nfs/dbraw/zinc/34/08/77/772340877.db2.gz BIJWHDUJBRDYDC-PBHICJAKSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C3CCC3)C2)C1 ZINC000972430171 772340885 /nfs/dbraw/zinc/34/08/85/772340885.db2.gz BIJWHDUJBRDYDC-PBHICJAKSA-N 1 2 290.407 1.359 20 30 CDEDLO C=CC(C)(C)CC(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913475974 772340940 /nfs/dbraw/zinc/34/09/40/772340940.db2.gz ZGYXFKHHGUEUCB-ZDUSSCGKSA-N 1 2 276.384 1.495 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2onc3c2CCCC3)C1 ZINC001030676868 772349971 /nfs/dbraw/zinc/34/99/71/772349971.db2.gz AMPMYDHQIXQSKI-UHFFFAOYSA-N 1 2 275.352 1.544 20 30 CDEDLO C=CCC1(O)CC[NH+]([C@@H](C)c2nncn2C)CC1 ZINC000886778798 772380770 /nfs/dbraw/zinc/38/07/70/772380770.db2.gz UTZOKLBVCVQVPZ-NSHDSACASA-N 1 2 250.346 1.279 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn(C)nc2C)C1 ZINC001032950739 772381609 /nfs/dbraw/zinc/38/16/09/772381609.db2.gz LNDBCSPGFNHGQV-GFCCVEGCSA-N 1 2 296.802 1.627 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(C)nc2C)C1 ZINC001032950739 772381615 /nfs/dbraw/zinc/38/16/15/772381615.db2.gz LNDBCSPGFNHGQV-GFCCVEGCSA-N 1 2 296.802 1.627 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc(OC)cs1 ZINC001038589631 772389495 /nfs/dbraw/zinc/38/94/95/772389495.db2.gz OMKCPGUPVUSMGW-JTQLQIEISA-N 1 2 266.366 1.747 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(OC)cs1 ZINC001038589631 772389496 /nfs/dbraw/zinc/38/94/96/772389496.db2.gz OMKCPGUPVUSMGW-JTQLQIEISA-N 1 2 266.366 1.747 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cn(CC)nc2C)C1 ZINC001043983840 772399809 /nfs/dbraw/zinc/39/98/09/772399809.db2.gz VAWYUCYVFCNJHH-UHFFFAOYSA-N 1 2 276.384 1.544 20 30 CDEDLO C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001042981352 772405383 /nfs/dbraw/zinc/40/53/83/772405383.db2.gz ZZHWDXGMTJCBCK-ZIAGYGMSSA-N 1 2 288.395 1.622 20 30 CDEDLO CN1CC[N@H+](CCCOc2ccc(C#N)cc2)CC1=O ZINC000084203653 772412077 /nfs/dbraw/zinc/41/20/77/772412077.db2.gz SISLALKKHWOSDI-UHFFFAOYSA-N 1 2 273.336 1.101 20 30 CDEDLO CN1CC[N@@H+](CCCOc2ccc(C#N)cc2)CC1=O ZINC000084203653 772412082 /nfs/dbraw/zinc/41/20/82/772412082.db2.gz SISLALKKHWOSDI-UHFFFAOYSA-N 1 2 273.336 1.101 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001032804688 772414873 /nfs/dbraw/zinc/41/48/73/772414873.db2.gz QESOKYJQEHNHOW-RYUDHWBXSA-N 1 2 297.314 1.065 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001032804688 772414878 /nfs/dbraw/zinc/41/48/78/772414878.db2.gz QESOKYJQEHNHOW-RYUDHWBXSA-N 1 2 297.314 1.065 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccco1 ZINC001018087605 772417719 /nfs/dbraw/zinc/41/77/19/772417719.db2.gz ZVBFBBHPGFTCGL-BETUJISGSA-N 1 2 258.321 1.131 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccco1 ZINC001018087605 772417721 /nfs/dbraw/zinc/41/77/21/772417721.db2.gz ZVBFBBHPGFTCGL-BETUJISGSA-N 1 2 258.321 1.131 20 30 CDEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCn3cncc3C2)cc1 ZINC000852061650 772427803 /nfs/dbraw/zinc/42/78/03/772427803.db2.gz XDENHAQLIOSVGG-OAHLLOKOSA-N 1 2 268.320 1.304 20 30 CDEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCn3cncc3C2)cc1 ZINC000852061650 772427805 /nfs/dbraw/zinc/42/78/05/772427805.db2.gz XDENHAQLIOSVGG-OAHLLOKOSA-N 1 2 268.320 1.304 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cccnn2)C1 ZINC001046719748 772435797 /nfs/dbraw/zinc/43/57/97/772435797.db2.gz PARRVAMUBIXRJG-CYBMUJFWSA-N 1 2 280.759 1.423 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cccnn2)C1 ZINC001046719748 772435802 /nfs/dbraw/zinc/43/58/02/772435802.db2.gz PARRVAMUBIXRJG-CYBMUJFWSA-N 1 2 280.759 1.423 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1sc(C)cc1OC ZINC001038771032 772455900 /nfs/dbraw/zinc/45/59/00/772455900.db2.gz YPOSXLIQSXUCRJ-GFCCVEGCSA-N 1 2 292.404 1.893 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1sc(C)cc1OC ZINC001038771032 772455903 /nfs/dbraw/zinc/45/59/03/772455903.db2.gz YPOSXLIQSXUCRJ-GFCCVEGCSA-N 1 2 292.404 1.893 20 30 CDEDLO C#CC[C@H]1CCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000887340778 772467794 /nfs/dbraw/zinc/46/77/94/772467794.db2.gz LBUDGDZHYSQCJU-ZDUSSCGKSA-N 1 2 260.341 1.328 20 30 CDEDLO C=CCC1(O)CC[NH+](Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000884479532 772469691 /nfs/dbraw/zinc/46/96/91/772469691.db2.gz KLEUDTNGSSQRMB-UHFFFAOYSA-N 1 2 280.328 1.460 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867233603 772476599 /nfs/dbraw/zinc/47/65/99/772476599.db2.gz VWEMIEIIQUCGBW-OWNNVSBGSA-N 1 2 266.385 1.736 20 30 CDEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC000846835269 772558976 /nfs/dbraw/zinc/55/89/76/772558976.db2.gz INLQYYZZKNJEHC-MRXNPFEDSA-N 1 2 299.378 1.889 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NCC(F)(F)CO ZINC000853481214 772593423 /nfs/dbraw/zinc/59/34/23/772593423.db2.gz MQJJBTGHWKQXDK-UHFFFAOYSA-N 1 2 270.279 1.913 20 30 CDEDLO C#CCC1(NC(=O)NCCCn2cc[nH+]c2)CCOCC1 ZINC000887345835 772607794 /nfs/dbraw/zinc/60/77/94/772607794.db2.gz FKYXRWUEDBHVCU-UHFFFAOYSA-N 1 2 290.367 1.145 20 30 CDEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)nc1 ZINC000788002826 772640334 /nfs/dbraw/zinc/64/03/34/772640334.db2.gz DJOSPWJCOQITNC-GFCCVEGCSA-N 1 2 281.319 1.029 20 30 CDEDLO Cc1ccc(NCC[N@@H+]2CCOCC2(C)C)c(C#N)n1 ZINC000881915292 772642203 /nfs/dbraw/zinc/64/22/03/772642203.db2.gz JZXJIXSDGLNREE-UHFFFAOYSA-N 1 2 274.368 1.784 20 30 CDEDLO Cc1ccc(NCC[N@H+]2CCOCC2(C)C)c(C#N)n1 ZINC000881915292 772642209 /nfs/dbraw/zinc/64/22/09/772642209.db2.gz JZXJIXSDGLNREE-UHFFFAOYSA-N 1 2 274.368 1.784 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(C2CC2)n1 ZINC001018016086 772661611 /nfs/dbraw/zinc/66/16/11/772661611.db2.gz CIQRMTRNLXFNIL-OKILXGFUSA-N 1 2 298.390 1.829 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(C2CC2)n1 ZINC001018016086 772661620 /nfs/dbraw/zinc/66/16/20/772661620.db2.gz CIQRMTRNLXFNIL-OKILXGFUSA-N 1 2 298.390 1.829 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CCOC2(C[NH+](CCC)C2)C1 ZINC001053371092 772690858 /nfs/dbraw/zinc/69/08/58/772690858.db2.gz VZGQEIRYJOCXFG-UHFFFAOYSA-N 1 2 280.412 1.912 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2COc3ccccc32)C1 ZINC001031478644 772731811 /nfs/dbraw/zinc/73/18/11/772731811.db2.gz SPRYKOCKDYLKOA-CQSZACIVSA-N 1 2 272.348 1.539 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NCCNC(=O)C1CC1 ZINC000820645007 772756017 /nfs/dbraw/zinc/75/60/17/772756017.db2.gz MZBRBTMCPGUUPL-UHFFFAOYSA-N 1 2 287.363 1.812 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001030752999 772763746 /nfs/dbraw/zinc/76/37/46/772763746.db2.gz CIGIQSACXVAUFE-UHFFFAOYSA-N 1 2 296.374 1.862 20 30 CDEDLO C#CCOCCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000123488353 772768129 /nfs/dbraw/zinc/76/81/29/772768129.db2.gz OYKHCKFBRBRZID-UHFFFAOYSA-N 1 2 283.331 1.528 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC(F)(F)C1 ZINC001017671537 772770921 /nfs/dbraw/zinc/77/09/21/772770921.db2.gz UOSAMJMUHLODPQ-BETUJISGSA-N 1 2 282.334 1.730 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC(F)(F)C1 ZINC001017671537 772770924 /nfs/dbraw/zinc/77/09/24/772770924.db2.gz UOSAMJMUHLODPQ-BETUJISGSA-N 1 2 282.334 1.730 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001033019737 772773928 /nfs/dbraw/zinc/77/39/28/772773928.db2.gz KHDXYZRAAZGLNP-CYBMUJFWSA-N 1 2 292.770 1.785 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001033019737 772773931 /nfs/dbraw/zinc/77/39/31/772773931.db2.gz KHDXYZRAAZGLNP-CYBMUJFWSA-N 1 2 292.770 1.785 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C(C)=C1CCC1)CCO2 ZINC001053251033 772813955 /nfs/dbraw/zinc/81/39/55/772813955.db2.gz WFFFALDFSBPGOW-UHFFFAOYSA-N 1 2 290.407 1.976 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001030772138 772819957 /nfs/dbraw/zinc/81/99/57/772819957.db2.gz DLKPDVPDLFSEEL-UHFFFAOYSA-N 1 2 281.359 1.914 20 30 CDEDLO C[C@@H]1C[C@H]([NH2+]Cc2csnn2)CN1C(=O)C#CC1CC1 ZINC000988826993 772831751 /nfs/dbraw/zinc/83/17/51/772831751.db2.gz QLILLUVCXOJNTB-PWSUYJOCSA-N 1 2 290.392 1.031 20 30 CDEDLO C=C[C@@](C)(O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000834559170 772842275 /nfs/dbraw/zinc/84/22/75/772842275.db2.gz BLQWNOXWGVVIMS-SMDDNHRTSA-N 1 2 263.341 1.063 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001038536434 772848702 /nfs/dbraw/zinc/84/87/02/772848702.db2.gz OZBSRWVVQDNJCZ-LJISPDSOSA-N 1 2 276.380 1.015 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001038536434 772848703 /nfs/dbraw/zinc/84/87/03/772848703.db2.gz OZBSRWVVQDNJCZ-LJISPDSOSA-N 1 2 276.380 1.015 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)n2cccn2)C1 ZINC001032932853 772865313 /nfs/dbraw/zinc/86/53/13/772865313.db2.gz UVTFRTMPWAHCQC-CHWSQXEVSA-N 1 2 296.802 1.729 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)n2cccn2)C1 ZINC001032932853 772865314 /nfs/dbraw/zinc/86/53/14/772865314.db2.gz UVTFRTMPWAHCQC-CHWSQXEVSA-N 1 2 296.802 1.729 20 30 CDEDLO N#Cc1ccc(CNC(=O)C[NH+]2CCC(F)(F)CC2)cc1 ZINC000796548122 772866391 /nfs/dbraw/zinc/86/63/91/772866391.db2.gz AOJDYFUTFOZVSJ-UHFFFAOYSA-N 1 2 293.317 1.906 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1OCC[C@H]1CC ZINC001050963553 772867097 /nfs/dbraw/zinc/86/70/97/772867097.db2.gz CKGXWBJJUNYICO-ILXRZTDVSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1OCC[C@H]1CC ZINC001050963553 772867099 /nfs/dbraw/zinc/86/70/99/772867099.db2.gz CKGXWBJJUNYICO-ILXRZTDVSA-N 1 2 296.411 1.195 20 30 CDEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)C(F)F ZINC001009809386 772881960 /nfs/dbraw/zinc/88/19/60/772881960.db2.gz NYMNJZLBAKQJKT-ZDUSSCGKSA-N 1 2 278.302 1.494 20 30 CDEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)C(F)F ZINC001009809386 772881963 /nfs/dbraw/zinc/88/19/63/772881963.db2.gz NYMNJZLBAKQJKT-ZDUSSCGKSA-N 1 2 278.302 1.494 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1nccc2cccnc21 ZINC001038358595 772889443 /nfs/dbraw/zinc/88/94/43/772889443.db2.gz ZGBYBZDEJNAANT-CYBMUJFWSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nccc2cccnc21 ZINC001038358595 772889444 /nfs/dbraw/zinc/88/94/44/772889444.db2.gz ZGBYBZDEJNAANT-CYBMUJFWSA-N 1 2 280.331 1.067 20 30 CDEDLO CCn1ncnc1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000793347598 772892967 /nfs/dbraw/zinc/89/29/67/772892967.db2.gz YVCLNCCGMXNNSL-LBPRGKRZSA-N 1 2 285.351 1.879 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(F)s2)C1 ZINC001016390521 772930016 /nfs/dbraw/zinc/93/00/16/772930016.db2.gz ZEBABRQCYTYWTI-JTQLQIEISA-N 1 2 266.341 1.715 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(F)s2)C1 ZINC001016390521 772930026 /nfs/dbraw/zinc/93/00/26/772930026.db2.gz ZEBABRQCYTYWTI-JTQLQIEISA-N 1 2 266.341 1.715 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2c1cccc2F ZINC000884312752 772936852 /nfs/dbraw/zinc/93/68/52/772936852.db2.gz MVOBCOUJQXDMHJ-LBPRGKRZSA-N 1 2 292.310 1.161 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2n[nH]c3ccccc32)CC1 ZINC001052910929 772943007 /nfs/dbraw/zinc/94/30/07/772943007.db2.gz XDMNRVIYLMNZDY-ZDUSSCGKSA-N 1 2 296.374 1.780 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2n[nH]c3ccccc32)CC1 ZINC001052910929 772943011 /nfs/dbraw/zinc/94/30/11/772943011.db2.gz XDMNRVIYLMNZDY-ZDUSSCGKSA-N 1 2 296.374 1.780 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nc[nH]n1 ZINC001049797306 772985636 /nfs/dbraw/zinc/98/56/36/772985636.db2.gz HHHYKLWSDGBLHC-WDEREUQCSA-N 1 2 295.774 1.236 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nc[nH]n1 ZINC001049797306 772985643 /nfs/dbraw/zinc/98/56/43/772985643.db2.gz HHHYKLWSDGBLHC-WDEREUQCSA-N 1 2 295.774 1.236 20 30 CDEDLO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]cc3ncnc2-3)C1 ZINC001014488162 772987882 /nfs/dbraw/zinc/98/78/82/772987882.db2.gz BIVBRZACEGWQLL-GFCCVEGCSA-N 1 2 299.378 1.728 20 30 CDEDLO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2c[nH]cc3ncnc2-3)C1 ZINC001014488162 772987893 /nfs/dbraw/zinc/98/78/93/772987893.db2.gz BIVBRZACEGWQLL-GFCCVEGCSA-N 1 2 299.378 1.728 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2CNC(C)=O)c1 ZINC001027711025 773010488 /nfs/dbraw/zinc/01/04/88/773010488.db2.gz FDFJPLYIMOBGPR-MRXNPFEDSA-N 1 2 299.374 1.207 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2CNC(C)=O)c1 ZINC001027711025 773010491 /nfs/dbraw/zinc/01/04/91/773010491.db2.gz FDFJPLYIMOBGPR-MRXNPFEDSA-N 1 2 299.374 1.207 20 30 CDEDLO CN(C)c1ncc(C=[NH+]NCC(F)(F)C(F)(F)F)n1C ZINC000863183177 773029279 /nfs/dbraw/zinc/02/92/79/773029279.db2.gz OEVJXVOGTRVVPQ-UHFFFAOYSA-N 1 2 299.247 1.607 20 30 CDEDLO Cc1[nH+]c(C(C)N=Nc2nc(C)cc(C)n2)cn1C ZINC000800804391 773033090 /nfs/dbraw/zinc/03/30/90/773033090.db2.gz ZPNJYYPDFCTJDZ-UHFFFAOYSA-N 1 2 258.329 1.971 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2scnc2COC)C1 ZINC001015812712 773033518 /nfs/dbraw/zinc/03/35/18/773033518.db2.gz APDALFGLMQRFJQ-LLVKDONJSA-N 1 2 293.392 1.117 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2scnc2COC)C1 ZINC001015812712 773033520 /nfs/dbraw/zinc/03/35/20/773033520.db2.gz APDALFGLMQRFJQ-LLVKDONJSA-N 1 2 293.392 1.117 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001031464198 773054023 /nfs/dbraw/zinc/05/40/23/773054023.db2.gz JGONJHAHXCHANZ-GOSISDBHSA-N 1 2 282.387 1.714 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ncn[nH]2)CC1 ZINC001052801417 773066374 /nfs/dbraw/zinc/06/63/74/773066374.db2.gz TYUMRECOYRPOMK-JTQLQIEISA-N 1 2 283.763 1.142 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2nnc[nH]2)CC1 ZINC001052801417 773066364 /nfs/dbraw/zinc/06/63/64/773066364.db2.gz TYUMRECOYRPOMK-JTQLQIEISA-N 1 2 283.763 1.142 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2nnc[nH]2)CC1 ZINC001052801417 773066369 /nfs/dbraw/zinc/06/63/69/773066369.db2.gz TYUMRECOYRPOMK-JTQLQIEISA-N 1 2 283.763 1.142 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ncn[nH]2)CC1 ZINC001052801417 773066378 /nfs/dbraw/zinc/06/63/78/773066378.db2.gz TYUMRECOYRPOMK-JTQLQIEISA-N 1 2 283.763 1.142 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C(C)C)[nH]c2=O)C1 ZINC001031056990 773074110 /nfs/dbraw/zinc/07/41/10/773074110.db2.gz YSWPZPHTFDMDRW-UHFFFAOYSA-N 1 2 287.363 1.348 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](Cc1ccccc1)OC ZINC001032792791 773095613 /nfs/dbraw/zinc/09/56/13/773095613.db2.gz MHHGUTLNNHNAND-ULQDDVLXSA-N 1 2 298.386 1.162 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](Cc1ccccc1)OC ZINC001032792791 773095618 /nfs/dbraw/zinc/09/56/18/773095618.db2.gz MHHGUTLNNHNAND-ULQDDVLXSA-N 1 2 298.386 1.162 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001008199961 773107851 /nfs/dbraw/zinc/10/78/51/773107851.db2.gz AGVHBVHXYMXOQK-YUSALJHKSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001008199961 773107858 /nfs/dbraw/zinc/10/78/58/773107858.db2.gz AGVHBVHXYMXOQK-YUSALJHKSA-N 1 2 256.777 1.976 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)C2(C3CC3)CCOCC2)C1 ZINC001043474758 773154812 /nfs/dbraw/zinc/15/48/12/773154812.db2.gz UKSFJOUYDHWRSA-UHFFFAOYSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2snnc2C)CC[C@H]1C ZINC001071347963 773199133 /nfs/dbraw/zinc/19/91/33/773199133.db2.gz TXLRSNWECIZBOT-KOLCDFICSA-N 1 2 278.381 1.062 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2snnc2C)CC[C@H]1C ZINC001071347963 773199161 /nfs/dbraw/zinc/19/91/61/773199161.db2.gz TXLRSNWECIZBOT-KOLCDFICSA-N 1 2 278.381 1.062 20 30 CDEDLO CC[C@H]1C[N@H+](Cn2cccc(C#N)c2=O)CCCO1 ZINC000799161767 773269233 /nfs/dbraw/zinc/26/92/33/773269233.db2.gz DEKXSGGRWODEAV-ZDUSSCGKSA-N 1 2 261.325 1.178 20 30 CDEDLO CC[C@H]1C[N@@H+](Cn2cccc(C#N)c2=O)CCCO1 ZINC000799161767 773269244 /nfs/dbraw/zinc/26/92/44/773269244.db2.gz DEKXSGGRWODEAV-ZDUSSCGKSA-N 1 2 261.325 1.178 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001010499666 773311237 /nfs/dbraw/zinc/31/12/37/773311237.db2.gz UMZLPVJGNLEEPP-LLVKDONJSA-N 1 2 281.743 1.344 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001010499666 773311245 /nfs/dbraw/zinc/31/12/45/773311245.db2.gz UMZLPVJGNLEEPP-LLVKDONJSA-N 1 2 281.743 1.344 20 30 CDEDLO C#CCOC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810538090 773389655 /nfs/dbraw/zinc/38/96/55/773389655.db2.gz URTRLZSNCSISIV-UHFFFAOYSA-N 1 2 254.289 1.650 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2nc(C)c[nH]2)C1 ZINC001033493642 773432967 /nfs/dbraw/zinc/43/29/67/773432967.db2.gz XYFGKXSVEFVAGB-NSHDSACASA-N 1 2 282.775 1.617 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2nc(C)c[nH]2)C1 ZINC001033493642 773432989 /nfs/dbraw/zinc/43/29/89/773432989.db2.gz XYFGKXSVEFVAGB-NSHDSACASA-N 1 2 282.775 1.617 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC001043498975 773442660 /nfs/dbraw/zinc/44/26/60/773442660.db2.gz YOBMEXHFGISLCP-UHFFFAOYSA-N 1 2 289.379 1.736 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(C)c1 ZINC001032332670 773470666 /nfs/dbraw/zinc/47/06/66/773470666.db2.gz 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ZINC001032299574 773549381 /nfs/dbraw/zinc/54/93/81/773549381.db2.gz IYBQEMVYZQAJJS-KCXAZCMYSA-N 1 2 299.374 1.378 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1cnc(Cl)cn1)[C@@H]1CCCO1 ZINC000799167122 773604294 /nfs/dbraw/zinc/60/42/94/773604294.db2.gz UGZOYQBKBNQFLC-MNOVXSKESA-N 1 2 251.717 1.400 20 30 CDEDLO Cc1cc(NCCNC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC000862860558 773633058 /nfs/dbraw/zinc/63/30/58/773633058.db2.gz FWOGCAONRXJNRN-UHFFFAOYSA-N 1 2 286.379 1.850 20 30 CDEDLO CCCN1CC[N@H+](CCO[C@@H](C)C#N)C(C)(C)C1=O ZINC000801944056 773685527 /nfs/dbraw/zinc/68/55/27/773685527.db2.gz DBIOJBVUNAPHMV-LBPRGKRZSA-N 1 2 267.373 1.248 20 30 CDEDLO CCCN1CC[N@@H+](CCO[C@@H](C)C#N)C(C)(C)C1=O ZINC000801944056 773685528 /nfs/dbraw/zinc/68/55/28/773685528.db2.gz DBIOJBVUNAPHMV-LBPRGKRZSA-N 1 2 267.373 1.248 20 30 CDEDLO N#CC1(NC(=O)/C=C\C[NH+]2CCOCC2)CCCCC1 ZINC000865077675 773696704 /nfs/dbraw/zinc/69/67/04/773696704.db2.gz LKZXUHUFLAPGOV-PLNGDYQASA-N 1 2 277.368 1.217 20 30 CDEDLO 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CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)/C=C\C(C)(C)C)C1 ZINC001107821654 918832226 /nfs/dbraw/zinc/83/22/26/918832226.db2.gz SPXGMGHVISXAGQ-JJEJIETFSA-N 1 2 292.423 1.819 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnccc2C)C1 ZINC001107838100 918853258 /nfs/dbraw/zinc/85/32/58/918853258.db2.gz UKIVZGREYSBLJM-INIZCTEOSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cnccc2C)C1 ZINC001107838100 918853268 /nfs/dbraw/zinc/85/32/68/918853268.db2.gz UKIVZGREYSBLJM-INIZCTEOSA-N 1 2 289.379 1.397 20 30 CDEDLO CCCC#CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001184274349 918979890 /nfs/dbraw/zinc/97/98/90/918979890.db2.gz NQELIXZKHRHSCZ-CYBMUJFWSA-N 1 2 257.337 1.580 20 30 CDEDLO Cc1ccc(C#N)c(NC[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001107900283 919024397 /nfs/dbraw/zinc/02/43/97/919024397.db2.gz IPGKRZNRZPMWBT-LLVKDONJSA-N 1 2 298.350 1.144 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCOCC2)C1 ZINC001107907242 919037069 /nfs/dbraw/zinc/03/70/69/919037069.db2.gz PYMGSNQUMTYQMQ-GOEBONIOSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCOCC2)C1 ZINC001107907242 919037081 /nfs/dbraw/zinc/03/70/81/919037081.db2.gz PYMGSNQUMTYQMQ-GOEBONIOSA-N 1 2 296.411 1.196 20 30 CDEDLO Cn1cnc(Nc2ccc[nH+]c2N2CCOCC2)c1C#N ZINC001212354071 919247475 /nfs/dbraw/zinc/24/74/75/919247475.db2.gz ADRBULCKOMSYDD-UHFFFAOYSA-N 1 2 284.323 1.267 20 30 CDEDLO C[NH+]1CCN(C(=O)c2cc(Cl)c(C#N)c(Cl)n2)CC1 ZINC001184787880 919280569 /nfs/dbraw/zinc/28/05/69/919280569.db2.gz KGMFITCFYSVHMU-UHFFFAOYSA-N 1 2 299.161 1.648 20 30 CDEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cncc(F)c2)C1=O ZINC001272795684 919308516 /nfs/dbraw/zinc/30/85/16/919308516.db2.gz QQKPUHNEARJIJE-INIZCTEOSA-N 1 2 287.338 1.421 20 30 CDEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cncc(F)c2)C1=O ZINC001272795684 919308530 /nfs/dbraw/zinc/30/85/30/919308530.db2.gz QQKPUHNEARJIJE-INIZCTEOSA-N 1 2 287.338 1.421 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOCC)C2 ZINC001110372820 919803330 /nfs/dbraw/zinc/80/33/30/919803330.db2.gz YMGXBRQXVGACJR-UPJWGTAASA-N 1 2 286.803 1.887 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOCC)C2 ZINC001110372820 919803345 /nfs/dbraw/zinc/80/33/45/919803345.db2.gz YMGXBRQXVGACJR-UPJWGTAASA-N 1 2 286.803 1.887 20 30 CDEDLO COc1ncc(C[N@@H+]2CCC[C@H](CC#N)C2)c(OC)n1 ZINC001139233725 936610575 /nfs/dbraw/zinc/61/05/75/936610575.db2.gz XRBBZFDCOKTTHE-LLVKDONJSA-N 1 2 276.340 1.619 20 30 CDEDLO COc1ncc(C[N@H+]2CCC[C@H](CC#N)C2)c(OC)n1 ZINC001139233725 936610576 /nfs/dbraw/zinc/61/05/76/936610576.db2.gz XRBBZFDCOKTTHE-LLVKDONJSA-N 1 2 276.340 1.619 20 30 CDEDLO N#Cc1ccc(F)c(CN2CC([N@@H+]3CC[C@H](F)C3)C2)c1 ZINC001139651140 936634038 /nfs/dbraw/zinc/63/40/38/936634038.db2.gz FTDYWNRWKYETCY-ZDUSSCGKSA-N 1 2 277.318 1.925 20 30 CDEDLO N#Cc1ccc(F)c(CN2CC([N@H+]3CC[C@H](F)C3)C2)c1 ZINC001139651140 936634039 /nfs/dbraw/zinc/63/40/39/936634039.db2.gz FTDYWNRWKYETCY-ZDUSSCGKSA-N 1 2 277.318 1.925 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(C)CCOC1)C2 ZINC001098108594 936650490 /nfs/dbraw/zinc/65/04/90/936650490.db2.gz YHEYMEXEGKTFNI-CXTNEJHOSA-N 1 2 298.814 1.887 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(C)CCOC1)C2 ZINC001098108594 936650491 /nfs/dbraw/zinc/65/04/91/936650491.db2.gz YHEYMEXEGKTFNI-CXTNEJHOSA-N 1 2 298.814 1.887 20 30 CDEDLO C#CCCC[NH+]1CC2(C1)CN(CCCC)C(=O)CO2 ZINC001273537239 920429448 /nfs/dbraw/zinc/42/94/48/920429448.db2.gz DJXKCHMBACYHAX-UHFFFAOYSA-N 1 2 264.369 1.113 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnc3ccc(Cl)cn23)CC1 ZINC001140432157 936710345 /nfs/dbraw/zinc/71/03/45/936710345.db2.gz YTEOQVXCGJBJJE-UHFFFAOYSA-N 1 2 288.782 1.739 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C=C2CCC2)[C@@H](O)C1 ZINC001090183512 922466324 /nfs/dbraw/zinc/46/63/24/922466324.db2.gz WAOKTMOKDWPSJQ-OLZOCXBDSA-N 1 2 284.787 1.401 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C=C2CCC2)[C@@H](O)C1 ZINC001090183512 922466333 /nfs/dbraw/zinc/46/63/33/922466333.db2.gz WAOKTMOKDWPSJQ-OLZOCXBDSA-N 1 2 284.787 1.401 20 30 CDEDLO CC#CC[N@H+](C)[C@H]1CCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC001191650458 922693136 /nfs/dbraw/zinc/69/31/36/922693136.db2.gz LSRVIZYROPEZKD-ZDUSSCGKSA-N 1 2 296.374 1.733 20 30 CDEDLO CC#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC001191650458 922693145 /nfs/dbraw/zinc/69/31/45/922693145.db2.gz LSRVIZYROPEZKD-ZDUSSCGKSA-N 1 2 296.374 1.733 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(C)co2)C1 ZINC001108145611 922770078 /nfs/dbraw/zinc/77/00/78/922770078.db2.gz MYBHPULODUYRST-HNNXBMFYSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(C)co2)C1 ZINC001108145611 922770087 /nfs/dbraw/zinc/77/00/87/922770087.db2.gz MYBHPULODUYRST-HNNXBMFYSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc3occc3[nH]2)C1 ZINC001035386757 922982965 /nfs/dbraw/zinc/98/29/65/922982965.db2.gz QKJRIHYONGTMSR-NSHDSACASA-N 1 2 289.335 1.378 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc3occc3[nH]2)C1 ZINC001035386757 922982975 /nfs/dbraw/zinc/98/29/75/922982975.db2.gz QKJRIHYONGTMSR-NSHDSACASA-N 1 2 289.335 1.378 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)/C=C\C2CC2)[C@H](O)C1 ZINC001099766899 936807243 /nfs/dbraw/zinc/80/72/43/936807243.db2.gz RNWNWLGEPSLZQJ-OEFFGFFESA-N 1 2 284.787 1.257 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)/C=C\C2CC2)[C@H](O)C1 ZINC001099766899 936807245 /nfs/dbraw/zinc/80/72/45/936807245.db2.gz RNWNWLGEPSLZQJ-OEFFGFFESA-N 1 2 284.787 1.257 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(CC)CC2)[C@H](O)C1 ZINC001099988906 936829067 /nfs/dbraw/zinc/82/90/67/936829067.db2.gz MPSVNHSPUIXYQR-NWDGAFQWSA-N 1 2 286.803 1.481 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(CC)CC2)[C@H](O)C1 ZINC001099988906 936829069 /nfs/dbraw/zinc/82/90/69/936829069.db2.gz MPSVNHSPUIXYQR-NWDGAFQWSA-N 1 2 286.803 1.481 20 30 CDEDLO CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001079322997 924221037 /nfs/dbraw/zinc/22/10/37/924221037.db2.gz ISRMQBXVWNSKJQ-MEBBXXQBSA-N 1 2 275.327 1.654 20 30 CDEDLO CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001079322997 924221047 /nfs/dbraw/zinc/22/10/47/924221047.db2.gz ISRMQBXVWNSKJQ-MEBBXXQBSA-N 1 2 275.327 1.654 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)nn2)C1 ZINC001079678755 924400642 /nfs/dbraw/zinc/40/06/42/924400642.db2.gz BGSFYAGQMRLQDH-NOZJJQNGSA-N 1 2 294.786 1.588 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)nn2)C1 ZINC001079678755 924400647 /nfs/dbraw/zinc/40/06/47/924400647.db2.gz BGSFYAGQMRLQDH-NOZJJQNGSA-N 1 2 294.786 1.588 20 30 CDEDLO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2scnc2C(F)F)C1 ZINC001080109468 924486766 /nfs/dbraw/zinc/48/67/66/924486766.db2.gz RZLIMMJMJYWJFA-RKDXNWHRSA-N 1 2 299.346 1.764 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2scnc2C(F)F)C1 ZINC001080109468 924486770 /nfs/dbraw/zinc/48/67/70/924486770.db2.gz RZLIMMJMJYWJFA-RKDXNWHRSA-N 1 2 299.346 1.764 20 30 CDEDLO Cc1cc(C#N)cc(C(=O)N2CCc3[nH+]ccn3CC2)c1 ZINC001195420297 924606395 /nfs/dbraw/zinc/60/63/95/924606395.db2.gz LXJDSDZNTVEMRL-UHFFFAOYSA-N 1 2 280.331 1.762 20 30 CDEDLO C#CCCCCC(=O)N1CCC[N@@H+](CCF)CC1 ZINC001195556410 924641443 /nfs/dbraw/zinc/64/14/43/924641443.db2.gz ZHVYWFVFKUEBTR-UHFFFAOYSA-N 1 2 254.349 1.684 20 30 CDEDLO C#CCCCCC(=O)N1CCC[N@H+](CCF)CC1 ZINC001195556410 924641446 /nfs/dbraw/zinc/64/14/46/924641446.db2.gz ZHVYWFVFKUEBTR-UHFFFAOYSA-N 1 2 254.349 1.684 20 30 CDEDLO N#Cc1ccc(C(=O)NC2CC[NH+](CCF)CC2)c(O)c1 ZINC001195764558 924708628 /nfs/dbraw/zinc/70/86/28/924708628.db2.gz MCNWWEGQDVHUQR-UHFFFAOYSA-N 1 2 291.326 1.428 20 30 CDEDLO C#CC[NH+]1CCN(Cc2csc(C(F)(F)F)n2)CC1 ZINC001141883568 936952480 /nfs/dbraw/zinc/95/24/80/936952480.db2.gz PCRVOLHMUCFFJO-UHFFFAOYSA-N 1 2 289.326 1.913 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C3CC3)c2)[C@H](OC)C1 ZINC001082387873 924909273 /nfs/dbraw/zinc/90/92/73/924909273.db2.gz ZJEITNSYIQENFF-IAGOWNOFSA-N 1 2 298.386 1.626 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(C3CC3)c2)[C@H](OC)C1 ZINC001082387873 924909278 /nfs/dbraw/zinc/90/92/78/924909278.db2.gz ZJEITNSYIQENFF-IAGOWNOFSA-N 1 2 298.386 1.626 20 30 CDEDLO CSc1nc(C[N@@H+]2CC[C@H](NC(C)=O)C2)ccc1C#N ZINC001141943772 936956676 /nfs/dbraw/zinc/95/66/76/936956676.db2.gz KEMLQHZLMJJWPM-ZDUSSCGKSA-N 1 2 290.392 1.386 20 30 CDEDLO CSc1nc(C[N@H+]2CC[C@H](NC(C)=O)C2)ccc1C#N ZINC001141943772 936956678 /nfs/dbraw/zinc/95/66/78/936956678.db2.gz KEMLQHZLMJJWPM-ZDUSSCGKSA-N 1 2 290.392 1.386 20 30 CDEDLO C#CCCCC(=O)NCCN(CCC)c1cc[nH+]c(C)n1 ZINC001101131107 936959755 /nfs/dbraw/zinc/95/97/55/936959755.db2.gz NFOIAHUUFMUMBF-UHFFFAOYSA-N 1 2 288.395 1.921 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3ccccc3o2)[C@@H](O)C1 ZINC001084026291 925127843 /nfs/dbraw/zinc/12/78/43/925127843.db2.gz QVTNHKMWDZNBMU-KGLIPLIRSA-N 1 2 298.342 1.231 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3ccccc3o2)[C@@H](O)C1 ZINC001084026291 925127845 /nfs/dbraw/zinc/12/78/45/925127845.db2.gz QVTNHKMWDZNBMU-KGLIPLIRSA-N 1 2 298.342 1.231 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(C(C)C)s2)[C@@H](O)C1 ZINC001084101374 925140774 /nfs/dbraw/zinc/14/07/74/925140774.db2.gz KOZGFKDUYHNFFB-NEPJUHHUSA-N 1 2 294.420 1.832 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(C)C)s2)[C@@H](O)C1 ZINC001084101374 925140777 /nfs/dbraw/zinc/14/07/77/925140777.db2.gz KOZGFKDUYHNFFB-NEPJUHHUSA-N 1 2 294.420 1.832 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ncc(Cl)s3)[C@@H]2C1 ZINC001084515589 925274179 /nfs/dbraw/zinc/27/41/79/925274179.db2.gz LSRKNXPKEZZMTE-NXEZZACHSA-N 1 2 295.795 1.576 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ncc(Cl)s3)[C@@H]2C1 ZINC001084515589 925274185 /nfs/dbraw/zinc/27/41/85/925274185.db2.gz LSRKNXPKEZZMTE-NXEZZACHSA-N 1 2 295.795 1.576 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3scnc3Cl)[C@@H]2C1 ZINC001084835454 925450685 /nfs/dbraw/zinc/45/06/85/925450685.db2.gz BJNXRRBSFSGFNL-NXEZZACHSA-N 1 2 295.795 1.576 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3scnc3Cl)[C@@H]2C1 ZINC001084835454 925450688 /nfs/dbraw/zinc/45/06/88/925450688.db2.gz BJNXRRBSFSGFNL-NXEZZACHSA-N 1 2 295.795 1.576 20 30 CDEDLO COc1ccccc1[C@@H](CNC(=O)[C@@H](C)C#N)[NH2+]CCF ZINC001198616552 925478193 /nfs/dbraw/zinc/47/81/93/925478193.db2.gz ITAREBOEJKKYTB-WCQYABFASA-N 1 2 293.342 1.571 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ocnc1C ZINC001231171180 925668653 /nfs/dbraw/zinc/66/86/53/925668653.db2.gz YQRDXPUXJXHZNY-ZDUSSCGKSA-N 1 2 277.368 1.982 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ocnc1C ZINC001231171180 925668660 /nfs/dbraw/zinc/66/86/60/925668660.db2.gz YQRDXPUXJXHZNY-ZDUSSCGKSA-N 1 2 277.368 1.982 20 30 CDEDLO C#CCOC[C@H](O)C[NH2+][C@](CC)(CCCC)C(=O)OCC ZINC001251894466 925830898 /nfs/dbraw/zinc/83/08/98/925830898.db2.gz UODMXSLNYBYRDM-GDBMZVCRSA-N 1 2 299.411 1.489 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(F)cc1 ZINC001085455336 926001631 /nfs/dbraw/zinc/00/16/31/926001631.db2.gz HUUCXRFNQBNICY-CQSZACIVSA-N 1 2 260.312 1.605 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(F)cc1 ZINC001085455336 926001642 /nfs/dbraw/zinc/00/16/42/926001642.db2.gz HUUCXRFNQBNICY-CQSZACIVSA-N 1 2 260.312 1.605 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccns1 ZINC001085624789 926225574 /nfs/dbraw/zinc/22/55/74/926225574.db2.gz SQWWGRKGOWPLKA-JTQLQIEISA-N 1 2 251.355 1.475 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccns1 ZINC001085624789 926225580 /nfs/dbraw/zinc/22/55/80/926225580.db2.gz SQWWGRKGOWPLKA-JTQLQIEISA-N 1 2 251.355 1.475 20 30 CDEDLO C#Cc1cc(Nc2cnn(Cc3ccccn3)c2)cc[nH+]1 ZINC001201405157 926280418 /nfs/dbraw/zinc/28/04/18/926280418.db2.gz NAUXNAQDHZJXJC-UHFFFAOYSA-N 1 2 275.315 1.868 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001085691046 926290188 /nfs/dbraw/zinc/29/01/88/926290188.db2.gz WDVCCBTZDDEJBB-LBPRGKRZSA-N 1 2 288.395 1.487 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001085691046 926290194 /nfs/dbraw/zinc/29/01/94/926290194.db2.gz WDVCCBTZDDEJBB-LBPRGKRZSA-N 1 2 288.395 1.487 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2cnccc2o1 ZINC001085700754 926298299 /nfs/dbraw/zinc/29/82/99/926298299.db2.gz XCQIWVXFKUHWBP-CQSZACIVSA-N 1 2 297.358 1.997 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2cnccc2o1 ZINC001085700754 926298307 /nfs/dbraw/zinc/29/83/07/926298307.db2.gz XCQIWVXFKUHWBP-CQSZACIVSA-N 1 2 297.358 1.997 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001085827661 926429140 /nfs/dbraw/zinc/42/91/40/926429140.db2.gz YXEVHBYSVOEFRK-XQQFMLRXSA-N 1 2 270.348 1.080 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001085827661 926429145 /nfs/dbraw/zinc/42/91/45/926429145.db2.gz YXEVHBYSVOEFRK-XQQFMLRXSA-N 1 2 270.348 1.080 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1coc(C2CC2)n1 ZINC001085859201 926459137 /nfs/dbraw/zinc/45/91/37/926459137.db2.gz UCDJFQOFIQTCGG-ZDUSSCGKSA-N 1 2 287.363 1.722 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1coc(C2CC2)n1 ZINC001085859201 926459141 /nfs/dbraw/zinc/45/91/41/926459141.db2.gz UCDJFQOFIQTCGG-ZDUSSCGKSA-N 1 2 287.363 1.722 20 30 CDEDLO C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(F)C(F)(F)F)C1 ZINC001103011893 937111879 /nfs/dbraw/zinc/11/18/79/937111879.db2.gz VRGBTEIEWCZUQO-GMTAPVOTSA-N 1 2 294.292 1.594 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(F)C(F)(F)F)C1 ZINC001103011893 937111882 /nfs/dbraw/zinc/11/18/82/937111882.db2.gz VRGBTEIEWCZUQO-GMTAPVOTSA-N 1 2 294.292 1.594 20 30 CDEDLO C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001103011893 937111883 /nfs/dbraw/zinc/11/18/83/937111883.db2.gz VRGBTEIEWCZUQO-GMTAPVOTSA-N 1 2 294.292 1.594 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001103011893 937111886 /nfs/dbraw/zinc/11/18/86/937111886.db2.gz VRGBTEIEWCZUQO-GMTAPVOTSA-N 1 2 294.292 1.594 20 30 CDEDLO CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1cc[nH+]c(C)n1 ZINC001103016487 937113269 /nfs/dbraw/zinc/11/32/69/937113269.db2.gz DNWDPLPWJODXAN-LBPRGKRZSA-N 1 2 298.350 1.605 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2ccco2)C1 ZINC001108295779 927348599 /nfs/dbraw/zinc/34/85/99/927348599.db2.gz XJTCPELDUIVDHQ-INIZCTEOSA-N 1 2 290.363 1.053 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2ccco2)C1 ZINC001108295779 927348613 /nfs/dbraw/zinc/34/86/13/927348613.db2.gz XJTCPELDUIVDHQ-INIZCTEOSA-N 1 2 290.363 1.053 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCC2(C)CC2)C1 ZINC001108320685 927379650 /nfs/dbraw/zinc/37/96/50/927379650.db2.gz NIGPZFKOQLZTAF-INIZCTEOSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCC2(C)CC2)C1 ZINC001108320685 927379666 /nfs/dbraw/zinc/37/96/66/927379666.db2.gz NIGPZFKOQLZTAF-INIZCTEOSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC23CCCC3)C1 ZINC001108325034 927390288 /nfs/dbraw/zinc/39/02/88/927390288.db2.gz KKJUCEOUGJZZKZ-ZBFHGGJFSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC23CCCC3)C1 ZINC001108325034 927390298 /nfs/dbraw/zinc/39/02/98/927390298.db2.gz KKJUCEOUGJZZKZ-ZBFHGGJFSA-N 1 2 292.423 1.960 20 30 CDEDLO C[C@@H](CNc1ccc(C#N)cn1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001108337796 927407692 /nfs/dbraw/zinc/40/76/92/927407692.db2.gz NIBYKFVEGVJMSX-NSHDSACASA-N 1 2 298.350 1.226 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C)C#N)C1 ZINC001149401369 937177244 /nfs/dbraw/zinc/17/72/44/937177244.db2.gz ZTXABUZPOCGUTK-ZYHUDNBSSA-N 1 2 285.775 1.106 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](C)C#N)C1 ZINC001149401369 937177245 /nfs/dbraw/zinc/17/72/45/937177245.db2.gz ZTXABUZPOCGUTK-ZYHUDNBSSA-N 1 2 285.775 1.106 20 30 CDEDLO C=CCO[C@@H](C)C(=O)NC[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001104005907 937184420 /nfs/dbraw/zinc/18/44/20/937184420.db2.gz OJPGYOIUUCGGAE-RYUDHWBXSA-N 1 2 292.383 1.540 20 30 CDEDLO C[N@@H+]1CCOC[C@@H]1CNc1ccccc1CS ZINC001169656466 928293650 /nfs/dbraw/zinc/29/36/50/928293650.db2.gz MEMOLDVPDUEVCO-LBPRGKRZSA-N 1 2 252.383 1.859 20 30 CDEDLO C[N@H+]1CCOC[C@@H]1CNc1ccccc1CS ZINC001169656466 928293665 /nfs/dbraw/zinc/29/36/65/928293665.db2.gz MEMOLDVPDUEVCO-LBPRGKRZSA-N 1 2 252.383 1.859 20 30 CDEDLO C=C[C@@H](CO)Nc1ccc(-n2c[nH+]c(C)c2C)nn1 ZINC001169780998 928432934 /nfs/dbraw/zinc/43/29/34/928432934.db2.gz LVVLNWGDMWYDDN-NSHDSACASA-N 1 2 259.313 1.238 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC ZINC001109601558 928981911 /nfs/dbraw/zinc/98/19/11/928981911.db2.gz FDXCRJBNRWBMGD-AGIUHOORSA-N 1 2 293.411 1.056 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC ZINC001109601558 928981916 /nfs/dbraw/zinc/98/19/16/928981916.db2.gz FDXCRJBNRWBMGD-AGIUHOORSA-N 1 2 293.411 1.056 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(C)n2C)CC1 ZINC001112610320 929250389 /nfs/dbraw/zinc/25/03/89/929250389.db2.gz BWLWKQFIFSLRBE-UHFFFAOYSA-N 1 2 291.395 1.294 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)OCC(C)C)CC1 ZINC001112657364 929294367 /nfs/dbraw/zinc/29/43/67/929294367.db2.gz CYIQULIQUQPICH-ZDUSSCGKSA-N 1 2 254.374 1.378 20 30 CDEDLO C=CCCC[NH+]1CCN(C(=O)c2cnc(C)[nH]2)CC1 ZINC001112698914 929332771 /nfs/dbraw/zinc/33/27/71/929332771.db2.gz LWTWUGRXBZYBAN-UHFFFAOYSA-N 1 2 262.357 1.442 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](OCC)C2CC2)CC1 ZINC001112857456 929503575 /nfs/dbraw/zinc/50/35/75/929503575.db2.gz LGLRBRYSCFWMHT-CQSZACIVSA-N 1 2 266.385 1.522 20 30 CDEDLO C=C(C)CCC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001112898469 929545110 /nfs/dbraw/zinc/54/51/10/929545110.db2.gz SBYSHAPEKVIPMS-UHFFFAOYSA-N 1 2 276.384 1.384 20 30 CDEDLO N#Cc1ccc(CCN2CCC(F)(F)[C@H]([NH3+])C2)cc1 ZINC001206646808 937423530 /nfs/dbraw/zinc/42/35/30/937423530.db2.gz DUBQYXBWIMAXPU-CYBMUJFWSA-N 1 2 265.307 1.769 20 30 CDEDLO CC[N@H+](Cc1ncccn1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207483 937429333 /nfs/dbraw/zinc/42/93/33/937429333.db2.gz KHUYPLGTOAODIR-CQSZACIVSA-N 1 2 288.395 1.463 20 30 CDEDLO CC[N@@H+](Cc1ncccn1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207483 937429335 /nfs/dbraw/zinc/42/93/35/937429335.db2.gz KHUYPLGTOAODIR-CQSZACIVSA-N 1 2 288.395 1.463 20 30 CDEDLO CC(C)NC(=S)NN=Cc1cccc2[nH+]ccn21 ZINC001116321705 937441706 /nfs/dbraw/zinc/44/17/06/937441706.db2.gz LGVNCNGUYVJSMT-UHFFFAOYSA-N 1 2 261.354 1.541 20 30 CDEDLO CC[C@H](C)NC(=O)[C@H]1CC12CC[NH+](CCC#N)CC2 ZINC001274030446 931129075 /nfs/dbraw/zinc/12/90/75/931129075.db2.gz MZOBOCKQNGIVIS-QWHCGFSZSA-N 1 2 263.385 1.917 20 30 CDEDLO COc1c[nH+]c(NCCCS)nc1NC1CC1 ZINC001170999377 931234501 /nfs/dbraw/zinc/23/45/01/931234501.db2.gz FAUWWTHENUUSOP-UHFFFAOYSA-N 1 2 254.359 1.791 20 30 CDEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cnc[nH]1)C2 ZINC001136869909 931428778 /nfs/dbraw/zinc/42/87/78/931428778.db2.gz BQCUCJUWSPZQMT-CABCVRRESA-N 1 2 277.368 1.736 20 30 CDEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cnc[nH]1)C2 ZINC001136869909 931428781 /nfs/dbraw/zinc/42/87/81/931428781.db2.gz BQCUCJUWSPZQMT-CABCVRRESA-N 1 2 277.368 1.736 20 30 CDEDLO C[N@@H+]1CCC12CN(C(=O)c1c(F)cccc1C#N)C2 ZINC001275015192 931634023 /nfs/dbraw/zinc/63/40/23/931634023.db2.gz IEVRMTZXAROSEO-UHFFFAOYSA-N 1 2 259.284 1.227 20 30 CDEDLO C[N@H+]1CCC12CN(C(=O)c1c(F)cccc1C#N)C2 ZINC001275015192 931634028 /nfs/dbraw/zinc/63/40/28/931634028.db2.gz IEVRMTZXAROSEO-UHFFFAOYSA-N 1 2 259.284 1.227 20 30 CDEDLO C#Cc1ccc(C[NH+]2CC(N3C[C@@H](C)O[C@H](C)C3)C2)cc1 ZINC001144580484 931902393 /nfs/dbraw/zinc/90/23/93/931902393.db2.gz DLIRKWSXXPNXKJ-HUUCEWRRSA-N 1 2 284.403 1.961 20 30 CDEDLO CC[C@@H](C(=O)N(C)C[C@H](C)C#N)[N@@H+]1CCO[C@H](CC)C1 ZINC001411667118 931949043 /nfs/dbraw/zinc/94/90/43/931949043.db2.gz SSBKJIUOTUETQK-MCIONIFRSA-N 1 2 281.400 1.494 20 30 CDEDLO CC[C@@H](C(=O)N(C)C[C@H](C)C#N)[N@H+]1CCO[C@H](CC)C1 ZINC001411667118 931949046 /nfs/dbraw/zinc/94/90/46/931949046.db2.gz SSBKJIUOTUETQK-MCIONIFRSA-N 1 2 281.400 1.494 20 30 CDEDLO Cc1c[nH]c(CCNC(=O)C=CC(=O)c2ccccc2)[nH+]1 ZINC001144710358 931974110 /nfs/dbraw/zinc/97/41/10/931974110.db2.gz LUCJEHMKYQERRZ-BQYQJAHWSA-N 1 2 283.331 1.816 20 30 CDEDLO COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1ncc(C)cc1C#N ZINC001160690767 931992655 /nfs/dbraw/zinc/99/26/55/931992655.db2.gz HEYFYKRDJKMAIQ-CYBMUJFWSA-N 1 2 299.334 1.191 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cccnc1 ZINC001275757762 932003108 /nfs/dbraw/zinc/00/31/08/932003108.db2.gz IIRCELDFAPKTCI-NSHDSACASA-N 1 2 267.760 1.884 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cccnc1 ZINC001275757762 932003114 /nfs/dbraw/zinc/00/31/14/932003114.db2.gz IIRCELDFAPKTCI-NSHDSACASA-N 1 2 267.760 1.884 20 30 CDEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCNC(=O)[C@H]1C ZINC001171221298 932012404 /nfs/dbraw/zinc/01/24/04/932012404.db2.gz KESBYOKGMUNAHW-NWDGAFQWSA-N 1 2 257.337 1.310 20 30 CDEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCNC(=O)[C@H]1C ZINC001171221298 932012414 /nfs/dbraw/zinc/01/24/14/932012414.db2.gz KESBYOKGMUNAHW-NWDGAFQWSA-N 1 2 257.337 1.310 20 30 CDEDLO C#Cc1cccc(C[NH+]2CC3(CCN3CC(=O)N(C)C)C2)c1 ZINC001276097979 932523670 /nfs/dbraw/zinc/52/36/70/932523670.db2.gz WZOWXWZVTVZODG-UHFFFAOYSA-N 1 2 297.402 1.016 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)CC2CC2)C1 ZINC001148985604 932820742 /nfs/dbraw/zinc/82/07/42/932820742.db2.gz JBZIEGUPHQFGCG-ZDUSSCGKSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)CC2CC2)C1 ZINC001148985604 932820745 /nfs/dbraw/zinc/82/07/45/932820745.db2.gz JBZIEGUPHQFGCG-ZDUSSCGKSA-N 1 2 286.803 1.746 20 30 CDEDLO Cc1cc(N[C@@H]2C(=O)N(O)C[C@@H]2C)[nH+]c2cc[nH]c21 ZINC001171368543 932886813 /nfs/dbraw/zinc/88/68/13/932886813.db2.gz IQHDMOMPHXDSHS-UFBFGSQYSA-N 1 2 260.297 1.519 20 30 CDEDLO CC(=O)C=C(C)Nc1cccc(N2CCOCC2)[nH+]1 ZINC001155891226 937685849 /nfs/dbraw/zinc/68/58/49/937685849.db2.gz RTWZUHDLOUZPSM-KHPPLWFESA-N 1 2 261.325 1.823 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(OC)cs1)C2 ZINC001095860392 934751391 /nfs/dbraw/zinc/75/13/91/934751391.db2.gz RZGKMPRJJQJFFG-WXHSDQCUSA-N 1 2 290.388 1.725 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(OC)cs1)C2 ZINC001095860392 934751393 /nfs/dbraw/zinc/75/13/93/934751393.db2.gz RZGKMPRJJQJFFG-WXHSDQCUSA-N 1 2 290.388 1.725 20 30 CDEDLO C=CCn1cccc1C(=O)N(C)C1C[NH+](CCOC)C1 ZINC001042929017 935830656 /nfs/dbraw/zinc/83/06/56/935830656.db2.gz OWCDLOYYBIEUPW-UHFFFAOYSA-N 1 2 277.368 1.077 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001044392543 935859714 /nfs/dbraw/zinc/85/97/14/935859714.db2.gz CNANCBHTDOHVOR-LBPRGKRZSA-N 1 2 276.384 1.242 20 30 CDEDLO CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001096688699 936205248 /nfs/dbraw/zinc/20/52/48/936205248.db2.gz AMMHDOSYJWQMNZ-BMFZPTHFSA-N 1 2 287.338 1.939 20 30 CDEDLO CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001096688699 936205251 /nfs/dbraw/zinc/20/52/51/936205251.db2.gz AMMHDOSYJWQMNZ-BMFZPTHFSA-N 1 2 287.338 1.939 20 30 CDEDLO CCCCCCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC ZINC001123888756 936240190 /nfs/dbraw/zinc/24/01/90/936240190.db2.gz KRICVEFHPTZXDP-ZDUSSCGKSA-N 1 2 294.399 1.544 20 30 CDEDLO CCCCCCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC ZINC001123888756 936240194 /nfs/dbraw/zinc/24/01/94/936240194.db2.gz KRICVEFHPTZXDP-ZDUSSCGKSA-N 1 2 294.399 1.544 20 30 CDEDLO C#CCN(CC)c1nnc([C@@H]2CCCC[N@@H+]2C)n1CC ZINC001121879528 937886763 /nfs/dbraw/zinc/88/67/63/937886763.db2.gz QATORNILMFBREB-ZDUSSCGKSA-N 1 2 275.400 1.914 20 30 CDEDLO C#CCN(CC)c1nnc([C@@H]2CCCC[N@H+]2C)n1CC ZINC001121879528 937886765 /nfs/dbraw/zinc/88/67/65/937886765.db2.gz QATORNILMFBREB-ZDUSSCGKSA-N 1 2 275.400 1.914 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122456448 937933230 /nfs/dbraw/zinc/93/32/30/937933230.db2.gz BPOSHWYEDLAFRV-WFASDCNBSA-N 1 2 292.383 1.276 20 30 CDEDLO Cc1conc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001206659570 938312199 /nfs/dbraw/zinc/31/21/99/938312199.db2.gz NYWJGHPSLXCCMN-CKYFFXLPSA-N 1 2 276.340 1.079 20 30 CDEDLO Cc1conc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001206659570 938312201 /nfs/dbraw/zinc/31/22/01/938312201.db2.gz NYWJGHPSLXCCMN-CKYFFXLPSA-N 1 2 276.340 1.079 20 30 CDEDLO C#CCCCCC(=O)NCCC[NH2+][C@H](C)c1noc(C)n1 ZINC001156815752 938420936 /nfs/dbraw/zinc/42/09/36/938420936.db2.gz DQXJJBFHOSINQR-GFCCVEGCSA-N 1 2 292.383 1.729 20 30 CDEDLO N#Cc1ccnc(NC(=O)c2ccc3[nH+]c(N)[nH]c3c2)c1 ZINC001156963798 938439273 /nfs/dbraw/zinc/43/92/73/938439273.db2.gz GWNWJNUUSGEZBN-UHFFFAOYSA-N 1 2 278.275 1.664 20 30 CDEDLO CCN(c1nc(Cl)c(C#N)cc1C#N)C1C[NH+](C)C1 ZINC001157455194 938494506 /nfs/dbraw/zinc/49/45/06/938494506.db2.gz CDROCJOSUKYDSY-UHFFFAOYSA-N 1 2 275.743 1.619 20 30 CDEDLO Cc1nc(NC(=N)c2nccs2)cc(N(C)C)[nH+]1 ZINC001157490712 938501720 /nfs/dbraw/zinc/50/17/20/938501720.db2.gz LTHBXQAFNQWANI-UHFFFAOYSA-N 1 2 262.342 1.345 20 30 CDEDLO N#Cc1c(F)ccnc1NCC1([NH+]2CCCC2)COC1 ZINC001157655772 938527868 /nfs/dbraw/zinc/52/78/68/938527868.db2.gz QTHLVEBMQWJFDG-UHFFFAOYSA-N 1 2 276.315 1.369 20 30 CDEDLO COc1cc(N2CCN(c3cnc(C#N)cn3)CC2)cc[nH+]1 ZINC001158098633 938582703 /nfs/dbraw/zinc/58/27/03/938582703.db2.gz RQANWHCDTCOBFP-UHFFFAOYSA-N 1 2 296.334 1.078 20 30 CDEDLO COC(=O)[C@H]1CN(c2[nH+]c(C)ccc2CC#N)C[C@@H]1C ZINC001158513884 938631819 /nfs/dbraw/zinc/63/18/19/938631819.db2.gz MNLNVEOMHPAHOQ-GWCFXTLKSA-N 1 2 273.336 1.701 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNc2ncc3ccccc3c2C#N)C1 ZINC001162682977 939115029 /nfs/dbraw/zinc/11/50/29/939115029.db2.gz MCXBFGUWAFVKMJ-CYBMUJFWSA-N 1 2 282.347 1.849 20 30 CDEDLO C[N@H+]1CCO[C@H](CNc2ncc3ccccc3c2C#N)C1 ZINC001162682977 939115030 /nfs/dbraw/zinc/11/50/30/939115030.db2.gz MCXBFGUWAFVKMJ-CYBMUJFWSA-N 1 2 282.347 1.849 20 30 CDEDLO Cc1cccc2ccnc(N3CC[NH2+]C[C@H]3C#N)c12 ZINC001164662354 939503029 /nfs/dbraw/zinc/50/30/29/939503029.db2.gz WUUDLLKZWMRQBN-CYBMUJFWSA-N 1 2 252.321 1.845 20 30 CDEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCN4C(=O)CC[C@@H]4C3)c12 ZINC001166953932 939658403 /nfs/dbraw/zinc/65/84/03/939658403.db2.gz SDNMAMVLHDTOJF-LLVKDONJSA-N 1 2 281.319 1.246 20 30 CDEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccccn2)CC1 ZINC001204062963 939727292 /nfs/dbraw/zinc/72/72/92/939727292.db2.gz XJENZQUPGPFFGX-UHFFFAOYSA-N 1 2 273.336 1.750 20 30 CDEDLO N#Cc1cc(Nc2ccccc2C[NH+]2CCOCC2)ccn1 ZINC001206612879 940071766 /nfs/dbraw/zinc/07/17/66/940071766.db2.gz GNPKHTXEGYDZSH-UHFFFAOYSA-N 1 2 294.358 1.951 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1C ZINC001207216176 940167273 /nfs/dbraw/zinc/16/72/73/940167273.db2.gz XRKUQYFNYSIIPD-DGCLKSJQSA-N 1 2 294.424 1.831 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1C ZINC001207216176 940167275 /nfs/dbraw/zinc/16/72/75/940167275.db2.gz XRKUQYFNYSIIPD-DGCLKSJQSA-N 1 2 294.424 1.831 20 30 CDEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](CC(=O)OCC)C2 ZINC001207416231 940191809 /nfs/dbraw/zinc/19/18/09/940191809.db2.gz MWLNWESXTUGCNB-DZGCQCFKSA-N 1 2 283.368 1.376 20 30 CDEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](CC(=O)OCC)C2 ZINC001207416231 940191811 /nfs/dbraw/zinc/19/18/11/940191811.db2.gz MWLNWESXTUGCNB-DZGCQCFKSA-N 1 2 283.368 1.376 20 30 CDEDLO C=CCN(CC[N@@H+]1CCC[C@]1(C)C(=O)OC)C(=O)OCC ZINC001209017069 940423124 /nfs/dbraw/zinc/42/31/24/940423124.db2.gz JSAZNLGTCRGUAK-OAHLLOKOSA-N 1 2 298.383 1.658 20 30 CDEDLO C=CCN(CC[N@H+]1CCC[C@]1(C)C(=O)OC)C(=O)OCC ZINC001209017069 940423126 /nfs/dbraw/zinc/42/31/26/940423126.db2.gz JSAZNLGTCRGUAK-OAHLLOKOSA-N 1 2 298.383 1.658 20 30 CDEDLO C=CCN(CC[N@@H+]1CCOC[C@H]1CC)C(=O)OCC ZINC001209022788 940426041 /nfs/dbraw/zinc/42/60/41/940426041.db2.gz UJUWIYVBOWMDSM-CYBMUJFWSA-N 1 2 270.373 1.742 20 30 CDEDLO C=CCN(CC[N@H+]1CCOC[C@H]1CC)C(=O)OCC ZINC001209022788 940426042 /nfs/dbraw/zinc/42/60/42/940426042.db2.gz UJUWIYVBOWMDSM-CYBMUJFWSA-N 1 2 270.373 1.742 20 30 CDEDLO C=CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnsn2)C1 ZINC001214301606 940813628 /nfs/dbraw/zinc/81/36/28/940813628.db2.gz GKUIXIQGRSXGHZ-ZYHUDNBSSA-N 1 2 280.397 1.441 20 30 CDEDLO C=CCC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001214672108 940835990 /nfs/dbraw/zinc/83/59/90/940835990.db2.gz FLLAPGLLVPANGO-BBBLOLIVSA-N 1 2 282.281 1.899 20 30 CDEDLO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C ZINC001214672108 940835997 /nfs/dbraw/zinc/83/59/97/940835997.db2.gz FLLAPGLLVPANGO-BBBLOLIVSA-N 1 2 282.281 1.899 20 30 CDEDLO C=C1CC[NH2+]C[C@@H]1Oc1[nH]c(=O)nc2cc(OC)ccc21 ZINC001218208310 941044031 /nfs/dbraw/zinc/04/40/31/941044031.db2.gz ZQHDASKEOVCEHL-ZDUSSCGKSA-N 1 2 287.319 1.641 20 30 CDEDLO N#Cc1cc(NCC[NH+]2CCSCC2)c([N+](=O)[O-])s1 ZINC000407131476 941213150 /nfs/dbraw/zinc/21/31/50/941213150.db2.gz UZMZMIQWBAKOGA-UHFFFAOYSA-N 1 2 298.393 1.989 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCC3(C)CC3)[C@H]2C1 ZINC001218887178 941283873 /nfs/dbraw/zinc/28/38/73/941283873.db2.gz NSJNALXIEVVYAV-UONOGXRCSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCC3(C)CC3)[C@H]2C1 ZINC001218887178 941283875 /nfs/dbraw/zinc/28/38/75/941283875.db2.gz NSJNALXIEVVYAV-UONOGXRCSA-N 1 2 276.380 1.112 20 30 CDEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001220198058 941422756 /nfs/dbraw/zinc/42/27/56/941422756.db2.gz CLYUVTIQEAQXBJ-YPOUMARWSA-N 1 2 286.803 1.503 20 30 CDEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001220198058 941422757 /nfs/dbraw/zinc/42/27/57/941422757.db2.gz CLYUVTIQEAQXBJ-YPOUMARWSA-N 1 2 286.803 1.503 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)cc1F ZINC001362055936 970827665 /nfs/dbraw/zinc/82/76/65/970827665.db2.gz YWWMPMKMJFTUFV-JTQLQIEISA-N 1 2 272.283 1.712 20 30 CDEDLO C#CCCC[N@H+]1CCc2c([nH]nc2C(=O)NCC(F)F)C1 ZINC001276977533 941763985 /nfs/dbraw/zinc/76/39/85/941763985.db2.gz BCIWWGVYCDMZCX-UHFFFAOYSA-N 1 2 296.321 1.176 20 30 CDEDLO C#CCCC[N@@H+]1CCc2c([nH]nc2C(=O)NCC(F)F)C1 ZINC001276977533 941763989 /nfs/dbraw/zinc/76/39/89/941763989.db2.gz BCIWWGVYCDMZCX-UHFFFAOYSA-N 1 2 296.321 1.176 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(Cl)nn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226459608 942007881 /nfs/dbraw/zinc/00/78/81/942007881.db2.gz IJHBAIDIAKWQGK-NTBMCGCHSA-N 1 2 267.716 1.121 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(Cl)nn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226459608 942007886 /nfs/dbraw/zinc/00/78/86/942007886.db2.gz IJHBAIDIAKWQGK-NTBMCGCHSA-N 1 2 267.716 1.121 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccccc3=O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227422086 942174321 /nfs/dbraw/zinc/17/43/21/942174321.db2.gz UYKYBKISLQQQDC-RBRDRRMGSA-N 1 2 259.305 1.038 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccccc3=O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227422086 942174323 /nfs/dbraw/zinc/17/43/23/942174323.db2.gz UYKYBKISLQQQDC-RBRDRRMGSA-N 1 2 259.305 1.038 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc(-c4nnco4)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228361844 942303987 /nfs/dbraw/zinc/30/39/87/942303987.db2.gz WLDGSOFBWALUCA-ABWMFPBJSA-N 1 2 299.330 1.728 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc(-c4nnco4)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228361844 942303990 /nfs/dbraw/zinc/30/39/90/942303990.db2.gz WLDGSOFBWALUCA-ABWMFPBJSA-N 1 2 299.330 1.728 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2cc(F)c(F)cc2C#N)C1 ZINC001229838562 942539958 /nfs/dbraw/zinc/53/99/58/942539958.db2.gz VHCBAKOPFHIDFT-SNVBAGLBSA-N 1 2 268.263 1.546 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2cc(F)c(F)cc2C#N)C1 ZINC001229838562 942539962 /nfs/dbraw/zinc/53/99/62/942539962.db2.gz VHCBAKOPFHIDFT-SNVBAGLBSA-N 1 2 268.263 1.546 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC ZINC001230547420 942637825 /nfs/dbraw/zinc/63/78/25/942637825.db2.gz IHQKDDCQTKARHG-CQSZACIVSA-N 1 2 295.427 1.354 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC ZINC001230547420 942637828 /nfs/dbraw/zinc/63/78/28/942637828.db2.gz IHQKDDCQTKARHG-CQSZACIVSA-N 1 2 295.427 1.354 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1 ZINC001230752325 942688519 /nfs/dbraw/zinc/68/85/19/942688519.db2.gz FYIUNEMFQWPICV-AWEZNQCLSA-N 1 2 276.336 1.076 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1 ZINC001230752325 942688522 /nfs/dbraw/zinc/68/85/22/942688522.db2.gz FYIUNEMFQWPICV-AWEZNQCLSA-N 1 2 276.336 1.076 20 30 CDEDLO C=C[C@@H](Oc1cc2c(cc1O)C=[NH+]CC2)C(=O)OC ZINC001230921382 942735245 /nfs/dbraw/zinc/73/52/45/942735245.db2.gz MAUOPLBAOKNURN-GFCCVEGCSA-N 1 2 261.277 1.474 20 30 CDEDLO COc1ccc(C[NH+]2CC(CC#N)C2)cc1OC(C)=O ZINC001231703661 942983433 /nfs/dbraw/zinc/98/34/33/942983433.db2.gz IQYMZCYFJNIOHR-UHFFFAOYSA-N 1 2 274.320 1.966 20 30 CDEDLO CN(C)C(=O)C[N@H+](C)Cc1ccc(C#N)c(Cl)c1 ZINC001232115744 943143168 /nfs/dbraw/zinc/14/31/68/943143168.db2.gz ARWJIPSLLIGCBC-UHFFFAOYSA-N 1 2 265.744 1.732 20 30 CDEDLO CN(C)C(=O)C[N@@H+](C)Cc1ccc(C#N)c(Cl)c1 ZINC001232115744 943143175 /nfs/dbraw/zinc/14/31/75/943143175.db2.gz ARWJIPSLLIGCBC-UHFFFAOYSA-N 1 2 265.744 1.732 20 30 CDEDLO CC(=O)Nc1nc(C[NH+]2CCC(S)CC2)cs1 ZINC001232287557 943203334 /nfs/dbraw/zinc/20/33/34/943203334.db2.gz PTMSDQJQIIAKHA-UHFFFAOYSA-N 1 2 271.411 1.996 20 30 CDEDLO N#Cc1ccnc(C[NH+]2CCN(c3ccc(O)cc3)CC2)c1 ZINC001232474435 943290032 /nfs/dbraw/zinc/29/00/32/943290032.db2.gz CYMXUALKZHTDAJ-UHFFFAOYSA-N 1 2 294.358 1.981 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@](F)(CO)C2)c1 ZINC001232674021 943357496 /nfs/dbraw/zinc/35/74/96/943357496.db2.gz POPJQSMXNOBJKG-CYBMUJFWSA-N 1 2 250.273 1.170 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@](F)(CO)C2)c1 ZINC001232674021 943357498 /nfs/dbraw/zinc/35/74/98/943357498.db2.gz POPJQSMXNOBJKG-CYBMUJFWSA-N 1 2 250.273 1.170 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)c1 ZINC001232678738 943359785 /nfs/dbraw/zinc/35/97/85/943359785.db2.gz NZEKTCVVYVAWIO-TXEJJXNPSA-N 1 2 256.305 1.675 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)c1 ZINC001232678738 943359793 /nfs/dbraw/zinc/35/97/93/943359793.db2.gz NZEKTCVVYVAWIO-TXEJJXNPSA-N 1 2 256.305 1.675 20 30 CDEDLO Cc1ccc(CN2CC[C@H]([NH+]3CCOCC3)C2)c(C#N)c1 ZINC001232966544 943448180 /nfs/dbraw/zinc/44/81/80/943448180.db2.gz PTGLYKGRQMNLRW-KRWDZBQOSA-N 1 2 285.391 1.773 20 30 CDEDLO N#Cc1cc[nH]c1CN1CC[NH+](Cc2ccncc2)CC1 ZINC001233043510 943473482 /nfs/dbraw/zinc/47/34/82/943473482.db2.gz DMAAWTIEHQUPNN-UHFFFAOYSA-N 1 2 281.363 1.599 20 30 CDEDLO N#Cc1cc[nH]c1C[NH+]1CCC(N2CC(F)C2)CC1 ZINC001233047056 943474758 /nfs/dbraw/zinc/47/47/58/943474758.db2.gz NRLOSCZDOFMVSW-UHFFFAOYSA-N 1 2 262.332 1.504 20 30 CDEDLO CS(=O)(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC001233267613 943524678 /nfs/dbraw/zinc/52/46/78/943524678.db2.gz ANFGFLGKQALHGO-CYBMUJFWSA-N 1 2 293.392 1.794 20 30 CDEDLO CS(=O)(=O)Nc1ccc(C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC001233267613 943524680 /nfs/dbraw/zinc/52/46/80/943524680.db2.gz ANFGFLGKQALHGO-CYBMUJFWSA-N 1 2 293.392 1.794 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN([C@H]3CCOC3)CC2)c(O)c1 ZINC001233383331 943570287 /nfs/dbraw/zinc/57/02/87/943570287.db2.gz DUALKDPIYWZMHQ-HNNXBMFYSA-N 1 2 287.363 1.170 20 30 CDEDLO N#Cc1ccc(CN2CC[NH+]([C@H]3CCOC3)CC2)c(O)c1 ZINC001233383331 943570289 /nfs/dbraw/zinc/57/02/89/943570289.db2.gz DUALKDPIYWZMHQ-HNNXBMFYSA-N 1 2 287.363 1.170 20 30 CDEDLO CC[C@H](SC)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001233695018 943641651 /nfs/dbraw/zinc/64/16/51/943641651.db2.gz QGJPCPMXFKUYKR-KGLIPLIRSA-N 1 2 298.452 1.311 20 30 CDEDLO CC[C@H](SC)C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001233695018 943641654 /nfs/dbraw/zinc/64/16/54/943641654.db2.gz QGJPCPMXFKUYKR-KGLIPLIRSA-N 1 2 298.452 1.311 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cncs1 ZINC001233948496 943697762 /nfs/dbraw/zinc/69/77/62/943697762.db2.gz WLXKWMILWCTKRQ-ZDUSSCGKSA-N 1 2 291.420 1.979 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cncs1 ZINC001233948496 943697765 /nfs/dbraw/zinc/69/77/65/943697765.db2.gz WLXKWMILWCTKRQ-ZDUSSCGKSA-N 1 2 291.420 1.979 20 30 CDEDLO Cc1ncc(C[N@H+]2CC[C@H]2CN(C)C(=O)C#CC2CC2)o1 ZINC001234187330 943768559 /nfs/dbraw/zinc/76/85/59/943768559.db2.gz XAFBUSZQHPLCHA-AWEZNQCLSA-N 1 2 287.363 1.429 20 30 CDEDLO Cc1ncc(C[N@@H+]2CC[C@H]2CN(C)C(=O)C#CC2CC2)o1 ZINC001234187330 943768565 /nfs/dbraw/zinc/76/85/65/943768565.db2.gz XAFBUSZQHPLCHA-AWEZNQCLSA-N 1 2 287.363 1.429 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(CC(C)C)CC1 ZINC001235191891 944083075 /nfs/dbraw/zinc/08/30/75/944083075.db2.gz JSOBTBWVRHHLGW-CQSZACIVSA-N 1 2 262.397 1.979 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(CC(C)C)CC1 ZINC001235191891 944083079 /nfs/dbraw/zinc/08/30/79/944083079.db2.gz JSOBTBWVRHHLGW-CQSZACIVSA-N 1 2 262.397 1.979 20 30 CDEDLO N#Cc1ccc2nc(C[NH+]3CC4(C3)CCOCC4)cn2c1 ZINC001237607862 944880097 /nfs/dbraw/zinc/88/00/97/944880097.db2.gz APJSWOLBJMTRFH-UHFFFAOYSA-N 1 2 282.347 1.818 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cc(Cl)cc(-c2nn[nH]n2)c1 ZINC001573282580 946694694 /nfs/dbraw/zinc/69/46/94/946694694.db2.gz KQYYTXRZJQAGPR-UHFFFAOYSA-N 1 2 285.738 1.589 20 30 CDEDLO C#CC[N@@H+](Cc1cn(Cc2cccnc2)nn1)CC1CC1 ZINC001254644944 947567904 /nfs/dbraw/zinc/56/79/04/947567904.db2.gz BWEIXNMZMVMFBB-UHFFFAOYSA-N 1 2 281.363 1.567 20 30 CDEDLO C#CC[N@H+](Cc1cn(Cc2cccnc2)nn1)CC1CC1 ZINC001254644944 947567912 /nfs/dbraw/zinc/56/79/12/947567912.db2.gz BWEIXNMZMVMFBB-UHFFFAOYSA-N 1 2 281.363 1.567 20 30 CDEDLO C=CC[NH+]1CCN(C(=S)NCCc2ccccc2)CC1 ZINC001245310422 947631573 /nfs/dbraw/zinc/63/15/73/947631573.db2.gz YKPIIWIDIYYJMD-UHFFFAOYSA-N 1 2 289.448 1.907 20 30 CDEDLO CCOC1CCC([NH2+][C@@H](CS)C(=O)OC)CC1 ZINC001256429108 948319924 /nfs/dbraw/zinc/31/99/24/948319924.db2.gz ABUUXYZQJFPOPG-ILDUYXDCSA-N 1 2 261.387 1.395 20 30 CDEDLO C=CC[NH+]1CCN(Cc2nc(C(=O)OC)cs2)CC1 ZINC001249474213 949618992 /nfs/dbraw/zinc/61/89/92/949618992.db2.gz CMSXDJFCLJJCCE-UHFFFAOYSA-N 1 2 281.381 1.233 20 30 CDEDLO Nc1ccccc1C(NO)=[NH+]c1ccc2c(c1)NC(=O)C2 ZINC001250321354 950107946 /nfs/dbraw/zinc/10/79/46/950107946.db2.gz NRPWYHPUNGQXHP-UHFFFAOYSA-N 1 2 282.303 1.821 20 30 CDEDLO CCOC(=O)C1CCC(O)(C[N@@H+]2CCC[C@H]2C#N)CC1 ZINC001251048433 950581029 /nfs/dbraw/zinc/58/10/29/950581029.db2.gz IRSLFUXSOCYURQ-OWYJLGKBSA-N 1 2 280.368 1.459 20 30 CDEDLO CCOC(=O)C1CCC(O)(C[N@H+]2CCC[C@H]2C#N)CC1 ZINC001251048433 950581042 /nfs/dbraw/zinc/58/10/42/950581042.db2.gz IRSLFUXSOCYURQ-OWYJLGKBSA-N 1 2 280.368 1.459 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COCC(F)(F)C(F)F ZINC001251549415 950713394 /nfs/dbraw/zinc/71/33/94/950713394.db2.gz AHZOOTISDYOMGH-QMMMGPOBSA-N 1 2 272.242 1.110 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COCC(F)(F)C(F)F ZINC001251549415 950713403 /nfs/dbraw/zinc/71/34/03/950713403.db2.gz AHZOOTISDYOMGH-QMMMGPOBSA-N 1 2 272.242 1.110 20 30 CDEDLO C=C[C@](C)(O)C[N@@H+]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC001252556346 951450574 /nfs/dbraw/zinc/45/05/74/951450574.db2.gz CHGOJSQHPRATAZ-NSHDSACASA-N 1 2 275.274 1.724 20 30 CDEDLO C=C[C@](C)(O)C[N@H+]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC001252556346 951450580 /nfs/dbraw/zinc/45/05/80/951450580.db2.gz CHGOJSQHPRATAZ-NSHDSACASA-N 1 2 275.274 1.724 20 30 CDEDLO C=C[C@H](O)CN1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001253578535 951969389 /nfs/dbraw/zinc/96/93/89/951969389.db2.gz CZXXOFFWESGCKQ-AWEZNQCLSA-N 1 2 286.379 1.227 20 30 CDEDLO C=C[C@@H](O)C[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC001253585215 951973943 /nfs/dbraw/zinc/97/39/43/951973943.db2.gz ASNPGNIHPYHTDR-KGLIPLIRSA-N 1 2 251.301 1.746 20 30 CDEDLO C=C[C@@H](O)C[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC001253585215 951973948 /nfs/dbraw/zinc/97/39/48/951973948.db2.gz ASNPGNIHPYHTDR-KGLIPLIRSA-N 1 2 251.301 1.746 20 30 CDEDLO CCn1cnc2c1CC[N@H+](C[C@H](O)c1cccc(C#N)c1)C2 ZINC001364813284 955194120 /nfs/dbraw/zinc/19/41/20/955194120.db2.gz MWRGBKUAWMNPKE-KRWDZBQOSA-N 1 2 296.374 1.866 20 30 CDEDLO CCn1cnc2c1CC[N@@H+](C[C@H](O)c1cccc(C#N)c1)C2 ZINC001364813284 955194126 /nfs/dbraw/zinc/19/41/26/955194126.db2.gz MWRGBKUAWMNPKE-KRWDZBQOSA-N 1 2 296.374 1.866 20 30 CDEDLO CCn1c[nH+]c2c1CCN(C[C@H](O)c1cccc(C#N)c1)C2 ZINC001364813284 955194141 /nfs/dbraw/zinc/19/41/41/955194141.db2.gz MWRGBKUAWMNPKE-KRWDZBQOSA-N 1 2 296.374 1.866 20 30 CDEDLO Cc1noc([C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)n1 ZINC001421841844 955586178 /nfs/dbraw/zinc/58/61/78/955586178.db2.gz PLYNLAFCXBLNKU-QWRGUYRKSA-N 1 2 293.371 1.379 20 30 CDEDLO Cc1noc([C@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)n1 ZINC001421841844 955586189 /nfs/dbraw/zinc/58/61/89/955586189.db2.gz PLYNLAFCXBLNKU-QWRGUYRKSA-N 1 2 293.371 1.379 20 30 CDEDLO C=C(C)CCC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001336521062 955852655 /nfs/dbraw/zinc/85/26/55/955852655.db2.gz PXACOWHZKZJREC-BETUJISGSA-N 1 2 252.358 1.322 20 30 CDEDLO C=C(C)CCC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001336521062 955852666 /nfs/dbraw/zinc/85/26/66/955852666.db2.gz PXACOWHZKZJREC-BETUJISGSA-N 1 2 252.358 1.322 20 30 CDEDLO N#Cc1ccc(C[NH2+]Cc2cc(C(N)=O)no2)cc1F ZINC001365567356 956163151 /nfs/dbraw/zinc/16/31/51/956163151.db2.gz DMDCIPFXXCZJAQ-UHFFFAOYSA-N 1 2 274.255 1.074 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C[C@H]2CCOC2)C1 ZINC001422757064 956309868 /nfs/dbraw/zinc/30/98/68/956309868.db2.gz YIYWHSHQODKAGU-VXGBXAGGSA-N 1 2 286.803 1.602 20 30 CDEDLO C#C[C@H]([NH2+]Cc1c(Cl)ncn1CC)[C@H]1CCCO1 ZINC001308378537 956524108 /nfs/dbraw/zinc/52/41/08/956524108.db2.gz ZHUHQDJAPOTWQV-CMPLNLGQSA-N 1 2 267.760 1.827 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCc2ccnn2C)C1 ZINC001494558084 972257036 /nfs/dbraw/zinc/25/70/36/972257036.db2.gz WSNNJEYNKWRMFL-UHFFFAOYSA-N 1 2 296.802 1.153 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnoc1C1CC1 ZINC001492482058 957340695 /nfs/dbraw/zinc/34/06/95/957340695.db2.gz PTZWELBWTXFFAU-UHFFFAOYSA-N 1 2 283.759 1.966 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnoc1C1CC1 ZINC001492482058 957340704 /nfs/dbraw/zinc/34/07/04/957340704.db2.gz PTZWELBWTXFFAU-UHFFFAOYSA-N 1 2 283.759 1.966 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccnc(C)c1 ZINC001317466460 957495933 /nfs/dbraw/zinc/49/59/33/957495933.db2.gz SPGIQMFBESQDOD-UHFFFAOYSA-N 1 2 267.760 1.804 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccnc(C)c1 ZINC001317466460 957495937 /nfs/dbraw/zinc/49/59/37/957495937.db2.gz SPGIQMFBESQDOD-UHFFFAOYSA-N 1 2 267.760 1.804 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001320413837 959154979 /nfs/dbraw/zinc/15/49/79/959154979.db2.gz OTAUCAXQGWIQJQ-CABCVRRESA-N 1 2 286.379 1.854 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001320413837 959154989 /nfs/dbraw/zinc/15/49/89/959154989.db2.gz OTAUCAXQGWIQJQ-CABCVRRESA-N 1 2 286.379 1.854 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCc2ccccn2)C1 ZINC001370001346 959948285 /nfs/dbraw/zinc/94/82/85/959948285.db2.gz CGVZNQHIDCVEHD-AWEZNQCLSA-N 1 2 293.798 1.957 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCc2ccccn2)C1 ZINC001370001346 959948291 /nfs/dbraw/zinc/94/82/91/959948291.db2.gz CGVZNQHIDCVEHD-AWEZNQCLSA-N 1 2 293.798 1.957 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1c[nH]nc1C)C1CC1 ZINC001418765732 960997563 /nfs/dbraw/zinc/99/75/63/960997563.db2.gz IUJFIYAQOHDUDJ-UHFFFAOYSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1c[nH]nc1C)C1CC1 ZINC001418765732 960997574 /nfs/dbraw/zinc/99/75/74/960997574.db2.gz IUJFIYAQOHDUDJ-UHFFFAOYSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ncccc1O ZINC001420385634 962831174 /nfs/dbraw/zinc/83/11/74/962831174.db2.gz SJDBZPQIVZFWSX-UHFFFAOYSA-N 1 2 283.759 1.591 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ncccc1O ZINC001420385634 962831190 /nfs/dbraw/zinc/83/11/90/962831190.db2.gz SJDBZPQIVZFWSX-UHFFFAOYSA-N 1 2 283.759 1.591 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cn(CC)cn1 ZINC001437642060 963087489 /nfs/dbraw/zinc/08/74/89/963087489.db2.gz RLXMTEZGGGOLOV-UHFFFAOYSA-N 1 2 284.791 1.707 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cn(CC)cn1 ZINC001437642060 963087497 /nfs/dbraw/zinc/08/74/97/963087497.db2.gz RLXMTEZGGGOLOV-UHFFFAOYSA-N 1 2 284.791 1.707 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1nocc1C ZINC001420648596 963156966 /nfs/dbraw/zinc/15/69/66/963156966.db2.gz PPOPPMGQJNAHAK-JTQLQIEISA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1nocc1C ZINC001420648596 963156969 /nfs/dbraw/zinc/15/69/69/963156969.db2.gz PPOPPMGQJNAHAK-JTQLQIEISA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccn(C)n1 ZINC001445083698 966093143 /nfs/dbraw/zinc/09/31/43/966093143.db2.gz LVQJSZZWVBJMJW-UHFFFAOYSA-N 1 2 270.764 1.176 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccn(C)n1 ZINC001445083698 966093150 /nfs/dbraw/zinc/09/31/50/966093150.db2.gz LVQJSZZWVBJMJW-UHFFFAOYSA-N 1 2 270.764 1.176 20 30 CDEDLO Cc1nnn([NH+]=C[C@@H](C)CNC(=O)OC(C)(C)C)c1C ZINC001353079058 967676217 /nfs/dbraw/zinc/67/62/17/967676217.db2.gz UCUYKJXGZYJGTO-VIFPVBQESA-N 1 2 281.360 1.890 20 30 CDEDLO C=CCNC(=S)N1CCN(c2cc[nH+]c(OC)c2)CC1 ZINC001200292825 967858179 /nfs/dbraw/zinc/85/81/79/967858179.db2.gz KSTSVYQJPXRWRU-UHFFFAOYSA-N 1 2 292.408 1.273 20 30 CDEDLO N#CCC[N@H+](Cc1ccco1)C[C@H]1CCNC(=O)CC1 ZINC001413965522 969106455 /nfs/dbraw/zinc/10/64/55/969106455.db2.gz QWUGVYYWYRUQKO-CYBMUJFWSA-N 1 2 275.352 1.912 20 30 CDEDLO N#CCC[N@@H+](Cc1ccco1)C[C@H]1CCNC(=O)CC1 ZINC001413965522 969106461 /nfs/dbraw/zinc/10/64/61/969106461.db2.gz QWUGVYYWYRUQKO-CYBMUJFWSA-N 1 2 275.352 1.912 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](C)OCC(C)C ZINC001371928724 972695913 /nfs/dbraw/zinc/69/59/13/972695913.db2.gz ITNGXOSWUYDLHJ-LBPRGKRZSA-N 1 2 276.808 1.848 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](C)OCC(C)C ZINC001371928724 972695919 /nfs/dbraw/zinc/69/59/19/972695919.db2.gz ITNGXOSWUYDLHJ-LBPRGKRZSA-N 1 2 276.808 1.848 20 30 CDEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)CC ZINC001372480868 972970142 /nfs/dbraw/zinc/97/01/42/972970142.db2.gz OGVKUIWZELCOPD-SNVBAGLBSA-N 1 2 275.190 1.886 20 30 CDEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)CC ZINC001372480868 972970145 /nfs/dbraw/zinc/97/01/45/972970145.db2.gz OGVKUIWZELCOPD-SNVBAGLBSA-N 1 2 275.190 1.886 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1nn(CC)nc1C ZINC001418534052 973942245 /nfs/dbraw/zinc/94/22/45/973942245.db2.gz VMXJOWTXLSNGQA-UHFFFAOYSA-N 1 2 285.779 1.021 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1nn(CC)nc1C ZINC001418534052 973942252 /nfs/dbraw/zinc/94/22/52/973942252.db2.gz VMXJOWTXLSNGQA-UHFFFAOYSA-N 1 2 285.779 1.021 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCC(=O)NCC ZINC001374469737 973966831 /nfs/dbraw/zinc/96/68/31/973966831.db2.gz JCVUECGTYWQOOQ-UHFFFAOYSA-N 1 2 289.807 1.045 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCC(=O)NCC ZINC001374469737 973966839 /nfs/dbraw/zinc/96/68/39/973966839.db2.gz JCVUECGTYWQOOQ-UHFFFAOYSA-N 1 2 289.807 1.045 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1c(C)noc1C ZINC001377116947 974890513 /nfs/dbraw/zinc/89/05/13/974890513.db2.gz ITYLTFWFQGMTRW-UHFFFAOYSA-N 1 2 271.748 1.706 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1c(C)noc1C ZINC001377116947 974890521 /nfs/dbraw/zinc/89/05/21/974890521.db2.gz ITYLTFWFQGMTRW-UHFFFAOYSA-N 1 2 271.748 1.706 20 30 CDEDLO C=C(Cl)C[N@H+](CCC)CCNC(=O)c1ncccc1O ZINC001377481615 975045296 /nfs/dbraw/zinc/04/52/96/975045296.db2.gz ZHBRMZSHJSJABD-UHFFFAOYSA-N 1 2 297.786 1.982 20 30 CDEDLO C=C(Cl)C[N@@H+](CCC)CCNC(=O)c1ncccc1O ZINC001377481615 975045298 /nfs/dbraw/zinc/04/52/98/975045298.db2.gz ZHBRMZSHJSJABD-UHFFFAOYSA-N 1 2 297.786 1.982 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccnnc1)C1CC1 ZINC001377547464 975071111 /nfs/dbraw/zinc/07/11/11/975071111.db2.gz 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/nfs/dbraw/zinc/39/03/05/976390305.db2.gz RVUZQULHWBPJRM-UHFFFAOYSA-N 1 2 286.383 1.801 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C1=COCCC1 ZINC001403095974 976705717 /nfs/dbraw/zinc/70/57/17/976705717.db2.gz DKMWQCZIWJEPJL-LLVKDONJSA-N 1 2 272.776 1.870 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C1=COCCC1 ZINC001403095974 976705730 /nfs/dbraw/zinc/70/57/30/976705730.db2.gz DKMWQCZIWJEPJL-LLVKDONJSA-N 1 2 272.776 1.870 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnc2n1CCC2 ZINC001492967199 976747911 /nfs/dbraw/zinc/74/79/11/976747911.db2.gz HWMFPVBELNKYFG-UHFFFAOYSA-N 1 2 296.802 1.634 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnc2n1CCC2 ZINC001492967199 976747923 /nfs/dbraw/zinc/74/79/23/976747923.db2.gz HWMFPVBELNKYFG-UHFFFAOYSA-N 1 2 296.802 1.634 20 30 CDEDLO C=C(Cl)CN1CC([C@@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001403323542 976884623 /nfs/dbraw/zinc/88/46/23/976884623.db2.gz ILZDPMJDMOJSNN-LLVKDONJSA-N 1 2 296.802 1.152 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2cncn2C)C1 ZINC001403323542 976884631 /nfs/dbraw/zinc/88/46/31/976884631.db2.gz ILZDPMJDMOJSNN-LLVKDONJSA-N 1 2 296.802 1.152 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccnn1CC ZINC001403542940 977050943 /nfs/dbraw/zinc/05/09/43/977050943.db2.gz VOGWPUZRXOAUOA-UHFFFAOYSA-N 1 2 270.764 1.317 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccnn1CC ZINC001403542940 977050953 /nfs/dbraw/zinc/05/09/53/977050953.db2.gz VOGWPUZRXOAUOA-UHFFFAOYSA-N 1 2 270.764 1.317 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+]Cc1nonc1C ZINC001132302016 1163228778 /nfs/dbraw/zinc/22/87/78/1163228778.db2.gz LGVIPUFFPBGJCU-UHFFFAOYSA-N 1 2 266.345 1.186 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+][C@@H](C)c1nc(CC)no1 ZINC001133158086 1163587697 /nfs/dbraw/zinc/58/76/97/1163587697.db2.gz XMKBRHXSGSOCHK-NSHDSACASA-N 1 2 280.372 1.755 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[NH2+]Cc2csnn2)C1 ZINC001133569755 1163790777 /nfs/dbraw/zinc/79/07/77/1163790777.db2.gz AHKUUOWOGPSKED-UHFFFAOYSA-N 1 2 266.370 1.100 20 30 CDEDLO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000588213895 342494223 /nfs/dbraw/zinc/49/42/23/342494223.db2.gz YDQPDOCDNJZFQK-OAHLLOKOSA-N 1 2 288.347 1.631 20 30 CDEDLO COC(=O)C[C@@H]1COCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000588213895 342494224 /nfs/dbraw/zinc/49/42/24/342494224.db2.gz YDQPDOCDNJZFQK-OAHLLOKOSA-N 1 2 288.347 1.631 20 30 CDEDLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000589207415 342500279 /nfs/dbraw/zinc/50/02/79/342500279.db2.gz WJLJONNKHPAYRJ-GHMZBOCLSA-N 1 2 266.366 1.591 20 30 CDEDLO C[C@@H](O)C[C@@H]1COCC[N@H+]1Cc1ccc(C#N)s1 ZINC000589207415 342500280 /nfs/dbraw/zinc/50/02/80/342500280.db2.gz WJLJONNKHPAYRJ-GHMZBOCLSA-N 1 2 266.366 1.591 20 30 CDEDLO C[C@H]1CCN(C(=O)c2cccc(C#N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000589450858 342506028 /nfs/dbraw/zinc/50/60/28/342506028.db2.gz QNBJJGPPWIWSRZ-WFASDCNBSA-N 1 2 295.346 1.873 20 30 CDEDLO Cc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(C)c1 ZINC000589826982 342514927 /nfs/dbraw/zinc/51/49/27/342514927.db2.gz 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/nfs/dbraw/zinc/14/67/41/342146741.db2.gz LPIWPEGZRJYWNO-STQMWFEESA-N 1 2 298.346 1.727 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+](CCC)CC(=O)NCCC ZINC000052246753 342144630 /nfs/dbraw/zinc/14/46/30/342144630.db2.gz FFHCPBBCBMECJY-UHFFFAOYSA-N 1 2 295.427 1.425 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+](CCC)CC(=O)NCCC ZINC000052246753 342144631 /nfs/dbraw/zinc/14/46/31/342144631.db2.gz FFHCPBBCBMECJY-UHFFFAOYSA-N 1 2 295.427 1.425 20 30 CDEDLO Cc1cc(N[C@H]2CCN(C(=O)C3CC3)C[C@H]2C)c(C#N)c[nH+]1 ZINC000591821626 342647574 /nfs/dbraw/zinc/64/75/74/342647574.db2.gz GOTJLXBKVYZDDV-ABAIWWIYSA-N 1 2 298.390 1.743 20 30 CDEDLO CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147192 342673824 /nfs/dbraw/zinc/67/38/24/342673824.db2.gz JGDICDQRAJUKAK-INIZCTEOSA-N 1 2 295.427 1.477 20 30 CDEDLO CC(C)CN(CC(C)C)C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147192 342673825 /nfs/dbraw/zinc/67/38/25/342673825.db2.gz JGDICDQRAJUKAK-INIZCTEOSA-N 1 2 295.427 1.477 20 30 CDEDLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149707 342668568 /nfs/dbraw/zinc/66/85/68/342668568.db2.gz UVPWWGYGTSLWQJ-MEDUHNTESA-N 1 2 298.346 1.747 20 30 CDEDLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149707 342668569 /nfs/dbraw/zinc/66/85/69/342668569.db2.gz UVPWWGYGTSLWQJ-MEDUHNTESA-N 1 2 298.346 1.747 20 30 CDEDLO COC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151263 342668876 /nfs/dbraw/zinc/66/88/76/342668876.db2.gz LBWPTOHWMWYBQY-DZGCQCFKSA-N 1 2 274.320 1.251 20 30 CDEDLO COC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592151263 342668877 /nfs/dbraw/zinc/66/88/77/342668877.db2.gz LBWPTOHWMWYBQY-DZGCQCFKSA-N 1 2 274.320 1.251 20 30 CDEDLO C=CCCCCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000351654118 361842286 /nfs/dbraw/zinc/84/22/86/361842286.db2.gz AVFRYZDNUYKWHS-CYBMUJFWSA-N 1 2 269.389 1.363 20 30 CDEDLO C=CCCCCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000351654118 361842293 /nfs/dbraw/zinc/84/22/93/361842293.db2.gz 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265.382 1.988 20 30 CDEDLO C[N@@H+]1CCO[C@@H](C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000081366642 342367657 /nfs/dbraw/zinc/36/76/57/342367657.db2.gz GKERRCXVJZSOKQ-CQSZACIVSA-N 1 2 291.326 1.403 20 30 CDEDLO C[N@H+]1CCO[C@@H](C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000081366642 342367658 /nfs/dbraw/zinc/36/76/58/342367658.db2.gz GKERRCXVJZSOKQ-CQSZACIVSA-N 1 2 291.326 1.403 20 30 CDEDLO CCn1cc[nH+]c1CNc1nc(C#N)c(Cl)s1 ZINC000596251732 343274813 /nfs/dbraw/zinc/27/48/13/343274813.db2.gz XTBIBNSUYADMTN-UHFFFAOYSA-N 1 2 267.745 1.919 20 30 CDEDLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1cc(C#N)cs1 ZINC000092042488 342410127 /nfs/dbraw/zinc/41/01/27/342410127.db2.gz VYYOMPAUGYDXLI-ONGXEEELSA-N 1 2 252.339 1.201 20 30 CDEDLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1cc(C#N)cs1 ZINC000092042488 342410128 /nfs/dbraw/zinc/41/01/28/342410128.db2.gz VYYOMPAUGYDXLI-ONGXEEELSA-N 1 2 252.339 1.201 20 30 CDEDLO C[C@@H](C#N)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000596969261 343422109 /nfs/dbraw/zinc/42/21/09/343422109.db2.gz YFXBTQULIXNGQU-WCQYABFASA-N 1 2 268.320 1.960 20 30 CDEDLO CC(C)C[C@H](C#N)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000597075517 343439481 /nfs/dbraw/zinc/43/94/81/343439481.db2.gz VJMQNALXSPRVCA-VXGBXAGGSA-N 1 2 260.341 1.500 20 30 CDEDLO N#CCCN(Cc1ccco1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000597024966 343437694 /nfs/dbraw/zinc/43/76/94/343437694.db2.gz SWIVOJPMRDAUHL-ZDUSSCGKSA-N 1 2 298.346 1.981 20 30 CDEDLO Cn1cc([C@H]2C[N@H+](C[C@H](O)CC(C)(C)C#N)CCO2)cn1 ZINC000598592918 343838716 /nfs/dbraw/zinc/83/87/16/343838716.db2.gz NCTJOBSOJVELEP-ZIAGYGMSSA-N 1 2 292.383 1.094 20 30 CDEDLO Cn1cc([C@H]2C[N@@H+](C[C@H](O)CC(C)(C)C#N)CCO2)cn1 ZINC000598592918 343838717 /nfs/dbraw/zinc/83/87/17/343838717.db2.gz NCTJOBSOJVELEP-ZIAGYGMSSA-N 1 2 292.383 1.094 20 30 CDEDLO COC(=O)[C@](C)(CCF)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598628119 343848664 /nfs/dbraw/zinc/84/86/64/343848664.db2.gz MPDQXDXGVTVEGY-GWCFXTLKSA-N 1 2 274.336 1.168 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NCc1ccccc1 ZINC000049001216 260203032 /nfs/dbraw/zinc/20/30/32/260203032.db2.gz HHEZWYNPFPAGGI-OLZOCXBDSA-N 1 2 259.353 1.783 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NCc1ccccc1 ZINC000049001216 260203034 /nfs/dbraw/zinc/20/30/34/260203034.db2.gz HHEZWYNPFPAGGI-OLZOCXBDSA-N 1 2 259.353 1.783 20 30 CDEDLO N#Cc1csc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000598947099 343927147 /nfs/dbraw/zinc/92/71/47/343927147.db2.gz JYWACDDCVPXDQS-JTQLQIEISA-N 1 2 272.333 1.561 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000599621543 344097205 /nfs/dbraw/zinc/09/72/05/344097205.db2.gz ADRXGGCYVWIQRE-SECBINFHSA-N 1 2 275.299 1.118 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000599621543 344097206 /nfs/dbraw/zinc/09/72/06/344097206.db2.gz ADRXGGCYVWIQRE-SECBINFHSA-N 1 2 275.299 1.118 20 30 CDEDLO CCC(C#N)(CC)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000599991802 344160911 /nfs/dbraw/zinc/16/09/11/344160911.db2.gz KPMCJMPIWOTMCG-BETUJISGSA-N 1 2 279.384 1.296 20 30 CDEDLO CCC(C#N)(CC)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000599991802 344160912 /nfs/dbraw/zinc/16/09/12/344160912.db2.gz KPMCJMPIWOTMCG-BETUJISGSA-N 1 2 279.384 1.296 20 30 CDEDLO Cc1cn2ccc(C(=O)N[C@@H](C#N)C(C)C)cc2[nH+]1 ZINC000602095324 344344923 /nfs/dbraw/zinc/34/49/23/344344923.db2.gz AKXRVOWAVBBLLT-LBPRGKRZSA-N 1 2 256.309 1.921 20 30 CDEDLO C=CCC[C@@H]([NH2+]C[C@@]1(OC)CCOC1)C(=O)OCC ZINC000602679110 344527575 /nfs/dbraw/zinc/52/75/75/344527575.db2.gz BJZOJTBILUKYIX-OCCSQVGLSA-N 1 2 271.357 1.279 20 30 CDEDLO Cc1nc(NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N)sc1C ZINC000602868199 344639476 /nfs/dbraw/zinc/63/94/76/344639476.db2.gz HTNUCBSESUXPCY-IONNQARKSA-N 1 2 266.370 1.979 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCCc1cccc2cccnc21 ZINC000602869102 344639988 /nfs/dbraw/zinc/63/99/88/344639988.db2.gz MGKZRVMBAZPHNZ-CYBMUJFWSA-N 1 2 296.374 1.785 20 30 CDEDLO CC[N@@H+](CC(=O)NCc1ccccc1F)C[C@@H](C)C#N ZINC000049982476 344977467 /nfs/dbraw/zinc/97/74/67/344977467.db2.gz RLFISKWEZJWFRX-LBPRGKRZSA-N 1 2 277.343 1.923 20 30 CDEDLO CC[N@H+](CC(=O)NCc1ccccc1F)C[C@@H](C)C#N ZINC000049982476 344977470 /nfs/dbraw/zinc/97/74/70/344977470.db2.gz RLFISKWEZJWFRX-LBPRGKRZSA-N 1 2 277.343 1.923 20 30 CDEDLO C=CCNC(=O)[C@@H](C)N1CC[NH+](Cc2ccsc2)CC1 ZINC000052711972 345301652 /nfs/dbraw/zinc/30/16/52/345301652.db2.gz UYFHGJXYDWRKDX-CYBMUJFWSA-N 1 2 293.436 1.556 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccsc2)CC1 ZINC000052711972 345301655 /nfs/dbraw/zinc/30/16/55/345301655.db2.gz UYFHGJXYDWRKDX-CYBMUJFWSA-N 1 2 293.436 1.556 20 30 CDEDLO COc1cc[nH+]cc1CSc1nnc(CC#N)n1C ZINC000286450085 345412940 /nfs/dbraw/zinc/41/29/40/345412940.db2.gz IMJAMTYXWZIORT-UHFFFAOYSA-N 1 2 275.337 1.577 20 30 CDEDLO C[C@H]([C@H](C)[N@H+](C)Cc1ccc(C#N)cn1)S(C)(=O)=O ZINC000618904175 345445216 /nfs/dbraw/zinc/44/52/16/345445216.db2.gz UQVOPDICBFYJGV-WDEREUQCSA-N 1 2 281.381 1.207 20 30 CDEDLO C[C@H]([C@H](C)[N@@H+](C)Cc1ccc(C#N)cn1)S(C)(=O)=O ZINC000618904175 345445219 /nfs/dbraw/zinc/44/52/19/345445219.db2.gz UQVOPDICBFYJGV-WDEREUQCSA-N 1 2 281.381 1.207 20 30 CDEDLO CS(=O)(=O)[C@H]1CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000383504950 345633794 /nfs/dbraw/zinc/63/37/94/345633794.db2.gz FWGKRHCGJUHLHU-NSHDSACASA-N 1 2 256.371 1.189 20 30 CDEDLO CS(=O)(=O)[C@H]1CCC[N@@H+](CC2(CC#N)CC2)C1 ZINC000383504950 345633797 /nfs/dbraw/zinc/63/37/97/345633797.db2.gz FWGKRHCGJUHLHU-NSHDSACASA-N 1 2 256.371 1.189 20 30 CDEDLO N#CCCC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000399410206 346057841 /nfs/dbraw/zinc/05/78/41/346057841.db2.gz QYAKGHZHZAAYGX-UHFFFAOYSA-N 1 2 260.341 1.816 20 30 CDEDLO C=CCNC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367259656 346094514 /nfs/dbraw/zinc/09/45/14/346094514.db2.gz JJCRRGXXRBAFHX-UHFFFAOYSA-N 1 2 284.363 1.241 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CCCC#N)CCO1 ZINC000610452995 346284486 /nfs/dbraw/zinc/28/44/86/346284486.db2.gz YFEZFBBUSFTUSD-NSHDSACASA-N 1 2 254.330 1.333 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCCC#N)CCO1 ZINC000610452995 346284487 /nfs/dbraw/zinc/28/44/87/346284487.db2.gz YFEZFBBUSFTUSD-NSHDSACASA-N 1 2 254.330 1.333 20 30 CDEDLO Cn1ncc2c1nc[nH+]c2N1CCC(CC#N)CC1 ZINC000543791141 348276819 /nfs/dbraw/zinc/27/68/19/348276819.db2.gz CFCULAQUUWXANB-UHFFFAOYSA-N 1 2 256.313 1.493 20 30 CDEDLO N#Cc1ccsc1NC(=O)CC[NH+]1CCOCC1 ZINC000024165098 348545961 /nfs/dbraw/zinc/54/59/61/348545961.db2.gz MOUCQDBQGVQFJW-UHFFFAOYSA-N 1 2 265.338 1.281 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615535207 348578096 /nfs/dbraw/zinc/57/80/96/348578096.db2.gz MFTKHFNMLJLZAQ-AWEZNQCLSA-N 1 2 280.412 1.912 20 30 CDEDLO C#CCN(CC)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000056745548 348822714 /nfs/dbraw/zinc/82/27/14/348822714.db2.gz YHAINYKEJZBHFB-UHFFFAOYSA-N 1 2 270.336 1.807 20 30 CDEDLO CCCc1nc(CO[NH+]=C(N)c2ccc(OC)cc2)no1 ZINC000067098301 349013659 /nfs/dbraw/zinc/01/36/59/349013659.db2.gz DUYLZNFWIDIOEY-UHFFFAOYSA-N 1 2 290.323 1.868 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)CSC(F)(F)F)CC1 ZINC000068444636 349066729 /nfs/dbraw/zinc/06/67/29/349066729.db2.gz YOQKSXMFECORAZ-UHFFFAOYSA-N 1 2 280.315 1.407 20 30 CDEDLO CCCNC(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000070788987 349114921 /nfs/dbraw/zinc/11/49/21/349114921.db2.gz FECFRORMNOEGMD-UHFFFAOYSA-N 1 2 286.379 1.206 20 30 CDEDLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602595515 350130551 /nfs/dbraw/zinc/13/05/51/350130551.db2.gz BWYXLDNXWLQOCU-AWEZNQCLSA-N 1 2 273.336 1.871 20 30 CDEDLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602595515 350130555 /nfs/dbraw/zinc/13/05/55/350130555.db2.gz BWYXLDNXWLQOCU-AWEZNQCLSA-N 1 2 273.336 1.871 20 30 CDEDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2cccc(C#N)n2)CC1 ZINC000602650634 350138868 /nfs/dbraw/zinc/13/88/68/350138868.db2.gz DXGDWAVATUXONJ-AWEZNQCLSA-N 1 2 293.392 1.352 20 30 CDEDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cccc(C#N)n2)CC1 ZINC000602650634 350138869 /nfs/dbraw/zinc/13/88/69/350138869.db2.gz DXGDWAVATUXONJ-AWEZNQCLSA-N 1 2 293.392 1.352 20 30 CDEDLO Cc1n[nH]cc1C[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000602937368 350167012 /nfs/dbraw/zinc/16/70/12/350167012.db2.gz JIQGAGXSFYNSAZ-UHFFFAOYSA-N 1 2 297.362 1.338 20 30 CDEDLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000602937368 350167017 /nfs/dbraw/zinc/16/70/17/350167017.db2.gz JIQGAGXSFYNSAZ-UHFFFAOYSA-N 1 2 297.362 1.338 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091891574 180281048 /nfs/dbraw/zinc/28/10/48/180281048.db2.gz GNJGCGADLIZKAU-NSHDSACASA-N 1 2 262.328 1.875 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCc2cc(F)ccc2C1 ZINC000091891574 180281050 /nfs/dbraw/zinc/28/10/50/180281050.db2.gz GNJGCGADLIZKAU-NSHDSACASA-N 1 2 262.328 1.875 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCN(C(N)=O)CC1 ZINC000123006104 187065480 /nfs/dbraw/zinc/06/54/80/187065480.db2.gz OBCKSSPHQJTJBZ-UHFFFAOYSA-N 1 2 276.315 1.284 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCN(C(N)=O)CC1 ZINC000123006104 187065481 /nfs/dbraw/zinc/06/54/81/187065481.db2.gz OBCKSSPHQJTJBZ-UHFFFAOYSA-N 1 2 276.315 1.284 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(C#N)CC1)C1CC1 ZINC000142102486 358469627 /nfs/dbraw/zinc/46/96/27/358469627.db2.gz SZRYZFZJNCIZHE-AWEZNQCLSA-N 1 2 260.341 1.030 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@H](C)c1c(F)cccc1F ZINC000271647689 191258732 /nfs/dbraw/zinc/25/87/32/191258732.db2.gz DPRLPPSQKLZWTJ-SECBINFHSA-N 1 2 254.280 1.918 20 30 CDEDLO Cc1nc(NC[C@@H]2C[NH+]3CCN2CC3)c(Cl)cc1C#N ZINC000292352596 198255463 /nfs/dbraw/zinc/25/54/63/198255463.db2.gz CECFAXAWEYXTJD-GFCCVEGCSA-N 1 2 291.786 1.327 20 30 CDEDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000157135764 188299355 /nfs/dbraw/zinc/29/93/55/188299355.db2.gz AWADOQLZFILWIG-HNNXBMFYSA-N 1 2 297.362 1.903 20 30 CDEDLO Cn1cnnc1[C@@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000157135764 188299356 /nfs/dbraw/zinc/29/93/56/188299356.db2.gz AWADOQLZFILWIG-HNNXBMFYSA-N 1 2 297.362 1.903 20 30 CDEDLO C=CCOCC[NH+]1CCN(c2nc(CC)ns2)CC1 ZINC000292682277 198374845 /nfs/dbraw/zinc/37/48/45/198374845.db2.gz BXRRIUMCKZIOLL-UHFFFAOYSA-N 1 2 282.413 1.425 20 30 CDEDLO Cc1ccn2cc(CNC(=O)[C@@]3(C#N)C[C@@H]3C)[nH+]c2c1 ZINC000336248229 363228479 /nfs/dbraw/zinc/22/84/79/363228479.db2.gz YCUPFQRLBBOKLN-XHDPSFHLSA-N 1 2 268.320 1.809 20 30 CDEDLO N#CC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000057880488 283050384 /nfs/dbraw/zinc/05/03/84/283050384.db2.gz MBZQREVTXLXOBC-UHFFFAOYSA-N 1 2 288.307 1.429 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCNC(=O)[C@@]1(C)CCC ZINC000187342181 356157277 /nfs/dbraw/zinc/15/72/77/356157277.db2.gz XLEGDEOACBUGKB-MRXNPFEDSA-N 1 2 293.411 1.178 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCNC(=O)[C@@]1(C)CCC ZINC000187342181 356157279 /nfs/dbraw/zinc/15/72/79/356157279.db2.gz XLEGDEOACBUGKB-MRXNPFEDSA-N 1 2 293.411 1.178 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000374560124 283140885 /nfs/dbraw/zinc/14/08/85/283140885.db2.gz OEBCJWCWYSYUHX-ZDUSSCGKSA-N 1 2 257.293 1.195 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000374560124 283140887 /nfs/dbraw/zinc/14/08/87/283140887.db2.gz OEBCJWCWYSYUHX-ZDUSSCGKSA-N 1 2 257.293 1.195 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Cl)ccc1OC ZINC000127193420 356151339 /nfs/dbraw/zinc/15/13/39/356151339.db2.gz FNZQRUXKCPQAKN-LLVKDONJSA-N 1 2 294.782 1.918 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1cc(Cl)ccc1OC ZINC000127193420 356151342 /nfs/dbraw/zinc/15/13/42/356151342.db2.gz FNZQRUXKCPQAKN-LLVKDONJSA-N 1 2 294.782 1.918 20 30 CDEDLO CC[N@H+](CC(=O)N[C@H]1CCCS(=O)(=O)C1)C1CC1 ZINC000328960066 538443827 /nfs/dbraw/zinc/44/38/27/538443827.db2.gz PITNDYQAOQUWSL-JTQLQIEISA-N 1 2 274.386 1.004 20 30 CDEDLO CC[N@@H+](CC(=O)N[C@H]1CCCS(=O)(=O)C1)C1CC1 ZINC000328960066 538443829 /nfs/dbraw/zinc/44/38/29/538443829.db2.gz PITNDYQAOQUWSL-JTQLQIEISA-N 1 2 274.386 1.004 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1CCC(=O)NC1 ZINC000328925642 538443234 /nfs/dbraw/zinc/44/32/34/538443234.db2.gz OIYBFHNYABGEJZ-NSHDSACASA-N 1 2 283.372 1.420 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1CCC(=O)NC1 ZINC000328925642 538443235 /nfs/dbraw/zinc/44/32/35/538443235.db2.gz OIYBFHNYABGEJZ-NSHDSACASA-N 1 2 283.372 1.420 20 30 CDEDLO N#Cc1ccnc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000329554187 283219843 /nfs/dbraw/zinc/21/98/43/283219843.db2.gz PXWURYLKBNXWNJ-UHFFFAOYSA-N 1 2 281.319 1.696 20 30 CDEDLO N#Cc1ccnc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000329554187 283219844 /nfs/dbraw/zinc/21/98/44/283219844.db2.gz PXWURYLKBNXWNJ-UHFFFAOYSA-N 1 2 281.319 1.696 20 30 CDEDLO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000048577322 356955954 /nfs/dbraw/zinc/95/59/54/356955954.db2.gz NDPSMYYMCMJKEM-CQSZACIVSA-N 1 2 275.327 1.798 20 30 CDEDLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000048577322 356955957 /nfs/dbraw/zinc/95/59/57/356955957.db2.gz NDPSMYYMCMJKEM-CQSZACIVSA-N 1 2 275.327 1.798 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000299248063 357000538 /nfs/dbraw/zinc/00/05/38/357000538.db2.gz KNIXYKYXUFJQQY-LSDHHAIUSA-N 1 2 298.386 1.829 20 30 CDEDLO C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000185113337 357510421 /nfs/dbraw/zinc/51/04/21/357510421.db2.gz BUDHSGGJEWIDKM-AYLIAGHASA-N 1 2 299.421 1.257 20 30 CDEDLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000185113337 357510425 /nfs/dbraw/zinc/51/04/25/357510425.db2.gz BUDHSGGJEWIDKM-AYLIAGHASA-N 1 2 299.421 1.257 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@](F)(CO)C2)c1 ZINC000287086157 358094434 /nfs/dbraw/zinc/09/44/34/358094434.db2.gz VRRUOHMPNOWEJT-AWEZNQCLSA-N 1 2 266.291 1.994 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@](F)(CO)C2)c1 ZINC000287086157 358094436 /nfs/dbraw/zinc/09/44/36/358094436.db2.gz VRRUOHMPNOWEJT-AWEZNQCLSA-N 1 2 266.291 1.994 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1cncs1 ZINC000493482298 366401640 /nfs/dbraw/zinc/40/16/40/366401640.db2.gz NFEIQAJALLHHTP-RXNFCKPNSA-N 1 2 264.354 1.116 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2nccn2-c2ccccc2)C1 ZINC000592152826 358588306 /nfs/dbraw/zinc/58/83/06/358588306.db2.gz FGELJTICGCSLIR-MRXNPFEDSA-N 1 2 282.347 1.723 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2nccn2-c2ccccc2)C1 ZINC000592152826 358588308 /nfs/dbraw/zinc/58/83/08/358588308.db2.gz FGELJTICGCSLIR-MRXNPFEDSA-N 1 2 282.347 1.723 20 30 CDEDLO COC(=O)C[N@H+](CCOc1cccc(C#N)c1)C(C)C ZINC000098142807 358664075 /nfs/dbraw/zinc/66/40/75/358664075.db2.gz NBQMEQYOLVTVRR-UHFFFAOYSA-N 1 2 276.336 1.820 20 30 CDEDLO COC(=O)C[N@@H+](CCOc1cccc(C#N)c1)C(C)C ZINC000098142807 358664080 /nfs/dbraw/zinc/66/40/80/358664080.db2.gz NBQMEQYOLVTVRR-UHFFFAOYSA-N 1 2 276.336 1.820 20 30 CDEDLO COCC[N@H+](Cc1cn(C)nn1)Cc1ccc(C#N)cc1 ZINC000341604773 358679485 /nfs/dbraw/zinc/67/94/85/358679485.db2.gz ONKFTCUKZQAAIM-UHFFFAOYSA-N 1 2 285.351 1.335 20 30 CDEDLO COCC[N@@H+](Cc1cn(C)nn1)Cc1ccc(C#N)cc1 ZINC000341604773 358679492 /nfs/dbraw/zinc/67/94/92/358679492.db2.gz ONKFTCUKZQAAIM-UHFFFAOYSA-N 1 2 285.351 1.335 20 30 CDEDLO COCC[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000291306394 358919721 /nfs/dbraw/zinc/91/97/21/358919721.db2.gz REAFZVBEUSZWTD-AWEZNQCLSA-N 1 2 278.327 1.935 20 30 CDEDLO COCC[C@H]1COCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000291306394 358919726 /nfs/dbraw/zinc/91/97/26/358919726.db2.gz REAFZVBEUSZWTD-AWEZNQCLSA-N 1 2 278.327 1.935 20 30 CDEDLO N#Cc1c(Cl)cccc1NCC[NH+]1CCOCC1 ZINC000048935418 359182120 /nfs/dbraw/zinc/18/21/20/359182120.db2.gz HPIGFLAEYICBRI-UHFFFAOYSA-N 1 2 265.744 1.956 20 30 CDEDLO Cc1nsc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c1C#N ZINC000287925193 359139355 /nfs/dbraw/zinc/13/93/55/359139355.db2.gz PFFXQONTBRYIDA-GXSJLCMTSA-N 1 2 280.397 1.844 20 30 CDEDLO C=C(Cl)CNC(=O)NCCCNc1cccc[nH+]1 ZINC000265469344 359329178 /nfs/dbraw/zinc/32/91/78/359329178.db2.gz JQSIWQUBXVTLNP-UHFFFAOYSA-N 1 2 268.748 1.935 20 30 CDEDLO O=C(C#Cc1ccccc1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000267079707 359347804 /nfs/dbraw/zinc/34/78/04/359347804.db2.gz IYFOZFVSACYFBT-QGZVFWFLSA-N 1 2 298.386 1.361 20 30 CDEDLO C[C@H]1[N@H+](CC(=O)Nc2ccc(C#N)cc2)CCOC1(C)C ZINC000331060070 291178599 /nfs/dbraw/zinc/17/85/99/291178599.db2.gz SSUTVHNVJNRBEE-GFCCVEGCSA-N 1 2 287.363 1.996 20 30 CDEDLO C[C@H]1[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CCOC1(C)C ZINC000331060070 291178603 /nfs/dbraw/zinc/17/86/03/291178603.db2.gz SSUTVHNVJNRBEE-GFCCVEGCSA-N 1 2 287.363 1.996 20 30 CDEDLO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N)n1 ZINC000348570712 360414875 /nfs/dbraw/zinc/41/48/75/360414875.db2.gz MHRGEPRAPSQJLG-ZDUSSCGKSA-N 1 2 274.368 1.582 20 30 CDEDLO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N)n1 ZINC000348570712 360414879 /nfs/dbraw/zinc/41/48/79/360414879.db2.gz MHRGEPRAPSQJLG-ZDUSSCGKSA-N 1 2 274.368 1.582 20 30 CDEDLO CCOc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000516071125 360557561 /nfs/dbraw/zinc/55/75/61/360557561.db2.gz DDVAHYBQXKNIAO-HNNXBMFYSA-N 1 2 275.352 1.659 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000178595221 189129936 /nfs/dbraw/zinc/12/99/36/189129936.db2.gz RUAINAJCXIARIG-UHFFFAOYSA-N 1 2 272.348 1.940 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000178595221 189129937 /nfs/dbraw/zinc/12/99/37/189129937.db2.gz RUAINAJCXIARIG-UHFFFAOYSA-N 1 2 272.348 1.940 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC000246022072 360778944 /nfs/dbraw/zinc/77/89/44/360778944.db2.gz NQWNOUKBEQPGIO-HOTGVXAUSA-N 1 2 289.375 1.913 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC000246022072 360778948 /nfs/dbraw/zinc/77/89/48/360778948.db2.gz NQWNOUKBEQPGIO-HOTGVXAUSA-N 1 2 289.375 1.913 20 30 CDEDLO CC#CC[N@@H+](CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000157355017 360819655 /nfs/dbraw/zinc/81/96/55/360819655.db2.gz XVSPRTMLKFDBRF-UHFFFAOYSA-N 1 2 255.321 1.768 20 30 CDEDLO CC#CC[N@H+](CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000157355017 360819657 /nfs/dbraw/zinc/81/96/57/360819657.db2.gz XVSPRTMLKFDBRF-UHFFFAOYSA-N 1 2 255.321 1.768 20 30 CDEDLO CC[N@H+](CCOC)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000148118775 360835605 /nfs/dbraw/zinc/83/56/05/360835605.db2.gz SRZBYZLKLOIIGC-UHFFFAOYSA-N 1 2 296.392 1.300 20 30 CDEDLO CC[N@@H+](CCOC)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000148118775 360835607 /nfs/dbraw/zinc/83/56/07/360835607.db2.gz SRZBYZLKLOIIGC-UHFFFAOYSA-N 1 2 296.392 1.300 20 30 CDEDLO CC#CC[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000157481859 360885206 /nfs/dbraw/zinc/88/52/06/360885206.db2.gz QQHQZVGSIJPGFK-HZPDHXFCSA-N 1 2 291.439 1.132 20 30 CDEDLO CC#CCN1CC[NH+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000157481859 360885208 /nfs/dbraw/zinc/88/52/08/360885208.db2.gz QQHQZVGSIJPGFK-HZPDHXFCSA-N 1 2 291.439 1.132 20 30 CDEDLO C=CCOCCCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000571055082 361037654 /nfs/dbraw/zinc/03/76/54/361037654.db2.gz WAMDXGXQGHMHAK-UHFFFAOYSA-N 1 2 251.330 1.744 20 30 CDEDLO CC#CCC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1C ZINC000158114493 361118997 /nfs/dbraw/zinc/11/89/97/361118997.db2.gz MRUVJRMGGYRTRV-HNNXBMFYSA-N 1 2 256.349 1.881 20 30 CDEDLO CC#CCC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1C ZINC000158114493 361119001 /nfs/dbraw/zinc/11/90/01/361119001.db2.gz MRUVJRMGGYRTRV-HNNXBMFYSA-N 1 2 256.349 1.881 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000496407620 366809693 /nfs/dbraw/zinc/80/96/93/366809693.db2.gz VIOSYEMHUJLKLH-CHWSQXEVSA-N 1 2 278.356 1.593 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000496407620 366809696 /nfs/dbraw/zinc/80/96/96/366809696.db2.gz VIOSYEMHUJLKLH-CHWSQXEVSA-N 1 2 278.356 1.593 20 30 CDEDLO CCCc1nc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)co1 ZINC000570635748 363838505 /nfs/dbraw/zinc/83/85/05/363838505.db2.gz UZVAIUFYNHTYGB-ZDUSSCGKSA-N 1 2 264.329 1.201 20 30 CDEDLO C[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000340916705 364092201 /nfs/dbraw/zinc/09/22/01/364092201.db2.gz ALLLPXMOZHNISM-BXKDBHETSA-N 1 2 293.754 1.605 20 30 CDEDLO C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000340916705 364092208 /nfs/dbraw/zinc/09/22/08/364092208.db2.gz ALLLPXMOZHNISM-BXKDBHETSA-N 1 2 293.754 1.605 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000374556146 370724747 /nfs/dbraw/zinc/72/47/47/370724747.db2.gz JHWJQGFYWWNDCC-CJNGLKHVSA-N 1 2 274.339 1.695 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000374556146 370724754 /nfs/dbraw/zinc/72/47/54/370724754.db2.gz JHWJQGFYWWNDCC-CJNGLKHVSA-N 1 2 274.339 1.695 20 30 CDEDLO CCC[N@H+](CC(=O)N(C)C)Cc1ccc(C#N)cc1F ZINC000042267649 364551063 /nfs/dbraw/zinc/55/10/63/364551063.db2.gz HKKBQASZRYKTBL-UHFFFAOYSA-N 1 2 277.343 1.998 20 30 CDEDLO CCC[N@@H+](CC(=O)N(C)C)Cc1ccc(C#N)cc1F ZINC000042267649 364551069 /nfs/dbraw/zinc/55/10/69/364551069.db2.gz HKKBQASZRYKTBL-UHFFFAOYSA-N 1 2 277.343 1.998 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)NC2CCCC2)nn1 ZINC000640805117 364661207 /nfs/dbraw/zinc/66/12/07/364661207.db2.gz OQKKESFMGQTJRX-GFCCVEGCSA-N 1 2 289.383 1.011 20 30 CDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCC(F)(F)F ZINC000268350608 364750877 /nfs/dbraw/zinc/75/08/77/364750877.db2.gz RJCJFJVNVSEMML-JTQLQIEISA-N 1 2 299.300 1.811 20 30 CDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCC(F)(F)F ZINC000268350608 364750880 /nfs/dbraw/zinc/75/08/80/364750880.db2.gz RJCJFJVNVSEMML-JTQLQIEISA-N 1 2 299.300 1.811 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000122324641 370792080 /nfs/dbraw/zinc/79/20/80/370792080.db2.gz OGWRNMCGDFCXBX-UHFFFAOYSA-N 1 2 288.351 1.058 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000122324641 370792084 /nfs/dbraw/zinc/79/20/84/370792084.db2.gz OGWRNMCGDFCXBX-UHFFFAOYSA-N 1 2 288.351 1.058 20 30 CDEDLO N#Cc1cccc(C[NH+]2CC(NC(=O)C3CCC3)C2)c1 ZINC000275178419 366944638 /nfs/dbraw/zinc/94/46/38/366944638.db2.gz AAUGCLYLNJPKIM-UHFFFAOYSA-N 1 2 269.348 1.659 20 30 CDEDLO C[NH2+]Cc1noc(C2(c3cc(F)cc(C#N)c3)CC2)n1 ZINC000414639092 241289799 /nfs/dbraw/zinc/28/97/99/241289799.db2.gz GBNVJVXKHYGSIE-UHFFFAOYSA-N 1 2 272.283 1.880 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000219366912 367266958 /nfs/dbraw/zinc/26/69/58/367266958.db2.gz UVNQEMSWSKNBQT-GXTWGEPZSA-N 1 2 273.336 1.389 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000219366912 367266971 /nfs/dbraw/zinc/26/69/71/367266971.db2.gz UVNQEMSWSKNBQT-GXTWGEPZSA-N 1 2 273.336 1.389 20 30 CDEDLO C=CCOCCCn1c2ccccc2[nH+]c1NCCO ZINC000358590164 367796889 /nfs/dbraw/zinc/79/68/89/367796889.db2.gz ZNZXUBVEWKXBKW-UHFFFAOYSA-N 1 2 275.352 1.455 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000375711338 370926025 /nfs/dbraw/zinc/92/60/25/370926025.db2.gz MHXVGDQDCBXZTP-GFCCVEGCSA-N 1 2 299.396 1.061 20 30 CDEDLO CC#CCCNC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000361422690 368812633 /nfs/dbraw/zinc/81/26/33/368812633.db2.gz ODUOXZUIAGVGFZ-UHFFFAOYSA-N 1 2 270.336 1.855 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCCOC(C)(C)C)nn1 ZINC000630610245 369394953 /nfs/dbraw/zinc/39/49/53/369394953.db2.gz ZMPSTRSYYUMUIZ-UHFFFAOYSA-N 1 2 264.373 1.596 20 30 CDEDLO C[C@@H](C#N)n1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000369137260 369695600 /nfs/dbraw/zinc/69/56/00/369695600.db2.gz LUOLWOXGXYKZPE-JSGCOSHPSA-N 1 2 298.350 1.331 20 30 CDEDLO C[C@@H](C#N)n1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000369137260 369695607 /nfs/dbraw/zinc/69/56/07/369695607.db2.gz LUOLWOXGXYKZPE-JSGCOSHPSA-N 1 2 298.350 1.331 20 30 CDEDLO C=CCOc1cccc(NC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000567702601 371109371 /nfs/dbraw/zinc/10/93/71/371109371.db2.gz BXIPPPBJFYEOTO-HNNXBMFYSA-N 1 2 289.379 1.870 20 30 CDEDLO C=CCOc1cccc(NC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000567702601 371109375 /nfs/dbraw/zinc/10/93/75/371109375.db2.gz BXIPPPBJFYEOTO-HNNXBMFYSA-N 1 2 289.379 1.870 20 30 CDEDLO C#CC[N@@H+](CCCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000157180538 371151984 /nfs/dbraw/zinc/15/19/84/371151984.db2.gz GLAGMTPCEWKSOL-NSHDSACASA-N 1 2 297.342 1.841 20 30 CDEDLO C#CC[N@H+](CCCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000157180538 371151989 /nfs/dbraw/zinc/15/19/89/371151989.db2.gz GLAGMTPCEWKSOL-NSHDSACASA-N 1 2 297.342 1.841 20 30 CDEDLO CN(Cc1c[nH+]c[nH]1)S(=O)(=O)CCC(C)(C)C#N ZINC000568901908 371233363 /nfs/dbraw/zinc/23/33/63/371233363.db2.gz NFARMFUUVCBZNN-UHFFFAOYSA-N 1 2 270.358 1.111 20 30 CDEDLO CN(Cc1c[nH]c[nH+]1)S(=O)(=O)CCC(C)(C)C#N ZINC000568901908 371233371 /nfs/dbraw/zinc/23/33/71/371233371.db2.gz NFARMFUUVCBZNN-UHFFFAOYSA-N 1 2 270.358 1.111 20 30 CDEDLO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000347441558 371333655 /nfs/dbraw/zinc/33/36/55/371333655.db2.gz DLFDCTNBQXOXEH-CQSZACIVSA-N 1 2 274.320 1.322 20 30 CDEDLO COC(=O)C[C@@H]1COCC[N@H+]1Cc1cccc(C#N)c1 ZINC000347441558 371333659 /nfs/dbraw/zinc/33/36/59/371333659.db2.gz DLFDCTNBQXOXEH-CQSZACIVSA-N 1 2 274.320 1.322 20 30 CDEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cc(C)no1 ZINC000579489595 372578371 /nfs/dbraw/zinc/57/83/71/372578371.db2.gz AFVNSRSKHNNVAI-ZJUUUORDSA-N 1 2 250.302 1.592 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(CCC)C(=O)C1 ZINC000189416174 373284662 /nfs/dbraw/zinc/28/46/62/373284662.db2.gz GBCVYGHRICBQLD-UHFFFAOYSA-N 1 2 295.427 1.355 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(CCC)C(=O)C1 ZINC000189416174 373284671 /nfs/dbraw/zinc/28/46/71/373284671.db2.gz GBCVYGHRICBQLD-UHFFFAOYSA-N 1 2 295.427 1.355 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000341492663 373707628 /nfs/dbraw/zinc/70/76/28/373707628.db2.gz MCTXUDJSRSKADG-ZIAGYGMSSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000341492663 373707632 /nfs/dbraw/zinc/70/76/32/373707632.db2.gz MCTXUDJSRSKADG-ZIAGYGMSSA-N 1 2 283.416 1.751 20 30 CDEDLO N#Cc1ncccc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000274130489 374131794 /nfs/dbraw/zinc/13/17/94/374131794.db2.gz WETVKVTZCHTWTG-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000660144004 412817104 /nfs/dbraw/zinc/81/71/04/412817104.db2.gz LNPZERIRQPJRAV-LBPRGKRZSA-N 1 2 264.373 1.655 20 30 CDEDLO CCOC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000528723144 374454358 /nfs/dbraw/zinc/45/43/58/374454358.db2.gz ISUPEILKIWMAQF-HNNXBMFYSA-N 1 2 260.337 1.796 20 30 CDEDLO CCOC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000528723144 374454365 /nfs/dbraw/zinc/45/43/65/374454365.db2.gz ISUPEILKIWMAQF-HNNXBMFYSA-N 1 2 260.337 1.796 20 30 CDEDLO CCC[N@H+](CC(N)=O)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000429125503 374569440 /nfs/dbraw/zinc/56/94/40/374569440.db2.gz FDCFRGKEBARDGG-UHFFFAOYSA-N 1 2 299.334 1.306 20 30 CDEDLO CCC[N@@H+](CC(N)=O)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000429125503 374569443 /nfs/dbraw/zinc/56/94/43/374569443.db2.gz FDCFRGKEBARDGG-UHFFFAOYSA-N 1 2 299.334 1.306 20 30 CDEDLO Cc1ccc(C(=O)N2CCn3c[nH+]cc3C2)cc1C#N ZINC000378124070 374633879 /nfs/dbraw/zinc/63/38/79/374633879.db2.gz VITRXNADWYMBIE-UHFFFAOYSA-N 1 2 266.304 1.719 20 30 CDEDLO N#Cc1ccc(C[NH+]2CC(NC(=O)C3CCC3)C2)cc1 ZINC000275190621 374691933 /nfs/dbraw/zinc/69/19/33/374691933.db2.gz CYSJAZKBRNZLLM-UHFFFAOYSA-N 1 2 269.348 1.659 20 30 CDEDLO CCOCC[N@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000093313759 374741895 /nfs/dbraw/zinc/74/18/95/374741895.db2.gz AYYYVRJASUUGCJ-UHFFFAOYSA-N 1 2 279.340 1.675 20 30 CDEDLO CCOCC[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000093313759 374741899 /nfs/dbraw/zinc/74/18/99/374741899.db2.gz AYYYVRJASUUGCJ-UHFFFAOYSA-N 1 2 279.340 1.675 20 30 CDEDLO CC(C)[C@@H](NC(=O)c1cc(C#N)c[nH]1)c1[nH]cc[nH+]1 ZINC000277716829 374805697 /nfs/dbraw/zinc/80/56/97/374805697.db2.gz SFLGHUYHTRLNIK-LLVKDONJSA-N 1 2 257.297 1.737 20 30 CDEDLO C[N@H+](Cc1ccc(Cl)cc1C#N)[C@]1(CO)CCOC1 ZINC000331102816 374887510 /nfs/dbraw/zinc/88/75/10/374887510.db2.gz DWXFTZWORARPQM-AWEZNQCLSA-N 1 2 280.755 1.795 20 30 CDEDLO C[N@@H+](Cc1ccc(Cl)cc1C#N)[C@]1(CO)CCOC1 ZINC000331102816 374887520 /nfs/dbraw/zinc/88/75/20/374887520.db2.gz DWXFTZWORARPQM-AWEZNQCLSA-N 1 2 280.755 1.795 20 30 CDEDLO CC[N@H+](Cc1ccc(F)cc1C#N)[C@H]1CCNC1=O ZINC000331292039 374923423 /nfs/dbraw/zinc/92/34/23/374923423.db2.gz KTCMCRFZKVUVCF-ZDUSSCGKSA-N 1 2 261.300 1.408 20 30 CDEDLO CC[N@@H+](Cc1ccc(F)cc1C#N)[C@H]1CCNC1=O ZINC000331292039 374923432 /nfs/dbraw/zinc/92/34/32/374923432.db2.gz KTCMCRFZKVUVCF-ZDUSSCGKSA-N 1 2 261.300 1.408 20 30 CDEDLO C[C@@H]1CC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)=NO1 ZINC000359875365 375473988 /nfs/dbraw/zinc/47/39/88/375473988.db2.gz SXHBLYQXHQDYNK-YPMHNXCESA-N 1 2 288.351 1.285 20 30 CDEDLO C[C@@H]1CC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)=NO1 ZINC000359875365 375473992 /nfs/dbraw/zinc/47/39/92/375473992.db2.gz SXHBLYQXHQDYNK-YPMHNXCESA-N 1 2 288.351 1.285 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ncnn1C ZINC000426622412 247045130 /nfs/dbraw/zinc/04/51/30/247045130.db2.gz FYZTVOUFVBIDAY-NSHDSACASA-N 1 2 255.325 1.880 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ncnn1C ZINC000426622412 247045134 /nfs/dbraw/zinc/04/51/34/247045134.db2.gz FYZTVOUFVBIDAY-NSHDSACASA-N 1 2 255.325 1.880 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000428131494 247248197 /nfs/dbraw/zinc/24/81/97/247248197.db2.gz OJYFCBBJUKKYPC-UHFFFAOYSA-N 1 2 257.253 1.826 20 30 CDEDLO C=C[C@@H](CO)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425307719 375820759 /nfs/dbraw/zinc/82/07/59/375820759.db2.gz BLHRVHYPTSWNDA-UONOGXRCSA-N 1 2 285.347 1.595 20 30 CDEDLO C#CC[N@@H+](CCCCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000112678753 375810046 /nfs/dbraw/zinc/81/00/46/375810046.db2.gz BZLVYUGYIDORJJ-CYBMUJFWSA-N 1 2 257.399 1.689 20 30 CDEDLO C#CC[N@H+](CCCCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000112678753 375810048 /nfs/dbraw/zinc/81/00/48/375810048.db2.gz BZLVYUGYIDORJJ-CYBMUJFWSA-N 1 2 257.399 1.689 20 30 CDEDLO C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CCCC1 ZINC000328805541 375958950 /nfs/dbraw/zinc/95/89/50/375958950.db2.gz LSAJAELVNLVAMM-NWDGAFQWSA-N 1 2 290.367 1.413 20 30 CDEDLO CC(C)(CNC(=O)N1CCCCO1)[NH+]1CCOCC1 ZINC000328707780 375933552 /nfs/dbraw/zinc/93/35/52/375933552.db2.gz QESVHWDVDYXSCP-UHFFFAOYSA-N 1 2 271.361 1.039 20 30 CDEDLO C=C(C)CCc1noc([C@H]2C[N@H+](CC)CCO2)n1 ZINC000420499481 376359432 /nfs/dbraw/zinc/35/94/32/376359432.db2.gz CWFZOLMCMXVPHG-LLVKDONJSA-N 1 2 251.330 1.972 20 30 CDEDLO C=C(C)CCc1noc([C@H]2C[N@@H+](CC)CCO2)n1 ZINC000420499481 376359438 /nfs/dbraw/zinc/35/94/38/376359438.db2.gz CWFZOLMCMXVPHG-LLVKDONJSA-N 1 2 251.330 1.972 20 30 CDEDLO CC[C@H]1C[NH+](CC(=O)N(CC)CCC#N)C[C@H](CC)O1 ZINC000420964601 376517890 /nfs/dbraw/zinc/51/78/90/376517890.db2.gz WWQRTKVDIWWYKS-KBPBESRZSA-N 1 2 281.400 1.638 20 30 CDEDLO Cc1cccc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)c1F ZINC000331238739 376789242 /nfs/dbraw/zinc/78/92/42/376789242.db2.gz JIUCODIWKWCTMU-GFCCVEGCSA-N 1 2 296.342 1.132 20 30 CDEDLO CCS(=O)(=O)CC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000172397129 377505461 /nfs/dbraw/zinc/50/54/61/377505461.db2.gz FVLKVNGHLAFGGN-UHFFFAOYSA-N 1 2 292.404 1.957 20 30 CDEDLO CCS(=O)(=O)CC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000172397129 377505473 /nfs/dbraw/zinc/50/54/73/377505473.db2.gz FVLKVNGHLAFGGN-UHFFFAOYSA-N 1 2 292.404 1.957 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2C(N)=O)c(OC(F)F)c1 ZINC000437148963 249502137 /nfs/dbraw/zinc/50/21/37/249502137.db2.gz YFJZEPQBFJEPBT-NSHDSACASA-N 1 2 295.289 1.609 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)c(OC(F)F)c1 ZINC000437148963 249502139 /nfs/dbraw/zinc/50/21/39/249502139.db2.gz YFJZEPQBFJEPBT-NSHDSACASA-N 1 2 295.289 1.609 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC000280634332 377968638 /nfs/dbraw/zinc/96/86/38/377968638.db2.gz ADZMEMKSLCVVST-IUODEOHRSA-N 1 2 277.368 1.450 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCc1cn2ccccc2[nH+]1 ZINC000289624581 378329208 /nfs/dbraw/zinc/32/92/08/378329208.db2.gz VIZCUDBHUMHZNM-CQSZACIVSA-N 1 2 259.309 1.278 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000290864660 378414263 /nfs/dbraw/zinc/41/42/63/378414263.db2.gz ZUKIIPIJDNJGKI-AAEUAGOBSA-N 1 2 251.330 1.550 20 30 CDEDLO C=CCN(c1cc(N2CCC[C@H]2CO)[nH+]cn1)C1CC1 ZINC000293045610 378546976 /nfs/dbraw/zinc/54/69/76/378546976.db2.gz MAZZAMSCMXDIQS-ZDUSSCGKSA-N 1 2 274.368 1.593 20 30 CDEDLO C=CCN(c1cc(N2CCC[C@H]2CO)nc[nH+]1)C1CC1 ZINC000293045610 378546981 /nfs/dbraw/zinc/54/69/81/378546981.db2.gz MAZZAMSCMXDIQS-ZDUSSCGKSA-N 1 2 274.368 1.593 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCCCN(C)c1ccccc1 ZINC000293052326 378547147 /nfs/dbraw/zinc/54/71/47/378547147.db2.gz HWXZRZIDHMBUGU-UHFFFAOYSA-N 1 2 287.407 1.584 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCCCN(C)c1ccccc1 ZINC000293052326 378547151 /nfs/dbraw/zinc/54/71/51/378547151.db2.gz HWXZRZIDHMBUGU-UHFFFAOYSA-N 1 2 287.407 1.584 20 30 CDEDLO C=CCSCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343354464 378783191 /nfs/dbraw/zinc/78/31/91/378783191.db2.gz AYIXLKVFPGNWPH-NSHDSACASA-N 1 2 265.382 1.481 20 30 CDEDLO C#C[C@H](C)NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000185977742 378832074 /nfs/dbraw/zinc/83/20/74/378832074.db2.gz OTJCCRCYUNAAIV-LBPRGKRZSA-N 1 2 292.408 1.382 20 30 CDEDLO C#C[C@H](C)NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000185977742 378832081 /nfs/dbraw/zinc/83/20/81/378832081.db2.gz OTJCCRCYUNAAIV-LBPRGKRZSA-N 1 2 292.408 1.382 20 30 CDEDLO C#C[C@H](C)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000186025667 378840014 /nfs/dbraw/zinc/84/00/14/378840014.db2.gz SBIZOBSTFWYSMQ-LBPRGKRZSA-N 1 2 272.352 1.503 20 30 CDEDLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343545561 378905424 /nfs/dbraw/zinc/90/54/24/378905424.db2.gz YRWWFVHDLMWLDB-LSDHHAIUSA-N 1 2 288.347 1.515 20 30 CDEDLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000343545561 378905428 /nfs/dbraw/zinc/90/54/28/378905428.db2.gz YRWWFVHDLMWLDB-LSDHHAIUSA-N 1 2 288.347 1.515 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000278709144 194115659 /nfs/dbraw/zinc/11/56/59/194115659.db2.gz NTHPFHXZAVKOBG-TZMCWYRMSA-N 1 2 275.352 1.591 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000175154585 379646334 /nfs/dbraw/zinc/64/63/34/379646334.db2.gz GIZDBXPZHIGSKS-UHFFFAOYSA-N 1 2 295.346 1.239 20 30 CDEDLO Cn1cc(N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)cn1 ZINC000174941129 379613597 /nfs/dbraw/zinc/61/35/97/379613597.db2.gz PNWPKOKDCRJWFK-UHFFFAOYSA-N 1 2 299.353 1.753 20 30 CDEDLO N#Cc1csc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000246803902 379666997 /nfs/dbraw/zinc/66/69/97/379666997.db2.gz QVFNGLQMYJUXQI-KGLIPLIRSA-N 1 2 278.377 2.000 20 30 CDEDLO N#Cc1csc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000246803902 379667003 /nfs/dbraw/zinc/66/70/03/379667003.db2.gz QVFNGLQMYJUXQI-KGLIPLIRSA-N 1 2 278.377 2.000 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000279334586 194388910 /nfs/dbraw/zinc/38/89/10/194388910.db2.gz HOZUDUBDCSTBLA-WFASDCNBSA-N 1 2 275.352 1.104 20 30 CDEDLO O=C1C[N@@H+](CC#Cc2ccc(F)cc2)[C@H]2CCCC[C@H]2N1 ZINC000156882575 296333546 /nfs/dbraw/zinc/33/35/46/296333546.db2.gz NJWBMFWOCUZNKF-CVEARBPZSA-N 1 2 286.350 1.920 20 30 CDEDLO O=C1C[N@H+](CC#Cc2ccc(F)cc2)[C@H]2CCCC[C@H]2N1 ZINC000156882575 296333547 /nfs/dbraw/zinc/33/35/47/296333547.db2.gz NJWBMFWOCUZNKF-CVEARBPZSA-N 1 2 286.350 1.920 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000685707823 483209084 /nfs/dbraw/zinc/20/90/84/483209084.db2.gz ARWFIVWIEALKFY-GXTWGEPZSA-N 1 2 263.341 1.374 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000288231512 197031937 /nfs/dbraw/zinc/03/19/37/197031937.db2.gz RPTFYTCSSQOFSF-FZMZJTMJSA-N 1 2 263.341 1.440 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(CCC)CCC)C1=O ZINC000281219775 195154898 /nfs/dbraw/zinc/15/48/98/195154898.db2.gz DTGSSFQPDUVCQW-AWEZNQCLSA-N 1 2 295.427 1.354 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(CCC)CCC)C1=O ZINC000281219775 195154900 /nfs/dbraw/zinc/15/49/00/195154900.db2.gz DTGSSFQPDUVCQW-AWEZNQCLSA-N 1 2 295.427 1.354 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCCCCC)C1=O ZINC000281251972 195169150 /nfs/dbraw/zinc/16/91/50/195169150.db2.gz GWVYGMZTUXFHFI-CYBMUJFWSA-N 1 2 281.400 1.012 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCCCCC)C1=O ZINC000281251972 195169152 /nfs/dbraw/zinc/16/91/52/195169152.db2.gz GWVYGMZTUXFHFI-CYBMUJFWSA-N 1 2 281.400 1.012 20 30 CDEDLO N#CCCC[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000080930432 390830705 /nfs/dbraw/zinc/83/07/05/390830705.db2.gz MXIKBDWZQRHQII-UHFFFAOYSA-N 1 2 273.336 1.454 20 30 CDEDLO C=CCn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000368398744 390957408 /nfs/dbraw/zinc/95/74/08/390957408.db2.gz UZBPAQGOXPKUHL-CQSZACIVSA-N 1 2 285.351 1.433 20 30 CDEDLO C=CCn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000368398744 390957409 /nfs/dbraw/zinc/95/74/09/390957409.db2.gz UZBPAQGOXPKUHL-CQSZACIVSA-N 1 2 285.351 1.433 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000296666032 391061589 /nfs/dbraw/zinc/06/15/89/391061589.db2.gz KJORVLVKGAOARV-OAHLLOKOSA-N 1 2 290.338 1.950 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000296666032 391061598 /nfs/dbraw/zinc/06/15/98/391061598.db2.gz KJORVLVKGAOARV-OAHLLOKOSA-N 1 2 290.338 1.950 20 30 CDEDLO C=CCCOCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000373575293 391123802 /nfs/dbraw/zinc/12/38/02/391123802.db2.gz JULWNRSERRWEQU-OAHLLOKOSA-N 1 2 296.411 1.339 20 30 CDEDLO C=CCCOCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000373575293 391123808 /nfs/dbraw/zinc/12/38/08/391123808.db2.gz JULWNRSERRWEQU-OAHLLOKOSA-N 1 2 296.411 1.339 20 30 CDEDLO C[C@H](C#N)S(=O)(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000352413765 391128145 /nfs/dbraw/zinc/12/81/45/391128145.db2.gz QONGOAMOIGDPGG-LLVKDONJSA-N 1 2 294.380 1.013 20 30 CDEDLO C#C[C@@H](NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)C(C)C ZINC000374105587 391147065 /nfs/dbraw/zinc/14/70/65/391147065.db2.gz HMVBPICNZDROKK-HUUCEWRRSA-N 1 2 278.396 1.261 20 30 CDEDLO C#C[C@@H](NC(=O)[C@H]1COCC[N@H+]1CC1CCC1)C(C)C ZINC000374105587 391147069 /nfs/dbraw/zinc/14/70/69/391147069.db2.gz HMVBPICNZDROKK-HUUCEWRRSA-N 1 2 278.396 1.261 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000345372854 391190805 /nfs/dbraw/zinc/19/08/05/391190805.db2.gz BSIMBUIUEBCCFL-UONOGXRCSA-N 1 2 284.400 1.147 20 30 CDEDLO CC(C)[C@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)CCO1 ZINC000331834273 391216912 /nfs/dbraw/zinc/21/69/12/391216912.db2.gz JVSNPBROKCYQLU-UKRRQHHQSA-N 1 2 279.384 1.152 20 30 CDEDLO CC(C)[C@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CCO1 ZINC000331834273 391216915 /nfs/dbraw/zinc/21/69/15/391216915.db2.gz JVSNPBROKCYQLU-UKRRQHHQSA-N 1 2 279.384 1.152 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000164734036 391244678 /nfs/dbraw/zinc/24/46/78/391244678.db2.gz OFXFMBJZXUHVTF-MRXNPFEDSA-N 1 2 299.418 1.563 20 30 CDEDLO CC(C)(C)[C@H](C#N)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000267949726 391207248 /nfs/dbraw/zinc/20/72/48/391207248.db2.gz BHCHGJUIJFCFMY-LBPRGKRZSA-N 1 2 270.336 1.931 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCCNC(=O)OC(C)(C)C ZINC000491680214 391207512 /nfs/dbraw/zinc/20/75/12/391207512.db2.gz HXGMMKUQMCKQBK-LBPRGKRZSA-N 1 2 268.357 1.235 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCCNC(=O)OC(C)(C)C ZINC000491680214 391207516 /nfs/dbraw/zinc/20/75/16/391207516.db2.gz HXGMMKUQMCKQBK-LBPRGKRZSA-N 1 2 268.357 1.235 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000375952622 391208511 /nfs/dbraw/zinc/20/85/11/391208511.db2.gz BYVHGVMXQOMDPM-PJSUUKDQSA-N 1 2 298.452 1.276 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000375952622 391208513 /nfs/dbraw/zinc/20/85/13/391208513.db2.gz BYVHGVMXQOMDPM-PJSUUKDQSA-N 1 2 298.452 1.276 20 30 CDEDLO Cc1cccc2[nH+]c(CNC(=O)[C@@]3(C#N)C[C@@H]3C)cn21 ZINC000335154182 391333357 /nfs/dbraw/zinc/33/33/57/391333357.db2.gz GZUUUAFOPMKDKL-ZUZCIYMTSA-N 1 2 268.320 1.809 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccccc1OCC(=O)N(C)C ZINC000271141246 391289083 /nfs/dbraw/zinc/28/90/83/391289083.db2.gz VFVWREWQMTTYAK-ZDUSSCGKSA-N 1 2 289.379 1.745 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccccc1OCC(=O)N(C)C ZINC000271141246 391289087 /nfs/dbraw/zinc/28/90/87/391289087.db2.gz VFVWREWQMTTYAK-ZDUSSCGKSA-N 1 2 289.379 1.745 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@]23CCOC3=O)cc1 ZINC000186620332 391337198 /nfs/dbraw/zinc/33/71/98/391337198.db2.gz BRLPROXTLXLIBI-HNNXBMFYSA-N 1 2 256.305 1.840 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@]23CCOC3=O)cc1 ZINC000186620332 391337203 /nfs/dbraw/zinc/33/72/03/391337203.db2.gz BRLPROXTLXLIBI-HNNXBMFYSA-N 1 2 256.305 1.840 20 30 CDEDLO COc1cccc(C(N)=[NH+]OCc2nnc(C)s2)c1 ZINC000271581090 391296746 /nfs/dbraw/zinc/29/67/46/391296746.db2.gz WZPVIFQMCXAMFK-UHFFFAOYSA-N 1 2 278.337 1.692 20 30 CDEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)NCC1(O)CCCC1 ZINC000328611039 391343120 /nfs/dbraw/zinc/34/31/20/391343120.db2.gz OEFOEQGHIAWGGY-LBPRGKRZSA-N 1 2 292.383 1.569 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000339755038 391348451 /nfs/dbraw/zinc/34/84/51/391348451.db2.gz DMVZCXCJJHKJKO-UHFFFAOYSA-N 1 2 276.384 1.611 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000339755038 391348456 /nfs/dbraw/zinc/34/84/56/391348456.db2.gz DMVZCXCJJHKJKO-UHFFFAOYSA-N 1 2 276.384 1.611 20 30 CDEDLO CC(C)[C@H](C#N)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000346402437 391351302 /nfs/dbraw/zinc/35/13/02/391351302.db2.gz OKQBOMJLEPSNHF-MCIONIFRSA-N 1 2 286.379 1.818 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000339763558 391355423 /nfs/dbraw/zinc/35/54/23/391355423.db2.gz PBRVQCWPSREGAH-UHFFFAOYSA-N 1 2 276.336 1.597 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000339763558 391355426 /nfs/dbraw/zinc/35/54/26/391355426.db2.gz PBRVQCWPSREGAH-UHFFFAOYSA-N 1 2 276.336 1.597 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000339766870 391356416 /nfs/dbraw/zinc/35/64/16/391356416.db2.gz VGESPAXPEWRTGH-UHFFFAOYSA-N 1 2 292.354 1.748 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000339766870 391356421 /nfs/dbraw/zinc/35/64/21/391356421.db2.gz VGESPAXPEWRTGH-UHFFFAOYSA-N 1 2 292.354 1.748 20 30 CDEDLO CN1C(=O)N[C@@H]2C[N@@H+](CC(=O)NCC3CCC3)CC[C@@H]21 ZINC000328921026 391393851 /nfs/dbraw/zinc/39/38/51/391393851.db2.gz BJQCHHAQLUZFHX-NEPJUHHUSA-N 1 2 280.372 1.045 20 30 CDEDLO CN1C(=O)N[C@@H]2C[N@H+](CC(=O)NCC3CCC3)CC[C@@H]21 ZINC000328921026 391393854 /nfs/dbraw/zinc/39/38/54/391393854.db2.gz BJQCHHAQLUZFHX-NEPJUHHUSA-N 1 2 280.372 1.045 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000348658097 391449679 /nfs/dbraw/zinc/44/96/79/391449679.db2.gz VNKWKVCNSPQCDY-MRXNPFEDSA-N 1 2 286.379 1.666 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccnc(N(C)C)c1 ZINC000330618155 391460212 /nfs/dbraw/zinc/46/02/12/391460212.db2.gz HAJATGONVPMDCA-LBPRGKRZSA-N 1 2 292.383 1.173 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccnc(N(C)C)c1 ZINC000330618155 391460216 /nfs/dbraw/zinc/46/02/16/391460216.db2.gz HAJATGONVPMDCA-LBPRGKRZSA-N 1 2 292.383 1.173 20 30 CDEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCc2nn[nH]c2C1 ZINC000351646579 391496886 /nfs/dbraw/zinc/49/68/86/391496886.db2.gz PSPLNQVTNCFGSN-SNVBAGLBSA-N 1 2 253.309 1.796 20 30 CDEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2nn[nH]c2C1 ZINC000351646579 391496890 /nfs/dbraw/zinc/49/68/90/391496890.db2.gz PSPLNQVTNCFGSN-SNVBAGLBSA-N 1 2 253.309 1.796 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000192238012 391715146 /nfs/dbraw/zinc/71/51/46/391715146.db2.gz LUVOWPFWKOWNEP-CHWSQXEVSA-N 1 2 256.349 1.918 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000192238012 391715151 /nfs/dbraw/zinc/71/51/51/391715151.db2.gz LUVOWPFWKOWNEP-CHWSQXEVSA-N 1 2 256.349 1.918 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](CC(=O)OC)C2CCCC2)C1=O ZINC000282019981 391668854 /nfs/dbraw/zinc/66/88/54/391668854.db2.gz PDDFWCYKBJYPNK-ZDUSSCGKSA-N 1 2 280.368 1.191 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](CC(=O)OC)C2CCCC2)C1=O ZINC000282019981 391668856 /nfs/dbraw/zinc/66/88/56/391668856.db2.gz PDDFWCYKBJYPNK-ZDUSSCGKSA-N 1 2 280.368 1.191 20 30 CDEDLO CCC(CC)C[N@@H+](CCC#N)CCNS(=O)(=O)CC ZINC000362174442 391714076 /nfs/dbraw/zinc/71/40/76/391714076.db2.gz YIGLIWJEZAKQMJ-UHFFFAOYSA-N 1 2 289.445 1.578 20 30 CDEDLO CCC(CC)C[N@H+](CCC#N)CCNS(=O)(=O)CC ZINC000362174442 391714079 /nfs/dbraw/zinc/71/40/79/391714079.db2.gz YIGLIWJEZAKQMJ-UHFFFAOYSA-N 1 2 289.445 1.578 20 30 CDEDLO C#CC[N@@H+](CC(=O)NC(=O)NCCC)Cc1ccccc1 ZINC000285610658 391714825 /nfs/dbraw/zinc/71/48/25/391714825.db2.gz JUPWNEIOXGAYNV-UHFFFAOYSA-N 1 2 287.363 1.358 20 30 CDEDLO C#CC[N@H+](CC(=O)NC(=O)NCCC)Cc1ccccc1 ZINC000285610658 391714833 /nfs/dbraw/zinc/71/48/33/391714833.db2.gz JUPWNEIOXGAYNV-UHFFFAOYSA-N 1 2 287.363 1.358 20 30 CDEDLO C=CC(C)(C)CNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000413320328 391751735 /nfs/dbraw/zinc/75/17/35/391751735.db2.gz VELHZJIFFJPYCX-JTQLQIEISA-N 1 2 250.346 1.315 20 30 CDEDLO C=CC(C)(C)CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000413320328 391751739 /nfs/dbraw/zinc/75/17/39/391751739.db2.gz VELHZJIFFJPYCX-JTQLQIEISA-N 1 2 250.346 1.315 20 30 CDEDLO C[C@H](NC(=O)N[C@]1(C)CCCOC1)[C@H](C)[NH+]1CCOCC1 ZINC000329160971 391767136 /nfs/dbraw/zinc/76/71/36/391767136.db2.gz YQIHQJLEZKJMOU-KCQAQPDRSA-N 1 2 299.415 1.168 20 30 CDEDLO C[C@]1(O)CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329746573 391769822 /nfs/dbraw/zinc/76/98/22/391769822.db2.gz RUIHCXXFAHVVOB-YGRLFVJLSA-N 1 2 278.356 1.028 20 30 CDEDLO C[C@]1(O)CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329746573 391769825 /nfs/dbraw/zinc/76/98/25/391769825.db2.gz RUIHCXXFAHVVOB-YGRLFVJLSA-N 1 2 278.356 1.028 20 30 CDEDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000496912177 391929690 /nfs/dbraw/zinc/92/96/90/391929690.db2.gz OBSRYPMVBPHJBL-AWEZNQCLSA-N 1 2 288.351 1.616 20 30 CDEDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000496912177 391929697 /nfs/dbraw/zinc/92/96/97/391929697.db2.gz OBSRYPMVBPHJBL-AWEZNQCLSA-N 1 2 288.351 1.616 20 30 CDEDLO CCN1CC[N@H+](Cc2ccc(C#N)c(C)c2)[C@H](C)C1=O ZINC000488964043 392823170 /nfs/dbraw/zinc/82/31/70/392823170.db2.gz HMUUASHFHUFNHO-CYBMUJFWSA-N 1 2 271.364 1.919 20 30 CDEDLO CCN1CC[N@@H+](Cc2ccc(C#N)c(C)c2)[C@H](C)C1=O ZINC000488964043 392823177 /nfs/dbraw/zinc/82/31/77/392823177.db2.gz HMUUASHFHUFNHO-CYBMUJFWSA-N 1 2 271.364 1.919 20 30 CDEDLO C=C[C@H](O)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000646819726 392904866 /nfs/dbraw/zinc/90/48/66/392904866.db2.gz WQSFRRJOQDRIDG-RYUDHWBXSA-N 1 2 284.306 1.231 20 30 CDEDLO Cc1cc(NCCCOC[C@@H]2CCCO2)c(C#N)c[nH+]1 ZINC000425199127 392992011 /nfs/dbraw/zinc/99/20/11/392992011.db2.gz GRSFSAKTTBVIAF-AWEZNQCLSA-N 1 2 275.352 1.681 20 30 CDEDLO Cc1nnc(CNc2cc(C)[nH+]cc2C#N)n1C1CC1 ZINC000425250880 393005654 /nfs/dbraw/zinc/00/56/54/393005654.db2.gz WMDKXUAKROYOJE-UHFFFAOYSA-N 1 2 268.324 1.531 20 30 CDEDLO Cc1cc(N2CC[C@@H](n3cccn3)C2)c(C#N)c[nH+]1 ZINC000425266818 393010563 /nfs/dbraw/zinc/01/05/63/393010563.db2.gz JGVSFDWVVXLGQK-CYBMUJFWSA-N 1 2 253.309 1.910 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)C[C@@H](C)O1 ZINC000187714298 140082972 /nfs/dbraw/zinc/08/29/72/140082972.db2.gz IQUXYGBPHJODOW-XUJVJEKNSA-N 1 2 288.347 1.882 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)C[C@@H](C)O1 ZINC000187714298 140082973 /nfs/dbraw/zinc/08/29/73/140082973.db2.gz IQUXYGBPHJODOW-XUJVJEKNSA-N 1 2 288.347 1.882 20 30 CDEDLO C=CCCNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000664227933 413159227 /nfs/dbraw/zinc/15/92/27/413159227.db2.gz LZFZCLPRFCEBDD-GFCCVEGCSA-N 1 2 262.357 1.673 20 30 CDEDLO C=CCCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000664227933 413159232 /nfs/dbraw/zinc/15/92/32/413159232.db2.gz LZFZCLPRFCEBDD-GFCCVEGCSA-N 1 2 262.357 1.673 20 30 CDEDLO C=CC[N@@H+](CCc1cncc(C)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000649559507 397828292 /nfs/dbraw/zinc/82/82/92/397828292.db2.gz DYFFPKCKSXKUHK-CQSZACIVSA-N 1 2 295.408 1.003 20 30 CDEDLO C=CC[N@H+](CCc1cncc(C)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000649559507 397828297 /nfs/dbraw/zinc/82/82/97/397828297.db2.gz DYFFPKCKSXKUHK-CQSZACIVSA-N 1 2 295.408 1.003 20 30 CDEDLO Cc1cccnc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000093157929 147035662 /nfs/dbraw/zinc/03/56/62/147035662.db2.gz SBFCAZFCJGNOPX-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO N#Cc1csc(C[N@H+]2CCC[C@@](F)(CO)C2)c1 ZINC000335148356 150339075 /nfs/dbraw/zinc/33/90/75/150339075.db2.gz XLKBIGUXHIOUJA-LBPRGKRZSA-N 1 2 254.330 1.916 20 30 CDEDLO N#Cc1csc(C[N@@H+]2CCC[C@@](F)(CO)C2)c1 ZINC000335148356 150339079 /nfs/dbraw/zinc/33/90/79/150339079.db2.gz XLKBIGUXHIOUJA-LBPRGKRZSA-N 1 2 254.330 1.916 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)COc1ccc(C#N)cc1 ZINC000348252643 153834911 /nfs/dbraw/zinc/83/49/11/153834911.db2.gz AUHIPKLAKNJXSE-UHFFFAOYSA-N 1 2 297.314 1.657 20 30 CDEDLO COc1cc(C[N@@H+]2CC[S@](=O)CC[C@@H]2C)ccc1C#N ZINC000373026419 160166649 /nfs/dbraw/zinc/16/66/49/160166649.db2.gz SKPUMRXTGOEIFX-FKIZINRSSA-N 1 2 292.404 1.910 20 30 CDEDLO COc1cc(C[N@H+]2CC[S@](=O)CC[C@@H]2C)ccc1C#N ZINC000373026419 160166650 /nfs/dbraw/zinc/16/66/50/160166650.db2.gz SKPUMRXTGOEIFX-FKIZINRSSA-N 1 2 292.404 1.910 20 30 CDEDLO C#CC[N@H+](Cc1ccccc1)C[C@H]1CCS(=O)(=O)C1 ZINC000285702073 196371887 /nfs/dbraw/zinc/37/18/87/196371887.db2.gz OJZOHEDJCIIALD-OAHLLOKOSA-N 1 2 277.389 1.557 20 30 CDEDLO C#CC[N@@H+](Cc1ccccc1)C[C@H]1CCS(=O)(=O)C1 ZINC000285702073 196371888 /nfs/dbraw/zinc/37/18/88/196371888.db2.gz OJZOHEDJCIIALD-OAHLLOKOSA-N 1 2 277.389 1.557 20 30 CDEDLO COCC[N@@H+](CCC#N)CCOCC(F)(F)F ZINC000071230987 176091905 /nfs/dbraw/zinc/09/19/05/176091905.db2.gz VHTPZWVGKNVSLU-UHFFFAOYSA-N 1 2 254.252 1.427 20 30 CDEDLO COCC[N@H+](CCC#N)CCOCC(F)(F)F ZINC000071230987 176091906 /nfs/dbraw/zinc/09/19/06/176091906.db2.gz VHTPZWVGKNVSLU-UHFFFAOYSA-N 1 2 254.252 1.427 20 30 CDEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000071904624 176295718 /nfs/dbraw/zinc/29/57/18/176295718.db2.gz GGQYVLSORNQSCU-QWRGUYRKSA-N 1 2 298.383 1.951 20 30 CDEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000071904624 176295719 /nfs/dbraw/zinc/29/57/19/176295719.db2.gz GGQYVLSORNQSCU-QWRGUYRKSA-N 1 2 298.383 1.951 20 30 CDEDLO C[C@@H]1CCC[N@H+](Cc2nc(C#N)cs2)[C@@H]1CO ZINC000419248484 287356257 /nfs/dbraw/zinc/35/62/57/287356257.db2.gz YDOJZAPXKCHWTK-MWLCHTKSSA-N 1 2 251.355 1.608 20 30 CDEDLO C[C@@H]1CCC[N@@H+](Cc2nc(C#N)cs2)[C@@H]1CO ZINC000419248484 287356258 /nfs/dbraw/zinc/35/62/58/287356258.db2.gz YDOJZAPXKCHWTK-MWLCHTKSSA-N 1 2 251.355 1.608 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000347054745 226005787 /nfs/dbraw/zinc/00/57/87/226005787.db2.gz AADBXWXBSQIALS-ZWNOBZJWSA-N 1 2 286.310 1.924 20 30 CDEDLO COC[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1ccco1 ZINC000347196270 226081899 /nfs/dbraw/zinc/08/18/99/226081899.db2.gz ADSVQLRCHJRLPW-LLVKDONJSA-N 1 2 277.324 1.119 20 30 CDEDLO C[C@H](CNC(=O)c1ccc2c(c1)COC2)[NH+]1CCOCC1 ZINC000329033113 227264916 /nfs/dbraw/zinc/26/49/16/227264916.db2.gz QHJPLQODYPMQEM-GFCCVEGCSA-N 1 2 290.363 1.742 20 30 CDEDLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329987301 228007595 /nfs/dbraw/zinc/00/75/95/228007595.db2.gz FZORIAKNTMGXRR-PJXYFTJBSA-N 1 2 276.340 1.148 20 30 CDEDLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329987301 228007597 /nfs/dbraw/zinc/00/75/97/228007597.db2.gz FZORIAKNTMGXRR-PJXYFTJBSA-N 1 2 276.340 1.148 20 30 CDEDLO C[C@H](NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)C1CCOCC1 ZINC000330182060 228058293 /nfs/dbraw/zinc/05/82/93/228058293.db2.gz HAKLYAIIEPVNMP-WCQYABFASA-N 1 2 292.383 1.517 20 30 CDEDLO C[C@H]([NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1)C1CCOCC1 ZINC000330182060 228058295 /nfs/dbraw/zinc/05/82/95/228058295.db2.gz HAKLYAIIEPVNMP-WCQYABFASA-N 1 2 292.383 1.517 20 30 CDEDLO C[C@H](CNC(=O)[C@@H]1CCCOCC1)[NH+]1CCOCC1 ZINC000330273289 228087958 /nfs/dbraw/zinc/08/79/58/228087958.db2.gz YYIFALZPVYBHJI-CHWSQXEVSA-N 1 2 270.373 1.480 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCCC[C@H]1CCO ZINC000330287753 228093524 /nfs/dbraw/zinc/09/35/24/228093524.db2.gz COLHMVQXDACAPM-OLZOCXBDSA-N 1 2 292.383 1.349 20 30 CDEDLO N#CC1(C[N@H+]2CCC[C@@H]2C(=O)N2CCSCC2)CC1 ZINC000336146314 228197483 /nfs/dbraw/zinc/19/74/83/228197483.db2.gz OVHXFMDYLQTHIV-GFCCVEGCSA-N 1 2 279.409 1.330 20 30 CDEDLO N#CC1(C[N@@H+]2CCC[C@@H]2C(=O)N2CCSCC2)CC1 ZINC000336146314 228197484 /nfs/dbraw/zinc/19/74/84/228197484.db2.gz OVHXFMDYLQTHIV-GFCCVEGCSA-N 1 2 279.409 1.330 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CCCC#N)C1CC1 ZINC000352304575 228217080 /nfs/dbraw/zinc/21/70/80/228217080.db2.gz ZLHURTYDKMESIL-NSHDSACASA-N 1 2 282.369 1.094 20 30 CDEDLO Cc1cc(N2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000400999688 260130687 /nfs/dbraw/zinc/13/06/87/260130687.db2.gz UPMJOMBKVIXMMU-PHIMTYICSA-N 1 2 279.365 1.274 20 30 CDEDLO CC1(C)C[NH+](CC(=O)NC2(C#N)CCC2)CC(C)(C)O1 ZINC000408123922 260249715 /nfs/dbraw/zinc/24/97/15/260249715.db2.gz KUYBGSZSAMAWTD-UHFFFAOYSA-N 1 2 279.384 1.438 20 30 CDEDLO N#CCCN(CC1CC1)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000517769971 260305104 /nfs/dbraw/zinc/30/51/04/260305104.db2.gz WUFQSZFPWUVQGM-UHFFFAOYSA-N 1 2 296.334 1.428 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)nc1 ZINC000518394731 260397562 /nfs/dbraw/zinc/39/75/62/260397562.db2.gz XVFTWCPYEPRDMH-NSHDSACASA-N 1 2 284.323 1.157 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)nc1 ZINC000518394731 260397564 /nfs/dbraw/zinc/39/75/64/260397564.db2.gz XVFTWCPYEPRDMH-NSHDSACASA-N 1 2 284.323 1.157 20 30 CDEDLO N#CCSCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152688470 261068070 /nfs/dbraw/zinc/06/80/70/261068070.db2.gz DDVDFQONJSXTDG-LLVKDONJSA-N 1 2 276.365 1.033 20 30 CDEDLO C#CCNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000490831066 261220076 /nfs/dbraw/zinc/22/00/76/261220076.db2.gz QPARZTNWOCKCGF-TWGQIWQCSA-N 1 2 283.375 1.660 20 30 CDEDLO Cc1nc(CC(N)=[NH+]OCc2nccs2)cs1 ZINC000161273667 261242037 /nfs/dbraw/zinc/24/20/37/261242037.db2.gz GJJMBWMEEDGSIX-UHFFFAOYSA-N 1 2 268.367 1.940 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(C)c2F)CC1 ZINC000490935481 261254150 /nfs/dbraw/zinc/25/41/50/261254150.db2.gz NEZRXDZKCSJBBH-UHFFFAOYSA-N 1 2 290.338 1.290 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000249720503 261259545 /nfs/dbraw/zinc/25/95/45/261259545.db2.gz LZNZOPDLWOPZKL-JHJVBQTASA-N 1 2 267.373 1.104 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000249720503 261259547 /nfs/dbraw/zinc/25/95/47/261259547.db2.gz LZNZOPDLWOPZKL-JHJVBQTASA-N 1 2 267.373 1.104 20 30 CDEDLO Cc1ccc(F)cc1CO[NH+]=C(N)CN1CCOCC1 ZINC000187143340 262126123 /nfs/dbraw/zinc/12/61/23/262126123.db2.gz YQURZFPLQSYUPM-UHFFFAOYSA-N 1 2 281.331 1.255 20 30 CDEDLO CCN(C)C(=O)CO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000273414364 263016862 /nfs/dbraw/zinc/01/68/62/263016862.db2.gz FACHLHOZUFBTQF-UHFFFAOYSA-N 1 2 271.267 1.080 20 30 CDEDLO CC(C)(C)n1ncnc1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000283953079 263084919 /nfs/dbraw/zinc/08/49/19/263084919.db2.gz FTDKYWOISRXQNN-VIFPVBQESA-N 1 2 267.333 1.001 20 30 CDEDLO NC(=[NH+]OCCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000284383431 263086648 /nfs/dbraw/zinc/08/66/48/263086648.db2.gz MDMZVSUEAWUVMM-LBPRGKRZSA-N 1 2 295.295 1.441 20 30 CDEDLO NC(=[NH+]OCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000284399374 263086664 /nfs/dbraw/zinc/08/66/64/263086664.db2.gz MZDZPGZTWLBXAK-NSHDSACASA-N 1 2 265.269 1.563 20 30 CDEDLO CC[C@](C)(C#N)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000285284680 263091665 /nfs/dbraw/zinc/09/16/65/263091665.db2.gz UPPKRABAULOEPZ-CQSZACIVSA-N 1 2 260.341 1.704 20 30 CDEDLO N#CCN1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289023672 263107030 /nfs/dbraw/zinc/10/70/30/263107030.db2.gz ANAZPRRLAGZWBR-CYBMUJFWSA-N 1 2 272.352 1.658 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccccc1OCC#N ZINC000299142883 263231947 /nfs/dbraw/zinc/23/19/47/263231947.db2.gz UBIFWXFJCJPAFX-GFCCVEGCSA-N 1 2 284.319 1.604 20 30 CDEDLO CCC[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000299358322 263240671 /nfs/dbraw/zinc/24/06/71/263240671.db2.gz CKILOYSZKRATJE-GFCCVEGCSA-N 1 2 298.346 1.853 20 30 CDEDLO CCC[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000299358322 263240672 /nfs/dbraw/zinc/24/06/72/263240672.db2.gz CKILOYSZKRATJE-GFCCVEGCSA-N 1 2 298.346 1.853 20 30 CDEDLO CC[C@H](C(=O)OC)[NH+]1CCC(C#N)(COC)CC1 ZINC000341992273 263382361 /nfs/dbraw/zinc/38/23/61/263382361.db2.gz PGAOHYUEQZFHBU-LLVKDONJSA-N 1 2 254.330 1.190 20 30 CDEDLO CCc1nn(C)cc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330631981 264000120 /nfs/dbraw/zinc/00/01/20/264000120.db2.gz GYHNRWSIMMHGFH-NSHDSACASA-N 1 2 280.372 1.008 20 30 CDEDLO CCc1nn(C)cc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330631981 264000121 /nfs/dbraw/zinc/00/01/21/264000121.db2.gz GYHNRWSIMMHGFH-NSHDSACASA-N 1 2 280.372 1.008 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000330726857 264026397 /nfs/dbraw/zinc/02/63/97/264026397.db2.gz FSDVNBDDUBEQCH-ZDUSSCGKSA-N 1 2 267.373 1.105 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000330726857 264026398 /nfs/dbraw/zinc/02/63/98/264026398.db2.gz FSDVNBDDUBEQCH-ZDUSSCGKSA-N 1 2 267.373 1.105 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCC(F)(F)F ZINC000330934491 264080049 /nfs/dbraw/zinc/08/00/49/264080049.db2.gz IZROLAVUHSTUGP-SECBINFHSA-N 1 2 283.294 1.163 20 30 CDEDLO CN(C)c1ccc(CNC(=O)N2CC[C@@H](CCO)C2)c[nH+]1 ZINC000330932744 264096755 /nfs/dbraw/zinc/09/67/55/264096755.db2.gz AWFBIPIYDJOJPB-LBPRGKRZSA-N 1 2 292.383 1.266 20 30 CDEDLO C=C[C@H](C)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000128105529 264273947 /nfs/dbraw/zinc/27/39/47/264273947.db2.gz IOQNUGVVEQSQAG-NSHDSACASA-N 1 2 262.357 1.636 20 30 CDEDLO CC(C)(C)N1CC[C@H]([NH+]2CCC(F)(C#N)CC2)C1=O ZINC000425440769 264320661 /nfs/dbraw/zinc/32/06/61/264320661.db2.gz BXJPIMVPZPXIST-NSHDSACASA-N 1 2 267.348 1.713 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@H](CC)C1 ZINC000045753434 423841836 /nfs/dbraw/zinc/84/18/36/423841836.db2.gz NRABGAVGIOEMFI-UONOGXRCSA-N 1 2 266.385 1.686 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@H](CC)C1 ZINC000045753434 423841845 /nfs/dbraw/zinc/84/18/45/423841845.db2.gz NRABGAVGIOEMFI-UONOGXRCSA-N 1 2 266.385 1.686 20 30 CDEDLO C=CC[N@@H+](Cc1ncnn1CCC)[C@@H](C)COC ZINC000661240676 424075001 /nfs/dbraw/zinc/07/50/01/424075001.db2.gz PXMZLGFCUSBWJB-LBPRGKRZSA-N 1 2 252.362 1.711 20 30 CDEDLO C=CC[N@H+](Cc1ncnn1CCC)[C@@H](C)COC ZINC000661240676 424075013 /nfs/dbraw/zinc/07/50/13/424075013.db2.gz PXMZLGFCUSBWJB-LBPRGKRZSA-N 1 2 252.362 1.711 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](CCOC)CC1 ZINC000343580275 265046052 /nfs/dbraw/zinc/04/60/52/265046052.db2.gz VUWMPNFONFGLNE-CQSZACIVSA-N 1 2 254.374 1.379 20 30 CDEDLO C=C[C@@H](CO)Nc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000357604148 266333850 /nfs/dbraw/zinc/33/38/50/266333850.db2.gz KLJIVQQRNALWKE-LBPRGKRZSA-N 1 2 256.309 1.228 20 30 CDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C1(C#N)CCC1 ZINC000367425924 267090101 /nfs/dbraw/zinc/09/01/01/267090101.db2.gz JQRSXTIJCUNURQ-STQMWFEESA-N 1 2 277.368 1.002 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[S@@](=O)CC[C@H]1C ZINC000370069163 267287033 /nfs/dbraw/zinc/28/70/33/267287033.db2.gz FCGBSQMPSYNSQB-YJYMSZOUSA-N 1 2 286.441 1.254 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[S@@](=O)CC[C@H]1C ZINC000370069163 267287034 /nfs/dbraw/zinc/28/70/34/267287034.db2.gz FCGBSQMPSYNSQB-YJYMSZOUSA-N 1 2 286.441 1.254 20 30 CDEDLO C#C[C@@H](C)NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000373473202 267680579 /nfs/dbraw/zinc/68/05/79/267680579.db2.gz FVKHWMNWSPXPFA-CHWSQXEVSA-N 1 2 257.337 1.436 20 30 CDEDLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000069866325 278215061 /nfs/dbraw/zinc/21/50/61/278215061.db2.gz KJHLLDJLEZMDIR-LLVKDONJSA-N 1 2 266.366 1.423 20 30 CDEDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000069866325 278215063 /nfs/dbraw/zinc/21/50/63/278215063.db2.gz KJHLLDJLEZMDIR-LLVKDONJSA-N 1 2 266.366 1.423 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000551885721 290022183 /nfs/dbraw/zinc/02/21/83/290022183.db2.gz VXEBYQFMLBHCDH-GFCCVEGCSA-N 1 2 281.319 1.203 20 30 CDEDLO Cc1ccc2[nH+]c(CNC(=O)c3ccc(C#N)cn3)cn2c1 ZINC000553195211 290101842 /nfs/dbraw/zinc/10/18/42/290101842.db2.gz JTKCQGHUBCZZCX-UHFFFAOYSA-N 1 2 291.314 1.839 20 30 CDEDLO COC(=O)C[N@H+](Cc1ccc(C#N)cn1)C1CCCC1 ZINC000555674171 290232469 /nfs/dbraw/zinc/23/24/69/290232469.db2.gz FAWGHFXGRNPKLZ-UHFFFAOYSA-N 1 2 273.336 1.871 20 30 CDEDLO COC(=O)C[N@@H+](Cc1ccc(C#N)cn1)C1CCCC1 ZINC000555674171 290232472 /nfs/dbraw/zinc/23/24/72/290232472.db2.gz FAWGHFXGRNPKLZ-UHFFFAOYSA-N 1 2 273.336 1.871 20 30 CDEDLO CCN1CCC[N@H+](Cc2ccc(C#N)cn2)CC1=O ZINC000570859614 294324107 /nfs/dbraw/zinc/32/41/07/294324107.db2.gz AQATXNDCJSUYDI-UHFFFAOYSA-N 1 2 258.325 1.007 20 30 CDEDLO CCN1CCC[N@@H+](Cc2ccc(C#N)cn2)CC1=O ZINC000570859614 294324108 /nfs/dbraw/zinc/32/41/08/294324108.db2.gz AQATXNDCJSUYDI-UHFFFAOYSA-N 1 2 258.325 1.007 20 30 CDEDLO C[C@@H](C(=O)Nc1ncccn1)[NH+]1CCC(C#N)CC1 ZINC000170836234 329068479 /nfs/dbraw/zinc/06/84/79/329068479.db2.gz DVTDGBNLMJKIKF-JTQLQIEISA-N 1 2 259.313 1.039 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cn2)C1=O ZINC000571414244 328119852 /nfs/dbraw/zinc/11/98/52/328119852.db2.gz JQIZTSDDLZUNCA-CQSZACIVSA-N 1 2 270.336 1.172 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cn2)C1=O ZINC000571414244 328119853 /nfs/dbraw/zinc/11/98/53/328119853.db2.gz JQIZTSDDLZUNCA-CQSZACIVSA-N 1 2 270.336 1.172 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CSCc1cccnc1 ZINC000571451045 328122897 /nfs/dbraw/zinc/12/28/97/328122897.db2.gz YHYPADXORTVHGQ-AWEZNQCLSA-N 1 2 292.408 1.275 20 30 CDEDLO Cc1cccc(OC[C@H](O)C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000268357910 328184384 /nfs/dbraw/zinc/18/43/84/328184384.db2.gz GESIJCXBGCIBFF-ZIAGYGMSSA-N 1 2 262.353 1.969 20 30 CDEDLO Cc1cccc(OC[C@H](O)C[N@H+](C)[C@H](C)CC#N)c1 ZINC000268357910 328184386 /nfs/dbraw/zinc/18/43/86/328184386.db2.gz GESIJCXBGCIBFF-ZIAGYGMSSA-N 1 2 262.353 1.969 20 30 CDEDLO CCOc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)CCO)cc1 ZINC000275525983 328215039 /nfs/dbraw/zinc/21/50/39/328215039.db2.gz PROMBLUQHCVAQO-SNVBAGLBSA-N 1 2 295.339 1.084 20 30 CDEDLO CC(C)[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)c1[nH]cc[nH+]1 ZINC000295999049 328288561 /nfs/dbraw/zinc/28/85/61/328288561.db2.gz MAIWRPPXMZSGPS-MNOVXSKESA-N 1 2 299.400 1.033 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)nc1 ZINC000579124763 324113427 /nfs/dbraw/zinc/11/34/27/324113427.db2.gz SAVYEYGFHFKGJW-NSHDSACASA-N 1 2 267.279 1.403 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)nc1 ZINC000579124763 324113430 /nfs/dbraw/zinc/11/34/30/324113430.db2.gz SAVYEYGFHFKGJW-NSHDSACASA-N 1 2 267.279 1.403 20 30 CDEDLO CC[C@H](NC(=O)N(C)Cc1[nH+]ccn1C)C1CCOCC1 ZINC000330712313 328469099 /nfs/dbraw/zinc/46/90/99/328469099.db2.gz VPRUMOYSSFEUDI-ZDUSSCGKSA-N 1 2 294.399 1.971 20 30 CDEDLO N#Cc1ccc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)nc1 ZINC000582930491 325071990 /nfs/dbraw/zinc/07/19/90/325071990.db2.gz KZFFBMFTYAPAKP-CYBMUJFWSA-N 1 2 297.318 1.539 20 30 CDEDLO N#Cc1ccc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)nc1 ZINC000582930491 325071994 /nfs/dbraw/zinc/07/19/94/325071994.db2.gz KZFFBMFTYAPAKP-CYBMUJFWSA-N 1 2 297.318 1.539 20 30 CDEDLO CN(C)c1[nH+]cccc1CNC(=O)C1(C#N)CCC1 ZINC000134600956 328515283 /nfs/dbraw/zinc/51/52/83/328515283.db2.gz XGOYRDBQTXKICS-UHFFFAOYSA-N 1 2 258.325 1.458 20 30 CDEDLO C=CCNC(=O)c1ccc(NCc2c[nH+]cn2C)cc1 ZINC000090167063 327031629 /nfs/dbraw/zinc/03/16/29/327031629.db2.gz CFSOEFHUWDLSBH-UHFFFAOYSA-N 1 2 270.336 1.948 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1COc2ccccc2C1 ZINC000584207697 327066867 /nfs/dbraw/zinc/06/68/67/327066867.db2.gz ZBAWPICXSWDJAZ-CJNGLKHVSA-N 1 2 287.363 1.198 20 30 CDEDLO CC(C)(CCC#N)CNC(=O)NCCCn1cc[nH+]c1 ZINC000558349120 327088241 /nfs/dbraw/zinc/08/82/41/327088241.db2.gz FLMMVFMOYRHZLL-UHFFFAOYSA-N 1 2 277.372 1.902 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(C)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092194262 327188058 /nfs/dbraw/zinc/18/80/58/327188058.db2.gz GNKHBWXLUFTYDO-INIZCTEOSA-N 1 2 291.416 1.926 20 30 CDEDLO C#CC[N@H+](Cc1ccc(C)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092194262 327188060 /nfs/dbraw/zinc/18/80/60/327188060.db2.gz GNKHBWXLUFTYDO-INIZCTEOSA-N 1 2 291.416 1.926 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C#N)CCCCC1 ZINC000578023983 327296618 /nfs/dbraw/zinc/29/66/18/327296618.db2.gz KQASQPBVVIMNSP-NSHDSACASA-N 1 2 260.341 1.931 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C#N)CCCCC1 ZINC000578023983 327296620 /nfs/dbraw/zinc/29/66/20/327296620.db2.gz KQASQPBVVIMNSP-NSHDSACASA-N 1 2 260.341 1.931 20 30 CDEDLO COc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(F)c1 ZINC000562921497 327525124 /nfs/dbraw/zinc/52/51/24/327525124.db2.gz IXCCNRHMUGCAKZ-CQSZACIVSA-N 1 2 279.315 1.408 20 30 CDEDLO CCCCCCCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178729448 329200172 /nfs/dbraw/zinc/20/01/72/329200172.db2.gz FMQJOXSERPSREU-CQSZACIVSA-N 1 2 267.417 1.463 20 30 CDEDLO CCCCC[N@H+](CC(N)=O)CC(=O)N[C@](C)(C#N)C(C)C ZINC000183061832 329246884 /nfs/dbraw/zinc/24/68/84/329246884.db2.gz XALIRYGCCDKCKT-OAHLLOKOSA-N 1 2 296.415 1.018 20 30 CDEDLO CCCCC[N@@H+](CC(N)=O)CC(=O)N[C@](C)(C#N)C(C)C ZINC000183061832 329246886 /nfs/dbraw/zinc/24/68/86/329246886.db2.gz XALIRYGCCDKCKT-OAHLLOKOSA-N 1 2 296.415 1.018 20 30 CDEDLO N#CC1(CNC(=O)NCCc2cn3ccccc3[nH+]2)CCC1 ZINC000419419387 329727135 /nfs/dbraw/zinc/72/71/35/329727135.db2.gz ZAZNITSJMIFUKZ-UHFFFAOYSA-N 1 2 297.362 1.870 20 30 CDEDLO C=CCCn1cc(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)nn1 ZINC000571875260 329925776 /nfs/dbraw/zinc/92/57/76/329925776.db2.gz ZWNUALVDVSSIDI-WDEREUQCSA-N 1 2 286.339 1.487 20 30 CDEDLO C=C(Cl)CNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000271180196 330078046 /nfs/dbraw/zinc/07/80/46/330078046.db2.gz LXLFETIZKVANHR-UHFFFAOYSA-N 1 2 294.786 1.661 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@H]1CCOC1 ZINC001267190015 1159167831 /nfs/dbraw/zinc/16/78/31/1159167831.db2.gz YMQWOSCQNIJBBM-LLVKDONJSA-N 1 2 260.765 1.214 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@H]1CCOC1 ZINC001267190015 1159167834 /nfs/dbraw/zinc/16/78/34/1159167834.db2.gz YMQWOSCQNIJBBM-LLVKDONJSA-N 1 2 260.765 1.214 20 30 CDEDLO N#CCC1(O)C[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000424140717 330281514 /nfs/dbraw/zinc/28/15/14/330281514.db2.gz STWQUAYJFXJOJW-KRWDZBQOSA-N 1 2 296.370 1.704 20 30 CDEDLO C=C(C)CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000452715043 331072735 /nfs/dbraw/zinc/07/27/35/331072735.db2.gz BMHBRIRLDCSFBC-CQSZACIVSA-N 1 2 266.385 1.712 20 30 CDEDLO C=C(C)CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000452715043 331072736 /nfs/dbraw/zinc/07/27/36/331072736.db2.gz BMHBRIRLDCSFBC-CQSZACIVSA-N 1 2 266.385 1.712 20 30 CDEDLO COCCN(CC#N)Cc1c[nH+]c2cccc(C)n12 ZINC000453596821 331135542 /nfs/dbraw/zinc/13/55/42/331135542.db2.gz JYYVGKFMXQCYIE-UHFFFAOYSA-N 1 2 258.325 1.615 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000458772012 331259570 /nfs/dbraw/zinc/25/95/70/331259570.db2.gz OYCKYAYBVFINFV-QWHCGFSZSA-N 1 2 292.383 1.498 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1ccn(C)n1 ZINC000459790594 331301044 /nfs/dbraw/zinc/30/10/44/331301044.db2.gz MIQHKWNWHHLBNR-GFCCVEGCSA-N 1 2 264.373 1.495 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000489260618 332044601 /nfs/dbraw/zinc/04/46/01/332044601.db2.gz SWHWGFYAFFKDQX-LLVKDONJSA-N 1 2 278.327 1.711 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCOc2ccc(F)cc2C1 ZINC000489260618 332044602 /nfs/dbraw/zinc/04/46/02/332044602.db2.gz SWHWGFYAFFKDQX-LLVKDONJSA-N 1 2 278.327 1.711 20 30 CDEDLO C#CC[N@@H+](CCCC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000490702046 332106546 /nfs/dbraw/zinc/10/65/46/332106546.db2.gz YYEYANDDCPLJSZ-CYBMUJFWSA-N 1 2 271.426 1.935 20 30 CDEDLO C#CC[N@H+](CCCC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000490702046 332106548 /nfs/dbraw/zinc/10/65/48/332106548.db2.gz YYEYANDDCPLJSZ-CYBMUJFWSA-N 1 2 271.426 1.935 20 30 CDEDLO C#CC[N@@H+](CC)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000490761551 332113307 /nfs/dbraw/zinc/11/33/07/332113307.db2.gz UORBPVQARFYSLH-CQSZACIVSA-N 1 2 281.377 1.079 20 30 CDEDLO C#CC[N@H+](CC)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000490761551 332113308 /nfs/dbraw/zinc/11/33/08/332113308.db2.gz UORBPVQARFYSLH-CQSZACIVSA-N 1 2 281.377 1.079 20 30 CDEDLO C#CCN(C(=O)N[C@@H](C)Cn1cc[nH+]c1)C1CCCC1 ZINC000490830884 332118527 /nfs/dbraw/zinc/11/85/27/332118527.db2.gz NKZIEDDNHXRWEU-ZDUSSCGKSA-N 1 2 274.368 1.859 20 30 CDEDLO C#CC[N@@H+](CCCC(C)(C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000490853030 332121002 /nfs/dbraw/zinc/12/10/02/332121002.db2.gz PKHOUSAJCNUBCB-CYBMUJFWSA-N 1 2 282.409 1.439 20 30 CDEDLO C#CC[N@H+](CCCC(C)(C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000490853030 332121004 /nfs/dbraw/zinc/12/10/04/332121004.db2.gz PKHOUSAJCNUBCB-CYBMUJFWSA-N 1 2 282.409 1.439 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)OCCCC(C)=O)CC1 ZINC000490866475 332121178 /nfs/dbraw/zinc/12/11/78/332121178.db2.gz PHQRTBDUTDIVNJ-UHFFFAOYSA-N 1 2 251.326 1.244 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@](C)(C(C)(C)C)C1=O ZINC000491325388 332189533 /nfs/dbraw/zinc/18/95/33/332189533.db2.gz CBBAFNNHCDNYLG-YGRLFVJLSA-N 1 2 265.357 1.254 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@](C)(C(C)(C)C)C1=O ZINC000491325388 332189535 /nfs/dbraw/zinc/18/95/35/332189535.db2.gz CBBAFNNHCDNYLG-YGRLFVJLSA-N 1 2 265.357 1.254 20 30 CDEDLO C#C[C@@H]1COCCN1C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000491372750 332199241 /nfs/dbraw/zinc/19/92/41/332199241.db2.gz KUYWRANTZRZSCD-VXGBXAGGSA-N 1 2 276.340 1.008 20 30 CDEDLO C#C[C@H](CCC)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000491484637 332220013 /nfs/dbraw/zinc/22/00/13/332220013.db2.gz KADXDJFWKBAWFR-CYBMUJFWSA-N 1 2 264.369 1.159 20 30 CDEDLO C#CC[N@@H+](CCSC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000491523761 332229010 /nfs/dbraw/zinc/22/90/10/332229010.db2.gz HCCYXPHGEMAOOT-LBPRGKRZSA-N 1 2 289.466 1.640 20 30 CDEDLO C#CC[N@H+](CCSC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000491523761 332229011 /nfs/dbraw/zinc/22/90/11/332229011.db2.gz HCCYXPHGEMAOOT-LBPRGKRZSA-N 1 2 289.466 1.640 20 30 CDEDLO C#C[C@@H]1COCCN1Cc1cn2cc(C)ccc2[nH+]1 ZINC000491526035 332230509 /nfs/dbraw/zinc/23/05/09/332230509.db2.gz WNUHERHRZPIWNG-CQSZACIVSA-N 1 2 255.321 1.477 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@](C)(c2ccccn2)CC1=O ZINC000491526064 332230543 /nfs/dbraw/zinc/23/05/43/332230543.db2.gz WVKVKMCFNWESRG-CZUORRHYSA-N 1 2 271.364 1.483 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@](C)(c2ccccn2)CC1=O ZINC000491526064 332230545 /nfs/dbraw/zinc/23/05/45/332230545.db2.gz WVKVKMCFNWESRG-CZUORRHYSA-N 1 2 271.364 1.483 20 30 CDEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)NC(=O)NCC ZINC000491617137 332244187 /nfs/dbraw/zinc/24/41/87/332244187.db2.gz JWSBKWXRSSREGK-ZDUSSCGKSA-N 1 2 287.363 1.356 20 30 CDEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)NC(=O)NCC ZINC000491617137 332244188 /nfs/dbraw/zinc/24/41/88/332244188.db2.gz JWSBKWXRSSREGK-ZDUSSCGKSA-N 1 2 287.363 1.356 20 30 CDEDLO C#C[C@@H](NC(=O)NCc1c[nH+]cn1C)c1ccc(F)cc1 ZINC000491622312 332247410 /nfs/dbraw/zinc/24/74/10/332247410.db2.gz HJIPRGYBIUMXRW-CQSZACIVSA-N 1 2 286.310 1.733 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N[C@H](Cc1ccccc1)C(C)=O ZINC000491673776 332279885 /nfs/dbraw/zinc/27/98/85/332279885.db2.gz JIRFYMFPEFDGSW-CZUORRHYSA-N 1 2 286.375 1.256 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N[C@H](Cc1ccccc1)C(C)=O ZINC000491673776 332279886 /nfs/dbraw/zinc/27/98/86/332279886.db2.gz JIRFYMFPEFDGSW-CZUORRHYSA-N 1 2 286.375 1.256 20 30 CDEDLO C#CC[NH+]1CCN(CN2C(=O)C[C@H]2Cc2ccccc2)CC1 ZINC000491748473 332325583 /nfs/dbraw/zinc/32/55/83/332325583.db2.gz OLHZQGOZWXIINJ-QGZVFWFLSA-N 1 2 297.402 1.038 20 30 CDEDLO C#C[C@H](CCC)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000491783206 332346737 /nfs/dbraw/zinc/34/67/37/332346737.db2.gz QNFOKXSRLOPUCO-GFCCVEGCSA-N 1 2 252.358 1.015 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000491795831 332354849 /nfs/dbraw/zinc/35/48/49/332354849.db2.gz XNRGUFDCYMUIGH-LLVKDONJSA-N 1 2 275.308 1.795 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000491795831 332354850 /nfs/dbraw/zinc/35/48/50/332354850.db2.gz XNRGUFDCYMUIGH-LLVKDONJSA-N 1 2 275.308 1.795 20 30 CDEDLO Cc1ccc(/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C)cn1 ZINC000493329956 332435808 /nfs/dbraw/zinc/43/58/08/332435808.db2.gz YNJVPDLGJKKPNQ-MVGZEHJDSA-N 1 2 272.352 1.363 20 30 CDEDLO N#C[C@]1(NC(=O)C=Cc2c[nH]c[nH+]2)CCc2ccccc2C1 ZINC000493396369 332438510 /nfs/dbraw/zinc/43/85/10/332438510.db2.gz FZGLIVNJUCODKG-RTRPANQVSA-N 1 2 292.342 1.990 20 30 CDEDLO CC(C)(C)OC(=O)NCC1(C=[NH+]n2ccnn2)CC1 ZINC000496863310 332562676 /nfs/dbraw/zinc/56/26/76/332562676.db2.gz HMAGNNPHXABVGJ-UHFFFAOYSA-N 1 2 265.317 1.417 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(OC)cc1 ZINC000517390585 333098608 /nfs/dbraw/zinc/09/86/08/333098608.db2.gz FXSFCLYBSKWSOQ-NSHDSACASA-N 1 2 261.325 1.916 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCOC[C@H]2C2CCC2)CCC1 ZINC000521621162 333180277 /nfs/dbraw/zinc/18/02/77/333180277.db2.gz WIZJUCMMROHHKA-ZDUSSCGKSA-N 1 2 277.368 1.050 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCOC[C@H]2C2CCC2)CCC1 ZINC000521621162 333180278 /nfs/dbraw/zinc/18/02/78/333180278.db2.gz WIZJUCMMROHHKA-ZDUSSCGKSA-N 1 2 277.368 1.050 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)NCCc2ccc(F)cc2)CC1 ZINC000195217188 333248212 /nfs/dbraw/zinc/24/82/12/333248212.db2.gz XPUHFQCBASRRGC-UHFFFAOYSA-N 1 2 289.354 1.329 20 30 CDEDLO C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CC(=O)c3ccccc32)CC1 ZINC000530397937 333546079 /nfs/dbraw/zinc/54/60/79/333546079.db2.gz YZPRFBHGVHHQEV-CQSZACIVSA-N 1 2 297.358 1.461 20 30 CDEDLO C[C@H](C#N)CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000248460690 334302843 /nfs/dbraw/zinc/30/28/43/334302843.db2.gz WSEVJNUEROPEJK-JHJVBQTASA-N 1 2 275.356 1.635 20 30 CDEDLO N#CCC[NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000579582881 335812378 /nfs/dbraw/zinc/81/23/78/335812378.db2.gz SEQPFPZPLYXGRA-HNNXBMFYSA-N 1 2 287.363 1.599 20 30 CDEDLO Cc1cc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)n(CCC#N)n1 ZINC000581734265 336139902 /nfs/dbraw/zinc/13/99/02/336139902.db2.gz GEZOAAXZMOAVHK-SNVBAGLBSA-N 1 2 286.339 1.646 20 30 CDEDLO Cc1cc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)n(CCC#N)n1 ZINC000581734265 336139904 /nfs/dbraw/zinc/13/99/04/336139904.db2.gz GEZOAAXZMOAVHK-SNVBAGLBSA-N 1 2 286.339 1.646 20 30 CDEDLO Cc1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000581978917 336182687 /nfs/dbraw/zinc/18/26/87/336182687.db2.gz HQTBYCXYPCNZCO-AWEZNQCLSA-N 1 2 290.323 1.477 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnnn2CC)[C@H]1C ZINC001088550293 1160518748 /nfs/dbraw/zinc/51/87/48/1160518748.db2.gz VCDAGNDHIOWUTK-MNOVXSKESA-N 1 2 297.790 1.243 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnnn2CC)[C@H]1C ZINC001088550293 1160518751 /nfs/dbraw/zinc/51/87/51/1160518751.db2.gz VCDAGNDHIOWUTK-MNOVXSKESA-N 1 2 297.790 1.243 20 30 CDEDLO C=C[C@@H](O)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000668979232 482451309 /nfs/dbraw/zinc/45/13/09/482451309.db2.gz VMQZEUHBYQSNMH-OAHLLOKOSA-N 1 2 290.363 1.313 20 30 CDEDLO COCC#CC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000677133009 482468846 /nfs/dbraw/zinc/46/88/46/482468846.db2.gz CDNMQZCMDVLWPT-UHFFFAOYSA-N 1 2 262.328 1.598 20 30 CDEDLO CC#CCCNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000681542581 482898278 /nfs/dbraw/zinc/89/82/78/482898278.db2.gz ORTBIHGACXSILP-CYBMUJFWSA-N 1 2 260.341 1.643 20 30 CDEDLO COCC#CC[NH2+][C@H](CS(C)(=O)=O)c1ccccc1 ZINC000678797867 483172900 /nfs/dbraw/zinc/17/29/00/483172900.db2.gz UBWIJUVOWUCEGF-CQSZACIVSA-N 1 2 281.377 1.012 20 30 CDEDLO C=CCCOCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000675573797 483334139 /nfs/dbraw/zinc/33/41/39/483334139.db2.gz TYTDDMOYCYUHEB-UHFFFAOYSA-N 1 2 259.309 1.543 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc[nH]c2)[C@H]1C ZINC001088584377 1160593205 /nfs/dbraw/zinc/59/32/05/1160593205.db2.gz QXFHSKCUHQIANL-PWSUYJOCSA-N 1 2 267.760 1.960 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c2)[C@H]1C ZINC001088584377 1160593211 /nfs/dbraw/zinc/59/32/11/1160593211.db2.gz QXFHSKCUHQIANL-PWSUYJOCSA-N 1 2 267.760 1.960 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001106081127 1161048566 /nfs/dbraw/zinc/04/85/66/1161048566.db2.gz YAISSMINUNWHGC-IUODEOHRSA-N 1 2 292.383 1.276 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001077780094 1161331513 /nfs/dbraw/zinc/33/15/13/1161331513.db2.gz CAEIUNNCBAPIQM-CFAJVAMVSA-N 1 2 292.423 1.243 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001077780094 1161331517 /nfs/dbraw/zinc/33/15/17/1161331517.db2.gz CAEIUNNCBAPIQM-CFAJVAMVSA-N 1 2 292.423 1.243 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cccnc1C1CC1 ZINC000329572003 533846835 /nfs/dbraw/zinc/84/68/35/533846835.db2.gz QYQOXXTZYNHOCP-LBPRGKRZSA-N 1 2 289.379 1.984 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@@H+](C)Cc1ccns1 ZINC001753059887 1182206074 /nfs/dbraw/zinc/20/60/74/1182206074.db2.gz ZHHSOQYWEZMMKN-UHFFFAOYSA-N 1 2 267.398 1.903 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@H+](C)Cc1ccns1 ZINC001753059887 1182206080 /nfs/dbraw/zinc/20/60/80/1182206080.db2.gz ZHHSOQYWEZMMKN-UHFFFAOYSA-N 1 2 267.398 1.903 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](OCC)C2CCOCC2)CC1 ZINC001113160655 1162118336 /nfs/dbraw/zinc/11/83/36/1162118336.db2.gz JEYWSKCJEGMVIN-OAHLLOKOSA-N 1 2 296.411 1.148 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2cccnc2C)CC1 ZINC001113273042 1162143568 /nfs/dbraw/zinc/14/35/68/1162143568.db2.gz MYXJQJGLVGDZKC-UHFFFAOYSA-N 1 2 289.379 1.350 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000151506257 523521859 /nfs/dbraw/zinc/52/18/59/523521859.db2.gz YIALUTIYSXOXCF-OAHLLOKOSA-N 1 2 299.374 1.810 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000151506257 523521866 /nfs/dbraw/zinc/52/18/66/523521866.db2.gz YIALUTIYSXOXCF-OAHLLOKOSA-N 1 2 299.374 1.810 20 30 CDEDLO C=CCNc1ncc(C(=O)N[C@H](C)Cn2cc[nH+]c2)s1 ZINC000269306312 534866188 /nfs/dbraw/zinc/86/61/88/534866188.db2.gz MGXVKAHWUHBKKV-SNVBAGLBSA-N 1 2 291.380 1.756 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNc1cnc(C#N)cn1)CCC2 ZINC000364910055 525939620 /nfs/dbraw/zinc/93/96/20/525939620.db2.gz FSTRWRMKOXOEIT-NSHDSACASA-N 1 2 268.324 1.843 20 30 CDEDLO C[C@H](c1ccco1)[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000069065064 526145475 /nfs/dbraw/zinc/14/54/75/526145475.db2.gz LVTKOOUVBNLJQS-CYBMUJFWSA-N 1 2 288.351 1.928 20 30 CDEDLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000069065064 526145481 /nfs/dbraw/zinc/14/54/81/526145481.db2.gz LVTKOOUVBNLJQS-CYBMUJFWSA-N 1 2 288.351 1.928 20 30 CDEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccco2)C(N)=O)cc1 ZINC000115594883 526688765 /nfs/dbraw/zinc/68/87/65/526688765.db2.gz RLXMXGFDWONMQS-CYBMUJFWSA-N 1 2 255.277 1.467 20 30 CDEDLO C=CCC1(C(=O)NCC[NH+]2CCN(C(C)=O)CC2)CCC1 ZINC000331875927 527053350 /nfs/dbraw/zinc/05/33/50/527053350.db2.gz MXOCCUYLQVMADB-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO CC1(CNC(=O)N2CCn3cc[nH+]c3C2)CCOCC1 ZINC000329148429 527900098 /nfs/dbraw/zinc/90/00/98/527900098.db2.gz YIQICEUENVSDSU-UHFFFAOYSA-N 1 2 278.356 1.429 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@]1(C)CCCOC1 ZINC000329143878 529131122 /nfs/dbraw/zinc/13/11/22/529131122.db2.gz MMJORGZKMMQBTD-HNNXBMFYSA-N 1 2 299.415 1.170 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)N[C@@]1(C)CCCOC1 ZINC000329143878 529131124 /nfs/dbraw/zinc/13/11/24/529131124.db2.gz MMJORGZKMMQBTD-HNNXBMFYSA-N 1 2 299.415 1.170 20 30 CDEDLO CC[C@@H](NC(=O)N1CCn2cc[nH+]c2C1)C1CCOCC1 ZINC000329964757 529265845 /nfs/dbraw/zinc/26/58/45/529265845.db2.gz UBRKMWPEKADSJS-CYBMUJFWSA-N 1 2 292.383 1.818 20 30 CDEDLO CC[C@@H](NC(=O)C1CN(C(C)=O)C1)c1[nH]cc[nH+]1 ZINC000329926239 529265868 /nfs/dbraw/zinc/26/58/68/529265868.db2.gz KLTLCDMHSOIUQB-SNVBAGLBSA-N 1 2 250.302 1.296 20 30 CDEDLO CCN1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1=O ZINC000190177109 535520602 /nfs/dbraw/zinc/52/06/02/535520602.db2.gz JKNPEEUIUCPVSG-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO CCN1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1=O ZINC000190177109 535520605 /nfs/dbraw/zinc/52/06/05/535520605.db2.gz JKNPEEUIUCPVSG-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO C[C@H](CNC(=O)c1ccnc(C2CC2)c1)[NH+]1CCOCC1 ZINC000329336147 538561372 /nfs/dbraw/zinc/56/13/72/538561372.db2.gz PAHYVMMYMLAGBM-GFCCVEGCSA-N 1 2 289.379 1.984 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCc2cccnc21 ZINC000329403741 538565269 /nfs/dbraw/zinc/56/52/69/538565269.db2.gz WUBFANUVKGKSQA-OCCSQVGLSA-N 1 2 289.379 1.789 20 30 CDEDLO Cc1ccc(N2CC[C@H]([NH2+][C@H](C)CC#N)C2=O)cc1 ZINC000743479380 574435563 /nfs/dbraw/zinc/43/55/63/574435563.db2.gz JNQOBKSUZQXLLB-OCCSQVGLSA-N 1 2 257.337 1.992 20 30 CDEDLO C#CCSCCNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000740487561 574633122 /nfs/dbraw/zinc/63/31/22/574633122.db2.gz ABKZDTIBIINGMT-CYBMUJFWSA-N 1 2 292.408 1.596 20 30 CDEDLO Cn1c(N=NCc2[nH]cc[nH+]2)nnc1-c1ccccc1 ZINC000731151860 575034797 /nfs/dbraw/zinc/03/47/97/575034797.db2.gz QSGKPCDOAYLCGU-UHFFFAOYSA-N 1 2 267.296 1.651 20 30 CDEDLO C#CCOC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000731248187 575042572 /nfs/dbraw/zinc/04/25/72/575042572.db2.gz GKKNLSCYIJSLSS-OAHLLOKOSA-N 1 2 273.332 1.361 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnc2onc(C)c2c1 ZINC000732065643 575077448 /nfs/dbraw/zinc/07/74/48/575077448.db2.gz SMXIEQKRPCDQSK-ZDUSSCGKSA-N 1 2 284.319 1.567 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnc2onc(C)c2c1 ZINC000732065643 575077449 /nfs/dbraw/zinc/07/74/49/575077449.db2.gz SMXIEQKRPCDQSK-ZDUSSCGKSA-N 1 2 284.319 1.567 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000732208625 575083482 /nfs/dbraw/zinc/08/34/82/575083482.db2.gz BAKAGELTEPMFOY-CPUCHLNUSA-N 1 2 286.375 1.586 20 30 CDEDLO C#CCNC(=O)C[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000732208625 575083483 /nfs/dbraw/zinc/08/34/83/575083483.db2.gz BAKAGELTEPMFOY-CPUCHLNUSA-N 1 2 286.375 1.586 20 30 CDEDLO CON=Cc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000733983232 575152053 /nfs/dbraw/zinc/15/20/53/575152053.db2.gz JUBFMFPHANOTJV-UHFFFAOYSA-N 1 2 284.319 1.561 20 30 CDEDLO C#CC[N@H+](CC#CC)C[C@@H](O)c1cc(OC)ccc1OC ZINC000743854735 576659024 /nfs/dbraw/zinc/65/90/24/576659024.db2.gz KKOQZTBLWJMHFD-MRXNPFEDSA-N 1 2 287.359 1.696 20 30 CDEDLO C#CC[N@@H+](CC#CC)C[C@@H](O)c1cc(OC)ccc1OC ZINC000743854735 576659026 /nfs/dbraw/zinc/65/90/26/576659026.db2.gz KKOQZTBLWJMHFD-MRXNPFEDSA-N 1 2 287.359 1.696 20 30 CDEDLO C#CCOc1ccccc1C[NH2+]Cc1nnnn1CC1CC1 ZINC000769931871 575398678 /nfs/dbraw/zinc/39/86/78/575398678.db2.gz DNOODDOYEJIINZ-UHFFFAOYSA-N 1 2 297.362 1.385 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000769978360 575405864 /nfs/dbraw/zinc/40/58/64/575405864.db2.gz XGVPQQDZYOZKCK-VIFPVBQESA-N 1 2 272.308 1.161 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000769978360 575405865 /nfs/dbraw/zinc/40/58/65/575405865.db2.gz XGVPQQDZYOZKCK-VIFPVBQESA-N 1 2 272.308 1.161 20 30 CDEDLO C[C@@H](C#N)CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000770796571 575499478 /nfs/dbraw/zinc/49/94/78/575499478.db2.gz MZCODARYVSYMDW-NWDGAFQWSA-N 1 2 275.356 1.469 20 30 CDEDLO NC(=[NH+]OCc1nnc(C2CC2)o1)c1ccc(F)cc1 ZINC000735919884 575534860 /nfs/dbraw/zinc/53/48/60/575534860.db2.gz WOKGSAFEMSMODG-UHFFFAOYSA-N 1 2 276.271 1.923 20 30 CDEDLO C=C(C)CNC(=S)NNc1cc(C)[nH+]c(C)n1 ZINC000735990453 575547026 /nfs/dbraw/zinc/54/70/26/575547026.db2.gz YPDRNKJZDLMYPA-UHFFFAOYSA-N 1 2 251.359 1.461 20 30 CDEDLO CON=CC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000773737751 575837180 /nfs/dbraw/zinc/83/71/80/575837180.db2.gz UHHXMGUZAYUXEK-CYBMUJFWSA-N 1 2 290.298 1.397 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)/C=C\c1ccccc1C#N ZINC000773851507 575841430 /nfs/dbraw/zinc/84/14/30/575841430.db2.gz GKHFOKWAAHBKDT-SREVYHEPSA-N 1 2 280.331 1.664 20 30 CDEDLO Cn1c2ccccc2nc1N[NH+]=Cc1cccnc1N ZINC000764684496 575934003 /nfs/dbraw/zinc/93/40/03/575934003.db2.gz YSVAFGYIFQYERB-UHFFFAOYSA-N 1 2 266.308 1.997 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]NCc1ccc(Cl)cc1 ZINC000764719133 575937815 /nfs/dbraw/zinc/93/78/15/575937815.db2.gz TYAHFLMNTILCGM-UHFFFAOYSA-N 1 2 291.742 1.845 20 30 CDEDLO N#CC1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000740867806 576519989 /nfs/dbraw/zinc/51/99/89/576519989.db2.gz AQZFBIBDEVHOAC-UHFFFAOYSA-N 1 2 254.297 1.402 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1nc([C@H](C)OCC)no1 ZINC000761113653 576550285 /nfs/dbraw/zinc/55/02/85/576550285.db2.gz HVHHMVMULGUQAV-NSHDSACASA-N 1 2 267.329 1.249 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1nc([C@H](C)OCC)no1 ZINC000761113653 576550288 /nfs/dbraw/zinc/55/02/88/576550288.db2.gz HVHHMVMULGUQAV-NSHDSACASA-N 1 2 267.329 1.249 20 30 CDEDLO C[C@H]1CC(=NNS(=O)(=O)CCc2ccccc2)C[N@@H+]1C ZINC000761812717 576594778 /nfs/dbraw/zinc/59/47/78/576594778.db2.gz NJYAXJVXJGAPDV-LBPRGKRZSA-N 1 2 295.408 1.229 20 30 CDEDLO C[C@H]1CC(=NNS(=O)(=O)CCc2ccccc2)C[N@H+]1C ZINC000761812717 576594780 /nfs/dbraw/zinc/59/47/80/576594780.db2.gz NJYAXJVXJGAPDV-LBPRGKRZSA-N 1 2 295.408 1.229 20 30 CDEDLO C[C@@H]1CC(=NNS(=O)(=O)Cc2ccccc2)C[N@@H+]1C ZINC000761812449 576594854 /nfs/dbraw/zinc/59/48/54/576594854.db2.gz QXHXPGJITXSJDH-LLVKDONJSA-N 1 2 281.381 1.186 20 30 CDEDLO C[C@@H]1CC(=NNS(=O)(=O)Cc2ccccc2)C[N@H+]1C ZINC000761812449 576594855 /nfs/dbraw/zinc/59/48/55/576594855.db2.gz QXHXPGJITXSJDH-LLVKDONJSA-N 1 2 281.381 1.186 20 30 CDEDLO c1cc2n(c1)CCC2N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761854853 576598218 /nfs/dbraw/zinc/59/82/18/576598218.db2.gz IBFHDGVSZNYSEX-UHFFFAOYSA-N 1 2 279.307 1.684 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Cc2c(C)cccc2Cl)CC1 ZINC000754183443 576883534 /nfs/dbraw/zinc/88/35/34/576883534.db2.gz JWDNLZZLLWXHGX-UHFFFAOYSA-N 1 2 290.794 1.968 20 30 CDEDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2cccc(C#N)c2)C1 ZINC000748462806 576913933 /nfs/dbraw/zinc/91/39/33/576913933.db2.gz YIQKCSBEHPVCIL-AWEZNQCLSA-N 1 2 274.320 1.322 20 30 CDEDLO CC[N@H+]1CCO[C@H](C(=O)OCc2cccc(C#N)c2)C1 ZINC000748462806 576913934 /nfs/dbraw/zinc/91/39/34/576913934.db2.gz YIQKCSBEHPVCIL-AWEZNQCLSA-N 1 2 274.320 1.322 20 30 CDEDLO Cc1ccc(S(=O)(=O)NN=Cc2c[nH+]cn2C)cc1 ZINC000755468469 576946150 /nfs/dbraw/zinc/94/61/50/576946150.db2.gz UCPXPSSEUGOVJK-UHFFFAOYSA-N 1 2 278.337 1.041 20 30 CDEDLO CCCCC1N=NC(=S)N1N=Cc1c[nH+]cn1C ZINC000755510708 576947734 /nfs/dbraw/zinc/94/77/34/576947734.db2.gz JVWRFAVSBWXFBC-UHFFFAOYSA-N 1 2 264.358 1.525 20 30 CDEDLO Cc1cccn2c(C=NNC(=S)NC3CC3)c[nH+]c12 ZINC000755526157 576948743 /nfs/dbraw/zinc/94/87/43/576948743.db2.gz ZBPRTZSIOMXRII-UHFFFAOYSA-N 1 2 273.365 1.603 20 30 CDEDLO Cc1[nH]c[nH+]c1C=NN1C(=O)NC2(CCCCC2)C1=O ZINC000755544374 576949239 /nfs/dbraw/zinc/94/92/39/576949239.db2.gz PDVIJGBDTBOGJQ-UHFFFAOYSA-N 1 2 275.312 1.307 20 30 CDEDLO Cc1ccc2[nH+]cc(C=NNC(=S)N(C)C)n2c1 ZINC000755708563 576956631 /nfs/dbraw/zinc/95/66/31/576956631.db2.gz FEVKSCJLXHPVFL-UHFFFAOYSA-N 1 2 261.354 1.413 20 30 CDEDLO CC[N@@H+](Cc1ccccn1)Cn1cccc(C#N)c1=O ZINC000758239304 577088403 /nfs/dbraw/zinc/08/84/03/577088403.db2.gz XWCPRMLQJBDTPC-UHFFFAOYSA-N 1 2 268.320 1.595 20 30 CDEDLO CC[N@H+](Cc1ccccn1)Cn1cccc(C#N)c1=O ZINC000758239304 577088404 /nfs/dbraw/zinc/08/84/04/577088404.db2.gz XWCPRMLQJBDTPC-UHFFFAOYSA-N 1 2 268.320 1.595 20 30 CDEDLO Cn1c[nH+]cc1COC(=O)CCc1ccc(C#N)cc1 ZINC000753148718 577149128 /nfs/dbraw/zinc/14/91/28/577149128.db2.gz YJARFMUEADVNRO-UHFFFAOYSA-N 1 2 269.304 1.968 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2c(C)[nH]nc2C(C)C)CC1 ZINC000957117499 613010507 /nfs/dbraw/zinc/01/05/07/613010507.db2.gz QKEDHCNBWWLZKK-UHFFFAOYSA-N 1 2 288.395 1.623 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2c(C)n[nH]c2C(C)C)CC1 ZINC000957117499 613010509 /nfs/dbraw/zinc/01/05/09/613010509.db2.gz QKEDHCNBWWLZKK-UHFFFAOYSA-N 1 2 288.395 1.623 20 30 CDEDLO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC000972303759 613084913 /nfs/dbraw/zinc/08/49/13/613084913.db2.gz KXHLXVSXYXIODM-SECBINFHSA-N 1 2 282.294 1.127 20 30 CDEDLO C#CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC000972303759 613084915 /nfs/dbraw/zinc/08/49/15/613084915.db2.gz KXHLXVSXYXIODM-SECBINFHSA-N 1 2 282.294 1.127 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CCCCC3)C2)C1 ZINC000972231428 613210811 /nfs/dbraw/zinc/21/08/11/613210811.db2.gz SFPKGPNEZCFGKE-KRWDZBQOSA-N 1 2 290.407 1.503 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CCCCC3)C2)C1 ZINC000972231428 613210814 /nfs/dbraw/zinc/21/08/14/613210814.db2.gz SFPKGPNEZCFGKE-KRWDZBQOSA-N 1 2 290.407 1.503 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)C(C)C)C2)C1 ZINC000972394887 613211911 /nfs/dbraw/zinc/21/19/11/613211911.db2.gz SEZCMVDBTIHMGQ-QGZVFWFLSA-N 1 2 292.423 1.605 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)C(C)C)C2)C1 ZINC000972394887 613211912 /nfs/dbraw/zinc/21/19/12/613211912.db2.gz SEZCMVDBTIHMGQ-QGZVFWFLSA-N 1 2 292.423 1.605 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2n[nH]c(C)c2C)C1 ZINC000949800548 613297341 /nfs/dbraw/zinc/29/73/41/613297341.db2.gz MPWZVAIOXHDGLM-UHFFFAOYSA-N 1 2 276.384 1.749 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2cc(OC)ns2)C(C)(C)C1 ZINC000974599298 613299698 /nfs/dbraw/zinc/29/96/98/613299698.db2.gz XNUNIAHTEUUUAB-NSHDSACASA-N 1 2 293.392 1.225 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2cc(OC)ns2)C(C)(C)C1 ZINC000974599298 613299699 /nfs/dbraw/zinc/29/96/99/613299699.db2.gz XNUNIAHTEUUUAB-NSHDSACASA-N 1 2 293.392 1.225 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2c(C)nn(C)c2C)CC1 ZINC000949545711 613320204 /nfs/dbraw/zinc/32/02/04/613320204.db2.gz RYDZWFJUNBZQEJ-UHFFFAOYSA-N 1 2 276.384 1.371 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc3nonc3c2)CC1 ZINC000949990117 613321095 /nfs/dbraw/zinc/32/10/95/613321095.db2.gz ONCVGRBYMUHVQL-UHFFFAOYSA-N 1 2 286.335 1.557 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc(N(C)C)nc2)CC1 ZINC000949035564 613321105 /nfs/dbraw/zinc/32/11/05/613321105.db2.gz NSLQASMJMJBIPL-UHFFFAOYSA-N 1 2 288.395 1.482 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnc3ccccn23)CC1 ZINC000948999335 613321869 /nfs/dbraw/zinc/32/18/69/613321869.db2.gz QJDWLPDZBQRFPO-UHFFFAOYSA-N 1 2 284.363 1.668 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cncnc2C2CC2)CC1 ZINC000957506476 613321911 /nfs/dbraw/zinc/32/19/11/613321911.db2.gz NUYLSBLFHCBPLQ-UHFFFAOYSA-N 1 2 286.379 1.688 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC000968258004 613334551 /nfs/dbraw/zinc/33/45/51/613334551.db2.gz XXBLZSNEOPBITI-CMPLNLGQSA-N 1 2 280.347 1.565 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC000968258004 613334552 /nfs/dbraw/zinc/33/45/52/613334552.db2.gz XXBLZSNEOPBITI-CMPLNLGQSA-N 1 2 280.347 1.565 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2coc(OC)n2)C1 ZINC000970220436 613371927 /nfs/dbraw/zinc/37/19/27/613371927.db2.gz LTAJDKCJFHURCI-SECBINFHSA-N 1 2 299.758 1.486 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc[nH]c2)C1 ZINC000969724884 613372317 /nfs/dbraw/zinc/37/23/17/613372317.db2.gz IPOSJLZPJGHBJC-JTQLQIEISA-N 1 2 267.760 1.817 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C)CC1 ZINC000968188020 613410789 /nfs/dbraw/zinc/41/07/89/613410789.db2.gz ASBBBQFROBZPPG-GXTWGEPZSA-N 1 2 293.411 1.045 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C)CC1 ZINC000968188020 613410790 /nfs/dbraw/zinc/41/07/90/613410790.db2.gz ASBBBQFROBZPPG-GXTWGEPZSA-N 1 2 293.411 1.045 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+](Cc2ccnn2C)CC1 ZINC000981750410 613431837 /nfs/dbraw/zinc/43/18/37/613431837.db2.gz ATHMJCZDWONEKP-UHFFFAOYSA-N 1 2 290.411 1.667 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCC[N@H+](Cc2ccnn2C)CC1 ZINC000981750410 613431839 /nfs/dbraw/zinc/43/18/39/613431839.db2.gz ATHMJCZDWONEKP-UHFFFAOYSA-N 1 2 290.411 1.667 20 30 CDEDLO COc1cc(C#N)ccc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000932827714 617370093 /nfs/dbraw/zinc/37/00/93/617370093.db2.gz WYXFGVZDIPFNCT-UHFFFAOYSA-N 1 2 282.303 1.460 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CC[C@H]2CC(C)(C)CO2)CC1 ZINC000957459646 613561746 /nfs/dbraw/zinc/56/17/46/613561746.db2.gz VQJAZVWNOIHDBU-HNNXBMFYSA-N 1 2 292.423 1.749 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCc3cn[nH]c32)C1 ZINC000950097427 613654410 /nfs/dbraw/zinc/65/44/10/613654410.db2.gz PICTVXDZYOEWIX-CQSZACIVSA-N 1 2 288.395 1.548 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CC[C@@H](F)C2)C1 ZINC000951387709 613655388 /nfs/dbraw/zinc/65/53/88/613655388.db2.gz WEPOAKFMZRGURY-NWDGAFQWSA-N 1 2 254.349 1.843 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCCO[C@@H]2CC)C1 ZINC000950489537 613655492 /nfs/dbraw/zinc/65/54/92/613655492.db2.gz AIONUPLHSLITLT-LSDHHAIUSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cncc3ncn(C)c32)C1 ZINC000950540264 613658920 /nfs/dbraw/zinc/65/89/20/613658920.db2.gz QDQQPTFRQNYTQV-UHFFFAOYSA-N 1 2 299.378 1.301 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CC[C@@H]2CC[C@H](C)O2)CC1 ZINC000957727819 613707343 /nfs/dbraw/zinc/70/73/43/613707343.db2.gz PVGIXCKTAMQLTF-KBPBESRZSA-N 1 2 266.385 1.664 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CO[C@H]2CCC[C@@H](C)C2)CC1 ZINC000951122969 613707925 /nfs/dbraw/zinc/70/79/25/613707925.db2.gz OKNBYFVACFOSMA-CABCVRRESA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2CCO[C@@H](CC)C2)CC1 ZINC000957106970 613708870 /nfs/dbraw/zinc/70/88/70/613708870.db2.gz IWTQKIIDZKTPRZ-CABCVRRESA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2CCOC[C@@H]2OCC)CC1 ZINC000949354393 613709370 /nfs/dbraw/zinc/70/93/70/613709370.db2.gz YODAWMGVZYAGJJ-CABCVRRESA-N 1 2 296.411 1.148 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ncccc2F)CC1 ZINC000949862494 613710133 /nfs/dbraw/zinc/71/01/33/613710133.db2.gz DUCYKGILHDCYDG-UHFFFAOYSA-N 1 2 263.316 1.093 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC000948664738 613712665 /nfs/dbraw/zinc/71/26/65/613712665.db2.gz HPNCUZUVJAOHLS-NSHDSACASA-N 1 2 258.312 1.752 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)n(C)c2C)CC1 ZINC000957595706 613714475 /nfs/dbraw/zinc/71/44/75/613714475.db2.gz KNVGTMAHLLIWQP-UHFFFAOYSA-N 1 2 261.369 1.586 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C)nc2OCC)CC1 ZINC000956964158 613715636 /nfs/dbraw/zinc/71/56/36/613715636.db2.gz HSUGPCFNSLGJJJ-UHFFFAOYSA-N 1 2 289.379 1.733 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3c(c2)COC3)CC1 ZINC000951718062 613716187 /nfs/dbraw/zinc/71/61/87/613716187.db2.gz IHKNRIRTUCWUNB-UHFFFAOYSA-N 1 2 272.348 1.661 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)C3CC3)C2)C1 ZINC000972319502 613723792 /nfs/dbraw/zinc/72/37/92/613723792.db2.gz LIOSHRBYWIWOLS-BBRMVZONSA-N 1 2 278.396 1.522 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)C3CC3)C2)C1 ZINC000972319502 613723796 /nfs/dbraw/zinc/72/37/96/613723796.db2.gz LIOSHRBYWIWOLS-BBRMVZONSA-N 1 2 278.396 1.522 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCCO3)C2)C1 ZINC000972345822 613723842 /nfs/dbraw/zinc/72/38/42/613723842.db2.gz IXCXZVWAPAPHAH-HOCLYGCPSA-N 1 2 294.395 1.045 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCCO3)C2)C1 ZINC000972345822 613723843 /nfs/dbraw/zinc/72/38/43/613723843.db2.gz IXCXZVWAPAPHAH-HOCLYGCPSA-N 1 2 294.395 1.045 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C3CC3)C2)C1 ZINC000972319504 613726271 /nfs/dbraw/zinc/72/62/71/613726271.db2.gz LIOSHRBYWIWOLS-CZUORRHYSA-N 1 2 278.396 1.522 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C3CC3)C2)C1 ZINC000972319504 613726274 /nfs/dbraw/zinc/72/62/74/613726274.db2.gz LIOSHRBYWIWOLS-CZUORRHYSA-N 1 2 278.396 1.522 20 30 CDEDLO C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC000968630852 613769470 /nfs/dbraw/zinc/76/94/70/613769470.db2.gz CIBMJPIZKARKKA-NHYWBVRUSA-N 1 2 299.378 1.584 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC000968630852 613769473 /nfs/dbraw/zinc/76/94/73/613769473.db2.gz CIBMJPIZKARKKA-NHYWBVRUSA-N 1 2 299.378 1.584 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1ccc2oc(=O)oc2c1 ZINC000894033246 618251089 /nfs/dbraw/zinc/25/10/89/618251089.db2.gz CDZWYFVRVUUDBE-UHFFFAOYSA-N 1 2 255.273 1.845 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1ccc2oc(=O)oc2c1 ZINC000894033246 618251092 /nfs/dbraw/zinc/25/10/92/618251092.db2.gz CDZWYFVRVUUDBE-UHFFFAOYSA-N 1 2 255.273 1.845 20 30 CDEDLO Cc1ncoc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000894093629 618383216 /nfs/dbraw/zinc/38/32/16/618383216.db2.gz GLXPMZJHNIOEIT-LLVKDONJSA-N 1 2 298.350 1.355 20 30 CDEDLO Cc1ncoc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000894093629 618383221 /nfs/dbraw/zinc/38/32/21/618383221.db2.gz GLXPMZJHNIOEIT-LLVKDONJSA-N 1 2 298.350 1.355 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(F)cc2C)C1=O ZINC000894230411 618739519 /nfs/dbraw/zinc/73/95/19/618739519.db2.gz FUYDIMVXKAVQLD-CYBMUJFWSA-N 1 2 277.343 1.748 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(F)cc2C)C1=O ZINC000894230411 618739521 /nfs/dbraw/zinc/73/95/21/618739521.db2.gz FUYDIMVXKAVQLD-CYBMUJFWSA-N 1 2 277.343 1.748 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2ccn(-c3ccccc3)n2)CCCN1O ZINC000895161106 619379746 /nfs/dbraw/zinc/37/97/46/619379746.db2.gz DWIZRMNKUHGVCH-AWEZNQCLSA-N 1 2 286.335 1.342 20 30 CDEDLO N#Cc1cnc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)s1 ZINC000896485271 620107855 /nfs/dbraw/zinc/10/78/55/620107855.db2.gz XWVXXFGDTTYPSW-MRVPVSSYSA-N 1 2 273.321 1.412 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)C#Cc1ccccc1 ZINC000928642955 620297897 /nfs/dbraw/zinc/29/78/97/620297897.db2.gz XJYYFSGCGVLUSZ-INIZCTEOSA-N 1 2 286.375 1.265 20 30 CDEDLO C=CCC1(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)CCOCC1 ZINC000898502582 621777072 /nfs/dbraw/zinc/77/70/72/621777072.db2.gz GDLSAPCGNLMGQI-AWEZNQCLSA-N 1 2 298.402 1.909 20 30 CDEDLO C=CCC1(C(=O)N[C@H]2CCC[N@H+](CCF)C2)CCOCC1 ZINC000898502582 621777076 /nfs/dbraw/zinc/77/70/76/621777076.db2.gz GDLSAPCGNLMGQI-AWEZNQCLSA-N 1 2 298.402 1.909 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2c(C)[nH]nc2Cl)CC1 ZINC000900475357 623149892 /nfs/dbraw/zinc/14/98/92/623149892.db2.gz YUVINCBKHFVSEU-UHFFFAOYSA-N 1 2 280.759 1.153 20 30 CDEDLO C#CC(C)(C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000900702469 623386845 /nfs/dbraw/zinc/38/68/45/623386845.db2.gz CEEFHSUWAKJBGI-GFCCVEGCSA-N 1 2 260.341 1.318 20 30 CDEDLO C#CC(C)(C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000900702469 623386852 /nfs/dbraw/zinc/38/68/52/623386852.db2.gz CEEFHSUWAKJBGI-GFCCVEGCSA-N 1 2 260.341 1.318 20 30 CDEDLO CCn1c[nH+]cc1/C=C/C(=O)c1cn(C(C)C)nn1 ZINC000901530710 624319094 /nfs/dbraw/zinc/31/90/94/624319094.db2.gz QMKXTRHWVVMCIG-AATRIKPKSA-N 1 2 259.313 1.972 20 30 CDEDLO CC(C)(CNC(=O)c1ccsc1C#N)[NH+]1CCOCC1 ZINC000905206922 626691966 /nfs/dbraw/zinc/69/19/66/626691966.db2.gz DPKZBQKTHSAEPC-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO C#CC[N@H+](CN1C(=O)C(C)(C)[C@@H]1c1cnn(C)c1)C(C)C ZINC000905750744 626945231 /nfs/dbraw/zinc/94/52/31/626945231.db2.gz YHXYXIFZFWJNAD-AWEZNQCLSA-N 1 2 288.395 1.631 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)C(C)(C)[C@@H]1c1cnn(C)c1)C(C)C ZINC000905750744 626945235 /nfs/dbraw/zinc/94/52/35/626945235.db2.gz YHXYXIFZFWJNAD-AWEZNQCLSA-N 1 2 288.395 1.631 20 30 CDEDLO Cc1n[nH]c(C(F)(F)F)c1C(=O)NCC#CC[NH+](C)C ZINC000913519193 630523790 /nfs/dbraw/zinc/52/37/90/630523790.db2.gz RKLFTNLKPPYDFC-UHFFFAOYSA-N 1 2 288.273 1.032 20 30 CDEDLO CCOc1ccc(/C=N/[C@H](C)C[NH+]2CCOCC2)c(O)c1 ZINC000915978218 631877753 /nfs/dbraw/zinc/87/77/53/631877753.db2.gz CMIKDUHTLNZUCB-VVBXCHJUSA-N 1 2 292.379 1.931 20 30 CDEDLO C[C@H](C#N)C(=O)NC1[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@@H]12 ZINC001114066828 1162411622 /nfs/dbraw/zinc/41/16/22/1162411622.db2.gz ITZANXGPJRNVIM-ZIHYNEBNSA-N 1 2 288.178 1.511 20 30 CDEDLO C[C@H](C#N)C(=O)NC1[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@@H]12 ZINC001114066828 1162411624 /nfs/dbraw/zinc/41/16/24/1162411624.db2.gz ITZANXGPJRNVIM-ZIHYNEBNSA-N 1 2 288.178 1.511 20 30 CDEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CCCCCC#N ZINC000807282137 1162745350 /nfs/dbraw/zinc/74/53/50/1162745350.db2.gz FDKMXTTZBUGXCI-LBPRGKRZSA-N 1 2 292.339 1.015 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](CC(C)C)OC)CC1 ZINC001113321060 1162153776 /nfs/dbraw/zinc/15/37/76/1162153776.db2.gz UWMFQHQWKQIPSD-CQSZACIVSA-N 1 2 268.401 1.768 20 30 CDEDLO Cc1nc(N(C)[C@@H](C)CNC(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001113585570 1162229365 /nfs/dbraw/zinc/22/93/65/1162229365.db2.gz HJBJJVMQCUMBHU-LBPRGKRZSA-N 1 2 288.395 1.775 20 30 CDEDLO C=CCCOCC(=O)N1CC[NH+](CCOC2CCC2)CC1 ZINC001113709093 1162263054 /nfs/dbraw/zinc/26/30/54/1162263054.db2.gz HFDHBMDCHPEWBN-UHFFFAOYSA-N 1 2 296.411 1.292 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001132308760 1163238434 /nfs/dbraw/zinc/23/84/34/1163238434.db2.gz RLDQNSPIYNMINU-JTQLQIEISA-N 1 2 280.372 1.747 20 30 CDEDLO CCc1[nH]c(CNC(=O)c2cccc(C#N)n2)c[nH+]1 ZINC001639092827 1166896822 /nfs/dbraw/zinc/89/68/22/1166896822.db2.gz CRTXORKBUXTXSX-UHFFFAOYSA-N 1 2 255.281 1.169 20 30 CDEDLO CCc1[nH]cc(CNC(=O)c2cccc(C#N)n2)[nH+]1 ZINC001639092827 1166896830 /nfs/dbraw/zinc/89/68/30/1166896830.db2.gz CRTXORKBUXTXSX-UHFFFAOYSA-N 1 2 255.281 1.169 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001646098053 1167646771 /nfs/dbraw/zinc/64/67/71/1167646771.db2.gz RJAMSFJUGZTNFQ-INIZCTEOSA-N 1 2 292.427 1.165 20 30 CDEDLO N#Cc1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](c3cnn[nH]3)C2)c1 ZINC001577717744 1171728650 /nfs/dbraw/zinc/72/86/50/1171728650.db2.gz PFNRBAWQHUSDEF-ZBFHGGJFSA-N 1 2 297.362 1.589 20 30 CDEDLO N#Cc1cccc([C@@H](O)C[N@H+]2CCC[C@@H](c3cnn[nH]3)C2)c1 ZINC001577717744 1171728653 /nfs/dbraw/zinc/72/86/53/1171728653.db2.gz PFNRBAWQHUSDEF-ZBFHGGJFSA-N 1 2 297.362 1.589 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1CC[C@@H]1CCc2ccccc21 ZINC001580045242 1172332762 /nfs/dbraw/zinc/33/27/62/1172332762.db2.gz RAIPZGLNFHLLTG-LSDHHAIUSA-N 1 2 255.365 1.904 20 30 CDEDLO C=CC[N@H+](Cc1nc(-c2nn[nH]n2)cs1)C(C)C ZINC001588653276 1173094518 /nfs/dbraw/zinc/09/45/18/1173094518.db2.gz ASYYKRCMYBDBKY-UHFFFAOYSA-N 1 2 264.358 1.720 20 30 CDEDLO C=CC[N@@H+](Cc1nc(-c2nn[nH]n2)cs1)C(C)C ZINC001588653276 1173094524 /nfs/dbraw/zinc/09/45/24/1173094524.db2.gz ASYYKRCMYBDBKY-UHFFFAOYSA-N 1 2 264.358 1.720 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](Cc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001588934194 1173114634 /nfs/dbraw/zinc/11/46/34/1173114634.db2.gz FXHLMCZJPMGZOE-JTQLQIEISA-N 1 2 283.339 1.386 20 30 CDEDLO C[N@H+](Cc1cccc(-c2nn[nH]n2)n1)CC(C)(C)C#N ZINC001591146298 1173576684 /nfs/dbraw/zinc/57/66/84/1173576684.db2.gz SELNEPWZDFGBEF-UHFFFAOYSA-N 1 2 271.328 1.243 20 30 CDEDLO C[N@@H+](Cc1cccc(-c2nn[nH]n2)n1)CC(C)(C)C#N ZINC001591146298 1173576688 /nfs/dbraw/zinc/57/66/88/1173576688.db2.gz SELNEPWZDFGBEF-UHFFFAOYSA-N 1 2 271.328 1.243 20 30 CDEDLO O=C1C(=Cc2[nH]cc[nH+]2)CCc2cc(-c3nn[nH]n3)cnc21 ZINC001593379358 1174073136 /nfs/dbraw/zinc/07/31/36/1174073136.db2.gz CWOSJXXKYXPSOX-TWGQIWQCSA-N 1 2 293.290 1.197 20 30 CDEDLO COc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1OCC(N)=O ZINC000132287573 1175790771 /nfs/dbraw/zinc/79/07/71/1175790771.db2.gz QYQGVRKIWMMGPC-LLVKDONJSA-N 1 2 291.351 1.293 20 30 CDEDLO COc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1OCC(N)=O ZINC000132287573 1175790776 /nfs/dbraw/zinc/79/07/76/1175790776.db2.gz QYQGVRKIWMMGPC-LLVKDONJSA-N 1 2 291.351 1.293 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(C)(CC)CC)C1 ZINC001698553851 1175836984 /nfs/dbraw/zinc/83/69/84/1175836984.db2.gz POSNIDMSMBWGLP-CYBMUJFWSA-N 1 2 295.427 1.305 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(CC)CC)C1 ZINC001698553851 1175836987 /nfs/dbraw/zinc/83/69/87/1175836987.db2.gz POSNIDMSMBWGLP-CYBMUJFWSA-N 1 2 295.427 1.305 20 30 CDEDLO C=CCOCC[N@H+]1CC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001731372322 1182342499 /nfs/dbraw/zinc/34/24/99/1182342499.db2.gz KHYRTWKTUVMUSX-NXEZZACHSA-N 1 2 298.280 1.280 20 30 CDEDLO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001731372322 1182342506 /nfs/dbraw/zinc/34/25/06/1182342506.db2.gz KHYRTWKTUVMUSX-NXEZZACHSA-N 1 2 298.280 1.280 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)CC[NH+]1CCN(CCF)CC1 ZINC001753341809 1183980563 /nfs/dbraw/zinc/98/05/63/1183980563.db2.gz HYCPGFPEPWLQCB-UHFFFAOYSA-N 1 2 299.434 1.634 20 30 CDEDLO CC#CCCCC(=O)NC[C@H](C)[NH2+]Cc1nnc(CC)o1 ZINC001752892770 1184953113 /nfs/dbraw/zinc/95/31/13/1184953113.db2.gz JZSXLQIPHXRCCF-LBPRGKRZSA-N 1 2 292.383 1.420 20 30 CDEDLO CCC(C)(C)CC(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001753342715 1185162820 /nfs/dbraw/zinc/16/28/20/1185162820.db2.gz ZJSUFGCLHNJIER-UHFFFAOYSA-N 1 2 294.443 1.412 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](CCC)OCC)C1 ZINC001753385157 1185179580 /nfs/dbraw/zinc/17/95/80/1185179580.db2.gz KQJMTLXWALSCNJ-ZDUSSCGKSA-N 1 2 254.374 1.568 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)CCn2cc(Cl)cn2)C1 ZINC001753395842 1185183965 /nfs/dbraw/zinc/18/39/65/1185183965.db2.gz WBULZTQXDOACHF-UHFFFAOYSA-N 1 2 282.775 1.303 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)CC[C@H]2CC[C@@H](C)O2)C1 ZINC001753400487 1185187848 /nfs/dbraw/zinc/18/78/48/1185187848.db2.gz ZSIOWDDJOWONSE-DGCLKSJQSA-N 1 2 252.358 1.321 20 30 CDEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@H+](CCOCC)CCO1 ZINC001753653685 1185288398 /nfs/dbraw/zinc/28/83/98/1185288398.db2.gz GBYLYVNPYIZOQG-CQSZACIVSA-N 1 2 298.427 1.442 20 30 CDEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@@H+](CCOCC)CCO1 ZINC001753653685 1185288402 /nfs/dbraw/zinc/28/84/02/1185288402.db2.gz GBYLYVNPYIZOQG-CQSZACIVSA-N 1 2 298.427 1.442 20 30 CDEDLO C#CCCCC(=O)N(C)CC[N@H+](C)Cc1cnc(C)cn1 ZINC001753852026 1185361155 /nfs/dbraw/zinc/36/11/55/1185361155.db2.gz YJJPDDUGKVJXOR-UHFFFAOYSA-N 1 2 288.395 1.479 20 30 CDEDLO C#CCCCC(=O)N(C)CC[N@@H+](C)Cc1cnc(C)cn1 ZINC001753852026 1185361160 /nfs/dbraw/zinc/36/11/60/1185361160.db2.gz YJJPDDUGKVJXOR-UHFFFAOYSA-N 1 2 288.395 1.479 20 30 CDEDLO C=Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2CC#CCOC)cc1 ZINC001754493448 1185640486 /nfs/dbraw/zinc/64/04/86/1185640486.db2.gz AXMBQNNDYLBMON-QGZVFWFLSA-N 1 2 298.386 1.784 20 30 CDEDLO C=Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2CC#CCOC)cc1 ZINC001754493448 1185640488 /nfs/dbraw/zinc/64/04/88/1185640488.db2.gz AXMBQNNDYLBMON-QGZVFWFLSA-N 1 2 298.386 1.784 20 30 CDEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)CCc1ccco1 ZINC001754963661 1185770961 /nfs/dbraw/zinc/77/09/61/1185770961.db2.gz MDANAQXUEBZVNP-AWEZNQCLSA-N 1 2 290.363 1.053 20 30 CDEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)CCc1ccco1 ZINC001754963661 1185770963 /nfs/dbraw/zinc/77/09/63/1185770963.db2.gz MDANAQXUEBZVNP-AWEZNQCLSA-N 1 2 290.363 1.053 20 30 CDEDLO C=CCC1(C(=O)NC[C@H]2COCC[N@H+]2CCC)CCC1 ZINC001754970917 1185774361 /nfs/dbraw/zinc/77/43/61/1185774361.db2.gz CLQGGQWZCATRHS-AWEZNQCLSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CCC1(C(=O)NC[C@H]2COCC[N@@H+]2CCC)CCC1 ZINC001754970917 1185774365 /nfs/dbraw/zinc/77/43/65/1185774365.db2.gz CLQGGQWZCATRHS-AWEZNQCLSA-N 1 2 280.412 1.960 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)CCC(=C)C)CO2 ZINC001755061353 1185803479 /nfs/dbraw/zinc/80/34/79/1185803479.db2.gz JLSYECURQUGDQR-AWEZNQCLSA-N 1 2 276.380 1.326 20 30 CDEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCC3(C)CC3)CC2)C1 ZINC001755145816 1185829209 /nfs/dbraw/zinc/82/92/09/1185829209.db2.gz CUELHNVUSCWENP-UHFFFAOYSA-N 1 2 289.423 1.028 20 30 CDEDLO C=CC[NH+]1CCN(c2nc(SC)ncc2OC)CC1 ZINC001165033343 721863959 /nfs/dbraw/zinc/86/39/59/721863959.db2.gz KJLGDKHTVOOTBJ-UHFFFAOYSA-N 1 2 280.397 1.515 20 30 CDEDLO C=CC[NH+]1CCN(c2nc(Cl)nc(SC)n2)CC1 ZINC001165031414 721865469 /nfs/dbraw/zinc/86/54/69/721865469.db2.gz IHOSWQRIONMVMH-UHFFFAOYSA-N 1 2 285.804 1.555 20 30 CDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000853620866 777813490 /nfs/dbraw/zinc/81/34/90/777813490.db2.gz HTKJXRXLFFAVIN-CQSZACIVSA-N 1 2 278.396 1.563 20 30 CDEDLO C#CCC[N@H+](CCOC)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000853620866 777813491 /nfs/dbraw/zinc/81/34/91/777813491.db2.gz HTKJXRXLFFAVIN-CQSZACIVSA-N 1 2 278.396 1.563 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc3nc[nH]c32)C1 ZINC001046719641 773802014 /nfs/dbraw/zinc/80/20/14/773802014.db2.gz NLLMSXPBJQGEMT-QGZVFWFLSA-N 1 2 296.374 1.780 20 30 CDEDLO CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2cccc3nc[nH]c32)C1 ZINC001046719641 773802016 /nfs/dbraw/zinc/80/20/16/773802016.db2.gz NLLMSXPBJQGEMT-QGZVFWFLSA-N 1 2 296.374 1.780 20 30 CDEDLO C#CCNC(=O)C[N@@H+](C)Cc1ccccc1SC ZINC000791599139 773863882 /nfs/dbraw/zinc/86/38/82/773863882.db2.gz BYTJRJQXPVHADV-UHFFFAOYSA-N 1 2 262.378 1.590 20 30 CDEDLO C#CCNC(=O)C[N@H+](C)Cc1ccccc1SC ZINC000791599139 773863884 /nfs/dbraw/zinc/86/38/84/773863884.db2.gz BYTJRJQXPVHADV-UHFFFAOYSA-N 1 2 262.378 1.590 20 30 CDEDLO C#CCCN(CCOC)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000854180842 773884266 /nfs/dbraw/zinc/88/42/66/773884266.db2.gz QQKHEGYSFXFXTO-UHFFFAOYSA-N 1 2 289.379 1.880 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3CC[C@@H](NCC#N)[C@@H]3C)ccn12 ZINC000986281299 773900711 /nfs/dbraw/zinc/90/07/11/773900711.db2.gz OMMNESUGUWCPEF-GXTWGEPZSA-N 1 2 297.362 1.359 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CCC=C)C(=O)OCC ZINC000837025989 773905635 /nfs/dbraw/zinc/90/56/35/773905635.db2.gz OQZAFWRYUPWSEL-KBPBESRZSA-N 1 2 292.379 1.098 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CCC=C)C(=O)OCC ZINC000837025989 773905645 /nfs/dbraw/zinc/90/56/45/773905645.db2.gz OQZAFWRYUPWSEL-KBPBESRZSA-N 1 2 292.379 1.098 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1c(C)noc1C ZINC000072514614 773926374 /nfs/dbraw/zinc/92/63/74/773926374.db2.gz VXZWBEOQOREGKY-SNVBAGLBSA-N 1 2 251.330 1.414 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1c(C)noc1C ZINC000072514614 773926390 /nfs/dbraw/zinc/92/63/90/773926390.db2.gz VXZWBEOQOREGKY-SNVBAGLBSA-N 1 2 251.330 1.414 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ncccc2O)C1 ZINC001007177593 773937760 /nfs/dbraw/zinc/93/77/60/773937760.db2.gz NDVKILAAVQJPKG-GFCCVEGCSA-N 1 2 273.336 1.005 20 30 CDEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ncccc2O)C1 ZINC001007177593 773937769 /nfs/dbraw/zinc/93/77/69/773937769.db2.gz NDVKILAAVQJPKG-GFCCVEGCSA-N 1 2 273.336 1.005 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)c3cnon3)CCC[C@H]12 ZINC000992359811 774019805 /nfs/dbraw/zinc/01/98/05/774019805.db2.gz GSBHGTWDKDMZGB-AAEUAGOBSA-N 1 2 296.758 1.549 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)c3cnon3)CCC[C@H]12 ZINC000992359811 774019812 /nfs/dbraw/zinc/01/98/12/774019812.db2.gz GSBHGTWDKDMZGB-AAEUAGOBSA-N 1 2 296.758 1.549 20 30 CDEDLO C#Cc1cncc(C(=O)NC2C[NH+](C[C@@H]3CCCCO3)C2)c1 ZINC001030928315 774028969 /nfs/dbraw/zinc/02/89/69/774028969.db2.gz NHZUVAYKVRZJLA-INIZCTEOSA-N 1 2 299.374 1.046 20 30 CDEDLO C#Cc1cccc(CNC(=O)/C=C/C[NH+]2CCOCC2)c1 ZINC000868792453 774069845 /nfs/dbraw/zinc/06/98/45/774069845.db2.gz KWKOGUPJCRSCCU-QPJJXVBHSA-N 1 2 284.359 1.173 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)C#Cc1cccs1 ZINC000827256211 774136429 /nfs/dbraw/zinc/13/64/29/774136429.db2.gz WHQZXBBTVXSVGE-UHFFFAOYSA-N 1 2 273.361 1.845 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1c[nH]cc1C)CO2 ZINC001054006548 774163437 /nfs/dbraw/zinc/16/34/37/774163437.db2.gz LBAFKNBNQUSCAX-CYBMUJFWSA-N 1 2 289.379 1.472 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(OCC)c1 ZINC001038747057 774168333 /nfs/dbraw/zinc/16/83/33/774168333.db2.gz GPAIFCHGSFATBH-OAHLLOKOSA-N 1 2 286.375 1.913 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(OCC)c1 ZINC001038747057 774168342 /nfs/dbraw/zinc/16/83/42/774168342.db2.gz GPAIFCHGSFATBH-OAHLLOKOSA-N 1 2 286.375 1.913 20 30 CDEDLO C=CCC(C)(C)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868556809 774175445 /nfs/dbraw/zinc/17/54/45/774175445.db2.gz VVEFKTKOAWLKSF-AATRIKPKSA-N 1 2 266.385 1.593 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC000923550897 774240227 /nfs/dbraw/zinc/24/02/27/774240227.db2.gz GSJNEOABWWNCKW-GFCCVEGCSA-N 1 2 273.336 1.379 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC000923550897 774240233 /nfs/dbraw/zinc/24/02/33/774240233.db2.gz GSJNEOABWWNCKW-GFCCVEGCSA-N 1 2 273.336 1.379 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1coc(C)n1 ZINC001050881318 774264579 /nfs/dbraw/zinc/26/45/79/774264579.db2.gz FSUBTJMCGSODCE-CYBMUJFWSA-N 1 2 293.367 1.380 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1coc(C)n1 ZINC001050881318 774264608 /nfs/dbraw/zinc/26/46/08/774264608.db2.gz FSUBTJMCGSODCE-CYBMUJFWSA-N 1 2 293.367 1.380 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCCCC#N)C1 ZINC000444092378 774291109 /nfs/dbraw/zinc/29/11/09/774291109.db2.gz DCYQQAIPOQAXHY-GFCCVEGCSA-N 1 2 275.356 1.613 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](C[C@H](O)CC2(O)CCCCC2)C1 ZINC000932149872 774303520 /nfs/dbraw/zinc/30/35/20/774303520.db2.gz MGACKWROVMNVAJ-ZIAGYGMSSA-N 1 2 266.385 1.668 20 30 CDEDLO N#C[C@H]1CCC[N@H+](C[C@H](O)CC2(O)CCCCC2)C1 ZINC000932149872 774303528 /nfs/dbraw/zinc/30/35/28/774303528.db2.gz MGACKWROVMNVAJ-ZIAGYGMSSA-N 1 2 266.385 1.668 20 30 CDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001004341365 774304058 /nfs/dbraw/zinc/30/40/58/774304058.db2.gz WYJZJIPWODOENV-CABCVRRESA-N 1 2 291.395 1.392 20 30 CDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001004341365 774304068 /nfs/dbraw/zinc/30/40/68/774304068.db2.gz WYJZJIPWODOENV-CABCVRRESA-N 1 2 291.395 1.392 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCN(c2ccccc2)C1 ZINC001038407780 774311294 /nfs/dbraw/zinc/31/12/94/774311294.db2.gz ZMGNKYMPXAGVNQ-RDJZCZTQSA-N 1 2 297.402 1.337 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCN(c2ccccc2)C1 ZINC001038407780 774311306 /nfs/dbraw/zinc/31/13/06/774311306.db2.gz ZMGNKYMPXAGVNQ-RDJZCZTQSA-N 1 2 297.402 1.337 20 30 CDEDLO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C(N)=O)c1ccccn1 ZINC000926501450 774342253 /nfs/dbraw/zinc/34/22/53/774342253.db2.gz ZVKPQINBEAZQFD-ZYHUDNBSSA-N 1 2 260.341 1.526 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1coc(CCC)n1 ZINC001038923735 774398109 /nfs/dbraw/zinc/39/81/09/774398109.db2.gz VIENSOCPOYYKGC-NSHDSACASA-N 1 2 263.341 1.617 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(CCC)n1 ZINC001038923735 774398120 /nfs/dbraw/zinc/39/81/20/774398120.db2.gz VIENSOCPOYYKGC-NSHDSACASA-N 1 2 263.341 1.617 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3c2ccn3C)C1 ZINC001031109423 774399457 /nfs/dbraw/zinc/39/94/57/774399457.db2.gz NDVSEBHAOQBDES-UHFFFAOYSA-N 1 2 281.359 1.616 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000836955694 774406168 /nfs/dbraw/zinc/40/61/68/774406168.db2.gz RUWYEQJPTMKATB-UPJWGTAASA-N 1 2 272.352 1.103 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000836955694 774406173 /nfs/dbraw/zinc/40/61/73/774406173.db2.gz RUWYEQJPTMKATB-UPJWGTAASA-N 1 2 272.352 1.103 20 30 CDEDLO CC[N@H+](C)[C@@H](C(=O)n1ncc(C#N)c1N)c1ccccc1 ZINC000869368591 774416788 /nfs/dbraw/zinc/41/67/88/774416788.db2.gz JWUFHKCXCSXLBJ-CYBMUJFWSA-N 1 2 283.335 1.670 20 30 CDEDLO CC[N@@H+](C)[C@@H](C(=O)n1ncc(C#N)c1N)c1ccccc1 ZINC000869368591 774416807 /nfs/dbraw/zinc/41/68/07/774416807.db2.gz JWUFHKCXCSXLBJ-CYBMUJFWSA-N 1 2 283.335 1.670 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC001024311835 774428648 /nfs/dbraw/zinc/42/86/48/774428648.db2.gz AOKSCEWZLVQCKU-STQMWFEESA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC001024311835 774428668 /nfs/dbraw/zinc/42/86/68/774428668.db2.gz AOKSCEWZLVQCKU-STQMWFEESA-N 1 2 286.803 1.889 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)[nH]1 ZINC001032610509 774450279 /nfs/dbraw/zinc/45/02/79/774450279.db2.gz MZHUQODNYQFJPR-QWRGUYRKSA-N 1 2 277.755 1.590 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)[nH]1 ZINC001032610509 774450298 /nfs/dbraw/zinc/45/02/98/774450298.db2.gz MZHUQODNYQFJPR-QWRGUYRKSA-N 1 2 277.755 1.590 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001043439155 774496742 /nfs/dbraw/zinc/49/67/42/774496742.db2.gz HDEHZVUHWDEKIH-UHFFFAOYSA-N 1 2 299.378 1.463 20 30 CDEDLO C=CCO[NH+]=C(N)Cc1ccc(OC)c(OC)c1 ZINC000165332554 774564847 /nfs/dbraw/zinc/56/48/47/774564847.db2.gz VVTJDAVRAHEPKC-UHFFFAOYSA-N 1 2 250.298 1.721 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](CF)C1 ZINC000880293576 774571426 /nfs/dbraw/zinc/57/14/26/774571426.db2.gz BDGXSKMFPKMHNP-SECBINFHSA-N 1 2 267.329 1.850 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](CF)C1 ZINC000880293576 774571436 /nfs/dbraw/zinc/57/14/36/774571436.db2.gz BDGXSKMFPKMHNP-SECBINFHSA-N 1 2 267.329 1.850 20 30 CDEDLO C=CCC1(C(=O)N[C@@H](CC)C[NH+]2CCOCC2)CCC1 ZINC000928650891 774635087 /nfs/dbraw/zinc/63/50/87/774635087.db2.gz NSXMXVSIMMJIJV-AWEZNQCLSA-N 1 2 280.412 1.960 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2scnc2COC)C1 ZINC001033485575 774641471 /nfs/dbraw/zinc/64/14/71/774641471.db2.gz CQEPEWSRXQVBFA-LLVKDONJSA-N 1 2 293.392 1.069 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2scnc2COC)C1 ZINC001033485575 774641478 /nfs/dbraw/zinc/64/14/78/774641478.db2.gz CQEPEWSRXQVBFA-LLVKDONJSA-N 1 2 293.392 1.069 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001033337134 774675311 /nfs/dbraw/zinc/67/53/11/774675311.db2.gz GEVGVESKGSPNEY-NDBYEHHHSA-N 1 2 284.787 1.164 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001033337134 774675328 /nfs/dbraw/zinc/67/53/28/774675328.db2.gz GEVGVESKGSPNEY-NDBYEHHHSA-N 1 2 284.787 1.164 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1[C@@H](C)CC ZINC000884148609 774704115 /nfs/dbraw/zinc/70/41/15/774704115.db2.gz PBEVBYDOTRDVOM-IHRRRGAJSA-N 1 2 296.411 1.860 20 30 CDEDLO C#Cc1ccc(C[N@@H+](C)[C@@H](C)CS(C)(=O)=O)cc1 ZINC000787772146 774736519 /nfs/dbraw/zinc/73/65/19/774736519.db2.gz YGTADGRDZKKXAG-LBPRGKRZSA-N 1 2 265.378 1.533 20 30 CDEDLO C#Cc1ccc(C[N@H+](C)[C@@H](C)CS(C)(=O)=O)cc1 ZINC000787772146 774736527 /nfs/dbraw/zinc/73/65/27/774736527.db2.gz YGTADGRDZKKXAG-LBPRGKRZSA-N 1 2 265.378 1.533 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001030409704 774755822 /nfs/dbraw/zinc/75/58/22/774755822.db2.gz PZTMGQOOIVTXPX-JTQLQIEISA-N 1 2 256.296 1.246 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1c(C)noc1CC ZINC000886667177 774802489 /nfs/dbraw/zinc/80/24/89/774802489.db2.gz OPHKICMNOWBTSB-ZDUSSCGKSA-N 1 2 275.352 1.259 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1c(C)noc1CC ZINC000886667177 774802490 /nfs/dbraw/zinc/80/24/90/774802490.db2.gz OPHKICMNOWBTSB-ZDUSSCGKSA-N 1 2 275.352 1.259 20 30 CDEDLO C=CCONC(=O)NCCCCNc1cccc[nH+]1 ZINC000838707593 774812638 /nfs/dbraw/zinc/81/26/38/774812638.db2.gz NCPATSUMPMFBHI-UHFFFAOYSA-N 1 2 264.329 1.691 20 30 CDEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccon1)CC2 ZINC001035656951 774813148 /nfs/dbraw/zinc/81/31/48/774813148.db2.gz YJQRSQCIQMWGTF-UHFFFAOYSA-N 1 2 295.770 1.965 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)/C(C)=C/C)C[C@H]21 ZINC001074204863 774815899 /nfs/dbraw/zinc/81/58/99/774815899.db2.gz JOKJGYLZAFECBK-HMBIXPHWSA-N 1 2 276.380 1.278 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)/C(C)=C/C)C[C@H]21 ZINC001074204863 774815900 /nfs/dbraw/zinc/81/59/00/774815900.db2.gz JOKJGYLZAFECBK-HMBIXPHWSA-N 1 2 276.380 1.278 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1Cc2c1cccc2Cl ZINC001039067317 774831761 /nfs/dbraw/zinc/83/17/61/774831761.db2.gz MRBZMEWFWZVJBF-RISCZKNCSA-N 1 2 288.778 1.803 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1Cc2c1cccc2Cl ZINC001039067317 774831763 /nfs/dbraw/zinc/83/17/63/774831763.db2.gz MRBZMEWFWZVJBF-RISCZKNCSA-N 1 2 288.778 1.803 20 30 CDEDLO Cn1cc[nH+]c1CCCOC(=O)c1cccc(C#N)n1 ZINC000810701924 774858020 /nfs/dbraw/zinc/85/80/20/774858020.db2.gz LPWFONOXRDPBAA-UHFFFAOYSA-N 1 2 270.292 1.476 20 30 CDEDLO C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)c2nnc[nH]2)CC1 ZINC000997354409 774859740 /nfs/dbraw/zinc/85/97/40/774859740.db2.gz DPRBLDNRASUFEA-SNVBAGLBSA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)c2ncn[nH]2)CC1 ZINC000997354409 774859742 /nfs/dbraw/zinc/85/97/42/774859742.db2.gz DPRBLDNRASUFEA-SNVBAGLBSA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)c2nc[nH]n2)CC1 ZINC000997354409 774859744 /nfs/dbraw/zinc/85/97/44/774859744.db2.gz DPRBLDNRASUFEA-SNVBAGLBSA-N 1 2 297.790 1.388 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(C)=O ZINC001017274687 774863869 /nfs/dbraw/zinc/86/38/69/774863869.db2.gz HTDYBOYVVPVMKK-IYBDPMFKSA-N 1 2 299.374 1.762 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(C)=O ZINC001017274687 774863870 /nfs/dbraw/zinc/86/38/70/774863870.db2.gz HTDYBOYVVPVMKK-IYBDPMFKSA-N 1 2 299.374 1.762 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC(C)C)C1CCCC1 ZINC000884088377 774865470 /nfs/dbraw/zinc/86/54/70/774865470.db2.gz ICVUODJNYWWVJH-AWEZNQCLSA-N 1 2 296.411 1.860 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001035542544 774878250 /nfs/dbraw/zinc/87/82/50/774878250.db2.gz PHYOUPFAMVPKST-QLFBSQMISA-N 1 2 278.396 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001035542544 774878254 /nfs/dbraw/zinc/87/82/54/774878254.db2.gz PHYOUPFAMVPKST-QLFBSQMISA-N 1 2 278.396 1.426 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CC[C@@H](O)c2ccccc2)nn1 ZINC000881361833 774892451 /nfs/dbraw/zinc/89/24/51/774892451.db2.gz YRRMGPRWUJPCFL-MRXNPFEDSA-N 1 2 284.363 1.515 20 30 CDEDLO C#Cc1ccc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000934926406 774919278 /nfs/dbraw/zinc/91/92/78/774919278.db2.gz CYGYEWPSPKVLTC-IYBDPMFKSA-N 1 2 299.374 1.653 20 30 CDEDLO C#Cc1ccc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000934926406 774919298 /nfs/dbraw/zinc/91/92/98/774919298.db2.gz CYGYEWPSPKVLTC-IYBDPMFKSA-N 1 2 299.374 1.653 20 30 CDEDLO C#CCOCCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000162526272 775001232 /nfs/dbraw/zinc/00/12/32/775001232.db2.gz BUSVDTYDQDVNOA-UHFFFAOYSA-N 1 2 269.304 1.851 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000853621260 775022517 /nfs/dbraw/zinc/02/25/17/775022517.db2.gz WIKRIRFGJDCJEO-UHFFFAOYSA-N 1 2 299.374 1.138 20 30 CDEDLO C#CCC[N@H+](CCOC)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000853621260 775022526 /nfs/dbraw/zinc/02/25/26/775022526.db2.gz WIKRIRFGJDCJEO-UHFFFAOYSA-N 1 2 299.374 1.138 20 30 CDEDLO Cc1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)s1 ZINC000971222179 775038633 /nfs/dbraw/zinc/03/86/33/775038633.db2.gz UFZNDCVYKZXFRU-PWSUYJOCSA-N 1 2 292.408 1.644 20 30 CDEDLO Cc1cnc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)s1 ZINC000971222179 775038645 /nfs/dbraw/zinc/03/86/45/775038645.db2.gz UFZNDCVYKZXFRU-PWSUYJOCSA-N 1 2 292.408 1.644 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3ccncc3c2)C1 ZINC001031209501 775048577 /nfs/dbraw/zinc/04/85/77/775048577.db2.gz JOWHWMVEYHNACJ-UHFFFAOYSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CCO[C@H](C)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000822726088 775184428 /nfs/dbraw/zinc/18/44/28/775184428.db2.gz MKPORUCENPFUBO-OLZOCXBDSA-N 1 2 277.368 1.452 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C)n(C(F)F)n2)C1 ZINC001042803811 775228551 /nfs/dbraw/zinc/22/85/51/775228551.db2.gz CYOOJDMFSHFNAP-UHFFFAOYSA-N 1 2 298.337 1.919 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001038822204 775495831 /nfs/dbraw/zinc/49/58/31/775495831.db2.gz IMUKNFVTVQUEFR-IUODEOHRSA-N 1 2 284.359 1.447 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001038822204 775495844 /nfs/dbraw/zinc/49/58/44/775495844.db2.gz IMUKNFVTVQUEFR-IUODEOHRSA-N 1 2 284.359 1.447 20 30 CDEDLO C#CCOc1ccccc1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000847497562 775554380 /nfs/dbraw/zinc/55/43/80/775554380.db2.gz IVLFSVPVGOOINR-ZDUSSCGKSA-N 1 2 297.358 1.917 20 30 CDEDLO C#CCOc1ccccc1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000847497562 775554392 /nfs/dbraw/zinc/55/43/92/775554392.db2.gz IVLFSVPVGOOINR-ZDUSSCGKSA-N 1 2 297.358 1.917 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001044382315 775617727 /nfs/dbraw/zinc/61/77/27/775617727.db2.gz RLZLLIGJGCRELW-UHFFFAOYSA-N 1 2 288.395 1.552 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)n2cccn2)C1 ZINC001006787191 775674137 /nfs/dbraw/zinc/67/41/37/775674137.db2.gz GTSYUMDWSHQVGM-QWHCGFSZSA-N 1 2 296.802 1.777 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)n2cccn2)C1 ZINC001006787191 775674140 /nfs/dbraw/zinc/67/41/40/775674140.db2.gz GTSYUMDWSHQVGM-QWHCGFSZSA-N 1 2 296.802 1.777 20 30 CDEDLO C#CCC1([NH2+][C@@H](C)C(=O)OCCCC)CCOCC1 ZINC000887124737 775853195 /nfs/dbraw/zinc/85/31/95/775853195.db2.gz QXGMMHJLMKFDFX-ZDUSSCGKSA-N 1 2 267.369 1.880 20 30 CDEDLO N#CCN1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001052499246 775866975 /nfs/dbraw/zinc/86/69/75/775866975.db2.gz RHEGDRQXEJXLBV-CYBMUJFWSA-N 1 2 297.362 1.671 20 30 CDEDLO COc1cccc([C@@H]2CN(C(=O)C#CC3CC3)CC[NH2+]2)c1 ZINC000870154238 775967338 /nfs/dbraw/zinc/96/73/38/775967338.db2.gz HULZFVFJNOEAOF-INIZCTEOSA-N 1 2 284.359 1.582 20 30 CDEDLO C[NH+](C)CCCN(CCC#N)C(=O)C(F)C(F)(F)F ZINC000810491596 775982784 /nfs/dbraw/zinc/98/27/84/775982784.db2.gz UAYCSUTVHRFVFM-VIFPVBQESA-N 1 2 283.269 1.581 20 30 CDEDLO C[NH+](C)CCCN(CCC#N)C(=O)[C@H](F)C(F)(F)F ZINC000810491596 775982802 /nfs/dbraw/zinc/98/28/02/775982802.db2.gz UAYCSUTVHRFVFM-VIFPVBQESA-N 1 2 283.269 1.581 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(N(C)C)c(F)c2)C1 ZINC001031441345 776003598 /nfs/dbraw/zinc/00/35/98/776003598.db2.gz ALPFQHFSYCVQSP-UHFFFAOYSA-N 1 2 289.354 1.329 20 30 CDEDLO CCC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052070609 776009292 /nfs/dbraw/zinc/00/92/92/776009292.db2.gz JZHKTDLKXUKWIV-CQSZACIVSA-N 1 2 292.427 1.165 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1nc(C)oc1C ZINC001051185713 776039208 /nfs/dbraw/zinc/03/92/08/776039208.db2.gz ZLQSWTAXQPGVJA-CYBMUJFWSA-N 1 2 293.367 1.298 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1nc(C)oc1C ZINC001051185713 776039210 /nfs/dbraw/zinc/03/92/10/776039210.db2.gz ZLQSWTAXQPGVJA-CYBMUJFWSA-N 1 2 293.367 1.298 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccnc(C)c2)C1 ZINC001035549202 776070821 /nfs/dbraw/zinc/07/08/21/776070821.db2.gz IRSXFRWBSQVOAB-CQSZACIVSA-N 1 2 275.352 1.007 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccnc(C)c2)C1 ZINC001035549202 776070829 /nfs/dbraw/zinc/07/08/29/776070829.db2.gz IRSXFRWBSQVOAB-CQSZACIVSA-N 1 2 275.352 1.007 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@@H](NC(C)=O)CC[C@H]1C ZINC001071282747 776307749 /nfs/dbraw/zinc/30/77/49/776307749.db2.gz OAQNIXCKOCDKIZ-KOLCDFICSA-N 1 2 275.190 1.884 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(C)=O)CC[C@H]1C ZINC001071282747 776307761 /nfs/dbraw/zinc/30/77/61/776307761.db2.gz OAQNIXCKOCDKIZ-KOLCDFICSA-N 1 2 275.190 1.884 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2snnc2C)[C@H]1C ZINC000993054897 776387270 /nfs/dbraw/zinc/38/72/70/776387270.db2.gz ZMBKYZRYLFJEBL-NEPJUHHUSA-N 1 2 292.408 1.453 20 30 CDEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2snnc2C)[C@H]1C ZINC000993054897 776387274 /nfs/dbraw/zinc/38/72/74/776387274.db2.gz ZMBKYZRYLFJEBL-NEPJUHHUSA-N 1 2 292.408 1.453 20 30 CDEDLO C#CCCCC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928650873 776390411 /nfs/dbraw/zinc/39/04/11/776390411.db2.gz NMRPZQIUICNTGL-ZDUSSCGKSA-N 1 2 252.358 1.017 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2CCCOC2)CC1 ZINC001000503709 776457448 /nfs/dbraw/zinc/45/74/48/776457448.db2.gz DRXMQSPAKXEZFA-AWEZNQCLSA-N 1 2 298.814 1.914 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCCOC2)CC1 ZINC001000503709 776457462 /nfs/dbraw/zinc/45/74/62/776457462.db2.gz DRXMQSPAKXEZFA-AWEZNQCLSA-N 1 2 298.814 1.914 20 30 CDEDLO C=C[C@@H](NCc1[nH+]cc(C)c(OC)c1C)C(=O)OC ZINC000799978134 776478706 /nfs/dbraw/zinc/47/87/06/776478706.db2.gz XJWAOEAZSZTUOA-LLVKDONJSA-N 1 2 264.325 1.524 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc(OC)c2C)C1 ZINC001031014043 776486167 /nfs/dbraw/zinc/48/61/67/776486167.db2.gz ULCSZSXCCCIINI-UHFFFAOYSA-N 1 2 274.364 1.994 20 30 CDEDLO C[C@@H](NC(=O)C#Cc1cccs1)[C@H](C)[NH+]1CCOCC1 ZINC000825727081 776660028 /nfs/dbraw/zinc/66/00/28/776660028.db2.gz HVMMHMFFENCUOA-OLZOCXBDSA-N 1 2 292.404 1.325 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)nc1 ZINC000851990297 776674319 /nfs/dbraw/zinc/67/43/19/776674319.db2.gz QKBIJPFDWSEOBR-VIFPVBQESA-N 1 2 251.717 1.627 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)nc1 ZINC000851990297 776674341 /nfs/dbraw/zinc/67/43/41/776674341.db2.gz QKBIJPFDWSEOBR-VIFPVBQESA-N 1 2 251.717 1.627 20 30 CDEDLO C#C[C@@H](C)NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000820436775 776675017 /nfs/dbraw/zinc/67/50/17/776675017.db2.gz ZTLCHIAZHUUWCL-LLVKDONJSA-N 1 2 275.352 1.870 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(OCC)c1 ZINC001038689051 776801263 /nfs/dbraw/zinc/80/12/63/776801263.db2.gz YPQYEAQOPQMTFV-CQSZACIVSA-N 1 2 287.363 1.308 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc(OCC)c1 ZINC001038689051 776801267 /nfs/dbraw/zinc/80/12/67/776801267.db2.gz YPQYEAQOPQMTFV-CQSZACIVSA-N 1 2 287.363 1.308 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CCC3(CCC3)CO2)C1 ZINC001031294265 776829816 /nfs/dbraw/zinc/82/98/16/776829816.db2.gz XDNNJVCQHYVQRF-HNNXBMFYSA-N 1 2 290.407 1.550 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2CC(F)(F)C2)C1 ZINC001042594588 776933741 /nfs/dbraw/zinc/93/37/41/776933741.db2.gz ATIRAWAHCCLEPT-UHFFFAOYSA-N 1 2 258.312 1.750 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001043837124 776953322 /nfs/dbraw/zinc/95/33/22/776953322.db2.gz DWBJLRXAFOGPOO-UHFFFAOYSA-N 1 2 284.310 1.680 20 30 CDEDLO C#CCCOC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000859135802 777020013 /nfs/dbraw/zinc/02/00/13/777020013.db2.gz NWIYIQVHEAEZIA-GFCCVEGCSA-N 1 2 261.325 1.759 20 30 CDEDLO C[C@@H]1CN(CC#N)CC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000942486390 777030437 /nfs/dbraw/zinc/03/04/37/777030437.db2.gz NDUNWLFRJUHPEZ-OLZOCXBDSA-N 1 2 297.362 1.298 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C)cc2)C1 ZINC000887340821 777061152 /nfs/dbraw/zinc/06/11/52/777061152.db2.gz NJIZJCUGPZWNIJ-OAHLLOKOSA-N 1 2 299.374 1.147 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C)cc2)C1 ZINC000887340821 777061160 /nfs/dbraw/zinc/06/11/60/777061160.db2.gz NJIZJCUGPZWNIJ-OAHLLOKOSA-N 1 2 299.374 1.147 20 30 CDEDLO Cc1noc([C@H]2CCC[N@H+]2CCO[C@H](C)C#N)n1 ZINC000796697885 777227171 /nfs/dbraw/zinc/22/71/71/777227171.db2.gz ZDJMOKLUPPLVBU-MWLCHTKSSA-N 1 2 250.302 1.444 20 30 CDEDLO Cc1noc([C@H]2CCC[N@@H+]2CCO[C@H](C)C#N)n1 ZINC000796697885 777227179 /nfs/dbraw/zinc/22/71/79/777227179.db2.gz ZDJMOKLUPPLVBU-MWLCHTKSSA-N 1 2 250.302 1.444 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCOCC2)C1 ZINC001035354811 777283604 /nfs/dbraw/zinc/28/36/04/777283604.db2.gz XDRYXFOCIPSOOW-HUUCEWRRSA-N 1 2 296.411 1.196 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCOCC2)C1 ZINC001035354811 777283608 /nfs/dbraw/zinc/28/36/08/777283608.db2.gz XDRYXFOCIPSOOW-HUUCEWRRSA-N 1 2 296.411 1.196 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(F)(F)CC1 ZINC000796553609 777384333 /nfs/dbraw/zinc/38/43/33/777384333.db2.gz XTIOPKAAONUMRU-JTQLQIEISA-N 1 2 271.311 1.668 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CN(C(=O)C(F)C(F)(F)F)C[C@H]2C1 ZINC001048833747 777427877 /nfs/dbraw/zinc/42/78/77/777427877.db2.gz URECFQXYHYKQCA-OUAUKWLOSA-N 1 2 292.276 1.300 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CN(C(=O)C(F)C(F)(F)F)C[C@H]2C1 ZINC001048833747 777427878 /nfs/dbraw/zinc/42/78/78/777427878.db2.gz URECFQXYHYKQCA-OUAUKWLOSA-N 1 2 292.276 1.300 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]2C1 ZINC001048833747 777427879 /nfs/dbraw/zinc/42/78/79/777427879.db2.gz URECFQXYHYKQCA-OUAUKWLOSA-N 1 2 292.276 1.300 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]2C1 ZINC001048833747 777427880 /nfs/dbraw/zinc/42/78/80/777427880.db2.gz URECFQXYHYKQCA-OUAUKWLOSA-N 1 2 292.276 1.300 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCN(C)c2ccccc21 ZINC001038356305 777430740 /nfs/dbraw/zinc/43/07/40/777430740.db2.gz IVWQKFFTNZLMSY-GDBMZVCRSA-N 1 2 297.402 1.434 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCN(C)c2ccccc21 ZINC001038356305 777430750 /nfs/dbraw/zinc/43/07/50/777430750.db2.gz IVWQKFFTNZLMSY-GDBMZVCRSA-N 1 2 297.402 1.434 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1cc(F)ncc1F)[C@H]1CCCO1 ZINC000824196854 777432143 /nfs/dbraw/zinc/43/21/43/777432143.db2.gz YHNCGDSOHIFBRN-VXGBXAGGSA-N 1 2 252.264 1.630 20 30 CDEDLO CC(C)N(CCC#N)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783971995 777439514 /nfs/dbraw/zinc/43/95/14/777439514.db2.gz AHKWQAUCSLFCEK-CYBMUJFWSA-N 1 2 289.383 1.318 20 30 CDEDLO C=CC[C@@H](OC(=O)c1ccn2c(C)c[nH+]c2c1)C(=O)OC ZINC000884569189 777456032 /nfs/dbraw/zinc/45/60/32/777456032.db2.gz FKFADEMZVNVYRE-GFCCVEGCSA-N 1 2 288.303 1.917 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001038754318 777466684 /nfs/dbraw/zinc/46/66/84/777466684.db2.gz XOXGQNVBECVQEI-LBPRGKRZSA-N 1 2 298.346 1.096 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001038754318 777466691 /nfs/dbraw/zinc/46/66/91/777466691.db2.gz XOXGQNVBECVQEI-LBPRGKRZSA-N 1 2 298.346 1.096 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H](C)CO2)C1 ZINC001043389700 777480792 /nfs/dbraw/zinc/48/07/92/777480792.db2.gz VGEIZZAONVZGKB-AAEUAGOBSA-N 1 2 252.358 1.130 20 30 CDEDLO C=C(C)C(C)(C)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000820467965 777488565 /nfs/dbraw/zinc/48/85/65/777488565.db2.gz DKHNLXLULSKJLC-GFCCVEGCSA-N 1 2 255.358 1.853 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCC[C@@H](F)C2)C1 ZINC001030299600 777651613 /nfs/dbraw/zinc/65/16/13/777651613.db2.gz WJVRRIROTCXLPZ-VXGBXAGGSA-N 1 2 254.349 1.891 20 30 CDEDLO CN(C)c1cc(C#N)cc(C(=O)OCCc2c[nH+]cn2C)c1 ZINC000816030634 777652062 /nfs/dbraw/zinc/65/20/62/777652062.db2.gz WXKYZIWQDHCPOA-UHFFFAOYSA-N 1 2 298.346 1.757 20 30 CDEDLO C=CCOCC[N@@H+](CCO)Cc1cccnc1Cl ZINC000815106686 777672203 /nfs/dbraw/zinc/67/22/03/777672203.db2.gz ZQSOUOUJQWXZKP-UHFFFAOYSA-N 1 2 270.760 1.732 20 30 CDEDLO C=CCOCC[N@H+](CCO)Cc1cccnc1Cl ZINC000815106686 777672218 /nfs/dbraw/zinc/67/22/18/777672218.db2.gz ZQSOUOUJQWXZKP-UHFFFAOYSA-N 1 2 270.760 1.732 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](N(C)CC#N)C1 ZINC001027611962 777704631 /nfs/dbraw/zinc/70/46/31/777704631.db2.gz YTPYLUGQXDZFNR-OCCSQVGLSA-N 1 2 289.383 1.035 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](N(C)CC#N)C1 ZINC001027611962 777704642 /nfs/dbraw/zinc/70/46/42/777704642.db2.gz YTPYLUGQXDZFNR-OCCSQVGLSA-N 1 2 289.383 1.035 20 30 CDEDLO C#CC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000844045749 777769583 /nfs/dbraw/zinc/76/95/83/777769583.db2.gz NREPYEDUSRIQRX-CYBMUJFWSA-N 1 2 257.337 1.317 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2ccccc2O1 ZINC001038820840 777775822 /nfs/dbraw/zinc/77/58/22/777775822.db2.gz NIBJUBSSTWHSGX-WBVHZDCISA-N 1 2 298.386 1.594 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2ccccc2O1 ZINC001038820840 777775841 /nfs/dbraw/zinc/77/58/41/777775841.db2.gz NIBJUBSSTWHSGX-WBVHZDCISA-N 1 2 298.386 1.594 20 30 CDEDLO N#CCc1ccc(NC(=O)/C=C/C[NH+]2CCOCC2)cc1 ZINC000864576367 777787764 /nfs/dbraw/zinc/78/77/64/777787764.db2.gz ZCNVCJPQQQJIQV-OWOJBTEDSA-N 1 2 285.347 1.580 20 30 CDEDLO C[NH+](C)CCCN(CCC#N)C(=O)C(F)C(F)(F)F ZINC000810491595 777811895 /nfs/dbraw/zinc/81/18/95/777811895.db2.gz UAYCSUTVHRFVFM-SECBINFHSA-N 1 2 283.269 1.581 20 30 CDEDLO C[NH+](C)CCCN(CCC#N)C(=O)[C@@H](F)C(F)(F)F ZINC000810491595 777811902 /nfs/dbraw/zinc/81/19/02/777811902.db2.gz UAYCSUTVHRFVFM-SECBINFHSA-N 1 2 283.269 1.581 20 30 CDEDLO C=CC[N@@H+](CCS(=O)(=O)CCC)[C@@H](C)COC ZINC000852357873 777820455 /nfs/dbraw/zinc/82/04/55/777820455.db2.gz JKEBNJBGTYZCKW-LBPRGKRZSA-N 1 2 263.403 1.334 20 30 CDEDLO C=CC[N@H+](CCS(=O)(=O)CCC)[C@@H](C)COC ZINC000852357873 777820456 /nfs/dbraw/zinc/82/04/56/777820456.db2.gz JKEBNJBGTYZCKW-LBPRGKRZSA-N 1 2 263.403 1.334 20 30 CDEDLO CCCn1ncnc1CO[NH+]=C(N)c1ccc(F)cc1 ZINC000853646719 777827815 /nfs/dbraw/zinc/82/78/15/777827815.db2.gz XRIPNLHKXCGOIH-UHFFFAOYSA-N 1 2 277.303 1.664 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C)nnc2CC)C1 ZINC001043131784 777847513 /nfs/dbraw/zinc/84/75/13/777847513.db2.gz WMIKGCGHWKNTSX-UHFFFAOYSA-N 1 2 286.379 1.127 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn(C(C)(C)C)c2)C1 ZINC001043191117 777857032 /nfs/dbraw/zinc/85/70/32/777857032.db2.gz XJDLZVOZOVAQGN-UHFFFAOYSA-N 1 2 290.411 1.970 20 30 CDEDLO C#CCCCCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000176944394 777894326 /nfs/dbraw/zinc/89/43/26/777894326.db2.gz SERVWVYPEDGASU-UHFFFAOYSA-N 1 2 281.400 1.200 20 30 CDEDLO C#CCCCCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000176944394 777894327 /nfs/dbraw/zinc/89/43/27/777894327.db2.gz SERVWVYPEDGASU-UHFFFAOYSA-N 1 2 281.400 1.200 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C2CC2)CCOCC1 ZINC001032540608 778003398 /nfs/dbraw/zinc/00/33/98/778003398.db2.gz IZPOQMQJLVEJBU-GJZGRUSLSA-N 1 2 288.391 1.112 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C2CC2)CCOCC1 ZINC001032540608 778003414 /nfs/dbraw/zinc/00/34/14/778003414.db2.gz IZPOQMQJLVEJBU-GJZGRUSLSA-N 1 2 288.391 1.112 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001039109206 778030654 /nfs/dbraw/zinc/03/06/54/778030654.db2.gz ZZQYOMUEJSTPIZ-HUUCEWRRSA-N 1 2 284.359 1.122 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001039109206 778030668 /nfs/dbraw/zinc/03/06/68/778030668.db2.gz ZZQYOMUEJSTPIZ-HUUCEWRRSA-N 1 2 284.359 1.122 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2cccnc21 ZINC001038637166 778120002 /nfs/dbraw/zinc/12/00/02/778120002.db2.gz FNXAZVJNZLMJQF-HUUCEWRRSA-N 1 2 283.375 1.325 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2cccnc21 ZINC001038637166 778120011 /nfs/dbraw/zinc/12/00/11/778120011.db2.gz FNXAZVJNZLMJQF-HUUCEWRRSA-N 1 2 283.375 1.325 20 30 CDEDLO CC#CCCCC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000183758224 778306230 /nfs/dbraw/zinc/30/62/30/778306230.db2.gz UQQGEOSJGCPUTC-CYBMUJFWSA-N 1 2 253.342 1.444 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001035510802 778319066 /nfs/dbraw/zinc/31/90/66/778319066.db2.gz NQZOCWJBSWRTRI-JHJVBQTASA-N 1 2 252.358 1.036 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001035510802 778319079 /nfs/dbraw/zinc/31/90/79/778319079.db2.gz NQZOCWJBSWRTRI-JHJVBQTASA-N 1 2 252.358 1.036 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cc1ccccc1CC#N ZINC000777306048 778320788 /nfs/dbraw/zinc/32/07/88/778320788.db2.gz XTPWHWYXFVQKLM-CYBMUJFWSA-N 1 2 282.347 1.697 20 30 CDEDLO C#Cc1cncc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000807425825 778360213 /nfs/dbraw/zinc/36/02/13/778360213.db2.gz GXMJDJBJPIYCIX-AWEZNQCLSA-N 1 2 294.358 1.816 20 30 CDEDLO CC(C)(C)c1cn(CC(=O)N[C@](C)(C#N)C2CC2)c[nH+]1 ZINC000865375389 778362267 /nfs/dbraw/zinc/36/22/67/778362267.db2.gz UUWKBBTZBBYWDQ-OAHLLOKOSA-N 1 2 274.368 1.989 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001038259098 778373338 /nfs/dbraw/zinc/37/33/38/778373338.db2.gz IDGKEQKTFHDSLR-BFHYXJOUSA-N 1 2 288.416 1.984 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001038259098 778373346 /nfs/dbraw/zinc/37/33/46/778373346.db2.gz IDGKEQKTFHDSLR-BFHYXJOUSA-N 1 2 288.416 1.984 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2scnc2C)[C@@H]1C ZINC000993064732 778398108 /nfs/dbraw/zinc/39/81/08/778398108.db2.gz CEAQMIVDLVUKIT-NWDGAFQWSA-N 1 2 277.393 1.667 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2scnc2C)[C@@H]1C ZINC000993064732 778398116 /nfs/dbraw/zinc/39/81/16/778398116.db2.gz CEAQMIVDLVUKIT-NWDGAFQWSA-N 1 2 277.393 1.667 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001038285858 778411976 /nfs/dbraw/zinc/41/19/76/778411976.db2.gz FOWBRINBHYUEOZ-CABCVRRESA-N 1 2 260.381 1.947 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001038285858 778412005 /nfs/dbraw/zinc/41/20/05/778412005.db2.gz FOWBRINBHYUEOZ-CABCVRRESA-N 1 2 260.381 1.947 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)C2(c3cccnc3)CC2)C1 ZINC001043609760 778422164 /nfs/dbraw/zinc/42/21/64/778422164.db2.gz ONORUHQKWMMRAC-UHFFFAOYSA-N 1 2 283.375 1.279 20 30 CDEDLO N#Cc1cccc(C[N@@H+](CC(N)=O)C2CCOCC2)c1F ZINC000880394749 778433533 /nfs/dbraw/zinc/43/35/33/778433533.db2.gz QWWBPVBEXKXYRS-UHFFFAOYSA-N 1 2 291.326 1.164 20 30 CDEDLO N#Cc1cccc(C[N@H+](CC(N)=O)C2CCOCC2)c1F ZINC000880394749 778433539 /nfs/dbraw/zinc/43/35/39/778433539.db2.gz QWWBPVBEXKXYRS-UHFFFAOYSA-N 1 2 291.326 1.164 20 30 CDEDLO C#CC1(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CCCC1 ZINC000883337115 778513552 /nfs/dbraw/zinc/51/35/52/778513552.db2.gz ZEZMKFBMVHOIIH-KGLIPLIRSA-N 1 2 293.411 1.341 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)CC)[C@@H]2C1 ZINC001075464091 778568840 /nfs/dbraw/zinc/56/88/40/778568840.db2.gz MWDUXHSOTZCXMY-WDEREUQCSA-N 1 2 287.201 1.838 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)CC)[C@@H]2C1 ZINC001075464091 778568848 /nfs/dbraw/zinc/56/88/48/778568848.db2.gz MWDUXHSOTZCXMY-WDEREUQCSA-N 1 2 287.201 1.838 20 30 CDEDLO N#CCCCNC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000921907836 778742584 /nfs/dbraw/zinc/74/25/84/778742584.db2.gz YUBSQHRWELQHNT-UHFFFAOYSA-N 1 2 287.367 1.971 20 30 CDEDLO C#CCOc1ccc(C[NH2+]Cc2nonc2C)cc1 ZINC000809744396 778810631 /nfs/dbraw/zinc/81/06/31/778810631.db2.gz JNORLUMJHNRSTK-UHFFFAOYSA-N 1 2 257.293 1.680 20 30 CDEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(O)(CO)CC1 ZINC000313622316 778818259 /nfs/dbraw/zinc/81/82/59/778818259.db2.gz GZTSPYAKOQRLFZ-UHFFFAOYSA-N 1 2 264.300 1.017 20 30 CDEDLO N#C[C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000928217902 778826015 /nfs/dbraw/zinc/82/60/15/778826015.db2.gz VJNRGYNXGUQRLK-RYUDHWBXSA-N 1 2 258.325 1.208 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnoc1C1CC1 ZINC001032711605 778888269 /nfs/dbraw/zinc/88/82/69/778888269.db2.gz HCGJJAUTOTZYPO-RYUDHWBXSA-N 1 2 273.336 1.637 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnoc1C1CC1 ZINC001032711605 778888272 /nfs/dbraw/zinc/88/82/72/778888272.db2.gz HCGJJAUTOTZYPO-RYUDHWBXSA-N 1 2 273.336 1.637 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001008416910 778938239 /nfs/dbraw/zinc/93/82/39/778938239.db2.gz FUPAWKYORUZUBU-SNVBAGLBSA-N 1 2 298.774 1.072 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001008416910 778938253 /nfs/dbraw/zinc/93/82/53/778938253.db2.gz FUPAWKYORUZUBU-SNVBAGLBSA-N 1 2 298.774 1.072 20 30 CDEDLO Cc1nc(N[C@@H](C)[C@H]2CCN(C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001065704512 779016645 /nfs/dbraw/zinc/01/66/45/779016645.db2.gz ZORFFHYXYZROBS-WFASDCNBSA-N 1 2 298.390 1.847 20 30 CDEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000859769466 779021368 /nfs/dbraw/zinc/02/13/68/779021368.db2.gz FDDRGEUBHQHDIL-INIZCTEOSA-N 1 2 290.363 1.826 20 30 CDEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000859769466 779021378 /nfs/dbraw/zinc/02/13/78/779021378.db2.gz FDDRGEUBHQHDIL-INIZCTEOSA-N 1 2 290.363 1.826 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ocnc2C(F)F)C1 ZINC001008548933 779022209 /nfs/dbraw/zinc/02/22/09/779022209.db2.gz XCSWVBHIROGWEJ-SNVBAGLBSA-N 1 2 297.305 1.830 20 30 CDEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ocnc2C(F)F)C1 ZINC001008548933 779022218 /nfs/dbraw/zinc/02/22/18/779022218.db2.gz XCSWVBHIROGWEJ-SNVBAGLBSA-N 1 2 297.305 1.830 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CCC1 ZINC001017806808 779038810 /nfs/dbraw/zinc/03/88/10/779038810.db2.gz NEOQCBPDPRJHHE-OKILXGFUSA-N 1 2 260.381 1.875 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CCC1 ZINC001017806808 779038813 /nfs/dbraw/zinc/03/88/13/779038813.db2.gz NEOQCBPDPRJHHE-OKILXGFUSA-N 1 2 260.381 1.875 20 30 CDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)C[C@](C)(CC)C1=O ZINC000853621038 779059282 /nfs/dbraw/zinc/05/92/82/779059282.db2.gz NSNJUKUDYWQLEB-HNNXBMFYSA-N 1 2 280.368 1.091 20 30 CDEDLO C#CCC[N@H+](CCOC)CN1C(=O)C[C@](C)(CC)C1=O ZINC000853621038 779059286 /nfs/dbraw/zinc/05/92/86/779059286.db2.gz NSNJUKUDYWQLEB-HNNXBMFYSA-N 1 2 280.368 1.091 20 30 CDEDLO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2[nH]nnc2c1 ZINC001028311335 779229402 /nfs/dbraw/zinc/22/94/02/779229402.db2.gz LYIHTTJLNRAMES-CYBMUJFWSA-N 1 2 299.378 1.728 20 30 CDEDLO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2[nH]nnc2c1 ZINC001028311335 779229408 /nfs/dbraw/zinc/22/94/08/779229408.db2.gz LYIHTTJLNRAMES-CYBMUJFWSA-N 1 2 299.378 1.728 20 30 CDEDLO C=CC(C)(C)CNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000922712818 779236646 /nfs/dbraw/zinc/23/66/46/779236646.db2.gz UGWJUQIXYIQWCT-ZDUSSCGKSA-N 1 2 283.416 1.609 20 30 CDEDLO CC[N@@H+]1CCO[C@H](C(=O)OCCC(C)(C)C#N)C1 ZINC000805475074 779246184 /nfs/dbraw/zinc/24/61/84/779246184.db2.gz WLZRUBZBXUFQIG-NSHDSACASA-N 1 2 254.330 1.190 20 30 CDEDLO CC[N@H+]1CCO[C@H](C(=O)OCCC(C)(C)C#N)C1 ZINC000805475074 779246192 /nfs/dbraw/zinc/24/61/92/779246192.db2.gz WLZRUBZBXUFQIG-NSHDSACASA-N 1 2 254.330 1.190 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCOc2cccc(F)c2)nn1 ZINC000881214155 779272857 /nfs/dbraw/zinc/27/28/57/779272857.db2.gz BHVDGXJSSJOHPY-UHFFFAOYSA-N 1 2 288.326 1.609 20 30 CDEDLO C=CC[N@@H+](CCc1ccco1)CN1CC(=O)N(C)C1=O ZINC000778585775 779281544 /nfs/dbraw/zinc/28/15/44/779281544.db2.gz VBOJCNYVQLAISS-UHFFFAOYSA-N 1 2 277.324 1.162 20 30 CDEDLO C=CC[N@H+](CCc1ccco1)CN1CC(=O)N(C)C1=O ZINC000778585775 779281559 /nfs/dbraw/zinc/28/15/59/779281559.db2.gz VBOJCNYVQLAISS-UHFFFAOYSA-N 1 2 277.324 1.162 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ocnc2CC)C1 ZINC001008474123 779432186 /nfs/dbraw/zinc/43/21/86/779432186.db2.gz LKTZNZKUKCTHCB-NSHDSACASA-N 1 2 261.325 1.064 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ocnc2CC)C1 ZINC001008474123 779432194 /nfs/dbraw/zinc/43/21/94/779432194.db2.gz LKTZNZKUKCTHCB-NSHDSACASA-N 1 2 261.325 1.064 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001032637564 779487032 /nfs/dbraw/zinc/48/70/32/779487032.db2.gz PMEWCINSZHFGTF-FXUDXRNXSA-N 1 2 274.408 1.977 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001032637564 779487040 /nfs/dbraw/zinc/48/70/40/779487040.db2.gz PMEWCINSZHFGTF-FXUDXRNXSA-N 1 2 274.408 1.977 20 30 CDEDLO COc1c(Cl)cccc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000819425315 779596818 /nfs/dbraw/zinc/59/68/18/779596818.db2.gz VBQLTESXQVUQTN-NSHDSACASA-N 1 2 297.786 1.967 20 30 CDEDLO COc1c(Cl)cccc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000819425315 779596832 /nfs/dbraw/zinc/59/68/32/779596832.db2.gz VBQLTESXQVUQTN-NSHDSACASA-N 1 2 297.786 1.967 20 30 CDEDLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cccc(Cl)c1C#N ZINC000921414096 779614756 /nfs/dbraw/zinc/61/47/56/779614756.db2.gz CHVXBDZHNWNZSU-SECBINFHSA-N 1 2 299.783 1.194 20 30 CDEDLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cccc(Cl)c1C#N ZINC000921414096 779614763 /nfs/dbraw/zinc/61/47/63/779614763.db2.gz CHVXBDZHNWNZSU-SECBINFHSA-N 1 2 299.783 1.194 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2c[nH]c3ncccc23)C1 ZINC001031450294 779671993 /nfs/dbraw/zinc/67/19/93/779671993.db2.gz VIOUNZOPTFYMHY-UHFFFAOYSA-N 1 2 284.363 1.482 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc3ncn(C)c3n2)C1 ZINC001043860627 779729527 /nfs/dbraw/zinc/72/95/27/779729527.db2.gz IVRHNNIWZQCUPJ-UHFFFAOYSA-N 1 2 299.378 1.301 20 30 CDEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cc(CO)on1 ZINC000924698148 779813608 /nfs/dbraw/zinc/81/36/08/779813608.db2.gz CLGTUGFWYUBBKV-JTQLQIEISA-N 1 2 257.293 1.889 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cn(C(C)C)nc2C)C1 ZINC001044174093 779842681 /nfs/dbraw/zinc/84/26/81/779842681.db2.gz YLEQVXQMCZWQPB-UHFFFAOYSA-N 1 2 288.395 1.552 20 30 CDEDLO C#CCOc1ccccc1-c1noc([C@@H]2C[N@H+](C)CCO2)n1 ZINC000842491944 779866334 /nfs/dbraw/zinc/86/63/34/779866334.db2.gz OOBNJJZMTXFJNY-AWEZNQCLSA-N 1 2 299.330 1.752 20 30 CDEDLO C#CCOc1ccccc1-c1noc([C@@H]2C[N@@H+](C)CCO2)n1 ZINC000842491944 779866337 /nfs/dbraw/zinc/86/63/37/779866337.db2.gz OOBNJJZMTXFJNY-AWEZNQCLSA-N 1 2 299.330 1.752 20 30 CDEDLO C=C[C@H](C)ONC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000845636353 779879140 /nfs/dbraw/zinc/87/91/40/779879140.db2.gz NPLYLMLZSTYDPP-WDEREUQCSA-N 1 2 264.329 1.805 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N[C@@]3(C)CCN(CC#N)C3)ccn12 ZINC001046315446 779898942 /nfs/dbraw/zinc/89/89/42/779898942.db2.gz VWUWEUJWNRDXHR-INIZCTEOSA-N 1 2 297.362 1.361 20 30 CDEDLO C#C[C@H]([NH2+]Cc1cn(Cc2ccccc2)nn1)[C@H]1CCCO1 ZINC000775797252 780013804 /nfs/dbraw/zinc/01/38/04/780013804.db2.gz CATHFRRWYCXHOS-DLBZAZTESA-N 1 2 296.374 1.597 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874890881 780083962 /nfs/dbraw/zinc/08/39/62/780083962.db2.gz BHHXZIBEJJXWCY-HOCLYGCPSA-N 1 2 292.354 1.626 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)CCOC2 ZINC001038498295 780136611 /nfs/dbraw/zinc/13/66/11/780136611.db2.gz YCWHRKYAVNJEJW-INIZCTEOSA-N 1 2 284.359 1.197 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)CCOC2 ZINC001038498295 780136619 /nfs/dbraw/zinc/13/66/19/780136619.db2.gz YCWHRKYAVNJEJW-INIZCTEOSA-N 1 2 284.359 1.197 20 30 CDEDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@H+](CC2(CC#N)CC2)C1 ZINC000879768053 780163080 /nfs/dbraw/zinc/16/30/80/780163080.db2.gz UQHMSYIMHMLHJC-NSHDSACASA-N 1 2 289.301 1.823 20 30 CDEDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000879768053 780163087 /nfs/dbraw/zinc/16/30/87/780163087.db2.gz UQHMSYIMHMLHJC-NSHDSACASA-N 1 2 289.301 1.823 20 30 CDEDLO Cc1nc(N[C@@H]2CCN(C(=O)C#CC(C)(C)C)C2)cc[nH+]1 ZINC001095033166 912222745 /nfs/dbraw/zinc/22/27/45/912222745.db2.gz MKHLBUVMRXSQCC-CYBMUJFWSA-N 1 2 286.379 1.847 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(C)[nH]1)C2 ZINC001095242425 912679338 /nfs/dbraw/zinc/67/93/38/912679338.db2.gz OZRKLZJQNDUTGG-MDZLAQPJSA-N 1 2 294.786 1.806 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(C)[nH]1)C2 ZINC001095242425 912679343 /nfs/dbraw/zinc/67/93/43/912679343.db2.gz OZRKLZJQNDUTGG-MDZLAQPJSA-N 1 2 294.786 1.806 20 30 CDEDLO N#Cc1cccc(Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC001174491608 913164475 /nfs/dbraw/zinc/16/44/75/913164475.db2.gz PPMGQBROKYCVJJ-UHFFFAOYSA-N 1 2 297.362 1.831 20 30 CDEDLO N#Cc1cc(Cl)nc(NCC2([NH+]3CCCC3)COC2)n1 ZINC001168443061 913206017 /nfs/dbraw/zinc/20/60/17/913206017.db2.gz XXBZYSKAGQHBLG-UHFFFAOYSA-N 1 2 293.758 1.278 20 30 CDEDLO Cc1nc(C[NH2+]CCNC(=O)c2cc(C#N)c[nH]2)oc1C ZINC001125390924 895234205 /nfs/dbraw/zinc/23/42/05/895234205.db2.gz JPWOKHWBDKNBAT-UHFFFAOYSA-N 1 2 287.323 1.011 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1-c1cc(C)cc(C#N)c1 ZINC001210387601 895238632 /nfs/dbraw/zinc/23/86/32/895238632.db2.gz KEIXLKGAUVTXMO-UHFFFAOYSA-N 1 2 270.292 1.811 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)coc1C ZINC001038208208 895790624 /nfs/dbraw/zinc/79/06/24/895790624.db2.gz SIJWSHKGADGICC-ZDUSSCGKSA-N 1 2 260.337 1.724 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)coc1C ZINC001038208208 895790640 /nfs/dbraw/zinc/79/06/40/895790640.db2.gz SIJWSHKGADGICC-ZDUSSCGKSA-N 1 2 260.337 1.724 20 30 CDEDLO C#Cc1cc(Nc2cc(CO)cc(OC)c2)cc[nH+]1 ZINC001216196722 896495342 /nfs/dbraw/zinc/49/53/42/896495342.db2.gz HGZPTCKWUMFTIG-UHFFFAOYSA-N 1 2 254.289 1.729 20 30 CDEDLO C[C@H](CCCCNCC#N)NC(=O)CCc1c[nH+]cn1C ZINC001176402477 914107587 /nfs/dbraw/zinc/10/75/87/914107587.db2.gz XSFAEYTUYKMUNZ-CYBMUJFWSA-N 1 2 291.399 1.141 20 30 CDEDLO C=C(C)C(=O)NCCCNc1[nH+]cccc1CC#N ZINC001167665837 897305763 /nfs/dbraw/zinc/30/57/63/897305763.db2.gz WNGUXIRNHSSXRG-UHFFFAOYSA-N 1 2 258.325 1.642 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)cc(C)c3)[C@H]2C1 ZINC001083258428 897405482 /nfs/dbraw/zinc/40/54/82/897405482.db2.gz DJZWWOFGYAEGJZ-DLBZAZTESA-N 1 2 298.386 1.462 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C)cc(C)c3)[C@H]2C1 ZINC001083258428 897405494 /nfs/dbraw/zinc/40/54/94/897405494.db2.gz DJZWWOFGYAEGJZ-DLBZAZTESA-N 1 2 298.386 1.462 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCc1cnn(C)c1 ZINC001480951282 898111219 /nfs/dbraw/zinc/11/12/19/898111219.db2.gz VMBSCIJNZRMWKV-UHFFFAOYSA-N 1 2 284.791 1.153 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCc1cnn(C)c1 ZINC001480951282 898111228 /nfs/dbraw/zinc/11/12/28/898111228.db2.gz VMBSCIJNZRMWKV-UHFFFAOYSA-N 1 2 284.791 1.153 20 30 CDEDLO C[C@H](CCNC(=O)Cn1cc[nH+]c1)Nc1ccc(C#N)cn1 ZINC001099261889 914251609 /nfs/dbraw/zinc/25/16/09/914251609.db2.gz MNXWXZKJXGRWRT-GFCCVEGCSA-N 1 2 298.350 1.157 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)Cn1nccc1C ZINC001481060757 898708361 /nfs/dbraw/zinc/70/83/61/898708361.db2.gz XBHKSRNUMWMEFT-ZDUSSCGKSA-N 1 2 296.802 1.525 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1nccc1C ZINC001481060757 898708374 /nfs/dbraw/zinc/70/83/74/898708374.db2.gz XBHKSRNUMWMEFT-ZDUSSCGKSA-N 1 2 296.802 1.525 20 30 CDEDLO Cc1nc(NC[C@@H](CC(C)C)NC(=O)[C@H](C)C#N)cc[nH+]1 ZINC001104934105 899682785 /nfs/dbraw/zinc/68/27/85/899682785.db2.gz OJRXOFVGVYTBRR-DGCLKSJQSA-N 1 2 289.383 1.888 20 30 CDEDLO Cc1nccnc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C#N)C2 ZINC001110401798 921164087 /nfs/dbraw/zinc/16/40/87/921164087.db2.gz OGDHYSKUSFSSFN-OPQSFPLASA-N 1 2 299.378 1.166 20 30 CDEDLO Cc1nccnc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C#N)C2 ZINC001110401798 921164090 /nfs/dbraw/zinc/16/40/90/921164090.db2.gz OGDHYSKUSFSSFN-OPQSFPLASA-N 1 2 299.378 1.166 20 30 CDEDLO C#Cc1ccc(C(=O)NCCc2[nH]cc(C)[nH+]2)cc1 ZINC001188740242 921178175 /nfs/dbraw/zinc/17/81/75/921178175.db2.gz ZOBVLOXJRLUQTL-UHFFFAOYSA-N 1 2 253.305 1.672 20 30 CDEDLO Cc1c(C#N)cccc1O[C@@H](C)C[NH+]1CCOCC1 ZINC001228027925 906878767 /nfs/dbraw/zinc/87/87/67/906878767.db2.gz STTJKFFHISDUQZ-LBPRGKRZSA-N 1 2 260.337 1.966 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@](C)(F)CCCC)[C@H](OC)C1 ZINC001212489845 921280599 /nfs/dbraw/zinc/28/05/99/921280599.db2.gz WCOPSMWINPNQOG-IIAWOOMASA-N 1 2 298.402 1.744 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@](C)(F)CCCC)[C@H](OC)C1 ZINC001212489845 921280602 /nfs/dbraw/zinc/28/06/02/921280602.db2.gz WCOPSMWINPNQOG-IIAWOOMASA-N 1 2 298.402 1.744 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001128405092 921294870 /nfs/dbraw/zinc/29/48/70/921294870.db2.gz NTBFOQYGPVWKMY-UHFFFAOYSA-N 1 2 266.345 1.194 20 30 CDEDLO CC#CCCCC(=O)N(C)CCN(C)c1cc[nH+]c(C)n1 ZINC001105529350 908797240 /nfs/dbraw/zinc/79/72/40/908797240.db2.gz PIZKKCWHTIZFPQ-UHFFFAOYSA-N 1 2 288.395 1.873 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(C)CC1)c1nccn12 ZINC001092369824 909386807 /nfs/dbraw/zinc/38/68/07/909386807.db2.gz KKFWAALMBOJIFW-GFCCVEGCSA-N 1 2 286.379 1.441 20 30 CDEDLO CCc1nnc([C@@H](C)[NH2+]CCNC(=O)C#CC(C)(C)C)o1 ZINC001126915687 909770439 /nfs/dbraw/zinc/77/04/39/909770439.db2.gz GZOOWKHWWWVATB-LLVKDONJSA-N 1 2 292.383 1.448 20 30 CDEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CC)CC2)C1 ZINC001093491971 909865268 /nfs/dbraw/zinc/86/52/68/909865268.db2.gz MCZNGODPDIAKLP-UHFFFAOYSA-N 1 2 266.385 1.664 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](C)C3CC3)CC2)C1 ZINC001093522487 909899770 /nfs/dbraw/zinc/89/97/70/909899770.db2.gz XBFRYNUYOVOHKJ-ZDUSSCGKSA-N 1 2 292.423 1.910 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001094011146 910258750 /nfs/dbraw/zinc/25/87/50/910258750.db2.gz AQGANPGGMLNFTO-OAHLLOKOSA-N 1 2 292.383 1.542 20 30 CDEDLO Cc1nc(NCCCNC(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001094363072 910559385 /nfs/dbraw/zinc/55/93/85/910559385.db2.gz VABSGZGDBRTQHJ-UHFFFAOYSA-N 1 2 284.323 1.217 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](C)COC)CC2)C1 ZINC001105698045 910678305 /nfs/dbraw/zinc/67/83/05/910678305.db2.gz DFAOTMXBSVZWHI-CYBMUJFWSA-N 1 2 296.411 1.147 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(OC)nn1 ZINC001409769578 910713154 /nfs/dbraw/zinc/71/31/54/910713154.db2.gz WNVOSAYYGITSOB-SNVBAGLBSA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(OC)nn1 ZINC001409769578 910713162 /nfs/dbraw/zinc/71/31/62/910713162.db2.gz WNVOSAYYGITSOB-SNVBAGLBSA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(OC)nn1 ZINC001483402914 911062984 /nfs/dbraw/zinc/06/29/84/911062984.db2.gz WCIPOKRTJIGGML-SNVBAGLBSA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(OC)nn1 ZINC001483402914 911062992 /nfs/dbraw/zinc/06/29/92/911062992.db2.gz WCIPOKRTJIGGML-SNVBAGLBSA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C=C(C)C)[C@@H](O)C1 ZINC001099656195 921682806 /nfs/dbraw/zinc/68/28/06/921682806.db2.gz AOXLKFNGQBEODQ-RYUDHWBXSA-N 1 2 272.776 1.257 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C=C(C)C)[C@@H](O)C1 ZINC001099656195 921682814 /nfs/dbraw/zinc/68/28/14/921682814.db2.gz AOXLKFNGQBEODQ-RYUDHWBXSA-N 1 2 272.776 1.257 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001106041956 912069656 /nfs/dbraw/zinc/06/96/56/912069656.db2.gz MWTIQIJVNFXTTQ-LBPRGKRZSA-N 1 2 292.383 1.276 20 30 CDEDLO C[C@@H](CCN(C)C(=O)OC(C)(C)C)N1CC[NH2+]C[C@H]1C#N ZINC001172957100 912120916 /nfs/dbraw/zinc/12/09/16/912120916.db2.gz NFXPKDCVOSSNKW-QWHCGFSZSA-N 1 2 296.415 1.429 20 30 CDEDLO COc1cccc(NC(=O)CCc2[nH]cc[nH+]2)c1C#N ZINC001177997098 915081475 /nfs/dbraw/zinc/08/14/75/915081475.db2.gz ZBKMMZLGDRDOGV-UHFFFAOYSA-N 1 2 270.292 1.861 20 30 CDEDLO Cc1nc(C#N)c(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)o1 ZINC001178101319 915167328 /nfs/dbraw/zinc/16/73/28/915167328.db2.gz VYDAYRTUOXTFFP-SECBINFHSA-N 1 2 271.280 1.252 20 30 CDEDLO Cn1nccc1C[NH+]1CCN(c2cccc(C#N)c2)CC1 ZINC001206365336 915743046 /nfs/dbraw/zinc/74/30/46/915743046.db2.gz QXSYMOXMUJLAFS-UHFFFAOYSA-N 1 2 281.363 1.614 20 30 CDEDLO CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@H](C)C#N)C2 ZINC001179888693 916022441 /nfs/dbraw/zinc/02/24/41/916022441.db2.gz AKSUZIOEJQGDIS-LLVKDONJSA-N 1 2 289.383 1.294 20 30 CDEDLO CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@H](C)C#N)C2 ZINC001179888693 916022456 /nfs/dbraw/zinc/02/24/56/916022456.db2.gz AKSUZIOEJQGDIS-LLVKDONJSA-N 1 2 289.383 1.294 20 30 CDEDLO COc1ccc(C[N@@H+]2CCCN(C(C)=O)CC2)c(C#N)c1 ZINC001137698466 936391075 /nfs/dbraw/zinc/39/10/75/936391075.db2.gz YJFAFLCRUNHJAW-UHFFFAOYSA-N 1 2 287.363 1.621 20 30 CDEDLO COc1ccc(C[N@H+]2CCCN(C(C)=O)CC2)c(C#N)c1 ZINC001137698466 936391079 /nfs/dbraw/zinc/39/10/79/936391079.db2.gz YJFAFLCRUNHJAW-UHFFFAOYSA-N 1 2 287.363 1.621 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc(C)no2)C1 ZINC001181542765 917136275 /nfs/dbraw/zinc/13/62/75/917136275.db2.gz CNTYFKWUNSUQCZ-ZYHUDNBSSA-N 1 2 278.356 1.596 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001124488484 917396288 /nfs/dbraw/zinc/39/62/88/917396288.db2.gz PCMVETSMOVWIQY-OLZOCXBDSA-N 1 2 295.383 1.731 20 30 CDEDLO COc1ccc(C#CC(=O)NCCc2cn(C)c[nH+]2)cc1 ZINC001182048869 917630898 /nfs/dbraw/zinc/63/08/98/917630898.db2.gz WLDJOINVIUZVDQ-UHFFFAOYSA-N 1 2 283.331 1.139 20 30 CDEDLO C=CCOCCCC(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001125252776 918067249 /nfs/dbraw/zinc/06/72/49/918067249.db2.gz NCWVUBRSTANSOH-NSHDSACASA-N 1 2 298.412 1.288 20 30 CDEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)C(C)C)nn2)C1 ZINC001107215667 918270698 /nfs/dbraw/zinc/27/06/98/918270698.db2.gz JVAUQIJJPQQMJD-LBPRGKRZSA-N 1 2 291.399 1.229 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1C(C)(C)C1(C)C ZINC001032335560 918490972 /nfs/dbraw/zinc/49/09/72/918490972.db2.gz YFBMWEVKJZOASF-RYUDHWBXSA-N 1 2 260.381 1.587 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1C(C)(C)C1(C)C ZINC001032335560 918490981 /nfs/dbraw/zinc/49/09/81/918490981.db2.gz YFBMWEVKJZOASF-RYUDHWBXSA-N 1 2 260.381 1.587 20 30 CDEDLO N#CC1(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC001183759052 918659639 /nfs/dbraw/zinc/65/96/39/918659639.db2.gz ZXQKSRRWOMAFHB-HNNXBMFYSA-N 1 2 299.374 1.450 20 30 CDEDLO N#CC1(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CCOCC1 ZINC001183759052 918659645 /nfs/dbraw/zinc/65/96/45/918659645.db2.gz ZXQKSRRWOMAFHB-HNNXBMFYSA-N 1 2 299.374 1.450 20 30 CDEDLO CC(=O)/C=C(/C)NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183751095 918685355 /nfs/dbraw/zinc/68/53/55/918685355.db2.gz CFIISORKIJDFLN-KUGGDMIFSA-N 1 2 272.348 1.870 20 30 CDEDLO CC(=O)/C=C(/C)NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001183751095 918685359 /nfs/dbraw/zinc/68/53/59/918685359.db2.gz CFIISORKIJDFLN-KUGGDMIFSA-N 1 2 272.348 1.870 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnc(C)s2)C1 ZINC001107794958 918796576 /nfs/dbraw/zinc/79/65/76/918796576.db2.gz IDQYLSKOQBKZBR-AWEZNQCLSA-N 1 2 295.408 1.458 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cnc(C)s2)C1 ZINC001107794958 918796595 /nfs/dbraw/zinc/79/65/95/918796595.db2.gz IDQYLSKOQBKZBR-AWEZNQCLSA-N 1 2 295.408 1.458 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](O)Cc2cccc(F)c2)CC1 ZINC001184151715 918893025 /nfs/dbraw/zinc/89/30/25/918893025.db2.gz RNAAPJGYDFSLTC-HNNXBMFYSA-N 1 2 292.354 1.059 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)SC)C1 ZINC001107878722 918970144 /nfs/dbraw/zinc/97/01/44/918970144.db2.gz HLFPCEYLVQDHEZ-HIFRSBDPSA-N 1 2 298.452 1.358 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)SC)C1 ZINC001107878722 918970156 /nfs/dbraw/zinc/97/01/56/918970156.db2.gz HLFPCEYLVQDHEZ-HIFRSBDPSA-N 1 2 298.452 1.358 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)/C=C(/C)CC)C1 ZINC001107923607 919049553 /nfs/dbraw/zinc/04/95/53/919049553.db2.gz GOMMTNUYIDGKBB-VSKPTYQZSA-N 1 2 266.385 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)/C=C(/C)CC)C1 ZINC001107923607 919049565 /nfs/dbraw/zinc/04/95/65/919049565.db2.gz GOMMTNUYIDGKBB-VSKPTYQZSA-N 1 2 266.385 1.736 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001107921802 919051935 /nfs/dbraw/zinc/05/19/35/919051935.db2.gz DUYAXTFSLCXVCV-JQWIXIFHSA-N 1 2 274.311 1.035 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001107921802 919051949 /nfs/dbraw/zinc/05/19/49/919051949.db2.gz DUYAXTFSLCXVCV-JQWIXIFHSA-N 1 2 274.311 1.035 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](OCC)C2CC2)C1 ZINC001107947593 919119781 /nfs/dbraw/zinc/11/97/81/919119781.db2.gz NFQABKNOFMLTHW-GDBMZVCRSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](OCC)C2CC2)C1 ZINC001107947593 919119789 /nfs/dbraw/zinc/11/97/89/919119789.db2.gz NFQABKNOFMLTHW-GDBMZVCRSA-N 1 2 296.411 1.195 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001185056520 919382329 /nfs/dbraw/zinc/38/23/29/919382329.db2.gz OUSFYOQAJLQIAN-NWDGAFQWSA-N 1 2 294.424 1.831 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(O)cc2OC)CC1 ZINC001139143410 936602289 /nfs/dbraw/zinc/60/22/89/936602289.db2.gz QQOJGGLPJYYTCO-UHFFFAOYSA-N 1 2 260.337 1.152 20 30 CDEDLO C#CCN1CC[NH+](Cc2ccc(O)cc2OC)CC1 ZINC001139143410 936602291 /nfs/dbraw/zinc/60/22/91/936602291.db2.gz QQOJGGLPJYYTCO-UHFFFAOYSA-N 1 2 260.337 1.152 20 30 CDEDLO C=CCn1cc(C[NH+]2CCN(c3ccccn3)CC2)cn1 ZINC001139765360 936644869 /nfs/dbraw/zinc/64/48/69/936644869.db2.gz BREAEEWRZWXTSX-UHFFFAOYSA-N 1 2 283.379 1.786 20 30 CDEDLO N#Cc1cccc(N2CC[NH+](Cc3ccnnc3)CC2)c1 ZINC001139985066 936665611 /nfs/dbraw/zinc/66/56/11/936665611.db2.gz JLUSPUFVZVDAOB-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)cn1 ZINC001140540035 936722035 /nfs/dbraw/zinc/72/20/35/936722035.db2.gz HJAXZOJNCZXQHV-NSHDSACASA-N 1 2 271.242 1.452 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cn1 ZINC001140540035 936722037 /nfs/dbraw/zinc/72/20/37/936722037.db2.gz HJAXZOJNCZXQHV-NSHDSACASA-N 1 2 271.242 1.452 20 30 CDEDLO N#Cc1c(F)cc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)cc1F ZINC001140751441 936750121 /nfs/dbraw/zinc/75/01/21/936750121.db2.gz WPYIJCSPYKAKAD-GXFFZTMASA-N 1 2 270.254 1.741 20 30 CDEDLO N#Cc1c(F)cc(C[N@H+]2CC[C@H](F)[C@H](O)C2)cc1F ZINC001140751441 936750122 /nfs/dbraw/zinc/75/01/22/936750122.db2.gz WPYIJCSPYKAKAD-GXFFZTMASA-N 1 2 270.254 1.741 20 30 CDEDLO N#Cc1c(F)cc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)cc1F ZINC001140751443 936750127 /nfs/dbraw/zinc/75/01/27/936750127.db2.gz WPYIJCSPYKAKAD-ZWNOBZJWSA-N 1 2 270.254 1.741 20 30 CDEDLO N#Cc1c(F)cc(C[N@H+]2CC[C@@H](F)[C@H](O)C2)cc1F ZINC001140751443 936750128 /nfs/dbraw/zinc/75/01/28/936750128.db2.gz WPYIJCSPYKAKAD-ZWNOBZJWSA-N 1 2 270.254 1.741 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2=CCCC2)[C@H](O)C1 ZINC001090170619 922425512 /nfs/dbraw/zinc/42/55/12/922425512.db2.gz MMSCIYDNMNLSMD-CHWSQXEVSA-N 1 2 284.787 1.401 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2=CCCC2)[C@H](O)C1 ZINC001090170619 922425526 /nfs/dbraw/zinc/42/55/26/922425526.db2.gz MMSCIYDNMNLSMD-CHWSQXEVSA-N 1 2 284.787 1.401 20 30 CDEDLO Cc1c[nH]c(C[NH+]2CCN(c3nccnc3C#N)CC2)c1C ZINC001140863073 936765709 /nfs/dbraw/zinc/76/57/09/936765709.db2.gz WWCFLDWZCHADSH-UHFFFAOYSA-N 1 2 296.378 1.615 20 30 CDEDLO C#CCC1(C(=O)NCC[NH2+]Cc2ncc(C)o2)CCC1 ZINC001129121218 922925491 /nfs/dbraw/zinc/92/54/91/922925491.db2.gz PARRLGFQGAXDSF-UHFFFAOYSA-N 1 2 275.352 1.382 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2sccc2C)C1 ZINC001035273530 922947750 /nfs/dbraw/zinc/94/77/50/922947750.db2.gz KCIZKOCCVLZGRT-CYBMUJFWSA-N 1 2 292.404 1.510 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2sccc2C)C1 ZINC001035273530 922947759 /nfs/dbraw/zinc/94/77/59/922947759.db2.gz KCIZKOCCVLZGRT-CYBMUJFWSA-N 1 2 292.404 1.510 20 30 CDEDLO C#Cc1ccc(CNC(=O)[C@@H](C)n2cc[nH+]c2)cc1 ZINC001141043037 936798839 /nfs/dbraw/zinc/79/88/39/936798839.db2.gz MDWKIPZLMFQLJY-GFCCVEGCSA-N 1 2 253.305 1.742 20 30 CDEDLO C[C@]1(CO)C[N@H+](Cc2ccc(F)cc2C#N)CC[C@H]1O ZINC001141164347 936823684 /nfs/dbraw/zinc/82/36/84/936823684.db2.gz YTYFOHQKKMMQLM-HUUCEWRRSA-N 1 2 278.327 1.263 20 30 CDEDLO C[C@]1(CO)C[N@@H+](Cc2ccc(F)cc2C#N)CC[C@H]1O ZINC001141164347 936823685 /nfs/dbraw/zinc/82/36/85/936823685.db2.gz YTYFOHQKKMMQLM-HUUCEWRRSA-N 1 2 278.327 1.263 20 30 CDEDLO C=CCCC(=O)N1CCC[N@@H+](Cc2snnc2C)CC1 ZINC001195225518 924505966 /nfs/dbraw/zinc/50/59/66/924505966.db2.gz FFFFKYUVGOHXOK-UHFFFAOYSA-N 1 2 294.424 1.847 20 30 CDEDLO C=CCCC(=O)N1CCC[N@H+](Cc2snnc2C)CC1 ZINC001195225518 924505969 /nfs/dbraw/zinc/50/59/69/924505969.db2.gz FFFFKYUVGOHXOK-UHFFFAOYSA-N 1 2 294.424 1.847 20 30 CDEDLO CC(=O)OCc1ccc(C[NH+]2CCN(CCC#N)CC2)o1 ZINC001141787692 936940255 /nfs/dbraw/zinc/94/02/55/936940255.db2.gz XABCZPOGSIQBJD-UHFFFAOYSA-N 1 2 291.351 1.374 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccoc2Cl)[C@H](OC)C1 ZINC001081596818 924774094 /nfs/dbraw/zinc/77/40/94/924774094.db2.gz NGQVPWVOTFHSRC-VXGBXAGGSA-N 1 2 296.754 1.385 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccoc2Cl)[C@H](OC)C1 ZINC001081596818 924774100 /nfs/dbraw/zinc/77/41/00/924774100.db2.gz NGQVPWVOTFHSRC-VXGBXAGGSA-N 1 2 296.754 1.385 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC(C)(C)C3CC3)[C@H]2C1 ZINC001083074418 925083261 /nfs/dbraw/zinc/08/32/61/925083261.db2.gz UQNYAIQABZVJJD-LSDHHAIUSA-N 1 2 290.407 1.358 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC(C)(C)C3CC3)[C@H]2C1 ZINC001083074418 925083267 /nfs/dbraw/zinc/08/32/67/925083267.db2.gz UQNYAIQABZVJJD-LSDHHAIUSA-N 1 2 290.407 1.358 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C3CC3)s2)[C@@H](O)C1 ZINC001083951869 925118826 /nfs/dbraw/zinc/11/88/26/925118826.db2.gz PNWJZYOFQQIOFH-NEPJUHHUSA-N 1 2 292.404 1.586 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(C3CC3)s2)[C@@H](O)C1 ZINC001083951869 925118831 /nfs/dbraw/zinc/11/88/31/925118831.db2.gz PNWJZYOFQQIOFH-NEPJUHHUSA-N 1 2 292.404 1.586 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC3(F)F)[C@@H]2C1 ZINC001084329486 925228946 /nfs/dbraw/zinc/22/89/46/925228946.db2.gz ZZROBBKJNYDDPO-OUAUKWLOSA-N 1 2 290.741 1.927 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC3(F)F)[C@@H]2C1 ZINC001084329486 925228953 /nfs/dbraw/zinc/22/89/53/925228953.db2.gz ZZROBBKJNYDDPO-OUAUKWLOSA-N 1 2 290.741 1.927 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(C(F)F)n1 ZINC001085618713 926214983 /nfs/dbraw/zinc/21/49/83/926214983.db2.gz UPNXUSDYZDOVFJ-SNVBAGLBSA-N 1 2 282.294 1.058 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(C(F)F)n1 ZINC001085618713 926214994 /nfs/dbraw/zinc/21/49/94/926214994.db2.gz UPNXUSDYZDOVFJ-SNVBAGLBSA-N 1 2 282.294 1.058 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1scnc1CC ZINC001085631014 926232134 /nfs/dbraw/zinc/23/21/34/926232134.db2.gz KLPVMPIUHFWLOB-LBPRGKRZSA-N 1 2 291.420 1.875 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1scnc1CC ZINC001085631014 926232143 /nfs/dbraw/zinc/23/21/43/926232143.db2.gz KLPVMPIUHFWLOB-LBPRGKRZSA-N 1 2 291.420 1.875 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cncc(CC)c1 ZINC001085725742 926326483 /nfs/dbraw/zinc/32/64/83/926326483.db2.gz DNPYXWCMWXXKQA-OAHLLOKOSA-N 1 2 271.364 1.424 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cncc(CC)c1 ZINC001085725742 926326486 /nfs/dbraw/zinc/32/64/86/926326486.db2.gz DNPYXWCMWXXKQA-OAHLLOKOSA-N 1 2 271.364 1.424 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(CCC)n[nH]1 ZINC001085753407 926354258 /nfs/dbraw/zinc/35/42/58/926354258.db2.gz GADZJMWBKQWJAG-ZDUSSCGKSA-N 1 2 274.368 1.142 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(CCC)n[nH]1 ZINC001085753407 926354266 /nfs/dbraw/zinc/35/42/66/926354266.db2.gz GADZJMWBKQWJAG-ZDUSSCGKSA-N 1 2 274.368 1.142 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nn(C)c(C)c1Cl ZINC001085848766 926445569 /nfs/dbraw/zinc/44/55/69/926445569.db2.gz GFNBLFHMIUCYOX-LLVKDONJSA-N 1 2 294.786 1.161 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nn(C)c(C)c1Cl ZINC001085848766 926445572 /nfs/dbraw/zinc/44/55/72/926445572.db2.gz GFNBLFHMIUCYOX-LLVKDONJSA-N 1 2 294.786 1.161 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nocc1C ZINC001085913161 926496865 /nfs/dbraw/zinc/49/68/65/926496865.db2.gz VRSFYNKGXXRVKG-GFCCVEGCSA-N 1 2 261.325 1.153 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nocc1C ZINC001085913161 926496872 /nfs/dbraw/zinc/49/68/72/926496872.db2.gz VRSFYNKGXXRVKG-GFCCVEGCSA-N 1 2 261.325 1.153 20 30 CDEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2CC#CC)nc1 ZINC001085933537 926518570 /nfs/dbraw/zinc/51/85/70/926518570.db2.gz DTRLBSXRZDXJDD-OAHLLOKOSA-N 1 2 281.359 1.233 20 30 CDEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2CC#CC)nc1 ZINC001085933537 926518577 /nfs/dbraw/zinc/51/85/77/926518577.db2.gz DTRLBSXRZDXJDD-OAHLLOKOSA-N 1 2 281.359 1.233 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1OC ZINC001085937507 926524393 /nfs/dbraw/zinc/52/43/93/926524393.db2.gz HRMPDYQACJDSFD-ZDUSSCGKSA-N 1 2 272.348 1.475 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1OC ZINC001085937507 926524401 /nfs/dbraw/zinc/52/44/01/926524401.db2.gz HRMPDYQACJDSFD-ZDUSSCGKSA-N 1 2 272.348 1.475 20 30 CDEDLO Cc1nc(N2CCC(C)(NC(=O)[C@H](C)C#N)CC2)cc[nH+]1 ZINC001110580512 926545215 /nfs/dbraw/zinc/54/52/15/926545215.db2.gz KQLCPQFHFKQTON-LLVKDONJSA-N 1 2 287.367 1.420 20 30 CDEDLO N#CC1(C(=O)N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)CC1 ZINC001143181756 937130348 /nfs/dbraw/zinc/13/03/48/937130348.db2.gz LQIJIINDCHJTII-NSHDSACASA-N 1 2 283.322 1.622 20 30 CDEDLO C#CCN(C(=O)C1CC1)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110617440 927339546 /nfs/dbraw/zinc/33/95/46/927339546.db2.gz XSQLETRWMCWYPL-UHFFFAOYSA-N 1 2 298.390 1.626 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Nc2ccccc2CS)C[NH2+]1 ZINC001169136377 927748077 /nfs/dbraw/zinc/74/80/77/927748077.db2.gz LHCINVIYIMCLER-PWSUYJOCSA-N 1 2 266.366 1.432 20 30 CDEDLO Cc1ccc(C(=NO)Nc2ccn3cc(N)[nH+]c3c2)nc1 ZINC001169408350 927997516 /nfs/dbraw/zinc/99/75/16/927997516.db2.gz NNICWIFWSFPJFL-UHFFFAOYSA-N 1 2 282.307 1.868 20 30 CDEDLO Cc1nc2ccccc2c(N2CC[NH2+]C[C@@H]2C#N)n1 ZINC001156321002 928046709 /nfs/dbraw/zinc/04/67/09/928046709.db2.gz LQXYAEPAGLWYOY-NSHDSACASA-N 1 2 253.309 1.240 20 30 CDEDLO CS(=O)(=O)C1CCC([NH+]2CC(CC#N)C2)CC1 ZINC001169870146 928490279 /nfs/dbraw/zinc/49/02/79/928490279.db2.gz HGBHYPXMPOIDHD-UHFFFAOYSA-N 1 2 256.371 1.188 20 30 CDEDLO Cc1nc(N2CC[C@@](C)(NC(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001110748341 928866891 /nfs/dbraw/zinc/86/68/91/928866891.db2.gz ZHAKWIDWTLPOLS-MRXNPFEDSA-N 1 2 286.379 1.529 20 30 CDEDLO C#CCCCC(=O)N[C@]1(C)CCN(c2cc[nH+]c(C)n2)C1 ZINC001110754875 928915683 /nfs/dbraw/zinc/91/56/83/928915683.db2.gz CLRNIDWRBRTBSQ-MRXNPFEDSA-N 1 2 286.379 1.674 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc3ccncc3c2)CC1 ZINC001151439697 937285855 /nfs/dbraw/zinc/28/58/55/937285855.db2.gz HDPRGXUSZHCMFV-UHFFFAOYSA-N 1 2 282.347 1.574 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(F)nc2)CC1 ZINC001112711447 929352523 /nfs/dbraw/zinc/35/25/23/929352523.db2.gz AWHOIJRLEQTINY-UHFFFAOYSA-N 1 2 293.342 1.181 20 30 CDEDLO C#CCCCCC(=O)N1CC[NH+](CCOCC(C)C)CC1 ZINC001112773979 929411836 /nfs/dbraw/zinc/41/18/36/929411836.db2.gz CUMOAZDDUYMITE-UHFFFAOYSA-N 1 2 294.439 1.997 20 30 CDEDLO C#CC[NH2+]C1(CNC(=O)C(F)C(F)(F)F)CCCCC1 ZINC001115546609 937392698 /nfs/dbraw/zinc/39/26/98/937392698.db2.gz VPLHWTSVXOQMOE-JTQLQIEISA-N 1 2 294.292 1.929 20 30 CDEDLO C#CC[NH2+]C1(CNC(=O)[C@H](F)C(F)(F)F)CCCCC1 ZINC001115546609 937392702 /nfs/dbraw/zinc/39/27/02/937392702.db2.gz VPLHWTSVXOQMOE-JTQLQIEISA-N 1 2 294.292 1.929 20 30 CDEDLO N#CCC(=O)N1CC[NH+](CCOC2CCCCC2)CC1 ZINC000886230022 930834497 /nfs/dbraw/zinc/83/44/97/930834497.db2.gz ZNZPBVYMPSNJCZ-UHFFFAOYSA-N 1 2 279.384 1.394 20 30 CDEDLO Cc1nc(N2CCC(CNC(=O)[C@@H](C)C#N)CC2)cc[nH+]1 ZINC001095344999 930934241 /nfs/dbraw/zinc/93/42/41/930934241.db2.gz XTWJAUCGXLGEAX-NSHDSACASA-N 1 2 287.367 1.277 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2nc(C)co2)C1=O ZINC001274372278 931495339 /nfs/dbraw/zinc/49/53/39/931495339.db2.gz LCDQSAVRAGBJKF-HNNXBMFYSA-N 1 2 275.352 1.736 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2nc(C)co2)C1=O ZINC001274372278 931495340 /nfs/dbraw/zinc/49/53/40/931495340.db2.gz LCDQSAVRAGBJKF-HNNXBMFYSA-N 1 2 275.352 1.736 20 30 CDEDLO C[N@H+]1C[C@H]2CN(CCCc3ccc(C#N)cc3)C[C@@H](C1)O2 ZINC001274892108 931603137 /nfs/dbraw/zinc/60/31/37/931603137.db2.gz KZGVQISZMLJJOW-CALCHBBNSA-N 1 2 285.391 1.506 20 30 CDEDLO C[N@@H+]1C[C@H]2CN(CCCc3ccc(C#N)cc3)C[C@@H](C1)O2 ZINC001274892108 931603144 /nfs/dbraw/zinc/60/31/44/931603144.db2.gz KZGVQISZMLJJOW-CALCHBBNSA-N 1 2 285.391 1.506 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cn3cccc(F)c3n2)CC1 ZINC001154543798 937556342 /nfs/dbraw/zinc/55/63/42/937556342.db2.gz MORDWSJJFGZRHK-UHFFFAOYSA-N 1 2 288.326 1.417 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)CCC(=O)c2ccccc2)C1 ZINC000586065862 932857863 /nfs/dbraw/zinc/85/78/63/932857863.db2.gz KPDLXCGWGKMRIT-MRXNPFEDSA-N 1 2 298.386 1.863 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCC(=O)c2ccccc2)C1 ZINC000586065862 932857868 /nfs/dbraw/zinc/85/78/68/932857868.db2.gz KPDLXCGWGKMRIT-MRXNPFEDSA-N 1 2 298.386 1.863 20 30 CDEDLO CC(C)CC(=O)N1CCC[N@H+](CC2(C#N)CC2)CC1 ZINC001119318662 937709299 /nfs/dbraw/zinc/70/92/99/937709299.db2.gz FMEURAHJXWPRQV-UHFFFAOYSA-N 1 2 263.385 1.871 20 30 CDEDLO CC(C)CC(=O)N1CCC[N@@H+](CC2(C#N)CC2)CC1 ZINC001119318662 937709301 /nfs/dbraw/zinc/70/93/01/937709301.db2.gz FMEURAHJXWPRQV-UHFFFAOYSA-N 1 2 263.385 1.871 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]nc1C)C2 ZINC001095841155 934673387 /nfs/dbraw/zinc/67/33/87/934673387.db2.gz AHSHXBYLMDUKFS-WXHSDQCUSA-N 1 2 294.786 1.806 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]nc1C)C2 ZINC001095841155 934673392 /nfs/dbraw/zinc/67/33/92/934673392.db2.gz AHSHXBYLMDUKFS-WXHSDQCUSA-N 1 2 294.786 1.806 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(CC)n1 ZINC001017623202 935645396 /nfs/dbraw/zinc/64/53/96/935645396.db2.gz QHSPICDIMWPFBZ-GASCZTMLSA-N 1 2 283.375 1.566 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(CC)n1 ZINC001017623202 935645398 /nfs/dbraw/zinc/64/53/98/935645398.db2.gz QHSPICDIMWPFBZ-GASCZTMLSA-N 1 2 283.375 1.566 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCO[C@@H]2C(C)C)C1 ZINC001042880811 935830369 /nfs/dbraw/zinc/83/03/69/935830369.db2.gz HDSOCDFVLAQXNE-HUUCEWRRSA-N 1 2 280.412 1.766 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@H]2C(F)F)C1 ZINC001042916897 935830972 /nfs/dbraw/zinc/83/09/72/935830972.db2.gz XPPJZMSJIBAXLO-NEPJUHHUSA-N 1 2 272.339 1.996 20 30 CDEDLO N#Cc1ccc(N2CCC(c3c[nH]c[nH+]3)CC2)nc1N ZINC001120906118 937846373 /nfs/dbraw/zinc/84/63/73/937846373.db2.gz APBKTOYHXRDEEM-UHFFFAOYSA-N 1 2 268.324 1.643 20 30 CDEDLO C#CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc2[nH]nnc2c1 ZINC001156858613 938426942 /nfs/dbraw/zinc/42/69/42/938426942.db2.gz ZANNZETWVCWAQV-LLVKDONJSA-N 1 2 285.351 1.031 20 30 CDEDLO C#CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc2[nH]nnc2c1 ZINC001156858613 938426945 /nfs/dbraw/zinc/42/69/45/938426945.db2.gz ZANNZETWVCWAQV-LLVKDONJSA-N 1 2 285.351 1.031 20 30 CDEDLO N#Cc1ccnnc1NC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156964559 938439458 /nfs/dbraw/zinc/43/94/58/938439458.db2.gz PFHUNNIHZIPOAY-UHFFFAOYSA-N 1 2 279.263 1.059 20 30 CDEDLO CC(C)C[C@H](C#N)NC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156979665 938443456 /nfs/dbraw/zinc/44/34/56/938443456.db2.gz WXBPUIMCTHLOGL-SNVBAGLBSA-N 1 2 271.324 1.813 20 30 CDEDLO COC(=O)[C@H]1CN(c2ccc(CC#N)c(C)[nH+]2)C[C@@H]1C ZINC001158514431 938631698 /nfs/dbraw/zinc/63/16/98/938631698.db2.gz VKJPTNOSNKGWBP-GWCFXTLKSA-N 1 2 273.336 1.701 20 30 CDEDLO C=CC[C@@H](Nc1cc(-n2ccnc2)cc[nH+]1)C(=O)OC ZINC001158862646 938672904 /nfs/dbraw/zinc/67/29/04/938672904.db2.gz NJKLVNSVBQQPMH-GFCCVEGCSA-N 1 2 272.308 1.797 20 30 CDEDLO N#Cc1ccccc1C[NH+]1CC2(C[C@@H]2C(=O)N2CC=CC2)C1 ZINC001278239714 945200220 /nfs/dbraw/zinc/20/02/20/945200220.db2.gz WKTRGGDAVNCNIH-MRXNPFEDSA-N 1 2 293.370 1.779 20 30 CDEDLO COc1cnc(NCCCn2cc[nH+]c2)c(C#N)c1 ZINC001161681307 938919752 /nfs/dbraw/zinc/91/97/52/938919752.db2.gz QDDWGBLMUFJYJU-UHFFFAOYSA-N 1 2 257.297 1.661 20 30 CDEDLO C#CCCCNc1[nH+]cnc2[nH]cc([S@@](C)=O)c21 ZINC001162438888 939053653 /nfs/dbraw/zinc/05/36/53/939053653.db2.gz CGNZSRPBZREHIH-GOSISDBHSA-N 1 2 262.338 1.472 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1ncc(F)cc1C#N ZINC001162849279 939152331 /nfs/dbraw/zinc/15/23/31/939152331.db2.gz JYUBUHJSWNNGIT-JTQLQIEISA-N 1 2 280.303 1.173 20 30 CDEDLO COc1nc(NCc2ccc3[nH+]ccn3c2)ncc1C#N ZINC001163136822 939210306 /nfs/dbraw/zinc/21/03/06/939210306.db2.gz QGNJPIWEMLRGIL-UHFFFAOYSA-N 1 2 280.291 1.617 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2cc(C#N)cc3[nH]ccc32)C[NH2+]1 ZINC001164312643 939451961 /nfs/dbraw/zinc/45/19/61/939451961.db2.gz UONWKFLDNZNQDS-HZMBPMFUSA-N 1 2 284.319 1.355 20 30 CDEDLO CSc1cc(Cl)ncc1N1CC[NH2+]C[C@H]1C#N ZINC001164640679 939500959 /nfs/dbraw/zinc/50/09/59/939500959.db2.gz DEXPGICDQDIIJO-MRVPVSSYSA-N 1 2 268.773 1.759 20 30 CDEDLO Cc1nc2ccc(F)cc2c(N2CC[NH2+]C[C@H]2C#N)n1 ZINC001164641066 939500970 /nfs/dbraw/zinc/50/09/70/939500970.db2.gz FMDJXMJJLNXJNH-LLVKDONJSA-N 1 2 271.299 1.379 20 30 CDEDLO C[C@@H](O)[C@@H]([NH3+])c1nc(-c2cc(C#N)ccc2F)no1 ZINC001204828863 939795747 /nfs/dbraw/zinc/79/57/47/939795747.db2.gz WWOFNSWOBRUTPY-LHLIQPBNSA-N 1 2 262.244 1.128 20 30 CDEDLO Cc1noc(C[NH2+][C@H]2CCCN(C(=O)C#CC(C)C)C2)n1 ZINC001207995141 940275579 /nfs/dbraw/zinc/27/55/79/940275579.db2.gz BFGGRLPCVMYFPC-ZDUSSCGKSA-N 1 2 290.367 1.118 20 30 CDEDLO CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001208956241 940411896 /nfs/dbraw/zinc/41/18/96/940411896.db2.gz BDZMQUAFLHDOQB-JSGCOSHPSA-N 1 2 294.420 1.519 20 30 CDEDLO CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001208956241 940411898 /nfs/dbraw/zinc/41/18/98/940411898.db2.gz BDZMQUAFLHDOQB-JSGCOSHPSA-N 1 2 294.420 1.519 20 30 CDEDLO C#CCCC[N@H+]1CCc2oc(C(=O)OCC)nc2C1 ZINC001209270243 940455724 /nfs/dbraw/zinc/45/57/24/940455724.db2.gz XFQQTBVHCRZSHD-UHFFFAOYSA-N 1 2 262.309 1.623 20 30 CDEDLO C#CCCC[N@@H+]1CCc2oc(C(=O)OCC)nc2C1 ZINC001209270243 940455726 /nfs/dbraw/zinc/45/57/26/940455726.db2.gz XFQQTBVHCRZSHD-UHFFFAOYSA-N 1 2 262.309 1.623 20 30 CDEDLO CCCCC[C@H]([NH2+]C)C(=O)N=C(NC#N)c1ccncc1 ZINC001219972729 941400768 /nfs/dbraw/zinc/40/07/68/941400768.db2.gz VEIYLPUHHQUEKM-ZDUSSCGKSA-N 1 2 287.367 1.594 20 30 CDEDLO C=CCCC(=O)NCC1CC[NH+](Cc2cnon2)CC1 ZINC001222609854 941619944 /nfs/dbraw/zinc/61/99/44/941619944.db2.gz SEIKNNVJXZIQQR-UHFFFAOYSA-N 1 2 278.356 1.364 20 30 CDEDLO Cc1c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC001225690439 941900407 /nfs/dbraw/zinc/90/04/07/941900407.db2.gz XILXVMQPXFYWTE-HJTUNCCVSA-N 1 2 290.319 1.894 20 30 CDEDLO Cc1c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cccc1[N+](=O)[O-] ZINC001225690439 941900409 /nfs/dbraw/zinc/90/04/09/941900409.db2.gz XILXVMQPXFYWTE-HJTUNCCVSA-N 1 2 290.319 1.894 20 30 CDEDLO Cc1nnc(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)o1 ZINC001226460111 942008209 /nfs/dbraw/zinc/00/82/09/942008209.db2.gz WXDVNFGVDKBPBA-CQSZACIVSA-N 1 2 284.319 1.903 20 30 CDEDLO Cc1nnc(O[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)o1 ZINC001226460111 942008214 /nfs/dbraw/zinc/00/82/14/942008214.db2.gz WXDVNFGVDKBPBA-CQSZACIVSA-N 1 2 284.319 1.903 20 30 CDEDLO C[C@@H](C#N)C(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC001226647879 942041455 /nfs/dbraw/zinc/04/14/55/942041455.db2.gz DWYWZHWRVIJQEA-JTQLQIEISA-N 1 2 278.381 1.383 20 30 CDEDLO Cc1cnc(F)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001228587755 942338059 /nfs/dbraw/zinc/33/80/59/942338059.db2.gz SXZXNPZXTXEMGL-NJFCNUMCSA-N 1 2 264.300 1.520 20 30 CDEDLO Cc1cnc(F)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001228587755 942338065 /nfs/dbraw/zinc/33/80/65/942338065.db2.gz SXZXNPZXTXEMGL-NJFCNUMCSA-N 1 2 264.300 1.520 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4nccnc4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228605610 942340747 /nfs/dbraw/zinc/34/07/47/942340747.db2.gz JMPRINJSRNAZPS-BDOHNGBXSA-N 1 2 283.331 1.621 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4nccnc4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228605610 942340750 /nfs/dbraw/zinc/34/07/50/942340750.db2.gz JMPRINJSRNAZPS-BDOHNGBXSA-N 1 2 283.331 1.621 20 30 CDEDLO CCCCCCCNC(=S)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC001277427984 942548085 /nfs/dbraw/zinc/54/80/85/942548085.db2.gz IINBSKCCGVJRAL-KBPBESRZSA-N 1 2 299.484 1.846 20 30 CDEDLO CCCCCCCNC(=S)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC001277427984 942548092 /nfs/dbraw/zinc/54/80/92/942548092.db2.gz IINBSKCCGVJRAL-KBPBESRZSA-N 1 2 299.484 1.846 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2ccc(C3(C#N)CC3)cc2)C1 ZINC001229944988 942555461 /nfs/dbraw/zinc/55/54/61/942555461.db2.gz RTESCQBOKSAZMN-HNNXBMFYSA-N 1 2 272.348 1.951 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2ccc(C3(C#N)CC3)cc2)C1 ZINC001229944988 942555466 /nfs/dbraw/zinc/55/54/66/942555466.db2.gz RTESCQBOKSAZMN-HNNXBMFYSA-N 1 2 272.348 1.951 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC(C)C ZINC001230646332 942665399 /nfs/dbraw/zinc/66/53/99/942665399.db2.gz LNUTXMJBBGDZGW-ZIAGYGMSSA-N 1 2 295.427 1.256 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(C)C ZINC001230646332 942665401 /nfs/dbraw/zinc/66/54/01/942665401.db2.gz LNUTXMJBBGDZGW-ZIAGYGMSSA-N 1 2 295.427 1.256 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(C4CC4)nn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001231026748 942759897 /nfs/dbraw/zinc/75/98/97/942759897.db2.gz YUSLWDHSBASVSY-HJTUNCCVSA-N 1 2 273.336 1.345 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(C4CC4)nn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001231026748 942759900 /nfs/dbraw/zinc/75/99/00/942759900.db2.gz YUSLWDHSBASVSY-HJTUNCCVSA-N 1 2 273.336 1.345 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NCCC ZINC001231122808 942791931 /nfs/dbraw/zinc/79/19/31/942791931.db2.gz OGJZFIVPHKWVTO-ZDUSSCGKSA-N 1 2 281.400 1.012 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NCCC ZINC001231122808 942791935 /nfs/dbraw/zinc/79/19/35/942791935.db2.gz OGJZFIVPHKWVTO-ZDUSSCGKSA-N 1 2 281.400 1.012 20 30 CDEDLO COc1cc(C#N)ccc1C[NH+]1CCN(C2COC2)CC1 ZINC001231616795 942945321 /nfs/dbraw/zinc/94/53/21/942945321.db2.gz NGDCKHJTTCVZHU-UHFFFAOYSA-N 1 2 287.363 1.083 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(C#N)ccc2O)CC12CC2 ZINC001232681690 943362126 /nfs/dbraw/zinc/36/21/26/943362126.db2.gz UJRSAXUCIMNZDD-ZDUSSCGKSA-N 1 2 286.331 1.649 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2O)CC12CC2 ZINC001232681690 943362135 /nfs/dbraw/zinc/36/21/35/943362135.db2.gz UJRSAXUCIMNZDD-ZDUSSCGKSA-N 1 2 286.331 1.649 20 30 CDEDLO Cc1[nH+]cc2n1CCN(Cc1ccc(C#N)cc1O)C2 ZINC001233384133 943571794 /nfs/dbraw/zinc/57/17/94/943571794.db2.gz IHPGSVNCSWCWLJ-UHFFFAOYSA-N 1 2 268.320 1.785 20 30 CDEDLO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1ccc(C#N)cc1O ZINC001233388402 943576368 /nfs/dbraw/zinc/57/63/68/943576368.db2.gz YEEYKBWZRSVOSA-KBPBESRZSA-N 1 2 257.337 1.542 20 30 CDEDLO CC[N@H+]1C[C@@H]2C[C@H]1CN2Cc1ccc(C#N)cc1O ZINC001233388402 943576370 /nfs/dbraw/zinc/57/63/70/943576370.db2.gz YEEYKBWZRSVOSA-KBPBESRZSA-N 1 2 257.337 1.542 20 30 CDEDLO CCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1O ZINC001233388402 943576373 /nfs/dbraw/zinc/57/63/73/943576373.db2.gz YEEYKBWZRSVOSA-KBPBESRZSA-N 1 2 257.337 1.542 20 30 CDEDLO CCN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1O ZINC001233388402 943576375 /nfs/dbraw/zinc/57/63/75/943576375.db2.gz YEEYKBWZRSVOSA-KBPBESRZSA-N 1 2 257.337 1.542 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cnc(C)o1 ZINC001233946688 943698666 /nfs/dbraw/zinc/69/86/66/943698666.db2.gz DFBXOLJUMCBHAS-CQSZACIVSA-N 1 2 289.379 1.819 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cnc(C)o1 ZINC001233946688 943698669 /nfs/dbraw/zinc/69/86/69/943698669.db2.gz DFBXOLJUMCBHAS-CQSZACIVSA-N 1 2 289.379 1.819 20 30 CDEDLO COc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)ccc1C#N ZINC001234497956 943866283 /nfs/dbraw/zinc/86/62/83/943866283.db2.gz WMVCKWGLCWAXKH-NQPNPBMCSA-N 1 2 286.331 1.558 20 30 CDEDLO COc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)ccc1C#N ZINC001234497956 943866290 /nfs/dbraw/zinc/86/62/90/943866290.db2.gz WMVCKWGLCWAXKH-NQPNPBMCSA-N 1 2 286.331 1.558 20 30 CDEDLO C#CCO[C@@H](C)C(=O)OCCc1cn2c([nH+]1)CCCC2 ZINC001263500632 943876587 /nfs/dbraw/zinc/87/65/87/943876587.db2.gz PYIYQALPBKPKAT-LBPRGKRZSA-N 1 2 276.336 1.343 20 30 CDEDLO C=C(C)CN(CC)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001263778928 943971890 /nfs/dbraw/zinc/97/18/90/943971890.db2.gz UWHZOJKBJSSHGU-KGLIPLIRSA-N 1 2 282.432 1.228 20 30 CDEDLO C=C(C)CN(CC)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001263778928 943971895 /nfs/dbraw/zinc/97/18/95/943971895.db2.gz UWHZOJKBJSSHGU-KGLIPLIRSA-N 1 2 282.432 1.228 20 30 CDEDLO C#CCN1CC[NH+](Cc2ccn3nccc3c2)CC1 ZINC001237543181 944830922 /nfs/dbraw/zinc/83/09/22/944830922.db2.gz SXXSAGVLXJZMCH-UHFFFAOYSA-N 1 2 254.337 1.085 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccn3nccc3c2)CC1 ZINC001237543181 944830932 /nfs/dbraw/zinc/83/09/32/944830932.db2.gz SXXSAGVLXJZMCH-UHFFFAOYSA-N 1 2 254.337 1.085 20 30 CDEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc(C(=O)OC)n(C)n2)C1 ZINC001237572759 944851976 /nfs/dbraw/zinc/85/19/76/944851976.db2.gz NZRUQBYUHDTPAP-LLVKDONJSA-N 1 2 261.325 1.052 20 30 CDEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(C(=O)OC)n(C)n2)C1 ZINC001237572759 944851983 /nfs/dbraw/zinc/85/19/83/944851983.db2.gz NZRUQBYUHDTPAP-LLVKDONJSA-N 1 2 261.325 1.052 20 30 CDEDLO COc1nc(-c2ccc(C[NH+]3CC(O)C3)cc2)ncc1C#N ZINC001243636205 947162531 /nfs/dbraw/zinc/16/25/31/947162531.db2.gz BLWLREDFIOVFAX-UHFFFAOYSA-N 1 2 296.330 1.200 20 30 CDEDLO C#CC[NH+]1CCN([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254560531 947523602 /nfs/dbraw/zinc/52/36/02/947523602.db2.gz VCEUAZWGOVBEOJ-CQSZACIVSA-N 1 2 287.363 1.777 20 30 CDEDLO COC(=O)[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CCOCC1 ZINC001254637441 947564089 /nfs/dbraw/zinc/56/40/89/947564089.db2.gz PCJCTSAOKZPNCV-UHTWSYAYSA-N 1 2 266.341 1.236 20 30 CDEDLO CCOC(=O)c1noc(C[NH2+][C@H]2CC[C@H](C#N)C2)n1 ZINC001254645188 947568113 /nfs/dbraw/zinc/56/81/13/947568113.db2.gz ASMMGINZXZZSHQ-IUCAKERBSA-N 1 2 264.285 1.028 20 30 CDEDLO CC[C@H](CC#N)N1CC([N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001255177998 947768765 /nfs/dbraw/zinc/76/87/65/947768765.db2.gz ZYDJJPBMEYKYKP-FRRDWIJNSA-N 1 2 251.374 1.472 20 30 CDEDLO CC[C@H](CC#N)N1CC([N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001255177998 947768771 /nfs/dbraw/zinc/76/87/71/947768771.db2.gz ZYDJJPBMEYKYKP-FRRDWIJNSA-N 1 2 251.374 1.472 20 30 CDEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1[C@H]1CCSC1 ZINC001255283838 947806844 /nfs/dbraw/zinc/80/68/44/947806844.db2.gz DCKOPOUIAUFHQJ-AAEUAGOBSA-N 1 2 294.424 1.422 20 30 CDEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1[C@H]1CCSC1 ZINC001255283838 947806852 /nfs/dbraw/zinc/80/68/52/947806852.db2.gz DCKOPOUIAUFHQJ-AAEUAGOBSA-N 1 2 294.424 1.422 20 30 CDEDLO N#Cc1cc(Cl)c(-c2noc([C@H]([NH3+])CO)n2)cc1Cl ZINC001247492488 948646446 /nfs/dbraw/zinc/64/64/46/948646446.db2.gz GHPWBOOLSPAJMF-SECBINFHSA-N 1 2 299.117 1.907 20 30 CDEDLO C=CCCCNC(=S)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC001247740547 948735259 /nfs/dbraw/zinc/73/52/59/948735259.db2.gz FFXDECZNZUTIMM-ZDUSSCGKSA-N 1 2 283.441 1.234 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2occ(C)c2C)CC1 ZINC001258481057 948876833 /nfs/dbraw/zinc/87/68/33/948876833.db2.gz FQFJIESXPMAAKY-UHFFFAOYSA-N 1 2 260.337 1.678 20 30 CDEDLO N#Cc1ccc(-c2noc([C@@H]3CSCC[NH2+]3)n2)nc1 ZINC001248601221 949082760 /nfs/dbraw/zinc/08/27/60/949082760.db2.gz GTMAHAZZXGLPQN-JTQLQIEISA-N 1 2 273.321 1.381 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(C)c(OC)nc2OC)CC1 ZINC001250342735 950127863 /nfs/dbraw/zinc/12/78/63/950127863.db2.gz LLXWJPLOZFKJJE-UHFFFAOYSA-N 1 2 289.379 1.158 20 30 CDEDLO C=CCCCCCC[C@H](O)C[N@@H+]1CCO[C@@H](C(=O)OC)C1 ZINC001253234331 951820419 /nfs/dbraw/zinc/82/04/19/951820419.db2.gz ZCXQCSOTTFWWMK-LSDHHAIUSA-N 1 2 299.411 1.748 20 30 CDEDLO C=CCCCCCC[C@H](O)C[N@H+]1CCO[C@@H](C(=O)OC)C1 ZINC001253234331 951820428 /nfs/dbraw/zinc/82/04/28/951820428.db2.gz ZCXQCSOTTFWWMK-LSDHHAIUSA-N 1 2 299.411 1.748 20 30 CDEDLO C=CCC(CC=C)C(=O)N1CC[NH2+]C[C@H]1C(=O)OCC ZINC001326309579 954311712 /nfs/dbraw/zinc/31/17/12/954311712.db2.gz OHLMPLFNJIUCQQ-ZDUSSCGKSA-N 1 2 280.368 1.118 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC001364444107 954621358 /nfs/dbraw/zinc/62/13/58/954621358.db2.gz LSGDTWNESYDNAP-DTWKUNHWSA-N 1 2 287.323 1.487 20 30 CDEDLO C[NH+]1CCC(ONC(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC001327429300 954875412 /nfs/dbraw/zinc/87/54/12/954875412.db2.gz NWQICHJAZAUNDB-UHFFFAOYSA-N 1 2 299.374 1.732 20 30 CDEDLO N#C[C@@H]1CC[C@H]([NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)C1 ZINC001329113984 955693765 /nfs/dbraw/zinc/69/37/65/955693765.db2.gz LRBDOZLVCDTPBO-VWYCJHECSA-N 1 2 261.329 1.438 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccn(C(F)F)n1 ZINC001492261417 955765188 /nfs/dbraw/zinc/76/51/88/955765188.db2.gz BUSUUXZVVGVIJV-UHFFFAOYSA-N 1 2 292.717 1.692 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccn(C(F)F)n1 ZINC001492261417 955765195 /nfs/dbraw/zinc/76/51/95/955765195.db2.gz BUSUUXZVVGVIJV-UHFFFAOYSA-N 1 2 292.717 1.692 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2nc(CO)cs2)CC1 ZINC001308945473 956603683 /nfs/dbraw/zinc/60/36/83/956603683.db2.gz CXNUDGNSZADFIC-UHFFFAOYSA-N 1 2 268.382 1.538 20 30 CDEDLO C=C(C)CN(C)C(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001331374941 957003151 /nfs/dbraw/zinc/00/31/51/957003151.db2.gz NHQCRWYTDYLYCW-CYBMUJFWSA-N 1 2 290.367 1.081 20 30 CDEDLO C=CCC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001333074255 958056464 /nfs/dbraw/zinc/05/64/64/958056464.db2.gz WQVAUOZPHYNQOJ-CHWSQXEVSA-N 1 2 289.379 1.453 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1cncs1 ZINC001367522141 958098383 /nfs/dbraw/zinc/09/83/83/958098383.db2.gz KDNVOMNLVDYJOD-UHFFFAOYSA-N 1 2 287.816 1.828 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1cncs1 ZINC001367522141 958098394 /nfs/dbraw/zinc/09/83/94/958098394.db2.gz KDNVOMNLVDYJOD-UHFFFAOYSA-N 1 2 287.816 1.828 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COCC ZINC001368043880 958601041 /nfs/dbraw/zinc/60/10/41/958601041.db2.gz XIFIOYDQEPECFK-OLZOCXBDSA-N 1 2 286.803 1.841 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COCC ZINC001368043880 958601050 /nfs/dbraw/zinc/60/10/50/958601050.db2.gz XIFIOYDQEPECFK-OLZOCXBDSA-N 1 2 286.803 1.841 20 30 CDEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001334949784 959483033 /nfs/dbraw/zinc/48/30/33/959483033.db2.gz YDAKWLDLPZDGAG-QWHCGFSZSA-N 1 2 275.352 1.970 20 30 CDEDLO C[C@H](C(=O)N1CCCC(C)(C)[C@H]1C#N)n1cc[nH+]c1 ZINC001321161867 959625890 /nfs/dbraw/zinc/62/58/90/959625890.db2.gz RBURUYUAHYDAMW-VXGBXAGGSA-N 1 2 260.341 1.985 20 30 CDEDLO N#Cc1ccnc(C(=O)N2CCc3cc[nH+]c(N)c3C2)c1 ZINC001434258975 961119653 /nfs/dbraw/zinc/11/96/53/961119653.db2.gz RMVUAERRXRDREB-UHFFFAOYSA-N 1 2 279.303 1.129 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C1(CCOC)CC1 ZINC001420579209 963087670 /nfs/dbraw/zinc/08/76/70/963087670.db2.gz BBBBOBIZNPGMOD-GFCCVEGCSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C1(CCOC)CC1 ZINC001420579209 963087681 /nfs/dbraw/zinc/08/76/81/963087681.db2.gz BBBBOBIZNPGMOD-GFCCVEGCSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)C1=CCOCC1)C1CC1 ZINC001420649873 963157179 /nfs/dbraw/zinc/15/71/79/963157179.db2.gz FGKVTCDXRZTUPG-UHFFFAOYSA-N 1 2 284.787 1.666 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)C1=CCOCC1)C1CC1 ZINC001420649873 963157183 /nfs/dbraw/zinc/15/71/83/963157183.db2.gz FGKVTCDXRZTUPG-UHFFFAOYSA-N 1 2 284.787 1.666 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)c1ccc(C#N)cc1F ZINC001438636826 963509012 /nfs/dbraw/zinc/50/90/12/963509012.db2.gz OFSHITIULREFAL-UHFFFAOYSA-N 1 2 258.256 1.361 20 30 CDEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N(C)OC ZINC001342341013 963714200 /nfs/dbraw/zinc/71/42/00/963714200.db2.gz KIJZZMWUMJRQKY-UHFFFAOYSA-N 1 2 279.388 1.838 20 30 CDEDLO CCCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001346199502 964981354 /nfs/dbraw/zinc/98/13/54/964981354.db2.gz YHZQNNFTLSPXMW-KBPBESRZSA-N 1 2 293.411 1.874 20 30 CDEDLO CCCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001346199502 964981360 /nfs/dbraw/zinc/98/13/60/964981360.db2.gz YHZQNNFTLSPXMW-KBPBESRZSA-N 1 2 293.411 1.874 20 30 CDEDLO C[C@@H](CC(=O)[C@H](C#N)c1ccncn1)n1cc[nH+]c1 ZINC001347230160 965429608 /nfs/dbraw/zinc/42/96/08/965429608.db2.gz DUCHGIHJOABVPB-WDEREUQCSA-N 1 2 255.281 1.501 20 30 CDEDLO C=C[C@@H](COC)[NH2+]Cc1cn(-c2ccc(F)cc2)nn1 ZINC001348100056 965819971 /nfs/dbraw/zinc/81/99/71/965819971.db2.gz PDXIGHCIIAKYOI-LBPRGKRZSA-N 1 2 276.315 1.697 20 30 CDEDLO C#CCN(CC1CC1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001350956319 966810762 /nfs/dbraw/zinc/81/07/62/966810762.db2.gz RYEKDOYULMFIGA-CYBMUJFWSA-N 1 2 257.337 1.317 20 30 CDEDLO N#Cc1cccc(NC2CC[NH+]([C@@H]3CCOC3=O)CC2)n1 ZINC001458268782 969275508 /nfs/dbraw/zinc/27/55/08/969275508.db2.gz VIXWBYCNGPRRMA-CYBMUJFWSA-N 1 2 286.335 1.145 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1[nH]c(C)nc1C)C1CC1 ZINC001372862445 973178509 /nfs/dbraw/zinc/17/85/09/973178509.db2.gz XEYAVUCTOVNSGV-UHFFFAOYSA-N 1 2 296.802 1.973 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1[nH]c(C)nc1C)C1CC1 ZINC001372862445 973178512 /nfs/dbraw/zinc/17/85/12/973178512.db2.gz XEYAVUCTOVNSGV-UHFFFAOYSA-N 1 2 296.802 1.973 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1snnc1C ZINC001377470360 975039079 /nfs/dbraw/zinc/03/90/79/975039079.db2.gz AKUNPKFUUVQCIX-JTQLQIEISA-N 1 2 295.412 1.334 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1snnc1C ZINC001377470360 975039084 /nfs/dbraw/zinc/03/90/84/975039084.db2.gz AKUNPKFUUVQCIX-JTQLQIEISA-N 1 2 295.412 1.334 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1csc(=O)[nH]1 ZINC001505983692 975072095 /nfs/dbraw/zinc/07/20/95/975072095.db2.gz GZLCOGCHTCZAQF-MRVPVSSYSA-N 1 2 289.788 1.651 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1csc(=O)[nH]1 ZINC001505983692 975072097 /nfs/dbraw/zinc/07/20/97/975072097.db2.gz GZLCOGCHTCZAQF-MRVPVSSYSA-N 1 2 289.788 1.651 20 30 CDEDLO C[C@H](C#N)C(=O)NC1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001404720355 975467825 /nfs/dbraw/zinc/46/78/25/975467825.db2.gz IGGLPEBLTJOZJK-GFCCVEGCSA-N 1 2 283.375 1.635 20 30 CDEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1cocn1 ZINC001379032182 975609931 /nfs/dbraw/zinc/60/99/31/975609931.db2.gz KHBWAEMHZANQFN-UHFFFAOYSA-N 1 2 298.346 1.750 20 30 CDEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1cocn1 ZINC001379032182 975609934 /nfs/dbraw/zinc/60/99/34/975609934.db2.gz KHBWAEMHZANQFN-UHFFFAOYSA-N 1 2 298.346 1.750 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)Cc2ncc[nH]2)C1 ZINC001405167952 975655975 /nfs/dbraw/zinc/65/59/75/975655975.db2.gz APYWDCLQDHVCPL-GFCCVEGCSA-N 1 2 296.802 1.628 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2ncc[nH]2)C1 ZINC001405167952 975655980 /nfs/dbraw/zinc/65/59/80/975655980.db2.gz APYWDCLQDHVCPL-GFCCVEGCSA-N 1 2 296.802 1.628 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccsn1 ZINC001401749254 975875636 /nfs/dbraw/zinc/87/56/36/975875636.db2.gz DWRGNFCIIZYIHH-VIFPVBQESA-N 1 2 273.789 1.946 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccsn1 ZINC001401749254 975875646 /nfs/dbraw/zinc/87/56/46/975875646.db2.gz DWRGNFCIIZYIHH-VIFPVBQESA-N 1 2 273.789 1.946 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)COc1cccnc1 ZINC001399591923 976591810 /nfs/dbraw/zinc/59/18/10/976591810.db2.gz FOYBSJXJUUBSCS-UHFFFAOYSA-N 1 2 283.759 1.261 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)COc1cccnc1 ZINC001399591923 976591815 /nfs/dbraw/zinc/59/18/15/976591815.db2.gz FOYBSJXJUUBSCS-UHFFFAOYSA-N 1 2 283.759 1.261 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnn(C)c1CC ZINC001390944343 976615300 /nfs/dbraw/zinc/61/53/00/976615300.db2.gz RSAABZDCARMPST-UHFFFAOYSA-N 1 2 298.818 1.787 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnn(C)c1CC ZINC001390944343 976615307 /nfs/dbraw/zinc/61/53/07/976615307.db2.gz RSAABZDCARMPST-UHFFFAOYSA-N 1 2 298.818 1.787 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccnc(OC)n1 ZINC001403136700 976753136 /nfs/dbraw/zinc/75/31/36/976753136.db2.gz GVGIKNDSAHXSBY-SNVBAGLBSA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccnc(OC)n1 ZINC001403136700 976753147 /nfs/dbraw/zinc/75/31/47/976753147.db2.gz GVGIKNDSAHXSBY-SNVBAGLBSA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cn(C)cn1)C1CC1 ZINC001400001637 976799962 /nfs/dbraw/zinc/79/99/62/976799962.db2.gz TWZULIBAGDNFLU-UHFFFAOYSA-N 1 2 282.775 1.367 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cn(C)cn1)C1CC1 ZINC001400001637 976799974 /nfs/dbraw/zinc/79/99/74/976799974.db2.gz TWZULIBAGDNFLU-UHFFFAOYSA-N 1 2 282.775 1.367 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+]Cc1csnn1 ZINC001132302573 1163231693 /nfs/dbraw/zinc/23/16/93/1163231693.db2.gz UMQPOILZOWEFIW-UHFFFAOYSA-N 1 2 268.386 1.346 20 30 CDEDLO C#CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(=O)[O-] ZINC001588421339 983440651 /nfs/dbraw/zinc/44/06/51/983440651.db2.gz HGECVBNCUNDZDA-ZDUSSCGKSA-N 1 2 273.336 1.117 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001132651366 1163425280 /nfs/dbraw/zinc/42/52/80/1163425280.db2.gz WZNTXBKSYIJMTA-LLVKDONJSA-N 1 2 265.357 1.791 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001132667508 1163431575 /nfs/dbraw/zinc/43/15/75/1163431575.db2.gz MVNOTCKPUSGADV-LLVKDONJSA-N 1 2 292.383 1.755 20 30 CDEDLO C=CCCCC(=O)NC1CC(C[NH2+]Cc2c[nH]nn2)C1 ZINC001575094125 1171110126 /nfs/dbraw/zinc/11/01/26/1171110126.db2.gz VAGDRJJFBBFCDZ-UHFFFAOYSA-N 1 2 277.372 1.145 20 30 CDEDLO C=CCCCC(=O)NC1CC(C[NH2+]Cc2cn[nH]n2)C1 ZINC001575094125 1171110129 /nfs/dbraw/zinc/11/01/29/1171110129.db2.gz VAGDRJJFBBFCDZ-UHFFFAOYSA-N 1 2 277.372 1.145 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2cccnc2)CC1 ZINC000143964769 341980223 /nfs/dbraw/zinc/98/02/23/341980223.db2.gz ZEISMOFEQAFUPP-UHFFFAOYSA-N 1 2 259.353 1.344 20 30 CDEDLO COc1ccncc1C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000588203903 342494504 /nfs/dbraw/zinc/49/45/04/342494504.db2.gz TVQXMLIQHCHZKG-HNNXBMFYSA-N 1 2 288.395 1.756 20 30 CDEDLO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1nnnn1C1CC1)CC2 ZINC000589341762 342504057 /nfs/dbraw/zinc/50/40/57/342504057.db2.gz YNRJAHGCSPZTHC-AWEZNQCLSA-N 1 2 280.335 1.657 20 30 CDEDLO Cc1c[nH+]ccc1NS(=O)(=O)c1cccc(CC#N)c1 ZINC000589585031 342509331 /nfs/dbraw/zinc/50/93/31/342509331.db2.gz DVQFCMZNLDLHGT-UHFFFAOYSA-N 1 2 287.344 1.679 20 30 CDEDLO C=C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)C(=O)OC ZINC000589655684 342511171 /nfs/dbraw/zinc/51/11/71/342511171.db2.gz GNMJONMFUKZPSB-JSGCOSHPSA-N 1 2 292.354 1.969 20 30 CDEDLO N#Cc1cnc(N2CCc3[nH+]c[nH]c3C2)c(Cl)c1 ZINC000590568052 342576116 /nfs/dbraw/zinc/57/61/16/342576116.db2.gz ZILBAIYQOSDKML-UHFFFAOYSA-N 1 2 259.700 1.892 20 30 CDEDLO C=CCCOCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000625207025 342040940 /nfs/dbraw/zinc/04/09/40/342040940.db2.gz OZKZFLZDAUMQGZ-UHFFFAOYSA-N 1 2 263.341 1.708 20 30 CDEDLO C[C@]1(O)CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000124909908 187161110 /nfs/dbraw/zinc/16/11/10/187161110.db2.gz PSEFDCSSCGQQMI-ZDUSSCGKSA-N 1 2 279.365 1.405 20 30 CDEDLO C[C@]1(O)CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000124909908 187161111 /nfs/dbraw/zinc/16/11/11/187161111.db2.gz PSEFDCSSCGQQMI-ZDUSSCGKSA-N 1 2 279.365 1.405 20 30 CDEDLO COc1cccc(C(=O)N2CC[NH+](CCCC#N)CC2)c1 ZINC000044589136 342117095 /nfs/dbraw/zinc/11/70/95/342117095.db2.gz MPYZNGYAQXGZAJ-UHFFFAOYSA-N 1 2 287.363 1.757 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000591796626 342645503 /nfs/dbraw/zinc/64/55/03/342645503.db2.gz RKWDDWHZUDDADX-SDDRHHMPSA-N 1 2 258.325 1.254 20 30 CDEDLO Cc1cc(N2CCN(C(=O)C(C)C)CC2)c(C#N)c[nH+]1 ZINC000591817508 342647354 /nfs/dbraw/zinc/64/73/54/342647354.db2.gz SWZHYPFTQVBSDW-UHFFFAOYSA-N 1 2 272.352 1.566 20 30 CDEDLO Cc1cc(NCCOC[C@H]2CCOC2)c(C#N)c[nH+]1 ZINC000591819798 342647404 /nfs/dbraw/zinc/64/74/04/342647404.db2.gz DNZZGFRLKZGUQC-LBPRGKRZSA-N 1 2 261.325 1.149 20 30 CDEDLO Cc1cc(NCCOC[C@@H]2CCCO2)c(C#N)c[nH+]1 ZINC000591820144 342647492 /nfs/dbraw/zinc/64/74/92/342647492.db2.gz CDHSTHBSXQFPAD-ZDUSSCGKSA-N 1 2 261.325 1.291 20 30 CDEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CC[C@](O)(CC#N)C1 ZINC000592031905 342662776 /nfs/dbraw/zinc/66/27/76/342662776.db2.gz XQDNNRJUQYLYCJ-BXUZGUMPSA-N 1 2 291.355 1.024 20 30 CDEDLO Cc1ccccc1-c1noc(C[N@@H+]2CC[C@](O)(CC#N)C2)n1 ZINC000592147385 342667784 /nfs/dbraw/zinc/66/77/84/342667784.db2.gz LBUDTOWCNMQBTJ-MRXNPFEDSA-N 1 2 298.346 1.896 20 30 CDEDLO Cc1ccccc1-c1noc(C[N@H+]2CC[C@](O)(CC#N)C2)n1 ZINC000592147385 342667785 /nfs/dbraw/zinc/66/77/85/342667785.db2.gz LBUDTOWCNMQBTJ-MRXNPFEDSA-N 1 2 298.346 1.896 20 30 CDEDLO Cc1nc(C[N@@H+]2CC[C@](O)(CC#N)C2)sc1C ZINC000592152162 342669044 /nfs/dbraw/zinc/66/90/44/342669044.db2.gz VGPYNDFPEJYQMY-GFCCVEGCSA-N 1 2 251.355 1.610 20 30 CDEDLO Cc1nc(C[N@H+]2CC[C@](O)(CC#N)C2)sc1C ZINC000592152162 342669045 /nfs/dbraw/zinc/66/90/45/342669045.db2.gz VGPYNDFPEJYQMY-GFCCVEGCSA-N 1 2 251.355 1.610 20 30 CDEDLO CCc1oc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1C(=O)OC ZINC000592522034 342701841 /nfs/dbraw/zinc/70/18/41/342701841.db2.gz GYVAGVKMGRZBGZ-HNNXBMFYSA-N 1 2 292.335 1.479 20 30 CDEDLO CCc1oc(C[N@H+]2CC[C@@](O)(CC#N)C2)cc1C(=O)OC ZINC000592522034 342701843 /nfs/dbraw/zinc/70/18/43/342701843.db2.gz GYVAGVKMGRZBGZ-HNNXBMFYSA-N 1 2 292.335 1.479 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cccc(O)c2Cl)C1 ZINC000592526263 342703357 /nfs/dbraw/zinc/70/33/57/342703357.db2.gz WPOPFZMHJUVPRH-CYBMUJFWSA-N 1 2 266.728 1.896 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cccc(O)c2Cl)C1 ZINC000592526263 342703359 /nfs/dbraw/zinc/70/33/59/342703359.db2.gz WPOPFZMHJUVPRH-CYBMUJFWSA-N 1 2 266.728 1.896 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1occ2c1CCC2 ZINC000593153042 342773876 /nfs/dbraw/zinc/77/38/76/342773876.db2.gz FDJNFGFIPHEXOU-CQSZACIVSA-N 1 2 261.325 1.342 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1Cc2ccc(O)cc2C1 ZINC000625724608 342195345 /nfs/dbraw/zinc/19/53/45/342195345.db2.gz HSJGECBNHSRXPA-UHFFFAOYSA-N 1 2 272.348 1.908 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625724608 342195346 /nfs/dbraw/zinc/19/53/46/342195346.db2.gz HSJGECBNHSRXPA-UHFFFAOYSA-N 1 2 272.348 1.908 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000593665425 342820342 /nfs/dbraw/zinc/82/03/42/342820342.db2.gz CHUSVGSCIVGFCT-DGCLKSJQSA-N 1 2 259.309 1.611 20 30 CDEDLO C=CCC[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C(=O)OCC ZINC000593738573 342826432 /nfs/dbraw/zinc/82/64/32/342826432.db2.gz IYLUEZFJWZMXBC-OLZOCXBDSA-N 1 2 293.367 1.848 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC1CCC(C)CC1 ZINC000594011660 342862240 /nfs/dbraw/zinc/86/22/40/342862240.db2.gz KBJLZMYFZJKDAQ-OTTFEQOBSA-N 1 2 251.374 1.963 20 30 CDEDLO C=CCC1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCOCC1 ZINC000618247485 342263212 /nfs/dbraw/zinc/26/32/12/342263212.db2.gz ZIJKYITVXRKVIA-ZDUSSCGKSA-N 1 2 289.379 1.687 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H](CC#N)C1 ZINC000594685239 342941102 /nfs/dbraw/zinc/94/11/02/342941102.db2.gz GINQPJJIZYPFHI-CHWSQXEVSA-N 1 2 275.356 1.607 20 30 CDEDLO CN(C)C(=O)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000133644304 342317269 /nfs/dbraw/zinc/31/72/69/342317269.db2.gz DBJYIXNQNIJCTE-UHFFFAOYSA-N 1 2 278.381 1.419 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Nc1c(C#N)nnc2ccccc21 ZINC000076324319 342320842 /nfs/dbraw/zinc/32/08/42/342320842.db2.gz IRAZIMFRNWHABD-GFCCVEGCSA-N 1 2 297.362 1.634 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1c[nH]cn1 ZINC000595595019 343098382 /nfs/dbraw/zinc/09/83/82/343098382.db2.gz ARQBQNJTRBGDBG-UHFFFAOYSA-N 1 2 286.335 1.801 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1c[nH]cn1 ZINC000595595019 343098383 /nfs/dbraw/zinc/09/83/83/343098383.db2.gz ARQBQNJTRBGDBG-UHFFFAOYSA-N 1 2 286.335 1.801 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1cnc[nH]1 ZINC000595595019 343098385 /nfs/dbraw/zinc/09/83/85/343098385.db2.gz ARQBQNJTRBGDBG-UHFFFAOYSA-N 1 2 286.335 1.801 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1cnc[nH]1 ZINC000595595019 343098386 /nfs/dbraw/zinc/09/83/86/343098386.db2.gz ARQBQNJTRBGDBG-UHFFFAOYSA-N 1 2 286.335 1.801 20 30 CDEDLO N#CCCCNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000595579442 343103673 /nfs/dbraw/zinc/10/36/73/343103673.db2.gz IXMTWCWGQFFSGP-UHFFFAOYSA-N 1 2 287.367 1.785 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1c[nH+]c[nH]1 ZINC000595594202 343096309 /nfs/dbraw/zinc/09/63/09/343096309.db2.gz IOYSESMJANWRFK-LLVKDONJSA-N 1 2 283.335 1.740 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1c[nH]c[nH+]1 ZINC000595594202 343096311 /nfs/dbraw/zinc/09/63/11/343096311.db2.gz IOYSESMJANWRFK-LLVKDONJSA-N 1 2 283.335 1.740 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000189792498 362094843 /nfs/dbraw/zinc/09/48/43/362094843.db2.gz OVTXKGZRMFIXLR-AWEZNQCLSA-N 1 2 295.427 1.258 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000189792498 362094851 /nfs/dbraw/zinc/09/48/51/362094851.db2.gz OVTXKGZRMFIXLR-AWEZNQCLSA-N 1 2 295.427 1.258 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595781268 343154293 /nfs/dbraw/zinc/15/42/93/343154293.db2.gz CDGMASWQVPKIGZ-KGLIPLIRSA-N 1 2 267.369 1.995 20 30 CDEDLO Cc1cc(NC(=O)c2ccc(C#N)cn2)c(C)c[nH+]1 ZINC000535036399 282228331 /nfs/dbraw/zinc/22/83/31/282228331.db2.gz OSOMKUIINOFUAK-UHFFFAOYSA-N 1 2 252.277 1.639 20 30 CDEDLO N#Cc1cncnc1NCC1CC[NH+](CC(F)F)CC1 ZINC000596238419 343283444 /nfs/dbraw/zinc/28/34/44/343283444.db2.gz HZTOSDKEOSDMHZ-UHFFFAOYSA-N 1 2 281.310 1.159 20 30 CDEDLO Cc1cc(N2CC[C@H](CN3CCCC3=O)C2)c(C#N)c[nH+]1 ZINC000596525272 343334417 /nfs/dbraw/zinc/33/44/17/343334417.db2.gz LXULPYJJFHZWJH-ZDUSSCGKSA-N 1 2 284.363 1.710 20 30 CDEDLO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000330234047 362186979 /nfs/dbraw/zinc/18/69/79/362186979.db2.gz SKGWEPAZJIPTCF-QJPTWQEYSA-N 1 2 288.413 1.250 20 30 CDEDLO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000330234047 362186985 /nfs/dbraw/zinc/18/69/85/362186985.db2.gz SKGWEPAZJIPTCF-QJPTWQEYSA-N 1 2 288.413 1.250 20 30 CDEDLO CC(C)c1nc(N2CCC(C#N)CC2)nc(N(C)C)[nH+]1 ZINC000158827257 136391130 /nfs/dbraw/zinc/39/11/30/136391130.db2.gz WTSZWALEJKTCPE-UHFFFAOYSA-N 1 2 274.372 1.801 20 30 CDEDLO CC(C)c1nc(N(C)C)nc(N2CCC(C#N)CC2)[nH+]1 ZINC000158827257 136391131 /nfs/dbraw/zinc/39/11/31/136391131.db2.gz WTSZWALEJKTCPE-UHFFFAOYSA-N 1 2 274.372 1.801 20 30 CDEDLO CC[C@H](C(=O)N([C@@H](C)C#N)C1CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000598135977 343724576 /nfs/dbraw/zinc/72/45/76/343724576.db2.gz FARQOSNWNFJSNX-NWANDNLSSA-N 1 2 293.411 1.779 20 30 CDEDLO CC[C@H](C(=O)N([C@@H](C)C#N)C1CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000598135977 343724578 /nfs/dbraw/zinc/72/45/78/343724578.db2.gz FARQOSNWNFJSNX-NWANDNLSSA-N 1 2 293.411 1.779 20 30 CDEDLO C=C[C@H](C(=O)OC)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000619717268 349867918 /nfs/dbraw/zinc/86/79/18/349867918.db2.gz RRKIQVORTYEQEU-SECBINFHSA-N 1 2 291.273 1.605 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000619717857 349868455 /nfs/dbraw/zinc/86/84/55/349868455.db2.gz QSDVXQHUUNWXKS-GJZGRUSLSA-N 1 2 293.363 1.224 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)C[C@H](O)COCc1ccccc1 ZINC000619717857 349868456 /nfs/dbraw/zinc/86/84/56/349868456.db2.gz QSDVXQHUUNWXKS-GJZGRUSLSA-N 1 2 293.363 1.224 20 30 CDEDLO C[C@H](NC(=O)c1sccc1C#N)c1[nH+]ccn1C ZINC000598461002 343805415 /nfs/dbraw/zinc/80/54/15/343805415.db2.gz ZAKFOZGUBUFTPU-QMMMGPOBSA-N 1 2 260.322 1.844 20 30 CDEDLO N#C[C@@]1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CC12CCCC2 ZINC000598950098 343933554 /nfs/dbraw/zinc/93/35/54/343933554.db2.gz OVTYIWMIVYZBCY-BLLLJJGKSA-N 1 2 284.363 1.788 20 30 CDEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COc1ccccc1C#N ZINC000599430054 344056497 /nfs/dbraw/zinc/05/64/97/344056497.db2.gz VJVNDWRKVOHXBZ-OAHLLOKOSA-N 1 2 285.347 1.700 20 30 CDEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COc1ccccc1C#N ZINC000599430054 344056499 /nfs/dbraw/zinc/05/64/99/344056499.db2.gz VJVNDWRKVOHXBZ-OAHLLOKOSA-N 1 2 285.347 1.700 20 30 CDEDLO Cc1nnc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)n1C ZINC000329749779 282329778 /nfs/dbraw/zinc/32/97/78/282329778.db2.gz HQZPGXAADKRCOW-VIFPVBQESA-N 1 2 260.301 1.171 20 30 CDEDLO Cc1nnc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)n1C ZINC000329759791 282329858 /nfs/dbraw/zinc/32/98/58/282329858.db2.gz PIIFNQOQULLVGC-VIFPVBQESA-N 1 2 260.301 1.171 20 30 CDEDLO N#CCc1ccccc1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000601535314 344185181 /nfs/dbraw/zinc/18/51/81/344185181.db2.gz YKGPADJEGGWUST-UHFFFAOYSA-N 1 2 299.374 1.347 20 30 CDEDLO CC(C)(CN1CC[C@](C)(C#N)C1)[NH+]1CCOCC1 ZINC000602717626 344556875 /nfs/dbraw/zinc/55/68/75/344556875.db2.gz HXNJWXYPBDBQTF-CQSZACIVSA-N 1 2 251.374 1.333 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000602860388 344616175 /nfs/dbraw/zinc/61/61/75/344616175.db2.gz BIIVIUAUXCEUFM-QWRGUYRKSA-N 1 2 289.335 1.677 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCCOc1cccc(F)c1 ZINC000602863055 344617924 /nfs/dbraw/zinc/61/79/24/344617924.db2.gz NGUUILNHWOJDCC-NSHDSACASA-N 1 2 279.315 1.212 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(C)CC1CCCCC1 ZINC000602863084 344617974 /nfs/dbraw/zinc/61/79/74/344617974.db2.gz NRYVPWUISKKRGT-LBPRGKRZSA-N 1 2 251.374 1.917 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)N1CCc2sccc2C1 ZINC000602862901 344617976 /nfs/dbraw/zinc/61/79/76/344617976.db2.gz MMEQTWJRUNHEMK-WDEREUQCSA-N 1 2 277.393 1.913 20 30 CDEDLO Cc1ccccc1CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC000602863624 344621610 /nfs/dbraw/zinc/62/16/10/344621610.db2.gz OWKFKGXNTCXGSB-UONOGXRCSA-N 1 2 273.380 1.934 20 30 CDEDLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N)cc1 ZINC000602867998 344639284 /nfs/dbraw/zinc/63/92/84/344639284.db2.gz GQELMHSCXLPKSY-QWRGUYRKSA-N 1 2 261.325 1.914 20 30 CDEDLO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161567 347064735 /nfs/dbraw/zinc/06/47/35/347064735.db2.gz GHSQBVCUVIWHKG-FZMZJTMJSA-N 1 2 280.372 1.235 20 30 CDEDLO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161567 347064737 /nfs/dbraw/zinc/06/47/37/347064737.db2.gz GHSQBVCUVIWHKG-FZMZJTMJSA-N 1 2 280.372 1.235 20 30 CDEDLO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612163913 347065941 /nfs/dbraw/zinc/06/59/41/347065941.db2.gz WMGSYPMQEWQWJF-GXTWGEPZSA-N 1 2 251.374 1.867 20 30 CDEDLO CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612163913 347065943 /nfs/dbraw/zinc/06/59/43/347065943.db2.gz WMGSYPMQEWQWJF-GXTWGEPZSA-N 1 2 251.374 1.867 20 30 CDEDLO CC[N@@H+](CC(=O)NCCc1ccc(F)cc1)C[C@@H](C)C#N ZINC000049982139 344977225 /nfs/dbraw/zinc/97/72/25/344977225.db2.gz ZBDHFQWLAURKCU-ZDUSSCGKSA-N 1 2 291.370 1.966 20 30 CDEDLO CC[N@H+](CC(=O)NCCc1ccc(F)cc1)C[C@@H](C)C#N ZINC000049982139 344977227 /nfs/dbraw/zinc/97/72/27/344977227.db2.gz ZBDHFQWLAURKCU-ZDUSSCGKSA-N 1 2 291.370 1.966 20 30 CDEDLO Cc1ncc(CO)c(/C=[NH+]/CCCOCC2CC2)c1O ZINC000005111396 344941756 /nfs/dbraw/zinc/94/17/56/344941756.db2.gz QVTNNJVIBXBQRH-LZYBPNLTSA-N 1 2 278.352 1.824 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000397774306 345257998 /nfs/dbraw/zinc/25/79/98/345257998.db2.gz VTELXDVPTDEDBQ-SECBINFHSA-N 1 2 263.263 1.291 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC000397774306 345258000 /nfs/dbraw/zinc/25/80/00/345258000.db2.gz VTELXDVPTDEDBQ-SECBINFHSA-N 1 2 263.263 1.291 20 30 CDEDLO Cc1cccn2cc(CCNC(=O)c3ccc(C#N)[nH]3)[nH+]c12 ZINC000159882904 345281704 /nfs/dbraw/zinc/28/17/04/345281704.db2.gz UEPKRVJMCWXAAY-UHFFFAOYSA-N 1 2 293.330 1.815 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617722110 345926142 /nfs/dbraw/zinc/92/61/42/345926142.db2.gz YCJHHMHOJMAOLX-QWHCGFSZSA-N 1 2 268.401 1.814 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617722110 345926144 /nfs/dbraw/zinc/92/61/44/345926144.db2.gz YCJHHMHOJMAOLX-QWHCGFSZSA-N 1 2 268.401 1.814 20 30 CDEDLO C=CCC1(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)CCC1 ZINC000617725897 345930499 /nfs/dbraw/zinc/93/04/99/345930499.db2.gz QGRHFEKTLPJILK-UONOGXRCSA-N 1 2 280.412 1.958 20 30 CDEDLO C=CCC1(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)CCC1 ZINC000617725897 345930501 /nfs/dbraw/zinc/93/05/01/345930501.db2.gz QGRHFEKTLPJILK-UONOGXRCSA-N 1 2 280.412 1.958 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCc2ccc(O)cc2C1)C1CC1 ZINC000610002654 346055741 /nfs/dbraw/zinc/05/57/41/346055741.db2.gz OFLNWKOPFFQZBP-QGZVFWFLSA-N 1 2 299.374 1.559 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCc2ccc(O)cc2C1)C1CC1 ZINC000610002654 346055743 /nfs/dbraw/zinc/05/57/43/346055743.db2.gz OFLNWKOPFFQZBP-QGZVFWFLSA-N 1 2 299.374 1.559 20 30 CDEDLO C[C@H](C#N)CN(C)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000357824728 346098750 /nfs/dbraw/zinc/09/87/50/346098750.db2.gz LRQMRPOVKGYHIW-PWSUYJOCSA-N 1 2 275.356 1.672 20 30 CDEDLO C[C@H](O)C[C@@H]1COCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000157267483 290138495 /nfs/dbraw/zinc/13/84/95/290138495.db2.gz VGBKJAQNPNNGJI-SWLSCSKDSA-N 1 2 260.337 1.530 20 30 CDEDLO Cc1ccnc(NC[C@@H](C)[NH+]2CCOCC2)c1C#N ZINC000273298054 192103761 /nfs/dbraw/zinc/10/37/61/192103761.db2.gz GOZTWNDJCLTAJW-GFCCVEGCSA-N 1 2 260.341 1.394 20 30 CDEDLO CCOc1ccc(C[NH+]2CCN(CCC#N)CC2)nc1 ZINC000611175104 346629433 /nfs/dbraw/zinc/62/94/33/346629433.db2.gz WXCWLWPQVGIPSH-UHFFFAOYSA-N 1 2 274.368 1.512 20 30 CDEDLO C=CCNC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000054375448 347821540 /nfs/dbraw/zinc/82/15/40/347821540.db2.gz IULILCCLXCJESS-UHFFFAOYSA-N 1 2 258.325 1.830 20 30 CDEDLO N#Cc1c[nH][nH]c1=NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000601639291 349983590 /nfs/dbraw/zinc/98/35/90/349983590.db2.gz NEHXNOOZZUFOMZ-ZDUSSCGKSA-N 1 2 295.346 1.164 20 30 CDEDLO N#Cc1c[nH][nH]c1=NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000601639291 349983594 /nfs/dbraw/zinc/98/35/94/349983594.db2.gz NEHXNOOZZUFOMZ-ZDUSSCGKSA-N 1 2 295.346 1.164 20 30 CDEDLO COCc1cccc(OC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000414152986 362924283 /nfs/dbraw/zinc/92/42/83/362924283.db2.gz RMTRJRCBCNRXRR-CQSZACIVSA-N 1 2 278.352 1.418 20 30 CDEDLO COCc1cccc(OC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414152986 362924294 /nfs/dbraw/zinc/92/42/94/362924294.db2.gz RMTRJRCBCNRXRR-CQSZACIVSA-N 1 2 278.352 1.418 20 30 CDEDLO N#CCc1ccnc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000615769339 348714928 /nfs/dbraw/zinc/71/49/28/348714928.db2.gz ZWMPXYYFPYQSJL-GFCCVEGCSA-N 1 2 281.319 1.545 20 30 CDEDLO CCC1(O)CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000072724976 349130874 /nfs/dbraw/zinc/13/08/74/349130874.db2.gz PEZBLRFKVYKVHH-CQSZACIVSA-N 1 2 287.363 1.322 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(F)c(O)c(F)c2)CC1 ZINC000273983005 192388756 /nfs/dbraw/zinc/38/87/56/192388756.db2.gz VCBCBPMWBNYIFD-UHFFFAOYSA-N 1 2 294.301 1.452 20 30 CDEDLO C[N@H+](CC(=O)N1CCCC1)Cc1cccc(C#N)n1 ZINC000602430751 350109889 /nfs/dbraw/zinc/10/98/89/350109889.db2.gz PRYFGVXUIZIFIH-UHFFFAOYSA-N 1 2 258.325 1.007 20 30 CDEDLO C[N@@H+](CC(=O)N1CCCC1)Cc1cccc(C#N)n1 ZINC000602430751 350109892 /nfs/dbraw/zinc/10/98/92/350109892.db2.gz PRYFGVXUIZIFIH-UHFFFAOYSA-N 1 2 258.325 1.007 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@@H](OC)C1 ZINC000602896450 350161171 /nfs/dbraw/zinc/16/11/71/350161171.db2.gz HKRPFMHRUOEOFV-OAHLLOKOSA-N 1 2 292.335 1.250 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@@H](OC)C1 ZINC000602896450 350161174 /nfs/dbraw/zinc/16/11/74/350161174.db2.gz HKRPFMHRUOEOFV-OAHLLOKOSA-N 1 2 292.335 1.250 20 30 CDEDLO Cc1cc(C)c(C#N)c(NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC000108945787 186236656 /nfs/dbraw/zinc/23/66/56/186236656.db2.gz RBRRXDMKANKTAD-GFCCVEGCSA-N 1 2 260.341 1.313 20 30 CDEDLO Cc1cc(C)c(C#N)c(NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000108945787 186236657 /nfs/dbraw/zinc/23/66/57/186236657.db2.gz RBRRXDMKANKTAD-GFCCVEGCSA-N 1 2 260.341 1.313 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000292144726 198180189 /nfs/dbraw/zinc/18/01/89/198180189.db2.gz IDDRWWXABLNATP-CQSZACIVSA-N 1 2 278.377 1.425 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000292144726 198180190 /nfs/dbraw/zinc/18/01/90/198180190.db2.gz IDDRWWXABLNATP-CQSZACIVSA-N 1 2 278.377 1.425 20 30 CDEDLO Cc1nnc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000292167402 198188903 /nfs/dbraw/zinc/18/89/03/198188903.db2.gz LOYSSIYZIHDTBN-GFCCVEGCSA-N 1 2 285.307 1.298 20 30 CDEDLO Cc1nnc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000292167402 198188905 /nfs/dbraw/zinc/18/89/05/198188905.db2.gz LOYSSIYZIHDTBN-GFCCVEGCSA-N 1 2 285.307 1.298 20 30 CDEDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000152564263 188028651 /nfs/dbraw/zinc/02/86/51/188028651.db2.gz XMMXKVQOVIQKRV-CQSZACIVSA-N 1 2 257.337 1.659 20 30 CDEDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000152564263 188028653 /nfs/dbraw/zinc/02/86/53/188028653.db2.gz XMMXKVQOVIQKRV-CQSZACIVSA-N 1 2 257.337 1.659 20 30 CDEDLO CC#CCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000352381387 363324442 /nfs/dbraw/zinc/32/44/42/363324442.db2.gz QWRIQJLMHJURBH-UHFFFAOYSA-N 1 2 286.379 1.322 20 30 CDEDLO C=C(C)CN(CC)C(=O)CSCC[NH+]1CCOCC1 ZINC000159839713 363367974 /nfs/dbraw/zinc/36/79/74/363367974.db2.gz PKAJPHROIXUMDS-UHFFFAOYSA-N 1 2 286.441 1.476 20 30 CDEDLO C#CCCN(CC(F)(F)F)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492859180 366184167 /nfs/dbraw/zinc/18/41/67/366184167.db2.gz GCWGVDOONIHDRC-SNAWJCMRSA-N 1 2 271.242 1.837 20 30 CDEDLO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000264398338 366175271 /nfs/dbraw/zinc/17/52/71/366175271.db2.gz GVMSGWHSMPIDFS-PWSUYJOCSA-N 1 2 293.392 1.794 20 30 CDEDLO C[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000264398338 366175276 /nfs/dbraw/zinc/17/52/76/366175276.db2.gz GVMSGWHSMPIDFS-PWSUYJOCSA-N 1 2 293.392 1.794 20 30 CDEDLO CC1(C)CCCN(C(=O)/C=C/c2[nH]cc[nH+]2)[C@H]1C#N ZINC000493272228 366243741 /nfs/dbraw/zinc/24/37/41/366243741.db2.gz UJMJDXZSOAVYTK-ZWNMCFTASA-N 1 2 258.325 1.964 20 30 CDEDLO CC(C)(C)OC(=O)N1CC[NH+](CCCC#N)CC1 ZINC000059710631 356607887 /nfs/dbraw/zinc/60/78/87/356607887.db2.gz FQJJGWTUELNMND-UHFFFAOYSA-N 1 2 253.346 1.843 20 30 CDEDLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[C@H]1CCO ZINC000329512133 538577227 /nfs/dbraw/zinc/57/72/27/538577227.db2.gz NITLQDJSPQTRCL-JQWIXIFHSA-N 1 2 251.330 1.850 20 30 CDEDLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[C@H]1CCO ZINC000329512133 538577236 /nfs/dbraw/zinc/57/72/36/538577236.db2.gz NITLQDJSPQTRCL-JQWIXIFHSA-N 1 2 251.330 1.850 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1cncc(F)c1 ZINC000493438268 366369695 /nfs/dbraw/zinc/36/96/95/366369695.db2.gz XPODULOMEITCLE-WSNITJDQSA-N 1 2 276.315 1.194 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCSC[C@@H]2CO)cc1F ZINC000334660983 357615539 /nfs/dbraw/zinc/61/55/39/357615539.db2.gz BWWJJRWNBWCQTK-LBPRGKRZSA-N 1 2 266.341 1.607 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCSC[C@@H]2CO)cc1F ZINC000334660983 357615543 /nfs/dbraw/zinc/61/55/43/357615543.db2.gz BWWJJRWNBWCQTK-LBPRGKRZSA-N 1 2 266.341 1.607 20 30 CDEDLO CN(C(=O)CCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000389278968 357827720 /nfs/dbraw/zinc/82/77/20/357827720.db2.gz KHYYPUJLDXXHEK-UHFFFAOYSA-N 1 2 254.293 1.808 20 30 CDEDLO C#CCO[C@@H](C)C(=O)NCCCCNc1cccc[nH+]1 ZINC000294539972 199077942 /nfs/dbraw/zinc/07/79/42/199077942.db2.gz JLBLVQCHMJHNRJ-ZDUSSCGKSA-N 1 2 275.352 1.428 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)NCc1cc(C#N)ccc1F ZINC000341167569 366518896 /nfs/dbraw/zinc/51/88/96/366518896.db2.gz PODMYWGSYAHJIC-UHFFFAOYSA-N 1 2 287.298 1.430 20 30 CDEDLO CC(C)(C#N)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000042127574 358903911 /nfs/dbraw/zinc/90/39/11/358903911.db2.gz BNJWEDPJUVWBBJ-UHFFFAOYSA-N 1 2 271.364 1.881 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)N2CCOc3cc[nH+]cc32)o1 ZINC000339154557 359305837 /nfs/dbraw/zinc/30/58/37/359305837.db2.gz MDSUAMURCIJGRZ-UHFFFAOYSA-N 1 2 291.288 1.134 20 30 CDEDLO C=CCN(Cc1[nH+]ccn1C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000264544807 359313003 /nfs/dbraw/zinc/31/30/03/359313003.db2.gz JEFRBGUWNFOVCU-ZDUSSCGKSA-N 1 2 297.424 1.639 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC000267641119 359354217 /nfs/dbraw/zinc/35/42/17/359354217.db2.gz IUOYJRFZZVEQCH-DOMZBBRYSA-N 1 2 298.358 1.163 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC000267641119 359354221 /nfs/dbraw/zinc/35/42/21/359354221.db2.gz IUOYJRFZZVEQCH-DOMZBBRYSA-N 1 2 298.358 1.163 20 30 CDEDLO C#CC[N@@H+](CC)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000266902687 359347961 /nfs/dbraw/zinc/34/79/61/359347961.db2.gz GYDAMHNZGPKDLS-UHFFFAOYSA-N 1 2 296.392 1.519 20 30 CDEDLO C#CC[N@H+](CC)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000266902687 359347962 /nfs/dbraw/zinc/34/79/62/359347962.db2.gz GYDAMHNZGPKDLS-UHFFFAOYSA-N 1 2 296.392 1.519 20 30 CDEDLO C#CC[N@@H+](CC)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000267564154 359353302 /nfs/dbraw/zinc/35/33/02/359353302.db2.gz BNFSNGRHQBVFNG-LBPRGKRZSA-N 1 2 273.361 1.680 20 30 CDEDLO C#CC[N@H+](CC)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000267564154 359353304 /nfs/dbraw/zinc/35/33/04/359353304.db2.gz BNFSNGRHQBVFNG-LBPRGKRZSA-N 1 2 273.361 1.680 20 30 CDEDLO C=CCNC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000270011479 359384628 /nfs/dbraw/zinc/38/46/28/359384628.db2.gz MBIRULPNLLQRDF-UHFFFAOYSA-N 1 2 282.413 1.381 20 30 CDEDLO C=CCN(CCc1ccco1)C(=O)NCc1[nH+]ccn1C ZINC000272347109 359454296 /nfs/dbraw/zinc/45/42/96/359454296.db2.gz NWWLYISXVKJJEN-UHFFFAOYSA-N 1 2 288.351 1.953 20 30 CDEDLO C#CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000274017142 359484710 /nfs/dbraw/zinc/48/47/10/359484710.db2.gz BNMRQQZWLWMGTJ-UHFFFAOYSA-N 1 2 299.330 1.582 20 30 CDEDLO C#CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000274017142 359484717 /nfs/dbraw/zinc/48/47/17/359484717.db2.gz BNMRQQZWLWMGTJ-UHFFFAOYSA-N 1 2 299.330 1.582 20 30 CDEDLO Cc1cc(N2CCC(O)(C(F)F)CC2)c(C#N)c[nH+]1 ZINC000571397344 359563469 /nfs/dbraw/zinc/56/34/69/359563469.db2.gz ISNAAHVCDSXCPM-UHFFFAOYSA-N 1 2 267.279 1.858 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cnn(C)c2C)n1 ZINC000279729510 359593101 /nfs/dbraw/zinc/59/31/01/359593101.db2.gz NCEHWMKNTAOSIZ-UHFFFAOYSA-N 1 2 271.368 1.580 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2cnn(C)c2C)n1 ZINC000279729510 359593107 /nfs/dbraw/zinc/59/31/07/359593107.db2.gz NCEHWMKNTAOSIZ-UHFFFAOYSA-N 1 2 271.368 1.580 20 30 CDEDLO N#Cc1cncnc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000572077492 359821095 /nfs/dbraw/zinc/82/10/95/359821095.db2.gz ZGIFQWJODKJZSF-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO CC1CC(C#N)(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000570514195 363689080 /nfs/dbraw/zinc/68/90/80/363689080.db2.gz YMAUWWHODZCNEH-UHFFFAOYSA-N 1 2 293.411 1.495 20 30 CDEDLO CC1CC(C#N)(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC000570514195 363689086 /nfs/dbraw/zinc/68/90/86/363689086.db2.gz YMAUWWHODZCNEH-UHFFFAOYSA-N 1 2 293.411 1.495 20 30 CDEDLO C=CC1CCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000111860652 359940416 /nfs/dbraw/zinc/94/04/16/359940416.db2.gz HYLWIUGGYBYTJL-CQSZACIVSA-N 1 2 294.443 1.230 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)N1CCCC(C)(C)[C@H]1C#N ZINC000561550465 360542220 /nfs/dbraw/zinc/54/22/20/360542220.db2.gz UXTJULLCZFBPRW-GFCCVEGCSA-N 1 2 260.341 1.503 20 30 CDEDLO C[C@H]1COC(C)(C)C[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000408359843 360707411 /nfs/dbraw/zinc/70/74/11/360707411.db2.gz PSBRCBCXMIXNDJ-ZDUSSCGKSA-N 1 2 293.411 1.828 20 30 CDEDLO C[C@H]1COC(C)(C)C[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000408359843 360707416 /nfs/dbraw/zinc/70/74/16/360707416.db2.gz PSBRCBCXMIXNDJ-ZDUSSCGKSA-N 1 2 293.411 1.828 20 30 CDEDLO CS(=O)(=O)N[C@@H]1CCC[C@@H]1C/[NH+]=C/c1ccccc1O ZINC000129380473 360832522 /nfs/dbraw/zinc/83/25/22/360832522.db2.gz AAGATWWMHCGJAY-ZQVVPGSTSA-N 1 2 296.392 1.529 20 30 CDEDLO N#Cc1csc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000176822449 238243911 /nfs/dbraw/zinc/24/39/11/238243911.db2.gz IWUYUEFAASIHEY-UHFFFAOYSA-N 1 2 298.371 1.977 20 30 CDEDLO CC[N@@H+](CC(=O)N(C)Cc1ccco1)C[C@@H](C)C#N ZINC000157681033 360950913 /nfs/dbraw/zinc/95/09/13/360950913.db2.gz ARFLZTICRGJSET-LBPRGKRZSA-N 1 2 263.341 1.720 20 30 CDEDLO CC[N@H+](CC(=O)N(C)Cc1ccco1)C[C@@H](C)C#N ZINC000157681033 360950919 /nfs/dbraw/zinc/95/09/19/360950919.db2.gz ARFLZTICRGJSET-LBPRGKRZSA-N 1 2 263.341 1.720 20 30 CDEDLO Cc1nscc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330301683 294010134 /nfs/dbraw/zinc/01/01/34/294010134.db2.gz JDICUIQTPDFENO-SECBINFHSA-N 1 2 262.338 1.968 20 30 CDEDLO CCc1nn(CCCn2cc[nH+]c2)c(=O)c(C#N)c1CC ZINC000180437221 189255381 /nfs/dbraw/zinc/25/53/81/189255381.db2.gz PPDVHBYDWWMQEV-UHFFFAOYSA-N 1 2 285.351 1.527 20 30 CDEDLO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433306520 361231036 /nfs/dbraw/zinc/23/10/36/361231036.db2.gz SKJRNCIOAAXZHR-JTQLQIEISA-N 1 2 268.361 1.091 20 30 CDEDLO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433306520 361231043 /nfs/dbraw/zinc/23/10/43/361231043.db2.gz SKJRNCIOAAXZHR-JTQLQIEISA-N 1 2 268.361 1.091 20 30 CDEDLO Cc1ccc2nc(C[N@@H+](C)CC(C)(C)C#N)cc(=O)n2c1 ZINC000433324058 361234388 /nfs/dbraw/zinc/23/43/88/361234388.db2.gz BGTBFAKUFBYWCF-UHFFFAOYSA-N 1 2 284.363 1.985 20 30 CDEDLO Cc1ccc2nc(C[N@H+](C)CC(C)(C)C#N)cc(=O)n2c1 ZINC000433324058 361234390 /nfs/dbraw/zinc/23/43/90/361234390.db2.gz BGTBFAKUFBYWCF-UHFFFAOYSA-N 1 2 284.363 1.985 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N[C@H]1CCn2cc[nH+]c2C1)OCC ZINC000428003312 361368976 /nfs/dbraw/zinc/36/89/76/361368976.db2.gz CEECIMQEOCFLGH-QWHCGFSZSA-N 1 2 277.368 1.685 20 30 CDEDLO CCN1CC[NH+]([C@H](C)CNc2cccc(C#N)n2)CC1 ZINC000301563977 201070727 /nfs/dbraw/zinc/07/07/27/201070727.db2.gz YRIXFRZLWAVUCB-CYBMUJFWSA-N 1 2 273.384 1.391 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+](C)[C@@H]2CCOC2)c(C#N)c1C ZINC000155692795 294036063 /nfs/dbraw/zinc/03/60/63/294036063.db2.gz LSCXJAYGXKXYKH-LLVKDONJSA-N 1 2 277.324 1.427 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccnc(C2CC2)c1 ZINC000329334924 361481642 /nfs/dbraw/zinc/48/16/42/361481642.db2.gz OHTQTFOVGNHFIB-LBPRGKRZSA-N 1 2 289.379 1.984 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccnc(C2CC2)c1 ZINC000329334924 361481647 /nfs/dbraw/zinc/48/16/47/361481647.db2.gz OHTQTFOVGNHFIB-LBPRGKRZSA-N 1 2 289.379 1.984 20 30 CDEDLO O=C(NCCNc1cccc[nH+]1)[C@@H]1C[C@@]12CCOC2 ZINC000329671890 361698168 /nfs/dbraw/zinc/69/81/68/361698168.db2.gz SHQLOPJXEOXIJF-SMDDNHRTSA-N 1 2 261.325 1.877 20 30 CDEDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000572731880 361710883 /nfs/dbraw/zinc/71/08/83/361710883.db2.gz FLFMCJZDQASBNR-LLVKDONJSA-N 1 2 274.368 1.688 20 30 CDEDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000572731880 361710887 /nfs/dbraw/zinc/71/08/87/361710887.db2.gz FLFMCJZDQASBNR-LLVKDONJSA-N 1 2 274.368 1.688 20 30 CDEDLO Cc1cc(NC(=O)c2ncc(C#N)cc2C)c(C)c[nH+]1 ZINC000581326039 363978720 /nfs/dbraw/zinc/97/87/20/363978720.db2.gz WZPBGZPMRBPTLO-UHFFFAOYSA-N 1 2 266.304 1.948 20 30 CDEDLO CC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)CC#N)c1 ZINC000639724946 364529794 /nfs/dbraw/zinc/52/97/94/364529794.db2.gz DMTNLKZWQSJWHK-SNVBAGLBSA-N 1 2 259.309 1.719 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](CC)[S@@](=O)[C@@H](C)C2)C1=O ZINC000352896166 364569839 /nfs/dbraw/zinc/56/98/39/364569839.db2.gz ZFRTYWRGVVSLPP-JHXTVGTDSA-N 1 2 284.425 1.005 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](CC)[S@@](=O)[C@@H](C)C2)C1=O ZINC000352896166 364569844 /nfs/dbraw/zinc/56/98/44/364569844.db2.gz ZFRTYWRGVVSLPP-JHXTVGTDSA-N 1 2 284.425 1.005 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CC(=O)c2cc(C)n(C)c2C)nn1 ZINC000640799458 364653904 /nfs/dbraw/zinc/65/39/04/364653904.db2.gz IVLJWCBAPYJGMM-UHFFFAOYSA-N 1 2 299.378 1.229 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c(C#N)c1C ZINC000168364318 364835888 /nfs/dbraw/zinc/83/58/88/364835888.db2.gz YKPIDRAGAUMALE-ZYHUDNBSSA-N 1 2 291.351 1.409 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c(C#N)c1C ZINC000168364318 364835899 /nfs/dbraw/zinc/83/58/99/364835899.db2.gz YKPIDRAGAUMALE-ZYHUDNBSSA-N 1 2 291.351 1.409 20 30 CDEDLO CN(C)C(=O)O[C@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000497112066 366867570 /nfs/dbraw/zinc/86/75/70/366867570.db2.gz YRIQOOCMVGQWNB-NSHDSACASA-N 1 2 251.330 1.453 20 30 CDEDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000497112066 366867577 /nfs/dbraw/zinc/86/75/77/366867577.db2.gz YRIQOOCMVGQWNB-NSHDSACASA-N 1 2 251.330 1.453 20 30 CDEDLO Cc1ccc(NC(=O)C(=O)NCC(C)(C)C#N)c(C)[nH+]1 ZINC000357893934 367285339 /nfs/dbraw/zinc/28/53/39/367285339.db2.gz PCFDUSILXIGDAK-UHFFFAOYSA-N 1 2 274.324 1.303 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000358509351 367736637 /nfs/dbraw/zinc/73/66/37/367736637.db2.gz PZLBXMODEAFIPS-OLZOCXBDSA-N 1 2 251.374 1.725 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000358509351 367736638 /nfs/dbraw/zinc/73/66/38/367736638.db2.gz PZLBXMODEAFIPS-OLZOCXBDSA-N 1 2 251.374 1.725 20 30 CDEDLO CCOc1ccccc1C[N@H+](C)CC(=O)NCC#N ZINC000066664774 368357019 /nfs/dbraw/zinc/35/70/19/368357019.db2.gz IXSUYFGNMAIBIB-UHFFFAOYSA-N 1 2 261.325 1.157 20 30 CDEDLO CCOc1ccccc1C[N@@H+](C)CC(=O)NCC#N ZINC000066664774 368357028 /nfs/dbraw/zinc/35/70/28/368357028.db2.gz IXSUYFGNMAIBIB-UHFFFAOYSA-N 1 2 261.325 1.157 20 30 CDEDLO Cn1cc(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)cc1C#N ZINC000294069394 370928090 /nfs/dbraw/zinc/92/80/90/370928090.db2.gz YHWRYJXLSUBFBS-LBPRGKRZSA-N 1 2 295.408 1.153 20 30 CDEDLO Cn1cc(C[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)cc1C#N ZINC000294069394 370928093 /nfs/dbraw/zinc/92/80/93/370928093.db2.gz YHWRYJXLSUBFBS-LBPRGKRZSA-N 1 2 295.408 1.153 20 30 CDEDLO CC#CCCNC(=O)NCCCNc1cccc[nH+]1 ZINC000361335866 368756877 /nfs/dbraw/zinc/75/68/77/368756877.db2.gz LWEVYANMQRMVCV-UHFFFAOYSA-N 1 2 260.341 1.596 20 30 CDEDLO C=CCCS(=O)(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000361785986 369042660 /nfs/dbraw/zinc/04/26/60/369042660.db2.gz CPHMQYREMKEOLU-LLVKDONJSA-N 1 2 269.370 1.115 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000545163376 369151271 /nfs/dbraw/zinc/15/12/71/369151271.db2.gz LNDHLFSPMDPSGD-ZDUSSCGKSA-N 1 2 259.357 1.859 20 30 CDEDLO Cc1cc(C)n(-c2ccc(C[NH2+]CCC#N)cn2)n1 ZINC000564843389 370274303 /nfs/dbraw/zinc/27/43/03/370274303.db2.gz CPUHKWDNDPIKIS-UHFFFAOYSA-N 1 2 255.325 1.887 20 30 CDEDLO CC[N@@H+](Cc1cnc(N2CCOCC2)s1)C[C@H](C)C#N ZINC000120479224 370405245 /nfs/dbraw/zinc/40/52/45/370405245.db2.gz KJHFYFNJLWGPAV-GFCCVEGCSA-N 1 2 294.424 1.961 20 30 CDEDLO CC[N@H+](Cc1cnc(N2CCOCC2)s1)C[C@H](C)C#N ZINC000120479224 370405250 /nfs/dbraw/zinc/40/52/50/370405250.db2.gz KJHFYFNJLWGPAV-GFCCVEGCSA-N 1 2 294.424 1.961 20 30 CDEDLO C[C@@H](C#N)CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000568800037 371230603 /nfs/dbraw/zinc/23/06/03/371230603.db2.gz IMBIRWWTLIFEFV-WDEREUQCSA-N 1 2 261.329 1.079 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CSC[C@@H]1CCCCO1 ZINC000568753527 371230667 /nfs/dbraw/zinc/23/06/67/371230667.db2.gz SAAOCBNOFFPJNQ-GXTWGEPZSA-N 1 2 299.440 1.249 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000579730313 372637020 /nfs/dbraw/zinc/63/70/20/372637020.db2.gz RDMULDWWOSWHAG-CYBMUJFWSA-N 1 2 291.376 1.614 20 30 CDEDLO COc1ccc(C[N@H+](C)Cc2ccnn2C)cc1C#N ZINC000348362468 373119844 /nfs/dbraw/zinc/11/98/44/373119844.db2.gz ISVHHWMPCCVUJO-UHFFFAOYSA-N 1 2 270.336 1.932 20 30 CDEDLO COc1ccc(C[N@@H+](C)Cc2ccnn2C)cc1C#N ZINC000348362468 373119848 /nfs/dbraw/zinc/11/98/48/373119848.db2.gz ISVHHWMPCCVUJO-UHFFFAOYSA-N 1 2 270.336 1.932 20 30 CDEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000191097575 373444199 /nfs/dbraw/zinc/44/41/99/373444199.db2.gz BJCITTUPYSLPQP-LLVKDONJSA-N 1 2 267.329 1.444 20 30 CDEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000191097575 373444203 /nfs/dbraw/zinc/44/42/03/373444203.db2.gz BJCITTUPYSLPQP-LLVKDONJSA-N 1 2 267.329 1.444 20 30 CDEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1c(C)n[nH]c1C ZINC000191123976 373453529 /nfs/dbraw/zinc/45/35/29/373453529.db2.gz HBGYRNHOGBNFKK-UHFFFAOYSA-N 1 2 266.345 1.099 20 30 CDEDLO C=CC[N@H+](CCOC)CC(=O)Nc1c(C)n[nH]c1C ZINC000191123976 373453539 /nfs/dbraw/zinc/45/35/39/373453539.db2.gz HBGYRNHOGBNFKK-UHFFFAOYSA-N 1 2 266.345 1.099 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+](CC(=O)OCC)CC(C)C ZINC000065542754 373654449 /nfs/dbraw/zinc/65/44/49/373654449.db2.gz YCVHPCDRSHNNAS-UHFFFAOYSA-N 1 2 296.411 1.708 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+](CC(=O)OCC)CC(C)C ZINC000065542754 373654452 /nfs/dbraw/zinc/65/44/52/373654452.db2.gz YCVHPCDRSHNNAS-UHFFFAOYSA-N 1 2 296.411 1.708 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(C#N)c(C)n1 ZINC000358542444 373961730 /nfs/dbraw/zinc/96/17/30/373961730.db2.gz QTARWPCQQPCEEF-UHFFFAOYSA-N 1 2 255.281 1.223 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)CCCO1 ZINC000061918364 374121080 /nfs/dbraw/zinc/12/10/80/374121080.db2.gz DMJZWPJPPBXHTM-GFCCVEGCSA-N 1 2 273.336 1.608 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)CCCO1 ZINC000061918364 374121089 /nfs/dbraw/zinc/12/10/89/374121089.db2.gz DMJZWPJPPBXHTM-GFCCVEGCSA-N 1 2 273.336 1.608 20 30 CDEDLO Cc1cc(N2CCC[C@@H](n3cc(CO)nn3)C2)c(C#N)c[nH+]1 ZINC000516279144 374177230 /nfs/dbraw/zinc/17/72/30/374177230.db2.gz NXSLKHUMYDIAIY-CQSZACIVSA-N 1 2 298.350 1.187 20 30 CDEDLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cc1F ZINC000523568995 374278781 /nfs/dbraw/zinc/27/87/81/374278781.db2.gz LIXKUONYDVHOFE-JTQLQIEISA-N 1 2 297.355 1.022 20 30 CDEDLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cc1F ZINC000523568995 374278788 /nfs/dbraw/zinc/27/87/88/374278788.db2.gz LIXKUONYDVHOFE-JTQLQIEISA-N 1 2 297.355 1.022 20 30 CDEDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000371186141 374412776 /nfs/dbraw/zinc/41/27/76/374412776.db2.gz WBJXQGAMOWKHBN-JTQLQIEISA-N 1 2 261.300 1.408 20 30 CDEDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000371186141 374412779 /nfs/dbraw/zinc/41/27/79/374412779.db2.gz WBJXQGAMOWKHBN-JTQLQIEISA-N 1 2 261.300 1.408 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000429574375 374598714 /nfs/dbraw/zinc/59/87/14/374598714.db2.gz GOPQRYOSXIHETR-FKIZINRSSA-N 1 2 292.404 1.910 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000429574375 374598718 /nfs/dbraw/zinc/59/87/18/374598718.db2.gz GOPQRYOSXIHETR-FKIZINRSSA-N 1 2 292.404 1.910 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)c1 ZINC000274821711 374684220 /nfs/dbraw/zinc/68/42/20/374684220.db2.gz BJTOTRKKGSZAKS-UHFFFAOYSA-N 1 2 284.294 1.339 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CCc3n[nH]c(=O)cc3C2)c1 ZINC000274821711 374684223 /nfs/dbraw/zinc/68/42/23/374684223.db2.gz BJTOTRKKGSZAKS-UHFFFAOYSA-N 1 2 284.294 1.339 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000042242592 374818976 /nfs/dbraw/zinc/81/89/76/374818976.db2.gz KSRFJZRLENOYLE-MCIONIFRSA-N 1 2 266.385 1.685 20 30 CDEDLO N#Cc1cc(C(=O)NCc2cn3c([nH+]2)CCCC3)ccn1 ZINC000280182104 374986155 /nfs/dbraw/zinc/98/61/55/374986155.db2.gz GUDABHZRVFIYBW-UHFFFAOYSA-N 1 2 281.319 1.416 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000493361199 375447479 /nfs/dbraw/zinc/44/74/79/375447479.db2.gz WVSFOQCTTALPJB-OCCSQVGLSA-N 1 2 289.310 1.628 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000493361199 375447482 /nfs/dbraw/zinc/44/74/82/375447482.db2.gz WVSFOQCTTALPJB-OCCSQVGLSA-N 1 2 289.310 1.628 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2C)c1 ZINC000123434152 375839620 /nfs/dbraw/zinc/83/96/20/375839620.db2.gz DENJZYLMVXMGEJ-LBPRGKRZSA-N 1 2 260.337 1.572 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2CCNC(=O)[C@@H]2C)c1 ZINC000123434152 375839624 /nfs/dbraw/zinc/83/96/24/375839624.db2.gz DENJZYLMVXMGEJ-LBPRGKRZSA-N 1 2 260.337 1.572 20 30 CDEDLO Cc1ccc2nc(C[N@@H+](C)C[C@H](C)C#N)cc(=O)n2c1 ZINC000049001207 375873696 /nfs/dbraw/zinc/87/36/96/375873696.db2.gz LEMFZRYWCPWOQJ-GFCCVEGCSA-N 1 2 270.336 1.594 20 30 CDEDLO Cc1ccc2nc(C[N@H+](C)C[C@H](C)C#N)cc(=O)n2c1 ZINC000049001207 375873700 /nfs/dbraw/zinc/87/37/00/375873700.db2.gz LEMFZRYWCPWOQJ-GFCCVEGCSA-N 1 2 270.336 1.594 20 30 CDEDLO C[C@H](NC(=O)N1CCn2cc[nH+]c2C1)c1cn[nH]c1 ZINC000328878308 375997067 /nfs/dbraw/zinc/99/70/67/375997067.db2.gz UOVDKGGDAKGKER-VIFPVBQESA-N 1 2 260.301 1.097 20 30 CDEDLO CC(C)c1nnc([C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)[nH]1 ZINC000328941014 376016197 /nfs/dbraw/zinc/01/61/97/376016197.db2.gz SPTHMYORMTUOJG-VHSXEESVSA-N 1 2 281.360 1.276 20 30 CDEDLO CC(C)c1nnc([C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)[nH]1 ZINC000328941014 376016200 /nfs/dbraw/zinc/01/62/00/376016200.db2.gz SPTHMYORMTUOJG-VHSXEESVSA-N 1 2 281.360 1.276 20 30 CDEDLO CC(C)c1nc([C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)n[nH]1 ZINC000328941014 376016201 /nfs/dbraw/zinc/01/62/01/376016201.db2.gz SPTHMYORMTUOJG-VHSXEESVSA-N 1 2 281.360 1.276 20 30 CDEDLO CC(C)c1nc([C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)n[nH]1 ZINC000328941014 376016204 /nfs/dbraw/zinc/01/62/04/376016204.db2.gz SPTHMYORMTUOJG-VHSXEESVSA-N 1 2 281.360 1.276 20 30 CDEDLO CNC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328956333 376020441 /nfs/dbraw/zinc/02/04/41/376020441.db2.gz ZGMOUWHTPFGCPK-YPMHNXCESA-N 1 2 290.367 1.413 20 30 CDEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000375697210 376479445 /nfs/dbraw/zinc/47/94/45/376479445.db2.gz MBWQQOHXNWVVOM-GHMZBOCLSA-N 1 2 297.384 1.025 20 30 CDEDLO COC(=O)[C@@H]1CC[N@H+](CCCCC#N)[C@@H](C(=O)OC)C1 ZINC000248630723 377294167 /nfs/dbraw/zinc/29/41/67/377294167.db2.gz ZVOWWFSCRFHJAB-VXGBXAGGSA-N 1 2 282.340 1.107 20 30 CDEDLO COC(=O)[C@@H]1CC[N@@H+](CCCCC#N)[C@@H](C(=O)OC)C1 ZINC000248630723 377294170 /nfs/dbraw/zinc/29/41/70/377294170.db2.gz ZVOWWFSCRFHJAB-VXGBXAGGSA-N 1 2 282.340 1.107 20 30 CDEDLO C=CC[N@@H+](Cc1ccc(S(N)(=O)=O)o1)C1CC1 ZINC000639062142 377685779 /nfs/dbraw/zinc/68/57/79/377685779.db2.gz RBUNELYAOHJQCT-UHFFFAOYSA-N 1 2 256.327 1.077 20 30 CDEDLO C=CC[N@H+](Cc1ccc(S(N)(=O)=O)o1)C1CC1 ZINC000639062142 377685783 /nfs/dbraw/zinc/68/57/83/377685783.db2.gz RBUNELYAOHJQCT-UHFFFAOYSA-N 1 2 256.327 1.077 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000057874666 377858898 /nfs/dbraw/zinc/85/88/98/377858898.db2.gz YKFCOPOPRPYSIL-LBPRGKRZSA-N 1 2 262.357 1.230 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cccc2c1OCCCO2 ZINC000093461344 378078699 /nfs/dbraw/zinc/07/86/99/378078699.db2.gz PVHURPFCAXRSDB-UHFFFAOYSA-N 1 2 255.317 1.916 20 30 CDEDLO C=C(Br)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000283984937 378131353 /nfs/dbraw/zinc/13/13/53/378131353.db2.gz JBVUHSWVGHDPCM-QMMMGPOBSA-N 1 2 288.145 1.451 20 30 CDEDLO C=C(Br)C[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000283984937 378131359 /nfs/dbraw/zinc/13/13/59/378131359.db2.gz JBVUHSWVGHDPCM-QMMMGPOBSA-N 1 2 288.145 1.451 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CC)CC1 ZINC000283973800 378131758 /nfs/dbraw/zinc/13/17/58/378131758.db2.gz MIZKXVMJIRWMBD-UHFFFAOYSA-N 1 2 275.400 1.351 20 30 CDEDLO C=CCC(C)(C)CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC000293709338 378585617 /nfs/dbraw/zinc/58/56/17/378585617.db2.gz FKIQQZGJTYVFFF-ZDUSSCGKSA-N 1 2 292.383 1.175 20 30 CDEDLO C=CCC(C)(C)CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC000293709338 378585623 /nfs/dbraw/zinc/58/56/23/378585623.db2.gz FKIQQZGJTYVFFF-ZDUSSCGKSA-N 1 2 292.383 1.175 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000295416860 378674096 /nfs/dbraw/zinc/67/40/96/378674096.db2.gz LRSHZWOXKNKGPK-ZFWWWQNUSA-N 1 2 297.358 1.996 20 30 CDEDLO C=CCN(Cc1[nH+]ccn1CC)[C@@H]1CCS(=O)(=O)C1 ZINC000066560494 378679898 /nfs/dbraw/zinc/67/98/98/378679898.db2.gz UIASGNRSOBJESJ-GFCCVEGCSA-N 1 2 283.397 1.078 20 30 CDEDLO C[C@@H]1CC(=O)N[C@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000329047793 296288982 /nfs/dbraw/zinc/28/89/82/296288982.db2.gz JYRQRNLXSUXPOK-DCAQKATOSA-N 1 2 276.340 1.909 20 30 CDEDLO C=CCOCCC[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344151096 379222542 /nfs/dbraw/zinc/22/25/42/379222542.db2.gz VFDMWTKWEVKIFX-NSHDSACASA-N 1 2 266.345 1.282 20 30 CDEDLO C=CCOCCC[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000344151096 379222552 /nfs/dbraw/zinc/22/25/52/379222552.db2.gz VFDMWTKWEVKIFX-NSHDSACASA-N 1 2 266.345 1.282 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000354351471 285042657 /nfs/dbraw/zinc/04/26/57/285042657.db2.gz LQYATSYVHGWUST-UKRRQHHQSA-N 1 2 293.411 1.495 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000354351471 285042658 /nfs/dbraw/zinc/04/26/58/285042658.db2.gz 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/nfs/dbraw/zinc/94/58/89/390945889.db2.gz PLTJDTAESIVJCY-ZIAGYGMSSA-N 1 2 273.311 1.408 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)s1 ZINC000363882841 390947694 /nfs/dbraw/zinc/94/76/94/390947694.db2.gz CHBWLUFBTNNXNE-NSHDSACASA-N 1 2 263.366 1.136 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCN3CCOC[C@@H]3C2)s1 ZINC000363882841 390947695 /nfs/dbraw/zinc/94/76/95/390947695.db2.gz CHBWLUFBTNNXNE-NSHDSACASA-N 1 2 263.366 1.136 20 30 CDEDLO N#Cc1ccc(C(=O)NCCCNc2cccc[nH+]2)cc1O ZINC000188493660 390961873 /nfs/dbraw/zinc/96/18/73/390961873.db2.gz LUUJUTIUZRQWKL-UHFFFAOYSA-N 1 2 296.330 1.891 20 30 CDEDLO C[C@H](NC(=O)NCc1cn2c([nH+]1)CCCC2)c1nc[nH]n1 ZINC000329419726 390984307 /nfs/dbraw/zinc/98/43/07/390984307.db2.gz GQHRULIZRXYKKF-VIFPVBQESA-N 1 2 289.343 1.102 20 30 CDEDLO C[C@H]([NH2+]CC(=O)NCC#N)c1nc(C(C)(C)C)cs1 ZINC000184466297 390987278 /nfs/dbraw/zinc/98/72/78/390987278.db2.gz ZXUUGGNIYFNFDV-VIFPVBQESA-N 1 2 280.397 1.731 20 30 CDEDLO CC(C)CN(C(=O)C[NH+]1CCC(F)(C#N)CC1)C1CC1 ZINC000352463838 391148466 /nfs/dbraw/zinc/14/84/66/391148466.db2.gz LDTCKGCSSFIEKR-UHFFFAOYSA-N 1 2 281.375 1.961 20 30 CDEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1C)C(C)(C)C ZINC000491465753 391138374 /nfs/dbraw/zinc/13/83/74/391138374.db2.gz XXUNMMAJPWCUMG-QWHCGFSZSA-N 1 2 281.400 1.054 20 30 CDEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1C)C(C)(C)C ZINC000491465753 391138380 /nfs/dbraw/zinc/13/83/80/391138380.db2.gz XXUNMMAJPWCUMG-QWHCGFSZSA-N 1 2 281.400 1.054 20 30 CDEDLO CCN(CC)C(=O)CO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000177570342 391171499 /nfs/dbraw/zinc/17/14/99/391171499.db2.gz XWGKHBIRRMTFSD-UHFFFAOYSA-N 1 2 285.294 1.470 20 30 CDEDLO C=CCOCC[NH2+]C1(C(=O)OC)CCC(C)CC1 ZINC000339037816 391244824 /nfs/dbraw/zinc/24/48/24/391244824.db2.gz SBFOKZMFPVDOLW-UHFFFAOYSA-N 1 2 255.358 1.901 20 30 CDEDLO C=CCOCC[N@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000339098737 391253752 /nfs/dbraw/zinc/25/37/52/391253752.db2.gz FXZXVEHAJSRSPG-ZDUSSCGKSA-N 1 2 254.374 1.378 20 30 CDEDLO C=CCOCC[N@@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000339098737 391253755 /nfs/dbraw/zinc/25/37/55/391253755.db2.gz FXZXVEHAJSRSPG-ZDUSSCGKSA-N 1 2 254.374 1.378 20 30 CDEDLO CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccncc1 ZINC000267950097 391206899 /nfs/dbraw/zinc/20/68/99/391206899.db2.gz WDZFTRSTLLMEDN-MRXNPFEDSA-N 1 2 288.395 1.958 20 30 CDEDLO CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccncc1 ZINC000267950097 391206901 /nfs/dbraw/zinc/20/69/01/391206901.db2.gz WDZFTRSTLLMEDN-MRXNPFEDSA-N 1 2 288.395 1.958 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc(C#N)cs2)CCO1 ZINC000347623534 391304602 /nfs/dbraw/zinc/30/46/02/391304602.db2.gz NXGZUXVYHPFFJU-GFCCVEGCSA-N 1 2 293.392 1.460 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc(C#N)cs2)CCO1 ZINC000347623534 391304604 /nfs/dbraw/zinc/30/46/04/391304604.db2.gz NXGZUXVYHPFFJU-GFCCVEGCSA-N 1 2 293.392 1.460 20 30 CDEDLO C[C@H](C#N)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000345831782 391319512 /nfs/dbraw/zinc/31/95/12/391319512.db2.gz CFWJWOSAZFFBGD-VXGBXAGGSA-N 1 2 288.351 1.083 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000339747734 391343267 /nfs/dbraw/zinc/34/32/67/391343267.db2.gz AHSXKTNDQPVMFR-KGLIPLIRSA-N 1 2 250.386 1.979 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000339747734 391343271 /nfs/dbraw/zinc/34/32/71/391343271.db2.gz AHSXKTNDQPVMFR-KGLIPLIRSA-N 1 2 250.386 1.979 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCc1ccc(CC)s1 ZINC000339752309 391345713 /nfs/dbraw/zinc/34/57/13/391345713.db2.gz WZWCVEFUKLPZCP-UHFFFAOYSA-N 1 2 264.394 1.882 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCc1ccc(CC)s1 ZINC000339752309 391345716 /nfs/dbraw/zinc/34/57/16/391345716.db2.gz WZWCVEFUKLPZCP-UHFFFAOYSA-N 1 2 264.394 1.882 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000339764578 391353553 /nfs/dbraw/zinc/35/35/53/391353553.db2.gz UDBRYARMXCJOMC-UHFFFAOYSA-N 1 2 275.308 1.797 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000339764578 391353556 /nfs/dbraw/zinc/35/35/56/391353556.db2.gz UDBRYARMXCJOMC-UHFFFAOYSA-N 1 2 275.308 1.797 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346443565 391356651 /nfs/dbraw/zinc/35/66/51/391356651.db2.gz ARCGOSJVXKIOLD-ZIAGYGMSSA-N 1 2 293.411 1.106 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346443565 391356655 /nfs/dbraw/zinc/35/66/55/391356655.db2.gz ARCGOSJVXKIOLD-ZIAGYGMSSA-N 1 2 293.411 1.106 20 30 CDEDLO C=CC[C@H](CO)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000346955441 391378982 /nfs/dbraw/zinc/37/89/82/391378982.db2.gz OEQOZYBIVWXIJK-MGPQQGTHSA-N 1 2 289.379 1.207 20 30 CDEDLO Cc1ccc(F)cc1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000330455225 391424911 /nfs/dbraw/zinc/42/49/11/391424911.db2.gz MYTRKYZQLIUIQH-CYBMUJFWSA-N 1 2 296.342 1.132 20 30 CDEDLO COC(=O)C1(NC(=O)c2c[nH+]c(C)[nH]2)CCCC1 ZINC000330448585 391434823 /nfs/dbraw/zinc/43/48/23/391434823.db2.gz IPTJJVUSGMRBGD-UHFFFAOYSA-N 1 2 251.286 1.509 20 30 CDEDLO C[C@@H](C#N)NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000125052075 391438347 /nfs/dbraw/zinc/43/83/47/391438347.db2.gz HZAUSBQHZQAQJY-GXTWGEPZSA-N 1 2 289.404 1.805 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@]1(C)CC ZINC000330503932 391439820 /nfs/dbraw/zinc/43/98/20/391439820.db2.gz DBMVXDXBCMRTCY-HIFRSBDPSA-N 1 2 281.400 1.495 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOC[C@]1(C)CC ZINC000330503932 391439823 /nfs/dbraw/zinc/43/98/23/391439823.db2.gz DBMVXDXBCMRTCY-HIFRSBDPSA-N 1 2 281.400 1.495 20 30 CDEDLO N#CC1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000354353984 391416069 /nfs/dbraw/zinc/41/60/69/391416069.db2.gz WZFMOOPNZFHLPU-OAHLLOKOSA-N 1 2 291.395 1.249 20 30 CDEDLO N#CC1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000354353984 391416074 /nfs/dbraw/zinc/41/60/74/391416074.db2.gz WZFMOOPNZFHLPU-OAHLLOKOSA-N 1 2 291.395 1.249 20 30 CDEDLO C=C(CC)C[N@H+](C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000358861495 391565201 /nfs/dbraw/zinc/56/52/01/391565201.db2.gz ODOWOPWLKNDUGU-ZIAGYGMSSA-N 1 2 287.425 1.621 20 30 CDEDLO C=C(CC)C[N@@H+](C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000358861495 391565205 /nfs/dbraw/zinc/56/52/05/391565205.db2.gz ODOWOPWLKNDUGU-ZIAGYGMSSA-N 1 2 287.425 1.621 20 30 CDEDLO CN(C)C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439440237 391635158 /nfs/dbraw/zinc/63/51/58/391635158.db2.gz NZYCTTJHHWQBLD-UHFFFAOYSA-N 1 2 294.786 1.915 20 30 CDEDLO CN(C)C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439440237 391635160 /nfs/dbraw/zinc/63/51/60/391635160.db2.gz NZYCTTJHHWQBLD-UHFFFAOYSA-N 1 2 294.786 1.915 20 30 CDEDLO COCC[N@H+](Cc1ccc(C#N)cc1Cl)[C@@H](C)C(N)=O ZINC000439454582 391640296 /nfs/dbraw/zinc/64/02/96/391640296.db2.gz SDKKCSCETXQZRT-JTQLQIEISA-N 1 2 295.770 1.534 20 30 CDEDLO COCC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H](C)C(N)=O ZINC000439454582 391640299 /nfs/dbraw/zinc/64/02/99/391640299.db2.gz SDKKCSCETXQZRT-JTQLQIEISA-N 1 2 295.770 1.534 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000335843196 391594619 /nfs/dbraw/zinc/59/46/19/391594619.db2.gz LAKSRFKBCQGREU-JTQLQIEISA-N 1 2 255.343 1.453 20 30 CDEDLO C=CCOC[C@@H]([NH2+]CC1(OC)CCCC1)C(=O)OC ZINC000361114011 391683971 /nfs/dbraw/zinc/68/39/71/391683971.db2.gz PXTQHLBTGNFUBU-GFCCVEGCSA-N 1 2 271.357 1.279 20 30 CDEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N1CCC1 ZINC000362185539 391714768 /nfs/dbraw/zinc/71/47/68/391714768.db2.gz LPKUEDGRDRWBIE-UHFFFAOYSA-N 1 2 251.374 1.871 20 30 CDEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N1CCC1 ZINC000362185539 391714769 /nfs/dbraw/zinc/71/47/69/391714769.db2.gz LPKUEDGRDRWBIE-UHFFFAOYSA-N 1 2 251.374 1.871 20 30 CDEDLO C[C@H](C(=O)NC1CCCCC1)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000329096224 391750708 /nfs/dbraw/zinc/75/07/08/391750708.db2.gz YENRYDYGSBMCSU-DGCLKSJQSA-N 1 2 281.400 1.827 20 30 CDEDLO C[C@H](C(=O)NC1CCCCC1)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000329096224 391750709 /nfs/dbraw/zinc/75/07/09/391750709.db2.gz YENRYDYGSBMCSU-DGCLKSJQSA-N 1 2 281.400 1.827 20 30 CDEDLO Cc1cc(C#N)nc(NCCc2cn3ccccc3[nH+]2)n1 ZINC000341744859 130017530 /nfs/dbraw/zinc/01/75/30/130017530.db2.gz QIRZEELYQSBLSZ-UHFFFAOYSA-N 1 2 278.319 1.381 20 30 CDEDLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191534499 130251392 /nfs/dbraw/zinc/25/13/92/130251392.db2.gz DBCGSFGTEBKBNP-AWEZNQCLSA-N 1 2 261.325 1.424 20 30 CDEDLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191534499 130251393 /nfs/dbraw/zinc/25/13/93/130251393.db2.gz DBCGSFGTEBKBNP-AWEZNQCLSA-N 1 2 261.325 1.424 20 30 CDEDLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329898745 391795830 /nfs/dbraw/zinc/79/58/30/391795830.db2.gz FBAIUANOKGZRET-JTNHKYCSSA-N 1 2 268.357 1.374 20 30 CDEDLO C[C@H](C(=O)NC1CC1)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329898745 391795832 /nfs/dbraw/zinc/79/58/32/391795832.db2.gz FBAIUANOKGZRET-JTNHKYCSSA-N 1 2 268.357 1.374 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1 ZINC000192220415 130396762 /nfs/dbraw/zinc/39/67/62/130396762.db2.gz VDJUNPLEQZXLQX-UHFFFAOYSA-N 1 2 296.374 1.993 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1 ZINC000192220415 130396767 /nfs/dbraw/zinc/39/67/67/130396767.db2.gz VDJUNPLEQZXLQX-UHFFFAOYSA-N 1 2 296.374 1.993 20 30 CDEDLO Cc1cc(C)c(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c(=O)[nH]1 ZINC000330207098 391813657 /nfs/dbraw/zinc/81/36/57/391813657.db2.gz ACDFRTZMMXSABF-SNVBAGLBSA-N 1 2 286.335 1.989 20 30 CDEDLO Cc1cc(C)c(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c(=O)[nH]1 ZINC000330207098 391813659 /nfs/dbraw/zinc/81/36/59/391813659.db2.gz ACDFRTZMMXSABF-SNVBAGLBSA-N 1 2 286.335 1.989 20 30 CDEDLO C=C(Cl)CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000372305391 391846749 /nfs/dbraw/zinc/84/67/49/391846749.db2.gz PUVSZHAAZIDOGS-JTQLQIEISA-N 1 2 268.748 1.672 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCS3)n2C)CC1 ZINC000491383399 391858345 /nfs/dbraw/zinc/85/83/45/391858345.db2.gz LQDLIJICXCNAKP-GFCCVEGCSA-N 1 2 291.424 1.138 20 30 CDEDLO Cc1cc(C(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)c(C)n1C ZINC000646031273 391917061 /nfs/dbraw/zinc/91/70/61/391917061.db2.gz ZOKRAQAVECCRAU-OAHLLOKOSA-N 1 2 275.352 1.175 20 30 CDEDLO Cc1cc(C(=O)C[N@H+]2CC[C@](O)(CC#N)C2)c(C)n1C ZINC000646031273 391917072 /nfs/dbraw/zinc/91/70/72/391917072.db2.gz ZOKRAQAVECCRAU-OAHLLOKOSA-N 1 2 275.352 1.175 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc(C#N)c(O)c2)C1 ZINC000442673275 392448301 /nfs/dbraw/zinc/44/83/01/392448301.db2.gz SXVDDCHJJLITLZ-ZDUSSCGKSA-N 1 2 296.330 1.627 20 30 CDEDLO N#Cc1ccc(OC2C[NH+](CC3=CCCOC3)C2)cc1 ZINC000459614993 392492320 /nfs/dbraw/zinc/49/23/20/392492320.db2.gz ONESEUGQUOJXTO-UHFFFAOYSA-N 1 2 270.332 1.968 20 30 CDEDLO N#Cc1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)s1 ZINC000548645486 392499240 /nfs/dbraw/zinc/49/92/40/392499240.db2.gz GXMSNDJQVZKRFL-VIFPVBQESA-N 1 2 272.333 1.561 20 30 CDEDLO CC[N@H+](Cc1nnnn1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000356021721 392739939 /nfs/dbraw/zinc/73/99/39/392739939.db2.gz FULZCSVZKSVTMG-NSHDSACASA-N 1 2 270.340 1.665 20 30 CDEDLO CC[N@@H+](Cc1nnnn1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000356021721 392739951 /nfs/dbraw/zinc/73/99/51/392739951.db2.gz FULZCSVZKSVTMG-NSHDSACASA-N 1 2 270.340 1.665 20 30 CDEDLO COc1ncccc1CCNc1cc(C)[nH+]cc1C#N ZINC000425265472 393009967 /nfs/dbraw/zinc/00/99/67/393009967.db2.gz DWARPWFQEZYOIO-UHFFFAOYSA-N 1 2 268.320 1.742 20 30 CDEDLO COCC[N@H+](C)Cc1cccc(C(=O)OC)c1C#N ZINC000533778016 393087235 /nfs/dbraw/zinc/08/72/35/393087235.db2.gz RXVZINWPTYARDS-UHFFFAOYSA-N 1 2 262.309 1.423 20 30 CDEDLO COCC[N@@H+](C)Cc1cccc(C(=O)OC)c1C#N ZINC000533778016 393087238 /nfs/dbraw/zinc/08/72/38/393087238.db2.gz RXVZINWPTYARDS-UHFFFAOYSA-N 1 2 262.309 1.423 20 30 CDEDLO COC(=O)c1cccc(C[N@H+](CCO)C2CC2)c1C#N ZINC000534490653 393097773 /nfs/dbraw/zinc/09/77/73/393097773.db2.gz IJRYRTILFFNDAD-UHFFFAOYSA-N 1 2 274.320 1.302 20 30 CDEDLO COC(=O)c1cccc(C[N@@H+](CCO)C2CC2)c1C#N ZINC000534490653 393097775 /nfs/dbraw/zinc/09/77/75/393097775.db2.gz IJRYRTILFFNDAD-UHFFFAOYSA-N 1 2 274.320 1.302 20 30 CDEDLO N#Cc1csc(C(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000530980044 393057713 /nfs/dbraw/zinc/05/77/13/393057713.db2.gz SWBVEKQANAXACW-UHFFFAOYSA-N 1 2 258.306 1.513 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)o1 ZINC000494364132 393230892 /nfs/dbraw/zinc/23/08/92/393230892.db2.gz MOKVSKSFXBYGMH-JTQLQIEISA-N 1 2 261.281 1.178 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)o1 ZINC000494364132 393230897 /nfs/dbraw/zinc/23/08/97/393230897.db2.gz MOKVSKSFXBYGMH-JTQLQIEISA-N 1 2 261.281 1.178 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC)C[C@H](C)O1 ZINC000253339870 140333233 /nfs/dbraw/zinc/33/32/33/140333233.db2.gz APGQWOXCTRFLTR-WFASDCNBSA-N 1 2 290.363 1.803 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC)C[C@H](C)O1 ZINC000253339870 140333236 /nfs/dbraw/zinc/33/32/36/140333236.db2.gz APGQWOXCTRFLTR-WFASDCNBSA-N 1 2 290.363 1.803 20 30 CDEDLO COc1cc(C[N@@H+]2CCCC[C@H]2C(N)=O)ccc1C#N ZINC000234968880 398087285 /nfs/dbraw/zinc/08/72/85/398087285.db2.gz XOBWDVDAJCYDOV-ZDUSSCGKSA-N 1 2 273.336 1.407 20 30 CDEDLO COc1cc(C[N@H+]2CCCC[C@H]2C(N)=O)ccc1C#N ZINC000234968880 398087288 /nfs/dbraw/zinc/08/72/88/398087288.db2.gz XOBWDVDAJCYDOV-ZDUSSCGKSA-N 1 2 273.336 1.407 20 30 CDEDLO Cc1cc[nH+]c(NCCCc2[nH]nc(N)c2C#N)c1Cl ZINC000358851113 158051623 /nfs/dbraw/zinc/05/16/23/158051623.db2.gz ZIUBMENTSRBOAW-UHFFFAOYSA-N 1 2 290.758 1.517 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000371370926 160000387 /nfs/dbraw/zinc/00/03/87/160000387.db2.gz PXSDLQXNAIGKFC-NSHDSACASA-N 1 2 269.308 1.250 20 30 CDEDLO N#Cc1ccc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000373088895 160171825 /nfs/dbraw/zinc/17/18/25/160171825.db2.gz SXEVUZZAUPRJQC-AWEZNQCLSA-N 1 2 280.331 1.634 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1c(F)cncc1F ZINC000285518132 196311449 /nfs/dbraw/zinc/31/14/49/196311449.db2.gz DSWYHYBMGBZNHC-BDAKNGLRSA-N 1 2 269.295 1.701 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc(C#N)cc1F ZINC000042322234 174684961 /nfs/dbraw/zinc/68/49/61/174684961.db2.gz XIBODYUZIDMRLE-NSHDSACASA-N 1 2 263.316 1.830 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1OC ZINC000044874187 175269201 /nfs/dbraw/zinc/26/92/01/175269201.db2.gz FMYOLPCPSVOKRB-LBPRGKRZSA-N 1 2 262.353 1.818 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1OC ZINC000044874187 175269202 /nfs/dbraw/zinc/26/92/02/175269202.db2.gz FMYOLPCPSVOKRB-LBPRGKRZSA-N 1 2 262.353 1.818 20 30 CDEDLO C#CC[N@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000070784811 176005736 /nfs/dbraw/zinc/00/57/36/176005736.db2.gz SARJYOTYQVJQBI-UHFFFAOYSA-N 1 2 296.367 1.155 20 30 CDEDLO C#CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000070784811 176005738 /nfs/dbraw/zinc/00/57/38/176005738.db2.gz SARJYOTYQVJQBI-UHFFFAOYSA-N 1 2 296.367 1.155 20 30 CDEDLO Cc1[nH+]ccn1CCNC([O-])=[NH+][C@]1(C)CCCOC1 ZINC000329141878 227323498 /nfs/dbraw/zinc/32/34/98/227323498.db2.gz KSRBBQMACUAIMC-CYBMUJFWSA-N 1 2 266.345 1.264 20 30 CDEDLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000330029472 228020928 /nfs/dbraw/zinc/02/09/28/228020928.db2.gz QAYHMANBFVQZMA-QJPTWQEYSA-N 1 2 268.357 1.279 20 30 CDEDLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000330029472 228020931 /nfs/dbraw/zinc/02/09/31/228020931.db2.gz QAYHMANBFVQZMA-QJPTWQEYSA-N 1 2 268.357 1.279 20 30 CDEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000331557406 228110866 /nfs/dbraw/zinc/11/08/66/228110866.db2.gz CCHJMBMJGQWUHU-PWSUYJOCSA-N 1 2 287.319 1.636 20 30 CDEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N[C@@H]1CCCCNC1=O ZINC000330174679 228056506 /nfs/dbraw/zinc/05/65/06/228056506.db2.gz IMABFRPJBGARPY-GHMZBOCLSA-N 1 2 291.355 1.211 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)NCC2CCC2)CCO1 ZINC000330320856 228146833 /nfs/dbraw/zinc/14/68/33/228146833.db2.gz FNVYLNVQPYWACE-JSGCOSHPSA-N 1 2 292.383 1.944 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000332684798 228165517 /nfs/dbraw/zinc/16/55/17/228165517.db2.gz IWDCXJDSPQQPGN-GFCCVEGCSA-N 1 2 287.363 1.511 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCc2ccc(O)cc2C1 ZINC000332684798 228165518 /nfs/dbraw/zinc/16/55/18/228165518.db2.gz IWDCXJDSPQQPGN-GFCCVEGCSA-N 1 2 287.363 1.511 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CCCCC#N)C1CC1 ZINC000352304107 228217091 /nfs/dbraw/zinc/21/70/91/228217091.db2.gz XHFNBGJYSLVOHG-GFCCVEGCSA-N 1 2 296.396 1.484 20 30 CDEDLO C=CC[C@H](C)NC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000117077233 260021839 /nfs/dbraw/zinc/02/18/39/260021839.db2.gz GLJDESQKFGPFAM-VIFPVBQESA-N 1 2 263.297 1.110 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(CC)s1)[C@H]1CCS(=O)(=O)C1 ZINC000490897309 261241475 /nfs/dbraw/zinc/24/14/75/261241475.db2.gz BGGJAQWEKGUTTR-LBPRGKRZSA-N 1 2 297.445 1.933 20 30 CDEDLO C#CC[N@H+](Cc1ccc(CC)s1)[C@H]1CCS(=O)(=O)C1 ZINC000490897309 261241477 /nfs/dbraw/zinc/24/14/77/261241477.db2.gz BGGJAQWEKGUTTR-LBPRGKRZSA-N 1 2 297.445 1.933 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1ccccc1OCC(=O)N(C)C ZINC000184091293 262007974 /nfs/dbraw/zinc/00/79/74/262007974.db2.gz WJVBXUNOKAFMSZ-CQSZACIVSA-N 1 2 289.379 1.935 20 30 CDEDLO C=CCSCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160877798 262303274 /nfs/dbraw/zinc/30/32/74/262303274.db2.gz PIHCDDZERWFZCK-NSHDSACASA-N 1 2 265.382 1.481 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000337588890 262462153 /nfs/dbraw/zinc/46/21/53/262462153.db2.gz MBHLKPVAJNJVCD-DZGCQCFKSA-N 1 2 289.379 1.536 20 30 CDEDLO C=CCCCS(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000339069441 262591761 /nfs/dbraw/zinc/59/17/61/262591761.db2.gz VSJPORWTJIPELF-TXEJJXNPSA-N 1 2 260.403 1.307 20 30 CDEDLO C=CCCCS(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000339069441 262591762 /nfs/dbraw/zinc/59/17/62/262591762.db2.gz VSJPORWTJIPELF-TXEJJXNPSA-N 1 2 260.403 1.307 20 30 CDEDLO C=CCCN(C)c1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000413253686 262757913 /nfs/dbraw/zinc/75/79/13/262757913.db2.gz ABTYHRBAYPQCTM-STQMWFEESA-N 1 2 276.384 1.696 20 30 CDEDLO C=CCCN(C)c1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413253686 262757914 /nfs/dbraw/zinc/75/79/14/262757914.db2.gz ABTYHRBAYPQCTM-STQMWFEESA-N 1 2 276.384 1.696 20 30 CDEDLO CO[C@@H](CO[NH+]=C(N)C(C)(C)NC(C)=O)c1ccccc1 ZINC000283526552 263083168 /nfs/dbraw/zinc/08/31/68/263083168.db2.gz WWSGIJUWCOCJQB-ZDUSSCGKSA-N 1 2 293.367 1.578 20 30 CDEDLO COc1cc(C)nc(CO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000283912498 263084745 /nfs/dbraw/zinc/08/47/45/263084745.db2.gz DORGFMGKFJUMGA-GFCCVEGCSA-N 1 2 265.313 1.366 20 30 CDEDLO C[C@@H]([NH2+][C@H](C)c1c(F)cncc1F)C(=O)N(C)CCC#N ZINC000285786284 263095674 /nfs/dbraw/zinc/09/56/74/263095674.db2.gz SUMPOQCSXGJUAD-NXEZZACHSA-N 1 2 296.321 1.771 20 30 CDEDLO NC(=[NH+]OCCN1CCc2ccccc21)[C@@H]1CCCO1 ZINC000291799511 263125606 /nfs/dbraw/zinc/12/56/06/263125606.db2.gz BTXIEHIZINBQEP-AWEZNQCLSA-N 1 2 275.352 1.517 20 30 CDEDLO CCC[C@@H](C)C(=O)NCC/[NH+]=C/c1ccc(O)c(O)c1O ZINC000292397463 263131750 /nfs/dbraw/zinc/13/17/50/263131750.db2.gz WUORMQXDDHUFCW-VCBXAZPMSA-N 1 2 294.351 1.775 20 30 CDEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COCC(F)(F)F ZINC000293192718 263138506 /nfs/dbraw/zinc/13/85/06/263138506.db2.gz FGUVMDAZJNIQPN-SNVBAGLBSA-N 1 2 266.263 1.328 20 30 CDEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COCC(F)(F)F ZINC000293192718 263138507 /nfs/dbraw/zinc/13/85/07/263138507.db2.gz FGUVMDAZJNIQPN-SNVBAGLBSA-N 1 2 266.263 1.328 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc2c(c1)NC(=O)CO2 ZINC000295333818 263176135 /nfs/dbraw/zinc/17/61/35/263176135.db2.gz MECLDVAWDVNOAI-JTQLQIEISA-N 1 2 259.309 1.751 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc2c(c1)NC(=O)CO2 ZINC000295333818 263176136 /nfs/dbraw/zinc/17/61/36/263176136.db2.gz MECLDVAWDVNOAI-JTQLQIEISA-N 1 2 259.309 1.751 20 30 CDEDLO COCC1(O)C[NH+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000297477683 263205676 /nfs/dbraw/zinc/20/56/76/263205676.db2.gz TXPFWMCVJBQHMZ-UHFFFAOYSA-N 1 2 289.379 1.230 20 30 CDEDLO C=CC[C@H](CO)CNc1cc(NCC2CC2)[nH+]cn1 ZINC000340880740 263311268 /nfs/dbraw/zinc/31/12/68/263311268.db2.gz LKUFHNATISSVMM-LBPRGKRZSA-N 1 2 262.357 1.317 20 30 CDEDLO C=CC[C@H](CO)CNc1cc(NCC2CC2)nc[nH+]1 ZINC000340880740 263311270 /nfs/dbraw/zinc/31/12/70/263311270.db2.gz LKUFHNATISSVMM-LBPRGKRZSA-N 1 2 262.357 1.317 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCc2c(ccc(OC)c2OC)C1 ZINC000340979604 263316747 /nfs/dbraw/zinc/31/67/47/263316747.db2.gz FMMDPBGMMBAWRD-UHFFFAOYSA-N 1 2 290.363 1.364 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCc2c(ccc(OC)c2OC)C1 ZINC000340979604 263316749 /nfs/dbraw/zinc/31/67/49/263316749.db2.gz FMMDPBGMMBAWRD-UHFFFAOYSA-N 1 2 290.363 1.364 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000341361179 263334010 /nfs/dbraw/zinc/33/40/10/263334010.db2.gz GAUWBYXBOINMEY-CYBMUJFWSA-N 1 2 291.399 1.592 20 30 CDEDLO N#CCNC(=O)C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000341982979 263371009 /nfs/dbraw/zinc/37/10/09/263371009.db2.gz BBRQWHWFBREFMZ-UHFFFAOYSA-N 1 2 263.263 1.291 20 30 CDEDLO N#CCCCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000330892203 264077226 /nfs/dbraw/zinc/07/72/26/264077226.db2.gz KPCGBAWTPKLUHD-ZDUSSCGKSA-N 1 2 265.357 1.003 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)NCC(=O)NC(C)C)cc2n1C ZINC000331026817 264099806 /nfs/dbraw/zinc/09/98/06/264099806.db2.gz PNJQFUWYWRZPEA-UHFFFAOYSA-N 1 2 288.351 1.711 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)NCC(=O)c2ccccc2)C1 ZINC000661154424 423954658 /nfs/dbraw/zinc/95/46/58/423954658.db2.gz PVPLYMBYXIMPGR-CQSZACIVSA-N 1 2 299.374 1.611 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](CC(=O)NCC(=O)c2ccccc2)C1 ZINC000661154424 423954673 /nfs/dbraw/zinc/95/46/73/423954673.db2.gz PVPLYMBYXIMPGR-CQSZACIVSA-N 1 2 299.374 1.611 20 30 CDEDLO C[N@H+](CC(=O)NCCC#N)Cc1ccccc1Cl ZINC000048272880 424162766 /nfs/dbraw/zinc/16/27/66/424162766.db2.gz VAASOEDUOSPWKQ-UHFFFAOYSA-N 1 2 265.744 1.802 20 30 CDEDLO C[N@@H+](CC(=O)NCCC#N)Cc1ccccc1Cl ZINC000048272880 424162775 /nfs/dbraw/zinc/16/27/75/424162775.db2.gz VAASOEDUOSPWKQ-UHFFFAOYSA-N 1 2 265.744 1.802 20 30 CDEDLO C=CCCn1cc(CN2CCC[C@H](n3cc[nH+]c3)C2)nn1 ZINC000653547957 424262891 /nfs/dbraw/zinc/26/28/91/424262891.db2.gz GHQSSZRVDDFZOF-HNNXBMFYSA-N 1 2 286.383 1.888 20 30 CDEDLO C=CCOCCNC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000652511963 424513083 /nfs/dbraw/zinc/51/30/83/424513083.db2.gz FRYZDPKKQUCHNV-NSHDSACASA-N 1 2 266.345 1.466 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccccc1OC(F)F ZINC000520478035 265831109 /nfs/dbraw/zinc/83/11/09/265831109.db2.gz FTULMYVBRCASOT-AWEZNQCLSA-N 1 2 297.305 1.862 20 30 CDEDLO C=CCCC1(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)OC)CC1 ZINC000356541398 266134231 /nfs/dbraw/zinc/13/42/31/266134231.db2.gz LQWIIEORIKYBCR-LBPRGKRZSA-N 1 2 291.351 1.356 20 30 CDEDLO C=CCCC1(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)OC)CC1 ZINC000356541398 266134234 /nfs/dbraw/zinc/13/42/34/266134234.db2.gz LQWIIEORIKYBCR-LBPRGKRZSA-N 1 2 291.351 1.356 20 30 CDEDLO C=C[C@H](CO)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000356871538 266200450 /nfs/dbraw/zinc/20/04/50/266200450.db2.gz IXQSUYBACNUAFA-CQSZACIVSA-N 1 2 285.347 1.137 20 30 CDEDLO C[C@@H](C#N)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000357919462 266385230 /nfs/dbraw/zinc/38/52/30/266385230.db2.gz VRNWJSBXTTVNOO-LBPRGKRZSA-N 1 2 268.320 1.707 20 30 CDEDLO CCC(C)(C)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000362631839 267027282 /nfs/dbraw/zinc/02/72/82/267027282.db2.gz SEIQCLSNFWUSMI-UHFFFAOYSA-N 1 2 295.427 1.887 20 30 CDEDLO Cn1nnc(C[NH2+]Cc2cccc(OCCCC#N)c2)n1 ZINC000362969891 267069075 /nfs/dbraw/zinc/06/90/75/267069075.db2.gz PUGLNFYGHCKOTE-UHFFFAOYSA-N 1 2 286.339 1.182 20 30 CDEDLO CCN(CC#N)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117633418 267217331 /nfs/dbraw/zinc/21/73/31/267217331.db2.gz GKXZBIRSUUYLIG-UHFFFAOYSA-N 1 2 254.293 1.858 20 30 CDEDLO CCc1nsc(N2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000330264675 276705919 /nfs/dbraw/zinc/70/59/19/276705919.db2.gz YFHGYMKCDLPTKT-RYUDHWBXSA-N 1 2 291.424 1.915 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(CC(F)F)CC2)cc1 ZINC000057919924 279190936 /nfs/dbraw/zinc/19/09/36/279190936.db2.gz KYTPICYIJBUJKL-UHFFFAOYSA-N 1 2 265.307 1.941 20 30 CDEDLO CCN1CCN(c2cc(C)nc(C#N)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000553565536 290127834 /nfs/dbraw/zinc/12/78/34/290127834.db2.gz HABRQWZVPABILJ-OAHLLOKOSA-N 1 2 296.378 1.868 20 30 CDEDLO C[C@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000157267483 290138490 /nfs/dbraw/zinc/13/84/90/290138490.db2.gz VGBKJAQNPNNGJI-SWLSCSKDSA-N 1 2 260.337 1.530 20 30 CDEDLO C[C@H]1C[N@H+](CCNc2c(C#N)cccc2[N+](=O)[O-])CCO1 ZINC000563018580 293246354 /nfs/dbraw/zinc/24/63/54/293246354.db2.gz MQIUFXJGDDEFCA-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@H]1C[N@@H+](CCNc2c(C#N)cccc2[N+](=O)[O-])CCO1 ZINC000563018580 293246355 /nfs/dbraw/zinc/24/63/55/293246355.db2.gz MQIUFXJGDDEFCA-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO Cc1nnsc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000329966056 293910614 /nfs/dbraw/zinc/91/06/14/293910614.db2.gz VKPIXGDXBOQUGJ-QMMMGPOBSA-N 1 2 263.326 1.363 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@@H]2CCOC2)c(C#N)c1C ZINC000155692795 294036060 /nfs/dbraw/zinc/03/60/60/294036060.db2.gz LSCXJAYGXKXYKH-LLVKDONJSA-N 1 2 277.324 1.427 20 30 CDEDLO Cc1ccc[nH+]c1CCCNc1cc(C#N)ncn1 ZINC000568719606 294086854 /nfs/dbraw/zinc/08/68/54/294086854.db2.gz VNEUHKFQLMMLKY-UHFFFAOYSA-N 1 2 253.309 1.518 20 30 CDEDLO Cc1noc([C@H](C)[N@H+](C)Cc2cc(C#N)n(C)c2)n1 ZINC000570343171 294220664 /nfs/dbraw/zinc/22/06/64/294220664.db2.gz HIYJCXKOTCBPOS-VIFPVBQESA-N 1 2 259.313 1.781 20 30 CDEDLO Cc1noc([C@H](C)[N@@H+](C)Cc2cc(C#N)n(C)c2)n1 ZINC000570343171 294220667 /nfs/dbraw/zinc/22/06/67/294220667.db2.gz HIYJCXKOTCBPOS-VIFPVBQESA-N 1 2 259.313 1.781 20 30 CDEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCSCC2)cc1 ZINC000115535991 303200248 /nfs/dbraw/zinc/20/02/48/303200248.db2.gz PAYYJQQJPLQHAJ-LBPRGKRZSA-N 1 2 261.350 1.133 20 30 CDEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc(C#N)cn1 ZINC000569430381 316778034 /nfs/dbraw/zinc/77/80/34/316778034.db2.gz UJABWMWCGSRYHQ-JTQLQIEISA-N 1 2 269.308 1.661 20 30 CDEDLO C=CCCCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000412356567 328109351 /nfs/dbraw/zinc/10/93/51/328109351.db2.gz CSALJZLZZNAOLC-CYBMUJFWSA-N 1 2 282.384 1.344 20 30 CDEDLO C=CCCCC(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000412356567 328109352 /nfs/dbraw/zinc/10/93/52/328109352.db2.gz CSALJZLZZNAOLC-CYBMUJFWSA-N 1 2 282.384 1.344 20 30 CDEDLO C[C@H](C#N)CNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000582142136 328300381 /nfs/dbraw/zinc/30/03/81/328300381.db2.gz SVSJINZMUNYGPV-GFCCVEGCSA-N 1 2 276.340 1.266 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000535259769 328398853 /nfs/dbraw/zinc/39/88/53/328398853.db2.gz FBCOMFBMAKPAHD-NSHDSACASA-N 1 2 263.366 1.552 20 30 CDEDLO COC(=O)c1ccc(NCCCn2cc[nH+]c2)c(C#N)n1 ZINC000584138241 327048337 /nfs/dbraw/zinc/04/83/37/327048337.db2.gz APVJFYIMNYMEEJ-UHFFFAOYSA-N 1 2 285.307 1.439 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccc2c(c1)CCO2 ZINC000573449922 327169652 /nfs/dbraw/zinc/16/96/52/327169652.db2.gz XANLGFCHAUQDFN-MRXNPFEDSA-N 1 2 287.363 1.124 20 30 CDEDLO C[C@H]1CCc2onc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c2C1 ZINC000566309771 327299897 /nfs/dbraw/zinc/29/98/97/327299897.db2.gz SDJSZDPISZSOSY-ZUZCIYMTSA-N 1 2 290.367 1.373 20 30 CDEDLO C=C[C@@H](CO)[NH2+]Cc1cccc(O)c1Br ZINC000459556029 331287604 /nfs/dbraw/zinc/28/76/04/331287604.db2.gz AILBDPLJICXMBK-VIFPVBQESA-N 1 2 272.142 1.791 20 30 CDEDLO C=CCCC(=O)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000560650763 327333625 /nfs/dbraw/zinc/33/36/25/327333625.db2.gz VIWDIWGNAOQEHX-AWEZNQCLSA-N 1 2 298.452 1.619 20 30 CDEDLO CC(C)c1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn1C ZINC000578754340 327349919 /nfs/dbraw/zinc/34/99/19/327349919.db2.gz YUSTVLQMQKFNGC-CQSZACIVSA-N 1 2 277.372 1.117 20 30 CDEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)NCC#N ZINC000175384016 329165431 /nfs/dbraw/zinc/16/54/31/329165431.db2.gz IIFKZZUHYXQTBP-PRWKNARSSA-N 1 2 293.392 1.057 20 30 CDEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)NCC#N ZINC000175384016 329165433 /nfs/dbraw/zinc/16/54/33/329165433.db2.gz IIFKZZUHYXQTBP-PRWKNARSSA-N 1 2 293.392 1.057 20 30 CDEDLO C[C@H]1CC[C@@H](CN(CCC#N)CC[NH+]2CCOCC2)O1 ZINC000190628336 329399829 /nfs/dbraw/zinc/39/98/29/329399829.db2.gz YQAWAKOEGKRWTF-GJZGRUSLSA-N 1 2 281.400 1.102 20 30 CDEDLO Cc1[nH+]cc(CN2CC(O)(CC#N)C2)n1-c1ccccc1 ZINC000190980042 329404143 /nfs/dbraw/zinc/40/41/43/329404143.db2.gz KDJMEFKNEODUSC-UHFFFAOYSA-N 1 2 282.347 1.641 20 30 CDEDLO C[C@@H](O)CNc1cc(N2CCC(CC#N)CC2)nc[nH+]1 ZINC000572372150 330016318 /nfs/dbraw/zinc/01/63/18/330016318.db2.gz SBXIBDCJYZFRET-LLVKDONJSA-N 1 2 275.356 1.399 20 30 CDEDLO C[C@@H](O)CNc1cc(N2CCC(CC#N)CC2)[nH+]cn1 ZINC000572372150 330016320 /nfs/dbraw/zinc/01/63/20/330016320.db2.gz SBXIBDCJYZFRET-LLVKDONJSA-N 1 2 275.356 1.399 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cnc(C(C)(C)C)nc2)nn1 ZINC000424176925 330317431 /nfs/dbraw/zinc/31/74/31/330317431.db2.gz ZCMBFLNUFDWPSN-UHFFFAOYSA-N 1 2 286.383 1.841 20 30 CDEDLO C[N@@H+](CCC#N)CCCn1c2ccccc2[nH]c1=O ZINC000533025690 330324753 /nfs/dbraw/zinc/32/47/53/330324753.db2.gz ZBKIEMFWZMZJDE-UHFFFAOYSA-N 1 2 258.325 1.977 20 30 CDEDLO C[N@H+](CCC#N)CCCn1c2ccccc2[nH]c1=O ZINC000533025690 330324754 /nfs/dbraw/zinc/32/47/54/330324754.db2.gz ZBKIEMFWZMZJDE-UHFFFAOYSA-N 1 2 258.325 1.977 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1ccc(COC)cc1 ZINC000516488908 330492994 /nfs/dbraw/zinc/49/29/94/330492994.db2.gz PJDOAAYRHQWPEL-OAHLLOKOSA-N 1 2 289.379 1.731 20 30 CDEDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)CC1(CC#N)CC1 ZINC000451326435 331024553 /nfs/dbraw/zinc/02/45/53/331024553.db2.gz DAKSPXPQUJTJOD-UHFFFAOYSA-N 1 2 296.396 1.229 20 30 CDEDLO C=C(C)CCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000454554251 331148742 /nfs/dbraw/zinc/14/87/42/331148742.db2.gz WJICMRZQEDHPOO-QWHCGFSZSA-N 1 2 269.389 1.361 20 30 CDEDLO C=CC(C)(C)CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000454991991 331158341 /nfs/dbraw/zinc/15/83/41/331158341.db2.gz MVVHSWAEPNXRSX-ZDUSSCGKSA-N 1 2 281.400 1.361 20 30 CDEDLO C=CC(C)(C)CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000454991991 331158342 /nfs/dbraw/zinc/15/83/42/331158342.db2.gz MVVHSWAEPNXRSX-ZDUSSCGKSA-N 1 2 281.400 1.361 20 30 CDEDLO CC#CCN(C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000457795281 331234624 /nfs/dbraw/zinc/23/46/24/331234624.db2.gz PTJYJLXRBYRWMB-UHFFFAOYSA-N 1 2 274.368 1.427 20 30 CDEDLO CCc1ccc([C@@H](C#N)NC(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000489970632 332075168 /nfs/dbraw/zinc/07/51/68/332075168.db2.gz YYDIUUUGQUONPN-CABCVRRESA-N 1 2 287.363 1.260 20 30 CDEDLO CCc1ccc([C@@H](C#N)NC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000489970632 332075169 /nfs/dbraw/zinc/07/51/69/332075169.db2.gz YYDIUUUGQUONPN-CABCVRRESA-N 1 2 287.363 1.260 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCc2ccccc2C1 ZINC000490674397 332102139 /nfs/dbraw/zinc/10/21/39/332102139.db2.gz BENNQTQLIODTQU-UHFFFAOYSA-N 1 2 280.371 1.530 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCc2ccccc2C1 ZINC000490674397 332102140 /nfs/dbraw/zinc/10/21/40/332102140.db2.gz BENNQTQLIODTQU-UHFFFAOYSA-N 1 2 280.371 1.530 20 30 CDEDLO C#CC[NH+]1CCN(CN2CCN(c3ccccc3)C2=O)CC1 ZINC000491348564 332194299 /nfs/dbraw/zinc/19/42/99/332194299.db2.gz DGYFZKVDBQKQIQ-UHFFFAOYSA-N 1 2 298.390 1.137 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccc(C(=O)OCC)cn1 ZINC000491546447 332235613 /nfs/dbraw/zinc/23/56/13/332235613.db2.gz VWQKBQSKYYEEAM-UHFFFAOYSA-N 1 2 256.305 1.327 20 30 CDEDLO C#C[C@H](C)N(C)c1nc(C)[nH+]c(N(C)[C@@H](C)C#C)n1 ZINC000491621815 332246825 /nfs/dbraw/zinc/24/68/25/332246825.db2.gz DMFQVSTWNBARFJ-QWRGUYRKSA-N 1 2 257.341 1.096 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCCOCCCC)C1CC1 ZINC000491644498 332262739 /nfs/dbraw/zinc/26/27/39/332262739.db2.gz KGZMXKNMORHQFT-UHFFFAOYSA-N 1 2 252.358 1.017 20 30 CDEDLO C#CC[N@H+](CC(=O)NCCOCCCC)C1CC1 ZINC000491644498 332262740 /nfs/dbraw/zinc/26/27/40/332262740.db2.gz KGZMXKNMORHQFT-UHFFFAOYSA-N 1 2 252.358 1.017 20 30 CDEDLO C#CCN(C)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000491656038 332268046 /nfs/dbraw/zinc/26/80/46/332268046.db2.gz HOJYHBYMLVMJKZ-TWGQIWQCSA-N 1 2 265.316 1.977 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](O)COc1cc(C)cc(C)c1 ZINC000491664507 332273405 /nfs/dbraw/zinc/27/34/05/332273405.db2.gz HOXAHGNYQCRDIF-CVEARBPZSA-N 1 2 289.375 1.377 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](O)COc1cc(C)cc(C)c1 ZINC000491664507 332273407 /nfs/dbraw/zinc/27/34/07/332273407.db2.gz HOXAHGNYQCRDIF-CVEARBPZSA-N 1 2 289.375 1.377 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCC#CC)CCOC)n1 ZINC000491749928 332326496 /nfs/dbraw/zinc/32/64/96/332326496.db2.gz ZZDXZHQFXKQBQI-UHFFFAOYSA-N 1 2 259.353 1.378 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCC#CC)CCOC)n1 ZINC000491749928 332326497 /nfs/dbraw/zinc/32/64/97/332326497.db2.gz ZZDXZHQFXKQBQI-UHFFFAOYSA-N 1 2 259.353 1.378 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(CCC#N)c1ccc(OCC)cc1 ZINC000491774614 332340708 /nfs/dbraw/zinc/34/07/08/332340708.db2.gz ANATXEPXGRZLNZ-UHFFFAOYSA-N 1 2 299.374 1.897 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N(CCC#N)c1ccc(OCC)cc1 ZINC000491774614 332340709 /nfs/dbraw/zinc/34/07/09/332340709.db2.gz ANATXEPXGRZLNZ-UHFFFAOYSA-N 1 2 299.374 1.897 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)N1CCc2ccccc21 ZINC000491777004 332342346 /nfs/dbraw/zinc/34/23/46/332342346.db2.gz CYUFBWOPXBICFV-HNNXBMFYSA-N 1 2 284.359 1.300 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)N1CCc2ccccc21 ZINC000491777004 332342347 /nfs/dbraw/zinc/34/23/47/332342347.db2.gz CYUFBWOPXBICFV-HNNXBMFYSA-N 1 2 284.359 1.300 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@H](C)CCC#N)n1 ZINC000491810999 332363534 /nfs/dbraw/zinc/36/35/34/332363534.db2.gz AVWKUKDQRGJEAN-CQSZACIVSA-N 1 2 274.368 1.657 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)[C@H](C)CCC#N)n1 ZINC000491810999 332363536 /nfs/dbraw/zinc/36/35/36/332363536.db2.gz AVWKUKDQRGJEAN-CQSZACIVSA-N 1 2 274.368 1.657 20 30 CDEDLO N#CCOc1ccc(/C=C\C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000491838817 332371513 /nfs/dbraw/zinc/37/15/13/332371513.db2.gz OKVDEGBDMHVZKX-UTCJRWHESA-N 1 2 282.303 1.642 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)/C=C\c1[nH+]ccn1CC ZINC000492385239 332395115 /nfs/dbraw/zinc/39/51/15/332395115.db2.gz RFIXGFVUBXXIBM-DGMVEKRQSA-N 1 2 263.341 1.217 20 30 CDEDLO C#CCNC(=O)[C@@H](C)O[NH+]=C(N)c1cccc(Cl)c1 ZINC000178133149 333068296 /nfs/dbraw/zinc/06/82/96/333068296.db2.gz CDXAWZRHNRXWEB-SECBINFHSA-N 1 2 279.727 1.115 20 30 CDEDLO Cc1cccn2cc(CC(=O)N(CC#N)CC#N)[nH+]c12 ZINC000524268907 333358577 /nfs/dbraw/zinc/35/85/77/333358577.db2.gz XGMFYTKWUZXEGR-UHFFFAOYSA-N 1 2 267.292 1.061 20 30 CDEDLO CN1CC[N@H+](C)C[C@@H]1c1noc(C2(C#N)CCCC2)n1 ZINC000547208904 334073215 /nfs/dbraw/zinc/07/32/15/334073215.db2.gz HTZKEDRILSLBHI-LLVKDONJSA-N 1 2 275.356 1.323 20 30 CDEDLO CN1CC[N@@H+](C)C[C@@H]1c1noc(C2(C#N)CCCC2)n1 ZINC000547208904 334073217 /nfs/dbraw/zinc/07/32/17/334073217.db2.gz HTZKEDRILSLBHI-LLVKDONJSA-N 1 2 275.356 1.323 20 30 CDEDLO C=CC1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000547630328 334104306 /nfs/dbraw/zinc/10/43/06/334104306.db2.gz PFGWSFPKFASGBD-ZDUSSCGKSA-N 1 2 274.368 1.806 20 30 CDEDLO N#CCC(=O)N1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000564736475 334518598 /nfs/dbraw/zinc/51/85/98/334518598.db2.gz PIFJXACZOUFPSU-LSDHHAIUSA-N 1 2 287.338 1.739 20 30 CDEDLO CC(C)n1nccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000567617318 334740970 /nfs/dbraw/zinc/74/09/70/334740970.db2.gz GENFWPKWKRDWTK-CYBMUJFWSA-N 1 2 263.345 1.038 20 30 CDEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)sc1C ZINC000578940422 335691211 /nfs/dbraw/zinc/69/12/11/335691211.db2.gz BJQNYJCMWJIWBZ-ZDUSSCGKSA-N 1 2 265.382 1.939 20 30 CDEDLO C[C@@H](C#N)CNC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001649286881 1160094598 /nfs/dbraw/zinc/09/45/98/1160094598.db2.gz ACAFSPGQDJXYQI-NSHDSACASA-N 1 2 275.356 1.469 20 30 CDEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000677046777 482517709 /nfs/dbraw/zinc/51/77/09/482517709.db2.gz JALMLOAGQNSCNP-CYBMUJFWSA-N 1 2 250.386 1.979 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000665722185 482576364 /nfs/dbraw/zinc/57/63/64/482576364.db2.gz ODRPBOPWXDDRPF-UTUOFQBUSA-N 1 2 278.356 1.415 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000665722185 482576367 /nfs/dbraw/zinc/57/63/67/482576367.db2.gz ODRPBOPWXDDRPF-UTUOFQBUSA-N 1 2 278.356 1.415 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1ccc(OC)nc1 ZINC000676721796 483576603 /nfs/dbraw/zinc/57/66/03/483576603.db2.gz ZGWXWIRTKTWYNO-UHFFFAOYSA-N 1 2 289.379 1.723 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1ccc(OC)nc1 ZINC000676721796 483576609 /nfs/dbraw/zinc/57/66/09/483576609.db2.gz ZGWXWIRTKTWYNO-UHFFFAOYSA-N 1 2 289.379 1.723 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](F)C(C)C ZINC001731781623 1182572027 /nfs/dbraw/zinc/57/20/27/1182572027.db2.gz ZPYNKGDMCBGSTG-JTQLQIEISA-N 1 2 250.745 1.781 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](F)C(C)C ZINC001731781623 1182572029 /nfs/dbraw/zinc/57/20/29/1182572029.db2.gz ZPYNKGDMCBGSTG-JTQLQIEISA-N 1 2 250.745 1.781 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(CC)[nH]n1 ZINC001085490289 1161943421 /nfs/dbraw/zinc/94/34/21/1161943421.db2.gz UGVMWVMVADFLBK-CYBMUJFWSA-N 1 2 276.384 1.695 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(CC)[nH]n1 ZINC001085490289 1161943424 /nfs/dbraw/zinc/94/34/24/1161943424.db2.gz UGVMWVMVADFLBK-CYBMUJFWSA-N 1 2 276.384 1.695 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1[nH]cnc1C ZINC001753076421 1185043359 /nfs/dbraw/zinc/04/33/59/1185043359.db2.gz HFXKTLGPZCPMAK-UHFFFAOYSA-N 1 2 256.737 1.132 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1[nH]cnc1C ZINC001753076421 1185043364 /nfs/dbraw/zinc/04/33/64/1185043364.db2.gz HFXKTLGPZCPMAK-UHFFFAOYSA-N 1 2 256.737 1.132 20 30 CDEDLO C=CC(C)(C)CC(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001112893334 1162055933 /nfs/dbraw/zinc/05/59/33/1162055933.db2.gz CXMHHYZTYHSLLH-UHFFFAOYSA-N 1 2 290.411 1.667 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](CCNC(=O)C(F)C(F)(F)F)C1 ZINC001753332960 1185160125 /nfs/dbraw/zinc/16/01/25/1185160125.db2.gz ZARTWFWSXQGQDZ-GHMZBOCLSA-N 1 2 294.292 1.738 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](CCNC(=O)C(F)C(F)(F)F)C1 ZINC001753332960 1185160126 /nfs/dbraw/zinc/16/01/26/1185160126.db2.gz ZARTWFWSXQGQDZ-GHMZBOCLSA-N 1 2 294.292 1.738 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001753332960 1185160127 /nfs/dbraw/zinc/16/01/27/1185160127.db2.gz ZARTWFWSXQGQDZ-GHMZBOCLSA-N 1 2 294.292 1.738 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001753332960 1185160128 /nfs/dbraw/zinc/16/01/28/1185160128.db2.gz ZARTWFWSXQGQDZ-GHMZBOCLSA-N 1 2 294.292 1.738 20 30 CDEDLO N#C[C@H]1N(CCn2cc[nH+]c2)CCC[C@]12CCCCO2 ZINC000375918968 518196428 /nfs/dbraw/zinc/19/64/28/518196428.db2.gz YDKYURAGZSWKKL-HUUCEWRRSA-N 1 2 274.368 1.810 20 30 CDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000049443125 518249512 /nfs/dbraw/zinc/24/95/12/518249512.db2.gz QERWLROTXFTTOP-UHFFFAOYSA-N 1 2 296.367 1.155 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@H](C)c1csc(CC)n1 ZINC000184684117 518894858 /nfs/dbraw/zinc/89/48/58/518894858.db2.gz MLWCHALUVUTWKV-SECBINFHSA-N 1 2 253.371 1.658 20 30 CDEDLO C=CCCC(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000263977984 534605866 /nfs/dbraw/zinc/60/58/66/534605866.db2.gz JOGQIROAVAOQND-UHFFFAOYSA-N 1 2 277.368 1.902 20 30 CDEDLO CN(C)c1[nH+]cccc1NC(=O)CSCC#N ZINC000049316035 522374960 /nfs/dbraw/zinc/37/49/60/522374960.db2.gz DGSSXQHASKDELP-UHFFFAOYSA-N 1 2 250.327 1.343 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000339434791 523590804 /nfs/dbraw/zinc/59/08/04/523590804.db2.gz OLUPLXAXGXJCAR-UHFFFAOYSA-N 1 2 294.358 1.982 20 30 CDEDLO Cc1nnccc1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000330121349 534872923 /nfs/dbraw/zinc/87/29/23/534872923.db2.gz JNKAEHGGOOHWOW-NSHDSACASA-N 1 2 286.339 1.554 20 30 CDEDLO C=CC[N@H+](Cc1ccccc1)[C@H](C(=O)OC)[C@@H](C)O ZINC000351969262 526357864 /nfs/dbraw/zinc/35/78/64/526357864.db2.gz VGPVEZGFRVDWHH-OCCSQVGLSA-N 1 2 263.337 1.597 20 30 CDEDLO C=CC[N@@H+](Cc1ccccc1)[C@H](C(=O)OC)[C@@H](C)O ZINC000351969262 526357871 /nfs/dbraw/zinc/35/78/71/526357871.db2.gz VGPVEZGFRVDWHH-OCCSQVGLSA-N 1 2 263.337 1.597 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)ccc1F ZINC000364780922 526549955 /nfs/dbraw/zinc/54/99/55/526549955.db2.gz RZGUYNWUSGZRDQ-OAHLLOKOSA-N 1 2 289.310 1.772 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)ccc1F ZINC000364780922 526549959 /nfs/dbraw/zinc/54/99/59/526549959.db2.gz RZGUYNWUSGZRDQ-OAHLLOKOSA-N 1 2 289.310 1.772 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000336428384 526679423 /nfs/dbraw/zinc/67/94/23/526679423.db2.gz ZSESOGWUASQJOT-LLVKDONJSA-N 1 2 269.370 1.115 20 30 CDEDLO CC(C)CCOCCNC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352491221 527751232 /nfs/dbraw/zinc/75/12/32/527751232.db2.gz OPCFXBZUMGCOEM-UHFFFAOYSA-N 1 2 299.390 1.493 20 30 CDEDLO Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3C#N)C2=O)cn1 ZINC000329615645 538595103 /nfs/dbraw/zinc/59/51/03/538595103.db2.gz SHBVLTWWIJTUSN-YUTCNCBUSA-N 1 2 287.367 1.197 20 30 CDEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CSCC#N ZINC000727493134 574586413 /nfs/dbraw/zinc/58/64/13/574586413.db2.gz HDWOIZFVIPZMHU-NSHDSACASA-N 1 2 280.397 1.671 20 30 CDEDLO COc1ccc(O)c(/C=N\CC[N@@H+]2CCO[C@H](C)C2)c1 ZINC000750950600 574624097 /nfs/dbraw/zinc/62/40/97/574624097.db2.gz XLHZYWAYDIMANA-YUSFRKCESA-N 1 2 278.352 1.540 20 30 CDEDLO COc1ccc(O)c(/C=N\CC[N@H+]2CCO[C@H](C)C2)c1 ZINC000750950600 574624100 /nfs/dbraw/zinc/62/41/00/574624100.db2.gz XLHZYWAYDIMANA-YUSFRKCESA-N 1 2 278.352 1.540 20 30 CDEDLO C#CCNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000729575534 574816681 /nfs/dbraw/zinc/81/66/81/574816681.db2.gz KEPRQIPIDGXSLO-CYBMUJFWSA-N 1 2 287.363 1.835 20 30 CDEDLO C=C(Br)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000731870992 575067238 /nfs/dbraw/zinc/06/72/38/575067238.db2.gz BTYXFAZWZXYQNS-VIFPVBQESA-N 1 2 261.163 1.496 20 30 CDEDLO C=C(Br)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000731870992 575067240 /nfs/dbraw/zinc/06/72/40/575067240.db2.gz BTYXFAZWZXYQNS-VIFPVBQESA-N 1 2 261.163 1.496 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000761044394 576537317 /nfs/dbraw/zinc/53/73/17/576537317.db2.gz KBTJAJVYXYNQDR-PWSUYJOCSA-N 1 2 289.301 1.679 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000761044394 576537320 /nfs/dbraw/zinc/53/73/20/576537320.db2.gz KBTJAJVYXYNQDR-PWSUYJOCSA-N 1 2 289.301 1.679 20 30 CDEDLO Cn1c[nH+]cc1C=NN1CCc2ccccc2C1=O ZINC000769597178 575362933 /nfs/dbraw/zinc/36/29/33/575362933.db2.gz FGAOZDYKPIBTHO-UHFFFAOYSA-N 1 2 254.293 1.453 20 30 CDEDLO COc1cc(C)nc(N=NCc2cccc3[nH+]ccn32)n1 ZINC000771101251 575548440 /nfs/dbraw/zinc/54/84/40/575548440.db2.gz RGWOTDUNCLMFRN-UHFFFAOYSA-N 1 2 282.307 1.887 20 30 CDEDLO C=CC[N@H+](CN1C(=O)c2ccccc2C1=O)C1CC1 ZINC000771640249 575599713 /nfs/dbraw/zinc/59/97/13/575599713.db2.gz FGIUHJWORJUQSI-UHFFFAOYSA-N 1 2 256.305 1.891 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)c2ccccc2C1=O)C1CC1 ZINC000771640249 575599714 /nfs/dbraw/zinc/59/97/14/575599714.db2.gz FGIUHJWORJUQSI-UHFFFAOYSA-N 1 2 256.305 1.891 20 30 CDEDLO C#C[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000773557509 575825234 /nfs/dbraw/zinc/82/52/34/575825234.db2.gz LEYQWJIHQPAOFG-ZIAGYGMSSA-N 1 2 290.367 1.095 20 30 CDEDLO C#C[C@@H](C)N(C)c1nc(N(C)[C@H](C)C#C)c(C)c[nH+]1 ZINC000767439544 576193576 /nfs/dbraw/zinc/19/35/76/576193576.db2.gz JUFHMXSXTSNYPJ-CHWSQXEVSA-N 1 2 256.353 1.701 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(O)c(F)c2)CC1 ZINC000767931543 576240119 /nfs/dbraw/zinc/24/01/19/576240119.db2.gz NDNHMXFFHKAZJQ-UHFFFAOYSA-N 1 2 276.311 1.312 20 30 CDEDLO C#CCCO[NH+]=C(N)COc1cccc(C(=O)OC)c1 ZINC000760363050 576480633 /nfs/dbraw/zinc/48/06/33/576480633.db2.gz YOHIGISMLPIDMR-UHFFFAOYSA-N 1 2 276.292 1.374 20 30 CDEDLO CC(C)(C#N)C(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000740715572 576508668 /nfs/dbraw/zinc/50/86/68/576508668.db2.gz NPEGDWMOQVVXCR-UHFFFAOYSA-N 1 2 294.424 1.562 20 30 CDEDLO N#CCOc1cc(F)ccc1NC(=O)CCn1cc[nH+]c1 ZINC000760785735 576509372 /nfs/dbraw/zinc/50/93/72/576509372.db2.gz GIOJNHJSSZHONH-UHFFFAOYSA-N 1 2 288.282 1.953 20 30 CDEDLO Cc1ncc(CO)c(/C=N\Cc2ccn3cc[nH+]c3c2)c1O ZINC000761785894 576593580 /nfs/dbraw/zinc/59/35/80/576593580.db2.gz LOLBKOZMZZQZKI-MFOYZWKCSA-N 1 2 296.330 1.855 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)[C@H](C)c2ccc(C)o2)CC1 ZINC000742670029 576611623 /nfs/dbraw/zinc/61/16/23/576611623.db2.gz DQXDVRRQOLLCTR-CYBMUJFWSA-N 1 2 260.337 1.469 20 30 CDEDLO C#CCCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000742787243 576617150 /nfs/dbraw/zinc/61/71/50/576617150.db2.gz OGXYIIUBCRYYRF-UHFFFAOYSA-N 1 2 255.321 1.715 20 30 CDEDLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C)C(=O)N(C)CCC#N ZINC000745085515 576714474 /nfs/dbraw/zinc/71/44/74/576714474.db2.gz FTOFLQMWBFNLOW-OLZOCXBDSA-N 1 2 295.383 1.165 20 30 CDEDLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@H](C)C(=O)N(C)CCC#N ZINC000745085515 576714477 /nfs/dbraw/zinc/71/44/77/576714477.db2.gz FTOFLQMWBFNLOW-OLZOCXBDSA-N 1 2 295.383 1.165 20 30 CDEDLO N#CC1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000747102961 576859068 /nfs/dbraw/zinc/85/90/68/576859068.db2.gz FYVYKWKUAHRLHZ-UHFFFAOYSA-N 1 2 298.390 1.947 20 30 CDEDLO CN(C)c1ccc(CNC(=O)C#Cc2ccccc2)c[nH+]1 ZINC000747206343 576862742 /nfs/dbraw/zinc/86/27/42/576862742.db2.gz OPOGYZTWSXNONC-UHFFFAOYSA-N 1 2 279.343 1.816 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]Nc1ccc(C)cc1 ZINC000747624047 576877225 /nfs/dbraw/zinc/87/72/25/576877225.db2.gz HVVNGTHXAVROPH-UHFFFAOYSA-N 1 2 257.297 1.822 20 30 CDEDLO Cn1c[nH+]cc1C=NN=c1sc2ccccc2n1C ZINC000755481645 576946352 /nfs/dbraw/zinc/94/63/52/576946352.db2.gz NEKIIBCIVNIFHQ-UHFFFAOYSA-N 1 2 271.349 1.908 20 30 CDEDLO COc1ccnc(N=NCc2c[nH+]c3ccccn23)n1 ZINC000755639447 576953223 /nfs/dbraw/zinc/95/32/23/576953223.db2.gz HCGMPGPZEMOFEO-UHFFFAOYSA-N 1 2 268.280 1.579 20 30 CDEDLO CC(C)C[N@H+](CCC#N)CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000755669910 576954612 /nfs/dbraw/zinc/95/46/12/576954612.db2.gz IHUYIRHXPAQLPW-KBPBESRZSA-N 1 2 281.400 1.494 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000755669910 576954614 /nfs/dbraw/zinc/95/46/14/576954614.db2.gz IHUYIRHXPAQLPW-KBPBESRZSA-N 1 2 281.400 1.494 20 30 CDEDLO Cc1ccc2[nH+]cc(C=NN=c3cc[nH]c(N(C)C)n3)n2c1 ZINC000755734869 576958104 /nfs/dbraw/zinc/95/81/04/576958104.db2.gz ZHSKGXAVUHYOIA-UHFFFAOYSA-N 1 2 295.350 1.945 20 30 CDEDLO COc1ccc(N=NCc2c[nH]c[nH+]2)c([N+](=O)[O-])c1 ZINC000755802733 576961985 /nfs/dbraw/zinc/96/19/85/576961985.db2.gz OPQCMMPEICVBKB-UHFFFAOYSA-N 1 2 261.241 1.773 20 30 CDEDLO CC1(C)CCCC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000749858956 576966493 /nfs/dbraw/zinc/96/64/93/576966493.db2.gz PLBHXYMSMYOYPH-UHFFFAOYSA-N 1 2 298.456 1.349 20 30 CDEDLO CN(CC[NH+]1CCOCC1)c1nc2ccccc2cc1C#N ZINC000750027118 576972541 /nfs/dbraw/zinc/97/25/41/576972541.db2.gz MWMGBRCBYYSCIF-UHFFFAOYSA-N 1 2 296.374 1.875 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C2CC2)n(CC)n1 ZINC000750141351 576978049 /nfs/dbraw/zinc/97/80/49/576978049.db2.gz AXPGOMJSMGGZFM-ZDUSSCGKSA-N 1 2 286.379 1.817 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C2CC2)n(CC)n1 ZINC000750141351 576978051 /nfs/dbraw/zinc/97/80/51/576978051.db2.gz AXPGOMJSMGGZFM-ZDUSSCGKSA-N 1 2 286.379 1.817 20 30 CDEDLO Cn1cc(Cl)cc1C[N@H+](C)CC(=O)NCCC#N ZINC000757840596 577057068 /nfs/dbraw/zinc/05/70/68/577057068.db2.gz OUGYKFVCSOUKTF-UHFFFAOYSA-N 1 2 268.748 1.140 20 30 CDEDLO Cn1cc(Cl)cc1C[N@@H+](C)CC(=O)NCCC#N ZINC000757840596 577057071 /nfs/dbraw/zinc/05/70/71/577057071.db2.gz OUGYKFVCSOUKTF-UHFFFAOYSA-N 1 2 268.748 1.140 20 30 CDEDLO COc1ccc(C[N@H+](C)Cn2cccc(C#N)c2=O)cc1 ZINC000758180738 577077693 /nfs/dbraw/zinc/07/76/93/577077693.db2.gz GLGALDNJUAICBW-UHFFFAOYSA-N 1 2 283.331 1.818 20 30 CDEDLO COc1ccc(C[N@@H+](C)Cn2cccc(C#N)c2=O)cc1 ZINC000758180738 577077695 /nfs/dbraw/zinc/07/76/95/577077695.db2.gz GLGALDNJUAICBW-UHFFFAOYSA-N 1 2 283.331 1.818 20 30 CDEDLO CCOC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758197289 577080747 /nfs/dbraw/zinc/08/07/47/577080747.db2.gz HHWXYYYXXPQAGP-UHFFFAOYSA-N 1 2 261.325 1.178 20 30 CDEDLO CC(C)(C)OC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758237959 577088326 /nfs/dbraw/zinc/08/83/26/577088326.db2.gz RRQSFXKLSODLHA-UHFFFAOYSA-N 1 2 289.379 1.957 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)nc1 ZINC000753183167 577151722 /nfs/dbraw/zinc/15/17/22/577151722.db2.gz NZEBFXYILREWIF-CQSZACIVSA-N 1 2 292.342 1.467 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000822806442 599385127 /nfs/dbraw/zinc/38/51/27/599385127.db2.gz MUJUCYQLMWSKCB-SNVBAGLBSA-N 1 2 299.313 1.539 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000820219179 607087063 /nfs/dbraw/zinc/08/70/63/607087063.db2.gz CZQQRSOCALQAQQ-VIFPVBQESA-N 1 2 274.303 1.740 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000820219179 607087064 /nfs/dbraw/zinc/08/70/64/607087064.db2.gz CZQQRSOCALQAQQ-VIFPVBQESA-N 1 2 274.303 1.740 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(OC)nc2)C1 ZINC000950818802 612992223 /nfs/dbraw/zinc/99/22/23/612992223.db2.gz YXXYKKOVFZTQSS-UHFFFAOYSA-N 1 2 287.363 1.260 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2occ3c2CCC3)C1 ZINC000950991914 612993233 /nfs/dbraw/zinc/99/32/33/612993233.db2.gz IGFMKAAVKCPAKP-UHFFFAOYSA-N 1 2 286.375 1.938 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc3ccncc3n2)CC1 ZINC000949333242 613010948 /nfs/dbraw/zinc/01/09/48/613010948.db2.gz RJCCNSXLFLPXMU-UHFFFAOYSA-N 1 2 294.358 1.411 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2n[nH]c(CC)c2Cl)CC1 ZINC000981350125 613160696 /nfs/dbraw/zinc/16/06/96/613160696.db2.gz GURGRWFXBBXSPP-UHFFFAOYSA-N 1 2 294.786 1.407 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2n[nH]c(CC)c2Cl)CC1 ZINC000981350125 613160697 /nfs/dbraw/zinc/16/06/97/613160697.db2.gz GURGRWFXBBXSPP-UHFFFAOYSA-N 1 2 294.786 1.407 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC(C)(C)C)C2)C1 ZINC000972250038 613212418 /nfs/dbraw/zinc/21/24/18/613212418.db2.gz SPBJRHUHVXYOMC-MRXNPFEDSA-N 1 2 278.396 1.359 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CC(C)(C)C)C2)C1 ZINC000972250038 613212419 /nfs/dbraw/zinc/21/24/19/613212419.db2.gz SPBJRHUHVXYOMC-MRXNPFEDSA-N 1 2 278.396 1.359 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@](C)(C=C)CC)C2)C1 ZINC000972532305 613213131 /nfs/dbraw/zinc/21/31/31/613213131.db2.gz PWEQZLMKTFJMHW-IAGOWNOFSA-N 1 2 290.407 1.525 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@](C)(C=C)CC)C2)C1 ZINC000972532305 613213133 /nfs/dbraw/zinc/21/31/33/613213133.db2.gz PWEQZLMKTFJMHW-IAGOWNOFSA-N 1 2 290.407 1.525 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnc(CC)s2)C1 ZINC000968687799 613221329 /nfs/dbraw/zinc/22/13/29/613221329.db2.gz HDPPZXSPTILJMH-VXGBXAGGSA-N 1 2 291.420 1.779 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnc(CC)s2)C1 ZINC000968687799 613221332 /nfs/dbraw/zinc/22/13/32/613221332.db2.gz HDPPZXSPTILJMH-VXGBXAGGSA-N 1 2 291.420 1.779 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2ccc3[nH]nnc3c2)C[C@H]1C ZINC000948026737 613270002 /nfs/dbraw/zinc/27/00/02/613270002.db2.gz SWXHQFYOFLRVFH-YPMHNXCESA-N 1 2 297.362 1.174 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3[nH]nnc3c2)C[C@H]1C ZINC000948026737 613270004 /nfs/dbraw/zinc/27/00/04/613270004.db2.gz SWXHQFYOFLRVFH-YPMHNXCESA-N 1 2 297.362 1.174 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2nccs2)C(C)(C)C1 ZINC000977388806 613301994 /nfs/dbraw/zinc/30/19/94/613301994.db2.gz NANHXSMEGAKVIB-JTQLQIEISA-N 1 2 263.366 1.217 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2nccs2)C(C)(C)C1 ZINC000977388806 613301995 /nfs/dbraw/zinc/30/19/95/613301995.db2.gz NANHXSMEGAKVIB-JTQLQIEISA-N 1 2 263.366 1.217 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3[nH]ncc3F)C[C@@H]2C1 ZINC000980149601 613307056 /nfs/dbraw/zinc/30/70/56/613307056.db2.gz PSZYLKFMOCCGQX-TUAOUCFPSA-N 1 2 290.342 1.012 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3[nH]ncc3F)C[C@@H]2C1 ZINC000980149601 613307058 /nfs/dbraw/zinc/30/70/58/613307058.db2.gz PSZYLKFMOCCGQX-TUAOUCFPSA-N 1 2 290.342 1.012 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@]2(C)CCCOC2)CC1 ZINC000952444971 613318568 /nfs/dbraw/zinc/31/85/68/613318568.db2.gz IYFBBTSJFUPOES-HNNXBMFYSA-N 1 2 266.385 1.523 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2c(C)nn3cccnc23)CC1 ZINC000957690067 613319955 /nfs/dbraw/zinc/31/99/55/613319955.db2.gz PRLSJJFFXWELNV-UHFFFAOYSA-N 1 2 299.378 1.372 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(C)nn2C)C1 ZINC000969365560 613372372 /nfs/dbraw/zinc/37/23/72/613372372.db2.gz LHTYTLRJOBQAQX-NSHDSACASA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2c(C)ncn2C)C1 ZINC000969895740 613372424 /nfs/dbraw/zinc/37/24/24/613372424.db2.gz IQMXGZPMHZOHGC-JTQLQIEISA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCOC2)C(C)(C)C1 ZINC000972844386 613379817 /nfs/dbraw/zinc/37/98/17/613379817.db2.gz POPLAZMCYWVLED-VXGBXAGGSA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCOC2)C(C)(C)C1 ZINC000972844386 613379818 /nfs/dbraw/zinc/37/98/18/613379818.db2.gz POPLAZMCYWVLED-VXGBXAGGSA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cnn(C)c2)C(C)(C)C1 ZINC000972800084 613381088 /nfs/dbraw/zinc/38/10/88/613381088.db2.gz RYCFTUNFGNMNSB-LBPRGKRZSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cnn(C)c2)C(C)(C)C1 ZINC000972800084 613381089 /nfs/dbraw/zinc/38/10/89/613381089.db2.gz RYCFTUNFGNMNSB-LBPRGKRZSA-N 1 2 296.802 1.613 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CC2CC(F)(F)C2)CC1 ZINC000948931674 613561727 /nfs/dbraw/zinc/56/17/27/613561727.db2.gz BBWSEIUVOGVTFM-UHFFFAOYSA-N 1 2 270.323 1.589 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2CCC[C@H](OC)C2)CC1 ZINC000948694953 613562707 /nfs/dbraw/zinc/56/27/07/613562707.db2.gz XQKWKYONMHIRKI-CVEARBPZSA-N 1 2 292.423 1.749 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2c(C)cc(C)[nH]c2=O)CC1 ZINC000949548419 613566851 /nfs/dbraw/zinc/56/68/51/613566851.db2.gz MTRLEOAJKODGLJ-UHFFFAOYSA-N 1 2 287.363 1.185 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCC3CC3)C2)C1 ZINC000972305212 613570754 /nfs/dbraw/zinc/57/07/54/613570754.db2.gz PYGLGEAVXDMSSS-QGZVFWFLSA-N 1 2 290.407 1.503 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCC3CC3)C2)C1 ZINC000972305212 613570755 /nfs/dbraw/zinc/57/07/55/613570755.db2.gz PYGLGEAVXDMSSS-QGZVFWFLSA-N 1 2 290.407 1.503 20 30 CDEDLO N#CCSCCC[N@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933326888 617393240 /nfs/dbraw/zinc/39/32/40/617393240.db2.gz MXMLHNVADGVJDX-CQSZACIVSA-N 1 2 289.404 1.806 20 30 CDEDLO N#CCSCCC[N@@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933326888 617393242 /nfs/dbraw/zinc/39/32/42/617393242.db2.gz MXMLHNVADGVJDX-CQSZACIVSA-N 1 2 289.404 1.806 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCO[C@H](C)C2)C1 ZINC000957046810 613654323 /nfs/dbraw/zinc/65/43/23/613654323.db2.gz ZBIRNGXQXQNCCC-CHWSQXEVSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CC[NH+]1CC([C@H](C)NC(=O)c2[nH]nc3c2CCC3)C1 ZINC000970036555 613673927 /nfs/dbraw/zinc/67/39/27/613673927.db2.gz AYNPWOPQTDZFHU-JTQLQIEISA-N 1 2 274.368 1.135 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2CCC(NC(C)=O)CC2)CC1 ZINC000957917961 613707560 /nfs/dbraw/zinc/70/75/60/613707560.db2.gz NUIKWNMDOWWKKX-UHFFFAOYSA-N 1 2 293.411 1.012 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2OCc3ccccc32)CC1 ZINC000957495202 613708928 /nfs/dbraw/zinc/70/89/28/613708928.db2.gz OMGFFSXPDAGZCS-INIZCTEOSA-N 1 2 286.375 1.978 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCO[C@H](CCC)C2)CC1 ZINC000952435462 613713245 /nfs/dbraw/zinc/71/32/45/613713245.db2.gz KHBMFIHAPONRNH-LSDHHAIUSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2n[nH]nc2-c2ccccc2)CC1 ZINC000957805369 613714075 /nfs/dbraw/zinc/71/40/75/613714075.db2.gz RTEXCFPLISOACR-UHFFFAOYSA-N 1 2 297.362 1.416 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C(F)F)n[nH]2)CC1 ZINC000950433549 613714652 /nfs/dbraw/zinc/71/46/52/613714652.db2.gz KOOGUSSRGNTETG-UHFFFAOYSA-N 1 2 270.283 1.291 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccn3c2CCCC3)CC1 ZINC000948816183 613717368 /nfs/dbraw/zinc/71/73/68/613717368.db2.gz ZMVJUAJJCNJIPT-UHFFFAOYSA-N 1 2 273.380 1.768 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cn(CCCC)nc2C)CC1 ZINC000957125641 613718086 /nfs/dbraw/zinc/71/80/86/613718086.db2.gz YGIXDEGLICUMTO-UHFFFAOYSA-N 1 2 290.411 1.935 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(F)F)C2)C1 ZINC000972216174 613722667 /nfs/dbraw/zinc/72/26/67/613722667.db2.gz UOUGZURREDSMFS-ZDUSSCGKSA-N 1 2 274.311 1.131 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(F)F)C2)C1 ZINC000972216174 613722671 /nfs/dbraw/zinc/72/26/71/613722671.db2.gz UOUGZURREDSMFS-ZDUSSCGKSA-N 1 2 274.311 1.131 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@]34C[C@H]3CCC4)C2)C1 ZINC000972472312 613726250 /nfs/dbraw/zinc/72/62/50/613726250.db2.gz VJPLSUZXGZKTNK-DJIMGWMZSA-N 1 2 290.407 1.666 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@]34C[C@H]3CCC4)C2)C1 ZINC000972472312 613726254 /nfs/dbraw/zinc/72/62/54/613726254.db2.gz VJPLSUZXGZKTNK-DJIMGWMZSA-N 1 2 290.407 1.666 20 30 CDEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cn[nH]n1 ZINC000948935305 613805443 /nfs/dbraw/zinc/80/54/43/613805443.db2.gz FEEGUSHVBKPINE-HNNXBMFYSA-N 1 2 297.362 1.320 20 30 CDEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cn[nH]n1 ZINC000948935305 613805447 /nfs/dbraw/zinc/80/54/47/613805447.db2.gz FEEGUSHVBKPINE-HNNXBMFYSA-N 1 2 297.362 1.320 20 30 CDEDLO CNc1cc(N2CCO[C@H](c3cccc(C#N)c3)C2)nc[nH+]1 ZINC000893031912 618073179 /nfs/dbraw/zinc/07/31/79/618073179.db2.gz YXJJTTPZHIINHK-AWEZNQCLSA-N 1 2 295.346 1.968 20 30 CDEDLO CNc1cc(N2CCO[C@H](c3cccc(C#N)c3)C2)[nH+]cn1 ZINC000893031912 618073189 /nfs/dbraw/zinc/07/31/89/618073189.db2.gz YXJJTTPZHIINHK-AWEZNQCLSA-N 1 2 295.346 1.968 20 30 CDEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2csc(C#N)c2)C1 ZINC000893438305 617885832 /nfs/dbraw/zinc/88/58/32/617885832.db2.gz YZAYCNWHEVVAAC-GFCCVEGCSA-N 1 2 299.421 1.133 20 30 CDEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000893438305 617885838 /nfs/dbraw/zinc/88/58/38/617885838.db2.gz YZAYCNWHEVVAAC-GFCCVEGCSA-N 1 2 299.421 1.133 20 30 CDEDLO CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000932149127 617950260 /nfs/dbraw/zinc/95/02/60/617950260.db2.gz WJSXAGNZNOYLTC-ZDUSSCGKSA-N 1 2 257.337 1.782 20 30 CDEDLO CNC(=O)c1ccc(C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000932149127 617950281 /nfs/dbraw/zinc/95/02/81/617950281.db2.gz WJSXAGNZNOYLTC-ZDUSSCGKSA-N 1 2 257.337 1.782 20 30 CDEDLO COC(=O)COc1ccccc1C[NH2+]C[C@@H](C)C#N ZINC000893544925 618089631 /nfs/dbraw/zinc/08/96/31/618089631.db2.gz PIXXGGZBJZNZCR-NSHDSACASA-N 1 2 262.309 1.488 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)c1ccccc1OCC#N ZINC000811588343 618444725 /nfs/dbraw/zinc/44/47/25/618444725.db2.gz GNWNGWXUSBVSJS-UHFFFAOYSA-N 1 2 270.292 1.252 20 30 CDEDLO COc1cc(C)nc(N=NC(C)c2ccc(N)[nH+]c2)n1 ZINC000814863007 618728174 /nfs/dbraw/zinc/72/81/74/618728174.db2.gz VDEGSHCQQXCPIZ-UHFFFAOYSA-N 1 2 272.312 1.607 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cnc(F)cc2C)nn1 ZINC000895005767 619191655 /nfs/dbraw/zinc/19/16/55/619191655.db2.gz HOLFLBMAFJTUNA-UHFFFAOYSA-N 1 2 261.304 1.596 20 30 CDEDLO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@H]2CCCN(O)C2=O)o1 ZINC000895165476 619393507 /nfs/dbraw/zinc/39/35/07/619393507.db2.gz LCVUASTUUWOKCM-JLLWLGSASA-N 1 2 264.325 1.873 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)Nc1cc(C#N)nc(C)n1 ZINC000895801622 619852050 /nfs/dbraw/zinc/85/20/50/619852050.db2.gz RJFJZDUPJNPDBS-GFCCVEGCSA-N 1 2 275.356 1.179 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)Nc1nnc(C)c(C)c1C#N ZINC000895802955 619852404 /nfs/dbraw/zinc/85/24/04/619852404.db2.gz ZYSGXHGMSUCEEX-ZDUSSCGKSA-N 1 2 289.383 1.488 20 30 CDEDLO C#CCSCC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000895950606 619918810 /nfs/dbraw/zinc/91/88/10/619918810.db2.gz DWZFAIKHKYIDKC-UHFFFAOYSA-N 1 2 274.389 1.485 20 30 CDEDLO C#C[C@H](CC)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897555332 620989370 /nfs/dbraw/zinc/98/93/70/620989370.db2.gz PUGFJBUCNQOWAM-MFKMUULPSA-N 1 2 260.341 1.318 20 30 CDEDLO C#C[C@H](CC)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000897555332 620989376 /nfs/dbraw/zinc/98/93/76/620989376.db2.gz PUGFJBUCNQOWAM-MFKMUULPSA-N 1 2 260.341 1.318 20 30 CDEDLO C#C[C@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(C)(C)C ZINC000897774378 621103473 /nfs/dbraw/zinc/10/34/73/621103473.db2.gz FCMLQLZEUNZQLF-KBPBESRZSA-N 1 2 288.395 1.954 20 30 CDEDLO C#C[C@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(C)(C)C ZINC000897774378 621103475 /nfs/dbraw/zinc/10/34/75/621103475.db2.gz FCMLQLZEUNZQLF-KBPBESRZSA-N 1 2 288.395 1.954 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC=C(Cl)C1 ZINC000898192909 621388045 /nfs/dbraw/zinc/38/80/45/621388045.db2.gz DBBMUHVFZWXTAX-LBPRGKRZSA-N 1 2 252.745 1.439 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC=C(Cl)C1 ZINC000898192909 621388049 /nfs/dbraw/zinc/38/80/49/621388049.db2.gz DBBMUHVFZWXTAX-LBPRGKRZSA-N 1 2 252.745 1.439 20 30 CDEDLO C#CC1(O)CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000899122051 622054562 /nfs/dbraw/zinc/05/45/62/622054562.db2.gz MDKAWCQVUYWFHH-CQSZACIVSA-N 1 2 289.379 1.457 20 30 CDEDLO C/N=C1/NC(=O)/C(=C/c2c[nH+]cn2C(C)C)S1 ZINC000901541196 624326880 /nfs/dbraw/zinc/32/68/80/624326880.db2.gz QEEJWWYZQBRSRI-WTKPLQERSA-N 1 2 250.327 1.654 20 30 CDEDLO C#CCNC(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000026879502 627095724 /nfs/dbraw/zinc/09/57/24/627095724.db2.gz RCSVTYKWODJTBX-QGZVFWFLSA-N 1 2 279.343 1.510 20 30 CDEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC000908657108 628318274 /nfs/dbraw/zinc/31/82/74/628318274.db2.gz HCLLFSWZDKIQFX-CYBMUJFWSA-N 1 2 275.352 1.489 20 30 CDEDLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1cc(C#N)ccn1 ZINC000909019345 628482067 /nfs/dbraw/zinc/48/20/67/628482067.db2.gz FDYFDASUNRSDNI-ZDUSSCGKSA-N 1 2 259.309 1.481 20 30 CDEDLO C[N@H+]1CCCC[C@H]1C(=O)OCc1cc(C#N)ccn1 ZINC000909019345 628482069 /nfs/dbraw/zinc/48/20/69/628482069.db2.gz FDYFDASUNRSDNI-ZDUSSCGKSA-N 1 2 259.309 1.481 20 30 CDEDLO CC(C)(C#N)CS(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000913923483 630896968 /nfs/dbraw/zinc/89/69/68/630896968.db2.gz RLWOBMVTKHGWRK-LBPRGKRZSA-N 1 2 285.413 1.036 20 30 CDEDLO CC(C)(C#N)CS(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000913923483 630896973 /nfs/dbraw/zinc/89/69/73/630896973.db2.gz RLWOBMVTKHGWRK-LBPRGKRZSA-N 1 2 285.413 1.036 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000840752432 631846281 /nfs/dbraw/zinc/84/62/81/631846281.db2.gz KHXVNQITFJAALT-NSHDSACASA-N 1 2 297.286 1.319 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000840752432 631846288 /nfs/dbraw/zinc/84/62/88/631846288.db2.gz KHXVNQITFJAALT-NSHDSACASA-N 1 2 297.286 1.319 20 30 CDEDLO C=CCN(C(=O)N[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC000918065616 632324805 /nfs/dbraw/zinc/32/48/05/632324805.db2.gz RVTYFEIVMILKJL-CYBMUJFWSA-N 1 2 269.389 1.313 20 30 CDEDLO C=CCn1c(C)nn(C[N@H+](C)C[C@H]2CCOC2)c1=S ZINC000176104567 1158981574 /nfs/dbraw/zinc/98/15/74/1158981574.db2.gz HQJXPDZSCTWPBG-GFCCVEGCSA-N 1 2 282.413 1.834 20 30 CDEDLO C=CCn1c(C)nn(C[N@@H+](C)C[C@H]2CCOC2)c1=S ZINC000176104567 1158981582 /nfs/dbraw/zinc/98/15/82/1158981582.db2.gz HQJXPDZSCTWPBG-GFCCVEGCSA-N 1 2 282.413 1.834 20 30 CDEDLO Cc1nc(N2CC[C@@H](C)[C@H](NC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001114021275 1162402536 /nfs/dbraw/zinc/40/25/36/1162402536.db2.gz KLPOHARYFSZWCK-IUODEOHRSA-N 1 2 298.390 1.529 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3ncccn3)C[C@H]21 ZINC001114024959 1162402902 /nfs/dbraw/zinc/40/29/02/1162402902.db2.gz GWHAHSAWFCXNDQ-CXTNEJHOSA-N 1 2 286.379 1.550 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3ncccn3)C[C@H]21 ZINC001114024959 1162402904 /nfs/dbraw/zinc/40/29/04/1162402904.db2.gz GWHAHSAWFCXNDQ-CXTNEJHOSA-N 1 2 286.379 1.550 20 30 CDEDLO CC[C@H](Cc1ccc2c(c1)OCO2)N1CC[NH2+]C[C@@H]1C#N ZINC001170436884 1162441942 /nfs/dbraw/zinc/44/19/42/1162441942.db2.gz LCMXBHTZXHXBBV-KGLIPLIRSA-N 1 2 287.363 1.534 20 30 CDEDLO C=CCCC(=O)NCC1(O)C[NH+](CCc2cccs2)C1 ZINC001754764928 1159452132 /nfs/dbraw/zinc/45/21/32/1159452132.db2.gz RXPLATYFYGIQEU-UHFFFAOYSA-N 1 2 294.420 1.420 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cnon2)C1 ZINC001752784510 1160239547 /nfs/dbraw/zinc/23/95/47/1160239547.db2.gz DFCIKKQVPSEVQR-LBPRGKRZSA-N 1 2 292.383 1.610 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC001752784510 1160239554 /nfs/dbraw/zinc/23/95/54/1160239554.db2.gz DFCIKKQVPSEVQR-LBPRGKRZSA-N 1 2 292.383 1.610 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](C)OCC(C)C)CC1 ZINC001112659719 1162048015 /nfs/dbraw/zinc/04/80/15/1162048015.db2.gz NMEHORMWLWWOMS-HNNXBMFYSA-N 1 2 298.427 1.394 20 30 CDEDLO CCN(c1ncc(Cl)nc1C#N)C1C[NH+](C)C1 ZINC001157455870 1162095080 /nfs/dbraw/zinc/09/50/80/1162095080.db2.gz VHDFGAUUNORWBF-UHFFFAOYSA-N 1 2 251.721 1.142 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](OCC)[C@@H]2CCOC2)CC1 ZINC001113161709 1162119169 /nfs/dbraw/zinc/11/91/69/1162119169.db2.gz ICWRXQPAWJHOEC-CABCVRRESA-N 1 2 296.411 1.148 20 30 CDEDLO CC[C@H](CC#N)[NH2+]C1CC[NH+](CCCC(=O)[O-])CC1 ZINC001604980475 1163403081 /nfs/dbraw/zinc/40/30/81/1163403081.db2.gz HBXJWHNJBKQOBX-GFCCVEGCSA-N 1 2 267.373 1.597 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NCC[NH2+]Cc1nncs1 ZINC001132657855 1163419408 /nfs/dbraw/zinc/41/94/08/1163419408.db2.gz PKKFQMKAJLJRFI-JTQLQIEISA-N 1 2 268.386 1.346 20 30 CDEDLO N#CCOc1ccc(NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001623869049 1165795886 /nfs/dbraw/zinc/79/58/86/1165795886.db2.gz ADMGRCMEPBVVBH-UHFFFAOYSA-N 1 2 256.265 1.493 20 30 CDEDLO N#Cc1ccc(NCC(=O)Nc2ccc3[nH+]ccn3c2)nc1 ZINC001642038571 1167151945 /nfs/dbraw/zinc/15/19/45/1167151945.db2.gz CLCZWROENLCJHY-UHFFFAOYSA-N 1 2 292.302 1.652 20 30 CDEDLO CCOC(=O)[C@H]1[C@@H]2CN(c3cc(CC#N)cc[nH+]3)C[C@@H]21 ZINC001155403803 1167159859 /nfs/dbraw/zinc/15/98/59/1167159859.db2.gz FWRDSOJQRJMJIX-IMRBUKKESA-N 1 2 271.320 1.393 20 30 CDEDLO C=CC[NH+]1CC(CNC(=O)c2ccc(-c3cn[nH]n3)cc2)C1 ZINC001575100979 1171112799 /nfs/dbraw/zinc/11/27/99/1171112799.db2.gz ZNNUJVUFCMUQST-UHFFFAOYSA-N 1 2 297.362 1.319 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCc3c(N)cccc3C2)CCC1 ZINC001580039966 1172330212 /nfs/dbraw/zinc/33/02/12/1172330212.db2.gz BCGGABCMGNZSNA-UHFFFAOYSA-N 1 2 284.363 1.189 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCc3c(N)cccc3C2)CCC1 ZINC001580039966 1172330215 /nfs/dbraw/zinc/33/02/15/1172330215.db2.gz BCGGABCMGNZSNA-UHFFFAOYSA-N 1 2 284.363 1.189 20 30 CDEDLO C=C[C@H](COC)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001588525787 1173075815 /nfs/dbraw/zinc/07/58/15/1173075815.db2.gz KRKXCPPYEFAZPJ-VHSXEESVSA-N 1 2 289.339 1.424 20 30 CDEDLO Cn1ncc2c1nc[nH+]c2NCc1cccc(OCC#N)c1 ZINC000113247946 1174855228 /nfs/dbraw/zinc/85/52/28/1174855228.db2.gz GHAYNXKNTJAJCC-UHFFFAOYSA-N 1 2 294.318 1.878 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000243389421 1180536627 /nfs/dbraw/zinc/53/66/27/1180536627.db2.gz MLIRBFQEOIKOPA-UHFFFAOYSA-N 1 2 270.336 1.894 20 30 CDEDLO C=CCC(C)(C)C(=O)NC1C[NH+](CCc2ccnn2C)C1 ZINC001753390478 1184525859 /nfs/dbraw/zinc/52/58/59/1184525859.db2.gz VMMAJTPPVSYCNM-UHFFFAOYSA-N 1 2 290.411 1.365 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC(F)(F)C(F)F ZINC001752564439 1184878206 /nfs/dbraw/zinc/87/82/06/1184878206.db2.gz CYSXEDAIMWFEOW-AOOOYVTPSA-N 1 2 292.276 1.585 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC(F)(F)C(F)F ZINC001752564439 1184878211 /nfs/dbraw/zinc/87/82/11/1184878211.db2.gz CYSXEDAIMWFEOW-AOOOYVTPSA-N 1 2 292.276 1.585 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)C1CCC=CCC1 ZINC001753074017 1185041053 /nfs/dbraw/zinc/04/10/53/1185041053.db2.gz VUNGHADOCQRMLV-UHFFFAOYSA-N 1 2 293.411 1.083 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)C1CCC=CCC1 ZINC001753074017 1185041046 /nfs/dbraw/zinc/04/10/46/1185041046.db2.gz VUNGHADOCQRMLV-UHFFFAOYSA-N 1 2 293.411 1.083 20 30 CDEDLO C=CCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cnns1 ZINC001753096815 1185058073 /nfs/dbraw/zinc/05/80/73/1185058073.db2.gz HNQFGCAVHNCJIW-LLVKDONJSA-N 1 2 280.397 1.585 20 30 CDEDLO C=CCCC(=O)NC[C@H]1CCC[N@H+]1Cc1cnns1 ZINC001753096815 1185058079 /nfs/dbraw/zinc/05/80/79/1185058079.db2.gz HNQFGCAVHNCJIW-LLVKDONJSA-N 1 2 280.397 1.585 20 30 CDEDLO C=CCN1CC[NH+](CCN(C)C(=O)CC[C@H](C)OC)CC1 ZINC001753342204 1185163183 /nfs/dbraw/zinc/16/31/83/1185163183.db2.gz OYZZISLGHNIKOZ-HNNXBMFYSA-N 1 2 297.443 1.064 20 30 CDEDLO C=CCCCC(=O)NCC1C[NH+](Cc2cc(OC)no2)C1 ZINC001753410551 1185191753 /nfs/dbraw/zinc/19/17/53/1185191753.db2.gz ILUZALYYZFMXPL-UHFFFAOYSA-N 1 2 293.367 1.588 20 30 CDEDLO C#CCCCC(=O)N(C)[C@@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001753435237 1185206919 /nfs/dbraw/zinc/20/69/19/1185206919.db2.gz OETTYXUHHZLZOM-CQSZACIVSA-N 1 2 289.379 1.819 20 30 CDEDLO C#CCCCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001753435237 1185206926 /nfs/dbraw/zinc/20/69/26/1185206926.db2.gz OETTYXUHHZLZOM-CQSZACIVSA-N 1 2 289.379 1.819 20 30 CDEDLO CC(C)C#CC(=O)NC[C@H]1CC[N@@H+]1C/C=C/Cl ZINC001754483252 1185637459 /nfs/dbraw/zinc/63/74/59/1185637459.db2.gz HHAFDRJWOPXGCM-QDBLGGKGSA-N 1 2 254.761 1.589 20 30 CDEDLO CC(C)C#CC(=O)NC[C@H]1CC[N@H+]1C/C=C/Cl ZINC001754483252 1185637462 /nfs/dbraw/zinc/63/74/62/1185637462.db2.gz HHAFDRJWOPXGCM-QDBLGGKGSA-N 1 2 254.761 1.589 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H](C)COC)CO2 ZINC001755065772 1185805687 /nfs/dbraw/zinc/80/56/87/1185805687.db2.gz RKTNMNXWGPDUPW-KBPBESRZSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)C(F)C(F)(F)F ZINC001755192861 1185847669 /nfs/dbraw/zinc/84/76/69/1185847669.db2.gz MSPPAPRGKXBWLC-ZJUUUORDSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C(F)C(F)(F)F ZINC001755192861 1185847671 /nfs/dbraw/zinc/84/76/71/1185847671.db2.gz MSPPAPRGKXBWLC-ZJUUUORDSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](F)C(F)(F)F ZINC001755192861 1185847674 /nfs/dbraw/zinc/84/76/74/1185847674.db2.gz MSPPAPRGKXBWLC-ZJUUUORDSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](F)C(F)(F)F ZINC001755192861 1185847677 /nfs/dbraw/zinc/84/76/77/1185847677.db2.gz MSPPAPRGKXBWLC-ZJUUUORDSA-N 1 2 282.281 1.996 20 30 CDEDLO C[C@H](C#N)C(=O)NC[C@H](C)[N@H+](C)Cc1ccns1 ZINC001755293428 1185895355 /nfs/dbraw/zinc/89/53/55/1185895355.db2.gz SNZUFIXVXPITGG-ZJUUUORDSA-N 1 2 266.370 1.239 20 30 CDEDLO C[C@H](C#N)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccns1 ZINC001755293428 1185895362 /nfs/dbraw/zinc/89/53/62/1185895362.db2.gz SNZUFIXVXPITGG-ZJUUUORDSA-N 1 2 266.370 1.239 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](O)C(C)C ZINC001755298298 1185899426 /nfs/dbraw/zinc/89/94/26/1185899426.db2.gz IIWOLMPZUMWCEU-WDEREUQCSA-N 1 2 262.781 1.192 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](O)C(C)C ZINC001755298298 1185899434 /nfs/dbraw/zinc/89/94/34/1185899434.db2.gz IIWOLMPZUMWCEU-WDEREUQCSA-N 1 2 262.781 1.192 20 30 CDEDLO Cc1ccn(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(=O)c1C#N ZINC001771651618 1186738867 /nfs/dbraw/zinc/73/88/67/1186738867.db2.gz JZBUGCGPUWCABE-HIFRSBDPSA-N 1 2 287.363 1.487 20 30 CDEDLO Cc1ccn(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(=O)c1C#N ZINC001771651618 1186738869 /nfs/dbraw/zinc/73/88/69/1186738869.db2.gz JZBUGCGPUWCABE-HIFRSBDPSA-N 1 2 287.363 1.487 20 30 CDEDLO N#Cc1ccc(N2CCN(c3cc(N)nc[nH+]3)CC2)cc1 ZINC001772119231 1187079335 /nfs/dbraw/zinc/07/93/35/1187079335.db2.gz IEGIBNAMSJTKTJ-UHFFFAOYSA-N 1 2 280.335 1.257 20 30 CDEDLO C=CC[NH+]1CCN([C@@H](F)Oc2cncc(Cl)n2)CC1 ZINC001165034694 721872609 /nfs/dbraw/zinc/87/26/09/721872609.db2.gz NHSGXCQYFMHCCV-GFCCVEGCSA-N 1 2 286.738 1.566 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@@H+](CCOC)[C@@H]2C1 ZINC001074311819 782230257 /nfs/dbraw/zinc/23/02/57/782230257.db2.gz CSKCVKVZLNDYFR-KGLIPLIRSA-N 1 2 296.411 1.147 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@H+](CCOC)[C@@H]2C1 ZINC001074311819 782230275 /nfs/dbraw/zinc/23/02/75/782230275.db2.gz CSKCVKVZLNDYFR-KGLIPLIRSA-N 1 2 296.411 1.147 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2coc(C)c2)C1 ZINC001035345935 782241746 /nfs/dbraw/zinc/24/17/46/782241746.db2.gz GAVTUYRFGYDAOX-AWEZNQCLSA-N 1 2 276.336 1.042 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2coc(C)c2)C1 ZINC001035345935 782241758 /nfs/dbraw/zinc/24/17/58/782241758.db2.gz GAVTUYRFGYDAOX-AWEZNQCLSA-N 1 2 276.336 1.042 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1=COCCC1)CO2 ZINC001053751056 782242882 /nfs/dbraw/zinc/24/28/82/782242882.db2.gz CJUCRTWTGKNGAM-CQSZACIVSA-N 1 2 292.379 1.216 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncnc1C1CC1 ZINC001038971614 782277620 /nfs/dbraw/zinc/27/76/20/782277620.db2.gz GXFFYZHWNCICDK-CYBMUJFWSA-N 1 2 284.363 1.181 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cncnc1C1CC1 ZINC001038971614 782277632 /nfs/dbraw/zinc/27/76/32/782277632.db2.gz GXFFYZHWNCICDK-CYBMUJFWSA-N 1 2 284.363 1.181 20 30 CDEDLO C=CC[N@@H+](C)CN1C(=O)[C@]2(CCCO2)[C@@H]1C(C)C ZINC000840046832 782284742 /nfs/dbraw/zinc/28/47/42/782284742.db2.gz HHUXWEXUGDJQJB-JSGCOSHPSA-N 1 2 252.358 1.478 20 30 CDEDLO C=CC[N@H+](C)CN1C(=O)[C@]2(CCCO2)[C@@H]1C(C)C ZINC000840046832 782284773 /nfs/dbraw/zinc/28/47/73/782284773.db2.gz HHUXWEXUGDJQJB-JSGCOSHPSA-N 1 2 252.358 1.478 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ncc(C)cc1OC ZINC001038342506 782321120 /nfs/dbraw/zinc/32/11/20/782321120.db2.gz UDBHDIYIBPVVJJ-ZDUSSCGKSA-N 1 2 287.363 1.226 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncc(C)cc1OC ZINC001038342506 782321123 /nfs/dbraw/zinc/32/11/23/782321123.db2.gz UDBHDIYIBPVVJJ-ZDUSSCGKSA-N 1 2 287.363 1.226 20 30 CDEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(C)cc2C)CC1 ZINC000852742562 782338410 /nfs/dbraw/zinc/33/84/10/782338410.db2.gz KYAKUVYDYRPXSW-UHFFFAOYSA-N 1 2 287.407 1.728 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000191524077 782343034 /nfs/dbraw/zinc/34/30/34/782343034.db2.gz BHESIEYOEZXLMI-UKRRQHHQSA-N 1 2 275.348 1.280 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000191524077 782343037 /nfs/dbraw/zinc/34/30/37/782343037.db2.gz BHESIEYOEZXLMI-UKRRQHHQSA-N 1 2 275.348 1.280 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(N(C)C)nc2)n1 ZINC000789761864 782362059 /nfs/dbraw/zinc/36/20/59/782362059.db2.gz MZARJGNSQNVPPH-UHFFFAOYSA-N 1 2 297.406 1.999 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(N(C)C)nc2)n1 ZINC000789761864 782362064 /nfs/dbraw/zinc/36/20/64/782362064.db2.gz MZARJGNSQNVPPH-UHFFFAOYSA-N 1 2 297.406 1.999 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnnc3)[C@@H]2C1 ZINC001076282245 782390478 /nfs/dbraw/zinc/39/04/78/782390478.db2.gz AYKOGYASUMDXCS-QWHCGFSZSA-N 1 2 292.770 1.375 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccnnc3)[C@@H]2C1 ZINC001076282245 782390487 /nfs/dbraw/zinc/39/04/87/782390487.db2.gz AYKOGYASUMDXCS-QWHCGFSZSA-N 1 2 292.770 1.375 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001010060797 782384624 /nfs/dbraw/zinc/38/46/24/782384624.db2.gz OQEWTWSZABHZKX-QWRGUYRKSA-N 1 2 258.749 1.108 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001010060797 782384636 /nfs/dbraw/zinc/38/46/36/782384636.db2.gz OQEWTWSZABHZKX-QWRGUYRKSA-N 1 2 258.749 1.108 20 30 CDEDLO Cc1ccccc1C[NH+]1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001030193824 782488618 /nfs/dbraw/zinc/48/86/18/782488618.db2.gz BPAWKTHWXFDJOW-UHFFFAOYSA-N 1 2 294.358 1.809 20 30 CDEDLO C=C[C@H](C)ONC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000845634301 782536768 /nfs/dbraw/zinc/53/67/68/782536768.db2.gz KDEYBQKWSMNEQP-LBPRGKRZSA-N 1 2 288.351 1.991 20 30 CDEDLO COCC[N@H+](CCC#N)Cc1cccc(OC)c1O ZINC000093100143 782549183 /nfs/dbraw/zinc/54/91/83/782549183.db2.gz OCBYKDGTUMDJCI-UHFFFAOYSA-N 1 2 264.325 1.763 20 30 CDEDLO COCC[N@@H+](CCC#N)Cc1cccc(OC)c1O ZINC000093100143 782549218 /nfs/dbraw/zinc/54/92/18/782549218.db2.gz OCBYKDGTUMDJCI-UHFFFAOYSA-N 1 2 264.325 1.763 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc[nH]c2)C1 ZINC001033102669 782552663 /nfs/dbraw/zinc/55/26/63/782552663.db2.gz HXCVNNDBPRYGGC-LBPRGKRZSA-N 1 2 267.760 1.914 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc[nH]c2)C1 ZINC001033102669 782552673 /nfs/dbraw/zinc/55/26/73/782552673.db2.gz HXCVNNDBPRYGGC-LBPRGKRZSA-N 1 2 267.760 1.914 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C1(C#N)CCCC1 ZINC000874701235 1165656643 /nfs/dbraw/zinc/65/66/43/1165656643.db2.gz ZCLJFCYEBJENRU-ZDUSSCGKSA-N 1 2 279.384 1.297 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)C1(C#N)CCCC1 ZINC000874701235 1165656646 /nfs/dbraw/zinc/65/66/46/1165656646.db2.gz ZCLJFCYEBJENRU-ZDUSSCGKSA-N 1 2 279.384 1.297 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(Cl)cn1CC ZINC001039033078 780495637 /nfs/dbraw/zinc/49/56/37/780495637.db2.gz PAZFCWHBUWTJER-LBPRGKRZSA-N 1 2 279.771 1.599 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cl)cn1CC ZINC001039033078 780495667 /nfs/dbraw/zinc/49/56/67/780495667.db2.gz PAZFCWHBUWTJER-LBPRGKRZSA-N 1 2 279.771 1.599 20 30 CDEDLO Cc1cc(C)c(C(=O)N[C@@H](C)C2CN(CC#N)C2)c(C)[nH+]1 ZINC000970189635 780963491 /nfs/dbraw/zinc/96/34/91/780963491.db2.gz IGQGMZUOYBACKQ-LBPRGKRZSA-N 1 2 286.379 1.581 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC13CCC3)O2 ZINC001053670492 781878661 /nfs/dbraw/zinc/87/86/61/781878661.db2.gz OWFVZYGNQBQJGM-KBPBESRZSA-N 1 2 290.407 1.712 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C2CC2)n(CC)n1 ZINC001032439195 782588124 /nfs/dbraw/zinc/58/81/24/782588124.db2.gz ZKMYIVQAKQJCFP-KBPBESRZSA-N 1 2 298.390 1.312 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C2CC2)n(CC)n1 ZINC001032439195 782588134 /nfs/dbraw/zinc/58/81/34/782588134.db2.gz ZKMYIVQAKQJCFP-KBPBESRZSA-N 1 2 298.390 1.312 20 30 CDEDLO CON=Cc1ccc(C(=O)NCCn2cc[nH+]c2)cc1 ZINC000255395955 782642341 /nfs/dbraw/zinc/64/23/41/782642341.db2.gz QXMJEOWEEWOYGA-UHFFFAOYSA-N 1 2 272.308 1.293 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2CC#CC)cc1 ZINC001038583270 782710796 /nfs/dbraw/zinc/71/07/96/782710796.db2.gz UNJURPFEJZVXFU-INIZCTEOSA-N 1 2 266.344 1.495 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CC#CC)cc1 ZINC001038583270 782710807 /nfs/dbraw/zinc/71/08/07/782710807.db2.gz UNJURPFEJZVXFU-INIZCTEOSA-N 1 2 266.344 1.495 20 30 CDEDLO NC(=[NH+]OCc1noc(C2CC2)n1)c1ccccc1 ZINC000171729210 782748878 /nfs/dbraw/zinc/74/88/78/782748878.db2.gz UMJDWKRQUUQPHQ-UHFFFAOYSA-N 1 2 258.281 1.784 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)n(C(C)C)n1 ZINC001039085840 782759347 /nfs/dbraw/zinc/75/93/47/782759347.db2.gz HWZSVUWJILGPPK-AWEZNQCLSA-N 1 2 288.395 1.600 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)n(C(C)C)n1 ZINC001039085840 782759356 /nfs/dbraw/zinc/75/93/56/782759356.db2.gz HWZSVUWJILGPPK-AWEZNQCLSA-N 1 2 288.395 1.600 20 30 CDEDLO Cc1nc(N2CC[C@@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)cc[nH+]1 ZINC001064606574 782780604 /nfs/dbraw/zinc/78/06/04/782780604.db2.gz OMRUCJRISUWDGG-BLLLJJGKSA-N 1 2 299.378 1.374 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000886142831 782833775 /nfs/dbraw/zinc/83/37/75/782833775.db2.gz LWIHHVNEGRBBGQ-VXGBXAGGSA-N 1 2 261.281 1.260 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccccc1 ZINC001017707285 782877587 /nfs/dbraw/zinc/87/75/87/782877587.db2.gz ZFWQFUVRASSYEJ-GASCZTMLSA-N 1 2 299.374 1.486 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccccc1 ZINC001017707285 782877588 /nfs/dbraw/zinc/87/75/88/782877588.db2.gz ZFWQFUVRASSYEJ-GASCZTMLSA-N 1 2 299.374 1.486 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2cccc(COC)c2)C1 ZINC001031242863 782880522 /nfs/dbraw/zinc/88/05/22/782880522.db2.gz PBTOYTPDFJFOOY-UHFFFAOYSA-N 1 2 286.375 1.199 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2csc(C)n2)C1 ZINC001031358840 782880529 /nfs/dbraw/zinc/88/05/29/782880529.db2.gz UKQRSIBMFZKCFL-UHFFFAOYSA-N 1 2 265.382 1.371 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)cccc1C ZINC001038728549 782936203 /nfs/dbraw/zinc/93/62/03/782936203.db2.gz MUKPPRRQXPKWAK-CQSZACIVSA-N 1 2 256.349 1.741 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)cccc1C ZINC001038728549 782936217 /nfs/dbraw/zinc/93/62/17/782936217.db2.gz MUKPPRRQXPKWAK-CQSZACIVSA-N 1 2 256.349 1.741 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(C)oc(C)c2C)C1 ZINC001043269335 782946681 /nfs/dbraw/zinc/94/66/81/782946681.db2.gz AIMKGBLIRRAVMZ-UHFFFAOYSA-N 1 2 274.364 1.984 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C)no1 ZINC001035013338 783003682 /nfs/dbraw/zinc/00/36/82/783003682.db2.gz AAPRBUAIPLBLNI-GFCCVEGCSA-N 1 2 292.383 1.671 20 30 CDEDLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000782591359 783004391 /nfs/dbraw/zinc/00/43/91/783004391.db2.gz DYLCKBWMYOPMHF-ZDUSSCGKSA-N 1 2 287.363 1.490 20 30 CDEDLO C[C@H]1CN(C)C(=O)C[N@H+]1CCCOc1cccc(C#N)c1 ZINC000782591359 783004398 /nfs/dbraw/zinc/00/43/98/783004398.db2.gz DYLCKBWMYOPMHF-ZDUSSCGKSA-N 1 2 287.363 1.490 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2CCCOC2)C1 ZINC001044304911 783025370 /nfs/dbraw/zinc/02/53/70/783025370.db2.gz YYAIOBQRXCNKRC-LBPRGKRZSA-N 1 2 252.358 1.132 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3cn[nH]c32)C1 ZINC001014435224 783059990 /nfs/dbraw/zinc/05/99/90/783059990.db2.gz NIIHYAPBHYRJLO-KBPBESRZSA-N 1 2 288.395 1.596 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3cn[nH]c32)C1 ZINC001014435224 783059996 /nfs/dbraw/zinc/05/99/96/783059996.db2.gz NIIHYAPBHYRJLO-KBPBESRZSA-N 1 2 288.395 1.596 20 30 CDEDLO Cc1ncoc1C[N@@H+]1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038145066 783099609 /nfs/dbraw/zinc/09/96/09/783099609.db2.gz KGNXAPCDFJBUKV-LBPRGKRZSA-N 1 2 299.334 1.187 20 30 CDEDLO Cc1ncoc1C[N@H+]1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038145066 783099616 /nfs/dbraw/zinc/09/96/16/783099616.db2.gz KGNXAPCDFJBUKV-LBPRGKRZSA-N 1 2 299.334 1.187 20 30 CDEDLO C=C[C@H](C)ONC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000845636924 783119984 /nfs/dbraw/zinc/11/99/84/783119984.db2.gz SXZSBNYRHVGWSC-RYUDHWBXSA-N 1 2 264.329 1.736 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C3CC3)C[C@@H]21 ZINC001074128801 783193660 /nfs/dbraw/zinc/19/36/60/783193660.db2.gz VWDBGTWQAJOMFJ-KBPBESRZSA-N 1 2 264.369 1.274 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3CC3)C[C@@H]21 ZINC001074128801 783193666 /nfs/dbraw/zinc/19/36/66/783193666.db2.gz VWDBGTWQAJOMFJ-KBPBESRZSA-N 1 2 264.369 1.274 20 30 CDEDLO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1scnc1C(F)F ZINC001038496294 780216036 /nfs/dbraw/zinc/21/60/36/780216036.db2.gz MQDRMXAZVCTBPY-VIFPVBQESA-N 1 2 299.346 1.908 20 30 CDEDLO C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1scnc1C(F)F ZINC001038496294 780216060 /nfs/dbraw/zinc/21/60/60/780216060.db2.gz MQDRMXAZVCTBPY-VIFPVBQESA-N 1 2 299.346 1.908 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CCNc1ncccc1C#N ZINC000872771594 780217646 /nfs/dbraw/zinc/21/76/46/780217646.db2.gz IVOZBYIQDRTOKF-CYBMUJFWSA-N 1 2 260.341 1.476 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CCNc1ncccc1C#N ZINC000872771594 780217651 /nfs/dbraw/zinc/21/76/51/780217651.db2.gz IVOZBYIQDRTOKF-CYBMUJFWSA-N 1 2 260.341 1.476 20 30 CDEDLO Cn1cc[nH+]c1NN=Cc1ccc2c(c1)ncn2C ZINC000790300066 780257920 /nfs/dbraw/zinc/25/79/20/780257920.db2.gz PABGKHKLTGEUTA-UHFFFAOYSA-N 1 2 254.297 1.753 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)c3cccn32)C1 ZINC000923561288 780314918 /nfs/dbraw/zinc/31/49/18/780314918.db2.gz XDUYVKKCBYFQFG-UKRRQHHQSA-N 1 2 299.374 1.220 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)c3cccn32)C1 ZINC000923561288 780314927 /nfs/dbraw/zinc/31/49/27/780314927.db2.gz XDUYVKKCBYFQFG-UKRRQHHQSA-N 1 2 299.374 1.220 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2Cc3c(cccc3C)O2)C1 ZINC001031264786 780323683 /nfs/dbraw/zinc/32/36/83/780323683.db2.gz UWSVRCPVCZKAMW-INIZCTEOSA-N 1 2 286.375 1.675 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc[nH]c1C ZINC001050867123 780347918 /nfs/dbraw/zinc/34/79/18/780347918.db2.gz CZIREKFCOFSLPY-ZDUSSCGKSA-N 1 2 277.368 1.330 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc[nH]c1C ZINC001050867123 780347919 /nfs/dbraw/zinc/34/79/19/780347919.db2.gz CZIREKFCOFSLPY-ZDUSSCGKSA-N 1 2 277.368 1.330 20 30 CDEDLO C=C1CCC(C(=O)NC[C@@H]2C[N@H+](CCOC)CCO2)CC1 ZINC001035493829 780520346 /nfs/dbraw/zinc/52/03/46/780520346.db2.gz OLUNSXZFLABEQW-OAHLLOKOSA-N 1 2 296.411 1.196 20 30 CDEDLO C=C1CCC(C(=O)NC[C@@H]2C[N@@H+](CCOC)CCO2)CC1 ZINC001035493829 780520382 /nfs/dbraw/zinc/52/03/82/780520382.db2.gz OLUNSXZFLABEQW-OAHLLOKOSA-N 1 2 296.411 1.196 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3cncn3C)C2)C1 ZINC001015673001 780595551 /nfs/dbraw/zinc/59/55/51/780595551.db2.gz FQHDTNMHQIOKHH-CYBMUJFWSA-N 1 2 288.395 1.467 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3cncn3C)C2)C1 ZINC001015673001 780595571 /nfs/dbraw/zinc/59/55/71/780595571.db2.gz FQHDTNMHQIOKHH-CYBMUJFWSA-N 1 2 288.395 1.467 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2cnon2)CC1 ZINC001006170097 780615132 /nfs/dbraw/zinc/61/51/32/780615132.db2.gz NSLXUXZYHURFSD-UHFFFAOYSA-N 1 2 284.747 1.359 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2scnc2COC)C1 ZINC001031072333 780657108 /nfs/dbraw/zinc/65/71/08/780657108.db2.gz ZYOVADSGXSWWFU-UHFFFAOYSA-N 1 2 281.381 1.280 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC001031110885 780706931 /nfs/dbraw/zinc/70/69/31/780706931.db2.gz QMLNUOXARIEGAO-GFCCVEGCSA-N 1 2 274.364 1.824 20 30 CDEDLO C#CC[N@@H+](Cc1nc(=O)n(C)[nH]1)[C@@H]1CCCc2ccccc21 ZINC000933418546 780716183 /nfs/dbraw/zinc/71/61/83/780716183.db2.gz LWVWPFJIBDKWCN-OAHLLOKOSA-N 1 2 296.374 1.621 20 30 CDEDLO C#CC[N@H+](Cc1nc(=O)n(C)[nH]1)[C@@H]1CCCc2ccccc21 ZINC000933418546 780716206 /nfs/dbraw/zinc/71/62/06/780716206.db2.gz LWVWPFJIBDKWCN-OAHLLOKOSA-N 1 2 296.374 1.621 20 30 CDEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2ccc(C#N)c(C)c2)C1 ZINC000805471289 780806939 /nfs/dbraw/zinc/80/69/39/780806939.db2.gz FLUDAHGJRNUVLZ-OAHLLOKOSA-N 1 2 288.347 1.631 20 30 CDEDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2ccc(C#N)c(C)c2)C1 ZINC000805471289 780806943 /nfs/dbraw/zinc/80/69/43/780806943.db2.gz FLUDAHGJRNUVLZ-OAHLLOKOSA-N 1 2 288.347 1.631 20 30 CDEDLO N#CCCOCC[NH+]1CCN(Cc2cncs2)CC1 ZINC000931358743 780835813 /nfs/dbraw/zinc/83/58/13/780835813.db2.gz FVEJLCNNWGQPKV-UHFFFAOYSA-N 1 2 280.397 1.191 20 30 CDEDLO C#C[C@@H](CC)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000854068652 780858714 /nfs/dbraw/zinc/85/87/14/780858714.db2.gz DBUDBAJAPUBWSG-NEPJUHHUSA-N 1 2 260.341 1.711 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C2CC2)n[nH]1 ZINC001032642793 780867601 /nfs/dbraw/zinc/86/76/01/780867601.db2.gz CWHQGEHLWIWMJI-STQMWFEESA-N 1 2 284.363 1.209 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C2CC2)n[nH]1 ZINC001032642793 780867606 /nfs/dbraw/zinc/86/76/06/780867606.db2.gz CWHQGEHLWIWMJI-STQMWFEESA-N 1 2 284.363 1.209 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cn(C)nn1 ZINC001024420061 780877139 /nfs/dbraw/zinc/87/71/39/780877139.db2.gz HVNZRLNMUGJOAG-LLVKDONJSA-N 1 2 297.790 1.152 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(C)nn1 ZINC001024420061 780877142 /nfs/dbraw/zinc/87/71/42/780877142.db2.gz HVNZRLNMUGJOAG-LLVKDONJSA-N 1 2 297.790 1.152 20 30 CDEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C3(C)CC3)C2)CC1 ZINC001052031856 780977076 /nfs/dbraw/zinc/97/70/76/780977076.db2.gz ZCVZHELHILNQSP-HNNXBMFYSA-N 1 2 289.423 1.028 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1F ZINC001032316759 780990909 /nfs/dbraw/zinc/99/09/09/780990909.db2.gz FOJPJWFEUXCEPR-XBFCOCLRSA-N 1 2 287.338 1.770 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1F ZINC001032316759 780990925 /nfs/dbraw/zinc/99/09/25/780990925.db2.gz FOJPJWFEUXCEPR-XBFCOCLRSA-N 1 2 287.338 1.770 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC001030714699 780993506 /nfs/dbraw/zinc/99/35/06/780993506.db2.gz AMPRXHXMNKUYDL-HUUCEWRRSA-N 1 2 276.380 1.158 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccnnc2)CC[C@H]1C ZINC001071848878 781012272 /nfs/dbraw/zinc/01/22/72/781012272.db2.gz ZINBRALEVIRXKS-YPMHNXCESA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccnnc2)CC[C@H]1C ZINC001071848878 781012280 /nfs/dbraw/zinc/01/22/80/781012280.db2.gz ZINBRALEVIRXKS-YPMHNXCESA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccnn2CC2CCC2)C1 ZINC001030317279 781033088 /nfs/dbraw/zinc/03/30/88/781033088.db2.gz MCBWGLSAMRGEIY-UHFFFAOYSA-N 1 2 288.395 1.673 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cccnn21 ZINC001032670729 781051325 /nfs/dbraw/zinc/05/13/25/781051325.db2.gz MDMPGIZGYGPZHG-GJZGRUSLSA-N 1 2 294.358 1.256 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cccnn21 ZINC001032670729 781051336 /nfs/dbraw/zinc/05/13/36/781051336.db2.gz MDMPGIZGYGPZHG-GJZGRUSLSA-N 1 2 294.358 1.256 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(C(C)C)c1C ZINC001038895828 781086507 /nfs/dbraw/zinc/08/65/07/781086507.db2.gz GSQMQTLGMMCAPG-ZDUSSCGKSA-N 1 2 274.368 1.210 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(C(C)C)c1C ZINC001038895828 781086521 /nfs/dbraw/zinc/08/65/21/781086521.db2.gz GSQMQTLGMMCAPG-ZDUSSCGKSA-N 1 2 274.368 1.210 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC(F)(F)C2)C1 ZINC001010473283 781134404 /nfs/dbraw/zinc/13/44/04/781134404.db2.gz UFTWCYLMQYCBKC-SNVBAGLBSA-N 1 2 278.730 1.975 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC(F)(F)C2)C1 ZINC001010473283 781134413 /nfs/dbraw/zinc/13/44/13/781134413.db2.gz UFTWCYLMQYCBKC-SNVBAGLBSA-N 1 2 278.730 1.975 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCOC2)C1 ZINC001010348699 781150357 /nfs/dbraw/zinc/15/03/57/781150357.db2.gz BLUUNMUPDRETNY-RYUDHWBXSA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCOC2)C1 ZINC001010348699 781150365 /nfs/dbraw/zinc/15/03/65/781150365.db2.gz BLUUNMUPDRETNY-RYUDHWBXSA-N 1 2 272.776 1.356 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1coc(C)n1)O2 ZINC001053593259 781330105 /nfs/dbraw/zinc/33/01/05/781330105.db2.gz GATORICZDWGDHO-LBPRGKRZSA-N 1 2 291.351 1.132 20 30 CDEDLO C=CC[C@H](NC(=O)NCc1c[nH+]cn1C)c1ccncc1 ZINC000812048758 781391697 /nfs/dbraw/zinc/39/16/97/781391697.db2.gz XQVSZBBJOVWLOV-AWEZNQCLSA-N 1 2 285.351 1.932 20 30 CDEDLO C=CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001046827457 781514811 /nfs/dbraw/zinc/51/48/11/781514811.db2.gz SHGOKAFZDNOEDM-OAHLLOKOSA-N 1 2 285.351 1.338 20 30 CDEDLO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001046827457 781514825 /nfs/dbraw/zinc/51/48/25/781514825.db2.gz SHGOKAFZDNOEDM-OAHLLOKOSA-N 1 2 285.351 1.338 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C ZINC001032258874 781527931 /nfs/dbraw/zinc/52/79/31/781527931.db2.gz FHSUHRWGHJZFRZ-KBPBESRZSA-N 1 2 254.333 1.527 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C ZINC001032258874 781527953 /nfs/dbraw/zinc/52/79/53/781527953.db2.gz FHSUHRWGHJZFRZ-KBPBESRZSA-N 1 2 254.333 1.527 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H](C)c2c(C)nn(C)c2C)C1 ZINC001044369781 781617303 /nfs/dbraw/zinc/61/73/03/781617303.db2.gz STFICEJADSHWAF-LLVKDONJSA-N 1 2 290.411 1.469 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@]13C[C@H]1CCC3)CO2 ZINC001053875211 781753457 /nfs/dbraw/zinc/75/34/57/781753457.db2.gz VIAQSNNCYFGYQP-JKIFEVAISA-N 1 2 288.391 1.159 20 30 CDEDLO N#CCC(=O)N1CC[NH+](C[C@@H]2CCC3(CCC3)CO2)CC1 ZINC000886229322 781772534 /nfs/dbraw/zinc/77/25/34/781772534.db2.gz NYCSXGKSOJFPND-AWEZNQCLSA-N 1 2 291.395 1.394 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C1CCC(F)CC1 ZINC001051093521 781798075 /nfs/dbraw/zinc/79/80/75/781798075.db2.gz OAVCFVPCCHOQJO-YMAMQOFZSA-N 1 2 298.402 1.908 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C1CCC(F)CC1 ZINC001051093521 781798093 /nfs/dbraw/zinc/79/80/93/781798093.db2.gz OAVCFVPCCHOQJO-YMAMQOFZSA-N 1 2 298.402 1.908 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cocn1)O2 ZINC001053584078 781819077 /nfs/dbraw/zinc/81/90/77/781819077.db2.gz MBIYTJGVKXGYTI-LBPRGKRZSA-N 1 2 291.351 1.214 20 30 CDEDLO C(=NNC1=[NH+]CCN1)c1cnc(CCc2ccccc2)s1 ZINC000841659992 781849033 /nfs/dbraw/zinc/84/90/33/781849033.db2.gz OKWWGMYHNFQHMY-UHFFFAOYSA-N 1 2 299.403 1.811 20 30 CDEDLO C=CC[NH2+][C@H]1CCN(C(=O)C(F)C(F)(F)F)[C@H]1C ZINC001074662036 781850870 /nfs/dbraw/zinc/85/08/70/781850870.db2.gz YVEFHRFDAXMFJX-CIUDSAMLSA-N 1 2 268.254 1.652 20 30 CDEDLO C=CC[NH2+][C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)[C@H]1C ZINC001074662036 781850880 /nfs/dbraw/zinc/85/08/80/781850880.db2.gz YVEFHRFDAXMFJX-CIUDSAMLSA-N 1 2 268.254 1.652 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)cc1 ZINC000249268721 781851183 /nfs/dbraw/zinc/85/11/83/781851183.db2.gz IUPTWFDOFBGJGG-IOASZLSFSA-N 1 2 290.363 1.559 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)cc1 ZINC000249268721 781851189 /nfs/dbraw/zinc/85/11/89/781851189.db2.gz IUPTWFDOFBGJGG-IOASZLSFSA-N 1 2 290.363 1.559 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCC3CC3)C[C@@H]21 ZINC001074196832 781874230 /nfs/dbraw/zinc/87/42/30/781874230.db2.gz PVSJBQYGBIJNDX-HOTGVXAUSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCC3CC3)C[C@@H]21 ZINC001074196832 781874234 /nfs/dbraw/zinc/87/42/34/781874234.db2.gz PVSJBQYGBIJNDX-HOTGVXAUSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000792301763 781883877 /nfs/dbraw/zinc/88/38/77/781883877.db2.gz LHRRKPZFCAVYEV-UHFFFAOYSA-N 1 2 260.381 1.492 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000792301763 781883883 /nfs/dbraw/zinc/88/38/83/781883883.db2.gz LHRRKPZFCAVYEV-UHFFFAOYSA-N 1 2 260.381 1.492 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnn1C(F)F ZINC001017585132 781887427 /nfs/dbraw/zinc/88/74/27/781887427.db2.gz XPFZVHBHRXQVMY-PHIMTYICSA-N 1 2 294.305 1.200 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnn1C(F)F ZINC001017585132 781887431 /nfs/dbraw/zinc/88/74/31/781887431.db2.gz XPFZVHBHRXQVMY-PHIMTYICSA-N 1 2 294.305 1.200 20 30 CDEDLO C=C(CO)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000791334162 781914196 /nfs/dbraw/zinc/91/41/96/781914196.db2.gz VSPDHZNXPYPZGX-UHFFFAOYSA-N 1 2 275.283 1.176 20 30 CDEDLO C#CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000790156620 783269330 /nfs/dbraw/zinc/26/93/30/783269330.db2.gz GDRWSRMTVQKGNV-UHFFFAOYSA-N 1 2 257.337 1.559 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnn(CCCC)c2C)C1 ZINC001031229890 783275239 /nfs/dbraw/zinc/27/52/39/783275239.db2.gz NLPPTDQTRDZTLM-UHFFFAOYSA-N 1 2 288.395 1.429 20 30 CDEDLO C=CC[N@H+](CN1CC(C)(C)CC1=O)[C@@H](C)COC ZINC000853535583 783323556 /nfs/dbraw/zinc/32/35/56/783323556.db2.gz WQCOVDTYIOQWSO-LBPRGKRZSA-N 1 2 254.374 1.725 20 30 CDEDLO C=CC[N@@H+](CN1CC(C)(C)CC1=O)[C@@H](C)COC ZINC000853535583 783323563 /nfs/dbraw/zinc/32/35/63/783323563.db2.gz WQCOVDTYIOQWSO-LBPRGKRZSA-N 1 2 254.374 1.725 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cncs2)C1 ZINC001033168490 783374482 /nfs/dbraw/zinc/37/44/82/783374482.db2.gz UYQVVUUVEPUIFR-LLVKDONJSA-N 1 2 299.827 1.971 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cncs2)C1 ZINC001033168490 783374493 /nfs/dbraw/zinc/37/44/93/783374493.db2.gz UYQVVUUVEPUIFR-LLVKDONJSA-N 1 2 299.827 1.971 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C\Cl ZINC001029242859 783467010 /nfs/dbraw/zinc/46/70/10/783467010.db2.gz NDNPURYSOLUBRO-SAYZJQMQSA-N 1 2 267.760 1.574 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C\Cl ZINC001029242859 783467012 /nfs/dbraw/zinc/46/70/12/783467012.db2.gz NDNPURYSOLUBRO-SAYZJQMQSA-N 1 2 267.760 1.574 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782616884 783503017 /nfs/dbraw/zinc/50/30/17/783503017.db2.gz JWLURUARZBDRDZ-PVXIVEMSSA-N 1 2 285.347 1.199 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782616884 783503024 /nfs/dbraw/zinc/50/30/24/783503024.db2.gz JWLURUARZBDRDZ-PVXIVEMSSA-N 1 2 285.347 1.199 20 30 CDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2CCCO2)C1 ZINC001031535484 783522604 /nfs/dbraw/zinc/52/26/04/783522604.db2.gz VAMJBLASABHCDG-MRXNPFEDSA-N 1 2 299.374 1.285 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C)n1 ZINC001038073493 783549930 /nfs/dbraw/zinc/54/99/30/783549930.db2.gz ABYPYOPQWYTTHZ-ZDUSSCGKSA-N 1 2 257.337 1.217 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(C)n1 ZINC001038073493 783549954 /nfs/dbraw/zinc/54/99/54/783549954.db2.gz ABYPYOPQWYTTHZ-ZDUSSCGKSA-N 1 2 257.337 1.217 20 30 CDEDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3O)C[C@@H]21 ZINC001232677140 1167390030 /nfs/dbraw/zinc/39/00/30/1167390030.db2.gz BHKJJYGIJHKKFN-IMRBUKKESA-N 1 2 272.304 1.115 20 30 CDEDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(C#N)ccc3O)C[C@@H]21 ZINC001232677140 1167390036 /nfs/dbraw/zinc/39/00/36/1167390036.db2.gz BHKJJYGIJHKKFN-IMRBUKKESA-N 1 2 272.304 1.115 20 30 CDEDLO N#Cc1cc(C[NH+]2CCC(O)CC2)c(F)cc1F ZINC001237529535 1167394844 /nfs/dbraw/zinc/39/48/44/1167394844.db2.gz FUFMCBBWNYPFTR-UHFFFAOYSA-N 1 2 252.264 1.793 20 30 CDEDLO C=CCCCC(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001106075092 912258910 /nfs/dbraw/zinc/25/89/10/912258910.db2.gz YMQGDYBYDDXCPW-GFCCVEGCSA-N 1 2 278.356 1.030 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnc3ccc(C)cn23)C1 ZINC001030674837 912448067 /nfs/dbraw/zinc/44/80/67/912448067.db2.gz SOXNMYYBTQXZCI-UHFFFAOYSA-N 1 2 284.363 1.633 20 30 CDEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)s2)CCCO1 ZINC001232846468 912544828 /nfs/dbraw/zinc/54/48/28/912544828.db2.gz IIXBCWDWEQRKGC-GFCCVEGCSA-N 1 2 280.349 1.384 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CCCO1 ZINC001232846468 912544838 /nfs/dbraw/zinc/54/48/38/912544838.db2.gz IIXBCWDWEQRKGC-GFCCVEGCSA-N 1 2 280.349 1.384 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C)c3cccnc23)C1 ZINC001030694873 912559040 /nfs/dbraw/zinc/55/90/40/912559040.db2.gz CLOUKAAKMFJUPE-UHFFFAOYSA-N 1 2 293.370 1.981 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(C)s1)C2 ZINC001095227286 912631939 /nfs/dbraw/zinc/63/19/39/912631939.db2.gz UBLWLGOOGBRQSH-WOPDTQHZSA-N 1 2 275.377 1.420 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(C)s1)C2 ZINC001095227286 912631945 /nfs/dbraw/zinc/63/19/45/912631945.db2.gz UBLWLGOOGBRQSH-WOPDTQHZSA-N 1 2 275.377 1.420 20 30 CDEDLO CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CC(C)(C#N)C2)C1 ZINC001173637729 912680332 /nfs/dbraw/zinc/68/03/32/912680332.db2.gz AAFHWUOLPORIIP-VXGBXAGGSA-N 1 2 250.342 1.954 20 30 CDEDLO CC(C)C[C@H](C#N)[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173750206 912787365 /nfs/dbraw/zinc/78/73/65/912787365.db2.gz HUJMAGATQZVELK-XQQFMLRXSA-N 1 2 262.361 1.685 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2conc2C2CC2)C1 ZINC001030935555 913185721 /nfs/dbraw/zinc/18/57/21/913185721.db2.gz HDQHYEQPZYVXQV-UHFFFAOYSA-N 1 2 261.325 1.542 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2CCCCN2C(C)=O)C1 ZINC001031091785 913581336 /nfs/dbraw/zinc/58/13/36/913581336.db2.gz MVMBRFXAHQNYTE-OAHLLOKOSA-N 1 2 293.411 1.154 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2snnc2C)[C@@H]1C ZINC000993053298 913665484 /nfs/dbraw/zinc/66/54/84/913665484.db2.gz VPZXLMYXYDUFER-WDEREUQCSA-N 1 2 278.381 1.062 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2snnc2C)[C@@H]1C ZINC000993053298 913665492 /nfs/dbraw/zinc/66/54/92/913665492.db2.gz VPZXLMYXYDUFER-WDEREUQCSA-N 1 2 278.381 1.062 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(N(C)CC)cc1 ZINC001039077552 894537556 /nfs/dbraw/zinc/53/75/56/894537556.db2.gz POIZBWSMJAKJAC-MRXNPFEDSA-N 1 2 285.391 1.580 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N(C)CC)cc1 ZINC001039077552 894537567 /nfs/dbraw/zinc/53/75/67/894537567.db2.gz POIZBWSMJAKJAC-MRXNPFEDSA-N 1 2 285.391 1.580 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001039109211 894687967 /nfs/dbraw/zinc/68/79/67/894687967.db2.gz ZZQYOMUEJSTPIZ-LSDHHAIUSA-N 1 2 284.359 1.122 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001039109211 894687980 /nfs/dbraw/zinc/68/79/80/894687980.db2.gz ZZQYOMUEJSTPIZ-LSDHHAIUSA-N 1 2 284.359 1.122 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C(/C)c2ccccc2OC)CC1 ZINC000255119987 895213245 /nfs/dbraw/zinc/21/32/45/895213245.db2.gz MXCKRZRRQHOPIJ-PFONDFGASA-N 1 2 298.386 1.876 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccoc1Cl ZINC001038205869 895699161 /nfs/dbraw/zinc/69/91/61/895699161.db2.gz XDBMQWJBPUYXEY-VIFPVBQESA-N 1 2 252.701 1.370 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccoc1Cl ZINC001038205869 895699166 /nfs/dbraw/zinc/69/91/66/895699166.db2.gz XDBMQWJBPUYXEY-VIFPVBQESA-N 1 2 252.701 1.370 20 30 CDEDLO CCc1nnc(CO[NH+]=C(N)Cc2ccc(OC)cc2)o1 ZINC000160721935 895765938 /nfs/dbraw/zinc/76/59/38/895765938.db2.gz ODYACACBYYSDFY-UHFFFAOYSA-N 1 2 290.323 1.672 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H](CNC(=O)c2cncc3nc[nH]c32)C1 ZINC001023385873 897540001 /nfs/dbraw/zinc/54/00/01/897540001.db2.gz ZMNBQODTALWEKN-GFCCVEGCSA-N 1 2 299.378 1.586 20 30 CDEDLO C=CC[N@H+]1CCC[C@H](CNC(=O)c2cncc3nc[nH]c32)C1 ZINC001023385873 897540018 /nfs/dbraw/zinc/54/00/18/897540018.db2.gz ZMNBQODTALWEKN-GFCCVEGCSA-N 1 2 299.378 1.586 20 30 CDEDLO Cn1cc(C(=O)/C=C\c2c[nH+]c3ccccn23)cn1 ZINC000255727548 898008385 /nfs/dbraw/zinc/00/83/85/898008385.db2.gz JFCJDZNBJAAIAA-WAYWQWQTSA-N 1 2 252.277 1.964 20 30 CDEDLO C[C@@H](CNC(=O)CCn1cc[nH+]c1)Nc1ccc(C#N)cn1 ZINC001098168096 898636027 /nfs/dbraw/zinc/63/60/27/898636027.db2.gz SXCBUWZETUHESN-LBPRGKRZSA-N 1 2 298.350 1.157 20 30 CDEDLO C#CCO[C@H](C)C(=O)N(C)[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001104684508 898883493 /nfs/dbraw/zinc/88/34/93/898883493.db2.gz ZJBYZACVWYQMHY-VXGBXAGGSA-N 1 2 290.367 1.082 20 30 CDEDLO C[C@@H](CNc1ncccc1C#N)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001104826235 899552212 /nfs/dbraw/zinc/55/22/12/899552212.db2.gz TVLNKVGYVORVOL-NSHDSACASA-N 1 2 298.350 1.178 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C(\C)CC)C[C@H]21 ZINC001177002265 914427332 /nfs/dbraw/zinc/42/73/32/914427332.db2.gz YDANVBBROJLVGW-MLOLEURXSA-N 1 2 278.396 1.830 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C(\C)CC)C[C@H]21 ZINC001177002265 914427345 /nfs/dbraw/zinc/42/73/45/914427345.db2.gz YDANVBBROJLVGW-MLOLEURXSA-N 1 2 278.396 1.830 20 30 CDEDLO C#CCCCCC(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001125967093 900287601 /nfs/dbraw/zinc/28/76/01/900287601.db2.gz LSLCKFPVFBBVMY-UHFFFAOYSA-N 1 2 263.341 1.382 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H]2OCC[N@H+](CCC#C)[C@H]2C1 ZINC001177005560 914430980 /nfs/dbraw/zinc/43/09/80/914430980.db2.gz HYOYZNRBKCUUKG-HOTGVXAUSA-N 1 2 288.391 1.115 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCC#C)[C@H]2C1 ZINC001177005560 914430989 /nfs/dbraw/zinc/43/09/89/914430989.db2.gz HYOYZNRBKCUUKG-HOTGVXAUSA-N 1 2 288.391 1.115 20 30 CDEDLO N#CN=C1SCCN1Cc1ccc(NC=[NH2+])nc1 ZINC001167863873 901491348 /nfs/dbraw/zinc/49/13/48/901491348.db2.gz HHYJBRIZPBMUQN-WJDWOHSUSA-N 1 2 260.326 1.486 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)C1 ZINC001031484314 914666395 /nfs/dbraw/zinc/66/63/95/914666395.db2.gz UYGXGZWUMHWNOW-MLGOLLRUSA-N 1 2 286.375 1.928 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001031493789 914671923 /nfs/dbraw/zinc/67/19/23/914671923.db2.gz GYGNIJFNEIAALA-ZDUSSCGKSA-N 1 2 264.369 1.180 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001270501796 904683894 /nfs/dbraw/zinc/68/38/94/904683894.db2.gz OUIBXAJVRSPXGS-JTQLQIEISA-N 1 2 289.301 1.775 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001270501796 904683901 /nfs/dbraw/zinc/68/39/01/904683901.db2.gz OUIBXAJVRSPXGS-JTQLQIEISA-N 1 2 289.301 1.775 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001128264445 921234024 /nfs/dbraw/zinc/23/40/24/921234024.db2.gz RAIMJQFJQDHWLC-SNVBAGLBSA-N 1 2 280.372 1.747 20 30 CDEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](C)C#N)c2C1 ZINC001128263919 921234256 /nfs/dbraw/zinc/23/42/56/921234256.db2.gz IADZQBBWIZDIBW-GFCCVEGCSA-N 1 2 287.367 1.051 20 30 CDEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H](C)C#N)c2C1 ZINC001128263919 921234261 /nfs/dbraw/zinc/23/42/61/921234261.db2.gz IADZQBBWIZDIBW-GFCCVEGCSA-N 1 2 287.367 1.051 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CCCC2)[C@@H](O)C1 ZINC001090005183 921307309 /nfs/dbraw/zinc/30/73/09/921307309.db2.gz BBXWDTLECAFVTL-STQMWFEESA-N 1 2 286.803 1.481 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CCCC2)[C@@H](O)C1 ZINC001090005183 921307310 /nfs/dbraw/zinc/30/73/10/921307310.db2.gz BBXWDTLECAFVTL-STQMWFEESA-N 1 2 286.803 1.481 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2CC2)[C@@H](O)C1 ZINC001090007958 921318519 /nfs/dbraw/zinc/31/85/19/921318519.db2.gz AKDLCIIKKBDCEE-RYUDHWBXSA-N 1 2 272.776 1.090 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC2CC2)[C@@H](O)C1 ZINC001090007958 921318526 /nfs/dbraw/zinc/31/85/26/921318526.db2.gz AKDLCIIKKBDCEE-RYUDHWBXSA-N 1 2 272.776 1.090 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)n1cccn1 ZINC001482580812 907386964 /nfs/dbraw/zinc/38/69/64/907386964.db2.gz IWBUIRGJAUAIIN-GFCCVEGCSA-N 1 2 284.791 1.587 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](C)n1cccn1 ZINC001482580812 907386971 /nfs/dbraw/zinc/38/69/71/907386971.db2.gz IWBUIRGJAUAIIN-GFCCVEGCSA-N 1 2 284.791 1.587 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CC1(O)CCC1 ZINC001482595498 907693334 /nfs/dbraw/zinc/69/33/34/907693334.db2.gz QQKJNSFCFDGSGW-UHFFFAOYSA-N 1 2 274.792 1.434 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CC1(O)CCC1 ZINC001482595498 907693338 /nfs/dbraw/zinc/69/33/38/907693338.db2.gz QQKJNSFCFDGSGW-UHFFFAOYSA-N 1 2 274.792 1.434 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)nn2)[C@H]1C ZINC001088560653 907895277 /nfs/dbraw/zinc/89/52/77/907895277.db2.gz BTKPEYYPMQFSEF-NEPJUHHUSA-N 1 2 294.786 1.730 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)nn2)[C@H]1C ZINC001088560653 907895291 /nfs/dbraw/zinc/89/52/91/907895291.db2.gz BTKPEYYPMQFSEF-NEPJUHHUSA-N 1 2 294.786 1.730 20 30 CDEDLO C=CC[C@@H]([NH2+][C@H]1Cc2ccc(OC)cc2C1)C(=O)OC ZINC001168242230 907968261 /nfs/dbraw/zinc/96/82/61/907968261.db2.gz WPRDROLYRHUNFV-DZGCQCFKSA-N 1 2 275.348 1.870 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C)n(C)n2)C1 ZINC001189280670 921396423 /nfs/dbraw/zinc/39/64/23/921396423.db2.gz WFBHWVBWFWBELO-HNNXBMFYSA-N 1 2 290.411 1.727 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)Cc2cc(C)n(C)n2)C1 ZINC001189280670 921396435 /nfs/dbraw/zinc/39/64/35/921396435.db2.gz WFBHWVBWFWBELO-HNNXBMFYSA-N 1 2 290.411 1.727 20 30 CDEDLO CCn1nnc(C)c1CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000842023744 908876832 /nfs/dbraw/zinc/87/68/32/908876832.db2.gz YQZXUKMLSDGLLU-UHFFFAOYSA-N 1 2 291.330 1.891 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)o2)[C@H](O)C1 ZINC001090052032 921489790 /nfs/dbraw/zinc/48/97/90/921489790.db2.gz UTZHONGOGTVXCR-NWDGAFQWSA-N 1 2 298.770 1.506 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)o2)[C@H](O)C1 ZINC001090052032 921489791 /nfs/dbraw/zinc/48/97/91/921489791.db2.gz UTZHONGOGTVXCR-NWDGAFQWSA-N 1 2 298.770 1.506 20 30 CDEDLO Cc1nc(NC2(CNC(=O)C#CC(C)(C)C)CC2)cc[nH+]1 ZINC001110131543 909388494 /nfs/dbraw/zinc/38/84/94/909388494.db2.gz PIMUHAAYCYQDII-UHFFFAOYSA-N 1 2 286.379 1.895 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)C)c1nccn12 ZINC001092409280 909405109 /nfs/dbraw/zinc/40/51/09/909405109.db2.gz LWRUTUGTDNJDFN-LBPRGKRZSA-N 1 2 288.395 1.687 20 30 CDEDLO Cc1nc(NC2CC3(CC(NC(=O)[C@@H](C)C#N)C3)C2)cc[nH+]1 ZINC001093425433 909786933 /nfs/dbraw/zinc/78/69/33/909786933.db2.gz YLRNYPLELAPUQG-MAFMQUBESA-N 1 2 299.378 1.784 20 30 CDEDLO Cc1nc(NCCCNC(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001094397044 910576453 /nfs/dbraw/zinc/57/64/53/910576453.db2.gz NGXNIDMWJPJHIP-UHFFFAOYSA-N 1 2 284.323 1.217 20 30 CDEDLO COC(=O)[C@@H]1CC[N@@H+]1[C@H](C)Cc1ccc(C#N)cc1 ZINC001172316402 911560646 /nfs/dbraw/zinc/56/06/46/911560646.db2.gz SJSANZHMNKORRY-RISCZKNCSA-N 1 2 258.321 1.737 20 30 CDEDLO COC(=O)[C@@H]1CC[N@H+]1[C@H](C)Cc1ccc(C#N)cc1 ZINC001172316402 911560657 /nfs/dbraw/zinc/56/06/57/911560657.db2.gz SJSANZHMNKORRY-RISCZKNCSA-N 1 2 258.321 1.737 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCN2c2ccccc2)C1 ZINC001030415620 911789806 /nfs/dbraw/zinc/78/98/06/911789806.db2.gz KDAITIPKLATWHO-KRWDZBQOSA-N 1 2 297.402 1.479 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC001030592973 912099329 /nfs/dbraw/zinc/09/93/29/912099329.db2.gz UXZFPTCTCNVBRX-UHFFFAOYSA-N 1 2 274.368 1.075 20 30 CDEDLO Cn1c[nH+]c(CCNC(=O)[C@H](C#N)Cc2cccs2)c1 ZINC001177917263 915026611 /nfs/dbraw/zinc/02/66/11/915026611.db2.gz QXELDHFOFODNRF-NSHDSACASA-N 1 2 288.376 1.523 20 30 CDEDLO Cc1ccc(C(=NC(=O)[C@@H]2CCc3[nH+]ccn3C2)NO)nc1 ZINC001178119544 915184772 /nfs/dbraw/zinc/18/47/72/915184772.db2.gz RVDPNIPQXAAMGI-LLVKDONJSA-N 1 2 299.334 1.101 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001124488790 936319898 /nfs/dbraw/zinc/31/98/98/936319898.db2.gz UVPACMXQQXGHMJ-MNOVXSKESA-N 1 2 296.371 1.126 20 30 CDEDLO CCCCON=C(N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181846010 916816602 /nfs/dbraw/zinc/81/66/02/916816602.db2.gz ADYDQMHRIFKLSA-HNNXBMFYSA-N 1 2 291.395 1.976 20 30 CDEDLO CCCCON=C(N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181846010 916816623 /nfs/dbraw/zinc/81/66/23/916816623.db2.gz ADYDQMHRIFKLSA-HNNXBMFYSA-N 1 2 291.395 1.976 20 30 CDEDLO N#CCc1cccc(NC(=O)Cc2cc[nH+]c(N)c2)c1 ZINC001181263846 916949263 /nfs/dbraw/zinc/94/92/63/916949263.db2.gz RMMJDLLZKDHTRB-UHFFFAOYSA-N 1 2 266.304 1.911 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc(C)o1)CCO2 ZINC001053147428 936409654 /nfs/dbraw/zinc/40/96/54/936409654.db2.gz SOEDVIIQVBZVNF-UHFFFAOYSA-N 1 2 290.363 1.691 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC1(C)C)CCO2 ZINC001053223942 936410488 /nfs/dbraw/zinc/41/04/88/936410488.db2.gz JTNLYPIOXIZCET-ZDUSSCGKSA-N 1 2 278.396 1.522 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[C@H]3C[C@H]3C1)O2 ZINC001053652114 936416261 /nfs/dbraw/zinc/41/62/61/936416261.db2.gz TXUAPQPMXYRFPJ-CBBWQLFWSA-N 1 2 290.407 1.568 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)C1CCC1)CO2 ZINC001053844259 936421536 /nfs/dbraw/zinc/42/15/36/936421536.db2.gz FAZFARHMELJHSR-DZGCQCFKSA-N 1 2 290.407 1.405 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001054050869 936426914 /nfs/dbraw/zinc/42/69/14/936426914.db2.gz NQPHJIPYCGAAHI-JQFCIGGWSA-N 1 2 282.387 1.819 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001054050869 936426916 /nfs/dbraw/zinc/42/69/16/936426916.db2.gz NQPHJIPYCGAAHI-JQFCIGGWSA-N 1 2 282.387 1.819 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cccnn3)cc2C1 ZINC001054287699 936434642 /nfs/dbraw/zinc/43/46/42/936434642.db2.gz YGPMZYVXFPZEKG-UHFFFAOYSA-N 1 2 292.342 1.355 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cccnn3)cc2C1 ZINC001054287699 936434644 /nfs/dbraw/zinc/43/46/44/936434644.db2.gz YGPMZYVXFPZEKG-UHFFFAOYSA-N 1 2 292.342 1.355 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1coc(C)n1 ZINC001272725442 917710343 /nfs/dbraw/zinc/71/03/43/917710343.db2.gz DUWLDYZKCNNYCS-MRXNPFEDSA-N 1 2 287.363 1.573 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1coc(C)n1 ZINC001272725442 917710349 /nfs/dbraw/zinc/71/03/49/917710349.db2.gz DUWLDYZKCNNYCS-MRXNPFEDSA-N 1 2 287.363 1.573 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nnc(C)o2)C1 ZINC001182214891 917726972 /nfs/dbraw/zinc/72/69/72/917726972.db2.gz KRNQWBQLWSWXHN-WCQYABFASA-N 1 2 290.367 1.433 20 30 CDEDLO CCCCc1noc([C@@H](C)[NH2+]CCNC(=O)[C@@H](C)C#N)n1 ZINC001124908627 917759485 /nfs/dbraw/zinc/75/94/85/917759485.db2.gz OHEVHOROEROTAQ-WDEREUQCSA-N 1 2 293.371 1.339 20 30 CDEDLO Cc1nc(NC/C=C\CNC(=O)[C@H](C)C#N)cc[nH+]1 ZINC001107078638 917976365 /nfs/dbraw/zinc/97/63/65/917976365.db2.gz MGVOJOSVHNGXOY-UMBAGQNISA-N 1 2 259.313 1.029 20 30 CDEDLO C[C@H](C(=O)NCCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC001182788718 918148917 /nfs/dbraw/zinc/14/89/17/918148917.db2.gz AMYXZNLCNRRHJJ-LBPRGKRZSA-N 1 2 268.320 1.675 20 30 CDEDLO Cc1nc(NC/C=C\CNC(=O)C#CC2CC2)cc[nH+]1 ZINC001107158728 918229556 /nfs/dbraw/zinc/22/95/56/918229556.db2.gz XVEMHJLGIMTRID-IHWYPQMZSA-N 1 2 270.336 1.283 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)C2(c3ccccc3C#N)CC2)C1 ZINC001183293461 918427593 /nfs/dbraw/zinc/42/75/93/918427593.db2.gz MHVFICHHSHZLEH-CQSZACIVSA-N 1 2 299.374 1.037 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)C2(c3ccccc3C#N)CC2)C1 ZINC001183293461 918427606 /nfs/dbraw/zinc/42/76/06/918427606.db2.gz MHVFICHHSHZLEH-CQSZACIVSA-N 1 2 299.374 1.037 20 30 CDEDLO Cc1ccc(C#N)c(N[C@@H](C)CNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001098006546 936506674 /nfs/dbraw/zinc/50/66/74/936506674.db2.gz IYJKFUZBWNLFQH-NSHDSACASA-N 1 2 298.350 1.144 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000831472779 936512732 /nfs/dbraw/zinc/51/27/32/936512732.db2.gz MWTVVGHMZGRQPW-GFCCVEGCSA-N 1 2 292.358 1.033 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC2CCCC2)C1 ZINC001107706455 918644278 /nfs/dbraw/zinc/64/42/78/918644278.db2.gz QDZKEFLIDBUJGH-INIZCTEOSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CC2CCCC2)C1 ZINC001107706455 918644286 /nfs/dbraw/zinc/64/42/86/918644286.db2.gz QDZKEFLIDBUJGH-INIZCTEOSA-N 1 2 280.412 1.960 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCC)C1 ZINC001107747836 918725691 /nfs/dbraw/zinc/72/56/91/918725691.db2.gz HRHXFMFEHJRTES-HNNXBMFYSA-N 1 2 266.385 1.407 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCC)C1 ZINC001107747836 918725701 /nfs/dbraw/zinc/72/57/01/918725701.db2.gz HRHXFMFEHJRTES-HNNXBMFYSA-N 1 2 266.385 1.407 20 30 CDEDLO C#CC1CCN(C(=O)CCc2ccc(N)[nH+]c2)CC1 ZINC001183935859 918754570 /nfs/dbraw/zinc/75/45/70/918754570.db2.gz JEBNQXOPBBXQGW-UHFFFAOYSA-N 1 2 257.337 1.468 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccncc2F)C1 ZINC001107836055 918858767 /nfs/dbraw/zinc/85/87/67/918858767.db2.gz OUTBXCVWBSLTLL-OAHLLOKOSA-N 1 2 293.342 1.227 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccncc2F)C1 ZINC001107836055 918858777 /nfs/dbraw/zinc/85/87/77/918858777.db2.gz OUTBXCVWBSLTLL-OAHLLOKOSA-N 1 2 293.342 1.227 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nn(C)cc1Cl ZINC001032421064 919111587 /nfs/dbraw/zinc/11/15/87/919111587.db2.gz LZWULAASTPEOPN-UWVGGRQHSA-N 1 2 280.759 1.158 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nn(C)cc1Cl ZINC001032421064 919111600 /nfs/dbraw/zinc/11/16/00/919111600.db2.gz LZWULAASTPEOPN-UWVGGRQHSA-N 1 2 280.759 1.158 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cccc3ccnn32)CC1 ZINC001138807268 936571204 /nfs/dbraw/zinc/57/12/04/936571204.db2.gz BPZBPVNURZONOC-UHFFFAOYSA-N 1 2 254.337 1.085 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2[nH]nc(C)c2c1 ZINC001032514540 919301472 /nfs/dbraw/zinc/30/14/72/919301472.db2.gz UZRCUPFXVLRZTE-KBPBESRZSA-N 1 2 294.358 1.403 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2[nH]nc(C)c2c1 ZINC001032514540 919301489 /nfs/dbraw/zinc/30/14/89/919301489.db2.gz UZRCUPFXVLRZTE-KBPBESRZSA-N 1 2 294.358 1.403 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(CCOC)CC2)C1 ZINC001107988976 919734161 /nfs/dbraw/zinc/73/41/61/919734161.db2.gz MRDGVEYTYYRGSL-OAHLLOKOSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2(CCOC)CC2)C1 ZINC001107988976 919734172 /nfs/dbraw/zinc/73/41/72/919734172.db2.gz MRDGVEYTYYRGSL-OAHLLOKOSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[NH2+]Cc1cnon1 ZINC001128084795 919807579 /nfs/dbraw/zinc/80/75/79/919807579.db2.gz DCTXOZGEYWVIHV-UHFFFAOYSA-N 1 2 264.329 1.044 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C)c2Cl)C1 ZINC001077863559 919824126 /nfs/dbraw/zinc/82/41/26/919824126.db2.gz GBOXCYCQODEXRG-CHWSQXEVSA-N 1 2 292.766 1.057 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C)c2Cl)C1 ZINC001077863559 919824143 /nfs/dbraw/zinc/82/41/43/919824143.db2.gz GBOXCYCQODEXRG-CHWSQXEVSA-N 1 2 292.766 1.057 20 30 CDEDLO C#Cc1cnc(N[C@@H]2CCN(c3cccc[nH+]3)C2)nc1 ZINC000827808255 936608577 /nfs/dbraw/zinc/60/85/77/936608577.db2.gz XROAXTBQHGSHIM-CYBMUJFWSA-N 1 2 265.320 1.544 20 30 CDEDLO C#Cc1cc(Nc2ccc(CN3CCOCC3)nc2)cc[nH+]1 ZINC001203465258 919943610 /nfs/dbraw/zinc/94/36/10/919943610.db2.gz NUJOFGWDEBDJJQ-UHFFFAOYSA-N 1 2 294.358 1.456 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cc(C)n(C)n2)C1=O ZINC001272880766 919958473 /nfs/dbraw/zinc/95/84/73/919958473.db2.gz NFANQROYLITOOF-MRXNPFEDSA-N 1 2 288.395 1.481 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(C)n(C)n2)C1=O ZINC001272880766 919958483 /nfs/dbraw/zinc/95/84/83/919958483.db2.gz NFANQROYLITOOF-MRXNPFEDSA-N 1 2 288.395 1.481 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(COCC)CC2)C1 ZINC001108034183 920176917 /nfs/dbraw/zinc/17/69/17/920176917.db2.gz VBDMKOPKRKLXMS-HNNXBMFYSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(COCC)CC2)C1 ZINC001108034183 920176924 /nfs/dbraw/zinc/17/69/24/920176924.db2.gz VBDMKOPKRKLXMS-HNNXBMFYSA-N 1 2 296.411 1.196 20 30 CDEDLO COc1ccc(NC(=O)NCCn2cc[nH+]c2)cc1C#N ZINC001413624240 936644480 /nfs/dbraw/zinc/64/44/80/936644480.db2.gz UEBIXRYDHMSGEG-UHFFFAOYSA-N 1 2 285.307 1.585 20 30 CDEDLO C=CCn1cc(C[N@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)cn1 ZINC001139768624 936644801 /nfs/dbraw/zinc/64/48/01/936644801.db2.gz RHEOVWPGSSYMDK-BPLDGKMQSA-N 1 2 277.368 1.041 20 30 CDEDLO C=CCn1cc(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)cn1 ZINC001139768624 936644803 /nfs/dbraw/zinc/64/48/03/936644803.db2.gz RHEOVWPGSSYMDK-BPLDGKMQSA-N 1 2 277.368 1.041 20 30 CDEDLO N#Cc1nc[nH]c1NC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190075344 921831879 /nfs/dbraw/zinc/83/18/79/921831879.db2.gz PTAVCBPLQZCLDA-UHFFFAOYSA-N 1 2 278.275 1.719 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)CC(F)F)C1 ZINC001108077893 921924915 /nfs/dbraw/zinc/92/49/15/921924915.db2.gz BRFXABNWXAFOQN-RISCZKNCSA-N 1 2 290.354 1.671 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)CC(F)F)C1 ZINC001108077893 921924926 /nfs/dbraw/zinc/92/49/26/921924926.db2.gz BRFXABNWXAFOQN-RISCZKNCSA-N 1 2 290.354 1.671 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c(F)cc(F)cc2F)CC1 ZINC001140534937 936721636 /nfs/dbraw/zinc/72/16/36/936721636.db2.gz SZUZUZHNPQGHIK-UHFFFAOYSA-N 1 2 268.282 1.855 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3(C)CC3)C[C@@H]21 ZINC001074251787 936735437 /nfs/dbraw/zinc/73/54/37/936735437.db2.gz CKIJNBUYKIOYJF-KBPBESRZSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3(C)CC3)C[C@@H]21 ZINC001074251787 936735439 /nfs/dbraw/zinc/73/54/39/936735439.db2.gz CKIJNBUYKIOYJF-KBPBESRZSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)s2)C1 ZINC001033701630 922319517 /nfs/dbraw/zinc/31/95/17/922319517.db2.gz KIGAOFGVSUSOGT-SNVBAGLBSA-N 1 2 266.341 1.667 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)s2)C1 ZINC001033701630 922319529 /nfs/dbraw/zinc/31/95/29/922319529.db2.gz KIGAOFGVSUSOGT-SNVBAGLBSA-N 1 2 266.341 1.667 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2snnc2C)C1 ZINC001033747085 922345882 /nfs/dbraw/zinc/34/58/82/922345882.db2.gz HRUHWIWAHDTCDH-GFCCVEGCSA-N 1 2 292.408 1.406 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2snnc2C)C1 ZINC001033747085 922345898 /nfs/dbraw/zinc/34/58/98/922345898.db2.gz HRUHWIWAHDTCDH-GFCCVEGCSA-N 1 2 292.408 1.406 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cncnc2)C1 ZINC001033808826 922375852 /nfs/dbraw/zinc/37/58/52/922375852.db2.gz ZITCKVQJQSZLCB-ZDUSSCGKSA-N 1 2 294.786 1.766 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cncnc2)C1 ZINC001033808826 922375868 /nfs/dbraw/zinc/37/58/68/922375868.db2.gz ZITCKVQJQSZLCB-ZDUSSCGKSA-N 1 2 294.786 1.766 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccncn2)C1 ZINC001033987890 922441525 /nfs/dbraw/zinc/44/15/25/922441525.db2.gz AFLUXLFZTDRKMN-GFCCVEGCSA-N 1 2 294.786 1.766 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccncn2)C1 ZINC001033987890 922441533 /nfs/dbraw/zinc/44/15/33/922441533.db2.gz AFLUXLFZTDRKMN-GFCCVEGCSA-N 1 2 294.786 1.766 20 30 CDEDLO N#Cc1ccc(-c2noc(Cn3cc[nH+]c3)n2)nc1 ZINC001212537193 922724467 /nfs/dbraw/zinc/72/44/67/922724467.db2.gz CKJCKQHMXDTGJY-UHFFFAOYSA-N 1 2 252.237 1.248 20 30 CDEDLO CC#CCCCC(=O)NC[C@@]1(C)C[N@H+](CC#CC)CCO1 ZINC001108142688 922742843 /nfs/dbraw/zinc/74/28/43/922742843.db2.gz ZBLBICPTXTZVAL-KRWDZBQOSA-N 1 2 290.407 1.410 20 30 CDEDLO CC#CCCCC(=O)NC[C@@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001108142688 922742852 /nfs/dbraw/zinc/74/28/52/922742852.db2.gz ZBLBICPTXTZVAL-KRWDZBQOSA-N 1 2 290.407 1.410 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001035280812 922954268 /nfs/dbraw/zinc/95/42/68/922954268.db2.gz FSSHLCZLRWTOAH-HUUCEWRRSA-N 1 2 278.396 1.736 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001035280812 922954276 /nfs/dbraw/zinc/95/42/76/922954276.db2.gz FSSHLCZLRWTOAH-HUUCEWRRSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2sc(C)cc2C)C1 ZINC001035381669 922981698 /nfs/dbraw/zinc/98/16/98/922981698.db2.gz RXVGHCOTTLSXHA-CYBMUJFWSA-N 1 2 294.420 1.982 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2sc(C)cc2C)C1 ZINC001035381669 922981706 /nfs/dbraw/zinc/98/17/06/922981706.db2.gz RXVGHCOTTLSXHA-CYBMUJFWSA-N 1 2 294.420 1.982 20 30 CDEDLO CC#CC[N@H+](C)[C@H]1CCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC001192292749 922996620 /nfs/dbraw/zinc/99/66/20/922996620.db2.gz BUHHQDNBRUGCPX-JTQLQIEISA-N 1 2 296.321 1.517 20 30 CDEDLO CC#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC001192292749 922996630 /nfs/dbraw/zinc/99/66/30/922996630.db2.gz BUHHQDNBRUGCPX-JTQLQIEISA-N 1 2 296.321 1.517 20 30 CDEDLO C[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1n1cc[nH+]c1 ZINC000837466775 936844033 /nfs/dbraw/zinc/84/40/33/936844033.db2.gz CCWXBSNKVNVLBW-GXTWGEPZSA-N 1 2 257.337 1.706 20 30 CDEDLO C#C[C@H](CCC)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000923223626 923646015 /nfs/dbraw/zinc/64/60/15/923646015.db2.gz YSCOGIJTDUZVPE-KGLIPLIRSA-N 1 2 281.400 1.198 20 30 CDEDLO Cc1nc(N2CC[C@@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)cc[nH+]1 ZINC001064606576 924070145 /nfs/dbraw/zinc/07/01/45/924070145.db2.gz OMRUCJRISUWDGG-MLGOLLRUSA-N 1 2 299.378 1.374 20 30 CDEDLO C=CCOC(=O)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001194300778 924146253 /nfs/dbraw/zinc/14/62/53/924146253.db2.gz OHFNAAUTHCMQQZ-UHFFFAOYSA-N 1 2 288.307 1.600 20 30 CDEDLO C#CC[C@H]([NH2+][C@@H](C)C1CCSCC1)C(=O)OC ZINC000839167741 936907615 /nfs/dbraw/zinc/90/76/15/936907615.db2.gz HWQPZJSFPGYSCG-JQWIXIFHSA-N 1 2 255.383 1.673 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2sccc2F)[C@H](OC)C1 ZINC001081630931 924772942 /nfs/dbraw/zinc/77/29/42/924772942.db2.gz KLKHPQJBTNHYIC-VXGBXAGGSA-N 1 2 296.367 1.340 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2sccc2F)[C@H](OC)C1 ZINC001081630931 924772949 /nfs/dbraw/zinc/77/29/49/924772949.db2.gz KLKHPQJBTNHYIC-VXGBXAGGSA-N 1 2 296.367 1.340 20 30 CDEDLO C=C(C)CCC(=O)N1CCC[N@@H+](Cc2ccnn2C)CC1 ZINC001196009991 924784785 /nfs/dbraw/zinc/78/47/85/924784785.db2.gz INFKCCHRGGGQNX-UHFFFAOYSA-N 1 2 290.411 1.811 20 30 CDEDLO C=C(C)CCC(=O)N1CCC[N@H+](Cc2ccnn2C)CC1 ZINC001196009991 924784791 /nfs/dbraw/zinc/78/47/91/924784791.db2.gz INFKCCHRGGGQNX-UHFFFAOYSA-N 1 2 290.411 1.811 20 30 CDEDLO C#CCCCC(=O)NC[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001100966566 936950215 /nfs/dbraw/zinc/95/02/15/936950215.db2.gz DXTOVKCKHJOEJM-CQSZACIVSA-N 1 2 286.379 1.531 20 30 CDEDLO Cc1nc(N2CC[C@@H](CNC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001100978862 936951237 /nfs/dbraw/zinc/95/12/37/936951237.db2.gz NGFHNSJXYKKAKL-AWEZNQCLSA-N 1 2 284.363 1.141 20 30 CDEDLO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)C(F)(F)F ZINC001114311707 925039721 /nfs/dbraw/zinc/03/97/21/925039721.db2.gz RUTXBUOFSWXULS-ZDCRXTMVSA-N 1 2 294.292 1.899 20 30 CDEDLO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)C(F)(F)F ZINC001114311707 925039731 /nfs/dbraw/zinc/03/97/31/925039731.db2.gz RUTXBUOFSWXULS-ZDCRXTMVSA-N 1 2 294.292 1.899 20 30 CDEDLO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C(F)(F)F ZINC001114311707 925039741 /nfs/dbraw/zinc/03/97/41/925039741.db2.gz RUTXBUOFSWXULS-ZDCRXTMVSA-N 1 2 294.292 1.899 20 30 CDEDLO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C(F)(F)F ZINC001114311707 925039753 /nfs/dbraw/zinc/03/97/53/925039753.db2.gz RUTXBUOFSWXULS-ZDCRXTMVSA-N 1 2 294.292 1.899 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc3c(s2)CCC3)[C@@H](O)C1 ZINC001084026882 925127083 /nfs/dbraw/zinc/12/70/83/925127083.db2.gz MEOUHXKAOMQNNU-NEPJUHHUSA-N 1 2 292.404 1.198 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc3c(s2)CCC3)[C@@H](O)C1 ZINC001084026882 925127088 /nfs/dbraw/zinc/12/70/88/925127088.db2.gz MEOUHXKAOMQNNU-NEPJUHHUSA-N 1 2 292.404 1.198 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=S)Nc2cccc(C#N)c2)C1 ZINC001197724286 925205350 /nfs/dbraw/zinc/20/53/50/925205350.db2.gz ZVUMIMZCEJTSCU-CYBMUJFWSA-N 1 2 290.392 1.175 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=S)Nc2cccc(C#N)c2)C1 ZINC001197724286 925205356 /nfs/dbraw/zinc/20/53/56/925205356.db2.gz ZVUMIMZCEJTSCU-CYBMUJFWSA-N 1 2 290.392 1.175 20 30 CDEDLO C#C[C@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)[C@@H]1CCCO1 ZINC000775795174 925268004 /nfs/dbraw/zinc/26/80/04/925268004.db2.gz MRXGBVORRAJHMF-HOTGVXAUSA-N 1 2 298.342 1.615 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2ncc(C)s2)C1=O ZINC001273221381 925294754 /nfs/dbraw/zinc/29/47/54/925294754.db2.gz HZJQRDXQCUFSGQ-OAHLLOKOSA-N 1 2 289.404 1.652 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2ncc(C)s2)C1=O ZINC001273221381 925294761 /nfs/dbraw/zinc/29/47/61/925294761.db2.gz HZJQRDXQCUFSGQ-OAHLLOKOSA-N 1 2 289.404 1.652 20 30 CDEDLO C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cncc2nc[nH]c21 ZINC001085206614 925803553 /nfs/dbraw/zinc/80/35/53/925803553.db2.gz DKJOADNLBJHWBN-CHWSQXEVSA-N 1 2 297.362 1.222 20 30 CDEDLO N#CCN[C@@H]1CCCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001085271533 925849885 /nfs/dbraw/zinc/84/98/85/925849885.db2.gz IRFFQPFKDNULIC-CHWSQXEVSA-N 1 2 297.362 1.488 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)o1 ZINC001085469061 926029269 /nfs/dbraw/zinc/02/92/69/926029269.db2.gz HNTLMNRPKJFWIK-CYBMUJFWSA-N 1 2 260.337 1.758 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)o1 ZINC001085469061 926029278 /nfs/dbraw/zinc/02/92/78/926029278.db2.gz HNTLMNRPKJFWIK-CYBMUJFWSA-N 1 2 260.337 1.758 20 30 CDEDLO C#CCN1CC[C@@]2(CCC[N@@H+](CC(F)F)CC2)C1=O ZINC001273845591 926100094 /nfs/dbraw/zinc/10/00/94/926100094.db2.gz YSCIMSUODRRNJB-AWEZNQCLSA-N 1 2 270.323 1.589 20 30 CDEDLO C#CCN1CC[C@@]2(CCC[N@H+](CC(F)F)CC2)C1=O ZINC001273845591 926100100 /nfs/dbraw/zinc/10/01/00/926100100.db2.gz YSCIMSUODRRNJB-AWEZNQCLSA-N 1 2 270.323 1.589 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccncc1F ZINC001085528355 926118493 /nfs/dbraw/zinc/11/84/93/926118493.db2.gz WPAZGYNAWYPBSB-LBPRGKRZSA-N 1 2 275.327 1.390 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccncc1F ZINC001085528355 926118498 /nfs/dbraw/zinc/11/84/98/926118498.db2.gz WPAZGYNAWYPBSB-LBPRGKRZSA-N 1 2 275.327 1.390 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ncccc1C ZINC001085536653 926130328 /nfs/dbraw/zinc/13/03/28/926130328.db2.gz GTSJJRXJKFUVEJ-ZDUSSCGKSA-N 1 2 257.337 1.170 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncccc1C ZINC001085536653 926130333 /nfs/dbraw/zinc/13/03/33/926130333.db2.gz GTSJJRXJKFUVEJ-ZDUSSCGKSA-N 1 2 257.337 1.170 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccsc1C ZINC001085587242 926181839 /nfs/dbraw/zinc/18/18/39/926181839.db2.gz MLRZEIBKTVPQNA-GFCCVEGCSA-N 1 2 262.378 1.836 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccsc1C ZINC001085587242 926181845 /nfs/dbraw/zinc/18/18/45/926181845.db2.gz MLRZEIBKTVPQNA-GFCCVEGCSA-N 1 2 262.378 1.836 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)nc(C)c1 ZINC001085618681 926214873 /nfs/dbraw/zinc/21/48/73/926214873.db2.gz SYXUVAIOQDMCML-OAHLLOKOSA-N 1 2 271.364 1.478 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)nc(C)c1 ZINC001085618681 926214882 /nfs/dbraw/zinc/21/48/82/926214882.db2.gz SYXUVAIOQDMCML-OAHLLOKOSA-N 1 2 271.364 1.478 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccns1 ZINC001085624790 926226495 /nfs/dbraw/zinc/22/64/95/926226495.db2.gz SQWWGRKGOWPLKA-SNVBAGLBSA-N 1 2 251.355 1.475 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccns1 ZINC001085624790 926226503 /nfs/dbraw/zinc/22/65/03/926226503.db2.gz SQWWGRKGOWPLKA-SNVBAGLBSA-N 1 2 251.355 1.475 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc2c1O[C@@H](C)C2 ZINC001085730490 926331015 /nfs/dbraw/zinc/33/10/15/926331015.db2.gz ZMMZYXBHYVFXOO-ZFWWWQNUSA-N 1 2 298.386 1.790 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc2c1O[C@@H](C)C2 ZINC001085730490 926331022 /nfs/dbraw/zinc/33/10/22/926331022.db2.gz ZMMZYXBHYVFXOO-ZFWWWQNUSA-N 1 2 298.386 1.790 20 30 CDEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1CCC ZINC001201636519 926349657 /nfs/dbraw/zinc/34/96/57/926349657.db2.gz BPVNDFACMLOLLE-CYBMUJFWSA-N 1 2 264.373 1.810 20 30 CDEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1CCC ZINC001201636519 926349667 /nfs/dbraw/zinc/34/96/67/926349667.db2.gz BPVNDFACMLOLLE-CYBMUJFWSA-N 1 2 264.373 1.810 20 30 CDEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2[C@H](C)C(=O)OCC ZINC001273908732 926411532 /nfs/dbraw/zinc/41/15/32/926411532.db2.gz WTGFHUKVTFTCBD-CZUORRHYSA-N 1 2 294.395 1.581 20 30 CDEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2[C@H](C)C(=O)OCC ZINC001273908732 926411537 /nfs/dbraw/zinc/41/15/37/926411537.db2.gz WTGFHUKVTFTCBD-CZUORRHYSA-N 1 2 294.395 1.581 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnnc2ccccc21 ZINC001085843376 926443554 /nfs/dbraw/zinc/44/35/54/926443554.db2.gz KLMNJHUIIDFLJV-CYBMUJFWSA-N 1 2 294.358 1.409 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnnc2ccccc21 ZINC001085843376 926443557 /nfs/dbraw/zinc/44/35/57/926443557.db2.gz KLMNJHUIIDFLJV-CYBMUJFWSA-N 1 2 294.358 1.409 20 30 CDEDLO N#CCCC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001143196537 937133647 /nfs/dbraw/zinc/13/36/47/937133647.db2.gz AXYSDVRODBDUMF-UHFFFAOYSA-N 1 2 287.363 1.513 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCn2cccc2)C1 ZINC001108302010 927373548 /nfs/dbraw/zinc/37/35/48/927373548.db2.gz BRNVHUTXDQKTRA-INIZCTEOSA-N 1 2 291.395 1.271 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCn2cccc2)C1 ZINC001108302010 927373555 /nfs/dbraw/zinc/37/35/55/927373555.db2.gz BRNVHUTXDQKTRA-INIZCTEOSA-N 1 2 291.395 1.271 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2c[nH]cc2C)C1 ZINC001108395338 927457538 /nfs/dbraw/zinc/45/75/38/927457538.db2.gz RAAMKGSWRONDPL-OAHLLOKOSA-N 1 2 277.368 1.330 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2c[nH]cc2C)C1 ZINC001108395338 927457543 /nfs/dbraw/zinc/45/75/43/927457543.db2.gz RAAMKGSWRONDPL-OAHLLOKOSA-N 1 2 277.368 1.330 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccc(F)n1 ZINC000851799499 927631957 /nfs/dbraw/zinc/63/19/57/927631957.db2.gz ZOJACODKWDJKDU-UHFFFAOYSA-N 1 2 292.358 1.269 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000852468335 927795006 /nfs/dbraw/zinc/79/50/06/927795006.db2.gz MOOZWIHVSXHNPJ-FZMZJTMJSA-N 1 2 260.312 1.710 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000852468335 927795015 /nfs/dbraw/zinc/79/50/15/927795015.db2.gz MOOZWIHVSXHNPJ-FZMZJTMJSA-N 1 2 260.312 1.710 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1nc(Cl)nc2c1CCCCC2 ZINC001156320039 928042127 /nfs/dbraw/zinc/04/21/27/928042127.db2.gz NJHHYNLMVNADQD-JTQLQIEISA-N 1 2 291.786 1.701 20 30 CDEDLO C=CCN(C(=O)NCc1c[nH+]cn1C)[C@H](C)COC ZINC000854067067 928146086 /nfs/dbraw/zinc/14/60/86/928146086.db2.gz ORVVSYCHJBVVAU-LLVKDONJSA-N 1 2 266.345 1.153 20 30 CDEDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc(CC#N)c([N+](=O)[O-])c1 ZINC001169658457 928302627 /nfs/dbraw/zinc/30/26/27/928302627.db2.gz WWKVVWNQALUDQZ-ZDUSSCGKSA-N 1 2 290.323 1.403 20 30 CDEDLO C[N@H+]1CCOC[C@@H]1CNc1ccc(CC#N)c([N+](=O)[O-])c1 ZINC001169658457 928302643 /nfs/dbraw/zinc/30/26/43/928302643.db2.gz WWKVVWNQALUDQZ-ZDUSSCGKSA-N 1 2 290.323 1.403 20 30 CDEDLO C#C[C@](C)(CC)Nc1[nH+]cnc2[nH]cc([S@](C)=O)c21 ZINC001169690576 928337002 /nfs/dbraw/zinc/33/70/02/928337002.db2.gz XFBCXOYMXMBYHA-YJYMSZOUSA-N 1 2 276.365 1.909 20 30 CDEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C[C@@H](C)CC)CC2=O)C1 ZINC001108538981 928386011 /nfs/dbraw/zinc/38/60/11/928386011.db2.gz RZDSOMIJDQYSRB-QWHCGFSZSA-N 1 2 293.411 1.010 20 30 CDEDLO Cc1nc(NCCCN(C)C(=O)C#CC(C)C)cc[nH+]1 ZINC001109429507 928933026 /nfs/dbraw/zinc/93/30/26/928933026.db2.gz BLSANQZFDGUZRJ-UHFFFAOYSA-N 1 2 274.368 1.705 20 30 CDEDLO CN(CCCNc1ccc(C#N)cn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001109633717 928992921 /nfs/dbraw/zinc/99/29/21/928992921.db2.gz NPMSIBCDNICEBW-UHFFFAOYSA-N 1 2 298.350 1.179 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(C)nc2)CC1 ZINC001112612070 929259177 /nfs/dbraw/zinc/25/91/77/929259177.db2.gz XDQBFHVQKLXDHI-UHFFFAOYSA-N 1 2 289.379 1.350 20 30 CDEDLO Cn1c[nH+]cc1CN1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001112832028 929464894 /nfs/dbraw/zinc/46/48/94/929464894.db2.gz BTLPBFZNNNAXLE-UHFFFAOYSA-N 1 2 288.395 1.114 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000815382692 929999017 /nfs/dbraw/zinc/99/90/17/929999017.db2.gz IQZCHLXHESUDRM-LLVKDONJSA-N 1 2 270.292 1.825 20 30 CDEDLO CCOC(=O)c1cc(C=NNc2[nH+]ccn2C)[nH]c1C ZINC000799487540 937389435 /nfs/dbraw/zinc/38/94/35/937389435.db2.gz SWEDQTHSGWTJOM-UHFFFAOYSA-N 1 2 275.312 1.679 20 30 CDEDLO C#CCC[NH+]1CCN(S(=O)(=O)CC(C)(C)C)CC1 ZINC000799766757 937396064 /nfs/dbraw/zinc/39/60/64/937396064.db2.gz UCTZUIPBYDOWFR-UHFFFAOYSA-N 1 2 272.414 1.003 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)CC1CCC1 ZINC000884464131 930572486 /nfs/dbraw/zinc/57/24/86/930572486.db2.gz DMFRWXIPPYYCQF-PWSUYJOCSA-N 1 2 268.357 1.128 20 30 CDEDLO COc1c(Cl)cccc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000819425314 930805890 /nfs/dbraw/zinc/80/58/90/930805890.db2.gz VBQLTESXQVUQTN-LLVKDONJSA-N 1 2 297.786 1.967 20 30 CDEDLO COc1c(Cl)cccc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000819425314 930805898 /nfs/dbraw/zinc/80/58/98/930805898.db2.gz VBQLTESXQVUQTN-LLVKDONJSA-N 1 2 297.786 1.967 20 30 CDEDLO C=CCC1(O)CC[NH+]([C@H](C)c2nc(C)no2)CC1 ZINC000886761527 930955992 /nfs/dbraw/zinc/95/59/92/930955992.db2.gz FXJSEOWLRYAIEW-SNVBAGLBSA-N 1 2 251.330 1.842 20 30 CDEDLO CC(C)=CCN1CC[C@@]2(CCC[N@@H+]2CCC#N)C1=O ZINC001274030178 931129350 /nfs/dbraw/zinc/12/93/50/931129350.db2.gz FSJSOZPECIVWKN-HNNXBMFYSA-N 1 2 261.369 1.933 20 30 CDEDLO CC(C)=CCN1CC[C@@]2(CCC[N@H+]2CCC#N)C1=O ZINC001274030178 931129352 /nfs/dbraw/zinc/12/93/52/931129352.db2.gz FSJSOZPECIVWKN-HNNXBMFYSA-N 1 2 261.369 1.933 20 30 CDEDLO C#CCN1CC2(CCC1=O)CCN(c1cccc[nH+]1)CC2 ZINC001274739761 931563589 /nfs/dbraw/zinc/56/35/89/931563589.db2.gz MTAYPEIZWVODPZ-UHFFFAOYSA-N 1 2 283.375 1.924 20 30 CDEDLO C=CC[C@H](C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OCC ZINC001144027833 931631429 /nfs/dbraw/zinc/63/14/29/931631429.db2.gz GECWVKKUXRCAHB-JQWIXIFHSA-N 1 2 279.340 1.212 20 30 CDEDLO C=CC[C@H](C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OCC ZINC001144027833 931631430 /nfs/dbraw/zinc/63/14/30/931631430.db2.gz GECWVKKUXRCAHB-JQWIXIFHSA-N 1 2 279.340 1.212 20 30 CDEDLO CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC001144163224 931677886 /nfs/dbraw/zinc/67/78/86/931677886.db2.gz VUTWYRSQXXLJFP-HNNXBMFYSA-N 1 2 286.379 1.834 20 30 CDEDLO CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cn1 ZINC001144163224 931677887 /nfs/dbraw/zinc/67/78/87/931677887.db2.gz VUTWYRSQXXLJFP-HNNXBMFYSA-N 1 2 286.379 1.834 20 30 CDEDLO CCOC(=O)c1[nH]ccc1C[NH+]1CCC(C#N)CC1 ZINC001144329630 931756894 /nfs/dbraw/zinc/75/68/94/931756894.db2.gz ZIOXIUWOLDHSQV-UHFFFAOYSA-N 1 2 261.325 1.927 20 30 CDEDLO C=C(C)CONC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000845601676 931868042 /nfs/dbraw/zinc/86/80/42/931868042.db2.gz RHIUQKFCGGGLFH-GFCCVEGCSA-N 1 2 276.340 1.467 20 30 CDEDLO CCOC(=O)C[N@H+](C)[C@H](C)Cc1cccc(C#N)c1 ZINC001171210069 931970806 /nfs/dbraw/zinc/97/08/06/931970806.db2.gz PXAVLBDJTVUOGC-GFCCVEGCSA-N 1 2 260.337 1.984 20 30 CDEDLO CCOC(=O)C[N@@H+](C)[C@H](C)Cc1cccc(C#N)c1 ZINC001171210069 931970810 /nfs/dbraw/zinc/97/08/10/931970810.db2.gz PXAVLBDJTVUOGC-GFCCVEGCSA-N 1 2 260.337 1.984 20 30 CDEDLO N#Cc1cc(F)cnc1N[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC001160724253 932046847 /nfs/dbraw/zinc/04/68/47/932046847.db2.gz PETSYDZKTQVDGD-UONOGXRCSA-N 1 2 290.342 1.758 20 30 CDEDLO N#CCc1ccccc1C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001412438504 932429935 /nfs/dbraw/zinc/42/99/35/932429935.db2.gz QYECZBHZWUNGBM-UHFFFAOYSA-N 1 2 292.342 1.928 20 30 CDEDLO COc1cc(C[NH+]2CC(O)(C(C)C)C2)ccc1C#N ZINC000234959848 932632970 /nfs/dbraw/zinc/63/29/70/932632970.db2.gz FVYLCXUSCOPUKE-UHFFFAOYSA-N 1 2 260.337 1.770 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)[nH]1 ZINC000927086227 933043834 /nfs/dbraw/zinc/04/38/34/933043834.db2.gz DWZWRTZDAVKUIS-UHFFFAOYSA-N 1 2 295.346 1.998 20 30 CDEDLO COCCN1CC[N@H+](CCCCC2(C#N)CCC2)CC1=O ZINC000930164187 933328628 /nfs/dbraw/zinc/32/86/28/933328628.db2.gz WGBAXLMFCLLQIA-UHFFFAOYSA-N 1 2 293.411 1.641 20 30 CDEDLO COCCN1CC[N@@H+](CCCCC2(C#N)CCC2)CC1=O ZINC000930164187 933328637 /nfs/dbraw/zinc/32/86/37/933328637.db2.gz WGBAXLMFCLLQIA-UHFFFAOYSA-N 1 2 293.411 1.641 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C(F)F)n(C)n2)CC1 ZINC000931344896 933545342 /nfs/dbraw/zinc/54/53/42/933545342.db2.gz TVGZWFHDBAZSPU-UHFFFAOYSA-N 1 2 296.321 1.139 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2nc(-c3ccccc3)c[nH]2)CCCN1O ZINC001119512570 937726719 /nfs/dbraw/zinc/72/67/19/937726719.db2.gz RSEFCIIJTZIKAV-LBPRGKRZSA-N 1 2 286.335 1.547 20 30 CDEDLO C#CCOc1ccc(C(=O)N2CC[NH+](CC=C)CC2)cc1 ZINC000951372557 934671375 /nfs/dbraw/zinc/67/13/75/934671375.db2.gz QHGAYYDRLHOIHI-UHFFFAOYSA-N 1 2 284.359 1.642 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC001038649467 934814685 /nfs/dbraw/zinc/81/46/85/934814685.db2.gz HJCAUFKSAOFLHL-ZFWWWQNUSA-N 1 2 254.333 1.150 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC001038649467 934814688 /nfs/dbraw/zinc/81/46/88/934814688.db2.gz HJCAUFKSAOFLHL-ZFWWWQNUSA-N 1 2 254.333 1.150 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC001006874258 935369192 /nfs/dbraw/zinc/36/91/92/935369192.db2.gz KQSJFUOJZMXQSD-GFCCVEGCSA-N 1 2 277.393 1.669 20 30 CDEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC001006874258 935369194 /nfs/dbraw/zinc/36/91/94/935369194.db2.gz KQSJFUOJZMXQSD-GFCCVEGCSA-N 1 2 277.393 1.669 20 30 CDEDLO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC001008444295 935402754 /nfs/dbraw/zinc/40/27/54/935402754.db2.gz WCGXQAXWCPJAPU-SNVBAGLBSA-N 1 2 266.320 1.319 20 30 CDEDLO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC001008444295 935402755 /nfs/dbraw/zinc/40/27/55/935402755.db2.gz WCGXQAXWCPJAPU-SNVBAGLBSA-N 1 2 266.320 1.319 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cncc(C)c2)C1 ZINC001015408337 935566911 /nfs/dbraw/zinc/56/69/11/935566911.db2.gz PEVAUJNRNATBRQ-AWEZNQCLSA-N 1 2 293.798 1.876 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cncc(C)c2)C1 ZINC001015408337 935566913 /nfs/dbraw/zinc/56/69/13/935566913.db2.gz PEVAUJNRNATBRQ-AWEZNQCLSA-N 1 2 293.798 1.876 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2C)C1 ZINC001015458013 935570474 /nfs/dbraw/zinc/57/04/74/935570474.db2.gz FCVWPARSTOINFT-SNVBAGLBSA-N 1 2 268.748 1.275 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2C)C1 ZINC001015458013 935570477 /nfs/dbraw/zinc/57/04/77/935570477.db2.gz FCVWPARSTOINFT-SNVBAGLBSA-N 1 2 268.748 1.275 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccn1 ZINC001017298390 935634252 /nfs/dbraw/zinc/63/42/52/935634252.db2.gz QZWVBUKCAYNXRC-BETUJISGSA-N 1 2 255.321 1.004 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccn1 ZINC001017298390 935634254 /nfs/dbraw/zinc/63/42/54/935634254.db2.gz QZWVBUKCAYNXRC-BETUJISGSA-N 1 2 255.321 1.004 20 30 CDEDLO CC[C@@H](F)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC001017424101 935638755 /nfs/dbraw/zinc/63/87/55/935638755.db2.gz ZTJXCDWWSHLSQP-LPWJVIDDSA-N 1 2 267.348 1.569 20 30 CDEDLO CC[C@@H](F)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC001017424101 935638757 /nfs/dbraw/zinc/63/87/57/935638757.db2.gz ZTJXCDWWSHLSQP-LPWJVIDDSA-N 1 2 267.348 1.569 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ncccc1F ZINC001017852729 935651244 /nfs/dbraw/zinc/65/12/44/935651244.db2.gz CURLKZKCAVIHQW-BETUJISGSA-N 1 2 287.338 1.072 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ncccc1F ZINC001017852729 935651251 /nfs/dbraw/zinc/65/12/51/935651251.db2.gz CURLKZKCAVIHQW-BETUJISGSA-N 1 2 287.338 1.072 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cc(C)on1 ZINC001017933754 935655161 /nfs/dbraw/zinc/65/51/61/935655161.db2.gz XMFZEGZSYUEHMB-GASCZTMLSA-N 1 2 287.363 1.224 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cc(C)on1 ZINC001017933754 935655164 /nfs/dbraw/zinc/65/51/64/935655164.db2.gz XMFZEGZSYUEHMB-GASCZTMLSA-N 1 2 287.363 1.224 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001018048415 935659067 /nfs/dbraw/zinc/65/90/67/935659067.db2.gz HBINHFJKGAIAHS-XUWVNRHRSA-N 1 2 272.392 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001018048415 935659068 /nfs/dbraw/zinc/65/90/68/935659068.db2.gz HBINHFJKGAIAHS-XUWVNRHRSA-N 1 2 272.392 1.731 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n(C)c1C ZINC001018252043 935663112 /nfs/dbraw/zinc/66/31/12/935663112.db2.gz NBQOPKMMTMNVGQ-IYBDPMFKSA-N 1 2 299.418 1.954 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n(C)c1C ZINC001018252043 935663115 /nfs/dbraw/zinc/66/31/15/935663115.db2.gz NBQOPKMMTMNVGQ-IYBDPMFKSA-N 1 2 299.418 1.954 20 30 CDEDLO N#Cc1cccc(NC(=O)NC2CN(c3cccc[nH+]3)C2)c1 ZINC001202799437 935716968 /nfs/dbraw/zinc/71/69/68/935716968.db2.gz QBGBQHWVRBZCBM-UHFFFAOYSA-N 1 2 293.330 1.964 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC001038440745 935745101 /nfs/dbraw/zinc/74/51/01/935745101.db2.gz IDGFQXIYHWOIRF-CQSZACIVSA-N 1 2 271.364 1.526 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC001038440745 935745104 /nfs/dbraw/zinc/74/51/04/935745104.db2.gz IDGFQXIYHWOIRF-CQSZACIVSA-N 1 2 271.364 1.526 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cncc(OC(C)C)c1 ZINC001038592011 935749929 /nfs/dbraw/zinc/74/99/29/935749929.db2.gz INNQFFVSXGFIDQ-AWEZNQCLSA-N 1 2 287.363 1.306 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cncc(OC(C)C)c1 ZINC001038592011 935749934 /nfs/dbraw/zinc/74/99/34/935749934.db2.gz INNQFFVSXGFIDQ-AWEZNQCLSA-N 1 2 287.363 1.306 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)c(F)cc1F ZINC001038640466 935751945 /nfs/dbraw/zinc/75/19/45/935751945.db2.gz WKOAVNHJKKKMLY-SNVBAGLBSA-N 1 2 296.292 1.931 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)c(F)cc1F ZINC001038640466 935751947 /nfs/dbraw/zinc/75/19/47/935751947.db2.gz WKOAVNHJKKKMLY-SNVBAGLBSA-N 1 2 296.292 1.931 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(OCC)c1 ZINC001038747585 935755710 /nfs/dbraw/zinc/75/57/10/935755710.db2.gz MBNBORHVWXASEE-CQSZACIVSA-N 1 2 272.348 1.523 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(OCC)c1 ZINC001038747585 935755711 /nfs/dbraw/zinc/75/57/11/935755711.db2.gz MBNBORHVWXASEE-CQSZACIVSA-N 1 2 272.348 1.523 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2ccccc2C1 ZINC001038754956 935755737 /nfs/dbraw/zinc/75/57/37/935755737.db2.gz MMDWUMNHYIWVKH-IRXDYDNUSA-N 1 2 282.387 1.615 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2ccccc2C1 ZINC001038754956 935755738 /nfs/dbraw/zinc/75/57/38/935755738.db2.gz MMDWUMNHYIWVKH-IRXDYDNUSA-N 1 2 282.387 1.615 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2scnc2c1 ZINC001038879265 935760788 /nfs/dbraw/zinc/76/07/88/935760788.db2.gz SXHPJWXAWFECLX-GFCCVEGCSA-N 1 2 285.372 1.734 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2scnc2c1 ZINC001038879265 935760791 /nfs/dbraw/zinc/76/07/91/935760791.db2.gz SXHPJWXAWFECLX-GFCCVEGCSA-N 1 2 285.372 1.734 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn([C@@H](C)CC)c1C ZINC001038901493 935762096 /nfs/dbraw/zinc/76/20/96/935762096.db2.gz UZWJWQYWOMBNQI-JSGCOSHPSA-N 1 2 288.395 1.600 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn([C@@H](C)CC)c1C ZINC001038901493 935762097 /nfs/dbraw/zinc/76/20/97/935762097.db2.gz UZWJWQYWOMBNQI-JSGCOSHPSA-N 1 2 288.395 1.600 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(-c2ccccc2)n1 ZINC001039005266 935765333 /nfs/dbraw/zinc/76/53/33/935765333.db2.gz JIMBBUGPQJTDDO-AWEZNQCLSA-N 1 2 297.362 1.257 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(-c2ccccc2)n1 ZINC001039005266 935765335 /nfs/dbraw/zinc/76/53/35/935765335.db2.gz JIMBBUGPQJTDDO-AWEZNQCLSA-N 1 2 297.362 1.257 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2oc(C)cc2C)C1 ZINC001042591322 935825421 /nfs/dbraw/zinc/82/54/21/935825421.db2.gz MSAXSIWGCCJQKW-UHFFFAOYSA-N 1 2 260.337 1.676 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3cccnc3n2)C1 ZINC001042757639 935828821 /nfs/dbraw/zinc/82/88/21/935828821.db2.gz DITUQJGPPWNGKX-UHFFFAOYSA-N 1 2 294.358 1.409 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC001042877160 935830459 /nfs/dbraw/zinc/83/04/59/935830459.db2.gz KZVATKHPHKAPDI-UHFFFAOYSA-N 1 2 297.362 1.414 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ncn3ccc(C)cc23)C1 ZINC001043171674 935834791 /nfs/dbraw/zinc/83/47/91/935834791.db2.gz GQHGQKXVMDWKOA-UHFFFAOYSA-N 1 2 298.390 1.975 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ncccc2CC)C1 ZINC001043179054 935835096 /nfs/dbraw/zinc/83/50/96/935835096.db2.gz KYFMHGZGCPFTLS-UHFFFAOYSA-N 1 2 273.380 1.976 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2nc(C)c(C)nc2C)C1 ZINC001043285381 935835712 /nfs/dbraw/zinc/83/57/12/935835712.db2.gz ZZQMVPMKVFTJEI-UHFFFAOYSA-N 1 2 288.395 1.734 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(C)noc2C2CC2)C1 ZINC001043371629 935837488 /nfs/dbraw/zinc/83/74/88/935837488.db2.gz YUCRIUUWJKGINH-UHFFFAOYSA-N 1 2 287.363 1.640 20 30 CDEDLO Cc1cc(C)c(C(=O)N(C)C2CN(CC#N)C2)c(C)[nH+]1 ZINC001043412026 935838528 /nfs/dbraw/zinc/83/85/28/935838528.db2.gz VXTMTZPCCCTMNI-UHFFFAOYSA-N 1 2 272.352 1.287 20 30 CDEDLO C#CCOc1ncccc1C(=O)N(C)C1C[NH+](CC(=C)C)C1 ZINC001044201879 935853891 /nfs/dbraw/zinc/85/38/91/935853891.db2.gz HWKMIRABCSJVCK-UHFFFAOYSA-N 1 2 299.374 1.426 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC001044297192 935857277 /nfs/dbraw/zinc/85/72/77/935857277.db2.gz CUOGXWAEBNIOLJ-UHFFFAOYSA-N 1 2 297.362 1.046 20 30 CDEDLO C#CCCCC(=O)N1C[C@H](Nc2cc[nH+]c(C)n2)C[C@H]1C ZINC001123224994 936128998 /nfs/dbraw/zinc/12/89/98/936128998.db2.gz UUCYIDAFYKVZNB-TZMCWYRMSA-N 1 2 286.379 1.990 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCO1)C2 ZINC001096770547 936220661 /nfs/dbraw/zinc/22/06/61/936220661.db2.gz NLIPEUSOBREERC-FVCCEPFGSA-N 1 2 284.787 1.639 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCO1)C2 ZINC001096770547 936220665 /nfs/dbraw/zinc/22/06/65/936220665.db2.gz NLIPEUSOBREERC-FVCCEPFGSA-N 1 2 284.787 1.639 20 30 CDEDLO C=CCCOCC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001096943869 936245859 /nfs/dbraw/zinc/24/58/59/936245859.db2.gz KXKZKYPLNFTJBW-ZDUSSCGKSA-N 1 2 290.367 1.391 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(OC)ns1)C2 ZINC001097097226 936268313 /nfs/dbraw/zinc/26/83/13/936268313.db2.gz MPMHUBRNYCVYGE-MXWKQRLJSA-N 1 2 291.376 1.120 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(OC)ns1)C2 ZINC001097097226 936268315 /nfs/dbraw/zinc/26/83/15/936268315.db2.gz MPMHUBRNYCVYGE-MXWKQRLJSA-N 1 2 291.376 1.120 20 30 CDEDLO CCCCN(CC#N)C(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156969778 938440925 /nfs/dbraw/zinc/44/09/25/938440925.db2.gz KAIURMVFCSREML-UHFFFAOYSA-N 1 2 271.324 1.911 20 30 CDEDLO N#Cc1ccc(CNC(=O)c2ccc3[nH+]c(N)[nH]c3c2)cn1 ZINC001156977091 938442096 /nfs/dbraw/zinc/44/20/96/938442096.db2.gz MZNREMWRHFFYLR-UHFFFAOYSA-N 1 2 292.302 1.342 20 30 CDEDLO CN(C)C(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1ccccc1C#N ZINC001278239218 945197274 /nfs/dbraw/zinc/19/72/74/945197274.db2.gz ITUUWQCOXNBVMZ-ZBFHGGJFSA-N 1 2 269.348 1.611 20 30 CDEDLO CN(C)C(=O)[C@]12C[C@H]1CC[N@H+]2Cc1ccccc1C#N ZINC001278239218 945197279 /nfs/dbraw/zinc/19/72/79/945197279.db2.gz ITUUWQCOXNBVMZ-ZBFHGGJFSA-N 1 2 269.348 1.611 20 30 CDEDLO CC(C)(C)C#CCNc1cc(N2CCOCC2)nc[nH+]1 ZINC001160392827 938784020 /nfs/dbraw/zinc/78/40/20/938784020.db2.gz IKCKANYDQYQABN-UHFFFAOYSA-N 1 2 274.368 1.775 20 30 CDEDLO CC(C)(C)C#CCNc1cc(N2CCOCC2)[nH+]cn1 ZINC001160392827 938784022 /nfs/dbraw/zinc/78/40/22/938784022.db2.gz IKCKANYDQYQABN-UHFFFAOYSA-N 1 2 274.368 1.775 20 30 CDEDLO N#Cc1c(F)ccnc1NC1CN(c2cccc[nH+]2)C1 ZINC001161320509 938888680 /nfs/dbraw/zinc/88/86/80/938888680.db2.gz JBZMAOPFZHFCAQ-UHFFFAOYSA-N 1 2 269.283 1.788 20 30 CDEDLO CC(C)(C)[NH+]1CC(Nc2nc(C#N)c(C#N)nc2Cl)C1 ZINC001162222094 938964024 /nfs/dbraw/zinc/96/40/24/938964024.db2.gz ZSCJOICNKRMBSK-UHFFFAOYSA-N 1 2 290.758 1.768 20 30 CDEDLO Cc1cc(CNC(=O)c2cccc(C#CCO)c2)cc(C)[nH+]1 ZINC001162230055 938966443 /nfs/dbraw/zinc/96/64/43/938966443.db2.gz YLPMJIOLFJXABI-UHFFFAOYSA-N 1 2 294.354 1.972 20 30 CDEDLO C=CCc1c(Cl)ncnc1NC[C@@H]1C[N@H+](C)CCO1 ZINC001162680141 939114330 /nfs/dbraw/zinc/11/43/30/939114330.db2.gz GSIREWBVULDDAH-SNVBAGLBSA-N 1 2 282.775 1.601 20 30 CDEDLO C=CCc1c(Cl)ncnc1NC[C@@H]1C[N@@H+](C)CCO1 ZINC001162680141 939114331 /nfs/dbraw/zinc/11/43/31/939114331.db2.gz GSIREWBVULDDAH-SNVBAGLBSA-N 1 2 282.775 1.601 20 30 CDEDLO N#CCc1ccc[nH+]c1NCCNC(=O)c1ccncc1 ZINC001163965042 939364297 /nfs/dbraw/zinc/36/42/97/939364297.db2.gz RRDABGMLMLVBIH-UHFFFAOYSA-N 1 2 281.319 1.385 20 30 CDEDLO N#CCc1ccc[nH+]c1NCCCc1c[nH][nH]c1=O ZINC001164370546 939465727 /nfs/dbraw/zinc/46/57/27/939465727.db2.gz GTZGUCKZXYJWHV-LLVKDONJSA-N 1 2 257.297 1.072 20 30 CDEDLO COc1cc(Cl)ncc1N1CC[NH2+]C[C@H]1C#N ZINC001164642303 939501295 /nfs/dbraw/zinc/50/12/95/939501295.db2.gz UOZNKZWVAIBOBS-MRVPVSSYSA-N 1 2 252.705 1.045 20 30 CDEDLO Cc1nc(-c2ccccn2)nc(N2CC[NH2+]C[C@H]2C#N)c1C ZINC001164660349 939502903 /nfs/dbraw/zinc/50/29/03/939502903.db2.gz CDFZAAUVQCNAPQ-CYBMUJFWSA-N 1 2 294.362 1.457 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccc(OC(C)=O)c(OC)c1 ZINC001203833956 939706863 /nfs/dbraw/zinc/70/68/63/939706863.db2.gz AVZSBNUZEMEKRM-UHFFFAOYSA-N 1 2 271.316 1.689 20 30 CDEDLO C#Cc1cnc(Nc2ccn3cc[nH+]c3c2)c(C#C)n1 ZINC001204966814 939809246 /nfs/dbraw/zinc/80/92/46/939809246.db2.gz YLEDSSFYJPLQBS-UHFFFAOYSA-N 1 2 259.272 1.831 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)OC)C1 ZINC001206297042 940013616 /nfs/dbraw/zinc/01/36/16/940013616.db2.gz VZEXHAGXMSFFRH-DVVUODLYSA-N 1 2 260.765 1.210 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)OC)C1 ZINC001206297042 940013619 /nfs/dbraw/zinc/01/36/19/940013619.db2.gz VZEXHAGXMSFFRH-DVVUODLYSA-N 1 2 260.765 1.210 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)OC)C1 ZINC001206447006 940041272 /nfs/dbraw/zinc/04/12/72/940041272.db2.gz DFFSMWCRUNHWAG-YUSALJHKSA-N 1 2 274.792 1.600 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)OC)C1 ZINC001206447006 940041276 /nfs/dbraw/zinc/04/12/76/940041276.db2.gz DFFSMWCRUNHWAG-YUSALJHKSA-N 1 2 274.792 1.600 20 30 CDEDLO CCCCCCCCS(=O)(=O)N1CC[NH2+]C[C@H](F)C1 ZINC001238986731 945297948 /nfs/dbraw/zinc/29/79/48/945297948.db2.gz BMLIYZFRAVVRIT-ZDUSSCGKSA-N 1 2 294.436 1.920 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)Cc2ncn(C)c21 ZINC001207105150 940149854 /nfs/dbraw/zinc/14/98/54/940149854.db2.gz QXVOWGVEMZLTFC-CYBMUJFWSA-N 1 2 299.378 1.376 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)Cc2ncn(C)c21 ZINC001207105150 940149858 /nfs/dbraw/zinc/14/98/58/940149858.db2.gz QXVOWGVEMZLTFC-CYBMUJFWSA-N 1 2 299.378 1.376 20 30 CDEDLO C#CCCCC(=O)N1CCC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001207934658 940266502 /nfs/dbraw/zinc/26/65/02/940266502.db2.gz HIJDICKSYYEZIK-GFCCVEGCSA-N 1 2 292.408 1.422 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(C(=O)OC)cc2)CC1 ZINC000089944920 940384924 /nfs/dbraw/zinc/38/49/24/940384924.db2.gz BEGUSNNVYSXAAA-UHFFFAOYSA-N 1 2 272.348 1.224 20 30 CDEDLO C=CCN(CC[N@@H+]1CCCCC12COC2)C(=O)OCC ZINC001209022747 940423642 /nfs/dbraw/zinc/42/36/42/940423642.db2.gz SNHGXLDCCHJHGE-UHFFFAOYSA-N 1 2 282.384 1.886 20 30 CDEDLO C=CCN(CC[N@H+]1CCCCC12COC2)C(=O)OCC ZINC001209022747 940423645 /nfs/dbraw/zinc/42/36/45/940423645.db2.gz SNHGXLDCCHJHGE-UHFFFAOYSA-N 1 2 282.384 1.886 20 30 CDEDLO C=CCN1CC[NH+](Cc2c(C)nc3ccccn32)CC1 ZINC001209648552 940622823 /nfs/dbraw/zinc/62/28/23/940622823.db2.gz VCCPJWFTRLTCGI-UHFFFAOYSA-N 1 2 270.380 1.946 20 30 CDEDLO C=CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001214301587 940813478 /nfs/dbraw/zinc/81/34/78/940813478.db2.gz FQYUAHVULJFWEM-ZYHUDNBSSA-N 1 2 278.356 1.281 20 30 CDEDLO CC(C)C#CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnsn2)C1 ZINC001214582013 940831624 /nfs/dbraw/zinc/83/16/24/940831624.db2.gz DXOGYBJEHNLOND-DGCLKSJQSA-N 1 2 292.408 1.134 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC(C)(C)CC)[C@H]2C1 ZINC001217975993 941033468 /nfs/dbraw/zinc/03/34/68/941033468.db2.gz IKFKCQAHYAVJGX-UONOGXRCSA-N 1 2 278.396 1.358 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC(C)(C)CC)[C@H]2C1 ZINC001217975993 941033472 /nfs/dbraw/zinc/03/34/72/941033472.db2.gz IKFKCQAHYAVJGX-UONOGXRCSA-N 1 2 278.396 1.358 20 30 CDEDLO C=C1CC[NH2+]C[C@@H]1Oc1[nH]c(=O)nc2ccccc21 ZINC001218203794 941043799 /nfs/dbraw/zinc/04/37/99/941043799.db2.gz ILHVFNMRSRFCKH-LBPRGKRZSA-N 1 2 257.293 1.632 20 30 CDEDLO O=C1C=CC(=O)c2c(O[C@@H]3C[NH2+]CC3(F)F)ccc(O)c21 ZINC001218236469 941048276 /nfs/dbraw/zinc/04/82/76/941048276.db2.gz QMPIQPSHTUPBCX-LLVKDONJSA-N 1 2 295.241 1.313 20 30 CDEDLO C[C@H](C#N)c1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC001218871043 941282425 /nfs/dbraw/zinc/28/24/25/941282425.db2.gz GALOLPOUNPDZPK-MFKMUULPSA-N 1 2 259.309 1.241 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001222071504 941559742 /nfs/dbraw/zinc/55/97/42/941559742.db2.gz BMSZRIGYWYIRAF-YNEHKIRRSA-N 1 2 270.348 1.080 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001222071504 941559745 /nfs/dbraw/zinc/55/97/45/941559745.db2.gz BMSZRIGYWYIRAF-YNEHKIRRSA-N 1 2 270.348 1.080 20 30 CDEDLO COc1cccc(CC#N)c1O[C@@H](C)C[NH+]1CCOCC1 ZINC001225842665 941920462 /nfs/dbraw/zinc/92/04/62/941920462.db2.gz KEKCGEUOTZNQKO-ZDUSSCGKSA-N 1 2 290.363 1.861 20 30 CDEDLO COc1ccnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001226823017 942077269 /nfs/dbraw/zinc/07/72/69/942077269.db2.gz JPIKFSNRAIXAFK-GQTXGERZSA-N 1 2 262.309 1.081 20 30 CDEDLO COc1ccnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001226823017 942077277 /nfs/dbraw/zinc/07/72/77/942077277.db2.gz JPIKFSNRAIXAFK-GQTXGERZSA-N 1 2 262.309 1.081 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)OCCC(C)C ZINC001316611551 942587115 /nfs/dbraw/zinc/58/71/15/942587115.db2.gz ULADHJARQHWJLM-GJZGRUSLSA-N 1 2 280.412 1.604 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)OCCC(C)C ZINC001316611551 942587118 /nfs/dbraw/zinc/58/71/18/942587118.db2.gz ULADHJARQHWJLM-GJZGRUSLSA-N 1 2 280.412 1.604 20 30 CDEDLO CO[C@H](C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230538226 942634030 /nfs/dbraw/zinc/63/40/30/942634030.db2.gz QWBBMJKLKOCRCJ-UKRRQHHQSA-N 1 2 293.411 1.638 20 30 CDEDLO CO[C@H](C)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001230538226 942634035 /nfs/dbraw/zinc/63/40/35/942634035.db2.gz QWBBMJKLKOCRCJ-UKRRQHHQSA-N 1 2 293.411 1.638 20 30 CDEDLO Cc1noc(C)c1C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231248397 942833207 /nfs/dbraw/zinc/83/32/07/942833207.db2.gz VRSZPCVLFYUEME-GWCFXTLKSA-N 1 2 290.367 1.484 20 30 CDEDLO Cc1noc(C)c1C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231248397 942833212 /nfs/dbraw/zinc/83/32/12/942833212.db2.gz VRSZPCVLFYUEME-GWCFXTLKSA-N 1 2 290.367 1.484 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cncs1 ZINC001231292226 942845660 /nfs/dbraw/zinc/84/56/60/942845660.db2.gz BOYCZLQCIUQOEP-MNOVXSKESA-N 1 2 278.381 1.335 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cncs1 ZINC001231292226 942845661 /nfs/dbraw/zinc/84/56/61/942845661.db2.gz BOYCZLQCIUQOEP-MNOVXSKESA-N 1 2 278.381 1.335 20 30 CDEDLO N#CCC[N@H+](Cc1ccccc1)Cc1c[nH]c(=O)[nH]c1=O ZINC001231702518 942983582 /nfs/dbraw/zinc/98/35/82/942983582.db2.gz XPNAFSIHKVMJIW-UHFFFAOYSA-N 1 2 284.319 1.804 20 30 CDEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1c[nH]c(=O)[nH]c1=O ZINC001231702518 942983587 /nfs/dbraw/zinc/98/35/87/942983587.db2.gz XPNAFSIHKVMJIW-UHFFFAOYSA-N 1 2 284.319 1.804 20 30 CDEDLO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232674075 943357707 /nfs/dbraw/zinc/35/77/07/943357707.db2.gz RJLRESRXRZXUCT-AAEUAGOBSA-N 1 2 260.337 1.857 20 30 CDEDLO C[C@H]1CC[C@H](CO)C[N@H+]1Cc1cc(C#N)ccc1O ZINC001232674075 943357711 /nfs/dbraw/zinc/35/77/11/943357711.db2.gz RJLRESRXRZXUCT-AAEUAGOBSA-N 1 2 260.337 1.857 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c1 ZINC001232677910 943358724 /nfs/dbraw/zinc/35/87/24/943358724.db2.gz RSTNLIVVLAGMOW-KRWDZBQOSA-N 1 2 299.374 1.899 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c1 ZINC001232677910 943358728 /nfs/dbraw/zinc/35/87/28/943358728.db2.gz RSTNLIVVLAGMOW-KRWDZBQOSA-N 1 2 299.374 1.899 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3ccncn3)CC2)s1 ZINC001232846550 943418276 /nfs/dbraw/zinc/41/82/76/943418276.db2.gz JLKHKKBTSNNLCW-UHFFFAOYSA-N 1 2 285.376 1.732 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(Br)co2)CC1 ZINC001232857462 943421112 /nfs/dbraw/zinc/42/11/12/943421112.db2.gz QWLSGDSRPXOKOH-UHFFFAOYSA-N 1 2 283.169 1.793 20 30 CDEDLO COc1cccc(O[C@H]2CC[N@H+](Cc3[nH]ccc3C#N)C2)n1 ZINC001233049257 943476075 /nfs/dbraw/zinc/47/60/75/943476075.db2.gz LOLTWIZVKNBZRC-ZDUSSCGKSA-N 1 2 298.346 1.943 20 30 CDEDLO COc1cccc(O[C@H]2CC[N@@H+](Cc3[nH]ccc3C#N)C2)n1 ZINC001233049257 943476078 /nfs/dbraw/zinc/47/60/78/943476078.db2.gz LOLTWIZVKNBZRC-ZDUSSCGKSA-N 1 2 298.346 1.943 20 30 CDEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)[C@H]1C[C@@H]1C ZINC001233492444 943600720 /nfs/dbraw/zinc/60/07/20/943600720.db2.gz WTJARBWVMOTTCH-ONGXEEELSA-N 1 2 289.217 1.989 20 30 CDEDLO C=C(Br)C[N@H+](C)CCCNC(=O)[C@H]1C[C@@H]1C ZINC001233492444 943600721 /nfs/dbraw/zinc/60/07/21/943600721.db2.gz WTJARBWVMOTTCH-ONGXEEELSA-N 1 2 289.217 1.989 20 30 CDEDLO C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC[N@@H+]2C)n1C ZINC001262858302 943703929 /nfs/dbraw/zinc/70/39/29/943703929.db2.gz YSLWSQAUUZRTTI-QWRGUYRKSA-N 1 2 262.361 1.320 20 30 CDEDLO C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC[N@H+]2C)n1C ZINC001262858302 943703933 /nfs/dbraw/zinc/70/39/33/943703933.db2.gz YSLWSQAUUZRTTI-QWRGUYRKSA-N 1 2 262.361 1.320 20 30 CDEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccccn1 ZINC001234118546 943746162 /nfs/dbraw/zinc/74/61/62/943746162.db2.gz JNIZUTLRCLLGKP-MRXNPFEDSA-N 1 2 285.391 1.774 20 30 CDEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccccn1 ZINC001234118546 943746165 /nfs/dbraw/zinc/74/61/65/943746165.db2.gz JNIZUTLRCLLGKP-MRXNPFEDSA-N 1 2 285.391 1.774 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)CC#N ZINC000383102755 943954090 /nfs/dbraw/zinc/95/40/90/943954090.db2.gz CEKDDSPXWGVBAO-CYBMUJFWSA-N 1 2 293.392 1.046 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)CC#N ZINC000383102755 943954092 /nfs/dbraw/zinc/95/40/92/943954092.db2.gz CEKDDSPXWGVBAO-CYBMUJFWSA-N 1 2 293.392 1.046 20 30 CDEDLO COC1(CC(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3CCC#N)CCC1 ZINC001277936817 944117489 /nfs/dbraw/zinc/11/74/89/944117489.db2.gz QERPFZKXLXNFKG-KBPBESRZSA-N 1 2 291.395 1.534 20 30 CDEDLO COC1(CC(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3CCC#N)CCC1 ZINC001277936817 944117492 /nfs/dbraw/zinc/11/74/92/944117492.db2.gz QERPFZKXLXNFKG-KBPBESRZSA-N 1 2 291.395 1.534 20 30 CDEDLO COCCOCN1CCC[C@@]2(CCC[N@H+](CCC#N)C2)C1 ZINC001277938708 944130083 /nfs/dbraw/zinc/13/00/83/944130083.db2.gz DNUXVBBQDJARON-MRXNPFEDSA-N 1 2 295.427 1.699 20 30 CDEDLO COCCOCN1CCC[C@@]2(CCC[N@@H+](CCC#N)C2)C1 ZINC001277938708 944130086 /nfs/dbraw/zinc/13/00/86/944130086.db2.gz DNUXVBBQDJARON-MRXNPFEDSA-N 1 2 295.427 1.699 20 30 CDEDLO CC(=O)NC1C[NH+](Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237471662 944802002 /nfs/dbraw/zinc/80/20/02/944802002.db2.gz WKOWISWUWXMQBY-UHFFFAOYSA-N 1 2 282.347 1.370 20 30 CDEDLO COC(=O)c1cc(C[NH+]2CCC(CC#N)CC2)nn1C ZINC001237569663 944852553 /nfs/dbraw/zinc/85/25/53/944852553.db2.gz WEDZCQFQQBQPMH-UHFFFAOYSA-N 1 2 276.340 1.332 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c(F)c(OC)ccc2OC)CC1 ZINC001237582374 944854791 /nfs/dbraw/zinc/85/47/91/944854791.db2.gz ZPIXPGWSZIZAOL-UHFFFAOYSA-N 1 2 292.354 1.594 20 30 CDEDLO C=CCS(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001259932835 945719715 /nfs/dbraw/zinc/71/97/15/945719715.db2.gz ZIINMBPQUCJKKI-UHFFFAOYSA-N 1 2 277.349 1.478 20 30 CDEDLO C=CC[C@@H]1NC(=O)N(Cc2c[nH+]c(C)cc2C)C1=O ZINC001261384145 946088898 /nfs/dbraw/zinc/08/88/98/946088898.db2.gz HCZXDVJBMJNZPW-LBPRGKRZSA-N 1 2 259.309 1.695 20 30 CDEDLO N#Cc1ccc(-c2ccc(C[NH+]3CCOCC3)cn2)cn1 ZINC001241412575 946252738 /nfs/dbraw/zinc/25/27/38/946252738.db2.gz UWQSFHWIQFFSMD-UHFFFAOYSA-N 1 2 280.331 1.847 20 30 CDEDLO COC(=O)c1c[nH]c2nc(-c3cncc(C#N)c3)[nH+]cc21 ZINC001242271760 946650571 /nfs/dbraw/zinc/65/05/71/946650571.db2.gz QYTWWJDTIZMHCW-UHFFFAOYSA-N 1 2 279.259 1.630 20 30 CDEDLO COC(=O)[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C1CCOCC1 ZINC001254637433 947564640 /nfs/dbraw/zinc/56/46/40/947564640.db2.gz PCJCTSAOKZPNCV-KGYLQXTDSA-N 1 2 266.341 1.236 20 30 CDEDLO CCn1nnc2c1[C@H](COC)C[N@@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC001254659403 947575132 /nfs/dbraw/zinc/57/51/32/947575132.db2.gz PEUONXBMMAQSNN-FRRDWIJNSA-N 1 2 289.383 1.536 20 30 CDEDLO CCn1nnc2c1[C@H](COC)C[N@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC001254659403 947575133 /nfs/dbraw/zinc/57/51/33/947575133.db2.gz PEUONXBMMAQSNN-FRRDWIJNSA-N 1 2 289.383 1.536 20 30 CDEDLO C=C[C@H]1C[C@]1([NH2+]C1CCSCC1)C(=O)OCC ZINC001255081900 947720749 /nfs/dbraw/zinc/72/07/49/947720749.db2.gz CKDSYFHGLURFME-GXFFZTMASA-N 1 2 255.383 1.979 20 30 CDEDLO CCCCCCCC[C@@H](O)CN1CC[NH2+]C[C@@H]1C#N ZINC001246035326 947913972 /nfs/dbraw/zinc/91/39/72/947913972.db2.gz OZYHUZULNYZWQY-LSDHHAIUSA-N 1 2 267.417 1.895 20 30 CDEDLO C=CCCNC(=S)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001247679337 948703174 /nfs/dbraw/zinc/70/31/74/948703174.db2.gz IUWVDNZWPYKDJT-GFCCVEGCSA-N 1 2 276.409 1.701 20 30 CDEDLO CCc1cc(C#N)ccc1C[NH+]1CC2(C1)CS(=O)C2 ZINC001248748572 949123133 /nfs/dbraw/zinc/12/31/33/949123133.db2.gz OEYMEVVOCBPTFA-UHFFFAOYSA-N 1 2 274.389 1.685 20 30 CDEDLO C#CCc1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001249949455 949902302 /nfs/dbraw/zinc/90/23/02/949902302.db2.gz KNBZADJYFYUOAT-UHFFFAOYSA-N 1 2 263.312 1.712 20 30 CDEDLO Cc1ccc(C)c(NC[C@@H](O)C[NH+]2CCOCC2)c1C#N ZINC001251034137 950568065 /nfs/dbraw/zinc/56/80/65/950568065.db2.gz PYUOFNAVQVREQS-CQSZACIVSA-N 1 2 289.379 1.280 20 30 CDEDLO C=CCOC[C@@H](O)CNc1cc(Cl)c2[nH+]ccn2c1 ZINC001252455551 951296347 /nfs/dbraw/zinc/29/63/47/951296347.db2.gz CKUNXKUAUHCULY-NSHDSACASA-N 1 2 281.743 1.963 20 30 CDEDLO C=CCOC[C@@H](O)C[N@@H+](C)CC(=O)c1ccccc1 ZINC001252470920 951323864 /nfs/dbraw/zinc/32/38/64/951323864.db2.gz RTBHBJVZGTZDIG-AWEZNQCLSA-N 1 2 263.337 1.365 20 30 CDEDLO C=CCOC[C@@H](O)C[N@H+](C)CC(=O)c1ccccc1 ZINC001252470920 951323873 /nfs/dbraw/zinc/32/38/73/951323873.db2.gz RTBHBJVZGTZDIG-AWEZNQCLSA-N 1 2 263.337 1.365 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCN(Cc2ccccc2)C(=O)C1 ZINC001252602477 951495513 /nfs/dbraw/zinc/49/55/13/951495513.db2.gz BHOVWJQONCTBGZ-MRXNPFEDSA-N 1 2 288.391 1.658 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCN(Cc2ccccc2)C(=O)C1 ZINC001252602477 951495519 /nfs/dbraw/zinc/49/55/19/951495519.db2.gz BHOVWJQONCTBGZ-MRXNPFEDSA-N 1 2 288.391 1.658 20 30 CDEDLO C=C[C@@H](O)CNc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001253589645 951983043 /nfs/dbraw/zinc/98/30/43/951983043.db2.gz GYUYAXPKSGCHPR-OAHLLOKOSA-N 1 2 292.379 1.356 20 30 CDEDLO COc1ncc(NC(=O)[C@@H](C)n2cc[nH+]c2)cc1C#N ZINC001363560440 953455884 /nfs/dbraw/zinc/45/58/84/953455884.db2.gz WHVOUAMMLZUPGA-SECBINFHSA-N 1 2 271.280 1.358 20 30 CDEDLO C[C@H]1[C@@H](O)CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC001363792322 953800911 /nfs/dbraw/zinc/80/09/11/953800911.db2.gz SMBADEAWOMIABA-ZANVPECISA-N 1 2 293.754 1.605 20 30 CDEDLO C[C@H]1[C@@H](O)CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC001363792322 953800917 /nfs/dbraw/zinc/80/09/17/953800917.db2.gz SMBADEAWOMIABA-ZANVPECISA-N 1 2 293.754 1.605 20 30 CDEDLO Cc1[nH]c(CNC(=O)c2csc(C#N)c2)[nH+]c1C ZINC001334420129 954126214 /nfs/dbraw/zinc/12/62/14/954126214.db2.gz AAGNCMZLTKYCKI-UHFFFAOYSA-N 1 2 260.322 1.890 20 30 CDEDLO C=CCN(C(=O)[C@@H](C)n1cc[nH+]c1)[C@H](C)COC ZINC001328392681 955283270 /nfs/dbraw/zinc/28/32/70/955283270.db2.gz YUNJFAIODLOZLY-VXGBXAGGSA-N 1 2 251.330 1.494 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CC1(COC)CC1 ZINC001422163760 955800906 /nfs/dbraw/zinc/80/09/06/955800906.db2.gz WUHRRNIJPWVEJW-UHFFFAOYSA-N 1 2 288.819 1.946 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CC1(COC)CC1 ZINC001422163760 955800921 /nfs/dbraw/zinc/80/09/21/955800921.db2.gz WUHRRNIJPWVEJW-UHFFFAOYSA-N 1 2 288.819 1.946 20 30 CDEDLO N#Cc1cccc([C@H](O)C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)c1 ZINC001365274125 955806839 /nfs/dbraw/zinc/80/68/39/955806839.db2.gz DZEWXKYYYARLMN-OWCLPIDISA-N 1 2 299.374 1.335 20 30 CDEDLO N#Cc1cccc([C@H](O)C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)c1 ZINC001365274125 955806848 /nfs/dbraw/zinc/80/68/48/955806848.db2.gz DZEWXKYYYARLMN-OWCLPIDISA-N 1 2 299.374 1.335 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCn1cccn1 ZINC001422490692 956080503 /nfs/dbraw/zinc/08/05/03/956080503.db2.gz QKRYHLLFZANQFS-LBPRGKRZSA-N 1 2 284.791 1.462 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCn1cccn1 ZINC001422490692 956080518 /nfs/dbraw/zinc/08/05/18/956080518.db2.gz QKRYHLLFZANQFS-LBPRGKRZSA-N 1 2 284.791 1.462 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cncc(OC)n1 ZINC001422568760 956159619 /nfs/dbraw/zinc/15/96/19/956159619.db2.gz PUUOBPWKPDHKMP-JTQLQIEISA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cncc(OC)n1 ZINC001422568760 956159628 /nfs/dbraw/zinc/15/96/28/956159628.db2.gz PUUOBPWKPDHKMP-JTQLQIEISA-N 1 2 298.774 1.288 20 30 CDEDLO C#CC[N@H+](CC1CC1)CN1Cc2c(cccc2OC)C1=O ZINC001330148848 956291978 /nfs/dbraw/zinc/29/19/78/956291978.db2.gz CLZDHSHKCUAURS-UHFFFAOYSA-N 1 2 284.359 1.954 20 30 CDEDLO C#CC[N@@H+](CC1CC1)CN1Cc2c(cccc2OC)C1=O ZINC001330148848 956291983 /nfs/dbraw/zinc/29/19/83/956291983.db2.gz CLZDHSHKCUAURS-UHFFFAOYSA-N 1 2 284.359 1.954 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1nc(C)c[nH]1 ZINC001422904250 956441640 /nfs/dbraw/zinc/44/16/40/956441640.db2.gz ROXYUUCCQOJIPY-JTQLQIEISA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1nc(C)c[nH]1 ZINC001422904250 956441645 /nfs/dbraw/zinc/44/16/45/956441645.db2.gz ROXYUUCCQOJIPY-JTQLQIEISA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)Cc2cnn(CC)c2)C1 ZINC001366985174 957318025 /nfs/dbraw/zinc/31/80/25/957318025.db2.gz CJFDOSPHAQSKPQ-UHFFFAOYSA-N 1 2 296.802 1.246 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CC2(O)CCC2)C1 ZINC001367059372 957374573 /nfs/dbraw/zinc/37/45/73/957374573.db2.gz ZQOSHIYLWQTAJD-LBPRGKRZSA-N 1 2 286.803 1.577 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CC2(O)CCC2)C1 ZINC001367059372 957374581 /nfs/dbraw/zinc/37/45/81/957374581.db2.gz ZQOSHIYLWQTAJD-LBPRGKRZSA-N 1 2 286.803 1.577 20 30 CDEDLO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)CC)C1 ZINC001494704801 972293043 /nfs/dbraw/zinc/29/30/43/972293043.db2.gz WNAJPOOVXMBONE-KBPBESRZSA-N 1 2 295.427 1.448 20 30 CDEDLO C=C(C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)N[C@@H](C)CC)C1 ZINC001494704801 972293045 /nfs/dbraw/zinc/29/30/45/972293045.db2.gz WNAJPOOVXMBONE-KBPBESRZSA-N 1 2 295.427 1.448 20 30 CDEDLO N#Cc1cccc(NC(=O)CC[NH2+]CC(F)F)c1 ZINC001335953175 960120938 /nfs/dbraw/zinc/12/09/38/960120938.db2.gz AQQBVZRJHGFEMW-UHFFFAOYSA-N 1 2 253.252 1.742 20 30 CDEDLO Cc1nc([C@@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H](C)C#N)C2)no1 ZINC001418623340 960816613 /nfs/dbraw/zinc/81/66/13/960816613.db2.gz WYCRQWVWCLGBQE-BSJXLVFVSA-N 1 2 291.355 1.083 20 30 CDEDLO C=C(CO)C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001337376274 961151260 /nfs/dbraw/zinc/15/12/60/961151260.db2.gz FJKKEQKMZICQMD-ZDUSSCGKSA-N 1 2 280.755 1.361 20 30 CDEDLO C=C1CCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC1 ZINC001337771960 961413416 /nfs/dbraw/zinc/41/34/16/961413416.db2.gz JHEUVGJLKPAPFU-CQSZACIVSA-N 1 2 288.395 1.984 20 30 CDEDLO C=C1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC001337771960 961413425 /nfs/dbraw/zinc/41/34/25/961413425.db2.gz JHEUVGJLKPAPFU-CQSZACIVSA-N 1 2 288.395 1.984 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2nc(C)cs2)C1 ZINC001339196164 962235212 /nfs/dbraw/zinc/23/52/12/962235212.db2.gz SKWZRYHSDCIWOW-NSHDSACASA-N 1 2 263.366 1.279 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2nc(C)cs2)C1 ZINC001339196164 962235224 /nfs/dbraw/zinc/23/52/24/962235224.db2.gz SKWZRYHSDCIWOW-NSHDSACASA-N 1 2 263.366 1.279 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)CCc2nnc[nH]2)C1 ZINC001421182918 963488540 /nfs/dbraw/zinc/48/85/40/963488540.db2.gz IWHYYRCILCFZCU-ZDUSSCGKSA-N 1 2 297.790 1.070 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)CCc2nnc[nH]2)C1 ZINC001421182918 963488545 /nfs/dbraw/zinc/48/85/45/963488545.db2.gz IWHYYRCILCFZCU-ZDUSSCGKSA-N 1 2 297.790 1.070 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccsc3)n2C)CC1 ZINC001341934017 963583800 /nfs/dbraw/zinc/58/38/00/963583800.db2.gz QNNFIOUPBDSHKW-UHFFFAOYSA-N 1 2 287.392 1.299 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3C[C@@H]3C)n2CC(=C)C)CC1 ZINC001342762877 963820842 /nfs/dbraw/zinc/82/08/42/963820842.db2.gz ZUDPEOJBVQQXTB-LSDHHAIUSA-N 1 2 299.422 1.733 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(C#N)CCSCC1 ZINC001347741760 965679601 /nfs/dbraw/zinc/67/96/01/965679601.db2.gz QSMZUQGWKQBCKM-GHMZBOCLSA-N 1 2 290.392 1.429 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(CF)CC2)[C@H](O)C1 ZINC001100007192 967193027 /nfs/dbraw/zinc/19/30/27/967193027.db2.gz XIXSRXSALUDINB-GHMZBOCLSA-N 1 2 290.766 1.040 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(CF)CC2)[C@H](O)C1 ZINC001100007192 967193031 /nfs/dbraw/zinc/19/30/31/967193031.db2.gz XIXSRXSALUDINB-GHMZBOCLSA-N 1 2 290.766 1.040 20 30 CDEDLO N#Cc1ccc(C[NH2+][C@H]2CCCn3ccnc32)nc1 ZINC000848547019 969166093 /nfs/dbraw/zinc/16/60/93/969166093.db2.gz HXDTWFLPUKJJKF-ZDUSSCGKSA-N 1 2 253.309 1.774 20 30 CDEDLO Cc1cc(NC(=O)c2ccc(C#N)n2C)c(C)c[nH+]1 ZINC001521209892 970270335 /nfs/dbraw/zinc/27/03/35/970270335.db2.gz SJTOIIJPZIUSCL-UHFFFAOYSA-N 1 2 254.293 1.583 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnc2n1CCC2 ZINC001418471774 973877514 /nfs/dbraw/zinc/87/75/14/973877514.db2.gz ZTBNNIQMBXFMTF-UHFFFAOYSA-N 1 2 282.775 1.243 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnc2n1CCC2 ZINC001418471774 973877524 /nfs/dbraw/zinc/87/75/24/973877524.db2.gz ZTBNNIQMBXFMTF-UHFFFAOYSA-N 1 2 282.775 1.243 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc(OC)no1 ZINC001505905746 975035025 /nfs/dbraw/zinc/03/50/25/975035025.db2.gz WAXJQYVEQMGKDI-VIFPVBQESA-N 1 2 287.747 1.486 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(OC)no1 ZINC001505905746 975035027 /nfs/dbraw/zinc/03/50/27/975035027.db2.gz WAXJQYVEQMGKDI-VIFPVBQESA-N 1 2 287.747 1.486 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(COC)CC2)C1 ZINC001405060386 975611330 /nfs/dbraw/zinc/61/13/30/975611330.db2.gz VAHYHCNKEFAMOX-LLVKDONJSA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(COC)CC2)C1 ZINC001405060386 975611335 /nfs/dbraw/zinc/61/13/35/975611335.db2.gz VAHYHCNKEFAMOX-LLVKDONJSA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CCCO1 ZINC001492909856 976243201 /nfs/dbraw/zinc/24/32/01/976243201.db2.gz DIAMNPSAMPFOCS-LLVKDONJSA-N 1 2 260.765 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CCCO1 ZINC001492909856 976243212 /nfs/dbraw/zinc/24/32/12/976243212.db2.gz DIAMNPSAMPFOCS-LLVKDONJSA-N 1 2 260.765 1.356 20 30 CDEDLO Cc1nnc(C[NH+]2CCC(C)(NC(=O)[C@H](C)C#N)CC2)o1 ZINC001380300502 976336902 /nfs/dbraw/zinc/33/69/02/976336902.db2.gz SVJDPOXWWKISNV-SNVBAGLBSA-N 1 2 291.355 1.008 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)COC(C)C)C1 ZINC001380344868 976361064 /nfs/dbraw/zinc/36/10/64/976361064.db2.gz FTKGAIRWBMGPHE-CYBMUJFWSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)COC(C)C)C1 ZINC001380344868 976361077 /nfs/dbraw/zinc/36/10/77/976361077.db2.gz FTKGAIRWBMGPHE-CYBMUJFWSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc(CC)nn1C ZINC001390985586 976635303 /nfs/dbraw/zinc/63/53/03/976635303.db2.gz HAOCXPNISHOELF-UHFFFAOYSA-N 1 2 298.818 1.787 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc(CC)nn1C ZINC001390985586 976635307 /nfs/dbraw/zinc/63/53/07/976635307.db2.gz HAOCXPNISHOELF-UHFFFAOYSA-N 1 2 298.818 1.787 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccc2nncn2c1 ZINC001403699442 977151091 /nfs/dbraw/zinc/15/10/91/977151091.db2.gz OVAASFOVNFYTAC-UHFFFAOYSA-N 1 2 293.758 1.143 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccc2nncn2c1 ZINC001403699442 977151100 /nfs/dbraw/zinc/15/11/00/977151100.db2.gz OVAASFOVNFYTAC-UHFFFAOYSA-N 1 2 293.758 1.143 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cnn(C)c1CC ZINC001392287970 977389184 /nfs/dbraw/zinc/38/91/84/977389184.db2.gz IMNIQTQCGYDYEG-UHFFFAOYSA-N 1 2 298.818 1.739 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cnn(C)c1CC ZINC001392287970 977389190 /nfs/dbraw/zinc/38/91/90/977389190.db2.gz IMNIQTQCGYDYEG-UHFFFAOYSA-N 1 2 298.818 1.739 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)c1cnc(C)[nH]1 ZINC001393612960 977860835 /nfs/dbraw/zinc/86/08/35/977860835.db2.gz LPKWZUATXCBCOF-UHFFFAOYSA-N 1 2 284.791 1.865 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)c1cnc(C)[nH]1 ZINC001393612960 977860845 /nfs/dbraw/zinc/86/08/45/977860845.db2.gz LPKWZUATXCBCOF-UHFFFAOYSA-N 1 2 284.791 1.865 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](Nc2ccc(C(=O)[O-])c(C)[nH+]2)C1 ZINC001588476646 983512472 /nfs/dbraw/zinc/51/24/72/983512472.db2.gz GDGJRJZUFOOHJW-GFCCVEGCSA-N 1 2 273.336 1.598 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](Nc2ccc(C(=O)[O-])c(C)[nH+]2)C1 ZINC001588476646 983512473 /nfs/dbraw/zinc/51/24/73/983512473.db2.gz GDGJRJZUFOOHJW-GFCCVEGCSA-N 1 2 273.336 1.598 20 30 CDEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nnc(C(C)C)o1 ZINC001132565617 1163374655 /nfs/dbraw/zinc/37/46/55/1163374655.db2.gz XIBKRLVXMLNYIH-NEPJUHHUSA-N 1 2 294.399 1.857 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[NH2+]Cc1ncccn1 ZINC001133378676 1163661687 /nfs/dbraw/zinc/66/16/87/1163661687.db2.gz KGFSJXWBZGJHSN-AWEZNQCLSA-N 1 2 262.357 1.285 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+]Cc1nc(COC)no1 ZINC001133379231 1163662574 /nfs/dbraw/zinc/66/25/74/1163662574.db2.gz XDADXNXXRLWMDE-CQSZACIVSA-N 1 2 296.371 1.024 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000589752010 342513321 /nfs/dbraw/zinc/51/33/21/342513321.db2.gz FRTLCOMRFBHHET-GOEBONIOSA-N 1 2 275.348 1.350 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000589752010 342513322 /nfs/dbraw/zinc/51/33/22/342513322.db2.gz FRTLCOMRFBHHET-GOEBONIOSA-N 1 2 275.348 1.350 20 30 CDEDLO N#CCCOCCN1CC[NH+](Cc2ccsc2)CC1 ZINC000590153138 342523484 /nfs/dbraw/zinc/52/34/84/342523484.db2.gz BTJIWCVBQDKVEG-UHFFFAOYSA-N 1 2 279.409 1.796 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000608784741 342045135 /nfs/dbraw/zinc/04/51/35/342045135.db2.gz PYRYHYHZSNUZMK-DZGCQCFKSA-N 1 2 287.363 1.584 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000608784741 342045136 /nfs/dbraw/zinc/04/51/36/342045136.db2.gz PYRYHYHZSNUZMK-DZGCQCFKSA-N 1 2 287.363 1.584 20 30 CDEDLO N#Cc1nccnc1NCC1CC[NH+](CC(F)F)CC1 ZINC000590567533 342576097 /nfs/dbraw/zinc/57/60/97/342576097.db2.gz MYGWQFOTXVRGDS-UHFFFAOYSA-N 1 2 281.310 1.737 20 30 CDEDLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)ccc1C#N ZINC000300262742 361783527 /nfs/dbraw/zinc/78/35/27/361783527.db2.gz RBAWCAHTPXGXAQ-RISCZKNCSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1cc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)ccc1C#N ZINC000300262742 361783534 /nfs/dbraw/zinc/78/35/34/361783534.db2.gz RBAWCAHTPXGXAQ-RISCZKNCSA-N 1 2 276.336 1.148 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000111277073 342579560 /nfs/dbraw/zinc/57/95/60/342579560.db2.gz FHYDIXJGHIXQIL-UONOGXRCSA-N 1 2 268.401 1.910 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000111277073 342579561 /nfs/dbraw/zinc/57/95/61/342579561.db2.gz FHYDIXJGHIXQIL-UONOGXRCSA-N 1 2 268.401 1.910 20 30 CDEDLO Cc1cc(C)c(CNC(=O)N=c2[nH]n(C)cc2C#N)c[nH+]1 ZINC000590822531 342599012 /nfs/dbraw/zinc/59/90/12/342599012.db2.gz WLDZZSBRFMNEJO-UHFFFAOYSA-N 1 2 284.323 1.047 20 30 CDEDLO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN(CCC#N)CC1 ZINC000609350998 342103727 /nfs/dbraw/zinc/10/37/27/342103727.db2.gz QCZPLWMELJDBBK-HNNXBMFYSA-N 1 2 292.427 1.309 20 30 CDEDLO COC(=O)c1cccc(OCC[N@H+](C)CCC#N)c1 ZINC000083218881 178358035 /nfs/dbraw/zinc/35/80/35/178358035.db2.gz MYYQFJXZLIQUDQ-UHFFFAOYSA-N 1 2 262.309 1.697 20 30 CDEDLO COC(=O)c1cccc(OCC[N@@H+](C)CCC#N)c1 ZINC000083218881 178358037 /nfs/dbraw/zinc/35/80/37/178358037.db2.gz MYYQFJXZLIQUDQ-UHFFFAOYSA-N 1 2 262.309 1.697 20 30 CDEDLO C=CC[N@@H+](CCS(C)(=O)=O)Cc1ccccc1 ZINC000045840915 342126475 /nfs/dbraw/zinc/12/64/75/342126475.db2.gz BTQMAWGPRYMACK-UHFFFAOYSA-N 1 2 253.367 1.719 20 30 CDEDLO C=CC[N@H+](CCS(C)(=O)=O)Cc1ccccc1 ZINC000045840915 342126476 /nfs/dbraw/zinc/12/64/76/342126476.db2.gz BTQMAWGPRYMACK-UHFFFAOYSA-N 1 2 253.367 1.719 20 30 CDEDLO Cc1ccc2nc(C[N@@H+]3CC[C@](O)(CC#N)C3)cn2c1 ZINC000592145893 342673190 /nfs/dbraw/zinc/67/31/90/342673190.db2.gz ASMVSBGYCIWJEV-OAHLLOKOSA-N 1 2 270.336 1.493 20 30 CDEDLO Cc1ccc2nc(C[N@H+]3CC[C@](O)(CC#N)C3)cn2c1 ZINC000592145893 342673191 /nfs/dbraw/zinc/67/31/91/342673191.db2.gz ASMVSBGYCIWJEV-OAHLLOKOSA-N 1 2 270.336 1.493 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000592146302 342673314 /nfs/dbraw/zinc/67/33/14/342673314.db2.gz GZUHKDZCKXNCGE-AWEZNQCLSA-N 1 2 294.738 1.919 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000592146302 342673316 /nfs/dbraw/zinc/67/33/16/342673316.db2.gz GZUHKDZCKXNCGE-AWEZNQCLSA-N 1 2 294.738 1.919 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000592148347 342668395 /nfs/dbraw/zinc/66/83/95/342668395.db2.gz UIFWVSOGGBKWIF-AWEZNQCLSA-N 1 2 290.754 1.838 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000592148347 342668396 /nfs/dbraw/zinc/66/83/96/342668396.db2.gz UIFWVSOGGBKWIF-AWEZNQCLSA-N 1 2 290.754 1.838 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1coc(C2CCC2)n1 ZINC000593153359 342774172 /nfs/dbraw/zinc/77/41/72/342774172.db2.gz XMQIGLOSMYGSTL-AWEZNQCLSA-N 1 2 276.340 1.516 20 30 CDEDLO N#Cc1c(NC(=O)CCn2cc[nH+]c2)n[nH]c1C1CC1 ZINC000588766702 342221096 /nfs/dbraw/zinc/22/10/96/342221096.db2.gz CIWIKEYWRQXCGM-UHFFFAOYSA-N 1 2 270.296 1.384 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)CSCC[NH+]1CCOCC1 ZINC000127386948 342231799 /nfs/dbraw/zinc/23/17/99/342231799.db2.gz VTXRZTLOKGTBSI-CQSZACIVSA-N 1 2 299.440 1.106 20 30 CDEDLO N#CCOc1cccc(NC(=O)NCCCn2cc[nH+]c2)c1 ZINC000048516503 342233859 /nfs/dbraw/zinc/23/38/59/342233859.db2.gz OSKGHRVURMFZOW-UHFFFAOYSA-N 1 2 299.334 1.997 20 30 CDEDLO N#Cc1cccc(-n2cc(CC[NH+]3CCOCC3)nn2)c1 ZINC000594651817 342933398 /nfs/dbraw/zinc/93/33/98/342933398.db2.gz LHKSFDIDFNCSPP-UHFFFAOYSA-N 1 2 283.335 1.014 20 30 CDEDLO CNC(=O)[C@]1(C)CC[N@@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000595474479 343063680 /nfs/dbraw/zinc/06/36/80/343063680.db2.gz LYFNVWFYORVOJY-DZGCQCFKSA-N 1 2 257.337 1.709 20 30 CDEDLO CNC(=O)[C@]1(C)CC[N@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000595474479 343063682 /nfs/dbraw/zinc/06/36/82/343063682.db2.gz LYFNVWFYORVOJY-DZGCQCFKSA-N 1 2 257.337 1.709 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N[C@H](C)Cc1ccccc1C ZINC000076185533 342319866 /nfs/dbraw/zinc/31/98/66/342319866.db2.gz CFRZJKFJPZVREG-MRXNPFEDSA-N 1 2 282.387 1.611 20 30 CDEDLO CN(C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCSC1 ZINC000329736857 362030958 /nfs/dbraw/zinc/03/09/58/362030958.db2.gz LRVAVOJPYHFGEM-ZJUUUORDSA-N 1 2 280.397 1.618 20 30 CDEDLO CN(C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCSC1 ZINC000329736857 362030963 /nfs/dbraw/zinc/03/09/63/362030963.db2.gz LRVAVOJPYHFGEM-ZJUUUORDSA-N 1 2 280.397 1.618 20 30 CDEDLO C[C@H]1C[C@]1(C#N)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000448656999 362036982 /nfs/dbraw/zinc/03/69/82/362036982.db2.gz QDVYGWUKBXRPSQ-BLLLJJGKSA-N 1 2 284.363 1.848 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](CC)[C@@H](C)C(=O)OC(C)(C)C)C1=O ZINC000595607586 343107397 /nfs/dbraw/zinc/10/73/97/343107397.db2.gz WDKIYRGQLXNVHI-QWHCGFSZSA-N 1 2 296.411 1.825 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](CC)[C@@H](C)C(=O)OC(C)(C)C)C1=O ZINC000595607586 343107399 /nfs/dbraw/zinc/10/73/99/343107399.db2.gz WDKIYRGQLXNVHI-QWHCGFSZSA-N 1 2 296.411 1.825 20 30 CDEDLO CN(Cc1c[nH+]c[nH]1)C(=O)NCCc1ccc(C#N)cc1 ZINC000595689428 343132501 /nfs/dbraw/zinc/13/25/01/343132501.db2.gz VMHVYMBQMJFOGJ-UHFFFAOYSA-N 1 2 283.335 1.665 20 30 CDEDLO CN(Cc1c[nH]c[nH+]1)C(=O)NCCc1ccc(C#N)cc1 ZINC000595689428 343132503 /nfs/dbraw/zinc/13/25/03/343132503.db2.gz VMHVYMBQMJFOGJ-UHFFFAOYSA-N 1 2 283.335 1.665 20 30 CDEDLO CC[N@H+](CCC#N)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000081039330 342363256 /nfs/dbraw/zinc/36/32/56/342363256.db2.gz YWTDSAUWOOUKFN-UHFFFAOYSA-N 1 2 295.408 1.672 20 30 CDEDLO CC[N@@H+](CCC#N)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000081039330 342363257 /nfs/dbraw/zinc/36/32/57/342363257.db2.gz YWTDSAUWOOUKFN-UHFFFAOYSA-N 1 2 295.408 1.672 20 30 CDEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@](C)(C#N)C2CCCCC2)C1 ZINC000081408458 342368570 /nfs/dbraw/zinc/36/85/70/342368570.db2.gz IWBULNUZVOMJRO-UKRRQHHQSA-N 1 2 279.384 1.296 20 30 CDEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@](C)(C#N)C2CCCCC2)C1 ZINC000081408458 342368571 /nfs/dbraw/zinc/36/85/71/342368571.db2.gz IWBULNUZVOMJRO-UKRRQHHQSA-N 1 2 279.384 1.296 20 30 CDEDLO CCc1nnc(N(C)Cc2c[nH+]c[nH]2)c(C#N)c1CC ZINC000596304753 343293041 /nfs/dbraw/zinc/29/30/41/343293041.db2.gz DHNWJHGMAIDPGF-UHFFFAOYSA-N 1 2 270.340 1.833 20 30 CDEDLO CCc1nnc(N(C)Cc2c[nH]c[nH+]2)c(C#N)c1CC ZINC000596304753 343293042 /nfs/dbraw/zinc/29/30/42/343293042.db2.gz DHNWJHGMAIDPGF-UHFFFAOYSA-N 1 2 270.340 1.833 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)NCC2(C#N)CCC2)[C@@H](C)CO1 ZINC000596632808 343362098 /nfs/dbraw/zinc/36/20/98/343362098.db2.gz ORFHHRXTWYWGIJ-QWHCGFSZSA-N 1 2 294.399 1.089 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCC2(C#N)CCC2)[C@@H](C)CO1 ZINC000596632808 343362099 /nfs/dbraw/zinc/36/20/99/343362099.db2.gz ORFHHRXTWYWGIJ-QWHCGFSZSA-N 1 2 294.399 1.089 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)NCCc1ccc(C#N)cc1 ZINC000596671479 343366879 /nfs/dbraw/zinc/36/68/79/343366879.db2.gz IGPYMIYAJNFOQA-UHFFFAOYSA-N 1 2 297.362 1.676 20 30 CDEDLO CC(C)C[C@@H](C#N)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000597075516 343439416 /nfs/dbraw/zinc/43/94/16/343439416.db2.gz VJMQNALXSPRVCA-RYUDHWBXSA-N 1 2 260.341 1.500 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCOc1ccc(F)cc1 ZINC000619715874 349865981 /nfs/dbraw/zinc/86/59/81/349865981.db2.gz XNWGBXSOGWZLOI-ZDUSSCGKSA-N 1 2 267.300 1.864 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCOc1ccc(F)cc1 ZINC000619715874 349865983 /nfs/dbraw/zinc/86/59/83/349865983.db2.gz XNWGBXSOGWZLOI-ZDUSSCGKSA-N 1 2 267.300 1.864 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(Oc2cc(C)ccn2)CC1 ZINC000619720391 349870452 /nfs/dbraw/zinc/87/04/52/349870452.db2.gz HPYTZPSFJVFIDU-AWEZNQCLSA-N 1 2 290.363 1.961 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CC(=O)NC1CC1 ZINC000127004638 187275393 /nfs/dbraw/zinc/27/53/93/187275393.db2.gz DPNYIEWAXGSUHE-GFCCVEGCSA-N 1 2 281.400 1.010 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CC(=O)NC1CC1 ZINC000127004638 187275394 /nfs/dbraw/zinc/27/53/94/187275394.db2.gz DPNYIEWAXGSUHE-GFCCVEGCSA-N 1 2 281.400 1.010 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000598592742 343838964 /nfs/dbraw/zinc/83/89/64/343838964.db2.gz MIZRVUVVVLGCRQ-ZJUUUORDSA-N 1 2 280.290 1.550 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000598592742 343838965 /nfs/dbraw/zinc/83/89/65/343838965.db2.gz MIZRVUVVVLGCRQ-ZJUUUORDSA-N 1 2 280.290 1.550 20 30 CDEDLO N#CCc1cccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000598949958 343933691 /nfs/dbraw/zinc/93/36/91/343933691.db2.gz YCGKFPGXKBKOFR-AWEZNQCLSA-N 1 2 280.331 1.694 20 30 CDEDLO CCc1nnc(NC[C@H]2COCC[N@@H+]2C)c(C#N)c1CC ZINC000599161920 343971443 /nfs/dbraw/zinc/97/14/43/343971443.db2.gz XSJVIWJZMGDDFM-NSHDSACASA-N 1 2 289.383 1.216 20 30 CDEDLO CCc1nnc(NC[C@H]2COCC[N@H+]2C)c(C#N)c1CC ZINC000599161920 343971444 /nfs/dbraw/zinc/97/14/44/343971444.db2.gz XSJVIWJZMGDDFM-NSHDSACASA-N 1 2 289.383 1.216 20 30 CDEDLO C[C@]1(C#N)CCCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000612108695 347024041 /nfs/dbraw/zinc/02/40/41/347024041.db2.gz PUOLZVYQUVGBRB-CQSZACIVSA-N 1 2 268.324 1.792 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCc2[nH+]c[nH]c2C1 ZINC000599430532 344056522 /nfs/dbraw/zinc/05/65/22/344056522.db2.gz VPLNPEAUVLKIGU-ABAIWWIYSA-N 1 2 289.383 1.211 20 30 CDEDLO COC(=O)c1cnc(C[N@@H+]2CCC[C@@H](CC#N)C2)cn1 ZINC000599467925 344060506 /nfs/dbraw/zinc/06/05/06/344060506.db2.gz BHRXUCFEXLNEQI-NSHDSACASA-N 1 2 274.324 1.389 20 30 CDEDLO COC(=O)c1cnc(C[N@H+]2CCC[C@@H](CC#N)C2)cn1 ZINC000599467925 344060508 /nfs/dbraw/zinc/06/05/08/344060508.db2.gz BHRXUCFEXLNEQI-NSHDSACASA-N 1 2 274.324 1.389 20 30 CDEDLO CCC(C#N)(CC)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000599846877 344145736 /nfs/dbraw/zinc/14/57/36/344145736.db2.gz FEQGYCAAQOPIMJ-CYBMUJFWSA-N 1 2 281.400 1.495 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601726532 344238224 /nfs/dbraw/zinc/23/82/24/344238224.db2.gz ADQVQIAUDMZJRC-LBPRGKRZSA-N 1 2 273.336 1.196 20 30 CDEDLO C[C@@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccco1 ZINC000602332028 344402296 /nfs/dbraw/zinc/40/22/96/344402296.db2.gz JDBISIWMLHMBJG-FZMZJTMJSA-N 1 2 263.341 1.733 20 30 CDEDLO C=CCN(CCC#N)Cc1cc2c(c[nH+]1)OCCO2 ZINC000602672424 344523148 /nfs/dbraw/zinc/52/31/48/344523148.db2.gz OTKVVHHKMYEEFX-UHFFFAOYSA-N 1 2 259.309 1.754 20 30 CDEDLO N#CCCN1CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000602747627 344562292 /nfs/dbraw/zinc/56/22/92/344562292.db2.gz FFLCRWBFMSOAJW-UHFFFAOYSA-N 1 2 295.390 1.904 20 30 CDEDLO CC[C@@H]1C[N@H+](CC2(CC#N)CC2)C[C@H](C)[S@@]1=O ZINC000602831472 344614201 /nfs/dbraw/zinc/61/42/01/344614201.db2.gz PHMFSMPWMUPHLM-JKDFXYPNSA-N 1 2 254.399 1.912 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC2(CC#N)CC2)C[C@H](C)[S@@]1=O ZINC000602831472 344614202 /nfs/dbraw/zinc/61/42/02/344614202.db2.gz PHMFSMPWMUPHLM-JKDFXYPNSA-N 1 2 254.399 1.912 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000602860334 344616160 /nfs/dbraw/zinc/61/61/60/344616160.db2.gz AZIYQDYGBILXGZ-ZJUUUORDSA-N 1 2 275.308 1.634 20 30 CDEDLO Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000602863620 344621788 /nfs/dbraw/zinc/62/17/88/344621788.db2.gz OWKFKGXNTCXGSB-KBPBESRZSA-N 1 2 273.380 1.934 20 30 CDEDLO Cc1ccccc1C[C@H](C)NC(=O)C[NH2+][C@@H](C)CC#N ZINC000602865367 344638368 /nfs/dbraw/zinc/63/83/68/344638368.db2.gz XPROXGCUZRYGDB-KBPBESRZSA-N 1 2 273.380 1.934 20 30 CDEDLO CCOCc1ccccc1CNC(=O)C[NH2+][C@@H](C)CC#N ZINC000602864660 344638444 /nfs/dbraw/zinc/63/84/44/344638444.db2.gz UIADQCVTWPADND-ZDUSSCGKSA-N 1 2 289.379 1.731 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000602865849 344638460 /nfs/dbraw/zinc/63/84/60/344638460.db2.gz ZSQMFIHNORXTQD-MNOVXSKESA-N 1 2 295.333 1.904 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000602866079 344638882 /nfs/dbraw/zinc/63/88/82/344638882.db2.gz YDYHRZNRSSBKIU-QNWHQSFQSA-N 1 2 251.374 1.771 20 30 CDEDLO CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612165169 347067816 /nfs/dbraw/zinc/06/78/16/347067816.db2.gz JHQOEUBTBOFAFT-ZFWWWQNUSA-N 1 2 281.400 1.543 20 30 CDEDLO CCOCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612165169 347067819 /nfs/dbraw/zinc/06/78/19/347067819.db2.gz JHQOEUBTBOFAFT-ZFWWWQNUSA-N 1 2 281.400 1.543 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@H](C(C)C)C2)C1=O ZINC000337178966 345064999 /nfs/dbraw/zinc/06/49/99/345064999.db2.gz KTLUJHORDCQHEE-STQMWFEESA-N 1 2 252.358 1.130 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@H](C(C)C)C2)C1=O ZINC000337178966 345065002 /nfs/dbraw/zinc/06/50/02/345065002.db2.gz KTLUJHORDCQHEE-STQMWFEESA-N 1 2 252.358 1.130 20 30 CDEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1(C)C ZINC000230340455 345243261 /nfs/dbraw/zinc/24/32/61/345243261.db2.gz FYEMWQGEDHUZOJ-UHFFFAOYSA-N 1 2 299.421 1.334 20 30 CDEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1(C)C ZINC000230340455 345243263 /nfs/dbraw/zinc/24/32/63/345243263.db2.gz FYEMWQGEDHUZOJ-UHFFFAOYSA-N 1 2 299.421 1.334 20 30 CDEDLO N#CCCN(Cc1cccnc1)C(=O)CCn1cc[nH+]c1 ZINC000072621340 345342906 /nfs/dbraw/zinc/34/29/06/345342906.db2.gz AJLPPWHLVXGMPU-UHFFFAOYSA-N 1 2 283.335 1.611 20 30 CDEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](O)C2)c(C#N)c1C ZINC000073602078 345493258 /nfs/dbraw/zinc/49/32/58/345493258.db2.gz AQZTYSWLKCLBQO-PWSUYJOCSA-N 1 2 291.351 1.552 20 30 CDEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](O)C2)c(C#N)c1C ZINC000073602078 345493261 /nfs/dbraw/zinc/49/32/61/345493261.db2.gz AQZTYSWLKCLBQO-PWSUYJOCSA-N 1 2 291.351 1.552 20 30 CDEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccno3)CC2)c1 ZINC000074158014 345657652 /nfs/dbraw/zinc/65/76/52/345657652.db2.gz QWICWXVFDLCKSC-UHFFFAOYSA-N 1 2 269.308 1.263 20 30 CDEDLO CCc1noc(CC)c1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000573689287 334958205 /nfs/dbraw/zinc/95/82/05/334958205.db2.gz PIEYIXBEPMMZBJ-OAHLLOKOSA-N 1 2 292.383 1.302 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@H](CC)C1CCC1)C(=O)OC ZINC000449299026 362643688 /nfs/dbraw/zinc/64/36/88/362643688.db2.gz KDMKBWQXUYABED-CHWSQXEVSA-N 1 2 255.358 1.899 20 30 CDEDLO C=CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H](C)COC ZINC000617583865 345870102 /nfs/dbraw/zinc/87/01/02/345870102.db2.gz REATXPBCIBUFNE-CHWSQXEVSA-N 1 2 277.368 1.495 20 30 CDEDLO C=CCCNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000617618058 345879856 /nfs/dbraw/zinc/87/98/56/345879856.db2.gz AIUKOMGESOJSMH-CYBMUJFWSA-N 1 2 292.383 1.175 20 30 CDEDLO C=CCCNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000617618058 345879859 /nfs/dbraw/zinc/87/98/59/345879859.db2.gz AIUKOMGESOJSMH-CYBMUJFWSA-N 1 2 292.383 1.175 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617725955 345930558 /nfs/dbraw/zinc/93/05/58/345930558.db2.gz QXMPXZOGCYWBQW-GZBFAFLISA-N 1 2 268.401 1.814 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617725955 345930560 /nfs/dbraw/zinc/93/05/60/345930560.db2.gz QXMPXZOGCYWBQW-GZBFAFLISA-N 1 2 268.401 1.814 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623302789 346021411 /nfs/dbraw/zinc/02/14/11/346021411.db2.gz PCDZFJLDIQLZDK-SWLSCSKDSA-N 1 2 277.368 1.543 20 30 CDEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H](C)C#N ZINC000610015812 346057428 /nfs/dbraw/zinc/05/74/28/346057428.db2.gz AWAHPLGXGNQHDJ-CYBMUJFWSA-N 1 2 287.363 1.925 20 30 CDEDLO COCCN(CCC#N)Cc1c[nH+]c2ccccn12 ZINC000160629905 346181657 /nfs/dbraw/zinc/18/16/57/346181657.db2.gz AWWZDWHAMYPYKM-UHFFFAOYSA-N 1 2 258.325 1.696 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1cn[nH]c1 ZINC000610487654 346292731 /nfs/dbraw/zinc/29/27/31/346292731.db2.gz QSAWVBGCLDZWQL-GFCCVEGCSA-N 1 2 289.383 1.573 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1cn[nH]c1 ZINC000610487654 346292735 /nfs/dbraw/zinc/29/27/35/346292735.db2.gz QSAWVBGCLDZWQL-GFCCVEGCSA-N 1 2 289.383 1.573 20 30 CDEDLO N#Cc1ccc(N2CCC(n3cc[nH+]c3)CC2)nn1 ZINC000611153082 346623110 /nfs/dbraw/zinc/62/31/10/346623110.db2.gz NZXKZFXOSWPNPR-UHFFFAOYSA-N 1 2 254.297 1.386 20 30 CDEDLO C=CC[NH+]1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 ZINC000075916146 346717142 /nfs/dbraw/zinc/71/71/42/346717142.db2.gz MFWGZBZLOYFBKI-GFCCVEGCSA-N 1 2 280.372 1.471 20 30 CDEDLO N#CCN1CC[NH+](Cc2[nH]nc3ccccc32)CC1 ZINC000611267969 346728848 /nfs/dbraw/zinc/72/88/48/346728848.db2.gz BGHRYICOPPDEMM-UHFFFAOYSA-N 1 2 255.325 1.204 20 30 CDEDLO N#CCN1CC[NH+](Cc2n[nH]c3ccccc32)CC1 ZINC000611267969 346728852 /nfs/dbraw/zinc/72/88/52/346728852.db2.gz BGHRYICOPPDEMM-UHFFFAOYSA-N 1 2 255.325 1.204 20 30 CDEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@@H](C)[C@H](O)C2)c1C#N ZINC000611349404 346756826 /nfs/dbraw/zinc/75/68/26/346756826.db2.gz JDMZBFVXTHKCMP-SJKOYZFVSA-N 1 2 296.374 1.865 20 30 CDEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@@H](C)[C@H](O)C2)c1C#N ZINC000611349404 346756830 /nfs/dbraw/zinc/75/68/30/346756830.db2.gz JDMZBFVXTHKCMP-SJKOYZFVSA-N 1 2 296.374 1.865 20 30 CDEDLO C[C@]1(C#N)CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000612364407 347132522 /nfs/dbraw/zinc/13/25/22/347132522.db2.gz AFEKPHUHBSUBLA-SWLSCSKDSA-N 1 2 272.352 1.598 20 30 CDEDLO COCC[N@H+](CCC#N)C[C@H](O)CCc1ccccc1 ZINC000612446263 347173912 /nfs/dbraw/zinc/17/39/12/347173912.db2.gz CQERPCXWABLVRX-MRXNPFEDSA-N 1 2 276.380 1.842 20 30 CDEDLO COCC[N@@H+](CCC#N)C[C@H](O)CCc1ccccc1 ZINC000612446263 347173913 /nfs/dbraw/zinc/17/39/13/347173913.db2.gz CQERPCXWABLVRX-MRXNPFEDSA-N 1 2 276.380 1.842 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1nc(NC)c2ccccc2[nH+]1 ZINC000450501212 362829179 /nfs/dbraw/zinc/82/91/79/362829179.db2.gz PEGABYCACFZJMJ-WFASDCNBSA-N 1 2 298.390 1.908 20 30 CDEDLO N#CCN1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000054422085 347822253 /nfs/dbraw/zinc/82/22/53/347822253.db2.gz ZAONIGHEODPZDW-UHFFFAOYSA-N 1 2 279.771 1.860 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)n1 ZINC000602481627 350113919 /nfs/dbraw/zinc/11/39/19/350113919.db2.gz CKDIDFVHFNSTAJ-GJZGRUSLSA-N 1 2 273.336 1.333 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)n1 ZINC000602481627 350113925 /nfs/dbraw/zinc/11/39/25/350113925.db2.gz CKDIDFVHFNSTAJ-GJZGRUSLSA-N 1 2 273.336 1.333 20 30 CDEDLO C[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)n2)c2nccn21 ZINC000602679800 350141129 /nfs/dbraw/zinc/14/11/29/350141129.db2.gz BXMDWLGJBWKNDF-GWCFXTLKSA-N 1 2 253.309 1.945 20 30 CDEDLO CO[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000602895055 350161503 /nfs/dbraw/zinc/16/15/03/350161503.db2.gz FJONOLRTFYSSOJ-CQSZACIVSA-N 1 2 262.309 1.242 20 30 CDEDLO CO[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000602895055 350161507 /nfs/dbraw/zinc/16/15/07/350161507.db2.gz FJONOLRTFYSSOJ-CQSZACIVSA-N 1 2 262.309 1.242 20 30 CDEDLO Cc1nc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)cs1 ZINC000603894291 350326731 /nfs/dbraw/zinc/32/67/31/350326731.db2.gz WSFSTKGFOPVRQE-UHFFFAOYSA-N 1 2 284.348 1.656 20 30 CDEDLO Cc1cc(C)n([C@H](C)CC(=O)N[C@@](C)(C#N)C[NH+](C)C)n1 ZINC000573854164 334971877 /nfs/dbraw/zinc/97/18/77/334971877.db2.gz QJHNBYYOGPIAJP-HIFRSBDPSA-N 1 2 291.399 1.411 20 30 CDEDLO Cc1nnc([C@H](C)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000292093558 198160221 /nfs/dbraw/zinc/16/02/21/198160221.db2.gz FTENKTTXQPXPNJ-GWCFXTLKSA-N 1 2 299.334 1.859 20 30 CDEDLO Cc1nnc([C@H](C)[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000292093558 198160223 /nfs/dbraw/zinc/16/02/23/198160223.db2.gz FTENKTTXQPXPNJ-GWCFXTLKSA-N 1 2 299.334 1.859 20 30 CDEDLO C=C[C@H](CO)NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000292383206 198266805 /nfs/dbraw/zinc/26/68/05/198266805.db2.gz KYXHIGBGUHPRGE-CYBMUJFWSA-N 1 2 290.367 1.028 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000157901399 188346357 /nfs/dbraw/zinc/34/63/57/188346357.db2.gz HTDQWJHYGHATMD-UHFFFAOYSA-N 1 2 270.376 1.705 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN(C)[C@@H](C(C)C)C1 ZINC000488004017 366091408 /nfs/dbraw/zinc/09/14/08/366091408.db2.gz VPAGQYCRIGFILJ-JKSUJKDBSA-N 1 2 293.455 1.848 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN(C)[C@@H](C(C)C)C1 ZINC000488004017 366091410 /nfs/dbraw/zinc/09/14/10/366091410.db2.gz VPAGQYCRIGFILJ-JKSUJKDBSA-N 1 2 293.455 1.848 20 30 CDEDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000336348515 356148012 /nfs/dbraw/zinc/14/80/12/356148012.db2.gz XKQZENLTERDBNF-ZMZPIMSZSA-N 1 2 265.382 1.240 20 30 CDEDLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000336348515 356148015 /nfs/dbraw/zinc/14/80/15/356148015.db2.gz XKQZENLTERDBNF-ZMZPIMSZSA-N 1 2 265.382 1.240 20 30 CDEDLO N#Cc1ccc(N2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000357586423 283170926 /nfs/dbraw/zinc/17/09/26/283170926.db2.gz XWPGWSNCQUURKP-UHFFFAOYSA-N 1 2 269.264 1.683 20 30 CDEDLO CC1=C(C(=O)NC[C@H](O)C[NH+]2CCOCC2)CCC1 ZINC000328847250 538441978 /nfs/dbraw/zinc/44/19/78/538441978.db2.gz YAZCOYKXNKBZPS-LBPRGKRZSA-N 1 2 268.357 1.136 20 30 CDEDLO CCc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000584048545 356855110 /nfs/dbraw/zinc/85/51/10/356855110.db2.gz VLLWMSCJSRNWEB-HNNXBMFYSA-N 1 2 261.369 1.867 20 30 CDEDLO CCc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000584048545 356855113 /nfs/dbraw/zinc/85/51/13/356855113.db2.gz VLLWMSCJSRNWEB-HNNXBMFYSA-N 1 2 261.369 1.867 20 30 CDEDLO CC[C@H]([NH2+]CCNC(O)=C1N=CC=CC1=O)C(C)C ZINC000180879746 357291657 /nfs/dbraw/zinc/29/16/57/357291657.db2.gz WKQSZBMEUHACCQ-IVPXEPLCSA-N 1 2 265.357 1.537 20 30 CDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)[NH+]1C ZINC000135262452 357824857 /nfs/dbraw/zinc/82/48/57/357824857.db2.gz PFMYTUZFYIJJMX-VXGBXAGGSA-N 1 2 293.392 1.271 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cn1 ZINC000337681290 358107545 /nfs/dbraw/zinc/10/75/45/358107545.db2.gz ZRVRCSBCWPJYSK-HNNXBMFYSA-N 1 2 293.330 1.135 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000518462721 358375212 /nfs/dbraw/zinc/37/52/12/358375212.db2.gz TXZZAXPJEULYJT-AWEZNQCLSA-N 1 2 290.323 1.097 20 30 CDEDLO CC[NH+]1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000132690459 358574733 /nfs/dbraw/zinc/57/47/33/358574733.db2.gz OWMICUWYYVTKKN-UHFFFAOYSA-N 1 2 279.290 1.614 20 30 CDEDLO N#CCCCNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000596553047 358663978 /nfs/dbraw/zinc/66/39/78/358663978.db2.gz DDBIJANIVJZTLO-UHFFFAOYSA-N 1 2 294.399 1.044 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000494636719 366508854 /nfs/dbraw/zinc/50/88/54/366508854.db2.gz YXVLXUBIPDWPKD-UHFFFAOYSA-N 1 2 263.297 1.960 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000494636719 366508860 /nfs/dbraw/zinc/50/88/60/366508860.db2.gz YXVLXUBIPDWPKD-UHFFFAOYSA-N 1 2 263.297 1.960 20 30 CDEDLO NC(=[NH+]OC[C@@H]1CNC(=O)O1)c1ccc(Cl)cc1 ZINC000495581226 366529714 /nfs/dbraw/zinc/52/97/14/366529714.db2.gz AAKDTWFTANHEAB-VIFPVBQESA-N 1 2 269.688 1.085 20 30 CDEDLO CC[N@H+](CCC#N)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000042450527 358948391 /nfs/dbraw/zinc/94/83/91/358948391.db2.gz PDOAOXMPEMLNGK-CQSZACIVSA-N 1 2 273.336 1.534 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000042450527 358948395 /nfs/dbraw/zinc/94/83/95/358948395.db2.gz PDOAOXMPEMLNGK-CQSZACIVSA-N 1 2 273.336 1.534 20 30 CDEDLO CC(C)[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000346536687 359023918 /nfs/dbraw/zinc/02/39/18/359023918.db2.gz QWPGOLIIPMBDOK-OLZOCXBDSA-N 1 2 279.384 1.294 20 30 CDEDLO CC(C)[C@@H]1C[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000346536687 359023921 /nfs/dbraw/zinc/02/39/21/359023921.db2.gz QWPGOLIIPMBDOK-OLZOCXBDSA-N 1 2 279.384 1.294 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000346483937 359017343 /nfs/dbraw/zinc/01/73/43/359017343.db2.gz KUZXGBHYROKHBP-YNEHKIRRSA-N 1 2 272.352 1.572 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000338162747 359092177 /nfs/dbraw/zinc/09/21/77/359092177.db2.gz RMCVLJGUZQMPFH-LLVKDONJSA-N 1 2 268.320 1.882 20 30 CDEDLO C#CC[NH+]1CCN(c2ncnc3cccc(F)c32)CC1 ZINC000264837890 359315693 /nfs/dbraw/zinc/31/56/93/359315693.db2.gz JCHJHLIAVCVIEU-UHFFFAOYSA-N 1 2 270.311 1.524 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2ncc(C)s2)CC1 ZINC000265449836 359330082 /nfs/dbraw/zinc/33/00/82/359330082.db2.gz SZCHZNBGNHNPIO-LBPRGKRZSA-N 1 2 294.424 1.264 20 30 CDEDLO C#CC[N@@H+](CC)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000266924540 359346026 /nfs/dbraw/zinc/34/60/26/359346026.db2.gz MZGVMTNJVGIRBD-UHFFFAOYSA-N 1 2 285.303 1.920 20 30 CDEDLO C#CC[N@H+](CC)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000266924540 359346030 /nfs/dbraw/zinc/34/60/30/359346030.db2.gz MZGVMTNJVGIRBD-UHFFFAOYSA-N 1 2 285.303 1.920 20 30 CDEDLO C=CCCOCCNC(=O)NCCNc1cccc[nH+]1 ZINC000270164257 359389650 /nfs/dbraw/zinc/38/96/50/359389650.db2.gz BHXHPFUFDMBNCK-UHFFFAOYSA-N 1 2 278.356 1.385 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1ccc(OC)cc1)C1CC1 ZINC000274163376 359490558 /nfs/dbraw/zinc/49/05/58/359490558.db2.gz MOPVGJRDVDZLLD-UHFFFAOYSA-N 1 2 258.321 1.731 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1ccc(OC)cc1)C1CC1 ZINC000274163376 359490564 /nfs/dbraw/zinc/49/05/64/359490564.db2.gz MOPVGJRDVDZLLD-UHFFFAOYSA-N 1 2 258.321 1.731 20 30 CDEDLO C[C@@]1([NH2+]CCCOc2cccc(C#N)c2)CCOC1=O ZINC000289643090 359657390 /nfs/dbraw/zinc/65/73/90/359657390.db2.gz SNZMNLWNYDXQOO-OAHLLOKOSA-N 1 2 274.320 1.622 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCc3n[nH]cc3C2)c(F)c1 ZINC000118854562 359818403 /nfs/dbraw/zinc/81/84/03/359818403.db2.gz PEDWRBAMMFWNLP-UHFFFAOYSA-N 1 2 256.284 1.979 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCc3n[nH]cc3C2)c(F)c1 ZINC000118854562 359818407 /nfs/dbraw/zinc/81/84/07/359818407.db2.gz PEDWRBAMMFWNLP-UHFFFAOYSA-N 1 2 256.284 1.979 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496084167 366639003 /nfs/dbraw/zinc/63/90/03/366639003.db2.gz IBFZMJHEBGHOQL-NEPJUHHUSA-N 1 2 285.388 1.306 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496084167 366639004 /nfs/dbraw/zinc/63/90/04/366639004.db2.gz IBFZMJHEBGHOQL-NEPJUHHUSA-N 1 2 285.388 1.306 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1cccnc1 ZINC000348362931 360028030 /nfs/dbraw/zinc/02/80/30/360028030.db2.gz CZZUZMMRLGIVJL-CZUORRHYSA-N 1 2 288.395 1.956 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1cccnc1 ZINC000348362931 360028036 /nfs/dbraw/zinc/02/80/36/360028036.db2.gz CZZUZMMRLGIVJL-CZUORRHYSA-N 1 2 288.395 1.956 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)c2ncc(C)o2)C1=O ZINC000337239923 360042364 /nfs/dbraw/zinc/04/23/64/360042364.db2.gz ZZFDORFHDBWQBR-NEPJUHHUSA-N 1 2 263.341 1.763 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)c2ncc(C)o2)C1=O ZINC000337239923 360042366 /nfs/dbraw/zinc/04/23/66/360042366.db2.gz ZZFDORFHDBWQBR-NEPJUHHUSA-N 1 2 263.341 1.763 20 30 CDEDLO N#Cc1cc(F)c(C(=O)NCCc2[nH]cc[nH+]2)c(F)c1 ZINC000176351551 238209380 /nfs/dbraw/zinc/20/93/80/238209380.db2.gz DLRSAPRMRVPQBF-UHFFFAOYSA-N 1 2 276.246 1.532 20 30 CDEDLO CCC[N@H+](CC(=O)OC)Cc1ccc(C#N)cc1OC ZINC000179656289 189210342 /nfs/dbraw/zinc/21/03/42/189210342.db2.gz OOMSFCZLSHGIIT-UHFFFAOYSA-N 1 2 276.336 1.952 20 30 CDEDLO CCC[N@@H+](CC(=O)OC)Cc1ccc(C#N)cc1OC ZINC000179656289 189210343 /nfs/dbraw/zinc/21/03/43/189210343.db2.gz OOMSFCZLSHGIIT-UHFFFAOYSA-N 1 2 276.336 1.952 20 30 CDEDLO CCCCOCCNC(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433291409 361227114 /nfs/dbraw/zinc/22/71/14/361227114.db2.gz VXIUHJSTSGRPIZ-UHFFFAOYSA-N 1 2 269.389 1.401 20 30 CDEDLO CCCCOCCNC(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433291409 361227115 /nfs/dbraw/zinc/22/71/15/361227115.db2.gz VXIUHJSTSGRPIZ-UHFFFAOYSA-N 1 2 269.389 1.401 20 30 CDEDLO C[N@H+](CCn1cnc2ccccc2c1=O)CC(C)(C)C#N ZINC000433304902 361231792 /nfs/dbraw/zinc/23/17/92/361231792.db2.gz OJSMZYUUCRFZBM-UHFFFAOYSA-N 1 2 284.363 1.878 20 30 CDEDLO C[N@@H+](CCn1cnc2ccccc2c1=O)CC(C)(C)C#N ZINC000433304902 361231797 /nfs/dbraw/zinc/23/17/97/361231797.db2.gz OJSMZYUUCRFZBM-UHFFFAOYSA-N 1 2 284.363 1.878 20 30 CDEDLO C=CCCOCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000536066816 361241547 /nfs/dbraw/zinc/24/15/47/361241547.db2.gz RFRKKFPGOUDRJS-UHFFFAOYSA-N 1 2 287.363 1.894 20 30 CDEDLO CC(C)c1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cn1 ZINC000566309286 370680523 /nfs/dbraw/zinc/68/05/23/370680523.db2.gz NEANJMBDCGIMMX-HNNXBMFYSA-N 1 2 274.368 1.779 20 30 CDEDLO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)N1CCOCC1 ZINC000329333028 361480820 /nfs/dbraw/zinc/48/08/20/361480820.db2.gz NDSAWBCNOGURMN-UHFFFAOYSA-N 1 2 286.335 1.823 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CCCOCC2)C1 ZINC000329405658 361501880 /nfs/dbraw/zinc/50/18/80/361501880.db2.gz ASBGRHRSEIGHCU-OLZOCXBDSA-N 1 2 292.383 1.693 20 30 CDEDLO C[C@@H]1C[C@H](CCNC(=O)NC[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC000329677180 361702544 /nfs/dbraw/zinc/70/25/44/361702544.db2.gz WNQPJFMKFGOEDU-MGPQQGTHSA-N 1 2 299.415 1.026 20 30 CDEDLO C[C@@H]1C[C@H](CCNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC000329677180 361702549 /nfs/dbraw/zinc/70/25/49/361702549.db2.gz WNQPJFMKFGOEDU-MGPQQGTHSA-N 1 2 299.415 1.026 20 30 CDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCOC[C@H]2C2CC2)c1 ZINC000366911026 364323952 /nfs/dbraw/zinc/32/39/52/364323952.db2.gz RIGHPFOTBRUUAP-INIZCTEOSA-N 1 2 299.374 1.285 20 30 CDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCOC[C@H]2C2CC2)c1 ZINC000366911026 364323957 /nfs/dbraw/zinc/32/39/57/364323957.db2.gz RIGHPFOTBRUUAP-INIZCTEOSA-N 1 2 299.374 1.285 20 30 CDEDLO COCC[N@H+](CCC#N)CCc1c(C)noc1C ZINC000166247988 364895185 /nfs/dbraw/zinc/89/51/85/364895185.db2.gz DHANUGOYFOJZSE-UHFFFAOYSA-N 1 2 251.330 1.696 20 30 CDEDLO COCC[N@@H+](CCC#N)CCc1c(C)noc1C ZINC000166247988 364895192 /nfs/dbraw/zinc/89/51/92/364895192.db2.gz DHANUGOYFOJZSE-UHFFFAOYSA-N 1 2 251.330 1.696 20 30 CDEDLO C=CC[N@H+](CC(=O)NCC(=O)c1cccs1)C1CC1 ZINC000357525146 367047044 /nfs/dbraw/zinc/04/70/44/367047044.db2.gz DJFBQCIDPKNJRG-UHFFFAOYSA-N 1 2 278.377 1.697 20 30 CDEDLO C=CC[N@@H+](CC(=O)NCC(=O)c1cccs1)C1CC1 ZINC000357525146 367047051 /nfs/dbraw/zinc/04/70/51/367047051.db2.gz DJFBQCIDPKNJRG-UHFFFAOYSA-N 1 2 278.377 1.697 20 30 CDEDLO C=CCOCCCn1c2ccccc2[nH+]c1NC[C@H](C)O ZINC000358564836 367778041 /nfs/dbraw/zinc/77/80/41/367778041.db2.gz UORXKRCQQUUDIC-ZDUSSCGKSA-N 1 2 289.379 1.844 20 30 CDEDLO C=CCN(C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000153993087 370892704 /nfs/dbraw/zinc/89/27/04/370892704.db2.gz MHKOUYCAFUAXQV-AWEZNQCLSA-N 1 2 299.440 1.022 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000565431164 370445393 /nfs/dbraw/zinc/44/53/93/370445393.db2.gz HIUVAKQBQCDNHO-GHMZBOCLSA-N 1 2 251.330 1.032 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000565431164 370445396 /nfs/dbraw/zinc/44/53/96/370445396.db2.gz HIUVAKQBQCDNHO-GHMZBOCLSA-N 1 2 251.330 1.032 20 30 CDEDLO CC(C)Oc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cn1 ZINC000574104759 371698920 /nfs/dbraw/zinc/69/89/20/371698920.db2.gz OFANJLZUHUXQHG-OAHLLOKOSA-N 1 2 290.367 1.442 20 30 CDEDLO N#Cc1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)nc1 ZINC000178350423 372180413 /nfs/dbraw/zinc/18/04/13/372180413.db2.gz JCGDUBRQYOYQBS-UHFFFAOYSA-N 1 2 277.287 1.531 20 30 CDEDLO Cc1cccc2c1O[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C2 ZINC000579243582 372556076 /nfs/dbraw/zinc/55/60/76/372556076.db2.gz COACYUORZKKWHK-XJKSGUPXSA-N 1 2 287.363 1.259 20 30 CDEDLO C[C@@H](C#N)CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000182735191 372621001 /nfs/dbraw/zinc/62/10/01/372621001.db2.gz IZJVRMYVPFDOGU-RYUDHWBXSA-N 1 2 273.340 1.119 20 30 CDEDLO C[C@H](NC(=O)C#Cc1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000176234169 372717867 /nfs/dbraw/zinc/71/78/67/372717867.db2.gz DSPSAEYSSQKPHO-GJZGRUSLSA-N 1 2 286.375 1.264 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCN(CCC)C(=O)C1 ZINC000189389940 373276270 /nfs/dbraw/zinc/27/62/70/373276270.db2.gz UBXSLHKHOPVJHO-UHFFFAOYSA-N 1 2 293.411 1.131 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCN(CCC)C(=O)C1 ZINC000189389940 373276278 /nfs/dbraw/zinc/27/62/78/373276278.db2.gz UBXSLHKHOPVJHO-UHFFFAOYSA-N 1 2 293.411 1.131 20 30 CDEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc(C#N)cs1)CCO2 ZINC000355219248 373824654 /nfs/dbraw/zinc/82/46/54/373824654.db2.gz LRIRYDKCQLXBCC-SMDDNHRTSA-N 1 2 278.377 2.000 20 30 CDEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc(C#N)cs1)CCO2 ZINC000355219248 373824662 /nfs/dbraw/zinc/82/46/62/373824662.db2.gz LRIRYDKCQLXBCC-SMDDNHRTSA-N 1 2 278.377 2.000 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000103139763 373832514 /nfs/dbraw/zinc/83/25/14/373832514.db2.gz FIMIPHRKYRPOFE-HNNXBMFYSA-N 1 2 287.338 1.940 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000103139763 373832524 /nfs/dbraw/zinc/83/25/24/373832524.db2.gz FIMIPHRKYRPOFE-HNNXBMFYSA-N 1 2 287.338 1.940 20 30 CDEDLO COCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000298764726 373868109 /nfs/dbraw/zinc/86/81/09/373868109.db2.gz BZDBKNNTVDIDCO-UHFFFAOYSA-N 1 2 281.743 1.728 20 30 CDEDLO COCC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000298764726 373868113 /nfs/dbraw/zinc/86/81/13/373868113.db2.gz BZDBKNNTVDIDCO-UHFFFAOYSA-N 1 2 281.743 1.728 20 30 CDEDLO C#CCOc1ccccc1C[NH+]1CC(O)(C(C)C)C1 ZINC000839133635 781963911 /nfs/dbraw/zinc/96/39/11/781963911.db2.gz XGSQXOLRFPKSMC-UHFFFAOYSA-N 1 2 259.349 1.901 20 30 CDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCOCC23CCC3)c1 ZINC000359976992 373994452 /nfs/dbraw/zinc/99/44/52/373994452.db2.gz JCERETCOJGZJDW-UHFFFAOYSA-N 1 2 299.374 1.429 20 30 CDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCOCC23CCC3)c1 ZINC000359976992 373994461 /nfs/dbraw/zinc/99/44/61/373994461.db2.gz JCERETCOJGZJDW-UHFFFAOYSA-N 1 2 299.374 1.429 20 30 CDEDLO Cn1cc[nH+]c1CNc1ccc([N+](=O)[O-])cc1C#N ZINC000051923174 374043522 /nfs/dbraw/zinc/04/35/22/374043522.db2.gz JNCDXNFCUDBRTK-UHFFFAOYSA-N 1 2 257.253 1.812 20 30 CDEDLO Cc1nn(C)c(N2CCN(c3cc[nH+]c(C)n3)CC2)c1C#N ZINC000350725191 374064495 /nfs/dbraw/zinc/06/44/95/374064495.db2.gz UGUDQWUXNSLAOA-UHFFFAOYSA-N 1 2 297.366 1.025 20 30 CDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000370745561 374401041 /nfs/dbraw/zinc/40/10/41/374401041.db2.gz RYRCQNKZTWWTSO-JKSUJKDBSA-N 1 2 299.374 1.428 20 30 CDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000370745561 374401050 /nfs/dbraw/zinc/40/10/50/374401050.db2.gz RYRCQNKZTWWTSO-JKSUJKDBSA-N 1 2 299.374 1.428 20 30 CDEDLO C[C@@H]1CC[N@H+](CCOc2ccc(C#N)cc2)CC[S@@]1=O ZINC000277186448 374776585 /nfs/dbraw/zinc/77/65/85/374776585.db2.gz LQPATVNEAUABMW-XCLFUZPHSA-N 1 2 292.404 1.780 20 30 CDEDLO C[C@@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)CC[S@@]1=O ZINC000277186448 374776593 /nfs/dbraw/zinc/77/65/93/374776593.db2.gz LQPATVNEAUABMW-XCLFUZPHSA-N 1 2 292.404 1.780 20 30 CDEDLO N#Cc1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccn1 ZINC000280151309 374984949 /nfs/dbraw/zinc/98/49/49/374984949.db2.gz DRJJVPHVTLVGGU-LBPRGKRZSA-N 1 2 281.319 1.696 20 30 CDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCn2cc[nH+]c2C1 ZINC000332577997 375037982 /nfs/dbraw/zinc/03/79/82/375037982.db2.gz GRZCHXFNJNPRJZ-GFCCVEGCSA-N 1 2 296.330 1.564 20 30 CDEDLO CCN(CC)C(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352485557 284534383 /nfs/dbraw/zinc/53/43/83/284534383.db2.gz ZQRSYOCPLZCTOW-NSHDSACASA-N 1 2 255.337 1.571 20 30 CDEDLO CC(C)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000060855743 375854200 /nfs/dbraw/zinc/85/42/00/375854200.db2.gz OGSPGCJGKNDDSM-UHFFFAOYSA-N 1 2 267.373 1.107 20 30 CDEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC[C@@H](CO)C1 ZINC000328624953 375899760 /nfs/dbraw/zinc/89/97/60/375899760.db2.gz ZXCSQFONUKVWPJ-OLZOCXBDSA-N 1 2 292.383 1.379 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC000328675307 375918201 /nfs/dbraw/zinc/91/82/01/375918201.db2.gz QSEZGIMLAHNMHN-RISCZKNCSA-N 1 2 283.372 1.420 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)C[C@H](CC)O1 ZINC000420955457 376505384 /nfs/dbraw/zinc/50/53/84/376505384.db2.gz LRAGPXCBOQEOJD-BETUJISGSA-N 1 2 279.384 1.438 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)C[C@H](CC)O1 ZINC000420955457 376505387 /nfs/dbraw/zinc/50/53/87/376505387.db2.gz LRAGPXCBOQEOJD-BETUJISGSA-N 1 2 279.384 1.438 20 30 CDEDLO CC[N@H+](CCN1C(=O)c2ccccc2C1=O)C[C@@H](C)C#N ZINC000066424535 376657719 /nfs/dbraw/zinc/65/77/19/376657719.db2.gz PJYKFIHLMBPLOI-LBPRGKRZSA-N 1 2 285.347 1.764 20 30 CDEDLO CC[N@@H+](CCN1C(=O)c2ccccc2C1=O)C[C@@H](C)C#N ZINC000066424535 376657722 /nfs/dbraw/zinc/65/77/22/376657722.db2.gz PJYKFIHLMBPLOI-LBPRGKRZSA-N 1 2 285.347 1.764 20 30 CDEDLO N#CCC[C@H](C#N)C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000032514636 377052495 /nfs/dbraw/zinc/05/24/95/377052495.db2.gz NPTMBDWMOJZIKV-CQSZACIVSA-N 1 2 284.363 1.958 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)CCc1nc2ccccc2c(=O)[nH]1 ZINC000161922534 377794697 /nfs/dbraw/zinc/79/46/97/377794697.db2.gz WPMLSHVYEAKSCK-LLVKDONJSA-N 1 2 270.336 1.700 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)CCc1nc2ccccc2c(=O)[nH]1 ZINC000161922534 377794700 /nfs/dbraw/zinc/79/47/00/377794700.db2.gz WPMLSHVYEAKSCK-LLVKDONJSA-N 1 2 270.336 1.700 20 30 CDEDLO CCn1cc[nH+]c1CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000069348592 378016388 /nfs/dbraw/zinc/01/63/88/378016388.db2.gz PICFXEFGEAJTKA-UHFFFAOYSA-N 1 2 296.378 1.492 20 30 CDEDLO C#C[C@@H](NC(=O)NCc1ccc(N(C)C)[nH+]c1)C(C)C ZINC000282230481 378030659 /nfs/dbraw/zinc/03/06/59/378030659.db2.gz NJDBDOOFMGUJOI-CYBMUJFWSA-N 1 2 274.368 1.605 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289975575 378357644 /nfs/dbraw/zinc/35/76/44/378357644.db2.gz RKMRFNXWCKJRCE-JQWIXIFHSA-N 1 2 282.775 1.474 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289975575 378357647 /nfs/dbraw/zinc/35/76/47/378357647.db2.gz RKMRFNXWCKJRCE-JQWIXIFHSA-N 1 2 282.775 1.474 20 30 CDEDLO CC#CC[N@H+](C)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000293098568 378537297 /nfs/dbraw/zinc/53/72/97/378537297.db2.gz KVXAUFMDJIKKHA-UHFFFAOYSA-N 1 2 296.392 1.519 20 30 CDEDLO CC#CC[N@@H+](C)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000293098568 378537308 /nfs/dbraw/zinc/53/73/08/378537308.db2.gz KVXAUFMDJIKKHA-UHFFFAOYSA-N 1 2 296.392 1.519 20 30 CDEDLO C#CCNC(=O)CC[N@H+]1CCOC[C@H]1c1ccc(CC)o1 ZINC000292947004 378529370 /nfs/dbraw/zinc/52/93/70/378529370.db2.gz BTXBQILAKVNRKC-AWEZNQCLSA-N 1 2 290.363 1.355 20 30 CDEDLO C#CCNC(=O)CC[N@@H+]1CCOC[C@H]1c1ccc(CC)o1 ZINC000292947004 378529372 /nfs/dbraw/zinc/52/93/72/378529372.db2.gz BTXBQILAKVNRKC-AWEZNQCLSA-N 1 2 290.363 1.355 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000266966539 378938191 /nfs/dbraw/zinc/93/81/91/378938191.db2.gz JQQWGDOSNKQDCR-LLVKDONJSA-N 1 2 284.319 1.674 20 30 CDEDLO CC[C@@H](CC#N)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000343862737 379009774 /nfs/dbraw/zinc/00/97/74/379009774.db2.gz HVQBBYDZRCRYDQ-NSHDSACASA-N 1 2 273.327 1.772 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000278625481 194074288 /nfs/dbraw/zinc/07/42/88/194074288.db2.gz MUCPPRBSNBTMST-HNNXBMFYSA-N 1 2 273.336 1.320 20 30 CDEDLO C#CCCCc1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000288975100 197204515 /nfs/dbraw/zinc/20/45/15/197204515.db2.gz BOTJLACSLCKHMH-QWHCGFSZSA-N 1 2 275.352 1.951 20 30 CDEDLO C#CCCCc1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000288975100 197204517 /nfs/dbraw/zinc/20/45/17/197204517.db2.gz BOTJLACSLCKHMH-QWHCGFSZSA-N 1 2 275.352 1.951 20 30 CDEDLO C[C@@H](C#N)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000347076533 533123556 /nfs/dbraw/zinc/12/35/56/533123556.db2.gz TVMKDEUFFATGQB-ZETCQYMHSA-N 1 2 250.327 1.229 20 30 CDEDLO C[C@@H](C#N)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000347076533 533123560 /nfs/dbraw/zinc/12/35/60/533123560.db2.gz TVMKDEUFFATGQB-ZETCQYMHSA-N 1 2 250.327 1.229 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](C)OC ZINC000285903825 390186141 /nfs/dbraw/zinc/18/61/41/390186141.db2.gz ZXJTYOXUOYFUSF-BXUZGUMPSA-N 1 2 276.336 1.739 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](C)OC ZINC000285903825 390186143 /nfs/dbraw/zinc/18/61/43/390186143.db2.gz ZXJTYOXUOYFUSF-BXUZGUMPSA-N 1 2 276.336 1.739 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)[nH]1 ZINC000335313467 390647320 /nfs/dbraw/zinc/64/73/20/390647320.db2.gz WZFNOHMWLHMBQZ-OAHLLOKOSA-N 1 2 298.321 1.812 20 30 CDEDLO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc(C#N)c(O)c1 ZINC000188707074 390677625 /nfs/dbraw/zinc/67/76/25/390677625.db2.gz IORGQEBFFHZGAR-UHFFFAOYSA-N 1 2 298.346 1.931 20 30 CDEDLO N#C[C@H](c1ccccc1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000121386413 390885324 /nfs/dbraw/zinc/88/53/24/390885324.db2.gz AORULHSZUBVRKF-OAHLLOKOSA-N 1 2 281.363 1.792 20 30 CDEDLO C[C@H]1CCN(C(=O)C2(C#N)CCC2)C[C@H]1n1cc[nH+]c1 ZINC000124120092 390913224 /nfs/dbraw/zinc/91/32/24/390913224.db2.gz XLVRWDCNQBETAO-QWHCGFSZSA-N 1 2 272.352 1.986 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c1 ZINC000168535653 390933103 /nfs/dbraw/zinc/93/31/03/390933103.db2.gz GBBVHCUTULYXJZ-CQSZACIVSA-N 1 2 255.321 1.365 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)c1 ZINC000168535653 390933104 /nfs/dbraw/zinc/93/31/04/390933104.db2.gz GBBVHCUTULYXJZ-CQSZACIVSA-N 1 2 255.321 1.365 20 30 CDEDLO O=C(NCCc1cscn1)C1([NH+]2CCOCC2)CCC1 ZINC000329429868 390986954 /nfs/dbraw/zinc/98/69/54/390986954.db2.gz HDSHQBRXIGBYBT-UHFFFAOYSA-N 1 2 295.408 1.897 20 30 CDEDLO CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329529843 391005596 /nfs/dbraw/zinc/00/55/96/391005596.db2.gz VKSOAGOMLJTVRV-HZSPNIEDSA-N 1 2 296.411 1.746 20 30 CDEDLO CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329529843 391005601 /nfs/dbraw/zinc/00/56/01/391005601.db2.gz VKSOAGOMLJTVRV-HZSPNIEDSA-N 1 2 296.411 1.746 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CC[C@H](F)C1)N1CCn2c[nH+]cc2C1 ZINC000329648871 391063651 /nfs/dbraw/zinc/06/36/51/391063651.db2.gz JKLIFXTVUBIDHS-VHSXEESVSA-N 1 2 252.293 1.503 20 30 CDEDLO O=C(N[C@@H]1CC[C@H](F)C1)N1CCn2c[nH+]cc2C1 ZINC000329648871 391063655 /nfs/dbraw/zinc/06/36/55/391063655.db2.gz JKLIFXTVUBIDHS-VHSXEESVSA-N 1 2 252.293 1.503 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(/C=C/C)cc2)CC1 ZINC000491416033 391117048 /nfs/dbraw/zinc/11/70/48/391117048.db2.gz JMSTYLSIHGNACT-HWKANZROSA-N 1 2 297.402 1.909 20 30 CDEDLO COc1cccc(C(N)=[NH+]OCC(=O)NC2CCCC2)c1 ZINC000174212582 391118972 /nfs/dbraw/zinc/11/89/72/391118972.db2.gz BLYVNQOFSAIUAX-UHFFFAOYSA-N 1 2 291.351 1.391 20 30 CDEDLO CO[C@@H]1CC[C@H]([NH+]=C([O-])NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329971147 533434251 /nfs/dbraw/zinc/43/42/51/533434251.db2.gz XNDKACWSHOGEFZ-RWMBFGLXSA-N 1 2 292.383 1.517 20 30 CDEDLO CO[C@@H]1CC[C@H](NC([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329971147 533434258 /nfs/dbraw/zinc/43/42/58/533434258.db2.gz XNDKACWSHOGEFZ-RWMBFGLXSA-N 1 2 292.383 1.517 20 30 CDEDLO Cn1cc[nH+]c1CN(CCC#N)Cc1ccccn1 ZINC000178389041 391185929 /nfs/dbraw/zinc/18/59/29/391185929.db2.gz JGZKMOGDPJAYNN-UHFFFAOYSA-N 1 2 255.325 1.731 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1CCN(Cc2cccnc2)C1=O ZINC000491660573 391188342 /nfs/dbraw/zinc/18/83/42/391188342.db2.gz JXEKBPTUJBIITQ-ZDUSSCGKSA-N 1 2 272.352 1.230 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1CCN(Cc2cccnc2)C1=O ZINC000491660573 391188345 /nfs/dbraw/zinc/18/83/45/391188345.db2.gz JXEKBPTUJBIITQ-ZDUSSCGKSA-N 1 2 272.352 1.230 20 30 CDEDLO CC(C)OCCO[NH+]=C(N)COc1ccccc1 ZINC000181547842 391224407 /nfs/dbraw/zinc/22/44/07/391224407.db2.gz TUXCINMGBBBGPD-UHFFFAOYSA-N 1 2 252.314 1.779 20 30 CDEDLO CC[C@@H](CC#N)NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000183914872 391273853 /nfs/dbraw/zinc/27/38/53/391273853.db2.gz CCOGGARIQIDNJJ-LBPRGKRZSA-N 1 2 269.308 1.689 20 30 CDEDLO CC#CC[N@H+](C)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000339754001 391348732 /nfs/dbraw/zinc/34/87/32/391348732.db2.gz MHPQRQMXQJKOBN-GFCCVEGCSA-N 1 2 295.180 1.931 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000339754001 391348735 /nfs/dbraw/zinc/34/87/35/391348735.db2.gz MHPQRQMXQJKOBN-GFCCVEGCSA-N 1 2 295.180 1.931 20 30 CDEDLO C=CCOCC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000354282896 391412876 /nfs/dbraw/zinc/41/28/76/391412876.db2.gz QPNAESVKEWBYSD-UHFFFAOYSA-N 1 2 259.309 1.196 20 30 CDEDLO CC(C)c1nc([C@@H]2CCC[N@H+](CC(=O)NCC#N)C2)no1 ZINC000330666039 391457609 /nfs/dbraw/zinc/45/76/09/391457609.db2.gz RTHRDSIZDFKLBP-LLVKDONJSA-N 1 2 291.355 1.012 20 30 CDEDLO CC(C)c1nc([C@@H]2CCC[N@@H+](CC(=O)NCC#N)C2)no1 ZINC000330666039 391457613 /nfs/dbraw/zinc/45/76/13/391457613.db2.gz RTHRDSIZDFKLBP-LLVKDONJSA-N 1 2 291.355 1.012 20 30 CDEDLO C=CCCC1(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000355656592 391462773 /nfs/dbraw/zinc/46/27/73/391462773.db2.gz JAAFYCWTAQHOFH-KGLIPLIRSA-N 1 2 280.412 1.958 20 30 CDEDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccccc1C#N ZINC000350873503 391484450 /nfs/dbraw/zinc/48/44/50/391484450.db2.gz ZFEJLNNDYVWJJN-NWDGAFQWSA-N 1 2 293.392 1.271 20 30 CDEDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccccc1C#N ZINC000350873503 391484451 /nfs/dbraw/zinc/48/44/51/391484451.db2.gz ZFEJLNNDYVWJJN-NWDGAFQWSA-N 1 2 293.392 1.271 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)NC(C)(C)C)C1=O ZINC000330403514 391416953 /nfs/dbraw/zinc/41/69/53/391416953.db2.gz VLGOVCGIBRVBTJ-VXGBXAGGSA-N 1 2 281.400 1.008 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)NC(C)(C)C)C1=O ZINC000330403514 391416955 /nfs/dbraw/zinc/41/69/55/391416955.db2.gz VLGOVCGIBRVBTJ-VXGBXAGGSA-N 1 2 281.400 1.008 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)ccc1F ZINC000231625856 391629017 /nfs/dbraw/zinc/62/90/17/391629017.db2.gz FDEHLJYGMCQEQG-CYBMUJFWSA-N 1 2 273.311 1.504 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)ccc1F ZINC000231625856 391629022 /nfs/dbraw/zinc/62/90/22/391629022.db2.gz FDEHLJYGMCQEQG-CYBMUJFWSA-N 1 2 273.311 1.504 20 30 CDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1ccccc1C#N ZINC000367211933 391630754 /nfs/dbraw/zinc/63/07/54/391630754.db2.gz NWCYAZBFOZAEQQ-RHSMWYFYSA-N 1 2 285.391 1.853 20 30 CDEDLO C=CC[C@H](CC)NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000358991903 391571163 /nfs/dbraw/zinc/57/11/63/391571163.db2.gz NCUPPWYNHNUAMF-MCIONIFRSA-N 1 2 283.416 1.750 20 30 CDEDLO C=CCCCC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000359025246 391574150 /nfs/dbraw/zinc/57/41/50/391574150.db2.gz FTTMSWUBGVBOJZ-ZDUSSCGKSA-N 1 2 293.411 1.154 20 30 CDEDLO N#CCCCC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000360327173 391655577 /nfs/dbraw/zinc/65/55/77/391655577.db2.gz KCZRAHDBSMLBSH-ZDUSSCGKSA-N 1 2 259.309 1.755 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](CC)C(=O)OCC)C1=O ZINC000282024140 391668687 /nfs/dbraw/zinc/66/86/87/391668687.db2.gz PLRBFOWANKGTDI-VXGBXAGGSA-N 1 2 268.357 1.047 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](CC)C(=O)OCC)C1=O ZINC000282024140 391668691 /nfs/dbraw/zinc/66/86/91/391668691.db2.gz PLRBFOWANKGTDI-VXGBXAGGSA-N 1 2 268.357 1.047 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@]23CCOC3=O)s1 ZINC000190042002 130054799 /nfs/dbraw/zinc/05/47/99/130054799.db2.gz ACTWYTDVDVPQHW-ZDUSSCGKSA-N 1 2 262.334 1.901 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@]23CCOC3=O)s1 ZINC000190042002 130054800 /nfs/dbraw/zinc/05/48/00/130054800.db2.gz ACTWYTDVDVPQHW-ZDUSSCGKSA-N 1 2 262.334 1.901 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CCOC[C@]23CCOC3)cc1 ZINC000289704642 391761966 /nfs/dbraw/zinc/76/19/66/391761966.db2.gz NSSBSBXHSITVGD-MRXNPFEDSA-N 1 2 257.333 1.659 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CCOC[C@]23CCOC3)cc1 ZINC000289704642 391761971 /nfs/dbraw/zinc/76/19/71/391761971.db2.gz NSSBSBXHSITVGD-MRXNPFEDSA-N 1 2 257.333 1.659 20 30 CDEDLO C[C@@H]1C[C@H](CCNC(=O)N2CCn3cc[nH+]c3C2)CCO1 ZINC000329764046 391774765 /nfs/dbraw/zinc/77/47/65/391774765.db2.gz VHFBLPUTZJYDIE-CHWSQXEVSA-N 1 2 292.383 1.818 20 30 CDEDLO N#CCC1(O)C[NH+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000189541695 391769072 /nfs/dbraw/zinc/76/90/72/391769072.db2.gz LNANHXMPKOWSMU-UHFFFAOYSA-N 1 2 269.304 1.401 20 30 CDEDLO C=CC[N@@H+](Cc1cc(C#N)n(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000191265485 130210878 /nfs/dbraw/zinc/21/08/78/130210878.db2.gz XEKTUILFVKTUKA-ZDUSSCGKSA-N 1 2 293.392 1.072 20 30 CDEDLO C=CC[N@H+](Cc1cc(C#N)n(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000191265485 130210880 /nfs/dbraw/zinc/21/08/80/130210880.db2.gz XEKTUILFVKTUKA-ZDUSSCGKSA-N 1 2 293.392 1.072 20 30 CDEDLO Cc1cccnc1CNC(=O)N1CCn2cc[nH+]c2C1 ZINC000329862373 391790631 /nfs/dbraw/zinc/79/06/31/391790631.db2.gz YMKNLNCAADIGAL-UHFFFAOYSA-N 1 2 271.324 1.516 20 30 CDEDLO C#CC[N@@H+](CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 ZINC000491380610 391853627 /nfs/dbraw/zinc/85/36/27/391853627.db2.gz AALRWTUXOXVADZ-HNNXBMFYSA-N 1 2 292.404 1.055 20 30 CDEDLO C#CC[N@H+](CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 ZINC000491380610 391853631 /nfs/dbraw/zinc/85/36/31/391853631.db2.gz AALRWTUXOXVADZ-HNNXBMFYSA-N 1 2 292.404 1.055 20 30 CDEDLO Cc1nc(CC(N)=[NH+]OCc2nc(C(C)C)no2)cs1 ZINC000172412318 391853977 /nfs/dbraw/zinc/85/39/77/391853977.db2.gz WZWTVAKYMVJOBB-UHFFFAOYSA-N 1 2 295.368 1.989 20 30 CDEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(CC(F)(F)F)CC2)C1 ZINC000334254238 392053892 /nfs/dbraw/zinc/05/38/92/392053892.db2.gz MSVLTNIIEWEUFK-MNOVXSKESA-N 1 2 261.291 1.859 20 30 CDEDLO C[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)[C@H]1CO ZINC000248957708 131120085 /nfs/dbraw/zinc/12/00/85/131120085.db2.gz QMBBCOGYZSGPMH-KOLCDFICSA-N 1 2 279.365 1.261 20 30 CDEDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)[C@H]1CO ZINC000248957708 131120086 /nfs/dbraw/zinc/12/00/86/131120086.db2.gz QMBBCOGYZSGPMH-KOLCDFICSA-N 1 2 279.365 1.261 20 30 CDEDLO CC[N@H+](Cc1nnnn1C)[C@H](C)c1ccc(C#N)cc1 ZINC000356021707 392740624 /nfs/dbraw/zinc/74/06/24/392740624.db2.gz FULZCSVZKSVTMG-LLVKDONJSA-N 1 2 270.340 1.665 20 30 CDEDLO CC[N@@H+](Cc1nnnn1C)[C@H](C)c1ccc(C#N)cc1 ZINC000356021707 392740627 /nfs/dbraw/zinc/74/06/27/392740627.db2.gz FULZCSVZKSVTMG-LLVKDONJSA-N 1 2 270.340 1.665 20 30 CDEDLO C[C@@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000412066332 392819162 /nfs/dbraw/zinc/81/91/62/392819162.db2.gz DGAFMUYDIAKTAK-ZYHUDNBSSA-N 1 2 293.392 1.651 20 30 CDEDLO C[C@@H]1[C@@H](CO)CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000412066332 392819170 /nfs/dbraw/zinc/81/91/70/392819170.db2.gz DGAFMUYDIAKTAK-ZYHUDNBSSA-N 1 2 293.392 1.651 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1ccc(C#N)nc1)C1CC1 ZINC000529355667 393039871 /nfs/dbraw/zinc/03/98/71/393039871.db2.gz DWXPBZBIEUMZNQ-OAHLLOKOSA-N 1 2 295.346 1.497 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000191902850 140138790 /nfs/dbraw/zinc/13/87/90/140138790.db2.gz KNKLHMPBSKVOEW-LBPRGKRZSA-N 1 2 282.340 1.316 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000191902850 140138792 /nfs/dbraw/zinc/13/87/92/140138792.db2.gz KNKLHMPBSKVOEW-LBPRGKRZSA-N 1 2 282.340 1.316 20 30 CDEDLO N#Cc1cccc(CN2CC[C@H]([NH+]3CCOCC3)C2)c1F ZINC000223547510 140172710 /nfs/dbraw/zinc/17/27/10/140172710.db2.gz ICSISPGMPIUWOE-HNNXBMFYSA-N 1 2 289.354 1.604 20 30 CDEDLO CC(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000159035787 397893106 /nfs/dbraw/zinc/89/31/06/397893106.db2.gz GPLLFOBQSDJUBE-UHFFFAOYSA-N 1 2 275.327 1.798 20 30 CDEDLO COc1ccc(C[N@@H+]2CCC[C@](F)(CO)C2)cc1C#N ZINC000286735069 397970320 /nfs/dbraw/zinc/97/03/20/397970320.db2.gz DEUXEGVUBKYJID-OAHLLOKOSA-N 1 2 278.327 1.863 20 30 CDEDLO COc1ccc(C[N@H+]2CCC[C@](F)(CO)C2)cc1C#N ZINC000286735069 397970323 /nfs/dbraw/zinc/97/03/23/397970323.db2.gz DEUXEGVUBKYJID-OAHLLOKOSA-N 1 2 278.327 1.863 20 30 CDEDLO Cn1cc(N2CC[NH+](Cc3cc(C#N)cs3)CC2)cn1 ZINC000126124826 147507637 /nfs/dbraw/zinc/50/76/37/147507637.db2.gz YZJWFKNYBVGPMC-UHFFFAOYSA-N 1 2 287.392 1.675 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)s1 ZINC000180565379 148155823 /nfs/dbraw/zinc/15/58/23/148155823.db2.gz GYESAHMAXVBUTF-KBPBESRZSA-N 1 2 278.377 2.000 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)s1 ZINC000180565379 148155825 /nfs/dbraw/zinc/15/58/25/148155825.db2.gz GYESAHMAXVBUTF-KBPBESRZSA-N 1 2 278.377 2.000 20 30 CDEDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000336037356 151216157 /nfs/dbraw/zinc/21/61/57/151216157.db2.gz NJBFNGPQWOKJCN-GFCCVEGCSA-N 1 2 276.315 1.201 20 30 CDEDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000336037356 151216159 /nfs/dbraw/zinc/21/61/59/151216159.db2.gz NJBFNGPQWOKJCN-GFCCVEGCSA-N 1 2 276.315 1.201 20 30 CDEDLO Cc1cc(NCCCc2[nH]nc(N)c2C#N)nc(C2CC2)[nH+]1 ZINC000346656228 153260261 /nfs/dbraw/zinc/26/02/61/153260261.db2.gz PHMSRNUHRYPHHG-UHFFFAOYSA-N 1 2 297.366 1.136 20 30 CDEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C[C@@H](C)O ZINC000352186488 155008292 /nfs/dbraw/zinc/00/82/92/155008292.db2.gz MIQCSDRDIFZMKZ-GFCCVEGCSA-N 1 2 296.392 1.035 20 30 CDEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C[C@@H](C)O ZINC000352186488 155008295 /nfs/dbraw/zinc/00/82/95/155008295.db2.gz MIQCSDRDIFZMKZ-GFCCVEGCSA-N 1 2 296.392 1.035 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCSCC1 ZINC000020257259 171111500 /nfs/dbraw/zinc/11/15/00/171111500.db2.gz QURKBXPOGHGFKB-NSHDSACASA-N 1 2 275.377 1.934 20 30 CDEDLO C=C(C)CN(CC)C(=O)CN(C)Cc1c[nH+]c[nH]1 ZINC000661083196 413769238 /nfs/dbraw/zinc/76/92/38/413769238.db2.gz ANSCVOLPLADMAP-UHFFFAOYSA-N 1 2 250.346 1.266 20 30 CDEDLO C=C(C)CN(CC)C(=O)CN(C)Cc1c[nH]c[nH+]1 ZINC000661083196 413769245 /nfs/dbraw/zinc/76/92/45/413769245.db2.gz ANSCVOLPLADMAP-UHFFFAOYSA-N 1 2 250.346 1.266 20 30 CDEDLO C=CC[N@H+](Cc1ncnn1C(C)C)[C@@H](C)COC ZINC000661240886 413911067 /nfs/dbraw/zinc/91/10/67/413911067.db2.gz SOUOGHLXQKMKGT-LBPRGKRZSA-N 1 2 252.362 1.882 20 30 CDEDLO C=CC[N@@H+](Cc1ncnn1C(C)C)[C@@H](C)COC ZINC000661240886 413911072 /nfs/dbraw/zinc/91/10/72/413911072.db2.gz SOUOGHLXQKMKGT-LBPRGKRZSA-N 1 2 252.362 1.882 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H]2c3ccccc3C[C@H]2O)nn1 ZINC000657390259 414273839 /nfs/dbraw/zinc/27/38/39/414273839.db2.gz VWNVUVDXBOKYQR-HZPDHXFCSA-N 1 2 284.363 1.602 20 30 CDEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)c2cccs2)CC1 ZINC000040366821 174248642 /nfs/dbraw/zinc/24/86/42/174248642.db2.gz VYRBTKNRYUXTMD-UHFFFAOYSA-N 1 2 285.394 1.014 20 30 CDEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000040527997 174315147 /nfs/dbraw/zinc/31/51/47/174315147.db2.gz RIBYUGOGMSHENT-UHFFFAOYSA-N 1 2 299.783 1.148 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ncccc1C ZINC001050863727 782021253 /nfs/dbraw/zinc/02/12/53/782021253.db2.gz SBFBSDHKBZVBFQ-CQSZACIVSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ncccc1C ZINC001050863727 782021250 /nfs/dbraw/zinc/02/12/50/782021250.db2.gz SBFBSDHKBZVBFQ-CQSZACIVSA-N 1 2 289.379 1.397 20 30 CDEDLO COc1cccc(C[NH+]2CCN(CCC#N)CC2)c1OC ZINC000078527610 177350597 /nfs/dbraw/zinc/35/05/97/177350597.db2.gz TWBRDGRHLSISEA-UHFFFAOYSA-N 1 2 289.379 1.735 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC2CC(F)(F)C2)C1 ZINC000330243829 228078322 /nfs/dbraw/zinc/07/83/22/228078322.db2.gz JZAVPJBJDQQKNK-SECBINFHSA-N 1 2 284.310 1.921 20 30 CDEDLO O=C(C[N@@H+]1CCN2C(=O)NC[C@H]2C1)NC1CCCCC1 ZINC000330279370 228090257 /nfs/dbraw/zinc/09/02/57/228090257.db2.gz QXXVGEKYWKINSY-LBPRGKRZSA-N 1 2 280.372 1.189 20 30 CDEDLO O=C(C[N@H+]1CCN2C(=O)NC[C@H]2C1)NC1CCCCC1 ZINC000330279370 228090259 /nfs/dbraw/zinc/09/02/59/228090259.db2.gz QXXVGEKYWKINSY-LBPRGKRZSA-N 1 2 280.372 1.189 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NCc1ccccc1OC ZINC000299292134 260180390 /nfs/dbraw/zinc/18/03/90/260180390.db2.gz NZGMIXFBYFCMFQ-CQSZACIVSA-N 1 2 284.359 1.268 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCC(=O)NCC(C)C)cc1 ZINC000047538537 260196519 /nfs/dbraw/zinc/19/65/19/260196519.db2.gz QHLUCNPYXZYWAW-UHFFFAOYSA-N 1 2 279.340 1.104 20 30 CDEDLO N#CCC[N@@H+](Cc1cccc(C(N)=O)c1)CC1CC1 ZINC000081044693 260329441 /nfs/dbraw/zinc/32/94/41/260329441.db2.gz XMMPOYCHFKHSID-UHFFFAOYSA-N 1 2 257.337 1.911 20 30 CDEDLO N#CCC[N@H+](Cc1cccc(C(N)=O)c1)CC1CC1 ZINC000081044693 260329443 /nfs/dbraw/zinc/32/94/43/260329443.db2.gz XMMPOYCHFKHSID-UHFFFAOYSA-N 1 2 257.337 1.911 20 30 CDEDLO NC(CCO)=[NH+]OCc1ccc(Br)cc1 ZINC000136066440 260923364 /nfs/dbraw/zinc/92/33/64/260923364.db2.gz OTICWVADRUSDAO-UHFFFAOYSA-N 1 2 273.130 1.620 20 30 CDEDLO C#CC(C)(C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000490922496 261247686 /nfs/dbraw/zinc/24/76/86/261247686.db2.gz FBNLKIDLMRGKLO-UHFFFAOYSA-N 1 2 254.293 1.409 20 30 CDEDLO CC(C)(C)OC(=O)N1CCC[N@H+](CCC#N)CC1 ZINC000002548818 261270400 /nfs/dbraw/zinc/27/04/00/261270400.db2.gz DBRQAQNLFJSRLL-UHFFFAOYSA-N 1 2 253.346 1.843 20 30 CDEDLO CC(C)(C)OC(=O)N1CCC[N@@H+](CCC#N)CC1 ZINC000002548818 261270403 /nfs/dbraw/zinc/27/04/03/261270403.db2.gz DBRQAQNLFJSRLL-UHFFFAOYSA-N 1 2 253.346 1.843 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000367604201 261317625 /nfs/dbraw/zinc/31/76/25/261317625.db2.gz SLOGIEXEHZAIHF-GJZGRUSLSA-N 1 2 294.395 1.067 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000367604201 261317628 /nfs/dbraw/zinc/31/76/28/261317628.db2.gz SLOGIEXEHZAIHF-GJZGRUSLSA-N 1 2 294.395 1.067 20 30 CDEDLO C=CC[N@@H+](CCOC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000108871261 262064816 /nfs/dbraw/zinc/06/48/16/262064816.db2.gz SASDNIVDIMQQCU-LBPRGKRZSA-N 1 2 261.387 1.087 20 30 CDEDLO C=CC[N@H+](CCOC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000108871261 262064819 /nfs/dbraw/zinc/06/48/19/262064819.db2.gz SASDNIVDIMQQCU-LBPRGKRZSA-N 1 2 261.387 1.087 20 30 CDEDLO COCCCO[NH+]=C(N)COc1cc(F)cc(F)c1 ZINC000186839647 262112360 /nfs/dbraw/zinc/11/23/60/262112360.db2.gz CIIKVXPIQRWVGY-UHFFFAOYSA-N 1 2 274.267 1.669 20 30 CDEDLO C[C@H]1CCC[C@](C#N)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000189039823 262166088 /nfs/dbraw/zinc/16/60/88/262166088.db2.gz XFTMFPSKNJAOFC-FZMZJTMJSA-N 1 2 260.341 1.931 20 30 CDEDLO C[C@H]1CCC[C@](C#N)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000189039823 262166091 /nfs/dbraw/zinc/16/60/91/262166091.db2.gz XFTMFPSKNJAOFC-FZMZJTMJSA-N 1 2 260.341 1.931 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000354889299 262321751 /nfs/dbraw/zinc/32/17/51/262321751.db2.gz RFGOHYAGSWGXJE-MNOVXSKESA-N 1 2 275.274 1.819 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000354889299 262321752 /nfs/dbraw/zinc/32/17/52/262321752.db2.gz RFGOHYAGSWGXJE-MNOVXSKESA-N 1 2 275.274 1.819 20 30 CDEDLO C=CCCCCCCNC(=O)[C@H]1COCC[N@H+]1CC ZINC000367795176 262370210 /nfs/dbraw/zinc/37/02/10/262370210.db2.gz VDTZPJCIMXUPRQ-CQSZACIVSA-N 1 2 268.401 1.960 20 30 CDEDLO C=CCCCCCCNC(=O)[C@H]1COCC[N@@H+]1CC ZINC000367795176 262370212 /nfs/dbraw/zinc/37/02/12/262370212.db2.gz VDTZPJCIMXUPRQ-CQSZACIVSA-N 1 2 268.401 1.960 20 30 CDEDLO C[C@H]1C[N@H+](CCOc2ccccc2C#N)CC[S@@](=O)C1 ZINC000277573236 263042114 /nfs/dbraw/zinc/04/21/14/263042114.db2.gz VFADCKKWAMQWRZ-RNODOKPDSA-N 1 2 292.404 1.637 20 30 CDEDLO C[C@H]1C[N@@H+](CCOc2ccccc2C#N)CC[S@@](=O)C1 ZINC000277573236 263042115 /nfs/dbraw/zinc/04/21/15/263042115.db2.gz VFADCKKWAMQWRZ-RNODOKPDSA-N 1 2 292.404 1.637 20 30 CDEDLO N#CCCn1cc(C[NH+]2CCOCC2)c(-c2ccncc2)n1 ZINC000279345774 263054775 /nfs/dbraw/zinc/05/47/75/263054775.db2.gz FMMBWESCINLSNM-UHFFFAOYSA-N 1 2 297.362 1.691 20 30 CDEDLO Oc1ccc(/C=[NH+]/C[C@H]2CCSC2)c(O)c1O ZINC000280661789 263063655 /nfs/dbraw/zinc/06/36/55/263063655.db2.gz ONSSUGFYENQICR-VVESDKHQSA-N 1 2 253.323 1.975 20 30 CDEDLO COC(=O)c1cc(CO[NH+]=C(N)[C@H]2CCCO2)c(C)s1 ZINC000284472125 263087086 /nfs/dbraw/zinc/08/70/86/263087086.db2.gz RIEPYVQZCBNZRR-SNVBAGLBSA-N 1 2 298.364 1.811 20 30 CDEDLO COc1cc[nH+]cc1CNS(=O)(=O)CCCCC#N ZINC000292860141 263135771 /nfs/dbraw/zinc/13/57/71/263135771.db2.gz BCTFFVRDQRAESV-UHFFFAOYSA-N 1 2 283.353 1.203 20 30 CDEDLO CC[NH+](CC)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000298686145 263224093 /nfs/dbraw/zinc/22/40/93/263224093.db2.gz AVDIKEWEFVOSOM-GFCCVEGCSA-N 1 2 298.346 1.853 20 30 CDEDLO N#Cc1ccc(CCC(=O)NCCn2cc[nH+]c2)cc1 ZINC000041816511 269961568 /nfs/dbraw/zinc/96/15/68/269961568.db2.gz FAZODNVKOBUQCY-UHFFFAOYSA-N 1 2 268.320 1.504 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCCC(=O)N1 ZINC000328697066 263845383 /nfs/dbraw/zinc/84/53/83/263845383.db2.gz HBCWKHDMTRZUAI-WDEREUQCSA-N 1 2 269.345 1.173 20 30 CDEDLO Cc1scc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)c1C ZINC000330827540 264049332 /nfs/dbraw/zinc/04/93/32/264049332.db2.gz JBEBMFKQUUQGQY-GFCCVEGCSA-N 1 2 298.408 1.363 20 30 CDEDLO COCc1noc([C@@H](C)[NH+]2CCC(C)(C#N)CC2)n1 ZINC000330852914 264068595 /nfs/dbraw/zinc/06/85/95/264068595.db2.gz REXBKLVDQLPJIK-SNVBAGLBSA-N 1 2 264.329 1.903 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000330971848 264092258 /nfs/dbraw/zinc/09/22/58/264092258.db2.gz BNRBMBAXJFIISB-JTQLQIEISA-N 1 2 279.344 1.471 20 30 CDEDLO CC1(C)C[N@H+](CCNC(=O)C2=CCOCC2)CCO1 ZINC000331042024 264107898 /nfs/dbraw/zinc/10/78/98/264107898.db2.gz CVIHIMUTTNLXEC-UHFFFAOYSA-N 1 2 268.357 1.400 20 30 CDEDLO CC1(C)C[N@@H+](CCNC(=O)C2=CCOCC2)CCO1 ZINC000331042024 264107899 /nfs/dbraw/zinc/10/78/99/264107899.db2.gz CVIHIMUTTNLXEC-UHFFFAOYSA-N 1 2 268.357 1.400 20 30 CDEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCCC#N ZINC000331187848 264156629 /nfs/dbraw/zinc/15/66/29/264156629.db2.gz ZIERCZCGAUZMBO-UHFFFAOYSA-N 1 2 289.339 1.466 20 30 CDEDLO C=C(C)CS(=O)(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000331244997 264178842 /nfs/dbraw/zinc/17/88/42/264178842.db2.gz OZDQQDDTPCONJG-LBPRGKRZSA-N 1 2 283.397 1.564 20 30 CDEDLO C[C@](C#N)(NC(=O)C[NH+]1CC(C)(C)OC(C)(C)C1)C1CC1 ZINC000190533702 264391453 /nfs/dbraw/zinc/39/14/53/264391453.db2.gz LQDHHEDUJVRRGU-MRXNPFEDSA-N 1 2 293.411 1.684 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H](c2nncn2C)C(C)C)nn1 ZINC000653671553 424408618 /nfs/dbraw/zinc/40/86/18/424408618.db2.gz JISPWYGRBSFXID-CYBMUJFWSA-N 1 2 289.387 1.470 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCC(F)(F)F ZINC000356478082 266122386 /nfs/dbraw/zinc/12/23/86/266122386.db2.gz QAXCUKMSFLLQQZ-IUCAKERBSA-N 1 2 265.279 1.535 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCC(F)(F)F ZINC000356478082 266122391 /nfs/dbraw/zinc/12/23/91/266122391.db2.gz QAXCUKMSFLLQQZ-IUCAKERBSA-N 1 2 265.279 1.535 20 30 CDEDLO C=C(C)C[N@@H+](CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C ZINC000357809096 266369146 /nfs/dbraw/zinc/36/91/46/266369146.db2.gz QQTZQNPHZRLEFV-GFCCVEGCSA-N 1 2 284.400 1.731 20 30 CDEDLO C=C(C)C[N@H+](CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C ZINC000357809096 266369148 /nfs/dbraw/zinc/36/91/48/266369148.db2.gz QQTZQNPHZRLEFV-GFCCVEGCSA-N 1 2 284.400 1.731 20 30 CDEDLO CNC(=O)C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000369803766 267267196 /nfs/dbraw/zinc/26/71/96/267267196.db2.gz OOODRISUXKQDET-KGLIPLIRSA-N 1 2 257.337 1.504 20 30 CDEDLO CNC(=O)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000369803766 267267200 /nfs/dbraw/zinc/26/72/00/267267200.db2.gz OOODRISUXKQDET-KGLIPLIRSA-N 1 2 257.337 1.504 20 30 CDEDLO N#Cc1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1O ZINC000525952600 268204464 /nfs/dbraw/zinc/20/44/64/268204464.db2.gz DKBIZUKBJUTZCX-LBPRGKRZSA-N 1 2 282.303 1.205 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1[nH+]ccn1C ZINC000280610605 276875994 /nfs/dbraw/zinc/87/59/94/276875994.db2.gz AVVFBOUOGKBMSE-WCQYABFASA-N 1 2 278.356 1.201 20 30 CDEDLO C=C[C@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000345230897 276922021 /nfs/dbraw/zinc/92/20/21/276922021.db2.gz DTOXBFLBNUAYLH-YNEHKIRRSA-N 1 2 267.373 1.066 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@@H](C)O1 ZINC000189388907 277267771 /nfs/dbraw/zinc/26/77/71/277267771.db2.gz XPPAFQVTOSJTAI-BXUZGUMPSA-N 1 2 278.327 1.933 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H](C)O1 ZINC000189388907 277267772 /nfs/dbraw/zinc/26/77/72/277267772.db2.gz XPPAFQVTOSJTAI-BXUZGUMPSA-N 1 2 278.327 1.933 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000295355634 277694102 /nfs/dbraw/zinc/69/41/02/277694102.db2.gz CCUAWSFXHLMQDC-RYUDHWBXSA-N 1 2 275.352 1.368 20 30 CDEDLO CC(C)C[C@H]1COCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000113941914 279220593 /nfs/dbraw/zinc/22/05/93/279220593.db2.gz VIENMRJYXNWFHM-HOCLYGCPSA-N 1 2 293.411 1.542 20 30 CDEDLO CC(C)C[C@H]1COCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000113941914 279220594 /nfs/dbraw/zinc/22/05/94/279220594.db2.gz VIENMRJYXNWFHM-HOCLYGCPSA-N 1 2 293.411 1.542 20 30 CDEDLO N#Cc1cc(C#N)c(SCCn2cc[nH+]c2)nc1N ZINC000159725448 292767010 /nfs/dbraw/zinc/76/70/10/292767010.db2.gz JIUJLPPWSGKPET-UHFFFAOYSA-N 1 2 270.321 1.396 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)c1ncc(C#N)cc1C ZINC000562051579 293112220 /nfs/dbraw/zinc/11/22/20/293112220.db2.gz AJEDGPVDHLPHOZ-UHFFFAOYSA-N 1 2 282.303 1.595 20 30 CDEDLO C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C(F)(F)F ZINC000570849943 327626012 /nfs/dbraw/zinc/62/60/12/327626012.db2.gz SYSOQUOSYZZRCD-IONNQARKSA-N 1 2 251.252 1.145 20 30 CDEDLO C#CCCCCNc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000119519184 327906203 /nfs/dbraw/zinc/90/62/03/327906203.db2.gz JXYZZWOZNYXBDO-UHFFFAOYSA-N 1 2 293.334 1.821 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)NCCCCn1cc[nH+]c1 ZINC000575978449 317049422 /nfs/dbraw/zinc/04/94/22/317049422.db2.gz ZBLZSALJQLEVGW-UHFFFAOYSA-N 1 2 272.308 1.866 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000412358477 328109715 /nfs/dbraw/zinc/10/97/15/328109715.db2.gz FPABJVOWGCFWHC-XJKSGUPXSA-N 1 2 296.411 1.590 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000412358477 328109717 /nfs/dbraw/zinc/10/97/17/328109717.db2.gz FPABJVOWGCFWHC-XJKSGUPXSA-N 1 2 296.411 1.590 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)COc1ccc(F)cc1 ZINC000268271724 328183696 /nfs/dbraw/zinc/18/36/96/328183696.db2.gz CJOMKTIEPUCAEU-YPMHNXCESA-N 1 2 266.316 1.799 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)COc1ccc(F)cc1 ZINC000268271724 328183698 /nfs/dbraw/zinc/18/36/98/328183698.db2.gz CJOMKTIEPUCAEU-YPMHNXCESA-N 1 2 266.316 1.799 20 30 CDEDLO Cn1nccc1CC[N@H+](CCC#N)Cc1ccccn1 ZINC000276355308 328217851 /nfs/dbraw/zinc/21/78/51/328217851.db2.gz XHUPRGORIZMCIY-UHFFFAOYSA-N 1 2 269.352 1.773 20 30 CDEDLO Cn1nccc1CC[N@@H+](CCC#N)Cc1ccccn1 ZINC000276355308 328217852 /nfs/dbraw/zinc/21/78/52/328217852.db2.gz XHUPRGORIZMCIY-UHFFFAOYSA-N 1 2 269.352 1.773 20 30 CDEDLO Cc1ccc([C@H]([NH2+]CCC#N)[C@H](C)S(C)(=O)=O)cc1 ZINC000280948239 328237309 /nfs/dbraw/zinc/23/73/09/328237309.db2.gz XBMFEVXMDWSVIT-GXTWGEPZSA-N 1 2 280.393 1.973 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C/[NH+]=C/c1c(CO)cnc(C)c1O ZINC000281479511 328239722 /nfs/dbraw/zinc/23/97/22/328239722.db2.gz DBYHUEWNSJLHJU-WYVFLDKBSA-N 1 2 290.363 1.988 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)cc1F ZINC000578827148 324030448 /nfs/dbraw/zinc/03/04/48/324030448.db2.gz HESWTDUNDFEMLE-UHFFFAOYSA-N 1 2 266.257 1.221 20 30 CDEDLO Cc1nsc(NCC[N@H+]2CCOC[C@H]2C)c1C#N ZINC000579266353 324145677 /nfs/dbraw/zinc/14/56/77/324145677.db2.gz ATJZHCGVSIAKPM-SECBINFHSA-N 1 2 266.370 1.456 20 30 CDEDLO Cc1nsc(NCC[N@@H+]2CCOC[C@H]2C)c1C#N ZINC000579266353 324145681 /nfs/dbraw/zinc/14/56/81/324145681.db2.gz ATJZHCGVSIAKPM-SECBINFHSA-N 1 2 266.370 1.456 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH2+]CC(=O)N1CCc2ccccc2C1 ZINC000558506835 327099764 /nfs/dbraw/zinc/09/97/64/327099764.db2.gz PFJNAVKSYHQWMC-AWEZNQCLSA-N 1 2 296.374 1.604 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1c[nH]c2ccccc12 ZINC000566044756 327119894 /nfs/dbraw/zinc/11/98/94/327119894.db2.gz XKFKAJMLCIQHGW-MRXNPFEDSA-N 1 2 284.363 1.670 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000078320890 327134834 /nfs/dbraw/zinc/13/48/34/327134834.db2.gz KVDIRWYLXYFZBV-LBPRGKRZSA-N 1 2 279.296 1.180 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000078320890 327134835 /nfs/dbraw/zinc/13/48/35/327134835.db2.gz KVDIRWYLXYFZBV-LBPRGKRZSA-N 1 2 279.296 1.180 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCCC3(C2)OCCO3)cn1 ZINC001140545776 1159111132 /nfs/dbraw/zinc/11/11/32/1159111132.db2.gz KINBQSNQGCHAEV-UHFFFAOYSA-N 1 2 259.309 1.292 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCCC3(C2)OCCO3)cn1 ZINC001140545776 1159111137 /nfs/dbraw/zinc/11/11/37/1159111137.db2.gz KINBQSNQGCHAEV-UHFFFAOYSA-N 1 2 259.309 1.292 20 30 CDEDLO CN1CC[C@H](O[NH+]=C(N)Cc2ccc(Cl)cc2)C1=O ZINC000116267956 327306337 /nfs/dbraw/zinc/30/63/37/327306337.db2.gz UGZFUONLQWURAF-NSHDSACASA-N 1 2 281.743 1.402 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc3[nH]ccc3c2)CC1 ZINC000160057680 327590278 /nfs/dbraw/zinc/59/02/78/327590278.db2.gz BMBDXYVJAWGXIL-UHFFFAOYSA-N 1 2 297.358 1.324 20 30 CDEDLO C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](CC)C[C@H]1C ZINC000491164671 332158928 /nfs/dbraw/zinc/15/89/28/332158928.db2.gz DIPMZHPGBWSAOO-HUUCEWRRSA-N 1 2 251.418 1.261 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000188440224 329368802 /nfs/dbraw/zinc/36/88/02/329368802.db2.gz ZTBZSIPGKKDNAJ-OAHLLOKOSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000188440224 329368804 /nfs/dbraw/zinc/36/88/04/329368804.db2.gz ZTBZSIPGKKDNAJ-OAHLLOKOSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CCN(CCOC)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000189592681 329383876 /nfs/dbraw/zinc/38/38/76/329383876.db2.gz QNAOFSBISVADRG-UHFFFAOYSA-N 1 2 288.351 1.678 20 30 CDEDLO CCN(CCC#N)S(=O)(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420704910 329782029 /nfs/dbraw/zinc/78/20/29/329782029.db2.gz XKXNINAHHFLDFA-UHFFFAOYSA-N 1 2 296.396 1.268 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000572457124 330109822 /nfs/dbraw/zinc/10/98/22/330109822.db2.gz NYFOSGPPPKYKMW-ZDUSSCGKSA-N 1 2 276.296 1.168 20 30 CDEDLO CCN1CCN(C(=O)C2(C#N)CCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000433102403 330617429 /nfs/dbraw/zinc/61/74/29/330617429.db2.gz GRKVWWCATDVTBA-LBPRGKRZSA-N 1 2 287.367 1.309 20 30 CDEDLO N#C[C@@H]1COCCN1Cc1c[nH+]cn1Cc1ccccc1 ZINC000445809879 330837853 /nfs/dbraw/zinc/83/78/53/330837853.db2.gz IYXSLONCRMQRNR-OAHLLOKOSA-N 1 2 282.347 1.656 20 30 CDEDLO C=C(CC)CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000454632800 331150211 /nfs/dbraw/zinc/15/02/11/331150211.db2.gz QQEXWBYZCLRANA-UHFFFAOYSA-N 1 2 269.389 1.363 20 30 CDEDLO C=C(CC)CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000454632800 331150212 /nfs/dbraw/zinc/15/02/12/331150212.db2.gz QQEXWBYZCLRANA-UHFFFAOYSA-N 1 2 269.389 1.363 20 30 CDEDLO C=CCCOCCNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000454710851 331152016 /nfs/dbraw/zinc/15/20/16/331152016.db2.gz FSVBZYNPFVRMPX-VXGBXAGGSA-N 1 2 278.356 1.781 20 30 CDEDLO CC(C)(CC#N)CNC(=O)NCCCn1cc[nH+]c1 ZINC000457394080 331221032 /nfs/dbraw/zinc/22/10/32/331221032.db2.gz WVFUCPVDGCIIAM-UHFFFAOYSA-N 1 2 263.345 1.512 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000459088813 331269992 /nfs/dbraw/zinc/26/99/92/331269992.db2.gz XVNNJWDFKZWHDT-CQSZACIVSA-N 1 2 277.368 1.825 20 30 CDEDLO C#CCn1ccc(CN(CC)C(=O)CCc2c[nH+]cn2C)n1 ZINC000490715167 332107778 /nfs/dbraw/zinc/10/77/78/332107778.db2.gz UMWFNNXALOPGQE-UHFFFAOYSA-N 1 2 299.378 1.231 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+](CC(=C)C)Cc1ccc(CO)o1 ZINC000491209488 332166184 /nfs/dbraw/zinc/16/61/84/332166184.db2.gz HYILYIORVOUDLJ-CYBMUJFWSA-N 1 2 290.363 1.288 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](CC(=C)C)Cc1ccc(CO)o1 ZINC000491209488 332166185 /nfs/dbraw/zinc/16/61/85/332166185.db2.gz HYILYIORVOUDLJ-CYBMUJFWSA-N 1 2 290.363 1.288 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1CC[C@H](c2ccccc2)C1=O ZINC000491255292 332175603 /nfs/dbraw/zinc/17/56/03/332175603.db2.gz WPHAUWHNURPWFK-DZGCQCFKSA-N 1 2 256.349 1.914 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1CC[C@H](c2ccccc2)C1=O ZINC000491255292 332175604 /nfs/dbraw/zinc/17/56/04/332175604.db2.gz WPHAUWHNURPWFK-DZGCQCFKSA-N 1 2 256.349 1.914 20 30 CDEDLO C#C[C@@H](CC)NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000491288820 332182427 /nfs/dbraw/zinc/18/24/27/332182427.db2.gz VFMNPHSUMQHOTM-LBPRGKRZSA-N 1 2 296.330 1.339 20 30 CDEDLO C#CCn1ccc(CN(CC)c2nc(C)[nH+]cc2C)n1 ZINC000491484575 332219719 /nfs/dbraw/zinc/21/97/19/332219719.db2.gz JLAUZAPHTSYXMU-UHFFFAOYSA-N 1 2 269.352 1.950 20 30 CDEDLO C#CC[N@@H+](CC)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000491617634 332244353 /nfs/dbraw/zinc/24/43/53/332244353.db2.gz KPJDQSXWMGLGIE-UHFFFAOYSA-N 1 2 286.422 1.454 20 30 CDEDLO C#CC[N@H+](CC)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000491617634 332244354 /nfs/dbraw/zinc/24/43/54/332244354.db2.gz KPJDQSXWMGLGIE-UHFFFAOYSA-N 1 2 286.422 1.454 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000491629806 332252549 /nfs/dbraw/zinc/25/25/49/332252549.db2.gz MEIGQSYMFUYKBS-GFCCVEGCSA-N 1 2 288.347 1.755 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000491629806 332252550 /nfs/dbraw/zinc/25/25/50/332252550.db2.gz MEIGQSYMFUYKBS-GFCCVEGCSA-N 1 2 288.347 1.755 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000491631402 332254067 /nfs/dbraw/zinc/25/40/67/332254067.db2.gz OADFHTMZSNFRLX-LBPRGKRZSA-N 1 2 296.392 1.518 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000491631402 332254069 /nfs/dbraw/zinc/25/40/69/332254069.db2.gz OADFHTMZSNFRLX-LBPRGKRZSA-N 1 2 296.392 1.518 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000491633133 332255030 /nfs/dbraw/zinc/25/50/30/332255030.db2.gz PMFOCMOJWVLIMR-UONOGXRCSA-N 1 2 295.766 1.414 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000491633133 332255031 /nfs/dbraw/zinc/25/50/31/332255031.db2.gz PMFOCMOJWVLIMR-UONOGXRCSA-N 1 2 295.766 1.414 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000491673891 332280061 /nfs/dbraw/zinc/28/00/61/332280061.db2.gz WIXQFCXPFMIINP-NSHDSACASA-N 1 2 270.336 1.806 20 30 CDEDLO C#C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC000491695991 332291456 /nfs/dbraw/zinc/29/14/56/332291456.db2.gz IJWHFRKENRXYRZ-AAEUAGOBSA-N 1 2 259.353 1.610 20 30 CDEDLO C#C[C@@H](CC)NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000491707674 332300323 /nfs/dbraw/zinc/30/03/23/332300323.db2.gz SHZWMZJLEWBYSW-STQMWFEESA-N 1 2 274.368 1.780 20 30 CDEDLO C#C[C@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)(C)C ZINC000491731384 332312773 /nfs/dbraw/zinc/31/27/73/332312773.db2.gz FXSQLFHDFOWYLU-ZDUSSCGKSA-N 1 2 295.427 1.444 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000491769815 332336784 /nfs/dbraw/zinc/33/67/84/332336784.db2.gz OGBPYIGOLFCZTC-BXUZGUMPSA-N 1 2 281.377 1.077 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000491769815 332336785 /nfs/dbraw/zinc/33/67/85/332336785.db2.gz OGBPYIGOLFCZTC-BXUZGUMPSA-N 1 2 281.377 1.077 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)/C=C/c1[nH+]ccn1CC ZINC000492385241 332395060 /nfs/dbraw/zinc/39/50/60/332395060.db2.gz RFIXGFVUBXXIBM-SYTKJHMZSA-N 1 2 263.341 1.217 20 30 CDEDLO C#CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000191115383 333215420 /nfs/dbraw/zinc/21/54/20/333215420.db2.gz YSJJJUPHAPKFNB-UHFFFAOYSA-N 1 2 284.275 1.486 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCCc1ccc(Cl)cc1 ZINC000192218695 333232407 /nfs/dbraw/zinc/23/24/07/333232407.db2.gz DKXUANYBHGROJQ-UHFFFAOYSA-N 1 2 264.756 1.564 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCCc1ccc(Cl)cc1 ZINC000192218695 333232408 /nfs/dbraw/zinc/23/24/08/333232408.db2.gz DKXUANYBHGROJQ-UHFFFAOYSA-N 1 2 264.756 1.564 20 30 CDEDLO CCCCCCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000226543487 333264525 /nfs/dbraw/zinc/26/45/25/333264525.db2.gz WTUNPQFAAOUFAJ-ZDUSSCGKSA-N 1 2 295.383 1.971 20 30 CDEDLO CCCCCCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000226543487 333264526 /nfs/dbraw/zinc/26/45/26/333264526.db2.gz WTUNPQFAAOUFAJ-ZDUSSCGKSA-N 1 2 295.383 1.971 20 30 CDEDLO C[C@@H]1CCCC[C@@H]1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000572529664 333384113 /nfs/dbraw/zinc/38/41/13/333384113.db2.gz PZEMKBMNFPOGRE-MBNYWOFBSA-N 1 2 251.374 1.773 20 30 CDEDLO C[C@@H](C#N)CNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000541950930 333802741 /nfs/dbraw/zinc/80/27/41/333802741.db2.gz ULKUXWRCCOHHPS-JTQLQIEISA-N 1 2 257.297 1.293 20 30 CDEDLO C=CCNC(=O)C[N@H+](CC(=O)OC(C)(C)C)[C@@H](C)CC ZINC000136339424 334152249 /nfs/dbraw/zinc/15/22/49/334152249.db2.gz ZXTRUGXBMMYBBZ-LBPRGKRZSA-N 1 2 284.400 1.731 20 30 CDEDLO C=CCNC(=O)C[N@@H+](CC(=O)OC(C)(C)C)[C@@H](C)CC ZINC000136339424 334152250 /nfs/dbraw/zinc/15/22/50/334152250.db2.gz ZXTRUGXBMMYBBZ-LBPRGKRZSA-N 1 2 284.400 1.731 20 30 CDEDLO CC(C)c1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cn1 ZINC000566309288 334642222 /nfs/dbraw/zinc/64/22/22/334642222.db2.gz NEANJMBDCGIMMX-OAHLLOKOSA-N 1 2 274.368 1.779 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1oc(C)c(C)c1C#N ZINC000566745625 334662903 /nfs/dbraw/zinc/66/29/03/334662903.db2.gz DWTGLOSQHAJREA-NSHDSACASA-N 1 2 274.324 1.989 20 30 CDEDLO N#CC1(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)CCC1 ZINC000577186765 335318735 /nfs/dbraw/zinc/31/87/35/335318735.db2.gz WFOUKYIHVZMTJC-ZNMIVQPWSA-N 1 2 278.396 1.932 20 30 CDEDLO N#CC1(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)CCC1 ZINC000577186765 335318737 /nfs/dbraw/zinc/31/87/37/335318737.db2.gz WFOUKYIHVZMTJC-ZNMIVQPWSA-N 1 2 278.396 1.932 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1cc(=O)n2cc(C)ccc2n1 ZINC000577188855 335319244 /nfs/dbraw/zinc/31/92/44/335319244.db2.gz LTQKXPRBRHEJJS-GFCCVEGCSA-N 1 2 270.336 1.785 20 30 CDEDLO C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000579184876 335718948 /nfs/dbraw/zinc/71/89/48/335718948.db2.gz JWRUOHVWPIKOBU-ABAIWWIYSA-N 1 2 293.342 1.553 20 30 CDEDLO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@@H](C)C#N ZINC000183822869 335907676 /nfs/dbraw/zinc/90/76/76/335907676.db2.gz DTYUWJGXJUUYSU-QMMMGPOBSA-N 1 2 290.289 1.919 20 30 CDEDLO C[C@@H](CO)N(C)N=C1CCN(c2cccc[nH+]2)CC1 ZINC000842542864 782105949 /nfs/dbraw/zinc/10/59/49/782105949.db2.gz FIGPFKGRYAUZBN-LBPRGKRZSA-N 1 2 262.357 1.350 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C1(F)CCOCC1 ZINC001482602528 1160541400 /nfs/dbraw/zinc/54/14/00/1160541400.db2.gz VKGNINGLTVBJMM-UHFFFAOYSA-N 1 2 292.782 1.648 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C1(F)CCOCC1 ZINC001482602528 1160541405 /nfs/dbraw/zinc/54/14/05/1160541405.db2.gz VKGNINGLTVBJMM-UHFFFAOYSA-N 1 2 292.782 1.648 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2c(CC)noc2CC)C1 ZINC001030455862 1161015204 /nfs/dbraw/zinc/01/52/04/1161015204.db2.gz KKGSSQAWUUWPHL-UHFFFAOYSA-N 1 2 291.395 1.718 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nn1)[C@H]1CCCO1 ZINC000775347496 782158440 /nfs/dbraw/zinc/15/84/40/782158440.db2.gz GZUSCXPZMHIBNF-HZPDHXFCSA-N 1 2 282.347 1.538 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(OC)o2)CC1 ZINC001113451200 1162178914 /nfs/dbraw/zinc/17/89/14/1162178914.db2.gz BZQGUGOXGZAACI-UHFFFAOYSA-N 1 2 294.351 1.249 20 30 CDEDLO N#CCCCCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000353114562 534596183 /nfs/dbraw/zinc/59/61/83/534596183.db2.gz PHAHERLCDCUWFX-UHFFFAOYSA-N 1 2 273.327 1.774 20 30 CDEDLO [O-]C(N[C@@H]1CCCOCC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330194430 534759906 /nfs/dbraw/zinc/75/99/06/534759906.db2.gz OSUXRIWHMPJDKT-VXGBXAGGSA-N 1 2 278.356 1.271 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1CCCOCC1 ZINC000330194430 534759911 /nfs/dbraw/zinc/75/99/11/534759911.db2.gz OSUXRIWHMPJDKT-VXGBXAGGSA-N 1 2 278.356 1.271 20 30 CDEDLO Cc1ccn2cc(CNc3ccnc(C#N)c3)[nH+]c2c1 ZINC000339969112 525615865 /nfs/dbraw/zinc/61/58/65/525615865.db2.gz MRQWSIJQJJALFH-UHFFFAOYSA-N 1 2 263.304 1.943 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NCc1ccccc1 ZINC000049001217 526236713 /nfs/dbraw/zinc/23/67/13/526236713.db2.gz HHEZWYNPFPAGGI-STQMWFEESA-N 1 2 259.353 1.783 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NCc1ccccc1 ZINC000049001217 526236719 /nfs/dbraw/zinc/23/67/19/526236719.db2.gz HHEZWYNPFPAGGI-STQMWFEESA-N 1 2 259.353 1.783 20 30 CDEDLO C=C(Br)C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000113505220 526426619 /nfs/dbraw/zinc/42/66/19/526426619.db2.gz PUCDYSPTJMFFMD-JTQLQIEISA-N 1 2 273.174 1.638 20 30 CDEDLO C=C(Br)C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000113505220 526426625 /nfs/dbraw/zinc/42/66/25/526426625.db2.gz PUCDYSPTJMFFMD-JTQLQIEISA-N 1 2 273.174 1.638 20 30 CDEDLO N#Cc1ccc(NCC(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000336946687 526660474 /nfs/dbraw/zinc/66/04/74/526660474.db2.gz OOKJHLJSLPNPHW-UHFFFAOYSA-N 1 2 269.308 1.052 20 30 CDEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)NC)CC2)cc1 ZINC000354118928 526868012 /nfs/dbraw/zinc/86/80/12/526868012.db2.gz GOVXWNWPBJZVDE-UHFFFAOYSA-N 1 2 289.379 1.708 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000355140522 527399590 /nfs/dbraw/zinc/39/95/90/527399590.db2.gz VVCBGWRDAXOOEO-BFHYXJOUSA-N 1 2 284.400 1.193 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347285524 527521979 /nfs/dbraw/zinc/52/19/79/527521979.db2.gz FJDJRCKHFQNJRL-AWEZNQCLSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CCN(CC=C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000106581230 527622532 /nfs/dbraw/zinc/62/25/32/527622532.db2.gz STOLAXQCXLKSAO-CQSZACIVSA-N 1 2 280.416 1.006 20 30 CDEDLO COc1cc(C[N@@H+]2CCC[C@@H]2C(N)=O)ccc1C#N ZINC000234976098 536753056 /nfs/dbraw/zinc/75/30/56/536753056.db2.gz WYJHEYZAGHNFOQ-GFCCVEGCSA-N 1 2 259.309 1.017 20 30 CDEDLO COc1cc(C[N@H+]2CCC[C@@H]2C(N)=O)ccc1C#N ZINC000234976098 536753061 /nfs/dbraw/zinc/75/30/61/536753061.db2.gz WYJHEYZAGHNFOQ-GFCCVEGCSA-N 1 2 259.309 1.017 20 30 CDEDLO COCCn1cc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cn1 ZINC000329439526 538569249 /nfs/dbraw/zinc/56/92/49/538569249.db2.gz KOJRCTMCXLIXID-LLVKDONJSA-N 1 2 289.339 1.577 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000737685331 574432589 /nfs/dbraw/zinc/43/25/89/574432589.db2.gz SNLQWYYBAZGSFN-SNVBAGLBSA-N 1 2 299.313 1.539 20 30 CDEDLO C#Cc1cccc(NC(=S)NCCn2cc[nH+]c2)c1 ZINC000726445246 574499274 /nfs/dbraw/zinc/49/92/74/574499274.db2.gz RMDOSHZZISUTOY-UHFFFAOYSA-N 1 2 270.361 1.851 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1cnccn1 ZINC001029245106 782180929 /nfs/dbraw/zinc/18/09/29/782180929.db2.gz PMDKBPRJHXMITO-SYQHCUMBSA-N 1 2 299.378 1.372 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1cnccn1 ZINC001029245106 782180961 /nfs/dbraw/zinc/18/09/61/782180961.db2.gz PMDKBPRJHXMITO-SYQHCUMBSA-N 1 2 299.378 1.372 20 30 CDEDLO C#CCNC(=O)C[N@@H+](C)[C@H](C)c1sc(C)nc1C ZINC000730264203 574906374 /nfs/dbraw/zinc/90/63/74/574906374.db2.gz FJSRSZHKGKIQHQ-SNVBAGLBSA-N 1 2 265.382 1.502 20 30 CDEDLO C#CCNC(=O)C[N@H+](C)[C@H](C)c1sc(C)nc1C ZINC000730264203 574906375 /nfs/dbraw/zinc/90/63/75/574906375.db2.gz FJSRSZHKGKIQHQ-SNVBAGLBSA-N 1 2 265.382 1.502 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732875331 575098467 /nfs/dbraw/zinc/09/84/67/575098467.db2.gz SYZZZMMNFMKOEQ-MRVPVSSYSA-N 1 2 270.682 1.834 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732875331 575098468 /nfs/dbraw/zinc/09/84/68/575098468.db2.gz SYZZZMMNFMKOEQ-MRVPVSSYSA-N 1 2 270.682 1.834 20 30 CDEDLO COC[C@@H](C)C(C)N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761844668 576597334 /nfs/dbraw/zinc/59/73/34/576597334.db2.gz BPOCRIQGAYMKRA-SNVBAGLBSA-N 1 2 274.328 1.733 20 30 CDEDLO C=C(Cl)CNC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000736246162 575603099 /nfs/dbraw/zinc/60/30/99/575603099.db2.gz OFKYRLJWSSAUTN-AVGNSLFASA-N 1 2 288.819 1.989 20 30 CDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCCn1cc[nH+]c1 ZINC000771875094 575630549 /nfs/dbraw/zinc/63/05/49/575630549.db2.gz NXGJLQIHZPOPGE-GFCCVEGCSA-N 1 2 285.303 1.765 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)N[C@](C)(C(C)(C)C)C1=O)C1CC1 ZINC000773322599 575801350 /nfs/dbraw/zinc/80/13/50/575801350.db2.gz RAXMZBVOIGLOGQ-HNNXBMFYSA-N 1 2 279.384 1.951 20 30 CDEDLO C=CC[N@H+](CN1C(=O)N[C@](C)(C(C)(C)C)C1=O)C1CC1 ZINC000773322599 575801351 /nfs/dbraw/zinc/80/13/51/575801351.db2.gz RAXMZBVOIGLOGQ-HNNXBMFYSA-N 1 2 279.384 1.951 20 30 CDEDLO C#CCCCCCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000765120003 575988764 /nfs/dbraw/zinc/98/87/64/575988764.db2.gz ARHSSKAVAFDPQJ-UHFFFAOYSA-N 1 2 278.396 1.551 20 30 CDEDLO N#Cc1cnc(NC(=O)c2ccc(-n3cc[nH+]c3)nc2)s1 ZINC000759631726 576413108 /nfs/dbraw/zinc/41/31/08/576413108.db2.gz MHLQNJYVUOWKAF-UHFFFAOYSA-N 1 2 296.315 1.848 20 30 CDEDLO NC(=NOCC1CC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000763181307 576718966 /nfs/dbraw/zinc/71/89/66/576718966.db2.gz ZCFCUWKDANYJKY-UHFFFAOYSA-N 1 2 289.379 1.566 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]Nc1nc2ccccc2n1C ZINC000747632279 576877777 /nfs/dbraw/zinc/87/77/77/576877777.db2.gz APSYZKYXQBEYJV-UHFFFAOYSA-N 1 2 297.322 1.400 20 30 CDEDLO COc1ncnc(N)c1C=[NH+][N-]c1[nH+]c2ccccc2n1C ZINC000747632279 576877778 /nfs/dbraw/zinc/87/77/78/576877778.db2.gz APSYZKYXQBEYJV-UHFFFAOYSA-N 1 2 297.322 1.400 20 30 CDEDLO C[N@H+](Cc1nnc2n1CCC2)Cc1ccc(OCC#N)cc1 ZINC000754667042 576909723 /nfs/dbraw/zinc/90/97/23/576909723.db2.gz SSZMWWIAHNFWDG-UHFFFAOYSA-N 1 2 297.362 1.759 20 30 CDEDLO C[N@@H+](Cc1nnc2n1CCC2)Cc1ccc(OCC#N)cc1 ZINC000754667042 576909724 /nfs/dbraw/zinc/90/97/24/576909724.db2.gz SSZMWWIAHNFWDG-UHFFFAOYSA-N 1 2 297.362 1.759 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cn(C)nc2C(F)F)CC1 ZINC000754843288 576918743 /nfs/dbraw/zinc/91/87/43/576918743.db2.gz QBUJHCWRANXBCE-UHFFFAOYSA-N 1 2 296.321 1.139 20 30 CDEDLO CCN(CC)c1ncc(C=[NH+]OCCOC)s1 ZINC000748788619 576924998 /nfs/dbraw/zinc/92/49/98/576924998.db2.gz IBZLYIWNKBBWIL-UHFFFAOYSA-N 1 2 257.359 1.986 20 30 CDEDLO C=CCN(C(=O)[C@@H](C)[NH+]1CCN(C)CC1)C(C)C ZINC000755246383 576937404 /nfs/dbraw/zinc/93/74/04/576937404.db2.gz YXADOAYJCKVGCD-CYBMUJFWSA-N 1 2 253.390 1.045 20 30 CDEDLO Cn1c[nH+]cc1CN=Nc1nncc2ccccc21 ZINC000755489888 576946827 /nfs/dbraw/zinc/94/68/27/576946827.db2.gz BIHXRCYNDPSCHB-UHFFFAOYSA-N 1 2 252.281 1.809 20 30 CDEDLO C=C(C)[C@@H](CC(=O)OCC[NH+]1CCOCC1)OCC ZINC000756472270 576991192 /nfs/dbraw/zinc/99/11/92/576991192.db2.gz VLIZXKDCVOYVNU-CYBMUJFWSA-N 1 2 271.357 1.233 20 30 CDEDLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cn1cccc(C#N)c1=O ZINC000758222132 577084957 /nfs/dbraw/zinc/08/49/57/577084957.db2.gz INJOWQVHVPVLLS-MNOVXSKESA-N 1 2 263.366 1.503 20 30 CDEDLO C[C@@H]1[C@H](C)SCC[N@H+]1Cn1cccc(C#N)c1=O ZINC000758222132 577084959 /nfs/dbraw/zinc/08/49/59/577084959.db2.gz INJOWQVHVPVLLS-MNOVXSKESA-N 1 2 263.366 1.503 20 30 CDEDLO Cc1ccn(C[NH+]2CCC(CC#N)CC2)c(=O)c1C#N ZINC000758246434 577090200 /nfs/dbraw/zinc/09/02/00/577090200.db2.gz FVCNIFGUKCCBTG-UHFFFAOYSA-N 1 2 270.336 1.612 20 30 CDEDLO C=C(Cl)CNc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000752636637 577116942 /nfs/dbraw/zinc/11/69/42/577116942.db2.gz YYIDDGWPZKYCPV-UHFFFAOYSA-N 1 2 287.714 1.770 20 30 CDEDLO C=C(Br)C[NH+]1CCC(O)(COC)CC1 ZINC000759326388 577168619 /nfs/dbraw/zinc/16/86/19/577168619.db2.gz VJYDXFFFOBBDGC-UHFFFAOYSA-N 1 2 264.163 1.368 20 30 CDEDLO CC[N@@H+](Cc1ccnc(-c2nn[nH]n2)c1)C[C@@H](C)C#N ZINC000825439479 607492432 /nfs/dbraw/zinc/49/24/32/607492432.db2.gz DFECGSUXBBBQCT-JTQLQIEISA-N 1 2 271.328 1.243 20 30 CDEDLO CC[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)C[C@@H](C)C#N ZINC000825439479 607492433 /nfs/dbraw/zinc/49/24/33/607492433.db2.gz DFECGSUXBBBQCT-JTQLQIEISA-N 1 2 271.328 1.243 20 30 CDEDLO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000819697538 606074016 /nfs/dbraw/zinc/07/40/16/606074016.db2.gz HUNDBXGTFDLNAN-LLVKDONJSA-N 1 2 298.350 1.149 20 30 CDEDLO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000819697538 606074020 /nfs/dbraw/zinc/07/40/20/606074020.db2.gz HUNDBXGTFDLNAN-LLVKDONJSA-N 1 2 298.350 1.149 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(C)nnc2C)C1 ZINC000950420119 612991629 /nfs/dbraw/zinc/99/16/29/612991629.db2.gz WERMZMNPSDJVNE-UHFFFAOYSA-N 1 2 286.379 1.263 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnn(C)c2CC)C1 ZINC000950725315 612992799 /nfs/dbraw/zinc/99/27/99/612992799.db2.gz UFSVUGJMYFMYGD-UHFFFAOYSA-N 1 2 288.395 1.152 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ncoc2C2CC2)C1 ZINC000957095922 612993352 /nfs/dbraw/zinc/99/33/52/612993352.db2.gz WCMBMILMFLZEJR-UHFFFAOYSA-N 1 2 287.363 1.722 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccsn2)C1 ZINC000950598581 613296951 /nfs/dbraw/zinc/29/69/51/613296951.db2.gz KCUFPCRUPASGLU-UHFFFAOYSA-N 1 2 265.382 1.866 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2conc2C2CC2)CC1 ZINC000950438703 613321780 /nfs/dbraw/zinc/32/17/80/613321780.db2.gz IEPFFULTEOLGCT-UHFFFAOYSA-N 1 2 275.352 1.886 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2c(C)cnn2C)C1 ZINC000970298024 613372171 /nfs/dbraw/zinc/37/21/71/613372171.db2.gz MREGFCYUNYBWCD-NSHDSACASA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cocn2)C1 ZINC000969391529 613372690 /nfs/dbraw/zinc/37/26/90/613372690.db2.gz KFRPCZCNHOXRIF-VIFPVBQESA-N 1 2 269.732 1.477 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CC2(F)F)CC1 ZINC000981113935 613373499 /nfs/dbraw/zinc/37/34/99/613373499.db2.gz UTQWJKSUOMFOAR-JTQLQIEISA-N 1 2 278.730 1.928 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CC2(F)F)CC1 ZINC000981113935 613373500 /nfs/dbraw/zinc/37/35/00/613373500.db2.gz UTQWJKSUOMFOAR-JTQLQIEISA-N 1 2 278.730 1.928 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC000965985473 613375753 /nfs/dbraw/zinc/37/57/53/613375753.db2.gz PKAZPLGWYNGICL-BXKDBHETSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC000965985473 613375754 /nfs/dbraw/zinc/37/57/54/613375754.db2.gz PKAZPLGWYNGICL-BXKDBHETSA-N 1 2 296.802 1.911 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cnnn2C)C1 ZINC000972083132 613434563 /nfs/dbraw/zinc/43/45/63/613434563.db2.gz VUJHHHOEZGFMJI-GFCCVEGCSA-N 1 2 291.399 1.060 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2cnnn2C)C1 ZINC000972083132 613434564 /nfs/dbraw/zinc/43/45/64/613434564.db2.gz VUJHHHOEZGFMJI-GFCCVEGCSA-N 1 2 291.399 1.060 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2conc2C)CC1 ZINC000981869515 613556307 /nfs/dbraw/zinc/55/63/07/613556307.db2.gz VMERELOQFKEHCD-UHFFFAOYSA-N 1 2 261.325 1.154 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2conc2C)CC1 ZINC000981869515 613556309 /nfs/dbraw/zinc/55/63/09/613556309.db2.gz VMERELOQFKEHCD-UHFFFAOYSA-N 1 2 261.325 1.154 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2c[nH]c3ccccc23)CC1 ZINC000949143410 613567040 /nfs/dbraw/zinc/56/70/40/613567040.db2.gz SKWIRVJJDMLJHM-UHFFFAOYSA-N 1 2 281.359 1.949 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC3CC3)C2)C1 ZINC000972218900 613569972 /nfs/dbraw/zinc/56/99/72/613569972.db2.gz QKXCITWLHBUJGM-INIZCTEOSA-N 1 2 276.380 1.113 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC3CC3)C2)C1 ZINC000972218900 613569974 /nfs/dbraw/zinc/56/99/74/613569974.db2.gz QKXCITWLHBUJGM-INIZCTEOSA-N 1 2 276.380 1.113 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)C3CC3)C2)C1 ZINC000972324235 613570027 /nfs/dbraw/zinc/57/00/27/613570027.db2.gz NMAMVBVVMAWSKX-YOEHRIQHSA-N 1 2 290.407 1.359 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)C3CC3)C2)C1 ZINC000972324235 613570028 /nfs/dbraw/zinc/57/00/28/613570028.db2.gz NMAMVBVVMAWSKX-YOEHRIQHSA-N 1 2 290.407 1.359 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cccn3nccc23)C1 ZINC000950731296 613658428 /nfs/dbraw/zinc/65/84/28/613658428.db2.gz OTSXFGCMFLSJSG-UHFFFAOYSA-N 1 2 284.363 1.667 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H](C)[C@H]2CCCO2)CC1 ZINC000957461711 613708308 /nfs/dbraw/zinc/70/83/08/613708308.db2.gz CKXBITXXEXKGOM-ZIAGYGMSSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@H](C)c2cccnc2)CC1 ZINC000951180627 613708710 /nfs/dbraw/zinc/70/87/10/613708710.db2.gz QLNCSDBZSZKYAB-AWEZNQCLSA-N 1 2 273.380 1.905 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2CCO[C@@H](CC)C2)CC1 ZINC000957106971 613709390 /nfs/dbraw/zinc/70/93/90/613709390.db2.gz IWTQKIIDZKTPRZ-GJZGRUSLSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C(C)C)nn2CC)CC1 ZINC000949081041 613714485 /nfs/dbraw/zinc/71/44/85/613714485.db2.gz IBVPFBKDAZNMIR-UHFFFAOYSA-N 1 2 290.411 1.970 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc(NC(C)=O)c2)CC1 ZINC000957633267 613717073 /nfs/dbraw/zinc/71/70/73/613717073.db2.gz GIHPLJBCMYXNBR-UHFFFAOYSA-N 1 2 287.363 1.589 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc3cnccc3c2)CC1 ZINC000949311512 613718292 /nfs/dbraw/zinc/71/82/92/613718292.db2.gz LZVWXHOVWHCAFM-UHFFFAOYSA-N 1 2 282.347 1.574 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnoc2-c2ccco2)CC1 ZINC000948924314 613718620 /nfs/dbraw/zinc/71/86/20/613718620.db2.gz RMFMEWAJJLLJKR-UHFFFAOYSA-N 1 2 287.319 1.878 20 30 CDEDLO CC(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC000957993071 614184422 /nfs/dbraw/zinc/18/44/22/614184422.db2.gz UCWJNCRUUKOMSU-FOLVSLTJSA-N 1 2 288.778 1.758 20 30 CDEDLO CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC000957993071 614184423 /nfs/dbraw/zinc/18/44/23/614184423.db2.gz UCWJNCRUUKOMSU-FOLVSLTJSA-N 1 2 288.778 1.758 20 30 CDEDLO C#CCNC(=O)C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000014321180 617502646 /nfs/dbraw/zinc/50/26/46/617502646.db2.gz STQOMIROAOJIHT-UHFFFAOYSA-N 1 2 284.359 1.331 20 30 CDEDLO N#C[C@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCSC1 ZINC000931298699 617695541 /nfs/dbraw/zinc/69/55/41/617695541.db2.gz ABFMKVDYMHWDCO-CYBMUJFWSA-N 1 2 272.333 1.692 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2cccnc2Cl)CCCN1O ZINC000895164132 619389824 /nfs/dbraw/zinc/38/98/24/619389824.db2.gz CRWCPYLPLKZFGC-SECBINFHSA-N 1 2 255.705 1.205 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCCN1O ZINC000895165155 619392509 /nfs/dbraw/zinc/39/25/09/619392509.db2.gz KFCZJECREGECQJ-JTQLQIEISA-N 1 2 299.714 1.718 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cccnc2C(F)F)CC1 ZINC000895883248 619883283 /nfs/dbraw/zinc/88/32/83/619883283.db2.gz AHZHGANPLLQKBD-UHFFFAOYSA-N 1 2 293.317 1.800 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000896222098 620027222 /nfs/dbraw/zinc/02/72/22/620027222.db2.gz LUTMECZQEHQJJB-AWEZNQCLSA-N 1 2 279.428 1.485 20 30 CDEDLO CCn1c[nH+]c2c1CCN(c1ccc(C#N)nc1)C2 ZINC000896658437 620186606 /nfs/dbraw/zinc/18/66/06/620186606.db2.gz CLRHHMGLHOMUSB-UHFFFAOYSA-N 1 2 253.309 1.732 20 30 CDEDLO C#CC1(O)CN(Cc2c[nH+]c(C)n2-c2ccccc2)C1 ZINC000898143414 621339171 /nfs/dbraw/zinc/33/91/71/621339171.db2.gz DLVGFZSYHJOTIC-UHFFFAOYSA-N 1 2 267.332 1.361 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)cc1 ZINC000898668252 621836037 /nfs/dbraw/zinc/83/60/37/621836037.db2.gz GCXDZIQWOJDLCB-ZIAGYGMSSA-N 1 2 286.375 1.507 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1 ZINC000898668252 621836039 /nfs/dbraw/zinc/83/60/39/621836039.db2.gz GCXDZIQWOJDLCB-ZIAGYGMSSA-N 1 2 286.375 1.507 20 30 CDEDLO CC(C)C[C@H](C#N)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000900508332 623168911 /nfs/dbraw/zinc/16/89/11/623168911.db2.gz AYRHEPGVBKNQIX-BXUZGUMPSA-N 1 2 289.383 1.844 20 30 CDEDLO CC(C)C[C@H](C#N)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000900508332 623168917 /nfs/dbraw/zinc/16/89/17/623168917.db2.gz AYRHEPGVBKNQIX-BXUZGUMPSA-N 1 2 289.383 1.844 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000900785808 623479942 /nfs/dbraw/zinc/47/99/42/623479942.db2.gz GFMBQAZREAIJMQ-ZDUSSCGKSA-N 1 2 267.332 1.931 20 30 CDEDLO Cn1nncc1C(=O)/C=C\c1ncc(C[NH+](C)C)s1 ZINC000901510459 624311458 /nfs/dbraw/zinc/31/14/58/624311458.db2.gz DMMJDPLYTQDVRH-PLNGDYQASA-N 1 2 277.353 1.229 20 30 CDEDLO C#CCO[C@@H](C)c1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904268336 626234864 /nfs/dbraw/zinc/23/48/64/626234864.db2.gz OHEWILCUHJFKBI-VIFPVBQESA-N 1 2 258.281 1.733 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC)c1ccccn1 ZINC000910342411 629017877 /nfs/dbraw/zinc/01/78/77/629017877.db2.gz NGQSAUKZSFPBOR-ZFWWWQNUSA-N 1 2 271.364 1.747 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC)c1ccccn1 ZINC000910342411 629017878 /nfs/dbraw/zinc/01/78/78/629017878.db2.gz NGQSAUKZSFPBOR-ZFWWWQNUSA-N 1 2 271.364 1.747 20 30 CDEDLO C=CCCCC(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913467371 630497337 /nfs/dbraw/zinc/49/73/37/630497337.db2.gz LOSINHPGCQBATF-CYBMUJFWSA-N 1 2 262.357 1.249 20 30 CDEDLO Cn1c[nH+]cc1CN=Nc1nnc(-c2ccccn2)s1 ZINC000788026482 631084532 /nfs/dbraw/zinc/08/45/32/631084532.db2.gz HWELSSNPAUKYJS-UHFFFAOYSA-N 1 2 285.336 1.780 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C)s2)C1 ZINC000923597332 631803620 /nfs/dbraw/zinc/80/36/20/631803620.db2.gz NJWXKKZRGQJOPR-GFCCVEGCSA-N 1 2 262.378 1.884 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)s2)C1 ZINC000923597332 631803623 /nfs/dbraw/zinc/80/36/23/631803623.db2.gz NJWXKKZRGQJOPR-GFCCVEGCSA-N 1 2 262.378 1.884 20 30 CDEDLO C=CCNC(=S)NN=C1CCN(c2cccc[nH+]2)CC1 ZINC000915943270 631875933 /nfs/dbraw/zinc/87/59/33/631875933.db2.gz XFNPFNZJXRKADG-UHFFFAOYSA-N 1 2 289.408 1.688 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)COc1cccc(C#N)c1 ZINC000918583401 632391745 /nfs/dbraw/zinc/39/17/45/632391745.db2.gz GTOYHYQKUCWVCO-LBPRGKRZSA-N 1 2 284.319 1.338 20 30 CDEDLO CCOC(=O)[C@H](C#N)Nc1cn2cc[nH+]c2cc1OC ZINC001170371697 1162340849 /nfs/dbraw/zinc/34/08/49/1162340849.db2.gz XDIPQILMXSRXGY-VIFPVBQESA-N 1 2 274.280 1.210 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]N[C@@H](C)C(C)(C)C ZINC000793114787 1162394150 /nfs/dbraw/zinc/39/41/50/1162394150.db2.gz NMGJOZLLSPFUMY-QMMMGPOBSA-N 1 2 251.334 1.426 20 30 CDEDLO CC[C@@H](Cc1ccc2c(c1)OCO2)N1CC[NH2+]C[C@H]1C#N ZINC001170436885 1162442252 /nfs/dbraw/zinc/44/22/52/1162442252.db2.gz LCMXBHTZXHXBBV-UONOGXRCSA-N 1 2 287.363 1.534 20 30 CDEDLO Cc1ccn(C[N@H+]2CCSCC[C@H]2C)c(=O)c1C#N ZINC000790480063 1162852284 /nfs/dbraw/zinc/85/22/84/1162852284.db2.gz XJBLMONKSHJVFB-GFCCVEGCSA-N 1 2 277.393 1.813 20 30 CDEDLO Cc1ccn(C[N@@H+]2CCSCC[C@H]2C)c(=O)c1C#N ZINC000790480063 1162852288 /nfs/dbraw/zinc/85/22/88/1162852288.db2.gz XJBLMONKSHJVFB-GFCCVEGCSA-N 1 2 277.393 1.813 20 30 CDEDLO N#Cc1ccc(F)c(-c2noc(C[N@H+]3CC[C@@H](O)C3)n2)c1 ZINC001211786684 1159960598 /nfs/dbraw/zinc/96/05/98/1159960598.db2.gz XHQDEMRHUWDHOB-SNVBAGLBSA-N 1 2 288.282 1.314 20 30 CDEDLO N#Cc1ccc(F)c(-c2noc(C[N@@H+]3CC[C@@H](O)C3)n2)c1 ZINC001211786684 1159960603 /nfs/dbraw/zinc/96/06/03/1159960603.db2.gz XHQDEMRHUWDHOB-SNVBAGLBSA-N 1 2 288.282 1.314 20 30 CDEDLO C#CC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1nc2ccccc2[nH]1 ZINC001268942465 1160024473 /nfs/dbraw/zinc/02/44/73/1160024473.db2.gz TWMSPDOOHWYHPX-GJZGRUSLSA-N 1 2 294.358 1.371 20 30 CDEDLO C#CC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1nc2ccccc2[nH]1 ZINC001268942465 1160024480 /nfs/dbraw/zinc/02/44/80/1160024480.db2.gz TWMSPDOOHWYHPX-GJZGRUSLSA-N 1 2 294.358 1.371 20 30 CDEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccn(C)n2)C1 ZINC001131898380 1163100745 /nfs/dbraw/zinc/10/07/45/1163100745.db2.gz ABWSXJKUYOJCLV-KBPBESRZSA-N 1 2 290.411 1.855 20 30 CDEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccn(C)n2)C1 ZINC001131898380 1163100747 /nfs/dbraw/zinc/10/07/47/1163100747.db2.gz ABWSXJKUYOJCLV-KBPBESRZSA-N 1 2 290.411 1.855 20 30 CDEDLO C[C@@H]1[C@H](NCC#N)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000986428316 1160455697 /nfs/dbraw/zinc/45/56/97/1160455697.db2.gz VSAQXKZGWUHNJE-ZYHUDNBSSA-N 1 2 283.335 1.279 20 30 CDEDLO C=CCN1CC(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001030753002 1161061612 /nfs/dbraw/zinc/06/16/12/1161061612.db2.gz CMMDXAJRGJLPPP-UHFFFAOYSA-N 1 2 282.347 1.472 20 30 CDEDLO C#CCCCC(=O)N[C@H](C)[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001113010384 1162069140 /nfs/dbraw/zinc/06/91/40/1162069140.db2.gz YHHSGZIMOJOTJG-VXGBXAGGSA-N 1 2 274.368 1.894 20 30 CDEDLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)Nc1ncccc1C#N ZINC001113082207 1162094509 /nfs/dbraw/zinc/09/45/09/1162094509.db2.gz OSEHWGUFRMFNGW-NEPJUHHUSA-N 1 2 298.350 1.155 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCOc2ccccc2F)CC1 ZINC001113603715 1162236694 /nfs/dbraw/zinc/23/66/94/1162236694.db2.gz YZAPLIGYJTZQLP-UHFFFAOYSA-N 1 2 292.354 1.925 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)OC[C@@H]2CCCCO2)CC1 ZINC001113719060 1162266278 /nfs/dbraw/zinc/26/62/78/1162266278.db2.gz VDJGUEHITFYIDP-CABCVRRESA-N 1 2 296.411 1.291 20 30 CDEDLO C#CCOc1ccc(NC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000810184746 1163179827 /nfs/dbraw/zinc/17/98/27/1163179827.db2.gz YLRWGUXHFNJCDM-UHFFFAOYSA-N 1 2 296.330 1.943 20 30 CDEDLO C=CCCC1(C(=O)NCC[NH2+]Cc2nccc(C)n2)CC1 ZINC001133375708 1163659230 /nfs/dbraw/zinc/65/92/30/1163659230.db2.gz FFPPSNHJWJBQPQ-UHFFFAOYSA-N 1 2 288.395 1.737 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCc2nc(Cl)ncc2C1 ZINC001252599950 1164559288 /nfs/dbraw/zinc/55/92/88/1164559288.db2.gz QMMFFUAIYBNBIY-NSHDSACASA-N 1 2 267.760 1.815 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCc2nc(Cl)ncc2C1 ZINC001252599950 1164559293 /nfs/dbraw/zinc/55/92/93/1164559293.db2.gz QMMFFUAIYBNBIY-NSHDSACASA-N 1 2 267.760 1.815 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874888496 1165689754 /nfs/dbraw/zinc/68/97/54/1165689754.db2.gz PDISRKBSJDDMPC-BXUZGUMPSA-N 1 2 275.327 1.848 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)NCc1c[nH+]cn1C ZINC000355275643 1167339306 /nfs/dbraw/zinc/33/93/06/1167339306.db2.gz YZXJAEAPAZTOIK-UHFFFAOYSA-N 1 2 254.293 1.530 20 30 CDEDLO C=CC(C)(C)C(=O)NC1CC[NH+](Cc2ccon2)CC1 ZINC001228622617 1167384064 /nfs/dbraw/zinc/38/40/64/1167384064.db2.gz ZZEQRVMABSQBOQ-UHFFFAOYSA-N 1 2 277.368 1.967 20 30 CDEDLO CC#CC[C@H]([NH3+])C(=O)Nc1nccc(Br)c1O ZINC001574969439 1171066981 /nfs/dbraw/zinc/06/69/81/1171066981.db2.gz JCENWQODDSECOD-QMMMGPOBSA-N 1 2 298.140 1.229 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@H](C)COC ZINC001713471932 1178588620 /nfs/dbraw/zinc/58/86/20/1178588620.db2.gz GCXCYLVCASUCPC-JTQLQIEISA-N 1 2 262.781 1.460 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@H](C)COC ZINC001713471932 1178588626 /nfs/dbraw/zinc/58/86/26/1178588626.db2.gz GCXCYLVCASUCPC-JTQLQIEISA-N 1 2 262.781 1.460 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H](C)OCC ZINC001714579197 1179228256 /nfs/dbraw/zinc/22/82/56/1179228256.db2.gz XBWYNHRJSGRDKY-LLVKDONJSA-N 1 2 262.781 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H](C)OCC ZINC001714579197 1179228259 /nfs/dbraw/zinc/22/82/59/1179228259.db2.gz XBWYNHRJSGRDKY-LLVKDONJSA-N 1 2 262.781 1.602 20 30 CDEDLO C=CCN1CC[NH+](CCN(C)C(=O)CC2(C)CC2)CC1 ZINC001753342822 1185162411 /nfs/dbraw/zinc/16/24/11/1185162411.db2.gz YYOYFCSWHHTTEX-UHFFFAOYSA-N 1 2 279.428 1.439 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)CC[C@@H]2CCOC2)C1 ZINC001753374421 1185175333 /nfs/dbraw/zinc/17/53/33/1185175333.db2.gz DOOHRODBZKJXQR-GFCCVEGCSA-N 1 2 252.358 1.180 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NC/C=C/C[NH2+]Cc1nncs1 ZINC001754157126 1185485712 /nfs/dbraw/zinc/48/57/12/1185485712.db2.gz RKFGSWIEGIWYNW-AATRIKPKSA-N 1 2 294.424 1.902 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NC/C=C\C[NH2+]Cc1nncs1 ZINC001754157127 1185485943 /nfs/dbraw/zinc/48/59/43/1185485943.db2.gz RKFGSWIEGIWYNW-WAYWQWQTSA-N 1 2 294.424 1.902 20 30 CDEDLO C=CCC1(C(=O)N[C@@H](C)C[NH2+]Cc2nnc(C)o2)CCC1 ZINC001754282332 1185549344 /nfs/dbraw/zinc/54/93/44/1185549344.db2.gz VLHLMNVGELIYHB-NSHDSACASA-N 1 2 292.383 1.719 20 30 CDEDLO C=CCCC(=O)N1CCC[C@H]1C[NH2+]Cc1nc(CC)no1 ZINC001754607320 1185681922 /nfs/dbraw/zinc/68/19/22/1185681922.db2.gz YOAIUICXFSEJRA-LBPRGKRZSA-N 1 2 292.383 1.679 20 30 CDEDLO C=CC1(CC(=O)NCC2(O)C[NH+](CC)C2)CCCCC1 ZINC001754775742 1185728873 /nfs/dbraw/zinc/72/88/73/1185728873.db2.gz GFDLGTGVXSFRJK-UHFFFAOYSA-N 1 2 280.412 1.696 20 30 CDEDLO C=CC(C)(C)C(=O)N(C)CCC[N@H+](C)Cc1cn(C)nn1 ZINC001755041149 1185795634 /nfs/dbraw/zinc/79/56/34/1185795634.db2.gz MZZWXKXIDJUVNC-UHFFFAOYSA-N 1 2 293.415 1.308 20 30 CDEDLO C=CC(C)(C)C(=O)N(C)CCC[N@@H+](C)Cc1cn(C)nn1 ZINC001755041149 1185795638 /nfs/dbraw/zinc/79/56/38/1185795638.db2.gz MZZWXKXIDJUVNC-UHFFFAOYSA-N 1 2 293.415 1.308 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)C#CC(C)C)O2 ZINC001755054649 1185802602 /nfs/dbraw/zinc/80/26/02/1185802602.db2.gz SBAMPWYHWHMHJH-HNNXBMFYSA-N 1 2 290.407 1.572 20 30 CDEDLO Cc1noc(C[NH2+][C@H]2C[C@H](C)N(C(=O)C#CC(C)C)C2)n1 ZINC001755678903 1186035350 /nfs/dbraw/zinc/03/53/50/1186035350.db2.gz QAJGJOSGCAPMJS-AAEUAGOBSA-N 1 2 290.367 1.116 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[NH2+][C@H](C)c2nc(CC)no2)C1 ZINC001133571273 1163792366 /nfs/dbraw/zinc/79/23/66/1163792366.db2.gz LYUOWNOSGJCKGT-LLVKDONJSA-N 1 2 292.383 1.755 20 30 CDEDLO C=CC[NH+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC001165034454 721872492 /nfs/dbraw/zinc/87/24/92/721872492.db2.gz KYBNBNKRKCAMLS-UHFFFAOYSA-N 1 2 263.301 1.001 20 30 CDEDLO c1ccc(N2CCC(N=Nc3cncnc3)CC2)[nH+]c1 ZINC000794978556 1164886901 /nfs/dbraw/zinc/88/69/01/1164886901.db2.gz IZGLHLBSOXZRFK-UHFFFAOYSA-N 1 2 268.324 1.940 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@@](C)(c2ccccc2F)C1=O ZINC000872600545 1165455437 /nfs/dbraw/zinc/45/54/37/1165455437.db2.gz HETMORCYHZMBHI-WBMJQRKESA-N 1 2 274.339 1.837 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@@](C)(c2ccccc2F)C1=O ZINC000872600545 1165455442 /nfs/dbraw/zinc/45/54/42/1165455442.db2.gz HETMORCYHZMBHI-WBMJQRKESA-N 1 2 274.339 1.837 20 30 CDEDLO C#CCC(C)(C)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000874707568 1165658858 /nfs/dbraw/zinc/65/88/58/1165658858.db2.gz NBWNWNNEYOMLGG-ZDUSSCGKSA-N 1 2 266.385 1.263 20 30 CDEDLO C#CCC(C)(C)C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000874707568 1165658862 /nfs/dbraw/zinc/65/88/62/1165658862.db2.gz NBWNWNNEYOMLGG-ZDUSSCGKSA-N 1 2 266.385 1.263 20 30 CDEDLO CCOC(=O)[C@H]1CC12CCC(N1CC[NH2+]C[C@H]1C#N)CC2 ZINC001173607924 912648322 /nfs/dbraw/zinc/64/83/22/912648322.db2.gz LOAIHZSGUXZKAO-MYMJJRTCSA-N 1 2 291.395 1.296 20 30 CDEDLO C=C1CC(C)(C(=O)NC2C[NH+](CCc3cnn(C)c3)C2)C1 ZINC001030924510 913126474 /nfs/dbraw/zinc/12/64/74/913126474.db2.gz RMMNEZXZCSRONR-UHFFFAOYSA-N 1 2 288.395 1.119 20 30 CDEDLO C#Cc1cnc(Nc2ccc(N(C)C)[nH+]c2)c(C#C)n1 ZINC001175341414 913524000 /nfs/dbraw/zinc/52/40/00/913524000.db2.gz QERNXDANCHYUCP-UHFFFAOYSA-N 1 2 263.304 1.644 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2snnc2C)[C@@H]1C ZINC000993054901 913670906 /nfs/dbraw/zinc/67/09/06/913670906.db2.gz ZMBKYZRYLFJEBL-RYUDHWBXSA-N 1 2 292.408 1.453 20 30 CDEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2snnc2C)[C@@H]1C ZINC000993054901 913670911 /nfs/dbraw/zinc/67/09/11/913670911.db2.gz ZMBKYZRYLFJEBL-RYUDHWBXSA-N 1 2 292.408 1.453 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccn[nH]2)[C@H]1C ZINC000993068832 913712619 /nfs/dbraw/zinc/71/26/19/913712619.db2.gz JKMCVICTUUPFKE-MNOVXSKESA-N 1 2 282.775 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccn[nH]2)[C@H]1C ZINC000993068832 913712627 /nfs/dbraw/zinc/71/26/27/913712627.db2.gz JKMCVICTUUPFKE-MNOVXSKESA-N 1 2 282.775 1.745 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2C2CCCC2)C1 ZINC001031173242 913852633 /nfs/dbraw/zinc/85/26/33/913852633.db2.gz HVYRZWFIMRWOSQ-LSDHHAIUSA-N 1 2 260.381 1.636 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccnc(C(F)(F)F)c2)C1 ZINC001031197521 913951145 /nfs/dbraw/zinc/95/11/45/913951145.db2.gz QAPAAFIDRXVVHR-UHFFFAOYSA-N 1 2 297.280 1.538 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccoc1CC ZINC001038208752 895828338 /nfs/dbraw/zinc/82/83/38/895828338.db2.gz PYQDYTAUBNKYQX-LBPRGKRZSA-N 1 2 260.337 1.669 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccoc1CC ZINC001038208752 895828343 /nfs/dbraw/zinc/82/83/43/895828343.db2.gz PYQDYTAUBNKYQX-LBPRGKRZSA-N 1 2 260.337 1.669 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCCCNCC#N ZINC001176351039 914081949 /nfs/dbraw/zinc/08/19/49/914081949.db2.gz OZCBBXMXOAAVBU-LLVKDONJSA-N 1 2 277.372 1.049 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)C1 ZINC001031218189 914086098 /nfs/dbraw/zinc/08/60/98/914086098.db2.gz UTCFZTSLOHDCSB-DZGCQCFKSA-N 1 2 280.412 1.814 20 30 CDEDLO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2cn[nH]c21 ZINC001038259363 897388324 /nfs/dbraw/zinc/38/83/24/897388324.db2.gz AEAQSYFUSMIUDN-ZIAGYGMSSA-N 1 2 288.395 1.596 20 30 CDEDLO C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2cn[nH]c21 ZINC001038259363 897388334 /nfs/dbraw/zinc/38/83/34/897388334.db2.gz AEAQSYFUSMIUDN-ZIAGYGMSSA-N 1 2 288.395 1.596 20 30 CDEDLO N#CCN1CCC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001023486823 897589352 /nfs/dbraw/zinc/58/93/52/897589352.db2.gz VDIYXGASEVYUIJ-ZDUSSCGKSA-N 1 2 297.362 1.300 20 30 CDEDLO Cn1nccc1C(=O)/C=C\c1c[nH+]c2ccccn12 ZINC000588595157 897698282 /nfs/dbraw/zinc/69/82/82/897698282.db2.gz SCNWJFUMQHKQDD-WAYWQWQTSA-N 1 2 252.277 1.964 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnn1C(C)C ZINC001038294343 897811377 /nfs/dbraw/zinc/81/13/77/897811377.db2.gz DJKGBLCNWZAQFU-CYBMUJFWSA-N 1 2 274.368 1.291 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnn1C(C)C ZINC001038294343 897811383 /nfs/dbraw/zinc/81/13/83/897811383.db2.gz DJKGBLCNWZAQFU-CYBMUJFWSA-N 1 2 274.368 1.291 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(Br)ccn2)CC1 ZINC001140766170 898249158 /nfs/dbraw/zinc/24/91/58/898249158.db2.gz BCRBNSDSEXISIR-UHFFFAOYSA-N 1 2 294.196 1.595 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)cn1 ZINC001018194590 898663454 /nfs/dbraw/zinc/66/34/54/898663454.db2.gz CYDYNNUIBZBPHD-BETUJISGSA-N 1 2 289.766 1.657 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)cn1 ZINC001018194590 898663464 /nfs/dbraw/zinc/66/34/64/898663464.db2.gz CYDYNNUIBZBPHD-BETUJISGSA-N 1 2 289.766 1.657 20 30 CDEDLO CC(C)c1cnc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC001018629601 898736208 /nfs/dbraw/zinc/73/62/08/898736208.db2.gz ABDGCEKOOVTKSM-RYUDHWBXSA-N 1 2 290.367 1.648 20 30 CDEDLO N#Cc1cccc2[nH]nc(NC(=O)Cc3c[nH]c[nH+]3)c21 ZINC001176827581 914281641 /nfs/dbraw/zinc/28/16/41/914281641.db2.gz OHMOZZRBVKLLGV-UHFFFAOYSA-N 1 2 266.264 1.339 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001019237962 898929407 /nfs/dbraw/zinc/92/94/07/898929407.db2.gz GMWLTLOBIYTDMJ-NSHDSACASA-N 1 2 278.356 1.281 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2(c3ccccn3)CC2)CC1 ZINC001176802300 914311609 /nfs/dbraw/zinc/31/16/09/914311609.db2.gz DMEBMDZMFQDNCN-UHFFFAOYSA-N 1 2 271.364 1.443 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(N(C)C)cc2)C1 ZINC001031306403 914425639 /nfs/dbraw/zinc/42/56/39/914425639.db2.gz CNZHAXQTVZMKOM-UHFFFAOYSA-N 1 2 271.364 1.190 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2nc[nH]n2)[C@H]1C ZINC000994171163 914429468 /nfs/dbraw/zinc/42/94/68/914429468.db2.gz DVMJWVNXACDKMP-MNOVXSKESA-N 1 2 297.790 1.069 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2nc[nH]n2)[C@H]1C ZINC000994171163 914429474 /nfs/dbraw/zinc/42/94/74/914429474.db2.gz DVMJWVNXACDKMP-MNOVXSKESA-N 1 2 297.790 1.069 20 30 CDEDLO N#Cc1csc(C[N@@H+]2CCC3(C2)OCCO3)c1 ZINC000093013724 900348440 /nfs/dbraw/zinc/34/84/40/900348440.db2.gz VLPNQBBQQXJEBS-UHFFFAOYSA-N 1 2 250.323 1.569 20 30 CDEDLO N#Cc1csc(C[N@H+]2CCC3(C2)OCCO3)c1 ZINC000093013724 900348446 /nfs/dbraw/zinc/34/84/46/900348446.db2.gz VLPNQBBQQXJEBS-UHFFFAOYSA-N 1 2 250.323 1.569 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2COC)C1 ZINC001009197596 900382587 /nfs/dbraw/zinc/38/25/87/900382587.db2.gz WAPZVMLFUCQKMZ-CYBMUJFWSA-N 1 2 292.404 1.722 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2COC)C1 ZINC001009197596 900382599 /nfs/dbraw/zinc/38/25/99/900382599.db2.gz WAPZVMLFUCQKMZ-CYBMUJFWSA-N 1 2 292.404 1.722 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C)cn1 ZINC001027823821 900855495 /nfs/dbraw/zinc/85/54/95/900855495.db2.gz AKJBDGQCPIMGGH-LLVKDONJSA-N 1 2 282.775 1.367 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C)cn1 ZINC001027823821 900855502 /nfs/dbraw/zinc/85/55/02/900855502.db2.gz AKJBDGQCPIMGGH-LLVKDONJSA-N 1 2 282.775 1.367 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnco1 ZINC001028053323 901208510 /nfs/dbraw/zinc/20/85/10/901208510.db2.gz AKINJMAZKGSFLS-JTQLQIEISA-N 1 2 269.732 1.621 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnco1 ZINC001028053323 901208526 /nfs/dbraw/zinc/20/85/26/901208526.db2.gz AKINJMAZKGSFLS-JTQLQIEISA-N 1 2 269.732 1.621 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc(F)cc2)C1 ZINC001031337318 914534125 /nfs/dbraw/zinc/53/41/25/914534125.db2.gz PCVQJXDZUWUSRP-UHFFFAOYSA-N 1 2 260.312 1.192 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1snnc1C(C)C ZINC001028220017 901669428 /nfs/dbraw/zinc/66/94/28/901669428.db2.gz MHJDRNKXIVEAPT-LLVKDONJSA-N 1 2 292.408 1.489 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1snnc1C(C)C ZINC001028220017 901669434 /nfs/dbraw/zinc/66/94/34/901669434.db2.gz MHJDRNKXIVEAPT-LLVKDONJSA-N 1 2 292.408 1.489 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1[nH]cnc1CC ZINC001028290295 902096442 /nfs/dbraw/zinc/09/64/42/902096442.db2.gz QTHGIEGPVBHKST-NSHDSACASA-N 1 2 296.802 1.919 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]cnc1CC ZINC001028290295 902096456 /nfs/dbraw/zinc/09/64/56/902096456.db2.gz QTHGIEGPVBHKST-NSHDSACASA-N 1 2 296.802 1.919 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3oc(C)nc32)C1 ZINC001031457410 914650081 /nfs/dbraw/zinc/65/00/81/914650081.db2.gz LCOVUBSHGAOGOQ-UHFFFAOYSA-N 1 2 283.331 1.574 20 30 CDEDLO C=CC1CCN(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001123793923 914662692 /nfs/dbraw/zinc/66/26/92/914662692.db2.gz GNJOCSBFEXETMA-HIFRSBDPSA-N 1 2 294.443 1.228 20 30 CDEDLO C=CC1CCN(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC001123793923 914662697 /nfs/dbraw/zinc/66/26/97/914662697.db2.gz GNJOCSBFEXETMA-HIFRSBDPSA-N 1 2 294.443 1.228 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)C2CCOCC2)C1 ZINC001031495696 914676270 /nfs/dbraw/zinc/67/62/70/914676270.db2.gz LKBSDRHRFGKZHJ-GFCCVEGCSA-N 1 2 266.385 1.426 20 30 CDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1ccco1 ZINC001031517570 914688482 /nfs/dbraw/zinc/68/84/82/914688482.db2.gz RNTJYPCHHJNICY-UHFFFAOYSA-N 1 2 294.354 1.993 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCCCO2)C1 ZINC001031610213 914793189 /nfs/dbraw/zinc/79/31/89/914793189.db2.gz AZZVZLHBFNYSSJ-GFCCVEGCSA-N 1 2 272.776 1.356 20 30 CDEDLO C#CCCCC(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128327864 921269594 /nfs/dbraw/zinc/26/95/94/921269594.db2.gz XRONPUBMRDGMHR-UHFFFAOYSA-N 1 2 274.368 1.138 20 30 CDEDLO C#CCCCC(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128327864 921269597 /nfs/dbraw/zinc/26/95/97/921269597.db2.gz XRONPUBMRDGMHR-UHFFFAOYSA-N 1 2 274.368 1.138 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(-c2ccccn2)n1 ZINC001038463631 906827618 /nfs/dbraw/zinc/82/76/18/906827618.db2.gz VILHCKBNBZSEMI-LBPRGKRZSA-N 1 2 298.346 1.727 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1coc(-c2ccccn2)n1 ZINC001038463631 906827631 /nfs/dbraw/zinc/82/76/31/906827631.db2.gz VILHCKBNBZSEMI-LBPRGKRZSA-N 1 2 298.346 1.727 20 30 CDEDLO CCC[N@H+]1CCn2ncc(CNC(=O)C#CC3CC3)c2C1 ZINC001128350570 921278300 /nfs/dbraw/zinc/27/83/00/921278300.db2.gz FIIAYHPGVYDADP-UHFFFAOYSA-N 1 2 286.379 1.138 20 30 CDEDLO CCC[N@@H+]1CCn2ncc(CNC(=O)C#CC3CC3)c2C1 ZINC001128350570 921278297 /nfs/dbraw/zinc/27/82/97/921278297.db2.gz FIIAYHPGVYDADP-UHFFFAOYSA-N 1 2 286.379 1.138 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nnc(OCC)s1 ZINC001128418712 921299216 /nfs/dbraw/zinc/29/92/16/921299216.db2.gz RXOXRAXGLYFKJB-UHFFFAOYSA-N 1 2 298.412 1.499 20 30 CDEDLO N#CCc1ccc[nH+]c1NCC1CCS(=O)(=O)CC1 ZINC001168294243 908912205 /nfs/dbraw/zinc/91/22/05/908912205.db2.gz FZQFWHXOVYTCGD-UHFFFAOYSA-N 1 2 279.365 1.384 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnc(C)cn2)C1 ZINC001032877939 921462347 /nfs/dbraw/zinc/46/23/47/921462347.db2.gz ASTOMFHRBVDYPJ-LBPRGKRZSA-N 1 2 294.786 1.684 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnc(C)cn2)C1 ZINC001032877939 921462356 /nfs/dbraw/zinc/46/23/56/921462356.db2.gz ASTOMFHRBVDYPJ-LBPRGKRZSA-N 1 2 294.786 1.684 20 30 CDEDLO C=CCCNC(=S)NCc1c[nH+]cn1CCOC ZINC001247675470 909674643 /nfs/dbraw/zinc/67/46/43/909674643.db2.gz IOJOSDLJYHGBQL-UHFFFAOYSA-N 1 2 268.386 1.070 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCOC2)C1 ZINC001032967495 921525788 /nfs/dbraw/zinc/52/57/88/921525788.db2.gz MPMTUGAUCZYRQI-STQMWFEESA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCOC2)C1 ZINC001032967495 921525799 /nfs/dbraw/zinc/52/57/99/921525799.db2.gz MPMTUGAUCZYRQI-STQMWFEESA-N 1 2 286.803 1.698 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CC(C)(C)O)CC2)C1 ZINC001093530505 909912700 /nfs/dbraw/zinc/91/27/00/909912700.db2.gz DBQGQWGDEGYDMK-UHFFFAOYSA-N 1 2 296.411 1.025 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2ccc(C)cn21 ZINC001038513053 910375144 /nfs/dbraw/zinc/37/51/44/910375144.db2.gz CWARCDZKIJZHPR-ZDUSSCGKSA-N 1 2 282.347 1.080 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2ccc(C)cn21 ZINC001038513053 910375161 /nfs/dbraw/zinc/37/51/61/910375161.db2.gz CWARCDZKIJZHPR-ZDUSSCGKSA-N 1 2 282.347 1.080 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)sc2C)[C@@H](O)C1 ZINC001083613852 910668915 /nfs/dbraw/zinc/66/89/15/910668915.db2.gz QHIDVKJAEQXKJD-KGLIPLIRSA-N 1 2 292.404 1.163 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)sc2C)[C@@H](O)C1 ZINC001083613852 910668926 /nfs/dbraw/zinc/66/89/26/910668926.db2.gz QHIDVKJAEQXKJD-KGLIPLIRSA-N 1 2 292.404 1.163 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCSC)[C@H](O)C1 ZINC001099654990 921654920 /nfs/dbraw/zinc/65/49/20/921654920.db2.gz VIVYCISFONGKKV-GHMZBOCLSA-N 1 2 292.832 1.043 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCSC)[C@H](O)C1 ZINC001099654990 921654928 /nfs/dbraw/zinc/65/49/28/921654928.db2.gz VIVYCISFONGKKV-GHMZBOCLSA-N 1 2 292.832 1.043 20 30 CDEDLO N#CC1([NH2+][C@@H]2CCN3C(=O)CC[C@@H]3C2)CCCCC1 ZINC001172173250 911427543 /nfs/dbraw/zinc/42/75/43/911427543.db2.gz UVCFWEMBYGCQGF-CHWSQXEVSA-N 1 2 261.369 1.956 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCC[C@@H](F)C2)C1 ZINC001030299296 911664247 /nfs/dbraw/zinc/66/42/47/911664247.db2.gz VCCSFXVVOKZVGV-VXGBXAGGSA-N 1 2 252.333 1.338 20 30 CDEDLO C[C@H](CCCC#N)[NH2+][C@H](CO)C(=O)OCc1ccccc1 ZINC001172480126 911684200 /nfs/dbraw/zinc/68/42/00/911684200.db2.gz MPLCSFKIWRRPAC-UKRRQHHQSA-N 1 2 290.363 1.763 20 30 CDEDLO N#Cc1cnoc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212665497 911730996 /nfs/dbraw/zinc/73/09/96/911730996.db2.gz RPDMJXXLMNMIIG-UHFFFAOYSA-N 1 2 270.292 1.466 20 30 CDEDLO C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001033083758 921704734 /nfs/dbraw/zinc/70/47/34/921704734.db2.gz KNHDIWNCBOEKTP-STQMWFEESA-N 1 2 288.395 1.548 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001033083758 921704741 /nfs/dbraw/zinc/70/47/41/921704741.db2.gz KNHDIWNCBOEKTP-STQMWFEESA-N 1 2 288.395 1.548 20 30 CDEDLO C[C@H](O)[C@H]([NH3+])c1nc(-c2cc(C#N)ccc2F)no1 ZINC001249073872 912160037 /nfs/dbraw/zinc/16/00/37/912160037.db2.gz WWOFNSWOBRUTPY-WKEGUHRASA-N 1 2 262.244 1.128 20 30 CDEDLO C#CCCCCNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000921441697 914928330 /nfs/dbraw/zinc/92/83/30/914928330.db2.gz SYYHNWZRONIZJJ-CQSZACIVSA-N 1 2 281.400 1.200 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](C[C@@H](F)CC)C[C@@H]2O)C1 ZINC001083763445 915020256 /nfs/dbraw/zinc/02/02/56/915020256.db2.gz LARPQQQAFZYKAZ-XQQFMLRXSA-N 1 2 284.375 1.252 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](C[C@@H](F)CC)C[C@@H]2O)C1 ZINC001083763445 915020269 /nfs/dbraw/zinc/02/02/69/915020269.db2.gz LARPQQQAFZYKAZ-XQQFMLRXSA-N 1 2 284.375 1.252 20 30 CDEDLO N#CCNCCCCCCNC(=O)c1cccc2[nH+]ccn21 ZINC001179006193 915721125 /nfs/dbraw/zinc/72/11/25/915721125.db2.gz IYNATIIGTHIHNI-UHFFFAOYSA-N 1 2 299.378 1.738 20 30 CDEDLO CC(C)C#CC(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C)n2)C1 ZINC001190046608 921809191 /nfs/dbraw/zinc/80/91/91/921809191.db2.gz KJVMJVOQYGVWAQ-HNNXBMFYSA-N 1 2 288.395 1.112 20 30 CDEDLO CC(C)C#CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC001190046608 921809203 /nfs/dbraw/zinc/80/92/03/921809203.db2.gz KJVMJVOQYGVWAQ-HNNXBMFYSA-N 1 2 288.395 1.112 20 30 CDEDLO N#Cc1cc(CC(=O)NCCOc2cc[nH+]cc2)ccc1F ZINC001181204642 916902716 /nfs/dbraw/zinc/90/27/16/916902716.db2.gz IEQPJYCCMZFCFH-UHFFFAOYSA-N 1 2 299.305 1.830 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1(C)CC1)CCO2 ZINC001053269754 936411082 /nfs/dbraw/zinc/41/10/82/936411082.db2.gz JHILCOKGMXJOCD-UHFFFAOYSA-N 1 2 264.369 1.276 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cccn1C)CCO2 ZINC001053159361 936409494 /nfs/dbraw/zinc/40/94/94/936409494.db2.gz RCAQXYXIJCQHHS-UHFFFAOYSA-N 1 2 289.379 1.128 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC=CCC1)CCO2 ZINC001053152788 936409548 /nfs/dbraw/zinc/40/95/48/936409548.db2.gz HOKHOIBMGCJGGM-OAHLLOKOSA-N 1 2 290.407 1.832 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1=CCCC1)CCO2 ZINC001053219593 936410474 /nfs/dbraw/zinc/41/04/74/936410474.db2.gz VNWGTTCWQBVVNX-UHFFFAOYSA-N 1 2 276.380 1.586 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccccc1)CO2 ZINC001053725045 936418083 /nfs/dbraw/zinc/41/80/83/936418083.db2.gz XDAPEDCKEBUZBA-OAHLLOKOSA-N 1 2 284.359 1.283 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)C1CCC1)CO2 ZINC001053844318 936421285 /nfs/dbraw/zinc/42/12/85/936421285.db2.gz GNMHSPIRAQIFKX-DZGCQCFKSA-N 1 2 292.423 1.958 20 30 CDEDLO N#Cc1cc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)c(F)cc1F ZINC001237523594 917471330 /nfs/dbraw/zinc/47/13/30/917471330.db2.gz BMUFNDFVIBSBOH-XPTSAGLGSA-N 1 2 282.290 1.012 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c(F)cc1F ZINC001237523594 917471336 /nfs/dbraw/zinc/47/13/36/917471336.db2.gz BMUFNDFVIBSBOH-XPTSAGLGSA-N 1 2 282.290 1.012 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cccnc2Cl)C1 ZINC000829974620 936440082 /nfs/dbraw/zinc/44/00/82/936440082.db2.gz HOUCEYMNYLZWPH-GFCCVEGCSA-N 1 2 251.717 1.585 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cccnc2Cl)C1 ZINC000829974620 936440085 /nfs/dbraw/zinc/44/00/85/936440085.db2.gz HOUCEYMNYLZWPH-GFCCVEGCSA-N 1 2 251.717 1.585 20 30 CDEDLO C#CC(C)(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001182641402 918042728 /nfs/dbraw/zinc/04/27/28/918042728.db2.gz HMLXNGNSQJXHJM-GFCCVEGCSA-N 1 2 257.337 1.436 20 30 CDEDLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(C)=O)cc1C#N ZINC001032236121 918044298 /nfs/dbraw/zinc/04/42/98/918044298.db2.gz WVVHDGNGMKXKEH-GJZGRUSLSA-N 1 2 285.347 1.372 20 30 CDEDLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(C)=O)cc1C#N ZINC001032236121 918044306 /nfs/dbraw/zinc/04/43/06/918044306.db2.gz WVVHDGNGMKXKEH-GJZGRUSLSA-N 1 2 285.347 1.372 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC(C)(C)C)C1 ZINC001107743742 918721612 /nfs/dbraw/zinc/72/16/12/918721612.db2.gz XHWWRYHHSZDDHH-INIZCTEOSA-N 1 2 280.412 1.653 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CC(C)(C)C)C1 ZINC001107743742 918721623 /nfs/dbraw/zinc/72/16/23/918721623.db2.gz XHWWRYHHSZDDHH-INIZCTEOSA-N 1 2 280.412 1.653 20 30 CDEDLO C=C(Br)C[N@H+]1CC=C(CNC(C)=O)CC1 ZINC001000346652 936528887 /nfs/dbraw/zinc/52/88/87/936528887.db2.gz ZORFTRQGQPSBOT-UHFFFAOYSA-N 1 2 273.174 1.663 20 30 CDEDLO C=C(Br)C[N@@H+]1CC=C(CNC(C)=O)CC1 ZINC001000346652 936528890 /nfs/dbraw/zinc/52/88/90/936528890.db2.gz ZORFTRQGQPSBOT-UHFFFAOYSA-N 1 2 273.174 1.663 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)OCC(C)C)C1 ZINC001107783499 918774242 /nfs/dbraw/zinc/77/42/42/918774242.db2.gz IZMZHMFUXUICOT-GDBMZVCRSA-N 1 2 298.427 1.441 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)OCC(C)C)C1 ZINC001107783499 918774252 /nfs/dbraw/zinc/77/42/52/918774252.db2.gz IZMZHMFUXUICOT-GDBMZVCRSA-N 1 2 298.427 1.441 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)OCC2CC2)C1 ZINC001107794254 918785631 /nfs/dbraw/zinc/78/56/31/918785631.db2.gz YSDVDYOVVYSZQO-BBRMVZONSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)OCC2CC2)C1 ZINC001107794254 918785641 /nfs/dbraw/zinc/78/56/41/918785641.db2.gz YSDVDYOVVYSZQO-BBRMVZONSA-N 1 2 296.411 1.195 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1Cl ZINC001032373703 918881001 /nfs/dbraw/zinc/88/10/01/918881001.db2.gz CPMBLWNHHORPKJ-QWRGUYRKSA-N 1 2 278.739 1.855 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1Cl ZINC001032373703 918881013 /nfs/dbraw/zinc/88/10/13/918881013.db2.gz CPMBLWNHHORPKJ-QWRGUYRKSA-N 1 2 278.739 1.855 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)/C(C)=C\C)C1 ZINC001107852319 918884593 /nfs/dbraw/zinc/88/45/93/918884593.db2.gz GRYGGCPKDJKNGE-NFEOESJKSA-N 1 2 252.358 1.346 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)/C(C)=C\C)C1 ZINC001107852319 918884606 /nfs/dbraw/zinc/88/46/06/918884606.db2.gz GRYGGCPKDJKNGE-NFEOESJKSA-N 1 2 252.358 1.346 20 30 CDEDLO C#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001032402653 919016098 /nfs/dbraw/zinc/01/60/98/919016098.db2.gz GWBUNUKSHIMJFG-GJZGRUSLSA-N 1 2 294.358 1.175 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(c2ccccn2)CC1 ZINC001032404054 919018846 /nfs/dbraw/zinc/01/88/46/919018846.db2.gz RBONZKGMNHMRGH-KBPBESRZSA-N 1 2 281.359 1.032 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(c2ccccn2)CC1 ZINC001032404054 919018864 /nfs/dbraw/zinc/01/88/64/919018864.db2.gz RBONZKGMNHMRGH-KBPBESRZSA-N 1 2 281.359 1.032 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2nc(C)c[nH]2)CC1 ZINC001001243319 936549877 /nfs/dbraw/zinc/54/98/77/936549877.db2.gz QSSAWEWPKGMCFU-UHFFFAOYSA-N 1 2 294.786 1.833 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2nc(C)c[nH]2)CC1 ZINC001001243319 936549879 /nfs/dbraw/zinc/54/98/79/936549879.db2.gz QSSAWEWPKGMCFU-UHFFFAOYSA-N 1 2 294.786 1.833 20 30 CDEDLO C=C(C)COc1ccccc1C[N@@H+]1CCCNC(=O)C1 ZINC001138661577 936556132 /nfs/dbraw/zinc/55/61/32/936556132.db2.gz CWJQYSJBCDZQFL-UHFFFAOYSA-N 1 2 274.364 1.963 20 30 CDEDLO C=C(C)COc1ccccc1C[N@H+]1CCCNC(=O)C1 ZINC001138661577 936556134 /nfs/dbraw/zinc/55/61/34/936556134.db2.gz CWJQYSJBCDZQFL-UHFFFAOYSA-N 1 2 274.364 1.963 20 30 CDEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccon1 ZINC001272756782 919111790 /nfs/dbraw/zinc/11/17/90/919111790.db2.gz IDQAZAXPANOKSP-ZIAGYGMSSA-N 1 2 288.351 1.544 20 30 CDEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccon1 ZINC001272756782 919111800 /nfs/dbraw/zinc/11/18/00/919111800.db2.gz IDQAZAXPANOKSP-ZIAGYGMSSA-N 1 2 288.351 1.544 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C1CCC1 ZINC001050785758 936564413 /nfs/dbraw/zinc/56/44/13/936564413.db2.gz NIZYNAFOPKCKSX-CYBMUJFWSA-N 1 2 252.358 1.180 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C1CCC1 ZINC001050785758 936564415 /nfs/dbraw/zinc/56/44/15/936564415.db2.gz NIZYNAFOPKCKSX-CYBMUJFWSA-N 1 2 252.358 1.180 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C)on1 ZINC001050804834 936564817 /nfs/dbraw/zinc/56/48/17/936564817.db2.gz YZLDFYWLLKEUGM-CYBMUJFWSA-N 1 2 293.367 1.380 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C)on1 ZINC001050804834 936564818 /nfs/dbraw/zinc/56/48/18/936564818.db2.gz YZLDFYWLLKEUGM-CYBMUJFWSA-N 1 2 293.367 1.380 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccoc1CC ZINC001050904416 936567055 /nfs/dbraw/zinc/56/70/55/936567055.db2.gz DDAODWZCCCHRCS-ZDUSSCGKSA-N 1 2 292.379 1.849 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccoc1CC ZINC001050904416 936567056 /nfs/dbraw/zinc/56/70/56/936567056.db2.gz DDAODWZCCCHRCS-ZDUSSCGKSA-N 1 2 292.379 1.849 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(CC)on1 ZINC001051213200 936569944 /nfs/dbraw/zinc/56/99/44/936569944.db2.gz VWGPXNNCNPIRJY-GFCCVEGCSA-N 1 2 293.367 1.244 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(CC)on1 ZINC001051213200 936569946 /nfs/dbraw/zinc/56/99/46/936569946.db2.gz VWGPXNNCNPIRJY-GFCCVEGCSA-N 1 2 293.367 1.244 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1[nH]cnc1C ZINC001051270644 936570463 /nfs/dbraw/zinc/57/04/63/936570463.db2.gz VHTUVWYCYFZJBX-ZDUSSCGKSA-N 1 2 292.383 1.115 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1[nH]cnc1C ZINC001051270644 936570465 /nfs/dbraw/zinc/57/04/65/936570465.db2.gz VHTUVWYCYFZJBX-ZDUSSCGKSA-N 1 2 292.383 1.115 20 30 CDEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C3CCC3)C2)CC1 ZINC001051965362 936575348 /nfs/dbraw/zinc/57/53/48/936575348.db2.gz YCYDQICIGHAJHB-INIZCTEOSA-N 1 2 291.439 1.581 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2oc(=O)[nH]c21 ZINC001038525498 919430474 /nfs/dbraw/zinc/43/04/74/919430474.db2.gz QMMPEAZQLRSLGG-NSHDSACASA-N 1 2 299.330 1.361 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2oc(=O)[nH]c21 ZINC001038525498 919430485 /nfs/dbraw/zinc/43/04/85/919430485.db2.gz QMMPEAZQLRSLGG-NSHDSACASA-N 1 2 299.330 1.361 20 30 CDEDLO C=CCCc1ccc(C(=O)NCCn2cc[nH+]c2)c(=O)[nH]1 ZINC001185345033 919560197 /nfs/dbraw/zinc/56/01/97/919560197.db2.gz XTRYRWHUAQIVLC-UHFFFAOYSA-N 1 2 286.335 1.532 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2ccccc2C1 ZINC001032649492 919683395 /nfs/dbraw/zinc/68/33/95/919683395.db2.gz NGEKNGUFPBLVKB-SQNIBIBYSA-N 1 2 294.398 1.710 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2ccccc2C1 ZINC001032649492 919683404 /nfs/dbraw/zinc/68/34/04/919683404.db2.gz NGEKNGUFPBLVKB-SQNIBIBYSA-N 1 2 294.398 1.710 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cc2cn[nH]c21 ZINC001032682621 919706428 /nfs/dbraw/zinc/70/64/28/919706428.db2.gz KUZZFEQPADMENS-KBPBESRZSA-N 1 2 294.358 1.403 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cc2cn[nH]c21 ZINC001032682621 919706442 /nfs/dbraw/zinc/70/64/42/919706442.db2.gz KUZZFEQPADMENS-KBPBESRZSA-N 1 2 294.358 1.403 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cc2c[nH]nc21 ZINC001032682621 919706453 /nfs/dbraw/zinc/70/64/53/919706453.db2.gz KUZZFEQPADMENS-KBPBESRZSA-N 1 2 294.358 1.403 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cc2c[nH]nc21 ZINC001032682621 919706468 /nfs/dbraw/zinc/70/64/68/919706468.db2.gz KUZZFEQPADMENS-KBPBESRZSA-N 1 2 294.358 1.403 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(c2ccccc2F)CC1 ZINC001032710724 919728466 /nfs/dbraw/zinc/72/84/66/919728466.db2.gz NQZBSZNNOZWUOY-KBPBESRZSA-N 1 2 298.361 1.776 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(c2ccccc2F)CC1 ZINC001032710724 919728476 /nfs/dbraw/zinc/72/84/76/919728476.db2.gz NQZBSZNNOZWUOY-KBPBESRZSA-N 1 2 298.361 1.776 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(C(F)F)CC1 ZINC001032759035 919954824 /nfs/dbraw/zinc/95/48/24/919954824.db2.gz VNERIEKEJWSKQI-HOAMVYINSA-N 1 2 296.361 1.976 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(C(F)F)CC1 ZINC001032759035 919954837 /nfs/dbraw/zinc/95/48/37/919954837.db2.gz VNERIEKEJWSKQI-HOAMVYINSA-N 1 2 296.361 1.976 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C3CCC3)c2)C1 ZINC001078002842 920044825 /nfs/dbraw/zinc/04/48/25/920044825.db2.gz RGMAFXLLHQBLKK-IAGOWNOFSA-N 1 2 298.386 1.362 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C3CCC3)c2)C1 ZINC001078002842 920044838 /nfs/dbraw/zinc/04/48/38/920044838.db2.gz RGMAFXLLHQBLKK-IAGOWNOFSA-N 1 2 298.386 1.362 20 30 CDEDLO C=CCn1cc(C[NH+]2CCN(c3cccnn3)CC2)cn1 ZINC001139770715 936645417 /nfs/dbraw/zinc/64/54/17/936645417.db2.gz YCSSRPNTRDUAQG-UHFFFAOYSA-N 1 2 284.367 1.181 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2)CC[C@@H]1C ZINC001071338796 936677751 /nfs/dbraw/zinc/67/77/51/936677751.db2.gz ZJTYHKMUBWHYHX-AAEUAGOBSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2)CC[C@@H]1C ZINC001071338796 936677752 /nfs/dbraw/zinc/67/77/52/936677752.db2.gz ZJTYHKMUBWHYHX-AAEUAGOBSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccn[nH]2)CC[C@@H]1C ZINC001071365956 936679101 /nfs/dbraw/zinc/67/91/01/936679101.db2.gz HRCQBJRMZRRJCY-QWRGUYRKSA-N 1 2 282.775 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccn[nH]2)CC[C@@H]1C ZINC001071365956 936679102 /nfs/dbraw/zinc/67/91/02/936679102.db2.gz HRCQBJRMZRRJCY-QWRGUYRKSA-N 1 2 282.775 1.745 20 30 CDEDLO C[N@@H+]1CCN(C(=O)C2(C#N)CC2)[C@@H](c2ccccc2)C1 ZINC000156017184 920868579 /nfs/dbraw/zinc/86/85/79/920868579.db2.gz YRTIPSWNVOMCCM-CQSZACIVSA-N 1 2 269.348 1.805 20 30 CDEDLO C[N@H+]1CCN(C(=O)C2(C#N)CC2)[C@@H](c2ccccc2)C1 ZINC000156017184 920868593 /nfs/dbraw/zinc/86/85/93/920868593.db2.gz YRTIPSWNVOMCCM-CQSZACIVSA-N 1 2 269.348 1.805 20 30 CDEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)CCC)c2C1 ZINC001128164260 920883811 /nfs/dbraw/zinc/88/38/11/920883811.db2.gz HCKAEQHHSRHUTM-UHFFFAOYSA-N 1 2 276.384 1.691 20 30 CDEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)CCC)c2C1 ZINC001128164260 920883824 /nfs/dbraw/zinc/88/38/24/920883824.db2.gz HCKAEQHHSRHUTM-UHFFFAOYSA-N 1 2 276.384 1.691 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cncn2C)CC[C@H]1C ZINC001071655500 936688525 /nfs/dbraw/zinc/68/85/25/936688525.db2.gz NEBLHXNARLMBTP-NEPJUHHUSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cncn2C)CC[C@H]1C ZINC001071655500 936688526 /nfs/dbraw/zinc/68/85/26/936688526.db2.gz NEBLHXNARLMBTP-NEPJUHHUSA-N 1 2 296.802 1.755 20 30 CDEDLO C[C@H]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CN1CC#N ZINC001071679289 936689099 /nfs/dbraw/zinc/68/90/99/936689099.db2.gz LEBNFTOVYFWEHA-QWHCGFSZSA-N 1 2 297.362 1.441 20 30 CDEDLO C=CCONC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000834931885 936710559 /nfs/dbraw/zinc/71/05/59/936710559.db2.gz YMQLXQKAYBJBKC-UHFFFAOYSA-N 1 2 276.340 1.599 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CC=CC3)C[C@@H]21 ZINC001074197506 936734876 /nfs/dbraw/zinc/73/48/76/936734876.db2.gz WRBZFUNFVLWQBW-JKSUJKDBSA-N 1 2 290.407 1.830 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3CC=CC3)C[C@@H]21 ZINC001074197506 936734878 /nfs/dbraw/zinc/73/48/78/936734878.db2.gz WRBZFUNFVLWQBW-JKSUJKDBSA-N 1 2 290.407 1.830 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCC3CC3)C[C@H]21 ZINC001074196830 936735142 /nfs/dbraw/zinc/73/51/42/936735142.db2.gz PVSJBQYGBIJNDX-CVEARBPZSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCC3CC3)C[C@H]21 ZINC001074196830 936735143 /nfs/dbraw/zinc/73/51/43/936735143.db2.gz PVSJBQYGBIJNDX-CVEARBPZSA-N 1 2 290.407 1.502 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2cc[nH]n2)CC1 ZINC001005129295 922182320 /nfs/dbraw/zinc/18/23/20/922182320.db2.gz IDYIPMJTPHAYJV-UHFFFAOYSA-N 1 2 282.775 1.699 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2ccn[nH]2)CC1 ZINC001005129295 922182327 /nfs/dbraw/zinc/18/23/27/922182327.db2.gz IDYIPMJTPHAYJV-UHFFFAOYSA-N 1 2 282.775 1.699 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](CC)[C@@H]2C1 ZINC001074314959 936735969 /nfs/dbraw/zinc/73/59/69/936735969.db2.gz NNXKWUCLFXDCBR-ZIAGYGMSSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](CC)[C@@H]2C1 ZINC001074314959 936735970 /nfs/dbraw/zinc/73/59/70/936735970.db2.gz NNXKWUCLFXDCBR-ZIAGYGMSSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CCC1(S(=O)(=O)N2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC001190805348 922219675 /nfs/dbraw/zinc/21/96/75/922219675.db2.gz ICOFVRIWUHDYDY-GFCCVEGCSA-N 1 2 272.414 1.451 20 30 CDEDLO C=CCC1(S(=O)(=O)N2CC[N@H+](CC)C[C@H]2C)CC1 ZINC001190805348 922219686 /nfs/dbraw/zinc/21/96/86/922219686.db2.gz ICOFVRIWUHDYDY-GFCCVEGCSA-N 1 2 272.414 1.451 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CCOC2)C1 ZINC001033543341 922260271 /nfs/dbraw/zinc/26/02/71/922260271.db2.gz KJXVSPXTENEPJZ-GXTWGEPZSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CCOC2)C1 ZINC001033543341 922260282 /nfs/dbraw/zinc/26/02/82/922260282.db2.gz KJXVSPXTENEPJZ-GXTWGEPZSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccn(C)n2)C1 ZINC001034044322 922462199 /nfs/dbraw/zinc/46/21/99/922462199.db2.gz JKARBUAIYPQFQJ-GFCCVEGCSA-N 1 2 296.802 1.709 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn(C)n2)C1 ZINC001034044322 922462207 /nfs/dbraw/zinc/46/22/07/922462207.db2.gz JKARBUAIYPQFQJ-GFCCVEGCSA-N 1 2 296.802 1.709 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cncnc2)C1 ZINC001034175800 922521791 /nfs/dbraw/zinc/52/17/91/922521791.db2.gz 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922981757 /nfs/dbraw/zinc/98/17/57/922981757.db2.gz ZHGBAJSBCGKEED-CQSZACIVSA-N 1 2 290.363 1.350 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2c(C)coc2C)C1 ZINC001035363853 922981768 /nfs/dbraw/zinc/98/17/68/922981768.db2.gz ZHGBAJSBCGKEED-CQSZACIVSA-N 1 2 290.363 1.350 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccn3ccccc23)C1 ZINC001035441547 922986238 /nfs/dbraw/zinc/98/62/38/922986238.db2.gz BTVCBSWQTCBPEV-AWEZNQCLSA-N 1 2 299.374 1.556 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccn3ccccc23)C1 ZINC001035441547 922986244 /nfs/dbraw/zinc/98/62/44/922986244.db2.gz BTVCBSWQTCBPEV-AWEZNQCLSA-N 1 2 299.374 1.556 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2CC3(CCC3)C2)C1 ZINC001035475801 922986902 /nfs/dbraw/zinc/98/69/02/922986902.db2.gz SUKZGVGXGWAEIG-CQSZACIVSA-N 1 2 278.396 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C2CC3(CCC3)C2)C1 ZINC001035475801 922986911 /nfs/dbraw/zinc/98/69/11/922986911.db2.gz SUKZGVGXGWAEIG-CQSZACIVSA-N 1 2 278.396 1.570 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001035488994 922991399 /nfs/dbraw/zinc/99/13/99/922991399.db2.gz QFCXDUUMFYBERE-STQMWFEESA-N 1 2 266.385 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001035488994 922991405 /nfs/dbraw/zinc/99/14/05/922991405.db2.gz QFCXDUUMFYBERE-STQMWFEESA-N 1 2 266.385 1.426 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)/C=C(\C)C2CC2)[C@@H](O)C1 ZINC001099715847 936802694 /nfs/dbraw/zinc/80/26/94/936802694.db2.gz LQQCOAPDXUGDGA-MUNSZCJHSA-N 1 2 298.814 1.647 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)/C=C(\C)C2CC2)[C@@H](O)C1 ZINC001099715847 936802696 /nfs/dbraw/zinc/80/26/96/936802696.db2.gz LQQCOAPDXUGDGA-MUNSZCJHSA-N 1 2 298.814 1.647 20 30 CDEDLO C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)Nc1ccc(C#N)cn1 ZINC001099714086 936802951 /nfs/dbraw/zinc/80/29/51/936802951.db2.gz YZGRGWZITBZYKQ-NSHDSACASA-N 1 2 298.350 1.226 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCCCC(=O)C2)C1 ZINC000923560601 923932383 /nfs/dbraw/zinc/93/23/83/923932383.db2.gz YRAATBGFRZTAFM-GJZGRUSLSA-N 1 2 290.407 1.740 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCCCC(=O)C2)C1 ZINC000923560601 923932392 /nfs/dbraw/zinc/93/23/92/923932392.db2.gz YRAATBGFRZTAFM-GJZGRUSLSA-N 1 2 290.407 1.740 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC000923574191 923954639 /nfs/dbraw/zinc/95/46/39/923954639.db2.gz FSDATGLQCCRFHG-LBPRGKRZSA-N 1 2 275.352 1.625 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC000923574191 923954653 /nfs/dbraw/zinc/95/46/53/923954653.db2.gz FSDATGLQCCRFHG-LBPRGKRZSA-N 1 2 275.352 1.625 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)o2)C1 ZINC000923590429 923959565 /nfs/dbraw/zinc/95/95/65/923959565.db2.gz WKMJXZWVAWQVMA-SNVBAGLBSA-N 1 2 266.728 1.760 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)o2)C1 ZINC000923590429 923959574 /nfs/dbraw/zinc/95/95/74/923959574.db2.gz WKMJXZWVAWQVMA-SNVBAGLBSA-N 1 2 266.728 1.760 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1nc[nH]n1 ZINC001491231270 936881879 /nfs/dbraw/zinc/88/18/79/936881879.db2.gz SFPMUFJKTGYJQA-NSHDSACASA-N 1 2 297.790 1.070 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)Cc1nc[nH]n1 ZINC001491231270 936881882 /nfs/dbraw/zinc/88/18/82/936881882.db2.gz SFPMUFJKTGYJQA-NSHDSACASA-N 1 2 297.790 1.070 20 30 CDEDLO C#CC[C@H]([NH2+]C1CCC2(CCOCC2)CC1)C(=O)OC ZINC000839168428 936907570 /nfs/dbraw/zinc/90/75/70/936907570.db2.gz KPVUANZHPGXYKV-AWEZNQCLSA-N 1 2 279.380 1.880 20 30 CDEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2ccoc2C)CC1 ZINC001194762256 924345678 /nfs/dbraw/zinc/34/56/78/924345678.db2.gz SRMNIXJAXRFDTD-UHFFFAOYSA-N 1 2 290.363 1.386 20 30 CDEDLO COCC#CC[N@H+]1CCCN(C(=O)c2ccoc2C)CC1 ZINC001194762256 924345683 /nfs/dbraw/zinc/34/56/83/924345683.db2.gz SRMNIXJAXRFDTD-UHFFFAOYSA-N 1 2 290.363 1.386 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C)[C@H](OC)C1 ZINC001081301574 924733915 /nfs/dbraw/zinc/73/39/15/924733915.db2.gz VHIOLPGEICNEEA-HUUCEWRRSA-N 1 2 272.348 1.057 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2C)[C@H](OC)C1 ZINC001081301574 924733921 /nfs/dbraw/zinc/73/39/21/924733921.db2.gz VHIOLPGEICNEEA-HUUCEWRRSA-N 1 2 272.348 1.057 20 30 CDEDLO C=C(C)CCC(=O)N1CCC[N@@H+](CC(=O)NC(C)C)CC1 ZINC001196010557 924783584 /nfs/dbraw/zinc/78/35/84/924783584.db2.gz QGOJTZGEAXATCE-UHFFFAOYSA-N 1 2 295.427 1.402 20 30 CDEDLO C=C(C)CCC(=O)N1CCC[N@H+](CC(=O)NC(C)C)CC1 ZINC001196010557 924783586 /nfs/dbraw/zinc/78/35/86/924783586.db2.gz QGOJTZGEAXATCE-UHFFFAOYSA-N 1 2 295.427 1.402 20 30 CDEDLO C#CCCCNc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000840268352 936945917 /nfs/dbraw/zinc/94/59/17/936945917.db2.gz LCRXMXJNKWKSJP-QWHCGFSZSA-N 1 2 274.368 1.509 20 30 CDEDLO C#CCCCNc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000840268352 936945920 /nfs/dbraw/zinc/94/59/20/936945920.db2.gz LCRXMXJNKWKSJP-QWHCGFSZSA-N 1 2 274.368 1.509 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2occc2C(C)C)[C@H](OC)C1 ZINC001082057983 924854080 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292.404 1.926 20 30 CDEDLO C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2[nH]nnc2c1 ZINC001085966310 926549735 /nfs/dbraw/zinc/54/97/35/926549735.db2.gz HDGUFXQGFMBMOE-CYBMUJFWSA-N 1 2 299.378 1.680 20 30 CDEDLO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2[nH]nnc2c1 ZINC001085966310 926549743 /nfs/dbraw/zinc/54/97/43/926549743.db2.gz HDGUFXQGFMBMOE-CYBMUJFWSA-N 1 2 299.378 1.680 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001085989169 926575009 /nfs/dbraw/zinc/57/50/09/926575009.db2.gz KBSILKFALZCAFU-GFCCVEGCSA-N 1 2 299.330 1.313 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001085989169 926575015 /nfs/dbraw/zinc/57/50/15/926575015.db2.gz KBSILKFALZCAFU-GFCCVEGCSA-N 1 2 299.330 1.313 20 30 CDEDLO C=CCO[C@@H](C)C(=O)NC[C@H](CC)Nc1cc[nH+]c(C)n1 ZINC001103122190 937123366 /nfs/dbraw/zinc/12/33/66/937123366.db2.gz DFFREDIIEDDKMI-AAEUAGOBSA-N 1 2 292.383 1.683 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ncccc2F)C1 ZINC001108301350 927362177 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C=CCCNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000852486715 927798104 /nfs/dbraw/zinc/79/81/04/927798104.db2.gz CYZGTHLIZCRDGM-GFCCVEGCSA-N 1 2 262.357 1.885 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cc1cn(Cc2ccccc2)nn1 ZINC000852748501 927857088 /nfs/dbraw/zinc/85/70/88/927857088.db2.gz BKNRECTXNAZMRD-UHFFFAOYSA-N 1 2 298.390 1.798 20 30 CDEDLO C#CCC[N@H+](CCOC)Cc1cn(Cc2ccccc2)nn1 ZINC000852748501 927857095 /nfs/dbraw/zinc/85/70/95/927857095.db2.gz BKNRECTXNAZMRD-UHFFFAOYSA-N 1 2 298.390 1.798 20 30 CDEDLO C#Cc1cccnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000853105832 927949708 /nfs/dbraw/zinc/94/97/08/927949708.db2.gz XCGYXGHEYKOLGK-UHFFFAOYSA-N 1 2 282.347 1.682 20 30 CDEDLO C=CC[N@H+](CN1C[C@@]2(CCOC2)CC1=O)[C@H](C)COC ZINC000853534617 928038342 /nfs/dbraw/zinc/03/83/42/928038342.db2.gz KTYNPKRNQBELOH-UKRRQHHQSA-N 1 2 282.384 1.106 20 30 CDEDLO C=CC[N@@H+](CN1C[C@@]2(CCOC2)CC1=O)[C@H](C)COC ZINC000853534617 928038356 /nfs/dbraw/zinc/03/83/56/928038356.db2.gz KTYNPKRNQBELOH-UKRRQHHQSA-N 1 2 282.384 1.106 20 30 CDEDLO C=CC[C@H]1CCCN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000853607344 928057007 /nfs/dbraw/zinc/05/70/07/928057007.db2.gz XSARIQKPYKIVAR-GJZGRUSLSA-N 1 2 295.427 1.705 20 30 CDEDLO C=CC[C@H]1CCCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000853607344 928057018 /nfs/dbraw/zinc/05/70/18/928057018.db2.gz XSARIQKPYKIVAR-GJZGRUSLSA-N 1 2 295.427 1.705 20 30 CDEDLO C=CC[C@H]1CCCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000853607343 928057752 /nfs/dbraw/zinc/05/77/52/928057752.db2.gz XSARIQKPYKIVAR-CABCVRRESA-N 1 2 295.427 1.705 20 30 CDEDLO C=CC[C@H]1CCCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000853607343 928057759 /nfs/dbraw/zinc/05/77/59/928057759.db2.gz XSARIQKPYKIVAR-CABCVRRESA-N 1 2 295.427 1.705 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)C(C)C ZINC000854068732 928147413 /nfs/dbraw/zinc/14/74/13/928147413.db2.gz LPLQUCRHVZHAEY-IHRRRGAJSA-N 1 2 281.400 1.053 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C)C(C)C ZINC000854068732 928147416 /nfs/dbraw/zinc/14/74/16/928147416.db2.gz LPLQUCRHVZHAEY-IHRRRGAJSA-N 1 2 281.400 1.053 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)OC)C2 ZINC001109034310 928778865 /nfs/dbraw/zinc/77/88/65/928778865.db2.gz QQNNCPMWIYHVOZ-MROQNXINSA-N 1 2 286.803 1.885 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)OC)C2 ZINC001109034310 928778869 /nfs/dbraw/zinc/77/88/69/928778869.db2.gz QQNNCPMWIYHVOZ-MROQNXINSA-N 1 2 286.803 1.885 20 30 CDEDLO C#CC[C@@H](CCOC)Nc1cc(NC2CC2)[nH+]cn1 ZINC000858858838 928929611 /nfs/dbraw/zinc/92/96/11/928929611.db2.gz SDJLFDLTAXZRKV-NSHDSACASA-N 1 2 260.341 1.891 20 30 CDEDLO C#CC[C@@H](CCOC)Nc1cc(NC2CC2)nc[nH+]1 ZINC000858858838 928929618 /nfs/dbraw/zinc/92/96/18/928929618.db2.gz SDJLFDLTAXZRKV-NSHDSACASA-N 1 2 260.341 1.891 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(COC)CC1)C2 ZINC001109518943 928964378 /nfs/dbraw/zinc/96/43/78/928964378.db2.gz ITXBHDUVERNXQN-AGIUHOORSA-N 1 2 298.814 1.887 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(COC)CC1)C2 ZINC001109518943 928964391 /nfs/dbraw/zinc/96/43/91/928964391.db2.gz ITXBHDUVERNXQN-AGIUHOORSA-N 1 2 298.814 1.887 20 30 CDEDLO N#Cc1cc(F)ccc1CN1CCc2[nH+]c[nH]c2C1 ZINC000859308041 928998633 /nfs/dbraw/zinc/99/86/33/928998633.db2.gz DLSDHWPZOUHJHS-UHFFFAOYSA-N 1 2 256.284 1.979 20 30 CDEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(OCC(N)=O)cc2)C1 ZINC000784449801 937300929 /nfs/dbraw/zinc/30/09/29/937300929.db2.gz HDAHREXTNBRVPC-INIZCTEOSA-N 1 2 287.363 1.676 20 30 CDEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(OCC(N)=O)cc2)C1 ZINC000784449801 937300933 /nfs/dbraw/zinc/30/09/33/937300933.db2.gz HDAHREXTNBRVPC-INIZCTEOSA-N 1 2 287.363 1.676 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001151970741 937323098 /nfs/dbraw/zinc/32/30/98/937323098.db2.gz RLXUKIHLOPAGFJ-GXTWGEPZSA-N 1 2 294.395 1.485 20 30 CDEDLO C#CC[C@@H]([NH2+]Cc1nnc2n1CCOC2)c1ccccc1 ZINC000797978093 937343268 /nfs/dbraw/zinc/34/32/68/937343268.db2.gz MHSZXEUUHVXKQX-CQSZACIVSA-N 1 2 282.347 1.663 20 30 CDEDLO C#CC[C@@H](CCOC)NC(=O)CCCn1cc[nH+]c1 ZINC000863787719 929608056 /nfs/dbraw/zinc/60/80/56/929608056.db2.gz VQYNCTVQEWYNJV-ZDUSSCGKSA-N 1 2 263.341 1.208 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCC2CCOCC2)nn1 ZINC000881290761 929807847 /nfs/dbraw/zinc/80/78/47/929807847.db2.gz SNRPGJHXMBVFPN-UHFFFAOYSA-N 1 2 262.357 1.208 20 30 CDEDLO C=C[C@@](C)(O)c1cn(Cc2cc[nH+]c(N(C)C)c2)nn1 ZINC000881365976 929826960 /nfs/dbraw/zinc/82/69/60/929826960.db2.gz QPWCVVLUIZQNOH-CQSZACIVSA-N 1 2 273.340 1.181 20 30 CDEDLO COC(=O)c1cc(C=NNc2cc[nH+]c3ccccc23)on1 ZINC000814841854 929860270 /nfs/dbraw/zinc/86/02/70/929860270.db2.gz XRTQEYUVEWKLEZ-UHFFFAOYSA-N 1 2 296.286 1.877 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)OCCn1cc[nH+]c1 ZINC000815337470 929993931 /nfs/dbraw/zinc/99/39/31/929993931.db2.gz NOPSJAOGYHABQP-UHFFFAOYSA-N 1 2 256.265 1.315 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)C[C@H](C)CC ZINC000884167790 930466293 /nfs/dbraw/zinc/46/62/93/930466293.db2.gz OGQLNLFZGJRCCF-NEPJUHHUSA-N 1 2 270.373 1.328 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000134041579 930494054 /nfs/dbraw/zinc/49/40/54/930494054.db2.gz STUNGUKGFPNUNS-UHFFFAOYSA-N 1 2 288.347 1.906 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCCC2(C1)OCCO2 ZINC000134041579 930494063 /nfs/dbraw/zinc/49/40/63/930494063.db2.gz STUNGUKGFPNUNS-UHFFFAOYSA-N 1 2 288.347 1.906 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1csc(C)c1C ZINC000884454545 930569837 /nfs/dbraw/zinc/56/98/37/930569837.db2.gz QQVRXVMDARXZSN-LBPRGKRZSA-N 1 2 296.392 1.428 20 30 CDEDLO C=CC[C@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)C(=O)OC ZINC000884566795 930597538 /nfs/dbraw/zinc/59/75/38/930597538.db2.gz TYLTVXNFSODLDJ-MNOVXSKESA-N 1 2 266.297 1.495 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccc(OC)c(C#N)c2)nn1 ZINC000818224904 930687595 /nfs/dbraw/zinc/68/75/95/930687595.db2.gz SQTBLIIJJNMXGF-UHFFFAOYSA-N 1 2 283.335 1.634 20 30 CDEDLO COc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1Cl ZINC000819394221 930796215 /nfs/dbraw/zinc/79/62/15/930796215.db2.gz SWEUKWCKTVYHCH-LBPRGKRZSA-N 1 2 297.786 1.967 20 30 CDEDLO COc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1Cl ZINC000819394221 930796224 /nfs/dbraw/zinc/79/62/24/930796224.db2.gz SWEUKWCKTVYHCH-LBPRGKRZSA-N 1 2 297.786 1.967 20 30 CDEDLO COc1c(F)cc(F)cc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000819460146 930812206 /nfs/dbraw/zinc/81/22/06/930812206.db2.gz FQFXUAUDZMHXLA-LLVKDONJSA-N 1 2 299.321 1.592 20 30 CDEDLO COc1c(F)cc(F)cc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000819460146 930812211 /nfs/dbraw/zinc/81/22/11/930812211.db2.gz FQFXUAUDZMHXLA-LLVKDONJSA-N 1 2 299.321 1.592 20 30 CDEDLO Cc1noc([C@@H](C)[N@H+](C)C[C@H](O)CC2(C#N)CCC2)n1 ZINC000886270638 930845310 /nfs/dbraw/zinc/84/53/10/930845310.db2.gz IYWTXAWNXATZQK-ZYHUDNBSSA-N 1 2 278.356 1.816 20 30 CDEDLO Cc1noc([C@@H](C)[N@@H+](C)C[C@H](O)CC2(C#N)CCC2)n1 ZINC000886270638 930845315 /nfs/dbraw/zinc/84/53/15/930845315.db2.gz IYWTXAWNXATZQK-ZYHUDNBSSA-N 1 2 278.356 1.816 20 30 CDEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886690546 930940532 /nfs/dbraw/zinc/94/05/32/930940532.db2.gz XSDVDHZPOQMKCC-OLZOCXBDSA-N 1 2 275.352 1.774 20 30 CDEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886690546 930940538 /nfs/dbraw/zinc/94/05/38/930940538.db2.gz XSDVDHZPOQMKCC-OLZOCXBDSA-N 1 2 275.352 1.774 20 30 CDEDLO C#CCC1(NC(=O)[C@H](CC)[N@@H+]2CCO[C@H](CC)C2)CCC1 ZINC000886798232 930960924 /nfs/dbraw/zinc/96/09/24/930960924.db2.gz SWEOZYUTROGPPB-CABCVRRESA-N 1 2 292.423 1.938 20 30 CDEDLO C#CCC1(NC(=O)[C@H](CC)[N@H+]2CCO[C@H](CC)C2)CCC1 ZINC000886798232 930960930 /nfs/dbraw/zinc/96/09/30/930960930.db2.gz SWEOZYUTROGPPB-CABCVRRESA-N 1 2 292.423 1.938 20 30 CDEDLO C#CCC[C@@H](O)CNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000822680976 931191616 /nfs/dbraw/zinc/19/16/16/931191616.db2.gz WZSXEMUAPRAUAM-CYBMUJFWSA-N 1 2 299.330 1.082 20 30 CDEDLO Cc1nc(N2C[C@@H](C)[C@H](NC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001090705542 931345097 /nfs/dbraw/zinc/34/50/97/931345097.db2.gz OEOXVNJGXBHOLG-BXUZGUMPSA-N 1 2 284.363 1.139 20 30 CDEDLO C[N@H+](C1COC1)C1CN(Cc2c(Cl)cccc2C#N)C1 ZINC001143726136 931529458 /nfs/dbraw/zinc/52/94/58/931529458.db2.gz HIROMWCIXKMNPK-UHFFFAOYSA-N 1 2 291.782 1.726 20 30 CDEDLO C[N@@H+](C1COC1)C1CN(Cc2c(Cl)cccc2C#N)C1 ZINC001143726136 931529461 /nfs/dbraw/zinc/52/94/61/931529461.db2.gz HIROMWCIXKMNPK-UHFFFAOYSA-N 1 2 291.782 1.726 20 30 CDEDLO C[C@@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccn1)n1cc[nH+]c1 ZINC000845444784 931820459 /nfs/dbraw/zinc/82/04/59/931820459.db2.gz AKHZDIBFKIBUHW-RYUDHWBXSA-N 1 2 297.318 1.577 20 30 CDEDLO C=C[C@@H](C)ONC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000845639040 931866513 /nfs/dbraw/zinc/86/65/13/931866513.db2.gz NESGVTZITDYQKV-GFCCVEGCSA-N 1 2 276.340 1.419 20 30 CDEDLO N#Cc1cnc(C(=O)NCCc2[nH]cc[nH+]2)c(Cl)c1 ZINC001411804611 932040415 /nfs/dbraw/zinc/04/04/15/932040415.db2.gz VOEJGKJOUPNTSR-UHFFFAOYSA-N 1 2 275.699 1.302 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C=C(C)C)C1 ZINC001149115896 932207139 /nfs/dbraw/zinc/20/71/39/932207139.db2.gz CVVSFWRBUSLJPE-ZDUSSCGKSA-N 1 2 286.803 1.912 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C=C(C)C)C1 ZINC001149115896 932207143 /nfs/dbraw/zinc/20/71/43/932207143.db2.gz CVVSFWRBUSLJPE-ZDUSSCGKSA-N 1 2 286.803 1.912 20 30 CDEDLO CC[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1cccc(C#N)c1O ZINC000926319259 932981348 /nfs/dbraw/zinc/98/13/48/932981348.db2.gz AJQAQARZVMMBLJ-HZUKXOBISA-N 1 2 290.363 1.844 20 30 CDEDLO CC[C@H](C(=O)N1CCC[C@H](C#N)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000928218568 933127733 /nfs/dbraw/zinc/12/77/33/933127733.db2.gz WOGGGCMMBFRRRM-RBSFLKMASA-N 1 2 293.411 1.638 20 30 CDEDLO CC[C@H](C(=O)N1CCC[C@H](C#N)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000928218568 933127737 /nfs/dbraw/zinc/12/77/37/933127737.db2.gz WOGGGCMMBFRRRM-RBSFLKMASA-N 1 2 293.411 1.638 20 30 CDEDLO Cn1cc(C[N@H+](C)C[C@H](O)CC#N)c(C(F)(F)F)n1 ZINC000930070793 933309049 /nfs/dbraw/zinc/30/90/49/933309049.db2.gz XCVHNKNCSXNDPX-SECBINFHSA-N 1 2 276.262 1.145 20 30 CDEDLO Cn1cc(C[N@@H+](C)C[C@H](O)CC#N)c(C(F)(F)F)n1 ZINC000930070793 933309057 /nfs/dbraw/zinc/30/90/57/933309057.db2.gz XCVHNKNCSXNDPX-SECBINFHSA-N 1 2 276.262 1.145 20 30 CDEDLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000930831768 933456195 /nfs/dbraw/zinc/45/61/95/933456195.db2.gz RJGDGVFXENFLQS-RWMBFGLXSA-N 1 2 287.363 1.686 20 30 CDEDLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000930831768 933456200 /nfs/dbraw/zinc/45/62/00/933456200.db2.gz RJGDGVFXENFLQS-RWMBFGLXSA-N 1 2 287.363 1.686 20 30 CDEDLO CC1(C)C[C@](C)([NH2+]CCCSCC#N)C(=O)O1 ZINC000930874376 933466658 /nfs/dbraw/zinc/46/66/58/933466658.db2.gz JTWHCQUQZVPFLD-LBPRGKRZSA-N 1 2 256.371 1.707 20 30 CDEDLO N#CC1(NC(=O)C[NH+]2CCC(c3ncco3)CC2)CCC1 ZINC000931443752 933563096 /nfs/dbraw/zinc/56/30/96/933563096.db2.gz CALYHIYCWUOAIB-UHFFFAOYSA-N 1 2 288.351 1.416 20 30 CDEDLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000933221350 933798415 /nfs/dbraw/zinc/79/84/15/933798415.db2.gz GJQGLXQSCCDDCU-CQSZACIVSA-N 1 2 275.327 1.798 20 30 CDEDLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000933221350 933798423 /nfs/dbraw/zinc/79/84/23/933798423.db2.gz GJQGLXQSCCDDCU-CQSZACIVSA-N 1 2 275.327 1.798 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[N@H+]2CCOCC2(C)C)cc1 ZINC001119454976 937721755 /nfs/dbraw/zinc/72/17/55/937721755.db2.gz CXERDKILGHTPJK-UHFFFAOYSA-N 1 2 286.375 1.509 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2CCOCC2(C)C)cc1 ZINC001119454976 937721757 /nfs/dbraw/zinc/72/17/57/937721757.db2.gz CXERDKILGHTPJK-UHFFFAOYSA-N 1 2 286.375 1.509 20 30 CDEDLO Cc1[nH+]c[nH]c1CN=Nc1cc(Cl)nc(N)n1 ZINC000778550034 934192443 /nfs/dbraw/zinc/19/24/43/934192443.db2.gz IJJFCLZOLDOYTO-UHFFFAOYSA-N 1 2 251.681 1.190 20 30 CDEDLO CC1CC[NH+](CC(=O)Nc2cc(C#N)ccc2O)CC1 ZINC000155863488 934239329 /nfs/dbraw/zinc/23/93/29/934239329.db2.gz ACWFAFRRNYREBI-UHFFFAOYSA-N 1 2 273.336 1.934 20 30 CDEDLO C[C@H]1C[NH+]=C(NN=Cc2cccc(Cl)c2O)N1 ZINC000779797861 934715889 /nfs/dbraw/zinc/71/58/89/934715889.db2.gz KKPMQJDLLLHJJI-ZETCQYMHSA-N 1 2 252.705 1.317 20 30 CDEDLO Cc1noc(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)n1 ZINC000038034822 934845412 /nfs/dbraw/zinc/84/54/12/934845412.db2.gz GMISMZYZUCHDAV-LBPRGKRZSA-N 1 2 258.281 1.073 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C(\C)C1CC1 ZINC001017380711 935032513 /nfs/dbraw/zinc/03/25/13/935032513.db2.gz YXWSDTSXTOTRSS-DXFOQMOBSA-N 1 2 258.365 1.651 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C(\C)C1CC1 ZINC001017380711 935032521 /nfs/dbraw/zinc/03/25/21/935032521.db2.gz YXWSDTSXTOTRSS-DXFOQMOBSA-N 1 2 258.365 1.651 20 30 CDEDLO C=C[C@H](O)C[NH2+][C@H](C(=O)OC(C)(C)C)[C@@H](C)CC ZINC001253603605 935339718 /nfs/dbraw/zinc/33/97/18/935339718.db2.gz YSHTWIAITUNTEH-SRVKXCTJSA-N 1 2 257.374 1.879 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)[C@@H](C)CO2 ZINC001038621765 935413611 /nfs/dbraw/zinc/41/36/11/935413611.db2.gz QBKVTLRLLQMKFI-GXTWGEPZSA-N 1 2 284.359 1.620 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)[C@@H](C)CO2 ZINC001038621765 935413616 /nfs/dbraw/zinc/41/36/16/935413616.db2.gz QBKVTLRLLQMKFI-GXTWGEPZSA-N 1 2 284.359 1.620 20 30 CDEDLO C#CCC[N@H+]1CCC[C@H](NC(=O)c2n[nH]c3ccccc32)C1 ZINC001009383117 935424932 /nfs/dbraw/zinc/42/49/32/935424932.db2.gz FLGLFKQMBWHTQZ-ZDUSSCGKSA-N 1 2 296.374 1.780 20 30 CDEDLO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2n[nH]c3ccccc32)C1 ZINC001009383117 935424935 /nfs/dbraw/zinc/42/49/35/935424935.db2.gz FLGLFKQMBWHTQZ-ZDUSSCGKSA-N 1 2 296.374 1.780 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2nc(C(C)(C)C)cs2)C1 ZINC001014812513 935551062 /nfs/dbraw/zinc/55/10/62/935551062.db2.gz SAMHAPZSHYDJOW-NSHDSACASA-N 1 2 291.420 1.878 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2nc(C(C)(C)C)cs2)C1 ZINC001014812513 935551068 /nfs/dbraw/zinc/55/10/68/935551068.db2.gz SAMHAPZSHYDJOW-NSHDSACASA-N 1 2 291.420 1.878 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)n[nH]c2C)C1 ZINC001015860914 935589567 /nfs/dbraw/zinc/58/95/67/935589567.db2.gz SWEXCKCMGSCQFI-NSHDSACASA-N 1 2 282.775 1.583 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)n[nH]c2C)C1 ZINC001015860914 935589570 /nfs/dbraw/zinc/58/95/70/935589570.db2.gz SWEXCKCMGSCQFI-NSHDSACASA-N 1 2 282.775 1.583 20 30 CDEDLO C#CC[NH+]1CCC2(C[C@@H]2NC(=O)c2[nH]nc(C)c2C)CC1 ZINC001016543493 935618531 /nfs/dbraw/zinc/61/85/31/935618531.db2.gz QZINUIKHALSPAH-ZDUSSCGKSA-N 1 2 286.379 1.244 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](CC)O1 ZINC001017594150 935643301 /nfs/dbraw/zinc/64/33/01/935643301.db2.gz OUTJWDSYAFXYBG-LJISPDSOSA-N 1 2 276.380 1.252 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](CC)O1 ZINC001017594150 935643302 /nfs/dbraw/zinc/64/33/02/935643302.db2.gz OUTJWDSYAFXYBG-LJISPDSOSA-N 1 2 276.380 1.252 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnn1C(C)C ZINC001017584982 935643734 /nfs/dbraw/zinc/64/37/34/935643734.db2.gz SXJMKULZKDTUDW-OKILXGFUSA-N 1 2 286.379 1.386 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnn1C(C)C ZINC001017584982 935643737 /nfs/dbraw/zinc/64/37/37/935643737.db2.gz SXJMKULZKDTUDW-OKILXGFUSA-N 1 2 286.379 1.386 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(CCC)c1 ZINC001017638170 935645273 /nfs/dbraw/zinc/64/52/73/935645273.db2.gz OXYUQKIMMVHHMM-CALCHBBNSA-N 1 2 297.402 1.956 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(CCC)c1 ZINC001017638170 935645275 /nfs/dbraw/zinc/64/52/75/935645275.db2.gz OXYUQKIMMVHHMM-CALCHBBNSA-N 1 2 297.402 1.956 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(c2cc(C)no2)CC1 ZINC001017847838 935651431 /nfs/dbraw/zinc/65/14/31/935651431.db2.gz USHMDWZEQZQQTB-OKILXGFUSA-N 1 2 299.374 1.323 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(c2cc(C)no2)CC1 ZINC001017847838 935651433 /nfs/dbraw/zinc/65/14/33/935651433.db2.gz USHMDWZEQZQQTB-OKILXGFUSA-N 1 2 299.374 1.323 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(C)c1 ZINC001017866614 935652472 /nfs/dbraw/zinc/65/24/72/935652472.db2.gz FSZSEWJPOHQWJS-CALCHBBNSA-N 1 2 282.387 1.846 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(C)c1 ZINC001017866614 935652478 /nfs/dbraw/zinc/65/24/78/935652478.db2.gz FSZSEWJPOHQWJS-CALCHBBNSA-N 1 2 282.387 1.846 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(C)c1 ZINC001018080538 935659532 /nfs/dbraw/zinc/65/95/32/935659532.db2.gz DEHGYIMGKZWIHK-IYBDPMFKSA-N 1 2 283.375 1.702 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(C)c1 ZINC001018080538 935659534 /nfs/dbraw/zinc/65/95/34/935659534.db2.gz DEHGYIMGKZWIHK-IYBDPMFKSA-N 1 2 283.375 1.702 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccnc2)c1 ZINC001038153319 935736023 /nfs/dbraw/zinc/73/60/23/935736023.db2.gz OSGWBSKTVBGBJS-AWEZNQCLSA-N 1 2 295.346 1.286 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccnc2)c1 ZINC001038153319 935736025 /nfs/dbraw/zinc/73/60/25/935736025.db2.gz OSGWBSKTVBGBJS-AWEZNQCLSA-N 1 2 295.346 1.286 20 30 CDEDLO N#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2C/C=C/Cl)[nH]1 ZINC001038172542 935736766 /nfs/dbraw/zinc/73/67/66/935736766.db2.gz IMVCKIZYCIIOOG-MOWVOVBGSA-N 1 2 278.743 1.443 20 30 CDEDLO N#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C/C=C/Cl)[nH]1 ZINC001038172542 935736767 /nfs/dbraw/zinc/73/67/67/935736767.db2.gz IMVCKIZYCIIOOG-MOWVOVBGSA-N 1 2 278.743 1.443 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C2CCC2)cnn1C ZINC001038275476 935739906 /nfs/dbraw/zinc/73/99/06/935739906.db2.gz IGMFFMCKVJIZJL-ZDUSSCGKSA-N 1 2 286.379 1.125 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C2CCC2)cnn1C ZINC001038275476 935739908 /nfs/dbraw/zinc/73/99/08/935739908.db2.gz IGMFFMCKVJIZJL-ZDUSSCGKSA-N 1 2 286.379 1.125 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(CC)o1 ZINC001038413282 935743426 /nfs/dbraw/zinc/74/34/26/935743426.db2.gz RSRIMPMFAKMXIN-GFCCVEGCSA-N 1 2 260.337 1.669 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(CC)o1 ZINC001038413282 935743427 /nfs/dbraw/zinc/74/34/27/935743427.db2.gz RSRIMPMFAKMXIN-GFCCVEGCSA-N 1 2 260.337 1.669 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc([C@H]2CCOC2)c1 ZINC001038431079 935744795 /nfs/dbraw/zinc/74/47/95/935744795.db2.gz OVBIJXVFOUTIKZ-DLBZAZTESA-N 1 2 298.386 1.628 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc([C@H]2CCOC2)c1 ZINC001038431079 935744798 /nfs/dbraw/zinc/74/47/98/935744798.db2.gz OVBIJXVFOUTIKZ-DLBZAZTESA-N 1 2 298.386 1.628 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2ccccn12 ZINC001038436329 935745171 /nfs/dbraw/zinc/74/51/71/935745171.db2.gz FTIVSEJZMFLTBK-ZDUSSCGKSA-N 1 2 282.347 1.162 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2ccccn12 ZINC001038436329 935745172 /nfs/dbraw/zinc/74/51/72/935745172.db2.gz FTIVSEJZMFLTBK-ZDUSSCGKSA-N 1 2 282.347 1.162 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2cnccc2o1 ZINC001038466437 935746591 /nfs/dbraw/zinc/74/65/91/935746591.db2.gz RNOMRHXUGDOKGK-GFCCVEGCSA-N 1 2 271.320 1.818 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2cnccc2o1 ZINC001038466437 935746594 /nfs/dbraw/zinc/74/65/94/935746594.db2.gz RNOMRHXUGDOKGK-GFCCVEGCSA-N 1 2 271.320 1.818 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)ccc1OC ZINC001038489927 935747286 /nfs/dbraw/zinc/74/72/86/935747286.db2.gz WBWSSDVIDOXERN-ZDUSSCGKSA-N 1 2 272.348 1.441 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)ccc1OC ZINC001038489927 935747288 /nfs/dbraw/zinc/74/72/88/935747288.db2.gz WBWSSDVIDOXERN-ZDUSSCGKSA-N 1 2 272.348 1.441 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)noc1C1CC1 ZINC001038530126 935747871 /nfs/dbraw/zinc/74/78/71/935747871.db2.gz WFBCMIFYEPHFLC-LBPRGKRZSA-N 1 2 275.352 1.851 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)noc1C1CC1 ZINC001038530126 935747873 /nfs/dbraw/zinc/74/78/73/935747873.db2.gz WFBCMIFYEPHFLC-LBPRGKRZSA-N 1 2 275.352 1.851 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(C(F)F)c1 ZINC001038642977 935751805 /nfs/dbraw/zinc/75/18/05/935751805.db2.gz GMOYNLARUFBLCJ-SNVBAGLBSA-N 1 2 268.263 1.655 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(C(F)F)c1 ZINC001038642977 935751807 /nfs/dbraw/zinc/75/18/07/935751807.db2.gz GMOYNLARUFBLCJ-SNVBAGLBSA-N 1 2 268.263 1.655 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(CC(C)C)c[nH]1 ZINC001038924890 935762484 /nfs/dbraw/zinc/76/24/84/935762484.db2.gz GZYGUXVLBRTLKJ-AWEZNQCLSA-N 1 2 273.380 1.651 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(CC(C)C)c[nH]1 ZINC001038924890 935762486 /nfs/dbraw/zinc/76/24/86/935762486.db2.gz GZYGUXVLBRTLKJ-AWEZNQCLSA-N 1 2 273.380 1.651 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ncoc1C(C)C ZINC001038897834 935762510 /nfs/dbraw/zinc/76/25/10/935762510.db2.gz FTMYELMMFQADGX-NSHDSACASA-N 1 2 263.341 1.788 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ncoc1C(C)C ZINC001038897834 935762512 /nfs/dbraw/zinc/76/25/12/935762512.db2.gz FTMYELMMFQADGX-NSHDSACASA-N 1 2 263.341 1.788 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)n(CC2CC2)c1C ZINC001038934606 935763061 /nfs/dbraw/zinc/76/30/61/935763061.db2.gz JHJQRQQEEVYHSC-MRXNPFEDSA-N 1 2 299.418 1.952 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)n(CC2CC2)c1C ZINC001038934606 935763062 /nfs/dbraw/zinc/76/30/62/935763062.db2.gz JHJQRQQEEVYHSC-MRXNPFEDSA-N 1 2 299.418 1.952 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC001039002293 935764789 /nfs/dbraw/zinc/76/47/89/935764789.db2.gz YDIKPXHTZVDZKY-CYBMUJFWSA-N 1 2 264.275 1.402 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC001039002293 935764790 /nfs/dbraw/zinc/76/47/90/935764790.db2.gz YDIKPXHTZVDZKY-CYBMUJFWSA-N 1 2 264.275 1.402 20 30 CDEDLO C=CCC[NH+]1CC(N(C)C(=O)c2cc(CC)[nH]n2)C1 ZINC001042491003 935822845 /nfs/dbraw/zinc/82/28/45/935822845.db2.gz QMNDIEITIUNNBB-UHFFFAOYSA-N 1 2 262.357 1.304 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnccc2C)C1 ZINC001042571627 935824634 /nfs/dbraw/zinc/82/46/34/935824634.db2.gz STLNEIMOXHRVJW-UHFFFAOYSA-N 1 2 257.337 1.170 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C)nc(C)c2)C1 ZINC001042796185 935829362 /nfs/dbraw/zinc/82/93/62/935829362.db2.gz GXQBXARHZCENBR-UHFFFAOYSA-N 1 2 271.364 1.478 20 30 CDEDLO CC#CCN1CC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001043092825 935833321 /nfs/dbraw/zinc/83/33/21/935833321.db2.gz ADMMVPCRVDFYCO-UHFFFAOYSA-N 1 2 282.347 1.342 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(N(C)C)nc2)C1 ZINC001043189028 935834890 /nfs/dbraw/zinc/83/48/90/935834890.db2.gz ZCHVAHJOEPHXEW-UHFFFAOYSA-N 1 2 288.395 1.480 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@]23CCO[C@H]2CCCC3)C1 ZINC001043314932 935836954 /nfs/dbraw/zinc/83/69/54/935836954.db2.gz MWKZYXRBPQQIIB-RDJZCZTQSA-N 1 2 290.407 1.502 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2cc3ccccc3[nH]c2=O)C1 ZINC001043501775 935839032 /nfs/dbraw/zinc/83/90/32/935839032.db2.gz QWZGYAQONIFAHD-UHFFFAOYSA-N 1 2 297.358 1.883 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn3cc(C)cnc23)C1 ZINC001043993013 935848372 /nfs/dbraw/zinc/84/83/72/935848372.db2.gz XWELNSQXKZTYCA-UHFFFAOYSA-N 1 2 299.378 1.370 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2CCCCN2C(C)=O)C1 ZINC001044042767 935849400 /nfs/dbraw/zinc/84/94/00/935849400.db2.gz MOJQOWBHTGVIDL-AWEZNQCLSA-N 1 2 293.411 1.106 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnn(CC)c2)C1 ZINC001046199132 935933076 /nfs/dbraw/zinc/93/30/76/935933076.db2.gz BNUSCRLLLFDTED-AWEZNQCLSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnn(CC)c2)C1 ZINC001046199132 935933078 /nfs/dbraw/zinc/93/30/78/935933078.db2.gz BNUSCRLLLFDTED-AWEZNQCLSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cocn2)C1 ZINC001046194914 935933640 /nfs/dbraw/zinc/93/36/40/935933640.db2.gz QOJFREFFLITQFQ-LBPRGKRZSA-N 1 2 269.732 1.621 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cocn2)C1 ZINC001046194914 935933641 /nfs/dbraw/zinc/93/36/41/935933641.db2.gz QOJFREFFLITQFQ-LBPRGKRZSA-N 1 2 269.732 1.621 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2coc(C)n2)C1 ZINC001046255239 935937355 /nfs/dbraw/zinc/93/73/55/935937355.db2.gz PFPTYOZOKNFKCJ-CYBMUJFWSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2coc(C)n2)C1 ZINC001046255239 935937356 /nfs/dbraw/zinc/93/73/56/935937356.db2.gz PFPTYOZOKNFKCJ-CYBMUJFWSA-N 1 2 283.759 1.930 20 30 CDEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)sc2C)C1 ZINC001047448369 936004477 /nfs/dbraw/zinc/00/44/77/936004477.db2.gz PUIKEHDOICMKNH-KBPBESRZSA-N 1 2 292.404 1.115 20 30 CDEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)sc2C)C1 ZINC001047448369 936004480 /nfs/dbraw/zinc/00/44/80/936004480.db2.gz PUIKEHDOICMKNH-KBPBESRZSA-N 1 2 292.404 1.115 20 30 CDEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2Cl)C1 ZINC001047604027 936010545 /nfs/dbraw/zinc/01/05/45/936010545.db2.gz FDEJBVWFHDPGKH-KBPBESRZSA-N 1 2 292.766 1.090 20 30 CDEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2Cl)C1 ZINC001047604027 936010547 /nfs/dbraw/zinc/01/05/47/936010547.db2.gz FDEJBVWFHDPGKH-KBPBESRZSA-N 1 2 292.766 1.090 20 30 CDEDLO C=CCOCC(=O)N1C[C@H](Nc2cc[nH+]c(C)n2)C[C@@H]1C ZINC001123213550 936126879 /nfs/dbraw/zinc/12/68/79/936126879.db2.gz LQOCCSCJEXIKME-WCQYABFASA-N 1 2 290.367 1.389 20 30 CDEDLO C#CCCCC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097174957 936278030 /nfs/dbraw/zinc/27/80/30/936278030.db2.gz ZBSHYPIINRMXCP-BETUJISGSA-N 1 2 272.352 1.648 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(OCC)no1)C2 ZINC001097555670 936309855 /nfs/dbraw/zinc/30/98/55/936309855.db2.gz QJGVKFLRWXDRMB-UTUOFQBUSA-N 1 2 289.335 1.042 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(OCC)no1)C2 ZINC001097555670 936309858 /nfs/dbraw/zinc/30/98/58/936309858.db2.gz QJGVKFLRWXDRMB-UTUOFQBUSA-N 1 2 289.335 1.042 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccn3c(CC)nnc23)CC1 ZINC001156049677 938314437 /nfs/dbraw/zinc/31/44/37/938314437.db2.gz ZZWILQBJKVPOFK-UHFFFAOYSA-N 1 2 299.378 1.236 20 30 CDEDLO CC[N@H+](Cc1ccc(C#N)c(OC)c1)[C@@H](C)C(=O)OC ZINC001238415690 945172871 /nfs/dbraw/zinc/17/28/71/945172871.db2.gz ASKWZRNDXFJBTR-NSHDSACASA-N 1 2 276.336 1.950 20 30 CDEDLO CC[N@@H+](Cc1ccc(C#N)c(OC)c1)[C@@H](C)C(=O)OC ZINC001238415690 945172876 /nfs/dbraw/zinc/17/28/76/945172876.db2.gz ASKWZRNDXFJBTR-NSHDSACASA-N 1 2 276.336 1.950 20 30 CDEDLO Cc1ccc(C#N)c(NCC2([NH+]3CCCC3)COC2)n1 ZINC001157650225 938526885 /nfs/dbraw/zinc/52/68/85/938526885.db2.gz MVLWRZGJGIVKSN-UHFFFAOYSA-N 1 2 272.352 1.538 20 30 CDEDLO CC(=O)N[C@@H]1CCCN(c2[nH+]ccc3[nH]cc(C#N)c32)C1 ZINC001157965632 938569789 /nfs/dbraw/zinc/56/97/89/938569789.db2.gz KECCXCLONZITKQ-GFCCVEGCSA-N 1 2 283.335 1.539 20 30 CDEDLO CC(=O)N[C@@H]1CCCN(c2cc(CC#N)cc[nH+]2)C1 ZINC001157965398 938569899 /nfs/dbraw/zinc/56/98/99/938569899.db2.gz CCOKTYGOMXDAJP-CYBMUJFWSA-N 1 2 258.325 1.253 20 30 CDEDLO C=CCOCC[NH2+]CCCNC(=O)C(F)C(F)(F)F ZINC001158462836 938627770 /nfs/dbraw/zinc/62/77/70/938627770.db2.gz KFMGBWAXEAIKIU-SECBINFHSA-N 1 2 286.269 1.185 20 30 CDEDLO C=CCOCC[NH2+]CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001158462836 938627771 /nfs/dbraw/zinc/62/77/71/938627771.db2.gz KFMGBWAXEAIKIU-SECBINFHSA-N 1 2 286.269 1.185 20 30 CDEDLO Cc1ccc(CC#N)c(N2C[C@@H]3COC[C@H](C2)C3=O)[nH+]1 ZINC001158705640 938652642 /nfs/dbraw/zinc/65/26/42/938652642.db2.gz XKPHQRWSOOIMQW-BETUJISGSA-N 1 2 271.320 1.108 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(F)c(F)c2OC)CC1 ZINC001238471053 945195820 /nfs/dbraw/zinc/19/58/20/945195820.db2.gz BNBUSHZJHWTUTJ-UHFFFAOYSA-N 1 2 280.318 1.724 20 30 CDEDLO COC(=O)c1ccc(C(=[NH2+])Nc2ccnc3ccnn32)cc1 ZINC001159848399 938756892 /nfs/dbraw/zinc/75/68/92/938756892.db2.gz RWEWOJNTIVIPQF-UHFFFAOYSA-N 1 2 295.302 1.553 20 30 CDEDLO Cn1cc(CNc2cc(C3(C#N)CC3)cc[nH+]2)cn1 ZINC001161850772 938935701 /nfs/dbraw/zinc/93/57/01/938935701.db2.gz BLPVRXVRHMTKGS-UHFFFAOYSA-N 1 2 253.309 1.982 20 30 CDEDLO Cc1nc(NCc2ccc3[nH+]ccn3c2)cnc1C#N ZINC001163138853 939211227 /nfs/dbraw/zinc/21/12/27/939211227.db2.gz BLMWBCZTLRUYAK-UHFFFAOYSA-N 1 2 264.292 1.917 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(N3CCn4cnnc4C3)c2c1 ZINC001163676210 939305593 /nfs/dbraw/zinc/30/55/93/939305593.db2.gz WLMQMLWYEXQTQS-UHFFFAOYSA-N 1 2 276.303 1.718 20 30 CDEDLO COc1nc(NOCC[NH3+])c(C#N)c(C)c1Cl ZINC001164406990 939471414 /nfs/dbraw/zinc/47/14/14/939471414.db2.gz FOKZAUDBOGFWCW-UHFFFAOYSA-N 1 2 256.693 1.226 20 30 CDEDLO N#Cc1ccc2ccnc(N3CC[NH2+]C[C@H]3C#N)c2c1 ZINC001164641888 939501491 /nfs/dbraw/zinc/50/14/91/939501491.db2.gz OPQYVSBLAWUSMW-CYBMUJFWSA-N 1 2 263.304 1.408 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1c1cc2ccc(Cl)nc2cn1 ZINC001164651430 939501681 /nfs/dbraw/zinc/50/16/81/939501681.db2.gz GXNKERGIQUUZRN-SNVBAGLBSA-N 1 2 273.727 1.585 20 30 CDEDLO Cc1nc(CCN(C)c2cc(CC#N)cc[nH+]2)no1 ZINC001165219929 939527130 /nfs/dbraw/zinc/52/71/30/939527130.db2.gz XPQRBVJFBVNUDY-UHFFFAOYSA-N 1 2 257.297 1.518 20 30 CDEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCN4C(=O)OC[C@H]4C3)c12 ZINC001166927291 939650413 /nfs/dbraw/zinc/65/04/13/939650413.db2.gz LHCTVVKIVOLPRX-SNVBAGLBSA-N 1 2 283.291 1.075 20 30 CDEDLO CC(=O)N1CC[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001203764365 939703095 /nfs/dbraw/zinc/70/30/95/939703095.db2.gz NBXZFYUDDXBZEW-GFCCVEGCSA-N 1 2 257.337 1.611 20 30 CDEDLO CC(=O)N1CC[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001203764365 939703097 /nfs/dbraw/zinc/70/30/97/939703097.db2.gz NBXZFYUDDXBZEW-GFCCVEGCSA-N 1 2 257.337 1.611 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3ccc(C#N)c(Cl)c3)C[C@@H]21 ZINC001276435890 939722795 /nfs/dbraw/zinc/72/27/95/939722795.db2.gz NXQZNLUCDDYFGD-GJZGRUSLSA-N 1 2 291.782 1.726 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3ccc(C#N)c(Cl)c3)C[C@@H]21 ZINC001276435890 939722798 /nfs/dbraw/zinc/72/27/98/939722798.db2.gz NXQZNLUCDDYFGD-GJZGRUSLSA-N 1 2 291.782 1.726 20 30 CDEDLO CN1CCO[C@H]2C[N@H+](Cc3ccc(C#N)c(Cl)c3)C[C@@H]21 ZINC001276435890 939722800 /nfs/dbraw/zinc/72/28/00/939722800.db2.gz NXQZNLUCDDYFGD-GJZGRUSLSA-N 1 2 291.782 1.726 20 30 CDEDLO CN1CCO[C@H]2C[N@@H+](Cc3ccc(C#N)c(Cl)c3)C[C@@H]21 ZINC001276435890 939722802 /nfs/dbraw/zinc/72/28/02/939722802.db2.gz NXQZNLUCDDYFGD-GJZGRUSLSA-N 1 2 291.782 1.726 20 30 CDEDLO N#Cc1cccc(NC(=O)NCc2ccn3cc[nH+]c3c2)n1 ZINC001206772765 940086789 /nfs/dbraw/zinc/08/67/89/940086789.db2.gz FBWPMGHERMIIIF-UHFFFAOYSA-N 1 2 292.302 1.923 20 30 CDEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ncccn1)C2 ZINC001207014311 940128790 /nfs/dbraw/zinc/12/87/90/940128790.db2.gz ZLKCWNMTLPNPAX-GOEBONIOSA-N 1 2 289.379 1.803 20 30 CDEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ncccn1)C2 ZINC001207014311 940128793 /nfs/dbraw/zinc/12/87/93/940128793.db2.gz ZLKCWNMTLPNPAX-GOEBONIOSA-N 1 2 289.379 1.803 20 30 CDEDLO O=C1C=C2C[N@@H+](Cc3cccc(=O)[nH]3)CC[C@H]2S1 ZINC001207066206 940140910 /nfs/dbraw/zinc/14/09/10/940140910.db2.gz JAYKDEIUTTYELU-LLVKDONJSA-N 1 2 262.334 1.561 20 30 CDEDLO O=C1C=C2C[N@H+](Cc3cccc(=O)[nH]3)CC[C@H]2S1 ZINC001207066206 940140911 /nfs/dbraw/zinc/14/09/11/940140911.db2.gz JAYKDEIUTTYELU-LLVKDONJSA-N 1 2 262.334 1.561 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001213260998 940764075 /nfs/dbraw/zinc/76/40/75/940764075.db2.gz ZCNSHRMBASNBPE-VXGBXAGGSA-N 1 2 272.364 1.374 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001213260998 940764078 /nfs/dbraw/zinc/76/40/78/940764078.db2.gz ZCNSHRMBASNBPE-VXGBXAGGSA-N 1 2 272.364 1.374 20 30 CDEDLO COc1cc([NH+]=C(NO)c2ccccc2N)ccc1CO ZINC001216117086 940922168 /nfs/dbraw/zinc/92/21/68/940922168.db2.gz JHMSKKBMFRVTNZ-UHFFFAOYSA-N 1 2 287.319 1.827 20 30 CDEDLO C=C1CC[NH2+]C[C@@H]1Oc1[nH]c(=O)nc2ccc(OC)cc21 ZINC001218206641 941044451 /nfs/dbraw/zinc/04/44/51/941044451.db2.gz DOODNWAVHSSKMS-ZDUSSCGKSA-N 1 2 287.319 1.641 20 30 CDEDLO N=C(c1ccccc1N)N(O)C(=O)[C@@H]([NH3+])c1ccsc1 ZINC001218964771 941294028 /nfs/dbraw/zinc/29/40/28/941294028.db2.gz ASIQONBNTGBBBO-NSHDSACASA-N 1 2 290.348 1.573 20 30 CDEDLO C#Cc1ccc(NC(=O)NCCn2cc[nH+]c2)cc1 ZINC001220348782 941440103 /nfs/dbraw/zinc/44/01/03/941440103.db2.gz PEVUVQQPMSHXJC-UHFFFAOYSA-N 1 2 254.293 1.686 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](CCC)CC(C)C)[C@@H](O)C1 ZINC001221126726 941498003 /nfs/dbraw/zinc/49/80/03/941498003.db2.gz VWOUSNUAXDSUFE-KFWWJZLASA-N 1 2 280.412 1.243 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CCC)CC(C)C)[C@@H](O)C1 ZINC001221126726 941498004 /nfs/dbraw/zinc/49/80/04/941498004.db2.gz VWOUSNUAXDSUFE-KFWWJZLASA-N 1 2 280.412 1.243 20 30 CDEDLO C[C@H](C#N)C(=O)NCC1CC[NH+](Cc2cnns2)CC1 ZINC001222658433 941622228 /nfs/dbraw/zinc/62/22/28/941622228.db2.gz NIZKBVNJLVPFKS-SNVBAGLBSA-N 1 2 293.396 1.026 20 30 CDEDLO N#Cc1cc[nH]c1CN1CC2(CC[N@@H+]2Cc2ccc[nH]2)C1 ZINC001276838160 941633756 /nfs/dbraw/zinc/63/37/56/941633756.db2.gz OVLZZTQIAOKINE-UHFFFAOYSA-N 1 2 281.363 1.675 20 30 CDEDLO N#Cc1cc[nH]c1CN1CC2(CC[N@H+]2Cc2ccc[nH]2)C1 ZINC001276838160 941633758 /nfs/dbraw/zinc/63/37/58/941633758.db2.gz OVLZZTQIAOKINE-UHFFFAOYSA-N 1 2 281.363 1.675 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2ccc(C#N)c(F)c2F)C1 ZINC001226016937 941941463 /nfs/dbraw/zinc/94/14/63/941941463.db2.gz FCPNQXSXRMMGKM-JTQLQIEISA-N 1 2 268.263 1.546 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2ccc(C#N)c(F)c2F)C1 ZINC001226016937 941941465 /nfs/dbraw/zinc/94/14/65/941941465.db2.gz FCPNQXSXRMMGKM-JTQLQIEISA-N 1 2 268.263 1.546 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Oc1cccc(/C=N/O)c1 ZINC001226115249 941953493 /nfs/dbraw/zinc/95/34/93/941953493.db2.gz ZQTGDELWHSPELD-JXCQQFQQSA-N 1 2 264.325 1.594 20 30 CDEDLO COc1ccc(OC[C@@H]2C[N@H+](C)CCO2)c(C#N)c1 ZINC001228119852 942270838 /nfs/dbraw/zinc/27/08/38/942270838.db2.gz MULBQIVDFNAHLW-ZDUSSCGKSA-N 1 2 262.309 1.276 20 30 CDEDLO COc1ccc(OC[C@@H]2C[N@@H+](C)CCO2)c(C#N)c1 ZINC001228119852 942270842 /nfs/dbraw/zinc/27/08/42/942270842.db2.gz MULBQIVDFNAHLW-ZDUSSCGKSA-N 1 2 262.309 1.276 20 30 CDEDLO Cn1cnc2cc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@H+]4C)ccc21 ZINC001228345848 942303270 /nfs/dbraw/zinc/30/32/70/942303270.db2.gz CGNICPAEALBOCX-BDOHNGBXSA-N 1 2 285.347 1.565 20 30 CDEDLO Cn1cnc2cc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@@H+]4C)ccc21 ZINC001228345848 942303277 /nfs/dbraw/zinc/30/32/77/942303277.db2.gz CGNICPAEALBOCX-BDOHNGBXSA-N 1 2 285.347 1.565 20 30 CDEDLO CCCc1cc(C)nc(OC[C@@H]2C[N@H+](C)CCO2)c1C#N ZINC001228600172 942339074 /nfs/dbraw/zinc/33/90/74/942339074.db2.gz YKPXYNNHZBMLSQ-AWEZNQCLSA-N 1 2 289.379 1.924 20 30 CDEDLO CCCc1cc(C)nc(OC[C@@H]2C[N@@H+](C)CCO2)c1C#N ZINC001228600172 942339079 /nfs/dbraw/zinc/33/90/79/942339079.db2.gz YKPXYNNHZBMLSQ-AWEZNQCLSA-N 1 2 289.379 1.924 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccn4ccnc4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229106937 942419459 /nfs/dbraw/zinc/41/94/59/942419459.db2.gz DUECMYNYULHVPT-KYFMZXIUSA-N 1 2 271.320 1.326 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccn4ccnc4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229106937 942419462 /nfs/dbraw/zinc/41/94/62/942419462.db2.gz DUECMYNYULHVPT-KYFMZXIUSA-N 1 2 271.320 1.326 20 30 CDEDLO CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001316604195 942460745 /nfs/dbraw/zinc/46/07/45/942460745.db2.gz LEMMKMZYACJWRD-BZUAXINKSA-N 1 2 292.423 1.605 20 30 CDEDLO CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001316604195 942460747 /nfs/dbraw/zinc/46/07/47/942460747.db2.gz LEMMKMZYACJWRD-BZUAXINKSA-N 1 2 292.423 1.605 20 30 CDEDLO CO[C@@H](C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230538224 942634570 /nfs/dbraw/zinc/63/45/70/942634570.db2.gz QWBBMJKLKOCRCJ-DZGCQCFKSA-N 1 2 293.411 1.638 20 30 CDEDLO CO[C@@H](C)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001230538224 942634572 /nfs/dbraw/zinc/63/45/72/942634572.db2.gz QWBBMJKLKOCRCJ-DZGCQCFKSA-N 1 2 293.411 1.638 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCCC ZINC001230795052 942699464 /nfs/dbraw/zinc/69/94/64/942699464.db2.gz CJOKPQDCCITSTN-UONOGXRCSA-N 1 2 295.427 1.400 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC ZINC001230795052 942699468 /nfs/dbraw/zinc/69/94/68/942699468.db2.gz CJOKPQDCCITSTN-UONOGXRCSA-N 1 2 295.427 1.400 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NCC=C ZINC001231121406 942791696 /nfs/dbraw/zinc/79/16/96/942791696.db2.gz CLTCBIWFWFOHDN-KBPBESRZSA-N 1 2 293.411 1.176 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NCC=C ZINC001231121406 942791701 /nfs/dbraw/zinc/79/17/01/942791701.db2.gz CLTCBIWFWFOHDN-KBPBESRZSA-N 1 2 293.411 1.176 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@@H]2CN(C)C(=O)[C@@H](C)C#N)on1 ZINC001231247518 942830757 /nfs/dbraw/zinc/83/07/57/942830757.db2.gz OKXFFIHWIBRKHR-CMPLNLGQSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)[C@@H](C)C#N)on1 ZINC001231247518 942830758 /nfs/dbraw/zinc/83/07/58/942830758.db2.gz OKXFFIHWIBRKHR-CMPLNLGQSA-N 1 2 276.340 1.175 20 30 CDEDLO CCc1nocc1C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231248102 942833562 /nfs/dbraw/zinc/83/35/62/942833562.db2.gz UOIZYIHWRSZSBI-YPMHNXCESA-N 1 2 290.367 1.429 20 30 CDEDLO CCc1nocc1C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231248102 942833566 /nfs/dbraw/zinc/83/35/66/942833566.db2.gz UOIZYIHWRSZSBI-YPMHNXCESA-N 1 2 290.367 1.429 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc3ccncc3[nH]2)CC1 ZINC001232098143 943140530 /nfs/dbraw/zinc/14/05/30/943140530.db2.gz JEKZGANQVYOOJA-UHFFFAOYSA-N 1 2 298.346 1.842 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@](F)(CO)CC2)c1 ZINC001232673843 943354311 /nfs/dbraw/zinc/35/43/11/943354311.db2.gz OFNHNVJOSLSRSO-HNNXBMFYSA-N 1 2 278.327 1.950 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@](F)(CO)CC2)c1 ZINC001232673843 943354312 /nfs/dbraw/zinc/35/43/12/943354312.db2.gz OFNHNVJOSLSRSO-HNNXBMFYSA-N 1 2 278.327 1.950 20 30 CDEDLO CC(C)(O)C[NH+]1CCN(Cc2cc(C#N)ccc2O)CC1 ZINC001232681990 943362940 /nfs/dbraw/zinc/36/29/40/943362940.db2.gz YDHAPQNGAUFSKQ-UHFFFAOYSA-N 1 2 289.379 1.152 20 30 CDEDLO C[N@H+](Cc1cnccn1)Cc1cc(C#N)ccc1O ZINC001232679763 943362994 /nfs/dbraw/zinc/36/29/94/943362994.db2.gz RQVPFBYQOHACPI-UHFFFAOYSA-N 1 2 254.293 1.686 20 30 CDEDLO C[N@@H+](Cc1cnccn1)Cc1cc(C#N)ccc1O ZINC001232679763 943362998 /nfs/dbraw/zinc/36/29/98/943362998.db2.gz RQVPFBYQOHACPI-UHFFFAOYSA-N 1 2 254.293 1.686 20 30 CDEDLO N#Cc1ccc(C[N@H+]2C[C@H](F)C[C@@H](CO)C2)c(O)c1 ZINC001233383239 943570839 /nfs/dbraw/zinc/57/08/39/943570839.db2.gz BOMSULDHFPNBBQ-DGCLKSJQSA-N 1 2 264.300 1.416 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)c(O)c1 ZINC001233383239 943570840 /nfs/dbraw/zinc/57/08/40/943570840.db2.gz BOMSULDHFPNBBQ-DGCLKSJQSA-N 1 2 264.300 1.416 20 30 CDEDLO N#Cc1ccc(CN2CC([NH+]3CCC(F)CC3)C2)c(O)c1 ZINC001233386870 943573860 /nfs/dbraw/zinc/57/38/60/943573860.db2.gz LOPBFNQZFYGUMP-UHFFFAOYSA-N 1 2 289.354 1.882 20 30 CDEDLO N#Cc1ccc(C[NH+]2CC(N3CCC(F)CC3)C2)c(O)c1 ZINC001233386870 943573869 /nfs/dbraw/zinc/57/38/69/943573869.db2.gz LOPBFNQZFYGUMP-UHFFFAOYSA-N 1 2 289.354 1.882 20 30 CDEDLO CCN1CC[N@@H+](Cc2ccc(C#N)cc2O)[C@H](C)C1 ZINC001233388303 943576388 /nfs/dbraw/zinc/57/63/88/943576388.db2.gz UOQBJXGGSRASNP-GFCCVEGCSA-N 1 2 259.353 1.790 20 30 CDEDLO CC[N@H+]1CCN(Cc2ccc(C#N)cc2O)[C@H](C)C1 ZINC001233388303 943576382 /nfs/dbraw/zinc/57/63/82/943576382.db2.gz UOQBJXGGSRASNP-GFCCVEGCSA-N 1 2 259.353 1.790 20 30 CDEDLO CCN1CC[N@H+](Cc2ccc(C#N)cc2O)[C@H](C)C1 ZINC001233388303 943576386 /nfs/dbraw/zinc/57/63/86/943576386.db2.gz UOQBJXGGSRASNP-GFCCVEGCSA-N 1 2 259.353 1.790 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cn3cccc(Cl)c3n2)CC1 ZINC001233423522 943581159 /nfs/dbraw/zinc/58/11/59/943581159.db2.gz ZRNBFEXWZKJUSN-UHFFFAOYSA-N 1 2 288.782 1.739 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2ccc3sc(C#N)nc3c2)C1 ZINC001233707022 943644332 /nfs/dbraw/zinc/64/43/32/943644332.db2.gz VKRKBWXCXCYTME-NSHDSACASA-N 1 2 289.360 1.877 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2ccc3sc(C#N)nc3c2)C1 ZINC001233707022 943644334 /nfs/dbraw/zinc/64/43/34/943644334.db2.gz VKRKBWXCXCYTME-NSHDSACASA-N 1 2 289.360 1.877 20 30 CDEDLO CN(C[C@@H]1CC[N@@H+]1C/C=C\Cl)C(=O)C#CC1CC1 ZINC001234197137 943773972 /nfs/dbraw/zinc/77/39/72/943773972.db2.gz XOHABEBOMQFGTN-YFBARTHOSA-N 1 2 266.772 1.685 20 30 CDEDLO CN(C[C@@H]1CC[N@H+]1C/C=C\Cl)C(=O)C#CC1CC1 ZINC001234197137 943773976 /nfs/dbraw/zinc/77/39/76/943773976.db2.gz XOHABEBOMQFGTN-YFBARTHOSA-N 1 2 266.772 1.685 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(N)cc2Cl)CC1 ZINC000384752640 944042149 /nfs/dbraw/zinc/04/21/49/944042149.db2.gz GUDZQFNSXCIHIJ-UHFFFAOYSA-N 1 2 263.772 1.673 20 30 CDEDLO N#CCCCN1C[C@@H]2COC[C@H](C1)[N@@H+]2C1CCCC1 ZINC001277942803 944144946 /nfs/dbraw/zinc/14/49/46/944144946.db2.gz DYTJCMOGJKNJSQ-GASCZTMLSA-N 1 2 263.385 1.618 20 30 CDEDLO N#CCCCN1C[C@@H]2COC[C@H](C1)[N@H+]2C1CCCC1 ZINC001277942803 944144950 /nfs/dbraw/zinc/14/49/50/944144950.db2.gz DYTJCMOGJKNJSQ-GASCZTMLSA-N 1 2 263.385 1.618 20 30 CDEDLO COC(=O)N1CC[NH+](Cc2ccccc2CC#N)CC1 ZINC001235511568 944182897 /nfs/dbraw/zinc/18/28/97/944182897.db2.gz IGPIBRAJWAGUAM-UHFFFAOYSA-N 1 2 273.336 1.637 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCOC)C1 ZINC001266198062 944749541 /nfs/dbraw/zinc/74/95/41/944749541.db2.gz XABOYLZYMBOTRH-NSHDSACASA-N 1 2 260.765 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCOC)C1 ZINC001266198062 944749557 /nfs/dbraw/zinc/74/95/57/944749557.db2.gz XABOYLZYMBOTRH-NSHDSACASA-N 1 2 260.765 1.356 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cn2cc(C#N)ccc2n1 ZINC001237607208 944879987 /nfs/dbraw/zinc/87/99/87/944879987.db2.gz SEUUQXWOXAWPLZ-AWEZNQCLSA-N 1 2 297.362 1.259 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cn2cc(C#N)ccc2n1 ZINC001237607208 944879990 /nfs/dbraw/zinc/87/99/90/944879990.db2.gz SEUUQXWOXAWPLZ-AWEZNQCLSA-N 1 2 297.362 1.259 20 30 CDEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC001237745597 944944625 /nfs/dbraw/zinc/94/46/25/944944625.db2.gz HEDKYLZJKROSIV-HNNXBMFYSA-N 1 2 291.782 1.728 20 30 CDEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC001237745597 944944630 /nfs/dbraw/zinc/94/46/30/944944630.db2.gz HEDKYLZJKROSIV-HNNXBMFYSA-N 1 2 291.782 1.728 20 30 CDEDLO COc1ccccc1C[C@@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001258887503 945437311 /nfs/dbraw/zinc/43/73/11/945437311.db2.gz GDSWFTMLGDFKGN-OCCSQVGLSA-N 1 2 259.353 1.424 20 30 CDEDLO C[C@@H](O)c1ncc(C[N@@H+]2CC[C@](O)(CC#N)C2)s1 ZINC001261494269 946142924 /nfs/dbraw/zinc/14/29/24/946142924.db2.gz KPUUZJTYJIMZEK-BXKDBHETSA-N 1 2 267.354 1.047 20 30 CDEDLO C[C@@H](O)c1ncc(C[N@H+]2CC[C@](O)(CC#N)C2)s1 ZINC001261494269 946142932 /nfs/dbraw/zinc/14/29/32/946142932.db2.gz KPUUZJTYJIMZEK-BXKDBHETSA-N 1 2 267.354 1.047 20 30 CDEDLO Cc1[nH+]c[nH]c1CN1CC[C@@H]2C[C@@]21C(=O)NC1(C#N)CCC1 ZINC001278353598 946901020 /nfs/dbraw/zinc/90/10/20/946901020.db2.gz LCAGNSPYWIQNRK-WBMJQRKESA-N 1 2 299.378 1.245 20 30 CDEDLO COC(OC)c1c(/C=N/O)ccnc1C1=C[NH2+]CCC1 ZINC001243949452 947261565 /nfs/dbraw/zinc/26/15/65/947261565.db2.gz LTZCIHVQYRTOCP-RQZCQDPDSA-N 1 2 277.324 1.905 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CC[C@@H](Oc2ncc(C)cn2)C1 ZINC001255177383 947766510 /nfs/dbraw/zinc/76/65/10/947766510.db2.gz QQVAMKUUNAOJEX-CHWSQXEVSA-N 1 2 260.341 1.930 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CC[C@@H](Oc2ncc(C)cn2)C1 ZINC001255177383 947766515 /nfs/dbraw/zinc/76/65/15/947766515.db2.gz QQVAMKUUNAOJEX-CHWSQXEVSA-N 1 2 260.341 1.930 20 30 CDEDLO CC[C@H](CC#N)N1CC([NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001255177999 947767748 /nfs/dbraw/zinc/76/77/48/947767748.db2.gz ZYDJJPBMEYKYKP-JHJVBQTASA-N 1 2 251.374 1.472 20 30 CDEDLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC1CCC(C#N)CC1 ZINC001256959683 948463877 /nfs/dbraw/zinc/46/38/77/948463877.db2.gz PZNIWXCGBYNEJL-YIZWMMSDSA-N 1 2 290.367 1.176 20 30 CDEDLO COC(=O)[C@H](Cc1cncn1C)[NH2+]C1CCC(C#N)CC1 ZINC001256959683 948463884 /nfs/dbraw/zinc/46/38/84/948463884.db2.gz PZNIWXCGBYNEJL-YIZWMMSDSA-N 1 2 290.367 1.176 20 30 CDEDLO N#Cc1cccc(-c2noc(Cc3c[nH]c[nH+]3)n2)c1 ZINC001247137867 948597246 /nfs/dbraw/zinc/59/72/46/948597246.db2.gz LUGCTCVMZMCHGD-UHFFFAOYSA-N 1 2 251.249 1.922 20 30 CDEDLO C#CC[C@@H]([NH3+])c1nc(-c2ccccc2C(C)=O)no1 ZINC001247609365 948678327 /nfs/dbraw/zinc/67/83/27/948678327.db2.gz GRUZIBJJSGWDQH-GFCCVEGCSA-N 1 2 255.277 1.962 20 30 CDEDLO Cc1[nH+]cc(NS(=O)(=O)c2ccccc2C#N)n1C ZINC001258215002 948735955 /nfs/dbraw/zinc/73/59/55/948735955.db2.gz WPWAVNXPPWADNR-UHFFFAOYSA-N 1 2 276.321 1.401 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC001362815806 971641196 /nfs/dbraw/zinc/64/11/96/971641196.db2.gz ZKAHKUFPHOKYOO-LLVKDONJSA-N 1 2 283.335 1.558 20 30 CDEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc(C(=O)OCC)n(C)n2)C1 ZINC001250544908 950247991 /nfs/dbraw/zinc/24/79/91/950247991.db2.gz PVXQBUBPIUFNQV-GFCCVEGCSA-N 1 2 275.352 1.442 20 30 CDEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(C(=O)OCC)n(C)n2)C1 ZINC001250544908 950248004 /nfs/dbraw/zinc/24/80/04/950248004.db2.gz PVXQBUBPIUFNQV-GFCCVEGCSA-N 1 2 275.352 1.442 20 30 CDEDLO C=CCOC[C@H](O)C[NH2+][C@@H](CC(C)C)C(=O)OCC ZINC001252482083 951344526 /nfs/dbraw/zinc/34/45/26/951344526.db2.gz ISOMNUUZLZWXLA-OLZOCXBDSA-N 1 2 273.373 1.117 20 30 CDEDLO C=C[C@@](C)(O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001252547778 951433568 /nfs/dbraw/zinc/43/35/68/951433568.db2.gz LFCMWDDXKOTYSM-BBBLOLIVSA-N 1 2 271.254 1.261 20 30 CDEDLO C=C[C@@](C)(O)C[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001252547778 951433572 /nfs/dbraw/zinc/43/35/72/951433572.db2.gz LFCMWDDXKOTYSM-BBBLOLIVSA-N 1 2 271.254 1.261 20 30 CDEDLO C=C[C@@](C)(O)CN1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001252558222 951452103 /nfs/dbraw/zinc/45/21/03/951452103.db2.gz RRJAZMHZOPKUHY-CHWSQXEVSA-N 1 2 274.355 1.729 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCOC[C@H]1c1cccnc1 ZINC001252602573 951496165 /nfs/dbraw/zinc/49/61/65/951496165.db2.gz UTUPKZXAEBCGFI-CABCVRRESA-N 1 2 262.353 1.782 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCOC[C@H]1c1cccnc1 ZINC001252602573 951496168 /nfs/dbraw/zinc/49/61/68/951496168.db2.gz UTUPKZXAEBCGFI-CABCVRRESA-N 1 2 262.353 1.782 20 30 CDEDLO C=CCN(CC=C)C(=O)C(=O)NCc1c[nH+]c(C)cc1C ZINC001325949381 954151925 /nfs/dbraw/zinc/15/19/25/954151925.db2.gz BCKRWQWAKZZYKQ-UHFFFAOYSA-N 1 2 287.363 1.515 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@]1(C#N)CCSC1 ZINC001292651511 954224550 /nfs/dbraw/zinc/22/45/50/954224550.db2.gz ZXRZXFDIXBXBQE-GIPNMCIBSA-N 1 2 276.365 1.039 20 30 CDEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1cnn(C)c1 ZINC001326690894 954493581 /nfs/dbraw/zinc/49/35/81/954493581.db2.gz SWDSXQNTEPRSIY-VOTSOKGWSA-N 1 2 256.309 1.777 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCc1ccnn1C ZINC001422164681 955801884 /nfs/dbraw/zinc/80/18/84/955801884.db2.gz XAIQXHMLZPNTDZ-UHFFFAOYSA-N 1 2 298.818 1.495 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCc1ccnn1C ZINC001422164681 955801900 /nfs/dbraw/zinc/80/19/00/955801900.db2.gz XAIQXHMLZPNTDZ-UHFFFAOYSA-N 1 2 298.818 1.495 20 30 CDEDLO CC(C)c1[nH]cc(CNC(=O)c2coc(C#N)c2)[nH+]1 ZINC001304107099 956166150 /nfs/dbraw/zinc/16/61/50/956166150.db2.gz DMVPJFRNQQOKPY-UHFFFAOYSA-N 1 2 258.281 1.928 20 30 CDEDLO CC(C)c1[nH]c(CNC(=O)c2coc(C#N)c2)c[nH+]1 ZINC001304107099 956166159 /nfs/dbraw/zinc/16/61/59/956166159.db2.gz DMVPJFRNQQOKPY-UHFFFAOYSA-N 1 2 258.281 1.928 20 30 CDEDLO C[C@H](C#N)C(=O)NC1C[NH+](CCc2cccs2)C1 ZINC001494362613 972218034 /nfs/dbraw/zinc/21/80/34/972218034.db2.gz UARIKLSIKSBVFV-SNVBAGLBSA-N 1 2 263.366 1.251 20 30 CDEDLO C=CCNC(=O)CSCc1cc[nH+]c(N(C)C)c1 ZINC001320404583 959152213 /nfs/dbraw/zinc/15/22/13/959152213.db2.gz CUEVDKZRNKXPKZ-UHFFFAOYSA-N 1 2 265.382 1.683 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccnn1CC ZINC001368943135 959302639 /nfs/dbraw/zinc/30/26/39/959302639.db2.gz CMAYXRRESLIEND-LLVKDONJSA-N 1 2 284.791 1.706 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccnn1CC ZINC001368943135 959302652 /nfs/dbraw/zinc/30/26/52/959302652.db2.gz CMAYXRRESLIEND-LLVKDONJSA-N 1 2 284.791 1.706 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC(C)(C)O)C1 ZINC001418950197 961185089 /nfs/dbraw/zinc/18/50/89/961185089.db2.gz KASNRMRTAMBORE-LLVKDONJSA-N 1 2 274.792 1.481 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC(C)(C)O)C1 ZINC001418950197 961185100 /nfs/dbraw/zinc/18/51/00/961185100.db2.gz KASNRMRTAMBORE-LLVKDONJSA-N 1 2 274.792 1.481 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(C)nn1C ZINC001420179367 962537468 /nfs/dbraw/zinc/53/74/68/962537468.db2.gz ASMKIZBHKJZWHK-UHFFFAOYSA-N 1 2 270.764 1.143 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(C)nn1C ZINC001420179367 962537485 /nfs/dbraw/zinc/53/74/85/962537485.db2.gz ASMKIZBHKJZWHK-UHFFFAOYSA-N 1 2 270.764 1.143 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1nn(C)cc1C ZINC001420214566 962589996 /nfs/dbraw/zinc/58/99/96/962589996.db2.gz SPKOKPXJJVUKMD-UHFFFAOYSA-N 1 2 270.764 1.143 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1nn(C)cc1C ZINC001420214566 962590013 /nfs/dbraw/zinc/59/00/13/962590013.db2.gz SPKOKPXJJVUKMD-UHFFFAOYSA-N 1 2 270.764 1.143 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccns1 ZINC001420394247 962846020 /nfs/dbraw/zinc/84/60/20/962846020.db2.gz CLMNUXSECRNHBW-UHFFFAOYSA-N 1 2 273.789 1.947 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccns1 ZINC001420394247 962846040 /nfs/dbraw/zinc/84/60/40/962846040.db2.gz CLMNUXSECRNHBW-UHFFFAOYSA-N 1 2 273.789 1.947 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C1(C)CCOCC1 ZINC001437536922 962998272 /nfs/dbraw/zinc/99/82/72/962998272.db2.gz KZHCKKCAXNWEPC-UHFFFAOYSA-N 1 2 274.792 1.604 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C1(C)CCOCC1 ZINC001437536922 962998285 /nfs/dbraw/zinc/99/82/85/962998285.db2.gz KZHCKKCAXNWEPC-UHFFFAOYSA-N 1 2 274.792 1.604 20 30 CDEDLO CCCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001346199503 964982055 /nfs/dbraw/zinc/98/20/55/964982055.db2.gz YHZQNNFTLSPXMW-KGLIPLIRSA-N 1 2 293.411 1.874 20 30 CDEDLO CCCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001346199503 964982063 /nfs/dbraw/zinc/98/20/63/964982063.db2.gz YHZQNNFTLSPXMW-KGLIPLIRSA-N 1 2 293.411 1.874 20 30 CDEDLO CCn1c[nH+]cc1COC(=O)c1cc(C#N)[nH]c1C ZINC001346748037 965236129 /nfs/dbraw/zinc/23/61/29/965236129.db2.gz PXQJPCLYGQQCRU-UHFFFAOYSA-N 1 2 258.281 1.768 20 30 CDEDLO C=C(CC)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC001346972944 965317506 /nfs/dbraw/zinc/31/75/06/965317506.db2.gz QCEAHHFXZWXACC-OLZOCXBDSA-N 1 2 252.358 1.274 20 30 CDEDLO CCn1ccnc1[C@H](C#N)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001347337568 965480457 /nfs/dbraw/zinc/48/04/57/965480457.db2.gz JPPIPEYISGZDSP-NEPJUHHUSA-N 1 2 262.357 1.665 20 30 CDEDLO C=C(Br)CNC(=O)CCc1[nH+]ccn1C ZINC001548632967 967663833 /nfs/dbraw/zinc/66/38/33/967663833.db2.gz BGZCZKDUPSOHAS-UHFFFAOYSA-N 1 2 272.146 1.378 20 30 CDEDLO N#CC1CN(C(=O)c2c[nH+]ccc2Nc2ccccc2)C1 ZINC001468496165 970168448 /nfs/dbraw/zinc/16/84/48/970168448.db2.gz MCGKMFIVXDQJKH-UHFFFAOYSA-N 1 2 278.315 1.843 20 30 CDEDLO CCc1noc([C@@H](C)[NH2+]CCN(CC)C(=O)[C@H](C)C#N)n1 ZINC001379294037 975748947 /nfs/dbraw/zinc/74/89/47/975748947.db2.gz AASPQIDECGORLV-GHMZBOCLSA-N 1 2 293.371 1.291 20 30 CDEDLO Cc1cc(C[NH+]2CCC(C)(NC(=O)[C@@H](C)C#N)CC2)no1 ZINC001380299770 976338623 /nfs/dbraw/zinc/33/86/23/976338623.db2.gz QJBBWWOZSJLBAX-NSHDSACASA-N 1 2 290.367 1.613 20 30 CDEDLO Cc1ccnc(C[N@@H+](C)CCCN(C)C(=O)[C@H](C)C#N)n1 ZINC001402635184 976415003 /nfs/dbraw/zinc/41/50/03/976415003.db2.gz DPCUHSPUSWNSEQ-GFCCVEGCSA-N 1 2 289.383 1.225 20 30 CDEDLO Cc1ccnc(C[N@H+](C)CCCN(C)C(=O)[C@H](C)C#N)n1 ZINC001402635184 976415013 /nfs/dbraw/zinc/41/50/13/976415013.db2.gz DPCUHSPUSWNSEQ-GFCCVEGCSA-N 1 2 289.383 1.225 20 30 CDEDLO Cc1nnc([C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H](C)C#N)o1 ZINC001402639734 976417597 /nfs/dbraw/zinc/41/75/97/976417597.db2.gz RMIJROJQTBPIKC-MNOVXSKESA-N 1 2 293.371 1.379 20 30 CDEDLO Cc1nnc([C@H](C)[N@H+](C)CCCN(C)C(=O)[C@H](C)C#N)o1 ZINC001402639734 976417604 /nfs/dbraw/zinc/41/76/04/976417604.db2.gz RMIJROJQTBPIKC-MNOVXSKESA-N 1 2 293.371 1.379 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(COC)on1 ZINC001399591180 976592247 /nfs/dbraw/zinc/59/22/47/976592247.db2.gz LKQZKNDYPXKTLR-UHFFFAOYSA-N 1 2 287.747 1.235 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(COC)on1 ZINC001399591180 976592255 /nfs/dbraw/zinc/59/22/55/976592255.db2.gz LKQZKNDYPXKTLR-UHFFFAOYSA-N 1 2 287.747 1.235 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)[C@H](C)c1nnc(C)o1 ZINC001391124479 976703190 /nfs/dbraw/zinc/70/31/90/976703190.db2.gz WMLBMEKWFZNQAX-WDEREUQCSA-N 1 2 293.371 1.427 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)[C@H](C)c1nnc(C)o1 ZINC001391124479 976703198 /nfs/dbraw/zinc/70/31/98/976703198.db2.gz WMLBMEKWFZNQAX-WDEREUQCSA-N 1 2 293.371 1.427 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccns1 ZINC001403121927 976741201 /nfs/dbraw/zinc/74/12/01/976741201.db2.gz DESPXJDTZIOCHF-VIFPVBQESA-N 1 2 273.789 1.946 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccns1 ZINC001403121927 976741213 /nfs/dbraw/zinc/74/12/13/976741213.db2.gz DESPXJDTZIOCHF-VIFPVBQESA-N 1 2 273.789 1.946 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001132301763 1163228897 /nfs/dbraw/zinc/22/88/97/1163228897.db2.gz GBQURQAQSFANMZ-UHFFFAOYSA-N 1 2 266.345 1.186 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001132564247 1163372755 /nfs/dbraw/zinc/37/27/55/1163372755.db2.gz BIEKLBIIEYGXCU-WDEREUQCSA-N 1 2 279.384 1.955 20 30 CDEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nc(C(C)C)no1 ZINC001132569844 1163379121 /nfs/dbraw/zinc/37/91/21/1163379121.db2.gz ZRIPWBZPKHZPLV-NEPJUHHUSA-N 1 2 294.399 1.857 20 30 CDEDLO CC#CCCCC(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001132602062 1163389424 /nfs/dbraw/zinc/38/94/24/1163389424.db2.gz USULWRBPAKSOOU-LLVKDONJSA-N 1 2 278.356 1.338 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]Cc1csnn1 ZINC001132653401 1163416272 /nfs/dbraw/zinc/41/62/72/1163416272.db2.gz LBRGRMRMGGPVLX-SNVBAGLBSA-N 1 2 268.386 1.346 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001132667119 1163431660 /nfs/dbraw/zinc/43/16/60/1163431660.db2.gz DCACYJIYOCJTOM-ZDUSSCGKSA-N 1 2 276.384 1.593 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001132667336 1163431689 /nfs/dbraw/zinc/43/16/89/1163431689.db2.gz JQMWHHOVXKTSPK-GFCCVEGCSA-N 1 2 265.357 1.791 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)CCOC(=O)Cc1ccccc1 ZINC001657150046 1171934222 /nfs/dbraw/zinc/93/42/22/1171934222.db2.gz FXYVLOZYLJWQOR-CYBMUJFWSA-N 1 2 260.337 1.864 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)CCOC(=O)Cc1ccccc1 ZINC001657150046 1171934226 /nfs/dbraw/zinc/93/42/26/1171934226.db2.gz FXYVLOZYLJWQOR-CYBMUJFWSA-N 1 2 260.337 1.864 20 30 CDEDLO CN(C)c1c(F)c(F)ccc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000600167598 341982260 /nfs/dbraw/zinc/98/22/60/341982260.db2.gz PQGXRQDIGSVOFB-HNNXBMFYSA-N 1 2 295.333 1.881 20 30 CDEDLO CN(C)c1c(F)c(F)ccc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000600167598 341982261 /nfs/dbraw/zinc/98/22/61/341982261.db2.gz PQGXRQDIGSVOFB-HNNXBMFYSA-N 1 2 295.333 1.881 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CCCCCC#N ZINC000588295226 342495690 /nfs/dbraw/zinc/49/56/90/342495690.db2.gz CEKMZSUKNVAHIR-ZDUSSCGKSA-N 1 2 267.373 1.297 20 30 CDEDLO C[C@@H]1C[N@H+](CCNc2ccc(C#N)c([N+](=O)[O-])c2)CCO1 ZINC000589570363 342508838 /nfs/dbraw/zinc/50/88/38/342508838.db2.gz QXKOTWFXLUFUMD-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNc2ccc(C#N)c([N+](=O)[O-])c2)CCO1 ZINC000589570363 342508839 /nfs/dbraw/zinc/50/88/39/342508839.db2.gz QXKOTWFXLUFUMD-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO N#CCCN1CCN(c2[nH+]ccc3c(N)cccc32)CC1 ZINC000601262313 342539981 /nfs/dbraw/zinc/53/99/81/342539981.db2.gz ZOKSVYHBNQVUCO-UHFFFAOYSA-N 1 2 281.363 1.853 20 30 CDEDLO N#C[C@@H]1COCCN1C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000601245475 342539182 /nfs/dbraw/zinc/53/91/82/342539182.db2.gz FUUZGBKNJGMPSI-CYBMUJFWSA-N 1 2 282.303 1.441 20 30 CDEDLO CCC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290267772 365574883 /nfs/dbraw/zinc/57/48/83/365574883.db2.gz LFXWTOJUGGIEFU-UHFFFAOYSA-N 1 2 267.354 1.069 20 30 CDEDLO CCC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290267772 365574889 /nfs/dbraw/zinc/57/48/89/365574889.db2.gz LFXWTOJUGGIEFU-UHFFFAOYSA-N 1 2 267.354 1.069 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000608784743 342045063 /nfs/dbraw/zinc/04/50/63/342045063.db2.gz PYRYHYHZSNUZMK-UKRRQHHQSA-N 1 2 287.363 1.584 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000608784743 342045064 /nfs/dbraw/zinc/04/50/64/342045064.db2.gz PYRYHYHZSNUZMK-UKRRQHHQSA-N 1 2 287.363 1.584 20 30 CDEDLO N#Cc1nccnc1NCC[NH+]1Cc2ccccc2C1 ZINC000608831024 342053676 /nfs/dbraw/zinc/05/36/76/342053676.db2.gz HEMLQUGVCJBTMK-UHFFFAOYSA-N 1 2 265.320 1.776 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CC(=O)N(CC)CC ZINC000053065447 342057456 /nfs/dbraw/zinc/05/74/56/342057456.db2.gz LAFGSGUSPFIHRF-UHFFFAOYSA-N 1 2 283.416 1.211 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CC(=O)N(CC)CC ZINC000053065447 342057457 /nfs/dbraw/zinc/05/74/57/342057457.db2.gz LAFGSGUSPFIHRF-UHFFFAOYSA-N 1 2 283.416 1.211 20 30 CDEDLO C=C[C@@](C)(O)C(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000616508271 342112842 /nfs/dbraw/zinc/11/28/42/342112842.db2.gz HFSPATOTUZETCX-OAHLLOKOSA-N 1 2 273.336 1.238 20 30 CDEDLO COC1(CNc2cc(C)[nH+]cc2C#N)CCOCC1 ZINC000591821465 342647620 /nfs/dbraw/zinc/64/76/20/342647620.db2.gz FVHMSPODEXEDIL-UHFFFAOYSA-N 1 2 261.325 1.291 20 30 CDEDLO CCc1noc([C@@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592146325 342673383 /nfs/dbraw/zinc/67/33/83/342673383.db2.gz HHTQZPQVEQTLLC-SKDRFNHKSA-N 1 2 250.302 1.043 20 30 CDEDLO CCc1noc([C@@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592146325 342673384 /nfs/dbraw/zinc/67/33/84/342673384.db2.gz HHTQZPQVEQTLLC-SKDRFNHKSA-N 1 2 250.302 1.043 20 30 CDEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)[C@H]1C ZINC000592146662 342673602 /nfs/dbraw/zinc/67/36/02/342673602.db2.gz DXCAZOYAEZOUHP-HOSILWTGSA-N 1 2 293.411 1.278 20 30 CDEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)[C@H]1C ZINC000592146662 342673604 /nfs/dbraw/zinc/67/36/04/342673604.db2.gz DXCAZOYAEZOUHP-HOSILWTGSA-N 1 2 293.411 1.278 20 30 CDEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)[C@H]1C ZINC000592146664 342673903 /nfs/dbraw/zinc/67/39/03/342673903.db2.gz DXCAZOYAEZOUHP-ORIJERBGSA-N 1 2 293.411 1.278 20 30 CDEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)[C@H]1C ZINC000592146664 342673904 /nfs/dbraw/zinc/67/39/04/342673904.db2.gz DXCAZOYAEZOUHP-ORIJERBGSA-N 1 2 293.411 1.278 20 30 CDEDLO Cc1ccccc1NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148224 342668080 /nfs/dbraw/zinc/66/80/80/342668080.db2.gz WUCVYSYSSYLNGN-OAHLLOKOSA-N 1 2 273.336 1.284 20 30 CDEDLO Cc1ccccc1NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148224 342668081 /nfs/dbraw/zinc/66/80/81/342668081.db2.gz WUCVYSYSSYLNGN-OAHLLOKOSA-N 1 2 273.336 1.284 20 30 CDEDLO CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150502 342668643 /nfs/dbraw/zinc/66/86/43/342668643.db2.gz FLEQMOXDQXUHCL-DGCLKSJQSA-N 1 2 254.330 1.069 20 30 CDEDLO CCC[C@H](C(=O)OCC)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150502 342668644 /nfs/dbraw/zinc/66/86/44/342668644.db2.gz FLEQMOXDQXUHCL-DGCLKSJQSA-N 1 2 254.330 1.069 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000592150733 342668898 /nfs/dbraw/zinc/66/88/98/342668898.db2.gz ICHRZYJWGNVSKJ-GDBMZVCRSA-N 1 2 285.347 1.142 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000592150733 342668899 /nfs/dbraw/zinc/66/88/99/342668899.db2.gz ICHRZYJWGNVSKJ-GDBMZVCRSA-N 1 2 285.347 1.142 20 30 CDEDLO COC(=O)c1ccc(F)c(C[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592150642 342668938 /nfs/dbraw/zinc/66/89/38/342668938.db2.gz FNQDJVFCXVFLON-OAHLLOKOSA-N 1 2 292.310 1.463 20 30 CDEDLO COC(=O)c1ccc(F)c(C[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592150642 342668939 /nfs/dbraw/zinc/66/89/39/342668939.db2.gz FNQDJVFCXVFLON-OAHLLOKOSA-N 1 2 292.310 1.463 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccncc2Cl)C1 ZINC000592152413 342669453 /nfs/dbraw/zinc/66/94/53/342669453.db2.gz XKHBJWKSRBVPID-LBPRGKRZSA-N 1 2 251.717 1.585 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccncc2Cl)C1 ZINC000592152413 342669454 /nfs/dbraw/zinc/66/94/54/342669454.db2.gz XKHBJWKSRBVPID-LBPRGKRZSA-N 1 2 251.717 1.585 20 30 CDEDLO CC1(C#N)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000592947509 342748903 /nfs/dbraw/zinc/74/89/03/342748903.db2.gz LAEDWMGRBLJJOA-GFCCVEGCSA-N 1 2 272.352 1.598 20 30 CDEDLO CCNC(=O)C[N@H+](CC)Cc1cn2ccccc2c1C#N ZINC000073343699 342186305 /nfs/dbraw/zinc/18/63/05/342186305.db2.gz SGWFTZQCZCUZPE-UHFFFAOYSA-N 1 2 284.363 1.769 20 30 CDEDLO CCNC(=O)C[N@@H+](CC)Cc1cn2ccccc2c1C#N ZINC000073343699 342186306 /nfs/dbraw/zinc/18/63/06/342186306.db2.gz SGWFTZQCZCUZPE-UHFFFAOYSA-N 1 2 284.363 1.769 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000599311244 344004557 /nfs/dbraw/zinc/00/45/57/344004557.db2.gz IBCSOQPVSHZFDF-CYBMUJFWSA-N 1 2 295.342 1.520 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000599311244 344004561 /nfs/dbraw/zinc/00/45/61/344004561.db2.gz IBCSOQPVSHZFDF-CYBMUJFWSA-N 1 2 295.342 1.520 20 30 CDEDLO CC(C)(C)n1nnc(CC[N@@H+]2CCC[C@@](C)(C#N)C2)n1 ZINC000595427182 343056985 /nfs/dbraw/zinc/05/69/85/343056985.db2.gz SCIYBZLQKKGWAK-AWEZNQCLSA-N 1 2 276.388 1.596 20 30 CDEDLO CC(C)(C)n1nnc(CC[N@H+]2CCC[C@@](C)(C#N)C2)n1 ZINC000595427182 343056987 /nfs/dbraw/zinc/05/69/87/343056987.db2.gz SCIYBZLQKKGWAK-AWEZNQCLSA-N 1 2 276.388 1.596 20 30 CDEDLO N#CCCC[N@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000595518542 343074500 /nfs/dbraw/zinc/07/45/00/343074500.db2.gz BHKAHFGMVLFHFJ-GFCCVEGCSA-N 1 2 256.371 1.191 20 30 CDEDLO N#CCCC[N@@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000595518542 343074502 /nfs/dbraw/zinc/07/45/02/343074502.db2.gz BHKAHFGMVLFHFJ-GFCCVEGCSA-N 1 2 256.371 1.191 20 30 CDEDLO N#Cc1cccc(CN2CCn3c[nH+]cc3C2)c1F ZINC000595489302 343075788 /nfs/dbraw/zinc/07/57/88/343075788.db2.gz GGQMMZBHQUJECO-UHFFFAOYSA-N 1 2 256.284 1.910 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCn2cncc2C1 ZINC000595490473 343075974 /nfs/dbraw/zinc/07/59/74/343075974.db2.gz MHUOQRUTMBYTDT-UHFFFAOYSA-N 1 2 268.320 1.779 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCn2cncc2C1 ZINC000595490473 343075976 /nfs/dbraw/zinc/07/59/76/343075976.db2.gz MHUOQRUTMBYTDT-UHFFFAOYSA-N 1 2 268.320 1.779 20 30 CDEDLO COc1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)on1 ZINC000595502116 343078576 /nfs/dbraw/zinc/07/85/76/343078576.db2.gz PGGZQRYSACYHEZ-UHFFFAOYSA-N 1 2 299.334 1.272 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595634436 343122635 /nfs/dbraw/zinc/12/26/35/343122635.db2.gz CHVUEXMQQSUCNY-LBPRGKRZSA-N 1 2 288.351 1.925 20 30 CDEDLO C[C@H]1C[N@H+](CCNc2ncccc2C#N)[C@@H](C)CO1 ZINC000596430222 343319117 /nfs/dbraw/zinc/31/91/17/343319117.db2.gz KPFHUESPPWRCBH-RYUDHWBXSA-N 1 2 260.341 1.474 20 30 CDEDLO C[C@H]1C[N@@H+](CCNc2ncccc2C#N)[C@@H](C)CO1 ZINC000596430222 343319120 /nfs/dbraw/zinc/31/91/20/343319120.db2.gz KPFHUESPPWRCBH-RYUDHWBXSA-N 1 2 260.341 1.474 20 30 CDEDLO C[C@H]1C[N@H+](CCNc2cnccc2C#N)[C@@H](C)CO1 ZINC000596430277 343319300 /nfs/dbraw/zinc/31/93/00/343319300.db2.gz LAQDJJDOUIPLHS-RYUDHWBXSA-N 1 2 260.341 1.474 20 30 CDEDLO C[C@H]1C[N@@H+](CCNc2cnccc2C#N)[C@@H](C)CO1 ZINC000596430277 343319301 /nfs/dbraw/zinc/31/93/01/343319301.db2.gz LAQDJJDOUIPLHS-RYUDHWBXSA-N 1 2 260.341 1.474 20 30 CDEDLO Cc1nnc(N[C@H](C)c2[nH+]ccn2C)c(C#N)c1C ZINC000596542429 343346648 /nfs/dbraw/zinc/34/66/48/343346648.db2.gz IEUKCACEPACVMG-SNVBAGLBSA-N 1 2 256.313 1.872 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CCC#N)CCC#N ZINC000596894007 343410538 /nfs/dbraw/zinc/41/05/38/343410538.db2.gz KYILRHLRDQDPJX-VXGBXAGGSA-N 1 2 271.324 1.180 20 30 CDEDLO CC1(C)C[C@@]1(C#N)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000597669644 343601535 /nfs/dbraw/zinc/60/15/35/343601535.db2.gz CPEONAHJOLFYJR-YGRLFVJLSA-N 1 2 258.325 1.254 20 30 CDEDLO C[C@H](CC(=O)N1CCC[C@@H](CC#N)C1)n1cc[nH+]c1 ZINC000597900553 343665348 /nfs/dbraw/zinc/66/53/48/343665348.db2.gz CAMAZZJEIQEGRG-OLZOCXBDSA-N 1 2 260.341 1.986 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000598612590 343842378 /nfs/dbraw/zinc/84/23/78/343842378.db2.gz YMRMNZXLYLNUBS-GHMZBOCLSA-N 1 2 294.355 1.255 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000598612590 343842380 /nfs/dbraw/zinc/84/23/80/343842380.db2.gz YMRMNZXLYLNUBS-GHMZBOCLSA-N 1 2 294.355 1.255 20 30 CDEDLO N#Cc1ccc(-c2ccc(NCCOCCO)[nH+]c2)s1 ZINC000600778403 349880224 /nfs/dbraw/zinc/88/02/24/349880224.db2.gz YEXYTNGPGANLMP-UHFFFAOYSA-N 1 2 289.360 1.524 20 30 CDEDLO CCOCCOC1C[NH+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598700506 343889200 /nfs/dbraw/zinc/88/92/00/343889200.db2.gz CICHBFFMKHMPKC-LBPRGKRZSA-N 1 2 270.373 1.024 20 30 CDEDLO Cn1cc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)nn1 ZINC000619748432 349888304 /nfs/dbraw/zinc/88/83/04/349888304.db2.gz DYHPKWRXHUBYHM-UHFFFAOYSA-N 1 2 261.716 1.630 20 30 CDEDLO C[C@@H](C#N)N(C(=O)[C@@H]1OCC[C@@H]1Cn1cc[nH+]c1)C1CC1 ZINC000598770800 343901782 /nfs/dbraw/zinc/90/17/82/343901782.db2.gz PZHSTBBLHJDMLP-OUCADQQQSA-N 1 2 288.351 1.191 20 30 CDEDLO CC(C)(C)OC(=O)C(C)(C)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000599651204 344102866 /nfs/dbraw/zinc/10/28/66/344102866.db2.gz DQLBNOXCNSCFLS-NSHDSACASA-N 1 2 284.400 1.997 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000331752438 362336766 /nfs/dbraw/zinc/33/67/66/362336766.db2.gz KPRGDBCRFSOARP-RWMBFGLXSA-N 1 2 287.367 1.991 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccc(C#N)n1 ZINC000602423784 344420737 /nfs/dbraw/zinc/42/07/37/344420737.db2.gz GUJXUIHGCUKEKR-UHFFFAOYSA-N 1 2 299.378 1.001 20 30 CDEDLO CSc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)co1 ZINC000602333867 344402724 /nfs/dbraw/zinc/40/27/24/344402724.db2.gz QKIQEGGPPPQTGQ-LBPRGKRZSA-N 1 2 267.354 1.575 20 30 CDEDLO N#CCCN(CCC#N)Cc1cc2c(c[nH+]1)OCCO2 ZINC000602583255 344476462 /nfs/dbraw/zinc/47/64/62/344476462.db2.gz WHOLYWVTPQELKX-UHFFFAOYSA-N 1 2 272.308 1.482 20 30 CDEDLO CCN(CC)C(=O)CN1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602765226 344572358 /nfs/dbraw/zinc/57/23/58/344572358.db2.gz FYCPNRKIAXRLOI-UHFFFAOYSA-N 1 2 292.427 1.166 20 30 CDEDLO CCN(CC)C(=O)C[NH+]1CCN(CC2(CC#N)CC2)CC1 ZINC000602765226 344572360 /nfs/dbraw/zinc/57/23/60/344572360.db2.gz FYCPNRKIAXRLOI-UHFFFAOYSA-N 1 2 292.427 1.166 20 30 CDEDLO CC[N@H+](CCC#N)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602779193 344594984 /nfs/dbraw/zinc/59/49/84/344594984.db2.gz PILPXPVVIFYTEV-UHFFFAOYSA-N 1 2 251.290 1.335 20 30 CDEDLO CC[N@@H+](CCC#N)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602779193 344594985 /nfs/dbraw/zinc/59/49/85/344594985.db2.gz PILPXPVVIFYTEV-UHFFFAOYSA-N 1 2 251.290 1.335 20 30 CDEDLO COc1cncc(C[NH+]2CCN(CCC#N)CC2)c1C ZINC000602752310 344580601 /nfs/dbraw/zinc/58/06/01/344580601.db2.gz RWKQIYSKPQLPFB-UHFFFAOYSA-N 1 2 274.368 1.430 20 30 CDEDLO N#CCCN1CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000602797692 344588737 /nfs/dbraw/zinc/58/87/37/344588737.db2.gz JTAODIZUOGYHCG-AWEZNQCLSA-N 1 2 287.363 1.358 20 30 CDEDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000602806348 344615293 /nfs/dbraw/zinc/61/52/93/344615293.db2.gz RSBVESGFYITCIB-CYBMUJFWSA-N 1 2 277.328 1.725 20 30 CDEDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000602806348 344615294 /nfs/dbraw/zinc/61/52/94/344615294.db2.gz RSBVESGFYITCIB-CYBMUJFWSA-N 1 2 277.328 1.725 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)NCCc1cccs1 ZINC000602860659 344616724 /nfs/dbraw/zinc/61/67/24/344616724.db2.gz DBFCPTKIQGFMSJ-WDEREUQCSA-N 1 2 265.382 1.687 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000602869848 344640603 /nfs/dbraw/zinc/64/06/03/344640603.db2.gz PSPRNZNECZNAHS-NXEZZACHSA-N 1 2 292.314 1.754 20 30 CDEDLO COCC[N@H+](CC(=O)N(C)C)Cc1cccc(C#N)c1 ZINC000051920881 345207648 /nfs/dbraw/zinc/20/76/48/345207648.db2.gz WYVXTOGDWUCTKK-UHFFFAOYSA-N 1 2 275.352 1.095 20 30 CDEDLO COCC[N@@H+](CC(=O)N(C)C)Cc1cccc(C#N)c1 ZINC000051920881 345207650 /nfs/dbraw/zinc/20/76/50/345207650.db2.gz WYVXTOGDWUCTKK-UHFFFAOYSA-N 1 2 275.352 1.095 20 30 CDEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000618904910 345446286 /nfs/dbraw/zinc/44/62/86/345446286.db2.gz HIVMKMPXKMOLES-CYBMUJFWSA-N 1 2 291.376 1.434 20 30 CDEDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000618904910 345446289 /nfs/dbraw/zinc/44/62/89/345446289.db2.gz HIVMKMPXKMOLES-CYBMUJFWSA-N 1 2 291.376 1.434 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N[C@H]1CCn2c[nH+]cc2C1)OCC ZINC000623306459 346025932 /nfs/dbraw/zinc/02/59/32/346025932.db2.gz OCNHMGUCRNFIAF-GXTWGEPZSA-N 1 2 277.368 1.685 20 30 CDEDLO N#CC1(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCC1 ZINC000609875947 346030236 /nfs/dbraw/zinc/03/02/36/346030236.db2.gz KJFZTPPPPNVKOU-GFCCVEGCSA-N 1 2 258.325 1.740 20 30 CDEDLO CC(C)(C)[C@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000610659890 346335298 /nfs/dbraw/zinc/33/52/98/346335298.db2.gz ZJMROOHCXGMQOO-NSHDSACASA-N 1 2 284.323 1.330 20 30 CDEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000610930425 346492936 /nfs/dbraw/zinc/49/29/36/346492936.db2.gz XQIUVNWXDJLVNK-INIZCTEOSA-N 1 2 281.363 1.792 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000249298159 362757382 /nfs/dbraw/zinc/75/73/82/362757382.db2.gz NFQWNWXOHIVWED-XUJVJEKNSA-N 1 2 260.337 1.701 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000249298159 362757385 /nfs/dbraw/zinc/75/73/85/362757385.db2.gz NFQWNWXOHIVWED-XUJVJEKNSA-N 1 2 260.337 1.701 20 30 CDEDLO CC#CC[C@H](CO)[NH2+]Cc1csc(N(CC)C(C)=O)n1 ZINC000641768975 365835744 /nfs/dbraw/zinc/83/57/44/365835744.db2.gz MYYVNJFJBPYGSS-GFCCVEGCSA-N 1 2 295.408 1.380 20 30 CDEDLO N#Cc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)nn1 ZINC000611239399 346705377 /nfs/dbraw/zinc/70/53/77/346705377.db2.gz VSAIYROZNJCICO-UHFFFAOYSA-N 1 2 280.335 1.899 20 30 CDEDLO C=C[C@](C)(O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000612348084 347124780 /nfs/dbraw/zinc/12/47/80/347124780.db2.gz URURFHJPNXOYCS-SCRDCRAPSA-N 1 2 263.341 1.230 20 30 CDEDLO CC(C)[C@H](C#N)N1CC[NH+](CCOCC(F)F)CC1 ZINC000615793197 348730119 /nfs/dbraw/zinc/73/01/19/348730119.db2.gz CHIZTQGGCDDFAW-LBPRGKRZSA-N 1 2 275.343 1.434 20 30 CDEDLO CCc1ccccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414165915 362930005 /nfs/dbraw/zinc/93/00/05/362930005.db2.gz QIWAOVKGQROLNN-AWEZNQCLSA-N 1 2 262.353 1.834 20 30 CDEDLO CCc1ccccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414165915 362930012 /nfs/dbraw/zinc/93/00/12/362930012.db2.gz QIWAOVKGQROLNN-AWEZNQCLSA-N 1 2 262.353 1.834 20 30 CDEDLO C=CC[N@H+](CC(=O)N1CCC1)Cc1cccc(C#N)c1 ZINC000063300181 348921811 /nfs/dbraw/zinc/92/18/11/348921811.db2.gz BPMCGIDJLKZYAL-UHFFFAOYSA-N 1 2 269.348 1.779 20 30 CDEDLO C=CC[N@@H+](CC(=O)N1CCC1)Cc1cccc(C#N)c1 ZINC000063300181 348921814 /nfs/dbraw/zinc/92/18/14/348921814.db2.gz BPMCGIDJLKZYAL-UHFFFAOYSA-N 1 2 269.348 1.779 20 30 CDEDLO C=CCCCCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000353356577 362937540 /nfs/dbraw/zinc/93/75/40/362937540.db2.gz UFKOLSRMNJMKQH-UHFFFAOYSA-N 1 2 269.389 1.316 20 30 CDEDLO Cc1cnn(C[C@H]2C[N@H+](Cc3ccc(C#N)cc3)CCO2)c1 ZINC000105891507 186084276 /nfs/dbraw/zinc/08/42/76/186084276.db2.gz KLJDEBOIPDLKGD-QGZVFWFLSA-N 1 2 296.374 1.964 20 30 CDEDLO Cc1cnn(C[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)CCO2)c1 ZINC000105891507 186084277 /nfs/dbraw/zinc/08/42/77/186084277.db2.gz KLJDEBOIPDLKGD-QGZVFWFLSA-N 1 2 296.374 1.964 20 30 CDEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccsc1 ZINC000007927073 350505957 /nfs/dbraw/zinc/50/59/57/350505957.db2.gz ZOKWDFDJWOSSKV-CQSZACIVSA-N 1 2 277.393 1.988 20 30 CDEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccsc1 ZINC000007927073 350505960 /nfs/dbraw/zinc/50/59/60/350505960.db2.gz ZOKWDFDJWOSSKV-CQSZACIVSA-N 1 2 277.393 1.988 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1CCn2cncc2C1 ZINC000291455273 198026499 /nfs/dbraw/zinc/02/64/99/198026499.db2.gz CTWOPHUFVWMPGN-UHFFFAOYSA-N 1 2 267.332 1.911 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1CCn2cncc2C1 ZINC000291455273 198026501 /nfs/dbraw/zinc/02/65/01/198026501.db2.gz CTWOPHUFVWMPGN-UHFFFAOYSA-N 1 2 267.332 1.911 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1cccnc1 ZINC000134648392 187766842 /nfs/dbraw/zinc/76/68/42/187766842.db2.gz PIBFJEXSGFIGSM-UHFFFAOYSA-N 1 2 261.369 1.938 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1cccnc1 ZINC000134648392 187766843 /nfs/dbraw/zinc/76/68/43/187766843.db2.gz PIBFJEXSGFIGSM-UHFFFAOYSA-N 1 2 261.369 1.938 20 30 CDEDLO CCc1nnc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000292256402 198220019 /nfs/dbraw/zinc/22/00/19/198220019.db2.gz RDUVIBASYSGBHA-LBPRGKRZSA-N 1 2 299.334 1.552 20 30 CDEDLO CCc1nnc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000292256402 198220021 /nfs/dbraw/zinc/22/00/21/198220021.db2.gz RDUVIBASYSGBHA-LBPRGKRZSA-N 1 2 299.334 1.552 20 30 CDEDLO C[C@@H](O)C[C@H]1COCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000156968049 188290728 /nfs/dbraw/zinc/29/07/28/188290728.db2.gz IBHDWAXNYYKSQM-CJNGLKHVSA-N 1 2 277.339 1.649 20 30 CDEDLO C[C@@H](O)C[C@H]1COCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000156968049 188290730 /nfs/dbraw/zinc/29/07/30/188290730.db2.gz IBHDWAXNYYKSQM-CJNGLKHVSA-N 1 2 277.339 1.649 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1ccnn1CC ZINC000352364831 363278554 /nfs/dbraw/zinc/27/85/54/363278554.db2.gz JEZHLQNNQSSSGO-CYBMUJFWSA-N 1 2 291.399 1.343 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccnn1CC ZINC000352364831 363278557 /nfs/dbraw/zinc/27/85/57/363278557.db2.gz JEZHLQNNQSSSGO-CYBMUJFWSA-N 1 2 291.399 1.343 20 30 CDEDLO N#Cc1ccsc1NC(=O)CN1CCn2c[nH+]cc2C1 ZINC000590600487 358490308 /nfs/dbraw/zinc/49/03/08/358490308.db2.gz ZAGOBEVNJUUBNI-UHFFFAOYSA-N 1 2 287.348 1.271 20 30 CDEDLO C=CCCOCCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000271771773 191317859 /nfs/dbraw/zinc/31/78/59/191317859.db2.gz JVXGNNHVMWWMSS-UHFFFAOYSA-N 1 2 266.345 1.154 20 30 CDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cnccc1C#N ZINC000286176073 291067867 /nfs/dbraw/zinc/06/78/67/291067867.db2.gz AFCPJIVQBSJHAN-GXTWGEPZSA-N 1 2 272.352 1.253 20 30 CDEDLO N#CC1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCCCC1 ZINC000336368798 363455672 /nfs/dbraw/zinc/45/56/72/363455672.db2.gz WISPNUGSBRBRET-LBPRGKRZSA-N 1 2 272.352 1.788 20 30 CDEDLO CCC[N@H+](CC(N)=O)Cc1ccc(C#N)cc1Cl ZINC000336794525 356261767 /nfs/dbraw/zinc/26/17/67/356261767.db2.gz CPEVTTYGTUVZSM-UHFFFAOYSA-N 1 2 265.744 1.909 20 30 CDEDLO CCC[N@@H+](CC(N)=O)Cc1ccc(C#N)cc1Cl ZINC000336794525 356261770 /nfs/dbraw/zinc/26/17/70/356261770.db2.gz CPEVTTYGTUVZSM-UHFFFAOYSA-N 1 2 265.744 1.909 20 30 CDEDLO C[NH+](C)[C@H](CNS(=O)(=O)CC1(C#N)CC1)c1ccco1 ZINC000180387020 357267708 /nfs/dbraw/zinc/26/77/08/357267708.db2.gz LWVYMZHBRZJEFX-LLVKDONJSA-N 1 2 297.380 1.105 20 30 CDEDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000334540389 357598481 /nfs/dbraw/zinc/59/84/81/357598481.db2.gz BUGPHDSPKUBLFD-CYBMUJFWSA-N 1 2 292.770 1.715 20 30 CDEDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000334540389 357598483 /nfs/dbraw/zinc/59/84/83/357598483.db2.gz BUGPHDSPKUBLFD-CYBMUJFWSA-N 1 2 292.770 1.715 20 30 CDEDLO COCC[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075643851 357953157 /nfs/dbraw/zinc/95/31/57/357953157.db2.gz OIHHXQXXGDQJFK-UHFFFAOYSA-N 1 2 272.308 1.686 20 30 CDEDLO COCC[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075643851 357953162 /nfs/dbraw/zinc/95/31/62/357953162.db2.gz OIHHXQXXGDQJFK-UHFFFAOYSA-N 1 2 272.308 1.686 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000131703592 358339639 /nfs/dbraw/zinc/33/96/39/358339639.db2.gz YMKKOTVVHPPYGT-GFCCVEGCSA-N 1 2 295.408 1.671 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000131703592 358339640 /nfs/dbraw/zinc/33/96/40/358339640.db2.gz YMKKOTVVHPPYGT-GFCCVEGCSA-N 1 2 295.408 1.671 20 30 CDEDLO C#CCO[C@@H](C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000294860062 199218014 /nfs/dbraw/zinc/21/80/14/199218014.db2.gz OEGGVAXLLWLAEE-ZDUSSCGKSA-N 1 2 283.331 1.527 20 30 CDEDLO N#CC1CCC(CNC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493549362 366455200 /nfs/dbraw/zinc/45/52/00/366455200.db2.gz ICXYHHPDEKEMLC-AATRIKPKSA-N 1 2 258.325 1.869 20 30 CDEDLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000185124851 358775965 /nfs/dbraw/zinc/77/59/65/358775965.db2.gz JZJYMOMIMDCVEA-MLCYQJTMSA-N 1 2 268.357 1.896 20 30 CDEDLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000185124851 358775967 /nfs/dbraw/zinc/77/59/67/358775967.db2.gz JZJYMOMIMDCVEA-MLCYQJTMSA-N 1 2 268.357 1.896 20 30 CDEDLO C[C@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290378309 366481943 /nfs/dbraw/zinc/48/19/43/366481943.db2.gz RRIHTIDZNGYDRV-LBPRGKRZSA-N 1 2 293.392 1.601 20 30 CDEDLO C[C@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290378309 366481945 /nfs/dbraw/zinc/48/19/45/366481945.db2.gz RRIHTIDZNGYDRV-LBPRGKRZSA-N 1 2 293.392 1.601 20 30 CDEDLO C=CCN(C)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000346498747 359018467 /nfs/dbraw/zinc/01/84/67/359018467.db2.gz WZFYUASGWZGHJE-QWHCGFSZSA-N 1 2 259.353 1.798 20 30 CDEDLO C#CC[N@@H+](CC)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000266916910 359346009 /nfs/dbraw/zinc/34/60/09/359346009.db2.gz KSXZCIWQRUZKJO-HNNXBMFYSA-N 1 2 256.349 1.961 20 30 CDEDLO C#CC[N@H+](CC)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000266916910 359346014 /nfs/dbraw/zinc/34/60/14/359346014.db2.gz KSXZCIWQRUZKJO-HNNXBMFYSA-N 1 2 256.349 1.961 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)N(C)Cc1[nH+]ccn1C ZINC000270998509 359418282 /nfs/dbraw/zinc/41/82/82/359418282.db2.gz JPVJKPCOSNMRIG-CYBMUJFWSA-N 1 2 276.384 1.441 20 30 CDEDLO CC#CCNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000270539566 359405797 /nfs/dbraw/zinc/40/57/97/359405797.db2.gz BODWWELIHQYMPT-UHFFFAOYSA-N 1 2 286.379 1.894 20 30 CDEDLO C#CCN(C(=O)NCCCNc1cccc[nH+]1)C1CC1 ZINC000274164420 359492155 /nfs/dbraw/zinc/49/21/55/359492155.db2.gz VLEMJNWUBYMMJI-UHFFFAOYSA-N 1 2 272.352 1.691 20 30 CDEDLO C=CCCN(C)c1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000276291785 359544246 /nfs/dbraw/zinc/54/42/46/359544246.db2.gz JYIDLHJSSVGZTD-CYBMUJFWSA-N 1 2 276.384 1.698 20 30 CDEDLO C=CCCN(C)c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000276291785 359544251 /nfs/dbraw/zinc/54/42/51/359544251.db2.gz JYIDLHJSSVGZTD-CYBMUJFWSA-N 1 2 276.384 1.698 20 30 CDEDLO C=CCN(c1cc(N2CCOCC2)[nH+]cn1)C1CC1 ZINC000278284196 359578976 /nfs/dbraw/zinc/57/89/76/359578976.db2.gz BZUUQWJWYMTHJD-UHFFFAOYSA-N 1 2 260.341 1.468 20 30 CDEDLO C=CCN(c1cc(N2CCOCC2)nc[nH+]1)C1CC1 ZINC000278284196 359578981 /nfs/dbraw/zinc/57/89/81/359578981.db2.gz BZUUQWJWYMTHJD-UHFFFAOYSA-N 1 2 260.341 1.468 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)NC2CC2)n1 ZINC000279685821 359591760 /nfs/dbraw/zinc/59/17/60/359591760.db2.gz HAVMBPMBAVRCDD-LBPRGKRZSA-N 1 2 274.368 1.005 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)NC2CC2)n1 ZINC000279685821 359591763 /nfs/dbraw/zinc/59/17/63/359591763.db2.gz HAVMBPMBAVRCDD-LBPRGKRZSA-N 1 2 274.368 1.005 20 30 CDEDLO CC#CCN(C)C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000297505926 200213411 /nfs/dbraw/zinc/21/34/11/200213411.db2.gz XHJDQBHDEYEROC-UHFFFAOYSA-N 1 2 270.336 1.807 20 30 CDEDLO Cc1noc([C@H](C)[NH2+]CC(=O)NC2(C#N)CCCCC2)n1 ZINC000348093290 359828165 /nfs/dbraw/zinc/82/81/65/359828165.db2.gz RVTWGMLMZFQTLV-JTQLQIEISA-N 1 2 291.355 1.371 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+](CC#C)Cc1ccc(F)cc1 ZINC000297718894 200267747 /nfs/dbraw/zinc/26/77/47/200267747.db2.gz BHPMALULGPHXTI-ZDUSSCGKSA-N 1 2 272.323 1.399 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+](CC#C)Cc1ccc(F)cc1 ZINC000297718894 200267749 /nfs/dbraw/zinc/26/77/49/200267749.db2.gz BHPMALULGPHXTI-ZDUSSCGKSA-N 1 2 272.323 1.399 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2OC)C1=O ZINC000337200078 360021507 /nfs/dbraw/zinc/02/15/07/360021507.db2.gz BMIFRBAGCNSPAW-OAHLLOKOSA-N 1 2 299.374 1.786 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2OC)C1=O ZINC000337200078 360021509 /nfs/dbraw/zinc/02/15/09/360021509.db2.gz BMIFRBAGCNSPAW-OAHLLOKOSA-N 1 2 299.374 1.786 20 30 CDEDLO C=CCOCC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000337305668 360068510 /nfs/dbraw/zinc/06/85/10/360068510.db2.gz UELZJRZDNSGCOP-GFCCVEGCSA-N 1 2 263.341 1.388 20 30 CDEDLO C[C@H](NC(=O)c1cc(C#N)cs1)[C@H](C)[NH+]1CCOCC1 ZINC000177466025 189053497 /nfs/dbraw/zinc/05/34/97/189053497.db2.gz RAJIZJNIDTVIPK-QWRGUYRKSA-N 1 2 293.392 1.459 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338184315 360752272 /nfs/dbraw/zinc/75/22/72/360752272.db2.gz CSFWLUDKHIBEMB-CYBMUJFWSA-N 1 2 268.401 1.958 20 30 CDEDLO N#Cc1cccc([C@@H]2C[N@H+](CCn3cncn3)CCO2)c1 ZINC000367129881 360945883 /nfs/dbraw/zinc/94/58/83/360945883.db2.gz XGQSSTMGEBMPOO-HNNXBMFYSA-N 1 2 283.335 1.223 20 30 CDEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCn3cncn3)CCO2)c1 ZINC000367129881 360945888 /nfs/dbraw/zinc/94/58/88/360945888.db2.gz XGQSSTMGEBMPOO-HNNXBMFYSA-N 1 2 283.335 1.223 20 30 CDEDLO CCn1nccc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000179987164 189231220 /nfs/dbraw/zinc/23/12/20/189231220.db2.gz GIGVXHUXZDGUOP-UHFFFAOYSA-N 1 2 296.378 1.492 20 30 CDEDLO C[N@H+](CC(C)(C)C#N)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000433302292 361230345 /nfs/dbraw/zinc/23/03/45/361230345.db2.gz IOOOIYUGOYKNDE-SECBINFHSA-N 1 2 277.290 1.631 20 30 CDEDLO C[N@@H+](CC(C)(C)C#N)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000433302292 361230346 /nfs/dbraw/zinc/23/03/46/361230346.db2.gz IOOOIYUGOYKNDE-SECBINFHSA-N 1 2 277.290 1.631 20 30 CDEDLO C[N@H+](CC(=O)NCc1cccnc1)CC(C)(C)C#N ZINC000433307038 361231751 /nfs/dbraw/zinc/23/17/51/361231751.db2.gz ULBUWNNUVDEXHS-UHFFFAOYSA-N 1 2 260.341 1.179 20 30 CDEDLO C[N@@H+](CC(=O)NCc1cccnc1)CC(C)(C)C#N ZINC000433307038 361231757 /nfs/dbraw/zinc/23/17/57/361231757.db2.gz ULBUWNNUVDEXHS-UHFFFAOYSA-N 1 2 260.341 1.179 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000564738982 361260697 /nfs/dbraw/zinc/26/06/97/361260697.db2.gz SDOJMOOPPCKIMD-RRFJBIMHSA-N 1 2 296.411 1.195 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000564738982 361260706 /nfs/dbraw/zinc/26/07/06/361260706.db2.gz SDOJMOOPPCKIMD-RRFJBIMHSA-N 1 2 296.411 1.195 20 30 CDEDLO CC(C)CC[N@H+](CCC#N)C[C@H]1CN(C)C(=O)O1 ZINC000496264564 366734984 /nfs/dbraw/zinc/73/49/84/366734984.db2.gz MSFNYJOAQUJYAV-GFCCVEGCSA-N 1 2 253.346 1.699 20 30 CDEDLO CC(C)CC[N@@H+](CCC#N)C[C@H]1CN(C)C(=O)O1 ZINC000496264564 366734990 /nfs/dbraw/zinc/73/49/90/366734990.db2.gz MSFNYJOAQUJYAV-GFCCVEGCSA-N 1 2 253.346 1.699 20 30 CDEDLO Cn1c[nH+]cc1CN1CCN(c2cc(C#N)ccn2)CC1 ZINC000267725715 361384777 /nfs/dbraw/zinc/38/47/77/361384777.db2.gz VZCWDNZZIQLDTG-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO C#CC[C@@H]([NH2+]C1CC(NC(=O)OC(C)(C)C)C1)C(=O)OC ZINC000496360705 366785244 /nfs/dbraw/zinc/78/52/44/366785244.db2.gz KCQBCJFCYVNNIW-HTAVTVPLSA-N 1 2 296.367 1.197 20 30 CDEDLO CCc1nc2n(n1)C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)CC2 ZINC000329283927 361467739 /nfs/dbraw/zinc/46/77/39/361467739.db2.gz NRHMHHIAWJICPF-JTQLQIEISA-N 1 2 288.355 1.468 20 30 CDEDLO C[C@H](C(=O)NC1(c2nc[nH]n2)CCC1)[NH+]1CCSCC1 ZINC000329348419 361485948 /nfs/dbraw/zinc/48/59/48/361485948.db2.gz SCYSDQCFAYQBPS-SNVBAGLBSA-N 1 2 295.412 1.578 20 30 CDEDLO C[C@H](C(=O)NC1(c2nnc[nH]2)CCC1)[NH+]1CCSCC1 ZINC000329348419 361485953 /nfs/dbraw/zinc/48/59/53/361485953.db2.gz SCYSDQCFAYQBPS-SNVBAGLBSA-N 1 2 295.412 1.578 20 30 CDEDLO C[C@@H](C#N)NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000104332435 363956506 /nfs/dbraw/zinc/95/65/06/363956506.db2.gz LCYRTEKJIKYRMN-NTYUQYKDSA-N 1 2 266.304 1.914 20 30 CDEDLO CC(=O)N1C[C@@H]2CCC[C@H](Nc3cc(C)[nH+]cc3C#N)[C@H]2C1 ZINC000580948451 363956646 /nfs/dbraw/zinc/95/66/46/363956646.db2.gz DXOPEZJJZSPLBZ-BPUTZDHNSA-N 1 2 298.390 1.743 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1ccccc1COC ZINC000566428577 370718165 /nfs/dbraw/zinc/71/81/65/370718165.db2.gz GUXAQBAJDDPPHU-OAHLLOKOSA-N 1 2 289.379 1.731 20 30 CDEDLO CCc1cc(N2CC(O)(CC#N)C2)nc(-c2ccncc2)[nH+]1 ZINC000302415819 364498325 /nfs/dbraw/zinc/49/83/25/364498325.db2.gz HTBZQDTYULUMMJ-UHFFFAOYSA-N 1 2 295.346 1.566 20 30 CDEDLO C[N@H+](CCNC(=O)OC(C)(C)C)CC(C)(C)C#N ZINC000497070864 366866696 /nfs/dbraw/zinc/86/66/96/366866696.db2.gz BCDNFKNBPIQVEY-UHFFFAOYSA-N 1 2 255.362 1.993 20 30 CDEDLO C[N@@H+](CCNC(=O)OC(C)(C)C)CC(C)(C)C#N ZINC000497070864 366866700 /nfs/dbraw/zinc/86/67/00/366866700.db2.gz BCDNFKNBPIQVEY-UHFFFAOYSA-N 1 2 255.362 1.993 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COCc1ccccc1 ZINC000580144442 364709150 /nfs/dbraw/zinc/70/91/50/364709150.db2.gz NTIHUJSOPYKBRI-HNNXBMFYSA-N 1 2 275.352 1.163 20 30 CDEDLO CC(C)[C@@H](C(=O)N[C@H](C)C#N)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000249745130 365317830 /nfs/dbraw/zinc/31/78/30/365317830.db2.gz MRJRWVRVDAYNQC-VOAKCMCISA-N 1 2 267.373 1.148 20 30 CDEDLO CN(Cc1[nH+]ccn1C)c1ccc(Cl)c(C#N)n1 ZINC000270911846 366942405 /nfs/dbraw/zinc/94/24/05/366942405.db2.gz HJXRBMCLJHJQMF-UHFFFAOYSA-N 1 2 261.716 1.977 20 30 CDEDLO CC[C@H]1C[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1O ZINC000270886630 366943060 /nfs/dbraw/zinc/94/30/60/366943060.db2.gz KTAYEYTWXFVAGR-WCQYABFASA-N 1 2 291.351 1.409 20 30 CDEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1O ZINC000270886630 366943062 /nfs/dbraw/zinc/94/30/62/366943062.db2.gz KTAYEYTWXFVAGR-WCQYABFASA-N 1 2 291.351 1.409 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000357789763 367210359 /nfs/dbraw/zinc/21/03/59/367210359.db2.gz FLBAHDOSCKVLAO-UKRRQHHQSA-N 1 2 287.363 1.336 20 30 CDEDLO Cc1oc(NC(=O)C[NH+]2CCC(C)(O)CC2)c(C#N)c1C ZINC000161222485 367690678 /nfs/dbraw/zinc/69/06/78/367690678.db2.gz ZHKZURBCOSPVIT-UHFFFAOYSA-N 1 2 291.351 1.553 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@]1(C#N)CCOC1 ZINC000358454766 367695107 /nfs/dbraw/zinc/69/51/07/367695107.db2.gz WAQKOBCBOGXSPW-INIZCTEOSA-N 1 2 298.346 1.534 20 30 CDEDLO C#CCCS(=O)(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000375586141 370871152 /nfs/dbraw/zinc/87/11/52/370871152.db2.gz SXJANTRFOVUCGB-UHFFFAOYSA-N 1 2 289.360 1.315 20 30 CDEDLO CCn1cc(C[N@@H+](CC#Cc2ccccc2)CCO)cn1 ZINC000361355420 368769203 /nfs/dbraw/zinc/76/92/03/368769203.db2.gz HMQHFKHYTMZRRT-UHFFFAOYSA-N 1 2 283.375 1.749 20 30 CDEDLO CCn1cc(C[N@H+](CC#Cc2ccccc2)CCO)cn1 ZINC000361355420 368769206 /nfs/dbraw/zinc/76/92/06/368769206.db2.gz HMQHFKHYTMZRRT-UHFFFAOYSA-N 1 2 283.375 1.749 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)C[C@H](C)O1 ZINC000338366355 284121813 /nfs/dbraw/zinc/12/18/13/284121813.db2.gz IQUXYGBPHJODOW-HUBLWGQQSA-N 1 2 288.347 1.882 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)C[C@H](C)O1 ZINC000338366355 284121815 /nfs/dbraw/zinc/12/18/15/284121815.db2.gz IQUXYGBPHJODOW-HUBLWGQQSA-N 1 2 288.347 1.882 20 30 CDEDLO N#CCSCC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120529426 370417103 /nfs/dbraw/zinc/41/71/03/370417103.db2.gz RRNMLGGMJBXULH-GFCCVEGCSA-N 1 2 277.349 1.318 20 30 CDEDLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000160582398 370515858 /nfs/dbraw/zinc/51/58/58/370515858.db2.gz LJZWOBSKZVFZTO-UHFFFAOYSA-N 1 2 277.343 1.998 20 30 CDEDLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000160582398 370515862 /nfs/dbraw/zinc/51/58/62/370515862.db2.gz LJZWOBSKZVFZTO-UHFFFAOYSA-N 1 2 277.343 1.998 20 30 CDEDLO N#Cc1csc(C[NH2+][C@H]2CCCn3ncnc32)c1 ZINC000331630597 204027742 /nfs/dbraw/zinc/02/77/42/204027742.db2.gz ZDWOAYOJCKZZTC-NSHDSACASA-N 1 2 259.338 1.836 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3CCO[C@H](C#N)C3)ccn12 ZINC000568291888 371216359 /nfs/dbraw/zinc/21/63/59/371216359.db2.gz XJGUCDXDXDBFNX-GFCCVEGCSA-N 1 2 270.292 1.007 20 30 CDEDLO COc1ccc(CN2CC[C@@H]([NH2+]CCC#N)C2=O)cc1 ZINC000568873056 371233411 /nfs/dbraw/zinc/23/34/11/371233411.db2.gz JMQZAIIFRCDLPM-CQSZACIVSA-N 1 2 273.336 1.299 20 30 CDEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1(C#N)CCC1 ZINC000573773471 371652809 /nfs/dbraw/zinc/65/28/09/371652809.db2.gz RKNBFQQTPQUMTO-AVGNSLFASA-N 1 2 262.353 1.954 20 30 CDEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1(C#N)CCC1 ZINC000573773471 371652812 /nfs/dbraw/zinc/65/28/12/371652812.db2.gz RKNBFQQTPQUMTO-AVGNSLFASA-N 1 2 262.353 1.954 20 30 CDEDLO C=CCOCc1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000351026164 372350185 /nfs/dbraw/zinc/35/01/85/372350185.db2.gz PHHYZLMSMRVVLT-NWDGAFQWSA-N 1 2 279.340 1.698 20 30 CDEDLO C=CCOCc1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000351026164 372350195 /nfs/dbraw/zinc/35/01/95/372350195.db2.gz PHHYZLMSMRVVLT-NWDGAFQWSA-N 1 2 279.340 1.698 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(F)c1 ZINC000578859620 372547440 /nfs/dbraw/zinc/54/74/40/372547440.db2.gz RIXNZIFMLIOFGI-ZDUSSCGKSA-N 1 2 251.305 1.444 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(F)c1 ZINC000578859620 372547445 /nfs/dbraw/zinc/54/74/45/372547445.db2.gz RIXNZIFMLIOFGI-ZDUSSCGKSA-N 1 2 251.305 1.444 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)NCC[NH+]1CCOCC1 ZINC000183502414 372641856 /nfs/dbraw/zinc/64/18/56/372641856.db2.gz VIGKDACABNJJJJ-CYBMUJFWSA-N 1 2 269.389 1.363 20 30 CDEDLO CN1CC[N@H+](C)[C@@H](CNc2c(C#N)cnc3ccccc32)C1 ZINC000266378871 372777895 /nfs/dbraw/zinc/77/78/95/372777895.db2.gz MUGFXICWJQDPNN-AWEZNQCLSA-N 1 2 295.390 1.764 20 30 CDEDLO CN1CC[N@@H+](C)[C@@H](CNc2c(C#N)cnc3ccccc32)C1 ZINC000266378871 372777901 /nfs/dbraw/zinc/77/79/01/372777901.db2.gz MUGFXICWJQDPNN-AWEZNQCLSA-N 1 2 295.390 1.764 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000045911313 373060699 /nfs/dbraw/zinc/06/06/99/373060699.db2.gz GTUBFSJVCXTVHM-UHFFFAOYSA-N 1 2 266.728 1.852 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000045911313 373060702 /nfs/dbraw/zinc/06/07/02/373060702.db2.gz GTUBFSJVCXTVHM-UHFFFAOYSA-N 1 2 266.728 1.852 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCOC[C@]1(C)CC ZINC000340884991 373095889 /nfs/dbraw/zinc/09/58/89/373095889.db2.gz NYDCKLFAKSYSCQ-HNNXBMFYSA-N 1 2 266.385 1.688 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCOC[C@]1(C)CC ZINC000340884991 373095894 /nfs/dbraw/zinc/09/58/94/373095894.db2.gz NYDCKLFAKSYSCQ-HNNXBMFYSA-N 1 2 266.385 1.688 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)CNc1ccc(C#N)cc1 ZINC000348316790 373099915 /nfs/dbraw/zinc/09/99/15/373099915.db2.gz DOSAZFRQUGDVOU-UHFFFAOYSA-N 1 2 296.330 1.690 20 30 CDEDLO CCS(=O)(=O)CCCCC[N@H+](C)[C@H](C)CC#N ZINC000190693825 373400082 /nfs/dbraw/zinc/40/00/82/373400082.db2.gz PBWSMOQLXXZMJK-GFCCVEGCSA-N 1 2 260.403 1.825 20 30 CDEDLO CCS(=O)(=O)CCCCC[N@@H+](C)[C@H](C)CC#N ZINC000190693825 373400090 /nfs/dbraw/zinc/40/00/90/373400090.db2.gz PBWSMOQLXXZMJK-GFCCVEGCSA-N 1 2 260.403 1.825 20 30 CDEDLO Cc1nn(Cc2[nH+]ccn2CC(F)(F)F)c(N)c1C#N ZINC000348816336 373707881 /nfs/dbraw/zinc/70/78/81/373707881.db2.gz SLLUJYSCPOCRFT-UHFFFAOYSA-N 1 2 284.245 1.453 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)Cc1c(F)cccc1C#N ZINC000355254980 373824371 /nfs/dbraw/zinc/82/43/71/373824371.db2.gz LFIWNJFZJCUYSP-UHFFFAOYSA-N 1 2 272.283 1.290 20 30 CDEDLO C[C@H]1C[N@H+](Cc2cc(C#N)cs2)C[C@]2(CCOC2)O1 ZINC000355651029 373828560 /nfs/dbraw/zinc/82/85/60/373828560.db2.gz BCRGZRIXEHCQRO-FZMZJTMJSA-N 1 2 278.377 2.000 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)cs2)C[C@]2(CCOC2)O1 ZINC000355651029 373828574 /nfs/dbraw/zinc/82/85/74/373828574.db2.gz BCRGZRIXEHCQRO-FZMZJTMJSA-N 1 2 278.377 2.000 20 30 CDEDLO COc1cc(C#N)ccc1C[NH2+][C@H](CO)c1cnn(C)c1 ZINC000275164239 374691786 /nfs/dbraw/zinc/69/17/86/374691786.db2.gz JOAOMUHFKCVFFQ-CQSZACIVSA-N 1 2 286.335 1.124 20 30 CDEDLO CCN1CCN(C(=O)C(C)(C)C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328631250 374726666 /nfs/dbraw/zinc/72/66/66/374726666.db2.gz QRMKSGRIQVPIDU-LLVKDONJSA-N 1 2 275.356 1.165 20 30 CDEDLO N#Cc1ccncc1NCC1([NH+]2CCOCC2)CC1 ZINC000277478167 374789823 /nfs/dbraw/zinc/78/98/23/374789823.db2.gz QROKISGRYDJTIP-UHFFFAOYSA-N 1 2 258.325 1.230 20 30 CDEDLO N#Cc1csc(C[NH+]2CC(N3CCNC3=O)C2)c1 ZINC000330141866 374842456 /nfs/dbraw/zinc/84/24/56/374842456.db2.gz XYJCBOZNZZIDFY-UHFFFAOYSA-N 1 2 262.338 1.034 20 30 CDEDLO CN(CCC#N)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000343155493 374954205 /nfs/dbraw/zinc/95/42/05/374954205.db2.gz UIVAMECAPCOBFG-UHFFFAOYSA-N 1 2 259.300 1.336 20 30 CDEDLO N#Cc1ccccc1S(=O)(=O)NCC[N@H+]1CC=CCC1 ZINC000280283545 374990709 /nfs/dbraw/zinc/99/07/09/374990709.db2.gz PWVHZVUFCBHZFY-UHFFFAOYSA-N 1 2 291.376 1.098 20 30 CDEDLO N#Cc1ccccc1S(=O)(=O)NCC[N@@H+]1CC=CCC1 ZINC000280283545 374990715 /nfs/dbraw/zinc/99/07/15/374990715.db2.gz PWVHZVUFCBHZFY-UHFFFAOYSA-N 1 2 291.376 1.098 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CC=CCC2)cc1 ZINC000280375157 374994317 /nfs/dbraw/zinc/99/43/17/374994317.db2.gz YWDUITPVFITQHW-UHFFFAOYSA-N 1 2 291.376 1.098 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)cc1 ZINC000280375157 374994323 /nfs/dbraw/zinc/99/43/23/374994323.db2.gz YWDUITPVFITQHW-UHFFFAOYSA-N 1 2 291.376 1.098 20 30 CDEDLO CC(C)(C)n1ncnc1C[NH2+]Cc1ccc(C#N)o1 ZINC000282606234 375097047 /nfs/dbraw/zinc/09/70/47/375097047.db2.gz HXHZOCOCVVKAOR-UHFFFAOYSA-N 1 2 259.313 1.788 20 30 CDEDLO N#Cc1cccc(F)c1CC(=O)NCc1c[nH+]c[nH]1 ZINC000353281415 375230762 /nfs/dbraw/zinc/23/07/62/375230762.db2.gz BFCJMPTVWUDMQB-UHFFFAOYSA-N 1 2 258.256 1.279 20 30 CDEDLO N#Cc1cccc(F)c1CC(=O)NCc1c[nH]c[nH+]1 ZINC000353281415 375230769 /nfs/dbraw/zinc/23/07/69/375230769.db2.gz BFCJMPTVWUDMQB-UHFFFAOYSA-N 1 2 258.256 1.279 20 30 CDEDLO CCN(CC#N)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000049426467 375443165 /nfs/dbraw/zinc/44/31/65/375443165.db2.gz DETIBJVFXMQOKM-UHFFFAOYSA-N 1 2 256.309 1.717 20 30 CDEDLO Cc1ccoc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000427840075 247200884 /nfs/dbraw/zinc/20/08/84/247200884.db2.gz KUDRHBWLDZYSBY-AWEZNQCLSA-N 1 2 269.304 1.776 20 30 CDEDLO CN(CC(F)(F)F)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000057873382 375826300 /nfs/dbraw/zinc/82/63/00/375826300.db2.gz FLIXWJJDJIFEEO-UHFFFAOYSA-N 1 2 263.263 1.243 20 30 CDEDLO CCCCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000060855734 375853728 /nfs/dbraw/zinc/85/37/28/375853728.db2.gz RNNPTXWOADCCAD-UHFFFAOYSA-N 1 2 267.373 1.251 20 30 CDEDLO CC[C@@H]1COCCN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328603242 375922942 /nfs/dbraw/zinc/92/29/42/375922942.db2.gz HPWBRMOXZZQWPB-QWHCGFSZSA-N 1 2 292.383 1.785 20 30 CDEDLO CN(CC(=O)Nc1cccc(C#N)c1)Cc1[nH+]ccn1C ZINC000059382812 375931877 /nfs/dbraw/zinc/93/18/77/375931877.db2.gz QYTOUNVINQDNAT-UHFFFAOYSA-N 1 2 283.335 1.362 20 30 CDEDLO Cc1noc(CNC(=O)[C@H](C)[NH+]2CCSCC2)n1 ZINC000328895579 376003673 /nfs/dbraw/zinc/00/36/73/376003673.db2.gz BLKSRJHCNOBPCF-QMMMGPOBSA-N 1 2 270.358 1.272 20 30 CDEDLO CC(C)[N@H+](CC(=O)NCc1ccc(C#N)cc1)C1COC1 ZINC000295434440 376008857 /nfs/dbraw/zinc/00/88/57/376008857.db2.gz OGMCOIILZFUORQ-UHFFFAOYSA-N 1 2 287.363 1.284 20 30 CDEDLO CC(C)[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C1COC1 ZINC000295434440 376008868 /nfs/dbraw/zinc/00/88/68/376008868.db2.gz OGMCOIILZFUORQ-UHFFFAOYSA-N 1 2 287.363 1.284 20 30 CDEDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1cc(F)ccc1C#N)CC2 ZINC000160887996 376372157 /nfs/dbraw/zinc/37/21/57/376372157.db2.gz PQKXHDOHDKFNJM-UHFFFAOYSA-N 1 2 298.321 1.349 20 30 CDEDLO Cn1nc2c(cc1=O)C[N@H+](Cc1cc(F)ccc1C#N)CC2 ZINC000160887996 376372160 /nfs/dbraw/zinc/37/21/60/376372160.db2.gz PQKXHDOHDKFNJM-UHFFFAOYSA-N 1 2 298.321 1.349 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)CCC#N)C[C@H](CC)O1 ZINC000420964603 376517931 /nfs/dbraw/zinc/51/79/31/376517931.db2.gz WWQRTKVDIWWYKS-OKILXGFUSA-N 1 2 281.400 1.638 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N(CC)CCC#N)C[C@H](CC)O1 ZINC000420964603 376517937 /nfs/dbraw/zinc/51/79/37/376517937.db2.gz WWQRTKVDIWWYKS-OKILXGFUSA-N 1 2 281.400 1.638 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@H+](CCC#N)CCC(C)C ZINC000072690970 376801878 /nfs/dbraw/zinc/80/18/78/376801878.db2.gz WVUWQEZISMDJJZ-UHFFFAOYSA-N 1 2 296.415 1.874 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000072690970 376801885 /nfs/dbraw/zinc/80/18/85/376801885.db2.gz WVUWQEZISMDJJZ-UHFFFAOYSA-N 1 2 296.415 1.874 20 30 CDEDLO C=CC[N@@H+](C)Cc1nnnn1-c1c(C)cccc1C ZINC000127140443 377063837 /nfs/dbraw/zinc/06/38/37/377063837.db2.gz BLGLNEJKAXQDFO-UHFFFAOYSA-N 1 2 257.341 1.897 20 30 CDEDLO C=CC[N@H+](C)Cc1nnnn1-c1c(C)cccc1C ZINC000127140443 377063845 /nfs/dbraw/zinc/06/38/45/377063845.db2.gz BLGLNEJKAXQDFO-UHFFFAOYSA-N 1 2 257.341 1.897 20 30 CDEDLO Cn1cc(Br)c(C[NH2+][C@@H]2CC[C@H](C#N)C2)n1 ZINC000334678761 377165490 /nfs/dbraw/zinc/16/54/90/377165490.db2.gz OIGQSGJVQCUDBW-DTWKUNHWSA-N 1 2 283.173 1.964 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000249349895 377423285 /nfs/dbraw/zinc/42/32/85/377423285.db2.gz WHVLEDJSWLZESN-CHWSQXEVSA-N 1 2 252.358 1.296 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000249349895 377423289 /nfs/dbraw/zinc/42/32/89/377423289.db2.gz WHVLEDJSWLZESN-CHWSQXEVSA-N 1 2 252.358 1.296 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000571792638 377535692 /nfs/dbraw/zinc/53/56/92/377535692.db2.gz YMHZLUWFDZJMAF-WDEREUQCSA-N 1 2 297.318 1.081 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)Cc1ccc(OC)c(O)c1 ZINC000080962669 377824355 /nfs/dbraw/zinc/82/43/55/377824355.db2.gz ZGHGJEPLKJLASH-UHFFFAOYSA-N 1 2 264.325 1.135 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)Cc1ccc(OC)c(O)c1 ZINC000080962669 377824367 /nfs/dbraw/zinc/82/43/67/377824367.db2.gz ZGHGJEPLKJLASH-UHFFFAOYSA-N 1 2 264.325 1.135 20 30 CDEDLO C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000572291548 377874417 /nfs/dbraw/zinc/87/44/17/377874417.db2.gz QYGIYRSJNLZIIZ-IPYPFGDCSA-N 1 2 281.400 1.542 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000280553349 377966130 /nfs/dbraw/zinc/96/61/30/377966130.db2.gz JKJASOASZSGVAX-KGLIPLIRSA-N 1 2 292.383 1.554 20 30 CDEDLO C#C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000280987242 377986867 /nfs/dbraw/zinc/98/68/67/377986867.db2.gz BWGBODJDAFSPSG-CQSZACIVSA-N 1 2 286.379 1.571 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc([C@H](C)O)s2)C1=O ZINC000289736203 378347528 /nfs/dbraw/zinc/34/75/28/378347528.db2.gz PEKHYWKOBLEZMN-CMPLNLGQSA-N 1 2 295.408 1.415 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc([C@H](C)O)s2)C1=O ZINC000289736203 378347536 /nfs/dbraw/zinc/34/75/36/378347536.db2.gz PEKHYWKOBLEZMN-CMPLNLGQSA-N 1 2 295.408 1.415 20 30 CDEDLO COCC[C@H]1COCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000291114488 378451504 /nfs/dbraw/zinc/45/15/04/378451504.db2.gz AIPHXAOJHMMVFM-INIZCTEOSA-N 1 2 277.339 1.915 20 30 CDEDLO COCC[C@H]1COCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000291114488 378451508 /nfs/dbraw/zinc/45/15/08/378451508.db2.gz AIPHXAOJHMMVFM-INIZCTEOSA-N 1 2 277.339 1.915 20 30 CDEDLO N#Cc1csc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)c1 ZINC000245567666 378498791 /nfs/dbraw/zinc/49/87/91/378498791.db2.gz UQMZLLLCJLDHNF-QWHCGFSZSA-N 1 2 275.377 1.863 20 30 CDEDLO N#Cc1csc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)c1 ZINC000245567666 378498795 /nfs/dbraw/zinc/49/87/95/378498795.db2.gz UQMZLLLCJLDHNF-QWHCGFSZSA-N 1 2 275.377 1.863 20 30 CDEDLO C=CCCCS(=O)(=O)N(C)CCCn1cc[nH+]c1 ZINC000292772020 378514051 /nfs/dbraw/zinc/51/40/51/378514051.db2.gz XMFVJBPUGLBAAL-UHFFFAOYSA-N 1 2 271.386 1.501 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000292976747 378530760 /nfs/dbraw/zinc/53/07/60/378530760.db2.gz AZSBVOOIWAOQQJ-LBPRGKRZSA-N 1 2 287.363 1.328 20 30 CDEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000292976747 378530766 /nfs/dbraw/zinc/53/07/66/378530766.db2.gz AZSBVOOIWAOQQJ-LBPRGKRZSA-N 1 2 287.363 1.328 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000293001255 378533793 /nfs/dbraw/zinc/53/37/93/378533793.db2.gz CVMHPEAWCMVLJI-UHFFFAOYSA-N 1 2 275.308 1.797 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000293001255 378533799 /nfs/dbraw/zinc/53/37/99/378533799.db2.gz CVMHPEAWCMVLJI-UHFFFAOYSA-N 1 2 275.308 1.797 20 30 CDEDLO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CC2(C#N)CC2)c1 ZINC000343582954 378931716 /nfs/dbraw/zinc/93/17/16/378931716.db2.gz QZBIEBLTWXLBRR-LLVKDONJSA-N 1 2 293.392 1.549 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000278700854 194110628 /nfs/dbraw/zinc/11/06/28/194110628.db2.gz BERODUOPPCRURV-RISCZKNCSA-N 1 2 263.341 1.790 20 30 CDEDLO N#Cc1ccc(NCCC[N@@H+]2CCNC(=O)C2)cc1Cl ZINC000278858604 194186336 /nfs/dbraw/zinc/18/63/36/194186336.db2.gz YBVVOHDXNICREN-UHFFFAOYSA-N 1 2 292.770 1.445 20 30 CDEDLO N#Cc1ccc(NCCC[N@H+]2CCNC(=O)C2)cc1Cl ZINC000278858604 194186339 /nfs/dbraw/zinc/18/63/39/194186339.db2.gz YBVVOHDXNICREN-UHFFFAOYSA-N 1 2 292.770 1.445 20 30 CDEDLO C[C@H](CC(=O)N(CCC#N)CCC#N)n1cc[nH+]c1 ZINC000574759994 335045508 /nfs/dbraw/zinc/04/55/08/335045508.db2.gz NKLPUJXISMBROC-GFCCVEGCSA-N 1 2 259.313 1.490 20 30 CDEDLO C=CCN1CC[C@H](Sc2nc(N)cc(C)[nH+]2)C1=O ZINC000281002893 195063875 /nfs/dbraw/zinc/06/38/75/195063875.db2.gz NUPQWGIJBDJJOY-VIFPVBQESA-N 1 2 264.354 1.246 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)/C=C/c1cccc(C#N)c1 ZINC000491449622 253082379 /nfs/dbraw/zinc/08/23/79/253082379.db2.gz QCNZZODZBDMIMQ-AATRIKPKSA-N 1 2 266.304 1.621 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1cccc(C#N)c1 ZINC000491188062 253066510 /nfs/dbraw/zinc/06/65/10/253066510.db2.gz WBGABXJMYCNLEG-GFUIURDCSA-N 1 2 280.331 1.973 20 30 CDEDLO COCc1nc(C)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)s1 ZINC000574814683 335049591 /nfs/dbraw/zinc/04/95/91/335049591.db2.gz KQEIULLSRZXMJB-CYBMUJFWSA-N 1 2 296.396 1.172 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C(C)(C)COC ZINC001663230609 1172656908 /nfs/dbraw/zinc/65/69/08/1172656908.db2.gz LSNBDSZQOMULMR-UHFFFAOYSA-N 1 2 262.781 1.460 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C(C)(C)COC ZINC001663230609 1172656910 /nfs/dbraw/zinc/65/69/10/1172656910.db2.gz LSNBDSZQOMULMR-UHFFFAOYSA-N 1 2 262.781 1.460 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](CCC)C(=O)OCC)C1=O ZINC000281439148 195241351 /nfs/dbraw/zinc/24/13/51/195241351.db2.gz TUXDTEJLPODKIC-OLZOCXBDSA-N 1 2 282.384 1.437 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](CCC)C(=O)OCC)C1=O ZINC000281439148 195241352 /nfs/dbraw/zinc/24/13/52/195241352.db2.gz TUXDTEJLPODKIC-OLZOCXBDSA-N 1 2 282.384 1.437 20 30 CDEDLO C=C[C@H](C)NC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000354267662 260035729 /nfs/dbraw/zinc/03/57/29/260035729.db2.gz VBSQVROJDFABOF-RYUDHWBXSA-N 1 2 277.372 1.372 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000042324399 390481554 /nfs/dbraw/zinc/48/15/54/390481554.db2.gz UVNQEMSWSKNBQT-JSGCOSHPSA-N 1 2 273.336 1.389 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000042324399 390481558 /nfs/dbraw/zinc/48/15/58/390481558.db2.gz UVNQEMSWSKNBQT-JSGCOSHPSA-N 1 2 273.336 1.389 20 30 CDEDLO Cn1c[nH+]cc1CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000121606142 390889772 /nfs/dbraw/zinc/88/97/72/390889772.db2.gz QNAGNGNWECATOF-KRWDZBQOSA-N 1 2 295.390 1.803 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCOC2(CCC2)C1 ZINC000154190927 390911975 /nfs/dbraw/zinc/91/19/75/390911975.db2.gz RCORMEHDMPQJRL-AWEZNQCLSA-N 1 2 279.384 1.296 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCOC2(CCC2)C1 ZINC000154190927 390911976 /nfs/dbraw/zinc/91/19/76/390911976.db2.gz RCORMEHDMPQJRL-AWEZNQCLSA-N 1 2 279.384 1.296 20 30 CDEDLO C[C@H]1CCN(S(=O)(=O)CCCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000151279784 390918384 /nfs/dbraw/zinc/91/83/84/390918384.db2.gz DDXJYCAHONKGDJ-STQMWFEESA-N 1 2 296.396 1.400 20 30 CDEDLO NC(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000158084344 390927632 /nfs/dbraw/zinc/92/76/32/390927632.db2.gz AUSWESCFBDHWRO-UHFFFAOYSA-N 1 2 275.327 1.264 20 30 CDEDLO NC(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000158084344 390927633 /nfs/dbraw/zinc/92/76/33/390927633.db2.gz AUSWESCFBDHWRO-UHFFFAOYSA-N 1 2 275.327 1.264 20 30 CDEDLO C[C@H](NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCOC1 ZINC000329459727 390992051 /nfs/dbraw/zinc/99/20/51/390992051.db2.gz RPZULAOCLRRLTL-QJPTWQEYSA-N 1 2 278.356 1.127 20 30 CDEDLO C[C@H]([NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCOC1 ZINC000329459727 390992055 /nfs/dbraw/zinc/99/20/55/390992055.db2.gz RPZULAOCLRRLTL-QJPTWQEYSA-N 1 2 278.356 1.127 20 30 CDEDLO CN(C[C@H]1CCCO1)C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000329506643 391001402 /nfs/dbraw/zinc/00/14/02/391001402.db2.gz IWULSVFAQKFJIV-CHWSQXEVSA-N 1 2 292.383 1.785 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000329618528 391033961 /nfs/dbraw/zinc/03/39/61/391033961.db2.gz QMNCVMILYHSIMG-RYUDHWBXSA-N 1 2 278.356 1.193 20 30 CDEDLO CN(C[C@H]1CCCOC1)C(=O)NCc1c[nH+]cn1C ZINC000329636782 391055870 /nfs/dbraw/zinc/05/58/70/391055870.db2.gz YJDBXQXACINRFJ-LLVKDONJSA-N 1 2 266.345 1.193 20 30 CDEDLO C#CCN(CC#N)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000374114776 391148918 /nfs/dbraw/zinc/14/89/18/391148918.db2.gz RLXJEOIVNRXPMQ-LBPRGKRZSA-N 1 2 284.363 1.623 20 30 CDEDLO C#CCN(CC#N)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000374114776 391148921 /nfs/dbraw/zinc/14/89/21/391148921.db2.gz RLXJEOIVNRXPMQ-LBPRGKRZSA-N 1 2 284.363 1.623 20 30 CDEDLO Cc1cccn2cc(CC(=O)N3CCC(C#N)CC3)[nH+]c12 ZINC000336358583 391138888 /nfs/dbraw/zinc/13/88/88/391138888.db2.gz LNSXWGSMPCTTJJ-UHFFFAOYSA-N 1 2 282.347 1.947 20 30 CDEDLO Cc1cnc(CO[NH+]=C(N)[C@@H](C)OCC(C)C)o1 ZINC000266200486 391170710 /nfs/dbraw/zinc/17/07/10/391170710.db2.gz LEGOLNLYVBCRDX-SNVBAGLBSA-N 1 2 255.318 1.833 20 30 CDEDLO C[C@@H]1C[NH+](CCN(C)C(=O)C2(C#N)CCCC2)C[C@@H](C)O1 ZINC000345397481 391174854 /nfs/dbraw/zinc/17/48/54/391174854.db2.gz JAZDLNRKIUXUPX-ZIAGYGMSSA-N 1 2 293.411 1.638 20 30 CDEDLO N#C[C@H]1COCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000267136049 391188477 /nfs/dbraw/zinc/18/84/77/391188477.db2.gz GIHCBKDYYOOYSM-HNNXBMFYSA-N 1 2 296.330 1.296 20 30 CDEDLO CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccncc1 ZINC000267946894 391206793 /nfs/dbraw/zinc/20/67/93/391206793.db2.gz VOSHIXMQMXZEDS-MRXNPFEDSA-N 1 2 286.379 1.712 20 30 CDEDLO CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccncc1 ZINC000267946894 391206794 /nfs/dbraw/zinc/20/67/94/391206794.db2.gz VOSHIXMQMXZEDS-MRXNPFEDSA-N 1 2 286.379 1.712 20 30 CDEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC2(C#N)CCC2)C1 ZINC000331947048 391273274 /nfs/dbraw/zinc/27/32/74/391273274.db2.gz KBXQABSKHFXDDW-GFCCVEGCSA-N 1 2 285.413 1.036 20 30 CDEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CC2(C#N)CCC2)C1 ZINC000331947048 391273281 /nfs/dbraw/zinc/27/32/81/391273281.db2.gz KBXQABSKHFXDDW-GFCCVEGCSA-N 1 2 285.413 1.036 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2conc2CC)C1=O ZINC000339606019 391317379 /nfs/dbraw/zinc/31/73/79/391317379.db2.gz BQLPHDVXGTXKGT-CYBMUJFWSA-N 1 2 263.341 1.456 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2conc2CC)C1=O ZINC000339606019 391317384 /nfs/dbraw/zinc/31/73/84/391317384.db2.gz BQLPHDVXGTXKGT-CYBMUJFWSA-N 1 2 263.341 1.456 20 30 CDEDLO CC[N@@H+](CC(=O)NCc1cccc(C#N)c1)C[C@H](C)C#N ZINC000353285477 391321942 /nfs/dbraw/zinc/32/19/42/391321942.db2.gz YITUIZAAUJGIMA-CYBMUJFWSA-N 1 2 284.363 1.656 20 30 CDEDLO CC[N@H+](CC(=O)NCc1cccc(C#N)c1)C[C@H](C)C#N ZINC000353285477 391321947 /nfs/dbraw/zinc/32/19/47/391321947.db2.gz YITUIZAAUJGIMA-CYBMUJFWSA-N 1 2 284.363 1.656 20 30 CDEDLO C#CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CCCC1 ZINC000371020041 391346339 /nfs/dbraw/zinc/34/63/39/391346339.db2.gz WCQXKQCBFBZKEU-CYBMUJFWSA-N 1 2 271.364 1.850 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCCCOc1ccccc1F ZINC000339766542 391355103 /nfs/dbraw/zinc/35/51/03/391355103.db2.gz QCVIWRPWFNZDBE-UHFFFAOYSA-N 1 2 292.354 1.666 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCCCOc1ccccc1F ZINC000339766542 391355107 /nfs/dbraw/zinc/35/51/07/391355107.db2.gz QCVIWRPWFNZDBE-UHFFFAOYSA-N 1 2 292.354 1.666 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347366382 391393954 /nfs/dbraw/zinc/39/39/54/391393954.db2.gz IWCZFLVSBXIRQQ-UKRRQHHQSA-N 1 2 286.391 1.596 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@](F)(CO)C1 ZINC000347366382 391393962 /nfs/dbraw/zinc/39/39/62/391393962.db2.gz IWCZFLVSBXIRQQ-UKRRQHHQSA-N 1 2 286.391 1.596 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000354266429 391412914 /nfs/dbraw/zinc/41/29/14/391412914.db2.gz NNKHMVCENHFBJH-SWLSCSKDSA-N 1 2 272.352 1.716 20 30 CDEDLO C=CC[NH+](CC=C)[C@H](C)c1nc(N)nc(N(C)C)n1 ZINC000411167387 391402207 /nfs/dbraw/zinc/40/22/07/391402207.db2.gz WZAVNQJSZTXNEQ-SNVBAGLBSA-N 1 2 262.361 1.085 20 30 CDEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(CC)C[C@H](C)C#N ZINC000330447384 391433823 /nfs/dbraw/zinc/43/38/23/391433823.db2.gz GBSVUMYITAPOMR-HZSPNIEDSA-N 1 2 281.400 1.494 20 30 CDEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(CC)C[C@H](C)C#N ZINC000330447384 391433825 /nfs/dbraw/zinc/43/38/25/391433825.db2.gz GBSVUMYITAPOMR-HZSPNIEDSA-N 1 2 281.400 1.494 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@@H+]1CCOC[C@]1(C)CC ZINC000330529367 391443700 /nfs/dbraw/zinc/44/37/00/391443700.db2.gz RWHDRNHJJMRLAV-AWEZNQCLSA-N 1 2 285.388 1.318 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@H+]1CCOC[C@]1(C)CC ZINC000330529367 391443702 /nfs/dbraw/zinc/44/37/02/391443702.db2.gz RWHDRNHJJMRLAV-AWEZNQCLSA-N 1 2 285.388 1.318 20 30 CDEDLO C=CCOCC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000354377647 391416848 /nfs/dbraw/zinc/41/68/48/391416848.db2.gz FRUWKZWSYJKIJE-UHFFFAOYSA-N 1 2 263.341 1.081 20 30 CDEDLO N#C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1F ZINC000349424771 391550497 /nfs/dbraw/zinc/55/04/97/391550497.db2.gz FCNLLZRKTUTQFP-IAQYHMDHSA-N 1 2 298.321 1.966 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000412378402 391617984 /nfs/dbraw/zinc/61/79/84/391617984.db2.gz ZQNQULFFBOYXHD-UONOGXRCSA-N 1 2 296.411 1.590 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000412378402 391617986 /nfs/dbraw/zinc/61/79/86/391617986.db2.gz ZQNQULFFBOYXHD-UONOGXRCSA-N 1 2 296.411 1.590 20 30 CDEDLO CC(C)[NH+]1CC(NC(=O)c2ncc(C#N)cc2Cl)C1 ZINC000457726048 391572984 /nfs/dbraw/zinc/57/29/84/391572984.db2.gz RBWCJHQBIRNLNW-UHFFFAOYSA-N 1 2 278.743 1.429 20 30 CDEDLO C=CCN(CCC#N)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000359447865 391596547 /nfs/dbraw/zinc/59/65/47/391596547.db2.gz UGTLXHGOCSLUMI-NSHDSACASA-N 1 2 258.325 1.758 20 30 CDEDLO CCC(CC)[C@H](C(=O)NCC(C)(C)C#N)[NH+]1CCOCC1 ZINC000359650003 391607306 /nfs/dbraw/zinc/60/73/06/391607306.db2.gz NNICZWNHRBKFCR-CQSZACIVSA-N 1 2 295.427 1.789 20 30 CDEDLO C[C@H]1C[C@@]1(C#N)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000451288087 391654680 /nfs/dbraw/zinc/65/46/80/391654680.db2.gz RXWBTMYZBLJZPF-XPCVCDNBSA-N 1 2 279.384 1.104 20 30 CDEDLO C[C@H]1C[C@@]1(C#N)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000451288087 391654684 /nfs/dbraw/zinc/65/46/84/391654684.db2.gz RXWBTMYZBLJZPF-XPCVCDNBSA-N 1 2 279.384 1.104 20 30 CDEDLO C=CCN1CC[C@@H]([NH2+]C(C)(C)c2nccs2)C1=O ZINC000281948829 391665860 /nfs/dbraw/zinc/66/58/60/391665860.db2.gz JKYXAXWIACJFEB-SNVBAGLBSA-N 1 2 265.382 1.755 20 30 CDEDLO C#C[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)C(C)C ZINC000281936259 391674955 /nfs/dbraw/zinc/67/49/55/391674955.db2.gz HPMAIWGQIJQAFQ-ZDUSSCGKSA-N 1 2 268.320 1.655 20 30 CDEDLO C=CCOC[C@H]([NH2+]C1CCC(OC)CC1)C(=O)OC ZINC000361112791 391683563 /nfs/dbraw/zinc/68/35/63/391683563.db2.gz JGFSDXCCVRFNKQ-BPCQOVAHSA-N 1 2 271.357 1.278 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCC(=O)CC)c1 ZINC000190192805 130071703 /nfs/dbraw/zinc/07/17/03/130071703.db2.gz WAFRGKKDWJQSAY-UHFFFAOYSA-N 1 2 272.348 1.907 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCC(=O)CC)c1 ZINC000190192805 130071705 /nfs/dbraw/zinc/07/17/05/130071705.db2.gz WAFRGKKDWJQSAY-UHFFFAOYSA-N 1 2 272.348 1.907 20 30 CDEDLO CC(C)[C@@H]1CCN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329745014 391768121 /nfs/dbraw/zinc/76/81/21/391768121.db2.gz QYGSIDANHRMHAW-GWCFXTLKSA-N 1 2 262.357 1.911 20 30 CDEDLO CCc1nc2n(n1)CCC[C@H]2[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191307782 130219236 /nfs/dbraw/zinc/21/92/36/130219236.db2.gz GYPASUCBBHTPBQ-CYBMUJFWSA-N 1 2 284.367 1.675 20 30 CDEDLO Cc1cc(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)no1 ZINC000329793998 391779717 /nfs/dbraw/zinc/77/97/17/391779717.db2.gz VUTVQFCWWUCXJW-MRVPVSSYSA-N 1 2 261.285 1.011 20 30 CDEDLO Cc1cc(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)no1 ZINC000329793998 391779719 /nfs/dbraw/zinc/77/97/19/391779719.db2.gz VUTVQFCWWUCXJW-MRVPVSSYSA-N 1 2 261.285 1.011 20 30 CDEDLO Cc1cnn(C[C@H]2C[N@H+](Cc3cc(C#N)n(C)c3)CCO2)c1 ZINC000191342193 130224205 /nfs/dbraw/zinc/22/42/05/130224205.db2.gz DDTUDKKQXOYUGY-MRXNPFEDSA-N 1 2 299.378 1.303 20 30 CDEDLO Cc1cnn(C[C@H]2C[N@@H+](Cc3cc(C#N)n(C)c3)CCO2)c1 ZINC000191342193 130224206 /nfs/dbraw/zinc/22/42/06/130224206.db2.gz DDTUDKKQXOYUGY-MRXNPFEDSA-N 1 2 299.378 1.303 20 30 CDEDLO O=C(NCC1([NH+]2CCOCC2)CC1)C1CCOCC1 ZINC000329907646 391797923 /nfs/dbraw/zinc/79/79/23/391797923.db2.gz LCEMWMNXZWMQDA-UHFFFAOYSA-N 1 2 268.357 1.234 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NC(=O)Nc1ccc(C)cc1C ZINC000192230984 130399372 /nfs/dbraw/zinc/39/93/72/130399372.db2.gz IQAGGXLOGSZWAE-UHFFFAOYSA-N 1 2 273.336 1.517 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NC(=O)Nc1ccc(C)cc1C ZINC000192230984 130399375 /nfs/dbraw/zinc/39/93/75/130399375.db2.gz IQAGGXLOGSZWAE-UHFFFAOYSA-N 1 2 273.336 1.517 20 30 CDEDLO Cc1noc(C)c1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330314335 391826535 /nfs/dbraw/zinc/82/65/35/391826535.db2.gz PDIKGKCQTBMNMI-SNVBAGLBSA-N 1 2 260.297 1.808 20 30 CDEDLO CC1(C)CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1C#N ZINC000333092153 391854977 /nfs/dbraw/zinc/85/49/77/391854977.db2.gz ZSRZDKISWUVIIZ-OCCSQVGLSA-N 1 2 286.379 1.986 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000334185247 392027390 /nfs/dbraw/zinc/02/73/90/392027390.db2.gz GGDVQOLYMNECPS-MFKMUULPSA-N 1 2 277.755 1.973 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000334297014 392064236 /nfs/dbraw/zinc/06/42/36/392064236.db2.gz CQTHIGAPRQQBNF-MLGOLLRUSA-N 1 2 267.332 1.908 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000334297014 392064239 /nfs/dbraw/zinc/06/42/39/392064239.db2.gz CQTHIGAPRQQBNF-MLGOLLRUSA-N 1 2 267.332 1.908 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)NCCCNc1cccc[nH+]1 ZINC000520437026 392856233 /nfs/dbraw/zinc/85/62/33/392856233.db2.gz OALUGTMOENLXKB-UHFFFAOYSA-N 1 2 295.346 1.889 20 30 CDEDLO Cc1cc(N[C@H]2CC(=O)N3CCCC[C@H]23)c(C#N)c[nH+]1 ZINC000521033582 392863499 /nfs/dbraw/zinc/86/34/99/392863499.db2.gz MZRWXNMOUVRHJT-UONOGXRCSA-N 1 2 270.336 1.249 20 30 CDEDLO Cc1cc(N2CC[NH+](Cc3ccccn3)CC2)c(C#N)cn1 ZINC000425206798 392994085 /nfs/dbraw/zinc/99/40/85/392994085.db2.gz KMMBMLOWAHOYAK-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO CSC[C@H](CCO)Nc1cc(C)[nH+]cc1C#N ZINC000425223778 392997090 /nfs/dbraw/zinc/99/70/90/392997090.db2.gz CTXVPFXIDDTCOW-NSHDSACASA-N 1 2 251.355 1.210 20 30 CDEDLO COCCn1cc(CNc2cc(C)[nH+]cc2C#N)cn1 ZINC000425253073 393005998 /nfs/dbraw/zinc/00/59/98/393005998.db2.gz CCZFOGCHKASTHI-UHFFFAOYSA-N 1 2 271.324 1.139 20 30 CDEDLO CC(=O)[C@H](NC(=O)C[NH+]1CCC(CCC#N)CC1)C(C)C ZINC000645951626 393427567 /nfs/dbraw/zinc/42/75/67/393427567.db2.gz KAYWAMCYQUIXSF-MRXNPFEDSA-N 1 2 293.411 1.732 20 30 CDEDLO C=CCCNc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000664226912 413159036 /nfs/dbraw/zinc/15/90/36/413159036.db2.gz TYLJEFJWTPFDGI-RYUDHWBXSA-N 1 2 262.357 1.672 20 30 CDEDLO C=CCCNc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000664226912 413159041 /nfs/dbraw/zinc/15/90/41/413159041.db2.gz TYLJEFJWTPFDGI-RYUDHWBXSA-N 1 2 262.357 1.672 20 30 CDEDLO C=CCCCC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000345419402 397641662 /nfs/dbraw/zinc/64/16/62/397641662.db2.gz VCUSIBZKMCUAPB-ZDUSSCGKSA-N 1 2 254.374 1.522 20 30 CDEDLO N#Cc1c(C[N@H+]2CCSC[C@@H]2CO)cn2ccccc12 ZINC000335118816 150306307 /nfs/dbraw/zinc/30/63/07/150306307.db2.gz WWAJELBROJLBNO-ZDUSSCGKSA-N 1 2 287.388 1.721 20 30 CDEDLO N#Cc1c(C[N@@H+]2CCSC[C@@H]2CO)cn2ccccc12 ZINC000335118816 150306308 /nfs/dbraw/zinc/30/63/08/150306308.db2.gz WWAJELBROJLBNO-ZDUSSCGKSA-N 1 2 287.388 1.721 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000335957596 151148815 /nfs/dbraw/zinc/14/88/15/151148815.db2.gz KWDDWRYGBNFSHV-NSHDSACASA-N 1 2 255.281 1.587 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[NH+]1[C@H](CO)CC[C@H]1CO ZINC000347298162 153477868 /nfs/dbraw/zinc/47/78/68/153477868.db2.gz XDQCMLHNFJFUTQ-KBPBESRZSA-N 1 2 280.755 1.529 20 30 CDEDLO CC#CCC[N@H+]1CCc2c(cccc2S(=O)(=O)NC)C1 ZINC000284713935 196116344 /nfs/dbraw/zinc/11/63/44/196116344.db2.gz JGGRHEQHCVNHPK-UHFFFAOYSA-N 1 2 292.404 1.366 20 30 CDEDLO CC#CCC[N@@H+]1CCc2c(cccc2S(=O)(=O)NC)C1 ZINC000284713935 196116346 /nfs/dbraw/zinc/11/63/46/196116346.db2.gz JGGRHEQHCVNHPK-UHFFFAOYSA-N 1 2 292.404 1.366 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000285245926 196231891 /nfs/dbraw/zinc/23/18/91/196231891.db2.gz PTLGPLVULJEYNT-ZNMIVQPWSA-N 1 2 299.378 1.860 20 30 CDEDLO C=CC[N@H+](Cc1nnnn1-c1ccccc1)[C@@H](C)COC ZINC000661248408 413919318 /nfs/dbraw/zinc/91/93/18/413919318.db2.gz UFGYMVHNKPNCCM-ZDUSSCGKSA-N 1 2 287.367 1.685 20 30 CDEDLO C=CC[N@@H+](Cc1nnnn1-c1ccccc1)[C@@H](C)COC ZINC000661248408 413919327 /nfs/dbraw/zinc/91/93/27/413919327.db2.gz UFGYMVHNKPNCCM-ZDUSSCGKSA-N 1 2 287.367 1.685 20 30 CDEDLO C[S@](=O)C[C@H]([NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000347656766 226228030 /nfs/dbraw/zinc/22/80/30/226228030.db2.gz UGGLGVDWIGXMLN-UGSOOPFHSA-N 1 2 262.378 2.000 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCOCC2(CC2)C1 ZINC000329458914 227528398 /nfs/dbraw/zinc/52/83/98/227528398.db2.gz OONHRNPXWFQMFD-UHFFFAOYSA-N 1 2 292.383 1.737 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCOCC2(CC2)C1 ZINC000329458914 227528400 /nfs/dbraw/zinc/52/84/00/227528400.db2.gz OONHRNPXWFQMFD-UHFFFAOYSA-N 1 2 292.383 1.737 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC2(C1)CCOCC2 ZINC000330192917 228061650 /nfs/dbraw/zinc/06/16/50/228061650.db2.gz OAELJHDBFAGLRC-GFCCVEGCSA-N 1 2 278.356 1.298 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CC2(C1)CCOCC2 ZINC000330192917 228061653 /nfs/dbraw/zinc/06/16/53/228061653.db2.gz OAELJHDBFAGLRC-GFCCVEGCSA-N 1 2 278.356 1.298 20 30 CDEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC(=O)Nc2ccccc21 ZINC000331817327 228130207 /nfs/dbraw/zinc/13/02/07/228130207.db2.gz XCUNLWACPKWXLD-RYUDHWBXSA-N 1 2 298.346 1.254 20 30 CDEDLO Cc1nnc([C@H]2C[N@H+](Cc3ccc(CC#N)cc3)CCO2)[nH]1 ZINC000332382809 228157611 /nfs/dbraw/zinc/15/76/11/228157611.db2.gz XKIXUAVGLFQFHL-OAHLLOKOSA-N 1 2 297.362 1.753 20 30 CDEDLO Cc1nnc([C@H]2C[N@@H+](Cc3ccc(CC#N)cc3)CCO2)[nH]1 ZINC000332382809 228157612 /nfs/dbraw/zinc/15/76/12/228157612.db2.gz XKIXUAVGLFQFHL-OAHLLOKOSA-N 1 2 297.362 1.753 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@@H]1C=CCC1 ZINC000070920460 260270730 /nfs/dbraw/zinc/27/07/30/260270730.db2.gz VGBMYAGFMPKKLH-OAHLLOKOSA-N 1 2 291.395 1.417 20 30 CDEDLO CCN(CC)C(=O)CO[NH+]=C(N)c1cccc(Cl)c1 ZINC000078534837 260300815 /nfs/dbraw/zinc/30/08/15/260300815.db2.gz XNRPLGNOAXVJIT-UHFFFAOYSA-N 1 2 283.759 1.845 20 30 CDEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(CCC#N)CC2)C1 ZINC000052687750 261117769 /nfs/dbraw/zinc/11/77/69/261117769.db2.gz KQPHBHWHYVRWEH-GJZGRUSLSA-N 1 2 292.427 1.022 20 30 CDEDLO C#C[C@@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000490951371 261264073 /nfs/dbraw/zinc/26/40/73/261264073.db2.gz XHNHUKMRBVTNRJ-NWDGAFQWSA-N 1 2 260.341 1.155 20 30 CDEDLO C#CC[N@@H+](C[C@H]1CCC(C)(C)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000491040981 261307573 /nfs/dbraw/zinc/30/75/73/261307573.db2.gz WUELQWLLFQUVLC-CHWSQXEVSA-N 1 2 285.409 1.066 20 30 CDEDLO C#CC[N@H+](C[C@H]1CCC(C)(C)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000491040981 261307575 /nfs/dbraw/zinc/30/75/75/261307575.db2.gz WUELQWLLFQUVLC-CHWSQXEVSA-N 1 2 285.409 1.066 20 30 CDEDLO CC#CCON=C(N)C[NH+]1CCN(c2ccccc2)CC1 ZINC000165874702 261379468 /nfs/dbraw/zinc/37/94/68/261379468.db2.gz TWKWNWRQAHMLAI-UHFFFAOYSA-N 1 2 286.379 1.121 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C(C)(C)[C@H]1c1cnn(C)c1 ZINC000491763896 262014982 /nfs/dbraw/zinc/01/49/82/262014982.db2.gz BAUHUEDFZMVFIX-WCQYABFASA-N 1 2 274.368 1.241 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C(C)(C)[C@H]1c1cnn(C)c1 ZINC000491763896 262014984 /nfs/dbraw/zinc/01/49/84/262014984.db2.gz BAUHUEDFZMVFIX-WCQYABFASA-N 1 2 274.368 1.241 20 30 CDEDLO C[C@H]1CCC[C@@](C#N)(NC(=O)CCc2c[nH+]cn2C)C1 ZINC000189039506 262166282 /nfs/dbraw/zinc/16/62/82/262166282.db2.gz JPFRTACYQRNAMQ-SWLSCSKDSA-N 1 2 274.368 1.941 20 30 CDEDLO Cc1ccc(C(N)=[NH+]OCC2OCCO2)cc1F ZINC000194627389 262240445 /nfs/dbraw/zinc/24/04/45/262240445.db2.gz PRZOEHMXWXCVKF-UHFFFAOYSA-N 1 2 254.261 1.144 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCOc2c(F)cccc2C1 ZINC000365002561 262267416 /nfs/dbraw/zinc/26/74/16/262267416.db2.gz BBJBKNQQGURVCE-LLVKDONJSA-N 1 2 278.327 1.711 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCOc2c(F)cccc2C1 ZINC000365002561 262267418 /nfs/dbraw/zinc/26/74/18/262267418.db2.gz BBJBKNQQGURVCE-LLVKDONJSA-N 1 2 278.327 1.711 20 30 CDEDLO CN(CC#N)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266196514 262914954 /nfs/dbraw/zinc/91/49/54/262914954.db2.gz YBMZDYAONYWDEN-UHFFFAOYSA-N 1 2 273.336 1.114 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000267447425 262931340 /nfs/dbraw/zinc/93/13/40/262931340.db2.gz LOULCTXUQZZCKT-AWEZNQCLSA-N 1 2 284.363 1.958 20 30 CDEDLO N#CCCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000273601803 263018374 /nfs/dbraw/zinc/01/83/74/263018374.db2.gz RSXFGSNSOSKDCN-UHFFFAOYSA-N 1 2 273.340 1.217 20 30 CDEDLO C=CCN1CC[C@@H](O[NH+]=C(N)c2cccc(Cl)c2)C1=O ZINC000283579716 263083559 /nfs/dbraw/zinc/08/35/59/263083559.db2.gz QXRGODNNCURWFR-GFCCVEGCSA-N 1 2 293.754 1.764 20 30 CDEDLO COc1cccc(OCCO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000283758820 263084070 /nfs/dbraw/zinc/08/40/70/263084070.db2.gz ASNGKATXHQMFEX-CYBMUJFWSA-N 1 2 280.324 1.542 20 30 CDEDLO COC(=O)c1ccoc1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000283939618 263085133 /nfs/dbraw/zinc/08/51/33/263085133.db2.gz FIRXAOWXVFBMQB-SECBINFHSA-N 1 2 268.269 1.034 20 30 CDEDLO CO/N=C/c1ccc(C(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000291794935 263125598 /nfs/dbraw/zinc/12/55/98/263125598.db2.gz BFNIUEHCTAYRGV-CAOOACKPSA-N 1 2 284.319 1.519 20 30 CDEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1cc(C)on1 ZINC000292154465 263129178 /nfs/dbraw/zinc/12/91/78/263129178.db2.gz KMFYOYZGGQLIKJ-UHFFFAOYSA-N 1 2 262.313 1.713 20 30 CDEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1cc(C)on1 ZINC000292154465 263129179 /nfs/dbraw/zinc/12/91/79/263129179.db2.gz KMFYOYZGGQLIKJ-UHFFFAOYSA-N 1 2 262.313 1.713 20 30 CDEDLO Cc1ccoc1C[N@@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000292370090 263131616 /nfs/dbraw/zinc/13/16/16/263131616.db2.gz QXGGGQXKXJRZFG-GFCCVEGCSA-N 1 2 263.341 1.780 20 30 CDEDLO Cc1ccoc1C[N@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000292370090 263131617 /nfs/dbraw/zinc/13/16/17/263131617.db2.gz QXGGGQXKXJRZFG-GFCCVEGCSA-N 1 2 263.341 1.780 20 30 CDEDLO CC(C)[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)c1[nH]cc[nH+]1 ZINC000296263949 263188492 /nfs/dbraw/zinc/18/84/92/263188492.db2.gz YJKMPUSOINWNSL-MNOVXSKESA-N 1 2 299.400 1.175 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1nnc(C(C)C)s1 ZINC000121354651 263290837 /nfs/dbraw/zinc/29/08/37/263290837.db2.gz JULYQBRKPSAFQL-UHFFFAOYSA-N 1 2 254.359 1.718 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1nnc(C(C)C)s1 ZINC000121354651 263290840 /nfs/dbraw/zinc/29/08/40/263290840.db2.gz JULYQBRKPSAFQL-UHFFFAOYSA-N 1 2 254.359 1.718 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000121326615 263291256 /nfs/dbraw/zinc/29/12/56/263291256.db2.gz ZVMIHTYCUJKJIU-UHFFFAOYSA-N 1 2 276.336 1.920 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000121326615 263291258 /nfs/dbraw/zinc/29/12/58/263291258.db2.gz ZVMIHTYCUJKJIU-UHFFFAOYSA-N 1 2 276.336 1.920 20 30 CDEDLO C=CC[C@H](CC)NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000341453251 263335931 /nfs/dbraw/zinc/33/59/31/263335931.db2.gz ACVCWVPOERTHMU-KBPBESRZSA-N 1 2 283.416 1.703 20 30 CDEDLO COc1cc(C)cnc1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000331164707 264144284 /nfs/dbraw/zinc/14/42/84/264144284.db2.gz RYEMGXLIYDIFFE-GFCCVEGCSA-N 1 2 293.367 1.424 20 30 CDEDLO Cc1ccc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)c(F)c1 ZINC000331236226 264175432 /nfs/dbraw/zinc/17/54/32/264175432.db2.gz GFQFOAQLXKVUKL-GFCCVEGCSA-N 1 2 296.342 1.132 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CC(OC)OC)c1 ZINC000160622872 264254952 /nfs/dbraw/zinc/25/49/52/264254952.db2.gz HADHDKIRIUMOOO-UHFFFAOYSA-N 1 2 276.336 1.157 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CC(OC)OC)c1 ZINC000160622872 264254953 /nfs/dbraw/zinc/25/49/53/264254953.db2.gz HADHDKIRIUMOOO-UHFFFAOYSA-N 1 2 276.336 1.157 20 30 CDEDLO C=C(CC)CNC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000456815175 264346142 /nfs/dbraw/zinc/34/61/42/264346142.db2.gz XABJSVQCJTWIRS-UONOGXRCSA-N 1 2 268.401 1.958 20 30 CDEDLO C=C(CC)CNC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000456815175 264346145 /nfs/dbraw/zinc/34/61/45/264346145.db2.gz XABJSVQCJTWIRS-UONOGXRCSA-N 1 2 268.401 1.958 20 30 CDEDLO C=C[C@@H](CO)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000357603515 266333457 /nfs/dbraw/zinc/33/34/57/266333457.db2.gz OVWJIPOFRUTOTE-NSHDSACASA-N 1 2 281.319 1.774 20 30 CDEDLO N#CCC1(CNC(=O)C2CC[NH+](CC(F)F)CC2)CC1 ZINC000357679064 266346030 /nfs/dbraw/zinc/34/60/30/266346030.db2.gz ZJNANUGQHINMQF-UHFFFAOYSA-N 1 2 285.338 1.774 20 30 CDEDLO C[C@H](C#N)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000357823689 266372772 /nfs/dbraw/zinc/37/27/72/266372772.db2.gz UENTZXPUDQQHCY-SNVBAGLBSA-N 1 2 272.283 1.787 20 30 CDEDLO CC#CCn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000363264026 267082820 /nfs/dbraw/zinc/08/28/20/267082820.db2.gz GZIDFLMWRRFXGD-OAHLLOKOSA-N 1 2 297.362 1.270 20 30 CDEDLO CC#CCn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000363264026 267082822 /nfs/dbraw/zinc/08/28/22/267082822.db2.gz GZIDFLMWRRFXGD-OAHLLOKOSA-N 1 2 297.362 1.270 20 30 CDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C1(C#N)CCC1 ZINC000367425921 267090380 /nfs/dbraw/zinc/09/03/80/267090380.db2.gz JQRSXTIJCUNURQ-CHWSQXEVSA-N 1 2 277.368 1.002 20 30 CDEDLO C[C@@H](CC#N)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117773045 267221567 /nfs/dbraw/zinc/22/15/67/267221567.db2.gz FKVWYZYCLNVURH-NSHDSACASA-N 1 2 254.293 1.904 20 30 CDEDLO C#CCCCC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000370110448 267289982 /nfs/dbraw/zinc/28/99/82/267289982.db2.gz HZKIDOCSTBCSGQ-UHFFFAOYSA-N 1 2 259.353 1.682 20 30 CDEDLO CC#CCNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000370133327 267293410 /nfs/dbraw/zinc/29/34/10/267293410.db2.gz QRDMOZHOOVHCBK-LBPRGKRZSA-N 1 2 260.341 1.332 20 30 CDEDLO CC[C@H](C(N)=O)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000370307903 267307444 /nfs/dbraw/zinc/30/74/44/267307444.db2.gz KDWNNRZYEFBKJL-GFCCVEGCSA-N 1 2 272.352 1.203 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)c(C)c2)C[C@@H](C)O1 ZINC000338342115 277363938 /nfs/dbraw/zinc/36/39/38/277363938.db2.gz FLMNMQIKMMTUDN-DOMZBBRYSA-N 1 2 288.347 1.629 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)c(C)c2)C[C@@H](C)O1 ZINC000338342115 277363939 /nfs/dbraw/zinc/36/39/39/277363939.db2.gz FLMNMQIKMMTUDN-DOMZBBRYSA-N 1 2 288.347 1.629 20 30 CDEDLO C[C@]1([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCOC1=O ZINC000291708552 280167400 /nfs/dbraw/zinc/16/74/00/280167400.db2.gz ILSXABQDWQRMJB-KRWDZBQOSA-N 1 2 299.374 1.822 20 30 CDEDLO CC1(C)CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H]1C#N ZINC000333092155 280972575 /nfs/dbraw/zinc/97/25/75/280972575.db2.gz ZSRZDKISWUVIIZ-TZMCWYRMSA-N 1 2 286.379 1.986 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000549931281 289979601 /nfs/dbraw/zinc/97/96/01/289979601.db2.gz CGLCGUSRDMKYLF-UHFFFAOYSA-N 1 2 281.319 1.975 20 30 CDEDLO CCNc1ccc(C#N)cc1NC(=O)Cc1c[nH+]cn1C ZINC000552354535 290066745 /nfs/dbraw/zinc/06/67/45/290066745.db2.gz HMNPZQVDQFBNOR-UHFFFAOYSA-N 1 2 283.335 1.905 20 30 CDEDLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2CCCC#N)C[C@H](C)O1 ZINC000067715205 297018456 /nfs/dbraw/zinc/01/84/56/297018456.db2.gz AIQDZHLTSYHCKX-ZNMIVQPWSA-N 1 2 265.401 1.864 20 30 CDEDLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2CCCC#N)C[C@H](C)O1 ZINC000067715205 297018457 /nfs/dbraw/zinc/01/84/57/297018457.db2.gz AIQDZHLTSYHCKX-ZNMIVQPWSA-N 1 2 265.401 1.864 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@H]1CCCC[C@H]1C ZINC000581832696 336149308 /nfs/dbraw/zinc/14/93/08/336149308.db2.gz PSESUHGNQOKPHM-UPJWGTAASA-N 1 2 251.374 1.963 20 30 CDEDLO Cc1cc(NCCNc2cc(C)[nH+]cc2C#N)n(C)n1 ZINC000572395100 294615903 /nfs/dbraw/zinc/61/59/03/294615903.db2.gz QEAKUVRCXDTPJR-UHFFFAOYSA-N 1 2 270.340 1.250 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC(=O)c1ccc(C#N)cc1 ZINC000574650613 295034535 /nfs/dbraw/zinc/03/45/35/295034535.db2.gz FHKAUJUMYAKMHK-NSHDSACASA-N 1 2 296.330 1.459 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC(=O)c1ccc(C#N)cc1 ZINC000574650613 295034536 /nfs/dbraw/zinc/03/45/36/295034536.db2.gz FHKAUJUMYAKMHK-NSHDSACASA-N 1 2 296.330 1.459 20 30 CDEDLO Cc1cc(N2CC[S@](=O)C[C@H](C)C2)c(C#N)c[nH+]1 ZINC000333538465 301342926 /nfs/dbraw/zinc/34/29/26/301342926.db2.gz ZLPYYSRXKUYBNM-MGNBDDOMSA-N 1 2 263.366 1.467 20 30 CDEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](COC)c1ccco1 ZINC000184621198 327831299 /nfs/dbraw/zinc/83/12/99/327831299.db2.gz XUVYTZYGUAGFDA-GFCCVEGCSA-N 1 2 279.340 1.319 20 30 CDEDLO C=CC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000364456824 327884289 /nfs/dbraw/zinc/88/42/89/327884289.db2.gz DUZFYDQMUYLKOB-CYBMUJFWSA-N 1 2 259.353 1.870 20 30 CDEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000563367614 328059845 /nfs/dbraw/zinc/05/98/45/328059845.db2.gz WGLCTXVDBIUQOO-PWSUYJOCSA-N 1 2 288.351 1.394 20 30 CDEDLO COc1ccc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1F ZINC000571138973 328088507 /nfs/dbraw/zinc/08/85/07/328088507.db2.gz WIEVXAPPGYMMSI-HNNXBMFYSA-N 1 2 293.342 1.337 20 30 CDEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(C(=O)c3ccccc3O)CC2)C1 ZINC000278620829 328228669 /nfs/dbraw/zinc/22/86/69/328228669.db2.gz NFGZFAAJFMKNQQ-ZIAGYGMSSA-N 1 2 299.374 1.842 20 30 CDEDLO C#CC[N@H+](CC(=O)NCC1CC1)Cc1ccc(F)cc1 ZINC000049442240 328361542 /nfs/dbraw/zinc/36/15/42/328361542.db2.gz MFVZYIVRVRAESF-UHFFFAOYSA-N 1 2 274.339 1.787 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCC1CC1)Cc1ccc(F)cc1 ZINC000049442240 328361543 /nfs/dbraw/zinc/36/15/43/328361543.db2.gz MFVZYIVRVRAESF-UHFFFAOYSA-N 1 2 274.339 1.787 20 30 CDEDLO Cc1cccn2cc(CNC(=O)c3c[nH]c(C#N)c3)[nH+]c12 ZINC000181382325 323234294 /nfs/dbraw/zinc/23/42/94/323234294.db2.gz OOFYYAGWWIAPGZ-UHFFFAOYSA-N 1 2 279.303 1.773 20 30 CDEDLO C=CC[C@H](CO)NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000341497023 328411217 /nfs/dbraw/zinc/41/12/17/328411217.db2.gz JKFGCSGPCHWKEV-QWHCGFSZSA-N 1 2 292.383 1.305 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)nc1 ZINC000578707562 324000124 /nfs/dbraw/zinc/00/01/24/324000124.db2.gz VPGHPTZUWNOORW-UONOGXRCSA-N 1 2 270.336 1.196 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)nc1 ZINC000578707562 324000127 /nfs/dbraw/zinc/00/01/27/324000127.db2.gz VPGHPTZUWNOORW-UONOGXRCSA-N 1 2 270.336 1.196 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)[C@@H](C)CO1 ZINC000579593758 324229194 /nfs/dbraw/zinc/22/91/94/324229194.db2.gz RUSIMWLRLONUAL-WDEREUQCSA-N 1 2 271.324 1.210 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)[C@@H](C)CO1 ZINC000579593758 324229189 /nfs/dbraw/zinc/22/91/89/324229189.db2.gz RUSIMWLRLONUAL-WDEREUQCSA-N 1 2 271.324 1.210 20 30 CDEDLO C[C@@H](C#N)CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000558488047 327097700 /nfs/dbraw/zinc/09/77/00/327097700.db2.gz DQFFUYKXHNPUGY-NSHDSACASA-N 1 2 284.323 1.608 20 30 CDEDLO CCc1ccc([C@H](C#N)NC(=O)Cc2c[nH+]cn2C)cc1 ZINC000559043123 327138948 /nfs/dbraw/zinc/13/89/48/327138948.db2.gz ZFDSMPJSHPVENB-HNNXBMFYSA-N 1 2 282.347 1.906 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCCCCn1cc[nH+]c1 ZINC000519809867 328697891 /nfs/dbraw/zinc/69/78/91/328697891.db2.gz WOMHKTAUNQPWDQ-OLZOCXBDSA-N 1 2 278.356 1.306 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CC[C@@H](OC)C[C@H]2C(=O)OC)cc1 ZINC000377631209 329022265 /nfs/dbraw/zinc/02/22/65/329022265.db2.gz WBJPEKXVIZAMQF-CVEARBPZSA-N 1 2 287.359 1.820 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C(=O)OC)cc1 ZINC000377631209 329022266 /nfs/dbraw/zinc/02/22/66/329022266.db2.gz WBJPEKXVIZAMQF-CVEARBPZSA-N 1 2 287.359 1.820 20 30 CDEDLO C=CCOCCCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174500043 329159543 /nfs/dbraw/zinc/15/95/43/329159543.db2.gz JZQWKEURRGVRHA-HNNXBMFYSA-N 1 2 296.411 1.292 20 30 CDEDLO C=C(C)COCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000177653520 329188750 /nfs/dbraw/zinc/18/87/50/329188750.db2.gz QFYDAIKFKTUDDC-UHFFFAOYSA-N 1 2 259.309 1.657 20 30 CDEDLO C#CCCCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000178786786 329200542 /nfs/dbraw/zinc/20/05/42/329200542.db2.gz LNCXSXAZVGPLNQ-ZDUSSCGKSA-N 1 2 272.352 1.373 20 30 CDEDLO C=C(C)C[N@@H+](C)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000181252893 329228122 /nfs/dbraw/zinc/22/81/22/329228122.db2.gz FWYMHSJFORJNPA-UHFFFAOYSA-N 1 2 273.336 1.480 20 30 CDEDLO C=C(C)C[N@H+](C)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000181252893 329228124 /nfs/dbraw/zinc/22/81/24/329228124.db2.gz FWYMHSJFORJNPA-UHFFFAOYSA-N 1 2 273.336 1.480 20 30 CDEDLO C[C@H](O)CNc1cc(N2CCC(CC#N)CC2)nc[nH+]1 ZINC000572372151 330016349 /nfs/dbraw/zinc/01/63/49/330016349.db2.gz SBXIBDCJYZFRET-NSHDSACASA-N 1 2 275.356 1.399 20 30 CDEDLO C[C@H](O)CNc1cc(N2CCC(CC#N)CC2)[nH+]cn1 ZINC000572372151 330016351 /nfs/dbraw/zinc/01/63/51/330016351.db2.gz SBXIBDCJYZFRET-NSHDSACASA-N 1 2 275.356 1.399 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cnc(CC)s2)nn1 ZINC000424171650 330311747 /nfs/dbraw/zinc/31/17/47/330311747.db2.gz MJGSVYILDSEXOZ-UHFFFAOYSA-N 1 2 263.370 1.773 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cnn(CC)c1 ZINC000533281234 330356318 /nfs/dbraw/zinc/35/63/18/330356318.db2.gz LSXJXYRMHVTOBK-LLVKDONJSA-N 1 2 250.346 1.026 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1cnn(CC)c1 ZINC000533281234 330356319 /nfs/dbraw/zinc/35/63/19/330356319.db2.gz LSXJXYRMHVTOBK-LLVKDONJSA-N 1 2 250.346 1.026 20 30 CDEDLO N#C[C@H]1N(CC[NH+]2CCOCC2)CCC[C@@]12CCCCO2 ZINC000447908128 330879828 /nfs/dbraw/zinc/87/98/28/330879828.db2.gz UNBBSVDCEBXQQV-CVEARBPZSA-N 1 2 293.411 1.246 20 30 CDEDLO CC(C)(C#N)CC[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000450897244 331005740 /nfs/dbraw/zinc/00/57/40/331005740.db2.gz QOWILGPQFILQIB-JTQLQIEISA-N 1 2 264.329 1.894 20 30 CDEDLO C=CCOCCC[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000450912550 331006819 /nfs/dbraw/zinc/00/68/19/331006819.db2.gz XSVBZIDPXGVLNW-NSHDSACASA-N 1 2 267.329 1.547 20 30 CDEDLO C=CCOCCC[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000450912550 331006820 /nfs/dbraw/zinc/00/68/20/331006820.db2.gz XSVBZIDPXGVLNW-NSHDSACASA-N 1 2 267.329 1.547 20 30 CDEDLO C=CCCCCNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000490201833 332084382 /nfs/dbraw/zinc/08/43/82/332084382.db2.gz MTDNEMNQIDHNDB-AWEZNQCLSA-N 1 2 281.400 1.505 20 30 CDEDLO C=CCCCCNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000490201833 332084383 /nfs/dbraw/zinc/08/43/83/332084383.db2.gz MTDNEMNQIDHNDB-AWEZNQCLSA-N 1 2 281.400 1.505 20 30 CDEDLO C#CCNC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000490741771 332111870 /nfs/dbraw/zinc/11/18/70/332111870.db2.gz WVPPHLXLXOWCCO-UHFFFAOYSA-N 1 2 263.247 1.372 20 30 CDEDLO C#CC[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccc1 ZINC000491179785 332161192 /nfs/dbraw/zinc/16/11/92/332161192.db2.gz HQJNIPRQKXSEDD-UHFFFAOYSA-N 1 2 281.359 1.684 20 30 CDEDLO C#CC[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccc1 ZINC000491179785 332161193 /nfs/dbraw/zinc/16/11/93/332161193.db2.gz HQJNIPRQKXSEDD-UHFFFAOYSA-N 1 2 281.359 1.684 20 30 CDEDLO C#C[C@H](CCC)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000491241157 332172253 /nfs/dbraw/zinc/17/22/53/332172253.db2.gz HGEPMFFGQFTFJM-LLVKDONJSA-N 1 2 284.319 1.191 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cncs1 ZINC000491243164 332173390 /nfs/dbraw/zinc/17/33/90/332173390.db2.gz VJNJAIXBDXXARP-SNVBAGLBSA-N 1 2 250.323 1.398 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cncs1 ZINC000491243164 332173391 /nfs/dbraw/zinc/17/33/91/332173391.db2.gz VJNJAIXBDXXARP-SNVBAGLBSA-N 1 2 250.323 1.398 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CCCC)n2C(C)C)CC1 ZINC000491325784 332189912 /nfs/dbraw/zinc/18/99/12/332189912.db2.gz HABJIVQVAQKJNX-UHFFFAOYSA-N 1 2 289.427 1.957 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000491360581 332196583 /nfs/dbraw/zinc/19/65/83/332196583.db2.gz GPNNFZKUFAYRFK-OCCSQVGLSA-N 1 2 285.347 1.061 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000491360581 332196584 /nfs/dbraw/zinc/19/65/84/332196584.db2.gz GPNNFZKUFAYRFK-OCCSQVGLSA-N 1 2 285.347 1.061 20 30 CDEDLO C#C[C@H]([NH2+]CN1CCC(=O)CC1)c1ccc(F)cc1 ZINC000491406272 332206135 /nfs/dbraw/zinc/20/61/35/332206135.db2.gz MZQJQZMTAOZPGW-HNNXBMFYSA-N 1 2 260.312 1.712 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000491514729 332226677 /nfs/dbraw/zinc/22/66/77/332226677.db2.gz JSARJTBYVMDIKU-LBPRGKRZSA-N 1 2 270.336 1.806 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)CC(OCC)OCC)n1 ZINC000491525409 332230142 /nfs/dbraw/zinc/23/01/42/332230142.db2.gz SFGJFMXARHNTCV-UHFFFAOYSA-N 1 2 279.384 1.737 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)CC(OCC)OCC)n1 ZINC000491525409 332230143 /nfs/dbraw/zinc/23/01/43/332230143.db2.gz SFGJFMXARHNTCV-UHFFFAOYSA-N 1 2 279.384 1.737 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)CCC(F)(F)F)n1 ZINC000491554102 332236511 /nfs/dbraw/zinc/23/65/11/332236511.db2.gz GHEKBTLHCMPELT-UHFFFAOYSA-N 1 2 289.301 1.917 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)CCC(F)(F)F)n1 ZINC000491554102 332236510 /nfs/dbraw/zinc/23/65/10/332236510.db2.gz GHEKBTLHCMPELT-UHFFFAOYSA-N 1 2 289.301 1.917 20 30 CDEDLO C#C[C@H](NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)C(C)C ZINC000491626735 332250358 /nfs/dbraw/zinc/25/03/58/332250358.db2.gz MQOZJLOZIXRISJ-WOPDTQHZSA-N 1 2 260.341 1.846 20 30 CDEDLO C#C[C@@H](CC)NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000491667607 332275786 /nfs/dbraw/zinc/27/57/86/332275786.db2.gz VHEQAZJUAVQFHM-LBPRGKRZSA-N 1 2 270.336 1.588 20 30 CDEDLO C#C[C@H](CC)NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000491676391 332281744 /nfs/dbraw/zinc/28/17/44/332281744.db2.gz WHMXVGLMRVWTNS-CQSZACIVSA-N 1 2 291.420 1.987 20 30 CDEDLO C#C[C@@H]1COCCN1Cc1c[nH+]c2ccc(C)cn12 ZINC000491740352 332319292 /nfs/dbraw/zinc/31/92/92/332319292.db2.gz HKQHECLZMCMBBI-CYBMUJFWSA-N 1 2 255.321 1.477 20 30 CDEDLO Cc1[nH+]c2cc(NC(=O)C(=O)N(C)CCC#N)ccc2n1C ZINC000575433376 335103970 /nfs/dbraw/zinc/10/39/70/335103970.db2.gz PORORSUBAXUPNU-UHFFFAOYSA-N 1 2 299.334 1.192 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1ccc(Cl)nc1 ZINC000493056932 332424577 /nfs/dbraw/zinc/42/45/77/332424577.db2.gz UOYDHBPFENQSSC-BRLPQQTGSA-N 1 2 292.770 1.708 20 30 CDEDLO Cc1ccc(/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C)cn1 ZINC000493329952 332435730 /nfs/dbraw/zinc/43/57/30/332435730.db2.gz YNJVPDLGJKKPNQ-KIUWMYQTSA-N 1 2 272.352 1.363 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NC1(c2ccccc2)CCC1 ZINC000192238595 333233779 /nfs/dbraw/zinc/23/37/79/333233779.db2.gz PYKHRFOOEKHHKT-UHFFFAOYSA-N 1 2 256.349 1.747 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NC1(c2ccccc2)CCC1 ZINC000192238595 333233780 /nfs/dbraw/zinc/23/37/80/333233780.db2.gz PYKHRFOOEKHHKT-UHFFFAOYSA-N 1 2 256.349 1.747 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000522984130 333303287 /nfs/dbraw/zinc/30/32/87/333303287.db2.gz CNRKYSUSOSYMHP-YPMHNXCESA-N 1 2 268.320 1.785 20 30 CDEDLO CC(C)[C@H](C(=O)NCC1(C#N)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000576182762 335166139 /nfs/dbraw/zinc/16/61/39/335166139.db2.gz PMEWRSSBWBEDQL-MGPQQGTHSA-N 1 2 293.411 1.540 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CC(C)(C)C1CC1 ZINC000568096369 334791795 /nfs/dbraw/zinc/79/17/95/334791795.db2.gz YUZVQNNIMYWBDH-CQSZACIVSA-N 1 2 251.374 1.773 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc2c(c1)COC2 ZINC000576588084 335222919 /nfs/dbraw/zinc/22/29/19/335222919.db2.gz QFZVJWMKLSXCFG-HNNXBMFYSA-N 1 2 273.336 1.290 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1ccc(F)cc1 ZINC000580689914 335328801 /nfs/dbraw/zinc/32/88/01/335328801.db2.gz NVVWFBBFDDFKPJ-HNNXBMFYSA-N 1 2 277.343 1.718 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2CC2(C#N)CCC2)O1 ZINC000577459736 335354546 /nfs/dbraw/zinc/35/45/46/335354546.db2.gz XLCWLDTUYVNCPW-SYQHCUMBSA-N 1 2 292.379 1.864 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2CC2(C#N)CCC2)O1 ZINC000577459736 335354547 /nfs/dbraw/zinc/35/45/47/335354547.db2.gz XLCWLDTUYVNCPW-SYQHCUMBSA-N 1 2 292.379 1.864 20 30 CDEDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000577518221 335363929 /nfs/dbraw/zinc/36/39/29/335363929.db2.gz BYADCVRWSOYUJA-AWEZNQCLSA-N 1 2 290.323 1.477 20 30 CDEDLO C=C[C@@](C)(O)C(=O)NCCCCNc1cccc[nH+]1 ZINC000668298230 482359369 /nfs/dbraw/zinc/35/93/69/482359369.db2.gz RIFYGHBESFRBBP-CQSZACIVSA-N 1 2 263.341 1.327 20 30 CDEDLO C=CCN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000680925055 482620522 /nfs/dbraw/zinc/62/05/22/482620522.db2.gz BNLUPIARIWJCDX-UHFFFAOYSA-N 1 2 274.364 1.761 20 30 CDEDLO COc1ncc(NC(=O)CCc2[nH+]ccn2C)cc1C#N ZINC001772465631 1160666753 /nfs/dbraw/zinc/66/67/53/1160666753.db2.gz RGAKVGGGEJMEQX-UHFFFAOYSA-N 1 2 285.307 1.267 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc(CC)n[nH]1 ZINC001409542576 1160844476 /nfs/dbraw/zinc/84/44/76/1160844476.db2.gz SGIJTAUKIJTXAK-JTQLQIEISA-N 1 2 284.791 1.775 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(CC)n[nH]1 ZINC001409542576 1160844487 /nfs/dbraw/zinc/84/44/87/1160844487.db2.gz SGIJTAUKIJTXAK-JTQLQIEISA-N 1 2 284.791 1.775 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cnc(COC)s2)[C@H]1C ZINC001089078573 1161054544 /nfs/dbraw/zinc/05/45/44/1161054544.db2.gz MFGYRVGCZNIRKO-MNOVXSKESA-N 1 2 293.392 1.115 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnc(COC)s2)[C@H]1C ZINC001089078573 1161054549 /nfs/dbraw/zinc/05/45/49/1161054549.db2.gz MFGYRVGCZNIRKO-MNOVXSKESA-N 1 2 293.392 1.115 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2[nH]ccc2C)C1 ZINC001107911793 1161332673 /nfs/dbraw/zinc/33/26/73/1161332673.db2.gz ALZKUUZVNWJJGP-MRXNPFEDSA-N 1 2 289.379 1.167 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2[nH]ccc2C)C1 ZINC001107911793 1161332675 /nfs/dbraw/zinc/33/26/75/1161332675.db2.gz ALZKUUZVNWJJGP-MRXNPFEDSA-N 1 2 289.379 1.167 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H](C)OC)C1CC1 ZINC001713554058 1178642403 /nfs/dbraw/zinc/64/24/03/1178642403.db2.gz HQANGVDIXVQNTJ-JTQLQIEISA-N 1 2 260.765 1.354 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H](C)OC)C1CC1 ZINC001713554058 1178642404 /nfs/dbraw/zinc/64/24/04/1178642404.db2.gz HQANGVDIXVQNTJ-JTQLQIEISA-N 1 2 260.765 1.354 20 30 CDEDLO C[C@@H]1CCN(C([O-])=[NH+][C@H]2[C@@H]3COC[C@@H]32)C[C@H]1n1cc[nH+]c1 ZINC000329993388 533909595 /nfs/dbraw/zinc/90/95/95/533909595.db2.gz LIPGCVDUZFLJMF-RGDJUOJXSA-N 1 2 290.367 1.325 20 30 CDEDLO C[C@@H]1CCN(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1n1cc[nH+]c1 ZINC000329993388 533909601 /nfs/dbraw/zinc/90/96/01/533909601.db2.gz LIPGCVDUZFLJMF-RGDJUOJXSA-N 1 2 290.367 1.325 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1O ZINC001085491070 1161942857 /nfs/dbraw/zinc/94/28/57/1161942857.db2.gz ONHRDUHTBHOQPH-ZDUSSCGKSA-N 1 2 272.348 1.562 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1O ZINC001085491070 1161942859 /nfs/dbraw/zinc/94/28/59/1161942859.db2.gz ONHRDUHTBHOQPH-ZDUSSCGKSA-N 1 2 272.348 1.562 20 30 CDEDLO Cc1nc(N[C@@H](C)[C@H](C)NC(=O)CSCC#N)cc[nH+]1 ZINC001112911064 1162058367 /nfs/dbraw/zinc/05/83/67/1162058367.db2.gz LTMGJLNITCLEOB-UWVGGRQHSA-N 1 2 293.396 1.347 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](CCC)OCC ZINC001754492037 1185640257 /nfs/dbraw/zinc/64/02/57/1185640257.db2.gz UMPPSNFTMYTBDO-CHWSQXEVSA-N 1 2 252.358 1.015 20 30 CDEDLO C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C(F)C(F)(F)F ZINC001755192860 1185849258 /nfs/dbraw/zinc/84/92/58/1185849258.db2.gz MSPPAPRGKXBWLC-VHSXEESVSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)C(F)C(F)(F)F ZINC001755192860 1185849264 /nfs/dbraw/zinc/84/92/64/1185849264.db2.gz MSPPAPRGKXBWLC-VHSXEESVSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](F)C(F)(F)F ZINC001755192860 1185849267 /nfs/dbraw/zinc/84/92/67/1185849267.db2.gz MSPPAPRGKXBWLC-VHSXEESVSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](F)C(F)(F)F ZINC001755192860 1185849278 /nfs/dbraw/zinc/84/92/78/1185849278.db2.gz MSPPAPRGKXBWLC-VHSXEESVSA-N 1 2 282.281 1.996 20 30 CDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000049443131 518248970 /nfs/dbraw/zinc/24/89/70/518248970.db2.gz UORNOFDXEHIMSL-UHFFFAOYSA-N 1 2 278.377 1.016 20 30 CDEDLO Cc1ccc2nc(C[NH2+][C@@H]3CCC[C@H]3C#N)cc(=O)n2c1 ZINC000332131993 534503914 /nfs/dbraw/zinc/50/39/14/534503914.db2.gz HFORINHEQFURLK-GXTWGEPZSA-N 1 2 282.347 1.785 20 30 CDEDLO C=CCC(CC=C)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000268165465 534561856 /nfs/dbraw/zinc/56/18/56/534561856.db2.gz FGQLVQCBBXAJCX-UHFFFAOYSA-N 1 2 293.411 1.163 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCO[C@H](C#N)C1 ZINC000332071983 534679008 /nfs/dbraw/zinc/67/90/08/534679008.db2.gz WZCBUMOBXKTHLN-CYBMUJFWSA-N 1 2 298.346 1.486 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc(C#N)cn1)CCC2 ZINC000366689370 525934473 /nfs/dbraw/zinc/93/44/73/525934473.db2.gz QKVMUULIOZJUAR-CYBMUJFWSA-N 1 2 267.336 1.870 20 30 CDEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(N)=O ZINC000352797625 526561275 /nfs/dbraw/zinc/56/12/75/526561275.db2.gz JEZKMPABPRZNGQ-JTQLQIEISA-N 1 2 252.314 1.024 20 30 CDEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(N)=O ZINC000352797625 526561277 /nfs/dbraw/zinc/56/12/77/526561277.db2.gz JEZKMPABPRZNGQ-JTQLQIEISA-N 1 2 252.314 1.024 20 30 CDEDLO N#Cc1cc(NCCCn2cc[nH+]c2)cc(N)c1[N+](=O)[O-] ZINC000339974047 526571202 /nfs/dbraw/zinc/57/12/02/526571202.db2.gz RGPGRDQWXMQIAU-UHFFFAOYSA-N 1 2 286.295 1.747 20 30 CDEDLO N#Cc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)[nH]1 ZINC000157989238 526593316 /nfs/dbraw/zinc/59/33/16/526593316.db2.gz LEHJKLMIRUFPBO-UHFFFAOYSA-N 1 2 295.346 1.680 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1csc(CC)n1 ZINC000111377083 527030945 /nfs/dbraw/zinc/03/09/45/527030945.db2.gz UWJVIKAJSIAJIZ-ZJUUUORDSA-N 1 2 265.382 1.494 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000344980621 527032345 /nfs/dbraw/zinc/03/23/45/527032345.db2.gz FPNYFOJVKATOCM-CYBMUJFWSA-N 1 2 291.351 1.378 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000344980621 527032349 /nfs/dbraw/zinc/03/23/49/527032349.db2.gz FPNYFOJVKATOCM-CYBMUJFWSA-N 1 2 291.351 1.378 20 30 CDEDLO C=C[C@@H](C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000355041582 527411846 /nfs/dbraw/zinc/41/18/46/527411846.db2.gz RFBPPXXUZHRGSX-YPMHNXCESA-N 1 2 292.383 1.174 20 30 CDEDLO C=C[C@@H](C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000355041582 527411849 /nfs/dbraw/zinc/41/18/49/527411849.db2.gz RFBPPXXUZHRGSX-YPMHNXCESA-N 1 2 292.383 1.174 20 30 CDEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC[S@@](=O)C1 ZINC000330035588 528726965 /nfs/dbraw/zinc/72/69/65/528726965.db2.gz XOOOINDDZPOSMI-BIBXISHDSA-N 1 2 298.412 1.064 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000248800203 536646193 /nfs/dbraw/zinc/64/61/93/536646193.db2.gz FWSRVCWWJLOPME-FZMZJTMJSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000248800203 536646196 /nfs/dbraw/zinc/64/61/96/536646196.db2.gz FWSRVCWWJLOPME-FZMZJTMJSA-N 1 2 276.336 1.148 20 30 CDEDLO CC(C)c1nc(C[NH2+]CCCNC(=O)C#CC2CC2)no1 ZINC001157698445 1162291505 /nfs/dbraw/zinc/29/15/05/1162291505.db2.gz CRFNZUJBLBZAAC-UHFFFAOYSA-N 1 2 290.367 1.202 20 30 CDEDLO Cc1ccc(N[NH+]=Cc2ccc(N(C)CCO)cc2)nn1 ZINC000729935862 574831328 /nfs/dbraw/zinc/83/13/28/574831328.db2.gz UCGFCOPUZQYREK-UHFFFAOYSA-N 1 2 285.351 1.660 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N(C)C(C)=O)cc1 ZINC000730098770 574849458 /nfs/dbraw/zinc/84/94/58/574849458.db2.gz QEFANQQKKBAUCC-INIZCTEOSA-N 1 2 299.374 1.705 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N(C)C(C)=O)cc1 ZINC000730098770 574849459 /nfs/dbraw/zinc/84/94/59/574849459.db2.gz QEFANQQKKBAUCC-INIZCTEOSA-N 1 2 299.374 1.705 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(NC(C)=O)c1C ZINC000730275647 574907635 /nfs/dbraw/zinc/90/76/35/574907635.db2.gz QUTLXBLKFWVPFO-INIZCTEOSA-N 1 2 299.374 1.990 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(NC(C)=O)c1C ZINC000730275647 574907637 /nfs/dbraw/zinc/90/76/37/574907637.db2.gz QUTLXBLKFWVPFO-INIZCTEOSA-N 1 2 299.374 1.990 20 30 CDEDLO Cc1ccn(C[N@H+](C)C[C@@H]2CCCCO2)c(=O)c1C#N ZINC000758196404 574914971 /nfs/dbraw/zinc/91/49/71/574914971.db2.gz CPKXJUXOHJJRJE-ZDUSSCGKSA-N 1 2 275.352 1.487 20 30 CDEDLO Cc1ccn(C[N@@H+](C)C[C@@H]2CCCCO2)c(=O)c1C#N ZINC000758196404 574914973 /nfs/dbraw/zinc/91/49/73/574914973.db2.gz CPKXJUXOHJJRJE-ZDUSSCGKSA-N 1 2 275.352 1.487 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C1)C1CC1 ZINC000761044392 576537518 /nfs/dbraw/zinc/53/75/18/576537518.db2.gz KBTJAJVYXYNQDR-CMPLNLGQSA-N 1 2 289.301 1.679 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C1)C1CC1 ZINC000761044392 576537519 /nfs/dbraw/zinc/53/75/19/576537519.db2.gz KBTJAJVYXYNQDR-CMPLNLGQSA-N 1 2 289.301 1.679 20 30 CDEDLO C#CCCCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000743692130 576651308 /nfs/dbraw/zinc/65/13/08/576651308.db2.gz RXTJVKXGWVTBJH-UHFFFAOYSA-N 1 2 256.309 1.547 20 30 CDEDLO COCC1=CC[N@H+](Cn2ccc(C)c(C#N)c2=O)CC1 ZINC000774643894 575223383 /nfs/dbraw/zinc/22/33/83/575223383.db2.gz GHSAEVSYEGCUPQ-UHFFFAOYSA-N 1 2 273.336 1.264 20 30 CDEDLO COCC1=CC[N@@H+](Cn2ccc(C)c(C#N)c2=O)CC1 ZINC000774643894 575223385 /nfs/dbraw/zinc/22/33/85/575223385.db2.gz GHSAEVSYEGCUPQ-UHFFFAOYSA-N 1 2 273.336 1.264 20 30 CDEDLO CCCCCCCCNC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000774772065 575240837 /nfs/dbraw/zinc/24/08/37/575240837.db2.gz JRNLTCWLJKIGPZ-UHFFFAOYSA-N 1 2 297.443 1.627 20 30 CDEDLO C(=NNc1ncnc2[nH]cnc21)c1cccc2[nH+]ccn21 ZINC000771098595 575548584 /nfs/dbraw/zinc/54/85/84/575548584.db2.gz RPHNNDPNUGXPLA-UHFFFAOYSA-N 1 2 278.279 1.447 20 30 CDEDLO C(=NNc1ncnc2nc[nH]c21)c1cccc2[nH+]ccn21 ZINC000771098595 575548586 /nfs/dbraw/zinc/54/85/86/575548586.db2.gz RPHNNDPNUGXPLA-UHFFFAOYSA-N 1 2 278.279 1.447 20 30 CDEDLO C=CC[N@H+](CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)C1CC1 ZINC000771640418 575599676 /nfs/dbraw/zinc/59/96/76/575599676.db2.gz NBTXSJMVGUJMML-HNNXBMFYSA-N 1 2 299.374 1.757 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)C1CC1 ZINC000771640418 575599678 /nfs/dbraw/zinc/59/96/78/575599678.db2.gz NBTXSJMVGUJMML-HNNXBMFYSA-N 1 2 299.374 1.757 20 30 CDEDLO C#C[C@H](NC(=O)c1ccc2[nH+]ccn2c1)[C@@H]1CCCO1 ZINC000772884189 575762999 /nfs/dbraw/zinc/76/29/99/575762999.db2.gz JXFAGAAMOWFKLN-STQMWFEESA-N 1 2 269.304 1.245 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CCC#N)CC(C)C ZINC000739913599 576397574 /nfs/dbraw/zinc/39/75/74/576397574.db2.gz OSCITYASJOTEIL-CQSZACIVSA-N 1 2 278.400 1.866 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CCC#N)CC(C)C ZINC000739913599 576397575 /nfs/dbraw/zinc/39/75/75/576397575.db2.gz OSCITYASJOTEIL-CQSZACIVSA-N 1 2 278.400 1.866 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CCC#N)CC(C)C ZINC000739913598 576397606 /nfs/dbraw/zinc/39/76/06/576397606.db2.gz OSCITYASJOTEIL-AWEZNQCLSA-N 1 2 278.400 1.866 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CCC#N)CC(C)C ZINC000739913598 576397608 /nfs/dbraw/zinc/39/76/08/576397608.db2.gz OSCITYASJOTEIL-AWEZNQCLSA-N 1 2 278.400 1.866 20 30 CDEDLO C=CCN1CC(=O)N(Cc2ccc(N(C)C)[nH+]c2)C1=O ZINC000761027343 576536070 /nfs/dbraw/zinc/53/60/70/576536070.db2.gz PBPQGVZRHLMEFQ-UHFFFAOYSA-N 1 2 274.324 1.098 20 30 CDEDLO C#CCOCC[N@@H+](C)[C@@H](C(=O)OC)c1ccccc1 ZINC000761113658 576550494 /nfs/dbraw/zinc/55/04/94/576550494.db2.gz IBQZXSUUZPJIRK-CQSZACIVSA-N 1 2 261.321 1.482 20 30 CDEDLO C#CCOCC[N@H+](C)[C@@H](C(=O)OC)c1ccccc1 ZINC000761113658 576550497 /nfs/dbraw/zinc/55/04/97/576550497.db2.gz IBQZXSUUZPJIRK-CQSZACIVSA-N 1 2 261.321 1.482 20 30 CDEDLO OCc1ccc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)o1 ZINC000761831296 576595989 /nfs/dbraw/zinc/59/59/89/576595989.db2.gz PHGYMUAWRQTSGV-UHFFFAOYSA-N 1 2 284.279 1.194 20 30 CDEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)N(C)CCC#N ZINC000745085496 576714249 /nfs/dbraw/zinc/71/42/49/576714249.db2.gz FTOFLQMWBFNLOW-CHWSQXEVSA-N 1 2 295.383 1.165 20 30 CDEDLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)N(C)CCC#N ZINC000745085496 576714251 /nfs/dbraw/zinc/71/42/51/576714251.db2.gz FTOFLQMWBFNLOW-CHWSQXEVSA-N 1 2 295.383 1.165 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1c(CC)noc1CC ZINC000755457552 576945773 /nfs/dbraw/zinc/94/57/73/576945773.db2.gz GMFNZQVDFPLKHE-AWEZNQCLSA-N 1 2 289.379 1.513 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1c(CC)noc1CC ZINC000755457552 576945774 /nfs/dbraw/zinc/94/57/74/576945774.db2.gz GMFNZQVDFPLKHE-AWEZNQCLSA-N 1 2 289.379 1.513 20 30 CDEDLO Cc1nc2ccccc2c(=O)n1N=Cc1c[nH+]cn1C ZINC000755487170 576946786 /nfs/dbraw/zinc/94/67/86/576946786.db2.gz KTNXZUCLCSILJD-UHFFFAOYSA-N 1 2 267.292 1.321 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000749523045 576951600 /nfs/dbraw/zinc/95/16/00/576951600.db2.gz MKLCBFHGCNHHNV-ZDUSSCGKSA-N 1 2 263.272 1.040 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000749523045 576951602 /nfs/dbraw/zinc/95/16/02/576951602.db2.gz MKLCBFHGCNHHNV-ZDUSSCGKSA-N 1 2 263.272 1.040 20 30 CDEDLO c1[nH]c(CN=Nc2nc(-c3ccncc3)no2)c[nH+]1 ZINC000755677879 576955113 /nfs/dbraw/zinc/95/51/13/576955113.db2.gz BNFFSYFURCLQTK-UHFFFAOYSA-N 1 2 255.241 1.301 20 30 CDEDLO c1[nH]cc(CN=Nc2nc(-c3ccncc3)no2)[nH+]1 ZINC000755677879 576955115 /nfs/dbraw/zinc/95/51/15/576955115.db2.gz BNFFSYFURCLQTK-UHFFFAOYSA-N 1 2 255.241 1.301 20 30 CDEDLO Cc1cccn2c(CN=Nc3cccnn3)c[nH+]c12 ZINC000755734667 576957966 /nfs/dbraw/zinc/95/79/66/576957966.db2.gz YHPRRUWVNIIKHG-UHFFFAOYSA-N 1 2 252.281 1.879 20 30 CDEDLO FC(F)CNN=Cc1c(-n2cc[nH+]c2)nc2ccccn12 ZINC000755738232 576958268 /nfs/dbraw/zinc/95/82/68/576958268.db2.gz FZXJBDRCWQZZPW-UHFFFAOYSA-N 1 2 290.277 1.709 20 30 CDEDLO Cc1[nH]c[nH+]c1C=NNC(=S)N[C@@H](C)C1CC1 ZINC000755768370 576959941 /nfs/dbraw/zinc/95/99/41/576959941.db2.gz PIYAZWIZBULJCD-ZETCQYMHSA-N 1 2 251.359 1.315 20 30 CDEDLO CCN(CC)c1ccnc(N=NCc2c[nH+]c[nH]2)n1 ZINC000755773165 576960514 /nfs/dbraw/zinc/96/05/14/576960514.db2.gz RVPUEQXIIISJJZ-UHFFFAOYSA-N 1 2 259.317 1.492 20 30 CDEDLO CCN(CC)c1ccnc(N=NCc2c[nH]c[nH+]2)n1 ZINC000755773165 576960515 /nfs/dbraw/zinc/96/05/15/576960515.db2.gz RVPUEQXIIISJJZ-UHFFFAOYSA-N 1 2 259.317 1.492 20 30 CDEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C[C@@]2(CCOC2)CC1=O ZINC000756846932 577008402 /nfs/dbraw/zinc/00/84/02/577008402.db2.gz IPBMVMNTQMNOGJ-QGZVFWFLSA-N 1 2 299.374 1.587 20 30 CDEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C[C@@]2(CCOC2)CC1=O ZINC000756846932 577008405 /nfs/dbraw/zinc/00/84/05/577008405.db2.gz IPBMVMNTQMNOGJ-QGZVFWFLSA-N 1 2 299.374 1.587 20 30 CDEDLO C#CCCCCNC(=O)NCCCCn1cc[nH+]c1 ZINC000758710504 577128349 /nfs/dbraw/zinc/12/83/49/577128349.db2.gz SOGHIEUGTVZJCB-UHFFFAOYSA-N 1 2 262.357 1.766 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Nc1cc(C#N)cc(Cl)n1 ZINC000122699503 1175245011 /nfs/dbraw/zinc/24/50/11/1175245011.db2.gz DHSALDOTXBWCQX-SNVBAGLBSA-N 1 2 280.759 1.739 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000820219062 607086685 /nfs/dbraw/zinc/08/66/85/607086685.db2.gz CCWNURQYEOUWJC-VIFPVBQESA-N 1 2 274.303 1.740 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000820219062 607086687 /nfs/dbraw/zinc/08/66/87/607086687.db2.gz CCWNURQYEOUWJC-VIFPVBQESA-N 1 2 274.303 1.740 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(OC)ccn2)C1 ZINC000951120125 612991742 /nfs/dbraw/zinc/99/17/42/612991742.db2.gz KWHMVFFARZSMSK-UHFFFAOYSA-N 1 2 287.363 1.260 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cccc(F)c2)C1 ZINC000949600939 612992057 /nfs/dbraw/zinc/99/20/57/612992057.db2.gz BZGRUTLEDFQSLO-UHFFFAOYSA-N 1 2 274.339 1.995 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2oc(C3CC3)nc2C)CC1 ZINC000982123420 613160619 /nfs/dbraw/zinc/16/06/19/613160619.db2.gz QVWXCVDCTVZODQ-UHFFFAOYSA-N 1 2 287.363 1.642 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2oc(C3CC3)nc2C)CC1 ZINC000982123420 613160622 /nfs/dbraw/zinc/16/06/22/613160622.db2.gz QVWXCVDCTVZODQ-UHFFFAOYSA-N 1 2 287.363 1.642 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)/C=C(\C)C3CC3)C2)C1 ZINC000972279191 613211802 /nfs/dbraw/zinc/21/18/02/613211802.db2.gz NLLLNFJMCOSMAM-GWKQRERASA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)/C=C(\C)C3CC3)C2)C1 ZINC000972279191 613211803 /nfs/dbraw/zinc/21/18/03/613211803.db2.gz NLLLNFJMCOSMAM-GWKQRERASA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(F)CCCC3)C2)C1 ZINC000972441212 613212379 /nfs/dbraw/zinc/21/23/79/613212379.db2.gz OXMFYAHNMGYGJQ-OAHLLOKOSA-N 1 2 294.370 1.205 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(F)CCCC3)C2)C1 ZINC000972441212 613212380 /nfs/dbraw/zinc/21/23/80/613212380.db2.gz OXMFYAHNMGYGJQ-OAHLLOKOSA-N 1 2 294.370 1.205 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccnnc2C)C1 ZINC000950766359 613296914 /nfs/dbraw/zinc/29/69/14/613296914.db2.gz BMVPSCCMDMMYRJ-UHFFFAOYSA-N 1 2 274.368 1.507 20 30 CDEDLO C=C(C)C[N@@H+]1CCCN(C(=O)c2cnns2)CC1 ZINC000980754165 613313380 /nfs/dbraw/zinc/31/33/80/613313380.db2.gz JMYWNQBIZNKYNS-UHFFFAOYSA-N 1 2 266.370 1.262 20 30 CDEDLO C=C(C)C[N@H+]1CCCN(C(=O)c2cnns2)CC1 ZINC000980754165 613313382 /nfs/dbraw/zinc/31/33/82/613313382.db2.gz JMYWNQBIZNKYNS-UHFFFAOYSA-N 1 2 266.370 1.262 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc3n[nH]cc3c2)CC1 ZINC000949911831 613321037 /nfs/dbraw/zinc/32/10/37/613321037.db2.gz GSXPVVPCCJNVTO-UHFFFAOYSA-N 1 2 284.363 1.897 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cn(CCC)nc2C)CC1 ZINC000952399133 613321507 /nfs/dbraw/zinc/32/15/07/613321507.db2.gz GPRFWCOHQDCCFT-UHFFFAOYSA-N 1 2 290.411 1.935 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnn(CC(C)C)c2)CC1 ZINC000952426732 613321879 /nfs/dbraw/zinc/32/18/79/613321879.db2.gz JTYSIJLKDSIABS-UHFFFAOYSA-N 1 2 290.411 1.873 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2n[nH]cc2F)C1 ZINC000970375260 613372015 /nfs/dbraw/zinc/37/20/15/613372015.db2.gz CNOVOZSGZFYLDM-MRVPVSSYSA-N 1 2 286.738 1.351 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccnn2CC)C1 ZINC000969552304 613372410 /nfs/dbraw/zinc/37/24/10/613372410.db2.gz ULZZVAOOIDYKIV-NSHDSACASA-N 1 2 296.802 1.706 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccnn2C)C1 ZINC000965529564 613375652 /nfs/dbraw/zinc/37/56/52/613375652.db2.gz SLYFEGRLVBHMBC-PWSUYJOCSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccnn2C)C1 ZINC000965529564 613375653 /nfs/dbraw/zinc/37/56/53/613375653.db2.gz SLYFEGRLVBHMBC-PWSUYJOCSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC000967700096 613377845 /nfs/dbraw/zinc/37/78/45/613377845.db2.gz FUQUOKMLRRMKOB-GZMMTYOYSA-N 1 2 297.790 1.306 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC000967700096 613377846 /nfs/dbraw/zinc/37/78/46/613377846.db2.gz FUQUOKMLRRMKOB-GZMMTYOYSA-N 1 2 297.790 1.306 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]n2)C(C)(C)C1 ZINC000940859867 613379320 /nfs/dbraw/zinc/37/93/20/613379320.db2.gz XAEBTUXOHBZBOV-NSHDSACASA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]n2)C(C)(C)C1 ZINC000940859867 613379321 /nfs/dbraw/zinc/37/93/21/613379321.db2.gz XAEBTUXOHBZBOV-NSHDSACASA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn[nH]2)C(C)(C)C1 ZINC000940859867 613379322 /nfs/dbraw/zinc/37/93/22/613379322.db2.gz XAEBTUXOHBZBOV-NSHDSACASA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn[nH]2)C(C)(C)C1 ZINC000940859867 613379323 /nfs/dbraw/zinc/37/93/23/613379323.db2.gz XAEBTUXOHBZBOV-NSHDSACASA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2cccn2)C(C)(C)C1 ZINC000972807442 613379959 /nfs/dbraw/zinc/37/99/59/613379959.db2.gz BQFCQKRZKSPPCA-GFCCVEGCSA-N 1 2 296.802 1.462 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2cccn2)C(C)(C)C1 ZINC000972807442 613379960 /nfs/dbraw/zinc/37/99/60/613379960.db2.gz BQFCQKRZKSPPCA-GFCCVEGCSA-N 1 2 296.802 1.462 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CC[C@@H]2CCCOC2)CC1 ZINC000956952990 613561850 /nfs/dbraw/zinc/56/18/50/613561850.db2.gz TZHACSPLJRSHQK-HNNXBMFYSA-N 1 2 278.396 1.361 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@H](F)C2)C1 ZINC000951387708 613654219 /nfs/dbraw/zinc/65/42/19/613654219.db2.gz WEPOAKFMZRGURY-NEPJUHHUSA-N 1 2 254.349 1.843 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CO[C@@H]2CCCC[C@H]2C)CC1 ZINC000951130755 613708448 /nfs/dbraw/zinc/70/84/48/613708448.db2.gz NJWJATBLUVNSHP-HUUCEWRRSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CC[C@H](OC)C2)CC1 ZINC000948948106 613713319 /nfs/dbraw/zinc/71/33/19/613713319.db2.gz FPFGYCYYLUEMBR-STQMWFEESA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1 ZINC000949522899 613715786 /nfs/dbraw/zinc/71/57/86/613715786.db2.gz BCMHXNOMKXRVDJ-UHFFFAOYSA-N 1 2 296.374 1.816 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3[nH]c(C)nc3c2)CC1 ZINC000952442491 613716477 /nfs/dbraw/zinc/71/64/77/613716477.db2.gz RMYIJZFEKNVWHJ-UHFFFAOYSA-N 1 2 284.363 1.815 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)SC)C2)C1 ZINC000972269121 613723442 /nfs/dbraw/zinc/72/34/42/613723442.db2.gz IUEDYCUVWZXKCG-JSGCOSHPSA-N 1 2 284.425 1.227 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)SC)C2)C1 ZINC000972269121 613723443 /nfs/dbraw/zinc/72/34/43/613723443.db2.gz IUEDYCUVWZXKCG-JSGCOSHPSA-N 1 2 284.425 1.227 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)CC)C2)C1 ZINC000972269423 613723777 /nfs/dbraw/zinc/72/37/77/613723777.db2.gz NCRUQLMGNLXOAI-ZFWWWQNUSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)CC)C2)C1 ZINC000972269423 613723781 /nfs/dbraw/zinc/72/37/81/613723781.db2.gz NCRUQLMGNLXOAI-ZFWWWQNUSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C)o3)C2)C1 ZINC000972250147 613724615 /nfs/dbraw/zinc/72/46/15/613724615.db2.gz YSDOWEVZJIRFDP-INIZCTEOSA-N 1 2 290.363 1.691 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C)o3)C2)C1 ZINC000972250147 613724618 /nfs/dbraw/zinc/72/46/18/613724618.db2.gz YSDOWEVZJIRFDP-INIZCTEOSA-N 1 2 290.363 1.691 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)C=CCC3)C2)C1 ZINC000972506731 613726785 /nfs/dbraw/zinc/72/67/85/613726785.db2.gz PKQYXMGZROONGL-DLBZAZTESA-N 1 2 290.407 1.832 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)C=CCC3)C2)C1 ZINC000972506731 613726786 /nfs/dbraw/zinc/72/67/86/613726786.db2.gz PKQYXMGZROONGL-DLBZAZTESA-N 1 2 290.407 1.832 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3nocc3C)C2)C1 ZINC000972628094 613727789 /nfs/dbraw/zinc/72/77/89/613727789.db2.gz NMLIOADFHLVZJD-OAHLLOKOSA-N 1 2 291.351 1.086 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3nocc3C)C2)C1 ZINC000972628094 613727791 /nfs/dbraw/zinc/72/77/91/613727791.db2.gz NMLIOADFHLVZJD-OAHLLOKOSA-N 1 2 291.351 1.086 20 30 CDEDLO C=CC[NH2+][C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000968752543 613864494 /nfs/dbraw/zinc/86/44/94/613864494.db2.gz NROWTEMWAUMJOC-HTQZYQBOSA-N 1 2 254.227 1.263 20 30 CDEDLO C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000968752543 613864495 /nfs/dbraw/zinc/86/44/95/613864495.db2.gz NROWTEMWAUMJOC-HTQZYQBOSA-N 1 2 254.227 1.263 20 30 CDEDLO CS(=O)(=O)NC1CC[NH+](Cc2csc(C#N)c2)CC1 ZINC000891541771 617466586 /nfs/dbraw/zinc/46/65/86/617466586.db2.gz HRMWFHLUSXFQKM-UHFFFAOYSA-N 1 2 299.421 1.133 20 30 CDEDLO C#CCSCCNc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000892641679 617555538 /nfs/dbraw/zinc/55/55/38/617555538.db2.gz YTWYTOUGOXCODP-LLVKDONJSA-N 1 2 280.397 1.438 20 30 CDEDLO C#CCSCCNc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000892641679 617555542 /nfs/dbraw/zinc/55/55/42/617555542.db2.gz YTWYTOUGOXCODP-LLVKDONJSA-N 1 2 280.397 1.438 20 30 CDEDLO C[N@@H+](Cc1ccon1)C[C@@H]1CCCN1C(=O)C#CC1CC1 ZINC000960614040 616087252 /nfs/dbraw/zinc/08/72/52/616087252.db2.gz PYEKJKMLKRZBMQ-HNNXBMFYSA-N 1 2 287.363 1.511 20 30 CDEDLO C[N@H+](Cc1ccon1)C[C@@H]1CCCN1C(=O)C#CC1CC1 ZINC000960614040 616087254 /nfs/dbraw/zinc/08/72/54/616087254.db2.gz PYEKJKMLKRZBMQ-HNNXBMFYSA-N 1 2 287.363 1.511 20 30 CDEDLO Cc1cc(NCCn2cnc(C#N)n2)nc(C2CCC2)[nH+]1 ZINC000893836694 618069498 /nfs/dbraw/zinc/06/94/98/618069498.db2.gz SVDOPLAHENEREF-UHFFFAOYSA-N 1 2 283.339 1.628 20 30 CDEDLO COCCOc1ccc(C[NH2+]Cc2ccc(C#N)cn2)o1 ZINC000893869169 618106563 /nfs/dbraw/zinc/10/65/63/618106563.db2.gz SMSYXVIOXTXODF-UHFFFAOYSA-N 1 2 287.319 1.861 20 30 CDEDLO C=CCC[C@H]1NC(=O)N([C@H]2CCn3cc[nH+]c3C2)C1=O ZINC000927653679 618429815 /nfs/dbraw/zinc/42/98/15/618429815.db2.gz JQGRACQYJKKENE-WDEREUQCSA-N 1 2 274.324 1.085 20 30 CDEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1csc(C#N)c1)CCO2 ZINC000894140572 618618450 /nfs/dbraw/zinc/61/84/50/618618450.db2.gz BWVPYGKHTPSERG-SMDDNHRTSA-N 1 2 278.377 2.000 20 30 CDEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1csc(C#N)c1)CCO2 ZINC000894140572 618618454 /nfs/dbraw/zinc/61/84/54/618618454.db2.gz BWVPYGKHTPSERG-SMDDNHRTSA-N 1 2 278.377 2.000 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C/C(Cl)=C/Cl)nn1 ZINC000881429146 619134877 /nfs/dbraw/zinc/13/48/77/619134877.db2.gz KLFLOGOETFTPTL-UITAMQMPSA-N 1 2 259.140 1.710 20 30 CDEDLO N#Cc1ccc(C[NH2+][C@H]2CCCN(O)C2=O)c(F)c1 ZINC000895163819 619387982 /nfs/dbraw/zinc/38/79/82/619387982.db2.gz ZFZVYFZKGFEBCJ-LBPRGKRZSA-N 1 2 263.272 1.167 20 30 CDEDLO C=C[C@@H](CC)CC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000909526474 619772366 /nfs/dbraw/zinc/77/23/66/619772366.db2.gz YDGVWMJZEDRYBW-STQMWFEESA-N 1 2 255.358 1.853 20 30 CDEDLO C=C[C@@H](CC)CC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000909526474 619772367 /nfs/dbraw/zinc/77/23/67/619772367.db2.gz YDGVWMJZEDRYBW-STQMWFEESA-N 1 2 255.358 1.853 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ncc(C#N)s1 ZINC000896492891 620116684 /nfs/dbraw/zinc/11/66/84/620116684.db2.gz JYCRTVNSLVPOFQ-ZETCQYMHSA-N 1 2 261.310 1.555 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ncc(C#N)s1 ZINC000896492891 620116686 /nfs/dbraw/zinc/11/66/86/620116686.db2.gz JYCRTVNSLVPOFQ-ZETCQYMHSA-N 1 2 261.310 1.555 20 30 CDEDLO C[C@H](C#N)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000896741974 620220373 /nfs/dbraw/zinc/22/03/73/620220373.db2.gz JAQUQOWAUFMBCI-SKDRFNHKSA-N 1 2 261.329 1.066 20 30 CDEDLO C[C@H](C#N)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000896741974 620220376 /nfs/dbraw/zinc/22/03/76/620220376.db2.gz JAQUQOWAUFMBCI-SKDRFNHKSA-N 1 2 261.329 1.066 20 30 CDEDLO C#C[C@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C(C)(C)C ZINC000897774379 621103857 /nfs/dbraw/zinc/10/38/57/621103857.db2.gz FCMLQLZEUNZQLF-KGLIPLIRSA-N 1 2 288.395 1.954 20 30 CDEDLO C#C[C@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C(C)(C)C ZINC000897774379 621103863 /nfs/dbraw/zinc/10/38/63/621103863.db2.gz FCMLQLZEUNZQLF-KGLIPLIRSA-N 1 2 288.395 1.954 20 30 CDEDLO N#CCCN(CC1CC1)C(=O)CNc1cccc[nH+]1 ZINC000900565465 623238859 /nfs/dbraw/zinc/23/88/59/623238859.db2.gz CRHYINONHJEBHY-UHFFFAOYSA-N 1 2 258.325 1.646 20 30 CDEDLO CC(=Cc1[nH]c(C)c(C)[nH+]1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000901498265 624301785 /nfs/dbraw/zinc/30/17/85/624301785.db2.gz LOAJVKQRWGDVCA-ALCCZGGFSA-N 1 2 269.308 1.850 20 30 CDEDLO N#C[C@@H]1CCCN(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000914308582 631341495 /nfs/dbraw/zinc/34/14/95/631341495.db2.gz VPKFVQAQFXJPQU-ZDUSSCGKSA-N 1 2 275.356 1.608 20 30 CDEDLO CCc1noc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)C#CC(C)C)n1 ZINC001754226629 1158982852 /nfs/dbraw/zinc/98/28/52/1158982852.db2.gz UZZRIOFIDLLZKA-VXGBXAGGSA-N 1 2 292.383 1.447 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@@H]2C(NC(=O)/C(C)=C/C)[C@@H]2C1 ZINC001114123434 1162427511 /nfs/dbraw/zinc/42/75/11/1162427511.db2.gz ZMZLQOIETOPWIP-YPFLYVHJSA-N 1 2 299.212 1.908 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@@H]2C(NC(=O)/C(C)=C/C)[C@@H]2C1 ZINC001114123434 1162427514 /nfs/dbraw/zinc/42/75/14/1162427514.db2.gz ZMZLQOIETOPWIP-YPFLYVHJSA-N 1 2 299.212 1.908 20 30 CDEDLO C=CCn1cccc1C(=O)NCC[NH2+]Cc1nncs1 ZINC001129502402 1162477442 /nfs/dbraw/zinc/47/74/42/1162477442.db2.gz DDSVOUQHEAIRAK-UHFFFAOYSA-N 1 2 291.380 1.045 20 30 CDEDLO COc1c(C)c[nH+]c(CNC(=O)c2cnccc2C#N)c1C ZINC000805172922 1162543389 /nfs/dbraw/zinc/54/33/89/1162543389.db2.gz SSWFANNRTIRPTB-UHFFFAOYSA-N 1 2 296.330 1.904 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCCSC(C)C ZINC000805224879 1162555574 /nfs/dbraw/zinc/55/55/74/1162555574.db2.gz CQCJWTHRSIXFAD-LBPRGKRZSA-N 1 2 254.399 1.342 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCSC(C)C ZINC000805224879 1162555579 /nfs/dbraw/zinc/55/55/79/1162555579.db2.gz CQCJWTHRSIXFAD-LBPRGKRZSA-N 1 2 254.399 1.342 20 30 CDEDLO C=CC[C@H]([NH2+][C@@H]1CC[C@@H](C(=O)OC)C1)C(=O)OC ZINC001170516000 1162725437 /nfs/dbraw/zinc/72/54/37/1162725437.db2.gz DCOUHSQCSYQNGR-MXWKQRLJSA-N 1 2 255.314 1.035 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc2cccnc2n1C ZINC000807260437 1162745965 /nfs/dbraw/zinc/74/59/65/1162745965.db2.gz MRPCLLCYDGUTST-LBPRGKRZSA-N 1 2 283.335 1.004 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc2cccnc2n1C ZINC000807260437 1162745969 /nfs/dbraw/zinc/74/59/69/1162745969.db2.gz MRPCLLCYDGUTST-LBPRGKRZSA-N 1 2 283.335 1.004 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001038251194 1159200691 /nfs/dbraw/zinc/20/06/91/1159200691.db2.gz DMRFAPQLCLEQII-ZACQAIPSSA-N 1 2 298.386 1.730 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001038251194 1159200698 /nfs/dbraw/zinc/20/06/98/1159200698.db2.gz DMRFAPQLCLEQII-ZACQAIPSSA-N 1 2 298.386 1.730 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1csc(C#N)c1 ZINC001771722699 1160122124 /nfs/dbraw/zinc/12/21/24/1160122124.db2.gz QTYABIJYGIKYMQ-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1csc(C#N)c1 ZINC001771722699 1160122126 /nfs/dbraw/zinc/12/21/26/1160122126.db2.gz QTYABIJYGIKYMQ-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C(CC)CC)nn2)C1 ZINC001107132086 1161311431 /nfs/dbraw/zinc/31/14/31/1161311431.db2.gz JRYQZRLAGIWNSV-UHFFFAOYSA-N 1 2 291.399 1.373 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN(C)c1ccccc1 ZINC001032811508 1161440172 /nfs/dbraw/zinc/44/01/72/1161440172.db2.gz CBMZTVSYLAEECE-HOTGVXAUSA-N 1 2 283.375 1.041 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN(C)c1ccccc1 ZINC001032811508 1161440174 /nfs/dbraw/zinc/44/01/74/1161440174.db2.gz CBMZTVSYLAEECE-HOTGVXAUSA-N 1 2 283.375 1.041 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)n2cncn2)C1 ZINC001033023908 1161478911 /nfs/dbraw/zinc/47/89/11/1161478911.db2.gz YQNCOLCNNDHYKU-VXGBXAGGSA-N 1 2 297.790 1.124 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)n2cncn2)C1 ZINC001033023908 1161478914 /nfs/dbraw/zinc/47/89/14/1161478914.db2.gz YQNCOLCNNDHYKU-VXGBXAGGSA-N 1 2 297.790 1.124 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001108416150 1161992540 /nfs/dbraw/zinc/99/25/40/1161992540.db2.gz LWERSHQDKOJCAS-QWRGUYRKSA-N 1 2 278.356 1.293 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](CC(C)C)OC)CC1 ZINC001113320517 1162153755 /nfs/dbraw/zinc/15/37/55/1162153755.db2.gz FFTWUQIDVHWHSD-OAHLLOKOSA-N 1 2 298.427 1.394 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001132401840 1163268591 /nfs/dbraw/zinc/26/85/91/1163268591.db2.gz GRJSPOJBGLXHNK-UHFFFAOYSA-N 1 2 251.330 1.401 20 30 CDEDLO C=CCC1(C(=O)NCC[NH2+]Cc2csnn2)CCC1 ZINC001133392061 1163670255 /nfs/dbraw/zinc/67/02/55/1163670255.db2.gz FRMSGRFXDAKIIW-UHFFFAOYSA-N 1 2 280.397 1.490 20 30 CDEDLO C=CCC1(C(=O)NCC[NH2+]Cc2cnon2)CCC1 ZINC001133395590 1163672130 /nfs/dbraw/zinc/67/21/30/1163672130.db2.gz RMRBBIIACJHPLD-UHFFFAOYSA-N 1 2 264.329 1.022 20 30 CDEDLO N#CCc1ccnc(NC(=O)NCCCn2cc[nH+]c2)c1 ZINC000871718315 1165334697 /nfs/dbraw/zinc/33/46/97/1165334697.db2.gz DNPQQRMIGLWSMR-UHFFFAOYSA-N 1 2 284.323 1.556 20 30 CDEDLO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@H]1CCNC1=O)c1ccccc1 ZINC000878307099 1166169923 /nfs/dbraw/zinc/16/99/23/1166169923.db2.gz KLOLKPPKPREIGP-RDJZCZTQSA-N 1 2 299.374 1.247 20 30 CDEDLO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@H]1CCNC1=O)c1ccccc1 ZINC000878307099 1166169926 /nfs/dbraw/zinc/16/99/26/1166169926.db2.gz KLOLKPPKPREIGP-RDJZCZTQSA-N 1 2 299.374 1.247 20 30 CDEDLO CC#CC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000127533868 1166303132 /nfs/dbraw/zinc/30/31/32/1166303132.db2.gz RDLMBAOUABSNMP-GFCCVEGCSA-N 1 2 252.358 1.951 20 30 CDEDLO CC#CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000127533868 1166303140 /nfs/dbraw/zinc/30/31/40/1166303140.db2.gz RDLMBAOUABSNMP-GFCCVEGCSA-N 1 2 252.358 1.951 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001663291499 1172668331 /nfs/dbraw/zinc/66/83/31/1172668331.db2.gz LGLGTBSROOTBGY-NWDGAFQWSA-N 1 2 256.777 1.833 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001663291499 1172668334 /nfs/dbraw/zinc/66/83/34/1172668334.db2.gz LGLGTBSROOTBGY-NWDGAFQWSA-N 1 2 256.777 1.833 20 30 CDEDLO C=C[C@H](COC)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001588525785 1173074981 /nfs/dbraw/zinc/07/49/81/1173074981.db2.gz KRKXCPPYEFAZPJ-NXEZZACHSA-N 1 2 289.339 1.424 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccc(=O)[nH]c1 ZINC001713474886 1178590166 /nfs/dbraw/zinc/59/01/66/1178590166.db2.gz MJBVZVXEOUVZTI-UHFFFAOYSA-N 1 2 269.732 1.201 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccc(=O)[nH]c1 ZINC001713474886 1178590171 /nfs/dbraw/zinc/59/01/71/1178590171.db2.gz MJBVZVXEOUVZTI-UHFFFAOYSA-N 1 2 269.732 1.201 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1CNCC#N ZINC001752830350 1184927187 /nfs/dbraw/zinc/92/71/87/1184927187.db2.gz CIWZVJPNTHVUAE-GXTWGEPZSA-N 1 2 289.383 1.083 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1CNCC#N ZINC001752830350 1184927190 /nfs/dbraw/zinc/92/71/90/1184927190.db2.gz CIWZVJPNTHVUAE-GXTWGEPZSA-N 1 2 289.383 1.083 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[N@H+](C)CC(=O)NC(C)(C)C ZINC001753061503 1185029138 /nfs/dbraw/zinc/02/91/38/1185029138.db2.gz IPUUWXTVIGLQLX-CYBMUJFWSA-N 1 2 297.443 1.551 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[N@@H+](C)CC(=O)NC(C)(C)C ZINC001753061503 1185029143 /nfs/dbraw/zinc/02/91/43/1185029143.db2.gz IPUUWXTVIGLQLX-CYBMUJFWSA-N 1 2 297.443 1.551 20 30 CDEDLO C[C@@H]([NH2+]CCN(C)C(=O)C#CC(C)(C)C)c1csnn1 ZINC001753187631 1185110226 /nfs/dbraw/zinc/11/02/26/1185110226.db2.gz OOSDVIDALQELBU-LLVKDONJSA-N 1 2 294.424 1.697 20 30 CDEDLO C=CCN1CC[NH+](CCN(C)C(=O)[C@@H]2CC23CCC3)CC1 ZINC001753343460 1185162912 /nfs/dbraw/zinc/16/29/12/1185162912.db2.gz QFKCPILOBBZZOR-HNNXBMFYSA-N 1 2 291.439 1.439 20 30 CDEDLO COc1cc(C[N@H+](C)C[C@H](C)NC(=O)C#CC2CC2)on1 ZINC001754309501 1185568682 /nfs/dbraw/zinc/56/86/82/1185568682.db2.gz ARIOZWMMUJQTIQ-NSHDSACASA-N 1 2 291.351 1.033 20 30 CDEDLO COc1cc(C[N@@H+](C)C[C@H](C)NC(=O)C#CC2CC2)on1 ZINC001754309501 1185568688 /nfs/dbraw/zinc/56/86/88/1185568688.db2.gz ARIOZWMMUJQTIQ-NSHDSACASA-N 1 2 291.351 1.033 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](CCC)OCC ZINC001754492037 1185640253 /nfs/dbraw/zinc/64/02/53/1185640253.db2.gz UMPPSNFTMYTBDO-CHWSQXEVSA-N 1 2 252.358 1.015 20 30 CDEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@]2(C)CCC[C@H]2C)C1 ZINC001755336243 1185923045 /nfs/dbraw/zinc/92/30/45/1185923045.db2.gz MAUOKLADABEBSH-GDBMZVCRSA-N 1 2 294.439 1.942 20 30 CDEDLO CCn1ccc(C[N@H+](C)Cn2cccc(C#N)c2=O)c1 ZINC000790450169 783662030 /nfs/dbraw/zinc/66/20/30/783662030.db2.gz GLMGLMFIFNEGEM-UHFFFAOYSA-N 1 2 270.336 1.631 20 30 CDEDLO CCn1ccc(C[N@@H+](C)Cn2cccc(C#N)c2=O)c1 ZINC000790450169 783662035 /nfs/dbraw/zinc/66/20/35/783662035.db2.gz GLMGLMFIFNEGEM-UHFFFAOYSA-N 1 2 270.336 1.631 20 30 CDEDLO Cc1cc(C)c(C(=O)N[C@H]2CCN(CC#N)C2)c(C)[nH+]1 ZINC001015335665 783689515 /nfs/dbraw/zinc/68/95/15/783689515.db2.gz ANRUFFSPLJEHIT-ZDUSSCGKSA-N 1 2 272.352 1.335 20 30 CDEDLO C#C[C@H]([NH2+][C@@H](C)C(=O)c1c[nH]c2ncccc12)[C@@H]1CCCO1 ZINC000775793770 783771874 /nfs/dbraw/zinc/77/18/74/783771874.db2.gz NWDRBHWMLGXXKJ-CQDKDKBSSA-N 1 2 297.358 1.905 20 30 CDEDLO C#CCNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000053557093 783775719 /nfs/dbraw/zinc/77/57/19/783775719.db2.gz AAERYFLFNCOFHP-UHFFFAOYSA-N 1 2 263.366 1.209 20 30 CDEDLO C#C[C@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)[C@H]1CCCO1 ZINC000775795276 783840584 /nfs/dbraw/zinc/84/05/84/783840584.db2.gz MRXGBVORRAJHMF-JKSUJKDBSA-N 1 2 298.342 1.615 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3nc(C)oc3c2)C1 ZINC001030476809 783842929 /nfs/dbraw/zinc/84/29/29/783842929.db2.gz OIGRBCPKMAVQRY-UHFFFAOYSA-N 1 2 283.331 1.574 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000880216380 783851401 /nfs/dbraw/zinc/85/14/01/783851401.db2.gz XMZYRYJPISWPLR-BETUJISGSA-N 1 2 266.385 1.568 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000880216380 783851407 /nfs/dbraw/zinc/85/14/07/783851407.db2.gz XMZYRYJPISWPLR-BETUJISGSA-N 1 2 266.385 1.568 20 30 CDEDLO C=C(Br)C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000111696365 783906143 /nfs/dbraw/zinc/90/61/43/783906143.db2.gz VLHWLBBRILDHEI-LLVKDONJSA-N 1 2 287.201 1.982 20 30 CDEDLO C=C(Br)C[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000111696365 783906148 /nfs/dbraw/zinc/90/61/48/783906148.db2.gz VLHWLBBRILDHEI-LLVKDONJSA-N 1 2 287.201 1.982 20 30 CDEDLO COC[C@H](C#N)OC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000811327373 783964466 /nfs/dbraw/zinc/96/44/66/783964466.db2.gz RXGGXGPVIOAURZ-HNNXBMFYSA-N 1 2 299.330 1.556 20 30 CDEDLO C=C(Br)C[NH+]1CCC(N2CCOC2=O)CC1 ZINC000852722822 784078120 /nfs/dbraw/zinc/07/81/20/784078120.db2.gz KFDZKPPUHWSYNM-UHFFFAOYSA-N 1 2 289.173 1.812 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2nccnc2c1 ZINC001039006530 784078507 /nfs/dbraw/zinc/07/85/07/784078507.db2.gz SDHDABCIIIBXTJ-CQSZACIVSA-N 1 2 294.358 1.457 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2nccnc2c1 ZINC001039006530 784078514 /nfs/dbraw/zinc/07/85/14/784078514.db2.gz SDHDABCIIIBXTJ-CQSZACIVSA-N 1 2 294.358 1.457 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cn[nH]c2)c1 ZINC001038070649 784111514 /nfs/dbraw/zinc/11/15/14/784111514.db2.gz QAKRGLDZANKRAV-HNNXBMFYSA-N 1 2 295.346 1.286 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cn[nH]c2)c1 ZINC001038070649 784111522 /nfs/dbraw/zinc/11/15/22/784111522.db2.gz QAKRGLDZANKRAV-HNNXBMFYSA-N 1 2 295.346 1.286 20 30 CDEDLO COc1cc2c(cc1Cl)C[N@H+](C[C@H](O)CC#N)CC2 ZINC000930584596 784124068 /nfs/dbraw/zinc/12/40/68/784124068.db2.gz GGRRQONDMJPBGC-GFCCVEGCSA-N 1 2 280.755 1.981 20 30 CDEDLO COc1cc2c(cc1Cl)C[N@@H+](C[C@H](O)CC#N)CC2 ZINC000930584596 784124080 /nfs/dbraw/zinc/12/40/80/784124080.db2.gz GGRRQONDMJPBGC-GFCCVEGCSA-N 1 2 280.755 1.981 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccoc2CC)C1 ZINC001035356152 784162447 /nfs/dbraw/zinc/16/24/47/784162447.db2.gz NDXNWDHBFUPNAI-LBPRGKRZSA-N 1 2 278.352 1.459 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccoc2CC)C1 ZINC001035356152 784162451 /nfs/dbraw/zinc/16/24/51/784162451.db2.gz NDXNWDHBFUPNAI-LBPRGKRZSA-N 1 2 278.352 1.459 20 30 CDEDLO C[C@@H]1C[C@H](NCC#N)CN1C(=O)c1cccc2[nH+]ccn21 ZINC000989187316 784213587 /nfs/dbraw/zinc/21/35/87/784213587.db2.gz ZUUWMUIMDIDNSK-NEPJUHHUSA-N 1 2 283.335 1.050 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)CC(C)(C)C#N ZINC000785087433 784260739 /nfs/dbraw/zinc/26/07/39/784260739.db2.gz VCFJAJQBKIEQFM-LLVKDONJSA-N 1 2 254.330 1.190 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3CC[C@H](N(C)CC#N)C3)ccn12 ZINC000971537317 784267085 /nfs/dbraw/zinc/26/70/85/784267085.db2.gz KJPQOVXIMRCTBP-AWEZNQCLSA-N 1 2 297.362 1.313 20 30 CDEDLO C=C[C@@H](O)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000816835358 784319545 /nfs/dbraw/zinc/31/95/45/784319545.db2.gz CKVOYQXCPFSDCS-ZYHUDNBSSA-N 1 2 295.408 1.860 20 30 CDEDLO C=C[C@@H](O)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000816835358 784319549 /nfs/dbraw/zinc/31/95/49/784319549.db2.gz CKVOYQXCPFSDCS-ZYHUDNBSSA-N 1 2 295.408 1.860 20 30 CDEDLO Cc1ncccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N ZINC001032319517 784354179 /nfs/dbraw/zinc/35/41/79/784354179.db2.gz VQUOBNGCRPWJAI-UGFHNGPFSA-N 1 2 284.363 1.335 20 30 CDEDLO Cc1ncccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N ZINC001032319517 784354192 /nfs/dbraw/zinc/35/41/92/784354192.db2.gz VQUOBNGCRPWJAI-UGFHNGPFSA-N 1 2 284.363 1.335 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)C1CCCC1 ZINC001032756018 784443379 /nfs/dbraw/zinc/44/33/79/784443379.db2.gz XAWCBMFKBXBJRA-HRCADAONSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)C1CCCC1 ZINC001032756018 784443396 /nfs/dbraw/zinc/44/33/96/784443396.db2.gz XAWCBMFKBXBJRA-HRCADAONSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1noc2c1CCCC2 ZINC000807736554 784619993 /nfs/dbraw/zinc/61/99/93/784619993.db2.gz BFTFJPJVOBTORQ-AWEZNQCLSA-N 1 2 287.363 1.267 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1noc2c1CCCC2 ZINC000807736554 784620005 /nfs/dbraw/zinc/62/00/05/784620005.db2.gz BFTFJPJVOBTORQ-AWEZNQCLSA-N 1 2 287.363 1.267 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Oc1cccc(C)c1 ZINC001032769653 784647101 /nfs/dbraw/zinc/64/71/01/784647101.db2.gz QSFZTYVYOQFVAJ-PMPSAXMXSA-N 1 2 298.386 1.681 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Oc1cccc(C)c1 ZINC001032769653 784647109 /nfs/dbraw/zinc/64/71/09/784647109.db2.gz QSFZTYVYOQFVAJ-PMPSAXMXSA-N 1 2 298.386 1.681 20 30 CDEDLO C#CC[N@@H+](CC(=O)N1CCO[C@H](C)C1)Cc1ccccc1 ZINC000796640346 784666766 /nfs/dbraw/zinc/66/67/66/784666766.db2.gz QVLKIUOESAMFFE-OAHLLOKOSA-N 1 2 286.375 1.369 20 30 CDEDLO C#CC[N@H+](CC(=O)N1CCO[C@H](C)C1)Cc1ccccc1 ZINC000796640346 784666779 /nfs/dbraw/zinc/66/67/79/784666779.db2.gz QVLKIUOESAMFFE-OAHLLOKOSA-N 1 2 286.375 1.369 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2C=CC=CC=C2)C1 ZINC001035381715 784726965 /nfs/dbraw/zinc/72/69/65/784726965.db2.gz STGGEZIAGGHVJJ-INIZCTEOSA-N 1 2 288.391 1.678 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C2C=CC=CC=C2)C1 ZINC001035381715 784726978 /nfs/dbraw/zinc/72/69/78/784726978.db2.gz STGGEZIAGGHVJJ-INIZCTEOSA-N 1 2 288.391 1.678 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c(C3CC3)cnn2C)C1 ZINC001030422377 784741956 /nfs/dbraw/zinc/74/19/56/784741956.db2.gz AZYAKMWZYAZPNF-UHFFFAOYSA-N 1 2 274.368 1.288 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(F)F ZINC001017920960 784752895 /nfs/dbraw/zinc/75/28/95/784752895.db2.gz WVDRQYZAWQKPNR-PHIMTYICSA-N 1 2 270.323 1.586 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(F)F ZINC001017920960 784752903 /nfs/dbraw/zinc/75/29/03/784752903.db2.gz WVDRQYZAWQKPNR-PHIMTYICSA-N 1 2 270.323 1.586 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1conc1COC ZINC001018166334 784889531 /nfs/dbraw/zinc/88/95/31/784889531.db2.gz FMGCSGYHUUPMKL-TXEJJXNPSA-N 1 2 291.351 1.296 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1conc1COC ZINC001018166334 784889534 /nfs/dbraw/zinc/88/95/34/784889534.db2.gz FMGCSGYHUUPMKL-TXEJJXNPSA-N 1 2 291.351 1.296 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000795411077 784900744 /nfs/dbraw/zinc/90/07/44/784900744.db2.gz AEKDONWRVNYJES-LBPRGKRZSA-N 1 2 258.321 1.019 20 30 CDEDLO C#CCNC(=O)C[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000795411077 784900761 /nfs/dbraw/zinc/90/07/61/784900761.db2.gz AEKDONWRVNYJES-LBPRGKRZSA-N 1 2 258.321 1.019 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1[nH]ccc1C1CC1 ZINC001038326860 784925065 /nfs/dbraw/zinc/92/50/65/784925065.db2.gz MRBHDXLEFBCRMN-CYBMUJFWSA-N 1 2 271.364 1.720 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1[nH]ccc1C1CC1 ZINC001038326860 784925074 /nfs/dbraw/zinc/92/50/74/784925074.db2.gz MRBHDXLEFBCRMN-CYBMUJFWSA-N 1 2 271.364 1.720 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000852468337 784966066 /nfs/dbraw/zinc/96/60/66/784966066.db2.gz MOOZWIHVSXHNPJ-SMDDNHRTSA-N 1 2 260.312 1.710 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000852468337 784966069 /nfs/dbraw/zinc/96/60/69/784966069.db2.gz MOOZWIHVSXHNPJ-SMDDNHRTSA-N 1 2 260.312 1.710 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2CC(C)C2)C1 ZINC001035336723 785068491 /nfs/dbraw/zinc/06/84/91/785068491.db2.gz FHRDHHGOJJGMJZ-WXRRBKDZSA-N 1 2 252.358 1.036 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C2CC(C)C2)C1 ZINC001035336723 785068504 /nfs/dbraw/zinc/06/85/04/785068504.db2.gz FHRDHHGOJJGMJZ-WXRRBKDZSA-N 1 2 252.358 1.036 20 30 CDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)C3CC3)C2)c(F)c1 ZINC001031509279 785090537 /nfs/dbraw/zinc/09/05/37/785090537.db2.gz WSAVTQRQTPYGOV-UHFFFAOYSA-N 1 2 287.338 1.655 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc(CC)cn2)C1 ZINC001030981499 785292938 /nfs/dbraw/zinc/29/29/38/785292938.db2.gz VFXZSCDDTOQBOQ-UHFFFAOYSA-N 1 2 271.364 1.010 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C)[nH]1 ZINC001032312072 785349312 /nfs/dbraw/zinc/34/93/12/785349312.db2.gz CJAQQZYWTRQQAA-RYUDHWBXSA-N 1 2 260.341 1.193 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C)[nH]1 ZINC001032312072 785349326 /nfs/dbraw/zinc/34/93/26/785349326.db2.gz CJAQQZYWTRQQAA-RYUDHWBXSA-N 1 2 260.341 1.193 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ncc(C)cc1C ZINC001038546871 785358974 /nfs/dbraw/zinc/35/89/74/785358974.db2.gz RUVBNFBXTZFOAW-ZDUSSCGKSA-N 1 2 257.337 1.136 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncc(C)cc1C ZINC001038546871 785358980 /nfs/dbraw/zinc/35/89/80/785358980.db2.gz RUVBNFBXTZFOAW-ZDUSSCGKSA-N 1 2 257.337 1.136 20 30 CDEDLO CN(C)c1ccc(C=[NH+]Nc2cnnn2C)cc1F ZINC000814980971 785401438 /nfs/dbraw/zinc/40/14/38/785401438.db2.gz RCFQBISHPPCPSK-UHFFFAOYSA-N 1 2 262.292 1.466 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)c(C)o2)C1 ZINC001035336923 785441295 /nfs/dbraw/zinc/44/12/95/785441295.db2.gz NERKHOCQIGTQRP-AWEZNQCLSA-N 1 2 292.379 1.903 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)c(C)o2)C1 ZINC001035336923 785441312 /nfs/dbraw/zinc/44/13/12/785441312.db2.gz NERKHOCQIGTQRP-AWEZNQCLSA-N 1 2 292.379 1.903 20 30 CDEDLO O=C(C#Cc1cccs1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000827636647 785448047 /nfs/dbraw/zinc/44/80/47/785448047.db2.gz WRZILRDTRHBLNF-CYBMUJFWSA-N 1 2 297.383 1.890 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(F)cccc1Cl ZINC001038944323 785478336 /nfs/dbraw/zinc/47/83/36/785478336.db2.gz AWFDHRSEURIADX-JTQLQIEISA-N 1 2 280.730 1.916 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(F)cccc1Cl ZINC001038944323 785478347 /nfs/dbraw/zinc/47/83/47/785478347.db2.gz AWFDHRSEURIADX-JTQLQIEISA-N 1 2 280.730 1.916 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(F)F)n(C)n1 ZINC001038517079 785642912 /nfs/dbraw/zinc/64/29/12/785642912.db2.gz VOQSTWJVAHSKAN-JTQLQIEISA-N 1 2 296.321 1.185 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(F)F)n(C)n1 ZINC001038517079 785642920 /nfs/dbraw/zinc/64/29/20/785642920.db2.gz VOQSTWJVAHSKAN-JTQLQIEISA-N 1 2 296.321 1.185 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C)c1C ZINC001017349707 785726266 /nfs/dbraw/zinc/72/62/66/785726266.db2.gz RKZMHBWTRMPTIW-OKILXGFUSA-N 1 2 286.379 1.041 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C)c1C ZINC001017349707 785726285 /nfs/dbraw/zinc/72/62/85/785726285.db2.gz RKZMHBWTRMPTIW-OKILXGFUSA-N 1 2 286.379 1.041 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC001030446213 785808789 /nfs/dbraw/zinc/80/87/89/785808789.db2.gz AJRNZDPLQOXSMB-UHFFFAOYSA-N 1 2 286.419 1.882 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2OCC[N@@H+](CC)[C@@H]2C1 ZINC001074314957 785819796 /nfs/dbraw/zinc/81/97/96/785819796.db2.gz NNXKWUCLFXDCBR-KGLIPLIRSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2OCC[N@H+](CC)[C@@H]2C1 ZINC001074314957 785819797 /nfs/dbraw/zinc/81/97/97/785819797.db2.gz NNXKWUCLFXDCBR-KGLIPLIRSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2c(C)nn(C)c2Cl)C1 ZINC001030615233 785821724 /nfs/dbraw/zinc/82/17/24/785821724.db2.gz BJFQOPSAXQDCSA-UHFFFAOYSA-N 1 2 296.802 1.301 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnn(CC)c2)C1 ZINC001046199134 785822845 /nfs/dbraw/zinc/82/28/45/785822845.db2.gz BNUSCRLLLFDTED-CQSZACIVSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnn(CC)c2)C1 ZINC001046199134 785822846 /nfs/dbraw/zinc/82/28/46/785822846.db2.gz BNUSCRLLLFDTED-CQSZACIVSA-N 1 2 296.802 1.850 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC[C@@H](C)O1)CCO2 ZINC001053440608 785823390 /nfs/dbraw/zinc/82/33/90/785823390.db2.gz ZENYMRYBMSPAIZ-ZIAGYGMSSA-N 1 2 294.395 1.043 20 30 CDEDLO COC(=O)[C@H]([NH2+]CCO[C@H](C)C#N)[C@H]1CCC[C@@H](OC)C1 ZINC000844447199 785829931 /nfs/dbraw/zinc/82/99/31/785829931.db2.gz QEJWKGJYTGTYCH-XJFOESAGSA-N 1 2 298.383 1.251 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCO[C@@H]2CC)C1 ZINC001042885973 785831620 /nfs/dbraw/zinc/83/16/20/785831620.db2.gz XMBSHPQEGTYEFU-ZIAGYGMSSA-N 1 2 266.385 1.520 20 30 CDEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)CC)C2)CC1 ZINC001051985402 785835319 /nfs/dbraw/zinc/83/53/19/785835319.db2.gz XUOPRQPBWWXBSC-HOTGVXAUSA-N 1 2 291.439 1.274 20 30 CDEDLO Oc1c(F)cc(F)cc1C=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000884442989 785863488 /nfs/dbraw/zinc/86/34/88/785863488.db2.gz WWSAWJHSWJHABH-RYUDHWBXSA-N 1 2 294.305 1.864 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2c(C)coc2C)C1 ZINC001035351371 785888941 /nfs/dbraw/zinc/88/89/41/785888941.db2.gz CAEAQQLMANNHGO-ZDUSSCGKSA-N 1 2 278.352 1.513 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2c(C)coc2C)C1 ZINC001035351371 785888942 /nfs/dbraw/zinc/88/89/42/785888942.db2.gz CAEAQQLMANNHGO-ZDUSSCGKSA-N 1 2 278.352 1.513 20 30 CDEDLO NC(=[NH+]OCC(=O)NCc1ccccc1)c1ccccc1 ZINC000005295599 785921593 /nfs/dbraw/zinc/92/15/93/785921593.db2.gz XAHYPGBCZVIOKZ-UHFFFAOYSA-N 1 2 283.331 1.640 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C)s1 ZINC001032308777 785955844 /nfs/dbraw/zinc/95/58/44/785955844.db2.gz WHRPFYFAYUOHAV-RYUDHWBXSA-N 1 2 277.393 1.926 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C)s1 ZINC001032308777 785955877 /nfs/dbraw/zinc/95/58/77/785955877.db2.gz WHRPFYFAYUOHAV-RYUDHWBXSA-N 1 2 277.393 1.926 20 30 CDEDLO CC[N@H+](C)[C@H](C(=O)O[C@@H](C#N)COC)c1ccccc1 ZINC000785337086 786009130 /nfs/dbraw/zinc/00/91/30/786009130.db2.gz LTXODWNJKAMPDH-KBPBESRZSA-N 1 2 276.336 1.761 20 30 CDEDLO CC[N@@H+](C)[C@H](C(=O)O[C@@H](C#N)COC)c1ccccc1 ZINC000785337086 786009145 /nfs/dbraw/zinc/00/91/45/786009145.db2.gz LTXODWNJKAMPDH-KBPBESRZSA-N 1 2 276.336 1.761 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(CC)o2)C1 ZINC001035417048 786026846 /nfs/dbraw/zinc/02/68/46/786026846.db2.gz RHPAMXWTLKEJEQ-AWEZNQCLSA-N 1 2 292.379 1.849 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(CC)o2)C1 ZINC001035417048 786026848 /nfs/dbraw/zinc/02/68/48/786026848.db2.gz RHPAMXWTLKEJEQ-AWEZNQCLSA-N 1 2 292.379 1.849 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(CC)n1 ZINC001038352979 786027725 /nfs/dbraw/zinc/02/77/25/786027725.db2.gz QBZHRBHFFWUCHU-ZDUSSCGKSA-N 1 2 257.337 1.081 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(CC)n1 ZINC001038352979 786027727 /nfs/dbraw/zinc/02/77/27/786027727.db2.gz QBZHRBHFFWUCHU-ZDUSSCGKSA-N 1 2 257.337 1.081 20 30 CDEDLO C#CC(C)(C)NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000881888086 786036945 /nfs/dbraw/zinc/03/69/45/786036945.db2.gz LKVIMSSIIVXSJQ-UHFFFAOYSA-N 1 2 292.404 1.365 20 30 CDEDLO C#CC(C)(C)NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000881888086 786036950 /nfs/dbraw/zinc/03/69/50/786036950.db2.gz LKVIMSSIIVXSJQ-UHFFFAOYSA-N 1 2 292.404 1.365 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2cccnc21 ZINC001038625123 786062328 /nfs/dbraw/zinc/06/23/28/786062328.db2.gz RBVUIGRAGXOLMT-LSDHHAIUSA-N 1 2 283.375 1.325 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2cccnc21 ZINC001038625123 786062334 /nfs/dbraw/zinc/06/23/34/786062334.db2.gz RBVUIGRAGXOLMT-LSDHHAIUSA-N 1 2 283.375 1.325 20 30 CDEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@@](C)(C(C)C)C1=O ZINC000182628209 786066116 /nfs/dbraw/zinc/06/61/16/786066116.db2.gz FDYGTYKDWYHESM-ZDUSSCGKSA-N 1 2 253.346 1.418 20 30 CDEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@@](C)(C(C)C)C1=O ZINC000182628209 786066109 /nfs/dbraw/zinc/06/61/09/786066109.db2.gz FDYGTYKDWYHESM-ZDUSSCGKSA-N 1 2 253.346 1.418 20 30 CDEDLO N#C[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000928216713 786242799 /nfs/dbraw/zinc/24/27/99/786242799.db2.gz JZFZXDQGPQSATC-NEPJUHHUSA-N 1 2 258.325 1.208 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(O)cc2)C1 ZINC000852319156 786249686 /nfs/dbraw/zinc/24/96/86/786249686.db2.gz HKHVZDIMFXKQAH-LBPRGKRZSA-N 1 2 273.336 1.956 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(O)cc2)C1 ZINC000852319156 786249699 /nfs/dbraw/zinc/24/96/99/786249699.db2.gz HKHVZDIMFXKQAH-LBPRGKRZSA-N 1 2 273.336 1.956 20 30 CDEDLO CCOc1ccc(N[NH+]=Cc2c(N)ncnc2OC)cc1 ZINC000814984579 786307132 /nfs/dbraw/zinc/30/71/32/786307132.db2.gz CDUQCYWMNMVBMF-UHFFFAOYSA-N 1 2 287.323 1.912 20 30 CDEDLO COCc1noc([C@@H](C)O[NH+]=C(N)c2ccc(F)cc2)n1 ZINC000784050589 786310546 /nfs/dbraw/zinc/31/05/46/786310546.db2.gz YUOLNKPFFFHPMH-MRVPVSSYSA-N 1 2 294.286 1.753 20 30 CDEDLO C#CCOc1ccccc1CNC(=O)Cc1c[nH+]cn1C ZINC000806862953 786331293 /nfs/dbraw/zinc/33/12/93/786331293.db2.gz UXGTZHAKRXQKGG-UHFFFAOYSA-N 1 2 283.331 1.291 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2oc(C3CC3)nc2C)C1 ZINC000923566353 786368303 /nfs/dbraw/zinc/36/83/03/786368303.db2.gz PEHVAXLCUKTWIF-CYBMUJFWSA-N 1 2 287.363 1.688 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2oc(C3CC3)nc2C)C1 ZINC000923566353 786368312 /nfs/dbraw/zinc/36/83/12/786368312.db2.gz PEHVAXLCUKTWIF-CYBMUJFWSA-N 1 2 287.363 1.688 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2sccc2OC)C1 ZINC001016049478 786379590 /nfs/dbraw/zinc/37/95/90/786379590.db2.gz KIHNNGXPSKMBLY-JTQLQIEISA-N 1 2 264.350 1.194 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2sccc2OC)C1 ZINC001016049478 786379598 /nfs/dbraw/zinc/37/95/98/786379598.db2.gz KIHNNGXPSKMBLY-JTQLQIEISA-N 1 2 264.350 1.194 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ncc(OC)cc1F ZINC001038321597 786386508 /nfs/dbraw/zinc/38/65/08/786386508.db2.gz JJXZCPIQKRXUHP-NSHDSACASA-N 1 2 291.326 1.057 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncc(OC)cc1F ZINC001038321597 786386512 /nfs/dbraw/zinc/38/65/12/786386512.db2.gz JJXZCPIQKRXUHP-NSHDSACASA-N 1 2 291.326 1.057 20 30 CDEDLO NC(Cc1ccccc1)=[NH+]OCCC1OCCO1 ZINC000120186470 786648169 /nfs/dbraw/zinc/64/81/69/786648169.db2.gz DRDADSMBAVZESA-UHFFFAOYSA-N 1 2 250.298 1.281 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001038539809 786736002 /nfs/dbraw/zinc/73/60/02/786736002.db2.gz DQYOYMGGIUWFCV-XGUBFFRZSA-N 1 2 260.381 1.636 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001038539809 786736016 /nfs/dbraw/zinc/73/60/16/786736016.db2.gz DQYOYMGGIUWFCV-XGUBFFRZSA-N 1 2 260.381 1.636 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCCCO1 ZINC001017468050 786780841 /nfs/dbraw/zinc/78/08/41/786780841.db2.gz WTVLZIKKRHYWQM-ZNMIVQPWSA-N 1 2 276.380 1.254 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCCCO1 ZINC001017468050 786780857 /nfs/dbraw/zinc/78/08/57/786780857.db2.gz WTVLZIKKRHYWQM-ZNMIVQPWSA-N 1 2 276.380 1.254 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CC[C@@H](CC)C2)c1=S ZINC000119439822 786781136 /nfs/dbraw/zinc/78/11/36/786781136.db2.gz GNRSPTZOVHNOIB-SNVBAGLBSA-N 1 2 253.375 1.684 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CC[C@@H](CC)C2)c1=S ZINC000119439822 786781157 /nfs/dbraw/zinc/78/11/57/786781157.db2.gz GNRSPTZOVHNOIB-SNVBAGLBSA-N 1 2 253.375 1.684 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000932162864 786838208 /nfs/dbraw/zinc/83/82/08/786838208.db2.gz XSVGSELIHDOKNK-GXTWGEPZSA-N 1 2 278.327 1.801 20 30 CDEDLO N#C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000932162864 786838209 /nfs/dbraw/zinc/83/82/09/786838209.db2.gz XSVGSELIHDOKNK-GXTWGEPZSA-N 1 2 278.327 1.801 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(=O)[nH]2)C1 ZINC001032975985 786865484 /nfs/dbraw/zinc/86/54/84/786865484.db2.gz PPHAZZLFGZVBTJ-LLVKDONJSA-N 1 2 295.770 1.686 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(=O)[nH]2)C1 ZINC001032975985 786865485 /nfs/dbraw/zinc/86/54/85/786865485.db2.gz PPHAZZLFGZVBTJ-LLVKDONJSA-N 1 2 295.770 1.686 20 30 CDEDLO N#C[C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000928223677 786874575 /nfs/dbraw/zinc/87/45/75/786874575.db2.gz PYZCLSJMEDRLNH-NWDGAFQWSA-N 1 2 258.325 1.208 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(-c2cccnc2)n1 ZINC001038460393 786940940 /nfs/dbraw/zinc/94/09/40/786940940.db2.gz VRSJBRKBMORFPR-CYBMUJFWSA-N 1 2 298.346 1.727 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(-c2cccnc2)n1 ZINC001038460393 786940952 /nfs/dbraw/zinc/94/09/52/786940952.db2.gz VRSJBRKBMORFPR-CYBMUJFWSA-N 1 2 298.346 1.727 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)COC2 ZINC001032679142 786978497 /nfs/dbraw/zinc/97/84/97/786978497.db2.gz FRXQHPTVYRYPOM-HOTGVXAUSA-N 1 2 282.343 1.249 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)COC2 ZINC001032679142 786978509 /nfs/dbraw/zinc/97/85/09/786978509.db2.gz FRXQHPTVYRYPOM-HOTGVXAUSA-N 1 2 282.343 1.249 20 30 CDEDLO C=CCOCCO[NH+]=C(N)c1ccc(OC)c(OC)c1 ZINC000842022231 787015166 /nfs/dbraw/zinc/01/51/66/787015166.db2.gz XVUIEDCHPYUUCI-UHFFFAOYSA-N 1 2 280.324 1.753 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccsc2C)C1 ZINC001031055097 787026429 /nfs/dbraw/zinc/02/64/29/787026429.db2.gz DENNMUHNANHJID-UHFFFAOYSA-N 1 2 264.394 1.976 20 30 CDEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccon3)C[C@H]21 ZINC001074184368 787064380 /nfs/dbraw/zinc/06/43/80/787064380.db2.gz LIODXLJORFKSGU-ZIAGYGMSSA-N 1 2 291.351 1.166 20 30 CDEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccon3)C[C@H]21 ZINC001074184368 787064397 /nfs/dbraw/zinc/06/43/97/787064397.db2.gz LIODXLJORFKSGU-ZIAGYGMSSA-N 1 2 291.351 1.166 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2nonc2c1 ZINC001038667972 787074607 /nfs/dbraw/zinc/07/46/07/787074607.db2.gz XOZNKEJCBRHYAL-LBPRGKRZSA-N 1 2 284.319 1.050 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2nonc2c1 ZINC001038667972 787074621 /nfs/dbraw/zinc/07/46/21/787074621.db2.gz XOZNKEJCBRHYAL-LBPRGKRZSA-N 1 2 284.319 1.050 20 30 CDEDLO O=C(C#Cc1ccccc1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836867419 787098778 /nfs/dbraw/zinc/09/87/78/787098778.db2.gz YSYPEOXAZLTWHB-IYBDPMFKSA-N 1 2 284.359 1.018 20 30 CDEDLO O=C(C#Cc1ccccc1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836867419 787098791 /nfs/dbraw/zinc/09/87/91/787098791.db2.gz YSYPEOXAZLTWHB-IYBDPMFKSA-N 1 2 284.359 1.018 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(F)cc1 ZINC001050781544 787165187 /nfs/dbraw/zinc/16/51/87/787165187.db2.gz SSTZBJSKHSBVMC-OAHLLOKOSA-N 1 2 292.354 1.832 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(F)cc1 ZINC001050781544 787165216 /nfs/dbraw/zinc/16/52/16/787165216.db2.gz SSTZBJSKHSBVMC-OAHLLOKOSA-N 1 2 292.354 1.832 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1n[nH]c2ccccc21 ZINC001028296556 787245055 /nfs/dbraw/zinc/24/50/55/787245055.db2.gz ZFMKYSLKYVNXBH-LBPRGKRZSA-N 1 2 284.363 1.943 20 30 CDEDLO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1n[nH]c2ccccc21 ZINC001028296556 787245117 /nfs/dbraw/zinc/24/51/17/787245117.db2.gz ZFMKYSLKYVNXBH-LBPRGKRZSA-N 1 2 284.363 1.943 20 30 CDEDLO N#Cc1ccc(CNC(=O)NCCCn2cc[nH+]c2)nc1 ZINC000780142110 787247586 /nfs/dbraw/zinc/24/75/86/787247586.db2.gz DERNKHKBMUHFBB-UHFFFAOYSA-N 1 2 284.323 1.039 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2[nH]c(C)cc2C)C1 ZINC001043103205 787320718 /nfs/dbraw/zinc/32/07/18/787320718.db2.gz PUDHBJUSRXKXLT-UHFFFAOYSA-N 1 2 259.353 1.411 20 30 CDEDLO C#CCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3[nH]nnc3c2)C1 ZINC001033649622 787330319 /nfs/dbraw/zinc/33/03/19/787330319.db2.gz DIUVFOWATDJPBF-CYBMUJFWSA-N 1 2 297.362 1.128 20 30 CDEDLO C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3[nH]nnc3c2)C1 ZINC001033649622 787330331 /nfs/dbraw/zinc/33/03/31/787330331.db2.gz DIUVFOWATDJPBF-CYBMUJFWSA-N 1 2 297.362 1.128 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[C@@H]1CCC[C@H](C)C1 ZINC000884134628 787540723 /nfs/dbraw/zinc/54/07/23/787540723.db2.gz NIVCYOJDKFMURZ-IHRRRGAJSA-N 1 2 296.411 1.766 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cncnc2)C1 ZINC001046264911 787566099 /nfs/dbraw/zinc/56/60/99/787566099.db2.gz WDEAQINOGVVWOM-ZDUSSCGKSA-N 1 2 280.759 1.423 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cncnc2)C1 ZINC001046264911 787566115 /nfs/dbraw/zinc/56/61/15/787566115.db2.gz WDEAQINOGVVWOM-ZDUSSCGKSA-N 1 2 280.759 1.423 20 30 CDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2CCOC2)C1 ZINC001031571293 787568779 /nfs/dbraw/zinc/56/87/79/787568779.db2.gz KESCHZBGEUZKOS-MRXNPFEDSA-N 1 2 299.374 1.143 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1C ZINC001032344053 787574802 /nfs/dbraw/zinc/57/48/02/787574802.db2.gz FQUYZQSLDBFVFN-STQMWFEESA-N 1 2 257.337 1.245 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1C ZINC001032344053 787574832 /nfs/dbraw/zinc/57/48/32/787574832.db2.gz FQUYZQSLDBFVFN-STQMWFEESA-N 1 2 257.337 1.245 20 30 CDEDLO CC(C)(C)C#CC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000837383609 787800153 /nfs/dbraw/zinc/80/01/53/787800153.db2.gz OLXKTXAOBOAPNL-UHFFFAOYSA-N 1 2 266.385 1.263 20 30 CDEDLO CC(C)(C)C#CC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000837383609 787800154 /nfs/dbraw/zinc/80/01/54/787800154.db2.gz OLXKTXAOBOAPNL-UHFFFAOYSA-N 1 2 266.385 1.263 20 30 CDEDLO C#CCOCCC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874892695 787861713 /nfs/dbraw/zinc/86/17/13/787861713.db2.gz KPWHCOPVIQQCBE-HNNXBMFYSA-N 1 2 290.338 1.339 20 30 CDEDLO C#CC[N@@H+](C)Cc1nc2cc(C(=O)OC)ccc2[nH]1 ZINC000851979197 787863191 /nfs/dbraw/zinc/86/31/91/787863191.db2.gz XTLOVXMOWXTPLM-UHFFFAOYSA-N 1 2 257.293 1.415 20 30 CDEDLO C#CC[N@H+](C)Cc1nc2cc(C(=O)OC)ccc2[nH]1 ZINC000851979197 787863193 /nfs/dbraw/zinc/86/31/93/787863193.db2.gz XTLOVXMOWXTPLM-UHFFFAOYSA-N 1 2 257.293 1.415 20 30 CDEDLO C=CC[N@H+](CN1CCC2(CCC2)C1=O)[C@@H](C)COC ZINC000872624366 787895907 /nfs/dbraw/zinc/89/59/07/787895907.db2.gz MPHQKTXWTHECIW-ZDUSSCGKSA-N 1 2 266.385 1.869 20 30 CDEDLO C=CC[N@@H+](CN1CCC2(CCC2)C1=O)[C@@H](C)COC ZINC000872624366 787895908 /nfs/dbraw/zinc/89/59/08/787895908.db2.gz MPHQKTXWTHECIW-ZDUSSCGKSA-N 1 2 266.385 1.869 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2nccn2CC)C1 ZINC001033049844 787974453 /nfs/dbraw/zinc/97/44/53/787974453.db2.gz VXIZKPQEYAVINL-LBPRGKRZSA-N 1 2 296.802 1.802 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2nccn2CC)C1 ZINC001033049844 787974468 /nfs/dbraw/zinc/97/44/68/787974468.db2.gz VXIZKPQEYAVINL-LBPRGKRZSA-N 1 2 296.802 1.802 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc2[nH]ccc21 ZINC001017704366 787977997 /nfs/dbraw/zinc/97/79/97/787977997.db2.gz VNCWWNLVZRNTIP-BETUJISGSA-N 1 2 294.358 1.485 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc2[nH]ccc21 ZINC001017704366 787978007 /nfs/dbraw/zinc/97/80/07/787978007.db2.gz VNCWWNLVZRNTIP-BETUJISGSA-N 1 2 294.358 1.485 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccnnc3)cc2C1 ZINC001054283856 788005994 /nfs/dbraw/zinc/00/59/94/788005994.db2.gz TZCWHDQPALQQDX-UHFFFAOYSA-N 1 2 292.342 1.355 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccnnc3)cc2C1 ZINC001054283856 788006001 /nfs/dbraw/zinc/00/60/01/788006001.db2.gz TZCWHDQPALQQDX-UHFFFAOYSA-N 1 2 292.342 1.355 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)n(C)c1C ZINC001039011972 788052791 /nfs/dbraw/zinc/05/27/91/788052791.db2.gz ISTGRUZADDOBES-CYBMUJFWSA-N 1 2 259.353 1.079 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)n(C)c1C ZINC001039011972 788052801 /nfs/dbraw/zinc/05/28/01/788052801.db2.gz ISTGRUZADDOBES-CYBMUJFWSA-N 1 2 259.353 1.079 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NCCOCCO ZINC000820605461 788071045 /nfs/dbraw/zinc/07/10/45/788071045.db2.gz SGQFYRUUDZDGIX-UHFFFAOYSA-N 1 2 264.325 1.295 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3[nH]cnc3C)cc2C1 ZINC001054293517 788081422 /nfs/dbraw/zinc/08/14/22/788081422.db2.gz OXCFDVBVWCCAIO-UHFFFAOYSA-N 1 2 294.358 1.597 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3[nH]cnc3C)cc2C1 ZINC001054293517 788081426 /nfs/dbraw/zinc/08/14/26/788081426.db2.gz OXCFDVBVWCCAIO-UHFFFAOYSA-N 1 2 294.358 1.597 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C)CC1 ZINC000884108700 788085172 /nfs/dbraw/zinc/08/51/72/788085172.db2.gz KDBPPGHDUZBABC-RYUDHWBXSA-N 1 2 268.357 1.082 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C23CCC(CC2)C3)C1 ZINC001035414411 788244641 /nfs/dbraw/zinc/24/46/41/788244641.db2.gz PQOCBNQBSYDXGL-CKDBGZEDSA-N 1 2 292.423 1.960 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C23CCC(CC2)C3)C1 ZINC001035414411 788244676 /nfs/dbraw/zinc/24/46/76/788244676.db2.gz PQOCBNQBSYDXGL-CKDBGZEDSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H](C)C2CCOCC2)C1 ZINC001044382973 788251365 /nfs/dbraw/zinc/25/13/65/788251365.db2.gz GYXCTXYYCOPUCL-GFCCVEGCSA-N 1 2 266.385 1.378 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCCO[C@H]2C(C)C)C1 ZINC001030333649 788261462 /nfs/dbraw/zinc/26/14/62/788261462.db2.gz VPICZCAYXOTJCB-GJZGRUSLSA-N 1 2 280.412 1.814 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC001038877708 788324249 /nfs/dbraw/zinc/32/42/49/788324249.db2.gz ITKGCTQSLUJZII-OAHLLOKOSA-N 1 2 294.358 1.514 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC001038877708 788324259 /nfs/dbraw/zinc/32/42/59/788324259.db2.gz ITKGCTQSLUJZII-OAHLLOKOSA-N 1 2 294.358 1.514 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC001035373643 788338654 /nfs/dbraw/zinc/33/86/54/788338654.db2.gz ULQKJWWCBKBEJR-KKUMJFAQSA-N 1 2 296.411 1.051 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC001035373643 788338664 /nfs/dbraw/zinc/33/86/64/788338664.db2.gz ULQKJWWCBKBEJR-KKUMJFAQSA-N 1 2 296.411 1.051 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[NH+](Cc2ccccc2)C1 ZINC001030977067 788342105 /nfs/dbraw/zinc/34/21/05/788342105.db2.gz BHVRSUUFVVZHRD-CVEARBPZSA-N 1 2 286.375 1.578 20 30 CDEDLO CC(N=Nc1nc2ccccn2n1)c1ccc(N)[nH+]c1 ZINC000814911650 788347169 /nfs/dbraw/zinc/34/71/69/788347169.db2.gz QHZIUBAGFBZEJK-UHFFFAOYSA-N 1 2 267.296 1.543 20 30 CDEDLO C=CCOCC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927094393 788391011 /nfs/dbraw/zinc/39/10/11/788391011.db2.gz TVMFKCIHBZXEAM-UHFFFAOYSA-N 1 2 275.352 1.687 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C)cc2C)CC1 ZINC000852743273 788391307 /nfs/dbraw/zinc/39/13/07/788391307.db2.gz UJKFFDXXBHSZRZ-MRXNPFEDSA-N 1 2 299.418 1.563 20 30 CDEDLO N#CC[C@@H](O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000809572824 788410678 /nfs/dbraw/zinc/41/06/78/788410678.db2.gz UKHWERATULQPRS-GFCCVEGCSA-N 1 2 263.316 1.222 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccn(CC)n1 ZINC001028181541 788466879 /nfs/dbraw/zinc/46/68/79/788466879.db2.gz VQEIUPHZMWPVPM-LBPRGKRZSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccn(CC)n1 ZINC001028181541 788466916 /nfs/dbraw/zinc/46/69/16/788466916.db2.gz VQEIUPHZMWPVPM-LBPRGKRZSA-N 1 2 296.802 1.850 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)CC1(C#N)CCCCC1 ZINC000854499024 788468613 /nfs/dbraw/zinc/46/86/13/788468613.db2.gz PVSQAMVZWDSISA-UHFFFAOYSA-N 1 2 260.341 1.900 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CC3)C[C@H]21 ZINC001074128804 788472894 /nfs/dbraw/zinc/47/28/94/788472894.db2.gz VWDBGTWQAJOMFJ-ZIAGYGMSSA-N 1 2 264.369 1.274 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3CC3)C[C@H]21 ZINC001074128804 788472921 /nfs/dbraw/zinc/47/29/21/788472921.db2.gz VWDBGTWQAJOMFJ-ZIAGYGMSSA-N 1 2 264.369 1.274 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2nccc(C)n2)C1 ZINC001033042929 788476427 /nfs/dbraw/zinc/47/64/27/788476427.db2.gz AFORTZOAUYBKAG-GFCCVEGCSA-N 1 2 294.786 1.684 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2nccc(C)n2)C1 ZINC001033042929 788476483 /nfs/dbraw/zinc/47/64/83/788476483.db2.gz AFORTZOAUYBKAG-GFCCVEGCSA-N 1 2 294.786 1.684 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccncc2Cl)C1 ZINC001031001829 788582794 /nfs/dbraw/zinc/58/27/94/788582794.db2.gz VHNOQFJYILHCMH-UHFFFAOYSA-N 1 2 263.728 1.172 20 30 CDEDLO C#CCOCC[NH+]1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000851823546 788601323 /nfs/dbraw/zinc/60/13/23/788601323.db2.gz LWUXJVXBWPDKRN-UHFFFAOYSA-N 1 2 286.375 1.403 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(F)nc1 ZINC001038110681 788620974 /nfs/dbraw/zinc/62/09/74/788620974.db2.gz 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/nfs/dbraw/zinc/87/19/68/788871968.db2.gz JLUMPPYATMWNHW-NSHDSACASA-N 1 2 270.720 1.016 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnon2)C1 ZINC001046719079 788871969 /nfs/dbraw/zinc/87/19/69/788871969.db2.gz JLUMPPYATMWNHW-NSHDSACASA-N 1 2 270.720 1.016 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001016313328 788879104 /nfs/dbraw/zinc/87/91/04/788879104.db2.gz HIVQZEXWAGXMOI-LBPRGKRZSA-N 1 2 267.760 1.500 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001016313328 788879105 /nfs/dbraw/zinc/87/91/05/788879105.db2.gz HIVQZEXWAGXMOI-LBPRGKRZSA-N 1 2 267.760 1.500 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C(C)C)CC1 ZINC000884140367 788890051 /nfs/dbraw/zinc/89/00/51/788890051.db2.gz RJMXQFHTBOAQNE-KGLIPLIRSA-N 1 2 296.411 1.718 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(OCC3CC3)nc2)C1 ZINC001031436126 788891088 /nfs/dbraw/zinc/89/10/88/788891088.db2.gz UBVILNDUWOKFFM-UHFFFAOYSA-N 1 2 299.374 1.308 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1nc(C2CC2)cs1 ZINC000884089488 788899840 /nfs/dbraw/zinc/89/98/40/788899840.db2.gz QMDWQZXWQARHFC-VIFPVBQESA-N 1 2 295.364 1.406 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cncnc2)[C@@H]1C ZINC000993268074 788910307 /nfs/dbraw/zinc/91/03/07/788910307.db2.gz RMXNDRHTDLQWSB-AAEUAGOBSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cncnc2)[C@@H]1C ZINC000993268074 788910331 /nfs/dbraw/zinc/91/03/31/788910331.db2.gz RMXNDRHTDLQWSB-AAEUAGOBSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCCOCC2)C1 ZINC001031641265 788940092 /nfs/dbraw/zinc/94/00/92/788940092.db2.gz QFAYILCGZZRKOW-CYBMUJFWSA-N 1 2 286.803 1.604 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cncs1 ZINC001017640923 788997012 /nfs/dbraw/zinc/99/70/12/788997012.db2.gz JXOGVCZLODWUCI-BETUJISGSA-N 1 2 289.404 1.384 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cncs1 ZINC001017640923 788997043 /nfs/dbraw/zinc/99/70/43/788997043.db2.gz JXOGVCZLODWUCI-BETUJISGSA-N 1 2 289.404 1.384 20 30 CDEDLO C#CC[C@@H](CCOC)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000863780141 789028792 /nfs/dbraw/zinc/02/87/92/789028792.db2.gz YBAHTTWHSVBNJQ-STQMWFEESA-N 1 2 263.341 1.379 20 30 CDEDLO C#CCN(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000922079614 789061225 /nfs/dbraw/zinc/06/12/25/789061225.db2.gz QODRXSKDVLVPOZ-GFCCVEGCSA-N 1 2 260.341 1.251 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cn[nH]c2)cc1 ZINC001038075726 789087703 /nfs/dbraw/zinc/08/77/03/789087703.db2.gz BCNHIEJYXXHGAD-HNNXBMFYSA-N 1 2 295.346 1.286 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cn[nH]c2)cc1 ZINC001038075726 789087713 /nfs/dbraw/zinc/08/77/13/789087713.db2.gz BCNHIEJYXXHGAD-HNNXBMFYSA-N 1 2 295.346 1.286 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1N[C@H](C)CC(N)=O ZINC000853371510 789225227 /nfs/dbraw/zinc/22/52/27/789225227.db2.gz BEBZWXHLFIFOMH-LLVKDONJSA-N 1 2 261.325 1.550 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1coc(C)c1)O2 ZINC001053593430 789285045 /nfs/dbraw/zinc/28/50/45/789285045.db2.gz KLIRXOQJHAMRJV-AWEZNQCLSA-N 1 2 290.363 1.737 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1OCC[C@H]1C(C)C ZINC001038267038 789330846 /nfs/dbraw/zinc/33/08/46/789330846.db2.gz RLHMNYYPEHMKJG-KKUMJFAQSA-N 1 2 278.396 1.261 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1OCC[C@H]1C(C)C ZINC001038267038 789330851 /nfs/dbraw/zinc/33/08/51/789330851.db2.gz RLHMNYYPEHMKJG-KKUMJFAQSA-N 1 2 278.396 1.261 20 30 CDEDLO C=C(C)C[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C(=O)OCC ZINC000881757323 789376182 /nfs/dbraw/zinc/37/61/82/789376182.db2.gz UNIXFMLFSNLHCR-OLZOCXBDSA-N 1 2 293.367 1.848 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1cccc1 ZINC001032739424 789484564 /nfs/dbraw/zinc/48/45/64/789484564.db2.gz CJLVUVIXUGBUAB-ILXRZTDVSA-N 1 2 271.364 1.358 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1cccc1 ZINC001032739424 789484577 /nfs/dbraw/zinc/48/45/77/789484577.db2.gz CJLVUVIXUGBUAB-ILXRZTDVSA-N 1 2 271.364 1.358 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2CCC(OC)CC2)C1 ZINC001035497520 789513646 /nfs/dbraw/zinc/51/36/46/789513646.db2.gz SYODSGJYAKGBFU-YMAMQOFZSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C2CCC(OC)CC2)C1 ZINC001035497520 789513671 /nfs/dbraw/zinc/51/36/71/789513671.db2.gz SYODSGJYAKGBFU-YMAMQOFZSA-N 1 2 296.411 1.195 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)[C@@H](C)C2)C1 ZINC000923565844 789524985 /nfs/dbraw/zinc/52/49/85/789524985.db2.gz GPUAQZJCHUIQMX-IHRRRGAJSA-N 1 2 276.380 1.206 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)[C@@H](C)C2)C1 ZINC000923565844 789524997 /nfs/dbraw/zinc/52/49/97/789524997.db2.gz GPUAQZJCHUIQMX-IHRRRGAJSA-N 1 2 276.380 1.206 20 30 CDEDLO Cc1cc(C[N@H+]2CCCN(C(=O)[C@@H](C)C#N)CC2)on1 ZINC000980848188 789533764 /nfs/dbraw/zinc/53/37/64/789533764.db2.gz RJRINQZQFQGHJT-NSHDSACASA-N 1 2 276.340 1.177 20 30 CDEDLO Cc1cc(C[N@@H+]2CCCN(C(=O)[C@@H](C)C#N)CC2)on1 ZINC000980848188 789533773 /nfs/dbraw/zinc/53/37/73/789533773.db2.gz RJRINQZQFQGHJT-NSHDSACASA-N 1 2 276.340 1.177 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cn1 ZINC001032367221 789540285 /nfs/dbraw/zinc/54/02/85/789540285.db2.gz NUJMMDQUILYABU-STQMWFEESA-N 1 2 273.311 1.143 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cn1 ZINC001032367221 789540293 /nfs/dbraw/zinc/54/02/93/789540293.db2.gz NUJMMDQUILYABU-STQMWFEESA-N 1 2 273.311 1.143 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1CC1 ZINC001054028341 789546216 /nfs/dbraw/zinc/54/62/16/789546216.db2.gz NJACUTHLUPWHIW-MRXNPFEDSA-N 1 2 268.360 1.573 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1CC1 ZINC001054028341 789546228 /nfs/dbraw/zinc/54/62/28/789546228.db2.gz NJACUTHLUPWHIW-MRXNPFEDSA-N 1 2 268.360 1.573 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC001015318431 789631884 /nfs/dbraw/zinc/63/18/84/789631884.db2.gz VEZSSYAYDQNUTL-SNVBAGLBSA-N 1 2 271.723 1.710 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC001015318431 789631923 /nfs/dbraw/zinc/63/19/23/789631923.db2.gz VEZSSYAYDQNUTL-SNVBAGLBSA-N 1 2 271.723 1.710 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@H]1C)O2 ZINC001053642936 789643206 /nfs/dbraw/zinc/64/32/06/789643206.db2.gz PLNWQRBDBWTQIO-HZSPNIEDSA-N 1 2 278.396 1.568 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccn(C)c2)C1 ZINC001035335195 789726440 /nfs/dbraw/zinc/72/64/40/789726440.db2.gz ZPYZBWUJIMNMBW-CQSZACIVSA-N 1 2 277.368 1.032 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccn(C)c2)C1 ZINC001035335195 789726448 /nfs/dbraw/zinc/72/64/48/789726448.db2.gz ZPYZBWUJIMNMBW-CQSZACIVSA-N 1 2 277.368 1.032 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C(C)=O)CC1 ZINC000887248192 789729658 /nfs/dbraw/zinc/72/96/58/789729658.db2.gz AXGWAYCVPZICQO-KKUMJFAQSA-N 1 2 276.380 1.348 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C(C)=O)CC1 ZINC000887248192 789729660 /nfs/dbraw/zinc/72/96/60/789729660.db2.gz AXGWAYCVPZICQO-KKUMJFAQSA-N 1 2 276.380 1.348 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001030890736 789736352 /nfs/dbraw/zinc/73/63/52/789736352.db2.gz XVKLHZAEEKWAEG-UHFFFAOYSA-N 1 2 270.376 1.670 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1OCC ZINC001017384016 789761858 /nfs/dbraw/zinc/76/18/58/789761858.db2.gz UKXLYICVVHRLGI-LJISPDSOSA-N 1 2 276.380 1.110 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1OCC ZINC001017384016 789761864 /nfs/dbraw/zinc/76/18/64/789761864.db2.gz UKXLYICVVHRLGI-LJISPDSOSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NCCc1nnc[nH]1 ZINC000853445824 789798520 /nfs/dbraw/zinc/79/85/20/789798520.db2.gz WUZYSXAHSVIGKN-UHFFFAOYSA-N 1 2 271.324 1.647 20 30 CDEDLO C#Cc1cnc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)nc1 ZINC000827760957 789815514 /nfs/dbraw/zinc/81/55/14/789815514.db2.gz NUZAGWRYXROAPP-TZMCWYRMSA-N 1 2 267.336 1.742 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001007376393 789821369 /nfs/dbraw/zinc/82/13/69/789821369.db2.gz YOFLLFNDBULLKF-SCRDCRAPSA-N 1 2 284.787 1.356 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001007376393 789821372 /nfs/dbraw/zinc/82/13/72/789821372.db2.gz YOFLLFNDBULLKF-SCRDCRAPSA-N 1 2 284.787 1.356 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000922958771 789848212 /nfs/dbraw/zinc/84/82/12/789848212.db2.gz ORLORJDTCCSZBV-BFHYXJOUSA-N 1 2 294.399 1.089 20 30 CDEDLO C=CCc1cc(C)c[nH+]c1N[C@@H]1CCC(=O)NC1=O ZINC001167561157 896797740 /nfs/dbraw/zinc/79/77/40/896797740.db2.gz VIROWSDBTZTREN-LLVKDONJSA-N 1 2 259.309 1.336 20 30 CDEDLO N#Cc1ccnc(NCc2cc[nH+]c(N)c2)c1[N+](=O)[O-] ZINC001167616588 897053892 /nfs/dbraw/zinc/05/38/92/897053892.db2.gz BVMXERKNECUDRE-UHFFFAOYSA-N 1 2 270.252 1.451 20 30 CDEDLO C[C@@H](CNc1ncccc1C#N)N(C)C(=O)Cn1cc[nH+]c1 ZINC001104599105 898780076 /nfs/dbraw/zinc/78/00/76/898780076.db2.gz VKUONNQRXXMRJC-LBPRGKRZSA-N 1 2 298.350 1.109 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCCF)C[C@H]21 ZINC001177066865 914473569 /nfs/dbraw/zinc/47/35/69/914473569.db2.gz HBXPFQIZDDJLFE-KGLIPLIRSA-N 1 2 282.359 1.061 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCCF)C[C@H]21 ZINC001177066865 914473572 /nfs/dbraw/zinc/47/35/72/914473572.db2.gz HBXPFQIZDDJLFE-KGLIPLIRSA-N 1 2 282.359 1.061 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1Cl ZINC001038940008 901653817 /nfs/dbraw/zinc/65/38/17/901653817.db2.gz KNIQXCUMDAXAEV-NSHDSACASA-N 1 2 262.740 1.777 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1Cl ZINC001038940008 901653826 /nfs/dbraw/zinc/65/38/26/901653826.db2.gz KNIQXCUMDAXAEV-NSHDSACASA-N 1 2 262.740 1.777 20 30 CDEDLO CCC#CC(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001268951114 903263021 /nfs/dbraw/zinc/26/30/21/903263021.db2.gz CVHUSFHECMMMAS-UHFFFAOYSA-N 1 2 257.337 1.072 20 30 CDEDLO N#Cc1cc(CC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccn1 ZINC001177668169 914843197 /nfs/dbraw/zinc/84/31/97/914843197.db2.gz KPQFBPOXAUMHGM-CYBMUJFWSA-N 1 2 295.346 1.625 20 30 CDEDLO Cc1conc1C[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001226639798 905395381 /nfs/dbraw/zinc/39/53/81/905395381.db2.gz HBMYJZRKAGXOLR-SNVBAGLBSA-N 1 2 276.340 1.223 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001128413621 921297871 /nfs/dbraw/zinc/29/78/71/921297871.db2.gz IQUVQBQWTMEUGK-SNVBAGLBSA-N 1 2 266.345 1.501 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1ncc(CC)o1 ZINC001128404910 921296585 /nfs/dbraw/zinc/29/65/85/921296585.db2.gz JEIOUFRZPJWGSH-UHFFFAOYSA-N 1 2 265.357 1.799 20 30 CDEDLO C=CCOCC(=O)N1CC[C@H]([N@H+](C)Cc2nccs2)C1 ZINC001189370965 921443474 /nfs/dbraw/zinc/44/34/74/921443474.db2.gz MZISGSMRGUDGAO-LBPRGKRZSA-N 1 2 295.408 1.378 20 30 CDEDLO C=CCOCC(=O)N1CC[C@H]([N@@H+](C)Cc2nccs2)C1 ZINC001189370965 921443480 /nfs/dbraw/zinc/44/34/80/921443480.db2.gz MZISGSMRGUDGAO-LBPRGKRZSA-N 1 2 295.408 1.378 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C3CC3)CC2)C1 ZINC001093495496 909830446 /nfs/dbraw/zinc/83/04/46/909830446.db2.gz BKUAGYYCYZIPFQ-UHFFFAOYSA-N 1 2 264.369 1.274 20 30 CDEDLO Cc1nc(NC2CC(N(C)C(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001126924579 909831740 /nfs/dbraw/zinc/83/17/40/909831740.db2.gz DXPJVTNDPDJKQK-UHFFFAOYSA-N 1 2 286.379 1.846 20 30 CDEDLO CC(=CC(=O)C(F)(F)F)NC1C[C@@H]2COC[C@H](C1)[N@@H+]2C ZINC001172128379 911219929 /nfs/dbraw/zinc/21/99/29/911219929.db2.gz CSGZMCPBLFHRCN-CVGZWIFCSA-N 1 2 292.301 1.473 20 30 CDEDLO CC(=CC(=O)C(F)(F)F)NC1C[C@@H]2COC[C@H](C1)[N@H+]2C ZINC001172128379 911219938 /nfs/dbraw/zinc/21/99/38/911219938.db2.gz CSGZMCPBLFHRCN-CVGZWIFCSA-N 1 2 292.301 1.473 20 30 CDEDLO N#CCC[N@H+](Cc1cccnc1)[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172161022 911398499 /nfs/dbraw/zinc/39/84/99/911398499.db2.gz FYDSQOYPSORWKW-HOTGVXAUSA-N 1 2 298.390 1.951 20 30 CDEDLO N#CCC[N@@H+](Cc1cccnc1)[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172161022 911398520 /nfs/dbraw/zinc/39/85/20/911398520.db2.gz FYDSQOYPSORWKW-HOTGVXAUSA-N 1 2 298.390 1.951 20 30 CDEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001172319242 911558421 /nfs/dbraw/zinc/55/84/21/911558421.db2.gz LUFBPBRDFGQYSJ-BPNCWPANSA-N 1 2 275.327 1.387 20 30 CDEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001172319242 911558440 /nfs/dbraw/zinc/55/84/40/911558440.db2.gz LUFBPBRDFGQYSJ-BPNCWPANSA-N 1 2 275.327 1.387 20 30 CDEDLO COC(=O)[C@H](CS)[NH2+][C@H](C)CCOCC(C)C ZINC001172461890 911717513 /nfs/dbraw/zinc/71/75/13/911717513.db2.gz KGPBTYSNAJVIAN-MNOVXSKESA-N 1 2 263.403 1.499 20 30 CDEDLO COC(=O)[C@@H](Cc1cccnc1)[NH2+][C@H](C)CCCC#N ZINC001172491718 911727259 /nfs/dbraw/zinc/72/72/59/911727259.db2.gz OVYXEIHMHASURF-TZMCWYRMSA-N 1 2 275.352 1.838 20 30 CDEDLO COC(=O)N1CCC([NH2+][C@@](C)(C#N)C(C)C)CC1 ZINC001172732779 911872008 /nfs/dbraw/zinc/87/20/08/911872008.db2.gz XGJHHXHHNAYZHG-ZDUSSCGKSA-N 1 2 253.346 1.745 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172712984 911913141 /nfs/dbraw/zinc/91/31/41/911913141.db2.gz CIGYMHVVKRQOJB-KBPBESRZSA-N 1 2 261.756 1.605 20 30 CDEDLO COC(=O)[C@H](CS)[NH2+][C@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172767829 911940517 /nfs/dbraw/zinc/94/05/17/911940517.db2.gz LOYDNCDLWPFAAA-DCAQKATOSA-N 1 2 289.397 1.169 20 30 CDEDLO C=CCOc1ccccc1C(=O)NC1C[NH+](CCOC)C1 ZINC001030542224 912013251 /nfs/dbraw/zinc/01/32/51/912013251.db2.gz UJXTZUGETGRUFB-UHFFFAOYSA-N 1 2 290.363 1.312 20 30 CDEDLO N#Cc1c(NC(=O)Cc2c[nH]c[nH+]2)n[nH]c1C1CC1 ZINC001648658962 1169146790 /nfs/dbraw/zinc/14/67/90/1169146790.db2.gz RDULYZTXTWXQKW-UHFFFAOYSA-N 1 2 256.269 1.063 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)Cc2ccncc2)CC1 ZINC001178250851 915286455 /nfs/dbraw/zinc/28/64/55/915286455.db2.gz ZUGMULWYYLVYGS-UHFFFAOYSA-N 1 2 287.407 1.981 20 30 CDEDLO CC#CC(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001179751848 915969630 /nfs/dbraw/zinc/96/96/30/915969630.db2.gz MKGGBODZIQWOPF-LLVKDONJSA-N 1 2 256.296 1.342 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001179894396 916029439 /nfs/dbraw/zinc/02/94/39/916029439.db2.gz GYHRKEQFPNSUNW-LBPRGKRZSA-N 1 2 297.362 1.367 20 30 CDEDLO C=CCOCCCC(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001125261576 936360892 /nfs/dbraw/zinc/36/08/92/936360892.db2.gz XKHDTNQYNWCGAX-NSHDSACASA-N 1 2 296.371 1.128 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1cn(C)nc1C ZINC001485313824 916796709 /nfs/dbraw/zinc/79/67/09/916796709.db2.gz PNPIRMMALAMTIQ-NSHDSACASA-N 1 2 298.818 1.460 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1cn(C)nc1C ZINC001485313824 916796721 /nfs/dbraw/zinc/79/67/21/916796721.db2.gz PNPIRMMALAMTIQ-NSHDSACASA-N 1 2 298.818 1.460 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(OC)nc1 ZINC001485326007 916845768 /nfs/dbraw/zinc/84/57/68/916845768.db2.gz CCWVIRABBYWWRU-LLVKDONJSA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(OC)nc1 ZINC001485326007 916845781 /nfs/dbraw/zinc/84/57/81/916845781.db2.gz CCWVIRABBYWWRU-LLVKDONJSA-N 1 2 297.786 1.893 20 30 CDEDLO C[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)Nc1ncccc1C#N ZINC001097792700 936379505 /nfs/dbraw/zinc/37/95/05/936379505.db2.gz RXMFLRFCFPKYPN-NSHDSACASA-N 1 2 298.350 1.226 20 30 CDEDLO N=C(c1ccccc1N)N(O)C(=O)Cc1cc[nH+]c(N)c1 ZINC001181264343 916952056 /nfs/dbraw/zinc/95/20/56/916952056.db2.gz YWTLEFZZFRNKLU-UHFFFAOYSA-N 1 2 285.307 1.032 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](CO)c2ccccc2)CC1 ZINC001181924196 917476035 /nfs/dbraw/zinc/47/60/35/917476035.db2.gz MWYXEHDNZINABR-HNNXBMFYSA-N 1 2 274.364 1.093 20 30 CDEDLO C#CCCCCC(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001182112735 917663885 /nfs/dbraw/zinc/66/38/85/917663885.db2.gz CCQGHGSBWGCLCD-GFCCVEGCSA-N 1 2 292.408 1.422 20 30 CDEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H](F)CC)nn2)C1 ZINC001107194318 918252981 /nfs/dbraw/zinc/25/29/81/918252981.db2.gz QOVCDNMCHXXURG-ZDUSSCGKSA-N 1 2 295.362 1.075 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)CSC(C)=O)CC1 ZINC001183130252 918295297 /nfs/dbraw/zinc/29/52/97/918295297.db2.gz KRJRSYCOPGGRPN-LLVKDONJSA-N 1 2 270.398 1.232 20 30 CDEDLO C=C(Cl)C[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127773693 918379839 /nfs/dbraw/zinc/37/98/39/918379839.db2.gz SJTVEFJGENSWCS-ZCFIWIBFSA-N 1 2 262.634 1.345 20 30 CDEDLO C=C(Cl)C[NH2+]CCNC(=O)[C@@H](F)C(F)(F)F ZINC001127773693 918379855 /nfs/dbraw/zinc/37/98/55/918379855.db2.gz SJTVEFJGENSWCS-ZCFIWIBFSA-N 1 2 262.634 1.345 20 30 CDEDLO Cc1nc(N[C@H](C)CNC(=O)Cc2[nH]cc[nH+]2)ccc1C#N ZINC001098006730 936506593 /nfs/dbraw/zinc/50/65/93/936506593.db2.gz LRHKHDOPNYCBFP-SNVBAGLBSA-N 1 2 298.350 1.144 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001107731301 918709533 /nfs/dbraw/zinc/70/95/33/918709533.db2.gz NQTQBGUDBBYZFE-YGRLFVJLSA-N 1 2 278.356 1.029 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C)nc2)C1 ZINC001107743138 918716713 /nfs/dbraw/zinc/71/67/13/918716713.db2.gz JRYUYWSPKDBOPW-INIZCTEOSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C)nc2)C1 ZINC001107743138 918716725 /nfs/dbraw/zinc/71/67/25/918716725.db2.gz JRYUYWSPKDBOPW-INIZCTEOSA-N 1 2 289.379 1.397 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)C(C)C)C1 ZINC001107806405 918802649 /nfs/dbraw/zinc/80/26/49/918802649.db2.gz DMQHTSCRRBELCO-NVXWUHKLSA-N 1 2 294.439 1.899 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)C(C)C)C1 ZINC001107806405 918802662 /nfs/dbraw/zinc/80/26/62/918802662.db2.gz DMQHTSCRRBELCO-NVXWUHKLSA-N 1 2 294.439 1.899 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cncc(C)c2)C1 ZINC001107837663 918853830 /nfs/dbraw/zinc/85/38/30/918853830.db2.gz MFTNGAFNLWEVHA-MRXNPFEDSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cncc(C)c2)C1 ZINC001107837663 918853850 /nfs/dbraw/zinc/85/38/50/918853850.db2.gz MFTNGAFNLWEVHA-MRXNPFEDSA-N 1 2 289.379 1.397 20 30 CDEDLO CNc1ncccc1C[NH+]1CCN(CCC#N)CC1 ZINC001138692409 936557691 /nfs/dbraw/zinc/55/76/91/936557691.db2.gz IGVCCPNJTPKWLN-UHFFFAOYSA-N 1 2 259.357 1.155 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC(C)C)n1 ZINC001032428809 919126406 /nfs/dbraw/zinc/12/64/06/919126406.db2.gz NQOVMZDUPRFRFV-KBPBESRZSA-N 1 2 286.379 1.071 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC(C)C)n1 ZINC001032428809 919126418 /nfs/dbraw/zinc/12/64/18/919126418.db2.gz NQOVMZDUPRFRFV-KBPBESRZSA-N 1 2 286.379 1.071 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2ncccc2F)C1=O ZINC001272795372 919306646 /nfs/dbraw/zinc/30/66/46/919306646.db2.gz MTWWBKRCGXAYPD-MRXNPFEDSA-N 1 2 287.338 1.421 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2ncccc2F)C1=O ZINC001272795372 919306656 /nfs/dbraw/zinc/30/66/56/919306656.db2.gz MTWWBKRCGXAYPD-MRXNPFEDSA-N 1 2 287.338 1.421 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001032589981 919457037 /nfs/dbraw/zinc/45/70/37/919457037.db2.gz LMBOWIPBCUJXJK-OFQRWUPVSA-N 1 2 284.334 1.384 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001032589981 919457046 /nfs/dbraw/zinc/45/70/46/919457046.db2.gz LMBOWIPBCUJXJK-OFQRWUPVSA-N 1 2 284.334 1.384 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1cccs1 ZINC001032622463 919518875 /nfs/dbraw/zinc/51/88/75/919518875.db2.gz ODSAWZPXDHIPIZ-AGIUHOORSA-N 1 2 274.389 1.770 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1cccs1 ZINC001032622463 919518891 /nfs/dbraw/zinc/51/88/91/919518891.db2.gz ODSAWZPXDHIPIZ-AGIUHOORSA-N 1 2 274.389 1.770 20 30 CDEDLO C=CCN1C(=O)COCC12C[NH+](Cc1ccsc1)C2 ZINC001272935914 920485115 /nfs/dbraw/zinc/48/51/15/920485115.db2.gz FVBKPSUSVFFYIH-UHFFFAOYSA-N 1 2 278.377 1.347 20 30 CDEDLO C#CCCC[N@H+]1C[C@]2(F)CN(CC(=C)C)C(=O)[C@]2(F)C1 ZINC001273541572 920560312 /nfs/dbraw/zinc/56/03/12/920560312.db2.gz FKTCQRRCTKQZFH-LSDHHAIUSA-N 1 2 282.334 1.550 20 30 CDEDLO C#CCCC[N@@H+]1C[C@]2(F)CN(CC(=C)C)C(=O)[C@]2(F)C1 ZINC001273541572 920560323 /nfs/dbraw/zinc/56/03/23/920560323.db2.gz FKTCQRRCTKQZFH-LSDHHAIUSA-N 1 2 282.334 1.550 20 30 CDEDLO N#Cc1ccc2[nH]cc(C[NH+]3CC4(C3)CS(=O)C4)c2c1 ZINC001140110727 936679418 /nfs/dbraw/zinc/67/94/18/936679418.db2.gz RDTFLELVIYZVEQ-UHFFFAOYSA-N 1 2 285.372 1.604 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(CCF)CC2)C1 ZINC001108093889 922028373 /nfs/dbraw/zinc/02/83/73/922028373.db2.gz ILZLRRJUOBOSMA-OAHLLOKOSA-N 1 2 296.386 1.357 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2(CCF)CC2)C1 ZINC001108093889 922028385 /nfs/dbraw/zinc/02/83/85/922028385.db2.gz ILZLRRJUOBOSMA-OAHLLOKOSA-N 1 2 296.386 1.357 20 30 CDEDLO CC(=O)NC1CC[NH+](Cc2cc(F)c(C#N)c(F)c2)CC1 ZINC001140751304 936750035 /nfs/dbraw/zinc/75/00/35/936750035.db2.gz QTXUNLLEJACPCJ-UHFFFAOYSA-N 1 2 293.317 1.937 20 30 CDEDLO N#Cc1c(F)cc(C[N@H+]2CCC[C@H](O)C2)cc1F ZINC001140751176 936750294 /nfs/dbraw/zinc/75/02/94/936750294.db2.gz MEYBUGMJFPQDMG-JTQLQIEISA-N 1 2 252.264 1.793 20 30 CDEDLO N#Cc1c(F)cc(C[N@@H+]2CCC[C@H](O)C2)cc1F ZINC001140751176 936750296 /nfs/dbraw/zinc/75/02/96/936750296.db2.gz MEYBUGMJFPQDMG-JTQLQIEISA-N 1 2 252.264 1.793 20 30 CDEDLO C#Cc1ccccc1C(=O)NCCc1cn(C)c[nH+]1 ZINC001191116737 922405471 /nfs/dbraw/zinc/40/54/71/922405471.db2.gz SJMDSTHBRAWIMY-UHFFFAOYSA-N 1 2 253.305 1.374 20 30 CDEDLO Cc1ccc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)c(N)n1 ZINC001143199481 922520977 /nfs/dbraw/zinc/52/09/77/922520977.db2.gz DWOLMTTWDRXTKR-LBPRGKRZSA-N 1 2 275.377 1.746 20 30 CDEDLO Cc1ccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)c(N)n1 ZINC001143199481 922520985 /nfs/dbraw/zinc/52/09/85/922520985.db2.gz DWOLMTTWDRXTKR-LBPRGKRZSA-N 1 2 275.377 1.746 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@@H]1C ZINC001090212483 922624977 /nfs/dbraw/zinc/62/49/77/922624977.db2.gz INDLAMMTSQSMHK-JSGCOSHPSA-N 1 2 286.379 1.990 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C)n2C)C1 ZINC001035284609 922956515 /nfs/dbraw/zinc/95/65/15/922956515.db2.gz KHMFRSKEGBZIHR-AWEZNQCLSA-N 1 2 291.395 1.340 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C)n2C)C1 ZINC001035284609 922956528 /nfs/dbraw/zinc/95/65/28/922956528.db2.gz KHMFRSKEGBZIHR-AWEZNQCLSA-N 1 2 291.395 1.340 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C#N)cs2)C1 ZINC000923567155 923938110 /nfs/dbraw/zinc/93/81/10/923938110.db2.gz ALKUHDPVWFGZMH-GFCCVEGCSA-N 1 2 273.361 1.447 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C#N)cs2)C1 ZINC000923567155 923938114 /nfs/dbraw/zinc/93/81/14/923938114.db2.gz ALKUHDPVWFGZMH-GFCCVEGCSA-N 1 2 273.361 1.447 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2csnn2)C1 ZINC001080211186 924502282 /nfs/dbraw/zinc/50/22/82/924502282.db2.gz KQMDTCOULNHCPQ-VXNVDRBHSA-N 1 2 286.788 1.341 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2csnn2)C1 ZINC001080211186 924502289 /nfs/dbraw/zinc/50/22/89/924502289.db2.gz KQMDTCOULNHCPQ-VXNVDRBHSA-N 1 2 286.788 1.341 20 30 CDEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(C)=O ZINC001081235778 924716695 /nfs/dbraw/zinc/71/66/95/924716695.db2.gz DRNIEHUQMJQENV-HUUCEWRRSA-N 1 2 291.326 1.033 20 30 CDEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(C)=O ZINC001081235778 924716702 /nfs/dbraw/zinc/71/67/02/924716702.db2.gz DRNIEHUQMJQENV-HUUCEWRRSA-N 1 2 291.326 1.033 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C)CCCCCC2)[C@H](OC)C1 ZINC001081805861 924798348 /nfs/dbraw/zinc/79/83/48/924798348.db2.gz RVHOBHACSOTGAE-HUUCEWRRSA-N 1 2 292.423 1.796 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C)CCCCCC2)[C@H](OC)C1 ZINC001081805861 924798353 /nfs/dbraw/zinc/79/83/53/924798353.db2.gz RVHOBHACSOTGAE-HUUCEWRRSA-N 1 2 292.423 1.796 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C3CC3)cc2)[C@H](OC)C1 ZINC001082380282 924907542 /nfs/dbraw/zinc/90/75/42/924907542.db2.gz JUTANBUXPFHCPO-IAGOWNOFSA-N 1 2 298.386 1.626 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C3CC3)cc2)[C@H](OC)C1 ZINC001082380282 924907549 /nfs/dbraw/zinc/90/75/49/924907549.db2.gz JUTANBUXPFHCPO-IAGOWNOFSA-N 1 2 298.386 1.626 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001196600876 924943749 /nfs/dbraw/zinc/94/37/49/924943749.db2.gz WJENBUDHLBJLBO-NUEKZKHPSA-N 1 2 292.423 1.387 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001196600876 924943753 /nfs/dbraw/zinc/94/37/53/924943753.db2.gz WJENBUDHLBJLBO-NUEKZKHPSA-N 1 2 292.423 1.387 20 30 CDEDLO C=CCCCC(=O)N1CCC[N@@H+](CC(=O)NCCC)CC1 ZINC001196984665 925026139 /nfs/dbraw/zinc/02/61/39/925026139.db2.gz KDNAJLKKYHBHIG-UHFFFAOYSA-N 1 2 295.427 1.403 20 30 CDEDLO C=CCCCC(=O)N1CCC[N@H+](CC(=O)NCCC)CC1 ZINC001196984665 925026147 /nfs/dbraw/zinc/02/61/47/925026147.db2.gz KDNAJLKKYHBHIG-UHFFFAOYSA-N 1 2 295.427 1.403 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3snnc3CC)[C@@H]2C1 ZINC001084495437 925265825 /nfs/dbraw/zinc/26/58/25/925265825.db2.gz WDQHJPOCROWYBE-ZYHUDNBSSA-N 1 2 292.408 1.433 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3snnc3CC)[C@@H]2C1 ZINC001084495437 925265833 /nfs/dbraw/zinc/26/58/33/925265833.db2.gz WDQHJPOCROWYBE-ZYHUDNBSSA-N 1 2 292.408 1.433 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](F)CC)c1nccn12 ZINC001101636020 936995526 /nfs/dbraw/zinc/99/55/26/936995526.db2.gz YUNZSPHEGIXRSK-VXGBXAGGSA-N 1 2 292.358 1.389 20 30 CDEDLO Cc1ncoc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000826785284 925918385 /nfs/dbraw/zinc/91/83/85/925918385.db2.gz PBBDADNIGLCYKU-UHFFFAOYSA-N 1 2 283.335 1.572 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]cc2ncnc1-2 ZINC001085608851 926208909 /nfs/dbraw/zinc/20/89/09/926208909.db2.gz BKEBHSNOHOFLSY-LBPRGKRZSA-N 1 2 297.362 1.128 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]cc2ncnc1-2 ZINC001085608851 926208915 /nfs/dbraw/zinc/20/89/15/926208915.db2.gz BKEBHSNOHOFLSY-LBPRGKRZSA-N 1 2 297.362 1.128 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cncc2nc[nH]c21 ZINC001085608851 926208919 /nfs/dbraw/zinc/20/89/19/926208919.db2.gz BKEBHSNOHOFLSY-LBPRGKRZSA-N 1 2 297.362 1.128 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cncc2nc[nH]c21 ZINC001085608851 926208924 /nfs/dbraw/zinc/20/89/24/926208924.db2.gz BKEBHSNOHOFLSY-LBPRGKRZSA-N 1 2 297.362 1.128 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)cc2cn[nH]c21 ZINC001085873916 926469192 /nfs/dbraw/zinc/46/91/92/926469192.db2.gz MSEPOWNYFPSYJX-AWEZNQCLSA-N 1 2 296.374 1.651 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)cc2cn[nH]c21 ZINC001085873916 926469199 /nfs/dbraw/zinc/46/91/99/926469199.db2.gz MSEPOWNYFPSYJX-AWEZNQCLSA-N 1 2 296.374 1.651 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)cc2c[nH]nc21 ZINC001085873916 926469200 /nfs/dbraw/zinc/46/92/00/926469200.db2.gz MSEPOWNYFPSYJX-AWEZNQCLSA-N 1 2 296.374 1.651 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)cc2c[nH]nc21 ZINC001085873916 926469203 /nfs/dbraw/zinc/46/92/03/926469203.db2.gz MSEPOWNYFPSYJX-AWEZNQCLSA-N 1 2 296.374 1.651 20 30 CDEDLO Cc1c[nH+]c2n1CCC21CCN(C(=O)C2(C#N)CC2)CC1 ZINC001143173796 937128981 /nfs/dbraw/zinc/12/89/81/937128981.db2.gz JGBGTTXPLRWFPA-UHFFFAOYSA-N 1 2 284.363 1.759 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)/C=C\C2CC2)C1 ZINC001149521447 937188068 /nfs/dbraw/zinc/18/80/68/937188068.db2.gz NHYRKVYYOHEJDN-GEXIGZQTSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)/C=C\C2CC2)C1 ZINC001149521447 937188069 /nfs/dbraw/zinc/18/80/69/937188069.db2.gz NHYRKVYYOHEJDN-GEXIGZQTSA-N 1 2 298.814 1.912 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Nc2cc(C#N)ccc2F)C[NH2+]1 ZINC001169130115 927745557 /nfs/dbraw/zinc/74/55/57/927745557.db2.gz JVCLLVHNNMBTFE-SKDRFNHKSA-N 1 2 263.272 1.013 20 30 CDEDLO C#CC[NH2+]CC[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001104216997 937196895 /nfs/dbraw/zinc/19/68/95/937196895.db2.gz DDCGDCKWHRGXMM-MXWKQRLJSA-N 1 2 294.292 1.594 20 30 CDEDLO C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C ZINC001104216997 937196896 /nfs/dbraw/zinc/19/68/96/937196896.db2.gz DDCGDCKWHRGXMM-MXWKQRLJSA-N 1 2 294.292 1.594 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C#CC(C)C)C1 ZINC001149672865 937198383 /nfs/dbraw/zinc/19/83/83/937198383.db2.gz HCGGOZOVEBBMTK-CQSZACIVSA-N 1 2 298.814 1.605 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C#CC(C)C)C1 ZINC001149672865 937198384 /nfs/dbraw/zinc/19/83/84/937198384.db2.gz HCGGOZOVEBBMTK-CQSZACIVSA-N 1 2 298.814 1.605 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C2(C)CC2)C1 ZINC001149746349 937202610 /nfs/dbraw/zinc/20/26/10/937202610.db2.gz OTUJRVJIPKMOJU-GFCCVEGCSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C2(C)CC2)C1 ZINC001149746349 937202612 /nfs/dbraw/zinc/20/26/12/937202612.db2.gz OTUJRVJIPKMOJU-GFCCVEGCSA-N 1 2 286.803 1.746 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccon1)C2 ZINC001111667223 937217186 /nfs/dbraw/zinc/21/71/86/937217186.db2.gz XOWJJXCREPYSJE-HUBLWGQQSA-N 1 2 288.351 1.305 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccon1)C2 ZINC001111667223 937217189 /nfs/dbraw/zinc/21/71/89/937217189.db2.gz XOWJJXCREPYSJE-HUBLWGQQSA-N 1 2 288.351 1.305 20 30 CDEDLO Cc1nc(N(C)C[C@@H](C)NC(=O)[C@@H](C)C#N)c(C)c(C)[nH+]1 ZINC001108881062 928691683 /nfs/dbraw/zinc/69/16/83/928691683.db2.gz WNWWUTUMEQHNAC-VHSXEESVSA-N 1 2 289.383 1.502 20 30 CDEDLO Cc1nc(N(C)C[C@H](C)NC(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001108946320 928739253 /nfs/dbraw/zinc/73/92/53/928739253.db2.gz GQEQETWCBBQGAD-JTQLQIEISA-N 1 2 298.350 1.240 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)OC)C2 ZINC001108997206 928762349 /nfs/dbraw/zinc/76/23/49/928762349.db2.gz CIPBCMNRRGWKEA-USZNOCQGSA-N 1 2 272.776 1.495 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)OC)C2 ZINC001108997206 928762357 /nfs/dbraw/zinc/76/23/57/928762357.db2.gz CIPBCMNRRGWKEA-USZNOCQGSA-N 1 2 272.776 1.495 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001206640593 937280430 /nfs/dbraw/zinc/28/04/30/937280430.db2.gz HXGKRKBNIFDMEI-IQJOONFLSA-N 1 2 255.749 1.335 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001206640593 937280434 /nfs/dbraw/zinc/28/04/34/937280434.db2.gz HXGKRKBNIFDMEI-IQJOONFLSA-N 1 2 255.749 1.335 20 30 CDEDLO C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N)n1cc[nH+]c1 ZINC001109771041 929039958 /nfs/dbraw/zinc/03/99/58/929039958.db2.gz LAHNJJVGGSWJMH-CRWXNKLISA-N 1 2 287.367 1.079 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC001112610281 929250693 /nfs/dbraw/zinc/25/06/93/929250693.db2.gz ZCAVZZBSDYEJDK-UHFFFAOYSA-N 1 2 297.786 1.629 20 30 CDEDLO Cn1cc[nH+]c1CCCOC(=O)c1ccc(C#N)o1 ZINC000797129713 937322594 /nfs/dbraw/zinc/32/25/94/937322594.db2.gz OKBYJYHHPYRCHX-UHFFFAOYSA-N 1 2 259.265 1.674 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[NH2+]Cc1ncccn1 ZINC001134409955 929735673 /nfs/dbraw/zinc/73/56/73/929735673.db2.gz APVUFWHIZMGRBC-UHFFFAOYSA-N 1 2 262.357 1.285 20 30 CDEDLO CCc1cnc(C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C#N)o1 ZINC001152449483 937363298 /nfs/dbraw/zinc/36/32/98/937363298.db2.gz BMTQKPZMWUWKON-NWDGAFQWSA-N 1 2 292.383 1.723 20 30 CDEDLO CCc1cnc(C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C#N)o1 ZINC001152449483 937363301 /nfs/dbraw/zinc/36/33/01/937363301.db2.gz BMTQKPZMWUWKON-NWDGAFQWSA-N 1 2 292.383 1.723 20 30 CDEDLO N#CCOc1ccc(NC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001135236741 930109134 /nfs/dbraw/zinc/10/91/34/930109134.db2.gz ZIBYATUIYBQRJY-UHFFFAOYSA-N 1 2 256.265 1.493 20 30 CDEDLO C=CCNC(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001202569738 930313551 /nfs/dbraw/zinc/31/35/51/930313551.db2.gz OLNMYPOUNFVBAV-NSHDSACASA-N 1 2 273.327 1.687 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000884126350 930452025 /nfs/dbraw/zinc/45/20/25/930452025.db2.gz WXWJHIVURNTVPX-IHRRRGAJSA-N 1 2 296.411 1.764 20 30 CDEDLO C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)Nc1ccc(C#N)nc1 ZINC001115766230 937418472 /nfs/dbraw/zinc/41/84/72/937418472.db2.gz BNOKVGBGODEUQJ-GFCCVEGCSA-N 1 2 298.350 1.109 20 30 CDEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1nonc1C ZINC001273990690 930485244 /nfs/dbraw/zinc/48/52/44/930485244.db2.gz QCRQQLSZDHUPON-CHWSQXEVSA-N 1 2 276.340 1.129 20 30 CDEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1nonc1C ZINC001273990690 930485252 /nfs/dbraw/zinc/48/52/52/930485252.db2.gz QCRQQLSZDHUPON-CHWSQXEVSA-N 1 2 276.340 1.129 20 30 CDEDLO C=C[C@H](COC)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001116645034 937463296 /nfs/dbraw/zinc/46/32/96/937463296.db2.gz ZATQHWVCEFGLBZ-NWDGAFQWSA-N 1 2 278.356 1.500 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC001116805426 937473219 /nfs/dbraw/zinc/47/32/19/937473219.db2.gz QHZMHMHAXHBNRY-SNVBAGLBSA-N 1 2 266.291 1.535 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC001116805426 937473221 /nfs/dbraw/zinc/47/32/21/937473221.db2.gz QHZMHMHAXHBNRY-SNVBAGLBSA-N 1 2 266.291 1.535 20 30 CDEDLO C=CCC1(C(=O)NCC[NH2+]Cc2nonc2C)CCCC1 ZINC001153814228 937473481 /nfs/dbraw/zinc/47/34/81/937473481.db2.gz WJYCNAWWRVFBRT-UHFFFAOYSA-N 1 2 292.383 1.720 20 30 CDEDLO C=CCC1(C(=O)NCC[NH2+]Cc2cnsn2)CCCC1 ZINC001153814039 937473608 /nfs/dbraw/zinc/47/36/08/937473608.db2.gz NUOLHOROQUWNKJ-UHFFFAOYSA-N 1 2 294.424 1.880 20 30 CDEDLO CCOCCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCC#N ZINC001274030117 931128398 /nfs/dbraw/zinc/12/83/98/931128398.db2.gz CWCFCSPGTDIKCF-OAHLLOKOSA-N 1 2 279.384 1.394 20 30 CDEDLO CCOCCN1C[C@]2(CC1=O)CCCC[N@H+]2CCC#N ZINC001274030117 931128402 /nfs/dbraw/zinc/12/84/02/931128402.db2.gz CWCFCSPGTDIKCF-OAHLLOKOSA-N 1 2 279.384 1.394 20 30 CDEDLO C#CCO[C@@H](C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000822814625 931210879 /nfs/dbraw/zinc/21/08/79/931210879.db2.gz SWRFEUWEQFIMAV-ZDUSSCGKSA-N 1 2 283.331 1.527 20 30 CDEDLO CCOC(O)=c1cc2c(s1)=C([NH+]=C1C=CC=C1)NC=N2 ZINC001160168222 931236725 /nfs/dbraw/zinc/23/67/25/931236725.db2.gz QPKWUKUMIYQHTI-UHFFFAOYSA-N 1 2 286.336 1.177 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccco2)[C@@H](O)C1 ZINC001090659281 931266264 /nfs/dbraw/zinc/26/62/64/931266264.db2.gz FRKZCJSUKWZJFE-STQMWFEESA-N 1 2 298.770 1.126 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccco2)[C@@H](O)C1 ZINC001090659281 931266271 /nfs/dbraw/zinc/26/62/71/931266271.db2.gz FRKZCJSUKWZJFE-STQMWFEESA-N 1 2 298.770 1.126 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2nc(C)co2)C1=O ZINC001274372279 931495310 /nfs/dbraw/zinc/49/53/10/931495310.db2.gz LCDQSAVRAGBJKF-OAHLLOKOSA-N 1 2 275.352 1.736 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2nc(C)co2)C1=O ZINC001274372279 931495312 /nfs/dbraw/zinc/49/53/12/931495312.db2.gz LCDQSAVRAGBJKF-OAHLLOKOSA-N 1 2 275.352 1.736 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cc(F)ccn2)C1=O ZINC001274583964 931510862 /nfs/dbraw/zinc/51/08/62/931510862.db2.gz CBTNQXGFVNWXLN-MRXNPFEDSA-N 1 2 289.354 1.974 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)ccn2)C1=O ZINC001274583964 931510866 /nfs/dbraw/zinc/51/08/66/931510866.db2.gz CBTNQXGFVNWXLN-MRXNPFEDSA-N 1 2 289.354 1.974 20 30 CDEDLO C=CCN1CC[C@@]2(CCN(c3cccc[nH+]3)C2)C1=O ZINC001274740586 931564495 /nfs/dbraw/zinc/56/44/95/931564495.db2.gz XYJJKUUOUHCUGP-HNNXBMFYSA-N 1 2 257.337 1.696 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171116315 931574010 /nfs/dbraw/zinc/57/40/10/931574010.db2.gz NHZFXCXEBSBHSF-GJZGRUSLSA-N 1 2 275.783 1.995 20 30 CDEDLO C[N@@H+]1CCc2nc(C(=O)NCCCCC#N)sc2C1 ZINC001154222321 937518903 /nfs/dbraw/zinc/51/89/03/937518903.db2.gz AQZOPONEJZMYSR-UHFFFAOYSA-N 1 2 278.381 1.555 20 30 CDEDLO C[N@H+]1CCc2nc(C(=O)NCCCCC#N)sc2C1 ZINC001154222321 937518906 /nfs/dbraw/zinc/51/89/06/937518906.db2.gz AQZOPONEJZMYSR-UHFFFAOYSA-N 1 2 278.381 1.555 20 30 CDEDLO CC1(C)C[N@@H+](C2CN(Cc3ccc(C#N)cn3)C2)CCO1 ZINC001144163134 931677052 /nfs/dbraw/zinc/67/70/52/931677052.db2.gz OLGWVQSUTIOXEY-UHFFFAOYSA-N 1 2 286.379 1.248 20 30 CDEDLO CC1(C)C[N@H+](C2CN(Cc3ccc(C#N)cn3)C2)CCO1 ZINC001144163134 931677054 /nfs/dbraw/zinc/67/70/54/931677054.db2.gz OLGWVQSUTIOXEY-UHFFFAOYSA-N 1 2 286.379 1.248 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CC2CCC(O)CC2)CC1 ZINC001144345870 931767268 /nfs/dbraw/zinc/76/72/68/931767268.db2.gz GOOIXUVPEBRHIA-UHFFFAOYSA-N 1 2 266.385 1.258 20 30 CDEDLO C[C@H](CC(=O)OCC(=O)N(C)C(C)(C)C#N)n1cc[nH+]c1 ZINC000845278405 931793774 /nfs/dbraw/zinc/79/37/74/931793774.db2.gz OKIQKHIOFQHZTQ-LLVKDONJSA-N 1 2 292.339 1.138 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccnc3ncccc23)CC1 ZINC001154338215 937533617 /nfs/dbraw/zinc/53/36/17/937533617.db2.gz RKQULRUVQXLBOR-UHFFFAOYSA-N 1 2 282.347 1.574 20 30 CDEDLO C=C[C@@H](C)ONC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000845636345 931866751 /nfs/dbraw/zinc/86/67/51/931866751.db2.gz NPLYLMLZSTYDPP-GHMZBOCLSA-N 1 2 264.329 1.805 20 30 CDEDLO C[C@H](Cc1cccc(C#N)c1)[NH+]1CC(N(C)[C@@H]2CCOC2)C1 ZINC001171224848 932028151 /nfs/dbraw/zinc/02/81/51/932028151.db2.gz VJARWEYRCLEWBU-RHSMWYFYSA-N 1 2 299.418 1.894 20 30 CDEDLO C=CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1cn(C)nn1 ZINC001154957290 937612036 /nfs/dbraw/zinc/61/20/36/937612036.db2.gz BOWKETNQPFYPOL-CYBMUJFWSA-N 1 2 293.415 1.498 20 30 CDEDLO C=CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cn(C)nn1 ZINC001154957290 937612037 /nfs/dbraw/zinc/61/20/37/937612037.db2.gz BOWKETNQPFYPOL-CYBMUJFWSA-N 1 2 293.415 1.498 20 30 CDEDLO Cc1nc(N(C)CCCNC(=O)C#CC2CC2)cc[nH+]1 ZINC001095548653 932711172 /nfs/dbraw/zinc/71/11/72/932711172.db2.gz LRCMHGOHQCLMCK-UHFFFAOYSA-N 1 2 272.352 1.141 20 30 CDEDLO Cc1c[nH+]c(NCCC(=O)N(C)C2CC2)c(/C=N/O)c1 ZINC001155156456 937642703 /nfs/dbraw/zinc/64/27/03/937642703.db2.gz GWSBYABPYQPMAP-RQZCQDPDSA-N 1 2 276.340 1.621 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC(F)(F)[C@H](N)C2)cc1 ZINC001206654808 937654834 /nfs/dbraw/zinc/65/48/34/937654834.db2.gz DNIUWFCXPGKUMQ-GFCCVEGCSA-N 1 2 251.280 1.727 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC(F)(F)[C@H](N)C2)cc1 ZINC001206654808 937654836 /nfs/dbraw/zinc/65/48/36/937654836.db2.gz DNIUWFCXPGKUMQ-GFCCVEGCSA-N 1 2 251.280 1.727 20 30 CDEDLO N#C[C@@H]1CN(Cc2cccc3c[nH+]cn32)CCC1=O ZINC001238114773 945075993 /nfs/dbraw/zinc/07/59/93/945075993.db2.gz VYSICUUQSDHAEV-LLVKDONJSA-N 1 2 254.293 1.249 20 30 CDEDLO C=CCOCC(=O)N[C@@H](C)CCCNc1cc[nH+]c(C)n1 ZINC001114869044 935223879 /nfs/dbraw/zinc/22/38/79/935223879.db2.gz NSAZKGGHDSYLGF-LBPRGKRZSA-N 1 2 292.383 1.684 20 30 CDEDLO C=C(Cl)CN1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009209354 935420915 /nfs/dbraw/zinc/42/09/15/935420915.db2.gz SVJNDIINVQYYON-LBPRGKRZSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cncn2C)C1 ZINC001009209354 935420919 /nfs/dbraw/zinc/42/09/19/935420919.db2.gz SVJNDIINVQYYON-LBPRGKRZSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cncn2C)C1 ZINC001009209354 935420922 /nfs/dbraw/zinc/42/09/22/935420922.db2.gz SVJNDIINVQYYON-LBPRGKRZSA-N 1 2 296.802 1.296 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)(C)C ZINC001017664488 935646171 /nfs/dbraw/zinc/64/61/71/935646171.db2.gz HJHQEMHQFGIXEV-MELADBBJSA-N 1 2 262.397 1.977 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)(C)C ZINC001017664488 935646177 /nfs/dbraw/zinc/64/61/77/935646177.db2.gz HJHQEMHQFGIXEV-MELADBBJSA-N 1 2 262.397 1.977 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@H]2OC)C1 ZINC001043147531 935834202 /nfs/dbraw/zinc/83/42/02/935834202.db2.gz ORFJNNRGORWRDK-CHWSQXEVSA-N 1 2 252.358 1.130 20 30 CDEDLO Cc1nc(N[C@H](CNC(=O)[C@@H](C)C#N)C2CC2)cc[nH+]1 ZINC001096598055 936190686 /nfs/dbraw/zinc/19/06/86/936190686.db2.gz JHIZGUCGPJUHDZ-JOYOIKCWSA-N 1 2 273.340 1.251 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097014359 936255852 /nfs/dbraw/zinc/25/58/52/936255852.db2.gz SFCATLDDVAWAFF-LALPHHSUSA-N 1 2 290.367 1.171 20 30 CDEDLO N#Cc1cnc2cnc(Cl)cc2c1N1CC[NH2+]C[C@@H]1C#N ZINC001156321266 938351326 /nfs/dbraw/zinc/35/13/26/938351326.db2.gz XCHNPJMJOKMRTD-JTQLQIEISA-N 1 2 298.737 1.457 20 30 CDEDLO Cn1c[nH+]c(CCNC(=O)c2[nH]nc3cc(C#N)ccc32)c1 ZINC001156889602 938429679 /nfs/dbraw/zinc/42/96/79/938429679.db2.gz YKVXGUPNQZZVMC-UHFFFAOYSA-N 1 2 294.318 1.141 20 30 CDEDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CCCCCC#N ZINC001157037738 938448176 /nfs/dbraw/zinc/44/81/76/938448176.db2.gz XFWIHHNLPIZNNM-GFCCVEGCSA-N 1 2 292.339 1.084 20 30 CDEDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CCCCCC#N ZINC001157037738 938448178 /nfs/dbraw/zinc/44/81/78/938448178.db2.gz XFWIHHNLPIZNNM-GFCCVEGCSA-N 1 2 292.339 1.084 20 30 CDEDLO C#CCCCC(=O)NCCC[NH2+][C@@H](C)c1noc(C)n1 ZINC001157170342 938461779 /nfs/dbraw/zinc/46/17/79/938461779.db2.gz HBWJIOXOHOTDAO-NSHDSACASA-N 1 2 278.356 1.338 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1ncnc(Cl)c1C#N ZINC001157460176 938495751 /nfs/dbraw/zinc/49/57/51/938495751.db2.gz QVJAZKIIBNLCLT-UHFFFAOYSA-N 1 2 276.731 1.725 20 30 CDEDLO N#Cc1cnc(N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)cn1 ZINC001158624402 938642811 /nfs/dbraw/zinc/64/28/11/938642811.db2.gz KWSPUDVGQIGYKQ-LBPRGKRZSA-N 1 2 293.321 1.658 20 30 CDEDLO CCOC(=O)Cc1ccc(NCCCS)[nH+]c1 ZINC001159869479 938758056 /nfs/dbraw/zinc/75/80/56/938758056.db2.gz FXOFTCCAOZBQOA-UHFFFAOYSA-N 1 2 254.355 1.919 20 30 CDEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCC(N)=O)[nH+]1 ZINC001161841158 938935039 /nfs/dbraw/zinc/93/50/39/938935039.db2.gz YGOXBMOBPTYNPU-QDGSLSSCSA-N 1 2 296.396 1.168 20 30 CDEDLO Cc1nc(Cl)c(C#N)c(NC[C@H]2C[N@H+](C)CCO2)n1 ZINC001162683739 939115108 /nfs/dbraw/zinc/11/51/08/939115108.db2.gz YWAZWIHQHICTBP-VIFPVBQESA-N 1 2 281.747 1.053 20 30 CDEDLO Cc1nc(Cl)c(C#N)c(NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC001162683739 939115110 /nfs/dbraw/zinc/11/51/10/939115110.db2.gz YWAZWIHQHICTBP-VIFPVBQESA-N 1 2 281.747 1.053 20 30 CDEDLO Cc1ccc(NC[C@H]([NH3+])C(=O)OC(C)(C)C)nc1C#N ZINC001162849547 939152976 /nfs/dbraw/zinc/15/29/76/939152976.db2.gz MNQQCRVOFOACKR-JTQLQIEISA-N 1 2 276.340 1.343 20 30 CDEDLO N#Cc1cc(Cl)nc(C(F)(F)N2CC[NH2+]C[C@H]2C#N)c1 ZINC001164651803 939502095 /nfs/dbraw/zinc/50/20/95/939502095.db2.gz LVKHUJAWXZMKMV-SECBINFHSA-N 1 2 297.696 1.453 20 30 CDEDLO CC(C)COc1cccc(N2CC[NH2+]C[C@H]2C#N)n1 ZINC001164652850 939502495 /nfs/dbraw/zinc/50/24/95/939502495.db2.gz UCUDIBFQKUNLSU-GFCCVEGCSA-N 1 2 260.341 1.418 20 30 CDEDLO CC[C@@H](C)c1nc2[nH]ccc2c(N2CC[NH2+]C[C@H]2C#N)n1 ZINC001164675969 939503204 /nfs/dbraw/zinc/50/32/04/939503204.db2.gz WGQFKYJEHUQZOI-GHMZBOCLSA-N 1 2 284.367 1.773 20 30 CDEDLO C[C@H]1C(=O)NCCN1c1[nH+]ccc2ccc(C#N)cc21 ZINC001166560312 939613801 /nfs/dbraw/zinc/61/38/01/939613801.db2.gz KRBFHJNTZFXTJR-JTQLQIEISA-N 1 2 266.304 1.431 20 30 CDEDLO CCOC(=O)[C@H]1CN(c2[nH+]c(C)ccc2CC#N)CCO1 ZINC001166829090 939642660 /nfs/dbraw/zinc/64/26/60/939642660.db2.gz WHSDUTRCAJANFM-CYBMUJFWSA-N 1 2 289.335 1.224 20 30 CDEDLO C=CCOc1ccc(C[NH+]2CC3(C2)CS(=O)C3)cc1 ZINC001204297124 939754227 /nfs/dbraw/zinc/75/42/27/939754227.db2.gz BOWYHUQUZRJUIS-UHFFFAOYSA-N 1 2 277.389 1.816 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1C ZINC001206489824 940048889 /nfs/dbraw/zinc/04/88/89/940048889.db2.gz ALHVJSXERBAWPV-DGCLKSJQSA-N 1 2 263.341 1.577 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1C ZINC001206489824 940048893 /nfs/dbraw/zinc/04/88/93/940048893.db2.gz ALHVJSXERBAWPV-DGCLKSJQSA-N 1 2 263.341 1.577 20 30 CDEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)cc1C#N ZINC001207102618 940149686 /nfs/dbraw/zinc/14/96/86/940149686.db2.gz CPQJERUCXFKLCL-RYUDHWBXSA-N 1 2 251.305 1.049 20 30 CDEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H](CO)C2)cc1C#N ZINC001207102618 940149687 /nfs/dbraw/zinc/14/96/87/940149687.db2.gz CPQJERUCXFKLCL-RYUDHWBXSA-N 1 2 251.305 1.049 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cn3c(cccc3C)n2)CC1 ZINC000089945688 940390433 /nfs/dbraw/zinc/39/04/33/940390433.db2.gz PEPGZKDZNPWBIS-UHFFFAOYSA-N 1 2 268.364 1.394 20 30 CDEDLO C=CCN(CC[N@@H+]1CC[C@@](C)(O)[C@@H](F)C1)C(=O)OCC ZINC001209017259 940424085 /nfs/dbraw/zinc/42/40/85/940424085.db2.gz MWIUTZZSNNSJPB-GXTWGEPZSA-N 1 2 288.363 1.426 20 30 CDEDLO C=CCN(CC[N@H+]1CC[C@@](C)(O)[C@@H](F)C1)C(=O)OCC ZINC001209017259 940424087 /nfs/dbraw/zinc/42/40/87/940424087.db2.gz MWIUTZZSNNSJPB-GXTWGEPZSA-N 1 2 288.363 1.426 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1OC ZINC001213273477 940765967 /nfs/dbraw/zinc/76/59/67/940765967.db2.gz QIQATEOHSVWPAR-BYAJROORSA-N 1 2 286.803 1.767 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1OC ZINC001213273477 940765969 /nfs/dbraw/zinc/76/59/69/940765969.db2.gz QIQATEOHSVWPAR-BYAJROORSA-N 1 2 286.803 1.767 20 30 CDEDLO CCn1cc(C[NH2+]Cc2ccc(OC)c(C#N)c2)nn1 ZINC000404467067 940963120 /nfs/dbraw/zinc/96/31/20/940963120.db2.gz NBAXAYLYALWDEX-UHFFFAOYSA-N 1 2 271.324 1.468 20 30 CDEDLO C/C(=N\O)c1ccccc1O[C@@H]1C[NH2+]CC1(F)F ZINC001218235020 941048172 /nfs/dbraw/zinc/04/81/72/941048172.db2.gz ISCIYJGPWDGWKL-FNQVVVRFSA-N 1 2 256.252 1.871 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC[C@H](C)CC)[C@H]2C1 ZINC001218832422 941277959 /nfs/dbraw/zinc/27/79/59/941277959.db2.gz PLVHITCEGBGWCL-QLFBSQMISA-N 1 2 278.396 1.358 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[C@H](C)CC)[C@H]2C1 ZINC001218832422 941277962 /nfs/dbraw/zinc/27/79/62/941277962.db2.gz PLVHITCEGBGWCL-QLFBSQMISA-N 1 2 278.396 1.358 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)COCC)[C@@H]2C1 ZINC001221245280 941506450 /nfs/dbraw/zinc/50/64/50/941506450.db2.gz FYIMVXMPNQAMER-VXGBXAGGSA-N 1 2 272.776 1.308 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)COCC)[C@@H]2C1 ZINC001221245280 941506451 /nfs/dbraw/zinc/50/64/51/941506451.db2.gz FYIMVXMPNQAMER-VXGBXAGGSA-N 1 2 272.776 1.308 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4c(c3)OCCO4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226035112 941943738 /nfs/dbraw/zinc/94/37/38/941943738.db2.gz YEWXOSZGFNZMAO-FDAWXEHDSA-N 1 2 289.331 1.449 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4c(c3)OCCO4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226035112 941943739 /nfs/dbraw/zinc/94/37/39/941943739.db2.gz YEWXOSZGFNZMAO-FDAWXEHDSA-N 1 2 289.331 1.449 20 30 CDEDLO CCc1cnc(C[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)o1 ZINC001226617281 942035605 /nfs/dbraw/zinc/03/56/05/942035605.db2.gz DGGUSRVWOUESJD-LLVKDONJSA-N 1 2 290.367 1.477 20 30 CDEDLO Cc1ccnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1C#N ZINC001228305713 942294208 /nfs/dbraw/zinc/29/42/08/942294208.db2.gz WOYYHKCTESYYCY-VSSGSJIUSA-N 1 2 271.320 1.253 20 30 CDEDLO Cc1ccnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1C#N ZINC001228305713 942294212 /nfs/dbraw/zinc/29/42/12/942294212.db2.gz WOYYHKCTESYYCY-VSSGSJIUSA-N 1 2 271.320 1.253 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(C)no1 ZINC001231115545 942789179 /nfs/dbraw/zinc/78/91/79/942789179.db2.gz WDYSWUAIKOZLHY-CYBMUJFWSA-N 1 2 277.368 1.982 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(C)no1 ZINC001231115545 942789181 /nfs/dbraw/zinc/78/91/81/942789181.db2.gz WDYSWUAIKOZLHY-CYBMUJFWSA-N 1 2 277.368 1.982 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC(C)C ZINC001231121331 942792605 /nfs/dbraw/zinc/79/26/05/942792605.db2.gz BUTOMTJCQZQNOQ-CYBMUJFWSA-N 1 2 281.400 1.010 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC(C)C ZINC001231121331 942792607 /nfs/dbraw/zinc/79/26/07/942792607.db2.gz BUTOMTJCQZQNOQ-CYBMUJFWSA-N 1 2 281.400 1.010 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N1CCCC1 ZINC001231122863 942793031 /nfs/dbraw/zinc/79/30/31/942793031.db2.gz PHFGBWSYOLZEEB-AWEZNQCLSA-N 1 2 293.411 1.108 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N1CCCC1 ZINC001231122863 942793035 /nfs/dbraw/zinc/79/30/35/942793035.db2.gz PHFGBWSYOLZEEB-AWEZNQCLSA-N 1 2 293.411 1.108 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1conc1C ZINC001231234364 942825889 /nfs/dbraw/zinc/82/58/89/942825889.db2.gz RWBBJJUARIKWCY-AWEZNQCLSA-N 1 2 293.367 1.218 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1conc1C ZINC001231234364 942825895 /nfs/dbraw/zinc/82/58/95/942825895.db2.gz RWBBJJUARIKWCY-AWEZNQCLSA-N 1 2 293.367 1.218 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)C(=O)C(C)(C)C ZINC001231255437 942836751 /nfs/dbraw/zinc/83/67/51/942836751.db2.gz MNDFTLHZXPLCBO-NSHDSACASA-N 1 2 252.358 1.320 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(=O)C(C)(C)C ZINC001231255437 942836763 /nfs/dbraw/zinc/83/67/63/942836763.db2.gz MNDFTLHZXPLCBO-NSHDSACASA-N 1 2 252.358 1.320 20 30 CDEDLO C#Cc1cccc(C[N@H+]2CCOC[C@](O)(C(F)(F)F)C2)c1 ZINC001231657908 942963194 /nfs/dbraw/zinc/96/31/94/942963194.db2.gz OEZMIXSOAQDTBG-AWEZNQCLSA-N 1 2 299.292 1.794 20 30 CDEDLO C#Cc1cccc(C[N@@H+]2CCOC[C@](O)(C(F)(F)F)C2)c1 ZINC001231657908 942963199 /nfs/dbraw/zinc/96/31/99/942963199.db2.gz OEZMIXSOAQDTBG-AWEZNQCLSA-N 1 2 299.292 1.794 20 30 CDEDLO C#CCN1CC[NH+](Cc2cc(Cl)c(OC)cc2O)CC1 ZINC001232269547 943197128 /nfs/dbraw/zinc/19/71/28/943197128.db2.gz DECPFUDTIBAAPQ-UHFFFAOYSA-N 1 2 294.782 1.805 20 30 CDEDLO Cc1[nH]c(CN2CCN(c3cc(C#N)ccn3)CC2)c[nH+]1 ZINC001232463044 943282818 /nfs/dbraw/zinc/28/28/18/943282818.db2.gz BPLOVDVXAGSGGD-UHFFFAOYSA-N 1 2 282.351 1.307 20 30 CDEDLO Cc1[nH]cc(CN2CCN(c3cc(C#N)ccn3)CC2)[nH+]1 ZINC001232463044 943282824 /nfs/dbraw/zinc/28/28/24/943282824.db2.gz BPLOVDVXAGSGGD-UHFFFAOYSA-N 1 2 282.351 1.307 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc(F)ccc2N)CC1 ZINC001232513831 943312375 /nfs/dbraw/zinc/31/23/75/943312375.db2.gz MOMNBBVJCYJXCP-UHFFFAOYSA-N 1 2 291.326 1.687 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c1 ZINC001232674843 943357143 /nfs/dbraw/zinc/35/71/43/943357143.db2.gz FTNWIJDMRZXAHJ-OCCSQVGLSA-N 1 2 258.321 1.732 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c1 ZINC001232674843 943357150 /nfs/dbraw/zinc/35/71/50/943357150.db2.gz FTNWIJDMRZXAHJ-OCCSQVGLSA-N 1 2 258.321 1.732 20 30 CDEDLO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(C#N)ccc2O)C1 ZINC001232678358 943359343 /nfs/dbraw/zinc/35/93/43/943359343.db2.gz WJTPFFZAYPVNFU-OAHLLOKOSA-N 1 2 287.363 1.707 20 30 CDEDLO CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2O)C1 ZINC001232678358 943359345 /nfs/dbraw/zinc/35/93/45/943359345.db2.gz WJTPFFZAYPVNFU-OAHLLOKOSA-N 1 2 287.363 1.707 20 30 CDEDLO COC(=O)[C@H]1C[N@H+](Cc2cc(C#N)ccc2O)C[C@@H]1C ZINC001232680692 943361748 /nfs/dbraw/zinc/36/17/48/943361748.db2.gz GKKNVKGTUYOATI-GWCFXTLKSA-N 1 2 274.320 1.505 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(C#N)ccc2O)C[C@@H]1C ZINC001232680692 943361754 /nfs/dbraw/zinc/36/17/54/943361754.db2.gz GKKNVKGTUYOATI-GWCFXTLKSA-N 1 2 274.320 1.505 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC001232679084 943361881 /nfs/dbraw/zinc/36/18/81/943361881.db2.gz ZVSQBJDWGQOHBO-DOMZBBRYSA-N 1 2 258.321 1.875 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC001232679084 943361887 /nfs/dbraw/zinc/36/18/87/943361887.db2.gz ZVSQBJDWGQOHBO-DOMZBBRYSA-N 1 2 258.321 1.875 20 30 CDEDLO Cc1ncc(C[N@@H+](C)Cc2cccc(C#N)n2)cn1 ZINC001232926266 943435845 /nfs/dbraw/zinc/43/58/45/943435845.db2.gz GFPNFEZTEIWMLU-UHFFFAOYSA-N 1 2 253.309 1.684 20 30 CDEDLO Cc1ncc(C[N@H+](C)Cc2cccc(C#N)n2)cn1 ZINC001232926266 943435848 /nfs/dbraw/zinc/43/58/48/943435848.db2.gz GFPNFEZTEIWMLU-UHFFFAOYSA-N 1 2 253.309 1.684 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@](F)(CO)C2)c(O)c1 ZINC001233383255 943569464 /nfs/dbraw/zinc/56/94/64/943569464.db2.gz BVAKDVVDJLVMSJ-CYBMUJFWSA-N 1 2 250.273 1.170 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)c(O)c1 ZINC001233383255 943569468 /nfs/dbraw/zinc/56/94/68/943569468.db2.gz BVAKDVVDJLVMSJ-CYBMUJFWSA-N 1 2 250.273 1.170 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC1(C)C ZINC001233673591 943638073 /nfs/dbraw/zinc/63/80/73/943638073.db2.gz GMUAHXKJKUNRHO-KBPBESRZSA-N 1 2 278.396 1.215 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC1(C)C ZINC001233673591 943638074 /nfs/dbraw/zinc/63/80/74/943638074.db2.gz GMUAHXKJKUNRHO-KBPBESRZSA-N 1 2 278.396 1.215 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(F)c(F)c(OC)c2)CC1 ZINC001235451774 944159915 /nfs/dbraw/zinc/15/99/15/944159915.db2.gz SEGSYKMTCYIQSM-UHFFFAOYSA-N 1 2 280.318 1.724 20 30 CDEDLO N#CCc1ccccc1C[NH+]1CCN(C(=O)C2CC2)CC1 ZINC001235522715 944185942 /nfs/dbraw/zinc/18/59/42/944185942.db2.gz IWMWKJZPQPIOQJ-UHFFFAOYSA-N 1 2 283.375 1.807 20 30 CDEDLO Cc1ncn(C)c1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC001235554146 944200301 /nfs/dbraw/zinc/20/03/01/944200301.db2.gz YMVBVESNGSONLA-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)n1cnc(C)c1 ZINC001235799738 944280434 /nfs/dbraw/zinc/28/04/34/944280434.db2.gz WJVRNPOCYPYOKD-CQSZACIVSA-N 1 2 288.395 1.093 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)n1cnc(C)c1 ZINC001235799738 944280439 /nfs/dbraw/zinc/28/04/39/944280439.db2.gz WJVRNPOCYPYOKD-CQSZACIVSA-N 1 2 288.395 1.093 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCOC)C1 ZINC001266198061 944750437 /nfs/dbraw/zinc/75/04/37/944750437.db2.gz XABOYLZYMBOTRH-LLVKDONJSA-N 1 2 260.765 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCOC)C1 ZINC001266198061 944750443 /nfs/dbraw/zinc/75/04/43/944750443.db2.gz XABOYLZYMBOTRH-LLVKDONJSA-N 1 2 260.765 1.356 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c(F)cc1F ZINC001237526037 944824786 /nfs/dbraw/zinc/82/47/86/944824786.db2.gz YKEDVCRESKZJDI-BXUZGUMPSA-N 1 2 282.290 1.012 20 30 CDEDLO N#Cc1cc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c(F)cc1F ZINC001237526037 944824790 /nfs/dbraw/zinc/82/47/90/944824790.db2.gz YKEDVCRESKZJDI-BXUZGUMPSA-N 1 2 282.290 1.012 20 30 CDEDLO CC(=O)N[C@@H]1CCC[N@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237607908 944880682 /nfs/dbraw/zinc/88/06/82/944880682.db2.gz CKQZONCGQUWXFO-CQSZACIVSA-N 1 2 297.362 1.306 20 30 CDEDLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237607908 944880688 /nfs/dbraw/zinc/88/06/88/944880688.db2.gz CKQZONCGQUWXFO-CQSZACIVSA-N 1 2 297.362 1.306 20 30 CDEDLO CCCCCCCOC(=O)N1CC[NH2+]C[C@@H]1C(=O)OC ZINC001239329009 945415146 /nfs/dbraw/zinc/41/51/46/945415146.db2.gz QJJCNQQULTUNIZ-GFCCVEGCSA-N 1 2 286.372 1.540 20 30 CDEDLO COc1ccccc1C[C@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001258887501 945436557 /nfs/dbraw/zinc/43/65/57/945436557.db2.gz GDSWFTMLGDFKGN-JSGCOSHPSA-N 1 2 259.353 1.424 20 30 CDEDLO N#C[C@]1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC12CCCC2 ZINC001362365808 971195246 /nfs/dbraw/zinc/19/52/46/971195246.db2.gz IYKXVPGENSBLHD-LRDDRELGSA-N 1 2 284.363 1.788 20 30 CDEDLO C[C@H]1C[C@@H](C(=O)NC2(C#N)CC[NH+](C)CC2)CCC1=O ZINC001254145255 947303728 /nfs/dbraw/zinc/30/37/28/947303728.db2.gz RBBITEJLNZDARS-RYUDHWBXSA-N 1 2 277.368 1.096 20 30 CDEDLO C=C[C@H]1C[C@]1([NH2+]C1CCN(C(C)=O)CC1)C(=O)OCC ZINC001254418882 947431191 /nfs/dbraw/zinc/43/11/91/947431191.db2.gz XTPBXRXTMRHDPX-SWLSCSKDSA-N 1 2 280.368 1.095 20 30 CDEDLO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1C#N ZINC001254551707 947520994 /nfs/dbraw/zinc/52/09/94/947520994.db2.gz DINAVPZNBOZUSB-DGCLKSJQSA-N 1 2 274.324 1.323 20 30 CDEDLO C=C[C@@H]1C[C@]1([NH2+]C1CCC2(CC1)OCCO2)C(=O)OCC ZINC001255617617 948033555 /nfs/dbraw/zinc/03/35/55/948033555.db2.gz PFSXWXSBDKYJDQ-MLGOLLRUSA-N 1 2 295.379 1.770 20 30 CDEDLO C=CC[C@@H]([NH2+][C@H]1CC[C@H](C(=O)OCC)C1)C(=O)OC ZINC001257041721 948494515 /nfs/dbraw/zinc/49/45/15/948494515.db2.gz VAMXSWILGLDHGM-SDDRHHMPSA-N 1 2 269.341 1.426 20 30 CDEDLO C#CC[C@@H]([NH3+])c1nc(-c2cccc3c2CCC3=O)no1 ZINC001247609099 948678358 /nfs/dbraw/zinc/67/83/58/948678358.db2.gz DZUUYYPKDSNPRM-GFCCVEGCSA-N 1 2 267.288 1.889 20 30 CDEDLO Cc1cc(-c2noc([C@@H]3C[N@H+](C)CCO3)n2)ccc1C#N ZINC001248228806 948982937 /nfs/dbraw/zinc/98/29/37/948982937.db2.gz QIJJNDQKGMBIMR-ZDUSSCGKSA-N 1 2 284.319 1.920 20 30 CDEDLO Cc1cc(-c2noc([C@@H]3C[N@@H+](C)CCO3)n2)ccc1C#N ZINC001248228806 948982943 /nfs/dbraw/zinc/98/29/43/948982943.db2.gz QIJJNDQKGMBIMR-ZDUSSCGKSA-N 1 2 284.319 1.920 20 30 CDEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1CC(C)(C)O ZINC001252349383 951198825 /nfs/dbraw/zinc/19/88/25/951198825.db2.gz DUPIDBPCYSMVHP-ZDUSSCGKSA-N 1 2 294.399 1.171 20 30 CDEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1CC(C)(C)O ZINC001252349383 951198833 /nfs/dbraw/zinc/19/88/33/951198833.db2.gz DUPIDBPCYSMVHP-ZDUSSCGKSA-N 1 2 294.399 1.171 20 30 CDEDLO C=CCC[C@@H](O)CNc1ccc[nH+]c1N1CCOCC1 ZINC001252588659 951481376 /nfs/dbraw/zinc/48/13/76/951481376.db2.gz OSXJICFLPFSUGK-CYBMUJFWSA-N 1 2 277.368 1.657 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1Cc2nnn(CC)c2[C@H](COC)C1 ZINC001252594698 951487088 /nfs/dbraw/zinc/48/70/88/951487088.db2.gz APPYMKVLAQCYHB-QWHCGFSZSA-N 1 2 294.399 1.171 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1Cc2nnn(CC)c2[C@H](COC)C1 ZINC001252594698 951487093 /nfs/dbraw/zinc/48/70/93/951487093.db2.gz APPYMKVLAQCYHB-QWHCGFSZSA-N 1 2 294.399 1.171 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH2+]C[C@H](O)CCC)[C@@H](C)CC ZINC001252799088 951645843 /nfs/dbraw/zinc/64/58/43/951645843.db2.gz LLIFJOQMSTXMCV-XQQFMLRXSA-N 1 2 257.374 1.881 20 30 CDEDLO C=C[C@@H](O)C[N@@H+]1CCc2onc(C(=O)N(C)C(C)C)c2C1 ZINC001253577572 951967368 /nfs/dbraw/zinc/96/73/68/951967368.db2.gz WXNKVMAXMGVVEQ-LLVKDONJSA-N 1 2 293.367 1.060 20 30 CDEDLO C=C[C@@H](O)C[N@H+]1CCc2onc(C(=O)N(C)C(C)C)c2C1 ZINC001253577572 951967374 /nfs/dbraw/zinc/96/73/74/951967374.db2.gz WXNKVMAXMGVVEQ-LLVKDONJSA-N 1 2 293.367 1.060 20 30 CDEDLO C=C[C@@H](O)C[N@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC001253584915 951975220 /nfs/dbraw/zinc/97/52/20/951975220.db2.gz SLGDAUPZMRRROE-KGLIPLIRSA-N 1 2 261.321 1.133 20 30 CDEDLO C=C[C@@H](O)C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC001253584915 951975224 /nfs/dbraw/zinc/97/52/24/951975224.db2.gz SLGDAUPZMRRROE-KGLIPLIRSA-N 1 2 261.321 1.133 20 30 CDEDLO C[C@](O)(C[N@@H+]1CC[C@H](C#N)C1)C(=O)OCc1ccccc1 ZINC001253636925 952005646 /nfs/dbraw/zinc/00/56/46/952005646.db2.gz WIXRXJJJCJQBIL-ZBFHGGJFSA-N 1 2 288.347 1.326 20 30 CDEDLO C[C@](O)(C[N@H+]1CC[C@H](C#N)C1)C(=O)OCc1ccccc1 ZINC001253636925 952005654 /nfs/dbraw/zinc/00/56/54/952005654.db2.gz WIXRXJJJCJQBIL-ZBFHGGJFSA-N 1 2 288.347 1.326 20 30 CDEDLO Cc1ccn(C[N@@H+]2CCC[C@@H](CF)C2)c(=O)c1C#N ZINC001333803896 954034711 /nfs/dbraw/zinc/03/47/11/954034711.db2.gz BYUBNAGCNPEINY-LBPRGKRZSA-N 1 2 263.316 1.667 20 30 CDEDLO Cc1ccn(C[N@H+]2CCC[C@@H](CF)C2)c(=O)c1C#N ZINC001333803896 954034724 /nfs/dbraw/zinc/03/47/24/954034724.db2.gz BYUBNAGCNPEINY-LBPRGKRZSA-N 1 2 263.316 1.667 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(OCC#N)cc1 ZINC001364066997 954173285 /nfs/dbraw/zinc/17/32/85/954173285.db2.gz QIFKPNSDLUUZSM-LBPRGKRZSA-N 1 2 299.334 1.996 20 30 CDEDLO Cc1nocc1C[N@@H+](CCNC(=O)[C@@H](C)C#N)C1CC1 ZINC001493357911 972029623 /nfs/dbraw/zinc/02/96/23/972029623.db2.gz UJYKYJOYVTVGRK-JTQLQIEISA-N 1 2 276.340 1.223 20 30 CDEDLO Cc1nocc1C[N@H+](CCNC(=O)[C@@H](C)C#N)C1CC1 ZINC001493357911 972029629 /nfs/dbraw/zinc/02/96/29/972029629.db2.gz UJYKYJOYVTVGRK-JTQLQIEISA-N 1 2 276.340 1.223 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cnc(C)cn1 ZINC001422146106 955781216 /nfs/dbraw/zinc/78/12/16/955781216.db2.gz NOHMUPKLWWPNIV-UHFFFAOYSA-N 1 2 282.775 1.541 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cnc(C)cn1 ZINC001422146106 955781226 /nfs/dbraw/zinc/78/12/26/955781226.db2.gz NOHMUPKLWWPNIV-UHFFFAOYSA-N 1 2 282.775 1.541 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1nc(C)c[nH]1 ZINC001422904254 956439848 /nfs/dbraw/zinc/43/98/48/956439848.db2.gz ROXYUUCCQOJIPY-SNVBAGLBSA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1nc(C)c[nH]1 ZINC001422904254 956439855 /nfs/dbraw/zinc/43/98/55/956439855.db2.gz ROXYUUCCQOJIPY-SNVBAGLBSA-N 1 2 270.764 1.521 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC001330671506 956555501 /nfs/dbraw/zinc/55/55/01/956555501.db2.gz NJGQJEQQEFRUBB-PSASIEDQSA-N 1 2 263.345 1.256 20 30 CDEDLO C=CCC1(O)C[NH+]([C@@H]2CCC3(C[C@@H]2F)OCCO3)C1 ZINC001308979900 956609667 /nfs/dbraw/zinc/60/96/67/956609667.db2.gz JIRFMUAYDCJNED-NWDGAFQWSA-N 1 2 271.332 1.243 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)CC1 ZINC001313445065 956861099 /nfs/dbraw/zinc/86/10/99/956861099.db2.gz RDEBZAJLALPING-GFCCVEGCSA-N 1 2 274.368 1.160 20 30 CDEDLO C=C(Cl)CN1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001494576303 972260562 /nfs/dbraw/zinc/26/05/62/972260562.db2.gz LSDBOMSEQOVTPN-UHFFFAOYSA-N 1 2 282.775 1.074 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCc2cccnc2)C1 ZINC001367029672 957355174 /nfs/dbraw/zinc/35/51/74/957355174.db2.gz KFGOPGBJNWXJOE-CQSZACIVSA-N 1 2 293.798 1.957 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCc2cccnc2)C1 ZINC001367029672 957355184 /nfs/dbraw/zinc/35/51/84/957355184.db2.gz KFGOPGBJNWXJOE-CQSZACIVSA-N 1 2 293.798 1.957 20 30 CDEDLO C=CCNC(=S)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001319193190 958425406 /nfs/dbraw/zinc/42/54/06/958425406.db2.gz XHWRCGDQTQTBFH-LBPRGKRZSA-N 1 2 278.425 1.735 20 30 CDEDLO C=C(C)CCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC001335433126 959796790 /nfs/dbraw/zinc/79/67/90/959796790.db2.gz VWBIXDXVQXWHAO-UHFFFAOYSA-N 1 2 254.374 1.570 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cccn1 ZINC001370858866 960219146 /nfs/dbraw/zinc/21/91/46/960219146.db2.gz YEACLNUGWDCXNX-CYBMUJFWSA-N 1 2 296.802 1.606 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cccn1 ZINC001370858866 960219153 /nfs/dbraw/zinc/21/91/53/960219153.db2.gz YEACLNUGWDCXNX-CYBMUJFWSA-N 1 2 296.802 1.606 20 30 CDEDLO C=CCN(CCOC)c1nnc([C@@H]2CCCC[N@@H+]2C)n1C ZINC001338577754 961885417 /nfs/dbraw/zinc/88/54/17/961885417.db2.gz BQGCXMZVRJLUIQ-ZDUSSCGKSA-N 1 2 293.415 1.611 20 30 CDEDLO C=CCN(CCOC)c1nnc([C@@H]2CCCC[N@H+]2C)n1C ZINC001338577754 961885433 /nfs/dbraw/zinc/88/54/33/961885433.db2.gz BQGCXMZVRJLUIQ-ZDUSSCGKSA-N 1 2 293.415 1.611 20 30 CDEDLO Cn1ccc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)c1 ZINC001437459222 962924845 /nfs/dbraw/zinc/92/48/45/962924845.db2.gz QPZCJTNRSHUHQO-UHFFFAOYSA-N 1 2 296.374 1.759 20 30 CDEDLO Cn1ccc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)c1 ZINC001437459222 962924862 /nfs/dbraw/zinc/92/48/62/962924862.db2.gz QPZCJTNRSHUHQO-UHFFFAOYSA-N 1 2 296.374 1.759 20 30 CDEDLO C=CCN(C)c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1CC ZINC001340444872 962939311 /nfs/dbraw/zinc/93/93/11/962939311.db2.gz ZMAUMRQIHGZMGM-CYBMUJFWSA-N 1 2 293.415 1.702 20 30 CDEDLO C=CCN(C)c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1CC ZINC001340444872 962939322 /nfs/dbraw/zinc/93/93/22/962939322.db2.gz ZMAUMRQIHGZMGM-CYBMUJFWSA-N 1 2 293.415 1.702 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)CCc1ccon1)C1CC1 ZINC001437797102 963188995 /nfs/dbraw/zinc/18/89/95/963188995.db2.gz DQENGUUIIAQOJQ-UHFFFAOYSA-N 1 2 297.786 1.940 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)CCc1ccon1)C1CC1 ZINC001437797102 963189004 /nfs/dbraw/zinc/18/90/04/963189004.db2.gz DQENGUUIIAQOJQ-UHFFFAOYSA-N 1 2 297.786 1.940 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](C)CSC)C1 ZINC001438114410 963328038 /nfs/dbraw/zinc/32/80/38/963328038.db2.gz UCYNHJWVLFGUMS-SECBINFHSA-N 1 2 276.833 1.786 20 30 CDEDLO Cn1c[nH+]cc1CCCOC(=O)COc1cccc(C#N)c1 ZINC001343724730 964120299 /nfs/dbraw/zinc/12/02/99/964120299.db2.gz JNNFXJOMPSQIRK-UHFFFAOYSA-N 1 2 299.330 1.847 20 30 CDEDLO N#CC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001442550337 965111581 /nfs/dbraw/zinc/11/15/81/965111581.db2.gz ZDHRCVIBRBKMKK-LBPRGKRZSA-N 1 2 258.325 1.208 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C1(COC)CCC1 ZINC001442688346 965176944 /nfs/dbraw/zinc/17/69/44/965176944.db2.gz FPYOLHJAIWWBLY-UHFFFAOYSA-N 1 2 288.819 1.994 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C1(COC)CCC1 ZINC001442688346 965176948 /nfs/dbraw/zinc/17/69/48/965176948.db2.gz FPYOLHJAIWWBLY-UHFFFAOYSA-N 1 2 288.819 1.994 20 30 CDEDLO C[C@H](CC(=O)[C@H](C#N)c1ccncn1)n1cc[nH+]c1 ZINC001347230157 965429502 /nfs/dbraw/zinc/42/95/02/965429502.db2.gz DUCHGIHJOABVPB-GHMZBOCLSA-N 1 2 255.281 1.501 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCCC(=O)NC ZINC001445713832 966300967 /nfs/dbraw/zinc/30/09/67/966300967.db2.gz SWZWBBAXKKMZAS-NSHDSACASA-N 1 2 289.807 1.092 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCCC(=O)NC ZINC001445713832 966300977 /nfs/dbraw/zinc/30/09/77/966300977.db2.gz SWZWBBAXKKMZAS-NSHDSACASA-N 1 2 289.807 1.092 20 30 CDEDLO C#CCOc1ccccc1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000847497560 967567797 /nfs/dbraw/zinc/56/77/97/967567797.db2.gz IVLFSVPVGOOINR-CYBMUJFWSA-N 1 2 297.358 1.917 20 30 CDEDLO C#CCOc1ccccc1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000847497560 967567802 /nfs/dbraw/zinc/56/78/02/967567802.db2.gz IVLFSVPVGOOINR-CYBMUJFWSA-N 1 2 297.358 1.917 20 30 CDEDLO CC#CCCCC(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001100272066 967848008 /nfs/dbraw/zinc/84/80/08/967848008.db2.gz CMOXYNTUPWDHTJ-UHFFFAOYSA-N 1 2 274.368 1.531 20 30 CDEDLO CC#CC[NH2+]C1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001100348123 968081028 /nfs/dbraw/zinc/08/10/28/968081028.db2.gz WWTILRAYUCRVCS-UDNWOFFPSA-N 1 2 280.265 1.395 20 30 CDEDLO CC#CC[NH2+]C1CC(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001100348123 968081037 /nfs/dbraw/zinc/08/10/37/968081037.db2.gz WWTILRAYUCRVCS-UDNWOFFPSA-N 1 2 280.265 1.395 20 30 CDEDLO CC[C@H](C)[N@@H+](CC(=O)OC)C[C@@H](O)c1cccc(C#N)c1 ZINC001460031647 969469216 /nfs/dbraw/zinc/46/92/16/969469216.db2.gz QAKRCXJVJFVDRB-SWLSCSKDSA-N 1 2 290.363 1.865 20 30 CDEDLO CC[C@H](C)[N@H+](CC(=O)OC)C[C@@H](O)c1cccc(C#N)c1 ZINC001460031647 969469219 /nfs/dbraw/zinc/46/92/19/969469219.db2.gz QAKRCXJVJFVDRB-SWLSCSKDSA-N 1 2 290.363 1.865 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CC1CCOCC1 ZINC001372288493 972898689 /nfs/dbraw/zinc/89/86/89/972898689.db2.gz MZNSVRJDESXXOM-UHFFFAOYSA-N 1 2 288.819 1.994 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CC1CCOCC1 ZINC001372288493 972898694 /nfs/dbraw/zinc/89/86/94/972898694.db2.gz MZNSVRJDESXXOM-UHFFFAOYSA-N 1 2 288.819 1.994 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cnc2n1CCC2 ZINC001496717995 973061903 /nfs/dbraw/zinc/06/19/03/973061903.db2.gz GYQLGVWSAKLEMR-UHFFFAOYSA-N 1 2 296.802 1.586 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cnc2n1CCC2 ZINC001496717995 973061922 /nfs/dbraw/zinc/06/19/22/973061922.db2.gz GYQLGVWSAKLEMR-UHFFFAOYSA-N 1 2 296.802 1.586 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)Cc2ccn(CC)n2)C1 ZINC001373507176 973474399 /nfs/dbraw/zinc/47/43/99/973474399.db2.gz CBKJPDHSPVCOOT-UHFFFAOYSA-N 1 2 296.802 1.246 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(CC)n[nH]1 ZINC001498232130 973764716 /nfs/dbraw/zinc/76/47/16/973764716.db2.gz KSNOXVZJFWOECL-JTQLQIEISA-N 1 2 284.791 1.775 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc(CC)n[nH]1 ZINC001498232130 973764726 /nfs/dbraw/zinc/76/47/26/973764726.db2.gz KSNOXVZJFWOECL-JTQLQIEISA-N 1 2 284.791 1.775 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cn(C)nc1C ZINC001498250137 973781402 /nfs/dbraw/zinc/78/14/02/973781402.db2.gz RCSFNCWLMICAAK-JTQLQIEISA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cn(C)nc1C ZINC001498250137 973781408 /nfs/dbraw/zinc/78/14/08/973781408.db2.gz RCSFNCWLMICAAK-JTQLQIEISA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1c(C)nn(C)c1C ZINC001418485677 973887002 /nfs/dbraw/zinc/88/70/02/973887002.db2.gz XLEZRCNAWWZTLB-UHFFFAOYSA-N 1 2 284.791 1.451 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1c(C)nn(C)c1C ZINC001418485677 973887012 /nfs/dbraw/zinc/88/70/12/973887012.db2.gz XLEZRCNAWWZTLB-UHFFFAOYSA-N 1 2 284.791 1.451 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2ncc(Cl)s2)CC1 ZINC001375404041 974370039 /nfs/dbraw/zinc/37/00/39/974370039.db2.gz PJRFFSQLLWOPOL-QMMMGPOBSA-N 1 2 298.799 1.695 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC(F)(F)F)C1 ZINC001376124978 974572477 /nfs/dbraw/zinc/57/24/77/974572477.db2.gz XMAYTRWSONXMRK-MRVPVSSYSA-N 1 2 270.682 1.882 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC(F)(F)F)C1 ZINC001376124978 974572483 /nfs/dbraw/zinc/57/24/83/974572483.db2.gz XMAYTRWSONXMRK-MRVPVSSYSA-N 1 2 270.682 1.882 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1coc(C(N)=O)c1 ZINC001379719024 976025936 /nfs/dbraw/zinc/02/59/36/976025936.db2.gz XZVSEVLRYOFVKB-VIFPVBQESA-N 1 2 299.758 1.181 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1coc(C(N)=O)c1 ZINC001379719024 976025950 /nfs/dbraw/zinc/02/59/50/976025950.db2.gz XZVSEVLRYOFVKB-VIFPVBQESA-N 1 2 299.758 1.181 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cnc(C)nc1C ZINC001406141646 976060075 /nfs/dbraw/zinc/06/00/75/976060075.db2.gz AFXBOUCFHRDPSI-UHFFFAOYSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cnc(C)nc1C ZINC001406141646 976060087 /nfs/dbraw/zinc/06/00/87/976060087.db2.gz AFXBOUCFHRDPSI-UHFFFAOYSA-N 1 2 296.802 1.850 20 30 CDEDLO CC[C@H](OC)C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001390744127 976477943 /nfs/dbraw/zinc/47/79/43/976477943.db2.gz WRAZQWCARDULCH-HNNXBMFYSA-N 1 2 289.379 1.531 20 30 CDEDLO CC[C@H](OC)C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001390744127 976477951 /nfs/dbraw/zinc/47/79/51/976477951.db2.gz WRAZQWCARDULCH-HNNXBMFYSA-N 1 2 289.379 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@]1(C)CCOC1 ZINC001391007675 976644909 /nfs/dbraw/zinc/64/49/09/976644909.db2.gz XLXSOFDXXOGWPG-CYBMUJFWSA-N 1 2 274.792 1.604 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@]1(C)CCOC1 ZINC001391007675 976644915 /nfs/dbraw/zinc/64/49/15/976644915.db2.gz XLXSOFDXXOGWPG-CYBMUJFWSA-N 1 2 274.792 1.604 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cc(C)no1 ZINC001403099151 976708241 /nfs/dbraw/zinc/70/82/41/976708241.db2.gz PNDFOGGCGVEEHH-SNVBAGLBSA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cc(C)no1 ZINC001403099151 976708252 /nfs/dbraw/zinc/70/82/52/976708252.db2.gz PNDFOGGCGVEEHH-SNVBAGLBSA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1nn(C)cc1C ZINC001381513864 976883486 /nfs/dbraw/zinc/88/34/86/976883486.db2.gz FZIIXDIFSJNGBI-NSHDSACASA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1nn(C)cc1C ZINC001381513864 976883493 /nfs/dbraw/zinc/88/34/93/976883493.db2.gz FZIIXDIFSJNGBI-NSHDSACASA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC(C)(C)O)[C@@H]1C ZINC001382326683 977250808 /nfs/dbraw/zinc/25/08/08/977250808.db2.gz CINGYPPVGWUJHF-RYUDHWBXSA-N 1 2 288.819 1.869 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC(C)(C)O)[C@@H]1C ZINC001382326683 977250820 /nfs/dbraw/zinc/25/08/20/977250820.db2.gz CINGYPPVGWUJHF-RYUDHWBXSA-N 1 2 288.819 1.869 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[NH2+]Cc1nn(C)cc1Cl ZINC001133381195 1163665110 /nfs/dbraw/zinc/66/51/10/1163665110.db2.gz YITLLYMMRINHIQ-AWEZNQCLSA-N 1 2 298.818 1.882 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2ccc(C#N)cc2Cl)C1 ZINC000092056312 1174354416 /nfs/dbraw/zinc/35/44/16/1174354416.db2.gz GOTAYSIJVQXWNU-LLVKDONJSA-N 1 2 266.728 1.921 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2ccc(C#N)cc2Cl)C1 ZINC000092056312 1174354420 /nfs/dbraw/zinc/35/44/20/1174354420.db2.gz GOTAYSIJVQXWNU-LLVKDONJSA-N 1 2 266.728 1.921 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2c[nH]nn2)C1 ZINC001575066707 1171102675 /nfs/dbraw/zinc/10/26/75/1171102675.db2.gz VZJOEBXGZMKAFR-XYPYZODXSA-N 1 2 277.372 1.001 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cn[nH]n2)C1 ZINC001575066707 1171102681 /nfs/dbraw/zinc/10/26/81/1171102681.db2.gz VZJOEBXGZMKAFR-XYPYZODXSA-N 1 2 277.372 1.001 20 30 CDEDLO C[C@@H](C#N)CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000182503762 342451340 /nfs/dbraw/zinc/45/13/40/342451340.db2.gz KNWCTXVTCWADAC-ZDUSSCGKSA-N 1 2 297.362 1.890 20 30 CDEDLO C[C@@H]1CCN(C(=O)c2cccc(C#N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000589450855 342505913 /nfs/dbraw/zinc/50/59/13/342505913.db2.gz QNBJJGPPWIWSRZ-DOMZBBRYSA-N 1 2 295.346 1.873 20 30 CDEDLO C=CCCOCC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616868474 342568262 /nfs/dbraw/zinc/56/82/62/342568262.db2.gz OSQDKHLYTIPCTL-ZDUSSCGKSA-N 1 2 295.383 1.189 20 30 CDEDLO CCC(C#N)(CC)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000599250049 343988909 /nfs/dbraw/zinc/98/89/09/343988909.db2.gz INPWNEHDZLKXLG-GFCCVEGCSA-N 1 2 267.373 1.153 20 30 CDEDLO CCC(C#N)(CC)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000599250049 343988911 /nfs/dbraw/zinc/98/89/11/343988911.db2.gz INPWNEHDZLKXLG-GFCCVEGCSA-N 1 2 267.373 1.153 20 30 CDEDLO Cc1nnc(N2CCc3[nH+]c[nH]c3C2)c(C#N)c1C ZINC000590567512 342576208 /nfs/dbraw/zinc/57/62/08/342576208.db2.gz LPBKVEPCQUBFCZ-UHFFFAOYSA-N 1 2 254.297 1.251 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000168537891 342073864 /nfs/dbraw/zinc/07/38/64/342073864.db2.gz NFXFUZPJOSDJFR-AWEZNQCLSA-N 1 2 285.347 1.373 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000168537891 342073865 /nfs/dbraw/zinc/07/38/65/342073865.db2.gz NFXFUZPJOSDJFR-AWEZNQCLSA-N 1 2 285.347 1.373 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)nc1 ZINC000609345823 342103542 /nfs/dbraw/zinc/10/35/42/342103542.db2.gz ODNFUVKLTQYOKB-CYBMUJFWSA-N 1 2 281.319 1.627 20 30 CDEDLO CC(C)(C#N)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000611688407 346851185 /nfs/dbraw/zinc/85/11/85/346851185.db2.gz IHYSPXYQLDXKRE-AWEZNQCLSA-N 1 2 286.379 1.712 20 30 CDEDLO CC(C)(C#N)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000611688407 346851189 /nfs/dbraw/zinc/85/11/89/346851189.db2.gz IHYSPXYQLDXKRE-AWEZNQCLSA-N 1 2 286.379 1.712 20 30 CDEDLO CO/N=C/c1ccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000058297149 342152701 /nfs/dbraw/zinc/15/27/01/342152701.db2.gz APZRPPFPGWNMSU-UDPFGDFPSA-N 1 2 286.335 1.682 20 30 CDEDLO CC[C@H]1COC(C)(C)C[N@@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000593057716 342760196 /nfs/dbraw/zinc/76/01/96/342760196.db2.gz WRBXCBGAIAAUOB-BBRMVZONSA-N 1 2 295.427 1.930 20 30 CDEDLO CC[C@H]1COC(C)(C)C[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000593057716 342760197 /nfs/dbraw/zinc/76/01/97/342760197.db2.gz WRBXCBGAIAAUOB-BBRMVZONSA-N 1 2 295.427 1.930 20 30 CDEDLO CC[C@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)[C@@H](C)CO1 ZINC000593061119 342760908 /nfs/dbraw/zinc/76/09/08/342760908.db2.gz IJNOUDFBQIMLJD-RYUDHWBXSA-N 1 2 265.357 1.048 20 30 CDEDLO CC[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)[C@@H](C)CO1 ZINC000593061119 342760910 /nfs/dbraw/zinc/76/09/10/342760910.db2.gz IJNOUDFBQIMLJD-RYUDHWBXSA-N 1 2 265.357 1.048 20 30 CDEDLO C[C@H](CC(=O)N[C@@]1(C#N)CCSC1)n1cc[nH+]c1 ZINC000593096791 342765827 /nfs/dbraw/zinc/76/58/27/342765827.db2.gz ZGHXHLSNAQYRQR-ZYHUDNBSSA-N 1 2 264.354 1.350 20 30 CDEDLO C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C1CCCC1 ZINC000593154456 342774034 /nfs/dbraw/zinc/77/40/34/342774034.db2.gz SMTKIPUZNVZGNY-BXUZGUMPSA-N 1 2 251.374 1.773 20 30 CDEDLO CC[C@H](C#N)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000593397399 342795037 /nfs/dbraw/zinc/79/50/37/342795037.db2.gz NQYLKFQKWKTEGL-GFCCVEGCSA-N 1 2 288.351 1.084 20 30 CDEDLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)c1cccc(C#N)c1 ZINC000588627620 342217245 /nfs/dbraw/zinc/21/72/45/342217245.db2.gz BNXNKFDKZZFLFF-LLVKDONJSA-N 1 2 268.320 1.712 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(C(F)F)nc1 ZINC000594024175 342867401 /nfs/dbraw/zinc/86/74/01/342867401.db2.gz FABNEWSZOBZKLE-CYBMUJFWSA-N 1 2 282.294 1.593 20 30 CDEDLO O=C(CCc1c[nH+]c[nH]1)NCC#Cc1ccccc1 ZINC000352449608 539096373 /nfs/dbraw/zinc/09/63/73/539096373.db2.gz BIGNJZWTCDDXCW-UHFFFAOYSA-N 1 2 253.305 1.510 20 30 CDEDLO O=C(CCc1c[nH]c[nH+]1)NCC#Cc1ccccc1 ZINC000352449608 539096374 /nfs/dbraw/zinc/09/63/74/539096374.db2.gz BIGNJZWTCDDXCW-UHFFFAOYSA-N 1 2 253.305 1.510 20 30 CDEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](CC)C(N)=O ZINC000352814955 539096888 /nfs/dbraw/zinc/09/68/88/539096888.db2.gz KMMKOBAOZLZKMK-ZDUSSCGKSA-N 1 2 266.341 1.414 20 30 CDEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](CC)C(N)=O ZINC000352814955 539096889 /nfs/dbraw/zinc/09/68/89/539096889.db2.gz KMMKOBAOZLZKMK-ZDUSSCGKSA-N 1 2 266.341 1.414 20 30 CDEDLO N#CC[C@H]1CCCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000594687605 342941486 /nfs/dbraw/zinc/94/14/86/342941486.db2.gz VEWOVIULMGFNME-CYBMUJFWSA-N 1 2 275.356 1.608 20 30 CDEDLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000157142438 362004073 /nfs/dbraw/zinc/00/40/73/362004073.db2.gz UUWFCOZHKUNJHK-IUODEOHRSA-N 1 2 279.767 1.773 20 30 CDEDLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000157142438 362004079 /nfs/dbraw/zinc/00/40/79/362004079.db2.gz UUWFCOZHKUNJHK-IUODEOHRSA-N 1 2 279.767 1.773 20 30 CDEDLO CC[N@H+](CCc1nnn(C(C)(C)C)n1)C[C@H](C)C#N ZINC000595307564 343031718 /nfs/dbraw/zinc/03/17/18/343031718.db2.gz VOTRAABFGYVBAW-LLVKDONJSA-N 1 2 264.377 1.452 20 30 CDEDLO CC[N@@H+](CCc1nnn(C(C)(C)C)n1)C[C@H](C)C#N ZINC000595307564 343031719 /nfs/dbraw/zinc/03/17/19/343031719.db2.gz VOTRAABFGYVBAW-LLVKDONJSA-N 1 2 264.377 1.452 20 30 CDEDLO COc1cc(C[NH+]2CCN(CCC#N)CC2)sn1 ZINC000595391048 343053452 /nfs/dbraw/zinc/05/34/52/343053452.db2.gz CTHFFGLMRWRIJJ-UHFFFAOYSA-N 1 2 266.370 1.183 20 30 CDEDLO C[N@H+](CC(C)(C)C#N)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000595500044 343078023 /nfs/dbraw/zinc/07/80/23/343078023.db2.gz HSLKYSZTQAPJKP-RWMBFGLXSA-N 1 2 263.385 1.915 20 30 CDEDLO C[N@@H+](CC(C)(C)C#N)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000595500044 343078025 /nfs/dbraw/zinc/07/80/25/343078025.db2.gz HSLKYSZTQAPJKP-RWMBFGLXSA-N 1 2 263.385 1.915 20 30 CDEDLO CN(CC[NH+]1CCOCC1)c1c(C#N)nnc2ccccc21 ZINC000077215915 342328434 /nfs/dbraw/zinc/32/84/34/342328434.db2.gz GZPVADPNXWKPJB-UHFFFAOYSA-N 1 2 297.362 1.270 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC2(CCCC2=O)CC1 ZINC000595821562 343166657 /nfs/dbraw/zinc/16/66/57/343166657.db2.gz YTYJWSUPMDZTPV-LLVKDONJSA-N 1 2 251.326 1.549 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1nc([C@@H](C)SCC)no1 ZINC000595864110 343175472 /nfs/dbraw/zinc/17/54/72/343175472.db2.gz QJHCPVBBKDBDPL-RKDXNWHRSA-N 1 2 257.359 1.520 20 30 CDEDLO Cc1[nH+]ccc(NS(=O)(=O)c2ccc(C#N)o2)c1Cl ZINC000588944762 342360660 /nfs/dbraw/zinc/36/06/60/342360660.db2.gz NFXOMPHMDYDXPB-UHFFFAOYSA-N 1 2 297.723 1.731 20 30 CDEDLO CCc1nc(C#N)cc(N(C)CCCn2cc[nH+]c2)n1 ZINC000596165253 343257240 /nfs/dbraw/zinc/25/72/40/343257240.db2.gz JNGRSNFTEIBXMK-UHFFFAOYSA-N 1 2 270.340 1.634 20 30 CDEDLO Cc1ccnc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c1C#N ZINC000596426451 343311918 /nfs/dbraw/zinc/31/19/18/343311918.db2.gz ABEKLNDXKIZBGL-QWHCGFSZSA-N 1 2 274.368 1.783 20 30 CDEDLO Cc1ccnc(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1C#N ZINC000596426451 343311920 /nfs/dbraw/zinc/31/19/20/343311920.db2.gz ABEKLNDXKIZBGL-QWHCGFSZSA-N 1 2 274.368 1.783 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000139926088 342444540 /nfs/dbraw/zinc/44/45/40/342444540.db2.gz ZHBKTHJQFVCBGB-AWEZNQCLSA-N 1 2 275.327 1.750 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000139926088 342444541 /nfs/dbraw/zinc/44/45/41/342444541.db2.gz ZHBKTHJQFVCBGB-AWEZNQCLSA-N 1 2 275.327 1.750 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCCC[C@@H]2CNC(C)=O)nn1 ZINC000626158908 342449966 /nfs/dbraw/zinc/44/99/66/342449966.db2.gz CQIHRMITOIJJOD-OAHLLOKOSA-N 1 2 291.399 1.345 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCCC[C@@H]2CNC(C)=O)nn1 ZINC000626158908 342449967 /nfs/dbraw/zinc/44/99/67/342449967.db2.gz CQIHRMITOIJJOD-OAHLLOKOSA-N 1 2 291.399 1.345 20 30 CDEDLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000597855453 343646896 /nfs/dbraw/zinc/64/68/96/343646896.db2.gz CEBDOGPVKJNZIL-CQSZACIVSA-N 1 2 293.330 1.622 20 30 CDEDLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000597855453 343646897 /nfs/dbraw/zinc/64/68/97/343646897.db2.gz CEBDOGPVKJNZIL-CQSZACIVSA-N 1 2 293.330 1.622 20 30 CDEDLO N#Cc1ccc2c(c1)CCN2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000597771807 343630777 /nfs/dbraw/zinc/63/07/77/343630777.db2.gz HPTZPZLOIXBFOP-AWEZNQCLSA-N 1 2 292.342 1.906 20 30 CDEDLO CC(C)(C#N)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000598343065 343771545 /nfs/dbraw/zinc/77/15/45/343771545.db2.gz QGJMNZYSAWWWNZ-UHFFFAOYSA-N 1 2 279.384 1.107 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](C(C)(C)C(=O)OC)C1 ZINC000619720201 349870234 /nfs/dbraw/zinc/87/02/34/349870234.db2.gz OFXPKBUAMCYZPY-RYUDHWBXSA-N 1 2 283.368 1.625 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](C(C)(C)C(=O)OC)C1 ZINC000619720201 349870238 /nfs/dbraw/zinc/87/02/38/349870238.db2.gz OFXPKBUAMCYZPY-RYUDHWBXSA-N 1 2 283.368 1.625 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(c2cc(C)[nH]n2)CC1 ZINC000619720166 349870694 /nfs/dbraw/zinc/87/06/94/349870694.db2.gz JXIXUAITGNGYRD-ZDUSSCGKSA-N 1 2 263.341 1.625 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(c2cc(C)n[nH]2)CC1 ZINC000619720166 349870696 /nfs/dbraw/zinc/87/06/96/349870696.db2.gz JXIXUAITGNGYRD-ZDUSSCGKSA-N 1 2 263.341 1.625 20 30 CDEDLO C[C@H](C#N)N(C(=O)[C@@H]1OCC[C@@H]1Cn1cc[nH+]c1)C1CC1 ZINC000598770801 343901538 /nfs/dbraw/zinc/90/15/38/343901538.db2.gz PZHSTBBLHJDMLP-YRGRVCCFSA-N 1 2 288.351 1.191 20 30 CDEDLO Cc1cc(NCc2cc3n(n2)CCCO3)c(C#N)c[nH+]1 ZINC000599108301 343955732 /nfs/dbraw/zinc/95/57/32/343955732.db2.gz MNFIGATYXMPCMV-UHFFFAOYSA-N 1 2 269.308 1.275 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000085826057 344161929 /nfs/dbraw/zinc/16/19/29/344161929.db2.gz NGKUISGTXAZPNS-RISCZKNCSA-N 1 2 277.372 1.284 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000085826057 344161931 /nfs/dbraw/zinc/16/19/31/344161931.db2.gz NGKUISGTXAZPNS-RISCZKNCSA-N 1 2 277.372 1.284 20 30 CDEDLO COC(=O)[C@@H](C)[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602645923 344513962 /nfs/dbraw/zinc/51/39/62/344513962.db2.gz VEPVGLOPVOWREN-GHMZBOCLSA-N 1 2 254.330 1.236 20 30 CDEDLO COc1cc(F)cc(OC)c1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000602696301 344543457 /nfs/dbraw/zinc/54/34/57/344543457.db2.gz KZAAVIHWUJMNMX-OAHLLOKOSA-N 1 2 294.326 1.693 20 30 CDEDLO COc1cc(F)cc(OC)c1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000602696301 344543458 /nfs/dbraw/zinc/54/34/58/344543458.db2.gz KZAAVIHWUJMNMX-OAHLLOKOSA-N 1 2 294.326 1.693 20 30 CDEDLO CCOC(=O)[C@@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CCCOC1 ZINC000602804398 344592549 /nfs/dbraw/zinc/59/25/49/344592549.db2.gz FGZNLWWYGATSCL-OLZOCXBDSA-N 1 2 280.368 1.628 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)NC1CCC(C)CC1 ZINC000602863318 344624955 /nfs/dbraw/zinc/62/49/55/344624955.db2.gz OMRFPJFFRRHVHA-CMOBGSAGSA-N 1 2 251.374 1.962 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000602864586 344637916 /nfs/dbraw/zinc/63/79/16/344637916.db2.gz STMBNGCYVSIBBD-NSHDSACASA-N 1 2 256.309 1.066 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000603187590 344728247 /nfs/dbraw/zinc/72/82/47/344728247.db2.gz XHSIVPNAIAUWSX-UHFFFAOYSA-N 1 2 285.307 1.348 20 30 CDEDLO N#CC1(Cn2cc[nH+]c2CN2CCOCC2)CCC1 ZINC000603420733 344799765 /nfs/dbraw/zinc/79/97/65/344799765.db2.gz OQOFJXNFJLZCOD-UHFFFAOYSA-N 1 2 260.341 1.409 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N(C)[C@@H](C)c1ccccc1OC ZINC000072906471 345381760 /nfs/dbraw/zinc/38/17/60/345381760.db2.gz LNFXZWSJILBPJO-HNNXBMFYSA-N 1 2 298.386 1.783 20 30 CDEDLO C#CCCN1CC[NH+](Cc2ccc(C(=O)NC)cc2)CC1 ZINC000127418341 187305098 /nfs/dbraw/zinc/30/50/98/187305098.db2.gz UPPQEIFDYWHCKY-UHFFFAOYSA-N 1 2 285.391 1.187 20 30 CDEDLO C=C[C@@](C)(O)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000617478636 345564957 /nfs/dbraw/zinc/56/49/57/345564957.db2.gz OMCHKCPMDVEJEI-OAHLLOKOSA-N 1 2 275.352 1.235 20 30 CDEDLO C=CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H](C)COC ZINC000617583414 345868893 /nfs/dbraw/zinc/86/88/93/345868893.db2.gz IESXKELYCRDSJX-YNEHKIRRSA-N 1 2 277.368 1.573 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC(C)(C)OCC1(C)C ZINC000609671479 345988305 /nfs/dbraw/zinc/98/83/05/345988305.db2.gz BGEJJOHUWUPEFM-INIZCTEOSA-N 1 2 295.427 1.930 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC(C)(C)OCC1(C)C ZINC000609671479 345988306 /nfs/dbraw/zinc/98/83/06/345988306.db2.gz BGEJJOHUWUPEFM-INIZCTEOSA-N 1 2 295.427 1.930 20 30 CDEDLO C=C(C)[C@H](CC(=O)N[C@H]1CCn2c[nH+]cc2C1)OCC ZINC000623306460 346025681 /nfs/dbraw/zinc/02/56/81/346025681.db2.gz OCNHMGUCRNFIAF-JSGCOSHPSA-N 1 2 277.368 1.685 20 30 CDEDLO CCC[C@@H](C(=O)OCC)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000610133222 346208586 /nfs/dbraw/zinc/20/85/86/346208586.db2.gz QZKXCGXLQCDIRA-GJZGRUSLSA-N 1 2 295.427 1.884 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cn[nH]c1 ZINC000610487205 346292250 /nfs/dbraw/zinc/29/22/50/346292250.db2.gz AFSKCPIMXDVHQE-LLVKDONJSA-N 1 2 283.335 1.740 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cn[nH]c1 ZINC000610487205 346292252 /nfs/dbraw/zinc/29/22/52/346292252.db2.gz AFSKCPIMXDVHQE-LLVKDONJSA-N 1 2 283.335 1.740 20 30 CDEDLO CCN(C[C@@H](C)C#N)c1cc(-n2cc[nH+]c2)ncn1 ZINC000610566779 346315679 /nfs/dbraw/zinc/31/56/79/346315679.db2.gz MPZPQQRWZLQASK-NSHDSACASA-N 1 2 256.313 1.648 20 30 CDEDLO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCN(CCC#N)CC1 ZINC000611174907 346628150 /nfs/dbraw/zinc/62/81/50/346628150.db2.gz PEBDZNOUIHSEFL-CQSZACIVSA-N 1 2 292.427 1.355 20 30 CDEDLO Cc1nc(N2CCN([C@H](C#N)C(C)C)CC2)cc[nH+]1 ZINC000611413163 346779826 /nfs/dbraw/zinc/77/98/26/346779826.db2.gz WCZWTTSDFYNSEE-CYBMUJFWSA-N 1 2 259.357 1.455 20 30 CDEDLO N#Cc1cc(CN2CC[NH+](Cc3cccnc3)CC2)ccn1 ZINC000611348887 346755229 /nfs/dbraw/zinc/75/52/29/346755229.db2.gz RKOLLMVVEPXGFG-UHFFFAOYSA-N 1 2 293.374 1.666 20 30 CDEDLO N#Cc1cc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)c[nH]1 ZINC000611513535 346802870 /nfs/dbraw/zinc/80/28/70/346802870.db2.gz PYFJBSVJOAJIJO-UHFFFAOYSA-N 1 2 268.276 1.185 20 30 CDEDLO C=C[C@@H](O)C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000612529528 347200848 /nfs/dbraw/zinc/20/08/48/347200848.db2.gz GFSLQZGVGKUYQT-CQSZACIVSA-N 1 2 278.327 1.017 20 30 CDEDLO N#Cc1ccc(N2CCC(n3cc[nH+]c3)CC2)nc1 ZINC000060296312 347420855 /nfs/dbraw/zinc/42/08/55/347420855.db2.gz IXDMXMKUVMYOBG-UHFFFAOYSA-N 1 2 253.309 1.991 20 30 CDEDLO CCOc1ccc(OC[C@@H](O)C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000066470539 347488574 /nfs/dbraw/zinc/48/85/74/347488574.db2.gz KKHSGRKGFLJPPE-KBPBESRZSA-N 1 2 292.379 1.916 20 30 CDEDLO CCOc1ccc(OC[C@@H](O)C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000066470539 347488577 /nfs/dbraw/zinc/48/85/77/347488577.db2.gz KKHSGRKGFLJPPE-KBPBESRZSA-N 1 2 292.379 1.916 20 30 CDEDLO COc1cccc(CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)C#N)c1 ZINC000066469381 347488900 /nfs/dbraw/zinc/48/89/00/347488900.db2.gz DGROVULDNQJLIW-STQMWFEESA-N 1 2 289.379 1.791 20 30 CDEDLO COc1cccc(CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000066469381 347488906 /nfs/dbraw/zinc/48/89/06/347488906.db2.gz DGROVULDNQJLIW-STQMWFEESA-N 1 2 289.379 1.791 20 30 CDEDLO C#C[C@@H](CC)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000491192022 347579366 /nfs/dbraw/zinc/57/93/66/347579366.db2.gz KGZRWKWXROIDJT-AWEZNQCLSA-N 1 2 286.379 1.321 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc2c(c1)ncn2C ZINC000491640541 347585067 /nfs/dbraw/zinc/58/50/67/347585067.db2.gz YUPZBJDCJWEPAY-CYBMUJFWSA-N 1 2 255.321 1.407 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc2c(c1)ncn2C ZINC000491640541 347585070 /nfs/dbraw/zinc/58/50/70/347585070.db2.gz YUPZBJDCJWEPAY-CYBMUJFWSA-N 1 2 255.321 1.407 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCOc2ccccc2C1 ZINC000613564369 347783645 /nfs/dbraw/zinc/78/36/45/347783645.db2.gz AQLUPUTYLLVMOY-GFCCVEGCSA-N 1 2 260.337 1.572 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCOc2ccccc2C1 ZINC000613564369 347783646 /nfs/dbraw/zinc/78/36/46/347783646.db2.gz AQLUPUTYLLVMOY-GFCCVEGCSA-N 1 2 260.337 1.572 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(OC)cc2OC)CC1 ZINC000055926770 347857339 /nfs/dbraw/zinc/85/73/39/347857339.db2.gz NPAMIFJZXNIEFQ-UHFFFAOYSA-N 1 2 288.347 1.095 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000619717774 348186298 /nfs/dbraw/zinc/18/62/98/348186298.db2.gz IQWSRDLBKHCPRT-RYUDHWBXSA-N 1 2 290.367 1.131 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000619717774 348186300 /nfs/dbraw/zinc/18/63/00/348186300.db2.gz IQWSRDLBKHCPRT-RYUDHWBXSA-N 1 2 290.367 1.131 20 30 CDEDLO Cc1ncc([C@@H](C)[NH+]2CCN(CC#N)CC2)c(C)n1 ZINC000614962822 348287166 /nfs/dbraw/zinc/28/71/66/348287166.db2.gz JBGCCRQTIIQKEL-GFCCVEGCSA-N 1 2 259.357 1.296 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc2cncnc2c1 ZINC000414154977 362924937 /nfs/dbraw/zinc/92/49/37/362924937.db2.gz UOSYRTLQBKWCMT-ZDUSSCGKSA-N 1 2 286.335 1.215 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc2cncnc2c1 ZINC000414154977 362924940 /nfs/dbraw/zinc/92/49/40/362924940.db2.gz UOSYRTLQBKWCMT-ZDUSSCGKSA-N 1 2 286.335 1.215 20 30 CDEDLO COc1cc(OC)cc(OC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000414119199 362926546 /nfs/dbraw/zinc/92/65/46/362926546.db2.gz CKIWVJOPYSZCLH-GFCCVEGCSA-N 1 2 294.351 1.289 20 30 CDEDLO COc1cc(OC)cc(OC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414119199 362926549 /nfs/dbraw/zinc/92/65/49/362926549.db2.gz CKIWVJOPYSZCLH-GFCCVEGCSA-N 1 2 294.351 1.289 20 30 CDEDLO C=CCNC(=O)[C@@H](C)Sc1[nH+]cnc2c1cnn2C ZINC000011685495 348518266 /nfs/dbraw/zinc/51/82/66/348518266.db2.gz UBZWQGYALHHKAI-MRVPVSSYSA-N 1 2 277.353 1.146 20 30 CDEDLO N#CC1(C(=O)N2CC[NH+](Cc3cccnc3)CC2)CCCC1 ZINC000066312661 348979661 /nfs/dbraw/zinc/97/96/61/348979661.db2.gz IQGPIXJRAYZRHU-UHFFFAOYSA-N 1 2 298.390 1.810 20 30 CDEDLO CC[N@@H+](CC(=O)NCc1ccc(OC)cc1)C[C@@H](C)C#N ZINC000066424498 348984507 /nfs/dbraw/zinc/98/45/07/348984507.db2.gz JFSXMIWZTYYGAM-ZDUSSCGKSA-N 1 2 289.379 1.793 20 30 CDEDLO CC[N@H+](CC(=O)NCc1ccc(OC)cc1)C[C@@H](C)C#N ZINC000066424498 348984510 /nfs/dbraw/zinc/98/45/10/348984510.db2.gz JFSXMIWZTYYGAM-ZDUSSCGKSA-N 1 2 289.379 1.793 20 30 CDEDLO Cn1cc(C[NH+]2CC(C)(O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000602687776 350140933 /nfs/dbraw/zinc/14/09/33/350140933.db2.gz BRIBTOLBXMALNC-UHFFFAOYSA-N 1 2 282.347 1.525 20 30 CDEDLO Cc1cc(NC(=O)NCCCCn2cc[nH+]c2)ncc1C#N ZINC000603119503 350198216 /nfs/dbraw/zinc/19/82/16/350198216.db2.gz YQSGIKKPYSYOFX-UHFFFAOYSA-N 1 2 298.350 1.482 20 30 CDEDLO CCc1nc(C#N)cc(N(C)Cc2[nH+]ccn2C)n1 ZINC000308166391 350432889 /nfs/dbraw/zinc/43/28/89/350432889.db2.gz JRILGASCXRRILG-UHFFFAOYSA-N 1 2 256.313 1.281 20 30 CDEDLO Cc1nnc(N[C@H](C)C[NH+]2CCN(C)CC2)c(C#N)c1C ZINC000106483399 186119521 /nfs/dbraw/zinc/11/95/21/186119521.db2.gz NSXQSKCLSLKGDF-LLVKDONJSA-N 1 2 288.399 1.013 20 30 CDEDLO N#CC1(CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000569722224 362994293 /nfs/dbraw/zinc/99/42/93/362994293.db2.gz PBVCWWYBWJHVCY-UHFFFAOYSA-N 1 2 296.334 1.752 20 30 CDEDLO N#CC1CC[NH+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000142109476 358471662 /nfs/dbraw/zinc/47/16/62/358471662.db2.gz YLMUARNRHKLJNN-UHFFFAOYSA-N 1 2 275.327 1.677 20 30 CDEDLO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000292187770 198195666 /nfs/dbraw/zinc/19/56/66/198195666.db2.gz KZVVJFCCJGOBAY-LBPRGKRZSA-N 1 2 296.367 1.564 20 30 CDEDLO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000292187770 198195668 /nfs/dbraw/zinc/19/56/68/198195668.db2.gz KZVVJFCCJGOBAY-LBPRGKRZSA-N 1 2 296.367 1.564 20 30 CDEDLO C=CCCCS(=O)(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000292631873 198357131 /nfs/dbraw/zinc/35/71/31/198357131.db2.gz PDJUBTNIPYYRMI-CYBMUJFWSA-N 1 2 295.408 1.546 20 30 CDEDLO C=CCCCS(=O)(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000292631876 198357559 /nfs/dbraw/zinc/35/75/59/198357559.db2.gz PDJUBTNIPYYRMI-ZDUSSCGKSA-N 1 2 295.408 1.546 20 30 CDEDLO CC[C@H]1C[N@H+](CCNC(=O)[C@](C)(C#N)CC)CCO1 ZINC000355563759 366116561 /nfs/dbraw/zinc/11/65/61/366116561.db2.gz HASARZBOLMTKAH-JSGCOSHPSA-N 1 2 267.373 1.153 20 30 CDEDLO CC[C@H]1C[N@@H+](CCNC(=O)[C@](C)(C#N)CC)CCO1 ZINC000355563759 366116566 /nfs/dbraw/zinc/11/65/66/366116566.db2.gz HASARZBOLMTKAH-JSGCOSHPSA-N 1 2 267.373 1.153 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)o1 ZINC000342871426 356373709 /nfs/dbraw/zinc/37/37/09/356373709.db2.gz FZIZFHONJAQOPC-ZDUSSCGKSA-N 1 2 283.287 1.840 20 30 CDEDLO COc1ncc(C[NH+]2CCC(F)(C#N)CC2)c(C)n1 ZINC000352458527 363500857 /nfs/dbraw/zinc/50/08/57/363500857.db2.gz LLLHWNDMHLEJHG-UHFFFAOYSA-N 1 2 264.304 1.621 20 30 CDEDLO CC(=O)N1CC[N@H+](Cc2ccc(C#N)cn2)[C@H](C)C1 ZINC000578450475 356656705 /nfs/dbraw/zinc/65/67/05/356656705.db2.gz BVURGJTXHDIVHK-LLVKDONJSA-N 1 2 258.325 1.006 20 30 CDEDLO CC(=O)N1CC[N@@H+](Cc2ccc(C#N)cn2)[C@H](C)C1 ZINC000578450475 356656708 /nfs/dbraw/zinc/65/67/08/356656708.db2.gz BVURGJTXHDIVHK-LLVKDONJSA-N 1 2 258.325 1.006 20 30 CDEDLO N#C[C@@]1(NC(=O)C=Cc2c[nH]c[nH+]2)CCc2ccccc2C1 ZINC000493396360 366336616 /nfs/dbraw/zinc/33/66/16/366336616.db2.gz FZGLIVNJUCODKG-FUTAKVPZSA-N 1 2 292.342 1.990 20 30 CDEDLO Cc1cccc(/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000493422902 366356291 /nfs/dbraw/zinc/35/62/91/366356291.db2.gz QNWPPGCFSYQTNH-HLRDLLSLSA-N 1 2 271.364 1.968 20 30 CDEDLO Cc1cc(SCC(=O)N2CC[NH+](C)CC2)ccc1C#N ZINC000335470143 357916969 /nfs/dbraw/zinc/91/69/69/357916969.db2.gz NINWTOYKIVVHBQ-UHFFFAOYSA-N 1 2 289.404 1.733 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000566567095 358109145 /nfs/dbraw/zinc/10/91/45/358109145.db2.gz KDGPDXTXIIHDCI-UHFFFAOYSA-N 1 2 257.297 1.583 20 30 CDEDLO N#CCCCCNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000192304104 358188021 /nfs/dbraw/zinc/18/80/21/358188021.db2.gz UXURUSIRCQTAMJ-CYBMUJFWSA-N 1 2 289.383 1.934 20 30 CDEDLO N#CCCCCNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000192304104 358188022 /nfs/dbraw/zinc/18/80/22/358188022.db2.gz UXURUSIRCQTAMJ-CYBMUJFWSA-N 1 2 289.383 1.934 20 30 CDEDLO N#Cc1ccnc(NCc2cc[nH+]c(N3CCCC3)c2)n1 ZINC000296205125 358533851 /nfs/dbraw/zinc/53/38/51/358533851.db2.gz CIBWPCXKZJTVJD-UHFFFAOYSA-N 1 2 280.335 1.956 20 30 CDEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCOC[C@H]2C2CCC2)c1 ZINC000567046493 358622570 /nfs/dbraw/zinc/62/25/70/358622570.db2.gz DOOXGNVWJZOUQP-INIZCTEOSA-N 1 2 299.374 1.998 20 30 CDEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCOC[C@H]2C2CCC2)c1 ZINC000567046493 358622574 /nfs/dbraw/zinc/62/25/74/358622574.db2.gz DOOXGNVWJZOUQP-INIZCTEOSA-N 1 2 299.374 1.998 20 30 CDEDLO C=CCN(CCc1ccco1)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000637089069 359184589 /nfs/dbraw/zinc/18/45/89/359184589.db2.gz FFCXAGASKWEWPT-HNNXBMFYSA-N 1 2 292.379 1.557 20 30 CDEDLO C=CCN(CCc1ccco1)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000637089069 359184593 /nfs/dbraw/zinc/18/45/93/359184593.db2.gz FFCXAGASKWEWPT-HNNXBMFYSA-N 1 2 292.379 1.557 20 30 CDEDLO C#Cc1cccc(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)c1 ZINC000264666772 359312671 /nfs/dbraw/zinc/31/26/71/359312671.db2.gz SPZGIBKZKYPYGW-OAHLLOKOSA-N 1 2 286.379 1.035 20 30 CDEDLO C#Cc1cccc(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)c1 ZINC000264666772 359312676 /nfs/dbraw/zinc/31/26/76/359312676.db2.gz SPZGIBKZKYPYGW-OAHLLOKOSA-N 1 2 286.379 1.035 20 30 CDEDLO C=CC[N@H+]([C@H]1CCS(=O)(=O)C1)[C@@H]1C=CCCC1 ZINC000264587440 359312750 /nfs/dbraw/zinc/31/27/50/359312750.db2.gz XVOJEDHNFZIDJG-OLZOCXBDSA-N 1 2 255.383 1.770 20 30 CDEDLO C=CC[N@@H+]([C@H]1CCS(=O)(=O)C1)[C@@H]1C=CCCC1 ZINC000264587440 359312755 /nfs/dbraw/zinc/31/27/55/359312755.db2.gz XVOJEDHNFZIDJG-OLZOCXBDSA-N 1 2 255.383 1.770 20 30 CDEDLO C=C1CC[NH+](CC(=O)N[C@H](C(=O)OC)[C@H](C)CC)CC1 ZINC000264520364 359312874 /nfs/dbraw/zinc/31/28/74/359312874.db2.gz ZXLZKDMNEJUTTR-OCCSQVGLSA-N 1 2 282.384 1.342 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@H+](CCO)C2CC2)c1C ZINC000267179553 359349549 /nfs/dbraw/zinc/34/95/49/359349549.db2.gz BIVNZHQRKPVBKI-UHFFFAOYSA-N 1 2 276.380 1.930 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](CCO)C2CC2)c1C ZINC000267179553 359349555 /nfs/dbraw/zinc/34/95/55/359349555.db2.gz BIVNZHQRKPVBKI-UHFFFAOYSA-N 1 2 276.380 1.930 20 30 CDEDLO C#CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000270692330 359408024 /nfs/dbraw/zinc/40/80/24/359408024.db2.gz GCNRIYYPFBNDEM-QGZVFWFLSA-N 1 2 299.418 1.457 20 30 CDEDLO C=CCC[C@H](O)C[NH2+][C@@H](C(=O)OCC)[C@H]1CCCOC1 ZINC000347577048 359446315 /nfs/dbraw/zinc/44/63/15/359446315.db2.gz BUBWMYLHCPIGOE-MELADBBJSA-N 1 2 285.384 1.261 20 30 CDEDLO C=CCOCCCc1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000272634247 359461949 /nfs/dbraw/zinc/46/19/49/359461949.db2.gz KWQBQWZKTMFSMN-ZDUSSCGKSA-N 1 2 295.383 1.987 20 30 CDEDLO C=CCOCCCc1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000272634247 359461950 /nfs/dbraw/zinc/46/19/50/359461950.db2.gz KWQBQWZKTMFSMN-ZDUSSCGKSA-N 1 2 295.383 1.987 20 30 CDEDLO C#CC[N@@H+](CC(=O)NC1(C(=O)OC)CCCCC1)C1CC1 ZINC000274012519 359489582 /nfs/dbraw/zinc/48/95/82/359489582.db2.gz AWEPWGIJRMFNKO-UHFFFAOYSA-N 1 2 292.379 1.076 20 30 CDEDLO C#CC[N@H+](CC(=O)NC1(C(=O)OC)CCCCC1)C1CC1 ZINC000274012519 359489585 /nfs/dbraw/zinc/48/95/85/359489585.db2.gz AWEPWGIJRMFNKO-UHFFFAOYSA-N 1 2 292.379 1.076 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCC[C@]1(CCC)C(=O)OCC ZINC000277893484 359575424 /nfs/dbraw/zinc/57/54/24/359575424.db2.gz WCBGAUKJHQPDSK-OAHLLOKOSA-N 1 2 282.384 1.486 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCC[C@]1(CCC)C(=O)OCC ZINC000277893484 359575430 /nfs/dbraw/zinc/57/54/30/359575430.db2.gz WCBGAUKJHQPDSK-OAHLLOKOSA-N 1 2 282.384 1.486 20 30 CDEDLO C#CCn1ccc(CN(CC)Cc2cc(OC)cc[nH+]2)n1 ZINC000279768560 359594280 /nfs/dbraw/zinc/59/42/80/359594280.db2.gz SLCUBDNNUBXDED-UHFFFAOYSA-N 1 2 284.363 1.942 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2cn(C(C)C)nn2)CC1 ZINC000348285546 359960250 /nfs/dbraw/zinc/96/02/50/359960250.db2.gz RLHRQIHBRWDSRV-UHFFFAOYSA-N 1 2 277.372 1.611 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCN(C)[C@@H](C(C)C)C2)C1=O ZINC000337212247 360041411 /nfs/dbraw/zinc/04/14/11/360041411.db2.gz VHZKGVLBXHWZEQ-UONOGXRCSA-N 1 2 265.401 1.045 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCN(C)[C@@H](C(C)C)C2)C1=O ZINC000337212247 360041419 /nfs/dbraw/zinc/04/14/19/360041419.db2.gz VHZKGVLBXHWZEQ-UONOGXRCSA-N 1 2 265.401 1.045 20 30 CDEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000348553074 360396328 /nfs/dbraw/zinc/39/63/28/360396328.db2.gz MHMWAJSWCXOZRF-GXTWGEPZSA-N 1 2 264.373 1.665 20 30 CDEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000348553074 360396329 /nfs/dbraw/zinc/39/63/29/360396329.db2.gz MHMWAJSWCXOZRF-GXTWGEPZSA-N 1 2 264.373 1.665 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178355722 189109827 /nfs/dbraw/zinc/10/98/27/189109827.db2.gz MWZSCCJFFNJYKW-LBPRGKRZSA-N 1 2 273.336 1.932 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@@H](c1ccccc1)c1cncnc1 ZINC000349800566 360945619 /nfs/dbraw/zinc/94/56/19/360945619.db2.gz MZKRKZHYCRBBOV-INIZCTEOSA-N 1 2 282.347 1.458 20 30 CDEDLO N#Cc1ccc(C[NH2+]Cc2nnc3n2CCC3)cc1 ZINC000340472958 360996538 /nfs/dbraw/zinc/99/65/38/360996538.db2.gz QJZPOUHYFHESSZ-UHFFFAOYSA-N 1 2 253.309 1.386 20 30 CDEDLO CC(C)(C#N)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000130872985 361014949 /nfs/dbraw/zinc/01/49/49/361014949.db2.gz GWZBYKXGVIFEHJ-UHFFFAOYSA-N 1 2 287.363 1.586 20 30 CDEDLO CCn1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cn1 ZINC000179986147 189231080 /nfs/dbraw/zinc/23/10/80/189231080.db2.gz ZKWXPLNJNJDFRB-UHFFFAOYSA-N 1 2 296.378 1.492 20 30 CDEDLO C[N@H+](CCCC#N)Cc1ccccc1S(N)(=O)=O ZINC000432983572 361202643 /nfs/dbraw/zinc/20/26/43/361202643.db2.gz JPRWXUAKXGSTOQ-UHFFFAOYSA-N 1 2 267.354 1.070 20 30 CDEDLO C[N@@H+](CCCC#N)Cc1ccccc1S(N)(=O)=O ZINC000432983572 361202644 /nfs/dbraw/zinc/20/26/44/361202644.db2.gz JPRWXUAKXGSTOQ-UHFFFAOYSA-N 1 2 267.354 1.070 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433311940 361232675 /nfs/dbraw/zinc/23/26/75/361232675.db2.gz JLSINTZICFIFQN-UHFFFAOYSA-N 1 2 250.346 1.230 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433311940 361232678 /nfs/dbraw/zinc/23/26/78/361232678.db2.gz JLSINTZICFIFQN-UHFFFAOYSA-N 1 2 250.346 1.230 20 30 CDEDLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)cc1C#N ZINC000191718638 361268904 /nfs/dbraw/zinc/26/89/04/361268904.db2.gz ITPBNKRZWAZYLR-BXUZGUMPSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)cc1C#N ZINC000191718638 361268909 /nfs/dbraw/zinc/26/89/09/361268909.db2.gz ITPBNKRZWAZYLR-BXUZGUMPSA-N 1 2 276.336 1.148 20 30 CDEDLO CCOC(=O)C[N@@H+]1CCCN(c2cc(C#N)ccn2)CC1 ZINC000367325790 361297374 /nfs/dbraw/zinc/29/73/74/361297374.db2.gz GAFFLOPQCFUSBP-UHFFFAOYSA-N 1 2 288.351 1.028 20 30 CDEDLO CCOC(=O)C[N@H+]1CCCN(c2cc(C#N)ccn2)CC1 ZINC000367325790 361297380 /nfs/dbraw/zinc/29/73/80/361297380.db2.gz GAFFLOPQCFUSBP-UHFFFAOYSA-N 1 2 288.351 1.028 20 30 CDEDLO CCOc1ccccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000435534327 361411641 /nfs/dbraw/zinc/41/16/41/361411641.db2.gz MKDMJTRAMIMCGM-ZDUSSCGKSA-N 1 2 278.352 1.670 20 30 CDEDLO CCOc1ccccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000435534327 361411643 /nfs/dbraw/zinc/41/16/43/361411643.db2.gz MKDMJTRAMIMCGM-ZDUSSCGKSA-N 1 2 278.352 1.670 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)Nc2cccc3c2OCO3)C1 ZINC000329347029 361485178 /nfs/dbraw/zinc/48/51/78/361485178.db2.gz VJXRNLJHCNXLHQ-SNVBAGLBSA-N 1 2 293.323 1.072 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)Nc2cccc3c2OCO3)C1 ZINC000329347029 361485186 /nfs/dbraw/zinc/48/51/86/361485186.db2.gz VJXRNLJHCNXLHQ-SNVBAGLBSA-N 1 2 293.323 1.072 20 30 CDEDLO O=C(NCCC1CC(O)C1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329350751 361487261 /nfs/dbraw/zinc/48/72/61/361487261.db2.gz TXBPRPGVNTUAMJ-PESDSKBTSA-N 1 2 296.411 1.747 20 30 CDEDLO O=C(NCCC1CC(O)C1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329350751 361487263 /nfs/dbraw/zinc/48/72/63/361487263.db2.gz TXBPRPGVNTUAMJ-PESDSKBTSA-N 1 2 296.411 1.747 20 30 CDEDLO C=CC[C@@H](C)NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000159172913 361560501 /nfs/dbraw/zinc/56/05/01/361560501.db2.gz BPEFMTZFHDPQIJ-CQSZACIVSA-N 1 2 288.395 1.873 20 30 CDEDLO CCc1nsc(N2CC[NH+]([C@@H](C)CCC#N)CC2)n1 ZINC000351420770 361671728 /nfs/dbraw/zinc/67/17/28/361671728.db2.gz RLCQLBVYCSKWGD-NSHDSACASA-N 1 2 279.413 1.915 20 30 CDEDLO Cc1cccc(CCC(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000570635672 363838594 /nfs/dbraw/zinc/83/85/94/363838594.db2.gz RIVRVCDHGFJLAT-MRXNPFEDSA-N 1 2 273.380 1.888 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1Cl ZINC000042328800 363919256 /nfs/dbraw/zinc/91/92/56/363919256.db2.gz XTXIAYBPYZQPBB-NSHDSACASA-N 1 2 264.756 1.910 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1Cl ZINC000042328800 363919267 /nfs/dbraw/zinc/91/92/67/363919267.db2.gz XTXIAYBPYZQPBB-NSHDSACASA-N 1 2 264.756 1.910 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000161958715 364562268 /nfs/dbraw/zinc/56/22/68/364562268.db2.gz RVMPQAUALZOJDH-GFCCVEGCSA-N 1 2 295.408 1.671 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000161958715 364562274 /nfs/dbraw/zinc/56/22/74/364562274.db2.gz RVMPQAUALZOJDH-GFCCVEGCSA-N 1 2 295.408 1.671 20 30 CDEDLO Fc1ccc(C#CC[NH+]2CCN(c3nc[nH]n3)CC2)cc1 ZINC000639732172 364538182 /nfs/dbraw/zinc/53/81/82/364538182.db2.gz CXYYASAOFZEBOO-UHFFFAOYSA-N 1 2 285.326 1.118 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2nnc(-c3ccco3)o2)nn1 ZINC000640793994 364648281 /nfs/dbraw/zinc/64/82/81/364648281.db2.gz DUWQLEUKVVURIX-UHFFFAOYSA-N 1 2 298.306 1.082 20 30 CDEDLO C=CCON=C(N)C[NH+]1CCN(c2ccccc2)CC1 ZINC000165328925 364858130 /nfs/dbraw/zinc/85/81/30/364858130.db2.gz OAISXLUZLBZUFL-UHFFFAOYSA-N 1 2 274.368 1.283 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)Nc1cc(F)cc(F)c1 ZINC000491298670 364938335 /nfs/dbraw/zinc/93/83/35/364938335.db2.gz WRWIYAVGIDWUDJ-AWEZNQCLSA-N 1 2 294.301 1.627 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)Nc1cc(F)cc(F)c1 ZINC000491298670 364938341 /nfs/dbraw/zinc/93/83/41/364938341.db2.gz WRWIYAVGIDWUDJ-AWEZNQCLSA-N 1 2 294.301 1.627 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1ccc(N(C)CC)nc1 ZINC000491315719 364955890 /nfs/dbraw/zinc/95/58/90/364955890.db2.gz PUPJXTKTCWELJJ-UHFFFAOYSA-N 1 2 255.365 1.996 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(N(C)CC)nc1 ZINC000491315719 364955900 /nfs/dbraw/zinc/95/59/00/364955900.db2.gz PUPJXTKTCWELJJ-UHFFFAOYSA-N 1 2 255.365 1.996 20 30 CDEDLO CCN(CC)c1ccc(CNC(=O)[C@H](C)C#N)c[nH+]1 ZINC000357830116 367239577 /nfs/dbraw/zinc/23/95/77/367239577.db2.gz PCJCNMVUQVWOHI-LLVKDONJSA-N 1 2 260.341 1.704 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000358509352 367736683 /nfs/dbraw/zinc/73/66/83/367736683.db2.gz PZLBXMODEAFIPS-QWHCGFSZSA-N 1 2 251.374 1.725 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000358509352 367736685 /nfs/dbraw/zinc/73/66/85/367736685.db2.gz PZLBXMODEAFIPS-QWHCGFSZSA-N 1 2 251.374 1.725 20 30 CDEDLO C[C@@H](C[S@](C)=O)[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000126086427 368282142 /nfs/dbraw/zinc/28/21/42/368282142.db2.gz KRGVYURGURYFSR-PRWKNARSSA-N 1 2 293.392 1.196 20 30 CDEDLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000126086427 368282145 /nfs/dbraw/zinc/28/21/45/368282145.db2.gz KRGVYURGURYFSR-PRWKNARSSA-N 1 2 293.392 1.196 20 30 CDEDLO C=CCOc1ccc(C[N@H+]2CCN(C)C(=O)C2)cc1 ZINC000127308914 368354843 /nfs/dbraw/zinc/35/48/43/368354843.db2.gz SMBVECKKNDXYSF-UHFFFAOYSA-N 1 2 260.337 1.525 20 30 CDEDLO C=CCOc1ccc(C[N@@H+]2CCN(C)C(=O)C2)cc1 ZINC000127308914 368354845 /nfs/dbraw/zinc/35/48/45/368354845.db2.gz SMBVECKKNDXYSF-UHFFFAOYSA-N 1 2 260.337 1.525 20 30 CDEDLO C[C@H](C#N)CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000541947430 368708737 /nfs/dbraw/zinc/70/87/37/368708737.db2.gz DZVMXWWKWLEGLB-LLVKDONJSA-N 1 2 261.329 1.389 20 30 CDEDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)s1 ZINC000545396162 369215236 /nfs/dbraw/zinc/21/52/36/369215236.db2.gz ZHFHWWOFZHXVCI-OQPBUACISA-N 1 2 293.396 1.306 20 30 CDEDLO C=C1CC(C)(C(=O)N2CCC[N@@H+](CC(=O)NCC)CC2)C1 ZINC000630720416 369910804 /nfs/dbraw/zinc/91/08/04/369910804.db2.gz OYAIJDDUGAXKHM-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO C=C1CC(C)(C(=O)N2CCC[N@H+](CC(=O)NCC)CC2)C1 ZINC000630720416 369910807 /nfs/dbraw/zinc/91/08/07/369910807.db2.gz OYAIJDDUGAXKHM-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1cccc(F)c1F ZINC000568516929 371226255 /nfs/dbraw/zinc/22/62/55/371226255.db2.gz TVILMECENKQVCM-OAHLLOKOSA-N 1 2 295.333 1.857 20 30 CDEDLO COc1ccc(CN2CC[C@H]([NH2+]CCC#N)C2=O)cc1 ZINC000568873055 371233238 /nfs/dbraw/zinc/23/32/38/371233238.db2.gz JMQZAIIFRCDLPM-AWEZNQCLSA-N 1 2 273.336 1.299 20 30 CDEDLO Cc1nnc(SCc2c[nH+]cn2C)c(C#N)c1C ZINC000272867605 372209898 /nfs/dbraw/zinc/20/98/98/372209898.db2.gz WCHDYKAPLNMKPH-UHFFFAOYSA-N 1 2 259.338 1.991 20 30 CDEDLO COC(=O)[C@H]1CCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000050049476 372235119 /nfs/dbraw/zinc/23/51/19/372235119.db2.gz UXPJZSHSBWWBDC-CQSZACIVSA-N 1 2 274.320 1.574 20 30 CDEDLO COC(=O)[C@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000050049476 372235126 /nfs/dbraw/zinc/23/51/26/372235126.db2.gz UXPJZSHSBWWBDC-CQSZACIVSA-N 1 2 274.320 1.574 20 30 CDEDLO Cc1sc(NC(=O)C[N@H+](CCO)C2CC2)c(C#N)c1C ZINC000050104075 372339297 /nfs/dbraw/zinc/33/92/97/372339297.db2.gz DUUCMRLJPLIWTQ-UHFFFAOYSA-N 1 2 293.392 1.632 20 30 CDEDLO Cc1sc(NC(=O)C[N@@H+](CCO)C2CC2)c(C#N)c1C ZINC000050104075 372339303 /nfs/dbraw/zinc/33/93/03/372339303.db2.gz DUUCMRLJPLIWTQ-UHFFFAOYSA-N 1 2 293.392 1.632 20 30 CDEDLO CC(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000178783407 372982697 /nfs/dbraw/zinc/98/26/97/372982697.db2.gz COQZYUSVFYSMOQ-UHFFFAOYSA-N 1 2 274.339 1.731 20 30 CDEDLO CC(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000178783407 372982703 /nfs/dbraw/zinc/98/27/03/372982703.db2.gz COQZYUSVFYSMOQ-UHFFFAOYSA-N 1 2 274.339 1.731 20 30 CDEDLO CC1(C)COCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000348859543 373718487 /nfs/dbraw/zinc/71/84/87/373718487.db2.gz QJPPYOGCOSDHAI-UHFFFAOYSA-N 1 2 287.363 1.285 20 30 CDEDLO CC1(C)COCC[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000348859543 373718494 /nfs/dbraw/zinc/71/84/94/373718494.db2.gz QJPPYOGCOSDHAI-UHFFFAOYSA-N 1 2 287.363 1.285 20 30 CDEDLO C[C@H](C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)c1cccc(C#N)c1 ZINC000360378345 374010674 /nfs/dbraw/zinc/01/06/74/374010674.db2.gz QFNZTQGBZURYJB-RCBQFDQVSA-N 1 2 299.374 1.203 20 30 CDEDLO C[C@H](C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)c1cccc(C#N)c1 ZINC000360378345 374010684 /nfs/dbraw/zinc/01/06/84/374010684.db2.gz QFNZTQGBZURYJB-RCBQFDQVSA-N 1 2 299.374 1.203 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000274106898 374111854 /nfs/dbraw/zinc/11/18/54/374111854.db2.gz YVPPRQCJIRXFLC-OAHLLOKOSA-N 1 2 284.363 1.594 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000274106898 374111862 /nfs/dbraw/zinc/11/18/62/374111862.db2.gz YVPPRQCJIRXFLC-OAHLLOKOSA-N 1 2 284.363 1.594 20 30 CDEDLO N#Cc1ccc(CNC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000350783923 374115323 /nfs/dbraw/zinc/11/53/23/374115323.db2.gz BQRKAQPMQNJWGW-UHFFFAOYSA-N 1 2 254.293 1.530 20 30 CDEDLO C[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)[C@@H]1CO ZINC000305459510 374095902 /nfs/dbraw/zinc/09/59/02/374095902.db2.gz UYNDRCJBDISZQG-ZYHUDNBSSA-N 1 2 293.392 1.651 20 30 CDEDLO C[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)[C@@H]1CO ZINC000305459510 374095911 /nfs/dbraw/zinc/09/59/11/374095911.db2.gz UYNDRCJBDISZQG-ZYHUDNBSSA-N 1 2 293.392 1.651 20 30 CDEDLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000112671608 374227437 /nfs/dbraw/zinc/22/74/37/374227437.db2.gz YVIRONQBIJUWEQ-NSHDSACASA-N 1 2 262.284 1.692 20 30 CDEDLO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000112671608 374227442 /nfs/dbraw/zinc/22/74/42/374227442.db2.gz YVIRONQBIJUWEQ-NSHDSACASA-N 1 2 262.284 1.692 20 30 CDEDLO N#Cc1cccnc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC000351668866 374259484 /nfs/dbraw/zinc/25/94/84/374259484.db2.gz BWXQLBWXZQZVSV-UHFFFAOYSA-N 1 2 281.319 1.928 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)CCCC ZINC000884048330 784289546 /nfs/dbraw/zinc/28/95/46/784289546.db2.gz HQLYIVDLSJINRR-NSHDSACASA-N 1 2 256.346 1.082 20 30 CDEDLO CCC#C[C@@H](C)[N@@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000640159976 374528965 /nfs/dbraw/zinc/52/89/65/374528965.db2.gz BBRWLZDBLBRRID-GFCCVEGCSA-N 1 2 292.404 1.494 20 30 CDEDLO CCC#C[C@@H](C)[N@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000640159976 374528969 /nfs/dbraw/zinc/52/89/69/374528969.db2.gz BBRWLZDBLBRRID-GFCCVEGCSA-N 1 2 292.404 1.494 20 30 CDEDLO COC(=O)CCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000378319471 374640118 /nfs/dbraw/zinc/64/01/18/374640118.db2.gz ZTSBAEAGESHSHO-HNNXBMFYSA-N 1 2 288.347 1.885 20 30 CDEDLO COC(=O)CCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000378319471 374640125 /nfs/dbraw/zinc/64/01/25/374640125.db2.gz ZTSBAEAGESHSHO-HNNXBMFYSA-N 1 2 288.347 1.885 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CC[S@](=O)C1 ZINC000277368867 374784650 /nfs/dbraw/zinc/78/46/50/374784650.db2.gz FOWIGTBEGWXQRZ-XIKOKIGWSA-N 1 2 262.378 1.759 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[S@](=O)C1 ZINC000277368867 374784655 /nfs/dbraw/zinc/78/46/55/374784655.db2.gz FOWIGTBEGWXQRZ-XIKOKIGWSA-N 1 2 262.378 1.759 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000019797716 374789788 /nfs/dbraw/zinc/78/97/88/374789788.db2.gz WVGJONSPBKOGFI-MRXNPFEDSA-N 1 2 299.374 1.381 20 30 CDEDLO N#Cc1cccc(NCC2([NH+]3CCOCC3)CC2)n1 ZINC000277476328 374790128 /nfs/dbraw/zinc/79/01/28/374790128.db2.gz QLBAEIIXGVPEAZ-UHFFFAOYSA-N 1 2 258.325 1.230 20 30 CDEDLO C[C@H](CN1CCOCC1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC000279715531 374952401 /nfs/dbraw/zinc/95/24/01/374952401.db2.gz KXCQMNHWIOHMKY-CYBMUJFWSA-N 1 2 291.370 1.850 20 30 CDEDLO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000279715531 374952404 /nfs/dbraw/zinc/95/24/04/374952404.db2.gz KXCQMNHWIOHMKY-CYBMUJFWSA-N 1 2 291.370 1.850 20 30 CDEDLO N#Cc1ncn(CC(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)n1 ZINC000426443225 247025719 /nfs/dbraw/zinc/02/57/19/247025719.db2.gz NUQTXGLDBMGORC-UHFFFAOYSA-N 1 2 293.290 1.179 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)COc1ccsc1 ZINC000328659976 375911762 /nfs/dbraw/zinc/91/17/62/375911762.db2.gz UNTVMKDFPZFJTM-LLVKDONJSA-N 1 2 284.381 1.804 20 30 CDEDLO CC1(C)C[N@H+](CCNC(=O)[C@@H]2CCC(=O)NC2)CCO1 ZINC000328638336 375903891 /nfs/dbraw/zinc/90/38/91/375903891.db2.gz BIWZOMZRYXOJPW-LLVKDONJSA-N 1 2 283.372 1.420 20 30 CDEDLO CC1(C)C[N@@H+](CCNC(=O)[C@@H]2CCC(=O)NC2)CCO1 ZINC000328638336 375903896 /nfs/dbraw/zinc/90/38/96/375903896.db2.gz BIWZOMZRYXOJPW-LLVKDONJSA-N 1 2 283.372 1.420 20 30 CDEDLO C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)O1 ZINC000328649181 375908153 /nfs/dbraw/zinc/90/81/53/375908153.db2.gz INYJXGZOFLTZNX-SRRSOLGSSA-N 1 2 263.341 1.968 20 30 CDEDLO C[C@@H]1CC(=O)N[C@H](C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000328794610 375973865 /nfs/dbraw/zinc/97/38/65/375973865.db2.gz BNJNCZKEPSCGRJ-RYUDHWBXSA-N 1 2 297.399 1.809 20 30 CDEDLO C[C@@H]1CC(=O)N[C@H](C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000328794610 375973868 /nfs/dbraw/zinc/97/38/68/375973868.db2.gz BNJNCZKEPSCGRJ-RYUDHWBXSA-N 1 2 297.399 1.809 20 30 CDEDLO [O-]C(NCCC1(O)CCC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000328870794 375994771 /nfs/dbraw/zinc/99/47/71/375994771.db2.gz IEDIVOBWEPLYDC-NSHDSACASA-N 1 2 278.356 1.007 20 30 CDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]CCC1(O)CCC1 ZINC000328870794 375994778 /nfs/dbraw/zinc/99/47/78/375994778.db2.gz IEDIVOBWEPLYDC-NSHDSACASA-N 1 2 278.356 1.007 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](Cc1ccc(F)cc1)C(=O)OC ZINC000419252473 376116289 /nfs/dbraw/zinc/11/62/89/376116289.db2.gz VKEQGBAWJKFROU-KFWWJZLASA-N 1 2 293.338 1.843 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000330466970 376139539 /nfs/dbraw/zinc/13/95/39/376139539.db2.gz XPMNBPRRXQZSFY-JHJVBQTASA-N 1 2 267.373 1.294 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000330466970 376139546 /nfs/dbraw/zinc/13/95/46/376139546.db2.gz XPMNBPRRXQZSFY-JHJVBQTASA-N 1 2 267.373 1.294 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)NC[C@H](C)CO)cc2n1C ZINC000331046991 376481173 /nfs/dbraw/zinc/48/11/73/376481173.db2.gz GCUHTBCWAZVKQD-VIFPVBQESA-N 1 2 261.325 1.815 20 30 CDEDLO N#Cc1ncn(Cc2[nH+]ccn2-c2ccccc2)n1 ZINC000434643832 248124648 /nfs/dbraw/zinc/12/46/48/248124648.db2.gz SESSTJIBMXDSGD-UHFFFAOYSA-N 1 2 250.265 1.384 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247350980 377100725 /nfs/dbraw/zinc/10/07/25/377100725.db2.gz OAEUSTVWHGHREM-CABCVRRESA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247350980 377100730 /nfs/dbraw/zinc/10/07/30/377100730.db2.gz OAEUSTVWHGHREM-CABCVRRESA-N 1 2 296.411 1.291 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cc(=O)n2cccc(C)c2n1 ZINC000072906886 377204843 /nfs/dbraw/zinc/20/48/43/377204843.db2.gz UOGZVLCPPZBEMZ-UHFFFAOYSA-N 1 2 265.316 1.071 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290006550 377736630 /nfs/dbraw/zinc/73/66/30/377736630.db2.gz UDTDKTABTRSELU-NSHDSACASA-N 1 2 268.748 1.086 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290006550 377736640 /nfs/dbraw/zinc/73/66/40/377736640.db2.gz UDTDKTABTRSELU-NSHDSACASA-N 1 2 268.748 1.086 20 30 CDEDLO N#CCN1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255679982 377832571 /nfs/dbraw/zinc/83/25/71/377832571.db2.gz UVZVIWNAPCLUBE-HYXAFXHYSA-N 1 2 286.335 1.749 20 30 CDEDLO C=C(C)CS(=O)(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000280561390 377967758 /nfs/dbraw/zinc/96/77/58/377967758.db2.gz KJSQONOQTHMPFD-UHFFFAOYSA-N 1 2 279.365 1.638 20 30 CDEDLO C#CC[N@@H+](C)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000192238308 378177891 /nfs/dbraw/zinc/17/78/91/378177891.db2.gz VTOGRUWRRJSWQU-UHFFFAOYSA-N 1 2 282.365 1.129 20 30 CDEDLO C#CC[N@H+](C)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000192238308 378177895 /nfs/dbraw/zinc/17/78/95/378177895.db2.gz VTOGRUWRRJSWQU-UHFFFAOYSA-N 1 2 282.365 1.129 20 30 CDEDLO C#CCOc1ccc(C(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000290876876 378414610 /nfs/dbraw/zinc/41/46/10/378414610.db2.gz DDOWLXDEGKVKLN-UHFFFAOYSA-N 1 2 281.315 1.551 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000295416852 378673209 /nfs/dbraw/zinc/67/32/09/378673209.db2.gz LRSHZWOXKNKGPK-DZGCQCFKSA-N 1 2 297.358 1.996 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000278540738 194033540 /nfs/dbraw/zinc/03/35/40/194033540.db2.gz FYIZUVXXYJPGAO-MRXNPFEDSA-N 1 2 289.379 1.053 20 30 CDEDLO N#CC1(CN2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000343637905 378941508 /nfs/dbraw/zinc/94/15/08/378941508.db2.gz ZAPUAUJHIGKDGH-UHFFFAOYSA-N 1 2 256.353 1.503 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000662160907 412910750 /nfs/dbraw/zinc/91/07/50/412910750.db2.gz JMSCAYSIMSSNID-RNCFNFMXSA-N 1 2 284.306 1.279 20 30 CDEDLO CCN1CC[NH+]([C@H](C)CNc2ccc(C#N)cn2)CC1 ZINC000059389409 379670344 /nfs/dbraw/zinc/67/03/44/379670344.db2.gz NIPQRDTUNBIAGK-CYBMUJFWSA-N 1 2 273.384 1.391 20 30 CDEDLO CC(C)Cn1cc[nH+]c1CNc1nccc(C#N)n1 ZINC000450350539 251239035 /nfs/dbraw/zinc/23/90/35/251239035.db2.gz RJFQMYCYRHVKAY-UHFFFAOYSA-N 1 2 256.313 1.813 20 30 CDEDLO C#C[C@H](Nc1[nH+]cnc2c1cnn2-c1ncccn1)C(C)C ZINC000281078074 195094198 /nfs/dbraw/zinc/09/41/98/195094198.db2.gz UERISHTZBRNLEZ-LBPRGKRZSA-N 1 2 293.334 1.675 20 30 CDEDLO C#C[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C(C)C ZINC000281122727 195112233 /nfs/dbraw/zinc/11/22/33/195112233.db2.gz SJYMTISOBWQAAV-ZDUSSCGKSA-N 1 2 274.368 1.957 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(CC)s2)C1=O ZINC000281122130 195112256 /nfs/dbraw/zinc/11/22/56/195112256.db2.gz CDIGPTFDKFFOMM-LBPRGKRZSA-N 1 2 279.409 1.924 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(CC)s2)C1=O ZINC000281122130 195112258 /nfs/dbraw/zinc/11/22/58/195112258.db2.gz CDIGPTFDKFFOMM-LBPRGKRZSA-N 1 2 279.409 1.924 20 30 CDEDLO C#CCN(C)C(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000191080242 533091426 /nfs/dbraw/zinc/09/14/26/533091426.db2.gz GGGAFCWKOZJPMP-UHFFFAOYSA-N 1 2 255.321 1.690 20 30 CDEDLO C=CCN1CC[C@@H]([NH2+][C@H](CO)c2c(F)cccc2F)C1=O ZINC000281258524 195171115 /nfs/dbraw/zinc/17/11/15/195171115.db2.gz HGULOXUNVQRVDG-CHWSQXEVSA-N 1 2 296.317 1.375 20 30 CDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC(C)(C)C#N ZINC000355074419 227372714 /nfs/dbraw/zinc/37/27/14/227372714.db2.gz CQBCIQMVPSXWAF-STQMWFEESA-N 1 2 294.399 1.041 20 30 CDEDLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000186950756 390158987 /nfs/dbraw/zinc/15/89/87/390158987.db2.gz CRUGIGRFSFUSJJ-GFCCVEGCSA-N 1 2 273.336 1.100 20 30 CDEDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000186950756 390158988 /nfs/dbraw/zinc/15/89/88/390158988.db2.gz CRUGIGRFSFUSJJ-GFCCVEGCSA-N 1 2 273.336 1.100 20 30 CDEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000134962556 390939627 /nfs/dbraw/zinc/93/96/27/390939627.db2.gz HDFBXAXXBQKRCO-CQSZACIVSA-N 1 2 298.390 1.981 20 30 CDEDLO NC(CCO)=[NH+]OCc1ccccc1OC(F)F ZINC000136072381 390940946 /nfs/dbraw/zinc/94/09/46/390940946.db2.gz ZIGNHYZFMFSYMJ-UHFFFAOYSA-N 1 2 260.240 1.459 20 30 CDEDLO Cc1c(CO[NH+]=C(N)CCO)cccc1[N+](=O)[O-] ZINC000136065669 390940957 /nfs/dbraw/zinc/94/09/57/390940957.db2.gz DLKAUSWFNOEQGH-UHFFFAOYSA-N 1 2 253.258 1.074 20 30 CDEDLO C#CC[N@@H+](C)Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000192232832 390946421 /nfs/dbraw/zinc/94/64/21/390946421.db2.gz DSVBRSPQGVBAAU-UHFFFAOYSA-N 1 2 287.319 1.819 20 30 CDEDLO C#CC[N@H+](C)Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000192232832 390946422 /nfs/dbraw/zinc/94/64/22/390946422.db2.gz DSVBRSPQGVBAAU-UHFFFAOYSA-N 1 2 287.319 1.819 20 30 CDEDLO O=C(NCC[NH+]1CCOCC1)c1cccnc1C1CC1 ZINC000329577176 391018513 /nfs/dbraw/zinc/01/85/13/391018513.db2.gz SQCHSFMZQHACEK-UHFFFAOYSA-N 1 2 275.352 1.596 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)C2(C3CC3)CCOCC2)C1 ZINC000329595385 391023339 /nfs/dbraw/zinc/02/33/39/391023339.db2.gz BULRYUGRRZBNGY-CYBMUJFWSA-N 1 2 282.384 1.480 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)C2(C3CC3)CCOCC2)C1 ZINC000329595385 391023343 /nfs/dbraw/zinc/02/33/43/391023343.db2.gz BULRYUGRRZBNGY-CYBMUJFWSA-N 1 2 282.384 1.480 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCC(C)(C)CCC#N ZINC000350992738 391026096 /nfs/dbraw/zinc/02/60/96/391026096.db2.gz PPJFMEAGIZVQSV-GFCCVEGCSA-N 1 2 277.372 1.901 20 30 CDEDLO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(C)CC1(O)CCC1 ZINC000329509563 391001232 /nfs/dbraw/zinc/00/12/32/391001232.db2.gz JRDJGPDPJHZDDL-DGCLKSJQSA-N 1 2 281.400 1.230 20 30 CDEDLO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N(C)CC1(O)CCC1 ZINC000329509563 391001238 /nfs/dbraw/zinc/00/12/38/391001238.db2.gz JRDJGPDPJHZDDL-DGCLKSJQSA-N 1 2 281.400 1.230 20 30 CDEDLO N#CCC1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000373824760 391134361 /nfs/dbraw/zinc/13/43/61/391134361.db2.gz RTDJNBXXIVWEIY-NSHDSACASA-N 1 2 258.325 1.256 20 30 CDEDLO N#CCC1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000373824757 391134626 /nfs/dbraw/zinc/13/46/26/391134626.db2.gz RTDJNBXXIVWEIY-LLVKDONJSA-N 1 2 258.325 1.256 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCN1CCC(F)(C#N)CC1 ZINC000352449777 391141170 /nfs/dbraw/zinc/14/11/70/391141170.db2.gz OIXIQAYTWAUFPF-LBPRGKRZSA-N 1 2 255.337 1.035 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCN1CCC(F)(C#N)CC1 ZINC000352449777 391141173 /nfs/dbraw/zinc/14/11/73/391141173.db2.gz OIXIQAYTWAUFPF-LBPRGKRZSA-N 1 2 255.337 1.035 20 30 CDEDLO C=CCC(C)(C)CNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000352476054 391153887 /nfs/dbraw/zinc/15/38/87/391153887.db2.gz GSWWFUMFJFVYSA-UHFFFAOYSA-N 1 2 283.416 1.161 20 30 CDEDLO C=CCC(C)(C)CNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000352476054 391153889 /nfs/dbraw/zinc/15/38/89/391153889.db2.gz GSWWFUMFJFVYSA-UHFFFAOYSA-N 1 2 283.416 1.161 20 30 CDEDLO CCN(CC)C(=O)[C@@H](C)O[NH+]=C(N)Cc1csc(C)n1 ZINC000178144771 391182106 /nfs/dbraw/zinc/18/21/06/391182106.db2.gz GBXRDNQLZXPBRD-SECBINFHSA-N 1 2 298.412 1.540 20 30 CDEDLO C[C@H](CC#N)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000353781170 533608712 /nfs/dbraw/zinc/60/87/12/533608712.db2.gz WKSRSLMYRPQDAY-CYBMUJFWSA-N 1 2 282.347 1.892 20 30 CDEDLO C#CC[N@@H+](C[C@H]1CCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000491711636 391230298 /nfs/dbraw/zinc/23/02/98/391230298.db2.gz WVPNXCDIUBCCEJ-VXGBXAGGSA-N 1 2 291.363 1.544 20 30 CDEDLO C#CC[N@H+](C[C@H]1CCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000491711636 391230302 /nfs/dbraw/zinc/23/03/02/391230302.db2.gz WVPNXCDIUBCCEJ-VXGBXAGGSA-N 1 2 291.363 1.544 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCCCCCCO)cc1OC ZINC000179255975 391199375 /nfs/dbraw/zinc/19/93/75/391199375.db2.gz OSUCPELRRIXSQF-UHFFFAOYSA-N 1 2 296.367 1.893 20 30 CDEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(CC#N)CC2)cs1 ZINC000267691879 391202685 /nfs/dbraw/zinc/20/26/85/391202685.db2.gz HSBOSOJUVPSUFU-GFCCVEGCSA-N 1 2 294.424 1.882 20 30 CDEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(CC#N)CC2)cs1 ZINC000267691879 391202689 /nfs/dbraw/zinc/20/26/89/391202689.db2.gz HSBOSOJUVPSUFU-GFCCVEGCSA-N 1 2 294.424 1.882 20 30 CDEDLO CC[C@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000582063433 391277510 /nfs/dbraw/zinc/27/75/10/391277510.db2.gz JDWPYYHSVTUIPW-ZDUSSCGKSA-N 1 2 271.324 1.212 20 30 CDEDLO CC[C@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000582063433 391277511 /nfs/dbraw/zinc/27/75/11/391277511.db2.gz JDWPYYHSVTUIPW-ZDUSSCGKSA-N 1 2 271.324 1.212 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccco1 ZINC000345767373 391311660 /nfs/dbraw/zinc/31/16/60/391311660.db2.gz GUVNVPUQOGTEDW-NSHDSACASA-N 1 2 261.325 1.662 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccco1 ZINC000345767373 391311663 /nfs/dbraw/zinc/31/16/63/391311663.db2.gz GUVNVPUQOGTEDW-NSHDSACASA-N 1 2 261.325 1.662 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000339755430 391348241 /nfs/dbraw/zinc/34/82/41/391348241.db2.gz HFEZQHARYUSACD-UHFFFAOYSA-N 1 2 273.336 1.539 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000339755430 391348246 /nfs/dbraw/zinc/34/82/46/391348246.db2.gz HFEZQHARYUSACD-UHFFFAOYSA-N 1 2 273.336 1.539 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000339759389 391349978 /nfs/dbraw/zinc/34/99/78/391349978.db2.gz MMLJFUGQEFXQIW-BFHYXJOUSA-N 1 2 250.386 1.882 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000339759389 391349982 /nfs/dbraw/zinc/34/99/82/391349982.db2.gz MMLJFUGQEFXQIW-BFHYXJOUSA-N 1 2 250.386 1.882 20 30 CDEDLO C=CCCOCCNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000339829434 391383731 /nfs/dbraw/zinc/38/37/31/391383731.db2.gz QTYZDOWEDBYWKG-UHFFFAOYSA-N 1 2 280.372 1.507 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1csnn1 ZINC000412025351 391546641 /nfs/dbraw/zinc/54/66/41/391546641.db2.gz IJLHGKUQZZZBHJ-SNVBAGLBSA-N 1 2 268.386 1.613 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000320462629 391722692 /nfs/dbraw/zinc/72/26/92/391722692.db2.gz LMFPXZQWWRSNDS-GFCCVEGCSA-N 1 2 273.336 1.320 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)NCc1ccc(C#N)cc1 ZINC000341837810 130082132 /nfs/dbraw/zinc/08/21/32/130082132.db2.gz GGIPQMPFHKGQDU-UHFFFAOYSA-N 1 2 283.335 1.633 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](CO)C2)c(C#N)c1C ZINC000190858013 130154678 /nfs/dbraw/zinc/15/46/78/130154678.db2.gz VIAJRWBNHKOMTB-SKDRFNHKSA-N 1 2 291.351 1.267 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](CO)C2)c(C#N)c1C ZINC000190858013 130154680 /nfs/dbraw/zinc/15/46/80/130154680.db2.gz VIAJRWBNHKOMTB-SKDRFNHKSA-N 1 2 291.351 1.267 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCCC[C@H]1CCO ZINC000329736130 391766071 /nfs/dbraw/zinc/76/60/71/391766071.db2.gz LGDYBHUUABVWPD-NEPJUHHUSA-N 1 2 292.383 1.418 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCCC[C@H]1CCO ZINC000329736130 391766079 /nfs/dbraw/zinc/76/60/79/391766079.db2.gz LGDYBHUUABVWPD-NEPJUHHUSA-N 1 2 292.383 1.418 20 30 CDEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N(CCO)C1CCC1 ZINC000329754492 391772343 /nfs/dbraw/zinc/77/23/43/391772343.db2.gz XIPWGLHKAQWYAS-JTQLQIEISA-N 1 2 278.356 1.028 20 30 CDEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N(CCO)C1CCC1 ZINC000329754492 391772347 /nfs/dbraw/zinc/77/23/47/391772347.db2.gz XIPWGLHKAQWYAS-JTQLQIEISA-N 1 2 278.356 1.028 20 30 CDEDLO C[C@H](O)[C@@H]1CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000329759168 391773231 /nfs/dbraw/zinc/77/32/31/391773231.db2.gz ONEOJFPZVLQVJH-YNEHKIRRSA-N 1 2 292.383 1.377 20 30 CDEDLO N#CCCN(Cc1ccco1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000372170373 391840212 /nfs/dbraw/zinc/84/02/12/391840212.db2.gz RHNIXSCFWZULQI-ZDUSSCGKSA-N 1 2 298.346 1.981 20 30 CDEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1nncn1C ZINC000494793651 391901362 /nfs/dbraw/zinc/90/13/62/391901362.db2.gz JSOBSUAUBGATOT-JTQLQIEISA-N 1 2 271.324 1.546 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2c(Cl)cnn2C)CC1 ZINC000342837883 392054049 /nfs/dbraw/zinc/05/40/49/392054049.db2.gz LHXHIWYDHLIQGB-UHFFFAOYSA-N 1 2 282.775 1.826 20 30 CDEDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CC(=O)NCC#N ZINC000334376910 392113773 /nfs/dbraw/zinc/11/37/73/392113773.db2.gz FMFFJDDUSLKPSJ-MNOVXSKESA-N 1 2 275.327 1.773 20 30 CDEDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CC(=O)NCC#N ZINC000334376910 392113779 /nfs/dbraw/zinc/11/37/79/392113779.db2.gz FMFFJDDUSLKPSJ-MNOVXSKESA-N 1 2 275.327 1.773 20 30 CDEDLO CO[C@@H]1C[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@H]1OC ZINC000459426329 392437222 /nfs/dbraw/zinc/43/72/22/392437222.db2.gz STXKAZSRNGPQSF-ZIAGYGMSSA-N 1 2 291.307 1.312 20 30 CDEDLO Cc1noc(C2C[NH+](Cc3ccc(C#N)cc3F)C2)n1 ZINC000459603787 392491252 /nfs/dbraw/zinc/49/12/52/392491252.db2.gz IOFUOEIWUIPGJR-UHFFFAOYSA-N 1 2 272.283 1.988 20 30 CDEDLO C[C@@H]([NH2+][C@H](C)c1ccn(C)n1)C(=O)Nc1cccc(C#N)c1 ZINC000459796986 392507371 /nfs/dbraw/zinc/50/73/71/392507371.db2.gz RSLJMCZMCNKQDJ-VXGBXAGGSA-N 1 2 297.362 1.970 20 30 CDEDLO CCc1nnc(C[NH2+]Cc2ccc(C#N)c(F)c2)[nH]1 ZINC000421379319 392933237 /nfs/dbraw/zinc/93/32/37/392933237.db2.gz IJMLHXJDWQKEKY-UHFFFAOYSA-N 1 2 259.288 1.668 20 30 CDEDLO N#Cc1ccc([N+](=O)[O-])c(N2CCn3c[nH+]cc3C2)c1 ZINC000370678937 392968501 /nfs/dbraw/zinc/96/85/01/392968501.db2.gz ZMGWHJYZELMPMJ-UHFFFAOYSA-N 1 2 269.264 1.683 20 30 CDEDLO Cc1cc(N[C@H]2c3ccccc3C[C@@H]2O)c(C#N)c[nH+]1 ZINC000425201908 392991822 /nfs/dbraw/zinc/99/18/22/392991822.db2.gz BGQYNALZSZQYFE-HOTGVXAUSA-N 1 2 265.316 1.754 20 30 CDEDLO COCc1nc(CNc2cc(C)[nH+]cc2C#N)cs1 ZINC000425256750 393007548 /nfs/dbraw/zinc/00/75/48/393007548.db2.gz BRJJEDSCXJPGFE-UHFFFAOYSA-N 1 2 274.349 1.899 20 30 CDEDLO Cc1cc(NCC2(S(C)(=O)=O)CCCC2)c(C#N)c[nH+]1 ZINC000425255073 393007611 /nfs/dbraw/zinc/00/76/11/393007611.db2.gz OQMUMARNPRZODO-UHFFFAOYSA-N 1 2 293.392 1.453 20 30 CDEDLO CCOC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2OC)CCO1 ZINC000528725017 393028949 /nfs/dbraw/zinc/02/89/49/393028949.db2.gz NWYIYOYPIPBHOI-HNNXBMFYSA-N 1 2 290.363 1.804 20 30 CDEDLO CCOC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2OC)CCO1 ZINC000528725017 393028953 /nfs/dbraw/zinc/02/89/53/393028953.db2.gz NWYIYOYPIPBHOI-HNNXBMFYSA-N 1 2 290.363 1.804 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)nc1 ZINC000530958477 393057821 /nfs/dbraw/zinc/05/78/21/393057821.db2.gz MLPRICHPHKIOLZ-UHFFFAOYSA-N 1 2 281.319 1.696 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)nc1 ZINC000530958477 393057825 /nfs/dbraw/zinc/05/78/25/393057825.db2.gz MLPRICHPHKIOLZ-UHFFFAOYSA-N 1 2 281.319 1.696 20 30 CDEDLO CCN1CCN(c2cccc(C#N)n2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530374855 397603971 /nfs/dbraw/zinc/60/39/71/397603971.db2.gz XZYPBYGLEQHGGQ-CYBMUJFWSA-N 1 2 282.351 1.560 20 30 CDEDLO COCC#CC[N@H+](C)Cc1ncc(C)c(OC)c1C ZINC000649896251 398029080 /nfs/dbraw/zinc/02/90/80/398029080.db2.gz XUQKKSODFTULRR-UHFFFAOYSA-N 1 2 262.353 1.789 20 30 CDEDLO COCC#CC[N@@H+](C)Cc1ncc(C)c(OC)c1C ZINC000649896251 398029084 /nfs/dbraw/zinc/02/90/84/398029084.db2.gz XUQKKSODFTULRR-UHFFFAOYSA-N 1 2 262.353 1.789 20 30 CDEDLO COC(=O)C(C)(C)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000346002372 153022272 /nfs/dbraw/zinc/02/22/72/153022272.db2.gz AELFLLRSKOEFJY-UHFFFAOYSA-N 1 2 276.336 1.820 20 30 CDEDLO COC(=O)C(C)(C)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000346002372 153022273 /nfs/dbraw/zinc/02/22/73/153022273.db2.gz AELFLLRSKOEFJY-UHFFFAOYSA-N 1 2 276.336 1.820 20 30 CDEDLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356054121 157336334 /nfs/dbraw/zinc/33/63/34/157336334.db2.gz KDMXCNPNUDCDCC-SNVBAGLBSA-N 1 2 279.365 1.790 20 30 CDEDLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356054121 157336337 /nfs/dbraw/zinc/33/63/37/157336337.db2.gz KDMXCNPNUDCDCC-SNVBAGLBSA-N 1 2 279.365 1.790 20 30 CDEDLO Cc1[nH]c2ccc(Cn3c(N)nc(C#N)c3C#N)cc2[nH+]1 ZINC000358856345 158054387 /nfs/dbraw/zinc/05/43/87/158054387.db2.gz UZJHZIDGBDFZJS-UHFFFAOYSA-N 1 2 277.291 1.272 20 30 CDEDLO Cc1[nH]c2cc(Cn3c(N)nc(C#N)c3C#N)ccc2[nH+]1 ZINC000358856345 158054388 /nfs/dbraw/zinc/05/43/88/158054388.db2.gz UZJHZIDGBDFZJS-UHFFFAOYSA-N 1 2 277.291 1.272 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2C[C@H](C)[C@H](CO)C2)c(C#N)c1C ZINC000362069722 159058208 /nfs/dbraw/zinc/05/82/08/159058208.db2.gz VIAJRWBNHKOMTB-CABZTGNLSA-N 1 2 291.351 1.267 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@H](C)[C@H](CO)C2)c(C#N)c1C ZINC000362069722 159058210 /nfs/dbraw/zinc/05/82/10/159058210.db2.gz VIAJRWBNHKOMTB-CABZTGNLSA-N 1 2 291.351 1.267 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000373032942 160166810 /nfs/dbraw/zinc/16/68/10/160166810.db2.gz BGTIWDDBDDEFIN-GFCCVEGCSA-N 1 2 283.335 1.640 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664830407 413679253 /nfs/dbraw/zinc/67/92/53/413679253.db2.gz VYJRHCVOGJIYPI-CQSZACIVSA-N 1 2 259.353 1.767 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664830407 413679259 /nfs/dbraw/zinc/67/92/59/413679259.db2.gz VYJRHCVOGJIYPI-CQSZACIVSA-N 1 2 259.353 1.767 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661120666 413806288 /nfs/dbraw/zinc/80/62/88/413806288.db2.gz QOIOMYGDPDUEJZ-YPMHNXCESA-N 1 2 278.356 1.532 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661120666 413806297 /nfs/dbraw/zinc/80/62/97/413806297.db2.gz QOIOMYGDPDUEJZ-YPMHNXCESA-N 1 2 278.356 1.532 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2c2nc(C)no2)C1=O ZINC000285488135 196301085 /nfs/dbraw/zinc/30/10/85/196301085.db2.gz BYPSURHFWXTXLA-NWDGAFQWSA-N 1 2 276.340 1.302 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2c2nc(C)no2)C1=O ZINC000285488135 196301086 /nfs/dbraw/zinc/30/10/86/196301086.db2.gz BYPSURHFWXTXLA-NWDGAFQWSA-N 1 2 276.340 1.302 20 30 CDEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2ccccc2O)CC1 ZINC000656900485 413782271 /nfs/dbraw/zinc/78/22/71/413782271.db2.gz ZLVPVOSTADIHBU-UHFFFAOYSA-N 1 2 296.392 1.321 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCOc2ccc(C)cc2C1 ZINC000285633929 196351368 /nfs/dbraw/zinc/35/13/68/196351368.db2.gz RIZNURXFULHYCT-ZDUSSCGKSA-N 1 2 272.348 1.327 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCOc2ccc(C)cc2C1 ZINC000285633929 196351369 /nfs/dbraw/zinc/35/13/69/196351369.db2.gz RIZNURXFULHYCT-ZDUSSCGKSA-N 1 2 272.348 1.327 20 30 CDEDLO COc1cc(OC)c(C[NH2+]CCC#N)c(OC)c1 ZINC000037374872 173164685 /nfs/dbraw/zinc/16/46/85/173164685.db2.gz RUGKUILXXONVKA-UHFFFAOYSA-N 1 2 250.298 1.716 20 30 CDEDLO C=CCN1CC[C@@H]([NH2+][C@@H](CO)c2ccc(F)cc2F)C1=O ZINC000662162958 414542209 /nfs/dbraw/zinc/54/22/09/414542209.db2.gz JHWMCOZUBSIWJR-KGLIPLIRSA-N 1 2 296.317 1.375 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000662167019 414546295 /nfs/dbraw/zinc/54/62/95/414546295.db2.gz OARHZYTYTWHARQ-ZYHUDNBSSA-N 1 2 289.335 1.943 20 30 CDEDLO N#CCC1(CNC(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000334913592 225363674 /nfs/dbraw/zinc/36/36/74/225363674.db2.gz DJQZZDDGBRTXPR-UHFFFAOYSA-N 1 2 259.313 1.102 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CCCCC#N)C1CC1 ZINC000352304108 228217125 /nfs/dbraw/zinc/21/71/25/228217125.db2.gz XHFNBGJYSLVOHG-LBPRGKRZSA-N 1 2 296.396 1.484 20 30 CDEDLO C=CCNC(=O)C[NH+](CCCCC)CC(=O)NCC=C ZINC000298412898 260153544 /nfs/dbraw/zinc/15/35/44/260153544.db2.gz IWDINRHXPYYAKX-UHFFFAOYSA-N 1 2 281.400 1.083 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NCc1ccccc1F ZINC000049000866 260202873 /nfs/dbraw/zinc/20/28/73/260202873.db2.gz SDBCSJSJJOXDRE-NEPJUHHUSA-N 1 2 277.343 1.922 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NCc1ccccc1F ZINC000049000866 260202871 /nfs/dbraw/zinc/20/28/71/260202871.db2.gz SDBCSJSJJOXDRE-NEPJUHHUSA-N 1 2 277.343 1.922 20 30 CDEDLO NC(=O)[C@@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177124360 261335586 /nfs/dbraw/zinc/33/55/86/261335586.db2.gz RFQAEAKCQJKGOO-ZDUSSCGKSA-N 1 2 262.740 1.641 20 30 CDEDLO NC(=O)[C@@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177124360 261335588 /nfs/dbraw/zinc/33/55/88/261335588.db2.gz RFQAEAKCQJKGOO-ZDUSSCGKSA-N 1 2 262.740 1.641 20 30 CDEDLO C=CCCCC(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000364356134 262216040 /nfs/dbraw/zinc/21/60/40/262216040.db2.gz GGNMTIXREDGBJL-UHFFFAOYSA-N 1 2 290.411 1.811 20 30 CDEDLO C=CCCCC(=O)N1CCC[N@@H+](Cc2nccn2C)CC1 ZINC000364356134 262216042 /nfs/dbraw/zinc/21/60/42/262216042.db2.gz GGNMTIXREDGBJL-UHFFFAOYSA-N 1 2 290.411 1.811 20 30 CDEDLO C=CCCCC(=O)N1CCC[N@H+](Cc2nccn2C)CC1 ZINC000364356134 262216043 /nfs/dbraw/zinc/21/60/43/262216043.db2.gz GGNMTIXREDGBJL-UHFFFAOYSA-N 1 2 290.411 1.811 20 30 CDEDLO C=CCCS(=O)(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000119552269 262273864 /nfs/dbraw/zinc/27/38/64/262273864.db2.gz ZMDFPUWUUMVYKQ-UHFFFAOYSA-N 1 2 283.397 1.257 20 30 CDEDLO CN(CC#N)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000337543086 262457507 /nfs/dbraw/zinc/45/75/07/262457507.db2.gz MBYQTGARVDYRTC-UHFFFAOYSA-N 1 2 254.293 1.527 20 30 CDEDLO N#CCCCNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000277908418 263044551 /nfs/dbraw/zinc/04/45/51/263044551.db2.gz UWGQDHUUWFYVEM-GFCCVEGCSA-N 1 2 275.356 1.543 20 30 CDEDLO N#CCCCNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000277908418 263044552 /nfs/dbraw/zinc/04/45/52/263044552.db2.gz UWGQDHUUWFYVEM-GFCCVEGCSA-N 1 2 275.356 1.543 20 30 CDEDLO NC(=[NH+]OCc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000284399371 263086569 /nfs/dbraw/zinc/08/65/69/263086569.db2.gz MZDZPGZTWLBXAK-LLVKDONJSA-N 1 2 265.269 1.563 20 30 CDEDLO CCc1nc(CO[NH+]=C(N)[C@H]2CCCO2)cs1 ZINC000284425509 263086803 /nfs/dbraw/zinc/08/68/03/263086803.db2.gz OLUXSULURXXKJV-SECBINFHSA-N 1 2 255.343 1.673 20 30 CDEDLO CN(CCC#N)c1ccc(C[N@H+](C)Cc2nncn2C)cc1 ZINC000290195292 263115182 /nfs/dbraw/zinc/11/51/82/263115182.db2.gz PBTDMMDLBDWAHH-UHFFFAOYSA-N 1 2 298.394 1.797 20 30 CDEDLO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2nncn2C)cc1 ZINC000290195292 263115183 /nfs/dbraw/zinc/11/51/83/263115183.db2.gz PBTDMMDLBDWAHH-UHFFFAOYSA-N 1 2 298.394 1.797 20 30 CDEDLO COc1cc2[nH+]ccc(N3CCO[C@H](C#N)C3)c2cc1OC ZINC000298387907 263218744 /nfs/dbraw/zinc/21/87/44/263218744.db2.gz VGOIREDKXJIZNK-LLVKDONJSA-N 1 2 299.330 1.981 20 30 CDEDLO Cc1nn(C)c2ncc(C[N@@H+](C)C[C@H](C)C#N)cc12 ZINC000299160326 263232333 /nfs/dbraw/zinc/23/23/33/263232333.db2.gz KYJZROLVGKEAFS-SNVBAGLBSA-N 1 2 257.341 1.868 20 30 CDEDLO Cc1nn(C)c2ncc(C[N@H+](C)C[C@H](C)C#N)cc12 ZINC000299160326 263232335 /nfs/dbraw/zinc/23/23/35/263232335.db2.gz KYJZROLVGKEAFS-SNVBAGLBSA-N 1 2 257.341 1.868 20 30 CDEDLO C=CC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000121199717 263292313 /nfs/dbraw/zinc/29/23/13/263292313.db2.gz AIMNCAPRFXYAKF-UHFFFAOYSA-N 1 2 264.350 1.450 20 30 CDEDLO C=CC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000121199717 263292315 /nfs/dbraw/zinc/29/23/15/263292315.db2.gz AIMNCAPRFXYAKF-UHFFFAOYSA-N 1 2 264.350 1.450 20 30 CDEDLO C[C@@H](NCC#CC[NH2+][C@H](C)c1ccon1)c1ccon1 ZINC000341906787 263365117 /nfs/dbraw/zinc/36/51/17/263365117.db2.gz ANZLITOSNMKIOY-VXGBXAGGSA-N 1 2 274.324 1.667 20 30 CDEDLO CCn1nccc1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330692840 264004935 /nfs/dbraw/zinc/00/49/35/264004935.db2.gz RPEGSFDRNSRAQR-UHFFFAOYSA-N 1 2 295.387 1.340 20 30 CDEDLO CCn1nccc1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330692840 264004937 /nfs/dbraw/zinc/00/49/37/264004937.db2.gz RPEGSFDRNSRAQR-UHFFFAOYSA-N 1 2 295.387 1.340 20 30 CDEDLO COC1CCC(N(C)C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000330797717 264040750 /nfs/dbraw/zinc/04/07/50/264040750.db2.gz GRXSSPSBDYIWTN-UHFFFAOYSA-N 1 2 299.415 1.122 20 30 CDEDLO CCc1ocnc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330864824 264057384 /nfs/dbraw/zinc/05/73/84/264057384.db2.gz UQKMKJGMOULEGJ-JTQLQIEISA-N 1 2 267.329 1.262 20 30 CDEDLO CCc1ocnc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330864824 264057386 /nfs/dbraw/zinc/05/73/86/264057386.db2.gz UQKMKJGMOULEGJ-JTQLQIEISA-N 1 2 267.329 1.262 20 30 CDEDLO CCc1cncc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)c1 ZINC000330958524 264088041 /nfs/dbraw/zinc/08/80/41/264088041.db2.gz KVRIZGDJIALBJD-GFCCVEGCSA-N 1 2 277.368 1.669 20 30 CDEDLO CCc1cncc(C(=O)NCC[N@H+]2CCOC[C@H]2C)c1 ZINC000330958524 264088042 /nfs/dbraw/zinc/08/80/42/264088042.db2.gz KVRIZGDJIALBJD-GFCCVEGCSA-N 1 2 277.368 1.669 20 30 CDEDLO COc1cc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)ccc1F ZINC000331061223 264110690 /nfs/dbraw/zinc/11/06/90/264110690.db2.gz UHJRJSLBBMLOSS-NSHDSACASA-N 1 2 296.342 1.860 20 30 CDEDLO COc1cc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)ccc1F ZINC000331061223 264110693 /nfs/dbraw/zinc/11/06/93/264110693.db2.gz UHJRJSLBBMLOSS-NSHDSACASA-N 1 2 296.342 1.860 20 30 CDEDLO Cc1cccnc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000331152598 264139978 /nfs/dbraw/zinc/13/99/78/264139978.db2.gz OIZVCFUCTRXWAF-GFCCVEGCSA-N 1 2 263.341 1.415 20 30 CDEDLO Cc1cccnc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000331152598 264139981 /nfs/dbraw/zinc/13/99/81/264139981.db2.gz OIZVCFUCTRXWAF-GFCCVEGCSA-N 1 2 263.341 1.415 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000331202489 264160569 /nfs/dbraw/zinc/16/05/69/264160569.db2.gz QUQHWOGOIYAAPX-YPMHNXCESA-N 1 2 263.341 1.723 20 30 CDEDLO C=C[C@@H](C)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000334046736 264228225 /nfs/dbraw/zinc/22/82/25/264228225.db2.gz FGMILLFKWNFINK-OCCSQVGLSA-N 1 2 299.440 1.068 20 30 CDEDLO C=CC[N@@H+](C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000425416733 264295711 /nfs/dbraw/zinc/29/57/11/264295711.db2.gz LTUQBPROMVFARB-CHWSQXEVSA-N 1 2 273.398 1.087 20 30 CDEDLO C=CC[N@H+](C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000425416733 264295712 /nfs/dbraw/zinc/29/57/12/264295712.db2.gz LTUQBPROMVFARB-CHWSQXEVSA-N 1 2 273.398 1.087 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCSC[C@@H]2CCO)nn1 ZINC000653569589 424294876 /nfs/dbraw/zinc/29/48/76/424294876.db2.gz YPHVTVTVLPCORB-ZDUSSCGKSA-N 1 2 282.413 1.154 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCSC[C@@H]2CCO)nn1 ZINC000653569589 424294884 /nfs/dbraw/zinc/29/48/84/424294884.db2.gz YPHVTVTVLPCORB-ZDUSSCGKSA-N 1 2 282.413 1.154 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)nn1 ZINC000653624264 424370612 /nfs/dbraw/zinc/37/06/12/424370612.db2.gz HLVTYEDMCKVDRA-YPMHNXCESA-N 1 2 250.346 1.057 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CC[C@H](O)[C@H](C)C2)nn1 ZINC000653624264 424370618 /nfs/dbraw/zinc/37/06/18/424370618.db2.gz HLVTYEDMCKVDRA-YPMHNXCESA-N 1 2 250.346 1.057 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)nn1 ZINC000653624261 424371048 /nfs/dbraw/zinc/37/10/48/424371048.db2.gz HLVTYEDMCKVDRA-AAEUAGOBSA-N 1 2 250.346 1.057 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)nn1 ZINC000653624261 424371056 /nfs/dbraw/zinc/37/10/56/424371056.db2.gz HLVTYEDMCKVDRA-AAEUAGOBSA-N 1 2 250.346 1.057 20 30 CDEDLO COc1ccc([C@H](NC(=O)[C@H](C)C#N)c2[nH+]ccn2C)cc1 ZINC000357800918 266366224 /nfs/dbraw/zinc/36/62/24/266366224.db2.gz OBACAOLCBKPNIJ-RISCZKNCSA-N 1 2 298.346 1.794 20 30 CDEDLO C=CC[NH+](CC=C)CC(=O)NCC(=O)c1cccs1 ZINC000358935287 266509638 /nfs/dbraw/zinc/50/96/38/266509638.db2.gz PIICZDONMZYOPI-UHFFFAOYSA-N 1 2 278.377 1.721 20 30 CDEDLO CC#CCCNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000359150946 266543458 /nfs/dbraw/zinc/54/34/58/266543458.db2.gz RWWCHPQYJNNFKT-UHFFFAOYSA-N 1 2 270.336 1.855 20 30 CDEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CSCC#N ZINC000369360253 267238018 /nfs/dbraw/zinc/23/80/18/267238018.db2.gz WCHORVAJXBMEQW-UHFFFAOYSA-N 1 2 278.381 1.435 20 30 CDEDLO C[C@@H]1CC(=O)NCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000369415586 267242121 /nfs/dbraw/zinc/24/21/21/267242121.db2.gz AMJKLQYLZHBQLA-GFCCVEGCSA-N 1 2 276.767 1.902 20 30 CDEDLO C[C@@H]1CC(=O)NCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000369415586 267242124 /nfs/dbraw/zinc/24/21/24/267242124.db2.gz AMJKLQYLZHBQLA-GFCCVEGCSA-N 1 2 276.767 1.902 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCOCC12CCCC2)C1CC1 ZINC000371249541 267377582 /nfs/dbraw/zinc/37/75/82/267377582.db2.gz KSUSZKUZPNCTJY-HNNXBMFYSA-N 1 2 291.395 1.440 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCOCC12CCCC2)C1CC1 ZINC000371249541 267377585 /nfs/dbraw/zinc/37/75/85/267377585.db2.gz KSUSZKUZPNCTJY-HNNXBMFYSA-N 1 2 291.395 1.440 20 30 CDEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(C)(C)C#N)C1 ZINC000120113670 267381776 /nfs/dbraw/zinc/38/17/76/267381776.db2.gz ZPOODVBKKRQVGC-LBPRGKRZSA-N 1 2 274.368 1.751 20 30 CDEDLO C=CCCS(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121596345 267690859 /nfs/dbraw/zinc/69/08/59/267690859.db2.gz UUAKMKOSYBRQLH-CYBMUJFWSA-N 1 2 282.365 1.441 20 30 CDEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCN1CCNC1=O ZINC000377275314 268062891 /nfs/dbraw/zinc/06/28/91/268062891.db2.gz HXROJGZZOIXZMV-CVEARBPZSA-N 1 2 298.390 1.783 20 30 CDEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCN1CCNC1=O ZINC000377275314 268062892 /nfs/dbraw/zinc/06/28/92/268062892.db2.gz HXROJGZZOIXZMV-CVEARBPZSA-N 1 2 298.390 1.783 20 30 CDEDLO N#Cc1cc(N2CC[NH+](Cc3ccncc3)CC2)ncn1 ZINC000527379784 268184507 /nfs/dbraw/zinc/18/45/07/268184507.db2.gz GUSMAGDLTYVRGW-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO C[N@H+](CCOCC1CC1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000088599633 270231910 /nfs/dbraw/zinc/23/19/10/270231910.db2.gz QEIPSHZXSBXGJZ-HNNXBMFYSA-N 1 2 287.363 1.443 20 30 CDEDLO C[N@@H+](CCOCC1CC1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000088599633 270231913 /nfs/dbraw/zinc/23/19/13/270231913.db2.gz QEIPSHZXSBXGJZ-HNNXBMFYSA-N 1 2 287.363 1.443 20 30 CDEDLO COC(=O)[C@@]1(C)CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425235372 277378332 /nfs/dbraw/zinc/37/83/32/277378332.db2.gz ISEHDYMOHLBUOA-AWEZNQCLSA-N 1 2 259.309 1.651 20 30 CDEDLO N#Cc1nccc(Nc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000555020894 290201845 /nfs/dbraw/zinc/20/18/45/290201845.db2.gz FNVSYFGGQBDWMB-UHFFFAOYSA-N 1 2 266.308 1.509 20 30 CDEDLO N#CCC[N@H+](CC1CC1)C[C@H]1CCS(=O)(=O)C1 ZINC000331857736 303152250 /nfs/dbraw/zinc/15/22/50/303152250.db2.gz IGUDCUFLYHRCFK-GFCCVEGCSA-N 1 2 256.371 1.047 20 30 CDEDLO N#CCC[N@@H+](CC1CC1)C[C@H]1CCS(=O)(=O)C1 ZINC000331857736 303152251 /nfs/dbraw/zinc/15/22/51/303152251.db2.gz IGUDCUFLYHRCFK-GFCCVEGCSA-N 1 2 256.371 1.047 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](COC)c1ccco1 ZINC000184623038 327831410 /nfs/dbraw/zinc/83/14/10/327831410.db2.gz DHEDIMIYRZWQRP-QWHCGFSZSA-N 1 2 293.367 1.565 20 30 CDEDLO N#CC1(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000160728935 327978060 /nfs/dbraw/zinc/97/80/60/327978060.db2.gz KAJJVWPOMUDSLK-UHFFFAOYSA-N 1 2 252.277 1.658 20 30 CDEDLO C#CCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000048020199 328036015 /nfs/dbraw/zinc/03/60/15/328036015.db2.gz NYLOZMAHMYTHNP-UHFFFAOYSA-N 1 2 282.347 1.406 20 30 CDEDLO C[C@H]1CSCC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000247115000 328077868 /nfs/dbraw/zinc/07/78/68/328077868.db2.gz PKIFBNOQVQRDQR-GXFFZTMASA-N 1 2 267.398 1.232 20 30 CDEDLO C[C@H]1CSCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000247115000 328077869 /nfs/dbraw/zinc/07/78/69/328077869.db2.gz PKIFBNOQVQRDQR-GXFFZTMASA-N 1 2 267.398 1.232 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000571295288 328100220 /nfs/dbraw/zinc/10/02/20/328100220.db2.gz UOZAKDWPRJWFPY-NSHDSACASA-N 1 2 291.351 1.924 20 30 CDEDLO N#CCC[C@@H](C#N)CN1CC[NH+](Cc2ccco2)CC1 ZINC000274166625 328208786 /nfs/dbraw/zinc/20/87/86/328208786.db2.gz AHBUFULYSOQCMZ-AWEZNQCLSA-N 1 2 272.352 1.841 20 30 CDEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)CCCC#N)CC1 ZINC000292504827 328270740 /nfs/dbraw/zinc/27/07/40/328270740.db2.gz GAHRMNKEWPBBDA-UHFFFAOYSA-N 1 2 290.367 1.630 20 30 CDEDLO CCC(C#N)(CC)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000529074441 328292101 /nfs/dbraw/zinc/29/21/01/328292101.db2.gz RIYXVQLVRJUXQY-NSHDSACASA-N 1 2 260.341 1.644 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)OCC ZINC000535125146 328388998 /nfs/dbraw/zinc/38/89/98/328388998.db2.gz LOPCYIBKAXTKFI-KBPBESRZSA-N 1 2 284.400 1.195 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCC[N@H+]1CCO[C@@H](C)C1)OCC ZINC000535125146 328388999 /nfs/dbraw/zinc/38/89/99/328388999.db2.gz LOPCYIBKAXTKFI-KBPBESRZSA-N 1 2 284.400 1.195 20 30 CDEDLO N#CCSCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330771052 328469804 /nfs/dbraw/zinc/46/98/04/328469804.db2.gz OGHWSBYLEFBCJU-UHFFFAOYSA-N 1 2 264.354 1.372 20 30 CDEDLO C=CCN(CCOC)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000358278776 327242890 /nfs/dbraw/zinc/24/28/90/327242890.db2.gz RRALDGTYYVZHAN-LBPRGKRZSA-N 1 2 266.345 1.116 20 30 CDEDLO N#CCC1(CNC(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000582762262 329151546 /nfs/dbraw/zinc/15/15/46/329151546.db2.gz VEPZRSWGLQATEN-UHFFFAOYSA-N 1 2 283.335 1.827 20 30 CDEDLO CC#CC[NH+]1CCN(Cc2nc([C@H](C)OCC)no2)CC1 ZINC000174051259 329153895 /nfs/dbraw/zinc/15/38/95/329153895.db2.gz VQYSRMGZKOIFET-ZDUSSCGKSA-N 1 2 292.383 1.308 20 30 CDEDLO C=C(C)CN(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000181614855 329234933 /nfs/dbraw/zinc/23/49/33/329234933.db2.gz PRBHLUGPKWBHIZ-CYBMUJFWSA-N 1 2 274.368 1.878 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC(CCC#N)CC1 ZINC000583144512 329321758 /nfs/dbraw/zinc/32/17/58/329321758.db2.gz GFQYSSXVIIQMIK-UHFFFAOYSA-N 1 2 260.341 1.803 20 30 CDEDLO C#CCOCCC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000130773964 329627908 /nfs/dbraw/zinc/62/79/08/329627908.db2.gz YGOPAFVNHWVZFW-UHFFFAOYSA-N 1 2 283.331 1.528 20 30 CDEDLO COc1cccc2c1CC[N@H+](CC(=O)NC1(C#N)CCC1)C2 ZINC000527135910 330225737 /nfs/dbraw/zinc/22/57/37/330225737.db2.gz RGNVWVQMVLHDOP-UHFFFAOYSA-N 1 2 299.374 1.616 20 30 CDEDLO COc1cccc2c1CC[N@@H+](CC(=O)NC1(C#N)CCC1)C2 ZINC000527135910 330225738 /nfs/dbraw/zinc/22/57/38/330225738.db2.gz RGNVWVQMVLHDOP-UHFFFAOYSA-N 1 2 299.374 1.616 20 30 CDEDLO C[C@H]1CC(F)(F)CC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000528763991 330257823 /nfs/dbraw/zinc/25/78/23/330257823.db2.gz CIUMACRANJEWCF-GXFFZTMASA-N 1 2 285.338 1.914 20 30 CDEDLO C[C@H]1CC(F)(F)CC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000528763991 330257824 /nfs/dbraw/zinc/25/78/24/330257824.db2.gz CIUMACRANJEWCF-GXFFZTMASA-N 1 2 285.338 1.914 20 30 CDEDLO N#CCC1(O)C[NH+](CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000424135027 330267933 /nfs/dbraw/zinc/26/79/33/330267933.db2.gz LTWJFJFZXOWRMM-UHFFFAOYSA-N 1 2 295.289 1.254 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCCCC#N ZINC000434177013 330636640 /nfs/dbraw/zinc/63/66/40/330636640.db2.gz JUENXLNUASEHEM-ZDUSSCGKSA-N 1 2 282.388 1.042 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000450118132 330962409 /nfs/dbraw/zinc/96/24/09/330962409.db2.gz MIIQYNMIQDHARL-AWEZNQCLSA-N 1 2 296.411 1.148 20 30 CDEDLO C=CCC[C@H](CO)Nc1cc(NCCCC)[nH+]c(N)n1 ZINC000450906957 331006347 /nfs/dbraw/zinc/00/63/47/331006347.db2.gz FVVGQMNZWGTFOP-LLVKDONJSA-N 1 2 279.388 1.262 20 30 CDEDLO C=CCC[C@H](CO)Nc1cc(NCCCC)nc(N)[nH+]1 ZINC000450906957 331006348 /nfs/dbraw/zinc/00/63/48/331006348.db2.gz FVVGQMNZWGTFOP-LLVKDONJSA-N 1 2 279.388 1.262 20 30 CDEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000452649760 331071035 /nfs/dbraw/zinc/07/10/35/331071035.db2.gz YAVSMHWLCBOTBR-CYBMUJFWSA-N 1 2 293.754 1.675 20 30 CDEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000452649760 331071036 /nfs/dbraw/zinc/07/10/36/331071036.db2.gz YAVSMHWLCBOTBR-CYBMUJFWSA-N 1 2 293.754 1.675 20 30 CDEDLO C=C(C)CCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000454708921 331151978 /nfs/dbraw/zinc/15/19/78/331151978.db2.gz HCTGMIKWSYMZBP-ZDUSSCGKSA-N 1 2 274.368 1.926 20 30 CDEDLO C=CCCC1(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000456196819 331186284 /nfs/dbraw/zinc/18/62/84/331186284.db2.gz CSJOXWHXNMLPQB-OKILXGFUSA-N 1 2 278.396 1.712 20 30 CDEDLO C=CCCC1(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000456196819 331186285 /nfs/dbraw/zinc/18/62/85/331186285.db2.gz CSJOXWHXNMLPQB-OKILXGFUSA-N 1 2 278.396 1.712 20 30 CDEDLO N#CCc1cccc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000456213670 331186563 /nfs/dbraw/zinc/18/65/63/331186563.db2.gz IPUGVVCTIYVXBJ-IYBDPMFKSA-N 1 2 299.374 1.346 20 30 CDEDLO N#CCc1cccc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000456213670 331186564 /nfs/dbraw/zinc/18/65/64/331186564.db2.gz IPUGVVCTIYVXBJ-IYBDPMFKSA-N 1 2 299.374 1.346 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000456777568 331203104 /nfs/dbraw/zinc/20/31/04/331203104.db2.gz NEFWJRNYESNBFD-AWEZNQCLSA-N 1 2 285.347 1.929 20 30 CDEDLO C[C@H](NC(=O)NCC(C)(C)CC#N)[C@H](C)[NH+]1CCOCC1 ZINC000458336349 331249283 /nfs/dbraw/zinc/24/92/83/331249283.db2.gz LKGJVFFRPYIJSG-STQMWFEESA-N 1 2 296.415 1.335 20 30 CDEDLO Cc1cccc2nc(C[NH2+][C@@H]3CCC[C@@H]3C#N)cc(=O)n12 ZINC000459461749 331282690 /nfs/dbraw/zinc/28/26/90/331282690.db2.gz ISSBPWREUNJBAH-TZMCWYRMSA-N 1 2 282.347 1.785 20 30 CDEDLO C#CC[N@@H+](Cc1cn(C)nn1)[C@H]1CCc2ccccc21 ZINC000490839297 332119298 /nfs/dbraw/zinc/11/92/98/332119298.db2.gz IBMSHVPHIHTCKG-INIZCTEOSA-N 1 2 266.348 1.938 20 30 CDEDLO C#CC[N@H+](Cc1cn(C)nn1)[C@H]1CCc2ccccc21 ZINC000490839297 332119299 /nfs/dbraw/zinc/11/92/99/332119299.db2.gz IBMSHVPHIHTCKG-INIZCTEOSA-N 1 2 266.348 1.938 20 30 CDEDLO C#CC[N@H+](CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000491299066 332185196 /nfs/dbraw/zinc/18/51/96/332185196.db2.gz XYTMKWLMTCZLRI-AWEZNQCLSA-N 1 2 267.394 1.609 20 30 CDEDLO C#CC[N@@H+](CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000491299066 332185197 /nfs/dbraw/zinc/18/51/97/332185197.db2.gz XYTMKWLMTCZLRI-AWEZNQCLSA-N 1 2 267.394 1.609 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)CN(/C=C/c2ccccc2)C1=O ZINC000491340728 332193842 /nfs/dbraw/zinc/19/38/42/332193842.db2.gz ZSGPXWYZZFUTLM-PLSXKVAHSA-N 1 2 297.358 1.833 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)CN(/C=C/c2ccccc2)C1=O ZINC000491340728 332193843 /nfs/dbraw/zinc/19/38/43/332193843.db2.gz ZSGPXWYZZFUTLM-PLSXKVAHSA-N 1 2 297.358 1.833 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccsc1C(=O)OC ZINC000491372087 332199031 /nfs/dbraw/zinc/19/90/31/332199031.db2.gz HQRIZDSQJUKGKB-VIFPVBQESA-N 1 2 280.349 1.427 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccsc1C(=O)OC ZINC000491372087 332199032 /nfs/dbraw/zinc/19/90/32/332199032.db2.gz HQRIZDSQJUKGKB-VIFPVBQESA-N 1 2 280.349 1.427 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NCc1ccccc1C ZINC000491497420 332223909 /nfs/dbraw/zinc/22/39/09/332223909.db2.gz XZRIMBXTWNSFGA-OAHLLOKOSA-N 1 2 268.360 1.568 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCc1sccc1C)C1CC1 ZINC000491538000 332232923 /nfs/dbraw/zinc/23/29/23/332232923.db2.gz VXKDUZOALVVWOR-UHFFFAOYSA-N 1 2 262.378 1.770 20 30 CDEDLO C#CC[N@H+](CC(=O)NCc1sccc1C)C1CC1 ZINC000491538000 332232924 /nfs/dbraw/zinc/23/29/24/332232924.db2.gz VXKDUZOALVVWOR-UHFFFAOYSA-N 1 2 262.378 1.770 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000491635631 332256710 /nfs/dbraw/zinc/25/67/10/332256710.db2.gz KWHJXAZTLOCPLT-JTQLQIEISA-N 1 2 259.309 1.117 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCC1(c2ccccc2)CC1)C1CC1 ZINC000491683399 332285896 /nfs/dbraw/zinc/28/58/96/332285896.db2.gz YLKLPEKTBLAEKG-UHFFFAOYSA-N 1 2 282.387 1.932 20 30 CDEDLO C#CC[N@H+](CC(=O)NCC1(c2ccccc2)CC1)C1CC1 ZINC000491683399 332285897 /nfs/dbraw/zinc/28/58/97/332285897.db2.gz YLKLPEKTBLAEKG-UHFFFAOYSA-N 1 2 282.387 1.932 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000491736947 332317043 /nfs/dbraw/zinc/31/70/43/332317043.db2.gz DULAEWCSSSYITQ-CHWSQXEVSA-N 1 2 256.349 1.918 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000491736947 332317044 /nfs/dbraw/zinc/31/70/44/332317044.db2.gz DULAEWCSSSYITQ-CHWSQXEVSA-N 1 2 256.349 1.918 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1cscn1 ZINC000493313956 332435076 /nfs/dbraw/zinc/43/50/76/332435076.db2.gz CLAZYUMALSRITA-QMAVJUDZSA-N 1 2 264.354 1.116 20 30 CDEDLO C=CCNC(=O)c1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000493640359 332448176 /nfs/dbraw/zinc/44/81/76/332448176.db2.gz HFSNYJNLKPWUMZ-FPLPWBNLSA-N 1 2 296.330 1.977 20 30 CDEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(CCC#N)CC1 ZINC000516929435 333086674 /nfs/dbraw/zinc/08/66/74/333086674.db2.gz ZMUWIKLJRNMULK-AWEZNQCLSA-N 1 2 279.384 1.249 20 30 CDEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC(CCC#N)CC1 ZINC000516929435 333086675 /nfs/dbraw/zinc/08/66/75/333086675.db2.gz ZMUWIKLJRNMULK-AWEZNQCLSA-N 1 2 279.384 1.249 20 30 CDEDLO C=CCCO[C@@H](C)c1nc([C@@H]2C[N@H+](C)CCN2C)no1 ZINC000547201985 334072705 /nfs/dbraw/zinc/07/27/05/334072705.db2.gz CZARIFVVTHINCO-RYUDHWBXSA-N 1 2 280.372 1.642 20 30 CDEDLO C=CCCO[C@@H](C)c1nc([C@@H]2C[N@@H+](C)CCN2C)no1 ZINC000547201985 334072707 /nfs/dbraw/zinc/07/27/07/334072707.db2.gz CZARIFVVTHINCO-RYUDHWBXSA-N 1 2 280.372 1.642 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1cnc(C)s1 ZINC000077185441 334097740 /nfs/dbraw/zinc/09/77/40/334097740.db2.gz XNENMMATPRSTPK-LLVKDONJSA-N 1 2 294.424 1.892 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1cnc(C)s1 ZINC000077185441 334097741 /nfs/dbraw/zinc/09/77/41/334097741.db2.gz XNENMMATPRSTPK-LLVKDONJSA-N 1 2 294.424 1.892 20 30 CDEDLO N#CCc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000548310501 334150230 /nfs/dbraw/zinc/15/02/30/334150230.db2.gz XADAKEGPDYCBLE-CQSZACIVSA-N 1 2 280.331 1.694 20 30 CDEDLO Cc1ccc(OCC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000565809825 334598767 /nfs/dbraw/zinc/59/87/67/334598767.db2.gz YRIKNIFHXZGIEP-OAHLLOKOSA-N 1 2 275.352 1.334 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000565836874 334601810 /nfs/dbraw/zinc/60/18/10/334601810.db2.gz VLHRMNJZJKBTRN-IPYPFGDCSA-N 1 2 277.368 1.932 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1ccccc1F ZINC000566428543 334648064 /nfs/dbraw/zinc/64/80/64/334648064.db2.gz IDOSFVKMJJSZDP-GFCCVEGCSA-N 1 2 263.316 1.724 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000577497445 335359703 /nfs/dbraw/zinc/35/97/03/335359703.db2.gz YVQIQSXPAGPSHP-GUTXKFCHSA-N 1 2 272.352 1.145 20 30 CDEDLO CCCc1ncc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)s1 ZINC000577694019 335389493 /nfs/dbraw/zinc/38/94/93/335389493.db2.gz YCTZWTFFCAWAAZ-ZDUSSCGKSA-N 1 2 280.397 1.669 20 30 CDEDLO C=C1CC(C(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3COCCOC)C1 ZINC001270591673 1160113340 /nfs/dbraw/zinc/11/33/40/1160113340.db2.gz FBDWULZNSUHXNF-GJZGRUSLSA-N 1 2 294.395 1.248 20 30 CDEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000677048245 482460150 /nfs/dbraw/zinc/46/01/50/482460150.db2.gz RPDQOZFIKSPLJI-ZIAGYGMSSA-N 1 2 264.369 1.112 20 30 CDEDLO C=CCCn1cc(C[NH+]2CC(C(C)(C)O)C2)nn1 ZINC000668232590 482215025 /nfs/dbraw/zinc/21/50/25/482215025.db2.gz YIKPQLJEIPYISL-UHFFFAOYSA-N 1 2 250.346 1.057 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](C)CSC ZINC001713448188 1178566407 /nfs/dbraw/zinc/56/64/07/1178566407.db2.gz UTXIYTHUXMIODC-VIFPVBQESA-N 1 2 264.822 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](C)CSC ZINC001713448188 1178566408 /nfs/dbraw/zinc/56/64/08/1178566408.db2.gz UTXIYTHUXMIODC-VIFPVBQESA-N 1 2 264.822 1.786 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccccn1 ZINC001755289779 1185891207 /nfs/dbraw/zinc/89/12/07/1185891207.db2.gz WDCNVEXCKLKURT-LLVKDONJSA-N 1 2 267.760 1.884 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccccn1 ZINC001755289779 1185891212 /nfs/dbraw/zinc/89/12/12/1185891212.db2.gz WDCNVEXCKLKURT-LLVKDONJSA-N 1 2 267.760 1.884 20 30 CDEDLO Cc1nc(N2CC(NC(=O)C3CCC3)C2)nc(N(C)C)[nH+]1 ZINC000330112757 534434972 /nfs/dbraw/zinc/43/49/72/534434972.db2.gz CGOUZHIGCCZOPY-UHFFFAOYSA-N 1 2 290.371 1.191 20 30 CDEDLO Cc1nc(N(C)C)nc(N2CC(NC(=O)C3CCC3)C2)[nH+]1 ZINC000330112757 534434976 /nfs/dbraw/zinc/43/49/76/534434976.db2.gz CGOUZHIGCCZOPY-UHFFFAOYSA-N 1 2 290.371 1.191 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000332217350 534754094 /nfs/dbraw/zinc/75/40/94/534754094.db2.gz ICRPYAABFXNSRR-SDDRHHMPSA-N 1 2 258.325 1.254 20 30 CDEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccncc1 ZINC000352702126 526325398 /nfs/dbraw/zinc/32/53/98/526325398.db2.gz RMKPUPXXZGQARG-UHFFFAOYSA-N 1 2 285.347 1.766 20 30 CDEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccncc1 ZINC000352702126 526325399 /nfs/dbraw/zinc/32/53/99/526325399.db2.gz RMKPUPXXZGQARG-UHFFFAOYSA-N 1 2 285.347 1.766 20 30 CDEDLO C=C(C)C[N@@H+](C)Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000353169589 526505186 /nfs/dbraw/zinc/50/51/86/526505186.db2.gz GJWCNUOKWUUZCZ-AWEZNQCLSA-N 1 2 297.424 1.425 20 30 CDEDLO C=C(C)C[N@H+](C)Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000353169589 526505193 /nfs/dbraw/zinc/50/51/93/526505193.db2.gz GJWCNUOKWUUZCZ-AWEZNQCLSA-N 1 2 297.424 1.425 20 30 CDEDLO C=CCOCC(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000354644145 526694885 /nfs/dbraw/zinc/69/48/85/526694885.db2.gz JIPJDHGPVXSLNY-UHFFFAOYSA-N 1 2 293.367 1.138 20 30 CDEDLO C=CCOCC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000347855143 526695403 /nfs/dbraw/zinc/69/54/03/526695403.db2.gz CIHTXSZBDDMKBU-UHFFFAOYSA-N 1 2 295.408 1.298 20 30 CDEDLO CC(C)(C#N)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000355875522 527483556 /nfs/dbraw/zinc/48/35/56/527483556.db2.gz BUPCRDBWMDNMDX-ZDUSSCGKSA-N 1 2 279.384 1.296 20 30 CDEDLO CC(C)(C#N)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000355875522 527483561 /nfs/dbraw/zinc/48/35/61/527483561.db2.gz BUPCRDBWMDNMDX-ZDUSSCGKSA-N 1 2 279.384 1.296 20 30 CDEDLO CC[C@H](C)c1nnc([C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)[nH]1 ZINC000330184454 529276789 /nfs/dbraw/zinc/27/67/89/529276789.db2.gz IMIASAWHWGDHEQ-DCAQKATOSA-N 1 2 295.387 1.666 20 30 CDEDLO CC[C@H](C)c1nnc([C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)[nH]1 ZINC000330184454 529276791 /nfs/dbraw/zinc/27/67/91/529276791.db2.gz IMIASAWHWGDHEQ-DCAQKATOSA-N 1 2 295.387 1.666 20 30 CDEDLO CC[C@H](C)c1nc([C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)n[nH]1 ZINC000330184454 529276793 /nfs/dbraw/zinc/27/67/93/529276793.db2.gz IMIASAWHWGDHEQ-DCAQKATOSA-N 1 2 295.387 1.666 20 30 CDEDLO CC[C@H](C)c1nc([C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)n[nH]1 ZINC000330184454 529276795 /nfs/dbraw/zinc/27/67/95/529276795.db2.gz IMIASAWHWGDHEQ-DCAQKATOSA-N 1 2 295.387 1.666 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNc1nccc(C#N)c1Cl ZINC000342065422 535360977 /nfs/dbraw/zinc/36/09/77/535360977.db2.gz RHVGFZCNCZSALA-UHFFFAOYSA-N 1 2 294.786 1.551 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNc1nccc(C#N)c1Cl ZINC000342065422 535360980 /nfs/dbraw/zinc/36/09/80/535360980.db2.gz RHVGFZCNCZSALA-UHFFFAOYSA-N 1 2 294.786 1.551 20 30 CDEDLO C=CCNC(=S)N[NH+]=Cc1ccc(N(C)C)c(F)c1 ZINC000727648888 574593292 /nfs/dbraw/zinc/59/32/92/574593292.db2.gz VHAWEBVWICBEFH-UHFFFAOYSA-N 1 2 280.372 1.876 20 30 CDEDLO C=CCCON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000740872230 574736455 /nfs/dbraw/zinc/73/64/55/574736455.db2.gz JINJRSSLDPGWDJ-UHFFFAOYSA-N 1 2 289.379 1.732 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)/C=C/c1ccccc1C#N ZINC000729385642 574757146 /nfs/dbraw/zinc/75/71/46/574757146.db2.gz WSJLYCMKVPXSGV-PSKZRQQASA-N 1 2 299.374 1.408 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)/C=C/c1ccccc1C#N ZINC000729385642 574757151 /nfs/dbraw/zinc/75/71/51/574757151.db2.gz WSJLYCMKVPXSGV-PSKZRQQASA-N 1 2 299.374 1.408 20 30 CDEDLO C#CCC[NH+]1CCN(S(=O)(=O)C2CCCCC2)CC1 ZINC000731216870 575038344 /nfs/dbraw/zinc/03/83/44/575038344.db2.gz YPMNSEXLNTUSTK-UHFFFAOYSA-N 1 2 284.425 1.290 20 30 CDEDLO CCCCCCCC(=O)N1CC[NH2+]C[C@@H]1C(=O)OCC ZINC000116041279 1174963033 /nfs/dbraw/zinc/96/30/33/1174963033.db2.gz DQXHASRRDNVRLY-CYBMUJFWSA-N 1 2 284.400 1.710 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2nccnc2c1 ZINC000732058831 575077993 /nfs/dbraw/zinc/07/79/93/575077993.db2.gz HJOCHYRKRYQSKR-HNNXBMFYSA-N 1 2 280.331 1.666 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2nccnc2c1 ZINC000732058831 575077994 /nfs/dbraw/zinc/07/79/94/575077994.db2.gz HJOCHYRKRYQSKR-HNNXBMFYSA-N 1 2 280.331 1.666 20 30 CDEDLO N#Cc1ccccc1/C=C\C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000733983617 575151992 /nfs/dbraw/zinc/15/19/92/575151992.db2.gz NSVIGDKEVVCCSB-WAYWQWQTSA-N 1 2 278.315 1.851 20 30 CDEDLO C#CCOc1ccccc1CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000734178354 575160245 /nfs/dbraw/zinc/16/02/45/575160245.db2.gz WJBSYBIPSQEBOH-UHFFFAOYSA-N 1 2 269.304 1.660 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N(C)C1CCCCC1 ZINC000743855153 576658773 /nfs/dbraw/zinc/65/87/73/576658773.db2.gz ZSTVXNJDDJQWOU-UHFFFAOYSA-N 1 2 260.381 1.736 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N(C)C1CCCCC1 ZINC000743855153 576658775 /nfs/dbraw/zinc/65/87/75/576658775.db2.gz ZSTVXNJDDJQWOU-UHFFFAOYSA-N 1 2 260.381 1.736 20 30 CDEDLO Cc1cccc2[nH+]cc(CN=Nc3cnccn3)n21 ZINC000755633447 575408188 /nfs/dbraw/zinc/40/81/88/575408188.db2.gz FXRFFHKNKCONJT-UHFFFAOYSA-N 1 2 252.281 1.879 20 30 CDEDLO C1CC[C@H]2[NH+]=C(N=NC3CCCOCC3)N[C@@H]2C1 ZINC000770608772 575472603 /nfs/dbraw/zinc/47/26/03/575472603.db2.gz XYDJANCYTAWEOE-VXGBXAGGSA-N 1 2 250.346 1.403 20 30 CDEDLO C=CCNc1ncc(C(=O)N2CC[NH+](CCC)CC2)s1 ZINC000771003476 575528074 /nfs/dbraw/zinc/52/80/74/575528074.db2.gz ARYCKRNIEUROHV-UHFFFAOYSA-N 1 2 294.424 1.909 20 30 CDEDLO CC(=[NH+]OCC(N)=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000771574704 575592348 /nfs/dbraw/zinc/59/23/48/575592348.db2.gz NESKFGXISPEJHU-UHFFFAOYSA-N 1 2 276.123 1.802 20 30 CDEDLO C#CC[N@H+]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000772315432 575684501 /nfs/dbraw/zinc/68/45/01/575684501.db2.gz UAGUKCBNQQWQBQ-RYUDHWBXSA-N 1 2 252.358 1.949 20 30 CDEDLO C#CC[N@@H+]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000772315432 575684502 /nfs/dbraw/zinc/68/45/02/575684502.db2.gz UAGUKCBNQQWQBQ-RYUDHWBXSA-N 1 2 252.358 1.949 20 30 CDEDLO N#Cc1c2c(cn(C[NH+]3C4CCC3CC4)c1=O)CCC2 ZINC000766611174 576115708 /nfs/dbraw/zinc/11/57/08/576115708.db2.gz FLDTWVZZYRVPOL-UHFFFAOYSA-N 1 2 269.348 1.793 20 30 CDEDLO CCc1nnc(CO[NH+]=C(N)c2ccc(F)cc2)o1 ZINC000761732334 576590613 /nfs/dbraw/zinc/59/06/13/576590613.db2.gz BSFKPFSOIAWVIH-UHFFFAOYSA-N 1 2 264.260 1.608 20 30 CDEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)N(C)C(C)(C)C#N ZINC000745086500 576715268 /nfs/dbraw/zinc/71/52/68/576715268.db2.gz FYUGBEXOIFCIBZ-GFCCVEGCSA-N 1 2 295.383 1.165 20 30 CDEDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)N(C)C(C)(C)C#N ZINC000745086500 576715270 /nfs/dbraw/zinc/71/52/70/576715270.db2.gz FYUGBEXOIFCIBZ-GFCCVEGCSA-N 1 2 295.383 1.165 20 30 CDEDLO COCCC(N=NC1=[NH+][C@@H]2CCCC[C@H]2N1)C(C)C ZINC000753935258 576866934 /nfs/dbraw/zinc/86/69/34/576866934.db2.gz MYVKLLODGFXICU-CHWSQXEVSA-N 1 2 266.389 1.895 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)cn1 ZINC000747400758 576868532 /nfs/dbraw/zinc/86/85/32/576868532.db2.gz MSVXISCUIFHSHO-LBPRGKRZSA-N 1 2 268.320 1.326 20 30 CDEDLO CC(C)CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000754282685 576890111 /nfs/dbraw/zinc/89/01/11/576890111.db2.gz ZWHPGQCUEJWVQH-UHFFFAOYSA-N 1 2 291.395 1.812 20 30 CDEDLO CCc1nc([C@H](C)[NH2+]CC(=O)NCCC#N)cs1 ZINC000754793076 576915893 /nfs/dbraw/zinc/91/58/93/576915893.db2.gz SBVJIHLOAQNGFK-VIFPVBQESA-N 1 2 266.370 1.386 20 30 CDEDLO C[C@@H](CO)N[NH+]=Cc1sc(N2CCCC2)nc1Cl ZINC000749820408 576964590 /nfs/dbraw/zinc/96/45/90/576964590.db2.gz CTBORPBRBRGAQE-QMMMGPOBSA-N 1 2 288.804 1.701 20 30 CDEDLO C[C@H]1C[N@@H+](C2CC2)CC1=NNc1cnnc(O)c1Cl ZINC000755892272 576966440 /nfs/dbraw/zinc/96/64/40/576966440.db2.gz MTWFXFQNWSRVHL-ZETCQYMHSA-N 1 2 281.747 1.718 20 30 CDEDLO C[C@H]1C[N@H+](C2CC2)CC1=NNc1cnnc(O)c1Cl ZINC000755892272 576966441 /nfs/dbraw/zinc/96/64/41/576966441.db2.gz MTWFXFQNWSRVHL-ZETCQYMHSA-N 1 2 281.747 1.718 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@@H](NC(C)=O)C(C)(C)C1 ZINC000972701298 613235443 /nfs/dbraw/zinc/23/54/43/613235443.db2.gz BSPMGROXFALUJQ-SNVBAGLBSA-N 1 2 275.190 1.742 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(C)=O)C(C)(C)C1 ZINC000972701298 613235444 /nfs/dbraw/zinc/23/54/44/613235444.db2.gz BSPMGROXFALUJQ-SNVBAGLBSA-N 1 2 275.190 1.742 20 30 CDEDLO C=CCCC[N@@H+](C)Cc1nc(-c2nn[nH]n2)cs1 ZINC001602837681 1175428224 /nfs/dbraw/zinc/42/82/24/1175428224.db2.gz DMSDULKUHRSZCV-UHFFFAOYSA-N 1 2 264.358 1.721 20 30 CDEDLO C=CCCC[N@H+](C)Cc1nc(-c2nn[nH]n2)cs1 ZINC001602837681 1175428233 /nfs/dbraw/zinc/42/82/33/1175428233.db2.gz DMSDULKUHRSZCV-UHFFFAOYSA-N 1 2 264.358 1.721 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2nc3c(s2)CCC3)CC1 ZINC000981619201 613160309 /nfs/dbraw/zinc/16/03/09/613160309.db2.gz SMLHWSZDAPQKEM-UHFFFAOYSA-N 1 2 289.404 1.413 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2nc3c(s2)CCC3)CC1 ZINC000981619201 613160310 /nfs/dbraw/zinc/16/03/10/613160310.db2.gz SMLHWSZDAPQKEM-UHFFFAOYSA-N 1 2 289.404 1.413 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C(C)(C)C)C2)C1 ZINC000972435064 613212307 /nfs/dbraw/zinc/21/23/07/613212307.db2.gz LKHQPYOTGDDDKY-RHSMWYFYSA-N 1 2 292.423 1.605 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C(C)(C)C)C2)C1 ZINC000972435064 613212308 /nfs/dbraw/zinc/21/23/08/613212308.db2.gz LKHQPYOTGDDDKY-RHSMWYFYSA-N 1 2 292.423 1.605 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(OC)ns2)C1 ZINC000966196921 613219549 /nfs/dbraw/zinc/21/95/49/613219549.db2.gz JNADNRBIEVJLBE-GHMZBOCLSA-N 1 2 293.392 1.225 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(OC)ns2)C1 ZINC000966196921 613219551 /nfs/dbraw/zinc/21/95/51/613219551.db2.gz JNADNRBIEVJLBE-GHMZBOCLSA-N 1 2 293.392 1.225 20 30 CDEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccn[nH]1 ZINC000948894762 613279793 /nfs/dbraw/zinc/27/97/93/613279793.db2.gz PKKKRPKQVZBFFW-INIZCTEOSA-N 1 2 294.358 1.372 20 30 CDEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccn[nH]1 ZINC000948894762 613279794 /nfs/dbraw/zinc/27/97/94/613279794.db2.gz PKKKRPKQVZBFFW-INIZCTEOSA-N 1 2 294.358 1.372 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCO[C@H]2C)C1 ZINC000949966459 613294337 /nfs/dbraw/zinc/29/43/37/613294337.db2.gz VMDWDGVSSQPMQA-DZGCQCFKSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC000950989226 613294408 /nfs/dbraw/zinc/29/44/08/613294408.db2.gz IKKQJBROZRPWJQ-ZDUSSCGKSA-N 1 2 293.411 1.012 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCOC[C@H]2C)C1 ZINC000951700901 613294515 /nfs/dbraw/zinc/29/45/15/613294515.db2.gz OPGSNTXQCXLYPR-UKRRQHHQSA-N 1 2 280.412 1.768 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc(COC)o2)CC1 ZINC000949195776 613320308 /nfs/dbraw/zinc/32/03/08/613320308.db2.gz PKIFAXMITPCKFD-UHFFFAOYSA-N 1 2 278.352 1.760 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cccnc2C)CC1 ZINC000949944620 613321246 /nfs/dbraw/zinc/32/12/46/613321246.db2.gz YYZIEVZVTRTLOC-UHFFFAOYSA-N 1 2 259.353 1.724 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnc3cnccc3c2)CC1 ZINC000949317753 613321820 /nfs/dbraw/zinc/32/18/20/613321820.db2.gz GDKSTWQVCBKRCC-UHFFFAOYSA-N 1 2 296.374 1.964 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnc3c(c2)ncn3C)CC1 ZINC000949619900 613321861 /nfs/dbraw/zinc/32/18/61/613321861.db2.gz BZNCWBAVHPSJJS-UHFFFAOYSA-N 1 2 299.378 1.302 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2nccn3ccnc23)CC1 ZINC000950568311 613322318 /nfs/dbraw/zinc/32/23/18/613322318.db2.gz QCKJTLNALMKNIA-UHFFFAOYSA-N 1 2 285.351 1.063 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccn(C)n2)C1 ZINC000970880848 613371847 /nfs/dbraw/zinc/37/18/47/613371847.db2.gz QZZXHOXVFLHASV-SNVBAGLBSA-N 1 2 282.775 1.223 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(C)nn2)C1 ZINC000969637712 613371857 /nfs/dbraw/zinc/37/18/57/613371857.db2.gz KEUUHJMZIPAXGQ-LLVKDONJSA-N 1 2 294.786 1.588 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cncn2C)C1 ZINC000967263947 613375573 /nfs/dbraw/zinc/37/55/73/613375573.db2.gz CRPHHWUPERMRIL-PWSUYJOCSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cncn2C)C1 ZINC000967263947 613375574 /nfs/dbraw/zinc/37/55/74/613375574.db2.gz CRPHHWUPERMRIL-PWSUYJOCSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C1CCC(C(=O)N(CC)C2C[NH+](CCOC)C2)CC1 ZINC000951608463 613403657 /nfs/dbraw/zinc/40/36/57/613403657.db2.gz BIDAOTUKUDLQRS-UHFFFAOYSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CCCN1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000957353909 613512474 /nfs/dbraw/zinc/51/24/74/613512474.db2.gz KJMAHXJNNQFBMC-UHFFFAOYSA-N 1 2 288.395 1.482 20 30 CDEDLO CC#CCN1CC([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000970061124 613533885 /nfs/dbraw/zinc/53/38/85/613533885.db2.gz WJNFFFRRMBOJMV-CYBMUJFWSA-N 1 2 296.374 1.408 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC2(F)F)C1 ZINC000950601783 613653449 /nfs/dbraw/zinc/65/34/49/613653449.db2.gz VOAWQGSBNVITQH-NSHDSACASA-N 1 2 258.312 1.750 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCO[C@H]2C)C1 ZINC000957043454 613654228 /nfs/dbraw/zinc/65/42/28/613654228.db2.gz AHTMUTXULPIKJY-WCQYABFASA-N 1 2 252.358 1.130 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCC[C@H]2OC)CC1 ZINC000957861028 613712941 /nfs/dbraw/zinc/71/29/41/613712941.db2.gz IBUXTBKCNHAZHK-UONOGXRCSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2nccc3[nH]ccc32)CC1 ZINC000950570407 613719049 /nfs/dbraw/zinc/71/90/49/613719049.db2.gz KKMKKZOMYRJSGX-UHFFFAOYSA-N 1 2 270.336 1.507 20 30 CDEDLO CC(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930746852 617528549 /nfs/dbraw/zinc/52/85/49/617528549.db2.gz GFJPBBKYUNHDFV-AWEZNQCLSA-N 1 2 277.755 1.922 20 30 CDEDLO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930746852 617528551 /nfs/dbraw/zinc/52/85/51/617528551.db2.gz GFJPBBKYUNHDFV-AWEZNQCLSA-N 1 2 277.755 1.922 20 30 CDEDLO Cc1cc(C#N)nc(N(C)CC[NH+]2CCOCC2)c1 ZINC000892285777 617694809 /nfs/dbraw/zinc/69/48/09/617694809.db2.gz XQOXXFNMIWHYPS-UHFFFAOYSA-N 1 2 260.341 1.030 20 30 CDEDLO Cc1[nH]ncc1C[NH2+]CCNc1ccc(C#N)cn1 ZINC000897398307 620705523 /nfs/dbraw/zinc/70/55/23/620705523.db2.gz AEQGQLRFLYPTAR-UHFFFAOYSA-N 1 2 256.313 1.187 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000892839947 617813350 /nfs/dbraw/zinc/81/33/50/617813350.db2.gz XELBOJWKUSZTME-QLFBSQMISA-N 1 2 293.411 1.293 20 30 CDEDLO N#Cc1ccc(NCC2([NH+]3CCOCC3)CC2)c(CO)c1 ZINC000893513069 618014630 /nfs/dbraw/zinc/01/46/30/618014630.db2.gz OKXPGKJNTUXQQC-UHFFFAOYSA-N 1 2 287.363 1.327 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(=O)OC ZINC000894192251 618678413 /nfs/dbraw/zinc/67/84/13/618678413.db2.gz IZZATGOIYBSZSE-XDSHMYFISA-N 1 2 295.379 1.134 20 30 CDEDLO C#CCSCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000896132330 620002461 /nfs/dbraw/zinc/00/24/61/620002461.db2.gz HRMDUCYDOHQRQH-NSHDSACASA-N 1 2 263.366 1.482 20 30 CDEDLO C#CCSCC(=O)NCCCCNc1cccc[nH+]1 ZINC000896182090 620017086 /nfs/dbraw/zinc/01/70/86/620017086.db2.gz NUEPPAFZUXKQLG-UHFFFAOYSA-N 1 2 277.393 1.756 20 30 CDEDLO Cc1cn(C(C)(C)C(=O)Nc2ccn(CCC#N)n2)c[nH+]1 ZINC000896439091 620098681 /nfs/dbraw/zinc/09/86/81/620098681.db2.gz FTQKSVGCOUJGSD-UHFFFAOYSA-N 1 2 286.339 1.676 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000896528198 620123943 /nfs/dbraw/zinc/12/39/43/620123943.db2.gz HHZUGKKHMXJRHG-ZFWWWQNUSA-N 1 2 279.428 1.483 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC000896528198 620123944 /nfs/dbraw/zinc/12/39/44/620123944.db2.gz HHZUGKKHMXJRHG-ZFWWWQNUSA-N 1 2 279.428 1.483 20 30 CDEDLO C=C1C[NH+](C[C@@H](O)COc2cccc3[nH]ccc32)C1 ZINC000899900927 622517463 /nfs/dbraw/zinc/51/74/63/622517463.db2.gz YNDIVFXGTMUQBI-GFCCVEGCSA-N 1 2 258.321 1.779 20 30 CDEDLO Cn1cncc1/C=C1\CC/C(=C\c2c[nH+]cn2C)C1=O ZINC000901417713 624229062 /nfs/dbraw/zinc/22/90/62/624229062.db2.gz UEUMSUSKFVGWRF-YDWXAUTNSA-N 1 2 268.320 1.984 20 30 CDEDLO Cn1cncc1/C=C1\COC/C(=C/c2c[nH+]cn2C)C1=O ZINC000901478763 624267925 /nfs/dbraw/zinc/26/79/25/624267925.db2.gz AWOVYXFOYKYRNS-XPWJWFAVSA-N 1 2 284.319 1.220 20 30 CDEDLO Cn1cncc1/C=C1/COC/C(=C\c2c[nH+]cn2C)C1=O ZINC000901478763 624267926 /nfs/dbraw/zinc/26/79/26/624267926.db2.gz AWOVYXFOYKYRNS-XPWJWFAVSA-N 1 2 284.319 1.220 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cccc2c1OCCO2 ZINC000901707670 624423558 /nfs/dbraw/zinc/42/35/58/624423558.db2.gz YZJBHLNXZCZELM-GFCCVEGCSA-N 1 2 271.320 1.991 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000905047039 626385009 /nfs/dbraw/zinc/38/50/09/626385009.db2.gz WUIHSZMBLFYPJG-STQMWFEESA-N 1 2 263.341 1.371 20 30 CDEDLO COc1ncc(NC(=O)C[C@H](C)n2cc[nH+]c2)cc1C#N ZINC000906144582 627133683 /nfs/dbraw/zinc/13/36/83/627133683.db2.gz ABCWUDOXLQOTML-JTQLQIEISA-N 1 2 285.307 1.748 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)/C=C\c1ccccc1C#N ZINC000915626868 631781182 /nfs/dbraw/zinc/78/11/82/631781182.db2.gz ZDTDUZFIHUSLLM-LMVHVUTASA-N 1 2 299.374 1.408 20 30 CDEDLO C[S@](=O)c1c[nH]c2nc[nH+]c(NCC(C)(C)S)c12 ZINC001170301833 1162328323 /nfs/dbraw/zinc/32/83/23/1162328323.db2.gz FVGOTMUEZOSAFU-SFHVURJKSA-N 1 2 284.410 1.816 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cocc2C)[C@@H](O)C1 ZINC001090491512 1162693900 /nfs/dbraw/zinc/69/39/00/1162693900.db2.gz CDQGNZRBMRAMTR-OLZOCXBDSA-N 1 2 298.770 1.506 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cocc2C)[C@@H](O)C1 ZINC001090491512 1162693902 /nfs/dbraw/zinc/69/39/02/1162693902.db2.gz CDQGNZRBMRAMTR-OLZOCXBDSA-N 1 2 298.770 1.506 20 30 CDEDLO N#Cc1ccc(CCNc2cc3c(c[nH+]2)OCC(=O)N3)cc1 ZINC001167676835 1159340444 /nfs/dbraw/zinc/34/04/44/1159340444.db2.gz KRRALQFZCJOGBP-UHFFFAOYSA-N 1 2 294.314 1.939 20 30 CDEDLO C=C(Cl)C[NH2+]CCCNC(=O)C(F)C(F)(F)F ZINC001158471517 1163070123 /nfs/dbraw/zinc/07/01/23/1163070123.db2.gz LDQKPUGDJGZIDM-SSDOTTSWSA-N 1 2 276.661 1.735 20 30 CDEDLO C=C(Cl)C[NH2+]CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001158471517 1163070130 /nfs/dbraw/zinc/07/01/30/1163070130.db2.gz LDQKPUGDJGZIDM-SSDOTTSWSA-N 1 2 276.661 1.735 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C[C@@H]2CC=CCC2)C1 ZINC001753650868 1159869944 /nfs/dbraw/zinc/86/99/44/1159869944.db2.gz BJAUHCQINUKWTH-HUUCEWRRSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C[C@@H]2CC=CCC2)C1 ZINC001753650868 1159869956 /nfs/dbraw/zinc/86/99/56/1159869956.db2.gz BJAUHCQINUKWTH-HUUCEWRRSA-N 1 2 278.396 1.736 20 30 CDEDLO C=C1CC(C(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3COCCOC)C1 ZINC001270591673 1160113337 /nfs/dbraw/zinc/11/33/37/1160113337.db2.gz FBDWULZNSUHXNF-GJZGRUSLSA-N 1 2 294.395 1.248 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(=O)C(C)(C)C)CC[C@@H]1C ZINC001131935541 1163123808 /nfs/dbraw/zinc/12/38/08/1163123808.db2.gz VVSFBGOUFRQDGS-RYUDHWBXSA-N 1 2 264.369 1.204 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(=O)C(C)(C)C)CC[C@@H]1C ZINC001131935541 1163123812 /nfs/dbraw/zinc/12/38/12/1163123812.db2.gz VVSFBGOUFRQDGS-RYUDHWBXSA-N 1 2 264.369 1.204 20 30 CDEDLO Cc1nc(N(C)C[C@H](C)NC(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001108911333 1162023744 /nfs/dbraw/zinc/02/37/44/1162023744.db2.gz HFKQUBBOALDQLZ-JTQLQIEISA-N 1 2 298.350 1.240 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001113243147 1162138924 /nfs/dbraw/zinc/13/89/24/1162138924.db2.gz FNOOTXQTQGJQAN-OAHLLOKOSA-N 1 2 290.411 1.630 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCCc2nc(C)no2)CC1 ZINC001113630931 1162243739 /nfs/dbraw/zinc/24/37/39/1162243739.db2.gz QWXOCUDAPAFRNK-UHFFFAOYSA-N 1 2 278.356 1.031 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2nc(CC)no2)cc1 ZINC001132227030 1163209043 /nfs/dbraw/zinc/20/90/43/1163209043.db2.gz ZROFZTDQFVFXQI-UHFFFAOYSA-N 1 2 298.346 1.133 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001132668056 1163433382 /nfs/dbraw/zinc/43/33/82/1163433382.db2.gz ZSHQAFSBFYTWKM-QWRGUYRKSA-N 1 2 280.372 1.747 20 30 CDEDLO CCN1C[C@@H](C)[N@H+](Cc2ccc(OCC#N)cc2)CC1=O ZINC001137121369 1166051233 /nfs/dbraw/zinc/05/12/33/1166051233.db2.gz HRNNWIHQQMMNCM-CYBMUJFWSA-N 1 2 287.363 1.642 20 30 CDEDLO CCN1C[C@@H](C)[N@@H+](Cc2ccc(OCC#N)cc2)CC1=O ZINC001137121369 1166051236 /nfs/dbraw/zinc/05/12/36/1166051236.db2.gz HRNNWIHQQMMNCM-CYBMUJFWSA-N 1 2 287.363 1.642 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)CN[C@H](c1ccccc1)C(F)F ZINC001646517284 1167895044 /nfs/dbraw/zinc/89/50/44/1167895044.db2.gz RJSTVHKOLZQEEX-UONOGXRCSA-N 1 2 297.349 1.789 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)CN[C@H](c1ccccc1)C(F)F ZINC001646517284 1167895047 /nfs/dbraw/zinc/89/50/47/1167895047.db2.gz RJSTVHKOLZQEEX-UONOGXRCSA-N 1 2 297.349 1.789 20 30 CDEDLO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001591485535 1173662065 /nfs/dbraw/zinc/66/20/65/1173662065.db2.gz IWKLQOYMLJLNDJ-HNNXBMFYSA-N 1 2 298.350 1.611 20 30 CDEDLO COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001591485535 1173662068 /nfs/dbraw/zinc/66/20/68/1173662068.db2.gz IWKLQOYMLJLNDJ-HNNXBMFYSA-N 1 2 298.350 1.611 20 30 CDEDLO Cn1c[nH+]cc1CCC[NH+]1CCC(C#N)(C(=O)[O-])CC1 ZINC001600993572 1174696774 /nfs/dbraw/zinc/69/67/74/1174696774.db2.gz UHLVKAIITCHQTN-UHFFFAOYSA-N 1 2 276.340 1.043 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001713085206 1178359903 /nfs/dbraw/zinc/35/99/03/1178359903.db2.gz BMBDPRVCGHEQEV-GFCCVEGCSA-N 1 2 276.384 1.323 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001713085206 1178359909 /nfs/dbraw/zinc/35/99/09/1178359909.db2.gz BMBDPRVCGHEQEV-GFCCVEGCSA-N 1 2 276.384 1.323 20 30 CDEDLO C#CCCCCC(=O)NCC[N@@H+](C)Cc1ccns1 ZINC001753046362 1185014763 /nfs/dbraw/zinc/01/47/63/1185014763.db2.gz TXUCQBKSMLGSRE-UHFFFAOYSA-N 1 2 279.409 1.885 20 30 CDEDLO C#CCCCCC(=O)NCC[N@H+](C)Cc1ccns1 ZINC001753046362 1185014770 /nfs/dbraw/zinc/01/47/70/1185014770.db2.gz TXUCQBKSMLGSRE-UHFFFAOYSA-N 1 2 279.409 1.885 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)C1CCCC1 ZINC001753070051 1185036301 /nfs/dbraw/zinc/03/63/01/1185036301.db2.gz UIIVSMBGSAKMEJ-CYBMUJFWSA-N 1 2 295.427 1.163 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H](C)C1CCCC1 ZINC001753070051 1185036307 /nfs/dbraw/zinc/03/63/07/1185036307.db2.gz UIIVSMBGSAKMEJ-CYBMUJFWSA-N 1 2 295.427 1.163 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)CCc2cccc(F)c2F)C1 ZINC001753395073 1185184261 /nfs/dbraw/zinc/18/42/61/1185184261.db2.gz WULDYWSMQXMXFE-UHFFFAOYSA-N 1 2 292.329 1.721 20 30 CDEDLO C=CCCC(=O)NCC1C[NH+](CC(=O)N[C@H](C)C(C)C)C1 ZINC001753397834 1185184992 /nfs/dbraw/zinc/18/49/92/1185184992.db2.gz VPSOJDKJTVMDDL-CYBMUJFWSA-N 1 2 295.427 1.161 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2(C)CC(=C)C2)C1 ZINC001753652673 1185288693 /nfs/dbraw/zinc/28/86/93/1185288693.db2.gz LULNQXBKCQSCTP-ZDUSSCGKSA-N 1 2 264.369 1.346 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C2(C)CC(=C)C2)C1 ZINC001753652673 1185288703 /nfs/dbraw/zinc/28/87/03/1185288703.db2.gz LULNQXBKCQSCTP-ZDUSSCGKSA-N 1 2 264.369 1.346 20 30 CDEDLO C#CCCCCC(=O)N[C@H](C)C[NH2+][C@@H](C)c1csnn1 ZINC001754223654 1185515701 /nfs/dbraw/zinc/51/57/01/1185515701.db2.gz GCYNZQHYIJNKJV-NEPJUHHUSA-N 1 2 294.424 1.887 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)Cc1cc(F)ccc1OC ZINC001754497546 1185643947 /nfs/dbraw/zinc/64/39/47/1185643947.db2.gz NIPNJKZNOFRFAE-CQSZACIVSA-N 1 2 290.338 1.201 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1cc(F)ccc1OC ZINC001754497546 1185643949 /nfs/dbraw/zinc/64/39/49/1185643949.db2.gz NIPNJKZNOFRFAE-CQSZACIVSA-N 1 2 290.338 1.201 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H](C)[C@H]2CCCO2)C1 ZINC001754585814 1185674413 /nfs/dbraw/zinc/67/44/13/1185674413.db2.gz DAVDPJQUJSHYPE-TZMCWYRMSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)CCCc2nc(CC)no2)C1 ZINC001754586191 1185674691 /nfs/dbraw/zinc/67/46/91/1185674691.db2.gz HJYCUTNBADWHIW-UHFFFAOYSA-N 1 2 292.383 1.283 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nnc(C)o1 ZINC001755259053 1185879447 /nfs/dbraw/zinc/87/94/47/1185879447.db2.gz YWQKSTBDWSDSQX-MNOVXSKESA-N 1 2 294.399 1.963 20 30 CDEDLO C#CC[NH2+]CCC[C@@H](C)NC(=O)c1cncc2nc[nH]c21 ZINC001755500363 1185972597 /nfs/dbraw/zinc/97/25/97/1185972597.db2.gz IWICABPSFKIJAK-LLVKDONJSA-N 1 2 285.351 1.079 20 30 CDEDLO C[C@@H](CCCNCC#N)NC(=O)c1cccc2[nH+]ccn21 ZINC001755504382 1185973877 /nfs/dbraw/zinc/97/38/77/1185973877.db2.gz LVOOQLSJPCEHCQ-LBPRGKRZSA-N 1 2 285.351 1.346 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cncc(C)c1 ZINC001050859724 790266585 /nfs/dbraw/zinc/26/65/85/790266585.db2.gz UYUHFUQIFGODBD-HNNXBMFYSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cncc(C)c1 ZINC001050859724 790266594 /nfs/dbraw/zinc/26/65/94/790266594.db2.gz UYUHFUQIFGODBD-HNNXBMFYSA-N 1 2 289.379 1.397 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(CC)n[nH]2)C1 ZINC001042491208 790279706 /nfs/dbraw/zinc/27/97/06/790279706.db2.gz VCCCFZYTKSACAS-UHFFFAOYSA-N 1 2 262.357 1.304 20 30 CDEDLO C#CCCCCNc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000840274641 790287397 /nfs/dbraw/zinc/28/73/97/790287397.db2.gz FKWLGGFVRLMYQU-KGLIPLIRSA-N 1 2 288.395 1.899 20 30 CDEDLO C#CCCCCNc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000840274641 790287406 /nfs/dbraw/zinc/28/74/06/790287406.db2.gz FKWLGGFVRLMYQU-KGLIPLIRSA-N 1 2 288.395 1.899 20 30 CDEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+]2C[C@H](F)CC)nn1 ZINC001038792894 790304194 /nfs/dbraw/zinc/30/41/94/790304194.db2.gz ZDMOQVPICYJZHG-VXGBXAGGSA-N 1 2 295.362 1.016 20 30 CDEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+]2C[C@H](F)CC)nn1 ZINC001038792894 790304201 /nfs/dbraw/zinc/30/42/01/790304201.db2.gz ZDMOQVPICYJZHG-VXGBXAGGSA-N 1 2 295.362 1.016 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCOC[C@H]2C)C1 ZINC001030917683 790309892 /nfs/dbraw/zinc/30/98/92/790309892.db2.gz GICQPPHWBBIQEU-DGCLKSJQSA-N 1 2 252.358 1.036 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2cccn2)C1 ZINC001006746285 790313291 /nfs/dbraw/zinc/31/32/91/790313291.db2.gz RJSCKPWNULZUHT-LBPRGKRZSA-N 1 2 282.775 1.216 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2cccn2)C1 ZINC001006746285 790313298 /nfs/dbraw/zinc/31/32/98/790313298.db2.gz RJSCKPWNULZUHT-LBPRGKRZSA-N 1 2 282.775 1.216 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)OCc1cccc2[nH+]ccn21 ZINC000835236569 790389806 /nfs/dbraw/zinc/38/98/06/790389806.db2.gz LGHVIVUSJMSLAJ-OLZOCXBDSA-N 1 2 272.304 1.969 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)n[nH]1 ZINC001050830048 790468352 /nfs/dbraw/zinc/46/83/52/790468352.db2.gz ICMBGUDRDQJBHU-ZDUSSCGKSA-N 1 2 292.383 1.115 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)n[nH]1 ZINC001050830048 790468361 /nfs/dbraw/zinc/46/83/61/790468361.db2.gz ICMBGUDRDQJBHU-ZDUSSCGKSA-N 1 2 292.383 1.115 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]ccc2n1 ZINC001038513223 790473363 /nfs/dbraw/zinc/47/33/63/790473363.db2.gz NPQKYJYKNLHWGM-GFCCVEGCSA-N 1 2 282.347 1.390 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]ccc2n1 ZINC001038513223 790473385 /nfs/dbraw/zinc/47/33/85/790473385.db2.gz NPQKYJYKNLHWGM-GFCCVEGCSA-N 1 2 282.347 1.390 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2c(CC)noc2CC)C1 ZINC001030457424 790640613 /nfs/dbraw/zinc/64/06/13/790640613.db2.gz ZRUPSBRJPQWHIN-UHFFFAOYSA-N 1 2 289.379 1.166 20 30 CDEDLO C=C[C@@H](O)C(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000823224393 790681179 /nfs/dbraw/zinc/68/11/79/790681179.db2.gz LODJLFQLQKHOEZ-SNVBAGLBSA-N 1 2 269.370 1.470 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccnc2C(F)(F)F)C1 ZINC001031010904 790827383 /nfs/dbraw/zinc/82/73/83/790827383.db2.gz QTHQVXBAWANKAC-UHFFFAOYSA-N 1 2 297.280 1.538 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cc(-c3ccccn3)no2)C1 ZINC001015906841 790859465 /nfs/dbraw/zinc/85/94/65/790859465.db2.gz BCYLGPPWVHGAKH-LBPRGKRZSA-N 1 2 296.330 1.174 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(-c3ccccn3)no2)C1 ZINC001015906841 790859469 /nfs/dbraw/zinc/85/94/69/790859469.db2.gz BCYLGPPWVHGAKH-LBPRGKRZSA-N 1 2 296.330 1.174 20 30 CDEDLO C=CCN1CC[C@H](O[NH+]=C(N)c2ccccc2)C1=O ZINC000883048494 790897308 /nfs/dbraw/zinc/89/73/08/790897308.db2.gz PRJGMLRWKNTOQB-LBPRGKRZSA-N 1 2 259.309 1.320 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1cc(Br)nn1C ZINC000309199424 790910953 /nfs/dbraw/zinc/91/09/53/790910953.db2.gz QZLWFBQBGLOOBN-MRVPVSSYSA-N 1 2 271.162 1.964 20 30 CDEDLO C=CC[N@H+](CN1C[C@H]2CCCCN2C1=O)[C@H](C)COC ZINC000872624091 791295556 /nfs/dbraw/zinc/29/55/56/791295556.db2.gz HTROYDICXVDEAL-ZIAGYGMSSA-N 1 2 281.400 1.757 20 30 CDEDLO C=CC[N@@H+](CN1C[C@H]2CCCCN2C1=O)[C@H](C)COC ZINC000872624091 791295567 /nfs/dbraw/zinc/29/55/67/791295567.db2.gz HTROYDICXVDEAL-ZIAGYGMSSA-N 1 2 281.400 1.757 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn[nH]n2)CC1 ZINC001052519411 790980832 /nfs/dbraw/zinc/98/08/32/790980832.db2.gz XFJPTTFZRHNHFG-SNVBAGLBSA-N 1 2 283.763 1.142 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cn[nH]n2)CC1 ZINC001052519411 790980847 /nfs/dbraw/zinc/98/08/47/790980847.db2.gz XFJPTTFZRHNHFG-SNVBAGLBSA-N 1 2 283.763 1.142 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnn[nH]2)CC1 ZINC001052519411 790980857 /nfs/dbraw/zinc/98/08/57/790980857.db2.gz XFJPTTFZRHNHFG-SNVBAGLBSA-N 1 2 283.763 1.142 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnn[nH]2)CC1 ZINC001052519411 790980883 /nfs/dbraw/zinc/98/08/83/790980883.db2.gz XFJPTTFZRHNHFG-SNVBAGLBSA-N 1 2 283.763 1.142 20 30 CDEDLO C=C(C)CONC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000845603432 791008815 /nfs/dbraw/zinc/00/88/15/791008815.db2.gz KAEJSBOILUCPLH-LLVKDONJSA-N 1 2 264.329 1.427 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C)n1 ZINC001032285388 791009930 /nfs/dbraw/zinc/00/99/30/791009930.db2.gz KEVSBIRCHIFEKW-KBPBESRZSA-N 1 2 269.348 1.312 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C)n1 ZINC001032285388 791009941 /nfs/dbraw/zinc/00/99/41/791009941.db2.gz KEVSBIRCHIFEKW-KBPBESRZSA-N 1 2 269.348 1.312 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C=C(C)C)C[C@H]21 ZINC001074155002 791060293 /nfs/dbraw/zinc/06/02/93/791060293.db2.gz NCCHDGVKOQODDA-HUUCEWRRSA-N 1 2 276.380 1.278 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C=C(C)C)C[C@H]21 ZINC001074155002 791060302 /nfs/dbraw/zinc/06/03/02/791060302.db2.gz NCCHDGVKOQODDA-HUUCEWRRSA-N 1 2 276.380 1.278 20 30 CDEDLO C=C(C)C[NH+]1CC(CNC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001032180188 791077888 /nfs/dbraw/zinc/07/78/88/791077888.db2.gz OXCRMOHXYSHYJH-UHFFFAOYSA-N 1 2 285.351 1.196 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccncc2CC)C1 ZINC001030580456 791082457 /nfs/dbraw/zinc/08/24/57/791082457.db2.gz YDQKJQMZSOPPTG-UHFFFAOYSA-N 1 2 257.337 1.081 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(Cl)no2)CC1 ZINC000874264732 791093975 /nfs/dbraw/zinc/09/39/75/791093975.db2.gz XXMZWIKBSHAILM-UHFFFAOYSA-N 1 2 267.716 1.109 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC=CC1 ZINC001017430371 791113143 /nfs/dbraw/zinc/11/31/43/791113143.db2.gz QTBQZPMWNCLLPE-GASCZTMLSA-N 1 2 258.365 1.651 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC=CC1 ZINC001017430371 791113155 /nfs/dbraw/zinc/11/31/55/791113155.db2.gz QTBQZPMWNCLLPE-GASCZTMLSA-N 1 2 258.365 1.651 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001015821601 791136112 /nfs/dbraw/zinc/13/61/12/791136112.db2.gz XWQAOISRLMBTHW-FRRDWIJNSA-N 1 2 268.788 1.976 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001015821601 791136130 /nfs/dbraw/zinc/13/61/30/791136130.db2.gz XWQAOISRLMBTHW-FRRDWIJNSA-N 1 2 268.788 1.976 20 30 CDEDLO COc1cc(C#N)ccc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000935485671 789874396 /nfs/dbraw/zinc/87/43/96/789874396.db2.gz CCYHYHVMAITONL-LBPRGKRZSA-N 1 2 296.330 1.508 20 30 CDEDLO CCS(=O)(=O)CC[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000784208657 789891872 /nfs/dbraw/zinc/89/18/72/789891872.db2.gz RFYQILXPXUJLSU-UHFFFAOYSA-N 1 2 280.393 1.619 20 30 CDEDLO CCS(=O)(=O)CC[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000784208657 789891874 /nfs/dbraw/zinc/89/18/74/789891874.db2.gz RFYQILXPXUJLSU-UHFFFAOYSA-N 1 2 280.393 1.619 20 30 CDEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)CC3CC3)C2)CC1 ZINC001051965860 789913362 /nfs/dbraw/zinc/91/33/62/789913362.db2.gz DMXGIADMDOFMTK-MRXNPFEDSA-N 1 2 289.423 1.028 20 30 CDEDLO N#Cc1cncc(C[N@@H+]2CCOC3(CCOCC3)C2)c1 ZINC000929851561 789925153 /nfs/dbraw/zinc/92/51/53/789925153.db2.gz IIHSNVVEQFBIPB-UHFFFAOYSA-N 1 2 273.336 1.335 20 30 CDEDLO N#Cc1cncc(C[N@H+]2CCOC3(CCOCC3)C2)c1 ZINC000929851561 789925157 /nfs/dbraw/zinc/92/51/57/789925157.db2.gz IIHSNVVEQFBIPB-UHFFFAOYSA-N 1 2 273.336 1.335 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001030364949 789977225 /nfs/dbraw/zinc/97/72/25/789977225.db2.gz WSFLWXFVRUMNMW-AWEZNQCLSA-N 1 2 260.381 1.947 20 30 CDEDLO CC(=O)N1CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000157844851 789979705 /nfs/dbraw/zinc/97/97/05/789979705.db2.gz GVJQGUSGWGAUSD-CYBMUJFWSA-N 1 2 287.363 1.642 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(OC)n1 ZINC001017775591 789981791 /nfs/dbraw/zinc/98/17/91/789981791.db2.gz YDRWAOHUXWHBMO-PHIMTYICSA-N 1 2 277.324 1.158 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(OC)n1 ZINC001017775591 789981797 /nfs/dbraw/zinc/98/17/97/789981797.db2.gz YDRWAOHUXWHBMO-PHIMTYICSA-N 1 2 277.324 1.158 20 30 CDEDLO Cc1nc(N[C@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)cc[nH+]1 ZINC001067090045 789986907 /nfs/dbraw/zinc/98/69/07/789986907.db2.gz TVNSEGVLDZABMS-FZMZJTMJSA-N 1 2 284.363 1.457 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](C/C=C\Cl)CC2)cn1 ZINC000801553086 790037001 /nfs/dbraw/zinc/03/70/01/790037001.db2.gz NSWDPEUNMBBUGZ-RJRFIUFISA-N 1 2 262.744 1.828 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cc(C)nc1C ZINC001017751122 790039643 /nfs/dbraw/zinc/03/96/43/790039643.db2.gz BMDZGFAGNYGOEO-IYBDPMFKSA-N 1 2 297.402 1.929 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cc(C)nc1C ZINC001017751122 790039650 /nfs/dbraw/zinc/03/96/50/790039650.db2.gz BMDZGFAGNYGOEO-IYBDPMFKSA-N 1 2 297.402 1.929 20 30 CDEDLO CC[C@@H](C(N)=O)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879589838 790040524 /nfs/dbraw/zinc/04/05/24/790040524.db2.gz YRKIZMNOHJTVCC-ZDUSSCGKSA-N 1 2 290.342 1.083 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2cn(CC)nn2)CC1 ZINC001003863938 790042703 /nfs/dbraw/zinc/04/27/03/790042703.db2.gz DSMKKDMEHBAQSJ-UHFFFAOYSA-N 1 2 297.790 1.245 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccc3c2OCC3)C1 ZINC001043958121 790051582 /nfs/dbraw/zinc/05/15/82/790051582.db2.gz WPGPLEQDIWUBJL-UHFFFAOYSA-N 1 2 284.359 1.401 20 30 CDEDLO Cc1cc(C)c(C(=O)N2CCO[C@](C)(C#N)C2)c(C)[nH+]1 ZINC000887694864 790058795 /nfs/dbraw/zinc/05/87/95/790058795.db2.gz XQFSGEKBTXMNGM-OAHLLOKOSA-N 1 2 273.336 1.762 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)cc1 ZINC000305746963 790076345 /nfs/dbraw/zinc/07/63/45/790076345.db2.gz RDVKMWRAQXOGSX-WOSRLPQWSA-N 1 2 290.363 1.559 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)cc1 ZINC000305746963 790076358 /nfs/dbraw/zinc/07/63/58/790076358.db2.gz RDVKMWRAQXOGSX-WOSRLPQWSA-N 1 2 290.363 1.559 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn2cc(C)ccc2n1 ZINC001038401457 790128005 /nfs/dbraw/zinc/12/80/05/790128005.db2.gz UYSWDDQMPIPRCA-ZDUSSCGKSA-N 1 2 282.347 1.080 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn2cc(C)ccc2n1 ZINC001038401457 790128026 /nfs/dbraw/zinc/12/80/26/790128026.db2.gz UYSWDDQMPIPRCA-ZDUSSCGKSA-N 1 2 282.347 1.080 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C2Cc3ccccc3C2)C1 ZINC001043967912 790159514 /nfs/dbraw/zinc/15/95/14/790159514.db2.gz SWZZLVRWCUULKY-UHFFFAOYSA-N 1 2 270.376 1.730 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(F)F)nc1 ZINC001038335733 790181973 /nfs/dbraw/zinc/18/19/73/790181973.db2.gz NHZMNHPKOZRDDY-GFCCVEGCSA-N 1 2 293.317 1.847 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(F)F)nc1 ZINC001038335733 790181980 /nfs/dbraw/zinc/18/19/80/790181980.db2.gz NHZMNHPKOZRDDY-GFCCVEGCSA-N 1 2 293.317 1.847 20 30 CDEDLO COCc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000819479201 791160169 /nfs/dbraw/zinc/16/01/69/791160169.db2.gz ZAAHDHCWXHBFDN-OAHLLOKOSA-N 1 2 277.368 1.451 20 30 CDEDLO COCc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000819479201 791160175 /nfs/dbraw/zinc/16/01/75/791160175.db2.gz ZAAHDHCWXHBFDN-OAHLLOKOSA-N 1 2 277.368 1.451 20 30 CDEDLO C=C[C@H](C)ONC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000845630613 791214052 /nfs/dbraw/zinc/21/40/52/791214052.db2.gz SMUJHWLNMUBNAM-FRRDWIJNSA-N 1 2 278.356 1.982 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)OC[C@H]1Cc1ccccc1 ZINC000848484675 791228140 /nfs/dbraw/zinc/22/81/40/791228140.db2.gz CAUFNULPSCZGIK-DZGCQCFKSA-N 1 2 272.348 1.961 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)OC[C@H]1Cc1ccccc1 ZINC000848484675 791228147 /nfs/dbraw/zinc/22/81/47/791228147.db2.gz CAUFNULPSCZGIK-DZGCQCFKSA-N 1 2 272.348 1.961 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C)nc2OCC)C1 ZINC001031181729 791242022 /nfs/dbraw/zinc/24/20/22/791242022.db2.gz ZMIJTTQLQJYOKZ-UHFFFAOYSA-N 1 2 287.363 1.226 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2occc2CC)C1 ZINC001035503907 791259824 /nfs/dbraw/zinc/25/98/24/791259824.db2.gz XPADGDGDFRIKOS-AWEZNQCLSA-N 1 2 290.363 1.296 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2occc2CC)C1 ZINC001035503907 791259843 /nfs/dbraw/zinc/25/98/43/791259843.db2.gz XPADGDGDFRIKOS-AWEZNQCLSA-N 1 2 290.363 1.296 20 30 CDEDLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H](C)c2ccc(C#N)cc2)C1 ZINC000805470625 791263367 /nfs/dbraw/zinc/26/33/67/791263367.db2.gz RWMVHQAXNVRKMJ-IUODEOHRSA-N 1 2 288.347 1.883 20 30 CDEDLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H](C)c2ccc(C#N)cc2)C1 ZINC000805470625 791263378 /nfs/dbraw/zinc/26/33/78/791263378.db2.gz RWMVHQAXNVRKMJ-IUODEOHRSA-N 1 2 288.347 1.883 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925597999 791361743 /nfs/dbraw/zinc/36/17/43/791361743.db2.gz RYSIGVRPMNQMOT-GJZGRUSLSA-N 1 2 295.427 1.847 20 30 CDEDLO C=CCOCCO[NH+]=C(N)c1ccc(OC)cc1 ZINC000842020465 791380686 /nfs/dbraw/zinc/38/06/86/791380686.db2.gz BHDPCHNFSGKZHZ-UHFFFAOYSA-N 1 2 250.298 1.535 20 30 CDEDLO CC(C)C[N@H+](C)Cn1nc(CC#N)n(C)c1=S ZINC000794624154 791429059 /nfs/dbraw/zinc/42/90/59/791429059.db2.gz VCLNSMXNOJDYNF-UHFFFAOYSA-N 1 2 253.375 1.562 20 30 CDEDLO CC(C)C[N@@H+](C)Cn1nc(CC#N)n(C)c1=S ZINC000794624154 791429061 /nfs/dbraw/zinc/42/90/61/791429061.db2.gz VCLNSMXNOJDYNF-UHFFFAOYSA-N 1 2 253.375 1.562 20 30 CDEDLO C=C(Br)Cn1cc(C[N@@H+](C)CCOC)nn1 ZINC000881429746 791614314 /nfs/dbraw/zinc/61/43/14/791614314.db2.gz VBKDXVUVLRMFFX-UHFFFAOYSA-N 1 2 289.177 1.265 20 30 CDEDLO C=C(Br)Cn1cc(C[N@H+](C)CCOC)nn1 ZINC000881429746 791614327 /nfs/dbraw/zinc/61/43/27/791614327.db2.gz VBKDXVUVLRMFFX-UHFFFAOYSA-N 1 2 289.177 1.265 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001043407816 791628758 /nfs/dbraw/zinc/62/87/58/791628758.db2.gz FBUBEQGCHVBFQY-CABCVRRESA-N 1 2 278.396 1.520 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(OCC)nc2)C1 ZINC001042845016 791646475 /nfs/dbraw/zinc/64/64/75/791646475.db2.gz ULECHMGFCMEVJK-UHFFFAOYSA-N 1 2 287.363 1.260 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@]1(C)CC ZINC001018129978 791747979 /nfs/dbraw/zinc/74/79/79/791747979.db2.gz OOFQCNZNQVYHLD-HLPPOEQASA-N 1 2 260.381 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@]1(C)CC ZINC001018129978 791747987 /nfs/dbraw/zinc/74/79/87/791747987.db2.gz OOFQCNZNQVYHLD-HLPPOEQASA-N 1 2 260.381 1.731 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc[nH]c1)CCO2 ZINC001053269688 791748125 /nfs/dbraw/zinc/74/81/25/791748125.db2.gz HZAOGBPEPIXUHV-UHFFFAOYSA-N 1 2 275.352 1.118 20 30 CDEDLO Cc1[nH+]cc(C=NNCCC(=O)OC(C)(C)C)n1C ZINC000853332242 791752864 /nfs/dbraw/zinc/75/28/64/791752864.db2.gz HEPKMQUMYPLHKP-UHFFFAOYSA-N 1 2 266.345 1.384 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(F)cc(F)c2)C1 ZINC001035596444 791754063 /nfs/dbraw/zinc/75/40/63/791754063.db2.gz ARFSESIKDWYGES-CQSZACIVSA-N 1 2 296.317 1.581 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(F)cc(F)c2)C1 ZINC001035596444 791754068 /nfs/dbraw/zinc/75/40/68/791754068.db2.gz ARFSESIKDWYGES-CQSZACIVSA-N 1 2 296.317 1.581 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccoc1C)CO2 ZINC001053733908 791808583 /nfs/dbraw/zinc/80/85/83/791808583.db2.gz HILBWILTFSBSAO-CYBMUJFWSA-N 1 2 288.347 1.184 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccon2)C1 ZINC001006961152 791830851 /nfs/dbraw/zinc/83/08/51/791830851.db2.gz ZPYPOQSYOAKFFA-GFCCVEGCSA-N 1 2 283.759 1.550 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccon2)C1 ZINC001006961152 791830855 /nfs/dbraw/zinc/83/08/55/791830855.db2.gz ZPYPOQSYOAKFFA-GFCCVEGCSA-N 1 2 283.759 1.550 20 30 CDEDLO C=CC[C@H](CC)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868018365 791832542 /nfs/dbraw/zinc/83/25/42/791832542.db2.gz KCKGYFQVMGAHKE-VGVVRCBHSA-N 1 2 252.358 1.346 20 30 CDEDLO C#CCOc1ccccc1NC(=O)NCCn1cc[nH+]c1 ZINC000188046153 791841309 /nfs/dbraw/zinc/84/13/09/791841309.db2.gz VZNGRBVFTCKKFS-UHFFFAOYSA-N 1 2 284.319 1.717 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1Cc2c(cccc2C)O1 ZINC001038921993 791874695 /nfs/dbraw/zinc/87/46/95/791874695.db2.gz UOVPAWRCOFZSSY-RHSMWYFYSA-N 1 2 298.386 1.512 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1Cc2c(cccc2C)O1 ZINC001038921993 791874697 /nfs/dbraw/zinc/87/46/97/791874697.db2.gz UOVPAWRCOFZSSY-RHSMWYFYSA-N 1 2 298.386 1.512 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cncn2C)C1 ZINC001034295738 791895720 /nfs/dbraw/zinc/89/57/20/791895720.db2.gz GQGCENXHIUJRCP-GFCCVEGCSA-N 1 2 296.802 1.757 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cncn2C)C1 ZINC001034295738 791895727 /nfs/dbraw/zinc/89/57/27/791895727.db2.gz GQGCENXHIUJRCP-GFCCVEGCSA-N 1 2 296.802 1.757 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]c(C)cc1C ZINC001032480222 791912028 /nfs/dbraw/zinc/91/20/28/791912028.db2.gz OSICISKQGLTCGT-KBPBESRZSA-N 1 2 271.364 1.554 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]c(C)cc1C ZINC001032480222 791912036 /nfs/dbraw/zinc/91/20/36/791912036.db2.gz OSICISKQGLTCGT-KBPBESRZSA-N 1 2 271.364 1.554 20 30 CDEDLO NC(=[NH+]OCCC1(O)CCC1)c1ccc(F)cc1 ZINC000853646570 791973163 /nfs/dbraw/zinc/97/31/63/791973163.db2.gz UYRYNNGZCXSCLG-UHFFFAOYSA-N 1 2 252.289 1.768 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(F)c(OC)c1 ZINC001038728799 792008039 /nfs/dbraw/zinc/00/80/39/792008039.db2.gz UDCKECJHJSEWNN-ZDUSSCGKSA-N 1 2 290.338 1.662 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(F)c(OC)c1 ZINC001038728799 792008057 /nfs/dbraw/zinc/00/80/57/792008057.db2.gz UDCKECJHJSEWNN-ZDUSSCGKSA-N 1 2 290.338 1.662 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cocn2)C1 ZINC001046194913 792054772 /nfs/dbraw/zinc/05/47/72/792054772.db2.gz QOJFREFFLITQFQ-GFCCVEGCSA-N 1 2 269.732 1.621 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cocn2)C1 ZINC001046194913 792054787 /nfs/dbraw/zinc/05/47/87/792054787.db2.gz QOJFREFFLITQFQ-GFCCVEGCSA-N 1 2 269.732 1.621 20 30 CDEDLO CCOC(=O)[C@H](CC1CC1)[NH2+]C[C@H](O)CC1(C#N)CCC1 ZINC000886314276 792290618 /nfs/dbraw/zinc/29/06/18/792290618.db2.gz RMCQIEMQSPITFO-KGLIPLIRSA-N 1 2 294.395 1.753 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2nc(C)oc2C)C1 ZINC001044086080 792304215 /nfs/dbraw/zinc/30/42/15/792304215.db2.gz KNKAQLVZAACZFY-UHFFFAOYSA-N 1 2 261.325 1.071 20 30 CDEDLO CC(C)C#CC(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000854389778 792314523 /nfs/dbraw/zinc/31/45/23/792314523.db2.gz RJDNTSVTLJSJEJ-UHFFFAOYSA-N 1 2 299.378 1.305 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2cnccc2C)C1 ZINC001042963429 792335505 /nfs/dbraw/zinc/33/55/05/792335505.db2.gz PKADJKRMAASBPZ-UHFFFAOYSA-N 1 2 273.380 1.651 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001051098975 792360123 /nfs/dbraw/zinc/36/01/23/792360123.db2.gz QUOWGSXPYIVKPC-LLVKDONJSA-N 1 2 297.786 1.675 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001051098975 792360135 /nfs/dbraw/zinc/36/01/35/792360135.db2.gz QUOWGSXPYIVKPC-LLVKDONJSA-N 1 2 297.786 1.675 20 30 CDEDLO C=CCCOCC(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC000842890017 792380156 /nfs/dbraw/zinc/38/01/56/792380156.db2.gz KJIPSDLSZHAKPQ-UHFFFAOYSA-N 1 2 276.336 1.654 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2conc2C2CC2)C1 ZINC000923562422 792494512 /nfs/dbraw/zinc/49/45/12/792494512.db2.gz WMXLIFOCBUKRSQ-LBPRGKRZSA-N 1 2 273.336 1.379 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2conc2C2CC2)C1 ZINC000923562422 792494543 /nfs/dbraw/zinc/49/45/43/792494543.db2.gz WMXLIFOCBUKRSQ-LBPRGKRZSA-N 1 2 273.336 1.379 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1=CCCC1)O2 ZINC001053590842 792598210 /nfs/dbraw/zinc/59/82/10/792598210.db2.gz QYSJTNDGNGMHEM-AWEZNQCLSA-N 1 2 276.380 1.632 20 30 CDEDLO C#CCCN(CCOC)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000856392673 792662716 /nfs/dbraw/zinc/66/27/16/792662716.db2.gz YJDAYLYQVLUQOM-UHFFFAOYSA-N 1 2 285.347 1.755 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](C)[C@@H]2CCCO2)C1 ZINC001043796104 792667803 /nfs/dbraw/zinc/66/78/03/792667803.db2.gz NOKWFZHIVVCAAM-JSGCOSHPSA-N 1 2 266.385 1.520 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ncc[nH]2)[C@H]1C ZINC000993342365 792801766 /nfs/dbraw/zinc/80/17/66/792801766.db2.gz IGARRARJIMIVEB-MNOVXSKESA-N 1 2 282.775 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ncc[nH]2)[C@H]1C ZINC000993342365 792801767 /nfs/dbraw/zinc/80/17/67/792801767.db2.gz IGARRARJIMIVEB-MNOVXSKESA-N 1 2 282.775 1.745 20 30 CDEDLO C=C(C)CN1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001030527752 792819270 /nfs/dbraw/zinc/81/92/70/792819270.db2.gz SFIKERUTGHKDPS-UHFFFAOYSA-N 1 2 270.336 1.553 20 30 CDEDLO C[N@H+](CCOCCC#N)Cc1nnc2ccccn21 ZINC000815060341 792823316 /nfs/dbraw/zinc/82/33/16/792823316.db2.gz MZSMVQYYPUGXKB-UHFFFAOYSA-N 1 2 259.313 1.091 20 30 CDEDLO C[N@@H+](CCOCCC#N)Cc1nnc2ccccn21 ZINC000815060341 792823318 /nfs/dbraw/zinc/82/33/18/792823318.db2.gz MZSMVQYYPUGXKB-UHFFFAOYSA-N 1 2 259.313 1.091 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](Nc2ncncc2Cl)C1 ZINC000884611863 792834060 /nfs/dbraw/zinc/83/40/60/792834060.db2.gz WRIQZOYGCMRQGU-JTQLQIEISA-N 1 2 250.733 1.640 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](Nc2ncncc2Cl)C1 ZINC000884611863 792834061 /nfs/dbraw/zinc/83/40/61/792834061.db2.gz WRIQZOYGCMRQGU-JTQLQIEISA-N 1 2 250.733 1.640 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2c[nH]c3ncccc23)C1 ZINC001044346129 792841183 /nfs/dbraw/zinc/84/11/83/792841183.db2.gz GQSTWUDPJCIRAN-UHFFFAOYSA-N 1 2 284.363 1.434 20 30 CDEDLO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ccc(F)cc1C#N ZINC000931663999 792883183 /nfs/dbraw/zinc/88/31/83/792883183.db2.gz XTDIFRMCPWQLEJ-LBPRGKRZSA-N 1 2 261.300 1.312 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCOC2)C1 ZINC001032950389 792919267 /nfs/dbraw/zinc/91/92/67/792919267.db2.gz FCBRJEXAOOROBT-QWHCGFSZSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCOC2)C1 ZINC001032950389 792919297 /nfs/dbraw/zinc/91/92/97/792919297.db2.gz FCBRJEXAOOROBT-QWHCGFSZSA-N 1 2 286.803 1.698 20 30 CDEDLO C[C@]12CC[N@H+](CC(=O)NCCC#N)C[C@H]1C2(Cl)Cl ZINC000792900168 793062174 /nfs/dbraw/zinc/06/21/74/793062174.db2.gz AIPGZYRQUNLQNC-KOLCDFICSA-N 1 2 290.194 1.532 20 30 CDEDLO C[C@]12CC[N@@H+](CC(=O)NCCC#N)C[C@H]1C2(Cl)Cl ZINC000792900168 793062186 /nfs/dbraw/zinc/06/21/86/793062186.db2.gz AIPGZYRQUNLQNC-KOLCDFICSA-N 1 2 290.194 1.532 20 30 CDEDLO COC(=O)[C@H](C[C@H]1CCCO1)[NH2+]CCCSCC#N ZINC000886950975 793083996 /nfs/dbraw/zinc/08/39/96/793083996.db2.gz UWPFHWUYSHRQHQ-NEPJUHHUSA-N 1 2 286.397 1.334 20 30 CDEDLO COc1ccc(CNC(=O)Cc2c[nH+]cn2C)cc1C#N ZINC000807120074 793086552 /nfs/dbraw/zinc/08/65/52/793086552.db2.gz ZGDIUOGIFYCDQX-UHFFFAOYSA-N 1 2 284.319 1.159 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cocc1C)CO2 ZINC001053893905 793111468 /nfs/dbraw/zinc/11/14/68/793111468.db2.gz BEQQGNANCDPMTJ-CYBMUJFWSA-N 1 2 290.363 1.737 20 30 CDEDLO C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)c2cn[nH]n2)CC1 ZINC000997197626 793127522 /nfs/dbraw/zinc/12/75/22/793127522.db2.gz DBUWBFJIHADLRV-SNVBAGLBSA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)c2cnn[nH]2)CC1 ZINC000997197626 793127527 /nfs/dbraw/zinc/12/75/27/793127527.db2.gz DBUWBFJIHADLRV-SNVBAGLBSA-N 1 2 297.790 1.388 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1oc(CC)cc1C ZINC001038913770 793131993 /nfs/dbraw/zinc/13/19/93/793131993.db2.gz LJLFLQOOXJBHAR-ZDUSSCGKSA-N 1 2 274.364 1.978 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1oc(CC)cc1C ZINC001038913770 793132008 /nfs/dbraw/zinc/13/20/08/793132008.db2.gz LJLFLQOOXJBHAR-ZDUSSCGKSA-N 1 2 274.364 1.978 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2conc2C)C1 ZINC001046583038 793182330 /nfs/dbraw/zinc/18/23/30/793182330.db2.gz LNLVJFVAFQFDGN-ZDUSSCGKSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2conc2C)C1 ZINC001046583038 793182335 /nfs/dbraw/zinc/18/23/35/793182335.db2.gz LNLVJFVAFQFDGN-ZDUSSCGKSA-N 1 2 283.759 1.930 20 30 CDEDLO C#C[C@@](C)(CC)[NH2+][C@H](C)c1nc(N)nc(Cl)n1 ZINC000852103379 793240668 /nfs/dbraw/zinc/24/06/68/793240668.db2.gz FZYBZIYROTZJJS-HQJQHLMTSA-N 1 2 253.737 1.560 20 30 CDEDLO C(=NNCCc1ccccn1)c1cccc2[nH+]ccn21 ZINC000789103130 793252904 /nfs/dbraw/zinc/25/29/04/793252904.db2.gz NNCOFCHUJPXMJY-UHFFFAOYSA-N 1 2 265.320 1.896 20 30 CDEDLO C#CCC[N@@H+]1C[C@H]2CN(C(=O)C(F)C(F)(F)F)C[C@H]2C1 ZINC001048833971 793300158 /nfs/dbraw/zinc/30/01/58/793300158.db2.gz WXYARWYTJOBXAJ-OUAUKWLOSA-N 1 2 292.276 1.300 20 30 CDEDLO C#CCC[N@H+]1C[C@H]2CN(C(=O)C(F)C(F)(F)F)C[C@H]2C1 ZINC001048833971 793300169 /nfs/dbraw/zinc/30/01/69/793300169.db2.gz WXYARWYTJOBXAJ-OUAUKWLOSA-N 1 2 292.276 1.300 20 30 CDEDLO C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]2C1 ZINC001048833971 793300179 /nfs/dbraw/zinc/30/01/79/793300179.db2.gz WXYARWYTJOBXAJ-OUAUKWLOSA-N 1 2 292.276 1.300 20 30 CDEDLO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]2C1 ZINC001048833971 793300181 /nfs/dbraw/zinc/30/01/81/793300181.db2.gz WXYARWYTJOBXAJ-OUAUKWLOSA-N 1 2 292.276 1.300 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2CC)C1 ZINC001015080659 793300810 /nfs/dbraw/zinc/30/08/10/793300810.db2.gz HXKQEDGDDUWKSI-LLVKDONJSA-N 1 2 296.802 1.539 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2CC)C1 ZINC001015080659 793300811 /nfs/dbraw/zinc/30/08/11/793300811.db2.gz HXKQEDGDDUWKSI-LLVKDONJSA-N 1 2 296.802 1.539 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1OC ZINC001018214106 793344154 /nfs/dbraw/zinc/34/41/54/793344154.db2.gz ZAUFVTHDVJVVKJ-BETUJISGSA-N 1 2 287.363 1.565 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1OC ZINC001018214106 793344158 /nfs/dbraw/zinc/34/41/58/793344158.db2.gz ZAUFVTHDVJVVKJ-BETUJISGSA-N 1 2 287.363 1.565 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1occ2c1CCC2 ZINC001032541962 793362009 /nfs/dbraw/zinc/36/20/09/793362009.db2.gz IJXBFIJKDTVQKO-KBPBESRZSA-N 1 2 284.359 1.690 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1occ2c1CCC2 ZINC001032541962 793362018 /nfs/dbraw/zinc/36/20/18/793362018.db2.gz IJXBFIJKDTVQKO-KBPBESRZSA-N 1 2 284.359 1.690 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCO2)C1 ZINC001010060792 793383853 /nfs/dbraw/zinc/38/38/53/793383853.db2.gz OQEWTWSZABHZKX-GHMZBOCLSA-N 1 2 258.749 1.108 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCO2)C1 ZINC001010060792 793383869 /nfs/dbraw/zinc/38/38/69/793383869.db2.gz OQEWTWSZABHZKX-GHMZBOCLSA-N 1 2 258.749 1.108 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+]Cc1nc(Cl)cs1 ZINC000877196127 793391174 /nfs/dbraw/zinc/39/11/74/793391174.db2.gz UHMWOXYKAHZGPL-UHFFFAOYSA-N 1 2 280.802 1.487 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(OC(C)C)n1 ZINC001032706589 793486572 /nfs/dbraw/zinc/48/65/72/793486572.db2.gz AXEBEOJVQJVGSB-KBPBESRZSA-N 1 2 299.374 1.401 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(OC(C)C)n1 ZINC001032706589 793486581 /nfs/dbraw/zinc/48/65/81/793486581.db2.gz AXEBEOJVQJVGSB-KBPBESRZSA-N 1 2 299.374 1.401 20 30 CDEDLO N#CCC(=O)N1CC[NH+](C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000886228813 793809556 /nfs/dbraw/zinc/80/95/56/793809556.db2.gz GIKFORCOLUMMFZ-KBPBESRZSA-N 1 2 277.368 1.002 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC001031224283 793813216 /nfs/dbraw/zinc/81/32/16/793813216.db2.gz GMBLYPMUXQKLQU-UHFFFAOYSA-N 1 2 274.368 1.279 20 30 CDEDLO CN(C(=O)c1cccc2[nH+]ccn21)[C@@H]1CCN(CC#N)C1 ZINC001033260772 793830772 /nfs/dbraw/zinc/83/07/72/793830772.db2.gz AUJGTYHCGTYZAP-GFCCVEGCSA-N 1 2 283.335 1.004 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2sccc2OC)CC1 ZINC000989531239 793840270 /nfs/dbraw/zinc/84/02/70/793840270.db2.gz SKRSLMGABYIQEM-UHFFFAOYSA-N 1 2 278.377 1.538 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2sccc2OC)CC1 ZINC000989531239 793840273 /nfs/dbraw/zinc/84/02/73/793840273.db2.gz SKRSLMGABYIQEM-UHFFFAOYSA-N 1 2 278.377 1.538 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)/C=C\C1CC1)CCO2 ZINC001053203086 793905455 /nfs/dbraw/zinc/90/54/55/793905455.db2.gz RNLYVYQSAUSYIT-SREVYHEPSA-N 1 2 276.380 1.442 20 30 CDEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001015969117 793979153 /nfs/dbraw/zinc/97/91/53/793979153.db2.gz PKSFGGBHIZZVRH-GFCCVEGCSA-N 1 2 293.342 1.420 20 30 CDEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001015969117 793979167 /nfs/dbraw/zinc/97/91/67/793979167.db2.gz PKSFGGBHIZZVRH-GFCCVEGCSA-N 1 2 293.342 1.420 20 30 CDEDLO CC#CC[NH+]1CCC([C@@H](C)NC(=O)c2[nH]ncc2F)CC1 ZINC000997293260 793989864 /nfs/dbraw/zinc/98/98/64/793989864.db2.gz YXLIEIDUQOCQAG-LLVKDONJSA-N 1 2 292.358 1.402 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccnn2CC)C1 ZINC001033035709 794011432 /nfs/dbraw/zinc/01/14/32/794011432.db2.gz JHCHOGCHWKANBC-LBPRGKRZSA-N 1 2 296.802 1.802 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccnn2CC)C1 ZINC001033035709 794011447 /nfs/dbraw/zinc/01/14/47/794011447.db2.gz JHCHOGCHWKANBC-LBPRGKRZSA-N 1 2 296.802 1.802 20 30 CDEDLO C#C[C@H]([NH2+]Cc1ncc(Cl)n1C)[C@@H]1CCCO1 ZINC000775783920 794033541 /nfs/dbraw/zinc/03/35/41/794033541.db2.gz FNKMXEJFFRUBOH-UWVGGRQHSA-N 1 2 253.733 1.344 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2n[nH]c3c2CCC3)C1 ZINC001043203874 794057913 /nfs/dbraw/zinc/05/79/13/794057913.db2.gz ZFWMGFJMBKRXBV-UHFFFAOYSA-N 1 2 274.368 1.231 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csnc1C ZINC001017497493 794151749 /nfs/dbraw/zinc/15/17/49/794151749.db2.gz XHRRVZMJGZUZEJ-BETUJISGSA-N 1 2 289.404 1.764 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csnc1C ZINC001017497493 794151758 /nfs/dbraw/zinc/15/17/58/794151758.db2.gz XHRRVZMJGZUZEJ-BETUJISGSA-N 1 2 289.404 1.764 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3nc(C)c[nH]3)[C@@H]2C1 ZINC001076342412 794215940 /nfs/dbraw/zinc/21/59/40/794215940.db2.gz LMTDFOOJGBWMQA-NWDGAFQWSA-N 1 2 294.786 1.617 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3nc(C)c[nH]3)[C@@H]2C1 ZINC001076342412 794215945 /nfs/dbraw/zinc/21/59/45/794215945.db2.gz LMTDFOOJGBWMQA-NWDGAFQWSA-N 1 2 294.786 1.617 20 30 CDEDLO CN(C)c1ncc(C=[NH+]Nc2cn[nH]c(=O)c2Cl)n1C ZINC000811636986 794257267 /nfs/dbraw/zinc/25/72/67/794257267.db2.gz RPYHQWHLUQZLMV-UHFFFAOYSA-N 1 2 295.734 1.081 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1oncc1C)O2 ZINC001053685604 794309785 /nfs/dbraw/zinc/30/97/85/794309785.db2.gz UQNQPJJESPQNFP-LBPRGKRZSA-N 1 2 291.351 1.132 20 30 CDEDLO N#CCN1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000092936254 794313998 /nfs/dbraw/zinc/31/39/98/794313998.db2.gz CXEHJVDPPOKJCD-UHFFFAOYSA-N 1 2 265.744 1.687 20 30 CDEDLO C#CCNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000864414363 794333593 /nfs/dbraw/zinc/33/35/93/794333593.db2.gz PPFGBNMFNVPLEI-UHFFFAOYSA-N 1 2 290.392 1.067 20 30 CDEDLO CC(=[NH+]Nc1cnnn1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000814983216 794337927 /nfs/dbraw/zinc/33/79/27/794337927.db2.gz DJMOOWRMOMJNDM-UHFFFAOYSA-N 1 2 275.272 1.142 20 30 CDEDLO Cc1ccc(CNC(=O)CO[NH+]=C(N)c2ccccc2)cc1 ZINC000028774988 794362172 /nfs/dbraw/zinc/36/21/72/794362172.db2.gz YJIWBKDEMUYKHE-UHFFFAOYSA-N 1 2 297.358 1.948 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC2(F)F)C1 ZINC001046299293 794382419 /nfs/dbraw/zinc/38/24/19/794382419.db2.gz JCHAYWYPADJCDA-KOLCDFICSA-N 1 2 278.730 1.975 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC2(F)F)C1 ZINC001046299293 794382428 /nfs/dbraw/zinc/38/24/28/794382428.db2.gz JCHAYWYPADJCDA-KOLCDFICSA-N 1 2 278.730 1.975 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001010302408 794398299 /nfs/dbraw/zinc/39/82/99/794398299.db2.gz MCMONRKTVBFYAZ-OAHLLOKOSA-N 1 2 295.346 1.286 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001010302408 794398308 /nfs/dbraw/zinc/39/83/08/794398308.db2.gz MCMONRKTVBFYAZ-OAHLLOKOSA-N 1 2 295.346 1.286 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2csc(=O)[nH]2)C1 ZINC001031914146 794481439 /nfs/dbraw/zinc/48/14/39/794481439.db2.gz CHIZWZZOWVJLTL-UHFFFAOYSA-N 1 2 287.772 1.263 20 30 CDEDLO C=CCN1CC[C@@H](O[NH+]=C(N)c2ccccc2C)C1=O ZINC000883058844 794531676 /nfs/dbraw/zinc/53/16/76/794531676.db2.gz DFOOKYUESMPYER-CYBMUJFWSA-N 1 2 273.336 1.628 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H]2Cc3c(cccc3C)O2)C1 ZINC001044195464 794547058 /nfs/dbraw/zinc/54/70/58/794547058.db2.gz UZVWNMCKOKWVPT-QGZVFWFLSA-N 1 2 298.386 1.464 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1nc(C)sc1C ZINC001032477550 794702225 /nfs/dbraw/zinc/70/22/25/794702225.db2.gz KRVQOSIRHLNLHL-STQMWFEESA-N 1 2 289.404 1.221 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1nc(C)sc1C ZINC001032477550 794702230 /nfs/dbraw/zinc/70/22/30/794702230.db2.gz KRVQOSIRHLNLHL-STQMWFEESA-N 1 2 289.404 1.221 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccon1 ZINC000960501061 794772388 /nfs/dbraw/zinc/77/23/88/794772388.db2.gz ICOFKOILXZQYSL-DGCLKSJQSA-N 1 2 276.340 1.257 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccon1 ZINC000960501061 794772393 /nfs/dbraw/zinc/77/23/93/794772393.db2.gz ICOFKOILXZQYSL-DGCLKSJQSA-N 1 2 276.340 1.257 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cscn1 ZINC001018034931 794783288 /nfs/dbraw/zinc/78/32/88/794783288.db2.gz SMSUKEVEXMUERA-OKILXGFUSA-N 1 2 289.404 1.384 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cscn1 ZINC001018034931 794783297 /nfs/dbraw/zinc/78/32/97/794783297.db2.gz SMSUKEVEXMUERA-OKILXGFUSA-N 1 2 289.404 1.384 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cc(C)n[nH]2)CC1 ZINC001000473363 794836767 /nfs/dbraw/zinc/83/67/67/794836767.db2.gz NEBBDQBMAQOOCD-UHFFFAOYSA-N 1 2 294.786 1.833 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cc(C)n[nH]2)CC1 ZINC001000473363 794836772 /nfs/dbraw/zinc/83/67/72/794836772.db2.gz NEBBDQBMAQOOCD-UHFFFAOYSA-N 1 2 294.786 1.833 20 30 CDEDLO C#CCNC(=O)C1CC[NH+](Cc2cnc(Cl)cn2)CC1 ZINC000799120167 794846214 /nfs/dbraw/zinc/84/62/14/794846214.db2.gz VQEZZZVQABAPMK-UHFFFAOYSA-N 1 2 292.770 1.091 20 30 CDEDLO C#CC[N@H+]1CCCC[C@@H](NC(=O)c2snnc2C)C1 ZINC001034097935 794857948 /nfs/dbraw/zinc/85/79/48/794857948.db2.gz NECBTSVFNSTWTC-LLVKDONJSA-N 1 2 278.381 1.064 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2snnc2C)C1 ZINC001034097935 794857956 /nfs/dbraw/zinc/85/79/56/794857956.db2.gz NECBTSVFNSTWTC-LLVKDONJSA-N 1 2 278.381 1.064 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1sccc1C ZINC000884331135 794870264 /nfs/dbraw/zinc/87/02/64/794870264.db2.gz GQNNCGLDOHXRET-NSHDSACASA-N 1 2 296.392 1.162 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(C)n[nH]2)C1 ZINC001046170001 794871695 /nfs/dbraw/zinc/87/16/95/794871695.db2.gz RSHRLAVQIZYPSM-ZDUSSCGKSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(C)n[nH]2)C1 ZINC001046170001 794871696 /nfs/dbraw/zinc/87/16/96/794871696.db2.gz RSHRLAVQIZYPSM-ZDUSSCGKSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@@]23CCOC3)C1 ZINC001044153769 794926466 /nfs/dbraw/zinc/92/64/66/794926466.db2.gz LAEFXVAQRFWTQO-DZGCQCFKSA-N 1 2 264.369 1.132 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1C(C)C ZINC001018120530 794982085 /nfs/dbraw/zinc/98/20/85/794982085.db2.gz VDRJHNGDIMYHJU-LXTVHRRPSA-N 1 2 260.381 1.587 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1C(C)C ZINC001018120530 794982096 /nfs/dbraw/zinc/98/20/96/794982096.db2.gz VDRJHNGDIMYHJU-LXTVHRRPSA-N 1 2 260.381 1.587 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001038374716 795050358 /nfs/dbraw/zinc/05/03/58/795050358.db2.gz VMXXVMJPWHZCBR-GFCCVEGCSA-N 1 2 299.330 1.361 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001038374716 795050364 /nfs/dbraw/zinc/05/03/64/795050364.db2.gz VMXXVMJPWHZCBR-GFCCVEGCSA-N 1 2 299.330 1.361 20 30 CDEDLO C#CCC1([NH2+][C@@H](C)C(=O)OCCC)CCOCC1 ZINC000887124464 795084105 /nfs/dbraw/zinc/08/41/05/795084105.db2.gz FRBIMGOBSWILCV-LBPRGKRZSA-N 1 2 253.342 1.490 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2C[C@@H]3CCC[C@H]3O2)nn1 ZINC000881397007 795095503 /nfs/dbraw/zinc/09/55/03/795095503.db2.gz SVOJGGAAGQIHGD-AEGPPILISA-N 1 2 274.368 1.349 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933394859 795185719 /nfs/dbraw/zinc/18/57/19/795185719.db2.gz ZZGPEVULHCLERM-OAHLLOKOSA-N 1 2 290.367 1.273 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933394859 795185729 /nfs/dbraw/zinc/18/57/29/795185729.db2.gz ZZGPEVULHCLERM-OAHLLOKOSA-N 1 2 290.367 1.273 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000884103640 795217395 /nfs/dbraw/zinc/21/73/95/795217395.db2.gz PDLNVFCEBCIUDN-RWMBFGLXSA-N 1 2 280.368 1.224 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046223476 795267113 /nfs/dbraw/zinc/26/71/13/795267113.db2.gz LTNAWHQVBUQUDL-CQSZACIVSA-N 1 2 292.770 1.833 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046223476 795267128 /nfs/dbraw/zinc/26/71/28/795267128.db2.gz LTNAWHQVBUQUDL-CQSZACIVSA-N 1 2 292.770 1.833 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C2CCC(OC)CC2)C1 ZINC001030870417 795269455 /nfs/dbraw/zinc/26/94/55/795269455.db2.gz GPPRJFMVXTUTPF-UHFFFAOYSA-N 1 2 266.385 1.568 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C ZINC001017355769 795290185 /nfs/dbraw/zinc/29/01/85/795290185.db2.gz FQJBWVNZQRWDAO-OKILXGFUSA-N 1 2 272.348 1.900 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C ZINC001017355769 795290198 /nfs/dbraw/zinc/29/01/98/795290198.db2.gz FQJBWVNZQRWDAO-OKILXGFUSA-N 1 2 272.348 1.900 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000884044930 795301751 /nfs/dbraw/zinc/30/17/51/795301751.db2.gz ATDMXTVNMXLKPA-UTUOFQBUSA-N 1 2 268.357 1.223 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccc3c2CCC3)C1 ZINC001044360315 795331882 /nfs/dbraw/zinc/33/18/82/795331882.db2.gz BUXMZZRZVVHMCS-UHFFFAOYSA-N 1 2 282.387 1.955 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC13CC3)O2 ZINC001053667781 795397634 /nfs/dbraw/zinc/39/76/34/795397634.db2.gz DTOUHSXWILHGAC-OLZOCXBDSA-N 1 2 276.380 1.322 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000932722723 795403758 /nfs/dbraw/zinc/40/37/58/795403758.db2.gz GBIGFYKVRBFXBF-KBPBESRZSA-N 1 2 267.417 1.341 20 30 CDEDLO CC1(C)CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1NCC#N ZINC000996037585 795447933 /nfs/dbraw/zinc/44/79/33/795447933.db2.gz DYEVUPNVMMOXRX-ZDUSSCGKSA-N 1 2 297.362 1.298 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CCOCC1 ZINC001017499122 795459383 /nfs/dbraw/zinc/45/93/83/795459383.db2.gz DIYOLBDBWNTFHW-GASCZTMLSA-N 1 2 274.364 1.032 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CCOCC1 ZINC001017499122 795459410 /nfs/dbraw/zinc/45/94/10/795459410.db2.gz DIYOLBDBWNTFHW-GASCZTMLSA-N 1 2 274.364 1.032 20 30 CDEDLO C=CC[N@@H+](CN1CCC(C)(C)C1=O)[C@H](C)COC ZINC000853533975 795483425 /nfs/dbraw/zinc/48/34/25/795483425.db2.gz FWIIAHGYFNSBMV-GFCCVEGCSA-N 1 2 254.374 1.725 20 30 CDEDLO C=CC[N@H+](CN1CCC(C)(C)C1=O)[C@H](C)COC ZINC000853533975 795483423 /nfs/dbraw/zinc/48/34/23/795483423.db2.gz FWIIAHGYFNSBMV-GFCCVEGCSA-N 1 2 254.374 1.725 20 30 CDEDLO CC[C@H](OC)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004366105 795638962 /nfs/dbraw/zinc/63/89/62/795638962.db2.gz ANJXDKCJMUBVOI-CABCVRRESA-N 1 2 293.411 1.638 20 30 CDEDLO CC[C@H](OC)C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004366105 795638974 /nfs/dbraw/zinc/63/89/74/795638974.db2.gz ANJXDKCJMUBVOI-CABCVRRESA-N 1 2 293.411 1.638 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1nccc2ccccc21 ZINC001038647460 795787061 /nfs/dbraw/zinc/78/70/61/795787061.db2.gz PJRZQKQOPCLNOX-AWEZNQCLSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1nccc2ccccc21 ZINC001038647460 795787072 /nfs/dbraw/zinc/78/70/72/795787072.db2.gz PJRZQKQOPCLNOX-AWEZNQCLSA-N 1 2 279.343 1.672 20 30 CDEDLO CC(C)(C)C#CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000837475713 795798698 /nfs/dbraw/zinc/79/86/98/795798698.db2.gz OJWGFMDQHXTDFY-UHFFFAOYSA-N 1 2 255.321 2.000 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(C)nc2)C1 ZINC001042483345 795804328 /nfs/dbraw/zinc/80/43/28/795804328.db2.gz DJNGFAVQDIIRIE-UHFFFAOYSA-N 1 2 257.337 1.170 20 30 CDEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000826381044 795816365 /nfs/dbraw/zinc/81/63/65/795816365.db2.gz VTRUXQBESRVFOD-MFKMUULPSA-N 1 2 286.314 1.788 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](CC)CCC ZINC000884110610 795818557 /nfs/dbraw/zinc/81/85/57/795818557.db2.gz OIWUEFDBPNCEGP-QWRGUYRKSA-N 1 2 256.346 1.128 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(NC(C)=O)cc1 ZINC001038950781 795825269 /nfs/dbraw/zinc/82/52/69/795825269.db2.gz WOCUAYIHIMMAPU-OAHLLOKOSA-N 1 2 285.347 1.082 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(NC(C)=O)cc1 ZINC001038950781 795825272 /nfs/dbraw/zinc/82/52/72/795825272.db2.gz WOCUAYIHIMMAPU-OAHLLOKOSA-N 1 2 285.347 1.082 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2CCCC2)C1 ZINC001035262965 795854525 /nfs/dbraw/zinc/85/45/25/795854525.db2.gz APVNNMYKGGHSRN-CYBMUJFWSA-N 1 2 252.358 1.180 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C2CCCC2)C1 ZINC001035262965 795854526 /nfs/dbraw/zinc/85/45/26/795854526.db2.gz APVNNMYKGGHSRN-CYBMUJFWSA-N 1 2 252.358 1.180 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1[nH]nnc1C ZINC001024587480 795871457 /nfs/dbraw/zinc/87/14/57/795871457.db2.gz JICYHXZBULIQIH-LLVKDONJSA-N 1 2 297.790 1.450 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1[nH]nnc1C ZINC001024587480 795871458 /nfs/dbraw/zinc/87/14/58/795871458.db2.gz JICYHXZBULIQIH-LLVKDONJSA-N 1 2 297.790 1.450 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2COc3ccccc32)C1 ZINC001044366200 795898759 /nfs/dbraw/zinc/89/87/59/795898759.db2.gz BILITAKXRTVOEV-AWEZNQCLSA-N 1 2 272.348 1.491 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CC[C@@H](CC)O2)C1 ZINC001042827417 795980473 /nfs/dbraw/zinc/98/04/73/795980473.db2.gz ISQMWCOBZOTYTH-ZIAGYGMSSA-N 1 2 266.385 1.663 20 30 CDEDLO C=C(Cl)CN1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009209352 795985495 /nfs/dbraw/zinc/98/54/95/795985495.db2.gz SVJNDIINVQYYON-GFCCVEGCSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cncn2C)C1 ZINC001009209352 795985563 /nfs/dbraw/zinc/98/55/63/795985563.db2.gz SVJNDIINVQYYON-GFCCVEGCSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cncn2C)C1 ZINC001009209352 795985596 /nfs/dbraw/zinc/98/55/96/795985596.db2.gz SVJNDIINVQYYON-GFCCVEGCSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(C)C[C@H](CO)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000883525494 795987249 /nfs/dbraw/zinc/98/72/49/795987249.db2.gz HAUFGKWPGZCCFI-CYBMUJFWSA-N 1 2 288.351 1.461 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(C)c1 ZINC001017502501 796030449 /nfs/dbraw/zinc/03/04/49/796030449.db2.gz LMUWGWGCOKMUEE-GASCZTMLSA-N 1 2 272.348 1.900 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(C)c1 ZINC001017502501 796030458 /nfs/dbraw/zinc/03/04/58/796030458.db2.gz LMUWGWGCOKMUEE-GASCZTMLSA-N 1 2 272.348 1.900 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000788294381 796095195 /nfs/dbraw/zinc/09/51/95/796095195.db2.gz WRWDTTFHEDCJSG-OAHLLOKOSA-N 1 2 278.352 1.650 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)SC ZINC001032293448 796117902 /nfs/dbraw/zinc/11/79/02/796117902.db2.gz WEMIJWNTMGJSCO-SRVKXCTJSA-N 1 2 252.383 1.046 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)SC ZINC001032293448 796117910 /nfs/dbraw/zinc/11/79/10/796117910.db2.gz WEMIJWNTMGJSCO-SRVKXCTJSA-N 1 2 252.383 1.046 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCOC2(C[NH+](CCCF)C2)C1 ZINC001053373922 796146961 /nfs/dbraw/zinc/14/69/61/796146961.db2.gz UEFWBOYBKRBNAM-UHFFFAOYSA-N 1 2 284.375 1.471 20 30 CDEDLO Cc1nc(NC[C@@]2(C)CCN(C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001065426852 796182812 /nfs/dbraw/zinc/18/28/12/796182812.db2.gz FQNICHGJFBEUML-QGZVFWFLSA-N 1 2 298.390 1.849 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC)cc1OC ZINC000042329433 796306005 /nfs/dbraw/zinc/30/60/05/796306005.db2.gz OWGQVOOEPVZYDX-GFCCVEGCSA-N 1 2 290.363 1.274 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OC)cc1OC ZINC000042329433 796306008 /nfs/dbraw/zinc/30/60/08/796306008.db2.gz OWGQVOOEPVZYDX-GFCCVEGCSA-N 1 2 290.363 1.274 20 30 CDEDLO Cc1nonc1C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000809744862 796366674 /nfs/dbraw/zinc/36/66/74/796366674.db2.gz GNMQZILVUYDJCH-SNVBAGLBSA-N 1 2 272.308 1.959 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccnc1OC(C)C ZINC001039090386 796405458 /nfs/dbraw/zinc/40/54/58/796405458.db2.gz ZGIFJGLEMXDYQE-ZDUSSCGKSA-N 1 2 287.363 1.306 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccnc1OC(C)C ZINC001039090386 796405461 /nfs/dbraw/zinc/40/54/61/796405461.db2.gz ZGIFJGLEMXDYQE-ZDUSSCGKSA-N 1 2 287.363 1.306 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1occc1Cl ZINC001038670939 796409538 /nfs/dbraw/zinc/40/95/38/796409538.db2.gz MNCBLQSRSHZKMM-SECBINFHSA-N 1 2 254.717 1.923 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1occc1Cl ZINC001038670939 796409549 /nfs/dbraw/zinc/40/95/49/796409549.db2.gz MNCBLQSRSHZKMM-SECBINFHSA-N 1 2 254.717 1.923 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(Cl)c[nH]2)C1 ZINC001030101185 796430651 /nfs/dbraw/zinc/43/06/51/796430651.db2.gz XPZSWVUQIPUXJO-UHFFFAOYSA-N 1 2 253.733 1.658 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001095044571 912273135 /nfs/dbraw/zinc/27/31/35/912273135.db2.gz YEUJLHOMUVQWKS-WCQYABFASA-N 1 2 290.367 1.389 20 30 CDEDLO C=C[C@@H]1C[C@@]1([NH2+][C@H]1CCO[C@@H](C)C1)C(=O)OCC ZINC001173170201 912295734 /nfs/dbraw/zinc/29/57/34/912295734.db2.gz PFDHVDNYQQGPCI-OPDFLTKYSA-N 1 2 253.342 1.651 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2O)CC[C@H]1O ZINC001232673780 912382888 /nfs/dbraw/zinc/38/28/88/912382888.db2.gz NAXXQWAJSYSOGY-SMDDNHRTSA-N 1 2 260.337 1.857 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)CC[C@H]1O ZINC001232673780 912382908 /nfs/dbraw/zinc/38/29/08/912382908.db2.gz NAXXQWAJSYSOGY-SMDDNHRTSA-N 1 2 260.337 1.857 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccn(C)n2)[C@H]1C ZINC001089039616 912508994 /nfs/dbraw/zinc/50/89/94/912508994.db2.gz WJENVNNUSTVNOU-MNOVXSKESA-N 1 2 282.775 1.365 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C)n2)[C@H]1C ZINC001089039616 912509014 /nfs/dbraw/zinc/50/90/14/912509014.db2.gz WJENVNNUSTVNOU-MNOVXSKESA-N 1 2 282.775 1.365 20 30 CDEDLO C#CCCCC(=O)N1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001095178219 912592888 /nfs/dbraw/zinc/59/28/88/912592888.db2.gz PLYVXNMMDGYWOV-UHFFFAOYSA-N 1 2 286.379 1.627 20 30 CDEDLO C[S@@](=O)c1c[nH]c2nc[nH+]c(NCCCCC#N)c12 ZINC001168427804 912688572 /nfs/dbraw/zinc/68/85/72/912688572.db2.gz NTFPDOZHCQIOQG-LJQANCHMSA-N 1 2 277.353 1.753 20 30 CDEDLO COc1cc(C#N)cnc1NCC1([NH+]2CCCC2)COC1 ZINC001168442778 913194758 /nfs/dbraw/zinc/19/47/58/913194758.db2.gz QXSUDNYEBOQGJM-UHFFFAOYSA-N 1 2 288.351 1.239 20 30 CDEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)CCCC1 ZINC001211492937 894108982 /nfs/dbraw/zinc/10/89/82/894108982.db2.gz QLPBWYFZTOPURL-CHWSQXEVSA-N 1 2 293.411 1.045 20 30 CDEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)CCCC1 ZINC001211492937 894108987 /nfs/dbraw/zinc/10/89/87/894108987.db2.gz QLPBWYFZTOPURL-CHWSQXEVSA-N 1 2 293.411 1.045 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(F)ccc2F)CC1 ZINC000089946394 894293509 /nfs/dbraw/zinc/29/35/09/894293509.db2.gz ZDZUYWRZCFUWQI-UHFFFAOYSA-N 1 2 250.292 1.716 20 30 CDEDLO COC(=O)[C@H](CS)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC001167622322 897074136 /nfs/dbraw/zinc/07/41/36/897074136.db2.gz SGMXHNGHZVWKDP-NSHDSACASA-N 1 2 292.364 1.210 20 30 CDEDLO Nc1ccccc1C(NO)=[NH+]c1cnc2nonc2c1 ZINC001176694572 914222695 /nfs/dbraw/zinc/22/26/95/914222695.db2.gz BLSGQTXDGSLISK-UHFFFAOYSA-N 1 2 270.252 1.257 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N(C)[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001104540136 898359094 /nfs/dbraw/zinc/35/90/94/898359094.db2.gz RBUIIRXCYCCEKF-IAQYHMDHSA-N 1 2 292.383 1.371 20 30 CDEDLO CC(C)(C#N)c1ccc(NC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001176827843 914284725 /nfs/dbraw/zinc/28/47/25/914284725.db2.gz SREMPKPFZMYDQQ-UHFFFAOYSA-N 1 2 269.308 1.787 20 30 CDEDLO N#Cc1c[nH]c2cc(NC(=O)Cc3c[nH]c[nH+]3)ccc12 ZINC001176833208 914294063 /nfs/dbraw/zinc/29/40/63/914294063.db2.gz DRBQFBNVWCFSFJ-UHFFFAOYSA-N 1 2 265.276 1.944 20 30 CDEDLO CCN(CCNc1ccc(C#N)cn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001106829503 914384876 /nfs/dbraw/zinc/38/48/76/914384876.db2.gz XMLUWILSVBUILN-UHFFFAOYSA-N 1 2 298.350 1.179 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@H]2OCC[N@H+](CCCO)[C@@H]2C1 ZINC001177025456 914436929 /nfs/dbraw/zinc/43/69/29/914436929.db2.gz QUJBRGPTLHMNFD-HUUCEWRRSA-N 1 2 296.411 1.027 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@H]2OCC[N@@H+](CCCO)[C@@H]2C1 ZINC001177025456 914436941 /nfs/dbraw/zinc/43/69/41/914436941.db2.gz QUJBRGPTLHMNFD-HUUCEWRRSA-N 1 2 296.411 1.027 20 30 CDEDLO CC(C)C#CC(=O)N1CC[C@H]2OCC[N@H+](CCCF)[C@@H]2C1 ZINC001177019850 914438120 /nfs/dbraw/zinc/43/81/20/914438120.db2.gz STBONVGJTXSQPA-HUUCEWRRSA-N 1 2 296.386 1.307 20 30 CDEDLO CC(C)C#CC(=O)N1CC[C@H]2OCC[N@@H+](CCCF)[C@@H]2C1 ZINC001177019850 914438125 /nfs/dbraw/zinc/43/81/25/914438125.db2.gz STBONVGJTXSQPA-HUUCEWRRSA-N 1 2 296.386 1.307 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[N@H+](C/C=C\Cl)CC1 ZINC000980838334 901126773 /nfs/dbraw/zinc/12/67/73/901126773.db2.gz NEDDSTSLTIOAQU-CJHWANRJSA-N 1 2 255.749 1.433 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[N@@H+](C/C=C\Cl)CC1 ZINC000980838334 901126778 /nfs/dbraw/zinc/12/67/78/901126778.db2.gz NEDDSTSLTIOAQU-CJHWANRJSA-N 1 2 255.749 1.433 20 30 CDEDLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]CCC#N ZINC000426002633 902336297 /nfs/dbraw/zinc/33/62/97/902336297.db2.gz GVSPQYIPVPQUDQ-UHFFFAOYSA-N 1 2 278.356 1.455 20 30 CDEDLO Cc1ccccc1C[NH+]1CC(NC(=O)[C@H](C)C#N)C1 ZINC001567785934 1168969827 /nfs/dbraw/zinc/96/98/27/1168969827.db2.gz DBYFBBXHPILLLZ-GFCCVEGCSA-N 1 2 257.337 1.455 20 30 CDEDLO C=CCS(=O)(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000711003336 903650878 /nfs/dbraw/zinc/65/08/78/903650878.db2.gz SZPHVTXDUQXWHM-AWEZNQCLSA-N 1 2 294.420 1.709 20 30 CDEDLO C=CCS(=O)(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000711003336 903650885 /nfs/dbraw/zinc/65/08/85/903650885.db2.gz SZPHVTXDUQXWHM-AWEZNQCLSA-N 1 2 294.420 1.709 20 30 CDEDLO N#C[C@H]1CCC[C@H]([NH2+]Cc2nc(C(F)(F)F)n[nH]2)C1 ZINC001363728612 904683477 /nfs/dbraw/zinc/68/34/77/904683477.db2.gz DNEUEICMSVPKCF-YUMQZZPRSA-N 1 2 273.262 1.995 20 30 CDEDLO CC#CCCCC(=O)N[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001108054620 921283033 /nfs/dbraw/zinc/28/30/33/921283033.db2.gz XYFUOILAYCXNFD-GFCCVEGCSA-N 1 2 274.368 1.895 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128463853 921320514 /nfs/dbraw/zinc/32/05/14/921320514.db2.gz ZBRJBQHOQFACHX-CYBMUJFWSA-N 1 2 290.411 1.937 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128463853 921320523 /nfs/dbraw/zinc/32/05/23/921320523.db2.gz ZBRJBQHOQFACHX-CYBMUJFWSA-N 1 2 290.411 1.937 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)cn2)C1 ZINC001189278834 921394649 /nfs/dbraw/zinc/39/46/49/921394649.db2.gz DLKYVFWXPSORHS-CQSZACIVSA-N 1 2 288.395 1.784 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C)cn2)C1 ZINC001189278834 921394656 /nfs/dbraw/zinc/39/46/56/921394656.db2.gz DLKYVFWXPSORHS-CQSZACIVSA-N 1 2 288.395 1.784 20 30 CDEDLO COC(C[N@H+](C)Cc1cccc(C#N)c1F)OC ZINC000714568502 908461002 /nfs/dbraw/zinc/46/10/02/908461002.db2.gz PCMLYBZHXKOKSE-UHFFFAOYSA-N 1 2 252.289 1.748 20 30 CDEDLO COC(C[N@@H+](C)Cc1cccc(C#N)c1F)OC ZINC000714568502 908461008 /nfs/dbraw/zinc/46/10/08/908461008.db2.gz PCMLYBZHXKOKSE-UHFFFAOYSA-N 1 2 252.289 1.748 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2snnc2C2CC2)[C@H]1C ZINC001088637455 908713247 /nfs/dbraw/zinc/71/32/47/908713247.db2.gz IFKBAEGSJHPBHR-KOLCDFICSA-N 1 2 290.392 1.241 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2snnc2C2CC2)[C@H]1C ZINC001088637455 908713264 /nfs/dbraw/zinc/71/32/64/908713264.db2.gz IFKBAEGSJHPBHR-KOLCDFICSA-N 1 2 290.392 1.241 20 30 CDEDLO C=CCOCC(=O)N1CC[C@H]([N@H+](C)Cc2coc(C)n2)C1 ZINC001189379266 921449357 /nfs/dbraw/zinc/44/93/57/921449357.db2.gz HEFSPNVYNXCJFO-AWEZNQCLSA-N 1 2 293.367 1.218 20 30 CDEDLO C=CCOCC(=O)N1CC[C@H]([N@@H+](C)Cc2coc(C)n2)C1 ZINC001189379266 921449363 /nfs/dbraw/zinc/44/93/63/921449363.db2.gz HEFSPNVYNXCJFO-AWEZNQCLSA-N 1 2 293.367 1.218 20 30 CDEDLO COc1cc(C#N)cnc1N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001168366639 909849414 /nfs/dbraw/zinc/84/94/14/909849414.db2.gz CCUZFAHKHLWLLR-GFCCVEGCSA-N 1 2 288.351 1.237 20 30 CDEDLO COc1cc(C#N)cnc1N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001168366639 909849432 /nfs/dbraw/zinc/84/94/32/909849432.db2.gz CCUZFAHKHLWLLR-GFCCVEGCSA-N 1 2 288.351 1.237 20 30 CDEDLO COC(=O)[C@H](CS)[NH2+][C@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172767831 911941364 /nfs/dbraw/zinc/94/13/64/911941364.db2.gz LOYDNCDLWPFAAA-VWYCJHECSA-N 1 2 289.397 1.169 20 30 CDEDLO O=C(C#Cc1ccccn1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001177801996 914944656 /nfs/dbraw/zinc/94/46/56/914944656.db2.gz RKBUMFDYPRKTFO-ZDUSSCGKSA-N 1 2 280.331 1.562 20 30 CDEDLO CC(C)(S)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178119256 915186609 /nfs/dbraw/zinc/18/66/09/915186609.db2.gz LZXZMFUOKGKROE-VIFPVBQESA-N 1 2 253.371 1.270 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H]([NH2+]Cc2nc(C)no2)[C@@H]1C ZINC001178600068 915532083 /nfs/dbraw/zinc/53/20/83/915532083.db2.gz PELODIUVNKZJCL-AAEUAGOBSA-N 1 2 290.367 1.261 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2=NO[C@@H](c3ccccc3)C2)CC1 ZINC001178801328 915630764 /nfs/dbraw/zinc/63/07/64/915630764.db2.gz BDWDYSRPMAWBRO-MRXNPFEDSA-N 1 2 299.374 1.834 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)Cc1ccc(F)c(C#N)c1 ZINC001181205220 916902158 /nfs/dbraw/zinc/90/21/58/916902158.db2.gz OOXVUENATGHQCP-UHFFFAOYSA-N 1 2 286.310 1.332 20 30 CDEDLO C#CCCCCC(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001182108310 917660223 /nfs/dbraw/zinc/66/02/23/917660223.db2.gz KPLIDKQTTLEZRB-CYBMUJFWSA-N 1 2 290.367 1.262 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NC/C=C\CNc1cc[nH+]c(C)n1 ZINC001107148410 918215277 /nfs/dbraw/zinc/21/52/77/918215277.db2.gz JCGMOVQROGJRPU-IYKSTZQJSA-N 1 2 290.367 1.196 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NC[C@@]1(C)C[N@H+](CC=C)CCO1 ZINC001107794264 918782386 /nfs/dbraw/zinc/78/23/86/918782386.db2.gz YUMUFSLQLCMSGH-HOCLYGCPSA-N 1 2 296.411 1.361 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NC[C@@]1(C)C[N@@H+](CC=C)CCO1 ZINC001107794264 918782398 /nfs/dbraw/zinc/78/23/98/918782398.db2.gz YUMUFSLQLCMSGH-HOCLYGCPSA-N 1 2 296.411 1.361 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)OCCCC)C1 ZINC001107791691 918788104 /nfs/dbraw/zinc/78/81/04/918788104.db2.gz CNJPNDSWANHLIN-GDBMZVCRSA-N 1 2 298.427 1.585 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)OCCCC)C1 ZINC001107791691 918788116 /nfs/dbraw/zinc/78/81/16/918788116.db2.gz CNJPNDSWANHLIN-GDBMZVCRSA-N 1 2 298.427 1.585 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CC(C)C2)C1 ZINC001107859557 918909795 /nfs/dbraw/zinc/90/97/95/918909795.db2.gz XRCGMAGJVIPRAW-PIMMBPRGSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CC(C)C2)C1 ZINC001107859557 918909807 /nfs/dbraw/zinc/90/98/07/918909807.db2.gz XRCGMAGJVIPRAW-PIMMBPRGSA-N 1 2 266.385 1.426 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]nc1CCC ZINC001032492706 919228466 /nfs/dbraw/zinc/22/84/66/919228466.db2.gz SVHHOCLXLLWBQH-STQMWFEESA-N 1 2 286.379 1.284 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]nc1CCC ZINC001032492706 919228483 /nfs/dbraw/zinc/22/84/83/919228483.db2.gz SVHHOCLXLLWBQH-STQMWFEESA-N 1 2 286.379 1.284 20 30 CDEDLO C=CCCCC[NH+]1CC2(C1)COCC(=O)N2[C@@H](C)C(C)=O ZINC001273494667 919351524 /nfs/dbraw/zinc/35/15/24/919351524.db2.gz DCYAHXLMUIYQMA-ZDUSSCGKSA-N 1 2 294.395 1.233 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001185064428 919388472 /nfs/dbraw/zinc/38/84/72/919388472.db2.gz OBVDXRGXZMANLQ-QWHCGFSZSA-N 1 2 292.383 1.671 20 30 CDEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(N3CCOCC3)nc2)C1 ZINC001139436213 936620407 /nfs/dbraw/zinc/62/04/07/936620407.db2.gz KKSYSYZYTAOSMF-INIZCTEOSA-N 1 2 286.379 1.654 20 30 CDEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(N3CCOCC3)nc2)C1 ZINC001139436213 936620409 /nfs/dbraw/zinc/62/04/09/936620409.db2.gz KKSYSYZYTAOSMF-INIZCTEOSA-N 1 2 286.379 1.654 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC2(F)F)C1 ZINC001108017003 919959064 /nfs/dbraw/zinc/95/90/64/919959064.db2.gz LYUBIBUXSZWXGR-DGCLKSJQSA-N 1 2 288.338 1.425 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC2(F)F)C1 ZINC001108017003 919959073 /nfs/dbraw/zinc/95/90/73/919959073.db2.gz LYUBIBUXSZWXGR-DGCLKSJQSA-N 1 2 288.338 1.425 20 30 CDEDLO C=CCN1CC[NH+](Cc2ccc(N(C)C)nc2)CC1 ZINC001139457064 936622634 /nfs/dbraw/zinc/62/26/34/936622634.db2.gz LSRVUQWWQJBSJT-UHFFFAOYSA-N 1 2 260.385 1.451 20 30 CDEDLO COC(=O)[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC001139649774 936634195 /nfs/dbraw/zinc/63/41/95/936634195.db2.gz FRDZCMVLJSMULQ-CQSZACIVSA-N 1 2 292.310 1.461 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC001139649774 936634197 /nfs/dbraw/zinc/63/41/97/936634197.db2.gz FRDZCMVLJSMULQ-CQSZACIVSA-N 1 2 292.310 1.461 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nccs1)C2 ZINC001098089381 936636651 /nfs/dbraw/zinc/63/66/51/936636651.db2.gz ZGSRMGZBKAYOIN-MXWKQRLJSA-N 1 2 261.350 1.111 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nccs1)C2 ZINC001098089381 936636652 /nfs/dbraw/zinc/63/66/52/936636652.db2.gz ZGSRMGZBKAYOIN-MXWKQRLJSA-N 1 2 261.350 1.111 20 30 CDEDLO CNC(=O)N1CC[NH+](Cc2c[nH]c3c2cccc3C#N)CC1 ZINC001139707066 936638279 /nfs/dbraw/zinc/63/82/79/936638279.db2.gz OFRFWJJJRJRTHU-UHFFFAOYSA-N 1 2 297.362 1.497 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001187191150 920397306 /nfs/dbraw/zinc/39/73/06/920397306.db2.gz HARZPXOJPWGALL-GXTWGEPZSA-N 1 2 275.352 1.674 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001187191150 920397321 /nfs/dbraw/zinc/39/73/21/920397321.db2.gz HARZPXOJPWGALL-GXTWGEPZSA-N 1 2 275.352 1.674 20 30 CDEDLO CNC(=O)N1CC[NH+](Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140115505 936680236 /nfs/dbraw/zinc/68/02/36/936680236.db2.gz DKMBPHVJXLENFF-UHFFFAOYSA-N 1 2 297.362 1.497 20 30 CDEDLO C[N@H+](Cc1ccon1)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190076124 921833865 /nfs/dbraw/zinc/83/38/65/921833865.db2.gz KKAMKGHVIPNPLX-CQSZACIVSA-N 1 2 289.379 1.757 20 30 CDEDLO C[N@@H+](Cc1ccon1)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190076124 921833875 /nfs/dbraw/zinc/83/38/75/921833875.db2.gz KKAMKGHVIPNPLX-CQSZACIVSA-N 1 2 289.379 1.757 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(COC)CCC2)C1 ZINC001108076037 921894481 /nfs/dbraw/zinc/89/44/81/921894481.db2.gz HPHLYEGBVYIIPP-OAHLLOKOSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2(COC)CCC2)C1 ZINC001108076037 921894492 /nfs/dbraw/zinc/89/44/92/921894492.db2.gz HPHLYEGBVYIIPP-OAHLLOKOSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CCC1(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC001190793504 922202815 /nfs/dbraw/zinc/20/28/15/922202815.db2.gz DWSUNUMDNOZGEN-UHFFFAOYSA-N 1 2 295.408 1.959 20 30 CDEDLO CO[C@@H]1C[N@H+](Cc2cc(F)c(C#N)c(F)c2)C[C@@H]1OC ZINC001140751303 936750030 /nfs/dbraw/zinc/75/00/30/936750030.db2.gz QTKGZBSECOKMFQ-OKILXGFUSA-N 1 2 282.290 1.682 20 30 CDEDLO CO[C@@H]1C[N@@H+](Cc2cc(F)c(C#N)c(F)c2)C[C@@H]1OC ZINC001140751303 936750032 /nfs/dbraw/zinc/75/00/32/936750032.db2.gz QTKGZBSECOKMFQ-OKILXGFUSA-N 1 2 282.290 1.682 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@H]1O ZINC001193354422 923624335 /nfs/dbraw/zinc/62/43/35/923624335.db2.gz YRHFKIRQAJYYLQ-ZIAGYGMSSA-N 1 2 293.367 1.001 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@H]1O ZINC001193354422 923624341 /nfs/dbraw/zinc/62/43/41/923624341.db2.gz YRHFKIRQAJYYLQ-ZIAGYGMSSA-N 1 2 293.367 1.001 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H]1O ZINC001193400689 923661125 /nfs/dbraw/zinc/66/11/25/923661125.db2.gz WYRPECZIHBSGGJ-ZIAGYGMSSA-N 1 2 293.367 1.001 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H]1O ZINC001193400689 923661135 /nfs/dbraw/zinc/66/11/35/923661135.db2.gz WYRPECZIHBSGGJ-ZIAGYGMSSA-N 1 2 293.367 1.001 20 30 CDEDLO CC(C)[NH+]1CC(NC(=O)c2ccc(O)c(C#N)c2)C1 ZINC001193514957 923762994 /nfs/dbraw/zinc/76/29/94/923762994.db2.gz ISZCYCNOWJFPFT-UHFFFAOYSA-N 1 2 259.309 1.086 20 30 CDEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@H]2O)CCC1 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C=CCCC(=O)N1CCC[N@H+](CC(=O)N[C@H](C)CC)CC1 ZINC001195192268 924491511 /nfs/dbraw/zinc/49/15/11/924491511.db2.gz VQJMJDZUNVECPC-CQSZACIVSA-N 1 2 295.427 1.402 20 30 CDEDLO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nc(Cl)cs2)C1 ZINC001080328597 924535288 /nfs/dbraw/zinc/53/52/88/924535288.db2.gz TVZIKNQNUKOLOH-RKDXNWHRSA-N 1 2 283.784 1.480 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nc(Cl)cs2)C1 ZINC001080328597 924535296 /nfs/dbraw/zinc/53/52/96/924535296.db2.gz TVZIKNQNUKOLOH-RKDXNWHRSA-N 1 2 283.784 1.480 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ncccn2)C1 ZINC001080653606 924611073 /nfs/dbraw/zinc/61/10/73/924611073.db2.gz GAHAFAQJXNWPLS-MWLCHTKSSA-N 1 2 280.759 1.279 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ncccn2)C1 ZINC001080653606 924611080 /nfs/dbraw/zinc/61/10/80/924611080.db2.gz GAHAFAQJXNWPLS-MWLCHTKSSA-N 1 2 280.759 1.279 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2scnc2CC)[C@H](OC)C1 ZINC001081770186 924791681 /nfs/dbraw/zinc/79/16/81/924791681.db2.gz 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/nfs/dbraw/zinc/12/88/96/926128896.db2.gz ICZIXMUYZHPUJA-ZDUSSCGKSA-N 1 2 261.300 1.000 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cncc(F)c1 ZINC001085540843 926128898 /nfs/dbraw/zinc/12/88/98/926128898.db2.gz ICZIXMUYZHPUJA-ZDUSSCGKSA-N 1 2 261.300 1.000 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccoc1CC ZINC001085572088 926167703 /nfs/dbraw/zinc/16/77/03/926167703.db2.gz QVHCDOCSQCADIB-GFCCVEGCSA-N 1 2 260.337 1.622 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccoc1CC ZINC001085572088 926167704 /nfs/dbraw/zinc/16/77/04/926167704.db2.gz QVHCDOCSQCADIB-GFCCVEGCSA-N 1 2 260.337 1.622 20 30 CDEDLO C[C@H](CC(=O)NC[C@@H]1CN(CC#N)C[C@H]1C)n1cc[nH+]c1 ZINC001102413359 937057103 /nfs/dbraw/zinc/05/71/03/937057103.db2.gz CRVVHTRPEQVQAO-MGPQQGTHSA-N 1 2 289.383 1.042 20 30 CDEDLO C=CCn1cccc1C(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001085641161 926240318 /nfs/dbraw/zinc/24/03/18/926240318.db2.gz FVCIVRRVGTZLNG-CYBMUJFWSA-N 1 2 279.359 1.790 20 30 CDEDLO C=CCn1cccc1C(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001085641161 926240325 /nfs/dbraw/zinc/24/03/25/926240325.db2.gz FVCIVRRVGTZLNG-CYBMUJFWSA-N 1 2 279.359 1.790 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1occ2c1CCOC2 ZINC001085743325 926340252 /nfs/dbraw/zinc/34/02/52/926340252.db2.gz LIDIHMIHLUCMID-CYBMUJFWSA-N 1 2 288.347 1.132 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1occ2c1CCOC2 ZINC001085743325 926340258 /nfs/dbraw/zinc/34/02/58/926340258.db2.gz LIDIHMIHLUCMID-CYBMUJFWSA-N 1 2 288.347 1.132 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ocnc1C(F)F ZINC001085820129 926427451 /nfs/dbraw/zinc/42/74/51/926427451.db2.gz QXVVPKLPEJNMQC-VIFPVBQESA-N 1 2 285.294 1.945 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ocnc1C(F)F ZINC001085820129 926427453 /nfs/dbraw/zinc/42/74/53/926427453.db2.gz QXVVPKLPEJNMQC-VIFPVBQESA-N 1 2 285.294 1.945 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1C/C=C/Cl ZINC001085826896 926428268 /nfs/dbraw/zinc/42/82/68/926428268.db2.gz BWGXDGAJXYOZDA-JGUMUOKQSA-N 1 2 298.814 1.863 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1C/C=C/Cl ZINC001085826896 926428272 /nfs/dbraw/zinc/42/82/72/926428272.db2.gz BWGXDGAJXYOZDA-JGUMUOKQSA-N 1 2 298.814 1.863 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C2CC2)nc1 ZINC001085857812 926454543 /nfs/dbraw/zinc/45/45/43/926454543.db2.gz IDUZFBZZOUSJHK-AWEZNQCLSA-N 1 2 284.363 1.134 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C2CC2)nc1 ZINC001085857812 926454547 /nfs/dbraw/zinc/45/45/47/926454547.db2.gz IDUZFBZZOUSJHK-AWEZNQCLSA-N 1 2 284.363 1.134 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2c(cn1)OCCC2 ZINC001085950070 926535186 /nfs/dbraw/zinc/53/51/86/926535186.db2.gz WJPAMZPCQOWOOF-AWEZNQCLSA-N 1 2 299.374 1.186 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2c(cn1)OCCC2 ZINC001085950070 926535195 /nfs/dbraw/zinc/53/51/95/926535195.db2.gz WJPAMZPCQOWOOF-AWEZNQCLSA-N 1 2 299.374 1.186 20 30 CDEDLO Cc1nc(N2CCCC[C@@H](NC(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001102854535 937093409 /nfs/dbraw/zinc/09/34/09/937093409.db2.gz SHKBKDPMHPFIFJ-WCQYABFASA-N 1 2 287.367 1.420 20 30 CDEDLO CC[C@@H](CNC(=O)C#CC1CC1)Nc1cc[nH+]c(C)n1 ZINC001103055243 937117539 /nfs/dbraw/zinc/11/75/39/937117539.db2.gz WYGCGXMJWGZULT-ZDUSSCGKSA-N 1 2 272.352 1.505 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001490556698 927231740 /nfs/dbraw/zinc/23/17/40/927231740.db2.gz AGFIVDXJRVYRKL-STQMWFEESA-N 1 2 291.399 1.108 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001490556698 927231754 /nfs/dbraw/zinc/23/17/54/927231754.db2.gz AGFIVDXJRVYRKL-STQMWFEESA-N 1 2 291.399 1.108 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccnc(C)c2)C1 ZINC001108293664 927347336 /nfs/dbraw/zinc/34/73/36/927347336.db2.gz JQUYSAVEQDOHDC-INIZCTEOSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccnc(C)c2)C1 ZINC001108293664 927347346 /nfs/dbraw/zinc/34/73/46/927347346.db2.gz JQUYSAVEQDOHDC-INIZCTEOSA-N 1 2 289.379 1.397 20 30 CDEDLO Cc1nc(NC[C@H](C)NC(=O)C#CC(C)C)cc[nH+]1 ZINC001108342263 927419022 /nfs/dbraw/zinc/41/90/22/927419022.db2.gz ZJSLJSMKGPFFGK-NSHDSACASA-N 1 2 260.341 1.361 20 30 CDEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)OCC ZINC001168983658 927571325 /nfs/dbraw/zinc/57/13/25/927571325.db2.gz KIPBYPBJLKSPFN-HKUMRIAESA-N 1 2 282.340 1.529 20 30 CDEDLO C[C@@H](CNc1ccc(C#N)nc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001108762803 928627190 /nfs/dbraw/zinc/62/71/90/928627190.db2.gz DPOKGCTVDZESLQ-NSHDSACASA-N 1 2 298.350 1.226 20 30 CDEDLO C[C@@H](CNc1ccc(C#N)nc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001108762803 928627198 /nfs/dbraw/zinc/62/71/98/928627198.db2.gz DPOKGCTVDZESLQ-NSHDSACASA-N 1 2 298.350 1.226 20 30 CDEDLO C=C[C@](C)(O)C[N@@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001252556398 929215163 /nfs/dbraw/zinc/21/51/63/929215163.db2.gz BYXCYUBTATUMLX-XKNYDFJKSA-N 1 2 251.248 1.327 20 30 CDEDLO C=C[C@](C)(O)C[N@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001252556398 929215175 /nfs/dbraw/zinc/21/51/75/929215175.db2.gz BYXCYUBTATUMLX-XKNYDFJKSA-N 1 2 251.248 1.327 20 30 CDEDLO C=C[C@H]1C[C@]1(NC(=O)c1cc2c[nH+]ccc2[nH]1)C(=O)OCC ZINC001151976906 937324133 /nfs/dbraw/zinc/32/41/33/937324133.db2.gz WJENDUMOYPAMHW-MEDUHNTESA-N 1 2 299.330 1.801 20 30 CDEDLO C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001114341206 929582801 /nfs/dbraw/zinc/58/28/01/929582801.db2.gz VHRQTGANTBQALB-IMRBUKKESA-N 1 2 290.367 1.218 20 30 CDEDLO C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001114341206 929582812 /nfs/dbraw/zinc/58/28/12/929582812.db2.gz VHRQTGANTBQALB-IMRBUKKESA-N 1 2 290.367 1.218 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCCc2ncc(C)o2)CC1 ZINC001112939937 929584595 /nfs/dbraw/zinc/58/45/95/929584595.db2.gz NUQQTEYSYFXFMJ-UHFFFAOYSA-N 1 2 289.379 1.473 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H](OCC)C(C)C)CC1 ZINC001112966036 929607867 /nfs/dbraw/zinc/60/78/67/929607867.db2.gz SNAQNOWCALKRSM-HNNXBMFYSA-N 1 2 280.412 1.605 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc3sccn23)CC1 ZINC001152217522 937344897 /nfs/dbraw/zinc/34/48/97/937344897.db2.gz GSZYDRHUVFFENB-UHFFFAOYSA-N 1 2 276.365 1.340 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001134412120 929737290 /nfs/dbraw/zinc/73/72/90/929737290.db2.gz VQWABYXNXNPWAE-UHFFFAOYSA-N 1 2 280.372 1.440 20 30 CDEDLO CC[N@H+](Cc1coc(C)n1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152413146 937359891 /nfs/dbraw/zinc/35/98/91/937359891.db2.gz JIJLUQCJEXTLBP-GHMZBOCLSA-N 1 2 278.356 1.469 20 30 CDEDLO CC[N@@H+](Cc1coc(C)n1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152413146 937359894 /nfs/dbraw/zinc/35/98/94/937359894.db2.gz JIJLUQCJEXTLBP-GHMZBOCLSA-N 1 2 278.356 1.469 20 30 CDEDLO Cc1nc(N[C@H](C)CN(C)C(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001115682200 937412188 /nfs/dbraw/zinc/41/21/88/937412188.db2.gz IVUQQPPREKRFIS-SNVBAGLBSA-N 1 2 298.350 1.557 20 30 CDEDLO C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001153393184 937444488 /nfs/dbraw/zinc/44/44/88/937444488.db2.gz OOGUJSJHFZDCSU-OLZOCXBDSA-N 1 2 288.395 1.289 20 30 CDEDLO C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001153393184 937444490 /nfs/dbraw/zinc/44/44/90/937444490.db2.gz OOGUJSJHFZDCSU-OLZOCXBDSA-N 1 2 288.395 1.289 20 30 CDEDLO C=C[C@@H]1C[C@@]1(Nc1c[nH+]c2c(c1)CCCN2)C(=O)OCC ZINC001170926491 930795937 /nfs/dbraw/zinc/79/59/37/930795937.db2.gz CCFKKCLNDJVKOZ-WBMJQRKESA-N 1 2 287.363 1.647 20 30 CDEDLO Cn1cc(NC(=[NH2+])c2ccc3ccccc3n2)cnc1=O ZINC001171049008 931408385 /nfs/dbraw/zinc/40/83/85/931408385.db2.gz YPHRBTXNYXGVFZ-UHFFFAOYSA-N 1 2 279.303 1.366 20 30 CDEDLO Cc1cccn2c(CN3CCC(=O)[C@H](C#N)C3)c[nH+]c12 ZINC001136964384 931486667 /nfs/dbraw/zinc/48/66/67/931486667.db2.gz MNWHDENWJVBPRT-GFCCVEGCSA-N 1 2 268.320 1.557 20 30 CDEDLO C[N@@H+]1CCc2nc(C(=O)N3CCC[C@H](C#N)C3)sc2C1 ZINC001154219398 937518526 /nfs/dbraw/zinc/51/85/26/937518526.db2.gz SJPJVACCKNTQJO-SNVBAGLBSA-N 1 2 290.392 1.507 20 30 CDEDLO C[N@H+]1CCc2nc(C(=O)N3CCC[C@H](C#N)C3)sc2C1 ZINC001154219398 937518527 /nfs/dbraw/zinc/51/85/27/937518527.db2.gz SJPJVACCKNTQJO-SNVBAGLBSA-N 1 2 290.392 1.507 20 30 CDEDLO N#Cc1cncc(C[NH+]2CC3(C2)C[C@H](F)CS3)c1 ZINC001144083533 931652379 /nfs/dbraw/zinc/65/23/79/931652379.db2.gz JIMIHOOPBYYFLZ-LBPRGKRZSA-N 1 2 263.341 1.983 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc3ccccc3nc2N)CC1 ZINC001154284518 937524881 /nfs/dbraw/zinc/52/48/81/937524881.db2.gz HOSYYMBHXCROQI-UHFFFAOYSA-N 1 2 296.374 1.761 20 30 CDEDLO CN1C[C@@H]2C[N@@H+](Cc3c[nH]c4ccc(C#N)cc34)C[C@H](C1)O2 ZINC001275949517 932162128 /nfs/dbraw/zinc/16/21/28/932162128.db2.gz GHFJVAGXJBNSRF-GASCZTMLSA-N 1 2 296.374 1.554 20 30 CDEDLO CN1C[C@@H]2C[N@H+](Cc3c[nH]c4ccc(C#N)cc34)C[C@H](C1)O2 ZINC001275949517 932162132 /nfs/dbraw/zinc/16/21/32/932162132.db2.gz GHFJVAGXJBNSRF-GASCZTMLSA-N 1 2 296.374 1.554 20 30 CDEDLO Cc1c[nH+]c(NC[C@@H]2CCNC(=O)C2)c(/C=N/O)c1 ZINC001154933912 937607472 /nfs/dbraw/zinc/60/74/72/937607472.db2.gz MSSYRLGNKYRUCO-UWOUAGFBSA-N 1 2 262.313 1.136 20 30 CDEDLO Cc1[nH]c(CNC(=O)c2ccc(C#N)c(O)c2)[nH+]c1C ZINC001412636757 932582938 /nfs/dbraw/zinc/58/29/38/932582938.db2.gz GKTKUNBSLDLCPA-UHFFFAOYSA-N 1 2 270.292 1.534 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2CN(C(=O)C(F)C(F)(F)F)C[C@]2(C)C1 ZINC001091691413 932665461 /nfs/dbraw/zinc/66/54/61/932665461.db2.gz SWWNFDVLPSYIHM-FOGDFJRCSA-N 1 2 292.276 1.300 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2CN(C(=O)C(F)C(F)(F)F)C[C@]2(C)C1 ZINC001091691413 932665465 /nfs/dbraw/zinc/66/54/65/932665465.db2.gz SWWNFDVLPSYIHM-FOGDFJRCSA-N 1 2 292.276 1.300 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](F)C(F)(F)F)C[C@]2(C)C1 ZINC001091691413 932665468 /nfs/dbraw/zinc/66/54/68/932665468.db2.gz SWWNFDVLPSYIHM-FOGDFJRCSA-N 1 2 292.276 1.300 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](F)C(F)(F)F)C[C@]2(C)C1 ZINC001091691413 932665472 /nfs/dbraw/zinc/66/54/72/932665472.db2.gz SWWNFDVLPSYIHM-FOGDFJRCSA-N 1 2 292.276 1.300 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3c(F)cc(C#N)cc3F)C[C@@H]21 ZINC001276287775 932710944 /nfs/dbraw/zinc/71/09/44/932710944.db2.gz RCUMTZLZXHGVRI-GJZGRUSLSA-N 1 2 293.317 1.351 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3c(F)cc(C#N)cc3F)C[C@@H]21 ZINC001276287775 932710948 /nfs/dbraw/zinc/71/09/48/932710948.db2.gz RCUMTZLZXHGVRI-GJZGRUSLSA-N 1 2 293.317 1.351 20 30 CDEDLO C=CCc1cc(C)c[nH+]c1N[C@@H]1C(=O)N(O)C[C@@H]1C ZINC001171363312 932866248 /nfs/dbraw/zinc/86/62/48/932866248.db2.gz XXEPMCXUDLDXJQ-JQWIXIFHSA-N 1 2 261.325 1.767 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171365367 932874293 /nfs/dbraw/zinc/87/42/93/932874293.db2.gz IRHDXRDRBRKKSP-OLZOCXBDSA-N 1 2 277.318 1.619 20 30 CDEDLO Nc1cnnc(N=NCc2c[nH+]c3n2CCC3)c1Cl ZINC001118525603 937637015 /nfs/dbraw/zinc/63/70/15/937637015.db2.gz OOJYOGGQIZBQCU-UHFFFAOYSA-N 1 2 277.719 1.301 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNc2nccc(Cl)c2C#N)C1 ZINC001155194505 937647905 /nfs/dbraw/zinc/64/79/05/937647905.db2.gz RBXKTEPWEXIAKZ-VIFPVBQESA-N 1 2 266.732 1.349 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNc2nccc(Cl)c2C#N)C1 ZINC001155194505 937647907 /nfs/dbraw/zinc/64/79/07/937647907.db2.gz RBXKTEPWEXIAKZ-VIFPVBQESA-N 1 2 266.732 1.349 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+][C@H](C)CCSC ZINC001258199562 934580460 /nfs/dbraw/zinc/58/04/60/934580460.db2.gz HRUHFVCDFBQCSZ-BDAKNGLRSA-N 1 2 251.417 1.579 20 30 CDEDLO C#CCOCCC(=O)N(C)C[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001120150492 937783241 /nfs/dbraw/zinc/78/32/41/937783241.db2.gz DQXGDGAAZONRIV-LBPRGKRZSA-N 1 2 290.367 1.084 20 30 CDEDLO CCOC[C@@H]1C[N@H+](C[C@H](O)c2cccc(C#N)c2)CCO1 ZINC001413039491 935192881 /nfs/dbraw/zinc/19/28/81/935192881.db2.gz AXVHUXRJNRQRAY-HOTGVXAUSA-N 1 2 290.363 1.329 20 30 CDEDLO CCOC[C@@H]1C[N@@H+](C[C@H](O)c2cccc(C#N)c2)CCO1 ZINC001413039491 935192886 /nfs/dbraw/zinc/19/28/86/935192886.db2.gz AXVHUXRJNRQRAY-HOTGVXAUSA-N 1 2 290.363 1.329 20 30 CDEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCF)c1 ZINC001095987867 935864546 /nfs/dbraw/zinc/86/45/46/935864546.db2.gz OMAQUXYWGWZAKE-ILXRZTDVSA-N 1 2 287.338 1.368 20 30 CDEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCF)c1 ZINC001095987867 935864550 /nfs/dbraw/zinc/86/45/50/935864550.db2.gz OMAQUXYWGWZAKE-ILXRZTDVSA-N 1 2 287.338 1.368 20 30 CDEDLO Cc1nc(N2CCC[C@H](NC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001096178386 935997566 /nfs/dbraw/zinc/99/75/66/935997566.db2.gz AMSRNOTXRAYHHP-AWEZNQCLSA-N 1 2 284.363 1.283 20 30 CDEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nccs1)C2 ZINC001096229150 936014203 /nfs/dbraw/zinc/01/42/03/936014203.db2.gz HWXLXKDSRBLRDZ-WOPDTQHZSA-N 1 2 275.377 1.502 20 30 CDEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nccs1)C2 ZINC001096229150 936014205 /nfs/dbraw/zinc/01/42/05/936014205.db2.gz HWXLXKDSRBLRDZ-WOPDTQHZSA-N 1 2 275.377 1.502 20 30 CDEDLO Cc1nc(N2CC[C@@H](NC(=O)[C@H](C)C#N)C2)c(C)c(C)[nH+]1 ZINC001096339355 936046893 /nfs/dbraw/zinc/04/68/93/936046893.db2.gz QZLKKTYVZCTWJM-NOZJJQNGSA-N 1 2 287.367 1.256 20 30 CDEDLO COc1cc(C[N@@H+]2CCCC23COC3)ccc1C#N ZINC001238406457 945171443 /nfs/dbraw/zinc/17/14/43/945171443.db2.gz CWXGRVNIMQNARS-UHFFFAOYSA-N 1 2 258.321 1.932 20 30 CDEDLO COc1cc(C[N@H+]2CCCC23COC3)ccc1C#N ZINC001238406457 945171448 /nfs/dbraw/zinc/17/14/48/945171448.db2.gz CWXGRVNIMQNARS-UHFFFAOYSA-N 1 2 258.321 1.932 20 30 CDEDLO N#CCc1cc[nH+]c(NCC2CCS(=O)(=O)CC2)c1 ZINC001157509693 938503788 /nfs/dbraw/zinc/50/37/88/938503788.db2.gz YOORKROCJLCHDH-UHFFFAOYSA-N 1 2 279.365 1.384 20 30 CDEDLO N#CCc1cc[nH+]c(N2CC[C@H](Oc3ncc(F)cn3)C2)c1 ZINC001158353462 938613448 /nfs/dbraw/zinc/61/34/48/938613448.db2.gz KLJKQQWDZKQMIH-ZDUSSCGKSA-N 1 2 299.309 1.734 20 30 CDEDLO C[N@@H+]1CCOC[C@H]1CNc1ccc(C2(C#N)CCC2)cn1 ZINC001158702187 938652062 /nfs/dbraw/zinc/65/20/62/938652062.db2.gz OGWWIZXOPJJSNW-CQSZACIVSA-N 1 2 286.379 1.769 20 30 CDEDLO C[N@H+]1CCOC[C@H]1CNc1ccc(C2(C#N)CCC2)cn1 ZINC001158702187 938652063 /nfs/dbraw/zinc/65/20/63/938652063.db2.gz OGWWIZXOPJJSNW-CQSZACIVSA-N 1 2 286.379 1.769 20 30 CDEDLO Cc1cc(N2CC([NH+]3C[C@H](C)O[C@@H](C)C3)C2)ncc1C#N ZINC001158716972 938655804 /nfs/dbraw/zinc/65/58/04/938655804.db2.gz MTINEEZFWPPOIX-STQMWFEESA-N 1 2 286.379 1.560 20 30 CDEDLO N#CCNCCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001163473915 939273749 /nfs/dbraw/zinc/27/37/49/939273749.db2.gz YQWGDHXICNCORA-UHFFFAOYSA-N 1 2 283.335 1.105 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1cccc(Cl)n1 ZINC001164625636 939500209 /nfs/dbraw/zinc/50/02/09/939500209.db2.gz IMLMQDIPQIUDNK-MRVPVSSYSA-N 1 2 272.686 1.582 20 30 CDEDLO CSc1nn(-c2ccn3cc[nH+]c3c2)c(N)c1C#N ZINC001204966193 939809129 /nfs/dbraw/zinc/80/91/29/939809129.db2.gz QMNOMBVRJIAVPN-UHFFFAOYSA-N 1 2 270.321 1.696 20 30 CDEDLO C=CCCC(=O)N1CCC[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001207635940 940224596 /nfs/dbraw/zinc/22/45/96/940224596.db2.gz ONOHHSUMWVWUNN-LBPRGKRZSA-N 1 2 278.356 1.425 20 30 CDEDLO Cn1ccc(N2CC3(CC[N@@H+]3Cc3cc(C#N)n(C)c3)C2)n1 ZINC001277044890 941861654 /nfs/dbraw/zinc/86/16/54/941861654.db2.gz UUJPNIPLIUQYJG-UHFFFAOYSA-N 1 2 296.378 1.095 20 30 CDEDLO Cn1ccc(N2CC3(CC[N@H+]3Cc3cc(C#N)n(C)c3)C2)n1 ZINC001277044890 941861656 /nfs/dbraw/zinc/86/16/56/941861656.db2.gz UUJPNIPLIUQYJG-UHFFFAOYSA-N 1 2 296.378 1.095 20 30 CDEDLO CC(=O)Nc1ccccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001226050321 941945235 /nfs/dbraw/zinc/94/52/35/941945235.db2.gz COZFUFAXDGMZCD-UCHAVSLVSA-N 1 2 288.347 1.636 20 30 CDEDLO CC(=O)Nc1ccccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001226050321 941945238 /nfs/dbraw/zinc/94/52/38/941945238.db2.gz COZFUFAXDGMZCD-UCHAVSLVSA-N 1 2 288.347 1.636 20 30 CDEDLO C=CCCC(=O)NC1CC[NH+](Cc2nccc(C)n2)CC1 ZINC001226527748 942020082 /nfs/dbraw/zinc/02/00/82/942020082.db2.gz NISQJLVIQROAAN-UHFFFAOYSA-N 1 2 288.395 1.832 20 30 CDEDLO Cc1noc([C@H](C)[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)n1 ZINC001226647665 942041200 /nfs/dbraw/zinc/04/12/00/942041200.db2.gz CZAKMDJNBXAMAN-ZJUUUORDSA-N 1 2 291.355 1.179 20 30 CDEDLO C[N+](C)(C)C[C@@H](CC#N)Oc1nc2nc[nH]c2c(=S)[nH]1 ZINC001226781487 942069857 /nfs/dbraw/zinc/06/98/57/942069857.db2.gz CEFICLCJPYAGPJ-MRVPVSSYSA-O 1 2 293.376 1.009 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001316601535 942419872 /nfs/dbraw/zinc/41/98/72/942419872.db2.gz OVETWMYHXYERHV-HIFRSBDPSA-N 1 2 286.391 1.717 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001316601535 942419874 /nfs/dbraw/zinc/41/98/74/942419874.db2.gz OVETWMYHXYERHV-HIFRSBDPSA-N 1 2 286.391 1.717 20 30 CDEDLO Cc1cccc2ncnc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@H+]4C)c12 ZINC001229393095 942463097 /nfs/dbraw/zinc/46/30/97/942463097.db2.gz FOBOKPLPIRBQST-UCHAVSLVSA-N 1 2 297.358 1.929 20 30 CDEDLO Cc1cccc2ncnc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@@H+]4C)c12 ZINC001229393095 942463101 /nfs/dbraw/zinc/46/31/01/942463101.db2.gz FOBOKPLPIRBQST-UCHAVSLVSA-N 1 2 297.358 1.929 20 30 CDEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1)C(=O)C(F)F ZINC001230575194 942647681 /nfs/dbraw/zinc/64/76/81/942647681.db2.gz LTLRMDCJVHQPPQ-ZDUSSCGKSA-N 1 2 293.317 1.856 20 30 CDEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1)C(=O)C(F)F ZINC001230575194 942647683 /nfs/dbraw/zinc/64/76/83/942647683.db2.gz LTLRMDCJVHQPPQ-ZDUSSCGKSA-N 1 2 293.317 1.856 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1CC1 ZINC001230595213 942653619 /nfs/dbraw/zinc/65/36/19/942653619.db2.gz NRSKCBSKOQVJQK-GXTWGEPZSA-N 1 2 293.411 1.010 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC1CC1 ZINC001230595213 942653621 /nfs/dbraw/zinc/65/36/21/942653621.db2.gz NRSKCBSKOQVJQK-GXTWGEPZSA-N 1 2 293.411 1.010 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C=C(C)C ZINC001230681336 942673839 /nfs/dbraw/zinc/67/38/39/942673839.db2.gz DTUYSPULHMLGIX-UONOGXRCSA-N 1 2 293.411 1.176 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C=C(C)C ZINC001230681336 942673840 /nfs/dbraw/zinc/67/38/40/942673840.db2.gz DTUYSPULHMLGIX-UONOGXRCSA-N 1 2 293.411 1.176 20 30 CDEDLO CC[NH+]1CC(Oc2ncnc3c(C#N)cccc23)C1 ZINC001231030314 942760677 /nfs/dbraw/zinc/76/06/77/942760677.db2.gz GYMQUDQXBWGXAT-UHFFFAOYSA-N 1 2 254.293 1.584 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1conc1C ZINC001231122631 942791818 /nfs/dbraw/zinc/79/18/18/942791818.db2.gz LYSRCUFMEFNCRT-CQSZACIVSA-N 1 2 277.368 1.982 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1conc1C ZINC001231122631 942791824 /nfs/dbraw/zinc/79/18/24/942791824.db2.gz LYSRCUFMEFNCRT-CQSZACIVSA-N 1 2 277.368 1.982 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232268241 943196130 /nfs/dbraw/zinc/19/61/30/943196130.db2.gz NJMKSKQUAJSMOK-UHFFFAOYSA-N 1 2 295.770 1.782 20 30 CDEDLO Cn1cc(C[N@@H+]2CCC23CN(c2cnccn2)C3)cc1C#N ZINC001277663717 943271942 /nfs/dbraw/zinc/27/19/42/943271942.db2.gz HFLOIJNWDXVYHG-UHFFFAOYSA-N 1 2 294.362 1.151 20 30 CDEDLO Cn1cc(C[N@H+]2CCC23CN(c2cnccn2)C3)cc1C#N ZINC001277663717 943271950 /nfs/dbraw/zinc/27/19/50/943271950.db2.gz HFLOIJNWDXVYHG-UHFFFAOYSA-N 1 2 294.362 1.151 20 30 CDEDLO N#Cc1ccc(N2CC3(CC[N@@H+]3Cc3cn[nH]c3)C2)nc1 ZINC001277687055 943335583 /nfs/dbraw/zinc/33/55/83/943335583.db2.gz CSKYGENLIVPQMU-UHFFFAOYSA-N 1 2 280.335 1.141 20 30 CDEDLO N#Cc1ccc(N2CC3(CC[N@H+]3Cc3cn[nH]c3)C2)nc1 ZINC001277687055 943335586 /nfs/dbraw/zinc/33/55/86/943335586.db2.gz CSKYGENLIVPQMU-UHFFFAOYSA-N 1 2 280.335 1.141 20 30 CDEDLO C[N@H+](CCN1CCOCC1)Cc1cc(C#N)ccc1O ZINC001232673200 943354523 /nfs/dbraw/zinc/35/45/23/943354523.db2.gz CCJVYHSDDWNMJN-UHFFFAOYSA-N 1 2 275.352 1.028 20 30 CDEDLO C[N@@H+](CCN1CCOCC1)Cc1cc(C#N)ccc1O ZINC001232673200 943354527 /nfs/dbraw/zinc/35/45/27/943354527.db2.gz CCJVYHSDDWNMJN-UHFFFAOYSA-N 1 2 275.352 1.028 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H](O)[C@H](F)CC2)c1 ZINC001232674034 943356514 /nfs/dbraw/zinc/35/65/14/943356514.db2.gz QBTMUSJMLHNPOH-TZMCWYRMSA-N 1 2 264.300 1.559 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)c1 ZINC001232674034 943356518 /nfs/dbraw/zinc/35/65/18/943356518.db2.gz QBTMUSJMLHNPOH-TZMCWYRMSA-N 1 2 264.300 1.559 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CCNC3=O)C2)c1 ZINC001232675294 943357728 /nfs/dbraw/zinc/35/77/28/943357728.db2.gz PQZGWBXRQXZOMM-MRXNPFEDSA-N 1 2 285.347 1.366 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@]3(CCNC3=O)C2)c1 ZINC001232675294 943357734 /nfs/dbraw/zinc/35/77/34/943357734.db2.gz PQZGWBXRQXZOMM-MRXNPFEDSA-N 1 2 285.347 1.366 20 30 CDEDLO COC(=O)C1(O)CC[NH+](Cc2ccc(C)cc2C#N)CC1 ZINC001232968017 943448205 /nfs/dbraw/zinc/44/82/05/943448205.db2.gz AIXKKSFDZBJEMV-UHFFFAOYSA-N 1 2 288.347 1.367 20 30 CDEDLO N#Cc1cc[nH]c1C[N@H+]1CCC[C@]2(CCC(=O)O2)C1 ZINC001233047507 943474585 /nfs/dbraw/zinc/47/45/85/943474585.db2.gz BZUUFHPJYQUGET-AWEZNQCLSA-N 1 2 259.309 1.558 20 30 CDEDLO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@]2(CCC(=O)O2)C1 ZINC001233047507 943474589 /nfs/dbraw/zinc/47/45/89/943474589.db2.gz BZUUFHPJYQUGET-AWEZNQCLSA-N 1 2 259.309 1.558 20 30 CDEDLO Cn1cnnc1C1CC[NH+](Cc2[nH]ccc2C#N)CC1 ZINC001233047868 943474667 /nfs/dbraw/zinc/47/46/67/943474667.db2.gz NSRKGXQUDURUKL-UHFFFAOYSA-N 1 2 270.340 1.394 20 30 CDEDLO N#Cc1cc[nH]c1C[NH+]1CCC2(C[C@H](F)CO2)CC1 ZINC001233047697 943474950 /nfs/dbraw/zinc/47/49/50/943474950.db2.gz JCMPIDUOYYVADC-LBPRGKRZSA-N 1 2 263.316 1.979 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)c(O)c1 ZINC001233383878 943571390 /nfs/dbraw/zinc/57/13/90/943571390.db2.gz ZQJBZZFVKOTAFN-VXGBXAGGSA-N 1 2 250.273 1.169 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)c(O)c1 ZINC001233383878 943571393 /nfs/dbraw/zinc/57/13/93/943571393.db2.gz ZQJBZZFVKOTAFN-VXGBXAGGSA-N 1 2 250.273 1.169 20 30 CDEDLO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cc2n[nH]cc21 ZINC001233744511 943648824 /nfs/dbraw/zinc/64/88/24/943648824.db2.gz SQMWRDNOPZDDMF-BDOHNGBXSA-N 1 2 285.347 1.863 20 30 CDEDLO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cc2n[nH]cc21 ZINC001233744511 943648825 /nfs/dbraw/zinc/64/88/25/943648825.db2.gz SQMWRDNOPZDDMF-BDOHNGBXSA-N 1 2 285.347 1.863 20 30 CDEDLO C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001234425152 943833932 /nfs/dbraw/zinc/83/39/32/943833932.db2.gz MJSCFQJXSUTCOT-UWVGGRQHSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001234425152 943833936 /nfs/dbraw/zinc/83/39/36/943833936.db2.gz MJSCFQJXSUTCOT-UWVGGRQHSA-N 1 2 280.265 1.443 20 30 CDEDLO C[C@]1(CO)CC[N@H+](Cc2c(F)cc(C#N)cc2F)C[C@@H]1O ZINC001235650251 944230779 /nfs/dbraw/zinc/23/07/79/944230779.db2.gz DHCZYTZGWMZRHN-LSDHHAIUSA-N 1 2 296.317 1.402 20 30 CDEDLO C[C@]1(CO)CC[N@@H+](Cc2c(F)cc(C#N)cc2F)C[C@@H]1O ZINC001235650251 944230787 /nfs/dbraw/zinc/23/07/87/944230787.db2.gz DHCZYTZGWMZRHN-LSDHHAIUSA-N 1 2 296.317 1.402 20 30 CDEDLO N#Cc1cc(F)c(C[NH+]2CCC(NC(N)=O)CC2)c(F)c1 ZINC001235651440 944231741 /nfs/dbraw/zinc/23/17/41/944231741.db2.gz VWANROQXCUAXIS-UHFFFAOYSA-N 1 2 294.305 1.469 20 30 CDEDLO CCOC(=O)c1cc(C[N@@H+]2CCC[C@H](CC#N)C2)[nH]n1 ZINC001237034966 944640689 /nfs/dbraw/zinc/64/06/89/944640689.db2.gz KXBBJGOSZZKGHF-LLVKDONJSA-N 1 2 276.340 1.712 20 30 CDEDLO CCOC(=O)c1cc(C[N@H+]2CCC[C@H](CC#N)C2)[nH]n1 ZINC001237034966 944640694 /nfs/dbraw/zinc/64/06/94/944640694.db2.gz KXBBJGOSZZKGHF-LLVKDONJSA-N 1 2 276.340 1.712 20 30 CDEDLO COC(=O)[C@@H]([NH3+])c1ccc(-c2ccncc2C#N)cc1 ZINC001244336354 947368517 /nfs/dbraw/zinc/36/85/17/947368517.db2.gz XAFVVSUPRFTJGB-AWEZNQCLSA-N 1 2 267.288 1.793 20 30 CDEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CCOCC1 ZINC001255039223 947707771 /nfs/dbraw/zinc/70/77/71/947707771.db2.gz ZNFVQDWHJPSWMX-HNNXBMFYSA-N 1 2 288.347 1.411 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001255178320 947768718 /nfs/dbraw/zinc/76/87/18/947768718.db2.gz FACMROKTKRCTBS-CHWSQXEVSA-N 1 2 251.374 1.915 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001255178320 947768723 /nfs/dbraw/zinc/76/87/23/947768723.db2.gz FACMROKTKRCTBS-CHWSQXEVSA-N 1 2 251.374 1.915 20 30 CDEDLO COc1cccc(C[C@@H](C)N2CC[NH2+]C[C@@H]2C#N)c1 ZINC001256159894 948218347 /nfs/dbraw/zinc/21/83/47/948218347.db2.gz KMHRHLCCFXMRID-OCCSQVGLSA-N 1 2 259.353 1.424 20 30 CDEDLO CCc1cc(C#N)ccc1C[NH+]1CC(N2CC(F)C2)C1 ZINC001248748203 949120140 /nfs/dbraw/zinc/12/01/40/949120140.db2.gz AMNAAOJNRRMCEM-UHFFFAOYSA-N 1 2 273.355 1.959 20 30 CDEDLO C=CCOC[C@@H](O)C[N@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC001252473434 951324840 /nfs/dbraw/zinc/32/48/40/951324840.db2.gz KWXUTHIFFOBDDS-HNNXBMFYSA-N 1 2 291.347 1.352 20 30 CDEDLO C=CCOC[C@@H](O)C[N@@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC001252473434 951324850 /nfs/dbraw/zinc/32/48/50/951324850.db2.gz KWXUTHIFFOBDDS-HNNXBMFYSA-N 1 2 291.347 1.352 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001252595984 951490504 /nfs/dbraw/zinc/49/05/04/951490504.db2.gz LUPZZMDCDIJAFB-JSGCOSHPSA-N 1 2 294.399 1.171 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001252595984 951490513 /nfs/dbraw/zinc/49/05/13/951490513.db2.gz LUPZZMDCDIJAFB-JSGCOSHPSA-N 1 2 294.399 1.171 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCN(Cc2ccccc2)C(=O)C1 ZINC001252602476 951496808 /nfs/dbraw/zinc/49/68/08/951496808.db2.gz BHOVWJQONCTBGZ-INIZCTEOSA-N 1 2 288.391 1.658 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCN(Cc2ccccc2)C(=O)C1 ZINC001252602476 951496814 /nfs/dbraw/zinc/49/68/14/951496814.db2.gz BHOVWJQONCTBGZ-INIZCTEOSA-N 1 2 288.391 1.658 20 30 CDEDLO C=CCC[C@@H](O)C[NH2+]C1(c2ccccc2F)COC1 ZINC001252615600 951509163 /nfs/dbraw/zinc/50/91/63/951509163.db2.gz AWJJIPZQGIRZGZ-GFCCVEGCSA-N 1 2 265.328 1.968 20 30 CDEDLO COc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC001252716452 951608336 /nfs/dbraw/zinc/60/83/36/951608336.db2.gz MJZFLZDZIRROBG-UONOGXRCSA-N 1 2 290.363 1.670 20 30 CDEDLO COc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC001252716452 951608343 /nfs/dbraw/zinc/60/83/43/951608343.db2.gz MJZFLZDZIRROBG-UONOGXRCSA-N 1 2 290.363 1.670 20 30 CDEDLO C=C[C@@H](O)CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC001253571205 951957949 /nfs/dbraw/zinc/95/79/49/951957949.db2.gz BSRBDQUUMPOMRI-GFCCVEGCSA-N 1 2 281.319 1.774 20 30 CDEDLO C=C[C@H](O)CNc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001253568278 951957997 /nfs/dbraw/zinc/95/79/97/951957997.db2.gz DBHLFVTUBZVBGT-SCRDCRAPSA-N 1 2 277.368 1.654 20 30 CDEDLO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2nc(C(F)(F)F)n[nH]2)C1 ZINC001363728160 953706760 /nfs/dbraw/zinc/70/67/60/953706760.db2.gz DNEUEICMSVPKCF-HTQZYQBOSA-N 1 2 273.262 1.995 20 30 CDEDLO C=C(CC)CNC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001325618385 953987651 /nfs/dbraw/zinc/98/76/51/953987651.db2.gz GNHBWKFVSANVRC-UHFFFAOYSA-N 1 2 275.352 1.397 20 30 CDEDLO Cc1cc(C)c(CNC(=O)N2CCO[C@@H](C#N)C2)c[nH+]1 ZINC001364298848 954438931 /nfs/dbraw/zinc/43/89/31/954438931.db2.gz VDZCCJBRSQNHTN-ZDUSSCGKSA-N 1 2 274.324 1.132 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccc2cc[nH]c2n1 ZINC001492291556 955813211 /nfs/dbraw/zinc/81/32/11/955813211.db2.gz VALBXWKHKUYGQS-UHFFFAOYSA-N 1 2 292.770 1.977 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccc2cc[nH]c2n1 ZINC001492291556 955813226 /nfs/dbraw/zinc/81/32/26/955813226.db2.gz VALBXWKHKUYGQS-UHFFFAOYSA-N 1 2 292.770 1.977 20 30 CDEDLO CC(C)[C@@](O)(C[NH+]1CC(O)(CC#N)C1)c1ccccc1 ZINC001365292647 955843652 /nfs/dbraw/zinc/84/36/52/955843652.db2.gz GRKUTNLOPJJANJ-INIZCTEOSA-N 1 2 274.364 1.491 20 30 CDEDLO Cn1c[nH+]c(CCNc2c(C#N)cccc2C#N)c1 ZINC001307138012 956367851 /nfs/dbraw/zinc/36/78/51/956367851.db2.gz JFIRFCZJAIBMEY-UHFFFAOYSA-N 1 2 251.293 1.818 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC001330671510 956555287 /nfs/dbraw/zinc/55/52/87/956555287.db2.gz NJGQJEQQEFRUBB-WCBMZHEXSA-N 1 2 263.345 1.256 20 30 CDEDLO C#CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)C(=O)OC ZINC001308813031 956586456 /nfs/dbraw/zinc/58/64/56/956586456.db2.gz NOCQRSFYDXNZLY-YATPEIPISA-N 1 2 253.367 1.568 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc(C)cn1 ZINC001366651782 957083817 /nfs/dbraw/zinc/08/38/17/957083817.db2.gz RHMUNYARPMLSJJ-CYBMUJFWSA-N 1 2 296.802 1.525 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc(C)cn1 ZINC001366651782 957083830 /nfs/dbraw/zinc/08/38/30/957083830.db2.gz RHMUNYARPMLSJJ-CYBMUJFWSA-N 1 2 296.802 1.525 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1n[nH]cc1C ZINC001367511896 958087984 /nfs/dbraw/zinc/08/79/84/958087984.db2.gz HNNKFGXHFYLAQM-UHFFFAOYSA-N 1 2 270.764 1.474 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1n[nH]cc1C ZINC001367511896 958088000 /nfs/dbraw/zinc/08/80/00/958088000.db2.gz HNNKFGXHFYLAQM-UHFFFAOYSA-N 1 2 270.764 1.474 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC001336107435 960205831 /nfs/dbraw/zinc/20/58/31/960205831.db2.gz SDYTXFGNULUGOM-ZDUSSCGKSA-N 1 2 254.374 1.570 20 30 CDEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1nc(CC)c(C)s1 ZINC001323093032 960446423 /nfs/dbraw/zinc/44/64/23/960446423.db2.gz CSDSQXNUIQOBKV-UHFFFAOYSA-N 1 2 295.408 1.534 20 30 CDEDLO C#CCOCC[N@H+](C)CC(=O)Nc1nc(CC)c(C)s1 ZINC001323093032 960446428 /nfs/dbraw/zinc/44/64/28/960446428.db2.gz CSDSQXNUIQOBKV-UHFFFAOYSA-N 1 2 295.408 1.534 20 30 CDEDLO Cc1cc(C)cc(C[NH+]2CC(NC(=O)[C@H](C)C#N)C2)c1 ZINC001418976508 961213598 /nfs/dbraw/zinc/21/35/98/961213598.db2.gz QRFOWUABFNDAKD-CYBMUJFWSA-N 1 2 271.364 1.764 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCc2ncccn2)C1 ZINC001419040425 961289919 /nfs/dbraw/zinc/28/99/19/961289919.db2.gz UEZQEVLZIYAZJY-UHFFFAOYSA-N 1 2 294.786 1.210 20 30 CDEDLO C[C@H](c1csnn1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC001434465645 961454430 /nfs/dbraw/zinc/45/44/30/961454430.db2.gz MMTSWNMHOMVTGI-MRVPVSSYSA-N 1 2 291.384 1.341 20 30 CDEDLO C[C@H](c1csnn1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC001434465645 961454440 /nfs/dbraw/zinc/45/44/40/961454440.db2.gz MMTSWNMHOMVTGI-MRVPVSSYSA-N 1 2 291.384 1.341 20 30 CDEDLO C#CCN(CC#CC)c1nnc([C@H]2CCCC[N@@H+]2C)n1C ZINC001338416742 961789860 /nfs/dbraw/zinc/78/98/60/961789860.db2.gz MHHFZIBEUFNEGB-CQSZACIVSA-N 1 2 285.395 1.435 20 30 CDEDLO C#CCN(CC#CC)c1nnc([C@H]2CCCC[N@H+]2C)n1C ZINC001338416742 961789869 /nfs/dbraw/zinc/78/98/69/961789869.db2.gz MHHFZIBEUFNEGB-CQSZACIVSA-N 1 2 285.395 1.435 20 30 CDEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CC=C(C)CC1 ZINC001339880675 962597346 /nfs/dbraw/zinc/59/73/46/962597346.db2.gz VLAIRNVNGUAXFB-UHFFFAOYSA-N 1 2 298.394 1.945 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3C[C@H]3C)n2CC=C)CC1 ZINC001340313853 962884642 /nfs/dbraw/zinc/88/46/42/962884642.db2.gz UJHVSFLIWFHCFO-ZIAGYGMSSA-N 1 2 285.395 1.343 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1c2c(nn1C)CCC2 ZINC001437544387 963011956 /nfs/dbraw/zinc/01/19/56/963011956.db2.gz SVTQXRWVXOFQDY-UHFFFAOYSA-N 1 2 296.802 1.323 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1c2c(nn1C)CCC2 ZINC001437544387 963011967 /nfs/dbraw/zinc/01/19/67/963011967.db2.gz SVTQXRWVXOFQDY-UHFFFAOYSA-N 1 2 296.802 1.323 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1cncnc1 ZINC001439356609 963735549 /nfs/dbraw/zinc/73/55/49/963735549.db2.gz OLDOAPGEXYWBSQ-GFCCVEGCSA-N 1 2 296.802 1.598 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCc1cncnc1 ZINC001439356609 963735551 /nfs/dbraw/zinc/73/55/51/963735551.db2.gz OLDOAPGEXYWBSQ-GFCCVEGCSA-N 1 2 296.802 1.598 20 30 CDEDLO C#CCOCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001348350931 965945072 /nfs/dbraw/zinc/94/50/72/965945072.db2.gz RMFMGBFVLJKABB-UHFFFAOYSA-N 1 2 260.337 1.729 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)c2ccco2)C1 ZINC001446744503 966629435 /nfs/dbraw/zinc/62/94/35/966629435.db2.gz OPEQHFKZTACYKC-ZDUSSCGKSA-N 1 2 284.743 1.199 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccco2)C1 ZINC001446744503 966629439 /nfs/dbraw/zinc/62/94/39/966629439.db2.gz OPEQHFKZTACYKC-ZDUSSCGKSA-N 1 2 284.743 1.199 20 30 CDEDLO C=C(C)C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)[O-] ZINC001350611795 966712015 /nfs/dbraw/zinc/71/20/15/966712015.db2.gz XIPVXZHMUHOPAQ-ZIAGYGMSSA-N 1 2 282.384 1.249 20 30 CDEDLO Cc1cc(N(C)CCNC(=O)[C@@H](C)C#N)nc(C2CC2)[nH+]1 ZINC001100005160 967189385 /nfs/dbraw/zinc/18/93/85/967189385.db2.gz STJXBPNDQKUORU-JTQLQIEISA-N 1 2 287.367 1.375 20 30 CDEDLO Cc1nc(N(C)CCNC(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001100062838 967345531 /nfs/dbraw/zinc/34/55/31/967345531.db2.gz AEWFERPGYVCUOH-UHFFFAOYSA-N 1 2 274.368 1.387 20 30 CDEDLO Cn1nc2c(c1C[N@H+](C)Cc1cccc(C#N)c1)COCC2 ZINC001548438213 968001891 /nfs/dbraw/zinc/00/18/91/968001891.db2.gz ILRHHEOLVQHRMV-UHFFFAOYSA-N 1 2 296.374 1.996 20 30 CDEDLO Cn1nc2c(c1C[N@@H+](C)Cc1cccc(C#N)c1)COCC2 ZINC001548438213 968001901 /nfs/dbraw/zinc/00/19/01/968001901.db2.gz ILRHHEOLVQHRMV-UHFFFAOYSA-N 1 2 296.374 1.996 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccco3)n2CC)CC1 ZINC001353739481 968197890 /nfs/dbraw/zinc/19/78/90/968197890.db2.gz SGCSMXSPPJSAGW-UHFFFAOYSA-N 1 2 299.378 1.237 20 30 CDEDLO N#Cc1cc(C#N)c(SCc2ccc[nH+]c2N)nc1N ZINC001458857313 969358724 /nfs/dbraw/zinc/35/87/24/969358724.db2.gz JAOZESNEPAZOJW-UHFFFAOYSA-N 1 2 282.332 1.677 20 30 CDEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCC[N@@H+]2C)n1CC ZINC001356569961 969431400 /nfs/dbraw/zinc/43/14/00/969431400.db2.gz KLSBIXHHKPMLMK-STQMWFEESA-N 1 2 275.400 1.913 20 30 CDEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCC[N@H+]2C)n1CC ZINC001356569961 969431406 /nfs/dbraw/zinc/43/14/06/969431406.db2.gz KLSBIXHHKPMLMK-STQMWFEESA-N 1 2 275.400 1.913 20 30 CDEDLO C=C(C)CCC(=O)O[C@@H](COC)C[N@H+]1CCO[C@H](C)C1 ZINC001519117045 970065125 /nfs/dbraw/zinc/06/51/25/970065125.db2.gz OFKSKLGPYRMCQZ-ZIAGYGMSSA-N 1 2 285.384 1.622 20 30 CDEDLO C=C(C)CCC(=O)O[C@@H](COC)C[N@@H+]1CCO[C@H](C)C1 ZINC001519117045 970065115 /nfs/dbraw/zinc/06/51/15/970065115.db2.gz OFKSKLGPYRMCQZ-ZIAGYGMSSA-N 1 2 285.384 1.622 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)[C@@H](CC#N)c1ccccc1 ZINC001417711305 973317226 /nfs/dbraw/zinc/31/72/26/973317226.db2.gz DOYRXYPBQOXVHM-HNNXBMFYSA-N 1 2 282.347 1.776 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)COC)C1 ZINC001373397367 973412854 /nfs/dbraw/zinc/41/28/54/973412854.db2.gz KDQYOBONCFOOMZ-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)COC)C1 ZINC001373397367 973412860 /nfs/dbraw/zinc/41/28/60/973412860.db2.gz KDQYOBONCFOOMZ-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO C[N@H+](CCNC(=O)C(C)(F)F)Cc1ccccc1C#N ZINC001418440375 973831778 /nfs/dbraw/zinc/83/17/78/973831778.db2.gz SZIBSJDLQQNOAU-UHFFFAOYSA-N 1 2 281.306 1.761 20 30 CDEDLO C[N@@H+](CCNC(=O)C(C)(F)F)Cc1ccccc1C#N ZINC001418440375 973831794 /nfs/dbraw/zinc/83/17/94/973831794.db2.gz SZIBSJDLQQNOAU-UHFFFAOYSA-N 1 2 281.306 1.761 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCn2cccn2)C1 ZINC001376026144 974537675 /nfs/dbraw/zinc/53/76/75/974537675.db2.gz BAANDAMAQHCVBL-ZDUSSCGKSA-N 1 2 296.802 1.606 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCn2cccn2)C1 ZINC001376026144 974537677 /nfs/dbraw/zinc/53/76/77/974537677.db2.gz BAANDAMAQHCVBL-ZDUSSCGKSA-N 1 2 296.802 1.606 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cc(OC)no1 ZINC001505905745 975034416 /nfs/dbraw/zinc/03/44/16/975034416.db2.gz WAXJQYVEQMGKDI-SECBINFHSA-N 1 2 287.747 1.486 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cc(OC)no1 ZINC001505905745 975034424 /nfs/dbraw/zinc/03/44/24/975034424.db2.gz WAXJQYVEQMGKDI-SECBINFHSA-N 1 2 287.747 1.486 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)C1CC[NH+](Cc2ncccn2)CC1 ZINC001402036942 976094126 /nfs/dbraw/zinc/09/41/26/976094126.db2.gz HTDBASLWUAFVID-GFCCVEGCSA-N 1 2 287.367 1.059 20 30 CDEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)C1CC1 ZINC001392256911 977285647 /nfs/dbraw/zinc/28/56/47/977285647.db2.gz UPWHGJMHHINPEA-UHFFFAOYSA-N 1 2 271.364 1.858 20 30 CDEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)C1CC1 ZINC001392256911 977285650 /nfs/dbraw/zinc/28/56/50/977285650.db2.gz UPWHGJMHHINPEA-UHFFFAOYSA-N 1 2 271.364 1.858 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001132653616 1163416644 /nfs/dbraw/zinc/41/66/44/1163416644.db2.gz PTFWEPRBUREQCC-LLVKDONJSA-N 1 2 280.372 1.440 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001132653429 1163416360 /nfs/dbraw/zinc/41/63/60/1163416360.db2.gz LMVRBENHTUITPR-WDEREUQCSA-N 1 2 282.413 1.907 20 30 CDEDLO N#Cc1cc(NC(=O)[C@H]2COCC[NH2+]2)ccc1C1CC1 ZINC001574245360 1170928025 /nfs/dbraw/zinc/92/80/25/1170928025.db2.gz NPZFAMQVRUCNQM-CQSZACIVSA-N 1 2 271.320 1.363 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cn[nH]n2)C1 ZINC001575048301 1171095926 /nfs/dbraw/zinc/09/59/26/1171095926.db2.gz BWDCLSFPKVTHFR-CHWSQXEVSA-N 1 2 291.399 1.678 20 30 CDEDLO N#Cc1ccncc1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000588154705 342493101 /nfs/dbraw/zinc/49/31/01/342493101.db2.gz DWYFOBJIVQITKJ-UHFFFAOYSA-N 1 2 292.342 1.699 20 30 CDEDLO N#Cc1cc(O)cc(C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000589169964 342498906 /nfs/dbraw/zinc/49/89/06/342498906.db2.gz ZKDJAPSPSNYQBB-UHFFFAOYSA-N 1 2 284.319 1.671 20 30 CDEDLO N#Cc1cccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000589455353 342506269 /nfs/dbraw/zinc/50/62/69/342506269.db2.gz ONBCTUNYJGDOHP-CYBMUJFWSA-N 1 2 293.330 1.357 20 30 CDEDLO Cc1nc(N2CCN(CCC#N)CC2)c(C)c(C)[nH+]1 ZINC000601262459 342539913 /nfs/dbraw/zinc/53/99/13/342539913.db2.gz FCEXZTUMJPRONY-UHFFFAOYSA-N 1 2 259.357 1.438 20 30 CDEDLO CCn1cc(C[N@H+](C)Cc2cnc3c(C#N)cnn3c2)cn1 ZINC000564988727 365560491 /nfs/dbraw/zinc/56/04/91/365560491.db2.gz FGECCBVCSRIYLM-UHFFFAOYSA-N 1 2 295.350 1.449 20 30 CDEDLO CCn1cc(C[N@@H+](C)Cc2cnc3c(C#N)cnn3c2)cn1 ZINC000564988727 365560494 /nfs/dbraw/zinc/56/04/94/365560494.db2.gz FGECCBVCSRIYLM-UHFFFAOYSA-N 1 2 295.350 1.449 20 30 CDEDLO CCc1nnc(CO[NH+]=C(N)c2ccc(OC)cc2)o1 ZINC000136639250 398217957 /nfs/dbraw/zinc/21/79/57/398217957.db2.gz CDAMAIRZTRMAAY-UHFFFAOYSA-N 1 2 276.296 1.478 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@H](C)O1 ZINC000111276782 342579575 /nfs/dbraw/zinc/57/95/75/342579575.db2.gz ZVDJNIIRZZYDHT-UONOGXRCSA-N 1 2 292.383 1.142 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@H](C)O1 ZINC000111276782 342579576 /nfs/dbraw/zinc/57/95/76/342579576.db2.gz ZVDJNIIRZZYDHT-UONOGXRCSA-N 1 2 292.383 1.142 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000351600339 361792018 /nfs/dbraw/zinc/79/20/18/361792018.db2.gz DHZLQGVYSZTBMJ-ZDUSSCGKSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000351600339 361792023 /nfs/dbraw/zinc/79/20/23/361792023.db2.gz DHZLQGVYSZTBMJ-ZDUSSCGKSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCC)CC(=O)NCCC ZINC000052246712 342057427 /nfs/dbraw/zinc/05/74/27/342057427.db2.gz KPKGFXIBQSMTDR-UHFFFAOYSA-N 1 2 297.443 1.649 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCC)CC(=O)NCCC ZINC000052246712 342057428 /nfs/dbraw/zinc/05/74/28/342057428.db2.gz KPKGFXIBQSMTDR-UHFFFAOYSA-N 1 2 297.443 1.649 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)CCCCCC#N ZINC000588345775 342089917 /nfs/dbraw/zinc/08/99/17/342089917.db2.gz DWASJXWNTDGGDB-UHFFFAOYSA-N 1 2 281.400 1.687 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)CCCCCC#N ZINC000588345775 342089918 /nfs/dbraw/zinc/08/99/18/342089918.db2.gz DWASJXWNTDGGDB-UHFFFAOYSA-N 1 2 281.400 1.687 20 30 CDEDLO C[C@@H](CNC(=O)CCCCCC#N)[NH+]1CCN(C)CC1 ZINC000588371111 342111500 /nfs/dbraw/zinc/11/15/00/342111500.db2.gz FEVDMULLFIBBJI-AWEZNQCLSA-N 1 2 280.416 1.213 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc2ncccc2c1 ZINC000591241309 342622324 /nfs/dbraw/zinc/62/23/24/342622324.db2.gz DJMSJUROGRSFEY-CQSZACIVSA-N 1 2 285.347 1.820 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc2ncccc2c1 ZINC000591241309 342622325 /nfs/dbraw/zinc/62/23/25/342622325.db2.gz DJMSJUROGRSFEY-CQSZACIVSA-N 1 2 285.347 1.820 20 30 CDEDLO Cc1cc(N[C@H]2CCOC3(CCOCC3)C2)c(C#N)c[nH+]1 ZINC000591821485 342647569 /nfs/dbraw/zinc/64/75/69/342647569.db2.gz JBXCCYGSTQWKJO-AWEZNQCLSA-N 1 2 287.363 1.824 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000592193457 342674904 /nfs/dbraw/zinc/67/49/04/342674904.db2.gz AJBJWQDMUSDRDF-GXTWGEPZSA-N 1 2 292.310 1.053 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000592193457 342674905 /nfs/dbraw/zinc/67/49/05/342674905.db2.gz AJBJWQDMUSDRDF-GXTWGEPZSA-N 1 2 292.310 1.053 20 30 CDEDLO C[C@H](NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1cccs1 ZINC000592147648 342668191 /nfs/dbraw/zinc/66/81/91/342668191.db2.gz MZHULSZITYSAFH-FZMZJTMJSA-N 1 2 293.392 1.276 20 30 CDEDLO C[C@H](NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1cccs1 ZINC000592147648 342668192 /nfs/dbraw/zinc/66/81/92/342668192.db2.gz MZHULSZITYSAFH-FZMZJTMJSA-N 1 2 293.392 1.276 20 30 CDEDLO CCCc1nc(C[N@@H+]2CC[C@](O)(CC#N)C2)cs1 ZINC000592148633 342668410 /nfs/dbraw/zinc/66/84/10/342668410.db2.gz XZFLNTNZXKUGOR-CYBMUJFWSA-N 1 2 265.382 1.946 20 30 CDEDLO CCCc1nc(C[N@H+]2CC[C@](O)(CC#N)C2)cs1 ZINC000592148633 342668411 /nfs/dbraw/zinc/66/84/11/342668411.db2.gz XZFLNTNZXKUGOR-CYBMUJFWSA-N 1 2 265.382 1.946 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000592149978 342668523 /nfs/dbraw/zinc/66/85/23/342668523.db2.gz AQBCNXJGGYUEDH-OAHLLOKOSA-N 1 2 283.335 1.118 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000592149978 342668524 /nfs/dbraw/zinc/66/85/24/342668524.db2.gz AQBCNXJGGYUEDH-OAHLLOKOSA-N 1 2 283.335 1.118 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N(CC)CCC#N)[C@H](CC)CO1 ZINC000593059402 342760767 /nfs/dbraw/zinc/76/07/67/342760767.db2.gz QHULCJUSGJVVIU-ZIAGYGMSSA-N 1 2 281.400 1.638 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)CCC#N)[C@H](CC)CO1 ZINC000593059402 342760768 /nfs/dbraw/zinc/76/07/68/342760768.db2.gz QHULCJUSGJVVIU-ZIAGYGMSSA-N 1 2 281.400 1.638 20 30 CDEDLO Cc1oc(C(C)C)nc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593153334 342774102 /nfs/dbraw/zinc/77/41/02/342774102.db2.gz WVZJVCYWYCITDP-AWEZNQCLSA-N 1 2 278.356 1.680 20 30 CDEDLO Cc1ccccc1OCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593156206 342774420 /nfs/dbraw/zinc/77/44/20/342774420.db2.gz LSMYLIRMXYZZOH-OAHLLOKOSA-N 1 2 275.352 1.334 20 30 CDEDLO N#CCN1CC[NH+](Cc2cc3cnccc3o2)CC1 ZINC000593573999 342813745 /nfs/dbraw/zinc/81/37/45/342813745.db2.gz WRQJYFFLTUVIHZ-UHFFFAOYSA-N 1 2 256.309 1.469 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000341714711 361991205 /nfs/dbraw/zinc/99/12/05/361991205.db2.gz JSDDFGKZMSRTLO-HZPDHXFCSA-N 1 2 299.374 1.412 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000341714711 361991208 /nfs/dbraw/zinc/99/12/08/361991208.db2.gz JSDDFGKZMSRTLO-HZPDHXFCSA-N 1 2 299.374 1.412 20 30 CDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](O)C2)c(C#N)c1C ZINC000265269227 362002283 /nfs/dbraw/zinc/00/22/83/362002283.db2.gz WSISDWUSHBXONZ-ONGXEEELSA-N 1 2 277.324 1.162 20 30 CDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](O)C2)c(C#N)c1C ZINC000265269227 362002291 /nfs/dbraw/zinc/00/22/91/362002291.db2.gz WSISDWUSHBXONZ-ONGXEEELSA-N 1 2 277.324 1.162 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@](C)(C#N)C1 ZINC000594339132 342890853 /nfs/dbraw/zinc/89/08/53/342890853.db2.gz MGMXDJQWRUYYKL-SMDDNHRTSA-N 1 2 260.341 1.741 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@](C)(C#N)C1 ZINC000594339132 342890854 /nfs/dbraw/zinc/89/08/54/342890854.db2.gz MGMXDJQWRUYYKL-SMDDNHRTSA-N 1 2 260.341 1.741 20 30 CDEDLO Cc1c[nH+]c(CCNc2ccc(C#N)c(N)n2)c(C)c1 ZINC000594595558 342923428 /nfs/dbraw/zinc/92/34/28/342923428.db2.gz HPJRPDOGKNFVEF-UHFFFAOYSA-N 1 2 267.336 1.624 20 30 CDEDLO C=CCNc1ncc(C(=O)NCc2c[nH+]cn2C)s1 ZINC000291229319 539133162 /nfs/dbraw/zinc/13/31/62/539133162.db2.gz NNIOQSWOLMVROB-UHFFFAOYSA-N 1 2 277.353 1.405 20 30 CDEDLO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000330235984 300376517 /nfs/dbraw/zinc/37/65/17/300376517.db2.gz UDQVXQRMACJTEU-IRCOFANPSA-N 1 2 288.413 1.249 20 30 CDEDLO CNC(=O)[C@@]1(C)CC[N@@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000595474506 343063980 /nfs/dbraw/zinc/06/39/80/343063980.db2.gz LYFNVWFYORVOJY-ZFWWWQNUSA-N 1 2 257.337 1.709 20 30 CDEDLO CNC(=O)[C@@]1(C)CC[N@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000595474506 343063981 /nfs/dbraw/zinc/06/39/81/343063981.db2.gz LYFNVWFYORVOJY-ZFWWWQNUSA-N 1 2 257.337 1.709 20 30 CDEDLO CC(C)[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CC1 ZINC000290278965 365714252 /nfs/dbraw/zinc/71/42/52/365714252.db2.gz MBPOQIVXUOCEEJ-UHFFFAOYSA-N 1 2 293.392 1.600 20 30 CDEDLO CC(C)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CC1 ZINC000290278965 365714262 /nfs/dbraw/zinc/71/42/62/365714262.db2.gz MBPOQIVXUOCEEJ-UHFFFAOYSA-N 1 2 293.392 1.600 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCOCC1(C)C ZINC000064247726 342373003 /nfs/dbraw/zinc/37/30/03/342373003.db2.gz RLCZRSMNHGFKGN-UHFFFAOYSA-N 1 2 252.358 1.298 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCOCC1(C)C ZINC000064247726 342373004 /nfs/dbraw/zinc/37/30/04/342373004.db2.gz RLCZRSMNHGFKGN-UHFFFAOYSA-N 1 2 252.358 1.298 20 30 CDEDLO CCc1nc(C#N)cc(NCc2cn3c(cccc3C)[nH+]2)n1 ZINC000596122987 343248603 /nfs/dbraw/zinc/24/86/03/343248603.db2.gz WJNHYJPEXACNID-UHFFFAOYSA-N 1 2 292.346 1.901 20 30 CDEDLO COC(=O)c1cccc(C[NH+]2CCC(O)CC2)c1C#N ZINC000535221459 282246427 /nfs/dbraw/zinc/24/64/27/282246427.db2.gz UEGWFGMTAYRFDT-UHFFFAOYSA-N 1 2 274.320 1.302 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444712037 362199534 /nfs/dbraw/zinc/19/95/34/362199534.db2.gz XZIIDFYPUNOHFN-UHFFFAOYSA-N 1 2 254.280 1.699 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444712037 362199535 /nfs/dbraw/zinc/19/95/35/362199535.db2.gz XZIIDFYPUNOHFN-UHFFFAOYSA-N 1 2 254.280 1.699 20 30 CDEDLO CS(=O)(=O)Nc1cccc(C[NH+]2CC(CC#N)C2)c1 ZINC000597192957 343469460 /nfs/dbraw/zinc/46/94/60/343469460.db2.gz BISZUWZWICYAMU-UHFFFAOYSA-N 1 2 279.365 1.404 20 30 CDEDLO CCn1cc[nH+]c1CNc1nnc(C)c(C)c1C#N ZINC000295035791 199312703 /nfs/dbraw/zinc/31/27/03/199312703.db2.gz SGVYEVCXFHAQME-UHFFFAOYSA-N 1 2 256.313 1.794 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCc1ccc(C#N)cc1 ZINC000597889381 343658784 /nfs/dbraw/zinc/65/87/84/343658784.db2.gz FFBSNYVPAPRFOE-HUUCEWRRSA-N 1 2 294.358 1.754 20 30 CDEDLO C=CCCSCCNC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000597970291 343687543 /nfs/dbraw/zinc/68/75/43/343687543.db2.gz NCNDHDQPXPNCEN-ZDUSSCGKSA-N 1 2 296.440 1.448 20 30 CDEDLO C=CCCSCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000597971265 343687918 /nfs/dbraw/zinc/68/79/18/343687918.db2.gz BWXLBFUYOHPBPG-GFCCVEGCSA-N 1 2 279.409 1.871 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000598343056 343771561 /nfs/dbraw/zinc/77/15/61/343771561.db2.gz PXWXCNRHKFUJPO-MRXNPFEDSA-N 1 2 293.411 1.497 20 30 CDEDLO N#CCCCC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000598343205 343771928 /nfs/dbraw/zinc/77/19/28/343771928.db2.gz SFPKHFZWNTVYOL-UHFFFAOYSA-N 1 2 279.384 1.251 20 30 CDEDLO C[C@@H]1C[N@H+](CCN2CCC[C@@](C)(C#N)C2)CCO1 ZINC000619720362 349870287 /nfs/dbraw/zinc/87/02/87/349870287.db2.gz DSCSPJZPNOBAHM-KGLIPLIRSA-N 1 2 251.374 1.333 20 30 CDEDLO C[C@@H]1C[N@@H+](CCN2CCC[C@@](C)(C#N)C2)CCO1 ZINC000619720362 349870292 /nfs/dbraw/zinc/87/02/92/349870292.db2.gz DSCSPJZPNOBAHM-KGLIPLIRSA-N 1 2 251.374 1.333 20 30 CDEDLO C[C@@H]1CN(CC[N@@H+]2CCC[C@@](C)(C#N)C2)CCO1 ZINC000619720362 349870295 /nfs/dbraw/zinc/87/02/95/349870295.db2.gz DSCSPJZPNOBAHM-KGLIPLIRSA-N 1 2 251.374 1.333 20 30 CDEDLO C[C@@H]1CN(CC[N@H+]2CCC[C@@](C)(C#N)C2)CCO1 ZINC000619720362 349870298 /nfs/dbraw/zinc/87/02/98/349870298.db2.gz DSCSPJZPNOBAHM-KGLIPLIRSA-N 1 2 251.374 1.333 20 30 CDEDLO Cc1[nH]ncc1C[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600718086 349877096 /nfs/dbraw/zinc/87/70/96/349877096.db2.gz PMEXWQGHSNPFNO-CQSZACIVSA-N 1 2 286.335 1.119 20 30 CDEDLO C[C@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C[C@H]1CO ZINC000598651704 343858604 /nfs/dbraw/zinc/85/86/04/343858604.db2.gz UUMHWLWIZNKBIU-JQWIXIFHSA-N 1 2 293.392 1.509 20 30 CDEDLO C[C@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C[C@H]1CO ZINC000598651704 343858605 /nfs/dbraw/zinc/85/86/05/343858605.db2.gz UUMHWLWIZNKBIU-JQWIXIFHSA-N 1 2 293.392 1.509 20 30 CDEDLO N#Cc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000598951235 343933873 /nfs/dbraw/zinc/93/38/73/343933873.db2.gz ZLYSTDUZJQLFBG-CYBMUJFWSA-N 1 2 266.304 1.500 20 30 CDEDLO CC(C)(C(=O)N1CCC[C@@](C)(C#N)C1)[NH+]1CCOCC1 ZINC000619777136 349899010 /nfs/dbraw/zinc/89/90/10/349899010.db2.gz HEFLELZNOHFVTM-HNNXBMFYSA-N 1 2 279.384 1.249 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612108238 347023521 /nfs/dbraw/zinc/02/35/21/347023521.db2.gz UFBFRWARQJAANC-UKRRQHHQSA-N 1 2 294.399 1.042 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2CC2(C#N)CC2)O1 ZINC000619784994 349901844 /nfs/dbraw/zinc/90/18/44/349901844.db2.gz PNFYNWYPIIVJLS-LPWJVIDDSA-N 1 2 278.352 1.474 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2CC2(C#N)CC2)O1 ZINC000619784994 349901848 /nfs/dbraw/zinc/90/18/48/349901848.db2.gz PNFYNWYPIIVJLS-LPWJVIDDSA-N 1 2 278.352 1.474 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000599595041 344088881 /nfs/dbraw/zinc/08/88/81/344088881.db2.gz GEOCDPRFYDRYOA-GZBFAFLISA-N 1 2 279.384 1.294 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000599595041 344088885 /nfs/dbraw/zinc/08/88/85/344088885.db2.gz GEOCDPRFYDRYOA-GZBFAFLISA-N 1 2 279.384 1.294 20 30 CDEDLO N#CC1CN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000601600495 344206978 /nfs/dbraw/zinc/20/69/78/344206978.db2.gz DPOXGJQAQKRAAA-UHFFFAOYSA-N 1 2 266.304 1.397 20 30 CDEDLO Cc1cn2ccc(C(=O)N(C)C[C@H](C)C#N)cc2[nH+]1 ZINC000602084603 344329152 /nfs/dbraw/zinc/32/91/52/344329152.db2.gz UIRHXOHYKPOLDJ-SNVBAGLBSA-N 1 2 256.309 1.874 20 30 CDEDLO Cc1cc(C)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)s1 ZINC000602332051 344402214 /nfs/dbraw/zinc/40/22/14/344402214.db2.gz JONFYBARUXMVPH-ZDUSSCGKSA-N 1 2 265.382 1.939 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc2cccnc2c1 ZINC000602331912 344402226 /nfs/dbraw/zinc/40/22/26/344402226.db2.gz IFEUNRNQTBVNMX-INIZCTEOSA-N 1 2 282.347 1.808 20 30 CDEDLO COc1cccc(OC)c1C[NH+]1CCN(CC#N)CC1 ZINC000602453669 344436101 /nfs/dbraw/zinc/43/61/01/344436101.db2.gz IYFAWTCZTYFQNZ-UHFFFAOYSA-N 1 2 275.352 1.345 20 30 CDEDLO CCOC(=O)c1ccc(C[NH+]2CCN(CCC#N)CC2)[nH]1 ZINC000602751369 344580300 /nfs/dbraw/zinc/58/03/00/344580300.db2.gz IXKMFLYJEIIASU-UHFFFAOYSA-N 1 2 290.367 1.223 20 30 CDEDLO CCc1ccc(CNC(=O)C[NH2+][C@@H](C)CC#N)s1 ZINC000602861725 344617270 /nfs/dbraw/zinc/61/72/70/344617270.db2.gz HZJXTCPVDZYIJC-JTQLQIEISA-N 1 2 265.382 1.818 20 30 CDEDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)CC#N ZINC000602787031 344599877 /nfs/dbraw/zinc/59/98/77/344599877.db2.gz GEAGETGMMDUGRE-VIFPVBQESA-N 1 2 251.290 1.334 20 30 CDEDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H](C)CC#N ZINC000602787031 344599878 /nfs/dbraw/zinc/59/98/78/344599878.db2.gz GEAGETGMMDUGRE-VIFPVBQESA-N 1 2 251.290 1.334 20 30 CDEDLO N#CCC1(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000602790941 344601773 /nfs/dbraw/zinc/60/17/73/344601773.db2.gz AHFGVHBILXWGLK-LBPRGKRZSA-N 1 2 268.382 1.332 20 30 CDEDLO N#CCC1(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000602790941 344601775 /nfs/dbraw/zinc/60/17/75/344601775.db2.gz AHFGVHBILXWGLK-LBPRGKRZSA-N 1 2 268.382 1.332 20 30 CDEDLO COCCCNC(=O)C[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000161027500 362483907 /nfs/dbraw/zinc/48/39/07/362483907.db2.gz ABCRGTPXTXJIGZ-UHFFFAOYSA-N 1 2 293.342 1.282 20 30 CDEDLO COCCCNC(=O)C[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000161027500 362483911 /nfs/dbraw/zinc/48/39/11/362483911.db2.gz ABCRGTPXTXJIGZ-UHFFFAOYSA-N 1 2 293.342 1.282 20 30 CDEDLO C[C@]1(C#N)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000612163309 347065498 /nfs/dbraw/zinc/06/54/98/347065498.db2.gz RFKYLBRSWFLHKH-GFCCVEGCSA-N 1 2 263.301 1.417 20 30 CDEDLO C[C@]1(C#N)CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000612163309 347065500 /nfs/dbraw/zinc/06/55/00/347065500.db2.gz RFKYLBRSWFLHKH-GFCCVEGCSA-N 1 2 263.301 1.417 20 30 CDEDLO COc1ccncc1C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602848567 344625270 /nfs/dbraw/zinc/62/52/70/344625270.db2.gz GYNQIMSJAUOFPM-BETUJISGSA-N 1 2 274.368 1.508 20 30 CDEDLO COc1ccncc1C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602848567 344625272 /nfs/dbraw/zinc/62/52/72/344625272.db2.gz GYNQIMSJAUOFPM-BETUJISGSA-N 1 2 274.368 1.508 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000602865068 344638214 /nfs/dbraw/zinc/63/82/14/344638214.db2.gz VYIXXKIPTDBLMI-VIFPVBQESA-N 1 2 264.329 1.802 20 30 CDEDLO CC(C)Cc1nnc(NC(=O)C[NH2+][C@H](C)CC#N)s1 ZINC000602869765 344640630 /nfs/dbraw/zinc/64/06/30/344640630.db2.gz OOJSWHCVRONJJA-SECBINFHSA-N 1 2 281.385 1.567 20 30 CDEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000612161941 347064757 /nfs/dbraw/zinc/06/47/57/347064757.db2.gz CVZSKXSKIOAGIS-HNNXBMFYSA-N 1 2 257.337 1.911 20 30 CDEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000612161941 347064759 /nfs/dbraw/zinc/06/47/59/347064759.db2.gz CVZSKXSKIOAGIS-HNNXBMFYSA-N 1 2 257.337 1.911 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@@H](CCC)C(=O)OCC)nn1 ZINC000603200227 344732939 /nfs/dbraw/zinc/73/29/39/344732939.db2.gz KXBPKPRGYWLRBZ-ZDUSSCGKSA-N 1 2 278.356 1.295 20 30 CDEDLO N#CCCN1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000603018550 344691658 /nfs/dbraw/zinc/69/16/58/344691658.db2.gz WAOQQZUQKFBWBC-UHFFFAOYSA-N 1 2 267.764 1.068 20 30 CDEDLO N#CCC1(Cn2cc[nH+]c2CN2CCOCC2)CC1 ZINC000603421653 344800381 /nfs/dbraw/zinc/80/03/81/344800381.db2.gz XSXPTYPNNFYUIJ-UHFFFAOYSA-N 1 2 260.341 1.409 20 30 CDEDLO C=C(Br)C[N@H+]1CCCN(C(C)=O)CC1 ZINC000052439858 345243407 /nfs/dbraw/zinc/24/34/07/345243407.db2.gz RDVWEUSRBCHOAX-UHFFFAOYSA-N 1 2 261.163 1.449 20 30 CDEDLO C=C(Br)C[N@@H+]1CCCN(C(C)=O)CC1 ZINC000052439858 345243409 /nfs/dbraw/zinc/24/34/09/345243409.db2.gz RDVWEUSRBCHOAX-UHFFFAOYSA-N 1 2 261.163 1.449 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)N[C@H](C)CC#N)cc2n1C ZINC000335757202 345741622 /nfs/dbraw/zinc/74/16/22/345741622.db2.gz KTHMYCYJNZUMGM-SECBINFHSA-N 1 2 256.309 1.914 20 30 CDEDLO N#CC1(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CCC1 ZINC000609875948 346030010 /nfs/dbraw/zinc/03/00/10/346030010.db2.gz KJFZTPPPPNVKOU-LBPRGKRZSA-N 1 2 258.325 1.740 20 30 CDEDLO C[C@H](C#N)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000610257868 346232604 /nfs/dbraw/zinc/23/26/04/346232604.db2.gz DDJCMMNEQVXHLJ-OCCSQVGLSA-N 1 2 272.352 1.322 20 30 CDEDLO C[C@H](C#N)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000610257868 346232607 /nfs/dbraw/zinc/23/26/07/346232607.db2.gz DDJCMMNEQVXHLJ-OCCSQVGLSA-N 1 2 272.352 1.322 20 30 CDEDLO COCC[N@H+](CCC#N)CCc1nc2ccccc2n1C ZINC000610392191 346269675 /nfs/dbraw/zinc/26/96/75/346269675.db2.gz QJDCSPPNWMXLEV-UHFFFAOYSA-N 1 2 286.379 1.978 20 30 CDEDLO COCC[N@@H+](CCC#N)CCc1nc2ccccc2n1C ZINC000610392191 346269679 /nfs/dbraw/zinc/26/96/79/346269679.db2.gz QJDCSPPNWMXLEV-UHFFFAOYSA-N 1 2 286.379 1.978 20 30 CDEDLO CCCC[C@H](C(=O)OC)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000610391046 346270155 /nfs/dbraw/zinc/27/01/55/346270155.db2.gz MLCSFMUPWXVJRK-CABCVRRESA-N 1 2 295.427 1.884 20 30 CDEDLO COc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1OC ZINC000584755684 346424422 /nfs/dbraw/zinc/42/44/22/346424422.db2.gz QLOCDMCADMLAOL-HNNXBMFYSA-N 1 2 291.351 1.277 20 30 CDEDLO C=CCOc1ccc(C[N@@H+]2CC(=O)N[C@H](C)C2)cc1 ZINC000449521915 362743879 /nfs/dbraw/zinc/74/38/79/362743879.db2.gz ICPHKCFFMMVOPX-GFCCVEGCSA-N 1 2 260.337 1.572 20 30 CDEDLO C=CCOc1ccc(C[N@H+]2CC(=O)N[C@H](C)C2)cc1 ZINC000449521915 362743883 /nfs/dbraw/zinc/74/38/83/362743883.db2.gz ICPHKCFFMMVOPX-GFCCVEGCSA-N 1 2 260.337 1.572 20 30 CDEDLO CCOC[C@H](C(=O)OC)[N@H+](C)Cc1cccc(C#N)c1 ZINC000610998762 346571035 /nfs/dbraw/zinc/57/10/35/346571035.db2.gz UVLNBKUKKPMJRX-CQSZACIVSA-N 1 2 276.336 1.568 20 30 CDEDLO CCOC[C@H](C(=O)OC)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000610998762 346571040 /nfs/dbraw/zinc/57/10/40/346571040.db2.gz UVLNBKUKKPMJRX-CQSZACIVSA-N 1 2 276.336 1.568 20 30 CDEDLO N#Cc1ccc(NCc2ccccc2Cn2cc[nH+]c2)nn1 ZINC000611239317 346705277 /nfs/dbraw/zinc/70/52/77/346705277.db2.gz UGEKBJLPHZPABY-UHFFFAOYSA-N 1 2 290.330 1.627 20 30 CDEDLO CC(C)[C@H](C#N)N1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000611413148 346779794 /nfs/dbraw/zinc/77/97/94/346779794.db2.gz UQHILRWMNJXDBT-ZDUSSCGKSA-N 1 2 284.367 1.628 20 30 CDEDLO CC(C)[C@@H](C(=O)N=c1[nH][nH]cc1C#N)[NH+]1CCCCC1 ZINC000601638985 349984227 /nfs/dbraw/zinc/98/42/27/349984227.db2.gz FVMFFEZSFIGJRF-LBPRGKRZSA-N 1 2 275.356 1.152 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc2c1C(=O)CC2 ZINC000414121455 362926773 /nfs/dbraw/zinc/92/67/73/362926773.db2.gz GYRNYNFTYJJKCD-ZDUSSCGKSA-N 1 2 288.347 1.401 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc2c1C(=O)CC2 ZINC000414121455 362926781 /nfs/dbraw/zinc/92/67/81/362926781.db2.gz GYRNYNFTYJJKCD-ZDUSSCGKSA-N 1 2 288.347 1.401 20 30 CDEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000602870409 350157465 /nfs/dbraw/zinc/15/74/65/350157465.db2.gz PTYVFVQRKRMQJT-UHFFFAOYSA-N 1 2 298.350 1.007 20 30 CDEDLO CO[C@@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000602897778 350161367 /nfs/dbraw/zinc/16/13/67/350161367.db2.gz JRFZNZLVSYSRDS-HNNXBMFYSA-N 1 2 289.335 1.192 20 30 CDEDLO CO[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000602897778 350161369 /nfs/dbraw/zinc/16/13/69/350161369.db2.gz JRFZNZLVSYSRDS-HNNXBMFYSA-N 1 2 289.335 1.192 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCOc2ccccc2C1 ZINC000076849381 350606182 /nfs/dbraw/zinc/60/61/82/350606182.db2.gz NXCSLBPURLHQRU-CYBMUJFWSA-N 1 2 287.363 1.642 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCOc2ccccc2C1 ZINC000076849381 350606184 /nfs/dbraw/zinc/60/61/84/350606184.db2.gz NXCSLBPURLHQRU-CYBMUJFWSA-N 1 2 287.363 1.642 20 30 CDEDLO CCOCC[NH+]1CCN(C(=O)c2sccc2C#N)CC1 ZINC000110922645 186333041 /nfs/dbraw/zinc/33/30/41/186333041.db2.gz XVCBPXPWMBEEBR-UHFFFAOYSA-N 1 2 293.392 1.414 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)nn1 ZINC000653769865 412559204 /nfs/dbraw/zinc/55/92/04/412559204.db2.gz OWPLIYSUSZAUBJ-AWEZNQCLSA-N 1 2 287.371 1.283 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](n3ccnn3)C2)nn1 ZINC000653769865 412559207 /nfs/dbraw/zinc/55/92/07/412559207.db2.gz OWPLIYSUSZAUBJ-AWEZNQCLSA-N 1 2 287.371 1.283 20 30 CDEDLO CCCC[N@H+](CC(N)=O)Cc1ccc(C#N)s1 ZINC000119702722 186845599 /nfs/dbraw/zinc/84/55/99/186845599.db2.gz ZVELPXFXQAYILI-UHFFFAOYSA-N 1 2 251.355 1.707 20 30 CDEDLO CCCC[N@@H+](CC(N)=O)Cc1ccc(C#N)s1 ZINC000119702722 186845600 /nfs/dbraw/zinc/84/56/00/186845600.db2.gz ZVELPXFXQAYILI-UHFFFAOYSA-N 1 2 251.355 1.707 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H]2CCCCNC2=O)c1 ZINC000153060053 188062397 /nfs/dbraw/zinc/06/23/97/188062397.db2.gz ZZFNOCZCPJXHPS-HNNXBMFYSA-N 1 2 299.374 1.207 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H]2CCCCNC2=O)c1 ZINC000153060053 188062398 /nfs/dbraw/zinc/06/23/98/188062398.db2.gz ZZFNOCZCPJXHPS-HNNXBMFYSA-N 1 2 299.374 1.207 20 30 CDEDLO C#CCSCCNC(=O)NCCCNc1cccc[nH+]1 ZINC000154362776 188138187 /nfs/dbraw/zinc/13/81/87/188138187.db2.gz JNEUOAPDBWLNKS-UHFFFAOYSA-N 1 2 292.408 1.549 20 30 CDEDLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(C#N)s1 ZINC000155120279 188184867 /nfs/dbraw/zinc/18/48/67/188184867.db2.gz ROXZCRDPOIGFSX-UHFFFAOYSA-N 1 2 265.382 1.920 20 30 CDEDLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(C#N)s1 ZINC000155120279 188184868 /nfs/dbraw/zinc/18/48/68/188184868.db2.gz ROXZCRDPOIGFSX-UHFFFAOYSA-N 1 2 265.382 1.920 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C)nnc2CC)CC1 ZINC000273741971 192286963 /nfs/dbraw/zinc/28/69/63/192286963.db2.gz VUORHUOIXZUCOA-UHFFFAOYSA-N 1 2 286.379 1.129 20 30 CDEDLO C[C@]1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCOC1 ZINC000328936535 538443237 /nfs/dbraw/zinc/44/32/37/538443237.db2.gz FYHHFMSXBOUUGB-BXUZGUMPSA-N 1 2 263.341 1.829 20 30 CDEDLO CN(CCC#N)C[C@H](O)C[NH2+]CC1CCC(F)(F)CC1 ZINC000570325212 363536665 /nfs/dbraw/zinc/53/66/65/363536665.db2.gz ABTTVYXWDGJEAG-CYBMUJFWSA-N 1 2 289.370 1.608 20 30 CDEDLO CC1(O)CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329631964 538601331 /nfs/dbraw/zinc/60/13/31/538601331.db2.gz RPZUTOHQQKJCQX-SNVBAGLBSA-N 1 2 278.356 1.028 20 30 CDEDLO CC1(O)CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329631964 538601336 /nfs/dbraw/zinc/60/13/36/538601336.db2.gz RPZUTOHQQKJCQX-SNVBAGLBSA-N 1 2 278.356 1.028 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000299187005 356980913 /nfs/dbraw/zinc/98/09/13/356980913.db2.gz CIKNLABHCAQTJJ-CYBMUJFWSA-N 1 2 272.352 1.359 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000299348074 357034690 /nfs/dbraw/zinc/03/46/90/357034690.db2.gz QTYFUSHZIACCHR-HOCLYGCPSA-N 1 2 296.370 1.583 20 30 CDEDLO C[C@@H]1C[C@@H](C(=O)NCC2([NH+]3CCOCC3)CC2)CO1 ZINC000329923750 538800327 /nfs/dbraw/zinc/80/03/27/538800327.db2.gz UOKPDALKKRDNTR-VXGBXAGGSA-N 1 2 268.357 1.233 20 30 CDEDLO N#CCC[N@H+](CC1CC1)C[C@H]1CCCS(=O)(=O)C1 ZINC000556497011 357131038 /nfs/dbraw/zinc/13/10/38/357131038.db2.gz BAXOCDZRULGNAV-CYBMUJFWSA-N 1 2 270.398 1.437 20 30 CDEDLO N#CCC[N@@H+](CC1CC1)C[C@H]1CCCS(=O)(=O)C1 ZINC000556497011 357131041 /nfs/dbraw/zinc/13/10/41/357131041.db2.gz BAXOCDZRULGNAV-CYBMUJFWSA-N 1 2 270.398 1.437 20 30 CDEDLO CCc1nnc(N2CCn3c[nH+]cc3C2)c(C#N)c1CC ZINC000290722090 357412080 /nfs/dbraw/zinc/41/20/80/357412080.db2.gz PPBAXJHUXZETLI-UHFFFAOYSA-N 1 2 282.351 1.690 20 30 CDEDLO C#C[C@@H](CC)NC(=O)NCc1[nH+]ccn1CC(C)C ZINC000491816378 357642804 /nfs/dbraw/zinc/64/28/04/357642804.db2.gz WIPXACHAHVFZDZ-LBPRGKRZSA-N 1 2 262.357 1.750 20 30 CDEDLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602595516 357657791 /nfs/dbraw/zinc/65/77/91/357657791.db2.gz BWYXLDNXWLQOCU-CQSZACIVSA-N 1 2 273.336 1.871 20 30 CDEDLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602595516 357657794 /nfs/dbraw/zinc/65/77/94/357657794.db2.gz BWYXLDNXWLQOCU-CQSZACIVSA-N 1 2 273.336 1.871 20 30 CDEDLO COc1ccc(C[N@@H+]2CCC[C@@]23CCOC3=O)cc1C#N ZINC000186688769 357675929 /nfs/dbraw/zinc/67/59/29/357675929.db2.gz ILWDUXWDVNVONB-INIZCTEOSA-N 1 2 286.331 1.848 20 30 CDEDLO COc1ccc(C[N@H+]2CCC[C@@]23CCOC3=O)cc1C#N ZINC000186688769 357675935 /nfs/dbraw/zinc/67/59/35/357675935.db2.gz ILWDUXWDVNVONB-INIZCTEOSA-N 1 2 286.331 1.848 20 30 CDEDLO CC(=O)N[C@H]1CC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000335423744 357914575 /nfs/dbraw/zinc/91/45/75/357914575.db2.gz TVRNZWHRQCBNCA-AWEZNQCLSA-N 1 2 282.347 1.521 20 30 CDEDLO CC(=O)N[C@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000335423744 357914576 /nfs/dbraw/zinc/91/45/76/357914576.db2.gz TVRNZWHRQCBNCA-AWEZNQCLSA-N 1 2 282.347 1.521 20 30 CDEDLO N#CCc1ccccc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000601470128 358276078 /nfs/dbraw/zinc/27/60/78/358276078.db2.gz ZIFNDIYKVFDTOY-ZDUSSCGKSA-N 1 2 280.331 1.694 20 30 CDEDLO Cc1csc(NC(=O)NCc2[nH]cc[nH+]2)c1C#N ZINC000566790354 358424311 /nfs/dbraw/zinc/42/43/11/358424311.db2.gz OSVYILIISZUFKZ-UHFFFAOYSA-N 1 2 261.310 1.973 20 30 CDEDLO Cc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1F ZINC000565339731 358804564 /nfs/dbraw/zinc/80/45/64/358804564.db2.gz XEPRKNFEGZAGCZ-CQSZACIVSA-N 1 2 263.316 1.708 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000494869343 366513092 /nfs/dbraw/zinc/51/30/92/366513092.db2.gz CTSJVESQHAXOPO-HUUCEWRRSA-N 1 2 294.443 1.372 20 30 CDEDLO C=C(Cl)C[N@@H+](CCO)CCNC(=O)OC(C)(C)C ZINC000495414333 366523994 /nfs/dbraw/zinc/52/39/94/366523994.db2.gz XLROQUJJSJNLQZ-UHFFFAOYSA-N 1 2 278.780 1.558 20 30 CDEDLO C=C(Cl)C[N@H+](CCO)CCNC(=O)OC(C)(C)C ZINC000495414333 366523999 /nfs/dbraw/zinc/52/39/99/366523999.db2.gz XLROQUJJSJNLQZ-UHFFFAOYSA-N 1 2 278.780 1.558 20 30 CDEDLO C[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccoc1 ZINC000345106159 359165886 /nfs/dbraw/zinc/16/58/86/359165886.db2.gz IBAODKWRZGJHDC-UHFFFAOYSA-N 1 2 283.331 1.899 20 30 CDEDLO C[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccoc1 ZINC000345106159 359165887 /nfs/dbraw/zinc/16/58/87/359165887.db2.gz IBAODKWRZGJHDC-UHFFFAOYSA-N 1 2 283.331 1.899 20 30 CDEDLO C=C1CC[NH+](CCNS(=O)(=O)c2ccccc2)CC1 ZINC000264444239 359309975 /nfs/dbraw/zinc/30/99/75/359309975.db2.gz GMGAKOCBRGBLPU-UHFFFAOYSA-N 1 2 280.393 1.617 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)CSc1ccc(C#N)cc1 ZINC000355273370 359371831 /nfs/dbraw/zinc/37/18/31/359371831.db2.gz WHHHRNBCVSIRCZ-UHFFFAOYSA-N 1 2 286.360 1.700 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2c(F)cccc2OC)CC1 ZINC000266848933 359344555 /nfs/dbraw/zinc/34/45/55/359344555.db2.gz QUQGARFHGFQSGF-UHFFFAOYSA-N 1 2 290.338 1.615 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000266968355 359345516 /nfs/dbraw/zinc/34/55/16/359345516.db2.gz YTWUSYOOFZSTEY-UHFFFAOYSA-N 1 2 275.308 1.513 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000266968355 359345518 /nfs/dbraw/zinc/34/55/18/359345518.db2.gz YTWUSYOOFZSTEY-UHFFFAOYSA-N 1 2 275.308 1.513 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1cc(C)ccc1OC ZINC000266902630 359345895 /nfs/dbraw/zinc/34/58/95/359345895.db2.gz GUGPZWYEBCKHTF-UHFFFAOYSA-N 1 2 260.337 1.897 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1cc(C)ccc1OC ZINC000266902630 359345898 /nfs/dbraw/zinc/34/58/98/359345898.db2.gz GUGPZWYEBCKHTF-UHFFFAOYSA-N 1 2 260.337 1.897 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(OCC)cc1 ZINC000267349317 359350664 /nfs/dbraw/zinc/35/06/64/359350664.db2.gz UMVYXJBNBHILBL-UHFFFAOYSA-N 1 2 260.337 1.979 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(OCC)cc1 ZINC000267349317 359350666 /nfs/dbraw/zinc/35/06/66/359350666.db2.gz UMVYXJBNBHILBL-UHFFFAOYSA-N 1 2 260.337 1.979 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2C[C@@H](O)C[C@@H]2C)c(C#N)c1C ZINC000340912127 363660116 /nfs/dbraw/zinc/66/01/16/363660116.db2.gz PTBRMIFDOUFMPR-KWQFWETISA-N 1 2 277.324 1.162 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2C)c(C#N)c1C ZINC000340912127 363660119 /nfs/dbraw/zinc/66/01/19/363660119.db2.gz PTBRMIFDOUFMPR-KWQFWETISA-N 1 2 277.324 1.162 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1nnc(CCCC)s1)C1CC1 ZINC000274122189 359490579 /nfs/dbraw/zinc/49/05/79/359490579.db2.gz GXQSOSZDUUTWNJ-UHFFFAOYSA-N 1 2 292.408 1.917 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1nnc(CCCC)s1)C1CC1 ZINC000274122189 359490582 /nfs/dbraw/zinc/49/05/82/359490582.db2.gz GXQSOSZDUUTWNJ-UHFFFAOYSA-N 1 2 292.408 1.917 20 30 CDEDLO CC#CC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000277362578 359562767 /nfs/dbraw/zinc/56/27/67/359562767.db2.gz FWYYNLJBTVIWDN-UHFFFAOYSA-N 1 2 271.364 1.396 20 30 CDEDLO CN(C)c1cc(C#N)cc(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000340192744 359590712 /nfs/dbraw/zinc/59/07/12/359590712.db2.gz QZKWFUDZSWVOHM-UHFFFAOYSA-N 1 2 269.308 1.277 20 30 CDEDLO C=CCOCCC[N@@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000348052749 359804229 /nfs/dbraw/zinc/80/42/29/359804229.db2.gz SNMJMBUMXQNTMV-LLVKDONJSA-N 1 2 269.345 1.802 20 30 CDEDLO C=CCOCCC[N@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000348052749 359804233 /nfs/dbraw/zinc/80/42/33/359804233.db2.gz SNMJMBUMXQNTMV-LLVKDONJSA-N 1 2 269.345 1.802 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000331463535 360009406 /nfs/dbraw/zinc/00/94/06/360009406.db2.gz LBHUPGMAZFDISR-DYEKYZERSA-N 1 2 279.384 1.246 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000331463535 360009411 /nfs/dbraw/zinc/00/94/11/360009411.db2.gz LBHUPGMAZFDISR-DYEKYZERSA-N 1 2 279.384 1.246 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc3ccccn23)C1=O ZINC000337203777 360025301 /nfs/dbraw/zinc/02/53/01/360025301.db2.gz GVVLBJRKWGSVDW-AWEZNQCLSA-N 1 2 284.363 1.553 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc3ccccn23)C1=O ZINC000337203777 360025302 /nfs/dbraw/zinc/02/53/02/360025302.db2.gz GVVLBJRKWGSVDW-AWEZNQCLSA-N 1 2 284.363 1.553 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+](CC=C)Cc1ccccc1F ZINC000298295944 200387374 /nfs/dbraw/zinc/38/73/74/200387374.db2.gz XVKBAVHEDYTEFS-CYBMUJFWSA-N 1 2 274.339 1.952 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](CC=C)Cc1ccccc1F ZINC000298295944 200387375 /nfs/dbraw/zinc/38/73/75/200387375.db2.gz XVKBAVHEDYTEFS-CYBMUJFWSA-N 1 2 274.339 1.952 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000583502641 360691390 /nfs/dbraw/zinc/69/13/90/360691390.db2.gz YRIOMUNLMBAAFC-SDDRHHMPSA-N 1 2 258.325 1.254 20 30 CDEDLO C[C@@H]1C[C@H](C)[C@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)O1 ZINC000328646702 360807202 /nfs/dbraw/zinc/80/72/02/360807202.db2.gz HBEHRGRGEBSBDL-IRCOFANPSA-N 1 2 256.346 1.087 20 30 CDEDLO C[C@@H]1C[C@H](C)[C@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)O1 ZINC000328646702 360807209 /nfs/dbraw/zinc/80/72/09/360807209.db2.gz HBEHRGRGEBSBDL-IRCOFANPSA-N 1 2 256.346 1.087 20 30 CDEDLO C=CCC[N@@H+](C)Cc1nnnn1C1CCOCC1 ZINC000433251887 361223271 /nfs/dbraw/zinc/22/32/71/361223271.db2.gz JRBJQOXDJUDICA-UHFFFAOYSA-N 1 2 251.334 1.033 20 30 CDEDLO C=CCC[N@H+](C)Cc1nnnn1C1CCOCC1 ZINC000433251887 361223282 /nfs/dbraw/zinc/22/32/82/361223282.db2.gz JRBJQOXDJUDICA-UHFFFAOYSA-N 1 2 251.334 1.033 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000565431166 361321063 /nfs/dbraw/zinc/32/10/63/361321063.db2.gz HIUVAKQBQCDNHO-QWRGUYRKSA-N 1 2 251.330 1.032 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000565431166 361321069 /nfs/dbraw/zinc/32/10/69/361321069.db2.gz HIUVAKQBQCDNHO-QWRGUYRKSA-N 1 2 251.330 1.032 20 30 CDEDLO CC(C)(C)OC(=O)N=c1[nH]cc(C=[NH+]n2cnnc2)s1 ZINC000496284851 366745071 /nfs/dbraw/zinc/74/50/71/366745071.db2.gz QGTOQVHMJXSWDV-UHFFFAOYSA-N 1 2 294.340 1.964 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000329393508 361499730 /nfs/dbraw/zinc/49/97/30/361499730.db2.gz SPFOGNWFRFXCRO-NSHDSACASA-N 1 2 288.355 1.567 20 30 CDEDLO CC1CC(C#N)(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000532407976 363949052 /nfs/dbraw/zinc/94/90/52/363949052.db2.gz QHDTWVZDEQKPFZ-UHFFFAOYSA-N 1 2 268.320 1.890 20 30 CDEDLO N#CCNC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000104351575 363955823 /nfs/dbraw/zinc/95/58/23/363955823.db2.gz DSEVQUNVPGTXQW-ZZXKWVIFSA-N 1 2 252.277 1.525 20 30 CDEDLO C#CCOCCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000302134072 364444980 /nfs/dbraw/zinc/44/49/80/364444980.db2.gz HLDMOQIDPNMCLS-UHFFFAOYSA-N 1 2 273.340 1.643 20 30 CDEDLO C=CCNC(=O)CNc1cc[nH+]c2c(OC)cccc12 ZINC000302517738 364511621 /nfs/dbraw/zinc/51/16/21/364511621.db2.gz HQQLWROYHJDXDC-UHFFFAOYSA-N 1 2 271.320 1.958 20 30 CDEDLO COc1cccc(/C=[NH+]/CCCN2CCOC2=O)c1O ZINC000170839449 365135801 /nfs/dbraw/zinc/13/58/01/365135801.db2.gz SYYUZLVAUBTOKL-XNTDXEJSSA-N 1 2 278.308 1.662 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000491371634 365132722 /nfs/dbraw/zinc/13/27/22/365132722.db2.gz FZZOZIJOGKXCHR-LLVKDONJSA-N 1 2 276.384 1.277 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000491371634 365132723 /nfs/dbraw/zinc/13/27/23/365132723.db2.gz FZZOZIJOGKXCHR-LLVKDONJSA-N 1 2 276.384 1.277 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)CCC(C)C)nn1 ZINC000641228378 365231932 /nfs/dbraw/zinc/23/19/32/365231932.db2.gz ISPZAJHFZJWOAI-AWEZNQCLSA-N 1 2 264.373 1.188 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)CCC(=O)NCC(=O)c1ccccc1 ZINC000358049120 367391474 /nfs/dbraw/zinc/39/14/74/367391474.db2.gz OAEVLVNORQKZBE-CYBMUJFWSA-N 1 2 287.363 1.610 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)CCC(=O)NCC(=O)c1ccccc1 ZINC000358049120 367391480 /nfs/dbraw/zinc/39/14/80/367391480.db2.gz OAEVLVNORQKZBE-CYBMUJFWSA-N 1 2 287.363 1.610 20 30 CDEDLO CC1CC(C#N)(C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000124135530 368208123 /nfs/dbraw/zinc/20/81/23/368208123.db2.gz AZNDGOYBAAPDJP-UHFFFAOYSA-N 1 2 284.363 1.670 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000330817962 284121327 /nfs/dbraw/zinc/12/13/27/284121327.db2.gz LXOYTRGSXYVJSY-FZMZJTMJSA-N 1 2 274.320 1.493 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000330817962 284121330 /nfs/dbraw/zinc/12/13/30/284121330.db2.gz LXOYTRGSXYVJSY-FZMZJTMJSA-N 1 2 274.320 1.493 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000089153932 370129604 /nfs/dbraw/zinc/12/96/04/370129604.db2.gz NLWZKFKYRMHTOV-JKSUJKDBSA-N 1 2 272.348 1.938 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000089153932 370129611 /nfs/dbraw/zinc/12/96/11/370129611.db2.gz NLWZKFKYRMHTOV-JKSUJKDBSA-N 1 2 272.348 1.938 20 30 CDEDLO C=CCCCC[N@H+]1CC[S@@](=O)C[C@@H]1c1cnn(C)c1 ZINC000556235240 370241374 /nfs/dbraw/zinc/24/13/74/370241374.db2.gz ZNNUAWYHPMJSCF-AUUYWEPGSA-N 1 2 281.425 1.882 20 30 CDEDLO C=CCCCC[N@@H+]1CC[S@@](=O)C[C@@H]1c1cnn(C)c1 ZINC000556235240 370241380 /nfs/dbraw/zinc/24/13/80/370241380.db2.gz ZNNUAWYHPMJSCF-AUUYWEPGSA-N 1 2 281.425 1.882 20 30 CDEDLO CC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)COC1 ZINC000272817812 370193574 /nfs/dbraw/zinc/19/35/74/370193574.db2.gz KMUVYBKZWPWAAH-UHFFFAOYSA-N 1 2 299.374 1.239 20 30 CDEDLO N#CCC1(CNc2[nH+]cnc(-n3cccn3)c2N)CC1 ZINC000565868548 370552515 /nfs/dbraw/zinc/55/25/15/370552515.db2.gz HCKUOLSKDQLTQH-UHFFFAOYSA-N 1 2 269.312 1.350 20 30 CDEDLO Cc1cscc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000567475247 371003666 /nfs/dbraw/zinc/00/36/66/371003666.db2.gz DASCXTNQZRTVQG-GFCCVEGCSA-N 1 2 251.355 1.630 20 30 CDEDLO Cc1onc(CC(=O)N2CCC(n3cc[nH+]c3)CC2)c1C#N ZINC000331696053 204084845 /nfs/dbraw/zinc/08/48/45/204084845.db2.gz YYJOIBTUKHJCHE-UHFFFAOYSA-N 1 2 299.334 1.457 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000569212737 371243797 /nfs/dbraw/zinc/24/37/97/371243797.db2.gz KXYZECVPWQHREQ-ZNMIVQPWSA-N 1 2 296.411 1.195 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000569212737 371243801 /nfs/dbraw/zinc/24/38/01/371243801.db2.gz KXYZECVPWQHREQ-ZNMIVQPWSA-N 1 2 296.411 1.195 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCOC[C@H]1C1CCC1)C1CC1 ZINC000573841487 371677891 /nfs/dbraw/zinc/67/78/91/371677891.db2.gz VWFJUZCACBOOQD-HOCLYGCPSA-N 1 2 291.395 1.296 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCOC[C@H]1C1CCC1)C1CC1 ZINC000573841487 371677899 /nfs/dbraw/zinc/67/78/99/371677899.db2.gz VWFJUZCACBOOQD-HOCLYGCPSA-N 1 2 291.395 1.296 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc2[nH]ccc21 ZINC000574151549 371698540 /nfs/dbraw/zinc/69/85/40/371698540.db2.gz UKOFGXDEJOJEMI-GFCCVEGCSA-N 1 2 272.352 1.786 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc2[nH]ccc21 ZINC000574151549 371698547 /nfs/dbraw/zinc/69/85/47/371698547.db2.gz UKOFGXDEJOJEMI-GFCCVEGCSA-N 1 2 272.352 1.786 20 30 CDEDLO C[C@@H](C#N)CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000182409504 372599878 /nfs/dbraw/zinc/59/98/78/372599878.db2.gz KYUSIBPFTGWBDB-LBPRGKRZSA-N 1 2 287.367 1.641 20 30 CDEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1nnc2ccccn21 ZINC000193319411 372694613 /nfs/dbraw/zinc/69/46/13/372694613.db2.gz AIXINRAYVKBIKA-CYBMUJFWSA-N 1 2 299.378 1.581 20 30 CDEDLO Cc1cc(N2CC[C@H](C(=O)N3CCCC3)C2)c(C#N)c[nH+]1 ZINC000333392712 205282292 /nfs/dbraw/zinc/28/22/92/205282292.db2.gz DFNKZEXPILSYAU-ZDUSSCGKSA-N 1 2 284.363 1.710 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC(CC#N)CC1 ZINC000540992507 412813699 /nfs/dbraw/zinc/81/36/99/412813699.db2.gz GLTPVBXXUYSBON-CYBMUJFWSA-N 1 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/nfs/dbraw/zinc/94/63/48/373946348.db2.gz GYDQWLFUBNTDKG-LBPRGKRZSA-N 1 2 267.354 1.330 20 30 CDEDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000104063251 374174097 /nfs/dbraw/zinc/17/40/97/374174097.db2.gz ZTNICTKCFLNUGR-OAHLLOKOSA-N 1 2 287.363 1.393 20 30 CDEDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000104063251 374174106 /nfs/dbraw/zinc/17/41/06/374174106.db2.gz ZTNICTKCFLNUGR-OAHLLOKOSA-N 1 2 287.363 1.393 20 30 CDEDLO CCOCC[NH+]1CCN(c2ncc(C#N)cc2Cl)CC1 ZINC000114709517 374345639 /nfs/dbraw/zinc/34/56/39/374345639.db2.gz ZPWHLQOQAWJUSK-UHFFFAOYSA-N 1 2 294.786 1.765 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1COC[C@H]1O ZINC000352802594 374360457 /nfs/dbraw/zinc/36/04/57/374360457.db2.gz MBBRDVATHROEFI-CHWSQXEVSA-N 1 2 266.728 1.403 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1COC[C@H]1O ZINC000352802594 374360462 /nfs/dbraw/zinc/36/04/62/374360462.db2.gz MBBRDVATHROEFI-CHWSQXEVSA-N 1 2 266.728 1.403 20 30 CDEDLO CCC[C@](C)([NH2+]CCC(=O)N(C)CCC#N)C(=O)OC ZINC000342608140 374377487 /nfs/dbraw/zinc/37/74/87/374377487.db2.gz TZIQCWGIVUMSHD-AWEZNQCLSA-N 1 2 283.372 1.070 20 30 CDEDLO COCC[N@@H+]1CCN(C(=O)c2sccc2C#N)C[C@H]1C ZINC000117284275 374525339 /nfs/dbraw/zinc/52/53/39/374525339.db2.gz KIQXOHBOCUVICW-LLVKDONJSA-N 1 2 293.392 1.412 20 30 CDEDLO COCC[N@H+]1CCN(C(=O)c2sccc2C#N)C[C@H]1C ZINC000117284275 374525346 /nfs/dbraw/zinc/52/53/46/374525346.db2.gz KIQXOHBOCUVICW-LLVKDONJSA-N 1 2 293.392 1.412 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)s1 ZINC000378347869 374641779 /nfs/dbraw/zinc/64/17/79/374641779.db2.gz WSRIWHWTNUGWGI-SECBINFHSA-N 1 2 263.322 1.256 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)s1 ZINC000378347869 374641782 /nfs/dbraw/zinc/64/17/82/374641782.db2.gz WSRIWHWTNUGWGI-SECBINFHSA-N 1 2 263.322 1.256 20 30 CDEDLO CC[N@H+](Cc1n[nH]c(=O)[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000092617913 374700013 /nfs/dbraw/zinc/70/00/13/374700013.db2.gz SLLGDTSLPISDPQ-SNVBAGLBSA-N 1 2 271.324 1.553 20 30 CDEDLO CC[N@@H+](Cc1n[nH]c(=O)[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000092617913 374700020 /nfs/dbraw/zinc/70/00/20/374700020.db2.gz SLLGDTSLPISDPQ-SNVBAGLBSA-N 1 2 271.324 1.553 20 30 CDEDLO CC1(C)C[S@](=O)CC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000331019267 374882325 /nfs/dbraw/zinc/88/23/25/374882325.db2.gz QUWMPHPOMBQYTL-HXUWFJFHSA-N 1 2 292.404 1.780 20 30 CDEDLO CC1(C)C[S@](=O)CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000331019267 374882334 /nfs/dbraw/zinc/88/23/34/374882334.db2.gz QUWMPHPOMBQYTL-HXUWFJFHSA-N 1 2 292.404 1.780 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCOC(C)(C)C1 ZINC000030195735 375565811 /nfs/dbraw/zinc/56/58/11/375565811.db2.gz URYOQJLWYFOCAO-ZDUSSCGKSA-N 1 2 293.411 1.828 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCOC(C)(C)C1 ZINC000030195735 375565814 /nfs/dbraw/zinc/56/58/14/375565814.db2.gz URYOQJLWYFOCAO-ZDUSSCGKSA-N 1 2 293.411 1.828 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cccc(C#N)c1 ZINC000045959715 375791905 /nfs/dbraw/zinc/79/19/05/375791905.db2.gz BJCJREGWSNQCDC-GFCCVEGCSA-N 1 2 288.351 1.400 20 30 CDEDLO CCn1nncc1C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000328948581 376017850 /nfs/dbraw/zinc/01/78/50/376017850.db2.gz KPRVHBISZBQRCC-LLVKDONJSA-N 1 2 288.355 1.685 20 30 CDEDLO C=CCC[C@@H]1NC(=O)N([C@@H](C)c2[nH+]ccn2CC)C1=O ZINC000420026138 376239365 /nfs/dbraw/zinc/23/93/65/376239365.db2.gz ZSJLZYQWSNMPCM-QWRGUYRKSA-N 1 2 276.340 1.851 20 30 CDEDLO CCNC(=O)[C@@H](C)NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000331016942 376458795 /nfs/dbraw/zinc/45/87/95/376458795.db2.gz HNSZZOMGNFWFMC-SECBINFHSA-N 1 2 288.351 1.711 20 30 CDEDLO CC[C@@H]1C[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@@H](CC)O1 ZINC000420952220 376501514 /nfs/dbraw/zinc/50/15/14/376501514.db2.gz RVWZZLCCNANGPR-FMKPAKJESA-N 1 2 295.427 1.930 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2CC)CC1 ZINC000284053641 378133878 /nfs/dbraw/zinc/13/38/78/378133878.db2.gz QQWFLMKDNVCKGB-UHFFFAOYSA-N 1 2 275.400 1.252 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(Cc1ccccc1)C(C)C ZINC000192234996 378178158 /nfs/dbraw/zinc/17/81/58/378178158.db2.gz QJLKDTSXIAYLRF-UHFFFAOYSA-N 1 2 258.365 1.989 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N(Cc1ccccc1)C(C)C ZINC000192234996 378178161 /nfs/dbraw/zinc/17/81/61/378178161.db2.gz QJLKDTSXIAYLRF-UHFFFAOYSA-N 1 2 258.365 1.989 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1cccnc1Cl ZINC000192236371 378178855 /nfs/dbraw/zinc/17/88/55/378178855.db2.gz SCBFLKZYGARHFG-SECBINFHSA-N 1 2 251.717 1.627 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1cccnc1Cl ZINC000192236371 378178860 /nfs/dbraw/zinc/17/88/60/378178860.db2.gz SCBFLKZYGARHFG-SECBINFHSA-N 1 2 251.717 1.627 20 30 CDEDLO C#CCNC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000192270963 378183313 /nfs/dbraw/zinc/18/33/13/378183313.db2.gz GVNDLFPXGNEISS-UHFFFAOYSA-N 1 2 262.357 1.500 20 30 CDEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000293322636 378557290 /nfs/dbraw/zinc/55/72/90/378557290.db2.gz XPQSAOMRXDGIFN-NSHDSACASA-N 1 2 275.308 1.877 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000293322636 378557299 /nfs/dbraw/zinc/55/72/99/378557299.db2.gz XPQSAOMRXDGIFN-NSHDSACASA-N 1 2 275.308 1.877 20 30 CDEDLO N#Cc1ccnc(C(=O)Nc2c[nH+]c3n2CCCC3)c1 ZINC000452330516 252023022 /nfs/dbraw/zinc/02/30/22/252023022.db2.gz GTBJAAURYKWAIJ-UHFFFAOYSA-N 1 2 267.292 1.738 20 30 CDEDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000280971221 195052471 /nfs/dbraw/zinc/05/24/71/195052471.db2.gz VMEKTFYBEULCKX-SNVBAGLBSA-N 1 2 262.309 1.560 20 30 CDEDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000280971221 195052473 /nfs/dbraw/zinc/05/24/73/195052473.db2.gz VMEKTFYBEULCKX-SNVBAGLBSA-N 1 2 262.309 1.560 20 30 CDEDLO C#CCCCC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000191906635 533008490 /nfs/dbraw/zinc/00/84/90/533008490.db2.gz IOLLDJKPKMNVLF-UHFFFAOYSA-N 1 2 271.364 1.529 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000192223226 533112078 /nfs/dbraw/zinc/11/20/78/533112078.db2.gz SZRGGIFKJVECCD-SNVBAGLBSA-N 1 2 261.281 1.487 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000192223226 533112082 /nfs/dbraw/zinc/11/20/82/533112082.db2.gz SZRGGIFKJVECCD-SNVBAGLBSA-N 1 2 261.281 1.487 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2C(F)F)C1=O ZINC000281347825 195206647 /nfs/dbraw/zinc/20/66/47/195206647.db2.gz MVJIXOXMPMSDOP-LLVKDONJSA-N 1 2 298.337 1.576 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cn(C)nc2C(F)F)C1=O ZINC000281347825 195206648 /nfs/dbraw/zinc/20/66/48/195206648.db2.gz MVJIXOXMPMSDOP-LLVKDONJSA-N 1 2 298.337 1.576 20 30 CDEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)CSCC#N ZINC000192251393 262200924 /nfs/dbraw/zinc/20/09/24/262200924.db2.gz VTDSNKCEKCVFOY-UHFFFAOYSA-N 1 2 294.424 1.941 20 30 CDEDLO CN(C(=O)CO[NH+]=C(N)Cc1ccc(Cl)cc1)C1CC1 ZINC000106067102 390531116 /nfs/dbraw/zinc/53/11/16/390531116.db2.gz YZZAUFQFJXEQHB-UHFFFAOYSA-N 1 2 295.770 1.792 20 30 CDEDLO N#Cc1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)cc1O ZINC000188673099 390654245 /nfs/dbraw/zinc/65/42/45/390654245.db2.gz OIBZECINBFZMDN-UHFFFAOYSA-N 1 2 292.298 1.842 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000371332897 390944363 /nfs/dbraw/zinc/94/43/63/390944363.db2.gz BPJNTSKGZXRKNU-CQSZACIVSA-N 1 2 286.331 1.335 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000371332897 390944364 /nfs/dbraw/zinc/94/43/64/390944364.db2.gz BPJNTSKGZXRKNU-CQSZACIVSA-N 1 2 286.331 1.335 20 30 CDEDLO NC(C[NH+]1CCN(c2ccccc2)CC1)=NOCC1CC1 ZINC000124075030 390913184 /nfs/dbraw/zinc/91/31/84/390913184.db2.gz PUNPCDWXYSCYLS-UHFFFAOYSA-N 1 2 288.395 1.507 20 30 CDEDLO N#CC1(c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)CCC1 ZINC000351032187 391029357 /nfs/dbraw/zinc/02/93/57/391029357.db2.gz PVTQNDYPKZURMH-VXGBXAGGSA-N 1 2 288.351 1.941 20 30 CDEDLO N#CC1(c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)CCC1 ZINC000351032187 391029362 /nfs/dbraw/zinc/02/93/62/391029362.db2.gz PVTQNDYPKZURMH-VXGBXAGGSA-N 1 2 288.351 1.941 20 30 CDEDLO CN(CC1(O)CCC1)C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000329536354 391006444 /nfs/dbraw/zinc/00/64/44/391006444.db2.gz UJZFVFPCZIMMNE-LBPRGKRZSA-N 1 2 292.383 1.521 20 30 CDEDLO CC(C)N1CC[C@H]([NH+]2CCC(F)(C#N)CC2)C1=O ZINC000352462031 391148373 /nfs/dbraw/zinc/14/83/73/391148373.db2.gz BDCPNAVUSGQMMQ-NSHDSACASA-N 1 2 253.321 1.323 20 30 CDEDLO C[C@H](C#N)N(C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000436727575 391218185 /nfs/dbraw/zinc/21/81/85/391218185.db2.gz ZZZJHRGEHLTQRW-HIFRSBDPSA-N 1 2 287.363 1.258 20 30 CDEDLO C[C@H](C#N)N(C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000436727575 391218187 /nfs/dbraw/zinc/21/81/87/391218187.db2.gz ZZZJHRGEHLTQRW-HIFRSBDPSA-N 1 2 287.363 1.258 20 30 CDEDLO CCOCCO[NH+]=C(N)c1ccc(OC)c(OC)c1 ZINC000181580028 391224548 /nfs/dbraw/zinc/22/45/48/391224548.db2.gz NRYIDNNGVDIUPO-UHFFFAOYSA-N 1 2 268.313 1.377 20 30 CDEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC000375863131 391201709 /nfs/dbraw/zinc/20/17/09/391201709.db2.gz VPVGUALJLIKNGA-ZDUSSCGKSA-N 1 2 294.399 1.137 20 30 CDEDLO Cn1c2ccccc2[nH+]c1CCN1CCOC[C@H]1C#N ZINC000268084139 391210473 /nfs/dbraw/zinc/21/04/73/391210473.db2.gz QIWMKQGAKWNVKU-GFCCVEGCSA-N 1 2 270.336 1.340 20 30 CDEDLO Cc1ccccc1OC[C@H](O)C[N@@H+](C)[C@H](C)CC#N ZINC000268318992 391214056 /nfs/dbraw/zinc/21/40/56/391214056.db2.gz SLCKIORNFRNOIX-ZIAGYGMSSA-N 1 2 262.353 1.969 20 30 CDEDLO Cc1ccccc1OC[C@H](O)C[N@H+](C)[C@H](C)CC#N ZINC000268318992 391214060 /nfs/dbraw/zinc/21/40/60/391214060.db2.gz SLCKIORNFRNOIX-ZIAGYGMSSA-N 1 2 262.353 1.969 20 30 CDEDLO CC[C@@H](CC#N)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000183790300 391269786 /nfs/dbraw/zinc/26/97/86/391269786.db2.gz BAQCGEKWHJTQTA-LBPRGKRZSA-N 1 2 269.308 1.689 20 30 CDEDLO N#CCCOCC[N@@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000339211909 391270078 /nfs/dbraw/zinc/27/00/78/391270078.db2.gz LSGWNBBFHFNORP-UHFFFAOYSA-N 1 2 297.362 1.556 20 30 CDEDLO N#CCCOCC[N@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000339211909 391270080 /nfs/dbraw/zinc/27/00/80/391270080.db2.gz LSGWNBBFHFNORP-UHFFFAOYSA-N 1 2 297.362 1.556 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccoc1 ZINC000345786640 391313199 /nfs/dbraw/zinc/31/31/99/391313199.db2.gz CLSFHGZHOINZOI-NSHDSACASA-N 1 2 261.325 1.662 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccoc1 ZINC000345786640 391313204 /nfs/dbraw/zinc/31/32/04/391313204.db2.gz CLSFHGZHOINZOI-NSHDSACASA-N 1 2 261.325 1.662 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000339754214 391348669 /nfs/dbraw/zinc/34/86/69/391348669.db2.gz NNFNSTWWNLIJAU-LBPRGKRZSA-N 1 2 290.363 1.986 20 30 CDEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000339754214 391348671 /nfs/dbraw/zinc/34/86/71/391348671.db2.gz NNFNSTWWNLIJAU-LBPRGKRZSA-N 1 2 290.363 1.986 20 30 CDEDLO CC#CC[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000339756060 391349257 /nfs/dbraw/zinc/34/92/57/391349257.db2.gz JUUABAXEUCRVGI-CQSZACIVSA-N 1 2 287.319 1.655 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000339756060 391349260 /nfs/dbraw/zinc/34/92/60/391349260.db2.gz JUUABAXEUCRVGI-CQSZACIVSA-N 1 2 287.319 1.655 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N(CCC#N)Cc1ccccn1 ZINC000346343647 391350174 /nfs/dbraw/zinc/35/01/74/391350174.db2.gz SPHWNFJRHIWQLI-UHFFFAOYSA-N 1 2 283.335 1.598 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000339765017 391354436 /nfs/dbraw/zinc/35/44/36/391354436.db2.gz XYAXWILTJWUZPP-UHFFFAOYSA-N 1 2 299.374 1.707 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000339765017 391354442 /nfs/dbraw/zinc/35/44/42/391354442.db2.gz XYAXWILTJWUZPP-UHFFFAOYSA-N 1 2 299.374 1.707 20 30 CDEDLO CN(CC(F)(F)F)C([O-])=[NH+]CCn1cc[nH+]c1 ZINC000330380582 391411818 /nfs/dbraw/zinc/41/18/18/391411818.db2.gz UTQODQIAOCXQEH-UHFFFAOYSA-N 1 2 250.224 1.291 20 30 CDEDLO O=C(CSCC[NH+]1CCOCC1)NC(=O)NC1CC1 ZINC000328920176 391393971 /nfs/dbraw/zinc/39/39/71/391393971.db2.gz SUVMHMRNQIWSOX-UHFFFAOYSA-N 1 2 287.385 1.085 20 30 CDEDLO C=CCCC1(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000355441677 391456191 /nfs/dbraw/zinc/45/61/91/391456191.db2.gz IVTSBARXOGNIQT-UHFFFAOYSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CCCC1(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000355441677 391456194 /nfs/dbraw/zinc/45/61/94/391456194.db2.gz IVTSBARXOGNIQT-UHFFFAOYSA-N 1 2 280.412 1.960 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccon1 ZINC000349242318 391538770 /nfs/dbraw/zinc/53/87/70/391538770.db2.gz OVEODSZMZGGESI-QWRGUYRKSA-N 1 2 264.329 1.333 20 30 CDEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(C(=O)c3ccco3)CC2)C1 ZINC000335881301 391609616 /nfs/dbraw/zinc/60/96/16/391609616.db2.gz RWTSZTWKBGSGOO-QWHCGFSZSA-N 1 2 273.336 1.730 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@H](C)C1CCOCC1)C(=O)OC ZINC000361109415 391683023 /nfs/dbraw/zinc/68/30/23/391683023.db2.gz DXYMBGVMJAFHCZ-DGCLKSJQSA-N 1 2 271.357 1.135 20 30 CDEDLO C=CCOC[C@@H]([NH2+]C[C@H]1CC=CCC1)C(=O)OC ZINC000361113249 391683866 /nfs/dbraw/zinc/68/38/66/391683866.db2.gz LGPRXZZFXJVBEI-QWHCGFSZSA-N 1 2 253.342 1.677 20 30 CDEDLO COCCc1noc(C[NH2+]C2(c3cccc(C#N)c3)CC2)n1 ZINC000341947180 130154419 /nfs/dbraw/zinc/15/44/19/130154419.db2.gz JEOLPUSKWLGUCW-UHFFFAOYSA-N 1 2 298.346 1.909 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(Cl)cn1 ZINC000520249266 391772484 /nfs/dbraw/zinc/77/24/84/391772484.db2.gz RYJKUCYGGRKSFM-SNVBAGLBSA-N 1 2 266.732 1.955 20 30 CDEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2cnc3c(c2)CCCC3)C1 ZINC000329290278 391783228 /nfs/dbraw/zinc/78/32/28/391783228.db2.gz AJVXSGXXQVUDTF-AWEZNQCLSA-N 1 2 275.352 1.879 20 30 CDEDLO C[N@H+]1CCO[C@H](C(=O)Nc2cnc3c(c2)CCCC3)C1 ZINC000329290278 391783230 /nfs/dbraw/zinc/78/32/30/391783230.db2.gz AJVXSGXXQVUDTF-AWEZNQCLSA-N 1 2 275.352 1.879 20 30 CDEDLO COCCO[C@@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000189741962 391795353 /nfs/dbraw/zinc/79/53/53/391795353.db2.gz DFJPXQQVCLPTMH-OAHLLOKOSA-N 1 2 278.327 1.935 20 30 CDEDLO COCCO[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000189741962 391795356 /nfs/dbraw/zinc/79/53/56/391795356.db2.gz DFJPXQQVCLPTMH-OAHLLOKOSA-N 1 2 278.327 1.935 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)N1CC[C@](F)(C#N)C1 ZINC000590098323 391832811 /nfs/dbraw/zinc/83/28/11/391832811.db2.gz GIBVKMNJNCXUEO-ZDUSSCGKSA-N 1 2 278.287 1.237 20 30 CDEDLO CC[C@@]1(O)CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000495208282 391906054 /nfs/dbraw/zinc/90/60/54/391906054.db2.gz ZTRWQLBOUUPZAG-CYBMUJFWSA-N 1 2 279.365 1.405 20 30 CDEDLO CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000495208282 391906058 /nfs/dbraw/zinc/90/60/58/391906058.db2.gz ZTRWQLBOUUPZAG-CYBMUJFWSA-N 1 2 279.365 1.405 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000496912178 391930042 /nfs/dbraw/zinc/93/00/42/391930042.db2.gz OBSRYPMVBPHJBL-CQSZACIVSA-N 1 2 288.351 1.616 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000496912178 391930050 /nfs/dbraw/zinc/93/00/50/391930050.db2.gz OBSRYPMVBPHJBL-CQSZACIVSA-N 1 2 288.351 1.616 20 30 CDEDLO C[C@H](Oc1cccc(F)c1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000555480854 392259496 /nfs/dbraw/zinc/25/94/96/392259496.db2.gz 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283.416 1.703 20 30 CDEDLO CCc1noc(C)c1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330394129 263926665 /nfs/dbraw/zinc/92/66/65/263926665.db2.gz IQWANSCDSSEBFU-UHFFFAOYSA-N 1 2 295.383 1.961 20 30 CDEDLO CCc1noc(C)c1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330394129 263926667 /nfs/dbraw/zinc/92/66/67/263926667.db2.gz IQWANSCDSSEBFU-UHFFFAOYSA-N 1 2 295.383 1.961 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000330736986 264038252 /nfs/dbraw/zinc/03/82/52/264038252.db2.gz MPZRUSVTZFVHAI-KGLIPLIRSA-N 1 2 281.400 1.351 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000330736986 264038253 /nfs/dbraw/zinc/03/82/53/264038253.db2.gz MPZRUSVTZFVHAI-KGLIPLIRSA-N 1 2 281.400 1.351 20 30 CDEDLO N#CCCCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000330892201 264077187 /nfs/dbraw/zinc/07/71/87/264077187.db2.gz KPCGBAWTPKLUHD-CYBMUJFWSA-N 1 2 265.357 1.003 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cc(C(=O)OC)co2)nn1 ZINC000425354717 264127279 /nfs/dbraw/zinc/12/72/79/264127279.db2.gz 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/nfs/dbraw/zinc/12/44/30/266124430.db2.gz YXMQSLYHJRFAEU-UMVBOHGHSA-N 1 2 278.400 1.911 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000356636054 266151450 /nfs/dbraw/zinc/15/14/50/266151450.db2.gz SZEQXQFDTYSGEZ-GFCCVEGCSA-N 1 2 287.363 1.796 20 30 CDEDLO COc1cc[nH+]cc1NC(=O)c1ccc(C#N)c(C)n1 ZINC000194738362 266905373 /nfs/dbraw/zinc/90/53/73/266905373.db2.gz YQGFQHHFXRILGM-UHFFFAOYSA-N 1 2 268.276 1.918 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1cnc(-c2cnn(C)c2)nc1 ZINC000370493592 267322608 /nfs/dbraw/zinc/32/26/08/267322608.db2.gz WMNPDMNGZYHLIL-ZDUSSCGKSA-N 1 2 270.340 1.659 20 30 CDEDLO COCC[N@H+](CCC(C)(C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000119599267 267346135 /nfs/dbraw/zinc/34/61/35/267346135.db2.gz KPFUAJNEJSVZMX-GFCCVEGCSA-N 1 2 288.413 1.062 20 30 CDEDLO COCC[N@@H+](CCC(C)(C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000119599267 267346136 /nfs/dbraw/zinc/34/61/36/267346136.db2.gz KPFUAJNEJSVZMX-GFCCVEGCSA-N 1 2 288.413 1.062 20 30 CDEDLO C=CCCS(=O)(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000371291460 267383216 /nfs/dbraw/zinc/38/32/16/267383216.db2.gz ZEXZLADZTSIARR-GFCCVEGCSA-N 1 2 283.397 1.564 20 30 CDEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(C#N)CC3)C2=O)cc1 ZINC000195312669 268124464 /nfs/dbraw/zinc/12/44/64/268124464.db2.gz XLLKRZPVULQRRZ-MRXNPFEDSA-N 1 2 294.358 1.899 20 30 CDEDLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)O1 ZINC000028710146 288249232 /nfs/dbraw/zinc/24/92/32/288249232.db2.gz RTFLLRLDIRHPTR-DVOMOZLQSA-N 1 2 299.374 1.773 20 30 CDEDLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)O1 ZINC000028710146 288249234 /nfs/dbraw/zinc/24/92/34/288249234.db2.gz RTFLLRLDIRHPTR-DVOMOZLQSA-N 1 2 299.374 1.773 20 30 CDEDLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000346835866 288333040 /nfs/dbraw/zinc/33/30/40/288333040.db2.gz MUFVITDEOXNNCW-NEPJUHHUSA-N 1 2 265.357 1.048 20 30 CDEDLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000346835866 288333042 /nfs/dbraw/zinc/33/30/42/288333042.db2.gz MUFVITDEOXNNCW-NEPJUHHUSA-N 1 2 265.357 1.048 20 30 CDEDLO Cn1ncc2c1nc[nH+]c2SCc1ccc(C#N)cn1 ZINC000562386205 293149479 /nfs/dbraw/zinc/14/94/79/293149479.db2.gz ICHGYYIBASZXGL-UHFFFAOYSA-N 1 2 282.332 1.922 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)C1(C2CC2)CCOCC1 ZINC000329735218 300343151 /nfs/dbraw/zinc/34/31/51/300343151.db2.gz KVJQLLGXSKBBKB-ZDUSSCGKSA-N 1 2 296.411 1.870 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)C1(C2CC2)CCOCC1 ZINC000329735218 300343155 /nfs/dbraw/zinc/34/31/55/300343155.db2.gz KVJQLLGXSKBBKB-ZDUSSCGKSA-N 1 2 296.411 1.870 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1CCC(F)(F)CC1 ZINC000574975338 327674453 /nfs/dbraw/zinc/67/44/53/327674453.db2.gz UKMIBQFXAJXEBL-LBPRGKRZSA-N 1 2 273.327 1.772 20 30 CDEDLO N#Cc1c2c(cnc1NCCNc1cccc[nH+]1)CCC2 ZINC000563806200 316373384 /nfs/dbraw/zinc/37/33/84/316373384.db2.gz XZPSMNSFNSBERR-UHFFFAOYSA-N 1 2 279.347 1.783 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@]2(C)CO)c(C#N)c1C ZINC000577327810 317306475 /nfs/dbraw/zinc/30/64/75/317306475.db2.gz ICJVHSMFZPRMSI-HNNXBMFYSA-N 1 2 291.351 1.553 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@]2(C)CO)c(C#N)c1C ZINC000577327810 317306479 /nfs/dbraw/zinc/30/64/79/317306479.db2.gz ICJVHSMFZPRMSI-HNNXBMFYSA-N 1 2 291.351 1.553 20 30 CDEDLO CC[N@H+](CCC#N)C[C@H](O)COc1cccc(C)c1 ZINC000267161956 328173739 /nfs/dbraw/zinc/17/37/39/328173739.db2.gz GDCNEKBLWAEHHP-AWEZNQCLSA-N 1 2 262.353 1.970 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1cccc(C)c1 ZINC000267161956 328173740 /nfs/dbraw/zinc/17/37/40/328173740.db2.gz GDCNEKBLWAEHHP-AWEZNQCLSA-N 1 2 262.353 1.970 20 30 CDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CC2CCC2)c1=O ZINC000579377438 324176033 /nfs/dbraw/zinc/17/60/33/324176033.db2.gz OTJSVTXVPPVBCP-UHFFFAOYSA-N 1 2 287.363 1.352 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000335142976 328570236 /nfs/dbraw/zinc/57/02/36/328570236.db2.gz RSHOXNIGKOXNQY-KGLIPLIRSA-N 1 2 280.412 1.910 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CCc2ccccc2O1 ZINC000583938363 326802424 /nfs/dbraw/zinc/80/24/24/326802424.db2.gz USXCCLRWPIBPOM-ZBFHGGJFSA-N 1 2 287.363 1.340 20 30 CDEDLO C[C@H]1CN(c2ccc(C[NH2+]CCC#N)cn2)CCO1 ZINC000564843788 327007170 /nfs/dbraw/zinc/00/71/70/327007170.db2.gz FULGCSPQSQQVJM-LBPRGKRZSA-N 1 2 260.341 1.310 20 30 CDEDLO COC(=O)c1cc(C[NH2+]C[C@@H](C#N)CCC#N)oc1C ZINC000565769848 327007583 /nfs/dbraw/zinc/00/75/83/327007583.db2.gz UWTKFEDUYXIGML-LLVKDONJSA-N 1 2 275.308 1.908 20 30 CDEDLO NC(CN1CCOCC1)=[NH+]OC/C=C/c1ccccc1 ZINC000111182256 327277709 /nfs/dbraw/zinc/27/77/09/327277709.db2.gz XMPGRSPCXMSANW-QPJJXVBHSA-N 1 2 275.352 1.321 20 30 CDEDLO C[C@H](Oc1ccccc1F)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000566306479 327297343 /nfs/dbraw/zinc/29/73/43/327297343.db2.gz QWIXQPFONCXBJN-NHYWBVRUSA-N 1 2 293.342 1.553 20 30 CDEDLO C=CCOc1ccc(CNC(=O)Cc2c[nH+]cn2C)cc1 ZINC000560995838 327356662 /nfs/dbraw/zinc/35/66/62/327356662.db2.gz NYFQNJCQXLKIQK-UHFFFAOYSA-N 1 2 285.347 1.844 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc2c1OCCO2 ZINC000562322896 327470344 /nfs/dbraw/zinc/47/03/44/327470344.db2.gz XCQVLDJGUDQXKJ-HNNXBMFYSA-N 1 2 289.335 1.031 20 30 CDEDLO CC[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000151903569 327522349 /nfs/dbraw/zinc/52/23/49/327522349.db2.gz NQDAXIXJOLHPKE-CMPLNLGQSA-N 1 2 255.387 1.232 20 30 CDEDLO C#Cc1ccc(C[NH+]2CC(n3cc([C@@H](C)O)nn3)C2)cc1 ZINC000377709761 329026458 /nfs/dbraw/zinc/02/64/58/329026458.db2.gz VDZZKQJTRJCWMZ-GFCCVEGCSA-N 1 2 282.347 1.370 20 30 CDEDLO C#CC[NH2+][C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177384183 329185882 /nfs/dbraw/zinc/18/58/82/329185882.db2.gz VOVFIGRKFMRHIS-LBPRGKRZSA-N 1 2 270.254 1.629 20 30 CDEDLO C#CCCCNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000178165666 329196933 /nfs/dbraw/zinc/19/69/33/329196933.db2.gz YLMGFICCKGYUIK-AWEZNQCLSA-N 1 2 288.395 1.798 20 30 CDEDLO CC1(C)CC[C@H](CN(CCC#N)CC[NH+]2CCOCC2)O1 ZINC000187112670 329353411 /nfs/dbraw/zinc/35/34/11/329353411.db2.gz XRCNHGCQEDUFJM-OAHLLOKOSA-N 1 2 295.427 1.492 20 30 CDEDLO C=CCn1cc(CN[C@@H](c2[nH+]ccn2C)C2CC2)nn1 ZINC000424300943 330337735 /nfs/dbraw/zinc/33/77/35/330337735.db2.gz YTNLGALISIMSGL-CYBMUJFWSA-N 1 2 272.356 1.439 20 30 CDEDLO C=CCn1cc(C[NH2+][C@@H](c2nccn2C)C2CC2)nn1 ZINC000424300943 330337736 /nfs/dbraw/zinc/33/77/36/330337736.db2.gz YTNLGALISIMSGL-CYBMUJFWSA-N 1 2 272.356 1.439 20 30 CDEDLO C=CCOCC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000434379266 330638533 /nfs/dbraw/zinc/63/85/33/330638533.db2.gz JCONYJQSJLIZQU-UHFFFAOYSA-N 1 2 299.374 1.945 20 30 CDEDLO N#CC1(C[N@H+](CCCO)Cc2ccccn2)CCC1 ZINC000450892088 331005232 /nfs/dbraw/zinc/00/52/32/331005232.db2.gz CLHZSKKCOBDTHD-UHFFFAOYSA-N 1 2 259.353 1.960 20 30 CDEDLO N#CC1(C[N@@H+](CCCO)Cc2ccccn2)CCC1 ZINC000450892088 331005233 /nfs/dbraw/zinc/00/52/33/331005233.db2.gz CLHZSKKCOBDTHD-UHFFFAOYSA-N 1 2 259.353 1.960 20 30 CDEDLO C=C(CC)CNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000454037362 331139066 /nfs/dbraw/zinc/13/90/66/331139066.db2.gz UHGNYPYNAITMHK-UHFFFAOYSA-N 1 2 261.325 1.719 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456207167 331186453 /nfs/dbraw/zinc/18/64/53/331186453.db2.gz SDDNIWKPONELHS-VNHYZAJKSA-N 1 2 266.385 1.568 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456207167 331186454 /nfs/dbraw/zinc/18/64/54/331186454.db2.gz SDDNIWKPONELHS-VNHYZAJKSA-N 1 2 266.385 1.568 20 30 CDEDLO C=CCC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCCCC1 ZINC000456374409 331191650 /nfs/dbraw/zinc/19/16/50/331191650.db2.gz WUQFEZRXFNJEJJ-CYBMUJFWSA-N 1 2 266.385 1.712 20 30 CDEDLO C=CCC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC000456374409 331191651 /nfs/dbraw/zinc/19/16/51/331191651.db2.gz WUQFEZRXFNJEJJ-CYBMUJFWSA-N 1 2 266.385 1.712 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000456785988 331204019 /nfs/dbraw/zinc/20/40/19/331204019.db2.gz ZXNOIZDHAIVJMV-GFCCVEGCSA-N 1 2 259.309 1.391 20 30 CDEDLO CN(C)c1ccc(CNC(=O)N(C)CC(C)(C)C#N)c[nH+]1 ZINC000457696889 331231454 /nfs/dbraw/zinc/23/14/54/331231454.db2.gz PUFITRKTFVKJRA-UHFFFAOYSA-N 1 2 289.383 1.839 20 30 CDEDLO C#C[C@@H](CC)NC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000490720446 332108939 /nfs/dbraw/zinc/10/89/39/332108939.db2.gz RPWQFXFKJCTXQG-QWHCGFSZSA-N 1 2 289.383 1.210 20 30 CDEDLO C#C[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000491381007 332201001 /nfs/dbraw/zinc/20/10/01/332201001.db2.gz CEJQDVLZEWJDDN-CQSZACIVSA-N 1 2 271.295 1.903 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](O)Cc1ccc(F)cc1 ZINC000491526506 332230872 /nfs/dbraw/zinc/23/08/72/332230872.db2.gz ZVEHAWXZQDHBDQ-GJZGRUSLSA-N 1 2 263.312 1.063 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](O)Cc1ccc(F)cc1 ZINC000491526506 332230873 /nfs/dbraw/zinc/23/08/73/332230873.db2.gz ZVEHAWXZQDHBDQ-GJZGRUSLSA-N 1 2 263.312 1.063 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)NC2(C1=O)[C@@H](C)CCC[C@@H]2C ZINC000491566848 332239146 /nfs/dbraw/zinc/23/91/46/332239146.db2.gz IEGMTZLVBFQBSG-AVGNSLFASA-N 1 2 291.395 1.644 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)NC2(C1=O)[C@@H](C)CCC[C@@H]2C ZINC000491566848 332239147 /nfs/dbraw/zinc/23/91/47/332239147.db2.gz IEGMTZLVBFQBSG-AVGNSLFASA-N 1 2 291.395 1.644 20 30 CDEDLO C#C[C@H](CC)NC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000491668703 332276250 /nfs/dbraw/zinc/27/62/50/332276250.db2.gz KCPKTMUPJDWJOS-GFCCVEGCSA-N 1 2 270.336 1.854 20 30 CDEDLO C#C[C@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)C(C)C ZINC000491675773 332281297 /nfs/dbraw/zinc/28/12/97/332281297.db2.gz XRUAYUGSYKXFTL-ZDUSSCGKSA-N 1 2 281.400 1.054 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cnc(COC)s1 ZINC000491731588 332312834 /nfs/dbraw/zinc/31/28/34/332312834.db2.gz KODNKNLAQCFXGF-NSHDSACASA-N 1 2 294.376 1.544 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cnc(COC)s1 ZINC000491731588 332312835 /nfs/dbraw/zinc/31/28/35/332312835.db2.gz KODNKNLAQCFXGF-NSHDSACASA-N 1 2 294.376 1.544 20 30 CDEDLO C#CC[N@@H+](CCCCC=C)[C@@H]1CCS(=O)(=O)C1 ZINC000491755207 332329859 /nfs/dbraw/zinc/32/98/59/332329859.db2.gz YXLXMQJIOMIAQS-CYBMUJFWSA-N 1 2 255.383 1.465 20 30 CDEDLO C#CC[N@H+](CCCCC=C)[C@@H]1CCS(=O)(=O)C1 ZINC000491755207 332329860 /nfs/dbraw/zinc/32/98/60/332329860.db2.gz YXLXMQJIOMIAQS-CYBMUJFWSA-N 1 2 255.383 1.465 20 30 CDEDLO C#C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCOCC1)C(C)(C)C ZINC000491770370 332337182 /nfs/dbraw/zinc/33/71/82/332337182.db2.gz PRNOMOJIQUOJFM-QWHCGFSZSA-N 1 2 281.400 1.054 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(OCCOC)cc1 ZINC000491773424 332339584 /nfs/dbraw/zinc/33/95/84/332339584.db2.gz RUYHKYWKEJDDKV-HNNXBMFYSA-N 1 2 275.348 1.546 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(OCCOC)cc1 ZINC000491773424 332339585 /nfs/dbraw/zinc/33/95/85/332339585.db2.gz RUYHKYWKEJDDKV-HNNXBMFYSA-N 1 2 275.348 1.546 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCC(=O)c1cccs1)C1CC1 ZINC000491802163 332356254 /nfs/dbraw/zinc/35/62/54/332356254.db2.gz FOKIJEWCROXTSV-UHFFFAOYSA-N 1 2 276.361 1.145 20 30 CDEDLO C#CC[N@H+](CC(=O)NCC(=O)c1cccs1)C1CC1 ZINC000491802163 332356256 /nfs/dbraw/zinc/35/62/56/332356256.db2.gz FOKIJEWCROXTSV-UHFFFAOYSA-N 1 2 276.361 1.145 20 30 CDEDLO Cc1ncc(/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C)s1 ZINC000493523665 332443660 /nfs/dbraw/zinc/44/36/60/332443660.db2.gz NDEHLLXTBKFDPE-CFHLNLSMSA-N 1 2 278.381 1.425 20 30 CDEDLO C[N@H+](CC#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174824260 333008413 /nfs/dbraw/zinc/00/84/13/333008413.db2.gz GKPUDMBYGJFAQG-UHFFFAOYSA-N 1 2 253.346 1.841 20 30 CDEDLO C[N@@H+](CC#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174824260 333008414 /nfs/dbraw/zinc/00/84/14/333008414.db2.gz GKPUDMBYGJFAQG-UHFFFAOYSA-N 1 2 253.346 1.841 20 30 CDEDLO C=CC[NH+]1CCC([NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000177907240 333065547 /nfs/dbraw/zinc/06/55/47/333065547.db2.gz YEFCDBLZKVVCDS-ZBFHGGJFSA-N 1 2 265.445 1.957 20 30 CDEDLO Cc1c(F)c(F)ccc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000517025791 333090283 /nfs/dbraw/zinc/09/02/83/333090283.db2.gz KWSLLRZUQFIQMM-LLVKDONJSA-N 1 2 283.322 1.892 20 30 CDEDLO Cc1c(F)c(F)ccc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000517025791 333090284 /nfs/dbraw/zinc/09/02/84/333090284.db2.gz KWSLLRZUQFIQMM-LLVKDONJSA-N 1 2 283.322 1.892 20 30 CDEDLO N#CCC1(CNc2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000521239984 333115983 /nfs/dbraw/zinc/11/59/83/333115983.db2.gz MJDXBSKDFPENHS-UHFFFAOYSA-N 1 2 273.340 1.419 20 30 CDEDLO N#CCC1(CNc2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000521239984 333115984 /nfs/dbraw/zinc/11/59/84/333115984.db2.gz MJDXBSKDFPENHS-UHFFFAOYSA-N 1 2 273.340 1.419 20 30 CDEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(CSCC#N)n2)C1 ZINC000227113847 333276563 /nfs/dbraw/zinc/27/65/63/333276563.db2.gz IEKJDTVZXYKFCM-JTQLQIEISA-N 1 2 282.369 1.608 20 30 CDEDLO CC(C)[N@H+]1CCO[C@H](c2noc(CSCC#N)n2)C1 ZINC000227113847 333276565 /nfs/dbraw/zinc/27/65/65/333276565.db2.gz IEKJDTVZXYKFCM-JTQLQIEISA-N 1 2 282.369 1.608 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000125922891 333582038 /nfs/dbraw/zinc/58/20/38/333582038.db2.gz GUSGHIGVWVIXOI-INIZCTEOSA-N 1 2 299.418 1.563 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN(CC)C(=O)[C@@H]1CC ZINC000548299764 334149636 /nfs/dbraw/zinc/14/96/36/334149636.db2.gz IPSGLAFJFURLOJ-AWEZNQCLSA-N 1 2 295.427 1.354 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN(CC)C(=O)[C@@H]1CC ZINC000548299764 334149638 /nfs/dbraw/zinc/14/96/38/334149638.db2.gz IPSGLAFJFURLOJ-AWEZNQCLSA-N 1 2 295.427 1.354 20 30 CDEDLO C[C@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H](CO)O1 ZINC000249381536 334332945 /nfs/dbraw/zinc/33/29/45/334332945.db2.gz QLDXENNBKNNZRT-WFASDCNBSA-N 1 2 263.312 1.259 20 30 CDEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H](CO)O1 ZINC000249381536 334332947 /nfs/dbraw/zinc/33/29/47/334332947.db2.gz QLDXENNBKNNZRT-WFASDCNBSA-N 1 2 263.312 1.259 20 30 CDEDLO O=C(NCC#Cc1ccccc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000564745074 334518911 /nfs/dbraw/zinc/51/89/11/334518911.db2.gz IHZOEEJBSBZEAY-OAHLLOKOSA-N 1 2 279.343 1.613 20 30 CDEDLO Cc1cccc(O[C@@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000567008883 334673008 /nfs/dbraw/zinc/67/30/08/334673008.db2.gz FIWXSNDUSICCSS-XJKSGUPXSA-N 1 2 289.379 1.722 20 30 CDEDLO C=C(C)COCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000576476603 335209491 /nfs/dbraw/zinc/20/94/91/335209491.db2.gz LOQPMYXRMKVFCV-UHFFFAOYSA-N 1 2 273.336 1.965 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)CNCC(F)(F)c1ccccc1 ZINC000580544464 335276935 /nfs/dbraw/zinc/27/69/35/335276935.db2.gz LKMQIMRPBSYPOL-CQSZACIVSA-N 1 2 297.349 1.574 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)CNCC(F)(F)c1ccccc1 ZINC000580544464 335276936 /nfs/dbraw/zinc/27/69/36/335276936.db2.gz LKMQIMRPBSYPOL-CQSZACIVSA-N 1 2 297.349 1.574 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1coc(-c2ccccc2)n1 ZINC000577255882 335330394 /nfs/dbraw/zinc/33/03/94/335330394.db2.gz SEFQFHZWWBRFSW-INIZCTEOSA-N 1 2 298.346 1.915 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1coc2ccccc12 ZINC000581073754 336004465 /nfs/dbraw/zinc/00/44/65/336004465.db2.gz IXUBIFLWGVVCNP-MRXNPFEDSA-N 1 2 285.347 1.935 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(-c2ccccc2)on1 ZINC000581491741 336089094 /nfs/dbraw/zinc/08/90/94/336089094.db2.gz GGPGSKRRKONKHS-MRXNPFEDSA-N 1 2 298.346 1.915 20 30 CDEDLO C=C(C)COCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000581616730 336113241 /nfs/dbraw/zinc/11/32/41/336113241.db2.gz WODKYEFLMNXJLD-LLVKDONJSA-N 1 2 251.330 1.297 20 30 CDEDLO C=C(C)COCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000581616730 336113242 /nfs/dbraw/zinc/11/32/42/336113242.db2.gz WODKYEFLMNXJLD-LLVKDONJSA-N 1 2 251.330 1.297 20 30 CDEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000582006637 336190169 /nfs/dbraw/zinc/19/01/69/336190169.db2.gz PSTPUJPVNVIIOJ-AWEZNQCLSA-N 1 2 290.323 1.477 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](F)CC ZINC001732588372 1160043160 /nfs/dbraw/zinc/04/31/60/1160043160.db2.gz KBPQWDITYLWSSL-SNVBAGLBSA-N 1 2 250.745 1.877 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](F)CC ZINC001732588372 1160043167 /nfs/dbraw/zinc/04/31/67/1160043167.db2.gz KBPQWDITYLWSSL-SNVBAGLBSA-N 1 2 250.745 1.877 20 30 CDEDLO C=C[C@](C)(O)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000669283417 482642618 /nfs/dbraw/zinc/64/26/18/482642618.db2.gz CTCVEJZFBXLOSK-KRWDZBQOSA-N 1 2 299.374 1.827 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(C)ccn2)C1=O ZINC000685004100 482696993 /nfs/dbraw/zinc/69/69/93/482696993.db2.gz CQWALYZHMIBJBX-CQSZACIVSA-N 1 2 259.353 1.609 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(C)ccn2)C1=O ZINC000685004100 482696998 /nfs/dbraw/zinc/69/69/98/482696998.db2.gz CQWALYZHMIBJBX-CQSZACIVSA-N 1 2 259.353 1.609 20 30 CDEDLO COCC#CC[NH2+][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000678897930 483215286 /nfs/dbraw/zinc/21/52/86/483215286.db2.gz XYKIBAHHIPVDEW-GFCCVEGCSA-N 1 2 263.341 1.884 20 30 CDEDLO CCc1noc([C@H](C)[NH2+]CCNC(=O)C#CC(C)C)n1 ZINC001126834688 1160736517 /nfs/dbraw/zinc/73/65/17/1160736517.db2.gz YBSDQWFQGWMYFJ-NSHDSACASA-N 1 2 278.356 1.058 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)CC[C@H]2CCOC2)C1 ZINC001753374422 1185175431 /nfs/dbraw/zinc/17/54/31/1185175431.db2.gz DOOHRODBZKJXQR-LBPRGKRZSA-N 1 2 252.358 1.180 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C(C)(C)C=C ZINC001754969999 1185773076 /nfs/dbraw/zinc/77/30/76/1185773076.db2.gz LJUFGSXCSRTAOH-CYBMUJFWSA-N 1 2 266.385 1.592 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C(C)(C)C=C ZINC001754969999 1185773079 /nfs/dbraw/zinc/77/30/79/1185773079.db2.gz LJUFGSXCSRTAOH-CYBMUJFWSA-N 1 2 266.385 1.592 20 30 CDEDLO COc1cccc([C@@H](NC(=O)CC#N)c2[nH+]ccn2C)c1 ZINC000375382123 518167140 /nfs/dbraw/zinc/16/71/40/518167140.db2.gz VXFIRSFXTHUFBC-CQSZACIVSA-N 1 2 284.319 1.548 20 30 CDEDLO CC(=O)N1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000183940023 519590466 /nfs/dbraw/zinc/59/04/66/519590466.db2.gz MZUVCFCKMFSZIL-GFCCVEGCSA-N 1 2 257.337 1.783 20 30 CDEDLO Cc1cnc([C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)o1 ZINC000329242123 534631024 /nfs/dbraw/zinc/63/10/24/534631024.db2.gz OBMLELITPFLKKB-VHSXEESVSA-N 1 2 253.302 1.331 20 30 CDEDLO Cc1cnc([C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)o1 ZINC000329242123 534631030 /nfs/dbraw/zinc/63/10/30/534631030.db2.gz OBMLELITPFLKKB-VHSXEESVSA-N 1 2 253.302 1.331 20 30 CDEDLO COCC[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000049236671 523573780 /nfs/dbraw/zinc/57/37/80/523573780.db2.gz OJSYZZFRXFTITR-UHFFFAOYSA-N 1 2 293.392 1.819 20 30 CDEDLO COCC[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000049236671 523573787 /nfs/dbraw/zinc/57/37/87/523573787.db2.gz OJSYZZFRXFTITR-UHFFFAOYSA-N 1 2 293.392 1.819 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)cc1C#N ZINC000338589208 524037427 /nfs/dbraw/zinc/03/74/27/524037427.db2.gz RLCREKICTFWZJD-AWEZNQCLSA-N 1 2 264.300 1.473 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@@](F)(CO)C2)cc1C#N ZINC000338589208 524037430 /nfs/dbraw/zinc/03/74/30/524037430.db2.gz RLCREKICTFWZJD-AWEZNQCLSA-N 1 2 264.300 1.473 20 30 CDEDLO Cc1nn(Cc2[nH+]ccn2CC(F)(F)F)cc1C#N ZINC000359391143 526300208 /nfs/dbraw/zinc/30/02/08/526300208.db2.gz LKNZWCVALMZSAM-UHFFFAOYSA-N 1 2 269.230 1.870 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(-c3cnco3)cc2)CC1 ZINC000725906117 574461586 /nfs/dbraw/zinc/46/15/86/574461586.db2.gz UGNWKRAAGWUASZ-UHFFFAOYSA-N 1 2 295.342 1.733 20 30 CDEDLO CCS(=O)(=O)CC[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000774908586 575250242 /nfs/dbraw/zinc/25/02/42/575250242.db2.gz MMKJZPHQRSTZKZ-UHFFFAOYSA-N 1 2 280.393 1.733 20 30 CDEDLO CCS(=O)(=O)CC[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000774908586 575250245 /nfs/dbraw/zinc/25/02/45/575250245.db2.gz MMKJZPHQRSTZKZ-UHFFFAOYSA-N 1 2 280.393 1.733 20 30 CDEDLO Cc1nn(C)c(Cl)c1C[NH+]1CCN(CCC#N)CC1 ZINC000729929120 574832789 /nfs/dbraw/zinc/83/27/89/574832789.db2.gz CWGSEVBRSQURLW-UHFFFAOYSA-N 1 2 281.791 1.413 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)N[C@@H](CCCC)C1=O)C1CC1 ZINC000771640116 575599906 /nfs/dbraw/zinc/59/99/06/575599906.db2.gz LIVSREOVABYUHS-LBPRGKRZSA-N 1 2 265.357 1.705 20 30 CDEDLO C=CC[N@H+](CN1C(=O)N[C@@H](CCCC)C1=O)C1CC1 ZINC000771640116 575599909 /nfs/dbraw/zinc/59/99/09/575599909.db2.gz LIVSREOVABYUHS-LBPRGKRZSA-N 1 2 265.357 1.705 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2cc(C)cc3cn[nH]c32)CC1 ZINC000733161494 575102888 /nfs/dbraw/zinc/10/28/88/575102888.db2.gz USVDXZISPPHYGE-UHFFFAOYSA-N 1 2 282.347 1.262 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2cc(C)cc3c[nH]nc32)CC1 ZINC000733161494 575102889 /nfs/dbraw/zinc/10/28/89/575102889.db2.gz USVDXZISPPHYGE-UHFFFAOYSA-N 1 2 282.347 1.262 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2c(C)nn(CCC)c2C)CC1 ZINC000759790627 576430771 /nfs/dbraw/zinc/43/07/71/576430771.db2.gz NFPRMQXTWBOOQL-UHFFFAOYSA-N 1 2 288.395 1.301 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761056642 576539354 /nfs/dbraw/zinc/53/93/54/576539354.db2.gz OQWVPKJFUQUECN-PWSUYJOCSA-N 1 2 291.317 1.925 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761056642 576539356 /nfs/dbraw/zinc/53/93/56/576539356.db2.gz OQWVPKJFUQUECN-PWSUYJOCSA-N 1 2 291.317 1.925 20 30 CDEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000735963816 575540343 /nfs/dbraw/zinc/54/03/43/575540343.db2.gz NSPDPJILXIJAKY-QMMMGPOBSA-N 1 2 260.276 1.398 20 30 CDEDLO NC(=O)CO[NH+]=Cc1c(Cl)cccc1N1CCOCC1 ZINC000771575772 575680573 /nfs/dbraw/zinc/68/05/73/575680573.db2.gz XZTRIPHVTNYDLP-UHFFFAOYSA-N 1 2 297.742 1.012 20 30 CDEDLO C#C[C@H](NC(=O)Cn1c(C)[nH+]c2ccccc21)[C@@H]1CCCO1 ZINC000772881510 575762498 /nfs/dbraw/zinc/76/24/98/575762498.db2.gz MCMXBNMZOJWKLQ-BBRMVZONSA-N 1 2 297.358 1.642 20 30 CDEDLO CCS(=O)(=O)C=C(C)NNc1[nH+]ccnc1C(C)C ZINC000773092152 575782170 /nfs/dbraw/zinc/78/21/70/575782170.db2.gz ZLHPDIUAFSBIPN-UHFFFAOYSA-N 1 2 284.385 1.823 20 30 CDEDLO C[C@@H]1CC(=NNS(=O)(=O)c2ccc(F)cc2)C[N@@H+]1C ZINC000764723311 575938653 /nfs/dbraw/zinc/93/86/53/575938653.db2.gz RZHQKRKFYXHMBP-SECBINFHSA-N 1 2 285.344 1.184 20 30 CDEDLO C[C@@H]1CC(=NNS(=O)(=O)c2ccc(F)cc2)C[N@H+]1C ZINC000764723311 575938655 /nfs/dbraw/zinc/93/86/55/575938655.db2.gz RZHQKRKFYXHMBP-SECBINFHSA-N 1 2 285.344 1.184 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2coc(C3CCC3)n2)CC1 ZINC000767798294 576230502 /nfs/dbraw/zinc/23/05/02/576230502.db2.gz ZTJOMFSRQOKVNK-UHFFFAOYSA-N 1 2 287.363 1.723 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)C[C@H](OCC)C(C)C)CC1 ZINC000760584485 576495055 /nfs/dbraw/zinc/49/50/55/576495055.db2.gz FMYASKZOGRNGBY-AWEZNQCLSA-N 1 2 266.385 1.215 20 30 CDEDLO C=CCN(CC=C)C(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000741147861 576539397 /nfs/dbraw/zinc/53/93/97/576539397.db2.gz XAQMPCDJYLVSOY-ZDUSSCGKSA-N 1 2 280.368 1.215 20 30 CDEDLO C=CCN(CC=C)C(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000741147861 576539398 /nfs/dbraw/zinc/53/93/98/576539398.db2.gz XAQMPCDJYLVSOY-ZDUSSCGKSA-N 1 2 280.368 1.215 20 30 CDEDLO C=CCN1CC(=O)N(Cc2cn3c(cccc3C)[nH+]2)C1=O ZINC000761272244 576564486 /nfs/dbraw/zinc/56/44/86/576564486.db2.gz AYUPVJJSYHCRNU-UHFFFAOYSA-N 1 2 284.319 1.593 20 30 CDEDLO CCC(COC)N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761835086 576596818 /nfs/dbraw/zinc/59/68/18/576596818.db2.gz KLNRKWWPMIOZLO-UHFFFAOYSA-N 1 2 260.301 1.487 20 30 CDEDLO C[C@H](c1ccco1)[N@H+](CC(=O)NCCC#N)C1CC1 ZINC000754872337 576920298 /nfs/dbraw/zinc/92/02/98/576920298.db2.gz QMWLQZULWGAOEQ-LLVKDONJSA-N 1 2 261.325 1.835 20 30 CDEDLO C[C@H](c1ccco1)[N@@H+](CC(=O)NCCC#N)C1CC1 ZINC000754872337 576920299 /nfs/dbraw/zinc/92/02/99/576920299.db2.gz QMWLQZULWGAOEQ-LLVKDONJSA-N 1 2 261.325 1.835 20 30 CDEDLO CC(C)C[N@H+](CCC#N)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000755670695 576954584 /nfs/dbraw/zinc/95/45/84/576954584.db2.gz POIBSNPSHJAGSZ-HNNXBMFYSA-N 1 2 278.400 1.913 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000755670695 576954586 /nfs/dbraw/zinc/95/45/86/576954586.db2.gz POIBSNPSHJAGSZ-HNNXBMFYSA-N 1 2 278.400 1.913 20 30 CDEDLO COc1cc(C)nc(N=NCc2c[nH+]c3ccccn23)n1 ZINC000755752382 576958962 /nfs/dbraw/zinc/95/89/62/576958962.db2.gz DPRKVHKWQYEWOL-UHFFFAOYSA-N 1 2 282.307 1.887 20 30 CDEDLO COc1ccc[nH+]c1N1CCN(c2ccc(C#N)nc2)CC1 ZINC000750028942 576972507 /nfs/dbraw/zinc/97/25/07/576972507.db2.gz CNNLMBPXOHVBDY-UHFFFAOYSA-N 1 2 295.346 1.683 20 30 CDEDLO CC(=NN1CC[NH+](C)CC1)c1cc(F)cc(F)c1O ZINC000757451548 577040385 /nfs/dbraw/zinc/04/03/85/577040385.db2.gz TVHFVHRZCHSKLB-UHFFFAOYSA-N 1 2 269.295 1.642 20 30 CDEDLO C[C@@H]1C[N@H+](C)CC1=NNc1nc(=O)c2ccccc2[nH]1 ZINC000757585021 577043920 /nfs/dbraw/zinc/04/39/20/577043920.db2.gz WKQIAAPNVYOFEK-SECBINFHSA-N 1 2 271.324 1.685 20 30 CDEDLO C[C@@H]1C[N@@H+](C)CC1=NNc1nc(=O)c2ccccc2[nH]1 ZINC000757585021 577043921 /nfs/dbraw/zinc/04/39/21/577043921.db2.gz WKQIAAPNVYOFEK-SECBINFHSA-N 1 2 271.324 1.685 20 30 CDEDLO COCC#CC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000757663244 577049231 /nfs/dbraw/zinc/04/92/31/577049231.db2.gz VBMHESIILXCUBS-ZDUSSCGKSA-N 1 2 282.384 1.577 20 30 CDEDLO COCC#CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000757663244 577049233 /nfs/dbraw/zinc/04/92/33/577049233.db2.gz VBMHESIILXCUBS-ZDUSSCGKSA-N 1 2 282.384 1.577 20 30 CDEDLO C=CC1CC[NH+](Cn2ccc(C)c(C#N)c2=O)CC1 ZINC000758225925 577085472 /nfs/dbraw/zinc/08/54/72/577085472.db2.gz OOYMFXCIYQTTEV-UHFFFAOYSA-N 1 2 257.337 1.884 20 30 CDEDLO C=CCNC(=S)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000759137408 577155231 /nfs/dbraw/zinc/15/52/31/577155231.db2.gz MXQVILGRDGCRGT-NEPJUHHUSA-N 1 2 264.398 1.827 20 30 CDEDLO C#C[C@H](CC)NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000753258371 577157841 /nfs/dbraw/zinc/15/78/41/577157841.db2.gz CMYVWSVGVSXUAJ-CYBMUJFWSA-N 1 2 275.352 1.519 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820220223 606660493 /nfs/dbraw/zinc/66/04/93/606660493.db2.gz OOLRWYWFDHLQQH-NSHDSACASA-N 1 2 286.339 1.479 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820220223 606660494 /nfs/dbraw/zinc/66/04/94/606660494.db2.gz OOLRWYWFDHLQQH-NSHDSACASA-N 1 2 286.339 1.479 20 30 CDEDLO C=CC[C@H]1CCN1C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000890550676 617203611 /nfs/dbraw/zinc/20/36/11/617203611.db2.gz ZZPLCIFYTVCVHA-FZDNWWAKSA-N 1 2 264.369 1.442 20 30 CDEDLO C=CC[C@H]1CCN1C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000890556574 617207320 /nfs/dbraw/zinc/20/73/20/617207320.db2.gz LTROQKLWGJWGBC-ZDUSSCGKSA-N 1 2 264.369 1.418 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cscn1 ZINC000960505045 617290252 /nfs/dbraw/zinc/29/02/52/617290252.db2.gz YODUHLKTDUWHKX-AAEUAGOBSA-N 1 2 292.408 1.726 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cscn1 ZINC000960505045 617290254 /nfs/dbraw/zinc/29/02/54/617290254.db2.gz YODUHLKTDUWHKX-AAEUAGOBSA-N 1 2 292.408 1.726 20 30 CDEDLO C#CC[NH+]1CC([C@@H](C)NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC000969858833 613122164 /nfs/dbraw/zinc/12/21/64/613122164.db2.gz ZZDDOTIEVLLWJR-SECBINFHSA-N 1 2 294.786 1.309 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C=C3CCC3)C2)C1 ZINC000972337581 613212154 /nfs/dbraw/zinc/21/21/54/613212154.db2.gz YRFORPAITWTFHI-MRXNPFEDSA-N 1 2 274.364 1.033 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C=C3CCC3)C2)C1 ZINC000972337581 613212157 /nfs/dbraw/zinc/21/21/57/613212157.db2.gz YRFORPAITWTFHI-MRXNPFEDSA-N 1 2 274.364 1.033 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)C1 ZINC000972538619 613213006 /nfs/dbraw/zinc/21/30/06/613213006.db2.gz WTZOOLRLXCKERE-BFYDXBDKSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)C1 ZINC000972538619 613213008 /nfs/dbraw/zinc/21/30/08/613213008.db2.gz WTZOOLRLXCKERE-BFYDXBDKSA-N 1 2 290.407 1.359 20 30 CDEDLO C=C(C)CC[NH+]1CC(N(CC)C(=O)c2ncccc2O)C1 ZINC000949952510 613246727 /nfs/dbraw/zinc/24/67/27/613246727.db2.gz PDRZRIPTFVLKPX-UHFFFAOYSA-N 1 2 289.379 1.900 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCOCC2)C1 ZINC000949986966 613294403 /nfs/dbraw/zinc/29/44/03/613294403.db2.gz ZDEPAWNYYFNGGQ-CQSZACIVSA-N 1 2 280.412 1.912 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@@H]2OCC)C1 ZINC000949716470 613294998 /nfs/dbraw/zinc/29/49/98/613294998.db2.gz VFTUXGHNZMRSRW-KGLIPLIRSA-N 1 2 266.385 1.520 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnc3nccn3c2)C1 ZINC000950879598 613297397 /nfs/dbraw/zinc/29/73/97/613297397.db2.gz KHEWKURGCRRJNO-UHFFFAOYSA-N 1 2 299.378 1.452 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC000949358037 613318726 /nfs/dbraw/zinc/31/87/26/613318726.db2.gz XBWBCUULPHBXHC-SOUVJXGZSA-N 1 2 278.396 1.522 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccn(CC)n2)CC1 ZINC000951196609 613321547 /nfs/dbraw/zinc/32/15/47/613321547.db2.gz ZFXBUJBOOHBGOR-UHFFFAOYSA-N 1 2 262.357 1.237 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(C)on2)C1 ZINC000969259966 613372380 /nfs/dbraw/zinc/37/23/80/613372380.db2.gz PBSGQNVLFCAANB-JTQLQIEISA-N 1 2 283.759 1.786 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2n[nH]c(C)c2C)C1 ZINC000969404460 613372654 /nfs/dbraw/zinc/37/26/54/613372654.db2.gz MDBGBJFSILQMSK-NSHDSACASA-N 1 2 296.802 1.829 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC000968400635 613377858 /nfs/dbraw/zinc/37/78/58/613377858.db2.gz RUFLPCHPPZFNQK-CABZTGNLSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC000968400635 613377859 /nfs/dbraw/zinc/37/78/59/613377859.db2.gz RUFLPCHPPZFNQK-CABZTGNLSA-N 1 2 296.802 1.911 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nc(C)no2)C1 ZINC000969585476 613436456 /nfs/dbraw/zinc/43/64/56/613436456.db2.gz WVESVTQMNHBCNO-CMPLNLGQSA-N 1 2 292.383 1.842 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2ocnc2C(F)F)CC1 ZINC000981968244 613556668 /nfs/dbraw/zinc/55/66/68/613556668.db2.gz RYVJRRSHMOQPCR-UHFFFAOYSA-N 1 2 297.305 1.783 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2ocnc2C(F)F)CC1 ZINC000981968244 613556671 /nfs/dbraw/zinc/55/66/71/613556671.db2.gz RYVJRRSHMOQPCR-UHFFFAOYSA-N 1 2 297.305 1.783 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCc2cscn2)CC1 ZINC000957876550 613562021 /nfs/dbraw/zinc/56/20/21/613562021.db2.gz OMXMJLIXWCUYAA-UHFFFAOYSA-N 1 2 277.393 1.243 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H](C)n2cccc2)CC1 ZINC000957384520 613563196 /nfs/dbraw/zinc/56/31/96/613563196.db2.gz VAZJUFCSRMOZBR-HNNXBMFYSA-N 1 2 273.380 1.607 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)SC)C2)C1 ZINC000972269390 613570769 /nfs/dbraw/zinc/57/07/69/613570769.db2.gz MVOWUDCEZVVCPC-UKRRQHHQSA-N 1 2 296.436 1.065 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)SC)C2)C1 ZINC000972269390 613570770 /nfs/dbraw/zinc/57/07/70/613570770.db2.gz MVOWUDCEZVVCPC-UKRRQHHQSA-N 1 2 296.436 1.065 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC34CC4)C2)C1 ZINC000972570230 613571062 /nfs/dbraw/zinc/57/10/62/613571062.db2.gz VJHRTNZAUKNEHI-RHSMWYFYSA-N 1 2 288.391 1.113 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC34CC4)C2)C1 ZINC000972570230 613571066 /nfs/dbraw/zinc/57/10/66/613571066.db2.gz VJHRTNZAUKNEHI-RHSMWYFYSA-N 1 2 288.391 1.113 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCOC2)C1 ZINC000949750772 613653853 /nfs/dbraw/zinc/65/38/53/613653853.db2.gz GICWNFOKGQMTAO-GFCCVEGCSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2Cc3cccnc3C2)C1 ZINC000957329063 613655933 /nfs/dbraw/zinc/65/59/33/613655933.db2.gz RUBMROGHUOEQRJ-AWEZNQCLSA-N 1 2 285.391 1.515 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cccc(=O)[nH]2)C1 ZINC000949843081 613657924 /nfs/dbraw/zinc/65/79/24/613657924.db2.gz UYHRTCFVUOFNDX-UHFFFAOYSA-N 1 2 261.325 1.120 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)COC2CCCCC2)CC1 ZINC000949031999 613708260 /nfs/dbraw/zinc/70/82/60/613708260.db2.gz FSIAIFZNEUYKFK-UHFFFAOYSA-N 1 2 266.385 1.666 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc3n[nH]cc3c2)CC1 ZINC000949269362 613709534 /nfs/dbraw/zinc/70/95/34/613709534.db2.gz NVUQLMRMULZGNM-UHFFFAOYSA-N 1 2 284.363 1.436 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3c(c2)nnn3CC)CC1 ZINC000957621412 613716113 /nfs/dbraw/zinc/71/61/13/613716113.db2.gz GCMQHLZGULDMSK-UHFFFAOYSA-N 1 2 299.378 1.395 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(OC)c(F)c2)CC1 ZINC000948875964 613716486 /nfs/dbraw/zinc/71/64/86/613716486.db2.gz VRDJMDSVRZLGEN-UHFFFAOYSA-N 1 2 278.327 1.778 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H]3C)C2)C1 ZINC000972506273 613724526 /nfs/dbraw/zinc/72/45/26/613724526.db2.gz JEWVZGHGUJQGSO-YDHLFZDLSA-N 1 2 264.369 1.132 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H]3C)C2)C1 ZINC000972506273 613724529 /nfs/dbraw/zinc/72/45/29/613724529.db2.gz JEWVZGHGUJQGSO-YDHLFZDLSA-N 1 2 264.369 1.132 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ocnc3C)C2)C1 ZINC000972321814 613727246 /nfs/dbraw/zinc/72/72/46/613727246.db2.gz XVMQCCQJVPUFKR-OAHLLOKOSA-N 1 2 291.351 1.086 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ocnc3C)C2)C1 ZINC000972321814 613727250 /nfs/dbraw/zinc/72/72/50/613727250.db2.gz XVMQCCQJVPUFKR-OAHLLOKOSA-N 1 2 291.351 1.086 20 30 CDEDLO C=C1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000892756659 617706109 /nfs/dbraw/zinc/70/61/09/617706109.db2.gz CWBIGBFYEJNFNG-UHFFFAOYSA-N 1 2 281.400 1.459 20 30 CDEDLO C=C1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000892756659 617706117 /nfs/dbraw/zinc/70/61/17/617706117.db2.gz CWBIGBFYEJNFNG-UHFFFAOYSA-N 1 2 281.400 1.459 20 30 CDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H]1CO ZINC000934021203 617860650 /nfs/dbraw/zinc/86/06/50/617860650.db2.gz DMTOMVKJJOUDEA-SKDRFNHKSA-N 1 2 293.754 1.605 20 30 CDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H]1CO ZINC000934021203 617860652 /nfs/dbraw/zinc/86/06/52/617860652.db2.gz DMTOMVKJJOUDEA-SKDRFNHKSA-N 1 2 293.754 1.605 20 30 CDEDLO C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000157024155 617951341 /nfs/dbraw/zinc/95/13/41/617951341.db2.gz XPMYSHYPFPMJKH-JTQLQIEISA-N 1 2 290.367 1.475 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(OCC)o2)C1=O ZINC000894232282 618740599 /nfs/dbraw/zinc/74/05/99/618740599.db2.gz XYUXLHSSUDRGLO-ZDUSSCGKSA-N 1 2 278.352 1.897 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(OCC)o2)C1=O ZINC000894232282 618740600 /nfs/dbraw/zinc/74/06/00/618740600.db2.gz XYUXLHSSUDRGLO-ZDUSSCGKSA-N 1 2 278.352 1.897 20 30 CDEDLO C=CCC[C@@H]([NH2+]C1CCS(=O)CC1)C(=O)OCC ZINC000894759523 619042847 /nfs/dbraw/zinc/04/28/47/619042847.db2.gz ZFVAPWILTOERCK-BJCXPLBRSA-N 1 2 273.398 1.385 20 30 CDEDLO C[C@@H](Nc1nc(C#N)c(Cl)s1)[C@H]1CN(C)CC[N@@H+]1C ZINC000895246714 619491930 /nfs/dbraw/zinc/49/19/30/619491930.db2.gz PWVCRJCRPFKGRH-PSASIEDQSA-N 1 2 299.831 1.714 20 30 CDEDLO C[C@@H](Nc1nc(C#N)c(Cl)s1)[C@H]1CN(C)CC[N@H+]1C ZINC000895246714 619491934 /nfs/dbraw/zinc/49/19/34/619491934.db2.gz PWVCRJCRPFKGRH-PSASIEDQSA-N 1 2 299.831 1.714 20 30 CDEDLO N#CCN1CCC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000895409816 619645166 /nfs/dbraw/zinc/64/51/66/619645166.db2.gz BGJLAHVIELCYIW-LBPRGKRZSA-N 1 2 297.362 1.528 20 30 CDEDLO CCc1nc(C#N)cc(N[C@@H](CC)C[NH+]2CCOCC2)n1 ZINC000895801969 619851913 /nfs/dbraw/zinc/85/19/13/619851913.db2.gz WYKCHYRMOHQTJN-LBPRGKRZSA-N 1 2 289.383 1.433 20 30 CDEDLO N#Cc1cnc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)s1 ZINC000896484808 620107260 /nfs/dbraw/zinc/10/72/60/620107260.db2.gz NBWLEBFUJJCYLP-QMMMGPOBSA-N 1 2 273.321 1.412 20 30 CDEDLO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)[nH]1 ZINC000898495913 621767027 /nfs/dbraw/zinc/76/70/27/621767027.db2.gz OUGVBVGKUNMXGO-LLVKDONJSA-N 1 2 264.304 1.050 20 30 CDEDLO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)[nH]1 ZINC000898495913 621767029 /nfs/dbraw/zinc/76/70/29/621767029.db2.gz OUGVBVGKUNMXGO-LLVKDONJSA-N 1 2 264.304 1.050 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899062662 622039469 /nfs/dbraw/zinc/03/94/69/622039469.db2.gz WNIUCSRNCLEHCY-CQSZACIVSA-N 1 2 282.384 1.154 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899062662 622039471 /nfs/dbraw/zinc/03/94/71/622039471.db2.gz WNIUCSRNCLEHCY-CQSZACIVSA-N 1 2 282.384 1.154 20 30 CDEDLO C/C=C\C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000899895049 622512055 /nfs/dbraw/zinc/51/20/55/622512055.db2.gz FDQRQNCVPYEWSL-IHWYPQMZSA-N 1 2 269.348 1.779 20 30 CDEDLO C=C1C[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000899899732 622514028 /nfs/dbraw/zinc/51/40/28/622514028.db2.gz AYGWNFHBAAHGGK-LLVKDONJSA-N 1 2 256.346 1.134 20 30 CDEDLO C#CC[N@@H+](Cn1nc(C(=O)OC)c(Cl)c1C)C(C)C ZINC000905743460 626957337 /nfs/dbraw/zinc/95/73/37/626957337.db2.gz RLUUFSRVQLGWGT-UHFFFAOYSA-N 1 2 283.759 1.933 20 30 CDEDLO C#CC[N@H+](Cn1nc(C(=O)OC)c(Cl)c1C)C(C)C ZINC000905743460 626957341 /nfs/dbraw/zinc/95/73/41/626957341.db2.gz RLUUFSRVQLGWGT-UHFFFAOYSA-N 1 2 283.759 1.933 20 30 CDEDLO CCc1ccc([C@H](C#N)NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC000908212157 628076270 /nfs/dbraw/zinc/07/62/70/628076270.db2.gz OGVJTJMPVBSJOC-AWEZNQCLSA-N 1 2 268.320 1.896 20 30 CDEDLO N#C[C@H]1CCCN(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000921487912 632994899 /nfs/dbraw/zinc/99/48/99/632994899.db2.gz AUPBOOJWUSIHHL-CYBMUJFWSA-N 1 2 283.335 1.779 20 30 CDEDLO N#C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)C1CCCC1 ZINC000921552655 633075086 /nfs/dbraw/zinc/07/50/86/633075086.db2.gz XZQCCZCKCGNDBL-BOTMBNHJSA-N 1 2 277.368 1.073 20 30 CDEDLO CCOC(=O)[C@@H](C#N)Nc1cn2cc[nH+]c2cc1OC ZINC001170371695 1162340455 /nfs/dbraw/zinc/34/04/55/1162340455.db2.gz XDIPQILMXSRXGY-SECBINFHSA-N 1 2 274.280 1.210 20 30 CDEDLO O[C@H](C[NH2+]CC(F)(F)C(F)F)CC(F)(F)F ZINC000307943535 1158766711 /nfs/dbraw/zinc/76/67/11/1158766711.db2.gz SNFUYGASCMFPPA-BYPYZUCNSA-N 1 2 257.149 1.790 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnnc(C)c2)[C@H]1C ZINC001088541534 1160502549 /nfs/dbraw/zinc/50/25/49/1160502549.db2.gz JOLZOBNCKPOVCF-YPMHNXCESA-N 1 2 294.786 1.730 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnnc(C)c2)[C@H]1C ZINC001088541534 1160502555 /nfs/dbraw/zinc/50/25/55/1160502555.db2.gz JOLZOBNCKPOVCF-YPMHNXCESA-N 1 2 294.786 1.730 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2[nH]ccc2C)C1 ZINC001107911791 1161333328 /nfs/dbraw/zinc/33/33/28/1161333328.db2.gz ALZKUUZVNWJJGP-INIZCTEOSA-N 1 2 289.379 1.167 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2[nH]ccc2C)C1 ZINC001107911791 1161333330 /nfs/dbraw/zinc/33/33/30/1161333330.db2.gz ALZKUUZVNWJJGP-INIZCTEOSA-N 1 2 289.379 1.167 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc(OCCC#N)cc2)C[NH2+]1 ZINC001169132093 1161999648 /nfs/dbraw/zinc/99/96/48/1161999648.db2.gz DHNCOOBCNXNHQD-OCCSQVGLSA-N 1 2 289.335 1.294 20 30 CDEDLO CCNc1ccccc1C=[NH+]N(C)C(=S)NC ZINC000872380887 1165425658 /nfs/dbraw/zinc/42/56/58/1165425658.db2.gz DSTDYPXYTXZQNC-UHFFFAOYSA-N 1 2 250.371 1.888 20 30 CDEDLO N#Cc1c[nH]nc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC001630643708 1166219437 /nfs/dbraw/zinc/21/94/37/1166219437.db2.gz SZPWBMOYIXWEMZ-UHFFFAOYSA-N 1 2 292.302 1.778 20 30 CDEDLO C=C(Cl)C[NH2+]C/C=C\CNC(=O)CCCc1cnn[nH]1 ZINC001575058682 1171097350 /nfs/dbraw/zinc/09/73/50/1171097350.db2.gz FFUYMBKXNRNVPT-IHWYPQMZSA-N 1 2 297.790 1.142 20 30 CDEDLO C[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)[C@H]1CCC[C@@H]1C#N ZINC001591150190 1173582818 /nfs/dbraw/zinc/58/28/18/1173582818.db2.gz SYCJMHJGXXSIIS-YPMHNXCESA-N 1 2 283.339 1.386 20 30 CDEDLO C[N@@H+](Cc1ccnc(-c2nn[nH]n2)c1)[C@H]1CCC[C@@H]1C#N ZINC001591150190 1173582821 /nfs/dbraw/zinc/58/28/21/1173582821.db2.gz SYCJMHJGXXSIIS-YPMHNXCESA-N 1 2 283.339 1.386 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccn(C)c1 ZINC001733032846 1183252607 /nfs/dbraw/zinc/25/26/07/1183252607.db2.gz HZKLMVHXMYFDQA-NSHDSACASA-N 1 2 269.776 1.828 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccn(C)c1 ZINC001733032846 1183252612 /nfs/dbraw/zinc/25/26/12/1183252612.db2.gz HZKLMVHXMYFDQA-NSHDSACASA-N 1 2 269.776 1.828 20 30 CDEDLO C=CCOCC(=O)NC1C[NH+](CCCCC(F)(F)F)C1 ZINC001753373492 1184473621 /nfs/dbraw/zinc/47/36/21/1184473621.db2.gz XMRZEPMMVHDODZ-UHFFFAOYSA-N 1 2 294.317 1.722 20 30 CDEDLO C#CCCCC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2noc(C)n2)C1 ZINC001752628273 1184885723 /nfs/dbraw/zinc/88/57/23/1184885723.db2.gz UTVLGADGEZKSBZ-DRZSPHRISA-N 1 2 290.367 1.479 20 30 CDEDLO CCc1ccccc1C[NH+]1CC(NC(=O)C#CC2CC2)C1 ZINC001753376196 1185176544 /nfs/dbraw/zinc/17/65/44/1185176544.db2.gz KGCSSHXHPAVSQF-UHFFFAOYSA-N 1 2 282.387 1.963 20 30 CDEDLO C=CCCC(=O)N(C)[C@H](C)C[NH2+][C@H](C)c1nc(C)no1 ZINC001753681702 1185298715 /nfs/dbraw/zinc/29/87/15/1185298715.db2.gz BVODFGPEWPSZKG-GHMZBOCLSA-N 1 2 280.372 1.842 20 30 CDEDLO Cc1cn(C(C)(C)C(=O)NC[C@H](NCC#N)C(C)C)c[nH+]1 ZINC001753833039 1185349973 /nfs/dbraw/zinc/34/99/73/1185349973.db2.gz ZPAGLNIGVSKKGN-ZDUSSCGKSA-N 1 2 291.399 1.181 20 30 CDEDLO C#CCC[N@@H+](C)C[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC001754308491 1185541474 /nfs/dbraw/zinc/54/14/74/1185541474.db2.gz AOCMYLPQOXDZNY-RKDXNWHRSA-N 1 2 268.254 1.347 20 30 CDEDLO C#CCC[N@H+](C)C[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC001754308491 1185541480 /nfs/dbraw/zinc/54/14/80/1185541480.db2.gz AOCMYLPQOXDZNY-RKDXNWHRSA-N 1 2 268.254 1.347 20 30 CDEDLO C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC001754308491 1185541485 /nfs/dbraw/zinc/54/14/85/1185541485.db2.gz AOCMYLPQOXDZNY-RKDXNWHRSA-N 1 2 268.254 1.347 20 30 CDEDLO C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC001754308491 1185541490 /nfs/dbraw/zinc/54/14/90/1185541490.db2.gz AOCMYLPQOXDZNY-RKDXNWHRSA-N 1 2 268.254 1.347 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)COc1ccc(C)cc1C ZINC001754502098 1185646014 /nfs/dbraw/zinc/64/60/14/1185646014.db2.gz CGOISUXNTVGFKO-OAHLLOKOSA-N 1 2 286.375 1.506 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)COc1ccc(C)cc1C ZINC001754502098 1185646019 /nfs/dbraw/zinc/64/60/19/1185646019.db2.gz CGOISUXNTVGFKO-OAHLLOKOSA-N 1 2 286.375 1.506 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@]23C[C@H]2CCC3)C1 ZINC001754579502 1185673582 /nfs/dbraw/zinc/67/35/82/1185673582.db2.gz RPCQZRYHTXZFOE-CZUORRHYSA-N 1 2 278.396 1.522 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@H]2CCO[C@H](C)C2)C1 ZINC001754585026 1185675294 /nfs/dbraw/zinc/67/52/94/1185675294.db2.gz LXABWFLYHIUVIS-KGLIPLIRSA-N 1 2 296.411 1.147 20 30 CDEDLO C=CCCC(=O)NCC1(O)C[NH+](Cc2ccccc2)C1 ZINC001754765075 1185725719 /nfs/dbraw/zinc/72/57/19/1185725719.db2.gz WKKLERCQUDNXML-UHFFFAOYSA-N 1 2 274.364 1.316 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@H](C)[N@@H+](C)Cc1cnnn1CC ZINC001755311384 1185909717 /nfs/dbraw/zinc/90/97/17/1185909717.db2.gz NIEARTFPFPHMAR-LBPRGKRZSA-N 1 2 293.415 1.447 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@H](C)[N@H+](C)Cc1cnnn1CC ZINC001755311384 1185909722 /nfs/dbraw/zinc/90/97/22/1185909722.db2.gz NIEARTFPFPHMAR-LBPRGKRZSA-N 1 2 293.415 1.447 20 30 CDEDLO Cc1cccn2cc(CC(=O)NC[C@H](C)N(C)CC#N)[nH+]c12 ZINC001755318793 1185913638 /nfs/dbraw/zinc/91/36/38/1185913638.db2.gz RXIVQSWMQHERKU-ZDUSSCGKSA-N 1 2 299.378 1.145 20 30 CDEDLO CO[C@@]1(C)CCC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000794663290 1164528708 /nfs/dbraw/zinc/52/87/08/1164528708.db2.gz ZDJJWRULBAODOF-AWEZNQCLSA-N 1 2 261.325 1.178 20 30 CDEDLO CO[C@@]1(C)CCC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000794663290 1164528714 /nfs/dbraw/zinc/52/87/14/1164528714.db2.gz ZDJJWRULBAODOF-AWEZNQCLSA-N 1 2 261.325 1.178 20 30 CDEDLO C=CCC[C@H](O)C[NH2+]Cc1noc(C(F)(F)F)n1 ZINC001252615199 1164653823 /nfs/dbraw/zinc/65/38/23/1164653823.db2.gz XCNREHBPJZMEEQ-ZETCQYMHSA-N 1 2 265.235 1.505 20 30 CDEDLO N#CC1CCC(CNC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000868052218 1164903327 /nfs/dbraw/zinc/90/33/27/1164903327.db2.gz GFOIIZZKWWEXCA-OWOJBTEDSA-N 1 2 291.395 1.321 20 30 CDEDLO C#CCC[C@@H](O)CNc1nc(NC)c2ccccc2[nH+]1 ZINC000828081478 1165446751 /nfs/dbraw/zinc/44/67/51/1165446751.db2.gz YYDWYCSZOKHOHI-LLVKDONJSA-N 1 2 270.336 1.858 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874892822 1165689920 /nfs/dbraw/zinc/68/99/20/1165689920.db2.gz MFJMRYUUCODYRY-GXFFZTMASA-N 1 2 261.300 1.458 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](CCCOC(F)(F)F)CC1 ZINC000878677971 1166231282 /nfs/dbraw/zinc/23/12/82/1166231282.db2.gz PEUGMAUUTMQCNQ-UHFFFAOYSA-N 1 2 294.273 1.692 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2C[C@@H]2C(C)C)C1 ZINC001044112765 796506028 /nfs/dbraw/zinc/50/60/28/796506028.db2.gz SMHZLDRYAAOQJA-KGLIPLIRSA-N 1 2 250.386 1.997 20 30 CDEDLO C=CC[N@H+](CN1C(=O)CC2(CCCC2)C1=O)[C@@H](C)COC ZINC000853533243 796538831 /nfs/dbraw/zinc/53/88/31/796538831.db2.gz ZDKJIXLJQWSXIH-ZDUSSCGKSA-N 1 2 294.395 1.786 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)CC2(CCCC2)C1=O)[C@@H](C)COC ZINC000853533243 796538838 /nfs/dbraw/zinc/53/88/38/796538838.db2.gz ZDKJIXLJQWSXIH-ZDUSSCGKSA-N 1 2 294.395 1.786 20 30 CDEDLO C#CC[C@H]1CCN(C(=O)N[C@H](C)Cn2cc[nH+]c2)C1 ZINC000887340754 796542342 /nfs/dbraw/zinc/54/23/42/796542342.db2.gz KDYJOYIHRRFPSN-OLZOCXBDSA-N 1 2 260.341 1.326 20 30 CDEDLO C=CCONC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000837048087 796576739 /nfs/dbraw/zinc/57/67/39/796576739.db2.gz MKKBHHRUWCXLMZ-UHFFFAOYSA-N 1 2 289.379 1.433 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2CCC(O)CC2)C1 ZINC001031635202 796580947 /nfs/dbraw/zinc/58/09/47/796580947.db2.gz NZRJTAUZGKJNOC-UHFFFAOYSA-N 1 2 286.803 1.338 20 30 CDEDLO Cc1nn(C[NH+]2CCC(CC#N)CC2)cc1[N+](=O)[O-] ZINC000781573130 796602454 /nfs/dbraw/zinc/60/24/54/796602454.db2.gz XUNKEWFRYOANSW-UHFFFAOYSA-N 1 2 263.301 1.683 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001031910915 796633640 /nfs/dbraw/zinc/63/36/40/796633640.db2.gz WVNDWZCKMCRBBE-ITGUQSILSA-N 1 2 268.788 1.833 20 30 CDEDLO N#CC1(NC(=O)/C=C/C[NH+]2CCOCC2)CCCCC1 ZINC000865077681 796679135 /nfs/dbraw/zinc/67/91/35/796679135.db2.gz LKZXUHUFLAPGOV-SNAWJCMRSA-N 1 2 277.368 1.217 20 30 CDEDLO N#CCC1(C[NH+]2CCN(CCCCO)CC2)CC1 ZINC000878260185 796748129 /nfs/dbraw/zinc/74/81/29/796748129.db2.gz RQPYJPAHELOLMH-UHFFFAOYSA-N 1 2 251.374 1.070 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001039109204 796751294 /nfs/dbraw/zinc/75/12/94/796751294.db2.gz ZZQYOMUEJSTPIZ-GJZGRUSLSA-N 1 2 284.359 1.122 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001039109204 796751300 /nfs/dbraw/zinc/75/13/00/796751300.db2.gz ZZQYOMUEJSTPIZ-GJZGRUSLSA-N 1 2 284.359 1.122 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccnc(N)c2)c1 ZINC000193312642 796773007 /nfs/dbraw/zinc/77/30/07/796773007.db2.gz SLPGKRHESMVTHA-UHFFFAOYSA-N 1 2 294.358 1.716 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccnc(N)c2)c1 ZINC000193312642 796773014 /nfs/dbraw/zinc/77/30/14/796773014.db2.gz SLPGKRHESMVTHA-UHFFFAOYSA-N 1 2 294.358 1.716 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC001030714142 796774104 /nfs/dbraw/zinc/77/41/04/796774104.db2.gz WAHOMFLTRDBMLL-HUUCEWRRSA-N 1 2 278.396 1.711 20 30 CDEDLO C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038602623 796777544 /nfs/dbraw/zinc/77/75/44/796777544.db2.gz MRLOLOKJRXJDMX-MJVIPROJSA-N 1 2 289.404 1.966 20 30 CDEDLO C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038602623 796777550 /nfs/dbraw/zinc/77/75/50/796777550.db2.gz MRLOLOKJRXJDMX-MJVIPROJSA-N 1 2 289.404 1.966 20 30 CDEDLO Cc1nc(N2CCN(C(=O)C#CC(C)(C)C)CC2)cc[nH+]1 ZINC000837535271 796811883 /nfs/dbraw/zinc/81/18/83/796811883.db2.gz ZTCWTRXDAUNKIY-UHFFFAOYSA-N 1 2 286.379 1.483 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@H]2CC3(CCC3)CO2)nn1 ZINC000881395870 796861541 /nfs/dbraw/zinc/86/15/41/796861541.db2.gz WKEHOJLMZCMCIZ-CQSZACIVSA-N 1 2 274.368 1.350 20 30 CDEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886815314 796861607 /nfs/dbraw/zinc/86/16/07/796861607.db2.gz BDUMGBPELJKCME-ONGXEEELSA-N 1 2 281.274 1.351 20 30 CDEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886815314 796861610 /nfs/dbraw/zinc/86/16/10/796861610.db2.gz BDUMGBPELJKCME-ONGXEEELSA-N 1 2 281.274 1.351 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2noc3c2C[C@H](C)CC3)C1 ZINC001031183757 796901055 /nfs/dbraw/zinc/90/10/55/796901055.db2.gz FEVZYUOEOBIRMK-LLVKDONJSA-N 1 2 289.379 1.790 20 30 CDEDLO C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C2=NC(=O)N(C)C2)C1 ZINC000989396918 796911952 /nfs/dbraw/zinc/91/19/52/796911952.db2.gz HSGPTKOBXJVRMY-ZJUUUORDSA-N 1 2 298.774 1.071 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2csc(CC(C)C)n2)C1 ZINC001031475249 796950799 /nfs/dbraw/zinc/95/07/99/796950799.db2.gz JZNYZQFDBGFSMZ-UHFFFAOYSA-N 1 2 291.420 1.779 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)sc1C ZINC001038473454 796987112 /nfs/dbraw/zinc/98/71/12/796987112.db2.gz BNVOGMYGHWUGQJ-LBPRGKRZSA-N 1 2 262.378 1.802 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)sc1C ZINC001038473454 796987153 /nfs/dbraw/zinc/98/71/53/796987153.db2.gz BNVOGMYGHWUGQJ-LBPRGKRZSA-N 1 2 262.378 1.802 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCCO[C@H](C)C#N)cc1 ZINC000802728934 797007990 /nfs/dbraw/zinc/00/79/90/797007990.db2.gz LZCJFZQPGBKYPN-SNVBAGLBSA-N 1 2 263.297 1.261 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2nc(C)n3ccccc23)C1 ZINC001030676567 797028276 /nfs/dbraw/zinc/02/82/76/797028276.db2.gz QFWFSFQJOIDKJN-UHFFFAOYSA-N 1 2 282.347 1.080 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2onc(C)c2C)C1 ZINC001007575343 797046626 /nfs/dbraw/zinc/04/66/26/797046626.db2.gz LJZBDKBIAMCRMF-LBPRGKRZSA-N 1 2 261.325 1.119 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2onc(C)c2C)C1 ZINC001007575343 797046635 /nfs/dbraw/zinc/04/66/35/797046635.db2.gz LJZBDKBIAMCRMF-LBPRGKRZSA-N 1 2 261.325 1.119 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2cc(C)no2)CC1 ZINC000777054409 797098317 /nfs/dbraw/zinc/09/83/17/797098317.db2.gz OCVZXPBTAYLYFC-UHFFFAOYSA-N 1 2 290.319 1.054 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncoc1CC ZINC001017438920 797164509 /nfs/dbraw/zinc/16/45/09/797164509.db2.gz WUORSXGEXKDYMK-BETUJISGSA-N 1 2 287.363 1.549 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncoc1CC ZINC001017438920 797164534 /nfs/dbraw/zinc/16/45/34/797164534.db2.gz WUORSXGEXKDYMK-BETUJISGSA-N 1 2 287.363 1.549 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001017446317 797188369 /nfs/dbraw/zinc/18/83/69/797188369.db2.gz KQVQJPMOURQZIQ-HUSMAVQQSA-N 1 2 272.392 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001017446317 797188373 /nfs/dbraw/zinc/18/83/73/797188373.db2.gz KQVQJPMOURQZIQ-HUSMAVQQSA-N 1 2 272.392 1.731 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccnc1C(F)(F)F ZINC001038744041 797334389 /nfs/dbraw/zinc/33/43/89/797334389.db2.gz ZIIBPIDJIOOIOM-JTQLQIEISA-N 1 2 297.280 1.538 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccnc1C(F)(F)F ZINC001038744041 797334401 /nfs/dbraw/zinc/33/44/01/797334401.db2.gz ZIIBPIDJIOOIOM-JTQLQIEISA-N 1 2 297.280 1.538 20 30 CDEDLO C#CCCN(CC(F)(F)F)C(=O)CCc1c[nH]c[nH+]1 ZINC000793831781 797334616 /nfs/dbraw/zinc/33/46/16/797334616.db2.gz RKVLKKFZUMXEDS-UHFFFAOYSA-N 1 2 273.258 1.757 20 30 CDEDLO C#CCCN(CC(F)(F)F)C(=O)CCc1c[nH+]c[nH]1 ZINC000793831781 797334624 /nfs/dbraw/zinc/33/46/24/797334624.db2.gz RKVLKKFZUMXEDS-UHFFFAOYSA-N 1 2 273.258 1.757 20 30 CDEDLO CSCc1n[nH]c(C[NH2+][C@H]2CCC[C@@H](C#N)C2)n1 ZINC000886757460 797346906 /nfs/dbraw/zinc/34/69/06/797346906.db2.gz HTQIMLVQWWMTSW-ZJUUUORDSA-N 1 2 265.386 1.840 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)C ZINC001018020686 797388278 /nfs/dbraw/zinc/38/82/78/797388278.db2.gz SLVFBXMDVBZENI-KFWWJZLASA-N 1 2 262.397 1.977 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)C ZINC001018020686 797388281 /nfs/dbraw/zinc/38/82/81/797388281.db2.gz SLVFBXMDVBZENI-KFWWJZLASA-N 1 2 262.397 1.977 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000827440111 797399223 /nfs/dbraw/zinc/39/92/23/797399223.db2.gz OREMAYIBIQNKAX-KRWDZBQOSA-N 1 2 293.455 1.827 20 30 CDEDLO C#C[C@H]([NH2+]Cc1ccc(Cl)nn1)[C@@H]1CCCO1 ZINC000877418361 797519596 /nfs/dbraw/zinc/51/95/96/797519596.db2.gz XVBXFHMOCXUOPC-QWRGUYRKSA-N 1 2 251.717 1.400 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)CCO2 ZINC001032643564 797559914 /nfs/dbraw/zinc/55/99/14/797559914.db2.gz HTDZCLSQJFSMOV-HOTGVXAUSA-N 1 2 296.370 1.544 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)CCO2 ZINC001032643564 797559928 /nfs/dbraw/zinc/55/99/28/797559928.db2.gz HTDZCLSQJFSMOV-HOTGVXAUSA-N 1 2 296.370 1.544 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C)n2cccn2)C1 ZINC001042497226 797688829 /nfs/dbraw/zinc/68/88/29/797688829.db2.gz NKIXCRSSAWGLIE-LBPRGKRZSA-N 1 2 262.357 1.163 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001006625457 797730947 /nfs/dbraw/zinc/73/09/47/797730947.db2.gz NYBSPRQNPFJHRT-SNVBAGLBSA-N 1 2 296.758 1.129 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001006625457 797730964 /nfs/dbraw/zinc/73/09/64/797730964.db2.gz NYBSPRQNPFJHRT-SNVBAGLBSA-N 1 2 296.758 1.129 20 30 CDEDLO CCOc1ccc(C=NNc2[nH+]ccn2C)c(O)c1 ZINC000790305677 797821946 /nfs/dbraw/zinc/82/19/46/797821946.db2.gz MFSCPPYIXYEKLG-UHFFFAOYSA-N 1 2 260.297 1.970 20 30 CDEDLO C#CC[N@H+]1CCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001072757818 797852030 /nfs/dbraw/zinc/85/20/30/797852030.db2.gz XJDWKNZWJIWEQM-SECBINFHSA-N 1 2 278.249 1.054 20 30 CDEDLO C#CC[N@@H+]1CCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001072757818 797852033 /nfs/dbraw/zinc/85/20/33/797852033.db2.gz XJDWKNZWJIWEQM-SECBINFHSA-N 1 2 278.249 1.054 20 30 CDEDLO C#CC[N@H+]1CCC2(CN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001072757818 797852035 /nfs/dbraw/zinc/85/20/35/797852035.db2.gz XJDWKNZWJIWEQM-SECBINFHSA-N 1 2 278.249 1.054 20 30 CDEDLO C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001072757818 797852036 /nfs/dbraw/zinc/85/20/36/797852036.db2.gz XJDWKNZWJIWEQM-SECBINFHSA-N 1 2 278.249 1.054 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cn2nc(C)c(Cl)c2C)C1 ZINC001031399645 797854446 /nfs/dbraw/zinc/85/44/46/797854446.db2.gz GVFLXLZXAYHMGW-UHFFFAOYSA-N 1 2 296.802 1.530 20 30 CDEDLO C=C(C)C[C@H](NC(=O)CCc1[nH]cc[nH+]1)C(=O)OCC ZINC000881754746 797869299 /nfs/dbraw/zinc/86/92/99/797869299.db2.gz WQQAMYAUCAZDBC-NSHDSACASA-N 1 2 279.340 1.356 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nsc2ccccc21 ZINC001032418551 797881299 /nfs/dbraw/zinc/88/12/99/797881299.db2.gz FNLKPTXWMICJCC-RYUDHWBXSA-N 1 2 297.383 1.828 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nsc2ccccc21 ZINC001032418551 797881300 /nfs/dbraw/zinc/88/13/00/797881300.db2.gz FNLKPTXWMICJCC-RYUDHWBXSA-N 1 2 297.383 1.828 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC13CCC3)CO2 ZINC001053941740 797888701 /nfs/dbraw/zinc/88/87/01/797888701.db2.gz DOGATPODZQHFLJ-KBPBESRZSA-N 1 2 290.407 1.712 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCCC1 ZINC001017780967 797896105 /nfs/dbraw/zinc/89/61/05/797896105.db2.gz WLETZUMGQIVBJK-OKILXGFUSA-N 1 2 260.381 1.875 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCCC1 ZINC001017780967 797896109 /nfs/dbraw/zinc/89/61/09/797896109.db2.gz WLETZUMGQIVBJK-OKILXGFUSA-N 1 2 260.381 1.875 20 30 CDEDLO CNC(=S)N(C)[NH+]=Cc1ccc(N(C)CCC#N)cc1 ZINC000841648549 797927565 /nfs/dbraw/zinc/92/75/65/797927565.db2.gz NETQOVPCXJGJIN-UHFFFAOYSA-N 1 2 289.408 1.806 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCO[C@H]1C=C ZINC001017561166 797928859 /nfs/dbraw/zinc/92/88/59/797928859.db2.gz RQHULOSXIVUAOI-QXSJWSMHSA-N 1 2 288.391 1.276 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCO[C@H]1C=C ZINC001017561166 797928889 /nfs/dbraw/zinc/92/88/89/797928889.db2.gz RQHULOSXIVUAOI-QXSJWSMHSA-N 1 2 288.391 1.276 20 30 CDEDLO C#C[C@H]([NH2+]Cc1c(C)nn(C)c1Cl)[C@@H]1CCCO1 ZINC000775795159 797984910 /nfs/dbraw/zinc/98/49/10/797984910.db2.gz MOGVYTQCANTQTQ-RYUDHWBXSA-N 1 2 267.760 1.652 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cnc(C)[nH]2)C1 ZINC001033769005 797988733 /nfs/dbraw/zinc/98/87/33/797988733.db2.gz DETCJUBTICITFW-CYBMUJFWSA-N 1 2 274.368 1.278 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnc(C)[nH]2)C1 ZINC001033769005 797988739 /nfs/dbraw/zinc/98/87/39/797988739.db2.gz DETCJUBTICITFW-CYBMUJFWSA-N 1 2 274.368 1.278 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)C(=O)N2[C@H](C)CCC[C@@H]2C)C1 ZINC001031161412 797991089 /nfs/dbraw/zinc/99/10/89/797991089.db2.gz ONKJBLKEQKSZAT-BETUJISGSA-N 1 2 293.411 1.152 20 30 CDEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)C(F)F ZINC001009810442 798015468 /nfs/dbraw/zinc/01/54/68/798015468.db2.gz RZLWSGAXCFVZSL-ZDUSSCGKSA-N 1 2 296.292 1.633 20 30 CDEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)C(F)F ZINC001009810442 798015474 /nfs/dbraw/zinc/01/54/74/798015474.db2.gz RZLWSGAXCFVZSL-ZDUSSCGKSA-N 1 2 296.292 1.633 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(C)(F)F ZINC001032633692 798034558 /nfs/dbraw/zinc/03/45/58/798034558.db2.gz BYMAEIMAVLECES-WOPDTQHZSA-N 1 2 270.323 1.586 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(C)(F)F ZINC001032633692 798034567 /nfs/dbraw/zinc/03/45/67/798034567.db2.gz BYMAEIMAVLECES-WOPDTQHZSA-N 1 2 270.323 1.586 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCOCC1)C2 ZINC001095085515 912374954 /nfs/dbraw/zinc/37/49/54/912374954.db2.gz PVCQUWKNNNTQAU-RDBSUJKOSA-N 1 2 298.814 1.887 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCOCC1)C2 ZINC001095085515 912374968 /nfs/dbraw/zinc/37/49/68/912374968.db2.gz PVCQUWKNNNTQAU-RDBSUJKOSA-N 1 2 298.814 1.887 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2O)CC[C@@H]1O ZINC001232673778 912384739 /nfs/dbraw/zinc/38/47/39/912384739.db2.gz NAXXQWAJSYSOGY-FZMZJTMJSA-N 1 2 260.337 1.857 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)CC[C@@H]1O ZINC001232673778 912384759 /nfs/dbraw/zinc/38/47/59/912384759.db2.gz NAXXQWAJSYSOGY-FZMZJTMJSA-N 1 2 260.337 1.857 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3ccncc3n2)C1 ZINC001030690806 912533362 /nfs/dbraw/zinc/53/33/62/912533362.db2.gz YJKPLKYZZZKIST-UHFFFAOYSA-N 1 2 280.331 1.067 20 30 CDEDLO N#Cc1cc[nH]c1C[NH+]1CCC2(CCOC2=O)CC1 ZINC001233048886 912688635 /nfs/dbraw/zinc/68/86/35/912688635.db2.gz QCDBHCPUCZYUKT-UHFFFAOYSA-N 1 2 259.309 1.415 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccn(C(C)C)c2C)C1 ZINC001030826182 912814497 /nfs/dbraw/zinc/81/44/97/912814497.db2.gz SOOYUTPPICGPLF-UHFFFAOYSA-N 1 2 273.380 1.815 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cn2cnc3ccc(C)cc32)C1 ZINC001030836161 912851210 /nfs/dbraw/zinc/85/12/10/912851210.db2.gz GNKVDOOYVAMOQN-UHFFFAOYSA-N 1 2 296.374 1.168 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c(Cl)cncc2Cl)C1 ZINC001030893238 913027824 /nfs/dbraw/zinc/02/78/24/913027824.db2.gz YNFWIHPGHWKIBO-UHFFFAOYSA-N 1 2 298.173 1.826 20 30 CDEDLO C=CCOCC(=O)N1CCC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001095294616 913075730 /nfs/dbraw/zinc/07/57/30/913075730.db2.gz RWOJTXMYEJHRPG-CYBMUJFWSA-N 1 2 290.367 1.391 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ncsc2C2CC2)C1 ZINC001030951461 913264198 /nfs/dbraw/zinc/26/41/98/913264198.db2.gz VPCHYVXJSSDIJX-UHFFFAOYSA-N 1 2 275.377 1.458 20 30 CDEDLO C[N@@H+]1CCCn2nc(C(=O)N3CCC[C@@H](C#N)C3)cc2C1 ZINC001175077073 913454574 /nfs/dbraw/zinc/45/45/74/913454574.db2.gz JOGLFBDYDFAQAP-LBPRGKRZSA-N 1 2 287.367 1.094 20 30 CDEDLO C[N@H+]1CCCn2nc(C(=O)N3CCC[C@@H](C#N)C3)cc2C1 ZINC001175077073 913454577 /nfs/dbraw/zinc/45/45/77/913454577.db2.gz JOGLFBDYDFAQAP-LBPRGKRZSA-N 1 2 287.367 1.094 20 30 CDEDLO C#Cc1cc(Nc2ccccc2[S@](C)=O)cc[nH+]1 ZINC001175303667 913529558 /nfs/dbraw/zinc/52/95/58/913529558.db2.gz RNUOGCIHVDWICY-SFHVURJKSA-N 1 2 256.330 1.966 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)c2c(C)noc2C)C1 ZINC001031102234 913603381 /nfs/dbraw/zinc/60/33/81/913603381.db2.gz VXPFKDWCXABSJN-SNVBAGLBSA-N 1 2 277.368 1.771 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2NC(=O)c3ccccc32)C1 ZINC001031128862 913696757 /nfs/dbraw/zinc/69/67/57/913696757.db2.gz IYIOUCNGMCQVNO-HNNXBMFYSA-N 1 2 299.374 1.238 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1nn(C)cc1Cl ZINC001480867853 894227794 /nfs/dbraw/zinc/22/77/94/894227794.db2.gz BQVYZSOCKPCDCR-UHFFFAOYSA-N 1 2 291.182 1.488 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1nn(C)cc1Cl ZINC001480867853 894227803 /nfs/dbraw/zinc/22/78/03/894227803.db2.gz BQVYZSOCKPCDCR-UHFFFAOYSA-N 1 2 291.182 1.488 20 30 CDEDLO COc1cc(C#N)nc(N2CCC(n3cc[nH+]c3)CC2)c1 ZINC001167126151 894658311 /nfs/dbraw/zinc/65/83/11/894658311.db2.gz PTCYEKSPVBEYEA-UHFFFAOYSA-N 1 2 283.335 2.000 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3c(c2)CCN3C)C1 ZINC001031207064 914008405 /nfs/dbraw/zinc/00/84/05/914008405.db2.gz DKIJBWHEJGCPEE-UHFFFAOYSA-N 1 2 285.391 1.669 20 30 CDEDLO C=CC[N@@H+](CCC1(OC)CCC1)CC(=O)OCC ZINC000386600875 896923310 /nfs/dbraw/zinc/92/33/10/896923310.db2.gz HLQOSGZTUWRUMK-UHFFFAOYSA-N 1 2 255.358 1.997 20 30 CDEDLO C=CC[N@H+](CCC1(OC)CCC1)CC(=O)OCC ZINC000386600875 896923317 /nfs/dbraw/zinc/92/33/17/896923317.db2.gz HLQOSGZTUWRUMK-UHFFFAOYSA-N 1 2 255.358 1.997 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2scnc21 ZINC001038258844 897408094 /nfs/dbraw/zinc/40/80/94/897408094.db2.gz HSPLOEVKASAXME-LLVKDONJSA-N 1 2 285.372 1.734 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2scnc21 ZINC001038258844 897408103 /nfs/dbraw/zinc/40/81/03/897408103.db2.gz HSPLOEVKASAXME-LLVKDONJSA-N 1 2 285.372 1.734 20 30 CDEDLO C=C(C)CCNC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000835706080 897851596 /nfs/dbraw/zinc/85/15/96/897851596.db2.gz PLCIHCXJSYWDBV-UHFFFAOYSA-N 1 2 290.367 1.477 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2occc2[nH]1 ZINC001038314949 898264200 /nfs/dbraw/zinc/26/42/00/898264200.db2.gz OCHGJIWWZCCRSL-NSHDSACASA-N 1 2 271.320 1.588 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2occc2[nH]1 ZINC001038314949 898264214 /nfs/dbraw/zinc/26/42/14/898264214.db2.gz OCHGJIWWZCCRSL-NSHDSACASA-N 1 2 271.320 1.588 20 30 CDEDLO COC(=O)c1scc(C#N)c1NC(=O)Cc1c[nH]c[nH+]1 ZINC001176827505 914282261 /nfs/dbraw/zinc/28/22/61/914282261.db2.gz LOONRGNBQJRPMN-UHFFFAOYSA-N 1 2 290.304 1.311 20 30 CDEDLO CC(=O)Nc1ccc(NC(=O)Cc2c[nH]c[nH+]2)cc1C#N ZINC001176832508 914294897 /nfs/dbraw/zinc/29/48/97/914294897.db2.gz SYJMIEDWMNQYLC-UHFFFAOYSA-N 1 2 283.291 1.421 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC001031275883 914325747 /nfs/dbraw/zinc/32/57/47/914325747.db2.gz ZQRRBEGUXYBPNH-UHFFFAOYSA-N 1 2 288.366 1.927 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCCCC)C[C@@H]21 ZINC001176917351 914392994 /nfs/dbraw/zinc/39/29/94/914392994.db2.gz HFLNBEIBWFQWDR-JKSUJKDBSA-N 1 2 292.423 1.892 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCCC)C[C@@H]21 ZINC001176917351 914393004 /nfs/dbraw/zinc/39/30/04/914393004.db2.gz HFLNBEIBWFQWDR-JKSUJKDBSA-N 1 2 292.423 1.892 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C3CC3)C2)c(F)c1 ZINC001009831823 900679135 /nfs/dbraw/zinc/67/91/35/900679135.db2.gz NHZDLXCOPXOINX-CQSZACIVSA-N 1 2 287.338 1.798 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C3CC3)C2)c(F)c1 ZINC001009831823 900679142 /nfs/dbraw/zinc/67/91/42/900679142.db2.gz NHZDLXCOPXOINX-CQSZACIVSA-N 1 2 287.338 1.798 20 30 CDEDLO C=CCCCC(=O)N1CC[C@H]2OCC[N@@H+](CCCO)[C@@H]2C1 ZINC001177087708 914484829 /nfs/dbraw/zinc/48/48/29/914484829.db2.gz FVBIBUPKHIERMS-HUUCEWRRSA-N 1 2 296.411 1.027 20 30 CDEDLO C=CCCCC(=O)N1CC[C@H]2OCC[N@H+](CCCO)[C@@H]2C1 ZINC001177087708 914484834 /nfs/dbraw/zinc/48/48/34/914484834.db2.gz FVBIBUPKHIERMS-HUUCEWRRSA-N 1 2 296.411 1.027 20 30 CDEDLO Cc1oncc1C[N@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC000980849309 901129360 /nfs/dbraw/zinc/12/93/60/901129360.db2.gz INFAPIFOAHJMEU-LLVKDONJSA-N 1 2 276.340 1.177 20 30 CDEDLO Cc1oncc1C[N@@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC000980849309 901129364 /nfs/dbraw/zinc/12/93/64/901129364.db2.gz INFAPIFOAHJMEU-LLVKDONJSA-N 1 2 276.340 1.177 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001031415330 914617297 /nfs/dbraw/zinc/61/72/97/914617297.db2.gz YJPWMXQJOJMFFK-LBPRGKRZSA-N 1 2 274.339 1.753 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001126365826 902364719 /nfs/dbraw/zinc/36/47/19/902364719.db2.gz NVRHSBDDMGCBMT-HNNXBMFYSA-N 1 2 293.367 1.085 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001031414059 914619103 /nfs/dbraw/zinc/61/91/03/914619103.db2.gz JXWYPQGXSIADOR-NSHDSACASA-N 1 2 292.329 1.892 20 30 CDEDLO C=CC(=O)OC[C@H](COC(=O)C(=C)C)Oc1cc[nH+]cc1 ZINC001225291004 902687780 /nfs/dbraw/zinc/68/77/80/902687780.db2.gz NOEQWCUQSNSFDK-CYBMUJFWSA-N 1 2 291.303 1.678 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCCC[C@@H]2OC)C1 ZINC001031466971 914654854 /nfs/dbraw/zinc/65/48/54/914654854.db2.gz XQTNWAFTZGMCQW-KGLIPLIRSA-N 1 2 266.385 1.568 20 30 CDEDLO CN(CC(=O)NCc1ncc(C#N)s1)c1cccc[nH+]1 ZINC001177416417 914672205 /nfs/dbraw/zinc/67/22/05/914672205.db2.gz BHMTZCKJSWNAQR-UHFFFAOYSA-N 1 2 287.348 1.162 20 30 CDEDLO C#CCOc1ccc(C[NH+]2CCN(C(=O)CC)CC2)cc1 ZINC000092973248 904506509 /nfs/dbraw/zinc/50/65/09/904506509.db2.gz FLPVBPLDTOPSQP-UHFFFAOYSA-N 1 2 286.375 1.753 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000049451060 905172997 /nfs/dbraw/zinc/17/29/97/905172997.db2.gz DDFDOKNTZPJDTP-UHFFFAOYSA-N 1 2 293.348 1.437 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029311926 905397471 /nfs/dbraw/zinc/39/74/71/905397471.db2.gz HVVVTHHOMKRIQF-BARDWOONSA-N 1 2 296.386 1.612 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029311926 905397487 /nfs/dbraw/zinc/39/74/87/905397487.db2.gz HVVVTHHOMKRIQF-BARDWOONSA-N 1 2 296.386 1.612 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(N)=O ZINC001029419646 905847796 /nfs/dbraw/zinc/84/77/96/905847796.db2.gz IGZDTJCOVSZJOA-UPJWGTAASA-N 1 2 293.411 1.138 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(N)=O ZINC001029419646 905847802 /nfs/dbraw/zinc/84/78/02/905847802.db2.gz IGZDTJCOVSZJOA-UPJWGTAASA-N 1 2 293.411 1.138 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001075820030 905857024 /nfs/dbraw/zinc/85/70/24/905857024.db2.gz KZIHXGVZPZMKCS-HBNTYKKESA-N 1 2 294.292 1.996 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001075820030 905857010 /nfs/dbraw/zinc/85/70/10/905857010.db2.gz KZIHXGVZPZMKCS-HBNTYKKESA-N 1 2 294.292 1.996 20 30 CDEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C(C)C)c2C1 ZINC001128214567 921191645 /nfs/dbraw/zinc/19/16/45/921191645.db2.gz YHFVGXNMTYNWSX-UHFFFAOYSA-N 1 2 276.384 1.547 20 30 CDEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C(C)C)c2C1 ZINC001128214567 921191648 /nfs/dbraw/zinc/19/16/48/921191648.db2.gz YHFVGXNMTYNWSX-UHFFFAOYSA-N 1 2 276.384 1.547 20 30 CDEDLO C=CCCCCNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000922023786 921250666 /nfs/dbraw/zinc/25/06/66/921250666.db2.gz BHHMDNRRMVVJIS-CQSZACIVSA-N 1 2 283.416 1.753 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc3c(c2)CCO3)C1 ZINC001043957496 921280700 /nfs/dbraw/zinc/28/07/00/921280700.db2.gz QLOQYRUXPYDKMG-UHFFFAOYSA-N 1 2 286.375 1.954 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCOC2)[C@H]1C ZINC001088486814 907452333 /nfs/dbraw/zinc/45/23/33/907452333.db2.gz CQGQSLPEYRMGSH-AGIUHOORSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCOC2)[C@H]1C ZINC001088486814 907452342 /nfs/dbraw/zinc/45/23/42/907452342.db2.gz CQGQSLPEYRMGSH-AGIUHOORSA-N 1 2 286.803 1.745 20 30 CDEDLO C=CCOCC(=O)N1CC[C@@H]([N@H+](C)Cc2nocc2C)C1 ZINC001189362321 921467603 /nfs/dbraw/zinc/46/76/03/921467603.db2.gz HMRAZKNSCQYZAC-CYBMUJFWSA-N 1 2 293.367 1.218 20 30 CDEDLO C=CCOCC(=O)N1CC[C@@H]([N@@H+](C)Cc2nocc2C)C1 ZINC001189362321 921467607 /nfs/dbraw/zinc/46/76/07/921467607.db2.gz HMRAZKNSCQYZAC-CYBMUJFWSA-N 1 2 293.367 1.218 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2ncc(Cl)s2)[C@H]1C ZINC001088744703 909251422 /nfs/dbraw/zinc/25/14/22/909251422.db2.gz QDEHZHOWGMDTLK-BDAKNGLRSA-N 1 2 283.784 1.622 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2ncc(Cl)s2)[C@H]1C ZINC001088744703 909251431 /nfs/dbraw/zinc/25/14/31/909251431.db2.gz QDEHZHOWGMDTLK-BDAKNGLRSA-N 1 2 283.784 1.622 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccnn2C)C1 ZINC001032945017 921512095 /nfs/dbraw/zinc/51/20/95/921512095.db2.gz MUGXJGBOBCGCEY-LLVKDONJSA-N 1 2 282.775 1.319 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnn2C)C1 ZINC001032945017 921512105 /nfs/dbraw/zinc/51/21/05/921512105.db2.gz MUGXJGBOBCGCEY-LLVKDONJSA-N 1 2 282.775 1.319 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001077184634 910211137 /nfs/dbraw/zinc/21/11/37/910211137.db2.gz OVOHGWJHCJLZDK-ZDUSSCGKSA-N 1 2 292.383 1.250 20 30 CDEDLO N#Cc1cccnc1NCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001094220418 910394687 /nfs/dbraw/zinc/39/46/87/910394687.db2.gz YSQWYHDTWZAZCE-VXGBXAGGSA-N 1 2 296.334 1.008 20 30 CDEDLO N#Cc1cccnc1NCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001094220418 910394698 /nfs/dbraw/zinc/39/46/98/910394698.db2.gz YSQWYHDTWZAZCE-VXGBXAGGSA-N 1 2 296.334 1.008 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccn(C)c(=O)c1 ZINC001409575981 910519064 /nfs/dbraw/zinc/51/90/64/910519064.db2.gz CUICVEYXAVSAFM-LLVKDONJSA-N 1 2 297.786 1.188 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccn(C)c(=O)c1 ZINC001409575981 910519072 /nfs/dbraw/zinc/51/90/72/910519072.db2.gz CUICVEYXAVSAFM-LLVKDONJSA-N 1 2 297.786 1.188 20 30 CDEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H](C)CCOCC)C(=O)OCC ZINC001172418085 911646506 /nfs/dbraw/zinc/64/65/06/911646506.db2.gz BGMJYSZPFYNTTM-OUCADQQQSA-N 1 2 255.358 1.899 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnc(CC(C)C)[nH]2)C1 ZINC001030309589 911669314 /nfs/dbraw/zinc/66/93/14/911669314.db2.gz MNFLUNHCBAUAJJ-UHFFFAOYSA-N 1 2 274.368 1.046 20 30 CDEDLO C[C@@H](CCCC#N)[NH2+][C@@H](CO)C(=O)OC(C)(C)C ZINC001172485114 911687773 /nfs/dbraw/zinc/68/77/73/911687773.db2.gz MAUCZDVACMGXKS-QWRGUYRKSA-N 1 2 256.346 1.361 20 30 CDEDLO Cc1nc(C#N)c(Nc2ccc(C[NH+]3CC(O)C3)cc2)o1 ZINC001212666636 911746219 /nfs/dbraw/zinc/74/62/19/911746219.db2.gz YDMZSGNKGUOIPN-UHFFFAOYSA-N 1 2 284.319 1.775 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)c(F)cc2F)C1 ZINC001030504678 911949135 /nfs/dbraw/zinc/94/91/35/911949135.db2.gz VDFQITYEDVPKEU-UHFFFAOYSA-N 1 2 278.302 1.711 20 30 CDEDLO C#CC[C@H]([NH2+]C1CCC(OCCC)CC1)C(=O)OC ZINC001173094736 912152365 /nfs/dbraw/zinc/15/23/65/912152365.db2.gz RZXDQZLQDUXTHG-RUXDESIVSA-N 1 2 267.369 1.879 20 30 CDEDLO C[C@H](C(=O)N(CCC#N)Cc1cccnc1)n1cc[nH+]c1 ZINC001177923393 915039654 /nfs/dbraw/zinc/03/96/54/915039654.db2.gz YTTXQSWZHYGCAW-CYBMUJFWSA-N 1 2 283.335 1.782 20 30 CDEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1nccn1C ZINC001272678316 915081365 /nfs/dbraw/zinc/08/13/65/915081365.db2.gz LBHYZSULYVLCRO-INIZCTEOSA-N 1 2 286.379 1.010 20 30 CDEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1nccn1C ZINC001272678316 915081385 /nfs/dbraw/zinc/08/13/85/915081385.db2.gz LBHYZSULYVLCRO-INIZCTEOSA-N 1 2 286.379 1.010 20 30 CDEDLO O=C(NC1=CC(=O)CCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178117714 915182112 /nfs/dbraw/zinc/18/21/12/915182112.db2.gz FGGFNCQBZYYVDZ-SNVBAGLBSA-N 1 2 259.309 1.199 20 30 CDEDLO O=C(/C=C/NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(F)(F)F ZINC001178119340 915185517 /nfs/dbraw/zinc/18/55/17/915185517.db2.gz PDIMJOJDGFCDEZ-RTMURIBGSA-N 1 2 287.241 1.207 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)[C@@H](C)CCC)C1 ZINC000885512221 930730379 /nfs/dbraw/zinc/73/03/79/930730379.db2.gz UIEJXOPTCRXGTE-QWHCGFSZSA-N 1 2 272.414 1.192 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)[C@@H](C)CCC)C1 ZINC000885512221 930730383 /nfs/dbraw/zinc/73/03/83/930730383.db2.gz UIEJXOPTCRXGTE-QWHCGFSZSA-N 1 2 272.414 1.192 20 30 CDEDLO Cc1cc(N[C@H](C)CNC(=O)[C@@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001097732086 936358431 /nfs/dbraw/zinc/35/84/31/936358431.db2.gz JSVNRXZNISCRHL-CMPLNLGQSA-N 1 2 289.383 1.985 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)Cc1cc[nH+]c(N)c1 ZINC001181263406 916949354 /nfs/dbraw/zinc/94/93/54/916949354.db2.gz LFOFXGDSBRZTDQ-UHFFFAOYSA-N 1 2 282.303 1.725 20 30 CDEDLO N#CC1(CC(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001181380884 917037461 /nfs/dbraw/zinc/03/74/61/917037461.db2.gz ITKXBYLLBRUZNH-CYBMUJFWSA-N 1 2 290.367 1.293 20 30 CDEDLO N#CC1(CC(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001181380884 917037480 /nfs/dbraw/zinc/03/74/80/917037480.db2.gz ITKXBYLLBRUZNH-CYBMUJFWSA-N 1 2 290.367 1.293 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1(F)CCCC1)CCO2 ZINC001053322163 936412095 /nfs/dbraw/zinc/41/20/95/936412095.db2.gz UMJGBCLEZKQEHK-UHFFFAOYSA-N 1 2 296.386 1.758 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(F)c[nH]1)CO2 ZINC001053873329 936422567 /nfs/dbraw/zinc/42/25/67/936422567.db2.gz WMIICINSCSUPND-LBPRGKRZSA-N 1 2 293.342 1.303 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC=CCC1)CO2 ZINC001053735582 936419813 /nfs/dbraw/zinc/41/98/13/936419813.db2.gz IKQNIXIUUXSBIA-CABCVRRESA-N 1 2 288.391 1.326 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1(C3CC3)CC1)CO2 ZINC001053842783 936421193 /nfs/dbraw/zinc/42/11/93/936421193.db2.gz VRLOOJQWKKLHCJ-CQSZACIVSA-N 1 2 290.407 1.712 20 30 CDEDLO C=CCN1CC[NH+](Cc2ccccc2NC(C)=O)CC1 ZINC001237413043 917415663 /nfs/dbraw/zinc/41/56/63/917415663.db2.gz XKKHKYSGADIRKD-UHFFFAOYSA-N 1 2 273.380 1.949 20 30 CDEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1nnccc1C#N ZINC001181992611 917537153 /nfs/dbraw/zinc/53/71/53/917537153.db2.gz ILALQUXIDGWCGJ-LLVKDONJSA-N 1 2 259.313 1.161 20 30 CDEDLO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1nnccc1C#N ZINC001181992611 917537162 /nfs/dbraw/zinc/53/71/62/917537162.db2.gz ILALQUXIDGWCGJ-LLVKDONJSA-N 1 2 259.313 1.161 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3C)cc2C1 ZINC001054253657 936433580 /nfs/dbraw/zinc/43/35/80/936433580.db2.gz GLBOSSWVWNZGAI-MLGOLLRUSA-N 1 2 268.360 1.908 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3C)cc2C1 ZINC001054253657 936433581 /nfs/dbraw/zinc/43/35/81/936433581.db2.gz GLBOSSWVWNZGAI-MLGOLLRUSA-N 1 2 268.360 1.908 20 30 CDEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCN(C3CCCC3)C(=O)C2)C1 ZINC001254669790 936440813 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C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3n[nH]cc32)C1 ZINC001033315873 922150767 /nfs/dbraw/zinc/15/07/67/922150767.db2.gz NBYUDOOQVIQGKO-GFCCVEGCSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC(C)(C)C)C[C@H]21 ZINC001074166119 936734512 /nfs/dbraw/zinc/73/45/12/936734512.db2.gz BGKRLQXPFLULRN-HUUCEWRRSA-N 1 2 292.423 1.748 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC(C)(C)C)C[C@H]21 ZINC001074166119 936734514 /nfs/dbraw/zinc/73/45/14/936734514.db2.gz BGKRLQXPFLULRN-HUUCEWRRSA-N 1 2 292.423 1.748 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2c[nH]c(=O)n2C)C1 ZINC001033332664 922168773 /nfs/dbraw/zinc/16/87/73/922168773.db2.gz OHHIGNJWAHIQGF-JTQLQIEISA-N 1 2 298.774 1.025 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]c(=O)n2C)C1 ZINC001033332664 922168779 /nfs/dbraw/zinc/16/87/79/922168779.db2.gz OHHIGNJWAHIQGF-JTQLQIEISA-N 1 2 298.774 1.025 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001033440504 922210994 /nfs/dbraw/zinc/21/09/94/922210994.db2.gz QFYRNVPOTRVECE-SYQHCUMBSA-N 1 2 298.814 1.839 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001033440504 922211006 /nfs/dbraw/zinc/21/10/06/922211006.db2.gz QFYRNVPOTRVECE-SYQHCUMBSA-N 1 2 298.814 1.839 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2scnc2C2CC2)C1 ZINC001033486608 922232061 /nfs/dbraw/zinc/23/20/61/922232061.db2.gz OMXWPEYAYUDTSM-GFCCVEGCSA-N 1 2 289.404 1.800 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2scnc2C2CC2)C1 ZINC001033486608 922232072 /nfs/dbraw/zinc/23/20/72/922232072.db2.gz OMXWPEYAYUDTSM-GFCCVEGCSA-N 1 2 289.404 1.800 20 30 CDEDLO C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)Nc1ncccc1C#N ZINC001098344876 936749258 /nfs/dbraw/zinc/74/92/58/936749258.db2.gz XRLLMEGXKHYWPS-LLVKDONJSA-N 1 2 298.350 1.226 20 30 CDEDLO C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)Nc1ncccc1C#N ZINC001098344876 936749260 /nfs/dbraw/zinc/74/92/60/936749260.db2.gz XRLLMEGXKHYWPS-LLVKDONJSA-N 1 2 298.350 1.226 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2snnc2CC)C1 ZINC001033893249 922407396 /nfs/dbraw/zinc/40/73/96/922407396.db2.gz ONJXJYNGNTVBFA-LLVKDONJSA-N 1 2 292.408 1.270 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2snnc2CC)C1 ZINC001033893249 922407405 /nfs/dbraw/zinc/40/74/05/922407405.db2.gz ONJXJYNGNTVBFA-LLVKDONJSA-N 1 2 292.408 1.270 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc[nH]c2C)[C@@H](O)C1 ZINC001090172578 922439106 /nfs/dbraw/zinc/43/91/06/922439106.db2.gz AVBTUJLUORUXTB-STQMWFEESA-N 1 2 297.786 1.241 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c2C)[C@@H](O)C1 ZINC001090172578 922439115 /nfs/dbraw/zinc/43/91/15/922439115.db2.gz AVBTUJLUORUXTB-STQMWFEESA-N 1 2 297.786 1.241 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c1Cl ZINC001140808281 936760268 /nfs/dbraw/zinc/76/02/68/936760268.db2.gz OTDRQUMGQABTTM-AWEZNQCLSA-N 1 2 291.782 1.728 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCN3CCOC[C@@H]3C2)c1Cl ZINC001140808281 936760269 /nfs/dbraw/zinc/76/02/69/936760269.db2.gz OTDRQUMGQABTTM-AWEZNQCLSA-N 1 2 291.782 1.728 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NC[C@]1(C)C[N@H+](CC#CC)CCO1 ZINC001108114858 922485193 /nfs/dbraw/zinc/48/51/93/922485193.db2.gz IHGQJQQSSMEXFW-QGZVFWFLSA-N 1 2 292.423 1.819 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NC[C@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001108114858 922485203 /nfs/dbraw/zinc/48/52/03/922485203.db2.gz IHGQJQQSSMEXFW-QGZVFWFLSA-N 1 2 292.423 1.819 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c(F)cc(OC)cc2F)CC1 ZINC001140827459 936761640 /nfs/dbraw/zinc/76/16/40/936761640.db2.gz AYHFTHIFPNGUAG-UHFFFAOYSA-N 1 2 280.318 1.724 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C2=COCCC2)C1 ZINC001035306792 922961972 /nfs/dbraw/zinc/96/19/72/922961972.db2.gz BQJQJZMERREDBP-CQSZACIVSA-N 1 2 280.368 1.074 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C2=COCCC2)C1 ZINC001035306792 922961990 /nfs/dbraw/zinc/96/19/90/922961990.db2.gz BQJQJZMERREDBP-CQSZACIVSA-N 1 2 280.368 1.074 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2oc(C)cc2C)C1 ZINC001035325923 922970506 /nfs/dbraw/zinc/97/05/06/922970506.db2.gz KDMQIADBKXBQAU-CQSZACIVSA-N 1 2 292.379 1.903 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2oc(C)cc2C)C1 ZINC001035325923 922970512 /nfs/dbraw/zinc/97/05/12/922970512.db2.gz KDMQIADBKXBQAU-CQSZACIVSA-N 1 2 292.379 1.903 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2occc2CC)C1 ZINC001035503912 922993278 /nfs/dbraw/zinc/99/32/78/922993278.db2.gz XPADGDGDFRIKOS-CQSZACIVSA-N 1 2 290.363 1.296 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2occc2CC)C1 ZINC001035503912 922993289 /nfs/dbraw/zinc/99/32/89/922993289.db2.gz XPADGDGDFRIKOS-CQSZACIVSA-N 1 2 290.363 1.296 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2CCC(OC)CC2)C1 ZINC001035497516 922998805 /nfs/dbraw/zinc/99/88/05/922998805.db2.gz SYODSGJYAKGBFU-NRXISQOPSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C2CCC(OC)CC2)C1 ZINC001035497516 922998818 /nfs/dbraw/zinc/99/88/18/922998818.db2.gz SYODSGJYAKGBFU-NRXISQOPSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)cc(F)c2)C1 ZINC001035524469 923003697 /nfs/dbraw/zinc/00/36/97/923003697.db2.gz RTHBZMOGXIJWST-OAHLLOKOSA-N 1 2 292.354 1.751 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(C)cc(F)c2)C1 ZINC001035524469 923003711 /nfs/dbraw/zinc/00/37/11/923003711.db2.gz RTHBZMOGXIJWST-OAHLLOKOSA-N 1 2 292.354 1.751 20 30 CDEDLO C=CC[NH+]1CC2(C1)CCN(C(=O)C(F)C(F)(F)F)CC2 ZINC001035709650 923034324 /nfs/dbraw/zinc/03/43/24/923034324.db2.gz IURPTZFEXKCNFW-JTQLQIEISA-N 1 2 294.292 1.997 20 30 CDEDLO C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H](F)C(F)(F)F)CC2 ZINC001035709650 923034340 /nfs/dbraw/zinc/03/43/40/923034340.db2.gz IURPTZFEXKCNFW-JTQLQIEISA-N 1 2 294.292 1.997 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2ccon2)C1 ZINC001194397252 924202819 /nfs/dbraw/zinc/20/28/19/924202819.db2.gz RKACOBZIVZROER-JSGCOSHPSA-N 1 2 293.367 1.298 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccon2)C1 ZINC001194397252 924202835 /nfs/dbraw/zinc/20/28/35/924202835.db2.gz RKACOBZIVZROER-JSGCOSHPSA-N 1 2 293.367 1.298 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC001080675795 924618714 /nfs/dbraw/zinc/61/87/14/924618714.db2.gz FNRPXIQXJUILLJ-MPKXVKKWSA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC001080675795 924618717 /nfs/dbraw/zinc/61/87/17/924618717.db2.gz FNRPXIQXJUILLJ-MPKXVKKWSA-N 1 2 286.803 1.602 20 30 CDEDLO COCC#CCO[NH+]=C(N)Cc1ccc(OC)cc1 ZINC000775681757 924783850 /nfs/dbraw/zinc/78/38/50/924783850.db2.gz STSIXOIJSWQYTG-UHFFFAOYSA-N 1 2 262.309 1.386 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N1CCC[N@H+](CCF)CC1)OCC ZINC001196025422 924790690 /nfs/dbraw/zinc/79/06/90/924790690.db2.gz PLLHYBJXXLLFGQ-CQSZACIVSA-N 1 2 286.391 1.862 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N1CCC[N@@H+](CCF)CC1)OCC ZINC001196025422 924790694 /nfs/dbraw/zinc/79/06/94/924790694.db2.gz PLLHYBJXXLLFGQ-CQSZACIVSA-N 1 2 286.391 1.862 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C)CCC(C)CC2)[C@H](OC)C1 ZINC001082390918 924913331 /nfs/dbraw/zinc/91/33/31/924913331.db2.gz KYAMSSTZAWSQMT-GYMHETDLSA-N 1 2 292.423 1.651 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C)CCC(C)CC2)[C@H](OC)C1 ZINC001082390918 924913342 /nfs/dbraw/zinc/91/33/42/924913342.db2.gz KYAMSSTZAWSQMT-GYMHETDLSA-N 1 2 292.423 1.651 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2occc2Cl)C1 ZINC001108193084 925035261 /nfs/dbraw/zinc/03/52/61/925035261.db2.gz XXGRGOMADHUERG-CQSZACIVSA-N 1 2 298.770 1.940 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2occc2Cl)C1 ZINC001108193084 925035270 /nfs/dbraw/zinc/03/52/70/925035270.db2.gz XXGRGOMADHUERG-CQSZACIVSA-N 1 2 298.770 1.940 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C3CCCCCC3)[C@H]2C1 ZINC001083022562 925077248 /nfs/dbraw/zinc/07/72/48/925077248.db2.gz OADVSLAZEOWESF-JKSUJKDBSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CCCCCC3)[C@H]2C1 ZINC001083022562 925077256 /nfs/dbraw/zinc/07/72/56/925077256.db2.gz OADVSLAZEOWESF-JKSUJKDBSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cscn1 ZINC001273215939 925216515 /nfs/dbraw/zinc/21/65/15/925216515.db2.gz PDPBZIVEWSUKHZ-CHWSQXEVSA-N 1 2 275.377 1.342 20 30 CDEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cscn1 ZINC001273215939 925216518 /nfs/dbraw/zinc/21/65/18/925216518.db2.gz PDPBZIVEWSUKHZ-CHWSQXEVSA-N 1 2 275.377 1.342 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1cc(C(=O)OC)co1)[C@@H]1CCCO1 ZINC000775789692 925238701 /nfs/dbraw/zinc/23/87/01/925238701.db2.gz MYKVLEJYLZQTNR-OLZOCXBDSA-N 1 2 263.293 1.337 20 30 CDEDLO C#CCCCC(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101585236 936991619 /nfs/dbraw/zinc/99/16/19/936991619.db2.gz WTNDBCIXWOWVSM-UHFFFAOYSA-N 1 2 260.341 1.459 20 30 CDEDLO C=C(Cl)CN1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001084866022 925465018 /nfs/dbraw/zinc/46/50/18/925465018.db2.gz PKWWLQNABSPAFT-CHWSQXEVSA-N 1 2 294.786 1.168 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC=C)c2ccccc2)C1 ZINC001198896692 925559754 /nfs/dbraw/zinc/55/97/54/925559754.db2.gz LTVYOSYWPZSSTJ-BRWVUGGUSA-N 1 2 298.386 1.141 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC=C)c2ccccc2)C1 ZINC001198896692 925559758 /nfs/dbraw/zinc/55/97/58/925559758.db2.gz LTVYOSYWPZSSTJ-BRWVUGGUSA-N 1 2 298.386 1.141 20 30 CDEDLO C#CCOC[C@@H](O)CNc1cccc(Cn2cc[nH+]c2)c1 ZINC001251864181 925606048 /nfs/dbraw/zinc/60/60/48/925606048.db2.gz WVHAWIDHZKZXHP-INIZCTEOSA-N 1 2 285.347 1.354 20 30 CDEDLO C#CCOC[C@H](O)CNc1ccc2ccc[nH+]c2c1 ZINC001251860911 925611991 /nfs/dbraw/zinc/61/19/91/925611991.db2.gz WVBLOPFXXLJAJC-CQSZACIVSA-N 1 2 256.305 1.657 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(CC(C)C)CC(C)C)C1 ZINC001199200821 925634547 /nfs/dbraw/zinc/63/45/47/925634547.db2.gz BKSKQRCUIHESKC-HZPDHXFCSA-N 1 2 294.439 1.489 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(CC(C)C)CC(C)C)C1 ZINC001199200821 925634550 /nfs/dbraw/zinc/63/45/50/925634550.db2.gz BKSKQRCUIHESKC-HZPDHXFCSA-N 1 2 294.439 1.489 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cncc(OC(F)F)c2)CC1 ZINC001199298925 925672550 /nfs/dbraw/zinc/67/25/50/925672550.db2.gz ASAJJUPXEAJIAC-UHFFFAOYSA-N 1 2 297.305 1.627 20 30 CDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1nnc(C)o1 ZINC001273792149 925898228 /nfs/dbraw/zinc/89/82/28/925898228.db2.gz JVYJCYNZVXLDIC-HNNXBMFYSA-N 1 2 290.367 1.521 20 30 CDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1nnc(C)o1 ZINC001273792149 925898236 /nfs/dbraw/zinc/89/82/36/925898236.db2.gz JVYJCYNZVXLDIC-HNNXBMFYSA-N 1 2 290.367 1.521 20 30 CDEDLO CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001085445325 925972776 /nfs/dbraw/zinc/97/27/76/925972776.db2.gz CJNIMMNYWZKULG-AWEZNQCLSA-N 1 2 275.327 1.750 20 30 CDEDLO CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001085445325 925972783 /nfs/dbraw/zinc/97/27/83/925972783.db2.gz CJNIMMNYWZKULG-AWEZNQCLSA-N 1 2 275.327 1.750 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C(F)F)nc1 ZINC001085633461 926237820 /nfs/dbraw/zinc/23/78/20/926237820.db2.gz SUHSEXDQRGGOCD-GFCCVEGCSA-N 1 2 293.317 1.799 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C(F)F)nc1 ZINC001085633461 926237826 /nfs/dbraw/zinc/23/78/26/926237826.db2.gz SUHSEXDQRGGOCD-GFCCVEGCSA-N 1 2 293.317 1.799 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(F)F)ncn1 ZINC001085669665 926261702 /nfs/dbraw/zinc/26/17/02/926261702.db2.gz DYURDQGQUIIREE-SNVBAGLBSA-N 1 2 294.305 1.194 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(F)F)ncn1 ZINC001085669665 926261714 /nfs/dbraw/zinc/26/17/14/926261714.db2.gz DYURDQGQUIIREE-SNVBAGLBSA-N 1 2 294.305 1.194 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c(c1)ncn2C ZINC001085682475 926277044 /nfs/dbraw/zinc/27/70/44/926277044.db2.gz UYRMNXRSVGHKGQ-AWEZNQCLSA-N 1 2 296.374 1.353 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c(c1)ncn2C ZINC001085682475 926277051 /nfs/dbraw/zinc/27/70/51/926277051.db2.gz UYRMNXRSVGHKGQ-AWEZNQCLSA-N 1 2 296.374 1.353 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2ccnc2c1 ZINC001085720294 926322570 /nfs/dbraw/zinc/32/25/70/926322570.db2.gz QPOHSICABYVHCF-CQSZACIVSA-N 1 2 282.347 1.114 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2ccnc2c1 ZINC001085720294 926322572 /nfs/dbraw/zinc/32/25/72/926322572.db2.gz QPOHSICABYVHCF-CQSZACIVSA-N 1 2 282.347 1.114 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(F)c(F)c1F ZINC001085792249 926396625 /nfs/dbraw/zinc/39/66/25/926396625.db2.gz FCJKERSOJYWVGU-SNVBAGLBSA-N 1 2 296.292 1.883 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(F)c(F)c1F ZINC001085792249 926396630 /nfs/dbraw/zinc/39/66/30/926396630.db2.gz FCJKERSOJYWVGU-SNVBAGLBSA-N 1 2 296.292 1.883 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1sc(C)cc1OC ZINC001085854739 926456951 /nfs/dbraw/zinc/45/69/51/926456951.db2.gz GPHKERDRSHSVEY-LBPRGKRZSA-N 1 2 292.404 1.845 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1sc(C)cc1OC ZINC001085854739 926456956 /nfs/dbraw/zinc/45/69/56/926456956.db2.gz GPHKERDRSHSVEY-LBPRGKRZSA-N 1 2 292.404 1.845 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2ccccc2O1 ZINC001085877119 926470735 /nfs/dbraw/zinc/47/07/35/926470735.db2.gz SLACKUJYUBBXFG-NVXWUHKLSA-N 1 2 298.386 1.546 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2ccccc2O1 ZINC001085877119 926470740 /nfs/dbraw/zinc/47/07/40/926470740.db2.gz SLACKUJYUBBXFG-NVXWUHKLSA-N 1 2 298.386 1.546 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(OC)o1 ZINC001085890961 926481856 /nfs/dbraw/zinc/48/18/56/926481856.db2.gz MSBJJOKQUYJKGD-NSHDSACASA-N 1 2 262.309 1.068 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(OC)o1 ZINC001085890961 926481862 /nfs/dbraw/zinc/48/18/62/926481862.db2.gz MSBJJOKQUYJKGD-NSHDSACASA-N 1 2 262.309 1.068 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1oc(CCC)nc1C ZINC001085925971 926509720 /nfs/dbraw/zinc/50/97/20/926509720.db2.gz KMCBCHPGWOSUMV-CYBMUJFWSA-N 1 2 289.379 1.715 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1oc(CCC)nc1C ZINC001085925971 926509729 /nfs/dbraw/zinc/50/97/29/926509729.db2.gz KMCBCHPGWOSUMV-CYBMUJFWSA-N 1 2 289.379 1.715 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)CC=C)C1 ZINC001108246583 926770418 /nfs/dbraw/zinc/77/04/18/926770418.db2.gz QJENUJKFXAUCOL-MRXNPFEDSA-N 1 2 280.412 1.982 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)CC=C)C1 ZINC001108246583 926770427 /nfs/dbraw/zinc/77/04/27/926770427.db2.gz QJENUJKFXAUCOL-MRXNPFEDSA-N 1 2 280.412 1.982 20 30 CDEDLO C[C@@]1(CO)CC[N@H+](Cc2c(F)ccc(C#N)c2F)C[C@H]1O ZINC001143164807 937127118 /nfs/dbraw/zinc/12/71/18/937127118.db2.gz OQHNBDDELZTRPZ-HIFRSBDPSA-N 1 2 296.317 1.402 20 30 CDEDLO C[C@@]1(CO)CC[N@@H+](Cc2c(F)ccc(C#N)c2F)C[C@H]1O ZINC001143164807 937127120 /nfs/dbraw/zinc/12/71/20/937127120.db2.gz OQHNBDDELZTRPZ-HIFRSBDPSA-N 1 2 296.317 1.402 20 30 CDEDLO C[C@H]1C[N@H+](Cc2c(F)ccc(C#N)c2F)C[C@@H]1O ZINC001143164487 937127171 /nfs/dbraw/zinc/12/71/71/937127171.db2.gz JOXUNCXGAAAMSI-UFBFGSQYSA-N 1 2 252.264 1.649 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2c(F)ccc(C#N)c2F)C[C@@H]1O ZINC001143164487 937127172 /nfs/dbraw/zinc/12/71/72/937127172.db2.gz JOXUNCXGAAAMSI-UFBFGSQYSA-N 1 2 252.264 1.649 20 30 CDEDLO C#CCOCC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1C ZINC000851936740 927668336 /nfs/dbraw/zinc/66/83/36/927668336.db2.gz VNTOTESRKURXBK-HNNXBMFYSA-N 1 2 272.348 1.118 20 30 CDEDLO C#CCOCC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1C ZINC000851936740 927668340 /nfs/dbraw/zinc/66/83/40/927668340.db2.gz VNTOTESRKURXBK-HNNXBMFYSA-N 1 2 272.348 1.118 20 30 CDEDLO Cn1cc(N[NH+]=Cc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000853338678 928004628 /nfs/dbraw/zinc/00/46/28/928004628.db2.gz CUHUHPNDANJYGZ-UHFFFAOYSA-N 1 2 299.378 1.827 20 30 CDEDLO Cc1ccc(C#N)c(NC[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001108485736 928050927 /nfs/dbraw/zinc/05/09/27/928050927.db2.gz IPGKRZNRZPMWBT-NSHDSACASA-N 1 2 298.350 1.144 20 30 CDEDLO C=C1CCC(C(=O)OCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000885650199 928132777 /nfs/dbraw/zinc/13/27/77/928132777.db2.gz ZHMYDMOVZLBVKI-ZDUSSCGKSA-N 1 2 267.369 1.997 20 30 CDEDLO C=C1CCC(C(=O)OCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000885650199 928132786 /nfs/dbraw/zinc/13/27/86/928132786.db2.gz ZHMYDMOVZLBVKI-ZDUSSCGKSA-N 1 2 267.369 1.997 20 30 CDEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CCC(C)C)CC2=O)C1 ZINC001108507597 928184398 /nfs/dbraw/zinc/18/43/98/928184398.db2.gz OIBZSHOQBSTJFG-ZDUSSCGKSA-N 1 2 293.411 1.010 20 30 CDEDLO N#CCc1ccccc1CC(=O)NCCn1cc[nH+]c1 ZINC000776747624 928226093 /nfs/dbraw/zinc/22/60/93/928226093.db2.gz HMXBHGZGTXSELB-UHFFFAOYSA-N 1 2 268.320 1.308 20 30 CDEDLO Cc1cnc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C)C#N)C3)cn1 ZINC001109088634 928791387 /nfs/dbraw/zinc/79/13/87/928791387.db2.gz QRTMREMAEPWFGA-PUPMMZHASA-N 1 2 299.378 1.166 20 30 CDEDLO Cc1cnc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C)C#N)C3)cn1 ZINC001109088634 928791393 /nfs/dbraw/zinc/79/13/93/928791393.db2.gz QRTMREMAEPWFGA-PUPMMZHASA-N 1 2 299.378 1.166 20 30 CDEDLO O=C(CC#Cc1ccccc1)NCC[NH2+]Cc1ncccn1 ZINC001151952879 937321890 /nfs/dbraw/zinc/32/18/90/937321890.db2.gz KQUYWBXNUQKJRN-UHFFFAOYSA-N 1 2 294.358 1.124 20 30 CDEDLO C#Cc1cncc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000798301171 937353192 /nfs/dbraw/zinc/35/31/92/937353192.db2.gz QTEDKIAZRZKNGG-HNNXBMFYSA-N 1 2 292.342 1.467 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001134410154 929735131 /nfs/dbraw/zinc/73/51/31/929735131.db2.gz FVSZPPGEHHQWDS-UHFFFAOYSA-N 1 2 266.345 1.186 20 30 CDEDLO CCC(=[NH+]NC(=S)NCCCOC)c1cccc(N)c1 ZINC000814734107 929816696 /nfs/dbraw/zinc/81/66/96/929816696.db2.gz CHNQDPCOWANPRC-UHFFFAOYSA-N 1 2 294.424 1.884 20 30 CDEDLO C#CCC[C@@H](O)CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000799073129 937374898 /nfs/dbraw/zinc/37/48/98/937374898.db2.gz BMVOPHFEMZCMSV-MRXNPFEDSA-N 1 2 297.358 1.436 20 30 CDEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1CCCOCC1)C(=O)OCC ZINC001170791717 930050613 /nfs/dbraw/zinc/05/06/13/930050613.db2.gz CNNZAENKFYCDNU-YRGRVCCFSA-N 1 2 253.342 1.653 20 30 CDEDLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1C#N ZINC000882766032 930073777 /nfs/dbraw/zinc/07/37/77/930073777.db2.gz SIYQKEWTSFBBNG-GFCCVEGCSA-N 1 2 297.355 1.070 20 30 CDEDLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1C#N ZINC000882766032 930073784 /nfs/dbraw/zinc/07/37/84/930073784.db2.gz SIYQKEWTSFBBNG-GFCCVEGCSA-N 1 2 297.355 1.070 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(Cl)cc1 ZINC000884043866 930408995 /nfs/dbraw/zinc/40/89/95/930408995.db2.gz MNZAIERJQZYJIG-LBPRGKRZSA-N 1 2 296.754 1.403 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCC[C@@H](C)CC1 ZINC000884313496 930521189 /nfs/dbraw/zinc/52/11/89/930521189.db2.gz GVVKYEWXKDCGPW-AGIUHOORSA-N 1 2 282.384 1.518 20 30 CDEDLO Oc1ccc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)c(F)c1F ZINC000884442766 930567171 /nfs/dbraw/zinc/56/71/71/930567171.db2.gz PUBLXMWVXZKERT-AOOOYVTPSA-N 1 2 294.305 1.864 20 30 CDEDLO N#Cc1ccc([C@H](O)C[NH2+]Cc2nc(C3CC3)no2)cc1 ZINC000818965839 930738946 /nfs/dbraw/zinc/73/89/46/930738946.db2.gz KSGSDZVKKLNEJV-CYBMUJFWSA-N 1 2 284.319 1.642 20 30 CDEDLO C[N@@H+](Cc1nnc2n1CCC2)C[C@H](O)CC1(C#N)CCC1 ZINC000886037103 930791578 /nfs/dbraw/zinc/79/15/78/930791578.db2.gz FDSGVRXJGWONIA-GFCCVEGCSA-N 1 2 289.383 1.101 20 30 CDEDLO C[N@H+](Cc1nnc2n1CCC2)C[C@H](O)CC1(C#N)CCC1 ZINC000886037103 930791581 /nfs/dbraw/zinc/79/15/81/930791581.db2.gz FDSGVRXJGWONIA-GFCCVEGCSA-N 1 2 289.383 1.101 20 30 CDEDLO C[C@H]1CC(=O)CC[C@@H]1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001116476145 937450736 /nfs/dbraw/zinc/45/07/36/937450736.db2.gz UJPHKEKHHANLMR-AAEUAGOBSA-N 1 2 277.368 1.096 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccn3cc(C)nc23)CC1 ZINC001153594505 937455333 /nfs/dbraw/zinc/45/53/33/937455333.db2.gz PHFBWJUFQSZDER-UHFFFAOYSA-N 1 2 284.363 1.587 20 30 CDEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2cc(C)nn2C)CC1 ZINC000886759355 930955259 /nfs/dbraw/zinc/95/52/59/930955259.db2.gz CXPYSEQQNGLMIK-UHFFFAOYSA-N 1 2 292.383 1.070 20 30 CDEDLO C=CC[C@H]([NH2+]C1CCN(C(=O)CC)CC1)C(=O)OCC ZINC001116790315 937472682 /nfs/dbraw/zinc/47/26/82/937472682.db2.gz SLTLNDMJTNRRQR-ZDUSSCGKSA-N 1 2 282.384 1.485 20 30 CDEDLO CC(C)=CCN1C(=O)COCC12C[NH+](CCCC#N)C2 ZINC001274038358 931137794 /nfs/dbraw/zinc/13/77/94/931137794.db2.gz ITLSHEMDSQZOAI-UHFFFAOYSA-N 1 2 277.368 1.170 20 30 CDEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cnc[nH]1)C2 ZINC001136869912 931428701 /nfs/dbraw/zinc/42/87/01/931428701.db2.gz BQCUCJUWSPZQMT-LSDHHAIUSA-N 1 2 277.368 1.736 20 30 CDEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cnc[nH]1)C2 ZINC001136869912 931428707 /nfs/dbraw/zinc/42/87/07/931428707.db2.gz BQCUCJUWSPZQMT-LSDHHAIUSA-N 1 2 277.368 1.736 20 30 CDEDLO CN1CC[C@]2(CCC[N@@H+]2Cc2cc(C#N)ccn2)C1=O ZINC001274579394 931511453 /nfs/dbraw/zinc/51/14/53/931511453.db2.gz LVFUSMIBRBHJDU-OAHLLOKOSA-N 1 2 270.336 1.150 20 30 CDEDLO CN1CC[C@]2(CCC[N@H+]2Cc2cc(C#N)ccn2)C1=O ZINC001274579394 931511455 /nfs/dbraw/zinc/51/14/55/931511455.db2.gz LVFUSMIBRBHJDU-OAHLLOKOSA-N 1 2 270.336 1.150 20 30 CDEDLO C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C(F)C(F)(F)F ZINC001275004337 931630510 /nfs/dbraw/zinc/63/05/10/931630510.db2.gz VXWWXPYAOPGILW-VHSXEESVSA-N 1 2 280.265 1.491 20 30 CDEDLO C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](F)C(F)(F)F ZINC001275004337 931630512 /nfs/dbraw/zinc/63/05/12/931630512.db2.gz VXWWXPYAOPGILW-VHSXEESVSA-N 1 2 280.265 1.491 20 30 CDEDLO N#Cc1ccc(CN2CCc3[nH+]ccn3CC2)nc1 ZINC001144163583 931669578 /nfs/dbraw/zinc/66/95/78/931669578.db2.gz LGEFFIUUJRWUJC-UHFFFAOYSA-N 1 2 253.309 1.208 20 30 CDEDLO C=C(C)CONC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000845601812 931867974 /nfs/dbraw/zinc/86/79/74/931867974.db2.gz OXHBBGXVMVTKNZ-STQMWFEESA-N 1 2 278.356 1.983 20 30 CDEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC(=O)NC[C@H]1C ZINC001171224489 932035027 /nfs/dbraw/zinc/03/50/27/932035027.db2.gz SIVHSUWXLSZGJG-NWDGAFQWSA-N 1 2 257.337 1.310 20 30 CDEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC(=O)NC[C@H]1C ZINC001171224489 932035035 /nfs/dbraw/zinc/03/50/35/932035035.db2.gz SIVHSUWXLSZGJG-NWDGAFQWSA-N 1 2 257.337 1.310 20 30 CDEDLO C#CCOc1ccc(CNC(=O)[C@@H](C)n2cc[nH+]c2)cc1 ZINC001117851106 937561273 /nfs/dbraw/zinc/56/12/73/937561273.db2.gz VVMUKJZZEQWQCA-CYBMUJFWSA-N 1 2 283.331 1.773 20 30 CDEDLO C=C[C@@H](C)ONC(=O)CSCC[NH+](CC)CC ZINC000846547597 932062355 /nfs/dbraw/zinc/06/23/55/932062355.db2.gz PJHRFALNYJRHQU-LLVKDONJSA-N 1 2 260.403 1.684 20 30 CDEDLO CO/N=C/c1ccc(C(=O)N2CC3(CC[N@@H+]3C)C2)cc1 ZINC001276085477 932504963 /nfs/dbraw/zinc/50/49/63/932504963.db2.gz HJMHQYKJQDMOFS-CXUHLZMHSA-N 1 2 273.336 1.197 20 30 CDEDLO CO/N=C/c1ccc(C(=O)N2CC3(CC[N@H+]3C)C2)cc1 ZINC001276085477 932504964 /nfs/dbraw/zinc/50/49/64/932504964.db2.gz HJMHQYKJQDMOFS-CXUHLZMHSA-N 1 2 273.336 1.197 20 30 CDEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001171364960 932871723 /nfs/dbraw/zinc/87/17/23/932871723.db2.gz FBXQBCGNSWLQOY-CABZTGNLSA-N 1 2 272.308 1.285 20 30 CDEDLO C=C(C)CN(CC)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925575273 932907778 /nfs/dbraw/zinc/90/77/78/932907778.db2.gz ZANYPXDPYMSPBI-CQSZACIVSA-N 1 2 283.416 1.705 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](CCC(=O)NCC(=O)c2ccccc2)C1 ZINC000932154003 933673185 /nfs/dbraw/zinc/67/31/85/933673185.db2.gz TZFXCMBSGQJACW-CQSZACIVSA-N 1 2 299.374 1.611 20 30 CDEDLO N#C[C@H]1CCC[N@H+](CCC(=O)NCC(=O)c2ccccc2)C1 ZINC000932154003 933673188 /nfs/dbraw/zinc/67/31/88/933673188.db2.gz TZFXCMBSGQJACW-CQSZACIVSA-N 1 2 299.374 1.611 20 30 CDEDLO C#Cc1cccc(NC(=O)C(=O)NCCCn2cc[nH+]c2)c1 ZINC000048598237 934391618 /nfs/dbraw/zinc/39/16/18/934391618.db2.gz LKRWLJJIAHOLJP-UHFFFAOYSA-N 1 2 296.330 1.009 20 30 CDEDLO Cc1ccc(C#N)cc1C(=O)N1CCn2c[nH+]cc2C1 ZINC001119966493 937768876 /nfs/dbraw/zinc/76/88/76/937768876.db2.gz ROMYMCWOCJWAIY-UHFFFAOYSA-N 1 2 266.304 1.719 20 30 CDEDLO Cn1nccc1C(=O)/C=C/c1cccc2[nH+]ccn21 ZINC000193053575 934659154 /nfs/dbraw/zinc/65/91/54/934659154.db2.gz NZMXAHZDUAXWQV-AATRIKPKSA-N 1 2 252.277 1.964 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001010358589 935455028 /nfs/dbraw/zinc/45/50/28/935455028.db2.gz IPZQIYIZQBPFHW-HOTGVXAUSA-N 1 2 299.374 1.285 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001010358589 935455035 /nfs/dbraw/zinc/45/50/35/935455035.db2.gz IPZQIYIZQBPFHW-HOTGVXAUSA-N 1 2 299.374 1.285 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2nc(CC)c[nH]2)C1 ZINC001014795658 935551593 /nfs/dbraw/zinc/55/15/93/935551593.db2.gz GDUDWDKNDQITPX-LBPRGKRZSA-N 1 2 296.802 1.458 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2nc(CC)c[nH]2)C1 ZINC001014795658 935551594 /nfs/dbraw/zinc/55/15/94/935551594.db2.gz GDUDWDKNDQITPX-LBPRGKRZSA-N 1 2 296.802 1.458 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2ccc(C)n2)C1 ZINC001015718766 935582295 /nfs/dbraw/zinc/58/22/95/935582295.db2.gz XRXNFFWJEXPNAU-GFCCVEGCSA-N 1 2 282.775 1.135 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(C)n2)C1 ZINC001015718766 935582299 /nfs/dbraw/zinc/58/22/99/935582299.db2.gz XRXNFFWJEXPNAU-GFCCVEGCSA-N 1 2 282.775 1.135 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2scnc2C(C)(C)C)C1 ZINC001015813864 935588774 /nfs/dbraw/zinc/58/87/74/935588774.db2.gz BWPKWDKEYQWCCQ-LLVKDONJSA-N 1 2 291.420 1.878 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2scnc2C(C)(C)C)C1 ZINC001015813864 935588777 /nfs/dbraw/zinc/58/87/77/935588777.db2.gz BWPKWDKEYQWCCQ-LLVKDONJSA-N 1 2 291.420 1.878 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@]2(C)CCCOC2)C1 ZINC001015911730 935594633 /nfs/dbraw/zinc/59/46/33/935594633.db2.gz SVTVPVDJRPDJTR-TZMCWYRMSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CCCOC2)C1 ZINC001015911730 935594635 /nfs/dbraw/zinc/59/46/35/935594635.db2.gz SVTVPVDJRPDJTR-TZMCWYRMSA-N 1 2 286.803 1.746 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)n1C ZINC001017352253 935635441 /nfs/dbraw/zinc/63/54/41/935635441.db2.gz MORJJCVABYOYLR-GASCZTMLSA-N 1 2 285.391 1.646 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)n1C ZINC001017352253 935635442 /nfs/dbraw/zinc/63/54/42/935635442.db2.gz MORJJCVABYOYLR-GASCZTMLSA-N 1 2 285.391 1.646 20 30 CDEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cncc1C ZINC001017736966 935648069 /nfs/dbraw/zinc/64/80/69/935648069.db2.gz FKTJCVDSSRISLE-GASCZTMLSA-N 1 2 288.395 1.443 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cncc1C ZINC001017736966 935648072 /nfs/dbraw/zinc/64/80/72/935648072.db2.gz FKTJCVDSSRISLE-GASCZTMLSA-N 1 2 288.395 1.443 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)nnc1C ZINC001017767148 935648819 /nfs/dbraw/zinc/64/88/19/935648819.db2.gz IYFZSRMAILJJHL-GASCZTMLSA-N 1 2 298.390 1.269 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)nnc1C ZINC001017767148 935648824 /nfs/dbraw/zinc/64/88/24/935648824.db2.gz IYFZSRMAILJJHL-GASCZTMLSA-N 1 2 298.390 1.269 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccnc(C)n1 ZINC001017767103 935649282 /nfs/dbraw/zinc/64/92/82/935649282.db2.gz HHODYHGWRNOLHB-IYBDPMFKSA-N 1 2 298.390 1.026 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccnc(C)n1 ZINC001017767103 935649284 /nfs/dbraw/zinc/64/92/84/935649284.db2.gz HHODYHGWRNOLHB-IYBDPMFKSA-N 1 2 298.390 1.026 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2[nH]ncc21 ZINC001017786458 935649804 /nfs/dbraw/zinc/64/98/04/935649804.db2.gz WTVSIQZOSAINDT-BETUJISGSA-N 1 2 294.358 1.485 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2[nH]ncc21 ZINC001017786458 935649806 /nfs/dbraw/zinc/64/98/06/935649806.db2.gz WTVSIQZOSAINDT-BETUJISGSA-N 1 2 294.358 1.485 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)C)n(C)n1 ZINC001038251447 935738817 /nfs/dbraw/zinc/73/88/17/935738817.db2.gz BGVMIEHABQXXKC-CYBMUJFWSA-N 1 2 288.395 1.371 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)C)n(C)n1 ZINC001038251447 935738818 /nfs/dbraw/zinc/73/88/18/935738818.db2.gz BGVMIEHABQXXKC-CYBMUJFWSA-N 1 2 288.395 1.371 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)ccc1F ZINC001038346091 935742675 /nfs/dbraw/zinc/74/26/75/935742675.db2.gz UMTAKBQRPSFPHP-LLVKDONJSA-N 1 2 264.275 1.402 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)ccc1F ZINC001038346091 935742676 /nfs/dbraw/zinc/74/26/76/935742676.db2.gz UMTAKBQRPSFPHP-LLVKDONJSA-N 1 2 264.275 1.402 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnoc1-c1ccco1 ZINC001038417229 935743399 /nfs/dbraw/zinc/74/33/99/935743399.db2.gz KYNFIHMDRKAIOP-GFCCVEGCSA-N 1 2 299.330 1.762 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnoc1-c1ccco1 ZINC001038417229 935743401 /nfs/dbraw/zinc/74/34/01/935743401.db2.gz KYNFIHMDRKAIOP-GFCCVEGCSA-N 1 2 299.330 1.762 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccccc2)on1 ZINC001038480156 935746095 /nfs/dbraw/zinc/74/60/95/935746095.db2.gz GBTAUZQNSUMSDG-AWEZNQCLSA-N 1 2 295.342 1.779 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccccc2)on1 ZINC001038480156 935746100 /nfs/dbraw/zinc/74/61/00/935746100.db2.gz GBTAUZQNSUMSDG-AWEZNQCLSA-N 1 2 295.342 1.779 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn2ccc(C)cc2n1 ZINC001038468794 935746425 /nfs/dbraw/zinc/74/64/25/935746425.db2.gz KLYUKMKOOQPGLF-AWEZNQCLSA-N 1 2 296.374 1.470 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cn2ccc(C)cc2n1 ZINC001038468794 935746426 /nfs/dbraw/zinc/74/64/26/935746426.db2.gz KLYUKMKOOQPGLF-AWEZNQCLSA-N 1 2 296.374 1.470 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)cc1F ZINC001038732044 935755037 /nfs/dbraw/zinc/75/50/37/935755037.db2.gz ISAODHVOBWRCRM-ZDUSSCGKSA-N 1 2 274.339 1.962 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)cc1F ZINC001038732044 935755040 /nfs/dbraw/zinc/75/50/40/935755040.db2.gz ISAODHVOBWRCRM-ZDUSSCGKSA-N 1 2 274.339 1.962 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1coc(C2CCCC2)n1 ZINC001038858943 935760323 /nfs/dbraw/zinc/76/03/23/935760323.db2.gz SQDGXMJDRAXBPT-ZDUSSCGKSA-N 1 2 287.363 1.770 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(C2CCCC2)n1 ZINC001038858943 935760324 /nfs/dbraw/zinc/76/03/24/935760324.db2.gz SQDGXMJDRAXBPT-ZDUSSCGKSA-N 1 2 287.363 1.770 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c([nH]1)CCCC2 ZINC001038888869 935761361 /nfs/dbraw/zinc/76/13/61/935761361.db2.gz GVVZTVAMQXPMQW-CQSZACIVSA-N 1 2 285.391 1.721 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2c([nH]1)CCCC2 ZINC001038888869 935761362 /nfs/dbraw/zinc/76/13/62/935761362.db2.gz GVVZTVAMQXPMQW-CQSZACIVSA-N 1 2 285.391 1.721 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(CCCC)nc1C ZINC001038899010 935762223 /nfs/dbraw/zinc/76/22/23/935762223.db2.gz FPESLNJPACGFTB-AWEZNQCLSA-N 1 2 288.395 1.429 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(CCCC)nc1C ZINC001038899010 935762226 /nfs/dbraw/zinc/76/22/26/935762226.db2.gz FPESLNJPACGFTB-AWEZNQCLSA-N 1 2 288.395 1.429 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2C[C@H](F)CC)nc1 ZINC001038929775 935763544 /nfs/dbraw/zinc/76/35/44/935763544.db2.gz DYENUVKMALDLIZ-ZIAGYGMSSA-N 1 2 289.354 1.615 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C[C@H](F)CC)nc1 ZINC001038929775 935763546 /nfs/dbraw/zinc/76/35/46/935763546.db2.gz DYENUVKMALDLIZ-ZIAGYGMSSA-N 1 2 289.354 1.615 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(NC(C)=O)c1 ZINC001039017385 935765981 /nfs/dbraw/zinc/76/59/81/935765981.db2.gz OGNNXNRSOLDDBY-INIZCTEOSA-N 1 2 299.374 1.472 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(NC(C)=O)c1 ZINC001039017385 935765982 /nfs/dbraw/zinc/76/59/82/935765982.db2.gz OGNNXNRSOLDDBY-INIZCTEOSA-N 1 2 299.374 1.472 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccc(CC)n2)C1 ZINC001042938352 935830842 /nfs/dbraw/zinc/83/08/42/935830842.db2.gz NFMAVEDCUZZWMD-UHFFFAOYSA-N 1 2 273.380 1.976 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(CCC)n[nH]2)C1 ZINC001043502414 935839770 /nfs/dbraw/zinc/83/97/70/935839770.db2.gz YPBJDUQHXOSFGH-UHFFFAOYSA-N 1 2 276.384 1.695 20 30 CDEDLO C#Cc1cncc(C(=O)N(C)C2C[NH+](CC=C(C)C)C2)c1 ZINC001043821514 935844997 /nfs/dbraw/zinc/84/49/97/935844997.db2.gz LPGQCFAMNPQCOL-UHFFFAOYSA-N 1 2 283.375 1.785 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](CC=C(C)C)C1 ZINC001043914303 935846177 /nfs/dbraw/zinc/84/61/77/935846177.db2.gz AOSDEBSJICSDKZ-CABCVRRESA-N 1 2 278.396 1.686 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCO[C@H](C)C2)C1 ZINC001044104520 935850899 /nfs/dbraw/zinc/85/08/99/935850899.db2.gz RAIKCGCJJWDASM-NEPJUHHUSA-N 1 2 252.358 1.130 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001044321295 935857124 /nfs/dbraw/zinc/85/71/24/935857124.db2.gz XOBYAENDZLJDMR-GFCCVEGCSA-N 1 2 288.395 1.233 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](C)n2nc(C)cc2C)C1 ZINC001044362236 935857656 /nfs/dbraw/zinc/85/76/56/935857656.db2.gz UDRBAVORKUERHK-CQSZACIVSA-N 1 2 290.411 1.780 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2c(C)cnn2C)C1 ZINC001046554614 935959254 /nfs/dbraw/zinc/95/92/54/935959254.db2.gz STDJDYPWKTWWNA-AWEZNQCLSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2c(C)cnn2C)C1 ZINC001046554614 935959255 /nfs/dbraw/zinc/95/92/55/935959255.db2.gz STDJDYPWKTWWNA-AWEZNQCLSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2n[nH]cc2F)C1 ZINC001046600837 935962138 /nfs/dbraw/zinc/96/21/38/935962138.db2.gz UTIQMLNJDLGPAU-LBPRGKRZSA-N 1 2 286.738 1.496 20 30 CDEDLO C[C@@H](C#N)OCCOC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000801857574 936011956 /nfs/dbraw/zinc/01/19/56/936011956.db2.gz ZWDPZVITOIBFDA-GXTWGEPZSA-N 1 2 276.336 1.761 20 30 CDEDLO C[C@@H](C#N)OCC[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000801922691 936016057 /nfs/dbraw/zinc/01/60/57/936016057.db2.gz ZCOKRQDXELREME-JTQLQIEISA-N 1 2 297.296 1.433 20 30 CDEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+]C[C@@H](O)C(C)C ZINC001253780938 936092922 /nfs/dbraw/zinc/09/29/22/936092922.db2.gz XVRPSTUHXFUMCB-QWHCGFSZSA-N 1 2 257.374 1.737 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1scnc1Cl)C2 ZINC001096555600 936156822 /nfs/dbraw/zinc/15/68/22/936156822.db2.gz MZWKHVHUFMFBMZ-UTLUCORTSA-N 1 2 295.795 1.765 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1scnc1Cl)C2 ZINC001096555600 936156823 /nfs/dbraw/zinc/15/68/23/936156823.db2.gz MZWKHVHUFMFBMZ-UTLUCORTSA-N 1 2 295.795 1.765 20 30 CDEDLO C=C(Cl)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001096652450 936202111 /nfs/dbraw/zinc/20/21/11/936202111.db2.gz LTMKJYIYVXQGLH-AGIUHOORSA-N 1 2 294.786 1.357 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCOCC1)C2 ZINC001096718124 936210665 /nfs/dbraw/zinc/21/06/65/936210665.db2.gz PVCQUWKNNNTQAU-MCIONIFRSA-N 1 2 298.814 1.887 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCOCC1)C2 ZINC001096718124 936210668 /nfs/dbraw/zinc/21/06/68/936210668.db2.gz PVCQUWKNNNTQAU-MCIONIFRSA-N 1 2 298.814 1.887 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncc(Cl)s1)C2 ZINC001097537093 936309152 /nfs/dbraw/zinc/30/91/52/936309152.db2.gz XWCRFZRADZBLPV-BBBLOLIVSA-N 1 2 295.795 1.765 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncc(Cl)s1)C2 ZINC001097537093 936309157 /nfs/dbraw/zinc/30/91/57/936309157.db2.gz XWCRFZRADZBLPV-BBBLOLIVSA-N 1 2 295.795 1.765 20 30 CDEDLO Cc1cc(Cl)ncc1C(F)(F)N1CC[NH2+]C[C@@H]1C#N ZINC001156319769 938351321 /nfs/dbraw/zinc/35/13/21/938351321.db2.gz DWZCRCDZDPGSAJ-VIFPVBQESA-N 1 2 286.713 1.890 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(NCCn3cnnc3)c2c1 ZINC001158036729 938577523 /nfs/dbraw/zinc/57/75/23/938577523.db2.gz SKPKEOVYSPOGNX-UHFFFAOYSA-N 1 2 264.292 1.810 20 30 CDEDLO Cc1nc(-n2cncn2)cc(NCc2ccc(C#N)s2)[nH+]1 ZINC001159180001 938708662 /nfs/dbraw/zinc/70/86/62/938708662.db2.gz PQIRIAGKBUBAIN-UHFFFAOYSA-N 1 2 297.347 1.911 20 30 CDEDLO C=CCOC(=O)N1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC001203193090 938720293 /nfs/dbraw/zinc/72/02/93/938720293.db2.gz GYDPWAIHLWQWOV-UHFFFAOYSA-N 1 2 290.363 1.619 20 30 CDEDLO Cc1nc(C#N)cnc1NC1CN(c2cccc[nH+]2)C1 ZINC001161322760 938888997 /nfs/dbraw/zinc/88/89/97/938888997.db2.gz NSHZYHGIFJSQFE-UHFFFAOYSA-N 1 2 266.308 1.352 20 30 CDEDLO Cc1ncc(C#N)c(NCc2c[nH+]cn2C(C)C)n1 ZINC001161563116 938913384 /nfs/dbraw/zinc/91/33/84/938913384.db2.gz NWXBGVUUOMTIKH-UHFFFAOYSA-N 1 2 256.313 1.468 20 30 CDEDLO CO[C@@H]1CN(c2[nH+]ccc3ccc(C#N)cc32)C[C@@H]1OC ZINC001163996099 939377387 /nfs/dbraw/zinc/37/73/87/939377387.db2.gz BMSCUISMQIMXKA-GASCZTMLSA-N 1 2 283.331 1.956 20 30 CDEDLO C=CCc1cc(C)cnc1N[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001164306932 939450059 /nfs/dbraw/zinc/45/00/59/939450059.db2.gz QOCMJSDYHQTILW-STQMWFEESA-N 1 2 275.352 1.434 20 30 CDEDLO Cc1cc(Cl)nc(C(F)(F)N2CC[NH2+]C[C@H]2C#N)n1 ZINC001164642109 939501190 /nfs/dbraw/zinc/50/11/90/939501190.db2.gz SOTQAXCOFCBDSW-MRVPVSSYSA-N 1 2 287.701 1.285 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1c1cc(F)cc2ncnc(Cl)c21 ZINC001164652227 939502447 /nfs/dbraw/zinc/50/24/47/939502447.db2.gz PYVJWPMVDHLDIM-SECBINFHSA-N 1 2 291.717 1.724 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(N3CCC[C@@H](C(N)=O)C3)c2c1 ZINC001166934133 939652324 /nfs/dbraw/zinc/65/23/24/939652324.db2.gz OLOQALMVQSWVIZ-CYBMUJFWSA-N 1 2 280.331 1.808 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)c1 ZINC001203757795 939702619 /nfs/dbraw/zinc/70/26/19/939702619.db2.gz UEMQXIHGXSZZMN-ARFHVFGLSA-N 1 2 272.348 1.530 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)c1 ZINC001203757795 939702620 /nfs/dbraw/zinc/70/26/20/939702620.db2.gz UEMQXIHGXSZZMN-ARFHVFGLSA-N 1 2 272.348 1.530 20 30 CDEDLO C[C@@H](c1ncccn1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C#CC2CC2)C1 ZINC001206951834 940116202 /nfs/dbraw/zinc/11/62/02/940116202.db2.gz LBJLDHCFYIQLFS-VNHYZAJKSA-N 1 2 298.390 1.388 20 30 CDEDLO C[C@@H](c1ncccn1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC2CC2)C1 ZINC001206951834 940116204 /nfs/dbraw/zinc/11/62/04/940116204.db2.gz LBJLDHCFYIQLFS-VNHYZAJKSA-N 1 2 298.390 1.388 20 30 CDEDLO N#Cc1ncc(-c2ccn3cc(N)[nH+]c3c2)cc1F ZINC001238989532 945297837 /nfs/dbraw/zinc/29/78/37/945297837.db2.gz AIGPMGGNIVFAPA-UHFFFAOYSA-N 1 2 253.240 1.989 20 30 CDEDLO C=CCC[C@H](C)[N@H+]1C[C@](O)(C(F)(F)F)C[C@H]1C(=O)OC ZINC001258725320 945392569 /nfs/dbraw/zinc/39/25/69/945392569.db2.gz KCZGSTGRULYHNQ-NHCYSSNCSA-N 1 2 295.301 1.882 20 30 CDEDLO C=CCC[C@H](C)[N@@H+]1C[C@](O)(C(F)(F)F)C[C@H]1C(=O)OC ZINC001258725320 945392575 /nfs/dbraw/zinc/39/25/75/945392575.db2.gz KCZGSTGRULYHNQ-NHCYSSNCSA-N 1 2 295.301 1.882 20 30 CDEDLO C#CCOc1ccccc1C[NH2+]Cc1cn(CC)nn1 ZINC000404456666 940963607 /nfs/dbraw/zinc/96/36/07/940963607.db2.gz WFPIYMODAWTQLP-UHFFFAOYSA-N 1 2 270.336 1.600 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C/C=C(\C)C=C)[C@H]2C1 ZINC001218448790 941219809 /nfs/dbraw/zinc/21/98/09/941219809.db2.gz SDTKNPKMASRRNJ-ZCIHOMHXSA-N 1 2 274.364 1.054 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C/C=C(\C)C=C)[C@H]2C1 ZINC001218448790 941219810 /nfs/dbraw/zinc/21/98/10/941219810.db2.gz SDTKNPKMASRRNJ-ZCIHOMHXSA-N 1 2 274.364 1.054 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC(C)=C(C)C)[C@H]2C1 ZINC001218462650 941220683 /nfs/dbraw/zinc/22/06/83/941220683.db2.gz QCLCMGCFWQLQAC-LSDHHAIUSA-N 1 2 276.380 1.278 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC(C)=C(C)C)[C@H]2C1 ZINC001218462650 941220685 /nfs/dbraw/zinc/22/06/85/941220685.db2.gz QCLCMGCFWQLQAC-LSDHHAIUSA-N 1 2 276.380 1.278 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)CC(C)C)[C@H]2C1 ZINC001218859717 941280222 /nfs/dbraw/zinc/28/02/22/941280222.db2.gz YWUCCQCTZBLRFL-SOUVJXGZSA-N 1 2 278.396 1.213 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)CC(C)C)[C@H]2C1 ZINC001218859717 941280223 /nfs/dbraw/zinc/28/02/23/941280223.db2.gz YWUCCQCTZBLRFL-SOUVJXGZSA-N 1 2 278.396 1.213 20 30 CDEDLO N#Cc1ccc(F)c(N2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)c1 ZINC001277022230 941827407 /nfs/dbraw/zinc/82/74/07/941827407.db2.gz BRAWZXUMYNBMIC-UHFFFAOYSA-N 1 2 297.337 1.743 20 30 CDEDLO Cc1cc(C#N)c(OC[C@@H]2C[N@H+](C)CCO2)nc1C ZINC001225531522 941874604 /nfs/dbraw/zinc/87/46/04/941874604.db2.gz RZVIHFGIUGDFSY-ZDUSSCGKSA-N 1 2 261.325 1.280 20 30 CDEDLO Cc1cc(C#N)c(OC[C@@H]2C[N@@H+](C)CCO2)nc1C ZINC001225531522 941874606 /nfs/dbraw/zinc/87/46/06/941874606.db2.gz RZVIHFGIUGDFSY-ZDUSSCGKSA-N 1 2 261.325 1.280 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3c(F)cccc3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001226011059 941941001 /nfs/dbraw/zinc/94/10/01/941941001.db2.gz YRHDRTWVNVNYFF-PEUDNIOHSA-N 1 2 294.282 1.725 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3c(F)cccc3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001226011059 941941003 /nfs/dbraw/zinc/94/10/03/941941003.db2.gz YRHDRTWVNVNYFF-PEUDNIOHSA-N 1 2 294.282 1.725 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc([N+](=O)[O-])c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226763410 942065188 /nfs/dbraw/zinc/06/51/88/942065188.db2.gz SKWNGOVJLILYCC-KLLCGCCRSA-N 1 2 276.292 1.586 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc([N+](=O)[O-])c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226763410 942065192 /nfs/dbraw/zinc/06/51/92/942065192.db2.gz SKWNGOVJLILYCC-KLLCGCCRSA-N 1 2 276.292 1.586 20 30 CDEDLO CC(C)C#CC(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001227233614 942154462 /nfs/dbraw/zinc/15/44/62/942154462.db2.gz XPLDPNXGSSDPFK-UHFFFAOYSA-N 1 2 288.395 1.160 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CN(C)C(=O)CCC)C1=O ZINC001230618521 942657885 /nfs/dbraw/zinc/65/78/85/942657885.db2.gz FGHYZFPXJCRFLJ-ZIAGYGMSSA-N 1 2 293.411 1.106 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CN(C)C(=O)CCC)C1=O ZINC001230618521 942657886 /nfs/dbraw/zinc/65/78/86/942657886.db2.gz FGHYZFPXJCRFLJ-ZIAGYGMSSA-N 1 2 293.411 1.106 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1conc1C ZINC001231234365 942826259 /nfs/dbraw/zinc/82/62/59/942826259.db2.gz RWBBJJUARIKWCY-CQSZACIVSA-N 1 2 293.367 1.218 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1conc1C ZINC001231234365 942826265 /nfs/dbraw/zinc/82/62/65/942826265.db2.gz RWBBJJUARIKWCY-CQSZACIVSA-N 1 2 293.367 1.218 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@@H]2CN(C)C(=O)[C@H](C)C#N)on1 ZINC001231247521 942832228 /nfs/dbraw/zinc/83/22/28/942832228.db2.gz OKXFFIHWIBRKHR-ZYHUDNBSSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)[C@H](C)C#N)on1 ZINC001231247521 942832233 /nfs/dbraw/zinc/83/22/33/942832233.db2.gz OKXFFIHWIBRKHR-ZYHUDNBSSA-N 1 2 276.340 1.175 20 30 CDEDLO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccn1 ZINC001232482486 943296751 /nfs/dbraw/zinc/29/67/51/943296751.db2.gz VWHTYOPBKUNWTC-ZDUSSCGKSA-N 1 2 258.325 1.054 20 30 CDEDLO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001232482486 943296746 /nfs/dbraw/zinc/29/67/46/943296746.db2.gz VWHTYOPBKUNWTC-ZDUSSCGKSA-N 1 2 258.325 1.054 20 30 CDEDLO N#Cc1ccc(O)c(C[NH+]2CCN(c3cncnc3)CC2)c1 ZINC001232678101 943358464 /nfs/dbraw/zinc/35/84/64/943358464.db2.gz PHVSHXQKQKRARG-UHFFFAOYSA-N 1 2 295.346 1.376 20 30 CDEDLO CC[N@@H+]1CCN(Cc2cc(C#N)ccc2O)[C@H](C)C1 ZINC001232682051 943361217 /nfs/dbraw/zinc/36/12/17/943361217.db2.gz YYTVJMXYUFSXSE-GFCCVEGCSA-N 1 2 259.353 1.790 20 30 CDEDLO CC[N@H+]1CCN(Cc2cc(C#N)ccc2O)[C@H](C)C1 ZINC001232682051 943361222 /nfs/dbraw/zinc/36/12/22/943361222.db2.gz YYTVJMXYUFSXSE-GFCCVEGCSA-N 1 2 259.353 1.790 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3ncccn3)C2)c1 ZINC001232681879 943363349 /nfs/dbraw/zinc/36/33/49/943363349.db2.gz XHLVLBPOSHBPHA-AWEZNQCLSA-N 1 2 296.330 1.707 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H](Oc3ncccn3)C2)c1 ZINC001232681879 943363353 /nfs/dbraw/zinc/36/33/53/943363353.db2.gz XHLVLBPOSHBPHA-AWEZNQCLSA-N 1 2 296.330 1.707 20 30 CDEDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cccc(C#N)n2)CCS1 ZINC001232926571 943435697 /nfs/dbraw/zinc/43/56/97/943435697.db2.gz UDVDAKQYRVXEOE-ZDUSSCGKSA-N 1 2 291.376 1.434 20 30 CDEDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)CCS1 ZINC001232926571 943435700 /nfs/dbraw/zinc/43/57/00/943435700.db2.gz UDVDAKQYRVXEOE-ZDUSSCGKSA-N 1 2 291.376 1.434 20 30 CDEDLO CN1CCC[C@H]2C[N@H+](Cc3ccc(C#N)cc3O)C[C@H]21 ZINC001233387518 943574499 /nfs/dbraw/zinc/57/44/99/943574499.db2.gz MKDCIDXKUZNVOY-DZGCQCFKSA-N 1 2 271.364 1.790 20 30 CDEDLO CN1CCC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3O)C[C@H]21 ZINC001233387518 943574503 /nfs/dbraw/zinc/57/45/03/943574503.db2.gz MKDCIDXKUZNVOY-DZGCQCFKSA-N 1 2 271.364 1.790 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1C/C=C\Cl ZINC001233935153 943693245 /nfs/dbraw/zinc/69/32/45/943693245.db2.gz AWZCPXJXNOLTFB-MHQJXXKBSA-N 1 2 286.803 1.599 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1CC[N@H+]1C/C=C\Cl ZINC001233935153 943693251 /nfs/dbraw/zinc/69/32/51/943693251.db2.gz AWZCPXJXNOLTFB-MHQJXXKBSA-N 1 2 286.803 1.599 20 30 CDEDLO C#CCCCNC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001263086793 943738492 /nfs/dbraw/zinc/73/84/92/943738492.db2.gz OLTHBMMMFRUGRE-UHFFFAOYSA-N 1 2 274.368 1.723 20 30 CDEDLO CC[C@@H](F)C[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234179923 943767398 /nfs/dbraw/zinc/76/73/98/943767398.db2.gz YOCYZBKBGZYICW-KGLIPLIRSA-N 1 2 266.360 1.681 20 30 CDEDLO CC[C@@H](F)C[N@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234179923 943767402 /nfs/dbraw/zinc/76/74/02/943767402.db2.gz YOCYZBKBGZYICW-KGLIPLIRSA-N 1 2 266.360 1.681 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)c1ccc(CC#N)cc1 ZINC001263918439 944030965 /nfs/dbraw/zinc/03/09/65/944030965.db2.gz DKZGZPYUUNHJRO-UHFFFAOYSA-N 1 2 268.320 1.459 20 30 CDEDLO N#CCc1ccccc1C[NH+]1CC(N2CC(F)C2)C1 ZINC001235510357 944180068 /nfs/dbraw/zinc/18/00/68/944180068.db2.gz AKLFVKYFMAXNHO-UHFFFAOYSA-N 1 2 259.328 1.591 20 30 CDEDLO COC(=O)C[N@H+](C)Cc1cn(C)c2ccc(C#N)cc12 ZINC001237473992 944806151 /nfs/dbraw/zinc/80/61/51/944806151.db2.gz ZVFDHYXUPAVOPH-UHFFFAOYSA-N 1 2 271.320 1.655 20 30 CDEDLO COC(=O)C[N@@H+](C)Cc1cn(C)c2ccc(C#N)cc12 ZINC001237473992 944806162 /nfs/dbraw/zinc/80/61/62/944806162.db2.gz ZVFDHYXUPAVOPH-UHFFFAOYSA-N 1 2 271.320 1.655 20 30 CDEDLO CCc1n[nH]cc1C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001237645670 944902464 /nfs/dbraw/zinc/90/24/64/944902464.db2.gz HXMMQCRVMMTBSN-LBPRGKRZSA-N 1 2 263.366 1.746 20 30 CDEDLO CCc1n[nH]cc1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001237645670 944902471 /nfs/dbraw/zinc/90/24/71/944902471.db2.gz HXMMQCRVMMTBSN-LBPRGKRZSA-N 1 2 263.366 1.746 20 30 CDEDLO COC(=O)c1c[nH]c2nc[nH+]c(-c3ccc(N)c(C#N)c3)c21 ZINC001244113018 947327378 /nfs/dbraw/zinc/32/73/78/947327378.db2.gz VUMJFKPTGXCFTJ-UHFFFAOYSA-N 1 2 293.286 1.817 20 30 CDEDLO CCOC(=O)C[NH+]1CCC(N[C@H](C#N)CC(C)C)CC1 ZINC001254399347 947420534 /nfs/dbraw/zinc/42/05/34/947420534.db2.gz IRAYKMQNSQCSGA-AWEZNQCLSA-N 1 2 281.400 1.542 20 30 CDEDLO O=C1C=C2C[N@H+](C3CCC4(CC3)OCCO4)CC[C@H]2S1 ZINC001255627712 948044610 /nfs/dbraw/zinc/04/46/10/948044610.db2.gz XXESUWCBELQKGY-CYBMUJFWSA-N 1 2 295.404 1.946 20 30 CDEDLO O=C1C=C2C[N@@H+](C3CCC4(CC3)OCCO4)CC[C@H]2S1 ZINC001255627712 948044615 /nfs/dbraw/zinc/04/46/15/948044615.db2.gz XXESUWCBELQKGY-CYBMUJFWSA-N 1 2 295.404 1.946 20 30 CDEDLO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001257057644 948505757 /nfs/dbraw/zinc/50/57/57/948505757.db2.gz XRYSLABMJGTDDV-RTXFEEFZSA-N 1 2 295.404 1.992 20 30 CDEDLO CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001257057644 948505762 /nfs/dbraw/zinc/50/57/62/948505762.db2.gz XRYSLABMJGTDDV-RTXFEEFZSA-N 1 2 295.404 1.992 20 30 CDEDLO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001257057644 948505766 /nfs/dbraw/zinc/50/57/66/948505766.db2.gz XRYSLABMJGTDDV-RTXFEEFZSA-N 1 2 295.404 1.992 20 30 CDEDLO CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001257057644 948505769 /nfs/dbraw/zinc/50/57/69/948505769.db2.gz XRYSLABMJGTDDV-RTXFEEFZSA-N 1 2 295.404 1.992 20 30 CDEDLO C#CC[C@H]([NH3+])c1nc(-c2ccc3c(c2)CCC3=O)no1 ZINC001247609630 948677720 /nfs/dbraw/zinc/67/77/20/948677720.db2.gz LYKSDHAOVLHRLU-LBPRGKRZSA-N 1 2 267.288 1.889 20 30 CDEDLO CCc1cc(C#N)ccc1C[NH+]1CCN(C(=O)NC)CC1 ZINC001248752633 949126285 /nfs/dbraw/zinc/12/62/85/949126285.db2.gz UGHYVZQIFYPSKO-UHFFFAOYSA-N 1 2 286.379 1.578 20 30 CDEDLO C[S@](=O)CC[C@H]([NH3+])c1nc(-c2cccc(C#N)c2)no1 ZINC001249249579 949485097 /nfs/dbraw/zinc/48/50/97/949485097.db2.gz OSKIGMVYTSCUDK-YBTHPKLGSA-N 1 2 290.348 1.377 20 30 CDEDLO C#CC[NH+]1CCN(Cc2csc(-c3ccncc3)n2)CC1 ZINC001249298184 949511433 /nfs/dbraw/zinc/51/14/33/949511433.db2.gz FXGYJEHFOLCMRJ-UHFFFAOYSA-N 1 2 298.415 1.956 20 30 CDEDLO C=CCOC[C@@H](O)CNc1cccc2[nH+]c(C)cn21 ZINC001252452073 951288887 /nfs/dbraw/zinc/28/88/87/951288887.db2.gz IIFCVQZATZDWRB-LBPRGKRZSA-N 1 2 261.325 1.618 20 30 CDEDLO C=CCOC[C@H](O)CNc1cc(N2CCCCC2)nc[nH+]1 ZINC001252455644 951295902 /nfs/dbraw/zinc/29/59/02/951295902.db2.gz FSZVPQVCOXLNEZ-CYBMUJFWSA-N 1 2 292.383 1.442 20 30 CDEDLO C=CCOC[C@H](O)CNc1cc(N2CCCCC2)[nH+]cn1 ZINC001252455644 951295917 /nfs/dbraw/zinc/29/59/17/951295917.db2.gz FSZVPQVCOXLNEZ-CYBMUJFWSA-N 1 2 292.383 1.442 20 30 CDEDLO C=C[C@](C)(O)CNc1ccc([NH+]2CCC(O)CC2)cc1 ZINC001252564379 951458180 /nfs/dbraw/zinc/45/81/80/951458180.db2.gz GETKIVUIDDJEKW-INIZCTEOSA-N 1 2 276.380 1.997 20 30 CDEDLO COc1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C#N)C2)c1 ZINC001253958328 952162663 /nfs/dbraw/zinc/16/26/63/952162663.db2.gz ZBPYIHOZQAYFMX-STQMWFEESA-N 1 2 276.336 1.280 20 30 CDEDLO COc1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](C#N)C2)c1 ZINC001253958328 952162666 /nfs/dbraw/zinc/16/26/66/952162666.db2.gz ZBPYIHOZQAYFMX-STQMWFEESA-N 1 2 276.336 1.280 20 30 CDEDLO C=C[C@H](COC)NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC001324668697 953504770 /nfs/dbraw/zinc/50/47/70/953504770.db2.gz HBOOFZZNKAJMHA-CHWSQXEVSA-N 1 2 292.383 1.510 20 30 CDEDLO CC(C)NC(=S)NN=C1CCCc2[nH+]c(N)ccc21 ZINC001325313557 953831972 /nfs/dbraw/zinc/83/19/72/953831972.db2.gz DUNGNIKPCMGYBH-UHFFFAOYSA-N 1 2 277.397 1.577 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)c1cc(F)c(C#N)c(F)c1 ZINC001363956286 954073824 /nfs/dbraw/zinc/07/38/24/954073824.db2.gz BSPFPFZMWDHKSC-UHFFFAOYSA-N 1 2 290.273 1.542 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)[C@@H](CC#N)c1ccccc1 ZINC001363957293 954076916 /nfs/dbraw/zinc/07/69/16/954076916.db2.gz GRLBMWUJZDKNNV-AWEZNQCLSA-N 1 2 282.347 1.776 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(OCC#N)cc1 ZINC001364066993 954174117 /nfs/dbraw/zinc/17/41/17/954174117.db2.gz QIFKPNSDLUUZSM-GFCCVEGCSA-N 1 2 299.334 1.996 20 30 CDEDLO C[C@@H](c1nc(-c2nc[nH]n2)no1)[NH+]1CCC(C)(C#N)CC1 ZINC001363222457 971992630 /nfs/dbraw/zinc/99/26/30/971992630.db2.gz XQBWBWVEDGNJAB-VIFPVBQESA-N 1 2 287.327 1.541 20 30 CDEDLO N#Cc1cccc(CNC(=O)NCc2ccc[nH+]c2N)c1 ZINC001364475560 954659783 /nfs/dbraw/zinc/65/97/83/954659783.db2.gz FBSSOTHWTUKFSC-UHFFFAOYSA-N 1 2 281.319 1.535 20 30 CDEDLO C[C@H](C#N)C(=O)NCC[N@H+](C)Cc1cc(F)ccc1F ZINC001492216907 955717023 /nfs/dbraw/zinc/71/70/23/955717023.db2.gz HMADYEKEZREMIF-SNVBAGLBSA-N 1 2 281.306 1.672 20 30 CDEDLO C[C@H](C#N)C(=O)NCC[N@@H+](C)Cc1cc(F)ccc1F ZINC001492216907 955717029 /nfs/dbraw/zinc/71/70/29/955717029.db2.gz HMADYEKEZREMIF-SNVBAGLBSA-N 1 2 281.306 1.672 20 30 CDEDLO C=CC[C@H](NCc1[nH]c(C)c(C)[nH+]1)C(=O)OCC ZINC001329157267 955723820 /nfs/dbraw/zinc/72/38/20/955723820.db2.gz NMXCJVRXLNMARL-NSHDSACASA-N 1 2 251.330 1.624 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cncc(OC)n1 ZINC001422568763 956160930 /nfs/dbraw/zinc/16/09/30/956160930.db2.gz PUUOBPWKPDHKMP-SNVBAGLBSA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cncc(OC)n1 ZINC001422568763 956160936 /nfs/dbraw/zinc/16/09/36/956160936.db2.gz PUUOBPWKPDHKMP-SNVBAGLBSA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1nn(CC)nc1C ZINC001422612313 956192862 /nfs/dbraw/zinc/19/28/62/956192862.db2.gz WIRHSCRMSYNRTJ-JTQLQIEISA-N 1 2 299.806 1.409 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1nn(CC)nc1C ZINC001422612313 956192873 /nfs/dbraw/zinc/19/28/73/956192873.db2.gz WIRHSCRMSYNRTJ-JTQLQIEISA-N 1 2 299.806 1.409 20 30 CDEDLO C=CCC[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001339280745 956397847 /nfs/dbraw/zinc/39/78/47/956397847.db2.gz MKPNIJUTBYPMRU-QWHCGFSZSA-N 1 2 252.358 1.274 20 30 CDEDLO C=CCC[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001339280745 956397860 /nfs/dbraw/zinc/39/78/60/956397860.db2.gz MKPNIJUTBYPMRU-QWHCGFSZSA-N 1 2 252.358 1.274 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(=O)n1C ZINC001422881173 956421519 /nfs/dbraw/zinc/42/15/19/956421519.db2.gz BMTFIQUGYZZKFG-LLVKDONJSA-N 1 2 297.786 1.188 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cccc(=O)n1C ZINC001422881173 956421530 /nfs/dbraw/zinc/42/15/30/956421530.db2.gz BMTFIQUGYZZKFG-LLVKDONJSA-N 1 2 297.786 1.188 20 30 CDEDLO C=CCOc1cccc(C[NH2+]Cc2nncn2C)c1 ZINC001308198034 956492403 /nfs/dbraw/zinc/49/24/03/956492403.db2.gz RUSFQAJDDYGTMS-UHFFFAOYSA-N 1 2 258.325 1.670 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CCc2cn[nH]c2)C1 ZINC001494853117 972323515 /nfs/dbraw/zinc/32/35/15/972323515.db2.gz PYDVBGIFTMUMCR-CYBMUJFWSA-N 1 2 296.802 1.628 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CCc2cn[nH]c2)C1 ZINC001494853117 972323517 /nfs/dbraw/zinc/32/35/17/972323517.db2.gz PYDVBGIFTMUMCR-CYBMUJFWSA-N 1 2 296.802 1.628 20 30 CDEDLO C=CCNC(=S)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001319193189 958425328 /nfs/dbraw/zinc/42/53/28/958425328.db2.gz XHWRCGDQTQTBFH-GFCCVEGCSA-N 1 2 278.425 1.735 20 30 CDEDLO C=C[C@@](C)(O)C(=O)N1CC[NH2+][C@H](c2cccc(OC)c2)C1 ZINC001336023169 960160670 /nfs/dbraw/zinc/16/06/70/960160670.db2.gz BVEGNXXNFIBSHF-GOEBONIOSA-N 1 2 290.363 1.105 20 30 CDEDLO CC[C@H](C(=O)N1CC[C@@](F)(C#N)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001433907494 960752969 /nfs/dbraw/zinc/75/29/69/960752969.db2.gz STTXRHKIRAXXQQ-UMVBOHGHSA-N 1 2 297.374 1.340 20 30 CDEDLO CC[C@H](C(=O)N1CC[C@@](F)(C#N)C1)[N@H+]1CCO[C@H](CC)C1 ZINC001433907494 960752988 /nfs/dbraw/zinc/75/29/88/960752988.db2.gz STTXRHKIRAXXQQ-UMVBOHGHSA-N 1 2 297.374 1.340 20 30 CDEDLO C=CCN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001338138991 961653203 /nfs/dbraw/zinc/65/32/03/961653203.db2.gz OMLIOCHRVJFUSK-UHFFFAOYSA-N 1 2 288.399 1.530 20 30 CDEDLO C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)C[C@@H](C)C#N ZINC001340492158 962966570 /nfs/dbraw/zinc/96/65/70/962966570.db2.gz PTHBTHDFOQKFJO-STQMWFEESA-N 1 2 288.399 1.827 20 30 CDEDLO C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)C[C@@H](C)C#N ZINC001340492158 962966579 /nfs/dbraw/zinc/96/65/79/962966579.db2.gz PTHBTHDFOQKFJO-STQMWFEESA-N 1 2 288.399 1.827 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1cncn1C ZINC001439400381 963751443 /nfs/dbraw/zinc/75/14/43/963751443.db2.gz NRNGVWLEFBNKRI-NSHDSACASA-N 1 2 284.791 1.152 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1cncn1C ZINC001439400381 963751446 /nfs/dbraw/zinc/75/14/46/963751446.db2.gz NRNGVWLEFBNKRI-NSHDSACASA-N 1 2 284.791 1.152 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1nn(CC)nc1C ZINC001439415055 963756337 /nfs/dbraw/zinc/75/63/37/963756337.db2.gz GQNMSUSOPMSAKI-SNVBAGLBSA-N 1 2 299.806 1.409 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1nn(CC)nc1C ZINC001439415055 963756340 /nfs/dbraw/zinc/75/63/40/963756340.db2.gz GQNMSUSOPMSAKI-SNVBAGLBSA-N 1 2 299.806 1.409 20 30 CDEDLO N#CCCCC[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC001345101749 964572791 /nfs/dbraw/zinc/57/27/91/964572791.db2.gz AEXFHLUFNTZPBE-LBPRGKRZSA-N 1 2 256.313 1.573 20 30 CDEDLO C=C(CC)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC001348569810 966068035 /nfs/dbraw/zinc/06/80/35/966068035.db2.gz FWDZHGWVVYNNTP-CQSZACIVSA-N 1 2 284.425 1.277 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(OC)o2)CC1 ZINC000847415634 967432311 /nfs/dbraw/zinc/43/23/11/967432311.db2.gz BGSKYDCYQHPDPX-UHFFFAOYSA-N 1 2 262.309 1.069 20 30 CDEDLO C#CCNC(=O)C1CCN(c2ccc(CC)c[nH+]2)CC1 ZINC001354100490 968477359 /nfs/dbraw/zinc/47/73/59/968477359.db2.gz QAWZBXXBONUHKZ-UHFFFAOYSA-N 1 2 271.364 1.610 20 30 CDEDLO CC#CCN(C)c1nnnn1CCCc1cccc(C)[nH+]1 ZINC001355574314 969212315 /nfs/dbraw/zinc/21/23/15/969212315.db2.gz HXKCREYFOPFYLP-UHFFFAOYSA-N 1 2 284.367 1.469 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001372099906 972789635 /nfs/dbraw/zinc/78/96/35/972789635.db2.gz ZWXDGBODVIDFGQ-SNVBAGLBSA-N 1 2 297.790 1.025 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001372099906 972789647 /nfs/dbraw/zinc/78/96/47/972789647.db2.gz ZWXDGBODVIDFGQ-SNVBAGLBSA-N 1 2 297.790 1.025 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCC(=O)NCC ZINC001498239210 973771904 /nfs/dbraw/zinc/77/19/04/973771904.db2.gz LKSPFZXWBPCFIY-NSHDSACASA-N 1 2 289.807 1.092 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCC(=O)NCC ZINC001498239210 973771913 /nfs/dbraw/zinc/77/19/13/973771913.db2.gz LKSPFZXWBPCFIY-NSHDSACASA-N 1 2 289.807 1.092 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(C)sn1 ZINC001418454164 973854399 /nfs/dbraw/zinc/85/43/99/973854399.db2.gz IQTOFZLTFVKUMJ-UHFFFAOYSA-N 1 2 273.789 1.866 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(C)sn1 ZINC001418454164 973854411 /nfs/dbraw/zinc/85/44/11/973854411.db2.gz IQTOFZLTFVKUMJ-UHFFFAOYSA-N 1 2 273.789 1.866 20 30 CDEDLO C[C@@H](C#N)C(=O)NC1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001404720389 975469374 /nfs/dbraw/zinc/46/93/74/975469374.db2.gz IGGLPEBLTJOZJK-LBPRGKRZSA-N 1 2 283.375 1.635 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(COC)CCC2)C1 ZINC001398317677 975940686 /nfs/dbraw/zinc/94/06/86/975940686.db2.gz ZHJYBYBLXOLHCC-LBPRGKRZSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(COC)CCC2)C1 ZINC001398317677 975940693 /nfs/dbraw/zinc/94/06/93/975940693.db2.gz ZHJYBYBLXOLHCC-LBPRGKRZSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ncc2ccccn21 ZINC001399523760 976547130 /nfs/dbraw/zinc/54/71/30/976547130.db2.gz ITXWAYNSDYUWOI-UHFFFAOYSA-N 1 2 292.770 1.748 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ncc2ccccn21 ZINC001399523760 976547140 /nfs/dbraw/zinc/54/71/40/976547140.db2.gz ITXWAYNSDYUWOI-UHFFFAOYSA-N 1 2 292.770 1.748 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ncc(OC)cn1 ZINC001390941835 976613151 /nfs/dbraw/zinc/61/31/51/976613151.db2.gz YTGIUCIFSVKCNE-UHFFFAOYSA-N 1 2 298.774 1.289 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ncc(OC)cn1 ZINC001390941835 976613153 /nfs/dbraw/zinc/61/31/53/976613153.db2.gz YTGIUCIFSVKCNE-UHFFFAOYSA-N 1 2 298.774 1.289 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CC[C@@H]2CCCO2)C1 ZINC001391468566 976902793 /nfs/dbraw/zinc/90/27/93/976902793.db2.gz RFFMGHBOJBAGOQ-ZDUSSCGKSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cncnc1CC ZINC001381626338 976954217 /nfs/dbraw/zinc/95/42/17/976954217.db2.gz GDTVVNYZPCVOMY-LLVKDONJSA-N 1 2 296.802 1.842 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cncnc1CC ZINC001381626338 976954228 /nfs/dbraw/zinc/95/42/28/976954228.db2.gz GDTVVNYZPCVOMY-LLVKDONJSA-N 1 2 296.802 1.842 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)Cc2occc2C)C1 ZINC001400532153 977079662 /nfs/dbraw/zinc/07/96/62/977079662.db2.gz OLFASUZORGEVEU-UHFFFAOYSA-N 1 2 282.771 1.931 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccc(=O)[nH]c1 ZINC001403949793 977278182 /nfs/dbraw/zinc/27/81/82/977278182.db2.gz UVOYBDFUSMVAGL-UHFFFAOYSA-N 1 2 283.759 1.591 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccc(=O)[nH]c1 ZINC001403949793 977278190 /nfs/dbraw/zinc/27/81/90/977278190.db2.gz UVOYBDFUSMVAGL-UHFFFAOYSA-N 1 2 283.759 1.591 20 30 CDEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)COC ZINC001403975724 977291059 /nfs/dbraw/zinc/29/10/59/977291059.db2.gz ZMXPVPXDNJVVJZ-SNVBAGLBSA-N 1 2 291.189 1.122 20 30 CDEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)COC ZINC001403975724 977291065 /nfs/dbraw/zinc/29/10/65/977291065.db2.gz ZMXPVPXDNJVVJZ-SNVBAGLBSA-N 1 2 291.189 1.122 20 30 CDEDLO C=CC[NH+]1CCC([NH2+]Cc2ccc(C(=O)[O-])n2C)CC1 ZINC001588840057 984352154 /nfs/dbraw/zinc/35/21/54/984352154.db2.gz ZNUJIZQIYKUZQY-UHFFFAOYSA-N 1 2 277.368 1.463 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1cnsn1 ZINC001132569778 1163378478 /nfs/dbraw/zinc/37/84/78/1163378478.db2.gz YNOORPWXQHWWBB-VHSXEESVSA-N 1 2 268.386 1.202 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001132663035 1163428877 /nfs/dbraw/zinc/42/88/77/1163428877.db2.gz OGISLWWGVSLVJA-NSHDSACASA-N 1 2 280.372 1.440 20 30 CDEDLO CC1(C)C(=O)N(C[NH+]2CCC(C#N)CC2)[C@@H]1[C@@H]1CCCO1 ZINC000811740399 1163528225 /nfs/dbraw/zinc/52/82/25/1163528225.db2.gz VLFQVIUBVCYNBY-UONOGXRCSA-N 1 2 291.395 1.595 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccoc1C1CC1 ZINC000566976397 361761374 /nfs/dbraw/zinc/76/13/74/361761374.db2.gz MWJRICWTGNIQKF-CQSZACIVSA-N 1 2 261.325 1.731 20 30 CDEDLO C=C[C@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)C(=O)OC ZINC000591376600 342629285 /nfs/dbraw/zinc/62/92/85/342629285.db2.gz XBVOCJLWXNQNTC-NEPJUHHUSA-N 1 2 253.342 1.653 20 30 CDEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1[nH]cc[nH+]1 ZINC000125381701 187182768 /nfs/dbraw/zinc/18/27/68/187182768.db2.gz SGQQZMJXESKOFQ-UHFFFAOYSA-N 1 2 284.319 1.755 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NCCC2=CCCCC2)C1 ZINC000592146351 342673196 /nfs/dbraw/zinc/67/31/96/342673196.db2.gz BWOQDRGUGIJYNR-INIZCTEOSA-N 1 2 291.395 1.344 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NCCC2=CCCCC2)C1 ZINC000592146351 342673197 /nfs/dbraw/zinc/67/31/97/342673197.db2.gz BWOQDRGUGIJYNR-INIZCTEOSA-N 1 2 291.395 1.344 20 30 CDEDLO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146542 342673496 /nfs/dbraw/zinc/67/34/96/342673496.db2.gz CRTJEULQVQNEDP-CJNGLKHVSA-N 1 2 287.363 1.673 20 30 CDEDLO Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146542 342673497 /nfs/dbraw/zinc/67/34/97/342673497.db2.gz CRTJEULQVQNEDP-CJNGLKHVSA-N 1 2 287.363 1.673 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000592146901 342673814 /nfs/dbraw/zinc/67/38/14/342673814.db2.gz GVFMJHZVIYKEAU-CQSZACIVSA-N 1 2 257.293 1.678 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000592146901 342673815 /nfs/dbraw/zinc/67/38/15/342673815.db2.gz GVFMJHZVIYKEAU-CQSZACIVSA-N 1 2 257.293 1.678 20 30 CDEDLO Cc1nnc([C@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)s1 ZINC000592150830 342668838 /nfs/dbraw/zinc/66/88/38/342668838.db2.gz HKMHZRNJBMDZMH-GZMMTYOYSA-N 1 2 252.343 1.258 20 30 CDEDLO Cc1nnc([C@H](C)[N@H+]2CC[C@](O)(CC#N)C2)s1 ZINC000592150830 342668839 /nfs/dbraw/zinc/66/88/39/342668839.db2.gz HKMHZRNJBMDZMH-GZMMTYOYSA-N 1 2 252.343 1.258 20 30 CDEDLO C=CCCCCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000351693496 361867338 /nfs/dbraw/zinc/86/73/38/361867338.db2.gz PYAJMKYZNSBUKH-KBPBESRZSA-N 1 2 283.416 1.751 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1c(F)cc(C#N)cc1F ZINC000593154355 342774108 /nfs/dbraw/zinc/77/41/08/342774108.db2.gz JKTFDIHUEZGGFD-CQSZACIVSA-N 1 2 292.289 1.410 20 30 CDEDLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccc(C#N)c(C)n2)[nH+]1 ZINC000593734127 342830672 /nfs/dbraw/zinc/83/06/72/342830672.db2.gz UALUYEQSGDIBSB-UHFFFAOYSA-N 1 2 283.335 1.958 20 30 CDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000588668289 342218904 /nfs/dbraw/zinc/21/89/04/342218904.db2.gz OABIONOZUMUFIM-CYBMUJFWSA-N 1 2 289.383 1.035 20 30 CDEDLO COCCN(CCC#N)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000594274046 342884218 /nfs/dbraw/zinc/88/42/18/342884218.db2.gz UTMILMWLQBIAEJ-UHFFFAOYSA-N 1 2 286.335 1.645 20 30 CDEDLO CC[N@H+](CCC#N)Cc1ccc(S(=O)(=O)NC)cc1 ZINC000595334484 343029035 /nfs/dbraw/zinc/02/90/35/343029035.db2.gz QXUFMAUBINGRBT-UHFFFAOYSA-N 1 2 281.381 1.330 20 30 CDEDLO CC[N@@H+](CCC#N)Cc1ccc(S(=O)(=O)NC)cc1 ZINC000595334484 343029036 /nfs/dbraw/zinc/02/90/36/343029036.db2.gz QXUFMAUBINGRBT-UHFFFAOYSA-N 1 2 281.381 1.330 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)N1CCC[C@H](CC#N)C1 ZINC000595634434 343122748 /nfs/dbraw/zinc/12/27/48/343122748.db2.gz CHVUEXMQQSUCNY-GFCCVEGCSA-N 1 2 288.351 1.925 20 30 CDEDLO COC(=O)c1cnoc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595622822 343111745 /nfs/dbraw/zinc/11/17/45/343111745.db2.gz DQUCNKBKZWCNEI-SNVBAGLBSA-N 1 2 263.297 1.587 20 30 CDEDLO COC(=O)c1cnoc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595622822 343111748 /nfs/dbraw/zinc/11/17/48/343111748.db2.gz DQUCNKBKZWCNEI-SNVBAGLBSA-N 1 2 263.297 1.587 20 30 CDEDLO C[C@H](O)[C@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000595765898 343145103 /nfs/dbraw/zinc/14/51/03/343145103.db2.gz LDVWDRGNBRRACZ-GXSJLCMTSA-N 1 2 279.365 1.403 20 30 CDEDLO C[C@H](O)[C@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000595765898 343145104 /nfs/dbraw/zinc/14/51/04/343145104.db2.gz LDVWDRGNBRRACZ-GXSJLCMTSA-N 1 2 279.365 1.403 20 30 CDEDLO CCOC(=O)c1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)nc1 ZINC000595841287 343172948 /nfs/dbraw/zinc/17/29/48/343172948.db2.gz JXQHFFUNYYVHNG-OAHLLOKOSA-N 1 2 273.336 1.994 20 30 CDEDLO CCOC(=O)c1ccc(C[N@H+]2CC[C@](C)(C#N)C2)nc1 ZINC000595841287 343172949 /nfs/dbraw/zinc/17/29/49/343172949.db2.gz JXQHFFUNYYVHNG-OAHLLOKOSA-N 1 2 273.336 1.994 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)NCCCCC#N)[C@H](C)CO1 ZINC000596265201 343279395 /nfs/dbraw/zinc/27/93/95/343279395.db2.gz GUFDFQJISPZAFF-CHWSQXEVSA-N 1 2 282.388 1.089 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCCCCC#N)[C@H](C)CO1 ZINC000596265201 343279396 /nfs/dbraw/zinc/27/93/96/343279396.db2.gz GUFDFQJISPZAFF-CHWSQXEVSA-N 1 2 282.388 1.089 20 30 CDEDLO Cc1ccnc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c1C#N ZINC000596426452 343312010 /nfs/dbraw/zinc/31/20/10/343312010.db2.gz ABEKLNDXKIZBGL-STQMWFEESA-N 1 2 274.368 1.783 20 30 CDEDLO Cc1ccnc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c1C#N ZINC000596426452 343312012 /nfs/dbraw/zinc/31/20/12/343312012.db2.gz ABEKLNDXKIZBGL-STQMWFEESA-N 1 2 274.368 1.783 20 30 CDEDLO Cc1nnc(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c(C#N)c1C ZINC000596426917 343312107 /nfs/dbraw/zinc/31/21/07/343312107.db2.gz DBIXRKRPMWKJNC-GHMZBOCLSA-N 1 2 289.383 1.486 20 30 CDEDLO Cc1nnc(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c(C#N)c1C ZINC000596426917 343312108 /nfs/dbraw/zinc/31/21/08/343312108.db2.gz DBIXRKRPMWKJNC-GHMZBOCLSA-N 1 2 289.383 1.486 20 30 CDEDLO Cc1cc[nH+]cc1Cc1noc([C@H](C)n2cnc(C#N)n2)n1 ZINC000596617672 343357207 /nfs/dbraw/zinc/35/72/07/343357207.db2.gz WDNNJRVKEMPMSJ-JTQLQIEISA-N 1 2 295.306 1.436 20 30 CDEDLO CCN1CC[NH+]([C@@H]2CCN(c3cnccc3C#N)C2)CC1 ZINC000094156625 342430147 /nfs/dbraw/zinc/43/01/47/342430147.db2.gz VWCVVNXVVLGJJK-OAHLLOKOSA-N 1 2 285.395 1.169 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cc(C(=O)OCC)c(C)[nH]1 ZINC000294991752 199288233 /nfs/dbraw/zinc/28/82/33/199288233.db2.gz YDYPSZKSCOPSRB-UHFFFAOYSA-N 1 2 258.321 1.568 20 30 CDEDLO N#Cc1ccncc1N1CCN(c2cccc[nH+]2)CC1 ZINC000135588604 136392214 /nfs/dbraw/zinc/39/22/14/136392214.db2.gz MBIKPQUYGWGJGN-UHFFFAOYSA-N 1 2 265.320 1.675 20 30 CDEDLO N#Cc1cccc(C[NH+]2CCN(c3cnccn3)CC2)c1F ZINC000332382478 136408304 /nfs/dbraw/zinc/40/83/04/136408304.db2.gz OVDXEEHNYOPZNQ-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO CCC#C[C@H](C)[NH+]1CCN(Cc2cc(C)no2)CC1 ZINC000677047058 482517922 /nfs/dbraw/zinc/51/79/22/482517922.db2.gz QCLHVXKFERXIPI-AWEZNQCLSA-N 1 2 261.369 1.903 20 30 CDEDLO CCC#C[C@H](C)N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000677047058 482517925 /nfs/dbraw/zinc/51/79/25/482517925.db2.gz QCLHVXKFERXIPI-AWEZNQCLSA-N 1 2 261.369 1.903 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(=O)NCCCC)C1 ZINC000619717027 349867825 /nfs/dbraw/zinc/86/78/25/349867825.db2.gz MSUJGSOYQVCWPO-CHWSQXEVSA-N 1 2 282.384 1.342 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](C(=O)NCCCC)C1 ZINC000619717027 349867827 /nfs/dbraw/zinc/86/78/27/349867827.db2.gz MSUJGSOYQVCWPO-CHWSQXEVSA-N 1 2 282.384 1.342 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+](C)CC1(O)CCCCCC1 ZINC000619721832 349872113 /nfs/dbraw/zinc/87/21/13/349872113.db2.gz ITWULFWVMNSGBR-GFCCVEGCSA-N 1 2 255.358 1.731 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CC1(O)CCCCCC1 ZINC000619721832 349872117 /nfs/dbraw/zinc/87/21/17/349872117.db2.gz ITWULFWVMNSGBR-GFCCVEGCSA-N 1 2 255.358 1.731 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000619721897 349872309 /nfs/dbraw/zinc/87/23/09/349872309.db2.gz YQUCRJFWKLWXMY-CJNGLKHVSA-N 1 2 286.331 1.310 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000619721897 349872312 /nfs/dbraw/zinc/87/23/12/349872312.db2.gz YQUCRJFWKLWXMY-CJNGLKHVSA-N 1 2 286.331 1.310 20 30 CDEDLO CC(C)(C(=O)NC[C@@H]1CCCN(CC#N)C1)c1c[nH]c[nH+]1 ZINC000598687644 343866541 /nfs/dbraw/zinc/86/65/41/343866541.db2.gz PHJQJTRNVBDUQD-LBPRGKRZSA-N 1 2 289.383 1.039 20 30 CDEDLO COCc1csc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000598836657 343914509 /nfs/dbraw/zinc/91/45/09/343914509.db2.gz OKKQYLDNJWIMTF-CYBMUJFWSA-N 1 2 281.381 1.468 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619780161 349900332 /nfs/dbraw/zinc/90/03/32/349900332.db2.gz BIGQDIXMKUDVJG-UHFFFAOYSA-N 1 2 288.738 1.804 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000599951244 344156880 /nfs/dbraw/zinc/15/68/80/344156880.db2.gz BUQYPLFSTOKGHQ-UHFFFAOYSA-N 1 2 267.292 1.183 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000599951244 344156882 /nfs/dbraw/zinc/15/68/82/344156882.db2.gz BUQYPLFSTOKGHQ-UHFFFAOYSA-N 1 2 267.292 1.183 20 30 CDEDLO C[C@@H](C#N)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601851300 344271773 /nfs/dbraw/zinc/27/17/73/344271773.db2.gz KOPPRFVHMIGCMF-NSHDSACASA-N 1 2 290.392 1.411 20 30 CDEDLO C=CCC[C@@H]([NH2+][C@H](C)Cc1cnccn1)C(=O)OCC ZINC000602683814 344529477 /nfs/dbraw/zinc/52/94/77/344529477.db2.gz WCQFZWAIBNAVIY-TZMCWYRMSA-N 1 2 277.368 1.895 20 30 CDEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccns2)CC1 ZINC000602795147 344585995 /nfs/dbraw/zinc/58/59/95/344585995.db2.gz MBRHVAZSXUCDLC-CYBMUJFWSA-N 1 2 264.398 1.809 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCCC1CCCCC1 ZINC000602860190 344616103 /nfs/dbraw/zinc/61/61/03/344616103.db2.gz BUQMWMNGFQWDFY-LBPRGKRZSA-N 1 2 251.374 1.965 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCCc1ccc(F)cc1 ZINC000602861948 344617192 /nfs/dbraw/zinc/61/71/92/344617192.db2.gz IFYDGPCZTUTLBD-NSHDSACASA-N 1 2 263.316 1.376 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1c2ccccc2C[C@H]1C ZINC000602861706 344617365 /nfs/dbraw/zinc/61/73/65/344617365.db2.gz HUGWYBUPDLJFLB-NWDGAFQWSA-N 1 2 257.337 1.856 20 30 CDEDLO COc1ccccc1CNC(=O)C[NH2+][C@@H](C)CC#N ZINC000602863144 344617754 /nfs/dbraw/zinc/61/77/54/344617754.db2.gz LTXPOSQIMCREGF-NSHDSACASA-N 1 2 261.325 1.203 20 30 CDEDLO N#CCC1(C[NH+]2CCN(c3cnccc3C#N)CC2)CC1 ZINC000602840541 344621807 /nfs/dbraw/zinc/62/18/07/344621807.db2.gz NQRQXLJSBBTEBG-UHFFFAOYSA-N 1 2 281.363 1.769 20 30 CDEDLO CCc1nc(NC(=O)C[NH2+][C@@H](C)CC#N)sc1C ZINC000602869369 344640480 /nfs/dbraw/zinc/64/04/80/344640480.db2.gz NPVMYARSFHIADL-QMMMGPOBSA-N 1 2 266.370 1.844 20 30 CDEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N)c1 ZINC000602869372 344640669 /nfs/dbraw/zinc/64/06/69/344640669.db2.gz NQMCYVPSYSREGF-QWRGUYRKSA-N 1 2 288.351 1.864 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612165904 347067444 /nfs/dbraw/zinc/06/74/44/347067444.db2.gz RFPMLZPFHJTNDA-RISCZKNCSA-N 1 2 278.356 1.012 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612165904 347067446 /nfs/dbraw/zinc/06/74/46/347067446.db2.gz RFPMLZPFHJTNDA-RISCZKNCSA-N 1 2 278.356 1.012 20 30 CDEDLO C[C@H](C(=O)Nc1cc(CC#N)ccn1)[NH+]1CC(C)C1 ZINC000573695726 334958817 /nfs/dbraw/zinc/95/88/17/334958817.db2.gz HWGGBTSXGGZDRT-LLVKDONJSA-N 1 2 258.325 1.426 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000106239968 345766912 /nfs/dbraw/zinc/76/69/12/345766912.db2.gz IYZMWAUIWXAQFK-BDAKNGLRSA-N 1 2 282.369 1.194 20 30 CDEDLO COCC#CC[NH+]1CCN(c2ccccc2F)CC1 ZINC000677133105 482542468 /nfs/dbraw/zinc/54/24/68/482542468.db2.gz HROFYBMTTMVZTN-UHFFFAOYSA-N 1 2 262.328 1.598 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617721601 345926471 /nfs/dbraw/zinc/92/64/71/345926471.db2.gz ROKVALVBCUVBJA-VXGBXAGGSA-N 1 2 254.374 1.424 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617721601 345926474 /nfs/dbraw/zinc/92/64/74/345926474.db2.gz ROKVALVBCUVBJA-VXGBXAGGSA-N 1 2 254.374 1.424 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617722867 345934496 /nfs/dbraw/zinc/93/44/96/345934496.db2.gz GHSBSDMGYZPNHB-CHWSQXEVSA-N 1 2 268.401 1.814 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617722867 345934498 /nfs/dbraw/zinc/93/44/98/345934498.db2.gz GHSBSDMGYZPNHB-CHWSQXEVSA-N 1 2 268.401 1.814 20 30 CDEDLO C#CCNC(=O)[C@@H](C)N1CC[NH+](Cc2ccsc2)CC1 ZINC000042531949 345985639 /nfs/dbraw/zinc/98/56/39/345985639.db2.gz YKEGPOFKTUCJHP-CYBMUJFWSA-N 1 2 291.420 1.004 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccsc2)CC1 ZINC000042531949 345985640 /nfs/dbraw/zinc/98/56/40/345985640.db2.gz YKEGPOFKTUCJHP-CYBMUJFWSA-N 1 2 291.420 1.004 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000049442873 345992913 /nfs/dbraw/zinc/99/29/13/345992913.db2.gz DLFCLYGRYUIQSR-UHFFFAOYSA-N 1 2 274.324 1.626 20 30 CDEDLO Nc1ncc2c(n1)C[N@@H+](CC#Cc1ccc(F)cc1)CC2 ZINC000623293043 346011398 /nfs/dbraw/zinc/01/13/98/346011398.db2.gz KGSGQDJTZZBTME-UHFFFAOYSA-N 1 2 282.322 1.438 20 30 CDEDLO Nc1ncc2c(n1)C[N@H+](CC#Cc1ccc(F)cc1)CC2 ZINC000623293043 346011401 /nfs/dbraw/zinc/01/14/01/346011401.db2.gz KGSGQDJTZZBTME-UHFFFAOYSA-N 1 2 282.322 1.438 20 30 CDEDLO N#Cc1ccc(C[NH2+]Cc2nnnn2C2CC2)s1 ZINC000610512325 346300890 /nfs/dbraw/zinc/30/08/90/346300890.db2.gz XTGZNUQRWFYVCU-UHFFFAOYSA-N 1 2 260.326 1.231 20 30 CDEDLO N#CCCN(CC1CC1)C(=O)CCCn1cc[nH+]c1 ZINC000104414172 346480815 /nfs/dbraw/zinc/48/08/15/346480815.db2.gz LJBISVRYJLXBBM-UHFFFAOYSA-N 1 2 260.341 1.816 20 30 CDEDLO C[C@@H]1COCCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000610991110 346567715 /nfs/dbraw/zinc/56/77/15/346567715.db2.gz HYABRONBCYTSNX-SNVBAGLBSA-N 1 2 279.365 1.669 20 30 CDEDLO C[C@@H]1COCCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000610991110 346567720 /nfs/dbraw/zinc/56/77/20/346567720.db2.gz HYABRONBCYTSNX-SNVBAGLBSA-N 1 2 279.365 1.669 20 30 CDEDLO N#CCC[N@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000611290074 346737152 /nfs/dbraw/zinc/73/71/52/346737152.db2.gz OGLDFYHMPWDPDX-CYBMUJFWSA-N 1 2 269.414 1.040 20 30 CDEDLO N#CCC[N@@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000611290074 346737154 /nfs/dbraw/zinc/73/71/54/346737154.db2.gz OGLDFYHMPWDPDX-CYBMUJFWSA-N 1 2 269.414 1.040 20 30 CDEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@]2(C#N)C[C@H]2C)CC1 ZINC000449868566 362776472 /nfs/dbraw/zinc/77/64/72/362776472.db2.gz IWYAIKQVBPVYDQ-CKEIUWERSA-N 1 2 298.390 1.837 20 30 CDEDLO COc1c(C)c[nH+]c(Cn2nc(C)c(C)c(C#N)c2=O)c1C ZINC000169990129 362813538 /nfs/dbraw/zinc/81/35/38/362813538.db2.gz TVARKQZZIXUYIP-UHFFFAOYSA-N 1 2 298.346 1.801 20 30 CDEDLO C=CC[C@H](CO)CNc1nc(NC)c2ccccc2[nH+]1 ZINC000450424034 362822813 /nfs/dbraw/zinc/82/28/13/362822813.db2.gz QBUIFAMUZOZXJB-NSHDSACASA-N 1 2 272.352 1.112 20 30 CDEDLO N#CCNC(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000066472972 347488614 /nfs/dbraw/zinc/48/86/14/347488614.db2.gz DJQHMZMZHLVNHN-INIZCTEOSA-N 1 2 280.331 1.400 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000066895322 347545817 /nfs/dbraw/zinc/54/58/17/347545817.db2.gz KPXIOOCBBYRTGG-GFCCVEGCSA-N 1 2 251.330 1.371 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C)cc2C)CC1 ZINC000490779216 347577449 /nfs/dbraw/zinc/57/74/49/347577449.db2.gz SVNLIIYUTPFARF-UHFFFAOYSA-N 1 2 285.391 1.493 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CSC2CCCCC2)CC1 ZINC000490778625 347577681 /nfs/dbraw/zinc/57/76/81/347577681.db2.gz HVKNQSAQXPNTON-UHFFFAOYSA-N 1 2 280.437 1.830 20 30 CDEDLO CC(C)[C@H](C(=O)N=c1[nH][nH]cc1C#N)[NH+]1CCCCC1 ZINC000601638983 349982576 /nfs/dbraw/zinc/98/25/76/349982576.db2.gz FVMFFEZSFIGJRF-GFCCVEGCSA-N 1 2 275.356 1.152 20 30 CDEDLO N#Cc1c[nH][nH]c1=NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000601639290 349982632 /nfs/dbraw/zinc/98/26/32/349982632.db2.gz NEHXNOOZZUFOMZ-CYBMUJFWSA-N 1 2 295.346 1.164 20 30 CDEDLO N#Cc1c[nH][nH]c1=NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000601639290 349982636 /nfs/dbraw/zinc/98/26/36/349982636.db2.gz NEHXNOOZZUFOMZ-CYBMUJFWSA-N 1 2 295.346 1.164 20 30 CDEDLO Cc1ccnc(N(C)CCCn2cc[nH+]c2)c1C#N ZINC000273425480 192145957 /nfs/dbraw/zinc/14/59/57/192145957.db2.gz ZMLDQVHBLLCAAV-UHFFFAOYSA-N 1 2 255.325 1.985 20 30 CDEDLO Cc1cccn2cc(CC(=O)N3CC[C@](F)(C#N)C3)[nH+]c12 ZINC000615662627 348629333 /nfs/dbraw/zinc/62/93/33/348629333.db2.gz WLBMNBGNWWVOGI-HNNXBMFYSA-N 1 2 286.310 1.649 20 30 CDEDLO CC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000263696742 362941186 /nfs/dbraw/zinc/94/11/86/362941186.db2.gz MNOZOXCLLPLGGS-IUODEOHRSA-N 1 2 290.363 1.720 20 30 CDEDLO CC(=O)c1cccc(OC[C@H](O)C[N@H+](C)C[C@H](C)C#N)c1 ZINC000263696742 362941194 /nfs/dbraw/zinc/94/11/94/362941194.db2.gz MNOZOXCLLPLGGS-IUODEOHRSA-N 1 2 290.363 1.720 20 30 CDEDLO Cn1cc(CCC/[NH+]=C/c2cccc(O)c2O)cn1 ZINC000263785244 362944363 /nfs/dbraw/zinc/94/43/63/362944363.db2.gz PFBQKVOZBPFNMA-OQLLNIDSSA-N 1 2 259.309 1.883 20 30 CDEDLO N#Cc1cccc(C[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000602427772 350108440 /nfs/dbraw/zinc/10/84/40/350108440.db2.gz AXWVAXDRVYJLKH-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO N#Cc1cccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)n1 ZINC000602674420 350140537 /nfs/dbraw/zinc/14/05/37/350140537.db2.gz QCDHJIKZECTLJM-UHFFFAOYSA-N 1 2 254.297 1.239 20 30 CDEDLO N#Cc1ccc(C[N@@H+](CC(=O)Nc2ccon2)C2CC2)cc1 ZINC000604492239 350367057 /nfs/dbraw/zinc/36/70/57/350367057.db2.gz VOAYKFVPOFWCCU-UHFFFAOYSA-N 1 2 296.330 1.571 20 30 CDEDLO N#Cc1ccc(C[N@H+](CC(=O)Nc2ccon2)C2CC2)cc1 ZINC000604492239 350367060 /nfs/dbraw/zinc/36/70/60/350367060.db2.gz VOAYKFVPOFWCCU-UHFFFAOYSA-N 1 2 296.330 1.571 20 30 CDEDLO Cc1nc(N[C@H](C)C[NH+]2CCOCC2)ccc1C#N ZINC000291710138 198066322 /nfs/dbraw/zinc/06/63/22/198066322.db2.gz VMWJXSNSCYNCDG-LLVKDONJSA-N 1 2 260.341 1.394 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000292343496 198252486 /nfs/dbraw/zinc/25/24/86/198252486.db2.gz VBBJFAMNZHPIAZ-CQSZACIVSA-N 1 2 295.379 1.544 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000292343496 198252488 /nfs/dbraw/zinc/25/24/88/198252488.db2.gz VBBJFAMNZHPIAZ-CQSZACIVSA-N 1 2 295.379 1.544 20 30 CDEDLO COC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000156112067 188243002 /nfs/dbraw/zinc/24/30/02/188243002.db2.gz JHDVCEGKCOKLNR-KGLIPLIRSA-N 1 2 274.320 1.229 20 30 CDEDLO COC(=O)[C@H]1CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000156112067 188243003 /nfs/dbraw/zinc/24/30/03/188243003.db2.gz JHDVCEGKCOKLNR-KGLIPLIRSA-N 1 2 274.320 1.229 20 30 CDEDLO C[C@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000157189109 188302269 /nfs/dbraw/zinc/30/22/69/188302269.db2.gz PPRJGDKUYZSMKB-SMDDNHRTSA-N 1 2 278.327 1.669 20 30 CDEDLO C[C@H](O)C[C@@H]1COCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000157189109 188302271 /nfs/dbraw/zinc/30/22/71/188302271.db2.gz PPRJGDKUYZSMKB-SMDDNHRTSA-N 1 2 278.327 1.669 20 30 CDEDLO Cc1ccc(/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C)nc1 ZINC000493217092 366203670 /nfs/dbraw/zinc/20/36/70/366203670.db2.gz CKAXHPVUQNJKTF-ZPIQOJFGSA-N 1 2 272.352 1.363 20 30 CDEDLO C=CCC[C@@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C(=O)OCC ZINC000493113132 366193553 /nfs/dbraw/zinc/19/35/53/366193553.db2.gz FMWQQEOCDWFCPU-WSKFYRRCSA-N 1 2 277.324 1.437 20 30 CDEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC000533377734 356213260 /nfs/dbraw/zinc/21/32/60/356213260.db2.gz JJRNZSBWHCBCAB-CQSZACIVSA-N 1 2 297.362 1.350 20 30 CDEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC(=O)NCC#N ZINC000533377734 356213263 /nfs/dbraw/zinc/21/32/63/356213263.db2.gz JJRNZSBWHCBCAB-CQSZACIVSA-N 1 2 297.362 1.350 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187879674 356314401 /nfs/dbraw/zinc/31/44/01/356314401.db2.gz MWPDPJDCWGLSAY-MRVPVSSYSA-N 1 2 270.279 1.623 20 30 CDEDLO Cc1nn(C)cc1[C@H](C)NC(=O)N1CCn2cc[nH+]c2C1 ZINC000329841456 538695519 /nfs/dbraw/zinc/69/55/19/538695519.db2.gz NNNVNNFEIDLWGW-JTQLQIEISA-N 1 2 288.355 1.416 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)CSc1nc(N)cc(C)[nH+]1 ZINC000048597368 356967162 /nfs/dbraw/zinc/96/71/62/356967162.db2.gz YIDWUGOECWBPSO-SECBINFHSA-N 1 2 293.396 1.468 20 30 CDEDLO N#Cc1cc(NC(=O)CCc2[nH]cc[nH+]2)ccc1F ZINC000344180328 356959026 /nfs/dbraw/zinc/95/90/26/356959026.db2.gz XNCATUUDUVLOHS-UHFFFAOYSA-N 1 2 258.256 1.992 20 30 CDEDLO CCOC(=O)[C@H]1CCC[N@@H+]1CCOc1ccccc1C#N ZINC000182271706 357427385 /nfs/dbraw/zinc/42/73/85/357427385.db2.gz QVGSQMSLQKZFGV-CQSZACIVSA-N 1 2 288.347 1.965 20 30 CDEDLO CCOC(=O)[C@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC000182271706 357427389 /nfs/dbraw/zinc/42/73/89/357427389.db2.gz QVGSQMSLQKZFGV-CQSZACIVSA-N 1 2 288.347 1.965 20 30 CDEDLO CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000334640056 357607850 /nfs/dbraw/zinc/60/78/50/357607850.db2.gz UIUWKPQJTWSZFO-UHFFFAOYSA-N 1 2 290.342 1.591 20 30 CDEDLO CN1CC[C@@H]([NH+]2CCN([C@H](C#N)c3ccccc3)CC2)C1=O ZINC000080904771 358108324 /nfs/dbraw/zinc/10/83/24/358108324.db2.gz IXRBYPCWNTVDKM-HZPDHXFCSA-N 1 2 298.390 1.100 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1cccc(C#N)n1)C1CC1 ZINC000567108828 358628578 /nfs/dbraw/zinc/62/85/78/358628578.db2.gz BPBYCPZPOSDUMU-ZDUSSCGKSA-N 1 2 296.334 1.960 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000494886201 366513749 /nfs/dbraw/zinc/51/37/49/366513749.db2.gz NDRSWKTWCLRICA-SOUVJXGZSA-N 1 2 295.427 1.846 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CC(F)(F)F ZINC000346542358 359023825 /nfs/dbraw/zinc/02/38/25/359023825.db2.gz YVJXHIFEUNFZQO-UHFFFAOYSA-N 1 2 293.289 1.013 20 30 CDEDLO CC(C)[C@@H](NC(=O)c1cnn(C)c1C#N)c1[nH]cc[nH+]1 ZINC000338880718 359192196 /nfs/dbraw/zinc/19/21/96/359192196.db2.gz PGNSTHQXWOKMMT-LLVKDONJSA-N 1 2 272.312 1.142 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2sccc2OC)CC1 ZINC000264269085 359306628 /nfs/dbraw/zinc/30/66/28/359306628.db2.gz APMINAUCBXYFLC-UHFFFAOYSA-N 1 2 278.377 1.538 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@@H](CO)C2)c1 ZINC000271180921 359420689 /nfs/dbraw/zinc/42/06/89/359420689.db2.gz MEAPIYOVSCSAFZ-OAHLLOKOSA-N 1 2 263.337 1.445 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2CCO[C@@H](CO)C2)c1 ZINC000271180921 359420695 /nfs/dbraw/zinc/42/06/95/359420695.db2.gz MEAPIYOVSCSAFZ-OAHLLOKOSA-N 1 2 263.337 1.445 20 30 CDEDLO C#CCOc1ccc(CNC(=O)CCn2cc[nH+]c2)cc1 ZINC000296856263 200017542 /nfs/dbraw/zinc/01/75/42/200017542.db2.gz FDQCZKQHPRFIRV-UHFFFAOYSA-N 1 2 283.331 1.602 20 30 CDEDLO COC(=O)[C@@]1([NH2+]CCCC(C)(C)C#N)CCOC1 ZINC000348077652 359820131 /nfs/dbraw/zinc/82/01/31/359820131.db2.gz PZYWDFOUDVPBIM-CYBMUJFWSA-N 1 2 254.330 1.238 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccnn1C ZINC000348396940 360050265 /nfs/dbraw/zinc/05/02/65/360050265.db2.gz GOCBCNYQNINJGL-DOMZBBRYSA-N 1 2 291.399 1.295 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccnn1C ZINC000348396940 360050270 /nfs/dbraw/zinc/05/02/70/360050270.db2.gz GOCBCNYQNINJGL-DOMZBBRYSA-N 1 2 291.399 1.295 20 30 CDEDLO CN(C(=O)C[NH+]1CCC(C#N)CC1)c1ccccc1 ZINC000057907944 360166878 /nfs/dbraw/zinc/16/68/78/360166878.db2.gz YLTQTOGTSMSJNW-UHFFFAOYSA-N 1 2 257.337 1.885 20 30 CDEDLO N#CC1(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000515198486 360451689 /nfs/dbraw/zinc/45/16/89/360451689.db2.gz CYAGOEMIYRTAIB-NSHDSACASA-N 1 2 273.340 1.602 20 30 CDEDLO C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000177724271 189065765 /nfs/dbraw/zinc/06/57/65/189065765.db2.gz OOVWXJXFVBFNIN-RISCZKNCSA-N 1 2 283.335 1.806 20 30 CDEDLO C#CCCCCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177973539 189082208 /nfs/dbraw/zinc/08/22/08/189082208.db2.gz MLVOZMYCQGCEGX-UHFFFAOYSA-N 1 2 270.336 1.937 20 30 CDEDLO C#CCCCCC(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000180265381 189247421 /nfs/dbraw/zinc/24/74/21/189247421.db2.gz DBABHLWGPGSHPQ-ZDUSSCGKSA-N 1 2 293.436 1.816 20 30 CDEDLO C=CCC(C)(C)CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000432093178 361104799 /nfs/dbraw/zinc/10/47/99/361104799.db2.gz CDNWJFCRIBHUEW-ZDUSSCGKSA-N 1 2 283.416 1.609 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000432097254 361106033 /nfs/dbraw/zinc/10/60/33/361106033.db2.gz LHMDQKJVTIQWCT-ZDUSSCGKSA-N 1 2 283.416 1.609 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000432097254 361106037 /nfs/dbraw/zinc/10/60/37/361106037.db2.gz LHMDQKJVTIQWCT-ZDUSSCGKSA-N 1 2 283.416 1.609 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)Cc1cnc(N2CCCC2)nc1 ZINC000536641464 361312128 /nfs/dbraw/zinc/31/21/28/361312128.db2.gz KYYDXPISXUPDOR-LBPRGKRZSA-N 1 2 259.357 1.668 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cnc(N2CCCC2)nc1 ZINC000536641464 361312132 /nfs/dbraw/zinc/31/21/32/361312132.db2.gz KYYDXPISXUPDOR-LBPRGKRZSA-N 1 2 259.357 1.668 20 30 CDEDLO C=CCCCCNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000434371197 361324014 /nfs/dbraw/zinc/32/40/14/361324014.db2.gz RYOPTRMOTAZPHC-CQSZACIVSA-N 1 2 283.416 1.705 20 30 CDEDLO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C#N)o2)s1 ZINC000345466300 361442785 /nfs/dbraw/zinc/44/27/85/361442785.db2.gz WDXPYVYUXFWIIO-UHFFFAOYSA-N 1 2 296.373 1.906 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000329346584 361485904 /nfs/dbraw/zinc/48/59/04/361485904.db2.gz CFYRCMCVXUTLLW-LBPRGKRZSA-N 1 2 292.383 1.868 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000248506963 361560134 /nfs/dbraw/zinc/56/01/34/361560134.db2.gz XAAGIXRUIFYJPR-KPZWWZAWSA-N 1 2 274.430 1.110 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000248506963 361560136 /nfs/dbraw/zinc/56/01/36/361560136.db2.gz XAAGIXRUIFYJPR-KPZWWZAWSA-N 1 2 274.430 1.110 20 30 CDEDLO Cn1cc([C@H](CO)[NH2+]Cc2ccc(C#N)cc2F)cn1 ZINC000270138800 239007459 /nfs/dbraw/zinc/00/74/59/239007459.db2.gz ARKWANNISQLVRA-AWEZNQCLSA-N 1 2 274.299 1.254 20 30 CDEDLO CN(CCCc1[nH]nc(N)c1C#N)c1[nH]c2ccccc2[nH+]1 ZINC000301899993 201253315 /nfs/dbraw/zinc/25/33/15/201253315.db2.gz YPQACONWSCWINW-UHFFFAOYSA-N 1 2 295.350 1.809 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456206685 364006784 /nfs/dbraw/zinc/00/67/84/364006784.db2.gz RGUGHNDXNPNIGR-TXEJJXNPSA-N 1 2 289.335 1.053 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456206685 364006788 /nfs/dbraw/zinc/00/67/88/364006788.db2.gz RGUGHNDXNPNIGR-TXEJJXNPSA-N 1 2 289.335 1.053 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(F)cn3)CC2)nc1 ZINC000582368074 364080347 /nfs/dbraw/zinc/08/03/47/364080347.db2.gz UJEGGXYEBUEYOF-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000581889879 364050458 /nfs/dbraw/zinc/05/04/58/364050458.db2.gz PISFNTUEOMXUHL-UHFFFAOYSA-N 1 2 258.281 1.848 20 30 CDEDLO N#Cc1cc2c(nc1NCCn1cc[nH+]c1)CCC2 ZINC000042246629 364550317 /nfs/dbraw/zinc/55/03/17/364550317.db2.gz FIWZGIBSNDNPDA-UHFFFAOYSA-N 1 2 253.309 1.751 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000042422118 364583486 /nfs/dbraw/zinc/58/34/86/364583486.db2.gz QJDAZBPVYQDMAX-AWEZNQCLSA-N 1 2 275.327 1.798 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000042422118 364583494 /nfs/dbraw/zinc/58/34/94/364583494.db2.gz QJDAZBPVYQDMAX-AWEZNQCLSA-N 1 2 275.327 1.798 20 30 CDEDLO Cn1cc(C#N)cc1C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367083874 364776839 /nfs/dbraw/zinc/77/68/39/364776839.db2.gz JMUVHUZMKPLECQ-AWEZNQCLSA-N 1 2 295.346 1.078 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1CCc1cccc(OC(F)(F)F)c1 ZINC001580045462 1172332674 /nfs/dbraw/zinc/33/26/74/1172332674.db2.gz UMUQXDHLKZASCR-LBPRGKRZSA-N 1 2 299.296 1.925 20 30 CDEDLO C=CC[N@@H+](C[C@H](OC)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000637962437 367286769 /nfs/dbraw/zinc/28/67/69/367286769.db2.gz MOOFHLDKZSUMNT-MJBXVCDLSA-N 1 2 289.441 1.723 20 30 CDEDLO C=CC[N@H+](C[C@H](OC)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000637962437 367286777 /nfs/dbraw/zinc/28/67/77/367286777.db2.gz MOOFHLDKZSUMNT-MJBXVCDLSA-N 1 2 289.441 1.723 20 30 CDEDLO Cc1noc(C23CC(C2)C[N@@H+]3[C@H]2CC[C@H](C#N)C2)n1 ZINC000528625801 367924111 /nfs/dbraw/zinc/92/41/11/367924111.db2.gz YVOHXIQXBHECMW-ATWGWHJKSA-N 1 2 258.325 1.991 20 30 CDEDLO Cc1noc(C23CC(C2)C[N@H+]3[C@H]2CC[C@H](C#N)C2)n1 ZINC000528625801 367924116 /nfs/dbraw/zinc/92/41/16/367924116.db2.gz YVOHXIQXBHECMW-ATWGWHJKSA-N 1 2 258.325 1.991 20 30 CDEDLO COc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(OC)c1 ZINC000555482763 370234071 /nfs/dbraw/zinc/23/40/71/370234071.db2.gz KLMWLDBYQXDAJY-HNNXBMFYSA-N 1 2 291.351 1.277 20 30 CDEDLO CN(C)C(=O)C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000371782114 370407958 /nfs/dbraw/zinc/40/79/58/370407958.db2.gz SITJFKCJMCSIFZ-GJZGRUSLSA-N 1 2 271.364 1.846 20 30 CDEDLO CN(C)C(=O)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000371782114 370407964 /nfs/dbraw/zinc/40/79/64/370407964.db2.gz SITJFKCJMCSIFZ-GJZGRUSLSA-N 1 2 271.364 1.846 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(OC(F)F)cc1 ZINC000565927553 370566209 /nfs/dbraw/zinc/56/62/09/370566209.db2.gz WUYOBNLOLPHADA-CQSZACIVSA-N 1 2 297.305 1.862 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCC(=O)OC(C)(C)C ZINC000565954302 370574879 /nfs/dbraw/zinc/57/48/79/370574879.db2.gz LTNCRUIBDRBNFO-CQSZACIVSA-N 1 2 283.372 1.068 20 30 CDEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+](CCC#N)CC(C)(C)C ZINC000156172444 371043085 /nfs/dbraw/zinc/04/30/85/371043085.db2.gz SUGGHTROQYXHMK-NSHDSACASA-N 1 2 282.388 1.482 20 30 CDEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+](CCC#N)CC(C)(C)C ZINC000156172444 371043090 /nfs/dbraw/zinc/04/30/90/371043090.db2.gz SUGGHTROQYXHMK-NSHDSACASA-N 1 2 282.388 1.482 20 30 CDEDLO CCOc1cccc(NC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000568384414 371222759 /nfs/dbraw/zinc/22/27/59/371222759.db2.gz FMBHLEADLQUOKJ-AWEZNQCLSA-N 1 2 277.368 1.704 20 30 CDEDLO CCOc1cccc(NC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000568384414 371222761 /nfs/dbraw/zinc/22/27/61/371222761.db2.gz FMBHLEADLQUOKJ-AWEZNQCLSA-N 1 2 277.368 1.704 20 30 CDEDLO N#CCC[NH2+][C@@H]1CCN(CCCc2ccccc2)C1=O ZINC000568991007 371233947 /nfs/dbraw/zinc/23/39/47/371233947.db2.gz JBPHSZVEMJEZLX-OAHLLOKOSA-N 1 2 271.364 1.723 20 30 CDEDLO C=CCCC(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000173072631 372450358 /nfs/dbraw/zinc/45/03/58/372450358.db2.gz XMFUFNLBWWHPEB-NSHDSACASA-N 1 2 267.398 1.588 20 30 CDEDLO C#CCOc1ccc(F)cc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000173254413 372463098 /nfs/dbraw/zinc/46/30/98/372463098.db2.gz QIFQWKQGYZHAPV-CQSZACIVSA-N 1 2 292.310 1.107 20 30 CDEDLO C#CCOc1ccc(F)cc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000173254413 372463108 /nfs/dbraw/zinc/46/31/08/372463108.db2.gz QIFQWKQGYZHAPV-CQSZACIVSA-N 1 2 292.310 1.107 20 30 CDEDLO N#CCC[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000579584417 372600968 /nfs/dbraw/zinc/60/09/68/372600968.db2.gz FHSIZISLCBLAPA-UHFFFAOYSA-N 1 2 279.365 1.230 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1ccc(C#N)cc1 ZINC000579599794 372602283 /nfs/dbraw/zinc/60/22/83/372602283.db2.gz ZFFFBMVKPTXKFL-INIZCTEOSA-N 1 2 284.363 1.451 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000578839156 372546369 /nfs/dbraw/zinc/54/63/69/372546369.db2.gz QMJRUVCBHJDNFU-NEPJUHHUSA-N 1 2 272.308 1.799 20 30 CDEDLO Cc1noc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)n1 ZINC000348109237 373003631 /nfs/dbraw/zinc/00/36/31/373003631.db2.gz KQORSJIXTZLSEK-VHSXEESVSA-N 1 2 299.334 1.928 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000491241945 261385234 /nfs/dbraw/zinc/38/52/34/261385234.db2.gz MMKZRRPJBCKQQO-LLVKDONJSA-N 1 2 255.321 1.120 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000491241945 261385237 /nfs/dbraw/zinc/38/52/37/261385237.db2.gz MMKZRRPJBCKQQO-LLVKDONJSA-N 1 2 255.321 1.120 20 30 CDEDLO C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1Cc1nc(C#N)cs1 ZINC000356258778 373834912 /nfs/dbraw/zinc/83/49/12/373834912.db2.gz MJKAMNXHDICMJI-AAEUAGOBSA-N 1 2 292.408 1.310 20 30 CDEDLO C[C@H]1[C@@H](N2CCOCC2)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000356258778 373834919 /nfs/dbraw/zinc/83/49/19/373834919.db2.gz MJKAMNXHDICMJI-AAEUAGOBSA-N 1 2 292.408 1.310 20 30 CDEDLO C[C@H]1[C@@H](N2CCOCC2)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000356258778 373834926 /nfs/dbraw/zinc/83/49/26/373834926.db2.gz MJKAMNXHDICMJI-AAEUAGOBSA-N 1 2 292.408 1.310 20 30 CDEDLO Cc1nc(C)c(C#N)c(SCc2[nH+]ccn2C)n1 ZINC000299019525 373883723 /nfs/dbraw/zinc/88/37/23/373883723.db2.gz FSAUFXRKBXZCRF-UHFFFAOYSA-N 1 2 259.338 1.991 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000341663232 373849916 /nfs/dbraw/zinc/84/99/16/373849916.db2.gz ZHZSEQHVROTLKI-LBPRGKRZSA-N 1 2 288.351 1.318 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000360255449 374007388 /nfs/dbraw/zinc/00/73/88/374007388.db2.gz HEOVGCREMISWEF-HNNXBMFYSA-N 1 2 287.363 1.285 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000360255449 374007396 /nfs/dbraw/zinc/00/73/96/374007396.db2.gz HEOVGCREMISWEF-HNNXBMFYSA-N 1 2 287.363 1.285 20 30 CDEDLO N#Cc1ccc(NCC(=O)Nc2cc[nH+]cc2O)cc1 ZINC000109891173 374077064 /nfs/dbraw/zinc/07/70/64/374077064.db2.gz XZHDMIJCJCCGCV-UHFFFAOYSA-N 1 2 268.276 1.709 20 30 CDEDLO CC(C)(C[NH+]1CCOCC1)Nc1ncccc1C#N ZINC000308669917 374192469 /nfs/dbraw/zinc/19/24/69/374192469.db2.gz XLIJXJYPPHECAA-UHFFFAOYSA-N 1 2 260.341 1.476 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2C[C@@H](C)[C@@H](O)C2)c(C#N)c1C ZINC000351794677 374275219 /nfs/dbraw/zinc/27/52/19/374275219.db2.gz FMXNVQCVIJZGIK-PELKAZGASA-N 1 2 277.324 1.019 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c(C#N)c1C ZINC000351794677 374275226 /nfs/dbraw/zinc/27/52/26/374275226.db2.gz FMXNVQCVIJZGIK-PELKAZGASA-N 1 2 277.324 1.019 20 30 CDEDLO C[C@@H](O)CC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081515547 374512042 /nfs/dbraw/zinc/51/20/42/374512042.db2.gz CGMXURWYPARHEB-GFCCVEGCSA-N 1 2 296.392 1.035 20 30 CDEDLO C[C@@H](O)CC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081515547 374512052 /nfs/dbraw/zinc/51/20/52/374512052.db2.gz CGMXURWYPARHEB-GFCCVEGCSA-N 1 2 296.392 1.035 20 30 CDEDLO C[C@@H]1C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@H](C)S1 ZINC000532970128 374573068 /nfs/dbraw/zinc/57/30/68/374573068.db2.gz ZXNUMSOTJXHNLI-UHIISALHSA-N 1 2 289.404 1.910 20 30 CDEDLO C[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@H](C)S1 ZINC000532970128 374573073 /nfs/dbraw/zinc/57/30/73/374573073.db2.gz ZXNUMSOTJXHNLI-UHIISALHSA-N 1 2 289.404 1.910 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000280657460 375010699 /nfs/dbraw/zinc/01/06/99/375010699.db2.gz XAFLWQMHWMKZPN-SECBINFHSA-N 1 2 258.281 1.475 20 30 CDEDLO CC[N@H+](Cc1cn2ccccc2c1C#N)[C@H]1CCNC1=O ZINC000282426787 375084106 /nfs/dbraw/zinc/08/41/06/375084106.db2.gz RCTJMQFYOXEQNQ-HNNXBMFYSA-N 1 2 282.347 1.521 20 30 CDEDLO CC[N@@H+](Cc1cn2ccccc2c1C#N)[C@H]1CCNC1=O ZINC000282426787 375084111 /nfs/dbraw/zinc/08/41/11/375084111.db2.gz RCTJMQFYOXEQNQ-HNNXBMFYSA-N 1 2 282.347 1.521 20 30 CDEDLO CC[N@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1CCNC1=O ZINC000282495533 375090245 /nfs/dbraw/zinc/09/02/45/375090245.db2.gz WGDLIYLTVPQYAU-CYBMUJFWSA-N 1 2 277.755 1.922 20 30 CDEDLO CC[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1CCNC1=O ZINC000282495533 375090253 /nfs/dbraw/zinc/09/02/53/375090253.db2.gz WGDLIYLTVPQYAU-CYBMUJFWSA-N 1 2 277.755 1.922 20 30 CDEDLO CC(C)[N@H+](CC(N)=O)Cc1ccc(C#N)cc1Cl ZINC000162887772 375543536 /nfs/dbraw/zinc/54/35/36/375543536.db2.gz FADWDXBDFWWCDC-UHFFFAOYSA-N 1 2 265.744 1.907 20 30 CDEDLO CC(C)[N@@H+](CC(N)=O)Cc1ccc(C#N)cc1Cl ZINC000162887772 375543542 /nfs/dbraw/zinc/54/35/42/375543542.db2.gz FADWDXBDFWWCDC-UHFFFAOYSA-N 1 2 265.744 1.907 20 30 CDEDLO C=CCCOCCNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000122597338 375793832 /nfs/dbraw/zinc/79/38/32/375793832.db2.gz PVWOKRSNNUDWRI-UHFFFAOYSA-N 1 2 292.383 1.822 20 30 CDEDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000295244053 375847548 /nfs/dbraw/zinc/84/75/48/375847548.db2.gz DZYWBBFAWBTSTA-LLVKDONJSA-N 1 2 297.380 1.256 20 30 CDEDLO Cc1cnc(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)o1 ZINC000328866355 375992279 /nfs/dbraw/zinc/99/22/79/375992279.db2.gz NVKZZKYQWLORKB-JTQLQIEISA-N 1 2 275.312 1.752 20 30 CDEDLO C[C@](O)(CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000328895503 376004433 /nfs/dbraw/zinc/00/44/33/376004433.db2.gz BKARZVIGTBKNJG-HZMBPMFUSA-N 1 2 263.341 1.563 20 30 CDEDLO Cc1cc(NC(=O)C[N@@H+]2CC[C@H](c3nc(C)no3)C2)on1 ZINC000328942097 376015720 /nfs/dbraw/zinc/01/57/20/376015720.db2.gz AAHPWRQCOFRHJH-JTQLQIEISA-N 1 2 291.311 1.752 20 30 CDEDLO Cc1cc(NC(=O)C[N@H+]2CC[C@H](c3nc(C)no3)C2)on1 ZINC000328942097 376015727 /nfs/dbraw/zinc/01/57/27/376015727.db2.gz AAHPWRQCOFRHJH-JTQLQIEISA-N 1 2 291.311 1.752 20 30 CDEDLO O=C(N[C@@H]1CCO[C@@H]1C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328905033 376021585 /nfs/dbraw/zinc/02/15/85/376021585.db2.gz JUAKNGDRRDFRGB-IACUBPJLSA-N 1 2 275.352 1.970 20 30 CDEDLO Cc1noc(C)c1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330628508 376297635 /nfs/dbraw/zinc/29/76/35/376297635.db2.gz ZDAKNQNATGBBHJ-SECBINFHSA-N 1 2 267.329 1.317 20 30 CDEDLO Cc1noc(C)c1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330628508 376297639 /nfs/dbraw/zinc/29/76/39/376297639.db2.gz ZDAKNQNATGBBHJ-SECBINFHSA-N 1 2 267.329 1.317 20 30 CDEDLO CC[N@H+]1CCO[C@H](C(=O)Nc2n[nH]c(C(F)(F)F)n2)C1 ZINC000073028428 376824962 /nfs/dbraw/zinc/82/49/62/376824962.db2.gz ABPGOXMSOJYXFI-LURJTMIESA-N 1 2 293.249 1.132 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246854362 377003494 /nfs/dbraw/zinc/00/34/94/377003494.db2.gz FJYHJWSLGOVSTE-CABCVRRESA-N 1 2 294.395 1.067 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246854362 377003505 /nfs/dbraw/zinc/00/35/05/377003505.db2.gz FJYHJWSLGOVSTE-CABCVRRESA-N 1 2 294.395 1.067 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)N1CCCCCC1 ZINC000251091794 377558380 /nfs/dbraw/zinc/55/83/80/377558380.db2.gz KIUGGINHVBVYTD-QWHCGFSZSA-N 1 2 251.374 1.869 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)N1CCCCCC1 ZINC000251091794 377558388 /nfs/dbraw/zinc/55/83/88/377558388.db2.gz KIUGGINHVBVYTD-QWHCGFSZSA-N 1 2 251.374 1.869 20 30 CDEDLO C#CCCCCNc1[nH+]cnc(-n2cccn2)c1N ZINC000163577509 377593839 /nfs/dbraw/zinc/59/38/39/377593839.db2.gz ZKEWNNKJXZYUET-UHFFFAOYSA-N 1 2 256.313 1.460 20 30 CDEDLO C=CCN1CC[C@H]([NH2+][C@@H](CO)c2c(F)cccc2F)C1=O ZINC000281258535 377995757 /nfs/dbraw/zinc/99/57/57/377995757.db2.gz HGULOXUNVQRVDG-STQMWFEESA-N 1 2 296.317 1.375 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2CC=C)CC1 ZINC000282395518 378036047 /nfs/dbraw/zinc/03/60/47/378036047.db2.gz WCIUKMBBYXLDKG-UHFFFAOYSA-N 1 2 285.395 1.172 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@H](c3ccccc3)C2)C1=O ZINC000282103395 378024081 /nfs/dbraw/zinc/02/40/81/378024081.db2.gz WHFYAMGNPPTMFF-HOTGVXAUSA-N 1 2 286.375 1.847 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@H](c3ccccc3)C2)C1=O ZINC000282103395 378024088 /nfs/dbraw/zinc/02/40/88/378024088.db2.gz WHFYAMGNPPTMFF-HOTGVXAUSA-N 1 2 286.375 1.847 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCCc1nc2ccccc2s1 ZINC000192226101 378176147 /nfs/dbraw/zinc/17/61/47/378176147.db2.gz YSIKDGJRDQBLCF-UHFFFAOYSA-N 1 2 287.388 1.520 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCCc1nc2ccccc2s1 ZINC000192226101 378176149 /nfs/dbraw/zinc/17/61/49/378176149.db2.gz YSIKDGJRDQBLCF-UHFFFAOYSA-N 1 2 287.388 1.520 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCCOc1cccc(C)c1 ZINC000192227271 378176422 /nfs/dbraw/zinc/17/64/22/378176422.db2.gz JGLWJJGONPUASP-UHFFFAOYSA-N 1 2 260.337 1.055 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCCOc1cccc(C)c1 ZINC000192227271 378176428 /nfs/dbraw/zinc/17/64/28/378176428.db2.gz JGLWJJGONPUASP-UHFFFAOYSA-N 1 2 260.337 1.055 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N1CCSc2ccccc21 ZINC000192227167 378178581 /nfs/dbraw/zinc/17/85/81/378178581.db2.gz YHMMUCQJXOXAJZ-UHFFFAOYSA-N 1 2 260.362 1.690 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N1CCSc2ccccc21 ZINC000192227167 378178587 /nfs/dbraw/zinc/17/85/87/378178587.db2.gz YHMMUCQJXOXAJZ-UHFFFAOYSA-N 1 2 260.362 1.690 20 30 CDEDLO C=CCCC[N@H+]1CC[S@@](=O)C[C@H]1c1cnn(C)c1 ZINC000287682062 378276671 /nfs/dbraw/zinc/27/66/71/378276671.db2.gz IEVHBQBQHKNJPV-SCLBCKFNSA-N 1 2 267.398 1.492 20 30 CDEDLO C=CCCC[N@@H+]1CC[S@@](=O)C[C@H]1c1cnn(C)c1 ZINC000287682062 378276676 /nfs/dbraw/zinc/27/66/76/378276676.db2.gz IEVHBQBQHKNJPV-SCLBCKFNSA-N 1 2 267.398 1.492 20 30 CDEDLO C#C[C@@H](C)NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000286973954 378230190 /nfs/dbraw/zinc/23/01/90/378230190.db2.gz FGPOLXXHGYPEQA-LLVKDONJSA-N 1 2 288.351 1.370 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NC(=O)NCc1cccs1 ZINC000293054256 378547031 /nfs/dbraw/zinc/54/70/31/378547031.db2.gz ICCQPRWOFWWHIE-UHFFFAOYSA-N 1 2 279.365 1.029 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NC(=O)NCc1cccs1 ZINC000293054256 378547036 /nfs/dbraw/zinc/54/70/36/378547036.db2.gz ICCQPRWOFWWHIE-UHFFFAOYSA-N 1 2 279.365 1.029 20 30 CDEDLO CC[C@@H](F)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000440535758 249784494 /nfs/dbraw/zinc/78/44/94/249784494.db2.gz SRTKEQVMHCSDQH-GFCCVEGCSA-N 1 2 262.332 1.823 20 30 CDEDLO C=CCCCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000366824644 378734377 /nfs/dbraw/zinc/73/43/77/378734377.db2.gz IAEGNXVYHNIQAQ-CQSZACIVSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CCCCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000366824644 378734386 /nfs/dbraw/zinc/73/43/86/378734386.db2.gz IAEGNXVYHNIQAQ-CQSZACIVSA-N 1 2 266.385 1.570 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2C(C)C)CC1 ZINC000296058220 378714126 /nfs/dbraw/zinc/71/41/26/378714126.db2.gz RGRULNQCJQCRSA-UHFFFAOYSA-N 1 2 289.427 1.813 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](c2nccn2C)C2CC2)C1=O ZINC000639132054 378766903 /nfs/dbraw/zinc/76/69/03/378766903.db2.gz DDDGUSFQKXEVMH-UONOGXRCSA-N 1 2 288.395 1.590 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](c2nccn2C)C2CC2)C1=O ZINC000639132054 378766907 /nfs/dbraw/zinc/76/69/07/378766907.db2.gz DDDGUSFQKXEVMH-UONOGXRCSA-N 1 2 288.395 1.590 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)Cc1cccc(C#N)c1 ZINC000278729202 194127208 /nfs/dbraw/zinc/12/72/08/194127208.db2.gz UBULWUBQRNWUSQ-UHFFFAOYSA-N 1 2 268.320 1.791 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)/C=C\c1ccc(C#N)cc1 ZINC000491479652 253084347 /nfs/dbraw/zinc/08/43/47/253084347.db2.gz SGPQHMNLYMTNJM-SREVYHEPSA-N 1 2 266.304 1.621 20 30 CDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)/C=C/c3ccc(C#N)cc3)C[C@H]21 ZINC000492144850 253164083 /nfs/dbraw/zinc/16/40/83/253164083.db2.gz KXHJKFHQKKYCMQ-YCZSJOHXSA-N 1 2 297.358 1.113 20 30 CDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)/C=C/c3ccc(C#N)cc3)C[C@H]21 ZINC000492144850 253164085 /nfs/dbraw/zinc/16/40/85/253164085.db2.gz KXHJKFHQKKYCMQ-YCZSJOHXSA-N 1 2 297.358 1.113 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000682361050 483199785 /nfs/dbraw/zinc/19/97/85/483199785.db2.gz HFMSATFNPCSRAJ-UKRRQHHQSA-N 1 2 266.385 1.522 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000192227661 533110717 /nfs/dbraw/zinc/11/07/17/533110717.db2.gz LPWMLICROWEDGH-NSHDSACASA-N 1 2 276.336 1.596 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000192227661 533110720 /nfs/dbraw/zinc/11/07/20/533110720.db2.gz LPWMLICROWEDGH-NSHDSACASA-N 1 2 276.336 1.596 20 30 CDEDLO C#CC[NH+](CC#C)CCCCCS(=O)(=O)CC ZINC000190616847 533119476 /nfs/dbraw/zinc/11/94/76/533119476.db2.gz RLHMJNWUCCXTAY-UHFFFAOYSA-N 1 2 255.383 1.160 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]([C@@H](C)C(=O)OC)C2CCC2)C1=O ZINC000281304040 195189906 /nfs/dbraw/zinc/18/99/06/195189906.db2.gz KEFMAOFYUKLUMG-WCQYABFASA-N 1 2 280.368 1.189 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]([C@@H](C)C(=O)OC)C2CCC2)C1=O ZINC000281304040 195189908 /nfs/dbraw/zinc/18/99/08/195189908.db2.gz KEFMAOFYUKLUMG-WCQYABFASA-N 1 2 280.368 1.189 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000281331258 195200528 /nfs/dbraw/zinc/20/05/28/195200528.db2.gz LGRLGUDDNOETSJ-LLVKDONJSA-N 1 2 250.346 1.916 20 30 CDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)NC(=O)NC ZINC000298046307 390294080 /nfs/dbraw/zinc/29/40/80/390294080.db2.gz HHYFFAORXFSWJW-LLVKDONJSA-N 1 2 291.326 1.105 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)NC(=O)NC ZINC000298046307 390294085 /nfs/dbraw/zinc/29/40/85/390294085.db2.gz HHYFFAORXFSWJW-LLVKDONJSA-N 1 2 291.326 1.105 20 30 CDEDLO C=CC[N@@H+](C[C@H]1CCC(C)(C)O1)[C@H]1CCS(=O)(=O)C1 ZINC000248574378 390939442 /nfs/dbraw/zinc/93/94/42/390939442.db2.gz OHXLUHZQAQTVHL-QWHCGFSZSA-N 1 2 287.425 1.619 20 30 CDEDLO C=CC[N@H+](C[C@H]1CCC(C)(C)O1)[C@H]1CCS(=O)(=O)C1 ZINC000248574378 390939443 /nfs/dbraw/zinc/93/94/43/390939443.db2.gz OHXLUHZQAQTVHL-QWHCGFSZSA-N 1 2 287.425 1.619 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293033039 391022504 /nfs/dbraw/zinc/02/25/04/391022504.db2.gz RQIVIKOOEVXNPF-NSHDSACASA-N 1 2 256.737 1.160 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293033039 391022508 /nfs/dbraw/zinc/02/25/08/391022508.db2.gz RQIVIKOOEVXNPF-NSHDSACASA-N 1 2 256.737 1.160 20 30 CDEDLO O=C(NCc1nc(CO)cs1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000329510681 391001362 /nfs/dbraw/zinc/00/13/62/391001362.db2.gz MSJBWUDUVZCGMW-CYBMUJFWSA-N 1 2 295.408 1.966 20 30 CDEDLO [O-]C(NCC1(C(F)F)CC1)=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329542394 391010370 /nfs/dbraw/zinc/01/03/70/391010370.db2.gz DWLOJHYRFAMCOE-QMMMGPOBSA-N 1 2 284.310 1.816 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc2c(c1)oc(=O)n2C ZINC000351403140 391075197 /nfs/dbraw/zinc/07/51/97/391075197.db2.gz XMZBTDBTKUEMGN-JTQLQIEISA-N 1 2 259.309 1.865 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc2c(c1)oc(=O)n2C ZINC000351403140 391075204 /nfs/dbraw/zinc/07/52/04/391075204.db2.gz XMZBTDBTKUEMGN-JTQLQIEISA-N 1 2 259.309 1.865 20 30 CDEDLO N#CC1(F)CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000352466129 391148617 /nfs/dbraw/zinc/14/86/17/391148617.db2.gz AGAJRVTVOMZDQL-LBPRGKRZSA-N 1 2 261.300 1.541 20 30 CDEDLO C#C[C@@H](C)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000373471024 391120377 /nfs/dbraw/zinc/12/03/77/391120377.db2.gz KDAYEMLAJSEJKK-LLVKDONJSA-N 1 2 260.341 1.083 20 30 CDEDLO C#C[C@H](C)NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000373473205 391120729 /nfs/dbraw/zinc/12/07/29/391120729.db2.gz FVKHWMNWSPXPFA-QWHCGFSZSA-N 1 2 257.337 1.436 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000373819722 391133601 /nfs/dbraw/zinc/13/36/01/391133601.db2.gz NLPGLQZXELWLFD-ZDUSSCGKSA-N 1 2 297.424 1.581 20 30 CDEDLO C#CC[N@H+](C)CCCS(=O)(=O)c1ccc(F)cc1 ZINC000491627818 391168388 /nfs/dbraw/zinc/16/83/88/391168388.db2.gz USWSZSZZTWFWOD-UHFFFAOYSA-N 1 2 269.341 1.555 20 30 CDEDLO C#CC[N@@H+](C)CCCS(=O)(=O)c1ccc(F)cc1 ZINC000491627818 391168391 /nfs/dbraw/zinc/16/83/91/391168391.db2.gz USWSZSZZTWFWOD-UHFFFAOYSA-N 1 2 269.341 1.555 20 30 CDEDLO C=C(Cl)CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376353537 391224672 /nfs/dbraw/zinc/22/46/72/391224672.db2.gz RILFKUSAXOAJPN-RYUDHWBXSA-N 1 2 287.791 1.244 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000491673528 391196489 /nfs/dbraw/zinc/19/64/89/391196489.db2.gz ZYQJGCOTFJOBBI-LBPRGKRZSA-N 1 2 265.378 1.934 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000491673528 391196492 /nfs/dbraw/zinc/19/64/92/391196492.db2.gz ZYQJGCOTFJOBBI-LBPRGKRZSA-N 1 2 265.378 1.934 20 30 CDEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccc(C#N)c1 ZINC000408084591 391285118 /nfs/dbraw/zinc/28/51/18/391285118.db2.gz RKSIOGBSOMHVML-VXGBXAGGSA-N 1 2 293.392 1.271 20 30 CDEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccc(C#N)c1 ZINC000408084591 391285120 /nfs/dbraw/zinc/28/51/20/391285120.db2.gz RKSIOGBSOMHVML-VXGBXAGGSA-N 1 2 293.392 1.271 20 30 CDEDLO CN(C(=O)C[N@H+](CCC#N)CC(C)(C)C)C1CC1 ZINC000112981834 391296180 /nfs/dbraw/zinc/29/61/80/391296180.db2.gz DBJPTOHJFZZAQH-UHFFFAOYSA-N 1 2 251.374 1.869 20 30 CDEDLO CN(C(=O)C[N@@H+](CCC#N)CC(C)(C)C)C1CC1 ZINC000112981834 391296188 /nfs/dbraw/zinc/29/61/88/391296188.db2.gz DBJPTOHJFZZAQH-UHFFFAOYSA-N 1 2 251.374 1.869 20 30 CDEDLO C=C(CC)CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000455549428 391307179 /nfs/dbraw/zinc/30/71/79/391307179.db2.gz XCOATUBWBDJFHR-ZIAGYGMSSA-N 1 2 281.400 1.457 20 30 CDEDLO C[C@H](C#N)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000345790724 391313771 /nfs/dbraw/zinc/31/37/71/391313771.db2.gz DZAMPCHPGDVHOX-HIFRSBDPSA-N 1 2 287.363 1.336 20 30 CDEDLO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)NCC#N ZINC000330517716 391436546 /nfs/dbraw/zinc/43/65/46/391436546.db2.gz XMLOFTLVFRNZOZ-NSHDSACASA-N 1 2 263.366 1.697 20 30 CDEDLO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)NCC#N ZINC000330517716 391436549 /nfs/dbraw/zinc/43/65/49/391436549.db2.gz XMLOFTLVFRNZOZ-NSHDSACASA-N 1 2 263.366 1.697 20 30 CDEDLO COCc1nc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cs1 ZINC000330613631 391447882 /nfs/dbraw/zinc/44/78/82/391447882.db2.gz AEEFXEOWDVFXTI-SNVBAGLBSA-N 1 2 299.396 1.315 20 30 CDEDLO COCc1nc(C(=O)NCC[N@H+]2CCOC[C@H]2C)cs1 ZINC000330613631 391447884 /nfs/dbraw/zinc/44/78/84/391447884.db2.gz AEEFXEOWDVFXTI-SNVBAGLBSA-N 1 2 299.396 1.315 20 30 CDEDLO C=C(C)CN(CC)C(=O)CN1CCn2c[nH+]cc2C1 ZINC000647940754 391488542 /nfs/dbraw/zinc/48/85/42/391488542.db2.gz WWMLZGOBVUGDDV-UHFFFAOYSA-N 1 2 262.357 1.123 20 30 CDEDLO C=CCOc1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1OC ZINC000114123366 391463675 /nfs/dbraw/zinc/46/36/75/391463675.db2.gz LLMULYAMSGOAEU-UHFFFAOYSA-N 1 2 287.319 1.913 20 30 CDEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(CCC#N)C1 ZINC000411672791 391507729 /nfs/dbraw/zinc/50/77/29/391507729.db2.gz JRSXKIGCLMKPQD-CQSZACIVSA-N 1 2 267.373 1.296 20 30 CDEDLO OCC#CCNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000339973337 391491920 /nfs/dbraw/zinc/49/19/20/391491920.db2.gz OXOWOZICPMVBFB-UHFFFAOYSA-N 1 2 279.303 1.223 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@](C)(O)C1 ZINC000267615581 391630221 /nfs/dbraw/zinc/63/02/21/391630221.db2.gz OWSAFHMMZIERBE-UKRRQHHQSA-N 1 2 274.320 1.229 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@](C)(O)C1 ZINC000267615581 391630225 /nfs/dbraw/zinc/63/02/25/391630225.db2.gz OWSAFHMMZIERBE-UKRRQHHQSA-N 1 2 274.320 1.229 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(C#N)ccc2F)C1=O ZINC000282060570 391670223 /nfs/dbraw/zinc/67/02/23/391670223.db2.gz SBNUHWGGQSPSPR-OAHLLOKOSA-N 1 2 287.338 1.916 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1=O ZINC000282060570 391670225 /nfs/dbraw/zinc/67/02/25/391670225.db2.gz SBNUHWGGQSPSPR-OAHLLOKOSA-N 1 2 287.338 1.916 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](CC(=O)OCC)CC(C)C)C1=O ZINC000281912186 391674202 /nfs/dbraw/zinc/67/42/02/391674202.db2.gz GODAMTIDDULMGR-CYBMUJFWSA-N 1 2 282.384 1.294 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](CC(=O)OCC)CC(C)C)C1=O ZINC000281912186 391674206 /nfs/dbraw/zinc/67/42/06/391674206.db2.gz GODAMTIDDULMGR-CYBMUJFWSA-N 1 2 282.384 1.294 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)C(=O)OC ZINC000361112012 391682820 /nfs/dbraw/zinc/68/28/20/391682820.db2.gz WEJTVMLPJVAGBY-UPJWGTAASA-N 1 2 255.358 1.899 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@@H](C)c1c(F)cncc1F ZINC000285850642 391722189 /nfs/dbraw/zinc/72/21/89/391722189.db2.gz XBIQRLLGTJNHIS-QMMMGPOBSA-N 1 2 255.268 1.313 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CCC[C@@H](O)[C@H]2C(=O)OC)cc1 ZINC000289589518 391758044 /nfs/dbraw/zinc/75/80/44/391758044.db2.gz IKDLYRWXEJGNPB-CABCVRRESA-N 1 2 273.332 1.166 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CCC[C@@H](O)[C@H]2C(=O)OC)cc1 ZINC000289589518 391758049 /nfs/dbraw/zinc/75/80/49/391758049.db2.gz IKDLYRWXEJGNPB-CABCVRRESA-N 1 2 273.332 1.166 20 30 CDEDLO O=C(NCC[C@@H]1CCOC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329763835 391775073 /nfs/dbraw/zinc/77/50/73/391775073.db2.gz UZYNVHWYHGYSEQ-OLZOCXBDSA-N 1 2 292.383 1.930 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N(CCO)C1CCC1 ZINC000329754493 391771594 /nfs/dbraw/zinc/77/15/94/391771594.db2.gz XIPWGLHKAQWYAS-SNVBAGLBSA-N 1 2 278.356 1.028 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N(CCO)C1CCC1 ZINC000329754493 391771598 /nfs/dbraw/zinc/77/15/98/391771598.db2.gz XIPWGLHKAQWYAS-SNVBAGLBSA-N 1 2 278.356 1.028 20 30 CDEDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000189576845 391773479 /nfs/dbraw/zinc/77/34/79/391773479.db2.gz HWXLEPNTAKCQTB-HUUCEWRRSA-N 1 2 288.347 1.365 20 30 CDEDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000189576845 391773482 /nfs/dbraw/zinc/77/34/82/391773482.db2.gz HWXLEPNTAKCQTB-HUUCEWRRSA-N 1 2 288.347 1.365 20 30 CDEDLO O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCn2cc[nH+]c2C1 ZINC000329789668 391779647 /nfs/dbraw/zinc/77/96/47/391779647.db2.gz CESIPIFMSGMUGQ-OLZOCXBDSA-N 1 2 290.367 1.570 20 30 CDEDLO CC(C)(CNC(=O)C1CCC(=O)CC1)[NH+]1CCOCC1 ZINC000329854503 391790157 /nfs/dbraw/zinc/79/01/57/391790157.db2.gz WMNCNLOGTXLRII-UHFFFAOYSA-N 1 2 282.384 1.813 20 30 CDEDLO Cc1nccc([NH+]=C([O-])N[C@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000329786312 391779060 /nfs/dbraw/zinc/77/90/60/391779060.db2.gz QOKCDMNTQVXABN-VIFPVBQESA-N 1 2 272.312 1.392 20 30 CDEDLO Cc1nccc([NH+]=C([O-])N[C@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000329786312 391779064 /nfs/dbraw/zinc/77/90/64/391779064.db2.gz QOKCDMNTQVXABN-VIFPVBQESA-N 1 2 272.312 1.392 20 30 CDEDLO C[C@@H]1OCC[C@]1(C)[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000330268358 391815560 /nfs/dbraw/zinc/81/55/60/391815560.db2.gz IPOBJFQOAYGOOS-MJVIPROJSA-N 1 2 278.356 1.269 20 30 CDEDLO N#Cc1ccc(OCC[N@@H+]2CCc3nc[nH]c3C2)cc1 ZINC000590599599 391912789 /nfs/dbraw/zinc/91/27/89/391912789.db2.gz JLMXYKRAEJUVNC-UHFFFAOYSA-N 1 2 268.320 1.718 20 30 CDEDLO N#Cc1ccc(OCC[N@H+]2CCc3nc[nH]c3C2)cc1 ZINC000590599599 391912801 /nfs/dbraw/zinc/91/28/01/391912801.db2.gz JLMXYKRAEJUVNC-UHFFFAOYSA-N 1 2 268.320 1.718 20 30 CDEDLO C[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000245531501 391989986 /nfs/dbraw/zinc/98/99/86/391989986.db2.gz TUQHVMRGKMYYII-CJNGLKHVSA-N 1 2 299.374 1.774 20 30 CDEDLO C[C@@H]1C[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000245531501 391989992 /nfs/dbraw/zinc/98/99/92/391989992.db2.gz TUQHVMRGKMYYII-CJNGLKHVSA-N 1 2 299.374 1.774 20 30 CDEDLO C=CCN(C)C(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000342911182 392062198 /nfs/dbraw/zinc/06/21/98/392062198.db2.gz MDAZDZGOJAUAAY-UHFFFAOYSA-N 1 2 298.346 1.133 20 30 CDEDLO C#CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000270692327 392126445 /nfs/dbraw/zinc/12/64/45/392126445.db2.gz GCNRIYYPFBNDEM-KRWDZBQOSA-N 1 2 299.418 1.457 20 30 CDEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](O)C2)C1=O ZINC000267715382 392208923 /nfs/dbraw/zinc/20/89/23/392208923.db2.gz UEXMBLRBLRTHLY-NEPJUHHUSA-N 1 2 291.376 1.182 20 30 CDEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](O)C2)C1=O ZINC000267715382 392208928 /nfs/dbraw/zinc/20/89/28/392208928.db2.gz UEXMBLRBLRTHLY-NEPJUHHUSA-N 1 2 291.376 1.182 20 30 CDEDLO CC[C@@H]1C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CCO1 ZINC000555482718 392259679 /nfs/dbraw/zinc/25/96/79/392259679.db2.gz HZCVFALDSSYBNJ-BZPMIXESSA-N 1 2 267.373 1.152 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000263772994 131327364 /nfs/dbraw/zinc/32/73/64/131327364.db2.gz FQACYOLIRBHCFD-NFAHFFEMSA-N 1 2 285.347 1.018 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNC(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000263772994 131327366 /nfs/dbraw/zinc/32/73/66/131327366.db2.gz FQACYOLIRBHCFD-NFAHFFEMSA-N 1 2 285.347 1.018 20 30 CDEDLO C=CCCC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619888598 392771923 /nfs/dbraw/zinc/77/19/23/392771923.db2.gz IRLAYJHXTVJFGC-UHFFFAOYSA-N 1 2 266.385 1.523 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@@H](C)O1 ZINC000251525637 392777601 /nfs/dbraw/zinc/77/76/01/392777601.db2.gz CXRWGODMCXXKEQ-RISCZKNCSA-N 1 2 278.327 1.933 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H](C)O1 ZINC000251525637 392777605 /nfs/dbraw/zinc/77/76/05/392777605.db2.gz CXRWGODMCXXKEQ-RISCZKNCSA-N 1 2 278.327 1.933 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNc1ncc(C#N)cc1F ZINC000413118326 392824960 /nfs/dbraw/zinc/82/49/60/392824960.db2.gz LAJWVLIRSHUKSA-UHFFFAOYSA-N 1 2 278.331 1.615 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNc1ncc(C#N)cc1F ZINC000413118326 392824963 /nfs/dbraw/zinc/82/49/63/392824963.db2.gz LAJWVLIRSHUKSA-UHFFFAOYSA-N 1 2 278.331 1.615 20 30 CDEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268622628 132037412 /nfs/dbraw/zinc/03/74/12/132037412.db2.gz ANQRHSBJPVLPCP-TXVVRZKASA-N 1 2 292.404 1.433 20 30 CDEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268622628 132037414 /nfs/dbraw/zinc/03/74/14/132037414.db2.gz ANQRHSBJPVLPCP-TXVVRZKASA-N 1 2 292.404 1.433 20 30 CDEDLO C=CCCS(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000268772717 132063596 /nfs/dbraw/zinc/06/35/96/132063596.db2.gz FTSINVVVOIAFIN-UHFFFAOYSA-N 1 2 269.370 1.495 20 30 CDEDLO CC#CC[C@@H](CO)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000649189283 392975969 /nfs/dbraw/zinc/97/59/69/392975969.db2.gz BVUNXISAHQWKEA-INIZCTEOSA-N 1 2 297.358 1.436 20 30 CDEDLO Cc1cccc(OC[C@@H](O)CNc2cc(C)[nH+]cc2C#N)c1 ZINC000425204942 392994241 /nfs/dbraw/zinc/99/42/41/392994241.db2.gz ASYBUOMERWXMLL-HNNXBMFYSA-N 1 2 297.358 1.844 20 30 CDEDLO CCOC(=O)c1cn(CCNc2cc(C)[nH+]cc2C#N)cn1 ZINC000425264547 393008302 /nfs/dbraw/zinc/00/83/02/393008302.db2.gz XFAWLVXHUMQADE-UHFFFAOYSA-N 1 2 299.334 1.169 20 30 CDEDLO Cc1cc(N[C@H]2CCN(CC(F)F)C2)c(C#N)c[nH+]1 ZINC000425270051 393011909 /nfs/dbraw/zinc/01/19/09/393011909.db2.gz SIPKNKGYDMGZNN-NSHDSACASA-N 1 2 266.295 1.435 20 30 CDEDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1cc(C#N)ccn1 ZINC000493639855 393216241 /nfs/dbraw/zinc/21/62/41/393216241.db2.gz FQCZOAWOJMNHKQ-ONEGZZNKSA-N 1 2 267.292 1.822 20 30 CDEDLO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1nncn1C ZINC000230936956 140215149 /nfs/dbraw/zinc/21/51/49/140215149.db2.gz FCDFSAFVPYKBAM-SECBINFHSA-N 1 2 259.288 1.677 20 30 CDEDLO C[C@@H]1C[N@H+](CCOc2ccccc2C#N)C[C@H](CO)O1 ZINC000191718157 148534471 /nfs/dbraw/zinc/53/44/71/148534471.db2.gz NKMRXWJFNTXQCA-TZMCWYRMSA-N 1 2 276.336 1.019 20 30 CDEDLO C[C@@H]1C[N@@H+](CCOc2ccccc2C#N)C[C@H](CO)O1 ZINC000191718157 148534476 /nfs/dbraw/zinc/53/44/76/148534476.db2.gz NKMRXWJFNTXQCA-TZMCWYRMSA-N 1 2 276.336 1.019 20 30 CDEDLO C[C@@H]1[C@H](C)N(C(=O)c2ccc(C#N)s2)CC[N@H+]1C ZINC000335134063 150323718 /nfs/dbraw/zinc/32/37/18/150323718.db2.gz FQBREFIBTYGJMG-ZJUUUORDSA-N 1 2 263.366 1.784 20 30 CDEDLO C[C@@H]1[C@H](C)N(C(=O)c2ccc(C#N)s2)CC[N@@H+]1C ZINC000335134063 150323721 /nfs/dbraw/zinc/32/37/21/150323721.db2.gz FQBREFIBTYGJMG-ZJUUUORDSA-N 1 2 263.366 1.784 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cccc(C#N)c2)C1 ZINC000335931326 151123636 /nfs/dbraw/zinc/12/36/36/151123636.db2.gz GCCPEURHZXTFQU-CQSZACIVSA-N 1 2 280.331 1.921 20 30 CDEDLO Cc1ccnc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c1C#N ZINC000343503391 152204500 /nfs/dbraw/zinc/20/45/00/152204500.db2.gz APMJCSJGCCGKSW-QWHCGFSZSA-N 1 2 274.368 1.783 20 30 CDEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2ncccc2C#N)C1 ZINC000353877658 156138658 /nfs/dbraw/zinc/13/86/58/156138658.db2.gz VXNVVJIBRXMDMS-LBPRGKRZSA-N 1 2 288.351 1.250 20 30 CDEDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2ncccc2C#N)C1 ZINC000353877658 156138663 /nfs/dbraw/zinc/13/86/63/156138663.db2.gz VXNVVJIBRXMDMS-LBPRGKRZSA-N 1 2 288.351 1.250 20 30 CDEDLO C[C@H]1CCN(C(=O)c2cnccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000358851215 158051479 /nfs/dbraw/zinc/05/14/79/158051479.db2.gz KDQLDXDPQYIJIJ-WFASDCNBSA-N 1 2 295.346 1.873 20 30 CDEDLO C=CC[C@@H]1CCCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000660856238 413580813 /nfs/dbraw/zinc/58/08/13/413580813.db2.gz GNGDSYKDNBXCJX-LSDHHAIUSA-N 1 2 295.427 1.705 20 30 CDEDLO C=CC[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000660856238 413580824 /nfs/dbraw/zinc/58/08/24/413580824.db2.gz GNGDSYKDNBXCJX-LSDHHAIUSA-N 1 2 295.427 1.705 20 30 CDEDLO C=CCCn1cc(C[NH2+]C[C@](C)(O)C(F)(F)F)nn1 ZINC000657418023 414303881 /nfs/dbraw/zinc/30/38/81/414303881.db2.gz HJFVUWUVFNDOPS-JTQLQIEISA-N 1 2 278.278 1.257 20 30 CDEDLO COCC[N@H+](CCC#N)Cc1ccc(C(=O)OC)cc1 ZINC000071226586 176089658 /nfs/dbraw/zinc/08/96/58/176089658.db2.gz OSVKTHLHOINKKN-UHFFFAOYSA-N 1 2 276.336 1.835 20 30 CDEDLO COCC[N@@H+](CCC#N)Cc1ccc(C(=O)OC)cc1 ZINC000071226586 176089660 /nfs/dbraw/zinc/08/96/60/176089660.db2.gz OSVKTHLHOINKKN-UHFFFAOYSA-N 1 2 276.336 1.835 20 30 CDEDLO C[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329710308 287321323 /nfs/dbraw/zinc/32/13/23/287321323.db2.gz MCQVMIRYUAGEDD-GHMZBOCLSA-N 1 2 262.357 1.913 20 30 CDEDLO C[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329710308 287321324 /nfs/dbraw/zinc/32/13/24/287321324.db2.gz MCQVMIRYUAGEDD-GHMZBOCLSA-N 1 2 262.357 1.913 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1cnc(C)s1 ZINC000080040878 177600227 /nfs/dbraw/zinc/60/02/27/177600227.db2.gz LPKKNGFTJJFGEV-SECBINFHSA-N 1 2 253.371 1.574 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cnc(C)s1 ZINC000080040878 177600230 /nfs/dbraw/zinc/60/02/30/177600230.db2.gz LPKKNGFTJJFGEV-SECBINFHSA-N 1 2 253.371 1.574 20 30 CDEDLO Cc1cccn2cc(CNC(=O)[C@]3(C#N)C[C@H]3C)[nH+]c12 ZINC000334654366 225258580 /nfs/dbraw/zinc/25/85/80/225258580.db2.gz UTTMUDGYTSZEOY-ABAIWWIYSA-N 1 2 268.320 1.809 20 30 CDEDLO Cc1cccc2[nH+]cc(CN3CC(O)(CC#N)C3)n21 ZINC000354928979 227244084 /nfs/dbraw/zinc/24/40/84/227244084.db2.gz UWAZLGPLXNGVSO-UHFFFAOYSA-N 1 2 256.309 1.103 20 30 CDEDLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000330006579 228014815 /nfs/dbraw/zinc/01/48/15/228014815.db2.gz CXLUYVWRUGTQKT-NNYUYHANSA-N 1 2 276.340 1.148 20 30 CDEDLO N#CC1(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCC1 ZINC000335991700 228175585 /nfs/dbraw/zinc/17/55/85/228175585.db2.gz UNBHBEMNMCRNSH-NSHDSACASA-N 1 2 258.325 1.810 20 30 CDEDLO N#CC1(C[N@H+]2CCC[C@H]2C(=O)N2CCSCC2)CC1 ZINC000336146315 228197435 /nfs/dbraw/zinc/19/74/35/228197435.db2.gz OVHXFMDYLQTHIV-LBPRGKRZSA-N 1 2 279.409 1.330 20 30 CDEDLO N#CC1(C[N@@H+]2CCC[C@H]2C(=O)N2CCSCC2)CC1 ZINC000336146315 228197436 /nfs/dbraw/zinc/19/74/36/228197436.db2.gz OVHXFMDYLQTHIV-LBPRGKRZSA-N 1 2 279.409 1.330 20 30 CDEDLO COc1c(N)[nH+]cnc1NCC1CCC(C#N)CC1 ZINC000521370560 260088628 /nfs/dbraw/zinc/08/86/28/260088628.db2.gz XBWVXKPFFUNYLB-UHFFFAOYSA-N 1 2 261.329 1.231 20 30 CDEDLO COc1c(N)nc[nH+]c1NCC1CCC(C#N)CC1 ZINC000521370560 260088630 /nfs/dbraw/zinc/08/86/30/260088630.db2.gz XBWVXKPFFUNYLB-UHFFFAOYSA-N 1 2 261.329 1.231 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NCc1ccccc1F ZINC000049000867 260202878 /nfs/dbraw/zinc/20/28/78/260202878.db2.gz SDBCSJSJJOXDRE-RYUDHWBXSA-N 1 2 277.343 1.922 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NCc1ccccc1F ZINC000049000867 260202880 /nfs/dbraw/zinc/20/28/80/260202880.db2.gz SDBCSJSJJOXDRE-RYUDHWBXSA-N 1 2 277.343 1.922 20 30 CDEDLO CC1CCC(OCC(=O)N[C@@](C)(C#N)C[NH+](C)C)CC1 ZINC000517945374 260323306 /nfs/dbraw/zinc/32/33/06/260323306.db2.gz WSOODLWMCSZDCB-PIMMBPRGSA-N 1 2 281.400 1.542 20 30 CDEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(CCC#N)CC2)C1 ZINC000052687751 261117755 /nfs/dbraw/zinc/11/77/55/261117755.db2.gz KQPHBHWHYVRWEH-HUUCEWRRSA-N 1 2 292.427 1.022 20 30 CDEDLO CCc1nnc(CO[NH+]=C(N)Cc2csc(C)n2)o1 ZINC000160718291 261223952 /nfs/dbraw/zinc/22/39/52/261223952.db2.gz NFITWFRPKUEZQX-UHFFFAOYSA-N 1 2 281.341 1.428 20 30 CDEDLO N#CCN1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000103882474 261336419 /nfs/dbraw/zinc/33/64/19/261336419.db2.gz GPZOOIOJHARNNJ-UHFFFAOYSA-N 1 2 260.297 1.236 20 30 CDEDLO N#CC1(CS(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000165951724 261379877 /nfs/dbraw/zinc/37/98/77/261379877.db2.gz OTJGVPXPKUPXEG-LLVKDONJSA-N 1 2 294.380 1.570 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1nnc(CC(C)C)s1 ZINC000491285728 261399997 /nfs/dbraw/zinc/39/99/97/261399997.db2.gz FNISTPKRJCKAGR-JTQLQIEISA-N 1 2 280.397 1.629 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1nnc(CC(C)C)s1 ZINC000491285728 261399998 /nfs/dbraw/zinc/39/99/98/261399998.db2.gz FNISTPKRJCKAGR-JTQLQIEISA-N 1 2 280.397 1.629 20 30 CDEDLO C=CCn1c(C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000337874439 262479005 /nfs/dbraw/zinc/47/90/05/262479005.db2.gz XOUBRILZNFMOJS-UHFFFAOYSA-N 1 2 284.367 1.494 20 30 CDEDLO COCC[C@H](C)O[NH+]=C(N)COc1cccc(F)c1 ZINC000275472283 263033332 /nfs/dbraw/zinc/03/33/32/263033332.db2.gz LPMILXHAHCALSC-JTQLQIEISA-N 1 2 270.304 1.918 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)CC[S@@]1=O ZINC000277118821 263039810 /nfs/dbraw/zinc/03/98/10/263039810.db2.gz HRDJKAJNQNHDSF-XCLFUZPHSA-N 1 2 292.404 1.932 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)CC[S@@]1=O ZINC000277118821 263039811 /nfs/dbraw/zinc/03/98/11/263039811.db2.gz HRDJKAJNQNHDSF-XCLFUZPHSA-N 1 2 292.404 1.932 20 30 CDEDLO NC(=[NH+]OCCOc1ccccc1)[C@@H]1CCCO1 ZINC000284046020 263085585 /nfs/dbraw/zinc/08/55/85/263085585.db2.gz JCOHFSMBCJOWRM-LBPRGKRZSA-N 1 2 250.298 1.533 20 30 CDEDLO NC(=[NH+]OCC(=O)Nc1ccc(F)c(F)c1)[C@H]1CCCO1 ZINC000284042283 263085595 /nfs/dbraw/zinc/08/55/95/263085595.db2.gz JAOXQLRPDXWSCQ-LLVKDONJSA-N 1 2 299.277 1.371 20 30 CDEDLO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCNC1=O ZINC000340224857 263097650 /nfs/dbraw/zinc/09/76/50/263097650.db2.gz GOVOCEHOFSPYAO-ZDUSSCGKSA-N 1 2 296.292 1.877 20 30 CDEDLO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCNC1=O ZINC000340224857 263097651 /nfs/dbraw/zinc/09/76/51/263097651.db2.gz GOVOCEHOFSPYAO-ZDUSSCGKSA-N 1 2 296.292 1.877 20 30 CDEDLO COC(=O)c1cc(C[N@H+](C)[C@@H](C)CC#N)n(C)c1C ZINC000291256468 263121231 /nfs/dbraw/zinc/12/12/31/263121231.db2.gz RVOZFETXZREJRG-JTQLQIEISA-N 1 2 263.341 1.854 20 30 CDEDLO COC(=O)c1cc(C[N@@H+](C)[C@@H](C)CC#N)n(C)c1C ZINC000291256468 263121232 /nfs/dbraw/zinc/12/12/32/263121232.db2.gz RVOZFETXZREJRG-JTQLQIEISA-N 1 2 263.341 1.854 20 30 CDEDLO C[C@H]([NH2+]CCC#N)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000299730878 263254025 /nfs/dbraw/zinc/25/40/25/263254025.db2.gz WZGZHADWYQJREY-NSHDSACASA-N 1 2 281.381 1.501 20 30 CDEDLO CCOC(=O)[C@H](C)[NH+]1CCC(C#N)(COC)CC1 ZINC000341981858 263369769 /nfs/dbraw/zinc/36/97/69/263369769.db2.gz RNHMXWKEESEZEF-NSHDSACASA-N 1 2 254.330 1.190 20 30 CDEDLO COCC1(C#N)CC[NH+](CC(=O)NCC2CCC2)CC1 ZINC000342004214 263375794 /nfs/dbraw/zinc/37/57/94/263375794.db2.gz YTLCPVYXWRPZBH-UHFFFAOYSA-N 1 2 279.384 1.155 20 30 CDEDLO CC[C@@H](C(=O)N[C@H](C)CC#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000330462340 263942570 /nfs/dbraw/zinc/94/25/70/263942570.db2.gz TUUMKBYKIIDOJU-UPJWGTAASA-N 1 2 267.373 1.294 20 30 CDEDLO CC[C@@H](C(=O)N[C@H](C)CC#N)[N@H+]1CCO[C@H](CC)C1 ZINC000330462340 263942573 /nfs/dbraw/zinc/94/25/73/263942573.db2.gz TUUMKBYKIIDOJU-UPJWGTAASA-N 1 2 267.373 1.294 20 30 CDEDLO CNc1ccccc1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000330691842 264003509 /nfs/dbraw/zinc/00/35/09/264003509.db2.gz AAQQBKZHMYNFKS-GFCCVEGCSA-N 1 2 277.368 1.754 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000330873996 264060263 /nfs/dbraw/zinc/06/02/63/264060263.db2.gz ZBQNRXJGNRQSTD-OAHLLOKOSA-N 1 2 277.368 1.205 20 30 CDEDLO O=C(NCCF)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000331225190 264149787 /nfs/dbraw/zinc/14/97/87/264149787.db2.gz DNANZMGRCLWAEZ-UHFFFAOYSA-N 1 2 266.320 1.655 20 30 CDEDLO N#Cc1ccnc(N2CC(n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000531605283 269976646 /nfs/dbraw/zinc/97/66/46/269976646.db2.gz MWHLMYBGBNLDBW-UHFFFAOYSA-N 1 2 270.252 1.119 20 30 CDEDLO CC[C@]1(C)C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CCO1 ZINC000135584870 264601692 /nfs/dbraw/zinc/60/16/92/264601692.db2.gz YUBRACHTPWUMPB-CABCVRRESA-N 1 2 281.400 1.542 20 30 CDEDLO CC[C@]1(C)C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CCO1 ZINC000135584870 264601694 /nfs/dbraw/zinc/60/16/94/264601694.db2.gz YUBRACHTPWUMPB-CABCVRRESA-N 1 2 281.400 1.542 20 30 CDEDLO C=CCCn1cc(C[NH+]2CCC(OCCOC)CC2)nn1 ZINC000653557340 424279209 /nfs/dbraw/zinc/27/92/09/424279209.db2.gz OKVHTULKOKQNJF-UHFFFAOYSA-N 1 2 294.399 1.482 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)nn1 ZINC000653584360 424302207 /nfs/dbraw/zinc/30/22/07/424302207.db2.gz RIUOQRFUQLNFGK-KRWDZBQOSA-N 1 2 298.390 1.946 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCc3ccccc3[C@@H]2CO)nn1 ZINC000653584360 424302212 /nfs/dbraw/zinc/30/22/12/424302212.db2.gz RIUOQRFUQLNFGK-KRWDZBQOSA-N 1 2 298.390 1.946 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H](CO)c2cccc(F)c2)nn1 ZINC000653611583 424339542 /nfs/dbraw/zinc/33/95/42/424339542.db2.gz DQYMAKWNUGIHFU-HNNXBMFYSA-N 1 2 290.342 1.817 20 30 CDEDLO C[C@@H]1C[C@H](CO)C[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000398822686 267089022 /nfs/dbraw/zinc/08/90/22/267089022.db2.gz NUOURXODRPMRQP-MNOVXSKESA-N 1 2 293.392 1.509 20 30 CDEDLO C[C@@H]1C[C@H](CO)C[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000398822686 267089025 /nfs/dbraw/zinc/08/90/25/267089025.db2.gz NUOURXODRPMRQP-MNOVXSKESA-N 1 2 293.392 1.509 20 30 CDEDLO CCOC[C@H]1C[N@H+](Cc2ccc(C#N)s2)CCO1 ZINC000528733082 267141775 /nfs/dbraw/zinc/14/17/75/267141775.db2.gz ULKXTFFEKGHAGI-LLVKDONJSA-N 1 2 266.366 1.857 20 30 CDEDLO CCOC[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CCO1 ZINC000528733082 267141777 /nfs/dbraw/zinc/14/17/77/267141777.db2.gz ULKXTFFEKGHAGI-LLVKDONJSA-N 1 2 266.366 1.857 20 30 CDEDLO Cc1cc(NCC2([S@](C)=O)CCC2)c(C#N)c[nH+]1 ZINC000399431675 267299472 /nfs/dbraw/zinc/29/94/72/267299472.db2.gz IVZJJVYRLZVRAA-SFHVURJKSA-N 1 2 263.366 1.397 20 30 CDEDLO C=C(CNC(=O)[C@@H]1COCC[N@H+]1CC)c1ccccc1 ZINC000377088756 268046202 /nfs/dbraw/zinc/04/62/02/268046202.db2.gz KZVMDIIRTKQNDN-HNNXBMFYSA-N 1 2 274.364 1.537 20 30 CDEDLO C=C(CNC(=O)[C@@H]1COCC[N@@H+]1CC)c1ccccc1 ZINC000377088756 268046205 /nfs/dbraw/zinc/04/62/05/268046205.db2.gz KZVMDIIRTKQNDN-HNNXBMFYSA-N 1 2 274.364 1.537 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000333227930 276919143 /nfs/dbraw/zinc/91/91/43/276919143.db2.gz XMPDJDYOGCCYDL-NDBYEHHHSA-N 1 2 290.367 1.922 20 30 CDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(C#N)cc3)C[C@H]21 ZINC000329967309 277122297 /nfs/dbraw/zinc/12/22/97/277122297.db2.gz WBLKDHHRLRJEBT-ZIAGYGMSSA-N 1 2 286.335 1.105 20 30 CDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(C#N)cc3)C[C@H]21 ZINC000329967309 277122299 /nfs/dbraw/zinc/12/22/99/277122299.db2.gz WBLKDHHRLRJEBT-ZIAGYGMSSA-N 1 2 286.335 1.105 20 30 CDEDLO CC(C)(C)[N@H+](CC(N)=O)Cc1cccc(C#N)c1F ZINC000340912360 278338723 /nfs/dbraw/zinc/33/87/23/278338723.db2.gz QZDWHUXQXKXUNO-UHFFFAOYSA-N 1 2 263.316 1.783 20 30 CDEDLO CC(C)(C)[N@@H+](CC(N)=O)Cc1cccc(C#N)c1F ZINC000340912360 278338724 /nfs/dbraw/zinc/33/87/24/278338724.db2.gz QZDWHUXQXKXUNO-UHFFFAOYSA-N 1 2 263.316 1.783 20 30 CDEDLO C[C@@H]1c2cccn2CCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330274915 289087079 /nfs/dbraw/zinc/08/70/79/289087079.db2.gz KUJSRLQZLJPJBX-CHWSQXEVSA-N 1 2 299.378 1.990 20 30 CDEDLO C[C@@H]1C[N@H+](CCNc2nccc(C#N)c2Cl)CCO1 ZINC000553052522 290091238 /nfs/dbraw/zinc/09/12/38/290091238.db2.gz SCNDQFHHPALZNZ-SNVBAGLBSA-N 1 2 280.759 1.161 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNc2nccc(C#N)c2Cl)CCO1 ZINC000553052522 290091241 /nfs/dbraw/zinc/09/12/41/290091241.db2.gz SCNDQFHHPALZNZ-SNVBAGLBSA-N 1 2 280.759 1.161 20 30 CDEDLO Cc1noc(C2CN(c3cc(C)[nH+]cc3C#N)C2)n1 ZINC000565946758 293716832 /nfs/dbraw/zinc/71/68/32/293716832.db2.gz WSCWEYAHRGOKRU-UHFFFAOYSA-N 1 2 255.281 1.557 20 30 CDEDLO C[C@@H]1CCN(c2cc(C#N)ncn2)C[C@@H]1n1cc[nH+]c1 ZINC000570323845 294216002 /nfs/dbraw/zinc/21/60/02/294216002.db2.gz JWFATSVZNIPMBY-YPMHNXCESA-N 1 2 268.324 1.632 20 30 CDEDLO Cc1cccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2C)c1C#N ZINC000443062044 302010526 /nfs/dbraw/zinc/01/05/26/302010526.db2.gz ABJUVNNGXPOSRK-GFCCVEGCSA-N 1 2 293.392 1.191 20 30 CDEDLO Cc1cccc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2C)c1C#N ZINC000443062044 302010529 /nfs/dbraw/zinc/01/05/29/302010529.db2.gz ABJUVNNGXPOSRK-GFCCVEGCSA-N 1 2 293.392 1.191 20 30 CDEDLO N#CC1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000060893819 303147998 /nfs/dbraw/zinc/14/79/98/303147998.db2.gz HURMDUJYJJLIJV-UHFFFAOYSA-N 1 2 274.368 1.565 20 30 CDEDLO CC1CC(C#N)(C(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000531555242 328017291 /nfs/dbraw/zinc/01/72/91/328017291.db2.gz QXHJTXZWQWEAME-UHFFFAOYSA-N 1 2 298.390 1.666 20 30 CDEDLO COc1ccncc1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000288754521 328253549 /nfs/dbraw/zinc/25/35/49/328253549.db2.gz YJDDQZRUUCTICN-NSHDSACASA-N 1 2 251.286 1.058 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cc(C(=O)OCC)co2)nn1 ZINC000425348468 328469464 /nfs/dbraw/zinc/46/94/64/328469464.db2.gz FBUYWZCGQNBQBO-UHFFFAOYSA-N 1 2 290.323 1.524 20 30 CDEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)C2=CCCCC2)c1C#N ZINC000582658871 325017084 /nfs/dbraw/zinc/01/70/84/325017084.db2.gz UZKNELXLSJHHEZ-UHFFFAOYSA-N 1 2 287.367 1.294 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(F)c(F)cc1F ZINC000584116577 327042127 /nfs/dbraw/zinc/04/21/27/327042127.db2.gz CWSKOZKIHIEBJN-ZDUSSCGKSA-N 1 2 285.269 1.678 20 30 CDEDLO C[C@H]1C[C@@]1(C#N)C(=O)NCCCCNc1cccc[nH+]1 ZINC000448913871 327298393 /nfs/dbraw/zinc/29/83/93/327298393.db2.gz UCVJNFXBGMMGGK-WFASDCNBSA-N 1 2 272.352 1.940 20 30 CDEDLO CCOc1ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000122785747 327367895 /nfs/dbraw/zinc/36/78/95/327367895.db2.gz RJYBQGZCWADZQR-CYBMUJFWSA-N 1 2 278.352 1.670 20 30 CDEDLO CCOc1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000122785747 327367896 /nfs/dbraw/zinc/36/78/96/327367896.db2.gz RJYBQGZCWADZQR-CYBMUJFWSA-N 1 2 278.352 1.670 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CCN3C(=O)N(CC)C(=O)[C@H]3C2)cc1 ZINC000377658460 329023397 /nfs/dbraw/zinc/02/33/97/329023397.db2.gz KAEUITKPTCETRA-OAHLLOKOSA-N 1 2 297.358 1.136 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CCN3C(=O)N(CC)C(=O)[C@H]3C2)cc1 ZINC000377658460 329023398 /nfs/dbraw/zinc/02/33/98/329023398.db2.gz KAEUITKPTCETRA-OAHLLOKOSA-N 1 2 297.358 1.136 20 30 CDEDLO C=CCNC(=O)c1ccc(N2CCn3c[nH+]cc3C2)nc1 ZINC000377982974 329036366 /nfs/dbraw/zinc/03/63/66/329036366.db2.gz GYTOFFYHESCTHE-UHFFFAOYSA-N 1 2 283.335 1.214 20 30 CDEDLO C=CC[C@H](C)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000172131584 329081413 /nfs/dbraw/zinc/08/14/13/329081413.db2.gz CGYUBWRBSHTBKT-LBPRGKRZSA-N 1 2 269.389 1.361 20 30 CDEDLO C=CC[C@H](C)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000172131584 329081415 /nfs/dbraw/zinc/08/14/15/329081415.db2.gz CGYUBWRBSHTBKT-LBPRGKRZSA-N 1 2 269.389 1.361 20 30 CDEDLO CN(C)c1cc(C#N)cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000582549479 329106050 /nfs/dbraw/zinc/10/60/50/329106050.db2.gz COQIPUACDXGWQG-MRXNPFEDSA-N 1 2 299.378 1.198 20 30 CDEDLO CCC(CC)[C@H](C(=O)N[C@H](C)C#N)[NH+]1CCOCC1 ZINC000173281404 329144456 /nfs/dbraw/zinc/14/44/56/329144456.db2.gz AOBKTGQGCOCQKY-DGCLKSJQSA-N 1 2 267.373 1.152 20 30 CDEDLO Cc1cccc2c(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c[nH]c21 ZINC000583756132 329474105 /nfs/dbraw/zinc/47/41/05/329474105.db2.gz QFDZBNQGNBKPKX-QGZVFWFLSA-N 1 2 298.390 1.979 20 30 CDEDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)NC2(C#N)CCC2)s1 ZINC000527127952 330224997 /nfs/dbraw/zinc/22/49/97/330224997.db2.gz FCSZBSVFYPOSAG-MRVPVSSYSA-N 1 2 279.369 1.060 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2c(C)nn(C)c2C)nn1 ZINC000424174300 330314289 /nfs/dbraw/zinc/31/42/89/330314289.db2.gz ROIUIZQRPZQLNG-UHFFFAOYSA-N 1 2 260.345 1.104 20 30 CDEDLO N#CCCC[C@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000424198892 330326254 /nfs/dbraw/zinc/32/62/54/330326254.db2.gz YKMLABMFXMKDFI-VIFPVBQESA-N 1 2 278.268 1.260 20 30 CDEDLO C=CC[N@@H+](CCOCCC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000120767395 330391077 /nfs/dbraw/zinc/39/10/77/330391077.db2.gz ASGNJGGXCONIHV-CQSZACIVSA-N 1 2 289.441 1.724 20 30 CDEDLO C=CC[N@H+](CCOCCC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000120767395 330391078 /nfs/dbraw/zinc/39/10/78/330391078.db2.gz ASGNJGGXCONIHV-CQSZACIVSA-N 1 2 289.441 1.724 20 30 CDEDLO C[C@@H](c1ccccc1)[C@H]([NH2+]CC1(C#N)CC1)C(N)=O ZINC000428833517 330531851 /nfs/dbraw/zinc/53/18/51/330531851.db2.gz IYUDTTBVHUWAAO-AAEUAGOBSA-N 1 2 257.337 1.537 20 30 CDEDLO C=C(C)CN(CC)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000430254926 330565333 /nfs/dbraw/zinc/56/53/33/330565333.db2.gz VVQGHKDITMSAHT-GFCCVEGCSA-N 1 2 262.357 1.806 20 30 CDEDLO CC(C)[C@H](C(=O)N[C@@H](C)C#N)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000432346800 330597635 /nfs/dbraw/zinc/59/76/35/330597635.db2.gz MRJRWVRVDAYNQC-UMSGYPCISA-N 1 2 267.373 1.148 20 30 CDEDLO C=CCOCCC[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000450912549 331006782 /nfs/dbraw/zinc/00/67/82/331006782.db2.gz XSVBZIDPXGVLNW-LLVKDONJSA-N 1 2 267.329 1.547 20 30 CDEDLO C=CCOCCC[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000450912549 331006783 /nfs/dbraw/zinc/00/67/83/331006783.db2.gz XSVBZIDPXGVLNW-LLVKDONJSA-N 1 2 267.329 1.547 20 30 CDEDLO C[C@H](O)C[N@@H+](CCCSCC#N)CC(F)F ZINC000451853682 331044802 /nfs/dbraw/zinc/04/48/02/331044802.db2.gz PKRMEYLEKBOKFN-VIFPVBQESA-N 1 2 252.330 1.581 20 30 CDEDLO C[C@H](O)C[N@H+](CCCSCC#N)CC(F)F ZINC000451853682 331044801 /nfs/dbraw/zinc/04/48/01/331044801.db2.gz PKRMEYLEKBOKFN-VIFPVBQESA-N 1 2 252.330 1.581 20 30 CDEDLO C=C(CC)CNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000454252957 331142963 /nfs/dbraw/zinc/14/29/63/331142963.db2.gz WCYWXKANVRRCAC-UHFFFAOYSA-N 1 2 262.357 1.913 20 30 CDEDLO C[C@@H]1CN(CC[N@H+](C)C[C@@H](C#N)CCC#N)C[C@H](C)O1 ZINC000195312556 331168710 /nfs/dbraw/zinc/16/87/10/331168710.db2.gz WXQBFLFLEXGBOT-QLFBSQMISA-N 1 2 278.400 1.471 20 30 CDEDLO C[C@@H]1CN(CC[N@@H+](C)C[C@@H](C#N)CCC#N)C[C@H](C)O1 ZINC000195312556 331168711 /nfs/dbraw/zinc/16/87/11/331168711.db2.gz WXQBFLFLEXGBOT-QLFBSQMISA-N 1 2 278.400 1.471 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000458812081 331261063 /nfs/dbraw/zinc/26/10/63/331261063.db2.gz QJPDPKAMIZTZTD-AWEZNQCLSA-N 1 2 297.443 1.999 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000458812081 331261064 /nfs/dbraw/zinc/26/10/64/331261064.db2.gz QJPDPKAMIZTZTD-AWEZNQCLSA-N 1 2 297.443 1.999 20 30 CDEDLO C#CC[N@@H+](CC#CC)C[C@H](O)COc1cccc(C(C)=O)c1 ZINC000490676395 332102396 /nfs/dbraw/zinc/10/23/96/332102396.db2.gz HPLHXUNYBHHDNQ-KRWDZBQOSA-N 1 2 299.370 1.587 20 30 CDEDLO C#CC[N@H+](CC#CC)C[C@H](O)COc1cccc(C(C)=O)c1 ZINC000490676395 332102397 /nfs/dbraw/zinc/10/23/97/332102397.db2.gz HPLHXUNYBHHDNQ-KRWDZBQOSA-N 1 2 299.370 1.587 20 30 CDEDLO C#CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C1CCCC1 ZINC000490829528 332118351 /nfs/dbraw/zinc/11/83/51/332118351.db2.gz CLUFKAIVHMQMFT-UHFFFAOYSA-N 1 2 262.313 1.706 20 30 CDEDLO C#CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CCCC1 ZINC000490829528 332118352 /nfs/dbraw/zinc/11/83/52/332118352.db2.gz CLUFKAIVHMQMFT-UHFFFAOYSA-N 1 2 262.313 1.706 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cn(C)nc1-c1cccnc1 ZINC000490917454 332128939 /nfs/dbraw/zinc/12/89/39/332128939.db2.gz XWIDMWGSKQQCRR-UHFFFAOYSA-N 1 2 278.359 1.941 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cn(C)nc1-c1cccnc1 ZINC000490917454 332128940 /nfs/dbraw/zinc/12/89/40/332128940.db2.gz XWIDMWGSKQQCRR-UHFFFAOYSA-N 1 2 278.359 1.941 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(CF)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000490923180 332129621 /nfs/dbraw/zinc/12/96/21/332129621.db2.gz IYKAEOMGQPAQCD-HNNXBMFYSA-N 1 2 295.379 1.778 20 30 CDEDLO C#CC[N@H+](Cc1ccc(CF)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000490923180 332129623 /nfs/dbraw/zinc/12/96/23/332129623.db2.gz IYKAEOMGQPAQCD-HNNXBMFYSA-N 1 2 295.379 1.778 20 30 CDEDLO C#CC[NH+]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000491220838 332168718 /nfs/dbraw/zinc/16/87/18/332168718.db2.gz QRGYFNSVKCNGKM-UHFFFAOYSA-N 1 2 290.279 1.258 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCc1cccc(OCC)c1)C1CC1 ZINC000491348574 332194239 /nfs/dbraw/zinc/19/42/39/332194239.db2.gz DKGDADYVQJSHPI-UHFFFAOYSA-N 1 2 286.375 1.799 20 30 CDEDLO C#CC[N@H+](CC(=O)NCc1cccc(OCC)c1)C1CC1 ZINC000491348574 332194241 /nfs/dbraw/zinc/19/42/41/332194241.db2.gz DKGDADYVQJSHPI-UHFFFAOYSA-N 1 2 286.375 1.799 20 30 CDEDLO C#CCNC(=O)CC[NH2+]c1ccc(O)cc1CCOC ZINC000491426363 332209101 /nfs/dbraw/zinc/20/91/01/332209101.db2.gz FZAQEPCPZBZTFQ-UHFFFAOYSA-N 1 2 276.336 1.133 20 30 CDEDLO C#C[C@H]1COCCN1c1nc(C)[nH+]c2c1CCCC2 ZINC000491628106 332251363 /nfs/dbraw/zinc/25/13/63/332251363.db2.gz KJEWHXIBTKHEFH-LBPRGKRZSA-N 1 2 257.337 1.502 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(OCC(=O)OC)cc1 ZINC000491670481 332277725 /nfs/dbraw/zinc/27/77/25/332277725.db2.gz QVPYBRSLZKVYCK-AWEZNQCLSA-N 1 2 289.331 1.072 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(OCC(=O)OC)cc1 ZINC000491670481 332277726 /nfs/dbraw/zinc/27/77/26/332277726.db2.gz QVPYBRSLZKVYCK-AWEZNQCLSA-N 1 2 289.331 1.072 20 30 CDEDLO C#CC[N@@H+](CC1(C)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491673530 332279430 /nfs/dbraw/zinc/27/94/30/332279430.db2.gz QGERHNWTZODKND-GFCCVEGCSA-N 1 2 255.383 1.299 20 30 CDEDLO C#CC[N@H+](CC1(C)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491673530 332279432 /nfs/dbraw/zinc/27/94/32/332279432.db2.gz QGERHNWTZODKND-GFCCVEGCSA-N 1 2 255.383 1.299 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000491781126 332345453 /nfs/dbraw/zinc/34/54/53/332345453.db2.gz MWUDZWYVNASAHM-OCCSQVGLSA-N 1 2 272.348 1.945 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000491781126 332345455 /nfs/dbraw/zinc/34/54/55/332345455.db2.gz MWUDZWYVNASAHM-OCCSQVGLSA-N 1 2 272.348 1.945 20 30 CDEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@](C)(C#N)CCOC ZINC000493010562 332422509 /nfs/dbraw/zinc/42/25/09/332422509.db2.gz YMLGELWERXAJGL-GXMNPTEKSA-N 1 2 276.340 1.351 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606318 333090433 /nfs/dbraw/zinc/09/04/33/333090433.db2.gz YSCPPLVKVGUQTF-NSHDSACASA-N 1 2 289.335 1.644 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606318 333090434 /nfs/dbraw/zinc/09/04/34/333090434.db2.gz YSCPPLVKVGUQTF-NSHDSACASA-N 1 2 289.335 1.644 20 30 CDEDLO CN(CC#N)C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000576050903 335146169 /nfs/dbraw/zinc/14/61/69/335146169.db2.gz VRNMPYZIRAWXQO-QMMMGPOBSA-N 1 2 274.246 1.438 20 30 CDEDLO Cc1cccn2cc(CC(=O)NCC3(C#N)CC3)[nH+]c12 ZINC000576063548 335148097 /nfs/dbraw/zinc/14/80/97/335148097.db2.gz LBLHAHMEVJEXRK-UHFFFAOYSA-N 1 2 268.320 1.605 20 30 CDEDLO N#CCC[C@@H](C#N)CNCc1c[nH+]c2n1CCCC2 ZINC000550999498 334235676 /nfs/dbraw/zinc/23/56/76/334235676.db2.gz JJBBUZYAQZUKER-LBPRGKRZSA-N 1 2 257.341 1.753 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cnc2n1CCCC2 ZINC000550999498 334235677 /nfs/dbraw/zinc/23/56/77/334235677.db2.gz JJBBUZYAQZUKER-LBPRGKRZSA-N 1 2 257.341 1.753 20 30 CDEDLO C[C@H](C#N)CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248460688 334302801 /nfs/dbraw/zinc/30/28/01/334302801.db2.gz WSEVJNUEROPEJK-AGIUHOORSA-N 1 2 275.356 1.635 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1cccc(C#N)c1 ZINC000566309939 334642264 /nfs/dbraw/zinc/64/22/64/334642264.db2.gz YHOHRZDYCDZCQA-OAHLLOKOSA-N 1 2 270.336 1.061 20 30 CDEDLO C[C@H](Cc1ccccc1F)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000566309992 334642326 /nfs/dbraw/zinc/64/23/26/334642326.db2.gz ZEUIYELTDVPGJO-MLGOLLRUSA-N 1 2 291.370 1.964 20 30 CDEDLO CCC[C@@H]1C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CCO1 ZINC000576707547 335238044 /nfs/dbraw/zinc/23/80/44/335238044.db2.gz SCAMGVGGGFVVMZ-GUTXKFCHSA-N 1 2 281.400 1.542 20 30 CDEDLO N#CC1(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000577696537 335389713 /nfs/dbraw/zinc/38/97/13/335389713.db2.gz XIXRSKPBUITQOJ-UHFFFAOYSA-N 1 2 287.367 1.365 20 30 CDEDLO N#CCC[NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000579582882 335812359 /nfs/dbraw/zinc/81/23/59/335812359.db2.gz SEQPFPZPLYXGRA-OAHLLOKOSA-N 1 2 287.363 1.599 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1nc(C)c(C)o1 ZINC001481132393 1159538958 /nfs/dbraw/zinc/53/89/58/1159538958.db2.gz NQEPJCCPQHLEBA-LLVKDONJSA-N 1 2 292.383 1.779 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1nc(C)c(C)o1 ZINC001481132393 1159538962 /nfs/dbraw/zinc/53/89/62/1159538962.db2.gz NQEPJCCPQHLEBA-LLVKDONJSA-N 1 2 292.383 1.779 20 30 CDEDLO CC[N@H+](CC#CCOC)CC(=O)Nc1cccc(OC)c1 ZINC000677477944 482680883 /nfs/dbraw/zinc/68/08/83/482680883.db2.gz GIIBUOJSMCKZQX-UHFFFAOYSA-N 1 2 290.363 1.605 20 30 CDEDLO CC[N@@H+](CC#CCOC)CC(=O)Nc1cccc(OC)c1 ZINC000677477944 482680887 /nfs/dbraw/zinc/68/08/87/482680887.db2.gz GIIBUOJSMCKZQX-UHFFFAOYSA-N 1 2 290.363 1.605 20 30 CDEDLO C=C[C@@](C)(O)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000666489265 482732897 /nfs/dbraw/zinc/73/28/97/482732897.db2.gz GCAUNFFREJJNNT-MRXNPFEDSA-N 1 2 289.379 1.625 20 30 CDEDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000361642717 482754234 /nfs/dbraw/zinc/75/42/34/482754234.db2.gz KEBDQFCJVLVCFE-SECBINFHSA-N 1 2 250.273 1.691 20 30 CDEDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000361642717 482754240 /nfs/dbraw/zinc/75/42/40/482754240.db2.gz KEBDQFCJVLVCFE-SECBINFHSA-N 1 2 250.273 1.691 20 30 CDEDLO C=C(C)CS(=O)(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000684761409 482956981 /nfs/dbraw/zinc/95/69/81/482956981.db2.gz UMGPTGVMIQHQNF-UHFFFAOYSA-N 1 2 280.393 1.498 20 30 CDEDLO C=CCN(CCOC)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682970641 483392210 /nfs/dbraw/zinc/39/22/10/483392210.db2.gz QDGBVZIZHLXETR-GFCCVEGCSA-N 1 2 263.341 1.107 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccnn2CCC)C1=O ZINC000668100205 483562973 /nfs/dbraw/zinc/56/29/73/483562973.db2.gz FUCKAJIEYXZVCR-AWEZNQCLSA-N 1 2 276.384 1.512 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccnn2CCC)C1=O ZINC000668100205 483562979 /nfs/dbraw/zinc/56/29/79/483562979.db2.gz FUCKAJIEYXZVCR-AWEZNQCLSA-N 1 2 276.384 1.512 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001128242281 1161461766 /nfs/dbraw/zinc/46/17/66/1161461766.db2.gz LMMQVLHYOGUMHD-UHFFFAOYSA-N 1 2 266.345 1.186 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ncc(C)cc2C)C1 ZINC001035453669 1161523321 /nfs/dbraw/zinc/52/33/21/1161523321.db2.gz COSLCCCVENASSE-AWEZNQCLSA-N 1 2 289.379 1.315 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ncc(C)cc2C)C1 ZINC001035453669 1161523324 /nfs/dbraw/zinc/52/33/24/1161523324.db2.gz COSLCCCVENASSE-AWEZNQCLSA-N 1 2 289.379 1.315 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2cscn2)C1 ZINC001108264622 1161971562 /nfs/dbraw/zinc/97/15/62/1161971562.db2.gz WCWQNRRRQNVUGZ-CQSZACIVSA-N 1 2 295.408 1.079 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2cscn2)C1 ZINC001108264622 1161971565 /nfs/dbraw/zinc/97/15/65/1161971565.db2.gz WCWQNRRRQNVUGZ-CQSZACIVSA-N 1 2 295.408 1.079 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC ZINC001109591091 1162034344 /nfs/dbraw/zinc/03/43/44/1162034344.db2.gz QGOTZLHFRIVXIT-AGIUHOORSA-N 1 2 293.411 1.056 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC ZINC001109591091 1162034346 /nfs/dbraw/zinc/03/43/46/1162034346.db2.gz QGOTZLHFRIVXIT-AGIUHOORSA-N 1 2 293.411 1.056 20 30 CDEDLO C=C(Br)C[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000789333992 1162085786 /nfs/dbraw/zinc/08/57/86/1162085786.db2.gz FIAZMOPIMXLHGH-LLVKDONJSA-N 1 2 277.206 1.548 20 30 CDEDLO C=C(Br)C[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000789333992 1162085788 /nfs/dbraw/zinc/08/57/88/1162085788.db2.gz FIAZMOPIMXLHGH-LLVKDONJSA-N 1 2 277.206 1.548 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](COC)c1ccc(CC)o1 ZINC000184811456 518282811 /nfs/dbraw/zinc/28/28/11/518282811.db2.gz DJMROQIQDGKOHI-YPMHNXCESA-N 1 2 278.352 1.257 20 30 CDEDLO O=C(CSCC(=O)N1CCCCC1)NCc1[nH]cc[nH+]1 ZINC000329299254 534648355 /nfs/dbraw/zinc/64/83/55/534648355.db2.gz LXDNGSDIEVQUSR-UHFFFAOYSA-N 1 2 296.396 1.612 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001113713503 1162263828 /nfs/dbraw/zinc/26/38/28/1162263828.db2.gz RTHXRCTWISLQMN-AWEZNQCLSA-N 1 2 296.411 1.148 20 30 CDEDLO Cc1ncc(C(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)[nH]1 ZINC000330338401 534724061 /nfs/dbraw/zinc/72/40/61/534724061.db2.gz VIWRKNNARBFUBX-MFKMUULPSA-N 1 2 289.339 1.677 20 30 CDEDLO Cc1cccc2[nH+]c(CNc3ccnc(C#N)c3)cn21 ZINC000340033488 524977733 /nfs/dbraw/zinc/97/77/33/524977733.db2.gz ZNZUYAAKLMDGLJ-UHFFFAOYSA-N 1 2 263.304 1.943 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1Cc2ccccc2C1 ZINC000107306749 526610256 /nfs/dbraw/zinc/61/02/56/526610256.db2.gz NITZYWAEUONGDQ-NSHDSACASA-N 1 2 273.336 1.403 20 30 CDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](O)C2)cc1Cl ZINC000061708579 526651201 /nfs/dbraw/zinc/65/12/01/526651201.db2.gz QSUOTKLZYGXVPL-LLVKDONJSA-N 1 2 279.727 1.217 20 30 CDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](O)C2)cc1Cl ZINC000061708579 526651204 /nfs/dbraw/zinc/65/12/04/526651204.db2.gz QSUOTKLZYGXVPL-LLVKDONJSA-N 1 2 279.727 1.217 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000106861288 527125104 /nfs/dbraw/zinc/12/51/04/527125104.db2.gz ONAYTOOVMWOYPG-AWEZNQCLSA-N 1 2 293.388 1.318 20 30 CDEDLO C#CCOc1ccccc1C[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000106861288 527125107 /nfs/dbraw/zinc/12/51/07/527125107.db2.gz ONAYTOOVMWOYPG-AWEZNQCLSA-N 1 2 293.388 1.318 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000353627652 527528581 /nfs/dbraw/zinc/52/85/81/527528581.db2.gz ZHNTUQFEMJTRCW-BBRMVZONSA-N 1 2 291.395 1.965 20 30 CDEDLO CC1(CNC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000330190698 527900539 /nfs/dbraw/zinc/90/05/39/527900539.db2.gz MOEQKCTZGAIJMO-LLVKDONJSA-N 1 2 262.357 1.892 20 30 CDEDLO CC1(C[NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000330190698 527900546 /nfs/dbraw/zinc/90/05/46/527900546.db2.gz MOEQKCTZGAIJMO-LLVKDONJSA-N 1 2 262.357 1.892 20 30 CDEDLO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCc1nc(C)n[nH]1 ZINC000329126325 528218775 /nfs/dbraw/zinc/21/87/75/528218775.db2.gz UFKBNEBTVLTIGH-LLVKDONJSA-N 1 2 265.361 1.487 20 30 CDEDLO CCC[N@H+]1CCC[C@@H]1C(=O)NCCc1nc(C)n[nH]1 ZINC000329126325 528218778 /nfs/dbraw/zinc/21/87/78/528218778.db2.gz UFKBNEBTVLTIGH-LLVKDONJSA-N 1 2 265.361 1.487 20 30 CDEDLO C#CCOCCNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000753377339 574750341 /nfs/dbraw/zinc/75/03/41/574750341.db2.gz ACGVCMAKPQDEHD-ZIAGYGMSSA-N 1 2 290.367 1.125 20 30 CDEDLO N#CCOc1ccc(CNC(=O)CCCn2cc[nH+]c2)cc1 ZINC000729368335 574754964 /nfs/dbraw/zinc/75/49/64/574754964.db2.gz CHBUMHYUYIHKHX-UHFFFAOYSA-N 1 2 298.346 1.882 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000730270907 574907069 /nfs/dbraw/zinc/90/70/69/574907069.db2.gz JZMZAIWOYMHDPH-ZDUSSCGKSA-N 1 2 284.319 1.305 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000730270907 574907072 /nfs/dbraw/zinc/90/70/72/574907072.db2.gz JZMZAIWOYMHDPH-ZDUSSCGKSA-N 1 2 284.319 1.305 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCCSC(C)(C)C ZINC000730282334 574909690 /nfs/dbraw/zinc/90/96/90/574909690.db2.gz GQMZMPRGOQHGJQ-LBPRGKRZSA-N 1 2 268.426 1.732 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCSC(C)(C)C ZINC000730282334 574909693 /nfs/dbraw/zinc/90/96/93/574909693.db2.gz GQMZMPRGOQHGJQ-LBPRGKRZSA-N 1 2 268.426 1.732 20 30 CDEDLO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ncc(C#N)s1 ZINC000759630708 574924464 /nfs/dbraw/zinc/92/44/64/574924464.db2.gz DWCSCXYDTKUJMH-JTQLQIEISA-N 1 2 264.354 1.828 20 30 CDEDLO CC[N@H+]1CCCC[C@H]1C(=O)Nc1ncc(C#N)s1 ZINC000759630708 574924466 /nfs/dbraw/zinc/92/44/66/574924466.db2.gz DWCSCXYDTKUJMH-JTQLQIEISA-N 1 2 264.354 1.828 20 30 CDEDLO C#CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000753906477 574934654 /nfs/dbraw/zinc/93/46/54/574934654.db2.gz DANUWXBKQDCREG-CYBMUJFWSA-N 1 2 257.268 1.398 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000732159450 575081981 /nfs/dbraw/zinc/08/19/81/575081981.db2.gz KWDVPDUUFDNBRE-AWEZNQCLSA-N 1 2 295.346 1.508 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000732159450 575081982 /nfs/dbraw/zinc/08/19/82/575081982.db2.gz KWDVPDUUFDNBRE-AWEZNQCLSA-N 1 2 295.346 1.508 20 30 CDEDLO Cc1ccc(CCC=NNC(=S)N(C)C)c[nH+]1 ZINC000774385905 575202014 /nfs/dbraw/zinc/20/20/14/575202014.db2.gz TZFLGMPGFBEQOL-UHFFFAOYSA-N 1 2 250.371 1.745 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(CO)c1 ZINC000762934383 576695095 /nfs/dbraw/zinc/69/50/95/576695095.db2.gz MOHJQHAYWUXAQT-AWEZNQCLSA-N 1 2 258.321 1.215 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(CO)c1 ZINC000762934383 576695096 /nfs/dbraw/zinc/69/50/96/576695096.db2.gz MOHJQHAYWUXAQT-AWEZNQCLSA-N 1 2 258.321 1.215 20 30 CDEDLO CC[C@@H](NC(=O)C#Cc1ccc2c(c1)OCO2)c1[nH]cc[nH+]1 ZINC000769669977 575369405 /nfs/dbraw/zinc/36/94/05/575369405.db2.gz OSPORSQOMRIINB-GFCCVEGCSA-N 1 2 297.314 1.757 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000736673715 575717110 /nfs/dbraw/zinc/71/71/10/575717110.db2.gz NIZZSLUEUQFCIR-UKRRQHHQSA-N 1 2 287.363 1.024 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CC(O)(C(C)C)C1 ZINC000773894044 575818518 /nfs/dbraw/zinc/81/85/18/575818518.db2.gz RICNKCCONBPXNP-GXTWGEPZSA-N 1 2 281.400 1.132 20 30 CDEDLO C=C(Cl)CNC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000773996549 575847393 /nfs/dbraw/zinc/84/73/93/575847393.db2.gz ZLODGEBKJSVTIP-VXGBXAGGSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)CNC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000773996549 575847394 /nfs/dbraw/zinc/84/73/94/575847394.db2.gz ZLODGEBKJSVTIP-VXGBXAGGSA-N 1 2 274.792 1.745 20 30 CDEDLO Nc1[nH+]cccc1CN=Nc1nc(-c2ccncc2)no1 ZINC000764680959 575933731 /nfs/dbraw/zinc/93/37/31/575933731.db2.gz LAPBNUTWALYLOT-UHFFFAOYSA-N 1 2 281.279 1.555 20 30 CDEDLO CCO[C@@H]1CCCC1N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000766452328 576103389 /nfs/dbraw/zinc/10/33/89/576103389.db2.gz FHWHYHCSCRARAO-GMXVVIOVSA-N 1 2 264.373 1.791 20 30 CDEDLO Cc1nccnc1C(C)N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761837005 576596668 /nfs/dbraw/zinc/59/66/68/576596668.db2.gz PNOIYKYWFQOEHN-UHFFFAOYSA-N 1 2 294.322 1.597 20 30 CDEDLO C=CCOCC(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000746323695 576771628 /nfs/dbraw/zinc/77/16/28/576771628.db2.gz JTBCUKVBCNOCKT-UHFFFAOYSA-N 1 2 276.327 1.377 20 30 CDEDLO C=CCOCC(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746323695 576771629 /nfs/dbraw/zinc/77/16/29/576771629.db2.gz JTBCUKVBCNOCKT-UHFFFAOYSA-N 1 2 276.327 1.377 20 30 CDEDLO C#CCNC(=O)COc1ccccc1-n1cc[nH+]c1 ZINC000747857246 576887254 /nfs/dbraw/zinc/88/72/54/576887254.db2.gz KJLXPACSRASOGQ-UHFFFAOYSA-N 1 2 255.277 1.001 20 30 CDEDLO C#C[C@H](CC)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000754371391 576893512 /nfs/dbraw/zinc/89/35/12/576893512.db2.gz FPSLEPGNLGUFMJ-GFCCVEGCSA-N 1 2 254.293 1.409 20 30 CDEDLO N#CCOc1ccccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000748322113 576905183 /nfs/dbraw/zinc/90/51/83/576905183.db2.gz KQHXSQPGUAJJGZ-UHFFFAOYSA-N 1 2 256.265 1.242 20 30 CDEDLO N#CCOc1ccccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000748322113 576905185 /nfs/dbraw/zinc/90/51/85/576905185.db2.gz KQHXSQPGUAJJGZ-UHFFFAOYSA-N 1 2 256.265 1.242 20 30 CDEDLO N#CCOc1ccc(CC(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000748321007 576905342 /nfs/dbraw/zinc/90/53/42/576905342.db2.gz AKZLITRWSIUMBR-UHFFFAOYSA-N 1 2 270.292 1.171 20 30 CDEDLO N#CCOc1ccc(CC(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000748321007 576905343 /nfs/dbraw/zinc/90/53/43/576905343.db2.gz AKZLITRWSIUMBR-UHFFFAOYSA-N 1 2 270.292 1.171 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CN(CC)c2ccccc2C)CC1 ZINC000748813663 576926471 /nfs/dbraw/zinc/92/64/71/576926471.db2.gz PKLUYGMWYNHTLO-UHFFFAOYSA-N 1 2 299.418 1.599 20 30 CDEDLO C=CCNC(=S)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000755398428 576943210 /nfs/dbraw/zinc/94/32/10/576943210.db2.gz PVDMZZOCJLLJKC-SNVBAGLBSA-N 1 2 250.371 1.270 20 30 CDEDLO CC(C)C[N@H+](CCC#N)CN1C[C@@]2(CCOC2)CC1=O ZINC000756850075 577009010 /nfs/dbraw/zinc/00/90/10/577009010.db2.gz UORJAATUKCVYQL-OAHLLOKOSA-N 1 2 279.384 1.455 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)CN1C[C@@]2(CCOC2)CC1=O ZINC000756850075 577009012 /nfs/dbraw/zinc/00/90/12/577009012.db2.gz UORJAATUKCVYQL-OAHLLOKOSA-N 1 2 279.384 1.455 20 30 CDEDLO C=CCCC(C)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000758073743 577071310 /nfs/dbraw/zinc/07/13/10/577071310.db2.gz MDDYGSSBAYQMIO-UHFFFAOYSA-N 1 2 284.429 1.125 20 30 CDEDLO Cc1nn2c([nH]c3ccccc3c2=O)c1C=[NH+]NC1CC1 ZINC000758128631 577073511 /nfs/dbraw/zinc/07/35/11/577073511.db2.gz AOBPZEIVWJJAAY-UHFFFAOYSA-N 1 2 281.319 1.570 20 30 CDEDLO CCOC[C@@H]1CCC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758226673 577085438 /nfs/dbraw/zinc/08/54/38/577085438.db2.gz SFSAGYXOODCKPN-CYBMUJFWSA-N 1 2 275.352 1.426 20 30 CDEDLO CCOC[C@@H]1CCC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758226673 577085439 /nfs/dbraw/zinc/08/54/39/577085439.db2.gz SFSAGYXOODCKPN-CYBMUJFWSA-N 1 2 275.352 1.426 20 30 CDEDLO C#CCOCCNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000752756551 577123790 /nfs/dbraw/zinc/12/37/90/577123790.db2.gz PYUFAIYJSFRVOM-UHFFFAOYSA-N 1 2 276.340 1.227 20 30 CDEDLO C#CCOCCNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000753377312 577164301 /nfs/dbraw/zinc/16/43/01/577164301.db2.gz ACGVCMAKPQDEHD-KBPBESRZSA-N 1 2 290.367 1.125 20 30 CDEDLO C#Cc1cncc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000807158006 617223640 /nfs/dbraw/zinc/22/36/40/617223640.db2.gz IDYDNRDFWMYVEZ-ZDUSSCGKSA-N 1 2 280.331 1.426 20 30 CDEDLO CC#CC[N@H+](C)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000339749586 617255976 /nfs/dbraw/zinc/25/59/76/617255976.db2.gz IYSSVKIMNGNHPO-UHFFFAOYSA-N 1 2 281.377 1.424 20 30 CDEDLO CC#CC[N@@H+](C)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000339749586 617255979 /nfs/dbraw/zinc/25/59/79/617255979.db2.gz IYSSVKIMNGNHPO-UHFFFAOYSA-N 1 2 281.377 1.424 20 30 CDEDLO C#CCC[C@@H](O)CNc1cc(NCCCC)[nH+]c(N)n1 ZINC000804686323 617316179 /nfs/dbraw/zinc/31/61/79/617316179.db2.gz KRKKPNZOMOJDNJ-LLVKDONJSA-N 1 2 277.372 1.457 20 30 CDEDLO C#CCC[C@@H](O)CNc1cc(NCCCC)nc(N)[nH+]1 ZINC000804686323 617316181 /nfs/dbraw/zinc/31/61/81/617316181.db2.gz KRKKPNZOMOJDNJ-LLVKDONJSA-N 1 2 277.372 1.457 20 30 CDEDLO C#Cc1ccccc1CC(=O)N1CC[NH+](CC=C)CC1 ZINC000957467598 613204916 /nfs/dbraw/zinc/20/49/16/613204916.db2.gz XHBDAVXOAAMXEX-UHFFFAOYSA-N 1 2 268.360 1.541 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(CC)CC3)C2)C1 ZINC000972541108 613211891 /nfs/dbraw/zinc/21/18/91/613211891.db2.gz XDJVNHFQTBCVDG-MRXNPFEDSA-N 1 2 276.380 1.113 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(CC)CC3)C2)C1 ZINC000972541108 613211893 /nfs/dbraw/zinc/21/18/93/613211893.db2.gz XDJVNHFQTBCVDG-MRXNPFEDSA-N 1 2 276.380 1.113 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)SC)C2)C1 ZINC000972341058 613212960 /nfs/dbraw/zinc/21/29/60/613212960.db2.gz AKVVXPNGKCZAOU-DZGCQCFKSA-N 1 2 296.436 1.065 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)SC)C2)C1 ZINC000972341058 613212961 /nfs/dbraw/zinc/21/29/61/613212961.db2.gz AKVVXPNGKCZAOU-DZGCQCFKSA-N 1 2 296.436 1.065 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000981740897 613240658 /nfs/dbraw/zinc/24/06/58/613240658.db2.gz ISKVJIBLBBDEET-ZDUSSCGKSA-N 1 2 293.411 1.012 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000981740897 613240661 /nfs/dbraw/zinc/24/06/61/613240661.db2.gz ISKVJIBLBBDEET-ZDUSSCGKSA-N 1 2 293.411 1.012 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC000968669455 613250551 /nfs/dbraw/zinc/25/05/51/613250551.db2.gz NHMCQSPQXSNFKL-GWCFXTLKSA-N 1 2 291.420 1.833 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC000968669455 613250554 /nfs/dbraw/zinc/25/05/54/613250554.db2.gz NHMCQSPQXSNFKL-GWCFXTLKSA-N 1 2 291.420 1.833 20 30 CDEDLO C=C(C)CC[NH+]1CCN(C(=O)c2snnc2CC)CC1 ZINC000949157547 613263306 /nfs/dbraw/zinc/26/33/06/613263306.db2.gz QOODFXJHFFFQEJ-UHFFFAOYSA-N 1 2 294.424 1.825 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@@]23CCOC3)C1 ZINC000957108505 613295133 /nfs/dbraw/zinc/29/51/33/613295133.db2.gz GBUQTSBDCFQCIJ-GOEBONIOSA-N 1 2 278.396 1.522 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCO[C@H]2C)C1 ZINC000949966462 613295643 /nfs/dbraw/zinc/29/56/43/613295643.db2.gz VMDWDGVSSQPMQA-ZFWWWQNUSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc3cnccc3n2)CC1 ZINC000950710958 613321021 /nfs/dbraw/zinc/32/10/21/613321021.db2.gz IQQJACUSFZCBLG-UHFFFAOYSA-N 1 2 296.374 1.964 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2csc3cncn32)CC1 ZINC000951126920 613321647 /nfs/dbraw/zinc/32/16/47/613321647.db2.gz RJMJBPZESCHPHR-UHFFFAOYSA-N 1 2 290.392 1.730 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccncn2)C1 ZINC000970608745 613372398 /nfs/dbraw/zinc/37/23/98/613372398.db2.gz NVIZJILCHUMXGN-JTQLQIEISA-N 1 2 280.759 1.279 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc[n+]([O-])cc2)C1 ZINC000969243536 613372452 /nfs/dbraw/zinc/37/24/52/613372452.db2.gz DBJRHXUWMIBCCT-NSHDSACASA-N 1 2 295.770 1.123 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccncc2)C1 ZINC000969203056 613372471 /nfs/dbraw/zinc/37/24/71/613372471.db2.gz QFRNCXKLDZDVGG-NSHDSACASA-N 1 2 279.771 1.884 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2coc(OC)n2)C1 ZINC000970220437 613372515 /nfs/dbraw/zinc/37/25/15/613372515.db2.gz LTAJDKCJFHURCI-VIFPVBQESA-N 1 2 299.758 1.486 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2nc(C)c[nH]2)C(C)(C)C1 ZINC000977291610 613380243 /nfs/dbraw/zinc/38/02/43/613380243.db2.gz JHUVGSVLPBVWRM-LLVKDONJSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2nc(C)c[nH]2)C(C)(C)C1 ZINC000977291610 613380244 /nfs/dbraw/zinc/38/02/44/613380244.db2.gz JHUVGSVLPBVWRM-LLVKDONJSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCOC2)C(C)(C)C1 ZINC000972844383 613380860 /nfs/dbraw/zinc/38/08/60/613380860.db2.gz POPLAZMCYWVLED-NEPJUHHUSA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCOC2)C(C)(C)C1 ZINC000972844383 613380861 /nfs/dbraw/zinc/38/08/61/613380861.db2.gz POPLAZMCYWVLED-NEPJUHHUSA-N 1 2 286.803 1.602 20 30 CDEDLO C=CCC[NH+]1CCN(C(=O)c2cc(CCC)[nH]n2)CC1 ZINC000949580404 613509766 /nfs/dbraw/zinc/50/97/66/613509766.db2.gz NLFMLKLRUCENAV-UHFFFAOYSA-N 1 2 276.384 1.696 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2cc(OCC)no2)CC1 ZINC000981629573 613554436 /nfs/dbraw/zinc/55/44/36/613554436.db2.gz IZJFLCGHDWKNDK-UHFFFAOYSA-N 1 2 291.351 1.245 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2cc(OCC)no2)CC1 ZINC000981629573 613554437 /nfs/dbraw/zinc/55/44/37/613554437.db2.gz IZJFLCGHDWKNDK-UHFFFAOYSA-N 1 2 291.351 1.245 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000949409857 613563217 /nfs/dbraw/zinc/56/32/17/613563217.db2.gz RZHASIRLYCHVPB-CVEARBPZSA-N 1 2 290.407 1.502 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2ccc3n[nH]cc3c2)CC1 ZINC000949272146 613563361 /nfs/dbraw/zinc/56/33/61/613563361.db2.gz RTAKVSAWGUBPPP-UHFFFAOYSA-N 1 2 296.374 1.273 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)CC)C2)C1 ZINC000972274187 613570998 /nfs/dbraw/zinc/57/09/98/613570998.db2.gz WZWQMJZSDDPFNV-GOEBONIOSA-N 1 2 278.396 1.359 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)CC)C2)C1 ZINC000972274187 613571000 /nfs/dbraw/zinc/57/10/00/613571000.db2.gz WZWQMJZSDDPFNV-GOEBONIOSA-N 1 2 278.396 1.359 20 30 CDEDLO C=CC(C)(C)NC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000891268123 617393568 /nfs/dbraw/zinc/39/35/68/617393568.db2.gz LTNRRAZLGPPWSB-QWHCGFSZSA-N 1 2 268.401 1.957 20 30 CDEDLO C=CC(C)(C)NC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000891268123 617393569 /nfs/dbraw/zinc/39/35/69/617393569.db2.gz LTNRRAZLGPPWSB-QWHCGFSZSA-N 1 2 268.401 1.957 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2snnc2C)C(C)(C)C1 ZINC000972798908 613611905 /nfs/dbraw/zinc/61/19/05/613611905.db2.gz NHDQLERIGGKDIS-LLVKDONJSA-N 1 2 292.408 1.310 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2snnc2C)C(C)(C)C1 ZINC000972798908 613611908 /nfs/dbraw/zinc/61/19/08/613611908.db2.gz NHDQLERIGGKDIS-LLVKDONJSA-N 1 2 292.408 1.310 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cccc3cn[nH]c32)C1 ZINC000951111204 613657771 /nfs/dbraw/zinc/65/77/71/613657771.db2.gz HDQXSPVTAKCTFQ-UHFFFAOYSA-N 1 2 284.363 1.895 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2cscn2)CC1 ZINC000957880349 613708159 /nfs/dbraw/zinc/70/81/59/613708159.db2.gz XBXIVOVLLBZFLZ-UHFFFAOYSA-N 1 2 265.382 1.406 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2nc(C3CC3)no2)CC1 ZINC000951385209 613708203 /nfs/dbraw/zinc/70/82/03/613708203.db2.gz WKYPRYBMIFKXSV-UHFFFAOYSA-N 1 2 290.367 1.210 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCO[C@H](C)C2)CC1 ZINC000952438940 613713475 /nfs/dbraw/zinc/71/34/75/613713475.db2.gz AQOJXMOKZUFPLF-OLZOCXBDSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]cc2C2CC2)CC1 ZINC000956967703 613714520 /nfs/dbraw/zinc/71/45/20/613714520.db2.gz XVJMQZYRTRKOLG-UHFFFAOYSA-N 1 2 259.353 1.836 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)nc3n[nH]c(C)c32)CC1 ZINC000951746566 613714991 /nfs/dbraw/zinc/71/49/91/613714991.db2.gz OEQNBMGXUOCOAH-UHFFFAOYSA-N 1 2 299.378 1.519 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(-n3cccc3)nc2)CC1 ZINC000952307028 613715616 /nfs/dbraw/zinc/71/56/16/613715616.db2.gz XRCUEDSVOXTFMC-UHFFFAOYSA-N 1 2 296.374 1.816 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(N(C)C)cc2)CC1 ZINC000957450579 613716391 /nfs/dbraw/zinc/71/63/91/613716391.db2.gz KLRUNWLUAVKEBZ-UHFFFAOYSA-N 1 2 273.380 1.696 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000957432751 613716467 /nfs/dbraw/zinc/71/64/67/613716467.db2.gz WBJCSOSULFUYBW-UHFFFAOYSA-N 1 2 287.363 1.589 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccnn2CC(C)C)CC1 ZINC000948587644 613717399 /nfs/dbraw/zinc/71/73/99/613717399.db2.gz NMTVVDKLQZFHNC-UHFFFAOYSA-N 1 2 276.384 1.483 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnn(CCCC)c2C)CC1 ZINC000957128401 613718477 /nfs/dbraw/zinc/71/84/77/613718477.db2.gz NMIDYLGIKMBVPP-UHFFFAOYSA-N 1 2 290.411 1.935 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ncc(C)cc2C)CC1 ZINC000949405808 613719106 /nfs/dbraw/zinc/71/91/06/613719106.db2.gz BHBRSUHPEPNVLU-UHFFFAOYSA-N 1 2 259.353 1.642 20 30 CDEDLO C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC000965620523 613771400 /nfs/dbraw/zinc/77/14/00/613771400.db2.gz CRUKYNDVKBACAE-GWCFXTLKSA-N 1 2 276.384 1.653 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC000965620523 613771402 /nfs/dbraw/zinc/77/14/02/613771402.db2.gz CRUKYNDVKBACAE-GWCFXTLKSA-N 1 2 276.384 1.653 20 30 CDEDLO Cc1cc(C#N)nc(NCC[N@@H+]2CCO[C@H](C)C2)c1 ZINC000892244510 617575594 /nfs/dbraw/zinc/57/55/94/617575594.db2.gz KNSFTQSVUHQHOF-GFCCVEGCSA-N 1 2 260.341 1.394 20 30 CDEDLO Cc1cc(C#N)nc(NCC[N@H+]2CCO[C@H](C)C2)c1 ZINC000892244510 617575598 /nfs/dbraw/zinc/57/55/98/617575598.db2.gz KNSFTQSVUHQHOF-GFCCVEGCSA-N 1 2 260.341 1.394 20 30 CDEDLO CCC[N@H+](CC(=O)NC)Cc1csc(C#N)c1 ZINC000891778308 617582773 /nfs/dbraw/zinc/58/27/73/617582773.db2.gz MTDIYRGMPCPERS-UHFFFAOYSA-N 1 2 251.355 1.578 20 30 CDEDLO CCC[N@@H+](CC(=O)NC)Cc1csc(C#N)c1 ZINC000891778308 617582774 /nfs/dbraw/zinc/58/27/74/617582774.db2.gz MTDIYRGMPCPERS-UHFFFAOYSA-N 1 2 251.355 1.578 20 30 CDEDLO C[N@H+](Cc1nccs1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971512586 616107628 /nfs/dbraw/zinc/10/76/28/616107628.db2.gz FHNOUICDGZRWLZ-CYBMUJFWSA-N 1 2 289.404 1.589 20 30 CDEDLO C[N@@H+](Cc1nccs1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971512586 616107630 /nfs/dbraw/zinc/10/76/30/616107630.db2.gz FHNOUICDGZRWLZ-CYBMUJFWSA-N 1 2 289.404 1.589 20 30 CDEDLO C[N@H+](Cc1nccs1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971512587 616107875 /nfs/dbraw/zinc/10/78/75/616107875.db2.gz FHNOUICDGZRWLZ-ZDUSSCGKSA-N 1 2 289.404 1.589 20 30 CDEDLO C[N@@H+](Cc1nccs1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971512587 616107876 /nfs/dbraw/zinc/10/78/76/616107876.db2.gz FHNOUICDGZRWLZ-ZDUSSCGKSA-N 1 2 289.404 1.589 20 30 CDEDLO C[C@@H](C#N)C[NH2+]C1CN(C(=O)OCc2ccccc2)C1 ZINC000893543990 618082685 /nfs/dbraw/zinc/08/26/85/618082685.db2.gz YVNPJVNDGRALNU-LBPRGKRZSA-N 1 2 273.336 1.757 20 30 CDEDLO COC(=O)[C@@H]1[C@@H](C[N@H+](CCC#N)CC2CC2)C1(F)F ZINC000894003961 618243169 /nfs/dbraw/zinc/24/31/69/618243169.db2.gz UZPZFVNUJAZGGP-MNOVXSKESA-N 1 2 272.295 1.666 20 30 CDEDLO COC(=O)[C@@H]1[C@@H](C[N@@H+](CCC#N)CC2CC2)C1(F)F ZINC000894003961 618243171 /nfs/dbraw/zinc/24/31/71/618243171.db2.gz UZPZFVNUJAZGGP-MNOVXSKESA-N 1 2 272.295 1.666 20 30 CDEDLO CC(C)(C)OC(=O)N1CCOC[C@H]([NH2+]CCC#N)C1 ZINC000894082176 618341345 /nfs/dbraw/zinc/34/13/45/618341345.db2.gz AMTZGEQTSKJDRR-LLVKDONJSA-N 1 2 269.345 1.126 20 30 CDEDLO Cc1ccc2nc(C[NH2+][C@@H]3CCCN(O)C3=O)cn2c1 ZINC000895158672 619374873 /nfs/dbraw/zinc/37/48/73/619374873.db2.gz MEUNPPWPRHMVCO-GFCCVEGCSA-N 1 2 274.324 1.113 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)cc1 ZINC000896533449 620132920 /nfs/dbraw/zinc/13/29/20/620132920.db2.gz YXYYLUAWJCONBG-CJNGLKHVSA-N 1 2 285.391 1.032 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)cc1 ZINC000896533449 620132922 /nfs/dbraw/zinc/13/29/22/620132922.db2.gz YXYYLUAWJCONBG-CJNGLKHVSA-N 1 2 285.391 1.032 20 30 CDEDLO CC[NH+]1CCN(C(=O)/C=C/C(=O)c2ccc(C)cc2)CC1 ZINC000899907882 622527727 /nfs/dbraw/zinc/52/77/27/622527727.db2.gz ORNFBKOGSKTSQR-CMDGGOBGSA-N 1 2 286.375 1.898 20 30 CDEDLO CC(C)C[C@@H](C#N)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000900508340 623168441 /nfs/dbraw/zinc/16/84/41/623168441.db2.gz AYRHEPGVBKNQIX-SMDDNHRTSA-N 1 2 289.383 1.844 20 30 CDEDLO CC(C)C[C@@H](C#N)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000900508340 623168449 /nfs/dbraw/zinc/16/84/49/623168449.db2.gz AYRHEPGVBKNQIX-SMDDNHRTSA-N 1 2 289.383 1.844 20 30 CDEDLO C=CC[N@H+](CCc1ccco1)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902217662 624567802 /nfs/dbraw/zinc/56/78/02/624567802.db2.gz KBVYNHVAGRQNNX-JSGCOSHPSA-N 1 2 260.337 1.746 20 30 CDEDLO C=CC[N@@H+](CCc1ccco1)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902217662 624567807 /nfs/dbraw/zinc/56/78/07/624567807.db2.gz KBVYNHVAGRQNNX-JSGCOSHPSA-N 1 2 260.337 1.746 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NN1[C@@H](C)CCC[C@@H]1C ZINC000907986879 627955459 /nfs/dbraw/zinc/95/54/59/627955459.db2.gz RTDJISDNTPMSMM-IHRRRGAJSA-N 1 2 263.385 1.378 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NN1[C@@H](C)CCC[C@@H]1C ZINC000907986879 627955462 /nfs/dbraw/zinc/95/54/62/627955462.db2.gz RTDJISDNTPMSMM-IHRRRGAJSA-N 1 2 263.385 1.378 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000912395416 629981758 /nfs/dbraw/zinc/98/17/58/629981758.db2.gz VIJMULYGEMKGNN-GBJTYRQASA-N 1 2 296.411 1.193 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000912395416 629981761 /nfs/dbraw/zinc/98/17/61/629981761.db2.gz VIJMULYGEMKGNN-GBJTYRQASA-N 1 2 296.411 1.193 20 30 CDEDLO CC1(C)C[N@H+](CCNC(=O)N2CCC[C@@H](C#N)C2)CCO1 ZINC000915854452 631839140 /nfs/dbraw/zinc/83/91/40/631839140.db2.gz OAFSYRZWYGYVLI-ZDUSSCGKSA-N 1 2 294.399 1.042 20 30 CDEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@@H](C#N)C2)CCO1 ZINC000915854452 631839143 /nfs/dbraw/zinc/83/91/43/631839143.db2.gz OAFSYRZWYGYVLI-ZDUSSCGKSA-N 1 2 294.399 1.042 20 30 CDEDLO C=CCn1nnn(C[N@@H+](C)[C@@H](C)C(C)C)c1=S ZINC000919940904 632699419 /nfs/dbraw/zinc/69/94/19/632699419.db2.gz OIIRMZVCXUBQAG-JTQLQIEISA-N 1 2 255.391 1.929 20 30 CDEDLO C=CCn1nnn(C[N@H+](C)[C@@H](C)C(C)C)c1=S ZINC000919940904 632699422 /nfs/dbraw/zinc/69/94/22/632699422.db2.gz OIIRMZVCXUBQAG-JTQLQIEISA-N 1 2 255.391 1.929 20 30 CDEDLO C=CCOc1ccc(-n2[nH]c(=O)c(CC[NH3+])c2C)nc1C#N ZINC001170338038 1162345540 /nfs/dbraw/zinc/34/55/40/1162345540.db2.gz KWGIUXKSGIAUIE-UHFFFAOYSA-N 1 2 299.334 1.219 20 30 CDEDLO Cn1c[nH+]cc1CCOC(=O)c1c(F)cc(C#N)cc1F ZINC000793253217 1162406699 /nfs/dbraw/zinc/40/66/99/1162406699.db2.gz NGMPGHJJPRKHAI-UHFFFAOYSA-N 1 2 291.257 1.969 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2cc(=O)c3ccccc3[nH]2)C1 ZINC001030631597 1161038645 /nfs/dbraw/zinc/03/86/45/1161038645.db2.gz FSFRBKNTRHEVNH-UHFFFAOYSA-N 1 2 297.358 1.518 20 30 CDEDLO Cc1nc(N[C@@H](C)[C@@H](C)NC(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001113012039 1162069683 /nfs/dbraw/zinc/06/96/83/1162069683.db2.gz KLBFJJVKYDCIMS-VHSXEESVSA-N 1 2 298.350 1.604 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)C2(COC)CC2)CC1 ZINC001113100518 1162101017 /nfs/dbraw/zinc/10/10/17/1162101017.db2.gz IHQGLFRZAWRTPW-UHFFFAOYSA-N 1 2 252.358 1.133 20 30 CDEDLO C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1[nH]ncc1F ZINC001135408350 1164138555 /nfs/dbraw/zinc/13/85/55/1164138555.db2.gz WFDCMJWFXWIIHE-DTWKUNHWSA-N 1 2 288.754 1.788 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2CCc3cc[nH+]c(N)c3C2)c1 ZINC001635027616 1166555771 /nfs/dbraw/zinc/55/57/71/1166555771.db2.gz WXLRVSAIHOTJAM-UHFFFAOYSA-N 1 2 267.292 1.062 20 30 CDEDLO C=CCCC(=O)NCCC[NH2+]Cc1nnsc1Cl ZINC001155579881 1167240340 /nfs/dbraw/zinc/24/03/40/1167240340.db2.gz NYOHADJAHNWOBH-UHFFFAOYSA-N 1 2 288.804 1.754 20 30 CDEDLO N#Cc1ccc(F)c(CNC(=O)N2CCn3c[nH+]cc3C2)c1 ZINC001650029842 1169628054 /nfs/dbraw/zinc/62/80/54/1169628054.db2.gz VXOUTWTWYXOIKG-UHFFFAOYSA-N 1 2 299.309 1.619 20 30 CDEDLO COc1cccc([C@@H]2CN(C(=O)C3(C#N)CCC3)CC[NH2+]2)c1 ZINC001650204801 1169852592 /nfs/dbraw/zinc/85/25/92/1169852592.db2.gz AAHFLTRUJJFETQ-HNNXBMFYSA-N 1 2 299.374 1.862 20 30 CDEDLO N#CCc1ccc(COC(=O)[C@@H]2CCCC[NH2+]2)cc1 ZINC001574242385 1170928216 /nfs/dbraw/zinc/92/82/16/1170928216.db2.gz XLNXWPZRNQIRTG-AWEZNQCLSA-N 1 2 258.321 1.938 20 30 CDEDLO C#CCC1(NC(=O)C[C@@H]([NH3+])C(F)F)CCCCC1 ZINC001574525009 1170990635 /nfs/dbraw/zinc/99/06/35/1170990635.db2.gz BPCNBEHVFSCEKR-SNVBAGLBSA-N 1 2 258.312 1.811 20 30 CDEDLO C#CCOc1cccc(NC(=O)C[C@H]([NH3+])C(F)F)c1 ZINC001574735709 1171000638 /nfs/dbraw/zinc/00/06/38/1171000638.db2.gz MQQOZPUEQAFRMK-NSHDSACASA-N 1 2 268.263 1.620 20 30 CDEDLO CC(C)C[N@H+](CCC#N)Cc1cncc(-c2nn[nH]n2)c1 ZINC001589618426 1173163846 /nfs/dbraw/zinc/16/38/46/1173163846.db2.gz HVEDOOXAUAQUKU-UHFFFAOYSA-N 1 2 285.355 1.633 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)Cc1cncc(-c2nn[nH]n2)c1 ZINC001589618426 1173163852 /nfs/dbraw/zinc/16/38/52/1173163852.db2.gz HVEDOOXAUAQUKU-UHFFFAOYSA-N 1 2 285.355 1.633 20 30 CDEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589978566 1173220982 /nfs/dbraw/zinc/22/09/82/1173220982.db2.gz OOGGCPQWKVJSFK-SECBINFHSA-N 1 2 284.323 1.527 20 30 CDEDLO C[Si](C)(C)c1ccc(CN2CC[NH2+]C[C@H]2C#N)cc1 ZINC000235732032 1178240740 /nfs/dbraw/zinc/24/07/40/1178240740.db2.gz YUUGTBGCZGSCDH-CQSZACIVSA-N 1 2 273.456 1.529 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CCOC ZINC001752542550 1184876756 /nfs/dbraw/zinc/87/67/56/1184876756.db2.gz BFMGEBQOCQILPJ-GASCZTMLSA-N 1 2 292.423 1.748 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CCOC ZINC001752542550 1184876763 /nfs/dbraw/zinc/87/67/63/1184876763.db2.gz BFMGEBQOCQILPJ-GASCZTMLSA-N 1 2 292.423 1.748 20 30 CDEDLO C=C(C)CCC(=O)NC[C@H](C)[NH2+][C@H](C)c1nc(C)no1 ZINC001752876599 1184946872 /nfs/dbraw/zinc/94/68/72/1184946872.db2.gz CJZIBJLAERKBRK-WDEREUQCSA-N 1 2 280.372 1.890 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)SC ZINC001754302866 1185562373 /nfs/dbraw/zinc/56/23/73/1185562373.db2.gz PCOQEKSHEZREHQ-NXEZZACHSA-N 1 2 264.822 1.927 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)SC ZINC001754302866 1185562375 /nfs/dbraw/zinc/56/23/75/1185562375.db2.gz PCOQEKSHEZREHQ-NXEZZACHSA-N 1 2 264.822 1.927 20 30 CDEDLO C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)C#CC1CC1 ZINC001754967479 1185772756 /nfs/dbraw/zinc/77/27/56/1185772756.db2.gz IYVZXEIVLAWGKS-HNNXBMFYSA-N 1 2 276.380 1.183 20 30 CDEDLO C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)C#CC1CC1 ZINC001754967479 1185772761 /nfs/dbraw/zinc/77/27/61/1185772761.db2.gz IYVZXEIVLAWGKS-HNNXBMFYSA-N 1 2 276.380 1.183 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2nnc(C)o2)C1 ZINC001755252150 1185877842 /nfs/dbraw/zinc/87/78/42/1185877842.db2.gz FOHSLLWGFJMDSK-QWRGUYRKSA-N 1 2 292.383 1.717 20 30 CDEDLO CC(C)C#CC(=O)NC[C@H](CO)[NH2+]C/C(Cl)=C/Cl ZINC001755627053 1186016837 /nfs/dbraw/zinc/01/68/37/1186016837.db2.gz CGMHOMWIRBFDPK-GULOHRGCSA-N 1 2 293.194 1.032 20 30 CDEDLO C=CC[NH+]1CCN(c2nc(C#N)ccc2[N+](=O)[O-])CC1 ZINC001165031384 721866997 /nfs/dbraw/zinc/86/69/97/721866997.db2.gz GUKUNFILHBMJJT-UHFFFAOYSA-N 1 2 273.296 1.169 20 30 CDEDLO C=CC[NH+]1CCN(c2cc(Cl)nc(C(=O)OC)n2)CC1 ZINC001165034048 721872293 /nfs/dbraw/zinc/87/22/93/721872293.db2.gz DKMMUMSSGOHRJB-UHFFFAOYSA-N 1 2 296.758 1.225 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC(C)(C)O)C1 ZINC001441024517 964334736 /nfs/dbraw/zinc/33/47/36/964334736.db2.gz KASNRMRTAMBORE-NSHDSACASA-N 1 2 274.792 1.481 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC(C)(C)O)C1 ZINC001441024517 964334744 /nfs/dbraw/zinc/33/47/44/964334744.db2.gz KASNRMRTAMBORE-NSHDSACASA-N 1 2 274.792 1.481 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccoc3)C[C@@H]21 ZINC001074170982 811885465 /nfs/dbraw/zinc/88/54/65/811885465.db2.gz RPIUVEBJVRYBKQ-GJZGRUSLSA-N 1 2 288.347 1.218 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccoc3)C[C@@H]21 ZINC001074170982 811885468 /nfs/dbraw/zinc/88/54/68/811885468.db2.gz RPIUVEBJVRYBKQ-GJZGRUSLSA-N 1 2 288.347 1.218 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2sccc2COC)C1 ZINC001009197601 811873097 /nfs/dbraw/zinc/87/30/97/811873097.db2.gz WAPZVMLFUCQKMZ-ZDUSSCGKSA-N 1 2 292.404 1.722 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2COC)C1 ZINC001009197601 811873099 /nfs/dbraw/zinc/87/30/99/811873099.db2.gz WAPZVMLFUCQKMZ-ZDUSSCGKSA-N 1 2 292.404 1.722 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2sccc2F)C1 ZINC001035358844 811874305 /nfs/dbraw/zinc/87/43/05/811874305.db2.gz UIURUZXAOMSZJF-LLVKDONJSA-N 1 2 298.383 1.894 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2sccc2F)C1 ZINC001035358844 811874306 /nfs/dbraw/zinc/87/43/06/811874306.db2.gz UIURUZXAOMSZJF-LLVKDONJSA-N 1 2 298.383 1.894 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccs1 ZINC001032696051 812375860 /nfs/dbraw/zinc/37/58/60/812375860.db2.gz OFYBMTPZSOVXSG-QWRGUYRKSA-N 1 2 263.366 1.618 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccs1 ZINC001032696051 812375879 /nfs/dbraw/zinc/37/58/79/812375879.db2.gz OFYBMTPZSOVXSG-QWRGUYRKSA-N 1 2 263.366 1.618 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1occ2c1CCC2 ZINC001038564898 814396374 /nfs/dbraw/zinc/39/63/74/814396374.db2.gz WBDMYMXEHRXIHO-LBPRGKRZSA-N 1 2 260.337 1.758 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1occ2c1CCC2 ZINC001038564898 814396380 /nfs/dbraw/zinc/39/63/80/814396380.db2.gz WBDMYMXEHRXIHO-LBPRGKRZSA-N 1 2 260.337 1.758 20 30 CDEDLO CC[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1NCC#N ZINC001037894758 805013549 /nfs/dbraw/zinc/01/35/49/805013549.db2.gz CXHUFVOTZMCQSN-UONOGXRCSA-N 1 2 289.383 1.013 20 30 CDEDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1CCO[C@H](C)C#N ZINC000381073353 805026362 /nfs/dbraw/zinc/02/63/62/805026362.db2.gz DJECFIXWHXYDNS-NEPJUHHUSA-N 1 2 254.330 1.333 20 30 CDEDLO CCOC(=O)[C@@H]1CCCC[N@H+]1CCO[C@H](C)C#N ZINC000381073353 805026374 /nfs/dbraw/zinc/02/63/74/805026374.db2.gz DJECFIXWHXYDNS-NEPJUHHUSA-N 1 2 254.330 1.333 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc(C2CC2)cn1 ZINC001017689761 805064810 /nfs/dbraw/zinc/06/48/10/805064810.db2.gz ICUBAWQWKSKIHR-IYBDPMFKSA-N 1 2 298.390 1.069 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc(C2CC2)cn1 ZINC001017689761 805064820 /nfs/dbraw/zinc/06/48/20/805064820.db2.gz ICUBAWQWKSKIHR-IYBDPMFKSA-N 1 2 298.390 1.069 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccn[nH]1 ZINC001054033168 805073336 /nfs/dbraw/zinc/07/33/36/805073336.db2.gz NSVSBCRPTUPUOR-OAHLLOKOSA-N 1 2 294.358 1.200 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccn[nH]1 ZINC001054033168 805073352 /nfs/dbraw/zinc/07/33/52/805073352.db2.gz NSVSBCRPTUPUOR-OAHLLOKOSA-N 1 2 294.358 1.200 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001035458515 805113360 /nfs/dbraw/zinc/11/33/60/805113360.db2.gz DKPATHHKYCWLSF-JONQDZQNSA-N 1 2 292.423 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001035458515 805113389 /nfs/dbraw/zinc/11/33/89/805113389.db2.gz DKPATHHKYCWLSF-JONQDZQNSA-N 1 2 292.423 1.816 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001035539056 805136641 /nfs/dbraw/zinc/13/66/41/805136641.db2.gz WWPPVEAYEPXWKX-SOUVJXGZSA-N 1 2 278.396 1.426 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001035539056 805136670 /nfs/dbraw/zinc/13/66/70/805136670.db2.gz WWPPVEAYEPXWKX-SOUVJXGZSA-N 1 2 278.396 1.426 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)C1 ZINC001031483393 805250290 /nfs/dbraw/zinc/25/02/90/805250290.db2.gz BNAVNRVZYTUGQH-LRDDRELGSA-N 1 2 284.359 1.375 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccccc1COC ZINC000884079868 805315395 /nfs/dbraw/zinc/31/53/95/805315395.db2.gz CYEKPPYCDGTIMW-LBPRGKRZSA-N 1 2 292.335 1.218 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2Cc3ccccc3O2)C1 ZINC001030358804 805354477 /nfs/dbraw/zinc/35/44/77/805354477.db2.gz HSSAOPRLULVWKO-CQSZACIVSA-N 1 2 272.348 1.367 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH2+][C@H](C)c2nc(C)no2)C1 ZINC001019238326 811079485 /nfs/dbraw/zinc/07/94/85/811079485.db2.gz WVESVTQMNHBCNO-PWSUYJOCSA-N 1 2 292.383 1.842 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc[nH]n3)[C@@H]2C1 ZINC001075569511 811085159 /nfs/dbraw/zinc/08/51/59/811085159.db2.gz VFCHHOHVUJEJIA-CMPLNLGQSA-N 1 2 280.759 1.309 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc[nH]n3)[C@@H]2C1 ZINC001075569511 811085179 /nfs/dbraw/zinc/08/51/79/811085179.db2.gz VFCHHOHVUJEJIA-CMPLNLGQSA-N 1 2 280.759 1.309 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn[nH]3)[C@@H]2C1 ZINC001075569511 811085190 /nfs/dbraw/zinc/08/51/90/811085190.db2.gz VFCHHOHVUJEJIA-CMPLNLGQSA-N 1 2 280.759 1.309 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccn[nH]3)[C@@H]2C1 ZINC001075569511 811085191 /nfs/dbraw/zinc/08/51/91/811085191.db2.gz VFCHHOHVUJEJIA-CMPLNLGQSA-N 1 2 280.759 1.309 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(C(C)(C)C)CC1 ZINC000884114928 811097250 /nfs/dbraw/zinc/09/72/50/811097250.db2.gz DIURRKRTKVUKEW-ZDUSSCGKSA-N 1 2 296.411 1.718 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1[nH]nc2c1cccc2OC ZINC001038293946 811321122 /nfs/dbraw/zinc/32/11/22/811321122.db2.gz YCLWTGHLWXSQII-LLVKDONJSA-N 1 2 298.346 1.009 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1[nH]nc2c1cccc2OC ZINC001038293946 811321133 /nfs/dbraw/zinc/32/11/33/811321133.db2.gz YCLWTGHLWXSQII-LLVKDONJSA-N 1 2 298.346 1.009 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2CCOCC2)C1 ZINC001031513503 811354045 /nfs/dbraw/zinc/35/40/45/811354045.db2.gz SYSREGXFEKFUKI-UHFFFAOYSA-N 1 2 272.776 1.214 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)n(C)n1 ZINC001027776737 811427624 /nfs/dbraw/zinc/42/76/24/811427624.db2.gz XTSHUMAZQYIWOR-LBPRGKRZSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)n(C)n1 ZINC001027776737 811427645 /nfs/dbraw/zinc/42/76/45/811427645.db2.gz XTSHUMAZQYIWOR-LBPRGKRZSA-N 1 2 296.802 1.675 20 30 CDEDLO N#Cc1ccc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)[nH]1 ZINC000802233173 811537277 /nfs/dbraw/zinc/53/72/77/811537277.db2.gz INSQRNZULBIEMH-JTQLQIEISA-N 1 2 251.261 1.087 20 30 CDEDLO N#Cc1ccc(C(=O)O[C@H]2CC[N@H+](CCF)C2)[nH]1 ZINC000802233173 811537297 /nfs/dbraw/zinc/53/72/97/811537297.db2.gz INSQRNZULBIEMH-JTQLQIEISA-N 1 2 251.261 1.087 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)C3CC3)C2)c1 ZINC001009834257 811594129 /nfs/dbraw/zinc/59/41/29/811594129.db2.gz SXAXPYLVCAWZDI-CQSZACIVSA-N 1 2 287.338 1.798 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)C3CC3)C2)c1 ZINC001009834257 811594155 /nfs/dbraw/zinc/59/41/55/811594155.db2.gz SXAXPYLVCAWZDI-CQSZACIVSA-N 1 2 287.338 1.798 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccn(CC)c2C)C1 ZINC001035481091 811612851 /nfs/dbraw/zinc/61/28/51/811612851.db2.gz DQPAQTRGHVLRET-AWEZNQCLSA-N 1 2 291.395 1.433 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccn(CC)c2C)C1 ZINC001035481091 811612906 /nfs/dbraw/zinc/61/29/06/811612906.db2.gz DQPAQTRGHVLRET-AWEZNQCLSA-N 1 2 291.395 1.433 20 30 CDEDLO C#CC[N@H+]1CC[C@](C)(NC(=O)c2scnc2COC)C1 ZINC001046686600 811743625 /nfs/dbraw/zinc/74/36/25/811743625.db2.gz OOTBUKVTOMXMDL-AWEZNQCLSA-N 1 2 293.392 1.117 20 30 CDEDLO C#CC[N@@H+]1CC[C@](C)(NC(=O)c2scnc2COC)C1 ZINC001046686600 811743632 /nfs/dbraw/zinc/74/36/32/811743632.db2.gz OOTBUKVTOMXMDL-AWEZNQCLSA-N 1 2 293.392 1.117 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCCCCC1 ZINC000884048494 811807243 /nfs/dbraw/zinc/80/72/43/811807243.db2.gz MTYJLTJMUIZIEH-LBPRGKRZSA-N 1 2 268.357 1.226 20 30 CDEDLO CCCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000829969158 811831367 /nfs/dbraw/zinc/83/13/67/811831367.db2.gz NMSGQLUUBWVTBO-DZGCQCFKSA-N 1 2 281.400 1.422 20 30 CDEDLO CCCCC[C@H](C)NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000829969158 811831368 /nfs/dbraw/zinc/83/13/68/811831368.db2.gz NMSGQLUUBWVTBO-DZGCQCFKSA-N 1 2 281.400 1.422 20 30 CDEDLO NC(CCO)=[NH+]OCc1ccn(-c2ccccc2)n1 ZINC000136067670 811847011 /nfs/dbraw/zinc/84/70/11/811847011.db2.gz ZQRUQGFZEUSIRI-UHFFFAOYSA-N 1 2 260.297 1.044 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ocnc1C)CCO2 ZINC001053205715 811875099 /nfs/dbraw/zinc/87/50/99/811875099.db2.gz MEIBNWTZBFBNDR-UHFFFAOYSA-N 1 2 291.351 1.086 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H](CC)C1 ZINC001018154130 811878725 /nfs/dbraw/zinc/87/87/25/811878725.db2.gz CMWNXDIBGHIUOY-LVQVYYBASA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H](CC)C1 ZINC001018154130 811878729 /nfs/dbraw/zinc/87/87/29/811878729.db2.gz CMWNXDIBGHIUOY-LVQVYYBASA-N 1 2 290.407 1.500 20 30 CDEDLO Cc1nc(N[C@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001069089196 811890896 /nfs/dbraw/zinc/89/08/96/811890896.db2.gz BFOUWAABNVJQGP-RISCZKNCSA-N 1 2 284.363 1.600 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3ccncc32)C1 ZINC001031187639 811893142 /nfs/dbraw/zinc/89/31/42/811893142.db2.gz KUTQJRUXLPBROJ-UHFFFAOYSA-N 1 2 279.343 1.672 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccn[nH]2)[C@H]1C ZINC000993068828 812001689 /nfs/dbraw/zinc/00/16/89/812001689.db2.gz JKMCVICTUUPFKE-GHMZBOCLSA-N 1 2 282.775 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccn[nH]2)[C@H]1C ZINC000993068828 812001705 /nfs/dbraw/zinc/00/17/05/812001705.db2.gz JKMCVICTUUPFKE-GHMZBOCLSA-N 1 2 282.775 1.745 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)n[nH]c1C(C)C ZINC001038903334 812013623 /nfs/dbraw/zinc/01/36/23/812013623.db2.gz NAEYQASMKVPEKI-GFCCVEGCSA-N 1 2 276.384 1.832 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)n[nH]c1C(C)C ZINC001038903334 812013633 /nfs/dbraw/zinc/01/36/33/812013633.db2.gz NAEYQASMKVPEKI-GFCCVEGCSA-N 1 2 276.384 1.832 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001038263983 812023429 /nfs/dbraw/zinc/02/34/29/812023429.db2.gz UDEXBELDLXJXOO-STQMWFEESA-N 1 2 286.379 1.043 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001038263983 812023431 /nfs/dbraw/zinc/02/34/31/812023431.db2.gz UDEXBELDLXJXOO-STQMWFEESA-N 1 2 286.379 1.043 20 30 CDEDLO C[C@@H](O[NH+]=C(N)Cc1cccnc1)c1nc(C2CC2)no1 ZINC000092915165 812056367 /nfs/dbraw/zinc/05/63/67/812056367.db2.gz JIPLKJKHIZVLIF-SECBINFHSA-N 1 2 287.323 1.935 20 30 CDEDLO C=C(Br)CNC(=O)CCn1cc[nH+]c1 ZINC000308655230 812067052 /nfs/dbraw/zinc/06/70/52/812067052.db2.gz NDUVONCAVKGWGV-UHFFFAOYSA-N 1 2 258.119 1.298 20 30 CDEDLO CN(C)c1[nH+]cc(CN=Nc2ncccc2F)n1C ZINC000811650036 812097348 /nfs/dbraw/zinc/09/73/48/812097348.db2.gz IMYVAXNVQQOWJE-UHFFFAOYSA-N 1 2 262.292 1.466 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc(NCC)s2)C1 ZINC000923552407 812213481 /nfs/dbraw/zinc/21/34/81/812213481.db2.gz XUZXTTOHDBAFGP-NSHDSACASA-N 1 2 292.408 1.402 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc(NCC)s2)C1 ZINC000923552407 812213503 /nfs/dbraw/zinc/21/35/03/812213503.db2.gz XUZXTTOHDBAFGP-NSHDSACASA-N 1 2 292.408 1.402 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cncc(CC)c2)C1 ZINC001035452636 812288094 /nfs/dbraw/zinc/28/80/94/812288094.db2.gz QMTUPSQQNSKHLW-HNNXBMFYSA-N 1 2 289.379 1.261 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cncc(CC)c2)C1 ZINC001035452636 812288135 /nfs/dbraw/zinc/28/81/35/812288135.db2.gz QMTUPSQQNSKHLW-HNNXBMFYSA-N 1 2 289.379 1.261 20 30 CDEDLO C#Cc1cccc(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000844143662 812297369 /nfs/dbraw/zinc/29/73/69/812297369.db2.gz FIPMTIRUCZOVBE-OAHLLOKOSA-N 1 2 279.343 1.743 20 30 CDEDLO CN(C)c1[nH+]cc(CN=Nc2nccnc2Cl)n1C ZINC000811644180 812302141 /nfs/dbraw/zinc/30/21/41/812302141.db2.gz UAOYBZPFJFVODI-UHFFFAOYSA-N 1 2 279.735 1.376 20 30 CDEDLO CC#CC[NH+]1CCC(NC(=O)c2ccc3[nH]nnc3c2)CC1 ZINC001004126711 812331352 /nfs/dbraw/zinc/33/13/52/812331352.db2.gz KDJSBNOJOLGZHD-UHFFFAOYSA-N 1 2 297.362 1.175 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(CC(C)C)c1C ZINC001038976167 812338659 /nfs/dbraw/zinc/33/86/59/812338659.db2.gz NNODTXQMHMUEEY-CQSZACIVSA-N 1 2 288.395 1.285 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(CC(C)C)c1C ZINC001038976167 812338671 /nfs/dbraw/zinc/33/86/71/812338671.db2.gz NNODTXQMHMUEEY-CQSZACIVSA-N 1 2 288.395 1.285 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000791033169 812353979 /nfs/dbraw/zinc/35/39/79/812353979.db2.gz NDZHBMCUFTUZEL-KBPBESRZSA-N 1 2 286.379 1.761 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1sccc1C ZINC000884069303 812369189 /nfs/dbraw/zinc/36/91/89/812369189.db2.gz YTFIYPKJUVXVEN-JTQLQIEISA-N 1 2 282.365 1.119 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001024604918 812470308 /nfs/dbraw/zinc/47/03/08/812470308.db2.gz RNVAXIXRXMRAGS-IGQOVBAYSA-N 1 2 298.814 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001024604918 812470348 /nfs/dbraw/zinc/47/03/48/812470348.db2.gz RNVAXIXRXMRAGS-IGQOVBAYSA-N 1 2 298.814 1.602 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccsc2COC)C1 ZINC001043087022 812538020 /nfs/dbraw/zinc/53/80/20/812538020.db2.gz AGKULRCQZFGXSP-UHFFFAOYSA-N 1 2 292.404 1.674 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H](F)C1 ZINC001017547476 812596722 /nfs/dbraw/zinc/59/67/22/812596722.db2.gz DUNYZVQUWQNBCQ-LJISPDSOSA-N 1 2 278.371 1.823 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H](F)C1 ZINC001017547476 812596770 /nfs/dbraw/zinc/59/67/70/812596770.db2.gz DUNYZVQUWQNBCQ-LJISPDSOSA-N 1 2 278.371 1.823 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC001027992879 812597628 /nfs/dbraw/zinc/59/76/28/812597628.db2.gz GRVPMOBWDDQTFB-GFCCVEGCSA-N 1 2 286.379 1.116 20 30 CDEDLO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC001027992879 812597665 /nfs/dbraw/zinc/59/76/65/812597665.db2.gz GRVPMOBWDDQTFB-GFCCVEGCSA-N 1 2 286.379 1.116 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCCOC[C@@H]2CCCO2)ccc1F ZINC000782319587 812656750 /nfs/dbraw/zinc/65/67/50/812656750.db2.gz MVKHKXPGBQBVBS-ZDUSSCGKSA-N 1 2 296.342 1.967 20 30 CDEDLO N#CCN1CC(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001032098326 812678974 /nfs/dbraw/zinc/67/89/74/812678974.db2.gz NSSIILMBGRDEJM-UHFFFAOYSA-N 1 2 295.346 1.057 20 30 CDEDLO N#CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001034252299 812685644 /nfs/dbraw/zinc/68/56/44/812685644.db2.gz MNMQDXLZDISSHI-YNEHKIRRSA-N 1 2 287.367 1.007 20 30 CDEDLO N#CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001034252299 812685676 /nfs/dbraw/zinc/68/56/76/812685676.db2.gz MNMQDXLZDISSHI-YNEHKIRRSA-N 1 2 287.367 1.007 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnc(C)[nH]1 ZINC001050844964 812716314 /nfs/dbraw/zinc/71/63/14/812716314.db2.gz ODSGZLJJFIVYPO-ZDUSSCGKSA-N 1 2 292.383 1.115 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnc(C)[nH]1 ZINC001050844964 812716345 /nfs/dbraw/zinc/71/63/45/812716345.db2.gz ODSGZLJJFIVYPO-ZDUSSCGKSA-N 1 2 292.383 1.115 20 30 CDEDLO C#CCOCC[NH+]1CCN(C(=O)C(CC)CC)CC1 ZINC000851712981 812718118 /nfs/dbraw/zinc/71/81/18/812718118.db2.gz WKLNYSAWKUBBJP-UHFFFAOYSA-N 1 2 266.385 1.217 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)on1 ZINC001010634261 812730800 /nfs/dbraw/zinc/73/08/00/812730800.db2.gz BENQOZDCAMEAMG-LBPRGKRZSA-N 1 2 299.334 1.187 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)on1 ZINC001010634261 812730814 /nfs/dbraw/zinc/73/08/14/812730814.db2.gz BENQOZDCAMEAMG-LBPRGKRZSA-N 1 2 299.334 1.187 20 30 CDEDLO C#CCCCCNC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875371022 812830110 /nfs/dbraw/zinc/83/01/10/812830110.db2.gz AFZCOYMBSGTSTR-AWEZNQCLSA-N 1 2 281.400 1.200 20 30 CDEDLO C#CCCCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875371022 812830111 /nfs/dbraw/zinc/83/01/11/812830111.db2.gz AFZCOYMBSGTSTR-AWEZNQCLSA-N 1 2 281.400 1.200 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1F ZINC001032256380 812851227 /nfs/dbraw/zinc/85/12/27/812851227.db2.gz YVCHEBRMIYSBGO-STQMWFEESA-N 1 2 272.323 1.748 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1F ZINC001032256380 812851228 /nfs/dbraw/zinc/85/12/28/812851228.db2.gz YVCHEBRMIYSBGO-STQMWFEESA-N 1 2 272.323 1.748 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCSC(C)(C)C)nn1 ZINC000881320535 812883653 /nfs/dbraw/zinc/88/36/53/812883653.db2.gz AIPSCXVUIPYHGG-UHFFFAOYSA-N 1 2 266.414 1.923 20 30 CDEDLO CC#CC[N@@H+]1CCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001072760967 812883694 /nfs/dbraw/zinc/88/36/94/812883694.db2.gz XFJVBTOYJLMHOK-JTQLQIEISA-N 1 2 292.276 1.444 20 30 CDEDLO CC#CC[N@H+]1CCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001072760967 812883708 /nfs/dbraw/zinc/88/37/08/812883708.db2.gz XFJVBTOYJLMHOK-JTQLQIEISA-N 1 2 292.276 1.444 20 30 CDEDLO CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001072760967 812883709 /nfs/dbraw/zinc/88/37/09/812883709.db2.gz XFJVBTOYJLMHOK-JTQLQIEISA-N 1 2 292.276 1.444 20 30 CDEDLO CC#CC[N@H+]1CCC2(CN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001072760967 812883710 /nfs/dbraw/zinc/88/37/10/812883710.db2.gz XFJVBTOYJLMHOK-JTQLQIEISA-N 1 2 292.276 1.444 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2ccccc2C1 ZINC001038754960 812919635 /nfs/dbraw/zinc/91/96/35/812919635.db2.gz MMDWUMNHYIWVKH-SJORKVTESA-N 1 2 282.387 1.615 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2ccccc2C1 ZINC001038754960 812919656 /nfs/dbraw/zinc/91/96/56/812919656.db2.gz MMDWUMNHYIWVKH-SJORKVTESA-N 1 2 282.387 1.615 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)c(F)cc1F ZINC001032593798 813046874 /nfs/dbraw/zinc/04/68/74/813046874.db2.gz VLHBTSRGLFZGLF-UWVGGRQHSA-N 1 2 294.276 1.636 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)c(F)cc1F ZINC001032593798 813046886 /nfs/dbraw/zinc/04/68/86/813046886.db2.gz VLHBTSRGLFZGLF-UWVGGRQHSA-N 1 2 294.276 1.636 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001014381145 813092303 /nfs/dbraw/zinc/09/23/03/813092303.db2.gz ODGDUYJWCCFVHF-CQSZACIVSA-N 1 2 295.346 1.286 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001014381145 813092310 /nfs/dbraw/zinc/09/23/10/813092310.db2.gz ODGDUYJWCCFVHF-CQSZACIVSA-N 1 2 295.346 1.286 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccsc1)CCO2 ZINC001053148571 813131355 /nfs/dbraw/zinc/13/13/55/813131355.db2.gz ZYQNADHVHGEDOL-UHFFFAOYSA-N 1 2 292.404 1.851 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3ccno3)CC2)cc1 ZINC000879584740 813197977 /nfs/dbraw/zinc/19/79/77/813197977.db2.gz HXDJQKSLDOGDNR-UHFFFAOYSA-N 1 2 268.320 1.868 20 30 CDEDLO C#CC1(F)CN(C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000883138282 813240078 /nfs/dbraw/zinc/24/00/78/813240078.db2.gz YRHNONHPBXNZJA-UHFFFAOYSA-N 1 2 290.342 1.129 20 30 CDEDLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1n[nH]c(C2CC2)c1C#N ZINC000897744255 813268610 /nfs/dbraw/zinc/26/86/10/813268610.db2.gz LDSAMMDPJCFQQL-NSHDSACASA-N 1 2 287.367 1.970 20 30 CDEDLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1n[nH]c(C2CC2)c1C#N ZINC000897744255 813268653 /nfs/dbraw/zinc/26/86/53/813268653.db2.gz LDSAMMDPJCFQQL-NSHDSACASA-N 1 2 287.367 1.970 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnn1CC1CCC1 ZINC001038261332 813358546 /nfs/dbraw/zinc/35/85/46/813358546.db2.gz JQUWNCVVYQPADG-AWEZNQCLSA-N 1 2 286.379 1.121 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnn1CC1CCC1 ZINC001038261332 813358554 /nfs/dbraw/zinc/35/85/54/813358554.db2.gz JQUWNCVVYQPADG-AWEZNQCLSA-N 1 2 286.379 1.121 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)on1 ZINC001018187290 813378046 /nfs/dbraw/zinc/37/80/46/813378046.db2.gz OFTKJDSCVVTGDQ-BETUJISGSA-N 1 2 287.363 1.549 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)on1 ZINC001018187290 813378059 /nfs/dbraw/zinc/37/80/59/813378059.db2.gz OFTKJDSCVVTGDQ-BETUJISGSA-N 1 2 287.363 1.549 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c2ccccc21 ZINC001032763286 813535518 /nfs/dbraw/zinc/53/55/18/813535518.db2.gz RQACSQAZABVFAQ-STQMWFEESA-N 1 2 294.358 1.485 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c2ccccc21 ZINC001032763286 813535541 /nfs/dbraw/zinc/53/55/41/813535541.db2.gz RQACSQAZABVFAQ-STQMWFEESA-N 1 2 294.358 1.485 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)C1CC1)CO2 ZINC001053768216 813744128 /nfs/dbraw/zinc/74/41/28/813744128.db2.gz WHIQTEWOXRIVJB-JSGCOSHPSA-N 1 2 278.396 1.568 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1(C)CC(=C)C1)CCO2 ZINC001053418505 813796034 /nfs/dbraw/zinc/79/60/34/813796034.db2.gz SHNPTPNLNWQKOX-UHFFFAOYSA-N 1 2 290.407 1.832 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCOc3ccccc32)C1 ZINC001031110140 813801979 /nfs/dbraw/zinc/80/19/79/813801979.db2.gz JQMBLAGRCOLVLP-OAHLLOKOSA-N 1 2 284.359 1.376 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc3ccc(C)cn32)C1 ZINC001043333800 813808144 /nfs/dbraw/zinc/80/81/44/813808144.db2.gz LDKAWRBPQGQOBV-UHFFFAOYSA-N 1 2 296.374 1.422 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccsc1 ZINC001032268997 813822960 /nfs/dbraw/zinc/82/29/60/813822960.db2.gz SYYVUDRYKZHQBZ-STQMWFEESA-N 1 2 260.362 1.670 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccsc1 ZINC001032268997 813822961 /nfs/dbraw/zinc/82/29/61/813822961.db2.gz SYYVUDRYKZHQBZ-STQMWFEESA-N 1 2 260.362 1.670 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)n(CC)c1C ZINC001038472139 813826218 /nfs/dbraw/zinc/82/62/18/813826218.db2.gz UMTPSACXBHTVQN-AWEZNQCLSA-N 1 2 273.380 1.562 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)n(CC)c1C ZINC001038472139 813826219 /nfs/dbraw/zinc/82/62/19/813826219.db2.gz UMTPSACXBHTVQN-AWEZNQCLSA-N 1 2 273.380 1.562 20 30 CDEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(C)=O)C1 ZINC001034055884 813828067 /nfs/dbraw/zinc/82/80/67/813828067.db2.gz CRBWIWZDXGPBSX-NSHDSACASA-N 1 2 275.190 1.886 20 30 CDEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(C)=O)C1 ZINC001034055884 813828068 /nfs/dbraw/zinc/82/80/68/813828068.db2.gz CRBWIWZDXGPBSX-NSHDSACASA-N 1 2 275.190 1.886 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1CCC(C)CC1 ZINC000884288106 813880568 /nfs/dbraw/zinc/88/05/68/813880568.db2.gz VSTNQOHCJSNTOC-BPCQOVAHSA-N 1 2 282.384 1.376 20 30 CDEDLO C#CCOCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000851880552 813918499 /nfs/dbraw/zinc/91/84/99/813918499.db2.gz BKIUASDBQIPTNV-INIZCTEOSA-N 1 2 270.332 1.581 20 30 CDEDLO C#CCOCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000851880552 813918523 /nfs/dbraw/zinc/91/85/23/813918523.db2.gz BKIUASDBQIPTNV-INIZCTEOSA-N 1 2 270.332 1.581 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncoc1C ZINC001017388881 814054993 /nfs/dbraw/zinc/05/49/93/814054993.db2.gz KLUZWGVZCPDLNF-BETUJISGSA-N 1 2 273.336 1.295 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncoc1C ZINC001017388881 814055000 /nfs/dbraw/zinc/05/50/00/814055000.db2.gz KLUZWGVZCPDLNF-BETUJISGSA-N 1 2 273.336 1.295 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)CC1(C)C ZINC000884143761 814059339 /nfs/dbraw/zinc/05/93/39/814059339.db2.gz QKEGYYKEWVOKMN-QWRGUYRKSA-N 1 2 268.357 1.080 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H](C)CO3)cc2C1 ZINC001054274517 814113143 /nfs/dbraw/zinc/11/31/43/814113143.db2.gz IJAAWPFRFWACJZ-GUYCJALGSA-N 1 2 298.386 1.677 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H](C)CO3)cc2C1 ZINC001054274517 814113157 /nfs/dbraw/zinc/11/31/57/814113157.db2.gz IJAAWPFRFWACJZ-GUYCJALGSA-N 1 2 298.386 1.677 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001051032469 814120291 /nfs/dbraw/zinc/12/02/91/814120291.db2.gz XBDIULTXJQEJAY-ZDUSSCGKSA-N 1 2 295.358 1.551 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001051032469 814120327 /nfs/dbraw/zinc/12/03/27/814120327.db2.gz XBDIULTXJQEJAY-ZDUSSCGKSA-N 1 2 295.358 1.551 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cn1 ZINC000790153248 814122794 /nfs/dbraw/zinc/12/27/94/814122794.db2.gz NMQLSGGRJSONBS-MRXNPFEDSA-N 1 2 293.326 1.751 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](CC=C)C1 ZINC000884401695 814178260 /nfs/dbraw/zinc/17/82/60/814178260.db2.gz YAXOIKCCJVUAKR-STQMWFEESA-N 1 2 280.368 1.248 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C)c(C)nc1C ZINC001032511285 814179799 /nfs/dbraw/zinc/17/97/99/814179799.db2.gz VVGIMXQVBYBMIV-GJZGRUSLSA-N 1 2 298.390 1.324 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C)c(C)nc1C ZINC001032511285 814179806 /nfs/dbraw/zinc/17/98/06/814179806.db2.gz VVGIMXQVBYBMIV-GJZGRUSLSA-N 1 2 298.390 1.324 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H]2CC[C@H](C)O2)C1 ZINC001043747730 814249753 /nfs/dbraw/zinc/24/97/53/814249753.db2.gz QWKHCFAJAVFUEN-JSGCOSHPSA-N 1 2 266.385 1.663 20 30 CDEDLO NC(=NOCC1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181846126 814265904 /nfs/dbraw/zinc/26/59/04/814265904.db2.gz ZPODDLOEKWQISF-OAHLLOKOSA-N 1 2 289.379 1.586 20 30 CDEDLO NC(=NOCC1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181846126 814265922 /nfs/dbraw/zinc/26/59/22/814265922.db2.gz ZPODDLOEKWQISF-OAHLLOKOSA-N 1 2 289.379 1.586 20 30 CDEDLO CC(=NN(C)[C@H](C)CO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000842544806 814271377 /nfs/dbraw/zinc/27/13/77/814271377.db2.gz KLQMODNRQRGHCG-GFCCVEGCSA-N 1 2 272.352 1.909 20 30 CDEDLO CC1CCN(C(=O)CO[NH+]=C(N)Cc2ccccc2)CC1 ZINC000072001950 814288213 /nfs/dbraw/zinc/28/82/13/814288213.db2.gz JKBAZHKPTRJUKT-UHFFFAOYSA-N 1 2 289.379 1.776 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1C1CCC1 ZINC001032408464 814333332 /nfs/dbraw/zinc/33/33/32/814333332.db2.gz TWEJBIOYOAFYAS-KBPBESRZSA-N 1 2 284.363 1.140 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1C1CCC1 ZINC001032408464 814333343 /nfs/dbraw/zinc/33/33/43/814333343.db2.gz TWEJBIOYOAFYAS-KBPBESRZSA-N 1 2 284.363 1.140 20 30 CDEDLO CCn1nncc1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000877745289 814342988 /nfs/dbraw/zinc/34/29/88/814342988.db2.gz OEUYNDITYDGXCB-UHFFFAOYSA-N 1 2 296.378 1.492 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc[nH]1 ZINC001017350297 814405041 /nfs/dbraw/zinc/40/50/41/814405041.db2.gz DZOHAMOBDNJRRN-BETUJISGSA-N 1 2 257.337 1.327 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc[nH]1 ZINC001017350297 814405045 /nfs/dbraw/zinc/40/50/45/814405045.db2.gz DZOHAMOBDNJRRN-BETUJISGSA-N 1 2 257.337 1.327 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000935663640 814408259 /nfs/dbraw/zinc/40/82/59/814408259.db2.gz VDNWZCXEZJQNKX-ZDUSSCGKSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC(C)(CC)CC ZINC000884138769 814412927 /nfs/dbraw/zinc/41/29/27/814412927.db2.gz YFUDIZTXUJXJFX-JTQLQIEISA-N 1 2 256.346 1.128 20 30 CDEDLO CN(C)c1c(C=[NH+]N2CCN(C)CC2)ccc(F)c1F ZINC000863064687 814454811 /nfs/dbraw/zinc/45/48/11/814454811.db2.gz NQQDOHQUFKDIMN-UHFFFAOYSA-N 1 2 282.338 1.612 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@H]2OC)C1 ZINC001043145409 814496576 /nfs/dbraw/zinc/49/65/76/814496576.db2.gz YXHVHKCGBHMGMI-ZIAGYGMSSA-N 1 2 266.385 1.520 20 30 CDEDLO C#C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCCO1 ZINC000935460038 814555926 /nfs/dbraw/zinc/55/59/26/814555926.db2.gz UIRRTOAMYMGDNN-RISCZKNCSA-N 1 2 269.304 1.474 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccco1 ZINC001032622318 814587589 /nfs/dbraw/zinc/58/75/89/814587589.db2.gz KGELABHTYUKRCZ-IHRRRGAJSA-N 1 2 272.348 1.692 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccco1 ZINC001032622318 814587604 /nfs/dbraw/zinc/58/76/04/814587604.db2.gz KGELABHTYUKRCZ-IHRRRGAJSA-N 1 2 272.348 1.692 20 30 CDEDLO C[C@@H](CC(=O)NCCNc1ncccc1C#N)n1cc[nH+]c1 ZINC000845283926 814591933 /nfs/dbraw/zinc/59/19/33/814591933.db2.gz BDMXJGVUIZGBGF-LBPRGKRZSA-N 1 2 298.350 1.329 20 30 CDEDLO CC#CC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000119624207 814632860 /nfs/dbraw/zinc/63/28/60/814632860.db2.gz NPFMYHAAOAIVTE-LBPRGKRZSA-N 1 2 252.358 1.951 20 30 CDEDLO CC#CC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000119624207 814632866 /nfs/dbraw/zinc/63/28/66/814632866.db2.gz NPFMYHAAOAIVTE-LBPRGKRZSA-N 1 2 252.358 1.951 20 30 CDEDLO C=C1CC(C)(C(=O)N2CC[C@H]([NH2+]Cc3csnn3)C2)C1 ZINC001019353520 814705466 /nfs/dbraw/zinc/70/54/66/814705466.db2.gz OJMBTRQNZFMLFF-NSHDSACASA-N 1 2 292.408 1.585 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N(C)C)cc1 ZINC001018213136 814725443 /nfs/dbraw/zinc/72/54/43/814725443.db2.gz LVEAXZINLVLXOT-CALCHBBNSA-N 1 2 297.402 1.675 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N(C)C)cc1 ZINC001018213136 814725453 /nfs/dbraw/zinc/72/54/53/814725453.db2.gz LVEAXZINLVLXOT-CALCHBBNSA-N 1 2 297.402 1.675 20 30 CDEDLO C=C1CCC(C(=O)O[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000885652186 814735512 /nfs/dbraw/zinc/73/55/12/814735512.db2.gz PFWNSSMSOJOAOT-CYBMUJFWSA-N 1 2 267.369 1.997 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(-c2cccnc2)on1 ZINC001038655497 816739249 /nfs/dbraw/zinc/73/92/49/816739249.db2.gz ZUKBNOGIBCERMI-CYBMUJFWSA-N 1 2 298.346 1.727 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(-c2cccnc2)on1 ZINC001038655497 816739265 /nfs/dbraw/zinc/73/92/65/816739265.db2.gz ZUKBNOGIBCERMI-CYBMUJFWSA-N 1 2 298.346 1.727 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC000890652739 816744401 /nfs/dbraw/zinc/74/44/01/816744401.db2.gz WTULKCVDEPXHPA-GFCCVEGCSA-N 1 2 253.305 1.962 20 30 CDEDLO CS[C@H](C)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004349203 816790587 /nfs/dbraw/zinc/79/05/87/816790587.db2.gz HLDKGOUHZIKEFX-OCCSQVGLSA-N 1 2 295.452 1.964 20 30 CDEDLO CS[C@H](C)C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004349203 816790595 /nfs/dbraw/zinc/79/05/95/816790595.db2.gz HLDKGOUHZIKEFX-OCCSQVGLSA-N 1 2 295.452 1.964 20 30 CDEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C1CC1 ZINC001037979819 816895107 /nfs/dbraw/zinc/89/51/07/816895107.db2.gz HMTLZAQOOIBOEC-INIZCTEOSA-N 1 2 268.360 1.639 20 30 CDEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C1CC1 ZINC001037979819 816895110 /nfs/dbraw/zinc/89/51/10/816895110.db2.gz HMTLZAQOOIBOEC-INIZCTEOSA-N 1 2 268.360 1.639 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)CC2CCOCC2)C1 ZINC001042556687 816916985 /nfs/dbraw/zinc/91/69/85/816916985.db2.gz NHWGCENQUZDEQN-UHFFFAOYSA-N 1 2 252.358 1.132 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc(OC)cc2F)C1 ZINC001031188065 816918635 /nfs/dbraw/zinc/91/86/35/816918635.db2.gz YPHLKUYLZOQMFK-UHFFFAOYSA-N 1 2 290.338 1.201 20 30 CDEDLO C=C(C)C[N@H+](C)CN1C[C@@H](NC(=O)OC(C)(C)C)CC1=O ZINC000782940311 816950474 /nfs/dbraw/zinc/95/04/74/816950474.db2.gz JDFRTHOGTQMAOC-LBPRGKRZSA-N 1 2 297.399 1.577 20 30 CDEDLO C=C(C)C[N@@H+](C)CN1C[C@@H](NC(=O)OC(C)(C)C)CC1=O ZINC000782940311 816950485 /nfs/dbraw/zinc/95/04/85/816950485.db2.gz JDFRTHOGTQMAOC-LBPRGKRZSA-N 1 2 297.399 1.577 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2C[C@H](C)CO2)C1 ZINC001043389711 816973516 /nfs/dbraw/zinc/97/35/16/816973516.db2.gz VGEIZZAONVZGKB-WCQYABFASA-N 1 2 252.358 1.130 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccns2)[C@@H]1C ZINC000993391515 817007973 /nfs/dbraw/zinc/00/79/73/817007973.db2.gz GTDTZVTYQJHSNQ-NWDGAFQWSA-N 1 2 277.393 1.749 20 30 CDEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccns2)[C@@H]1C ZINC000993391515 817007983 /nfs/dbraw/zinc/00/79/83/817007983.db2.gz GTDTZVTYQJHSNQ-NWDGAFQWSA-N 1 2 277.393 1.749 20 30 CDEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000878996528 817025851 /nfs/dbraw/zinc/02/58/51/817025851.db2.gz KYGMREUSUABEDE-CQSZACIVSA-N 1 2 280.412 1.912 20 30 CDEDLO C#CCOc1ccc(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000848194005 817032876 /nfs/dbraw/zinc/03/28/76/817032876.db2.gz CWUFZPGVTGIZKB-ZDUSSCGKSA-N 1 2 297.358 1.917 20 30 CDEDLO C#CCOc1ccc(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000848194005 817032889 /nfs/dbraw/zinc/03/28/89/817032889.db2.gz CWUFZPGVTGIZKB-ZDUSSCGKSA-N 1 2 297.358 1.917 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)(C)C ZINC001017664487 817056244 /nfs/dbraw/zinc/05/62/44/817056244.db2.gz HJHQEMHQFGIXEV-MCIONIFRSA-N 1 2 262.397 1.977 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)(C)C ZINC001017664487 817056252 /nfs/dbraw/zinc/05/62/52/817056252.db2.gz HJHQEMHQFGIXEV-MCIONIFRSA-N 1 2 262.397 1.977 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H](C)c2cccnc2)C1 ZINC001044198211 817070524 /nfs/dbraw/zinc/07/05/24/817070524.db2.gz OQAGLCWQRMHQOM-CYBMUJFWSA-N 1 2 271.364 1.351 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2nccc2C)C1 ZINC001033477981 817071222 /nfs/dbraw/zinc/07/12/22/817071222.db2.gz HZSPPNLGMVKEJP-CYBMUJFWSA-N 1 2 296.802 1.477 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2nccc2C)C1 ZINC001033477981 817071229 /nfs/dbraw/zinc/07/12/29/817071229.db2.gz HZSPPNLGMVKEJP-CYBMUJFWSA-N 1 2 296.802 1.477 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]cnc1CC ZINC001018227861 817107696 /nfs/dbraw/zinc/10/76/96/817107696.db2.gz PROXOCGJUHRDQE-BETUJISGSA-N 1 2 286.379 1.284 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]cnc1CC ZINC001018227861 817107702 /nfs/dbraw/zinc/10/77/02/817107702.db2.gz PROXOCGJUHRDQE-BETUJISGSA-N 1 2 286.379 1.284 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(=O)[nH]c(C3CC3)c2)C1 ZINC001030427116 817149077 /nfs/dbraw/zinc/14/90/77/817149077.db2.gz ZMCARJJYIYRRAK-UHFFFAOYSA-N 1 2 285.347 1.102 20 30 CDEDLO Cc1nc(NC[C@]2(C)CCN(C(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001065398438 817185006 /nfs/dbraw/zinc/18/50/06/817185006.db2.gz PLJORUNXVQKWGR-NHYWBVRUSA-N 1 2 287.367 1.595 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2CC3(CC3)C2)C1 ZINC001035501436 817251047 /nfs/dbraw/zinc/25/10/47/817251047.db2.gz JBMHZRHZYDSLON-ZDUSSCGKSA-N 1 2 264.369 1.180 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C2CC3(CC3)C2)C1 ZINC001035501436 817251052 /nfs/dbraw/zinc/25/10/52/817251052.db2.gz JBMHZRHZYDSLON-ZDUSSCGKSA-N 1 2 264.369 1.180 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ncccn1 ZINC000960504491 817315036 /nfs/dbraw/zinc/31/50/36/817315036.db2.gz VICOBXKDGUBZLD-OLZOCXBDSA-N 1 2 287.367 1.059 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ncccn1 ZINC000960504491 817315049 /nfs/dbraw/zinc/31/50/49/817315049.db2.gz VICOBXKDGUBZLD-OLZOCXBDSA-N 1 2 287.367 1.059 20 30 CDEDLO Cc1nocc1C[NH+]1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001031622471 817334239 /nfs/dbraw/zinc/33/42/39/817334239.db2.gz METZXMCYOIDEQG-UHFFFAOYSA-N 1 2 299.334 1.045 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCCO[C@H]2CC)C1 ZINC001030424468 817382889 /nfs/dbraw/zinc/38/28/89/817382889.db2.gz SJZIGLKQTFBRRY-KBPBESRZSA-N 1 2 264.369 1.015 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NCCNC(=O)N(C)C ZINC000820682207 817454851 /nfs/dbraw/zinc/45/48/51/817454851.db2.gz OTYBBJUBFGRLMA-UHFFFAOYSA-N 1 2 290.367 1.557 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OCC)cc1 ZINC001038988296 817535336 /nfs/dbraw/zinc/53/53/36/817535336.db2.gz ZGRVFASFSPNBSV-OAHLLOKOSA-N 1 2 286.375 1.913 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OCC)cc1 ZINC001038988296 817535349 /nfs/dbraw/zinc/53/53/49/817535349.db2.gz ZGRVFASFSPNBSV-OAHLLOKOSA-N 1 2 286.375 1.913 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cccn1C ZINC001027759899 817691853 /nfs/dbraw/zinc/69/18/53/817691853.db2.gz NUDSZMHHJDNWOD-LBPRGKRZSA-N 1 2 281.787 1.972 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccn1C ZINC001027759899 817691867 /nfs/dbraw/zinc/69/18/67/817691867.db2.gz NUDSZMHHJDNWOD-LBPRGKRZSA-N 1 2 281.787 1.972 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001032641375 817695187 /nfs/dbraw/zinc/69/51/87/817695187.db2.gz MIPCDBIHVPTHTM-IGQOVBAYSA-N 1 2 270.332 1.301 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001032641375 817695202 /nfs/dbraw/zinc/69/52/02/817695202.db2.gz MIPCDBIHVPTHTM-IGQOVBAYSA-N 1 2 270.332 1.301 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(Cl)o2)C1 ZINC001035291513 817809982 /nfs/dbraw/zinc/80/99/82/817809982.db2.gz UIRQAUFLMBQCSU-NSHDSACASA-N 1 2 296.754 1.387 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(Cl)o2)C1 ZINC001035291513 817809985 /nfs/dbraw/zinc/80/99/85/817809985.db2.gz UIRQAUFLMBQCSU-NSHDSACASA-N 1 2 296.754 1.387 20 30 CDEDLO C=CC(C)(C)CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000879942160 817812847 /nfs/dbraw/zinc/81/28/47/817812847.db2.gz TYXUSDFFUMWJJR-ZIAGYGMSSA-N 1 2 280.412 1.910 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)C#Cc1cccs1 ZINC000825683819 817838103 /nfs/dbraw/zinc/83/81/03/817838103.db2.gz VEIBXBMCYLTHRE-UHFFFAOYSA-N 1 2 292.404 1.327 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)C#Cc1cccs1 ZINC000825683819 817838104 /nfs/dbraw/zinc/83/81/04/817838104.db2.gz VEIBXBMCYLTHRE-UHFFFAOYSA-N 1 2 292.404 1.327 20 30 CDEDLO C[C@H]1C(=O)NCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000110515830 817838994 /nfs/dbraw/zinc/83/89/94/817838994.db2.gz CTNMQTJIPJKQHA-LBPRGKRZSA-N 1 2 273.336 1.147 20 30 CDEDLO C[C@H]1C(=O)NCC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000110515830 817838997 /nfs/dbraw/zinc/83/89/97/817838997.db2.gz CTNMQTJIPJKQHA-LBPRGKRZSA-N 1 2 273.336 1.147 20 30 CDEDLO COc1cc(C#N)ccc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000822364996 817846284 /nfs/dbraw/zinc/84/62/84/817846284.db2.gz OUSQXQYJUHJTKM-UHFFFAOYSA-N 1 2 284.319 1.273 20 30 CDEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C3CCC3)C2)CC1 ZINC001051965363 817881594 /nfs/dbraw/zinc/88/15/94/817881594.db2.gz YCYDQICIGHAJHB-MRXNPFEDSA-N 1 2 291.439 1.581 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2nc(C)[nH]c21 ZINC001032715172 817889208 /nfs/dbraw/zinc/88/92/08/817889208.db2.gz PWZLBFWVYINERH-STQMWFEESA-N 1 2 294.358 1.403 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2nc(C)[nH]c21 ZINC001032715172 817889210 /nfs/dbraw/zinc/88/92/10/817889210.db2.gz PWZLBFWVYINERH-STQMWFEESA-N 1 2 294.358 1.403 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000782585774 817937413 /nfs/dbraw/zinc/93/74/13/817937413.db2.gz POQQZDZLJZZICD-GFCCVEGCSA-N 1 2 257.337 1.529 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000782585774 817937425 /nfs/dbraw/zinc/93/74/25/817937425.db2.gz POQQZDZLJZZICD-GFCCVEGCSA-N 1 2 257.337 1.529 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934433867 817993298 /nfs/dbraw/zinc/99/32/98/817993298.db2.gz GYCQSJGMJQKEKA-RBSFLKMASA-N 1 2 275.348 1.249 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934433867 817993308 /nfs/dbraw/zinc/99/33/08/817993308.db2.gz GYCQSJGMJQKEKA-RBSFLKMASA-N 1 2 275.348 1.249 20 30 CDEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2ccc3[nH]nnc3c2)[C@H]1C ZINC001089033422 912511581 /nfs/dbraw/zinc/51/15/81/912511581.db2.gz RDJLLPJJKAAIME-PWSUYJOCSA-N 1 2 285.351 1.337 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3[nH]nnc3c2)[C@H]1C ZINC001089033422 912511600 /nfs/dbraw/zinc/51/16/00/912511600.db2.gz RDJLLPJJKAAIME-PWSUYJOCSA-N 1 2 285.351 1.337 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173586852 912634471 /nfs/dbraw/zinc/63/44/71/912634471.db2.gz KDZOQRDRXMNHEM-AKJDGMEZSA-N 1 2 270.398 1.910 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC)SC ZINC001233733818 913010192 /nfs/dbraw/zinc/01/01/92/913010192.db2.gz WGEHTSNEYLKOMD-QWHCGFSZSA-N 1 2 268.426 1.684 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC)SC ZINC001233733818 913010212 /nfs/dbraw/zinc/01/02/12/913010212.db2.gz WGEHTSNEYLKOMD-QWHCGFSZSA-N 1 2 268.426 1.684 20 30 CDEDLO CCC[N@@H+]1C[C@]2(F)CN(CCCC#N)C(=O)[C@]2(F)C1 ZINC001272453406 913129283 /nfs/dbraw/zinc/12/92/83/913129283.db2.gz NWQUEZXZRUXVAS-QWHCGFSZSA-N 1 2 271.311 1.275 20 30 CDEDLO CCC[N@H+]1C[C@]2(F)CN(CCCC#N)C(=O)[C@]2(F)C1 ZINC001272453406 913129287 /nfs/dbraw/zinc/12/92/87/913129287.db2.gz NWQUEZXZRUXVAS-QWHCGFSZSA-N 1 2 271.311 1.275 20 30 CDEDLO Cc1nc(C#N)c(N=NC(C)c2cn(C)c(C)[nH+]2)o1 ZINC000800811539 913198422 /nfs/dbraw/zinc/19/84/22/913198422.db2.gz YJYHSBRBRHOJDH-UHFFFAOYSA-N 1 2 258.285 1.733 20 30 CDEDLO C[C@@H](CCCCNCC#N)NC(=O)CCn1cc[nH+]c1 ZINC001174579708 913219013 /nfs/dbraw/zinc/21/90/13/913219013.db2.gz BJQBEOWDTUHYPN-ZDUSSCGKSA-N 1 2 277.372 1.061 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cn(CC)nc2C(C)C)C1 ZINC001031027238 913427312 /nfs/dbraw/zinc/42/73/12/913427312.db2.gz WAHBBEGOGNCQNG-UHFFFAOYSA-N 1 2 288.395 1.464 20 30 CDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001031077338 913561852 /nfs/dbraw/zinc/56/18/52/913561852.db2.gz OOGCVAFRNPLVTI-KBPBESRZSA-N 1 2 284.375 1.518 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c(C)cccc2O)CC1 ZINC001188646722 921117797 /nfs/dbraw/zinc/11/77/97/921117797.db2.gz FOEQPEHUOONESF-UHFFFAOYSA-N 1 2 260.337 1.644 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)C1 ZINC001031178300 913883004 /nfs/dbraw/zinc/88/30/04/913883004.db2.gz PXYWLLBPXYACPG-HKUYNNGSSA-N 1 2 294.398 1.714 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C1(CCOC)CC1 ZINC001480872247 894759689 /nfs/dbraw/zinc/75/96/89/894759689.db2.gz RJISJBLFBBEMBS-UHFFFAOYSA-N 1 2 274.792 1.604 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C1(CCOC)CC1 ZINC001480872247 894759693 /nfs/dbraw/zinc/75/96/93/894759693.db2.gz RJISJBLFBBEMBS-UHFFFAOYSA-N 1 2 274.792 1.604 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCO[C@H](C(C)C)C2)C1 ZINC001031207986 914016519 /nfs/dbraw/zinc/01/65/19/914016519.db2.gz QIGNKQGRANGWIY-ZFWWWQNUSA-N 1 2 278.396 1.261 20 30 CDEDLO Cc1nc(N2CCC[C@@H](NC(=O)[C@H](C)C#N)CC2)cc[nH+]1 ZINC001111980156 898619682 /nfs/dbraw/zinc/61/96/82/898619682.db2.gz SQGHZPBKZBYTJK-DGCLKSJQSA-N 1 2 287.367 1.420 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001010059723 900894727 /nfs/dbraw/zinc/89/47/27/900894727.db2.gz NNDNEHYFGWKYJI-CVEARBPZSA-N 1 2 299.374 1.428 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001010059723 900894734 /nfs/dbraw/zinc/89/47/34/900894734.db2.gz NNDNEHYFGWKYJI-CVEARBPZSA-N 1 2 299.374 1.428 20 30 CDEDLO Cc1ncoc1C[N@@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC000981126404 901176662 /nfs/dbraw/zinc/17/66/62/901176662.db2.gz UDGAUFQKVVDFCY-UHFFFAOYSA-N 1 2 287.363 1.431 20 30 CDEDLO Cc1ncoc1C[N@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC000981126404 901176676 /nfs/dbraw/zinc/17/66/76/901176676.db2.gz UDGAUFQKVVDFCY-UHFFFAOYSA-N 1 2 287.363 1.431 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001031461566 914654228 /nfs/dbraw/zinc/65/42/28/914654228.db2.gz DRNJAWAQUJHLJZ-JKSUJKDBSA-N 1 2 286.350 1.753 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccnc2OC(C)C)C1 ZINC001031499015 914679537 /nfs/dbraw/zinc/67/95/37/914679537.db2.gz CXEVWLDBEDTXCD-UHFFFAOYSA-N 1 2 287.363 1.306 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(F)cn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225692641 903851945 /nfs/dbraw/zinc/85/19/45/903851945.db2.gz WVQQFVSQJXDTEA-NJFCNUMCSA-N 1 2 250.273 1.212 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(F)cn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225692641 903851948 /nfs/dbraw/zinc/85/19/48/903851948.db2.gz WVQQFVSQJXDTEA-NJFCNUMCSA-N 1 2 250.273 1.212 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]n2)[C@H]1CC ZINC001087636116 905731544 /nfs/dbraw/zinc/73/15/44/905731544.db2.gz APHMKPLHLBIQBD-GXSJLCMTSA-N 1 2 283.763 1.140 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]n2)[C@H]1CC ZINC001087636116 905731556 /nfs/dbraw/zinc/73/15/56/905731556.db2.gz APHMKPLHLBIQBD-GXSJLCMTSA-N 1 2 283.763 1.140 20 30 CDEDLO C#Cc1ccc(C(=O)NCCOc2cc[nH+]cc2)cc1 ZINC001188742746 921178103 /nfs/dbraw/zinc/17/81/03/921178103.db2.gz MVPLYGZRRZUKNP-UHFFFAOYSA-N 1 2 266.300 1.872 20 30 CDEDLO C#C[C@H]([NH2+]Cc1nc2c(s1)CCC2)[C@@H]1CCCO1 ZINC000775345978 921829148 /nfs/dbraw/zinc/82/91/48/921829148.db2.gz AOMBVXRJUCYAMT-JQWIXIFHSA-N 1 2 262.378 1.902 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nc(CCC)no1 ZINC001128405155 921295559 /nfs/dbraw/zinc/29/55/59/921295559.db2.gz QTRFVGYNVREOGI-UHFFFAOYSA-N 1 2 280.372 1.584 20 30 CDEDLO CC#CCCCC(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128448713 921305604 /nfs/dbraw/zinc/30/56/04/921305604.db2.gz VVMKMWHACDNBIF-UHFFFAOYSA-N 1 2 288.395 1.528 20 30 CDEDLO CC#CCCCC(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128448713 921305605 /nfs/dbraw/zinc/30/56/05/921305605.db2.gz VVMKMWHACDNBIF-UHFFFAOYSA-N 1 2 288.395 1.528 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@H]1Cc2cccc(Cl)c2C1 ZINC001168717621 921432167 /nfs/dbraw/zinc/43/21/67/921432167.db2.gz BKTXHWMCHXIATL-NWDGAFQWSA-N 1 2 261.756 1.605 20 30 CDEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)CC1CC1)c1nccn12 ZINC001092343376 909384135 /nfs/dbraw/zinc/38/41/35/909384135.db2.gz CJWHLYZWIOMLMA-CQSZACIVSA-N 1 2 298.390 1.278 20 30 CDEDLO N#Cc1ccc(NCCCNC(=O)CCc2c[nH]c[nH+]2)nc1 ZINC001094856427 911025202 /nfs/dbraw/zinc/02/52/02/911025202.db2.gz ZXDUTTFYSBZMNR-UHFFFAOYSA-N 1 2 298.350 1.227 20 30 CDEDLO N#Cc1ccc(NCCCNC(=O)CCc2c[nH+]c[nH]2)nc1 ZINC001094856427 911025217 /nfs/dbraw/zinc/02/52/17/911025217.db2.gz ZXDUTTFYSBZMNR-UHFFFAOYSA-N 1 2 298.350 1.227 20 30 CDEDLO CC[C@H](C#N)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC001172888093 912046502 /nfs/dbraw/zinc/04/65/02/912046502.db2.gz ZYMBZXLDWXHYFQ-GFCCVEGCSA-N 1 2 281.400 1.684 20 30 CDEDLO N#C[C@@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178105423 915175085 /nfs/dbraw/zinc/17/50/85/915175085.db2.gz UUXFIYAZGONTNQ-RYUDHWBXSA-N 1 2 258.325 1.350 20 30 CDEDLO CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)c2[nH]ncc2F)C12CCC2 ZINC001203356885 915491802 /nfs/dbraw/zinc/49/18/02/915491802.db2.gz CDSMTKNLOQZTPP-VXGBXAGGSA-N 1 2 290.342 1.203 20 30 CDEDLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C#N)cc1C#N ZINC001178697708 915588388 /nfs/dbraw/zinc/58/83/88/915588388.db2.gz LYTAIHOLGXHJJM-CQSZACIVSA-N 1 2 268.320 1.853 20 30 CDEDLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C#N)cc1C#N ZINC001178697708 915588402 /nfs/dbraw/zinc/58/84/02/915588402.db2.gz LYTAIHOLGXHJJM-CQSZACIVSA-N 1 2 268.320 1.853 20 30 CDEDLO CC#CC(=O)N1CC[NH+](C[C@@H](OC)c2ccccc2)CC1 ZINC001179751322 915967934 /nfs/dbraw/zinc/96/79/34/915967934.db2.gz DSFINDFEMBJUER-MRXNPFEDSA-N 1 2 286.375 1.542 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001179894395 916029566 /nfs/dbraw/zinc/02/95/66/916029566.db2.gz GYHRKEQFPNSUNW-GFCCVEGCSA-N 1 2 297.362 1.367 20 30 CDEDLO C=CCCC(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001124640548 936327509 /nfs/dbraw/zinc/32/75/09/936327509.db2.gz ISLAZZPRTWBJEO-VIFPVBQESA-N 1 2 254.359 1.271 20 30 CDEDLO COc1ccc(C[N@@H+]2CCOC[C@@](C)(O)C2)c(C#N)c1 ZINC001137699549 936391401 /nfs/dbraw/zinc/39/14/01/936391401.db2.gz LMINOWMYVZNHBQ-HNNXBMFYSA-N 1 2 276.336 1.150 20 30 CDEDLO COc1ccc(C[N@H+]2CCOC[C@@](C)(O)C2)c(C#N)c1 ZINC001137699549 936391403 /nfs/dbraw/zinc/39/14/03/936391403.db2.gz LMINOWMYVZNHBQ-HNNXBMFYSA-N 1 2 276.336 1.150 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@H]1CCCO1)CCO2 ZINC001053171054 936409628 /nfs/dbraw/zinc/40/96/28/936409628.db2.gz RBDXXGVQIBDKGD-CQSZACIVSA-N 1 2 294.395 1.045 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1CCC1)CO2 ZINC001053715319 936416712 /nfs/dbraw/zinc/41/67/12/936416712.db2.gz WNBRZAMVJMEFEG-ZDUSSCGKSA-N 1 2 264.369 1.322 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001124487895 917396444 /nfs/dbraw/zinc/39/64/44/917396444.db2.gz HZDOZCAKHKASQZ-QWRGUYRKSA-N 1 2 298.412 1.286 20 30 CDEDLO CC(C)c1cnc(C[NH2+]CCNC(=O)[C@@H](C)C#N)o1 ZINC001124904156 917753181 /nfs/dbraw/zinc/75/31/81/917753181.db2.gz XMELKTXFUNGUCM-JTQLQIEISA-N 1 2 264.329 1.163 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3C[C@@H](C)[C@@H](NCC#N)C3)ccn12 ZINC001054662761 936466219 /nfs/dbraw/zinc/46/62/19/936466219.db2.gz TYQFMGOHMUHMIS-RISCZKNCSA-N 1 2 297.362 1.216 20 30 CDEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCC(C)C)nn2)C1 ZINC001107125207 918144892 /nfs/dbraw/zinc/14/48/92/918144892.db2.gz OGBHBTKTHFQLIY-UHFFFAOYSA-N 1 2 291.399 1.373 20 30 CDEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C3(C)CCC3)nn2)C1 ZINC001107194283 918250148 /nfs/dbraw/zinc/25/01/48/918250148.db2.gz PZAGLAMURVXZBS-UHFFFAOYSA-N 1 2 289.383 1.127 20 30 CDEDLO CC[C@H](CC#N)[NH2+][C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001255157208 936507007 /nfs/dbraw/zinc/50/70/07/936507007.db2.gz XSSSMMWCDGTINJ-YPMHNXCESA-N 1 2 261.325 1.070 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)[C@H](C#N)Cc1ccc(O)cc1 ZINC001183617314 918591139 /nfs/dbraw/zinc/59/11/39/918591139.db2.gz NHAGSHDYYWJRPE-ZDUSSCGKSA-N 1 2 298.346 1.167 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC(C)C)C1 ZINC001107701723 918646248 /nfs/dbraw/zinc/64/62/48/918646248.db2.gz GAXICIDOEILHEX-HNNXBMFYSA-N 1 2 266.385 1.263 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CC(C)C)C1 ZINC001107701723 918646264 /nfs/dbraw/zinc/64/62/64/918646264.db2.gz GAXICIDOEILHEX-HNNXBMFYSA-N 1 2 266.385 1.263 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCC(C)C)C1 ZINC001107722616 918689125 /nfs/dbraw/zinc/68/91/25/918689125.db2.gz MLKAIQABXSIKDG-OAHLLOKOSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCC(C)C)C1 ZINC001107722616 918689134 /nfs/dbraw/zinc/68/91/34/918689134.db2.gz MLKAIQABXSIKDG-OAHLLOKOSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc[nH]2)C1 ZINC001107734663 918703036 /nfs/dbraw/zinc/70/30/36/918703036.db2.gz JSKNERJFXFFADD-CQSZACIVSA-N 1 2 263.341 1.021 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc[nH]2)C1 ZINC001107734663 918703050 /nfs/dbraw/zinc/70/30/50/918703050.db2.gz JSKNERJFXFFADD-CQSZACIVSA-N 1 2 263.341 1.021 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2scnc2C)C1 ZINC001107766248 918755974 /nfs/dbraw/zinc/75/59/74/918755974.db2.gz NQLMQVGJIKZJLB-AWEZNQCLSA-N 1 2 295.408 1.458 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2scnc2C)C1 ZINC001107766248 918755989 /nfs/dbraw/zinc/75/59/89/918755989.db2.gz NQLMQVGJIKZJLB-AWEZNQCLSA-N 1 2 295.408 1.458 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)C(=O)C(C)(C)C)C1 ZINC001107824051 918835524 /nfs/dbraw/zinc/83/55/24/918835524.db2.gz FRJVXGOVCKCYRZ-MRXNPFEDSA-N 1 2 296.411 1.385 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)C(=O)C(C)(C)C)C1 ZINC001107824051 918835539 /nfs/dbraw/zinc/83/55/39/918835539.db2.gz FRJVXGOVCKCYRZ-MRXNPFEDSA-N 1 2 296.411 1.385 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)/C(C)=C/C)C1 ZINC001107855939 918893198 /nfs/dbraw/zinc/89/31/98/918893198.db2.gz ZZYRQHCYGIVRCR-NNSJBKGDSA-N 1 2 264.369 1.183 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)/C(C)=C/C)C1 ZINC001107855939 918893214 /nfs/dbraw/zinc/89/32/14/918893214.db2.gz ZZYRQHCYGIVRCR-NNSJBKGDSA-N 1 2 264.369 1.183 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(F)=C(C)C)C1 ZINC001107863358 918917163 /nfs/dbraw/zinc/91/71/63/918917163.db2.gz FLLWPSWPZNPQQD-AWEZNQCLSA-N 1 2 270.348 1.643 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C(F)=C(C)C)C1 ZINC001107863358 918917172 /nfs/dbraw/zinc/91/71/72/918917172.db2.gz FLLWPSWPZNPQQD-AWEZNQCLSA-N 1 2 270.348 1.643 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)/C=C\c2ccc[nH]2)C1 ZINC001107897655 919020690 /nfs/dbraw/zinc/02/06/90/919020690.db2.gz MBNREYAZJWZNMY-WLMCBFPDSA-N 1 2 289.379 1.421 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)/C=C\c2ccc[nH]2)C1 ZINC001107897655 919020710 /nfs/dbraw/zinc/02/07/10/919020710.db2.gz MBNREYAZJWZNMY-WLMCBFPDSA-N 1 2 289.379 1.421 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(C)sn2)C1 ZINC001107902570 919028511 /nfs/dbraw/zinc/02/85/11/919028511.db2.gz JSXSGRRUTABFMK-AWEZNQCLSA-N 1 2 295.408 1.458 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(C)sn2)C1 ZINC001107902570 919028528 /nfs/dbraw/zinc/02/85/28/919028528.db2.gz JSXSGRRUTABFMK-AWEZNQCLSA-N 1 2 295.408 1.458 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]ccc1C1CC1 ZINC001032438545 919133127 /nfs/dbraw/zinc/13/31/27/919133127.db2.gz FYTNSVDCYTYCBX-KBPBESRZSA-N 1 2 283.375 1.814 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]ccc1C1CC1 ZINC001032438545 919133137 /nfs/dbraw/zinc/13/31/37/919133137.db2.gz FYTNSVDCYTYCBX-KBPBESRZSA-N 1 2 283.375 1.814 20 30 CDEDLO CCN(C(=O)Nc1ccc(C#N)cc1)C1C[NH+](C)C1 ZINC001184742632 919262224 /nfs/dbraw/zinc/26/22/24/919262224.db2.gz JNMCMLYWZNFKQX-UHFFFAOYSA-N 1 2 258.325 1.726 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCCC1 ZINC001032547676 919371579 /nfs/dbraw/zinc/37/15/79/919371579.db2.gz KNXHPDXDVDXNIG-KBPBESRZSA-N 1 2 260.381 1.875 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCCC1 ZINC001032547676 919371594 /nfs/dbraw/zinc/37/15/94/919371594.db2.gz KNXHPDXDVDXNIG-KBPBESRZSA-N 1 2 260.381 1.875 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccns2)C1 ZINC001107980154 919458787 /nfs/dbraw/zinc/45/87/87/919458787.db2.gz QWESMXXRMWRJGP-ZDUSSCGKSA-N 1 2 281.381 1.150 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccns2)C1 ZINC001107980154 919458795 /nfs/dbraw/zinc/45/87/95/919458795.db2.gz QWESMXXRMWRJGP-ZDUSSCGKSA-N 1 2 281.381 1.150 20 30 CDEDLO C#Cc1cnc(N2CC[NH+](Cc3ccccn3)CC2)nc1 ZINC000827328433 936587540 /nfs/dbraw/zinc/58/75/40/936587540.db2.gz RPJQWLXOUGVJIZ-UHFFFAOYSA-N 1 2 279.347 1.175 20 30 CDEDLO C=CCn1cc(C[NH+]2CCN(c3cccnc3)CC2)cn1 ZINC001139768995 936645155 /nfs/dbraw/zinc/64/51/55/936645155.db2.gz YGYHEHLHTCEAHT-UHFFFAOYSA-N 1 2 283.379 1.786 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ncc[nH]2)CC[C@H]1C ZINC001071496963 936683467 /nfs/dbraw/zinc/68/34/67/936683467.db2.gz ALRBMMOLALVRED-GHMZBOCLSA-N 1 2 282.775 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ncc[nH]2)CC[C@H]1C ZINC001071496963 936683469 /nfs/dbraw/zinc/68/34/69/936683469.db2.gz ALRBMMOLALVRED-GHMZBOCLSA-N 1 2 282.775 1.745 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccncn2)C1 ZINC001140349632 936705909 /nfs/dbraw/zinc/70/59/09/936705909.db2.gz FNBKALWPIOCCPW-ZDUSSCGKSA-N 1 2 276.340 1.353 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccncn2)C1 ZINC001140349632 936705911 /nfs/dbraw/zinc/70/59/11/936705911.db2.gz FNBKALWPIOCCPW-ZDUSSCGKSA-N 1 2 276.340 1.353 20 30 CDEDLO CC#CC[N@H+](C)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190268922 921945878 /nfs/dbraw/zinc/94/58/78/921945878.db2.gz GFMIBXNMKFUARY-UWVGGRQHSA-N 1 2 280.265 1.443 20 30 CDEDLO CC#CC[N@@H+](C)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190268922 921945881 /nfs/dbraw/zinc/94/58/81/921945881.db2.gz GFMIBXNMKFUARY-UWVGGRQHSA-N 1 2 280.265 1.443 20 30 CDEDLO CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001190268922 921945891 /nfs/dbraw/zinc/94/58/91/921945891.db2.gz GFMIBXNMKFUARY-UWVGGRQHSA-N 1 2 280.265 1.443 20 30 CDEDLO CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001190268922 921945901 /nfs/dbraw/zinc/94/59/01/921945901.db2.gz GFMIBXNMKFUARY-UWVGGRQHSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2ncc(Cl)s2)C1 ZINC001033260164 922107877 /nfs/dbraw/zinc/10/78/77/922107877.db2.gz UDWKBJSVDBNDHR-SECBINFHSA-N 1 2 283.784 1.576 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ncc(Cl)s2)C1 ZINC001033260164 922107885 /nfs/dbraw/zinc/10/78/85/922107885.db2.gz UDWKBJSVDBNDHR-SECBINFHSA-N 1 2 283.784 1.576 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccn(CC)n2)C1 ZINC001033471618 922228908 /nfs/dbraw/zinc/22/89/08/922228908.db2.gz MFBHXWKUQSEDRX-LBPRGKRZSA-N 1 2 296.802 1.802 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(CC)n2)C1 ZINC001033471618 922228923 /nfs/dbraw/zinc/22/89/23/922228923.db2.gz MFBHXWKUQSEDRX-LBPRGKRZSA-N 1 2 296.802 1.802 20 30 CDEDLO C=CC[NH+]1CCN(Cc2ccc(O)c(F)c2F)CC1 ZINC001140890401 936771249 /nfs/dbraw/zinc/77/12/49/936771249.db2.gz FIJUCHDQHVQNHA-UHFFFAOYSA-N 1 2 268.307 1.974 20 30 CDEDLO C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)Nc1ccc(C#N)nc1 ZINC001099405063 936788546 /nfs/dbraw/zinc/78/85/46/936788546.db2.gz MAYQZCOQROILKA-LLVKDONJSA-N 1 2 298.350 1.226 20 30 CDEDLO C/C=C(/C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001192119808 922912174 /nfs/dbraw/zinc/91/21/74/922912174.db2.gz ONGYUSLICSQWDU-CBXBZZDSSA-N 1 2 298.386 1.166 20 30 CDEDLO C/C=C(/C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001192119808 922912184 /nfs/dbraw/zinc/91/21/84/922912184.db2.gz ONGYUSLICSQWDU-CBXBZZDSSA-N 1 2 298.386 1.166 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC)[C@@H](O)C1 ZINC001099628109 936794439 /nfs/dbraw/zinc/79/44/39/936794439.db2.gz WJGKIYKTLLHEHN-QWRGUYRKSA-N 1 2 260.765 1.090 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC)[C@@H](O)C1 ZINC001099628109 936794442 /nfs/dbraw/zinc/79/44/42/936794442.db2.gz WJGKIYKTLLHEHN-QWRGUYRKSA-N 1 2 260.765 1.090 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccncc2C)C1 ZINC001035367831 922973655 /nfs/dbraw/zinc/97/36/55/922973655.db2.gz MUKJUHPORSEQBK-ZDUSSCGKSA-N 1 2 275.352 1.007 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccncc2C)C1 ZINC001035367831 922973663 /nfs/dbraw/zinc/97/36/63/922973663.db2.gz MUKJUHPORSEQBK-ZDUSSCGKSA-N 1 2 275.352 1.007 20 30 CDEDLO Cc1ncc(C(=O)N2CCc3[nH+]ccn3CC2)cc1C#N ZINC001192289511 922993604 /nfs/dbraw/zinc/99/36/04/922993604.db2.gz ROFUDWPVQSYMFI-UHFFFAOYSA-N 1 2 281.319 1.157 20 30 CDEDLO C#CCOc1ccc(CNC(=O)Cc2c[nH+]cn2C)cc1 ZINC000836870539 936807707 /nfs/dbraw/zinc/80/77/07/936807707.db2.gz WJWZVYZYQZBNKV-UHFFFAOYSA-N 1 2 283.331 1.291 20 30 CDEDLO Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C)C#N)c(C)c(C)[nH+]1 ZINC001062456963 923325956 /nfs/dbraw/zinc/32/59/56/923325956.db2.gz GBIHQCUULAUBIF-HERUPUMHSA-N 1 2 299.378 1.351 20 30 CDEDLO C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001193131689 923479209 /nfs/dbraw/zinc/47/92/09/923479209.db2.gz SXUOWQDFWFFESL-OPRDCNLKSA-N 1 2 298.280 1.014 20 30 CDEDLO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001193131689 923479215 /nfs/dbraw/zinc/47/92/15/923479215.db2.gz SXUOWQDFWFFESL-OPRDCNLKSA-N 1 2 298.280 1.014 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001079592477 924379701 /nfs/dbraw/zinc/37/97/01/924379701.db2.gz IHZYMMKSKVRAFY-NOZJJQNGSA-N 1 2 292.770 1.689 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001079592477 924379703 /nfs/dbraw/zinc/37/97/03/924379703.db2.gz IHZYMMKSKVRAFY-NOZJJQNGSA-N 1 2 292.770 1.689 20 30 CDEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(C)=O ZINC001081235793 924716481 /nfs/dbraw/zinc/71/64/81/924716481.db2.gz FDCVZTFNHHUTCK-HZPDHXFCSA-N 1 2 290.338 1.013 20 30 CDEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(C)=O ZINC001081235793 924716491 /nfs/dbraw/zinc/71/64/91/924716491.db2.gz FDCVZTFNHHUTCK-HZPDHXFCSA-N 1 2 290.338 1.013 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)cccc2C)[C@H](OC)C1 ZINC001082160014 924873555 /nfs/dbraw/zinc/87/35/55/924873555.db2.gz YBAARNFHDOMRTC-HUUCEWRRSA-N 1 2 286.375 1.366 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)cccc2C)[C@H](OC)C1 ZINC001082160014 924873558 /nfs/dbraw/zinc/87/35/58/924873558.db2.gz YBAARNFHDOMRTC-HUUCEWRRSA-N 1 2 286.375 1.366 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCO3)[C@@H]2C1 ZINC001084172148 925168507 /nfs/dbraw/zinc/16/85/07/925168507.db2.gz CLBBPSPUWJGDQZ-UPJWGTAASA-N 1 2 284.787 1.451 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCO3)[C@@H]2C1 ZINC001084172148 925168512 /nfs/dbraw/zinc/16/85/12/925168512.db2.gz CLBBPSPUWJGDQZ-UPJWGTAASA-N 1 2 284.787 1.451 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101512189 936980476 /nfs/dbraw/zinc/98/04/76/936980476.db2.gz HHFQVTZLXSUZHH-GFCCVEGCSA-N 1 2 292.383 1.637 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3nc(C)c(C)s3)[C@@H]2C1 ZINC001084840002 925453373 /nfs/dbraw/zinc/45/33/73/925453373.db2.gz IUMCPKSPJDEAGF-CHWSQXEVSA-N 1 2 289.404 1.539 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3nc(C)c(C)s3)[C@@H]2C1 ZINC001084840002 925453378 /nfs/dbraw/zinc/45/33/78/925453378.db2.gz IUMCPKSPJDEAGF-CHWSQXEVSA-N 1 2 289.404 1.539 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](CNC(=O)C(F)C(F)(F)F)[C@H](C)C1 ZINC001101987060 937035158 /nfs/dbraw/zinc/03/51/58/937035158.db2.gz WNFXWWNVLSGPJU-OPRDCNLKSA-N 1 2 280.265 1.204 20 30 CDEDLO C#CC[N@H+]1C[C@@H](CNC(=O)C(F)C(F)(F)F)[C@H](C)C1 ZINC001101987060 937035159 /nfs/dbraw/zinc/03/51/59/937035159.db2.gz WNFXWWNVLSGPJU-OPRDCNLKSA-N 1 2 280.265 1.204 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)[C@H](C)C1 ZINC001101987060 937035160 /nfs/dbraw/zinc/03/51/60/937035160.db2.gz WNFXWWNVLSGPJU-OPRDCNLKSA-N 1 2 280.265 1.204 20 30 CDEDLO C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)[C@H](C)C1 ZINC001101987060 937035161 /nfs/dbraw/zinc/03/51/61/937035161.db2.gz WNFXWWNVLSGPJU-OPRDCNLKSA-N 1 2 280.265 1.204 20 30 CDEDLO C#CC[N@@H+](CC(=O)N1CCO[C@@H](C)C1)Cc1ccccc1 ZINC000796640343 937039246 /nfs/dbraw/zinc/03/92/46/937039246.db2.gz QVLKIUOESAMFFE-HNNXBMFYSA-N 1 2 286.375 1.369 20 30 CDEDLO C#CC[N@H+](CC(=O)N1CCO[C@@H](C)C1)Cc1ccccc1 ZINC000796640343 937039248 /nfs/dbraw/zinc/03/92/48/937039248.db2.gz QVLKIUOESAMFFE-HNNXBMFYSA-N 1 2 286.375 1.369 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cncs1 ZINC001085503214 926088448 /nfs/dbraw/zinc/08/84/48/926088448.db2.gz RGFPIDYVXXHHPC-JTQLQIEISA-N 1 2 251.355 1.475 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cncs1 ZINC001085503214 926088454 /nfs/dbraw/zinc/08/84/54/926088454.db2.gz RGFPIDYVXXHHPC-JTQLQIEISA-N 1 2 251.355 1.475 20 30 CDEDLO N#CC1(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC001413799177 937059135 /nfs/dbraw/zinc/05/91/35/937059135.db2.gz VVLLSGUQUOADNF-LLVKDONJSA-N 1 2 273.340 1.191 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001085601109 926196732 /nfs/dbraw/zinc/19/67/32/926196732.db2.gz MMPKZRRNXJVHCP-MJBXVCDLSA-N 1 2 284.375 1.470 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001085601109 926196734 /nfs/dbraw/zinc/19/67/34/926196734.db2.gz MMPKZRRNXJVHCP-MJBXVCDLSA-N 1 2 284.375 1.470 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1ccns1 ZINC001085624161 926224786 /nfs/dbraw/zinc/22/47/86/926224786.db2.gz PVPFQRMKECPJCD-NSHDSACASA-N 1 2 265.382 1.866 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccns1 ZINC001085624161 926224790 /nfs/dbraw/zinc/22/47/90/926224790.db2.gz PVPFQRMKECPJCD-NSHDSACASA-N 1 2 265.382 1.866 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncc(F)cc1F ZINC001085673578 926276270 /nfs/dbraw/zinc/27/62/70/926276270.db2.gz AAUHNEGFTYOQBT-GFCCVEGCSA-N 1 2 293.317 1.529 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ncc(F)cc1F ZINC001085673578 926276280 /nfs/dbraw/zinc/27/62/80/926276280.db2.gz AAUHNEGFTYOQBT-GFCCVEGCSA-N 1 2 293.317 1.529 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(COC)c1 ZINC001085701730 926302294 /nfs/dbraw/zinc/30/22/94/926302294.db2.gz XEAJDPRYQLUZQR-MRXNPFEDSA-N 1 2 286.375 1.613 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(COC)c1 ZINC001085701730 926302303 /nfs/dbraw/zinc/30/23/03/926302303.db2.gz XEAJDPRYQLUZQR-MRXNPFEDSA-N 1 2 286.375 1.613 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC001085706826 926312961 /nfs/dbraw/zinc/31/29/61/926312961.db2.gz XJGYIHHRMXOFTD-HOCLYGCPSA-N 1 2 284.359 1.156 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC001085706826 926312972 /nfs/dbraw/zinc/31/29/72/926312972.db2.gz XJGYIHHRMXOFTD-HOCLYGCPSA-N 1 2 284.359 1.156 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2ccccc2n1C ZINC001085789074 926399102 /nfs/dbraw/zinc/39/91/02/926399102.db2.gz AAEFOGQYWSWMNR-HNNXBMFYSA-N 1 2 295.386 1.958 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2ccccc2n1C ZINC001085789074 926399110 /nfs/dbraw/zinc/39/91/10/926399110.db2.gz AAEFOGQYWSWMNR-HNNXBMFYSA-N 1 2 295.386 1.958 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(C)C)n[nH]1 ZINC001085832623 926431949 /nfs/dbraw/zinc/43/19/49/926431949.db2.gz MBQWJHOZOYRQIA-LBPRGKRZSA-N 1 2 274.368 1.313 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(C)C)n[nH]1 ZINC001085832623 926431953 /nfs/dbraw/zinc/43/19/53/926431953.db2.gz MBQWJHOZOYRQIA-LBPRGKRZSA-N 1 2 274.368 1.313 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1csc(Cl)n1 ZINC001085911896 926498755 /nfs/dbraw/zinc/49/87/55/926498755.db2.gz QSDPKULZCHWWPO-VIFPVBQESA-N 1 2 283.784 1.576 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1csc(Cl)n1 ZINC001085911896 926498762 /nfs/dbraw/zinc/49/87/62/926498762.db2.gz QSDPKULZCHWWPO-VIFPVBQESA-N 1 2 283.784 1.576 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)C(C)C)C1 ZINC001108256396 926866750 /nfs/dbraw/zinc/86/67/50/926866750.db2.gz WKZSCDAQOBFTCO-GDBMZVCRSA-N 1 2 280.412 1.509 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)C(C)C)C1 ZINC001108256396 926866758 /nfs/dbraw/zinc/86/67/58/926866758.db2.gz WKZSCDAQOBFTCO-GDBMZVCRSA-N 1 2 280.412 1.509 20 30 CDEDLO C[N@H+](C1COC1)C1CN(Cc2c(F)ccc(C#N)c2F)C1 ZINC001143173058 937128574 /nfs/dbraw/zinc/12/85/74/937128574.db2.gz MVNJKOFESDSDHM-UHFFFAOYSA-N 1 2 293.317 1.351 20 30 CDEDLO C[N@@H+](C1COC1)C1CN(Cc2c(F)ccc(C#N)c2F)C1 ZINC001143173058 937128576 /nfs/dbraw/zinc/12/85/76/937128576.db2.gz MVNJKOFESDSDHM-UHFFFAOYSA-N 1 2 293.317 1.351 20 30 CDEDLO COC(=O)CC[N@H+](C)Cc1c(F)ccc(C#N)c1F ZINC001143176016 937129048 /nfs/dbraw/zinc/12/90/48/937129048.db2.gz NSKAZAZOXLVUMX-UHFFFAOYSA-N 1 2 268.263 1.831 20 30 CDEDLO COC(=O)CC[N@@H+](C)Cc1c(F)ccc(C#N)c1F ZINC001143176016 937129050 /nfs/dbraw/zinc/12/90/50/937129050.db2.gz NSKAZAZOXLVUMX-UHFFFAOYSA-N 1 2 268.263 1.831 20 30 CDEDLO CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1ncccc1C#N ZINC001103334688 937136971 /nfs/dbraw/zinc/13/69/71/937136971.db2.gz JWELRAZSJIBEFZ-LBPRGKRZSA-N 1 2 298.350 1.226 20 30 CDEDLO N#CC1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168995800 927602427 /nfs/dbraw/zinc/60/24/27/927602427.db2.gz TUECVZJKEIEAQD-GHMZBOCLSA-N 1 2 253.302 1.094 20 30 CDEDLO C=C(C)c1ccc(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)nc1 ZINC001169129410 927745352 /nfs/dbraw/zinc/74/53/52/927745352.db2.gz GWJWSIDJADWXMH-NEPJUHHUSA-N 1 2 261.325 1.430 20 30 CDEDLO Clc1cncc(N=NCc2c[nH+]c3n2CCC3)n1 ZINC000853289917 927997379 /nfs/dbraw/zinc/99/73/79/927997379.db2.gz UUWKNSJGOFMUDZ-UHFFFAOYSA-N 1 2 262.704 1.719 20 30 CDEDLO COc1ccc2nc(N3CC[NH2+]C[C@@H]3C#N)ccc2c1 ZINC001156319720 928035621 /nfs/dbraw/zinc/03/56/21/928035621.db2.gz BWKRQCHWOVEGHT-LBPRGKRZSA-N 1 2 268.320 1.545 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001109208968 928836879 /nfs/dbraw/zinc/83/68/79/928836879.db2.gz IKYUOEAJDYCMLC-UKTARXLSSA-N 1 2 298.814 1.788 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001109208968 928836892 /nfs/dbraw/zinc/83/68/92/928836892.db2.gz IKYUOEAJDYCMLC-UKTARXLSSA-N 1 2 298.814 1.788 20 30 CDEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)cc1 ZINC000783728443 937279331 /nfs/dbraw/zinc/27/93/31/937279331.db2.gz IEGXANZVKPNNPR-OLZOCXBDSA-N 1 2 287.363 1.640 20 30 CDEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC(=O)N(C)C[C@H]2C)cc1 ZINC000783728443 937279334 /nfs/dbraw/zinc/27/93/34/937279334.db2.gz IEGXANZVKPNNPR-OLZOCXBDSA-N 1 2 287.363 1.640 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[C@@H](C)NCC#N)ccn12 ZINC001134376216 929713162 /nfs/dbraw/zinc/71/31/62/929713162.db2.gz JIRWMHGHVZEOLU-VXGBXAGGSA-N 1 2 299.378 1.653 20 30 CDEDLO CC[N@H+](Cc1nc(C)oc1C)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152414257 937360410 /nfs/dbraw/zinc/36/04/10/937360410.db2.gz YFEBNRKOELKWNL-GHMZBOCLSA-N 1 2 292.383 1.778 20 30 CDEDLO CC[N@@H+](Cc1nc(C)oc1C)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152414257 937360412 /nfs/dbraw/zinc/36/04/12/937360412.db2.gz YFEBNRKOELKWNL-GHMZBOCLSA-N 1 2 292.383 1.778 20 30 CDEDLO CN(C)c1ncc(C=[NH+]Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000814694398 929808061 /nfs/dbraw/zinc/80/80/61/929808061.db2.gz INXQDZLBHMUTCR-UHFFFAOYSA-N 1 2 286.295 1.897 20 30 CDEDLO Cc1ccc(NC[C@H](C)[NH+]2CCN(C)CC2)c(C#N)n1 ZINC000881909037 929916231 /nfs/dbraw/zinc/91/62/31/929916231.db2.gz ZZUYNSJYFRMREE-ZDUSSCGKSA-N 1 2 273.384 1.310 20 30 CDEDLO C=CCC[C@@H]([NH2+]Cc1nnc(COC)[nH]1)[C@@H]1CCCO1 ZINC000883234500 930168181 /nfs/dbraw/zinc/16/81/81/930168181.db2.gz GZULQEIVBPBIDG-NEPJUHHUSA-N 1 2 280.372 1.555 20 30 CDEDLO N#C[C@@H]1C[C@H](F)CN1C(=O)c1c[nH]c2cc[nH+]cc21 ZINC001152977449 937404538 /nfs/dbraw/zinc/40/45/38/937404538.db2.gz QGOYRBAQACRSAP-IUCAKERBSA-N 1 2 258.256 1.639 20 30 CDEDLO C=C[C@H]1C[C@]1(Nc1cc[nH+]c(CC)c1)C(=O)OCC ZINC001170926954 930804393 /nfs/dbraw/zinc/80/43/93/930804393.db2.gz GCOPPALHIPKBAL-XHDPSFHLSA-N 1 2 260.337 1.986 20 30 CDEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCC#N ZINC001274031040 931131136 /nfs/dbraw/zinc/13/11/36/931131136.db2.gz FZKMHPQADKWKTF-HNNXBMFYSA-N 1 2 274.368 1.661 20 30 CDEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCC#N ZINC001274031040 931131141 /nfs/dbraw/zinc/13/11/41/931131141.db2.gz FZKMHPQADKWKTF-HNNXBMFYSA-N 1 2 274.368 1.661 20 30 CDEDLO CC(C)n1c[nH+]cc1CN1CCN(C2CC2)[C@H](C#N)C1 ZINC000822442805 931162222 /nfs/dbraw/zinc/16/22/22/931162222.db2.gz IZQZGOMMPSFULT-CQSZACIVSA-N 1 2 273.384 1.636 20 30 CDEDLO C#CCSCC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000887767855 931225045 /nfs/dbraw/zinc/22/50/45/931225045.db2.gz ZNNZAVKGPSEWNU-HNNXBMFYSA-N 1 2 288.416 1.868 20 30 CDEDLO C#CCSCC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000887767855 931225049 /nfs/dbraw/zinc/22/50/49/931225049.db2.gz ZNNZAVKGPSEWNU-HNNXBMFYSA-N 1 2 288.416 1.868 20 30 CDEDLO CCc1cc(C[NH+]2CC3(C2)COCC(=O)N3C)ccc1C#N ZINC001274602027 931519106 /nfs/dbraw/zinc/51/91/06/931519106.db2.gz KUVQRHFXCIUXBJ-UHFFFAOYSA-N 1 2 299.374 1.164 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCCC2)nc1 ZINC001144163132 931676987 /nfs/dbraw/zinc/67/69/87/931676987.db2.gz OJSPQWDWGMAWJM-INIZCTEOSA-N 1 2 298.390 1.930 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)nc1 ZINC001144163132 931676989 /nfs/dbraw/zinc/67/69/89/931676989.db2.gz OJSPQWDWGMAWJM-INIZCTEOSA-N 1 2 298.390 1.930 20 30 CDEDLO CN1CCC12C[NH+](Cc1c[nH]c3c1cccc3C#N)C2 ZINC001275367635 931753416 /nfs/dbraw/zinc/75/34/16/931753416.db2.gz LTBIFINKOUJOSD-UHFFFAOYSA-N 1 2 266.348 1.929 20 30 CDEDLO C[C@H](Cc1cccc(C#N)c1)[NH2+]CC(F)(F)CO ZINC001171190605 931849471 /nfs/dbraw/zinc/84/94/71/931849471.db2.gz WLRJYDJGQZPFOB-SNVBAGLBSA-N 1 2 254.280 1.706 20 30 CDEDLO O=C(/C=C/NC(=O)c1cccc2[nH+]ccn21)C(F)(F)F ZINC001154526349 937553688 /nfs/dbraw/zinc/55/36/88/937553688.db2.gz QAHSQCRGZBUYHA-SNAWJCMRSA-N 1 2 283.209 1.709 20 30 CDEDLO C=CCCC(=O)N1CC2(C1)CC[N@H+](Cc1cnns1)C2 ZINC001147188191 932434339 /nfs/dbraw/zinc/43/43/39/932434339.db2.gz SZHRMIFVEXQMOM-UHFFFAOYSA-N 1 2 292.408 1.539 20 30 CDEDLO C=CCCC(=O)N1CC2(C1)CC[N@@H+](Cc1cnns1)C2 ZINC001147188191 932434343 /nfs/dbraw/zinc/43/43/43/932434343.db2.gz SZHRMIFVEXQMOM-UHFFFAOYSA-N 1 2 292.408 1.539 20 30 CDEDLO COc1c(C)cnc(C[N@H+](C)C[C@H](O)CC#N)c1C ZINC000930616174 933414753 /nfs/dbraw/zinc/41/47/53/933414753.db2.gz WKHGKOZKBFSHSM-GFCCVEGCSA-N 1 2 263.341 1.413 20 30 CDEDLO COc1c(C)cnc(C[N@@H+](C)C[C@H](O)CC#N)c1C ZINC000930616174 933414756 /nfs/dbraw/zinc/41/47/56/933414756.db2.gz WKHGKOZKBFSHSM-GFCCVEGCSA-N 1 2 263.341 1.413 20 30 CDEDLO CC(=O)CC(C)=Nc1ccnc(N2CC[NH+](C)CC2)n1 ZINC001155893186 937685729 /nfs/dbraw/zinc/68/57/29/937685729.db2.gz ZALQUVJCWCDFJK-KHPPLWFESA-N 1 2 275.356 1.133 20 30 CDEDLO C[C@@H]1NC(=O)[C@H](C)[N@H+](CCOc2ccccc2C#N)[C@H]1C ZINC000930832480 933457762 /nfs/dbraw/zinc/45/77/62/933457762.db2.gz JEFOFBTXPZBFKS-AVGNSLFASA-N 1 2 287.363 1.534 20 30 CDEDLO C[C@@H]1NC(=O)[C@H](C)[N@@H+](CCOc2ccccc2C#N)[C@H]1C ZINC000930832480 933457766 /nfs/dbraw/zinc/45/77/66/933457766.db2.gz JEFOFBTXPZBFKS-AVGNSLFASA-N 1 2 287.363 1.534 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933394858 933816835 /nfs/dbraw/zinc/81/68/35/933816835.db2.gz ZZGPEVULHCLERM-HNNXBMFYSA-N 1 2 290.367 1.273 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933394858 933816839 /nfs/dbraw/zinc/81/68/39/933816839.db2.gz ZZGPEVULHCLERM-HNNXBMFYSA-N 1 2 290.367 1.273 20 30 CDEDLO C=CCC1(O)CCN(C(=O)[C@H](C)n2cc[nH+]c2)CC1 ZINC001119669614 937746035 /nfs/dbraw/zinc/74/60/35/937746035.db2.gz RFEAZOYUTSONCZ-LBPRGKRZSA-N 1 2 263.341 1.374 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001114752404 934954749 /nfs/dbraw/zinc/95/47/49/934954749.db2.gz CNWJQQCNOBZWIW-NHAGDIPZSA-N 1 2 275.352 1.577 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001114752404 934954751 /nfs/dbraw/zinc/95/47/51/934954751.db2.gz CNWJQQCNOBZWIW-NHAGDIPZSA-N 1 2 275.352 1.577 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCCC[C@H]1C[NH2+]Cc1cnsn1 ZINC000959920825 935128649 /nfs/dbraw/zinc/12/86/49/935128649.db2.gz SSIYINDWDKLEKP-JQWIXIFHSA-N 1 2 293.396 1.168 20 30 CDEDLO C=C[C@@H](O)C[NH2+][C@H](C(=O)OC(C)(C)C)[C@@H](C)CC ZINC001253603606 935339660 /nfs/dbraw/zinc/33/96/60/935339660.db2.gz YSHTWIAITUNTEH-TUAOUCFPSA-N 1 2 257.374 1.879 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC001008997343 935417509 /nfs/dbraw/zinc/41/75/09/935417509.db2.gz WXVJOSXRBUKIMN-OCCSQVGLSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC001008997343 935417512 /nfs/dbraw/zinc/41/75/12/935417512.db2.gz WXVJOSXRBUKIMN-OCCSQVGLSA-N 1 2 286.803 1.746 20 30 CDEDLO C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001009485170 935425536 /nfs/dbraw/zinc/42/55/36/935425536.db2.gz DEYGJHFUXYSJSU-CYBMUJFWSA-N 1 2 297.362 1.175 20 30 CDEDLO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001009485170 935425537 /nfs/dbraw/zinc/42/55/37/935425537.db2.gz DEYGJHFUXYSJSU-CYBMUJFWSA-N 1 2 297.362 1.175 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1nc(C)n2ccccc12 ZINC001038517933 935747749 /nfs/dbraw/zinc/74/77/49/935747749.db2.gz GBCYERLNCIKSGH-ZDUSSCGKSA-N 1 2 282.347 1.080 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1nc(C)n2ccccc12 ZINC001038517933 935747750 /nfs/dbraw/zinc/74/77/50/935747750.db2.gz GBCYERLNCIKSGH-ZDUSSCGKSA-N 1 2 282.347 1.080 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)cc(F)c1 ZINC001038733472 935754993 /nfs/dbraw/zinc/75/49/93/935754993.db2.gz QAQHUXOAGGCAIK-OAHLLOKOSA-N 1 2 274.339 1.962 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)cc(F)c1 ZINC001038733472 935754994 /nfs/dbraw/zinc/75/49/94/935754994.db2.gz QAQHUXOAGGCAIK-OAHLLOKOSA-N 1 2 274.339 1.962 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(C)C)no1 ZINC001038769611 935757379 /nfs/dbraw/zinc/75/73/79/935757379.db2.gz YQCTZFTVSVLFEF-NSHDSACASA-N 1 2 263.341 1.788 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(C)C)no1 ZINC001038769611 935757381 /nfs/dbraw/zinc/75/73/81/935757381.db2.gz YQCTZFTVSVLFEF-NSHDSACASA-N 1 2 263.341 1.788 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]c(C)nc2c1 ZINC001038869852 935759761 /nfs/dbraw/zinc/75/97/61/935759761.db2.gz WIFYMMUOKSYICL-CQSZACIVSA-N 1 2 296.374 1.699 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]c(C)nc2c1 ZINC001038869852 935759763 /nfs/dbraw/zinc/75/97/63/935759763.db2.gz WIFYMMUOKSYICL-CQSZACIVSA-N 1 2 296.374 1.699 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ncsc1C(C)C ZINC001038909040 935761879 /nfs/dbraw/zinc/76/18/79/935761879.db2.gz PDCIZMJZEYVKDF-NSHDSACASA-N 1 2 277.393 1.704 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncsc1C(C)C ZINC001038909040 935761882 /nfs/dbraw/zinc/76/18/82/935761882.db2.gz PDCIZMJZEYVKDF-NSHDSACASA-N 1 2 277.393 1.704 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(C(C)(C)C)nc1 ZINC001039089483 935768501 /nfs/dbraw/zinc/76/85/01/935768501.db2.gz ZJGXNUGNIPUAKF-CYBMUJFWSA-N 1 2 286.379 1.211 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(C(C)(C)C)nc1 ZINC001039089483 935768505 /nfs/dbraw/zinc/76/85/05/935768505.db2.gz ZJGXNUGNIPUAKF-CYBMUJFWSA-N 1 2 286.379 1.211 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c[nH]c3cccnc23)C1 ZINC001044184753 935853563 /nfs/dbraw/zinc/85/35/63/935853563.db2.gz MAWASDNONBHBGI-UHFFFAOYSA-N 1 2 284.363 1.895 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H](C)n2c(C)ccc2C)C1 ZINC001044335932 935857848 /nfs/dbraw/zinc/85/78/48/935857848.db2.gz RGHSFBFBSSEUNH-HNNXBMFYSA-N 1 2 287.407 1.832 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000800362840 935899825 /nfs/dbraw/zinc/89/98/25/935899825.db2.gz UWSGRCUCPQWDEQ-GFCCVEGCSA-N 1 2 269.341 1.189 20 30 CDEDLO Cc1cc(C)c(CNS(=O)(=O)CC2(C#N)CC2)c[nH+]1 ZINC001413374129 936001693 /nfs/dbraw/zinc/00/16/93/936001693.db2.gz FZWBPQMEWIXFPY-UHFFFAOYSA-N 1 2 279.365 1.422 20 30 CDEDLO C[C@@H](C#N)OCC[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000801931992 936016645 /nfs/dbraw/zinc/01/66/45/936016645.db2.gz SPNZPDRJKDJNEA-JTQLQIEISA-N 1 2 297.305 1.764 20 30 CDEDLO C[C@@H](C#N)OCC[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000801931992 936016648 /nfs/dbraw/zinc/01/66/48/936016648.db2.gz SPNZPDRJKDJNEA-JTQLQIEISA-N 1 2 297.305 1.764 20 30 CDEDLO COC(=O)C[N@H+](CCO[C@H](C)C#N)CCc1ccccc1 ZINC000801938966 936017348 /nfs/dbraw/zinc/01/73/48/936017348.db2.gz MASXAUQVSBCUQS-CQSZACIVSA-N 1 2 290.363 1.633 20 30 CDEDLO COC(=O)C[N@@H+](CCO[C@H](C)C#N)CCc1ccccc1 ZINC000801938966 936017349 /nfs/dbraw/zinc/01/73/49/936017349.db2.gz MASXAUQVSBCUQS-CQSZACIVSA-N 1 2 290.363 1.633 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CN(C(=O)C(F)C(F)(F)F)C[C@H]2C1 ZINC001048831513 936081635 /nfs/dbraw/zinc/08/16/35/936081635.db2.gz RYXJNIMNCAXDFZ-AEJSXWLSSA-N 1 2 280.265 1.463 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CN(C(=O)C(F)C(F)(F)F)C[C@H]2C1 ZINC001048831513 936081639 /nfs/dbraw/zinc/08/16/39/936081639.db2.gz RYXJNIMNCAXDFZ-AEJSXWLSSA-N 1 2 280.265 1.463 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]2C1 ZINC001048831513 936081643 /nfs/dbraw/zinc/08/16/43/936081643.db2.gz RYXJNIMNCAXDFZ-AEJSXWLSSA-N 1 2 280.265 1.463 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]2C1 ZINC001048831513 936081647 /nfs/dbraw/zinc/08/16/47/936081647.db2.gz RYXJNIMNCAXDFZ-AEJSXWLSSA-N 1 2 280.265 1.463 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)SC)n2CC)CC1 ZINC001121823362 937884089 /nfs/dbraw/zinc/88/40/89/937884089.db2.gz XJQKOAQKSJSCQZ-GFCCVEGCSA-N 1 2 293.440 1.477 20 30 CDEDLO Cc1c[nH+]c(NCCNC(=O)c2ccncc2)c(/C=N/O)c1 ZINC001156030390 938312051 /nfs/dbraw/zinc/31/20/51/938312051.db2.gz SDXBKZRACFULDZ-KEBDBYFISA-N 1 2 299.334 1.435 20 30 CDEDLO N#CCc1cncc(NCCc2cn3ccccc3[nH+]2)n1 ZINC001158145819 938587399 /nfs/dbraw/zinc/58/73/99/938587399.db2.gz WYZVRPYVRRBWQJ-UHFFFAOYSA-N 1 2 278.319 1.845 20 30 CDEDLO C#CCCN1CCC[C@H](Nc2nc(C)[nH+]c(C)c2C)C1=O ZINC001160900487 938841044 /nfs/dbraw/zinc/84/10/44/938841044.db2.gz GBBMCPJATKYWOJ-AWEZNQCLSA-N 1 2 286.379 1.828 20 30 CDEDLO N#Cc1nc(Cl)cnc1NC1CN(c2cccc[nH+]2)C1 ZINC001161319068 938888420 /nfs/dbraw/zinc/88/84/20/938888420.db2.gz JDYDEGSENHAOQU-UHFFFAOYSA-N 1 2 286.726 1.697 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2ccc3nc(C#N)ccc3c2)C[NH2+]1 ZINC001164312019 939451873 /nfs/dbraw/zinc/45/18/73/939451873.db2.gz JOWBQKNCFJGYRO-ZFWWWQNUSA-N 1 2 296.330 1.422 20 30 CDEDLO Cc1cc(Cl)c(C)c(N2CC[NH2+]C[C@H]2C#N)n1 ZINC001164651455 939501844 /nfs/dbraw/zinc/50/18/44/939501844.db2.gz HWUMTWJMEBOUQP-SNVBAGLBSA-N 1 2 250.733 1.654 20 30 CDEDLO Cc1[nH+]c(N2CC[C@H](S(C)(=O)=O)C2)ccc1CC#N ZINC001166712563 939630643 /nfs/dbraw/zinc/63/06/43/939630643.db2.gz WBAOHOZBYGNGQG-LBPRGKRZSA-N 1 2 279.365 1.079 20 30 CDEDLO Cc1cc(-c2noc([C@]3([NH3+])CCOC3)n2)ccc1C#N ZINC001205226971 939839133 /nfs/dbraw/zinc/83/91/33/939839133.db2.gz BNRJIOGVAZTEGV-AWEZNQCLSA-N 1 2 270.292 1.491 20 30 CDEDLO C=CCCC(=O)N1CCC[C@H]([NH2+][C@H](C)c2nc(C)no2)C1 ZINC001207628913 940223537 /nfs/dbraw/zinc/22/35/37/940223537.db2.gz MLAQWXRJUPSZMD-YPMHNXCESA-N 1 2 292.383 1.986 20 30 CDEDLO CC(C)(C)OC(=O)N1CC[C@H]1C[N@@H+]1CC[C@@H](C#N)C1 ZINC001208998147 940420545 /nfs/dbraw/zinc/42/05/45/940420545.db2.gz ITFINVXDUDERAH-RYUDHWBXSA-N 1 2 265.357 1.841 20 30 CDEDLO CC(C)(C)OC(=O)N1CC[C@H]1C[N@H+]1CC[C@@H](C#N)C1 ZINC001208998147 940420548 /nfs/dbraw/zinc/42/05/48/940420548.db2.gz ITFINVXDUDERAH-RYUDHWBXSA-N 1 2 265.357 1.841 20 30 CDEDLO N#Cc1cc(Nc2[nH+]cccc2CCO)ccc1O ZINC001210529206 940697159 /nfs/dbraw/zinc/69/71/59/940697159.db2.gz BEKWHGUOXVJGOM-UHFFFAOYSA-N 1 2 255.277 1.937 20 30 CDEDLO C#Cc1cc(Nc2ccc(OCOC)nc2)cc[nH+]1 ZINC001215660880 940901492 /nfs/dbraw/zinc/90/14/92/940901492.db2.gz DGSSBAHBMCHZBF-UHFFFAOYSA-N 1 2 255.277 1.606 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001220280886 941432196 /nfs/dbraw/zinc/43/21/96/941432196.db2.gz XKQSQLPJXCLWND-QLSWNYBOSA-N 1 2 286.803 1.503 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001220280886 941432199 /nfs/dbraw/zinc/43/21/99/941432199.db2.gz XKQSQLPJXCLWND-QLSWNYBOSA-N 1 2 286.803 1.503 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(F)c(C#N)c(F)c1 ZINC001362085039 970864576 /nfs/dbraw/zinc/86/45/76/970864576.db2.gz GUVMJFGXFPQCFY-VIFPVBQESA-N 1 2 290.273 1.851 20 30 CDEDLO Cc1[nH]ncc1C[N@@H+]1C[C@H]2C[C@@]2(C(=O)NC2(C#N)CCC2)C1 ZINC001277230100 942200005 /nfs/dbraw/zinc/20/00/05/942200005.db2.gz BOXMKHLWDDNSII-CZUORRHYSA-N 1 2 299.378 1.103 20 30 CDEDLO Cc1[nH]ncc1C[N@H+]1C[C@H]2C[C@@]2(C(=O)NC2(C#N)CCC2)C1 ZINC001277230100 942200007 /nfs/dbraw/zinc/20/00/07/942200007.db2.gz BOXMKHLWDDNSII-CZUORRHYSA-N 1 2 299.378 1.103 20 30 CDEDLO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cnc1F ZINC001228582099 942338222 /nfs/dbraw/zinc/33/82/22/942338222.db2.gz DVCSDGSPTHMEPE-DERRMCRCSA-N 1 2 264.300 1.520 20 30 CDEDLO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cnc1F ZINC001228582099 942338227 /nfs/dbraw/zinc/33/82/27/942338227.db2.gz DVCSDGSPTHMEPE-DERRMCRCSA-N 1 2 264.300 1.520 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2ncnc3ccc(C#N)cc32)C1 ZINC001229103829 942419907 /nfs/dbraw/zinc/41/99/07/942419907.db2.gz IBPRMJDCFHPRHT-LBPRGKRZSA-N 1 2 284.319 1.211 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2ncnc3ccc(C#N)cc32)C1 ZINC001229103829 942419909 /nfs/dbraw/zinc/41/99/09/942419909.db2.gz IBPRMJDCFHPRHT-LBPRGKRZSA-N 1 2 284.319 1.211 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001316601526 942420081 /nfs/dbraw/zinc/42/00/81/942420081.db2.gz OVETWMYHXYERHV-DZGCQCFKSA-N 1 2 286.391 1.717 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001316601526 942420087 /nfs/dbraw/zinc/42/00/87/942420087.db2.gz OVETWMYHXYERHV-DZGCQCFKSA-N 1 2 286.391 1.717 20 30 CDEDLO C=CCC(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001316604299 942462680 /nfs/dbraw/zinc/46/26/80/942462680.db2.gz SKIOFEOZMVREDQ-OAHLLOKOSA-N 1 2 292.423 1.771 20 30 CDEDLO C=CCC(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001316604299 942462681 /nfs/dbraw/zinc/46/26/81/942462681.db2.gz SKIOFEOZMVREDQ-OAHLLOKOSA-N 1 2 292.423 1.771 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCCC ZINC001230795672 942699117 /nfs/dbraw/zinc/69/91/17/942699117.db2.gz RJQPWKPCGMUQJK-ZDUSSCGKSA-N 1 2 281.400 1.012 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC ZINC001230795672 942699120 /nfs/dbraw/zinc/69/91/20/942699120.db2.gz RJQPWKPCGMUQJK-ZDUSSCGKSA-N 1 2 281.400 1.012 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CSCCC ZINC001230948852 942740235 /nfs/dbraw/zinc/74/02/35/942740235.db2.gz QSVFMHRMCNBHSF-CYBMUJFWSA-N 1 2 268.426 1.686 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CSCCC ZINC001230948852 942740238 /nfs/dbraw/zinc/74/02/38/942740238.db2.gz QSVFMHRMCNBHSF-CYBMUJFWSA-N 1 2 268.426 1.686 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)C[C@@H]1CC[N@@H+]1C/C=C\Cl ZINC001231293657 942848028 /nfs/dbraw/zinc/84/80/28/942848028.db2.gz PGMZVAPGQFWGNJ-ZSZRGSJWSA-N 1 2 255.749 1.431 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)C[C@@H]1CC[N@H+]1C/C=C\Cl ZINC001231293657 942848031 /nfs/dbraw/zinc/84/80/31/942848031.db2.gz PGMZVAPGQFWGNJ-ZSZRGSJWSA-N 1 2 255.749 1.431 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccc(N(C)C)cc1OC ZINC001231857722 943025574 /nfs/dbraw/zinc/02/55/74/943025574.db2.gz NYLANXWPYIVGEY-UHFFFAOYSA-N 1 2 256.349 1.830 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cccnc2OCCC)CC1 ZINC001231864387 943037138 /nfs/dbraw/zinc/03/71/38/943037138.db2.gz OQXSPXUPZLYPSO-UHFFFAOYSA-N 1 2 273.380 1.621 20 30 CDEDLO N#Cc1ccnc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC001232477906 943290764 /nfs/dbraw/zinc/29/07/64/943290764.db2.gz PKYHSVRFNXOSLS-NSHDSACASA-N 1 2 271.242 1.452 20 30 CDEDLO N#Cc1ccnc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC001232477906 943290771 /nfs/dbraw/zinc/29/07/71/943290771.db2.gz PKYHSVRFNXOSLS-NSHDSACASA-N 1 2 271.242 1.452 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2O)CC[C@@]1(C)O ZINC001232674217 943357687 /nfs/dbraw/zinc/35/76/87/943357687.db2.gz SYVJORSZJRSHNJ-IAQYHMDHSA-N 1 2 260.337 1.857 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2O)CC[C@@]1(C)O ZINC001232674217 943357692 /nfs/dbraw/zinc/35/76/92/943357692.db2.gz SYVJORSZJRSHNJ-IAQYHMDHSA-N 1 2 260.337 1.857 20 30 CDEDLO C[N@H+](C1CC1)[C@H]1CCN(Cc2cc(C#N)ccc2O)C1 ZINC001232678057 943360193 /nfs/dbraw/zinc/36/01/93/943360193.db2.gz PADIANMMWNFRHQ-HNNXBMFYSA-N 1 2 271.364 1.932 20 30 CDEDLO C[N@@H+](C1CC1)[C@H]1CCN(Cc2cc(C#N)ccc2O)C1 ZINC001232678057 943360200 /nfs/dbraw/zinc/36/02/00/943360200.db2.gz PADIANMMWNFRHQ-HNNXBMFYSA-N 1 2 271.364 1.932 20 30 CDEDLO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232679093 943363565 /nfs/dbraw/zinc/36/35/65/943363565.db2.gz ZYRPOMJMWNCAGO-FZMZJTMJSA-N 1 2 288.347 1.895 20 30 CDEDLO COC(=O)[C@H]1C[C@H](C)C[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232679093 943363568 /nfs/dbraw/zinc/36/35/68/943363568.db2.gz ZYRPOMJMWNCAGO-FZMZJTMJSA-N 1 2 288.347 1.895 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN([C@@H]3CCOC3)CC2)c(O)c1 ZINC001233383332 943570091 /nfs/dbraw/zinc/57/00/91/943570091.db2.gz DUALKDPIYWZMHQ-OAHLLOKOSA-N 1 2 287.363 1.170 20 30 CDEDLO N#Cc1ccc(CN2CC[NH+]([C@@H]3CCOC3)CC2)c(O)c1 ZINC001233383332 943570096 /nfs/dbraw/zinc/57/00/96/943570096.db2.gz DUALKDPIYWZMHQ-OAHLLOKOSA-N 1 2 287.363 1.170 20 30 CDEDLO C#CCN(C)c1nnc([C@@H]2CCCC[N@@H+]2C)n1CC ZINC001263055870 943726983 /nfs/dbraw/zinc/72/69/83/943726983.db2.gz LSBGQCWBFWNZOO-LBPRGKRZSA-N 1 2 261.373 1.524 20 30 CDEDLO C#CCN(C)c1nnc([C@@H]2CCCC[N@H+]2C)n1CC ZINC001263055870 943726985 /nfs/dbraw/zinc/72/69/85/943726985.db2.gz LSBGQCWBFWNZOO-LBPRGKRZSA-N 1 2 261.373 1.524 20 30 CDEDLO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC ZINC001234509395 943873146 /nfs/dbraw/zinc/87/31/46/943873146.db2.gz LNDCXAUDWRZDSW-CQSZACIVSA-N 1 2 293.411 1.034 20 30 CDEDLO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC ZINC001234509395 943873154 /nfs/dbraw/zinc/87/31/54/943873154.db2.gz LNDCXAUDWRZDSW-CQSZACIVSA-N 1 2 293.411 1.034 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001234536785 943882465 /nfs/dbraw/zinc/88/24/65/943882465.db2.gz HBQRBZCMHAPGPU-QWHCGFSZSA-N 1 2 293.411 1.010 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001234536785 943882469 /nfs/dbraw/zinc/88/24/69/943882469.db2.gz HBQRBZCMHAPGPU-QWHCGFSZSA-N 1 2 293.411 1.010 20 30 CDEDLO COC(=O)c1ccnc(C[NH+]2CCC(C)(C#N)CC2)c1 ZINC001235209607 944091429 /nfs/dbraw/zinc/09/14/29/944091429.db2.gz KCAQADSBIOFCPH-UHFFFAOYSA-N 1 2 273.336 1.994 20 30 CDEDLO COCCOCN1CC[C@@]2(C1)CCC[N@H+](CCC#N)C2 ZINC001277938673 944130191 /nfs/dbraw/zinc/13/01/91/944130191.db2.gz DBKBDVBSSSZUJQ-HNNXBMFYSA-N 1 2 281.400 1.308 20 30 CDEDLO COCCOCN1CC[C@@]2(C1)CCC[N@@H+](CCC#N)C2 ZINC001277938673 944130194 /nfs/dbraw/zinc/13/01/94/944130194.db2.gz DBKBDVBSSSZUJQ-HNNXBMFYSA-N 1 2 281.400 1.308 20 30 CDEDLO CCOc1cc(O)cc(C[NH+]2CCN(CCC#N)CC2)c1 ZINC001235398240 944141928 /nfs/dbraw/zinc/14/19/28/944141928.db2.gz NGEQABOKBIIFRT-UHFFFAOYSA-N 1 2 289.379 1.822 20 30 CDEDLO N#CCCC[N@H+]1C[C@H]2CN(Cc3ccc[nH]3)C[C@@H](C1)O2 ZINC001277943581 944150390 /nfs/dbraw/zinc/15/03/90/944150390.db2.gz ZKYREYMQIIEGFH-GASCZTMLSA-N 1 2 274.368 1.203 20 30 CDEDLO N#CCCC[N@@H+]1C[C@H]2CN(Cc3ccc[nH]3)C[C@@H](C1)O2 ZINC001277943581 944150393 /nfs/dbraw/zinc/15/03/93/944150393.db2.gz ZKYREYMQIIEGFH-GASCZTMLSA-N 1 2 274.368 1.203 20 30 CDEDLO Cn1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3CCCCC#N)cc1C#N ZINC001277948680 944173397 /nfs/dbraw/zinc/17/33/97/944173397.db2.gz MFTWSLPFTKYCAH-CALCHBBNSA-N 1 2 297.406 1.849 20 30 CDEDLO Cn1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3CCCCC#N)cc1C#N ZINC001277948680 944173403 /nfs/dbraw/zinc/17/34/03/944173403.db2.gz MFTWSLPFTKYCAH-CALCHBBNSA-N 1 2 297.406 1.849 20 30 CDEDLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccccc1CC#N ZINC001235530216 944190248 /nfs/dbraw/zinc/19/02/48/944190248.db2.gz STSMCBNZMFLVFI-LBPRGKRZSA-N 1 2 257.337 1.415 20 30 CDEDLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccccc1CC#N ZINC001235530216 944190250 /nfs/dbraw/zinc/19/02/50/944190250.db2.gz STSMCBNZMFLVFI-LBPRGKRZSA-N 1 2 257.337 1.415 20 30 CDEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2c[nH]nc2CC)CC1 ZINC001237651899 944908778 /nfs/dbraw/zinc/90/87/78/944908778.db2.gz AZLWPOUCTFNOSL-UHFFFAOYSA-N 1 2 290.367 1.641 20 30 CDEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2c[nH]ccc2=O)CC1 ZINC001237850371 944985220 /nfs/dbraw/zinc/98/52/20/944985220.db2.gz ZBZUQWAAHGSRRW-UHFFFAOYSA-N 1 2 289.335 1.044 20 30 CDEDLO C[N@H+](C1COC1)C1CN(Cc2ccc(C#N)cc2Cl)C1 ZINC001238086970 945054415 /nfs/dbraw/zinc/05/44/15/945054415.db2.gz RYLDBJWKXNCASH-UHFFFAOYSA-N 1 2 291.782 1.726 20 30 CDEDLO C[N@@H+](C1COC1)C1CN(Cc2ccc(C#N)cc2Cl)C1 ZINC001238086970 945054422 /nfs/dbraw/zinc/05/44/22/945054422.db2.gz RYLDBJWKXNCASH-UHFFFAOYSA-N 1 2 291.782 1.726 20 30 CDEDLO C=CCC[C@H](C)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001258721239 945394235 /nfs/dbraw/zinc/39/42/35/945394235.db2.gz QICXZEWKJUPDRA-WCQYABFASA-N 1 2 265.357 1.449 20 30 CDEDLO N#Cc1cc(-c2ccc(C[NH+]3CCOCC3)nc2)ccn1 ZINC001239582573 945507813 /nfs/dbraw/zinc/50/78/13/945507813.db2.gz AWNLZQXEWJCLIZ-UHFFFAOYSA-N 1 2 280.331 1.847 20 30 CDEDLO N#Cc1ncncc1-c1ccccc1C[NH+]1CCOCC1 ZINC001241989013 946547858 /nfs/dbraw/zinc/54/78/58/946547858.db2.gz VADAEIWUEPRYLU-UHFFFAOYSA-N 1 2 280.331 1.847 20 30 CDEDLO COC(=O)[C@@H]([NH3+])c1ccc(-c2ccc(C#N)cc2N)cc1 ZINC001244091468 947313093 /nfs/dbraw/zinc/31/30/93/947313093.db2.gz WUQCADYNAGNGGA-HNNXBMFYSA-N 1 2 281.315 1.980 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1C1CCc2ccccc2CC1 ZINC001254457911 947450695 /nfs/dbraw/zinc/45/06/95/947450695.db2.gz KTXGOGKYQGOOGU-INIZCTEOSA-N 1 2 255.365 1.731 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(OC2COC2)ccn1 ZINC001255156580 947758561 /nfs/dbraw/zinc/75/85/61/947758561.db2.gz QJPBHJIFUOPYRA-NSHDSACASA-N 1 2 261.325 1.641 20 30 CDEDLO CC[C@H](CC#N)[NH2+][C@@H](CO)c1ccc(C(=O)OC)cc1 ZINC001255165057 947759786 /nfs/dbraw/zinc/75/97/86/947759786.db2.gz SWTINPIUOVTRQD-KGLIPLIRSA-N 1 2 276.336 1.788 20 30 CDEDLO N#Cc1ccn2ncc(C[N@H+]3C[C@H](F)C[C@H](CO)C3)c2c1 ZINC001249082425 949366021 /nfs/dbraw/zinc/36/60/21/949366021.db2.gz SIVPXYGIHVSOJX-GXTWGEPZSA-N 1 2 288.326 1.358 20 30 CDEDLO N#Cc1ccn2ncc(C[N@@H+]3C[C@H](F)C[C@H](CO)C3)c2c1 ZINC001249082425 949366044 /nfs/dbraw/zinc/36/60/44/949366044.db2.gz SIVPXYGIHVSOJX-GXTWGEPZSA-N 1 2 288.326 1.358 20 30 CDEDLO C#Cc1cc(Nc2c(F)ccc(CO)c2F)cc[nH+]1 ZINC001250251540 950060851 /nfs/dbraw/zinc/06/08/51/950060851.db2.gz DZAUSAHPGYLIAB-UHFFFAOYSA-N 1 2 260.243 1.999 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCc2ccc(OCC)cc2C1 ZINC001251359750 950693336 /nfs/dbraw/zinc/69/33/36/950693336.db2.gz ZVLNXZBBKZYJCD-UHFFFAOYSA-N 1 2 274.364 1.746 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCc2ccc(OCC)cc2C1 ZINC001251359750 950693347 /nfs/dbraw/zinc/69/33/47/950693347.db2.gz ZVLNXZBBKZYJCD-UHFFFAOYSA-N 1 2 274.364 1.746 20 30 CDEDLO C=CCOC[C@H](O)C[NH+]1CC(Oc2ccccc2)C1 ZINC001252464835 951309783 /nfs/dbraw/zinc/30/97/83/951309783.db2.gz AXPDEJAFTZLXMP-CYBMUJFWSA-N 1 2 263.337 1.313 20 30 CDEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+]CC1(O)CCOCC1 ZINC001252972873 951727382 /nfs/dbraw/zinc/72/73/82/951727382.db2.gz FBFQKFUZLAROAK-ZDUSSCGKSA-N 1 2 285.384 1.261 20 30 CDEDLO C=C[C@@H](COC)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001325493776 953930077 /nfs/dbraw/zinc/93/00/77/953930077.db2.gz VAGNQVRIUISNHC-ZDUSSCGKSA-N 1 2 263.341 1.699 20 30 CDEDLO C=C[C@@H](COC)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001326733187 954516535 /nfs/dbraw/zinc/51/65/35/954516535.db2.gz CPXFJDUTVDITGN-GXTWGEPZSA-N 1 2 291.351 1.445 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC001364444112 954620701 /nfs/dbraw/zinc/62/07/01/954620701.db2.gz LSGDTWNESYDNAP-RKDXNWHRSA-N 1 2 287.323 1.487 20 30 CDEDLO C=CC[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(=O)OCC ZINC001327095971 954701190 /nfs/dbraw/zinc/70/11/90/954701190.db2.gz FXUKOSWWVSKWTL-JQWIXIFHSA-N 1 2 279.340 1.212 20 30 CDEDLO C=CC[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(=O)OCC ZINC001327095971 954701193 /nfs/dbraw/zinc/70/11/93/954701193.db2.gz FXUKOSWWVSKWTL-JQWIXIFHSA-N 1 2 279.340 1.212 20 30 CDEDLO C=CC[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(=O)OCC ZINC001327095976 954701319 /nfs/dbraw/zinc/70/13/19/954701319.db2.gz FXUKOSWWVSKWTL-ZYHUDNBSSA-N 1 2 279.340 1.212 20 30 CDEDLO C=CC[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(=O)OCC ZINC001327095976 954701325 /nfs/dbraw/zinc/70/13/25/954701325.db2.gz FXUKOSWWVSKWTL-ZYHUDNBSSA-N 1 2 279.340 1.212 20 30 CDEDLO CCOC(=O)C[N@H+](C[C@H](O)c1cccc(C#N)c1)C(C)C ZINC001365269018 955795325 /nfs/dbraw/zinc/79/53/25/955795325.db2.gz OAVDJLBUIHUKTG-HNNXBMFYSA-N 1 2 290.363 1.865 20 30 CDEDLO CCOC(=O)C[N@@H+](C[C@H](O)c1cccc(C#N)c1)C(C)C ZINC001365269018 955795336 /nfs/dbraw/zinc/79/53/36/955795336.db2.gz OAVDJLBUIHUKTG-HNNXBMFYSA-N 1 2 290.363 1.865 20 30 CDEDLO N#Cc1cccc([C@H](O)C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)c1 ZINC001365274088 955809316 /nfs/dbraw/zinc/80/93/16/955809316.db2.gz DZEWXKYYYARLMN-ARFHVFGLSA-N 1 2 299.374 1.335 20 30 CDEDLO N#Cc1cccc([C@H](O)C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)c1 ZINC001365274088 955809326 /nfs/dbraw/zinc/80/93/26/955809326.db2.gz DZEWXKYYYARLMN-ARFHVFGLSA-N 1 2 299.374 1.335 20 30 CDEDLO CC[C@H](F)C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001492372952 955836438 /nfs/dbraw/zinc/83/64/38/955836438.db2.gz SUSJGRXWOKNVDO-ZDUSSCGKSA-N 1 2 295.333 1.993 20 30 CDEDLO CC[C@H](F)C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001492372952 955836445 /nfs/dbraw/zinc/83/64/45/955836445.db2.gz SUSJGRXWOKNVDO-ZDUSSCGKSA-N 1 2 295.333 1.993 20 30 CDEDLO Cc1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1C#N ZINC001303417377 956081453 /nfs/dbraw/zinc/08/14/53/956081453.db2.gz ACAJMDRDBGDTRE-UHFFFAOYSA-N 1 2 254.293 1.449 20 30 CDEDLO CC(C)c1[nH]cc(CNS(=O)(=O)CCCCC#N)[nH+]1 ZINC001309894460 956659440 /nfs/dbraw/zinc/65/94/40/956659440.db2.gz XRBAGIPWPGLYFE-UHFFFAOYSA-N 1 2 284.385 1.646 20 30 CDEDLO CC(C)c1[nH]c(CNS(=O)(=O)CCCCC#N)c[nH+]1 ZINC001309894460 956659448 /nfs/dbraw/zinc/65/94/48/956659448.db2.gz XRBAGIPWPGLYFE-UHFFFAOYSA-N 1 2 284.385 1.646 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)COC)C1 ZINC001367009303 957333475 /nfs/dbraw/zinc/33/34/75/957333475.db2.gz RNUDGNZAWHODHA-NSHDSACASA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)COC)C1 ZINC001367009303 957333487 /nfs/dbraw/zinc/33/34/87/957333487.db2.gz RNUDGNZAWHODHA-NSHDSACASA-N 1 2 274.792 1.602 20 30 CDEDLO C=CCN(CC(=O)OCC)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001320076330 958922935 /nfs/dbraw/zinc/92/29/35/958922935.db2.gz KIJXDSUMRMCVCY-NSHDSACASA-N 1 2 265.313 1.022 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)COC)C1 ZINC001419110020 961385241 /nfs/dbraw/zinc/38/52/41/961385241.db2.gz GNEIJXFUISKYSZ-GFCCVEGCSA-N 1 2 288.819 1.944 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)COC)C1 ZINC001419110020 961385265 /nfs/dbraw/zinc/38/52/65/961385265.db2.gz GNEIJXFUISKYSZ-GFCCVEGCSA-N 1 2 288.819 1.944 20 30 CDEDLO C[C@H](c1nc(-c2nc[nH]n2)no1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001434479255 961491694 /nfs/dbraw/zinc/49/16/94/961491694.db2.gz SIGMWEFMVGHGQT-ZJUUUORDSA-N 1 2 287.327 1.541 20 30 CDEDLO C[C@H](c1nc(-c2nc[nH]n2)no1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC001434479255 961491710 /nfs/dbraw/zinc/49/17/10/961491710.db2.gz SIGMWEFMVGHGQT-ZJUUUORDSA-N 1 2 287.327 1.541 20 30 CDEDLO Cc1cc(NC(=O)Cc2c[nH]c[nH+]2)n(CCC#N)n1 ZINC001339054501 962141867 /nfs/dbraw/zinc/14/18/67/962141867.db2.gz SFDDWRKTZYZWIU-UHFFFAOYSA-N 1 2 258.285 1.010 20 30 CDEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)C[C@H](C)C#N ZINC001339212420 962248490 /nfs/dbraw/zinc/24/84/90/962248490.db2.gz VHDIFGOHKNJLCN-GFCCVEGCSA-N 1 2 299.382 1.384 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCCn2cccn2)C1 ZINC001438161591 963348807 /nfs/dbraw/zinc/34/88/07/963348807.db2.gz NRCWXGNQOMRVDZ-UHFFFAOYSA-N 1 2 296.802 1.464 20 30 CDEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCCC1 ZINC001342542319 963760629 /nfs/dbraw/zinc/76/06/29/963760629.db2.gz NTVBCGOJVIZJFJ-UHFFFAOYSA-N 1 2 286.383 1.779 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(Cc1ccc(C)o1)OC ZINC001350620435 966716065 /nfs/dbraw/zinc/71/60/65/966716065.db2.gz SAYNCJHQOHHKJS-AWEZNQCLSA-N 1 2 276.336 1.576 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(Cc1ccc(C)o1)OC ZINC001350620435 966716066 /nfs/dbraw/zinc/71/60/66/966716066.db2.gz SAYNCJHQOHHKJS-AWEZNQCLSA-N 1 2 276.336 1.576 20 30 CDEDLO N#CCn1cc(NC(=O)c2cccc3[nH+]ccn32)cn1 ZINC001542388034 967226464 /nfs/dbraw/zinc/22/64/64/967226464.db2.gz KLROIRXNIQWOLL-UHFFFAOYSA-N 1 2 266.264 1.307 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)NCc3ccc(C#N)cn3)ccn12 ZINC001527852133 968740283 /nfs/dbraw/zinc/74/02/83/968740283.db2.gz JQBYQGUTZOQBOM-UHFFFAOYSA-N 1 2 291.314 1.839 20 30 CDEDLO C=CCN1CC[C@@H](N(C)c2ccc(CC)c[nH+]2)C1=O ZINC001515721187 969913510 /nfs/dbraw/zinc/91/35/10/969913510.db2.gz UIHPXZLJCUUGKJ-CYBMUJFWSA-N 1 2 259.353 1.867 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC[N@H+](C)Cc1cc(C2CC2)no1 ZINC001371934255 972699766 /nfs/dbraw/zinc/69/97/66/972699766.db2.gz NXQBBDGGRGPYKW-JTQLQIEISA-N 1 2 276.340 1.260 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](C)Cc1cc(C2CC2)no1 ZINC001371934255 972699775 /nfs/dbraw/zinc/69/97/75/972699775.db2.gz NXQBBDGGRGPYKW-JTQLQIEISA-N 1 2 276.340 1.260 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1cc(C)on1 ZINC001377373800 974993359 /nfs/dbraw/zinc/99/33/59/974993359.db2.gz BWEUUQIQZOACIJ-CYBMUJFWSA-N 1 2 297.786 1.859 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cc(C)on1 ZINC001377373800 974993363 /nfs/dbraw/zinc/99/33/63/974993363.db2.gz BWEUUQIQZOACIJ-CYBMUJFWSA-N 1 2 297.786 1.859 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C1(CCOC)CC1 ZINC001378060946 975226837 /nfs/dbraw/zinc/22/68/37/975226837.db2.gz LYSSHEDQBJOXJM-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C1(CCOC)CC1 ZINC001378060946 975226841 /nfs/dbraw/zinc/22/68/41/975226841.db2.gz LYSSHEDQBJOXJM-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C1CCOCC1 ZINC001401739712 975862614 /nfs/dbraw/zinc/86/26/14/975862614.db2.gz ZJXANYFLMYZHCS-LLVKDONJSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C1CCOCC1 ZINC001401739712 975862626 /nfs/dbraw/zinc/86/26/26/975862626.db2.gz ZJXANYFLMYZHCS-LLVKDONJSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001399501561 976534022 /nfs/dbraw/zinc/53/40/22/976534022.db2.gz HIACUJMWVSOYDJ-GFCCVEGCSA-N 1 2 296.802 1.246 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001399501561 976534030 /nfs/dbraw/zinc/53/40/30/976534030.db2.gz HIACUJMWVSOYDJ-GFCCVEGCSA-N 1 2 296.802 1.246 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](C)c1cnn(C)c1 ZINC001399660910 976629991 /nfs/dbraw/zinc/62/99/91/976629991.db2.gz AOPOMGIZPCZYDR-LLVKDONJSA-N 1 2 284.791 1.324 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](C)c1cnn(C)c1 ZINC001399660910 976629997 /nfs/dbraw/zinc/62/99/97/976629997.db2.gz AOPOMGIZPCZYDR-LLVKDONJSA-N 1 2 284.791 1.324 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1c(C)ncn1C)C1CC1 ZINC001400003554 976802644 /nfs/dbraw/zinc/80/26/44/976802644.db2.gz HWYHSOMWJWEREM-UHFFFAOYSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1c(C)ncn1C)C1CC1 ZINC001400003554 976802667 /nfs/dbraw/zinc/80/26/67/976802667.db2.gz HWYHSOMWJWEREM-UHFFFAOYSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccn(CC)n1 ZINC001381590610 976936344 /nfs/dbraw/zinc/93/63/44/976936344.db2.gz QOBPKXFOLKSTMX-NSHDSACASA-N 1 2 284.791 1.706 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccn(CC)n1 ZINC001381590610 976936349 /nfs/dbraw/zinc/93/63/49/976936349.db2.gz QOBPKXFOLKSTMX-NSHDSACASA-N 1 2 284.791 1.706 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCc1ncccn1 ZINC001381604311 976942163 /nfs/dbraw/zinc/94/21/63/976942163.db2.gz IMUVELYCFNWYLQ-GFCCVEGCSA-N 1 2 296.802 1.598 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCc1ncccn1 ZINC001381604311 976942180 /nfs/dbraw/zinc/94/21/80/976942180.db2.gz IMUVELYCFNWYLQ-GFCCVEGCSA-N 1 2 296.802 1.598 20 30 CDEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1csnn1 ZINC001132569027 1163375802 /nfs/dbraw/zinc/37/58/02/1163375802.db2.gz JTMLLLJBGLTTNR-NXEZZACHSA-N 1 2 268.386 1.202 20 30 CDEDLO C=C1CCC(C(=O)NCC[NH2+][C@@H](C)c2nnc(C)o2)CC1 ZINC001133365591 1163657293 /nfs/dbraw/zinc/65/72/93/1163657293.db2.gz XWFMAOIAQQQQNC-NSHDSACASA-N 1 2 292.383 1.891 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([NH2+]Cc2c[nH]nn2)[C@@H](CC)C1 ZINC001575085054 1171107498 /nfs/dbraw/zinc/10/74/98/1171107498.db2.gz DOSXOQBUZSIIIE-JSGCOSHPSA-N 1 2 291.399 1.488 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([NH2+]Cc2cn[nH]n2)[C@@H](CC)C1 ZINC001575085054 1171107504 /nfs/dbraw/zinc/10/75/04/1171107504.db2.gz DOSXOQBUZSIIIE-JSGCOSHPSA-N 1 2 291.399 1.488 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000586773506 342468346 /nfs/dbraw/zinc/46/83/46/342468346.db2.gz QUAFWEUVXZWNQK-GFCCVEGCSA-N 1 2 278.308 1.797 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000586773506 342468347 /nfs/dbraw/zinc/46/83/47/342468347.db2.gz QUAFWEUVXZWNQK-GFCCVEGCSA-N 1 2 278.308 1.797 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC2(CC(OCC)C2)C1 ZINC000586784250 342469245 /nfs/dbraw/zinc/46/92/45/342469245.db2.gz CYWOPZXZGYOZBK-MBHSVXNSSA-N 1 2 253.342 1.605 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC2(CC(OCC)C2)C1 ZINC000586784250 342469246 /nfs/dbraw/zinc/46/92/46/342469246.db2.gz CYWOPZXZGYOZBK-MBHSVXNSSA-N 1 2 253.342 1.605 20 30 CDEDLO Cc1nc([C@@H]2CCCC[N@@H+]2CCOCCC#N)no1 ZINC000590154719 342523077 /nfs/dbraw/zinc/52/30/77/342523077.db2.gz SWELBPUMSZQILZ-LBPRGKRZSA-N 1 2 264.329 1.835 20 30 CDEDLO Cc1nc([C@@H]2CCCC[N@H+]2CCOCCC#N)no1 ZINC000590154719 342523078 /nfs/dbraw/zinc/52/30/78/342523078.db2.gz SWELBPUMSZQILZ-LBPRGKRZSA-N 1 2 264.329 1.835 20 30 CDEDLO N#Cc1cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)ncn1 ZINC000617962335 342003843 /nfs/dbraw/zinc/00/38/43/342003843.db2.gz QQYRLMSSYXECEJ-LLVKDONJSA-N 1 2 266.308 1.434 20 30 CDEDLO C[C@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000448611609 361774123 /nfs/dbraw/zinc/77/41/23/361774123.db2.gz FFGFFIKXQJPQDE-BBRMVZONSA-N 1 2 284.363 1.276 20 30 CDEDLO CC#CC[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000159701003 361788170 /nfs/dbraw/zinc/78/81/70/361788170.db2.gz ZQPZZGXOPNSFPK-UHFFFAOYSA-N 1 2 278.377 1.440 20 30 CDEDLO CC#CC[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000159701003 361788173 /nfs/dbraw/zinc/78/81/73/361788173.db2.gz ZQPZZGXOPNSFPK-UHFFFAOYSA-N 1 2 278.377 1.440 20 30 CDEDLO CC(C)(C#N)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000042128075 342054641 /nfs/dbraw/zinc/05/46/41/342054641.db2.gz OAULHPQLEGYYAI-UHFFFAOYSA-N 1 2 272.352 1.848 20 30 CDEDLO C[C@H](NC(=O)C1CCCC1)C(=O)N1CCn2cc[nH+]c2C1 ZINC000329696955 361817904 /nfs/dbraw/zinc/81/79/04/361817904.db2.gz DVOORVWHIFLHNY-NSHDSACASA-N 1 2 290.367 1.761 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124948470 187162860 /nfs/dbraw/zinc/16/28/60/187162860.db2.gz FRIAFHKIXLMROS-GOEBONIOSA-N 1 2 288.347 1.619 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@](C)(O)C1 ZINC000124948470 187162861 /nfs/dbraw/zinc/16/28/61/187162861.db2.gz FRIAFHKIXLMROS-GOEBONIOSA-N 1 2 288.347 1.619 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCC(C)(C)C1 ZINC000580333598 342616883 /nfs/dbraw/zinc/61/68/83/342616883.db2.gz WXDPNJSIKWZCAX-BXUZGUMPSA-N 1 2 251.374 1.773 20 30 CDEDLO C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147144 342673595 /nfs/dbraw/zinc/67/35/95/342673595.db2.gz MCCICXUIZHENAD-XHDPSFHLSA-N 1 2 299.334 1.543 20 30 CDEDLO C[C@@H](c1nc(-c2cccnc2)no1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147144 342673596 /nfs/dbraw/zinc/67/35/96/342673596.db2.gz MCCICXUIZHENAD-XHDPSFHLSA-N 1 2 299.334 1.543 20 30 CDEDLO C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148186 342668062 /nfs/dbraw/zinc/66/80/62/342668062.db2.gz RQQLTEBJLCTRRU-DYVFJYSZSA-N 1 2 299.374 1.315 20 30 CDEDLO C[C@H](C(=O)N1CCc2ccccc21)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148186 342668063 /nfs/dbraw/zinc/66/80/63/342668063.db2.gz RQQLTEBJLCTRRU-DYVFJYSZSA-N 1 2 299.374 1.315 20 30 CDEDLO Cc1ccsc1CNC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151173 342668999 /nfs/dbraw/zinc/66/89/99/342668999.db2.gz NPFCYVDQMLKBMM-AWEZNQCLSA-N 1 2 293.392 1.023 20 30 CDEDLO Cc1ccsc1CNC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151173 342669000 /nfs/dbraw/zinc/66/90/00/342669000.db2.gz NPFCYVDQMLKBMM-AWEZNQCLSA-N 1 2 293.392 1.023 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cnnn2-c2ccccc2)C1 ZINC000592153327 342669736 /nfs/dbraw/zinc/66/97/36/342669736.db2.gz LUJYNQXWYGJYAO-OAHLLOKOSA-N 1 2 283.335 1.118 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cnnn2-c2ccccc2)C1 ZINC000592153327 342669738 /nfs/dbraw/zinc/66/97/38/342669738.db2.gz LUJYNQXWYGJYAO-OAHLLOKOSA-N 1 2 283.335 1.118 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CCC(F)(F)C1 ZINC000593153110 342773927 /nfs/dbraw/zinc/77/39/27/342773927.db2.gz IEECMARIDFWKAF-KOLCDFICSA-N 1 2 259.300 1.382 20 30 CDEDLO CC[C@@H](C#N)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000593420880 342800040 /nfs/dbraw/zinc/80/00/40/342800040.db2.gz IOWPUQLKYUXOFC-LBPRGKRZSA-N 1 2 257.337 1.668 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594027452 342867723 /nfs/dbraw/zinc/86/77/23/342867723.db2.gz UZPUKEPGEOQRCG-STQMWFEESA-N 1 2 253.342 1.748 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594027452 342867724 /nfs/dbraw/zinc/86/77/24/342867724.db2.gz UZPUKEPGEOQRCG-STQMWFEESA-N 1 2 253.342 1.748 20 30 CDEDLO C[N@H+](Cc1nnc2n1CCC2)Cc1ccc(CC#N)cc1 ZINC000542279887 539090584 /nfs/dbraw/zinc/09/05/84/539090584.db2.gz FFAZILNNHPKGAW-UHFFFAOYSA-N 1 2 281.363 1.922 20 30 CDEDLO C[N@@H+](Cc1nnc2n1CCC2)Cc1ccc(CC#N)cc1 ZINC000542279887 539090585 /nfs/dbraw/zinc/09/05/85/539090585.db2.gz FFAZILNNHPKGAW-UHFFFAOYSA-N 1 2 281.363 1.922 20 30 CDEDLO Cc1cn2ccc(NC(=O)C(=O)N(C)[C@H](C)CC#N)cc2[nH+]1 ZINC000595010172 342990219 /nfs/dbraw/zinc/99/02/19/342990219.db2.gz ICJMLHWNSFBXDG-LLVKDONJSA-N 1 2 299.334 1.342 20 30 CDEDLO C[N@H+](CCO)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075622338 342313721 /nfs/dbraw/zinc/31/37/21/342313721.db2.gz CONVIVIBFFOROM-UHFFFAOYSA-N 1 2 258.281 1.032 20 30 CDEDLO C[N@@H+](CCO)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075622338 342313722 /nfs/dbraw/zinc/31/37/22/342313722.db2.gz CONVIVIBFFOROM-UHFFFAOYSA-N 1 2 258.281 1.032 20 30 CDEDLO C[C@H](NS(=O)(=O)CC1(CC#N)CC1)c1[nH+]ccn1C ZINC000595383413 343052038 /nfs/dbraw/zinc/05/20/38/343052038.db2.gz NATLRNDZCNFIOX-JTQLQIEISA-N 1 2 282.369 1.094 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC000595436812 343060702 /nfs/dbraw/zinc/06/07/02/343060702.db2.gz CHBFHSKOSDEAMI-CYBMUJFWSA-N 1 2 296.378 1.555 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000595436812 343060705 /nfs/dbraw/zinc/06/07/05/343060705.db2.gz CHBFHSKOSDEAMI-CYBMUJFWSA-N 1 2 296.378 1.555 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCn2c[nH+]cc2C1 ZINC000595494740 343076687 /nfs/dbraw/zinc/07/66/87/343076687.db2.gz MXLRSCMRCRUJHD-IUODEOHRSA-N 1 2 289.383 1.142 20 30 CDEDLO O=C(C[N@@H+]1CCO[C@@]2(CCOC2)C1)NC1CCCCC1 ZINC000329917605 362091162 /nfs/dbraw/zinc/09/11/62/362091162.db2.gz ZISJKDUPVBJWTG-HNNXBMFYSA-N 1 2 282.384 1.767 20 30 CDEDLO O=C(C[N@H+]1CCO[C@@]2(CCOC2)C1)NC1CCCCC1 ZINC000329917605 362091170 /nfs/dbraw/zinc/09/11/70/362091170.db2.gz ZISJKDUPVBJWTG-HNNXBMFYSA-N 1 2 282.384 1.767 20 30 CDEDLO CN1CC[N@H+](Cc2ccc(C#N)cc2Cl)CCC1=O ZINC000595771365 343147247 /nfs/dbraw/zinc/14/72/47/343147247.db2.gz ATEGEGABNGOYAO-UHFFFAOYSA-N 1 2 277.755 1.876 20 30 CDEDLO CN1CC[N@@H+](Cc2ccc(C#N)cc2Cl)CCC1=O ZINC000595771365 343147250 /nfs/dbraw/zinc/14/72/50/343147250.db2.gz ATEGEGABNGOYAO-UHFFFAOYSA-N 1 2 277.755 1.876 20 30 CDEDLO CC(C)CNC(=O)CCC[N@H+]([C@H](C)C#N)C1CC1 ZINC000595710879 343137441 /nfs/dbraw/zinc/13/74/41/343137441.db2.gz UDXSMIBYIAYKSL-GFCCVEGCSA-N 1 2 251.374 1.915 20 30 CDEDLO CC(C)CNC(=O)CCC[N@@H+]([C@H](C)C#N)C1CC1 ZINC000595710879 343137443 /nfs/dbraw/zinc/13/74/43/343137443.db2.gz UDXSMIBYIAYKSL-GFCCVEGCSA-N 1 2 251.374 1.915 20 30 CDEDLO CCc1nc(C#N)cc(NCCNc2cccc[nH+]2)n1 ZINC000596059616 343222889 /nfs/dbraw/zinc/22/28/89/343222889.db2.gz SOWPXWQVXJHRGN-UHFFFAOYSA-N 1 2 268.324 1.252 20 30 CDEDLO C[C@H]1C[N@H+](CCNc2cccnc2C#N)[C@@H](C)CO1 ZINC000596430739 343319090 /nfs/dbraw/zinc/31/90/90/343319090.db2.gz OKGZPSRWAYVVSD-RYUDHWBXSA-N 1 2 260.341 1.474 20 30 CDEDLO C[C@H]1C[N@@H+](CCNc2cccnc2C#N)[C@@H](C)CO1 ZINC000596430739 343319093 /nfs/dbraw/zinc/31/90/93/343319093.db2.gz OKGZPSRWAYVVSD-RYUDHWBXSA-N 1 2 260.341 1.474 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1cnccc1C#N ZINC000596430275 343319250 /nfs/dbraw/zinc/31/92/50/343319250.db2.gz LAQDJJDOUIPLHS-NEPJUHHUSA-N 1 2 260.341 1.474 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1cnccc1C#N ZINC000596430275 343319252 /nfs/dbraw/zinc/31/92/52/343319252.db2.gz LAQDJJDOUIPLHS-NEPJUHHUSA-N 1 2 260.341 1.474 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cccc(OC)c2F)CC1 ZINC000090502311 342395132 /nfs/dbraw/zinc/39/51/32/342395132.db2.gz MKXCMJZCAMLZIV-UHFFFAOYSA-N 1 2 290.338 1.615 20 30 CDEDLO C[C@H](O)CNc1cc(NCCc2ccc(C#N)cc2)[nH+]cn1 ZINC000596320455 343302233 /nfs/dbraw/zinc/30/22/33/343302233.db2.gz NHOBBEZZEVMVKJ-LBPRGKRZSA-N 1 2 297.362 1.217 20 30 CDEDLO C[C@H](O)CNc1cc(NCCc2ccc(C#N)cc2)nc[nH+]1 ZINC000596320455 343302235 /nfs/dbraw/zinc/30/22/35/343302235.db2.gz NHOBBEZZEVMVKJ-LBPRGKRZSA-N 1 2 297.362 1.217 20 30 CDEDLO Cc1cnn(C)c1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000289075776 136399071 /nfs/dbraw/zinc/39/90/71/136399071.db2.gz KAARXUFRWCVETP-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO CCOC(=O)c1nn(C)cc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000597176590 343468114 /nfs/dbraw/zinc/46/81/14/343468114.db2.gz IRTPGSBZVRHOCL-GFCCVEGCSA-N 1 2 290.367 1.722 20 30 CDEDLO CCOC(=O)c1nn(C)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597176590 343468118 /nfs/dbraw/zinc/46/81/18/343468118.db2.gz IRTPGSBZVRHOCL-GFCCVEGCSA-N 1 2 290.367 1.722 20 30 CDEDLO Cc1cncc(C[NH+]2CCN(c3cnccc3C#N)CC2)c1 ZINC000565987111 365773567 /nfs/dbraw/zinc/77/35/67/365773567.db2.gz LQMQMFAGORHBQL-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO Cc1nn(C)c(C[NH2+]C[C@H](C)C#N)c1Br ZINC000308839638 343588889 /nfs/dbraw/zinc/58/88/89/343588889.db2.gz JOEBPPZWDYVFGH-SSDOTTSWSA-N 1 2 271.162 1.740 20 30 CDEDLO CC(C)(CC#N)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000597761281 343617598 /nfs/dbraw/zinc/61/75/98/343617598.db2.gz AXRANHGZMHKCPC-LLVKDONJSA-N 1 2 260.341 1.502 20 30 CDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C ZINC000250223095 349821854 /nfs/dbraw/zinc/82/18/54/349821854.db2.gz FAXJDHXCXSKSDK-GFCCVEGCSA-N 1 2 293.392 1.273 20 30 CDEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C ZINC000250223095 349821856 /nfs/dbraw/zinc/82/18/56/349821856.db2.gz FAXJDHXCXSKSDK-GFCCVEGCSA-N 1 2 293.392 1.273 20 30 CDEDLO C=C[C@@H]([NH2+]CCCn1cnc2ccccc21)C(=O)OC ZINC000619700055 349856314 /nfs/dbraw/zinc/85/63/14/349856314.db2.gz VPMQIKYVKQOSBP-GFCCVEGCSA-N 1 2 273.336 1.744 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(CC(=O)OCC)CC1 ZINC000619716505 349866905 /nfs/dbraw/zinc/86/69/05/349866905.db2.gz RBVSEHUGBIXCRL-GFCCVEGCSA-N 1 2 269.341 1.379 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N[C@H]1CCOc2ccccc21 ZINC000619704899 349861027 /nfs/dbraw/zinc/86/10/27/349861027.db2.gz WHISNPKANVLQEV-AAEUAGOBSA-N 1 2 273.336 1.518 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000619718363 349869053 /nfs/dbraw/zinc/86/90/53/349869053.db2.gz LFONCQFGSBKOMP-HUUCEWRRSA-N 1 2 297.395 1.764 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000619718928 349869334 /nfs/dbraw/zinc/86/93/34/349869334.db2.gz IOHMACSVEATJFU-GFCCVEGCSA-N 1 2 255.358 1.994 20 30 CDEDLO Cc1cn2ccc(NC(=O)CSCC#N)cc2[nH+]1 ZINC000598469318 343809081 /nfs/dbraw/zinc/80/90/81/343809081.db2.gz QADKMNWUZDSYEV-UHFFFAOYSA-N 1 2 260.322 1.838 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CC1(C#N)CCCCC1 ZINC000598836143 343914417 /nfs/dbraw/zinc/91/44/17/343914417.db2.gz BDJMRUDPEQUDTJ-CQSZACIVSA-N 1 2 276.384 1.811 20 30 CDEDLO N#Cc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)s1 ZINC000598945834 343925771 /nfs/dbraw/zinc/92/57/71/343925771.db2.gz CVKXVPIOAJSFKK-SECBINFHSA-N 1 2 272.333 1.561 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598950923 343934078 /nfs/dbraw/zinc/93/40/78/343934078.db2.gz WQWKMHFYBKANPZ-SNVBAGLBSA-N 1 2 270.292 1.401 20 30 CDEDLO N#CCCOCC[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000599697812 344126835 /nfs/dbraw/zinc/12/68/35/344126835.db2.gz AKQXKJXUZFTNDD-UHFFFAOYSA-N 1 2 264.300 1.950 20 30 CDEDLO N#CCCOCC[N@H+]1CCOc2cc(F)ccc2C1 ZINC000599697812 344126837 /nfs/dbraw/zinc/12/68/37/344126837.db2.gz AKQXKJXUZFTNDD-UHFFFAOYSA-N 1 2 264.300 1.950 20 30 CDEDLO Cc1cn2ccc(C(=O)N3CCO[C@H](C#N)C3)cc2[nH+]1 ZINC000602098703 344333246 /nfs/dbraw/zinc/33/32/46/344333246.db2.gz SZDSNGBFDPAOJO-GFCCVEGCSA-N 1 2 270.292 1.007 20 30 CDEDLO CC[N@@H+](Cc1ccc(C(=O)OC)n1C)C[C@@H](C)C#N ZINC000602448091 344434024 /nfs/dbraw/zinc/43/40/24/344434024.db2.gz SEOASXNTOMLOKJ-NSHDSACASA-N 1 2 263.341 1.793 20 30 CDEDLO CC[N@H+](Cc1ccc(C(=O)OC)n1C)C[C@@H](C)C#N ZINC000602448091 344434026 /nfs/dbraw/zinc/43/40/26/344434026.db2.gz SEOASXNTOMLOKJ-NSHDSACASA-N 1 2 263.341 1.793 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2cc(C#N)cs2)C[C@H](C)O1 ZINC000249189466 362425467 /nfs/dbraw/zinc/42/54/67/362425467.db2.gz OYDZYFILTUHFED-JQWIXIFHSA-N 1 2 266.366 1.855 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)C[C@H](C)O1 ZINC000249189466 362425471 /nfs/dbraw/zinc/42/54/71/362425471.db2.gz OYDZYFILTUHFED-JQWIXIFHSA-N 1 2 266.366 1.855 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000602860918 344616612 /nfs/dbraw/zinc/61/66/12/344616612.db2.gz DWNNHEUQVOKLNM-NTZNESFSSA-N 1 2 250.346 1.321 20 30 CDEDLO C[C@]1(C#N)CCC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000612167927 347065761 /nfs/dbraw/zinc/06/57/61/347065761.db2.gz ZHMCBPIBSYGCQD-QLFBSQMISA-N 1 2 263.385 1.475 20 30 CDEDLO C[C@]1(C#N)CCC[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000612167927 347065764 /nfs/dbraw/zinc/06/57/64/347065764.db2.gz ZHMCBPIBSYGCQD-QLFBSQMISA-N 1 2 263.385 1.475 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000617485367 345590252 /nfs/dbraw/zinc/59/02/52/345590252.db2.gz DWNYKQBUNDZRHO-INIZCTEOSA-N 1 2 289.379 1.625 20 30 CDEDLO COc1cc(C)ccc1C[NH+]1CCN(CC#N)CC1 ZINC000449014986 362616128 /nfs/dbraw/zinc/61/61/28/362616128.db2.gz CMJGFTRCZLEPTR-UHFFFAOYSA-N 1 2 259.353 1.645 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H](CC)C1CCC1)C(=O)OC ZINC000449299027 362643706 /nfs/dbraw/zinc/64/37/06/362643706.db2.gz KDMKBWQXUYABED-OLZOCXBDSA-N 1 2 255.358 1.899 20 30 CDEDLO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)CC#N)C1=O ZINC000610681685 346356819 /nfs/dbraw/zinc/35/68/19/346356819.db2.gz DZBIDCDMDDMMHT-VXGBXAGGSA-N 1 2 273.336 1.692 20 30 CDEDLO CNc1cc2c(nn1)CC[N@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC000610719626 346377142 /nfs/dbraw/zinc/37/71/42/346377142.db2.gz RKFFUCHTONOZBN-UHFFFAOYSA-N 1 2 297.337 1.509 20 30 CDEDLO CNc1cc2c(nn1)CC[N@@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC000610719626 346377143 /nfs/dbraw/zinc/37/71/43/346377143.db2.gz RKFFUCHTONOZBN-UHFFFAOYSA-N 1 2 297.337 1.509 20 30 CDEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CC=CCC3)C2=O)cc1 ZINC000611508411 346800211 /nfs/dbraw/zinc/80/02/11/346800211.db2.gz AKZQRWUDIXGIRU-CQSZACIVSA-N 1 2 281.315 1.452 20 30 CDEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC=CCC3)C2=O)cc1 ZINC000611508411 346800213 /nfs/dbraw/zinc/80/02/13/346800213.db2.gz AKZQRWUDIXGIRU-CQSZACIVSA-N 1 2 281.315 1.452 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(C#N)CC1 ZINC000057907882 347119962 /nfs/dbraw/zinc/11/99/62/347119962.db2.gz ZOXRGQNJGUZDGB-IUODEOHRSA-N 1 2 276.384 1.665 20 30 CDEDLO C#CC[N@H+](Cc1nnnn1C1CC1)C1CCCCC1 ZINC000065960267 347475498 /nfs/dbraw/zinc/47/54/98/347475498.db2.gz UIEPRLBMRVHNTA-UHFFFAOYSA-N 1 2 259.357 1.776 20 30 CDEDLO C#CC[N@@H+](Cc1nnnn1C1CC1)C1CCCCC1 ZINC000065960267 347475502 /nfs/dbraw/zinc/47/55/02/347475502.db2.gz UIEPRLBMRVHNTA-UHFFFAOYSA-N 1 2 259.357 1.776 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1ccc(C#N)s1 ZINC000230337229 140210925 /nfs/dbraw/zinc/21/09/25/140210925.db2.gz CWXXDMVWVIKXBE-VIFPVBQESA-N 1 2 296.377 1.183 20 30 CDEDLO CC(=O)c1ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc1F ZINC000414149836 362925474 /nfs/dbraw/zinc/92/54/74/362925474.db2.gz VEIBFJDYSABCOJ-GFCCVEGCSA-N 1 2 294.326 1.613 20 30 CDEDLO CC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc1F ZINC000414149836 362925480 /nfs/dbraw/zinc/92/54/80/362925480.db2.gz VEIBFJDYSABCOJ-GFCCVEGCSA-N 1 2 294.326 1.613 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000066469460 348986440 /nfs/dbraw/zinc/98/64/40/348986440.db2.gz NQAJIUUWNZAGJO-AAEUAGOBSA-N 1 2 293.323 1.426 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000066469460 348986442 /nfs/dbraw/zinc/98/64/42/348986442.db2.gz NQAJIUUWNZAGJO-AAEUAGOBSA-N 1 2 293.323 1.426 20 30 CDEDLO COC(=O)C[N@H+](Cc1cccc(C#N)n1)C1CCOCC1 ZINC000602479473 350113617 /nfs/dbraw/zinc/11/36/17/350113617.db2.gz MFUVBSJMWDOCFA-UHFFFAOYSA-N 1 2 289.335 1.107 20 30 CDEDLO COC(=O)C[N@@H+](Cc1cccc(C#N)n1)C1CCOCC1 ZINC000602479473 350113619 /nfs/dbraw/zinc/11/36/19/350113619.db2.gz MFUVBSJMWDOCFA-UHFFFAOYSA-N 1 2 289.335 1.107 20 30 CDEDLO COC(=O)[C@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104963170 186036260 /nfs/dbraw/zinc/03/62/60/186036260.db2.gz NISWXSQRRJGKTD-LBPRGKRZSA-N 1 2 288.347 1.963 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)N1CCc2ccccc21 ZINC000068616758 351112236 /nfs/dbraw/zinc/11/22/36/351112236.db2.gz SVEDGTWGOKMKQP-RYUDHWBXSA-N 1 2 257.337 1.856 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@](C)(O)C2)c(C#N)c1C ZINC000123879983 187112771 /nfs/dbraw/zinc/11/27/71/187112771.db2.gz GYNXGFQCKOQPGG-OAHLLOKOSA-N 1 2 291.351 1.553 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@](C)(O)C2)c(C#N)c1C ZINC000123879983 187112772 /nfs/dbraw/zinc/11/27/72/187112772.db2.gz GYNXGFQCKOQPGG-OAHLLOKOSA-N 1 2 291.351 1.553 20 30 CDEDLO CCc1nnc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)[nH]1 ZINC000292233714 198212504 /nfs/dbraw/zinc/21/25/04/198212504.db2.gz PTKBSZHKKMKMAV-LBPRGKRZSA-N 1 2 298.350 1.287 20 30 CDEDLO CCc1nnc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)[nH]1 ZINC000292233714 198212506 /nfs/dbraw/zinc/21/25/06/198212506.db2.gz PTKBSZHKKMKMAV-LBPRGKRZSA-N 1 2 298.350 1.287 20 30 CDEDLO C[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000264398332 366196121 /nfs/dbraw/zinc/19/61/21/366196121.db2.gz GVMSGWHSMPIDFS-CMPLNLGQSA-N 1 2 293.392 1.794 20 30 CDEDLO C[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000264398332 366196126 /nfs/dbraw/zinc/19/61/26/366196126.db2.gz GVMSGWHSMPIDFS-CMPLNLGQSA-N 1 2 293.392 1.794 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186847103 356028385 /nfs/dbraw/zinc/02/83/85/356028385.db2.gz WXZRSSYFBHRIQK-UGFHNGPFSA-N 1 2 288.347 1.475 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186847103 356028391 /nfs/dbraw/zinc/02/83/91/356028391.db2.gz WXZRSSYFBHRIQK-UGFHNGPFSA-N 1 2 288.347 1.475 20 30 CDEDLO N#Cc1cccc(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000336435387 356174696 /nfs/dbraw/zinc/17/46/96/356174696.db2.gz BXLHWEGWMLDCDY-CQSZACIVSA-N 1 2 280.331 1.634 20 30 CDEDLO C#CC[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000491360774 412629680 /nfs/dbraw/zinc/62/96/80/412629680.db2.gz HPWNFYKTSJMWDI-UHFFFAOYSA-N 1 2 252.277 1.673 20 30 CDEDLO C#CC[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000491360774 412629683 /nfs/dbraw/zinc/62/96/83/412629683.db2.gz HPWNFYKTSJMWDI-UHFFFAOYSA-N 1 2 252.277 1.673 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+](CCOC)Cc1ccco1 ZINC000046600955 356777173 /nfs/dbraw/zinc/77/71/73/356777173.db2.gz FNAQZHRPXGMPMQ-UHFFFAOYSA-N 1 2 292.379 1.929 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+](CCOC)Cc1ccco1 ZINC000046600955 356777174 /nfs/dbraw/zinc/77/71/74/356777174.db2.gz FNAQZHRPXGMPMQ-UHFFFAOYSA-N 1 2 292.379 1.929 20 30 CDEDLO C[C@H]([NH2+]CCNC(O)=C1N=CC=CC1=O)C(C)(C)C ZINC000180870524 357291119 /nfs/dbraw/zinc/29/11/19/357291119.db2.gz ZADCCSNLPBTCGB-AGKQBQDBSA-N 1 2 265.357 1.537 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1Nc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000582043923 357457932 /nfs/dbraw/zinc/45/79/32/357457932.db2.gz ZRZYPSPMXMUNQZ-NEPJUHHUSA-N 1 2 291.399 1.628 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1Nc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000582043923 357457942 /nfs/dbraw/zinc/45/79/42/357457942.db2.gz ZRZYPSPMXMUNQZ-NEPJUHHUSA-N 1 2 291.399 1.628 20 30 CDEDLO C#CC[N@H+](Cc1ccccc1)C[C@@H](C)CS(C)(=O)=O ZINC000491805462 357580286 /nfs/dbraw/zinc/58/02/86/357580286.db2.gz OCQXLOCBJITJSR-CQSZACIVSA-N 1 2 279.405 1.803 20 30 CDEDLO C#CC[N@@H+](Cc1ccccc1)C[C@@H](C)CS(C)(=O)=O ZINC000491805462 357580290 /nfs/dbraw/zinc/58/02/90/357580290.db2.gz OCQXLOCBJITJSR-CQSZACIVSA-N 1 2 279.405 1.803 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(C#N)cn1)CCO2 ZINC000566416566 357665759 /nfs/dbraw/zinc/66/57/59/357665759.db2.gz NBIYSUOWBMWZTA-WFASDCNBSA-N 1 2 273.336 1.333 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(C#N)cn1)CCO2 ZINC000566416566 357665765 /nfs/dbraw/zinc/66/57/65/357665765.db2.gz NBIYSUOWBMWZTA-WFASDCNBSA-N 1 2 273.336 1.333 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000286735197 357975324 /nfs/dbraw/zinc/97/53/24/357975324.db2.gz DFPMTCWYFUGBAW-OAHLLOKOSA-N 1 2 278.327 1.863 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@](F)(CO)C1 ZINC000286735197 357975327 /nfs/dbraw/zinc/97/53/27/357975327.db2.gz DFPMTCWYFUGBAW-OAHLLOKOSA-N 1 2 278.327 1.863 20 30 CDEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)o2)C[C@H]1C ZINC000408116019 358159434 /nfs/dbraw/zinc/15/94/34/358159434.db2.gz SOGRYCJCQMGCIM-GHMZBOCLSA-N 1 2 297.380 1.254 20 30 CDEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)o2)C[C@H]1C ZINC000408116019 358159438 /nfs/dbraw/zinc/15/94/38/358159438.db2.gz SOGRYCJCQMGCIM-GHMZBOCLSA-N 1 2 297.380 1.254 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148900 358587592 /nfs/dbraw/zinc/58/75/92/358587592.db2.gz DZICFOLVEQNCTN-MLGOLLRUSA-N 1 2 298.346 1.236 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148900 358587593 /nfs/dbraw/zinc/58/75/93/358587593.db2.gz DZICFOLVEQNCTN-MLGOLLRUSA-N 1 2 298.346 1.236 20 30 CDEDLO COCCC(=O)N1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000355078129 358962121 /nfs/dbraw/zinc/96/21/21/358962121.db2.gz AYDFWUSMPCWHJI-UHFFFAOYSA-N 1 2 293.392 1.300 20 30 CDEDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000296734085 358980363 /nfs/dbraw/zinc/98/03/63/358980363.db2.gz OECKODGFDAUOMG-AWEZNQCLSA-N 1 2 291.326 1.970 20 30 CDEDLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000296734085 358980370 /nfs/dbraw/zinc/98/03/70/358980370.db2.gz OECKODGFDAUOMG-AWEZNQCLSA-N 1 2 291.326 1.970 20 30 CDEDLO CCC[C@H](C)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000346487467 359017794 /nfs/dbraw/zinc/01/77/94/359017794.db2.gz OYMYZTVGFSZHNN-HNNXBMFYSA-N 1 2 295.427 1.887 20 30 CDEDLO N#CC1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000057907458 359121338 /nfs/dbraw/zinc/12/13/38/359121338.db2.gz DODLINFOSOAKNR-UHFFFAOYSA-N 1 2 257.337 1.538 20 30 CDEDLO N#Cc1cc(NCC2([NH+]3CCOCC3)CC2)ccn1 ZINC000287936307 359136753 /nfs/dbraw/zinc/13/67/53/359136753.db2.gz XNPZLRHADAPXDM-UHFFFAOYSA-N 1 2 258.325 1.230 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C#N)cc1 ZINC000046886757 359175237 /nfs/dbraw/zinc/17/52/37/359175237.db2.gz BMFAANJDQZLDJF-LBPRGKRZSA-N 1 2 273.336 1.009 20 30 CDEDLO C#CCNC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000264273582 359306281 /nfs/dbraw/zinc/30/62/81/359306281.db2.gz PNCVLCBYCOANSN-UHFFFAOYSA-N 1 2 274.246 1.220 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[S@@](=O)Cc1c[nH+]cn1C ZINC000268172142 359358608 /nfs/dbraw/zinc/35/86/08/359358608.db2.gz QKXBVWVLKKYLEM-IBGZPJMESA-N 1 2 283.397 1.093 20 30 CDEDLO C=CCCCCNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000274547850 359508036 /nfs/dbraw/zinc/50/80/36/359508036.db2.gz UGICVOVCEMLOBB-UHFFFAOYSA-N 1 2 277.324 1.501 20 30 CDEDLO C=CCCCCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000274513638 359510252 /nfs/dbraw/zinc/51/02/52/359510252.db2.gz NHCOXQJOFAPPLL-LBPRGKRZSA-N 1 2 250.346 1.927 20 30 CDEDLO C#CC[N@@H+](CC(=O)N1CCCC[C@H]1C(=O)OCC)C1CC1 ZINC000274128267 359520629 /nfs/dbraw/zinc/52/06/29/359520629.db2.gz HVSIMRLHIGIKPD-AWEZNQCLSA-N 1 2 292.379 1.028 20 30 CDEDLO C#CC[N@H+](CC(=O)N1CCCC[C@H]1C(=O)OCC)C1CC1 ZINC000274128267 359520634 /nfs/dbraw/zinc/52/06/34/359520634.db2.gz HVSIMRLHIGIKPD-AWEZNQCLSA-N 1 2 292.379 1.028 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1nnc(CCCCC)s1 ZINC000276957049 359551831 /nfs/dbraw/zinc/55/18/31/359551831.db2.gz LRYIQRLEWOCUSC-UHFFFAOYSA-N 1 2 280.397 1.774 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1nnc(CCCCC)s1 ZINC000276957049 359551836 /nfs/dbraw/zinc/55/18/36/359551836.db2.gz LRYIQRLEWOCUSC-UHFFFAOYSA-N 1 2 280.397 1.774 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277270438 359558576 /nfs/dbraw/zinc/55/85/76/359558576.db2.gz RPSRJEWCGJCVLR-BFUOFWGJSA-N 1 2 284.425 1.030 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277270438 359558579 /nfs/dbraw/zinc/55/85/79/359558579.db2.gz RPSRJEWCGJCVLR-BFUOFWGJSA-N 1 2 284.425 1.030 20 30 CDEDLO C=CCOCCC[N@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000348049761 359800835 /nfs/dbraw/zinc/80/08/35/359800835.db2.gz JMNFZUARXBURJL-OLZOCXBDSA-N 1 2 299.367 1.006 20 30 CDEDLO C=CCOCCC[N@@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000348049761 359800838 /nfs/dbraw/zinc/80/08/38/359800838.db2.gz JMNFZUARXBURJL-OLZOCXBDSA-N 1 2 299.367 1.006 20 30 CDEDLO C=CCOCCC[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000348072445 359815343 /nfs/dbraw/zinc/81/53/43/359815343.db2.gz AYFFMTKDTWVGEM-UHFFFAOYSA-N 1 2 254.374 1.379 20 30 CDEDLO C=CCOCCC[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000348072445 359815344 /nfs/dbraw/zinc/81/53/44/359815344.db2.gz AYFFMTKDTWVGEM-UHFFFAOYSA-N 1 2 254.374 1.379 20 30 CDEDLO C=C[C@@H](CO)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000356870589 366602218 /nfs/dbraw/zinc/60/22/18/366602218.db2.gz GYTMSOYPOPASJI-AWEZNQCLSA-N 1 2 271.320 1.208 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496084174 366638579 /nfs/dbraw/zinc/63/85/79/366638579.db2.gz IBFZMJHEBGHOQL-RYUDHWBXSA-N 1 2 285.388 1.306 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496084174 366638583 /nfs/dbraw/zinc/63/85/83/366638583.db2.gz IBFZMJHEBGHOQL-RYUDHWBXSA-N 1 2 285.388 1.306 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000064958735 360086088 /nfs/dbraw/zinc/08/60/88/360086088.db2.gz YBXGPZYVNWARIE-UHFFFAOYSA-N 1 2 276.767 1.660 20 30 CDEDLO C=CCn1cccc1C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000337590983 360276052 /nfs/dbraw/zinc/27/60/52/360276052.db2.gz MWTXIUIVBWAZPX-OAHLLOKOSA-N 1 2 296.374 1.856 20 30 CDEDLO Cc1cc(F)cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000574089896 334991628 /nfs/dbraw/zinc/99/16/28/334991628.db2.gz RCDORUJHGGTTIZ-AWEZNQCLSA-N 1 2 263.316 1.708 20 30 CDEDLO CCn1nccc1C[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000429711069 360870593 /nfs/dbraw/zinc/87/05/93/360870593.db2.gz DFLNHOWVKODWSD-OAHLLOKOSA-N 1 2 289.383 1.143 20 30 CDEDLO CCn1nccc1C[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000429711069 360870595 /nfs/dbraw/zinc/87/05/95/360870595.db2.gz DFLNHOWVKODWSD-OAHLLOKOSA-N 1 2 289.383 1.143 20 30 CDEDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000563219878 360896076 /nfs/dbraw/zinc/89/60/76/360896076.db2.gz AOLHCVSDECAJOA-AWEZNQCLSA-N 1 2 290.323 1.477 20 30 CDEDLO C=CCOc1ccc(C[N@@H+](C)CC(=O)OC)cc1OC ZINC000179395313 189191049 /nfs/dbraw/zinc/19/10/49/189191049.db2.gz IKHHDRRTTZTULK-UHFFFAOYSA-N 1 2 279.336 1.865 20 30 CDEDLO C=CCOc1ccc(C[N@H+](C)CC(=O)OC)cc1OC ZINC000179395313 189191050 /nfs/dbraw/zinc/19/10/50/189191050.db2.gz IKHHDRRTTZTULK-UHFFFAOYSA-N 1 2 279.336 1.865 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)NCC1(CC#N)CC1 ZINC000431055236 360974260 /nfs/dbraw/zinc/97/42/60/360974260.db2.gz HHGMIPPFIZWVTE-UHFFFAOYSA-N 1 2 275.356 1.608 20 30 CDEDLO C[N@H+](CC(=O)NC(=O)NCc1ccco1)CC(C)(C)C#N ZINC000433294653 361229051 /nfs/dbraw/zinc/22/90/51/361229051.db2.gz AFKSBNHLAIUQCQ-UHFFFAOYSA-N 1 2 292.339 1.087 20 30 CDEDLO C[N@@H+](CC(=O)NC(=O)NCc1ccco1)CC(C)(C)C#N ZINC000433294653 361229054 /nfs/dbraw/zinc/22/90/54/361229054.db2.gz AFKSBNHLAIUQCQ-UHFFFAOYSA-N 1 2 292.339 1.087 20 30 CDEDLO Cc1nc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)nn1C ZINC000329274571 361466422 /nfs/dbraw/zinc/46/64/22/361466422.db2.gz KNKYGLCEQJGDLA-SECBINFHSA-N 1 2 260.301 1.171 20 30 CDEDLO CC(C)(CNC(=O)C1(C)COC1)[NH+]1CCOCC1 ZINC000329313579 361476078 /nfs/dbraw/zinc/47/60/78/361476078.db2.gz RNZTTXDTXGHOBS-UHFFFAOYSA-N 1 2 256.346 1.090 20 30 CDEDLO O=C(NCCC1CC(O)C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329350837 361486692 /nfs/dbraw/zinc/48/66/92/361486692.db2.gz TXBPRPGVNTUAMJ-ZALBZXLWSA-N 1 2 296.411 1.747 20 30 CDEDLO O=C(NCCC1CC(O)C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329350837 361486697 /nfs/dbraw/zinc/48/66/97/361486697.db2.gz TXBPRPGVNTUAMJ-ZALBZXLWSA-N 1 2 296.411 1.747 20 30 CDEDLO O=C(NCCn1cc[nH+]c1)N1CCC[C@H]1C1CCOCC1 ZINC000329409864 361502995 /nfs/dbraw/zinc/50/29/95/361502995.db2.gz BROAVTYPQOKQFU-AWEZNQCLSA-N 1 2 292.383 1.688 20 30 CDEDLO [O-]C(=[NH+]CCn1cc[nH+]c1)N1CCC[C@H]1C1CCOCC1 ZINC000329409864 361502998 /nfs/dbraw/zinc/50/29/98/361502998.db2.gz BROAVTYPQOKQFU-AWEZNQCLSA-N 1 2 292.383 1.688 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C)(O)CC1 ZINC000177329654 291276170 /nfs/dbraw/zinc/27/61/70/291276170.db2.gz DQDQIVNDHWUTAW-CQSZACIVSA-N 1 2 288.347 1.619 20 30 CDEDLO N#Cc1cccc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)c1 ZINC000367084055 364778810 /nfs/dbraw/zinc/77/88/10/364778810.db2.gz KQZKTIHKQGIPQS-MRXNPFEDSA-N 1 2 292.342 1.740 20 30 CDEDLO CC(C)(C(N)=O)N1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000271189653 364968651 /nfs/dbraw/zinc/96/86/51/364968651.db2.gz OUINJKCHTDSKCN-UHFFFAOYSA-N 1 2 292.408 1.001 20 30 CDEDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2ccc(C#N)s2)CC1 ZINC000271189653 364968652 /nfs/dbraw/zinc/96/86/52/364968652.db2.gz OUINJKCHTDSKCN-UHFFFAOYSA-N 1 2 292.408 1.001 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cccc(COC)c2)nn1 ZINC000641122986 365080161 /nfs/dbraw/zinc/08/01/61/365080161.db2.gz DMRRLDYHBIUMIG-UHFFFAOYSA-N 1 2 284.363 1.586 20 30 CDEDLO CC(C)[C@@H](C(=O)N[C@H](C)C#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000249745129 365317975 /nfs/dbraw/zinc/31/79/75/365317975.db2.gz MRJRWVRVDAYNQC-NDBYEHHHSA-N 1 2 267.373 1.148 20 30 CDEDLO CC(C)[C@@H](C(=O)N[C@H](C)C#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000249745129 365317982 /nfs/dbraw/zinc/31/79/82/365317982.db2.gz MRJRWVRVDAYNQC-NDBYEHHHSA-N 1 2 267.373 1.148 20 30 CDEDLO C=CCC(C)(C)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000354268480 365418810 /nfs/dbraw/zinc/41/88/10/365418810.db2.gz WZHINHGORFYMGZ-KBPBESRZSA-N 1 2 280.412 1.910 20 30 CDEDLO N#Cc1ccc(C[NH+](CCO)CCO)c(Br)c1 ZINC000272470034 367738764 /nfs/dbraw/zinc/73/87/64/367738764.db2.gz FMCJLCRPAIZNMS-UHFFFAOYSA-N 1 2 299.168 1.107 20 30 CDEDLO CC(C)(C#N)CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000358623022 367823282 /nfs/dbraw/zinc/82/32/82/367823282.db2.gz BKWJRTCZINGQBH-CYBMUJFWSA-N 1 2 294.399 1.042 20 30 CDEDLO CCC(C#N)(CC)C(=O)N[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000529467710 368078786 /nfs/dbraw/zinc/07/87/86/368078786.db2.gz KWIRHUNHKROBDA-GHMZBOCLSA-N 1 2 260.341 1.722 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1nnc(C)o1 ZINC000541684640 368662459 /nfs/dbraw/zinc/66/24/59/368662459.db2.gz DDQJVYVTIHYGQW-QWRGUYRKSA-N 1 2 278.356 1.618 20 30 CDEDLO C[C@H](C#N)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000542876833 368844443 /nfs/dbraw/zinc/84/44/43/368844443.db2.gz IDAKFNCQYMEFHJ-TZMCWYRMSA-N 1 2 297.362 1.968 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]1Cc2ccc(C)cc2C1 ZINC000361589401 368919481 /nfs/dbraw/zinc/91/94/81/368919481.db2.gz VEGCNFUXARJNOX-UHFFFAOYSA-N 1 2 273.336 1.322 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1Cc2ccc(C)cc2C1 ZINC000361589401 368919485 /nfs/dbraw/zinc/91/94/85/368919485.db2.gz VEGCNFUXARJNOX-UHFFFAOYSA-N 1 2 273.336 1.322 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000370229492 284184338 /nfs/dbraw/zinc/18/43/38/284184338.db2.gz BPCSNTYJFOHZIH-CABCVRRESA-N 1 2 288.347 1.711 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000370229492 284184340 /nfs/dbraw/zinc/18/43/40/284184340.db2.gz BPCSNTYJFOHZIH-CABCVRRESA-N 1 2 288.347 1.711 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347298165 370493359 /nfs/dbraw/zinc/49/33/59/370493359.db2.gz XDQCMLHNFJFUTQ-OKILXGFUSA-N 1 2 280.755 1.529 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[N@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347298165 370493364 /nfs/dbraw/zinc/49/33/64/370493364.db2.gz XDQCMLHNFJFUTQ-OKILXGFUSA-N 1 2 280.755 1.529 20 30 CDEDLO C=CCN1CC[C@@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1=O ZINC000567902721 371186529 /nfs/dbraw/zinc/18/65/29/371186529.db2.gz XRIVLIZIUSQVJN-CHWSQXEVSA-N 1 2 290.367 1.080 20 30 CDEDLO CC(C)[C@@H](NS(=O)(=O)c1ccc(C#N)o1)c1[nH]cc[nH+]1 ZINC000295930946 371520326 /nfs/dbraw/zinc/52/03/26/371520326.db2.gz IJAKIIHYMJYSJM-LLVKDONJSA-N 1 2 294.336 1.550 20 30 CDEDLO CC#CC[N@@H+](CC)CC(=O)Nc1ccccc1OC ZINC000172715514 372414071 /nfs/dbraw/zinc/41/40/71/372414071.db2.gz OKHQLZQJFPIYAE-UHFFFAOYSA-N 1 2 260.337 1.979 20 30 CDEDLO CC#CC[N@H+](CC)CC(=O)Nc1ccccc1OC ZINC000172715514 372414078 /nfs/dbraw/zinc/41/40/78/372414078.db2.gz OKHQLZQJFPIYAE-UHFFFAOYSA-N 1 2 260.337 1.979 20 30 CDEDLO C#CC[N@@H+](CC(=O)NC(=O)NCC)Cc1ccc(F)cc1 ZINC000299366431 372557305 /nfs/dbraw/zinc/55/73/05/372557305.db2.gz XAZOBMIXECJEMV-UHFFFAOYSA-N 1 2 291.326 1.107 20 30 CDEDLO C#CC[N@H+](CC(=O)NC(=O)NCC)Cc1ccc(F)cc1 ZINC000299366431 372557310 /nfs/dbraw/zinc/55/73/10/372557310.db2.gz XAZOBMIXECJEMV-UHFFFAOYSA-N 1 2 291.326 1.107 20 30 CDEDLO C=CC[N@@H+](CCc1ccncc1C)[C@H]1CCS(=O)(=O)C1 ZINC000579947491 372653084 /nfs/dbraw/zinc/65/30/84/372653084.db2.gz ORKOLDWZIBKLEE-HNNXBMFYSA-N 1 2 294.420 1.608 20 30 CDEDLO C=CC[N@H+](CCc1ccncc1C)[C@H]1CCS(=O)(=O)C1 ZINC000579947491 372653088 /nfs/dbraw/zinc/65/30/88/372653088.db2.gz ORKOLDWZIBKLEE-HNNXBMFYSA-N 1 2 294.420 1.608 20 30 CDEDLO Cn1cnnc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000195515370 372963224 /nfs/dbraw/zinc/96/32/24/372963224.db2.gz XCVCGFSLVJDJFS-UHFFFAOYSA-N 1 2 267.336 1.851 20 30 CDEDLO Cn1cnnc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000195515370 372963228 /nfs/dbraw/zinc/96/32/28/372963228.db2.gz XCVCGFSLVJDJFS-UHFFFAOYSA-N 1 2 267.336 1.851 20 30 CDEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NCC#N)cc1 ZINC000341007005 373165638 /nfs/dbraw/zinc/16/56/38/373165638.db2.gz BURPXRGPAUZQKL-OAHLLOKOSA-N 1 2 259.353 1.482 20 30 CDEDLO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1nncn1C ZINC000050419520 373130150 /nfs/dbraw/zinc/13/01/50/373130150.db2.gz VUZSBFSYPAGKCU-VIFPVBQESA-N 1 2 259.288 1.677 20 30 CDEDLO N#Cc1cccnc1N1CC[NH+](Cc2cncs2)CC1 ZINC000122913012 373689001 /nfs/dbraw/zinc/68/90/01/373689001.db2.gz LDIWGSXPRGUVOK-UHFFFAOYSA-N 1 2 285.376 1.732 20 30 CDEDLO N#Cc1cncc(N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000401398322 373850097 /nfs/dbraw/zinc/85/00/97/373850097.db2.gz QPYDRSPZHTZEJZ-UHFFFAOYSA-N 1 2 266.308 1.070 20 30 CDEDLO Cc1nn(C)c(C)c1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360069902 373998505 /nfs/dbraw/zinc/99/85/05/373998505.db2.gz ROCOZIQVKJEDMJ-HNNXBMFYSA-N 1 2 297.362 1.225 20 30 CDEDLO COCC[C@@H]1COCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000361254066 374038687 /nfs/dbraw/zinc/03/86/87/374038687.db2.gz VUIUVRRATOTICD-GFCCVEGCSA-N 1 2 266.366 1.857 20 30 CDEDLO COCC[C@@H]1COCC[N@H+]1Cc1cc(C#N)cs1 ZINC000361254066 374038691 /nfs/dbraw/zinc/03/86/91/374038691.db2.gz VUIUVRRATOTICD-GFCCVEGCSA-N 1 2 266.366 1.857 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000289522275 197388359 /nfs/dbraw/zinc/38/83/59/197388359.db2.gz MQMCOIFXBFAAKN-KRWDZBQOSA-N 1 2 299.374 1.875 20 30 CDEDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(C#N)c1 ZINC000104062719 374174661 /nfs/dbraw/zinc/17/46/61/374174661.db2.gz BFHREHJDDIJTTA-CQSZACIVSA-N 1 2 257.337 1.515 20 30 CDEDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000104062719 374174663 /nfs/dbraw/zinc/17/46/63/374174663.db2.gz BFHREHJDDIJTTA-CQSZACIVSA-N 1 2 257.337 1.515 20 30 CDEDLO Cc1sc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](O)C2)c(C#N)c1C ZINC000351786888 374275143 /nfs/dbraw/zinc/27/51/43/374275143.db2.gz YKEPBILGYKNQJF-PRHODGIISA-N 1 2 293.392 1.488 20 30 CDEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](O)C2)c(C#N)c1C ZINC000351786888 374275152 /nfs/dbraw/zinc/27/51/52/374275152.db2.gz YKEPBILGYKNQJF-PRHODGIISA-N 1 2 293.392 1.488 20 30 CDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000524375475 374292195 /nfs/dbraw/zinc/29/21/95/374292195.db2.gz UZMPAMXTYJFEJP-GFCCVEGCSA-N 1 2 296.330 1.606 20 30 CDEDLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(C#N)nc3)sc2C1 ZINC000115340766 374403187 /nfs/dbraw/zinc/40/31/87/374403187.db2.gz IJIINLMBPVVKFF-UHFFFAOYSA-N 1 2 299.359 1.650 20 30 CDEDLO C[N@H+]1CCc2nc(NC(=O)c3ccc(C#N)nc3)sc2C1 ZINC000115340766 374403190 /nfs/dbraw/zinc/40/31/90/374403190.db2.gz IJIINLMBPVVKFF-UHFFFAOYSA-N 1 2 299.359 1.650 20 30 CDEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000275164235 374691012 /nfs/dbraw/zinc/69/10/12/374691012.db2.gz JOAOMUHFKCVFFQ-AWEZNQCLSA-N 1 2 286.335 1.124 20 30 CDEDLO CCOC(=O)[C@H](F)C1C[NH+](Cc2ccc(C#N)o2)C1 ZINC000293861841 374965525 /nfs/dbraw/zinc/96/55/25/374965525.db2.gz IINNAXYUHNQKAT-GFCCVEGCSA-N 1 2 266.272 1.484 20 30 CDEDLO Cc1cnc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cn1 ZINC000332396991 375030843 /nfs/dbraw/zinc/03/08/43/375030843.db2.gz UAMPMAFLHSJBRC-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO C[N@H+]([C@@H](C(N)=O)c1ccc(C#N)cc1)C1CC(O)C1 ZINC000332479461 375033421 /nfs/dbraw/zinc/03/34/21/375033421.db2.gz UZEYGWYWEJKZJL-WXRRBKDZSA-N 1 2 259.309 1.590 20 30 CDEDLO C[N@@H+]([C@@H](C(N)=O)c1ccc(C#N)cc1)C1CC(O)C1 ZINC000332479461 375033430 /nfs/dbraw/zinc/03/34/30/375033430.db2.gz UZEYGWYWEJKZJL-WXRRBKDZSA-N 1 2 259.309 1.590 20 30 CDEDLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C#N)s1 ZINC000131462059 375267119 /nfs/dbraw/zinc/26/71/19/375267119.db2.gz GJVRJYRCIRKHST-LBPRGKRZSA-N 1 2 263.366 1.576 20 30 CDEDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000131462059 375267122 /nfs/dbraw/zinc/26/71/22/375267122.db2.gz GJVRJYRCIRKHST-LBPRGKRZSA-N 1 2 263.366 1.576 20 30 CDEDLO CC#CCNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000136047489 375752956 /nfs/dbraw/zinc/75/29/56/375752956.db2.gz RWXQTTMPODPBQY-UHFFFAOYSA-N 1 2 292.408 1.384 20 30 CDEDLO CC#CCNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000136047489 375752960 /nfs/dbraw/zinc/75/29/60/375752960.db2.gz RWXQTTMPODPBQY-UHFFFAOYSA-N 1 2 292.408 1.384 20 30 CDEDLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCC#CCO ZINC000425314896 375853886 /nfs/dbraw/zinc/85/38/86/375853886.db2.gz ARJAZVJVAIDPGE-AWEZNQCLSA-N 1 2 283.331 1.044 20 30 CDEDLO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000328618295 375898347 /nfs/dbraw/zinc/89/83/47/375898347.db2.gz VAAKQDFFCCQUBS-JFGNBEQYSA-N 1 2 291.355 1.066 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC000328688465 375929055 /nfs/dbraw/zinc/92/90/55/375929055.db2.gz ZZEJVGZVOKLEGT-RISCZKNCSA-N 1 2 283.372 1.420 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC000328688465 375929056 /nfs/dbraw/zinc/92/90/56/375929056.db2.gz ZZEJVGZVOKLEGT-RISCZKNCSA-N 1 2 283.372 1.420 20 30 CDEDLO CCc1onc(C)c1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000328895370 376003918 /nfs/dbraw/zinc/00/39/18/376003918.db2.gz WFKJOWZFCGPCRY-SNVBAGLBSA-N 1 2 253.302 1.464 20 30 CDEDLO CCc1onc(C)c1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000328895370 376003922 /nfs/dbraw/zinc/00/39/22/376003922.db2.gz WFKJOWZFCGPCRY-SNVBAGLBSA-N 1 2 253.302 1.464 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC000246022078 376357756 /nfs/dbraw/zinc/35/77/56/376357756.db2.gz NQWNOUKBEQPGIO-JKSUJKDBSA-N 1 2 289.375 1.913 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC000246022078 376357763 /nfs/dbraw/zinc/35/77/63/376357763.db2.gz NQWNOUKBEQPGIO-JKSUJKDBSA-N 1 2 289.375 1.913 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000574650482 335037080 /nfs/dbraw/zinc/03/70/80/335037080.db2.gz AYSBXARTVCKHCV-OLZOCXBDSA-N 1 2 271.320 1.716 20 30 CDEDLO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1nncn1C ZINC000130299354 376700160 /nfs/dbraw/zinc/70/01/60/376700160.db2.gz JAKAFHYMIWXFJT-JTQLQIEISA-N 1 2 271.324 1.546 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000073871910 376857485 /nfs/dbraw/zinc/85/74/85/376857485.db2.gz HIVVKONSHIOHQF-ZDUSSCGKSA-N 1 2 266.385 1.686 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000073871910 376857492 /nfs/dbraw/zinc/85/74/92/376857492.db2.gz HIVVKONSHIOHQF-ZDUSSCGKSA-N 1 2 266.385 1.686 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1Cc1cccc(C#N)c1 ZINC000172022380 377235156 /nfs/dbraw/zinc/23/51/56/377235156.db2.gz AOAIHWDHERXEFV-ZIAGYGMSSA-N 1 2 274.320 1.321 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cccc(C#N)c1 ZINC000172022380 377235162 /nfs/dbraw/zinc/23/51/62/377235162.db2.gz AOAIHWDHERXEFV-ZIAGYGMSSA-N 1 2 274.320 1.321 20 30 CDEDLO C=C(C)CS(=O)(=O)N(C)CCCn1cc[nH+]c1 ZINC000280682857 377971685 /nfs/dbraw/zinc/97/16/85/377971685.db2.gz ZOJMLTQNIUQSOR-UHFFFAOYSA-N 1 2 257.359 1.111 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)C[C@H](C)O1 ZINC000191540652 378095364 /nfs/dbraw/zinc/09/53/64/378095364.db2.gz PEPDONWDGIDRID-SMDDNHRTSA-N 1 2 263.341 1.132 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)C[C@H](C)O1 ZINC000191540652 378095370 /nfs/dbraw/zinc/09/53/70/378095370.db2.gz PEPDONWDGIDRID-SMDDNHRTSA-N 1 2 263.341 1.132 20 30 CDEDLO CC#CC[C@H](CO)Nc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000645404811 378152739 /nfs/dbraw/zinc/15/27/39/378152739.db2.gz OGQYESMYEQZMLD-OAHLLOKOSA-N 1 2 296.374 1.764 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000192223834 378176485 /nfs/dbraw/zinc/17/64/85/378176485.db2.gz BPNNTRQEXICUAX-CQSZACIVSA-N 1 2 260.312 1.710 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000192223834 378176488 /nfs/dbraw/zinc/17/64/88/378176488.db2.gz BPNNTRQEXICUAX-CQSZACIVSA-N 1 2 260.312 1.710 20 30 CDEDLO C#CCNC(=O)CC[N@H+](Cc1ccccc1)CC(F)F ZINC000292908308 378525344 /nfs/dbraw/zinc/52/53/44/378525344.db2.gz WQCXUXQXJBUACD-UHFFFAOYSA-N 1 2 280.318 1.893 20 30 CDEDLO C#CCNC(=O)CC[N@@H+](Cc1ccccc1)CC(F)F ZINC000292908308 378525348 /nfs/dbraw/zinc/52/53/48/378525348.db2.gz WQCXUXQXJBUACD-UHFFFAOYSA-N 1 2 280.318 1.893 20 30 CDEDLO CC#CC[N@H+](C)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000292981761 378533257 /nfs/dbraw/zinc/53/32/57/378533257.db2.gz BKLHZEYREWEQJO-HNNXBMFYSA-N 1 2 256.349 1.961 20 30 CDEDLO CC#CC[N@@H+](C)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000292981761 378533262 /nfs/dbraw/zinc/53/32/62/378533262.db2.gz BKLHZEYREWEQJO-HNNXBMFYSA-N 1 2 256.349 1.961 20 30 CDEDLO O=C(NCC#Cc1ccccc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343362774 378857709 /nfs/dbraw/zinc/85/77/09/378857709.db2.gz 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/nfs/dbraw/zinc/23/07/61/195230761.db2.gz YGJOWJOPDUELRT-LLVKDONJSA-N 1 2 263.341 1.670 20 30 CDEDLO C=CCN1CC[C@@H]([NH2+][C@H](COC)c2ccc(CC)o2)C1=O ZINC000281478337 195257458 /nfs/dbraw/zinc/25/74/58/195257458.db2.gz WLKJUZQVXKDXFW-ZIAGYGMSSA-N 1 2 292.379 1.906 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1[nH+]ccn1C ZINC000281480681 195258240 /nfs/dbraw/zinc/25/82/40/195258240.db2.gz HYVJSYDHCJFHRH-JSGCOSHPSA-N 1 2 292.383 1.543 20 30 CDEDLO COc1cc(C[NH2+]Cc2cn[nH]c2C)ccc1C#N ZINC000281734430 195357723 /nfs/dbraw/zinc/35/77/23/195357723.db2.gz QAVBNLDHQDBMBE-UHFFFAOYSA-N 1 2 256.309 1.888 20 30 CDEDLO COC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000048393108 390397230 /nfs/dbraw/zinc/39/72/30/390397230.db2.gz IEUYKNKBAGIBFL-UHFFFAOYSA-N 1 2 279.365 1.669 20 30 CDEDLO C=CCN(CCc1ccco1)C(=O)NCc1c[nH+]cn1C ZINC000292226110 390546200 /nfs/dbraw/zinc/54/62/00/390546200.db2.gz FHOUMYXZYLQTFV-UHFFFAOYSA-N 1 2 288.351 1.953 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368143255 390860223 /nfs/dbraw/zinc/86/02/23/390860223.db2.gz RWQRHSAJQUAGHK-DZGCQCFKSA-N 1 2 295.427 1.894 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368143255 390860224 /nfs/dbraw/zinc/86/02/24/390860224.db2.gz RWQRHSAJQUAGHK-DZGCQCFKSA-N 1 2 295.427 1.894 20 30 CDEDLO COc1ccc(C[NH+]2CCN(CCC#N)CC2)cc1F ZINC000120100769 390863914 /nfs/dbraw/zinc/86/39/14/390863914.db2.gz YYJYLXKVDMGZLI-UHFFFAOYSA-N 1 2 277.343 1.866 20 30 CDEDLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135180570 390939882 /nfs/dbraw/zinc/93/98/82/390939882.db2.gz KLHUNMREVGFXOF-GFCCVEGCSA-N 1 2 271.364 1.808 20 30 CDEDLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135180570 390939883 /nfs/dbraw/zinc/93/98/83/390939883.db2.gz KLHUNMREVGFXOF-GFCCVEGCSA-N 1 2 271.364 1.808 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCOC2(CCCC2)C1 ZINC000363533051 390942951 /nfs/dbraw/zinc/94/29/51/390942951.db2.gz MRZSKUCZJAAQEI-UHFFFAOYSA-N 1 2 279.384 1.394 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCOC2(CCCC2)C1 ZINC000363533051 390942952 /nfs/dbraw/zinc/94/29/52/390942952.db2.gz MRZSKUCZJAAQEI-UHFFFAOYSA-N 1 2 279.384 1.394 20 30 CDEDLO C[C@H]1CCN(C(=O)CSCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000125151571 390917396 /nfs/dbraw/zinc/91/73/96/390917396.db2.gz KLAHGAXPZUBMFX-RYUDHWBXSA-N 1 2 278.381 1.549 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000293033035 391022185 /nfs/dbraw/zinc/02/21/85/391022185.db2.gz RQIVIKOOEVXNPF-LLVKDONJSA-N 1 2 256.737 1.160 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000293033035 391022192 /nfs/dbraw/zinc/02/21/92/391022192.db2.gz RQIVIKOOEVXNPF-LLVKDONJSA-N 1 2 256.737 1.160 20 30 CDEDLO Cc1nnc([C@H]2CCC[N@H+](CC(=O)NCC3CC3)C2)[nH]1 ZINC000329496096 390998661 /nfs/dbraw/zinc/99/86/61/390998661.db2.gz XFVYLGBPYXTGND-LBPRGKRZSA-N 1 2 277.372 1.659 20 30 CDEDLO Cc1nnc([C@H]2CCC[N@@H+](CC(=O)NCC3CC3)C2)[nH]1 ZINC000329496096 390998664 /nfs/dbraw/zinc/99/86/64/390998664.db2.gz XFVYLGBPYXTGND-LBPRGKRZSA-N 1 2 277.372 1.659 20 30 CDEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC(=O)NCC3CC3)C2)n1 ZINC000329496096 390998667 /nfs/dbraw/zinc/99/86/67/390998667.db2.gz XFVYLGBPYXTGND-LBPRGKRZSA-N 1 2 277.372 1.659 20 30 CDEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC(=O)NCC3CC3)C2)n1 ZINC000329496096 390998670 /nfs/dbraw/zinc/99/86/70/390998670.db2.gz XFVYLGBPYXTGND-LBPRGKRZSA-N 1 2 277.372 1.659 20 30 CDEDLO Cc1nc([C@H]2CCC[N@H+](CC(=O)NCC3CC3)C2)n[nH]1 ZINC000329496096 390998672 /nfs/dbraw/zinc/99/86/72/390998672.db2.gz XFVYLGBPYXTGND-LBPRGKRZSA-N 1 2 277.372 1.659 20 30 CDEDLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)NCC3CC3)C2)n[nH]1 ZINC000329496096 390998675 /nfs/dbraw/zinc/99/86/75/390998675.db2.gz XFVYLGBPYXTGND-LBPRGKRZSA-N 1 2 277.372 1.659 20 30 CDEDLO [O-]C(NCC[C@@H]1CCOC1)=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329506060 391001682 /nfs/dbraw/zinc/00/16/82/391001682.db2.gz AMWIUMOHBQAIEZ-MNOVXSKESA-N 1 2 278.356 1.197 20 30 CDEDLO Cc1nc(C)c(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)s1 ZINC000329523036 391004593 /nfs/dbraw/zinc/00/45/93/391004593.db2.gz PRKCJLQTEXSXME-WDEREUQCSA-N 1 2 296.396 1.320 20 30 CDEDLO Cc1nc(C)c(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)s1 ZINC000329523036 391004595 /nfs/dbraw/zinc/00/45/95/391004595.db2.gz PRKCJLQTEXSXME-WDEREUQCSA-N 1 2 296.396 1.320 20 30 CDEDLO CN(C[C@@H]1CCCCO1)C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329613972 391032464 /nfs/dbraw/zinc/03/24/64/391032464.db2.gz OZJWOQSUDVCSKA-NEPJUHHUSA-N 1 2 292.383 1.682 20 30 CDEDLO C=C(C)C[N@@H+](C)CC(=O)N[C@H](Cc1ccccc1)C(C)=O ZINC000351068946 391033940 /nfs/dbraw/zinc/03/39/40/391033940.db2.gz ZCJMZDCZCQLYND-MRXNPFEDSA-N 1 2 288.391 1.811 20 30 CDEDLO C=C(C)C[N@H+](C)CC(=O)N[C@H](Cc1ccccc1)C(C)=O ZINC000351068946 391033942 /nfs/dbraw/zinc/03/39/42/391033942.db2.gz ZCJMZDCZCQLYND-MRXNPFEDSA-N 1 2 288.391 1.811 20 30 CDEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C1(C#N)CCC1 ZINC000408271608 391042273 /nfs/dbraw/zinc/04/22/73/391042273.db2.gz PVAIVDAHMTVQOG-UHFFFAOYSA-N 1 2 279.384 1.249 20 30 CDEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C1(C#N)CCC1 ZINC000408271608 391042278 /nfs/dbraw/zinc/04/22/78/391042278.db2.gz PVAIVDAHMTVQOG-UHFFFAOYSA-N 1 2 279.384 1.249 20 30 CDEDLO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352480489 391154996 /nfs/dbraw/zinc/15/49/96/391154996.db2.gz CNTAFOHWDVDVDQ-WDEREUQCSA-N 1 2 255.337 1.617 20 30 CDEDLO N#CC1(F)CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000352479812 391155527 /nfs/dbraw/zinc/15/55/27/391155527.db2.gz BVIGJITVDGCXLW-UHFFFAOYSA-N 1 2 267.348 1.763 20 30 CDEDLO CC#CCCCC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000345420464 391186176 /nfs/dbraw/zinc/18/61/76/391186176.db2.gz VTXDBJKRIUNJRK-CQSZACIVSA-N 1 2 266.385 1.359 20 30 CDEDLO C=CCCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376199194 391217298 /nfs/dbraw/zinc/21/72/98/391217298.db2.gz RIGIBOFBWGDTGI-OLZOCXBDSA-N 1 2 252.358 1.274 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366175330 391228083 /nfs/dbraw/zinc/22/80/83/391228083.db2.gz YVQXEKXWTVKHQO-OCCSQVGLSA-N 1 2 281.400 1.504 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366175330 391228087 /nfs/dbraw/zinc/22/80/87/391228087.db2.gz YVQXEKXWTVKHQO-OCCSQVGLSA-N 1 2 281.400 1.504 20 30 CDEDLO C=CCCCS(=O)(=O)N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000339069443 391249423 /nfs/dbraw/zinc/24/94/23/391249423.db2.gz VSJPORWTJIPELF-VXGBXAGGSA-N 1 2 260.403 1.307 20 30 CDEDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)s1 ZINC000353039196 391333616 /nfs/dbraw/zinc/33/36/16/391333616.db2.gz ICPVGPBCLYAZHE-RKDXNWHRSA-N 1 2 281.385 1.258 20 30 CDEDLO C=CCCCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000345777498 391312320 /nfs/dbraw/zinc/31/23/20/391312320.db2.gz LXBVZNBSZWIYKN-HUUCEWRRSA-N 1 2 295.427 1.847 20 30 CDEDLO C=CCSCCNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000339539991 391313289 /nfs/dbraw/zinc/31/32/89/391313289.db2.gz SFTRUKPBVIQFJE-LBPRGKRZSA-N 1 2 294.424 1.838 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000339751285 391344957 /nfs/dbraw/zinc/34/49/57/391344957.db2.gz KWAWQVCSMVESMY-UHFFFAOYSA-N 1 2 288.347 1.742 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000339751285 391344961 /nfs/dbraw/zinc/34/49/61/391344961.db2.gz KWAWQVCSMVESMY-UHFFFAOYSA-N 1 2 288.347 1.742 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NC(=O)Nc1cccc(C)c1C ZINC000339756470 391349371 /nfs/dbraw/zinc/34/93/71/391349371.db2.gz FQMYTFQVYTTYOW-UHFFFAOYSA-N 1 2 287.363 1.907 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NC(=O)Nc1cccc(C)c1C ZINC000339756470 391349373 /nfs/dbraw/zinc/34/93/73/391349373.db2.gz FQMYTFQVYTTYOW-UHFFFAOYSA-N 1 2 287.363 1.907 20 30 CDEDLO Cn1cncc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367057781 391453097 /nfs/dbraw/zinc/45/30/97/391453097.db2.gz NBEXGUILAALMSZ-UHFFFAOYSA-N 1 2 281.363 1.872 20 30 CDEDLO Cn1c[nH+]cc1CN1CCC(C#N)(c2ccccn2)CC1 ZINC000367057781 391453098 /nfs/dbraw/zinc/45/30/98/391453098.db2.gz NBEXGUILAALMSZ-UHFFFAOYSA-N 1 2 281.363 1.872 20 30 CDEDLO COc1cccc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)c1 ZINC000330622285 391460732 /nfs/dbraw/zinc/46/07/32/391460732.db2.gz NOLCDJQLTHOAOZ-GFCCVEGCSA-N 1 2 278.352 1.721 20 30 CDEDLO COc1cccc(C(=O)NCC[N@H+]2CCOC[C@H]2C)c1 ZINC000330622285 391460734 /nfs/dbraw/zinc/46/07/34/391460734.db2.gz NOLCDJQLTHOAOZ-GFCCVEGCSA-N 1 2 278.352 1.721 20 30 CDEDLO C=CC[N@H+](C)CCN(CC)CCn1cc[nH+]c1C ZINC000411647432 391501971 /nfs/dbraw/zinc/50/19/71/391501971.db2.gz YACISCJOKFDIJT-UHFFFAOYSA-N 1 2 250.390 1.631 20 30 CDEDLO C=CCN(C)CC[N@@H+](CC)CCn1cc[nH+]c1C ZINC000411647432 391501974 /nfs/dbraw/zinc/50/19/74/391501974.db2.gz YACISCJOKFDIJT-UHFFFAOYSA-N 1 2 250.390 1.631 20 30 CDEDLO C=CCN(CCC#N)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000359447854 391596669 /nfs/dbraw/zinc/59/66/69/391596669.db2.gz UGTLXHGOCSLUMI-LLVKDONJSA-N 1 2 258.325 1.758 20 30 CDEDLO COC[C@H](C)[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341808349 130070447 /nfs/dbraw/zinc/07/04/47/130070447.db2.gz KCWVEKAHRZOZHT-WFASDCNBSA-N 1 2 260.337 1.966 20 30 CDEDLO COC[C@H](C)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341808349 130070449 /nfs/dbraw/zinc/07/04/49/130070449.db2.gz KCWVEKAHRZOZHT-WFASDCNBSA-N 1 2 260.337 1.966 20 30 CDEDLO CNC(=O)Cc1noc(C[N@@H+]2CCOCC3(CCC3)C2)n1 ZINC000329770646 391775780 /nfs/dbraw/zinc/77/57/80/391775780.db2.gz GEXDSNDJJWCMBZ-UHFFFAOYSA-N 1 2 294.355 1.201 20 30 CDEDLO CNC(=O)Cc1noc(C[N@H+]2CCOCC3(CCC3)C2)n1 ZINC000329770646 391775782 /nfs/dbraw/zinc/77/57/82/391775782.db2.gz GEXDSNDJJWCMBZ-UHFFFAOYSA-N 1 2 294.355 1.201 20 30 CDEDLO N#CC1(C(=O)NCC2([NH+]3CCOCC3)CC2)CCC1 ZINC000329893667 391795873 /nfs/dbraw/zinc/79/58/73/391795873.db2.gz JQSVCYYYRZPXKH-UHFFFAOYSA-N 1 2 263.341 1.502 20 30 CDEDLO C[C@]1(C(=O)NCC2([NH+]3CCOCC3)CC2)CCOC1 ZINC000329901325 391796732 /nfs/dbraw/zinc/79/67/32/391796732.db2.gz GVALKMHHGHSPLT-ZDUSSCGKSA-N 1 2 268.357 1.234 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065426426 391997433 /nfs/dbraw/zinc/99/74/33/391997433.db2.gz FKQLNCNKNIFBEO-DOMZBBRYSA-N 1 2 281.400 1.540 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065426426 391997442 /nfs/dbraw/zinc/99/74/42/391997442.db2.gz FKQLNCNKNIFBEO-DOMZBBRYSA-N 1 2 281.400 1.540 20 30 CDEDLO C[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)CC[S@]1=O ZINC000334248358 392041716 /nfs/dbraw/zinc/04/17/16/392041716.db2.gz PKLTVCWXEBIBHT-KPZWWZAWSA-N 1 2 262.378 1.705 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CC[S@]1=O ZINC000334248358 392041723 /nfs/dbraw/zinc/04/17/23/392041723.db2.gz PKLTVCWXEBIBHT-KPZWWZAWSA-N 1 2 262.378 1.705 20 30 CDEDLO O=C1CC[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)CCN12 ZINC000334255020 392053667 /nfs/dbraw/zinc/05/36/67/392053667.db2.gz NOHIUBOGDIZCTI-OAHLLOKOSA-N 1 2 288.778 1.998 20 30 CDEDLO O=C1CC[C@@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)CCN12 ZINC000334255020 392053674 /nfs/dbraw/zinc/05/36/74/392053674.db2.gz NOHIUBOGDIZCTI-OAHLLOKOSA-N 1 2 288.778 1.998 20 30 CDEDLO COCC1(C#N)CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000343142477 392094744 /nfs/dbraw/zinc/09/47/44/392094744.db2.gz SYGZCZHZEAWSCJ-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/14/76/88/132147688.db2.gz ICTYDEFBKOWMIW-UHFFFAOYSA-N 1 2 296.411 1.851 20 30 CDEDLO COc1ccc[nH+]c1N(C)CCCc1[nH]nc(N)c1C#N ZINC000527833247 392991786 /nfs/dbraw/zinc/99/17/86/392991786.db2.gz OPDUDCNOWOGINE-UHFFFAOYSA-N 1 2 286.339 1.167 20 30 CDEDLO Cc1cc(SCC[NH+]2CCOCC2)c(C#N)cn1 ZINC000425204294 392992504 /nfs/dbraw/zinc/99/25/04/392992504.db2.gz GRJAONWJIDYOAA-UHFFFAOYSA-N 1 2 263.366 1.686 20 30 CDEDLO Cc1cc(NCCNC(=O)CC2CCCC2)c(C#N)c[nH+]1 ZINC000425221539 392996152 /nfs/dbraw/zinc/99/61/52/392996152.db2.gz GNQMEBLRSAVGNW-UHFFFAOYSA-N 1 2 286.379 1.792 20 30 CDEDLO Cc1cc(NCCCO[C@@H]2CCOC2)c(C#N)c[nH+]1 ZINC000425237623 393000144 /nfs/dbraw/zinc/00/01/44/393000144.db2.gz LVNWAZRWADIVCN-CYBMUJFWSA-N 1 2 261.325 1.291 20 30 CDEDLO COc1ccc([C@H](CO)CNc2cc(C)[nH+]cc2C#N)cc1 ZINC000425268633 393010134 /nfs/dbraw/zinc/01/01/34/393010134.db2.gz PHUIALSSCJKHFH-HNNXBMFYSA-N 1 2 297.358 1.880 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)s1 ZINC000494367516 393230647 /nfs/dbraw/zinc/23/06/47/393230647.db2.gz ZYUQJVRFAXDNOI-JTQLQIEISA-N 1 2 277.349 1.646 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)s1 ZINC000494367516 393230654 /nfs/dbraw/zinc/23/06/54/393230654.db2.gz ZYUQJVRFAXDNOI-JTQLQIEISA-N 1 2 277.349 1.646 20 30 CDEDLO C[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)C[C@@H](CO)O1 ZINC000229963147 140204175 /nfs/dbraw/zinc/20/41/75/140204175.db2.gz RYDWBSKRFGRQNI-DOMZBBRYSA-N 1 2 276.336 1.019 20 30 CDEDLO C[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)C[C@@H](CO)O1 ZINC000229963147 140204177 /nfs/dbraw/zinc/20/41/77/140204177.db2.gz RYDWBSKRFGRQNI-DOMZBBRYSA-N 1 2 276.336 1.019 20 30 CDEDLO N#CCc1ccc(CNc2nc[nH+]c3c2OCCN3)cc1 ZINC000591959936 398125923 /nfs/dbraw/zinc/12/59/23/398125923.db2.gz JMPXIKOLRWHZCZ-UHFFFAOYSA-N 1 2 281.319 1.381 20 30 CDEDLO N#CCc1ccc(CNc2[nH+]cnc3c2OCCN3)cc1 ZINC000591959936 398125928 /nfs/dbraw/zinc/12/59/28/398125928.db2.gz JMPXIKOLRWHZCZ-UHFFFAOYSA-N 1 2 281.319 1.381 20 30 CDEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc(C#N)s1 ZINC000335134061 150323863 /nfs/dbraw/zinc/32/38/63/150323863.db2.gz FQBREFIBTYGJMG-UWVGGRQHSA-N 1 2 263.366 1.784 20 30 CDEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc(C#N)s1 ZINC000335134061 150323868 /nfs/dbraw/zinc/32/38/68/150323868.db2.gz FQBREFIBTYGJMG-UWVGGRQHSA-N 1 2 263.366 1.784 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(C#N)cc1 ZINC000355506310 157087261 /nfs/dbraw/zinc/08/72/61/157087261.db2.gz LVAOPLGIYUVHAU-GFCCVEGCSA-N 1 2 288.351 1.400 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(C#N)cc1 ZINC000355506310 157087262 /nfs/dbraw/zinc/08/72/62/157087262.db2.gz LVAOPLGIYUVHAU-GFCCVEGCSA-N 1 2 288.351 1.400 20 30 CDEDLO C=C(CC)CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000665063729 413828968 /nfs/dbraw/zinc/82/89/68/413828968.db2.gz QCDOKXCUQITTID-QWHCGFSZSA-N 1 2 269.389 1.361 20 30 CDEDLO C=C(CC)CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000665063729 413828975 /nfs/dbraw/zinc/82/89/75/413828975.db2.gz QCDOKXCUQITTID-QWHCGFSZSA-N 1 2 269.389 1.361 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2c2nc(C)no2)C1=O ZINC000285728752 196379592 /nfs/dbraw/zinc/37/95/92/196379592.db2.gz QOACFFMHDQSIJT-OLZOCXBDSA-N 1 2 290.367 1.692 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2c2nc(C)no2)C1=O ZINC000285728752 196379593 /nfs/dbraw/zinc/37/95/93/196379593.db2.gz QOACFFMHDQSIJT-OLZOCXBDSA-N 1 2 290.367 1.692 20 30 CDEDLO C=CCCn1cc(CN[C@@H]2C[C@@H](C)n3cc[nH+]c32)nn1 ZINC000657485339 414385737 /nfs/dbraw/zinc/38/57/37/414385737.db2.gz ZKJSYGWOMCOJBS-DGCLKSJQSA-N 1 2 272.356 1.846 20 30 CDEDLO C=CCCn1cc(CN[C@H](C)c2[nH+]ccn2CC)nn1 ZINC000657482758 414388150 /nfs/dbraw/zinc/38/81/50/414388150.db2.gz HEYBKTKJWBHSNU-GFCCVEGCSA-N 1 2 274.372 1.921 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)nn1 ZINC000657498341 414398458 /nfs/dbraw/zinc/39/84/58/414398458.db2.gz QMSAIFPTQNVJGV-CYBMUJFWSA-N 1 2 291.399 1.343 20 30 CDEDLO CCOC(=O)N[C@@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000076509923 177030360 /nfs/dbraw/zinc/03/03/60/177030360.db2.gz IBRPHKFASZVULH-QWHCGFSZSA-N 1 2 278.356 1.640 20 30 CDEDLO CCOC(=O)N[C@@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000076509923 177030361 /nfs/dbraw/zinc/03/03/61/177030361.db2.gz IBRPHKFASZVULH-QWHCGFSZSA-N 1 2 278.356 1.640 20 30 CDEDLO C[S@@](=O)C[C@@H]([NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000347656764 226228262 /nfs/dbraw/zinc/22/82/62/226228262.db2.gz UGGLGVDWIGXMLN-FZKQIMNGSA-N 1 2 262.378 2.000 20 30 CDEDLO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000329054565 227275284 /nfs/dbraw/zinc/27/52/84/227275284.db2.gz SCSRHAIGNGRZJW-YPMHNXCESA-N 1 2 279.384 1.581 20 30 CDEDLO C[C@H](C(=O)NC1CCCC1)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000329054565 227275292 /nfs/dbraw/zinc/27/52/92/227275292.db2.gz SCSRHAIGNGRZJW-YPMHNXCESA-N 1 2 279.384 1.581 20 30 CDEDLO C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)CCO1 ZINC000329107074 227299768 /nfs/dbraw/zinc/29/97/68/227299768.db2.gz OYCCSQNMJRAXRY-OLZOCXBDSA-N 1 2 299.415 1.168 20 30 CDEDLO Cc1cnc([C@@H](C)N2CC[NH+](CC(=O)NC3CC3)CC2)o1 ZINC000329145387 227326170 /nfs/dbraw/zinc/32/61/70/227326170.db2.gz NRRWDFHGCHJFJQ-GFCCVEGCSA-N 1 2 292.383 1.781 20 30 CDEDLO Cn1ncc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1C1CC1 ZINC000330306779 228122266 /nfs/dbraw/zinc/12/22/66/228122266.db2.gz LLSRQWUVNRACLO-LLVKDONJSA-N 1 2 285.351 1.814 20 30 CDEDLO COC(=O)[C@@H]([C@@H](C)O)[N@H+](CCCC#N)Cc1ccccc1 ZINC000351968909 228170152 /nfs/dbraw/zinc/17/01/52/228170152.db2.gz TYBWYSJITMSZPM-UKRRQHHQSA-N 1 2 290.363 1.715 20 30 CDEDLO COC(=O)[C@@H]([C@@H](C)O)[N@@H+](CCCC#N)Cc1ccccc1 ZINC000351968909 228170153 /nfs/dbraw/zinc/17/01/53/228170153.db2.gz TYBWYSJITMSZPM-UKRRQHHQSA-N 1 2 290.363 1.715 20 30 CDEDLO N#Cc1ccc(N2CC[C@H]([NH2+][C@H]3CCC[C@@H]3C#N)C2=O)cc1 ZINC000333186127 228192271 /nfs/dbraw/zinc/19/22/71/228192271.db2.gz SYGAQJYVWCPPRM-KBMXLJTQSA-N 1 2 294.358 1.945 20 30 CDEDLO N#CC1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCCCC1 ZINC000333298832 228195986 /nfs/dbraw/zinc/19/59/86/228195986.db2.gz MAJKGXYAROQPIN-GFCCVEGCSA-N 1 2 272.352 1.788 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCc2noc(C3CC3)n2)cc1 ZINC000067098297 260250385 /nfs/dbraw/zinc/25/03/85/260250385.db2.gz JGYAHOOSGYBQOX-UHFFFAOYSA-N 1 2 288.307 1.793 20 30 CDEDLO CN(C)S(=O)(=O)c1ccc(C[N@H+](C)CCC#N)cc1 ZINC000131646103 260408914 /nfs/dbraw/zinc/40/89/14/260408914.db2.gz NOCHDBPPOCPMIX-UHFFFAOYSA-N 1 2 281.381 1.282 20 30 CDEDLO CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)CCC#N)cc1 ZINC000131646103 260408916 /nfs/dbraw/zinc/40/89/16/260408916.db2.gz NOCHDBPPOCPMIX-UHFFFAOYSA-N 1 2 281.381 1.282 20 30 CDEDLO C#C[C@H](NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1)C(C)C ZINC000491221064 261375759 /nfs/dbraw/zinc/37/57/59/261375759.db2.gz SLVPCVAQDITGMA-QWHCGFSZSA-N 1 2 274.368 1.828 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCCO[C@H]2CCCCO2)cc1 ZINC000192837488 262211373 /nfs/dbraw/zinc/21/13/73/262211373.db2.gz NGBHCENOTKTLEI-AWEZNQCLSA-N 1 2 294.351 1.875 20 30 CDEDLO N#CC1CC[NH+]([C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000111209687 262258317 /nfs/dbraw/zinc/25/83/17/262258317.db2.gz SDTJDCXHUUALFB-JTQLQIEISA-N 1 2 275.274 1.385 20 30 CDEDLO C#CCCCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000367746633 262275570 /nfs/dbraw/zinc/27/55/70/262275570.db2.gz OCSKTALAXOZTCC-ZIAGYGMSSA-N 1 2 264.369 1.112 20 30 CDEDLO C#CCCCC(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000365407223 262364476 /nfs/dbraw/zinc/36/44/76/262364476.db2.gz VHLFAXFOKFFJOA-UHFFFAOYSA-N 1 2 288.395 1.258 20 30 CDEDLO C#CCCCC(=O)N1CCC[N@@H+](Cc2nccn2C)CC1 ZINC000365407223 262364477 /nfs/dbraw/zinc/36/44/77/262364477.db2.gz VHLFAXFOKFFJOA-UHFFFAOYSA-N 1 2 288.395 1.258 20 30 CDEDLO C#CCCCC(=O)N1CCC[N@H+](Cc2nccn2C)CC1 ZINC000365407223 262364478 /nfs/dbraw/zinc/36/44/78/262364478.db2.gz VHLFAXFOKFFJOA-UHFFFAOYSA-N 1 2 288.395 1.258 20 30 CDEDLO Cc1nnc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)s1 ZINC000273606414 263018366 /nfs/dbraw/zinc/01/83/66/263018366.db2.gz MOSOPHGCYSDTTF-ZANVPECISA-N 1 2 295.412 1.552 20 30 CDEDLO N#CCC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279525640 263055806 /nfs/dbraw/zinc/05/58/06/263055806.db2.gz MFTWXRBXNSADLY-UHFFFAOYSA-N 1 2 272.352 1.839 20 30 CDEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCF)CC1=O ZINC000281970664 263073382 /nfs/dbraw/zinc/07/33/82/263073382.db2.gz YNPNDARRVLAJGC-UHFFFAOYSA-N 1 2 288.326 1.616 20 30 CDEDLO CO/N=C/C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000283147609 263081482 /nfs/dbraw/zinc/08/14/82/263081482.db2.gz VRLUQTKLHJEJFR-VIZOYTHASA-N 1 2 265.313 1.298 20 30 CDEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COc1ccccc1F ZINC000292340984 263131373 /nfs/dbraw/zinc/13/13/73/263131373.db2.gz WYCFJHDRUCTXCG-CYBMUJFWSA-N 1 2 278.327 1.967 20 30 CDEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COc1ccccc1F ZINC000292340984 263131374 /nfs/dbraw/zinc/13/13/74/263131374.db2.gz WYCFJHDRUCTXCG-CYBMUJFWSA-N 1 2 278.327 1.967 20 30 CDEDLO CO/N=C/C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000293568618 263143623 /nfs/dbraw/zinc/14/36/23/263143623.db2.gz IUQJPCPWBBCUCY-RQZCQDPDSA-N 1 2 286.335 1.928 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccccc1OCC#N ZINC000299167453 263232843 /nfs/dbraw/zinc/23/28/43/263232843.db2.gz RKOSKIHGFZHYRO-UHFFFAOYSA-N 1 2 284.319 1.595 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000121314256 263291953 /nfs/dbraw/zinc/29/19/53/263291953.db2.gz DXCZLJJRUMTEJP-UHFFFAOYSA-N 1 2 275.352 1.445 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000121314256 263291954 /nfs/dbraw/zinc/29/19/54/263291954.db2.gz DXCZLJJRUMTEJP-UHFFFAOYSA-N 1 2 275.352 1.445 20 30 CDEDLO C=CCOc1cccnc1C(=O)NCc1[nH+]ccn1C ZINC000341542247 263343301 /nfs/dbraw/zinc/34/33/01/263343301.db2.gz FDSMBIIKZKZQTE-UHFFFAOYSA-N 1 2 272.308 1.310 20 30 CDEDLO COCC1(C#N)CC[NH+]([C@@H](C(=O)OC)C2CC2)CC1 ZINC000341998571 263373839 /nfs/dbraw/zinc/37/38/39/263373839.db2.gz VBWQYMOTNARPSB-GFCCVEGCSA-N 1 2 266.341 1.190 20 30 CDEDLO C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C(=O)N1CCCC1 ZINC000328857548 263881355 /nfs/dbraw/zinc/88/13/55/263881355.db2.gz YEAZNDQHCGPMEZ-RYUDHWBXSA-N 1 2 290.367 1.413 20 30 CDEDLO C=CC[NH+](CC=C)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000051767120 264013784 /nfs/dbraw/zinc/01/37/84/264013784.db2.gz JFBIHGRXQBVDGA-AWEZNQCLSA-N 1 2 293.411 1.178 20 30 CDEDLO CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H](C)C#N ZINC000330728021 264036281 /nfs/dbraw/zinc/03/62/81/264036281.db2.gz GQHSBPSVUYGQED-ZDUSSCGKSA-N 1 2 276.384 1.811 20 30 CDEDLO CC[N@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H](C)C#N ZINC000330728021 264036284 /nfs/dbraw/zinc/03/62/84/264036284.db2.gz GQHSBPSVUYGQED-ZDUSSCGKSA-N 1 2 276.384 1.811 20 30 CDEDLO Cc1[nH]ncc1CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000330862086 264056124 /nfs/dbraw/zinc/05/61/24/264056124.db2.gz VOZNHUXTVHAKDB-ZDUSSCGKSA-N 1 2 293.415 1.842 20 30 CDEDLO Cc1[nH]ncc1CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000330862086 264056125 /nfs/dbraw/zinc/05/61/25/264056125.db2.gz VOZNHUXTVHAKDB-ZDUSSCGKSA-N 1 2 293.415 1.842 20 30 CDEDLO Cc1cc(C)c(NC(=O)NC[C@@H](C)CO)c(C)[nH+]1 ZINC000331307124 264201479 /nfs/dbraw/zinc/20/14/79/264201479.db2.gz GJUBABCLEHKZII-MRVPVSSYSA-N 1 2 251.330 1.961 20 30 CDEDLO CCNC(=O)C[N@H+](CC)CC#Cc1ccc(F)cc1 ZINC000126743740 264215031 /nfs/dbraw/zinc/21/50/31/264215031.db2.gz GITKFPGKXRHHBW-UHFFFAOYSA-N 1 2 262.328 1.635 20 30 CDEDLO CCNC(=O)C[N@@H+](CC)CC#Cc1ccc(F)cc1 ZINC000126743740 264215033 /nfs/dbraw/zinc/21/50/33/264215033.db2.gz GITKFPGKXRHHBW-UHFFFAOYSA-N 1 2 262.328 1.635 20 30 CDEDLO C=C[C@@H](C)NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000128554984 264290494 /nfs/dbraw/zinc/29/04/94/264290494.db2.gz XUPXGPMMKIUFGA-CYBMUJFWSA-N 1 2 274.368 1.483 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425499978 264362828 /nfs/dbraw/zinc/36/28/28/264362828.db2.gz KROVZIAZILNIDQ-QWHCGFSZSA-N 1 2 258.329 1.359 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425499978 264362829 /nfs/dbraw/zinc/36/28/29/264362829.db2.gz KROVZIAZILNIDQ-QWHCGFSZSA-N 1 2 258.329 1.359 20 30 CDEDLO C=CCC(C)(C)CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661232938 424064059 /nfs/dbraw/zinc/06/40/59/424064059.db2.gz QWVOZGGLVPZDPK-CQSZACIVSA-N 1 2 295.427 1.705 20 30 CDEDLO C=C[C@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000356847669 266189226 /nfs/dbraw/zinc/18/92/26/266189226.db2.gz LIYHJSZIHQGVEG-GFCCVEGCSA-N 1 2 257.293 1.149 20 30 CDEDLO C=CCCS(=O)(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000369340476 267236654 /nfs/dbraw/zinc/23/66/54/267236654.db2.gz XGUKDPSBEMMFPQ-GFCCVEGCSA-N 1 2 283.397 1.505 20 30 CDEDLO CCn1cc[nH+]c1CNC(=O)Cc1cccc(C#N)c1 ZINC000519083008 267256884 /nfs/dbraw/zinc/25/68/84/267256884.db2.gz QFAYQDILBUQLGM-UHFFFAOYSA-N 1 2 268.320 1.634 20 30 CDEDLO CN(C(=O)C=Cc1c[nH]c[nH+]1)c1cccc(C#N)c1 ZINC000492859968 267270389 /nfs/dbraw/zinc/27/03/89/267270389.db2.gz HFRYRERADOSDMF-WAYWQWQTSA-N 1 2 252.277 1.958 20 30 CDEDLO Cc1cc(NCC2([S@@](C)=O)CCC2)c(C#N)c[nH+]1 ZINC000399431671 267300459 /nfs/dbraw/zinc/30/04/59/267300459.db2.gz IVZJJVYRLZVRAA-GOSISDBHSA-N 1 2 263.366 1.397 20 30 CDEDLO CC#CC[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000120083493 267357171 /nfs/dbraw/zinc/35/71/71/267357171.db2.gz YPEHJRNVZHIZBZ-UHFFFAOYSA-N 1 2 252.255 1.528 20 30 CDEDLO C[C@H]1C[C@@H](CO)C[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000398822689 270362101 /nfs/dbraw/zinc/36/21/01/270362101.db2.gz NUOURXODRPMRQP-WDEREUQCSA-N 1 2 293.392 1.509 20 30 CDEDLO C[C@H]1C[C@@H](CO)C[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000398822689 270362103 /nfs/dbraw/zinc/36/21/03/270362103.db2.gz NUOURXODRPMRQP-WDEREUQCSA-N 1 2 293.392 1.509 20 30 CDEDLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1cccc(C#N)c1 ZINC000069862792 278214857 /nfs/dbraw/zinc/21/48/57/278214857.db2.gz RZTGCCPGDNYOJY-LLVKDONJSA-N 1 2 266.366 1.423 20 30 CDEDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000069862792 278214861 /nfs/dbraw/zinc/21/48/61/278214861.db2.gz RZTGCCPGDNYOJY-LLVKDONJSA-N 1 2 266.366 1.423 20 30 CDEDLO Cn1c(CCNc2cc(C#N)ncn2)[nH+]c2ccc(F)cc21 ZINC000569539227 294195122 /nfs/dbraw/zinc/19/51/22/294195122.db2.gz BAISJPMAXAATHT-UHFFFAOYSA-N 1 2 296.309 1.451 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cn1)C[C@@H](O)C(F)(F)F ZINC000574529639 295014676 /nfs/dbraw/zinc/01/46/76/295014676.db2.gz HNDXXAVENOQXPG-SNVBAGLBSA-N 1 2 259.231 1.308 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cn1)C[C@@H](O)C(F)(F)F ZINC000574529639 295014678 /nfs/dbraw/zinc/01/46/78/295014678.db2.gz HNDXXAVENOQXPG-SNVBAGLBSA-N 1 2 259.231 1.308 20 30 CDEDLO [O-]C(N[C@H]1CC[N@@H+](C2CC2)C1)=[NH+][C@@H]1CCc2c[nH]nc2C1 ZINC000329827366 295383692 /nfs/dbraw/zinc/38/36/92/295383692.db2.gz IYRULLODLINIPA-NEPJUHHUSA-N 1 2 289.383 1.007 20 30 CDEDLO [O-]C(N[C@H]1CC[N@H+](C2CC2)C1)=[NH+][C@@H]1CCc2c[nH]nc2C1 ZINC000329827366 295383693 /nfs/dbraw/zinc/38/36/93/295383693.db2.gz IYRULLODLINIPA-NEPJUHHUSA-N 1 2 289.383 1.007 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@]12CCNC2=O ZINC000563362160 316269254 /nfs/dbraw/zinc/26/92/54/316269254.db2.gz ADDRAJSJFLRFJW-HNNXBMFYSA-N 1 2 273.311 1.552 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@]12CCNC2=O ZINC000563362160 316269256 /nfs/dbraw/zinc/26/92/56/316269256.db2.gz ADDRAJSJFLRFJW-HNNXBMFYSA-N 1 2 273.311 1.552 20 30 CDEDLO Cc1cc(N2CCC[C@@H](N3CCCC3=O)C2)c(C#N)c[nH+]1 ZINC000576509884 317151762 /nfs/dbraw/zinc/15/17/62/317151762.db2.gz JXZZTAWUTUQSET-CQSZACIVSA-N 1 2 284.363 1.853 20 30 CDEDLO N#Cc1cnn2cc(C[N@@H+]3CCOC[C@@H]3C3CCC3)cnc12 ZINC000576756074 317200860 /nfs/dbraw/zinc/20/08/60/317200860.db2.gz GAPQABCPJCXTEG-OAHLLOKOSA-N 1 2 297.362 1.602 20 30 CDEDLO N#Cc1cnn2cc(C[N@H+]3CCOC[C@@H]3C3CCC3)cnc12 ZINC000576756074 317200864 /nfs/dbraw/zinc/20/08/64/317200864.db2.gz GAPQABCPJCXTEG-OAHLLOKOSA-N 1 2 297.362 1.602 20 30 CDEDLO CC(=O)NCC[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000577749147 317397645 /nfs/dbraw/zinc/39/76/45/317397645.db2.gz ODDGYEYCDBPVGJ-UHFFFAOYSA-N 1 2 270.336 1.379 20 30 CDEDLO CC(=O)NCC[N@H+](C)Cc1cn2ccccc2c1C#N ZINC000577749147 317397649 /nfs/dbraw/zinc/39/76/49/317397649.db2.gz ODDGYEYCDBPVGJ-UHFFFAOYSA-N 1 2 270.336 1.379 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCCc1c(F)cccc1F ZINC000563368209 328059733 /nfs/dbraw/zinc/05/97/33/328059733.db2.gz TWTNXLMNOHRBBN-NSHDSACASA-N 1 2 295.333 1.905 20 30 CDEDLO CO[C@H](C)c1nc(CO[NH+]=C(N)[C@@H]2CCCO2)cs1 ZINC000284430227 328245769 /nfs/dbraw/zinc/24/57/69/328245769.db2.gz OPZWQXIZDXKIAO-SCZZXKLOSA-N 1 2 285.369 1.818 20 30 CDEDLO C[C@H](NC(=O)CO[NH+]=C(N)[C@H]1CCCO1)c1cccs1 ZINC000284596535 328246406 /nfs/dbraw/zinc/24/64/06/328246406.db2.gz YHEPESJCKYGJIO-VHSXEESVSA-N 1 2 297.380 1.393 20 30 CDEDLO N#CCCCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000291835761 328266691 /nfs/dbraw/zinc/26/66/91/328266691.db2.gz FCKJVBBRJXOSKD-GFCCVEGCSA-N 1 2 258.325 1.470 20 30 CDEDLO N#Cc1ccc(C(=O)Nc2c[nH+]c3n2CCCC3)nc1 ZINC000580157504 324382111 /nfs/dbraw/zinc/38/21/11/324382111.db2.gz LQBZVGDXTGZPNF-UHFFFAOYSA-N 1 2 267.292 1.738 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cc(F)cc2c1OCOC2 ZINC000076185889 328485770 /nfs/dbraw/zinc/48/57/70/328485770.db2.gz HFLYWUWTIJWMOS-UHFFFAOYSA-N 1 2 259.280 1.761 20 30 CDEDLO C[C@@H](C#N)NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255602138 326997681 /nfs/dbraw/zinc/99/76/81/326997681.db2.gz LCYRTEKJIKYRMN-KMSCOEIWSA-N 1 2 266.304 1.914 20 30 CDEDLO N#CCC1(CNc2nc(N)c3ccccc3[nH+]2)CC1 ZINC000563928188 328837115 /nfs/dbraw/zinc/83/71/15/328837115.db2.gz LJAVUUTZBVHHDW-UHFFFAOYSA-N 1 2 253.309 1.570 20 30 CDEDLO C[C@H](NC(=O)NCCCCC#N)[C@H](C)[NH+]1CCOCC1 ZINC000171689548 329078348 /nfs/dbraw/zinc/07/83/48/329078348.db2.gz VITSVUPCIMYSHT-STQMWFEESA-N 1 2 282.388 1.089 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000180579821 329220963 /nfs/dbraw/zinc/22/09/63/329220963.db2.gz HLPNFNFLCKEFDI-LBPRGKRZSA-N 1 2 270.327 1.703 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@H+]1CCCN(CC(F)F)CC1 ZINC000180579821 329220962 /nfs/dbraw/zinc/22/09/62/329220962.db2.gz HLPNFNFLCKEFDI-LBPRGKRZSA-N 1 2 270.327 1.703 20 30 CDEDLO CC#CCCCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000185129165 329268515 /nfs/dbraw/zinc/26/85/15/329268515.db2.gz KZBFZBDUGODZQW-CYBMUJFWSA-N 1 2 252.358 1.017 20 30 CDEDLO COc1ccc(C[C@@H](C)C[NH+]2CC(O)(CC#N)C2)cc1F ZINC000191915039 329422017 /nfs/dbraw/zinc/42/20/17/329422017.db2.gz DMUJBQPEOQAHQM-GFCCVEGCSA-N 1 2 292.354 1.973 20 30 CDEDLO C=CCNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000047605239 329620029 /nfs/dbraw/zinc/62/00/29/329620029.db2.gz SOFYKUMXNGQZGG-GFCCVEGCSA-N 1 2 290.367 1.292 20 30 CDEDLO C=CCN(CCOC)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000572290601 329972608 /nfs/dbraw/zinc/97/26/08/329972608.db2.gz ZQOFSWUHIRWTCI-GFCCVEGCSA-N 1 2 263.341 1.107 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(OCCF)c1 ZINC000572394569 330057747 /nfs/dbraw/zinc/05/77/47/330057747.db2.gz JHCCFBUUPCCRFJ-CQSZACIVSA-N 1 2 295.358 1.653 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(OCCF)c1 ZINC000572394569 330057748 /nfs/dbraw/zinc/05/77/48/330057748.db2.gz JHCCFBUUPCCRFJ-CQSZACIVSA-N 1 2 295.358 1.653 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000527191518 330231920 /nfs/dbraw/zinc/23/19/20/330231920.db2.gz FCWLKVHIRKCWAP-OCCSQVGLSA-N 1 2 254.374 1.426 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000527191518 330231921 /nfs/dbraw/zinc/23/19/21/330231921.db2.gz FCWLKVHIRKCWAP-OCCSQVGLSA-N 1 2 254.374 1.426 20 30 CDEDLO COC(=O)[C@H](CS)Nc1cccc(-c2c[nH+]cn2C)c1 ZINC001167623149 1159166559 /nfs/dbraw/zinc/16/65/59/1159166559.db2.gz GHHYHNICDWXAAI-LBPRGKRZSA-N 1 2 291.376 1.970 20 30 CDEDLO C=CCNc1ncc(C(=O)N2CC(n3cc[nH+]c3)C2)s1 ZINC000533220468 330353573 /nfs/dbraw/zinc/35/35/73/330353573.db2.gz KQUXPADTOGDBLL-UHFFFAOYSA-N 1 2 289.364 1.057 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000090009757 330389897 /nfs/dbraw/zinc/38/98/97/330389897.db2.gz FFAKQAGXPAEHRM-AWEZNQCLSA-N 1 2 266.385 1.522 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOC[C@H]1C1CC1 ZINC000090009757 330389898 /nfs/dbraw/zinc/38/98/98/330389898.db2.gz FFAKQAGXPAEHRM-AWEZNQCLSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433928011 330632974 /nfs/dbraw/zinc/63/29/74/330632974.db2.gz WFTUDVPGRJANBQ-AWEZNQCLSA-N 1 2 295.427 1.895 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000450117515 330962398 /nfs/dbraw/zinc/96/23/98/330962398.db2.gz UBSBZJAAAQMSKB-TUVASFSCSA-N 1 2 289.379 1.884 20 30 CDEDLO N#CCCC[N@H+]1CCCC[C@H]1C(=O)NCC(F)F ZINC000451792562 331042088 /nfs/dbraw/zinc/04/20/88/331042088.db2.gz BPKFIXZFEHBXNO-JTQLQIEISA-N 1 2 259.300 1.526 20 30 CDEDLO N#CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC(F)F ZINC000451792562 331042089 /nfs/dbraw/zinc/04/20/89/331042089.db2.gz BPKFIXZFEHBXNO-JTQLQIEISA-N 1 2 259.300 1.526 20 30 CDEDLO C=CCn1cccc1C(=O)NCc1[nH+]ccn1CC ZINC000452572356 331069397 /nfs/dbraw/zinc/06/93/97/331069397.db2.gz STIFEJMHDBDICO-UHFFFAOYSA-N 1 2 258.325 1.821 20 30 CDEDLO C=C(C)CCNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000453882068 331138564 /nfs/dbraw/zinc/13/85/64/331138564.db2.gz RGQJWYPZHHVVFQ-UHFFFAOYSA-N 1 2 261.325 1.719 20 30 CDEDLO C=C(CC)CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000455549417 331172798 /nfs/dbraw/zinc/17/27/98/331172798.db2.gz XCOATUBWBDJFHR-KBPBESRZSA-N 1 2 281.400 1.457 20 30 CDEDLO C=C(C)CCNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000459009291 331266223 /nfs/dbraw/zinc/26/62/23/331266223.db2.gz VODJAHSHINKDBH-UHFFFAOYSA-N 1 2 277.372 1.203 20 30 CDEDLO CC(C)(CC#N)CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000459246487 331272915 /nfs/dbraw/zinc/27/29/15/331272915.db2.gz VWOFQMXJXCXSQD-BETUJISGSA-N 1 2 294.399 1.089 20 30 CDEDLO CC(C)(CC#N)CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000459246487 331272916 /nfs/dbraw/zinc/27/29/16/331272916.db2.gz VWOFQMXJXCXSQD-BETUJISGSA-N 1 2 294.399 1.089 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cnc2nc(C)cc(C)n12 ZINC000490916647 332128869 /nfs/dbraw/zinc/12/88/69/332128869.db2.gz UBQQVQXWDRVVPE-UHFFFAOYSA-N 1 2 266.348 1.805 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cnc2nc(C)cc(C)n12 ZINC000490916647 332128870 /nfs/dbraw/zinc/12/88/70/332128870.db2.gz UBQQVQXWDRVVPE-UHFFFAOYSA-N 1 2 266.348 1.805 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000491286081 332181330 /nfs/dbraw/zinc/18/13/30/332181330.db2.gz GVUUNHAHJAEBGU-LLVKDONJSA-N 1 2 258.321 1.781 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000491286081 332181332 /nfs/dbraw/zinc/18/13/32/332181332.db2.gz GVUUNHAHJAEBGU-LLVKDONJSA-N 1 2 258.321 1.781 20 30 CDEDLO C#C[C@H](CC)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000491303820 332185734 /nfs/dbraw/zinc/18/57/34/332185734.db2.gz CLBAVNCNRSWJIG-GFCCVEGCSA-N 1 2 274.368 1.473 20 30 CDEDLO C#CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CCCC1 ZINC000491623406 332248116 /nfs/dbraw/zinc/24/81/16/332248116.db2.gz IXLFRZPVVNRLQU-GFCCVEGCSA-N 1 2 259.353 1.993 20 30 CDEDLO C#CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CCCC1 ZINC000491623406 332248117 /nfs/dbraw/zinc/24/81/17/332248117.db2.gz IXLFRZPVVNRLQU-GFCCVEGCSA-N 1 2 259.353 1.993 20 30 CDEDLO C#CC[N@@H+](CCOc1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000491671381 332278222 /nfs/dbraw/zinc/27/82/22/332278222.db2.gz NNXQQKGWPHMBQY-UHFFFAOYSA-N 1 2 293.388 1.567 20 30 CDEDLO C#CC[N@H+](CCOc1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000491671381 332278224 /nfs/dbraw/zinc/27/82/24/332278224.db2.gz NNXQQKGWPHMBQY-UHFFFAOYSA-N 1 2 293.388 1.567 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NCc1ccc(C)cc1 ZINC000491673685 332279816 /nfs/dbraw/zinc/27/98/16/332279816.db2.gz USIVOKBBOJMRHC-HNNXBMFYSA-N 1 2 268.360 1.568 20 30 CDEDLO C#C[C@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C(C)(C)C ZINC000491736147 332316441 /nfs/dbraw/zinc/31/64/41/332316441.db2.gz AAVIQYCGKBEGMT-LBPRGKRZSA-N 1 2 298.346 1.437 20 30 CDEDLO C#C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000491761897 332332095 /nfs/dbraw/zinc/33/20/95/332332095.db2.gz XXEDMJKGRZQBTD-CYBMUJFWSA-N 1 2 271.295 1.972 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000491807928 332361188 /nfs/dbraw/zinc/36/11/88/332361188.db2.gz UVFCAIBCUQWMNK-CYBMUJFWSA-N 1 2 269.348 1.577 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000491807928 332361190 /nfs/dbraw/zinc/36/11/90/332361190.db2.gz UVFCAIBCUQWMNK-CYBMUJFWSA-N 1 2 269.348 1.577 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000491820422 332370215 /nfs/dbraw/zinc/37/02/15/332370215.db2.gz RJVLVFMSHUWIQJ-ZDUSSCGKSA-N 1 2 286.379 1.845 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)/C=C/c1[nH+]ccn1CC ZINC000492302113 332391572 /nfs/dbraw/zinc/39/15/72/332391572.db2.gz XORYRPBSDVKTGN-NNNHXZLVSA-N 1 2 260.341 1.924 20 30 CDEDLO C=CCN(CC=C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000193588045 333253799 /nfs/dbraw/zinc/25/37/99/333253799.db2.gz KXLOHXUHRVLURL-CYBMUJFWSA-N 1 2 267.373 1.091 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2ccccc2CC=C)CC1 ZINC000128266497 333647384 /nfs/dbraw/zinc/64/73/84/333647384.db2.gz MFAGFNUPTBCHCZ-UHFFFAOYSA-N 1 2 298.386 1.571 20 30 CDEDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)o1 ZINC000543541798 333879732 /nfs/dbraw/zinc/87/97/32/333879732.db2.gz ROVAIUHEBFKJBI-BHDSKKPTSA-N 1 2 293.371 1.472 20 30 CDEDLO C[C@@H]1CCC[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000566976265 334671651 /nfs/dbraw/zinc/67/16/51/334671651.db2.gz KQMSNGIUWZIILZ-DYEKYZERSA-N 1 2 251.374 1.773 20 30 CDEDLO N#C[C@@H]1CC[C@@H](Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000576456687 335205313 /nfs/dbraw/zinc/20/53/13/335205313.db2.gz WCCMBFJOZWQMGC-ZIAGYGMSSA-N 1 2 289.383 1.319 20 30 CDEDLO C=CCCn1cc(C(=O)Nc2cc(C)[nH+]cc2C)nn1 ZINC000577948505 335433297 /nfs/dbraw/zinc/43/32/97/335433297.db2.gz IHYWDMLKGQSWHP-UHFFFAOYSA-N 1 2 271.324 1.540 20 30 CDEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000693969939 1159358554 /nfs/dbraw/zinc/35/85/54/1159358554.db2.gz GNHWYSGFNFOBRI-HIFRSBDPSA-N 1 2 255.321 1.827 20 30 CDEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC000693969939 1159358563 /nfs/dbraw/zinc/35/85/63/1159358563.db2.gz GNHWYSGFNFOBRI-HIFRSBDPSA-N 1 2 255.321 1.827 20 30 CDEDLO COCC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000586062718 1160143324 /nfs/dbraw/zinc/14/33/24/1160143324.db2.gz JKCTUFFCHABWKS-HNNXBMFYSA-N 1 2 287.363 1.285 20 30 CDEDLO COCC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000586062718 1160143327 /nfs/dbraw/zinc/14/33/27/1160143327.db2.gz JKCTUFFCHABWKS-HNNXBMFYSA-N 1 2 287.363 1.285 20 30 CDEDLO CC(=O)c1ccc(C#N)c(N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000680374598 483601373 /nfs/dbraw/zinc/60/13/73/483601373.db2.gz ILNWTPUATMTNAL-INIZCTEOSA-N 1 2 299.374 1.672 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N(CC)CCNc1cc[nH+]c(C)n1 ZINC001106744009 1161171825 /nfs/dbraw/zinc/17/18/25/1161171825.db2.gz AZTPDPICCBGCHP-OAHLLOKOSA-N 1 2 292.383 1.373 20 30 CDEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)CCOC ZINC001231010501 1161925354 /nfs/dbraw/zinc/92/53/54/1161925354.db2.gz NXDUMDXYKCASEH-UHFFFAOYSA-N 1 2 293.205 1.370 20 30 CDEDLO C=C(Br)C[N@H+](C)CCCNC(=O)CCOC ZINC001231010501 1161925358 /nfs/dbraw/zinc/92/53/58/1161925358.db2.gz NXDUMDXYKCASEH-UHFFFAOYSA-N 1 2 293.205 1.370 20 30 CDEDLO C=CCCC(=O)NCC[N@@H+](C)Cc1ccns1 ZINC001753045573 1185012689 /nfs/dbraw/zinc/01/26/89/1185012689.db2.gz WCMSYLDAOLMMKG-UHFFFAOYSA-N 1 2 253.371 1.657 20 30 CDEDLO C=CCCC(=O)NCC[N@H+](C)Cc1ccns1 ZINC001753045573 1185012697 /nfs/dbraw/zinc/01/26/97/1185012697.db2.gz WCMSYLDAOLMMKG-UHFFFAOYSA-N 1 2 253.371 1.657 20 30 CDEDLO C=CC[N@@H+](CC(=O)NCCC(=O)OC)Cc1cccs1 ZINC000067443889 518755788 /nfs/dbraw/zinc/75/57/88/518755788.db2.gz XJZSIYPGRVWGIW-UHFFFAOYSA-N 1 2 296.392 1.415 20 30 CDEDLO C=CC[N@H+](CC(=O)NCCC(=O)OC)Cc1cccs1 ZINC000067443889 518755793 /nfs/dbraw/zinc/75/57/93/518755793.db2.gz XJZSIYPGRVWGIW-UHFFFAOYSA-N 1 2 296.392 1.415 20 30 CDEDLO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2sccc2C#N)[C@@H](C)C1 ZINC000186947678 525793399 /nfs/dbraw/zinc/79/33/99/525793399.db2.gz NSNZLOHEKIBUGH-WDEREUQCSA-N 1 2 293.392 1.147 20 30 CDEDLO C[C@@H](O)C[N@H+]1CCN(C(=O)c2sccc2C#N)[C@@H](C)C1 ZINC000186947678 525793406 /nfs/dbraw/zinc/79/34/06/525793406.db2.gz NSNZLOHEKIBUGH-WDEREUQCSA-N 1 2 293.392 1.147 20 30 CDEDLO N#Cc1ccc(OCC[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)cc1 ZINC000246663897 526673483 /nfs/dbraw/zinc/67/34/83/526673483.db2.gz QCEHMZVSCKNJIZ-JKSUJKDBSA-N 1 2 299.374 1.680 20 30 CDEDLO N#Cc1ccc(OCC[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)cc1 ZINC000246663897 526673490 /nfs/dbraw/zinc/67/34/90/526673490.db2.gz QCEHMZVSCKNJIZ-JKSUJKDBSA-N 1 2 299.374 1.680 20 30 CDEDLO N#Cc1ccccc1OCC[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000246540833 526746398 /nfs/dbraw/zinc/74/63/98/526746398.db2.gz JQVOLPQPLAWEPO-LSDHHAIUSA-N 1 2 299.374 1.680 20 30 CDEDLO N#Cc1ccccc1OCC[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000246540833 526746403 /nfs/dbraw/zinc/74/64/03/526746403.db2.gz JQVOLPQPLAWEPO-LSDHHAIUSA-N 1 2 299.374 1.680 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000350658069 526990953 /nfs/dbraw/zinc/99/09/53/526990953.db2.gz KMURBOPWQNPAGR-UHFFFAOYSA-N 1 2 266.385 1.570 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347360484 527933765 /nfs/dbraw/zinc/93/37/65/527933765.db2.gz IEVSMKKANSUNID-VHDGCEQUSA-N 1 2 299.390 1.226 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@](F)(CO)C1 ZINC000347360484 527933771 /nfs/dbraw/zinc/93/37/71/527933771.db2.gz IEVSMKKANSUNID-VHDGCEQUSA-N 1 2 299.390 1.226 20 30 CDEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C)C#N)C2 ZINC000336537370 528325037 /nfs/dbraw/zinc/32/50/37/528325037.db2.gz WLRSATVIUYWMTA-NXEZZACHSA-N 1 2 260.341 1.666 20 30 CDEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C)C#N)CC2 ZINC000336537370 528325045 /nfs/dbraw/zinc/32/50/45/528325045.db2.gz WLRSATVIUYWMTA-NXEZZACHSA-N 1 2 260.341 1.666 20 30 CDEDLO CCN(C[C@@H]1CCCO1)C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330283948 528673024 /nfs/dbraw/zinc/67/30/24/528673024.db2.gz WUSPVQLCRIOJNE-OLZOCXBDSA-N 1 2 292.383 1.613 20 30 CDEDLO CC[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1cnn(C)c1 ZINC000195518594 535775928 /nfs/dbraw/zinc/77/59/28/535775928.db2.gz SWAQHCPEBIMAQX-UHFFFAOYSA-N 1 2 297.362 1.752 20 30 CDEDLO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1cnn(C)c1 ZINC000195518594 535775930 /nfs/dbraw/zinc/77/59/30/535775930.db2.gz SWAQHCPEBIMAQX-UHFFFAOYSA-N 1 2 297.362 1.752 20 30 CDEDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000426438575 536684586 /nfs/dbraw/zinc/68/45/86/536684586.db2.gz DOOOSCZDXWDTMD-LLVKDONJSA-N 1 2 293.392 1.896 20 30 CDEDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000426438575 536684594 /nfs/dbraw/zinc/68/45/94/536684594.db2.gz DOOOSCZDXWDTMD-LLVKDONJSA-N 1 2 293.392 1.896 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC2CCOCC2)C1 ZINC000328857020 538442263 /nfs/dbraw/zinc/44/22/63/538442263.db2.gz KKGCHJHDIFUUAU-NSHDSACASA-N 1 2 278.356 1.302 20 30 CDEDLO CCCCC[C@@H](C)NC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000760943962 576527773 /nfs/dbraw/zinc/52/77/73/576527773.db2.gz NSMFZQNXAKJICT-OAHLLOKOSA-N 1 2 294.443 1.603 20 30 CDEDLO C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1O)[C@H]1C[N@H+](C)CCO1 ZINC000769774343 575383073 /nfs/dbraw/zinc/38/30/73/575383073.db2.gz RNAJWTVHUPDVDK-IUYSQWDXSA-N 1 2 293.323 1.438 20 30 CDEDLO C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1O)[C@H]1C[N@@H+](C)CCO1 ZINC000769774343 575383074 /nfs/dbraw/zinc/38/30/74/575383074.db2.gz RNAJWTVHUPDVDK-IUYSQWDXSA-N 1 2 293.323 1.438 20 30 CDEDLO C=CCN(C(=O)NCC[N@@H+]1CCO[C@H](C)C1)C1CC1 ZINC000772454145 575705603 /nfs/dbraw/zinc/70/56/03/575705603.db2.gz RMFZBXRDWNAZGF-GFCCVEGCSA-N 1 2 267.373 1.067 20 30 CDEDLO C=CCN(C(=O)NCC[N@H+]1CCO[C@H](C)C1)C1CC1 ZINC000772454145 575705605 /nfs/dbraw/zinc/70/56/05/575705605.db2.gz RMFZBXRDWNAZGF-GFCCVEGCSA-N 1 2 267.373 1.067 20 30 CDEDLO CC1(C)CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766637786 576118142 /nfs/dbraw/zinc/11/81/42/576118142.db2.gz QADNZLWEQUDRGT-UHFFFAOYSA-N 1 2 271.364 1.898 20 30 CDEDLO CC1(C)CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766637786 576118143 /nfs/dbraw/zinc/11/81/43/576118143.db2.gz QADNZLWEQUDRGT-UHFFFAOYSA-N 1 2 271.364 1.898 20 30 CDEDLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000759716594 576422228 /nfs/dbraw/zinc/42/22/28/576422228.db2.gz ATKOCDXLXSQWAF-LBPRGKRZSA-N 1 2 259.309 1.687 20 30 CDEDLO C[N@H+]1CCCC[C@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000759716594 576422231 /nfs/dbraw/zinc/42/22/31/576422231.db2.gz ATKOCDXLXSQWAF-LBPRGKRZSA-N 1 2 259.309 1.687 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)Cc1cccc(OCC#N)c1 ZINC000760520164 576490789 /nfs/dbraw/zinc/49/07/89/576490789.db2.gz RBDFWNBAPFVDJP-UHFFFAOYSA-N 1 2 284.319 1.513 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761072883 576541206 /nfs/dbraw/zinc/54/12/06/576541206.db2.gz FOYNLEONUIWCMT-ZIAGYGMSSA-N 1 2 265.401 1.211 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN(C)[C@H](C)C1 ZINC000761072883 576541207 /nfs/dbraw/zinc/54/12/07/576541207.db2.gz FOYNLEONUIWCMT-ZIAGYGMSSA-N 1 2 265.401 1.211 20 30 CDEDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000741246619 576546179 /nfs/dbraw/zinc/54/61/79/576546179.db2.gz KRNLXJYDYCWGPB-AWEZNQCLSA-N 1 2 274.320 1.322 20 30 CDEDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000741246619 576546180 /nfs/dbraw/zinc/54/61/80/576546180.db2.gz KRNLXJYDYCWGPB-AWEZNQCLSA-N 1 2 274.320 1.322 20 30 CDEDLO Cc1nn(C)cc1C(C)N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761836145 576596808 /nfs/dbraw/zinc/59/68/08/576596808.db2.gz NUTYDRQRWXDJAV-UHFFFAOYSA-N 1 2 296.338 1.540 20 30 CDEDLO COCC(N=Nc1ccc(-n2cc[nH+]c2)nn1)C(C)C ZINC000761857071 576598274 /nfs/dbraw/zinc/59/82/74/576598274.db2.gz GTDZYPQCZFLDCK-UHFFFAOYSA-N 1 2 274.328 1.733 20 30 CDEDLO C#CCNC(=O)C[N@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000743852125 576657992 /nfs/dbraw/zinc/65/79/92/576657992.db2.gz MMOWXDZIRSGNKA-GOEBONIOSA-N 1 2 286.375 1.506 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000743852125 576657995 /nfs/dbraw/zinc/65/79/95/576657995.db2.gz MMOWXDZIRSGNKA-GOEBONIOSA-N 1 2 286.375 1.506 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2)CC1 ZINC000744422866 576679724 /nfs/dbraw/zinc/67/97/24/576679724.db2.gz AMGRLHKWPPKDGE-ZDUSSCGKSA-N 1 2 290.338 1.370 20 30 CDEDLO C[C@H]1CC(NC(=O)c2ccc(-n3cc[nH+]c3)nc2)=NO1 ZINC000763261451 576727552 /nfs/dbraw/zinc/72/75/52/576727552.db2.gz XDBHWMLXZWMMAX-VIFPVBQESA-N 1 2 271.280 1.119 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CC[C@H](C3CC3)C2)c1=S ZINC000763333519 576731419 /nfs/dbraw/zinc/73/14/19/576731419.db2.gz UIOOGTJSGAAPRH-NSHDSACASA-N 1 2 265.386 1.684 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CC[C@H](C3CC3)C2)c1=S ZINC000763333519 576731421 /nfs/dbraw/zinc/73/14/21/576731421.db2.gz UIOOGTJSGAAPRH-NSHDSACASA-N 1 2 265.386 1.684 20 30 CDEDLO CC#CC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000764058723 576776718 /nfs/dbraw/zinc/77/67/18/576776718.db2.gz QMKZYSAPMFIXTF-CQSZACIVSA-N 1 2 271.295 1.788 20 30 CDEDLO N#C[C@@]1(F)CC[N@H+](CC2CCC3(CC2)OCCO3)C1 ZINC000753769607 576858912 /nfs/dbraw/zinc/85/89/12/576858912.db2.gz MXQBMMXHCNTDMO-ZDUSSCGKSA-N 1 2 268.332 1.857 20 30 CDEDLO N#C[C@@]1(F)CC[N@@H+](CC2CCC3(CC2)OCCO3)C1 ZINC000753769607 576858913 /nfs/dbraw/zinc/85/89/13/576858913.db2.gz MXQBMMXHCNTDMO-ZDUSSCGKSA-N 1 2 268.332 1.857 20 30 CDEDLO C#CC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000753906995 576865525 /nfs/dbraw/zinc/86/55/25/576865525.db2.gz HDEHIZDSMPYYNR-CYBMUJFWSA-N 1 2 257.268 1.398 20 30 CDEDLO C=C(C)CNC(=S)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000755399563 576943386 /nfs/dbraw/zinc/94/33/86/576943386.db2.gz VOOJMIPFAFOUFO-NSHDSACASA-N 1 2 264.398 1.660 20 30 CDEDLO CNC(=S)NN=Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000755471457 576946187 /nfs/dbraw/zinc/94/61/87/576946187.db2.gz JKEIRAGXNQLGRJ-UHFFFAOYSA-N 1 2 273.365 1.609 20 30 CDEDLO COc1ccc(CCNN=Cc2c[nH+]cn2C)cc1 ZINC000755732625 576958049 /nfs/dbraw/zinc/95/80/49/576958049.db2.gz FRCMTYNXNRXRKH-UHFFFAOYSA-N 1 2 258.325 1.595 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)/C=C/c2ccccc2C#N)CCO1 ZINC000750746341 577004133 /nfs/dbraw/zinc/00/41/33/577004133.db2.gz KHUOFKICRUNQOB-UZYOAWRESA-N 1 2 299.374 1.408 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)/C=C/c2ccccc2C#N)CCO1 ZINC000750746341 577004137 /nfs/dbraw/zinc/00/41/37/577004137.db2.gz KHUOFKICRUNQOB-UZYOAWRESA-N 1 2 299.374 1.408 20 30 CDEDLO N#Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)[nH]1 ZINC000751588641 577053656 /nfs/dbraw/zinc/05/36/56/577053656.db2.gz NTUPJEOELIWIGS-UHFFFAOYSA-N 1 2 292.302 1.397 20 30 CDEDLO COC[C@@H](C#N)OC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000751606240 577054326 /nfs/dbraw/zinc/05/43/26/577054326.db2.gz PVKPMHFGKOWFNW-CHWSQXEVSA-N 1 2 262.309 1.371 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2CC2)C(C)(C)C1 ZINC000972723391 613380787 /nfs/dbraw/zinc/38/07/87/613380787.db2.gz ZQIWQYXVYSRCCU-NSHDSACASA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2CC2)C(C)(C)C1 ZINC000972723391 613380788 /nfs/dbraw/zinc/38/07/88/613380788.db2.gz ZQIWQYXVYSRCCU-NSHDSACASA-N 1 2 256.777 1.976 20 30 CDEDLO C=CC[C@@H]1CCN1C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000890556551 617207098 /nfs/dbraw/zinc/20/70/98/617207098.db2.gz LTROQKLWGJWGBC-CYBMUJFWSA-N 1 2 264.369 1.418 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(C)o2)C1 ZINC000949632598 612992041 /nfs/dbraw/zinc/99/20/41/612992041.db2.gz WWTZCNQFPAFGCA-UHFFFAOYSA-N 1 2 260.337 1.758 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(F)nc2)C1 ZINC000949800675 612992174 /nfs/dbraw/zinc/99/21/74/612992174.db2.gz OWEVWRWJAXRYPK-UHFFFAOYSA-N 1 2 275.327 1.390 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnoc2C(C)C)C1 ZINC000957080172 612992853 /nfs/dbraw/zinc/99/28/53/612992853.db2.gz OIIMZMOLUXHUQL-UHFFFAOYSA-N 1 2 289.379 1.968 20 30 CDEDLO C#CCC[C@H](O)CNc1cc(NCCCC)[nH+]c(N)n1 ZINC000804686326 617316230 /nfs/dbraw/zinc/31/62/30/617316230.db2.gz KRKKPNZOMOJDNJ-NSHDSACASA-N 1 2 277.372 1.457 20 30 CDEDLO C#CCC[C@H](O)CNc1cc(NCCCC)nc(N)[nH+]1 ZINC000804686326 617316231 /nfs/dbraw/zinc/31/62/31/617316231.db2.gz KRKKPNZOMOJDNJ-NSHDSACASA-N 1 2 277.372 1.457 20 30 CDEDLO C#CC[N@H+]1CCCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC000981783799 613142061 /nfs/dbraw/zinc/14/20/61/613142061.db2.gz FIACZXPZKKGRGF-SNVBAGLBSA-N 1 2 292.276 1.444 20 30 CDEDLO C#CC[N@@H+]1CCCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC000981783799 613142063 /nfs/dbraw/zinc/14/20/63/613142063.db2.gz FIACZXPZKKGRGF-SNVBAGLBSA-N 1 2 292.276 1.444 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C ZINC000961468945 613236011 /nfs/dbraw/zinc/23/60/11/613236011.db2.gz GBBUGACBMHHCBC-RPWYLVQBSA-N 1 2 299.212 1.597 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C ZINC000961468945 613236014 /nfs/dbraw/zinc/23/60/14/613236014.db2.gz GBBUGACBMHHCBC-RPWYLVQBSA-N 1 2 299.212 1.597 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2scnc2CC)C1 ZINC000966597383 613250826 /nfs/dbraw/zinc/25/08/26/613250826.db2.gz IRJKTAHHTOEGRJ-AAEUAGOBSA-N 1 2 291.420 1.779 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2scnc2CC)C1 ZINC000966597383 613250829 /nfs/dbraw/zinc/25/08/29/613250829.db2.gz IRJKTAHHTOEGRJ-AAEUAGOBSA-N 1 2 291.420 1.779 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cccc3nc[nH]c32)C[C@@H]1C ZINC000947840369 613270610 /nfs/dbraw/zinc/27/06/10/613270610.db2.gz DKUZLBTWOTZQCL-STQMWFEESA-N 1 2 296.374 1.779 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cccc3nc[nH]c32)C[C@@H]1C ZINC000947840369 613270613 /nfs/dbraw/zinc/27/06/13/613270613.db2.gz DKUZLBTWOTZQCL-STQMWFEESA-N 1 2 296.374 1.779 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[C@@H]2OC)C1 ZINC000950666522 613294345 /nfs/dbraw/zinc/29/43/45/613294345.db2.gz HQWNSIZFNUBLGV-CABCVRRESA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccnc(OC)n2)C1 ZINC000950848720 613297036 /nfs/dbraw/zinc/29/70/36/613297036.db2.gz OQBCSWRQBXXWRY-UHFFFAOYSA-N 1 2 290.367 1.208 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cncnc2C)C1 ZINC000949723436 613297393 /nfs/dbraw/zinc/29/73/93/613297393.db2.gz QARUOAYRLVTGOH-UHFFFAOYSA-N 1 2 274.368 1.507 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2nc(Cl)cs2)C(C)(C)C1 ZINC000974956433 613301777 /nfs/dbraw/zinc/30/17/77/613301777.db2.gz PMQRJVASQXRHGD-VIFPVBQESA-N 1 2 297.811 1.870 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2nc(Cl)cs2)C(C)(C)C1 ZINC000974956433 613301779 /nfs/dbraw/zinc/30/17/79/613301779.db2.gz PMQRJVASQXRHGD-VIFPVBQESA-N 1 2 297.811 1.870 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC000971759298 613369337 /nfs/dbraw/zinc/36/93/37/613369337.db2.gz QYDMNLVBDXWALZ-SNVBAGLBSA-N 1 2 296.758 1.081 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC000971759298 613369338 /nfs/dbraw/zinc/36/93/38/613369338.db2.gz QYDMNLVBDXWALZ-SNVBAGLBSA-N 1 2 296.758 1.081 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCOC2)C1 ZINC000969388921 613372133 /nfs/dbraw/zinc/37/21/33/613372133.db2.gz HQDVVLGUUGQXFX-RYUDHWBXSA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccnnc2)C1 ZINC000968357695 613378204 /nfs/dbraw/zinc/37/82/04/613378204.db2.gz RIBPKGQOPCYUJR-GXFFZTMASA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccnnc2)C1 ZINC000968357695 613378205 /nfs/dbraw/zinc/37/82/05/613378205.db2.gz RIBPKGQOPCYUJR-GXFFZTMASA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2[nH]cnc2C)C(C)(C)C1 ZINC000977660323 613379871 /nfs/dbraw/zinc/37/98/71/613379871.db2.gz DTUJHJPTEYGRRA-LLVKDONJSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2[nH]cnc2C)C(C)(C)C1 ZINC000977660323 613379872 /nfs/dbraw/zinc/37/98/72/613379872.db2.gz DTUJHJPTEYGRRA-LLVKDONJSA-N 1 2 296.802 1.911 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000949409858 613562695 /nfs/dbraw/zinc/56/26/95/613562695.db2.gz RZHASIRLYCHVPB-HOTGVXAUSA-N 1 2 290.407 1.502 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCC3CC3)C2)C1 ZINC000972305209 613570336 /nfs/dbraw/zinc/57/03/36/613570336.db2.gz PYGLGEAVXDMSSS-KRWDZBQOSA-N 1 2 290.407 1.503 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCC3CC3)C2)C1 ZINC000972305209 613570338 /nfs/dbraw/zinc/57/03/38/613570338.db2.gz PYGLGEAVXDMSSS-KRWDZBQOSA-N 1 2 290.407 1.503 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)COc2cccc(F)c2)CC1 ZINC000957634668 613708384 /nfs/dbraw/zinc/70/83/84/613708384.db2.gz CAWUDUGYQZXQKR-UHFFFAOYSA-N 1 2 278.327 1.535 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@H](C)[C@H]2CCCO2)CC1 ZINC000957461710 613708700 /nfs/dbraw/zinc/70/87/00/613708700.db2.gz CKXBITXXEXKGOM-UONOGXRCSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H](C)c2cnn(C)c2)CC1 ZINC000949460200 613708829 /nfs/dbraw/zinc/70/88/29/613708829.db2.gz GQZALMCVAWOYJH-CYBMUJFWSA-N 1 2 276.384 1.244 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C)nc2OC)CC1 ZINC000951368402 613715559 /nfs/dbraw/zinc/71/55/59/613715559.db2.gz MPMGDEBLAZFTFY-UHFFFAOYSA-N 1 2 275.352 1.342 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](F)C(C)C)C2)C1 ZINC000972509248 613726399 /nfs/dbraw/zinc/72/63/99/613726399.db2.gz CDGHQWLSBXEZSX-DZGCQCFKSA-N 1 2 284.375 1.470 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](F)C(C)C)C2)C1 ZINC000972509248 613726402 /nfs/dbraw/zinc/72/64/02/613726402.db2.gz CDGHQWLSBXEZSX-DZGCQCFKSA-N 1 2 284.375 1.470 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)C1 ZINC000972538383 613726421 /nfs/dbraw/zinc/72/64/21/613726421.db2.gz UEKBHNIMYLUXCV-BFYDXBDKSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)C1 ZINC000972538383 613726424 /nfs/dbraw/zinc/72/64/24/613726424.db2.gz UEKBHNIMYLUXCV-BFYDXBDKSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@H+](CN1C[C@@H](C(C)C)CC1=O)[C@@H](C)COC ZINC000853535222 617415913 /nfs/dbraw/zinc/41/59/13/617415913.db2.gz RJODFSKSAYJBJC-KBPBESRZSA-N 1 2 268.401 1.971 20 30 CDEDLO C=CC[N@@H+](CN1C[C@@H](C(C)C)CC1=O)[C@@H](C)COC ZINC000853535222 617415915 /nfs/dbraw/zinc/41/59/15/617415915.db2.gz RJODFSKSAYJBJC-KBPBESRZSA-N 1 2 268.401 1.971 20 30 CDEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1nnc[nH]1 ZINC000948969242 613805645 /nfs/dbraw/zinc/80/56/45/613805645.db2.gz CFNBHUFZVFTFEX-CQSZACIVSA-N 1 2 297.362 1.320 20 30 CDEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1nnc[nH]1 ZINC000948969242 613805646 /nfs/dbraw/zinc/80/56/46/613805646.db2.gz CFNBHUFZVFTFEX-CQSZACIVSA-N 1 2 297.362 1.320 20 30 CDEDLO CC1(C)CN(CC#N)C[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000974732169 614607319 /nfs/dbraw/zinc/60/73/19/614607319.db2.gz HSDAQOPWRCLFJB-AWEZNQCLSA-N 1 2 297.362 1.527 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2C)C1 ZINC000891606988 617501667 /nfs/dbraw/zinc/50/16/67/617501667.db2.gz KLTHXKNNBWBSNN-CQSZACIVSA-N 1 2 299.374 1.147 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2C)C1 ZINC000891606988 617501670 /nfs/dbraw/zinc/50/16/70/617501670.db2.gz KLTHXKNNBWBSNN-CQSZACIVSA-N 1 2 299.374 1.147 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1csc(C#N)c1 ZINC000891629943 617512781 /nfs/dbraw/zinc/51/27/81/617512781.db2.gz ZQRUKYYFOVZHPB-LBPRGKRZSA-N 1 2 263.366 1.720 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1csc(C#N)c1 ZINC000891629943 617512784 /nfs/dbraw/zinc/51/27/84/617512784.db2.gz ZQRUKYYFOVZHPB-LBPRGKRZSA-N 1 2 263.366 1.720 20 30 CDEDLO C[C@H](O)C[NH+]1CCN(c2cc(C#N)sc2[N+](=O)[O-])CC1 ZINC000892312656 617755279 /nfs/dbraw/zinc/75/52/79/617755279.db2.gz FVXNBRDYIRJWPS-VIFPVBQESA-N 1 2 296.352 1.031 20 30 CDEDLO N#CCN1CC[NH+](C/C=C\c2cccc(F)c2)CC1 ZINC000893993800 618235259 /nfs/dbraw/zinc/23/52/59/618235259.db2.gz VHVPSZICRRBVOK-RQOWECAXSA-N 1 2 259.328 1.980 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)C(=O)OC ZINC000894194892 618682314 /nfs/dbraw/zinc/68/23/14/618682314.db2.gz NCBSZZIFBUNFEO-BARDWOONSA-N 1 2 297.395 1.525 20 30 CDEDLO Cc1ccc2nc(C[NH2+][C@H]3CCCN(O)C3=O)cn2c1 ZINC000895158673 619374627 /nfs/dbraw/zinc/37/46/27/619374627.db2.gz MEUNPPWPRHMVCO-LBPRGKRZSA-N 1 2 274.324 1.113 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2cc(Cl)ccc2F)CCCN1O ZINC000895163306 619386314 /nfs/dbraw/zinc/38/63/14/619386314.db2.gz SYDWBOYYEANVRE-LLVKDONJSA-N 1 2 272.707 1.949 20 30 CDEDLO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000896505554 620121836 /nfs/dbraw/zinc/12/18/36/620121836.db2.gz NVNFDZUAVNKHGD-AWEZNQCLSA-N 1 2 288.347 1.974 20 30 CDEDLO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000896505554 620121838 /nfs/dbraw/zinc/12/18/38/620121838.db2.gz NVNFDZUAVNKHGD-AWEZNQCLSA-N 1 2 288.347 1.974 20 30 CDEDLO C#CCSCC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000896977902 620329518 /nfs/dbraw/zinc/32/95/18/620329518.db2.gz FEDRYEKEHDUABV-CHWSQXEVSA-N 1 2 277.393 1.659 20 30 CDEDLO C=C[C@](C)(CC)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000785759283 620949493 /nfs/dbraw/zinc/94/94/93/620949493.db2.gz JGVIQZXRNCBBER-VNHYZAJKSA-N 1 2 267.369 1.995 20 30 CDEDLO C=C[C@](C)(CC)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000785759283 620949495 /nfs/dbraw/zinc/94/94/95/620949495.db2.gz JGVIQZXRNCBBER-VNHYZAJKSA-N 1 2 267.369 1.995 20 30 CDEDLO Cc1c(C(=O)N[C@H]2CCc3c[nH+]cn3C2)cnn1CCC#N ZINC000897730531 621106774 /nfs/dbraw/zinc/10/67/74/621106774.db2.gz OPROECOHLSOKCY-LBPRGKRZSA-N 1 2 298.350 1.047 20 30 CDEDLO Cn1nc(C2CC2)cc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000901625494 624379035 /nfs/dbraw/zinc/37/90/35/624379035.db2.gz YFPGQMJLKBDOAD-LLVKDONJSA-N 1 2 257.341 1.831 20 30 CDEDLO C=CCCC(=O)[C@@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC000908649478 628314911 /nfs/dbraw/zinc/31/49/11/628314911.db2.gz MVRJDMPWCOSIPD-AWEZNQCLSA-N 1 2 294.395 1.235 20 30 CDEDLO C=CCCC(=O)[C@@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000908660352 628320737 /nfs/dbraw/zinc/32/07/37/628320737.db2.gz NCMKWYZMTBGGTD-LBPRGKRZSA-N 1 2 275.352 1.869 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000923597060 631651568 /nfs/dbraw/zinc/65/15/68/631651568.db2.gz LNMTYRGAJCIEPY-JTQLQIEISA-N 1 2 277.280 1.015 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000923597060 631651571 /nfs/dbraw/zinc/65/15/71/631651571.db2.gz LNMTYRGAJCIEPY-JTQLQIEISA-N 1 2 277.280 1.015 20 30 CDEDLO Cc1cnc(C[NH2+]C/C=C/CNC(=O)C#CC(C)C)o1 ZINC001754132071 1158799923 /nfs/dbraw/zinc/79/99/23/1158799923.db2.gz KILWIMYLNBBCAC-SNAWJCMRSA-N 1 2 275.352 1.404 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)COC)CC[C@@H]1C ZINC001131755242 1163031755 /nfs/dbraw/zinc/03/17/55/1163031755.db2.gz CFVVRFZXBKZMFS-WDEREUQCSA-N 1 2 260.765 1.354 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)COC)CC[C@@H]1C ZINC001131755242 1163031762 /nfs/dbraw/zinc/03/17/62/1163031762.db2.gz CFVVRFZXBKZMFS-WDEREUQCSA-N 1 2 260.765 1.354 20 30 CDEDLO CON=CC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000809758461 1163085659 /nfs/dbraw/zinc/08/56/59/1163085659.db2.gz NJPQIRNBBPUXJR-UHFFFAOYSA-N 1 2 278.356 1.534 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cnoc2)[C@H]1C ZINC000993713232 1161187051 /nfs/dbraw/zinc/18/70/51/1161187051.db2.gz CINIYXBBWQUFAB-DGCLKSJQSA-N 1 2 297.786 1.939 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cnoc2)[C@H]1C ZINC000993713232 1161187053 /nfs/dbraw/zinc/18/70/53/1161187053.db2.gz CINIYXBBWQUFAB-DGCLKSJQSA-N 1 2 297.786 1.939 20 30 CDEDLO C#CC[N@H+](C)CCCNc1c2ccccc2[nH+]nc1C(=O)[O-] ZINC000328204416 1161194814 /nfs/dbraw/zinc/19/48/14/1161194814.db2.gz UMNJLEQBOVLPAV-UHFFFAOYSA-N 1 2 298.346 1.695 20 30 CDEDLO C#CC[N@@H+](C)CCCNc1c2ccccc2[nH+]nc1C(=O)[O-] ZINC000328204416 1161194816 /nfs/dbraw/zinc/19/48/16/1161194816.db2.gz UMNJLEQBOVLPAV-UHFFFAOYSA-N 1 2 298.346 1.695 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1onc(C)c1C ZINC001085661479 1161950257 /nfs/dbraw/zinc/95/02/57/1161950257.db2.gz ZKLAQDHNDIYWLH-LBPRGKRZSA-N 1 2 261.325 1.071 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1onc(C)c1C ZINC001085661479 1161950259 /nfs/dbraw/zinc/95/02/59/1161950259.db2.gz ZKLAQDHNDIYWLH-LBPRGKRZSA-N 1 2 261.325 1.071 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)C2(C)CCCC2)CC1 ZINC001113169621 1162122132 /nfs/dbraw/zinc/12/21/32/1162122132.db2.gz OQPMXBRZELJOJH-UHFFFAOYSA-N 1 2 280.412 1.914 20 30 CDEDLO CC#CCCCC(=O)N1CC[NH+](CCOCC(C)C)CC1 ZINC001113232634 1162133982 /nfs/dbraw/zinc/13/39/82/1162133982.db2.gz XCHRKQDQSOPWPD-UHFFFAOYSA-N 1 2 294.439 1.997 20 30 CDEDLO C#Cc1ccccc1CC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000811260085 1163447966 /nfs/dbraw/zinc/44/79/66/1163447966.db2.gz VHQLPSQHPHEYSM-CALCHBBNSA-N 1 2 299.370 1.617 20 30 CDEDLO C#Cc1ccccc1CC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000811260085 1163447969 /nfs/dbraw/zinc/44/79/69/1163447969.db2.gz VHQLPSQHPHEYSM-CALCHBBNSA-N 1 2 299.370 1.617 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+]Cc1nc(CC2CC2)no1 ZINC001133142437 1163581835 /nfs/dbraw/zinc/58/18/35/1163581835.db2.gz BJWVOXQUZCUYBH-UHFFFAOYSA-N 1 2 292.383 1.584 20 30 CDEDLO C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000866233127 1164755437 /nfs/dbraw/zinc/75/54/37/1164755437.db2.gz ROCOGEYVUPMSAW-ZRFDWSJLSA-N 1 2 299.374 1.624 20 30 CDEDLO Cc1cccc2[nH+]c(CCNc3ccncc3C#N)cn21 ZINC001640110532 1166997567 /nfs/dbraw/zinc/99/75/67/1166997567.db2.gz WZKJRQLUBCWPBA-UHFFFAOYSA-N 1 2 277.331 1.986 20 30 CDEDLO C=CCOCC(=O)N1C[C@H](Nc2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC001112305465 1167009138 /nfs/dbraw/zinc/00/91/38/1167009138.db2.gz XUCWMKJODCKYDA-AAEUAGOBSA-N 1 2 290.367 1.246 20 30 CDEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCn3nccc3C2)cc1 ZINC001647857025 1169067947 /nfs/dbraw/zinc/06/79/47/1169067947.db2.gz OKNTURWBJMFMIM-HNNXBMFYSA-N 1 2 268.320 1.304 20 30 CDEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCn3nccc3C2)cc1 ZINC001647857025 1169067959 /nfs/dbraw/zinc/06/79/59/1169067959.db2.gz OKNTURWBJMFMIM-HNNXBMFYSA-N 1 2 268.320 1.304 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCN1CCC[C@](C)(C#N)C1 ZINC001653855800 1171567383 /nfs/dbraw/zinc/56/73/83/1171567383.db2.gz KJLALADFIZJRNZ-ZIAGYGMSSA-N 1 2 251.374 1.333 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCN1CCC[C@](C)(C#N)C1 ZINC001653855800 1171567387 /nfs/dbraw/zinc/56/73/87/1171567387.db2.gz KJLALADFIZJRNZ-ZIAGYGMSSA-N 1 2 251.374 1.333 20 30 CDEDLO Cc1cc(NCCc2cn3ccccc3[nH+]2)c(C#N)cn1 ZINC001654937730 1171652595 /nfs/dbraw/zinc/65/25/95/1171652595.db2.gz OHZVVSKUEWUJJE-UHFFFAOYSA-N 1 2 277.331 1.986 20 30 CDEDLO N#Cc1ccc(Cl)c(NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000127859897 1175573853 /nfs/dbraw/zinc/57/38/53/1175573853.db2.gz UJJCMDOGULSUPB-GFCCVEGCSA-N 1 2 295.770 1.317 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](C)CSC ZINC001713448187 1178567150 /nfs/dbraw/zinc/56/71/50/1178567150.db2.gz UTXIYTHUXMIODC-SECBINFHSA-N 1 2 264.822 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](C)CSC ZINC001713448187 1178567154 /nfs/dbraw/zinc/56/71/54/1178567154.db2.gz UTXIYTHUXMIODC-SECBINFHSA-N 1 2 264.822 1.786 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cn[nH]c1 ZINC001725155558 1181887195 /nfs/dbraw/zinc/88/71/95/1181887195.db2.gz NAZXMEWUULPNPC-SECBINFHSA-N 1 2 256.737 1.212 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cn[nH]c1 ZINC001725155558 1181887200 /nfs/dbraw/zinc/88/72/00/1181887200.db2.gz NAZXMEWUULPNPC-SECBINFHSA-N 1 2 256.737 1.212 20 30 CDEDLO CC#CCCCC(=O)NC[C@@H](C)[NH2+]Cc1nnc(CC)o1 ZINC001752892769 1184952461 /nfs/dbraw/zinc/95/24/61/1184952461.db2.gz JZSXLQIPHXRCCF-GFCCVEGCSA-N 1 2 292.383 1.420 20 30 CDEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@@H]1CCC1(C)C ZINC001753343205 1185163330 /nfs/dbraw/zinc/16/33/30/1185163330.db2.gz JLYHTOKAOXETJP-AWEZNQCLSA-N 1 2 292.427 1.022 20 30 CDEDLO C#Cc1ccc(C(=O)N(C)CC[N@H+](C)CC(=C)Cl)cn1 ZINC001753867172 1185371323 /nfs/dbraw/zinc/37/13/23/1185371323.db2.gz HBYUTCKFMOAPGP-UHFFFAOYSA-N 1 2 291.782 1.819 20 30 CDEDLO C#Cc1ccc(C(=O)N(C)CC[N@@H+](C)CC(=C)Cl)cn1 ZINC001753867172 1185371327 /nfs/dbraw/zinc/37/13/27/1185371327.db2.gz HBYUTCKFMOAPGP-UHFFFAOYSA-N 1 2 291.782 1.819 20 30 CDEDLO C#CCCCCC(=O)N[C@H](C)C[NH2+][C@H](C)c1nnc(C)o1 ZINC001754223718 1185515724 /nfs/dbraw/zinc/51/57/24/1185515724.db2.gz IGUHOQAWZAYABW-VXGBXAGGSA-N 1 2 292.383 1.727 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)CO[C@H]2CCCC[C@H]2C)C1 ZINC001754583008 1185674370 /nfs/dbraw/zinc/67/43/70/1185674370.db2.gz JWZKQSPKHQFQFX-ZBFHGGJFSA-N 1 2 292.423 1.748 20 30 CDEDLO C=CCCCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001755113111 1185819788 /nfs/dbraw/zinc/81/97/88/1185819788.db2.gz FKAGJVOAQPELFA-YPMHNXCESA-N 1 2 294.424 1.831 20 30 CDEDLO CCNc1ccc(C#N)cc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001622947418 1165743426 /nfs/dbraw/zinc/74/34/26/1165743426.db2.gz XYDGRFHOBMDEMX-UHFFFAOYSA-N 1 2 269.308 1.894 20 30 CDEDLO Cc1nc(NC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)cc[nH+]1 ZINC001065848918 818022493 /nfs/dbraw/zinc/02/24/93/818022493.db2.gz XVAPXDCYRYRPJO-SWLSCSKDSA-N 1 2 298.390 1.705 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1CC ZINC001032387674 818041645 /nfs/dbraw/zinc/04/16/45/818041645.db2.gz IGQMJJHTMVUDCH-STQMWFEESA-N 1 2 271.364 1.499 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1CC ZINC001032387674 818041649 /nfs/dbraw/zinc/04/16/49/818041649.db2.gz IGQMJJHTMVUDCH-STQMWFEESA-N 1 2 271.364 1.499 20 30 CDEDLO Oc1ccccc1/C=N\CC1([NH+]2CCOCC2)CC1 ZINC000765970366 818077176 /nfs/dbraw/zinc/07/71/76/818077176.db2.gz KRESETOPLIXOHE-WJDWOHSUSA-N 1 2 260.337 1.676 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C2CC2)cn1 ZINC001018227921 818130682 /nfs/dbraw/zinc/13/06/82/818130682.db2.gz QEAMUKDTWZDYMO-IYBDPMFKSA-N 1 2 295.386 1.881 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C2CC2)cn1 ZINC001018227921 818130687 /nfs/dbraw/zinc/13/06/87/818130687.db2.gz QEAMUKDTWZDYMO-IYBDPMFKSA-N 1 2 295.386 1.881 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001027829074 818226777 /nfs/dbraw/zinc/22/67/77/818226777.db2.gz UICOSNQAJPRBDJ-OLZOCXBDSA-N 1 2 286.803 1.889 20 30 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C#CCC[N@@H+](CCOC)Cn1ccc(C(F)(F)F)n1 ZINC000853620363 819205579 /nfs/dbraw/zinc/20/55/79/819205579.db2.gz ZHZGUCCIVGBYQI-UHFFFAOYSA-N 1 2 275.274 1.831 20 30 CDEDLO C#CCC[N@H+](CCOC)Cn1ccc(C(F)(F)F)n1 ZINC000853620363 819205598 /nfs/dbraw/zinc/20/55/98/819205598.db2.gz ZHZGUCCIVGBYQI-UHFFFAOYSA-N 1 2 275.274 1.831 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)oc2C)C1 ZINC001035287356 819218811 /nfs/dbraw/zinc/21/88/11/819218811.db2.gz NARPOCPWUUVUAG-CQSZACIVSA-N 1 2 292.379 1.903 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(C)oc2C)C1 ZINC001035287356 819218817 /nfs/dbraw/zinc/21/88/17/819218817.db2.gz NARPOCPWUUVUAG-CQSZACIVSA-N 1 2 292.379 1.903 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000877560690 819331591 /nfs/dbraw/zinc/33/15/91/819331591.db2.gz YGNIVKKNOFRRPD-CQSZACIVSA-N 1 2 288.351 1.616 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000877560690 819331599 /nfs/dbraw/zinc/33/15/99/819331599.db2.gz YGNIVKKNOFRRPD-CQSZACIVSA-N 1 2 288.351 1.616 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncc(C)c1 ZINC001038130270 819341055 /nfs/dbraw/zinc/34/10/55/819341055.db2.gz NPBRUWYOXWCCBM-CQSZACIVSA-N 1 2 257.337 1.217 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cncc(C)c1 ZINC001038130270 819341063 /nfs/dbraw/zinc/34/10/63/819341063.db2.gz NPBRUWYOXWCCBM-CQSZACIVSA-N 1 2 257.337 1.217 20 30 CDEDLO C=CC[N@H+](Cc1ccccc1)CN1C[C@H](OC)CC1=O ZINC000189059823 819349076 /nfs/dbraw/zinc/34/90/76/819349076.db2.gz UHSPLBUWTZVEDT-OAHLLOKOSA-N 1 2 274.364 1.879 20 30 CDEDLO C=CC[N@@H+](Cc1ccccc1)CN1C[C@H](OC)CC1=O ZINC000189059823 819349084 /nfs/dbraw/zinc/34/90/84/819349084.db2.gz UHSPLBUWTZVEDT-OAHLLOKOSA-N 1 2 274.364 1.879 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]c3ccccc23)C1 ZINC001035431661 819351660 /nfs/dbraw/zinc/35/16/60/819351660.db2.gz PDIHBTYNPDWPER-CYBMUJFWSA-N 1 2 299.374 1.785 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2c[nH]c3ccccc23)C1 ZINC001035431661 819351666 /nfs/dbraw/zinc/35/16/66/819351666.db2.gz PDIHBTYNPDWPER-CYBMUJFWSA-N 1 2 299.374 1.785 20 30 CDEDLO N#CCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000341934628 819357707 /nfs/dbraw/zinc/35/77/07/819357707.db2.gz YHECSILJRLIATH-UHFFFAOYSA-N 1 2 254.293 1.575 20 30 CDEDLO Cc1ccc(N2CC[NH+](CC(=O)NCCC#N)CC2)cc1 ZINC000784390216 819361691 /nfs/dbraw/zinc/36/16/91/819361691.db2.gz SUMHNUNDMVBZPW-UHFFFAOYSA-N 1 2 286.379 1.147 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001035359520 819376352 /nfs/dbraw/zinc/37/63/52/819376352.db2.gz UAFCEWJHGNBHNG-QWRGUYRKSA-N 1 2 274.311 1.035 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001035359520 819376346 /nfs/dbraw/zinc/37/63/46/819376346.db2.gz UAFCEWJHGNBHNG-QWRGUYRKSA-N 1 2 274.311 1.035 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2c1O[C@H](C)C2 ZINC001038542678 819388961 /nfs/dbraw/zinc/38/89/61/819388961.db2.gz NNYBQUYEWFQQCQ-HIFRSBDPSA-N 1 2 298.386 1.837 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2c1O[C@H](C)C2 ZINC001038542678 819388967 /nfs/dbraw/zinc/38/89/67/819388967.db2.gz NNYBQUYEWFQQCQ-HIFRSBDPSA-N 1 2 298.386 1.837 20 30 CDEDLO C#CC[NH+]1CCC(N(C)C(=O)c2cccc3[nH]cnc32)CC1 ZINC001006176223 819390344 /nfs/dbraw/zinc/39/03/44/819390344.db2.gz IFTFSOSSQSVDPH-UHFFFAOYSA-N 1 2 296.374 1.733 20 30 CDEDLO N#Cc1ccc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)nc1 ZINC000889233419 819443868 /nfs/dbraw/zinc/44/38/68/819443868.db2.gz WHDKLDGKLPPRHG-NSHDSACASA-N 1 2 282.307 1.286 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1n[nH]c(CC)c1Cl ZINC001038341594 819496945 /nfs/dbraw/zinc/49/69/45/819496945.db2.gz OGQUNDIUNYBYHW-VIFPVBQESA-N 1 2 280.759 1.063 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1n[nH]c(CC)c1Cl ZINC001038341594 819496958 /nfs/dbraw/zinc/49/69/58/819496958.db2.gz OGQUNDIUNYBYHW-VIFPVBQESA-N 1 2 280.759 1.063 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(COC)c(F)c2)C1 ZINC001031310584 819504012 /nfs/dbraw/zinc/50/40/12/819504012.db2.gz DPKVSCAPCZEJIO-UHFFFAOYSA-N 1 2 290.338 1.409 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccn2CC)C1 ZINC001044296296 819557349 /nfs/dbraw/zinc/55/73/49/819557349.db2.gz WCBZOZVDKJSVKF-UHFFFAOYSA-N 1 2 261.369 1.840 20 30 CDEDLO COCCOc1ccc(C=NNc2[nH+]ccn2C)cc1 ZINC000790300234 819571783 /nfs/dbraw/zinc/57/17/83/819571783.db2.gz PSHFROSPEJFBNU-UHFFFAOYSA-N 1 2 274.324 1.891 20 30 CDEDLO N#CCc1cccc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)n1 ZINC000881147229 819819386 /nfs/dbraw/zinc/81/93/86/819819386.db2.gz JTDFTIJJPYJYNW-LBPRGKRZSA-N 1 2 296.334 1.481 20 30 CDEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccco3)C[C@H]21 ZINC001074115028 819837378 /nfs/dbraw/zinc/83/73/78/819837378.db2.gz LOWOYQCRHUVDSR-KGLIPLIRSA-N 1 2 290.363 1.771 20 30 CDEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccco3)C[C@H]21 ZINC001074115028 819837379 /nfs/dbraw/zinc/83/73/79/819837379.db2.gz LOWOYQCRHUVDSR-KGLIPLIRSA-N 1 2 290.363 1.771 20 30 CDEDLO CCO[C@H](C)c1nc(CO[NH+]=C(N)CCO)cs1 ZINC000121366323 819844216 /nfs/dbraw/zinc/84/42/16/819844216.db2.gz SRSGXFJOIHYRGL-MRVPVSSYSA-N 1 2 273.358 1.412 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@](C)(NC(C)=O)C2)c1 ZINC001046090619 819858401 /nfs/dbraw/zinc/85/84/01/819858401.db2.gz ZXQUKWZVNRXZMV-KRWDZBQOSA-N 1 2 299.374 1.207 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@](C)(NC(C)=O)C2)c1 ZINC001046090619 819858402 /nfs/dbraw/zinc/85/84/02/819858402.db2.gz ZXQUKWZVNRXZMV-KRWDZBQOSA-N 1 2 299.374 1.207 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc[nH]3)cc2C1 ZINC001054254930 819861886 /nfs/dbraw/zinc/86/18/86/819861886.db2.gz PDXFHOJOYOLRAD-UHFFFAOYSA-N 1 2 279.343 1.894 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc[nH]3)cc2C1 ZINC001054254930 819861889 /nfs/dbraw/zinc/86/18/89/819861889.db2.gz PDXFHOJOYOLRAD-UHFFFAOYSA-N 1 2 279.343 1.894 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NCCCS(C)(=O)=O ZINC000820634949 819876023 /nfs/dbraw/zinc/87/60/23/819876023.db2.gz QUNUDJPRRALIKG-UHFFFAOYSA-N 1 2 296.392 1.720 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2csnn2)C(C)(C)C1 ZINC000995569471 819880499 /nfs/dbraw/zinc/88/04/99/819880499.db2.gz AHARRXYRXLJKHQ-MWLCHTKSSA-N 1 2 293.396 1.024 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC001038432881 819881457 /nfs/dbraw/zinc/88/14/57/819881457.db2.gz VPHFZJLYNPBOOA-ZDUSSCGKSA-N 1 2 257.337 1.136 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC001038432881 819881458 /nfs/dbraw/zinc/88/14/58/819881458.db2.gz VPHFZJLYNPBOOA-ZDUSSCGKSA-N 1 2 257.337 1.136 20 30 CDEDLO C[C@H](CNC(=O)c1ccc(F)c(C#N)c1)Cn1cc[nH+]c1 ZINC000286599429 819890330 /nfs/dbraw/zinc/89/03/30/819890330.db2.gz WLUXRQSEJYJELT-LLVKDONJSA-N 1 2 286.310 1.960 20 30 CDEDLO C=CCNC(=O)COC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000798895506 819892333 /nfs/dbraw/zinc/89/23/33/819892333.db2.gz AFBGZUXCLDNNGQ-UHFFFAOYSA-N 1 2 285.303 1.331 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCOC1 ZINC001027781139 819894991 /nfs/dbraw/zinc/89/49/91/819894991.db2.gz FFBBTWOESNSRAQ-NEPJUHHUSA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCOC1 ZINC001027781139 819894992 /nfs/dbraw/zinc/89/49/92/819894992.db2.gz FFBBTWOESNSRAQ-NEPJUHHUSA-N 1 2 272.776 1.356 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c(C)cc(F)cc2C)C1 ZINC001030778900 819898665 /nfs/dbraw/zinc/89/86/65/819898665.db2.gz JFXQHJOXUBBJES-UHFFFAOYSA-N 1 2 274.339 1.880 20 30 CDEDLO C#CCOc1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000806821502 819930526 /nfs/dbraw/zinc/93/05/26/819930526.db2.gz NNDFZICDDBDGII-UHFFFAOYSA-N 1 2 269.304 1.993 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](COCC)C(C)C ZINC000789865704 820020752 /nfs/dbraw/zinc/02/07/52/820020752.db2.gz ARCOUIXULXMMGP-KGLIPLIRSA-N 1 2 266.385 1.261 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](COCC)C(C)C ZINC000789865704 820020763 /nfs/dbraw/zinc/02/07/63/820020763.db2.gz ARCOUIXULXMMGP-KGLIPLIRSA-N 1 2 266.385 1.261 20 30 CDEDLO C#C[C@H](CCC)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000820641822 820043650 /nfs/dbraw/zinc/04/36/50/820043650.db2.gz XQJFNWYOPUTKST-HUUCEWRRSA-N 1 2 293.411 1.295 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001035366763 820097232 /nfs/dbraw/zinc/09/72/32/820097232.db2.gz QWVILILPVLOABP-HUUCEWRRSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001035366763 820097247 /nfs/dbraw/zinc/09/72/47/820097247.db2.gz QWVILILPVLOABP-HUUCEWRRSA-N 1 2 292.423 1.960 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccnc(OCC)c2)C1 ZINC001043821442 820195714 /nfs/dbraw/zinc/19/57/14/820195714.db2.gz IEXKGXONFQMONJ-UHFFFAOYSA-N 1 2 287.363 1.260 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1C1CCCC1 ZINC000884099007 820308789 /nfs/dbraw/zinc/30/87/89/820308789.db2.gz AXOBKFLMPMQJGB-UONOGXRCSA-N 1 2 294.395 1.614 20 30 CDEDLO N#CCCCS(=O)(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000111324903 820351240 /nfs/dbraw/zinc/35/12/40/820351240.db2.gz QDBINEPUUBEGNJ-UHFFFAOYSA-N 1 2 291.332 1.885 20 30 CDEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)C(C)C)C2)CC1 ZINC001051983715 820363645 /nfs/dbraw/zinc/36/36/45/820363645.db2.gz UGNFWWBYIDLAGM-AWEZNQCLSA-N 1 2 299.846 1.613 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2snnc2C2CC2)C1 ZINC001033164740 820375440 /nfs/dbraw/zinc/37/54/40/820375440.db2.gz HFPJGXOLSXBDNS-LLVKDONJSA-N 1 2 290.392 1.195 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2snnc2C2CC2)C1 ZINC001033164740 820375453 /nfs/dbraw/zinc/37/54/53/820375453.db2.gz HFPJGXOLSXBDNS-LLVKDONJSA-N 1 2 290.392 1.195 20 30 CDEDLO CON(C)C(=O)[C@H](CCSC)[NH2+]C[C@H](C#N)CCC#N ZINC000819172537 820450013 /nfs/dbraw/zinc/45/00/13/820450013.db2.gz ZBZIEIRPMVZCEI-RYUDHWBXSA-N 1 2 298.412 1.161 20 30 CDEDLO C#CC[N@@H+](CN1C[C@@H](OC)CC1=O)[C@H]1CCc2ccccc21 ZINC000248932578 820471614 /nfs/dbraw/zinc/47/16/14/820471614.db2.gz BLXRGOPYYALRLP-RDJZCZTQSA-N 1 2 298.386 1.814 20 30 CDEDLO C#CC[N@H+](CN1C[C@@H](OC)CC1=O)[C@H]1CCc2ccccc21 ZINC000248932578 820471668 /nfs/dbraw/zinc/47/16/68/820471668.db2.gz BLXRGOPYYALRLP-RDJZCZTQSA-N 1 2 298.386 1.814 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](C)C1CCCCC1 ZINC000884416400 820517629 /nfs/dbraw/zinc/51/76/29/820517629.db2.gz ALKKWGURNWNJAI-JSGCOSHPSA-N 1 2 296.411 1.766 20 30 CDEDLO CC[C@H](F)C[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038175401 820521326 /nfs/dbraw/zinc/52/13/26/820521326.db2.gz OQSPSBCSAFTCGK-WCQYABFASA-N 1 2 278.331 1.439 20 30 CDEDLO CC[C@H](F)C[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038175401 820521370 /nfs/dbraw/zinc/52/13/70/820521370.db2.gz OQSPSBCSAFTCGK-WCQYABFASA-N 1 2 278.331 1.439 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCCOC1 ZINC001018112437 820587166 /nfs/dbraw/zinc/58/71/66/820587166.db2.gz KHRQXBWPGQPCEV-UXLLHSPISA-N 1 2 290.407 1.502 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCCOC1 ZINC001018112437 820587222 /nfs/dbraw/zinc/58/72/22/820587222.db2.gz KHRQXBWPGQPCEV-UXLLHSPISA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001030871995 820649344 /nfs/dbraw/zinc/64/93/44/820649344.db2.gz JPLOGDAFMPYDTL-UHFFFAOYSA-N 1 2 280.730 1.916 20 30 CDEDLO C=CCC1(C(=O)NCC[N@H+]2CCOC[C@H]2CC)CCC1 ZINC000874705970 820714879 /nfs/dbraw/zinc/71/48/79/820714879.db2.gz IXVZLXRXGICZKY-CQSZACIVSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CCC1(C(=O)NCC[N@@H+]2CCOC[C@H]2CC)CCC1 ZINC000874705970 820714899 /nfs/dbraw/zinc/71/48/99/820714899.db2.gz IXVZLXRXGICZKY-CQSZACIVSA-N 1 2 280.412 1.960 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnn1CC ZINC001017504469 820802528 /nfs/dbraw/zinc/80/25/28/820802528.db2.gz OOJLTFYDPJNMNQ-OKILXGFUSA-N 1 2 286.379 1.215 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnn1CC ZINC001017504469 820802529 /nfs/dbraw/zinc/80/25/29/820802529.db2.gz OOJLTFYDPJNMNQ-OKILXGFUSA-N 1 2 286.379 1.215 20 30 CDEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)C(C)(C)C ZINC000812021723 820841173 /nfs/dbraw/zinc/84/11/73/820841173.db2.gz YSFUTVUIHFLGJL-CHWSQXEVSA-N 1 2 281.400 1.054 20 30 CDEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)C(C)(C)C ZINC000812021723 820841174 /nfs/dbraw/zinc/84/11/74/820841174.db2.gz YSFUTVUIHFLGJL-CHWSQXEVSA-N 1 2 281.400 1.054 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2ccccc2OC)C1 ZINC001044267139 820842320 /nfs/dbraw/zinc/84/23/20/820842320.db2.gz RPPDTNUYBBRQOC-UHFFFAOYSA-N 1 2 288.391 1.956 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H]2CCN(C(=O)C=C(C)C)C[C@H]21 ZINC001074151252 820879664 /nfs/dbraw/zinc/87/96/64/820879664.db2.gz JYTRRXSTCOKGTP-ZIAGYGMSSA-N 1 2 264.369 1.440 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C=C(C)C)C[C@H]21 ZINC001074151252 820879665 /nfs/dbraw/zinc/87/96/65/820879665.db2.gz JYTRRXSTCOKGTP-ZIAGYGMSSA-N 1 2 264.369 1.440 20 30 CDEDLO C[C@H](C#N)CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000182614037 820888363 /nfs/dbraw/zinc/88/83/63/820888363.db2.gz AWWFEFBCKKCJIM-GFCCVEGCSA-N 1 2 283.335 1.831 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cnn(C)c2)CC[C@H]1C ZINC001071338797 820893122 /nfs/dbraw/zinc/89/31/22/820893122.db2.gz ZJTYHKMUBWHYHX-DGCLKSJQSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cnn(C)c2)CC[C@H]1C ZINC001071338797 820893124 /nfs/dbraw/zinc/89/31/24/820893124.db2.gz ZJTYHKMUBWHYHX-DGCLKSJQSA-N 1 2 296.802 1.755 20 30 CDEDLO Cn1nccc1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000877745138 820988022 /nfs/dbraw/zinc/98/80/22/820988022.db2.gz HBSYXCUBOJKCLF-UHFFFAOYSA-N 1 2 281.363 1.614 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)ncn1 ZINC001027828863 821058110 /nfs/dbraw/zinc/05/81/10/821058110.db2.gz QKPHERGSMBYGEA-GFCCVEGCSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)ncn1 ZINC001027828863 821058121 /nfs/dbraw/zinc/05/81/21/821058121.db2.gz QKPHERGSMBYGEA-GFCCVEGCSA-N 1 2 294.786 1.732 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1cccs1 ZINC000884052529 821064879 /nfs/dbraw/zinc/06/48/79/821064879.db2.gz RIDMYOYYNRJIBH-NSHDSACASA-N 1 2 282.365 1.153 20 30 CDEDLO C#Cc1cccc(NC(=O)NCc2c[nH+]cn2C)c1 ZINC000809871773 821066830 /nfs/dbraw/zinc/06/68/30/821066830.db2.gz LOWMRVWTYHOTLA-UHFFFAOYSA-N 1 2 254.293 1.723 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(F)(F)c2nccs2)C1 ZINC000923564186 821090138 /nfs/dbraw/zinc/09/01/38/821090138.db2.gz OEEPSALAFFDBGZ-SNVBAGLBSA-N 1 2 299.346 1.449 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(F)(F)c2nccs2)C1 ZINC000923564186 821090147 /nfs/dbraw/zinc/09/01/47/821090147.db2.gz OEEPSALAFFDBGZ-SNVBAGLBSA-N 1 2 299.346 1.449 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2c1O[C@@H](C)C2 ZINC001038542676 821312661 /nfs/dbraw/zinc/31/26/61/821312661.db2.gz NNYBQUYEWFQQCQ-DZGCQCFKSA-N 1 2 298.386 1.837 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2c1O[C@@H](C)C2 ZINC001038542676 821312671 /nfs/dbraw/zinc/31/26/71/821312671.db2.gz NNYBQUYEWFQQCQ-DZGCQCFKSA-N 1 2 298.386 1.837 20 30 CDEDLO C#C[C@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000174442124 821332603 /nfs/dbraw/zinc/33/26/03/821332603.db2.gz JRGWPXKGZFCMSV-JTQLQIEISA-N 1 2 285.259 1.959 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccsc1 ZINC001017322080 821369506 /nfs/dbraw/zinc/36/95/06/821369506.db2.gz QXSHIYZYAPBYBB-OKILXGFUSA-N 1 2 274.389 1.599 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccsc1 ZINC001017322080 821369519 /nfs/dbraw/zinc/36/95/19/821369519.db2.gz QXSHIYZYAPBYBB-OKILXGFUSA-N 1 2 274.389 1.599 20 30 CDEDLO Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC000932164286 821389020 /nfs/dbraw/zinc/38/90/20/821389020.db2.gz YYCDSDPBXOOHKT-HUUCEWRRSA-N 1 2 274.364 1.970 20 30 CDEDLO Cc1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC000932164286 821389030 /nfs/dbraw/zinc/38/90/30/821389030.db2.gz YYCDSDPBXOOHKT-HUUCEWRRSA-N 1 2 274.364 1.970 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(NC(C)=O)c1 ZINC001039017386 821478973 /nfs/dbraw/zinc/47/89/73/821478973.db2.gz OGNNXNRSOLDDBY-MRXNPFEDSA-N 1 2 299.374 1.472 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(NC(C)=O)c1 ZINC001039017386 821478988 /nfs/dbraw/zinc/47/89/88/821478988.db2.gz OGNNXNRSOLDDBY-MRXNPFEDSA-N 1 2 299.374 1.472 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C(C)C)no2)C1 ZINC001043999699 821551304 /nfs/dbraw/zinc/55/13/04/821551304.db2.gz CHKAZGTYBWUANO-UHFFFAOYSA-N 1 2 275.352 1.578 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001010458908 821752857 /nfs/dbraw/zinc/75/28/57/821752857.db2.gz XZSVPZOYKGSRIE-SNVBAGLBSA-N 1 2 281.743 1.344 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001010458908 821752879 /nfs/dbraw/zinc/75/28/79/821752879.db2.gz XZSVPZOYKGSRIE-SNVBAGLBSA-N 1 2 281.743 1.344 20 30 CDEDLO CN(C)c1[nH+]cc(CN=Nc2ncccc2[N+](=O)[O-])n1C ZINC000811644766 821800255 /nfs/dbraw/zinc/80/02/55/821800255.db2.gz JTVPDSROBUADPB-UHFFFAOYSA-N 1 2 289.299 1.235 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001050053784 821803271 /nfs/dbraw/zinc/80/32/71/821803271.db2.gz VMMGXMRAPIVGCS-AXFHLTTASA-N 1 2 294.292 1.996 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001050053784 821803276 /nfs/dbraw/zinc/80/32/76/821803276.db2.gz VMMGXMRAPIVGCS-AXFHLTTASA-N 1 2 294.292 1.996 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(F)c1F ZINC001032594460 821814214 /nfs/dbraw/zinc/81/42/14/821814214.db2.gz WCDJMWGIFKDVBC-RYUDHWBXSA-N 1 2 290.313 1.887 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(F)c1F ZINC001032594460 821814217 /nfs/dbraw/zinc/81/42/17/821814217.db2.gz WCDJMWGIFKDVBC-RYUDHWBXSA-N 1 2 290.313 1.887 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cccnn2)C1 ZINC001046719749 821821217 /nfs/dbraw/zinc/82/12/17/821821217.db2.gz PARRVAMUBIXRJG-ZDUSSCGKSA-N 1 2 280.759 1.423 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cccnn2)C1 ZINC001046719749 821821219 /nfs/dbraw/zinc/82/12/19/821821219.db2.gz PARRVAMUBIXRJG-ZDUSSCGKSA-N 1 2 280.759 1.423 20 30 CDEDLO Cc1cc[nH+]c(N2CCN(Cc3cncc(C#N)c3)CC2)c1 ZINC000929846483 821834757 /nfs/dbraw/zinc/83/47/57/821834757.db2.gz QVFRUSNVSAPKLJ-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO Cc1ncc(CO[NH+]=C(N)c2ccc(F)cc2)cn1 ZINC000795204052 821837909 /nfs/dbraw/zinc/83/79/09/821837909.db2.gz UPSBQBVFAPXNPQ-UHFFFAOYSA-N 1 2 260.272 1.761 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncoc1CC ZINC001017438352 821888845 /nfs/dbraw/zinc/88/88/45/821888845.db2.gz QNNBHEYHEMNINF-TXEJJXNPSA-N 1 2 275.352 1.712 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncoc1CC ZINC001017438352 821888847 /nfs/dbraw/zinc/88/88/47/821888847.db2.gz QNNBHEYHEMNINF-TXEJJXNPSA-N 1 2 275.352 1.712 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2sc(C)nc2C)C1 ZINC001016207326 821898673 /nfs/dbraw/zinc/89/86/73/821898673.db2.gz KRBDNXLZXPOQJH-NSHDSACASA-N 1 2 263.366 1.197 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2sc(C)nc2C)C1 ZINC001016207326 821898674 /nfs/dbraw/zinc/89/86/74/821898674.db2.gz KRBDNXLZXPOQJH-NSHDSACASA-N 1 2 263.366 1.197 20 30 CDEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](CC(=C)C)C2)cn1 ZINC001044201280 822005242 /nfs/dbraw/zinc/00/52/42/822005242.db2.gz BCJDZGOEXYCZLQ-UHFFFAOYSA-N 1 2 269.348 1.395 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3cnccn3)CC2)cn1 ZINC000862423661 822021650 /nfs/dbraw/zinc/02/16/50/822021650.db2.gz XYIYWHDVHWQKBM-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO CC(=O)NC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000103141951 822057535 /nfs/dbraw/zinc/05/75/35/822057535.db2.gz OZNYPAGOTNTTTE-UHFFFAOYSA-N 1 2 275.327 1.798 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(F)c2C)C1 ZINC001035382928 822099566 /nfs/dbraw/zinc/09/95/66/822099566.db2.gz SSQDHCIOCKLWCN-ZDUSSCGKSA-N 1 2 292.354 1.751 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cccc(F)c2C)C1 ZINC001035382928 822099576 /nfs/dbraw/zinc/09/95/76/822099576.db2.gz SSQDHCIOCKLWCN-ZDUSSCGKSA-N 1 2 292.354 1.751 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2c[nH]nc2-c2ccncc2)C1 ZINC001043216669 822123619 /nfs/dbraw/zinc/12/36/19/822123619.db2.gz NXXOVWMZLHKXGX-UHFFFAOYSA-N 1 2 297.362 1.414 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2[nH]cnc21 ZINC001038848526 822158095 /nfs/dbraw/zinc/15/80/95/822158095.db2.gz PMAUVAQGLVIKJD-LLVKDONJSA-N 1 2 268.320 1.000 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2[nH]cnc21 ZINC001038848526 822158109 /nfs/dbraw/zinc/15/81/09/822158109.db2.gz PMAUVAQGLVIKJD-LLVKDONJSA-N 1 2 268.320 1.000 20 30 CDEDLO CCOC(=O)C[C@@H](CC#N)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000870616489 822179247 /nfs/dbraw/zinc/17/92/47/822179247.db2.gz BPRFFLACOJXOFX-NWDGAFQWSA-N 1 2 293.323 1.613 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc3nnc(C)n3c2)C1 ZINC001043180738 822203486 /nfs/dbraw/zinc/20/34/86/822203486.db2.gz NUYAUMGSRDBQSW-UHFFFAOYSA-N 1 2 299.378 1.370 20 30 CDEDLO C[C@H]1C[C@@H](NCC#N)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001044647018 822205012 /nfs/dbraw/zinc/20/50/12/822205012.db2.gz HIRKWQYWRASJET-AAEUAGOBSA-N 1 2 297.362 1.669 20 30 CDEDLO CCCCCNC(=O)[C@@H](C#N)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845444151 822206771 /nfs/dbraw/zinc/20/67/71/822206771.db2.gz LIWBWQPKLNNDMT-STQMWFEESA-N 1 2 290.367 1.849 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Oc1ccccn1 ZINC001018182799 822229282 /nfs/dbraw/zinc/22/92/82/822229282.db2.gz KKUAABIXZDXHMK-SOUVJXGZSA-N 1 2 299.374 1.157 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Oc1ccccn1 ZINC001018182799 822229300 /nfs/dbraw/zinc/22/93/00/822229300.db2.gz KKUAABIXZDXHMK-SOUVJXGZSA-N 1 2 299.374 1.157 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc2c[nH]nc2c1 ZINC001032760384 822232653 /nfs/dbraw/zinc/23/26/53/822232653.db2.gz ZQRSXKGFIZRIPC-GJZGRUSLSA-N 1 2 294.358 1.024 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc2c[nH]nc2c1 ZINC001032760384 822232667 /nfs/dbraw/zinc/23/26/67/822232667.db2.gz ZQRSXKGFIZRIPC-GJZGRUSLSA-N 1 2 294.358 1.024 20 30 CDEDLO C[C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CN1CC#N ZINC001071679290 822233643 /nfs/dbraw/zinc/23/36/43/822233643.db2.gz LEBNFTOVYFWEHA-STQMWFEESA-N 1 2 297.362 1.441 20 30 CDEDLO CC[N@@H+](Cc1cccc(S(N)(=O)=O)c1)C[C@H](C)C#N ZINC000876617291 822250976 /nfs/dbraw/zinc/25/09/76/822250976.db2.gz JLNNKHCBSFMUON-LLVKDONJSA-N 1 2 281.381 1.316 20 30 CDEDLO CC[N@H+](Cc1cccc(S(N)(=O)=O)c1)C[C@H](C)C#N ZINC000876617291 822250990 /nfs/dbraw/zinc/25/09/90/822250990.db2.gz JLNNKHCBSFMUON-LLVKDONJSA-N 1 2 281.381 1.316 20 30 CDEDLO CN(C)c1ncc(C=[NH+]OCC(F)(F)F)n1C ZINC000811645602 822293116 /nfs/dbraw/zinc/29/31/16/822293116.db2.gz TUYBQFBOOGBHPH-UHFFFAOYSA-N 1 2 250.224 1.399 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCOC2)C1 ZINC001032950395 822375444 /nfs/dbraw/zinc/37/54/44/822375444.db2.gz FCBRJEXAOOROBT-STQMWFEESA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCOC2)C1 ZINC001032950395 822375451 /nfs/dbraw/zinc/37/54/51/822375451.db2.gz FCBRJEXAOOROBT-STQMWFEESA-N 1 2 286.803 1.698 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2nccnc2c1 ZINC001038995717 822395864 /nfs/dbraw/zinc/39/58/64/822395864.db2.gz NWSKUBLCLGOFFE-CYBMUJFWSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2nccnc2c1 ZINC001038995717 822395867 /nfs/dbraw/zinc/39/58/67/822395867.db2.gz NWSKUBLCLGOFFE-CYBMUJFWSA-N 1 2 280.331 1.067 20 30 CDEDLO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794636969 822396716 /nfs/dbraw/zinc/39/67/16/822396716.db2.gz ROBOXZFISOAEJY-MNOVXSKESA-N 1 2 295.412 1.210 20 30 CDEDLO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794636969 822396720 /nfs/dbraw/zinc/39/67/20/822396720.db2.gz ROBOXZFISOAEJY-MNOVXSKESA-N 1 2 295.412 1.210 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(OCC#C)cc2)C1 ZINC001044020484 822405829 /nfs/dbraw/zinc/40/58/29/822405829.db2.gz UWVDQRDDQFORSC-UHFFFAOYSA-N 1 2 296.370 1.478 20 30 CDEDLO C#CCOc1ccc(C[NH2+]Cc2cnn(CC)n2)cc1 ZINC000839128016 822414849 /nfs/dbraw/zinc/41/48/49/822414849.db2.gz BNFHGZXWJCTVCY-UHFFFAOYSA-N 1 2 270.336 1.600 20 30 CDEDLO C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)C2=NC(=O)N(C)C2)C1 ZINC000989396915 822424041 /nfs/dbraw/zinc/42/40/41/822424041.db2.gz HSGPTKOBXJVRMY-UWVGGRQHSA-N 1 2 298.774 1.071 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)CCOC2 ZINC001038498296 822428017 /nfs/dbraw/zinc/42/80/17/822428017.db2.gz YCWHRKYAVNJEJW-MRXNPFEDSA-N 1 2 284.359 1.197 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)CCOC2 ZINC001038498296 822428024 /nfs/dbraw/zinc/42/80/24/822428024.db2.gz YCWHRKYAVNJEJW-MRXNPFEDSA-N 1 2 284.359 1.197 20 30 CDEDLO C#CC1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000844045750 822492668 /nfs/dbraw/zinc/49/26/68/822492668.db2.gz NREPYEDUSRIQRX-ZDUSSCGKSA-N 1 2 257.337 1.317 20 30 CDEDLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001032235773 822497223 /nfs/dbraw/zinc/49/72/23/822497223.db2.gz QKNJVYMZJINLKO-HOTGVXAUSA-N 1 2 288.778 1.997 20 30 CDEDLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001032235773 822497224 /nfs/dbraw/zinc/49/72/24/822497224.db2.gz QKNJVYMZJINLKO-HOTGVXAUSA-N 1 2 288.778 1.997 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cc(OC)c1C ZINC001032500378 822530698 /nfs/dbraw/zinc/53/06/98/822530698.db2.gz UGDIUGOYPCRTCV-GJZGRUSLSA-N 1 2 298.386 1.844 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cc(OC)c1C ZINC001032500378 822530702 /nfs/dbraw/zinc/53/07/02/822530702.db2.gz UGDIUGOYPCRTCV-GJZGRUSLSA-N 1 2 298.386 1.844 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2cc(OC)ccc21 ZINC001038335203 822555016 /nfs/dbraw/zinc/55/50/16/822555016.db2.gz UQSLXVWPITVEEZ-RHSMWYFYSA-N 1 2 298.386 1.549 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2cc(OC)ccc21 ZINC001038335203 822555021 /nfs/dbraw/zinc/55/50/21/822555021.db2.gz UQSLXVWPITVEEZ-RHSMWYFYSA-N 1 2 298.386 1.549 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cc(C)on2)C1 ZINC001006942293 822615102 /nfs/dbraw/zinc/61/51/02/822615102.db2.gz AGXSDYCCBSTLTN-LBPRGKRZSA-N 1 2 297.786 1.859 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cc(C)on2)C1 ZINC001006942293 822615111 /nfs/dbraw/zinc/61/51/11/822615111.db2.gz AGXSDYCCBSTLTN-LBPRGKRZSA-N 1 2 297.786 1.859 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)nc1 ZINC001032319522 822620564 /nfs/dbraw/zinc/62/05/64/822620564.db2.gz VYCLUCCNFNUKHI-STQMWFEESA-N 1 2 273.311 1.143 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)nc1 ZINC001032319522 822620573 /nfs/dbraw/zinc/62/05/73/822620573.db2.gz VYCLUCCNFNUKHI-STQMWFEESA-N 1 2 273.311 1.143 20 30 CDEDLO C#CCC[NH+]1CCN(S(=O)(=O)CC2(C)CCC2)CC1 ZINC000809391917 822629337 /nfs/dbraw/zinc/62/93/37/822629337.db2.gz BMVCGVKTSWADEC-UHFFFAOYSA-N 1 2 284.425 1.147 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC1(F)F)CO2 ZINC001053839372 822643555 /nfs/dbraw/zinc/64/35/55/822643555.db2.gz CYLCLIMHLAQJLC-RYUDHWBXSA-N 1 2 298.333 1.015 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNc2nc(Cl)c(C#N)cc2C#N)C1 ZINC001155196921 1167105635 /nfs/dbraw/zinc/10/56/35/1167105635.db2.gz QACBOSWIHORECK-NSHDSACASA-N 1 2 291.742 1.221 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNc2nc(Cl)c(C#N)cc2C#N)C1 ZINC001155196921 1167105639 /nfs/dbraw/zinc/10/56/39/1167105639.db2.gz QACBOSWIHORECK-NSHDSACASA-N 1 2 291.742 1.221 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@]1(C)CCOC1 ZINC001391007678 976639904 /nfs/dbraw/zinc/63/99/04/976639904.db2.gz XLXSOFDXXOGWPG-ZDUSSCGKSA-N 1 2 274.792 1.604 20 30 CDEDLO CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C1 ZINC001212255488 914917560 /nfs/dbraw/zinc/91/75/60/914917560.db2.gz MGEVJSRLRNTRRO-BFHYXJOUSA-N 1 2 298.402 1.599 20 30 CDEDLO CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C1 ZINC001212255488 914917583 /nfs/dbraw/zinc/91/75/83/914917583.db2.gz MGEVJSRLRNTRRO-BFHYXJOUSA-N 1 2 298.402 1.599 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](CC)SC ZINC001567277472 1168652736 /nfs/dbraw/zinc/65/27/36/1168652736.db2.gz CEJRBNGGRDZMPA-SNVBAGLBSA-N 1 2 264.822 1.929 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](CC)SC ZINC001567277472 1168652740 /nfs/dbraw/zinc/65/27/40/1168652740.db2.gz CEJRBNGGRDZMPA-SNVBAGLBSA-N 1 2 264.822 1.929 20 30 CDEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cc(C)n[nH]2)C1=O ZINC001272543605 913403992 /nfs/dbraw/zinc/40/39/92/913403992.db2.gz KBWMZBSMLZPHLV-MRXNPFEDSA-N 1 2 288.395 1.861 20 30 CDEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2cc(C)n[nH]2)C1=O ZINC001272543605 913403999 /nfs/dbraw/zinc/40/39/99/913403999.db2.gz KBWMZBSMLZPHLV-MRXNPFEDSA-N 1 2 288.395 1.861 20 30 CDEDLO C=CCN1CCC2(CC[NH+](Cc3cc(C)[nH]n3)CC2)C1=O ZINC001272543638 913405668 /nfs/dbraw/zinc/40/56/68/913405668.db2.gz OETGLLZGACSUGV-UHFFFAOYSA-N 1 2 288.395 1.719 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2nc(C3CC3)oc2C)C1 ZINC001031167516 913829869 /nfs/dbraw/zinc/82/98/69/913829869.db2.gz FBMOQZDNCDNZMB-UHFFFAOYSA-N 1 2 275.352 1.851 20 30 CDEDLO CC(=O)N(C)[C@H]1CC[N@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140756595 898205154 /nfs/dbraw/zinc/20/51/54/898205154.db2.gz NTHUOWYOEZIMHA-LBPRGKRZSA-N 1 2 293.317 1.889 20 30 CDEDLO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140756595 898205172 /nfs/dbraw/zinc/20/51/72/898205172.db2.gz NTHUOWYOEZIMHA-LBPRGKRZSA-N 1 2 293.317 1.889 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C(/C)CC)C[C@H]21 ZINC001177002264 914427180 /nfs/dbraw/zinc/42/71/80/914427180.db2.gz YDANVBBROJLVGW-MKQVVRHOSA-N 1 2 278.396 1.830 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C(/C)CC)C[C@H]21 ZINC001177002264 914427190 /nfs/dbraw/zinc/42/71/90/914427190.db2.gz YDANVBBROJLVGW-MKQVVRHOSA-N 1 2 278.396 1.830 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnccn1 ZINC001027731099 900775206 /nfs/dbraw/zinc/77/52/06/900775206.db2.gz GMRIMZXIOGQJIO-LLVKDONJSA-N 1 2 280.759 1.423 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnccn1 ZINC001027731099 900775212 /nfs/dbraw/zinc/77/52/12/900775212.db2.gz GMRIMZXIOGQJIO-LLVKDONJSA-N 1 2 280.759 1.423 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCCC=C)C[C@@H]21 ZINC001177087739 914486615 /nfs/dbraw/zinc/48/66/15/914486615.db2.gz GHHXAFWTGMCOLT-JKSUJKDBSA-N 1 2 290.407 1.668 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCC=C)C[C@@H]21 ZINC001177087739 914486627 /nfs/dbraw/zinc/48/66/27/914486627.db2.gz GHHXAFWTGMCOLT-JKSUJKDBSA-N 1 2 290.407 1.668 20 30 CDEDLO C=CCn1cc(C[NH+]2CCC(F)(C(=O)OCC)CC2)cn1 ZINC001139770277 901681889 /nfs/dbraw/zinc/68/18/89/901681889.db2.gz JYCZMUNWLOGBHB-UHFFFAOYSA-N 1 2 295.358 1.936 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CCOC)C1 ZINC001481710828 901888839 /nfs/dbraw/zinc/88/88/39/901888839.db2.gz RRMLOTDDAHVYGQ-NSHDSACASA-N 1 2 260.765 1.308 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CCOC)C1 ZINC001481710828 901888843 /nfs/dbraw/zinc/88/88/43/901888843.db2.gz RRMLOTDDAHVYGQ-NSHDSACASA-N 1 2 260.765 1.308 20 30 CDEDLO C=CCS(=O)(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000711092445 903705711 /nfs/dbraw/zinc/70/57/11/903705711.db2.gz HFUKLDFHZSKAQD-UHFFFAOYSA-N 1 2 292.404 1.320 20 30 CDEDLO C=CCONC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000838710286 904133667 /nfs/dbraw/zinc/13/36/67/904133667.db2.gz VXWSSTXYOTZPOG-NSHDSACASA-N 1 2 264.329 1.427 20 30 CDEDLO Cc1ccc(C#N)c(O[C@@H](C)C[NH+]2CCOCC2)c1 ZINC001226754135 905573046 /nfs/dbraw/zinc/57/30/46/905573046.db2.gz MXMRSLAJNPEAFG-ZDUSSCGKSA-N 1 2 260.337 1.966 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001128241649 921221773 /nfs/dbraw/zinc/22/17/73/921221773.db2.gz ACLOWQXTJPKDHY-UHFFFAOYSA-N 1 2 266.345 1.186 20 30 CDEDLO C=C(C)C(=O)OCCNc1cc2c(c[nH+]1)CC(=O)N2 ZINC001168071109 906659742 /nfs/dbraw/zinc/65/97/42/906659742.db2.gz YNTRWHHOAOLIML-UHFFFAOYSA-N 1 2 261.281 1.107 20 30 CDEDLO C=CC(C)(C)C(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128436904 921303137 /nfs/dbraw/zinc/30/31/37/921303137.db2.gz DPHDRMDMMPCQNF-UHFFFAOYSA-N 1 2 276.384 1.547 20 30 CDEDLO C=CC(C)(C)C(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128436904 921303139 /nfs/dbraw/zinc/30/31/39/921303139.db2.gz DPHDRMDMMPCQNF-UHFFFAOYSA-N 1 2 276.384 1.547 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccn2C)[C@H]1C ZINC001088472530 907390185 /nfs/dbraw/zinc/39/01/85/907390185.db2.gz RTUYOFIJFYKABB-NEPJUHHUSA-N 1 2 281.787 1.970 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccn2C)[C@H]1C ZINC001088472530 907390200 /nfs/dbraw/zinc/39/02/00/907390200.db2.gz RTUYOFIJFYKABB-NEPJUHHUSA-N 1 2 281.787 1.970 20 30 CDEDLO C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3cn[nH]c32)[C@H]1C ZINC001088568479 907982919 /nfs/dbraw/zinc/98/29/19/907982919.db2.gz JLBJYUQCVFJZJY-XBFCOCLRSA-N 1 2 288.395 1.595 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3cn[nH]c32)[C@H]1C ZINC001088568479 907982931 /nfs/dbraw/zinc/98/29/31/907982931.db2.gz JLBJYUQCVFJZJY-XBFCOCLRSA-N 1 2 288.395 1.595 20 30 CDEDLO Cc1nc(N2C[C@@H](CNC(=O)[C@@H](C)C#N)[C@H](C)C2)cc[nH+]1 ZINC001092337043 909378568 /nfs/dbraw/zinc/37/85/68/909378568.db2.gz XOJIGQKSCFNPMT-DMDPSCGWSA-N 1 2 287.367 1.133 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001093189588 909692713 /nfs/dbraw/zinc/69/27/13/909692713.db2.gz CTWKGNCUBJBEGQ-QWHCGFSZSA-N 1 2 288.395 1.892 20 30 CDEDLO CCN(C(=O)[C@@H](C)C#N)[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102786584 910309855 /nfs/dbraw/zinc/30/98/55/910309855.db2.gz FQKAZECPHNBTIE-WCQYABFASA-N 1 2 287.367 1.372 20 30 CDEDLO N#Cc1ncc(Cl)cc1N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001168369725 910347639 /nfs/dbraw/zinc/34/76/39/910347639.db2.gz JPANVGJEZQMPEU-LLVKDONJSA-N 1 2 292.770 1.882 20 30 CDEDLO N#Cc1ncc(Cl)cc1N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001168369725 910347657 /nfs/dbraw/zinc/34/76/57/910347657.db2.gz JPANVGJEZQMPEU-LLVKDONJSA-N 1 2 292.770 1.882 20 30 CDEDLO C=CC(C)(C)C(=O)NCCCNc1cc[nH+]c(C)n1 ZINC001094708745 910727895 /nfs/dbraw/zinc/72/78/95/910727895.db2.gz CNTCLQGZYDBVEV-UHFFFAOYSA-N 1 2 262.357 1.915 20 30 CDEDLO CC#CCCCC(=O)NCCCNc1cc[nH+]c(C)n1 ZINC001094716961 910734862 /nfs/dbraw/zinc/73/48/62/910734862.db2.gz YLOGPRQZXJXQSE-UHFFFAOYSA-N 1 2 274.368 1.897 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCC[C@H](F)C2)C1 ZINC001030299291 911663642 /nfs/dbraw/zinc/66/36/42/911663642.db2.gz VCCSFXVVOKZVGV-NEPJUHHUSA-N 1 2 252.333 1.338 20 30 CDEDLO COC(=O)N1CCC([NH2+][C@](C)(C#N)C(C)C)CC1 ZINC001172732778 911872203 /nfs/dbraw/zinc/87/22/03/911872203.db2.gz XGJHHXHHNAYZHG-CYBMUJFWSA-N 1 2 253.346 1.745 20 30 CDEDLO COC(=O)[C@H](CS)[NH2+][C@@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172767830 911940446 /nfs/dbraw/zinc/94/04/46/911940446.db2.gz LOYDNCDLWPFAAA-MXWKQRLJSA-N 1 2 289.397 1.169 20 30 CDEDLO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccns1 ZINC001089650066 915089814 /nfs/dbraw/zinc/08/98/14/915089814.db2.gz SXRIFOOZSKUYKB-LBPRGKRZSA-N 1 2 291.420 1.997 20 30 CDEDLO C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccns1 ZINC001089650066 915089833 /nfs/dbraw/zinc/08/98/33/915089833.db2.gz SXRIFOOZSKUYKB-LBPRGKRZSA-N 1 2 291.420 1.997 20 30 CDEDLO N#C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178105421 915176279 /nfs/dbraw/zinc/17/62/79/915176279.db2.gz UUXFIYAZGONTNQ-NEPJUHHUSA-N 1 2 258.325 1.350 20 30 CDEDLO CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cn[nH]n1 ZINC001089663869 915249120 /nfs/dbraw/zinc/24/91/20/915249120.db2.gz WWPQQBZZZAYKFK-LBPRGKRZSA-N 1 2 289.383 1.048 20 30 CDEDLO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cn[nH]n1 ZINC001089663869 915249139 /nfs/dbraw/zinc/24/91/39/915249139.db2.gz WWPQQBZZZAYKFK-LBPRGKRZSA-N 1 2 289.383 1.048 20 30 CDEDLO CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cnn[nH]1 ZINC001089663869 915249151 /nfs/dbraw/zinc/24/91/51/915249151.db2.gz WWPQQBZZZAYKFK-LBPRGKRZSA-N 1 2 289.383 1.048 20 30 CDEDLO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cnn[nH]1 ZINC001089663869 915249166 /nfs/dbraw/zinc/24/91/66/915249166.db2.gz WWPQQBZZZAYKFK-LBPRGKRZSA-N 1 2 289.383 1.048 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@H]([NH2+]Cc2nc(C)no2)[C@@H]1C ZINC001178798716 915630845 /nfs/dbraw/zinc/63/08/45/915630845.db2.gz NWRSQJDECHNPDX-AAEUAGOBSA-N 1 2 292.383 1.813 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001124495134 936319957 /nfs/dbraw/zinc/31/99/57/936319957.db2.gz MWZSLOQVGWZJPK-GHMZBOCLSA-N 1 2 296.371 1.126 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc3nccnc3c2)CC1 ZINC001181019799 916765348 /nfs/dbraw/zinc/76/53/48/916765348.db2.gz CWXNKQTWVOCOCL-UHFFFAOYSA-N 1 2 296.374 1.503 20 30 CDEDLO N#Cc1cccc(NC(=O)Cc2cc[nH+]c(N)c2)n1 ZINC001181229099 916937175 /nfs/dbraw/zinc/93/71/75/916937175.db2.gz GZABRMGTMWDKJT-UHFFFAOYSA-N 1 2 253.265 1.112 20 30 CDEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCF)c1 ZINC001097813102 936390784 /nfs/dbraw/zinc/39/07/84/936390784.db2.gz OMAQUXYWGWZAKE-KFWWJZLASA-N 1 2 287.338 1.368 20 30 CDEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCF)c1 ZINC001097813102 936390789 /nfs/dbraw/zinc/39/07/89/936390789.db2.gz OMAQUXYWGWZAKE-KFWWJZLASA-N 1 2 287.338 1.368 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1coc(C)c1)O2 ZINC001053593431 936415973 /nfs/dbraw/zinc/41/59/73/936415973.db2.gz KLIRXOQJHAMRJV-CQSZACIVSA-N 1 2 290.363 1.737 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1n[nH]c2c1CCC2 ZINC001366545809 917593807 /nfs/dbraw/zinc/59/38/07/917593807.db2.gz NCKOPGPIJIEGOF-UHFFFAOYSA-N 1 2 282.775 1.313 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1n[nH]c2c1CCC2 ZINC001366545809 917593816 /nfs/dbraw/zinc/59/38/16/917593816.db2.gz NCKOPGPIJIEGOF-UHFFFAOYSA-N 1 2 282.775 1.313 20 30 CDEDLO COC(=O)CC[C@@H]1COCC[N@@H+]1[C@H]1CC[C@H](C#N)C1 ZINC001254678532 936443740 /nfs/dbraw/zinc/44/37/40/936443740.db2.gz FIADSHLMKMHOOA-RWMBFGLXSA-N 1 2 266.341 1.333 20 30 CDEDLO COC(=O)CC[C@@H]1COCC[N@H+]1[C@H]1CC[C@H](C#N)C1 ZINC001254678532 936443742 /nfs/dbraw/zinc/44/37/42/936443742.db2.gz FIADSHLMKMHOOA-RWMBFGLXSA-N 1 2 266.341 1.333 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001212349244 917878993 /nfs/dbraw/zinc/87/89/93/917878993.db2.gz MEMPKRBDOHZBIG-VXGBXAGGSA-N 1 2 258.337 1.128 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001212349244 917879030 /nfs/dbraw/zinc/87/90/30/917879030.db2.gz MEMPKRBDOHZBIG-VXGBXAGGSA-N 1 2 258.337 1.128 20 30 CDEDLO CC#CC[NH2+][C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001182718551 918071212 /nfs/dbraw/zinc/07/12/12/918071212.db2.gz GKWZXCJDTFDVSW-RKDXNWHRSA-N 1 2 266.238 1.101 20 30 CDEDLO CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001182718551 918071222 /nfs/dbraw/zinc/07/12/22/918071222.db2.gz GKWZXCJDTFDVSW-RKDXNWHRSA-N 1 2 266.238 1.101 20 30 CDEDLO C=CC[NH+]1CC(n2cc(CNC(=O)/C(C)=C/CC)nn2)C1 ZINC001107140816 918202917 /nfs/dbraw/zinc/20/29/17/918202917.db2.gz WMNPICAYIFJFPY-WUXMJOGZSA-N 1 2 289.383 1.293 20 30 CDEDLO C=CCCC(=O)N[C@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001107647287 918556389 /nfs/dbraw/zinc/55/63/89/918556389.db2.gz JGDOOVOEQOQCOU-SNVBAGLBSA-N 1 2 288.355 1.246 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CSC(C)C)C1 ZINC001107753413 918738812 /nfs/dbraw/zinc/73/88/12/918738812.db2.gz DVJUFQRAUIPIIV-CQSZACIVSA-N 1 2 286.441 1.521 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CSC(C)C)C1 ZINC001107753413 918738818 /nfs/dbraw/zinc/73/88/18/918738818.db2.gz DVJUFQRAUIPIIV-CQSZACIVSA-N 1 2 286.441 1.521 20 30 CDEDLO C=CCOC(=O)N1CC[NH+](Cc2ncccc2O)CC1 ZINC001138397142 936532490 /nfs/dbraw/zinc/53/24/90/936532490.db2.gz VEKSKHUMDCUAOJ-UHFFFAOYSA-N 1 2 277.324 1.227 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001107804645 918812387 /nfs/dbraw/zinc/81/23/87/918812387.db2.gz LWERSHQDKOJCAS-MNOVXSKESA-N 1 2 278.356 1.293 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]ccc2n1 ZINC001038519385 919154347 /nfs/dbraw/zinc/15/43/47/919154347.db2.gz VKSLMJIWNQWQDA-LLVKDONJSA-N 1 2 268.320 1.000 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]ccc2n1 ZINC001038519385 919154355 /nfs/dbraw/zinc/15/43/55/919154355.db2.gz VKSLMJIWNQWQDA-LLVKDONJSA-N 1 2 268.320 1.000 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)c1cc(C)ccn1 ZINC001032473173 919177053 /nfs/dbraw/zinc/17/70/53/919177053.db2.gz FFVOJJOITRZFRV-GJZGRUSLSA-N 1 2 297.402 1.586 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)c1cc(C)ccn1 ZINC001032473173 919177061 /nfs/dbraw/zinc/17/70/61/919177061.db2.gz FFVOJJOITRZFRV-GJZGRUSLSA-N 1 2 297.402 1.586 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cccc3ccnn32)CC1 ZINC001138806905 936570762 /nfs/dbraw/zinc/57/07/62/936570762.db2.gz STFZALIZBBNFCM-UHFFFAOYSA-N 1 2 269.352 1.366 20 30 CDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ncccn1 ZINC001272796536 919307991 /nfs/dbraw/zinc/30/79/91/919307991.db2.gz SBQNBPJSGSLFRM-ZIAGYGMSSA-N 1 2 286.379 1.618 20 30 CDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ncccn1 ZINC001272796536 919308004 /nfs/dbraw/zinc/30/80/04/919308004.db2.gz SBQNBPJSGSLFRM-ZIAGYGMSSA-N 1 2 286.379 1.618 20 30 CDEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(F)cn2)C1=O ZINC001272803578 919330263 /nfs/dbraw/zinc/33/02/63/919330263.db2.gz VIOLXKBCBKCTBA-INIZCTEOSA-N 1 2 287.338 1.421 20 30 CDEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(F)cn2)C1=O ZINC001272803578 919330279 /nfs/dbraw/zinc/33/02/79/919330279.db2.gz VIOLXKBCBKCTBA-INIZCTEOSA-N 1 2 287.338 1.421 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc([C@H]3C[C@H]3C)nc2)CC1 ZINC001185126343 919437152 /nfs/dbraw/zinc/43/71/52/919437152.db2.gz ISUCMQXQHSBZKE-OCCSQVGLSA-N 1 2 286.379 1.544 20 30 CDEDLO C[C@]1(CO)CC[N@H+](Cc2cccc(Cl)c2C#N)C[C@H]1O ZINC001139687573 936635692 /nfs/dbraw/zinc/63/56/92/936635692.db2.gz SPJUWVCRVAQNQR-HUUCEWRRSA-N 1 2 294.782 1.777 20 30 CDEDLO C[C@]1(CO)CC[N@@H+](Cc2cccc(Cl)c2C#N)C[C@H]1O ZINC001139687573 936635694 /nfs/dbraw/zinc/63/56/94/936635694.db2.gz SPJUWVCRVAQNQR-HUUCEWRRSA-N 1 2 294.782 1.777 20 30 CDEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccnnc1)CC2 ZINC001139981813 936664715 /nfs/dbraw/zinc/66/47/15/936664715.db2.gz UIJBOAJDHZIANN-UHFFFAOYSA-N 1 2 250.305 1.907 20 30 CDEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1ccnnc1)CC2 ZINC001139981813 936664716 /nfs/dbraw/zinc/66/47/16/936664716.db2.gz UIJBOAJDHZIANN-UHFFFAOYSA-N 1 2 250.305 1.907 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2cnc3[nH]ccc3c2)CC1 ZINC001187551287 920574756 /nfs/dbraw/zinc/57/47/56/920574756.db2.gz VQSKCCOHNYWCGW-UHFFFAOYSA-N 1 2 298.390 1.826 20 30 CDEDLO CC1(C#N)CN(C(=O)c2ccccc2-n2cc[nH+]c2)C1 ZINC001190075597 921830264 /nfs/dbraw/zinc/83/02/64/921830264.db2.gz ZJIGUUYZGCJQAG-UHFFFAOYSA-N 1 2 266.304 1.858 20 30 CDEDLO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(F)F)C[C@H]21 ZINC001074137132 936733734 /nfs/dbraw/zinc/73/37/34/936733734.db2.gz MYHHDNXUHALZBT-VXGBXAGGSA-N 1 2 288.338 1.519 20 30 CDEDLO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)C(F)F)C[C@H]21 ZINC001074137132 936733736 /nfs/dbraw/zinc/73/37/36/936733736.db2.gz MYHHDNXUHALZBT-VXGBXAGGSA-N 1 2 288.338 1.519 20 30 CDEDLO C=CCC1(S(=O)(=O)N2CC[NH+](CCC)CC2)CC1 ZINC001190794397 922206487 /nfs/dbraw/zinc/20/64/87/922206487.db2.gz RDFJIODLDNYGCR-UHFFFAOYSA-N 1 2 272.414 1.453 20 30 CDEDLO C=CCC1(S(=O)(=O)NCC[NH+]2CCSCC2)CC1 ZINC001190824221 922230510 /nfs/dbraw/zinc/23/05/10/922230510.db2.gz MRJLWNUZWNOGAL-UHFFFAOYSA-N 1 2 290.454 1.063 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc3ccncc3s2)C1 ZINC001014732520 922253063 /nfs/dbraw/zinc/25/30/63/922253063.db2.gz UZLSUQKEDLEQTP-GFCCVEGCSA-N 1 2 285.372 1.734 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc3ccncc3s2)C1 ZINC001014732520 922253077 /nfs/dbraw/zinc/25/30/77/922253077.db2.gz UZLSUQKEDLEQTP-GFCCVEGCSA-N 1 2 285.372 1.734 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccnn2)C1 ZINC001033995683 922445701 /nfs/dbraw/zinc/44/57/01/922445701.db2.gz BZSLNLGMQSFDMS-GFCCVEGCSA-N 1 2 294.786 1.766 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccnn2)C1 ZINC001033995683 922445715 /nfs/dbraw/zinc/44/57/15/922445715.db2.gz BZSLNLGMQSFDMS-GFCCVEGCSA-N 1 2 294.786 1.766 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CC(C)=C(C)C)C1 ZINC001108124288 922576075 /nfs/dbraw/zinc/57/60/75/922576075.db2.gz HUTAJOILPXDXPL-QGZVFWFLSA-N 1 2 292.423 1.963 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CC(C)=C(C)C)C1 ZINC001108124288 922576091 /nfs/dbraw/zinc/57/60/91/922576091.db2.gz HUTAJOILPXDXPL-QGZVFWFLSA-N 1 2 292.423 1.963 20 30 CDEDLO CC1(C)CC[C@@H](CNC(=O)Cn2cc[nH+]c2)N(CC#N)C1 ZINC001099358952 936786644 /nfs/dbraw/zinc/78/66/44/936786644.db2.gz LRAIWFFMDJSCAY-ZDUSSCGKSA-N 1 2 289.383 1.013 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(F)c(O)c(F)c2)CC1 ZINC001140990876 936787461 /nfs/dbraw/zinc/78/74/61/936787461.db2.gz UDZCPYRSTSEIFT-UHFFFAOYSA-N 1 2 266.291 1.421 20 30 CDEDLO C#CCC1(C(=O)NCC[NH2+][C@H](C)c2nc(C)no2)CCC1 ZINC001129141976 922949416 /nfs/dbraw/zinc/94/94/16/922949416.db2.gz AMGCKQATJSYSQN-LLVKDONJSA-N 1 2 290.367 1.338 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2oc(C)cc2C)C1 ZINC001035327561 922968353 /nfs/dbraw/zinc/96/83/53/922968353.db2.gz WIXGJYUIKXMKAR-CQSZACIVSA-N 1 2 290.363 1.350 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2oc(C)cc2C)C1 ZINC001035327561 922968360 /nfs/dbraw/zinc/96/83/60/922968360.db2.gz WIXGJYUIKXMKAR-CQSZACIVSA-N 1 2 290.363 1.350 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC(C)C)[C@@H](O)C1 ZINC001099662972 936798402 /nfs/dbraw/zinc/79/84/02/936798402.db2.gz HIPRBYDOXZATBS-STQMWFEESA-N 1 2 288.819 1.727 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC(C)C)[C@@H](O)C1 ZINC001099662972 936798403 /nfs/dbraw/zinc/79/84/03/936798403.db2.gz HIPRBYDOXZATBS-STQMWFEESA-N 1 2 288.819 1.727 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2CCC(=C)CC2)C1 ZINC001035504051 922995127 /nfs/dbraw/zinc/99/51/27/922995127.db2.gz ZDJPTGGRRYAWON-HNNXBMFYSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C2CCC(=C)CC2)C1 ZINC001035504051 922995135 /nfs/dbraw/zinc/99/51/35/922995135.db2.gz ZDJPTGGRRYAWON-HNNXBMFYSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001035498264 922998273 /nfs/dbraw/zinc/99/82/73/922998273.db2.gz ZJLLGKQCLCXXNS-ZIAGYGMSSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001035498264 922998276 /nfs/dbraw/zinc/99/82/76/922998276.db2.gz ZJLLGKQCLCXXNS-ZIAGYGMSSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(C#N)c1O ZINC001193658969 923847182 /nfs/dbraw/zinc/84/71/82/923847182.db2.gz ICCGZPHMKASJRO-ZDUSSCGKSA-N 1 2 285.347 1.644 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(C#N)c1O ZINC001193658969 923847192 /nfs/dbraw/zinc/84/71/92/923847192.db2.gz ICCGZPHMKASJRO-ZDUSSCGKSA-N 1 2 285.347 1.644 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](Cc2cn3c(n2)COCC3)C1 ZINC001141535235 936894161 /nfs/dbraw/zinc/89/41/61/936894161.db2.gz UWFGRGVKCONGMX-GFCCVEGCSA-N 1 2 260.341 1.539 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](Cc2cn3c(n2)COCC3)C1 ZINC001141535235 936894163 /nfs/dbraw/zinc/89/41/63/936894163.db2.gz UWFGRGVKCONGMX-GFCCVEGCSA-N 1 2 260.341 1.539 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)F)C1 ZINC001079351441 924273021 /nfs/dbraw/zinc/27/30/21/924273021.db2.gz UVXCTECSQOPXMG-PSASIEDQSA-N 1 2 262.756 1.924 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)F)C1 ZINC001079351441 924273026 /nfs/dbraw/zinc/27/30/26/924273026.db2.gz UVXCTECSQOPXMG-PSASIEDQSA-N 1 2 262.756 1.924 20 30 CDEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC001194655000 924298489 /nfs/dbraw/zinc/29/84/89/924298489.db2.gz BHDINSDFIALWFL-UHFFFAOYSA-N 1 2 276.336 1.077 20 30 CDEDLO COCC#CC[N@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC001194655000 924298498 /nfs/dbraw/zinc/29/84/98/924298498.db2.gz BHDINSDFIALWFL-UHFFFAOYSA-N 1 2 276.336 1.077 20 30 CDEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](F)CC)C[C@H]2O)CC1 ZINC001195906353 924764012 /nfs/dbraw/zinc/76/40/12/924764012.db2.gz XKJRNSWFRJCWMH-BFHYXJOUSA-N 1 2 298.402 1.642 20 30 CDEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](F)CC)C[C@H]2O)CC1 ZINC001195906353 924764016 /nfs/dbraw/zinc/76/40/16/924764016.db2.gz XKJRNSWFRJCWMH-BFHYXJOUSA-N 1 2 298.402 1.642 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(F)=C2CCCC2)[C@H](OC)C1 ZINC001081537748 924766314 /nfs/dbraw/zinc/76/63/14/924766314.db2.gz VAQMXNRJTWVIGC-CHWSQXEVSA-N 1 2 280.343 1.233 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(F)=C2CCCC2)[C@H](OC)C1 ZINC001081537748 924766319 /nfs/dbraw/zinc/76/63/19/924766319.db2.gz VAQMXNRJTWVIGC-CHWSQXEVSA-N 1 2 280.343 1.233 20 30 CDEDLO C=C(C)CCC(=O)N1CCC[N@@H+](CC(=O)NCCC)CC1 ZINC001196009829 924784372 /nfs/dbraw/zinc/78/43/72/924784372.db2.gz DXOYXXRUNBZYNX-UHFFFAOYSA-N 1 2 295.427 1.403 20 30 CDEDLO C=C(C)CCC(=O)N1CCC[N@H+](CC(=O)NCCC)CC1 ZINC001196009829 924784378 /nfs/dbraw/zinc/78/43/78/924784378.db2.gz DXOYXXRUNBZYNX-UHFFFAOYSA-N 1 2 295.427 1.403 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C)c2F)[C@H](OC)C1 ZINC001081716424 924784652 /nfs/dbraw/zinc/78/46/52/924784652.db2.gz LCIIGHFGVCXXEF-ZIAGYGMSSA-N 1 2 290.338 1.196 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(C)c2F)[C@H](OC)C1 ZINC001081716424 924784657 /nfs/dbraw/zinc/78/46/57/924784657.db2.gz LCIIGHFGVCXXEF-ZIAGYGMSSA-N 1 2 290.338 1.196 20 30 CDEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(Cl)o3)[C@H]2C1 ZINC001083001440 925068021 /nfs/dbraw/zinc/06/80/21/925068021.db2.gz MRPMITAWGMNWIY-CMPLNLGQSA-N 1 2 296.754 1.644 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(Cl)o3)[C@H]2C1 ZINC001083001440 925068030 /nfs/dbraw/zinc/06/80/30/925068030.db2.gz MRPMITAWGMNWIY-CMPLNLGQSA-N 1 2 296.754 1.644 20 30 CDEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3oc(C)nc3C)[C@H]2C1 ZINC001083035371 925081985 /nfs/dbraw/zinc/08/19/85/925081985.db2.gz OKPQLSAJAHIRSF-QWHCGFSZSA-N 1 2 291.351 1.003 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3oc(C)nc3C)[C@H]2C1 ZINC001083035371 925081993 /nfs/dbraw/zinc/08/19/93/925081993.db2.gz OKPQLSAJAHIRSF-QWHCGFSZSA-N 1 2 291.351 1.003 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C3CCC(=C)CC3)[C@H]2C1 ZINC001083183405 925116731 /nfs/dbraw/zinc/11/67/31/925116731.db2.gz CUMZPTGYQNIUOI-JKSUJKDBSA-N 1 2 288.391 1.278 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CCC(=C)CC3)[C@H]2C1 ZINC001083183405 925116737 /nfs/dbraw/zinc/11/67/37/925116737.db2.gz CUMZPTGYQNIUOI-JKSUJKDBSA-N 1 2 288.391 1.278 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001084361092 925238359 /nfs/dbraw/zinc/23/83/59/925238359.db2.gz YDUUFFHRTAXHOU-GMTAPVOTSA-N 1 2 294.292 1.996 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001084361092 925238365 /nfs/dbraw/zinc/23/83/65/925238365.db2.gz YDUUFFHRTAXHOU-GMTAPVOTSA-N 1 2 294.292 1.996 20 30 CDEDLO N#C[C@@H]1CCCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001142219574 936992033 /nfs/dbraw/zinc/99/20/33/936992033.db2.gz WFLCEABNZSKQOS-LBPRGKRZSA-N 1 2 289.404 1.868 20 30 CDEDLO N#C[C@@H]1CCCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001142219574 936992034 /nfs/dbraw/zinc/99/20/34/936992034.db2.gz WFLCEABNZSKQOS-LBPRGKRZSA-N 1 2 289.404 1.868 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc(OC(F)F)n2)CC1 ZINC001199302401 925674662 /nfs/dbraw/zinc/67/46/62/925674662.db2.gz PWJRWDYIOPNDLN-UHFFFAOYSA-N 1 2 297.305 1.627 20 30 CDEDLO Cc1ncc(C[N@H+]2CC[C@@H]2CN(C)C(=O)[C@@H](C)C#N)o1 ZINC001231293538 925694942 /nfs/dbraw/zinc/69/49/42/925694942.db2.gz OFNRKKAUGZLIHG-CMPLNLGQSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1ncc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)[C@@H](C)C#N)o1 ZINC001231293538 925694946 /nfs/dbraw/zinc/69/49/46/925694946.db2.gz OFNRKKAUGZLIHG-CMPLNLGQSA-N 1 2 276.340 1.175 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cncn2CC2CCC2)CC1 ZINC001199606739 925772413 /nfs/dbraw/zinc/77/24/13/925772413.db2.gz CPGFXQHAVZKTNS-UHFFFAOYSA-N 1 2 288.395 1.627 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccs1 ZINC001085468591 926022869 /nfs/dbraw/zinc/02/28/69/926022869.db2.gz WALSAFSHDDFASB-GFCCVEGCSA-N 1 2 262.378 1.918 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccs1 ZINC001085468591 926022878 /nfs/dbraw/zinc/02/28/78/926022878.db2.gz WALSAFSHDDFASB-GFCCVEGCSA-N 1 2 262.378 1.918 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(F)nc1 ZINC001085518443 926108057 /nfs/dbraw/zinc/10/80/57/926108057.db2.gz RORGXCGCHLDFND-LBPRGKRZSA-N 1 2 261.300 1.000 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(F)nc1 ZINC001085518443 926108063 /nfs/dbraw/zinc/10/80/63/926108063.db2.gz RORGXCGCHLDFND-LBPRGKRZSA-N 1 2 261.300 1.000 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1oc(C)nc1C ZINC001085530064 926119349 /nfs/dbraw/zinc/11/93/49/926119349.db2.gz OWSNPBXFEPSDFD-CYBMUJFWSA-N 1 2 275.352 1.461 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1oc(C)nc1C ZINC001085530064 926119358 /nfs/dbraw/zinc/11/93/58/926119358.db2.gz OWSNPBXFEPSDFD-CYBMUJFWSA-N 1 2 275.352 1.461 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(C2CC2)o1 ZINC001085646685 926244883 /nfs/dbraw/zinc/24/48/83/926244883.db2.gz MJRXSAHAWWFWPR-CYBMUJFWSA-N 1 2 287.363 1.722 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(C2CC2)o1 ZINC001085646685 926244894 /nfs/dbraw/zinc/24/48/94/926244894.db2.gz MJRXSAHAWWFWPR-CYBMUJFWSA-N 1 2 287.363 1.722 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2cccn2cn1 ZINC001085669256 926259557 /nfs/dbraw/zinc/25/95/57/926259557.db2.gz VWZDPRLEFCYUHV-HNNXBMFYSA-N 1 2 296.374 1.504 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2cccn2cn1 ZINC001085669256 926259564 /nfs/dbraw/zinc/25/95/64/926259564.db2.gz VWZDPRLEFCYUHV-HNNXBMFYSA-N 1 2 296.374 1.504 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc2c1O[C@H](C)C2 ZINC001085730488 926328603 /nfs/dbraw/zinc/32/86/03/926328603.db2.gz ZMMZYXBHYVFXOO-HIFRSBDPSA-N 1 2 298.386 1.790 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc2c1O[C@H](C)C2 ZINC001085730488 926328610 /nfs/dbraw/zinc/32/86/10/926328610.db2.gz ZMMZYXBHYVFXOO-HIFRSBDPSA-N 1 2 298.386 1.790 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2[C@H](C)C(=O)OCC ZINC001273908774 926411997 /nfs/dbraw/zinc/41/19/97/926411997.db2.gz XOQNTEOIFRIHEG-CZUORRHYSA-N 1 2 292.379 1.028 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2[C@H](C)C(=O)OCC ZINC001273908774 926412003 /nfs/dbraw/zinc/41/20/03/926412003.db2.gz XOQNTEOIFRIHEG-CZUORRHYSA-N 1 2 292.379 1.028 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccncc1Cl ZINC001085838272 926435417 /nfs/dbraw/zinc/43/54/17/926435417.db2.gz DVVYHCMLAGLELX-GFCCVEGCSA-N 1 2 291.782 1.905 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccncc1Cl ZINC001085838272 926435421 /nfs/dbraw/zinc/43/54/21/926435421.db2.gz DVVYHCMLAGLELX-GFCCVEGCSA-N 1 2 291.782 1.905 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1scnc1COC ZINC001085862752 926461307 /nfs/dbraw/zinc/46/13/07/926461307.db2.gz HXLPDKOUBBEJEH-LLVKDONJSA-N 1 2 295.408 1.622 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1scnc1COC ZINC001085862752 926461310 /nfs/dbraw/zinc/46/13/10/926461310.db2.gz HXLPDKOUBBEJEH-LLVKDONJSA-N 1 2 295.408 1.622 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn(C(F)F)c1 ZINC001085894567 926484690 /nfs/dbraw/zinc/48/46/90/926484690.db2.gz FWKKDUFUIDDKMM-NSHDSACASA-N 1 2 282.294 1.058 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(C(F)F)c1 ZINC001085894567 926484698 /nfs/dbraw/zinc/48/46/98/926484698.db2.gz FWKKDUFUIDDKMM-NSHDSACASA-N 1 2 282.294 1.058 20 30 CDEDLO Cc1cc(C#N)c(NC[C@H]2C[N@H+](C)CCO2)nc1C ZINC001155197008 926639906 /nfs/dbraw/zinc/63/99/06/926639906.db2.gz RQJYATLJFCHLLM-ZDUSSCGKSA-N 1 2 260.341 1.313 20 30 CDEDLO Cc1cc(C#N)c(NC[C@H]2C[N@@H+](C)CCO2)nc1C ZINC001155197008 926639912 /nfs/dbraw/zinc/63/99/12/926639912.db2.gz RQJYATLJFCHLLM-ZDUSSCGKSA-N 1 2 260.341 1.313 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)COC)C1 ZINC001108312791 927385827 /nfs/dbraw/zinc/38/58/27/927385827.db2.gz QHPHECNAUQSTBR-DZGCQCFKSA-N 1 2 284.400 1.052 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)COC)C1 ZINC001108312791 927385839 /nfs/dbraw/zinc/38/58/39/927385839.db2.gz QHPHECNAUQSTBR-DZGCQCFKSA-N 1 2 284.400 1.052 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Nc2cc(Cl)ccc2CC#N)C[NH2+]1 ZINC001169136701 927753064 /nfs/dbraw/zinc/75/30/64/927753064.db2.gz PLTRBNSIGSUNQJ-YPMHNXCESA-N 1 2 293.754 1.721 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)N1CCC[C@@H](CC#N)C1 ZINC000852342027 927773237 /nfs/dbraw/zinc/77/32/37/927773237.db2.gz CULKYRQXGMLPPG-NSHDSACASA-N 1 2 261.329 1.255 20 30 CDEDLO N#Cc1cc([N+](=O)[O-])cnc1NCc1cc[nH+]c(N)c1 ZINC001156756664 928959360 /nfs/dbraw/zinc/95/93/60/928959360.db2.gz CDKGACGSLYRNKQ-UHFFFAOYSA-N 1 2 270.252 1.451 20 30 CDEDLO C=C[C@](C)(O)C[N@@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001252556395 929212572 /nfs/dbraw/zinc/21/25/72/929212572.db2.gz BYXCYUBTATUMLX-QEYWKRMJSA-N 1 2 251.248 1.327 20 30 CDEDLO C=C[C@](C)(O)C[N@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001252556395 929212584 /nfs/dbraw/zinc/21/25/84/929212584.db2.gz BYXCYUBTATUMLX-QEYWKRMJSA-N 1 2 251.248 1.327 20 30 CDEDLO N#Cc1ccccc1OCC(=O)OCc1cc[nH+]c(N)c1 ZINC000787569406 929387584 /nfs/dbraw/zinc/38/75/84/929387584.db2.gz BEFXQUVLIMNHML-UHFFFAOYSA-N 1 2 283.287 1.658 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CC2(C(F)(F)F)CC2)CC1 ZINC001112961807 929603807 /nfs/dbraw/zinc/60/38/07/929603807.db2.gz PGLYVRIFGUEZEN-UHFFFAOYSA-N 1 2 288.313 1.887 20 30 CDEDLO C=CCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1cn(C)nn1 ZINC001152313873 937352556 /nfs/dbraw/zinc/35/25/56/937352556.db2.gz XPMCQILKLQDCKC-GFCCVEGCSA-N 1 2 279.388 1.108 20 30 CDEDLO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cn(C)nn1 ZINC001152313873 937352557 /nfs/dbraw/zinc/35/25/57/937352557.db2.gz XPMCQILKLQDCKC-GFCCVEGCSA-N 1 2 279.388 1.108 20 30 CDEDLO C=C(C)C[C@H](CO)NC(=O)CCCn1cc[nH+]c1 ZINC000882894174 930096004 /nfs/dbraw/zinc/09/60/04/930096004.db2.gz KEOAFOWRYJJUFQ-GFCCVEGCSA-N 1 2 251.330 1.107 20 30 CDEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1nonc1C)CC2 ZINC001273990812 930486780 /nfs/dbraw/zinc/48/67/80/930486780.db2.gz SOISTKWESSWXST-GFCCVEGCSA-N 1 2 290.367 1.282 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000884312295 930520201 /nfs/dbraw/zinc/52/02/01/930520201.db2.gz ARURXSWGEDNGQC-XDQVBPFNSA-N 1 2 294.395 1.470 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccccc2C)C1 ZINC000885511765 930731490 /nfs/dbraw/zinc/73/14/90/930731490.db2.gz MFFFPKKCTMTNFL-AWEZNQCLSA-N 1 2 292.404 1.371 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccccc2C)C1 ZINC000885511765 930731494 /nfs/dbraw/zinc/73/14/94/930731494.db2.gz MFFFPKKCTMTNFL-AWEZNQCLSA-N 1 2 292.404 1.371 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@H]1CCc2cccc(Cl)c2C1 ZINC001170920502 930750118 /nfs/dbraw/zinc/75/01/18/930750118.db2.gz SAKOHRGMIWHFRD-QWHCGFSZSA-N 1 2 275.783 1.995 20 30 CDEDLO C#CCN(CC1CC1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC001116366186 937444049 /nfs/dbraw/zinc/44/40/49/937444049.db2.gz KTSJVUSWVBNOME-HNNXBMFYSA-N 1 2 298.390 1.715 20 30 CDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886015155 930789001 /nfs/dbraw/zinc/78/90/01/930789001.db2.gz WQKBHJCCIUSQQY-VWQQLOEOSA-N 1 2 284.425 1.273 20 30 CDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886015155 930789010 /nfs/dbraw/zinc/78/90/10/930789010.db2.gz WQKBHJCCIUSQQY-VWQQLOEOSA-N 1 2 284.425 1.273 20 30 CDEDLO O=C1CCC(=O)N1Cc1ccc(NCCCS)[nH+]c1 ZINC001159869863 931007258 /nfs/dbraw/zinc/00/72/58/931007258.db2.gz UNOSQCLECATEIL-UHFFFAOYSA-N 1 2 279.365 1.462 20 30 CDEDLO C=CCC1(C(=O)NCC[NH2+]Cc2cnon2)CCCC1 ZINC001153814216 937473996 /nfs/dbraw/zinc/47/39/96/937473996.db2.gz WCPNNKSXEOTJER-UHFFFAOYSA-N 1 2 278.356 1.412 20 30 CDEDLO N#CCC[NH+]1CCC2(C[C@@H]2C(=O)NCC(F)(F)F)CC1 ZINC001274031035 931131291 /nfs/dbraw/zinc/13/12/91/931131291.db2.gz FTXNDPYUJVLTBQ-SNVBAGLBSA-N 1 2 289.301 1.681 20 30 CDEDLO N#CCC[NH+]1CCC2(C[C@@H]2C(=O)NCC(F)F)CC1 ZINC001274032840 931132503 /nfs/dbraw/zinc/13/25/03/931132503.db2.gz WZLQTTYKRJSMBD-SNVBAGLBSA-N 1 2 271.311 1.383 20 30 CDEDLO COc1cc(N2CCN(C(=O)CCS)CC2)cc[nH+]1 ZINC001143986673 931609172 /nfs/dbraw/zinc/60/91/72/931609172.db2.gz WCWAAXDZCYFVHL-UHFFFAOYSA-N 1 2 281.381 1.059 20 30 CDEDLO COC(=O)c1c[nH]c2nc[nH+]c(NC(=O)CCS)c12 ZINC001143978017 931614795 /nfs/dbraw/zinc/61/47/95/931614795.db2.gz MAJFQFGJLGGRMW-UHFFFAOYSA-N 1 2 280.309 1.003 20 30 CDEDLO N#Cc1cncc(C[N@H+]2CCCC[C@H]2C(=O)N2CCCC2)c1 ZINC001144080267 931650621 /nfs/dbraw/zinc/65/06/21/931650621.db2.gz ZCINZBHVQSVZMP-INIZCTEOSA-N 1 2 298.390 1.930 20 30 CDEDLO N#Cc1cncc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)c1 ZINC001144080267 931650627 /nfs/dbraw/zinc/65/06/27/931650627.db2.gz ZCINZBHVQSVZMP-INIZCTEOSA-N 1 2 298.390 1.930 20 30 CDEDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cc(F)cc(C#N)c1 ZINC001275396257 931769537 /nfs/dbraw/zinc/76/95/37/931769537.db2.gz KYQGKICGHHFHKE-BETUJISGSA-N 1 2 259.284 1.226 20 30 CDEDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cc(F)cc(C#N)c1 ZINC001275396257 931769540 /nfs/dbraw/zinc/76/95/40/931769540.db2.gz KYQGKICGHHFHKE-BETUJISGSA-N 1 2 259.284 1.226 20 30 CDEDLO N#Cc1cnc(NC(=O)c2cccc3[nH+]ccn32)cn1 ZINC001154517656 937551456 /nfs/dbraw/zinc/55/14/56/937551456.db2.gz LRQCJRSYJMLADP-UHFFFAOYSA-N 1 2 264.248 1.248 20 30 CDEDLO C[C@H](C[C@@H](C)NC(=O)CCCn1cc[nH+]c1)NCC#N ZINC001146706177 932285214 /nfs/dbraw/zinc/28/52/14/932285214.db2.gz AIXZMDLUAYVPOA-CHWSQXEVSA-N 1 2 277.372 1.060 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21 ZINC001114671914 934904077 /nfs/dbraw/zinc/90/40/77/934904077.db2.gz LQXNHMBSZXMXFY-IMRBUKKESA-N 1 2 286.379 1.235 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21 ZINC001114671914 934904081 /nfs/dbraw/zinc/90/40/81/934904081.db2.gz LQXNHMBSZXMXFY-IMRBUKKESA-N 1 2 286.379 1.235 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)n1 ZINC001017364007 934962215 /nfs/dbraw/zinc/96/22/15/934962215.db2.gz VBHQOIGFEIVFHE-GASCZTMLSA-N 1 2 283.375 1.702 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)n1 ZINC001017364007 934962218 /nfs/dbraw/zinc/96/22/18/934962218.db2.gz VBHQOIGFEIVFHE-GASCZTMLSA-N 1 2 283.375 1.702 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001008437831 935402765 /nfs/dbraw/zinc/40/27/65/935402765.db2.gz QBOARHNAIPQLAX-CYBMUJFWSA-N 1 2 293.411 1.012 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001008437831 935402767 /nfs/dbraw/zinc/40/27/67/935402767.db2.gz QBOARHNAIPQLAX-CYBMUJFWSA-N 1 2 293.411 1.012 20 30 CDEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncs1 ZINC001017391925 935637136 /nfs/dbraw/zinc/63/71/36/935637136.db2.gz GDJNQIUTHHIPNL-TXEJJXNPSA-N 1 2 275.377 1.455 20 30 CDEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncs1 ZINC001017391925 935637139 /nfs/dbraw/zinc/63/71/39/935637139.db2.gz GDJNQIUTHHIPNL-TXEJJXNPSA-N 1 2 275.377 1.455 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2cccnc2n1 ZINC001038273261 935739816 /nfs/dbraw/zinc/73/98/16/935739816.db2.gz CHHULPRUGFUVHX-AWEZNQCLSA-N 1 2 294.358 1.457 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2cccnc2n1 ZINC001038273261 935739819 /nfs/dbraw/zinc/73/98/19/935739819.db2.gz CHHULPRUGFUVHX-AWEZNQCLSA-N 1 2 294.358 1.457 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cscc1Cl ZINC001038380450 935742127 /nfs/dbraw/zinc/74/21/27/935742127.db2.gz NWEOJAZMTYTVPB-VIFPVBQESA-N 1 2 268.769 1.839 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cscc1Cl ZINC001038380450 935742125 /nfs/dbraw/zinc/74/21/25/935742125.db2.gz NWEOJAZMTYTVPB-VIFPVBQESA-N 1 2 268.769 1.839 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1sccc1-n1cccc1 ZINC001038567760 935749010 /nfs/dbraw/zinc/74/90/10/935749010.db2.gz PMMRJUGTWXFVKA-CYBMUJFWSA-N 1 2 299.399 1.976 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1sccc1-n1cccc1 ZINC001038567760 935749012 /nfs/dbraw/zinc/74/90/12/935749012.db2.gz PMMRJUGTWXFVKA-CYBMUJFWSA-N 1 2 299.399 1.976 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C=C)cc1 ZINC001038734318 935754430 /nfs/dbraw/zinc/75/44/30/935754430.db2.gz KOORGXZLYIEZPQ-OAHLLOKOSA-N 1 2 254.333 1.767 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C=C)cc1 ZINC001038734318 935754431 /nfs/dbraw/zinc/75/44/31/935754431.db2.gz KOORGXZLYIEZPQ-OAHLLOKOSA-N 1 2 254.333 1.767 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2ccncc2C)C1 ZINC001042725799 935828317 /nfs/dbraw/zinc/82/83/17/935828317.db2.gz DWAZRUOLHSFFGV-UHFFFAOYSA-N 1 2 273.380 1.651 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001044103371 935850597 /nfs/dbraw/zinc/85/05/97/935850597.db2.gz UCAQLGBKTNIHEU-UHFFFAOYSA-N 1 2 296.374 1.651 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096353337 936049567 /nfs/dbraw/zinc/04/95/67/936049567.db2.gz VSCKJQANMSOMLK-GFCCVEGCSA-N 1 2 260.341 1.446 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(F)C(F)(F)F ZINC001049480190 936150475 /nfs/dbraw/zinc/15/04/75/936150475.db2.gz DWUFIEKBAFBPRE-MXWKQRLJSA-N 1 2 292.276 1.585 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(F)C(F)(F)F ZINC001049480190 936150479 /nfs/dbraw/zinc/15/04/79/936150479.db2.gz DWUFIEKBAFBPRE-MXWKQRLJSA-N 1 2 292.276 1.585 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1nccc2c3c([nH]c21)CCC3 ZINC001156332754 938353026 /nfs/dbraw/zinc/35/30/26/938353026.db2.gz OZGGTUUGRHMQCK-JTQLQIEISA-N 1 2 267.336 1.353 20 30 CDEDLO C=C(C)C(=O)NCCCNc1[nH+]cc(OC)cc1C ZINC001156820391 938421759 /nfs/dbraw/zinc/42/17/59/938421759.db2.gz FTDBSHYKYSTLNX-UHFFFAOYSA-N 1 2 263.341 1.893 20 30 CDEDLO C=C(C)C(=O)NCCCNc1[nH+]cccc1OCC ZINC001156826137 938422862 /nfs/dbraw/zinc/42/28/62/938422862.db2.gz MGFPHFXULKJFAB-UHFFFAOYSA-N 1 2 263.341 1.975 20 30 CDEDLO CCN(C(=O)c1[nH]nc2cc(C#N)ccc21)C1C[NH+](C)C1 ZINC001156884878 938428175 /nfs/dbraw/zinc/42/81/75/938428175.db2.gz VSPFHCWIPAIZFW-UHFFFAOYSA-N 1 2 283.335 1.211 20 30 CDEDLO CCN(C(=O)c1n[nH]c2cc(C#N)ccc21)C1C[NH+](C)C1 ZINC001156884878 938428176 /nfs/dbraw/zinc/42/81/76/938428176.db2.gz VSPFHCWIPAIZFW-UHFFFAOYSA-N 1 2 283.335 1.211 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cncn2C)C1 ZINC001204389385 938798458 /nfs/dbraw/zinc/79/84/58/938798458.db2.gz URICQVSYWUIAEN-GFCCVEGCSA-N 1 2 278.356 1.297 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cncn2C)C1 ZINC001204389385 938798460 /nfs/dbraw/zinc/79/84/60/938798460.db2.gz URICQVSYWUIAEN-GFCCVEGCSA-N 1 2 278.356 1.297 20 30 CDEDLO COC(=O)c1ccc(CNc2cc(CC#N)cc[nH+]2)nc1 ZINC001160988098 938854081 /nfs/dbraw/zinc/85/40/81/938854081.db2.gz GXYKFSCSSCTXNJ-UHFFFAOYSA-N 1 2 282.303 1.941 20 30 CDEDLO N#Cc1cnc(NC2CN(c3cccc[nH+]3)C2)c(F)c1 ZINC001161322986 938888672 /nfs/dbraw/zinc/88/86/72/938888672.db2.gz YXABENPJQKBIEB-UHFFFAOYSA-N 1 2 269.283 1.788 20 30 CDEDLO CCOC(=O)[C@H]([NH3+])CNc1cc(C#N)c2ccccc2n1 ZINC001161950582 938947415 /nfs/dbraw/zinc/94/74/15/938947415.db2.gz WPNNIERSSOAXAJ-GFCCVEGCSA-N 1 2 284.319 1.409 20 30 CDEDLO CCc1cc(C[N@@H+]2CCOC[C@H]2COC)ccc1C#N ZINC001238768665 945243803 /nfs/dbraw/zinc/24/38/03/945243803.db2.gz MLVQMMRCVLEFGV-MRXNPFEDSA-N 1 2 274.364 1.968 20 30 CDEDLO CCc1cc(C[N@H+]2CCOC[C@H]2COC)ccc1C#N ZINC001238768665 945243812 /nfs/dbraw/zinc/24/38/12/945243812.db2.gz MLVQMMRCVLEFGV-MRXNPFEDSA-N 1 2 274.364 1.968 20 30 CDEDLO N#Cc1c[nH]c2cc[nH+]c(N3C[C@H](CO)C[C@H](F)C3)c12 ZINC001164041597 939394347 /nfs/dbraw/zinc/39/43/47/939394347.db2.gz BTCGIVIIYIBTKM-KOLCDFICSA-N 1 2 274.299 1.591 20 30 CDEDLO CC#CCCCC(=O)NCCC[NH2+][C@@H](C)c1noc(C)n1 ZINC001164245300 939440734 /nfs/dbraw/zinc/44/07/34/939440734.db2.gz ZXJQCQOHUBICDK-LBPRGKRZSA-N 1 2 292.383 1.729 20 30 CDEDLO CC#CC[NH2+]CC1(CCNC(=O)C(F)C(F)(F)F)CC1 ZINC001164592558 939497240 /nfs/dbraw/zinc/49/72/40/939497240.db2.gz IYKXLLSFDXPGKK-JTQLQIEISA-N 1 2 294.292 1.786 20 30 CDEDLO CC#CC[NH2+]CC1(CCNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001164592558 939497241 /nfs/dbraw/zinc/49/72/41/939497241.db2.gz IYKXLLSFDXPGKK-JTQLQIEISA-N 1 2 294.292 1.786 20 30 CDEDLO C#CCC[NH2+]CC1(CCNC(=O)C(F)C(F)(F)F)CC1 ZINC001164597151 939497539 /nfs/dbraw/zinc/49/75/39/939497539.db2.gz XFUKEIRIUNYZBC-JTQLQIEISA-N 1 2 294.292 1.786 20 30 CDEDLO C#CCC[NH2+]CC1(CCNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001164597151 939497540 /nfs/dbraw/zinc/49/75/40/939497540.db2.gz XFUKEIRIUNYZBC-JTQLQIEISA-N 1 2 294.292 1.786 20 30 CDEDLO N#Cc1cc2nc(N3CC[NH+](CCF)CC3)ccc2[nH]1 ZINC001165103970 939510785 /nfs/dbraw/zinc/51/07/85/939510785.db2.gz YHHNQUTUWUXPCY-UHFFFAOYSA-N 1 2 273.315 1.526 20 30 CDEDLO C#Cc1cc(Nc2cnn(C3CCOCC3)c2)cc[nH+]1 ZINC001203842810 939707113 /nfs/dbraw/zinc/70/71/13/939707113.db2.gz GFPOHMJNMBFFIR-UHFFFAOYSA-N 1 2 268.320 1.776 20 30 CDEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1nccn1C)C2 ZINC001205132589 939826257 /nfs/dbraw/zinc/82/62/57/939826257.db2.gz MLLPOFFGAACWEP-GDBMZVCRSA-N 1 2 291.395 1.746 20 30 CDEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1nccn1C)C2 ZINC001205132589 939826258 /nfs/dbraw/zinc/82/62/58/939826258.db2.gz MLLPOFFGAACWEP-GDBMZVCRSA-N 1 2 291.395 1.746 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cnoc2)C1 ZINC001205762590 939933612 /nfs/dbraw/zinc/93/36/12/939933612.db2.gz PBEXIRXXRSTUFR-LBPRGKRZSA-N 1 2 265.313 1.551 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cnoc2)C1 ZINC001205762590 939933613 /nfs/dbraw/zinc/93/36/13/939933613.db2.gz PBEXIRXXRSTUFR-LBPRGKRZSA-N 1 2 265.313 1.551 20 30 CDEDLO CN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(C#N)cc1O ZINC001276494086 940095222 /nfs/dbraw/zinc/09/52/22/940095222.db2.gz PBDTXDLXRNMHDA-KBPBESRZSA-N 1 2 257.337 1.542 20 30 CDEDLO C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(C#N)cc1O ZINC001276494086 940095223 /nfs/dbraw/zinc/09/52/23/940095223.db2.gz PBDTXDLXRNMHDA-KBPBESRZSA-N 1 2 257.337 1.542 20 30 CDEDLO C[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(C#N)cc1O ZINC001276494086 940095227 /nfs/dbraw/zinc/09/52/27/940095227.db2.gz PBDTXDLXRNMHDA-KBPBESRZSA-N 1 2 257.337 1.542 20 30 CDEDLO N#C[C@H]1CN(Cc2[nH+]cc3ccccn32)CCC1=O ZINC001207052833 940137574 /nfs/dbraw/zinc/13/75/74/940137574.db2.gz FOWLCXSHHLVANL-NSHDSACASA-N 1 2 254.293 1.249 20 30 CDEDLO C=CCCC(=O)N1CCC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001207636233 940224323 /nfs/dbraw/zinc/22/43/23/940224323.db2.gz SAIUWLSDXVOHHD-LLVKDONJSA-N 1 2 280.397 1.585 20 30 CDEDLO CC(C)C#CC(=O)N1CCC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001207995473 940275612 /nfs/dbraw/zinc/27/56/12/940275612.db2.gz IVSISDXYGLGDIL-LBPRGKRZSA-N 1 2 292.408 1.278 20 30 CDEDLO N#Cc1ccc(CCC[N@H+]2C[C@@H](F)C[C@H]2C(N)=O)cc1 ZINC001208859394 940397416 /nfs/dbraw/zinc/39/74/16/940397416.db2.gz YZCKIFNFYZECGL-KBPBESRZSA-N 1 2 275.327 1.389 20 30 CDEDLO N#Cc1ccc(CCC[N@@H+]2C[C@@H](F)C[C@H]2C(N)=O)cc1 ZINC001208859394 940397420 /nfs/dbraw/zinc/39/74/20/940397420.db2.gz YZCKIFNFYZECGL-KBPBESRZSA-N 1 2 275.327 1.389 20 30 CDEDLO CC(C)(C)OC(=O)N1CC[C@@H]1C[N@@H+]1CC[C@@H](C#N)C1 ZINC001208998146 940420618 /nfs/dbraw/zinc/42/06/18/940420618.db2.gz ITFINVXDUDERAH-NWDGAFQWSA-N 1 2 265.357 1.841 20 30 CDEDLO CC(C)(C)OC(=O)N1CC[C@@H]1C[N@H+]1CC[C@@H](C#N)C1 ZINC001208998146 940420620 /nfs/dbraw/zinc/42/06/20/940420620.db2.gz ITFINVXDUDERAH-NWDGAFQWSA-N 1 2 265.357 1.841 20 30 CDEDLO Cn1cnc(Nc2ccccc2C[NH+]2CCOCC2)c1C#N ZINC001209927702 940652099 /nfs/dbraw/zinc/65/20/99/940652099.db2.gz ZLQYDXIMBNBYQD-UHFFFAOYSA-N 1 2 297.362 1.868 20 30 CDEDLO CC(C)(CO)n1cc([NH+]=C(NO)c2ccccc2N)cn1 ZINC001213411372 940774013 /nfs/dbraw/zinc/77/40/13/940774013.db2.gz YKWZNNOYBQMLIC-UHFFFAOYSA-N 1 2 289.339 1.250 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)CCCC)[C@H]2C1 ZINC001217770540 941019294 /nfs/dbraw/zinc/01/92/94/941019294.db2.gz MHTWJGLKRPUGMX-QLFBSQMISA-N 1 2 278.396 1.358 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)CCCC)[C@H]2C1 ZINC001217770540 941019297 /nfs/dbraw/zinc/01/92/97/941019297.db2.gz MHTWJGLKRPUGMX-QLFBSQMISA-N 1 2 278.396 1.358 20 30 CDEDLO C=CCOc1ccccc1[C@@H](C)NC(=O)C1(F)C[NH2+]C1 ZINC001220663596 941462701 /nfs/dbraw/zinc/46/27/01/941462701.db2.gz IWVONFLRODRZGS-LLVKDONJSA-N 1 2 278.327 1.740 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001221423741 941534814 /nfs/dbraw/zinc/53/48/14/941534814.db2.gz PUTJGVNBSORFGS-MGPQQGTHSA-N 1 2 284.375 1.470 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001221423741 941534817 /nfs/dbraw/zinc/53/48/17/941534817.db2.gz PUTJGVNBSORFGS-MGPQQGTHSA-N 1 2 284.375 1.470 20 30 CDEDLO CCc1nc(C)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001226413446 942000077 /nfs/dbraw/zinc/00/00/77/942000077.db2.gz UJSDHWSWXUOGQU-UCHAVSLVSA-N 1 2 274.364 1.944 20 30 CDEDLO CCc1nc(C)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001226413446 942000079 /nfs/dbraw/zinc/00/00/79/942000079.db2.gz UJSDHWSWXUOGQU-UCHAVSLVSA-N 1 2 274.364 1.944 20 30 CDEDLO Cc1cnc(C[NH+]2CCC(NC(=O)C#CC(C)C)CC2)o1 ZINC001227232971 942154516 /nfs/dbraw/zinc/15/45/16/942154516.db2.gz NKJKPKAUPUZCLR-UHFFFAOYSA-N 1 2 289.379 1.723 20 30 CDEDLO CC(=O)Oc1cccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001227565900 942189253 /nfs/dbraw/zinc/18/92/53/942189253.db2.gz CBRXJRYFEVZRPZ-JGPUMOJJSA-N 1 2 289.331 1.603 20 30 CDEDLO CC(=O)Oc1cccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001227565900 942189256 /nfs/dbraw/zinc/18/92/56/942189256.db2.gz CBRXJRYFEVZRPZ-JGPUMOJJSA-N 1 2 289.331 1.603 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2cc(F)c(C#N)cc2[N+](=O)[O-])C1 ZINC001227879713 942240623 /nfs/dbraw/zinc/24/06/23/942240623.db2.gz UHDPXZSYSKXIQD-SNVBAGLBSA-N 1 2 295.270 1.315 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2cc(F)c(C#N)cc2[N+](=O)[O-])C1 ZINC001227879713 942240625 /nfs/dbraw/zinc/24/06/25/942240625.db2.gz UHDPXZSYSKXIQD-SNVBAGLBSA-N 1 2 295.270 1.315 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001316601513 942420004 /nfs/dbraw/zinc/42/00/04/942420004.db2.gz CSKXVKPULJZLBA-NVXWUHKLSA-N 1 2 292.423 1.771 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001316601513 942420005 /nfs/dbraw/zinc/42/00/05/942420005.db2.gz CSKXVKPULJZLBA-NVXWUHKLSA-N 1 2 292.423 1.771 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001316601517 942420100 /nfs/dbraw/zinc/42/01/00/942420100.db2.gz CSKXVKPULJZLBA-WBVHZDCISA-N 1 2 292.423 1.771 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001316601517 942420102 /nfs/dbraw/zinc/42/01/02/942420102.db2.gz CSKXVKPULJZLBA-WBVHZDCISA-N 1 2 292.423 1.771 20 30 CDEDLO Cc1cccc(C#N)c1O[C@@H](C)C[NH+]1CCOCC1 ZINC001229179164 942428560 /nfs/dbraw/zinc/42/85/60/942428560.db2.gz FIRCBWCJJGFSSP-ZDUSSCGKSA-N 1 2 260.337 1.966 20 30 CDEDLO C=CCOc1ccccc1OC[C@H]1C[N@H+](C)CCO1 ZINC001229611935 942499377 /nfs/dbraw/zinc/49/93/77/942499377.db2.gz OLXYFNGPXGHMFL-CYBMUJFWSA-N 1 2 263.337 1.961 20 30 CDEDLO C=CCOc1ccccc1OC[C@H]1C[N@@H+](C)CCO1 ZINC001229611935 942499382 /nfs/dbraw/zinc/49/93/82/942499382.db2.gz OLXYFNGPXGHMFL-CYBMUJFWSA-N 1 2 263.337 1.961 20 30 CDEDLO CCCCCCCNC(=S)N1C[C@@H]2C[N@@H+](C)C[C@H](C1)O2 ZINC001277428348 942548311 /nfs/dbraw/zinc/54/83/11/942548311.db2.gz UHNALMFQCYQXFI-OKILXGFUSA-N 1 2 299.484 1.846 20 30 CDEDLO CCCCCCCNC(=S)N1C[C@@H]2C[N@H+](C)C[C@H](C1)O2 ZINC001277428348 942548315 /nfs/dbraw/zinc/54/83/15/942548315.db2.gz UHNALMFQCYQXFI-OKILXGFUSA-N 1 2 299.484 1.846 20 30 CDEDLO COc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c(F)c1 ZINC001229993858 942563354 /nfs/dbraw/zinc/56/33/54/942563354.db2.gz JBWNFTQJSJSXKY-HJTUNCCVSA-N 1 2 279.311 1.826 20 30 CDEDLO COc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c(F)c1 ZINC001229993858 942563360 /nfs/dbraw/zinc/56/33/60/942563360.db2.gz JBWNFTQJSJSXKY-HJTUNCCVSA-N 1 2 279.311 1.826 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C=C(C)C ZINC001230681334 942673433 /nfs/dbraw/zinc/67/34/33/942673433.db2.gz DTUYSPULHMLGIX-KBPBESRZSA-N 1 2 293.411 1.176 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C=C(C)C ZINC001230681334 942673439 /nfs/dbraw/zinc/67/34/39/942673439.db2.gz DTUYSPULHMLGIX-KBPBESRZSA-N 1 2 293.411 1.176 20 30 CDEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)CC ZINC001230969596 942745335 /nfs/dbraw/zinc/74/53/35/942745335.db2.gz OPEWIEJAJPFSKH-UHFFFAOYSA-N 1 2 263.179 1.743 20 30 CDEDLO C=C(Br)C[N@H+](C)CCCNC(=O)CC ZINC001230969596 942745340 /nfs/dbraw/zinc/74/53/40/942745340.db2.gz OPEWIEJAJPFSKH-UHFFFAOYSA-N 1 2 263.179 1.743 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cnc(C)cn1 ZINC001231179396 942809756 /nfs/dbraw/zinc/80/97/56/942809756.db2.gz SJJRBXKDHCCPOX-OAHLLOKOSA-N 1 2 288.395 1.784 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cnc(C)cn1 ZINC001231179396 942809761 /nfs/dbraw/zinc/80/97/61/942809761.db2.gz SJJRBXKDHCCPOX-OAHLLOKOSA-N 1 2 288.395 1.784 20 30 CDEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CCCNC3=O)CC2)c1 ZINC001232679096 943359180 /nfs/dbraw/zinc/35/91/80/943359180.db2.gz BZXITOVUTLWYID-UHFFFAOYSA-N 1 2 299.374 1.756 20 30 CDEDLO C#C[C@H]1CCC[N@@H+](Cc2[nH]cnc2C(=O)OCC)C1 ZINC001232920382 943433436 /nfs/dbraw/zinc/43/34/36/943433436.db2.gz SFUAXYWKWJHLAN-NSHDSACASA-N 1 2 261.325 1.432 20 30 CDEDLO C#C[C@H]1CCC[N@H+](Cc2[nH]cnc2C(=O)OCC)C1 ZINC001232920382 943433439 /nfs/dbraw/zinc/43/34/39/943433439.db2.gz SFUAXYWKWJHLAN-NSHDSACASA-N 1 2 261.325 1.432 20 30 CDEDLO N#Cc1cccc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)n1 ZINC001232925335 943436622 /nfs/dbraw/zinc/43/66/22/943436622.db2.gz BRIZAMPBODITAK-NSHDSACASA-N 1 2 260.316 1.181 20 30 CDEDLO N#Cc1cccc(CN2CC([N@H+]3CC[C@H](F)C3)C2)n1 ZINC001232925335 943436625 /nfs/dbraw/zinc/43/66/25/943436625.db2.gz BRIZAMPBODITAK-NSHDSACASA-N 1 2 260.316 1.181 20 30 CDEDLO Cc1cc(CNC(=O)c2ccc(C#N)cn2)cc(C)[nH+]1 ZINC001525866506 971000406 /nfs/dbraw/zinc/00/04/06/971000406.db2.gz WDGZBLCJBLBHCY-UHFFFAOYSA-N 1 2 266.304 1.895 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC(=O)NC3(CCCC3)C2)c(O)c1 ZINC001233388225 943573123 /nfs/dbraw/zinc/57/31/23/943573123.db2.gz QSLAEWUWKYXETG-UHFFFAOYSA-N 1 2 285.347 1.508 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC(=O)NC3(CCCC3)C2)c(O)c1 ZINC001233388225 943573125 /nfs/dbraw/zinc/57/31/25/943573125.db2.gz QSLAEWUWKYXETG-UHFFFAOYSA-N 1 2 285.347 1.508 20 30 CDEDLO COc1cc(/C=N/O)ccc1OC[C@H]1C[N@H+](C)CCO1 ZINC001233801539 943662480 /nfs/dbraw/zinc/66/24/80/943662480.db2.gz BBITVALOSLBWDS-AZZDOICSSA-N 1 2 280.324 1.213 20 30 CDEDLO COc1cc(/C=N/O)ccc1OC[C@H]1C[N@@H+](C)CCO1 ZINC001233801539 943662482 /nfs/dbraw/zinc/66/24/82/943662482.db2.gz BBITVALOSLBWDS-AZZDOICSSA-N 1 2 280.324 1.213 20 30 CDEDLO CC(C)c1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)nn1 ZINC001233885419 943682063 /nfs/dbraw/zinc/68/20/63/943682063.db2.gz GTAVEDBGWBWQOW-HJTUNCCVSA-N 1 2 275.352 1.591 20 30 CDEDLO CC(C)c1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)nn1 ZINC001233885419 943682065 /nfs/dbraw/zinc/68/20/65/943682065.db2.gz GTAVEDBGWBWQOW-HJTUNCCVSA-N 1 2 275.352 1.591 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2ccc3cc(C#N)[nH]c3c2)C1 ZINC001233994227 943709468 /nfs/dbraw/zinc/70/94/68/943709468.db2.gz NNDIQHZSEIDKLH-AWEZNQCLSA-N 1 2 271.320 1.749 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2ccc3cc(C#N)[nH]c3c2)C1 ZINC001233994227 943709470 /nfs/dbraw/zinc/70/94/70/943709470.db2.gz NNDIQHZSEIDKLH-AWEZNQCLSA-N 1 2 271.320 1.749 20 30 CDEDLO COc1cc(CN2CCO[C@@H](C#N)C2)ccc1-n1cc[nH+]c1 ZINC001234076168 943733990 /nfs/dbraw/zinc/73/39/90/943733990.db2.gz RPBSUNDOZMRHJW-AWEZNQCLSA-N 1 2 298.346 1.605 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc4cc(C#N)ccc4o3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234461371 943847455 /nfs/dbraw/zinc/84/74/55/943847455.db2.gz YCNUQHBBFDLQDQ-HJTUNCCVSA-N 1 2 297.314 1.691 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc4cc(C#N)ccc4o3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234461371 943847462 /nfs/dbraw/zinc/84/74/62/943847462.db2.gz YCNUQHBBFDLQDQ-HJTUNCCVSA-N 1 2 297.314 1.691 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001263837869 943996998 /nfs/dbraw/zinc/99/69/98/943996998.db2.gz SLHVCPIRMUQZCT-NEPJUHHUSA-N 1 2 263.341 1.203 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1nn(CC)nc1C ZINC001235451646 944160407 /nfs/dbraw/zinc/16/04/07/944160407.db2.gz NIGBXGFWXZLTJB-UHFFFAOYSA-N 1 2 293.415 1.511 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1nn(CC)nc1C ZINC001235451646 944160409 /nfs/dbraw/zinc/16/04/09/944160409.db2.gz NIGBXGFWXZLTJB-UHFFFAOYSA-N 1 2 293.415 1.511 20 30 CDEDLO CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC001237469669 944800750 /nfs/dbraw/zinc/80/07/50/944800750.db2.gz DGWRAEFTULWZJJ-OAHLLOKOSA-N 1 2 286.379 1.834 20 30 CDEDLO CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccnc(C#N)c1 ZINC001237469669 944800755 /nfs/dbraw/zinc/80/07/55/944800755.db2.gz DGWRAEFTULWZJJ-OAHLLOKOSA-N 1 2 286.379 1.834 20 30 CDEDLO C[C@H](O)c1ncc(C[N@@H+]2CC[C@@](O)(CC#N)C2)s1 ZINC001261494270 946142044 /nfs/dbraw/zinc/14/20/44/946142044.db2.gz KPUUZJTYJIMZEK-CABZTGNLSA-N 1 2 267.354 1.047 20 30 CDEDLO C[C@H](O)c1ncc(C[N@H+]2CC[C@@](O)(CC#N)C2)s1 ZINC001261494270 946142048 /nfs/dbraw/zinc/14/20/48/946142048.db2.gz KPUUZJTYJIMZEK-CABZTGNLSA-N 1 2 267.354 1.047 20 30 CDEDLO C=C(Br)C[N@H+]1CCC2(CN(C(C)=O)C2)C1 ZINC001479758007 971398410 /nfs/dbraw/zinc/39/84/10/971398410.db2.gz ZQRHFLVIGLIMCK-UHFFFAOYSA-N 1 2 273.174 1.449 20 30 CDEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(C)=O)C2)C1 ZINC001479758007 971398418 /nfs/dbraw/zinc/39/84/18/971398418.db2.gz ZQRHFLVIGLIMCK-UHFFFAOYSA-N 1 2 273.174 1.449 20 30 CDEDLO C=C/C(=[NH+]\COC)c1cncc(N2CCOCC2)c1 ZINC001245270959 947621505 /nfs/dbraw/zinc/62/15/05/947621505.db2.gz YQJDSTKVMDGSHI-JQIJEIRASA-N 1 2 261.325 1.497 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@H](OCC(=O)N(C)CC)C1 ZINC001255177816 947768505 /nfs/dbraw/zinc/76/85/05/947768505.db2.gz XCEJFKCOOOCEAH-KBPBESRZSA-N 1 2 281.400 1.638 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@H](OCC(=O)N(C)CC)C1 ZINC001255177816 947768509 /nfs/dbraw/zinc/76/85/09/947768509.db2.gz XCEJFKCOOOCEAH-KBPBESRZSA-N 1 2 281.400 1.638 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)COC)[C@@H]1C ZINC001278495841 948873676 /nfs/dbraw/zinc/87/36/76/948873676.db2.gz WGNCQGODIHZRCL-QWRGUYRKSA-N 1 2 260.765 1.354 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)COC)[C@@H]1C ZINC001278495841 948873695 /nfs/dbraw/zinc/87/36/95/948873695.db2.gz WGNCQGODIHZRCL-QWRGUYRKSA-N 1 2 260.765 1.354 20 30 CDEDLO C[N@@H+]1CCO[C@H](c2nc(-c3cc(F)cc(C#N)c3)no2)C1 ZINC001248226955 948978881 /nfs/dbraw/zinc/97/88/81/948978881.db2.gz IQXYURJTTYAOFZ-LBPRGKRZSA-N 1 2 288.282 1.750 20 30 CDEDLO C[N@H+]1CCO[C@H](c2nc(-c3cc(F)cc(C#N)c3)no2)C1 ZINC001248226955 948978889 /nfs/dbraw/zinc/97/88/89/948978889.db2.gz IQXYURJTTYAOFZ-LBPRGKRZSA-N 1 2 288.282 1.750 20 30 CDEDLO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001248751527 949121950 /nfs/dbraw/zinc/12/19/50/949121950.db2.gz YYKDEDIRZKMOPJ-HNNXBMFYSA-N 1 2 292.404 1.740 20 30 CDEDLO CCc1cc(C#N)ccc1C[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001248751527 949121972 /nfs/dbraw/zinc/12/19/72/949121972.db2.gz YYKDEDIRZKMOPJ-HNNXBMFYSA-N 1 2 292.404 1.740 20 30 CDEDLO CCc1cc(C#N)ccc1C[NH+]1CCN(C#N)CC1 ZINC001248753066 949128274 /nfs/dbraw/zinc/12/82/74/949128274.db2.gz ONCNTLNPLDHOHP-UHFFFAOYSA-N 1 2 254.337 1.719 20 30 CDEDLO C#CCOC[C@@H](O)CNc1ccc[nH+]c1N1CCCCC1 ZINC001251824694 950849847 /nfs/dbraw/zinc/84/98/47/950849847.db2.gz OQLQICXVWWGCHQ-AWEZNQCLSA-N 1 2 289.379 1.495 20 30 CDEDLO C#CCOC[C@H](O)CNc1ccc(N2CCCC2)[nH+]c1 ZINC001251832820 950861780 /nfs/dbraw/zinc/86/17/80/950861780.db2.gz SAFMNNWHEPQEOU-CQSZACIVSA-N 1 2 275.352 1.104 20 30 CDEDLO C=CCOC[C@H](O)C[N@H+]1CCc2cnc(SC)nc2C1 ZINC001252473922 951328101 /nfs/dbraw/zinc/32/81/01/951328101.db2.gz SIUIBTUVSNOMRX-GFCCVEGCSA-N 1 2 295.408 1.120 20 30 CDEDLO C=CCOC[C@H](O)C[N@@H+]1CCc2cnc(SC)nc2C1 ZINC001252473922 951328112 /nfs/dbraw/zinc/32/81/12/951328112.db2.gz SIUIBTUVSNOMRX-GFCCVEGCSA-N 1 2 295.408 1.120 20 30 CDEDLO C=CCC[C@@H](O)C[NH2+]C1(c2ccccc2OC)COC1 ZINC001252621494 951513898 /nfs/dbraw/zinc/51/38/98/951513898.db2.gz DGMKKQLKADCWRQ-CYBMUJFWSA-N 1 2 277.364 1.837 20 30 CDEDLO C[N@H+](CCNC(=O)C(C)(F)F)Cc1cc(C#N)ccc1F ZINC001480836764 971902719 /nfs/dbraw/zinc/90/27/19/971902719.db2.gz YZLIRLLZPZFWLG-UHFFFAOYSA-N 1 2 299.296 1.901 20 30 CDEDLO C[N@@H+](CCNC(=O)C(C)(F)F)Cc1cc(C#N)ccc1F ZINC001480836764 971902721 /nfs/dbraw/zinc/90/27/21/971902721.db2.gz YZLIRLLZPZFWLG-UHFFFAOYSA-N 1 2 299.296 1.901 20 30 CDEDLO COc1ncc(NC(=O)[C@H](C)n2cc[nH+]c2)cc1C#N ZINC001363560640 953456062 /nfs/dbraw/zinc/45/60/62/953456062.db2.gz WHVOUAMMLZUPGA-VIFPVBQESA-N 1 2 271.280 1.358 20 30 CDEDLO CCC[N@@H+](CC(=O)OCC)C[C@H](O)c1cccc(C#N)c1 ZINC001363202580 971971308 /nfs/dbraw/zinc/97/13/08/971971308.db2.gz XAHSSIXMNNFGTP-HNNXBMFYSA-N 1 2 290.363 1.867 20 30 CDEDLO CCC[N@H+](CC(=O)OCC)C[C@H](O)c1cccc(C#N)c1 ZINC001363202580 971971351 /nfs/dbraw/zinc/97/13/51/971971351.db2.gz XAHSSIXMNNFGTP-HNNXBMFYSA-N 1 2 290.363 1.867 20 30 CDEDLO C#CC[N@@H+](CCS(=O)(=O)Cc1ccccc1)CC1CC1 ZINC001326787187 954549976 /nfs/dbraw/zinc/54/99/76/954549976.db2.gz LIDCLIANCSSOPO-UHFFFAOYSA-N 1 2 291.416 1.947 20 30 CDEDLO C#CC[N@H+](CCS(=O)(=O)Cc1ccccc1)CC1CC1 ZINC001326787187 954549990 /nfs/dbraw/zinc/54/99/90/954549990.db2.gz LIDCLIANCSSOPO-UHFFFAOYSA-N 1 2 291.416 1.947 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccnc(C#N)c1 ZINC001364409171 954576112 /nfs/dbraw/zinc/57/61/12/954576112.db2.gz MGYLHDIQNSNYSU-SNVBAGLBSA-N 1 2 270.296 1.360 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2ccc[nH]c2=O)nn1 ZINC001328699286 955421903 /nfs/dbraw/zinc/42/19/03/955421903.db2.gz DYVGYZFOVPAIIX-UHFFFAOYSA-N 1 2 259.313 1.245 20 30 CDEDLO CC(C)(CC#N)CS(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001365382942 955981839 /nfs/dbraw/zinc/98/18/39/955981839.db2.gz XEUJOFGNUAXYJK-LLVKDONJSA-N 1 2 296.396 1.057 20 30 CDEDLO Cc1cc(NC(=O)NCc2ccc[nH+]c2N)nn1CCC#N ZINC001365496805 956090198 /nfs/dbraw/zinc/09/01/98/956090198.db2.gz LWMDIJFJTZIUGA-UHFFFAOYSA-N 1 2 299.338 1.404 20 30 CDEDLO C=CCn1cnnc1SCC[N@H+]1CCOC[C@@H]1C ZINC001307274092 956386159 /nfs/dbraw/zinc/38/61/59/956386159.db2.gz SWYREXZCZQULRJ-NSHDSACASA-N 1 2 268.386 1.277 20 30 CDEDLO C=CCn1cnnc1SCC[N@@H+]1CCOC[C@@H]1C ZINC001307274092 956386172 /nfs/dbraw/zinc/38/61/72/956386172.db2.gz SWYREXZCZQULRJ-NSHDSACASA-N 1 2 268.386 1.277 20 30 CDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001307798629 956440083 /nfs/dbraw/zinc/44/00/83/956440083.db2.gz IWWNZFNVIXZXAO-ITGUQSILSA-N 1 2 273.292 1.137 20 30 CDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001307798629 956440090 /nfs/dbraw/zinc/44/00/90/956440090.db2.gz IWWNZFNVIXZXAO-ITGUQSILSA-N 1 2 273.292 1.137 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cncnc1C1CC1 ZINC001366586514 956997373 /nfs/dbraw/zinc/99/73/73/956997373.db2.gz LJSLCMBOKOFECY-UHFFFAOYSA-N 1 2 294.786 1.768 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cncnc1C1CC1 ZINC001366586514 956997380 /nfs/dbraw/zinc/99/73/80/956997380.db2.gz LJSLCMBOKOFECY-UHFFFAOYSA-N 1 2 294.786 1.768 20 30 CDEDLO C=CCn1nnnc1N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC001332488174 957587900 /nfs/dbraw/zinc/58/79/00/957587900.db2.gz FJKFHCSUNSVTPS-VXGBXAGGSA-N 1 2 273.344 1.143 20 30 CDEDLO N#C[C@@]1(C(=O)N2CCn3c[nH+]cc3C2)CC12CCCC2 ZINC001434047861 960929060 /nfs/dbraw/zinc/92/90/60/960929060.db2.gz XDYOBBMIBJIJSM-OAHLLOKOSA-N 1 2 270.336 1.699 20 30 CDEDLO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccn(C)n1 ZINC001434473748 961476793 /nfs/dbraw/zinc/47/67/93/961476793.db2.gz XWLNYOMIDOXNAJ-SECBINFHSA-N 1 2 289.364 1.643 20 30 CDEDLO C=CCN(CC=C)c1nnc(Cc2[nH+]ccn2C)n1C ZINC001338716997 961962514 /nfs/dbraw/zinc/96/25/14/961962514.db2.gz JSSCRCXHPOISNW-UHFFFAOYSA-N 1 2 272.356 1.318 20 30 CDEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)C[C@@H](C)C#N ZINC001339212421 962249191 /nfs/dbraw/zinc/24/91/91/962249191.db2.gz VHDIFGOHKNJLCN-LBPRGKRZSA-N 1 2 299.382 1.384 20 30 CDEDLO Cc1nc(C(=O)OCCCn2cc[nH+]c2)ccc1C#N ZINC001339309155 962297096 /nfs/dbraw/zinc/29/70/96/962297096.db2.gz WJMMNRCQGFTEOQ-UHFFFAOYSA-N 1 2 270.292 1.705 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccc(C)[nH]c1=O ZINC001420021104 962378336 /nfs/dbraw/zinc/37/83/36/962378336.db2.gz RXAHPTOTFXWIIN-UHFFFAOYSA-N 1 2 297.786 1.852 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccc(C)[nH]c1=O ZINC001420021104 962378355 /nfs/dbraw/zinc/37/83/55/962378355.db2.gz RXAHPTOTFXWIIN-UHFFFAOYSA-N 1 2 297.786 1.852 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)COC ZINC001420602271 963110086 /nfs/dbraw/zinc/11/00/86/963110086.db2.gz SPAPKWBQLAALBL-NSHDSACASA-N 1 2 276.808 1.848 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)COC ZINC001420602271 963110095 /nfs/dbraw/zinc/11/00/95/963110095.db2.gz SPAPKWBQLAALBL-NSHDSACASA-N 1 2 276.808 1.848 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)CCc2nnc[nH]2)C1 ZINC001421182913 963488768 /nfs/dbraw/zinc/48/87/68/963488768.db2.gz IWHYYRCILCFZCU-CYBMUJFWSA-N 1 2 297.790 1.070 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)CCc2nnc[nH]2)C1 ZINC001421182913 963488770 /nfs/dbraw/zinc/48/87/70/963488770.db2.gz IWHYYRCILCFZCU-CYBMUJFWSA-N 1 2 297.790 1.070 20 30 CDEDLO CC(C)(F)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001439498252 963773539 /nfs/dbraw/zinc/77/35/39/963773539.db2.gz HLVGDOWEKBONQL-AWEZNQCLSA-N 1 2 289.354 1.997 20 30 CDEDLO CC(C)(F)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001439498252 963773541 /nfs/dbraw/zinc/77/35/41/963773541.db2.gz HLVGDOWEKBONQL-AWEZNQCLSA-N 1 2 289.354 1.997 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3C[C@H]3C)n2CC(=C)C)CC1 ZINC001342762876 963821275 /nfs/dbraw/zinc/82/12/75/963821275.db2.gz ZUDPEOJBVQQXTB-HUUCEWRRSA-N 1 2 299.422 1.733 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1c(C)nn(C)c1C ZINC001349771310 966466746 /nfs/dbraw/zinc/46/67/46/966466746.db2.gz QSGAMGVNCKWGRS-NSHDSACASA-N 1 2 263.345 1.257 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)NCc1cc(C#N)ccc1F ZINC001548657099 967691977 /nfs/dbraw/zinc/69/19/77/967691977.db2.gz DPYBQCCBKDWRIY-UHFFFAOYSA-N 1 2 286.310 1.680 20 30 CDEDLO C=CCC(C)(C)C(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001100348212 968081197 /nfs/dbraw/zinc/08/11/97/968081197.db2.gz ADFGBXLIODMKJL-UHFFFAOYSA-N 1 2 276.384 1.940 20 30 CDEDLO C#CCOCCN(C)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC001354485420 968736735 /nfs/dbraw/zinc/73/67/35/968736735.db2.gz NEJXDRHTQBMGCK-UHFFFAOYSA-N 1 2 287.367 1.667 20 30 CDEDLO CCc1[nH]c(CNC(=O)c2ccc(C#N)cn2)c[nH+]1 ZINC001456140500 968871602 /nfs/dbraw/zinc/87/16/02/968871602.db2.gz DAODCWAETICYJN-UHFFFAOYSA-N 1 2 255.281 1.169 20 30 CDEDLO CCc1[nH]cc(CNC(=O)c2ccc(C#N)cn2)[nH+]1 ZINC001456140500 968871607 /nfs/dbraw/zinc/87/16/07/968871607.db2.gz DAODCWAETICYJN-UHFFFAOYSA-N 1 2 255.281 1.169 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC001460111400 969475911 /nfs/dbraw/zinc/47/59/11/969475911.db2.gz MWWOKAOZQVLBGS-LBPRGKRZSA-N 1 2 273.336 1.921 20 30 CDEDLO CC[C@H](C(=O)N(CC)CCC#N)[N@@H+]1CCO[C@H](CC)C1 ZINC001361968110 970724922 /nfs/dbraw/zinc/72/49/22/970724922.db2.gz VWXYTCLQEAFOEB-ZIAGYGMSSA-N 1 2 281.400 1.638 20 30 CDEDLO CC[C@H](C(=O)N(CC)CCC#N)[N@H+]1CCO[C@H](CC)C1 ZINC001361968110 970724926 /nfs/dbraw/zinc/72/49/26/970724926.db2.gz VWXYTCLQEAFOEB-ZIAGYGMSSA-N 1 2 281.400 1.638 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccnc(N(C)C)c1 ZINC001418505377 973909874 /nfs/dbraw/zinc/90/98/74/973909874.db2.gz QZJIMMXHHVNXFH-UHFFFAOYSA-N 1 2 296.802 1.562 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccnc(N(C)C)c1 ZINC001418505377 973909883 /nfs/dbraw/zinc/90/98/83/973909883.db2.gz QZJIMMXHHVNXFH-UHFFFAOYSA-N 1 2 296.802 1.562 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccn(C)c(=O)c1 ZINC001375061871 974247353 /nfs/dbraw/zinc/24/73/53/974247353.db2.gz FQTJGTGIPOIIRF-NSHDSACASA-N 1 2 297.786 1.188 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccn(C)c(=O)c1 ZINC001375061871 974247357 /nfs/dbraw/zinc/24/73/57/974247357.db2.gz FQTJGTGIPOIIRF-NSHDSACASA-N 1 2 297.786 1.188 20 30 CDEDLO CO[C@H](C)C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001377127938 974895133 /nfs/dbraw/zinc/89/51/33/974895133.db2.gz CMNBKMNEOBDIPQ-LLVKDONJSA-N 1 2 293.342 1.280 20 30 CDEDLO CO[C@H](C)C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001377127938 974895134 /nfs/dbraw/zinc/89/51/34/974895134.db2.gz CMNBKMNEOBDIPQ-LLVKDONJSA-N 1 2 293.342 1.280 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc(CC)n[nH]1 ZINC001377287463 974958882 /nfs/dbraw/zinc/95/88/82/974958882.db2.gz OXYQCJYGAJWSGI-UHFFFAOYSA-N 1 2 284.791 1.776 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc(CC)n[nH]1 ZINC001377287463 974958887 /nfs/dbraw/zinc/95/88/87/974958887.db2.gz OXYQCJYGAJWSGI-UHFFFAOYSA-N 1 2 284.791 1.776 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc(OC)no1 ZINC001377298535 974965682 /nfs/dbraw/zinc/96/56/82/974965682.db2.gz FJBGUMIJRNWOJN-UHFFFAOYSA-N 1 2 287.747 1.487 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc(OC)no1 ZINC001377298535 974965687 /nfs/dbraw/zinc/96/56/87/974965687.db2.gz FJBGUMIJRNWOJN-UHFFFAOYSA-N 1 2 287.747 1.487 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@]1(C)CCOC1 ZINC001391007678 976639899 /nfs/dbraw/zinc/63/98/99/976639899.db2.gz XLXSOFDXXOGWPG-ZDUSSCGKSA-N 1 2 274.792 1.604 20 30 CDEDLO CCc1nocc1C[N@H+](CCNC(=O)[C@H](C)C#N)C1CC1 ZINC001391152011 976730686 /nfs/dbraw/zinc/73/06/86/976730686.db2.gz AAZVXNSZJYAWNE-LLVKDONJSA-N 1 2 290.367 1.477 20 30 CDEDLO CCc1nocc1C[N@@H+](CCNC(=O)[C@H](C)C#N)C1CC1 ZINC001391152011 976730697 /nfs/dbraw/zinc/73/06/97/976730697.db2.gz AAZVXNSZJYAWNE-LLVKDONJSA-N 1 2 290.367 1.477 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1nnc(C)o1)C1CC1 ZINC001400009571 976805303 /nfs/dbraw/zinc/80/53/03/976805303.db2.gz TZKVPCUQHVFHNT-UHFFFAOYSA-N 1 2 298.774 1.254 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1nnc(C)o1)C1CC1 ZINC001400009571 976805313 /nfs/dbraw/zinc/80/53/13/976805313.db2.gz TZKVPCUQHVFHNT-UHFFFAOYSA-N 1 2 298.774 1.254 20 30 CDEDLO CC(C)(F)C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001391466799 976901796 /nfs/dbraw/zinc/90/17/96/976901796.db2.gz GEEJNLNYICVEQU-UHFFFAOYSA-N 1 2 289.354 1.854 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)Cc2cnccc2C)C1 ZINC001400506451 977065798 /nfs/dbraw/zinc/06/57/98/977065798.db2.gz TVSBOXNDDBPNJL-UHFFFAOYSA-N 1 2 293.798 1.733 20 30 CDEDLO CC[C@@H](F)C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001403644461 977121238 /nfs/dbraw/zinc/12/12/38/977121238.db2.gz UQJHNSKEMHLRTK-CQSZACIVSA-N 1 2 277.343 1.854 20 30 CDEDLO CC[C@@H](F)C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001403644461 977121246 /nfs/dbraw/zinc/12/12/46/977121246.db2.gz UQJHNSKEMHLRTK-CQSZACIVSA-N 1 2 277.343 1.854 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ncccc1OC ZINC001403758254 977178639 /nfs/dbraw/zinc/17/86/39/977178639.db2.gz KPFXJWYEYNXEMG-UHFFFAOYSA-N 1 2 283.759 1.504 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ncccc1OC ZINC001403758254 977178642 /nfs/dbraw/zinc/17/86/42/977178642.db2.gz KPFXJWYEYNXEMG-UHFFFAOYSA-N 1 2 283.759 1.504 20 30 CDEDLO N#Cc1cc(F)cc(NC(=O)N2CCn3c[nH+]cc3C2)c1 ZINC001414483228 977211032 /nfs/dbraw/zinc/21/10/32/977211032.db2.gz LMBKREGTSZDVJJ-UHFFFAOYSA-N 1 2 285.282 1.942 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001132568976 1163376973 /nfs/dbraw/zinc/37/69/73/1163376973.db2.gz ISOPFFCPFSZMLG-UWVGGRQHSA-N 1 2 266.345 1.042 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001132659757 1163427861 /nfs/dbraw/zinc/42/78/61/1163427861.db2.gz CLFOMPQOUCCEKQ-WDEREUQCSA-N 1 2 282.413 1.907 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001132662846 1163428849 /nfs/dbraw/zinc/42/88/49/1163428849.db2.gz KZQVJENKBXWCSA-PWSUYJOCSA-N 1 2 280.372 1.747 20 30 CDEDLO CC1(C)C[N@@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@@H]1[NH3+] ZINC001593940690 996952758 /nfs/dbraw/zinc/95/27/58/996952758.db2.gz PGBANRQXCZZIJU-STQMWFEESA-N 1 2 273.336 1.353 20 30 CDEDLO CC1(C)C[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@@H]1[NH3+] ZINC001593940690 996952769 /nfs/dbraw/zinc/95/27/69/996952769.db2.gz PGBANRQXCZZIJU-STQMWFEESA-N 1 2 273.336 1.353 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[NH2+]Cc1cnsn1 ZINC001133378765 1163662404 /nfs/dbraw/zinc/66/24/04/1163662404.db2.gz MOAOJSYSAFGONC-LBPRGKRZSA-N 1 2 268.386 1.346 20 30 CDEDLO C=CC(C)(C)CC(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001158886939 1163789714 /nfs/dbraw/zinc/78/97/14/1163789714.db2.gz KDCIGGQTJBRGPT-UHFFFAOYSA-N 1 2 294.399 1.830 20 30 CDEDLO N#Cc1c2c(sc1NC(=O)[C@@H]1COCC[NH2+]1)CCC2 ZINC000088371816 1173920513 /nfs/dbraw/zinc/92/05/13/1173920513.db2.gz QFHASTKCYDNBCG-JTQLQIEISA-N 1 2 277.349 1.035 20 30 CDEDLO C[C@H]1CCN(C(=O)c2cccc(C#N)n2)C[C@H]1n1cc[nH+]c1 ZINC000589450857 342505981 /nfs/dbraw/zinc/50/59/81/342505981.db2.gz QNBJJGPPWIWSRZ-SWLSCSKDSA-N 1 2 295.346 1.873 20 30 CDEDLO Cc1noc(C)c1[C@H](C)CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000589827820 342514833 /nfs/dbraw/zinc/51/48/33/342514833.db2.gz NWBXNDRDJJXDLY-BMIGLBTASA-N 1 2 292.383 1.745 20 30 CDEDLO CSc1ccccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000589827879 342514883 /nfs/dbraw/zinc/51/48/83/342514883.db2.gz VLEDRMHJDQMPLY-CQSZACIVSA-N 1 2 277.393 1.982 20 30 CDEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000351632941 361825121 /nfs/dbraw/zinc/82/51/21/361825121.db2.gz LHEXBQNMCFEGGH-STQMWFEESA-N 1 2 265.357 1.002 20 30 CDEDLO C=CCOCC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000591118685 342618765 /nfs/dbraw/zinc/61/87/65/342618765.db2.gz HHXNJCKLAKJNHZ-HNNXBMFYSA-N 1 2 285.347 1.828 20 30 CDEDLO COCC[N@@H+](CCC#N)CCOc1ccccc1C#N ZINC000071223963 342144752 /nfs/dbraw/zinc/14/47/52/342144752.db2.gz ALTWFRLQOOAMOI-UHFFFAOYSA-N 1 2 273.336 1.799 20 30 CDEDLO COCC[N@H+](CCC#N)CCOc1ccccc1C#N ZINC000071223963 342144753 /nfs/dbraw/zinc/14/47/53/342144753.db2.gz ALTWFRLQOOAMOI-UHFFFAOYSA-N 1 2 273.336 1.799 20 30 CDEDLO CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150504 342668536 /nfs/dbraw/zinc/66/85/36/342668536.db2.gz FLEQMOXDQXUHCL-YPMHNXCESA-N 1 2 254.330 1.069 20 30 CDEDLO CCC[C@H](C(=O)OCC)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150504 342668537 /nfs/dbraw/zinc/66/85/37/342668537.db2.gz FLEQMOXDQXUHCL-YPMHNXCESA-N 1 2 254.330 1.069 20 30 CDEDLO C[C@@H]1C[C@]1(C#N)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000448628592 361842834 /nfs/dbraw/zinc/84/28/34/361842834.db2.gz BMEOXWNRXFODDZ-MLGOLLRUSA-N 1 2 284.363 1.848 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)[C@H](C)CO1 ZINC000593061120 342761015 /nfs/dbraw/zinc/76/10/15/342761015.db2.gz IJNOUDFBQIMLJD-VXGBXAGGSA-N 1 2 265.357 1.048 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)[C@H](C)CO1 ZINC000593061120 342761017 /nfs/dbraw/zinc/76/10/17/342761017.db2.gz IJNOUDFBQIMLJD-VXGBXAGGSA-N 1 2 265.357 1.048 20 30 CDEDLO CC[C@H](C)[C@@H](OC)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593153033 342773788 /nfs/dbraw/zinc/77/37/88/342773788.db2.gz DYQMFJMLPGAPDH-LOWVWBTDSA-N 1 2 255.362 1.008 20 30 CDEDLO CC[C@H](C#N)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000593669198 342820410 /nfs/dbraw/zinc/82/04/10/342820410.db2.gz XERRBSBFDAPCGD-GFCCVEGCSA-N 1 2 267.373 1.105 20 30 CDEDLO CC[C@H](C#N)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000593669198 342820412 /nfs/dbraw/zinc/82/04/12/342820412.db2.gz XERRBSBFDAPCGD-GFCCVEGCSA-N 1 2 267.373 1.105 20 30 CDEDLO C=CCC1(NC(=O)C[N@@H+](C)CC(=O)NC(C)C)CCCC1 ZINC000619115122 349629794 /nfs/dbraw/zinc/62/97/94/349629794.db2.gz VZZYGVFMAVDHJI-UHFFFAOYSA-N 1 2 295.427 1.448 20 30 CDEDLO C=CCC1(NC(=O)C[N@H+](C)CC(=O)NC(C)C)CCCC1 ZINC000619115122 349629799 /nfs/dbraw/zinc/62/97/99/349629799.db2.gz VZZYGVFMAVDHJI-UHFFFAOYSA-N 1 2 295.427 1.448 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(OC)c(OC)c1 ZINC000594008990 342863016 /nfs/dbraw/zinc/86/30/16/342863016.db2.gz SUEPXUZEVLOABO-NSHDSACASA-N 1 2 291.351 1.924 20 30 CDEDLO CCC(CC)C[N@H+](CCC#N)CCS(=O)(=O)N(C)C ZINC000352025492 282161594 /nfs/dbraw/zinc/16/15/94/282161594.db2.gz LNYIXAOUGYGTMD-UHFFFAOYSA-N 1 2 289.445 1.530 20 30 CDEDLO CCC(CC)C[N@@H+](CCC#N)CCS(=O)(=O)N(C)C ZINC000352025492 282161598 /nfs/dbraw/zinc/16/15/98/282161598.db2.gz LNYIXAOUGYGTMD-UHFFFAOYSA-N 1 2 289.445 1.530 20 30 CDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCn2c[nH+]cc2C1 ZINC000594360369 342895880 /nfs/dbraw/zinc/89/58/80/342895880.db2.gz TWCNWWMDAUWGCI-CYBMUJFWSA-N 1 2 294.358 1.976 20 30 CDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCc1c[nH+]cn1C ZINC000594337811 342890743 /nfs/dbraw/zinc/89/07/43/342890743.db2.gz QDEBTDHTTSYZDM-CYBMUJFWSA-N 1 2 296.374 1.829 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000600617275 342238650 /nfs/dbraw/zinc/23/86/50/342238650.db2.gz GGWHOHSXMZQLBG-JTQLQIEISA-N 1 2 275.308 1.288 20 30 CDEDLO N#C[C@@H]1CC[C@@H](n2cc(C[NH+]3CCSCC3)nn2)C1 ZINC000600814181 342250387 /nfs/dbraw/zinc/25/03/87/342250387.db2.gz VXCOJGZGDNAZIW-DGCLKSJQSA-N 1 2 277.397 1.692 20 30 CDEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000595426442 343056915 /nfs/dbraw/zinc/05/69/15/343056915.db2.gz HYBCRYLUIITGLQ-INIZCTEOSA-N 1 2 299.353 1.931 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1)C1CC1 ZINC000595608946 343108532 /nfs/dbraw/zinc/10/85/32/343108532.db2.gz CSEWVRHJQFWDQJ-WFASDCNBSA-N 1 2 274.368 1.421 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1)C1CC1 ZINC000595608946 343108535 /nfs/dbraw/zinc/10/85/35/343108535.db2.gz CSEWVRHJQFWDQJ-WFASDCNBSA-N 1 2 274.368 1.421 20 30 CDEDLO C[C@@H]1C[N@H+](CCNc2nc(C#N)c(Cl)s2)CCO1 ZINC000596102798 343227616 /nfs/dbraw/zinc/22/76/16/343227616.db2.gz YRBKYALDAJHGEE-MRVPVSSYSA-N 1 2 286.788 1.223 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNc2nc(C#N)c(Cl)s2)CCO1 ZINC000596102798 343227618 /nfs/dbraw/zinc/22/76/18/343227618.db2.gz YRBKYALDAJHGEE-MRVPVSSYSA-N 1 2 286.788 1.223 20 30 CDEDLO Cc1nnc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c(C#N)c1C ZINC000596426920 343311897 /nfs/dbraw/zinc/31/18/97/343311897.db2.gz DBIXRKRPMWKJNC-WDEREUQCSA-N 1 2 289.383 1.486 20 30 CDEDLO Cc1nnc(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c(C#N)c1C ZINC000596426920 343311899 /nfs/dbraw/zinc/31/18/99/343311899.db2.gz DBIXRKRPMWKJNC-WDEREUQCSA-N 1 2 289.383 1.486 20 30 CDEDLO COC(=O)c1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)cn1C ZINC000597232370 343489042 /nfs/dbraw/zinc/48/90/42/343489042.db2.gz UAAHCRANZLTMAQ-AWEZNQCLSA-N 1 2 261.325 1.547 20 30 CDEDLO COC(=O)c1cc(C[N@H+]2CC[C@@](C)(C#N)C2)cn1C ZINC000597232370 343489044 /nfs/dbraw/zinc/48/90/44/343489044.db2.gz UAAHCRANZLTMAQ-AWEZNQCLSA-N 1 2 261.325 1.547 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3cccnn3)CC2)s1 ZINC000127990175 136387109 /nfs/dbraw/zinc/38/71/09/136387109.db2.gz FXYJSYPZUNCASY-UHFFFAOYSA-N 1 2 285.376 1.732 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000290480689 197723261 /nfs/dbraw/zinc/72/32/61/197723261.db2.gz NSRQXDZPBSWLNL-RISCZKNCSA-N 1 2 263.341 1.443 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)NC2(C)CCCC2)C1 ZINC000329104603 529787973 /nfs/dbraw/zinc/78/79/73/529787973.db2.gz GRMPKLUNBUETCE-LLVKDONJSA-N 1 2 255.362 1.153 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)NC2(C)CCCC2)C1 ZINC000329104603 529787974 /nfs/dbraw/zinc/78/79/74/529787974.db2.gz GRMPKLUNBUETCE-LLVKDONJSA-N 1 2 255.362 1.153 20 30 CDEDLO C=C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)C(=O)OC ZINC000619704246 349860613 /nfs/dbraw/zinc/86/06/13/349860613.db2.gz ZXTCYJVUHZEKCH-GMXVVIOVSA-N 1 2 271.382 1.358 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCOc1ccc(OC)cc1 ZINC000619716608 349866340 /nfs/dbraw/zinc/86/63/40/349866340.db2.gz QGVNKRHKIKUIAH-AWEZNQCLSA-N 1 2 279.336 1.733 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCOc1ccc(OC)cc1 ZINC000619716608 349866344 /nfs/dbraw/zinc/86/63/44/349866344.db2.gz QGVNKRHKIKUIAH-AWEZNQCLSA-N 1 2 279.336 1.733 20 30 CDEDLO CC(C)CN1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)CC1=O ZINC000598606192 343851934 /nfs/dbraw/zinc/85/19/34/343851934.db2.gz JSOQDZPMXZBBOE-ZDUSSCGKSA-N 1 2 281.400 1.087 20 30 CDEDLO CC(C)CN1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC1=O ZINC000598606192 343851935 /nfs/dbraw/zinc/85/19/35/343851935.db2.gz JSOQDZPMXZBBOE-ZDUSSCGKSA-N 1 2 281.400 1.087 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnc2n1CCCCC2 ZINC000598836180 343914451 /nfs/dbraw/zinc/91/44/51/343914451.db2.gz BZSSBKZPWGXHEW-HNNXBMFYSA-N 1 2 289.383 1.183 20 30 CDEDLO COC1CC[NH+](Cc2cn(-c3ccc(C#N)cc3)nn2)CC1 ZINC000600970425 349897405 /nfs/dbraw/zinc/89/74/05/349897405.db2.gz JQHWIFCXDAGMJW-UHFFFAOYSA-N 1 2 297.362 1.750 20 30 CDEDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000599160837 343970982 /nfs/dbraw/zinc/97/09/82/343970982.db2.gz QAIXLDZOUMZPQQ-NSHDSACASA-N 1 2 276.296 1.209 20 30 CDEDLO C[N@H+]1CCOC[C@@H]1CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000599160837 343970984 /nfs/dbraw/zinc/97/09/84/343970984.db2.gz QAIXLDZOUMZPQQ-NSHDSACASA-N 1 2 276.296 1.209 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000185138909 362306358 /nfs/dbraw/zinc/30/63/58/362306358.db2.gz CEOIHHHXSKPGSM-UWVGGRQHSA-N 1 2 280.372 1.708 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCc2[nH+]c[nH]c2C1 ZINC000599430534 344056709 /nfs/dbraw/zinc/05/67/09/344056709.db2.gz VPLNPEAUVLKIGU-NHYWBVRUSA-N 1 2 289.383 1.211 20 30 CDEDLO C[C@H](C#N)Cn1[nH]c2c(c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000601935245 344286120 /nfs/dbraw/zinc/28/61/20/344286120.db2.gz RKUQEQCDVLFLCR-HIFRSBDPSA-N 1 2 296.374 1.866 20 30 CDEDLO C[C@H](C#N)Cn1[nH]c2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000601935245 344286122 /nfs/dbraw/zinc/28/61/22/344286122.db2.gz RKUQEQCDVLFLCR-HIFRSBDPSA-N 1 2 296.374 1.866 20 30 CDEDLO Cc1cn2ccc(C(=O)N3CCN(CCC#N)CC3)cc2[nH+]1 ZINC000602197798 344372754 /nfs/dbraw/zinc/37/27/54/344372754.db2.gz AKOPHASZGBJALX-UHFFFAOYSA-N 1 2 297.362 1.314 20 30 CDEDLO CCC[C@@H](OCC)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000602331234 344401492 /nfs/dbraw/zinc/40/14/92/344401492.db2.gz BEYRAUUTXYYWBF-DGCLKSJQSA-N 1 2 255.362 1.152 20 30 CDEDLO Cc1cccn2cc(CCNC(=O)NCCCC#N)[nH+]c12 ZINC000612135100 347053653 /nfs/dbraw/zinc/05/36/53/347053653.db2.gz NSDOSTMHELEBFF-UHFFFAOYSA-N 1 2 285.351 1.788 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)NCC1CCCCC1 ZINC000602863733 344637777 /nfs/dbraw/zinc/63/77/77/344637777.db2.gz POIZVSDCUZIGJZ-NEPJUHHUSA-N 1 2 251.374 1.963 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000602867457 344639301 /nfs/dbraw/zinc/63/93/01/344639301.db2.gz CFEVHHAXABAXPV-MNOVXSKESA-N 1 2 280.372 1.425 20 30 CDEDLO CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N)c1 ZINC000602869045 344640168 /nfs/dbraw/zinc/64/01/68/344640168.db2.gz LWWXDWSOQFWCBP-GHMZBOCLSA-N 1 2 288.351 1.265 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCOc2ccccc2C#N)nn1 ZINC000603212076 344743881 /nfs/dbraw/zinc/74/38/81/344743881.db2.gz SVCNZIKVMRZZGD-UHFFFAOYSA-N 1 2 295.346 1.342 20 30 CDEDLO N#C[C@@]1(NC(=O)Cc2cn3ccccc3[nH+]2)CCSC1 ZINC000603885147 344842806 /nfs/dbraw/zinc/84/28/06/344842806.db2.gz ABGHUDVAJCRVJN-AWEZNQCLSA-N 1 2 286.360 1.392 20 30 CDEDLO C#CCCN1CC[NH+](Cc2ccc(C(=O)OC)cc2)CC1 ZINC000127276778 187293980 /nfs/dbraw/zinc/29/39/80/187293980.db2.gz YOBCKSVADYKYRO-UHFFFAOYSA-N 1 2 286.375 1.614 20 30 CDEDLO C[C@H](CNC(=O)Nc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000027349027 344967288 /nfs/dbraw/zinc/96/72/88/344967288.db2.gz GGJVRDFUNLYWHL-GFCCVEGCSA-N 1 2 288.351 1.400 20 30 CDEDLO C=CC[C@@H](C)NC(=O)NCCCCn1cc[nH+]c1 ZINC000604896999 344944767 /nfs/dbraw/zinc/94/47/67/344944767.db2.gz WNDVBUBBIJUVGT-GFCCVEGCSA-N 1 2 250.346 1.927 20 30 CDEDLO C=CCOCCNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635783917 362572282 /nfs/dbraw/zinc/57/22/82/362572282.db2.gz MXXMPRBADORFAU-UHFFFAOYSA-N 1 2 259.309 1.575 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000382630181 345230464 /nfs/dbraw/zinc/23/04/64/345230464.db2.gz KRALIIYHYFMIRG-HIFRSBDPSA-N 1 2 279.384 1.249 20 30 CDEDLO CC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000150990457 345231198 /nfs/dbraw/zinc/23/11/98/345231198.db2.gz IGMYYOCGDAJSJQ-UHFFFAOYSA-N 1 2 297.355 1.024 20 30 CDEDLO C=CCN(C(=O)CCn1cc[nH+]c1)[C@H](C)COC ZINC000617579161 345865230 /nfs/dbraw/zinc/86/52/30/345865230.db2.gz YYDOXNCKAMAJJA-GFCCVEGCSA-N 1 2 251.330 1.323 20 30 CDEDLO COCC[N@H+](CCC#N)C[C@H](O)COc1ccc(F)cc1 ZINC000610392009 346269700 /nfs/dbraw/zinc/26/97/00/346269700.db2.gz XKLAVLLBHGFMCG-AWEZNQCLSA-N 1 2 296.342 1.427 20 30 CDEDLO COCC[N@@H+](CCC#N)C[C@H](O)COc1ccc(F)cc1 ZINC000610392009 346269705 /nfs/dbraw/zinc/26/97/05/346269705.db2.gz XKLAVLLBHGFMCG-AWEZNQCLSA-N 1 2 296.342 1.427 20 30 CDEDLO CC1CC(C#N)(C(=O)N2CC(Oc3cc[nH+]cc3)C2)C1 ZINC000610712677 346373321 /nfs/dbraw/zinc/37/33/21/346373321.db2.gz PSXBITAQJYZBLK-UHFFFAOYSA-N 1 2 271.320 1.611 20 30 CDEDLO N#CC1(CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CC1 ZINC000584757131 346424294 /nfs/dbraw/zinc/42/42/94/346424294.db2.gz YODLEHZGGRECFM-LBPRGKRZSA-N 1 2 273.340 1.361 20 30 CDEDLO N#CCCN1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000611174226 346627945 /nfs/dbraw/zinc/62/79/45/346627945.db2.gz FXXXIPRYUAAXAX-UHFFFAOYSA-N 1 2 265.307 1.996 20 30 CDEDLO C=C[C@@](C)(O)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000613545207 347775792 /nfs/dbraw/zinc/77/57/92/347775792.db2.gz NARPTPVBMXFOOJ-SWLSCSKDSA-N 1 2 294.420 1.890 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)c1 ZINC000355160762 365955733 /nfs/dbraw/zinc/95/57/33/365955733.db2.gz IWSGGPKUQZRIIY-CJNGLKHVSA-N 1 2 277.364 1.833 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)c1 ZINC000355160762 365955735 /nfs/dbraw/zinc/95/57/35/365955735.db2.gz IWSGGPKUQZRIIY-CJNGLKHVSA-N 1 2 277.364 1.833 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(c2ccncc2)CC1 ZINC000619722541 348213553 /nfs/dbraw/zinc/21/35/53/348213553.db2.gz OIQHXILJXTVDGK-AWEZNQCLSA-N 1 2 260.337 1.989 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)c1ccc(Cl)c(C#N)c1 ZINC000555109562 290203944 /nfs/dbraw/zinc/20/39/44/290203944.db2.gz SNPJWRIWZCOQPT-UHFFFAOYSA-N 1 2 274.711 1.875 20 30 CDEDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CC1(C#N)CCC1 ZINC000450766135 362896834 /nfs/dbraw/zinc/89/68/34/362896834.db2.gz SJJBEIVRQLKPLZ-NSHDSACASA-N 1 2 251.374 1.915 20 30 CDEDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CC1(C#N)CCC1 ZINC000450766135 362896839 /nfs/dbraw/zinc/89/68/39/362896839.db2.gz SJJBEIVRQLKPLZ-NSHDSACASA-N 1 2 251.374 1.915 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1cc(Cl)ccc1C#N ZINC000414151362 362925301 /nfs/dbraw/zinc/92/53/01/362925301.db2.gz PVFYKRYTKPZJKK-ZDUSSCGKSA-N 1 2 293.754 1.797 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cc(Cl)ccc1C#N ZINC000414151362 362925309 /nfs/dbraw/zinc/92/53/09/362925309.db2.gz PVFYKRYTKPZJKK-ZDUSSCGKSA-N 1 2 293.754 1.797 20 30 CDEDLO CC(=O)c1cc(F)ccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414172022 362926467 /nfs/dbraw/zinc/92/64/67/362926467.db2.gz XZVBZRJOTAKUMQ-ZDUSSCGKSA-N 1 2 294.326 1.613 20 30 CDEDLO CC(=O)c1cc(F)ccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414172022 362926472 /nfs/dbraw/zinc/92/64/72/362926472.db2.gz XZVBZRJOTAKUMQ-ZDUSSCGKSA-N 1 2 294.326 1.613 20 30 CDEDLO CC(C)C[C@H](C#N)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000615745578 348654414 /nfs/dbraw/zinc/65/44/14/348654414.db2.gz MJKDXSVXQZPDGF-VXGBXAGGSA-N 1 2 260.341 1.500 20 30 CDEDLO N#CCc1ccnc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000615769340 348714978 /nfs/dbraw/zinc/71/49/78/348714978.db2.gz ZWMPXYYFPYQSJL-LBPRGKRZSA-N 1 2 281.319 1.545 20 30 CDEDLO N#Cc1nc(NCC[NH+]2CCOCC2)ccc1Cl ZINC000067346274 349021668 /nfs/dbraw/zinc/02/16/68/349021668.db2.gz KKVCMQLNWLTSON-UHFFFAOYSA-N 1 2 266.732 1.351 20 30 CDEDLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602620282 350133322 /nfs/dbraw/zinc/13/33/22/350133322.db2.gz AWESODMRBSVYLF-CQSZACIVSA-N 1 2 259.309 1.481 20 30 CDEDLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602620282 350133326 /nfs/dbraw/zinc/13/33/26/350133326.db2.gz AWESODMRBSVYLF-CQSZACIVSA-N 1 2 259.309 1.481 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2cccc(C#N)n2)C[C@@H](C)O1 ZINC000602627839 350133498 /nfs/dbraw/zinc/13/34/98/350133498.db2.gz UXPSUIUYJYNMGY-BXUZGUMPSA-N 1 2 261.325 1.189 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2cccc(C#N)n2)C[C@@H](C)O1 ZINC000602627839 350133502 /nfs/dbraw/zinc/13/35/02/350133502.db2.gz UXPSUIUYJYNMGY-BXUZGUMPSA-N 1 2 261.325 1.189 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNc2nc3c(cc2C#N)CCCC3)C1 ZINC000091670737 180224413 /nfs/dbraw/zinc/22/44/13/180224413.db2.gz LGMNEWJNYAYOLU-AWEZNQCLSA-N 1 2 286.379 1.575 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNc2nc3c(cc2C#N)CCCC3)C1 ZINC000091670737 180224415 /nfs/dbraw/zinc/22/44/15/180224415.db2.gz LGMNEWJNYAYOLU-AWEZNQCLSA-N 1 2 286.379 1.575 20 30 CDEDLO C=CCCC(C)(C)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000620861099 350347085 /nfs/dbraw/zinc/34/70/85/350347085.db2.gz ANWCVRALYAEFNC-UHFFFAOYSA-N 1 2 283.416 1.304 20 30 CDEDLO C=CCCC(C)(C)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000620861099 350347087 /nfs/dbraw/zinc/34/70/87/350347087.db2.gz ANWCVRALYAEFNC-UHFFFAOYSA-N 1 2 283.416 1.304 20 30 CDEDLO C[C@@H]1C(=O)NCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000106358953 186109634 /nfs/dbraw/zinc/10/96/34/186109634.db2.gz DPXBBQYVGZSGKC-GFCCVEGCSA-N 1 2 273.336 1.147 20 30 CDEDLO C[C@@H]1C(=O)NCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000106358953 186109636 /nfs/dbraw/zinc/10/96/36/186109636.db2.gz DPXBBQYVGZSGKC-GFCCVEGCSA-N 1 2 273.336 1.147 20 30 CDEDLO C[C@@H](CNC(=O)COc1ccccc1C#N)Cn1cc[nH+]c1 ZINC000153463256 188083417 /nfs/dbraw/zinc/08/34/17/188083417.db2.gz WSDVWHOTWLUGBW-ZDUSSCGKSA-N 1 2 298.346 1.586 20 30 CDEDLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292723632 198389729 /nfs/dbraw/zinc/38/97/29/198389729.db2.gz FPIJUURZQUCQPP-CQSZACIVSA-N 1 2 283.335 1.638 20 30 CDEDLO Cc1[nH]ncc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292723632 198389731 /nfs/dbraw/zinc/38/97/31/198389731.db2.gz FPIJUURZQUCQPP-CQSZACIVSA-N 1 2 283.335 1.638 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1sccc1C ZINC000569986223 363268274 /nfs/dbraw/zinc/26/82/74/363268274.db2.gz PNHMXSAPNVSGLP-NSHDSACASA-N 1 2 265.382 1.955 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)C1CC1 ZINC000274199975 192484431 /nfs/dbraw/zinc/48/44/31/192484431.db2.gz RIUKIBHPCQRQBC-UHFFFAOYSA-N 1 2 299.374 1.425 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)C1CC1 ZINC000274199975 192484434 /nfs/dbraw/zinc/48/44/34/192484434.db2.gz RIUKIBHPCQRQBC-UHFFFAOYSA-N 1 2 299.374 1.425 20 30 CDEDLO N#Cc1c(F)cccc1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000109829987 283075636 /nfs/dbraw/zinc/07/56/36/283075636.db2.gz DUGAEGDUFASUBZ-UHFFFAOYSA-N 1 2 285.326 1.743 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)ccc1F ZINC000370556751 283093489 /nfs/dbraw/zinc/09/34/89/283093489.db2.gz IHGNMYMWRBORLO-LBPRGKRZSA-N 1 2 275.283 1.334 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)ccc1F ZINC000370556751 283093491 /nfs/dbraw/zinc/09/34/91/283093491.db2.gz IHGNMYMWRBORLO-LBPRGKRZSA-N 1 2 275.283 1.334 20 30 CDEDLO C[N@H+](Cc1ccoc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000342630240 356093602 /nfs/dbraw/zinc/09/36/02/356093602.db2.gz IMWPKHYGENGFFD-AWEZNQCLSA-N 1 2 269.304 1.810 20 30 CDEDLO C[N@@H+](Cc1ccoc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000342630240 356093603 /nfs/dbraw/zinc/09/36/03/356093603.db2.gz IMWPKHYGENGFFD-AWEZNQCLSA-N 1 2 269.304 1.810 20 30 CDEDLO CC1(C)C[S@@](=O)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000336420792 356171100 /nfs/dbraw/zinc/17/11/00/356171100.db2.gz VWBKZBLUQOJBQS-SFHVURJKSA-N 1 2 262.378 1.901 20 30 CDEDLO CC1(C)C[S@@](=O)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000336420792 356171105 /nfs/dbraw/zinc/17/11/05/356171105.db2.gz VWBKZBLUQOJBQS-SFHVURJKSA-N 1 2 262.378 1.901 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2C[C@H](O)C[C@@H]2C)c(C#N)c1C ZINC000340912117 363466432 /nfs/dbraw/zinc/46/64/32/363466432.db2.gz PTBRMIFDOUFMPR-GZMMTYOYSA-N 1 2 277.324 1.162 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2C)c(C#N)c1C ZINC000340912117 363466443 /nfs/dbraw/zinc/46/64/43/363466443.db2.gz PTBRMIFDOUFMPR-GZMMTYOYSA-N 1 2 277.324 1.162 20 30 CDEDLO C=CCSCCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000299342124 357032899 /nfs/dbraw/zinc/03/28/99/357032899.db2.gz UEGQRWWGRLFZLB-NSHDSACASA-N 1 2 268.386 1.490 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000299256847 357001842 /nfs/dbraw/zinc/00/18/42/357001842.db2.gz BQRRTKOZWYEBHX-AWEZNQCLSA-N 1 2 292.379 1.905 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000299270444 357007952 /nfs/dbraw/zinc/00/79/52/357007952.db2.gz MCVJWAPULZQASY-ZDUSSCGKSA-N 1 2 270.332 1.591 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153092437 357256638 /nfs/dbraw/zinc/25/66/38/357256638.db2.gz GWZYOZBLGUBVDQ-LLVKDONJSA-N 1 2 287.319 1.091 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153092437 357256640 /nfs/dbraw/zinc/25/66/40/357256640.db2.gz GWZYOZBLGUBVDQ-LLVKDONJSA-N 1 2 287.319 1.091 20 30 CDEDLO C#CC[N@@H+](CCS(=O)(=O)N(C)C)Cc1ccc(F)cc1 ZINC000491807109 357588253 /nfs/dbraw/zinc/58/82/53/357588253.db2.gz BIFXTAFALNFWKA-UHFFFAOYSA-N 1 2 298.383 1.152 20 30 CDEDLO C#CC[N@H+](CCS(=O)(=O)N(C)C)Cc1ccc(F)cc1 ZINC000491807109 357588262 /nfs/dbraw/zinc/58/82/62/357588262.db2.gz BIFXTAFALNFWKA-UHFFFAOYSA-N 1 2 298.383 1.152 20 30 CDEDLO C[NH+]1CCN(C(=O)CSc2cccc(C#N)c2)CC1 ZINC000335762205 357985993 /nfs/dbraw/zinc/98/59/93/357985993.db2.gz FIFRHHFTMWBTMW-UHFFFAOYSA-N 1 2 275.377 1.424 20 30 CDEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000189550537 358025242 /nfs/dbraw/zinc/02/52/42/358025242.db2.gz URDXJTZAHJMYLO-UONOGXRCSA-N 1 2 274.320 1.057 20 30 CDEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000189550537 358025244 /nfs/dbraw/zinc/02/52/44/358025244.db2.gz URDXJTZAHJMYLO-UONOGXRCSA-N 1 2 274.320 1.057 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000294716525 199148982 /nfs/dbraw/zinc/14/89/82/199148982.db2.gz CEMMVIWXMXGPOR-LBPRGKRZSA-N 1 2 258.321 1.019 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000294716525 199148984 /nfs/dbraw/zinc/14/89/84/199148984.db2.gz CEMMVIWXMXGPOR-LBPRGKRZSA-N 1 2 258.321 1.019 20 30 CDEDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000294819782 199198300 /nfs/dbraw/zinc/19/83/00/199198300.db2.gz ORYQGLVJTKSHMN-LBPRGKRZSA-N 1 2 277.324 1.814 20 30 CDEDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000294819782 199198301 /nfs/dbraw/zinc/19/83/01/199198301.db2.gz ORYQGLVJTKSHMN-LBPRGKRZSA-N 1 2 277.324 1.814 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290972622 358795528 /nfs/dbraw/zinc/79/55/28/358795528.db2.gz UAMGUWCHTAWNIS-UHFFFAOYSA-N 1 2 256.265 1.312 20 30 CDEDLO CCN1CC[N@H+](Cc2ccc(CC#N)cc2)[C@@H](C)C1=O ZINC000495241077 366520251 /nfs/dbraw/zinc/52/02/51/366520251.db2.gz OJOCUCFYQVVNLM-ZDUSSCGKSA-N 1 2 271.364 1.805 20 30 CDEDLO CCN1CC[N@@H+](Cc2ccc(CC#N)cc2)[C@@H](C)C1=O ZINC000495241077 366520260 /nfs/dbraw/zinc/52/02/60/366520260.db2.gz OJOCUCFYQVVNLM-ZDUSSCGKSA-N 1 2 271.364 1.805 20 30 CDEDLO CCn1cc[nH+]c1[C@H](C)Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000450825326 359010210 /nfs/dbraw/zinc/01/02/10/359010210.db2.gz FECJKYNYRAHKMQ-VIFPVBQESA-N 1 2 286.295 1.673 20 30 CDEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000118392973 359056697 /nfs/dbraw/zinc/05/66/97/359056697.db2.gz GDGWQQZVZFYHSH-ZDUSSCGKSA-N 1 2 286.379 1.918 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCCC1=CCCCC1 ZINC000267675511 359353401 /nfs/dbraw/zinc/35/34/01/359353401.db2.gz PKFDPPJITACDAU-UHFFFAOYSA-N 1 2 258.365 1.562 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000270925021 359418527 /nfs/dbraw/zinc/41/85/27/359418527.db2.gz PMEABHCHQMDVCH-GFCCVEGCSA-N 1 2 292.358 1.033 20 30 CDEDLO CC(C)[N@H+](Cc1nnnn1C)Cc1ccc(C#N)cc1 ZINC000339718286 359427656 /nfs/dbraw/zinc/42/76/56/359427656.db2.gz PEKKSMFEQYBSIE-UHFFFAOYSA-N 1 2 270.340 1.492 20 30 CDEDLO CC(C)[N@@H+](Cc1nnnn1C)Cc1ccc(C#N)cc1 ZINC000339718286 359427662 /nfs/dbraw/zinc/42/76/62/359427662.db2.gz PEKKSMFEQYBSIE-UHFFFAOYSA-N 1 2 270.340 1.492 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000274240057 359495958 /nfs/dbraw/zinc/49/59/58/359495958.db2.gz XSHLNNUTAVQYNF-UHFFFAOYSA-N 1 2 253.305 1.594 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000274240057 359495960 /nfs/dbraw/zinc/49/59/60/359495960.db2.gz XSHLNNUTAVQYNF-UHFFFAOYSA-N 1 2 253.305 1.594 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CCN(C)c2[nH+]cccc21 ZINC000276654373 359546403 /nfs/dbraw/zinc/54/64/03/359546403.db2.gz ZMIWHGACZMATCT-UHFFFAOYSA-N 1 2 267.354 1.244 20 30 CDEDLO C=CCSCCNC(=O)CCc1c[nH+]cn1C ZINC000276650698 359547836 /nfs/dbraw/zinc/54/78/36/359547836.db2.gz YYXZMGLOTKVPDU-UHFFFAOYSA-N 1 2 253.371 1.388 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCOC[C@H]2c2ccccc2)C1=O ZINC000337172503 360009377 /nfs/dbraw/zinc/00/93/77/360009377.db2.gz GOPFBBNFXJVBIC-HOTGVXAUSA-N 1 2 286.375 1.847 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCOC[C@H]2c2ccccc2)C1=O ZINC000337172503 360009381 /nfs/dbraw/zinc/00/93/81/360009381.db2.gz GOPFBBNFXJVBIC-HOTGVXAUSA-N 1 2 286.375 1.847 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NCCC(C)C)C1=O ZINC000337237676 360048993 /nfs/dbraw/zinc/04/89/93/360048993.db2.gz YUDYFXVWFBNEJM-KGLIPLIRSA-N 1 2 295.427 1.256 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)NCCC(C)C)C1=O ZINC000337237676 360048996 /nfs/dbraw/zinc/04/89/96/360048996.db2.gz YUDYFXVWFBNEJM-KGLIPLIRSA-N 1 2 295.427 1.256 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H]1CCCCNC1=O ZINC000298263685 200376698 /nfs/dbraw/zinc/37/66/98/200376698.db2.gz VYJRSPKILDCTAW-HNNXBMFYSA-N 1 2 274.339 1.930 20 30 CDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H]1CCCCNC1=O ZINC000298263685 200376699 /nfs/dbraw/zinc/37/66/99/200376699.db2.gz VYJRSPKILDCTAW-HNNXBMFYSA-N 1 2 274.339 1.930 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CCO1 ZINC000176902808 189013634 /nfs/dbraw/zinc/01/36/34/189013634.db2.gz AANXNUXCLWVKJJ-ZDUSSCGKSA-N 1 2 264.300 1.545 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CCO1 ZINC000176902808 189013635 /nfs/dbraw/zinc/01/36/35/189013635.db2.gz AANXNUXCLWVKJJ-ZDUSSCGKSA-N 1 2 264.300 1.545 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](O)C1 ZINC000176981832 189018487 /nfs/dbraw/zinc/01/84/87/189018487.db2.gz IFTMDMFVMGQENX-KBPBESRZSA-N 1 2 274.320 1.229 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](O)C1 ZINC000176981832 189018488 /nfs/dbraw/zinc/01/84/88/189018488.db2.gz IFTMDMFVMGQENX-KBPBESRZSA-N 1 2 274.320 1.229 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000337648768 360313187 /nfs/dbraw/zinc/31/31/87/360313187.db2.gz JZVXCNGUWVROOW-ZFWWWQNUSA-N 1 2 289.379 1.536 20 30 CDEDLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000127888255 360683805 /nfs/dbraw/zinc/68/38/05/360683805.db2.gz HAUGSYWMPZGNAX-LRDDRELGSA-N 1 2 286.379 1.883 20 30 CDEDLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000127888255 360683807 /nfs/dbraw/zinc/68/38/07/360683807.db2.gz HAUGSYWMPZGNAX-LRDDRELGSA-N 1 2 286.379 1.883 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000245609482 360717761 /nfs/dbraw/zinc/71/77/61/360717761.db2.gz JLZFHGITNYQIIW-HOCLYGCPSA-N 1 2 286.375 1.068 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000245609482 360717768 /nfs/dbraw/zinc/71/77/68/360717768.db2.gz JLZFHGITNYQIIW-HOCLYGCPSA-N 1 2 286.375 1.068 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000245874373 360759268 /nfs/dbraw/zinc/75/92/68/360759268.db2.gz MLYVYULEGUKGLJ-ZFWWWQNUSA-N 1 2 279.384 1.152 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCOC[C@H]1C1CC1 ZINC000245874373 360759273 /nfs/dbraw/zinc/75/92/73/360759273.db2.gz MLYVYULEGUKGLJ-ZFWWWQNUSA-N 1 2 279.384 1.152 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@H](c1ccccc1)c1cncnc1 ZINC000349800567 360945494 /nfs/dbraw/zinc/94/54/94/360945494.db2.gz MZKRKZHYCRBBOV-MRXNPFEDSA-N 1 2 282.347 1.458 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC1(CC#N)CC1 ZINC000431205627 360980670 /nfs/dbraw/zinc/98/06/70/360980670.db2.gz YWNOILJMANSRBZ-ZDUSSCGKSA-N 1 2 294.399 1.042 20 30 CDEDLO C=CC[N@@H+](CCC(=O)OC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000157966558 361066400 /nfs/dbraw/zinc/06/64/00/361066400.db2.gz DNZOAFORISVZJY-LBPRGKRZSA-N 1 2 289.397 1.003 20 30 CDEDLO C=CC[N@H+](CCC(=O)OC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000157966558 361066403 /nfs/dbraw/zinc/06/64/03/361066403.db2.gz DNZOAFORISVZJY-LBPRGKRZSA-N 1 2 289.397 1.003 20 30 CDEDLO C=CCn1c(=O)[nH]nc1SCCCn1cc[nH+]c1 ZINC000180438392 189255385 /nfs/dbraw/zinc/25/53/85/189255385.db2.gz WJQZSIIGBOTYDN-UHFFFAOYSA-N 1 2 265.342 1.136 20 30 CDEDLO C[NH+]1CCN(C(=O)[C@H](C#N)CCc2ccccc2)CC1 ZINC000433105892 361211180 /nfs/dbraw/zinc/21/11/80/361211180.db2.gz RUKPYEJVIDNRCI-HNNXBMFYSA-N 1 2 271.364 1.533 20 30 CDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1ccccc1C#N ZINC000367211934 361235080 /nfs/dbraw/zinc/23/50/80/361235080.db2.gz NWCYAZBFOZAEQQ-WMLDXEAASA-N 1 2 285.391 1.853 20 30 CDEDLO CC#CC[NH+]1CCN(CC(=O)Nc2cccc(C)c2C)CC1 ZINC000158497590 361263956 /nfs/dbraw/zinc/26/39/56/361263956.db2.gz JKEHTIIPEKWXKH-UHFFFAOYSA-N 1 2 299.418 1.883 20 30 CDEDLO CCOC1CC(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000329384434 361495279 /nfs/dbraw/zinc/49/52/79/361495279.db2.gz PJZPOWCLBMFKPD-MOENNCHZSA-N 1 2 263.341 1.970 20 30 CDEDLO N#CCc1ccnc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000562453376 361450730 /nfs/dbraw/zinc/45/07/30/361450730.db2.gz JXORPBKCUNNJCV-LBPRGKRZSA-N 1 2 281.319 1.545 20 30 CDEDLO C[C@H](C#N)CNC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000566436579 370721775 /nfs/dbraw/zinc/72/17/75/370721775.db2.gz CAHVBWHPYCYTOG-BDAKNGLRSA-N 1 2 288.273 1.732 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@H]1C ZINC000639687928 364405838 /nfs/dbraw/zinc/40/58/38/364405838.db2.gz KSRLLJFEPHAVMA-BFHYXJOUSA-N 1 2 293.411 1.127 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@H]1C ZINC000639687928 364405843 /nfs/dbraw/zinc/40/58/43/364405843.db2.gz KSRLLJFEPHAVMA-BFHYXJOUSA-N 1 2 293.411 1.127 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496712596 366849254 /nfs/dbraw/zinc/84/92/54/366849254.db2.gz MZBHXMLCMKTFOZ-NEPJUHHUSA-N 1 2 285.388 1.448 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496712596 366849262 /nfs/dbraw/zinc/84/92/62/366849262.db2.gz MZBHXMLCMKTFOZ-NEPJUHHUSA-N 1 2 285.388 1.448 20 30 CDEDLO C=C[C@H](C)Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000302921134 364600510 /nfs/dbraw/zinc/60/05/10/364600510.db2.gz ZXKCAZDIQMMGTE-NWDGAFQWSA-N 1 2 262.357 1.814 20 30 CDEDLO C=C[C@H](C)Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000302921134 364600511 /nfs/dbraw/zinc/60/05/11/364600511.db2.gz ZXKCAZDIQMMGTE-NWDGAFQWSA-N 1 2 262.357 1.814 20 30 CDEDLO Cc1cn2cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)sc2n1 ZINC000580197902 364868098 /nfs/dbraw/zinc/86/80/98/364868098.db2.gz KFCFWNPGMIEKCJ-CYBMUJFWSA-N 1 2 291.380 1.278 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2c(C)onc2CC)nn1 ZINC000641055212 364907205 /nfs/dbraw/zinc/90/72/05/364907205.db2.gz FIXODYLQUWJVOJ-UHFFFAOYSA-N 1 2 273.340 1.298 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000497112065 366867608 /nfs/dbraw/zinc/86/76/08/366867608.db2.gz YRIQOOCMVGQWNB-LLVKDONJSA-N 1 2 251.330 1.453 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000497112065 366867613 /nfs/dbraw/zinc/86/76/13/366867613.db2.gz YRIQOOCMVGQWNB-LLVKDONJSA-N 1 2 251.330 1.453 20 30 CDEDLO Cc1cc(NCc2nnc(C3CC3)n2C)c(C#N)c[nH+]1 ZINC000564077738 365372175 /nfs/dbraw/zinc/37/21/75/365372175.db2.gz RGUYRCJOUALEKB-UHFFFAOYSA-N 1 2 268.324 1.302 20 30 CDEDLO Cc1ncsc1C[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000171750668 365377541 /nfs/dbraw/zinc/37/75/41/365377541.db2.gz GXALBUYDGAVJFR-CQSZACIVSA-N 1 2 292.408 1.692 20 30 CDEDLO Cc1ncsc1C[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000171750668 365377547 /nfs/dbraw/zinc/37/75/47/365377547.db2.gz GXALBUYDGAVJFR-CQSZACIVSA-N 1 2 292.408 1.692 20 30 CDEDLO CC[C@@H]1C[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C[C@H]1O ZINC000270906133 366943191 /nfs/dbraw/zinc/94/31/91/366943191.db2.gz NHHDNMUGPSULKA-YUELXQCFSA-N 1 2 288.347 1.475 20 30 CDEDLO CC[C@@H]1C[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C[C@H]1O ZINC000270906133 366943193 /nfs/dbraw/zinc/94/31/93/366943193.db2.gz NHHDNMUGPSULKA-YUELXQCFSA-N 1 2 288.347 1.475 20 30 CDEDLO C=C(C)[C@@H]([NH2+]Cc1nnnn1C)c1ccc(F)c(F)c1 ZINC000360613430 368391962 /nfs/dbraw/zinc/39/19/62/368391962.db2.gz OSBUCYHCCZIUCS-CYBMUJFWSA-N 1 2 279.294 1.895 20 30 CDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CCCC#N ZINC000360613801 368392482 /nfs/dbraw/zinc/39/24/82/368392482.db2.gz VLAPDJOYGMBKPD-OLZOCXBDSA-N 1 2 265.357 1.002 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(C#N)s1 ZINC000420811807 244395233 /nfs/dbraw/zinc/39/52/33/244395233.db2.gz FMYYGORGRWNPCD-JTQLQIEISA-N 1 2 289.364 1.704 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000365234290 284155534 /nfs/dbraw/zinc/15/55/34/284155534.db2.gz NJDWXIFNZJDEFV-KBPBESRZSA-N 1 2 291.351 1.049 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000365234290 284155536 /nfs/dbraw/zinc/15/55/36/284155536.db2.gz NJDWXIFNZJDEFV-KBPBESRZSA-N 1 2 291.351 1.049 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+]CC(=O)N1CCc2ccccc21 ZINC000554552200 370225611 /nfs/dbraw/zinc/22/56/11/370225611.db2.gz MFCKYLGNXMBQER-CYBMUJFWSA-N 1 2 282.347 1.609 20 30 CDEDLO CC(C)c1noc(CCC(=O)N[C@](C)(C#N)C[NH+](C)C)n1 ZINC000564871344 370282854 /nfs/dbraw/zinc/28/28/54/370282854.db2.gz GYCYBROKHOVGHT-CQSZACIVSA-N 1 2 293.371 1.086 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121201250 370506767 /nfs/dbraw/zinc/50/67/67/370506767.db2.gz JNXWJUMFCOSJCG-WMLDXEAASA-N 1 2 288.391 1.925 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121201250 370506772 /nfs/dbraw/zinc/50/67/72/370506772.db2.gz JNXWJUMFCOSJCG-WMLDXEAASA-N 1 2 288.391 1.925 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000567685751 371098207 /nfs/dbraw/zinc/09/82/07/371098207.db2.gz KZKSLAOFZYMMLL-GFCCVEGCSA-N 1 2 254.374 1.426 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000567685751 371098214 /nfs/dbraw/zinc/09/82/14/371098214.db2.gz KZKSLAOFZYMMLL-GFCCVEGCSA-N 1 2 254.374 1.426 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CC[S@@](=O)C1 ZINC000277368863 371095111 /nfs/dbraw/zinc/09/51/11/371095111.db2.gz FOWIGTBEGWXQRZ-KZULUSFZSA-N 1 2 262.378 1.759 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[S@@](=O)C1 ZINC000277368863 371095118 /nfs/dbraw/zinc/09/51/18/371095118.db2.gz FOWIGTBEGWXQRZ-KZULUSFZSA-N 1 2 262.378 1.759 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](Cn3cncn3)C2)cc1 ZINC000331751520 204123341 /nfs/dbraw/zinc/12/33/41/204123341.db2.gz ZJBUDDOBXNPVIF-HNNXBMFYSA-N 1 2 283.335 1.051 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](Cn3cncn3)C2)cc1 ZINC000331751520 204123345 /nfs/dbraw/zinc/12/33/45/204123345.db2.gz ZJBUDDOBXNPVIF-HNNXBMFYSA-N 1 2 283.335 1.051 20 30 CDEDLO CCc1ccc(C[NH+]2CCN(C(=O)CC#N)CC2)cc1 ZINC000568176133 371207289 /nfs/dbraw/zinc/20/72/89/371207289.db2.gz QYZVCPPFSUVERB-UHFFFAOYSA-N 1 2 271.364 1.807 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CC#N)c1ccc(F)cc1 ZINC000169812828 372092532 /nfs/dbraw/zinc/09/25/32/372092532.db2.gz KZFSZLDOKVNWFW-ZDUSSCGKSA-N 1 2 272.283 1.678 20 30 CDEDLO CC1(C)C[N@H+](CC(=O)NC2(C#N)CCC2)[C@H]1[C@H]1CCCO1 ZINC000577837113 372135936 /nfs/dbraw/zinc/13/59/36/372135936.db2.gz YFJCNSPGTUQZNM-OCCSQVGLSA-N 1 2 291.395 1.438 20 30 CDEDLO CC1(C)C[N@@H+](CC(=O)NC2(C#N)CCC2)[C@H]1[C@H]1CCCO1 ZINC000577837113 372135939 /nfs/dbraw/zinc/13/59/39/372135939.db2.gz YFJCNSPGTUQZNM-OCCSQVGLSA-N 1 2 291.395 1.438 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000578308528 372380200 /nfs/dbraw/zinc/38/02/00/372380200.db2.gz UTHOZKKENVLOIS-KGLIPLIRSA-N 1 2 285.347 1.850 20 30 CDEDLO CCO[C@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)C(C)C ZINC000579013922 372550507 /nfs/dbraw/zinc/55/05/07/372550507.db2.gz KRFULKGZZACRHB-OCCSQVGLSA-N 1 2 269.389 1.398 20 30 CDEDLO CCCCS[C@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000578776232 372545962 /nfs/dbraw/zinc/54/59/62/372545962.db2.gz ZNSCBLOHSZFJIP-YPMHNXCESA-N 1 2 271.430 1.868 20 30 CDEDLO COC[C@@](C)([NH2+]CCCC(C)(C)C#N)C(=O)OC ZINC000182594577 372609044 /nfs/dbraw/zinc/60/90/44/372609044.db2.gz MCFCEZMYRGHDQZ-CYBMUJFWSA-N 1 2 256.346 1.484 20 30 CDEDLO C[C@H](C#N)C[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000183831604 372644039 /nfs/dbraw/zinc/64/40/39/372644039.db2.gz XKLNUDFGPZKPND-SNVBAGLBSA-N 1 2 266.370 1.229 20 30 CDEDLO N#Cc1c(Cl)cccc1NC[C@H](O)C[NH+]1CCOCC1 ZINC000266416909 372781836 /nfs/dbraw/zinc/78/18/36/372781836.db2.gz HVGCMMFEHUVJCP-NSHDSACASA-N 1 2 295.770 1.317 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+](C)Cc1ccnn1C ZINC000348398802 373167255 /nfs/dbraw/zinc/16/72/55/373167255.db2.gz IAFKVDIXROLPKZ-UHFFFAOYSA-N 1 2 270.336 1.932 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+](C)Cc1ccnn1C ZINC000348398802 373167262 /nfs/dbraw/zinc/16/72/62/373167262.db2.gz IAFKVDIXROLPKZ-UHFFFAOYSA-N 1 2 270.336 1.932 20 30 CDEDLO C#CCCCC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000192037725 373574782 /nfs/dbraw/zinc/57/47/82/373574782.db2.gz XXODIFXIMDARSY-UHFFFAOYSA-N 1 2 291.420 1.981 20 30 CDEDLO C#CCCCC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000192037725 373574791 /nfs/dbraw/zinc/57/47/91/373574791.db2.gz XXODIFXIMDARSY-UHFFFAOYSA-N 1 2 291.420 1.981 20 30 CDEDLO C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1Cc1nc(C#N)cs1 ZINC000356258785 373835242 /nfs/dbraw/zinc/83/52/42/373835242.db2.gz MJKAMNXHDICMJI-YPMHNXCESA-N 1 2 292.408 1.310 20 30 CDEDLO C[C@@H]1[C@@H](N2CCOCC2)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000356258785 373835248 /nfs/dbraw/zinc/83/52/48/373835248.db2.gz MJKAMNXHDICMJI-YPMHNXCESA-N 1 2 292.408 1.310 20 30 CDEDLO C[C@@H]1[C@@H](N2CCOCC2)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000356258785 373835249 /nfs/dbraw/zinc/83/52/49/373835249.db2.gz MJKAMNXHDICMJI-YPMHNXCESA-N 1 2 292.408 1.310 20 30 CDEDLO CN(C)C(=O)NCC[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000360121035 374001676 /nfs/dbraw/zinc/00/16/76/374001676.db2.gz CYRZDUJSVFYDMH-UHFFFAOYSA-N 1 2 294.786 1.915 20 30 CDEDLO CN(C)C(=O)NCC[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000360121035 374001685 /nfs/dbraw/zinc/00/16/85/374001685.db2.gz CYRZDUJSVFYDMH-UHFFFAOYSA-N 1 2 294.786 1.915 20 30 CDEDLO N#Cc1ccc(OCC[N@@H+]2CCc3nn[nH]c3C2)cc1 ZINC000351597725 374263536 /nfs/dbraw/zinc/26/35/36/374263536.db2.gz SBZDKLLKHDSXMW-UHFFFAOYSA-N 1 2 269.308 1.113 20 30 CDEDLO N#Cc1ccc(OCC[N@H+]2CCc3nn[nH]c3C2)cc1 ZINC000351597725 374263547 /nfs/dbraw/zinc/26/35/47/374263547.db2.gz SBZDKLLKHDSXMW-UHFFFAOYSA-N 1 2 269.308 1.113 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H]1O ZINC000351812243 374279200 /nfs/dbraw/zinc/27/92/00/374279200.db2.gz PMKMAVPQKWIJOI-ZANVPECISA-N 1 2 293.754 1.463 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H]1O ZINC000351812243 374279214 /nfs/dbraw/zinc/27/92/14/374279214.db2.gz PMKMAVPQKWIJOI-ZANVPECISA-N 1 2 293.754 1.463 20 30 CDEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(C3(C#N)CCC3)n2)C1 ZINC000349846352 374308488 /nfs/dbraw/zinc/30/84/88/374308488.db2.gz FVQOUFVSOMSELA-LLVKDONJSA-N 1 2 276.340 1.797 20 30 CDEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(C3(C#N)CCC3)n2)C1 ZINC000349846352 374308496 /nfs/dbraw/zinc/30/84/96/374308496.db2.gz FVQOUFVSOMSELA-LLVKDONJSA-N 1 2 276.340 1.797 20 30 CDEDLO C=CCC[N@@H+](C)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000342728188 374466066 /nfs/dbraw/zinc/46/60/66/374466066.db2.gz DGAUESQKIBPEME-UHFFFAOYSA-N 1 2 279.365 1.516 20 30 CDEDLO C=CCC[N@H+](C)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000342728188 374466072 /nfs/dbraw/zinc/46/60/72/374466072.db2.gz DGAUESQKIBPEME-UHFFFAOYSA-N 1 2 279.365 1.516 20 30 CDEDLO C[C@@H]1CC[N@H+](CCOc2cccc(C#N)c2)CC[S@]1=O ZINC000277215830 374778196 /nfs/dbraw/zinc/77/81/96/374778196.db2.gz NOKVJEKAKKGJHQ-ZUOKHONESA-N 1 2 292.404 1.780 20 30 CDEDLO C[C@@H]1CC[N@@H+](CCOc2cccc(C#N)c2)CC[S@]1=O ZINC000277215830 374778200 /nfs/dbraw/zinc/77/82/00/374778200.db2.gz NOKVJEKAKKGJHQ-ZUOKHONESA-N 1 2 292.404 1.780 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2CCS(=O)(=O)[C@H]2C1 ZINC000353118270 374990991 /nfs/dbraw/zinc/99/09/91/374990991.db2.gz LKPSJPZDGKTSFZ-DFBGVHRSSA-N 1 2 290.388 1.738 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H]2CCS(=O)(=O)[C@H]2C1 ZINC000353118270 374990998 /nfs/dbraw/zinc/99/09/98/374990998.db2.gz LKPSJPZDGKTSFZ-DFBGVHRSSA-N 1 2 290.388 1.738 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)CCO1 ZINC000282234524 375073420 /nfs/dbraw/zinc/07/34/20/375073420.db2.gz ISDIJXDKTOQJCL-CQSZACIVSA-N 1 2 276.336 1.414 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)CCO1 ZINC000282234524 375073430 /nfs/dbraw/zinc/07/34/30/375073430.db2.gz ISDIJXDKTOQJCL-CQSZACIVSA-N 1 2 276.336 1.414 20 30 CDEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000282044718 375061734 /nfs/dbraw/zinc/06/17/34/375061734.db2.gz GENQSYFDKFNELU-BXUZGUMPSA-N 1 2 278.377 1.738 20 30 CDEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000282044718 375061741 /nfs/dbraw/zinc/06/17/41/375061741.db2.gz GENQSYFDKFNELU-BXUZGUMPSA-N 1 2 278.377 1.738 20 30 CDEDLO C[C@@H]1CC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)=NO1 ZINC000359875363 375473882 /nfs/dbraw/zinc/47/38/82/375473882.db2.gz SXHBLYQXHQDYNK-DGCLKSJQSA-N 1 2 288.351 1.285 20 30 CDEDLO C[C@@H]1CC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)=NO1 ZINC000359875363 375473886 /nfs/dbraw/zinc/47/38/86/375473886.db2.gz SXHBLYQXHQDYNK-DGCLKSJQSA-N 1 2 288.351 1.285 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000160807246 375497817 /nfs/dbraw/zinc/49/78/17/375497817.db2.gz WDBMZASIXINVER-AWEZNQCLSA-N 1 2 275.327 1.798 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000160807246 375497828 /nfs/dbraw/zinc/49/78/28/375497828.db2.gz WDBMZASIXINVER-AWEZNQCLSA-N 1 2 275.327 1.798 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000135028036 375675015 /nfs/dbraw/zinc/67/50/15/375675015.db2.gz BENHIFSZJNNTOD-UKRRQHHQSA-N 1 2 267.417 1.341 20 30 CDEDLO C[C@H](CNC(=O)c1cccnc1N(C)C)[NH+]1CCOCC1 ZINC000330505096 376211370 /nfs/dbraw/zinc/21/13/70/376211370.db2.gz ABHCOSYPGKLWKR-GFCCVEGCSA-N 1 2 292.383 1.173 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000330592652 376287077 /nfs/dbraw/zinc/28/70/77/376287077.db2.gz ZXBGWWKDVROIFL-ZIAGYGMSSA-N 1 2 279.384 1.727 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000330592652 376287079 /nfs/dbraw/zinc/28/70/79/376287079.db2.gz ZXBGWWKDVROIFL-ZIAGYGMSSA-N 1 2 279.384 1.727 20 30 CDEDLO CCn1cc[nH+]c1CNC(=O)COc1ccccc1C#N ZINC000295770709 376701424 /nfs/dbraw/zinc/70/14/24/376701424.db2.gz PFLAUCFITKRNCO-UHFFFAOYSA-N 1 2 284.319 1.470 20 30 CDEDLO COCCC[C@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000572125299 377722899 /nfs/dbraw/zinc/72/28/99/377722899.db2.gz WGKAWKVNQMQJQO-WCQYABFASA-N 1 2 255.362 1.009 20 30 CDEDLO COC[C@@H]1C[N@H+](CCOc2ccccc2C#N)CCO1 ZINC000172878093 377786852 /nfs/dbraw/zinc/78/68/52/377786852.db2.gz LXFCRRLQGSZJHV-AWEZNQCLSA-N 1 2 276.336 1.284 20 30 CDEDLO COC[C@@H]1C[N@@H+](CCOc2ccccc2C#N)CCO1 ZINC000172878093 377786860 /nfs/dbraw/zinc/78/68/60/377786860.db2.gz LXFCRRLQGSZJHV-AWEZNQCLSA-N 1 2 276.336 1.284 20 30 CDEDLO C=CC[N@@H+](Cc1cccc(N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000261641152 377878168 /nfs/dbraw/zinc/87/81/68/377878168.db2.gz GGAYQHJFVYSVJI-AWEZNQCLSA-N 1 2 280.393 1.444 20 30 CDEDLO C=CC[N@H+](Cc1cccc(N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000261641152 377878173 /nfs/dbraw/zinc/87/81/73/377878173.db2.gz GGAYQHJFVYSVJI-AWEZNQCLSA-N 1 2 280.393 1.444 20 30 CDEDLO C=CC[C@@H](CC)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000286245415 378200601 /nfs/dbraw/zinc/20/06/01/378200601.db2.gz KFHKNRSNEJPFIP-MNOVXSKESA-N 1 2 262.313 1.227 20 30 CDEDLO C=CC[C@@H](CC)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000286245415 378200605 /nfs/dbraw/zinc/20/06/05/378200605.db2.gz KFHKNRSNEJPFIP-MNOVXSKESA-N 1 2 262.313 1.227 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCc1cccc(OCCC)c1 ZINC000192238738 378176034 /nfs/dbraw/zinc/17/60/34/378176034.db2.gz QTWMLBGZJZBROQ-UHFFFAOYSA-N 1 2 274.364 1.657 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCc1cccc(OCCC)c1 ZINC000192238738 378176039 /nfs/dbraw/zinc/17/60/39/378176039.db2.gz QTWMLBGZJZBROQ-UHFFFAOYSA-N 1 2 274.364 1.657 20 30 CDEDLO C[C@@H](CC(=O)N(CCC#N)CC1CC1)n1cc[nH+]c1 ZINC000563812487 378182776 /nfs/dbraw/zinc/18/27/76/378182776.db2.gz ABJNJXVGFLZFDA-LBPRGKRZSA-N 1 2 260.341 1.986 20 30 CDEDLO C#CCNC(=O)c1ccc(N[C@H](C)Cn2cc[nH+]c2)nc1 ZINC000290569840 378410814 /nfs/dbraw/zinc/41/08/14/378410814.db2.gz TZEUZLBWSBXWSS-GFCCVEGCSA-N 1 2 283.335 1.142 20 30 CDEDLO COCC[C@@H]1COCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000291114490 378450950 /nfs/dbraw/zinc/45/09/50/378450950.db2.gz AIPHXAOJHMMVFM-MRXNPFEDSA-N 1 2 277.339 1.915 20 30 CDEDLO COCC[C@@H]1COCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000291114490 378450956 /nfs/dbraw/zinc/45/09/56/378450956.db2.gz AIPHXAOJHMMVFM-MRXNPFEDSA-N 1 2 277.339 1.915 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccccc1C(=O)OC ZINC000292896138 378523515 /nfs/dbraw/zinc/52/35/15/378523515.db2.gz AAYDRHWUBUFPKD-UHFFFAOYSA-N 1 2 274.320 1.367 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1ccccc1C(=O)OC ZINC000292896138 378523517 /nfs/dbraw/zinc/52/35/17/378523517.db2.gz AAYDRHWUBUFPKD-UHFFFAOYSA-N 1 2 274.320 1.367 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1OC ZINC000097056664 378482365 /nfs/dbraw/zinc/48/23/65/378482365.db2.gz NBULPABYODXSFQ-LBPRGKRZSA-N 1 2 260.337 1.265 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1OC ZINC000097056664 378482374 /nfs/dbraw/zinc/48/23/74/378482374.db2.gz NBULPABYODXSFQ-LBPRGKRZSA-N 1 2 260.337 1.265 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccccc1OCC ZINC000292904057 378527182 /nfs/dbraw/zinc/52/71/82/378527182.db2.gz AQYJLIPJKQWZAX-UHFFFAOYSA-N 1 2 260.337 1.979 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1ccccc1OCC ZINC000292904057 378527188 /nfs/dbraw/zinc/52/71/88/378527188.db2.gz AQYJLIPJKQWZAX-UHFFFAOYSA-N 1 2 260.337 1.979 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCCn1cc[nH+]c1 ZINC000293125129 378539959 /nfs/dbraw/zinc/53/99/59/378539959.db2.gz QGIGXSGGWKVAHS-UHFFFAOYSA-N 1 2 250.346 1.785 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N[C@@H](C)c1cccs1 ZINC000293361030 378571059 /nfs/dbraw/zinc/57/10/59/378571059.db2.gz ZXWMZXBMPSEZCK-NSHDSACASA-N 1 2 250.367 1.880 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H](C)c1cccs1 ZINC000293361030 378571062 /nfs/dbraw/zinc/57/10/62/378571062.db2.gz ZXWMZXBMPSEZCK-NSHDSACASA-N 1 2 250.367 1.880 20 30 CDEDLO C#CC[NH+]1CCN(CC(=O)N2CCCc3ccccc32)CC1 ZINC000066884671 378719908 /nfs/dbraw/zinc/71/99/08/378719908.db2.gz XKUILYOLGWAYNX-UHFFFAOYSA-N 1 2 297.402 1.217 20 30 CDEDLO CC#CCCCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000185933844 378829418 /nfs/dbraw/zinc/82/94/18/378829418.db2.gz ASHAJSPRTOHUJY-CQSZACIVSA-N 1 2 271.364 1.970 20 30 CDEDLO C#C[C@H](C)NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000186090475 378854058 /nfs/dbraw/zinc/85/40/58/378854058.db2.gz MOJZHCIQHHISOF-GXFFZTMASA-N 1 2 295.333 1.888 20 30 CDEDLO N#CCCCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000344014411 379091713 /nfs/dbraw/zinc/09/17/13/379091713.db2.gz PIYXLTFTQHVYFJ-CYBMUJFWSA-N 1 2 274.324 1.548 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cncc(OC)c2)n1 ZINC000289452841 197354234 /nfs/dbraw/zinc/35/42/34/197354234.db2.gz PGGGGPVYPCOBQL-UHFFFAOYSA-N 1 2 284.363 1.942 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2cncc(OC)c2)n1 ZINC000289452841 197354236 /nfs/dbraw/zinc/35/42/36/197354236.db2.gz PGGGGPVYPCOBQL-UHFFFAOYSA-N 1 2 284.363 1.942 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000662160911 412911757 /nfs/dbraw/zinc/91/17/57/412911757.db2.gz JMSCAYSIMSSNID-ZANVPECISA-N 1 2 284.306 1.279 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)NCCCNc1cccc[nH+]1 ZINC000449853744 251048213 /nfs/dbraw/zinc/04/82/13/251048213.db2.gz CTXBDWUDNQCGRJ-UHFFFAOYSA-N 1 2 283.335 1.822 20 30 CDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000329068124 296321414 /nfs/dbraw/zinc/32/14/14/296321414.db2.gz XJCOLKJCQRLARN-MCIONIFRSA-N 1 2 293.411 1.828 20 30 CDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000329068124 296321417 /nfs/dbraw/zinc/32/14/17/296321417.db2.gz XJCOLKJCQRLARN-MCIONIFRSA-N 1 2 293.411 1.828 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)NCCCn1cc[nH+]c1 ZINC000280876482 195011634 /nfs/dbraw/zinc/01/16/34/195011634.db2.gz AXPTYFXMFIHGEK-GFCCVEGCSA-N 1 2 250.346 1.927 20 30 CDEDLO COCC[NH+]1CCN(c2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000425212059 285052567 /nfs/dbraw/zinc/05/25/67/285052567.db2.gz VIVYMEYBBUWXEY-UHFFFAOYSA-N 1 2 290.323 1.235 20 30 CDEDLO CCn1cc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cn1 ZINC000507216896 254099592 /nfs/dbraw/zinc/09/95/92/254099592.db2.gz ZHXFYQRGPWTPHK-AWEZNQCLSA-N 1 2 283.335 1.091 20 30 CDEDLO C[C@H]1CCN(C(=O)c2cc(C#N)ccn2)C[C@H]1n1cc[nH+]c1 ZINC000288256603 197037851 /nfs/dbraw/zinc/03/78/51/197037851.db2.gz FPYQIZAWZJIKQA-SWLSCSKDSA-N 1 2 295.346 1.873 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCCCCCC)C1=O ZINC000281484846 195259976 /nfs/dbraw/zinc/25/99/76/195259976.db2.gz WVGHHEMUBFYTSA-CQSZACIVSA-N 1 2 295.427 1.402 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCCCCCC)C1=O ZINC000281484846 195259978 /nfs/dbraw/zinc/25/99/78/195259978.db2.gz WVGHHEMUBFYTSA-CQSZACIVSA-N 1 2 295.427 1.402 20 30 CDEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1nccc(N)n1 ZINC000134958986 390407490 /nfs/dbraw/zinc/40/74/90/390407490.db2.gz GFGFLGTYGUVFMC-UHFFFAOYSA-N 1 2 253.309 1.562 20 30 CDEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1nccc(N)n1 ZINC000134958986 390407494 /nfs/dbraw/zinc/40/74/94/390407494.db2.gz GFGFLGTYGUVFMC-UHFFFAOYSA-N 1 2 253.309 1.562 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1Cc2ccccc2C1 ZINC000107306522 390573099 /nfs/dbraw/zinc/57/30/99/390573099.db2.gz MKOJGZRJYWTMKB-LBPRGKRZSA-N 1 2 257.337 1.763 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159676464 390940848 /nfs/dbraw/zinc/94/08/48/390940848.db2.gz OFEUSRGMZZXZNU-KRWDZBQOSA-N 1 2 286.375 1.463 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159676464 390940849 /nfs/dbraw/zinc/94/08/49/390940849.db2.gz OFEUSRGMZZXZNU-KRWDZBQOSA-N 1 2 286.375 1.463 20 30 CDEDLO Cc1ccccc1-c1noc([C@@H](C)O[NH+]=C(N)CCO)n1 ZINC000121309706 390883429 /nfs/dbraw/zinc/88/34/29/390883429.db2.gz XUSQEHJRCSDSJL-SNVBAGLBSA-N 1 2 290.323 1.777 20 30 CDEDLO [O-]C(=[NH+][C@H]1CCCSC1)N1CCn2c[nH+]cc2C1 ZINC000329609388 391030266 /nfs/dbraw/zinc/03/02/66/391030266.db2.gz CWXJUOAPPLRQNH-JTQLQIEISA-N 1 2 266.370 1.508 20 30 CDEDLO O=C(N[C@H]1CCCSC1)N1CCn2c[nH+]cc2C1 ZINC000329609388 391030270 /nfs/dbraw/zinc/03/02/70/391030270.db2.gz CWXJUOAPPLRQNH-JTQLQIEISA-N 1 2 266.370 1.508 20 30 CDEDLO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCC(=O)NC1=O ZINC000329512090 391001475 /nfs/dbraw/zinc/00/14/75/391001475.db2.gz CGBAKMSBLGLCIQ-GHMZBOCLSA-N 1 2 281.356 1.853 20 30 CDEDLO C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCC(=O)NC1=O ZINC000329512090 391001480 /nfs/dbraw/zinc/00/14/80/391001480.db2.gz CGBAKMSBLGLCIQ-GHMZBOCLSA-N 1 2 281.356 1.853 20 30 CDEDLO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CC(=O)NCC#N ZINC000351202694 391057328 /nfs/dbraw/zinc/05/73/28/391057328.db2.gz MXACPPAGXXBDGQ-IINYFYTJSA-N 1 2 295.770 1.645 20 30 CDEDLO N#CC1(F)CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000352467944 391149529 /nfs/dbraw/zinc/14/95/29/391149529.db2.gz OPGFIYMRJIAKFI-UHFFFAOYSA-N 1 2 286.310 1.522 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000335099128 391159547 /nfs/dbraw/zinc/15/95/47/391159547.db2.gz VEDTYHKHHFWOCE-ZIAGYGMSSA-N 1 2 280.412 1.910 20 30 CDEDLO CCC[N@@H+](CC#N)CCC(=O)Nc1cc(N)ccc1F ZINC000177019146 391162336 /nfs/dbraw/zinc/16/23/36/391162336.db2.gz GUUIYNCIQQNPTE-UHFFFAOYSA-N 1 2 278.331 1.972 20 30 CDEDLO CCC[N@H+](CC#N)CCC(=O)Nc1cc(N)ccc1F ZINC000177019146 391162338 /nfs/dbraw/zinc/16/23/38/391162338.db2.gz GUUIYNCIQQNPTE-UHFFFAOYSA-N 1 2 278.331 1.972 20 30 CDEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000267208334 391189891 /nfs/dbraw/zinc/18/98/91/391189891.db2.gz PYYLKSOUNBVFAD-LBPRGKRZSA-N 1 2 288.351 1.959 20 30 CDEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000267208334 391189896 /nfs/dbraw/zinc/18/98/96/391189896.db2.gz PYYLKSOUNBVFAD-LBPRGKRZSA-N 1 2 288.351 1.959 20 30 CDEDLO C#CCCCS(=O)(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000376313889 391222227 /nfs/dbraw/zinc/22/22/27/391222227.db2.gz KUYBILQDRBVQPZ-OAHLLOKOSA-N 1 2 292.404 1.506 20 30 CDEDLO C#CCCCS(=O)(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000376313889 391222228 /nfs/dbraw/zinc/22/22/28/391222228.db2.gz KUYBILQDRBVQPZ-OAHLLOKOSA-N 1 2 292.404 1.506 20 30 CDEDLO Cn1cnnc1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000338952784 391233498 /nfs/dbraw/zinc/23/34/98/391233498.db2.gz PRWPUEPHCAGRAA-UHFFFAOYSA-N 1 2 285.351 1.787 20 30 CDEDLO C=CCOCC[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000339052426 391246233 /nfs/dbraw/zinc/24/62/33/391246233.db2.gz IZDWYGLMYMEZJU-CXAGYDPISA-N 1 2 297.358 1.534 20 30 CDEDLO C=CCOCC[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000339052426 391246236 /nfs/dbraw/zinc/24/62/36/391246236.db2.gz IZDWYGLMYMEZJU-CXAGYDPISA-N 1 2 297.358 1.534 20 30 CDEDLO CN(C)c1noc([C@H]2CCC[N@H+](CC3(C#N)CC3)C2)n1 ZINC000338385963 391201032 /nfs/dbraw/zinc/20/10/32/391201032.db2.gz QVLRBHTVWIGDIS-NSHDSACASA-N 1 2 275.356 1.619 20 30 CDEDLO CN(C)c1noc([C@H]2CCC[N@@H+](CC3(C#N)CC3)C2)n1 ZINC000338385963 391201037 /nfs/dbraw/zinc/20/10/37/391201037.db2.gz QVLRBHTVWIGDIS-NSHDSACASA-N 1 2 275.356 1.619 20 30 CDEDLO CN(C(=O)C[N@@H+]1CC[C@](F)(CO)C1)C1(C#N)CCCCC1 ZINC000338623717 391215933 /nfs/dbraw/zinc/21/59/33/391215933.db2.gz CAXVTOONXNESFH-CQSZACIVSA-N 1 2 297.374 1.078 20 30 CDEDLO CN(C(=O)C[N@H+]1CC[C@](F)(CO)C1)C1(C#N)CCCCC1 ZINC000338623717 391215938 /nfs/dbraw/zinc/21/59/38/391215938.db2.gz CAXVTOONXNESFH-CQSZACIVSA-N 1 2 297.374 1.078 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)OCC ZINC000339221714 391271696 /nfs/dbraw/zinc/27/16/96/391271696.db2.gz JZJARITXWMPPIP-LSDHHAIUSA-N 1 2 296.411 1.337 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)OCC ZINC000339221714 391271700 /nfs/dbraw/zinc/27/17/00/391271700.db2.gz JZJARITXWMPPIP-LSDHHAIUSA-N 1 2 296.411 1.337 20 30 CDEDLO CC#CC[N@H+](C)Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000339759070 391350269 /nfs/dbraw/zinc/35/02/69/391350269.db2.gz JJXXDUMDTBTEOY-UHFFFAOYSA-N 1 2 258.325 1.877 20 30 CDEDLO CC#CC[N@@H+](C)Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000339759070 391350270 /nfs/dbraw/zinc/35/02/70/391350270.db2.gz JJXXDUMDTBTEOY-UHFFFAOYSA-N 1 2 258.325 1.877 20 30 CDEDLO Cc1cccn2cc(CC(=O)N[C@@]3(C#N)CC3(C)C)[nH+]c12 ZINC000335175063 391356092 /nfs/dbraw/zinc/35/60/92/391356092.db2.gz AMCGEVMABRGWLF-MRXNPFEDSA-N 1 2 282.347 1.994 20 30 CDEDLO Cc1cccn2cc(CC(=O)N[C@]3(C#N)CC3(C)C)[nH+]c12 ZINC000335175057 391356304 /nfs/dbraw/zinc/35/63/04/391356304.db2.gz AMCGEVMABRGWLF-INIZCTEOSA-N 1 2 282.347 1.994 20 30 CDEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(CC(C)(C)C#N)n2)C1 ZINC000346795532 391369045 /nfs/dbraw/zinc/36/90/45/391369045.db2.gz MBDKZLCAXWJBBF-NSHDSACASA-N 1 2 278.356 1.944 20 30 CDEDLO CC(C)[N@H+]1CCO[C@H](c2noc(CC(C)(C)C#N)n2)C1 ZINC000346795532 391369051 /nfs/dbraw/zinc/36/90/51/391369051.db2.gz MBDKZLCAXWJBBF-NSHDSACASA-N 1 2 278.356 1.944 20 30 CDEDLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000346842017 391374348 /nfs/dbraw/zinc/37/43/48/391374348.db2.gz UXCXPLDWJWACMN-NSHDSACASA-N 1 2 261.325 1.835 20 30 CDEDLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000346842017 391374351 /nfs/dbraw/zinc/37/43/51/391374351.db2.gz UXCXPLDWJWACMN-NSHDSACASA-N 1 2 261.325 1.835 20 30 CDEDLO C#CC[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000112073664 391379363 /nfs/dbraw/zinc/37/93/63/391379363.db2.gz LWYZFRFFRABPMD-UHFFFAOYSA-N 1 2 296.330 1.898 20 30 CDEDLO CNc1snc(C)c1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330623281 391461590 /nfs/dbraw/zinc/46/15/90/391461590.db2.gz PHLFZKBPTJPEJB-VIFPVBQESA-N 1 2 298.412 1.519 20 30 CDEDLO CNc1snc(C)c1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330623281 391461593 /nfs/dbraw/zinc/46/15/93/391461593.db2.gz PHLFZKBPTJPEJB-VIFPVBQESA-N 1 2 298.412 1.519 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)CCC1(F)F ZINC000335673174 391471443 /nfs/dbraw/zinc/47/14/43/391471443.db2.gz IDULLSOPRCCYPK-JTQLQIEISA-N 1 2 271.311 1.526 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)CCC1(F)F ZINC000335673174 391471448 /nfs/dbraw/zinc/47/14/48/391471448.db2.gz IDULLSOPRCCYPK-JTQLQIEISA-N 1 2 271.311 1.526 20 30 CDEDLO CC[C@](C)(C#N)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000349614746 391566629 /nfs/dbraw/zinc/56/66/29/391566629.db2.gz SQRBVULBFLGTIZ-UKRRQHHQSA-N 1 2 281.400 1.399 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccc(C#N)c(OC)c2)nn1 ZINC000424170721 391623145 /nfs/dbraw/zinc/62/31/45/391623145.db2.gz KGIMUOAVRAJJQY-UHFFFAOYSA-N 1 2 283.335 1.634 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NCCc1ccccc1 ZINC000358993771 391572429 /nfs/dbraw/zinc/57/24/29/391572429.db2.gz ZUJWYTLVKGVPLE-KBPBESRZSA-N 1 2 273.380 1.825 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NCCc1ccccc1 ZINC000358993771 391572432 /nfs/dbraw/zinc/57/24/32/391572432.db2.gz ZUJWYTLVKGVPLE-KBPBESRZSA-N 1 2 273.380 1.825 20 30 CDEDLO Cc1cc(C#N)nc(Nc2ccc(N3CCOCC3)[nH+]c2)n1 ZINC000342059972 130228342 /nfs/dbraw/zinc/22/83/42/130228342.db2.gz JQVGNNAFPCUVAW-UHFFFAOYSA-N 1 2 296.334 1.632 20 30 CDEDLO CC(C)(CC#N)CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413610499 391785915 /nfs/dbraw/zinc/78/59/15/391785915.db2.gz QVINCKILSPUQOE-UHFFFAOYSA-N 1 2 296.415 1.336 20 30 CDEDLO Cc1nc(C)c(CNC(=O)N2CCn3cc[nH+]c3C2)s1 ZINC000329780670 391778264 /nfs/dbraw/zinc/77/82/64/391778264.db2.gz RZGYJKGXROMHLG-UHFFFAOYSA-N 1 2 291.380 1.886 20 30 CDEDLO CC(=O)N1CC(NC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000329943310 391803305 /nfs/dbraw/zinc/80/33/05/391803305.db2.gz HQZCBOVSPZDWQP-UHFFFAOYSA-N 1 2 272.308 1.064 20 30 CDEDLO O=C(NCC1([NH+]2CCOCC2)CC1)[C@H]1CCC(=O)NC1 ZINC000329902169 391796742 /nfs/dbraw/zinc/79/67/42/391796742.db2.gz PEUMGLCFZHVAFW-NSHDSACASA-N 1 2 281.356 1.174 20 30 CDEDLO CC[C@@H]1CC[C@@H](C(=O)NCC2([NH+]3CCOCC3)CC2)O1 ZINC000329917476 391798457 /nfs/dbraw/zinc/79/84/57/391798457.db2.gz QVOLYTZTMHPWQW-OLZOCXBDSA-N 1 2 282.384 1.765 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000192220551 130396240 /nfs/dbraw/zinc/39/62/40/130396240.db2.gz XVOORJMFTAMRAO-INIZCTEOSA-N 1 2 256.349 1.819 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000192220551 130396244 /nfs/dbraw/zinc/39/62/44/130396244.db2.gz XVOORJMFTAMRAO-INIZCTEOSA-N 1 2 256.349 1.819 20 30 CDEDLO N#Cc1ccc(C(=O)NCC[NH+]2CCSCC2)s1 ZINC000487633470 391860068 /nfs/dbraw/zinc/86/00/68/391860068.db2.gz BUHMLFHBBNQYFO-UHFFFAOYSA-N 1 2 281.406 1.398 20 30 CDEDLO CC1(C)C[N@H+](CCNC(=O)N2CCC(C#N)CC2)CCO1 ZINC000171675723 391933701 /nfs/dbraw/zinc/93/37/01/391933701.db2.gz YJTWUWWXXWHAPQ-UHFFFAOYSA-N 1 2 294.399 1.042 20 30 CDEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCC(C#N)CC2)CCO1 ZINC000171675723 391933706 /nfs/dbraw/zinc/93/37/06/391933706.db2.gz YJTWUWWXXWHAPQ-UHFFFAOYSA-N 1 2 294.399 1.042 20 30 CDEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)C[C@@H](CO)O1 ZINC000163113584 391902777 /nfs/dbraw/zinc/90/27/77/391902777.db2.gz IVHSBFKYHMRRBW-ZDUSSCGKSA-N 1 2 278.327 1.669 20 30 CDEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H](CO)O1 ZINC000163113584 391902780 /nfs/dbraw/zinc/90/27/80/391902780.db2.gz IVHSBFKYHMRRBW-ZDUSSCGKSA-N 1 2 278.327 1.669 20 30 CDEDLO C[C@@H](C(=O)N(C)C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000263762970 131324778 /nfs/dbraw/zinc/32/47/78/131324778.db2.gz YLBIKQXEWVUZPF-ZDUSSCGKSA-N 1 2 286.379 1.157 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000459381375 392429359 /nfs/dbraw/zinc/42/93/59/392429359.db2.gz AQFAAIVXUVRZTL-HZMBPMFUSA-N 1 2 275.308 1.669 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000459381375 392429362 /nfs/dbraw/zinc/42/93/62/392429362.db2.gz AQFAAIVXUVRZTL-HZMBPMFUSA-N 1 2 275.308 1.669 20 30 CDEDLO N#Cc1cccc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000548630632 392500391 /nfs/dbraw/zinc/50/03/91/392500391.db2.gz GNPWSYIZRVDJTD-ZDUSSCGKSA-N 1 2 281.319 1.891 20 30 CDEDLO C#CC[NH+]1CCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000491694877 392568332 /nfs/dbraw/zinc/56/83/32/392568332.db2.gz WGYBHZQGPRJENU-UHFFFAOYSA-N 1 2 266.348 1.197 20 30 CDEDLO C=C[C@@H](O)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000646683890 392649464 /nfs/dbraw/zinc/64/94/64/392649464.db2.gz IDVHZVIIUFDWGF-CQSZACIVSA-N 1 2 289.379 1.481 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N(C)c1ncc(C#N)cc1F ZINC000413270351 392832048 /nfs/dbraw/zinc/83/20/48/392832048.db2.gz QXCIZKCBJOGDOP-LLVKDONJSA-N 1 2 278.331 1.249 20 30 CDEDLO C[C@H]1C[N@H+](CCNc2ccc(C#N)cc2[N+](=O)[O-])CCO1 ZINC000523079156 392881968 /nfs/dbraw/zinc/88/19/68/392881968.db2.gz JQZGYXXAUQMJCI-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@H]1C[N@@H+](CCNc2ccc(C#N)cc2[N+](=O)[O-])CCO1 ZINC000523079156 392881971 /nfs/dbraw/zinc/88/19/71/392881971.db2.gz JQZGYXXAUQMJCI-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO CC#CC[C@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000649189956 392973173 /nfs/dbraw/zinc/97/31/73/392973173.db2.gz QAMNKTUKDHBBOG-CQSZACIVSA-N 1 2 283.331 1.376 20 30 CDEDLO Cc1cc(NCC2(C(N)=O)CCCC2)c(C#N)c[nH+]1 ZINC000425225156 392997697 /nfs/dbraw/zinc/99/76/97/392997697.db2.gz KTKGCJCRPAZLEK-UHFFFAOYSA-N 1 2 258.325 1.141 20 30 CDEDLO COCC1(CNc2cc(C)[nH+]cc2C#N)CCOCC1 ZINC000425270407 393012316 /nfs/dbraw/zinc/01/23/16/393012316.db2.gz SPUQQSFDKINYTN-UHFFFAOYSA-N 1 2 275.352 1.539 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000675497076 483319651 /nfs/dbraw/zinc/31/96/51/483319651.db2.gz XDKADFXFPNWTQQ-UWVGGRQHSA-N 1 2 253.264 1.577 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000675497076 483319655 /nfs/dbraw/zinc/31/96/55/483319655.db2.gz XDKADFXFPNWTQQ-UWVGGRQHSA-N 1 2 253.264 1.577 20 30 CDEDLO C=C(CC)Cn1cc(C[NH+]2CCSCC2)nn1 ZINC000656452401 413308189 /nfs/dbraw/zinc/30/81/89/413308189.db2.gz GTIWZSWGFFZRFX-UHFFFAOYSA-N 1 2 252.387 1.793 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNc2cnccc2C#N)CCO1 ZINC000362668387 159208750 /nfs/dbraw/zinc/20/87/50/159208750.db2.gz SHAOSBMFCMLTLH-CYBMUJFWSA-N 1 2 260.341 1.476 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNc2cnccc2C#N)CCO1 ZINC000362668387 159208753 /nfs/dbraw/zinc/20/87/53/159208753.db2.gz SHAOSBMFCMLTLH-CYBMUJFWSA-N 1 2 260.341 1.476 20 30 CDEDLO C=C(CNc1ccnc(C)n1)CNc1cc[nH+]c(C)n1 ZINC000664629401 413557038 /nfs/dbraw/zinc/55/70/38/413557038.db2.gz SAZIYEQBPOVNFP-UHFFFAOYSA-N 1 2 270.340 1.964 20 30 CDEDLO C=CC(C)(C)CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000665024539 413799493 /nfs/dbraw/zinc/79/94/93/413799493.db2.gz YUDXCHHRPZQWAE-OLZOCXBDSA-N 1 2 283.416 1.607 20 30 CDEDLO C=CC(C)(C)CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000665024539 413799499 /nfs/dbraw/zinc/79/94/99/413799499.db2.gz YUDXCHHRPZQWAE-OLZOCXBDSA-N 1 2 283.416 1.607 20 30 CDEDLO C=CCOCCNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000663205588 414052381 /nfs/dbraw/zinc/05/23/81/414052381.db2.gz GCIVITRKQKJERK-UHFFFAOYSA-N 1 2 291.351 1.264 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2cnn(CC)c2)nn1 ZINC000657367862 414231760 /nfs/dbraw/zinc/23/17/60/414231760.db2.gz WIQMPTAGTXJGCZ-UHFFFAOYSA-N 1 2 260.345 1.360 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@H]2CCc3cn[nH]c3C2)nn1 ZINC000657394976 414282530 /nfs/dbraw/zinc/28/25/30/414282530.db2.gz XXPDERHPSXRAMK-LBPRGKRZSA-N 1 2 272.356 1.224 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)nn1 ZINC000657488351 414386622 /nfs/dbraw/zinc/38/66/22/414386622.db2.gz BOJQEESGANGAMU-KBPBESRZSA-N 1 2 289.383 1.097 20 30 CDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](O)C2)cc1Cl ZINC000039490622 174168904 /nfs/dbraw/zinc/16/89/04/174168904.db2.gz SHAVAIWPPRTHCC-LBPRGKRZSA-N 1 2 293.754 1.607 20 30 CDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](O)C2)cc1Cl ZINC000039490622 174168906 /nfs/dbraw/zinc/16/89/06/174168906.db2.gz SHAVAIWPPRTHCC-LBPRGKRZSA-N 1 2 293.754 1.607 20 30 CDEDLO C#CCNC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000076546287 177036862 /nfs/dbraw/zinc/03/68/62/177036862.db2.gz HSCWJWHANWKWIS-UHFFFAOYSA-N 1 2 287.363 1.156 20 30 CDEDLO C[C@@H]1CN(CC[N@H+](C)CCC(C)(C)C#N)C[C@H](C)O1 ZINC000347122817 226034771 /nfs/dbraw/zinc/03/47/71/226034771.db2.gz HJQLQGRSCYITBP-OKILXGFUSA-N 1 2 267.417 1.967 20 30 CDEDLO C[C@@H]1CN(CC[N@@H+](C)CCC(C)(C)C#N)C[C@H](C)O1 ZINC000347122817 226034774 /nfs/dbraw/zinc/03/47/74/226034774.db2.gz HJQLQGRSCYITBP-OKILXGFUSA-N 1 2 267.417 1.967 20 30 CDEDLO C[C@@H]1CC(=O)N[C@H](C(=O)NCc2c[nH+]cn2C)C1 ZINC000329102798 227298773 /nfs/dbraw/zinc/29/87/73/227298773.db2.gz FTOYNFDUHMIVBO-WPRPVWTQSA-N 1 2 250.302 1.632 20 30 CDEDLO O=C(NC1CCOCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000329154615 227331510 /nfs/dbraw/zinc/33/15/10/227331510.db2.gz BJAXUYWYQYTRDH-UHFFFAOYSA-N 1 2 278.356 1.613 20 30 CDEDLO [O-]C(=[NH+]C1CCOCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000329154615 227331516 /nfs/dbraw/zinc/33/15/16/227331516.db2.gz BJAXUYWYQYTRDH-UHFFFAOYSA-N 1 2 278.356 1.613 20 30 CDEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000367478754 260044584 /nfs/dbraw/zinc/04/45/84/260044584.db2.gz NXWYXFXKADLWCL-CYBMUJFWSA-N 1 2 291.351 1.415 20 30 CDEDLO CN(CCC#N)C(=O)CC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000367478754 260044585 /nfs/dbraw/zinc/04/45/85/260044585.db2.gz NXWYXFXKADLWCL-CYBMUJFWSA-N 1 2 291.351 1.415 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)C[C@H](C)O1 ZINC000408127697 260267097 /nfs/dbraw/zinc/26/70/97/260267097.db2.gz FUSHNGVZZRNRRN-UONOGXRCSA-N 1 2 293.411 1.828 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C[C@H](C)O1 ZINC000408127697 260267098 /nfs/dbraw/zinc/26/70/98/260267098.db2.gz FUSHNGVZZRNRRN-UONOGXRCSA-N 1 2 293.411 1.828 20 30 CDEDLO CC(=O)c1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)s1 ZINC000518299710 260371475 /nfs/dbraw/zinc/37/14/75/260371475.db2.gz IQNSJZVGQGHODG-UHFFFAOYSA-N 1 2 291.376 1.668 20 30 CDEDLO NC(=[NH+]OCC(=O)NCC1CC1)c1cccc(Cl)c1 ZINC000154188628 261088501 /nfs/dbraw/zinc/08/85/01/261088501.db2.gz VTJWERIBUPIXAD-UHFFFAOYSA-N 1 2 281.743 1.503 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1ccc(C(=O)OC)s1 ZINC000490821231 261215206 /nfs/dbraw/zinc/21/52/06/261215206.db2.gz RLRZUJMFNXBBPE-UHFFFAOYSA-N 1 2 261.346 1.993 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(C(=O)OC)s1 ZINC000490821231 261215207 /nfs/dbraw/zinc/21/52/07/261215207.db2.gz RLRZUJMFNXBBPE-UHFFFAOYSA-N 1 2 261.346 1.993 20 30 CDEDLO C#CCN(CC#N)C(=O)[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000490994584 261284536 /nfs/dbraw/zinc/28/45/36/261284536.db2.gz DKOWUNGQRFODPA-OAHLLOKOSA-N 1 2 291.395 1.109 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1cnn(C)c1 ZINC000491763901 262014869 /nfs/dbraw/zinc/01/48/69/262014869.db2.gz BAUHUEDFZMVFIX-YPMHNXCESA-N 1 2 274.368 1.241 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1cnn(C)c1 ZINC000491763901 262014870 /nfs/dbraw/zinc/01/48/70/262014870.db2.gz BAUHUEDFZMVFIX-YPMHNXCESA-N 1 2 274.368 1.241 20 30 CDEDLO NC(COc1ccccc1F)=[NH+]OCCOCC(F)F ZINC000189378852 262171109 /nfs/dbraw/zinc/17/11/09/262171109.db2.gz LJOPTFGMDUKKMF-UHFFFAOYSA-N 1 2 292.257 1.775 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)NC(CC)CC)C1=O ZINC000337220901 262436401 /nfs/dbraw/zinc/43/64/01/262436401.db2.gz KWIXGDDVDDSYJT-GXTWGEPZSA-N 1 2 295.427 1.398 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)NC(CC)CC)C1=O ZINC000337220901 262436404 /nfs/dbraw/zinc/43/64/04/262436404.db2.gz KWIXGDDVDDSYJT-GXTWGEPZSA-N 1 2 295.427 1.398 20 30 CDEDLO Oc1cccc(/C=N/CC2([NH+]3CCOCC3)CC2)c1O ZINC000277530170 263041718 /nfs/dbraw/zinc/04/17/18/263041718.db2.gz OSEODJRWSRJNQA-MHWRWJLKSA-N 1 2 276.336 1.382 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)O[NH+]=C(N)[C@@H]1CCCO1 ZINC000284474637 263087240 /nfs/dbraw/zinc/08/72/40/263087240.db2.gz RLGCBLBDRORWRR-RYUDHWBXSA-N 1 2 281.356 1.043 20 30 CDEDLO Oc1cccc(/C=[NH+]/CCC2(O)CCOCC2)c1O ZINC000285340631 263092401 /nfs/dbraw/zinc/09/24/01/263092401.db2.gz MDUBIEITUMUTLY-XNTDXEJSSA-N 1 2 265.309 1.448 20 30 CDEDLO Cc1ccc(C(N)=[NH+]OCc2cnnn2C)cc1F ZINC000289398706 263110020 /nfs/dbraw/zinc/11/00/20/263110020.db2.gz NRCSWWVJPZDOKR-UHFFFAOYSA-N 1 2 263.276 1.100 20 30 CDEDLO COCC1(C#N)CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000342001498 263375186 /nfs/dbraw/zinc/37/51/86/263375186.db2.gz WUJJVBNIKPWGTJ-CQSZACIVSA-N 1 2 287.363 1.465 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000330732436 264037279 /nfs/dbraw/zinc/03/72/79/264037279.db2.gz JMOSIGIZGTYGTB-GFCCVEGCSA-N 1 2 285.388 1.174 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000330732436 264037281 /nfs/dbraw/zinc/03/72/81/264037281.db2.gz JMOSIGIZGTYGTB-GFCCVEGCSA-N 1 2 285.388 1.174 20 30 CDEDLO C[C@H](O)CN1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000331133639 264133985 /nfs/dbraw/zinc/13/39/85/264133985.db2.gz BUYRQXYWJDIPLL-AWEZNQCLSA-N 1 2 273.380 1.251 20 30 CDEDLO Cc1cccc(C(=O)NC(C)(C)C[NH+]2CCOCC2)n1 ZINC000331342045 264195303 /nfs/dbraw/zinc/19/53/03/264195303.db2.gz KNKGRAHVTARAEG-UHFFFAOYSA-N 1 2 277.368 1.805 20 30 CDEDLO CC(C)([NH2+]CCC#N)C(=O)NCC1CCCCC1 ZINC000331358895 264209046 /nfs/dbraw/zinc/20/90/46/264209046.db2.gz VTTNJUVJRCFROF-UHFFFAOYSA-N 1 2 251.374 1.965 20 30 CDEDLO C=CCCn1cc(C[NH+]2CCC(CNC(C)=O)CC2)nn1 ZINC000653505883 424224269 /nfs/dbraw/zinc/22/42/69/424224269.db2.gz BPVNZFAZAYIEQK-UHFFFAOYSA-N 1 2 291.399 1.202 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCc3ccc(F)cc3C2)CCC1 ZINC000525886305 265035017 /nfs/dbraw/zinc/03/50/17/265035017.db2.gz ZLKDUJMZHDOUQW-UHFFFAOYSA-N 1 2 287.338 1.746 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCc3ccc(F)cc3C2)CCC1 ZINC000525886305 265035019 /nfs/dbraw/zinc/03/50/19/265035019.db2.gz ZLKDUJMZHDOUQW-UHFFFAOYSA-N 1 2 287.338 1.746 20 30 CDEDLO C=C[C@@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000356847670 266189237 /nfs/dbraw/zinc/18/92/37/266189237.db2.gz LIYHJSZIHQGVEG-LBPRGKRZSA-N 1 2 257.293 1.149 20 30 CDEDLO NS(=O)(=O)[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000357394590 266289638 /nfs/dbraw/zinc/28/96/38/266289638.db2.gz WNFKLYBKBUBEAA-ZDUSSCGKSA-N 1 2 298.795 1.054 20 30 CDEDLO NS(=O)(=O)[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000357394590 266289636 /nfs/dbraw/zinc/28/96/36/266289636.db2.gz WNFKLYBKBUBEAA-ZDUSSCGKSA-N 1 2 298.795 1.054 20 30 CDEDLO CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C[C@H](C)C#N ZINC000357469016 266303878 /nfs/dbraw/zinc/30/38/78/266303878.db2.gz DXAAIXSYEDZFKS-TZMCWYRMSA-N 1 2 264.373 1.522 20 30 CDEDLO CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C[C@H](C)C#N ZINC000357469016 266303879 /nfs/dbraw/zinc/30/38/79/266303879.db2.gz DXAAIXSYEDZFKS-TZMCWYRMSA-N 1 2 264.373 1.522 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N(CCC#N)Cc1cccnc1 ZINC000357559985 266325404 /nfs/dbraw/zinc/32/54/04/266325404.db2.gz DVQTXDHDYSARDM-UHFFFAOYSA-N 1 2 297.362 1.690 20 30 CDEDLO C[C@H](C#N)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000357809265 266369969 /nfs/dbraw/zinc/36/99/69/266369969.db2.gz WAGAQCGJENQITA-LLVKDONJSA-N 1 2 258.325 1.458 20 30 CDEDLO N#C[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000117797225 267221255 /nfs/dbraw/zinc/22/12/55/267221255.db2.gz XLPJKEYBPCKQAE-CQSZACIVSA-N 1 2 266.304 1.904 20 30 CDEDLO C[C@@H]1OCC[C@@]12C[N@H+](C[C@@H](C#N)CCC#N)CCO2 ZINC000369398465 267240255 /nfs/dbraw/zinc/24/02/55/267240255.db2.gz NUFMSQVLNCREBV-BFHYXJOUSA-N 1 2 263.341 1.310 20 30 CDEDLO C[C@@H]1OCC[C@@]12C[N@@H+](C[C@@H](C#N)CCC#N)CCO2 ZINC000369398465 267240259 /nfs/dbraw/zinc/24/02/59/267240259.db2.gz NUFMSQVLNCREBV-BFHYXJOUSA-N 1 2 263.341 1.310 20 30 CDEDLO CC(=O)Nc1nc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cs1 ZINC000330268112 278162284 /nfs/dbraw/zinc/16/22/84/278162284.db2.gz IMAIIOXFAFLCOV-NEPJUHHUSA-N 1 2 296.396 1.266 20 30 CDEDLO CC(=O)Nc1nc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cs1 ZINC000330268112 278162285 /nfs/dbraw/zinc/16/22/85/278162285.db2.gz IMAIIOXFAFLCOV-NEPJUHHUSA-N 1 2 296.396 1.266 20 30 CDEDLO C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H](C)S1=O ZINC000336089623 288215874 /nfs/dbraw/zinc/21/58/74/288215874.db2.gz DORLPUCLBSGHKU-VXGBXAGGSA-N 1 2 262.378 1.900 20 30 CDEDLO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000456369695 288284058 /nfs/dbraw/zinc/28/40/58/288284058.db2.gz FVPBGLSGPXFWJV-AWEZNQCLSA-N 1 2 287.363 1.820 20 30 CDEDLO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000456369695 288284059 /nfs/dbraw/zinc/28/40/59/288284059.db2.gz FVPBGLSGPXFWJV-AWEZNQCLSA-N 1 2 287.363 1.820 20 30 CDEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCOCC23CC3)cc1 ZINC000555068858 290202409 /nfs/dbraw/zinc/20/24/09/290202409.db2.gz KXKJXXHDOZAVIQ-AWEZNQCLSA-N 1 2 288.347 1.163 20 30 CDEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCOCC23CC3)cc1 ZINC000555068858 290202410 /nfs/dbraw/zinc/20/24/10/290202410.db2.gz KXKJXXHDOZAVIQ-AWEZNQCLSA-N 1 2 288.347 1.163 20 30 CDEDLO N#Cc1cnn2cc(CNc3cccc[nH+]3)cnc12 ZINC000559256479 290441759 /nfs/dbraw/zinc/44/17/59/290441759.db2.gz XRVHUVMOHLBKHK-UHFFFAOYSA-N 1 2 250.265 1.608 20 30 CDEDLO Cc1cc(NC(=O)c2cnccc2C#N)c(C)c[nH+]1 ZINC000561778288 293102701 /nfs/dbraw/zinc/10/27/01/293102701.db2.gz SYQCPDJVHTYXTO-UHFFFAOYSA-N 1 2 252.277 1.639 20 30 CDEDLO Cc1n[nH]c(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000329126814 293255742 /nfs/dbraw/zinc/25/57/42/293255742.db2.gz YRFPHTPCXWJTKI-AOOOYVTPSA-N 1 2 265.361 1.485 20 30 CDEDLO Cc1n[nH]c(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000329126814 293255743 /nfs/dbraw/zinc/25/57/43/293255743.db2.gz YRFPHTPCXWJTKI-AOOOYVTPSA-N 1 2 265.361 1.485 20 30 CDEDLO C[C@H](C(=O)N1CCCC(C)(C)[C@H]1C#N)[NH+]1CCSCC1 ZINC000336143273 298011521 /nfs/dbraw/zinc/01/15/21/298011521.db2.gz VNWNEGAHTJSIKQ-CHWSQXEVSA-N 1 2 295.452 1.964 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC(C)(C)O1 ZINC000049177311 300241082 /nfs/dbraw/zinc/24/10/82/300241082.db2.gz KCBCGJSESXUCCA-NHYWBVRUSA-N 1 2 279.384 1.294 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC(C)(C)O1 ZINC000049177311 300241084 /nfs/dbraw/zinc/24/10/84/300241084.db2.gz KCBCGJSESXUCCA-NHYWBVRUSA-N 1 2 279.384 1.294 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1cc(F)c(F)cc1F ZINC000567995518 328001630 /nfs/dbraw/zinc/00/16/30/328001630.db2.gz MTIWPEARJOTLQK-CQSZACIVSA-N 1 2 299.296 1.606 20 30 CDEDLO Cc1csc(NC(=O)NCCn2cc[nH+]c2)c1C#N ZINC000569564369 316801859 /nfs/dbraw/zinc/80/18/59/316801859.db2.gz NJOJCUDUYCAIND-UHFFFAOYSA-N 1 2 275.337 1.946 20 30 CDEDLO COC(=O)c1cccc(OCC(N)=[NH+]OC[C@H](C)OC)c1 ZINC000272907639 328201380 /nfs/dbraw/zinc/20/13/80/328201380.db2.gz NHOFDAHZBSNCQU-JTQLQIEISA-N 1 2 296.323 1.176 20 30 CDEDLO C=C1CC[NH+](CC(=O)NC(=O)NCCCC)CC1 ZINC000330711806 328469061 /nfs/dbraw/zinc/46/90/61/328469061.db2.gz VAFVUHPXOMHKKX-UHFFFAOYSA-N 1 2 253.346 1.469 20 30 CDEDLO CC1CC(C#N)(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000533754402 326925778 /nfs/dbraw/zinc/92/57/78/326925778.db2.gz OPIYIGFZOQVSSH-AVERBVTBSA-N 1 2 272.352 1.676 20 30 CDEDLO COc1cc(C[N@@H+]2CC[C@H](NCCC#N)C2)cc(OC)c1 ZINC000569450265 327178446 /nfs/dbraw/zinc/17/84/46/327178446.db2.gz XQENDWZZQQDHCL-AWEZNQCLSA-N 1 2 289.379 1.781 20 30 CDEDLO COc1cc(C[N@H+]2CC[C@H](NCCC#N)C2)cc(OC)c1 ZINC000569450265 327178448 /nfs/dbraw/zinc/17/84/48/327178448.db2.gz XQENDWZZQQDHCL-AWEZNQCLSA-N 1 2 289.379 1.781 20 30 CDEDLO CCSc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cn1 ZINC000583068104 329309954 /nfs/dbraw/zinc/30/99/54/329309954.db2.gz STDHMSASJSHYOB-CQSZACIVSA-N 1 2 292.408 1.767 20 30 CDEDLO C=C(C)COCCNC(=O)NCCCNc1cccc[nH+]1 ZINC000134989854 329662370 /nfs/dbraw/zinc/66/23/70/329662370.db2.gz ABASNBXIUVPRMQ-UHFFFAOYSA-N 1 2 292.383 1.776 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCC1CCCC1 ZINC000572069019 329940851 /nfs/dbraw/zinc/94/08/51/329940851.db2.gz HKQAGWCYULXHMO-AWEZNQCLSA-N 1 2 251.374 1.917 20 30 CDEDLO C=CCn1nnnc1SCCc1cc[nH+]cc1C ZINC000421847342 330095319 /nfs/dbraw/zinc/09/53/19/330095319.db2.gz XDJYBOYNSACZOH-UHFFFAOYSA-N 1 2 261.354 1.897 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccncc2Cl)nn1 ZINC000527722368 330277296 /nfs/dbraw/zinc/27/72/96/330277296.db2.gz VNFGXRLOCUFGID-UHFFFAOYSA-N 1 2 263.732 1.802 20 30 CDEDLO COC(=O)[C@H](CS)Nc1ccc([NH+](C)C)c(C)c1 ZINC001167623367 1159167929 /nfs/dbraw/zinc/16/79/29/1159167929.db2.gz MJIVDIGLXDAGQO-NSHDSACASA-N 1 2 268.382 1.944 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc(CC(C)C)no1 ZINC000451600610 331035855 /nfs/dbraw/zinc/03/58/55/331035855.db2.gz RPBFAUPSYNLVCO-MNOVXSKESA-N 1 2 251.330 1.701 20 30 CDEDLO N#CCc1ccc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000456194693 331186375 /nfs/dbraw/zinc/18/63/75/331186375.db2.gz ARZXRNPSYKNUOD-IYBDPMFKSA-N 1 2 299.374 1.346 20 30 CDEDLO N#CCc1ccc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000456194693 331186376 /nfs/dbraw/zinc/18/63/76/331186376.db2.gz ARZXRNPSYKNUOD-IYBDPMFKSA-N 1 2 299.374 1.346 20 30 CDEDLO C=C[C@](C)(O)CC(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457318159 331218930 /nfs/dbraw/zinc/21/89/30/331218930.db2.gz TWABPXWXIFXRBE-LBPRGKRZSA-N 1 2 269.370 1.470 20 30 CDEDLO C#CC[N@@H+](CC#CC)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000490715171 332107737 /nfs/dbraw/zinc/10/77/37/332107737.db2.gz UQUGCCIBSLIKAE-INIZCTEOSA-N 1 2 282.343 1.970 20 30 CDEDLO C#CC[N@H+](CC#CC)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000490715171 332107738 /nfs/dbraw/zinc/10/77/38/332107738.db2.gz UQUGCCIBSLIKAE-INIZCTEOSA-N 1 2 282.343 1.970 20 30 CDEDLO C#C[C@@H](CC)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000490739637 332110525 /nfs/dbraw/zinc/11/05/25/332110525.db2.gz JSDIUHMJPQYRLS-JSGCOSHPSA-N 1 2 264.369 1.158 20 30 CDEDLO C#C[C@@H](CC)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000490739637 332110526 /nfs/dbraw/zinc/11/05/26/332110526.db2.gz JSDIUHMJPQYRLS-JSGCOSHPSA-N 1 2 264.369 1.158 20 30 CDEDLO C#CC[N@@H+](CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 ZINC000490850498 332120236 /nfs/dbraw/zinc/12/02/36/332120236.db2.gz BGWHABZZTYHVDT-LBPRGKRZSA-N 1 2 298.433 1.116 20 30 CDEDLO C#CC[N@H+](CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 ZINC000490850498 332120237 /nfs/dbraw/zinc/12/02/37/332120237.db2.gz BGWHABZZTYHVDT-LBPRGKRZSA-N 1 2 298.433 1.116 20 30 CDEDLO C#CCNC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000491125789 332153664 /nfs/dbraw/zinc/15/36/64/332153664.db2.gz HCITYQBKAKDWEE-QMMMGPOBSA-N 1 2 259.231 1.206 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000491307110 332186665 /nfs/dbraw/zinc/18/66/65/332186665.db2.gz PEFWMZKORZATMR-LBPRGKRZSA-N 1 2 274.368 1.425 20 30 CDEDLO C#C[C@H]([NH2+]Cc1cnnn1CC)c1ccc(F)cc1 ZINC000491384315 332201900 /nfs/dbraw/zinc/20/19/00/332201900.db2.gz OLCWJDMOHJQUAR-AWEZNQCLSA-N 1 2 258.300 1.901 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cc1cccc(S(C)(=O)=O)c1 ZINC000491484573 332219662 /nfs/dbraw/zinc/21/96/62/332219662.db2.gz JKRZIFJMKZIUGX-LLVKDONJSA-N 1 2 251.351 1.544 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cccc(S(C)(=O)=O)c1 ZINC000491484573 332219663 /nfs/dbraw/zinc/21/96/63/332219663.db2.gz JKRZIFJMKZIUGX-LLVKDONJSA-N 1 2 251.351 1.544 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000491513463 332226369 /nfs/dbraw/zinc/22/63/69/332226369.db2.gz CAUFNULPSCZGIK-HIFRSBDPSA-N 1 2 272.348 1.961 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000491513463 332226370 /nfs/dbraw/zinc/22/63/70/332226370.db2.gz CAUFNULPSCZGIK-HIFRSBDPSA-N 1 2 272.348 1.961 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cccc2nsnc21 ZINC000491538018 332232931 /nfs/dbraw/zinc/23/29/31/332232931.db2.gz WDKZVVUPUVQZCO-VIFPVBQESA-N 1 2 274.349 1.583 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cccc2nsnc21 ZINC000491538018 332232932 /nfs/dbraw/zinc/23/29/32/332232932.db2.gz WDKZVVUPUVQZCO-VIFPVBQESA-N 1 2 274.349 1.583 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](O)COCc1ccccc1F ZINC000491624415 332248771 /nfs/dbraw/zinc/24/87/71/332248771.db2.gz GYXKLWMCVAGERY-CABCVRRESA-N 1 2 293.338 1.037 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](O)COCc1ccccc1F ZINC000491624415 332248772 /nfs/dbraw/zinc/24/87/72/332248772.db2.gz GYXKLWMCVAGERY-CABCVRRESA-N 1 2 293.338 1.037 20 30 CDEDLO C#CCN(C)C(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000491635336 332256488 /nfs/dbraw/zinc/25/64/88/332256488.db2.gz WEYXAWBTBBHUTE-UHFFFAOYSA-N 1 2 293.370 1.928 20 30 CDEDLO C#CCN(C)C(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000491635336 332256489 /nfs/dbraw/zinc/25/64/89/332256489.db2.gz WEYXAWBTBBHUTE-UHFFFAOYSA-N 1 2 293.370 1.928 20 30 CDEDLO C#CC[N@@H+](CC(=O)N1CCC(c2ccccc2)=N1)C1CC1 ZINC000491656079 332267949 /nfs/dbraw/zinc/26/79/49/332267949.db2.gz IBMSJUZHKXGYLQ-UHFFFAOYSA-N 1 2 281.359 1.721 20 30 CDEDLO C#CC[N@H+](CC(=O)N1CCC(c2ccccc2)=N1)C1CC1 ZINC000491656079 332267950 /nfs/dbraw/zinc/26/79/50/332267950.db2.gz IBMSJUZHKXGYLQ-UHFFFAOYSA-N 1 2 281.359 1.721 20 30 CDEDLO C#C[C@@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000491662168 332271782 /nfs/dbraw/zinc/27/17/82/332271782.db2.gz LOSXPCLRKXRREJ-VXGBXAGGSA-N 1 2 274.368 1.545 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000491691696 332288313 /nfs/dbraw/zinc/28/83/13/332288313.db2.gz PJBJHJYRTSZRKS-NSHDSACASA-N 1 2 256.309 1.497 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000491736956 332316539 /nfs/dbraw/zinc/31/65/39/332316539.db2.gz DULAEWCSSSYITQ-QWHCGFSZSA-N 1 2 256.349 1.918 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000491736956 332316540 /nfs/dbraw/zinc/31/65/40/332316540.db2.gz DULAEWCSSSYITQ-QWHCGFSZSA-N 1 2 256.349 1.918 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)C(C)(C)C ZINC000491745166 332323034 /nfs/dbraw/zinc/32/30/34/332323034.db2.gz JVZZNJLBZUHXCN-ZDUSSCGKSA-N 1 2 295.427 1.444 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)C(C)(C)C ZINC000491745166 332323035 /nfs/dbraw/zinc/32/30/35/332323035.db2.gz JVZZNJLBZUHXCN-ZDUSSCGKSA-N 1 2 295.427 1.444 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000491775123 332341040 /nfs/dbraw/zinc/34/10/40/332341040.db2.gz USBNWDXWEWAVRQ-JTQLQIEISA-N 1 2 299.330 1.576 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000491775123 332341041 /nfs/dbraw/zinc/34/10/41/332341041.db2.gz USBNWDXWEWAVRQ-JTQLQIEISA-N 1 2 299.330 1.576 20 30 CDEDLO C#CC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@](C)(F)C1 ZINC000491782891 332346558 /nfs/dbraw/zinc/34/65/58/332346558.db2.gz PSXQICKOOGELMY-CQSZACIVSA-N 1 2 270.348 1.901 20 30 CDEDLO C#CC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@](C)(F)C1 ZINC000491782891 332346559 /nfs/dbraw/zinc/34/65/59/332346559.db2.gz PSXQICKOOGELMY-CQSZACIVSA-N 1 2 270.348 1.901 20 30 CDEDLO CCn1cc[nH+]c1/C=C\C(=O)NC1(C#N)CCCC1 ZINC000492323015 332392518 /nfs/dbraw/zinc/39/25/18/332392518.db2.gz UGQBGKFMTUPDIF-WAYWQWQTSA-N 1 2 258.325 1.869 20 30 CDEDLO CCn1cc[nH+]c1/C=C\C(=O)N(C)CC(C)(C)C#N ZINC000492941161 332419411 /nfs/dbraw/zinc/41/94/11/332419411.db2.gz OHZSJJHPEFKQOT-SREVYHEPSA-N 1 2 260.341 1.924 20 30 CDEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@](C)(C#N)CCOC ZINC000493010563 332422514 /nfs/dbraw/zinc/42/25/14/332422514.db2.gz YMLGELWERXAJGL-VBROQKIQSA-N 1 2 276.340 1.351 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1ccc(F)cc1F ZINC000521631950 333180361 /nfs/dbraw/zinc/18/03/61/333180361.db2.gz PDDWZPWQABAFMV-HNNXBMFYSA-N 1 2 295.333 1.857 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000192223580 333232551 /nfs/dbraw/zinc/23/25/51/333232551.db2.gz QPTJMHNIVOHBOL-CYBMUJFWSA-N 1 2 299.374 1.705 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000192223580 333232552 /nfs/dbraw/zinc/23/25/52/333232552.db2.gz QPTJMHNIVOHBOL-CYBMUJFWSA-N 1 2 299.374 1.705 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000192226562 333233156 /nfs/dbraw/zinc/23/31/56/333233156.db2.gz RMUCBRLEYRAYHD-UHFFFAOYSA-N 1 2 277.324 1.939 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000192226562 333233158 /nfs/dbraw/zinc/23/31/58/333233158.db2.gz RMUCBRLEYRAYHD-UHFFFAOYSA-N 1 2 277.324 1.939 20 30 CDEDLO C#CC[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000192239441 333233758 /nfs/dbraw/zinc/23/37/58/333233758.db2.gz VCBNUBZUDGYBJS-ZDUSSCGKSA-N 1 2 273.292 1.265 20 30 CDEDLO C#CC[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000192239441 333233760 /nfs/dbraw/zinc/23/37/60/333233760.db2.gz VCBNUBZUDGYBJS-ZDUSSCGKSA-N 1 2 273.292 1.265 20 30 CDEDLO CC[C@@]1(C)C[N@H+](CC(=O)N(CCC#N)CCC#N)CCO1 ZINC000135644542 334135102 /nfs/dbraw/zinc/13/51/02/334135102.db2.gz XKWPPZCLQQXOEU-HNNXBMFYSA-N 1 2 292.383 1.143 20 30 CDEDLO CC[C@@]1(C)C[N@@H+](CC(=O)N(CCC#N)CCC#N)CCO1 ZINC000135644542 334135104 /nfs/dbraw/zinc/13/51/04/334135104.db2.gz XKWPPZCLQQXOEU-HNNXBMFYSA-N 1 2 292.383 1.143 20 30 CDEDLO CCOC(=O)N[C@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000249715539 334339330 /nfs/dbraw/zinc/33/93/30/334339330.db2.gz IBRPHKFASZVULH-OLZOCXBDSA-N 1 2 278.356 1.640 20 30 CDEDLO CCOC(=O)N[C@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000249715539 334339331 /nfs/dbraw/zinc/33/93/31/334339331.db2.gz IBRPHKFASZVULH-OLZOCXBDSA-N 1 2 278.356 1.640 20 30 CDEDLO COC[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H](C)O1 ZINC000251924020 334371917 /nfs/dbraw/zinc/37/19/17/334371917.db2.gz SPKPBCCYADHOGA-BBRMVZONSA-N 1 2 277.339 1.913 20 30 CDEDLO COC[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H](C)O1 ZINC000251924020 334371918 /nfs/dbraw/zinc/37/19/18/334371918.db2.gz SPKPBCCYADHOGA-BBRMVZONSA-N 1 2 277.339 1.913 20 30 CDEDLO Cc1cc(NC(=O)C[C@H](C)n2cc[nH+]c2)n(CCC#N)n1 ZINC000564661079 334515626 /nfs/dbraw/zinc/51/56/26/334515626.db2.gz PBGSLFQXKSUNOZ-LBPRGKRZSA-N 1 2 286.339 1.892 20 30 CDEDLO COc1ccc(OCC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000576947307 335267906 /nfs/dbraw/zinc/26/79/06/335267906.db2.gz NARBZJHJFYEHCJ-OAHLLOKOSA-N 1 2 291.351 1.034 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2CC2(C#N)CCC2)O1 ZINC000577459735 335354539 /nfs/dbraw/zinc/35/45/39/335354539.db2.gz XLCWLDTUYVNCPW-MQYQWHSLSA-N 1 2 292.379 1.864 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2CC2(C#N)CCC2)O1 ZINC000577459735 335354540 /nfs/dbraw/zinc/35/45/40/335354540.db2.gz XLCWLDTUYVNCPW-MQYQWHSLSA-N 1 2 292.379 1.864 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccnn1CC)C1CC1 ZINC001481167024 1159545613 /nfs/dbraw/zinc/54/56/13/1159545613.db2.gz YQOBPQPFTVTOFC-UHFFFAOYSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccnn1CC)C1CC1 ZINC001481167024 1159545617 /nfs/dbraw/zinc/54/56/17/1159545617.db2.gz YQOBPQPFTVTOFC-UHFFFAOYSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)C(C)(C)CCOC)C1 ZINC001755337724 1159837035 /nfs/dbraw/zinc/83/70/35/1159837035.db2.gz RIURYJQXRIOJMY-UHFFFAOYSA-N 1 2 298.427 1.178 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(c2ccncn2)CC1 ZINC000591041293 482443911 /nfs/dbraw/zinc/44/39/11/482443911.db2.gz YEKROHSFZMAKNS-CYBMUJFWSA-N 1 2 261.325 1.384 20 30 CDEDLO C=CCCOCC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000677362782 482641127 /nfs/dbraw/zinc/64/11/27/482641127.db2.gz UJPUCDJYTHZKBI-LBPRGKRZSA-N 1 2 263.341 1.329 20 30 CDEDLO COCC#CC[NH+]1CCN(c2nccc(C(C)C)n2)CC1 ZINC000681034193 482663286 /nfs/dbraw/zinc/66/32/86/482663286.db2.gz ZXGCBGJYKOUSMP-UHFFFAOYSA-N 1 2 288.395 1.372 20 30 CDEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000677603384 482726686 /nfs/dbraw/zinc/72/66/86/482726686.db2.gz JLMNCZDUZFAEIY-AWEZNQCLSA-N 1 2 286.375 1.952 20 30 CDEDLO CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000300458113 519701243 /nfs/dbraw/zinc/70/12/43/519701243.db2.gz UZVPBJVBHYYVIT-AWEZNQCLSA-N 1 2 261.300 1.408 20 30 CDEDLO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000300458113 519701245 /nfs/dbraw/zinc/70/12/45/519701245.db2.gz UZVPBJVBHYYVIT-AWEZNQCLSA-N 1 2 261.300 1.408 20 30 CDEDLO C=CCCC(=O)N1CCC(OC2C[NH+](CC=C)C2)CC1 ZINC001105696012 1160831977 /nfs/dbraw/zinc/83/19/77/1160831977.db2.gz RIWMUCNZSQBGPE-UHFFFAOYSA-N 1 2 278.396 1.830 20 30 CDEDLO C[C@@H]1C[C@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)CCO1 ZINC000329107073 533897477 /nfs/dbraw/zinc/89/74/77/533897477.db2.gz OYCCSQNMJRAXRY-CHWSQXEVSA-N 1 2 299.415 1.168 20 30 CDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC(C)(C)C#N ZINC000355074417 533904177 /nfs/dbraw/zinc/90/41/77/533904177.db2.gz CQBCIQMVPSXWAF-OLZOCXBDSA-N 1 2 294.399 1.041 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](C)OCC(C)C)CC1 ZINC001112659720 1162048283 /nfs/dbraw/zinc/04/82/83/1162048283.db2.gz NMEHORMWLWWOMS-OAHLLOKOSA-N 1 2 298.427 1.394 20 30 CDEDLO c1ccc(N2CCC(=NN3CCOCC3)CC2)[nH+]c1 ZINC000201872410 1162078917 /nfs/dbraw/zinc/07/89/17/1162078917.db2.gz AKKHXQKHNUSUEW-UHFFFAOYSA-N 1 2 260.341 1.370 20 30 CDEDLO C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1cnn(C)c1 ZINC000329002739 534281250 /nfs/dbraw/zinc/28/12/50/534281250.db2.gz WKGPOHFZNBVUBH-QWRGUYRKSA-N 1 2 273.340 1.897 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001113199845 1162127802 /nfs/dbraw/zinc/12/78/02/1162127802.db2.gz MAHHBBKMWBSZMP-UHFFFAOYSA-N 1 2 280.412 1.769 20 30 CDEDLO C#C[C@H](C)[NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000184692400 518357460 /nfs/dbraw/zinc/35/74/60/518357460.db2.gz ODLFNQPNKBDVPB-IINYFYTJSA-N 1 2 260.312 1.757 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCCc2nc(CC)no2)CC1 ZINC001113633287 1162244965 /nfs/dbraw/zinc/24/49/65/1162244965.db2.gz SBRZOVZNYFXUDD-UHFFFAOYSA-N 1 2 292.383 1.285 20 30 CDEDLO Cn1c(C[NH2+][C@@H]2CCC[C@@H]2C#N)nc2ccccc2c1=O ZINC000332122475 534693226 /nfs/dbraw/zinc/69/32/26/534693226.db2.gz DZBWBLJRBDBULO-DGCLKSJQSA-N 1 2 282.347 1.715 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000333411014 534752039 /nfs/dbraw/zinc/75/20/39/534752039.db2.gz PRTUBFYNPCGDCA-WCQYABFASA-N 1 2 287.367 1.991 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000333411014 534752041 /nfs/dbraw/zinc/75/20/41/534752041.db2.gz PRTUBFYNPCGDCA-WCQYABFASA-N 1 2 287.367 1.991 20 30 CDEDLO O=C(NCc1ccn2cc[nH+]c2c1)C1(O)CCOCC1 ZINC000330094106 534757541 /nfs/dbraw/zinc/75/75/41/534757541.db2.gz SKHYZSVLYNQNNY-UHFFFAOYSA-N 1 2 275.308 1.332 20 30 CDEDLO Cc1nnc(NC(=O)[C@H](C)[NH+]2CCSCC2)n1C1CC1 ZINC000329091996 534868881 /nfs/dbraw/zinc/86/88/81/534868881.db2.gz WZSRAGOYCVVCJN-VIFPVBQESA-N 1 2 295.412 1.947 20 30 CDEDLO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc(C#N)cs2)C[C@H]1C ZINC000245891940 525761235 /nfs/dbraw/zinc/76/12/35/525761235.db2.gz OIAZBUNBFCWGSA-MNOVXSKESA-N 1 2 293.392 1.147 20 30 CDEDLO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc(C#N)cs2)C[C@H]1C ZINC000245891940 525761244 /nfs/dbraw/zinc/76/12/44/525761244.db2.gz OIAZBUNBFCWGSA-MNOVXSKESA-N 1 2 293.392 1.147 20 30 CDEDLO C=CCNC(=O)c1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000351964489 526645415 /nfs/dbraw/zinc/64/54/15/526645415.db2.gz OCBSROLBSLESBJ-UHFFFAOYSA-N 1 2 298.346 1.897 20 30 CDEDLO C=C[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000354835719 527412504 /nfs/dbraw/zinc/41/25/04/527412504.db2.gz ATUMNIOZYAVBEH-YPMHNXCESA-N 1 2 252.358 1.178 20 30 CDEDLO C=C[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000354835719 527412514 /nfs/dbraw/zinc/41/25/14/527412514.db2.gz ATUMNIOZYAVBEH-YPMHNXCESA-N 1 2 252.358 1.178 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000333857289 527511692 /nfs/dbraw/zinc/51/16/92/527511692.db2.gz QVCCMCRUCVDGDK-KFWWJZLASA-N 1 2 294.395 1.090 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000333857289 527511698 /nfs/dbraw/zinc/51/16/98/527511698.db2.gz QVCCMCRUCVDGDK-KFWWJZLASA-N 1 2 294.395 1.090 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000350627795 527930181 /nfs/dbraw/zinc/93/01/81/527930181.db2.gz GEOCDPRFYDRYOA-IPYPFGDCSA-N 1 2 279.384 1.294 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000350627795 527930184 /nfs/dbraw/zinc/93/01/84/527930184.db2.gz GEOCDPRFYDRYOA-IPYPFGDCSA-N 1 2 279.384 1.294 20 30 CDEDLO CC(=O)Nc1nc(CN2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cs1 ZINC000330268117 528748404 /nfs/dbraw/zinc/74/84/04/528748404.db2.gz IMAIIOXFAFLCOV-RYUDHWBXSA-N 1 2 296.396 1.266 20 30 CDEDLO CC(=O)Nc1nc(CN2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cs1 ZINC000330268117 528748408 /nfs/dbraw/zinc/74/84/08/528748408.db2.gz IMAIIOXFAFLCOV-RYUDHWBXSA-N 1 2 296.396 1.266 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000352279918 529351492 /nfs/dbraw/zinc/35/14/92/529351492.db2.gz FUBGFQLJQTXPRX-YRGRVCCFSA-N 1 2 267.373 1.152 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CCC(=O)NC1(C)C ZINC000328761697 538394465 /nfs/dbraw/zinc/39/44/65/538394465.db2.gz YNFHVSGGBNSCSE-MNOVXSKESA-N 1 2 293.371 1.673 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC([O-])=[NH+][C@H]1CCC(=O)NC1(C)C ZINC000328761697 538394470 /nfs/dbraw/zinc/39/44/70/538394470.db2.gz YNFHVSGGBNSCSE-MNOVXSKESA-N 1 2 293.371 1.673 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N[C@H]1CCC(=O)NC1(C)C ZINC000328761697 538394475 /nfs/dbraw/zinc/39/44/75/538394475.db2.gz YNFHVSGGBNSCSE-MNOVXSKESA-N 1 2 293.371 1.673 20 30 CDEDLO O=C(N[C@@H]1COc2ccccc2C1)N1CCn2cc[nH+]c2C1 ZINC000329850658 538697207 /nfs/dbraw/zinc/69/72/07/538697207.db2.gz QGVHDGYGWSYXKB-ZDUSSCGKSA-N 1 2 298.346 1.616 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)C[C@H]2OC(=O)c3ccccc32)CC1 ZINC000744425606 574446348 /nfs/dbraw/zinc/44/63/48/574446348.db2.gz VEGBLZLTNSTRLD-OAHLLOKOSA-N 1 2 298.342 1.066 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)nc1 ZINC000728859575 574661027 /nfs/dbraw/zinc/66/10/27/574661027.db2.gz SBKXTDWJNGCXHM-LLVKDONJSA-N 1 2 254.293 1.078 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCCSc1ccccc1 ZINC000730095598 574848510 /nfs/dbraw/zinc/84/85/10/574848510.db2.gz AIMXMAZCOQDDPK-HNNXBMFYSA-N 1 2 288.416 1.993 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCSc1ccccc1 ZINC000730095598 574848512 /nfs/dbraw/zinc/84/85/12/574848512.db2.gz AIMXMAZCOQDDPK-HNNXBMFYSA-N 1 2 288.416 1.993 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(N)=O)c(C)c1 ZINC000730284754 574910245 /nfs/dbraw/zinc/91/02/45/574910245.db2.gz CGCMNUXEHIUHNN-AWEZNQCLSA-N 1 2 285.347 1.130 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(N)=O)c(C)c1 ZINC000730284754 574910247 /nfs/dbraw/zinc/91/02/47/574910247.db2.gz CGCMNUXEHIUHNN-AWEZNQCLSA-N 1 2 285.347 1.130 20 30 CDEDLO C=C(C)[C@@H](CC(=O)OCCn1cc[nH+]c1)OCC ZINC000772029742 575651829 /nfs/dbraw/zinc/65/18/29/575651829.db2.gz BVCHABXTVFWWJN-GFCCVEGCSA-N 1 2 252.314 1.798 20 30 CDEDLO C#CCC[NH+]1CCN(S(=O)(=O)C[C@@H](C)CC)CC1 ZINC000733314111 575114342 /nfs/dbraw/zinc/11/43/42/575114342.db2.gz JXEVCBGUGQPRNF-ZDUSSCGKSA-N 1 2 272.414 1.003 20 30 CDEDLO CC#CCNC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000762564395 576653902 /nfs/dbraw/zinc/65/39/02/576653902.db2.gz QKGVIZBJJWFBRH-UHFFFAOYSA-N 1 2 261.325 1.530 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)C(C)(C)C)CC1 ZINC000735940161 575533514 /nfs/dbraw/zinc/53/35/14/575533514.db2.gz MTKQKVNJEIHMHP-UHFFFAOYSA-N 1 2 265.353 1.490 20 30 CDEDLO C#CCCCCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000773303113 575799331 /nfs/dbraw/zinc/79/93/31/575799331.db2.gz RSBKYEBTPKFKSR-CYBMUJFWSA-N 1 2 252.358 1.017 20 30 CDEDLO C#CCCCCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000773303113 575799333 /nfs/dbraw/zinc/79/93/33/575799333.db2.gz RSBKYEBTPKFKSR-CYBMUJFWSA-N 1 2 252.358 1.017 20 30 CDEDLO C=C(CC)C[NH+]1CCN(S(=O)(=O)N(CC)CC)CC1 ZINC000773407669 575807983 /nfs/dbraw/zinc/80/79/83/575807983.db2.gz BJKASIMAOAZHPI-UHFFFAOYSA-N 1 2 289.445 1.157 20 30 CDEDLO Cn1cccc1C[N@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766630923 576117077 /nfs/dbraw/zinc/11/70/77/576117077.db2.gz BUIOHLBTTRUYQZ-UHFFFAOYSA-N 1 2 296.374 1.637 20 30 CDEDLO Cn1cccc1C[N@@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766630923 576117078 /nfs/dbraw/zinc/11/70/78/576117078.db2.gz BUIOHLBTTRUYQZ-UHFFFAOYSA-N 1 2 296.374 1.637 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cn1 ZINC000768142646 576260783 /nfs/dbraw/zinc/26/07/83/576260783.db2.gz JSLIULIYQQJRIU-AWEZNQCLSA-N 1 2 294.358 1.816 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)[C@H](C)COc2ccccc2)CC1 ZINC000760584583 576495289 /nfs/dbraw/zinc/49/52/89/576495289.db2.gz IVBAVRUXTAQXNB-OAHLLOKOSA-N 1 2 286.375 1.479 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2cccc([C@H]3CCOC3)c2)CC1 ZINC000761743355 576591292 /nfs/dbraw/zinc/59/12/92/576591292.db2.gz SCTJZBKUKYHLIS-KRWDZBQOSA-N 1 2 298.386 1.582 20 30 CDEDLO C[C@H]1CC(=NC(=O)c2ccnc(-n3cc[nH+]c3)c2)NO1 ZINC000763261461 576727480 /nfs/dbraw/zinc/72/74/80/576727480.db2.gz XGEIUQFUUSGJLS-VIFPVBQESA-N 1 2 271.280 1.119 20 30 CDEDLO C[C@H]1CC(NC(=O)c2ccnc(-n3cc[nH+]c3)c2)=NO1 ZINC000763261461 576727482 /nfs/dbraw/zinc/72/74/82/576727482.db2.gz XGEIUQFUUSGJLS-VIFPVBQESA-N 1 2 271.280 1.119 20 30 CDEDLO C#CC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000753907919 576865548 /nfs/dbraw/zinc/86/55/48/576865548.db2.gz RXHYXKHMFUPNJV-UHFFFAOYSA-N 1 2 272.348 1.363 20 30 CDEDLO COc1c(C)c[nH+]c(CNC(=O)c2cc(C#N)c[nH]2)c1C ZINC000748299495 576904177 /nfs/dbraw/zinc/90/41/77/576904177.db2.gz BCBQEBIYDATNDU-UHFFFAOYSA-N 1 2 284.319 1.837 20 30 CDEDLO C#CCNC(=O)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000754856059 576919086 /nfs/dbraw/zinc/91/90/86/576919086.db2.gz AZJVIYABHDSEIQ-LBPRGKRZSA-N 1 2 283.331 1.742 20 30 CDEDLO Cc1cccc2[nH+]cc(CN=Nc3cccnn3)n21 ZINC000755734693 576958091 /nfs/dbraw/zinc/95/80/91/576958091.db2.gz ZCRGKHLFFWRZGE-UHFFFAOYSA-N 1 2 252.281 1.879 20 30 CDEDLO CCN(CC)c1ccnc(N=NCc2[nH]c[nH+]c2C)n1 ZINC000755772133 576960196 /nfs/dbraw/zinc/96/01/96/576960196.db2.gz CMFBOEZFJWFZJQ-UHFFFAOYSA-N 1 2 273.344 1.800 20 30 CDEDLO CC[C@@H](C)NC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000749787768 576962145 /nfs/dbraw/zinc/96/21/45/576962145.db2.gz YEXKHGVVZUNHRF-NXEZZACHSA-N 1 2 281.331 1.766 20 30 CDEDLO N#Cc1cccn(C[N@@H+]2CCOCC3(CCC3)C2)c1=O ZINC000758973709 577144711 /nfs/dbraw/zinc/14/47/11/577144711.db2.gz LTJDZRMNQGJCGI-UHFFFAOYSA-N 1 2 273.336 1.180 20 30 CDEDLO N#Cc1cccn(C[N@H+]2CCOCC3(CCC3)C2)c1=O ZINC000758973709 577144714 /nfs/dbraw/zinc/14/47/14/577144714.db2.gz LTJDZRMNQGJCGI-UHFFFAOYSA-N 1 2 273.336 1.180 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000823920099 608068000 /nfs/dbraw/zinc/06/80/00/608068000.db2.gz XAHCLGSYHDENBB-ZDUSSCGKSA-N 1 2 271.324 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000823920099 608068001 /nfs/dbraw/zinc/06/80/01/608068001.db2.gz XAHCLGSYHDENBB-ZDUSSCGKSA-N 1 2 271.324 1.426 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc3occc3[nH]2)C1 ZINC000950443424 612992000 /nfs/dbraw/zinc/99/20/00/612992000.db2.gz PHYWOVUIWDZSRM-UHFFFAOYSA-N 1 2 285.347 1.931 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnn3ccccc23)C1 ZINC000956963133 612993032 /nfs/dbraw/zinc/99/30/32/612993032.db2.gz UJDJUOXFWPNRCH-UHFFFAOYSA-N 1 2 296.374 1.504 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2coc(CCC)n2)C1 ZINC000957132504 612993040 /nfs/dbraw/zinc/99/30/40/612993040.db2.gz SNOBVAQTSYTCQJ-UHFFFAOYSA-N 1 2 289.379 1.797 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc3ccccc3nn2)CC1 ZINC000949578027 613010918 /nfs/dbraw/zinc/01/09/18/613010918.db2.gz REFSQHOWTKGHIE-UHFFFAOYSA-N 1 2 294.358 1.411 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CC(C)(C)C3)C2)C1 ZINC000972366813 613212567 /nfs/dbraw/zinc/21/25/67/613212567.db2.gz CLIRVQRAHFBQMW-QGZVFWFLSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CC(C)(C)C3)C2)C1 ZINC000972366813 613212569 /nfs/dbraw/zinc/21/25/69/613212569.db2.gz CLIRVQRAHFBQMW-QGZVFWFLSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2n[nH]c3ccccc32)[C@@H](C)C1 ZINC000944619211 613243348 /nfs/dbraw/zinc/24/33/48/613243348.db2.gz KHDQTSHEFUGWOB-GXTWGEPZSA-N 1 2 296.374 1.636 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2n[nH]c3ccccc32)[C@@H](C)C1 ZINC000944619211 613243350 /nfs/dbraw/zinc/24/33/50/613243350.db2.gz KHDQTSHEFUGWOB-GXTWGEPZSA-N 1 2 296.374 1.636 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC000968669456 613255882 /nfs/dbraw/zinc/25/58/82/613255882.db2.gz NHMCQSPQXSNFKL-GXFFZTMASA-N 1 2 291.420 1.833 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC000968669456 613255884 /nfs/dbraw/zinc/25/58/84/613255884.db2.gz NHMCQSPQXSNFKL-GXFFZTMASA-N 1 2 291.420 1.833 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2scnc2CC)C(C)(C)C1 ZINC000974648887 613285400 /nfs/dbraw/zinc/28/54/00/613285400.db2.gz CIGJKKYJUIBPLS-GFCCVEGCSA-N 1 2 291.420 1.779 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2scnc2CC)C(C)(C)C1 ZINC000974648887 613285403 /nfs/dbraw/zinc/28/54/03/613285403.db2.gz CIGJKKYJUIBPLS-GFCCVEGCSA-N 1 2 291.420 1.779 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC000950944770 613294777 /nfs/dbraw/zinc/29/47/77/613294777.db2.gz AQXXTYIVVMGCTR-CABCVRRESA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnn(CC)n2)C1 ZINC000950023570 613297491 /nfs/dbraw/zinc/29/74/91/613297491.db2.gz LFLNOXJNAJGZNX-UHFFFAOYSA-N 1 2 277.372 1.020 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(CC)n(C)n2)CC1 ZINC000957928908 613320173 /nfs/dbraw/zinc/32/01/73/613320173.db2.gz MYIIQZRQAQHXSD-UHFFFAOYSA-N 1 2 276.384 1.316 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2onc3c2CCCC3)CC1 ZINC000949289821 613322329 /nfs/dbraw/zinc/32/23/29/613322329.db2.gz NUAWXLDUXSPCMZ-UHFFFAOYSA-N 1 2 289.379 1.887 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2c(C)ncn2C)C1 ZINC000969895742 613371718 /nfs/dbraw/zinc/37/17/18/613371718.db2.gz IQMXGZPMHZOHGC-SNVBAGLBSA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccnc(C)n2)C1 ZINC000970892538 613371774 /nfs/dbraw/zinc/37/17/74/613371774.db2.gz QBUIUXRETQDKDK-SNVBAGLBSA-N 1 2 294.786 1.588 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000969525479 613372386 /nfs/dbraw/zinc/37/23/86/613372386.db2.gz CCTNENCGMZJAMF-JTQLQIEISA-N 1 2 292.770 1.689 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1nnc[nH]1 ZINC000969076274 613372740 /nfs/dbraw/zinc/37/27/40/613372740.db2.gz UGYXXNORVDTOAS-LLVKDONJSA-N 1 2 297.790 1.532 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1nnc[nH]1 ZINC000969076274 613372741 /nfs/dbraw/zinc/37/27/41/613372741.db2.gz UGYXXNORVDTOAS-LLVKDONJSA-N 1 2 297.790 1.532 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnn(C)c2)C1 ZINC000965002225 613375585 /nfs/dbraw/zinc/37/55/85/613375585.db2.gz STEGPYYGHPVZAC-MFKMUULPSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnn(C)c2)C1 ZINC000965002225 613375586 /nfs/dbraw/zinc/37/55/86/613375586.db2.gz STEGPYYGHPVZAC-MFKMUULPSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2c[nH]nc2C)C(C)(C)C1 ZINC000974881750 613381109 /nfs/dbraw/zinc/38/11/09/613381109.db2.gz YGXQMOAUZIMROU-LBPRGKRZSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2c[nH]nc2C)C(C)(C)C1 ZINC000974881750 613381110 /nfs/dbraw/zinc/38/11/10/613381110.db2.gz YGXQMOAUZIMROU-LBPRGKRZSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H]2CCOC2)C(C)(C)C1 ZINC000972844385 613381273 /nfs/dbraw/zinc/38/12/73/613381273.db2.gz POPLAZMCYWVLED-RYUDHWBXSA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H]2CCOC2)C(C)(C)C1 ZINC000972844385 613381274 /nfs/dbraw/zinc/38/12/74/613381274.db2.gz POPLAZMCYWVLED-RYUDHWBXSA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000968752598 613385078 /nfs/dbraw/zinc/38/50/78/613385078.db2.gz PYGVJCBMMLISFU-HTQZYQBOSA-N 1 2 288.672 1.830 20 30 CDEDLO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000968752598 613385077 /nfs/dbraw/zinc/38/50/77/613385077.db2.gz PYGVJCBMMLISFU-HTQZYQBOSA-N 1 2 288.672 1.830 20 30 CDEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH2+]Cc3cnsn3)C2)C1 ZINC000969879370 613393901 /nfs/dbraw/zinc/39/39/01/613393901.db2.gz VEVNSIVBFPIEFG-LLVKDONJSA-N 1 2 292.408 1.585 20 30 CDEDLO CC#CCN1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000950962742 613562631 /nfs/dbraw/zinc/56/26/31/613562631.db2.gz XBXQKLPBLVFBHS-CQSZACIVSA-N 1 2 274.368 1.002 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)CC)C2)C1 ZINC000972274189 613570213 /nfs/dbraw/zinc/57/02/13/613570213.db2.gz WZWQMJZSDDPFNV-ZBFHGGJFSA-N 1 2 278.396 1.359 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)CC)C2)C1 ZINC000972274189 613570215 /nfs/dbraw/zinc/57/02/15/613570215.db2.gz WZWQMJZSDDPFNV-ZBFHGGJFSA-N 1 2 278.396 1.359 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)/C=C/C3CC3)C2)C1 ZINC000972314385 613570235 /nfs/dbraw/zinc/57/02/35/613570235.db2.gz CSLJWRNMLMLNMG-LXXRFIIISA-N 1 2 288.391 1.279 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)/C=C/C3CC3)C2)C1 ZINC000972314385 613570238 /nfs/dbraw/zinc/57/02/38/613570238.db2.gz CSLJWRNMLMLNMG-LXXRFIIISA-N 1 2 288.391 1.279 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCCO[C@H]2CC)C1 ZINC000950489535 613655470 /nfs/dbraw/zinc/65/54/70/613655470.db2.gz AIONUPLHSLITLT-GJZGRUSLSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2CCC(OC)CC2)CC1 ZINC000949935267 613707450 /nfs/dbraw/zinc/70/74/50/613707450.db2.gz JOYFPSJVQZLTCP-UHFFFAOYSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@H](C)n2ccc(C)n2)CC1 ZINC000949640694 613708783 /nfs/dbraw/zinc/70/87/83/613708783.db2.gz XIYCIEMUXSBJQU-AWEZNQCLSA-N 1 2 276.384 1.473 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2CCCCN2C(C)=O)CC1 ZINC000951715462 613708818 /nfs/dbraw/zinc/70/88/18/613708818.db2.gz QPQCVVOWESSALW-OAHLLOKOSA-N 1 2 293.411 1.108 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cn2cnc3ccc(C)cc32)CC1 ZINC000949824121 613709771 /nfs/dbraw/zinc/70/97/71/613709771.db2.gz ARFYRQZHKYNWOW-UHFFFAOYSA-N 1 2 298.390 1.675 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cn2cc(C3CC3)cn2)CC1 ZINC000948983954 613709892 /nfs/dbraw/zinc/70/98/92/613709892.db2.gz QFGIWKMOZVGJSB-UHFFFAOYSA-N 1 2 274.368 1.091 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)Cc2ccco2)CC1 ZINC000951695549 613710005 /nfs/dbraw/zinc/71/00/05/613710005.db2.gz BGKGMSPULPFFNA-ZDUSSCGKSA-N 1 2 262.353 1.788 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2csc(COC)n2)CC1 ZINC000957121818 613710052 /nfs/dbraw/zinc/71/00/52/613710052.db2.gz DYHHWZFJDUEEON-UHFFFAOYSA-N 1 2 295.408 1.162 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC000949254511 613711867 /nfs/dbraw/zinc/71/18/67/613711867.db2.gz PMNMSVSYZLLSTH-CHWSQXEVSA-N 1 2 250.386 1.999 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)C)C2)C1 ZINC000972649247 613725240 /nfs/dbraw/zinc/72/52/40/613725240.db2.gz GIVZMBNHRMPMNZ-OAHLLOKOSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)C)C2)C1 ZINC000972649247 613725242 /nfs/dbraw/zinc/72/52/42/613725242.db2.gz GIVZMBNHRMPMNZ-OAHLLOKOSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC=CCC3)C2)C1 ZINC000972257019 613726373 /nfs/dbraw/zinc/72/63/73/613726373.db2.gz RAQOGQXWYACGCN-DOTOQJQBSA-N 1 2 290.407 1.832 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC=CCC3)C2)C1 ZINC000972257019 613726377 /nfs/dbraw/zinc/72/63/77/613726377.db2.gz RAQOGQXWYACGCN-DOTOQJQBSA-N 1 2 290.407 1.832 20 30 CDEDLO C#CC[N@@H+](Cc1nc(=O)n(C)[nH]1)[C@H]1CCCc2ccccc21 ZINC000933418545 617425122 /nfs/dbraw/zinc/42/51/22/617425122.db2.gz LWVWPFJIBDKWCN-HNNXBMFYSA-N 1 2 296.374 1.621 20 30 CDEDLO C#CC[N@H+](Cc1nc(=O)n(C)[nH]1)[C@H]1CCCc2ccccc21 ZINC000933418545 617425125 /nfs/dbraw/zinc/42/51/25/617425125.db2.gz LWVWPFJIBDKWCN-HNNXBMFYSA-N 1 2 296.374 1.621 20 30 CDEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cnon1 ZINC000948974349 613805653 /nfs/dbraw/zinc/80/56/53/613805653.db2.gz FCFWTYDEWFYLPA-HNNXBMFYSA-N 1 2 298.346 1.585 20 30 CDEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cnon1 ZINC000948974349 613805654 /nfs/dbraw/zinc/80/56/54/613805654.db2.gz FCFWTYDEWFYLPA-HNNXBMFYSA-N 1 2 298.346 1.585 20 30 CDEDLO CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC000957992454 614185246 /nfs/dbraw/zinc/18/52/46/614185246.db2.gz OXXWDDDWHGEONN-FICVDOATSA-N 1 2 273.311 1.264 20 30 CDEDLO CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC000957992454 614185247 /nfs/dbraw/zinc/18/52/47/614185247.db2.gz OXXWDDDWHGEONN-FICVDOATSA-N 1 2 273.311 1.264 20 30 CDEDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2csc(C#N)c2)CC1 ZINC000892123286 617493896 /nfs/dbraw/zinc/49/38/96/617493896.db2.gz MJCQDNUHUCRCKR-UHFFFAOYSA-N 1 2 292.408 1.001 20 30 CDEDLO C=C(C)COCCNc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000892927140 617912072 /nfs/dbraw/zinc/91/20/72/617912072.db2.gz AEXXVFRZMSOFQG-LBPRGKRZSA-N 1 2 280.372 1.664 20 30 CDEDLO C=C(C)COCCNc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000892927140 617912081 /nfs/dbraw/zinc/91/20/81/617912081.db2.gz AEXXVFRZMSOFQG-LBPRGKRZSA-N 1 2 280.372 1.664 20 30 CDEDLO C=C[C@@](C)(O)C(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910777093 618498891 /nfs/dbraw/zinc/49/88/91/618498891.db2.gz JBYQSDLXRONOHO-MRXNPFEDSA-N 1 2 286.375 1.410 20 30 CDEDLO C=C[C@@](C)(O)C(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910777093 618498897 /nfs/dbraw/zinc/49/88/97/618498897.db2.gz JBYQSDLXRONOHO-MRXNPFEDSA-N 1 2 286.375 1.410 20 30 CDEDLO C#C[C@@H](C)[NH2+]Cc1cn(C)nc1I ZINC000894738119 619039200 /nfs/dbraw/zinc/03/92/00/619039200.db2.gz NIEUOZDYTIHZNH-SSDOTTSWSA-N 1 2 289.120 1.136 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2ccc(F)c(F)c2F)CCCN1O ZINC000895158075 619374058 /nfs/dbraw/zinc/37/40/58/619374058.db2.gz WHADAMNYHFZIOJ-VIFPVBQESA-N 1 2 274.242 1.574 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CCCN1O ZINC000895162864 619383034 /nfs/dbraw/zinc/38/30/34/619383034.db2.gz OJNAIJOVZYJKLR-SNVBAGLBSA-N 1 2 288.706 1.655 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCCN1O ZINC000895191900 619442382 /nfs/dbraw/zinc/44/23/82/619442382.db2.gz CTJGTYYCMCWHSR-JTQLQIEISA-N 1 2 299.714 1.718 20 30 CDEDLO C#Cc1ccccc1CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896909132 620298892 /nfs/dbraw/zinc/29/88/92/620298892.db2.gz BHNLOFNMASHTKH-UHFFFAOYSA-N 1 2 267.332 1.867 20 30 CDEDLO C#Cc1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000897735065 621109468 /nfs/dbraw/zinc/10/94/68/621109468.db2.gz LGCAVENIJFCBPV-YOEHRIQHSA-N 1 2 298.386 1.603 20 30 CDEDLO C#Cc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000897735063 621110075 /nfs/dbraw/zinc/11/00/75/621110075.db2.gz LGCAVENIJFCBPV-RHSMWYFYSA-N 1 2 298.386 1.603 20 30 CDEDLO C#C[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CCOCC1 ZINC000898977031 622001254 /nfs/dbraw/zinc/00/12/54/622001254.db2.gz FBFHOBAIYYLGDD-CQSZACIVSA-N 1 2 289.379 1.471 20 30 CDEDLO Cn1cc([C@H]2CN(C(=O)CCCCCC#N)CC[NH2+]2)cn1 ZINC000913460429 630489679 /nfs/dbraw/zinc/48/96/79/630489679.db2.gz JJDZNURNQAOASC-CQSZACIVSA-N 1 2 289.383 1.367 20 30 CDEDLO CCCNC(=S)NN=C1CCCc2[nH+]c(N)ccc21 ZINC000834931244 631525886 /nfs/dbraw/zinc/52/58/86/631525886.db2.gz CKLCVCDMADOYSW-UHFFFAOYSA-N 1 2 277.397 1.578 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C#N)C1CCCC1 ZINC000921549029 633073237 /nfs/dbraw/zinc/07/32/37/633073237.db2.gz CMFONSWIQCNASE-MFKMUULPSA-N 1 2 260.341 1.787 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C#N)C1CCCC1 ZINC000921549029 633073239 /nfs/dbraw/zinc/07/32/39/633073239.db2.gz CMFONSWIQCNASE-MFKMUULPSA-N 1 2 260.341 1.787 20 30 CDEDLO N#C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000921626338 633106079 /nfs/dbraw/zinc/10/60/79/633106079.db2.gz AGAJQGDFJYXKHG-UONOGXRCSA-N 1 2 299.378 1.605 20 30 CDEDLO C#Cc1cncc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000806786641 1162707450 /nfs/dbraw/zinc/70/74/50/1162707450.db2.gz RIXUIOBXSJBLHI-OAHLLOKOSA-N 1 2 280.331 1.737 20 30 CDEDLO Cc1nc(N(C)C[C@H]2CCCN2C(=O)C#CC2CC2)cc[nH+]1 ZINC001067760596 1159370407 /nfs/dbraw/zinc/37/04/07/1159370407.db2.gz NZOKEXUHGGOVPF-OAHLLOKOSA-N 1 2 298.390 1.626 20 30 CDEDLO CC(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001753845023 1159919323 /nfs/dbraw/zinc/91/93/23/1159919323.db2.gz FSEUWSUODKKZEO-UHFFFAOYSA-N 1 2 263.316 1.607 20 30 CDEDLO CC(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001753845023 1159919327 /nfs/dbraw/zinc/91/93/27/1159919327.db2.gz FSEUWSUODKKZEO-UHFFFAOYSA-N 1 2 263.316 1.607 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ncccc1O ZINC001085562770 1161945927 /nfs/dbraw/zinc/94/59/27/1161945927.db2.gz UOYCQSVOQCWHOU-LLVKDONJSA-N 1 2 261.325 1.120 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncccc1O ZINC001085562770 1161945928 /nfs/dbraw/zinc/94/59/28/1161945928.db2.gz UOYCQSVOQCWHOU-LLVKDONJSA-N 1 2 261.325 1.120 20 30 CDEDLO Cc1nc(N[C@H](C)[C@H](C)NC(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001113012040 1162069942 /nfs/dbraw/zinc/06/99/42/1162069942.db2.gz KLBFJJVKYDCIMS-ZJUUUORDSA-N 1 2 298.350 1.604 20 30 CDEDLO COc1ccc(C=NNc2[nH+]ccn2C)c(OC)c1OC ZINC000790302536 1162143808 /nfs/dbraw/zinc/14/38/08/1162143808.db2.gz UIPUTBVFXCBZED-UHFFFAOYSA-N 1 2 290.323 1.892 20 30 CDEDLO CNc1ccc(Nc2c(C#N)cccc2-c2nn[nH]n2)c[nH+]1 ZINC001609291982 1164883465 /nfs/dbraw/zinc/88/34/65/1164883465.db2.gz LRAOKGLUXWFFPT-UHFFFAOYSA-N 1 2 292.306 1.919 20 30 CDEDLO Cn1cnc2c1C[N@H+](Cc1ccc(OCC#N)cc1)CC2 ZINC001137122599 1166059220 /nfs/dbraw/zinc/05/92/20/1166059220.db2.gz JQLDIXWVCQXNNO-UHFFFAOYSA-N 1 2 282.347 1.881 20 30 CDEDLO Cn1cnc2c1C[N@@H+](Cc1ccc(OCC#N)cc1)CC2 ZINC001137122599 1166059231 /nfs/dbraw/zinc/05/92/31/1166059231.db2.gz JQLDIXWVCQXNNO-UHFFFAOYSA-N 1 2 282.347 1.881 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCCC)[C@H](O)C1 ZINC001099676298 1166998390 /nfs/dbraw/zinc/99/83/90/1166998390.db2.gz YCRZYTFIUBVNKZ-CHWSQXEVSA-N 1 2 288.819 1.871 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCCC)[C@H](O)C1 ZINC001099676298 1166998395 /nfs/dbraw/zinc/99/83/95/1166998395.db2.gz YCRZYTFIUBVNKZ-CHWSQXEVSA-N 1 2 288.819 1.871 20 30 CDEDLO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1cc(C#N)ccc1O ZINC001232677057 1167389869 /nfs/dbraw/zinc/38/98/69/1167389869.db2.gz XZSCITQUBLVDGJ-YIONKMFJSA-N 1 2 288.347 1.642 20 30 CDEDLO COC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1cc(C#N)ccc1O ZINC001232677057 1167389875 /nfs/dbraw/zinc/38/98/75/1167389875.db2.gz XZSCITQUBLVDGJ-YIONKMFJSA-N 1 2 288.347 1.642 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cnccc2C#N)C1 ZINC001649806637 1169386876 /nfs/dbraw/zinc/38/68/76/1169386876.db2.gz LLAYSDYOYMVGTJ-LBPRGKRZSA-N 1 2 281.319 1.316 20 30 CDEDLO Cc1nc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)no1 ZINC001649839996 1169421030 /nfs/dbraw/zinc/42/10/30/1169421030.db2.gz AIAOYEIHEHYNMD-NOZJJQNGSA-N 1 2 272.308 1.634 20 30 CDEDLO N#Cc1cncnc1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC001654966589 1171653865 /nfs/dbraw/zinc/65/38/65/1171653865.db2.gz RFRXSSGMUUHPOW-UHFFFAOYSA-N 1 2 290.330 1.627 20 30 CDEDLO C[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@H+](C)CCC#N ZINC001590047631 1173240872 /nfs/dbraw/zinc/24/08/72/1173240872.db2.gz ZDTGQUACMPGTDJ-JTQLQIEISA-N 1 2 256.313 1.773 20 30 CDEDLO C[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+](C)CCC#N ZINC001590047631 1173240875 /nfs/dbraw/zinc/24/08/75/1173240875.db2.gz ZDTGQUACMPGTDJ-JTQLQIEISA-N 1 2 256.313 1.773 20 30 CDEDLO C=CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(OC)no2)C1 ZINC001713793981 1178755861 /nfs/dbraw/zinc/75/58/61/1178755861.db2.gz BYHLDXPMOYGDEV-LBPRGKRZSA-N 1 2 293.367 1.730 20 30 CDEDLO C=CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(OC)no2)C1 ZINC001713793981 1178755865 /nfs/dbraw/zinc/75/58/65/1178755865.db2.gz BYHLDXPMOYGDEV-LBPRGKRZSA-N 1 2 293.367 1.730 20 30 CDEDLO O=C(C#CC1CC1)N[C@@H]1CC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001715003664 1179502183 /nfs/dbraw/zinc/50/21/83/1179502183.db2.gz WEALAHOQXVVOSX-CQSZACIVSA-N 1 2 299.374 1.656 20 30 CDEDLO O=C(C#CC1CC1)N[C@@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001715003664 1179502187 /nfs/dbraw/zinc/50/21/87/1179502187.db2.gz WEALAHOQXVVOSX-CQSZACIVSA-N 1 2 299.374 1.656 20 30 CDEDLO C=CCCC(=O)NC[C@H](C)[NH2+]Cc1nncs1 ZINC001752864072 1184934199 /nfs/dbraw/zinc/93/41/99/1184934199.db2.gz LESNYLWTUMOVTI-VIFPVBQESA-N 1 2 254.359 1.099 20 30 CDEDLO C=CCCC(=O)NC[C@@H](C)[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001752863993 1184939530 /nfs/dbraw/zinc/93/95/30/1184939530.db2.gz JWHGIBDXDQXWKR-LLVKDONJSA-N 1 2 294.399 1.928 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)C#N)C1 ZINC001753452613 1185215209 /nfs/dbraw/zinc/21/52/09/1185215209.db2.gz BOKXYCUHJJNDFT-JQWIXIFHSA-N 1 2 269.776 1.821 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)C#N)C1 ZINC001753452613 1185215214 /nfs/dbraw/zinc/21/52/14/1185215214.db2.gz BOKXYCUHJJNDFT-JQWIXIFHSA-N 1 2 269.776 1.821 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)CC[N@H+](C)Cc1cnnn1C ZINC001753854061 1185363907 /nfs/dbraw/zinc/36/39/07/1185363907.db2.gz VSXCTHWYOMKGRF-UHFFFAOYSA-N 1 2 293.415 1.308 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)CC[N@@H+](C)Cc1cnnn1C ZINC001753854061 1185363911 /nfs/dbraw/zinc/36/39/11/1185363911.db2.gz VSXCTHWYOMKGRF-UHFFFAOYSA-N 1 2 293.415 1.308 20 30 CDEDLO CC(C)c1nnc(C[NH2+]C[C@@H](C)NC(=O)C#CC2CC2)o1 ZINC001754226454 1185517347 /nfs/dbraw/zinc/51/73/47/1185517347.db2.gz NERWHRCKZCDQSK-LLVKDONJSA-N 1 2 290.367 1.201 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)CC ZINC001754492461 1185639687 /nfs/dbraw/zinc/63/96/87/1185639687.db2.gz CLBNYDVQWVDIQL-BBRMVZONSA-N 1 2 295.427 1.258 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)CC ZINC001754492461 1185639689 /nfs/dbraw/zinc/63/96/89/1185639689.db2.gz CLBNYDVQWVDIQL-BBRMVZONSA-N 1 2 295.427 1.258 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1(CCOC)CCC1 ZINC001754499588 1185644094 /nfs/dbraw/zinc/64/40/94/1185644094.db2.gz BCPKNYSRISXREZ-ZDUSSCGKSA-N 1 2 264.369 1.017 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1(CCOC)CCC1 ZINC001754499588 1185644099 /nfs/dbraw/zinc/64/40/99/1185644099.db2.gz BCPKNYSRISXREZ-ZDUSSCGKSA-N 1 2 264.369 1.017 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)COc1ccc(C)cc1 ZINC001754502960 1185647991 /nfs/dbraw/zinc/64/79/91/1185647991.db2.gz RACVJEIGVRRDNT-OAHLLOKOSA-N 1 2 286.375 1.588 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)COc1ccc(C)cc1 ZINC001754502960 1185647994 /nfs/dbraw/zinc/64/79/94/1185647994.db2.gz RACVJEIGVRRDNT-OAHLLOKOSA-N 1 2 286.375 1.588 20 30 CDEDLO CC#CCCCC(=O)NCC1([NH2+]Cc2ncccn2)CC1 ZINC001754528779 1185660206 /nfs/dbraw/zinc/66/02/06/1185660206.db2.gz REFVYRVJTBGMCP-UHFFFAOYSA-N 1 2 286.379 1.409 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H](C)[C@@H]2CCCO2)C1 ZINC001754585860 1185675196 /nfs/dbraw/zinc/67/51/96/1185675196.db2.gz FTDPOWYFNJXPBA-HIFRSBDPSA-N 1 2 280.412 1.910 20 30 CDEDLO C#CCC[NH2+]C[C@]1(C)CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001754696254 1185708941 /nfs/dbraw/zinc/70/89/41/1185708941.db2.gz USPSAIAJITTXLG-JQWIXIFHSA-N 1 2 294.292 1.738 20 30 CDEDLO C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001754696254 1185708945 /nfs/dbraw/zinc/70/89/45/1185708945.db2.gz USPSAIAJITTXLG-JQWIXIFHSA-N 1 2 294.292 1.738 20 30 CDEDLO C=CC[NH+]1CCC(C)(CNC(=O)c2[nH]ncc2F)CC1 ZINC001754720125 1185714568 /nfs/dbraw/zinc/71/45/68/1185714568.db2.gz HXWKSNJOSFVAEO-UHFFFAOYSA-N 1 2 280.347 1.567 20 30 CDEDLO C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(F)C(F)(F)F)CC1 ZINC001754952591 1185769011 /nfs/dbraw/zinc/76/90/11/1185769011.db2.gz BENPPMVKNVZUJS-GMTAPVOTSA-N 1 2 294.292 1.785 20 30 CDEDLO C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001754952591 1185769016 /nfs/dbraw/zinc/76/90/16/1185769016.db2.gz BENPPMVKNVZUJS-GMTAPVOTSA-N 1 2 294.292 1.785 20 30 CDEDLO C=CC[NH+]1CCN(c2nc(Cl)cc(C(=O)OC)n2)CC1 ZINC001165033425 721863512 /nfs/dbraw/zinc/86/35/12/721863512.db2.gz OEEVCRXKYMCFAF-UHFFFAOYSA-N 1 2 296.758 1.225 20 30 CDEDLO C=C[C@](C)(O)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927076435 823716655 /nfs/dbraw/zinc/71/66/55/823716655.db2.gz IQUKZIZPNFKTQJ-HNNXBMFYSA-N 1 2 275.352 1.422 20 30 CDEDLO CSCCO[NH+]=C1CCCc2nc(N)sc21 ZINC000393951333 824125778 /nfs/dbraw/zinc/12/57/78/824125778.db2.gz XXGXADKADVPZPT-UHFFFAOYSA-N 1 2 257.384 1.976 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCC1(C)C ZINC000884142969 823761060 /nfs/dbraw/zinc/76/10/60/823761060.db2.gz RBQCCIXVAHLWSV-WDEREUQCSA-N 1 2 268.357 1.128 20 30 CDEDLO C#C[C@](C)(CC)[NH2+]Cc1nnnn1CC(F)(F)F ZINC000852103602 828334761 /nfs/dbraw/zinc/33/47/61/828334761.db2.gz LVZIXXQWTLBSLL-SECBINFHSA-N 1 2 261.251 1.127 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c2c1CCCC2 ZINC001017702801 828334909 /nfs/dbraw/zinc/33/49/09/828334909.db2.gz XYNWTNBZHGYZSP-BETUJISGSA-N 1 2 298.390 1.211 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c2c1CCCC2 ZINC001017702801 828334918 /nfs/dbraw/zinc/33/49/18/828334918.db2.gz XYNWTNBZHGYZSP-BETUJISGSA-N 1 2 298.390 1.211 20 30 CDEDLO N#C[C@]1(F)CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000786670004 828345573 /nfs/dbraw/zinc/34/55/73/828345573.db2.gz QMHPOZNJKROUCF-CYBMUJFWSA-N 1 2 258.256 1.412 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCCOC[C@H]2CCCO2)cc1 ZINC000782319606 828361960 /nfs/dbraw/zinc/36/19/60/828361960.db2.gz XLLMWFZYDQGEKZ-CQSZACIVSA-N 1 2 294.351 1.528 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)C=CCC1 ZINC001017807285 828369882 /nfs/dbraw/zinc/36/98/82/828369882.db2.gz SBLAARPLNKNUBP-LZWOXQAQSA-N 1 2 258.365 1.651 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)C=CCC1 ZINC001017807285 828369892 /nfs/dbraw/zinc/36/98/92/828369892.db2.gz SBLAARPLNKNUBP-LZWOXQAQSA-N 1 2 258.365 1.651 20 30 CDEDLO Cc1nn(C)c(N)c1C=[NH+]NC(=S)NC1CCCCC1 ZINC000814715861 828390795 /nfs/dbraw/zinc/39/07/95/828390795.db2.gz OHEKURBJHGZRQK-UHFFFAOYSA-N 1 2 294.428 1.441 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCO[C@@H](CC)C2)C1 ZINC001031216760 828387158 /nfs/dbraw/zinc/38/71/58/828387158.db2.gz ZUXJOOVQIOYROJ-OCCSQVGLSA-N 1 2 266.385 1.568 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)cn1C ZINC001032509761 828400167 /nfs/dbraw/zinc/40/01/67/828400167.db2.gz SYQDDLGOEAYJRO-RYUDHWBXSA-N 1 2 277.755 1.210 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)cn1C ZINC001032509761 828400170 /nfs/dbraw/zinc/40/01/70/828400170.db2.gz SYQDDLGOEAYJRO-RYUDHWBXSA-N 1 2 277.755 1.210 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001044017429 828422173 /nfs/dbraw/zinc/42/21/73/828422173.db2.gz VEAWDZKWLBMYHI-ZDUSSCGKSA-N 1 2 274.364 1.857 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2cnccc2n1 ZINC001038747902 822656796 /nfs/dbraw/zinc/65/67/96/822656796.db2.gz AFBBQRHAUPUONI-CQSZACIVSA-N 1 2 294.358 1.457 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2cnccc2n1 ZINC001038747902 822656812 /nfs/dbraw/zinc/65/68/12/822656812.db2.gz AFBBQRHAUPUONI-CQSZACIVSA-N 1 2 294.358 1.457 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccn1CC ZINC001039023961 822658905 /nfs/dbraw/zinc/65/89/05/822658905.db2.gz FUGBLMIQXBDORM-CYBMUJFWSA-N 1 2 259.353 1.335 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccn1CC ZINC001039023961 822658914 /nfs/dbraw/zinc/65/89/14/822658914.db2.gz FUGBLMIQXBDORM-CYBMUJFWSA-N 1 2 259.353 1.335 20 30 CDEDLO C=CCC(F)(F)C(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000816196164 822680365 /nfs/dbraw/zinc/68/03/65/822680365.db2.gz SOWZYRMVBBZMPQ-WDEREUQCSA-N 1 2 276.327 1.111 20 30 CDEDLO C=CCC(F)(F)C(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000816196164 822680376 /nfs/dbraw/zinc/68/03/76/822680376.db2.gz SOWZYRMVBBZMPQ-WDEREUQCSA-N 1 2 276.327 1.111 20 30 CDEDLO C#Cc1cccc(NC(=O)/C=C/C[NH+]2CCOCC2)c1 ZINC000864672455 822687023 /nfs/dbraw/zinc/68/70/23/822687023.db2.gz RLCUPFRXXDYGMP-QPJJXVBHSA-N 1 2 270.332 1.495 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnnc2ccccc21 ZINC001032648516 822723643 /nfs/dbraw/zinc/72/36/43/822723643.db2.gz AXJZIGPODIDBNL-STQMWFEESA-N 1 2 292.342 1.162 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnnc2ccccc21 ZINC001032648516 822723655 /nfs/dbraw/zinc/72/36/55/822723655.db2.gz AXJZIGPODIDBNL-STQMWFEESA-N 1 2 292.342 1.162 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(CC)c1 ZINC001027798202 822731546 /nfs/dbraw/zinc/73/15/46/822731546.db2.gz CXAQNJDKHAEHEZ-CYBMUJFWSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(CC)c1 ZINC001027798202 822731562 /nfs/dbraw/zinc/73/15/62/822731562.db2.gz CXAQNJDKHAEHEZ-CYBMUJFWSA-N 1 2 296.802 1.850 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2cocn2)C1 ZINC001010373313 828479185 /nfs/dbraw/zinc/47/91/85/828479185.db2.gz KGVNPZALMGQOJY-AWEZNQCLSA-N 1 2 296.330 1.551 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2cocn2)C1 ZINC001010373313 828479195 /nfs/dbraw/zinc/47/91/95/828479195.db2.gz KGVNPZALMGQOJY-AWEZNQCLSA-N 1 2 296.330 1.551 20 30 CDEDLO C#CC[N@@H+]1CC[C@@]2(NC(=O)c3[nH]nc(C)c3C)CCC[C@@H]12 ZINC000990056735 828505294 /nfs/dbraw/zinc/50/52/94/828505294.db2.gz RMLXONXONZWCCY-CJNGLKHVSA-N 1 2 286.379 1.387 20 30 CDEDLO C#CC[N@H+]1CC[C@@]2(NC(=O)c3[nH]nc(C)c3C)CCC[C@@H]12 ZINC000990056735 828505317 /nfs/dbraw/zinc/50/53/17/828505317.db2.gz RMLXONXONZWCCY-CJNGLKHVSA-N 1 2 286.379 1.387 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1[nH]ccc1C)CCO2 ZINC001053238580 828540046 /nfs/dbraw/zinc/54/00/46/828540046.db2.gz WXLGMXLXNBHVSE-UHFFFAOYSA-N 1 2 289.379 1.426 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H]1CCC(=O)NC1=O ZINC000839471423 823753103 /nfs/dbraw/zinc/75/31/03/823753103.db2.gz UUGKDNDKNKUFIE-ZDUSSCGKSA-N 1 2 274.295 1.066 20 30 CDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H]1CCC(=O)NC1=O ZINC000839471423 823753112 /nfs/dbraw/zinc/75/31/12/823753112.db2.gz UUGKDNDKNKUFIE-ZDUSSCGKSA-N 1 2 274.295 1.066 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC2(CCC2)C[C@H]1C ZINC000884375500 823781382 /nfs/dbraw/zinc/78/13/82/823781382.db2.gz BRKYYHQCEWRURI-NEPJUHHUSA-N 1 2 280.368 1.224 20 30 CDEDLO Nc1ncc(C=[NH+]Nc2ccc3c(cc[nH]c3=O)c2)cn1 ZINC000789075814 823838224 /nfs/dbraw/zinc/83/82/24/823838224.db2.gz BOFZBDSXCIFKRG-UHFFFAOYSA-N 1 2 280.291 1.346 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)[C@H](C)CO2 ZINC001032582347 823847078 /nfs/dbraw/zinc/84/70/78/823847078.db2.gz WOPWGJYTSRAPFX-SNPRPXQTSA-N 1 2 296.370 1.714 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)[C@H](C)CO2 ZINC001032582347 823847085 /nfs/dbraw/zinc/84/70/85/823847085.db2.gz WOPWGJYTSRAPFX-SNPRPXQTSA-N 1 2 296.370 1.714 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C)c1CC ZINC001032627989 823875595 /nfs/dbraw/zinc/87/55/95/823875595.db2.gz OMSMOHDAOBROAI-STQMWFEESA-N 1 2 271.364 1.119 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C)c1CC ZINC001032627989 823875596 /nfs/dbraw/zinc/87/55/96/823875596.db2.gz OMSMOHDAOBROAI-STQMWFEESA-N 1 2 271.364 1.119 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1nc(C2CC2)oc1C ZINC001038859074 823881758 /nfs/dbraw/zinc/88/17/58/823881758.db2.gz WCSNHBRCTJYACA-GFCCVEGCSA-N 1 2 273.336 1.298 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc(C2CC2)oc1C ZINC001038859074 823881761 /nfs/dbraw/zinc/88/17/61/823881761.db2.gz WCSNHBRCTJYACA-GFCCVEGCSA-N 1 2 273.336 1.298 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnc3n2CCCCC3)C1 ZINC001030515367 823917011 /nfs/dbraw/zinc/91/70/11/823917011.db2.gz VAANRVFUCQHULZ-UHFFFAOYSA-N 1 2 288.395 1.600 20 30 CDEDLO CC(C)c1noc(C[NH2+][C@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001018633119 823921623 /nfs/dbraw/zinc/92/16/23/823921623.db2.gz UNAQWBFLOGUULD-MNOVXSKESA-N 1 2 291.355 1.043 20 30 CDEDLO N#Cc1cccc(CNC(=O)/C=C\C[NH+]2CCOCC2)c1 ZINC000864789497 823965171 /nfs/dbraw/zinc/96/51/71/823965171.db2.gz RCVASQQQEUZZGU-DJWKRKHSSA-N 1 2 285.347 1.063 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC(C)(C)CO1 ZINC001017728012 823986817 /nfs/dbraw/zinc/98/68/17/823986817.db2.gz CLRWRQARTSMETO-ZNMIVQPWSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC(C)(C)CO1 ZINC001017728012 823986822 /nfs/dbraw/zinc/98/68/22/823986822.db2.gz CLRWRQARTSMETO-ZNMIVQPWSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1[nH]nc(CC)c1Cl ZINC001038358031 823992850 /nfs/dbraw/zinc/99/28/50/823992850.db2.gz URIRYIFSONAOQR-JTQLQIEISA-N 1 2 294.786 1.453 20 30 CDEDLO C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1[nH]nc(CC)c1Cl ZINC001038358031 823992867 /nfs/dbraw/zinc/99/28/67/823992867.db2.gz URIRYIFSONAOQR-JTQLQIEISA-N 1 2 294.786 1.453 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1cc(F)ccc1F ZINC000884071448 824004531 /nfs/dbraw/zinc/00/45/31/824004531.db2.gz UXAAFEYKTVSLSA-LBPRGKRZSA-N 1 2 298.289 1.028 20 30 CDEDLO C[C@H](C#N)OCCO[NH+]=C(N)Cc1cccs1 ZINC000802728534 824010043 /nfs/dbraw/zinc/01/00/43/824010043.db2.gz FMWRKDOERZZZPR-SECBINFHSA-N 1 2 253.327 1.718 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2cccnc21 ZINC001038637165 824035461 /nfs/dbraw/zinc/03/54/61/824035461.db2.gz FNXAZVJNZLMJQF-GJZGRUSLSA-N 1 2 283.375 1.325 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2cccnc21 ZINC001038637165 824035467 /nfs/dbraw/zinc/03/54/67/824035467.db2.gz FNXAZVJNZLMJQF-GJZGRUSLSA-N 1 2 283.375 1.325 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccoc1Br ZINC001038888826 824035642 /nfs/dbraw/zinc/03/56/42/824035642.db2.gz XCERYPUBAGQDDG-SECBINFHSA-N 1 2 297.152 1.479 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccoc1Br ZINC001038888826 824035651 /nfs/dbraw/zinc/03/56/51/824035651.db2.gz XCERYPUBAGQDDG-SECBINFHSA-N 1 2 297.152 1.479 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)nc1 ZINC001038574879 824053488 /nfs/dbraw/zinc/05/34/88/824053488.db2.gz HWSHFUIGCXLFTE-LLVKDONJSA-N 1 2 297.280 1.538 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)nc1 ZINC001038574879 824053492 /nfs/dbraw/zinc/05/34/92/824053492.db2.gz HWSHFUIGCXLFTE-LLVKDONJSA-N 1 2 297.280 1.538 20 30 CDEDLO N#CCC[C@H](C#N)C[NH+]1CCC(N2CCOC2=O)CC1 ZINC000852724018 824065445 /nfs/dbraw/zinc/06/54/45/824065445.db2.gz OPBQGGULMXYTIB-GFCCVEGCSA-N 1 2 276.340 1.347 20 30 CDEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2oc(C)cc2C)C1 ZINC001047340041 824074648 /nfs/dbraw/zinc/07/46/48/824074648.db2.gz FBKFOBLEBUDLKA-KBPBESRZSA-N 1 2 290.363 1.037 20 30 CDEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2oc(C)cc2C)C1 ZINC001047340041 824074652 /nfs/dbraw/zinc/07/46/52/824074652.db2.gz FBKFOBLEBUDLKA-KBPBESRZSA-N 1 2 290.363 1.037 20 30 CDEDLO COC[C@@H]1COCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000933336764 824106470 /nfs/dbraw/zinc/10/64/70/824106470.db2.gz QHACDLIOOBVLBE-CQSZACIVSA-N 1 2 276.336 1.436 20 30 CDEDLO COC[C@@H]1COCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000933336764 824106480 /nfs/dbraw/zinc/10/64/80/824106480.db2.gz QHACDLIOOBVLBE-CQSZACIVSA-N 1 2 276.336 1.436 20 30 CDEDLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H](C#N)C2CCCCC2)C1 ZINC000805468547 824133397 /nfs/dbraw/zinc/13/33/97/824133397.db2.gz HDTQDIAZBDFVJF-ZIAGYGMSSA-N 1 2 280.368 1.723 20 30 CDEDLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H](C#N)C2CCCCC2)C1 ZINC000805468547 824133400 /nfs/dbraw/zinc/13/34/00/824133400.db2.gz HDTQDIAZBDFVJF-ZIAGYGMSSA-N 1 2 280.368 1.723 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1scnc1COC ZINC001028189016 824136664 /nfs/dbraw/zinc/13/66/64/824136664.db2.gz NUNINEPFHPRUHY-LLVKDONJSA-N 1 2 293.392 1.117 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1scnc1COC ZINC001028189016 824136671 /nfs/dbraw/zinc/13/66/71/824136671.db2.gz NUNINEPFHPRUHY-LLVKDONJSA-N 1 2 293.392 1.117 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@](C)(C=C)CC)C2)C1 ZINC000972532310 824150628 /nfs/dbraw/zinc/15/06/28/824150628.db2.gz PWEQZLMKTFJMHW-SJORKVTESA-N 1 2 290.407 1.525 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@](C)(C=C)CC)C2)C1 ZINC000972532310 824150633 /nfs/dbraw/zinc/15/06/33/824150633.db2.gz PWEQZLMKTFJMHW-SJORKVTESA-N 1 2 290.407 1.525 20 30 CDEDLO CCCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000829969164 824157317 /nfs/dbraw/zinc/15/73/17/824157317.db2.gz NMSGQLUUBWVTBO-ZFWWWQNUSA-N 1 2 281.400 1.422 20 30 CDEDLO CCCCC[C@H](C)NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000829969164 824157327 /nfs/dbraw/zinc/15/73/27/824157327.db2.gz NMSGQLUUBWVTBO-ZFWWWQNUSA-N 1 2 281.400 1.422 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CCC)CC(C)C ZINC000884435661 824169037 /nfs/dbraw/zinc/16/90/37/824169037.db2.gz FRZGRKVWTATUNG-LBPRGKRZSA-N 1 2 270.373 1.328 20 30 CDEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC001051963756 824177245 /nfs/dbraw/zinc/17/72/45/824177245.db2.gz AUMLZRKMHGMOOI-MRXNPFEDSA-N 1 2 289.423 1.028 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)SC ZINC001017372986 824240577 /nfs/dbraw/zinc/24/05/77/824240577.db2.gz LFISACCHADZGGD-SDDRHHMPSA-N 1 2 254.399 1.599 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)SC ZINC001017372986 824240584 /nfs/dbraw/zinc/24/05/84/824240584.db2.gz LFISACCHADZGGD-SDDRHHMPSA-N 1 2 254.399 1.599 20 30 CDEDLO C#CC1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000882532687 824240882 /nfs/dbraw/zinc/24/08/82/824240882.db2.gz VGZCUFSVBCXLGB-LBPRGKRZSA-N 1 2 257.337 1.508 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnnn1CC ZINC001027872743 824258851 /nfs/dbraw/zinc/25/88/51/824258851.db2.gz VXFBCLUEWKXQAT-LLVKDONJSA-N 1 2 297.790 1.245 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnnn1CC ZINC001027872743 824258862 /nfs/dbraw/zinc/25/88/62/824258862.db2.gz VXFBCLUEWKXQAT-LLVKDONJSA-N 1 2 297.790 1.245 20 30 CDEDLO C#CCOc1ccc(CNC(=O)NCc2c[nH+]cn2C)cc1 ZINC000297235785 824271941 /nfs/dbraw/zinc/27/19/41/824271941.db2.gz XDWIHFUXJBFIFZ-UHFFFAOYSA-N 1 2 298.346 1.432 20 30 CDEDLO C#CCN1CCC[C@H](Nc2nc(N)[nH+]c3c2CCCC3)C1 ZINC000884610635 824277441 /nfs/dbraw/zinc/27/74/41/824277441.db2.gz REJANUGTYZCVKM-LBPRGKRZSA-N 1 2 285.395 1.447 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2CCCCN2C(C)=O)C1 ZINC001031091784 824286078 /nfs/dbraw/zinc/28/60/78/824286078.db2.gz MVMBRFXAHQNYTE-HNNXBMFYSA-N 1 2 293.411 1.154 20 30 CDEDLO C=C(Br)C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000382481279 824315220 /nfs/dbraw/zinc/31/52/20/824315220.db2.gz IWLRKVJLKJKUBX-GFCCVEGCSA-N 1 2 289.217 1.692 20 30 CDEDLO C=C(Br)C[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000382481279 824315227 /nfs/dbraw/zinc/31/52/27/824315227.db2.gz IWLRKVJLKJKUBX-GFCCVEGCSA-N 1 2 289.217 1.692 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc[nH]2)C1 ZINC001035286442 824315282 /nfs/dbraw/zinc/31/52/82/824315282.db2.gz WOEFOHLLCDLAGA-GFCCVEGCSA-N 1 2 263.341 1.021 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc[nH]2)C1 ZINC001035286442 824315287 /nfs/dbraw/zinc/31/52/87/824315287.db2.gz WOEFOHLLCDLAGA-GFCCVEGCSA-N 1 2 263.341 1.021 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCN1c1ccccc1 ZINC001038334408 824321255 /nfs/dbraw/zinc/32/12/55/824321255.db2.gz DPVIWQKKUDSFAD-SJORKVTESA-N 1 2 297.402 1.479 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCN1c1ccccc1 ZINC001038334408 824321257 /nfs/dbraw/zinc/32/12/57/824321257.db2.gz DPVIWQKKUDSFAD-SJORKVTESA-N 1 2 297.402 1.479 20 30 CDEDLO C=CC[N@@H+](C)CN1C(=O)C(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000811769545 824345442 /nfs/dbraw/zinc/34/54/42/824345442.db2.gz YLOOHOGHVSFAMM-RYUDHWBXSA-N 1 2 252.358 1.478 20 30 CDEDLO C=CC[N@H+](C)CN1C(=O)C(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000811769545 824345444 /nfs/dbraw/zinc/34/54/44/824345444.db2.gz YLOOHOGHVSFAMM-RYUDHWBXSA-N 1 2 252.358 1.478 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc3cccnc3[nH]2)CC1 ZINC001151544668 1167077036 /nfs/dbraw/zinc/07/70/36/1167077036.db2.gz TVJKAFVWNOPBKO-UHFFFAOYSA-N 1 2 270.336 1.507 20 30 CDEDLO Cc1nc(N[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001057594759 824467150 /nfs/dbraw/zinc/46/71/50/824467150.db2.gz VYKDLCLOVUTVOB-ZYHUDNBSSA-N 1 2 273.340 1.348 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(N(C)CC)cc1 ZINC001039077548 824476878 /nfs/dbraw/zinc/47/68/78/824476878.db2.gz POIZBWSMJAKJAC-INIZCTEOSA-N 1 2 285.391 1.580 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N(C)CC)cc1 ZINC001039077548 824476881 /nfs/dbraw/zinc/47/68/81/824476881.db2.gz POIZBWSMJAKJAC-INIZCTEOSA-N 1 2 285.391 1.580 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2CCCCN2C(C)=O)C1 ZINC001044042768 824525782 /nfs/dbraw/zinc/52/57/82/824525782.db2.gz MOJQOWBHTGVIDL-CQSZACIVSA-N 1 2 293.411 1.106 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccon2)cc1 ZINC001038083511 824544186 /nfs/dbraw/zinc/54/41/86/824544186.db2.gz MPBCLUUPWJLRJE-AWEZNQCLSA-N 1 2 296.330 1.551 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccon2)cc1 ZINC001038083511 824544201 /nfs/dbraw/zinc/54/42/01/824544201.db2.gz MPBCLUUPWJLRJE-AWEZNQCLSA-N 1 2 296.330 1.551 20 30 CDEDLO CN(C)c1ccc(F)cc1C[NH+]1CCN(CC#N)CC1 ZINC000876677962 824662607 /nfs/dbraw/zinc/66/26/07/824662607.db2.gz WVQYJHNNRSMWGI-UHFFFAOYSA-N 1 2 276.359 1.533 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1c(C)cccc1C ZINC001032770378 824737980 /nfs/dbraw/zinc/73/79/80/824737980.db2.gz WFDLRVDDLVEDNC-HOTGVXAUSA-N 1 2 298.386 1.601 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1c(C)cccc1C ZINC001032770378 824737985 /nfs/dbraw/zinc/73/79/85/824737985.db2.gz WFDLRVDDLVEDNC-HOTGVXAUSA-N 1 2 298.386 1.601 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2nsc3ccccc32)C1 ZINC001031425625 824794041 /nfs/dbraw/zinc/79/40/41/824794041.db2.gz XNVQNJHMNGCSHN-UHFFFAOYSA-N 1 2 299.399 1.663 20 30 CDEDLO COc1ccc(C2=NO[C@@H](C[NH2+]CCC#N)C2)cc1 ZINC000819296205 824836444 /nfs/dbraw/zinc/83/64/44/824836444.db2.gz VOQSIFPUXHLOIX-CYBMUJFWSA-N 1 2 259.309 1.691 20 30 CDEDLO C#CCCOC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000859107537 824850283 /nfs/dbraw/zinc/85/02/83/824850283.db2.gz JOBYFTYDDATAAJ-UHFFFAOYSA-N 1 2 274.324 1.067 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(C)=O)[C@@H]2C1 ZINC001075466377 824850335 /nfs/dbraw/zinc/85/03/35/824850335.db2.gz OLXCKIRMADJDHU-WDEREUQCSA-N 1 2 273.174 1.448 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(C)=O)[C@@H]2C1 ZINC001075466377 824850339 /nfs/dbraw/zinc/85/03/39/824850339.db2.gz OLXCKIRMADJDHU-WDEREUQCSA-N 1 2 273.174 1.448 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc3[nH]c(C)nc32)C1 ZINC001031198589 824862645 /nfs/dbraw/zinc/86/26/45/824862645.db2.gz QAUOBAHQHBCANA-UHFFFAOYSA-N 1 2 284.363 1.861 20 30 CDEDLO C#CCOCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000847718917 824885055 /nfs/dbraw/zinc/88/50/55/824885055.db2.gz DHVDVTNYCZAEOG-UHFFFAOYSA-N 1 2 257.293 1.022 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2[nH]ccc2c1 ZINC001038372927 824954256 /nfs/dbraw/zinc/95/42/56/824954256.db2.gz FGQPYFNZHBLYBL-AWEZNQCLSA-N 1 2 282.347 1.342 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2[nH]ccc2c1 ZINC001038372927 824954295 /nfs/dbraw/zinc/95/42/95/824954295.db2.gz FGQPYFNZHBLYBL-AWEZNQCLSA-N 1 2 282.347 1.342 20 30 CDEDLO CCCCCCCNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000875091106 825035991 /nfs/dbraw/zinc/03/59/91/825035991.db2.gz UPNFCQWWHUEMIA-CYBMUJFWSA-N 1 2 294.399 1.474 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2CC(C)(C)C2)C1 ZINC001035361722 825054537 /nfs/dbraw/zinc/05/45/37/825054537.db2.gz KZJDUTBEUGESET-ZDUSSCGKSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C2CC(C)(C)C2)C1 ZINC001035361722 825054554 /nfs/dbraw/zinc/05/45/54/825054554.db2.gz KZJDUTBEUGESET-ZDUSSCGKSA-N 1 2 266.385 1.426 20 30 CDEDLO C#Cc1ccc(C(=O)NC2CN(Cc3c[nH+]cn3C)C2)cc1 ZINC001030776743 825072614 /nfs/dbraw/zinc/07/26/14/825072614.db2.gz WSWZRHYVQCWOAV-UHFFFAOYSA-N 1 2 294.358 1.016 20 30 CDEDLO C=C(C)C[C@H](CO)NC(=O)NCCCNc1cccc[nH+]1 ZINC000883134834 825090252 /nfs/dbraw/zinc/09/02/52/825090252.db2.gz KTODMXPPWSFSBD-CYBMUJFWSA-N 1 2 292.383 1.510 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncoc1C1CC1 ZINC001032714729 825091398 /nfs/dbraw/zinc/09/13/98/825091398.db2.gz CUCJIBWJZUEVCX-STQMWFEESA-N 1 2 285.347 1.474 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncoc1C1CC1 ZINC001032714729 825091400 /nfs/dbraw/zinc/09/14/00/825091400.db2.gz CUCJIBWJZUEVCX-STQMWFEESA-N 1 2 285.347 1.474 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C2(SC)CC2)C1 ZINC000923563240 825111469 /nfs/dbraw/zinc/11/14/69/825111469.db2.gz CGGLSBNFYWJVTF-LLVKDONJSA-N 1 2 252.383 1.096 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C2(SC)CC2)C1 ZINC000923563240 825111479 /nfs/dbraw/zinc/11/14/79/825111479.db2.gz CGGLSBNFYWJVTF-LLVKDONJSA-N 1 2 252.383 1.096 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(OC)c1F ZINC001038832956 825119410 /nfs/dbraw/zinc/11/94/10/825119410.db2.gz GAWOSIRRFCCUDN-GFCCVEGCSA-N 1 2 290.338 1.662 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(OC)c1F ZINC001038832956 825119425 /nfs/dbraw/zinc/11/94/25/825119425.db2.gz GAWOSIRRFCCUDN-GFCCVEGCSA-N 1 2 290.338 1.662 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1ncc(Cl)n1C)[C@H]1CCCO1 ZINC000775783919 825126146 /nfs/dbraw/zinc/12/61/46/825126146.db2.gz FNKMXEJFFRUBOH-NXEZZACHSA-N 1 2 253.733 1.344 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001001056443 825137311 /nfs/dbraw/zinc/13/73/11/825137311.db2.gz UIYZBKIBSICXCQ-WDNDVIMCSA-N 1 2 296.798 1.380 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001001056443 825137333 /nfs/dbraw/zinc/13/73/33/825137333.db2.gz UIYZBKIBSICXCQ-WDNDVIMCSA-N 1 2 296.798 1.380 20 30 CDEDLO N#CCCN(CCC#N)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930481005 825159196 /nfs/dbraw/zinc/15/91/96/825159196.db2.gz SVQBGYYXMDTYLY-UHFFFAOYSA-N 1 2 267.292 1.832 20 30 CDEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C=C(C)C)C2)CC1 ZINC001051976465 825210378 /nfs/dbraw/zinc/21/03/78/825210378.db2.gz DBBNXGPQDMAFKV-INIZCTEOSA-N 1 2 289.423 1.194 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cncs2)CC[C@H]1C ZINC001071376177 825214183 /nfs/dbraw/zinc/21/41/83/825214183.db2.gz PDPYUSDGUVQWRE-MNOVXSKESA-N 1 2 263.366 1.359 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cncs2)CC[C@H]1C ZINC001071376177 825214188 /nfs/dbraw/zinc/21/41/88/825214188.db2.gz PDPYUSDGUVQWRE-MNOVXSKESA-N 1 2 263.366 1.359 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)c(F)cc1F ZINC001032469227 825231475 /nfs/dbraw/zinc/23/14/75/825231475.db2.gz BVCWDPWRDFOMEP-RYUDHWBXSA-N 1 2 290.313 1.805 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)c(F)cc1F ZINC001032469227 825231488 /nfs/dbraw/zinc/23/14/88/825231488.db2.gz BVCWDPWRDFOMEP-RYUDHWBXSA-N 1 2 290.313 1.805 20 30 CDEDLO CC(=[NH+]NCCOCC(F)(F)F)c1ccc(N)nc1 ZINC000814889486 825254811 /nfs/dbraw/zinc/25/48/11/825254811.db2.gz IDMBBUJAJJVTSW-UHFFFAOYSA-N 1 2 276.262 1.556 20 30 CDEDLO CC(C)C#CC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000820384151 828756799 /nfs/dbraw/zinc/75/67/99/828756799.db2.gz ZWXBOQCWMQHFHA-UHFFFAOYSA-N 1 2 271.364 1.957 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C(F)F)CCC1 ZINC001032586030 825273463 /nfs/dbraw/zinc/27/34/63/825273463.db2.gz ICTBFAFCEYIRGV-RYUDHWBXSA-N 1 2 282.334 1.730 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C(F)F)CCC1 ZINC001032586030 825273474 /nfs/dbraw/zinc/27/34/74/825273474.db2.gz ICTBFAFCEYIRGV-RYUDHWBXSA-N 1 2 282.334 1.730 20 30 CDEDLO COC(=O)c1cccc(N[NH+]=Cc2cnc(N(C)C)nc2)c1 ZINC000814900737 825292836 /nfs/dbraw/zinc/29/28/36/825292836.db2.gz GJXHHIVYWWCHCJ-UHFFFAOYSA-N 1 2 299.334 1.775 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1sc(COC)nc1C ZINC001038963021 825327628 /nfs/dbraw/zinc/32/76/28/825327628.db2.gz XDQKWQYYNMUXTE-LLVKDONJSA-N 1 2 295.408 1.588 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1sc(COC)nc1C ZINC001038963021 825327643 /nfs/dbraw/zinc/32/76/43/825327643.db2.gz XDQKWQYYNMUXTE-LLVKDONJSA-N 1 2 295.408 1.588 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccoc1CC ZINC001038208750 825358245 /nfs/dbraw/zinc/35/82/45/825358245.db2.gz PYQDYTAUBNKYQX-GFCCVEGCSA-N 1 2 260.337 1.669 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccoc1CC ZINC001038208750 825358250 /nfs/dbraw/zinc/35/82/50/825358250.db2.gz PYQDYTAUBNKYQX-GFCCVEGCSA-N 1 2 260.337 1.669 20 30 CDEDLO C=C(Br)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000171471661 825365956 /nfs/dbraw/zinc/36/59/56/825365956.db2.gz PEDHFWYZNMIDKR-JTQLQIEISA-N 1 2 275.190 1.886 20 30 CDEDLO C=C(Br)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000171471661 825365965 /nfs/dbraw/zinc/36/59/65/825365965.db2.gz PEDHFWYZNMIDKR-JTQLQIEISA-N 1 2 275.190 1.886 20 30 CDEDLO C#C[C@H]([NH2+][C@H](C)C(=O)c1c[nH]c2ncccc12)[C@H]1CCCO1 ZINC000775793768 825367289 /nfs/dbraw/zinc/36/72/89/825367289.db2.gz NWDRBHWMLGXXKJ-BYCMXARLSA-N 1 2 297.358 1.905 20 30 CDEDLO C=C(CO)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000791393246 825396282 /nfs/dbraw/zinc/39/62/82/825396282.db2.gz BILNDXHGBVOVIS-LBPRGKRZSA-N 1 2 280.393 1.502 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1N[C@@H](C)CC(N)=O ZINC000853371511 825411642 /nfs/dbraw/zinc/41/16/42/825411642.db2.gz BEBZWXHLFIFOMH-NSHDSACASA-N 1 2 261.325 1.550 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cn[nH]c2)[C@@H]1C ZINC000993074239 825420285 /nfs/dbraw/zinc/42/02/85/825420285.db2.gz WPLKLJAVOLXPIG-JQWIXIFHSA-N 1 2 282.775 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn[nH]c2)[C@@H]1C ZINC000993074239 825420288 /nfs/dbraw/zinc/42/02/88/825420288.db2.gz WPLKLJAVOLXPIG-JQWIXIFHSA-N 1 2 282.775 1.745 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2ccccn2c1 ZINC001038768444 825448112 /nfs/dbraw/zinc/44/81/12/825448112.db2.gz OSQYSEZEKKDGJZ-OAHLLOKOSA-N 1 2 267.332 1.377 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2ccccn2c1 ZINC001038768444 825448116 /nfs/dbraw/zinc/44/81/16/825448116.db2.gz OSQYSEZEKKDGJZ-OAHLLOKOSA-N 1 2 267.332 1.377 20 30 CDEDLO C#CCOCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000810227235 825518361 /nfs/dbraw/zinc/51/83/61/825518361.db2.gz ABDSKECOTBENCV-UHFFFAOYSA-N 1 2 258.281 1.106 20 30 CDEDLO C#CC[N@H+]1CC[C@@](C)(NC(=O)c2scnc2COC)C1 ZINC001046686602 825557930 /nfs/dbraw/zinc/55/79/30/825557930.db2.gz OOTBUKVTOMXMDL-CQSZACIVSA-N 1 2 293.392 1.117 20 30 CDEDLO C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2scnc2COC)C1 ZINC001046686602 825557945 /nfs/dbraw/zinc/55/79/45/825557945.db2.gz OOTBUKVTOMXMDL-CQSZACIVSA-N 1 2 293.392 1.117 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)no1 ZINC001018202410 825578916 /nfs/dbraw/zinc/57/89/16/825578916.db2.gz LSEQXSUAKLRXNH-AOOOYVTPSA-N 1 2 281.743 1.803 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)no1 ZINC001018202410 825578920 /nfs/dbraw/zinc/57/89/20/825578920.db2.gz LSEQXSUAKLRXNH-AOOOYVTPSA-N 1 2 281.743 1.803 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)C2CC2)s1 ZINC001037994583 825587127 /nfs/dbraw/zinc/58/71/27/825587127.db2.gz QYJGBYRJEKXSEL-NSHDSACASA-N 1 2 275.377 1.720 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)C2CC2)s1 ZINC001037994583 825587132 /nfs/dbraw/zinc/58/71/32/825587132.db2.gz QYJGBYRJEKXSEL-NSHDSACASA-N 1 2 275.377 1.720 20 30 CDEDLO COc1cccc(C[NH+]2CCN(C(=O)[C@@H](C)C#N)CC2)c1 ZINC000870156703 825605236 /nfs/dbraw/zinc/60/52/36/825605236.db2.gz CFXQTRJEBXCEPY-ZDUSSCGKSA-N 1 2 287.363 1.499 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)c1ccc(OC)cc1 ZINC000846293828 825633581 /nfs/dbraw/zinc/63/35/81/825633581.db2.gz OFJRZKFIEPKQRD-HNNXBMFYSA-N 1 2 272.348 1.756 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)c1ccc(OC)cc1 ZINC000846293828 825633606 /nfs/dbraw/zinc/63/36/06/825633606.db2.gz OFJRZKFIEPKQRD-HNNXBMFYSA-N 1 2 272.348 1.756 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(Cl)no2)C1 ZINC001035591392 825649844 /nfs/dbraw/zinc/64/98/44/825649844.db2.gz JVBLZQPARHDWDB-SNVBAGLBSA-N 1 2 299.758 1.335 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(Cl)no2)C1 ZINC001035591392 825649867 /nfs/dbraw/zinc/64/98/67/825649867.db2.gz JVBLZQPARHDWDB-SNVBAGLBSA-N 1 2 299.758 1.335 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ocnc1-c1ccccc1 ZINC001038333255 828801165 /nfs/dbraw/zinc/80/11/65/828801165.db2.gz QQUCOPXKPXYTDP-CQSZACIVSA-N 1 2 295.342 1.779 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ocnc1-c1ccccc1 ZINC001038333255 828801166 /nfs/dbraw/zinc/80/11/66/828801166.db2.gz QQUCOPXKPXYTDP-CQSZACIVSA-N 1 2 295.342 1.779 20 30 CDEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cn[nH]n1)CC2 ZINC001035739005 825666949 /nfs/dbraw/zinc/66/69/49/825666949.db2.gz ATOOMBMIRMIQOJ-UHFFFAOYSA-N 1 2 295.774 1.095 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NC1CCC2(CC1)OCCO2 ZINC000846990922 828814981 /nfs/dbraw/zinc/81/49/81/828814981.db2.gz FUZDKZVNQUKWKI-LBPRGKRZSA-N 1 2 295.383 1.070 20 30 CDEDLO C=C(C)CONC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000845607947 825673989 /nfs/dbraw/zinc/67/39/89/825673989.db2.gz XYPWCMDNCDWDFL-CYBMUJFWSA-N 1 2 277.324 1.752 20 30 CDEDLO CCON=C(N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181839709 828816991 /nfs/dbraw/zinc/81/69/91/828816991.db2.gz OTYBWDZNGYROLZ-ZDUSSCGKSA-N 1 2 263.341 1.196 20 30 CDEDLO CCON=C(N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181839709 828816998 /nfs/dbraw/zinc/81/69/98/828816998.db2.gz OTYBWDZNGYROLZ-ZDUSSCGKSA-N 1 2 263.341 1.196 20 30 CDEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cocn1 ZINC001010372131 825738580 /nfs/dbraw/zinc/73/85/80/825738580.db2.gz AVSQXQGMOFXNLO-HNNXBMFYSA-N 1 2 295.342 1.530 20 30 CDEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cocn1 ZINC001010372131 825738591 /nfs/dbraw/zinc/73/85/91/825738591.db2.gz AVSQXQGMOFXNLO-HNNXBMFYSA-N 1 2 295.342 1.530 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C2CC2)nn1C ZINC001038307136 825752582 /nfs/dbraw/zinc/75/25/82/825752582.db2.gz TYPDKDYCJOZORX-CYBMUJFWSA-N 1 2 286.379 1.125 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C2CC2)nn1C ZINC001038307136 825752588 /nfs/dbraw/zinc/75/25/88/825752588.db2.gz TYPDKDYCJOZORX-CYBMUJFWSA-N 1 2 286.379 1.125 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000800349876 825774920 /nfs/dbraw/zinc/77/49/20/825774920.db2.gz VYCZFBAQEIQBCY-KGLIPLIRSA-N 1 2 283.368 1.374 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001027882405 825798800 /nfs/dbraw/zinc/79/88/00/825798800.db2.gz NTZATCLJUWWUJP-STQMWFEESA-N 1 2 288.395 1.596 20 30 CDEDLO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001027882405 825798819 /nfs/dbraw/zinc/79/88/19/825798819.db2.gz NTZATCLJUWWUJP-STQMWFEESA-N 1 2 288.395 1.596 20 30 CDEDLO C=CCNC(=S)NN=C1CCCc2[nH+]c(N)ccc21 ZINC000834920493 825808813 /nfs/dbraw/zinc/80/88/13/825808813.db2.gz RSYUMIGZEOTLCX-UHFFFAOYSA-N 1 2 275.381 1.354 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn[nH]c(=O)c2)C1 ZINC001033166218 825851215 /nfs/dbraw/zinc/85/12/15/825851215.db2.gz SOZXMUOZTSBHQS-LLVKDONJSA-N 1 2 296.758 1.081 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cn[nH]c(=O)c2)C1 ZINC001033166218 825851216 /nfs/dbraw/zinc/85/12/16/825851216.db2.gz SOZXMUOZTSBHQS-LLVKDONJSA-N 1 2 296.758 1.081 20 30 CDEDLO C[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)C[C@H](C)[S@@]1=O 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1.132 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccn3c2CCCC3)C1 ZINC001030458575 826115849 /nfs/dbraw/zinc/11/58/49/826115849.db2.gz AEMOVACZYVNPKJ-UHFFFAOYSA-N 1 2 271.364 1.262 20 30 CDEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C(F)F)CC2 ZINC001035629714 826119482 /nfs/dbraw/zinc/11/94/82/826119482.db2.gz JQWKSJFBJIFTCQ-UHFFFAOYSA-N 1 2 278.730 1.928 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C#Cc2cccs2)C1 ZINC000827719753 826188940 /nfs/dbraw/zinc/18/89/40/826188940.db2.gz FXNDQCVMCZYUIT-LBPRGKRZSA-N 1 2 285.372 1.849 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](CC)O1 ZINC001017597874 826215017 /nfs/dbraw/zinc/21/50/17/826215017.db2.gz YOFSGBLYHXHOMZ-FZKCQIBNSA-N 1 2 290.407 1.643 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](CC)O1 ZINC001017597874 826215033 /nfs/dbraw/zinc/21/50/33/826215033.db2.gz YOFSGBLYHXHOMZ-FZKCQIBNSA-N 1 2 290.407 1.643 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C(C#N)(CC)CC ZINC000874709510 826218224 /nfs/dbraw/zinc/21/82/24/826218224.db2.gz FDBQXHZFVCNPDV-ZDUSSCGKSA-N 1 2 281.400 1.543 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)C(C#N)(CC)CC ZINC000874709510 826218240 /nfs/dbraw/zinc/21/82/40/826218240.db2.gz FDBQXHZFVCNPDV-ZDUSSCGKSA-N 1 2 281.400 1.543 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH2+][C@@H](C)c2nc(C)no2)C1 ZINC001019238325 826252831 /nfs/dbraw/zinc/25/28/31/826252831.db2.gz WVESVTQMNHBCNO-JQWIXIFHSA-N 1 2 292.383 1.842 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@]2(C)CCO[C@H]2C)C1 ZINC001030727566 826255989 /nfs/dbraw/zinc/25/59/89/826255989.db2.gz XDINAPOJBVUVOT-SMDDNHRTSA-N 1 2 252.358 1.178 20 30 CDEDLO N#CCN1CCCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000981608652 826290952 /nfs/dbraw/zinc/29/09/52/826290952.db2.gz CGLBLDZGOLLTOK-UHFFFAOYSA-N 1 2 283.335 1.006 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2nccc(C)c2c1 ZINC001038303916 826302284 /nfs/dbraw/zinc/30/22/84/826302284.db2.gz PPCZPZGRUZEXQL-HNNXBMFYSA-N 1 2 293.370 1.981 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2nccc(C)c2c1 ZINC001038303916 826302291 /nfs/dbraw/zinc/30/22/91/826302291.db2.gz PPCZPZGRUZEXQL-HNNXBMFYSA-N 1 2 293.370 1.981 20 30 CDEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)co1 ZINC000971210477 826341942 /nfs/dbraw/zinc/34/19/42/826341942.db2.gz HQPFNKCJWYQPBO-ZWNOBZJWSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1nc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)co1 ZINC000971210477 826341953 /nfs/dbraw/zinc/34/19/53/826341953.db2.gz HQPFNKCJWYQPBO-ZWNOBZJWSA-N 1 2 276.340 1.175 20 30 CDEDLO CCc1ccc(C#CC(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000815615492 826349471 /nfs/dbraw/zinc/34/94/71/826349471.db2.gz QKNVFWWRDILADT-UHFFFAOYSA-N 1 2 279.343 1.881 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCOC[C@@H]2C)C1 ZINC001031958424 826351210 /nfs/dbraw/zinc/35/12/10/826351210.db2.gz VBIBVAXFZHOXGK-GXFFZTMASA-N 1 2 286.803 1.460 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)nc2)C1 ZINC001010176762 826364095 /nfs/dbraw/zinc/36/40/95/826364095.db2.gz IWKBSKCJSIOJLJ-ZDUSSCGKSA-N 1 2 279.771 1.947 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)nc2)C1 ZINC001010176762 826364102 /nfs/dbraw/zinc/36/41/02/826364102.db2.gz IWKBSKCJSIOJLJ-ZDUSSCGKSA-N 1 2 279.771 1.947 20 30 CDEDLO C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc3[nH]nnc3c2)[C@H]1C ZINC000994403670 826365090 /nfs/dbraw/zinc/36/50/90/826365090.db2.gz RQEIFSIQDFVYCH-YPMHNXCESA-N 1 2 299.378 1.727 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3[nH]nnc3c2)[C@H]1C ZINC000994403670 826365101 /nfs/dbraw/zinc/36/51/01/826365101.db2.gz RQEIFSIQDFVYCH-YPMHNXCESA-N 1 2 299.378 1.727 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)c(F)c1 ZINC001038372550 826367174 /nfs/dbraw/zinc/36/71/74/826367174.db2.gz SJSOYAFHHDQXQT-CYBMUJFWSA-N 1 2 290.338 1.662 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)c(F)c1 ZINC001038372550 826367180 /nfs/dbraw/zinc/36/71/80/826367180.db2.gz SJSOYAFHHDQXQT-CYBMUJFWSA-N 1 2 290.338 1.662 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC001038747407 826375300 /nfs/dbraw/zinc/37/53/00/826375300.db2.gz KTWIEOUHGDNASQ-AWEZNQCLSA-N 1 2 267.332 1.605 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC001038747407 826375305 /nfs/dbraw/zinc/37/53/05/826375305.db2.gz KTWIEOUHGDNASQ-AWEZNQCLSA-N 1 2 267.332 1.605 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875556222 826378503 /nfs/dbraw/zinc/37/85/03/826378503.db2.gz FOTWHWLQOCEQLK-KBPBESRZSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875556222 826378510 /nfs/dbraw/zinc/37/85/10/826378510.db2.gz FOTWHWLQOCEQLK-KBPBESRZSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CCN(CC(=O)OCC)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000847613265 826381591 /nfs/dbraw/zinc/38/15/91/826381591.db2.gz XMSYYZHQZREULD-NSHDSACASA-N 1 2 279.340 1.166 20 30 CDEDLO C=CCN(CC(=O)OCC)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000847613265 826381597 /nfs/dbraw/zinc/38/15/97/826381597.db2.gz XMSYYZHQZREULD-NSHDSACASA-N 1 2 279.340 1.166 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccnn2C2CCC2)C1 ZINC001030326162 826386961 /nfs/dbraw/zinc/38/69/61/826386961.db2.gz CRGNXROTGPHWCA-UHFFFAOYSA-N 1 2 272.352 1.045 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC12CC2 ZINC001032474358 826467198 /nfs/dbraw/zinc/46/71/98/826467198.db2.gz VSZCOUCWKWZJAR-MELADBBJSA-N 1 2 258.365 1.485 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC12CC2 ZINC001032474358 826467161 /nfs/dbraw/zinc/46/71/61/826467161.db2.gz VSZCOUCWKWZJAR-MELADBBJSA-N 1 2 258.365 1.485 20 30 CDEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C(C)(C)C=C)C2)CC1 ZINC001052063397 826486884 /nfs/dbraw/zinc/48/68/84/826486884.db2.gz UVJQNFFFNHODCU-HNNXBMFYSA-N 1 2 289.423 1.050 20 30 CDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000844454204 826513241 /nfs/dbraw/zinc/51/32/41/826513241.db2.gz SJBFUXNBTRUDGN-BETUJISGSA-N 1 2 291.301 1.371 20 30 CDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000844454204 826513261 /nfs/dbraw/zinc/51/32/61/826513261.db2.gz SJBFUXNBTRUDGN-BETUJISGSA-N 1 2 291.301 1.371 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)CC[C@@H]1C ZINC001071975601 826634105 /nfs/dbraw/zinc/63/41/05/826634105.db2.gz XOWOBMJRYRDFIS-QWRGUYRKSA-N 1 2 297.790 1.069 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)CC[C@@H]1C ZINC001071975601 826634115 /nfs/dbraw/zinc/63/41/15/826634115.db2.gz XOWOBMJRYRDFIS-QWRGUYRKSA-N 1 2 297.790 1.069 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1coc(CCC)n1 ZINC001038919232 826664412 /nfs/dbraw/zinc/66/44/12/826664412.db2.gz CODOGTFIADBAHD-LBPRGKRZSA-N 1 2 275.352 1.455 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(CCC)n1 ZINC001038919232 826664463 /nfs/dbraw/zinc/66/44/63/826664463.db2.gz CODOGTFIADBAHD-LBPRGKRZSA-N 1 2 275.352 1.455 20 30 CDEDLO CC(C)[C@@H](C#N)N1CC[NH+](C[C@H](O)c2ccccn2)CC1 ZINC000851870163 826669239 /nfs/dbraw/zinc/66/92/39/826669239.db2.gz BVAFVYVXNBKNLS-CVEARBPZSA-N 1 2 288.395 1.281 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1Cc2c1cccc2Cl ZINC001039067316 826710959 /nfs/dbraw/zinc/71/09/59/826710959.db2.gz MRBZMEWFWZVJBF-FZMZJTMJSA-N 1 2 288.778 1.803 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1Cc2c1cccc2Cl ZINC001039067316 826710998 /nfs/dbraw/zinc/71/09/98/826710998.db2.gz MRBZMEWFWZVJBF-FZMZJTMJSA-N 1 2 288.778 1.803 20 30 CDEDLO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1snnc1C(C)C ZINC001038841294 826806253 /nfs/dbraw/zinc/80/62/53/826806253.db2.gz AVTWHRMKBLQTGE-LLVKDONJSA-N 1 2 292.408 1.489 20 30 CDEDLO C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1snnc1C(C)C ZINC001038841294 826806255 /nfs/dbraw/zinc/80/62/55/826806255.db2.gz AVTWHRMKBLQTGE-LLVKDONJSA-N 1 2 292.408 1.489 20 30 CDEDLO CCOC(=O)C(C)(C)O[NH+]=Cc1cccnc1N ZINC000835005123 826812790 /nfs/dbraw/zinc/81/27/90/826812790.db2.gz PFIDGKWQMDYPGO-UHFFFAOYSA-N 1 2 251.286 1.356 20 30 CDEDLO C[NH+]1CCN(N=Cc2cc(F)cc(F)c2O)CC1 ZINC000884370497 826820389 /nfs/dbraw/zinc/82/03/89/826820389.db2.gz LHEMHWFGOMQHRG-UHFFFAOYSA-N 1 2 255.268 1.252 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2=CCOCC2)C1 ZINC001031627226 826831667 /nfs/dbraw/zinc/83/16/67/826831667.db2.gz HBHBUXQMZJOXDX-UHFFFAOYSA-N 1 2 270.760 1.134 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCC1(C#N)CCC1 ZINC000875674986 826855485 /nfs/dbraw/zinc/85/54/85/826855485.db2.gz QPQOZXUJDQKCCK-CYBMUJFWSA-N 1 2 294.399 1.090 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NCC1(C#N)CCC1 ZINC000875674986 826855486 /nfs/dbraw/zinc/85/54/86/826855486.db2.gz QPQOZXUJDQKCCK-CYBMUJFWSA-N 1 2 294.399 1.090 20 30 CDEDLO NC(CCO)=[NH+]OCc1ccccc1OCC(F)(F)F ZINC000121412391 826858412 /nfs/dbraw/zinc/85/84/12/826858412.db2.gz RCZLISMZMMMKQZ-UHFFFAOYSA-N 1 2 292.257 1.799 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001075619468 826898753 /nfs/dbraw/zinc/89/87/53/826898753.db2.gz DFBNDLMLYVPVMM-ZMLRMANQSA-N 1 2 267.760 1.431 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001075619468 826898754 /nfs/dbraw/zinc/89/87/54/826898754.db2.gz DFBNDLMLYVPVMM-ZMLRMANQSA-N 1 2 267.760 1.431 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC001039005507 826987766 /nfs/dbraw/zinc/98/77/66/826987766.db2.gz MJKQMADHWLKQIZ-CQSZACIVSA-N 1 2 281.359 1.995 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC001039005507 826987790 /nfs/dbraw/zinc/98/77/90/826987790.db2.gz MJKQMADHWLKQIZ-CQSZACIVSA-N 1 2 281.359 1.995 20 30 CDEDLO Nc1ncc(C=[NH+]Nc2ccc(Br)nc2)cn1 ZINC000781594286 827094892 /nfs/dbraw/zinc/09/48/92/827094892.db2.gz GJGBIBHWIZSPRF-UHFFFAOYSA-N 1 2 293.128 1.662 20 30 CDEDLO C#CCOCC[N@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC000851761917 827137889 /nfs/dbraw/zinc/13/78/89/827137889.db2.gz FFUFSKQFIWRXKA-UHFFFAOYSA-N 1 2 259.305 1.439 20 30 CDEDLO C#CCOCC[N@@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC000851761917 827137898 /nfs/dbraw/zinc/13/78/98/827137898.db2.gz FFUFSKQFIWRXKA-UHFFFAOYSA-N 1 2 259.305 1.439 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)ccn2C)C1 ZINC001010766276 827167274 /nfs/dbraw/zinc/16/72/74/827167274.db2.gz ICCUSMBEMYFUQC-LBPRGKRZSA-N 1 2 281.787 1.890 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)ccn2C)C1 ZINC001010766276 827167286 /nfs/dbraw/zinc/16/72/86/827167286.db2.gz ICCUSMBEMYFUQC-LBPRGKRZSA-N 1 2 281.787 1.890 20 30 CDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cnco1 ZINC001031880185 827169947 /nfs/dbraw/zinc/16/99/47/827169947.db2.gz HTCWDLQQANKWLP-UHFFFAOYSA-N 1 2 295.342 1.388 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1CC)C(C)C ZINC000875594001 827275237 /nfs/dbraw/zinc/27/52/37/827275237.db2.gz LITKPISWYBDNIJ-KBPBESRZSA-N 1 2 281.400 1.054 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1CC)C(C)C ZINC000875594001 827275248 /nfs/dbraw/zinc/27/52/48/827275248.db2.gz LITKPISWYBDNIJ-KBPBESRZSA-N 1 2 281.400 1.054 20 30 CDEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(F)(F)CC1 ZINC000796541313 827318188 /nfs/dbraw/zinc/31/81/88/827318188.db2.gz QCHYMYMMUUKDHQ-UHFFFAOYSA-N 1 2 284.310 1.373 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccn1C(C)C ZINC001039024874 827353152 /nfs/dbraw/zinc/35/31/52/827353152.db2.gz LXZVJDNEIFUQAG-ZDUSSCGKSA-N 1 2 259.353 1.506 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccn1C(C)C ZINC001039024874 827353153 /nfs/dbraw/zinc/35/31/53/827353153.db2.gz LXZVJDNEIFUQAG-ZDUSSCGKSA-N 1 2 259.353 1.506 20 30 CDEDLO C=CC[N@H+](CN1C(=O)C[C@](C)(C(C)C)C1=O)[C@H](C)COC ZINC000853535286 827365294 /nfs/dbraw/zinc/36/52/94/827365294.db2.gz SGLPEWXNXVDTFO-CZUORRHYSA-N 1 2 296.411 1.888 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)C[C@](C)(C(C)C)C1=O)[C@H](C)COC ZINC000853535286 827365302 /nfs/dbraw/zinc/36/53/02/827365302.db2.gz SGLPEWXNXVDTFO-CZUORRHYSA-N 1 2 296.411 1.888 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(CCC)n[nH]1 ZINC001038577562 827382052 /nfs/dbraw/zinc/38/20/52/827382052.db2.gz ZZINUAKBQQRALZ-ZDUSSCGKSA-N 1 2 274.368 1.190 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(CCC)n[nH]1 ZINC001038577562 827382064 /nfs/dbraw/zinc/38/20/64/827382064.db2.gz ZZINUAKBQQRALZ-ZDUSSCGKSA-N 1 2 274.368 1.190 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C(C)(F)F ZINC001032633439 827388600 /nfs/dbraw/zinc/38/86/00/827388600.db2.gz NNALRSPQDZYLGH-DCAQKATOSA-N 1 2 256.296 1.196 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C(C)(F)F ZINC001032633439 827388607 /nfs/dbraw/zinc/38/86/07/827388607.db2.gz NNALRSPQDZYLGH-DCAQKATOSA-N 1 2 256.296 1.196 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2cc(OCC)no2)C1 ZINC001030688349 827392600 /nfs/dbraw/zinc/39/26/00/827392600.db2.gz AJZNDMBAJTXCHC-UHFFFAOYSA-N 1 2 265.313 1.063 20 30 CDEDLO Cc1ccn(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c(=O)c1C#N ZINC000842622644 827400983 /nfs/dbraw/zinc/40/09/83/827400983.db2.gz AZBUOHBMKITPJO-OCCSQVGLSA-N 1 2 273.336 1.097 20 30 CDEDLO Cc1ccn(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c(=O)c1C#N ZINC000842622644 827401005 /nfs/dbraw/zinc/40/10/05/827401005.db2.gz AZBUOHBMKITPJO-OCCSQVGLSA-N 1 2 273.336 1.097 20 30 CDEDLO C#Cc1ccc(C[NH2+]Cc2nnnn2-c2ccccc2)cc1 ZINC000809611032 827665231 /nfs/dbraw/zinc/66/52/31/827665231.db2.gz OIEXIEILSQOCDK-UHFFFAOYSA-N 1 2 289.342 1.933 20 30 CDEDLO C#CCCCCCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000779738516 827706323 /nfs/dbraw/zinc/70/63/23/827706323.db2.gz INBUGNGYKDGGPU-UHFFFAOYSA-N 1 2 280.412 1.797 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(C)=O)C[C@@H](C)O2 ZINC001071107874 827711691 /nfs/dbraw/zinc/71/16/91/827711691.db2.gz QZWSSUSRXLSJLW-YPMHNXCESA-N 1 2 272.776 1.451 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(C)=O)C[C@@H](C)O2 ZINC001071107874 827711681 /nfs/dbraw/zinc/71/16/81/827711681.db2.gz QZWSSUSRXLSJLW-YPMHNXCESA-N 1 2 272.776 1.451 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C=C(C)C)C[C@H]21 ZINC001074155624 827742896 /nfs/dbraw/zinc/74/28/96/827742896.db2.gz XIZIWVINSNROJO-CABCVRRESA-N 1 2 278.396 1.830 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C=C(C)C)C[C@H]21 ZINC001074155624 827742913 /nfs/dbraw/zinc/74/29/13/827742913.db2.gz XIZIWVINSNROJO-CABCVRRESA-N 1 2 278.396 1.830 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001030841654 827762475 /nfs/dbraw/zinc/76/24/75/827762475.db2.gz LAHILFXDSNJGDR-LLVKDONJSA-N 1 2 270.323 1.636 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC(C)(C)CC1 ZINC000884154382 827841229 /nfs/dbraw/zinc/84/12/29/827841229.db2.gz FRWICURFQYQLCU-LBPRGKRZSA-N 1 2 282.384 1.472 20 30 CDEDLO C[C@]12CC[N@H+](CC(=O)NCC#N)C[C@H]1C2(Cl)Cl ZINC000792896526 827843433 /nfs/dbraw/zinc/84/34/33/827843433.db2.gz AEHIYKTWEBGRGX-SCZZXKLOSA-N 1 2 276.167 1.142 20 30 CDEDLO C[C@]12CC[N@@H+](CC(=O)NCC#N)C[C@H]1C2(Cl)Cl ZINC000792896526 827843437 /nfs/dbraw/zinc/84/34/37/827843437.db2.gz AEHIYKTWEBGRGX-SCZZXKLOSA-N 1 2 276.167 1.142 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(F)cc(F)c2)C1 ZINC001031355589 827849984 /nfs/dbraw/zinc/84/99/84/827849984.db2.gz JEUCMFNESGPXRR-UHFFFAOYSA-N 1 2 264.275 1.402 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)[C@H]1CCCO1 ZINC000775348119 827853424 /nfs/dbraw/zinc/85/34/24/827853424.db2.gz IXVBTZFCXLPAMK-GHMZBOCLSA-N 1 2 287.285 1.716 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CCC)c1C ZINC001032696205 827867845 /nfs/dbraw/zinc/86/78/45/827867845.db2.gz RRKOBIXQRWNTLS-KBPBESRZSA-N 1 2 286.379 1.133 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CCC)c1C ZINC001032696205 827867848 /nfs/dbraw/zinc/86/78/48/827867848.db2.gz RRKOBIXQRWNTLS-KBPBESRZSA-N 1 2 286.379 1.133 20 30 CDEDLO C#CC[N@@H+](CCCS(=O)(=O)C(C)(C)C)C1CC1 ZINC000878434547 827871723 /nfs/dbraw/zinc/87/17/23/827871723.db2.gz NFUXFEOJHYKREK-UHFFFAOYSA-N 1 2 257.399 1.687 20 30 CDEDLO C#CC[N@H+](CCCS(=O)(=O)C(C)(C)C)C1CC1 ZINC000878434547 827871724 /nfs/dbraw/zinc/87/17/24/827871724.db2.gz NFUXFEOJHYKREK-UHFFFAOYSA-N 1 2 257.399 1.687 20 30 CDEDLO CC(=[NH+]N1CCN(C)CC1)c1cc(N)ccc1F ZINC000814685452 827886485 /nfs/dbraw/zinc/88/64/85/827886485.db2.gz MIJDWLCBJYFMCK-UHFFFAOYSA-N 1 2 250.321 1.379 20 30 CDEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)F)C[C@@H]21 ZINC001074132192 827897184 /nfs/dbraw/zinc/89/71/84/827897184.db2.gz USUBTPBLIUQTCU-STQMWFEESA-N 1 2 284.375 1.612 20 30 CDEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)F)C[C@@H]21 ZINC001074132192 827897186 /nfs/dbraw/zinc/89/71/86/827897186.db2.gz USUBTPBLIUQTCU-STQMWFEESA-N 1 2 284.375 1.612 20 30 CDEDLO CC(C)NC(=O)[C@@H](C#N)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845442833 827900611 /nfs/dbraw/zinc/90/06/11/827900611.db2.gz JYXOMUHQFNKGLJ-MNOVXSKESA-N 1 2 262.313 1.068 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1nocc1C)CCO2 ZINC001053500091 828009456 /nfs/dbraw/zinc/00/94/56/828009456.db2.gz MHSNBXJJEDFFAP-UHFFFAOYSA-N 1 2 291.351 1.086 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC(F)(F)C1 ZINC001017603535 828051636 /nfs/dbraw/zinc/05/16/36/828051636.db2.gz PNECQYCZRSOMAA-UPJWGTAASA-N 1 2 282.334 1.730 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC(F)(F)C1 ZINC001017603535 828051646 /nfs/dbraw/zinc/05/16/46/828051646.db2.gz PNECQYCZRSOMAA-UPJWGTAASA-N 1 2 282.334 1.730 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001031025634 828058320 /nfs/dbraw/zinc/05/83/20/828058320.db2.gz HARBWZJZKHZEBA-CQSZACIVSA-N 1 2 270.376 1.922 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccsc2)C1 ZINC001042432994 828069941 /nfs/dbraw/zinc/06/99/41/828069941.db2.gz LSHKZLPMFKQHAK-UHFFFAOYSA-N 1 2 250.367 1.619 20 30 CDEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3ccccc3o2)C1 ZINC001047618355 828079403 /nfs/dbraw/zinc/07/94/03/828079403.db2.gz CLIGGNDRFKZXQL-KBPBESRZSA-N 1 2 298.342 1.183 20 30 CDEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3ccccc3o2)C1 ZINC001047618355 828079407 /nfs/dbraw/zinc/07/94/07/828079407.db2.gz CLIGGNDRFKZXQL-KBPBESRZSA-N 1 2 298.342 1.183 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H](F)C1 ZINC001017854840 828303379 /nfs/dbraw/zinc/30/33/79/828303379.db2.gz DOWVKVWRSLEKCG-TUVASFSCSA-N 1 2 278.371 1.823 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H](F)C1 ZINC001017854840 828303389 /nfs/dbraw/zinc/30/33/89/828303389.db2.gz DOWVKVWRSLEKCG-TUVASFSCSA-N 1 2 278.371 1.823 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COCC(=O)c2cccc(C#N)c2)C1 ZINC001210381767 1167359452 /nfs/dbraw/zinc/35/94/52/1167359452.db2.gz NLDVDDXRZFDLPV-CQSZACIVSA-N 1 2 274.320 1.088 20 30 CDEDLO C[N@H+]1CCO[C@@H](COCC(=O)c2cccc(C#N)c2)C1 ZINC001210381767 1167359461 /nfs/dbraw/zinc/35/94/61/1167359461.db2.gz NLDVDDXRZFDLPV-CQSZACIVSA-N 1 2 274.320 1.088 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2cc(C)ccc2C)C1 ZINC001030892703 913031060 /nfs/dbraw/zinc/03/10/60/913031060.db2.gz WYYNCAUSZKOYDI-UHFFFAOYSA-N 1 2 258.365 1.832 20 30 CDEDLO C#CCOCCC(=O)N(C)C[C@@H]1CC[N@@H+]1C/C=C\Cl ZINC001234246849 913409607 /nfs/dbraw/zinc/40/96/07/913409607.db2.gz TYPZDKVCMWDPMZ-IRBQFCFKSA-N 1 2 284.787 1.312 20 30 CDEDLO C#CCOCCC(=O)N(C)C[C@@H]1CC[N@H+]1C/C=C\Cl ZINC001234246849 913409610 /nfs/dbraw/zinc/40/96/10/913409610.db2.gz TYPZDKVCMWDPMZ-IRBQFCFKSA-N 1 2 284.787 1.312 20 30 CDEDLO C=CCN(CC[N@@H+]1CC[C@](C)(C#N)C1)C(=O)OCC ZINC001209024572 894427592 /nfs/dbraw/zinc/42/75/92/894427592.db2.gz ULLYPYCGCBNRDK-CQSZACIVSA-N 1 2 265.357 1.866 20 30 CDEDLO C=CCN(CC[N@H+]1CC[C@](C)(C#N)C1)C(=O)OCC ZINC001209024572 894427596 /nfs/dbraw/zinc/42/75/96/894427596.db2.gz ULLYPYCGCBNRDK-CQSZACIVSA-N 1 2 265.357 1.866 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cccnc1 ZINC001266371643 894612261 /nfs/dbraw/zinc/61/22/61/894612261.db2.gz FLRASCVKOULLSC-UHFFFAOYSA-N 1 2 267.760 1.886 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cccnc1 ZINC001266371643 894612266 /nfs/dbraw/zinc/61/22/66/894612266.db2.gz FLRASCVKOULLSC-UHFFFAOYSA-N 1 2 267.760 1.886 20 30 CDEDLO Cc1nc(C[NH2+]CCNC(=O)c2ccc(C#N)[nH]2)oc1C ZINC001125776077 897941309 /nfs/dbraw/zinc/94/13/09/897941309.db2.gz GKQIYNRIHXQJME-UHFFFAOYSA-N 1 2 287.323 1.011 20 30 CDEDLO COC(=O)c1cc(C#N)cc(NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001176833766 914293648 /nfs/dbraw/zinc/29/36/48/914293648.db2.gz VYGPCBBCDYMAAS-UHFFFAOYSA-N 1 2 284.275 1.249 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)/C(C)=C\CC)C[C@@H]21 ZINC001176943859 914417982 /nfs/dbraw/zinc/41/79/82/914417982.db2.gz QKHKYKYXEUHFLA-USCQQBMNSA-N 1 2 290.407 1.668 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)/C(C)=C\CC)C[C@@H]21 ZINC001176943859 914417984 /nfs/dbraw/zinc/41/79/84/914417984.db2.gz QKHKYKYXEUHFLA-USCQQBMNSA-N 1 2 290.407 1.668 20 30 CDEDLO C#CCCCC(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001126338869 901761209 /nfs/dbraw/zinc/76/12/09/901761209.db2.gz LHXAWQANNIDVHA-JTQLQIEISA-N 1 2 266.370 1.108 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001031447861 914644625 /nfs/dbraw/zinc/64/46/25/914644625.db2.gz IAKCUOJIIPUYOL-UHFFFAOYSA-N 1 2 297.362 1.462 20 30 CDEDLO C=CCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C)no1 ZINC001270016756 904273196 /nfs/dbraw/zinc/27/31/96/904273196.db2.gz YFRMLBBGQQQWAR-GFCCVEGCSA-N 1 2 278.356 1.425 20 30 CDEDLO N#CCc1cccc(C(=O)NCCOc2cc[nH+]cc2)c1 ZINC001188689215 921153655 /nfs/dbraw/zinc/15/36/55/921153655.db2.gz MXEWUESPURAOOK-UHFFFAOYSA-N 1 2 281.315 1.956 20 30 CDEDLO N#CCc1cccc(C(=O)NCC2([NH+]3CCCC3)COC2)c1 ZINC001188688401 921153049 /nfs/dbraw/zinc/15/30/49/921153049.db2.gz WLGBOOWNSPCETM-UHFFFAOYSA-N 1 2 299.374 1.347 20 30 CDEDLO C=CCCC(=O)NCc1cnn2c1C[N@H+](C(C)C)CC2 ZINC001128251038 921229454 /nfs/dbraw/zinc/22/94/54/921229454.db2.gz MBVVMKPVNZZARN-UHFFFAOYSA-N 1 2 276.384 1.690 20 30 CDEDLO C=CCCC(=O)NCc1cnn2c1C[N@@H+](C(C)C)CC2 ZINC001128251038 921229457 /nfs/dbraw/zinc/22/94/57/921229457.db2.gz MBVVMKPVNZZARN-UHFFFAOYSA-N 1 2 276.384 1.690 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CCC2)[C@@H](O)C1 ZINC001089998128 921304131 /nfs/dbraw/zinc/30/41/31/921304131.db2.gz UQCROQIOOHQLAH-NEPJUHHUSA-N 1 2 272.776 1.090 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CCC2)[C@@H](O)C1 ZINC001089998128 921304134 /nfs/dbraw/zinc/30/41/34/921304134.db2.gz UQCROQIOOHQLAH-NEPJUHHUSA-N 1 2 272.776 1.090 20 30 CDEDLO Cc1nc(C[NH2+]CCNC(=O)C#CC(C)C)oc1C ZINC001126827915 909339565 /nfs/dbraw/zinc/33/95/65/909339565.db2.gz FLFAJOXGBFIISL-UHFFFAOYSA-N 1 2 263.341 1.157 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)C)c1nccn12 ZINC001092409279 909405441 /nfs/dbraw/zinc/40/54/41/909405441.db2.gz LWRUTUGTDNJDFN-GFCCVEGCSA-N 1 2 288.395 1.687 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CC)CC2)C1 ZINC001093491755 909864107 /nfs/dbraw/zinc/86/41/07/909864107.db2.gz FHNRGCYQWCKLQI-UHFFFAOYSA-N 1 2 252.358 1.274 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C3(CF)CC3)CC2)C1 ZINC001093572858 909973562 /nfs/dbraw/zinc/97/35/62/909973562.db2.gz TUNGVEYZTWCTRS-UHFFFAOYSA-N 1 2 296.386 1.614 20 30 CDEDLO Cc1ccc(C#N)c(NCCNC(=O)CCc2[nH]cc[nH+]2)n1 ZINC001093582558 909986624 /nfs/dbraw/zinc/98/66/24/909986624.db2.gz XJCHMXMICRLUTF-UHFFFAOYSA-N 1 2 298.350 1.146 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](C)OCC)CC2)C1 ZINC001105690528 910201336 /nfs/dbraw/zinc/20/13/36/910201336.db2.gz PEBMZNBXELWBFI-ZDUSSCGKSA-N 1 2 296.411 1.289 20 30 CDEDLO C#CCCCCCC(=O)NCCNc1cc[nH+]c(C)n1 ZINC001094060597 910298571 /nfs/dbraw/zinc/29/85/71/910298571.db2.gz KOKJOQMFCQVWJA-UHFFFAOYSA-N 1 2 274.368 1.897 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCNc1ccc(C#N)nc1 ZINC001094188989 910398420 /nfs/dbraw/zinc/39/84/20/910398420.db2.gz YAMNNBUNQVBYPQ-LLVKDONJSA-N 1 2 298.350 1.083 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCNc1ccc(C#N)nc1 ZINC001094188989 910398435 /nfs/dbraw/zinc/39/84/35/910398435.db2.gz YAMNNBUNQVBYPQ-LLVKDONJSA-N 1 2 298.350 1.083 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccsn1 ZINC001409579985 910523333 /nfs/dbraw/zinc/52/33/33/910523333.db2.gz QFUQYKNDTNPPIH-VIFPVBQESA-N 1 2 273.789 1.946 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccsn1 ZINC001409579985 910523314 /nfs/dbraw/zinc/52/33/14/910523314.db2.gz QFUQYKNDTNPPIH-VIFPVBQESA-N 1 2 273.789 1.946 20 30 CDEDLO C#CC[C@H]([NH2+][C@H](C)CCO[C@H](C)CC)C(=O)OC ZINC001172327555 911589956 /nfs/dbraw/zinc/58/99/56/911589956.db2.gz DMHGXFPKAGNVCW-UPJWGTAASA-N 1 2 255.358 1.735 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2Cc3ccccc3O2)C1 ZINC001030359034 911708343 /nfs/dbraw/zinc/70/83/43/911708343.db2.gz MLXIUPQSWXXSDP-OAHLLOKOSA-N 1 2 286.375 1.757 20 30 CDEDLO N#Cc1ccnnc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212667559 911724256 /nfs/dbraw/zinc/72/42/56/911724256.db2.gz YOVCXAQBTCFSGE-UHFFFAOYSA-N 1 2 281.319 1.268 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001106041955 912068852 /nfs/dbraw/zinc/06/88/52/912068852.db2.gz MWTIQIJVNFXTTQ-GFCCVEGCSA-N 1 2 292.383 1.276 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccon2)C1 ZINC001189917521 921723000 /nfs/dbraw/zinc/72/30/00/921723000.db2.gz HNSKTLFCKVAYBC-ZFWWWQNUSA-N 1 2 293.367 1.034 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccon2)C1 ZINC001189917521 921723005 /nfs/dbraw/zinc/72/30/05/921723005.db2.gz HNSKTLFCKVAYBC-ZFWWWQNUSA-N 1 2 293.367 1.034 20 30 CDEDLO N#Cc1cc(N)c(NC(=O)CCc2[nH]cc[nH+]2)cc1C#N ZINC001177996286 915078844 /nfs/dbraw/zinc/07/88/44/915078844.db2.gz BPLWSYJQWRLXJT-UHFFFAOYSA-N 1 2 280.291 1.307 20 30 CDEDLO Cc1ncc(C#N)cc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178101134 915167076 /nfs/dbraw/zinc/16/70/76/915167076.db2.gz QFPRJDVXDSDNQZ-GFCCVEGCSA-N 1 2 281.319 1.659 20 30 CDEDLO N#Cc1ccc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cn1 ZINC001178121784 915228244 /nfs/dbraw/zinc/22/82/44/915228244.db2.gz KTAAMSNMFSQIHN-LBPRGKRZSA-N 1 2 281.319 1.029 20 30 CDEDLO C#CC[NH2+]CCCCCCNC(=O)C(F)C(F)(F)F ZINC001178536121 915489909 /nfs/dbraw/zinc/48/99/09/915489909.db2.gz PXNHVVYXTUGHHD-SNVBAGLBSA-N 1 2 282.281 1.786 20 30 CDEDLO C#CC[NH2+]CCCCCCNC(=O)[C@@H](F)C(F)(F)F ZINC001178536121 915489921 /nfs/dbraw/zinc/48/99/21/915489921.db2.gz PXNHVVYXTUGHHD-SNVBAGLBSA-N 1 2 282.281 1.786 20 30 CDEDLO N#Cc1ccc(C[NH+]2CC(CO)C2)c(Br)c1 ZINC001137638095 936379197 /nfs/dbraw/zinc/37/91/97/936379197.db2.gz PZIKMBLCXQKJEA-UHFFFAOYSA-N 1 2 281.153 1.745 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@]13C[C@H]1CCC3)O2 ZINC001053632327 936416247 /nfs/dbraw/zinc/41/62/47/936416247.db2.gz XJKOEGIRKJNOJX-JKIFEVAISA-N 1 2 290.407 1.712 20 30 CDEDLO COC(=O)CC[C@@H]1COCC[N@@H+]1[C@@H]1CC[C@H](C#N)C1 ZINC001254678537 936443977 /nfs/dbraw/zinc/44/39/77/936443977.db2.gz FIADSHLMKMHOOA-YNEHKIRRSA-N 1 2 266.341 1.333 20 30 CDEDLO COC(=O)CC[C@@H]1COCC[N@H+]1[C@@H]1CC[C@H](C#N)C1 ZINC001254678537 936443981 /nfs/dbraw/zinc/44/39/81/936443981.db2.gz FIADSHLMKMHOOA-YNEHKIRRSA-N 1 2 266.341 1.333 20 30 CDEDLO Cc1nc(NC/C=C\CNC(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001107096293 918010436 /nfs/dbraw/zinc/01/04/36/918010436.db2.gz IXKHQHXTYXJQCS-IHWYPQMZSA-N 1 2 296.334 1.383 20 30 CDEDLO C[C@H](C(=O)NCCc1[nH+]ccn1C)c1ccc(C#N)cc1 ZINC001182799280 918133735 /nfs/dbraw/zinc/13/37/35/918133735.db2.gz GRODORREOMFMBU-LBPRGKRZSA-N 1 2 282.347 1.754 20 30 CDEDLO N#Cc1ccccc1N1CC[NH+](Cc2cnc(N)nc2)CC1 ZINC001138159861 936481934 /nfs/dbraw/zinc/48/19/34/936481934.db2.gz IXWMRNWFBWANHX-UHFFFAOYSA-N 1 2 294.362 1.253 20 30 CDEDLO N#Cc1ccc(NC/C=C\CNC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001107312234 918329320 /nfs/dbraw/zinc/32/93/20/918329320.db2.gz MBOOMNKBXGHNCR-UPHRSURJSA-N 1 2 296.334 1.003 20 30 CDEDLO C#CCOc1ccc(C[N@H+](C)CC(C)=O)cc1OC ZINC001138343562 936522564 /nfs/dbraw/zinc/52/25/64/936522564.db2.gz MMHGBSZDYCXQNF-UHFFFAOYSA-N 1 2 261.321 1.728 20 30 CDEDLO C#CCOc1ccc(C[N@@H+](C)CC(C)=O)cc1OC ZINC001138343562 936522567 /nfs/dbraw/zinc/52/25/67/936522567.db2.gz MMHGBSZDYCXQNF-UHFFFAOYSA-N 1 2 261.321 1.728 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2C=CCC2)C1 ZINC001107726974 918696423 /nfs/dbraw/zinc/69/64/23/918696423.db2.gz SJSMHNALSAOWQO-RDJZCZTQSA-N 1 2 290.407 1.573 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2C=CCC2)C1 ZINC001107726974 918696427 /nfs/dbraw/zinc/69/64/27/918696427.db2.gz SJSMHNALSAOWQO-RDJZCZTQSA-N 1 2 290.407 1.573 20 30 CDEDLO N=C(c1ccccc1N)N(O)C(=O)CCc1ccc(N)[nH+]c1 ZINC001183934568 918750251 /nfs/dbraw/zinc/75/02/51/918750251.db2.gz LAQYOMHDBFELAC-UHFFFAOYSA-N 1 2 299.334 1.422 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@](C)(O)CC(C)C)CC1 ZINC001183968034 918796305 /nfs/dbraw/zinc/79/63/05/918796305.db2.gz PKMIDYPVGJCSKT-CQSZACIVSA-N 1 2 254.374 1.114 20 30 CDEDLO CCCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001050872077 936566327 /nfs/dbraw/zinc/56/63/27/936566327.db2.gz JDQROFKESHNBDE-CYBMUJFWSA-N 1 2 290.367 1.117 20 30 CDEDLO CCCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001050872077 936566328 /nfs/dbraw/zinc/56/63/28/936566328.db2.gz JDQROFKESHNBDE-CYBMUJFWSA-N 1 2 290.367 1.117 20 30 CDEDLO CC#CCCCC(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001185035402 919393172 /nfs/dbraw/zinc/39/31/72/919393172.db2.gz NFINZPSOMXUYKU-GFCCVEGCSA-N 1 2 292.408 1.422 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3nccnc3C#N)CC2)ccn1 ZINC001137415069 936592520 /nfs/dbraw/zinc/59/25/20/936592520.db2.gz BQASZEJRCBILTR-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001128088465 919854522 /nfs/dbraw/zinc/85/45/22/919854522.db2.gz YOTJZYPCDNMUJW-NSHDSACASA-N 1 2 292.383 1.913 20 30 CDEDLO COc1ncc(C[N@H+](C)Cc2cccc(C#N)c2)c(OC)n1 ZINC001139236549 936611080 /nfs/dbraw/zinc/61/10/80/936611080.db2.gz GKZGZMUZJWMKRV-UHFFFAOYSA-N 1 2 298.346 1.997 20 30 CDEDLO COc1ncc(C[N@@H+](C)Cc2cccc(C#N)c2)c(OC)n1 ZINC001139236549 936611081 /nfs/dbraw/zinc/61/10/81/936611081.db2.gz GKZGZMUZJWMKRV-UHFFFAOYSA-N 1 2 298.346 1.997 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccsn2)C1 ZINC001108017696 919958703 /nfs/dbraw/zinc/95/87/03/919958703.db2.gz WDQBZNBBYYMNKY-ZDUSSCGKSA-N 1 2 281.381 1.150 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccsn2)C1 ZINC001108017696 919958717 /nfs/dbraw/zinc/95/87/17/919958717.db2.gz WDQBZNBBYYMNKY-ZDUSSCGKSA-N 1 2 281.381 1.150 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC001139390068 936617523 /nfs/dbraw/zinc/61/75/23/936617523.db2.gz MHCSMEITUNLTRT-IYBDPMFKSA-N 1 2 297.402 1.764 20 30 CDEDLO C[C@H](C#N)S(=O)(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000715677703 920019158 /nfs/dbraw/zinc/01/91/58/920019158.db2.gz CWQBJFKEOAXFBL-TZMCWYRMSA-N 1 2 293.392 1.092 20 30 CDEDLO C[C@H](C#N)S(=O)(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000715677703 920019175 /nfs/dbraw/zinc/01/91/75/920019175.db2.gz CWQBJFKEOAXFBL-TZMCWYRMSA-N 1 2 293.392 1.092 20 30 CDEDLO C=CCn1cc(C[N@@H+]2CCN(C(C)=O)[C@H](C)C2)cn1 ZINC001139771235 936645623 /nfs/dbraw/zinc/64/56/23/936645623.db2.gz UGMJZBDMFTZEHS-GFCCVEGCSA-N 1 2 262.357 1.122 20 30 CDEDLO C=CCn1cc(C[N@H+]2CCN(C(C)=O)[C@H](C)C2)cn1 ZINC001139771235 936645624 /nfs/dbraw/zinc/64/56/24/936645624.db2.gz UGMJZBDMFTZEHS-GFCCVEGCSA-N 1 2 262.357 1.122 20 30 CDEDLO C=CCn1cc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)cn1 ZINC001139772351 936646016 /nfs/dbraw/zinc/64/60/16/936646016.db2.gz GCXRIEUZZRTUNU-ZDUSSCGKSA-N 1 2 264.348 1.297 20 30 CDEDLO C=CCn1cc(CN2CC([N@H+]3CC[C@H](F)C3)C2)cn1 ZINC001139772351 936646018 /nfs/dbraw/zinc/64/60/18/936646018.db2.gz GCXRIEUZZRTUNU-ZDUSSCGKSA-N 1 2 264.348 1.297 20 30 CDEDLO COCC#CC(=O)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001187127627 920375680 /nfs/dbraw/zinc/37/56/80/920375680.db2.gz CMMWRQPVVXWNET-INIZCTEOSA-N 1 2 284.359 1.078 20 30 CDEDLO COCC#CC(=O)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001187127627 920375693 /nfs/dbraw/zinc/37/56/93/920375693.db2.gz CMMWRQPVVXWNET-INIZCTEOSA-N 1 2 284.359 1.078 20 30 CDEDLO N#CC1(C(=O)N2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)CC1 ZINC001143176495 922172369 /nfs/dbraw/zinc/17/23/69/922172369.db2.gz FWONZQXBDDSSRI-HNNXBMFYSA-N 1 2 281.359 1.732 20 30 CDEDLO N#CC1(C(=O)N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)CC1 ZINC001143176495 922172376 /nfs/dbraw/zinc/17/23/76/922172376.db2.gz FWONZQXBDDSSRI-HNNXBMFYSA-N 1 2 281.359 1.732 20 30 CDEDLO C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)Nc1ccc(C#N)nc1 ZINC001099714070 936802975 /nfs/dbraw/zinc/80/29/75/936802975.db2.gz YPRXRFDAVBNDHN-NSHDSACASA-N 1 2 298.350 1.226 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)/C=C(/C)CC)[C@@H](O)C1 ZINC001099817930 936811395 /nfs/dbraw/zinc/81/13/95/936811395.db2.gz HLYXGFSHSHXDCJ-OAZPXDFESA-N 1 2 286.803 1.647 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)/C=C(/C)CC)[C@@H](O)C1 ZINC001099817930 936811398 /nfs/dbraw/zinc/81/13/98/936811398.db2.gz HLYXGFSHSHXDCJ-OAZPXDFESA-N 1 2 286.803 1.647 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](OCc2ccc(C#N)cc2)C[N@@H+]1C ZINC001205604510 923175190 /nfs/dbraw/zinc/17/51/90/923175190.db2.gz UBABEHJBAGKNTC-KGLIPLIRSA-N 1 2 274.320 1.321 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](OCc2ccc(C#N)cc2)C[N@H+]1C ZINC001205604510 923175199 /nfs/dbraw/zinc/17/51/99/923175199.db2.gz UBABEHJBAGKNTC-KGLIPLIRSA-N 1 2 274.320 1.321 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCC(F)F)[C@H](O)C1 ZINC001099918170 936819403 /nfs/dbraw/zinc/81/94/03/936819403.db2.gz HRNIZAZUXVOYCM-NXEZZACHSA-N 1 2 296.745 1.336 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCC(F)F)[C@H](O)C1 ZINC001099918170 936819405 /nfs/dbraw/zinc/81/94/05/936819405.db2.gz HRNIZAZUXVOYCM-NXEZZACHSA-N 1 2 296.745 1.336 20 30 CDEDLO C[C@H](C#N)S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001193159984 923507427 /nfs/dbraw/zinc/50/74/27/923507427.db2.gz VMGFMHBUYXUHLU-LLVKDONJSA-N 1 2 290.348 1.204 20 30 CDEDLO C[C@H](C#N)S(=O)(=O)NCc1c[nH+]cn1CC1CCC1 ZINC001193178545 923542642 /nfs/dbraw/zinc/54/26/42/923542642.db2.gz KNJSVZFIZQMWGL-SNVBAGLBSA-N 1 2 282.369 1.015 20 30 CDEDLO C#CCNc1cc(C[NH+]2CCN(C)CC2)ccc1OC ZINC001163372359 923685656 /nfs/dbraw/zinc/68/56/56/923685656.db2.gz MFLNDDAZMWFFBQ-UHFFFAOYSA-N 1 2 273.380 1.488 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1c[nH]nc1C ZINC001492999159 923807555 /nfs/dbraw/zinc/80/75/55/923807555.db2.gz YXWBNRZFVPQNOA-UHFFFAOYSA-N 1 2 270.764 1.522 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1c[nH]nc1C ZINC001492999159 923807564 /nfs/dbraw/zinc/80/75/64/923807564.db2.gz YXWBNRZFVPQNOA-UHFFFAOYSA-N 1 2 270.764 1.522 20 30 CDEDLO CC(C)(C)[NH+]1CC(NC(=O)c2cccc(C#N)c2O)C1 ZINC001193658643 923844999 /nfs/dbraw/zinc/84/49/99/923844999.db2.gz CMSCOPNYLUATRY-UHFFFAOYSA-N 1 2 273.336 1.476 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@](C)(F)CCCC)C1 ZINC001194275865 924122492 /nfs/dbraw/zinc/12/24/92/924122492.db2.gz XZZCKOJZSPDUQC-UMVBOHGHSA-N 1 2 284.375 1.089 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@](C)(F)CCCC)C1 ZINC001194275865 924122505 /nfs/dbraw/zinc/12/25/05/924122505.db2.gz XZZCKOJZSPDUQC-UMVBOHGHSA-N 1 2 284.375 1.089 20 30 CDEDLO C=CCCC(=O)N1CCC[N@@H+](Cc2cc(OC)no2)CC1 ZINC001195225524 924505300 /nfs/dbraw/zinc/50/53/00/924505300.db2.gz FNKSZBZLTGDJBN-UHFFFAOYSA-N 1 2 293.367 1.684 20 30 CDEDLO C=CCCC(=O)N1CCC[N@H+](Cc2cc(OC)no2)CC1 ZINC001195225524 924505309 /nfs/dbraw/zinc/50/53/09/924505309.db2.gz FNKSZBZLTGDJBN-UHFFFAOYSA-N 1 2 293.367 1.684 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@H]1O ZINC001195739488 924719737 /nfs/dbraw/zinc/71/97/37/924719737.db2.gz LYBAJCGGJCIZHS-ZIAGYGMSSA-N 1 2 293.367 1.001 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@H]1O ZINC001195739488 924719747 /nfs/dbraw/zinc/71/97/47/924719747.db2.gz LYBAJCGGJCIZHS-ZIAGYGMSSA-N 1 2 293.367 1.001 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccoc2CC)[C@H](OC)C1 ZINC001081608495 924775335 /nfs/dbraw/zinc/77/53/35/924775335.db2.gz JWOKIRPDECPYBY-UKRRQHHQSA-N 1 2 290.363 1.294 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccoc2CC)[C@H](OC)C1 ZINC001081608495 924775339 /nfs/dbraw/zinc/77/53/39/924775339.db2.gz JWOKIRPDECPYBY-UKRRQHHQSA-N 1 2 290.363 1.294 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(OC)cs3)[C@@H]2C1 ZINC001084569600 925287941 /nfs/dbraw/zinc/28/79/41/925287941.db2.gz BCVLAQRMDUMPLE-DGCLKSJQSA-N 1 2 290.388 1.536 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(OC)cs3)[C@@H]2C1 ZINC001084569600 925287947 /nfs/dbraw/zinc/28/79/47/925287947.db2.gz BCVLAQRMDUMPLE-DGCLKSJQSA-N 1 2 290.388 1.536 20 30 CDEDLO C#Cc1cncc(C(=O)NC[C@]2(C)C[N@H+](CC=C)CCO2)c1 ZINC001108202277 925788256 /nfs/dbraw/zinc/78/82/56/925788256.db2.gz AKQYRGFMMKCHEX-QGZVFWFLSA-N 1 2 299.374 1.070 20 30 CDEDLO C#Cc1cncc(C(=O)NC[C@]2(C)C[N@@H+](CC=C)CCO2)c1 ZINC001108202277 925788260 /nfs/dbraw/zinc/78/82/60/925788260.db2.gz AKQYRGFMMKCHEX-QGZVFWFLSA-N 1 2 299.374 1.070 20 30 CDEDLO Cc1nc(NC[C@@H]2CCCN2C(=O)C#CC(C)C)cc[nH+]1 ZINC001110542132 925816421 /nfs/dbraw/zinc/81/64/21/925816421.db2.gz PXLJUFNQFUXATR-AWEZNQCLSA-N 1 2 286.379 1.847 20 30 CDEDLO Cc1nc(N2CC[C@H](CCNC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001102324937 937052460 /nfs/dbraw/zinc/05/24/60/937052460.db2.gz XEMGWRNBCFJTMH-HNNXBMFYSA-N 1 2 298.390 1.531 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(F)cncc1F ZINC001085617921 926219577 /nfs/dbraw/zinc/21/95/77/926219577.db2.gz ZXOWFOVBVSCQMA-SNVBAGLBSA-N 1 2 279.290 1.139 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(F)cncc1F ZINC001085617921 926219586 /nfs/dbraw/zinc/21/95/86/926219586.db2.gz ZXOWFOVBVSCQMA-SNVBAGLBSA-N 1 2 279.290 1.139 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1conc1C(C)C ZINC001085636483 926236144 /nfs/dbraw/zinc/23/61/44/926236144.db2.gz RTORSJDHWLEWPW-CYBMUJFWSA-N 1 2 289.379 1.968 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1conc1C(C)C ZINC001085636483 926236148 /nfs/dbraw/zinc/23/61/48/926236148.db2.gz RTORSJDHWLEWPW-CYBMUJFWSA-N 1 2 289.379 1.968 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2c(cn1)CCCC2 ZINC001085709068 926307162 /nfs/dbraw/zinc/30/71/62/926307162.db2.gz XWIDPUVTYISLBW-INIZCTEOSA-N 1 2 297.402 1.740 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2c(cn1)CCCC2 ZINC001085709068 926307170 /nfs/dbraw/zinc/30/71/70/926307170.db2.gz XWIDPUVTYISLBW-INIZCTEOSA-N 1 2 297.402 1.740 20 30 CDEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1CCC ZINC001201636520 926350371 /nfs/dbraw/zinc/35/03/71/926350371.db2.gz BPVNDFACMLOLLE-ZDUSSCGKSA-N 1 2 264.373 1.810 20 30 CDEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1CCC ZINC001201636520 926350381 /nfs/dbraw/zinc/35/03/81/926350381.db2.gz BPVNDFACMLOLLE-ZDUSSCGKSA-N 1 2 264.373 1.810 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(CCC)[nH]n1 ZINC001085753689 926354874 /nfs/dbraw/zinc/35/48/74/926354874.db2.gz MPTMQSVSZSGXGK-ZDUSSCGKSA-N 1 2 276.384 1.695 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(CCC)[nH]n1 ZINC001085753689 926354883 /nfs/dbraw/zinc/35/48/83/926354883.db2.gz MPTMQSVSZSGXGK-ZDUSSCGKSA-N 1 2 276.384 1.695 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1C1CC1 ZINC001085784701 926393943 /nfs/dbraw/zinc/39/39/43/926393943.db2.gz AHWWBBDKQWKHED-ZDUSSCGKSA-N 1 2 272.348 1.937 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1C1CC1 ZINC001085784701 926393952 /nfs/dbraw/zinc/39/39/52/926393952.db2.gz AHWWBBDKQWKHED-ZDUSSCGKSA-N 1 2 272.348 1.937 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)cc(F)c1 ZINC001085835163 926437880 /nfs/dbraw/zinc/43/78/80/926437880.db2.gz DLJBNZGBSMRBAV-OAHLLOKOSA-N 1 2 274.339 1.914 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)cc(F)c1 ZINC001085835163 926437887 /nfs/dbraw/zinc/43/78/87/926437887.db2.gz DLJBNZGBSMRBAV-OAHLLOKOSA-N 1 2 274.339 1.914 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnoc1CC ZINC001085852543 926451173 /nfs/dbraw/zinc/45/11/73/926451173.db2.gz ZMCQOMKCTJTSEF-NSHDSACASA-N 1 2 261.325 1.017 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnoc1CC ZINC001085852543 926451177 /nfs/dbraw/zinc/45/11/77/926451177.db2.gz ZMCQOMKCTJTSEF-NSHDSACASA-N 1 2 261.325 1.017 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001108230120 926579108 /nfs/dbraw/zinc/57/91/08/926579108.db2.gz PAXXMMLZIUPPMA-IIAWOOMASA-N 1 2 278.396 1.263 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001108230120 926579110 /nfs/dbraw/zinc/57/91/10/926579110.db2.gz PAXXMMLZIUPPMA-IIAWOOMASA-N 1 2 278.396 1.263 20 30 CDEDLO Cc1nc(NC[C@](C)(NC(=O)[C@@H](C)C#N)C2CC2)cc[nH+]1 ZINC001103492600 937144879 /nfs/dbraw/zinc/14/48/79/937144879.db2.gz BRVRYXXRELUMQN-BONVTDFDSA-N 1 2 287.367 1.642 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CCOC)C1 ZINC001108409650 927526042 /nfs/dbraw/zinc/52/60/42/927526042.db2.gz YVBCIPQJANZCHS-DZGCQCFKSA-N 1 2 284.400 1.052 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CCOC)C1 ZINC001108409650 927526054 /nfs/dbraw/zinc/52/60/54/927526054.db2.gz YVBCIPQJANZCHS-DZGCQCFKSA-N 1 2 284.400 1.052 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852757713 927863378 /nfs/dbraw/zinc/86/33/78/927863378.db2.gz IELISFFJPPPAKQ-ZJUUUORDSA-N 1 2 264.291 1.951 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)SC ZINC001568474716 1169307271 /nfs/dbraw/zinc/30/72/71/1169307271.db2.gz PPFNHNHZUAKGLF-SNVBAGLBSA-N 1 2 264.822 1.881 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](C)SC ZINC001568474716 1169307280 /nfs/dbraw/zinc/30/72/80/1169307280.db2.gz PPFNHNHZUAKGLF-SNVBAGLBSA-N 1 2 264.822 1.881 20 30 CDEDLO Cc1cc(NC[C@H]2COCC[N@H+]2C)cc([N+](=O)[O-])c1C#N ZINC001169659894 928305101 /nfs/dbraw/zinc/30/51/01/928305101.db2.gz JWTSFXSEUHTHCD-LBPRGKRZSA-N 1 2 290.323 1.517 20 30 CDEDLO Cc1cc(NC[C@H]2COCC[N@@H+]2C)cc([N+](=O)[O-])c1C#N ZINC001169659894 928305116 /nfs/dbraw/zinc/30/51/16/928305116.db2.gz JWTSFXSEUHTHCD-LBPRGKRZSA-N 1 2 290.323 1.517 20 30 CDEDLO C#CCNC(=O)C[N@H+]1Cc2ccccc2OC[C@@H]1C ZINC000782525268 937253917 /nfs/dbraw/zinc/25/39/17/937253917.db2.gz VJGKCSDXIWLRSP-LBPRGKRZSA-N 1 2 258.321 1.019 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1Cc2ccccc2OC[C@@H]1C ZINC000782525268 937253920 /nfs/dbraw/zinc/25/39/20/937253920.db2.gz VJGKCSDXIWLRSP-LBPRGKRZSA-N 1 2 258.321 1.019 20 30 CDEDLO C[C@@H](CNc1ncccc1C#N)NC(=O)CCc1c[nH]c[nH+]1 ZINC001108763130 928629405 /nfs/dbraw/zinc/62/94/05/928629405.db2.gz SFYLTHLCQLCEMT-NSHDSACASA-N 1 2 298.350 1.226 20 30 CDEDLO C[C@@H](CNc1ncccc1C#N)NC(=O)CCc1c[nH+]c[nH]1 ZINC001108763130 928629411 /nfs/dbraw/zinc/62/94/11/928629411.db2.gz SFYLTHLCQLCEMT-NSHDSACASA-N 1 2 298.350 1.226 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](OC)C1CC1)C2 ZINC001109226497 928843934 /nfs/dbraw/zinc/84/39/34/928843934.db2.gz SXPANTBNDMYDHN-ZOBORPQBSA-N 1 2 298.814 1.885 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](OC)C1CC1)C2 ZINC001109226497 928843946 /nfs/dbraw/zinc/84/39/46/928843946.db2.gz SXPANTBNDMYDHN-ZOBORPQBSA-N 1 2 298.814 1.885 20 30 CDEDLO C=C[C@H](CC)CC(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001151970744 937323275 /nfs/dbraw/zinc/32/32/75/937323275.db2.gz RLXUKIHLOPAGFJ-TZMCWYRMSA-N 1 2 294.395 1.485 20 30 CDEDLO CC(C)(C)C#CC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001112834077 929470438 /nfs/dbraw/zinc/47/04/38/929470438.db2.gz ALFZXQAZKFVJNF-UHFFFAOYSA-N 1 2 288.395 1.077 20 30 CDEDLO C=C(C)CCC(=O)N1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC001112901463 929552125 /nfs/dbraw/zinc/55/21/25/929552125.db2.gz OMBILYQTGJZBTL-CQSZACIVSA-N 1 2 293.411 1.108 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@H](OCC)C(C)C)CC1 ZINC001112963903 929607219 /nfs/dbraw/zinc/60/72/19/929607219.db2.gz DNKISHYTHUUEPF-AWEZNQCLSA-N 1 2 268.401 1.768 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)c1ccccc1 ZINC000884044385 930408550 /nfs/dbraw/zinc/40/85/50/930408550.db2.gz GCMXHDRCWYWGCE-ZDUSSCGKSA-N 1 2 276.336 1.486 20 30 CDEDLO C=CCO[C@H](C)C(=O)NCC[NH2+]Cc1ncc(C(C)C)o1 ZINC001153149304 937423284 /nfs/dbraw/zinc/42/32/84/937423284.db2.gz VEYICOAKEVVPAH-GFCCVEGCSA-N 1 2 295.383 1.595 20 30 CDEDLO C#CCn1ccc(CN(CC)C(=O)[C@@H](C)n2cc[nH+]c2)n1 ZINC001116859527 937476676 /nfs/dbraw/zinc/47/66/76/937476676.db2.gz KYLQFBTXYMMNOV-CYBMUJFWSA-N 1 2 285.351 1.323 20 30 CDEDLO C[C@@H](CNC(=O)Cc1ccccc1CC#N)Cn1cc[nH+]c1 ZINC000777407033 931466237 /nfs/dbraw/zinc/46/62/37/931466237.db2.gz LJQNTQQLZBMWFI-AWEZNQCLSA-N 1 2 296.374 1.944 20 30 CDEDLO C#CCN1C[C@@]2(CC1=O)CCCCN2c1cccc[nH+]1 ZINC001274739260 931563661 /nfs/dbraw/zinc/56/36/61/931563661.db2.gz DHMHBHOVRQNTCC-INIZCTEOSA-N 1 2 269.348 1.676 20 30 CDEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001274856284 931594802 /nfs/dbraw/zinc/59/48/02/931594802.db2.gz XYVSUQGFWGQMNF-AWEZNQCLSA-N 1 2 298.390 1.791 20 30 CDEDLO N#Cc1cncc(CN2CC3(CC[N@@H+]3Cc3ccc[nH]3)C2)c1 ZINC001275027091 931636046 /nfs/dbraw/zinc/63/60/46/931636046.db2.gz FNULHIWTKNBBIL-UHFFFAOYSA-N 1 2 293.374 1.742 20 30 CDEDLO N#Cc1cncc(CN2CC3(CC[N@H+]3Cc3ccc[nH]3)C2)c1 ZINC001275027091 931636050 /nfs/dbraw/zinc/63/60/50/931636050.db2.gz FNULHIWTKNBBIL-UHFFFAOYSA-N 1 2 293.374 1.742 20 30 CDEDLO N#Cc1cccc(CN2CC3(CC[N@@H+]3Cc3ccc[nH]3)C2)n1 ZINC001275606136 931905522 /nfs/dbraw/zinc/90/55/22/931905522.db2.gz WTZWENMMAHXJRA-UHFFFAOYSA-N 1 2 293.374 1.742 20 30 CDEDLO N#Cc1cccc(CN2CC3(CC[N@H+]3Cc3ccc[nH]3)C2)n1 ZINC001275606136 931905525 /nfs/dbraw/zinc/90/55/25/931905525.db2.gz WTZWENMMAHXJRA-UHFFFAOYSA-N 1 2 293.374 1.742 20 30 CDEDLO C=CCC1(O)CCN(C(=O)CNc2cccc[nH+]2)CC1 ZINC000924441357 932792747 /nfs/dbraw/zinc/79/27/47/932792747.db2.gz YJVCKCHSXMOMQY-UHFFFAOYSA-N 1 2 275.352 1.423 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NC)cc1C ZINC001119524842 937728096 /nfs/dbraw/zinc/72/80/96/937728096.db2.gz BEHJOJZJMUXSLJ-HNNXBMFYSA-N 1 2 299.374 1.391 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NC)cc1C ZINC001119524842 937728099 /nfs/dbraw/zinc/72/80/99/937728099.db2.gz BEHJOJZJMUXSLJ-HNNXBMFYSA-N 1 2 299.374 1.391 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(C)no3)C[C@H]21 ZINC001114752879 934954664 /nfs/dbraw/zinc/95/46/64/934954664.db2.gz MKPNDBWIHVQXEA-JYAVWHMHSA-N 1 2 290.367 1.281 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(C)no3)C[C@H]21 ZINC001114752879 934954669 /nfs/dbraw/zinc/95/46/69/934954669.db2.gz MKPNDBWIHVQXEA-JYAVWHMHSA-N 1 2 290.367 1.281 20 30 CDEDLO Cn1c[nH+]c(CCNC(=O)Nc2cccc(C#N)c2)c1 ZINC001202790642 935671061 /nfs/dbraw/zinc/67/10/61/935671061.db2.gz GRYUUKPDTSLOKB-UHFFFAOYSA-N 1 2 269.308 1.656 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cncc(C3CC3)c2)CC1 ZINC001238183963 945124657 /nfs/dbraw/zinc/12/46/57/945124657.db2.gz GIRFAQOQKHVWSE-UHFFFAOYSA-N 1 2 270.380 1.990 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccccc2-n2cccn2)C1 ZINC001043969456 935847090 /nfs/dbraw/zinc/84/70/90/935847090.db2.gz YLJGLZNONJBNLR-UHFFFAOYSA-N 1 2 296.374 1.815 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnn1C)C2 ZINC001096869791 936229924 /nfs/dbraw/zinc/22/99/24/936229924.db2.gz CVFJWMXIISBTMJ-UTUOFQBUSA-N 1 2 294.786 1.508 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnn1C)C2 ZINC001096869791 936229926 /nfs/dbraw/zinc/22/99/26/936229926.db2.gz CVFJWMXIISBTMJ-UTUOFQBUSA-N 1 2 294.786 1.508 20 30 CDEDLO N#C[C@H]1CCCN(C(=O)c2ccc3[nH+]c(N)[nH]c3c2)C1 ZINC001156969697 938440605 /nfs/dbraw/zinc/44/06/05/938440605.db2.gz IOROQBIHTTVZOC-SECBINFHSA-N 1 2 269.308 1.521 20 30 CDEDLO N#Cc1ncc(N(C(N)=[NH2+])c2ccc(F)cc2)nc1C#N ZINC001157230303 938468304 /nfs/dbraw/zinc/46/83/04/938468304.db2.gz CMWRRDGFABIANM-UHFFFAOYSA-N 1 2 281.254 1.391 20 30 CDEDLO N#Cc1nccnc1NCc1c[nH+]cn1CC1CCC1 ZINC001161529994 938908765 /nfs/dbraw/zinc/90/87/65/938908765.db2.gz SCLWIFANQQFXPN-UHFFFAOYSA-N 1 2 268.324 1.957 20 30 CDEDLO N#Cc1ncc(NCc2ccc3[nH+]ccn3c2)nc1C#N ZINC001163140672 939210957 /nfs/dbraw/zinc/21/09/57/939210957.db2.gz KNRZSCPKCJEQKD-UHFFFAOYSA-N 1 2 275.275 1.480 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(N3CCCNC(=O)C3)c2c1 ZINC001164279121 939444842 /nfs/dbraw/zinc/44/48/42/939444842.db2.gz VOPQAQPSVUHZBV-UHFFFAOYSA-N 1 2 266.304 1.433 20 30 CDEDLO N#CCCN1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203879369 939710944 /nfs/dbraw/zinc/71/09/44/939710944.db2.gz OKXBVMCYPFWTBS-UHFFFAOYSA-N 1 2 261.325 1.129 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2cnn(C)c2C)CC1 ZINC001204577483 939776828 /nfs/dbraw/zinc/77/68/28/939776828.db2.gz VZKSUJSGTIYRAI-UHFFFAOYSA-N 1 2 276.340 1.007 20 30 CDEDLO Nc1ccccc1C(NO)=[NH+]c1ccn2ccnc2c1 ZINC001204991788 939811916 /nfs/dbraw/zinc/81/19/16/939811916.db2.gz VNSXOEPMMUMJGL-UHFFFAOYSA-N 1 2 267.292 1.974 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=C)Cl)C[C@H]1C ZINC001206963498 940118256 /nfs/dbraw/zinc/11/82/56/940118256.db2.gz GPSUKAYJINKODJ-KGYLQXTDSA-N 1 2 284.787 1.214 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=C)Cl)C[C@H]1C ZINC001206963498 940118258 /nfs/dbraw/zinc/11/82/58/940118258.db2.gz GPSUKAYJINKODJ-KGYLQXTDSA-N 1 2 284.787 1.214 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c3ccccc3nn2C)CC1 ZINC001209541396 940602922 /nfs/dbraw/zinc/60/29/22/940602922.db2.gz YWOLMEWNZCNLTD-UHFFFAOYSA-N 1 2 268.364 1.324 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001213498094 940776450 /nfs/dbraw/zinc/77/64/50/940776450.db2.gz WJXBREDIRWHOEF-VXGBXAGGSA-N 1 2 272.364 1.374 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001213498094 940776453 /nfs/dbraw/zinc/77/64/53/940776453.db2.gz WJXBREDIRWHOEF-VXGBXAGGSA-N 1 2 272.364 1.374 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](F)CCCCCC)[C@@H](O)C1 ZINC001220761772 941469480 /nfs/dbraw/zinc/46/94/80/941469480.db2.gz CHCCGIBQJLFZCR-KFWWJZLASA-N 1 2 298.402 1.480 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](F)CCCCCC)[C@@H](O)C1 ZINC001220761772 941469483 /nfs/dbraw/zinc/46/94/83/941469483.db2.gz CHCCGIBQJLFZCR-KFWWJZLASA-N 1 2 298.402 1.480 20 30 CDEDLO C#CCC[NH+]1CCC(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001223266253 941666544 /nfs/dbraw/zinc/66/65/44/941666544.db2.gz QOIKUVBTHVZRPC-LLVKDONJSA-N 1 2 294.292 1.738 20 30 CDEDLO C#CCC[NH+]1CCC(CNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001223266253 941666545 /nfs/dbraw/zinc/66/65/45/941666545.db2.gz QOIKUVBTHVZRPC-LLVKDONJSA-N 1 2 294.292 1.738 20 30 CDEDLO COc1cccc(CC#N)c1OC[C@H]1C[N@H+](C)CCO1 ZINC001225842128 941920576 /nfs/dbraw/zinc/92/05/76/941920576.db2.gz VKQJTDUECVNWBR-CYBMUJFWSA-N 1 2 276.336 1.471 20 30 CDEDLO COc1cccc(CC#N)c1OC[C@H]1C[N@@H+](C)CCO1 ZINC001225842128 941920580 /nfs/dbraw/zinc/92/05/80/941920580.db2.gz VKQJTDUECVNWBR-CYBMUJFWSA-N 1 2 276.336 1.471 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2cc(C#N)ccc2F)C1 ZINC001227057671 942123304 /nfs/dbraw/zinc/12/33/04/942123304.db2.gz FHWXSIDUWFLWSZ-NSHDSACASA-N 1 2 250.273 1.407 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2cc(C#N)ccc2F)C1 ZINC001227057671 942123306 /nfs/dbraw/zinc/12/33/06/942123306.db2.gz FHWXSIDUWFLWSZ-NSHDSACASA-N 1 2 250.273 1.407 20 30 CDEDLO N#CC1(NC(=O)[C@@]23C[C@@H]2CC[N@@H+]3Cc2ccoc2)CCC1 ZINC001277182042 942136040 /nfs/dbraw/zinc/13/60/40/942136040.db2.gz HYEAIMVULBCJFZ-XJKSGUPXSA-N 1 2 285.347 1.806 20 30 CDEDLO N#CC1(NC(=O)[C@@]23C[C@@H]2CC[N@H+]3Cc2ccoc2)CCC1 ZINC001277182042 942136044 /nfs/dbraw/zinc/13/60/44/942136044.db2.gz HYEAIMVULBCJFZ-XJKSGUPXSA-N 1 2 285.347 1.806 20 30 CDEDLO C=CCc1ccc(O)c(OC[C@H]2C[N@H+](C)CCO2)c1 ZINC001229338208 942454796 /nfs/dbraw/zinc/45/47/96/942454796.db2.gz AWQDRZULHHMGET-CYBMUJFWSA-N 1 2 263.337 1.830 20 30 CDEDLO C=CCc1ccc(O)c(OC[C@H]2C[N@@H+](C)CCO2)c1 ZINC001229338208 942454799 /nfs/dbraw/zinc/45/47/99/942454799.db2.gz AWQDRZULHHMGET-CYBMUJFWSA-N 1 2 263.337 1.830 20 30 CDEDLO COCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001230539174 942634709 /nfs/dbraw/zinc/63/47/09/942634709.db2.gz RTGYQEDLGRKZCY-INIZCTEOSA-N 1 2 286.375 1.217 20 30 CDEDLO COCC(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001230539174 942634710 /nfs/dbraw/zinc/63/47/10/942634710.db2.gz RTGYQEDLGRKZCY-INIZCTEOSA-N 1 2 286.375 1.217 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc[nH]c4cc(=O)ccc3-4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001231116639 942790767 /nfs/dbraw/zinc/79/07/67/942790767.db2.gz OXOFCJFUVPCCMD-BSRWDCPYSA-N 1 2 299.330 1.327 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc[nH]c4cc(=O)ccc3-4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001231116639 942790770 /nfs/dbraw/zinc/79/07/70/942790770.db2.gz OXOFCJFUVPCCMD-BSRWDCPYSA-N 1 2 299.330 1.327 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCC1CC1 ZINC001231271672 942841107 /nfs/dbraw/zinc/84/11/07/942841107.db2.gz KNDUYMYAALNZMD-CQSZACIVSA-N 1 2 293.411 1.012 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC1CC1 ZINC001231271672 942841113 /nfs/dbraw/zinc/84/11/13/942841113.db2.gz KNDUYMYAALNZMD-CQSZACIVSA-N 1 2 293.411 1.012 20 30 CDEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(C#N)ccn1 ZINC001362151954 970950015 /nfs/dbraw/zinc/95/00/15/970950015.db2.gz PFFXWEZKEOYDMC-CQSZACIVSA-N 1 2 297.362 1.994 20 30 CDEDLO C#Cc1cccc(C[NH+]2CCN(C(=O)C3CC3)CC2)c1 ZINC001231659471 942964603 /nfs/dbraw/zinc/96/46/03/942964603.db2.gz MUGYWOHSLNRNPZ-UHFFFAOYSA-N 1 2 268.360 1.722 20 30 CDEDLO C#C[C@@H]1CCC[N@@H+](Cc2[nH]cnc2C(=O)OCC)C1 ZINC001232920381 943433264 /nfs/dbraw/zinc/43/32/64/943433264.db2.gz SFUAXYWKWJHLAN-LLVKDONJSA-N 1 2 261.325 1.432 20 30 CDEDLO C#C[C@@H]1CCC[N@H+](Cc2[nH]cnc2C(=O)OCC)C1 ZINC001232920381 943433267 /nfs/dbraw/zinc/43/32/67/943433267.db2.gz SFUAXYWKWJHLAN-LLVKDONJSA-N 1 2 261.325 1.432 20 30 CDEDLO N#Cc1ccnc(N2CC[NH+](Cc3cccc(N)n3)CC2)c1 ZINC001233371778 943561719 /nfs/dbraw/zinc/56/17/19/943561719.db2.gz ILAGBQQZXCNHQU-UHFFFAOYSA-N 1 2 294.362 1.253 20 30 CDEDLO C[N@H+](Cc1ccncn1)Cc1ccc(C#N)cc1O ZINC001233388344 943575551 /nfs/dbraw/zinc/57/55/51/943575551.db2.gz VUMAGZXBTKTKQZ-UHFFFAOYSA-N 1 2 254.293 1.686 20 30 CDEDLO C[N@@H+](Cc1ccncn1)Cc1ccc(C#N)cc1O ZINC001233388344 943575555 /nfs/dbraw/zinc/57/55/55/943575555.db2.gz VUMAGZXBTKTKQZ-UHFFFAOYSA-N 1 2 254.293 1.686 20 30 CDEDLO C=CCCCC[N@H+]1Cc2ccnn2CC[C@@H]1C(N)=O ZINC001277788925 943610480 /nfs/dbraw/zinc/61/04/80/943610480.db2.gz IBNGYPAZAATKBM-CYBMUJFWSA-N 1 2 262.357 1.299 20 30 CDEDLO C=CCCCC[N@@H+]1Cc2ccnn2CC[C@@H]1C(N)=O ZINC001277788925 943610481 /nfs/dbraw/zinc/61/04/81/943610481.db2.gz IBNGYPAZAATKBM-CYBMUJFWSA-N 1 2 262.357 1.299 20 30 CDEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CCN1Cc1c[nH+]cn1C ZINC001234118159 943746543 /nfs/dbraw/zinc/74/65/43/943746543.db2.gz GCUBHDPGCIXLHN-AWEZNQCLSA-N 1 2 288.395 1.112 20 30 CDEDLO COc1c(F)c(F)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001234200724 943775042 /nfs/dbraw/zinc/77/50/42/943775042.db2.gz OCSNOMRWTYGUFB-LEGMNPEXSA-N 1 2 297.301 1.965 20 30 CDEDLO COc1c(F)c(F)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001234200724 943775047 /nfs/dbraw/zinc/77/50/47/943775047.db2.gz OCSNOMRWTYGUFB-LEGMNPEXSA-N 1 2 297.301 1.965 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)OCCCc1c[nH+]cn1C ZINC001263510756 943883630 /nfs/dbraw/zinc/88/36/30/943883630.db2.gz ODDSFJFISXKPKL-OLZOCXBDSA-N 1 2 264.325 1.487 20 30 CDEDLO N#CCCC[NH+]1CC2(CCN2C(=O)Cc2ccsc2)C1 ZINC001277941554 944139259 /nfs/dbraw/zinc/13/92/59/944139259.db2.gz QLXNNNJCZHWNRN-UHFFFAOYSA-N 1 2 289.404 1.881 20 30 CDEDLO C=CCc1cccc(C[N@@H+]2CCn3cnc(CO)c3C2)c1O ZINC001235504677 944178749 /nfs/dbraw/zinc/17/87/49/944178749.db2.gz WNCANXPXIFKVLP-UHFFFAOYSA-N 1 2 299.374 1.825 20 30 CDEDLO C=CCc1cccc(C[N@H+]2CCn3cnc(CO)c3C2)c1O ZINC001235504677 944178752 /nfs/dbraw/zinc/17/87/52/944178752.db2.gz WNCANXPXIFKVLP-UHFFFAOYSA-N 1 2 299.374 1.825 20 30 CDEDLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235652394 944233002 /nfs/dbraw/zinc/23/30/02/944233002.db2.gz WLGGHXKVKMEFRY-SCZZXKLOSA-N 1 2 252.264 1.792 20 30 CDEDLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235652394 944233007 /nfs/dbraw/zinc/23/30/07/944233007.db2.gz WLGGHXKVKMEFRY-SCZZXKLOSA-N 1 2 252.264 1.792 20 30 CDEDLO C=CCOCC(=O)NCCC[N@@H+](C)C/C(Cl)=C\Cl ZINC001235699508 944255563 /nfs/dbraw/zinc/25/55/63/944255563.db2.gz XQIKRXNYGIXUSC-DHZHZOJOSA-N 1 2 295.210 1.946 20 30 CDEDLO C=CCOCC(=O)NCCC[N@H+](C)C/C(Cl)=C\Cl ZINC001235699508 944255574 /nfs/dbraw/zinc/25/55/74/944255574.db2.gz XQIKRXNYGIXUSC-DHZHZOJOSA-N 1 2 295.210 1.946 20 30 CDEDLO CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC001237469668 944802413 /nfs/dbraw/zinc/80/24/13/944802413.db2.gz DGWRAEFTULWZJJ-HNNXBMFYSA-N 1 2 286.379 1.834 20 30 CDEDLO CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccnc(C#N)c1 ZINC001237469668 944802419 /nfs/dbraw/zinc/80/24/19/944802419.db2.gz DGWRAEFTULWZJJ-HNNXBMFYSA-N 1 2 286.379 1.834 20 30 CDEDLO N#Cc1ccc2nc(C[NH+]3CC4(C3)CCCOC4)cn2c1 ZINC001237604627 944875094 /nfs/dbraw/zinc/87/50/94/944875094.db2.gz QFJHUVHLDPLESQ-UHFFFAOYSA-N 1 2 282.347 1.818 20 30 CDEDLO C[C@H]1CC(=O)C=C(c2ncnc3c2C[N@H+](C)CC3)C1 ZINC001242741215 946863328 /nfs/dbraw/zinc/86/33/28/946863328.db2.gz XAXILUKWDRBUOG-SNVBAGLBSA-N 1 2 257.337 1.847 20 30 CDEDLO C[C@H]1CC(=O)C=C(c2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001242741215 946863341 /nfs/dbraw/zinc/86/33/41/946863341.db2.gz XAXILUKWDRBUOG-SNVBAGLBSA-N 1 2 257.337 1.847 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)NCCc1c[nH+]cn1C ZINC001256645877 948380763 /nfs/dbraw/zinc/38/07/63/948380763.db2.gz YSCLITWHLDKPHA-UHFFFAOYSA-N 1 2 268.320 1.573 20 30 CDEDLO C=CC[C@H]([NH2+][C@@H]1CC[C@@H](C(=O)OCC)C1)C(=O)OC ZINC001257030563 948487446 /nfs/dbraw/zinc/48/74/46/948487446.db2.gz VAMXSWILGLDHGM-UTUOFQBUSA-N 1 2 269.341 1.426 20 30 CDEDLO C=CC[NH+]1CCN(C(=S)NCC(C)(C)C)CC1 ZINC001247960045 948895017 /nfs/dbraw/zinc/89/50/17/948895017.db2.gz QTXKELDTSMPBQD-UHFFFAOYSA-N 1 2 255.431 1.711 20 30 CDEDLO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001248751528 949119272 /nfs/dbraw/zinc/11/92/72/949119272.db2.gz YYKDEDIRZKMOPJ-OAHLLOKOSA-N 1 2 292.404 1.740 20 30 CDEDLO CCc1cc(C#N)ccc1C[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001248751528 949119285 /nfs/dbraw/zinc/11/92/85/949119285.db2.gz YYKDEDIRZKMOPJ-OAHLLOKOSA-N 1 2 292.404 1.740 20 30 CDEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1nonc1C)CC2 ZINC001248858016 949227293 /nfs/dbraw/zinc/22/72/93/949227293.db2.gz ZFSFETHMZXRNDB-UHFFFAOYSA-N 1 2 290.367 1.521 20 30 CDEDLO C[N@H+](Cc1cnn2ccc(C#N)cc12)C1(C)COC1 ZINC001249113768 949392270 /nfs/dbraw/zinc/39/22/70/949392270.db2.gz OAAGLIFPBQSIPE-UHFFFAOYSA-N 1 2 256.309 1.427 20 30 CDEDLO C[N@@H+](Cc1cnn2ccc(C#N)cc12)C1(C)COC1 ZINC001249113768 949392291 /nfs/dbraw/zinc/39/22/91/949392291.db2.gz OAAGLIFPBQSIPE-UHFFFAOYSA-N 1 2 256.309 1.427 20 30 CDEDLO O=C1C=C2C[N@H+](C[C@H](O)C(F)(F)F)CC[C@H]2S1 ZINC001250966201 950495251 /nfs/dbraw/zinc/49/52/51/950495251.db2.gz UEKQZIZDHQGTQU-SFYZADRCSA-N 1 2 267.272 1.184 20 30 CDEDLO O=C1C=C2C[N@@H+](C[C@H](O)C(F)(F)F)CC[C@H]2S1 ZINC001250966201 950495259 /nfs/dbraw/zinc/49/52/59/950495259.db2.gz UEKQZIZDHQGTQU-SFYZADRCSA-N 1 2 267.272 1.184 20 30 CDEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+]C[C@@H](O)COCC ZINC001252045013 951095153 /nfs/dbraw/zinc/09/51/53/951095153.db2.gz IMYHEGOIFRQMMH-OLZOCXBDSA-N 1 2 273.373 1.117 20 30 CDEDLO C=CCOC[C@@H](O)C[NH2+]C1(c2ccccc2OC)COC1 ZINC001252492230 951364128 /nfs/dbraw/zinc/36/41/28/951364128.db2.gz BTABLFFXIWSFHG-ZDUSSCGKSA-N 1 2 293.363 1.074 20 30 CDEDLO C=CCC[C@H](O)CNc1cc(N2CCOCC2)nc[nH+]1 ZINC001252587800 951481865 /nfs/dbraw/zinc/48/18/65/951481865.db2.gz HQJKXQYABITTOU-LBPRGKRZSA-N 1 2 278.356 1.052 20 30 CDEDLO C=CCC[C@H](O)CNc1cc(N2CCOCC2)[nH+]cn1 ZINC001252587800 951481877 /nfs/dbraw/zinc/48/18/77/951481877.db2.gz HQJKXQYABITTOU-LBPRGKRZSA-N 1 2 278.356 1.052 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001493071076 971936789 /nfs/dbraw/zinc/93/67/89/971936789.db2.gz BMRUOEYRDBAIMW-LBPRGKRZSA-N 1 2 298.818 1.714 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001493071076 971936792 /nfs/dbraw/zinc/93/67/92/971936792.db2.gz BMRUOEYRDBAIMW-LBPRGKRZSA-N 1 2 298.818 1.714 20 30 CDEDLO C#CC[C@@H]([NH2+]C1CCC(OCC)CC1)C(=O)OC ZINC001328199936 955222781 /nfs/dbraw/zinc/22/27/81/955222781.db2.gz AHLHKACYEMNSQG-WXRRBKDZSA-N 1 2 253.342 1.489 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCc1cncnc1 ZINC001492339370 955807870 /nfs/dbraw/zinc/80/78/70/955807870.db2.gz ZDUJTVDEZOSRGU-UHFFFAOYSA-N 1 2 282.775 1.210 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCc1cncnc1 ZINC001492339370 955807880 /nfs/dbraw/zinc/80/78/80/955807880.db2.gz ZDUJTVDEZOSRGU-UHFFFAOYSA-N 1 2 282.775 1.210 20 30 CDEDLO CCc1[nH]c(CNC(=O)C#Cc2ccc3c(c2)OCO3)c[nH+]1 ZINC001303972343 956141314 /nfs/dbraw/zinc/14/13/14/956141314.db2.gz BMYIGLCGOSBLAJ-UHFFFAOYSA-N 1 2 297.314 1.369 20 30 CDEDLO CCc1[nH]cc(CNC(=O)C#Cc2ccc3c(c2)OCO3)[nH+]1 ZINC001303972343 956141320 /nfs/dbraw/zinc/14/13/20/956141320.db2.gz BMYIGLCGOSBLAJ-UHFFFAOYSA-N 1 2 297.314 1.369 20 30 CDEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccn1 ZINC001307796723 956439977 /nfs/dbraw/zinc/43/99/77/956439977.db2.gz QAHKGDRJDGXQHG-UHFFFAOYSA-N 1 2 258.325 1.076 20 30 CDEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccn1 ZINC001307796723 956439985 /nfs/dbraw/zinc/43/99/85/956439985.db2.gz QAHKGDRJDGXQHG-UHFFFAOYSA-N 1 2 258.325 1.076 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(CCNC(=O)c2cnn[nH]2)CC1 ZINC001367209991 957847759 /nfs/dbraw/zinc/84/77/59/957847759.db2.gz PVXMGURNKNPJQX-UHFFFAOYSA-N 1 2 297.790 1.389 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)CCCn2ccnc2C)C1 ZINC001318360087 958057578 /nfs/dbraw/zinc/05/75/78/958057578.db2.gz FDJFBUOGFDUPGN-OAHLLOKOSA-N 1 2 288.395 1.186 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)CCCn2ccnc2C)C1 ZINC001318360087 958057590 /nfs/dbraw/zinc/05/75/90/958057590.db2.gz FDJFBUOGFDUPGN-OAHLLOKOSA-N 1 2 288.395 1.186 20 30 CDEDLO C=CCOCCNc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC001333749544 958564400 /nfs/dbraw/zinc/56/44/00/958564400.db2.gz VHBLBCYSCYBGFU-NSHDSACASA-N 1 2 266.345 1.274 20 30 CDEDLO C=CCOCCNc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC001333749544 958564413 /nfs/dbraw/zinc/56/44/13/958564413.db2.gz VHBLBCYSCYBGFU-NSHDSACASA-N 1 2 266.345 1.274 20 30 CDEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1cccnc1Cl ZINC001320282681 959045437 /nfs/dbraw/zinc/04/54/37/959045437.db2.gz WAAUOINFFONOAX-UHFFFAOYSA-N 1 2 281.743 1.255 20 30 CDEDLO C#CCOCC[N@H+](C)CC(=O)Nc1cccnc1Cl ZINC001320282681 959045440 /nfs/dbraw/zinc/04/54/40/959045440.db2.gz WAAUOINFFONOAX-UHFFFAOYSA-N 1 2 281.743 1.255 20 30 CDEDLO C=CC[C@@H]([NH2+]C1CCN(C(=O)N(C)C)CC1)C(=O)OCC ZINC001320766648 959377536 /nfs/dbraw/zinc/37/75/36/959377536.db2.gz JMIHBAIYALKNNK-CYBMUJFWSA-N 1 2 297.399 1.230 20 30 CDEDLO C#CCOc1ccccc1CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001322885110 960354371 /nfs/dbraw/zinc/35/43/71/960354371.db2.gz FISHSIVZPNDCQJ-ZDUSSCGKSA-N 1 2 283.331 1.773 20 30 CDEDLO Cc1cc(NC(=O)NCc2ccc[nH+]c2N)ncc1C#N ZINC001434739256 961842044 /nfs/dbraw/zinc/84/20/44/961842044.db2.gz WGUMWSJKNTYSFT-UHFFFAOYSA-N 1 2 282.307 1.561 20 30 CDEDLO Cc1cnc(C[NH+]2CCC(N(C)C(=O)[C@@H](C)C#N)CC2)o1 ZINC001436664332 962330102 /nfs/dbraw/zinc/33/01/02/962330102.db2.gz PSXFTWRUNSGOLJ-NSHDSACASA-N 1 2 290.367 1.566 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C(C)(F)F)n2CC)CC1 ZINC001339950171 962645856 /nfs/dbraw/zinc/64/58/56/962645856.db2.gz BLPYSERTKMTPEG-UHFFFAOYSA-N 1 2 283.326 1.165 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C1(F)CCOCC1 ZINC001420401157 962861431 /nfs/dbraw/zinc/86/14/31/962861431.db2.gz VAIROHIMKXZGDJ-UHFFFAOYSA-N 1 2 292.782 1.696 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C1(F)CCOCC1 ZINC001420401157 962861443 /nfs/dbraw/zinc/86/14/43/962861443.db2.gz VAIROHIMKXZGDJ-UHFFFAOYSA-N 1 2 292.782 1.696 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CO[C@@H](C)CC)C1 ZINC001421127661 963467343 /nfs/dbraw/zinc/46/73/43/963467343.db2.gz VYCPPVHOZZMVCS-NSHDSACASA-N 1 2 274.792 1.602 20 30 CDEDLO C#CCN(CC1CC1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC001343598000 964057830 /nfs/dbraw/zinc/05/78/30/964057830.db2.gz BYSWUCRGCJDSNF-UHFFFAOYSA-N 1 2 293.411 1.152 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cnnn1CC ZINC001440910029 964246819 /nfs/dbraw/zinc/24/68/19/964246819.db2.gz HVSUZBYVQSIUCV-SNVBAGLBSA-N 1 2 285.779 1.101 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cnnn1CC ZINC001440910029 964246825 /nfs/dbraw/zinc/24/68/25/964246825.db2.gz HVSUZBYVQSIUCV-SNVBAGLBSA-N 1 2 285.779 1.101 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC001344596816 964374981 /nfs/dbraw/zinc/37/49/81/964374981.db2.gz MQUVDMBVDPRJFZ-AVGNSLFASA-N 1 2 271.332 1.555 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC001344596816 964374989 /nfs/dbraw/zinc/37/49/89/964374989.db2.gz MQUVDMBVDPRJFZ-AVGNSLFASA-N 1 2 271.332 1.555 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C1=COCCO1 ZINC001442630738 965148412 /nfs/dbraw/zinc/14/84/12/965148412.db2.gz KAQHVUATRIZMDI-UHFFFAOYSA-N 1 2 274.748 1.065 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C1=COCCO1 ZINC001442630738 965148420 /nfs/dbraw/zinc/14/84/20/965148420.db2.gz KAQHVUATRIZMDI-UHFFFAOYSA-N 1 2 274.748 1.065 20 30 CDEDLO C=C[C@H](COC)[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC001348487971 966018781 /nfs/dbraw/zinc/01/87/81/966018781.db2.gz KBXVPLZQSKGJPI-DTWKUNHWSA-N 1 2 270.354 1.781 20 30 CDEDLO Cc1[nH]c(CNC(=O)Cc2noc(C)c2C#N)[nH+]c1C ZINC001445485210 966209101 /nfs/dbraw/zinc/20/91/01/966209101.db2.gz YKLUCJGDXWYCSE-UHFFFAOYSA-N 1 2 273.296 1.054 20 30 CDEDLO N#CC[C@@H](C(=O)NCCn1cc[nH+]c1)c1ccccc1 ZINC001543797947 967319245 /nfs/dbraw/zinc/31/92/45/967319245.db2.gz NFCOZLGJSSUOKQ-CQSZACIVSA-N 1 2 268.320 1.697 20 30 CDEDLO CC[C@@H](C)[N@@H+](CC(=O)OC)C[C@H](O)c1cccc(C#N)c1 ZINC001460031639 969469000 /nfs/dbraw/zinc/46/90/00/969469000.db2.gz QAKRCXJVJFVDRB-DOMZBBRYSA-N 1 2 290.363 1.865 20 30 CDEDLO CC[C@@H](C)[N@H+](CC(=O)OC)C[C@H](O)c1cccc(C#N)c1 ZINC001460031639 969469002 /nfs/dbraw/zinc/46/90/02/969469002.db2.gz QAKRCXJVJFVDRB-DOMZBBRYSA-N 1 2 290.363 1.865 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(C#N)ccc1F ZINC001464158332 969774586 /nfs/dbraw/zinc/77/45/86/969774586.db2.gz MNTIQCJEFHQVFK-JTQLQIEISA-N 1 2 272.283 1.712 20 30 CDEDLO CNc1ccc(C#N)cc1NC(=O)Cc1[nH]cc[nH+]1 ZINC001467449062 970059195 /nfs/dbraw/zinc/05/91/95/970059195.db2.gz UQRZGCLDCZIIPB-UHFFFAOYSA-N 1 2 255.281 1.504 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccn(CC)n1 ZINC001372136293 972807623 /nfs/dbraw/zinc/80/76/23/972807623.db2.gz HCFKJGJTYDGERC-UHFFFAOYSA-N 1 2 270.764 1.317 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccn(CC)n1 ZINC001372136293 972807632 /nfs/dbraw/zinc/80/76/32/972807632.db2.gz HCFKJGJTYDGERC-UHFFFAOYSA-N 1 2 270.764 1.317 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](C)n1cncn1 ZINC001372320729 972913213 /nfs/dbraw/zinc/91/32/13/972913213.db2.gz PSSZEROIIJZXRQ-NSHDSACASA-N 1 2 285.779 1.030 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](C)n1cncn1 ZINC001372320729 972913220 /nfs/dbraw/zinc/91/32/20/972913220.db2.gz PSSZEROIIJZXRQ-NSHDSACASA-N 1 2 285.779 1.030 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@@H]2CCOC2)C1 ZINC001373495687 973466614 /nfs/dbraw/zinc/46/66/14/973466614.db2.gz DYUVXBUBPFYKEN-NSHDSACASA-N 1 2 272.776 1.214 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCC(=O)NCC ZINC001498239209 973773233 /nfs/dbraw/zinc/77/32/33/973773233.db2.gz LKSPFZXWBPCFIY-LLVKDONJSA-N 1 2 289.807 1.092 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCC(=O)NCC ZINC001498239209 973773242 /nfs/dbraw/zinc/77/32/42/973773242.db2.gz LKSPFZXWBPCFIY-LLVKDONJSA-N 1 2 289.807 1.092 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@H]2CCCOC2)C1 ZINC001378025525 975209597 /nfs/dbraw/zinc/20/95/97/975209597.db2.gz MIGYEGJKHDAZKQ-GFCCVEGCSA-N 1 2 286.803 1.604 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)COCC)[C@H]1C ZINC001379633184 975972413 /nfs/dbraw/zinc/97/24/13/975972413.db2.gz YRKARHFKMXXCKQ-VXGBXAGGSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)COCC)[C@H]1C ZINC001379633184 975972421 /nfs/dbraw/zinc/97/24/21/975972421.db2.gz YRKARHFKMXXCKQ-VXGBXAGGSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C1(COC)CC1 ZINC001406117087 976038573 /nfs/dbraw/zinc/03/85/73/976038573.db2.gz QRUCYJPHLZOLIJ-UHFFFAOYSA-N 1 2 274.792 1.556 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C1(COC)CC1 ZINC001406117087 976038586 /nfs/dbraw/zinc/03/85/86/976038586.db2.gz QRUCYJPHLZOLIJ-UHFFFAOYSA-N 1 2 274.792 1.556 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1nn(C)cc1C ZINC001381513861 976881085 /nfs/dbraw/zinc/88/10/85/976881085.db2.gz FZIIXDIFSJNGBI-LLVKDONJSA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1nn(C)cc1C ZINC001381513861 976881093 /nfs/dbraw/zinc/88/10/93/976881093.db2.gz FZIIXDIFSJNGBI-LLVKDONJSA-N 1 2 284.791 1.531 20 30 CDEDLO Cc1cnc([C@H](C)[N@@H+](CCNC(=O)[C@@H](C)C#N)C2CC2)o1 ZINC001404208424 977368644 /nfs/dbraw/zinc/36/86/44/977368644.db2.gz BZEZHGVXVVFHKJ-JQWIXIFHSA-N 1 2 290.367 1.784 20 30 CDEDLO Cc1cnc([C@H](C)[N@H+](CCNC(=O)[C@@H](C)C#N)C2CC2)o1 ZINC001404208424 977368650 /nfs/dbraw/zinc/36/86/50/977368650.db2.gz BZEZHGVXVVFHKJ-JQWIXIFHSA-N 1 2 290.367 1.784 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1conc1C ZINC001392684416 977546553 /nfs/dbraw/zinc/54/65/53/977546553.db2.gz CQCRAIKDQVRNFQ-VIFPVBQESA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1conc1C ZINC001392684416 977546557 /nfs/dbraw/zinc/54/65/57/977546557.db2.gz CQCRAIKDQVRNFQ-VIFPVBQESA-N 1 2 271.748 1.786 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2ncc(C)o2)cc1 ZINC001132215814 1163200361 /nfs/dbraw/zinc/20/03/61/1163200361.db2.gz MUEYYLRNBPTGPW-UHFFFAOYSA-N 1 2 283.331 1.484 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001132302366 1163231726 /nfs/dbraw/zinc/23/17/26/1163231726.db2.gz QKRGLPHNLVYUBA-UHFFFAOYSA-N 1 2 292.383 1.755 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nc(CCC)no1 ZINC001132404301 1163271038 /nfs/dbraw/zinc/27/10/38/1163271038.db2.gz ZONRAKQFJRMCJB-UHFFFAOYSA-N 1 2 280.372 1.440 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001133380621 1163663666 /nfs/dbraw/zinc/66/36/66/1163663666.db2.gz KPGIYKSJRSCYRP-AWEZNQCLSA-N 1 2 280.372 1.440 20 30 CDEDLO N#CCc1ccccc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000601175584 342486746 /nfs/dbraw/zinc/48/67/46/342486746.db2.gz JMLAMPKHBGYHAU-UHFFFAOYSA-N 1 2 266.304 1.646 20 30 CDEDLO C=C(C)CNc1cc(CCC(=O)OCC)[nH+]c(C)n1 ZINC000601147018 342481943 /nfs/dbraw/zinc/48/19/43/342481943.db2.gz GXIJKLXNONBAEB-UHFFFAOYSA-N 1 2 263.341 1.691 20 30 CDEDLO N#Cc1c(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)n[nH]c1C1CC1 ZINC000290570848 342535484 /nfs/dbraw/zinc/53/54/84/342535484.db2.gz PUDZDQOEMHXKLO-GFCCVEGCSA-N 1 2 285.351 1.724 20 30 CDEDLO N#Cc1c(NC(=O)[C@H]2CCC[N@H+]2C2CC2)n[nH]c1C1CC1 ZINC000290570848 342535485 /nfs/dbraw/zinc/53/54/85/342535485.db2.gz PUDZDQOEMHXKLO-GFCCVEGCSA-N 1 2 285.351 1.724 20 30 CDEDLO COc1ccc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1C#N ZINC000087833190 361750145 /nfs/dbraw/zinc/75/01/45/361750145.db2.gz NHRQRBAAAPCHDR-CYBMUJFWSA-N 1 2 294.376 1.186 20 30 CDEDLO COc1ccc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1C#N ZINC000087833190 361750148 /nfs/dbraw/zinc/75/01/48/361750148.db2.gz NHRQRBAAAPCHDR-CYBMUJFWSA-N 1 2 294.376 1.186 20 30 CDEDLO COc1cc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)ccc1C#N ZINC000235000623 342048084 /nfs/dbraw/zinc/04/80/84/342048084.db2.gz HKDHLMBXKPYQQF-AWEZNQCLSA-N 1 2 285.347 1.373 20 30 CDEDLO COc1cc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)ccc1C#N ZINC000235000623 342048085 /nfs/dbraw/zinc/04/80/85/342048085.db2.gz HKDHLMBXKPYQQF-AWEZNQCLSA-N 1 2 285.347 1.373 20 30 CDEDLO CC[C@@H]1CN(c2cc(C)[nH+]cc2C#N)C[C@H](C)[S@]1=O ZINC000591825077 342647809 /nfs/dbraw/zinc/64/78/09/342647809.db2.gz DAUARMAZDHMQEA-CENXUZMRSA-N 1 2 277.393 1.998 20 30 CDEDLO C[C@H](C#N)CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000619037725 349598222 /nfs/dbraw/zinc/59/82/22/349598222.db2.gz AXZQFUMZGKGFEY-DGCLKSJQSA-N 1 2 274.324 1.404 20 30 CDEDLO N#CCCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)NC1CC1 ZINC000592141574 342672805 /nfs/dbraw/zinc/67/28/05/342672805.db2.gz JVHMSDGZRVFKHM-INIZCTEOSA-N 1 2 283.375 1.996 20 30 CDEDLO N#CCCC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NC1CC1 ZINC000592141574 342672806 /nfs/dbraw/zinc/67/28/06/342672806.db2.gz JVHMSDGZRVFKHM-INIZCTEOSA-N 1 2 283.375 1.996 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2cccc(Cl)c2)C1 ZINC000592147292 342673738 /nfs/dbraw/zinc/67/37/38/342673738.db2.gz NIUGABRAVISUKI-CQSZACIVSA-N 1 2 293.754 1.629 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2cccc(Cl)c2)C1 ZINC000592147292 342673740 /nfs/dbraw/zinc/67/37/40/342673740.db2.gz NIUGABRAVISUKI-CQSZACIVSA-N 1 2 293.754 1.629 20 30 CDEDLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000351646199 361834325 /nfs/dbraw/zinc/83/43/25/361834325.db2.gz ZLVANXKWTNUDRT-KGLIPLIRSA-N 1 2 292.383 1.142 20 30 CDEDLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000351646199 361834326 /nfs/dbraw/zinc/83/43/26/361834326.db2.gz ZLVANXKWTNUDRT-KGLIPLIRSA-N 1 2 292.383 1.142 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000592204906 342677044 /nfs/dbraw/zinc/67/70/44/342677044.db2.gz BGBOUJSWVIXCGJ-OLZOCXBDSA-N 1 2 292.310 1.053 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000592204906 342677046 /nfs/dbraw/zinc/67/70/46/342677046.db2.gz BGBOUJSWVIXCGJ-OLZOCXBDSA-N 1 2 292.310 1.053 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccnc(C2CC2)c1 ZINC000593154951 342774167 /nfs/dbraw/zinc/77/41/67/342774167.db2.gz QAHKPROSKAXIRB-OAHLLOKOSA-N 1 2 272.352 1.533 20 30 CDEDLO CSc1cccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)n1 ZINC000593153517 342774253 /nfs/dbraw/zinc/77/42/53/342774253.db2.gz SNSVFIGERKADPT-ZDUSSCGKSA-N 1 2 278.381 1.377 20 30 CDEDLO C=C(C)[C@H](CC(=O)N[C@@H](C)c1[nH+]ccn1C)OCC ZINC000620604094 342241511 /nfs/dbraw/zinc/24/15/11/342241511.db2.gz QCIXRGUAPXVBMH-RYUDHWBXSA-N 1 2 265.357 1.969 20 30 CDEDLO N#C[C@H]1CC[C@@H](n2cc(CC[NH+]3CCOCC3)nn2)C1 ZINC000600812441 342250481 /nfs/dbraw/zinc/25/04/81/342250481.db2.gz FBPSWMAHIBSBLI-GXTWGEPZSA-N 1 2 275.356 1.018 20 30 CDEDLO C[C@@H](C#N)CN(C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068636300 342270306 /nfs/dbraw/zinc/27/03/06/342270306.db2.gz RYNSGOVRYRQRHY-ZDUSSCGKSA-N 1 2 286.379 1.803 20 30 CDEDLO CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000595008202 342989763 /nfs/dbraw/zinc/98/97/63/342989763.db2.gz SITOFAMTLWXQGC-NSHDSACASA-N 1 2 299.334 1.390 20 30 CDEDLO COCC[N@H+](CCc1ccc(C#N)cc1)CC(=O)OC ZINC000595316889 343033948 /nfs/dbraw/zinc/03/39/48/343033948.db2.gz ANOBCRUCISHKQJ-UHFFFAOYSA-N 1 2 276.336 1.222 20 30 CDEDLO COCC[N@@H+](CCc1ccc(C#N)cc1)CC(=O)OC ZINC000595316889 343033950 /nfs/dbraw/zinc/03/39/50/343033950.db2.gz ANOBCRUCISHKQJ-UHFFFAOYSA-N 1 2 276.336 1.222 20 30 CDEDLO C[C@@H]1CN(CC[N@@H+]2CCC[C@](C)(C#N)C2)C[C@@H](C)O1 ZINC000595427197 343056879 /nfs/dbraw/zinc/05/68/79/343056879.db2.gz SLUHMHLCUBELPW-RBSFLKMASA-N 1 2 265.401 1.721 20 30 CDEDLO C[C@@H]1CN(CC[N@H+]2CCC[C@](C)(C#N)C2)C[C@@H](C)O1 ZINC000595427197 343056881 /nfs/dbraw/zinc/05/68/81/343056881.db2.gz SLUHMHLCUBELPW-RBSFLKMASA-N 1 2 265.401 1.721 20 30 CDEDLO CO[C@H](C)c1noc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595613445 343109093 /nfs/dbraw/zinc/10/90/93/343109093.db2.gz CTKLATAZAWDLOA-MNOVXSKESA-N 1 2 264.329 1.903 20 30 CDEDLO CO[C@H](C)c1noc(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595613445 343109096 /nfs/dbraw/zinc/10/90/96/343109096.db2.gz CTKLATAZAWDLOA-MNOVXSKESA-N 1 2 264.329 1.903 20 30 CDEDLO C=CCN(CC=C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000079201463 342343059 /nfs/dbraw/zinc/34/30/59/342343059.db2.gz DHXIGRGXWJOTQX-UHFFFAOYSA-N 1 2 281.400 1.481 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595781269 343154154 /nfs/dbraw/zinc/15/41/54/343154154.db2.gz CDGMASWQVPKIGZ-UONOGXRCSA-N 1 2 267.369 1.995 20 30 CDEDLO CC(C)(C)c1nc(NCCCc2[nH]nc(N)c2C#N)cc[nH+]1 ZINC000080774598 342360632 /nfs/dbraw/zinc/36/06/32/342360632.db2.gz JVHLZPUDKCIJCW-UHFFFAOYSA-N 1 2 299.382 1.996 20 30 CDEDLO CCc1nc(C#N)cc(N2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000596112700 343230309 /nfs/dbraw/zinc/23/03/09/343230309.db2.gz SFTFWLCZCFQVBF-CYBMUJFWSA-N 1 2 282.351 1.949 20 30 CDEDLO Cc1cc(NCC[N@H+]2C[C@H](C)OC[C@H]2C)c(C#N)cn1 ZINC000596434034 343320267 /nfs/dbraw/zinc/32/02/67/343320267.db2.gz WSEOLQAYPVWWLQ-OLZOCXBDSA-N 1 2 274.368 1.205 20 30 CDEDLO Cc1cc(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c(C#N)cn1 ZINC000596434034 343320268 /nfs/dbraw/zinc/32/02/68/343320268.db2.gz WSEOLQAYPVWWLQ-OLZOCXBDSA-N 1 2 274.368 1.205 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000597004153 343428183 /nfs/dbraw/zinc/42/81/83/343428183.db2.gz KNDJHJROTSFSRH-GFCCVEGCSA-N 1 2 296.330 1.964 20 30 CDEDLO CC[C@H](C(=O)N([C@H](C)C#N)C1CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000598135974 343724919 /nfs/dbraw/zinc/72/49/19/343724919.db2.gz FARQOSNWNFJSNX-BPLDGKMQSA-N 1 2 293.411 1.779 20 30 CDEDLO CC[C@H](C(=O)N([C@H](C)C#N)C1CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000598135974 343724921 /nfs/dbraw/zinc/72/49/21/343724921.db2.gz FARQOSNWNFJSNX-BPLDGKMQSA-N 1 2 293.411 1.779 20 30 CDEDLO N#Cc1cccc(-c2ccc(NCCOCCO)[nH+]c2)c1 ZINC000600774634 349880209 /nfs/dbraw/zinc/88/02/09/349880209.db2.gz DZLOLIPHTZRYIN-UHFFFAOYSA-N 1 2 283.331 1.463 20 30 CDEDLO C[N@H+](CCN1C(=O)c2ccccc2C1=O)CC1(C#N)CC1 ZINC000347456436 529907134 /nfs/dbraw/zinc/90/71/34/529907134.db2.gz FVUACLYOQSLUSK-UHFFFAOYSA-N 1 2 283.331 1.518 20 30 CDEDLO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)CC1(C#N)CC1 ZINC000347456436 529907136 /nfs/dbraw/zinc/90/71/36/529907136.db2.gz FVUACLYOQSLUSK-UHFFFAOYSA-N 1 2 283.331 1.518 20 30 CDEDLO N#CC1(C[NH2+]Cc2cnc(N3CCCC3)nc2)CCC1 ZINC000573548802 334946018 /nfs/dbraw/zinc/94/60/18/334946018.db2.gz HAUOBVAIDYMHMR-UHFFFAOYSA-N 1 2 271.368 1.860 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCc2cnc(N)nc2C1 ZINC000598947383 343932711 /nfs/dbraw/zinc/93/27/11/343932711.db2.gz ADMFRUXTQDKZDQ-UHFFFAOYSA-N 1 2 295.346 1.328 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCc2cnc(N)nc2C1 ZINC000598947383 343932712 /nfs/dbraw/zinc/93/27/12/343932712.db2.gz ADMFRUXTQDKZDQ-UHFFFAOYSA-N 1 2 295.346 1.328 20 30 CDEDLO C[C@@H]([NH2+]CC(=O)NCC#N)c1c(F)cccc1Cl ZINC000181752887 362282795 /nfs/dbraw/zinc/28/27/95/362282795.db2.gz SXXOPXLBTWESRT-MRVPVSSYSA-N 1 2 269.707 1.769 20 30 CDEDLO CN(C)c1cc(C#N)cc(C(=O)N2CCc3[nH]c[nH+]c3C2)c1 ZINC000599953015 344157246 /nfs/dbraw/zinc/15/72/46/344157246.db2.gz SQVDMFKICUFVFK-UHFFFAOYSA-N 1 2 295.346 1.546 20 30 CDEDLO CN(C)c1cc(C#N)cc(C(=O)N2CCc3[nH+]c[nH]c3C2)c1 ZINC000599953015 344157250 /nfs/dbraw/zinc/15/72/50/344157250.db2.gz SQVDMFKICUFVFK-UHFFFAOYSA-N 1 2 295.346 1.546 20 30 CDEDLO Cc1cn2ccc(C(=O)N3CC[C@](O)(CC#N)C3)cc2[nH+]1 ZINC000602165047 344365304 /nfs/dbraw/zinc/36/53/04/344365304.db2.gz AVFKZVASYNGLAF-OAHLLOKOSA-N 1 2 284.319 1.133 20 30 CDEDLO CC[C@@H](CC#N)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000602136028 344346390 /nfs/dbraw/zinc/34/63/90/344346390.db2.gz NCUHJVKZLPWHMH-NSHDSACASA-N 1 2 284.319 2.000 20 30 CDEDLO C[C@@H](C#N)N(C)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000602422240 344420421 /nfs/dbraw/zinc/42/04/21/344420421.db2.gz IQDONFKQXNYVSK-VIFPVBQESA-N 1 2 259.300 1.334 20 30 CDEDLO N#Cc1cccc(C[NH+]2CCN(c3ccccc3O)CC2)n1 ZINC000602429651 344422769 /nfs/dbraw/zinc/42/27/69/344422769.db2.gz ROCZIIUMEXTPLP-UHFFFAOYSA-N 1 2 294.358 1.981 20 30 CDEDLO CO[C@]1(C[N@H+](CCC#N)Cc2ccccn2)CCOC1 ZINC000602466055 344426250 /nfs/dbraw/zinc/42/62/50/344426250.db2.gz VOCPUJZHLOUWNV-HNNXBMFYSA-N 1 2 275.352 1.603 20 30 CDEDLO CO[C@]1(C[N@@H+](CCC#N)Cc2ccccn2)CCOC1 ZINC000602466055 344426251 /nfs/dbraw/zinc/42/62/51/344426251.db2.gz VOCPUJZHLOUWNV-HNNXBMFYSA-N 1 2 275.352 1.603 20 30 CDEDLO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC(F)(F)CO ZINC000602609679 344492916 /nfs/dbraw/zinc/49/29/16/344492916.db2.gz BFMWYUVKLSJABS-SNVBAGLBSA-N 1 2 262.300 1.303 20 30 CDEDLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1CC1(CC#N)CC1 ZINC000602822259 344610332 /nfs/dbraw/zinc/61/03/32/344610332.db2.gz ZPXLSEYZINJNNR-VXGBXAGGSA-N 1 2 250.342 1.954 20 30 CDEDLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1CC1(CC#N)CC1 ZINC000602822259 344610334 /nfs/dbraw/zinc/61/03/34/344610334.db2.gz ZPXLSEYZINJNNR-VXGBXAGGSA-N 1 2 250.342 1.954 20 30 CDEDLO COc1ccccc1CNC(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000602861267 344616582 /nfs/dbraw/zinc/61/65/82/344616582.db2.gz FTMLRZHDROBTGA-RYUDHWBXSA-N 1 2 275.352 1.592 20 30 CDEDLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000602937303 344665014 /nfs/dbraw/zinc/66/50/14/344665014.db2.gz IVEYXAFSOMVVPK-CQSZACIVSA-N 1 2 277.372 1.204 20 30 CDEDLO Cc1n[nH]cc1C[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000602937303 344665018 /nfs/dbraw/zinc/66/50/18/344665018.db2.gz IVEYXAFSOMVVPK-CQSZACIVSA-N 1 2 277.372 1.204 20 30 CDEDLO N#CCC1(C[N@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)CC1 ZINC000602840938 344621777 /nfs/dbraw/zinc/62/17/77/344621777.db2.gz PJMVURYCPAMFNI-CQSZACIVSA-N 1 2 282.409 1.581 20 30 CDEDLO N#CCC1(C[N@@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)CC1 ZINC000602840938 344621778 /nfs/dbraw/zinc/62/17/78/344621778.db2.gz PJMVURYCPAMFNI-CQSZACIVSA-N 1 2 282.409 1.581 20 30 CDEDLO Cc1ccccc1CCNC(=O)C[NH2+][C@@H](C)CC#N ZINC000602864082 344637624 /nfs/dbraw/zinc/63/76/24/344637624.db2.gz QBBJUFOKNUKAMY-ZDUSSCGKSA-N 1 2 259.353 1.546 20 30 CDEDLO C[C@H](CC#N)[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000602870101 344640450 /nfs/dbraw/zinc/64/04/50/344640450.db2.gz KQDLYLYXZRCWCO-SNVBAGLBSA-N 1 2 252.339 1.482 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)NC(=O)NCc1ccccc1 ZINC000602870781 344640970 /nfs/dbraw/zinc/64/09/70/344640970.db2.gz WVPXFWIEOYSFGW-NWDGAFQWSA-N 1 2 288.351 1.293 20 30 CDEDLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCOc1cccc(C#N)c1 ZINC000129225227 362535364 /nfs/dbraw/zinc/53/53/64/362535364.db2.gz IUIAPSWNFPOGKB-IUODEOHRSA-N 1 2 276.336 1.019 20 30 CDEDLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000129225227 362535368 /nfs/dbraw/zinc/53/53/68/362535368.db2.gz IUIAPSWNFPOGKB-IUODEOHRSA-N 1 2 276.336 1.019 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000382630182 345230969 /nfs/dbraw/zinc/23/09/69/345230969.db2.gz KRALIIYHYFMIRG-UKRRQHHQSA-N 1 2 279.384 1.249 20 30 CDEDLO COC(=O)N1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000052279358 345238251 /nfs/dbraw/zinc/23/82/51/345238251.db2.gz NGXAWCMXRFHLBH-UHFFFAOYSA-N 1 2 289.335 1.321 20 30 CDEDLO COCC[N@H+](CCC#N)C[C@@H]1COc2ccccc2O1 ZINC000610511758 346300743 /nfs/dbraw/zinc/30/07/43/346300743.db2.gz VJULAAGVYGJSMX-CYBMUJFWSA-N 1 2 276.336 1.688 20 30 CDEDLO COCC[N@@H+](CCC#N)C[C@@H]1COc2ccccc2O1 ZINC000610511758 346300745 /nfs/dbraw/zinc/30/07/45/346300745.db2.gz VJULAAGVYGJSMX-CYBMUJFWSA-N 1 2 276.336 1.688 20 30 CDEDLO COc1cc(NC(=O)C[NH2+][C@H](C)CC#N)cc(OC)c1 ZINC000610587389 346319395 /nfs/dbraw/zinc/31/93/95/346319395.db2.gz PLTSKLVIJIZLHR-SNVBAGLBSA-N 1 2 277.324 1.534 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000584663090 346385456 /nfs/dbraw/zinc/38/54/56/346385456.db2.gz SWPSXZAKIAMJSB-LBPRGKRZSA-N 1 2 262.357 1.611 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC(=O)NC1CCCCC1 ZINC000584788795 346434952 /nfs/dbraw/zinc/43/49/52/346434952.db2.gz RARYXPPTLUQNAE-LLVKDONJSA-N 1 2 280.372 1.427 20 30 CDEDLO COC(=O)c1ccc(C[NH+]2CCN(CCC#N)CC2)s1 ZINC000611174815 346627985 /nfs/dbraw/zinc/62/79/85/346627985.db2.gz NRCXZAWQBHTTCQ-UHFFFAOYSA-N 1 2 293.392 1.566 20 30 CDEDLO Cc1cccn2cc(CN3CCN(CCC#N)CC3)[nH+]c12 ZINC000611175479 346631944 /nfs/dbraw/zinc/63/19/44/346631944.db2.gz GIGDFEKFXGBAMC-UHFFFAOYSA-N 1 2 283.379 1.674 20 30 CDEDLO C=C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)C(=O)OC ZINC000619700191 347809782 /nfs/dbraw/zinc/80/97/82/347809782.db2.gz ZOJVYEHYJWQEOP-LBPRGKRZSA-N 1 2 292.335 1.201 20 30 CDEDLO CC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)c(C)c1 ZINC000414147730 362924677 /nfs/dbraw/zinc/92/46/77/362924677.db2.gz RVXUJIPMDLHZHX-HNNXBMFYSA-N 1 2 290.363 1.783 20 30 CDEDLO CC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c(C)c1 ZINC000414147730 362924681 /nfs/dbraw/zinc/92/46/81/362924681.db2.gz RVXUJIPMDLHZHX-HNNXBMFYSA-N 1 2 290.363 1.783 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@H](CC)C1 ZINC000249057503 482609986 /nfs/dbraw/zinc/60/99/86/482609986.db2.gz NRABGAVGIOEMFI-ZIAGYGMSSA-N 1 2 266.385 1.686 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](CC)C1 ZINC000249057503 482609989 /nfs/dbraw/zinc/60/99/89/482609989.db2.gz NRABGAVGIOEMFI-ZIAGYGMSSA-N 1 2 266.385 1.686 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615535457 348578831 /nfs/dbraw/zinc/57/88/31/348578831.db2.gz BVZVSKWFZMZDPE-ZBFHGGJFSA-N 1 2 280.412 1.912 20 30 CDEDLO N#CC1CC[NH+](CC(=O)NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000057873213 348849752 /nfs/dbraw/zinc/84/97/52/348849752.db2.gz ZXDVDOYECNWITJ-HNNXBMFYSA-N 1 2 299.374 1.342 20 30 CDEDLO CCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000058619456 348866286 /nfs/dbraw/zinc/86/62/86/348866286.db2.gz KDFWFFROACLSNT-UHFFFAOYSA-N 1 2 286.379 1.795 20 30 CDEDLO C=CCCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000263750506 362942311 /nfs/dbraw/zinc/94/23/11/362942311.db2.gz BNMWYPLPIIYGLR-UHFFFAOYSA-N 1 2 265.357 1.027 20 30 CDEDLO C=CCOCCNC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000620163017 350074333 /nfs/dbraw/zinc/07/43/33/350074333.db2.gz ZXJRBCJECJAMRB-KGLIPLIRSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CCOCCNC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000620163017 350074339 /nfs/dbraw/zinc/07/43/39/350074339.db2.gz ZXJRBCJECJAMRB-KGLIPLIRSA-N 1 2 284.400 1.195 20 30 CDEDLO CC(C)[C@@H]([NH2+]Cc1cccc(C#N)n1)c1nncn1C ZINC000602648974 350136151 /nfs/dbraw/zinc/13/61/51/350136151.db2.gz FZYDPNMDVNFHGF-CYBMUJFWSA-N 1 2 270.340 1.569 20 30 CDEDLO C[C@@H]1[C@@H](C)[N@H+](Cc2ccc(C#N)cc2)[C@H](C)C(=O)N1C ZINC000602847248 350155102 /nfs/dbraw/zinc/15/51/02/350155102.db2.gz JYULCODNZVBVII-JHJVBQTASA-N 1 2 271.364 1.998 20 30 CDEDLO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2)[C@H](C)C(=O)N1C ZINC000602847248 350155107 /nfs/dbraw/zinc/15/51/07/350155107.db2.gz JYULCODNZVBVII-JHJVBQTASA-N 1 2 271.364 1.998 20 30 CDEDLO CC1(F)CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000602992837 350174456 /nfs/dbraw/zinc/17/44/56/350174456.db2.gz HOUVFBAIRRJUIX-ZDUSSCGKSA-N 1 2 275.327 1.909 20 30 CDEDLO Cc1cc(Cn2cc[nH+]c2CN2CCOCC2)ccc1C#N ZINC000603421409 350288956 /nfs/dbraw/zinc/28/89/56/350288956.db2.gz WGHADYZONJDXFQ-UHFFFAOYSA-N 1 2 296.374 1.944 20 30 CDEDLO CC[C@H]1C(=O)NCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000106361340 186109183 /nfs/dbraw/zinc/10/91/83/186109183.db2.gz IIDQFVOKAVCSIE-AWEZNQCLSA-N 1 2 273.336 1.147 20 30 CDEDLO CC[C@H]1C(=O)NCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000106361340 186109184 /nfs/dbraw/zinc/10/91/84/186109184.db2.gz IIDQFVOKAVCSIE-AWEZNQCLSA-N 1 2 273.336 1.147 20 30 CDEDLO Cc1cc(C)n([C@H](C)CC(=O)N[C@](C)(C#N)C[NH+](C)C)n1 ZINC000573854165 334971872 /nfs/dbraw/zinc/97/18/72/334971872.db2.gz QJHNBYYOGPIAJP-UKRRQHHQSA-N 1 2 291.399 1.411 20 30 CDEDLO CC[N@H+](CCC#N)CCN1C(=O)NC2(CCCC2)C1=O ZINC000081039265 351124182 /nfs/dbraw/zinc/12/41/82/351124182.db2.gz ZXZNVBGEXUBQMN-UHFFFAOYSA-N 1 2 278.356 1.087 20 30 CDEDLO CC[N@@H+](CCC#N)CCN1C(=O)NC2(CCCC2)C1=O ZINC000081039265 351124183 /nfs/dbraw/zinc/12/41/83/351124183.db2.gz ZXZNVBGEXUBQMN-UHFFFAOYSA-N 1 2 278.356 1.087 20 30 CDEDLO O=[N+]([O-])c1ccc(O)c(/C=N/CC[NH+]2CCSCC2)c1 ZINC000264850604 363169881 /nfs/dbraw/zinc/16/98/81/363169881.db2.gz OVFSOWYNLYGWSZ-GXDHUFHOSA-N 1 2 295.364 1.768 20 30 CDEDLO CCn1ncnc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292074511 198154468 /nfs/dbraw/zinc/15/44/68/198154468.db2.gz DADROZNBOBEPLV-ZDUSSCGKSA-N 1 2 298.350 1.218 20 30 CDEDLO CCn1ncnc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292074511 198154470 /nfs/dbraw/zinc/15/44/70/198154470.db2.gz DADROZNBOBEPLV-ZDUSSCGKSA-N 1 2 298.350 1.218 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCOC2(CCC2)C1 ZINC000154086767 188123055 /nfs/dbraw/zinc/12/30/55/188123055.db2.gz BYQLHAFYQVKAJB-CQSZACIVSA-N 1 2 278.396 1.830 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCOC2(CCC2)C1 ZINC000154086767 188123057 /nfs/dbraw/zinc/12/30/57/188123057.db2.gz BYQLHAFYQVKAJB-CQSZACIVSA-N 1 2 278.396 1.830 20 30 CDEDLO COC(=O)[C@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000157955437 188349115 /nfs/dbraw/zinc/34/91/15/188349115.db2.gz RXUROHIMEGIPKJ-ZDUSSCGKSA-N 1 2 287.363 1.632 20 30 CDEDLO COC(=O)[C@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000157955437 188349116 /nfs/dbraw/zinc/34/91/16/188349116.db2.gz RXUROHIMEGIPKJ-ZDUSSCGKSA-N 1 2 287.363 1.632 20 30 CDEDLO CCN(CCC#N)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000533392763 356244098 /nfs/dbraw/zinc/24/40/98/356244098.db2.gz OJQVJIRQZYMGAO-UHFFFAOYSA-N 1 2 270.336 1.947 20 30 CDEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1nnc(C)s1 ZINC000273543932 192196847 /nfs/dbraw/zinc/19/68/47/192196847.db2.gz BAFVUTYFSJRSKH-JTQLQIEISA-N 1 2 280.397 1.698 20 30 CDEDLO C[C@H](O)C[NH+]1CCN(c2nccc(C#N)c2Cl)CC1 ZINC000342998583 356419148 /nfs/dbraw/zinc/41/91/48/356419148.db2.gz IUPCUNIVZBWJHE-JTQLQIEISA-N 1 2 280.759 1.109 20 30 CDEDLO CC[N@H+](Cc1ccc(C#N)cn1)[C@@H](C)CS(=O)(=O)CC ZINC000578417462 356630650 /nfs/dbraw/zinc/63/06/50/356630650.db2.gz JJLLPDZLJRNTNH-LBPRGKRZSA-N 1 2 295.408 1.598 20 30 CDEDLO CC[N@@H+](Cc1ccc(C#N)cn1)[C@@H](C)CS(=O)(=O)CC ZINC000578417462 356630653 /nfs/dbraw/zinc/63/06/53/356630653.db2.gz JJLLPDZLJRNTNH-LBPRGKRZSA-N 1 2 295.408 1.598 20 30 CDEDLO Cc1cccc2[nH+]c(CNC(=O)c3cc(C#N)c[nH]3)cn21 ZINC000175614712 356650671 /nfs/dbraw/zinc/65/06/71/356650671.db2.gz RQXZDTOWLCJZCA-UHFFFAOYSA-N 1 2 279.303 1.773 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)c1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000342408257 363548227 /nfs/dbraw/zinc/54/82/27/363548227.db2.gz BMJKRIJFPYAAGA-UHFFFAOYSA-N 1 2 272.268 1.408 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000175654730 356668338 /nfs/dbraw/zinc/66/83/38/356668338.db2.gz TVQMERZPQZUTIE-UHFFFAOYSA-N 1 2 269.308 1.513 20 30 CDEDLO Cc1ccn2cc(CNC(=O)C(C)(C)C#N)[nH+]c2c1 ZINC000048968481 357202726 /nfs/dbraw/zinc/20/27/26/357202726.db2.gz XYSVVAYVZTUHIN-UHFFFAOYSA-N 1 2 256.309 1.809 20 30 CDEDLO N#Cc1ccc(CNc2cccc(CN3CCOCC3)[nH+]2)o1 ZINC000179454625 357207030 /nfs/dbraw/zinc/20/70/30/357207030.db2.gz AYYKEYLWNWFETL-UHFFFAOYSA-N 1 2 298.346 1.991 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1cccc(C#N)c1 ZINC000380204811 357366715 /nfs/dbraw/zinc/36/67/15/357366715.db2.gz JDDNYGGQMVNWPI-WAYWQWQTSA-N 1 2 266.304 1.919 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CC#N)c1cccc(F)c1 ZINC000363831820 357448159 /nfs/dbraw/zinc/44/81/59/357448159.db2.gz JNIIQWAIDQXYNV-ZDUSSCGKSA-N 1 2 272.283 1.678 20 30 CDEDLO Cc1cc(NC[C@H](O)C[N@H+](C)CCC#N)c(C)cc1O ZINC000581126879 357560365 /nfs/dbraw/zinc/56/03/65/357560365.db2.gz GRPFTJWELHHOJV-ZDUSSCGKSA-N 1 2 277.368 1.627 20 30 CDEDLO Cc1cc(NC[C@H](O)C[N@@H+](C)CCC#N)c(C)cc1O ZINC000581126879 357560369 /nfs/dbraw/zinc/56/03/69/357560369.db2.gz GRPFTJWELHHOJV-ZDUSSCGKSA-N 1 2 277.368 1.627 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)c1 ZINC000335702310 357946689 /nfs/dbraw/zinc/94/66/89/357946689.db2.gz WDJDRDLUIGZSPW-OAHLLOKOSA-N 1 2 298.321 1.812 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@H](C)O1 ZINC000189467616 358014504 /nfs/dbraw/zinc/01/45/04/358014504.db2.gz PGNDHWMMSRMDDQ-SWLSCSKDSA-N 1 2 260.337 1.794 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H](C)O1 ZINC000189467616 358014508 /nfs/dbraw/zinc/01/45/08/358014508.db2.gz PGNDHWMMSRMDDQ-SWLSCSKDSA-N 1 2 260.337 1.794 20 30 CDEDLO C#CCCOc1ccc(C[N@@H+]2CCOC[C@@H]2C#C)cc1 ZINC000491622954 366430187 /nfs/dbraw/zinc/43/01/87/366430187.db2.gz IGVQPHRNHOASCI-INIZCTEOSA-N 1 2 269.344 1.923 20 30 CDEDLO C#CCCOc1ccc(C[N@H+]2CCOC[C@@H]2C#C)cc1 ZINC000491622954 366430199 /nfs/dbraw/zinc/43/01/99/366430199.db2.gz IGVQPHRNHOASCI-INIZCTEOSA-N 1 2 269.344 1.923 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000338030634 358664485 /nfs/dbraw/zinc/66/44/85/358664485.db2.gz HTUKNCXXBMDWIL-UHFFFAOYSA-N 1 2 299.374 1.461 20 30 CDEDLO CN1CC[C@@H]([N@H+](C)CC#Cc2cccc(Cl)c2)C1=O ZINC000269607648 359374658 /nfs/dbraw/zinc/37/46/58/359374658.db2.gz OQXAJKOUYONXTB-CQSZACIVSA-N 1 2 276.767 1.854 20 30 CDEDLO CN1CC[C@@H]([N@@H+](C)CC#Cc2cccc(Cl)c2)C1=O ZINC000269607648 359374660 /nfs/dbraw/zinc/37/46/60/359374660.db2.gz OQXAJKOUYONXTB-CQSZACIVSA-N 1 2 276.767 1.854 20 30 CDEDLO C#CCN(CC)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000270076687 359387598 /nfs/dbraw/zinc/38/75/98/359387598.db2.gz PRCIMAAJTJMPJK-CYBMUJFWSA-N 1 2 272.352 1.325 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCCCn1cc[nH+]c1)OCC ZINC000270164224 359391743 /nfs/dbraw/zinc/39/17/43/359391743.db2.gz ZRPHVSLYVQDGEC-ZDUSSCGKSA-N 1 2 265.357 1.761 20 30 CDEDLO C#CCOc1ccccc1C[NH+]1CC(OCCOCC)C1 ZINC000272433206 359458906 /nfs/dbraw/zinc/45/89/06/359458906.db2.gz RBVWJVWGPUANRT-UHFFFAOYSA-N 1 2 289.375 1.936 20 30 CDEDLO C#CCN(C(=O)Cc1cn2ccccc2[nH+]1)C1CC1 ZINC000274081499 359489706 /nfs/dbraw/zinc/48/97/06/359489706.db2.gz SGYCOXWUXCHPOP-UHFFFAOYSA-N 1 2 253.305 1.501 20 30 CDEDLO C#CCN(C)c1cc(C)nc([C@H](C)[N@H+](C)CC#C)n1 ZINC000276889731 359550979 /nfs/dbraw/zinc/55/09/79/359550979.db2.gz BSFVFBWCKJJPOB-ZDUSSCGKSA-N 1 2 256.353 1.480 20 30 CDEDLO C#CCN(C)c1cc(C)nc([C@H](C)[N@@H+](C)CC#C)n1 ZINC000276889731 359550983 /nfs/dbraw/zinc/55/09/83/359550983.db2.gz BSFVFBWCKJJPOB-ZDUSSCGKSA-N 1 2 256.353 1.480 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCOC[C@@H]2c2ccccc2)C1=O ZINC000337172508 360009092 /nfs/dbraw/zinc/00/90/92/360009092.db2.gz GOPFBBNFXJVBIC-JKSUJKDBSA-N 1 2 286.375 1.847 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCOC[C@@H]2c2ccccc2)C1=O ZINC000337172508 360009097 /nfs/dbraw/zinc/00/90/97/360009097.db2.gz GOPFBBNFXJVBIC-JKSUJKDBSA-N 1 2 286.375 1.847 20 30 CDEDLO CC[C@H](C)[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC(=O)OC ZINC000337221655 360035679 /nfs/dbraw/zinc/03/56/79/360035679.db2.gz CKRXIBRYZTYFHU-SWLSCSKDSA-N 1 2 297.399 1.314 20 30 CDEDLO CC[C@H](C)[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC(=O)OC ZINC000337221655 360035683 /nfs/dbraw/zinc/03/56/83/360035683.db2.gz CKRXIBRYZTYFHU-SWLSCSKDSA-N 1 2 297.399 1.314 20 30 CDEDLO C=C[C@@H](CO)[NH2+]Cc1ncc(Br)s1 ZINC000308155852 360130027 /nfs/dbraw/zinc/13/00/27/360130027.db2.gz ASDZXRNYHQQAMJ-LURJTMIESA-N 1 2 263.160 1.542 20 30 CDEDLO C=CCCn1cc(C(=O)Nc2ccc[nH+]c2N(C)C)nn1 ZINC000424731170 360348647 /nfs/dbraw/zinc/34/86/47/360348647.db2.gz ZCTMYZXSUPXMKO-UHFFFAOYSA-N 1 2 286.339 1.568 20 30 CDEDLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000128038298 360693380 /nfs/dbraw/zinc/69/33/80/360693380.db2.gz URVCXJHRBNMLSN-CQSZACIVSA-N 1 2 299.378 1.730 20 30 CDEDLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000128038298 360693384 /nfs/dbraw/zinc/69/33/84/360693384.db2.gz URVCXJHRBNMLSN-CQSZACIVSA-N 1 2 299.378 1.730 20 30 CDEDLO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CCC#N)C1 ZINC000428781819 360724996 /nfs/dbraw/zinc/72/49/96/360724996.db2.gz KJJATKUXKXNDTQ-HNNXBMFYSA-N 1 2 258.321 1.717 20 30 CDEDLO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CCC#N)C1 ZINC000428781819 360725001 /nfs/dbraw/zinc/72/50/01/360725001.db2.gz KJJATKUXKXNDTQ-HNNXBMFYSA-N 1 2 258.321 1.717 20 30 CDEDLO C[C@H](CC(=O)N=c1ccn(CCC#N)[nH]1)n1cc[nH+]c1 ZINC000563219807 360896272 /nfs/dbraw/zinc/89/62/72/360896272.db2.gz YWVBOGDZGXDWPX-LLVKDONJSA-N 1 2 272.312 1.005 20 30 CDEDLO C#CCCCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000179628753 189208366 /nfs/dbraw/zinc/20/83/66/189208366.db2.gz QZQZTBRQYIZGHY-UHFFFAOYSA-N 1 2 271.364 1.924 20 30 CDEDLO C=CCOCc1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000349865499 360956650 /nfs/dbraw/zinc/95/66/50/360956650.db2.gz SQPQXBXERDVBGY-NSHDSACASA-N 1 2 267.329 1.554 20 30 CDEDLO C=CCOCc1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000349865499 360956655 /nfs/dbraw/zinc/95/66/55/360956655.db2.gz SQPQXBXERDVBGY-NSHDSACASA-N 1 2 267.329 1.554 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C[C@@H](C)O1 ZINC000247740894 361175265 /nfs/dbraw/zinc/17/52/65/361175265.db2.gz WXVVAESDRLURNF-UMVBOHGHSA-N 1 2 281.400 1.540 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C[C@@H](C)O1 ZINC000247740894 361175268 /nfs/dbraw/zinc/17/52/68/361175268.db2.gz WXVVAESDRLURNF-UMVBOHGHSA-N 1 2 281.400 1.540 20 30 CDEDLO C[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C#N)C1 ZINC000433310144 361231678 /nfs/dbraw/zinc/23/16/78/361231678.db2.gz ATOCPKCGEIVRMX-LBPRGKRZSA-N 1 2 251.374 1.726 20 30 CDEDLO C[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C#N)C1 ZINC000433310144 361231684 /nfs/dbraw/zinc/23/16/84/361231684.db2.gz ATOCPKCGEIVRMX-LBPRGKRZSA-N 1 2 251.374 1.726 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CC[C@@H](C)O ZINC000267648069 361256027 /nfs/dbraw/zinc/25/60/27/361256027.db2.gz WYZFRGCFBJRFFX-BXUZGUMPSA-N 1 2 276.336 1.475 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@@H](C)O ZINC000267648069 361256029 /nfs/dbraw/zinc/25/60/29/361256029.db2.gz WYZFRGCFBJRFFX-BXUZGUMPSA-N 1 2 276.336 1.475 20 30 CDEDLO CN(C[C@@H]1CCCOC1)C(=O)NCc1[nH+]ccn1C ZINC000329320530 361477193 /nfs/dbraw/zinc/47/71/93/361477193.db2.gz RHBVSDCMVCEWAA-NSHDSACASA-N 1 2 266.345 1.193 20 30 CDEDLO C=CC[C@H](C)NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000159172768 361562405 /nfs/dbraw/zinc/56/24/05/361562405.db2.gz BPEFMTZFHDPQIJ-AWEZNQCLSA-N 1 2 288.395 1.873 20 30 CDEDLO COCCC1(C)CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000329674492 361701489 /nfs/dbraw/zinc/70/14/89/361701489.db2.gz TYIHKMFQEOANSE-LBPRGKRZSA-N 1 2 292.383 1.470 20 30 CDEDLO C[C@@H]1C[C@H](NC(=O)COc2ccccc2C#N)c2[nH+]ccn21 ZINC000456356548 364251632 /nfs/dbraw/zinc/25/16/32/364251632.db2.gz BFKQRNGEKHUSES-YPMHNXCESA-N 1 2 296.330 1.956 20 30 CDEDLO C[C@H]1[C@H]([NH+]2CCOCC2)CCN1Cc1nc(C#N)cs1 ZINC000356258783 364539611 /nfs/dbraw/zinc/53/96/11/364539611.db2.gz MJKAMNXHDICMJI-WCQYABFASA-N 1 2 292.408 1.310 20 30 CDEDLO C[C@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000356258783 364539613 /nfs/dbraw/zinc/53/96/13/364539613.db2.gz MJKAMNXHDICMJI-WCQYABFASA-N 1 2 292.408 1.310 20 30 CDEDLO C[C@H]1[C@H](N2CCOCC2)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000356258783 364539616 /nfs/dbraw/zinc/53/96/16/364539616.db2.gz MJKAMNXHDICMJI-WCQYABFASA-N 1 2 292.408 1.310 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H](C(N)=O)C1 ZINC000249548999 364861036 /nfs/dbraw/zinc/86/10/36/364861036.db2.gz HEOSPEACBODOJW-BXUZGUMPSA-N 1 2 257.337 1.644 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H](C(N)=O)C1 ZINC000249548999 364861039 /nfs/dbraw/zinc/86/10/39/364861039.db2.gz HEOSPEACBODOJW-BXUZGUMPSA-N 1 2 257.337 1.644 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCc2ccc3c(c2)CCO3)nn1 ZINC000641064431 364923953 /nfs/dbraw/zinc/92/39/53/364923953.db2.gz POKNDLIBAGVQIZ-UHFFFAOYSA-N 1 2 296.374 1.569 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cccc(C(C)=O)c2)nn1 ZINC000641143293 365102154 /nfs/dbraw/zinc/10/21/54/365102154.db2.gz XJMJJVBTXVIHKS-UHFFFAOYSA-N 1 2 282.347 1.642 20 30 CDEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1nccs1 ZINC000566687611 370792079 /nfs/dbraw/zinc/79/20/79/370792079.db2.gz OPSBJORFLYCKOQ-DTWKUNHWSA-N 1 2 252.343 1.752 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@@H](Cc2ccccc2)OC)nn1 ZINC000641173618 365161273 /nfs/dbraw/zinc/16/12/73/365161273.db2.gz GOTZVQRSOXDAIW-QGZVFWFLSA-N 1 2 298.390 1.649 20 30 CDEDLO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ncn(C)n1 ZINC000275467350 193049780 /nfs/dbraw/zinc/04/97/80/193049780.db2.gz CLWHZOWYOYZJRE-LLVKDONJSA-N 1 2 271.324 1.416 20 30 CDEDLO N#Cc1ccc(Br)c(C[NH2+][C@@H]2CNOC2)c1 ZINC001580064282 1172339015 /nfs/dbraw/zinc/33/90/15/1172339015.db2.gz JUXHYIDPRIAYCO-SNVBAGLBSA-N 1 2 282.141 1.314 20 30 CDEDLO C[NH2+]Cc1noc([C@H](C)Oc2ccccc2C#N)n1 ZINC000414650248 241300572 /nfs/dbraw/zinc/30/05/72/241300572.db2.gz XTWVKCPANFWDKA-VIFPVBQESA-N 1 2 258.281 1.801 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(CC3OCCO3)CC2)cc1 ZINC000272291056 367673974 /nfs/dbraw/zinc/67/39/74/367673974.db2.gz VBXNXWIZJNOVNB-UHFFFAOYSA-N 1 2 287.363 1.049 20 30 CDEDLO N#Cc1ccc(CN2CC[NH+](CC3OCCO3)CC2)cc1 ZINC000272291056 367673982 /nfs/dbraw/zinc/67/39/82/367673982.db2.gz VBXNXWIZJNOVNB-UHFFFAOYSA-N 1 2 287.363 1.049 20 30 CDEDLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000282399746 367867049 /nfs/dbraw/zinc/86/70/49/367867049.db2.gz CMIWLCLMXSKTGV-LLVKDONJSA-N 1 2 270.379 1.239 20 30 CDEDLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000282399746 367867057 /nfs/dbraw/zinc/86/70/57/367867057.db2.gz CMIWLCLMXSKTGV-LLVKDONJSA-N 1 2 270.379 1.239 20 30 CDEDLO C=CCCS(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000540942594 368575853 /nfs/dbraw/zinc/57/58/53/368575853.db2.gz RIRHXHXDNTVJFR-UHFFFAOYSA-N 1 2 257.359 1.159 20 30 CDEDLO CC#CCCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000361635621 368951894 /nfs/dbraw/zinc/95/18/94/368951894.db2.gz FVPMMUTYQZRKHG-CQSZACIVSA-N 1 2 273.336 1.658 20 30 CDEDLO CCC[C@@H]1C[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)CCO1 ZINC000132374475 369204083 /nfs/dbraw/zinc/20/40/83/369204083.db2.gz XDMNGEUENINNGY-UONOGXRCSA-N 1 2 281.400 1.495 20 30 CDEDLO CCC[C@@H]1C[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)CCO1 ZINC000132374475 369204088 /nfs/dbraw/zinc/20/40/88/369204088.db2.gz XDMNGEUENINNGY-UONOGXRCSA-N 1 2 281.400 1.495 20 30 CDEDLO N#Cc1cncc(Nc2ccc(N3CCOCC3)[nH+]c2)n1 ZINC000420589550 244269311 /nfs/dbraw/zinc/26/93/11/244269311.db2.gz UDWIJJHJRKMOMG-UHFFFAOYSA-N 1 2 282.307 1.323 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000276811914 284175062 /nfs/dbraw/zinc/17/50/62/284175062.db2.gz YAHIATSGFKLUCB-RISCZKNCSA-N 1 2 275.352 1.670 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000276811914 284175063 /nfs/dbraw/zinc/17/50/63/284175063.db2.gz YAHIATSGFKLUCB-RISCZKNCSA-N 1 2 275.352 1.670 20 30 CDEDLO COCC[N@H+](CCCSCC#N)CC(F)F ZINC000080628320 369921022 /nfs/dbraw/zinc/92/10/22/369921022.db2.gz OADNBHFZOQPUFT-UHFFFAOYSA-N 1 2 252.330 1.847 20 30 CDEDLO COCC[N@@H+](CCCSCC#N)CC(F)F ZINC000080628320 369921027 /nfs/dbraw/zinc/92/10/27/369921027.db2.gz OADNBHFZOQPUFT-UHFFFAOYSA-N 1 2 252.330 1.847 20 30 CDEDLO N#C[C@@H]1CC[C@H]([NH2+]Cc2n[nH]cc2Br)C1 ZINC000389666480 370014827 /nfs/dbraw/zinc/01/48/27/370014827.db2.gz ORLSMETXUCDOBC-SFYZADRCSA-N 1 2 269.146 1.954 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)NCC(=O)c1cccs1 ZINC000490851903 261228279 /nfs/dbraw/zinc/22/82/79/261228279.db2.gz ISRRAYYVBQILGG-UHFFFAOYSA-N 1 2 264.350 1.002 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)NCC(=O)c1cccs1 ZINC000490851903 261228281 /nfs/dbraw/zinc/22/82/81/261228281.db2.gz ISRRAYYVBQILGG-UHFFFAOYSA-N 1 2 264.350 1.002 20 30 CDEDLO Cc1ccc(OCC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000565809824 370537560 /nfs/dbraw/zinc/53/75/60/370537560.db2.gz YRIKNIFHXZGIEP-HNNXBMFYSA-N 1 2 275.352 1.334 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000567685752 371098854 /nfs/dbraw/zinc/09/88/54/371098854.db2.gz KZKSLAOFZYMMLL-LBPRGKRZSA-N 1 2 254.374 1.426 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000567685752 371098859 /nfs/dbraw/zinc/09/88/59/371098859.db2.gz KZKSLAOFZYMMLL-LBPRGKRZSA-N 1 2 254.374 1.426 20 30 CDEDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)CC1 ZINC000331649897 204042434 /nfs/dbraw/zinc/04/24/34/204042434.db2.gz OLENVVSLKGNQLP-CYBMUJFWSA-N 1 2 282.365 1.550 20 30 CDEDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)o2)CC1 ZINC000331649897 204042436 /nfs/dbraw/zinc/04/24/36/204042436.db2.gz OLENVVSLKGNQLP-CYBMUJFWSA-N 1 2 282.365 1.550 20 30 CDEDLO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000347454457 371388217 /nfs/dbraw/zinc/38/82/17/371388217.db2.gz RQSQHOQUHBCRRU-OAHLLOKOSA-N 1 2 288.347 1.631 20 30 CDEDLO COC(=O)C[C@@H]1COCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000347454457 371388219 /nfs/dbraw/zinc/38/82/19/371388219.db2.gz RQSQHOQUHBCRRU-OAHLLOKOSA-N 1 2 288.347 1.631 20 30 CDEDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)CCC(C)(C)C#N ZINC000573019626 371380632 /nfs/dbraw/zinc/38/06/32/371380632.db2.gz FDPITPRMUFCOFA-UHFFFAOYSA-N 1 2 298.412 1.475 20 30 CDEDLO COc1ccc(C[NH2+][C@@H](C)c2nnc3n2CCC3)cc1C#N ZINC000266238496 371573622 /nfs/dbraw/zinc/57/36/22/371573622.db2.gz WKLNSNXLCBSEFA-NSHDSACASA-N 1 2 297.362 1.955 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)CCc1ccc(C#N)cc1 ZINC000347518799 372058679 /nfs/dbraw/zinc/05/86/79/372058679.db2.gz NJJNEWMBUFBKMS-UHFFFAOYSA-N 1 2 268.320 1.873 20 30 CDEDLO C=C[C@@](C)(CCOC)c1nc([C@@H]2C[N@H+](C)CCN2C)no1 ZINC000350075960 372277196 /nfs/dbraw/zinc/27/71/96/372277196.db2.gz RPDCYDLGYPBRJH-WFASDCNBSA-N 1 2 294.399 1.468 20 30 CDEDLO C=C[C@@](C)(CCOC)c1nc([C@@H]2C[N@@H+](C)CCN2C)no1 ZINC000350075960 372277204 /nfs/dbraw/zinc/27/72/04/372277204.db2.gz RPDCYDLGYPBRJH-WFASDCNBSA-N 1 2 294.399 1.468 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000172756173 372414393 /nfs/dbraw/zinc/41/43/93/372414393.db2.gz NKAKKIZTKSFLLH-UHFFFAOYSA-N 1 2 274.339 1.915 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCSC[C@@H]1C#N ZINC000578880120 372547887 /nfs/dbraw/zinc/54/78/87/372547887.db2.gz GELNKOKNBGDWNA-KOLCDFICSA-N 1 2 264.354 1.056 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCSC[C@@H]1C#N ZINC000578880120 372547898 /nfs/dbraw/zinc/54/78/98/372547898.db2.gz GELNKOKNBGDWNA-KOLCDFICSA-N 1 2 264.354 1.056 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(CC)cc2)CC1 ZINC000174316616 372569923 /nfs/dbraw/zinc/56/99/23/372569923.db2.gz HGQHMJBMYIMCKZ-OAHLLOKOSA-N 1 2 299.418 1.509 20 30 CDEDLO COc1cc(C)ccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000579838920 372643965 /nfs/dbraw/zinc/64/39/65/372643965.db2.gz DYOILRVLBDRPQO-OAHLLOKOSA-N 1 2 275.352 1.577 20 30 CDEDLO C=CCN(CCOC)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000191981523 373585386 /nfs/dbraw/zinc/58/53/86/373585386.db2.gz TUMDYFJEBCOXQB-LBPRGKRZSA-N 1 2 263.341 1.107 20 30 CDEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192025560 373572652 /nfs/dbraw/zinc/57/26/52/373572652.db2.gz ZVFUZSUCKRCRJO-QWRGUYRKSA-N 1 2 298.383 1.951 20 30 CDEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192025560 373572659 /nfs/dbraw/zinc/57/26/59/373572659.db2.gz ZVFUZSUCKRCRJO-QWRGUYRKSA-N 1 2 298.383 1.951 20 30 CDEDLO C=CCOc1cccnc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000341421201 373680177 /nfs/dbraw/zinc/68/01/77/373680177.db2.gz PIQFQLJUQXHEHX-GFCCVEGCSA-N 1 2 286.335 1.661 20 30 CDEDLO N#CCSCCC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000610410141 373734925 /nfs/dbraw/zinc/73/49/25/373734925.db2.gz NWVFFBUTKKGFAA-SECBINFHSA-N 1 2 268.304 1.896 20 30 CDEDLO N#CCSCCC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000610410141 373734935 /nfs/dbraw/zinc/73/49/35/373734935.db2.gz NWVFFBUTKKGFAA-SECBINFHSA-N 1 2 268.304 1.896 20 30 CDEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(CC(N)=O)CC1 ZINC000103140741 373839575 /nfs/dbraw/zinc/83/95/75/373839575.db2.gz YMQSNLDKKVSYAD-UHFFFAOYSA-N 1 2 275.327 1.785 20 30 CDEDLO Cn1cc[nH+]c1CNc1nc2ccccn2c1C#N ZINC000360119526 374000920 /nfs/dbraw/zinc/00/09/20/374000920.db2.gz VUQYGDSRGLTVSF-UHFFFAOYSA-N 1 2 252.281 1.552 20 30 CDEDLO N#Cc1cccc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)n1 ZINC000302829605 373982303 /nfs/dbraw/zinc/98/23/03/373982303.db2.gz JXOWMXFILYWTGW-CQSZACIVSA-N 1 2 283.335 1.626 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000362072221 374056435 /nfs/dbraw/zinc/05/64/35/374056435.db2.gz LLKUEXBSUFTOBC-NSHDSACASA-N 1 2 283.335 1.735 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCn2cnnc2[C@@H]1C ZINC000362072221 374056442 /nfs/dbraw/zinc/05/64/42/374056442.db2.gz LLKUEXBSUFTOBC-NSHDSACASA-N 1 2 283.335 1.735 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](O)C2)c(C#N)c1C ZINC000351794678 374285307 /nfs/dbraw/zinc/28/53/07/374285307.db2.gz FMXNVQCVIJZGIK-PRHODGIISA-N 1 2 277.324 1.019 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](O)C2)c(C#N)c1C ZINC000351794678 374285315 /nfs/dbraw/zinc/28/53/15/374285315.db2.gz FMXNVQCVIJZGIK-PRHODGIISA-N 1 2 277.324 1.019 20 30 CDEDLO Cc1nnc(C[NH2+]C2(c3cccc(C#N)c3)CC2)[nH]1 ZINC000293132108 374346903 /nfs/dbraw/zinc/34/69/03/374346903.db2.gz LICRRKGMSKWVJS-UHFFFAOYSA-N 1 2 253.309 1.764 20 30 CDEDLO N#Cc1ccc(CNc2cc(N3CCOCC3)nc[nH+]2)cc1 ZINC000277277019 374780223 /nfs/dbraw/zinc/78/02/23/374780223.db2.gz AOWUCVPSJFIBAN-UHFFFAOYSA-N 1 2 295.346 1.797 20 30 CDEDLO N#Cc1ccc(CNc2cc(N3CCOCC3)[nH+]cn2)cc1 ZINC000277277019 374780228 /nfs/dbraw/zinc/78/02/28/374780228.db2.gz AOWUCVPSJFIBAN-UHFFFAOYSA-N 1 2 295.346 1.797 20 30 CDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)s2)CC[S@](=O)C1 ZINC000277438928 374787555 /nfs/dbraw/zinc/78/75/55/374787555.db2.gz JZVBMWQJIPPICM-BTDLBPIBSA-N 1 2 268.407 1.820 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[S@](=O)C1 ZINC000277438928 374787561 /nfs/dbraw/zinc/78/75/61/374787561.db2.gz JZVBMWQJIPPICM-BTDLBPIBSA-N 1 2 268.407 1.820 20 30 CDEDLO C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1nnc2n1CCCC2 ZINC000331581934 374973644 /nfs/dbraw/zinc/97/36/44/374973644.db2.gz AAHUPHHFDXHOTC-LLVKDONJSA-N 1 2 284.367 1.675 20 30 CDEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000282044720 296225876 /nfs/dbraw/zinc/22/58/76/296225876.db2.gz GENQSYFDKFNELU-FZMZJTMJSA-N 1 2 278.377 1.738 20 30 CDEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000282044720 296225875 /nfs/dbraw/zinc/22/58/75/296225875.db2.gz GENQSYFDKFNELU-FZMZJTMJSA-N 1 2 278.377 1.738 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CC1 ZINC000353362288 375305726 /nfs/dbraw/zinc/30/57/26/375305726.db2.gz YHRLWBUHGROXSP-LBPRGKRZSA-N 1 2 269.308 1.501 20 30 CDEDLO N#CC1(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000133695148 375581125 /nfs/dbraw/zinc/58/11/25/375581125.db2.gz NUJSZCKFENPWAJ-CQSZACIVSA-N 1 2 285.347 1.060 20 30 CDEDLO N#CC1(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000133695148 375581130 /nfs/dbraw/zinc/58/11/30/375581130.db2.gz NUJSZCKFENPWAJ-CQSZACIVSA-N 1 2 285.347 1.060 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1csnn1)CCC2 ZINC000328820903 375964521 /nfs/dbraw/zinc/96/45/21/375964521.db2.gz OUXSDUKLVSGQEK-VIFPVBQESA-N 1 2 277.353 1.925 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@H]2CCCOC2)C1 ZINC000328770353 375951761 /nfs/dbraw/zinc/95/17/61/375951761.db2.gz ACMAGLVDZMDPHG-CHWSQXEVSA-N 1 2 292.383 1.550 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)nn1 ZINC000631262449 376048481 /nfs/dbraw/zinc/04/84/81/376048481.db2.gz QDVGVSPHTKRFJT-NXEZZACHSA-N 1 2 260.263 1.895 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000245504807 376059544 /nfs/dbraw/zinc/05/95/44/376059544.db2.gz FGIPMSIFMLRIIQ-KSSFIOAISA-N 1 2 298.386 1.298 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000245504807 376059549 /nfs/dbraw/zinc/05/95/49/376059549.db2.gz FGIPMSIFMLRIIQ-KSSFIOAISA-N 1 2 298.386 1.298 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCc1cccc(OCCC)c1 ZINC000072906599 377202586 /nfs/dbraw/zinc/20/25/86/377202586.db2.gz VZZZUOXIQMZFOY-UHFFFAOYSA-N 1 2 298.386 1.660 20 30 CDEDLO Cn1ccc2c1cccc2NC[C@@H](O)C[N@H+](C)CCC#N ZINC000571910418 377599370 /nfs/dbraw/zinc/59/93/70/377599370.db2.gz XHSWUJWBKIXRFM-CYBMUJFWSA-N 1 2 286.379 1.797 20 30 CDEDLO Cn1ccc2c1cccc2NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000571910418 377599374 /nfs/dbraw/zinc/59/93/74/377599374.db2.gz XHSWUJWBKIXRFM-CYBMUJFWSA-N 1 2 286.379 1.797 20 30 CDEDLO N#Cc1ccncc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000269999775 377821985 /nfs/dbraw/zinc/82/19/85/377821985.db2.gz XTJHHRMFIUBVJC-UHFFFAOYSA-N 1 2 294.358 1.981 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000280553352 377966395 /nfs/dbraw/zinc/96/63/95/377966395.db2.gz JKJASOASZSGVAX-ZIAGYGMSSA-N 1 2 292.383 1.554 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000281237187 377993053 /nfs/dbraw/zinc/99/30/53/377993053.db2.gz LLMSNZCTXRMYHB-AWEZNQCLSA-N 1 2 289.335 1.814 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000281237187 377993055 /nfs/dbraw/zinc/99/30/55/377993055.db2.gz LLMSNZCTXRMYHB-AWEZNQCLSA-N 1 2 289.335 1.814 20 30 CDEDLO CC#CC[C@@H](CO)Nc1ccc2cc(OC)ccc2[nH+]1 ZINC000645405023 378152694 /nfs/dbraw/zinc/15/26/94/378152694.db2.gz WPDQEFQPQHXPCW-ZDUSSCGKSA-N 1 2 270.332 1.852 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1sc(C)cc1C(=O)OCC ZINC000192226578 378176736 /nfs/dbraw/zinc/17/67/36/378176736.db2.gz NJJALTSHPWEFEQ-UHFFFAOYSA-N 1 2 294.376 1.737 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1sc(C)cc1C(=O)OCC ZINC000192226578 378176742 /nfs/dbraw/zinc/17/67/42/378176742.db2.gz NJJALTSHPWEFEQ-UHFFFAOYSA-N 1 2 294.376 1.737 20 30 CDEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000120928003 378393057 /nfs/dbraw/zinc/39/30/57/378393057.db2.gz QNBNECICOZQKRJ-QWRGUYRKSA-N 1 2 298.383 1.951 20 30 CDEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000120928003 378393061 /nfs/dbraw/zinc/39/30/61/378393061.db2.gz QNBNECICOZQKRJ-QWRGUYRKSA-N 1 2 298.383 1.951 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NC(=O)NC1CCCCC1 ZINC000293144444 378541216 /nfs/dbraw/zinc/54/12/16/378541216.db2.gz NRJMHUFZLCOCPH-UHFFFAOYSA-N 1 2 265.357 1.100 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NC(=O)NC1CCCCC1 ZINC000293144444 378541224 /nfs/dbraw/zinc/54/12/24/378541224.db2.gz NRJMHUFZLCOCPH-UHFFFAOYSA-N 1 2 265.357 1.100 20 30 CDEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000293348336 378568763 /nfs/dbraw/zinc/56/87/63/378568763.db2.gz ZBROKYCCIRPSOS-NSHDSACASA-N 1 2 275.308 1.877 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000293348336 378568768 /nfs/dbraw/zinc/56/87/68/378568768.db2.gz ZBROKYCCIRPSOS-NSHDSACASA-N 1 2 275.308 1.877 20 30 CDEDLO C#C[C@H](C)NC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000186090448 378855169 /nfs/dbraw/zinc/85/51/69/378855169.db2.gz MOJZHCIQHHISOF-GWCFXTLKSA-N 1 2 295.333 1.888 20 30 CDEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000443743267 250051908 /nfs/dbraw/zinc/05/19/08/250051908.db2.gz FNGXMPWWORQSPX-UHFFFAOYSA-N 1 2 299.783 1.196 20 30 CDEDLO CCn1cc[nH+]c1CNC(=O)CNc1ccc(C#N)cc1 ZINC000452578262 252100127 /nfs/dbraw/zinc/10/01/27/252100127.db2.gz ZMVKEWMWZPROSZ-UHFFFAOYSA-N 1 2 283.335 1.503 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)/C=C\c2ccc(C#N)cc2)C1 ZINC000491318530 253074767 /nfs/dbraw/zinc/07/47/67/253074767.db2.gz FVWMKBIMQCWPLU-XHPSBEMXSA-N 1 2 285.347 1.018 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNC(=O)/C=C\c2ccc(C#N)cc2)C1 ZINC000491318530 253074768 /nfs/dbraw/zinc/07/47/68/253074768.db2.gz FVWMKBIMQCWPLU-XHPSBEMXSA-N 1 2 285.347 1.018 20 30 CDEDLO C#C[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C(C)C ZINC000281122723 195112381 /nfs/dbraw/zinc/11/23/81/195112381.db2.gz SJYMTISOBWQAAV-CYBMUJFWSA-N 1 2 274.368 1.957 20 30 CDEDLO C#C[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)C(C)C ZINC000281173653 195135120 /nfs/dbraw/zinc/13/51/20/195135120.db2.gz YAZIGQSRFBSWSP-CYBMUJFWSA-N 1 2 262.357 1.572 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(C(=O)OC)co2)C1=O ZINC000281188232 195141085 /nfs/dbraw/zinc/14/10/85/195141085.db2.gz IDXYZLPTQDUWMH-ZDUSSCGKSA-N 1 2 292.335 1.285 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(C(=O)OC)co2)C1=O ZINC000281188232 195141087 /nfs/dbraw/zinc/14/10/87/195141087.db2.gz IDXYZLPTQDUWMH-ZDUSSCGKSA-N 1 2 292.335 1.285 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)NC(C)(C)CC)C1=O ZINC000281231078 195159309 /nfs/dbraw/zinc/15/93/09/195159309.db2.gz FKUBLSOMJHDIJT-QWHCGFSZSA-N 1 2 295.427 1.398 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)NC(C)(C)CC)C1=O ZINC000281231078 195159311 /nfs/dbraw/zinc/15/93/11/195159311.db2.gz FKUBLSOMJHDIJT-QWHCGFSZSA-N 1 2 295.427 1.398 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](CCC)[C@@H](CC)C(=O)OCC)C1=O ZINC000281276182 195177979 /nfs/dbraw/zinc/17/79/79/195177979.db2.gz IKHOHEOQSLFZPA-UONOGXRCSA-N 1 2 296.411 1.827 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](CCC)[C@@H](CC)C(=O)OCC)C1=O ZINC000281276182 195177982 /nfs/dbraw/zinc/17/79/82/195177982.db2.gz IKHOHEOQSLFZPA-UONOGXRCSA-N 1 2 296.411 1.827 20 30 CDEDLO COc1cc(C[NH2+][C@H](C)c2ncnn2C)ccc1C#N ZINC000281446772 195243370 /nfs/dbraw/zinc/24/33/70/195243370.db2.gz ABCPFLHJGZFTCS-SNVBAGLBSA-N 1 2 271.324 1.546 20 30 CDEDLO C[C@@H](C#N)OCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000497122634 260009110 /nfs/dbraw/zinc/00/91/10/260009110.db2.gz BLOHXCRSILBELX-OLZOCXBDSA-N 1 2 297.399 1.856 20 30 CDEDLO C[C@@H](C#N)OCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000497122634 260009112 /nfs/dbraw/zinc/00/91/12/260009112.db2.gz BLOHXCRSILBELX-OLZOCXBDSA-N 1 2 297.399 1.856 20 30 CDEDLO Cn1cc(CCC/[NH+]=C/c2ccc(O)c(O)c2O)cn1 ZINC000102598375 390466631 /nfs/dbraw/zinc/46/66/31/390466631.db2.gz IVWZORMKKQTWCY-OVCLIPMQSA-N 1 2 275.308 1.589 20 30 CDEDLO CCCNC(=O)CO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000106067362 390531084 /nfs/dbraw/zinc/53/10/84/390531084.db2.gz YEGFSFYSSZIGPL-UHFFFAOYSA-N 1 2 283.759 1.698 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C(C)(C)C(N)=O ZINC000451134882 390602414 /nfs/dbraw/zinc/60/24/14/390602414.db2.gz KDWUVTFWRIGCOE-UHFFFAOYSA-N 1 2 297.305 1.855 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C(C)(C)C(N)=O ZINC000451134882 390602416 /nfs/dbraw/zinc/60/24/16/390602416.db2.gz KDWUVTFWRIGCOE-UHFFFAOYSA-N 1 2 297.305 1.855 20 30 CDEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1ccccn1 ZINC000120268290 390867255 /nfs/dbraw/zinc/86/72/55/390867255.db2.gz UTHZORXFONEYMS-LLVKDONJSA-N 1 2 251.330 1.932 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCSC[C@H]1C ZINC000172592702 390817817 /nfs/dbraw/zinc/81/78/17/390817817.db2.gz AOODPOHBJZSLEJ-YPMHNXCESA-N 1 2 269.414 1.478 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCSC[C@H]1C ZINC000172592702 390817819 /nfs/dbraw/zinc/81/78/19/390817819.db2.gz AOODPOHBJZSLEJ-YPMHNXCESA-N 1 2 269.414 1.478 20 30 CDEDLO NC(CCO)=[NH+]O[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000121315238 390883532 /nfs/dbraw/zinc/88/35/32/390883532.db2.gz XOKFWNGYCKELJL-NSHDSACASA-N 1 2 297.742 1.117 20 30 CDEDLO C[C@H](NC(=O)CO[NH+]=C(N)CCO)c1ccccc1Cl ZINC000121416818 390885817 /nfs/dbraw/zinc/88/58/17/390885817.db2.gz CQXDVSVVYNUBKR-VIFPVBQESA-N 1 2 299.758 1.188 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000155221863 390917783 /nfs/dbraw/zinc/91/77/83/390917783.db2.gz VMKAVIULRLAMNW-QWRGUYRKSA-N 1 2 282.388 1.481 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000155221863 390917784 /nfs/dbraw/zinc/91/77/84/390917784.db2.gz VMKAVIULRLAMNW-QWRGUYRKSA-N 1 2 282.388 1.481 20 30 CDEDLO Cc1noc(C)c1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000126243428 390920467 /nfs/dbraw/zinc/92/04/67/390920467.db2.gz UIIDTTUNBATEEN-UHFFFAOYSA-N 1 2 292.383 1.339 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)N1CCC[C@H]1C1CCOCC1 ZINC000329417812 390983157 /nfs/dbraw/zinc/98/31/57/390983157.db2.gz DMOMKCXKFZMBEX-ZDUSSCGKSA-N 1 2 292.383 1.725 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)C(=O)NC1(c2nnc[nH]2)CCC1 ZINC000329488882 390997656 /nfs/dbraw/zinc/99/76/56/390997656.db2.gz HGNFBABEZRVUHT-NSHDSACASA-N 1 2 293.371 1.109 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cncnc1)CCC2 ZINC000329514847 391002518 /nfs/dbraw/zinc/00/25/18/391002518.db2.gz MBRWWLOTSGKWTG-LLVKDONJSA-N 1 2 271.324 1.864 20 30 CDEDLO Cc1cc(C)nc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000329637686 391055933 /nfs/dbraw/zinc/05/59/33/391055933.db2.gz VSJSJURZGIVZAH-STQMWFEESA-N 1 2 290.367 1.259 20 30 CDEDLO Cc1cc(C)nc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000329637686 391055939 /nfs/dbraw/zinc/05/59/39/391055939.db2.gz VSJSJURZGIVZAH-STQMWFEESA-N 1 2 290.367 1.259 20 30 CDEDLO N#CCCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000373576304 391123891 /nfs/dbraw/zinc/12/38/91/391123891.db2.gz JYHOUTCBUSMDET-ZDUSSCGKSA-N 1 2 265.357 1.050 20 30 CDEDLO N#CCCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000373576304 391123895 /nfs/dbraw/zinc/12/38/95/391123895.db2.gz JYHOUTCBUSMDET-ZDUSSCGKSA-N 1 2 265.357 1.050 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000491461965 391136773 /nfs/dbraw/zinc/13/67/73/391136773.db2.gz GFIKYWSEXQKNGJ-OAHLLOKOSA-N 1 2 267.332 1.706 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000491461965 391136776 /nfs/dbraw/zinc/13/67/76/391136776.db2.gz GFIKYWSEXQKNGJ-OAHLLOKOSA-N 1 2 267.332 1.706 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000334106705 391137268 /nfs/dbraw/zinc/13/72/68/391137268.db2.gz YOLVRGJODRHTEH-XQQFMLRXSA-N 1 2 290.367 1.642 20 30 CDEDLO C=CCOc1ccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000338675239 391220331 /nfs/dbraw/zinc/22/03/31/391220331.db2.gz NCXFKHNVVATQLB-HNNXBMFYSA-N 1 2 290.363 1.312 20 30 CDEDLO C=CCOc1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000338675239 391220333 /nfs/dbraw/zinc/22/03/33/391220333.db2.gz NCXFKHNVVATQLB-HNNXBMFYSA-N 1 2 290.363 1.312 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182003191 391228904 /nfs/dbraw/zinc/22/89/04/391228904.db2.gz VNZOOZTZKQQJBM-RYUDHWBXSA-N 1 2 293.323 1.568 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182003191 391228906 /nfs/dbraw/zinc/22/89/06/391228906.db2.gz VNZOOZTZKQQJBM-RYUDHWBXSA-N 1 2 293.323 1.568 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)[C@H]2COC[C@@H]2O)c1C ZINC000352816680 391205312 /nfs/dbraw/zinc/20/53/12/391205312.db2.gz PPHYVMUIXYBEHV-HOCLYGCPSA-N 1 2 292.379 1.165 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@H]2COC[C@@H]2O)c1C ZINC000352816680 391205316 /nfs/dbraw/zinc/20/53/16/391205316.db2.gz PPHYVMUIXYBEHV-HOCLYGCPSA-N 1 2 292.379 1.165 20 30 CDEDLO CC(C)(C)[C@@H](C#N)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000267949723 391207513 /nfs/dbraw/zinc/20/75/13/391207513.db2.gz BHCHGJUIJFCFMY-GFCCVEGCSA-N 1 2 270.336 1.931 20 30 CDEDLO COC(=O)c1ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000122783829 391208229 /nfs/dbraw/zinc/20/82/29/391208229.db2.gz RMXJBYMHLGZWFD-CYBMUJFWSA-N 1 2 292.335 1.058 20 30 CDEDLO COC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000122783829 391208231 /nfs/dbraw/zinc/20/82/31/391208231.db2.gz RMXJBYMHLGZWFD-CYBMUJFWSA-N 1 2 292.335 1.058 20 30 CDEDLO C=CCNC(=O)CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000302024290 391291811 /nfs/dbraw/zinc/29/18/11/391291811.db2.gz HAJMMYYGNMAMGV-UHFFFAOYSA-N 1 2 288.355 1.295 20 30 CDEDLO COC(=O)C(C)(C)[N@H+](C)Cc1cc(C#N)ccc1OC ZINC000440318213 391335531 /nfs/dbraw/zinc/33/55/31/391335531.db2.gz UAKPWYQWXPMYIH-UHFFFAOYSA-N 1 2 276.336 1.950 20 30 CDEDLO COC(=O)C(C)(C)[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000440318213 391335535 /nfs/dbraw/zinc/33/55/35/391335535.db2.gz UAKPWYQWXPMYIH-UHFFFAOYSA-N 1 2 276.336 1.950 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000345823681 391318490 /nfs/dbraw/zinc/31/84/90/391318490.db2.gz XUYJBAVSBMHWIU-IJLUTSLNSA-N 1 2 265.357 1.047 20 30 CDEDLO Cc1cc(CN2C[C@@H](F)C[C@H]2C[N@H+](C)CCC#N)on1 ZINC000332625054 533632246 /nfs/dbraw/zinc/63/22/46/533632246.db2.gz GZSGXMRTJNZEOR-STQMWFEESA-N 1 2 280.347 1.741 20 30 CDEDLO Cc1cc(CN2C[C@@H](F)C[C@H]2C[N@@H+](C)CCC#N)on1 ZINC000332625054 533632255 /nfs/dbraw/zinc/63/22/55/533632255.db2.gz GZSGXMRTJNZEOR-STQMWFEESA-N 1 2 280.347 1.741 20 30 CDEDLO CC(=O)NC[C@H]1C[N@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000411279195 391422957 /nfs/dbraw/zinc/42/29/57/391422957.db2.gz QYYCXTQPIVOQBQ-HNNXBMFYSA-N 1 2 293.411 1.687 20 30 CDEDLO CC(=O)NC[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000411279195 391422963 /nfs/dbraw/zinc/42/29/63/391422963.db2.gz QYYCXTQPIVOQBQ-HNNXBMFYSA-N 1 2 293.411 1.687 20 30 CDEDLO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H](C)CC#N)c(C)[nH+]1 ZINC000411395939 391441653 /nfs/dbraw/zinc/44/16/53/391441653.db2.gz IVNIUXNXLHMCAT-NSHDSACASA-N 1 2 288.351 1.706 20 30 CDEDLO CC[C@](C)(C#N)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000349640100 391567973 /nfs/dbraw/zinc/56/79/73/391567973.db2.gz BKSZVAAIUHHDJX-GDBMZVCRSA-N 1 2 295.427 1.789 20 30 CDEDLO C=C[C@H](CO)NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000350007707 391590550 /nfs/dbraw/zinc/59/05/50/391590550.db2.gz MOTJYLBMGPQQSF-SNVBAGLBSA-N 1 2 260.297 1.311 20 30 CDEDLO C#CCNC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000280380459 391651065 /nfs/dbraw/zinc/65/10/65/391651065.db2.gz LRKZGBSHKAIOJN-LBPRGKRZSA-N 1 2 260.341 1.773 20 30 CDEDLO C=CCN1CC[C@@H](N2CC[NH+](Cc3ccco3)CC2)C1=O ZINC000281983297 391667525 /nfs/dbraw/zinc/66/75/25/391667525.db2.gz MCDIDUYIXGCVNW-OAHLLOKOSA-N 1 2 289.379 1.184 20 30 CDEDLO C=CCN1CC[C@@H]([NH+]2CCN(Cc3ccco3)CC2)C1=O ZINC000281983297 391667528 /nfs/dbraw/zinc/66/75/28/391667528.db2.gz MCDIDUYIXGCVNW-OAHLLOKOSA-N 1 2 289.379 1.184 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)C)C1)C(=O)OC ZINC000361106708 391681484 /nfs/dbraw/zinc/68/14/84/391681484.db2.gz GIJGPVCHRDAVMN-HZSPNIEDSA-N 1 2 285.384 1.524 20 30 CDEDLO N#Cc1ccnc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c1 ZINC000367443530 391732048 /nfs/dbraw/zinc/73/20/48/391732048.db2.gz RSCSVMLYOUTODB-AWEZNQCLSA-N 1 2 283.335 1.626 20 30 CDEDLO COCCC1(C)CN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329750959 391770966 /nfs/dbraw/zinc/77/09/66/391770966.db2.gz VHBXUPPIOYRATG-NSHDSACASA-N 1 2 292.383 1.539 20 30 CDEDLO COCCC1(C)CN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329750959 391770969 /nfs/dbraw/zinc/77/09/69/391770969.db2.gz VHBXUPPIOYRATG-NSHDSACASA-N 1 2 292.383 1.539 20 30 CDEDLO [O-]C(N[C@H]1CCc2[nH]c[nH+]c2C1)=[NH+]C1(C(F)F)CC1 ZINC000329753931 391772271 /nfs/dbraw/zinc/77/22/71/391772271.db2.gz XBJBZOGHNSGPPA-ZETCQYMHSA-N 1 2 270.283 1.568 20 30 CDEDLO [O-]C(N[C@H]1CCc2[nH+]c[nH]c2C1)=[NH+]C1(C(F)F)CC1 ZINC000329753931 391772276 /nfs/dbraw/zinc/77/22/76/391772276.db2.gz XBJBZOGHNSGPPA-ZETCQYMHSA-N 1 2 270.283 1.568 20 30 CDEDLO N#Cc1cccc(NCC(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000494994915 391902312 /nfs/dbraw/zinc/90/23/12/391902312.db2.gz IQJTYONHFAYDJK-UHFFFAOYSA-N 1 2 269.308 1.052 20 30 CDEDLO C[C@@H]1[N@H+](CC(=O)NC2(C#N)CCCCC2)CCOC1(C)C ZINC000408317923 391915546 /nfs/dbraw/zinc/91/55/46/391915546.db2.gz BGLQFMSPHJSJAZ-ZDUSSCGKSA-N 1 2 293.411 1.828 20 30 CDEDLO C[C@@H]1[N@@H+](CC(=O)NC2(C#N)CCCCC2)CCOC1(C)C ZINC000408317923 391915549 /nfs/dbraw/zinc/91/55/49/391915549.db2.gz BGLQFMSPHJSJAZ-ZDUSSCGKSA-N 1 2 293.411 1.828 20 30 CDEDLO CCS(=O)(=O)CC[N@H+](C)CCOc1ccccc1C#N ZINC000172398332 391968173 /nfs/dbraw/zinc/96/81/73/391968173.db2.gz PFNQHHIDJUCDSR-UHFFFAOYSA-N 1 2 296.392 1.304 20 30 CDEDLO CCS(=O)(=O)CC[N@@H+](C)CCOc1ccccc1C#N ZINC000172398332 391968175 /nfs/dbraw/zinc/96/81/75/391968175.db2.gz PFNQHHIDJUCDSR-UHFFFAOYSA-N 1 2 296.392 1.304 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000263719280 131315888 /nfs/dbraw/zinc/31/58/88/131315888.db2.gz OGCLLQPUHMZNBB-AWEZNQCLSA-N 1 2 298.390 1.371 20 30 CDEDLO COc1cc(C[NH2+]Cc2nc(N(C)C)no2)ccc1C#N ZINC000442861154 392501100 /nfs/dbraw/zinc/50/11/00/392501100.db2.gz ZSMGENHYYFAXLV-UHFFFAOYSA-N 1 2 287.323 1.306 20 30 CDEDLO CCc1c[nH+]ccc1NC(=O)c1ccc(C#N)c(C)n1 ZINC000357578700 392745224 /nfs/dbraw/zinc/74/52/24/392745224.db2.gz CXOXIWCZIHMAPG-UHFFFAOYSA-N 1 2 266.304 1.893 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000517038702 392820861 /nfs/dbraw/zinc/82/08/61/392820861.db2.gz KSHZLJSFIWVBMV-NSHDSACASA-N 1 2 273.336 1.846 20 30 CDEDLO CC(=O)NC[C@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425218628 392995927 /nfs/dbraw/zinc/99/59/27/392995927.db2.gz YWZSXVKSTDQVLL-CYBMUJFWSA-N 1 2 272.352 1.614 20 30 CDEDLO Cc1cncc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000131088496 392995974 /nfs/dbraw/zinc/99/59/74/392995974.db2.gz JANRSDQWSISUSR-HNNXBMFYSA-N 1 2 280.331 1.578 20 30 CDEDLO Cc1cc(N[C@H]2CCC[C@H](C(=O)N(C)C)C2)c(C#N)c[nH+]1 ZINC000425223834 392997477 /nfs/dbraw/zinc/99/74/77/392997477.db2.gz IXKDSMBEXWNVDH-JSGCOSHPSA-N 1 2 286.379 1.743 20 30 CDEDLO CC(=O)N1CC[C@@H](CN(C)c2cc(C)[nH+]cc2C#N)C1 ZINC000425243796 393002038 /nfs/dbraw/zinc/00/20/38/393002038.db2.gz GHGCHQFUMFOVIL-ZDUSSCGKSA-N 1 2 272.352 1.566 20 30 CDEDLO COc1ncccc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115596398 147266152 /nfs/dbraw/zinc/26/61/52/147266152.db2.gz BIQJYMLAIAHWKX-AWEZNQCLSA-N 1 2 296.330 1.278 20 30 CDEDLO CCNC(=O)C[N@H+](CC)Cc1cc(C#N)cs1 ZINC000119340027 147310584 /nfs/dbraw/zinc/31/05/84/147310584.db2.gz UYYIQOCHPPQMHG-UHFFFAOYSA-N 1 2 251.355 1.578 20 30 CDEDLO CCNC(=O)C[N@@H+](CC)Cc1cc(C#N)cs1 ZINC000119340027 147310586 /nfs/dbraw/zinc/31/05/86/147310586.db2.gz UYYIQOCHPPQMHG-UHFFFAOYSA-N 1 2 251.355 1.578 20 30 CDEDLO N#Cc1ccccc1S(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000125200985 147476844 /nfs/dbraw/zinc/47/68/44/147476844.db2.gz WNADJISVRSBHOQ-UHFFFAOYSA-N 1 2 285.328 1.705 20 30 CDEDLO N#Cc1cccc(CCNC(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000336020644 151202324 /nfs/dbraw/zinc/20/23/24/151202324.db2.gz QKCOJRXAWQNFAV-UHFFFAOYSA-N 1 2 295.346 1.523 20 30 CDEDLO N#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)s1 ZINC000343368752 152143003 /nfs/dbraw/zinc/14/30/03/152143003.db2.gz XGLMIQIGCRFLRK-LLVKDONJSA-N 1 2 291.376 1.213 20 30 CDEDLO N#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)s1 ZINC000343368752 152143004 /nfs/dbraw/zinc/14/30/04/152143004.db2.gz XGLMIQIGCRFLRK-LLVKDONJSA-N 1 2 291.376 1.213 20 30 CDEDLO COc1cccc2c(NCCn3cnc(C#N)n3)cc[nH+]c12 ZINC000343546185 152217955 /nfs/dbraw/zinc/21/79/55/152217955.db2.gz PYMPRTXQTSIXAH-UHFFFAOYSA-N 1 2 294.318 1.819 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)Cc1c(F)cccc1C#N ZINC000352703385 155378692 /nfs/dbraw/zinc/37/86/92/155378692.db2.gz DACINOABPRWABS-UHFFFAOYSA-N 1 2 272.283 1.622 20 30 CDEDLO CCn1cc(C[N@H+](CCO)Cc2ccc(C#N)o2)cn1 ZINC000355472063 157070555 /nfs/dbraw/zinc/07/05/55/157070555.db2.gz MJVKGBIUWXTMIZ-UHFFFAOYSA-N 1 2 274.324 1.362 20 30 CDEDLO CCn1cc(C[N@@H+](CCO)Cc2ccc(C#N)o2)cn1 ZINC000355472063 157070558 /nfs/dbraw/zinc/07/05/58/157070558.db2.gz MJVKGBIUWXTMIZ-UHFFFAOYSA-N 1 2 274.324 1.362 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)s1 ZINC000362948241 159274814 /nfs/dbraw/zinc/27/48/14/159274814.db2.gz GPGHHDXSPBLKAH-SECBINFHSA-N 1 2 260.322 1.635 20 30 CDEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1cnc(C#N)cn1 ZINC000372988992 160163297 /nfs/dbraw/zinc/16/32/97/160163297.db2.gz HGKAFSAWWATDMN-UHFFFAOYSA-N 1 2 268.324 1.517 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661123653 413811255 /nfs/dbraw/zinc/81/12/55/413811255.db2.gz QPZJRLJBRORLOA-KGLIPLIRSA-N 1 2 281.400 1.457 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2cnccc2C)nn1 ZINC000657482312 414387175 /nfs/dbraw/zinc/38/71/75/414387175.db2.gz UEHKHLVTUUSPLP-UHFFFAOYSA-N 1 2 257.341 1.847 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@H](CC)c1nnc2n1CCCCC2 ZINC000661937045 414433007 /nfs/dbraw/zinc/43/30/07/414433007.db2.gz IVUZLHKJEJXECA-GFCCVEGCSA-N 1 2 291.399 1.347 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1nc(Cc2ccccc2C)no1 ZINC000662166758 414546807 /nfs/dbraw/zinc/54/68/07/414546807.db2.gz FWJYDIMLNFCYBS-CYBMUJFWSA-N 1 2 273.336 1.605 20 30 CDEDLO C#CCN1C(=O)c2ccccc2N[C@H]1c1c[nH]c[nH+]1 ZINC000078756621 177382466 /nfs/dbraw/zinc/38/24/66/177382466.db2.gz FXNCZVMGEYLOPX-CYBMUJFWSA-N 1 2 252.277 1.609 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCC=C(c3ccco3)C2)CCC1 ZINC000352571178 227072646 /nfs/dbraw/zinc/07/26/46/227072646.db2.gz RDNOUDFJOXGFKR-UHFFFAOYSA-N 1 2 285.347 1.931 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCC=C(c3ccco3)C2)CCC1 ZINC000352571178 227072651 /nfs/dbraw/zinc/07/26/51/227072651.db2.gz RDNOUDFJOXGFKR-UHFFFAOYSA-N 1 2 285.347 1.931 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352686315 227161332 /nfs/dbraw/zinc/16/13/32/227161332.db2.gz NAYWLEUROGXIJR-UTUOFQBUSA-N 1 2 289.301 1.923 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352686315 227161335 /nfs/dbraw/zinc/16/13/35/227161335.db2.gz NAYWLEUROGXIJR-UTUOFQBUSA-N 1 2 289.301 1.923 20 30 CDEDLO Cc1nc(CCNC(=O)[C@H](C)[NH+]2CCOCC2)c(C)o1 ZINC000329021829 227261256 /nfs/dbraw/zinc/26/12/56/227261256.db2.gz MIKJEKZMSRVQOD-JTQLQIEISA-N 1 2 281.356 1.511 20 30 CDEDLO O=C(NCCC1(O)CCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329104917 227301058 /nfs/dbraw/zinc/30/10/58/227301058.db2.gz CTBPYVWMVVNFAE-LLVKDONJSA-N 1 2 263.341 1.707 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000332176232 228151193 /nfs/dbraw/zinc/15/11/93/228151193.db2.gz XKTXDIMEKPDMNI-UONOGXRCSA-N 1 2 299.378 1.605 20 30 CDEDLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@H+](CCCC(C)(C)C#N)C1 ZINC000332327919 260001501 /nfs/dbraw/zinc/00/15/01/260001501.db2.gz BAMTTYDFHPHZDR-NEPJUHHUSA-N 1 2 277.372 1.896 20 30 CDEDLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@@H+](CCCC(C)(C)C#N)C1 ZINC000332327919 260001502 /nfs/dbraw/zinc/00/15/02/260001502.db2.gz BAMTTYDFHPHZDR-NEPJUHHUSA-N 1 2 277.372 1.896 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000299196676 260174184 /nfs/dbraw/zinc/17/41/84/260174184.db2.gz FEQYQYFZZANHKP-CQSZACIVSA-N 1 2 286.350 1.741 20 30 CDEDLO C=CCC[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(=O)OCC ZINC000521897548 260224636 /nfs/dbraw/zinc/22/46/36/260224636.db2.gz FYSKDRHWWWWZIR-DGCLKSJQSA-N 1 2 293.367 1.602 20 30 CDEDLO C=CCC[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(=O)OCC ZINC000521897548 260224637 /nfs/dbraw/zinc/22/46/37/260224637.db2.gz FYSKDRHWWWWZIR-DGCLKSJQSA-N 1 2 293.367 1.602 20 30 CDEDLO CC(C)[C@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)CCO1 ZINC000408141392 260287542 /nfs/dbraw/zinc/28/75/42/260287542.db2.gz WLVNNTVOQAWKFX-CQSZACIVSA-N 1 2 293.411 1.686 20 30 CDEDLO CC(C)[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)CCO1 ZINC000408141392 260287543 /nfs/dbraw/zinc/28/75/43/260287543.db2.gz WLVNNTVOQAWKFX-CQSZACIVSA-N 1 2 293.411 1.686 20 30 CDEDLO Cc1cc(N)nc(SCC(=O)N[C@](C)(C#N)C(C)C)[nH+]1 ZINC000007048627 261376724 /nfs/dbraw/zinc/37/67/24/261376724.db2.gz DTTYNRJDGVFMQX-CYBMUJFWSA-N 1 2 293.396 1.514 20 30 CDEDLO Cc1csc(C(C#N)C(=O)Cn2cc[nH+]c2C)n1 ZINC000180012282 261831482 /nfs/dbraw/zinc/83/14/82/261831482.db2.gz IDYMADBOPCATCS-SNVBAGLBSA-N 1 2 260.322 1.833 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1c(C)nn(C)c1N1CCOCC1 ZINC000184093580 262009293 /nfs/dbraw/zinc/00/92/93/262009293.db2.gz OMTWXYGXAGGRNY-CYBMUJFWSA-N 1 2 291.399 1.347 20 30 CDEDLO C=CCn1cccc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000488461553 262326113 /nfs/dbraw/zinc/32/61/13/262326113.db2.gz GKVPFMCEIDXPKP-LBPRGKRZSA-N 1 2 258.325 1.689 20 30 CDEDLO C[C@@H](C#N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000311716424 262339995 /nfs/dbraw/zinc/33/99/95/262339995.db2.gz WZHSALGDDCLOGL-ZFWWWQNUSA-N 1 2 287.363 1.163 20 30 CDEDLO C[C@@H](C#N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000311716424 262339996 /nfs/dbraw/zinc/33/99/96/262339996.db2.gz WZHSALGDDCLOGL-ZFWWWQNUSA-N 1 2 287.363 1.163 20 30 CDEDLO CN(C)S(=O)(=O)CC[N@H+](CCC#N)CC(C)(C)C ZINC000336785571 262394712 /nfs/dbraw/zinc/39/47/12/262394712.db2.gz FJHYVPVLEUBJAG-UHFFFAOYSA-N 1 2 275.418 1.140 20 30 CDEDLO CN(C)S(=O)(=O)CC[N@@H+](CCC#N)CC(C)(C)C ZINC000336785571 262394714 /nfs/dbraw/zinc/39/47/14/262394714.db2.gz FJHYVPVLEUBJAG-UHFFFAOYSA-N 1 2 275.418 1.140 20 30 CDEDLO C=C(C)CN(CC)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000430254927 263004356 /nfs/dbraw/zinc/00/43/56/263004356.db2.gz VVQGHKDITMSAHT-LBPRGKRZSA-N 1 2 262.357 1.806 20 30 CDEDLO CCN(C)C(=O)CO[NH+]=C(N)Cc1ccccc1Cl ZINC000273411677 263016705 /nfs/dbraw/zinc/01/67/05/263016705.db2.gz DDXGAPOETZVQFC-UHFFFAOYSA-N 1 2 283.759 1.650 20 30 CDEDLO C#CC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CC1 ZINC000274211266 263022123 /nfs/dbraw/zinc/02/21/23/263022123.db2.gz TVCOXWFJYDPCKX-UHFFFAOYSA-N 1 2 273.380 1.769 20 30 CDEDLO C#CC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CC1 ZINC000274211266 263022124 /nfs/dbraw/zinc/02/21/24/263022124.db2.gz TVCOXWFJYDPCKX-UHFFFAOYSA-N 1 2 273.380 1.769 20 30 CDEDLO C[N@H+](CCCSCC#N)Cc1ncnn1CC(F)F ZINC000279035753 263052476 /nfs/dbraw/zinc/05/24/76/263052476.db2.gz XBUSNBPYMZLEPN-UHFFFAOYSA-N 1 2 289.355 1.622 20 30 CDEDLO C[N@@H+](CCCSCC#N)Cc1ncnn1CC(F)F ZINC000279035753 263052477 /nfs/dbraw/zinc/05/24/77/263052477.db2.gz XBUSNBPYMZLEPN-UHFFFAOYSA-N 1 2 289.355 1.622 20 30 CDEDLO COC(=O)c1coc(CO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000284499902 263087237 /nfs/dbraw/zinc/08/72/37/263087237.db2.gz SVRCXORRRIQFGB-SNVBAGLBSA-N 1 2 268.269 1.034 20 30 CDEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1c(F)cncc1F ZINC000285812619 263095826 /nfs/dbraw/zinc/09/58/26/263095826.db2.gz VAMZQJZQFOILID-SNVBAGLBSA-N 1 2 296.321 1.773 20 30 CDEDLO NC(=[NH+]OCC[C@H](O)c1ccccc1)[C@@H]1CCCO1 ZINC000288442040 263104372 /nfs/dbraw/zinc/10/43/72/263104372.db2.gz FCFPVEZQBIRLGW-STQMWFEESA-N 1 2 264.325 1.578 20 30 CDEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(C(=O)c3ccccn3)CC2)C1 ZINC000292772506 263134813 /nfs/dbraw/zinc/13/48/13/263134813.db2.gz JUHZZDKBTCKGKN-KGLIPLIRSA-N 1 2 284.363 1.532 20 30 CDEDLO CC#CCN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000341094301 263321745 /nfs/dbraw/zinc/32/17/45/263321745.db2.gz URKUXICZKIPTIF-CQSZACIVSA-N 1 2 264.369 1.112 20 30 CDEDLO CC#CCN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000341094301 263321746 /nfs/dbraw/zinc/32/17/46/263321746.db2.gz URKUXICZKIPTIF-CQSZACIVSA-N 1 2 264.369 1.112 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000341701889 263346796 /nfs/dbraw/zinc/34/67/96/263346796.db2.gz BFZAPQZTLIBKAU-AAEUAGOBSA-N 1 2 277.368 1.969 20 30 CDEDLO COc1ccsc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330644778 263985981 /nfs/dbraw/zinc/98/59/81/263985981.db2.gz FOBYJUGXAVQEBI-SNVBAGLBSA-N 1 2 284.381 1.782 20 30 CDEDLO COc1ccsc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330644778 263985983 /nfs/dbraw/zinc/98/59/83/263985983.db2.gz FOBYJUGXAVQEBI-SNVBAGLBSA-N 1 2 284.381 1.782 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)NCCC(F)(F)F ZINC000330935807 264080617 /nfs/dbraw/zinc/08/06/17/264080617.db2.gz PDEFAZUXORFWFG-UHFFFAOYSA-N 1 2 250.224 1.376 20 30 CDEDLO CC[C@H](C)C[C@H](C)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000330933499 264096531 /nfs/dbraw/zinc/09/65/31/264096531.db2.gz DEHNFSNLASZJIV-AVGNSLFASA-N 1 2 271.405 1.645 20 30 CDEDLO CC[C@H](C)C[C@H](C)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000330933499 264096533 /nfs/dbraw/zinc/09/65/33/264096533.db2.gz DEHNFSNLASZJIV-AVGNSLFASA-N 1 2 271.405 1.645 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)C1=CCOCC1 ZINC000331045838 264108513 /nfs/dbraw/zinc/10/85/13/264108513.db2.gz FUJDJAIMRRKROC-UHFFFAOYSA-N 1 2 268.357 1.400 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)C1=CCOCC1 ZINC000331045838 264108516 /nfs/dbraw/zinc/10/85/16/264108516.db2.gz FUJDJAIMRRKROC-UHFFFAOYSA-N 1 2 268.357 1.400 20 30 CDEDLO Cc1cc[nH]c1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000331243216 264178011 /nfs/dbraw/zinc/17/80/11/264178011.db2.gz YVZIBYYICZCTON-NSHDSACASA-N 1 2 251.330 1.348 20 30 CDEDLO Cc1ncsc1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000331317280 264188007 /nfs/dbraw/zinc/18/80/07/264188007.db2.gz DFNDEFFUOJNSEE-UHFFFAOYSA-N 1 2 283.397 1.867 20 30 CDEDLO CCc1ocnc1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000331354591 264207797 /nfs/dbraw/zinc/20/77/97/264207797.db2.gz PQLHYSSHPGJVCD-UHFFFAOYSA-N 1 2 281.356 1.652 20 30 CDEDLO C=CCCn1cc(C(=O)N[C@@H](C)c2[nH+]ccn2CC)nn1 ZINC000424869887 264257458 /nfs/dbraw/zinc/25/74/58/264257458.db2.gz KJARMKDTXUXYBD-NSHDSACASA-N 1 2 288.355 1.562 20 30 CDEDLO CCCCCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000515185027 267004114 /nfs/dbraw/zinc/00/41/14/267004114.db2.gz RHWLPJUXHWOTCW-UHFFFAOYSA-N 1 2 289.379 1.742 20 30 CDEDLO O=C(C#Cc1ccccc1)N1CCn2c[nH+]cc2C1 ZINC000368215590 267152967 /nfs/dbraw/zinc/15/29/67/267152967.db2.gz PKZBDMUEOIFLHD-UHFFFAOYSA-N 1 2 251.289 1.277 20 30 CDEDLO N#C[C@@H]1[N@H+](C[C@@H]2CCOC2)CCC[C@]12CCCCO2 ZINC000369391149 267239328 /nfs/dbraw/zinc/23/93/28/267239328.db2.gz JGBURUKEWWKDGP-SOUVJXGZSA-N 1 2 264.369 1.950 20 30 CDEDLO N#C[C@@H]1[N@@H+](C[C@@H]2CCOC2)CCC[C@]12CCCCO2 ZINC000369391149 267239330 /nfs/dbraw/zinc/23/93/30/267239330.db2.gz JGBURUKEWWKDGP-SOUVJXGZSA-N 1 2 264.369 1.950 20 30 CDEDLO Cc1cc(N2CCN(c3cccc[nH+]3)CC2)c(C#N)cn1 ZINC000399379750 267339505 /nfs/dbraw/zinc/33/95/05/267339505.db2.gz IFEHAZSSPVGQBG-UHFFFAOYSA-N 1 2 279.347 1.983 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](C)[C@H](CO)C1 ZINC000362085232 277385609 /nfs/dbraw/zinc/38/56/09/277385609.db2.gz GCTVFHGPBMQWEP-CQDKDKBSSA-N 1 2 288.347 1.333 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H](C)[C@H](CO)C1 ZINC000362085232 277385611 /nfs/dbraw/zinc/38/56/11/277385611.db2.gz GCTVFHGPBMQWEP-CQDKDKBSSA-N 1 2 288.347 1.333 20 30 CDEDLO CC[N@H+](Cc1nc(N)nc(N)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000173222091 279243078 /nfs/dbraw/zinc/24/30/78/279243078.db2.gz WLESDQMXLYGADA-JTQLQIEISA-N 1 2 297.366 1.491 20 30 CDEDLO CC[N@@H+](Cc1nc(N)nc(N)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000173222091 279243081 /nfs/dbraw/zinc/24/30/81/279243081.db2.gz WLESDQMXLYGADA-JTQLQIEISA-N 1 2 297.366 1.491 20 30 CDEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000113260363 290196928 /nfs/dbraw/zinc/19/69/28/290196928.db2.gz PTLPWMWBGFXAQL-GHMZBOCLSA-N 1 2 298.383 1.951 20 30 CDEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000113260363 290196930 /nfs/dbraw/zinc/19/69/30/290196930.db2.gz PTLPWMWBGFXAQL-GHMZBOCLSA-N 1 2 298.383 1.951 20 30 CDEDLO N#Cc1cc(C(=O)NCC2CC[NH+](CC(F)F)CC2)c[nH]1 ZINC000556943844 290318040 /nfs/dbraw/zinc/31/80/40/290318040.db2.gz RPWYPDIXIYKHJP-UHFFFAOYSA-N 1 2 296.321 1.593 20 30 CDEDLO COC(=O)c1ccc(NCc2ccc(N)[nH+]c2)c(C#N)n1 ZINC000561884151 293105090 /nfs/dbraw/zinc/10/50/90/293105090.db2.gz QXAWLRRXIXVZEE-UHFFFAOYSA-N 1 2 283.291 1.160 20 30 CDEDLO C[C@@H](CC(=O)Nc1nc(C#N)c(C#N)[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000563099617 293273811 /nfs/dbraw/zinc/27/38/11/293273811.db2.gz JVOWPYFWKDEWTF-VHSXEESVSA-N 1 2 286.339 1.117 20 30 CDEDLO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000329647454 294822846 /nfs/dbraw/zinc/82/28/46/294822846.db2.gz BGWGEDHNLWTRCK-WZRBSPASSA-N 1 2 276.361 1.797 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000574234452 294969455 /nfs/dbraw/zinc/96/94/55/294969455.db2.gz XADYDLMHFZQBRU-UHFFFAOYSA-N 1 2 256.265 1.353 20 30 CDEDLO COc1ccc(C)cc1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000563220758 327979668 /nfs/dbraw/zinc/97/96/68/327979668.db2.gz USYHYBNYBUKNHE-INIZCTEOSA-N 1 2 289.379 1.506 20 30 CDEDLO Cc1scc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1C ZINC000563220956 327979877 /nfs/dbraw/zinc/97/98/77/327979877.db2.gz XVNYBDHOSXCCRA-CYBMUJFWSA-N 1 2 265.382 1.939 20 30 CDEDLO O=C1OC[C@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)CCN12 ZINC000366297877 328001003 /nfs/dbraw/zinc/00/10/03/328001003.db2.gz MYTBUQASOHUXFX-CQSZACIVSA-N 1 2 290.750 1.828 20 30 CDEDLO O=C1OC[C@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)CCN12 ZINC000366297877 328001004 /nfs/dbraw/zinc/00/10/04/328001004.db2.gz MYTBUQASOHUXFX-CQSZACIVSA-N 1 2 290.750 1.828 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@H](C)C#N)CCC2 ZINC000541021829 328039468 /nfs/dbraw/zinc/03/94/68/328039468.db2.gz ZAGATWVFZXTQIU-PWSUYJOCSA-N 1 2 275.356 1.528 20 30 CDEDLO Cc1cc(N2CCC[C@H](NC(=O)N(C)C)C2)c(C#N)c[nH+]1 ZINC000577743887 317395618 /nfs/dbraw/zinc/39/56/18/317395618.db2.gz RHCWXERUNGBFBT-ZDUSSCGKSA-N 1 2 287.367 1.502 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000563365369 328059168 /nfs/dbraw/zinc/05/91/68/328059168.db2.gz CDDNPRSZNQBUPP-GFCCVEGCSA-N 1 2 288.351 1.865 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1COc2ccccc21 ZINC000571138844 328087631 /nfs/dbraw/zinc/08/76/31/328087631.db2.gz GDWMYDPUOCYDBO-DOMZBBRYSA-N 1 2 273.336 1.123 20 30 CDEDLO N#C[C@@H]1CN(Cc2cn3cc(Cl)ccc3[nH+]2)CCO1 ZINC000264404925 328159309 /nfs/dbraw/zinc/15/93/09/328159309.db2.gz PSHSCOHHELFMAT-GFCCVEGCSA-N 1 2 276.727 1.712 20 30 CDEDLO C[C@H](CCC#N)N1CC[NH+](Cc2cccnc2)CC1 ZINC000276346340 328217631 /nfs/dbraw/zinc/21/76/31/328217631.db2.gz VFETXKRSSUPZPP-CQSZACIVSA-N 1 2 258.369 1.891 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)OCC ZINC000535125155 328388990 /nfs/dbraw/zinc/38/89/90/328388990.db2.gz LOPCYIBKAXTKFI-UONOGXRCSA-N 1 2 284.400 1.195 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCC[N@H+]1CCO[C@@H](C)C1)OCC ZINC000535125155 328388991 /nfs/dbraw/zinc/38/89/91/328388991.db2.gz LOPCYIBKAXTKFI-UONOGXRCSA-N 1 2 284.400 1.195 20 30 CDEDLO CC(=O)N1C[C@@H]2CCC[C@@H](Nc3cc(C)[nH+]cc3C#N)[C@H]2C1 ZINC000580948452 324605683 /nfs/dbraw/zinc/60/56/83/324605683.db2.gz DXOPEZJJZSPLBZ-CWRNSKLLSA-N 1 2 298.390 1.743 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1cc(F)cc(F)c1 ZINC000569376096 327169364 /nfs/dbraw/zinc/16/93/64/327169364.db2.gz NCEJSCWTTMICPR-CYBMUJFWSA-N 1 2 281.306 1.863 20 30 CDEDLO C=C(C)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000569550239 327196750 /nfs/dbraw/zinc/19/67/50/327196750.db2.gz ZFUXCQXJXYIKNE-UHFFFAOYSA-N 1 2 273.336 1.128 20 30 CDEDLO Cc1nc(CN2CC[NH+](CCCC#N)CC2)oc1C ZINC000105797114 327242418 /nfs/dbraw/zinc/24/24/18/327242418.db2.gz PIHWMZZNKVLQHM-UHFFFAOYSA-N 1 2 262.357 1.713 20 30 CDEDLO C=CCN(CCOC)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000358278774 327242837 /nfs/dbraw/zinc/24/28/37/327242837.db2.gz RRALDGTYYVZHAN-GFCCVEGCSA-N 1 2 266.345 1.116 20 30 CDEDLO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1nnc2ccccn21 ZINC000560668567 327335358 /nfs/dbraw/zinc/33/53/58/327335358.db2.gz SRKFUYPYGYVJFI-NWDGAFQWSA-N 1 2 268.324 1.823 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](CC(=O)NCCCC#N)C(F)(F)F ZINC000566449458 327370538 /nfs/dbraw/zinc/37/05/38/327370538.db2.gz WRQPIZXSMQRJNT-SECBINFHSA-N 1 2 288.273 1.876 20 30 CDEDLO CC[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000151903492 327522260 /nfs/dbraw/zinc/52/22/60/327522260.db2.gz NQDAXIXJOLHPKE-JQWIXIFHSA-N 1 2 255.387 1.232 20 30 CDEDLO CC[C@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000171004991 329069068 /nfs/dbraw/zinc/06/90/68/329069068.db2.gz NKAXHDMQTNEGSC-LLVKDONJSA-N 1 2 299.290 1.812 20 30 CDEDLO C=C(C)C[N@H+](C)CCS(=O)(=O)c1ccccc1 ZINC000181248424 329227748 /nfs/dbraw/zinc/22/77/48/329227748.db2.gz WAWNGACUVDFCIK-UHFFFAOYSA-N 1 2 253.367 1.968 20 30 CDEDLO C=C(C)C[N@@H+](C)CCS(=O)(=O)c1ccccc1 ZINC000181248424 329227750 /nfs/dbraw/zinc/22/77/50/329227750.db2.gz WAWNGACUVDFCIK-UHFFFAOYSA-N 1 2 253.367 1.968 20 30 CDEDLO Cc1nn(C(C)C)cc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000582973225 329297122 /nfs/dbraw/zinc/29/71/22/329297122.db2.gz SDZDHUMAEIZRED-AWEZNQCLSA-N 1 2 277.372 1.346 20 30 CDEDLO C=CCN(CCOC)c1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000189635555 329384745 /nfs/dbraw/zinc/38/47/45/329384745.db2.gz UNKPWWAPAUJPCF-UHFFFAOYSA-N 1 2 279.388 1.700 20 30 CDEDLO COc1cc(Cl)ccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000421816127 330085825 /nfs/dbraw/zinc/08/58/25/330085825.db2.gz WRMDOLJLTSVFIE-LBPRGKRZSA-N 1 2 298.770 1.934 20 30 CDEDLO COc1cc(Cl)ccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000421816127 330085826 /nfs/dbraw/zinc/08/58/26/330085826.db2.gz WRMDOLJLTSVFIE-LBPRGKRZSA-N 1 2 298.770 1.934 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422219462 330133052 /nfs/dbraw/zinc/13/30/52/330133052.db2.gz ZKPPWGNBTQLFQK-CYBMUJFWSA-N 1 2 277.368 1.682 20 30 CDEDLO N#CC1(NC(=O)C[N@H+](Cc2cccnc2)C2CC2)CCC1 ZINC000527127956 330224991 /nfs/dbraw/zinc/22/49/91/330224991.db2.gz HBRQXRAKYRZZCP-UHFFFAOYSA-N 1 2 284.363 1.608 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+](Cc2cccnc2)C2CC2)CCC1 ZINC000527127956 330224992 /nfs/dbraw/zinc/22/49/92/330224992.db2.gz HBRQXRAKYRZZCP-UHFFFAOYSA-N 1 2 284.363 1.608 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cnn(CC(F)F)c2)nn1 ZINC000424176255 330316421 /nfs/dbraw/zinc/31/64/21/330316421.db2.gz XAYIGQVSLVQKPT-UHFFFAOYSA-N 1 2 282.298 1.216 20 30 CDEDLO C[C@@H](C(=O)Nc1cc(CC#N)ccn1)[NH+]1CCSCC1 ZINC000533089928 330333824 /nfs/dbraw/zinc/33/38/24/330333824.db2.gz XMCAPEMPUSMDOX-NSHDSACASA-N 1 2 290.392 1.523 20 30 CDEDLO C=CCOC[C@H]([NH2+]CCc1cccc(C)c1)C(=O)OC ZINC000449303639 330913400 /nfs/dbraw/zinc/91/34/00/330913400.db2.gz YVQMQPKFLGWCER-HNNXBMFYSA-N 1 2 277.364 1.871 20 30 CDEDLO Cc1cc[nH+]cc1N1CCN(C(=O)[C@@]2(C#N)C[C@@H]2C)CC1 ZINC000451423430 331028818 /nfs/dbraw/zinc/02/88/18/331028818.db2.gz CREVHYXZLRGZOT-XJKSGUPXSA-N 1 2 284.363 1.588 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000456770533 331202263 /nfs/dbraw/zinc/20/22/63/331202263.db2.gz SCGWOEANORVERV-ZDUSSCGKSA-N 1 2 287.363 1.939 20 30 CDEDLO C=C(CC)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000456809132 331204527 /nfs/dbraw/zinc/20/45/27/331204527.db2.gz ANYPJGVQZNXOFO-CQSZACIVSA-N 1 2 266.385 1.712 20 30 CDEDLO C=C(CC)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000456809132 331204528 /nfs/dbraw/zinc/20/45/28/331204528.db2.gz ANYPJGVQZNXOFO-CQSZACIVSA-N 1 2 266.385 1.712 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459782972 331300691 /nfs/dbraw/zinc/30/06/91/331300691.db2.gz HTEHUKQRIASZOC-HUBLWGQQSA-N 1 2 291.399 1.514 20 30 CDEDLO C#CCN(CC#CC)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000490873339 332123222 /nfs/dbraw/zinc/12/32/22/332123222.db2.gz INCJRKXBDDYTIL-HNNXBMFYSA-N 1 2 296.374 1.328 20 30 CDEDLO C#CCN(C(=O)[C@@H](C)[NH+]1CCN(C)CC1)C1CCCCC1 ZINC000490936128 332130843 /nfs/dbraw/zinc/13/08/43/332130843.db2.gz PNCVZAPZOBEUOW-OAHLLOKOSA-N 1 2 291.439 1.417 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CC)n2CC(=C)C)CC1 ZINC000491155422 332158297 /nfs/dbraw/zinc/15/82/97/332158297.db2.gz QXYIVPPQNXXLAP-UHFFFAOYSA-N 1 2 273.384 1.172 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000491264280 332176391 /nfs/dbraw/zinc/17/63/91/332176391.db2.gz FQHCIRCWFKYNEI-KGLIPLIRSA-N 1 2 286.350 1.960 20 30 CDEDLO C#C[C@@H](C)N(C)c1cc(N2CCSCC2)[nH+]cn1 ZINC000491361489 332197054 /nfs/dbraw/zinc/19/70/54/332197054.db2.gz LLTWJZZWTDISFO-LLVKDONJSA-N 1 2 262.382 1.488 20 30 CDEDLO C#C[C@@H](C)N(C)c1cc(N2CCSCC2)nc[nH+]1 ZINC000491361489 332197055 /nfs/dbraw/zinc/19/70/55/332197055.db2.gz LLTWJZZWTDISFO-LLVKDONJSA-N 1 2 262.382 1.488 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCCCC(=O)OC(C)(C)C ZINC000491515923 332227403 /nfs/dbraw/zinc/22/74/03/332227403.db2.gz QDIXZKMBZPQDGJ-CYBMUJFWSA-N 1 2 267.369 1.832 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCCCC(=O)OC(C)(C)C ZINC000491515923 332227404 /nfs/dbraw/zinc/22/74/04/332227404.db2.gz QDIXZKMBZPQDGJ-CYBMUJFWSA-N 1 2 267.369 1.832 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@@](C)(C2CCCC2)C1=O ZINC000491566926 332239149 /nfs/dbraw/zinc/23/91/49/332239149.db2.gz IVUVJJHQAIKOGE-ABAIWWIYSA-N 1 2 277.368 1.398 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@@](C)(C2CCCC2)C1=O ZINC000491566926 332239150 /nfs/dbraw/zinc/23/91/50/332239150.db2.gz IVUVJJHQAIKOGE-ABAIWWIYSA-N 1 2 277.368 1.398 20 30 CDEDLO C#C[C@H](NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C(C)(C)C ZINC000491713362 332304344 /nfs/dbraw/zinc/30/43/44/332304344.db2.gz JPALXPCRWUPXDK-MFKMUULPSA-N 1 2 274.368 1.614 20 30 CDEDLO C#C[C@H](NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C(C)(C)C ZINC000491713362 332304345 /nfs/dbraw/zinc/30/43/45/332304345.db2.gz JPALXPCRWUPXDK-MFKMUULPSA-N 1 2 274.368 1.614 20 30 CDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H]1CCCN(C)C1=O ZINC000491764274 332332936 /nfs/dbraw/zinc/33/29/36/332332936.db2.gz CGPSPFUMUUMWLZ-OAHLLOKOSA-N 1 2 274.339 1.882 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCCN(C)C1=O ZINC000491764274 332332937 /nfs/dbraw/zinc/33/29/37/332332937.db2.gz CGPSPFUMUUMWLZ-OAHLLOKOSA-N 1 2 274.339 1.882 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000491810215 332362868 /nfs/dbraw/zinc/36/28/68/332362868.db2.gz ZNZFOUPWMANKOI-GFCCVEGCSA-N 1 2 255.321 1.665 20 30 CDEDLO C=C(C)COCCNC(=O)/C=C/c1[nH+]ccn1CC ZINC000492407512 332395972 /nfs/dbraw/zinc/39/59/72/332395972.db2.gz KLJULBZVVMEUKA-AATRIKPKSA-N 1 2 263.341 1.625 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1cccnc1 ZINC000493158431 332428666 /nfs/dbraw/zinc/42/86/66/332428666.db2.gz OZNXNGDYMHPJIL-AFNCTOJWSA-N 1 2 258.325 1.055 20 30 CDEDLO Cc1ccncc1/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000493533264 332443892 /nfs/dbraw/zinc/44/38/92/332443892.db2.gz WEMAZOWBNYNLHG-IYKSTZQJSA-N 1 2 272.352 1.363 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1c(F)cccc1F ZINC000493818433 332455298 /nfs/dbraw/zinc/45/52/98/332455298.db2.gz IWDIYCAUEIYVDX-LZNQSLFOSA-N 1 2 293.317 1.938 20 30 CDEDLO CC#CCCCC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000186127228 333155559 /nfs/dbraw/zinc/15/55/59/333155559.db2.gz ATJUSBHYOKEFSM-UHFFFAOYSA-N 1 2 292.383 1.676 20 30 CDEDLO CO[C@@H](Cc1ccccc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000521882346 333195634 /nfs/dbraw/zinc/19/56/34/333195634.db2.gz FOWCXSCABKMPLV-HOCLYGCPSA-N 1 2 289.379 1.204 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)OCC1CC1 ZINC000192874798 333239942 /nfs/dbraw/zinc/23/99/42/333239942.db2.gz WVUKVKWKVXSFLL-UHFFFAOYSA-N 1 2 281.356 1.081 20 30 CDEDLO CCNC(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000124740900 333561060 /nfs/dbraw/zinc/56/10/60/333561060.db2.gz LYJHZRMNWMOAQX-HNNXBMFYSA-N 1 2 286.379 1.005 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(C)cc2C)CC1 ZINC000128398118 333667081 /nfs/dbraw/zinc/66/70/81/333667081.db2.gz LNBMIQRZDMLIPR-UHFFFAOYSA-N 1 2 286.375 1.460 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000548096812 334139650 /nfs/dbraw/zinc/13/96/50/334139650.db2.gz ZLVRWWGNUIJFIO-YRGRVCCFSA-N 1 2 291.395 1.437 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000548096812 334139651 /nfs/dbraw/zinc/13/96/51/334139651.db2.gz ZLVRWWGNUIJFIO-YRGRVCCFSA-N 1 2 291.395 1.437 20 30 CDEDLO CN(Cc1cnn(C)c1)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081514791 334193775 /nfs/dbraw/zinc/19/37/75/334193775.db2.gz SPKACYQPNWXYNW-UHFFFAOYSA-N 1 2 289.383 1.004 20 30 CDEDLO CN(Cc1cnn(C)c1)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081514791 334193776 /nfs/dbraw/zinc/19/37/76/334193776.db2.gz SPKACYQPNWXYNW-UHFFFAOYSA-N 1 2 289.383 1.004 20 30 CDEDLO CC(=O)c1cc(C(=O)NC2(C#N)CC[NH+](C)CC2)cs1 ZINC000550808870 334229215 /nfs/dbraw/zinc/22/92/15/334229215.db2.gz OGPKRNBPJIESQL-UHFFFAOYSA-N 1 2 291.376 1.668 20 30 CDEDLO O=C(NCC#Cc1cccc(F)c1)N1CCn2cc[nH+]c2C1 ZINC000555212207 334471189 /nfs/dbraw/zinc/47/11/89/334471189.db2.gz VFOJBLGMDSMFJQ-UHFFFAOYSA-N 1 2 298.321 1.599 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000555482535 334479632 /nfs/dbraw/zinc/47/96/32/334479632.db2.gz BIJVQORGGPPNMT-ZDUSSCGKSA-N 1 2 276.296 1.168 20 30 CDEDLO CC(C)Oc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccn1 ZINC000566309935 334642091 /nfs/dbraw/zinc/64/20/91/334642091.db2.gz YCMJVJOGDPYJQY-OAHLLOKOSA-N 1 2 290.367 1.442 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCCOc1ccc(F)cc1 ZINC000566429579 334648463 /nfs/dbraw/zinc/64/84/63/334648463.db2.gz WOXSSQQNZJLBAX-ZDUSSCGKSA-N 1 2 293.342 1.603 20 30 CDEDLO C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1cccc(F)c1 ZINC000579599007 335818150 /nfs/dbraw/zinc/81/81/50/335818150.db2.gz DLORLVCDECDASF-IAQYHMDHSA-N 1 2 277.343 1.889 20 30 CDEDLO COCC#CC[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000677820489 482301898 /nfs/dbraw/zinc/30/18/98/482301898.db2.gz PFVYGVLLJPQJAC-INIZCTEOSA-N 1 2 259.349 1.884 20 30 CDEDLO CC(C)(C#N)CC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000353076766 1160561630 /nfs/dbraw/zinc/56/16/30/1160561630.db2.gz JPBFGPIDWGNIEC-UHFFFAOYSA-N 1 2 267.373 1.153 20 30 CDEDLO CC(C)(C#N)CC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000353076766 1160561634 /nfs/dbraw/zinc/56/16/34/1160561634.db2.gz JPBFGPIDWGNIEC-UHFFFAOYSA-N 1 2 267.373 1.153 20 30 CDEDLO COCC#CC[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000677820489 482301891 /nfs/dbraw/zinc/30/18/91/482301891.db2.gz PFVYGVLLJPQJAC-INIZCTEOSA-N 1 2 259.349 1.884 20 30 CDEDLO C=C[C@](C)(O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000665844131 482801706 /nfs/dbraw/zinc/80/17/06/482801706.db2.gz HYQARRQPVMBXGR-HNNXBMFYSA-N 1 2 275.352 1.235 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCC(C)(C)CCC#N ZINC000350519186 534061837 /nfs/dbraw/zinc/06/18/37/534061837.db2.gz OSCZSLBGCMZDPO-CYBMUJFWSA-N 1 2 296.415 1.336 20 30 CDEDLO C=CC(C)(C)C(=O)N(C)CC[NH2+][C@@H](C)c1nc(C)no1 ZINC001753221145 1185121515 /nfs/dbraw/zinc/12/15/15/1185121515.db2.gz SUMKNKORFPHSPX-JTQLQIEISA-N 1 2 280.372 1.699 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC2(C1)CCOCC2 ZINC000330192918 534271775 /nfs/dbraw/zinc/27/17/75/534271775.db2.gz OAELJHDBFAGLRC-LBPRGKRZSA-N 1 2 278.356 1.298 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CC2(C1)CCOCC2 ZINC000330192918 534271779 /nfs/dbraw/zinc/27/17/79/534271779.db2.gz OAELJHDBFAGLRC-LBPRGKRZSA-N 1 2 278.356 1.298 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)CCOC)CC1 ZINC001755878643 1186097434 /nfs/dbraw/zinc/09/74/34/1186097434.db2.gz QAGKVTWPVVHQQI-UHFFFAOYSA-N 1 2 272.776 1.524 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)CCOC)CC1 ZINC001755878643 1186097441 /nfs/dbraw/zinc/09/74/41/1186097441.db2.gz QAGKVTWPVVHQQI-UHFFFAOYSA-N 1 2 272.776 1.524 20 30 CDEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC000329228628 534385964 /nfs/dbraw/zinc/38/59/64/534385964.db2.gz BWSCQSDOMXGCCC-GFCCVEGCSA-N 1 2 288.351 1.551 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000069069474 518904108 /nfs/dbraw/zinc/90/41/08/518904108.db2.gz BHDBGKQZWNWFTB-JTQLQIEISA-N 1 2 265.313 1.284 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000069069474 518904116 /nfs/dbraw/zinc/90/41/16/518904116.db2.gz BHDBGKQZWNWFTB-JTQLQIEISA-N 1 2 265.313 1.284 20 30 CDEDLO Cc1ccc2nc(C[NH2+][C@@H]3CCC[C@@H]3C#N)cc(=O)n2c1 ZINC000332132007 534503902 /nfs/dbraw/zinc/50/39/02/534503902.db2.gz HFORINHEQFURLK-TZMCWYRMSA-N 1 2 282.347 1.785 20 30 CDEDLO Cc1[nH]c(C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)c[nH+]1 ZINC000329106419 534724497 /nfs/dbraw/zinc/72/44/97/534724497.db2.gz HLKCCLDAINWJDV-MFKMUULPSA-N 1 2 265.313 1.361 20 30 CDEDLO Cc1ncc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c(C)n1 ZINC000330335670 534724751 /nfs/dbraw/zinc/72/47/51/534724751.db2.gz ZDCQSVCRAWSXFZ-NSHDSACASA-N 1 2 271.324 1.610 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc(Cl)c(C#N)n1 ZINC000067367954 524630696 /nfs/dbraw/zinc/63/06/96/524630696.db2.gz JVGFZGYPRNAKRV-JTQLQIEISA-N 1 2 280.759 1.739 20 30 CDEDLO C=CC[N@H+](Cc1nc(=O)n(C)[nH]1)Cc1ccc(OC)cc1 ZINC000353476520 526381500 /nfs/dbraw/zinc/38/15/00/526381500.db2.gz HOMZVRDSVGBJIY-UHFFFAOYSA-N 1 2 288.351 1.305 20 30 CDEDLO C=CC[N@@H+](Cc1nc(=O)n(C)[nH]1)Cc1ccc(OC)cc1 ZINC000353476520 526381506 /nfs/dbraw/zinc/38/15/06/526381506.db2.gz HOMZVRDSVGBJIY-UHFFFAOYSA-N 1 2 288.351 1.305 20 30 CDEDLO CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330246287 526405173 /nfs/dbraw/zinc/40/51/73/526405173.db2.gz FAZMDLZNDWYPCB-MNOVXSKESA-N 1 2 291.355 1.163 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](CCOC)Cc2ccccn2)C1=O ZINC000347263890 526474957 /nfs/dbraw/zinc/47/49/57/526474957.db2.gz VVQSUTZMQVKUTL-OAHLLOKOSA-N 1 2 289.379 1.317 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](CCOC)Cc2ccccn2)C1=O ZINC000347263890 526474960 /nfs/dbraw/zinc/47/49/60/526474960.db2.gz VVQSUTZMQVKUTL-OAHLLOKOSA-N 1 2 289.379 1.317 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000352310631 526674872 /nfs/dbraw/zinc/67/48/72/526674872.db2.gz MAIZMJCSHXTJSX-UHFFFAOYSA-N 1 2 294.420 1.709 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000352310631 526674881 /nfs/dbraw/zinc/67/48/81/526674881.db2.gz MAIZMJCSHXTJSX-UHFFFAOYSA-N 1 2 294.420 1.709 20 30 CDEDLO C=C[C@@H](C)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000355041580 527410675 /nfs/dbraw/zinc/41/06/75/527410675.db2.gz RFBPPXXUZHRGSX-DGCLKSJQSA-N 1 2 292.383 1.174 20 30 CDEDLO C=C[C@@H](C)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000355041580 527410682 /nfs/dbraw/zinc/41/06/82/527410682.db2.gz RFBPPXXUZHRGSX-DGCLKSJQSA-N 1 2 292.383 1.174 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000347351763 528623848 /nfs/dbraw/zinc/62/38/48/528623848.db2.gz NHFQJCJEDKIOPE-AAEUAGOBSA-N 1 2 255.337 1.428 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@](C)(F)C1 ZINC000347351763 528623853 /nfs/dbraw/zinc/62/38/53/528623853.db2.gz NHFQJCJEDKIOPE-AAEUAGOBSA-N 1 2 255.337 1.428 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000331431230 528850617 /nfs/dbraw/zinc/85/06/17/528850617.db2.gz GLODJHFOOJGXCA-IVMMDQJWSA-N 1 2 293.411 1.540 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000331431230 528850621 /nfs/dbraw/zinc/85/06/21/528850621.db2.gz GLODJHFOOJGXCA-IVMMDQJWSA-N 1 2 293.411 1.540 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2cc(C#N)cs2)CCO1 ZINC000093529467 536785716 /nfs/dbraw/zinc/78/57/16/536785716.db2.gz GORNZXSOIIMAKI-NSHDSACASA-N 1 2 252.339 1.467 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)CCO1 ZINC000093529467 536785720 /nfs/dbraw/zinc/78/57/20/536785720.db2.gz GORNZXSOIIMAKI-NSHDSACASA-N 1 2 252.339 1.467 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(F)cc1C#N ZINC000335860951 538437988 /nfs/dbraw/zinc/43/79/88/538437988.db2.gz RWXPARAOCHVRHX-UHFFFAOYSA-N 1 2 273.271 1.753 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc(CC)cs1 ZINC000730285711 574910621 /nfs/dbraw/zinc/91/06/21/574910621.db2.gz FUPDPTQSSIBJKN-NSHDSACASA-N 1 2 263.366 1.742 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc(CC)cs1 ZINC000730285711 574910623 /nfs/dbraw/zinc/91/06/23/574910623.db2.gz FUPDPTQSSIBJKN-NSHDSACASA-N 1 2 263.366 1.742 20 30 CDEDLO O=C1CCCN1N=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000769589608 575362377 /nfs/dbraw/zinc/36/23/77/575362377.db2.gz NLZPFNDFWNGHQM-UHFFFAOYSA-N 1 2 254.293 1.829 20 30 CDEDLO NC(=[NH+]OCC1CCOCC1)c1ccc(F)cc1 ZINC000735488148 575472809 /nfs/dbraw/zinc/47/28/09/575472809.db2.gz GJEMCEHUVUOZPS-UHFFFAOYSA-N 1 2 252.289 1.889 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)NC2(CCC(CC)CC2)C1=O ZINC000766666027 576119934 /nfs/dbraw/zinc/11/99/34/576119934.db2.gz OPBGCGUYIBIEAJ-FUJMWEONSA-N 1 2 291.395 1.788 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)NC2(CCC(CC)CC2)C1=O ZINC000766666027 576119937 /nfs/dbraw/zinc/11/99/37/576119937.db2.gz OPBGCGUYIBIEAJ-FUJMWEONSA-N 1 2 291.395 1.788 20 30 CDEDLO COc1cc(C#N)ccc1CO[NH+]=C(N)COC(C)C ZINC000766741104 576131317 /nfs/dbraw/zinc/13/13/17/576131317.db2.gz CRPPRDWKASWXKD-UHFFFAOYSA-N 1 2 277.324 1.990 20 30 CDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000761059589 576539918 /nfs/dbraw/zinc/53/99/18/576539918.db2.gz XMSANUAHYIZNNU-NEPJUHHUSA-N 1 2 297.280 1.969 20 30 CDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000761059589 576539920 /nfs/dbraw/zinc/53/99/20/576539920.db2.gz XMSANUAHYIZNNU-NEPJUHHUSA-N 1 2 297.280 1.969 20 30 CDEDLO C(=NNc1ccc(-n2cc[nH+]c2)nn1)c1cscn1 ZINC000761856592 576598081 /nfs/dbraw/zinc/59/80/81/576598081.db2.gz BGGXRIDGIHAFRP-UHFFFAOYSA-N 1 2 271.309 1.565 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Cc2ccc(OC)c(F)c2)CC1 ZINC000744422252 576680049 /nfs/dbraw/zinc/68/00/49/576680049.db2.gz HKLAFXZQJYMHKP-UHFFFAOYSA-N 1 2 290.338 1.154 20 30 CDEDLO CC(Cc1ccncc1)N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753934971 576866860 /nfs/dbraw/zinc/86/68/60/576866860.db2.gz LPEBINPZXOWDHH-ZIAGYGMSSA-N 1 2 271.368 1.860 20 30 CDEDLO CO[C@H](C)C(N)=[NH+]OCCOc1ccc(C#N)cc1 ZINC000747867876 576887822 /nfs/dbraw/zinc/88/78/22/576887822.db2.gz NYDVIUWNXJKPPM-SNVBAGLBSA-N 1 2 263.297 1.470 20 30 CDEDLO C=CCCCC(=O)N1CCN(Cc2[nH+]ccn2CC)CC1 ZINC000748314908 576904775 /nfs/dbraw/zinc/90/47/75/576904775.db2.gz RBFQRRQTDMPODX-UHFFFAOYSA-N 1 2 290.411 1.904 20 30 CDEDLO N#CCCNC(=O)C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000748832551 576928374 /nfs/dbraw/zinc/92/83/74/576928374.db2.gz JIALPRMHFSVLJB-CYBMUJFWSA-N 1 2 261.300 1.602 20 30 CDEDLO N#CCCNC(=O)C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000748832551 576928375 /nfs/dbraw/zinc/92/83/75/576928375.db2.gz JIALPRMHFSVLJB-CYBMUJFWSA-N 1 2 261.300 1.602 20 30 CDEDLO Cn1c[nH+]cc1CN=Nc1cnc2ccccc2n1 ZINC000755683075 576955253 /nfs/dbraw/zinc/95/52/53/576955253.db2.gz NKKMUQIPLYGTCL-UHFFFAOYSA-N 1 2 252.281 1.809 20 30 CDEDLO CCCNC(=O)[C@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000749778786 576962182 /nfs/dbraw/zinc/96/21/82/576962182.db2.gz MPHOROMMJZWXEE-VIFPVBQESA-N 1 2 267.304 1.377 20 30 CDEDLO C=CCn1nnn(C[NH+]2C[C@H](C)[C@@H](C)C2)c1=S ZINC000751929642 577075149 /nfs/dbraw/zinc/07/51/49/577075149.db2.gz QTLSPKPEFJTFDC-UWVGGRQHSA-N 1 2 253.375 1.540 20 30 CDEDLO C[C@@]1(c2ccccn2)CC(=O)N(C[NH+]2CCC(C#N)CC2)C1 ZINC000758202600 577081381 /nfs/dbraw/zinc/08/13/81/577081381.db2.gz IOWOSRRNBXYFEU-QGZVFWFLSA-N 1 2 298.390 1.765 20 30 CDEDLO C=CC[C@@H]1CCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000890550613 617203852 /nfs/dbraw/zinc/20/38/52/617203852.db2.gz ZEOZUNMMWYFZDB-CYBMUJFWSA-N 1 2 259.353 1.939 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[NH+](CC(=C)C)CC2)nc1 ZINC000957378910 613170043 /nfs/dbraw/zinc/17/00/43/613170043.db2.gz OENNJRFCQGUSRW-UHFFFAOYSA-N 1 2 269.348 1.397 20 30 CDEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ncc[nH]1 ZINC000948913221 613279898 /nfs/dbraw/zinc/27/98/98/613279898.db2.gz QDIKWPSWCUYMOR-HNNXBMFYSA-N 1 2 294.358 1.372 20 30 CDEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ncc[nH]1 ZINC000948913221 613279900 /nfs/dbraw/zinc/27/99/00/613279900.db2.gz QDIKWPSWCUYMOR-HNNXBMFYSA-N 1 2 294.358 1.372 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)s2)C(C)(C)C1 ZINC000977637057 613283503 /nfs/dbraw/zinc/28/35/03/613283503.db2.gz BNQUKPZFYRXFIL-LLVKDONJSA-N 1 2 280.368 1.961 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(F)s2)C(C)(C)C1 ZINC000977637057 613283505 /nfs/dbraw/zinc/28/35/05/613283505.db2.gz BNQUKPZFYRXFIL-LLVKDONJSA-N 1 2 280.368 1.961 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2nc(C)c[nH]2)C1 ZINC000952432031 613297266 /nfs/dbraw/zinc/29/72/66/613297266.db2.gz HAZVSHSUGVVOFX-UHFFFAOYSA-N 1 2 262.357 1.441 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2c(C)n[nH]c2C)CC1 ZINC000951787433 613319867 /nfs/dbraw/zinc/31/98/67/613319867.db2.gz UHFSMSCALKDXNA-UHFFFAOYSA-N 1 2 262.357 1.360 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccn3cc(C)nc3c2)CC1 ZINC000950495774 613321389 /nfs/dbraw/zinc/32/13/89/613321389.db2.gz STZWWURPPYFLOW-UHFFFAOYSA-N 1 2 298.390 1.977 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cn(CC)nc2C)CC1 ZINC000950967615 613321499 /nfs/dbraw/zinc/32/14/99/613321499.db2.gz ROCGZIXOVLVFTE-UHFFFAOYSA-N 1 2 276.384 1.545 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnc(C)n2C)CC1 ZINC000949859502 613321527 /nfs/dbraw/zinc/32/15/27/613321527.db2.gz SIHNFTOYAAYFJQ-UHFFFAOYSA-N 1 2 262.357 1.062 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnc3cccnn23)CC1 ZINC000951385041 613321816 /nfs/dbraw/zinc/32/18/16/613321816.db2.gz OBDHFVBNFNDXEP-UHFFFAOYSA-N 1 2 285.351 1.063 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cncnc2CC)CC1 ZINC000957678248 613321959 /nfs/dbraw/zinc/32/19/59/613321959.db2.gz MFRBSHVERGZRET-UHFFFAOYSA-N 1 2 274.368 1.373 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cn[nH]c2)C1 ZINC000969342886 613371683 /nfs/dbraw/zinc/37/16/83/613371683.db2.gz RQGSWAYDNSNCCX-SECBINFHSA-N 1 2 268.748 1.212 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000969525480 613371716 /nfs/dbraw/zinc/37/17/16/613371716.db2.gz CCTNENCGMZJAMF-SNVBAGLBSA-N 1 2 292.770 1.689 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cncn2C)C1 ZINC000970070531 613372678 /nfs/dbraw/zinc/37/26/78/613372678.db2.gz IBWLWGPXGPIDQL-JTQLQIEISA-N 1 2 282.775 1.223 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C2=COCCC2)CC1 ZINC000980818702 613373152 /nfs/dbraw/zinc/37/31/52/613373152.db2.gz JKZJCXIFTADDEU-UHFFFAOYSA-N 1 2 284.787 1.968 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C2=COCCC2)CC1 ZINC000980818702 613373153 /nfs/dbraw/zinc/37/31/53/613373153.db2.gz JKZJCXIFTADDEU-UHFFFAOYSA-N 1 2 284.787 1.968 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C2=CCOCC2)C1 ZINC000965936485 613375719 /nfs/dbraw/zinc/37/57/19/613375719.db2.gz QTEGKZLILCLRJW-BXUZGUMPSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2=CCOCC2)C1 ZINC000965936485 613375720 /nfs/dbraw/zinc/37/57/20/613375720.db2.gz QTEGKZLILCLRJW-BXUZGUMPSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ncn(C)n2)C(C)(C)C1 ZINC000974561427 613380090 /nfs/dbraw/zinc/38/00/90/613380090.db2.gz OHUVSWUVNOEDCE-SNVBAGLBSA-N 1 2 297.790 1.008 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ncn(C)n2)C(C)(C)C1 ZINC000974561427 613380091 /nfs/dbraw/zinc/38/00/91/613380091.db2.gz OHUVSWUVNOEDCE-SNVBAGLBSA-N 1 2 297.790 1.008 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ncn(C)n2)C(C)(C)C1 ZINC000974561425 613381236 /nfs/dbraw/zinc/38/12/36/613381236.db2.gz OHUVSWUVNOEDCE-JTQLQIEISA-N 1 2 297.790 1.008 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ncn(C)n2)C(C)(C)C1 ZINC000974561425 613381237 /nfs/dbraw/zinc/38/12/37/613381237.db2.gz OHUVSWUVNOEDCE-JTQLQIEISA-N 1 2 297.790 1.008 20 30 CDEDLO O=C(CCCn1cc[nH+]c1)NCC#C[C@H]1CCCCO1 ZINC000891125779 617368221 /nfs/dbraw/zinc/36/82/21/617368221.db2.gz DDEKRGZJTANENV-CQSZACIVSA-N 1 2 275.352 1.352 20 30 CDEDLO C[C@H](CC(=O)NCC#C[C@H]1CCCCO1)n1cc[nH+]c1 ZINC000891112583 617365119 /nfs/dbraw/zinc/36/51/19/617365119.db2.gz MCANEIOWTIGKOF-ZIAGYGMSSA-N 1 2 275.352 1.523 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cccc3ncn(C)c32)C1 ZINC000950658890 613658073 /nfs/dbraw/zinc/65/80/73/613658073.db2.gz YAVIKKLEVSECAK-UHFFFAOYSA-N 1 2 298.390 1.906 20 30 CDEDLO C=CCN1CCCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000981555889 613698458 /nfs/dbraw/zinc/69/84/58/613698458.db2.gz CCHNCIZEBVLSRH-UHFFFAOYSA-N 1 2 284.363 1.668 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)C2CCOCC2)CC1 ZINC000949201741 613706916 /nfs/dbraw/zinc/70/69/16/613706916.db2.gz UBJFJGGWHSZYAS-UHFFFAOYSA-N 1 2 280.412 1.769 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2c(C)noc2Cl)CC1 ZINC000957867974 613707641 /nfs/dbraw/zinc/70/76/41/613707641.db2.gz UAFPAKANKYYYJK-UHFFFAOYSA-N 1 2 297.786 1.899 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](OC)C2CCC2)CC1 ZINC000949515742 613710475 /nfs/dbraw/zinc/71/04/75/613710475.db2.gz GPWLCBAPTYGYIF-ZDUSSCGKSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)c2c(C)noc2C)CC1 ZINC000951738867 613712230 /nfs/dbraw/zinc/71/22/30/613712230.db2.gz BYBHOULWLZVUQB-LLVKDONJSA-N 1 2 277.368 1.725 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc(-c3ncon3)c2)CC1 ZINC000950457774 613716916 /nfs/dbraw/zinc/71/69/16/613716916.db2.gz SMVHFKPOVGPSES-UHFFFAOYSA-N 1 2 298.346 1.680 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCO3)C2)C1 ZINC000972345824 613724139 /nfs/dbraw/zinc/72/41/39/613724139.db2.gz IXCXZVWAPAPHAH-ZBFHGGJFSA-N 1 2 294.395 1.045 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCO3)C2)C1 ZINC000972345824 613724140 /nfs/dbraw/zinc/72/41/40/613724140.db2.gz IXCXZVWAPAPHAH-ZBFHGGJFSA-N 1 2 294.395 1.045 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3oncc3C)C2)C1 ZINC000972616671 613727367 /nfs/dbraw/zinc/72/73/67/613727367.db2.gz DGHCNSHNDLGTAU-OAHLLOKOSA-N 1 2 291.351 1.086 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3oncc3C)C2)C1 ZINC000972616671 613727368 /nfs/dbraw/zinc/72/73/68/613727368.db2.gz DGHCNSHNDLGTAU-OAHLLOKOSA-N 1 2 291.351 1.086 20 30 CDEDLO CC(C)c1noc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC000967945004 614340487 /nfs/dbraw/zinc/34/04/87/614340487.db2.gz UNAQWBFLOGUULD-GHMZBOCLSA-N 1 2 291.355 1.043 20 30 CDEDLO Cn1nccc1[C@@H]1C[N@H+](CCC(C)(C)C#N)CCO1 ZINC000933545433 617494793 /nfs/dbraw/zinc/49/47/93/617494793.db2.gz WUHOJYKTTSFXBW-ZDUSSCGKSA-N 1 2 262.357 1.733 20 30 CDEDLO Cn1nccc1[C@@H]1C[N@@H+](CCC(C)(C)C#N)CCO1 ZINC000933545433 617494795 /nfs/dbraw/zinc/49/47/95/617494795.db2.gz WUHOJYKTTSFXBW-ZDUSSCGKSA-N 1 2 262.357 1.733 20 30 CDEDLO CCc1nocc1C[N@@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC000980848511 615864533 /nfs/dbraw/zinc/86/45/33/615864533.db2.gz ZGXVRWAIQDBYJR-GFCCVEGCSA-N 1 2 290.367 1.431 20 30 CDEDLO CCc1nocc1C[N@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC000980848511 615864537 /nfs/dbraw/zinc/86/45/37/615864537.db2.gz ZGXVRWAIQDBYJR-GFCCVEGCSA-N 1 2 290.367 1.431 20 30 CDEDLO C[N@H+](Cc1ccon1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971363710 616089374 /nfs/dbraw/zinc/08/93/74/616089374.db2.gz CVVVVLDZJLRUCP-ZDUSSCGKSA-N 1 2 299.334 1.221 20 30 CDEDLO C[N@@H+](Cc1ccon1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971363710 616089375 /nfs/dbraw/zinc/08/93/75/616089375.db2.gz CVVVVLDZJLRUCP-ZDUSSCGKSA-N 1 2 299.334 1.221 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)cs1 ZINC000893562563 618125535 /nfs/dbraw/zinc/12/55/35/618125535.db2.gz SXMQPGRFAWKZBU-LBPRGKRZSA-N 1 2 263.366 1.136 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCN3CCOC[C@@H]3C2)cs1 ZINC000893562563 618125544 /nfs/dbraw/zinc/12/55/44/618125544.db2.gz SXMQPGRFAWKZBU-LBPRGKRZSA-N 1 2 263.366 1.136 20 30 CDEDLO COC(=O)[C@H]1[C@@H](C[N@H+](CCC#N)C(C)C)C1(F)F ZINC000893958958 618223809 /nfs/dbraw/zinc/22/38/09/618223809.db2.gz GLYWEXANBBDPAD-NXEZZACHSA-N 1 2 260.284 1.665 20 30 CDEDLO COC(=O)[C@H]1[C@@H](C[N@@H+](CCC#N)C(C)C)C1(F)F ZINC000893958958 618223814 /nfs/dbraw/zinc/22/38/14/618223814.db2.gz GLYWEXANBBDPAD-NXEZZACHSA-N 1 2 260.284 1.665 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(=O)OC ZINC000894192248 618678368 /nfs/dbraw/zinc/67/83/68/618678368.db2.gz IZZATGOIYBSZSE-BBZRCZKMSA-N 1 2 295.379 1.134 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2csc(C#N)c2)C1=O ZINC000894231716 618740275 /nfs/dbraw/zinc/74/02/75/618740275.db2.gz RZRFDVBCJBMLBZ-CYBMUJFWSA-N 1 2 275.377 1.838 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2csc(C#N)c2)C1=O ZINC000894231716 618740277 /nfs/dbraw/zinc/74/02/77/618740277.db2.gz RZRFDVBCJBMLBZ-CYBMUJFWSA-N 1 2 275.377 1.838 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CCCN1O ZINC000895161540 619380237 /nfs/dbraw/zinc/38/02/37/619380237.db2.gz SFWHLIKJDHJZDB-VIFPVBQESA-N 1 2 288.706 1.655 20 30 CDEDLO CCn1c[nH+]c2c1CCN(c1ncccc1C#N)C2 ZINC000896659506 620180758 /nfs/dbraw/zinc/18/07/58/620180758.db2.gz JXXZKLDLAHUAFL-UHFFFAOYSA-N 1 2 253.309 1.732 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000899220305 622107942 /nfs/dbraw/zinc/10/79/42/622107942.db2.gz JLRBKFHNPDRVHB-RDBSUJKOSA-N 1 2 284.375 1.518 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000899220305 622107943 /nfs/dbraw/zinc/10/79/43/622107943.db2.gz JLRBKFHNPDRVHB-RDBSUJKOSA-N 1 2 284.375 1.518 20 30 CDEDLO Cc1nn(Cc2ccc(N(C)C)[nH+]c2)c(N)c1C#N ZINC000902286324 624617231 /nfs/dbraw/zinc/61/72/31/624617231.db2.gz RFTJYZHWWOMHPR-UHFFFAOYSA-N 1 2 256.313 1.155 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccsc2C#N)C1 ZINC000907131009 627537678 /nfs/dbraw/zinc/53/76/78/627537678.db2.gz IDGUEXBOEZPFPR-JTQLQIEISA-N 1 2 286.360 1.983 20 30 CDEDLO CC[C@H](CC#N)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000907388080 627633567 /nfs/dbraw/zinc/63/35/67/627633567.db2.gz MPMJGTBVEWOSRR-RSKUSDAESA-N 1 2 265.357 1.073 20 30 CDEDLO C=CCn1cccc1C(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001129514605 1162480723 /nfs/dbraw/zinc/48/07/23/1162480723.db2.gz XNDAZVCUGAYMOZ-UHFFFAOYSA-N 1 2 299.378 1.292 20 30 CDEDLO C=CCCC(=O)N1CCC[C@@H](N2CC[N@@H+](CC)CC2=O)C1 ZINC001131709159 1163007789 /nfs/dbraw/zinc/00/77/89/1163007789.db2.gz GWLFFEBZCCUGDB-CQSZACIVSA-N 1 2 293.411 1.108 20 30 CDEDLO C=CCCC(=O)N1CCC[C@@H](N2CC[N@H+](CC)CC2=O)C1 ZINC001131709159 1163007794 /nfs/dbraw/zinc/00/77/94/1163007794.db2.gz GWLFFEBZCCUGDB-CQSZACIVSA-N 1 2 293.411 1.108 20 30 CDEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)C[C@H](O)CC#N ZINC000809572321 1163039332 /nfs/dbraw/zinc/03/93/32/1163039332.db2.gz MAFWVJXTPITDBD-CQSZACIVSA-N 1 2 289.379 1.920 20 30 CDEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)C[C@H](O)CC#N ZINC000809572321 1163039336 /nfs/dbraw/zinc/03/93/36/1163039336.db2.gz MAFWVJXTPITDBD-CQSZACIVSA-N 1 2 289.379 1.920 20 30 CDEDLO C=CCCC[NH+]1CCN(C(=O)c2snnc2CC)CC1 ZINC001113076664 1162094986 /nfs/dbraw/zinc/09/49/86/1162094986.db2.gz AUVXCKRLZJFANH-UHFFFAOYSA-N 1 2 294.424 1.825 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2nc(C)c(C)o2)cc1 ZINC001132215628 1163200665 /nfs/dbraw/zinc/20/06/65/1163200665.db2.gz CCFNPDPGOUYNBL-UHFFFAOYSA-N 1 2 297.358 1.792 20 30 CDEDLO C[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)CN1CC#N ZINC001132541185 1163354442 /nfs/dbraw/zinc/35/44/42/1163354442.db2.gz BFYVQIRLFVUQDM-KBPBESRZSA-N 1 2 289.383 1.156 20 30 CDEDLO C=C1CCC(C(=O)NCC[NH2+]Cc2nccc(C)n2)CC1 ZINC001133369352 1163658739 /nfs/dbraw/zinc/65/87/39/1163658739.db2.gz URXOKQCLSJJZDL-UHFFFAOYSA-N 1 2 288.395 1.737 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@@H]3F)CC2)cc1 ZINC001646931879 1168263627 /nfs/dbraw/zinc/26/36/27/1168263627.db2.gz SSNKWIRSSKUFAT-GJZGRUSLSA-N 1 2 287.338 1.560 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](C)OCC ZINC001714579198 1179229561 /nfs/dbraw/zinc/22/95/61/1179229561.db2.gz XBWYNHRJSGRDKY-NSHDSACASA-N 1 2 262.781 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](C)OCC ZINC001714579198 1179229564 /nfs/dbraw/zinc/22/95/64/1179229564.db2.gz XBWYNHRJSGRDKY-NSHDSACASA-N 1 2 262.781 1.602 20 30 CDEDLO C=C(C)CCC(=O)NCCC[N@@H+](C)[C@H](C)c1nncn1C ZINC001751979665 1184804346 /nfs/dbraw/zinc/80/43/46/1184804346.db2.gz BUXNHKYJXVPILI-CYBMUJFWSA-N 1 2 293.415 1.671 20 30 CDEDLO C=C(C)CCC(=O)NCCC[N@H+](C)[C@H](C)c1nncn1C ZINC001751979665 1184804355 /nfs/dbraw/zinc/80/43/55/1184804355.db2.gz BUXNHKYJXVPILI-CYBMUJFWSA-N 1 2 293.415 1.671 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2(C(F)F)CC2)C1 ZINC001753649109 1185287885 /nfs/dbraw/zinc/28/78/85/1185287885.db2.gz RICWSVPOKMVMAG-NSHDSACASA-N 1 2 288.338 1.425 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C2(C(F)F)CC2)C1 ZINC001753649109 1185287888 /nfs/dbraw/zinc/28/78/88/1185287888.db2.gz RICWSVPOKMVMAG-NSHDSACASA-N 1 2 288.338 1.425 20 30 CDEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)C(C)=C2CCC2)C1 ZINC001754767133 1185727138 /nfs/dbraw/zinc/72/71/38/1185727138.db2.gz GOIJBBJIFKRVCS-UHFFFAOYSA-N 1 2 264.369 1.226 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)C[C@@H](C)OC)O2 ZINC001755052906 1185799977 /nfs/dbraw/zinc/79/99/77/1185799977.db2.gz KGGWEGNOEJROEK-ZIAGYGMSSA-N 1 2 296.411 1.337 20 30 CDEDLO C[C@H](CN(C)C(=O)C#CC(C)(C)C)[NH2+]Cc1cnsn1 ZINC001755585819 1186002415 /nfs/dbraw/zinc/00/24/15/1186002415.db2.gz CJPKMDRJCIUWQG-LLVKDONJSA-N 1 2 294.424 1.524 20 30 CDEDLO Cc1nnc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C#CC(C)C)C2)o1 ZINC001755679616 1186035673 /nfs/dbraw/zinc/03/56/73/1186035673.db2.gz ZPQKAWVUVLCVIN-DGCLKSJQSA-N 1 2 290.367 1.116 20 30 CDEDLO C#CC[NH+]1CCN(C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000305671542 1186648082 /nfs/dbraw/zinc/64/80/82/1186648082.db2.gz XKHRNSIJTDLEMU-HNNXBMFYSA-N 1 2 280.318 1.249 20 30 CDEDLO C#CCN1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000305671542 1186648085 /nfs/dbraw/zinc/64/80/85/1186648085.db2.gz XKHRNSIJTDLEMU-HNNXBMFYSA-N 1 2 280.318 1.249 20 30 CDEDLO C#Cc1ccccc1C(=O)NCCc1[nH+]ccn1C ZINC001191129387 1164379016 /nfs/dbraw/zinc/37/90/16/1164379016.db2.gz MSHGFDUVBJRBRX-UHFFFAOYSA-N 1 2 253.305 1.374 20 30 CDEDLO C#CC[NH+]1CC2(C1)CCN(C(=O)C(F)C(F)(F)F)CC2 ZINC001035709520 829211837 /nfs/dbraw/zinc/21/18/37/829211837.db2.gz HZJBBAFXVLOXJT-SNVBAGLBSA-N 1 2 292.276 1.444 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)CC2CCC(OC)CC2)C1 ZINC001031489534 832305397 /nfs/dbraw/zinc/30/53/97/832305397.db2.gz BTUMDCPNBYIZFJ-UHFFFAOYSA-N 1 2 278.396 1.405 20 30 CDEDLO N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C/C=C/Cl)[nH]1 ZINC001032361482 833038859 /nfs/dbraw/zinc/03/88/59/833038859.db2.gz PNHQXBDAMVYECT-YFLYKPHVSA-N 1 2 290.754 1.538 20 30 CDEDLO N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C/C=C/Cl)[nH]1 ZINC001032361482 833038865 /nfs/dbraw/zinc/03/88/65/833038865.db2.gz PNHQXBDAMVYECT-YFLYKPHVSA-N 1 2 290.754 1.538 20 30 CDEDLO C[C@@H]1CCN(CC#N)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000966919571 833034461 /nfs/dbraw/zinc/03/44/61/833034461.db2.gz ZLPWAROIVCMVHH-IAQYHMDHSA-N 1 2 297.362 1.527 20 30 CDEDLO CC(C)n1c[nH+]cc1CN=Nc1ncnc2c1cnn2C ZINC000819805853 833076732 /nfs/dbraw/zinc/07/67/32/833076732.db2.gz DICIYIRACOFMPQ-UHFFFAOYSA-N 1 2 284.327 1.587 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844451357 833098626 /nfs/dbraw/zinc/09/86/26/833098626.db2.gz JYDVFGVBTSQKBP-UTUOFQBUSA-N 1 2 297.349 1.914 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844451357 833098637 /nfs/dbraw/zinc/09/86/37/833098637.db2.gz JYDVFGVBTSQKBP-UTUOFQBUSA-N 1 2 297.349 1.914 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(C)n2C)C1 ZINC001042474722 833132739 /nfs/dbraw/zinc/13/27/39/833132739.db2.gz SVMWNWRMGSOCMW-UHFFFAOYSA-N 1 2 259.353 1.113 20 30 CDEDLO C=C(Br)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000823962859 833149355 /nfs/dbraw/zinc/14/93/55/833149355.db2.gz XQUWDBRIQVISOF-RKDXNWHRSA-N 1 2 284.157 1.548 20 30 CDEDLO COC(=O)C1([NH2+]CCO[C@H](C)C#N)CCCCC1 ZINC000801922128 835639256 /nfs/dbraw/zinc/63/92/56/835639256.db2.gz RBWAQPZBZYIUHJ-LLVKDONJSA-N 1 2 254.330 1.381 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2C2OCCO2)n1 ZINC000876680293 833242212 /nfs/dbraw/zinc/24/22/12/833242212.db2.gz ZDRYXCWRCHKEJN-AWEZNQCLSA-N 1 2 273.336 1.681 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCCC[C@H]2C2OCCO2)n1 ZINC000876680293 833242228 /nfs/dbraw/zinc/24/22/28/833242228.db2.gz ZDRYXCWRCHKEJN-AWEZNQCLSA-N 1 2 273.336 1.681 20 30 CDEDLO C#Cc1cccc(CNC(=O)CCCn2cc[nH+]c2)c1 ZINC000837107183 833251382 /nfs/dbraw/zinc/25/13/82/833251382.db2.gz ZOUUWBVZQAHSAD-UHFFFAOYSA-N 1 2 267.332 1.961 20 30 CDEDLO C#CCO[C@H](C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882871232 833278576 /nfs/dbraw/zinc/27/85/76/833278576.db2.gz BSFUVTGJVMUEAS-GDBMZVCRSA-N 1 2 297.358 1.779 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001032981245 833287875 /nfs/dbraw/zinc/28/78/75/833287875.db2.gz NMQUADOGJLJLMC-GFCCVEGCSA-N 1 2 282.775 1.237 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001032981245 833287880 /nfs/dbraw/zinc/28/78/80/833287880.db2.gz NMQUADOGJLJLMC-GFCCVEGCSA-N 1 2 282.775 1.237 20 30 CDEDLO N#Cc1csc(C(=O)OCc2cc[nH+]c(N)c2)c1 ZINC000791993880 833294202 /nfs/dbraw/zinc/29/42/02/833294202.db2.gz XCVVYFMUXLMKOY-UHFFFAOYSA-N 1 2 259.290 1.954 20 30 CDEDLO C#C[C@H](NC(=O)Nc1ccn2cc[nH+]c2c1)[C@H]1CCCO1 ZINC000810229222 833311514 /nfs/dbraw/zinc/31/15/14/833311514.db2.gz UUTHTNBQKLJNMI-QWHCGFSZSA-N 1 2 284.319 1.637 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2oc(CC3CC3)nc2C)C1 ZINC001030319031 833319843 /nfs/dbraw/zinc/31/98/43/833319843.db2.gz RKLMPOJPSMZRRF-UHFFFAOYSA-N 1 2 289.379 1.926 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001030409705 828845301 /nfs/dbraw/zinc/84/53/01/828845301.db2.gz PZTMGQOOIVTXPX-SNVBAGLBSA-N 1 2 256.296 1.246 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(COC)n1 ZINC001032813984 828880616 /nfs/dbraw/zinc/88/06/16/828880616.db2.gz SNWGATNWWJQPSW-QWRGUYRKSA-N 1 2 293.392 1.374 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(COC)n1 ZINC001032813984 828880617 /nfs/dbraw/zinc/88/06/17/828880617.db2.gz SNWGATNWWJQPSW-QWRGUYRKSA-N 1 2 293.392 1.374 20 30 CDEDLO C=CCN1CCN(C[N@@H+](C)Cc2ccn(CC)c2)C1=O ZINC000840052511 828892769 /nfs/dbraw/zinc/89/27/69/828892769.db2.gz DEFQZCPDLIDDEY-UHFFFAOYSA-N 1 2 276.384 1.821 20 30 CDEDLO C=CCN1CCN(C[N@H+](C)Cc2ccn(CC)c2)C1=O ZINC000840052511 828892775 /nfs/dbraw/zinc/89/27/75/828892775.db2.gz DEFQZCPDLIDDEY-UHFFFAOYSA-N 1 2 276.384 1.821 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CC23CCOCC3)C1 ZINC001044379470 828896426 /nfs/dbraw/zinc/89/64/26/828896426.db2.gz LHNFXVDWMLRGNR-ZDUSSCGKSA-N 1 2 264.369 1.132 20 30 CDEDLO C#CCCCS(=O)(=O)Nc1c[nH+]c2ccccn12 ZINC000849337083 833337910 /nfs/dbraw/zinc/33/79/10/833337910.db2.gz OZOUFDQSGCOKOR-UHFFFAOYSA-N 1 2 263.322 1.489 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCCN2C(=O)CCC)C1 ZINC001031428518 833339716 /nfs/dbraw/zinc/33/97/16/833339716.db2.gz LPNSDNGDZIBQGN-CQSZACIVSA-N 1 2 293.411 1.154 20 30 CDEDLO C#CCN(Cc1ccc(F)cc1)C(=O)Cc1[nH]cc[nH+]1 ZINC000816909379 833345420 /nfs/dbraw/zinc/34/54/20/833345420.db2.gz QSGNGLOIOREHTF-UHFFFAOYSA-N 1 2 271.295 1.753 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2sccc2C)C1 ZINC001035273531 833345989 /nfs/dbraw/zinc/34/59/89/833345989.db2.gz KCIZKOCCVLZGRT-ZDUSSCGKSA-N 1 2 292.404 1.510 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2sccc2C)C1 ZINC001035273531 833345992 /nfs/dbraw/zinc/34/59/92/833345992.db2.gz KCIZKOCCVLZGRT-ZDUSSCGKSA-N 1 2 292.404 1.510 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncccc1F ZINC001038851760 829042060 /nfs/dbraw/zinc/04/20/60/829042060.db2.gz SIPHXCLUKNIIQJ-LLVKDONJSA-N 1 2 261.300 1.048 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncccc1F ZINC001038851760 829042049 /nfs/dbraw/zinc/04/20/49/829042049.db2.gz SIPHXCLUKNIIQJ-LLVKDONJSA-N 1 2 261.300 1.048 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)Cc1ccsc1 ZINC000884099681 833357491 /nfs/dbraw/zinc/35/74/91/833357491.db2.gz WKODUFUPRBZQRP-PWSUYJOCSA-N 1 2 296.392 1.242 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cn(C)nc2C2CC2)C1 ZINC001042804208 833358201 /nfs/dbraw/zinc/35/82/01/833358201.db2.gz HQPJFUPDHAYADD-UHFFFAOYSA-N 1 2 288.395 1.630 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)OCCc1c[nH+]cn1C ZINC000793249880 829145360 /nfs/dbraw/zinc/14/53/60/829145360.db2.gz JOAMZKIRCZOGMZ-UHFFFAOYSA-N 1 2 259.265 1.593 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001035337323 833374837 /nfs/dbraw/zinc/37/48/37/833374837.db2.gz SUWQIFBRSKYRFQ-NEPJUHHUSA-N 1 2 252.358 1.036 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001035337323 833374839 /nfs/dbraw/zinc/37/48/39/833374839.db2.gz SUWQIFBRSKYRFQ-NEPJUHHUSA-N 1 2 252.358 1.036 20 30 CDEDLO C#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001032477811 829180209 /nfs/dbraw/zinc/18/02/09/829180209.db2.gz SLWGUZCBRGSUAT-STQMWFEESA-N 1 2 280.331 1.095 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH]ccc-2n1 ZINC001032477811 829180226 /nfs/dbraw/zinc/18/02/26/829180226.db2.gz SLWGUZCBRGSUAT-STQMWFEESA-N 1 2 280.331 1.095 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH]ccc-2n1 ZINC001032477811 829180237 /nfs/dbraw/zinc/18/02/37/829180237.db2.gz SLWGUZCBRGSUAT-STQMWFEESA-N 1 2 280.331 1.095 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(OC(C)C)cc1 ZINC001038986286 833375706 /nfs/dbraw/zinc/37/57/06/833375706.db2.gz RCPWIAZNONQJHE-HNNXBMFYSA-N 1 2 286.375 1.911 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OC(C)C)cc1 ZINC001038986286 833375710 /nfs/dbraw/zinc/37/57/10/833375710.db2.gz RCPWIAZNONQJHE-HNNXBMFYSA-N 1 2 286.375 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001016428163 829239140 /nfs/dbraw/zinc/23/91/40/829239140.db2.gz SPLWPDYWXQFQBR-OLZOCXBDSA-N 1 2 298.814 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001016428163 829239150 /nfs/dbraw/zinc/23/91/50/829239150.db2.gz SPLWPDYWXQFQBR-OLZOCXBDSA-N 1 2 298.814 1.746 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(CCC)on1 ZINC001038863739 833381239 /nfs/dbraw/zinc/38/12/39/833381239.db2.gz MWFLQDBWTVIVRW-LBPRGKRZSA-N 1 2 275.352 1.455 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(CCC)on1 ZINC001038863739 833381240 /nfs/dbraw/zinc/38/12/40/833381240.db2.gz MWFLQDBWTVIVRW-LBPRGKRZSA-N 1 2 275.352 1.455 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(OCCC)c1 ZINC001038309879 833382107 /nfs/dbraw/zinc/38/21/07/833382107.db2.gz FRRCPEFAQYMEHB-HNNXBMFYSA-N 1 2 286.375 1.913 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(OCCC)c1 ZINC001038309879 833382110 /nfs/dbraw/zinc/38/21/10/833382110.db2.gz FRRCPEFAQYMEHB-HNNXBMFYSA-N 1 2 286.375 1.913 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c(C)noc1C ZINC001032778485 829249905 /nfs/dbraw/zinc/24/99/05/829249905.db2.gz UXIOMGXBNHQNFE-KBPBESRZSA-N 1 2 287.363 1.142 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c(C)noc1C ZINC001032778485 829249925 /nfs/dbraw/zinc/24/99/25/829249925.db2.gz UXIOMGXBNHQNFE-KBPBESRZSA-N 1 2 287.363 1.142 20 30 CDEDLO CN(C)c1ccccc1C[N@H+](C)Cn1cccc(C#N)c1=O ZINC000808235689 829269679 /nfs/dbraw/zinc/26/96/79/829269679.db2.gz ZOOHUFMLBVRUHJ-UHFFFAOYSA-N 1 2 296.374 1.875 20 30 CDEDLO CN(C)c1ccccc1C[N@@H+](C)Cn1cccc(C#N)c1=O ZINC000808235689 829269692 /nfs/dbraw/zinc/26/96/92/829269692.db2.gz ZOOHUFMLBVRUHJ-UHFFFAOYSA-N 1 2 296.374 1.875 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1nnc2ccccc2n1 ZINC001038514640 829317228 /nfs/dbraw/zinc/31/72/28/829317228.db2.gz CSERIYHSNBZJTL-LLVKDONJSA-N 1 2 283.335 1.015 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1nnc2ccccc2n1 ZINC001038514640 829317237 /nfs/dbraw/zinc/31/72/37/829317237.db2.gz CSERIYHSNBZJTL-LLVKDONJSA-N 1 2 283.335 1.015 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001008978971 829351705 /nfs/dbraw/zinc/35/17/05/829351705.db2.gz GUUYSZFLEWPEKR-NSHDSACASA-N 1 2 282.775 1.285 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001008978971 829351714 /nfs/dbraw/zinc/35/17/14/829351714.db2.gz GUUYSZFLEWPEKR-NSHDSACASA-N 1 2 282.775 1.285 20 30 CDEDLO C#CCCCCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000125280798 829379367 /nfs/dbraw/zinc/37/93/67/829379367.db2.gz JDUVKTQIGPKKGH-UONOGXRCSA-N 1 2 281.400 1.198 20 30 CDEDLO C#CCNC(=O)C[N@H+]1Cc2ccccc2OC[C@H]1C ZINC000782525265 829384785 /nfs/dbraw/zinc/38/47/85/829384785.db2.gz VJGKCSDXIWLRSP-GFCCVEGCSA-N 1 2 258.321 1.019 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1Cc2ccccc2OC[C@H]1C ZINC000782525265 829384796 /nfs/dbraw/zinc/38/47/96/829384796.db2.gz VJGKCSDXIWLRSP-GFCCVEGCSA-N 1 2 258.321 1.019 20 30 CDEDLO C[NH+]1CCN(N=Cc2c(O)ccc(Cl)c2F)CC1 ZINC000790136598 829418265 /nfs/dbraw/zinc/41/82/65/829418265.db2.gz NPDAUVDZJUGXDZ-UHFFFAOYSA-N 1 2 271.723 1.766 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCO2)C1 ZINC001010059734 829506616 /nfs/dbraw/zinc/50/66/16/829506616.db2.gz NNDNEHYFGWKYJI-HZPDHXFCSA-N 1 2 299.374 1.428 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCO2)C1 ZINC001010059734 829506643 /nfs/dbraw/zinc/50/66/43/829506643.db2.gz NNDNEHYFGWKYJI-HZPDHXFCSA-N 1 2 299.374 1.428 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@@H]1CCCC ZINC000884122793 833418027 /nfs/dbraw/zinc/41/80/27/833418027.db2.gz ZMCHVFHHRSKSDV-MELADBBJSA-N 1 2 296.411 1.908 20 30 CDEDLO CC(C)(C)C#CC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000837393614 829666897 /nfs/dbraw/zinc/66/68/97/829666897.db2.gz UEDDQSAREHDCNC-UHFFFAOYSA-N 1 2 266.385 1.263 20 30 CDEDLO CC(C)(C)C#CC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000837393614 829666936 /nfs/dbraw/zinc/66/69/36/829666936.db2.gz UEDDQSAREHDCNC-UHFFFAOYSA-N 1 2 266.385 1.263 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCN(C)c3ccccc32)C1 ZINC001042964503 829745669 /nfs/dbraw/zinc/74/56/69/829745669.db2.gz IOFMFWZJGMOHBI-MRXNPFEDSA-N 1 2 299.418 1.939 20 30 CDEDLO C#CCN(C(=O)N[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000922079615 829760137 /nfs/dbraw/zinc/76/01/37/829760137.db2.gz QODRXSKDVLVPOZ-LBPRGKRZSA-N 1 2 260.341 1.251 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1N(C)C ZINC001018265679 829821078 /nfs/dbraw/zinc/82/10/78/829821078.db2.gz JNYUMKBOHZEXQO-OKILXGFUSA-N 1 2 298.390 1.070 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1N(C)C ZINC001018265679 829821080 /nfs/dbraw/zinc/82/10/80/829821080.db2.gz JNYUMKBOHZEXQO-OKILXGFUSA-N 1 2 298.390 1.070 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CCCC1(C)C ZINC000818104279 829835312 /nfs/dbraw/zinc/83/53/12/829835312.db2.gz IZOPHVFHZSNPPT-XJKSGUPXSA-N 1 2 278.396 1.141 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CCCC1(C)C ZINC000818104279 829835314 /nfs/dbraw/zinc/83/53/14/829835314.db2.gz IZOPHVFHZSNPPT-XJKSGUPXSA-N 1 2 278.396 1.141 20 30 CDEDLO C#CC[C@H]1CC[N@@H+]([C@@H](C(=O)OC)c2cccnc2)C1 ZINC000886362834 829859046 /nfs/dbraw/zinc/85/90/46/829859046.db2.gz PJMQJKLDXQLJCM-GXTWGEPZSA-N 1 2 258.321 1.641 20 30 CDEDLO C#CC[C@H]1CC[N@H+]([C@@H](C(=O)OC)c2cccnc2)C1 ZINC000886362834 829859048 /nfs/dbraw/zinc/85/90/48/829859048.db2.gz PJMQJKLDXQLJCM-GXTWGEPZSA-N 1 2 258.321 1.641 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2csnc2C)CC1 ZINC000781326583 829878031 /nfs/dbraw/zinc/87/80/31/829878031.db2.gz FUPWTEULQOQSEY-UHFFFAOYSA-N 1 2 263.366 1.233 20 30 CDEDLO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2=NC(=O)N(C)C2)[C@@H]1C ZINC000986817884 833586607 /nfs/dbraw/zinc/58/66/07/833586607.db2.gz XROKHBGZBAXRLL-ZJUUUORDSA-N 1 2 298.774 1.071 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001038822206 830053481 /nfs/dbraw/zinc/05/34/81/830053481.db2.gz IMUKNFVTVQUEFR-SWLSCSKDSA-N 1 2 284.359 1.447 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001038822206 830053492 /nfs/dbraw/zinc/05/34/92/830053492.db2.gz IMUKNFVTVQUEFR-SWLSCSKDSA-N 1 2 284.359 1.447 20 30 CDEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1c[nH+]cn1C ZINC000847052865 830074537 /nfs/dbraw/zinc/07/45/37/830074537.db2.gz PCFNNFZSFBOCJW-LBPRGKRZSA-N 1 2 282.347 1.787 20 30 CDEDLO C=C1CC(C)(C(=O)NC2CN(Cc3c[nH+]cn3C)C2)C1 ZINC001030917189 830094259 /nfs/dbraw/zinc/09/42/59/830094259.db2.gz WZWVHBLUVREQEW-UHFFFAOYSA-N 1 2 274.368 1.077 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cn2cc(C)nc2s1 ZINC001038352073 830119777 /nfs/dbraw/zinc/11/97/77/830119777.db2.gz ZVWSEBVTAHQWOO-NSHDSACASA-N 1 2 290.392 1.694 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cn2cc(C)nc2s1 ZINC001038352073 830119788 /nfs/dbraw/zinc/11/97/88/830119788.db2.gz ZVWSEBVTAHQWOO-NSHDSACASA-N 1 2 290.392 1.694 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2COC3(C[NH+](CCCF)C3)C2)C1 ZINC001053920003 830149771 /nfs/dbraw/zinc/14/97/71/830149771.db2.gz YCDKMOHFADEGIX-ZDUSSCGKSA-N 1 2 296.386 1.662 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1c(F)ccc(OC)c1F ZINC001038932526 830160818 /nfs/dbraw/zinc/16/08/18/830160818.db2.gz FISRLGUTNFTSAP-JTQLQIEISA-N 1 2 296.317 1.964 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1c(F)ccc(OC)c1F ZINC001038932526 830160823 /nfs/dbraw/zinc/16/08/23/830160823.db2.gz FISRLGUTNFTSAP-JTQLQIEISA-N 1 2 296.317 1.964 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2scnc2C)C1 ZINC000923582251 830236366 /nfs/dbraw/zinc/23/63/66/830236366.db2.gz HLXONOZIORMGLK-NSHDSACASA-N 1 2 263.366 1.279 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2scnc2C)C1 ZINC000923582251 830236384 /nfs/dbraw/zinc/23/63/84/830236384.db2.gz HLXONOZIORMGLK-NSHDSACASA-N 1 2 263.366 1.279 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC001030714698 830252771 /nfs/dbraw/zinc/25/27/71/830252771.db2.gz AMPRXHXMNKUYDL-GJZGRUSLSA-N 1 2 276.380 1.158 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cn(C)nc2C(C)(C)C)C1 ZINC001031111807 830305832 /nfs/dbraw/zinc/30/58/32/830305832.db2.gz HCBRNFJIICWXQA-UHFFFAOYSA-N 1 2 290.411 1.708 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccon1 ZINC001027767091 830380553 /nfs/dbraw/zinc/38/05/53/830380553.db2.gz YSPDWLSLOAQBDI-JTQLQIEISA-N 1 2 269.732 1.621 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccon1 ZINC001027767091 830380562 /nfs/dbraw/zinc/38/05/62/830380562.db2.gz YSPDWLSLOAQBDI-JTQLQIEISA-N 1 2 269.732 1.621 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccsc1C ZINC001032394266 830382660 /nfs/dbraw/zinc/38/26/60/830382660.db2.gz FXRFMJCRDJEILZ-RYUDHWBXSA-N 1 2 260.362 1.588 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccsc1C ZINC001032394266 830382668 /nfs/dbraw/zinc/38/26/68/830382668.db2.gz FXRFMJCRDJEILZ-RYUDHWBXSA-N 1 2 260.362 1.588 20 30 CDEDLO C#CC[N@H+]1CCCC[C@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC001034453714 830385488 /nfs/dbraw/zinc/38/54/88/830385488.db2.gz QHNTZDNQVAVUGA-ZDUSSCGKSA-N 1 2 296.374 1.780 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC001034453714 830385500 /nfs/dbraw/zinc/38/55/00/830385500.db2.gz QHNTZDNQVAVUGA-ZDUSSCGKSA-N 1 2 296.374 1.780 20 30 CDEDLO CC(C)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004356415 830403149 /nfs/dbraw/zinc/40/31/49/830403149.db2.gz XVHQZSIQQHRJHK-CQSZACIVSA-N 1 2 263.385 1.869 20 30 CDEDLO CC(C)C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004356415 830403156 /nfs/dbraw/zinc/40/31/56/830403156.db2.gz XVHQZSIQQHRJHK-CQSZACIVSA-N 1 2 263.385 1.869 20 30 CDEDLO C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001009485171 830454686 /nfs/dbraw/zinc/45/46/86/830454686.db2.gz DEYGJHFUXYSJSU-ZDUSSCGKSA-N 1 2 297.362 1.175 20 30 CDEDLO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001009485171 830454709 /nfs/dbraw/zinc/45/47/09/830454709.db2.gz DEYGJHFUXYSJSU-ZDUSSCGKSA-N 1 2 297.362 1.175 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1snnc1C ZINC001038053717 830514337 /nfs/dbraw/zinc/51/43/37/830514337.db2.gz PNAVFKFAEIANGR-SNVBAGLBSA-N 1 2 266.370 1.227 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1snnc1C ZINC001038053717 830514348 /nfs/dbraw/zinc/51/43/48/830514348.db2.gz PNAVFKFAEIANGR-SNVBAGLBSA-N 1 2 266.370 1.227 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C)o1)CO2 ZINC001053731272 830522717 /nfs/dbraw/zinc/52/27/17/830522717.db2.gz RYNRPVGKRLYASR-ZDUSSCGKSA-N 1 2 288.347 1.184 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2ncoc2[C@H]2CCCO2)C1 ZINC001030787793 830691844 /nfs/dbraw/zinc/69/18/44/830691844.db2.gz VECMAVAUSZMBFC-GFCCVEGCSA-N 1 2 291.351 1.516 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCCN(CC#N)C3)ccn12 ZINC001007338921 830742015 /nfs/dbraw/zinc/74/20/15/830742015.db2.gz VNPOOBYEENSTQX-CQSZACIVSA-N 1 2 297.362 1.361 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nc(C(C)(C)C)co1 ZINC000889552912 833716620 /nfs/dbraw/zinc/71/66/20/833716620.db2.gz BYBKKBIOWBXVLU-LBPRGKRZSA-N 1 2 289.379 1.686 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nc(C(C)(C)C)co1 ZINC000889552912 833716634 /nfs/dbraw/zinc/71/66/34/833716634.db2.gz BYBKKBIOWBXVLU-LBPRGKRZSA-N 1 2 289.379 1.686 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnnc1 ZINC001028161648 832073946 /nfs/dbraw/zinc/07/39/46/832073946.db2.gz SJCHBRNMMXZKEP-GFCCVEGCSA-N 1 2 280.759 1.423 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccnnc1 ZINC001028161648 832073957 /nfs/dbraw/zinc/07/39/57/832073957.db2.gz SJCHBRNMMXZKEP-GFCCVEGCSA-N 1 2 280.759 1.423 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCC1(C)C)O2 ZINC001053646653 832156367 /nfs/dbraw/zinc/15/63/67/832156367.db2.gz BHCJYFNUZPUEMZ-KGLIPLIRSA-N 1 2 292.423 1.958 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)c3nnc[nH]3)CCC[C@H]12 ZINC000992334200 832188769 /nfs/dbraw/zinc/18/87/69/832188769.db2.gz UPVBXOYZEWYSTA-GWCFXTLKSA-N 1 2 295.774 1.284 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)c3nnc[nH]3)CCC[C@H]12 ZINC000992334200 832188807 /nfs/dbraw/zinc/18/88/07/832188807.db2.gz UPVBXOYZEWYSTA-GWCFXTLKSA-N 1 2 295.774 1.284 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)n(C)n1 ZINC001032510856 832204986 /nfs/dbraw/zinc/20/49/86/832204986.db2.gz MVGMWXOSOOBTOW-UWVGGRQHSA-N 1 2 280.759 1.158 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)n(C)n1 ZINC001032510856 832205005 /nfs/dbraw/zinc/20/50/05/832205005.db2.gz MVGMWXOSOOBTOW-UWVGGRQHSA-N 1 2 280.759 1.158 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001019232368 832268487 /nfs/dbraw/zinc/26/84/87/832268487.db2.gz XKPYXHIKGCPDTB-NSHDSACASA-N 1 2 294.424 1.831 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(CC)n1 ZINC001027868904 832321260 /nfs/dbraw/zinc/32/12/60/832321260.db2.gz AXSWGJJNPUKYSS-LLVKDONJSA-N 1 2 297.790 1.245 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(CC)n1 ZINC001027868904 832321274 /nfs/dbraw/zinc/32/12/74/832321274.db2.gz AXSWGJJNPUKYSS-LLVKDONJSA-N 1 2 297.790 1.245 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886344954 832344114 /nfs/dbraw/zinc/34/41/14/832344114.db2.gz OOCKBUQMNINUJL-MJBXVCDLSA-N 1 2 256.305 1.724 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886344954 832344123 /nfs/dbraw/zinc/34/41/23/832344123.db2.gz OOCKBUQMNINUJL-MJBXVCDLSA-N 1 2 256.305 1.724 20 30 CDEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2cc(F)ccc2C#N)C1 ZINC000805477844 832347040 /nfs/dbraw/zinc/34/70/40/832347040.db2.gz AEFFALYNUMSNPH-CQSZACIVSA-N 1 2 292.310 1.461 20 30 CDEDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2cc(F)ccc2C#N)C1 ZINC000805477844 832347049 /nfs/dbraw/zinc/34/70/49/832347049.db2.gz AEFFALYNUMSNPH-CQSZACIVSA-N 1 2 292.310 1.461 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc2ccccc21 ZINC001032504609 833838386 /nfs/dbraw/zinc/83/83/86/833838386.db2.gz IJVPEZUSAVCXME-KBPBESRZSA-N 1 2 291.354 1.767 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc2ccccc21 ZINC001032504609 833838387 /nfs/dbraw/zinc/83/83/87/833838387.db2.gz IJVPEZUSAVCXME-KBPBESRZSA-N 1 2 291.354 1.767 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ncccc2Cl)CC1 ZINC000814107108 833848862 /nfs/dbraw/zinc/84/88/62/833848862.db2.gz VLXGMCHSCKPZLY-UHFFFAOYSA-N 1 2 277.755 1.516 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3nc(C)n(C)c3c2)C1 ZINC001030783644 832456810 /nfs/dbraw/zinc/45/68/10/832456810.db2.gz VHDYTHAABHUZPL-UHFFFAOYSA-N 1 2 298.390 1.872 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ncccc2O)C1 ZINC001007177595 833868445 /nfs/dbraw/zinc/86/84/45/833868445.db2.gz NDVKILAAVQJPKG-LBPRGKRZSA-N 1 2 273.336 1.005 20 30 CDEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2ncccc2O)C1 ZINC001007177595 833868446 /nfs/dbraw/zinc/86/84/46/833868446.db2.gz NDVKILAAVQJPKG-LBPRGKRZSA-N 1 2 273.336 1.005 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC001006881961 833864004 /nfs/dbraw/zinc/86/40/04/833864004.db2.gz OJOQCIBDQLLXTR-OLZOCXBDSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC001006881961 833864005 /nfs/dbraw/zinc/86/40/05/833864005.db2.gz OJOQCIBDQLLXTR-OLZOCXBDSA-N 1 2 286.803 1.746 20 30 CDEDLO C=CC[N@@H+](CC(=O)OCC)C[C@@H](O)CC1(C#N)CCC1 ZINC000885966793 832483529 /nfs/dbraw/zinc/48/35/29/832483529.db2.gz DCIFJWCRJSGLSW-ZDUSSCGKSA-N 1 2 280.368 1.482 20 30 CDEDLO C=CC[N@H+](CC(=O)OCC)C[C@@H](O)CC1(C#N)CCC1 ZINC000885966793 832483540 /nfs/dbraw/zinc/48/35/40/832483540.db2.gz DCIFJWCRJSGLSW-ZDUSSCGKSA-N 1 2 280.368 1.482 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1coc(OC)n1 ZINC001028055632 832494832 /nfs/dbraw/zinc/49/48/32/832494832.db2.gz ZKFCJTAEKYVZMW-JTQLQIEISA-N 1 2 299.758 1.630 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1coc(OC)n1 ZINC001028055632 832494854 /nfs/dbraw/zinc/49/48/54/832494854.db2.gz ZKFCJTAEKYVZMW-JTQLQIEISA-N 1 2 299.758 1.630 20 30 CDEDLO C[C@H](CC(=O)NCCNc1ncccc1C#N)n1cc[nH+]c1 ZINC000845283925 832502871 /nfs/dbraw/zinc/50/28/71/832502871.db2.gz BDMXJGVUIZGBGF-GFCCVEGCSA-N 1 2 298.350 1.329 20 30 CDEDLO C[C@H](c1ncccn1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000930543327 832529884 /nfs/dbraw/zinc/52/98/84/832529884.db2.gz SBGPQTXNRXYSRV-TZMCWYRMSA-N 1 2 295.346 1.958 20 30 CDEDLO C[C@H](c1ncccn1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000930543327 832529893 /nfs/dbraw/zinc/52/98/93/832529893.db2.gz SBGPQTXNRXYSRV-TZMCWYRMSA-N 1 2 295.346 1.958 20 30 CDEDLO COc1ccc(O)c(/C=N/[C@H](C)C[NH+]2CCOCC2)c1 ZINC000048501867 832536584 /nfs/dbraw/zinc/53/65/84/832536584.db2.gz QOTNBIPBPZKWEV-HMHNVIDESA-N 1 2 278.352 1.540 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCC[C@@H]1CC ZINC000884092303 833884378 /nfs/dbraw/zinc/88/43/78/833884378.db2.gz ZVGXPOQBPWNXGC-RWMBFGLXSA-N 1 2 282.384 1.518 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc3n[nH]cc32)C1 ZINC001033911491 833896878 /nfs/dbraw/zinc/89/68/78/833896878.db2.gz BCCUQUNKTGEIPS-CYBMUJFWSA-N 1 2 296.374 1.733 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc3n[nH]cc32)C1 ZINC001033911491 833896880 /nfs/dbraw/zinc/89/68/80/833896880.db2.gz BCCUQUNKTGEIPS-CYBMUJFWSA-N 1 2 296.374 1.733 20 30 CDEDLO C=CC[N@H+]1C[C@H](NC(=O)c2cnns2)CC[C@@H]1C ZINC001071371954 832614388 /nfs/dbraw/zinc/61/43/88/832614388.db2.gz WGYLRWNFTOWXKG-VHSXEESVSA-N 1 2 266.370 1.307 20 30 CDEDLO C=CC[N@@H+]1C[C@H](NC(=O)c2cnns2)CC[C@@H]1C ZINC001071371954 832614398 /nfs/dbraw/zinc/61/43/98/832614398.db2.gz WGYLRWNFTOWXKG-VHSXEESVSA-N 1 2 266.370 1.307 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Oc1ccccn1 ZINC001032736435 832665288 /nfs/dbraw/zinc/66/52/88/832665288.db2.gz QZWDCVFLAVDRIZ-ILXRZTDVSA-N 1 2 299.374 1.157 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Oc1ccccn1 ZINC001032736435 832665302 /nfs/dbraw/zinc/66/53/02/832665302.db2.gz QZWDCVFLAVDRIZ-ILXRZTDVSA-N 1 2 299.374 1.157 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2cccc(OC)c21 ZINC001038785157 832675997 /nfs/dbraw/zinc/67/59/97/832675997.db2.gz HOAGUBNYADEJFI-HUUCEWRRSA-N 1 2 298.386 1.549 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2cccc(OC)c21 ZINC001038785157 832676051 /nfs/dbraw/zinc/67/60/51/832676051.db2.gz HOAGUBNYADEJFI-HUUCEWRRSA-N 1 2 298.386 1.549 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](O)C(C)C)[C@@H]2C1 ZINC001075757359 832690805 /nfs/dbraw/zinc/69/08/05/832690805.db2.gz WELMSMBAUWDGHS-YNEHKIRRSA-N 1 2 286.803 1.289 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](O)C(C)C)[C@@H]2C1 ZINC001075757359 832690815 /nfs/dbraw/zinc/69/08/15/832690815.db2.gz WELMSMBAUWDGHS-YNEHKIRRSA-N 1 2 286.803 1.289 20 30 CDEDLO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(COC)s1 ZINC001039083065 833963794 /nfs/dbraw/zinc/96/37/94/833963794.db2.gz UXQHZWHIGCOSLK-LLVKDONJSA-N 1 2 293.392 1.117 20 30 CDEDLO C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(COC)s1 ZINC001039083065 833963818 /nfs/dbraw/zinc/96/38/18/833963818.db2.gz UXQHZWHIGCOSLK-LLVKDONJSA-N 1 2 293.392 1.117 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1ccccc1 ZINC001032749302 832818823 /nfs/dbraw/zinc/81/88/23/832818823.db2.gz BSWAGQCIGRZSKA-GJZGRUSLSA-N 1 2 284.359 1.374 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1ccccc1 ZINC001032749302 832818827 /nfs/dbraw/zinc/81/88/27/832818827.db2.gz BSWAGQCIGRZSKA-GJZGRUSLSA-N 1 2 284.359 1.374 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cncs2)C1 ZINC001035301612 832828903 /nfs/dbraw/zinc/82/89/03/832828903.db2.gz RSFYVQPQTVTKSQ-NSHDSACASA-N 1 2 281.381 1.150 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cncs2)C1 ZINC001035301612 832828904 /nfs/dbraw/zinc/82/89/04/832828904.db2.gz RSFYVQPQTVTKSQ-NSHDSACASA-N 1 2 281.381 1.150 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC3(C)CC3)C[C@@H]21 ZINC001074300075 832830635 /nfs/dbraw/zinc/83/06/35/832830635.db2.gz ORMUICNDOHYBQE-LSDHHAIUSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC3(C)CC3)C[C@@H]21 ZINC001074300075 832830637 /nfs/dbraw/zinc/83/06/37/832830637.db2.gz ORMUICNDOHYBQE-LSDHHAIUSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc(OC)cc2)C1 ZINC001031302237 832838401 /nfs/dbraw/zinc/83/84/01/832838401.db2.gz DZLFYCHCGTUOQA-UHFFFAOYSA-N 1 2 272.348 1.061 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC001031086636 832855476 /nfs/dbraw/zinc/85/54/76/832855476.db2.gz XSVMCHYMQUIHSB-SJORKVTESA-N 1 2 298.386 1.588 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc3cc(C)ccn32)C1 ZINC001042781677 832856496 /nfs/dbraw/zinc/85/64/96/832856496.db2.gz ZIFFDSAXTXLTAW-UHFFFAOYSA-N 1 2 296.374 1.422 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(OC)cc2)C1 ZINC001031300252 832861817 /nfs/dbraw/zinc/86/18/17/832861817.db2.gz ZVNIBZHLSQXAKU-UHFFFAOYSA-N 1 2 258.321 1.133 20 30 CDEDLO C=C(Br)C[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000789333993 832870882 /nfs/dbraw/zinc/87/08/82/832870882.db2.gz FIAZMOPIMXLHGH-NSHDSACASA-N 1 2 277.206 1.548 20 30 CDEDLO C=C(Br)C[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000789333993 832870884 /nfs/dbraw/zinc/87/08/84/832870884.db2.gz FIAZMOPIMXLHGH-NSHDSACASA-N 1 2 277.206 1.548 20 30 CDEDLO CCC(CC)([NH2+]C[C@@H](O)CC1(C#N)CCC1)C(=O)OC ZINC000886132424 832894299 /nfs/dbraw/zinc/89/42/99/832894299.db2.gz XZSYDOUXDBSYKY-LBPRGKRZSA-N 1 2 282.384 1.753 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(OC)o1 ZINC001038836060 832906083 /nfs/dbraw/zinc/90/60/83/832906083.db2.gz KKDUFGUKPOBVIC-NSHDSACASA-N 1 2 262.309 1.116 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OC)o1 ZINC001038836060 832906093 /nfs/dbraw/zinc/90/60/93/832906093.db2.gz KKDUFGUKPOBVIC-NSHDSACASA-N 1 2 262.309 1.116 20 30 CDEDLO COC[C@@H](C#N)OC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000811327374 832911207 /nfs/dbraw/zinc/91/12/07/832911207.db2.gz RXGGXGPVIOAURZ-OAHLLOKOSA-N 1 2 299.330 1.556 20 30 CDEDLO NC(=[NH+]OCC(=O)N1CCc2ccccc21)c1ccccc1 ZINC000028774876 832972598 /nfs/dbraw/zinc/97/25/98/832972598.db2.gz DHNGNFLKPFXRGI-UHFFFAOYSA-N 1 2 295.342 1.913 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001027813011 833473737 /nfs/dbraw/zinc/47/37/37/833473737.db2.gz LIJFPRDKBWZSQS-LBPRGKRZSA-N 1 2 292.770 1.833 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001027813011 833473763 /nfs/dbraw/zinc/47/37/63/833473763.db2.gz LIJFPRDKBWZSQS-LBPRGKRZSA-N 1 2 292.770 1.833 20 30 CDEDLO N#Cc1cnn(C(=O)c2ccc(-n3cc[nH+]c3)cc2)c1N ZINC000082288644 833529553 /nfs/dbraw/zinc/52/95/53/833529553.db2.gz XJCDZBKXQFDAKL-UHFFFAOYSA-N 1 2 278.275 1.211 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC(F)CC1 ZINC001017891208 833542121 /nfs/dbraw/zinc/54/21/21/833542121.db2.gz AYJMMIDJLKTTEA-ZMYVRHLSSA-N 1 2 278.371 1.823 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC(F)CC1 ZINC001017891208 833542138 /nfs/dbraw/zinc/54/21/38/833542138.db2.gz AYJMMIDJLKTTEA-ZMYVRHLSSA-N 1 2 278.371 1.823 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC001038652730 833829441 /nfs/dbraw/zinc/82/94/41/833829441.db2.gz WRAIKGPMRHOHBO-HNNXBMFYSA-N 1 2 281.359 1.995 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC001038652730 833829442 /nfs/dbraw/zinc/82/94/42/833829442.db2.gz WRAIKGPMRHOHBO-HNNXBMFYSA-N 1 2 281.359 1.995 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H](OC)C1 ZINC001017690719 833836078 /nfs/dbraw/zinc/83/60/78/833836078.db2.gz QHADSYKYGUZWPZ-LVQVYYBASA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H](OC)C1 ZINC001017690719 833836080 /nfs/dbraw/zinc/83/60/80/833836080.db2.gz QHADSYKYGUZWPZ-LVQVYYBASA-N 1 2 290.407 1.500 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001035521881 833838859 /nfs/dbraw/zinc/83/88/59/833838859.db2.gz CQABOAOZQKXYRE-OAHLLOKOSA-N 1 2 299.374 1.785 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001035521881 833838860 /nfs/dbraw/zinc/83/88/60/833838860.db2.gz CQABOAOZQKXYRE-OAHLLOKOSA-N 1 2 299.374 1.785 20 30 CDEDLO Cn1nccc1[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CCO1 ZINC000933538235 833839252 /nfs/dbraw/zinc/83/92/52/833839252.db2.gz COBQGDCUOVOMMQ-DYEKYZERSA-N 1 2 260.341 1.486 20 30 CDEDLO Cn1nccc1[C@@H]1C[N@H+]([C@H]2CC[C@@H](C#N)C2)CCO1 ZINC000933538235 833839253 /nfs/dbraw/zinc/83/92/53/833839253.db2.gz COBQGDCUOVOMMQ-DYEKYZERSA-N 1 2 260.341 1.486 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(OC)ns2)[C@@H]1C ZINC000993371522 833869821 /nfs/dbraw/zinc/86/98/21/833869821.db2.gz ZOWZQMBJAIVOAQ-QWRGUYRKSA-N 1 2 293.392 1.368 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(OC)ns2)[C@@H]1C ZINC000993371522 833869822 /nfs/dbraw/zinc/86/98/22/833869822.db2.gz ZOWZQMBJAIVOAQ-QWRGUYRKSA-N 1 2 293.392 1.368 20 30 CDEDLO C#CCCN(CCOC)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000856386110 833949427 /nfs/dbraw/zinc/94/94/27/833949427.db2.gz KZSOOJWSMRWOTP-UHFFFAOYSA-N 1 2 297.358 1.984 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000787139099 834010286 /nfs/dbraw/zinc/01/02/86/834010286.db2.gz QBUMKVNAZZDESE-ZIAGYGMSSA-N 1 2 281.400 1.457 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000787139099 834010300 /nfs/dbraw/zinc/01/03/00/834010300.db2.gz QBUMKVNAZZDESE-ZIAGYGMSSA-N 1 2 281.400 1.457 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001038667015 834026563 /nfs/dbraw/zinc/02/65/63/834026563.db2.gz WRTNGVVKBRTSJI-LZWOXQAQSA-N 1 2 260.381 1.781 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001038667015 834026571 /nfs/dbraw/zinc/02/65/71/834026571.db2.gz WRTNGVVKBRTSJI-LZWOXQAQSA-N 1 2 260.381 1.781 20 30 CDEDLO C=C[C@H](C)ONC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000845626063 834069985 /nfs/dbraw/zinc/06/99/85/834069985.db2.gz QOYZBIMWSNOIGT-UWVGGRQHSA-N 1 2 250.302 1.003 20 30 CDEDLO C=CC[C@H]1CCC[N@H+](CN2C(=O)c3nccnc3C2=O)C1 ZINC000853537141 834097739 /nfs/dbraw/zinc/09/77/39/834097739.db2.gz PVNHPSAYXBLQNC-NSHDSACASA-N 1 2 286.335 1.318 20 30 CDEDLO C=CC[C@H]1CCC[N@@H+](CN2C(=O)c3nccnc3C2=O)C1 ZINC000853537141 834097750 /nfs/dbraw/zinc/09/77/50/834097750.db2.gz PVNHPSAYXBLQNC-NSHDSACASA-N 1 2 286.335 1.318 20 30 CDEDLO N#Cc1ccc(F)c(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000832517877 834118812 /nfs/dbraw/zinc/11/88/12/834118812.db2.gz REDGWEXKVOGQDY-LLVKDONJSA-N 1 2 284.294 1.639 20 30 CDEDLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029180370 834175779 /nfs/dbraw/zinc/17/57/79/834175779.db2.gz 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CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1noc2c1CCCC2 ZINC001032645957 834326331 /nfs/dbraw/zinc/32/63/31/834326331.db2.gz PMVURNCDXJDDSP-STQMWFEESA-N 1 2 299.374 1.475 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000877748109 834334109 /nfs/dbraw/zinc/33/41/09/834334109.db2.gz RFBOMWFESMIGBP-UHFFFAOYSA-N 1 2 269.352 1.366 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2ncc(Cl)s2)C1 ZINC001015258499 834340490 /nfs/dbraw/zinc/34/04/90/834340490.db2.gz DVUMSOTUHKXSCG-MRVPVSSYSA-N 1 2 269.757 1.234 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ncc(Cl)s2)C1 ZINC001015258499 834340501 /nfs/dbraw/zinc/34/05/01/834340501.db2.gz DVUMSOTUHKXSCG-MRVPVSSYSA-N 1 2 269.757 1.234 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2oc(CCC)nc2C)CC1 ZINC000989488083 834366531 /nfs/dbraw/zinc/36/65/31/834366531.db2.gz NAFPBPIKUWYKEY-UHFFFAOYSA-N 1 2 289.379 1.717 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2oc(CCC)nc2C)CC1 ZINC000989488083 834366540 /nfs/dbraw/zinc/36/65/40/834366540.db2.gz NAFPBPIKUWYKEY-UHFFFAOYSA-N 1 2 289.379 1.717 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/nfs/dbraw/zinc/61/41/65/834614165.db2.gz NVBQPJMEHZXYMH-NYTXWWLZSA-N 1 2 276.380 1.110 20 30 CDEDLO C[C@H]1[C@H](NC(=O)c2cccc3[nH+]ccn32)CCCN1CC#N ZINC000993598596 834624283 /nfs/dbraw/zinc/62/42/83/834624283.db2.gz JKMIQRBXGJFCFM-QWHCGFSZSA-N 1 2 297.362 1.441 20 30 CDEDLO C#C[C@H](CC)NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000854073885 834657376 /nfs/dbraw/zinc/65/73/76/834657376.db2.gz FGOXBJUPBSAZOJ-MGPQQGTHSA-N 1 2 274.368 1.887 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000781977545 834688220 /nfs/dbraw/zinc/68/82/20/834688220.db2.gz KJVGMROBKCHBGE-JQWIXIFHSA-N 1 2 292.301 1.168 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000781977545 834688227 /nfs/dbraw/zinc/68/82/27/834688227.db2.gz KJVGMROBKCHBGE-JQWIXIFHSA-N 1 2 292.301 1.168 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2c[nH]c3cnccc23)C1 ZINC001030836944 834734057 /nfs/dbraw/zinc/73/40/57/834734057.db2.gz DOPYITLQLVZJBE-UHFFFAOYSA-N 1 2 284.363 1.482 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cc(CC#N)ccn1 ZINC000871726715 834745173 /nfs/dbraw/zinc/74/51/73/834745173.db2.gz PXTMCRYVLLSKFX-UHFFFAOYSA-N 1 2 298.350 1.898 20 30 CDEDLO Cc1noc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H](C)C#N)n1 ZINC000959918783 834800270 /nfs/dbraw/zinc/80/02/70/834800270.db2.gz JHJFSEYKZAUDSX-JQWIXIFHSA-N 1 2 291.355 1.008 20 30 CDEDLO CCC(CC)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046005883 834811242 /nfs/dbraw/zinc/81/12/42/834811242.db2.gz APFGGYLJLDUVBL-HNNXBMFYSA-N 1 2 292.427 1.165 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2[nH]c(C)nc2C)C1 ZINC001035508238 834833182 /nfs/dbraw/zinc/83/31/82/834833182.db2.gz JXTCRQMUOSAJPJ-ZDUSSCGKSA-N 1 2 292.383 1.033 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2[nH]c(C)nc2C)C1 ZINC001035508238 834833185 /nfs/dbraw/zinc/83/31/85/834833185.db2.gz JXTCRQMUOSAJPJ-ZDUSSCGKSA-N 1 2 292.383 1.033 20 30 CDEDLO CC(C)n1ccc(CO[NH+]=C(N)Cc2cccnc2)n1 ZINC000092914124 834834820 /nfs/dbraw/zinc/83/48/20/834834820.db2.gz 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ZINC001038650757 835072857 /nfs/dbraw/zinc/07/28/57/835072857.db2.gz JZMQJMSFANFFQZ-AWEZNQCLSA-N 1 2 282.347 1.390 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2n[nH]cc2c1 ZINC001038650757 835072869 /nfs/dbraw/zinc/07/28/69/835072869.db2.gz JZMQJMSFANFFQZ-AWEZNQCLSA-N 1 2 282.347 1.390 20 30 CDEDLO N#C[C@@H]1CCCN(CCOCC[N@@H+]2CCC[C@@H](C#N)C2)C1 ZINC000932153304 835165507 /nfs/dbraw/zinc/16/55/07/835165507.db2.gz NRGBZBGJHHHNND-HOTGVXAUSA-N 1 2 290.411 1.474 20 30 CDEDLO N#C[C@@H]1CCCN(CCOCC[N@H+]2CCC[C@@H](C#N)C2)C1 ZINC000932153304 835165540 /nfs/dbraw/zinc/16/55/40/835165540.db2.gz NRGBZBGJHHHNND-HOTGVXAUSA-N 1 2 290.411 1.474 20 30 CDEDLO CC#CC[N@@H+](CCNC(C)=O)Cc1ccsc1 ZINC000282517093 835173996 /nfs/dbraw/zinc/17/39/96/835173996.db2.gz PDYDGYJROOXHKS-UHFFFAOYSA-N 1 2 250.367 1.710 20 30 CDEDLO CC#CC[N@H+](CCNC(C)=O)Cc1ccsc1 ZINC000282517093 835173952 /nfs/dbraw/zinc/17/39/52/835173952.db2.gz PDYDGYJROOXHKS-UHFFFAOYSA-N 1 2 250.367 1.710 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[C@@H]2OC)C1 ZINC001044356434 835269156 /nfs/dbraw/zinc/26/91/56/835269156.db2.gz RTKWWPWZAABYRS-KGLIPLIRSA-N 1 2 266.385 1.520 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@](C)(C#N)CC ZINC000874708488 835304504 /nfs/dbraw/zinc/30/45/04/835304504.db2.gz NYZBPKSXYNHYNK-TZMCWYRMSA-N 1 2 267.373 1.153 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@](C)(C#N)CC ZINC000874708488 835304516 /nfs/dbraw/zinc/30/45/16/835304516.db2.gz NYZBPKSXYNHYNK-TZMCWYRMSA-N 1 2 267.373 1.153 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(C)n1 ZINC001018283199 835396023 /nfs/dbraw/zinc/39/60/23/835396023.db2.gz KBCOYXGTIKHJSK-OKILXGFUSA-N 1 2 284.363 1.097 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(C)n1 ZINC001018283199 835396032 /nfs/dbraw/zinc/39/60/32/835396032.db2.gz KBCOYXGTIKHJSK-OKILXGFUSA-N 1 2 284.363 1.097 20 30 CDEDLO Cc1oncc1C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038172497 835448511 /nfs/dbraw/zinc/44/85/11/835448511.db2.gz IBOBGFILOIMKHK-ZDUSSCGKSA-N 1 2 299.334 1.187 20 30 CDEDLO Cc1oncc1C[N@H+]1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038172497 835448520 /nfs/dbraw/zinc/44/85/20/835448520.db2.gz IBOBGFILOIMKHK-ZDUSSCGKSA-N 1 2 299.334 1.187 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2oc3ccccc3c2OC)C1 ZINC001015495165 835481801 /nfs/dbraw/zinc/48/18/01/835481801.db2.gz IXWGUXUOWVYJEJ-LBPRGKRZSA-N 1 2 298.342 1.879 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2oc3ccccc3c2OC)C1 ZINC001015495165 835481806 /nfs/dbraw/zinc/48/18/06/835481806.db2.gz IXWGUXUOWVYJEJ-LBPRGKRZSA-N 1 2 298.342 1.879 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCOC[C@H]2C)C1 ZINC001031958425 835495978 /nfs/dbraw/zinc/49/59/78/835495978.db2.gz VBIBVAXFZHOXGK-MFKMUULPSA-N 1 2 286.803 1.460 20 30 CDEDLO C=CCC[C@H]([NH2+]Cc1nnc(COC)[nH]1)[C@H]1CCCO1 ZINC000883234501 835501847 /nfs/dbraw/zinc/50/18/47/835501847.db2.gz GZULQEIVBPBIDG-NWDGAFQWSA-N 1 2 280.372 1.555 20 30 CDEDLO C[C@H]1[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CCCN1CC#N ZINC000993506944 835544729 /nfs/dbraw/zinc/54/47/29/835544729.db2.gz PBZKIBVKCWSCRJ-WCQYABFASA-N 1 2 297.362 1.669 20 30 CDEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C)C(=O)OC ZINC000839169397 835571772 /nfs/dbraw/zinc/57/17/72/835571772.db2.gz SJZJADOXKRARJT-LPWJVIDDSA-N 1 2 281.352 1.119 20 30 CDEDLO C#CCC[NH+]1CC(CNC(=O)c2cccc3nc[nH]c32)C1 ZINC001032067351 835622317 /nfs/dbraw/zinc/62/23/17/835622317.db2.gz HQCYUMFGKUYSIS-UHFFFAOYSA-N 1 2 282.347 1.248 20 30 CDEDLO C=CC(C)(C)CC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000884649570 835648140 /nfs/dbraw/zinc/64/81/40/835648140.db2.gz HZVZLJFZLUCMSM-GFCCVEGCSA-N 1 2 255.358 1.853 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)c2cccc(F)c2)nn1 ZINC000881409382 835730911 /nfs/dbraw/zinc/73/09/11/835730911.db2.gz KYJSYLQLPLACIX-OAHLLOKOSA-N 1 2 288.326 1.264 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)CN[C@@H](c1ccccc1)C(F)F ZINC001646517282 1167895432 /nfs/dbraw/zinc/89/54/32/1167895432.db2.gz RJSTVHKOLZQEEX-KGLIPLIRSA-N 1 2 297.349 1.789 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)CN[C@@H](c1ccccc1)C(F)F ZINC001646517282 1167895439 /nfs/dbraw/zinc/89/54/39/1167895439.db2.gz RJSTVHKOLZQEEX-KGLIPLIRSA-N 1 2 297.349 1.789 20 30 CDEDLO CN(C)C(=O)c1nc(C[NH2+]C2CCC(CC#N)CC2)no1 ZINC001173324877 912423382 /nfs/dbraw/zinc/42/33/82/912423382.db2.gz ALLWDNSDNQEVGG-UHFFFAOYSA-N 1 2 291.355 1.333 20 30 CDEDLO Cc1nc(NC2CCN(C(=O)C#CC(C)C)CC2)cc[nH+]1 ZINC001095226539 912628785 /nfs/dbraw/zinc/62/87/85/912628785.db2.gz OOJYABCSHKCLTI-UHFFFAOYSA-N 1 2 286.379 1.847 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=C)Cl)C[C@@H]1O ZINC001099944217 912870575 /nfs/dbraw/zinc/87/05/75/912870575.db2.gz JYLNFCQINNSXSL-RYUDHWBXSA-N 1 2 286.803 1.503 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=C)Cl)C[C@@H]1O ZINC001099944217 912870595 /nfs/dbraw/zinc/87/05/95/912870595.db2.gz JYLNFCQINNSXSL-RYUDHWBXSA-N 1 2 286.803 1.503 20 30 CDEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cocn1 ZINC001272375010 912968765 /nfs/dbraw/zinc/96/87/65/912968765.db2.gz LFHNVZZIBXRHGN-OAHLLOKOSA-N 1 2 275.352 1.818 20 30 CDEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cocn1 ZINC001272375010 912968776 /nfs/dbraw/zinc/96/87/76/912968776.db2.gz LFHNVZZIBXRHGN-OAHLLOKOSA-N 1 2 275.352 1.818 20 30 CDEDLO CC(C)=Nc1sc2c(c1C(N)=O)CC[N@@H+](C)C2 ZINC001174786589 913326542 /nfs/dbraw/zinc/32/65/42/913326542.db2.gz PRYQGFZYVFJFPZ-UHFFFAOYSA-N 1 2 251.355 1.780 20 30 CDEDLO CC(C)=Nc1sc2c(c1C(N)=O)CC[N@H+](C)C2 ZINC001174786589 913326559 /nfs/dbraw/zinc/32/65/59/913326559.db2.gz PRYQGFZYVFJFPZ-UHFFFAOYSA-N 1 2 251.355 1.780 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccn3c2nc(C)cc3C)CC1 ZINC001175118221 913465536 /nfs/dbraw/zinc/46/55/36/913465536.db2.gz KMJWZEJRQWXIAL-UHFFFAOYSA-N 1 2 298.390 1.895 20 30 CDEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1cccnn1)C2 ZINC001139970594 894303085 /nfs/dbraw/zinc/30/30/85/894303085.db2.gz YAOVRVDDJMNTKW-UHFFFAOYSA-N 1 2 250.305 1.907 20 30 CDEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1cccnn1)C2 ZINC001139970594 894303099 /nfs/dbraw/zinc/30/30/99/894303099.db2.gz YAOVRVDDJMNTKW-UHFFFAOYSA-N 1 2 250.305 1.907 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)CCOC)C1CC1 ZINC001266579492 895434749 /nfs/dbraw/zinc/43/47/49/895434749.db2.gz QQCMSRPWMDHUNJ-UHFFFAOYSA-N 1 2 260.765 1.356 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)CCOC)C1CC1 ZINC001266579492 895434752 /nfs/dbraw/zinc/43/47/52/895434752.db2.gz QQCMSRPWMDHUNJ-UHFFFAOYSA-N 1 2 260.765 1.356 20 30 CDEDLO N#CCOc1ccc(NCc2cc[nH+]c(N)c2)nc1 ZINC001167616814 897057386 /nfs/dbraw/zinc/05/73/86/897057386.db2.gz GNIXGQOLSCNMRG-UHFFFAOYSA-N 1 2 255.281 1.573 20 30 CDEDLO N#Cc1ccc(C(=O)NCC[NH2+]Cc2ncc(C3CC3)o2)[nH]1 ZINC001125775791 897938796 /nfs/dbraw/zinc/93/87/96/897938796.db2.gz AVQLRVRGYNSSON-UHFFFAOYSA-N 1 2 299.334 1.271 20 30 CDEDLO C[C@]1(CO)C[N@H+](Cc2cc(F)c(C#N)c(F)c2)CC[C@@H]1O ZINC001140753126 898190220 /nfs/dbraw/zinc/19/02/20/898190220.db2.gz YJKHTRDAXIITMP-LSDHHAIUSA-N 1 2 296.317 1.402 20 30 CDEDLO C[C@]1(CO)C[N@@H+](Cc2cc(F)c(C#N)c(F)c2)CC[C@@H]1O ZINC001140753126 898190222 /nfs/dbraw/zinc/19/02/22/898190222.db2.gz YJKHTRDAXIITMP-LSDHHAIUSA-N 1 2 296.317 1.402 20 30 CDEDLO C=CCCOCC(=O)N(CC)CCNc1cc[nH+]c(C)n1 ZINC001106787017 914302720 /nfs/dbraw/zinc/30/27/20/914302720.db2.gz TWPSMVBWHPUUEG-UHFFFAOYSA-N 1 2 292.383 1.638 20 30 CDEDLO C#CCC1(C(=O)N2CC[C@H]3OCC[N@@H+](CC)[C@H]3C2)CCC1 ZINC001177031705 914440699 /nfs/dbraw/zinc/44/06/99/914440699.db2.gz WUINIQUZLWXQRW-LSDHHAIUSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCC1(C(=O)N2CC[C@H]3OCC[N@H+](CC)[C@H]3C2)CCC1 ZINC001177031705 914440706 /nfs/dbraw/zinc/44/07/06/914440706.db2.gz WUINIQUZLWXQRW-LSDHHAIUSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCCF)C[C@H]21 ZINC001177066867 914473550 /nfs/dbraw/zinc/47/35/50/914473550.db2.gz HBXPFQIZDDJLFE-ZIAGYGMSSA-N 1 2 282.359 1.061 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCF)C[C@H]21 ZINC001177066867 914473553 /nfs/dbraw/zinc/47/35/53/914473553.db2.gz HBXPFQIZDDJLFE-ZIAGYGMSSA-N 1 2 282.359 1.061 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[N@@H+]([C@@H](C)c2cnccn2)CC1 ZINC000980848792 901129377 /nfs/dbraw/zinc/12/93/77/901129377.db2.gz BRTVIBQEYZCCQQ-STQMWFEESA-N 1 2 287.367 1.232 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[N@H+]([C@@H](C)c2cnccn2)CC1 ZINC000980848792 901129382 /nfs/dbraw/zinc/12/93/82/901129382.db2.gz BRTVIBQEYZCCQQ-STQMWFEESA-N 1 2 287.367 1.232 20 30 CDEDLO C=CCCOCC(=O)NCCC[NH2+][C@H](C)c1noc(C)n1 ZINC001177269080 914577575 /nfs/dbraw/zinc/57/75/75/914577575.db2.gz DMCPSIDKDANLET-LLVKDONJSA-N 1 2 296.371 1.128 20 30 CDEDLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nc2ccc(C#N)cc21 ZINC001269184948 903513163 /nfs/dbraw/zinc/51/31/63/903513163.db2.gz KUTXDVQSFIVRDB-TXEJJXNPSA-N 1 2 295.346 1.353 20 30 CDEDLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nc2ccc(C#N)cc21 ZINC001269184948 903513174 /nfs/dbraw/zinc/51/31/74/903513174.db2.gz KUTXDVQSFIVRDB-TXEJJXNPSA-N 1 2 295.346 1.353 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Oc1ccc(F)cc1C#N ZINC001227023714 905951074 /nfs/dbraw/zinc/95/10/74/905951074.db2.gz JHWJCZYUSLPQRO-LLVKDONJSA-N 1 2 264.300 1.797 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnccn2)[C@H]1C ZINC001088450625 907294436 /nfs/dbraw/zinc/29/44/36/907294436.db2.gz USGYDLSFJZSASN-MNOVXSKESA-N 1 2 280.759 1.422 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnccn2)[C@H]1C ZINC001088450625 907294449 /nfs/dbraw/zinc/29/44/49/907294449.db2.gz USGYDLSFJZSASN-MNOVXSKESA-N 1 2 280.759 1.422 20 30 CDEDLO C=C(C)CCC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001093181925 909667516 /nfs/dbraw/zinc/66/75/16/909667516.db2.gz WBNIMDGTKAXYIH-UHFFFAOYSA-N 1 2 274.368 1.790 20 30 CDEDLO C#CCC1(C(=O)NCCNc2cc[nH+]c(C)n2)CCC1 ZINC001093920506 910204388 /nfs/dbraw/zinc/20/43/88/910204388.db2.gz LFOGMTIFXFZEJE-UHFFFAOYSA-N 1 2 272.352 1.507 20 30 CDEDLO C#CCCCCC(=O)NCCCNc1cc[nH+]c(C)n1 ZINC001094395269 910575167 /nfs/dbraw/zinc/57/51/67/910575167.db2.gz HZYGBIZFMAFVOV-UHFFFAOYSA-N 1 2 274.368 1.897 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCCNc1cc[nH+]c(C)n1 ZINC001094793682 910774157 /nfs/dbraw/zinc/77/41/57/910774157.db2.gz OVFQEHCQTABUKD-OLZOCXBDSA-N 1 2 290.367 1.294 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@H]1CSc2ccccc2C1 ZINC001172196269 911481103 /nfs/dbraw/zinc/48/11/03/911481103.db2.gz NQQKWJSWUBXZCU-OLZOCXBDSA-N 1 2 259.378 1.501 20 30 CDEDLO Cc1noc(Nc2ccc(C[NH+]3CC(O)C3)cc2)c1C#N ZINC001212664304 911724683 /nfs/dbraw/zinc/72/46/83/911724683.db2.gz HMJTYTSDSVDHPP-UHFFFAOYSA-N 1 2 284.319 1.775 20 30 CDEDLO C=CC[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)OC)C1)C(=O)OC ZINC001172594616 911760594 /nfs/dbraw/zinc/76/05/94/911760594.db2.gz BQXJODDMNFONTM-WOPDTQHZSA-N 1 2 269.341 1.426 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C#N)Cc2cccs2)CC1 ZINC001177908527 915017365 /nfs/dbraw/zinc/01/73/65/915017365.db2.gz BWBBGRCWUPZFSO-ZDUSSCGKSA-N 1 2 289.404 1.761 20 30 CDEDLO N#Cc1ccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c(C#N)c1 ZINC001178117823 915181420 /nfs/dbraw/zinc/18/14/20/915181420.db2.gz IWJPPRYHUSSDIC-GFCCVEGCSA-N 1 2 291.314 1.828 20 30 CDEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001212337505 916007771 /nfs/dbraw/zinc/00/77/71/916007771.db2.gz QPIZSYZDHFBCHK-GHMZBOCLSA-N 1 2 292.782 1.550 20 30 CDEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001212337505 916007789 /nfs/dbraw/zinc/00/77/89/916007789.db2.gz QPIZSYZDHFBCHK-GHMZBOCLSA-N 1 2 292.782 1.550 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001097722490 936354824 /nfs/dbraw/zinc/35/48/24/936354824.db2.gz DBLONZPRENAQKH-RYUDHWBXSA-N 1 2 292.383 1.683 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C1(COCC)CC1 ZINC001485319748 916809537 /nfs/dbraw/zinc/80/95/37/916809537.db2.gz KVRXYXVRYWTGOW-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C1(COCC)CC1 ZINC001485319748 916809560 /nfs/dbraw/zinc/80/95/60/916809560.db2.gz KVRXYXVRYWTGOW-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO C=CCOCCCC(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001097771354 936377980 /nfs/dbraw/zinc/37/79/80/936377980.db2.gz ZLTZSKRSIFEYJG-GFCCVEGCSA-N 1 2 292.383 1.684 20 30 CDEDLO Cc1nc(N[C@H](C)CNC(=O)C#CC(C)C)cc[nH+]1 ZINC001097823459 936392674 /nfs/dbraw/zinc/39/26/74/936392674.db2.gz VSVJZVREQLLHIW-LLVKDONJSA-N 1 2 260.341 1.361 20 30 CDEDLO C=CCCC(=O)NCC[NH2+]Cc1nc2c(o1)CCCC2 ZINC001124641052 917513546 /nfs/dbraw/zinc/51/35/46/917513546.db2.gz ZODFPAVFXUWCFW-UHFFFAOYSA-N 1 2 277.368 1.725 20 30 CDEDLO Cc1c(CN2CCO[C@H](C#N)C2)[nH+]c2ccccn12 ZINC001137274157 936437993 /nfs/dbraw/zinc/43/79/93/936437993.db2.gz ITRDNYBNDRESNV-GFCCVEGCSA-N 1 2 256.309 1.367 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(F)c(F)c2F)CC1 ZINC001137940153 936439098 /nfs/dbraw/zinc/43/90/98/936439098.db2.gz KDUHUKYRMMQEQS-UHFFFAOYSA-N 1 2 268.282 1.855 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)COCCOCCCC)CC1 ZINC001182209823 917712907 /nfs/dbraw/zinc/71/29/07/917712907.db2.gz NMIYLOXWKZRTPG-UHFFFAOYSA-N 1 2 284.400 1.150 20 30 CDEDLO CC(C)C#CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2csnn2)C1 ZINC001182422920 917851769 /nfs/dbraw/zinc/85/17/69/917851769.db2.gz IDWHQYUDHVSKCN-VXGBXAGGSA-N 1 2 292.408 1.449 20 30 CDEDLO C=CCC[NH2+][C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001182719726 918070117 /nfs/dbraw/zinc/07/01/17/918070117.db2.gz VDSXQCSJGFDAGB-BDAKNGLRSA-N 1 2 268.254 1.653 20 30 CDEDLO C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001182719726 918070125 /nfs/dbraw/zinc/07/01/25/918070125.db2.gz VDSXQCSJGFDAGB-BDAKNGLRSA-N 1 2 268.254 1.653 20 30 CDEDLO Cc1nc(NC/C=C\CNC(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001107157789 918224737 /nfs/dbraw/zinc/22/47/37/918224737.db2.gz AWCZMPDZFZTVFG-WAYWQWQTSA-N 1 2 286.379 1.919 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC=CCC2)C1 ZINC001107732198 918706522 /nfs/dbraw/zinc/70/65/22/918706522.db2.gz BHXIDHYWROWKHF-DOTOQJQBSA-N 1 2 290.407 1.573 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC=CCC2)C1 ZINC001107732198 918706540 /nfs/dbraw/zinc/70/65/40/918706540.db2.gz BHXIDHYWROWKHF-DOTOQJQBSA-N 1 2 290.407 1.573 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[C@@H]2CCCO2)C1 ZINC001107757383 918741696 /nfs/dbraw/zinc/74/16/96/918741696.db2.gz LWATZFWKYONPSP-HOCLYGCPSA-N 1 2 296.411 1.339 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CC[C@@H]2CCCO2)C1 ZINC001107757383 918741707 /nfs/dbraw/zinc/74/17/07/918741707.db2.gz LWATZFWKYONPSP-HOCLYGCPSA-N 1 2 296.411 1.339 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)SC)C1 ZINC001107764152 918757367 /nfs/dbraw/zinc/75/73/67/918757367.db2.gz SDLJRFVENKMYSM-AAEUAGOBSA-N 1 2 272.414 1.131 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)SC)C1 ZINC001107764152 918757380 /nfs/dbraw/zinc/75/73/80/918757380.db2.gz SDLJRFVENKMYSM-AAEUAGOBSA-N 1 2 272.414 1.131 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2[nH]ccc2C)C1 ZINC001107910471 919038681 /nfs/dbraw/zinc/03/86/81/919038681.db2.gz GWWLAPYIHXJEMJ-OAHLLOKOSA-N 1 2 277.368 1.330 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2[nH]ccc2C)C1 ZINC001107910471 919038692 /nfs/dbraw/zinc/03/86/92/919038692.db2.gz GWWLAPYIHXJEMJ-OAHLLOKOSA-N 1 2 277.368 1.330 20 30 CDEDLO Cc1nc(NCC2CCN(C(=O)[C@@H](C)C#N)CC2)cc[nH+]1 ZINC001057479352 936561531 /nfs/dbraw/zinc/56/15/31/936561531.db2.gz RIEWYULISWFNDT-NSHDSACASA-N 1 2 287.367 1.595 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2=NOC3(C2)CCCCC3)CC1 ZINC001184690919 919230721 /nfs/dbraw/zinc/23/07/21/919230721.db2.gz RCBPKKNLMDFVPM-UHFFFAOYSA-N 1 2 291.395 1.796 20 30 CDEDLO C=C1CC(C)(C(=O)NCc2c[nH+]cn2CCOC)C1 ZINC001184794120 919283730 /nfs/dbraw/zinc/28/37/30/919283730.db2.gz ZJWVAEOWVUQQHG-UHFFFAOYSA-N 1 2 263.341 1.502 20 30 CDEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](O)[C@@H]2C)c(C#N)c1C ZINC001364426817 919730228 /nfs/dbraw/zinc/73/02/28/919730228.db2.gz STQBBKMWUSPHPR-CABZTGNLSA-N 1 2 293.392 1.630 20 30 CDEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](O)[C@@H]2C)c(C#N)c1C ZINC001364426817 919730240 /nfs/dbraw/zinc/73/02/40/919730240.db2.gz STQBBKMWUSPHPR-CABZTGNLSA-N 1 2 293.392 1.630 20 30 CDEDLO CCC[N@H+](CCC#N)Cc1cc(C(=O)OC)n(C)c1 ZINC001139373003 936617181 /nfs/dbraw/zinc/61/71/81/936617181.db2.gz USBHATCFAUSLIY-UHFFFAOYSA-N 1 2 263.341 1.937 20 30 CDEDLO CCC[N@@H+](CCC#N)Cc1cc(C(=O)OC)n(C)c1 ZINC001139373003 936617182 /nfs/dbraw/zinc/61/71/82/936617182.db2.gz USBHATCFAUSLIY-UHFFFAOYSA-N 1 2 263.341 1.937 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001078037347 920069387 /nfs/dbraw/zinc/06/93/87/920069387.db2.gz QQTXMDCCUPUDCH-NSHDSACASA-N 1 2 292.383 1.175 20 30 CDEDLO COCC#CC(=O)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001187127628 920375199 /nfs/dbraw/zinc/37/51/99/920375199.db2.gz CMMWRQPVVXWNET-MRXNPFEDSA-N 1 2 284.359 1.078 20 30 CDEDLO COCC#CC(=O)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001187127628 920375214 /nfs/dbraw/zinc/37/52/14/920375214.db2.gz CMMWRQPVVXWNET-MRXNPFEDSA-N 1 2 284.359 1.078 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc([C@H](C)CC)no2)[C@@H](O)C1 ZINC001083843245 921918710 /nfs/dbraw/zinc/91/87/10/921918710.db2.gz YCJYJYKZEJIVFF-RTXFEEFZSA-N 1 2 293.367 1.149 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc([C@H](C)CC)no2)[C@@H](O)C1 ZINC001083843245 921918714 /nfs/dbraw/zinc/91/87/14/921918714.db2.gz YCJYJYKZEJIVFF-RTXFEEFZSA-N 1 2 293.367 1.149 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cocc2C)C1 ZINC001108132647 922698796 /nfs/dbraw/zinc/69/87/96/922698796.db2.gz NXSFPKSTPBSBKD-OAHLLOKOSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cocc2C)C1 ZINC001108132647 922698799 /nfs/dbraw/zinc/69/87/99/922698799.db2.gz NXSFPKSTPBSBKD-OAHLLOKOSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2sccc2CC)C1 ZINC001035609825 923020472 /nfs/dbraw/zinc/02/04/72/923020472.db2.gz RSFVNOMQXWIOCS-CYBMUJFWSA-N 1 2 294.420 1.927 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2sccc2CC)C1 ZINC001035609825 923020490 /nfs/dbraw/zinc/02/04/90/923020490.db2.gz RSFVNOMQXWIOCS-CYBMUJFWSA-N 1 2 294.420 1.927 20 30 CDEDLO N#Cc1cc(F)ccc1CN1CC([N@@H+]2CC[C@H](F)C2)C1 ZINC001141166604 936824312 /nfs/dbraw/zinc/82/43/12/936824312.db2.gz ZULWXUDBLKTANR-AWEZNQCLSA-N 1 2 277.318 1.925 20 30 CDEDLO N#Cc1cc(F)ccc1CN1CC([N@H+]2CC[C@H](F)C2)C1 ZINC001141166604 936824313 /nfs/dbraw/zinc/82/43/13/936824313.db2.gz ZULWXUDBLKTANR-AWEZNQCLSA-N 1 2 277.318 1.925 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2[nH]c(=O)ccc2C)CC1 ZINC001193191723 923515159 /nfs/dbraw/zinc/51/51/59/923515159.db2.gz JZMAXPXLTHASBI-UHFFFAOYSA-N 1 2 261.325 1.039 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](OC)C(C)C)C1 ZINC001108184838 923922341 /nfs/dbraw/zinc/92/23/41/923922341.db2.gz YVWOTROMLLALNC-DZGCQCFKSA-N 1 2 284.400 1.051 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](OC)C(C)C)C1 ZINC001108184838 923922345 /nfs/dbraw/zinc/92/23/45/923922345.db2.gz YVWOTROMLLALNC-DZGCQCFKSA-N 1 2 284.400 1.051 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCC[C@](C)(CO)C2)nn1 ZINC001118564326 924636236 /nfs/dbraw/zinc/63/62/36/924636236.db2.gz AEGVGDIVSCEQMQ-AWEZNQCLSA-N 1 2 264.373 1.449 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCC[C@](C)(CO)C2)nn1 ZINC001118564326 924636240 /nfs/dbraw/zinc/63/62/40/924636240.db2.gz AEGVGDIVSCEQMQ-AWEZNQCLSA-N 1 2 264.373 1.449 20 30 CDEDLO CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001081242049 924721998 /nfs/dbraw/zinc/72/19/98/924721998.db2.gz WOXSMVZOZPFYRQ-CHWSQXEVSA-N 1 2 293.392 1.345 20 30 CDEDLO CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001081242049 924722002 /nfs/dbraw/zinc/72/20/02/924722002.db2.gz WOXSMVZOZPFYRQ-CHWSQXEVSA-N 1 2 293.392 1.345 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@H]2OC)C1 ZINC001082106598 924863668 /nfs/dbraw/zinc/86/36/68/924863668.db2.gz YPIICJQJJKUSPI-DIABFLQPSA-N 1 2 298.814 1.911 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@H]2OC)C1 ZINC001082106598 924863675 /nfs/dbraw/zinc/86/36/75/924863675.db2.gz YPIICJQJJKUSPI-DIABFLQPSA-N 1 2 298.814 1.911 20 30 CDEDLO C=CCCC1(C(=O)N2CCC[N@@H+](CC(=O)NC)CC2)CC1 ZINC001197055187 925036231 /nfs/dbraw/zinc/03/62/31/925036231.db2.gz LHWOFTACFAVDID-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO C=CCCC1(C(=O)N2CCC[N@H+](CC(=O)NC)CC2)CC1 ZINC001197055187 925036242 /nfs/dbraw/zinc/03/62/42/925036242.db2.gz LHWOFTACFAVDID-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3onc(C)c3C)[C@H]2C1 ZINC001083114935 925092852 /nfs/dbraw/zinc/09/28/52/925092852.db2.gz HZWJYYBKJLWMLH-QWHCGFSZSA-N 1 2 291.351 1.003 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3onc(C)c3C)[C@H]2C1 ZINC001083114935 925092861 /nfs/dbraw/zinc/09/28/61/925092861.db2.gz HZWJYYBKJLWMLH-QWHCGFSZSA-N 1 2 291.351 1.003 20 30 CDEDLO Cc1cc(NCCN(C)C(=O)[C@@H](C)C#N)nc(C2CC2)[nH+]1 ZINC001101544404 936986566 /nfs/dbraw/zinc/98/65/66/936986566.db2.gz YLVDNORQQHEQTJ-JTQLQIEISA-N 1 2 287.367 1.692 20 30 CDEDLO C=C1CC(C)(C(=O)NC[C@@]2(C)C[N@H+](CC#CC)CCO2)C1 ZINC001108201720 925787760 /nfs/dbraw/zinc/78/77/60/925787760.db2.gz QUIIEPCXRYIJBE-KRWDZBQOSA-N 1 2 290.407 1.573 20 30 CDEDLO C=C1CC(C)(C(=O)NC[C@@]2(C)C[N@@H+](CC#CC)CCO2)C1 ZINC001108201720 925787764 /nfs/dbraw/zinc/78/77/64/925787764.db2.gz QUIIEPCXRYIJBE-KRWDZBQOSA-N 1 2 290.407 1.573 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccncc1Cl ZINC001085838357 926437720 /nfs/dbraw/zinc/43/77/20/926437720.db2.gz HDEREPBVCBYAMB-NSHDSACASA-N 1 2 277.755 1.515 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccncc1Cl ZINC001085838357 926437725 /nfs/dbraw/zinc/43/77/25/926437725.db2.gz HDEREPBVCBYAMB-NSHDSACASA-N 1 2 277.755 1.515 20 30 CDEDLO C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2[nH]cnc21 ZINC001085889390 926478259 /nfs/dbraw/zinc/47/82/59/926478259.db2.gz YEBBELCXHOSFIX-CYBMUJFWSA-N 1 2 296.374 1.733 20 30 CDEDLO C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2[nH]cnc21 ZINC001085889390 926478262 /nfs/dbraw/zinc/47/82/62/926478262.db2.gz YEBBELCXHOSFIX-CYBMUJFWSA-N 1 2 296.374 1.733 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ncccc1OCC=C ZINC001085915627 926505084 /nfs/dbraw/zinc/50/50/84/926505084.db2.gz GMRRQRPRDFAFSR-AWEZNQCLSA-N 1 2 299.374 1.426 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncccc1OCC=C ZINC001085915627 926505087 /nfs/dbraw/zinc/50/50/87/926505087.db2.gz GMRRQRPRDFAFSR-AWEZNQCLSA-N 1 2 299.374 1.426 20 30 CDEDLO C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(F)C(F)(F)F)C1 ZINC001103011894 937111741 /nfs/dbraw/zinc/11/17/41/937111741.db2.gz VRGBTEIEWCZUQO-MXWKQRLJSA-N 1 2 294.292 1.594 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(F)C(F)(F)F)C1 ZINC001103011894 937111744 /nfs/dbraw/zinc/11/17/44/937111744.db2.gz VRGBTEIEWCZUQO-MXWKQRLJSA-N 1 2 294.292 1.594 20 30 CDEDLO C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001103011894 937111745 /nfs/dbraw/zinc/11/17/45/937111745.db2.gz VRGBTEIEWCZUQO-MXWKQRLJSA-N 1 2 294.292 1.594 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001103011894 937111747 /nfs/dbraw/zinc/11/17/47/937111747.db2.gz VRGBTEIEWCZUQO-MXWKQRLJSA-N 1 2 294.292 1.594 20 30 CDEDLO CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1ncccc1C#N ZINC001103161527 937125540 /nfs/dbraw/zinc/12/55/40/937125540.db2.gz DJAARRZWOAIBOJ-LBPRGKRZSA-N 1 2 298.350 1.226 20 30 CDEDLO N#CCC1C[NH+](Cc2scc3c2OCCO3)C1 ZINC001143178485 937129490 /nfs/dbraw/zinc/12/94/90/937129490.db2.gz GDCYOHJIWWWSSQ-UHFFFAOYSA-N 1 2 250.323 1.865 20 30 CDEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+]Cc1ncc(CC)o1 ZINC001153134287 927585002 /nfs/dbraw/zinc/58/50/02/927585002.db2.gz BDFUQDCEITUHMT-NSHDSACASA-N 1 2 281.356 1.034 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc(CS)cc2)C[NH2+]1 ZINC001169136345 927747713 /nfs/dbraw/zinc/74/77/13/927747713.db2.gz KEOLZKLWYUNFGX-NEPJUHHUSA-N 1 2 266.366 1.432 20 30 CDEDLO COc1ccc(C(=NO)Nc2ccn3cc(N)[nH+]c3c2)nc1 ZINC001169601394 928214798 /nfs/dbraw/zinc/21/47/98/928214798.db2.gz RVEAPEXKRZBNOX-UHFFFAOYSA-N 1 2 298.306 1.568 20 30 CDEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@H](C)CC)CC2=O)C1 ZINC001108509979 928218234 /nfs/dbraw/zinc/21/82/34/928218234.db2.gz LZJNGZKSJGRNKW-CHWSQXEVSA-N 1 2 293.411 1.010 20 30 CDEDLO CC1(C)CC(N2CC[NH2+]C[C@H]2C#N)CC(C)(C)N1O ZINC001169992014 928872360 /nfs/dbraw/zinc/87/23/60/928872360.db2.gz HZVQWQIVGAWLCN-GFCCVEGCSA-N 1 2 266.389 1.195 20 30 CDEDLO C#CCCCC(=O)N1CC[NH+](CCC(F)(F)F)CC1 ZINC001112810055 929442241 /nfs/dbraw/zinc/44/22/41/929442241.db2.gz ZGNXCZFKVJDZDD-UHFFFAOYSA-N 1 2 276.302 1.887 20 30 CDEDLO N#Cc1ccc(C[N@@H+](CC(N)=O)C2CCOCC2)c(F)c1 ZINC000880391654 929667362 /nfs/dbraw/zinc/66/73/62/929667362.db2.gz UPXFPVKHEIQYFJ-UHFFFAOYSA-N 1 2 291.326 1.164 20 30 CDEDLO N#Cc1ccc(C[N@H+](CC(N)=O)C2CCOCC2)c(F)c1 ZINC000880391654 929667367 /nfs/dbraw/zinc/66/73/67/929667367.db2.gz UPXFPVKHEIQYFJ-UHFFFAOYSA-N 1 2 291.326 1.164 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001134411652 929733912 /nfs/dbraw/zinc/73/39/12/929733912.db2.gz ADSKXGIRKKTMAG-UHFFFAOYSA-N 1 2 292.383 1.755 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccn3nccc3c2)CC1 ZINC001152842086 937392495 /nfs/dbraw/zinc/39/24/95/937392495.db2.gz YWNNRRVFJCGLFM-UHFFFAOYSA-N 1 2 270.336 1.278 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccon1 ZINC001153012209 937409993 /nfs/dbraw/zinc/40/99/93/937409993.db2.gz FNLDAFYOQXCJLY-IUODEOHRSA-N 1 2 295.383 1.328 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccon1 ZINC001153012209 937409995 /nfs/dbraw/zinc/40/99/95/937409995.db2.gz FNLDAFYOQXCJLY-IUODEOHRSA-N 1 2 295.383 1.328 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC3(CC3)C2)[C@@H](O)C1 ZINC001090559003 931105946 /nfs/dbraw/zinc/10/59/46/931105946.db2.gz HLIYXUBOEZQJKR-OLZOCXBDSA-N 1 2 298.814 1.481 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC3(CC3)C2)[C@@H](O)C1 ZINC001090559003 931105952 /nfs/dbraw/zinc/10/59/52/931105952.db2.gz HLIYXUBOEZQJKR-OLZOCXBDSA-N 1 2 298.814 1.481 20 30 CDEDLO C[C@@H](Cc1cccc(C#N)c1)N1CC[NH2+]C[C@H]1C#N ZINC001171208381 931962891 /nfs/dbraw/zinc/96/28/91/931962891.db2.gz BFVDOVPGYVXCSR-SWLSCSKDSA-N 1 2 254.337 1.287 20 30 CDEDLO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)N(c1cc(CC#N)cc[nH+]1)C2 ZINC001154711003 937578537 /nfs/dbraw/zinc/57/85/37/937578537.db2.gz YSAQDSWZHYNHRA-IHRRRGAJSA-N 1 2 285.347 1.926 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)c(O)c(C)c2)CC1 ZINC001148555628 932740392 /nfs/dbraw/zinc/74/03/92/932740392.db2.gz LDUPGSYMJVALAG-UHFFFAOYSA-N 1 2 274.364 1.953 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc3ncccc3o2)CC1 ZINC000931344379 933544953 /nfs/dbraw/zinc/54/49/53/933544953.db2.gz LKAUFEDZFAHIJL-UHFFFAOYSA-N 1 2 283.331 1.609 20 30 CDEDLO C=CCC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)[O-] ZINC001119536826 937729402 /nfs/dbraw/zinc/72/94/02/937729402.db2.gz RWBYNOLFTIOXPN-UONOGXRCSA-N 1 2 282.384 1.249 20 30 CDEDLO Cc1cc(N2CC(O)(CC#N)C2)nc(C2CCC2)[nH+]1 ZINC001119953041 937767363 /nfs/dbraw/zinc/76/73/63/937767363.db2.gz JBLAXLQZJRCPIU-UHFFFAOYSA-N 1 2 258.325 1.517 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1occ2c1CCCC2 ZINC001038957368 935764521 /nfs/dbraw/zinc/76/45/21/935764521.db2.gz HNTUJRZMGYBCCX-CYBMUJFWSA-N 1 2 272.348 1.596 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1occ2c1CCCC2 ZINC001038957368 935764524 /nfs/dbraw/zinc/76/45/24/935764524.db2.gz HNTUJRZMGYBCCX-CYBMUJFWSA-N 1 2 272.348 1.596 20 30 CDEDLO C=CCCCC(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122507710 937938292 /nfs/dbraw/zinc/93/82/92/937938292.db2.gz FKKAAFUSYAZRQH-GFCCVEGCSA-N 1 2 278.356 1.030 20 30 CDEDLO N#Cc1c[nH]c2cc[nH+]c(NCCCc3c[nH][nH]c3=O)c12 ZINC001156284397 938346892 /nfs/dbraw/zinc/34/68/92/938346892.db2.gz HWXYHGCSZICGKV-SECBINFHSA-N 1 2 282.307 1.358 20 30 CDEDLO Cc1cccc2c1nc(Cl)nc2N1CC[NH2+]C[C@@H]1C#N ZINC001156320081 938351481 /nfs/dbraw/zinc/35/14/81/938351481.db2.gz PSZARYMJSUVKJU-JTQLQIEISA-N 1 2 287.754 1.893 20 30 CDEDLO N#CCCCCNC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156979470 938442125 /nfs/dbraw/zinc/44/21/25/938442125.db2.gz PPHKQQSPDDNISI-UHFFFAOYSA-N 1 2 257.297 1.569 20 30 CDEDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc2[nH]c(C#N)cc2n1 ZINC001158708173 938654085 /nfs/dbraw/zinc/65/40/85/938654085.db2.gz YCBZBVDXUAKLRU-NSHDSACASA-N 1 2 271.324 1.177 20 30 CDEDLO C[N@H+]1CCOC[C@@H]1CNc1ccc2[nH]c(C#N)cc2n1 ZINC001158708173 938654087 /nfs/dbraw/zinc/65/40/87/938654087.db2.gz YCBZBVDXUAKLRU-NSHDSACASA-N 1 2 271.324 1.177 20 30 CDEDLO Cc1nc([C@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)no1 ZINC001649840002 1169421008 /nfs/dbraw/zinc/42/10/08/1169421008.db2.gz AIAOYEIHEHYNMD-TVQRCGJNSA-N 1 2 272.308 1.634 20 30 CDEDLO C#CCOCCOCCNc1cc(N)cc(Cl)[nH+]1 ZINC001160673828 938812199 /nfs/dbraw/zinc/81/21/99/938812199.db2.gz SIFOQNVIRQBIDM-UHFFFAOYSA-N 1 2 269.732 1.396 20 30 CDEDLO Cc1nc(C#N)c(C#N)nc1NCCCn1cc[nH+]c1 ZINC001161682197 938919730 /nfs/dbraw/zinc/91/97/30/938919730.db2.gz LKEQZEOGXVULFX-UHFFFAOYSA-N 1 2 267.296 1.227 20 30 CDEDLO C[C@@H]1C[N@H+](CCNc2cc(F)ccc2C#N)CCO1 ZINC001162367503 939036186 /nfs/dbraw/zinc/03/61/86/939036186.db2.gz ZFXGBHJXFZQNOH-LLVKDONJSA-N 1 2 263.316 1.830 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNc2cc(F)ccc2C#N)CCO1 ZINC001162367503 939036191 /nfs/dbraw/zinc/03/61/91/939036191.db2.gz ZFXGBHJXFZQNOH-LLVKDONJSA-N 1 2 263.316 1.830 20 30 CDEDLO CCc1cc(C[N@@H+]2CCO[C@H](CO)C2)ccc1C#N ZINC001238762170 945240928 /nfs/dbraw/zinc/24/09/28/945240928.db2.gz AZGCYRSQGCMRQL-HNNXBMFYSA-N 1 2 260.337 1.314 20 30 CDEDLO CCc1cc(C[N@H+]2CCO[C@H](CO)C2)ccc1C#N ZINC001238762170 945240931 /nfs/dbraw/zinc/24/09/31/945240931.db2.gz AZGCYRSQGCMRQL-HNNXBMFYSA-N 1 2 260.337 1.314 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2ccc(CC#N)c(C)c2)C[NH2+]1 ZINC001164308261 939450763 /nfs/dbraw/zinc/45/07/63/939450763.db2.gz CAYCBFHDLBKGGO-KBPBESRZSA-N 1 2 273.336 1.377 20 30 CDEDLO N#Cc1cnc(Cl)nc1N1CC[NH2+]CC(F)(F)C1 ZINC001164489002 939478611 /nfs/dbraw/zinc/47/86/11/939478611.db2.gz VNSQIXLMTNCNCJ-UHFFFAOYSA-N 1 2 273.674 1.047 20 30 CDEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ncc[nH]1)C2 ZINC001203974730 939717315 /nfs/dbraw/zinc/71/73/15/939717315.db2.gz KTAUZGULILKXMJ-HIFRSBDPSA-N 1 2 277.368 1.736 20 30 CDEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ncc[nH]1)C2 ZINC001203974730 939717317 /nfs/dbraw/zinc/71/73/17/939717317.db2.gz KTAUZGULILKXMJ-HIFRSBDPSA-N 1 2 277.368 1.736 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cnoc2)C1 ZINC001205762586 939933684 /nfs/dbraw/zinc/93/36/84/939933684.db2.gz PBEXIRXXRSTUFR-GFCCVEGCSA-N 1 2 265.313 1.551 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cnoc2)C1 ZINC001205762586 939933687 /nfs/dbraw/zinc/93/36/87/939933687.db2.gz PBEXIRXXRSTUFR-GFCCVEGCSA-N 1 2 265.313 1.551 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cnc(C)n2C)C1 ZINC001206796591 940093080 /nfs/dbraw/zinc/09/30/80/940093080.db2.gz CUEVXEKYFFQJSC-CYBMUJFWSA-N 1 2 292.383 1.605 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cnc(C)n2C)C1 ZINC001206796591 940093081 /nfs/dbraw/zinc/09/30/81/940093081.db2.gz CUEVXEKYFFQJSC-CYBMUJFWSA-N 1 2 292.383 1.605 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1C ZINC001206913638 940110800 /nfs/dbraw/zinc/11/08/00/940110800.db2.gz SIAKZXJTUOTGBS-DGCLKSJQSA-N 1 2 292.408 1.278 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1C ZINC001206913638 940110802 /nfs/dbraw/zinc/11/08/02/940110802.db2.gz SIAKZXJTUOTGBS-DGCLKSJQSA-N 1 2 292.408 1.278 20 30 CDEDLO Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC3CC3)C2)no1 ZINC001206947312 940116343 /nfs/dbraw/zinc/11/63/43/940116343.db2.gz OHFOVNHIOMKYFY-IAQYHMDHSA-N 1 2 287.363 1.333 20 30 CDEDLO Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC3CC3)C2)no1 ZINC001206947312 940116348 /nfs/dbraw/zinc/11/63/48/940116348.db2.gz OHFOVNHIOMKYFY-IAQYHMDHSA-N 1 2 287.363 1.333 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1C ZINC001208452396 940332245 /nfs/dbraw/zinc/33/22/45/940332245.db2.gz JOAKEJOLFBLYDU-TZMCWYRMSA-N 1 2 291.399 1.108 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1C ZINC001208452396 940332248 /nfs/dbraw/zinc/33/22/48/940332248.db2.gz JOAKEJOLFBLYDU-TZMCWYRMSA-N 1 2 291.399 1.108 20 30 CDEDLO COC(=O)[C@@H](C)C[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001208725099 940377661 /nfs/dbraw/zinc/37/76/61/940377661.db2.gz KOZCGQPCGJZBBH-NSHDSACASA-N 1 2 274.320 1.430 20 30 CDEDLO C=CCN(CC[N@@H+]1C[C@H](F)C[C@H]1CO)C(=O)OCC ZINC001209015809 940423532 /nfs/dbraw/zinc/42/35/32/940423532.db2.gz AGTAZICVISJALN-NEPJUHHUSA-N 1 2 274.336 1.036 20 30 CDEDLO C=CCN(CC[N@H+]1C[C@H](F)C[C@H]1CO)C(=O)OCC ZINC001209015809 940423535 /nfs/dbraw/zinc/42/35/35/940423535.db2.gz AGTAZICVISJALN-NEPJUHHUSA-N 1 2 274.336 1.036 20 30 CDEDLO COCCCn1cc([NH+]=C(NO)c2ccccc2N)cn1 ZINC001210423642 940690154 /nfs/dbraw/zinc/69/01/54/940690154.db2.gz MOKJQEBTERRXAS-UHFFFAOYSA-N 1 2 289.339 1.559 20 30 CDEDLO C#Cc1cc(Nc2cnc(OC(C)C)nc2)cc[nH+]1 ZINC001216617271 940954921 /nfs/dbraw/zinc/95/49/21/940954921.db2.gz FOLUGBIJSNVBIU-UHFFFAOYSA-N 1 2 254.293 1.806 20 30 CDEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)[C@@H]1COCC[NH2+]1 ZINC001218558348 941236426 /nfs/dbraw/zinc/23/64/26/941236426.db2.gz DQGRZJYCRADGOJ-NSHDSACASA-N 1 2 276.340 1.042 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)OCC)[C@@H]2C1 ZINC001221304698 941514823 /nfs/dbraw/zinc/51/48/23/941514823.db2.gz HJSUGFKXNAPXOP-YNEHKIRRSA-N 1 2 286.803 1.697 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)OCC)[C@@H]2C1 ZINC001221304698 941514824 /nfs/dbraw/zinc/51/48/24/941514824.db2.gz HJSUGFKXNAPXOP-YNEHKIRRSA-N 1 2 286.803 1.697 20 30 CDEDLO Cn1c[nH+]cc1COC1CCN(c2cc(C#N)ccn2)CC1 ZINC001222599821 941618696 /nfs/dbraw/zinc/61/86/96/941618696.db2.gz GKCGZJSPSLRXGW-UHFFFAOYSA-N 1 2 297.362 1.872 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc(C#N)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225223113 941830973 /nfs/dbraw/zinc/83/09/73/941830973.db2.gz FYFBBTGVNUSCIG-ABWMFPBJSA-N 1 2 256.305 1.549 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc(C#N)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225223113 941830977 /nfs/dbraw/zinc/83/09/77/941830977.db2.gz FYFBBTGVNUSCIG-ABWMFPBJSA-N 1 2 256.305 1.549 20 30 CDEDLO N#CC1(NC(=O)[C@]23C[C@H]2CC[N@@H+]3Cc2ccc[nH]2)CCC1 ZINC001277030595 941838154 /nfs/dbraw/zinc/83/81/54/941838154.db2.gz ZOOHYSYKLYQGBG-WBMJQRKESA-N 1 2 284.363 1.542 20 30 CDEDLO N#CC1(NC(=O)[C@]23C[C@H]2CC[N@H+]3Cc2ccc[nH]2)CCC1 ZINC001277030595 941838156 /nfs/dbraw/zinc/83/81/56/941838156.db2.gz ZOOHYSYKLYQGBG-WBMJQRKESA-N 1 2 284.363 1.542 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4cccc(O)c4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225590495 941885495 /nfs/dbraw/zinc/88/54/95/941885495.db2.gz PXVOWFGECTUUCZ-GYZAEQSUSA-N 1 2 298.342 1.932 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4cccc(O)c4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225590495 941885498 /nfs/dbraw/zinc/88/54/98/941885498.db2.gz PXVOWFGECTUUCZ-GYZAEQSUSA-N 1 2 298.342 1.932 20 30 CDEDLO N#CC1(NC(=O)[C@@]23C[C@@H]2CC[N@@H+]3Cc2cccnc2)CCC1 ZINC001277079882 941921972 /nfs/dbraw/zinc/92/19/72/941921972.db2.gz BXRHDPULVOOGRN-WMLDXEAASA-N 1 2 296.374 1.608 20 30 CDEDLO N#CC1(NC(=O)[C@@]23C[C@@H]2CC[N@H+]3Cc2cccnc2)CCC1 ZINC001277079882 941921974 /nfs/dbraw/zinc/92/19/74/941921974.db2.gz BXRHDPULVOOGRN-WMLDXEAASA-N 1 2 296.374 1.608 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc(F)c3C#N)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225973662 941935391 /nfs/dbraw/zinc/93/53/91/941935391.db2.gz NKFXUFRBDDRGFO-QCRWRKDUSA-N 1 2 274.295 1.689 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc(F)c3C#N)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225973662 941935395 /nfs/dbraw/zinc/93/53/95/941935395.db2.gz NKFXUFRBDDRGFO-QCRWRKDUSA-N 1 2 274.295 1.689 20 30 CDEDLO C[C@H](C#N)C(=O)NC1CC[NH+](Cc2nccs2)CC1 ZINC001226618064 942037067 /nfs/dbraw/zinc/03/70/67/942037067.db2.gz WPTUGBKEUOYDMZ-SNVBAGLBSA-N 1 2 278.381 1.383 20 30 CDEDLO CC(C)C#CC(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001227244063 942156064 /nfs/dbraw/zinc/15/60/64/942156064.db2.gz HFDNSNUDLICLQD-UHFFFAOYSA-N 1 2 288.395 1.160 20 30 CDEDLO CCCCCCC[N@@H+]1Cc2ccnn2CC[C@@H]1C(N)=O ZINC001277225706 942197473 /nfs/dbraw/zinc/19/74/73/942197473.db2.gz YERQKBYIQLUCEM-CQSZACIVSA-N 1 2 278.400 1.913 20 30 CDEDLO CCCCCCC[N@H+]1Cc2ccnn2CC[C@@H]1C(N)=O ZINC001277225706 942197475 /nfs/dbraw/zinc/19/74/75/942197475.db2.gz YERQKBYIQLUCEM-CQSZACIVSA-N 1 2 278.400 1.913 20 30 CDEDLO Cc1[nH]ncc1C[NH2+]C12CC(C(=O)NC3(C#N)CCC3)(C1)C2 ZINC001277230249 942200832 /nfs/dbraw/zinc/20/08/32/942200832.db2.gz DYOAJPPXIIJVSC-UHFFFAOYSA-N 1 2 299.378 1.293 20 30 CDEDLO Cc1[nH]c2ccc(O[C@H]3CCN(CC#N)C3)cc2[nH+]1 ZINC001228328629 942299656 /nfs/dbraw/zinc/29/96/56/942299656.db2.gz HNWFYYBPYGXJLM-LBPRGKRZSA-N 1 2 256.309 1.848 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2ncnc3c(C#N)cccc23)C1 ZINC001231041116 942763743 /nfs/dbraw/zinc/76/37/43/942763743.db2.gz QBMQECVAYHWORF-GFCCVEGCSA-N 1 2 284.319 1.211 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2ncnc3c(C#N)cccc23)C1 ZINC001231041116 942763745 /nfs/dbraw/zinc/76/37/45/942763745.db2.gz QBMQECVAYHWORF-GFCCVEGCSA-N 1 2 284.319 1.211 20 30 CDEDLO C#Cc1cccc(C[NH+]2CC(N3CCOC(C)(C)C3)C2)c1 ZINC001231662869 942964656 /nfs/dbraw/zinc/96/46/56/942964656.db2.gz KIHYAAOIGSMWQG-UHFFFAOYSA-N 1 2 284.403 1.963 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2C[C@H](F)C[C@@H](CO)C2)c1 ZINC001232674185 943356918 /nfs/dbraw/zinc/35/69/18/943356918.db2.gz SPTXVKZBAXQPMF-DGCLKSJQSA-N 1 2 264.300 1.416 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)c1 ZINC001232674185 943356922 /nfs/dbraw/zinc/35/69/22/943356922.db2.gz SPTXVKZBAXQPMF-DGCLKSJQSA-N 1 2 264.300 1.416 20 30 CDEDLO CC(C)(O)c1ccc(C[NH+]2CCN(CCC#N)CC2)cn1 ZINC001232829938 943409764 /nfs/dbraw/zinc/40/97/64/943409764.db2.gz RSKDUFIOHNBYNA-UHFFFAOYSA-N 1 2 288.395 1.340 20 30 CDEDLO CC[N@H+](CCN1CCOCC1)Cc1cc(F)ccc1C#N ZINC001232893186 943428199 /nfs/dbraw/zinc/42/81/99/943428199.db2.gz QOFJSAGKMXUDOB-UHFFFAOYSA-N 1 2 291.370 1.851 20 30 CDEDLO CC[N@@H+](CCN1CCOCC1)Cc1cc(F)ccc1C#N ZINC001232893186 943428200 /nfs/dbraw/zinc/42/82/00/943428200.db2.gz QOFJSAGKMXUDOB-UHFFFAOYSA-N 1 2 291.370 1.851 20 30 CDEDLO Cc1ccnc([N+](=O)[O-])c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001233555506 943615889 /nfs/dbraw/zinc/61/58/89/943615889.db2.gz HVNAXXZBZQTZQU-NJFCNUMCSA-N 1 2 291.307 1.289 20 30 CDEDLO Cc1ccnc([N+](=O)[O-])c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001233555506 943615891 /nfs/dbraw/zinc/61/58/91/943615891.db2.gz HVNAXXZBZQTZQU-NJFCNUMCSA-N 1 2 291.307 1.289 20 30 CDEDLO C#CCO[C@H](C)C(=O)OCCc1cn2c([nH+]1)CCCC2 ZINC001263500631 943876049 /nfs/dbraw/zinc/87/60/49/943876049.db2.gz PYIYQALPBKPKAT-GFCCVEGCSA-N 1 2 276.336 1.343 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NC1CC1 ZINC001234604300 943911922 /nfs/dbraw/zinc/91/19/22/943911922.db2.gz NQLSYUBCIPTULX-AWEZNQCLSA-N 1 2 293.411 1.154 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NC1CC1 ZINC001234604300 943911926 /nfs/dbraw/zinc/91/19/26/943911926.db2.gz NQLSYUBCIPTULX-AWEZNQCLSA-N 1 2 293.411 1.154 20 30 CDEDLO C[N@H+](CCC#N)Cc1cccc(N2CCOCC2)c1 ZINC001235073632 944043002 /nfs/dbraw/zinc/04/30/02/944043002.db2.gz BYNGMLSUXHPPDE-UHFFFAOYSA-N 1 2 259.353 1.869 20 30 CDEDLO C[N@@H+](CCC#N)Cc1cccc(N2CCOCC2)c1 ZINC001235073632 944043006 /nfs/dbraw/zinc/04/30/06/944043006.db2.gz BYNGMLSUXHPPDE-UHFFFAOYSA-N 1 2 259.353 1.869 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCCC[N@H+](C)Cc1ccon1 ZINC001235231258 944100729 /nfs/dbraw/zinc/10/07/29/944100729.db2.gz WNXWDZPQPWBINO-ZDUSSCGKSA-N 1 2 295.383 1.594 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCCC[N@@H+](C)Cc1ccon1 ZINC001235231258 944100737 /nfs/dbraw/zinc/10/07/37/944100737.db2.gz WNXWDZPQPWBINO-ZDUSSCGKSA-N 1 2 295.383 1.594 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1nccn1CC ZINC001235480925 944169649 /nfs/dbraw/zinc/16/96/49/944169649.db2.gz PHZCQTVNYVPAPI-UHFFFAOYSA-N 1 2 278.400 1.807 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1nccn1CC ZINC001235480925 944169652 /nfs/dbraw/zinc/16/96/52/944169652.db2.gz PHZCQTVNYVPAPI-UHFFFAOYSA-N 1 2 278.400 1.807 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)Nc1nc(Cl)c(C#N)s1 ZINC001476723661 971145006 /nfs/dbraw/zinc/14/50/06/971145006.db2.gz GQYJPHVGGORKKK-UHFFFAOYSA-N 1 2 296.743 1.723 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CCc2ncnc(OC)c2CC1 ZINC001255170223 947762655 /nfs/dbraw/zinc/76/26/55/947762655.db2.gz PJFSLKMMCHJOLF-LLVKDONJSA-N 1 2 260.341 1.578 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CCc2ncnc(OC)c2CC1 ZINC001255170223 947762660 /nfs/dbraw/zinc/76/26/60/947762660.db2.gz PJFSLKMMCHJOLF-LLVKDONJSA-N 1 2 260.341 1.578 20 30 CDEDLO CC[C@H](C)c1nn(C)cc1C[NH+]1CCN(CCC#N)CC1 ZINC001249407701 949569675 /nfs/dbraw/zinc/56/96/75/949569675.db2.gz NTQYFEWPRKQGBT-AWEZNQCLSA-N 1 2 289.427 1.965 20 30 CDEDLO CCCCCCCNC(=S)N[C@H]1CC[N@@H+](C2COC2)C1 ZINC001249646649 949727509 /nfs/dbraw/zinc/72/75/09/949727509.db2.gz AZEPUPSQHQZMGP-ZDUSSCGKSA-N 1 2 299.484 1.894 20 30 CDEDLO CCCCCCCNC(=S)N[C@H]1CC[N@H+](C2COC2)C1 ZINC001249646649 949727524 /nfs/dbraw/zinc/72/75/24/949727524.db2.gz AZEPUPSQHQZMGP-ZDUSSCGKSA-N 1 2 299.484 1.894 20 30 CDEDLO C=C[C@](C)(O)C[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC001252554148 951442573 /nfs/dbraw/zinc/44/25/73/951442573.db2.gz CAFXMHKUPGWPFY-HNNXBMFYSA-N 1 2 260.337 1.272 20 30 CDEDLO C=C[C@](C)(O)C[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC001252554148 951442577 /nfs/dbraw/zinc/44/25/77/951442577.db2.gz CAFXMHKUPGWPFY-HNNXBMFYSA-N 1 2 260.337 1.272 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001252594192 951487600 /nfs/dbraw/zinc/48/76/00/951487600.db2.gz UIFPXUBXGKVEFK-AXFHLTTASA-N 1 2 285.281 1.651 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001252594192 951487608 /nfs/dbraw/zinc/48/76/08/951487608.db2.gz UIFPXUBXGKVEFK-AXFHLTTASA-N 1 2 285.281 1.651 20 30 CDEDLO C=CCCCCCC[C@@H](O)C[N@@H+]1CCO[C@@H](C(=O)OC)C1 ZINC001253234330 951822105 /nfs/dbraw/zinc/82/21/05/951822105.db2.gz ZCXQCSOTTFWWMK-HUUCEWRRSA-N 1 2 299.411 1.748 20 30 CDEDLO C=CCCCCCC[C@@H](O)C[N@H+]1CCO[C@@H](C(=O)OC)C1 ZINC001253234330 951822113 /nfs/dbraw/zinc/82/21/13/951822113.db2.gz ZCXQCSOTTFWWMK-HUUCEWRRSA-N 1 2 299.411 1.748 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001493019587 971925698 /nfs/dbraw/zinc/92/56/98/971925698.db2.gz NBDKNSCXFYMFHJ-UPJWGTAASA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001493019587 971925704 /nfs/dbraw/zinc/92/57/04/971925704.db2.gz NBDKNSCXFYMFHJ-UPJWGTAASA-N 1 2 286.803 1.745 20 30 CDEDLO CCc1[nH]c(CNC(=O)c2cccc(F)c2C#N)c[nH+]1 ZINC001363629121 953571484 /nfs/dbraw/zinc/57/14/84/953571484.db2.gz JWRBCFSFHJJHHJ-UHFFFAOYSA-N 1 2 272.283 1.913 20 30 CDEDLO CCc1[nH]cc(CNC(=O)c2cccc(F)c2C#N)[nH+]1 ZINC001363629121 953571491 /nfs/dbraw/zinc/57/14/91/953571491.db2.gz JWRBCFSFHJJHHJ-UHFFFAOYSA-N 1 2 272.283 1.913 20 30 CDEDLO Cc1n[nH]c(C(F)F)c1NC(=O)[C@H]([NH3+])CCCC#N ZINC001325763498 954064699 /nfs/dbraw/zinc/06/46/99/954064699.db2.gz JERDRHOQQYSFRU-SSDOTTSWSA-N 1 2 271.271 1.615 20 30 CDEDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc(C#N)ccn1)C[C@@H](C)O2 ZINC001363233996 972005872 /nfs/dbraw/zinc/00/58/72/972005872.db2.gz MSHFDAPWVJKIQG-XJKCOSOUSA-N 1 2 287.363 1.722 20 30 CDEDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc(C#N)ccn1)C[C@@H](C)O2 ZINC001363233996 972005877 /nfs/dbraw/zinc/00/58/77/972005877.db2.gz MSHFDAPWVJKIQG-XJKCOSOUSA-N 1 2 287.363 1.722 20 30 CDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](c2ncccn2)C1 ZINC001308115821 956471092 /nfs/dbraw/zinc/47/10/92/956471092.db2.gz YROSIABPJCHWQX-NWDGAFQWSA-N 1 2 261.325 1.384 20 30 CDEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@H](c2ncccn2)C1 ZINC001308115821 956471097 /nfs/dbraw/zinc/47/10/97/956471097.db2.gz YROSIABPJCHWQX-NWDGAFQWSA-N 1 2 261.325 1.384 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2cc(C)on2)C1 ZINC001425236771 957496488 /nfs/dbraw/zinc/49/64/88/957496488.db2.gz RFZCRSQSMMMOOE-NSHDSACASA-N 1 2 297.786 1.715 20 30 CDEDLO C=CC[C@H]1NC(=O)N(Cc2ccccc2-n2cc[nH+]c2)C1=O ZINC001332375759 957539329 /nfs/dbraw/zinc/53/93/29/957539329.db2.gz RNMXGGNXYCIELS-CYBMUJFWSA-N 1 2 296.330 1.869 20 30 CDEDLO C=C[C@@H](COC)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC001320426067 959165457 /nfs/dbraw/zinc/16/54/57/959165457.db2.gz HCEYCWWJWVDHQM-LBPRGKRZSA-N 1 2 266.345 1.116 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)Nc1cccc(OCC#N)c1 ZINC001433617872 960457477 /nfs/dbraw/zinc/45/74/77/960457477.db2.gz WKKYWPMTLVDLTA-UHFFFAOYSA-N 1 2 270.292 1.802 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](CC#N)C1 ZINC001434172816 961056434 /nfs/dbraw/zinc/05/64/34/961056434.db2.gz NMXGDDUGEFBYAQ-JHJVBQTASA-N 1 2 272.352 1.676 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cn1nccc1C ZINC001420019882 962380355 /nfs/dbraw/zinc/38/03/55/962380355.db2.gz OFYATLXTPRNVLR-UHFFFAOYSA-N 1 2 284.791 1.334 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cn1nccc1C ZINC001420019882 962380373 /nfs/dbraw/zinc/38/03/73/962380373.db2.gz OFYATLXTPRNVLR-UHFFFAOYSA-N 1 2 284.791 1.334 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C1(CCOC)CC1 ZINC001420579213 963046236 /nfs/dbraw/zinc/04/62/36/963046236.db2.gz BBBBOBIZNPGMOD-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C1(CCOC)CC1 ZINC001420579213 963046248 /nfs/dbraw/zinc/04/62/48/963046248.db2.gz BBBBOBIZNPGMOD-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO Cn1c[nH+]cc1C1CCN(C(=O)NCCCC#N)CC1 ZINC001340825017 963145474 /nfs/dbraw/zinc/14/54/74/963145474.db2.gz VYOCFOZXCBBCCI-UHFFFAOYSA-N 1 2 275.356 1.613 20 30 CDEDLO C=C(C)CN(C)c1nnc(Cc2[nH+]ccn2C)n1C ZINC001341249466 963335292 /nfs/dbraw/zinc/33/52/92/963335292.db2.gz QBNBKEHXLFFQMU-UHFFFAOYSA-N 1 2 260.345 1.152 20 30 CDEDLO CC(C)[N@@H+]1CCC[C@H]1C(=O)[C@@H](C#N)C(=O)N1CCCC1 ZINC001342021061 963612143 /nfs/dbraw/zinc/61/21/43/963612143.db2.gz NLSIRQHRHVEHGT-OLZOCXBDSA-N 1 2 277.368 1.190 20 30 CDEDLO CC(C)[N@H+]1CCC[C@H]1C(=O)[C@@H](C#N)C(=O)N1CCCC1 ZINC001342021061 963612147 /nfs/dbraw/zinc/61/21/47/963612147.db2.gz NLSIRQHRHVEHGT-OLZOCXBDSA-N 1 2 277.368 1.190 20 30 CDEDLO Cn1nccc1C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001442382427 965023730 /nfs/dbraw/zinc/02/37/30/965023730.db2.gz SKAGONXMJQIWEL-UHFFFAOYSA-N 1 2 297.362 1.154 20 30 CDEDLO Cn1nccc1C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001442382427 965023740 /nfs/dbraw/zinc/02/37/40/965023740.db2.gz SKAGONXMJQIWEL-UHFFFAOYSA-N 1 2 297.362 1.154 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H](C)OCC)C1CC1 ZINC001442979863 965302399 /nfs/dbraw/zinc/30/23/99/965302399.db2.gz GNMQGNZIOPRMNQ-LLVKDONJSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H](C)OCC)C1CC1 ZINC001442979863 965302410 /nfs/dbraw/zinc/30/24/10/965302410.db2.gz GNMQGNZIOPRMNQ-LLVKDONJSA-N 1 2 274.792 1.745 20 30 CDEDLO N#Cc1ccc(C(=O)NCCn2cc[nH+]c2)c(F)c1 ZINC001540772051 967169866 /nfs/dbraw/zinc/16/98/66/967169866.db2.gz IUDPPFGHTJWGES-UHFFFAOYSA-N 1 2 258.256 1.324 20 30 CDEDLO C=CCNC(=S)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001200302241 967889799 /nfs/dbraw/zinc/88/97/99/967889799.db2.gz HOTFRPIOCUUKTL-LBPRGKRZSA-N 1 2 276.409 1.701 20 30 CDEDLO C=CCNC(=S)NCc1c[nH+]cn1CC1CC1 ZINC001200304084 967900600 /nfs/dbraw/zinc/90/06/00/967900600.db2.gz OLBHWEAHGJVDSX-UHFFFAOYSA-N 1 2 250.371 1.443 20 30 CDEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)CCOC ZINC001355930377 969298349 /nfs/dbraw/zinc/29/83/49/969298349.db2.gz VHOLOJRUUSPCLF-ZDUSSCGKSA-N 1 2 293.415 1.704 20 30 CDEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)CCOC ZINC001355930377 969298355 /nfs/dbraw/zinc/29/83/55/969298355.db2.gz VHOLOJRUUSPCLF-ZDUSSCGKSA-N 1 2 293.415 1.704 20 30 CDEDLO CC(C)N(CCC#N)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001464573648 969797402 /nfs/dbraw/zinc/79/74/02/969797402.db2.gz OWCNMKLZPDXUMK-LBPRGKRZSA-N 1 2 260.341 1.596 20 30 CDEDLO CC[C@@H](C(=O)N(CC)C[C@@H](C)C#N)[N@@H+]1CCO[C@H](CC)C1 ZINC001361851869 970605073 /nfs/dbraw/zinc/60/50/73/970605073.db2.gz BMRUHIQBDVWGJS-ZNMIVQPWSA-N 1 2 295.427 1.884 20 30 CDEDLO CC[C@@H](C(=O)N(CC)C[C@@H](C)C#N)[N@H+]1CCO[C@H](CC)C1 ZINC001361851869 970605078 /nfs/dbraw/zinc/60/50/78/970605078.db2.gz BMRUHIQBDVWGJS-ZNMIVQPWSA-N 1 2 295.427 1.884 20 30 CDEDLO Cn1ccc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)n1 ZINC001372222724 972854602 /nfs/dbraw/zinc/85/46/02/972854602.db2.gz WEWCQKPSUZRFRB-UHFFFAOYSA-N 1 2 297.362 1.154 20 30 CDEDLO Cn1ccc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)n1 ZINC001372222724 972854610 /nfs/dbraw/zinc/85/46/10/972854610.db2.gz WEWCQKPSUZRFRB-UHFFFAOYSA-N 1 2 297.362 1.154 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc(C)on1 ZINC001377288517 974958794 /nfs/dbraw/zinc/95/87/94/974958794.db2.gz PKAYIPQOKLMTFF-UHFFFAOYSA-N 1 2 271.748 1.787 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc(C)on1 ZINC001377288517 974958798 /nfs/dbraw/zinc/95/87/98/974958798.db2.gz PKAYIPQOKLMTFF-UHFFFAOYSA-N 1 2 271.748 1.787 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C[C@H]1COC(=O)C1 ZINC001492932893 975419744 /nfs/dbraw/zinc/41/97/44/975419744.db2.gz DABDGFYOAXPTLK-LLVKDONJSA-N 1 2 288.775 1.130 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C[C@H]1COC(=O)C1 ZINC001492932893 975419752 /nfs/dbraw/zinc/41/97/52/975419752.db2.gz DABDGFYOAXPTLK-LLVKDONJSA-N 1 2 288.775 1.130 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1c(C)nn(C)c1C ZINC001379082978 975648312 /nfs/dbraw/zinc/64/83/12/975648312.db2.gz IMWWYUWSIJLWMQ-UHFFFAOYSA-N 1 2 298.818 1.793 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1c(C)nn(C)c1C ZINC001379082978 975648317 /nfs/dbraw/zinc/64/83/17/975648317.db2.gz IMWWYUWSIJLWMQ-UHFFFAOYSA-N 1 2 298.818 1.793 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)COCC)[C@@H]1C ZINC001379633175 975972382 /nfs/dbraw/zinc/97/23/82/975972382.db2.gz YRKARHFKMXXCKQ-NWDGAFQWSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)COCC)[C@@H]1C ZINC001379633175 975972392 /nfs/dbraw/zinc/97/23/92/975972392.db2.gz YRKARHFKMXXCKQ-NWDGAFQWSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCc1cnccn1 ZINC001379777187 976067535 /nfs/dbraw/zinc/06/75/35/976067535.db2.gz WZTFNPOCXZANDD-LBPRGKRZSA-N 1 2 296.802 1.598 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCc1cnccn1 ZINC001379777187 976067546 /nfs/dbraw/zinc/06/75/46/976067546.db2.gz WZTFNPOCXZANDD-LBPRGKRZSA-N 1 2 296.802 1.598 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001132565691 1163374969 /nfs/dbraw/zinc/37/49/69/1163374969.db2.gz YHTFWVNKXBLMII-QWRGUYRKSA-N 1 2 292.383 1.611 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nc(C(C)C)no1 ZINC001132569845 1163378108 /nfs/dbraw/zinc/37/81/08/1163378108.db2.gz ZRIPWBZPKHZPLV-NWDGAFQWSA-N 1 2 294.399 1.857 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001133378631 1163662921 /nfs/dbraw/zinc/66/29/21/1163662921.db2.gz IYHOGAHGICFMPG-CQSZACIVSA-N 1 2 265.357 1.791 20 30 CDEDLO C=CC[C@H](Nc1cc(-n2ccnc2)cc[nH+]1)C(=O)OC ZINC001158862647 1163706524 /nfs/dbraw/zinc/70/65/24/1163706524.db2.gz NJKLVNSVBQQPMH-LBPRGKRZSA-N 1 2 272.308 1.797 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[NH2+][C@@H](C)c2nnc(C)o2)C1 ZINC001133565870 1163788085 /nfs/dbraw/zinc/78/80/85/1163788085.db2.gz MKRPNARCBCNDLB-JTQLQIEISA-N 1 2 278.356 1.501 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[NH2+][C@@H](C)c2nc(C)no2)C1 ZINC001133571467 1163791744 /nfs/dbraw/zinc/79/17/44/1163791744.db2.gz SHKIIIWWXRADPE-JTQLQIEISA-N 1 2 278.356 1.501 20 30 CDEDLO C=C(C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1c[nH]nn1 ZINC001575049295 1171096332 /nfs/dbraw/zinc/09/63/32/1171096332.db2.gz JWOLVEBGKWBBLJ-OCCSQVGLSA-N 1 2 291.399 1.536 20 30 CDEDLO C=C(C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cn[nH]n1 ZINC001575049295 1171096342 /nfs/dbraw/zinc/09/63/42/1171096342.db2.gz JWOLVEBGKWBBLJ-OCCSQVGLSA-N 1 2 291.399 1.536 20 30 CDEDLO N#Cc1cc(O)cc(C(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000589180768 342499768 /nfs/dbraw/zinc/49/97/68/342499768.db2.gz HLQSNPIBMITHLE-UHFFFAOYSA-N 1 2 268.276 1.157 20 30 CDEDLO C[C@H](CNC(=O)c1cccc(C#N)n1)Cn1cc[nH+]c1 ZINC000589838959 342514876 /nfs/dbraw/zinc/51/48/76/342514876.db2.gz AYIFCCKBCZRJPA-LLVKDONJSA-N 1 2 269.308 1.216 20 30 CDEDLO Cn1nccc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000590012375 342520117 /nfs/dbraw/zinc/52/01/17/342520117.db2.gz FPVUTQOPPYUXFB-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO C=C(C)C[NH+]1CCC(Nc2cc[nH+]c(C(=O)[O-])c2)CC1 ZINC000650766675 398189743 /nfs/dbraw/zinc/18/97/43/398189743.db2.gz SMQVUZVGINHODW-UHFFFAOYSA-N 1 2 275.352 1.654 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000590973353 342612544 /nfs/dbraw/zinc/61/25/44/342612544.db2.gz WSNLIVZUYBXMON-QWRGUYRKSA-N 1 2 271.357 1.624 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000590973353 342612545 /nfs/dbraw/zinc/61/25/45/342612545.db2.gz WSNLIVZUYBXMON-QWRGUYRKSA-N 1 2 271.357 1.624 20 30 CDEDLO C[C@H](CNC(=O)CCCCCC#N)[NH+]1CCN(C)CC1 ZINC000588371113 342111514 /nfs/dbraw/zinc/11/15/14/342111514.db2.gz FEVDMULLFIBBJI-CQSZACIVSA-N 1 2 280.416 1.213 20 30 CDEDLO CCc1ccccc1NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592144823 342672859 /nfs/dbraw/zinc/67/28/59/342672859.db2.gz JJXVZGKVSWHLOM-INIZCTEOSA-N 1 2 287.363 1.538 20 30 CDEDLO CCc1ccccc1NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592144823 342672860 /nfs/dbraw/zinc/67/28/60/342672860.db2.gz JJXVZGKVSWHLOM-INIZCTEOSA-N 1 2 287.363 1.538 20 30 CDEDLO N#CC[C@]1(O)CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000591972405 342660785 /nfs/dbraw/zinc/66/07/85/342660785.db2.gz CDRWODXXUOSFLZ-HNNXBMFYSA-N 1 2 298.302 1.998 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000592147453 342667851 /nfs/dbraw/zinc/66/78/51/342667851.db2.gz MAVKJNBWZGXZTE-ZDUSSCGKSA-N 1 2 290.348 1.649 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000592147453 342667852 /nfs/dbraw/zinc/66/78/52/342667852.db2.gz MAVKJNBWZGXZTE-ZDUSSCGKSA-N 1 2 290.348 1.649 20 30 CDEDLO CC(C)CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147598 342668031 /nfs/dbraw/zinc/66/80/31/342668031.db2.gz MMHCRWOEYKPIEZ-ZBFHGGJFSA-N 1 2 295.427 1.668 20 30 CDEDLO CC(C)CCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147598 342668032 /nfs/dbraw/zinc/66/80/32/342668032.db2.gz MMHCRWOEYKPIEZ-ZBFHGGJFSA-N 1 2 295.427 1.668 20 30 CDEDLO C[C@H](CC(=O)N[C@]1(C#N)CCSC1)n1cc[nH+]c1 ZINC000593096790 342765792 /nfs/dbraw/zinc/76/57/92/342765792.db2.gz ZGHXHLSNAQYRQR-PWSUYJOCSA-N 1 2 264.354 1.350 20 30 CDEDLO CC[C@H](C#N)C(=O)NCCCCNc1cccc[nH+]1 ZINC000593450043 342801884 /nfs/dbraw/zinc/80/18/84/342801884.db2.gz FFRPBAGAFMPPQY-GFCCVEGCSA-N 1 2 260.341 1.940 20 30 CDEDLO C[NH+](C)Cc1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1 ZINC000101638793 282147293 /nfs/dbraw/zinc/14/72/93/282147293.db2.gz VBAWDKSNDJWFMH-UHFFFAOYSA-N 1 2 294.318 1.467 20 30 CDEDLO N#Cc1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)nc1N ZINC000594568685 342919243 /nfs/dbraw/zinc/91/92/43/342919243.db2.gz IWWKYYRVKNBXNZ-LBPRGKRZSA-N 1 2 280.335 1.043 20 30 CDEDLO Cc1ccc(C[NH+]2CCN([C@@H]3CCOC3)CC2)cc1C#N ZINC000599339877 344012967 /nfs/dbraw/zinc/01/29/67/344012967.db2.gz NXBXTJKRHNZGKQ-QGZVFWFLSA-N 1 2 285.391 1.773 20 30 CDEDLO CC[C@@]1(C)C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000347083885 529532386 /nfs/dbraw/zinc/53/23/86/529532386.db2.gz ZRDUYSLZEYTISK-OCCSQVGLSA-N 1 2 279.384 1.438 20 30 CDEDLO CC[C@@]1(C)C[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000347083885 529532388 /nfs/dbraw/zinc/53/23/88/529532388.db2.gz ZRDUYSLZEYTISK-OCCSQVGLSA-N 1 2 279.384 1.438 20 30 CDEDLO CC[C@H](C(=O)N(C)CC(C)(C)C#N)[N@@H+]1CCO[C@@H](CC)C1 ZINC000353230624 529589510 /nfs/dbraw/zinc/58/95/10/529589510.db2.gz GBPCCAXTLCLHEN-UONOGXRCSA-N 1 2 295.427 1.884 20 30 CDEDLO CC[C@H](C(=O)N(C)CC(C)(C)C#N)[N@H+]1CCO[C@@H](CC)C1 ZINC000353230624 529589511 /nfs/dbraw/zinc/58/95/11/529589511.db2.gz GBPCCAXTLCLHEN-UONOGXRCSA-N 1 2 295.427 1.884 20 30 CDEDLO CC[N@@H+](Cc1ccc(S(=O)(=O)NC)cc1)C[C@@H](C)C#N ZINC000595302570 343018627 /nfs/dbraw/zinc/01/86/27/343018627.db2.gz IQNAWCNTKHNHLG-LBPRGKRZSA-N 1 2 295.408 1.576 20 30 CDEDLO CC[N@H+](Cc1ccc(S(=O)(=O)NC)cc1)C[C@@H](C)C#N ZINC000595302570 343018628 /nfs/dbraw/zinc/01/86/28/343018628.db2.gz IQNAWCNTKHNHLG-LBPRGKRZSA-N 1 2 295.408 1.576 20 30 CDEDLO CC[C@H](C(N)=O)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595633536 343111798 /nfs/dbraw/zinc/11/17/98/343111798.db2.gz ZIQKSDGRWZJQNR-SNVBAGLBSA-N 1 2 278.381 1.006 20 30 CDEDLO N#Cc1sccc1N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000595630363 343113482 /nfs/dbraw/zinc/11/34/82/343113482.db2.gz VOEYVUCQPVADOU-UHFFFAOYSA-N 1 2 273.365 1.665 20 30 CDEDLO C[C@H](C(=O)N(C)C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595633064 343113926 /nfs/dbraw/zinc/11/39/26/343113926.db2.gz KTMBAFKZUBOQBM-LLVKDONJSA-N 1 2 292.408 1.218 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)NC1CCOCC1)CCO2 ZINC000329893829 362084691 /nfs/dbraw/zinc/08/46/91/362084691.db2.gz AZOLQIYXTUNXGR-WFASDCNBSA-N 1 2 298.383 1.002 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)NC1CCOCC1)CCO2 ZINC000329893829 362084693 /nfs/dbraw/zinc/08/46/93/362084693.db2.gz AZOLQIYXTUNXGR-WFASDCNBSA-N 1 2 298.383 1.002 20 30 CDEDLO C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000330029192 362125470 /nfs/dbraw/zinc/12/54/70/362125470.db2.gz PQXUYPQOWOGZHZ-FPMFFAJLSA-N 1 2 282.384 1.764 20 30 CDEDLO C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000330029192 362125474 /nfs/dbraw/zinc/12/54/74/362125474.db2.gz PQXUYPQOWOGZHZ-FPMFFAJLSA-N 1 2 282.384 1.764 20 30 CDEDLO CCN(CC)c1ccc(Nc2cc(C#N)cnn2)c[nH+]1 ZINC000596078709 343227370 /nfs/dbraw/zinc/22/73/70/343227370.db2.gz YIOHUYOXMSTZHR-UHFFFAOYSA-N 1 2 268.324 1.755 20 30 CDEDLO CC[N@H+](CCC#N)C[C@H](O)COc1ccc(C)cc1 ZINC000081514998 342371495 /nfs/dbraw/zinc/37/14/95/342371495.db2.gz QBRBJRWHJUEPOU-AWEZNQCLSA-N 1 2 262.353 1.970 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1ccc(C)cc1 ZINC000081514998 342371496 /nfs/dbraw/zinc/37/14/96/342371496.db2.gz QBRBJRWHJUEPOU-AWEZNQCLSA-N 1 2 262.353 1.970 20 30 CDEDLO C=CCOCCCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000081799458 342374125 /nfs/dbraw/zinc/37/41/25/342374125.db2.gz YANVDXDFNQGDAM-CYBMUJFWSA-N 1 2 265.357 1.618 20 30 CDEDLO C[C@@H](CNC(=O)CNc1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000081800747 342374167 /nfs/dbraw/zinc/37/41/67/342374167.db2.gz FRBONZSANVSQDJ-ZDUSSCGKSA-N 1 2 297.362 1.619 20 30 CDEDLO N#Cc1nc(N2CCc3[nH+]c[nH]c3C2)ccc1Cl ZINC000596236676 343282614 /nfs/dbraw/zinc/28/26/14/343282614.db2.gz KMSIWUWZAUYTML-UHFFFAOYSA-N 1 2 259.700 1.892 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1ncc(C#N)cc1F ZINC000596427268 343312017 /nfs/dbraw/zinc/31/20/17/343312017.db2.gz DWVDCJHNRCQFOE-MNOVXSKESA-N 1 2 278.331 1.613 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1ncc(C#N)cc1F ZINC000596427268 343312018 /nfs/dbraw/zinc/31/20/18/343312018.db2.gz DWVDCJHNRCQFOE-MNOVXSKESA-N 1 2 278.331 1.613 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000626151360 342442625 /nfs/dbraw/zinc/44/26/25/342442625.db2.gz FBYICANUCTXQFH-LLVKDONJSA-N 1 2 278.327 1.711 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCOc2cc(F)ccc2C1 ZINC000626151360 342442626 /nfs/dbraw/zinc/44/26/26/342442626.db2.gz FBYICANUCTXQFH-LLVKDONJSA-N 1 2 278.327 1.711 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C(=O)OC ZINC000597118388 343458784 /nfs/dbraw/zinc/45/87/84/343458784.db2.gz XXNUFHFWBHQPKV-VOAKCMCISA-N 1 2 253.342 1.509 20 30 CDEDLO C[C@H]([NH2+]Cc1ncnn1CCF)c1cccc(C#N)c1 ZINC000619649717 349834525 /nfs/dbraw/zinc/83/45/25/349834525.db2.gz CVGGBAUYKJQHQN-NSHDSACASA-N 1 2 273.315 1.970 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccc(C#N)cc1 ZINC000597995903 343684798 /nfs/dbraw/zinc/68/47/98/343684798.db2.gz HCENVGVAUXXAJG-OLZOCXBDSA-N 1 2 287.363 1.397 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccc(C#N)cc1 ZINC000597995903 343684800 /nfs/dbraw/zinc/68/48/00/343684800.db2.gz HCENVGVAUXXAJG-OLZOCXBDSA-N 1 2 287.363 1.397 20 30 CDEDLO COC(=O)c1cccc(C[N@H+](CC(N)=O)C(C)C)c1C#N ZINC000535978917 282296794 /nfs/dbraw/zinc/29/67/94/282296794.db2.gz QXNFNUMJSLDIBY-UHFFFAOYSA-N 1 2 289.335 1.041 20 30 CDEDLO COC(=O)c1cccc(C[N@@H+](CC(N)=O)C(C)C)c1C#N ZINC000535978917 282296797 /nfs/dbraw/zinc/29/67/97/282296797.db2.gz QXNFNUMJSLDIBY-UHFFFAOYSA-N 1 2 289.335 1.041 20 30 CDEDLO C[C@@H](C#N)N(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC000598135514 343724613 /nfs/dbraw/zinc/72/46/13/343724613.db2.gz XMZCULZEFBQHAO-MVWJERBFSA-N 1 2 258.325 1.427 20 30 CDEDLO CCC#C[C@@H](C)[NH+]1CCN(CC(=O)N[C@@H](C)CC)CC1 ZINC000677047079 482518129 /nfs/dbraw/zinc/51/81/29/482518129.db2.gz RDORGADZICADIF-LSDHHAIUSA-N 1 2 279.428 1.321 20 30 CDEDLO COC1CC[NH+](Cc2cn(-c3ncccc3C#N)nn2)CC1 ZINC000600976132 349897597 /nfs/dbraw/zinc/89/75/97/349897597.db2.gz JSGFDWJFMYFOMG-UHFFFAOYSA-N 1 2 298.350 1.145 20 30 CDEDLO Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1CCCC#N ZINC000599446798 344051533 /nfs/dbraw/zinc/05/15/33/344051533.db2.gz ZANRNXWNZMJBSI-AWEZNQCLSA-N 1 2 270.340 1.394 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCc3[nH]c[nH+]c3C2)s1 ZINC000599953454 344157118 /nfs/dbraw/zinc/15/71/18/344157118.db2.gz ZZTJALXRTWFLIV-UHFFFAOYSA-N 1 2 258.306 1.541 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCc3[nH+]c[nH]c3C2)s1 ZINC000599953454 344157119 /nfs/dbraw/zinc/15/71/19/344157119.db2.gz ZZTJALXRTWFLIV-UHFFFAOYSA-N 1 2 258.306 1.541 20 30 CDEDLO CCn1cc[nH+]c1CNC(=O)c1ccccc1CC#N ZINC000601611128 344202461 /nfs/dbraw/zinc/20/24/61/344202461.db2.gz NJFQJEUYRZEEJG-UHFFFAOYSA-N 1 2 268.320 1.899 20 30 CDEDLO C[C@]1(C#N)CCCN(Cc2cc3c(c[nH+]2)OCCO3)C1 ZINC000602608363 344492514 /nfs/dbraw/zinc/49/25/14/344492514.db2.gz MNGJYZQLYZCTNA-OAHLLOKOSA-N 1 2 273.336 1.978 20 30 CDEDLO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC(F)(F)CO ZINC000602609618 344493031 /nfs/dbraw/zinc/49/30/31/344493031.db2.gz BFMWYUVKLSJABS-JTQLQIEISA-N 1 2 262.300 1.303 20 30 CDEDLO C=CCOC[C@@H]([NH2+]CCc1ccc(C)cc1)C(=O)OC ZINC000602644986 344514216 /nfs/dbraw/zinc/51/42/16/344514216.db2.gz PWVPSUJAHXIHRQ-OAHLLOKOSA-N 1 2 277.364 1.871 20 30 CDEDLO C=CCC[C@H]([NH2+][C@@H]1CCCNC(=O)C1)C(=O)OCC ZINC000602682758 344529109 /nfs/dbraw/zinc/52/91/09/344529109.db2.gz RQUJNZNRFWDEAE-NEPJUHHUSA-N 1 2 268.357 1.143 20 30 CDEDLO N#CC1(C[NH2+]Cc2cc3c(cn2)OCCO3)CCC1 ZINC000602701072 344546159 /nfs/dbraw/zinc/54/61/59/344546159.db2.gz ZOVBFTSBGIZYNA-UHFFFAOYSA-N 1 2 259.309 1.636 20 30 CDEDLO CC[N@H+](CC1(CC#N)CC1)[C@H](C)CS(C)(=O)=O ZINC000602782808 344597561 /nfs/dbraw/zinc/59/75/61/344597561.db2.gz AKPHVZGDCJZOEY-LLVKDONJSA-N 1 2 258.387 1.435 20 30 CDEDLO CC[N@@H+](CC1(CC#N)CC1)[C@H](C)CS(C)(=O)=O ZINC000602782808 344597563 /nfs/dbraw/zinc/59/75/63/344597563.db2.gz AKPHVZGDCJZOEY-LLVKDONJSA-N 1 2 258.387 1.435 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCCOc1ccc(F)cc1 ZINC000602862052 344617539 /nfs/dbraw/zinc/61/75/39/344617539.db2.gz KRXNKMNZUZLNHH-NSHDSACASA-N 1 2 279.315 1.212 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000602862900 344617822 /nfs/dbraw/zinc/61/78/22/344617822.db2.gz MMEQTWJRUNHEMK-QWRGUYRKSA-N 1 2 277.393 1.913 20 30 CDEDLO COc1ccc(OC)c(NC(=O)C[NH2+][C@@H](C)CC#N)c1 ZINC000602864112 344637752 /nfs/dbraw/zinc/63/77/52/344637752.db2.gz QTRHRSZIJOCKGI-JTQLQIEISA-N 1 2 277.324 1.534 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)NCC1CCCCC1 ZINC000602863735 344637872 /nfs/dbraw/zinc/63/78/72/344637872.db2.gz POIZVSDCUZIGJZ-NWDGAFQWSA-N 1 2 251.374 1.963 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N[C@@H](C)c1cccs1 ZINC000602866272 344638826 /nfs/dbraw/zinc/63/88/26/344638826.db2.gz ZQFRWGSCQQSCFO-ZJUUUORDSA-N 1 2 251.355 1.817 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1cccc(C#N)c1 ZINC000602867533 344639418 /nfs/dbraw/zinc/63/94/18/344639418.db2.gz DPYCATOETOMYKZ-WDEREUQCSA-N 1 2 256.309 1.777 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(F)c(C#N)c2)nn1 ZINC000603201216 344733504 /nfs/dbraw/zinc/73/35/04/344733504.db2.gz PZIMZNLKADFFKC-UHFFFAOYSA-N 1 2 283.310 1.450 20 30 CDEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCN(CCC#N)CC1 ZINC000603010536 344685740 /nfs/dbraw/zinc/68/57/40/344685740.db2.gz YJOYQSIVAWTSLD-UHFFFAOYSA-N 1 2 287.367 1.762 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CC[NH+](CCOC)CC1 ZINC000340281856 263104264 /nfs/dbraw/zinc/10/42/64/263104264.db2.gz FEVBVNATHWFUEB-UHFFFAOYSA-N 1 2 254.374 1.379 20 30 CDEDLO Cc1nnc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)o1 ZINC000051852035 345205037 /nfs/dbraw/zinc/20/50/37/345205037.db2.gz KRYRKOKJUYROOV-UHFFFAOYSA-N 1 2 297.362 1.962 20 30 CDEDLO Cc1nnc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)o1 ZINC000051852035 345205042 /nfs/dbraw/zinc/20/50/42/345205042.db2.gz KRYRKOKJUYROOV-UHFFFAOYSA-N 1 2 297.362 1.962 20 30 CDEDLO N#Cc1cccc(-c2nnc(Cn3cc[nH+]c3)o2)c1 ZINC000072558639 345333644 /nfs/dbraw/zinc/33/36/44/345333644.db2.gz WOIQRRGEFZQPFX-UHFFFAOYSA-N 1 2 251.249 1.853 20 30 CDEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000618904172 345445281 /nfs/dbraw/zinc/44/52/81/345445281.db2.gz UQVOPDICBFYJGV-GHMZBOCLSA-N 1 2 281.381 1.207 20 30 CDEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000618904172 345445282 /nfs/dbraw/zinc/44/52/82/345445282.db2.gz UQVOPDICBFYJGV-GHMZBOCLSA-N 1 2 281.381 1.207 20 30 CDEDLO CC[C@H](C)NC(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609538510 345595391 /nfs/dbraw/zinc/59/53/91/345595391.db2.gz LMECNAPSDHPYTP-UONOGXRCSA-N 1 2 280.416 1.067 20 30 CDEDLO C[N@H+](CCN1CCCC1=O)Cc1ccc(C#N)cc1F ZINC000609578186 345816385 /nfs/dbraw/zinc/81/63/85/345816385.db2.gz FARSVXGIVVXFPU-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO C[N@@H+](CCN1CCCC1=O)Cc1ccc(C#N)cc1F ZINC000609578186 345816389 /nfs/dbraw/zinc/81/63/89/345816389.db2.gz FARSVXGIVVXFPU-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO CCC[C@H](C(=O)OCC)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000610133221 346208481 /nfs/dbraw/zinc/20/84/81/346208481.db2.gz QZKXCGXLQCDIRA-CABCVRRESA-N 1 2 295.427 1.884 20 30 CDEDLO C[C@H](C#N)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000610257869 346232365 /nfs/dbraw/zinc/23/23/65/346232365.db2.gz DDJCMMNEQVXHLJ-TZMCWYRMSA-N 1 2 272.352 1.322 20 30 CDEDLO C[C@H](C#N)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000610257869 346232367 /nfs/dbraw/zinc/23/23/67/346232367.db2.gz DDJCMMNEQVXHLJ-TZMCWYRMSA-N 1 2 272.352 1.322 20 30 CDEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000611302683 346742246 /nfs/dbraw/zinc/74/22/46/346742246.db2.gz WLMCCDVLAIFQGD-JTQLQIEISA-N 1 2 293.289 1.012 20 30 CDEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000611302683 346742248 /nfs/dbraw/zinc/74/22/48/346742248.db2.gz WLMCCDVLAIFQGD-JTQLQIEISA-N 1 2 293.289 1.012 20 30 CDEDLO C=C[C@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)C(=O)OC ZINC000619701594 347885592 /nfs/dbraw/zinc/88/55/92/347885592.db2.gz OGXVRXDJWIRMFY-ZDUSSCGKSA-N 1 2 294.326 1.263 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000619721497 348198745 /nfs/dbraw/zinc/19/87/45/348198745.db2.gz QRHWTOCIJJBMPX-NSHDSACASA-N 1 2 271.382 1.312 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCSC2(CCOCC2)C1 ZINC000619721497 348198747 /nfs/dbraw/zinc/19/87/47/348198747.db2.gz QRHWTOCIJJBMPX-NSHDSACASA-N 1 2 271.382 1.312 20 30 CDEDLO CC1(C)CN(C(=O)c2cc(C#N)cs2)CC[N@@H+]1CCO ZINC000614895514 348263468 /nfs/dbraw/zinc/26/34/68/348263468.db2.gz VNCNOSVGAXQYFK-UHFFFAOYSA-N 1 2 293.392 1.148 20 30 CDEDLO CC1(C)CN(C(=O)c2cc(C#N)cs2)CC[N@H+]1CCO ZINC000614895514 348263471 /nfs/dbraw/zinc/26/34/71/348263471.db2.gz VNCNOSVGAXQYFK-UHFFFAOYSA-N 1 2 293.392 1.148 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc2ccncc2c1 ZINC000414119873 362926922 /nfs/dbraw/zinc/92/69/22/362926922.db2.gz DXJLLKXIONLBEP-HNNXBMFYSA-N 1 2 285.347 1.820 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc2ccncc2c1 ZINC000414119873 362926933 /nfs/dbraw/zinc/92/69/33/362926933.db2.gz DXJLLKXIONLBEP-HNNXBMFYSA-N 1 2 285.347 1.820 20 30 CDEDLO C#CCCOc1ccc(C[N@H+]2CCN(CC)C(=O)C2)cc1 ZINC000273377321 192131412 /nfs/dbraw/zinc/13/14/12/192131412.db2.gz GDEBRNAEWFIYNI-UHFFFAOYSA-N 1 2 286.375 1.753 20 30 CDEDLO C#CCCOc1ccc(C[N@@H+]2CCN(CC)C(=O)C2)cc1 ZINC000273377321 192131414 /nfs/dbraw/zinc/13/14/14/192131414.db2.gz GDEBRNAEWFIYNI-UHFFFAOYSA-N 1 2 286.375 1.753 20 30 CDEDLO C[C@@H](NC(=O)NCCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000043311296 348755200 /nfs/dbraw/zinc/75/52/00/348755200.db2.gz CSGOOEHOJSACBK-GFCCVEGCSA-N 1 2 283.335 1.815 20 30 CDEDLO Cc1ccc2[nH+]c(CNC(=O)N(C)C[C@H](C)C#N)cn2c1 ZINC000057221430 348834132 /nfs/dbraw/zinc/83/41/32/348834132.db2.gz ZFVPBQPGBHZJLQ-GFCCVEGCSA-N 1 2 285.351 1.944 20 30 CDEDLO C=CCN1C(=O)C(=O)N(Cc2cn3cccc(C)c3[nH+]2)C1=O ZINC000072836843 349136792 /nfs/dbraw/zinc/13/67/92/349136792.db2.gz QOEMYRZVUSWGGI-UHFFFAOYSA-N 1 2 298.302 1.120 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](O)C1CC1 ZINC000305734912 350083250 /nfs/dbraw/zinc/08/32/50/350083250.db2.gz LOVSKZRVWKLZKD-CABCVRRESA-N 1 2 288.347 1.475 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)C1CC1 ZINC000305734912 350083251 /nfs/dbraw/zinc/08/32/51/350083251.db2.gz LOVSKZRVWKLZKD-CABCVRRESA-N 1 2 288.347 1.475 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602668154 350139063 /nfs/dbraw/zinc/13/90/63/350139063.db2.gz BTAPXTVPTLQGSS-GFCCVEGCSA-N 1 2 293.392 1.210 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602668154 350139065 /nfs/dbraw/zinc/13/90/65/350139065.db2.gz BTAPXTVPTLQGSS-GFCCVEGCSA-N 1 2 293.392 1.210 20 30 CDEDLO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)n2)c2nccn21 ZINC000602679807 350141023 /nfs/dbraw/zinc/14/10/23/350141023.db2.gz BXMDWLGJBWKNDF-ZWNOBZJWSA-N 1 2 253.309 1.945 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cn(C)nc2C)c1 ZINC000092142813 180334501 /nfs/dbraw/zinc/33/45/01/180334501.db2.gz QIHXBIBIFAYSPZ-UHFFFAOYSA-N 1 2 296.374 1.780 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cn(C)nc2C)c1 ZINC000092142813 180334502 /nfs/dbraw/zinc/33/45/02/180334502.db2.gz QIHXBIBIFAYSPZ-UHFFFAOYSA-N 1 2 296.374 1.780 20 30 CDEDLO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000292063652 198149864 /nfs/dbraw/zinc/14/98/64/198149864.db2.gz AZDBBXUTWQOSBY-LBPRGKRZSA-N 1 2 296.367 1.564 20 30 CDEDLO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000292063652 198149865 /nfs/dbraw/zinc/14/98/65/198149865.db2.gz AZDBBXUTWQOSBY-LBPRGKRZSA-N 1 2 296.367 1.564 20 30 CDEDLO C[C@H]1C[C@@H](O)CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000292295497 198234083 /nfs/dbraw/zinc/23/40/83/198234083.db2.gz CVEFORBAYBCXIO-ONGXEEELSA-N 1 2 279.365 1.403 20 30 CDEDLO C[C@H]1C[C@@H](O)CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000292295497 198234085 /nfs/dbraw/zinc/23/40/85/198234085.db2.gz CVEFORBAYBCXIO-ONGXEEELSA-N 1 2 279.365 1.403 20 30 CDEDLO Cn1cnnc1[C@H]1CCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000157060017 188295003 /nfs/dbraw/zinc/29/50/03/188295003.db2.gz QCHYJIXEVVIPAY-OAHLLOKOSA-N 1 2 297.362 1.903 20 30 CDEDLO Cn1cnnc1[C@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000157060017 188295004 /nfs/dbraw/zinc/29/50/04/188295004.db2.gz QCHYJIXEVVIPAY-OAHLLOKOSA-N 1 2 297.362 1.903 20 30 CDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000336248942 363228556 /nfs/dbraw/zinc/22/85/56/363228556.db2.gz CFHZNOULIRZVLD-DOMZBBRYSA-N 1 2 273.336 1.474 20 30 CDEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000293189511 198553944 /nfs/dbraw/zinc/55/39/44/198553944.db2.gz QELPZQZPJUICJQ-NSHDSACASA-N 1 2 274.320 1.697 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000293189511 198553946 /nfs/dbraw/zinc/55/39/46/198553946.db2.gz QELPZQZPJUICJQ-NSHDSACASA-N 1 2 274.320 1.697 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)N(C)[C@@H](C)C#N)cc2n1C ZINC000336283266 363289240 /nfs/dbraw/zinc/28/92/40/363289240.db2.gz RHZITDZGGNLUQI-VIFPVBQESA-N 1 2 256.309 1.866 20 30 CDEDLO COc1cc(OC)c(OC)cc1C[NH2+]C[C@@H](C)C#N ZINC000048299407 356532254 /nfs/dbraw/zinc/53/22/54/356532254.db2.gz WNSIVIVWQWQRKS-JTQLQIEISA-N 1 2 264.325 1.962 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(C)cc2)CC1 ZINC000299305259 357020239 /nfs/dbraw/zinc/02/02/39/357020239.db2.gz HSYYFOBFCXGLLF-UHFFFAOYSA-N 1 2 272.348 1.151 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000334452343 357587924 /nfs/dbraw/zinc/58/79/24/357587924.db2.gz YGZZRMVDSZERSA-OAHLLOKOSA-N 1 2 287.338 1.894 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000334452343 357587929 /nfs/dbraw/zinc/58/79/29/357587929.db2.gz YGZZRMVDSZERSA-OAHLLOKOSA-N 1 2 287.338 1.894 20 30 CDEDLO CN(C)c1ccc(CNc2ncc([N+](=O)[O-])cc2C#N)c[nH+]1 ZINC000356747377 358122063 /nfs/dbraw/zinc/12/20/63/358122063.db2.gz VGUALWZDPDDYNE-UHFFFAOYSA-N 1 2 298.306 1.356 20 30 CDEDLO CC(C)O[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000566676125 358326643 /nfs/dbraw/zinc/32/66/43/358326643.db2.gz CPOQWOCXYPBRGJ-CABCVRRESA-N 1 2 287.363 1.584 20 30 CDEDLO CC(C)O[C@@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000566676125 358326649 /nfs/dbraw/zinc/32/66/49/358326649.db2.gz CPOQWOCXYPBRGJ-CABCVRRESA-N 1 2 287.363 1.584 20 30 CDEDLO Cc1ncsc1/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000493433936 358598574 /nfs/dbraw/zinc/59/85/74/358598574.db2.gz PFXBOVNMIWMURT-URWSZGRFSA-N 1 2 278.381 1.425 20 30 CDEDLO C=CC[N@H+](C/C=C/c1ccncc1)[C@@H]1CCS(=O)(=O)C1 ZINC000495164182 366519009 /nfs/dbraw/zinc/51/90/09/366519009.db2.gz MZAWLHSPTDBSDY-NHZBNJEXSA-N 1 2 292.404 1.770 20 30 CDEDLO C=CC[N@@H+](C/C=C/c1ccncc1)[C@@H]1CCS(=O)(=O)C1 ZINC000495164182 366519011 /nfs/dbraw/zinc/51/90/11/366519011.db2.gz MZAWLHSPTDBSDY-NHZBNJEXSA-N 1 2 292.404 1.770 20 30 CDEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C(=O)OC)n1)C1CC1 ZINC000346527590 359022742 /nfs/dbraw/zinc/02/27/42/359022742.db2.gz AYNLPZRJCLTTFY-UHFFFAOYSA-N 1 2 289.335 1.457 20 30 CDEDLO C=CC[N@H+](CC(=O)Nc1cccc(C(=O)OC)n1)C1CC1 ZINC000346527590 359022745 /nfs/dbraw/zinc/02/27/45/359022745.db2.gz AYNLPZRJCLTTFY-UHFFFAOYSA-N 1 2 289.335 1.457 20 30 CDEDLO COC(=O)C[N@H+](Cc1ccc(C#N)s1)C1CCOCC1 ZINC000539852222 359036091 /nfs/dbraw/zinc/03/60/91/359036091.db2.gz RJNKKXSSEVTWRX-UHFFFAOYSA-N 1 2 294.376 1.774 20 30 CDEDLO COC(=O)C[N@@H+](Cc1ccc(C#N)s1)C1CCOCC1 ZINC000539852222 359036092 /nfs/dbraw/zinc/03/60/92/359036092.db2.gz RJNKKXSSEVTWRX-UHFFFAOYSA-N 1 2 294.376 1.774 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N(C)Cc1ccccc1C#N ZINC000434704167 359006315 /nfs/dbraw/zinc/00/63/15/359006315.db2.gz CRPNSORWDMHOCJ-CQSZACIVSA-N 1 2 273.380 1.711 20 30 CDEDLO Cc1cc(C#N)nc(NCC[N@@H+]2CCOCC2(C)C)n1 ZINC000287730264 359109470 /nfs/dbraw/zinc/10/94/70/359109470.db2.gz GFCHZGYXEQCFIZ-UHFFFAOYSA-N 1 2 275.356 1.179 20 30 CDEDLO Cc1cc(C#N)nc(NCC[N@H+]2CCOCC2(C)C)n1 ZINC000287730264 359109476 /nfs/dbraw/zinc/10/94/76/359109476.db2.gz GFCHZGYXEQCFIZ-UHFFFAOYSA-N 1 2 275.356 1.179 20 30 CDEDLO C=C1CC[NH+](CC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000264491430 359307633 /nfs/dbraw/zinc/30/76/33/359307633.db2.gz STLSIHUWWQMPES-UHFFFAOYSA-N 1 2 287.363 1.664 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](O)C2)c1C ZINC000265624929 359332139 /nfs/dbraw/zinc/33/21/39/359332139.db2.gz IIKJYOOMEAUTCD-CQSZACIVSA-N 1 2 276.380 1.930 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](O)C2)c1C ZINC000265624929 359332141 /nfs/dbraw/zinc/33/21/41/359332141.db2.gz IIKJYOOMEAUTCD-CQSZACIVSA-N 1 2 276.380 1.930 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccnn1C1CCCC1 ZINC000266934749 359346269 /nfs/dbraw/zinc/34/62/69/359346269.db2.gz PSQGJKMDUGMJBH-UHFFFAOYSA-N 1 2 274.368 1.892 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccnn1C1CCCC1 ZINC000266934749 359346274 /nfs/dbraw/zinc/34/62/74/359346274.db2.gz PSQGJKMDUGMJBH-UHFFFAOYSA-N 1 2 274.368 1.892 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N[C@@H](C)c1ccccc1OC ZINC000267674227 359353106 /nfs/dbraw/zinc/35/31/06/359353106.db2.gz PIUQVEYMBGRLII-AWEZNQCLSA-N 1 2 284.359 1.441 20 30 CDEDLO C=CCOCCCc1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000272634246 359461637 /nfs/dbraw/zinc/46/16/37/359461637.db2.gz KWQBQWZKTMFSMN-CYBMUJFWSA-N 1 2 295.383 1.987 20 30 CDEDLO C=CCOCCCc1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000272634246 359461641 /nfs/dbraw/zinc/46/16/41/359461641.db2.gz KWQBQWZKTMFSMN-CYBMUJFWSA-N 1 2 295.383 1.987 20 30 CDEDLO C#CC[N@@H+](CC(=O)N(C)Cc1ccccc1OC)C1CC1 ZINC000274248787 359494970 /nfs/dbraw/zinc/49/49/70/359494970.db2.gz ZCQUVPYCDVJGEO-UHFFFAOYSA-N 1 2 286.375 1.751 20 30 CDEDLO C#CC[N@H+](CC(=O)N(C)Cc1ccccc1OC)C1CC1 ZINC000274248787 359494974 /nfs/dbraw/zinc/49/49/74/359494974.db2.gz ZCQUVPYCDVJGEO-UHFFFAOYSA-N 1 2 286.375 1.751 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@H+](C[C@H](C#N)CCC#N)C[C@@H](C)O2 ZINC000369301109 359555542 /nfs/dbraw/zinc/55/55/42/359555542.db2.gz AFVLEYOBLWAYJZ-QPSCCSFWSA-N 1 2 277.368 1.698 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@@H+](C[C@H](C#N)CCC#N)C[C@@H](C)O2 ZINC000369301109 359555546 /nfs/dbraw/zinc/55/55/46/359555546.db2.gz AFVLEYOBLWAYJZ-QPSCCSFWSA-N 1 2 277.368 1.698 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](C)C[C@H]1C(=O)OC ZINC000275010354 359527054 /nfs/dbraw/zinc/52/70/54/359527054.db2.gz RIFKVGHKHCNSAB-KGLIPLIRSA-N 1 2 294.395 1.461 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1C(=O)OC ZINC000275010354 359527060 /nfs/dbraw/zinc/52/70/60/359527060.db2.gz RIFKVGHKHCNSAB-KGLIPLIRSA-N 1 2 294.395 1.461 20 30 CDEDLO CC#CCN(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000298090879 200331643 /nfs/dbraw/zinc/33/16/43/200331643.db2.gz XKYMZCGBMBAGJQ-UHFFFAOYSA-N 1 2 256.309 1.499 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](CCOC)Cc2cncs2)C1=O ZINC000337253124 360045776 /nfs/dbraw/zinc/04/57/76/360045776.db2.gz RWLYTGNSWQVBTJ-CYBMUJFWSA-N 1 2 295.408 1.378 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](CCOC)Cc2cncs2)C1=O ZINC000337253124 360045779 /nfs/dbraw/zinc/04/57/79/360045779.db2.gz RWLYTGNSWQVBTJ-CYBMUJFWSA-N 1 2 295.408 1.378 20 30 CDEDLO CCCC[C@H](C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000337455497 360145776 /nfs/dbraw/zinc/14/57/76/360145776.db2.gz WODCYAPMQZLOCP-HNNXBMFYSA-N 1 2 295.427 1.887 20 30 CDEDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC000130432060 360395080 /nfs/dbraw/zinc/39/50/80/360395080.db2.gz RXVNRZUSGUORJP-CYBMUJFWSA-N 1 2 273.336 1.277 20 30 CDEDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1OC ZINC000130432060 360395083 /nfs/dbraw/zinc/39/50/83/360395083.db2.gz RXVNRZUSGUORJP-CYBMUJFWSA-N 1 2 273.336 1.277 20 30 CDEDLO C[C@@H](NC(=O)c1cc(C#N)cs1)[C@H](C)[NH+]1CCOCC1 ZINC000177466035 189053580 /nfs/dbraw/zinc/05/35/80/189053580.db2.gz RAJIZJNIDTVIPK-MNOVXSKESA-N 1 2 293.392 1.459 20 30 CDEDLO CN1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1=O ZINC000191152880 360690494 /nfs/dbraw/zinc/69/04/94/360690494.db2.gz CHMISNNUDIACOB-UHFFFAOYSA-N 1 2 261.300 1.361 20 30 CDEDLO CN1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1=O ZINC000191152880 360690496 /nfs/dbraw/zinc/69/04/96/360690496.db2.gz CHMISNNUDIACOB-UHFFFAOYSA-N 1 2 261.300 1.361 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2ccc(OC)c(C#N)c2)CCO1 ZINC000179222567 189178515 /nfs/dbraw/zinc/17/85/15/189178515.db2.gz VLLPHNLGIVGKIH-CQSZACIVSA-N 1 2 276.336 1.414 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2ccc(OC)c(C#N)c2)CCO1 ZINC000179222567 189178516 /nfs/dbraw/zinc/17/85/16/189178516.db2.gz VLLPHNLGIVGKIH-CQSZACIVSA-N 1 2 276.336 1.414 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000349743500 360935764 /nfs/dbraw/zinc/93/57/64/360935764.db2.gz LBWJNFBODKGJBB-CQSZACIVSA-N 1 2 293.330 1.622 20 30 CDEDLO CCOC(=O)N1CCC[N@H+](Cc2ccc(C#N)o2)CC1 ZINC000179747141 189217949 /nfs/dbraw/zinc/21/79/49/189217949.db2.gz IXZZFZZAMRADRI-UHFFFAOYSA-N 1 2 277.324 1.815 20 30 CDEDLO CCOC(=O)N1CCC[N@@H+](Cc2ccc(C#N)o2)CC1 ZINC000179747141 189217950 /nfs/dbraw/zinc/21/79/50/189217950.db2.gz IXZZFZZAMRADRI-UHFFFAOYSA-N 1 2 277.324 1.815 20 30 CDEDLO N#CC1(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)CCC1 ZINC000130769476 360996390 /nfs/dbraw/zinc/99/63/90/360996390.db2.gz NJTOOVFGMJBHCA-UHFFFAOYSA-N 1 2 299.374 1.730 20 30 CDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccc(Cl)nc1 ZINC000131573613 361110414 /nfs/dbraw/zinc/11/04/14/361110414.db2.gz PRNJMJJFUZZEIU-UHFFFAOYSA-N 1 2 284.747 1.439 20 30 CDEDLO C[C@H](C#N)C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000338918389 361129401 /nfs/dbraw/zinc/12/94/01/361129401.db2.gz SZGBKVONUDJPLH-MRVPVSSYSA-N 1 2 257.297 1.727 20 30 CDEDLO Cn1cc[nH+]c1CN1CCN(c2ccc(C#N)cc2)CC1 ZINC000105796546 361140860 /nfs/dbraw/zinc/14/08/60/361140860.db2.gz NNYBDOPSXLLUPD-UHFFFAOYSA-N 1 2 281.363 1.614 20 30 CDEDLO Cn1ccnc1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000105796546 361140864 /nfs/dbraw/zinc/14/08/64/361140864.db2.gz NNYBDOPSXLLUPD-UHFFFAOYSA-N 1 2 281.363 1.614 20 30 CDEDLO Cn1ccc(N2CCC[C@@H]([N@H+](C)CC(C)(C)C#N)C2=O)n1 ZINC000433291160 361227124 /nfs/dbraw/zinc/22/71/24/361227124.db2.gz UYRHRBMQJPHBBE-GFCCVEGCSA-N 1 2 289.383 1.397 20 30 CDEDLO Cn1ccc(N2CCC[C@@H]([N@@H+](C)CC(C)(C)C#N)C2=O)n1 ZINC000433291160 361227125 /nfs/dbraw/zinc/22/71/25/361227125.db2.gz UYRHRBMQJPHBBE-GFCCVEGCSA-N 1 2 289.383 1.397 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000520230084 361448733 /nfs/dbraw/zinc/44/87/33/361448733.db2.gz APEVDBDNDJVUKC-RISCZKNCSA-N 1 2 261.300 1.892 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000158925194 361434969 /nfs/dbraw/zinc/43/49/69/361434969.db2.gz NAXUXFNHESEPFE-UHFFFAOYSA-N 1 2 260.312 1.607 20 30 CDEDLO CC#CCCNC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000435930149 361455117 /nfs/dbraw/zinc/45/51/17/361455117.db2.gz WCOATKGWKMYWFI-ZDUSSCGKSA-N 1 2 289.383 1.211 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@@H]1C ZINC000639687930 364405876 /nfs/dbraw/zinc/40/58/76/364405876.db2.gz KSRLLJFEPHAVMA-HZSPNIEDSA-N 1 2 293.411 1.127 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@@H]1C ZINC000639687930 364405880 /nfs/dbraw/zinc/40/58/80/364405880.db2.gz KSRLLJFEPHAVMA-HZSPNIEDSA-N 1 2 293.411 1.127 20 30 CDEDLO CC(C)(C)OC(=O)N1CC([NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000496467986 366836059 /nfs/dbraw/zinc/83/60/59/366836059.db2.gz BYQXFKTWTHRARZ-LLVKDONJSA-N 1 2 278.356 1.639 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000490877617 364441803 /nfs/dbraw/zinc/44/18/03/364441803.db2.gz YOEFEDPUJCAPRK-VIFPVBQESA-N 1 2 260.259 1.319 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000490877617 364441806 /nfs/dbraw/zinc/44/18/06/364441806.db2.gz YOEFEDPUJCAPRK-VIFPVBQESA-N 1 2 260.259 1.319 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)CCn1cnc2ccccc2c1=O ZINC000161956683 364562816 /nfs/dbraw/zinc/56/28/16/364562816.db2.gz FEFSRKGXFSVQFU-GFCCVEGCSA-N 1 2 270.336 1.630 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)CCn1cnc2ccccc2c1=O ZINC000161956683 364562820 /nfs/dbraw/zinc/56/28/20/364562820.db2.gz FEFSRKGXFSVQFU-GFCCVEGCSA-N 1 2 270.336 1.630 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H](C(N)=O)C1 ZINC000249546709 364860725 /nfs/dbraw/zinc/86/07/25/364860725.db2.gz GKBAXJDTBKQAJS-QMTHXVAHSA-N 1 2 275.327 1.783 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H](C(N)=O)C1 ZINC000249546709 364860730 /nfs/dbraw/zinc/86/07/30/364860730.db2.gz GKBAXJDTBKQAJS-QMTHXVAHSA-N 1 2 275.327 1.783 20 30 CDEDLO C[C@H](CC(=O)N1CCC(CC#N)CC1)n1cc[nH+]c1 ZINC000580204204 364885145 /nfs/dbraw/zinc/88/51/45/364885145.db2.gz WJSRXBSDVTUZMJ-GFCCVEGCSA-N 1 2 260.341 1.986 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2CCC(C)(C)O2)nn1 ZINC000641082277 364994487 /nfs/dbraw/zinc/99/44/87/364994487.db2.gz LRWHKBJJGYOITB-ZDUSSCGKSA-N 1 2 262.357 1.349 20 30 CDEDLO C[C@]1(C(N)=O)CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329622541 291347537 /nfs/dbraw/zinc/34/75/37/291347537.db2.gz RTUNNTMNSQWKMN-XPTSAGLGSA-N 1 2 291.355 1.428 20 30 CDEDLO C[C@]1(C(N)=O)CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329622541 291347538 /nfs/dbraw/zinc/34/75/38/291347538.db2.gz RTUNNTMNSQWKMN-XPTSAGLGSA-N 1 2 291.355 1.428 20 30 CDEDLO C=CCNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000630404473 368884071 /nfs/dbraw/zinc/88/40/71/368884071.db2.gz GAUMXOUNPMLXIN-UHFFFAOYSA-N 1 2 292.408 1.620 20 30 CDEDLO C=CCC[N@@H+](C)CC(=O)NC(=O)c1ccc(OC)cc1 ZINC000276079264 193207849 /nfs/dbraw/zinc/20/78/49/193207849.db2.gz ATYOBRSRUWWLPQ-UHFFFAOYSA-N 1 2 276.336 1.460 20 30 CDEDLO C=CCC[N@H+](C)CC(=O)NC(=O)c1ccc(OC)cc1 ZINC000276079264 193207852 /nfs/dbraw/zinc/20/78/52/193207852.db2.gz ATYOBRSRUWWLPQ-UHFFFAOYSA-N 1 2 276.336 1.460 20 30 CDEDLO N#CCc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000554743587 370228628 /nfs/dbraw/zinc/22/86/28/370228628.db2.gz NZVPRLOOTQOXAY-CQSZACIVSA-N 1 2 297.362 1.956 20 30 CDEDLO N#CCc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000554743587 370228634 /nfs/dbraw/zinc/22/86/34/370228634.db2.gz NZVPRLOOTQOXAY-CQSZACIVSA-N 1 2 297.362 1.956 20 30 CDEDLO C=CCCOCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000568203691 371209399 /nfs/dbraw/zinc/20/93/99/371209399.db2.gz QVZBGNFZPNUCPR-NSHDSACASA-N 1 2 251.330 1.297 20 30 CDEDLO C=CCCOCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000568203691 371209404 /nfs/dbraw/zinc/20/94/04/371209404.db2.gz QVZBGNFZPNUCPR-NSHDSACASA-N 1 2 251.330 1.297 20 30 CDEDLO C=CCCOCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000568203690 371209510 /nfs/dbraw/zinc/20/95/10/371209510.db2.gz QVZBGNFZPNUCPR-LLVKDONJSA-N 1 2 251.330 1.297 20 30 CDEDLO C=CCCOCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000568203690 371209516 /nfs/dbraw/zinc/20/95/16/371209516.db2.gz QVZBGNFZPNUCPR-LLVKDONJSA-N 1 2 251.330 1.297 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)C1CC1 ZINC000573239936 371473013 /nfs/dbraw/zinc/47/30/13/371473013.db2.gz YQYYWSZJTBPTAP-CYZMBNFOSA-N 1 2 287.367 1.863 20 30 CDEDLO CC[C@H]1C[N@H+](CCNC(=O)c2cccc(C#N)c2)CCO1 ZINC000347606113 372090536 /nfs/dbraw/zinc/09/05/36/372090536.db2.gz JYZYLUVHYVIEFM-HNNXBMFYSA-N 1 2 287.363 1.399 20 30 CDEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2cccc(C#N)c2)CCO1 ZINC000347606113 372090543 /nfs/dbraw/zinc/09/05/43/372090543.db2.gz JYZYLUVHYVIEFM-HNNXBMFYSA-N 1 2 287.363 1.399 20 30 CDEDLO COC(=O)CN(CC#N)Cc1cn2cc(C)ccc2[nH+]1 ZINC000177836573 372121252 /nfs/dbraw/zinc/12/12/52/372121252.db2.gz IVLRAEJZQBMCNF-UHFFFAOYSA-N 1 2 272.308 1.141 20 30 CDEDLO CC1(C)C[N@H+](CC(=O)NC2(C#N)CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000577837111 372136363 /nfs/dbraw/zinc/13/63/63/372136363.db2.gz YFJCNSPGTUQZNM-GXTWGEPZSA-N 1 2 291.395 1.438 20 30 CDEDLO CC1(C)C[N@@H+](CC(=O)NC2(C#N)CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000577837111 372136369 /nfs/dbraw/zinc/13/63/69/372136369.db2.gz YFJCNSPGTUQZNM-GXTWGEPZSA-N 1 2 291.395 1.438 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000185119112 372658744 /nfs/dbraw/zinc/65/87/44/372658744.db2.gz XAAGIXRUIFYJPR-SGTLLEGYSA-N 1 2 274.430 1.110 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000185119112 372658751 /nfs/dbraw/zinc/65/87/51/372658751.db2.gz XAAGIXRUIFYJPR-SGTLLEGYSA-N 1 2 274.430 1.110 20 30 CDEDLO C=CCOc1cccnc1C(=O)N1CC[NH+](C)CC1 ZINC000341419641 373680448 /nfs/dbraw/zinc/68/04/48/373680448.db2.gz KHIKDNOKEHANRM-UHFFFAOYSA-N 1 2 261.325 1.034 20 30 CDEDLO C=CCCN(C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000342432844 374198919 /nfs/dbraw/zinc/19/89/19/374198919.db2.gz FIRQQVPLAQIYGW-QWHCGFSZSA-N 1 2 269.389 1.313 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1ccc(F)cc1F ZINC000043633868 374339292 /nfs/dbraw/zinc/33/92/92/374339292.db2.gz YODPHPYVWPASGQ-JTQLQIEISA-N 1 2 266.291 1.535 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccc(F)cc1F ZINC000043633868 374339298 /nfs/dbraw/zinc/33/92/98/374339298.db2.gz YODPHPYVWPASGQ-JTQLQIEISA-N 1 2 266.291 1.535 20 30 CDEDLO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc(C#N)cs2)[C@@H](C)C1 ZINC000225425132 374356584 /nfs/dbraw/zinc/35/65/84/374356584.db2.gz OHLDGPMIJVHSJF-QWRGUYRKSA-N 1 2 293.392 1.147 20 30 CDEDLO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc(C#N)cs2)[C@@H](C)C1 ZINC000225425132 374356591 /nfs/dbraw/zinc/35/65/91/374356591.db2.gz OHLDGPMIJVHSJF-QWRGUYRKSA-N 1 2 293.392 1.147 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3[C@@H](CCS3(=O)=O)C2)c1 ZINC000352977982 374505204 /nfs/dbraw/zinc/50/52/04/374505204.db2.gz SEYNYFPAWFNPEY-KBPBESRZSA-N 1 2 276.361 1.177 20 30 CDEDLO N#Cc1cccc(C[N@H+]2C[C@H]3[C@@H](CCS3(=O)=O)C2)c1 ZINC000352977982 374505209 /nfs/dbraw/zinc/50/52/09/374505209.db2.gz SEYNYFPAWFNPEY-KBPBESRZSA-N 1 2 276.361 1.177 20 30 CDEDLO COC1(C)C[NH+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000353024601 374510610 /nfs/dbraw/zinc/51/06/10/374510610.db2.gz IZWBUUBAVTVSIK-ZDUSSCGKSA-N 1 2 276.336 1.019 20 30 CDEDLO C[C@H]1CC[S@](=O)CC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000375948256 374525160 /nfs/dbraw/zinc/52/51/60/374525160.db2.gz QSWOPPLXLUYRFY-RBZFPXEDSA-N 1 2 292.404 1.780 20 30 CDEDLO C[C@H]1CC[S@](=O)CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000375948256 374525175 /nfs/dbraw/zinc/52/51/75/374525175.db2.gz QSWOPPLXLUYRFY-RBZFPXEDSA-N 1 2 292.404 1.780 20 30 CDEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCc1[nH+]ccn1C ZINC000070432347 374662663 /nfs/dbraw/zinc/66/26/63/374662663.db2.gz XZBQYNMXIGUPTH-UHFFFAOYSA-N 1 2 290.348 1.079 20 30 CDEDLO CC[N@@H+](CC(=O)N1CCCCCC1)C[C@@H](C)C#N ZINC000042287639 374819664 /nfs/dbraw/zinc/81/96/64/374819664.db2.gz XGFRISWLPCNTFK-ZDUSSCGKSA-N 1 2 251.374 1.871 20 30 CDEDLO CC[N@H+](CC(=O)N1CCCCCC1)C[C@@H](C)C#N ZINC000042287639 374819665 /nfs/dbraw/zinc/81/96/65/374819665.db2.gz XGFRISWLPCNTFK-ZDUSSCGKSA-N 1 2 251.374 1.871 20 30 CDEDLO N#Cc1ccnc(NCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000283525351 375118039 /nfs/dbraw/zinc/11/80/39/375118039.db2.gz KQRKKANDESVIFH-UHFFFAOYSA-N 1 2 295.346 1.797 20 30 CDEDLO Cc1n[nH]c(CCNC(=O)C2CC[NH+](C3CC3)CC2)n1 ZINC000328792617 375971276 /nfs/dbraw/zinc/97/12/76/375971276.db2.gz ZVUUQOLZBFEYLJ-UHFFFAOYSA-N 1 2 277.372 1.487 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000330466968 376140280 /nfs/dbraw/zinc/14/02/80/376140280.db2.gz XPMNBPRRXQZSFY-AGIUHOORSA-N 1 2 267.373 1.294 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000330466968 376140286 /nfs/dbraw/zinc/14/02/86/376140286.db2.gz XPMNBPRRXQZSFY-AGIUHOORSA-N 1 2 267.373 1.294 20 30 CDEDLO COc1cc(C[NH2+]C[C@@H](C)C#N)c([N+](=O)[O-])cc1OC ZINC000183828402 376275135 /nfs/dbraw/zinc/27/51/35/376275135.db2.gz LVFJZLNCMYFQHN-VIFPVBQESA-N 1 2 279.296 1.861 20 30 CDEDLO C[C@H](CS(C)(=O)=O)[N@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000172075429 377244703 /nfs/dbraw/zinc/24/47/03/377244703.db2.gz UUXKEGOEGGBAMG-GFCCVEGCSA-N 1 2 292.404 1.956 20 30 CDEDLO C[C@H](CS(C)(=O)=O)[N@@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000172075429 377244717 /nfs/dbraw/zinc/24/47/17/377244717.db2.gz UUXKEGOEGGBAMG-GFCCVEGCSA-N 1 2 292.404 1.956 20 30 CDEDLO CC(=O)NC[C@@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000172398912 377506381 /nfs/dbraw/zinc/50/63/81/377506381.db2.gz HYERIYISLLNFCS-MLGOLLRUSA-N 1 2 287.363 1.456 20 30 CDEDLO CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000172398912 377506388 /nfs/dbraw/zinc/50/63/88/377506388.db2.gz HYERIYISLLNFCS-MLGOLLRUSA-N 1 2 287.363 1.456 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)on1 ZINC000269936338 377819795 /nfs/dbraw/zinc/81/97/95/377819795.db2.gz FFJDFWIKUUWMCK-UHFFFAOYSA-N 1 2 283.335 1.572 20 30 CDEDLO C=CCC(CC=C)C(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000133349903 377889303 /nfs/dbraw/zinc/88/93/03/377889303.db2.gz VLOPKUTZGUGUCX-AWEZNQCLSA-N 1 2 279.428 1.507 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1CCO[C@@H](COC)C1 ZINC000093529089 378082448 /nfs/dbraw/zinc/08/24/48/378082448.db2.gz FIXCOSFWSFHISD-OAHLLOKOSA-N 1 2 275.348 1.546 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1CCO[C@@H](COC)C1 ZINC000093529089 378082454 /nfs/dbraw/zinc/08/24/54/378082454.db2.gz FIXCOSFWSFHISD-OAHLLOKOSA-N 1 2 275.348 1.546 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2scnc2COC)CC1 ZINC000283885633 378130429 /nfs/dbraw/zinc/13/04/29/378130429.db2.gz JRUCZEXWQXUXEF-UHFFFAOYSA-N 1 2 293.392 1.071 20 30 CDEDLO C=CCNc1ncc(C(=O)NCCCn2cc[nH+]c2)s1 ZINC000136065151 378312203 /nfs/dbraw/zinc/31/22/03/378312203.db2.gz JXLXSULNQMJORH-UHFFFAOYSA-N 1 2 291.380 1.758 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000290864663 378415198 /nfs/dbraw/zinc/41/51/98/378415198.db2.gz ZUKIIPIJDNJGKI-WCQYABFASA-N 1 2 251.330 1.550 20 30 CDEDLO C=CCCOCC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000144356543 379628203 /nfs/dbraw/zinc/62/82/03/379628203.db2.gz MHSSHPURMJRHHT-UHFFFAOYSA-N 1 2 289.379 1.319 20 30 CDEDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2cccc(C#N)n2)C1 ZINC000450540172 251329414 /nfs/dbraw/zinc/32/94/14/251329414.db2.gz NYPPDNWNYSRRPP-GFCCVEGCSA-N 1 2 288.351 1.250 20 30 CDEDLO COC(=O)C[N@H+]1CCC[C@H](CNc2cccc(C#N)n2)C1 ZINC000450540172 251329417 /nfs/dbraw/zinc/32/94/17/251329417.db2.gz NYPPDNWNYSRRPP-GFCCVEGCSA-N 1 2 288.351 1.250 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)/C=C\c1cccc(C#N)c1 ZINC000491521977 253087443 /nfs/dbraw/zinc/08/74/43/253087443.db2.gz ZKOFFRGZAZVBFQ-GEXIGZQTSA-N 1 2 299.374 1.408 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)/C=C\c1cccc(C#N)c1 ZINC000491521977 253087444 /nfs/dbraw/zinc/08/74/44/253087444.db2.gz ZKOFFRGZAZVBFQ-GEXIGZQTSA-N 1 2 299.374 1.408 20 30 CDEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000289243852 197273227 /nfs/dbraw/zinc/27/32/27/197273227.db2.gz ZVBQIWBTRVLBJT-QGZVFWFLSA-N 1 2 298.386 1.491 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000192222491 533110475 /nfs/dbraw/zinc/11/04/75/533110475.db2.gz NPMWQOAXYSQDCL-VIFPVBQESA-N 1 2 252.264 1.857 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000192222491 533110477 /nfs/dbraw/zinc/11/04/77/533110477.db2.gz NPMWQOAXYSQDCL-VIFPVBQESA-N 1 2 252.264 1.857 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2c(C)cnn2C)c1 ZINC000289087985 197231529 /nfs/dbraw/zinc/23/15/29/197231529.db2.gz LAPZRJMMKBUOHK-UHFFFAOYSA-N 1 2 296.374 1.780 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2c(C)cnn2C)c1 ZINC000289087985 197231530 /nfs/dbraw/zinc/23/15/30/197231530.db2.gz LAPZRJMMKBUOHK-UHFFFAOYSA-N 1 2 296.374 1.780 20 30 CDEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cnccn1 ZINC000660226774 412999473 /nfs/dbraw/zinc/99/94/73/412999473.db2.gz YBYWWZOKMJNTHQ-UHFFFAOYSA-N 1 2 286.335 1.739 20 30 CDEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cnccn1 ZINC000660226774 412999479 /nfs/dbraw/zinc/99/94/79/412999479.db2.gz YBYWWZOKMJNTHQ-UHFFFAOYSA-N 1 2 286.335 1.739 20 30 CDEDLO CC[N@@H+]1CCN(C(=O)c2cc(C#N)cs2)[C@H](C)C1 ZINC000288194484 197023730 /nfs/dbraw/zinc/02/37/30/197023730.db2.gz BQBGWLWAFYWDCB-SNVBAGLBSA-N 1 2 263.366 1.786 20 30 CDEDLO CC[N@H+]1CCN(C(=O)c2cc(C#N)cs2)[C@H](C)C1 ZINC000288194484 197023732 /nfs/dbraw/zinc/02/37/32/197023732.db2.gz BQBGWLWAFYWDCB-SNVBAGLBSA-N 1 2 263.366 1.786 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(COC)o2)C1=O ZINC000281246452 195166984 /nfs/dbraw/zinc/16/69/84/195166984.db2.gz MELPNHRZDHGYOZ-CQSZACIVSA-N 1 2 278.352 1.645 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(COC)o2)C1=O ZINC000281246452 195166986 /nfs/dbraw/zinc/16/69/86/195166986.db2.gz MELPNHRZDHGYOZ-CQSZACIVSA-N 1 2 278.352 1.645 20 30 CDEDLO C=CCN1CC[C@@H]([NH2+][C@@H](CO)c2c(F)cccc2F)C1=O ZINC000281258527 195171197 /nfs/dbraw/zinc/17/11/97/195171197.db2.gz HGULOXUNVQRVDG-OLZOCXBDSA-N 1 2 296.317 1.375 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2nc(C)c(C)s2)C1=O ZINC000281469279 195254003 /nfs/dbraw/zinc/25/40/03/195254003.db2.gz VVPMWQTXFGUJNB-LBPRGKRZSA-N 1 2 279.409 1.979 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2nc(C)c(C)s2)C1=O ZINC000281469279 195254005 /nfs/dbraw/zinc/25/40/05/195254005.db2.gz VVPMWQTXFGUJNB-LBPRGKRZSA-N 1 2 279.409 1.979 20 30 CDEDLO C=C[C@H](O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000646900478 390219937 /nfs/dbraw/zinc/21/99/37/390219937.db2.gz WWXGLNRQBFGKEB-AWEZNQCLSA-N 1 2 285.347 1.289 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)s1 ZINC000530908252 390364801 /nfs/dbraw/zinc/36/48/01/390364801.db2.gz CKMLZJLTCSYVNL-UHFFFAOYSA-N 1 2 258.306 1.513 20 30 CDEDLO CS(=O)(=O)CCCO[NH+]=C(N)c1cccc(Cl)c1 ZINC000103135850 390473095 /nfs/dbraw/zinc/47/30/95/390473095.db2.gz JRKQTDGQMQDJEQ-UHFFFAOYSA-N 1 2 290.772 1.412 20 30 CDEDLO C[C@H](C#N)C[N@H+](C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000338380638 390662185 /nfs/dbraw/zinc/66/21/85/390662185.db2.gz MEFNBUXHQZCTMV-IXYNUQLISA-N 1 2 295.427 1.081 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000338380638 390662189 /nfs/dbraw/zinc/66/21/89/390662189.db2.gz MEFNBUXHQZCTMV-IXYNUQLISA-N 1 2 295.427 1.081 20 30 CDEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)CCO)c(Cl)c1 ZINC000136063697 390940952 /nfs/dbraw/zinc/94/09/52/390940952.db2.gz KBUBOFAJISQSMF-UHFFFAOYSA-N 1 2 285.731 1.258 20 30 CDEDLO CC(C)(C)c1ccc(NC(=O)CO[NH+]=C(N)CCO)cc1 ZINC000136066639 390940989 /nfs/dbraw/zinc/94/09/89/390940989.db2.gz SWGYYXYGFBQVPC-UHFFFAOYSA-N 1 2 293.367 1.594 20 30 CDEDLO N#Cc1ccnc(N2CC[C@H]([NH+]3CCOCC3)C2)c1Cl ZINC000236029620 390959497 /nfs/dbraw/zinc/95/94/97/390959497.db2.gz PKCARKFSPWWUAT-LBPRGKRZSA-N 1 2 292.770 1.518 20 30 CDEDLO Cc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)CCO)c(C)c1 ZINC000121310167 390883255 /nfs/dbraw/zinc/88/32/55/390883255.db2.gz INRLGNMFKYGJML-NSHDSACASA-N 1 2 279.340 1.302 20 30 CDEDLO Cc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)CCO)c(C)c1 ZINC000121310015 390883327 /nfs/dbraw/zinc/88/33/27/390883327.db2.gz INRLGNMFKYGJML-LLVKDONJSA-N 1 2 279.340 1.302 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000093226714 390900986 /nfs/dbraw/zinc/90/09/86/390900986.db2.gz GJAJFOQSYOLSML-ZDUSSCGKSA-N 1 2 274.368 1.837 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000093226714 390900987 /nfs/dbraw/zinc/90/09/87/390900987.db2.gz GJAJFOQSYOLSML-ZDUSSCGKSA-N 1 2 274.368 1.837 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000426881126 390909359 /nfs/dbraw/zinc/90/93/59/390909359.db2.gz HKFYZAXZAVQGMM-MGPQQGTHSA-N 1 2 277.368 1.617 20 30 CDEDLO Cc1ccc(CCO[NH+]=C(N)CN2CCOCC2)cc1 ZINC000123255776 390909581 /nfs/dbraw/zinc/90/95/81/390909581.db2.gz NSVHHUCMKMVMEC-UHFFFAOYSA-N 1 2 277.368 1.159 20 30 CDEDLO C#CCNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000151145606 390918217 /nfs/dbraw/zinc/91/82/17/390918217.db2.gz PHJJUHCFIYMHOP-GFCCVEGCSA-N 1 2 260.341 1.017 20 30 CDEDLO C[C@H](NC(=O)N1CCn2c[nH+]cc2C1)c1cnn(C)c1 ZINC000329553406 391012607 /nfs/dbraw/zinc/01/26/07/391012607.db2.gz BAQSAOGSFJJQJA-JTQLQIEISA-N 1 2 274.328 1.107 20 30 CDEDLO C[C@H](NC(=O)NCc1c[nH+]cn1C)[C@@H]1CCCOC1 ZINC000329602933 391027471 /nfs/dbraw/zinc/02/74/71/391027471.db2.gz LCWLVUUWRVFBNH-WDEREUQCSA-N 1 2 266.345 1.239 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H](CO)C1CCCC1 ZINC000329618599 391034059 /nfs/dbraw/zinc/03/40/59/391034059.db2.gz QOPUOCJAJYKICA-OLZOCXBDSA-N 1 2 292.383 1.253 20 30 CDEDLO [O-]C(N[C@@H](CO)C1CCCC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000329618599 391034062 /nfs/dbraw/zinc/03/40/62/391034062.db2.gz QOPUOCJAJYKICA-OLZOCXBDSA-N 1 2 292.383 1.253 20 30 CDEDLO N#Cc1cc(C[NH+]2CCN(c3ncccn3)CC2)ccc1F ZINC000160492467 391076844 /nfs/dbraw/zinc/07/68/44/391076844.db2.gz CYYLVMAJGJELKW-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO C=C(C)COCCNC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000345325403 391135244 /nfs/dbraw/zinc/13/52/44/391135244.db2.gz UAFCGWJONDJBQT-ZDUSSCGKSA-N 1 2 292.383 1.763 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2c2cc(C)on2)C1=O ZINC000374100772 391146981 /nfs/dbraw/zinc/14/69/81/391146981.db2.gz VHTZTMOJYRZAQN-KGLIPLIRSA-N 1 2 275.352 1.907 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2c2cc(C)on2)C1=O ZINC000374100772 391146985 /nfs/dbraw/zinc/14/69/85/391146985.db2.gz VHTZTMOJYRZAQN-KGLIPLIRSA-N 1 2 275.352 1.907 20 30 CDEDLO COC[C@H](C)O[NH+]=C(N)COc1cccc(C(=O)OC)c1 ZINC000267062443 391186498 /nfs/dbraw/zinc/18/64/98/391186498.db2.gz HETCPFOSAPNZSE-JTQLQIEISA-N 1 2 296.323 1.176 20 30 CDEDLO C#CCCCS(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000376317026 391222078 /nfs/dbraw/zinc/22/20/78/391222078.db2.gz REMCPTMRSSDWEO-NSHDSACASA-N 1 2 267.354 1.290 20 30 CDEDLO C#CCOCCC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000375947280 391207896 /nfs/dbraw/zinc/20/78/96/391207896.db2.gz MJXHJASIIMTWRW-ZDUSSCGKSA-N 1 2 275.352 1.166 20 30 CDEDLO C#CCCCC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000375950078 391208497 /nfs/dbraw/zinc/20/84/97/391208497.db2.gz ZPOFEITWEOVVOF-CYBMUJFWSA-N 1 2 259.353 1.930 20 30 CDEDLO Cn1c2ccccc2[nH+]c1CCN1CCOC[C@@H]1C#N ZINC000268084142 391210030 /nfs/dbraw/zinc/21/00/30/391210030.db2.gz QIWMKQGAKWNVKU-LBPRGKRZSA-N 1 2 270.336 1.340 20 30 CDEDLO Cc1ccccc1OC[C@H](O)C[N@@H+](C)[C@@H](C)CC#N ZINC000268318990 391213977 /nfs/dbraw/zinc/21/39/77/391213977.db2.gz SLCKIORNFRNOIX-UONOGXRCSA-N 1 2 262.353 1.969 20 30 CDEDLO Cc1ccccc1OC[C@H](O)C[N@H+](C)[C@@H](C)CC#N ZINC000268318990 391213984 /nfs/dbraw/zinc/21/39/84/391213984.db2.gz SLCKIORNFRNOIX-UONOGXRCSA-N 1 2 262.353 1.969 20 30 CDEDLO CC[C@H](C#N)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000270357789 391272114 /nfs/dbraw/zinc/27/21/14/391272114.db2.gz QQSCWPMQKDZDEW-CQSZACIVSA-N 1 2 287.363 1.551 20 30 CDEDLO N#C[C@H]1CSCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000271747801 391303442 /nfs/dbraw/zinc/30/34/42/391303442.db2.gz RQNXFIFOCBSLSH-LBPRGKRZSA-N 1 2 286.360 1.344 20 30 CDEDLO CC[C@H]1C[N@H+](CCNC(=O)c2cc(C#N)cs2)CCO1 ZINC000347623536 391304510 /nfs/dbraw/zinc/30/45/10/391304510.db2.gz NXGZUXVYHPFFJU-LBPRGKRZSA-N 1 2 293.392 1.460 20 30 CDEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2cc(C#N)cs2)CCO1 ZINC000347623536 391304512 /nfs/dbraw/zinc/30/45/12/391304512.db2.gz NXGZUXVYHPFFJU-LBPRGKRZSA-N 1 2 293.392 1.460 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCCCCC#N)C1 ZINC000339542161 391313105 /nfs/dbraw/zinc/31/31/05/391313105.db2.gz AHLMHYOMMDOQIP-LBPRGKRZSA-N 1 2 275.356 1.613 20 30 CDEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H](C)C(=O)NC(N)=O ZINC000411190248 391405566 /nfs/dbraw/zinc/40/55/66/391405566.db2.gz UTAJLNUTSHYEAZ-JTQLQIEISA-N 1 2 279.315 1.397 20 30 CDEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H](C)C(=O)NC(N)=O ZINC000411190248 391405570 /nfs/dbraw/zinc/40/55/70/391405570.db2.gz UTAJLNUTSHYEAZ-JTQLQIEISA-N 1 2 279.315 1.397 20 30 CDEDLO CCS(=O)(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000048903344 391380618 /nfs/dbraw/zinc/38/06/18/391380618.db2.gz BWIQPSGHNPDWMI-UHFFFAOYSA-N 1 2 293.392 1.026 20 30 CDEDLO CS(=O)(=O)N1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411133271 391395026 /nfs/dbraw/zinc/39/50/26/391395026.db2.gz ZOQBZQVAMHKUTH-UHFFFAOYSA-N 1 2 299.440 1.428 20 30 CDEDLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)NC(=O)NCC(C)C ZINC000330518227 391436398 /nfs/dbraw/zinc/43/63/98/391436398.db2.gz MYYGSPWSMGIPDE-AWEZNQCLSA-N 1 2 285.388 1.174 20 30 CDEDLO CC[C@@]1(C)COCC[N@H+]1CC(=O)NC(=O)NCC(C)C ZINC000330518227 391436399 /nfs/dbraw/zinc/43/63/99/391436399.db2.gz MYYGSPWSMGIPDE-AWEZNQCLSA-N 1 2 285.388 1.174 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCOC[C@@]1(C)CC ZINC000330504343 391439672 /nfs/dbraw/zinc/43/96/72/391439672.db2.gz DUAMSVROEHSQPC-CQSZACIVSA-N 1 2 267.373 1.249 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCOC[C@@]1(C)CC ZINC000330504343 391439675 /nfs/dbraw/zinc/43/96/75/391439675.db2.gz DUAMSVROEHSQPC-CQSZACIVSA-N 1 2 267.373 1.249 20 30 CDEDLO CC(C)c1cc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)no1 ZINC000330533506 391444530 /nfs/dbraw/zinc/44/45/30/391444530.db2.gz OFGRMTIUOBDNEV-NSHDSACASA-N 1 2 281.356 1.823 20 30 CDEDLO CC(C)c1cc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)no1 ZINC000330533506 391444532 /nfs/dbraw/zinc/44/45/32/391444532.db2.gz OFGRMTIUOBDNEV-NSHDSACASA-N 1 2 281.356 1.823 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@H](C(N)=O)O1 ZINC000439447396 391635984 /nfs/dbraw/zinc/63/59/84/391635984.db2.gz FTVHKJANKCDWHC-NOZJJQNGSA-N 1 2 293.754 1.286 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@H](C(N)=O)O1 ZINC000439447396 391635988 /nfs/dbraw/zinc/63/59/88/391635988.db2.gz FTVHKJANKCDWHC-NOZJJQNGSA-N 1 2 293.754 1.286 20 30 CDEDLO C#C[C@H](NC(=O)Cc1cn2ccccc2[nH+]1)C(C)C ZINC000281985296 391667973 /nfs/dbraw/zinc/66/79/73/391667973.db2.gz JPJGFIARWYWNJK-ZDUSSCGKSA-N 1 2 255.321 1.651 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC1(CC#N)CC1 ZINC000362330265 391718724 /nfs/dbraw/zinc/71/87/24/391718724.db2.gz OSPICZXBUHZDIU-NSHDSACASA-N 1 2 261.329 1.265 20 30 CDEDLO CC#CC[N@H+](C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000093332023 391679486 /nfs/dbraw/zinc/67/94/86/391679486.db2.gz VPZAMJVCVKIDON-GFCCVEGCSA-N 1 2 295.180 1.931 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000093332023 391679489 /nfs/dbraw/zinc/67/94/89/391679489.db2.gz VPZAMJVCVKIDON-GFCCVEGCSA-N 1 2 295.180 1.931 20 30 CDEDLO CCOC[C@H](O)C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341822046 130058247 /nfs/dbraw/zinc/05/82/47/130058247.db2.gz WTWHNJJLTBRRFF-CVEARBPZSA-N 1 2 290.363 1.329 20 30 CDEDLO CCOC[C@H](O)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341822046 130058250 /nfs/dbraw/zinc/05/82/50/130058250.db2.gz WTWHNJJLTBRRFF-CVEARBPZSA-N 1 2 290.363 1.329 20 30 CDEDLO COC(=O)C[C@@](C)([NH2+]CC1(C#N)CC1)c1ccccn1 ZINC000351824686 391759425 /nfs/dbraw/zinc/75/94/25/391759425.db2.gz SBDYQCJEZSDALJ-CQSZACIVSA-N 1 2 273.336 1.753 20 30 CDEDLO Cn1cc(C[NH+]2CCN(c3cccnn3)CC2)cc1C#N ZINC000191302360 130219096 /nfs/dbraw/zinc/21/90/96/130219096.db2.gz ULNOARWSKLNKIX-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC(=O)c3cccn32)C1 ZINC000329877032 391793352 /nfs/dbraw/zinc/79/33/52/391793352.db2.gz ISEXMAQUJZVNJE-DGCLKSJQSA-N 1 2 291.351 1.293 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC(=O)c3cccn32)C1 ZINC000329877032 391793353 /nfs/dbraw/zinc/79/33/53/391793353.db2.gz ISEXMAQUJZVNJE-DGCLKSJQSA-N 1 2 291.351 1.293 20 30 CDEDLO C=CCSCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000372757561 391863464 /nfs/dbraw/zinc/86/34/64/391863464.db2.gz MLEGQHYWWAMSRS-AWEZNQCLSA-N 1 2 298.452 1.665 20 30 CDEDLO C=CCSCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000372757561 391863469 /nfs/dbraw/zinc/86/34/69/391863469.db2.gz MLEGQHYWWAMSRS-AWEZNQCLSA-N 1 2 298.452 1.665 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000073871924 391891036 /nfs/dbraw/zinc/89/10/36/391891036.db2.gz CCDZUIWBZXBSDM-CYBMUJFWSA-N 1 2 268.401 1.910 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000073871924 391891037 /nfs/dbraw/zinc/89/10/37/391891037.db2.gz CCDZUIWBZXBSDM-CYBMUJFWSA-N 1 2 268.401 1.910 20 30 CDEDLO Cc1cc(F)cc2c1C[N@H+](CC(=O)NCC#N)CC2 ZINC000334406097 392126748 /nfs/dbraw/zinc/12/67/48/392126748.db2.gz JRUGSXVRQQPYBS-UHFFFAOYSA-N 1 2 261.300 1.132 20 30 CDEDLO Cc1cc(F)cc2c1C[N@@H+](CC(=O)NCC#N)CC2 ZINC000334406097 392126759 /nfs/dbraw/zinc/12/67/59/392126759.db2.gz JRUGSXVRQQPYBS-UHFFFAOYSA-N 1 2 261.300 1.132 20 30 CDEDLO Cc1nc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)ccc1C#N ZINC000548655728 392503178 /nfs/dbraw/zinc/50/31/78/392503178.db2.gz JMNBVTFRGRDYJI-LBPRGKRZSA-N 1 2 281.319 1.203 20 30 CDEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccccc1C#N ZINC000356070640 392739232 /nfs/dbraw/zinc/73/92/32/392739232.db2.gz LMQZWBZSNNLWSW-VXGBXAGGSA-N 1 2 293.392 1.271 20 30 CDEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccccc1C#N ZINC000356070640 392739239 /nfs/dbraw/zinc/73/92/39/392739239.db2.gz LMQZWBZSNNLWSW-VXGBXAGGSA-N 1 2 293.392 1.271 20 30 CDEDLO Cc1cc(N[C@@H]2CCO[C@@H](c3ccnn3C)C2)c(C#N)c[nH+]1 ZINC000519145082 392843794 /nfs/dbraw/zinc/84/37/94/392843794.db2.gz IZKXZJQGMBXJRG-CZUORRHYSA-N 1 2 297.362 1.749 20 30 CDEDLO CC[C@H]1C[N@H+](CCNc2ncc(C#N)cc2F)CCO1 ZINC000413268258 392831815 /nfs/dbraw/zinc/83/18/15/392831815.db2.gz OCTUNCCVTFSYBM-LBPRGKRZSA-N 1 2 278.331 1.615 20 30 CDEDLO CC[C@H]1C[N@@H+](CCNc2ncc(C#N)cc2F)CCO1 ZINC000413268258 392831821 /nfs/dbraw/zinc/83/18/21/392831821.db2.gz OCTUNCCVTFSYBM-LBPRGKRZSA-N 1 2 278.331 1.615 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000268956148 132093353 /nfs/dbraw/zinc/09/33/53/132093353.db2.gz USDIWENUKLWGHO-UHFFFAOYSA-N 1 2 280.397 1.729 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000268956148 132093354 /nfs/dbraw/zinc/09/33/54/132093354.db2.gz USDIWENUKLWGHO-UHFFFAOYSA-N 1 2 280.397 1.729 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)C1(C#N)CCCCC1 ZINC000170866759 393443897 /nfs/dbraw/zinc/44/38/97/393443897.db2.gz OQGLKNPGTHWGBS-UHFFFAOYSA-N 1 2 293.411 1.687 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)C1(C#N)CCCCC1 ZINC000170866759 393443902 /nfs/dbraw/zinc/44/39/02/393443902.db2.gz OQGLKNPGTHWGBS-UHFFFAOYSA-N 1 2 293.411 1.687 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c1F ZINC000223572092 140172640 /nfs/dbraw/zinc/17/26/40/140172640.db2.gz WSXGJQAYSXZXMO-CYBMUJFWSA-N 1 2 273.311 1.504 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)c1F ZINC000223572092 140172642 /nfs/dbraw/zinc/17/26/42/140172642.db2.gz WSXGJQAYSXZXMO-CYBMUJFWSA-N 1 2 273.311 1.504 20 30 CDEDLO C=C(Br)C[N@H+]1CCSC[C@H]1CO ZINC000307020061 397612452 /nfs/dbraw/zinc/61/24/52/397612452.db2.gz SNEPFNFPIUVQTA-MRVPVSSYSA-N 1 2 252.177 1.305 20 30 CDEDLO C=C(Br)C[N@@H+]1CCSC[C@H]1CO ZINC000307020061 397612454 /nfs/dbraw/zinc/61/24/54/397612454.db2.gz SNEPFNFPIUVQTA-MRVPVSSYSA-N 1 2 252.177 1.305 20 30 CDEDLO C=CCN(CCOC)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000359301654 397667602 /nfs/dbraw/zinc/66/76/02/397667602.db2.gz IDSRTOOTTBGUJF-LBPRGKRZSA-N 1 2 278.356 1.042 20 30 CDEDLO Cc1nc(N2CC[C@@](O)(CC#N)C2)c2c([nH+]1)CCCC2 ZINC000591976092 398128803 /nfs/dbraw/zinc/12/88/03/398128803.db2.gz SFURRYXFVIVJPW-HNNXBMFYSA-N 1 2 272.352 1.519 20 30 CDEDLO N#CCCn1ccc(NC(=O)NCCCn2cc[nH+]c2)n1 ZINC000118894147 398122341 /nfs/dbraw/zinc/12/23/41/398122341.db2.gz XBSDUORWHPWGPC-UHFFFAOYSA-N 1 2 287.327 1.205 20 30 CDEDLO N#Cc1ccc([C@@H]([NH2+]Cc2cccc(C#N)c2)C(N)=O)cc1 ZINC000115596817 147266056 /nfs/dbraw/zinc/26/60/56/147266056.db2.gz PNGFQDHRLBFZMY-MRXNPFEDSA-N 1 2 290.326 1.746 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccccc2OC)nn1 ZINC000656447012 413261010 /nfs/dbraw/zinc/26/10/10/413261010.db2.gz HMLGRGFVFCEILL-UHFFFAOYSA-N 1 2 270.336 1.448 20 30 CDEDLO Cc1nc(C(=O)NCc2ccc(N(C)C)[nH+]c2)ccc1C#N ZINC000345653221 152905425 /nfs/dbraw/zinc/90/54/25/152905425.db2.gz AETDVJWKFZIJLZ-UHFFFAOYSA-N 1 2 295.346 1.653 20 30 CDEDLO COC(=O)c1ccc(C[NH2+]Cc2ccc(C#N)o2)o1 ZINC000349327160 154090157 /nfs/dbraw/zinc/09/01/57/154090157.db2.gz FSHZOFHWOYYHID-UHFFFAOYSA-N 1 2 260.249 1.821 20 30 CDEDLO Cn1ncc(C(=O)Nc2cccc3[nH+]ccn32)c1C#N ZINC000359566385 158289769 /nfs/dbraw/zinc/28/97/69/158289769.db2.gz RLCBXGWLCSCRGI-UHFFFAOYSA-N 1 2 266.264 1.192 20 30 CDEDLO C=CCNC(=O)[C@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000007177439 170269847 /nfs/dbraw/zinc/26/98/47/170269847.db2.gz SJZNMIPYPWNUJL-QMMMGPOBSA-N 1 2 252.343 1.150 20 30 CDEDLO C[NH+](C)[C@@H](CNS(=O)(=O)CCCC#N)c1ccco1 ZINC000104106797 412121835 /nfs/dbraw/zinc/12/18/35/412121835.db2.gz GAZCVLCPOWELKN-NSHDSACASA-N 1 2 285.369 1.105 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1cc(C)on1 ZINC000285323848 196250357 /nfs/dbraw/zinc/25/03/57/196250357.db2.gz TYYOPDXWATZWTM-JTQLQIEISA-N 1 2 258.343 1.234 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660992470 413712349 /nfs/dbraw/zinc/71/23/49/413712349.db2.gz RYCWUCGQHBIHAP-CABCVRRESA-N 1 2 295.427 1.847 20 30 CDEDLO C=CC[N@H+](CC(=O)Nc1c(C)n[nH]c1C)[C@@H](C)COC ZINC000661248598 413920716 /nfs/dbraw/zinc/92/07/16/413920716.db2.gz VMWMDJJBOCRRTN-JTQLQIEISA-N 1 2 280.372 1.488 20 30 CDEDLO C=CC[N@@H+](CC(=O)Nc1c(C)n[nH]c1C)[C@@H](C)COC ZINC000661248598 413920729 /nfs/dbraw/zinc/92/07/29/413920729.db2.gz VMWMDJJBOCRRTN-JTQLQIEISA-N 1 2 280.372 1.488 20 30 CDEDLO C#CC[N@@H+](CCS(=O)(=O)N(C)C)Cc1ccccc1 ZINC000285784217 196397424 /nfs/dbraw/zinc/39/74/24/196397424.db2.gz SRVKOQFFQHMOSG-UHFFFAOYSA-N 1 2 280.393 1.013 20 30 CDEDLO C#CC[N@H+](CCS(=O)(=O)N(C)C)Cc1ccccc1 ZINC000285784217 196397425 /nfs/dbraw/zinc/39/74/25/196397425.db2.gz SRVKOQFFQHMOSG-UHFFFAOYSA-N 1 2 280.393 1.013 20 30 CDEDLO C=CCN(C(=O)NCCCCn1cc[nH+]c1)[C@@H](C)COC ZINC000663769343 414451933 /nfs/dbraw/zinc/45/19/33/414451933.db2.gz KEFGTDWEBITHQU-AWEZNQCLSA-N 1 2 294.399 1.896 20 30 CDEDLO C=CCOCCNc1nc2c(cnn2C(C)(C)C)c(N)[nH+]1 ZINC000663783103 414457868 /nfs/dbraw/zinc/45/78/68/414457868.db2.gz GLMWNWKQVVPDLI-UHFFFAOYSA-N 1 2 290.371 1.778 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cccc(CC#N)c1 ZINC000355091622 227389879 /nfs/dbraw/zinc/38/98/79/227389879.db2.gz VDUAQONPHYPIOH-CYBMUJFWSA-N 1 2 287.363 1.203 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cccc(CC#N)c1 ZINC000355091622 227389884 /nfs/dbraw/zinc/38/98/84/227389884.db2.gz VDUAQONPHYPIOH-CYBMUJFWSA-N 1 2 287.363 1.203 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCN(CCC#N)CC(C)(C)C ZINC000192725824 227275513 /nfs/dbraw/zinc/27/55/13/227275513.db2.gz OZAYGUIHKZOOCG-AWEZNQCLSA-N 1 2 267.417 1.969 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCN(CCC#N)CC(C)(C)C ZINC000192725824 227275517 /nfs/dbraw/zinc/27/55/17/227275517.db2.gz OZAYGUIHKZOOCG-AWEZNQCLSA-N 1 2 267.417 1.969 20 30 CDEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000329968432 228000785 /nfs/dbraw/zinc/00/07/85/228000785.db2.gz WAWBMNSYRFZKOF-BREBYQMCSA-N 1 2 295.383 1.907 20 30 CDEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000329968432 228000788 /nfs/dbraw/zinc/00/07/88/228000788.db2.gz WAWBMNSYRFZKOF-BREBYQMCSA-N 1 2 295.383 1.907 20 30 CDEDLO COC1(CNC(=O)N2CCn3cc[nH+]c3C2)CCCCC1 ZINC000330098233 228038998 /nfs/dbraw/zinc/03/89/98/228038998.db2.gz BOHPNESQSCXOEB-UHFFFAOYSA-N 1 2 292.383 1.962 20 30 CDEDLO [O-]C(NC[C@@H]1CCCCS1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330198291 228063482 /nfs/dbraw/zinc/06/34/82/228063482.db2.gz TUTQLAMYLSVTKE-NEPJUHHUSA-N 1 2 294.424 1.987 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@@H]1CCCCS1 ZINC000330198291 228063484 /nfs/dbraw/zinc/06/34/84/228063484.db2.gz TUTQLAMYLSVTKE-NEPJUHHUSA-N 1 2 294.424 1.987 20 30 CDEDLO C=CCCCC(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000374372924 260281803 /nfs/dbraw/zinc/28/18/03/260281803.db2.gz QLUXCZWWNGBFPV-CQSZACIVSA-N 1 2 259.353 1.911 20 30 CDEDLO C[C@@H]1CCN(C(=O)CSCC#N)C[C@H]1n1cc[nH+]c1 ZINC000125151860 260760129 /nfs/dbraw/zinc/76/01/29/260760129.db2.gz KLAHGAXPZUBMFX-VXGBXAGGSA-N 1 2 278.381 1.549 20 30 CDEDLO C[C@H](O[NH+]=C(N)CCO)C(=O)N1c2ccccc2C[C@H]1C ZINC000136070172 260923566 /nfs/dbraw/zinc/92/35/66/260923566.db2.gz ZRKAGDADBNAXLC-MNOVXSKESA-N 1 2 291.351 1.024 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(C)cc(C)c2)CC1 ZINC000490800758 261210740 /nfs/dbraw/zinc/21/07/40/261210740.db2.gz VZUAIGVDEQTEHW-UHFFFAOYSA-N 1 2 285.391 1.493 20 30 CDEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)C(C)C ZINC000490961282 261265425 /nfs/dbraw/zinc/26/54/25/261265425.db2.gz GHTVJLKAIQXEHW-CYBMUJFWSA-N 1 2 281.400 1.054 20 30 CDEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)C(C)C ZINC000490961282 261265426 /nfs/dbraw/zinc/26/54/26/261265426.db2.gz GHTVJLKAIQXEHW-CYBMUJFWSA-N 1 2 281.400 1.054 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000367604203 261316902 /nfs/dbraw/zinc/31/69/02/261316902.db2.gz SLOGIEXEHZAIHF-LSDHHAIUSA-N 1 2 294.395 1.067 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000367604203 261316904 /nfs/dbraw/zinc/31/69/04/261316904.db2.gz SLOGIEXEHZAIHF-LSDHHAIUSA-N 1 2 294.395 1.067 20 30 CDEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NC1CCOCC1 ZINC000111250648 262258389 /nfs/dbraw/zinc/25/83/89/262258389.db2.gz NIRCQNTYIXCEKF-UHFFFAOYSA-N 1 2 281.400 1.543 20 30 CDEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NC1CCOCC1 ZINC000111250648 262258390 /nfs/dbraw/zinc/25/83/90/262258390.db2.gz NIRCQNTYIXCEKF-UHFFFAOYSA-N 1 2 281.400 1.543 20 30 CDEDLO C[C@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000311716423 262339983 /nfs/dbraw/zinc/33/99/83/262339983.db2.gz WZHSALGDDCLOGL-UKRRQHHQSA-N 1 2 287.363 1.163 20 30 CDEDLO C[C@H](C#N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000311716423 262339985 /nfs/dbraw/zinc/33/99/85/262339985.db2.gz WZHSALGDDCLOGL-UKRRQHHQSA-N 1 2 287.363 1.163 20 30 CDEDLO N#CCN(Cc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000267411459 262929569 /nfs/dbraw/zinc/92/95/69/262929569.db2.gz UDNVCGONBQSAON-UHFFFAOYSA-N 1 2 253.309 1.755 20 30 CDEDLO Cc1nc(CC(N)=[NH+]OCc2ccc(CO)cc2)cs1 ZINC000272355064 263003391 /nfs/dbraw/zinc/00/33/91/263003391.db2.gz YOJDXAVDSZPBFG-UHFFFAOYSA-N 1 2 291.376 1.975 20 30 CDEDLO CO/N=C/C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000283039793 263080663 /nfs/dbraw/zinc/08/06/63/263080663.db2.gz RUDVDCFDAOZZKA-MHWRWJLKSA-N 1 2 295.770 1.616 20 30 CDEDLO C=CCN1CC[C@H](O[NH+]=C(N)Cc2csc(C)n2)C1=O ZINC000283544598 263083223 /nfs/dbraw/zinc/08/32/23/263083223.db2.gz NNORYZURSHNWFQ-NSHDSACASA-N 1 2 294.380 1.070 20 30 CDEDLO CCc1noc(C)c1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284423124 263086852 /nfs/dbraw/zinc/08/68/52/263086852.db2.gz OIKZSJRWZUVVGY-NSHDSACASA-N 1 2 253.302 1.513 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2cccs2)CC1 ZINC000121415931 263294079 /nfs/dbraw/zinc/29/40/79/263294079.db2.gz VZIXGWHQSKRKRF-GFCCVEGCSA-N 1 2 277.393 1.008 20 30 CDEDLO COCC1(C#N)CC[NH+](CC(=O)NC2CCCC2)CC1 ZINC000341973495 263372511 /nfs/dbraw/zinc/37/25/11/263372511.db2.gz GTJJKYLSGMTSRW-UHFFFAOYSA-N 1 2 279.384 1.297 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC000328645396 263831927 /nfs/dbraw/zinc/83/19/27/263831927.db2.gz GVYZHLLWDXOIAF-MFKMUULPSA-N 1 2 269.345 1.030 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC000328645396 263831929 /nfs/dbraw/zinc/83/19/29/263831929.db2.gz GVYZHLLWDXOIAF-MFKMUULPSA-N 1 2 269.345 1.030 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@]1(C)CCC(=O)NC1 ZINC000328675305 263837745 /nfs/dbraw/zinc/83/77/45/263837745.db2.gz QSEZGIMLAHNMHN-BXUZGUMPSA-N 1 2 283.372 1.420 20 30 CDEDLO CCc1nc(C(=O)N[C@H](C)C[NH+]2CCOCC2)co1 ZINC000330831663 264049658 /nfs/dbraw/zinc/04/96/58/264049658.db2.gz JVJAGAGWLDBYDG-SNVBAGLBSA-N 1 2 267.329 1.262 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)NCC[C@@H](C)O)cc2n1C ZINC000331082009 264116352 /nfs/dbraw/zinc/11/63/52/264116352.db2.gz YFANQIDHOKKREK-SECBINFHSA-N 1 2 261.325 1.957 20 30 CDEDLO CC(C)c1nn(C)cc1NC(=O)N(C)Cc1[nH+]ccn1C ZINC000331256045 264183193 /nfs/dbraw/zinc/18/31/93/264183193.db2.gz ZFQIWSLPWJQZHD-UHFFFAOYSA-N 1 2 290.371 1.955 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425453701 264328924 /nfs/dbraw/zinc/32/89/24/264328924.db2.gz QTFQKLMUMOCNGD-QWHCGFSZSA-N 1 2 294.399 1.089 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425453701 264328925 /nfs/dbraw/zinc/32/89/25/264328925.db2.gz QTFQKLMUMOCNGD-QWHCGFSZSA-N 1 2 294.399 1.089 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CC[C@H](n3cc(C)cn3)C2)nn1 ZINC000653685343 424428439 /nfs/dbraw/zinc/42/84/39/424428439.db2.gz YVAJGEYYQMACJM-HNNXBMFYSA-N 1 2 286.383 1.806 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)nn1 ZINC000653685343 424428448 /nfs/dbraw/zinc/42/84/48/424428448.db2.gz YVAJGEYYQMACJM-HNNXBMFYSA-N 1 2 286.383 1.806 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000652565368 424540772 /nfs/dbraw/zinc/54/07/72/424540772.db2.gz OXOPAQVPGHVZGO-NEPJUHHUSA-N 1 2 272.308 1.799 20 30 CDEDLO C#CCCCNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000363280076 267084784 /nfs/dbraw/zinc/08/47/84/267084784.db2.gz IGABIGUGVUJDJX-UHFFFAOYSA-N 1 2 283.335 1.480 20 30 CDEDLO COCCC[N@@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000369301809 267233271 /nfs/dbraw/zinc/23/32/71/267233271.db2.gz FOWCEYOBNWKTDR-UONOGXRCSA-N 1 2 252.358 1.950 20 30 CDEDLO COCCC[N@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000369301809 267233274 /nfs/dbraw/zinc/23/32/74/267233274.db2.gz FOWCEYOBNWKTDR-UONOGXRCSA-N 1 2 252.358 1.950 20 30 CDEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cc[nH]n2)CC1 ZINC000376649541 268007120 /nfs/dbraw/zinc/00/71/20/268007120.db2.gz VPOSAFGVLNJGON-UHFFFAOYSA-N 1 2 267.336 1.862 20 30 CDEDLO N#Cc1ccc(C(=O)NCCNc2cccc[nH+]2)cc1O ZINC000442633042 268198737 /nfs/dbraw/zinc/19/87/37/268198737.db2.gz HKQJNIYQHUIMPM-UHFFFAOYSA-N 1 2 282.303 1.501 20 30 CDEDLO CSC[C@](C)(O)CNc1cc(C)[nH+]cc1C#N ZINC000398992158 270366380 /nfs/dbraw/zinc/36/63/80/270366380.db2.gz LXXOXOZUPLEOMY-GFCCVEGCSA-N 1 2 251.355 1.210 20 30 CDEDLO CC1(C)CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1C#N ZINC000336149633 278213352 /nfs/dbraw/zinc/21/33/52/278213352.db2.gz VOXQQYWIKYODNF-STQMWFEESA-N 1 2 286.379 1.986 20 30 CDEDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cccc(C#N)c1 ZINC000350867406 288100809 /nfs/dbraw/zinc/10/08/09/288100809.db2.gz GSFWCPRCAYPWLF-NWDGAFQWSA-N 1 2 293.392 1.271 20 30 CDEDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cccc(C#N)c1 ZINC000350867406 288100813 /nfs/dbraw/zinc/10/08/13/288100813.db2.gz GSFWCPRCAYPWLF-NWDGAFQWSA-N 1 2 293.392 1.271 20 30 CDEDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)o1 ZINC000544512226 289639866 /nfs/dbraw/zinc/63/98/66/289639866.db2.gz HVXYWAPZSAGFIX-NXEZZACHSA-N 1 2 299.334 1.928 20 30 CDEDLO N#Cc1c(F)cccc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000547979069 289825668 /nfs/dbraw/zinc/82/56/68/289825668.db2.gz BFWQFHUBWKVOMJ-UHFFFAOYSA-N 1 2 270.267 1.591 20 30 CDEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H](C)C(C)C)c1C#N ZINC000556274086 290261953 /nfs/dbraw/zinc/26/19/53/290261953.db2.gz UKDJEMFSRKBHJD-JTQLQIEISA-N 1 2 277.372 1.086 20 30 CDEDLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)cc1C#N ZINC000334795734 294235049 /nfs/dbraw/zinc/23/50/49/294235049.db2.gz LXKPEXKLSBWLDI-CYBMUJFWSA-N 1 2 255.325 1.957 20 30 CDEDLO Cn1cc(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)cc1C#N ZINC000334795734 294235053 /nfs/dbraw/zinc/23/50/53/294235053.db2.gz LXKPEXKLSBWLDI-CYBMUJFWSA-N 1 2 255.325 1.957 20 30 CDEDLO Cn1cc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)cc1C#N ZINC000334795734 294235057 /nfs/dbraw/zinc/23/50/57/294235057.db2.gz LXKPEXKLSBWLDI-CYBMUJFWSA-N 1 2 255.325 1.957 20 30 CDEDLO NC(CCO)=[NH+]OCc1nc(-c2ccccc2F)no1 ZINC000186792691 327854681 /nfs/dbraw/zinc/85/46/81/327854681.db2.gz URIUNXWCOBZWKA-UHFFFAOYSA-N 1 2 280.259 1.047 20 30 CDEDLO CC(=O)N1CC[N@H+](Cc2ccc(C#N)cn2)C(C)(C)C1 ZINC000563352629 316263342 /nfs/dbraw/zinc/26/33/42/316263342.db2.gz JYCDLNCAKUQTIE-UHFFFAOYSA-N 1 2 272.352 1.396 20 30 CDEDLO CC(=O)N1CC[N@@H+](Cc2ccc(C#N)cn2)C(C)(C)C1 ZINC000563352629 316263344 /nfs/dbraw/zinc/26/33/44/316263344.db2.gz JYCDLNCAKUQTIE-UHFFFAOYSA-N 1 2 272.352 1.396 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCSc1cccnc1C#N ZINC000563414461 316301992 /nfs/dbraw/zinc/30/19/92/316301992.db2.gz VAFGPOVVFZJILO-LLVKDONJSA-N 1 2 263.366 1.766 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCSc1cccnc1C#N ZINC000563414461 316301994 /nfs/dbraw/zinc/30/19/94/316301994.db2.gz VAFGPOVVFZJILO-LLVKDONJSA-N 1 2 263.366 1.766 20 30 CDEDLO C=CCCCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000412356568 328109366 /nfs/dbraw/zinc/10/93/66/328109366.db2.gz CSALJZLZZNAOLC-ZDUSSCGKSA-N 1 2 282.384 1.344 20 30 CDEDLO C=CCCCC(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000412356568 328109367 /nfs/dbraw/zinc/10/93/67/328109367.db2.gz CSALJZLZZNAOLC-ZDUSSCGKSA-N 1 2 282.384 1.344 20 30 CDEDLO C[C@@H](NC(=O)NCCCCC#N)[C@@H](C)[NH+]1CCOCC1 ZINC000171689541 329078311 /nfs/dbraw/zinc/07/83/11/329078311.db2.gz VITSVUPCIMYSHT-CHWSQXEVSA-N 1 2 282.388 1.089 20 30 CDEDLO N#CC1(C(=O)NCc2cn3ccccc3[nH+]2)CCOCC1 ZINC000264516788 328160049 /nfs/dbraw/zinc/16/00/49/328160049.db2.gz CHQFOYSSZGWZJZ-UHFFFAOYSA-N 1 2 284.319 1.271 20 30 CDEDLO CC(C)CO[C@H](C)C(N)=NOCc1c[nH+]cn1C ZINC000267816506 328180457 /nfs/dbraw/zinc/18/04/57/328180457.db2.gz VSORKXUFESARGP-SNVBAGLBSA-N 1 2 254.334 1.270 20 30 CDEDLO CC(C)CO[C@@H](C)C(N)=NOCc1c[nH+]cn1C ZINC000267816505 328180500 /nfs/dbraw/zinc/18/05/00/328180500.db2.gz VSORKXUFESARGP-JTQLQIEISA-N 1 2 254.334 1.270 20 30 CDEDLO C[C@H](C#N)CN(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280909480 328236951 /nfs/dbraw/zinc/23/69/51/328236951.db2.gz FPKVALXTERXVSQ-SNVBAGLBSA-N 1 2 257.297 1.958 20 30 CDEDLO C[C@@H](NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1)c1cccs1 ZINC000284596537 328246388 /nfs/dbraw/zinc/24/63/88/328246388.db2.gz YHEPESJCKYGJIO-ZJUUUORDSA-N 1 2 297.380 1.393 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000305173388 328395808 /nfs/dbraw/zinc/39/58/08/328395808.db2.gz USVAUIBGVDKANS-MWLCHTKSSA-N 1 2 294.317 1.312 20 30 CDEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CC#N ZINC000331055336 328476652 /nfs/dbraw/zinc/47/66/52/328476652.db2.gz PANNRYKTSPLMHS-UHFFFAOYSA-N 1 2 260.297 1.079 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccnn1-c1ccccc1 ZINC000563815650 328520738 /nfs/dbraw/zinc/52/07/38/328520738.db2.gz PZBJZRHSOOVCQY-MRXNPFEDSA-N 1 2 297.362 1.446 20 30 CDEDLO Cc1ccn2cc(CNc3ccnc(C#N)n3)[nH+]c2c1 ZINC000583594836 325205304 /nfs/dbraw/zinc/20/53/04/325205304.db2.gz PHGBMJDXYWFSQW-UHFFFAOYSA-N 1 2 264.292 1.338 20 30 CDEDLO CC#CCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000536491088 327241486 /nfs/dbraw/zinc/24/14/86/327241486.db2.gz IIQFIZLHKTZGPE-AWEZNQCLSA-N 1 2 282.347 1.832 20 30 CDEDLO CC#CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000536491102 327241491 /nfs/dbraw/zinc/24/14/91/327241491.db2.gz IIQFIZLHKTZGPE-CQSZACIVSA-N 1 2 282.347 1.832 20 30 CDEDLO C[C@@H]1C[C@]1(C#N)C(=O)NCCCCNc1cccc[nH+]1 ZINC000448913865 327298362 /nfs/dbraw/zinc/29/83/62/327298362.db2.gz UCVJNFXBGMMGGK-IUODEOHRSA-N 1 2 272.352 1.940 20 30 CDEDLO C=CCCC(=O)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000560650764 327333608 /nfs/dbraw/zinc/33/36/08/327333608.db2.gz VIWDIWGNAOQEHX-CQSZACIVSA-N 1 2 298.452 1.619 20 30 CDEDLO C=CCOCCCC(=O)NCCCn1cc[nH+]c1 ZINC000173030946 329142024 /nfs/dbraw/zinc/14/20/24/329142024.db2.gz WKCBRTKDNIDUKN-UHFFFAOYSA-N 1 2 251.330 1.372 20 30 CDEDLO C#CCCCC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000192087096 329426609 /nfs/dbraw/zinc/42/66/09/329426609.db2.gz GSKGLGXLEBTZBJ-HNNXBMFYSA-N 1 2 296.436 1.114 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccc(OC)cc2OC)nn1 ZINC000424169224 330310644 /nfs/dbraw/zinc/31/06/44/330310644.db2.gz HPTKMTPUIHQSJE-UHFFFAOYSA-N 1 2 288.351 1.771 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])c2c(F)cccc2F)C1 ZINC000424216116 330328987 /nfs/dbraw/zinc/32/89/87/330328987.db2.gz HUISBWNXLSMBNA-RWEMILLDSA-N 1 2 279.290 1.773 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000089152034 330380949 /nfs/dbraw/zinc/38/09/49/330380949.db2.gz OAEUSTVWHGHREM-LSDHHAIUSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000089152034 330380950 /nfs/dbraw/zinc/38/09/50/330380950.db2.gz OAEUSTVWHGHREM-LSDHHAIUSA-N 1 2 296.411 1.291 20 30 CDEDLO CC#CC[NH+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C ZINC000429397614 330545435 /nfs/dbraw/zinc/54/54/35/330545435.db2.gz SAVRLORUWXADKD-CHWSQXEVSA-N 1 2 250.386 1.977 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000437617122 330705108 /nfs/dbraw/zinc/70/51/08/330705108.db2.gz XPBKVMOREMOGEA-HIFRSBDPSA-N 1 2 284.400 1.052 20 30 CDEDLO C=CCOC[C@H]([NH2+]C1CCC(COC)CC1)C(=O)OC ZINC000449298164 330912785 /nfs/dbraw/zinc/91/27/85/330912785.db2.gz GHDLXMJAZULVOS-RUXDESIVSA-N 1 2 285.384 1.525 20 30 CDEDLO COCCN(CC#N)Cc1c(C)[nH+]c2ccccn21 ZINC000453594012 331135295 /nfs/dbraw/zinc/13/52/95/331135295.db2.gz DIXIDFJDIJLDGS-UHFFFAOYSA-N 1 2 258.325 1.615 20 30 CDEDLO C=CC(C)(C)CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000454534496 331148225 /nfs/dbraw/zinc/14/82/25/331148225.db2.gz FDMMBHGYDULBJI-STQMWFEESA-N 1 2 283.416 1.607 20 30 CDEDLO C[C@@H]1CN(CC[N@H+](C)C[C@H](C#N)CCC#N)C[C@H](C)O1 ZINC000195312548 331168715 /nfs/dbraw/zinc/16/87/15/331168715.db2.gz WXQBFLFLEXGBOT-ZNMIVQPWSA-N 1 2 278.400 1.471 20 30 CDEDLO C[C@@H]1CN(CC[N@@H+](C)C[C@H](C#N)CCC#N)C[C@H](C)O1 ZINC000195312548 331168716 /nfs/dbraw/zinc/16/87/16/331168716.db2.gz WXQBFLFLEXGBOT-ZNMIVQPWSA-N 1 2 278.400 1.471 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000490850445 332120203 /nfs/dbraw/zinc/12/02/03/332120203.db2.gz AZJFMERTQIGOQT-UHFFFAOYSA-N 1 2 299.761 1.806 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000490850445 332120204 /nfs/dbraw/zinc/12/02/04/332120204.db2.gz AZJFMERTQIGOQT-UHFFFAOYSA-N 1 2 299.761 1.806 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000491268456 332178299 /nfs/dbraw/zinc/17/82/99/332178299.db2.gz ZNIFFMKOZQKQOX-LLVKDONJSA-N 1 2 276.336 1.554 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000491268456 332178301 /nfs/dbraw/zinc/17/83/01/332178301.db2.gz ZNIFFMKOZQKQOX-LLVKDONJSA-N 1 2 276.336 1.554 20 30 CDEDLO C#CCN(C(=O)NCCc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000491628430 332251374 /nfs/dbraw/zinc/25/13/74/332251374.db2.gz KPYIXWMPZBUZDK-UHFFFAOYSA-N 1 2 286.379 1.569 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)CCSCC)n1 ZINC000491651268 332264572 /nfs/dbraw/zinc/26/45/72/332264572.db2.gz FUBYXHZJEBBPLO-UHFFFAOYSA-N 1 2 281.425 1.718 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)CCSCC)n1 ZINC000491651268 332264573 /nfs/dbraw/zinc/26/45/73/332264573.db2.gz FUBYXHZJEBBPLO-UHFFFAOYSA-N 1 2 281.425 1.718 20 30 CDEDLO C#CCN(C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C)C1CC1 ZINC000491708132 332300584 /nfs/dbraw/zinc/30/05/84/332300584.db2.gz ZITFZHFCHXVHOO-UHFFFAOYSA-N 1 2 285.347 1.570 20 30 CDEDLO C#C[C@H]1COCCN1Cc1c[nH+]c2ccc(C)cn12 ZINC000491740356 332319317 /nfs/dbraw/zinc/31/93/17/332319317.db2.gz HKQHECLZMCMBBI-ZDUSSCGKSA-N 1 2 255.321 1.477 20 30 CDEDLO C#CC[NH+]1CCN(c2nc3ccccc3n(CC)c2=O)CC1 ZINC000491747025 332324469 /nfs/dbraw/zinc/32/44/69/332324469.db2.gz VXSUXBIBUDNHNM-UHFFFAOYSA-N 1 2 296.374 1.172 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000491779700 332344417 /nfs/dbraw/zinc/34/44/17/332344417.db2.gz KCIAFVYSPWETMG-CYBMUJFWSA-N 1 2 299.374 1.705 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000491779700 332344418 /nfs/dbraw/zinc/34/44/18/332344418.db2.gz KCIAFVYSPWETMG-CYBMUJFWSA-N 1 2 299.374 1.705 20 30 CDEDLO C#C[C@H](CCC)NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000491786387 332349062 /nfs/dbraw/zinc/34/90/62/332349062.db2.gz UOIQZJNZOIOMIF-BFHYXJOUSA-N 1 2 281.400 1.197 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)NC2(C[C@@H](C)C[C@H](C)C2)C1=O ZINC000491788316 332350539 /nfs/dbraw/zinc/35/05/39/332350539.db2.gz XOZWNROPDWJZLJ-AVGNSLFASA-N 1 2 291.395 1.644 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)NC2(C[C@@H](C)C[C@H](C)C2)C1=O ZINC000491788316 332350540 /nfs/dbraw/zinc/35/05/40/332350540.db2.gz XOZWNROPDWJZLJ-AVGNSLFASA-N 1 2 291.395 1.644 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCCNC1=O ZINC000491795949 332354830 /nfs/dbraw/zinc/35/48/30/332354830.db2.gz YERQINKAHWXQQM-CQSZACIVSA-N 1 2 260.312 1.540 20 30 CDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H]1CCCNC1=O ZINC000491795949 332354831 /nfs/dbraw/zinc/35/48/31/332354831.db2.gz YERQINKAHWXQQM-CQSZACIVSA-N 1 2 260.312 1.540 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000491795834 332354883 /nfs/dbraw/zinc/35/48/83/332354883.db2.gz XNRGUFDCYMUIGH-NSHDSACASA-N 1 2 275.308 1.795 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000491795834 332354884 /nfs/dbraw/zinc/35/48/84/332354884.db2.gz XNRGUFDCYMUIGH-NSHDSACASA-N 1 2 275.308 1.795 20 30 CDEDLO C#C[C@@H](CC)NC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000491813189 332365076 /nfs/dbraw/zinc/36/50/76/332365076.db2.gz ADZBDUFFGZMIQX-LBPRGKRZSA-N 1 2 273.336 1.473 20 30 CDEDLO COc1ccc(/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C)nc1 ZINC000493145295 332428126 /nfs/dbraw/zinc/42/81/26/332428126.db2.gz FVDRXOBEZXFXGO-DDJMYBDESA-N 1 2 288.351 1.063 20 30 CDEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H](CO)O1 ZINC000190114437 333203252 /nfs/dbraw/zinc/20/32/52/333203252.db2.gz UHXOWUBPHVYMDI-IUODEOHRSA-N 1 2 279.767 1.773 20 30 CDEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H](CO)O1 ZINC000190114437 333203253 /nfs/dbraw/zinc/20/32/53/333203253.db2.gz UHXOWUBPHVYMDI-IUODEOHRSA-N 1 2 279.767 1.773 20 30 CDEDLO C#CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000192985939 333241216 /nfs/dbraw/zinc/24/12/16/333241216.db2.gz AIDSVMJWCRUIHO-GFCCVEGCSA-N 1 2 293.392 1.054 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccc2c(c1)sc(=O)n2C ZINC000195024591 333243501 /nfs/dbraw/zinc/24/35/01/333243501.db2.gz OGBRLUDYAKXQFG-UHFFFAOYSA-N 1 2 270.357 1.668 20 30 CDEDLO N#CC1(c2ccccn2)CC[NH+](Cc2nccc(N)n2)CC1 ZINC000548798478 334174776 /nfs/dbraw/zinc/17/47/76/334174776.db2.gz XCIPRMRZXCBUES-UHFFFAOYSA-N 1 2 294.362 1.342 20 30 CDEDLO CC#CCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000154437516 334694505 /nfs/dbraw/zinc/69/45/05/334694505.db2.gz OGKFHLNDLJOGRO-UHFFFAOYSA-N 1 2 272.348 1.272 20 30 CDEDLO C#CC[NH+]1CCN(CN2C[C@@H](c3ccccc3)CC2=O)CC1 ZINC000156491500 334743403 /nfs/dbraw/zinc/74/34/03/334743403.db2.gz FXDFMJXIZHNTGW-KRWDZBQOSA-N 1 2 297.402 1.211 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(F)c(C#N)c1 ZINC000568888728 334845542 /nfs/dbraw/zinc/84/55/42/334845542.db2.gz BQZYTRZTNYLCQF-AWEZNQCLSA-N 1 2 274.299 1.271 20 30 CDEDLO Cc1csc(CCC(=O)N[C@](C)(C#N)C[NH+](C)C)n1 ZINC000576402592 335199291 /nfs/dbraw/zinc/19/92/91/335199291.db2.gz IDPRSTZXUMHNFD-CYBMUJFWSA-N 1 2 280.397 1.344 20 30 CDEDLO CCCCn1nnnc1C[NH+]1CCC(CCC#N)CC1 ZINC000579587961 335814167 /nfs/dbraw/zinc/81/41/67/335814167.db2.gz OKIXNTWIPPQSOM-UHFFFAOYSA-N 1 2 276.388 1.989 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCC(=C)C ZINC001234595410 1161139658 /nfs/dbraw/zinc/13/96/58/1161139658.db2.gz SEXANIABWBZTJE-CQSZACIVSA-N 1 2 293.411 1.178 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC(=C)C ZINC001234595410 1161139662 /nfs/dbraw/zinc/13/96/62/1161139662.db2.gz SEXANIABWBZTJE-CQSZACIVSA-N 1 2 293.411 1.178 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)SC)[C@H]2C1 ZINC001083052943 1161585217 /nfs/dbraw/zinc/58/52/17/1161585217.db2.gz HDNYUCYFOOWVIL-MJBXVCDLSA-N 1 2 296.436 1.063 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)SC)[C@H]2C1 ZINC001083052943 1161585224 /nfs/dbraw/zinc/58/52/24/1161585224.db2.gz HDNYUCYFOOWVIL-MJBXVCDLSA-N 1 2 296.436 1.063 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cncnc1 ZINC001716476002 1180238337 /nfs/dbraw/zinc/23/83/37/1180238337.db2.gz KDGZTJXUAHXCPS-SNVBAGLBSA-N 1 2 268.748 1.279 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cncnc1 ZINC001716476002 1180238342 /nfs/dbraw/zinc/23/83/42/1180238342.db2.gz KDGZTJXUAHXCPS-SNVBAGLBSA-N 1 2 268.748 1.279 20 30 CDEDLO C#CCCCC(=O)N1CC[NH+](Cc2ncccc2C)CC1 ZINC001112803039 1162054430 /nfs/dbraw/zinc/05/44/30/1162054430.db2.gz ODDALUWZERHFFK-UHFFFAOYSA-N 1 2 285.391 1.838 20 30 CDEDLO C#C[C@H](C)[NH2+][C@H](C(N)=O)c1ccc(Br)cc1F ZINC000184692459 518357435 /nfs/dbraw/zinc/35/74/35/518357435.db2.gz PDDQLKMOLAICJQ-CPCISQLKSA-N 1 2 299.143 1.726 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@@H](COC)c1ccc(CC)o1 ZINC000184789884 518893678 /nfs/dbraw/zinc/89/36/78/518893678.db2.gz GBXMVHNNJWQQGB-LBPRGKRZSA-N 1 2 266.341 1.421 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@](C)(NC(C)=O)C2CC2)CC1 ZINC001113529315 1162207063 /nfs/dbraw/zinc/20/70/63/1162207063.db2.gz MMGITVLHGIYUAJ-INIZCTEOSA-N 1 2 293.411 1.012 20 30 CDEDLO CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151375957 523210357 /nfs/dbraw/zinc/21/03/57/523210357.db2.gz RLVYYHCADBWKFM-OAHLLOKOSA-N 1 2 294.358 1.976 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000157406692 523522482 /nfs/dbraw/zinc/52/24/82/523522482.db2.gz FCASIBDBFHUDBS-DOMZBBRYSA-N 1 2 290.363 1.539 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000157406692 523522493 /nfs/dbraw/zinc/52/24/93/523522493.db2.gz FCASIBDBFHUDBS-DOMZBBRYSA-N 1 2 290.363 1.539 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc(Cl)c(C#N)n1 ZINC000067367956 524360353 /nfs/dbraw/zinc/36/03/53/524360353.db2.gz JVGFZGYPRNAKRV-SNVBAGLBSA-N 1 2 280.759 1.739 20 30 CDEDLO C=CCOCCC[N@@H+]1CCO[C@H](c2noc(C)n2)C1 ZINC000347974618 526757169 /nfs/dbraw/zinc/75/71/69/526757169.db2.gz USHZLXPARBGFNG-LBPRGKRZSA-N 1 2 267.329 1.344 20 30 CDEDLO C=CCOCCC[N@H+]1CCO[C@H](c2noc(C)n2)C1 ZINC000347974618 526757172 /nfs/dbraw/zinc/75/71/72/526757172.db2.gz USHZLXPARBGFNG-LBPRGKRZSA-N 1 2 267.329 1.344 20 30 CDEDLO CC1(C)C[C@@]1(C#N)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000331953988 527722498 /nfs/dbraw/zinc/72/24/98/527722498.db2.gz KMNWMQYTOSUBIO-AWEZNQCLSA-N 1 2 285.338 1.772 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000347351764 528694519 /nfs/dbraw/zinc/69/45/19/528694519.db2.gz NHFQJCJEDKIOPE-DGCLKSJQSA-N 1 2 255.337 1.428 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000347351764 528694523 /nfs/dbraw/zinc/69/45/23/528694523.db2.gz NHFQJCJEDKIOPE-DGCLKSJQSA-N 1 2 255.337 1.428 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCc2cccnc21 ZINC000329403743 538565224 /nfs/dbraw/zinc/56/52/24/538565224.db2.gz WUBFANUVKGKSQA-TZMCWYRMSA-N 1 2 289.379 1.789 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000730274623 574907382 /nfs/dbraw/zinc/90/73/82/574907382.db2.gz VEQFHYZLFIXITI-ZDUSSCGKSA-N 1 2 299.330 1.054 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000730274623 574907384 /nfs/dbraw/zinc/90/73/84/574907384.db2.gz VEQFHYZLFIXITI-ZDUSSCGKSA-N 1 2 299.330 1.054 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnn(C(C)C)c1 ZINC000730284303 574910057 /nfs/dbraw/zinc/91/00/57/574910057.db2.gz SBZORURMBSSTGT-ZDUSSCGKSA-N 1 2 260.341 1.500 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnn(C(C)C)c1 ZINC000730284303 574910058 /nfs/dbraw/zinc/91/00/58/574910058.db2.gz SBZORURMBSSTGT-ZDUSSCGKSA-N 1 2 260.341 1.500 20 30 CDEDLO Cc1ccc(CCC=Nn2c(=O)c(C)n[nH]c2=S)c[nH+]1 ZINC000774322026 575198862 /nfs/dbraw/zinc/19/88/62/575198862.db2.gz GCOHNVGFGUHOOR-UHFFFAOYSA-N 1 2 289.364 1.406 20 30 CDEDLO Cc1c[nH+]ccc1NC(=O)COc1cccc(C#N)c1 ZINC000730566157 574992636 /nfs/dbraw/zinc/99/26/36/574992636.db2.gz YUHPSKXVTXOYBQ-UHFFFAOYSA-N 1 2 267.288 1.701 20 30 CDEDLO C#CCOc1cccc(NC(=O)NCc2[nH+]ccn2C)c1 ZINC000731112710 575034447 /nfs/dbraw/zinc/03/44/47/575034447.db2.gz NBTUIDZPUWAMMT-UHFFFAOYSA-N 1 2 284.319 1.754 20 30 CDEDLO C=CCNC(=O)COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000741150830 576540355 /nfs/dbraw/zinc/54/03/55/576540355.db2.gz NYBDCXVCINUAQN-OAHLLOKOSA-N 1 2 290.363 1.525 20 30 CDEDLO C=CCNC(=O)COC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000741150830 576540357 /nfs/dbraw/zinc/54/03/57/576540357.db2.gz NYBDCXVCINUAQN-OAHLLOKOSA-N 1 2 290.363 1.525 20 30 CDEDLO C#CCCCNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000743693261 576651243 /nfs/dbraw/zinc/65/12/43/576651243.db2.gz KQCQOVXIYFUNPX-UHFFFAOYSA-N 1 2 275.352 1.520 20 30 CDEDLO C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1O)[C@H]1C[N@H+](C)CCO1 ZINC000769774344 575383089 /nfs/dbraw/zinc/38/30/89/575383089.db2.gz RNAJWTVHUPDVDK-UKJKULFPSA-N 1 2 293.323 1.438 20 30 CDEDLO C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1O)[C@H]1C[N@@H+](C)CCO1 ZINC000769774344 575383090 /nfs/dbraw/zinc/38/30/90/575383090.db2.gz RNAJWTVHUPDVDK-UKJKULFPSA-N 1 2 293.323 1.438 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)C=C2CCSCC2)CC1 ZINC000771627415 575598704 /nfs/dbraw/zinc/59/87/04/575598704.db2.gz OZFOIGPOKATYQN-UHFFFAOYSA-N 1 2 264.394 1.217 20 30 CDEDLO C#CCNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000736973508 575780154 /nfs/dbraw/zinc/78/01/54/575780154.db2.gz LNHIXTVYWJNQEV-UHFFFAOYSA-N 1 2 254.293 1.842 20 30 CDEDLO C#C[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000773557507 575825146 /nfs/dbraw/zinc/82/51/46/575825146.db2.gz LEYQWJIHQPAOFG-KGLIPLIRSA-N 1 2 290.367 1.095 20 30 CDEDLO Nc1[nH+]cccc1C=NNC(=S)NC1CCCCC1 ZINC000764659100 575931551 /nfs/dbraw/zinc/93/15/51/575931551.db2.gz NJTBDLXZXVAIED-UHFFFAOYSA-N 1 2 277.397 1.795 20 30 CDEDLO Nc1ncccc1C=[NH+]NC(=S)NC1CCCCC1 ZINC000764659100 575931554 /nfs/dbraw/zinc/93/15/54/575931554.db2.gz NJTBDLXZXVAIED-UHFFFAOYSA-N 1 2 277.397 1.795 20 30 CDEDLO N#Cc1c2c(cn(C[NH+]3CCCCC3)c1=O)CCC2 ZINC000766611647 576115736 /nfs/dbraw/zinc/11/57/36/576115736.db2.gz NUIPNKAVZJWACU-UHFFFAOYSA-N 1 2 257.337 1.652 20 30 CDEDLO Cn1ccc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)c1 ZINC000761856010 576598290 /nfs/dbraw/zinc/59/82/90/576598290.db2.gz XXLDZJKPQKAPRH-UHFFFAOYSA-N 1 2 267.296 1.447 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745081422 576713550 /nfs/dbraw/zinc/71/35/50/576713550.db2.gz YPIDOLQHDKSSOK-CHWSQXEVSA-N 1 2 295.383 1.022 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000745081422 576713555 /nfs/dbraw/zinc/71/35/55/576713555.db2.gz YPIDOLQHDKSSOK-CHWSQXEVSA-N 1 2 295.383 1.022 20 30 CDEDLO C#CCCCNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000745902340 576747551 /nfs/dbraw/zinc/74/75/51/576747551.db2.gz FXSJGQPSBCCNCR-CYBMUJFWSA-N 1 2 260.341 1.643 20 30 CDEDLO C#CCNC(=O)C[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000747531910 576874469 /nfs/dbraw/zinc/87/44/69/576874469.db2.gz GAFDQVKMTNRCMI-ODXCJYRJSA-N 1 2 292.404 1.166 20 30 CDEDLO C#CCNC(=O)C[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000747531910 576874470 /nfs/dbraw/zinc/87/44/70/576874470.db2.gz GAFDQVKMTNRCMI-ODXCJYRJSA-N 1 2 292.404 1.166 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]NCc1ccccc1Cl ZINC000747633580 576877644 /nfs/dbraw/zinc/87/76/44/576877644.db2.gz URUYVMFMSKLFSA-UHFFFAOYSA-N 1 2 291.742 1.845 20 30 CDEDLO COC(=O)c1cccc(CO[NH+]=C(N)[C@@H](C)OC)c1C#N ZINC000755817357 576963058 /nfs/dbraw/zinc/96/30/58/576963058.db2.gz KHJDWZBNCXZJBA-SECBINFHSA-N 1 2 291.307 1.378 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)/C=C\c2ccccc2C#N)CCO1 ZINC000750746339 577003945 /nfs/dbraw/zinc/00/39/45/577003945.db2.gz KHUOFKICRUNQOB-LMVHVUTASA-N 1 2 299.374 1.408 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)/C=C\c2ccccc2C#N)CCO1 ZINC000750746339 577003947 /nfs/dbraw/zinc/00/39/47/577003947.db2.gz KHUOFKICRUNQOB-LMVHVUTASA-N 1 2 299.374 1.408 20 30 CDEDLO N#CCOc1cccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000750845713 577009383 /nfs/dbraw/zinc/00/93/83/577009383.db2.gz RRGBTNDUVCPGLX-GFCCVEGCSA-N 1 2 296.330 1.987 20 30 CDEDLO C=CCNC(=S)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000759137414 577155002 /nfs/dbraw/zinc/15/50/02/577155002.db2.gz MXQVILGRDGCRGT-RYUDHWBXSA-N 1 2 264.398 1.827 20 30 CDEDLO COc1ccc(OC)c([C@H](O)C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000759363875 577173618 /nfs/dbraw/zinc/17/36/18/577173618.db2.gz RRVMENLQIUPAAY-SMDDNHRTSA-N 1 2 278.352 1.971 20 30 CDEDLO COc1ccc(OC)c([C@H](O)C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000759363875 577173620 /nfs/dbraw/zinc/17/36/20/577173620.db2.gz RRVMENLQIUPAAY-SMDDNHRTSA-N 1 2 278.352 1.971 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2coc(C3CC3)n2)CC1 ZINC000982100478 613159866 /nfs/dbraw/zinc/15/98/66/613159866.db2.gz MQCUJSYTJKSRKJ-UHFFFAOYSA-N 1 2 273.336 1.333 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2coc(C3CC3)n2)CC1 ZINC000982100478 613159867 /nfs/dbraw/zinc/15/98/67/613159867.db2.gz MQCUJSYTJKSRKJ-UHFFFAOYSA-N 1 2 273.336 1.333 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(C)nn2C)C1 ZINC000949744252 613295912 /nfs/dbraw/zinc/29/59/12/613295912.db2.gz FVCBANJIYNCEDZ-UHFFFAOYSA-N 1 2 276.384 1.451 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc[nH]c(=O)c2)C1 ZINC000949876912 613296929 /nfs/dbraw/zinc/29/69/29/613296929.db2.gz DTDZTIODNKIJNO-UHFFFAOYSA-N 1 2 275.352 1.510 20 30 CDEDLO CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000970917514 613459805 /nfs/dbraw/zinc/45/98/05/613459805.db2.gz YOQWUPBTCJRZDQ-OAHLLOKOSA-N 1 2 275.327 1.750 20 30 CDEDLO CC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000970917514 613459803 /nfs/dbraw/zinc/45/98/03/613459803.db2.gz YOQWUPBTCJRZDQ-OAHLLOKOSA-N 1 2 275.327 1.750 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2cncc(C)c2)CC1 ZINC000949494877 613564106 /nfs/dbraw/zinc/56/41/06/613564106.db2.gz VUDAEUMHYOPGGA-UHFFFAOYSA-N 1 2 271.364 1.100 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3=CCCC3)C2)C1 ZINC000972339218 613570126 /nfs/dbraw/zinc/57/01/26/613570126.db2.gz NSRKFWHPJCXQEO-KRWDZBQOSA-N 1 2 288.391 1.423 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3=CCCC3)C2)C1 ZINC000972339218 613570128 /nfs/dbraw/zinc/57/01/28/613570128.db2.gz NSRKFWHPJCXQEO-KRWDZBQOSA-N 1 2 288.391 1.423 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)CC)C2)C1 ZINC000972274188 613570475 /nfs/dbraw/zinc/57/04/75/613570475.db2.gz WZWQMJZSDDPFNV-HOCLYGCPSA-N 1 2 278.396 1.359 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)CC)C2)C1 ZINC000972274188 613570477 /nfs/dbraw/zinc/57/04/77/613570477.db2.gz WZWQMJZSDDPFNV-HOCLYGCPSA-N 1 2 278.396 1.359 20 30 CDEDLO C=CC(C)(C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000891266827 617393506 /nfs/dbraw/zinc/39/35/06/617393506.db2.gz HXUVQGIABVIQQN-GFCCVEGCSA-N 1 2 262.357 1.871 20 30 CDEDLO C=CC(C)(C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000891266827 617393507 /nfs/dbraw/zinc/39/35/07/617393507.db2.gz HXUVQGIABVIQQN-GFCCVEGCSA-N 1 2 262.357 1.871 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC000950360000 613654897 /nfs/dbraw/zinc/65/48/97/613654897.db2.gz MKTHCVDZXLWRHW-JKSUJKDBSA-N 1 2 285.391 1.904 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CO[C@H](C)C2)C1 ZINC000950673205 613655866 /nfs/dbraw/zinc/65/58/66/613655866.db2.gz SWQHUSWFYWZOMY-VXGBXAGGSA-N 1 2 252.358 1.130 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCc3n[nH]cc3C2)C1 ZINC000957127335 613655907 /nfs/dbraw/zinc/65/59/07/613655907.db2.gz LEQVQOGTIHWGGZ-LBPRGKRZSA-N 1 2 288.395 1.233 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccnc3ccncc32)C1 ZINC000950989254 613658555 /nfs/dbraw/zinc/65/85/55/613658555.db2.gz JARVYEUATJUTEG-UHFFFAOYSA-N 1 2 296.374 1.962 20 30 CDEDLO C=CC[N@H+]1CCCN(C(=O)c2cc(CC)[nH]n2)CC1 ZINC000980724309 613696448 /nfs/dbraw/zinc/69/64/48/613696448.db2.gz ZRXOOYFTVATUGU-UHFFFAOYSA-N 1 2 262.357 1.306 20 30 CDEDLO C=CC[N@@H+]1CCCN(C(=O)c2cc(CC)[nH]n2)CC1 ZINC000980724309 613696450 /nfs/dbraw/zinc/69/64/50/613696450.db2.gz ZRXOOYFTVATUGU-UHFFFAOYSA-N 1 2 262.357 1.306 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(Br)n[nH]2)CC1 ZINC000948607168 613714499 /nfs/dbraw/zinc/71/44/99/613714499.db2.gz DEIHZGQBKZSAQD-UHFFFAOYSA-N 1 2 299.172 1.116 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C)c(C)n2)CC1 ZINC000949317645 613715409 /nfs/dbraw/zinc/71/54/09/613715409.db2.gz BKSCHVJHUVVMLC-UHFFFAOYSA-N 1 2 259.353 1.642 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc[nH]c2CCC)CC1 ZINC000949778569 613715769 /nfs/dbraw/zinc/71/57/69/613715769.db2.gz NQEQHZYKLSZBJK-UHFFFAOYSA-N 1 2 261.369 1.911 20 30 CDEDLO C=CCn1cccc1C(=O)N1CC[NH+](CC=C)CC1 ZINC000948772712 613717339 /nfs/dbraw/zinc/71/73/39/613717339.db2.gz FMTQPRGLLMSSCZ-UHFFFAOYSA-N 1 2 259.353 1.618 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccn(-c3ccccc3)n2)CC1 ZINC000949084141 613717370 /nfs/dbraw/zinc/71/73/70/613717370.db2.gz XSPPPKHTWUQMDW-UHFFFAOYSA-N 1 2 296.374 1.816 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3C=CCC3)C2)C1 ZINC000972248332 613723735 /nfs/dbraw/zinc/72/37/35/613723735.db2.gz JKRKCAYRXPIHLD-WBVHZDCISA-N 1 2 290.407 1.832 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3C=CCC3)C2)C1 ZINC000972248332 613723736 /nfs/dbraw/zinc/72/37/36/613723736.db2.gz JKRKCAYRXPIHLD-WBVHZDCISA-N 1 2 290.407 1.832 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)C=CCC3)C2)C1 ZINC000972506734 613724488 /nfs/dbraw/zinc/72/44/88/613724488.db2.gz PKQYXMGZROONGL-SJORKVTESA-N 1 2 290.407 1.832 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)C=CCC3)C2)C1 ZINC000972506734 613724492 /nfs/dbraw/zinc/72/44/92/613724492.db2.gz PKQYXMGZROONGL-SJORKVTESA-N 1 2 290.407 1.832 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(CF)CCC3)C2)C1 ZINC000972561721 613725160 /nfs/dbraw/zinc/72/51/60/613725160.db2.gz WARJPAUMNNQWSP-MRXNPFEDSA-N 1 2 296.386 1.616 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(CF)CCC3)C2)C1 ZINC000972561721 613725161 /nfs/dbraw/zinc/72/51/61/613725161.db2.gz WARJPAUMNNQWSP-MRXNPFEDSA-N 1 2 296.386 1.616 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccncc3)C2)C1 ZINC000972224163 613727666 /nfs/dbraw/zinc/72/76/66/613727666.db2.gz KBVDOQHUEDYZHR-MRXNPFEDSA-N 1 2 287.363 1.185 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccncc3)C2)C1 ZINC000972224163 613727671 /nfs/dbraw/zinc/72/76/71/613727671.db2.gz KBVDOQHUEDYZHR-MRXNPFEDSA-N 1 2 287.363 1.185 20 30 CDEDLO CC[N@H+](CCC#N)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891577315 617486446 /nfs/dbraw/zinc/48/64/46/617486446.db2.gz BOCWSEWIZVDKGQ-NEPJUHHUSA-N 1 2 256.321 1.856 20 30 CDEDLO CC[N@@H+](CCC#N)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891577315 617486447 /nfs/dbraw/zinc/48/64/47/617486447.db2.gz BOCWSEWIZVDKGQ-NEPJUHHUSA-N 1 2 256.321 1.856 20 30 CDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)C1C[NH+](CC=C(C)C)C1 ZINC000949913146 614705594 /nfs/dbraw/zinc/70/55/94/614705594.db2.gz SEHOAAMQLFAPGH-UHFFFAOYSA-N 1 2 286.379 1.999 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H](C#N)C1 ZINC000925609743 617554078 /nfs/dbraw/zinc/55/40/78/617554078.db2.gz AQIBXLMYVPKQEW-ZIAGYGMSSA-N 1 2 294.399 1.042 20 30 CDEDLO CNC(=S)N(C)[NH+]=C(C)c1ccccc1N(C)C ZINC000841647053 617598731 /nfs/dbraw/zinc/59/87/31/617598731.db2.gz VEIMSXDZJUVXFI-UHFFFAOYSA-N 1 2 264.398 1.913 20 30 CDEDLO COc1ccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)o1 ZINC000893596909 617640125 /nfs/dbraw/zinc/64/01/25/617640125.db2.gz FOKLZDCKFNLXRP-UHFFFAOYSA-N 1 2 298.346 1.877 20 30 CDEDLO CC(=NNC1=[NH+]CCN1)c1cc(Cl)c(Cl)cc1O ZINC000841660380 618140410 /nfs/dbraw/zinc/14/04/10/618140410.db2.gz HZWACOOHIVYNMY-UHFFFAOYSA-N 1 2 287.150 1.972 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2nccn2-c2ccccc2)CCCN1O ZINC000895160154 619378045 /nfs/dbraw/zinc/37/80/45/619378045.db2.gz KPZHDKUCKBUFKQ-CYBMUJFWSA-N 1 2 286.335 1.342 20 30 CDEDLO C=CC[NH+]1CCC(NC(=O)c2cncc3nc[nH]c32)CC1 ZINC000896209303 620028047 /nfs/dbraw/zinc/02/80/47/620028047.db2.gz XMPITMLKYSJXII-UHFFFAOYSA-N 1 2 285.351 1.338 20 30 CDEDLO C=CCCCC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928638209 620286625 /nfs/dbraw/zinc/28/66/25/620286625.db2.gz CEJHJAAUWWODJO-CYBMUJFWSA-N 1 2 254.374 1.570 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000897877417 621182761 /nfs/dbraw/zinc/18/27/61/621182761.db2.gz VACUCELZYLQHOA-QGZVFWFLSA-N 1 2 298.386 1.605 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000897931506 621208849 /nfs/dbraw/zinc/20/88/49/621208849.db2.gz SPLPKLIEIJAVJL-RISCZKNCSA-N 1 2 292.383 1.233 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897931506 621208853 /nfs/dbraw/zinc/20/88/53/621208853.db2.gz SPLPKLIEIJAVJL-RISCZKNCSA-N 1 2 292.383 1.233 20 30 CDEDLO C#C[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CCOCC1 ZINC000898977030 622000749 /nfs/dbraw/zinc/00/07/49/622000749.db2.gz FBFHOBAIYYLGDD-AWEZNQCLSA-N 1 2 289.379 1.471 20 30 CDEDLO C=C1C[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000899900677 622517245 /nfs/dbraw/zinc/51/72/45/622517245.db2.gz RFXWYUUJPJETME-CYBMUJFWSA-N 1 2 256.346 1.134 20 30 CDEDLO C=C1C[NH+](C[C@H](O)COCc2ccccc2OC)C1 ZINC000899901392 622518089 /nfs/dbraw/zinc/51/80/89/622518089.db2.gz JXWLOJHCNOWZRF-AWEZNQCLSA-N 1 2 263.337 1.445 20 30 CDEDLO C=CCN1CC[C@@H](O[NH+]=C(N)Cc2ccccc2F)C1=O ZINC000902622765 625044191 /nfs/dbraw/zinc/04/41/91/625044191.db2.gz IKELVCTXTHYYMM-CYBMUJFWSA-N 1 2 291.326 1.654 20 30 CDEDLO Cn1ncc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)n1 ZINC000905078903 626393268 /nfs/dbraw/zinc/39/32/68/626393268.db2.gz YRIKWVFHYPHGEC-SNAWJCMRSA-N 1 2 277.353 1.229 20 30 CDEDLO C#CC[N@H+](CN1C(=O)C2(CCC2)[C@H]1[C@H]1CCCO1)C(C)C ZINC000905749142 626944737 /nfs/dbraw/zinc/94/47/37/626944737.db2.gz MVGBZFBWVWDYTF-HUUCEWRRSA-N 1 2 290.407 1.848 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)C2(CCC2)[C@H]1[C@H]1CCCO1)C(C)C ZINC000905749142 626944741 /nfs/dbraw/zinc/94/47/41/626944741.db2.gz MVGBZFBWVWDYTF-HUUCEWRRSA-N 1 2 290.407 1.848 20 30 CDEDLO C=C[C@@H](C)NC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906966618 627473842 /nfs/dbraw/zinc/47/38/42/627473842.db2.gz XKJMTFGRBNWCOV-CYBMUJFWSA-N 1 2 277.368 1.125 20 30 CDEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC000908649479 628314455 /nfs/dbraw/zinc/31/44/55/628314455.db2.gz MVRJDMPWCOSIPD-CQSZACIVSA-N 1 2 294.395 1.235 20 30 CDEDLO C#CCO[C@@H](C)C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000835287112 631607381 /nfs/dbraw/zinc/60/73/81/631607381.db2.gz BUSZQTVSCSZHOC-NSHDSACASA-N 1 2 262.309 1.229 20 30 CDEDLO C=CC[N@H+](CN1C(=O)c2cccc(N)c2C1=O)C(C)C ZINC000917481747 632220887 /nfs/dbraw/zinc/22/08/87/632220887.db2.gz YBCMRLITNHQBDM-UHFFFAOYSA-N 1 2 273.336 1.719 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)c2cccc(N)c2C1=O)C(C)C ZINC000917481747 632220888 /nfs/dbraw/zinc/22/08/88/632220888.db2.gz YBCMRLITNHQBDM-UHFFFAOYSA-N 1 2 273.336 1.719 20 30 CDEDLO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC001772506394 1158486956 /nfs/dbraw/zinc/48/69/56/1158486956.db2.gz TXTNUPPZDPFRTL-GFCCVEGCSA-N 1 2 287.367 1.851 20 30 CDEDLO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC001772506394 1158486960 /nfs/dbraw/zinc/48/69/60/1158486960.db2.gz TXTNUPPZDPFRTL-GFCCVEGCSA-N 1 2 287.367 1.851 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001114004473 1162399988 /nfs/dbraw/zinc/39/99/88/1162399988.db2.gz JBRUHJFFEPLSSR-IMRBUKKESA-N 1 2 261.325 1.187 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001114004473 1162399990 /nfs/dbraw/zinc/39/99/90/1162399990.db2.gz JBRUHJFFEPLSSR-IMRBUKKESA-N 1 2 261.325 1.187 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001114198769 1162451636 /nfs/dbraw/zinc/45/16/36/1162451636.db2.gz IFRIQAWPMCLUFY-NHAGDIPZSA-N 1 2 273.336 1.025 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001114198769 1162451637 /nfs/dbraw/zinc/45/16/37/1162451637.db2.gz IFRIQAWPMCLUFY-NHAGDIPZSA-N 1 2 273.336 1.025 20 30 CDEDLO Cc1conc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C#CC(C)C ZINC001114248175 1162459844 /nfs/dbraw/zinc/45/98/44/1162459844.db2.gz UYHINCAIZCUEBW-VIKVFOODSA-N 1 2 287.363 1.189 20 30 CDEDLO Cc1conc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C#CC(C)C ZINC001114248175 1162459849 /nfs/dbraw/zinc/45/98/49/1162459849.db2.gz UYHINCAIZCUEBW-VIKVFOODSA-N 1 2 287.363 1.189 20 30 CDEDLO N#CCc1cc[nH+]c(N2C[C@@H]3COC[C@H](C2)C3(F)F)c1 ZINC001167185214 1158541920 /nfs/dbraw/zinc/54/19/20/1158541920.db2.gz UTRPOROMSUDWGT-TXEJJXNPSA-N 1 2 279.290 1.866 20 30 CDEDLO C[C@@H]1CC[C@H](NC(=O)CSCC#N)C[N@@H+]1CCF ZINC001131831130 1163075549 /nfs/dbraw/zinc/07/55/49/1163075549.db2.gz YMZIQPIAPUINSX-MNOVXSKESA-N 1 2 273.377 1.182 20 30 CDEDLO C[C@@H]1CC[C@H](NC(=O)CSCC#N)C[N@H+]1CCF ZINC001131831130 1163075553 /nfs/dbraw/zinc/07/55/53/1163075553.db2.gz YMZIQPIAPUINSX-MNOVXSKESA-N 1 2 273.377 1.182 20 30 CDEDLO C[C@H](C#N)CNC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001649286874 1160077048 /nfs/dbraw/zinc/07/70/48/1160077048.db2.gz ACAFSPGQDJXYQI-LLVKDONJSA-N 1 2 275.356 1.469 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)/C=C(\C)CC)C2)C1 ZINC001755401693 1160144916 /nfs/dbraw/zinc/14/49/16/1160144916.db2.gz UVIBONDBOJCPMQ-OKACTXMXSA-N 1 2 290.407 1.669 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)/C=C(\C)CC)C2)C1 ZINC001755401693 1160144917 /nfs/dbraw/zinc/14/49/17/1160144917.db2.gz UVIBONDBOJCPMQ-OKACTXMXSA-N 1 2 290.407 1.669 20 30 CDEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccn(C)n2)C1 ZINC001131898381 1163100145 /nfs/dbraw/zinc/10/01/45/1163100145.db2.gz ABWSXJKUYOJCLV-KGLIPLIRSA-N 1 2 290.411 1.855 20 30 CDEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccn(C)n2)C1 ZINC001131898381 1163100151 /nfs/dbraw/zinc/10/01/51/1163100151.db2.gz ABWSXJKUYOJCLV-KGLIPLIRSA-N 1 2 290.411 1.855 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cnnn2C)C1 ZINC001131899080 1163100785 /nfs/dbraw/zinc/10/07/85/1163100785.db2.gz IFIGFNSESGLUIT-CHWSQXEVSA-N 1 2 291.399 1.250 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cnnn2C)C1 ZINC001131899080 1163100788 /nfs/dbraw/zinc/10/07/88/1163100788.db2.gz IFIGFNSESGLUIT-CHWSQXEVSA-N 1 2 291.399 1.250 20 30 CDEDLO C=CCOCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001131945874 1163119644 /nfs/dbraw/zinc/11/96/44/1163119644.db2.gz BZUFNOHBYSXAHJ-OLZOCXBDSA-N 1 2 286.803 1.911 20 30 CDEDLO C=CCOCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=C)Cl)C1 ZINC001131945874 1163119646 /nfs/dbraw/zinc/11/96/46/1163119646.db2.gz BZUFNOHBYSXAHJ-OLZOCXBDSA-N 1 2 286.803 1.911 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC ZINC001109677576 1162035902 /nfs/dbraw/zinc/03/59/02/1162035902.db2.gz ZVMPEQMWDJLKMV-DVZHBHJUSA-N 1 2 293.411 1.056 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC ZINC001109677576 1162035904 /nfs/dbraw/zinc/03/59/04/1162035904.db2.gz ZVMPEQMWDJLKMV-DVZHBHJUSA-N 1 2 293.411 1.056 20 30 CDEDLO CCOC(=O)CN(CCC#N)c1[nH+]ccc2[nH]ccc21 ZINC001157151714 1162046471 /nfs/dbraw/zinc/04/64/71/1162046471.db2.gz MGXVMBVTTRKJDO-UHFFFAOYSA-N 1 2 272.308 1.846 20 30 CDEDLO Cc1nc(N[C@H](C)[C@H](C)NC(=O)CSCC#N)cc[nH+]1 ZINC001112911066 1162057948 /nfs/dbraw/zinc/05/79/48/1162057948.db2.gz LTMGJLNITCLEOB-ZJUUUORDSA-N 1 2 293.396 1.347 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](OC)[C@@H](C)CC)CC1 ZINC001113044210 1162081813 /nfs/dbraw/zinc/08/18/13/1162081813.db2.gz MZYDVIRWMVHOLN-GJZGRUSLSA-N 1 2 298.427 1.394 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](CCC)OCC)CC1 ZINC001113235098 1162134792 /nfs/dbraw/zinc/13/47/92/1162134792.db2.gz SIJOTQOUBCXMQP-OAHLLOKOSA-N 1 2 298.427 1.538 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2occc2Cl)CC1 ZINC001113307719 1162150320 /nfs/dbraw/zinc/15/03/20/1162150320.db2.gz NEENSKGPEQMSAI-UHFFFAOYSA-N 1 2 298.770 1.893 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)CCOC)CC1 ZINC001113481991 1162185664 /nfs/dbraw/zinc/18/56/64/1162185664.db2.gz PRIYFZMKILOOBZ-UHFFFAOYSA-N 1 2 254.374 1.379 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](C)OC[C@H]2CCCO2)CC1 ZINC001113718608 1162266146 /nfs/dbraw/zinc/26/61/46/1162266146.db2.gz HIOSQPWLEISVEF-LSDHHAIUSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001133380482 1163663789 /nfs/dbraw/zinc/66/37/89/1163663789.db2.gz HEULIJFDNKBOHN-IINYFYTJSA-N 1 2 280.372 1.747 20 30 CDEDLO CCC[N@@H+]1CCCC[C@@H]1C(=O)[C@H](C#N)c1nccn1C ZINC001646842217 1168186991 /nfs/dbraw/zinc/18/69/91/1168186991.db2.gz MANDLCMBUMSVDF-QWHCGFSZSA-N 1 2 274.368 1.861 20 30 CDEDLO CCC[N@H+]1CCCC[C@@H]1C(=O)[C@H](C#N)c1nccn1C ZINC001646842217 1168186993 /nfs/dbraw/zinc/18/69/93/1168186993.db2.gz MANDLCMBUMSVDF-QWHCGFSZSA-N 1 2 274.368 1.861 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1CCCOc1cccc(Cl)c1 ZINC001580044459 1172331865 /nfs/dbraw/zinc/33/18/65/1172331865.db2.gz BRNIOLDNCVFZLY-ZDUSSCGKSA-N 1 2 279.771 1.906 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC1C[NH+](Cc2cncn2C)C1 ZINC001753409605 1184531544 /nfs/dbraw/zinc/53/15/44/1184531544.db2.gz UCQUDKYJWDPLAO-INIZCTEOSA-N 1 2 290.411 1.570 20 30 CDEDLO C#CCCCCC(=O)NC1C[NH+](C[C@H]2CC[C@H](C)O2)C1 ZINC001753374478 1185174621 /nfs/dbraw/zinc/17/46/21/1185174621.db2.gz FUQZZILRCZFBOI-DZGCQCFKSA-N 1 2 278.396 1.548 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)CCC(C)(F)F)C1 ZINC001753654900 1185288974 /nfs/dbraw/zinc/28/89/74/1185288974.db2.gz GAZHJMACIFPCGV-GFCCVEGCSA-N 1 2 290.354 1.815 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)CCC(C)(F)F)C1 ZINC001753654900 1185288978 /nfs/dbraw/zinc/28/89/78/1185288978.db2.gz GAZHJMACIFPCGV-GFCCVEGCSA-N 1 2 290.354 1.815 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C2(C)CC=CC2)C1 ZINC001753652485 1185289027 /nfs/dbraw/zinc/28/90/27/1185289027.db2.gz JEMCLXLCFYOTMF-CQSZACIVSA-N 1 2 278.396 1.736 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C2(C)CC=CC2)C1 ZINC001753652485 1185289030 /nfs/dbraw/zinc/28/90/30/1185289030.db2.gz JEMCLXLCFYOTMF-CQSZACIVSA-N 1 2 278.396 1.736 20 30 CDEDLO Cc1cc(C[N@@H+](C)CCN(C)C(=O)C#CC(C)C)nn1C ZINC001753852407 1185360829 /nfs/dbraw/zinc/36/08/29/1185360829.db2.gz MRMQJJXHYGPPOZ-UHFFFAOYSA-N 1 2 290.411 1.278 20 30 CDEDLO Cc1cc(C[N@H+](C)CCN(C)C(=O)C#CC(C)C)nn1C ZINC001753852407 1185360836 /nfs/dbraw/zinc/36/08/36/1185360836.db2.gz MRMQJJXHYGPPOZ-UHFFFAOYSA-N 1 2 290.411 1.278 20 30 CDEDLO CC#CC[NH2+]C[C@@H](NC(=O)C(F)C(F)(F)F)C1CC1 ZINC001754440234 1185618500 /nfs/dbraw/zinc/61/85/00/1185618500.db2.gz CARMWKSTZWBHFR-ZJUUUORDSA-N 1 2 280.265 1.395 20 30 CDEDLO CC#CC[NH2+]C[C@@H](NC(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC001754440234 1185618503 /nfs/dbraw/zinc/61/85/03/1185618503.db2.gz CARMWKSTZWBHFR-ZJUUUORDSA-N 1 2 280.265 1.395 20 30 CDEDLO CC(C)(C(=O)N1CC[C@](C)(CNCC#N)C1)c1c[nH+]c[nH]1 ZINC001754710856 1185711949 /nfs/dbraw/zinc/71/19/49/1185711949.db2.gz OKIUNKDKVITYMS-OAHLLOKOSA-N 1 2 289.383 1.039 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C1(C)CC(=C)C1 ZINC001754971672 1185774794 /nfs/dbraw/zinc/77/47/94/1185774794.db2.gz SDBQYRAMDFGVLS-CQSZACIVSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C1(C)CC(=C)C1 ZINC001754971672 1185774798 /nfs/dbraw/zinc/77/47/98/1185774798.db2.gz SDBQYRAMDFGVLS-CQSZACIVSA-N 1 2 278.396 1.736 20 30 CDEDLO Cc1c[nH]c(CCNC(=O)c2cccc(C#N)c2F)[nH+]1 ZINC001190557679 1164373724 /nfs/dbraw/zinc/37/37/24/1164373724.db2.gz UQOCJWSRQSIVJV-UHFFFAOYSA-N 1 2 272.283 1.701 20 30 CDEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cc[nH]n3)C2)CC1 ZINC001137123966 1166065750 /nfs/dbraw/zinc/06/57/50/1166065750.db2.gz JJPDVQHGERMMOH-UHFFFAOYSA-N 1 2 290.367 1.630 20 30 CDEDLO C#CCC[N@H+]1CCCN(C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000989641983 837439281 /nfs/dbraw/zinc/43/92/81/837439281.db2.gz OWVIWQZISZTWLJ-UHFFFAOYSA-N 1 2 297.362 1.129 20 30 CDEDLO C#CCC[N@@H+]1CCCN(C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000989641983 837439300 /nfs/dbraw/zinc/43/93/00/837439300.db2.gz OWVIWQZISZTWLJ-UHFFFAOYSA-N 1 2 297.362 1.129 20 30 CDEDLO C#C[C@@H](C)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000186014876 837536993 /nfs/dbraw/zinc/53/69/93/837536993.db2.gz ZYMSCYHXBIFQDZ-CYBMUJFWSA-N 1 2 286.379 1.893 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2[nH]nnc2C)[C@@H]1C ZINC000993677163 837573200 /nfs/dbraw/zinc/57/32/00/837573200.db2.gz YIPMUOSZJDSOAB-QWRGUYRKSA-N 1 2 297.790 1.448 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2[nH]nnc2C)[C@@H]1C ZINC000993677163 837573245 /nfs/dbraw/zinc/57/32/45/837573245.db2.gz YIPMUOSZJDSOAB-QWRGUYRKSA-N 1 2 297.790 1.448 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)c1cccc(SCC#N)c1 ZINC000355248857 1167339926 /nfs/dbraw/zinc/33/99/26/1167339926.db2.gz GWILREIKUQULIR-UHFFFAOYSA-N 1 2 286.360 1.966 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)cc(C)n2)C1 ZINC001035425090 837703606 /nfs/dbraw/zinc/70/36/06/837703606.db2.gz ZEBQYFFGVJQBTJ-AWEZNQCLSA-N 1 2 289.379 1.315 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)cc(C)n2)C1 ZINC001035425090 837703613 /nfs/dbraw/zinc/70/36/13/837703613.db2.gz ZEBQYFFGVJQBTJ-AWEZNQCLSA-N 1 2 289.379 1.315 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc[nH]c1)O2 ZINC001053601121 837710695 /nfs/dbraw/zinc/71/06/95/837710695.db2.gz BALYCUOQDQUZNI-ZDUSSCGKSA-N 1 2 275.352 1.164 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001028076248 837754739 /nfs/dbraw/zinc/75/47/39/837754739.db2.gz KBCBYNKXAAOPGW-ADEWGFFLSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001028076248 837754768 /nfs/dbraw/zinc/75/47/68/837754768.db2.gz KBCBYNKXAAOPGW-ADEWGFFLSA-N 1 2 256.777 1.976 20 30 CDEDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)C[C@H](O)CC#N ZINC000809571379 837791979 /nfs/dbraw/zinc/79/19/79/837791979.db2.gz PWSPXWSQFAZIKA-GFCCVEGCSA-N 1 2 291.351 1.230 20 30 CDEDLO CC[N@H+](CC(=O)Nc1ccccc1OC)C[C@H](O)CC#N ZINC000809571379 837791985 /nfs/dbraw/zinc/79/19/85/837791985.db2.gz PWSPXWSQFAZIKA-GFCCVEGCSA-N 1 2 291.351 1.230 20 30 CDEDLO N#CCC1CC[NH+](Cn2cc3[nH]cccc-3c2=O)CC1 ZINC000785507303 837805238 /nfs/dbraw/zinc/80/52/38/837805238.db2.gz KBGXNCSXJQMJOJ-UHFFFAOYSA-N 1 2 270.336 1.621 20 30 CDEDLO N#CCN[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000969491959 837830870 /nfs/dbraw/zinc/83/08/70/837830870.db2.gz XYHNSEHGRXDBAK-CQSZACIVSA-N 1 2 295.346 1.200 20 30 CDEDLO C[C@@H]1CO[C@@H]2C[N@H+](Cc3cc(C#N)ccc3O)C[C@H]12 ZINC001232677123 1167389970 /nfs/dbraw/zinc/38/99/70/1167389970.db2.gz BAAGTMFJAFXYTC-WDBKCZKBSA-N 1 2 258.321 1.731 20 30 CDEDLO C[C@@H]1CO[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3O)C[C@H]12 ZINC001232677123 1167389974 /nfs/dbraw/zinc/38/99/74/1167389974.db2.gz BAAGTMFJAFXYTC-WDBKCZKBSA-N 1 2 258.321 1.731 20 30 CDEDLO C=C[C@H](C)ONC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000845628215 835758999 /nfs/dbraw/zinc/75/89/99/835758999.db2.gz WIDUAVLCKXCAAO-NWDGAFQWSA-N 1 2 276.340 1.466 20 30 CDEDLO C#CCOCC[NH+]1CCN(C(=O)c2ccc(C)s2)CC1 ZINC000851734174 835785110 /nfs/dbraw/zinc/78/51/10/835785110.db2.gz OQOOSGDZZZLLSJ-UHFFFAOYSA-N 1 2 292.404 1.464 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001006979222 835787735 /nfs/dbraw/zinc/78/77/35/835787735.db2.gz SBUNTHYFLLIGPJ-LBPRGKRZSA-N 1 2 282.775 1.285 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001006979222 835787739 /nfs/dbraw/zinc/78/77/39/835787739.db2.gz SBUNTHYFLLIGPJ-LBPRGKRZSA-N 1 2 282.775 1.285 20 30 CDEDLO C[C@@H](CC(=O)OC1CCN(CC#N)CC1)n1cc[nH+]c1 ZINC000845498582 835846012 /nfs/dbraw/zinc/84/60/12/835846012.db2.gz ZGYUOTJGLLNECN-LBPRGKRZSA-N 1 2 276.340 1.365 20 30 CDEDLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCOc1ccccc1C#N ZINC000930832482 835850289 /nfs/dbraw/zinc/85/02/89/835850289.db2.gz JEFOFBTXPZBFKS-XQQFMLRXSA-N 1 2 287.363 1.534 20 30 CDEDLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCOc1ccccc1C#N ZINC000930832482 835850294 /nfs/dbraw/zinc/85/02/94/835850294.db2.gz JEFOFBTXPZBFKS-XQQFMLRXSA-N 1 2 287.363 1.534 20 30 CDEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C)OC)CC2 ZINC001035663092 835859131 /nfs/dbraw/zinc/85/91/31/835859131.db2.gz IMKGSKSWWMFHQW-LBPRGKRZSA-N 1 2 286.803 1.698 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001038248288 835877224 /nfs/dbraw/zinc/87/72/24/835877224.db2.gz VAYZWMMIUDIWQB-ZIAGYGMSSA-N 1 2 260.381 1.781 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001038248288 835877228 /nfs/dbraw/zinc/87/72/28/835877228.db2.gz VAYZWMMIUDIWQB-ZIAGYGMSSA-N 1 2 260.381 1.781 20 30 CDEDLO C[C@@H]([NH2+]CC(=O)NCCC#N)c1c(F)cncc1F ZINC000796637631 835899136 /nfs/dbraw/zinc/89/91/36/835899136.db2.gz FOHSGCOXQRTBNR-MRVPVSSYSA-N 1 2 268.267 1.040 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)CN2CCCCCCC2=O)C1 ZINC001042851061 835901425 /nfs/dbraw/zinc/90/14/25/835901425.db2.gz FYRCWQNSFSPHLM-UHFFFAOYSA-N 1 2 293.411 1.108 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ncccc2OCC)C1 ZINC001044383626 835904481 /nfs/dbraw/zinc/90/44/81/835904481.db2.gz SLAPFQJSHBPLKQ-UHFFFAOYSA-N 1 2 289.379 1.813 20 30 CDEDLO Cn1ncc(C=[NH+]Nc2ccnc3ccccc32)c1N ZINC000814841225 835931745 /nfs/dbraw/zinc/93/17/45/835931745.db2.gz HIWNEKDUJIWXAQ-UHFFFAOYSA-N 1 2 266.308 1.418 20 30 CDEDLO Cn1ncc(C=[NH+][N-]c2cc[nH+]c3ccccc23)c1N ZINC000814841225 835931756 /nfs/dbraw/zinc/93/17/56/835931756.db2.gz HIWNEKDUJIWXAQ-UHFFFAOYSA-N 1 2 266.308 1.418 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2nnc(C)o2)C1 ZINC001033058897 835961105 /nfs/dbraw/zinc/96/11/05/835961105.db2.gz SPUMJHMQRNAPJX-LLVKDONJSA-N 1 2 298.774 1.206 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2nnc(C)o2)C1 ZINC001033058897 835961099 /nfs/dbraw/zinc/96/10/99/835961099.db2.gz SPUMJHMQRNAPJX-LLVKDONJSA-N 1 2 298.774 1.206 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C1CCCCCC1 ZINC000884062793 835972172 /nfs/dbraw/zinc/97/21/72/835972172.db2.gz BCQVSYNLGKPMGS-ZDUSSCGKSA-N 1 2 282.384 1.614 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)CCCC(=O)C2CC2)CC1 ZINC000822935566 836071056 /nfs/dbraw/zinc/07/10/56/836071056.db2.gz UWSSQTRPZXYIJN-UHFFFAOYSA-N 1 2 276.380 1.303 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2nn(C)cc2C)C1 ZINC001033072169 836091076 /nfs/dbraw/zinc/09/10/76/836091076.db2.gz SFKRERWGDYKDDX-LBPRGKRZSA-N 1 2 296.802 1.627 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2nn(C)cc2C)C1 ZINC001033072169 836091086 /nfs/dbraw/zinc/09/10/86/836091086.db2.gz SFKRERWGDYKDDX-LBPRGKRZSA-N 1 2 296.802 1.627 20 30 CDEDLO Cc1cc(C[N@@H+]2CCCN(C(=O)C#CC3CC3)CC2)on1 ZINC000981124246 836102720 /nfs/dbraw/zinc/10/27/20/836102720.db2.gz IXSZSCMKXGKCSL-UHFFFAOYSA-N 1 2 287.363 1.431 20 30 CDEDLO Cc1cc(C[N@H+]2CCCN(C(=O)C#CC3CC3)CC2)on1 ZINC000981124246 836102731 /nfs/dbraw/zinc/10/27/31/836102731.db2.gz IXSZSCMKXGKCSL-UHFFFAOYSA-N 1 2 287.363 1.431 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3cccnn32)C1 ZINC001044019670 836120286 /nfs/dbraw/zinc/12/02/86/836120286.db2.gz DPLCYPKLRWEMNK-UHFFFAOYSA-N 1 2 282.347 1.114 20 30 CDEDLO Cc1nocc1C[N@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC000980848381 836144159 /nfs/dbraw/zinc/14/41/59/836144159.db2.gz VNEZPPICHRTISC-NSHDSACASA-N 1 2 276.340 1.177 20 30 CDEDLO Cc1nocc1C[N@@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC000980848381 836144165 /nfs/dbraw/zinc/14/41/65/836144165.db2.gz VNEZPPICHRTISC-NSHDSACASA-N 1 2 276.340 1.177 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000884401190 836199089 /nfs/dbraw/zinc/19/90/89/836199089.db2.gz HIOWWJVHVSMDCT-DGAVXFQQSA-N 1 2 296.411 1.622 20 30 CDEDLO C=C(Br)C[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000821323478 836200783 /nfs/dbraw/zinc/20/07/83/836200783.db2.gz YRCIAHXFDSSDLV-VIFPVBQESA-N 1 2 261.163 1.448 20 30 CDEDLO C=C(Br)C[N@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000821323478 836200802 /nfs/dbraw/zinc/20/08/02/836200802.db2.gz YRCIAHXFDSSDLV-VIFPVBQESA-N 1 2 261.163 1.448 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC001015909462 836217452 /nfs/dbraw/zinc/21/74/52/836217452.db2.gz XEKOIHYJQBAUIY-YPMHNXCESA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC001015909462 836217460 /nfs/dbraw/zinc/21/74/60/836217460.db2.gz XEKOIHYJQBAUIY-YPMHNXCESA-N 1 2 272.776 1.356 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccs1)O2 ZINC001053568981 836242694 /nfs/dbraw/zinc/24/26/94/836242694.db2.gz QJTZFFSVOHMMRO-LBPRGKRZSA-N 1 2 292.404 1.897 20 30 CDEDLO CC1(C)C(=O)N(C[NH+]2CCC(C#N)CC2)[C@H]1C1CC1 ZINC000811739018 836252577 /nfs/dbraw/zinc/25/25/77/836252577.db2.gz IQJLMWPDOFZWJB-ZDUSSCGKSA-N 1 2 261.369 1.826 20 30 CDEDLO C#C[C@](C)(CC)[NH2+]CC(=O)NC(=O)c1ccc(OC)cc1 ZINC000852100592 836275033 /nfs/dbraw/zinc/27/50/33/836275033.db2.gz IMIQJWKEMPLHLJ-MRXNPFEDSA-N 1 2 288.347 1.343 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1CCC(C)C ZINC000884325621 836303642 /nfs/dbraw/zinc/30/36/42/836303642.db2.gz WBKBYDWZLBQLFX-KBPBESRZSA-N 1 2 296.411 1.860 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC1(C)C ZINC001032573857 836306178 /nfs/dbraw/zinc/30/61/78/836306178.db2.gz UWGVMLDZWXBGGV-IHRRRGAJSA-N 1 2 260.381 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC1(C)C ZINC001032573857 836306189 /nfs/dbraw/zinc/30/61/89/836306189.db2.gz UWGVMLDZWXBGGV-IHRRRGAJSA-N 1 2 260.381 1.731 20 30 CDEDLO 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C#CCC[N@H+](CCOC)Cc1cc(COC)on1 ZINC000827826419 836948580 /nfs/dbraw/zinc/94/85/80/836948580.db2.gz FYQUYDJZKBAWSH-UHFFFAOYSA-N 1 2 252.314 1.293 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(OC)c(Cl)c1 ZINC001039013767 836960481 /nfs/dbraw/zinc/96/04/81/836960481.db2.gz WJOAFIMFQWWIDZ-LBPRGKRZSA-N 1 2 292.766 1.786 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OC)c(Cl)c1 ZINC001039013767 836960488 /nfs/dbraw/zinc/96/04/88/836960488.db2.gz WJOAFIMFQWWIDZ-LBPRGKRZSA-N 1 2 292.766 1.786 20 30 CDEDLO C#CCC[C@H](O)CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000836633922 837000529 /nfs/dbraw/zinc/00/05/29/837000529.db2.gz WJKDNUKPPPUMJI-ZDUSSCGKSA-N 1 2 275.352 1.903 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCCO2)C1 ZINC001010624023 837004049 /nfs/dbraw/zinc/00/40/49/837004049.db2.gz DSBYQPIHWRSTBN-VXGBXAGGSA-N 1 2 272.776 1.499 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCCO2)C1 ZINC001010624023 837004054 /nfs/dbraw/zinc/00/40/54/837004054.db2.gz DSBYQPIHWRSTBN-VXGBXAGGSA-N 1 2 272.776 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ZINC001033318604 837853036 /nfs/dbraw/zinc/85/30/36/837853036.db2.gz OMSXSHINVYNAIH-SNVBAGLBSA-N 1 2 283.763 1.012 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2nc(Cl)cs2)C1 ZINC001015610165 837860385 /nfs/dbraw/zinc/86/03/85/837860385.db2.gz RXPVGKQVTCXHKN-VIFPVBQESA-N 1 2 283.784 1.624 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2nc(Cl)cs2)C1 ZINC001015610165 837860386 /nfs/dbraw/zinc/86/03/86/837860386.db2.gz RXPVGKQVTCXHKN-VIFPVBQESA-N 1 2 283.784 1.624 20 30 CDEDLO CCOC(=O)C[C@@H](O)CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000863455614 837906114 /nfs/dbraw/zinc/90/61/14/837906114.db2.gz PHBFEFRCAMSMIC-LLVKDONJSA-N 1 2 298.314 1.085 20 30 CDEDLO N#CC1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCC1 ZINC000822962876 837966319 /nfs/dbraw/zinc/96/63/19/837966319.db2.gz MPRAHHMYFIIUNI-UHFFFAOYSA-N 1 2 254.293 1.987 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2nc3c(s2)CCC3)C1 ZINC001007939569 837977908 /nfs/dbraw/zinc/97/79/08/837977908.db2.gz LQCCDCKHGIKSHI-LLVKDONJSA-N 1 2 289.404 1.459 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2nc3c(s2)CCC3)C1 ZINC001007939569 837977934 /nfs/dbraw/zinc/97/79/34/837977934.db2.gz LQCCDCKHGIKSHI-LLVKDONJSA-N 1 2 289.404 1.459 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@](C)(C#N)CC ZINC000928647504 837996472 /nfs/dbraw/zinc/99/64/72/837996472.db2.gz LIOQHDKTRFAKCR-OCCSQVGLSA-N 1 2 267.373 1.153 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C\C3CC3)C[C@H]21 ZINC001074201192 838005311 /nfs/dbraw/zinc/00/53/11/838005311.db2.gz HNYQLAMQSAFERC-JTUDCUDASA-N 1 2 288.391 1.278 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C\C3CC3)C[C@H]21 ZINC001074201192 838005325 /nfs/dbraw/zinc/00/53/25/838005325.db2.gz HNYQLAMQSAFERC-JTUDCUDASA-N 1 2 288.391 1.278 20 30 CDEDLO C=CCCCC(=O)N1CC[NH+]([C@@H]2CCN(C(C)=O)C2)CC1 ZINC001065674946 838024753 /nfs/dbraw/zinc/02/47/53/838024753.db2.gz JGROQRUUCSIJGO-OAHLLOKOSA-N 1 2 293.411 1.108 20 30 CDEDLO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cnn(C)n1 ZINC000926551096 838112351 /nfs/dbraw/zinc/11/23/51/838112351.db2.gz RNJSMIWSSMRHBI-SECBINFHSA-N 1 2 259.288 1.677 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2ccccc21 ZINC001038403095 838119078 /nfs/dbraw/zinc/11/90/78/838119078.db2.gz BJDTZHIUMUMLNF-RDJZCZTQSA-N 1 2 282.387 1.930 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2ccccc21 ZINC001038403095 838119091 /nfs/dbraw/zinc/11/90/91/838119091.db2.gz BJDTZHIUMUMLNF-RDJZCZTQSA-N 1 2 282.387 1.930 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC)c1C ZINC001032581673 838120903 /nfs/dbraw/zinc/12/09/03/838120903.db2.gz KHTBUSCHSBNYMD-KBPBESRZSA-N 1 2 271.364 1.348 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC)c1C ZINC001032581673 838120919 /nfs/dbraw/zinc/12/09/19/838120919.db2.gz KHTBUSCHSBNYMD-KBPBESRZSA-N 1 2 271.364 1.348 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001032641791 838179886 /nfs/dbraw/zinc/17/98/86/838179886.db2.gz JLEXRHCCXSFPFB-LUKYLMHMSA-N 1 2 295.386 1.494 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001032641791 838179893 /nfs/dbraw/zinc/17/98/93/838179893.db2.gz JLEXRHCCXSFPFB-LUKYLMHMSA-N 1 2 295.386 1.494 20 30 CDEDLO C=C(C)C[C@H](CO)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000883006079 838802351 /nfs/dbraw/zinc/80/23/51/838802351.db2.gz ILDYQQCEXOBDRQ-GHMZBOCLSA-N 1 2 266.345 1.008 20 30 CDEDLO C=C(C)C[C@H](CO)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000883006079 838802352 /nfs/dbraw/zinc/80/23/52/838802352.db2.gz ILDYQQCEXOBDRQ-GHMZBOCLSA-N 1 2 266.345 1.008 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N(C)CC)cc1 ZINC001032814705 838823402 /nfs/dbraw/zinc/82/34/02/838823402.db2.gz TUNMJYSMVUUEOP-IRXDYDNUSA-N 1 2 297.402 1.675 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N(C)CC)cc1 ZINC001032814705 838823410 /nfs/dbraw/zinc/82/34/10/838823410.db2.gz TUNMJYSMVUUEOP-IRXDYDNUSA-N 1 2 297.402 1.675 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2nccc3cccnc32)C1 ZINC001030460738 838836117 /nfs/dbraw/zinc/83/61/17/838836117.db2.gz NBMFKFHMCITDHH-UHFFFAOYSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn(CC3CC3)c2)C1 ZINC001044151022 838881593 /nfs/dbraw/zinc/88/15/93/838881593.db2.gz SXVLOQOXRDFSJH-UHFFFAOYSA-N 1 2 286.379 1.073 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2sc(C)nc2C)C1 ZINC001009455960 838885395 /nfs/dbraw/zinc/88/53/95/838885395.db2.gz SXOZSNCRZWQCHX-CYBMUJFWSA-N 1 2 291.420 1.977 20 30 CDEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2sc(C)nc2C)C1 ZINC001009455960 838885403 /nfs/dbraw/zinc/88/54/03/838885403.db2.gz SXOZSNCRZWQCHX-CYBMUJFWSA-N 1 2 291.420 1.977 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnoc1C(C)C ZINC001032712368 838962606 /nfs/dbraw/zinc/96/26/06/838962606.db2.gz VVGAOTQZIRBBEZ-RYUDHWBXSA-N 1 2 275.352 1.883 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnoc1C(C)C ZINC001032712368 838962618 /nfs/dbraw/zinc/96/26/18/838962618.db2.gz VVGAOTQZIRBBEZ-RYUDHWBXSA-N 1 2 275.352 1.883 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC13CCC3)CO2 ZINC001053941815 838986055 /nfs/dbraw/zinc/98/60/55/838986055.db2.gz GFLGIPQMBYGKEX-ZIAGYGMSSA-N 1 2 288.391 1.159 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCOC1 ZINC001027777118 839054402 /nfs/dbraw/zinc/05/44/02/839054402.db2.gz DJDDIUBOEGDGFS-QWHCGFSZSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCOC1 ZINC001027777118 839054413 /nfs/dbraw/zinc/05/44/13/839054413.db2.gz DJDDIUBOEGDGFS-QWHCGFSZSA-N 1 2 286.803 1.746 20 30 CDEDLO C=CC[N@H+]1CCC[C@H](NC(=O)c2[nH]ncc2F)[C@@H]1C ZINC000993740597 839059115 /nfs/dbraw/zinc/05/91/15/839059115.db2.gz JFXVZYLQEDPYJG-ONGXEEELSA-N 1 2 266.320 1.318 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)c2[nH]ncc2F)[C@@H]1C ZINC000993740597 839059124 /nfs/dbraw/zinc/05/91/24/839059124.db2.gz JFXVZYLQEDPYJG-ONGXEEELSA-N 1 2 266.320 1.318 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCc2cnccc2OC)cc1 ZINC000808251093 839075176 /nfs/dbraw/zinc/07/51/76/839075176.db2.gz BODXCTPQJPYWJP-UHFFFAOYSA-N 1 2 287.319 1.936 20 30 CDEDLO CC(C)OC[C@@H]1C[N@H+](CCO[C@@H](C)C#N)CCO1 ZINC000801942854 839092171 /nfs/dbraw/zinc/09/21/71/839092171.db2.gz WRRFZPOJRWSPAQ-STQMWFEESA-N 1 2 256.346 1.041 20 30 CDEDLO CC(C)OC[C@@H]1C[N@@H+](CCO[C@@H](C)C#N)CCO1 ZINC000801942854 839092184 /nfs/dbraw/zinc/09/21/84/839092184.db2.gz WRRFZPOJRWSPAQ-STQMWFEESA-N 1 2 256.346 1.041 20 30 CDEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000825024181 839219589 /nfs/dbraw/zinc/21/95/89/839219589.db2.gz LIMWNGAMOZUVJM-UKRRQHHQSA-N 1 2 295.766 1.544 20 30 CDEDLO C#CCOc1cccc(Cl)c1C[N@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000825024181 839219600 /nfs/dbraw/zinc/21/96/00/839219600.db2.gz LIMWNGAMOZUVJM-UKRRQHHQSA-N 1 2 295.766 1.544 20 30 CDEDLO C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001007645143 839225923 /nfs/dbraw/zinc/22/59/23/839225923.db2.gz LRESCBGBGMTFGM-KGLIPLIRSA-N 1 2 265.401 1.237 20 30 CDEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001007645143 839225931 /nfs/dbraw/zinc/22/59/31/839225931.db2.gz LRESCBGBGMTFGM-KGLIPLIRSA-N 1 2 265.401 1.237 20 30 CDEDLO C=CCN1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001007645143 839225972 /nfs/dbraw/zinc/22/59/72/839225972.db2.gz LRESCBGBGMTFGM-KGLIPLIRSA-N 1 2 265.401 1.237 20 30 CDEDLO C=CCN1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001007645143 839225990 /nfs/dbraw/zinc/22/59/90/839225990.db2.gz LRESCBGBGMTFGM-KGLIPLIRSA-N 1 2 265.401 1.237 20 30 CDEDLO C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CC ZINC001037936178 839227571 /nfs/dbraw/zinc/22/75/71/839227571.db2.gz UMQCEBXAIFPITJ-HIFRSBDPSA-N 1 2 290.411 1.745 20 30 CDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2CCCO2)C1 ZINC001031535483 839234066 /nfs/dbraw/zinc/23/40/66/839234066.db2.gz VAMJBLASABHCDG-INIZCTEOSA-N 1 2 299.374 1.285 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@H](CF)C2)cc1 ZINC000840955797 839280856 /nfs/dbraw/zinc/28/08/56/839280856.db2.gz ZORVASUMOORCEF-OAHLLOKOSA-N 1 2 263.312 1.869 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCO[C@H](CF)C2)cc1 ZINC000840955797 839280881 /nfs/dbraw/zinc/28/08/81/839280881.db2.gz ZORVASUMOORCEF-OAHLLOKOSA-N 1 2 263.312 1.869 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)C1 ZINC001031214841 839330013 /nfs/dbraw/zinc/33/00/13/839330013.db2.gz OFPNEUVDXYDAJR-GDBMZVCRSA-N 1 2 292.423 1.651 20 30 CDEDLO C(=NN[C@H]1CCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000788444650 839361180 /nfs/dbraw/zinc/36/11/80/839361180.db2.gz CNSHUUOVSXFVEM-ZDUSSCGKSA-N 1 2 256.309 1.585 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H](CC)C[NH+]2CCOCC2)CC1 ZINC000928635437 839378215 /nfs/dbraw/zinc/37/82/15/839378215.db2.gz QQFSUNZTBFZXLX-HNNXBMFYSA-N 1 2 280.412 1.960 20 30 CDEDLO C#CCOCC[NH+]1CCN(C(=O)OCC(C)C)CC1 ZINC000851744050 839406919 /nfs/dbraw/zinc/40/69/19/839406919.db2.gz YUQOPKCSTUGSEP-UHFFFAOYSA-N 1 2 268.357 1.046 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCC=CCC1 ZINC001032788819 839478528 /nfs/dbraw/zinc/47/85/28/839478528.db2.gz MGPVOTGNAYKZDC-GJZGRUSLSA-N 1 2 258.365 1.651 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCC=CCC1 ZINC001032788819 839478539 /nfs/dbraw/zinc/47/85/39/839478539.db2.gz MGPVOTGNAYKZDC-GJZGRUSLSA-N 1 2 258.365 1.651 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cocn2)cc1 ZINC001038113195 839554379 /nfs/dbraw/zinc/55/43/79/839554379.db2.gz CIIVPPQVCWVMKX-CQSZACIVSA-N 1 2 296.330 1.551 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cocn2)cc1 ZINC001038113195 839554414 /nfs/dbraw/zinc/55/44/14/839554414.db2.gz CIIVPPQVCWVMKX-CQSZACIVSA-N 1 2 296.330 1.551 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2cccn2)CC[C@@H]1C ZINC001071354010 839599093 /nfs/dbraw/zinc/59/90/93/839599093.db2.gz GCEFYSPOOYIRNT-STQMWFEESA-N 1 2 296.802 1.605 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2cccn2)CC[C@@H]1C ZINC001071354010 839599129 /nfs/dbraw/zinc/59/91/29/839599129.db2.gz GCEFYSPOOYIRNT-STQMWFEESA-N 1 2 296.802 1.605 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2oc(C3CC3)nc2C)C1 ZINC001044025201 839623984 /nfs/dbraw/zinc/62/39/84/839623984.db2.gz ILCYWMJIUZSDNI-UHFFFAOYSA-N 1 2 287.363 1.640 20 30 CDEDLO N#CCOc1ccccc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857948042 839642553 /nfs/dbraw/zinc/64/25/53/839642553.db2.gz WXLNSBRBQXSHNA-LBPRGKRZSA-N 1 2 296.330 1.530 20 30 CDEDLO Cc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)nn1 ZINC000877744937 839647053 /nfs/dbraw/zinc/64/70/53/839647053.db2.gz BOCHCLHJCQMAMN-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1snnc1C ZINC001024324127 839652435 /nfs/dbraw/zinc/65/24/35/839652435.db2.gz NWZYBHFMHVGECO-NSHDSACASA-N 1 2 278.381 1.064 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1snnc1C ZINC001024324127 839652462 /nfs/dbraw/zinc/65/24/62/839652462.db2.gz NWZYBHFMHVGECO-NSHDSACASA-N 1 2 278.381 1.064 20 30 CDEDLO C#C[C@H]([NH2+]Cc1nc2c(s1)CCC2)[C@H]1CCCO1 ZINC000775345975 839702743 /nfs/dbraw/zinc/70/27/43/839702743.db2.gz AOMBVXRJUCYAMT-CMPLNLGQSA-N 1 2 262.378 1.902 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccsc1COC ZINC001032476976 839763363 /nfs/dbraw/zinc/76/33/63/839763363.db2.gz CFUWXGVAIYBMPU-RYUDHWBXSA-N 1 2 290.388 1.426 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccsc1COC ZINC001032476976 839763367 /nfs/dbraw/zinc/76/33/67/839763367.db2.gz CFUWXGVAIYBMPU-RYUDHWBXSA-N 1 2 290.388 1.426 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001031450270 839765288 /nfs/dbraw/zinc/76/52/88/839765288.db2.gz UQKNQFRNUTZTRP-UHFFFAOYSA-N 1 2 282.387 1.921 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)SC ZINC001017372987 839774824 /nfs/dbraw/zinc/77/48/24/839774824.db2.gz LFISACCHADZGGD-UTUOFQBUSA-N 1 2 254.399 1.599 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)SC ZINC001017372987 839774838 /nfs/dbraw/zinc/77/48/38/839774838.db2.gz LFISACCHADZGGD-UTUOFQBUSA-N 1 2 254.399 1.599 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1OCCc2ccccc21 ZINC001038583993 839814931 /nfs/dbraw/zinc/81/49/31/839814931.db2.gz BBLYGSGDDNRGGA-WBVHZDCISA-N 1 2 298.386 1.514 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1OCCc2ccccc21 ZINC001038583993 839814938 /nfs/dbraw/zinc/81/49/38/839814938.db2.gz BBLYGSGDDNRGGA-WBVHZDCISA-N 1 2 298.386 1.514 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@]1(C)CC ZINC001018129981 839830833 /nfs/dbraw/zinc/83/08/33/839830833.db2.gz OOFQCNZNQVYHLD-KNCOVGOOSA-N 1 2 260.381 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@]1(C)CC ZINC001018129981 839830841 /nfs/dbraw/zinc/83/08/41/839830841.db2.gz OOFQCNZNQVYHLD-KNCOVGOOSA-N 1 2 260.381 1.731 20 30 CDEDLO N#C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCCC1 ZINC000921547192 839851226 /nfs/dbraw/zinc/85/12/26/839851226.db2.gz IWIGOSZNDHNGMC-JSGCOSHPSA-N 1 2 272.352 1.644 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC001031357209 839859697 /nfs/dbraw/zinc/85/96/97/839859697.db2.gz HNJAHPRGUPRKFT-UHFFFAOYSA-N 1 2 258.365 1.832 20 30 CDEDLO CC[C@@H](F)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038174777 839870218 /nfs/dbraw/zinc/87/02/18/839870218.db2.gz VIXNHXXAAOMNQF-ZYHUDNBSSA-N 1 2 278.331 1.439 20 30 CDEDLO CC[C@@H](F)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038174777 839870222 /nfs/dbraw/zinc/87/02/22/839870222.db2.gz VIXNHXXAAOMNQF-ZYHUDNBSSA-N 1 2 278.331 1.439 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cnco3)C[C@H]21 ZINC001042168727 839882853 /nfs/dbraw/zinc/88/28/53/839882853.db2.gz APSWCAHXYFXFOO-NWDGAFQWSA-N 1 2 295.770 1.964 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3cnco3)C[C@H]21 ZINC001042168727 839882855 /nfs/dbraw/zinc/88/28/55/839882855.db2.gz APSWCAHXYFXFOO-NWDGAFQWSA-N 1 2 295.770 1.964 20 30 CDEDLO CCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001009817623 839930910 /nfs/dbraw/zinc/93/09/10/839930910.db2.gz VHSFJZJHBQTQBB-CYBMUJFWSA-N 1 2 275.327 1.798 20 30 CDEDLO CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001009817623 839930920 /nfs/dbraw/zinc/93/09/20/839930920.db2.gz VHSFJZJHBQTQBB-CYBMUJFWSA-N 1 2 275.327 1.798 20 30 CDEDLO C=C(C)C[C@H](CO)NC(=O)c1cccc2[nH+]ccn21 ZINC000882896867 840019276 /nfs/dbraw/zinc/01/92/76/840019276.db2.gz TXDMJXNKZVHXLX-LLVKDONJSA-N 1 2 259.309 1.391 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)c1ccccc1 ZINC001032770228 840054082 /nfs/dbraw/zinc/05/40/82/840054082.db2.gz OFGDRZJRKIBPBS-HOTGVXAUSA-N 1 2 282.387 1.883 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)c1ccccc1 ZINC001032770228 840054090 /nfs/dbraw/zinc/05/40/90/840054090.db2.gz OFGDRZJRKIBPBS-HOTGVXAUSA-N 1 2 282.387 1.883 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)cc1OC ZINC001032738293 840153005 /nfs/dbraw/zinc/15/30/05/840153005.db2.gz VFOLKIZERWTFCO-GJZGRUSLSA-N 1 2 298.386 1.926 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)cc1OC ZINC001032738293 840153014 /nfs/dbraw/zinc/15/30/14/840153014.db2.gz VFOLKIZERWTFCO-GJZGRUSLSA-N 1 2 298.386 1.926 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)[nH]c2C)C1 ZINC001035526707 840248101 /nfs/dbraw/zinc/24/81/01/840248101.db2.gz RZWIBZMVBYODQM-CYBMUJFWSA-N 1 2 277.368 1.248 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(C)[nH]c2C)C1 ZINC001035526707 840248117 /nfs/dbraw/zinc/24/81/17/840248117.db2.gz RZWIBZMVBYODQM-CYBMUJFWSA-N 1 2 277.368 1.248 20 30 CDEDLO C#CCCCCNc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000840274643 840289543 /nfs/dbraw/zinc/28/95/43/840289543.db2.gz FKWLGGFVRLMYQU-UONOGXRCSA-N 1 2 288.395 1.899 20 30 CDEDLO C#CCCCCNc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000840274643 840289561 /nfs/dbraw/zinc/28/95/61/840289561.db2.gz FKWLGGFVRLMYQU-UONOGXRCSA-N 1 2 288.395 1.899 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(C)s2)C1 ZINC001042422814 840304251 /nfs/dbraw/zinc/30/42/51/840304251.db2.gz JZWGKMBZZMBYNG-UHFFFAOYSA-N 1 2 262.378 1.836 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC[C@H](OC)C2)C1 ZINC001030555347 840345200 /nfs/dbraw/zinc/34/52/00/840345200.db2.gz LJWSGIGORVZHKJ-YPMHNXCESA-N 1 2 252.358 1.178 20 30 CDEDLO C#CCCN1CC[NH+](CCCC(=O)OC(C)(C)C)CC1 ZINC000784221126 840397172 /nfs/dbraw/zinc/39/71/72/840397172.db2.gz DYVKQRMUZBAOHA-UHFFFAOYSA-N 1 2 280.412 1.749 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2ccccc2nn1 ZINC001038573528 840413315 /nfs/dbraw/zinc/41/33/15/840413315.db2.gz XVLNYGVLXOIKPF-ZDUSSCGKSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2ccccc2nn1 ZINC001038573528 840413323 /nfs/dbraw/zinc/41/33/23/840413323.db2.gz XVLNYGVLXOIKPF-ZDUSSCGKSA-N 1 2 280.331 1.067 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccn(CC)n2)C1 ZINC001046676768 840432094 /nfs/dbraw/zinc/43/20/94/840432094.db2.gz GKVCYDOZRYKXIH-CQSZACIVSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccn(CC)n2)C1 ZINC001046676768 840432105 /nfs/dbraw/zinc/43/21/05/840432105.db2.gz GKVCYDOZRYKXIH-CQSZACIVSA-N 1 2 296.802 1.850 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(CC2CC2)n1 ZINC001038858423 840533909 /nfs/dbraw/zinc/53/39/09/840533909.db2.gz JPBNIYDEXMDORV-CYBMUJFWSA-N 1 2 287.363 1.455 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(CC2CC2)n1 ZINC001038858423 840533914 /nfs/dbraw/zinc/53/39/14/840533914.db2.gz JPBNIYDEXMDORV-CYBMUJFWSA-N 1 2 287.363 1.455 20 30 CDEDLO COc1c(O)c(C[NH2+]C[C@@H](C)C#N)ccc1[N+](=O)[O-] ZINC000775060011 840605011 /nfs/dbraw/zinc/60/50/11/840605011.db2.gz DVDWDGYTVPKIGO-QMMMGPOBSA-N 1 2 265.269 1.558 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2)C1 ZINC001035274906 840611200 /nfs/dbraw/zinc/61/12/00/840611200.db2.gz SDYSEGKYSSEEPE-AWEZNQCLSA-N 1 2 260.337 1.303 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2)C1 ZINC001035274906 840611202 /nfs/dbraw/zinc/61/12/02/840611202.db2.gz SDYSEGKYSSEEPE-AWEZNQCLSA-N 1 2 260.337 1.303 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(F)=C(C)C)C[C@@H]21 ZINC001074211897 840658302 /nfs/dbraw/zinc/65/83/02/840658302.db2.gz HAOPUURSZIHTPR-UONOGXRCSA-N 1 2 294.370 1.575 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(F)=C(C)C)C[C@@H]21 ZINC001074211897 840658305 /nfs/dbraw/zinc/65/83/05/840658305.db2.gz HAOPUURSZIHTPR-UONOGXRCSA-N 1 2 294.370 1.575 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3ncn(C)c32)C1 ZINC001030552551 840728294 /nfs/dbraw/zinc/72/82/94/840728294.db2.gz MJYOHILCAOCCHL-UHFFFAOYSA-N 1 2 282.347 1.011 20 30 CDEDLO Cc1ccc(Cl)c2c1NC(=O)C2=NNC1=[NH+]C[C@H](C)N1 ZINC000779794736 840750714 /nfs/dbraw/zinc/75/07/14/840750714.db2.gz MKBBVOMOVHKQEO-ZETCQYMHSA-N 1 2 291.742 1.242 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC001032942396 840788735 /nfs/dbraw/zinc/78/87/35/840788735.db2.gz LZBMRDFMJYRKJF-RYUDHWBXSA-N 1 2 272.776 1.308 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC001032942396 840788768 /nfs/dbraw/zinc/78/87/68/840788768.db2.gz LZBMRDFMJYRKJF-RYUDHWBXSA-N 1 2 272.776 1.308 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC001044381984 840796541 /nfs/dbraw/zinc/79/65/41/840796541.db2.gz KURUEOMKAYVQFD-UHFFFAOYSA-N 1 2 299.330 1.313 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1ccccc1 ZINC000884043628 840856194 /nfs/dbraw/zinc/85/61/94/840856194.db2.gz BQKBUOOLOMKMBL-AAEUAGOBSA-N 1 2 276.336 1.310 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc3c([nH]2)CCC3)C1 ZINC001044173508 840870541 /nfs/dbraw/zinc/87/05/41/840870541.db2.gz HFHIQQWJCGABDS-UHFFFAOYSA-N 1 2 271.364 1.283 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncc2ccccn21 ZINC001038515394 840906999 /nfs/dbraw/zinc/90/69/99/840906999.db2.gz CKNRAUNKCSIZMZ-CYBMUJFWSA-N 1 2 282.347 1.162 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncc2ccccn21 ZINC001038515394 840907006 /nfs/dbraw/zinc/90/70/06/840907006.db2.gz CKNRAUNKCSIZMZ-CYBMUJFWSA-N 1 2 282.347 1.162 20 30 CDEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1sccc1C(N)=O ZINC000815283312 840925916 /nfs/dbraw/zinc/92/59/16/840925916.db2.gz JPQCQQNMOPVKSJ-SECBINFHSA-N 1 2 279.365 1.129 20 30 CDEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1sccc1C(N)=O ZINC000815283312 840925922 /nfs/dbraw/zinc/92/59/22/840925922.db2.gz JPQCQQNMOPVKSJ-SECBINFHSA-N 1 2 279.365 1.129 20 30 CDEDLO C#CCOCCC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874892696 840938744 /nfs/dbraw/zinc/93/87/44/840938744.db2.gz KPWHCOPVIQQCBE-OAHLLOKOSA-N 1 2 290.338 1.339 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccn(C)c1C ZINC001051101149 840944589 /nfs/dbraw/zinc/94/45/89/840944589.db2.gz KTKOFPUORDDAQA-AWEZNQCLSA-N 1 2 291.395 1.340 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccn(C)c1C ZINC001051101149 840944595 /nfs/dbraw/zinc/94/45/95/840944595.db2.gz KTKOFPUORDDAQA-AWEZNQCLSA-N 1 2 291.395 1.340 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CC2CCC1CC2 ZINC000884373019 840972467 /nfs/dbraw/zinc/97/24/67/840972467.db2.gz ZLPBDTMGJDNFEK-PQAZSJQKSA-N 1 2 294.395 1.376 20 30 CDEDLO C#CC[C@H](CCOC)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000858856381 841010766 /nfs/dbraw/zinc/01/07/66/841010766.db2.gz DHAIQNSHTIZFPY-CYBMUJFWSA-N 1 2 290.367 1.154 20 30 CDEDLO C#CC[C@H](CCOC)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000858856381 841010778 /nfs/dbraw/zinc/01/07/78/841010778.db2.gz DHAIQNSHTIZFPY-CYBMUJFWSA-N 1 2 290.367 1.154 20 30 CDEDLO CN(C)c1[nH+]cc(/C=C2\Oc3cc(O)ccc3C2=O)n1C ZINC000821037927 841041041 /nfs/dbraw/zinc/04/10/41/841041041.db2.gz FLPSOWCGCSFJSO-MLPAPPSSSA-N 1 2 285.303 1.808 20 30 CDEDLO C#CC1(O)CC[NH+]([C@H](C)c2nc(C(C)C)no2)CC1 ZINC000931145912 841078372 /nfs/dbraw/zinc/07/83/72/841078372.db2.gz WGEBXSXDEAPUSM-LLVKDONJSA-N 1 2 263.341 1.714 20 30 CDEDLO C#CCNC(=O)CC[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000815020107 841315186 /nfs/dbraw/zinc/31/51/86/841315186.db2.gz YTKRVPJAEWXTBB-LBPRGKRZSA-N 1 2 276.340 1.045 20 30 CDEDLO C#CCNC(=O)CC[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000815020107 841315200 /nfs/dbraw/zinc/31/52/00/841315200.db2.gz YTKRVPJAEWXTBB-LBPRGKRZSA-N 1 2 276.340 1.045 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000839105851 841327330 /nfs/dbraw/zinc/32/73/30/841327330.db2.gz VWZKXHFXHLJQKT-NHYWBVRUSA-N 1 2 283.368 1.768 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000839105851 841327340 /nfs/dbraw/zinc/32/73/40/841327340.db2.gz VWZKXHFXHLJQKT-NHYWBVRUSA-N 1 2 283.368 1.768 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1C=CCC1)CO2 ZINC001053734715 841339079 /nfs/dbraw/zinc/33/90/79/841339079.db2.gz RHICKPZWQQWYBO-GJZGRUSLSA-N 1 2 290.407 1.878 20 30 CDEDLO CC#CC(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000801138787 841362967 /nfs/dbraw/zinc/36/29/67/841362967.db2.gz VSXXFKHYDTUVKL-UHFFFAOYSA-N 1 2 251.355 1.947 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(C)nc2Cl)nn1 ZINC000881312747 841364579 /nfs/dbraw/zinc/36/45/79/841364579.db2.gz QHZZAIWVDKIQOE-UHFFFAOYSA-N 1 2 289.770 1.796 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)ccc1C ZINC001038572666 841383240 /nfs/dbraw/zinc/38/32/40/841383240.db2.gz OBTYVSJJHWBCDJ-CYBMUJFWSA-N 1 2 260.312 1.571 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)ccc1C ZINC001038572666 841383245 /nfs/dbraw/zinc/38/32/45/841383245.db2.gz OBTYVSJJHWBCDJ-CYBMUJFWSA-N 1 2 260.312 1.571 20 30 CDEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C#CC(C)(C)C ZINC000837585078 841487663 /nfs/dbraw/zinc/48/76/63/841487663.db2.gz ZXSZDDMRNQVUTR-UHFFFAOYSA-N 1 2 280.412 1.605 20 30 CDEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C#CC(C)(C)C ZINC000837585078 841487682 /nfs/dbraw/zinc/48/76/82/841487682.db2.gz ZXSZDDMRNQVUTR-UHFFFAOYSA-N 1 2 280.412 1.605 20 30 CDEDLO Cc1ccc(N2CCN(c3cccc[nH+]3)CC2)c(C#N)n1 ZINC000881741623 841626869 /nfs/dbraw/zinc/62/68/69/841626869.db2.gz NVOGLBGELMKPCW-UHFFFAOYSA-N 1 2 279.347 1.983 20 30 CDEDLO C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000989491425 841664198 /nfs/dbraw/zinc/66/41/98/841664198.db2.gz GKCPORUCFUACNC-YPMHNXCESA-N 1 2 262.357 1.107 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1cnc(COC)s1 ZINC001039081919 841677178 /nfs/dbraw/zinc/67/71/78/841677178.db2.gz DJBNHJFBLHRVLD-NSHDSACASA-N 1 2 295.408 1.670 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1cnc(COC)s1 ZINC001039081919 841677185 /nfs/dbraw/zinc/67/71/85/841677185.db2.gz DJBNHJFBLHRVLD-NSHDSACASA-N 1 2 295.408 1.670 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2CCO[C@H](CC)C2)C1 ZINC001031217403 841689096 /nfs/dbraw/zinc/68/90/96/841689096.db2.gz KXDITKHOCWMGLD-DZGCQCFKSA-N 1 2 280.412 1.958 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncoc1C(C)C ZINC001038891265 841728233 /nfs/dbraw/zinc/72/82/33/841728233.db2.gz WXBSHGHHVHWICV-LBPRGKRZSA-N 1 2 275.352 1.625 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ncoc1C(C)C ZINC001038891265 841728255 /nfs/dbraw/zinc/72/82/55/841728255.db2.gz WXBSHGHHVHWICV-LBPRGKRZSA-N 1 2 275.352 1.625 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001051069111 841788162 /nfs/dbraw/zinc/78/81/62/841788162.db2.gz YQULKPRKMWFYQD-XQQFMLRXSA-N 1 2 252.358 1.036 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001051069111 841788186 /nfs/dbraw/zinc/78/81/86/841788186.db2.gz YQULKPRKMWFYQD-XQQFMLRXSA-N 1 2 252.358 1.036 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001033440503 841852105 /nfs/dbraw/zinc/85/21/05/841852105.db2.gz QFYRNVPOTRVECE-DGAVXFQQSA-N 1 2 298.814 1.839 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001033440503 841852108 /nfs/dbraw/zinc/85/21/08/841852108.db2.gz QFYRNVPOTRVECE-DGAVXFQQSA-N 1 2 298.814 1.839 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)onc1CC ZINC001039011920 841863402 /nfs/dbraw/zinc/86/34/02/841863402.db2.gz IKBNJZMZXVSAJH-LLVKDONJSA-N 1 2 263.341 1.536 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)onc1CC ZINC001039011920 841863403 /nfs/dbraw/zinc/86/34/03/841863403.db2.gz IKBNJZMZXVSAJH-LLVKDONJSA-N 1 2 263.341 1.536 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1ccc(C)c(C)c1 ZINC001032779966 841867569 /nfs/dbraw/zinc/86/75/69/841867569.db2.gz VSANDSFOUSWGNG-HOTGVXAUSA-N 1 2 298.386 1.601 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1ccc(C)c(C)c1 ZINC001032779966 841867570 /nfs/dbraw/zinc/86/75/70/841867570.db2.gz VSANDSFOUSWGNG-HOTGVXAUSA-N 1 2 298.386 1.601 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)cc(F)c1 ZINC001038728437 841884941 /nfs/dbraw/zinc/88/49/41/841884941.db2.gz KFBCKQIBMJHVBA-CQSZACIVSA-N 1 2 260.312 1.571 20 30 CDEDLO 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C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001027418561 842340706 /nfs/dbraw/zinc/34/07/06/842340706.db2.gz AIAGKHQIZXGZGT-VHSXEESVSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001027418561 842340722 /nfs/dbraw/zinc/34/07/22/842340722.db2.gz AIAGKHQIZXGZGT-VHSXEESVSA-N 1 2 280.265 1.443 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnn(C)c1 ZINC001032562821 842348473 /nfs/dbraw/zinc/34/84/73/842348473.db2.gz FKDAHUIIRAOROV-KBPBESRZSA-N 1 2 288.395 1.417 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnn(C)c1 ZINC001032562821 842348491 /nfs/dbraw/zinc/34/84/91/842348491.db2.gz FKDAHUIIRAOROV-KBPBESRZSA-N 1 2 288.395 1.417 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccc(F)cc2F)C1 ZINC001042757666 842351850 /nfs/dbraw/zinc/35/18/50/842351850.db2.gz FPNOSQRXRLQKBH-UHFFFAOYSA-N 1 2 280.318 1.836 20 30 CDEDLO COCC[N@H+](CCC#N)C[C@H](O)CC1(O)CCCCC1 ZINC000878159919 842362638 /nfs/dbraw/zinc/36/26/38/842362638.db2.gz 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/nfs/dbraw/zinc/53/84/47/842538447.db2.gz KDJBSUDQRKANHV-JTQLQIEISA-N 1 2 278.308 1.080 20 30 CDEDLO C[C@H](C#N)OCC[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000801925090 842566444 /nfs/dbraw/zinc/56/64/44/842566444.db2.gz ZEVBJSWFGUJCQJ-MNOVXSKESA-N 1 2 279.306 1.483 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1oncc1C ZINC001051192722 842591231 /nfs/dbraw/zinc/59/12/31/842591231.db2.gz NATYROQEAOFFSK-CYBMUJFWSA-N 1 2 293.367 1.380 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1oncc1C ZINC001051192722 842591245 /nfs/dbraw/zinc/59/12/45/842591245.db2.gz NATYROQEAOFFSK-CYBMUJFWSA-N 1 2 293.367 1.380 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cccc(C(C)=O)c1 ZINC000848113114 842593221 /nfs/dbraw/zinc/59/32/21/842593221.db2.gz DRTHRVMPZYHSAX-INIZCTEOSA-N 1 2 284.359 1.603 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(C(C)=O)c1 ZINC000848113114 842593235 /nfs/dbraw/zinc/59/32/35/842593235.db2.gz DRTHRVMPZYHSAX-INIZCTEOSA-N 1 2 284.359 1.603 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCNC(=O)C1(C)C 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1.875 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C)o1)CO2 ZINC001053731526 842711708 /nfs/dbraw/zinc/71/17/08/842711708.db2.gz YIEXDCWRFYTUNO-CYBMUJFWSA-N 1 2 290.363 1.737 20 30 CDEDLO CCn1nc(C)c(CO[NH+]=C(N)c2ccc(F)cc2)n1 ZINC000842019075 842717765 /nfs/dbraw/zinc/71/77/65/842717765.db2.gz GNQULXDUASPQSD-UHFFFAOYSA-N 1 2 277.303 1.583 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cc(C)on2)C1 ZINC001010372696 842769026 /nfs/dbraw/zinc/76/90/26/842769026.db2.gz GORIJNWPZGHRRD-LLVKDONJSA-N 1 2 283.759 1.469 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc(C)on2)C1 ZINC001010372696 842769053 /nfs/dbraw/zinc/76/90/53/842769053.db2.gz GORIJNWPZGHRRD-LLVKDONJSA-N 1 2 283.759 1.469 20 30 CDEDLO C[C@H](N[NH+]=Cc1cnc(N2CCCC2)nc1)C(F)(F)F ZINC000834997069 842838360 /nfs/dbraw/zinc/83/83/60/842838360.db2.gz YSQQTHSRZDSWAX-VIFPVBQESA-N 1 2 287.289 1.951 20 30 CDEDLO C=CC[N@H+]1CCC[C@H](NC(=O)c2cc(OC)ns2)C1 ZINC001007357751 842865295 /nfs/dbraw/zinc/86/52/95/842865295.db2.gz RJRNKUHXMZMICV-JTQLQIEISA-N 1 2 281.381 1.532 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc(OC)ns2)C1 ZINC001007357751 842865297 /nfs/dbraw/zinc/86/52/97/842865297.db2.gz RJRNKUHXMZMICV-JTQLQIEISA-N 1 2 281.381 1.532 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC2(F)F)C1 ZINC001014892701 842869474 /nfs/dbraw/zinc/86/94/74/842869474.db2.gz VCMDAWIDTFZOHI-NXEZZACHSA-N 1 2 278.730 1.975 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC2(F)F)C1 ZINC001014892701 842869476 /nfs/dbraw/zinc/86/94/76/842869476.db2.gz VCMDAWIDTFZOHI-NXEZZACHSA-N 1 2 278.730 1.975 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2ccn(C)c2c1 ZINC001038878969 842909034 /nfs/dbraw/zinc/90/90/34/842909034.db2.gz RDWSFALQALYMRR-OAHLLOKOSA-N 1 2 281.359 1.616 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2ccn(C)c2c1 ZINC001038878969 842909045 /nfs/dbraw/zinc/90/90/45/842909045.db2.gz RDWSFALQALYMRR-OAHLLOKOSA-N 1 2 281.359 1.616 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC001039021690 842931517 /nfs/dbraw/zinc/93/15/17/842931517.db2.gz NOTSOXAMZDLYIS-GFCCVEGCSA-N 1 2 298.346 1.415 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC001039021690 842931528 /nfs/dbraw/zinc/93/15/28/842931528.db2.gz NOTSOXAMZDLYIS-GFCCVEGCSA-N 1 2 298.346 1.415 20 30 CDEDLO CNC(=S)N[NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000814692550 842975690 /nfs/dbraw/zinc/97/56/90/842975690.db2.gz XBUMMVSDMPSCNV-MRVPVSSYSA-N 1 2 260.366 1.788 20 30 CDEDLO C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCC[N@@H+]2C)n1C ZINC001646686021 1168043034 /nfs/dbraw/zinc/04/30/34/1168043034.db2.gz NNTLHCQIBJPRCG-RYUDHWBXSA-N 1 2 276.388 1.568 20 30 CDEDLO C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCC[N@H+]2C)n1C ZINC001646686021 1168043039 /nfs/dbraw/zinc/04/30/39/1168043039.db2.gz NNTLHCQIBJPRCG-RYUDHWBXSA-N 1 2 276.388 1.568 20 30 CDEDLO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232674078 912384140 /nfs/dbraw/zinc/38/41/40/912384140.db2.gz RJLRESRXRZXUCT-YPMHNXCESA-N 1 2 260.337 1.857 20 30 CDEDLO C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1cc(C#N)ccc1O ZINC001232674078 912384161 /nfs/dbraw/zinc/38/41/61/912384161.db2.gz RJLRESRXRZXUCT-YPMHNXCESA-N 1 2 260.337 1.857 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H](C)CCCCC(=O)OC ZINC001173438302 912533523 /nfs/dbraw/zinc/53/35/23/912533523.db2.gz LQVADEUENGRQRU-QWRGUYRKSA-N 1 2 291.413 1.559 20 30 CDEDLO CCOC(=O)[C@H]1CC12CCC([NH+]1CC(C#N)C1)CC2 ZINC001173614267 912625255 /nfs/dbraw/zinc/62/52/55/912625255.db2.gz RXSSQRBLRQWAHR-JVWICGRDSA-N 1 2 262.353 1.954 20 30 CDEDLO CCOC(=O)[C@@H]1CC12CCC(N1CC[NH2+]C[C@@H]1C#N)CC2 ZINC001173607925 912647967 /nfs/dbraw/zinc/64/79/67/912647967.db2.gz LOAIHZSGUXZKAO-WJEHIRDRSA-N 1 2 291.395 1.296 20 30 CDEDLO C=CCN1C[C@@]2(F)C[N@@H+](CCCSC)C[C@@]2(F)C1=O ZINC001272459018 913146562 /nfs/dbraw/zinc/14/65/62/913146562.db2.gz GJMIKRABPORVQB-QWHCGFSZSA-N 1 2 290.379 1.500 20 30 CDEDLO C=CCN1C[C@@]2(F)C[N@H+](CCCSC)C[C@@]2(F)C1=O ZINC001272459018 913146570 /nfs/dbraw/zinc/14/65/70/913146570.db2.gz GJMIKRABPORVQB-QWHCGFSZSA-N 1 2 290.379 1.500 20 30 CDEDLO C#Cc1cc(Nc2cnn([C@@H](C)OCC)c2)cc[nH+]1 ZINC001174690392 913284635 /nfs/dbraw/zinc/28/46/35/913284635.db2.gz FUVPNYJOOKCALG-LLVKDONJSA-N 1 2 256.309 1.980 20 30 CDEDLO C#Cc1cc(Nc2ccc([S@@](C)=O)cc2)cc[nH+]1 ZINC001175470472 913619120 /nfs/dbraw/zinc/61/91/20/913619120.db2.gz DZOFCKOFMOMPBI-GOSISDBHSA-N 1 2 256.330 1.966 20 30 CDEDLO Cc1nc(NCC[C@@H](C)NC(=O)[C@H](C)C#N)cc[nH+]1 ZINC001106269276 913752646 /nfs/dbraw/zinc/75/26/46/913752646.db2.gz RPXNIDUQYMCMNQ-NXEZZACHSA-N 1 2 261.329 1.251 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNc1cc[nH+]c(C)n1 ZINC001106303950 913835520 /nfs/dbraw/zinc/83/55/20/913835520.db2.gz DOUVCUJYDKEONZ-NHYWBVRUSA-N 1 2 292.383 1.419 20 30 CDEDLO Cc1cccnc1N1CC[NH+](Cc2ccc(C#N)nc2)CC1 ZINC001140540981 896701540 /nfs/dbraw/zinc/70/15/40/896701540.db2.gz USTFFISBEDFQOM-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO C=C(C)C(=O)NCCCNc1cc[nH+]c(C(=O)OC)c1C ZINC001167670982 897465458 /nfs/dbraw/zinc/46/54/58/897465458.db2.gz OLSSUFOJMAALCK-UHFFFAOYSA-N 1 2 291.351 1.671 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](F)CC)C[C@@H]1O ZINC001220141498 899475630 /nfs/dbraw/zinc/47/56/30/899475630.db2.gz VGHAGLPDZYCEPO-UTUOFQBUSA-N 1 2 272.364 1.108 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](F)CC)C[C@@H]1O ZINC001220141498 899475637 /nfs/dbraw/zinc/47/56/37/899475637.db2.gz VGHAGLPDZYCEPO-UTUOFQBUSA-N 1 2 272.364 1.108 20 30 CDEDLO CC1(C#N)CN(C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC001176958263 914398910 /nfs/dbraw/zinc/39/89/10/914398910.db2.gz OQIMWAIHBXWDDN-CYBMUJFWSA-N 1 2 284.363 1.670 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H]2OCC[N@@H+](CC(=C)C)[C@@H]2C1 ZINC001176989275 914421622 /nfs/dbraw/zinc/42/16/22/914421622.db2.gz OQPDKRUHKHCESI-HZPDHXFCSA-N 1 2 290.407 1.668 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H]2OCC[N@H+](CC(=C)C)[C@@H]2C1 ZINC001176989275 914421626 /nfs/dbraw/zinc/42/16/26/914421626.db2.gz OQPDKRUHKHCESI-HZPDHXFCSA-N 1 2 290.407 1.668 20 30 CDEDLO CC(C)C#CC(=O)N1CC[C@@H]2OCC[N@H+](CCCF)[C@@H]2C1 ZINC001177019848 914438692 /nfs/dbraw/zinc/43/86/92/914438692.db2.gz STBONVGJTXSQPA-CABCVRRESA-N 1 2 296.386 1.307 20 30 CDEDLO CC(C)C#CC(=O)N1CC[C@@H]2OCC[N@@H+](CCCF)[C@@H]2C1 ZINC001177019848 914438697 /nfs/dbraw/zinc/43/86/97/914438697.db2.gz STBONVGJTXSQPA-CABCVRRESA-N 1 2 296.386 1.307 20 30 CDEDLO C=CCn1cc(C[N@H+]2CCCC[C@@H]2C(=O)NCCC)cn1 ZINC001139770274 901681195 /nfs/dbraw/zinc/68/11/95/901681195.db2.gz JVEGUXDSENIBLF-OAHLLOKOSA-N 1 2 290.411 1.950 20 30 CDEDLO C=CCn1cc(C[N@@H+]2CCCC[C@@H]2C(=O)NCCC)cn1 ZINC001139770274 901681200 /nfs/dbraw/zinc/68/12/00/901681200.db2.gz JVEGUXDSENIBLF-OAHLLOKOSA-N 1 2 290.411 1.950 20 30 CDEDLO CN(CC(=O)N/C=C/C(=O)C(F)(F)F)c1cccc[nH+]1 ZINC001177413884 914671602 /nfs/dbraw/zinc/67/16/02/914671602.db2.gz JPHGVTDNEIXLMZ-FNORWQNLSA-N 1 2 287.241 1.279 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccnnc2)[C@H]1CC ZINC001087738364 905803534 /nfs/dbraw/zinc/80/35/34/905803534.db2.gz VOLVREBGIVNJDE-QWHCGFSZSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccnnc2)[C@H]1CC ZINC001087738364 905803540 /nfs/dbraw/zinc/80/35/40/905803540.db2.gz VOLVREBGIVNJDE-QWHCGFSZSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+][C@H](C)c1nc(CC)no1 ZINC001128418359 921299533 /nfs/dbraw/zinc/29/95/33/921299533.db2.gz NXFSWEQVACHQPK-LLVKDONJSA-N 1 2 280.372 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@@H](C)OC ZINC001482584501 907414742 /nfs/dbraw/zinc/41/47/42/907414742.db2.gz NGSIWDGMVPVABW-LLVKDONJSA-N 1 2 262.781 1.554 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@@H](C)OC ZINC001482584501 907414750 /nfs/dbraw/zinc/41/47/50/907414750.db2.gz NGSIWDGMVPVABW-LLVKDONJSA-N 1 2 262.781 1.554 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@]23CCOC3)CC1 ZINC000989435557 908835732 /nfs/dbraw/zinc/83/57/32/908835732.db2.gz HLHKNHMRUSSSOV-UKRRQHHQSA-N 1 2 298.814 1.700 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2C[C@@]23CCOC3)CC1 ZINC000989435557 908835744 /nfs/dbraw/zinc/83/57/44/908835744.db2.gz HLHKNHMRUSSSOV-UKRRQHHQSA-N 1 2 298.814 1.700 20 30 CDEDLO CC(C)C#CC(=O)NCC[NH2+][C@@H](C)c1nc(C2CC2)no1 ZINC001126834653 909375425 /nfs/dbraw/zinc/37/54/25/909375425.db2.gz WYOBRYNFASKNFK-NSHDSACASA-N 1 2 290.367 1.373 20 30 CDEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(C)CC1)c1nccn12 ZINC001092373243 909391192 /nfs/dbraw/zinc/39/11/92/909391192.db2.gz QVCNOTVCYCYBES-CYBMUJFWSA-N 1 2 298.390 1.278 20 30 CDEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)C1(C)CC1)c1nccn12 ZINC001092373244 909393642 /nfs/dbraw/zinc/39/36/42/909393642.db2.gz QVCNOTVCYCYBES-ZDUSSCGKSA-N 1 2 298.390 1.278 20 30 CDEDLO C=CCOCC(=O)NCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001093555377 909957503 /nfs/dbraw/zinc/95/75/03/909957503.db2.gz NNTSQQJPWOCKIS-UHFFFAOYSA-N 1 2 290.367 1.393 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](F)CC)CC2)C1 ZINC001093561481 910010557 /nfs/dbraw/zinc/01/05/57/910010557.db2.gz QAAGYBWIDICZQF-CQSZACIVSA-N 1 2 284.375 1.612 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1c(C)cnn1C ZINC001409611832 910552451 /nfs/dbraw/zinc/55/24/51/910552451.db2.gz RZDXARRNRNIHCJ-NSHDSACASA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1c(C)cnn1C ZINC001409611832 910552469 /nfs/dbraw/zinc/55/24/69/910552469.db2.gz RZDXARRNRNIHCJ-NSHDSACASA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cnsn1 ZINC001483313317 910853905 /nfs/dbraw/zinc/85/39/05/910853905.db2.gz MIDAPJAOUFSBLH-QMMMGPOBSA-N 1 2 274.777 1.341 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cnsn1 ZINC001483313317 910853920 /nfs/dbraw/zinc/85/39/20/910853920.db2.gz MIDAPJAOUFSBLH-QMMMGPOBSA-N 1 2 274.777 1.341 20 30 CDEDLO CC(=O)[C@@H]1C[N@H+]([C@@H](C)Cc2ccc(C#N)cc2)CCO1 ZINC001172315873 911559930 /nfs/dbraw/zinc/55/99/30/911559930.db2.gz LSKWCDLMFGMAJZ-LRDDRELGSA-N 1 2 272.348 1.779 20 30 CDEDLO CC(=O)[C@@H]1C[N@@H+]([C@@H](C)Cc2ccc(C#N)cc2)CCO1 ZINC001172315873 911559943 /nfs/dbraw/zinc/55/99/43/911559943.db2.gz LSKWCDLMFGMAJZ-LRDDRELGSA-N 1 2 272.348 1.779 20 30 CDEDLO C[C@@H](CCCC#N)[NH2+][C@H](CO)C(=O)OCc1ccccc1 ZINC001172480107 911683588 /nfs/dbraw/zinc/68/35/88/911683588.db2.gz MPLCSFKIWRRPAC-DZGCQCFKSA-N 1 2 290.363 1.763 20 30 CDEDLO C#Cc1cccc(C[NH+]2CCN(C(=O)N(C)C)CC2)c1 ZINC001231656082 911798510 /nfs/dbraw/zinc/79/85/10/911798510.db2.gz IOIQIDQWYBFMRS-UHFFFAOYSA-N 1 2 271.364 1.467 20 30 CDEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)OC)CC1)C(=O)OC ZINC001172798984 912016794 /nfs/dbraw/zinc/01/67/94/912016794.db2.gz OFINNGDWMUQSFP-AGIUHOORSA-N 1 2 281.352 1.263 20 30 CDEDLO CC#CC(=O)N1CC[NH+](C[C@H](OC)c2ccccc2)CC1 ZINC001179751321 915967960 /nfs/dbraw/zinc/96/79/60/915967960.db2.gz DSFINDFEMBJUER-INIZCTEOSA-N 1 2 286.375 1.542 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(C)nn1 ZINC001485299904 916779866 /nfs/dbraw/zinc/77/98/66/916779866.db2.gz MNHOACZBEQOIHE-LLVKDONJSA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(C)nn1 ZINC001485299904 916779878 /nfs/dbraw/zinc/77/98/78/916779878.db2.gz MNHOACZBEQOIHE-LLVKDONJSA-N 1 2 282.775 1.588 20 30 CDEDLO CCN(CCNc1ccc(C#N)nc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001106961353 917458872 /nfs/dbraw/zinc/45/88/72/917458872.db2.gz IOCWQVQQGCNNTO-UHFFFAOYSA-N 1 2 298.350 1.179 20 30 CDEDLO C#CCCCC(=O)NC/C=C/CNc1cc[nH+]c(C)n1 ZINC001107146951 918209708 /nfs/dbraw/zinc/20/97/08/918209708.db2.gz GIXULCBARBDPGN-VOTSOKGWSA-N 1 2 272.352 1.673 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001107644305 918544296 /nfs/dbraw/zinc/54/42/96/918544296.db2.gz WOGPOVULYCFDEC-VXGBXAGGSA-N 1 2 292.383 1.683 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CCC2)C1 ZINC001107677574 918590494 /nfs/dbraw/zinc/59/04/94/918590494.db2.gz LRKDUYCFPBJIEJ-AWEZNQCLSA-N 1 2 252.358 1.180 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CCC2)C1 ZINC001107677574 918590502 /nfs/dbraw/zinc/59/05/02/918590502.db2.gz LRKDUYCFPBJIEJ-AWEZNQCLSA-N 1 2 252.358 1.180 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccsc2)C1 ZINC001107726030 918695347 /nfs/dbraw/zinc/69/53/47/918695347.db2.gz KRTUQRRKRRABPI-AWEZNQCLSA-N 1 2 280.393 1.755 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccsc2)C1 ZINC001107726030 918695358 /nfs/dbraw/zinc/69/53/58/918695358.db2.gz KRTUQRRKRRABPI-AWEZNQCLSA-N 1 2 280.393 1.755 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)COCCCC)C1 ZINC001107827719 918841750 /nfs/dbraw/zinc/84/17/50/918841750.db2.gz YRFAQHRUGZKOFN-HNNXBMFYSA-N 1 2 284.400 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)COCCCC)C1 ZINC001107827719 918841768 /nfs/dbraw/zinc/84/17/68/918841768.db2.gz YRFAQHRUGZKOFN-HNNXBMFYSA-N 1 2 284.400 1.196 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccon1 ZINC001272756066 919111248 /nfs/dbraw/zinc/11/12/48/919111248.db2.gz AIHYOCMFJFEPDR-OAHLLOKOSA-N 1 2 273.336 1.265 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccon1 ZINC001272756066 919111257 /nfs/dbraw/zinc/11/12/57/919111257.db2.gz AIHYOCMFJFEPDR-OAHLLOKOSA-N 1 2 273.336 1.265 20 30 CDEDLO C=CC(C)(C)CC(=O)NC[C@]1(C)C[N@H+](CC#CC)CCO1 ZINC001107970567 919355819 /nfs/dbraw/zinc/35/58/19/919355819.db2.gz CLCYRTFGWGHRPP-QGZVFWFLSA-N 1 2 292.423 1.819 20 30 CDEDLO C=CC(C)(C)CC(=O)NC[C@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001107970567 919355836 /nfs/dbraw/zinc/35/58/36/919355836.db2.gz CLCYRTFGWGHRPP-QGZVFWFLSA-N 1 2 292.423 1.819 20 30 CDEDLO C#CCC1(C(=O)N[C@H](C)CNc2cc[nH+]c(C)n2)CCC1 ZINC001107975955 919435695 /nfs/dbraw/zinc/43/56/95/919435695.db2.gz XRUOBJREMVUAFA-GFCCVEGCSA-N 1 2 286.379 1.895 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(N3CCCCC3)nc2)CC1 ZINC001139345111 936615628 /nfs/dbraw/zinc/61/56/28/936615628.db2.gz CDKUNNQOTXFNBP-UHFFFAOYSA-N 1 2 298.434 1.823 20 30 CDEDLO C#CCN1CC[NH+](Cc2ccc(N3CCCCC3)nc2)CC1 ZINC001139345111 936615629 /nfs/dbraw/zinc/61/56/29/936615629.db2.gz CDKUNNQOTXFNBP-UHFFFAOYSA-N 1 2 298.434 1.823 20 30 CDEDLO C=CCn1cc(C[N@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)cn1 ZINC001139768626 936644830 /nfs/dbraw/zinc/64/48/30/936644830.db2.gz RHEOVWPGSSYMDK-VHDGCEQUSA-N 1 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922127893 /nfs/dbraw/zinc/12/78/93/922127893.db2.gz SOBXEINLFWHNPL-HOCLYGCPSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CCC1(S(=O)(=O)N2CC[N@H+](C)[C@H](C)C2)CC1 ZINC001190793950 922202566 /nfs/dbraw/zinc/20/25/66/922202566.db2.gz LLOKNNUPOHXQMM-LLVKDONJSA-N 1 2 258.387 1.061 20 30 CDEDLO C=CCC1(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC001190793950 922202584 /nfs/dbraw/zinc/20/25/84/922202584.db2.gz LLOKNNUPOHXQMM-LLVKDONJSA-N 1 2 258.387 1.061 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001099046434 936776832 /nfs/dbraw/zinc/77/68/32/936776832.db2.gz NRRWDVZQFITGKG-NHYWBVRUSA-N 1 2 292.383 1.419 20 30 CDEDLO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192550729 923125786 /nfs/dbraw/zinc/12/57/86/923125786.db2.gz LAYYVRHDTCOOOY-DZGCQCFKSA-N 1 2 290.411 1.840 20 30 CDEDLO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192550729 923125797 /nfs/dbraw/zinc/12/57/97/923125797.db2.gz LAYYVRHDTCOOOY-DZGCQCFKSA-N 1 2 290.411 1.840 20 30 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/nfs/dbraw/zinc/29/41/94/925294194.db2.gz HZJQRDXQCUFSGQ-HNNXBMFYSA-N 1 2 289.404 1.652 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C#CC(C)C)c1nccn12 ZINC001101625212 936995110 /nfs/dbraw/zinc/99/51/10/936995110.db2.gz AMUSPAQALHIGLV-AWEZNQCLSA-N 1 2 298.390 1.300 20 30 CDEDLO C=CC[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C(=O)OCC ZINC001119965133 925577645 /nfs/dbraw/zinc/57/76/45/925577645.db2.gz AFVDMOUMDYQTAJ-LBPRGKRZSA-N 1 2 287.319 1.801 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccn(C)c2C)C1 ZINC001108195382 925749359 /nfs/dbraw/zinc/74/93/59/925749359.db2.gz ANKDOYWAJVTWEO-MRXNPFEDSA-N 1 2 291.395 1.340 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccn(C)c2C)C1 ZINC001108195382 925749365 /nfs/dbraw/zinc/74/93/65/925749365.db2.gz ANKDOYWAJVTWEO-MRXNPFEDSA-N 1 2 291.395 1.340 20 30 CDEDLO N#Cc1ccc(C(=O)NCc2c[nH+]cn2C2CCC2)[nH]1 ZINC001199684174 925812543 /nfs/dbraw/zinc/81/25/43/925812543.db2.gz SMAVMDXLSDXYKR-UHFFFAOYSA-N 1 2 269.308 1.738 20 30 CDEDLO 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CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)nn(C)c1F ZINC001085950067 926533333 /nfs/dbraw/zinc/53/33/33/926533333.db2.gz VYQGNHHSPKSLQU-LBPRGKRZSA-N 1 2 292.358 1.037 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nc(C)c(C)s1 ZINC001085979486 926566171 /nfs/dbraw/zinc/56/61/71/926566171.db2.gz TYHJUQOVJRZTKF-CYBMUJFWSA-N 1 2 291.420 1.930 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nc(C)c(C)s1 ZINC001085979486 926566176 /nfs/dbraw/zinc/56/61/76/926566176.db2.gz TYHJUQOVJRZTKF-CYBMUJFWSA-N 1 2 291.420 1.930 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001085989170 926573687 /nfs/dbraw/zinc/57/36/87/926573687.db2.gz KBSILKFALZCAFU-LBPRGKRZSA-N 1 2 299.330 1.313 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001085989170 926573692 /nfs/dbraw/zinc/57/36/92/926573692.db2.gz KBSILKFALZCAFU-LBPRGKRZSA-N 1 2 299.330 1.313 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)C(C)C)C1 ZINC001108256398 926868012 /nfs/dbraw/zinc/86/80/12/926868012.db2.gz WKZSCDAQOBFTCO-HOCLYGCPSA-N 1 2 280.412 1.509 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)C(C)C)C1 ZINC001108256398 926868020 /nfs/dbraw/zinc/86/80/20/926868020.db2.gz WKZSCDAQOBFTCO-HOCLYGCPSA-N 1 2 280.412 1.509 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(C)CCOCC2)C1 ZINC001108281250 927197785 /nfs/dbraw/zinc/19/77/85/927197785.db2.gz FDDOFAPEJKAWRR-MRXNPFEDSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2(C)CCOCC2)C1 ZINC001108281250 927197806 /nfs/dbraw/zinc/19/78/06/927197806.db2.gz FDDOFAPEJKAWRR-MRXNPFEDSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CCCOC)C1 ZINC001108327952 927395552 /nfs/dbraw/zinc/39/55/52/927395552.db2.gz XJYPZWMHUZWPNZ-GOEBONIOSA-N 1 2 298.427 1.442 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CCCOC)C1 ZINC001108327952 927395562 /nfs/dbraw/zinc/39/55/62/927395562.db2.gz XJYPZWMHUZWPNZ-GOEBONIOSA-N 1 2 298.427 1.442 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C2CC2)C2CC2)C1 ZINC001108330635 927396074 /nfs/dbraw/zinc/39/60/74/927396074.db2.gz DSLZEUHRJYXFJS-QGZVFWFLSA-N 1 2 292.423 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C(C2CC2)C2CC2)C1 ZINC001108330635 927396081 /nfs/dbraw/zinc/39/60/81/927396081.db2.gz DSLZEUHRJYXFJS-QGZVFWFLSA-N 1 2 292.423 1.816 20 30 CDEDLO Cc1nc(NC[C@H](C)CNC(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001103898540 937171626 /nfs/dbraw/zinc/17/16/26/937171626.db2.gz OKUKSWAESAKHOU-UWVGGRQHSA-N 1 2 261.329 1.109 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(F)s2)C1 ZINC001108437646 927663964 /nfs/dbraw/zinc/66/39/64/927663964.db2.gz OGRWXOIRWSPFLC-AWEZNQCLSA-N 1 2 298.383 1.894 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(F)s2)C1 ZINC001108437646 927663969 /nfs/dbraw/zinc/66/39/69/927663969.db2.gz OGRWXOIRWSPFLC-AWEZNQCLSA-N 1 2 298.383 1.894 20 30 CDEDLO C=CCO[C@@H](C)C(=O)NC[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001104005905 937184156 /nfs/dbraw/zinc/18/41/56/937184156.db2.gz OJPGYOIUUCGGAE-NEPJUHHUSA-N 1 2 292.383 1.540 20 30 CDEDLO Cc1c[nH]c2nc(Cl)cc(N3CC[NH2+]C[C@@H]3C#N)c12 ZINC001156327922 928129337 /nfs/dbraw/zinc/12/93/37/928129337.db2.gz SFSYAHIYHYJFQQ-VIFPVBQESA-N 1 2 275.743 1.827 20 30 CDEDLO C=CCCC(=O)N1CCO[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001111937571 937257345 /nfs/dbraw/zinc/25/73/45/937257345.db2.gz QXWVVSAZJGHKQN-CYBMUJFWSA-N 1 2 290.367 1.391 20 30 CDEDLO C#Cc1cncc(C(=O)N[C@@H](C)CNc2cc[nH+]c(C)n2)c1 ZINC001108679664 928606248 /nfs/dbraw/zinc/60/62/48/928606248.db2.gz SWINBXMYLCCYEF-NSHDSACASA-N 1 2 295.346 1.392 20 30 CDEDLO C=CCOC[C@@H](O)C[NH2+][C@@H](CC(C)C)C(=O)OCC=C ZINC001252485025 928650101 /nfs/dbraw/zinc/65/01/01/928650101.db2.gz AJFQQMQMKANZCO-KBPBESRZSA-N 1 2 285.384 1.283 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(C)=O)C2 ZINC001108924156 928724414 /nfs/dbraw/zinc/72/44/14/928724414.db2.gz KMTBPZCVNJUPCG-RDBSUJKOSA-N 1 2 262.353 1.100 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(C)=O)C2 ZINC001108924156 928724417 /nfs/dbraw/zinc/72/44/17/928724417.db2.gz KMTBPZCVNJUPCG-RDBSUJKOSA-N 1 2 262.353 1.100 20 30 CDEDLO Cc1nc(N2CC[C@](C)(NC(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001110736047 928755622 /nfs/dbraw/zinc/75/56/22/928755622.db2.gz QQKNGXNWPPWVDL-YGRLFVJLSA-N 1 2 273.340 1.030 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N[C@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001108995862 928759036 /nfs/dbraw/zinc/75/90/36/928759036.db2.gz LDROUCJPQNWOLS-NEPJUHHUSA-N 1 2 292.383 1.317 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(N)=O ZINC001109767667 929039998 /nfs/dbraw/zinc/03/99/98/929039998.db2.gz FQULKZXUVNTKPR-RNJOBUHISA-N 1 2 293.411 1.184 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(N)=O ZINC001109767667 929040009 /nfs/dbraw/zinc/04/00/09/929040009.db2.gz FQULKZXUVNTKPR-RNJOBUHISA-N 1 2 293.411 1.184 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCOCC(C)C)CC1 ZINC001112642141 929273643 /nfs/dbraw/zinc/27/36/43/929273643.db2.gz ZJDVMFYEIYCTMK-UHFFFAOYSA-N 1 2 254.374 1.379 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](CC)SC)CC1 ZINC001112768649 929402035 /nfs/dbraw/zinc/40/20/35/929402035.db2.gz HTRZLSLMBMEORJ-ZDUSSCGKSA-N 1 2 286.441 1.475 20 30 CDEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001153134725 937421930 /nfs/dbraw/zinc/42/19/30/937421930.db2.gz HUVLITCRMAJFJV-NSHDSACASA-N 1 2 293.367 1.349 20 30 CDEDLO C#CCN(CC1CC1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001116366187 937444179 /nfs/dbraw/zinc/44/41/79/937444179.db2.gz KTSJVUSWVBNOME-OAHLLOKOSA-N 1 2 298.390 1.715 20 30 CDEDLO C#CC[N@H+](CC1CC1)CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC001116368813 937444225 /nfs/dbraw/zinc/44/42/25/937444225.db2.gz HSJSEPDNUAQXCP-INIZCTEOSA-N 1 2 276.380 1.710 20 30 CDEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC001116368813 937444227 /nfs/dbraw/zinc/44/42/27/937444227.db2.gz HSJSEPDNUAQXCP-INIZCTEOSA-N 1 2 276.380 1.710 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1nnc(-c2cccc(F)c2)o1 ZINC001116396805 937445708 /nfs/dbraw/zinc/44/57/08/937445708.db2.gz QFCHGGJLJJDHHX-UHFFFAOYSA-N 1 2 289.310 1.957 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1nnc(-c2cccc(F)c2)o1 ZINC001116396805 937445711 /nfs/dbraw/zinc/44/57/11/937445711.db2.gz QFCHGGJLJJDHHX-UHFFFAOYSA-N 1 2 289.310 1.957 20 30 CDEDLO C[C@@H]1CC(=O)CC[C@@H]1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001116476148 937450561 /nfs/dbraw/zinc/45/05/61/937450561.db2.gz UJPHKEKHHANLMR-YPMHNXCESA-N 1 2 277.368 1.096 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCOC)cc1 ZINC000819957429 930858203 /nfs/dbraw/zinc/85/82/03/930858203.db2.gz WLYDCLZUHIAWTB-HNNXBMFYSA-N 1 2 288.347 1.705 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCOC)cc1 ZINC000819957429 930858207 /nfs/dbraw/zinc/85/82/07/930858207.db2.gz WLYDCLZUHIAWTB-HNNXBMFYSA-N 1 2 288.347 1.705 20 30 CDEDLO CC[C@H](C)N1CC2(C[NH+](CCCCC#N)C2)OCC1=O ZINC001274040060 931139971 /nfs/dbraw/zinc/13/99/71/931139971.db2.gz FOTCIMAHRUWOPH-ZDUSSCGKSA-N 1 2 279.384 1.392 20 30 CDEDLO N#CCc1ccccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC001136818259 931397307 /nfs/dbraw/zinc/39/73/07/931397307.db2.gz RDYQTQYJOTWFKM-UHFFFAOYSA-N 1 2 254.293 1.448 20 30 CDEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001274854356 931594700 /nfs/dbraw/zinc/59/47/00/931594700.db2.gz GSMFKHDPPBPCJP-CQSZACIVSA-N 1 2 296.374 1.238 20 30 CDEDLO CC(C)C[C@@H](C#N)NC(=O)c1nc2c(s1)C[N@H+](C)CC2 ZINC001154224107 937519424 /nfs/dbraw/zinc/51/94/24/937519424.db2.gz OUWMVXRJTNJUSO-JTQLQIEISA-N 1 2 292.408 1.799 20 30 CDEDLO CC(C)C[C@@H](C#N)NC(=O)c1nc2c(s1)C[N@@H+](C)CC2 ZINC001154224107 937519427 /nfs/dbraw/zinc/51/94/27/937519427.db2.gz OUWMVXRJTNJUSO-JTQLQIEISA-N 1 2 292.408 1.799 20 30 CDEDLO N#C[C@@H]1C[C@H](F)CN1C(=O)c1cccc2[nH+]ccn21 ZINC001154521386 937553246 /nfs/dbraw/zinc/55/32/46/937553246.db2.gz DNZPJTALNQOZBE-UWVGGRQHSA-N 1 2 258.256 1.410 20 30 CDEDLO C[N@@H+]1CCC12CN(C(=O)c1ccc(Cl)c(C#N)c1)C2 ZINC001275731153 931983896 /nfs/dbraw/zinc/98/38/96/931983896.db2.gz CXXIMVBYWPNMTD-UHFFFAOYSA-N 1 2 275.739 1.742 20 30 CDEDLO C[N@H+]1CCC12CN(C(=O)c1ccc(Cl)c(C#N)c1)C2 ZINC001275731153 931983901 /nfs/dbraw/zinc/98/39/01/931983901.db2.gz CXXIMVBYWPNMTD-UHFFFAOYSA-N 1 2 275.739 1.742 20 30 CDEDLO CC(=O)[C@@H]1C[N@H+]([C@@H](C)Cc2cccc(C#N)c2)CCO1 ZINC001171231020 932061943 /nfs/dbraw/zinc/06/19/43/932061943.db2.gz GQDYOJAHBRLBRG-LRDDRELGSA-N 1 2 272.348 1.779 20 30 CDEDLO CC(=O)[C@@H]1C[N@@H+]([C@@H](C)Cc2cccc(C#N)c2)CCO1 ZINC001171231020 932061946 /nfs/dbraw/zinc/06/19/46/932061946.db2.gz GQDYOJAHBRLBRG-LRDDRELGSA-N 1 2 272.348 1.779 20 30 CDEDLO NC(=O)c1ccc(C(=[NH2+])Nc2ccn3ccnc3c2)cc1 ZINC001171256399 932153189 /nfs/dbraw/zinc/15/31/89/932153189.db2.gz MQLPUUQXMXPJLC-UHFFFAOYSA-N 1 2 279.303 1.470 20 30 CDEDLO N=C(Nc1ccn2cc[nH+]c2c1)c1ccc(C(N)=O)cc1 ZINC001171256399 932153192 /nfs/dbraw/zinc/15/31/92/932153192.db2.gz MQLPUUQXMXPJLC-UHFFFAOYSA-N 1 2 279.303 1.470 20 30 CDEDLO COc1ccc2cc(N[C@@H]3C(=O)N(O)C[C@@H]3C)[nH+]cc2c1 ZINC001171363756 932868779 /nfs/dbraw/zinc/86/87/79/932868779.db2.gz PREXVAFRLDSDQJ-XPTSAGLGSA-N 1 2 287.319 1.891 20 30 CDEDLO C=CCN(C)c1nnnn1CCCc1cccc(C)[nH+]1 ZINC001119624064 937740705 /nfs/dbraw/zinc/74/07/05/937740705.db2.gz DOGSDBVVMITFQA-UHFFFAOYSA-N 1 2 272.356 1.632 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)on1 ZINC001010457842 935459242 /nfs/dbraw/zinc/45/92/42/935459242.db2.gz OJIJJOZNVZDGNV-GFCCVEGCSA-N 1 2 299.334 1.187 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)on1 ZINC001010457842 935459247 /nfs/dbraw/zinc/45/92/47/935459247.db2.gz OJIJJOZNVZDGNV-GFCCVEGCSA-N 1 2 299.334 1.187 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001015827563 935588531 /nfs/dbraw/zinc/58/85/31/935588531.db2.gz SBEKEMOMDGBRSO-IHRRRGAJSA-N 1 2 298.814 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001015827563 935588536 /nfs/dbraw/zinc/58/85/36/935588536.db2.gz SBEKEMOMDGBRSO-IHRRRGAJSA-N 1 2 298.814 1.911 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C2CCC(OC)CC2)C1 ZINC001043692482 935842549 /nfs/dbraw/zinc/84/25/49/935842549.db2.gz NFTXXURXHAIDRG-UHFFFAOYSA-N 1 2 266.385 1.520 20 30 CDEDLO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]ncc1F)C2 ZINC001095976758 935859779 /nfs/dbraw/zinc/85/97/79/935859779.db2.gz SOIDKWYEIDVYBW-USWWRNFRSA-N 1 2 278.331 1.460 20 30 CDEDLO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]ncc1F)C2 ZINC001095976758 935859782 /nfs/dbraw/zinc/85/97/82/935859782.db2.gz SOIDKWYEIDVYBW-USWWRNFRSA-N 1 2 278.331 1.460 20 30 CDEDLO Cc1nc(N2CCC[C@@H](NC(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001096153100 935988257 /nfs/dbraw/zinc/98/82/57/935988257.db2.gz VPYHFEJCWFZGTE-CMPLNLGQSA-N 1 2 273.340 1.030 20 30 CDEDLO COc1ccc(NC(=O)[C@@H](C)n2cc[nH+]c2)cc1C#N ZINC001413435381 936037640 /nfs/dbraw/zinc/03/76/40/936037640.db2.gz ZPOGAEHRJBCEBP-SNVBAGLBSA-N 1 2 270.292 1.963 20 30 CDEDLO COc1cc2cnc(N3CC[NH2+]C[C@@H]3C#N)cc2cc1OC ZINC001156327951 938352969 /nfs/dbraw/zinc/35/29/69/938352969.db2.gz URNJNUFBEGVEPW-ZDUSSCGKSA-N 1 2 298.346 1.554 20 30 CDEDLO C[NH+]1CC(NC(=O)c2cc3cc(C#N)ccc3[nH]2)C1 ZINC001156461455 938370273 /nfs/dbraw/zinc/37/02/73/938370273.db2.gz OHZCOPGOLMUYOG-UHFFFAOYSA-N 1 2 254.293 1.083 20 30 CDEDLO N#Cc1cccc(C(=O)N2CCC[C@@](F)(C[NH3+])CC2)c1O ZINC001157765995 938543034 /nfs/dbraw/zinc/54/30/34/938543034.db2.gz YMMNQLXGZYGONQ-HNNXBMFYSA-N 1 2 291.326 1.557 20 30 CDEDLO C#CCO[C@H](C)C(=O)NCCC[NH2+]CC(F)(F)C(F)F ZINC001157880157 938557190 /nfs/dbraw/zinc/55/71/90/938557190.db2.gz MLGIVXAYEZAKLX-SECBINFHSA-N 1 2 298.280 1.021 20 30 CDEDLO C#CCOCCOCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001160671129 938811025 /nfs/dbraw/zinc/81/10/25/938811025.db2.gz IATGCXDKODQRIU-UHFFFAOYSA-N 1 2 277.368 1.987 20 30 CDEDLO C#CCOCCOCCNc1[nH+]cc(C)cc1OC ZINC001160671370 938811401 /nfs/dbraw/zinc/81/14/01/938811401.db2.gz NJBMTELJFOPHCV-UHFFFAOYSA-N 1 2 264.325 1.477 20 30 CDEDLO N#Cc1c(F)ccnc1N[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC001160723399 938820112 /nfs/dbraw/zinc/82/01/12/938820112.db2.gz GOHXKBSQEAFDQJ-KBPBESRZSA-N 1 2 290.342 1.758 20 30 CDEDLO C#CCCN1CCC[C@H](Nc2[nH+]cc(OC)cc2C)C1=O ZINC001160898462 938840411 /nfs/dbraw/zinc/84/04/11/938840411.db2.gz OJHQMMLMDJNXJQ-AWEZNQCLSA-N 1 2 287.363 1.825 20 30 CDEDLO Cc1ccc(CC#N)c(NC[C@H]([NH3+])C(=O)OC(C)(C)C)n1 ZINC001162855835 939154485 /nfs/dbraw/zinc/15/44/85/939154485.db2.gz PZZYGNDFXSMXBU-LBPRGKRZSA-N 1 2 290.367 1.537 20 30 CDEDLO CCc1cc(C[N@@H+]2CCO[C@H](COC)C2)ccc1C#N ZINC001238768804 945244307 /nfs/dbraw/zinc/24/43/07/945244307.db2.gz MTMOQLOPQNNUFX-INIZCTEOSA-N 1 2 274.364 1.968 20 30 CDEDLO CCc1cc(C[N@H+]2CCO[C@H](COC)C2)ccc1C#N ZINC001238768804 945244312 /nfs/dbraw/zinc/24/43/12/945244312.db2.gz MTMOQLOPQNNUFX-INIZCTEOSA-N 1 2 274.364 1.968 20 30 CDEDLO Cc1cc(N2CC[NH2+]CC(F)(F)C2)ncc1C#N ZINC001164492866 939479003 /nfs/dbraw/zinc/47/90/03/939479003.db2.gz ITKUFLYJGVCQHI-UHFFFAOYSA-N 1 2 252.268 1.307 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001164641128 939500843 /nfs/dbraw/zinc/50/08/43/939500843.db2.gz GESMZDDHKFCKBX-JTQLQIEISA-N 1 2 283.291 1.445 20 30 CDEDLO COc1ccc(C[NH2+]Cc2ccc(C#N)cn2)nc1 ZINC001206121132 939983176 /nfs/dbraw/zinc/98/31/76/939983176.db2.gz HYHKDNUAXJJHDN-UHFFFAOYSA-N 1 2 254.293 1.647 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1C ZINC001206489932 940048554 /nfs/dbraw/zinc/04/85/54/940048554.db2.gz CEWSDUHGTFHART-CHWSQXEVSA-N 1 2 276.384 1.323 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1C ZINC001206489932 940048556 /nfs/dbraw/zinc/04/85/56/940048556.db2.gz CEWSDUHGTFHART-CHWSQXEVSA-N 1 2 276.384 1.323 20 30 CDEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](CC(=C)Cl)C[C@H]1C ZINC001206607647 940070482 /nfs/dbraw/zinc/07/04/82/940070482.db2.gz ULSAPGSPHXQQJO-ZYHUDNBSSA-N 1 2 272.776 1.378 20 30 CDEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](CC(=C)Cl)C[C@H]1C ZINC001206607647 940070483 /nfs/dbraw/zinc/07/04/83/940070483.db2.gz ULSAPGSPHXQQJO-ZYHUDNBSSA-N 1 2 272.776 1.378 20 30 CDEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2coc(C)n2)C[C@H]1C ZINC001206613926 940071724 /nfs/dbraw/zinc/07/17/24/940071724.db2.gz KFIIIAZCYJHLDP-BXUZGUMPSA-N 1 2 293.367 1.122 20 30 CDEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2coc(C)n2)C[C@H]1C ZINC001206613926 940071728 /nfs/dbraw/zinc/07/17/28/940071728.db2.gz KFIIIAZCYJHLDP-BXUZGUMPSA-N 1 2 293.367 1.122 20 30 CDEDLO Cn1cc(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)cc1C#N ZINC001207102620 940150233 /nfs/dbraw/zinc/15/02/33/940150233.db2.gz CPQJERUCXFKLCL-VXGBXAGGSA-N 1 2 251.305 1.049 20 30 CDEDLO Cn1cc(C[N@H+]2C[C@H](F)C[C@@H](CO)C2)cc1C#N ZINC001207102620 940150236 /nfs/dbraw/zinc/15/02/36/940150236.db2.gz CPQJERUCXFKLCL-VXGBXAGGSA-N 1 2 251.305 1.049 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnc(Cl)cc2C)CC1 ZINC001209636104 940621289 /nfs/dbraw/zinc/62/12/89/940621289.db2.gz PAMDGDWKWDQOPW-UHFFFAOYSA-N 1 2 263.772 1.794 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1-c1cc(C#N)ccc1F ZINC001214590674 940832263 /nfs/dbraw/zinc/83/22/63/940832263.db2.gz RDJAEIDBUGJDNP-UHFFFAOYSA-N 1 2 274.255 1.642 20 30 CDEDLO CC1=CC(=O)c2c(O[C@@H]3C[NH2+]CC3(F)F)cccc2C1=O ZINC001218237337 941047908 /nfs/dbraw/zinc/04/79/08/941047908.db2.gz UQOAFVRYQZHJBB-GFCCVEGCSA-N 1 2 293.269 1.998 20 30 CDEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001219709209 941382324 /nfs/dbraw/zinc/38/23/24/941382324.db2.gz UUULXMDJIUIGSQ-DUVUQDDDSA-N 1 2 286.803 1.503 20 30 CDEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001219709209 941382328 /nfs/dbraw/zinc/38/23/28/941382328.db2.gz UUULXMDJIUIGSQ-DUVUQDDDSA-N 1 2 286.803 1.503 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C#CC(C)C)[C@@H]2C1 ZINC001221529955 941541245 /nfs/dbraw/zinc/54/12/45/941541245.db2.gz SZMHZEGPWLSSPR-ZIAGYGMSSA-N 1 2 280.799 1.931 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C#CC(C)C)[C@@H]2C1 ZINC001221529955 941541247 /nfs/dbraw/zinc/54/12/47/941541247.db2.gz SZMHZEGPWLSSPR-ZIAGYGMSSA-N 1 2 280.799 1.931 20 30 CDEDLO C=CCn1cc(-c2ccc([C@H]([NH3+])C(=O)OC)cc2)cn1 ZINC001222405493 941591382 /nfs/dbraw/zinc/59/13/82/941591382.db2.gz NEMMPDXKFNIMGN-AWEZNQCLSA-N 1 2 271.320 1.909 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CO/C(=N\O)c2cc(F)ccc2F)C1 ZINC001223889205 941704632 /nfs/dbraw/zinc/70/46/32/941704632.db2.gz ADKPSQQKSCDHNA-JITTUONFSA-N 1 2 286.278 1.448 20 30 CDEDLO C[N@H+]1CCO[C@@H](CO/C(=N\O)c2cc(F)ccc2F)C1 ZINC001223889205 941704637 /nfs/dbraw/zinc/70/46/37/941704637.db2.gz ADKPSQQKSCDHNA-JITTUONFSA-N 1 2 286.278 1.448 20 30 CDEDLO O=C1C=C[C@H](OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001224961335 941810176 /nfs/dbraw/zinc/81/01/76/941810176.db2.gz OVLZMBLVFFNTOL-IRXDYDNUSA-N 1 2 287.359 1.802 20 30 CDEDLO O=C1C=C[C@H](OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001224961335 941810178 /nfs/dbraw/zinc/81/01/78/941810178.db2.gz OVLZMBLVFFNTOL-IRXDYDNUSA-N 1 2 287.359 1.802 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4cnoc4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226449236 942007072 /nfs/dbraw/zinc/00/70/72/942007072.db2.gz OAYGUIPESGZVSI-KYFMZXIUSA-N 1 2 272.304 1.819 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4cnoc4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226449236 942007073 /nfs/dbraw/zinc/00/70/73/942007073.db2.gz OAYGUIPESGZVSI-KYFMZXIUSA-N 1 2 272.304 1.819 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NCCCC ZINC001231121263 942793266 /nfs/dbraw/zinc/79/32/66/942793266.db2.gz BDXMRECXUAGKPY-CQSZACIVSA-N 1 2 295.427 1.402 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NCCCC ZINC001231121263 942793272 /nfs/dbraw/zinc/79/32/72/942793272.db2.gz BDXMRECXUAGKPY-CQSZACIVSA-N 1 2 295.427 1.402 20 30 CDEDLO Cc1noc(C)c1C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231248398 942835074 /nfs/dbraw/zinc/83/50/74/942835074.db2.gz VRSZPCVLFYUEME-GXFFZTMASA-N 1 2 290.367 1.484 20 30 CDEDLO Cc1noc(C)c1C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231248398 942835081 /nfs/dbraw/zinc/83/50/81/942835081.db2.gz VRSZPCVLFYUEME-GXFFZTMASA-N 1 2 290.367 1.484 20 30 CDEDLO C#Cc1cccc(C[NH+]2CCN(C(=O)OCC)CC2)c1 ZINC001231662447 942965112 /nfs/dbraw/zinc/96/51/12/942965112.db2.gz FSMFNMHKWXBHDI-UHFFFAOYSA-N 1 2 272.348 1.942 20 30 CDEDLO N#CC1(NC(=O)[C@@H]2CC23C[NH+](Cc2cnco2)C3)CCC1 ZINC001277552938 942979892 /nfs/dbraw/zinc/97/98/92/942979892.db2.gz GKYRJCVGCVKDLV-LBPRGKRZSA-N 1 2 286.335 1.059 20 30 CDEDLO C[C@]1(CO)C[N@H+](Cc2cc(F)ccc2C#N)CC[C@H]1O ZINC001232888987 943426783 /nfs/dbraw/zinc/42/67/83/943426783.db2.gz XHWFZCHVOVQCAS-HUUCEWRRSA-N 1 2 278.327 1.263 20 30 CDEDLO C[C@]1(CO)C[N@@H+](Cc2cc(F)ccc2C#N)CC[C@H]1O ZINC001232888987 943426786 /nfs/dbraw/zinc/42/67/86/943426786.db2.gz XHWFZCHVOVQCAS-HUUCEWRRSA-N 1 2 278.327 1.263 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)C3CC3)C2)n1 ZINC001232927112 943437639 /nfs/dbraw/zinc/43/76/39/943437639.db2.gz RFIVCPFKLQKIGP-OAHLLOKOSA-N 1 2 284.363 1.444 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CC3)C2)n1 ZINC001232927112 943437642 /nfs/dbraw/zinc/43/76/42/943437642.db2.gz RFIVCPFKLQKIGP-OAHLLOKOSA-N 1 2 284.363 1.444 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2cnc(C)cc2C)CC1 ZINC001233009534 943459881 /nfs/dbraw/zinc/45/98/81/943459881.db2.gz ZLACHFXVXXTCBF-UHFFFAOYSA-N 1 2 287.363 1.977 20 30 CDEDLO Cc1cccc(N2CCN(Cc3[nH]ccc3C#N)CC2)[nH+]1 ZINC001233042767 943471627 /nfs/dbraw/zinc/47/16/27/943471627.db2.gz FCYILOJFJJFCKS-UHFFFAOYSA-N 1 2 281.363 1.912 20 30 CDEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2O)C[C@@H]1F ZINC001233383591 943569902 /nfs/dbraw/zinc/56/99/02/943569902.db2.gz NNNJNFBWSLPQSS-WCQYABFASA-N 1 2 250.273 1.433 20 30 CDEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2O)C[C@@H]1F ZINC001233383591 943569906 /nfs/dbraw/zinc/56/99/06/943569906.db2.gz NNNJNFBWSLPQSS-WCQYABFASA-N 1 2 250.273 1.433 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC(=O)N3CCC[C@H]3C2)c(O)c1 ZINC001233387115 943574586 /nfs/dbraw/zinc/57/45/86/943574586.db2.gz VOAYZZRSPSRPCC-ZDUSSCGKSA-N 1 2 271.320 1.070 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC(=O)N3CCC[C@H]3C2)c(O)c1 ZINC001233387115 943574589 /nfs/dbraw/zinc/57/45/89/943574589.db2.gz VOAYZZRSPSRPCC-ZDUSSCGKSA-N 1 2 271.320 1.070 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4c(cc[nH]c4=O)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233722789 943646787 /nfs/dbraw/zinc/64/67/87/943646787.db2.gz SLLCZFJTEGYVLG-KNMAVKMESA-N 1 2 298.342 1.519 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4c(cc[nH]c4=O)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233722789 943646788 /nfs/dbraw/zinc/64/67/88/943646788.db2.gz SLLCZFJTEGYVLG-KNMAVKMESA-N 1 2 298.342 1.519 20 30 CDEDLO Cc1ncsc1C[N@H+]1C[C@H]2C[C@@H](C1)N2CCC#N ZINC001277939541 944133815 /nfs/dbraw/zinc/13/38/15/944133815.db2.gz WJGFWGHMBUUCIT-TXEJJXNPSA-N 1 2 262.382 1.624 20 30 CDEDLO Cc1ncsc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2CCC#N ZINC001277939541 944133818 /nfs/dbraw/zinc/13/38/18/944133818.db2.gz WJGFWGHMBUUCIT-TXEJJXNPSA-N 1 2 262.382 1.624 20 30 CDEDLO C=CCOCC(=O)NCCC[N@@H+](C)Cc1nccs1 ZINC001235699488 944253747 /nfs/dbraw/zinc/25/37/47/944253747.db2.gz XJBVINFPORNXMS-UHFFFAOYSA-N 1 2 283.397 1.284 20 30 CDEDLO C=CCOCC(=O)NCCC[N@H+](C)Cc1nccs1 ZINC001235699488 944253753 /nfs/dbraw/zinc/25/37/53/944253753.db2.gz XJBVINFPORNXMS-UHFFFAOYSA-N 1 2 283.397 1.284 20 30 CDEDLO COc1cc(O)c(C[N@@H+]2CC[C@@H](C#N)C2)cc1OC ZINC001236751474 944557403 /nfs/dbraw/zinc/55/74/03/944557403.db2.gz FIXRDZQMBGQYNP-JTQLQIEISA-N 1 2 262.309 1.755 20 30 CDEDLO COc1cc(O)c(C[N@H+]2CC[C@@H](C#N)C2)cc1OC ZINC001236751474 944557409 /nfs/dbraw/zinc/55/74/09/944557409.db2.gz FIXRDZQMBGQYNP-JTQLQIEISA-N 1 2 262.309 1.755 20 30 CDEDLO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1ccnc(C#N)c1 ZINC001237468755 944798301 /nfs/dbraw/zinc/79/83/01/944798301.db2.gz LRUNVHMIIRMCMU-FZMZJTMJSA-N 1 2 275.352 1.973 20 30 CDEDLO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC001237468755 944798309 /nfs/dbraw/zinc/79/83/09/944798309.db2.gz LRUNVHMIIRMCMU-FZMZJTMJSA-N 1 2 275.352 1.973 20 30 CDEDLO Cn1cc(C[NH+]2CCN(C(N)=O)CC2)c2cc(C#N)ccc21 ZINC001237471005 944801389 /nfs/dbraw/zinc/80/13/89/944801389.db2.gz MKVUQOBRKDLVKT-UHFFFAOYSA-N 1 2 297.362 1.246 20 30 CDEDLO CCCCCCCCOC(=O)N1CC[NH2+][C@@H](C(N)=O)C1 ZINC001239333821 945419361 /nfs/dbraw/zinc/41/93/61/945419361.db2.gz CCZIAGAUMLIMPO-GFCCVEGCSA-N 1 2 285.388 1.243 20 30 CDEDLO C[C@@H]1CC(=O)C=C(c2nccnc2N2CC[NH+](C)CC2)C1 ZINC001242736595 946861618 /nfs/dbraw/zinc/86/16/18/946861618.db2.gz DBQDEVRZPPLKRZ-LBPRGKRZSA-N 1 2 286.379 1.611 20 30 CDEDLO CCOC(=O)C[NH+]1CCC(N(CCC#N)CCC#N)CC1 ZINC001254412273 947427512 /nfs/dbraw/zinc/42/75/12/947427512.db2.gz ZKNUADZMUMLNNS-UHFFFAOYSA-N 1 2 292.383 1.143 20 30 CDEDLO COc1ncnc2c1CC[N@@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC001254669282 947585780 /nfs/dbraw/zinc/58/57/80/947585780.db2.gz QHJZLNMDVIUYQK-QWRGUYRKSA-N 1 2 258.325 1.536 20 30 CDEDLO COc1ncnc2c1CC[N@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC001254669282 947585789 /nfs/dbraw/zinc/58/57/89/947585789.db2.gz QHJZLNMDVIUYQK-QWRGUYRKSA-N 1 2 258.325 1.536 20 30 CDEDLO CCNC(=O)CO[C@@H]1CCC[N@@H+]([C@H](CC)CC#N)C1 ZINC001255176319 947765569 /nfs/dbraw/zinc/76/55/69/947765569.db2.gz ZVDNDAUJUJRYOY-CHWSQXEVSA-N 1 2 267.373 1.296 20 30 CDEDLO CCNC(=O)CO[C@@H]1CCC[N@H+]([C@H](CC)CC#N)C1 ZINC001255176319 947765576 /nfs/dbraw/zinc/76/55/76/947765576.db2.gz ZVDNDAUJUJRYOY-CHWSQXEVSA-N 1 2 267.373 1.296 20 30 CDEDLO COC(=O)C1CCC([N@@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001257861853 948645248 /nfs/dbraw/zinc/64/52/48/948645248.db2.gz LWJUHLVEAWWUIT-KGPNIALWSA-N 1 2 295.404 1.992 20 30 CDEDLO COC(=O)C1CCC([N@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001257861853 948645251 /nfs/dbraw/zinc/64/52/51/948645251.db2.gz LWJUHLVEAWWUIT-KGPNIALWSA-N 1 2 295.404 1.992 20 30 CDEDLO C#CC[C@H]([NH3+])c1nc(-c2ccnc(C(C)=O)c2)no1 ZINC001247609498 948678170 /nfs/dbraw/zinc/67/81/70/948678170.db2.gz JPUNORXMRXAPIO-JTQLQIEISA-N 1 2 256.265 1.357 20 30 CDEDLO C=CCCNC(=S)NCc1ccc2[nH+]ccn2c1 ZINC001247690221 948704871 /nfs/dbraw/zinc/70/48/71/948704871.db2.gz IHNYRVDKHMBACR-UHFFFAOYSA-N 1 2 260.366 1.875 20 30 CDEDLO C=CCCCNC(=S)NCc1c[nH+]cn1CCOC ZINC001247771879 948765800 /nfs/dbraw/zinc/76/58/00/948765800.db2.gz NDLHDVIVOGTSES-UHFFFAOYSA-N 1 2 282.413 1.460 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc3ccc(C#N)cc3[nH]2)CC1 ZINC001249429766 949599050 /nfs/dbraw/zinc/59/90/50/949599050.db2.gz OSAOSARDHYCSFI-UHFFFAOYSA-N 1 2 278.359 1.790 20 30 CDEDLO C#CCN1CC[NH+](Cc2cc3ccc(C#N)cc3[nH]2)CC1 ZINC001249429766 949599060 /nfs/dbraw/zinc/59/90/60/949599060.db2.gz OSAOSARDHYCSFI-UHFFFAOYSA-N 1 2 278.359 1.790 20 30 CDEDLO C#Cc1cc(Nc2ccc3c(c2)OCC(=O)N3)cc[nH+]1 ZINC001249615127 949709622 /nfs/dbraw/zinc/70/96/22/949709622.db2.gz OMTYKTJDHWNMMN-UHFFFAOYSA-N 1 2 265.272 1.559 20 30 CDEDLO C#Cc1cc(Nc2ccc3c(c2)C(=O)N(C)C3)cc[nH+]1 ZINC001249972711 949919499 /nfs/dbraw/zinc/91/94/99/949919499.db2.gz WWSZRXDHRJTRIS-UHFFFAOYSA-N 1 2 263.300 1.814 20 30 CDEDLO CCOC(=O)C1CCC(O)(C[N@@H+]2CCCC[C@@H]2C#N)CC1 ZINC001251057759 950583259 /nfs/dbraw/zinc/58/32/59/950583259.db2.gz JLFLNVNMYRPJOX-NPCAHTBFSA-N 1 2 294.395 1.849 20 30 CDEDLO CCOC(=O)C1CCC(O)(C[N@H+]2CCCC[C@@H]2C#N)CC1 ZINC001251057759 950583267 /nfs/dbraw/zinc/58/32/67/950583267.db2.gz JLFLNVNMYRPJOX-NPCAHTBFSA-N 1 2 294.395 1.849 20 30 CDEDLO C#CCOC[C@H](O)C[NH2+][C@@H](CC1CCCCC1)C(=O)OC ZINC001251888464 950918641 /nfs/dbraw/zinc/91/86/41/950918641.db2.gz ULKVPYVGVICFGU-CABCVRRESA-N 1 2 297.395 1.099 20 30 CDEDLO C#CCOC[C@H](O)C[NH2+][C@H](C(=O)OC(C)(C)C)[C@@H](C)CC ZINC001251888302 950918761 /nfs/dbraw/zinc/91/87/61/950918761.db2.gz RJMTYZIDYLHSLU-MJBXVCDLSA-N 1 2 299.411 1.343 20 30 CDEDLO C=C[C@@](C)(O)C[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC001252554620 951447119 /nfs/dbraw/zinc/44/71/19/951447119.db2.gz IQQJORRYGIFAIM-DGCLKSJQSA-N 1 2 251.330 1.842 20 30 CDEDLO C=C[C@@](C)(O)C[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC001252554620 951447125 /nfs/dbraw/zinc/44/71/25/951447125.db2.gz IQQJORRYGIFAIM-DGCLKSJQSA-N 1 2 251.330 1.842 20 30 CDEDLO C=C[C@@](C)(O)C[N@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC001252559625 951456519 /nfs/dbraw/zinc/45/65/19/951456519.db2.gz KNPCGNTZRDNOEY-GOEBONIOSA-N 1 2 275.348 1.523 20 30 CDEDLO C=C[C@@](C)(O)C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC001252559625 951456524 /nfs/dbraw/zinc/45/65/24/951456524.db2.gz KNPCGNTZRDNOEY-GOEBONIOSA-N 1 2 275.348 1.523 20 30 CDEDLO C=CCCCCCC[C@H](O)C[N@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001253238798 951823153 /nfs/dbraw/zinc/82/31/53/951823153.db2.gz HWFCOCCOUIWKLH-IHRRRGAJSA-N 1 2 286.391 1.772 20 30 CDEDLO C=CCCCCCC[C@H](O)C[N@@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001253238798 951823159 /nfs/dbraw/zinc/82/31/59/951823159.db2.gz HWFCOCCOUIWKLH-IHRRRGAJSA-N 1 2 286.391 1.772 20 30 CDEDLO CCc1[nH]c(CNC(=O)c2ccccc2CC#N)c[nH+]1 ZINC001303974941 956139112 /nfs/dbraw/zinc/13/91/12/956139112.db2.gz QOCFCFNQQHOFMS-UHFFFAOYSA-N 1 2 268.320 1.968 20 30 CDEDLO CCc1[nH]cc(CNC(=O)c2ccccc2CC#N)[nH+]1 ZINC001303974941 956139119 /nfs/dbraw/zinc/13/91/19/956139119.db2.gz QOCFCFNQQHOFMS-UHFFFAOYSA-N 1 2 268.320 1.968 20 30 CDEDLO C#CC[N@H+](CC1CC1)Cn1cc(Br)cn1 ZINC001319462174 958579941 /nfs/dbraw/zinc/57/99/41/958579941.db2.gz SSWXCVVPYIHNBU-UHFFFAOYSA-N 1 2 268.158 1.948 20 30 CDEDLO C#CC[N@@H+](CC1CC1)Cn1cc(Br)cn1 ZINC001319462174 958579952 /nfs/dbraw/zinc/57/99/52/958579952.db2.gz SSWXCVVPYIHNBU-UHFFFAOYSA-N 1 2 268.158 1.948 20 30 CDEDLO C=CCn1cnn(C[N@H+]2CCC[C@@H]2C[C@H](C)O)c1=S ZINC001319547078 958622235 /nfs/dbraw/zinc/62/22/35/958622235.db2.gz RGKATGWIYHHFLP-NWDGAFQWSA-N 1 2 282.413 1.793 20 30 CDEDLO C=CCn1cnn(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c1=S ZINC001319547078 958622246 /nfs/dbraw/zinc/62/22/46/958622246.db2.gz RGKATGWIYHHFLP-NWDGAFQWSA-N 1 2 282.413 1.793 20 30 CDEDLO C#CCN(CC1CC1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001320462227 959183545 /nfs/dbraw/zinc/18/35/45/959183545.db2.gz YVXZUBQMQPHBRC-CYBMUJFWSA-N 1 2 272.352 1.253 20 30 CDEDLO C=CC[C@@H]1NC(=O)N(Cc2[nH+]cc(C)c(OC)c2C)C1=O ZINC001320770342 959381523 /nfs/dbraw/zinc/38/15/23/959381523.db2.gz BLXOBWQEDYAAQG-NSHDSACASA-N 1 2 289.335 1.704 20 30 CDEDLO C#Cc1cccc(NC(=O)C[NH2+]C[C@@H](C#N)CCC#N)c1 ZINC001335302038 959693494 /nfs/dbraw/zinc/69/34/94/959693494.db2.gz SVAQTLSJWZXHFE-CQSZACIVSA-N 1 2 280.331 1.640 20 30 CDEDLO C#Cc1ccc(NC(=O)NCC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001336483772 960363332 /nfs/dbraw/zinc/36/33/32/960363332.db2.gz VQRWRZKERXOMFG-ZDUSSCGKSA-N 1 2 287.363 1.510 20 30 CDEDLO C#Cc1ccc(NC(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001336483772 960363338 /nfs/dbraw/zinc/36/33/38/960363338.db2.gz VQRWRZKERXOMFG-ZDUSSCGKSA-N 1 2 287.363 1.510 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)[C@H](C)c1ncccn1 ZINC001418710687 960936402 /nfs/dbraw/zinc/93/64/02/960936402.db2.gz ISRJDWCCVZTFDW-QWHCGFSZSA-N 1 2 289.383 1.525 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)[C@H](C)c1ncccn1 ZINC001418710687 960936414 /nfs/dbraw/zinc/93/64/14/960936414.db2.gz ISRJDWCCVZTFDW-QWHCGFSZSA-N 1 2 289.383 1.525 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C[C@H]1CCCO1 ZINC001420370984 962804386 /nfs/dbraw/zinc/80/43/86/962804386.db2.gz JKPVCIKATSPSRF-GFCCVEGCSA-N 1 2 274.792 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C[C@H]1CCCO1 ZINC001420370984 962804396 /nfs/dbraw/zinc/80/43/96/962804396.db2.gz JKPVCIKATSPSRF-GFCCVEGCSA-N 1 2 274.792 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CO[C@@H](C)CC ZINC001438867056 963582507 /nfs/dbraw/zinc/58/25/07/963582507.db2.gz NHWFIKPPKRROLN-LBPRGKRZSA-N 1 2 276.808 1.944 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CO[C@@H](C)CC ZINC001438867056 963582513 /nfs/dbraw/zinc/58/25/13/963582513.db2.gz NHWFIKPPKRROLN-LBPRGKRZSA-N 1 2 276.808 1.944 20 30 CDEDLO C#C[C@H](C)N(C)c1nnc(C[NH+]2CCCCC2)n1CC=C ZINC001342099639 963637806 /nfs/dbraw/zinc/63/78/06/963637806.db2.gz KAJFVRDPHRBEEF-AWEZNQCLSA-N 1 2 287.411 1.908 20 30 CDEDLO C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)[C@H](C)CC#N ZINC001342299091 963702127 /nfs/dbraw/zinc/70/21/27/963702127.db2.gz MBGORJLSSFUMSB-OLZOCXBDSA-N 1 2 288.399 1.969 20 30 CDEDLO C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)[C@H](C)CC#N ZINC001342299091 963702132 /nfs/dbraw/zinc/70/21/32/963702132.db2.gz MBGORJLSSFUMSB-OLZOCXBDSA-N 1 2 288.399 1.969 20 30 CDEDLO C=C(C)CONC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001346180573 964973181 /nfs/dbraw/zinc/97/31/81/964973181.db2.gz CYNPZSNKQAFDTR-CYBMUJFWSA-N 1 2 292.383 1.892 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)CCCC(C)=O)C1 ZINC001442837186 965238617 /nfs/dbraw/zinc/23/86/17/965238617.db2.gz LTJVHJOUJHHSOJ-CYBMUJFWSA-N 1 2 286.803 1.936 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)CCCC(C)=O)C1 ZINC001442837186 965238625 /nfs/dbraw/zinc/23/86/25/965238625.db2.gz LTJVHJOUJHHSOJ-CYBMUJFWSA-N 1 2 286.803 1.936 20 30 CDEDLO C[C@H](C#N)C(=O)NC1C[NH+](Cc2cccc3cccnc32)C1 ZINC001443460988 965478470 /nfs/dbraw/zinc/47/84/70/965478470.db2.gz LSTSJFNYHFOVNP-GFCCVEGCSA-N 1 2 294.358 1.695 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1c[nH]nc1CC ZINC001445767562 966328886 /nfs/dbraw/zinc/32/88/86/966328886.db2.gz VAVQSLLXEZBOEI-JTQLQIEISA-N 1 2 284.791 1.775 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1c[nH]nc1CC ZINC001445767562 966328897 /nfs/dbraw/zinc/32/88/97/966328897.db2.gz VAVQSLLXEZBOEI-JTQLQIEISA-N 1 2 284.791 1.775 20 30 CDEDLO C=CCN(CC=C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001349468049 966356569 /nfs/dbraw/zinc/35/65/69/966356569.db2.gz REYWDVQNPKKFSD-KGLIPLIRSA-N 1 2 280.416 1.004 20 30 CDEDLO C=CCN(CC=C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001349468049 966356575 /nfs/dbraw/zinc/35/65/75/966356575.db2.gz REYWDVQNPKKFSD-KGLIPLIRSA-N 1 2 280.416 1.004 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc(CC)n(C)n1 ZINC001448139527 967013044 /nfs/dbraw/zinc/01/30/44/967013044.db2.gz LMOTVAMUJCIJLG-NSHDSACASA-N 1 2 298.818 1.785 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(CC)n(C)n1 ZINC001448139527 967013045 /nfs/dbraw/zinc/01/30/45/967013045.db2.gz LMOTVAMUJCIJLG-NSHDSACASA-N 1 2 298.818 1.785 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)NCC1CCC(C#N)CC1 ZINC001548700488 967754923 /nfs/dbraw/zinc/75/49/23/967754923.db2.gz MGBOCXGHHCPHFE-UHFFFAOYSA-N 1 2 274.368 1.799 20 30 CDEDLO COc1ncc(NC(=O)CCn2cc[nH+]c2)cc1C#N ZINC001455603614 968748487 /nfs/dbraw/zinc/74/84/87/968748487.db2.gz CFSVJLIJNVTAMV-UHFFFAOYSA-N 1 2 271.280 1.187 20 30 CDEDLO COC(=O)c1ccc(NCc2ccc[nH+]c2N)c(C#N)n1 ZINC001458386165 969294968 /nfs/dbraw/zinc/29/49/68/969294968.db2.gz WTRJESYWWAKXIE-UHFFFAOYSA-N 1 2 283.291 1.329 20 30 CDEDLO N#C[C@H]1CC[C@H]([NH2+]Cc2nc(C(F)(F)F)n[nH]2)C1 ZINC001462688517 969710953 /nfs/dbraw/zinc/71/09/53/969710953.db2.gz JOCUMPBXAPTNAL-BQBZGAKWSA-N 1 2 259.235 1.605 20 30 CDEDLO N#Cc1ccc(CNC(=O)Cc2[nH]cc[nH+]2)cc1F ZINC001469015385 970214669 /nfs/dbraw/zinc/21/46/69/970214669.db2.gz GADLCNKVYXRRGU-UHFFFAOYSA-N 1 2 258.256 1.279 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)c1cc(F)c(C#N)c(F)c1 ZINC001471282986 970407624 /nfs/dbraw/zinc/40/76/24/970407624.db2.gz YHDUZECZVYMOSS-UHFFFAOYSA-N 1 2 276.246 1.500 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](C)n1cccn1 ZINC001371924673 972692388 /nfs/dbraw/zinc/69/23/88/972692388.db2.gz VBGVMOFJJABXGQ-LLVKDONJSA-N 1 2 270.764 1.245 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](C)n1cccn1 ZINC001371924673 972692396 /nfs/dbraw/zinc/69/23/96/972692396.db2.gz VBGVMOFJJABXGQ-LLVKDONJSA-N 1 2 270.764 1.245 20 30 CDEDLO C[N@H+](CCNC(=O)Cn1cccn1)Cc1ccccc1C#N ZINC001418438803 973830330 /nfs/dbraw/zinc/83/03/30/973830330.db2.gz WYTMATLCBBXZIR-UHFFFAOYSA-N 1 2 297.362 1.003 20 30 CDEDLO C[N@@H+](CCNC(=O)Cn1cccn1)Cc1ccccc1C#N ZINC001418438803 973830343 /nfs/dbraw/zinc/83/03/43/973830343.db2.gz WYTMATLCBBXZIR-UHFFFAOYSA-N 1 2 297.362 1.003 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cn(C(C)C)cn1 ZINC001418481479 973884810 /nfs/dbraw/zinc/88/48/10/973884810.db2.gz DKMULOZHISLAAU-UHFFFAOYSA-N 1 2 284.791 1.878 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cn(C(C)C)cn1 ZINC001418481479 973884814 /nfs/dbraw/zinc/88/48/14/973884814.db2.gz DKMULOZHISLAAU-UHFFFAOYSA-N 1 2 284.791 1.878 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc(C)ncn1 ZINC001379035606 975611007 /nfs/dbraw/zinc/61/10/07/975611007.db2.gz HPPZYWCJXYZKDL-UHFFFAOYSA-N 1 2 282.775 1.541 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc(C)ncn1 ZINC001379035606 975611011 /nfs/dbraw/zinc/61/10/11/975611011.db2.gz HPPZYWCJXYZKDL-UHFFFAOYSA-N 1 2 282.775 1.541 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)Cc2ncc[nH]2)C1 ZINC001405167959 975656367 /nfs/dbraw/zinc/65/63/67/975656367.db2.gz APYWDCLQDHVCPL-LBPRGKRZSA-N 1 2 296.802 1.628 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)Cc2ncc[nH]2)C1 ZINC001405167959 975656371 /nfs/dbraw/zinc/65/63/71/975656371.db2.gz APYWDCLQDHVCPL-LBPRGKRZSA-N 1 2 296.802 1.628 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCc2ccncc2)C1 ZINC001398309347 975938503 /nfs/dbraw/zinc/93/85/03/975938503.db2.gz MUXIHVCUVMTJAP-CQSZACIVSA-N 1 2 293.798 1.957 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCc2ccncc2)C1 ZINC001398309347 975938512 /nfs/dbraw/zinc/93/85/12/975938512.db2.gz MUXIHVCUVMTJAP-CQSZACIVSA-N 1 2 293.798 1.957 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)COCC)C1 ZINC001391628214 977002574 /nfs/dbraw/zinc/00/25/74/977002574.db2.gz NMKZORILFXVVKD-GFCCVEGCSA-N 1 2 274.792 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)COCC)C1 ZINC001391628214 977002581 /nfs/dbraw/zinc/00/25/81/977002581.db2.gz NMKZORILFXVVKD-GFCCVEGCSA-N 1 2 274.792 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@@H](C)n1cccn1 ZINC001403731913 977163903 /nfs/dbraw/zinc/16/39/03/977163903.db2.gz YNRRAYRSQCTVQA-GFCCVEGCSA-N 1 2 284.791 1.635 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@@H](C)n1cccn1 ZINC001403731913 977163911 /nfs/dbraw/zinc/16/39/11/977163911.db2.gz YNRRAYRSQCTVQA-GFCCVEGCSA-N 1 2 284.791 1.635 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001132395898 1163264823 /nfs/dbraw/zinc/26/48/23/1163264823.db2.gz STOUTBJHQFJBDL-SECBINFHSA-N 1 2 266.345 1.357 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1cnsn1 ZINC001132569777 1163377949 /nfs/dbraw/zinc/37/79/49/1163377949.db2.gz YNOORPWXQHWWBB-UWVGGRQHSA-N 1 2 268.386 1.202 20 30 CDEDLO CC#CCCCC(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001132593006 1163394432 /nfs/dbraw/zinc/39/44/32/1163394432.db2.gz LVZNJYSNBBPDJM-UHFFFAOYSA-N 1 2 278.356 1.031 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NCC[NH2+]Cc1nc(COC)no1 ZINC001132651355 1163424634 /nfs/dbraw/zinc/42/46/34/1163424634.db2.gz WRSYSVRNUXOTEU-NSHDSACASA-N 1 2 296.371 1.024 20 30 CDEDLO C#C[C@](C)(CC)Nc1ccc(Cn2cncn2)c[nH+]1 ZINC001158742509 1163508651 /nfs/dbraw/zinc/50/86/51/1163508651.db2.gz HNXHLBCWMTWZAU-CQSZACIVSA-N 1 2 255.325 1.935 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1Cc1ccc(F)c2cccnc12 ZINC000091748339 1174315950 /nfs/dbraw/zinc/31/59/50/1174315950.db2.gz GKGVLOXGCQQWDV-LBPRGKRZSA-N 1 2 270.311 1.671 20 30 CDEDLO C=C(C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cn[nH]n2)C1 ZINC001575048302 1171096266 /nfs/dbraw/zinc/09/62/66/1171096266.db2.gz BWDCLSFPKVTHFR-OLZOCXBDSA-N 1 2 291.399 1.678 20 30 CDEDLO C[C@]1(C#N)CCC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000585753981 342454671 /nfs/dbraw/zinc/45/46/71/342454671.db2.gz XVVBHZUMLFSPPT-QWHCGFSZSA-N 1 2 270.398 1.437 20 30 CDEDLO C[C@]1(C#N)CCC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000585753981 342454672 /nfs/dbraw/zinc/45/46/72/342454672.db2.gz XVVBHZUMLFSPPT-QWHCGFSZSA-N 1 2 270.398 1.437 20 30 CDEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC=CCC2)C1=O ZINC000611517200 346808100 /nfs/dbraw/zinc/80/81/00/346808100.db2.gz IFWYCBBVKYIXBH-GFCCVEGCSA-N 1 2 273.361 1.987 20 30 CDEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC=CCC2)C1=O ZINC000611517200 346808104 /nfs/dbraw/zinc/80/81/04/346808104.db2.gz IFWYCBBVKYIXBH-GFCCVEGCSA-N 1 2 273.361 1.987 20 30 CDEDLO N#C[C@H]1COCCN1C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000601245476 342539141 /nfs/dbraw/zinc/53/91/41/342539141.db2.gz FUUZGBKNJGMPSI-ZDUSSCGKSA-N 1 2 282.303 1.441 20 30 CDEDLO CN(C)c1ccc(CNC(=O)NCC(C)(C)C#N)c[nH+]1 ZINC000479275509 365566553 /nfs/dbraw/zinc/56/65/53/365566553.db2.gz GCDOCHASDVAEMD-UHFFFAOYSA-N 1 2 275.356 1.497 20 30 CDEDLO Cc1ccc(C[NH+]2CCN(C(=O)N(C)C)CC2)cc1C#N ZINC000599253045 343989539 /nfs/dbraw/zinc/98/95/39/343989539.db2.gz ZRVSDLLGZYBTCD-UHFFFAOYSA-N 1 2 286.379 1.666 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000124764229 187152661 /nfs/dbraw/zinc/15/26/61/187152661.db2.gz ALMBXTYPNBEBDL-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO CC[N@@H+]1CCN(S(=O)(=O)CC(C)(C)CC#N)C[C@H]1C ZINC000590750852 342587159 /nfs/dbraw/zinc/58/71/59/342587159.db2.gz JTINQZVUVRHRDN-GFCCVEGCSA-N 1 2 287.429 1.282 20 30 CDEDLO CC[N@H+]1CCN(S(=O)(=O)CC(C)(C)CC#N)C[C@H]1C ZINC000590750852 342587160 /nfs/dbraw/zinc/58/71/60/342587160.db2.gz JTINQZVUVRHRDN-GFCCVEGCSA-N 1 2 287.429 1.282 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000590630932 342580421 /nfs/dbraw/zinc/58/04/21/342580421.db2.gz NLZSZUISCUWKJE-CJNGLKHVSA-N 1 2 291.395 1.297 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000590630932 342580422 /nfs/dbraw/zinc/58/04/22/342580422.db2.gz NLZSZUISCUWKJE-CJNGLKHVSA-N 1 2 291.395 1.297 20 30 CDEDLO CCc1nnc(NCc2[nH+]ccn2C)c(C#N)c1CC ZINC000124970276 187163932 /nfs/dbraw/zinc/16/39/32/187163932.db2.gz LQBBMIIIZUURBY-UHFFFAOYSA-N 1 2 270.340 1.819 20 30 CDEDLO COCC#CC[N@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000591046286 342615947 /nfs/dbraw/zinc/61/59/47/342615947.db2.gz ZADKBZWQKCYIEL-GFCCVEGCSA-N 1 2 267.369 1.831 20 30 CDEDLO COCC#CC[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000591046286 342615948 /nfs/dbraw/zinc/61/59/48/342615948.db2.gz ZADKBZWQKCYIEL-GFCCVEGCSA-N 1 2 267.369 1.831 20 30 CDEDLO N#CC1(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CCC1 ZINC000591323063 342625951 /nfs/dbraw/zinc/62/59/51/342625951.db2.gz DWZRFJADORTRBF-OAHLLOKOSA-N 1 2 298.390 1.856 20 30 CDEDLO N#CC1(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CCC1 ZINC000591323063 342625952 /nfs/dbraw/zinc/62/59/52/342625952.db2.gz DWZRFJADORTRBF-OAHLLOKOSA-N 1 2 298.390 1.856 20 30 CDEDLO N#Cc1ccc(OCC(=O)NCCNc2cccc[nH+]2)cc1 ZINC000073832190 342149909 /nfs/dbraw/zinc/14/99/09/342149909.db2.gz HKMXHQCEEUMBFB-UHFFFAOYSA-N 1 2 296.330 1.560 20 30 CDEDLO N#CC[C@@]1(O)CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000591972407 342660740 /nfs/dbraw/zinc/66/07/40/342660740.db2.gz CDRWODXXUOSFLZ-OAHLLOKOSA-N 1 2 298.302 1.998 20 30 CDEDLO C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147313 342667768 /nfs/dbraw/zinc/66/77/68/342667768.db2.gz NSXPNVJWJUQWPG-TVQRCGJNSA-N 1 2 262.313 1.358 20 30 CDEDLO C[C@@H](c1nc(C2CC2)no1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147313 342667769 /nfs/dbraw/zinc/66/77/69/342667769.db2.gz NSXPNVJWJUQWPG-TVQRCGJNSA-N 1 2 262.313 1.358 20 30 CDEDLO C[C@H](C(=O)NCc1cccs1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148429 342668436 /nfs/dbraw/zinc/66/84/36/342668436.db2.gz YKUVQPMSBRCGFN-RISCZKNCSA-N 1 2 293.392 1.103 20 30 CDEDLO C[C@H](C(=O)NCc1cccs1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148429 342668437 /nfs/dbraw/zinc/66/84/37/342668437.db2.gz YKUVQPMSBRCGFN-RISCZKNCSA-N 1 2 293.392 1.103 20 30 CDEDLO COC(=O)c1ccccc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151315 342668993 /nfs/dbraw/zinc/66/89/93/342668993.db2.gz LNOPXVLHKOXOCU-HNNXBMFYSA-N 1 2 274.320 1.324 20 30 CDEDLO COC(=O)c1ccccc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151315 342668994 /nfs/dbraw/zinc/66/89/94/342668994.db2.gz LNOPXVLHKOXOCU-HNNXBMFYSA-N 1 2 274.320 1.324 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](CC)CO1 ZINC000593058760 342760476 /nfs/dbraw/zinc/76/04/76/342760476.db2.gz OFZNPCTXGFPKLH-FMKPAKJESA-N 1 2 295.427 1.930 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](CC)CO1 ZINC000593058760 342760477 /nfs/dbraw/zinc/76/04/77/342760477.db2.gz OFZNPCTXGFPKLH-FMKPAKJESA-N 1 2 295.427 1.930 20 30 CDEDLO N#Cc1cc(C[NH+]2CCC(O)(C(F)(F)F)CC2)ccn1 ZINC000312723029 342184456 /nfs/dbraw/zinc/18/44/56/342184456.db2.gz FWNDHLBTMNOANZ-UHFFFAOYSA-N 1 2 285.269 1.842 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000220173973 342200861 /nfs/dbraw/zinc/20/08/61/342200861.db2.gz PBECEORZSGCDJV-GXTWGEPZSA-N 1 2 273.336 1.389 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000220173973 342200862 /nfs/dbraw/zinc/20/08/62/342200862.db2.gz PBECEORZSGCDJV-GXTWGEPZSA-N 1 2 273.336 1.389 20 30 CDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cn2)C[C@H](C2CC2)O1 ZINC000593981309 342864163 /nfs/dbraw/zinc/86/41/63/342864163.db2.gz ZEGUORYQQQCTMO-XHDPSFHLSA-N 1 2 257.337 1.953 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)C[C@H](C2CC2)O1 ZINC000593981309 342864164 /nfs/dbraw/zinc/86/41/64/342864164.db2.gz ZEGUORYQQQCTMO-XHDPSFHLSA-N 1 2 257.337 1.953 20 30 CDEDLO N#C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000332838425 539048995 /nfs/dbraw/zinc/04/89/95/539048995.db2.gz KSCBHLXSPABMGA-CFVMTHIKSA-N 1 2 291.395 1.438 20 30 CDEDLO N#C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000332838425 539048996 /nfs/dbraw/zinc/04/89/96/539048996.db2.gz KSCBHLXSPABMGA-CFVMTHIKSA-N 1 2 291.395 1.438 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CC[C@H](C)O ZINC000083213292 342219023 /nfs/dbraw/zinc/21/90/23/342219023.db2.gz WYZFRGCFBJRFFX-FZMZJTMJSA-N 1 2 276.336 1.475 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@H](C)O ZINC000083213292 342219024 /nfs/dbraw/zinc/21/90/24/342219024.db2.gz WYZFRGCFBJRFFX-FZMZJTMJSA-N 1 2 276.336 1.475 20 30 CDEDLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC000092936567 342234982 /nfs/dbraw/zinc/23/49/82/342234982.db2.gz LPKXWFWBCPLFQX-ZDUSSCGKSA-N 1 2 294.399 1.137 20 30 CDEDLO CC[C@@H]1CO[C@H](C)CN1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329695038 529413973 /nfs/dbraw/zinc/41/39/73/529413973.db2.gz BEJWIIWFBKAHFF-GRYCIOLGSA-N 1 2 292.383 1.680 20 30 CDEDLO CC[C@@H]1CO[C@H](C)CN1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329695038 529413976 /nfs/dbraw/zinc/41/39/76/529413976.db2.gz BEJWIIWFBKAHFF-GRYCIOLGSA-N 1 2 292.383 1.680 20 30 CDEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)s1)c1[nH+]ccn1C ZINC000595383436 343052159 /nfs/dbraw/zinc/05/21/59/343052159.db2.gz NQFXXOSTHYQDRG-QMMMGPOBSA-N 1 2 296.377 1.393 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000076185498 342320000 /nfs/dbraw/zinc/32/00/00/342320000.db2.gz VZICVTJSTNQLQF-OAHLLOKOSA-N 1 2 268.360 1.774 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](Cc2nnnn2Cc2ccccc2)C1 ZINC000595609156 343108184 /nfs/dbraw/zinc/10/81/84/343108184.db2.gz HCUTZPUJLLJMGU-HNNXBMFYSA-N 1 2 296.378 1.847 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nnnn2Cc2ccccc2)C1 ZINC000595609156 343108185 /nfs/dbraw/zinc/10/81/85/343108185.db2.gz HCUTZPUJLLJMGU-HNNXBMFYSA-N 1 2 296.378 1.847 20 30 CDEDLO COCCc1noc(C[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595615011 343109605 /nfs/dbraw/zinc/10/96/05/343109605.db2.gz NVSUIVDSWMNFHE-LLVKDONJSA-N 1 2 264.329 1.384 20 30 CDEDLO COCCc1noc(C[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595615011 343109607 /nfs/dbraw/zinc/10/96/07/343109607.db2.gz NVSUIVDSWMNFHE-LLVKDONJSA-N 1 2 264.329 1.384 20 30 CDEDLO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595616104 343110040 /nfs/dbraw/zinc/11/00/40/343110040.db2.gz PMTFBGZTJNUOIO-WDEREUQCSA-N 1 2 289.387 1.037 20 30 CDEDLO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595616104 343110041 /nfs/dbraw/zinc/11/00/41/343110041.db2.gz PMTFBGZTJNUOIO-WDEREUQCSA-N 1 2 289.387 1.037 20 30 CDEDLO Cc1oc(NC(=O)CN(C)Cc2c[nH+]c[nH]2)c(C#N)c1C ZINC000595597759 343114551 /nfs/dbraw/zinc/11/45/51/343114551.db2.gz UWVOBOJJGSLYLF-UHFFFAOYSA-N 1 2 287.323 1.562 20 30 CDEDLO Cc1oc(NC(=O)CN(C)Cc2c[nH]c[nH+]2)c(C#N)c1C ZINC000595597759 343114553 /nfs/dbraw/zinc/11/45/53/343114553.db2.gz UWVOBOJJGSLYLF-UHFFFAOYSA-N 1 2 287.323 1.562 20 30 CDEDLO C=CCOCCCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000079577793 342346155 /nfs/dbraw/zinc/34/61/55/342346155.db2.gz DCFFBQDMXPZWSH-LBPRGKRZSA-N 1 2 251.330 1.371 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000246006817 342354005 /nfs/dbraw/zinc/35/40/05/342354005.db2.gz JVPUKNRKRJZFOL-GHMZBOCLSA-N 1 2 296.333 1.655 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000246006817 342354006 /nfs/dbraw/zinc/35/40/06/342354006.db2.gz JVPUKNRKRJZFOL-GHMZBOCLSA-N 1 2 296.333 1.655 20 30 CDEDLO C[C@H]1CCN(c2c(C#N)cnn2C)C[C@H]1n1cc[nH+]c1 ZINC000596158137 343254814 /nfs/dbraw/zinc/25/48/14/343254814.db2.gz RGVNVBDJABRAQR-WCQYABFASA-N 1 2 270.340 1.576 20 30 CDEDLO CCc1nc(C#N)cc(N2CCc3[nH+]c[nH]c3C2)n1 ZINC000596237598 343283001 /nfs/dbraw/zinc/28/30/01/343283001.db2.gz VGHKPIOMKIGHGN-UHFFFAOYSA-N 1 2 254.297 1.196 20 30 CDEDLO N#Cc1ccc(NCC2CC[NH+](CC(F)F)CC2)nn1 ZINC000596240280 343284171 /nfs/dbraw/zinc/28/41/71/343284171.db2.gz WAKDOTRAKIWCHJ-UHFFFAOYSA-N 1 2 281.310 1.159 20 30 CDEDLO C[C@H](Nc1nc(C#N)c(Cl)s1)[C@H]1C[N@H+](C)CCO1 ZINC000596168262 343257972 /nfs/dbraw/zinc/25/79/72/343257972.db2.gz SEPRFQURHAYROY-IONNQARKSA-N 1 2 286.788 1.221 20 30 CDEDLO C[C@H](Nc1nc(C#N)c(Cl)s1)[C@H]1C[N@@H+](C)CCO1 ZINC000596168262 343257973 /nfs/dbraw/zinc/25/79/73/343257973.db2.gz SEPRFQURHAYROY-IONNQARKSA-N 1 2 286.788 1.221 20 30 CDEDLO Cc1csc(NCCNc2cc(C)[nH+]cc2C#N)n1 ZINC000596265066 343279818 /nfs/dbraw/zinc/27/98/18/343279818.db2.gz OCHOYVQMDOROKJ-UHFFFAOYSA-N 1 2 273.365 1.394 20 30 CDEDLO C#CC[NH+]1CCN(c2nc(Cl)c(C(=O)OC)s2)CC1 ZINC000089592667 342392460 /nfs/dbraw/zinc/39/24/60/342392460.db2.gz FIFTZSNJMUNINU-UHFFFAOYSA-N 1 2 299.783 1.338 20 30 CDEDLO N#CC[C@H]1CCCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000596330230 343304729 /nfs/dbraw/zinc/30/47/29/343304729.db2.gz RIGISJFPNZFAGZ-MRVPVSSYSA-N 1 2 251.721 1.842 20 30 CDEDLO N#CC[C@H]1CCCN(c2[nH+]cnc(N)c2Cl)C1 ZINC000596330230 343304730 /nfs/dbraw/zinc/30/47/30/343304730.db2.gz RIGISJFPNZFAGZ-MRVPVSSYSA-N 1 2 251.721 1.842 20 30 CDEDLO N#Cc1cc(NCc2ccc[nH+]c2N2CCCC2)ccn1 ZINC000596355684 343309632 /nfs/dbraw/zinc/30/96/32/343309632.db2.gz IDAYHJFZGDDGQS-UHFFFAOYSA-N 1 2 279.347 1.982 20 30 CDEDLO C=CC[C@H]1N(C(=O)[C@H]2C[N@H+](C)CCO2)CCCC1(C)C ZINC000444333549 362182785 /nfs/dbraw/zinc/18/27/85/362182785.db2.gz ZUFNCCOVYKOZRZ-ZIAGYGMSSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CC[C@H]1N(C(=O)[C@H]2C[N@@H+](C)CCO2)CCCC1(C)C ZINC000444333549 362182791 /nfs/dbraw/zinc/18/27/91/362182791.db2.gz ZUFNCCOVYKOZRZ-ZIAGYGMSSA-N 1 2 280.412 1.910 20 30 CDEDLO N#CC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCSCC1 ZINC000597443601 343538670 /nfs/dbraw/zinc/53/86/70/343538670.db2.gz QWKMLYQCSBLXGS-NSHDSACASA-N 1 2 290.392 1.351 20 30 CDEDLO Cc1nn(C)c(C[NH2+]C[C@@H](C)C#N)c1Br ZINC000308839639 343588793 /nfs/dbraw/zinc/58/87/93/343588793.db2.gz JOEBPPZWDYVFGH-ZETCQYMHSA-N 1 2 271.162 1.740 20 30 CDEDLO COc1cc(C[NH2+]Cc2nnnn2C2CC2)ccc1C#N ZINC000619654049 349838145 /nfs/dbraw/zinc/83/81/45/349838145.db2.gz GPVSULOROQQQTJ-UHFFFAOYSA-N 1 2 284.323 1.178 20 30 CDEDLO C=C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C(=O)OC ZINC000619702954 349858988 /nfs/dbraw/zinc/85/89/88/349858988.db2.gz CCXPGLUVANGIKT-WRWGMCAJSA-N 1 2 251.326 1.261 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](C(=O)NCCCC)C1 ZINC000619717029 349867522 /nfs/dbraw/zinc/86/75/22/349867522.db2.gz MSUJGSOYQVCWPO-QWHCGFSZSA-N 1 2 282.384 1.342 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](C(=O)NCCCC)C1 ZINC000619717029 349867527 /nfs/dbraw/zinc/86/75/27/349867527.db2.gz MSUJGSOYQVCWPO-QWHCGFSZSA-N 1 2 282.384 1.342 20 30 CDEDLO N#CC1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CCCCC1 ZINC000598949989 343933581 /nfs/dbraw/zinc/93/35/81/343933581.db2.gz YXUPMCQCBJPBPE-LBPRGKRZSA-N 1 2 272.352 1.788 20 30 CDEDLO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cccc(F)c1C#N ZINC000411908631 362310530 /nfs/dbraw/zinc/31/05/30/362310530.db2.gz ICFQSJHWMUGQBV-RYUDHWBXSA-N 1 2 264.300 1.279 20 30 CDEDLO COC[C@@H]1C[C@H](O)C[N@H+]1Cc1cccc(F)c1C#N ZINC000411908631 362310535 /nfs/dbraw/zinc/31/05/35/362310535.db2.gz ICFQSJHWMUGQBV-RYUDHWBXSA-N 1 2 264.300 1.279 20 30 CDEDLO C[C@@H](CCC#N)CNc1cnn(CC[NH+]2CCOCC2)c1 ZINC000602577874 344473981 /nfs/dbraw/zinc/47/39/81/344473981.db2.gz QMZSSVHJNOGLAH-AWEZNQCLSA-N 1 2 291.399 1.567 20 30 CDEDLO COC(=O)c1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)n1C ZINC000602606062 344490842 /nfs/dbraw/zinc/49/08/42/344490842.db2.gz ALLUYMFNEZMVCL-HNNXBMFYSA-N 1 2 275.352 1.937 20 30 CDEDLO COC(=O)c1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)n1C ZINC000602606062 344490844 /nfs/dbraw/zinc/49/08/44/344490844.db2.gz ALLUYMFNEZMVCL-HNNXBMFYSA-N 1 2 275.352 1.937 20 30 CDEDLO CCOC(=O)c1cc(C[NH2+]CC2(C#N)CCC2)on1 ZINC000602696675 344543439 /nfs/dbraw/zinc/54/34/39/344543439.db2.gz SBRMPPQJNBFUCK-UHFFFAOYSA-N 1 2 263.297 1.635 20 30 CDEDLO COc1cccc(C[NH+]2CCN(CCC#N)CC2)c1F ZINC000602747893 344562167 /nfs/dbraw/zinc/56/21/67/344562167.db2.gz IGFRRVAOPNPQOH-UHFFFAOYSA-N 1 2 277.343 1.866 20 30 CDEDLO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@@H](C)CC#N)c1C ZINC000602869808 344640706 /nfs/dbraw/zinc/64/07/06/344640706.db2.gz PDBWPYTZLPVGRI-GZMMTYOYSA-N 1 2 291.351 1.881 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@H](CCC)C(=O)OCC)nn1 ZINC000603200225 344732922 /nfs/dbraw/zinc/73/29/22/344732922.db2.gz KXBPKPRGYWLRBZ-CYBMUJFWSA-N 1 2 278.356 1.295 20 30 CDEDLO CC(C)(C#N)CCCn1cc(CC[NH+]2CCOCC2)nn1 ZINC000603258461 344754823 /nfs/dbraw/zinc/75/48/23/344754823.db2.gz AIDAHUZOTZGKPE-UHFFFAOYSA-N 1 2 291.399 1.483 20 30 CDEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC000609484397 344914594 /nfs/dbraw/zinc/91/45/94/344914594.db2.gz BJARDJDZCDYDBQ-UONOGXRCSA-N 1 2 294.443 1.455 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)NCCCn1cc[nH+]c1 ZINC000050107686 344982623 /nfs/dbraw/zinc/98/26/23/344982623.db2.gz AYPOLPQJGGLNIM-UHFFFAOYSA-N 1 2 299.334 1.975 20 30 CDEDLO N#Cc1nc(C2CC2)oc1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000609536384 345594774 /nfs/dbraw/zinc/59/47/74/345594774.db2.gz KVRIKLSUTRIJSO-UHFFFAOYSA-N 1 2 298.350 1.469 20 30 CDEDLO N#Cc1ccc(N2CCC[C@H]2C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000609622468 345980778 /nfs/dbraw/zinc/98/07/78/345980778.db2.gz YXELYAVCBCIMPE-AWEZNQCLSA-N 1 2 295.346 1.567 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623302790 346020909 /nfs/dbraw/zinc/02/09/09/346020909.db2.gz PCDZFJLDIQLZDK-WFASDCNBSA-N 1 2 277.368 1.543 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](CC)Cc1ccoc1 ZINC000102407350 346231089 /nfs/dbraw/zinc/23/10/89/346231089.db2.gz LVWPYJOLZUXYPL-UHFFFAOYSA-N 1 2 263.341 1.864 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](CC)Cc1ccoc1 ZINC000102407350 346231092 /nfs/dbraw/zinc/23/10/92/346231092.db2.gz LVWPYJOLZUXYPL-UHFFFAOYSA-N 1 2 263.341 1.864 20 30 CDEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1cn[nH]c1 ZINC000610487630 346292626 /nfs/dbraw/zinc/29/26/26/346292626.db2.gz PZMPZEVTZUTPDC-UHFFFAOYSA-N 1 2 269.308 1.352 20 30 CDEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1cn[nH]c1 ZINC000610487630 346292631 /nfs/dbraw/zinc/29/26/31/346292631.db2.gz PZMPZEVTZUTPDC-UHFFFAOYSA-N 1 2 269.308 1.352 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000610762372 346398491 /nfs/dbraw/zinc/39/84/91/346398491.db2.gz JXENYBJTIAEMFE-CHWSQXEVSA-N 1 2 285.384 1.356 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000610762372 346398494 /nfs/dbraw/zinc/39/84/94/346398494.db2.gz JXENYBJTIAEMFE-CHWSQXEVSA-N 1 2 285.384 1.356 20 30 CDEDLO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCN(CCC#N)CC1 ZINC000611174906 346628063 /nfs/dbraw/zinc/62/80/63/346628063.db2.gz PEBDZNOUIHSEFL-AWEZNQCLSA-N 1 2 292.427 1.355 20 30 CDEDLO C[C@@]1(C#N)CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000612365242 347132583 /nfs/dbraw/zinc/13/25/83/347132583.db2.gz UJISPKOGJNYEDQ-DOMZBBRYSA-N 1 2 272.352 1.598 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000619718335 348188076 /nfs/dbraw/zinc/18/80/76/348188076.db2.gz JRSVTMXRXCRJHD-DGCLKSJQSA-N 1 2 263.341 1.012 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000619718335 348188079 /nfs/dbraw/zinc/18/80/79/348188079.db2.gz JRSVTMXRXCRJHD-DGCLKSJQSA-N 1 2 263.341 1.012 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(C#N)cc1Cl ZINC000414136949 362922316 /nfs/dbraw/zinc/92/23/16/362922316.db2.gz JHPZVEVABADYKQ-GFCCVEGCSA-N 1 2 293.754 1.797 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(C#N)cc1Cl ZINC000414136949 362922322 /nfs/dbraw/zinc/92/23/22/362922322.db2.gz JHPZVEVABADYKQ-GFCCVEGCSA-N 1 2 293.754 1.797 20 30 CDEDLO CO[C@@H]1CCC[C@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000576164172 348487421 /nfs/dbraw/zinc/48/74/21/348487421.db2.gz OBQVQEVYLFNAMV-GUTXKFCHSA-N 1 2 281.400 1.542 20 30 CDEDLO N#C[C@@]1(F)CCN(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000615538489 348573658 /nfs/dbraw/zinc/57/36/58/348573658.db2.gz OUPCAVMTHCZIBK-ZDUSSCGKSA-N 1 2 279.319 1.310 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000063581359 348926718 /nfs/dbraw/zinc/92/67/18/348926718.db2.gz LRELMIDQYNZKCD-ZFWWWQNUSA-N 1 2 274.364 1.751 20 30 CDEDLO C=CCNC(=O)C[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000063581359 348926721 /nfs/dbraw/zinc/92/67/21/348926721.db2.gz LRELMIDQYNZKCD-ZFWWWQNUSA-N 1 2 274.364 1.751 20 30 CDEDLO CCN(CC#N)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000068240890 349057412 /nfs/dbraw/zinc/05/74/12/349057412.db2.gz NYVFPSIRENRCRA-UHFFFAOYSA-N 1 2 299.290 1.766 20 30 CDEDLO Cc1cccc2[nH+]c(CNC(=O)N(C)C[C@@H](C)C#N)cn21 ZINC000069480236 349102418 /nfs/dbraw/zinc/10/24/18/349102418.db2.gz ZNGOIWPUDNOBMG-NSHDSACASA-N 1 2 285.351 1.944 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1cnn(CC)c1 ZINC000072989182 349145061 /nfs/dbraw/zinc/14/50/61/349145061.db2.gz MECJMDKHQFGGDK-CQSZACIVSA-N 1 2 290.411 1.924 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1cnn(CC)c1 ZINC000072989182 349145064 /nfs/dbraw/zinc/14/50/64/349145064.db2.gz MECJMDKHQFGGDK-CQSZACIVSA-N 1 2 290.411 1.924 20 30 CDEDLO C[C@@H](c1ccc(C#N)cc1)n1cc(C[N@H+](C)CCO)nn1 ZINC000603228610 350230255 /nfs/dbraw/zinc/23/02/55/350230255.db2.gz RTRUTZFNTBUGRR-LBPRGKRZSA-N 1 2 285.351 1.183 20 30 CDEDLO C[C@@H](c1ccc(C#N)cc1)n1cc(C[N@@H+](C)CCO)nn1 ZINC000603228610 350230258 /nfs/dbraw/zinc/23/02/58/350230258.db2.gz RTRUTZFNTBUGRR-LBPRGKRZSA-N 1 2 285.351 1.183 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H]1CN(c2ccccc2)CCO1 ZINC000491452582 366061894 /nfs/dbraw/zinc/06/18/94/366061894.db2.gz LXRQEGZSBIISGS-WBVHZDCISA-N 1 2 286.375 1.226 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H]1CN(c2ccccc2)CCO1 ZINC000491452582 366061900 /nfs/dbraw/zinc/06/19/00/366061900.db2.gz LXRQEGZSBIISGS-WBVHZDCISA-N 1 2 286.375 1.226 20 30 CDEDLO CC1(O)CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000122060917 187012764 /nfs/dbraw/zinc/01/27/64/187012764.db2.gz PWHXQJMOPHUYQG-UHFFFAOYSA-N 1 2 279.365 1.405 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000573930982 334978447 /nfs/dbraw/zinc/97/84/47/334978447.db2.gz HFMHKZGRPKJZCA-LLVKDONJSA-N 1 2 290.323 1.839 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(O)CC1 ZINC000047865979 363203392 /nfs/dbraw/zinc/20/33/92/363203392.db2.gz PXHYWBJNTJFRRY-UHFFFAOYSA-N 1 2 265.338 1.015 20 30 CDEDLO CN(C(=O)C[N@@H+]1CC[C@H](F)C1)C1(C#N)CCCCC1 ZINC000336259996 363235696 /nfs/dbraw/zinc/23/56/96/363235696.db2.gz ZKFJOLSEKSUDLM-LBPRGKRZSA-N 1 2 267.348 1.715 20 30 CDEDLO CN(C(=O)C[N@H+]1CC[C@H](F)C1)C1(C#N)CCCCC1 ZINC000336259996 363235699 /nfs/dbraw/zinc/23/56/99/363235699.db2.gz ZKFJOLSEKSUDLM-LBPRGKRZSA-N 1 2 267.348 1.715 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNC(=O)[C@](C)(C#N)CC)CCO1 ZINC000355563760 366116961 /nfs/dbraw/zinc/11/69/61/366116961.db2.gz HASARZBOLMTKAH-OCCSQVGLSA-N 1 2 267.373 1.153 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)[C@](C)(C#N)CC)CCO1 ZINC000355563760 366116963 /nfs/dbraw/zinc/11/69/63/366116963.db2.gz HASARZBOLMTKAH-OCCSQVGLSA-N 1 2 267.373 1.153 20 30 CDEDLO Cc1cc(NC(=O)C=Cc2c[nH]c[nH+]2)n(CCC#N)n1 ZINC000492856256 366183861 /nfs/dbraw/zinc/18/38/61/366183861.db2.gz BJNRHYVRGZGGQQ-ARJAWSKDSA-N 1 2 270.296 1.480 20 30 CDEDLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cccc(C#N)c1F ZINC000342637356 356096883 /nfs/dbraw/zinc/09/68/83/356096883.db2.gz SIWALSRJFOOKQX-YPMLDQLKSA-N 1 2 268.357 1.896 20 30 CDEDLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000342637356 356096887 /nfs/dbraw/zinc/09/68/87/356096887.db2.gz SIWALSRJFOOKQX-YPMLDQLKSA-N 1 2 268.357 1.896 20 30 CDEDLO CNC(=O)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000273541979 192194729 /nfs/dbraw/zinc/19/47/29/192194729.db2.gz XEWQSNXSYFCGMT-LBPRGKRZSA-N 1 2 272.352 1.576 20 30 CDEDLO N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000328865134 202087015 /nfs/dbraw/zinc/08/70/15/202087015.db2.gz NECWBDQLXWYMQN-CQSZACIVSA-N 1 2 292.342 1.906 20 30 CDEDLO C[C@H]1CC[N@H+](CCOc2ccccc2C#N)CC[S@]1=O ZINC000277223766 366357972 /nfs/dbraw/zinc/35/79/72/366357972.db2.gz ODVLIFXTJSANRK-RNODOKPDSA-N 1 2 292.404 1.780 20 30 CDEDLO C[C@H]1CC[N@@H+](CCOc2ccccc2C#N)CC[S@]1=O ZINC000277223766 366357982 /nfs/dbraw/zinc/35/79/82/366357982.db2.gz ODVLIFXTJSANRK-RNODOKPDSA-N 1 2 292.404 1.780 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000530779352 356762481 /nfs/dbraw/zinc/76/24/81/356762481.db2.gz GRPYXQMPRZNNEB-LBPRGKRZSA-N 1 2 273.336 1.196 20 30 CDEDLO COCc1noc(CO[NH+]=C(N)c2cccc(OC)c2)n1 ZINC000179688891 357220493 /nfs/dbraw/zinc/22/04/93/357220493.db2.gz LRMKXWZNBZQFFK-UHFFFAOYSA-N 1 2 292.295 1.062 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3cc(C)nc(C#N)c3)CC2)on1 ZINC000341476474 357551073 /nfs/dbraw/zinc/55/10/73/357551073.db2.gz UTXTZJLPIQREEI-UHFFFAOYSA-N 1 2 297.362 1.880 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)cn1 ZINC000337670921 358104864 /nfs/dbraw/zinc/10/48/64/358104864.db2.gz VYDKPJAEJUBMEJ-OAHLLOKOSA-N 1 2 293.330 1.135 20 30 CDEDLO CC[C@@H](C(N)=O)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000080908527 358108077 /nfs/dbraw/zinc/10/80/77/358108077.db2.gz HPRVSSIJAGCGAN-LSDHHAIUSA-N 1 2 286.379 1.133 20 30 CDEDLO C=CC[N@@H+](Cc1ccncc1C)[C@H]1CCS(=O)(=O)C1 ZINC000294733016 199156701 /nfs/dbraw/zinc/15/67/01/199156701.db2.gz GXAMVRFJSGDEPX-AWEZNQCLSA-N 1 2 280.393 1.565 20 30 CDEDLO C=CC[N@H+](Cc1ccncc1C)[C@H]1CCS(=O)(=O)C1 ZINC000294733016 199156703 /nfs/dbraw/zinc/15/67/03/199156703.db2.gz GXAMVRFJSGDEPX-AWEZNQCLSA-N 1 2 280.393 1.565 20 30 CDEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)c(O)c2)C[C@H](C)[N@H+]1C ZINC000408168197 358239795 /nfs/dbraw/zinc/23/97/95/358239795.db2.gz HQXPOWXKKILVHS-PHIMTYICSA-N 1 2 273.336 1.428 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000294784132 199181385 /nfs/dbraw/zinc/18/13/85/199181385.db2.gz AZRVJFIGSBHEII-NSHDSACASA-N 1 2 281.425 1.834 20 30 CDEDLO C=C(Br)C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000185111703 358773068 /nfs/dbraw/zinc/77/30/68/358773068.db2.gz ZFQNBRZGPNLYHX-PELKAZGASA-N 1 2 254.193 1.594 20 30 CDEDLO C=C(Br)C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000185111703 358773071 /nfs/dbraw/zinc/77/30/71/358773071.db2.gz ZFQNBRZGPNLYHX-PELKAZGASA-N 1 2 254.193 1.594 20 30 CDEDLO C[C@@H]1CC[N@H+](CCC(=O)N(C)CCC#N)CC1(F)F ZINC000494231855 366502730 /nfs/dbraw/zinc/50/27/30/366502730.db2.gz WAVZVZRWOAINTF-LLVKDONJSA-N 1 2 273.327 1.726 20 30 CDEDLO C[C@@H]1CC[N@@H+](CCC(=O)N(C)CCC#N)CC1(F)F ZINC000494231855 366502736 /nfs/dbraw/zinc/50/27/36/366502736.db2.gz WAVZVZRWOAINTF-LLVKDONJSA-N 1 2 273.327 1.726 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000335199553 359036767 /nfs/dbraw/zinc/03/67/67/359036767.db2.gz CXYIOQVQOCVLTQ-KGLIPLIRSA-N 1 2 265.401 1.189 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N1CCn2cc[nH+]c2C1 ZINC000338120640 358980342 /nfs/dbraw/zinc/98/03/42/358980342.db2.gz IPCBHGQPIJLEFP-UHFFFAOYSA-N 1 2 266.304 1.719 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000266890135 359346617 /nfs/dbraw/zinc/34/66/17/359346617.db2.gz CMJSZALRPYHVPU-UHFFFAOYSA-N 1 2 273.336 1.539 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000266890135 359346622 /nfs/dbraw/zinc/34/66/22/359346622.db2.gz CMJSZALRPYHVPU-UHFFFAOYSA-N 1 2 273.336 1.539 20 30 CDEDLO C=CCNC(=O)CNc1cc(NCC2CC2)[nH+]cn1 ZINC000272021468 359444398 /nfs/dbraw/zinc/44/43/98/359444398.db2.gz PNFOPJDIPAHYHA-UHFFFAOYSA-N 1 2 261.329 1.013 20 30 CDEDLO C=CCNC(=O)CNc1cc(NCC2CC2)nc[nH+]1 ZINC000272021468 359444404 /nfs/dbraw/zinc/44/44/04/359444404.db2.gz PNFOPJDIPAHYHA-UHFFFAOYSA-N 1 2 261.329 1.013 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](O)[C@@H](N(C)C)C1 ZINC000571484041 359583595 /nfs/dbraw/zinc/58/35/95/359583595.db2.gz ANOJEEJZHYHWKX-UGFHNGPFSA-N 1 2 259.353 1.226 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H](O)[C@@H](N(C)C)C1 ZINC000571484041 359583596 /nfs/dbraw/zinc/58/35/96/359583596.db2.gz ANOJEEJZHYHWKX-UGFHNGPFSA-N 1 2 259.353 1.226 20 30 CDEDLO C#CC[N@@H+](CCS(=O)(=O)Cc1ccccc1)C1CC1 ZINC000279707294 359594460 /nfs/dbraw/zinc/59/44/60/359594460.db2.gz KMLGCKIIFQNJRM-UHFFFAOYSA-N 1 2 277.389 1.699 20 30 CDEDLO C#CC[N@H+](CCS(=O)(=O)Cc1ccccc1)C1CC1 ZINC000279707294 359594465 /nfs/dbraw/zinc/59/44/65/359594465.db2.gz KMLGCKIIFQNJRM-UHFFFAOYSA-N 1 2 277.389 1.699 20 30 CDEDLO N#Cc1cnn2cc(C[N@@H+]3CCOCC34CCC4)cnc12 ZINC000572001495 359731699 /nfs/dbraw/zinc/73/16/99/359731699.db2.gz VGVPRAAECBUOMY-UHFFFAOYSA-N 1 2 283.335 1.356 20 30 CDEDLO N#Cc1cnn2cc(C[N@H+]3CCOCC34CCC4)cnc12 ZINC000572001495 359731700 /nfs/dbraw/zinc/73/17/00/359731700.db2.gz VGVPRAAECBUOMY-UHFFFAOYSA-N 1 2 283.335 1.356 20 30 CDEDLO CC[N@@H+](Cc1ccc(C(=O)N(C)C)[nH]1)C[C@@H](C)C#N ZINC000091982721 360259083 /nfs/dbraw/zinc/25/90/83/360259083.db2.gz ORXJZMOAMCQVNI-NSHDSACASA-N 1 2 262.357 1.698 20 30 CDEDLO CC[N@H+](Cc1ccc(C(=O)N(C)C)[nH]1)C[C@@H](C)C#N ZINC000091982721 360259086 /nfs/dbraw/zinc/25/90/86/360259086.db2.gz ORXJZMOAMCQVNI-NSHDSACASA-N 1 2 262.357 1.698 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cc(C#N)cs1 ZINC000177462920 189052527 /nfs/dbraw/zinc/05/25/27/189052527.db2.gz OIJVDLOZRZVKRR-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1cc(C#N)cs1 ZINC000177462920 189052528 /nfs/dbraw/zinc/05/25/28/189052528.db2.gz OIJVDLOZRZVKRR-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1c[nH+]ccc1OC ZINC000514852257 360385821 /nfs/dbraw/zinc/38/58/21/360385821.db2.gz VNODHSAWEAECPE-TZMCWYRMSA-N 1 2 276.336 1.688 20 30 CDEDLO Cc1cccc(C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)n1 ZINC000348577805 360423367 /nfs/dbraw/zinc/42/33/67/360423367.db2.gz MZNCPNLMJIGJLZ-INIZCTEOSA-N 1 2 288.395 1.876 20 30 CDEDLO Cc1cccc(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)n1 ZINC000348577805 360423372 /nfs/dbraw/zinc/42/33/72/360423372.db2.gz MZNCPNLMJIGJLZ-INIZCTEOSA-N 1 2 288.395 1.876 20 30 CDEDLO CC(C)[N@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000147734026 360840704 /nfs/dbraw/zinc/84/07/04/360840704.db2.gz ZMTQSOCDBGOUTD-UHFFFAOYSA-N 1 2 296.392 1.035 20 30 CDEDLO CC(C)[N@@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000147734026 360840710 /nfs/dbraw/zinc/84/07/10/360840710.db2.gz ZMTQSOCDBGOUTD-UHFFFAOYSA-N 1 2 296.392 1.035 20 30 CDEDLO CCC(CC)[C@@H](C(=O)N(C)C[C@H](C)C#N)[NH+]1CCOCC1 ZINC000359267703 360830716 /nfs/dbraw/zinc/83/07/16/360830716.db2.gz XDXQHAPAETXGGI-HIFRSBDPSA-N 1 2 295.427 1.741 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCOC2(CCCC2)C1 ZINC000157996956 361044341 /nfs/dbraw/zinc/04/43/41/361044341.db2.gz JHGPMGUOXIZOGL-GFCCVEGCSA-N 1 2 295.383 1.032 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCOC2(CCCC2)C1 ZINC000157996956 361044347 /nfs/dbraw/zinc/04/43/47/361044347.db2.gz JHGPMGUOXIZOGL-GFCCVEGCSA-N 1 2 295.383 1.032 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@@H](C)O1 ZINC000247740891 361175567 /nfs/dbraw/zinc/17/55/67/361175567.db2.gz WXVVAESDRLURNF-NFAWXSAZSA-N 1 2 281.400 1.540 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@@H](C)O1 ZINC000247740891 361175572 /nfs/dbraw/zinc/17/55/72/361175572.db2.gz WXVVAESDRLURNF-NFAWXSAZSA-N 1 2 281.400 1.540 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)s1 ZINC000582495740 364092151 /nfs/dbraw/zinc/09/21/51/364092151.db2.gz RTJUOHBPEQKZRA-VIFPVBQESA-N 1 2 289.364 1.823 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)s1 ZINC000582495740 364092156 /nfs/dbraw/zinc/09/21/56/364092156.db2.gz RTJUOHBPEQKZRA-VIFPVBQESA-N 1 2 289.364 1.823 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2CCC#N)O1 ZINC000374572803 370728836 /nfs/dbraw/zinc/72/88/36/370728836.db2.gz RBTNZJAJUQKSEL-WYUUTHIRSA-N 1 2 252.314 1.083 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2CCC#N)O1 ZINC000374572803 370728840 /nfs/dbraw/zinc/72/88/40/370728840.db2.gz RBTNZJAJUQKSEL-WYUUTHIRSA-N 1 2 252.314 1.083 20 30 CDEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CCC#N)CCCO1 ZINC000497088238 366866370 /nfs/dbraw/zinc/86/63/70/366866370.db2.gz HPQUCZHLAITREB-LBPRGKRZSA-N 1 2 283.372 1.516 20 30 CDEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](CCC#N)CCCO1 ZINC000497088238 366866376 /nfs/dbraw/zinc/86/63/76/366866376.db2.gz HPQUCZHLAITREB-LBPRGKRZSA-N 1 2 283.372 1.516 20 30 CDEDLO C=CCN(CCOC)c1nc(N)c2ccccc2[nH+]1 ZINC000302710732 364545221 /nfs/dbraw/zinc/54/52/21/364545221.db2.gz KPKBJPCWLMZTES-UHFFFAOYSA-N 1 2 258.325 1.851 20 30 CDEDLO CCOCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367081206 364775427 /nfs/dbraw/zinc/77/54/27/364775427.db2.gz STIWKJDTZOOKJP-HNNXBMFYSA-N 1 2 260.337 1.968 20 30 CDEDLO CCOCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367081206 364775431 /nfs/dbraw/zinc/77/54/31/364775431.db2.gz STIWKJDTZOOKJP-HNNXBMFYSA-N 1 2 260.337 1.968 20 30 CDEDLO C[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000340950996 364938313 /nfs/dbraw/zinc/93/83/13/364938313.db2.gz IAHIIAJPJIRAKQ-PSASIEDQSA-N 1 2 265.338 1.013 20 30 CDEDLO C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1sccc1C#N ZINC000340950996 364938316 /nfs/dbraw/zinc/93/83/16/364938316.db2.gz IAHIIAJPJIRAKQ-PSASIEDQSA-N 1 2 265.338 1.013 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1oc(C)c(C)c1C#N ZINC000566745624 370805855 /nfs/dbraw/zinc/80/58/55/370805855.db2.gz DWTGLOSQHAJREA-LLVKDONJSA-N 1 2 274.324 1.989 20 30 CDEDLO CC(C)[C@@H](C(=O)N[C@H](C)C#N)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000249745126 365317713 /nfs/dbraw/zinc/31/77/13/365317713.db2.gz MRJRWVRVDAYNQC-LPWJVIDDSA-N 1 2 267.373 1.148 20 30 CDEDLO C=CC[N@@H+](C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000637962436 367283872 /nfs/dbraw/zinc/28/38/72/367283872.db2.gz MOOFHLDKZSUMNT-MCIONIFRSA-N 1 2 289.441 1.723 20 30 CDEDLO C=CC[N@H+](C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000637962436 367283880 /nfs/dbraw/zinc/28/38/80/367283880.db2.gz MOOFHLDKZSUMNT-MCIONIFRSA-N 1 2 289.441 1.723 20 30 CDEDLO CN1CC[C@H](O[NH+]=C(N)c2cccc(Cl)c2)C1=O ZINC000075140138 367897356 /nfs/dbraw/zinc/89/73/56/367897356.db2.gz JAEQGUCVARKRKH-JTQLQIEISA-N 1 2 267.716 1.208 20 30 CDEDLO CC#CCCNC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000361522866 368871634 /nfs/dbraw/zinc/87/16/34/368871634.db2.gz CATOBMRAPBXIPF-ZDUSSCGKSA-N 1 2 274.368 1.782 20 30 CDEDLO CC#CCCNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000361648334 368961962 /nfs/dbraw/zinc/96/19/62/368961962.db2.gz QEUYHRBEXUFZJF-GFCCVEGCSA-N 1 2 260.341 1.332 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCc2cc(C)ccc2C1 ZINC000361841254 369066685 /nfs/dbraw/zinc/06/66/85/369066685.db2.gz CDRJRKQGCUFPNL-UHFFFAOYSA-N 1 2 287.363 1.365 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCc2cc(C)ccc2C1 ZINC000361841254 369066687 /nfs/dbraw/zinc/06/66/87/369066687.db2.gz CDRJRKQGCUFPNL-UHFFFAOYSA-N 1 2 287.363 1.365 20 30 CDEDLO N#Cc1cccnc1N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000160413456 369143304 /nfs/dbraw/zinc/14/33/04/369143304.db2.gz PETZSFQMGJQKQD-AWEZNQCLSA-N 1 2 272.352 1.254 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000330693351 203123154 /nfs/dbraw/zinc/12/31/54/203123154.db2.gz HQAWKRMCHQQIIT-OLZOCXBDSA-N 1 2 287.363 1.284 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000330693351 203123156 /nfs/dbraw/zinc/12/31/56/203123156.db2.gz HQAWKRMCHQQIIT-OLZOCXBDSA-N 1 2 287.363 1.284 20 30 CDEDLO N#Cc1cncc(NCc2cc[nH+]c(N3CCCC3)c2)n1 ZINC000420587644 244269293 /nfs/dbraw/zinc/26/92/93/244269293.db2.gz QESUEXBBACEJJG-UHFFFAOYSA-N 1 2 280.335 1.956 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000181277690 372569360 /nfs/dbraw/zinc/56/93/60/372569360.db2.gz CDAWNFHEFXYASL-SNVBAGLBSA-N 1 2 282.306 1.266 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000181277690 372569364 /nfs/dbraw/zinc/56/93/64/372569364.db2.gz CDAWNFHEFXYASL-SNVBAGLBSA-N 1 2 282.306 1.266 20 30 CDEDLO Cn1nccc1C[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000348365327 373118810 /nfs/dbraw/zinc/11/88/10/373118810.db2.gz GYFCMSSTFLSZBH-UHFFFAOYSA-N 1 2 297.362 1.040 20 30 CDEDLO Cn1nccc1C[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000348365327 373118815 /nfs/dbraw/zinc/11/88/15/373118815.db2.gz GYFCMSSTFLSZBH-UHFFFAOYSA-N 1 2 297.362 1.040 20 30 CDEDLO N#Cc1ccc(NCc2ccc[nH+]c2N2CCOCC2)nn1 ZINC000301842905 373923679 /nfs/dbraw/zinc/92/36/79/373923679.db2.gz QVNITKPZRGOGNG-UHFFFAOYSA-N 1 2 296.334 1.192 20 30 CDEDLO Cc1nn(C)c(N2CCN(c3cc(C)[nH+]cn3)CC2)c1C#N ZINC000350703294 374059153 /nfs/dbraw/zinc/05/91/53/374059153.db2.gz TYNAHBIUIVASJZ-UHFFFAOYSA-N 1 2 297.366 1.025 20 30 CDEDLO Cn1cc[nH+]c1CSc1nc(N)c(C#N)cc1C#N ZINC000064652995 374231626 /nfs/dbraw/zinc/23/16/26/374231626.db2.gz RMRZQJSGQIHCSR-UHFFFAOYSA-N 1 2 270.321 1.433 20 30 CDEDLO C=CCCN(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000342435099 374200748 /nfs/dbraw/zinc/20/07/48/374200748.db2.gz ITVCINFCUIIWIF-UHFFFAOYSA-N 1 2 269.389 1.315 20 30 CDEDLO C=CCCN(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000342435099 374200755 /nfs/dbraw/zinc/20/07/55/374200755.db2.gz ITVCINFCUIIWIF-UHFFFAOYSA-N 1 2 269.389 1.315 20 30 CDEDLO C=CCOCCN1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000640110182 374204318 /nfs/dbraw/zinc/20/43/18/374204318.db2.gz CKNZSIPSKPIQJJ-UHFFFAOYSA-N 1 2 276.380 1.712 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)nc1 ZINC000518595759 374212856 /nfs/dbraw/zinc/21/28/56/374212856.db2.gz KULTWDOBNVKBCH-LBPRGKRZSA-N 1 2 281.319 1.696 20 30 CDEDLO C[C@H]1C[N@H+](CCNc2c(F)cc(C#N)cc2F)CCO1 ZINC000522275335 374254339 /nfs/dbraw/zinc/25/43/39/374254339.db2.gz QIGWSXVVKYQMDT-JTQLQIEISA-N 1 2 281.306 1.969 20 30 CDEDLO C[C@H]1C[N@@H+](CCNc2c(F)cc(C#N)cc2F)CCO1 ZINC000522275335 374254348 /nfs/dbraw/zinc/25/43/48/374254348.db2.gz QIGWSXVVKYQMDT-JTQLQIEISA-N 1 2 281.306 1.969 20 30 CDEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(F)cn3)CC2)c1 ZINC000276381678 374733278 /nfs/dbraw/zinc/73/32/78/374733278.db2.gz QMEBZTPRYKFDNM-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO Cc1ccc(C#N)c(NCC2([NH+]3CCOCC3)CC2)n1 ZINC000277554048 374794144 /nfs/dbraw/zinc/79/41/44/374794144.db2.gz XVRWVZJBBKFIRS-UHFFFAOYSA-N 1 2 272.352 1.538 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CC[S@](=O)C1 ZINC000277438935 374787779 /nfs/dbraw/zinc/78/77/79/374787779.db2.gz JZVBMWQJIPPICM-QGHHPUGFSA-N 1 2 268.407 1.820 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[S@](=O)C1 ZINC000277438935 374787783 /nfs/dbraw/zinc/78/77/83/374787783.db2.gz JZVBMWQJIPPICM-QGHHPUGFSA-N 1 2 268.407 1.820 20 30 CDEDLO CC1(C)SC[C@@H]1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000328732859 375955997 /nfs/dbraw/zinc/95/59/97/375955997.db2.gz HJVBIQIUMDTELV-NSHDSACASA-N 1 2 299.440 1.249 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)[C@H]1CCCC(=O)N1)[NH+]1CCOCC1 ZINC000328765085 375949125 /nfs/dbraw/zinc/94/91/25/375949125.db2.gz AJDWQUHUYOJVER-QJPTWQEYSA-N 1 2 283.372 1.561 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065425437 376131762 /nfs/dbraw/zinc/13/17/62/376131762.db2.gz NWIQKBYOXLWJTR-CYBMUJFWSA-N 1 2 268.401 1.910 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065425437 376131773 /nfs/dbraw/zinc/13/17/73/376131773.db2.gz NWIQKBYOXLWJTR-CYBMUJFWSA-N 1 2 268.401 1.910 20 30 CDEDLO CCC[N@@H+]1CCC[C@H]1C(=O)N=c1cc(C)n(CCC#N)[nH]1 ZINC000330593912 376287160 /nfs/dbraw/zinc/28/71/60/376287160.db2.gz SQAMNLLHIUIDAG-ZDUSSCGKSA-N 1 2 289.383 1.340 20 30 CDEDLO CCC[N@H+]1CCC[C@H]1C(=O)N=c1cc(C)n(CCC#N)[nH]1 ZINC000330593912 376287161 /nfs/dbraw/zinc/28/71/61/376287161.db2.gz SQAMNLLHIUIDAG-ZDUSSCGKSA-N 1 2 289.383 1.340 20 30 CDEDLO C#CC[NH+](CC#C)CCc1nc(-c2ccccc2)no1 ZINC000076185981 377465571 /nfs/dbraw/zinc/46/55/71/377465571.db2.gz PRYWJZFJQGFXDR-UHFFFAOYSA-N 1 2 265.316 1.848 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2CCNC(=O)[C@H]2CC)c1 ZINC000131219011 377655615 /nfs/dbraw/zinc/65/56/15/377655615.db2.gz CWNXRMXZPBLENL-OAHLLOKOSA-N 1 2 274.364 1.962 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2CCNC(=O)[C@H]2CC)c1 ZINC000131219011 377655619 /nfs/dbraw/zinc/65/56/19/377655619.db2.gz CWNXRMXZPBLENL-OAHLLOKOSA-N 1 2 274.364 1.962 20 30 CDEDLO N#CCNC(=O)C[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000572064305 377679265 /nfs/dbraw/zinc/67/92/65/377679265.db2.gz MCOBBDSCUWUQSP-UHFFFAOYSA-N 1 2 293.317 1.784 20 30 CDEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C#N)CC1 ZINC000057878778 377858863 /nfs/dbraw/zinc/85/88/63/377858863.db2.gz ROBVVLBHYCTCOP-NSHDSACASA-N 1 2 280.372 1.092 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181561001 377987459 /nfs/dbraw/zinc/98/74/59/377987459.db2.gz UHLOLPYVZBSFMZ-GDBMZVCRSA-N 1 2 288.391 1.621 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181561001 377987465 /nfs/dbraw/zinc/98/74/65/377987465.db2.gz UHLOLPYVZBSFMZ-GDBMZVCRSA-N 1 2 288.391 1.621 20 30 CDEDLO C#CCC(CC#C)C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000288009339 378300031 /nfs/dbraw/zinc/30/00/31/378300031.db2.gz HDLZBRWHUYDXKY-ZDUSSCGKSA-N 1 2 257.337 1.886 20 30 CDEDLO C#CCC[NH+]1CCN(Cc2n[nH]c(C(C)(C)C)n2)CC1 ZINC000292934754 378526673 /nfs/dbraw/zinc/52/66/73/378526673.db2.gz MYFBOBZVFQKJIM-UHFFFAOYSA-N 1 2 275.400 1.243 20 30 CDEDLO C#CCNC(=O)CC[N@H+]1CCOC[C@@H]1c1ccc(CC)o1 ZINC000292947006 378528997 /nfs/dbraw/zinc/52/89/97/378528997.db2.gz BTXBQILAKVNRKC-CQSZACIVSA-N 1 2 290.363 1.355 20 30 CDEDLO C#CCNC(=O)CC[N@@H+]1CCOC[C@@H]1c1ccc(CC)o1 ZINC000292947006 378529001 /nfs/dbraw/zinc/52/90/01/378529001.db2.gz BTXBQILAKVNRKC-CQSZACIVSA-N 1 2 290.363 1.355 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NC(=O)Nc1ccccc1 ZINC000293069342 378535464 /nfs/dbraw/zinc/53/54/64/378535464.db2.gz IXJWIMLBJIKUGX-UHFFFAOYSA-N 1 2 259.309 1.290 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NC(=O)Nc1ccccc1 ZINC000293069342 378535468 /nfs/dbraw/zinc/53/54/68/378535468.db2.gz IXJWIMLBJIKUGX-UHFFFAOYSA-N 1 2 259.309 1.290 20 30 CDEDLO C#C[C@H](C)NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000185989390 378835939 /nfs/dbraw/zinc/83/59/39/378835939.db2.gz PPWNYJGTDKAWRP-NSHDSACASA-N 1 2 256.309 1.198 20 30 CDEDLO C=CC[C@H](CO)C[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000343683645 378947735 /nfs/dbraw/zinc/94/77/35/378947735.db2.gz XTVHCCJZCISWHJ-JSGCOSHPSA-N 1 2 272.352 1.668 20 30 CDEDLO Cc1cccc2[nH+]c(CNC(=O)NCCCC#N)cn21 ZINC000343770766 378967024 /nfs/dbraw/zinc/96/70/24/378967024.db2.gz RGERCOHJZDAGRU-UHFFFAOYSA-N 1 2 271.324 1.746 20 30 CDEDLO C=CC[C@H](CC)NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000343775041 378971194 /nfs/dbraw/zinc/97/11/94/378971194.db2.gz UDBGMHIAVLZGQV-GJZGRUSLSA-N 1 2 280.412 1.958 20 30 CDEDLO C=CC[C@H](CC)NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000343775041 378971202 /nfs/dbraw/zinc/97/12/02/378971202.db2.gz UDBGMHIAVLZGQV-GJZGRUSLSA-N 1 2 280.412 1.958 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccnn2CC)C1=O ZINC000281388567 195221129 /nfs/dbraw/zinc/22/11/29/195221129.db2.gz WSMHFGBVDVWYIT-ZDUSSCGKSA-N 1 2 262.357 1.122 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccnn2CC)C1=O ZINC000281388567 195221131 /nfs/dbraw/zinc/22/11/31/195221131.db2.gz WSMHFGBVDVWYIT-ZDUSSCGKSA-N 1 2 262.357 1.122 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc2nccnc2c1 ZINC000574880687 335055071 /nfs/dbraw/zinc/05/50/71/335055071.db2.gz QAFURYIXWMAOPF-HNNXBMFYSA-N 1 2 283.335 1.203 20 30 CDEDLO N#CCC[N@H+](CC1CC1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000363481446 390482479 /nfs/dbraw/zinc/48/24/79/390482479.db2.gz SAEXJSIDCNKCTM-OAHLLOKOSA-N 1 2 291.395 1.392 20 30 CDEDLO N#CCC[N@@H+](CC1CC1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000363481446 390482483 /nfs/dbraw/zinc/48/24/83/390482483.db2.gz SAEXJSIDCNKCTM-OAHLLOKOSA-N 1 2 291.395 1.392 20 30 CDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](F)C2)cc1 ZINC000451183300 390603410 /nfs/dbraw/zinc/60/34/10/390603410.db2.gz IRURFCAFFBXVET-ZDUSSCGKSA-N 1 2 261.300 1.218 20 30 CDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](F)C2)cc1 ZINC000451183300 390603414 /nfs/dbraw/zinc/60/34/14/390603414.db2.gz IRURFCAFFBXVET-ZDUSSCGKSA-N 1 2 261.300 1.218 20 30 CDEDLO C=CCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000119258981 390844843 /nfs/dbraw/zinc/84/48/43/390844843.db2.gz XSGDHROSTBNNHT-UHFFFAOYSA-N 1 2 282.347 1.832 20 30 CDEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)CCO)cc1Cl ZINC000136071136 390941015 /nfs/dbraw/zinc/94/10/15/390941015.db2.gz MOUZPAMAUVMNDW-UHFFFAOYSA-N 1 2 285.731 1.258 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCc1c[nH+]cn1C ZINC000358208385 390947920 /nfs/dbraw/zinc/94/79/20/390947920.db2.gz GDYNNRWOINDWBQ-CYBMUJFWSA-N 1 2 251.330 1.265 20 30 CDEDLO O=C(NC[C@@H]1CCCCS1)N1CCn2c[nH+]cc2C1 ZINC000329611088 391031213 /nfs/dbraw/zinc/03/12/13/391031213.db2.gz DDURGFCSWCSUSW-LBPRGKRZSA-N 1 2 280.397 1.898 20 30 CDEDLO [O-]C(=[NH+]C[C@@H]1CCCCS1)N1CCn2c[nH+]cc2C1 ZINC000329611088 391031216 /nfs/dbraw/zinc/03/12/16/391031216.db2.gz DDURGFCSWCSUSW-LBPRGKRZSA-N 1 2 280.397 1.898 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@]12CCOC2 ZINC000329555507 391013937 /nfs/dbraw/zinc/01/39/37/391013937.db2.gz BMEQPKHTVQVYRS-DYEKYZERSA-N 1 2 268.357 1.090 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@]12CCOC2 ZINC000329555507 391013940 /nfs/dbraw/zinc/01/39/40/391013940.db2.gz BMEQPKHTVQVYRS-DYEKYZERSA-N 1 2 268.357 1.090 20 30 CDEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2cccc(-c3c[nH]nn3)c2)C1 ZINC000329557118 391014146 /nfs/dbraw/zinc/01/41/46/391014146.db2.gz FBBCSJXSTJZOLR-ZDUSSCGKSA-N 1 2 287.323 1.390 20 30 CDEDLO C[N@H+]1CCO[C@H](C(=O)Nc2cccc(-c3c[nH]nn3)c2)C1 ZINC000329557118 391014148 /nfs/dbraw/zinc/01/41/48/391014148.db2.gz FBBCSJXSTJZOLR-ZDUSSCGKSA-N 1 2 287.323 1.390 20 30 CDEDLO CC(C)N1CC[C@@H]([NH+]2CCC(F)(C#N)CC2)C1=O ZINC000352462030 391148535 /nfs/dbraw/zinc/14/85/35/391148535.db2.gz BDCPNAVUSGQMMQ-LLVKDONJSA-N 1 2 253.321 1.323 20 30 CDEDLO CCCCNC(=O)CO[NH+]=C(N)c1cccc(OC)c1 ZINC000174213827 391118787 /nfs/dbraw/zinc/11/87/87/391118787.db2.gz YWMJEUGXPBYHQH-UHFFFAOYSA-N 1 2 279.340 1.248 20 30 CDEDLO Cc1cccc(C)c1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000517034095 391177932 /nfs/dbraw/zinc/17/79/32/391177932.db2.gz RJZRJEMJGJDMMJ-INIZCTEOSA-N 1 2 273.380 1.806 20 30 CDEDLO C#CCN(C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C1CCCC1 ZINC000366127600 391219864 /nfs/dbraw/zinc/21/98/64/391219864.db2.gz LPIBMONRPDMGJE-LBPRGKRZSA-N 1 2 286.379 1.854 20 30 CDEDLO C#CCN(C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C1CCCC1 ZINC000366127600 391219866 /nfs/dbraw/zinc/21/98/66/391219866.db2.gz LPIBMONRPDMGJE-LBPRGKRZSA-N 1 2 286.379 1.854 20 30 CDEDLO CO[C@H](C)CO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000181602768 391225622 /nfs/dbraw/zinc/22/56/22/391225622.db2.gz SYRYUAIHIKKWIR-GFCCVEGCSA-N 1 2 292.383 1.744 20 30 CDEDLO C#C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)C(C)C ZINC000376566590 391240636 /nfs/dbraw/zinc/24/06/36/391240636.db2.gz VMGVLRAKNRAVOV-KFWWJZLASA-N 1 2 293.411 1.149 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N1CCCc2cc(OC)ccc21 ZINC000491734284 391248292 /nfs/dbraw/zinc/24/82/92/391248292.db2.gz SNRRUOCRLMNMJN-CYBMUJFWSA-N 1 2 286.375 1.928 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N1CCCc2cc(OC)ccc21 ZINC000491734284 391248298 /nfs/dbraw/zinc/24/82/98/391248298.db2.gz SNRRUOCRLMNMJN-CYBMUJFWSA-N 1 2 286.375 1.928 20 30 CDEDLO N#CCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000330464361 391426584 /nfs/dbraw/zinc/42/65/84/391426584.db2.gz DWYUPJNFZKRQRC-UHFFFAOYSA-N 1 2 259.309 1.347 20 30 CDEDLO CC[C@H](CO)NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000330666528 391457527 /nfs/dbraw/zinc/45/75/27/391457527.db2.gz SCIBAFWKSLMMJR-NWDGAFQWSA-N 1 2 280.372 1.343 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000349234694 391538905 /nfs/dbraw/zinc/53/89/05/391538905.db2.gz AVZIJLWBPQZGMW-NWDGAFQWSA-N 1 2 263.341 1.914 20 30 CDEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1csnn1 ZINC000412023947 391546747 /nfs/dbraw/zinc/54/67/47/391546747.db2.gz DSVYBJWARKSIQC-SNVBAGLBSA-N 1 2 266.370 1.389 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2snnc2C2CC2)CC1 ZINC000290007512 391622550 /nfs/dbraw/zinc/62/25/50/391622550.db2.gz DNLQYKVYVHZMHR-UHFFFAOYSA-N 1 2 290.392 1.197 20 30 CDEDLO CC[C@H]1C[N@H+](CCNC(=O)c2cc(C#N)oc2C)CCO1 ZINC000437172775 391628755 /nfs/dbraw/zinc/62/87/55/391628755.db2.gz SSPOXQWVBBDISL-LBPRGKRZSA-N 1 2 291.351 1.300 20 30 CDEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2cc(C#N)oc2C)CCO1 ZINC000437172775 391628759 /nfs/dbraw/zinc/62/87/59/391628759.db2.gz SSPOXQWVBBDISL-LBPRGKRZSA-N 1 2 291.351 1.300 20 30 CDEDLO C=CCCCC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000359025245 391574125 /nfs/dbraw/zinc/57/41/25/391574125.db2.gz FTTMSWUBGVBOJZ-CYBMUJFWSA-N 1 2 293.411 1.154 20 30 CDEDLO C=CCOCC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000360089823 391640067 /nfs/dbraw/zinc/64/00/67/391640067.db2.gz SSGHHSXXAMPYNF-ZDUSSCGKSA-N 1 2 298.333 1.886 20 30 CDEDLO C=CCN(CCC#N)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000359447494 391596768 /nfs/dbraw/zinc/59/67/68/391596768.db2.gz SAQNWXYQMUOZPZ-OAHLLOKOSA-N 1 2 291.395 1.558 20 30 CDEDLO C=CCN(CCC#N)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000359447494 391596770 /nfs/dbraw/zinc/59/67/70/391596770.db2.gz SAQNWXYQMUOZPZ-OAHLLOKOSA-N 1 2 291.395 1.558 20 30 CDEDLO C[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)C[C@]2(CCCOC2)O1 ZINC000366570582 391612432 /nfs/dbraw/zinc/61/24/32/391612432.db2.gz LBYPOULLUWCTHI-KFWWJZLASA-N 1 2 277.368 1.700 20 30 CDEDLO C[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)C[C@]2(CCCOC2)O1 ZINC000366570582 391612434 /nfs/dbraw/zinc/61/24/34/391612434.db2.gz LBYPOULLUWCTHI-KFWWJZLASA-N 1 2 277.368 1.700 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000362226102 391715831 /nfs/dbraw/zinc/71/58/31/391715831.db2.gz ZJPCACQBRVCCNP-ZFWWWQNUSA-N 1 2 268.401 1.768 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ncccc2O)C1=O ZINC000519850446 391715916 /nfs/dbraw/zinc/71/59/16/391715916.db2.gz LTUFQNQIGYYTMF-LBPRGKRZSA-N 1 2 261.325 1.006 20 30 CDEDLO C=CCOC[C@H]([NH2+]CC1(OC)CCCCC1)C(=O)OC ZINC000361109072 391682811 /nfs/dbraw/zinc/68/28/11/391682811.db2.gz DTEKFFQAKVWYDK-ZDUSSCGKSA-N 1 2 285.384 1.670 20 30 CDEDLO CN(C(=O)C[NH+]1CCN(CCC#N)CC1)C1CCCCC1 ZINC000103150063 391756439 /nfs/dbraw/zinc/75/64/39/391756439.db2.gz OKMYPBXXWMQGRJ-UHFFFAOYSA-N 1 2 292.427 1.309 20 30 CDEDLO C#Cc1ccccc1CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000289912890 391764839 /nfs/dbraw/zinc/76/48/39/391764839.db2.gz ODAYTNNERHJZKH-CQSZACIVSA-N 1 2 286.375 1.047 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)N(C)[C@H](C)C#N ZINC000334255239 392053561 /nfs/dbraw/zinc/05/35/61/392053561.db2.gz FBNFZBWGNZGGPP-SNVBAGLBSA-N 1 2 256.309 1.715 20 30 CDEDLO N#C[C@@H]1CSCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000334418430 392136580 /nfs/dbraw/zinc/13/65/80/392136580.db2.gz YOYCVSNTHRKEDU-CQSZACIVSA-N 1 2 298.371 1.953 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)NCC(C)C)n1 ZINC000279718346 392217405 /nfs/dbraw/zinc/21/74/05/392217405.db2.gz LJLWHKNBSCSKIO-CQSZACIVSA-N 1 2 290.411 1.499 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)NCC(C)C)n1 ZINC000279718346 392217409 /nfs/dbraw/zinc/21/74/09/392217409.db2.gz LJLWHKNBSCSKIO-CQSZACIVSA-N 1 2 290.411 1.499 20 30 CDEDLO N#Cc1ccc(C(=O)NCc2cn3ccccc3[nH+]2)cc1O ZINC000442614313 392437407 /nfs/dbraw/zinc/43/74/07/392437407.db2.gz GRONUNBZCQRRGH-UHFFFAOYSA-N 1 2 292.298 1.842 20 30 CDEDLO C[C@H]1CCC[C@@H](CO)[N@@H+]1Cc1nc(C#N)cs1 ZINC000419237993 392889651 /nfs/dbraw/zinc/88/96/51/392889651.db2.gz MNOGNZZPCYEGKS-ONGXEEELSA-N 1 2 251.355 1.750 20 30 CDEDLO C[C@H]1CCC[C@@H](CO)[N@H+]1Cc1nc(C#N)cs1 ZINC000419237993 392889660 /nfs/dbraw/zinc/88/96/60/392889660.db2.gz MNOGNZZPCYEGKS-ONGXEEELSA-N 1 2 251.355 1.750 20 30 CDEDLO Cc1[nH]nc(NCc2ccc(N3CCCC3)[nH+]c2)c1C#N ZINC000419738363 392894000 /nfs/dbraw/zinc/89/40/00/392894000.db2.gz DTAKNFMFCPCGNV-UHFFFAOYSA-N 1 2 282.351 1.619 20 30 CDEDLO Cc1cc(NC[C@H](C)Cn2cc[nH+]c2)c(C#N)cn1 ZINC000425210623 392993865 /nfs/dbraw/zinc/99/38/65/392993865.db2.gz UYDKGONICJVPBI-NSHDSACASA-N 1 2 255.325 1.628 20 30 CDEDLO CNC(=O)[C@H]1CCC[C@H]1Nc1cc(C)[nH+]cc1C#N ZINC000425243461 393002376 /nfs/dbraw/zinc/00/23/76/393002376.db2.gz FODPROUBJXGERN-NWDGAFQWSA-N 1 2 258.325 1.010 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000649206883 393032562 /nfs/dbraw/zinc/03/25/62/393032562.db2.gz JEECBILTXLIIHB-INIZCTEOSA-N 1 2 287.363 1.629 20 30 CDEDLO COCc1ccc(NC(=O)NCc2[nH+]ccn2C)cc1C#N ZINC000529215408 393038322 /nfs/dbraw/zinc/03/83/22/393038322.db2.gz ZIIMTQDKHCKLLJ-UHFFFAOYSA-N 1 2 299.334 1.760 20 30 CDEDLO C=CCNC(=O)CNc1nc(C2CC2)[nH+]c(C)c1OC ZINC000656152603 413060132 /nfs/dbraw/zinc/06/01/32/413060132.db2.gz AGHYXZCEIITREB-UHFFFAOYSA-N 1 2 276.340 1.385 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3ncccn3)CC2)cc1F ZINC000191878990 140138692 /nfs/dbraw/zinc/13/86/92/140138692.db2.gz JSDFFPPQVXZXDD-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc(C#N)cc1 ZINC000116287338 147268352 /nfs/dbraw/zinc/26/83/52/147268352.db2.gz UPCNDXAUTSRXLG-KBPBESRZSA-N 1 2 274.320 1.321 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000116287338 147268356 /nfs/dbraw/zinc/26/83/56/147268356.db2.gz UPCNDXAUTSRXLG-KBPBESRZSA-N 1 2 274.320 1.321 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(F)cc2)nn1 ZINC000656433305 413230658 /nfs/dbraw/zinc/23/06/58/413230658.db2.gz LEQYEGQDLIWERI-UHFFFAOYSA-N 1 2 258.300 1.578 20 30 CDEDLO Cn1ncc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1C#N ZINC000355440014 157056288 /nfs/dbraw/zinc/05/62/88/157056288.db2.gz GREABRRTSPIVSM-LLVKDONJSA-N 1 2 284.323 1.382 20 30 CDEDLO N#Cc1ccc(C(=O)NCCCn2cc[nH+]c2)s1 ZINC000362971646 159280950 /nfs/dbraw/zinc/28/09/50/159280950.db2.gz CXJANWKVBXFMLK-UHFFFAOYSA-N 1 2 260.322 1.636 20 30 CDEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCCOCC2)c(C#N)c1C ZINC000363153554 159302942 /nfs/dbraw/zinc/30/29/42/159302942.db2.gz TVNSGNXHPXEDOV-LLVKDONJSA-N 1 2 291.351 1.817 20 30 CDEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCCOCC2)c(C#N)c1C ZINC000363153554 159302943 /nfs/dbraw/zinc/30/29/43/159302943.db2.gz TVNSGNXHPXEDOV-LLVKDONJSA-N 1 2 291.351 1.817 20 30 CDEDLO N#Cc1ccc2ncc(C[N@@H+]3CCO[C@H]4CCC[C@H]43)n2c1 ZINC000372442598 160121774 /nfs/dbraw/zinc/12/17/74/160121774.db2.gz SWQHKWHXHVOWTN-CABCVRRESA-N 1 2 282.347 1.959 20 30 CDEDLO N#Cc1ccc2ncc(C[N@H+]3CCO[C@H]4CCC[C@H]43)n2c1 ZINC000372442598 160121776 /nfs/dbraw/zinc/12/17/76/160121776.db2.gz SWQHKWHXHVOWTN-CABCVRRESA-N 1 2 282.347 1.959 20 30 CDEDLO C=CCn1cc(CN[C@@H]2CCCn3cc[nH+]c32)nn1 ZINC000655776626 412486090 /nfs/dbraw/zinc/48/60/90/412486090.db2.gz KUTAGZHQCIRMRL-GFCCVEGCSA-N 1 2 258.329 1.285 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H](CC)[C@@H](O)C(F)(F)F)nn1 ZINC000657422371 414310010 /nfs/dbraw/zinc/31/00/10/414310010.db2.gz OMQRUDRPDOWNNA-WDEREUQCSA-N 1 2 292.305 1.646 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1(C#N)CCCCC1 ZINC000044386960 175170236 /nfs/dbraw/zinc/17/02/36/175170236.db2.gz QJLDTUOEQVPTSW-GFCCVEGCSA-N 1 2 260.341 1.862 20 30 CDEDLO C=CCNC(=O)CN(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000078489084 177346265 /nfs/dbraw/zinc/34/62/65/177346265.db2.gz WEJDQNCNINVMDK-UHFFFAOYSA-N 1 2 290.289 1.179 20 30 CDEDLO N#CC1(C[N@H+]2CCC[C@@H]2C(=O)N2CCSCC2)CCC1 ZINC000334776268 225318755 /nfs/dbraw/zinc/31/87/55/225318755.db2.gz YITDQVRBNVGIHE-CYBMUJFWSA-N 1 2 293.436 1.720 20 30 CDEDLO N#CC1(C[N@@H+]2CCC[C@@H]2C(=O)N2CCSCC2)CCC1 ZINC000334776268 225318761 /nfs/dbraw/zinc/31/87/61/225318761.db2.gz YITDQVRBNVGIHE-CYBMUJFWSA-N 1 2 293.436 1.720 20 30 CDEDLO N#CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000336611507 227180083 /nfs/dbraw/zinc/18/00/83/227180083.db2.gz RZDYSYRWLHRFBM-GFCCVEGCSA-N 1 2 272.352 1.740 20 30 CDEDLO C[C@H](C(=O)NC1CCCCC1)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000329096225 227294387 /nfs/dbraw/zinc/29/43/87/227294387.db2.gz YENRYDYGSBMCSU-YPMHNXCESA-N 1 2 281.400 1.827 20 30 CDEDLO C[C@H](C(=O)NC1CCCCC1)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000329096225 227294389 /nfs/dbraw/zinc/29/43/89/227294389.db2.gz YENRYDYGSBMCSU-YPMHNXCESA-N 1 2 281.400 1.827 20 30 CDEDLO Cc1cnc([C@H](C)N2CC[NH+](CC(=O)NC3CC3)CC2)o1 ZINC000329145390 227325712 /nfs/dbraw/zinc/32/57/12/227325712.db2.gz NRRWDFHGCHJFJQ-LBPRGKRZSA-N 1 2 292.383 1.781 20 30 CDEDLO Cc1ncoc1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000329986925 228007754 /nfs/dbraw/zinc/00/77/54/228007754.db2.gz FRKZHAYFIBJYJI-VIFPVBQESA-N 1 2 253.302 1.008 20 30 CDEDLO N#CC1(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCC1 ZINC000152818341 261069976 /nfs/dbraw/zinc/06/99/76/261069976.db2.gz MHPRLNKYDOAWGA-GFCCVEGCSA-N 1 2 270.336 1.470 20 30 CDEDLO CCN1CC[NH+](Cc2ccc(NC(=O)CC#N)cc2)CC1 ZINC000153576337 261080530 /nfs/dbraw/zinc/08/05/30/261080530.db2.gz YRNRRRJVWHGPBR-UHFFFAOYSA-N 1 2 286.379 1.676 20 30 CDEDLO Cc1noc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)n1 ZINC000158159387 261159889 /nfs/dbraw/zinc/15/98/89/261159889.db2.gz PRBHRKQYVUSQKZ-UHFFFAOYSA-N 1 2 274.280 1.150 20 30 CDEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)CC#N)CC2)c1 ZINC000185189804 262045374 /nfs/dbraw/zinc/04/53/74/262045374.db2.gz YNYPRLAKFLNLBM-CYBMUJFWSA-N 1 2 287.363 1.814 20 30 CDEDLO N#CCCCCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000364517891 262252676 /nfs/dbraw/zinc/25/26/76/262252676.db2.gz CKVSEXXJWMZGSN-UHFFFAOYSA-N 1 2 277.393 1.916 20 30 CDEDLO N#CCCCCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC000364517891 262252678 /nfs/dbraw/zinc/25/26/78/262252678.db2.gz CKVSEXXJWMZGSN-UHFFFAOYSA-N 1 2 277.393 1.916 20 30 CDEDLO C=C(C)CNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411374595 262690950 /nfs/dbraw/zinc/69/09/50/262690950.db2.gz DDGUKALUDVYLRD-UHFFFAOYSA-N 1 2 261.325 1.638 20 30 CDEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)C1 ZINC000278658633 263049511 /nfs/dbraw/zinc/04/95/11/263049511.db2.gz QHTZTFLSGFFVGX-DZGCQCFKSA-N 1 2 299.374 1.842 20 30 CDEDLO CC(C)(C#N)CC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000279188324 263053560 /nfs/dbraw/zinc/05/35/60/263053560.db2.gz DQEPYGGAAIFOFO-UHFFFAOYSA-N 1 2 260.341 1.986 20 30 CDEDLO CC(=O)N1CCC[C@H](C/[NH+]=C/c2ccc(O)c(O)c2O)C1 ZINC000280991627 263065573 /nfs/dbraw/zinc/06/55/73/263065573.db2.gz MTRPQLLCXUCOAJ-FNQVVVRFSA-N 1 2 292.335 1.481 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(CC#N)cc1 ZINC000340124328 263073722 /nfs/dbraw/zinc/07/37/22/263073722.db2.gz LDXJTUOWEBUIBQ-CYBMUJFWSA-N 1 2 287.363 1.203 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(CC#N)cc1 ZINC000340124328 263073723 /nfs/dbraw/zinc/07/37/23/263073723.db2.gz LDXJTUOWEBUIBQ-CYBMUJFWSA-N 1 2 287.363 1.203 20 30 CDEDLO CO/N=C/C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000283105466 263081137 /nfs/dbraw/zinc/08/11/37/263081137.db2.gz XJYVNBKFQQSQEW-OQLLNIDSSA-N 1 2 260.297 1.093 20 30 CDEDLO NC(=[NH+]OCc1nc(-c2ccsc2)no1)[C@@H]1CCCO1 ZINC000284621745 263087701 /nfs/dbraw/zinc/08/77/01/263087701.db2.gz ZRGUTVYWWMKFSA-VIFPVBQESA-N 1 2 294.336 1.766 20 30 CDEDLO C=CCN1CC[C@H](O[NH+]=C(N)[C@@H](C)OCC(C)C)C1=O ZINC000289330530 263109198 /nfs/dbraw/zinc/10/91/98/263109198.db2.gz DNASOIJAXPSERH-NEPJUHHUSA-N 1 2 283.372 1.123 20 30 CDEDLO C=CC(C)(C)CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000452775678 263144927 /nfs/dbraw/zinc/14/49/27/263144927.db2.gz OXTVFIXNBAPMGG-CQSZACIVSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC(C)(C)CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000452775678 263144929 /nfs/dbraw/zinc/14/49/29/263144929.db2.gz OXTVFIXNBAPMGG-CQSZACIVSA-N 1 2 280.412 1.816 20 30 CDEDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)CC(C)(C)CC#N ZINC000296420125 263191526 /nfs/dbraw/zinc/19/15/26/263191526.db2.gz UUBJBFTTXRCDTO-UHFFFAOYSA-N 1 2 298.412 1.475 20 30 CDEDLO CCn1cc[nH+]c1CNC(=O)c1ccc(/C=N/OC)cc1 ZINC000297208216 263201992 /nfs/dbraw/zinc/20/19/92/263201992.db2.gz MYMWPOCCOGVGEA-VCHYOVAHSA-N 1 2 286.335 1.813 20 30 CDEDLO C=C(C)C[N@@H+](CC)[C@@H](C)c1nc(N)nc(N(C)C)n1 ZINC000119636766 263276848 /nfs/dbraw/zinc/27/68/48/263276848.db2.gz VXKDCSCFRPCTHT-JTQLQIEISA-N 1 2 264.377 1.479 20 30 CDEDLO C=C(C)C[N@H+](CC)[C@@H](C)c1nc(N)nc(N(C)C)n1 ZINC000119636766 263276849 /nfs/dbraw/zinc/27/68/49/263276849.db2.gz VXKDCSCFRPCTHT-JTQLQIEISA-N 1 2 264.377 1.479 20 30 CDEDLO C=CC[N@@H+](C)Cc1nnc2n1c1ccccc1c(=O)n2CC ZINC000121131676 263290323 /nfs/dbraw/zinc/29/03/23/263290323.db2.gz DAHGBEUCVNJFAW-UHFFFAOYSA-N 1 2 297.362 1.682 20 30 CDEDLO C=CC[N@H+](C)Cc1nnc2n1c1ccccc1c(=O)n2CC ZINC000121131676 263290324 /nfs/dbraw/zinc/29/03/24/263290324.db2.gz DAHGBEUCVNJFAW-UHFFFAOYSA-N 1 2 297.362 1.682 20 30 CDEDLO COCC1(C#N)CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000341983102 263370972 /nfs/dbraw/zinc/37/09/72/263370972.db2.gz TZAMLDAIVZHEGV-UHFFFAOYSA-N 1 2 293.411 1.687 20 30 CDEDLO Cc1nc(C[N@H+](C)CCCC2(C#N)CCOCC2)no1 ZINC000330391538 263925774 /nfs/dbraw/zinc/92/57/74/263925774.db2.gz PGARAMQLLWCWQO-UHFFFAOYSA-N 1 2 278.356 1.910 20 30 CDEDLO Cc1nc(C[N@@H+](C)CCCC2(C#N)CCOCC2)no1 ZINC000330391538 263925776 /nfs/dbraw/zinc/92/57/76/263925776.db2.gz PGARAMQLLWCWQO-UHFFFAOYSA-N 1 2 278.356 1.910 20 30 CDEDLO N#CCSCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000330760140 264031270 /nfs/dbraw/zinc/03/12/70/264031270.db2.gz GNUNGEUDSYHUIY-JTQLQIEISA-N 1 2 264.354 1.720 20 30 CDEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC000330858924 264055608 /nfs/dbraw/zinc/05/56/08/264055608.db2.gz TZVXUKDLHMWNRE-RKDXNWHRSA-N 1 2 250.327 1.363 20 30 CDEDLO COCCCNC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000331181924 264155368 /nfs/dbraw/zinc/15/53/68/264155368.db2.gz HJZYPRUFRRRDBX-YPMHNXCESA-N 1 2 296.371 1.180 20 30 CDEDLO C=C(CC)CNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000456811915 264345062 /nfs/dbraw/zinc/34/50/62/264345062.db2.gz KXKBLDYZUCYQNB-UHFFFAOYSA-N 1 2 288.395 1.286 20 30 CDEDLO C=CC[C@H](C)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660681575 423779293 /nfs/dbraw/zinc/77/92/93/423779293.db2.gz QPGWMGHHXDHQRF-STQMWFEESA-N 1 2 267.373 1.067 20 30 CDEDLO C=CC[N@@H+](Cc1ncnn1CCC)[C@H](C)COC ZINC000661240674 424072149 /nfs/dbraw/zinc/07/21/49/424072149.db2.gz PXMZLGFCUSBWJB-GFCCVEGCSA-N 1 2 252.362 1.711 20 30 CDEDLO C=CC[N@H+](Cc1ncnn1CCC)[C@H](C)COC ZINC000661240674 424072162 /nfs/dbraw/zinc/07/21/62/424072162.db2.gz PXMZLGFCUSBWJB-GFCCVEGCSA-N 1 2 252.362 1.711 20 30 CDEDLO C[C@H](C#N)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000357919459 266385115 /nfs/dbraw/zinc/38/51/15/266385115.db2.gz VRNWJSBXTTVNOO-GFCCVEGCSA-N 1 2 268.320 1.707 20 30 CDEDLO Cc1cc(N[C@@H](C)CC[S@](C)=O)c(C#N)c[nH+]1 ZINC000399562334 267301769 /nfs/dbraw/zinc/30/17/69/267301769.db2.gz FTYUALRORCNDPD-XYZCENFISA-N 1 2 251.355 1.253 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120060337 267354172 /nfs/dbraw/zinc/35/41/72/267354172.db2.gz MZMLSSRBUNQQOG-SNVBAGLBSA-N 1 2 269.776 1.801 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120060337 267354174 /nfs/dbraw/zinc/35/41/74/267354174.db2.gz MZMLSSRBUNQQOG-SNVBAGLBSA-N 1 2 269.776 1.801 20 30 CDEDLO C=C(C)CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000335801487 275417925 /nfs/dbraw/zinc/41/79/25/275417925.db2.gz KJCVYYDFPLKXAF-CHWSQXEVSA-N 1 2 267.373 1.067 20 30 CDEDLO CCN(C[C@@H]1CCCO1)C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329627215 276351201 /nfs/dbraw/zinc/35/12/01/276351201.db2.gz UETPFNSYSFJXCU-NEPJUHHUSA-N 1 2 292.383 1.682 20 30 CDEDLO CCN(C[C@@H]1CCCO1)C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329627215 276351202 /nfs/dbraw/zinc/35/12/02/276351202.db2.gz UETPFNSYSFJXCU-NEPJUHHUSA-N 1 2 292.383 1.682 20 30 CDEDLO CC(C)(C)[C@@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)CCO1 ZINC000331852532 277240869 /nfs/dbraw/zinc/24/08/69/277240869.db2.gz MLSSDDWFYMAKRJ-XJKSGUPXSA-N 1 2 293.411 1.542 20 30 CDEDLO CC(C)(C)[C@@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CCO1 ZINC000331852532 277240870 /nfs/dbraw/zinc/24/08/70/277240870.db2.gz MLSSDDWFYMAKRJ-XJKSGUPXSA-N 1 2 293.411 1.542 20 30 CDEDLO CC(C)(C)[N@H+](CC(N)=O)Cc1cc(C#N)ccc1F ZINC000134013229 278338804 /nfs/dbraw/zinc/33/88/04/278338804.db2.gz YABRLMCROVPREI-UHFFFAOYSA-N 1 2 263.316 1.783 20 30 CDEDLO CC(C)(C)[N@@H+](CC(N)=O)Cc1cc(C#N)ccc1F ZINC000134013229 278338807 /nfs/dbraw/zinc/33/88/07/278338807.db2.gz YABRLMCROVPREI-UHFFFAOYSA-N 1 2 263.316 1.783 20 30 CDEDLO Cc1cncc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000131088698 279663265 /nfs/dbraw/zinc/66/32/65/279663265.db2.gz JANRSDQWSISUSR-OAHLLOKOSA-N 1 2 280.331 1.578 20 30 CDEDLO C[C@H]([NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCCCO1 ZINC000330201724 289233781 /nfs/dbraw/zinc/23/37/81/289233781.db2.gz YGFXWBVMWLKQHT-XQQFMLRXSA-N 1 2 292.383 1.659 20 30 CDEDLO C[C@H](NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCCCO1 ZINC000330201724 289233783 /nfs/dbraw/zinc/23/37/83/289233783.db2.gz YGFXWBVMWLKQHT-XQQFMLRXSA-N 1 2 292.383 1.659 20 30 CDEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2coc(C)c2)c1C#N ZINC000547738980 289802476 /nfs/dbraw/zinc/80/24/76/289802476.db2.gz GKTPYYNXDZLQMU-UHFFFAOYSA-N 1 2 287.323 1.009 20 30 CDEDLO C[N@@H+]1CCN(C(=O)CSCC#N)[C@H](c2ccccc2)C1 ZINC000041777460 290012905 /nfs/dbraw/zinc/01/29/05/290012905.db2.gz FZQSIGCEKUYKDP-AWEZNQCLSA-N 1 2 289.404 1.758 20 30 CDEDLO C[N@H+]1CCN(C(=O)CSCC#N)[C@H](c2ccccc2)C1 ZINC000041777460 290012909 /nfs/dbraw/zinc/01/29/09/290012909.db2.gz FZQSIGCEKUYKDP-AWEZNQCLSA-N 1 2 289.404 1.758 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)c2ccc(F)c(C#N)c2)CCO1 ZINC000556811160 290301924 /nfs/dbraw/zinc/30/19/24/290301924.db2.gz PSHBYDVCOURBGK-NSHDSACASA-N 1 2 291.326 1.148 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc(F)c(C#N)c2)CCO1 ZINC000556811160 290301927 /nfs/dbraw/zinc/30/19/27/290301927.db2.gz PSHBYDVCOURBGK-NSHDSACASA-N 1 2 291.326 1.148 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000355503140 327939191 /nfs/dbraw/zinc/93/91/91/327939191.db2.gz IZSUCDHWAKRFOW-TZMCWYRMSA-N 1 2 267.373 1.105 20 30 CDEDLO Cc1cc(C#N)ccc1S(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000563932479 316399079 /nfs/dbraw/zinc/39/90/79/316399079.db2.gz MNOLJJAACFRQLQ-UHFFFAOYSA-N 1 2 262.294 1.391 20 30 CDEDLO N#Cc1ccc(NCc2cc[nH+]c(N3CCCC3)c2)nc1N ZINC000577413318 317328840 /nfs/dbraw/zinc/32/88/40/317328840.db2.gz VWGHHDFCNXXBBO-UHFFFAOYSA-N 1 2 294.362 1.565 20 30 CDEDLO Cc1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccn1C(C)C ZINC000571093418 328085175 /nfs/dbraw/zinc/08/51/75/328085175.db2.gz CDGQFKAGLMRAOG-HNNXBMFYSA-N 1 2 276.384 1.951 20 30 CDEDLO N#CC1(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000572921145 328098420 /nfs/dbraw/zinc/09/84/20/328098420.db2.gz PYYWFWHQOFPNAS-UHFFFAOYSA-N 1 2 280.331 1.965 20 30 CDEDLO N#CCCC1CC[NH+](Cc2ncc(C#N)cn2)CC1 ZINC000571320595 328105166 /nfs/dbraw/zinc/10/51/66/328105166.db2.gz RBJPAIKCRJJNSN-UHFFFAOYSA-N 1 2 255.325 1.864 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000412354581 328109248 /nfs/dbraw/zinc/10/92/48/328109248.db2.gz KBGDHYHZRPQWNY-GFCCVEGCSA-N 1 2 282.384 1.200 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000412354581 328109249 /nfs/dbraw/zinc/10/92/49/328109249.db2.gz KBGDHYHZRPQWNY-GFCCVEGCSA-N 1 2 282.384 1.200 20 30 CDEDLO CNc1nc(NCC(C)(C)CC#N)[nH+]c2ccccc21 ZINC000413401409 328144346 /nfs/dbraw/zinc/14/43/46/328144346.db2.gz DTVNJEZSKFSRDJ-UHFFFAOYSA-N 1 2 269.352 1.867 20 30 CDEDLO N#CC1(C(=O)NCc2ccn3cc[nH+]c3c2)CCC1 ZINC000268551792 328185230 /nfs/dbraw/zinc/18/52/30/328185230.db2.gz WGVQEALOZYZSFP-UHFFFAOYSA-N 1 2 254.293 1.644 20 30 CDEDLO C#CC[N@@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000111242559 328338888 /nfs/dbraw/zinc/33/88/88/328338888.db2.gz XULBQGVYGUBNFX-UHFFFAOYSA-N 1 2 269.348 1.359 20 30 CDEDLO C#CC[N@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000111242559 328338889 /nfs/dbraw/zinc/33/88/89/328338889.db2.gz XULBQGVYGUBNFX-UHFFFAOYSA-N 1 2 269.348 1.359 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@]23CCNC3=O)c1F ZINC000579137780 324117109 /nfs/dbraw/zinc/11/71/09/324117109.db2.gz ITAPTTUGIJLASR-HNNXBMFYSA-N 1 2 273.311 1.552 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCC[C@@]23CCNC3=O)c1F ZINC000579137780 324117112 /nfs/dbraw/zinc/11/71/12/324117112.db2.gz ITAPTTUGIJLASR-HNNXBMFYSA-N 1 2 273.311 1.552 20 30 CDEDLO N#Cc1cncc(N2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000579347879 324162310 /nfs/dbraw/zinc/16/23/10/324162310.db2.gz QFYICERVDDXXEY-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO CCC(C#N)(CC)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000529366427 328477170 /nfs/dbraw/zinc/47/71/70/328477170.db2.gz OWXROBDRPMSZDI-ZIAGYGMSSA-N 1 2 293.411 1.638 20 30 CDEDLO CC1CC(C#N)(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000533754403 326925769 /nfs/dbraw/zinc/92/57/69/326925769.db2.gz OPIYIGFZOQVSSH-MQYJIDSJSA-N 1 2 272.352 1.676 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000047993035 327276606 /nfs/dbraw/zinc/27/66/06/327276606.db2.gz KHUPZXUMNAKXFU-DGCLKSJQSA-N 1 2 269.414 1.478 20 30 CDEDLO CN(C)c1[nH+]cc(CNC[C@H](C#N)CCC#N)n1C ZINC000583435808 327362233 /nfs/dbraw/zinc/36/22/33/327362233.db2.gz FOVQKCJIQLZQTA-NSHDSACASA-N 1 2 260.345 1.019 20 30 CDEDLO CN(C)c1ncc(C[NH2+]C[C@H](C#N)CCC#N)n1C ZINC000583435808 327362234 /nfs/dbraw/zinc/36/22/34/327362234.db2.gz FOVQKCJIQLZQTA-NSHDSACASA-N 1 2 260.345 1.019 20 30 CDEDLO C[C@@H](CC(=O)N1CCSC[C@@H]1C#N)n1cc[nH+]c1 ZINC000570519187 327597962 /nfs/dbraw/zinc/59/79/62/327597962.db2.gz DKJWHGXYVVXALR-QWRGUYRKSA-N 1 2 264.354 1.302 20 30 CDEDLO C#CCC(C)(C)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000375121603 329000721 /nfs/dbraw/zinc/00/07/21/329000721.db2.gz SQKVFZJUYCDHKK-GFCCVEGCSA-N 1 2 259.353 1.786 20 30 CDEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn1C(F)F ZINC000582730452 329132070 /nfs/dbraw/zinc/13/20/70/329132070.db2.gz KOHOMHQRAUQVDJ-GFCCVEGCSA-N 1 2 285.298 1.160 20 30 CDEDLO N#CC1(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000419635793 329742929 /nfs/dbraw/zinc/74/29/29/329742929.db2.gz CTVFOEIYXUXKEF-UHFFFAOYSA-N 1 2 299.378 1.607 20 30 CDEDLO C#CC[C@H]([NH2+]Cc1nnc(C)n1C)c1ccccc1 ZINC000271716520 330081930 /nfs/dbraw/zinc/08/19/30/330081930.db2.gz PFORUZHIAMJUOM-AWEZNQCLSA-N 1 2 254.337 1.978 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CC(C)C)C(=O)OCC ZINC000451607907 331036493 /nfs/dbraw/zinc/03/64/93/331036493.db2.gz LZUYDTPCMXCNAJ-AGIUHOORSA-N 1 2 255.358 1.897 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@@H](O)[C@H](OC)C2)c1C ZINC000451746370 331041043 /nfs/dbraw/zinc/04/10/43/331041043.db2.gz CNQIWAUCVCWHLR-HZPDHXFCSA-N 1 2 292.379 1.165 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@@H](O)[C@H](OC)C2)c1C ZINC000451746370 331041044 /nfs/dbraw/zinc/04/10/44/331041044.db2.gz CNQIWAUCVCWHLR-HZPDHXFCSA-N 1 2 292.379 1.165 20 30 CDEDLO C=CC(C)(C)CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000454534494 331148140 /nfs/dbraw/zinc/14/81/40/331148140.db2.gz FDMMBHGYDULBJI-QWHCGFSZSA-N 1 2 283.416 1.607 20 30 CDEDLO N#CCCCC(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000488576843 332018694 /nfs/dbraw/zinc/01/86/94/332018694.db2.gz NLOQMXQNAAPCQO-CYBMUJFWSA-N 1 2 258.325 1.248 20 30 CDEDLO C=C(C)CNC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000488602674 332020216 /nfs/dbraw/zinc/02/02/16/332020216.db2.gz WZZPAAWXBKJCIL-LBPRGKRZSA-N 1 2 262.357 1.944 20 30 CDEDLO C=CCCCS(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000489615480 332061566 /nfs/dbraw/zinc/06/15/66/332061566.db2.gz FDIQPMWUJOJYJH-LLVKDONJSA-N 1 2 269.370 1.843 20 30 CDEDLO C#CCN(CC#CC)C(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000490740758 332111100 /nfs/dbraw/zinc/11/11/00/332111100.db2.gz QLWWXTHCFXGABQ-UHFFFAOYSA-N 1 2 279.343 1.980 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2CC(=C)C)CC1 ZINC000491069574 332145806 /nfs/dbraw/zinc/14/58/06/332145806.db2.gz WSYXHBGLWXXRRZ-UHFFFAOYSA-N 1 2 285.395 1.487 20 30 CDEDLO C#C[C@H]([NH2+]Cc1cnnn1C)c1ccc(Cl)cc1 ZINC000491228527 332169605 /nfs/dbraw/zinc/16/96/05/332169605.db2.gz AFDJETGLDYZFQA-ZDUSSCGKSA-N 1 2 260.728 1.933 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000491315978 332188852 /nfs/dbraw/zinc/18/88/52/332188852.db2.gz RINAINSENVSMLJ-LLVKDONJSA-N 1 2 260.341 1.311 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000491360484 332196599 /nfs/dbraw/zinc/19/65/99/332196599.db2.gz GITQLAFAZYPFTC-UHFFFAOYSA-N 1 2 274.320 1.351 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000491360484 332196600 /nfs/dbraw/zinc/19/66/00/332196600.db2.gz GITQLAFAZYPFTC-UHFFFAOYSA-N 1 2 274.320 1.351 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000491386521 332202325 /nfs/dbraw/zinc/20/23/25/332202325.db2.gz VCOQKFRFIWATOY-JTQLQIEISA-N 1 2 286.422 1.452 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000491386521 332202327 /nfs/dbraw/zinc/20/23/27/332202327.db2.gz VCOQKFRFIWATOY-JTQLQIEISA-N 1 2 286.422 1.452 20 30 CDEDLO C#CC[N@@H+](CC(=O)N([C@@H](C)C1CC1)C1CC1)C1CC1 ZINC000491460781 332215603 /nfs/dbraw/zinc/21/56/03/332215603.db2.gz AZNFJMDLIQJMPP-LBPRGKRZSA-N 1 2 260.381 1.874 20 30 CDEDLO C#CC[N@H+](CC(=O)N([C@@H](C)C1CC1)C1CC1)C1CC1 ZINC000491460781 332215604 /nfs/dbraw/zinc/21/56/04/332215604.db2.gz AZNFJMDLIQJMPP-LBPRGKRZSA-N 1 2 260.381 1.874 20 30 CDEDLO C#CC[N@@H+](CCSC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000491523760 332229120 /nfs/dbraw/zinc/22/91/20/332229120.db2.gz HCCYXPHGEMAOOT-GFCCVEGCSA-N 1 2 289.466 1.640 20 30 CDEDLO C#CC[N@H+](CCSC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000491523760 332229122 /nfs/dbraw/zinc/22/91/22/332229122.db2.gz HCCYXPHGEMAOOT-GFCCVEGCSA-N 1 2 289.466 1.640 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1OCC ZINC000172168062 335096623 /nfs/dbraw/zinc/09/66/23/335096623.db2.gz IJSLOXXTWBDQAI-CYBMUJFWSA-N 1 2 274.364 1.655 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1OCC ZINC000172168062 335096624 /nfs/dbraw/zinc/09/66/24/335096624.db2.gz IJSLOXXTWBDQAI-CYBMUJFWSA-N 1 2 274.364 1.655 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@H](O)COc1cccc(C)c1 ZINC000491619010 332245256 /nfs/dbraw/zinc/24/52/56/332245256.db2.gz FFRJXCRRHYBCIV-GJZGRUSLSA-N 1 2 275.348 1.069 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](O)COc1cccc(C)c1 ZINC000491619010 332245258 /nfs/dbraw/zinc/24/52/58/332245258.db2.gz FFRJXCRRHYBCIV-GJZGRUSLSA-N 1 2 275.348 1.069 20 30 CDEDLO C#CC[N@@H+](Cc1nc(-c2cc(OC)ncn2)no1)C1CC1 ZINC000491733029 332314172 /nfs/dbraw/zinc/31/41/72/332314172.db2.gz BBTURKHYMAGPCV-UHFFFAOYSA-N 1 2 285.307 1.133 20 30 CDEDLO C#CC[N@H+](Cc1nc(-c2cc(OC)ncn2)no1)C1CC1 ZINC000491733029 332314174 /nfs/dbraw/zinc/31/41/74/332314174.db2.gz BBTURKHYMAGPCV-UHFFFAOYSA-N 1 2 285.307 1.133 20 30 CDEDLO C#C[C@H](CCC)NC(=O)NCc1c[nH+]ccc1OC ZINC000491741375 332320227 /nfs/dbraw/zinc/32/02/27/332320227.db2.gz IJGUCZVYMLLOMH-GFCCVEGCSA-N 1 2 261.325 1.691 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000491745828 332323518 /nfs/dbraw/zinc/32/35/18/332323518.db2.gz YZLDYNAWWFBIDK-RYUDHWBXSA-N 1 2 260.341 1.299 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccnn1C1CCCC1 ZINC000491764362 332332989 /nfs/dbraw/zinc/33/29/89/332332989.db2.gz CVIHSXJFQNMXSO-GFCCVEGCSA-N 1 2 274.368 1.890 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccnn1C1CCCC1 ZINC000491764362 332332990 /nfs/dbraw/zinc/33/29/90/332332990.db2.gz CVIHSXJFQNMXSO-GFCCVEGCSA-N 1 2 274.368 1.890 20 30 CDEDLO C#CC[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000491774410 332340387 /nfs/dbraw/zinc/34/03/87/332340387.db2.gz WELZWLCACIZHDX-UHFFFAOYSA-N 1 2 297.318 1.293 20 30 CDEDLO N#CCCN(CC[C@H]1CCCO1)CC[NH+]1CCOCC1 ZINC000189498861 333193840 /nfs/dbraw/zinc/19/38/40/333193840.db2.gz MVVNADJVUOETAC-OAHLLOKOSA-N 1 2 281.400 1.103 20 30 CDEDLO C#CC[NH+]1CCN(CN2C[C@H](CC(C)(C)C)OC2=O)CC1 ZINC000190188224 333204169 /nfs/dbraw/zinc/20/41/69/333204169.db2.gz XFCLRTCMTLCCGN-AWEZNQCLSA-N 1 2 293.411 1.452 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NC[C@H](C#N)CCC#N)C(C)(C)CO ZINC000580773936 335178808 /nfs/dbraw/zinc/17/88/08/335178808.db2.gz JRPWQXKHBPEMQX-STQMWFEESA-N 1 2 289.383 1.513 20 30 CDEDLO CCC[C@H]1C[N@H+](CC(=O)N(CC)C[C@H](C)C#N)CCO1 ZINC000248134457 334295696 /nfs/dbraw/zinc/29/56/96/334295696.db2.gz XDMNGEUENINNGY-KGLIPLIRSA-N 1 2 281.400 1.495 20 30 CDEDLO CCC[C@H]1C[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)CCO1 ZINC000248134457 334295697 /nfs/dbraw/zinc/29/56/97/334295697.db2.gz XDMNGEUENINNGY-KGLIPLIRSA-N 1 2 281.400 1.495 20 30 CDEDLO CC[C@@H]1C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CCO1 ZINC000555482720 334479584 /nfs/dbraw/zinc/47/95/84/334479584.db2.gz HZCVFALDSSYBNJ-SCRDCRAPSA-N 1 2 267.373 1.152 20 30 CDEDLO CC[C@@H]1CCCC[C@H]1OCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000576758761 335244530 /nfs/dbraw/zinc/24/45/30/335244530.db2.gz GKERXVHELYLEBN-IIAWOOMASA-N 1 2 295.427 1.932 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000580583702 335291242 /nfs/dbraw/zinc/29/12/42/335291242.db2.gz ZQDOHVCPRXGARO-AWEZNQCLSA-N 1 2 270.336 1.456 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1noc2c1CCCCC2 ZINC000577378504 335345017 /nfs/dbraw/zinc/34/50/17/335345017.db2.gz YDLYXEMIXWUNQB-HNNXBMFYSA-N 1 2 290.367 1.517 20 30 CDEDLO CCN1CCN(CC2(C#N)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000578572147 335650360 /nfs/dbraw/zinc/65/03/60/335650360.db2.gz PJLJVYAEHLOAHS-GFCCVEGCSA-N 1 2 259.357 1.392 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCCN(C)C1=O ZINC001754490460 1159242386 /nfs/dbraw/zinc/24/23/86/1159242386.db2.gz QBBMUXPTBWILTO-STQMWFEESA-N 1 2 293.411 1.010 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCCN(C)C1=O ZINC001754490460 1159242390 /nfs/dbraw/zinc/24/23/90/1159242390.db2.gz QBBMUXPTBWILTO-STQMWFEESA-N 1 2 293.411 1.010 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000581832695 336149383 /nfs/dbraw/zinc/14/93/83/336149383.db2.gz PSESUHGNQOKPHM-JHJVBQTASA-N 1 2 251.374 1.963 20 30 CDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCOC[C@H]2C2CCC2)cc1 ZINC000566853968 482440483 /nfs/dbraw/zinc/44/04/83/482440483.db2.gz LNOBUJBGJKATKM-INIZCTEOSA-N 1 2 299.374 1.998 20 30 CDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCOC[C@H]2C2CCC2)cc1 ZINC000566853968 482440484 /nfs/dbraw/zinc/44/04/84/482440484.db2.gz LNOBUJBGJKATKM-INIZCTEOSA-N 1 2 299.374 1.998 20 30 CDEDLO COCC#CCN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000679218975 483303458 /nfs/dbraw/zinc/30/34/58/483303458.db2.gz OLWTWDZIPAFPGE-UHFFFAOYSA-N 1 2 281.359 1.880 20 30 CDEDLO C=CCOCC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000676116532 483419792 /nfs/dbraw/zinc/41/97/92/483419792.db2.gz FMBBFTYFNNBJCX-ZDUSSCGKSA-N 1 2 293.367 1.218 20 30 CDEDLO C=CCOCC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000676116532 483419797 /nfs/dbraw/zinc/41/97/97/483419797.db2.gz FMBBFTYFNNBJCX-ZDUSSCGKSA-N 1 2 293.367 1.218 20 30 CDEDLO CCc1nnc(C[NH2+][C@@H](C)CNC(=O)C#CC(C)(C)C)o1 ZINC001752869283 1160815710 /nfs/dbraw/zinc/81/57/10/1160815710.db2.gz JELHHPJXWBZWTO-NSHDSACASA-N 1 2 292.383 1.276 20 30 CDEDLO Cc1noc([C@@H](C)[NH2+][C@@H](C)CNC(=O)C#CC(C)(C)C)n1 ZINC001752869360 1160816407 /nfs/dbraw/zinc/81/64/07/1160816407.db2.gz KFQUPZNJKFQKFZ-WDEREUQCSA-N 1 2 292.383 1.583 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001106081126 1161047887 /nfs/dbraw/zinc/04/78/87/1161047887.db2.gz YAISSMINUNWHGC-DOMZBBRYSA-N 1 2 292.383 1.276 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2cc(Cl)cc(C#N)c2)C1 ZINC000310961307 1186678236 /nfs/dbraw/zinc/67/82/36/1186678236.db2.gz BRYPCWFOVSDXLP-ZDUSSCGKSA-N 1 2 266.728 1.921 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2cc(Cl)cc(C#N)c2)C1 ZINC000310961299 1186678488 /nfs/dbraw/zinc/67/84/88/1186678488.db2.gz BRYPCWFOVSDXLP-CYBMUJFWSA-N 1 2 266.728 1.921 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2cc(Cl)cc(C#N)c2)C1 ZINC000310961299 1186678491 /nfs/dbraw/zinc/67/84/91/1186678491.db2.gz BRYPCWFOVSDXLP-CYBMUJFWSA-N 1 2 266.728 1.921 20 30 CDEDLO C=C(C)CS(=O)(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000184344800 518624807 /nfs/dbraw/zinc/62/48/07/518624807.db2.gz YDGDGNXENZBGQQ-UHFFFAOYSA-N 1 2 295.408 1.677 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@@H](C)c1csc(CC)n1 ZINC000184684137 518894405 /nfs/dbraw/zinc/89/44/05/518894405.db2.gz MLWCHALUVUTWKV-VIFPVBQESA-N 1 2 253.371 1.658 20 30 CDEDLO N#CC1(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)CC1 ZINC000352687113 534550448 /nfs/dbraw/zinc/55/04/48/534550448.db2.gz URSNETGEPGGPEV-NXEZZACHSA-N 1 2 262.275 1.783 20 30 CDEDLO N#CC1(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)CC1 ZINC000352687113 534550453 /nfs/dbraw/zinc/55/04/53/534550453.db2.gz URSNETGEPGGPEV-NXEZZACHSA-N 1 2 262.275 1.783 20 30 CDEDLO C#CCCCCC(=O)NC[C@@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113561187 1162221696 /nfs/dbraw/zinc/22/16/96/1162221696.db2.gz UTAFPSJHOFFICD-CYBMUJFWSA-N 1 2 288.395 1.920 20 30 CDEDLO Cn1c(C[NH2+][C@H]2CCC[C@H]2C#N)nc2ccccc2c1=O ZINC000332122474 534693125 /nfs/dbraw/zinc/69/31/25/534693125.db2.gz DZBWBLJRBDBULO-AAEUAGOBSA-N 1 2 282.347 1.715 20 30 CDEDLO COCCCNC(=O)C[N@H+](C)Cc1cccc(C#N)c1F ZINC000340742044 523319683 /nfs/dbraw/zinc/31/96/83/523319683.db2.gz JXPISHNYXJVIIE-UHFFFAOYSA-N 1 2 293.342 1.282 20 30 CDEDLO COCCCNC(=O)C[N@@H+](C)Cc1cccc(C#N)c1F ZINC000340742044 523319701 /nfs/dbraw/zinc/31/97/01/523319701.db2.gz JXPISHNYXJVIIE-UHFFFAOYSA-N 1 2 293.342 1.282 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(C#CCO)c1 ZINC000049239566 524962660 /nfs/dbraw/zinc/96/26/60/524962660.db2.gz DQWFZCZGAGMJMX-ZDUSSCGKSA-N 1 2 283.331 1.045 20 30 CDEDLO Cc1cccc2[nH+]c(CNC(=O)N3CCO[C@@H](C#N)C3)cn21 ZINC000069479002 524983388 /nfs/dbraw/zinc/98/33/88/524983388.db2.gz YZJVBZLLPJZDGT-ZDUSSCGKSA-N 1 2 299.334 1.077 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000347954847 527401497 /nfs/dbraw/zinc/40/14/97/527401497.db2.gz KPRUWTHAUQTHCR-GHMZBOCLSA-N 1 2 251.330 1.958 20 30 CDEDLO COC[C@@H](C)[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341808347 536524918 /nfs/dbraw/zinc/52/49/18/536524918.db2.gz KCWVEKAHRZOZHT-IUODEOHRSA-N 1 2 260.337 1.966 20 30 CDEDLO COC[C@@H](C)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341808347 536524922 /nfs/dbraw/zinc/52/49/22/536524922.db2.gz KCWVEKAHRZOZHT-IUODEOHRSA-N 1 2 260.337 1.966 20 30 CDEDLO CCCNC(=O)C[N@H+](CCC)C[C@@H](C#N)CCC#N ZINC000352790838 528384183 /nfs/dbraw/zinc/38/41/83/528384183.db2.gz WDPLRWGRSMNBKR-CYBMUJFWSA-N 1 2 264.373 1.668 20 30 CDEDLO CCCNC(=O)C[N@@H+](CCC)C[C@@H](C#N)CCC#N ZINC000352790838 528384186 /nfs/dbraw/zinc/38/41/86/528384186.db2.gz WDPLRWGRSMNBKR-CYBMUJFWSA-N 1 2 264.373 1.668 20 30 CDEDLO CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191539689 535551969 /nfs/dbraw/zinc/55/19/69/535551969.db2.gz CYQSFJYGROHSGO-HNNXBMFYSA-N 1 2 274.368 1.387 20 30 CDEDLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191539689 535551975 /nfs/dbraw/zinc/55/19/75/535551975.db2.gz CYQSFJYGROHSGO-HNNXBMFYSA-N 1 2 274.368 1.387 20 30 CDEDLO COc1ccc(O)c(/C=N\CC[N@@H+]2CCOC[C@H]2C)c1 ZINC000729149615 574722982 /nfs/dbraw/zinc/72/29/82/574722982.db2.gz MJTIAAGWZXQJJP-YUSFRKCESA-N 1 2 278.352 1.540 20 30 CDEDLO COc1ccc(O)c(/C=N\CC[N@H+]2CCOC[C@H]2C)c1 ZINC000729149615 574722983 /nfs/dbraw/zinc/72/29/83/574722983.db2.gz MJTIAAGWZXQJJP-YUSFRKCESA-N 1 2 278.352 1.540 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C#N)c1 ZINC000730095591 574848529 /nfs/dbraw/zinc/84/85/29/574848529.db2.gz OURQQEYRSKGNCM-AWEZNQCLSA-N 1 2 253.305 1.594 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C#N)c1 ZINC000730095591 574848530 /nfs/dbraw/zinc/84/85/30/574848530.db2.gz OURQQEYRSKGNCM-AWEZNQCLSA-N 1 2 253.305 1.594 20 30 CDEDLO C#Cc1ccc(C(=O)NCc2cn3cccc(C)c3[nH+]2)nc1 ZINC000732095095 575079578 /nfs/dbraw/zinc/07/95/78/575079578.db2.gz UTPSYLBHAHJOIV-UHFFFAOYSA-N 1 2 290.326 1.949 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC1 ZINC000733162703 575102436 /nfs/dbraw/zinc/10/24/36/575102436.db2.gz RSTYYXGYHAWEJG-UHFFFAOYSA-N 1 2 297.358 1.568 20 30 CDEDLO CC[N@@H+]1CCCC[C@H]1C(=O)[C@H](C#N)c1ccncn1 ZINC000774414754 575203609 /nfs/dbraw/zinc/20/36/09/575203609.db2.gz JQDMWPICGNOLID-YPMHNXCESA-N 1 2 258.325 1.527 20 30 CDEDLO CC[N@H+]1CCCC[C@H]1C(=O)[C@H](C#N)c1ccncn1 ZINC000774414754 575203610 /nfs/dbraw/zinc/20/36/10/575203610.db2.gz JQDMWPICGNOLID-YPMHNXCESA-N 1 2 258.325 1.527 20 30 CDEDLO CC(=[NH+]Nc1nc2c(cnn2C)c(=O)[nH]1)c1ccc(N)cc1 ZINC000769817025 575388817 /nfs/dbraw/zinc/38/88/17/575388817.db2.gz KFLYKGZEPLJWBX-UHFFFAOYSA-N 1 2 297.322 1.487 20 30 CDEDLO N#CC1(CS(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000766075615 576076592 /nfs/dbraw/zinc/07/65/92/576076592.db2.gz CMTGVAFELNNYNO-JTQLQIEISA-N 1 2 280.353 1.180 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761072875 576541278 /nfs/dbraw/zinc/54/12/78/576541278.db2.gz FOYNLEONUIWCMT-KBPBESRZSA-N 1 2 265.401 1.211 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761072875 576541279 /nfs/dbraw/zinc/54/12/79/576541279.db2.gz FOYNLEONUIWCMT-KBPBESRZSA-N 1 2 265.401 1.211 20 30 CDEDLO C#CCOc1ccc(C(=O)NCc2[nH+]ccn2C)cc1 ZINC000741681860 576567482 /nfs/dbraw/zinc/56/74/82/576567482.db2.gz KKVGILIIJCXSIA-UHFFFAOYSA-N 1 2 269.304 1.362 20 30 CDEDLO C#C[C@@H](CC)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000754371392 576893603 /nfs/dbraw/zinc/89/36/03/576893603.db2.gz FPSLEPGNLGUFMJ-LBPRGKRZSA-N 1 2 254.293 1.409 20 30 CDEDLO CC[C@H](C)NC(=O)[C@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000749787769 576962151 /nfs/dbraw/zinc/96/21/51/576962151.db2.gz YEXKHGVVZUNHRF-UWVGGRQHSA-N 1 2 281.331 1.766 20 30 CDEDLO C[C@@H]1C[N@H+](CC/N=C/c2cc([N+](=O)[O-])ccc2O)CCO1 ZINC000750949542 577018555 /nfs/dbraw/zinc/01/85/55/577018555.db2.gz GNCQOSJDSPQTIO-BTAWCLGRSA-N 1 2 293.323 1.440 20 30 CDEDLO C[C@@H]1C[N@@H+](CC/N=C/c2cc([N+](=O)[O-])ccc2O)CCO1 ZINC000750949542 577018557 /nfs/dbraw/zinc/01/85/57/577018557.db2.gz GNCQOSJDSPQTIO-BTAWCLGRSA-N 1 2 293.323 1.440 20 30 CDEDLO CCn1cc(C[N@H+](C)Cn2cccc(C#N)c2=O)cn1 ZINC000758222403 577085060 /nfs/dbraw/zinc/08/50/60/577085060.db2.gz CYSARRYWTUTNEU-UHFFFAOYSA-N 1 2 271.324 1.026 20 30 CDEDLO CCn1cc(C[N@@H+](C)Cn2cccc(C#N)c2=O)cn1 ZINC000758222403 577085062 /nfs/dbraw/zinc/08/50/62/577085062.db2.gz CYSARRYWTUTNEU-UHFFFAOYSA-N 1 2 271.324 1.026 20 30 CDEDLO CCC1(O)CC[NH+](Cn2ccc(C)c(C#N)c2=O)CC1 ZINC000758226619 577085333 /nfs/dbraw/zinc/08/53/33/577085333.db2.gz YRDUOEUJGDAGCR-UHFFFAOYSA-N 1 2 275.352 1.223 20 30 CDEDLO Cc1ccn(C[N@@H+]2CC[C@]3(CCOC3)C2)c(=O)c1C#N ZINC000758236162 577087699 /nfs/dbraw/zinc/08/76/99/577087699.db2.gz LVBMSHBQSAEXAN-HNNXBMFYSA-N 1 2 273.336 1.098 20 30 CDEDLO Cc1ccn(C[N@H+]2CC[C@]3(CCOC3)C2)c(=O)c1C#N ZINC000758236162 577087702 /nfs/dbraw/zinc/08/77/02/577087702.db2.gz LVBMSHBQSAEXAN-HNNXBMFYSA-N 1 2 273.336 1.098 20 30 CDEDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cn1cccc(C#N)c1=O ZINC000758240462 577088797 /nfs/dbraw/zinc/08/87/97/577088797.db2.gz QFDZMANJTICFOQ-CQSZACIVSA-N 1 2 297.362 1.420 20 30 CDEDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cn1cccc(C#N)c1=O ZINC000758240462 577088798 /nfs/dbraw/zinc/08/87/98/577088798.db2.gz QFDZMANJTICFOQ-CQSZACIVSA-N 1 2 297.362 1.420 20 30 CDEDLO COc1cccc2c1CC[N@H+](Cn1cccc(C#N)c1=O)C2 ZINC000758249055 577090941 /nfs/dbraw/zinc/09/09/41/577090941.db2.gz OBWWIQHJWNCACM-UHFFFAOYSA-N 1 2 295.342 1.744 20 30 CDEDLO COc1cccc2c1CC[N@@H+](Cn1cccc(C#N)c1=O)C2 ZINC000758249055 577090942 /nfs/dbraw/zinc/09/09/42/577090942.db2.gz OBWWIQHJWNCACM-UHFFFAOYSA-N 1 2 295.342 1.744 20 30 CDEDLO C#CCNC(=S)N1C[C@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000758256279 577092092 /nfs/dbraw/zinc/09/20/92/577092092.db2.gz IXYVSJZAORKTQM-CQSZACIVSA-N 1 2 296.399 1.995 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCC([NH2+]CCC(=O)[O-])CC2)cc1 ZINC000821329589 598191786 /nfs/dbraw/zinc/19/17/86/598191786.db2.gz BUFVLBNQIMBGFB-UHFFFAOYSA-N 1 2 287.363 1.587 20 30 CDEDLO N#Cc1cccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)c1 ZINC000822836955 599404139 /nfs/dbraw/zinc/40/41/39/599404139.db2.gz BURITNMISULPMZ-UHFFFAOYSA-N 1 2 280.291 1.621 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820219635 606911132 /nfs/dbraw/zinc/91/11/32/606911132.db2.gz HLNVFRMASDPZAP-MFKMUULPSA-N 1 2 286.339 1.134 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820219635 606911134 /nfs/dbraw/zinc/91/11/34/606911134.db2.gz HLNVFRMASDPZAP-MFKMUULPSA-N 1 2 286.339 1.134 20 30 CDEDLO C=CC[C@H]1CCN1C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000890552592 617206197 /nfs/dbraw/zinc/20/61/97/617206197.db2.gz PFLPCXMUPSHNBR-DZGCQCFKSA-N 1 2 278.396 1.807 20 30 CDEDLO C=CC[C@H]1CCN1C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000890552592 617206198 /nfs/dbraw/zinc/20/61/98/617206198.db2.gz PFLPCXMUPSHNBR-DZGCQCFKSA-N 1 2 278.396 1.807 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC000950627629 612991774 /nfs/dbraw/zinc/99/17/74/612991774.db2.gz GKVGZMGRUSPDCY-UHFFFAOYSA-N 1 2 296.374 1.733 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccncc2C)C1 ZINC000950040719 612992382 /nfs/dbraw/zinc/99/23/82/612992382.db2.gz WQOOAVJGCMKLFS-UHFFFAOYSA-N 1 2 271.364 1.560 20 30 CDEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCF)CC2(C)C)c1 ZINC000975011434 613220561 /nfs/dbraw/zinc/22/05/61/613220561.db2.gz LAQIYDWJFCAECO-CQSZACIVSA-N 1 2 289.354 1.473 20 30 CDEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCF)CC2(C)C)c1 ZINC000975011434 613220562 /nfs/dbraw/zinc/22/05/62/613220562.db2.gz LAQIYDWJFCAECO-CQSZACIVSA-N 1 2 289.354 1.473 20 30 CDEDLO C=C(C)CC[NH+]1CC(N(CC)C(=O)c2[nH]nnc2C)C1 ZINC000951110911 613246140 /nfs/dbraw/zinc/24/61/40/613246140.db2.gz BSEGTSPKOBXIGF-UHFFFAOYSA-N 1 2 277.372 1.226 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cncc3nc[nH]c32)C1 ZINC000950385499 613297463 /nfs/dbraw/zinc/29/74/63/613297463.db2.gz WMQDDWADNBEPTK-UHFFFAOYSA-N 1 2 299.378 1.680 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cccc3nccn32)CC1 ZINC000949274172 613320938 /nfs/dbraw/zinc/32/09/38/613320938.db2.gz BWPGSCYXMLIVEO-UHFFFAOYSA-N 1 2 284.363 1.668 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC23CC3)C1 ZINC000970487313 613371652 /nfs/dbraw/zinc/37/16/52/613371652.db2.gz AZOHOGUWVXLJPT-PWSUYJOCSA-N 1 2 268.788 1.976 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2=COCCC2)C1 ZINC000969372812 613371984 /nfs/dbraw/zinc/37/19/84/613371984.db2.gz JOAAVHBVXSUXMX-NSHDSACASA-N 1 2 284.787 1.870 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccnn2)C1 ZINC000968460898 613375489 /nfs/dbraw/zinc/37/54/89/613375489.db2.gz YOFYFTZSGNTRTC-MFKMUULPSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccnn2)C1 ZINC000968460898 613375490 /nfs/dbraw/zinc/37/54/90/613375490.db2.gz YOFYFTZSGNTRTC-MFKMUULPSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]n2)C[C@@H]1C ZINC000947483469 613379462 /nfs/dbraw/zinc/37/94/62/613379462.db2.gz CHBNFSDONDMKMD-UWVGGRQHSA-N 1 2 283.763 1.140 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]n2)C[C@@H]1C ZINC000947483469 613379463 /nfs/dbraw/zinc/37/94/63/613379463.db2.gz CHBNFSDONDMKMD-UWVGGRQHSA-N 1 2 283.763 1.140 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn[nH]2)C[C@@H]1C ZINC000947483469 613379464 /nfs/dbraw/zinc/37/94/64/613379464.db2.gz CHBNFSDONDMKMD-UWVGGRQHSA-N 1 2 283.763 1.140 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn[nH]2)C[C@@H]1C ZINC000947483469 613379465 /nfs/dbraw/zinc/37/94/65/613379465.db2.gz CHBNFSDONDMKMD-UWVGGRQHSA-N 1 2 283.763 1.140 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C(C)(C)C1 ZINC000974972765 613380048 /nfs/dbraw/zinc/38/00/48/613380048.db2.gz LNJLMQYTSXEQOF-XQHKEYJVSA-N 1 2 298.814 1.458 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C(C)(C)C1 ZINC000974972765 613380049 /nfs/dbraw/zinc/38/00/49/613380049.db2.gz LNJLMQYTSXEQOF-XQHKEYJVSA-N 1 2 298.814 1.458 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2nc(C)c[nH]2)C(C)(C)C1 ZINC000977291612 613381187 /nfs/dbraw/zinc/38/11/87/613381187.db2.gz JHUVGSVLPBVWRM-NSHDSACASA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2nc(C)c[nH]2)C(C)(C)C1 ZINC000977291612 613381188 /nfs/dbraw/zinc/38/11/88/613381188.db2.gz JHUVGSVLPBVWRM-NSHDSACASA-N 1 2 296.802 1.911 20 30 CDEDLO CC#CCN1CC(N(CC)C(=O)c2cccc3[nH+]ccn32)C1 ZINC000950865412 613527920 /nfs/dbraw/zinc/52/79/20/613527920.db2.gz KZGBZKRQCKGUOD-UHFFFAOYSA-N 1 2 296.374 1.504 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCc2scnc2C)CC1 ZINC000956996586 613562548 /nfs/dbraw/zinc/56/25/48/613562548.db2.gz YZLZWUJPUNEAMZ-UHFFFAOYSA-N 1 2 291.420 1.552 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000957517847 613563095 /nfs/dbraw/zinc/56/30/95/613563095.db2.gz PCFNAKWUWWNYOP-UHFFFAOYSA-N 1 2 274.339 1.536 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H]2CCO[C@H](CC)C2)CC1 ZINC000957107208 613563290 /nfs/dbraw/zinc/56/32/90/613563290.db2.gz OGDAYXJNWQKNRP-JKSUJKDBSA-N 1 2 292.423 1.749 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(CC)CC3)C2)C1 ZINC000972541082 613570174 /nfs/dbraw/zinc/57/01/74/613570174.db2.gz WRQYULUEEODHIA-KRWDZBQOSA-N 1 2 290.407 1.503 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(CC)CC3)C2)C1 ZINC000972541082 613570176 /nfs/dbraw/zinc/57/01/76/613570176.db2.gz WRQYULUEEODHIA-KRWDZBQOSA-N 1 2 290.407 1.503 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccccc3)C2)C1 ZINC000972231963 613571111 /nfs/dbraw/zinc/57/11/11/613571111.db2.gz YICIRXPRZSLAEN-GOSISDBHSA-N 1 2 298.386 1.627 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccccc3)C2)C1 ZINC000972231963 613571114 /nfs/dbraw/zinc/57/11/14/613571114.db2.gz YICIRXPRZSLAEN-GOSISDBHSA-N 1 2 298.386 1.627 20 30 CDEDLO O=C(NCC#C[C@@H]1CCCCO1)[C@H]1CCn2cc[nH+]c2C1 ZINC000891116041 617365792 /nfs/dbraw/zinc/36/57/92/617365792.db2.gz KBFQWAPGLSNJRR-KBPBESRZSA-N 1 2 287.363 1.134 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC23CC(OCC)C3)C1 ZINC000951745915 613653742 /nfs/dbraw/zinc/65/37/42/613653742.db2.gz OFMAMSIMCVXZOH-CKDBGZEDSA-N 1 2 292.423 1.910 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CO[C@@H](C)C2)C1 ZINC000950673203 613655995 /nfs/dbraw/zinc/65/59/95/613655995.db2.gz SWQHUSWFYWZOMY-NWDGAFQWSA-N 1 2 252.358 1.130 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2cc(C)ccc2OC)CC1 ZINC000949155329 613709526 /nfs/dbraw/zinc/70/95/26/613709526.db2.gz OBOMFAYYGWMPFC-UHFFFAOYSA-N 1 2 288.391 1.876 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCc3cccnc32)CC1 ZINC000949796475 613712772 /nfs/dbraw/zinc/71/27/72/613712772.db2.gz XHTIVOHYFHPANX-HNNXBMFYSA-N 1 2 285.391 1.832 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc(OC)c(Cl)c2)CC1 ZINC000957750096 613718160 /nfs/dbraw/zinc/71/81/60/613718160.db2.gz POBBBQKFHIMWPI-UHFFFAOYSA-N 1 2 295.770 1.687 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCCO3)C2)C1 ZINC000972270217 613725654 /nfs/dbraw/zinc/72/56/54/613725654.db2.gz APGPVMLJSYXUHA-GOEBONIOSA-N 1 2 294.395 1.045 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCCO3)C2)C1 ZINC000972270217 613725656 /nfs/dbraw/zinc/72/56/56/613725656.db2.gz APGPVMLJSYXUHA-GOEBONIOSA-N 1 2 294.395 1.045 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3occc3C)C2)C1 ZINC000972255883 613727064 /nfs/dbraw/zinc/72/70/64/613727064.db2.gz AWZWVFRMZQRCND-MRXNPFEDSA-N 1 2 290.363 1.691 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3occc3C)C2)C1 ZINC000972255883 613727065 /nfs/dbraw/zinc/72/70/65/613727065.db2.gz AWZWVFRMZQRCND-MRXNPFEDSA-N 1 2 290.363 1.691 20 30 CDEDLO COc1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)o1 ZINC000891558217 617478241 /nfs/dbraw/zinc/47/82/41/617478241.db2.gz BENLQRCNDOFIOG-UHFFFAOYSA-N 1 2 298.346 1.877 20 30 CDEDLO CS(=O)(=O)CC[N@H+](Cc1ccc(CC#N)cc1)C1CC1 ZINC000784204971 617826516 /nfs/dbraw/zinc/82/65/16/617826516.db2.gz QHBJDWDAXMJGMM-UHFFFAOYSA-N 1 2 292.404 1.762 20 30 CDEDLO CS(=O)(=O)CC[N@@H+](Cc1ccc(CC#N)cc1)C1CC1 ZINC000784204971 617826519 /nfs/dbraw/zinc/82/65/19/617826519.db2.gz QHBJDWDAXMJGMM-UHFFFAOYSA-N 1 2 292.404 1.762 20 30 CDEDLO N#CCC(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910781044 618501128 /nfs/dbraw/zinc/50/11/28/618501128.db2.gz LNUBOOHZUWWZJF-UHFFFAOYSA-N 1 2 255.321 1.387 20 30 CDEDLO N#CCC(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910781044 618501132 /nfs/dbraw/zinc/50/11/32/618501132.db2.gz LNUBOOHZUWWZJF-UHFFFAOYSA-N 1 2 255.321 1.387 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2ccc(F)cc2Cl)CCCN1O ZINC000895160581 619378199 /nfs/dbraw/zinc/37/81/99/619378199.db2.gz BCBVPEQMWFZEKM-NSHDSACASA-N 1 2 272.707 1.949 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1 ZINC000896188197 620020920 /nfs/dbraw/zinc/02/09/20/620020920.db2.gz YWJOJRAZTABIOB-KBPBESRZSA-N 1 2 286.375 1.507 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000896188200 620020932 /nfs/dbraw/zinc/02/09/32/620020932.db2.gz YWJOJRAZTABIOB-ZIAGYGMSSA-N 1 2 286.375 1.507 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000896220878 620027093 /nfs/dbraw/zinc/02/70/93/620027093.db2.gz JZKITGRKNPCCTE-AWEZNQCLSA-N 1 2 285.391 1.034 20 30 CDEDLO Cc1nc([C@@H](C)O[NH+]=C(N)c2ccc(F)cc2)no1 ZINC000842019347 620857366 /nfs/dbraw/zinc/85/73/66/620857366.db2.gz MAJUBRGBYAQONC-SSDOTTSWSA-N 1 2 264.260 1.915 20 30 CDEDLO Cc1cc(NC(=O)CNc2cccc[nH+]2)n(CCC#N)n1 ZINC000900327266 622894604 /nfs/dbraw/zinc/89/46/04/622894604.db2.gz NWBOVRRBVWBVLK-UHFFFAOYSA-N 1 2 284.323 1.551 20 30 CDEDLO Cc1cc(C)c(C(=O)N2CCN(CC#N)CC2)c(C)[nH+]1 ZINC000906757119 627399990 /nfs/dbraw/zinc/39/99/90/627399990.db2.gz NNPAHTGOCKKFDT-UHFFFAOYSA-N 1 2 272.352 1.288 20 30 CDEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000908659641 628320082 /nfs/dbraw/zinc/32/00/82/628320082.db2.gz KGNFCXMOMRSHPH-CYBMUJFWSA-N 1 2 275.352 1.787 20 30 CDEDLO CC#CC[C@@H](CO)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000911605680 629349926 /nfs/dbraw/zinc/34/99/26/629349926.db2.gz IEQPHRBBUPHBQG-ZDUSSCGKSA-N 1 2 260.337 1.511 20 30 CDEDLO Cn1c(N)nc(Cl)c1C=[NH+]OC[C@H]1CCOC1 ZINC000814911601 631460886 /nfs/dbraw/zinc/46/08/86/631460886.db2.gz AGBGJLBSRABOKJ-ZETCQYMHSA-N 1 2 258.709 1.043 20 30 CDEDLO CCOC(=O)[C@H](C#N)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC001170369442 1162344100 /nfs/dbraw/zinc/34/41/00/1162344100.db2.gz VFUNGQRZUVAPBK-LBPRGKRZSA-N 1 2 285.307 1.194 20 30 CDEDLO CN(CCNc1ccc(C#N)nc1)C(=O)CCn1cc[nH+]c1 ZINC001101889300 1160649347 /nfs/dbraw/zinc/64/93/47/1160649347.db2.gz VMAJWMMKIWWZNZ-UHFFFAOYSA-N 1 2 298.350 1.110 20 30 CDEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](F)CC)c2C1 ZINC001128442553 1161470979 /nfs/dbraw/zinc/47/09/79/1161470979.db2.gz IBDFLZKXQDNTNU-ZDUSSCGKSA-N 1 2 294.374 1.639 20 30 CDEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H](F)CC)c2C1 ZINC001128442553 1161470982 /nfs/dbraw/zinc/47/09/82/1161470982.db2.gz IBDFLZKXQDNTNU-ZDUSSCGKSA-N 1 2 294.374 1.639 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C)n1 ZINC001085490047 1161943348 /nfs/dbraw/zinc/94/33/48/1161943348.db2.gz NVIQFYIDMZCTHV-CYBMUJFWSA-N 1 2 257.337 1.170 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C)n1 ZINC001085490047 1161943349 /nfs/dbraw/zinc/94/33/49/1161943349.db2.gz NVIQFYIDMZCTHV-CYBMUJFWSA-N 1 2 257.337 1.170 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1cc(C#N)nc(C)n1 ZINC001157468470 1162103410 /nfs/dbraw/zinc/10/34/10/1162103410.db2.gz OGUFLEXJRINRNN-UHFFFAOYSA-N 1 2 256.313 1.380 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)C(C)(C)C2CC2)CC1 ZINC001113237630 1162135210 /nfs/dbraw/zinc/13/52/10/1162135210.db2.gz ZSBKIZMTLRRQLT-UHFFFAOYSA-N 1 2 280.412 1.769 20 30 CDEDLO C#Cc1cncc(C(=O)NCC[NH2+]Cc2nc(C)c(C)o2)c1 ZINC001133589759 1163800321 /nfs/dbraw/zinc/80/03/21/1163800321.db2.gz YMEKCQBAYOVEBG-UHFFFAOYSA-N 1 2 298.346 1.187 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCCC[NH2+]Cc1c[nH]nn1 ZINC001575071881 1171101964 /nfs/dbraw/zinc/10/19/64/1171101964.db2.gz DAIVSCBPYGPWKH-CYBMUJFWSA-N 1 2 265.361 1.003 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCCC[NH2+]Cc1cn[nH]n1 ZINC001575071881 1171101969 /nfs/dbraw/zinc/10/19/69/1171101969.db2.gz DAIVSCBPYGPWKH-CYBMUJFWSA-N 1 2 265.361 1.003 20 30 CDEDLO C=CCC1(C(=O)NC[C@@H](C)C[NH2+]Cc2cn[nH]n2)CCC1 ZINC001575085601 1171109040 /nfs/dbraw/zinc/10/90/40/1171109040.db2.gz OFSSIHKQOXOCLY-LBPRGKRZSA-N 1 2 291.399 1.393 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)Cc1ccc(C#N)cc1 ZINC000070159135 1171646578 /nfs/dbraw/zinc/64/65/78/1171646578.db2.gz WQWPREWYWPBPSX-UHFFFAOYSA-N 1 2 268.320 1.193 20 30 CDEDLO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]cc3ncnc2-3)C1 ZINC001660988711 1172314789 /nfs/dbraw/zinc/31/47/89/1172314789.db2.gz VEUGLUQKLVEMGB-GFCCVEGCSA-N 1 2 299.378 1.728 20 30 CDEDLO C=CCCC[N@H+]1CC[C@@H](NC(=O)c2c[nH]cc3ncnc2-3)C1 ZINC001660988711 1172314796 /nfs/dbraw/zinc/31/47/96/1172314796.db2.gz VEUGLUQKLVEMGB-GFCCVEGCSA-N 1 2 299.378 1.728 20 30 CDEDLO C[C@]1(C#N)CC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001603736237 1175611653 /nfs/dbraw/zinc/61/16/53/1175611653.db2.gz IDRANHKJBLWSDJ-OAHLLOKOSA-N 1 2 298.350 1.481 20 30 CDEDLO C[C@]1(C#N)CC[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001603736237 1175611656 /nfs/dbraw/zinc/61/16/56/1175611656.db2.gz IDRANHKJBLWSDJ-OAHLLOKOSA-N 1 2 298.350 1.481 20 30 CDEDLO COc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1OCC(N)=O ZINC000132287415 1175791524 /nfs/dbraw/zinc/79/15/24/1175791524.db2.gz QYQGVRKIWMMGPC-NSHDSACASA-N 1 2 291.351 1.293 20 30 CDEDLO COc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1OCC(N)=O ZINC000132287415 1175791530 /nfs/dbraw/zinc/79/15/30/1175791530.db2.gz QYQGVRKIWMMGPC-NSHDSACASA-N 1 2 291.351 1.293 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCCC)C1 ZINC001752316447 1184850861 /nfs/dbraw/zinc/85/08/61/1184850861.db2.gz YXBWDQVHENJDIH-CYBMUJFWSA-N 1 2 281.400 1.059 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCCC)C1 ZINC001752316447 1184850864 /nfs/dbraw/zinc/85/08/64/1184850864.db2.gz YXBWDQVHENJDIH-CYBMUJFWSA-N 1 2 281.400 1.059 20 30 CDEDLO C=C(C)CCC(=O)NC1C[NH+](CCn2nc(C)cc2C)C1 ZINC001753379341 1185177342 /nfs/dbraw/zinc/17/73/42/1185177342.db2.gz PWFYINUQCFQYBA-UHFFFAOYSA-N 1 2 290.411 1.657 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COCCCC ZINC001753419627 1185195117 /nfs/dbraw/zinc/19/51/17/1185195117.db2.gz QAAUFHJNCDGHHU-KBPBESRZSA-N 1 2 264.369 1.112 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COCCCC ZINC001753419627 1185195120 /nfs/dbraw/zinc/19/51/20/1185195120.db2.gz QAAUFHJNCDGHHU-KBPBESRZSA-N 1 2 264.369 1.112 20 30 CDEDLO Cc1cnc([C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C#CC2CC2)o1 ZINC001754310531 1185569739 /nfs/dbraw/zinc/56/97/39/1185569739.db2.gz IUYAFMNAHSTQSJ-AAEUAGOBSA-N 1 2 289.379 1.894 20 30 CDEDLO Cc1cnc([C@H](C)[N@H+](C)C[C@H](C)NC(=O)C#CC2CC2)o1 ZINC001754310531 1185569744 /nfs/dbraw/zinc/56/97/44/1185569744.db2.gz IUYAFMNAHSTQSJ-AAEUAGOBSA-N 1 2 289.379 1.894 20 30 CDEDLO CC#CCCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1cccnc1 ZINC001754491911 1185640797 /nfs/dbraw/zinc/64/07/97/1185640797.db2.gz RPAARBFIHNJJAO-INIZCTEOSA-N 1 2 285.391 1.966 20 30 CDEDLO CC#CCCCC(=O)NC[C@@H]1CC[N@H+]1Cc1cccnc1 ZINC001754491911 1185640800 /nfs/dbraw/zinc/64/08/00/1185640800.db2.gz RPAARBFIHNJJAO-INIZCTEOSA-N 1 2 285.391 1.966 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)C1CCCC1 ZINC001754499105 1185643952 /nfs/dbraw/zinc/64/39/52/1185643952.db2.gz BKGPTXWUQPCUJZ-HOCLYGCPSA-N 1 2 292.423 1.653 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)C1CCCC1 ZINC001754499105 1185643956 /nfs/dbraw/zinc/64/39/56/1185643956.db2.gz BKGPTXWUQPCUJZ-HOCLYGCPSA-N 1 2 292.423 1.653 20 30 CDEDLO C=CCCCC(=O)NCC1([NH2+]Cc2nonc2C)CC1 ZINC001754523411 1185657796 /nfs/dbraw/zinc/65/77/96/1185657796.db2.gz UFEHKGLLOIPOIB-UHFFFAOYSA-N 1 2 278.356 1.473 20 30 CDEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)C(C)(C)C(F)F)C1 ZINC001754774628 1185729195 /nfs/dbraw/zinc/72/91/95/1185729195.db2.gz UWFAQBCZWVYOCD-UHFFFAOYSA-N 1 2 276.327 1.017 20 30 CDEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)Cc2ccsc2)C1 ZINC001755329499 1185920599 /nfs/dbraw/zinc/92/05/99/1185920599.db2.gz CQJYSNRNLRNSBQ-UHFFFAOYSA-N 1 2 294.420 1.420 20 30 CDEDLO C#CC[N@@H+](C)CCN(C(=O)c1ccc2[nH]nnc2c1)C(C)C ZINC001755817760 1186077856 /nfs/dbraw/zinc/07/78/56/1186077856.db2.gz XVLLUDAUQVGMHC-UHFFFAOYSA-N 1 2 299.378 1.374 20 30 CDEDLO C#CC[N@H+](C)CCN(C(=O)c1ccc2[nH]nnc2c1)C(C)C ZINC001755817760 1186077858 /nfs/dbraw/zinc/07/78/58/1186077858.db2.gz XVLLUDAUQVGMHC-UHFFFAOYSA-N 1 2 299.378 1.374 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2cc(Cl)cc(C#N)c2)C1 ZINC000310961307 1186678229 /nfs/dbraw/zinc/67/82/29/1186678229.db2.gz BRYPCWFOVSDXLP-ZDUSSCGKSA-N 1 2 266.728 1.921 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)c1ccccc1OCC#N ZINC001772477758 1187252576 /nfs/dbraw/zinc/25/25/76/1187252576.db2.gz CZIVZINHFUPSNV-UHFFFAOYSA-N 1 2 284.319 1.295 20 30 CDEDLO CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1[nH]ncc1F ZINC001135408114 1164138786 /nfs/dbraw/zinc/13/87/86/1164138786.db2.gz SFTRXABKJVSWQY-UWVGGRQHSA-N 1 2 266.320 1.059 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C1=COCCC1 ZINC001420532288 963020508 /nfs/dbraw/zinc/02/05/08/963020508.db2.gz AQKRXZDGSVQCAR-NSHDSACASA-N 1 2 272.776 1.870 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(-c3ccco3)n[nH]2)C1 ZINC001030997798 844014282 /nfs/dbraw/zinc/01/42/82/844014282.db2.gz VPLMWVVHHNTCMT-UHFFFAOYSA-N 1 2 284.319 1.107 20 30 CDEDLO C=CCN(CCOC)c1cc(NCCC)[nH+]cn1 ZINC000865723589 844019570 /nfs/dbraw/zinc/01/95/70/844019570.db2.gz OHJZSXHQRVFOLD-UHFFFAOYSA-N 1 2 250.346 1.937 20 30 CDEDLO C=CCN(CCOC)c1cc(NCCC)nc[nH+]1 ZINC000865723589 844019577 /nfs/dbraw/zinc/01/95/77/844019577.db2.gz OHJZSXHQRVFOLD-UHFFFAOYSA-N 1 2 250.346 1.937 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@]2(C)CCO[C@H]2C)C1 ZINC001043452544 844081981 /nfs/dbraw/zinc/08/19/81/844081981.db2.gz INBHNYBMACLVEB-WFASDCNBSA-N 1 2 266.385 1.520 20 30 CDEDLO COC(=O)[C@H](C[C@@H]1CCCO1)[NH2+]CCCSCC#N ZINC000886950977 844091226 /nfs/dbraw/zinc/09/12/26/844091226.db2.gz UWPFHWUYSHRQHQ-RYUDHWBXSA-N 1 2 286.397 1.334 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccon1 ZINC001027767092 844122708 /nfs/dbraw/zinc/12/27/08/844122708.db2.gz YSPDWLSLOAQBDI-SNVBAGLBSA-N 1 2 269.732 1.621 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccon1 ZINC001027767092 844122773 /nfs/dbraw/zinc/12/27/73/844122773.db2.gz YSPDWLSLOAQBDI-SNVBAGLBSA-N 1 2 269.732 1.621 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001035409319 844640712 /nfs/dbraw/zinc/64/07/12/844640712.db2.gz ZRSIJPVPWWCBQZ-KFWWJZLASA-N 1 2 296.411 1.195 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001035409319 844640714 /nfs/dbraw/zinc/64/07/14/844640714.db2.gz ZRSIJPVPWWCBQZ-KFWWJZLASA-N 1 2 296.411 1.195 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCCO[C@@H]2CC)C1 ZINC001030419924 844808724 /nfs/dbraw/zinc/80/87/24/844808724.db2.gz CSMFJSDHYSOOMQ-UONOGXRCSA-N 1 2 266.385 1.568 20 30 CDEDLO Cc1cc(NC[C@H]2COCC[N@H+]2C)nc(C)c1C#N ZINC000700199050 1167444451 /nfs/dbraw/zinc/44/44/51/1167444451.db2.gz OAASSMXCTBEUFD-LBPRGKRZSA-N 1 2 260.341 1.313 20 30 CDEDLO Cc1cc(NC[C@H]2COCC[N@@H+]2C)nc(C)c1C#N ZINC000700199050 1167444454 /nfs/dbraw/zinc/44/44/54/1167444454.db2.gz OAASSMXCTBEUFD-LBPRGKRZSA-N 1 2 260.341 1.313 20 30 CDEDLO C=C(Br)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844132766 844241243 /nfs/dbraw/zinc/24/12/43/844241243.db2.gz KGYKCQXMCQUPDL-SECBINFHSA-N 1 2 284.157 1.470 20 30 CDEDLO Cc1nc(N[C@@H]2CCN(C(=O)C#CC3CC3)C[C@H]2C)cc[nH+]1 ZINC001063733892 844303478 /nfs/dbraw/zinc/30/34/78/844303478.db2.gz DRXDTJTXZNLHHV-IUODEOHRSA-N 1 2 298.390 1.847 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001007580171 844329313 /nfs/dbraw/zinc/32/93/13/844329313.db2.gz CLNSNHAYAHNCDP-SNVBAGLBSA-N 1 2 296.758 1.129 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001007580171 844329322 /nfs/dbraw/zinc/32/93/22/844329322.db2.gz CLNSNHAYAHNCDP-SNVBAGLBSA-N 1 2 296.758 1.129 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)cc(C)c2)C1 ZINC001035586013 844331612 /nfs/dbraw/zinc/33/16/12/844331612.db2.gz DJLWGWQVUBULPV-INIZCTEOSA-N 1 2 288.391 1.920 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)cc(C)c2)C1 ZINC001035586013 844331621 /nfs/dbraw/zinc/33/16/21/844331621.db2.gz DJLWGWQVUBULPV-INIZCTEOSA-N 1 2 288.391 1.920 20 30 CDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2CC2)CC1 ZINC001004312035 844346165 /nfs/dbraw/zinc/34/61/65/844346165.db2.gz NZJJDJUQZPWBEG-AWEZNQCLSA-N 1 2 261.369 1.623 20 30 CDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2CC2)CC1 ZINC001004312035 844346184 /nfs/dbraw/zinc/34/61/84/844346184.db2.gz NZJJDJUQZPWBEG-AWEZNQCLSA-N 1 2 261.369 1.623 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001038540708 844351971 /nfs/dbraw/zinc/35/19/71/844351971.db2.gz ACNHGKPHKVKATD-XYJFISCASA-N 1 2 282.387 1.788 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001038540708 844351985 /nfs/dbraw/zinc/35/19/85/844351985.db2.gz ACNHGKPHKVKATD-XYJFISCASA-N 1 2 282.387 1.788 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ncc[nH]2)C1 ZINC001033828321 844358861 /nfs/dbraw/zinc/35/88/61/844358861.db2.gz CGTRMCLXGIJPBF-LLVKDONJSA-N 1 2 282.775 1.699 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ncc[nH]2)C1 ZINC001033828321 844358871 /nfs/dbraw/zinc/35/88/71/844358871.db2.gz CGTRMCLXGIJPBF-LLVKDONJSA-N 1 2 282.775 1.699 20 30 CDEDLO CCN(CCC#N)C(=O)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845279160 844382718 /nfs/dbraw/zinc/38/27/18/844382718.db2.gz ABECRAMKYWDFSD-GFCCVEGCSA-N 1 2 292.339 1.140 20 30 CDEDLO COC(=O)/C=C(/C)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000929461230 844410196 /nfs/dbraw/zinc/41/01/96/844410196.db2.gz YMZDKVHXMILLLW-KAMYIIQDSA-N 1 2 299.374 1.800 20 30 CDEDLO N#CCc1ccccc1CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857944766 844417715 /nfs/dbraw/zinc/41/77/15/844417715.db2.gz MVOYZPLMNOZFCW-HNNXBMFYSA-N 1 2 294.358 1.623 20 30 CDEDLO C#CCCOC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000859135805 844456996 /nfs/dbraw/zinc/45/69/96/844456996.db2.gz NWIYIQVHEAEZIA-LBPRGKRZSA-N 1 2 261.325 1.759 20 30 CDEDLO CO[C@@H]1CC[N@H+](Cn2ccc(C)c(C#N)c2=O)CC1(C)C ZINC000840123424 844503373 /nfs/dbraw/zinc/50/33/73/844503373.db2.gz HTUKYMNKCNVMME-CQSZACIVSA-N 1 2 289.379 1.733 20 30 CDEDLO CO[C@@H]1CC[N@@H+](Cn2ccc(C)c(C#N)c2=O)CC1(C)C ZINC000840123424 844503381 /nfs/dbraw/zinc/50/33/81/844503381.db2.gz HTUKYMNKCNVMME-CQSZACIVSA-N 1 2 289.379 1.733 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2c(C)ncn2C)C1 ZINC001046395334 844552091 /nfs/dbraw/zinc/55/20/91/844552091.db2.gz CTAVNDHWVKCXCJ-AWEZNQCLSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2c(C)ncn2C)C1 ZINC001046395334 844552099 /nfs/dbraw/zinc/55/20/99/844552099.db2.gz CTAVNDHWVKCXCJ-AWEZNQCLSA-N 1 2 296.802 1.675 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001035393767 844572412 /nfs/dbraw/zinc/57/24/12/844572412.db2.gz FMBTYLNNAUYSMG-VXGBXAGGSA-N 1 2 288.338 1.425 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001035393767 844572424 /nfs/dbraw/zinc/57/24/24/844572424.db2.gz FMBTYLNNAUYSMG-VXGBXAGGSA-N 1 2 288.338 1.425 20 30 CDEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ncc[nH]1)CC2 ZINC001035703272 844596183 /nfs/dbraw/zinc/59/61/83/844596183.db2.gz GXNURCWITXYWRD-UHFFFAOYSA-N 1 2 294.786 1.700 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cn[nH]c2)C1 ZINC001033758953 844602963 /nfs/dbraw/zinc/60/29/63/844602963.db2.gz KFWVAMZUOTZWAH-GFCCVEGCSA-N 1 2 282.775 1.699 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cn[nH]c2)C1 ZINC001033758953 844602966 /nfs/dbraw/zinc/60/29/66/844602966.db2.gz KFWVAMZUOTZWAH-GFCCVEGCSA-N 1 2 282.775 1.699 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1(C)CC=CC1)CCO2 ZINC001053410046 844609765 /nfs/dbraw/zinc/60/97/65/844609765.db2.gz JGUKRJZVDOPWBN-UHFFFAOYSA-N 1 2 290.407 1.832 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](C[C@@H](O)COCc2ccccc2F)C1 ZINC000932163454 844620276 /nfs/dbraw/zinc/62/02/76/844620276.db2.gz URRMFRRHCYIVPX-UKRRQHHQSA-N 1 2 292.354 1.939 20 30 CDEDLO N#C[C@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2F)C1 ZINC000932163454 844620290 /nfs/dbraw/zinc/62/02/90/844620290.db2.gz URRMFRRHCYIVPX-UKRRQHHQSA-N 1 2 292.354 1.939 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C2CC2)n1 ZINC001032669436 843013425 /nfs/dbraw/zinc/01/34/25/843013425.db2.gz MFILBONYMHHSSA-RYUDHWBXSA-N 1 2 273.336 1.637 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C2CC2)n1 ZINC001032669436 843013431 /nfs/dbraw/zinc/01/34/31/843013431.db2.gz MFILBONYMHHSSA-RYUDHWBXSA-N 1 2 273.336 1.637 20 30 CDEDLO Cc1cncc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](C)C#N)c1 ZINC001017422884 843026578 /nfs/dbraw/zinc/02/65/78/843026578.db2.gz PAHSPIXQUZKPOP-CWRNSKLLSA-N 1 2 298.390 1.725 20 30 CDEDLO Cc1cncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](C)C#N)c1 ZINC001017422884 843026592 /nfs/dbraw/zinc/02/65/92/843026592.db2.gz PAHSPIXQUZKPOP-CWRNSKLLSA-N 1 2 298.390 1.725 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2sccc2OC)C1 ZINC000923579347 843060263 /nfs/dbraw/zinc/06/02/63/843060263.db2.gz RCJNIWFDCSVLAJ-NSHDSACASA-N 1 2 278.377 1.584 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2OC)C1 ZINC000923579347 843060270 /nfs/dbraw/zinc/06/02/70/843060270.db2.gz RCJNIWFDCSVLAJ-NSHDSACASA-N 1 2 278.377 1.584 20 30 CDEDLO C=C(C)CNC(=S)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000795131751 843060862 /nfs/dbraw/zinc/06/08/62/843060862.db2.gz OWFXAZSVBAIBAB-STQMWFEESA-N 1 2 283.441 1.232 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CF)CCOCC1 ZINC001017947580 843060904 /nfs/dbraw/zinc/06/09/04/843060904.db2.gz ZSBLQJJJHHQABE-OKILXGFUSA-N 1 2 294.370 1.061 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CF)CCOCC1 ZINC001017947580 843060918 /nfs/dbraw/zinc/06/09/18/843060918.db2.gz ZSBLQJJJHHQABE-OKILXGFUSA-N 1 2 294.370 1.061 20 30 CDEDLO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001027420076 843063471 /nfs/dbraw/zinc/06/34/71/843063471.db2.gz QGDWSEWXWLUOFA-VHSXEESVSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CC[N@H+](C)[C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001027420076 843063485 /nfs/dbraw/zinc/06/34/85/843063485.db2.gz QGDWSEWXWLUOFA-VHSXEESVSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001027420076 843063499 /nfs/dbraw/zinc/06/34/99/843063499.db2.gz QGDWSEWXWLUOFA-VHSXEESVSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001027420076 843063518 /nfs/dbraw/zinc/06/35/18/843063518.db2.gz QGDWSEWXWLUOFA-VHSXEESVSA-N 1 2 282.281 1.996 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2ncccc2c1 ZINC001032599258 843265903 /nfs/dbraw/zinc/26/59/03/843265903.db2.gz PRENJBWOIYJTJT-HOTGVXAUSA-N 1 2 291.354 1.767 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2ncccc2c1 ZINC001032599258 843265922 /nfs/dbraw/zinc/26/59/22/843265922.db2.gz PRENJBWOIYJTJT-HOTGVXAUSA-N 1 2 291.354 1.767 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c(C)noc2C)C1 ZINC001035281776 843268313 /nfs/dbraw/zinc/26/83/13/843268313.db2.gz DBOYPQZGSYJDCI-ZDUSSCGKSA-N 1 2 293.367 1.298 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2c(C)noc2C)C1 ZINC001035281776 843268321 /nfs/dbraw/zinc/26/83/21/843268321.db2.gz DBOYPQZGSYJDCI-ZDUSSCGKSA-N 1 2 293.367 1.298 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N(C)C3CC(NCC#N)C3)ccn12 ZINC000998769420 843281981 /nfs/dbraw/zinc/28/19/81/843281981.db2.gz LHCHWUXRSFRPAO-UHFFFAOYSA-N 1 2 297.362 1.359 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2coc(C(C)(C)C)n2)CC1 ZINC000874263587 843331601 /nfs/dbraw/zinc/33/16/01/843331601.db2.gz JWORUGRJTVIJBE-UHFFFAOYSA-N 1 2 289.379 1.753 20 30 CDEDLO C[N@H+](CCOc1cccc(C#N)c1)[C@@H]1CC(C)(C)OC1=O ZINC000795685773 843336277 /nfs/dbraw/zinc/33/62/77/843336277.db2.gz RTXGKBFIRWWSKD-CQSZACIVSA-N 1 2 288.347 1.963 20 30 CDEDLO C[N@@H+](CCOc1cccc(C#N)c1)[C@@H]1CC(C)(C)OC1=O ZINC000795685773 843336291 /nfs/dbraw/zinc/33/62/91/843336291.db2.gz RTXGKBFIRWWSKD-CQSZACIVSA-N 1 2 288.347 1.963 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2c(C)cnn2C)C1 ZINC001031908859 843368094 /nfs/dbraw/zinc/36/80/94/843368094.db2.gz PHGUCCUBLDFWFO-UHFFFAOYSA-N 1 2 282.775 1.143 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H](C)CO1 ZINC001017753950 843369795 /nfs/dbraw/zinc/36/97/95/843369795.db2.gz SJYHZPBECREOKG-KBXIAJHMSA-N 1 2 276.380 1.110 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H](C)CO1 ZINC001017753950 843369806 /nfs/dbraw/zinc/36/98/06/843369806.db2.gz SJYHZPBECREOKG-KBXIAJHMSA-N 1 2 276.380 1.110 20 30 CDEDLO C=C(C)CONC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000845595410 843397131 /nfs/dbraw/zinc/39/71/31/843397131.db2.gz HDNLHWBWHJAVIR-UHFFFAOYSA-N 1 2 264.329 1.806 20 30 CDEDLO C[C@@H](C#N)OCC[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000801935499 843412597 /nfs/dbraw/zinc/41/25/97/843412597.db2.gz GCBXXBUEYHNQBF-QWRGUYRKSA-N 1 2 279.306 1.483 20 30 CDEDLO C[C@@H](C#N)OCC[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000801935499 843412606 /nfs/dbraw/zinc/41/26/06/843412606.db2.gz GCBXXBUEYHNQBF-QWRGUYRKSA-N 1 2 279.306 1.483 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2CC[C@H](C)O2)C1 ZINC001043745189 843412794 /nfs/dbraw/zinc/41/27/94/843412794.db2.gz QECWCLNUZRZLNR-AAEUAGOBSA-N 1 2 252.358 1.273 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[C@H]1CCC2 ZINC001017752382 843446982 /nfs/dbraw/zinc/44/69/82/843446982.db2.gz XSENQLZKAGRQNB-PNBKFKSVSA-N 1 2 272.392 1.875 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[C@H]1CCC2 ZINC001017752382 843446987 /nfs/dbraw/zinc/44/69/87/843446987.db2.gz XSENQLZKAGRQNB-PNBKFKSVSA-N 1 2 272.392 1.875 20 30 CDEDLO N#Cc1ncn(CC[NH2+]Cc2cc(Cl)cc(F)c2O)n1 ZINC000809706877 843450993 /nfs/dbraw/zinc/45/09/93/843450993.db2.gz MVFZXLSWELOBTC-UHFFFAOYSA-N 1 2 295.705 1.438 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cnon2)C1 ZINC001034454649 843484991 /nfs/dbraw/zinc/48/49/91/843484991.db2.gz MTOGEBMFKZOZQS-JTQLQIEISA-N 1 2 284.747 1.406 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cnon2)C1 ZINC001034454649 843485000 /nfs/dbraw/zinc/48/50/00/843485000.db2.gz MTOGEBMFKZOZQS-JTQLQIEISA-N 1 2 284.747 1.406 20 30 CDEDLO C[C@@]1(C2CC2)NC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853525642 843487049 /nfs/dbraw/zinc/48/70/49/843487049.db2.gz HUWGCCOZVXBZRY-ABAIWWIYSA-N 1 2 290.367 1.290 20 30 CDEDLO C[C@@]1(C2CC2)NC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853525642 843487058 /nfs/dbraw/zinc/48/70/58/843487058.db2.gz HUWGCCOZVXBZRY-ABAIWWIYSA-N 1 2 290.367 1.290 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2COc3ccccc3O2)C1 ZINC001031348053 843525684 /nfs/dbraw/zinc/52/56/84/843525684.db2.gz WFSZNRSJINUENW-OAHLLOKOSA-N 1 2 288.347 1.203 20 30 CDEDLO C#Cc1cccc(CNC(=O)N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000836240306 843614333 /nfs/dbraw/zinc/61/43/33/843614333.db2.gz DKYNUYFMYGTMHN-ZDUSSCGKSA-N 1 2 282.347 1.752 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccncc1CC ZINC001038429384 843667730 /nfs/dbraw/zinc/66/77/30/843667730.db2.gz OASBXETZUDJNKA-ZDUSSCGKSA-N 1 2 257.337 1.081 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccncc1CC ZINC001038429384 843667775 /nfs/dbraw/zinc/66/77/75/843667775.db2.gz OASBXETZUDJNKA-ZDUSSCGKSA-N 1 2 257.337 1.081 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2n[nH]cc2C)C1 ZINC001046307805 843820769 /nfs/dbraw/zinc/82/07/69/843820769.db2.gz FQVSQKCIVGWRAL-CYBMUJFWSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2n[nH]cc2C)C1 ZINC001046307805 843820771 /nfs/dbraw/zinc/82/07/71/843820771.db2.gz FQVSQKCIVGWRAL-CYBMUJFWSA-N 1 2 282.775 1.665 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](C)O1 ZINC001017974698 843841409 /nfs/dbraw/zinc/84/14/09/843841409.db2.gz DNGICTSSGTXBRL-APIJFGDWSA-N 1 2 276.380 1.252 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](C)O1 ZINC001017974698 843841415 /nfs/dbraw/zinc/84/14/15/843841415.db2.gz DNGICTSSGTXBRL-APIJFGDWSA-N 1 2 276.380 1.252 20 30 CDEDLO N#CCC1C[NH+](C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000849327887 843868058 /nfs/dbraw/zinc/86/80/58/843868058.db2.gz WQUCZTKYSASDTL-CYBMUJFWSA-N 1 2 252.264 1.844 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C)nc2)C1 ZINC001010176758 843869113 /nfs/dbraw/zinc/86/91/13/843869113.db2.gz IWKBSKCJSIOJLJ-CYBMUJFWSA-N 1 2 279.771 1.947 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)nc2)C1 ZINC001010176758 843869115 /nfs/dbraw/zinc/86/91/15/843869115.db2.gz IWKBSKCJSIOJLJ-CYBMUJFWSA-N 1 2 279.771 1.947 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[C@H]1CCC[C@@H](C)C1 ZINC000884134629 843869939 /nfs/dbraw/zinc/86/99/39/843869939.db2.gz NIVCYOJDKFMURZ-MCIONIFRSA-N 1 2 296.411 1.766 20 30 CDEDLO COC[C@H]1COCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000933333602 843888154 /nfs/dbraw/zinc/88/81/54/843888154.db2.gz BKDWYURKXRFFOG-AWEZNQCLSA-N 1 2 276.336 1.284 20 30 CDEDLO COC[C@H]1COCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000933333602 843888155 /nfs/dbraw/zinc/88/81/55/843888155.db2.gz BKDWYURKXRFFOG-AWEZNQCLSA-N 1 2 276.336 1.284 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(F)c2F)C1 ZINC001035489385 843889371 /nfs/dbraw/zinc/88/93/71/843889371.db2.gz ZOWSDQLOLHQNQQ-NSHDSACASA-N 1 2 296.317 1.581 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cccc(F)c2F)C1 ZINC001035489385 843889372 /nfs/dbraw/zinc/88/93/72/843889372.db2.gz ZOWSDQLOLHQNQQ-NSHDSACASA-N 1 2 296.317 1.581 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)OCCc1c[nH+]cn1C ZINC000835324189 843911270 /nfs/dbraw/zinc/91/12/70/843911270.db2.gz QTIGHUCVNPMBMO-UHFFFAOYSA-N 1 2 258.281 1.328 20 30 CDEDLO C#CCOCCO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000853657251 843953363 /nfs/dbraw/zinc/95/33/63/843953363.db2.gz QFDAMRHKWGXBAX-UHFFFAOYSA-N 1 2 250.273 1.421 20 30 CDEDLO CC[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1NCC#N ZINC001037965108 844647859 /nfs/dbraw/zinc/64/78/59/844647859.db2.gz CGBGNQZJLSMKDV-QWHCGFSZSA-N 1 2 289.383 1.001 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2Cc3cccc(F)c3O2)C1 ZINC001031412981 844698015 /nfs/dbraw/zinc/69/80/15/844698015.db2.gz MQAWJKBSQRINNI-AWEZNQCLSA-N 1 2 290.338 1.506 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(C)C)nn1C ZINC001032710571 844758973 /nfs/dbraw/zinc/75/89/73/844758973.db2.gz HBPPCKPFCHSYQU-STQMWFEESA-N 1 2 286.379 1.075 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(C)C)nn1C ZINC001032710571 844758976 /nfs/dbraw/zinc/75/89/76/844758976.db2.gz HBPPCKPFCHSYQU-STQMWFEESA-N 1 2 286.379 1.075 20 30 CDEDLO C[C@H]1CCN(CC#N)C[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000967359976 844762423 /nfs/dbraw/zinc/76/24/23/844762423.db2.gz ZGIKVVTWYFMZQO-STQMWFEESA-N 1 2 297.362 1.298 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2cccnc2n1 ZINC001038275478 844788654 /nfs/dbraw/zinc/78/86/54/844788654.db2.gz ILVXTJJTDWLVFW-ZDUSSCGKSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2cccnc2n1 ZINC001038275478 844788662 /nfs/dbraw/zinc/78/86/62/844788662.db2.gz ILVXTJJTDWLVFW-ZDUSSCGKSA-N 1 2 280.331 1.067 20 30 CDEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccnc1 ZINC001032398247 844815860 /nfs/dbraw/zinc/81/58/60/844815860.db2.gz WNZCEYBYCUUFCF-HOTGVXAUSA-N 1 2 281.359 1.280 20 30 CDEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccnc1 ZINC001032398247 844815865 /nfs/dbraw/zinc/81/58/65/844815865.db2.gz WNZCEYBYCUUFCF-HOTGVXAUSA-N 1 2 281.359 1.280 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnccc2C(F)(F)F)C1 ZINC001031014637 844820413 /nfs/dbraw/zinc/82/04/13/844820413.db2.gz MUZQKGOVHVMMRV-UHFFFAOYSA-N 1 2 297.280 1.538 20 30 CDEDLO N#CCOc1ccccc1C(=O)NCCCn1cc[nH+]c1 ZINC000193865606 844837220 /nfs/dbraw/zinc/83/72/20/844837220.db2.gz XGQIBLCEUHKSDF-UHFFFAOYSA-N 1 2 284.319 1.606 20 30 CDEDLO C[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853525647 844842190 /nfs/dbraw/zinc/84/21/90/844842190.db2.gz HUWGCCOZVXBZRY-IAQYHMDHSA-N 1 2 290.367 1.290 20 30 CDEDLO C[C@]1(C2CC2)NC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853525647 844842194 /nfs/dbraw/zinc/84/21/94/844842194.db2.gz HUWGCCOZVXBZRY-IAQYHMDHSA-N 1 2 290.367 1.290 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N(C)C)cc1 ZINC001032751045 844845531 /nfs/dbraw/zinc/84/55/31/844845531.db2.gz IWOYTQYHMCTRGW-HOTGVXAUSA-N 1 2 283.375 1.285 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N(C)C)cc1 ZINC001032751045 844845533 /nfs/dbraw/zinc/84/55/33/844845533.db2.gz IWOYTQYHMCTRGW-HOTGVXAUSA-N 1 2 283.375 1.285 20 30 CDEDLO C=C(C)C[N@H+](C)Cn1cc(C)n(-c2cc(C)on2)c1=O ZINC000182624418 844887942 /nfs/dbraw/zinc/88/79/42/844887942.db2.gz CIRFYTBBOQOJCR-UHFFFAOYSA-N 1 2 276.340 1.709 20 30 CDEDLO C=C(C)C[N@@H+](C)Cn1cc(C)n(-c2cc(C)on2)c1=O ZINC000182624418 844887949 /nfs/dbraw/zinc/88/79/49/844887949.db2.gz CIRFYTBBOQOJCR-UHFFFAOYSA-N 1 2 276.340 1.709 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn2ccc(C)cc2n1 ZINC001038468795 844899130 /nfs/dbraw/zinc/89/91/30/844899130.db2.gz KLYUKMKOOQPGLF-CQSZACIVSA-N 1 2 296.374 1.470 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn2ccc(C)cc2n1 ZINC001038468795 844899133 /nfs/dbraw/zinc/89/91/33/844899133.db2.gz KLYUKMKOOQPGLF-CQSZACIVSA-N 1 2 296.374 1.470 20 30 CDEDLO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)CC1(C#N)CC1 ZINC000825958251 844930250 /nfs/dbraw/zinc/93/02/50/844930250.db2.gz OYPFDDPLXUVPHV-UHFFFAOYSA-N 1 2 268.324 1.602 20 30 CDEDLO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)CC1(C#N)CC1 ZINC000825958251 844930255 /nfs/dbraw/zinc/93/02/55/844930255.db2.gz OYPFDDPLXUVPHV-UHFFFAOYSA-N 1 2 268.324 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001034198022 844950359 /nfs/dbraw/zinc/95/03/59/844950359.db2.gz PNQBWQJLWSSXTI-NSHDSACASA-N 1 2 282.775 1.747 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001034198022 844950365 /nfs/dbraw/zinc/95/03/65/844950365.db2.gz PNQBWQJLWSSXTI-NSHDSACASA-N 1 2 282.775 1.747 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccoc1CC ZINC001050904415 844974016 /nfs/dbraw/zinc/97/40/16/844974016.db2.gz DDAODWZCCCHRCS-CYBMUJFWSA-N 1 2 292.379 1.849 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccoc1CC ZINC001050904415 844974024 /nfs/dbraw/zinc/97/40/24/844974024.db2.gz DDAODWZCCCHRCS-CYBMUJFWSA-N 1 2 292.379 1.849 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC2(C)C)C1 ZINC001010647056 844989760 /nfs/dbraw/zinc/98/97/60/844989760.db2.gz YMDPELZDBMAUTO-MNOVXSKESA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC2(C)C)C1 ZINC001010647056 844989767 /nfs/dbraw/zinc/98/97/67/844989767.db2.gz YMDPELZDBMAUTO-MNOVXSKESA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)C1 ZINC001031484313 844997494 /nfs/dbraw/zinc/99/74/94/844997494.db2.gz UYGXGZWUMHWNOW-LRDDRELGSA-N 1 2 286.375 1.928 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccccc1 ZINC001018212067 845012246 /nfs/dbraw/zinc/01/22/46/845012246.db2.gz QFHWYFYDYFDTDB-IYBDPMFKSA-N 1 2 298.386 1.764 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccccc1 ZINC001018212067 845012255 /nfs/dbraw/zinc/01/22/55/845012255.db2.gz QFHWYFYDYFDTDB-IYBDPMFKSA-N 1 2 298.386 1.764 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnn1[C@H](C)CC ZINC001038306718 845043829 /nfs/dbraw/zinc/04/38/29/845043829.db2.gz BHVMSZOMODTFRP-CHWSQXEVSA-N 1 2 274.368 1.291 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnn1[C@H](C)CC ZINC001038306718 845043839 /nfs/dbraw/zinc/04/38/39/845043839.db2.gz BHVMSZOMODTFRP-CHWSQXEVSA-N 1 2 274.368 1.291 20 30 CDEDLO C#CCO[C@H](C)C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874888619 845045847 /nfs/dbraw/zinc/04/58/47/845045847.db2.gz FSGIJBAZJNSZHR-DOMZBBRYSA-N 1 2 290.338 1.337 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001038535389 845091346 /nfs/dbraw/zinc/09/13/46/845091346.db2.gz BCQRVOIUNLIRDL-LJISPDSOSA-N 1 2 260.381 1.636 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001038535389 845091354 /nfs/dbraw/zinc/09/13/54/845091354.db2.gz BCQRVOIUNLIRDL-LJISPDSOSA-N 1 2 260.381 1.636 20 30 CDEDLO C#CC[C@@H](CCOC)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000860850549 845158344 /nfs/dbraw/zinc/15/83/44/845158344.db2.gz GUUJBTXVGXOGPO-ZDUSSCGKSA-N 1 2 275.352 1.670 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCc3cc(OC)ccc32)C1 ZINC001030409149 845165015 /nfs/dbraw/zinc/16/50/15/845165015.db2.gz WPSQCAVHIVJDGN-QGZVFWFLSA-N 1 2 298.386 1.549 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(C)s1 ZINC001038101225 845167866 /nfs/dbraw/zinc/16/78/66/845167866.db2.gz YVDYDPSMDYQCFG-JTQLQIEISA-N 1 2 251.355 1.442 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(C)s1 ZINC001038101225 845167872 /nfs/dbraw/zinc/16/78/72/845167872.db2.gz YVDYDPSMDYQCFG-JTQLQIEISA-N 1 2 251.355 1.442 20 30 CDEDLO Cn1nccc1[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCO1 ZINC000933538234 845172011 /nfs/dbraw/zinc/17/20/11/845172011.db2.gz COBQGDCUOVOMMQ-BZPMIXESSA-N 1 2 260.341 1.486 20 30 CDEDLO Cn1nccc1[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CCO1 ZINC000933538234 845172022 /nfs/dbraw/zinc/17/20/22/845172022.db2.gz COBQGDCUOVOMMQ-BZPMIXESSA-N 1 2 260.341 1.486 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1conc1C ZINC001017870739 845192819 /nfs/dbraw/zinc/19/28/19/845192819.db2.gz LLZUDGMRDWNENX-TXEJJXNPSA-N 1 2 261.325 1.458 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1conc1C ZINC001017870739 845192825 /nfs/dbraw/zinc/19/28/25/845192825.db2.gz LLZUDGMRDWNENX-TXEJJXNPSA-N 1 2 261.325 1.458 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1coc(CC2CC2)n1 ZINC001038871603 845280055 /nfs/dbraw/zinc/28/00/55/845280055.db2.gz XUQLCWKRYYCWGQ-LBPRGKRZSA-N 1 2 273.336 1.064 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(CC2CC2)n1 ZINC001038871603 845280069 /nfs/dbraw/zinc/28/00/69/845280069.db2.gz XUQLCWKRYYCWGQ-LBPRGKRZSA-N 1 2 273.336 1.064 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933326091 845304936 /nfs/dbraw/zinc/30/49/36/845304936.db2.gz GBCWZYRKYUBETF-HUUCEWRRSA-N 1 2 274.364 1.487 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933326091 845304942 /nfs/dbraw/zinc/30/49/42/845304942.db2.gz GBCWZYRKYUBETF-HUUCEWRRSA-N 1 2 274.364 1.487 20 30 CDEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@](CCC)(C2CC2)C1=O ZINC000802738511 845332669 /nfs/dbraw/zinc/33/26/69/845332669.db2.gz SGIODWPWTUGUOS-OAHLLOKOSA-N 1 2 279.384 1.953 20 30 CDEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@](CCC)(C2CC2)C1=O ZINC000802738511 845332679 /nfs/dbraw/zinc/33/26/79/845332679.db2.gz SGIODWPWTUGUOS-OAHLLOKOSA-N 1 2 279.384 1.953 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC(C)(C)c1ccccc1 ZINC000884071258 845351603 /nfs/dbraw/zinc/35/16/03/845351603.db2.gz NTNLFWLODXEYCE-ZDUSSCGKSA-N 1 2 290.363 1.485 20 30 CDEDLO NC(CCO)=[NH+]OCc1cc(F)ccc1Br ZINC000136069302 845376312 /nfs/dbraw/zinc/37/63/12/845376312.db2.gz BGVBOXHUCAGIOQ-UHFFFAOYSA-N 1 2 291.120 1.759 20 30 CDEDLO CC(N=Nc1ccc(Cl)nn1)c1ccc(N)[nH+]c1 ZINC000814697772 845407541 /nfs/dbraw/zinc/40/75/41/845407541.db2.gz BRVMWVUDIMJHEP-UHFFFAOYSA-N 1 2 262.704 1.943 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c(Cl)n[nH]c2C2CC2)C1 ZINC001030425748 845447149 /nfs/dbraw/zinc/44/71/49/845447149.db2.gz ONLJDMCCRZARRG-UHFFFAOYSA-N 1 2 292.770 1.378 20 30 CDEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ccn[nH]1 ZINC001010285756 845453511 /nfs/dbraw/zinc/45/35/11/845453511.db2.gz IFAJMQPOUPEIOI-HNNXBMFYSA-N 1 2 294.358 1.266 20 30 CDEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ccn[nH]1 ZINC001010285756 845453516 /nfs/dbraw/zinc/45/35/16/845453516.db2.gz IFAJMQPOUPEIOI-HNNXBMFYSA-N 1 2 294.358 1.266 20 30 CDEDLO C#CCOc1ccccc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000819472995 845469114 /nfs/dbraw/zinc/46/91/14/845469114.db2.gz FDWKNMLXVFEYCW-AWEZNQCLSA-N 1 2 287.363 1.317 20 30 CDEDLO C#CCOc1ccccc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000819472995 845469120 /nfs/dbraw/zinc/46/91/20/845469120.db2.gz FDWKNMLXVFEYCW-AWEZNQCLSA-N 1 2 287.363 1.317 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC001042725564 845497747 /nfs/dbraw/zinc/49/77/47/845497747.db2.gz WJYPQHDBNBXCGD-LBPRGKRZSA-N 1 2 274.368 1.158 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](Cc2noc3c2COCC3)C1 ZINC000930922974 845524548 /nfs/dbraw/zinc/52/45/48/845524548.db2.gz MQRJXBHFAUAMNR-LLVKDONJSA-N 1 2 261.325 1.873 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](Cc2noc3c2COCC3)C1 ZINC000930922974 845524553 /nfs/dbraw/zinc/52/45/53/845524553.db2.gz MQRJXBHFAUAMNR-LLVKDONJSA-N 1 2 261.325 1.873 20 30 CDEDLO C=C(C)C[N@H+](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000985675481 845588938 /nfs/dbraw/zinc/58/89/38/845588938.db2.gz VCADJQBKSWKOBY-UHFFFAOYSA-N 1 2 276.384 1.451 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(Cl)c1F ZINC001038654966 845606347 /nfs/dbraw/zinc/60/63/47/845606347.db2.gz SOXSCOFFASHKNP-SNVBAGLBSA-N 1 2 280.730 1.916 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(Cl)c1F ZINC001038654966 845606349 /nfs/dbraw/zinc/60/63/49/845606349.db2.gz SOXSCOFFASHKNP-SNVBAGLBSA-N 1 2 280.730 1.916 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(Cl)n[nH]c1C1CC1 ZINC001038341341 845617339 /nfs/dbraw/zinc/61/73/39/845617339.db2.gz ULOZUXBCZOXRCF-SNVBAGLBSA-N 1 2 292.770 1.378 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(Cl)n[nH]c1C1CC1 ZINC001038341341 845617345 /nfs/dbraw/zinc/61/73/45/845617345.db2.gz ULOZUXBCZOXRCF-SNVBAGLBSA-N 1 2 292.770 1.378 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cn3ccc(C)cc3n2)C1 ZINC001030624935 845687739 /nfs/dbraw/zinc/68/77/39/845687739.db2.gz CAPKJWZSISTUSB-UHFFFAOYSA-N 1 2 284.363 1.633 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC(C)(C)C1 ZINC000884093962 845723189 /nfs/dbraw/zinc/72/31/89/845723189.db2.gz XZIGIXIKSBJLIV-NSHDSACASA-N 1 2 268.357 1.082 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2)C1 ZINC001035268934 845749574 /nfs/dbraw/zinc/74/95/74/845749574.db2.gz VLCYVKXSFKLUPW-OAHLLOKOSA-N 1 2 274.364 1.693 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccccc2)C1 ZINC001035268934 845749587 /nfs/dbraw/zinc/74/95/87/845749587.db2.gz VLCYVKXSFKLUPW-OAHLLOKOSA-N 1 2 274.364 1.693 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(C#C)cc2)C1 ZINC001043506067 845789566 /nfs/dbraw/zinc/78/95/66/845789566.db2.gz NJKRDWDAQKLLOU-UHFFFAOYSA-N 1 2 266.344 1.447 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC000923574188 845799782 /nfs/dbraw/zinc/79/97/82/845799782.db2.gz FSDATGLQCCRFHG-GFCCVEGCSA-N 1 2 275.352 1.625 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC000923574188 845799790 /nfs/dbraw/zinc/79/97/90/845799790.db2.gz FSDATGLQCCRFHG-GFCCVEGCSA-N 1 2 275.352 1.625 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccc(C)s1 ZINC001032819116 845889963 /nfs/dbraw/zinc/88/99/63/845889963.db2.gz JMYBABGCTQFPRP-KBPBESRZSA-N 1 2 288.416 1.907 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccc(C)s1 ZINC001032819116 845889965 /nfs/dbraw/zinc/88/99/65/845889965.db2.gz JMYBABGCTQFPRP-KBPBESRZSA-N 1 2 288.416 1.907 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2sccc2OC)CC1 ZINC000989523588 845907370 /nfs/dbraw/zinc/90/73/70/845907370.db2.gz NBRAUWSEKRLQJC-UHFFFAOYSA-N 1 2 292.404 1.928 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2sccc2OC)CC1 ZINC000989523588 845907375 /nfs/dbraw/zinc/90/73/75/845907375.db2.gz NBRAUWSEKRLQJC-UHFFFAOYSA-N 1 2 292.404 1.928 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)C[C@H]2C)C1 ZINC000923567553 845911431 /nfs/dbraw/zinc/91/14/31/845911431.db2.gz UOXTVEQAFYWLGP-IPYPFGDCSA-N 1 2 276.380 1.206 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)C[C@H]2C)C1 ZINC000923567553 845911434 /nfs/dbraw/zinc/91/14/34/845911434.db2.gz UOXTVEQAFYWLGP-IPYPFGDCSA-N 1 2 276.380 1.206 20 30 CDEDLO NC(Cc1ccccc1Cl)=[NH+]OCC1(CO)COC1 ZINC000305018556 845962280 /nfs/dbraw/zinc/96/22/80/845962280.db2.gz TVIBITGJKIAENV-UHFFFAOYSA-N 1 2 284.743 1.180 20 30 CDEDLO C#C[C@@H](NC(=O)NCc1cc(C)[nH+]c(C)c1)[C@@H]1CCCO1 ZINC000817165423 845971978 /nfs/dbraw/zinc/97/19/78/845971978.db2.gz MFUZEYWXYPFVLY-CABCVRRESA-N 1 2 287.363 1.678 20 30 CDEDLO COC(=O)[C@](C)([NH2+]C[C@@H](O)CC1(C#N)CCC1)C1CC1 ZINC000886099988 846017198 /nfs/dbraw/zinc/01/71/98/846017198.db2.gz BPBLZDKDUGCCFZ-GXTWGEPZSA-N 1 2 280.368 1.363 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC000191488775 846038669 /nfs/dbraw/zinc/03/86/69/846038669.db2.gz BTFVNUGWVISHGY-NSHDSACASA-N 1 2 292.387 1.083 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)C1 ZINC001031483395 846041902 /nfs/dbraw/zinc/04/19/02/846041902.db2.gz BNAVNRVZYTUGQH-WBMJQRKESA-N 1 2 284.359 1.375 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@]34C[C@H]3COC4)cc2C1 ZINC001054265807 846046980 /nfs/dbraw/zinc/04/69/80/846046980.db2.gz ZKOFJZYYOKFTDJ-WMZOPIPTSA-N 1 2 296.370 1.288 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@]34C[C@H]3COC4)cc2C1 ZINC001054265807 846046983 /nfs/dbraw/zinc/04/69/83/846046983.db2.gz ZKOFJZYYOKFTDJ-WMZOPIPTSA-N 1 2 296.370 1.288 20 30 CDEDLO C#C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000185358196 846068617 /nfs/dbraw/zinc/06/86/17/846068617.db2.gz OEFJUNXELNCYBG-SNVBAGLBSA-N 1 2 284.275 1.532 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(=C)CC1 ZINC001032603009 846087801 /nfs/dbraw/zinc/08/78/01/846087801.db2.gz KOVKHCAUZIYCHO-GJZGRUSLSA-N 1 2 258.365 1.651 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(=C)CC1 ZINC001032603009 846087806 /nfs/dbraw/zinc/08/78/06/846087806.db2.gz KOVKHCAUZIYCHO-GJZGRUSLSA-N 1 2 258.365 1.651 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccsc1 ZINC000884141168 846131623 /nfs/dbraw/zinc/13/16/23/846131623.db2.gz RMKNBLTZUUBCRX-VIFPVBQESA-N 1 2 254.311 1.133 20 30 CDEDLO C#Cc1cccnc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000853091227 846157660 /nfs/dbraw/zinc/15/76/60/846157660.db2.gz AZPJVPFKGVMBGV-UHFFFAOYSA-N 1 2 278.359 1.780 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2[nH]nc3c2CCCC3)C1 ZINC001042724172 846179201 /nfs/dbraw/zinc/17/92/01/846179201.db2.gz UEQLADBHOPCDPZ-UHFFFAOYSA-N 1 2 288.395 1.160 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2cc[nH]c2c1 ZINC001017650903 846206721 /nfs/dbraw/zinc/20/67/21/846206721.db2.gz YXIALBGYDQDQMA-OKILXGFUSA-N 1 2 294.358 1.485 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2cc[nH]c2c1 ZINC001017650903 846206738 /nfs/dbraw/zinc/20/67/38/846206738.db2.gz YXIALBGYDQDQMA-OKILXGFUSA-N 1 2 294.358 1.485 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCN(c2ccccc2)C1 ZINC001038407778 846216443 /nfs/dbraw/zinc/21/64/43/846216443.db2.gz ZMGNKYMPXAGVNQ-NVXWUHKLSA-N 1 2 297.402 1.337 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCN(c2ccccc2)C1 ZINC001038407778 846216446 /nfs/dbraw/zinc/21/64/46/846216446.db2.gz ZMGNKYMPXAGVNQ-NVXWUHKLSA-N 1 2 297.402 1.337 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1nc(C)sc1C ZINC001038401684 846217866 /nfs/dbraw/zinc/21/78/66/846217866.db2.gz JQUXAWQLLJWGBO-LLVKDONJSA-N 1 2 263.366 1.197 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc(C)sc1C ZINC001038401684 846217873 /nfs/dbraw/zinc/21/78/73/846217873.db2.gz JQUXAWQLLJWGBO-LLVKDONJSA-N 1 2 263.366 1.197 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(OC)cc1 ZINC001038955033 846229055 /nfs/dbraw/zinc/22/90/55/846229055.db2.gz GKPQLDKABUFIRF-AWEZNQCLSA-N 1 2 272.348 1.523 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OC)cc1 ZINC001038955033 846229065 /nfs/dbraw/zinc/22/90/65/846229065.db2.gz GKPQLDKABUFIRF-AWEZNQCLSA-N 1 2 272.348 1.523 20 30 CDEDLO Cc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C)C#N)o1 ZINC001032318839 846244501 /nfs/dbraw/zinc/24/45/01/846244501.db2.gz ZQYNVZOOZZRBRJ-ICCXJUOJSA-N 1 2 288.351 1.236 20 30 CDEDLO Cc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C)C#N)o1 ZINC001032318839 846244512 /nfs/dbraw/zinc/24/45/12/846244512.db2.gz ZQYNVZOOZZRBRJ-ICCXJUOJSA-N 1 2 288.351 1.236 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cc1nccc(OC)c1OC ZINC000852749420 846260575 /nfs/dbraw/zinc/26/05/75/846260575.db2.gz XQDRKHDTYSHFJP-UHFFFAOYSA-N 1 2 278.352 1.571 20 30 CDEDLO C#CCC[N@H+](CCOC)Cc1nccc(OC)c1OC ZINC000852749420 846260580 /nfs/dbraw/zinc/26/05/80/846260580.db2.gz XQDRKHDTYSHFJP-UHFFFAOYSA-N 1 2 278.352 1.571 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000879588009 846328834 /nfs/dbraw/zinc/32/88/34/846328834.db2.gz INJFSZROQIIFQP-ZDUSSCGKSA-N 1 2 289.354 1.086 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000999900572 846346538 /nfs/dbraw/zinc/34/65/38/846346538.db2.gz QTSYEYRYGGHZDW-LLVKDONJSA-N 1 2 294.424 1.831 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1Cc2cc(C)c(C)cc2O1 ZINC001039047255 846356958 /nfs/dbraw/zinc/35/69/58/846356958.db2.gz OWRSXMIVVVLZJM-DOTOQJQBSA-N 1 2 298.386 1.431 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1Cc2cc(C)c(C)cc2O1 ZINC001039047255 846356966 /nfs/dbraw/zinc/35/69/66/846356966.db2.gz OWRSXMIVVVLZJM-DOTOQJQBSA-N 1 2 298.386 1.431 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2c(C)n[nH]c2C(C)C)CC1 ZINC000989443138 846359058 /nfs/dbraw/zinc/35/90/58/846359058.db2.gz YAZBUUPEADCQJB-UHFFFAOYSA-N 1 2 288.395 1.623 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2c(C)n[nH]c2C(C)C)CC1 ZINC000989443138 846359064 /nfs/dbraw/zinc/35/90/64/846359064.db2.gz YAZBUUPEADCQJB-UHFFFAOYSA-N 1 2 288.395 1.623 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1cc(C(=O)OC)co1)[C@H]1CCCO1 ZINC000775789691 846359271 /nfs/dbraw/zinc/35/92/71/846359271.db2.gz MYKVLEJYLZQTNR-CHWSQXEVSA-N 1 2 263.293 1.337 20 30 CDEDLO CC[C@H](F)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004519155 846363639 /nfs/dbraw/zinc/36/36/39/846363639.db2.gz YZFYMXSELFNWKX-UONOGXRCSA-N 1 2 281.375 1.961 20 30 CDEDLO CC[C@H](F)C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004519155 846363651 /nfs/dbraw/zinc/36/36/51/846363651.db2.gz YZFYMXSELFNWKX-UONOGXRCSA-N 1 2 281.375 1.961 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(OC)o1 ZINC001038840430 846454886 /nfs/dbraw/zinc/45/48/86/846454886.db2.gz JJIZAMABJZWMBA-JTQLQIEISA-N 1 2 250.298 1.278 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OC)o1 ZINC001038840430 846454893 /nfs/dbraw/zinc/45/48/93/846454893.db2.gz JJIZAMABJZWMBA-JTQLQIEISA-N 1 2 250.298 1.278 20 30 CDEDLO C=CC[NH2+][C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001018878497 846503105 /nfs/dbraw/zinc/50/31/05/846503105.db2.gz NROWTEMWAUMJOC-JGVFFNPUSA-N 1 2 254.227 1.263 20 30 CDEDLO C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001018878497 846503120 /nfs/dbraw/zinc/50/31/20/846503120.db2.gz NROWTEMWAUMJOC-JGVFFNPUSA-N 1 2 254.227 1.263 20 30 CDEDLO Cc1cc(C)nc(N=NCc2c[nH+]c3n2CCC3)n1 ZINC000853254304 846512785 /nfs/dbraw/zinc/51/27/85/846512785.db2.gz QMVZNWWTHUGDLX-UHFFFAOYSA-N 1 2 256.313 1.682 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2ccccc2c(=O)o1 ZINC001038300541 846516008 /nfs/dbraw/zinc/51/60/08/846516008.db2.gz MMJBDGZFNBJBBT-CYBMUJFWSA-N 1 2 296.326 1.230 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2ccccc2c(=O)o1 ZINC001038300541 846516009 /nfs/dbraw/zinc/51/60/09/846516009.db2.gz MMJBDGZFNBJBBT-CYBMUJFWSA-N 1 2 296.326 1.230 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2cc[nH]c2n1 ZINC001038385535 846524347 /nfs/dbraw/zinc/52/43/47/846524347.db2.gz OCKVWZNLOFBJEX-CYBMUJFWSA-N 1 2 282.347 1.390 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2cc[nH]c2n1 ZINC001038385535 846524353 /nfs/dbraw/zinc/52/43/53/846524353.db2.gz OCKVWZNLOFBJEX-CYBMUJFWSA-N 1 2 282.347 1.390 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)C[C@@](C)(O)C(F)F)n1 ZINC000886176378 846533354 /nfs/dbraw/zinc/53/33/54/846533354.db2.gz AKMRYXRFPPWTBR-CYBMUJFWSA-N 1 2 271.311 1.354 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)C[C@@](C)(O)C(F)F)n1 ZINC000886176378 846533365 /nfs/dbraw/zinc/53/33/65/846533365.db2.gz AKMRYXRFPPWTBR-CYBMUJFWSA-N 1 2 271.311 1.354 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnnc(C)c2)C1 ZINC001046273655 846537240 /nfs/dbraw/zinc/53/72/40/846537240.db2.gz XPOUKEZNNZBGKV-AWEZNQCLSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnnc(C)c2)C1 ZINC001046273655 846537246 /nfs/dbraw/zinc/53/72/46/846537246.db2.gz XPOUKEZNNZBGKV-AWEZNQCLSA-N 1 2 294.786 1.732 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)CC2CCC(OC)CC2)C1 ZINC001031488300 846598323 /nfs/dbraw/zinc/59/83/23/846598323.db2.gz JRSIJUVILGXGSR-UHFFFAOYSA-N 1 2 266.385 1.568 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(COC)on1 ZINC001018038015 846604323 /nfs/dbraw/zinc/60/43/23/846604323.db2.gz PYJWJCYOXQXQQJ-TXEJJXNPSA-N 1 2 291.351 1.296 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(COC)on1 ZINC001018038015 846604331 /nfs/dbraw/zinc/60/43/31/846604331.db2.gz 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/nfs/dbraw/zinc/69/75/26/846697526.db2.gz JXVRAAPWNBLPQC-UHFFFAOYSA-N 1 2 273.336 1.921 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccnc(C)c2)C1 ZINC001035549199 846702810 /nfs/dbraw/zinc/70/28/10/846702810.db2.gz IRSXFRWBSQVOAB-AWEZNQCLSA-N 1 2 275.352 1.007 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccnc(C)c2)C1 ZINC001035549199 846702819 /nfs/dbraw/zinc/70/28/19/846702819.db2.gz IRSXFRWBSQVOAB-AWEZNQCLSA-N 1 2 275.352 1.007 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001035488993 846726671 /nfs/dbraw/zinc/72/66/71/846726671.db2.gz QFCXDUUMFYBERE-QWHCGFSZSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001035488993 846726678 /nfs/dbraw/zinc/72/66/78/846726678.db2.gz QFCXDUUMFYBERE-QWHCGFSZSA-N 1 2 266.385 1.426 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@]23C[C@H]2COC3)C1 ZINC001033098374 846727675 /nfs/dbraw/zinc/72/76/75/846727675.db2.gz GUGLTTPUXBEFML-SCRDCRAPSA-N 1 2 284.787 1.308 20 30 CDEDLO 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N#Cc1c2c(cn(C[N@H+]3CC[C@H]4C[C@H]4C3)c1=O)CCC2 ZINC000853575771 847654208 /nfs/dbraw/zinc/65/42/08/847654208.db2.gz JULLGLREMHNXNE-AAEUAGOBSA-N 1 2 269.348 1.508 20 30 CDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cc[nH]c1 ZINC001031690823 847665284 /nfs/dbraw/zinc/66/52/84/847665284.db2.gz HKZYLFXRKSPXPI-UHFFFAOYSA-N 1 2 293.370 1.728 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnccc1C ZINC001038125821 847708854 /nfs/dbraw/zinc/70/88/54/847708854.db2.gz MTBHBSBOSZSAPL-CYBMUJFWSA-N 1 2 257.337 1.217 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnccc1C ZINC001038125821 847708861 /nfs/dbraw/zinc/70/88/61/847708861.db2.gz MTBHBSBOSZSAPL-CYBMUJFWSA-N 1 2 257.337 1.217 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2cccc3cnccc32)C1 ZINC001030527562 847738759 /nfs/dbraw/zinc/73/87/59/847738759.db2.gz UURYCMLPSHMAIY-UHFFFAOYSA-N 1 2 281.359 1.764 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnn(C)c2)[C@@H]1C ZINC000993037189 847791617 /nfs/dbraw/zinc/79/16/17/847791617.db2.gz NHVOTVPNQNGYLE-WCQYABFASA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnn(C)c2)[C@@H]1C ZINC000993037189 847791625 /nfs/dbraw/zinc/79/16/25/847791625.db2.gz NHVOTVPNQNGYLE-WCQYABFASA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C)CCOCC2)C1 ZINC001015848487 847796896 /nfs/dbraw/zinc/79/68/96/847796896.db2.gz ZVQGBJGMZXCLMC-GFCCVEGCSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CCOCC2)C1 ZINC001015848487 847796905 /nfs/dbraw/zinc/79/69/05/847796905.db2.gz ZVQGBJGMZXCLMC-GFCCVEGCSA-N 1 2 286.803 1.746 20 30 CDEDLO COC(=O)c1cccc(N[NH+]=Cc2cnc(N)nc2)c1 ZINC000781594657 847819256 /nfs/dbraw/zinc/81/92/56/847819256.db2.gz DZKFWCOUMIYPLI-UHFFFAOYSA-N 1 2 271.280 1.291 20 30 CDEDLO C=CC[N@@H+](Cc1nc(C(=O)OCC)no1)C(C)C ZINC000314358439 847856446 /nfs/dbraw/zinc/85/64/46/847856446.db2.gz PGVFHZISYGJSJV-UHFFFAOYSA-N 1 2 253.302 1.643 20 30 CDEDLO C=CC[N@H+](Cc1nc(C(=O)OCC)no1)C(C)C ZINC000314358439 847856450 /nfs/dbraw/zinc/85/64/50/847856450.db2.gz PGVFHZISYGJSJV-UHFFFAOYSA-N 1 2 253.302 1.643 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(C2CCCC2)n1 ZINC001038858942 847858254 /nfs/dbraw/zinc/85/82/54/847858254.db2.gz SQDGXMJDRAXBPT-CYBMUJFWSA-N 1 2 287.363 1.770 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(C2CCCC2)n1 ZINC001038858942 847858257 /nfs/dbraw/zinc/85/82/57/847858257.db2.gz SQDGXMJDRAXBPT-CYBMUJFWSA-N 1 2 287.363 1.770 20 30 CDEDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2ccc(CC#N)cc2)C1 ZINC000805473570 847866118 /nfs/dbraw/zinc/86/61/18/847866118.db2.gz HQCNBUJKTDCRFQ-HNNXBMFYSA-N 1 2 288.347 1.517 20 30 CDEDLO CC[N@H+]1CCO[C@H](C(=O)OCc2ccc(CC#N)cc2)C1 ZINC000805473570 847866121 /nfs/dbraw/zinc/86/61/21/847866121.db2.gz HQCNBUJKTDCRFQ-HNNXBMFYSA-N 1 2 288.347 1.517 20 30 CDEDLO N#CCC(=O)N1CC[NH+](C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000886228815 848015388 /nfs/dbraw/zinc/01/53/88/848015388.db2.gz GIKFORCOLUMMFZ-UONOGXRCSA-N 1 2 277.368 1.002 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2C(N)=O)c1 ZINC001232679202 912385250 /nfs/dbraw/zinc/38/52/50/912385250.db2.gz GWEIZKAJHFDFLO-LBPRGKRZSA-N 1 2 259.309 1.104 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2C(N)=O)c1 ZINC001232679202 912385254 /nfs/dbraw/zinc/38/52/54/912385254.db2.gz GWEIZKAJHFDFLO-LBPRGKRZSA-N 1 2 259.309 1.104 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccs1)C2 ZINC001095128116 912496644 /nfs/dbraw/zinc/49/66/44/912496644.db2.gz OVUPEBUXNVNDDA-WOPDTQHZSA-N 1 2 260.362 1.716 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccs1)C2 ZINC001095128116 912496650 /nfs/dbraw/zinc/49/66/50/912496650.db2.gz OVUPEBUXNVNDDA-WOPDTQHZSA-N 1 2 260.362 1.716 20 30 CDEDLO COC(=O)c1c(OC)cc[nH+]c1NCCCCC#N ZINC001168426850 912662046 /nfs/dbraw/zinc/66/20/46/912662046.db2.gz CEJBQIQYHKXRGX-UHFFFAOYSA-N 1 2 263.297 1.983 20 30 CDEDLO N#Cc1ccc(F)c(NCC2([NH+]3CCCC3)COC2)c1 ZINC001168444935 913288358 /nfs/dbraw/zinc/28/83/58/913288358.db2.gz NDHDCAUVBMXKKK-UHFFFAOYSA-N 1 2 275.327 1.974 20 30 CDEDLO Cc1nc(NCC[C@H](C)NC(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001106269277 913752164 /nfs/dbraw/zinc/75/21/64/913752164.db2.gz RPXNIDUQYMCMNQ-UWVGGRQHSA-N 1 2 261.329 1.251 20 30 CDEDLO Cc1nc(NCC[C@@H](C)NC(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001106277712 913778659 /nfs/dbraw/zinc/77/86/59/913778659.db2.gz KIBJOJHSAIVPOT-SNVBAGLBSA-N 1 2 298.350 1.605 20 30 CDEDLO N#CCc1cc[nH+]c(N2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c1 ZINC001167075367 894203445 /nfs/dbraw/zinc/20/34/45/894203445.db2.gz DCSWXGKZEBKFHS-LVEBTZEWSA-N 1 2 255.321 1.761 20 30 CDEDLO C[C@H](CCNc1ncccc1C#N)NC(=O)Cn1cc[nH+]c1 ZINC001106361816 913880910 /nfs/dbraw/zinc/88/09/10/913880910.db2.gz GFSYXCKPVKWNTP-GFCCVEGCSA-N 1 2 298.350 1.157 20 30 CDEDLO Cc1cc(N2CCC(n3cc[nH+]c3)CC2)nc(C#N)n1 ZINC001167126465 894659913 /nfs/dbraw/zinc/65/99/13/894659913.db2.gz VPXZHEMUTBKSJV-UHFFFAOYSA-N 1 2 268.324 1.695 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1-c1ccc(F)cc1C#N ZINC001210553309 895319419 /nfs/dbraw/zinc/31/94/19/895319419.db2.gz YVXXZKHRFKCTFA-UHFFFAOYSA-N 1 2 274.255 1.642 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2ccc(O)cc2)CC1 ZINC000588417078 895977217 /nfs/dbraw/zinc/97/72/17/895977217.db2.gz ONRXVEVCLNULHZ-YVMONPNESA-N 1 2 270.332 1.183 20 30 CDEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)C3(F)CCCCC3)[C@H]2C1 ZINC001083239564 896721850 /nfs/dbraw/zinc/72/18/50/896721850.db2.gz JNOCGAKYXXHDGL-UONOGXRCSA-N 1 2 296.386 1.756 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)C3(F)CCCCC3)[C@H]2C1 ZINC001083239564 896721856 /nfs/dbraw/zinc/72/18/56/896721856.db2.gz JNOCGAKYXXHDGL-UONOGXRCSA-N 1 2 296.386 1.756 20 30 CDEDLO CSc1ncc(C#N)c(NCc2cc[nH+]c(N)c2)n1 ZINC001167614226 897043616 /nfs/dbraw/zinc/04/36/16/897043616.db2.gz PXHMXAADQYOUTM-UHFFFAOYSA-N 1 2 272.337 1.081 20 30 CDEDLO C[C@@H](CC(=O)N1C[C@@H](CNCC#N)[C@H](C)C1)n1cc[nH+]c1 ZINC001106712981 914173433 /nfs/dbraw/zinc/17/34/33/914173433.db2.gz VTGXYNQJMDUQHH-HZSPNIEDSA-N 1 2 289.383 1.042 20 30 CDEDLO C[C@@H](CNc1ncccc1C#N)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001104647264 898841032 /nfs/dbraw/zinc/84/10/32/898841032.db2.gz FGFRQZIHWZTFDE-NSHDSACASA-N 1 2 298.350 1.178 20 30 CDEDLO C[N@H+](CC(=O)[C@H](C#N)c1ccccn1)[C@@H]1CCSC1 ZINC000123579999 900038328 /nfs/dbraw/zinc/03/83/28/900038328.db2.gz FMZMSULWUDTAOK-VXGBXAGGSA-N 1 2 275.377 1.695 20 30 CDEDLO C[N@@H+](CC(=O)[C@H](C#N)c1ccccn1)[C@@H]1CCSC1 ZINC000123579999 900038336 /nfs/dbraw/zinc/03/83/36/900038336.db2.gz FMZMSULWUDTAOK-VXGBXAGGSA-N 1 2 275.377 1.695 20 30 CDEDLO C=C(C)C(=O)OCCNc1[nH+]ccc(OC)c1C(=O)OC ZINC001168071069 906660434 /nfs/dbraw/zinc/66/04/34/906660434.db2.gz XIQQEAXFQAEEOZ-UHFFFAOYSA-N 1 2 294.307 1.408 20 30 CDEDLO C#Cc1cc(Nc2ccc3nc(N)ncc3c2)cc[nH+]1 ZINC001213107407 908701422 /nfs/dbraw/zinc/70/14/22/908701422.db2.gz VBVMGKITCOHKGE-UHFFFAOYSA-N 1 2 261.288 1.754 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(F)F)c1nccn12 ZINC001092338881 909379330 /nfs/dbraw/zinc/37/93/30/909379330.db2.gz PWVPXINXZJMJNK-JTQLQIEISA-N 1 2 296.321 1.296 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)CC1CC1)c1nccn12 ZINC001092342464 909384311 /nfs/dbraw/zinc/38/43/11/909384311.db2.gz NBUUDPAJYYTGDS-ZDUSSCGKSA-N 1 2 286.379 1.441 20 30 CDEDLO Cc1ncc(C#N)cc1NC(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001142626151 909639407 /nfs/dbraw/zinc/63/94/07/909639407.db2.gz FSSUBFNPIUDTQG-AWEZNQCLSA-N 1 2 270.336 1.685 20 30 CDEDLO C=CCOCC(=O)NCCN(CCC)c1cc[nH+]c(C)n1 ZINC001101106233 909835562 /nfs/dbraw/zinc/83/55/62/909835562.db2.gz AUJGSZWPEZIZRB-UHFFFAOYSA-N 1 2 292.383 1.320 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@@H]3C[C@H]3C)CC2)C1 ZINC001093567894 909967427 /nfs/dbraw/zinc/96/74/27/909967427.db2.gz ABYOBJJVVKOXGR-KGLIPLIRSA-N 1 2 292.423 1.910 20 30 CDEDLO Cc1nc(NCCNC(=O)CC#Cc2ccccc2)cc[nH+]1 ZINC001093662982 910065551 /nfs/dbraw/zinc/06/55/51/910065551.db2.gz MQVWZANDTMIUML-UHFFFAOYSA-N 1 2 294.358 1.755 20 30 CDEDLO Cc1nc(NCCCNC(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001094369298 910538117 /nfs/dbraw/zinc/53/81/17/910538117.db2.gz POQMMFAZGATVAR-UHFFFAOYSA-N 1 2 284.323 1.217 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171475976 910795471 /nfs/dbraw/zinc/79/54/71/910795471.db2.gz IKGMDHKEKMAMGZ-QWHCGFSZSA-N 1 2 277.318 1.619 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(F)F)C1 ZINC001098674313 911288252 /nfs/dbraw/zinc/28/82/52/911288252.db2.gz KATSSQNGYGWIRW-CABZTGNLSA-N 1 2 278.730 1.975 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(F)F)C1 ZINC001098674313 911288268 /nfs/dbraw/zinc/28/82/68/911288268.db2.gz KATSSQNGYGWIRW-CABZTGNLSA-N 1 2 278.730 1.975 20 30 CDEDLO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC(F)(F)CO ZINC001172301132 911543235 /nfs/dbraw/zinc/54/32/35/911543235.db2.gz KVDBCMVFPVVTEA-SNVBAGLBSA-N 1 2 254.280 1.706 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172712986 911913920 /nfs/dbraw/zinc/91/39/20/911913920.db2.gz CIGYMHVVKRQOJB-KGLIPLIRSA-N 1 2 261.756 1.605 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)C#Cc1ccc(F)cc1F ZINC001178574291 915526736 /nfs/dbraw/zinc/52/67/36/915526736.db2.gz KQBNHNIHHSFUJD-UHFFFAOYSA-N 1 2 289.285 1.409 20 30 CDEDLO C=CCCC(=O)NCC[NH2+][C@H](C)c1nc(C(C)C)no1 ZINC001124651676 936328830 /nfs/dbraw/zinc/32/88/30/936328830.db2.gz VZWMTUJYUOMDAG-LLVKDONJSA-N 1 2 280.372 1.926 20 30 CDEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2c(C#N)oc3ccccc32)C1 ZINC001180757656 916609774 /nfs/dbraw/zinc/60/97/74/916609774.db2.gz XGXNOXFSTICRRQ-CYBMUJFWSA-N 1 2 285.303 1.574 20 30 CDEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2c(C#N)oc3ccccc32)C1 ZINC001180757656 916609786 /nfs/dbraw/zinc/60/97/86/916609786.db2.gz XGXNOXFSTICRRQ-CYBMUJFWSA-N 1 2 285.303 1.574 20 30 CDEDLO Cc1nc(N[C@H](C)CNC(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001097804185 936384540 /nfs/dbraw/zinc/38/45/40/936384540.db2.gz TVPYVUATUDLABW-LLVKDONJSA-N 1 2 274.368 1.751 20 30 CDEDLO Cc1nc(NC/C=C/CNC(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001107078635 917978440 /nfs/dbraw/zinc/97/84/40/917978440.db2.gz MGVOJOSVHNGXOY-FSIBCCDJSA-N 1 2 259.313 1.029 20 30 CDEDLO Cc1nc(NC/C=C\CNC(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001107126923 918150269 /nfs/dbraw/zinc/15/02/69/918150269.db2.gz GHHPUIYBRBSCKU-IHWYPQMZSA-N 1 2 296.334 1.383 20 30 CDEDLO Cc1nc(NC/C=C/CNC(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001107157788 918226604 /nfs/dbraw/zinc/22/66/04/918226604.db2.gz AWCZMPDZFZTVFG-AATRIKPKSA-N 1 2 286.379 1.919 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccccc2F)C1 ZINC001107698541 918635733 /nfs/dbraw/zinc/63/57/33/918635733.db2.gz QPKISBHPLSZIKD-INIZCTEOSA-N 1 2 292.354 1.832 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccccc2F)C1 ZINC001107698541 918635745 /nfs/dbraw/zinc/63/57/45/918635745.db2.gz QPKISBHPLSZIKD-INIZCTEOSA-N 1 2 292.354 1.832 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2C[C@]23CCCOC3)CC1 ZINC001183713769 918637169 /nfs/dbraw/zinc/63/71/69/918637169.db2.gz CQHHMVCMCJONBI-HIFRSBDPSA-N 1 2 264.369 1.133 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cccc(F)c2)C1 ZINC001107706503 918644749 /nfs/dbraw/zinc/64/47/49/918644749.db2.gz RKYRTFHFXFTUDY-INIZCTEOSA-N 1 2 292.354 1.832 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cccc(F)c2)C1 ZINC001107706503 918644754 /nfs/dbraw/zinc/64/47/54/918644754.db2.gz RKYRTFHFXFTUDY-INIZCTEOSA-N 1 2 292.354 1.832 20 30 CDEDLO C#CCOc1ccc(CN2CC[NH+](CC#C)CC2)cc1OC ZINC001138348911 936524055 /nfs/dbraw/zinc/52/40/55/936524055.db2.gz PRCAZDLDBULLGN-UHFFFAOYSA-N 1 2 298.386 1.458 20 30 CDEDLO C#CCOc1ccc(C[NH+]2CCN(CC#C)CC2)cc1OC ZINC001138348911 936524056 /nfs/dbraw/zinc/52/40/56/936524056.db2.gz PRCAZDLDBULLGN-UHFFFAOYSA-N 1 2 298.386 1.458 20 30 CDEDLO N#Cc1cnc(CNC(=O)CCc2ccc(N)[nH+]c2)s1 ZINC001183939525 918756329 /nfs/dbraw/zinc/75/63/29/918756329.db2.gz NPKILMJSZPELBE-UHFFFAOYSA-N 1 2 287.348 1.241 20 30 CDEDLO N#Cc1cccc(NC(=O)CCc2ccc(N)[nH+]c2)n1 ZINC001183928286 918770989 /nfs/dbraw/zinc/77/09/89/918770989.db2.gz BECHRNKNDJYREW-UHFFFAOYSA-N 1 2 267.292 1.502 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCCOC)C1 ZINC001107795451 918798141 /nfs/dbraw/zinc/79/81/41/918798141.db2.gz NMXNZFIMWKUDEL-OAHLLOKOSA-N 1 2 284.400 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCCCOC)C1 ZINC001107795451 918798152 /nfs/dbraw/zinc/79/81/52/918798152.db2.gz NMXNZFIMWKUDEL-OAHLLOKOSA-N 1 2 284.400 1.196 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)=C2CCC2)C1 ZINC001107935408 919081030 /nfs/dbraw/zinc/08/10/30/919081030.db2.gz BIWQNQNPLSIPGU-MRXNPFEDSA-N 1 2 278.396 1.880 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)=C2CCC2)C1 ZINC001107935408 919081041 /nfs/dbraw/zinc/08/10/41/919081041.db2.gz BIWQNQNPLSIPGU-MRXNPFEDSA-N 1 2 278.396 1.880 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cn2nccc2C)C1 ZINC001409938259 919118157 /nfs/dbraw/zinc/11/81/57/919118157.db2.gz YZBLLIBCPYULGM-GFCCVEGCSA-N 1 2 296.802 1.381 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C2CC2)CCC1 ZINC001032543384 919364793 /nfs/dbraw/zinc/36/47/93/919364793.db2.gz VMZGQJAZVYQKBO-KBPBESRZSA-N 1 2 258.365 1.485 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C2CC2)CCC1 ZINC001032543384 919364803 /nfs/dbraw/zinc/36/48/03/919364803.db2.gz VMZGQJAZVYQKBO-KBPBESRZSA-N 1 2 258.365 1.485 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001255177103 936586985 /nfs/dbraw/zinc/58/69/85/936586985.db2.gz MLDNJFUREVWEDJ-NWDGAFQWSA-N 1 2 264.304 1.761 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001255177103 936586987 /nfs/dbraw/zinc/58/69/87/936586987.db2.gz MLDNJFUREVWEDJ-NWDGAFQWSA-N 1 2 264.304 1.761 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC23CC3)C1 ZINC001108023946 920006535 /nfs/dbraw/zinc/00/65/35/920006535.db2.gz GOKNHIUNAMPWDN-HOCLYGCPSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC23CC3)C1 ZINC001108023946 920006546 /nfs/dbraw/zinc/00/65/46/920006546.db2.gz GOKNHIUNAMPWDN-HOCLYGCPSA-N 1 2 292.423 1.960 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2(C)CC2)C1 ZINC001276381670 936629402 /nfs/dbraw/zinc/62/94/02/936629402.db2.gz OHWVJOSUWNUQLK-SNVBAGLBSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC(C)C)[C@H](O)C1 ZINC001099637587 920284838 /nfs/dbraw/zinc/28/48/38/920284838.db2.gz XWDCWMNBKQRIDS-NWDGAFQWSA-N 1 2 274.792 1.336 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC(C)C)[C@H](O)C1 ZINC001099637587 920284850 /nfs/dbraw/zinc/28/48/50/920284850.db2.gz XWDCWMNBKQRIDS-NWDGAFQWSA-N 1 2 274.792 1.336 20 30 CDEDLO C=CCN1CC2(C[NH+](CCc3cccs3)C2)OCC1=O ZINC001273533361 920296926 /nfs/dbraw/zinc/29/69/26/920296926.db2.gz VMSIORYYBJELBL-UHFFFAOYSA-N 1 2 292.404 1.390 20 30 CDEDLO CC(=O)N1CC[N@@H+](Cc2ccc(C)c(C#N)c2)C[C@@H]1C ZINC001139726038 936639890 /nfs/dbraw/zinc/63/98/90/936639890.db2.gz OQAMYYDLZRHPIO-ZDUSSCGKSA-N 1 2 271.364 1.919 20 30 CDEDLO CC(=O)N1CC[N@H+](Cc2ccc(C)c(C#N)c2)C[C@@H]1C ZINC001139726038 936639891 /nfs/dbraw/zinc/63/98/91/936639891.db2.gz OQAMYYDLZRHPIO-ZDUSSCGKSA-N 1 2 271.364 1.919 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccnnc2)C1 ZINC001139987568 936666192 /nfs/dbraw/zinc/66/61/92/936666192.db2.gz XZNMINSTAYKIST-CYBMUJFWSA-N 1 2 276.340 1.353 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccnnc2)C1 ZINC001139987568 936666193 /nfs/dbraw/zinc/66/61/93/936666193.db2.gz XZNMINSTAYKIST-CYBMUJFWSA-N 1 2 276.340 1.353 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(C(F)(F)F)ccn2)CC1 ZINC001140108687 936678723 /nfs/dbraw/zinc/67/87/23/936678723.db2.gz JSEDVNXMWZOWQX-UHFFFAOYSA-N 1 2 283.297 1.851 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccncc2O)CC1 ZINC001140279994 936696310 /nfs/dbraw/zinc/69/63/10/936696310.db2.gz YLWFBJRRLGEVPJ-UHFFFAOYSA-N 1 2 275.308 1.066 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCC[NH2+]Cc1ncc(C)o1)OCC ZINC001128527852 921975068 /nfs/dbraw/zinc/97/50/68/921975068.db2.gz DEIZXJBXYJJYQH-ZDUSSCGKSA-N 1 2 295.383 1.560 20 30 CDEDLO C=CCC1(S(=O)(=O)NCc2c[nH+]cn2CCOC)CC1 ZINC001190824872 922231458 /nfs/dbraw/zinc/23/14/58/922231458.db2.gz VJLHKTNBVKEWKJ-UHFFFAOYSA-N 1 2 299.396 1.058 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2CCC2)[C@H](O)C1 ZINC001090167477 922423838 /nfs/dbraw/zinc/42/38/38/922423838.db2.gz VSFOINVEKRNPNV-QWHCGFSZSA-N 1 2 286.803 1.481 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC2CCC2)[C@H](O)C1 ZINC001090167477 922423843 /nfs/dbraw/zinc/42/38/43/922423843.db2.gz VSFOINVEKRNPNV-QWHCGFSZSA-N 1 2 286.803 1.481 20 30 CDEDLO Cc1nc(N[C@@H](C)CCNC(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001099027583 936775698 /nfs/dbraw/zinc/77/56/98/936775698.db2.gz SKMINPLINYZRRW-JTQLQIEISA-N 1 2 298.350 1.605 20 30 CDEDLO C#CCC1(C(=O)NCC[NH2+]Cc2nc(CC)no2)CCC1 ZINC001129125068 922927085 /nfs/dbraw/zinc/92/70/85/922927085.db2.gz LNISPMQJXNPNLC-UHFFFAOYSA-N 1 2 290.367 1.031 20 30 CDEDLO COc1cc(C#N)ccc1C(=O)N1CCc2[nH+]ccn2CC1 ZINC001192255706 922961020 /nfs/dbraw/zinc/96/10/20/922961020.db2.gz IMBOPLAZWQSYHB-UHFFFAOYSA-N 1 2 296.330 1.462 20 30 CDEDLO CCC[NH+]1C[C@@H]2CN(C(=O)c3cccc(C#N)c3O)C[C@H]2C1 ZINC001193646950 923838262 /nfs/dbraw/zinc/83/82/62/923838262.db2.gz RGIWILVZUFGLPL-ZIAGYGMSSA-N 1 2 299.374 1.678 20 30 CDEDLO N#Cc1cccc(C(=O)NCc2[nH+]cn3ccccc23)c1O ZINC001193659299 923847866 /nfs/dbraw/zinc/84/78/66/923847866.db2.gz LAXXHLXHOIEJBK-UHFFFAOYSA-N 1 2 292.298 1.842 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC001079666833 924404752 /nfs/dbraw/zinc/40/47/52/924404752.db2.gz DUNNRZBOFASVIP-FKTZTGRPSA-N 1 2 278.730 1.831 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC001079666833 924404757 /nfs/dbraw/zinc/40/47/57/924404757.db2.gz DUNNRZBOFASVIP-FKTZTGRPSA-N 1 2 278.730 1.831 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001080267174 924515425 /nfs/dbraw/zinc/51/54/25/924515425.db2.gz YOATYTVXWOQIGW-CNVPUSNMSA-N 1 2 256.777 1.831 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001080267174 924515433 /nfs/dbraw/zinc/51/54/33/924515433.db2.gz YOATYTVXWOQIGW-CNVPUSNMSA-N 1 2 256.777 1.831 20 30 CDEDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc(C#N)cc1O ZINC001195740675 924720833 /nfs/dbraw/zinc/72/08/33/924720833.db2.gz JLPMXHCNUBLEKL-WDEREUQCSA-N 1 2 273.336 1.428 20 30 CDEDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc(C#N)cc1O ZINC001195740675 924720841 /nfs/dbraw/zinc/72/08/41/924720841.db2.gz JLPMXHCNUBLEKL-WDEREUQCSA-N 1 2 273.336 1.428 20 30 CDEDLO C[N@@H+](Cc1ccc(Br)cc1C#N)C[C@H](O)CO ZINC001141809782 936943197 /nfs/dbraw/zinc/94/31/97/936943197.db2.gz CGRSPFRHYAOUPF-LBPRGKRZSA-N 1 2 299.168 1.106 20 30 CDEDLO C[N@H+](Cc1ccc(Br)cc1C#N)C[C@H](O)CO ZINC001141809782 936943199 /nfs/dbraw/zinc/94/31/99/936943199.db2.gz CGRSPFRHYAOUPF-LBPRGKRZSA-N 1 2 299.168 1.106 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)C2(C)CC2)CC1 ZINC001195908245 924763902 /nfs/dbraw/zinc/76/39/02/924763902.db2.gz YXIQQWIRPHQPLR-CYBMUJFWSA-N 1 2 293.411 1.012 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)C2(C)CC2)CC1 ZINC001195908245 924763906 /nfs/dbraw/zinc/76/39/06/924763906.db2.gz YXIQQWIRPHQPLR-CYBMUJFWSA-N 1 2 293.411 1.012 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(C)C)no2)[C@H](OC)C1 ZINC001082199981 924876936 /nfs/dbraw/zinc/87/69/36/924876936.db2.gz LMRJINNIDMTVSL-TZMCWYRMSA-N 1 2 293.367 1.413 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(C(C)C)no2)[C@H](OC)C1 ZINC001082199981 924876946 /nfs/dbraw/zinc/87/69/46/924876946.db2.gz LMRJINNIDMTVSL-TZMCWYRMSA-N 1 2 293.367 1.413 20 30 CDEDLO C=C(C)C[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001082524762 924953854 /nfs/dbraw/zinc/95/38/54/924953854.db2.gz JXWLCFOTEHGFSF-BBBLOLIVSA-N 1 2 282.281 1.899 20 30 CDEDLO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C ZINC001082524762 924953861 /nfs/dbraw/zinc/95/38/61/924953861.db2.gz JXWLCFOTEHGFSF-BBBLOLIVSA-N 1 2 282.281 1.899 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cncs3)[C@H]2C1 ZINC001083015042 925075056 /nfs/dbraw/zinc/07/50/56/925075056.db2.gz BAJSXNAFUZNNRQ-NWDGAFQWSA-N 1 2 293.392 1.244 20 30 CDEDLO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cncs3)[C@H]2C1 ZINC001083015042 925075066 /nfs/dbraw/zinc/07/50/66/925075066.db2.gz BAJSXNAFUZNNRQ-NWDGAFQWSA-N 1 2 293.392 1.244 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2coc3ccccc23)[C@@H](O)C1 ZINC001084118013 925135398 /nfs/dbraw/zinc/13/53/98/925135398.db2.gz LKIFULPZPDGATP-CABCVRRESA-N 1 2 298.342 1.231 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2coc3ccccc23)[C@@H](O)C1 ZINC001084118013 925135405 /nfs/dbraw/zinc/13/54/05/925135405.db2.gz LKIFULPZPDGATP-CABCVRRESA-N 1 2 298.342 1.231 20 30 CDEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1cscn1)CC2 ZINC001273216815 925235913 /nfs/dbraw/zinc/23/59/13/925235913.db2.gz VMHCUAIRKMRILW-CYBMUJFWSA-N 1 2 289.404 1.495 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(CCC)[nH]n3)[C@@H]2C1 ZINC001084564848 925286216 /nfs/dbraw/zinc/28/62/16/925286216.db2.gz FWTSEESJZXCCTC-IUODEOHRSA-N 1 2 288.395 1.695 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(CCC)[nH]n3)[C@@H]2C1 ZINC001084564848 925286221 /nfs/dbraw/zinc/28/62/21/925286221.db2.gz FWTSEESJZXCCTC-IUODEOHRSA-N 1 2 288.395 1.695 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C[C@@H]21 ZINC001084946403 925515712 /nfs/dbraw/zinc/51/57/12/925515712.db2.gz ILYZQMHRLZRZLF-OUAUKWLOSA-N 1 2 292.276 1.443 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C[C@@H]21 ZINC001084946403 925515718 /nfs/dbraw/zinc/51/57/18/925515718.db2.gz ILYZQMHRLZRZLF-OUAUKWLOSA-N 1 2 292.276 1.443 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1O ZINC001085488803 926058319 /nfs/dbraw/zinc/05/83/19/926058319.db2.gz IGDQKFHPEPWEEO-GFCCVEGCSA-N 1 2 258.321 1.172 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1O ZINC001085488803 926058327 /nfs/dbraw/zinc/05/83/27/926058327.db2.gz IGDQKFHPEPWEEO-GFCCVEGCSA-N 1 2 258.321 1.172 20 30 CDEDLO CN(C[C@@H]1CC[N@@H+]1C/C=C/Cl)C(=O)c1c[nH]c(C#N)c1 ZINC001085556564 926147381 /nfs/dbraw/zinc/14/73/81/926147381.db2.gz UNSPMGXLHBKVAM-OHVSUOQFSA-N 1 2 292.770 1.785 20 30 CDEDLO CN(C[C@@H]1CC[N@H+]1C/C=C/Cl)C(=O)c1c[nH]c(C#N)c1 ZINC001085556564 926147383 /nfs/dbraw/zinc/14/73/83/926147383.db2.gz UNSPMGXLHBKVAM-OHVSUOQFSA-N 1 2 292.770 1.785 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(OCC)nc1 ZINC001085628278 926227820 /nfs/dbraw/zinc/22/78/20/926227820.db2.gz UIGRGGMMQOZMFE-CQSZACIVSA-N 1 2 287.363 1.260 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(OCC)nc1 ZINC001085628278 926227826 /nfs/dbraw/zinc/22/78/26/926227826.db2.gz UIGRGGMMQOZMFE-CQSZACIVSA-N 1 2 287.363 1.260 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1Cl ZINC001085676176 926267841 /nfs/dbraw/zinc/26/78/41/926267841.db2.gz JLCULWVFBHZGGO-LLVKDONJSA-N 1 2 294.786 1.243 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1Cl ZINC001085676176 926267848 /nfs/dbraw/zinc/26/78/48/926267848.db2.gz JLCULWVFBHZGGO-LLVKDONJSA-N 1 2 294.786 1.243 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2c[nH]ccc-2n1 ZINC001085672787 926272408 /nfs/dbraw/zinc/27/24/08/926272408.db2.gz HPGKJVLBGWJDDL-ZDUSSCGKSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2c[nH]ccc-2n1 ZINC001085672787 926272417 /nfs/dbraw/zinc/27/24/17/926272417.db2.gz HPGKJVLBGWJDDL-ZDUSSCGKSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1n[nH]c2c1CCCC2 ZINC001085691240 926291189 /nfs/dbraw/zinc/29/11/89/926291189.db2.gz AITSBXOLXAISRE-LBPRGKRZSA-N 1 2 286.379 1.068 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1n[nH]c2c1CCCC2 ZINC001085691240 926291197 /nfs/dbraw/zinc/29/11/97/926291197.db2.gz AITSBXOLXAISRE-LBPRGKRZSA-N 1 2 286.379 1.068 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2c1CCOC2 ZINC001085718098 926323135 /nfs/dbraw/zinc/32/31/35/926323135.db2.gz HQBFSOWEABZUKX-OAHLLOKOSA-N 1 2 298.386 1.539 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2c1CCOC2 ZINC001085718098 926323145 /nfs/dbraw/zinc/32/31/45/926323145.db2.gz HQBFSOWEABZUKX-OAHLLOKOSA-N 1 2 298.386 1.539 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(F)ccc1C ZINC001085746191 926345473 /nfs/dbraw/zinc/34/54/73/926345473.db2.gz ALPNWSQPDKOSAS-CQSZACIVSA-N 1 2 274.339 1.914 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(F)ccc1C ZINC001085746191 926345480 /nfs/dbraw/zinc/34/54/80/926345480.db2.gz ALPNWSQPDKOSAS-CQSZACIVSA-N 1 2 274.339 1.914 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn(CCC)c1 ZINC001085848774 926445107 /nfs/dbraw/zinc/44/51/07/926445107.db2.gz GJNSEMZUSGEPCZ-AWEZNQCLSA-N 1 2 274.368 1.073 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(CCC)c1 ZINC001085848774 926445116 /nfs/dbraw/zinc/44/51/16/926445116.db2.gz GJNSEMZUSGEPCZ-AWEZNQCLSA-N 1 2 274.368 1.073 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(CCC)nc1C ZINC001085893281 926483057 /nfs/dbraw/zinc/48/30/57/926483057.db2.gz WSOUALAQEFWAHQ-CQSZACIVSA-N 1 2 288.395 1.381 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn(CCC)nc1C ZINC001085893281 926483060 /nfs/dbraw/zinc/48/30/60/926483060.db2.gz WSOUALAQEFWAHQ-CQSZACIVSA-N 1 2 288.395 1.381 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]nc1C1CC1 ZINC001085904165 926493740 /nfs/dbraw/zinc/49/37/40/926493740.db2.gz YIRRSKHEOSPOJU-GFCCVEGCSA-N 1 2 272.352 1.067 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]nc1C1CC1 ZINC001085904165 926493749 /nfs/dbraw/zinc/49/37/49/926493749.db2.gz YIRRSKHEOSPOJU-GFCCVEGCSA-N 1 2 272.352 1.067 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn(C)nc1Cl ZINC001085920250 926504464 /nfs/dbraw/zinc/50/44/64/926504464.db2.gz WYKVHMBMYYIDJD-NSHDSACASA-N 1 2 294.786 1.243 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(C)nc1Cl ZINC001085920250 926504470 /nfs/dbraw/zinc/50/44/70/926504470.db2.gz WYKVHMBMYYIDJD-NSHDSACASA-N 1 2 294.786 1.243 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC23CC3)C1 ZINC001108240334 926660973 /nfs/dbraw/zinc/66/09/73/926660973.db2.gz FSBHKQKYKVKMAK-OCCSQVGLSA-N 1 2 264.369 1.180 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC23CC3)C1 ZINC001108240334 926660976 /nfs/dbraw/zinc/66/09/76/926660976.db2.gz FSBHKQKYKVKMAK-OCCSQVGLSA-N 1 2 264.369 1.180 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC23CCC3)C1 ZINC001108248698 926773744 /nfs/dbraw/zinc/77/37/44/926773744.db2.gz OYTCQQWFCVJMNV-HOCLYGCPSA-N 1 2 290.407 1.407 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC23CCC3)C1 ZINC001108248698 926773748 /nfs/dbraw/zinc/77/37/48/926773748.db2.gz OYTCQQWFCVJMNV-HOCLYGCPSA-N 1 2 290.407 1.407 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2ccco2)C1 ZINC001108293408 927343458 /nfs/dbraw/zinc/34/34/58/927343458.db2.gz DYANRNPOMOYLSF-OAHLLOKOSA-N 1 2 278.352 1.215 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2ccco2)C1 ZINC001108293408 927343469 /nfs/dbraw/zinc/34/34/69/927343469.db2.gz DYANRNPOMOYLSF-OAHLLOKOSA-N 1 2 278.352 1.215 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(Cl)no2)C1 ZINC001108357758 927432252 /nfs/dbraw/zinc/43/22/52/927432252.db2.gz CHRUOTRIUOOEDY-CYBMUJFWSA-N 1 2 299.758 1.335 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(Cl)no2)C1 ZINC001108357758 927432259 /nfs/dbraw/zinc/43/22/59/927432259.db2.gz CHRUOTRIUOOEDY-CYBMUJFWSA-N 1 2 299.758 1.335 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3cccnc3c2O)CC1 ZINC001149320883 937170013 /nfs/dbraw/zinc/17/00/13/937170013.db2.gz PGTMPWUKZBHKED-UHFFFAOYSA-N 1 2 297.358 1.884 20 30 CDEDLO C=CC[N@@H+]1CCCO[C@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001149744502 937203080 /nfs/dbraw/zinc/20/30/80/937203080.db2.gz BGJMRIDWLZTHMN-ZJUUUORDSA-N 1 2 298.280 1.280 20 30 CDEDLO C=CC[N@H+]1CCCO[C@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001149744502 937203082 /nfs/dbraw/zinc/20/30/82/937203082.db2.gz BGJMRIDWLZTHMN-ZJUUUORDSA-N 1 2 298.280 1.280 20 30 CDEDLO C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001149744502 937203085 /nfs/dbraw/zinc/20/30/85/937203085.db2.gz BGJMRIDWLZTHMN-ZJUUUORDSA-N 1 2 298.280 1.280 20 30 CDEDLO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001149744502 937203086 /nfs/dbraw/zinc/20/30/86/937203086.db2.gz BGJMRIDWLZTHMN-ZJUUUORDSA-N 1 2 298.280 1.280 20 30 CDEDLO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](C#N)C2)CO1 ZINC001169402499 927989293 /nfs/dbraw/zinc/98/92/93/927989293.db2.gz DEAQMCIOQFWTLJ-UPJWGTAASA-N 1 2 266.341 1.333 20 30 CDEDLO CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](C#N)C2)CO1 ZINC001169402499 927989305 /nfs/dbraw/zinc/98/93/05/927989305.db2.gz DEAQMCIOQFWTLJ-UPJWGTAASA-N 1 2 266.341 1.333 20 30 CDEDLO C=C[C@@H]1C[C@@]1([NH2+][C@@H]1CCCC2(C1)OCCO2)C(=O)OCC ZINC001169917872 928521727 /nfs/dbraw/zinc/52/17/27/928521727.db2.gz YAQAEUSGVPCCPP-IOASZLSFSA-N 1 2 295.379 1.770 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C#N)C2 ZINC001109078136 928785077 /nfs/dbraw/zinc/78/50/77/928785077.db2.gz FFYDLOQASHJWMC-YJQGPUDQSA-N 1 2 267.760 1.620 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C#N)C2 ZINC001109078136 928785086 /nfs/dbraw/zinc/78/50/86/928785086.db2.gz FFYDLOQASHJWMC-YJQGPUDQSA-N 1 2 267.760 1.620 20 30 CDEDLO Cc1nonc1C[NH2+]CCNC(=O)CC#Cc1ccccc1 ZINC001151952842 937321702 /nfs/dbraw/zinc/32/17/02/937321702.db2.gz JFQVGYZRXPUKDV-UHFFFAOYSA-N 1 2 298.346 1.026 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccncc2F)CC1 ZINC001112737042 929370486 /nfs/dbraw/zinc/37/04/86/929370486.db2.gz QCZCETIOIMDEFM-UHFFFAOYSA-N 1 2 293.342 1.181 20 30 CDEDLO CC(C)C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C(=O)NO ZINC001151982726 937325068 /nfs/dbraw/zinc/32/50/68/937325068.db2.gz IORHCJCSJGZLSP-NSHDSACASA-N 1 2 290.323 1.213 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001134428685 929732279 /nfs/dbraw/zinc/73/22/79/929732279.db2.gz WYXDCAPTPBMQNX-JTQLQIEISA-N 1 2 280.372 1.747 20 30 CDEDLO C=CCNC(=O)NCc1c[nH+]cn1Cc1ccccc1 ZINC001202577900 930330822 /nfs/dbraw/zinc/33/08/22/930330822.db2.gz GUCSWFCGZMIUES-UHFFFAOYSA-N 1 2 270.336 1.917 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCSCC1)n1cc[nH+]c1 ZINC001116381991 937445127 /nfs/dbraw/zinc/44/51/27/937445127.db2.gz ZVZCMYHVPNXCKV-JTQLQIEISA-N 1 2 264.354 1.350 20 30 CDEDLO N#CC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001136466389 931067186 /nfs/dbraw/zinc/06/71/86/931067186.db2.gz QFNWOWDACMHIIU-GFCCVEGCSA-N 1 2 258.325 1.208 20 30 CDEDLO CC(C)=CCN1CC[C@]2(CCC[N@@H+]2CCC#N)C1=O ZINC001274030179 931129090 /nfs/dbraw/zinc/12/90/90/931129090.db2.gz FSJSOZPECIVWKN-OAHLLOKOSA-N 1 2 261.369 1.933 20 30 CDEDLO CC(C)=CCN1CC[C@]2(CCC[N@H+]2CCC#N)C1=O ZINC001274030179 931129094 /nfs/dbraw/zinc/12/90/94/931129094.db2.gz FSJSOZPECIVWKN-OAHLLOKOSA-N 1 2 261.369 1.933 20 30 CDEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cn[nH]c1CC ZINC001274382227 931495187 /nfs/dbraw/zinc/49/51/87/931495187.db2.gz YCSHQNLZSZMQHQ-HUUCEWRRSA-N 1 2 286.379 1.171 20 30 CDEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cn[nH]c1CC ZINC001274382227 931495188 /nfs/dbraw/zinc/49/51/88/931495188.db2.gz YCSHQNLZSZMQHQ-HUUCEWRRSA-N 1 2 286.379 1.171 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001144075819 931647943 /nfs/dbraw/zinc/64/79/43/931647943.db2.gz XPGIOZUAGOGJRP-LBPRGKRZSA-N 1 2 293.367 1.223 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001144076695 931647960 /nfs/dbraw/zinc/64/79/60/931647960.db2.gz KCGVLLBLLRFMLO-UHFFFAOYSA-N 1 2 266.385 1.570 20 30 CDEDLO N#Cc1cncc(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1 ZINC001144083860 931653109 /nfs/dbraw/zinc/65/31/09/931653109.db2.gz TVMRLEHNZYTAIE-CQSZACIVSA-N 1 2 272.308 1.028 20 30 CDEDLO N#Cc1cncc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1 ZINC001144083860 931653114 /nfs/dbraw/zinc/65/31/14/931653114.db2.gz TVMRLEHNZYTAIE-CQSZACIVSA-N 1 2 272.308 1.028 20 30 CDEDLO N#CCCNC(=O)C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC001117660968 937540703 /nfs/dbraw/zinc/54/07/03/937540703.db2.gz GUCDNHMIZHNFOY-UHFFFAOYSA-N 1 2 285.347 1.269 20 30 CDEDLO N#CCCNC(=O)C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC001117660968 937540704 /nfs/dbraw/zinc/54/07/04/937540704.db2.gz GUCDNHMIZHNFOY-UHFFFAOYSA-N 1 2 285.347 1.269 20 30 CDEDLO CCN(CC#N)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154404233 937541251 /nfs/dbraw/zinc/54/12/51/937541251.db2.gz WYMNYXDEHLZXOL-CYBMUJFWSA-N 1 2 288.395 1.971 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CCOC[C@@](O)(C(F)(F)F)C2)cc1 ZINC001144567952 931906224 /nfs/dbraw/zinc/90/62/24/931906224.db2.gz FIVQYJGOZSQCQC-CQSZACIVSA-N 1 2 299.292 1.794 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CCOC[C@@](O)(C(F)(F)F)C2)cc1 ZINC001144567952 931906227 /nfs/dbraw/zinc/90/62/27/931906227.db2.gz FIVQYJGOZSQCQC-CQSZACIVSA-N 1 2 299.292 1.794 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)Cc2cccc(C#N)c2)CCO1 ZINC001171204112 931945083 /nfs/dbraw/zinc/94/50/83/931945083.db2.gz TZHHGKQWSMUHFX-WFASDCNBSA-N 1 2 288.347 1.363 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+]([C@@H](C)Cc2cccc(C#N)c2)CCO1 ZINC001171204112 931945089 /nfs/dbraw/zinc/94/50/89/931945089.db2.gz TZHHGKQWSMUHFX-WFASDCNBSA-N 1 2 288.347 1.363 20 30 CDEDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cc(C#N)ccc1Cl ZINC001275725309 931981624 /nfs/dbraw/zinc/98/16/24/931981624.db2.gz QWDMLUODTQGTRH-PHIMTYICSA-N 1 2 275.739 1.740 20 30 CDEDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cc(C#N)ccc1Cl ZINC001275725309 931981626 /nfs/dbraw/zinc/98/16/26/931981626.db2.gz QWDMLUODTQGTRH-PHIMTYICSA-N 1 2 275.739 1.740 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](O)c2cccc(Cl)c2)CC1 ZINC001144822083 932037907 /nfs/dbraw/zinc/03/79/07/932037907.db2.gz BXLQZGHNHAUGRN-AWEZNQCLSA-N 1 2 294.782 1.704 20 30 CDEDLO C=CCC[C@@H](C)[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149124979 932563575 /nfs/dbraw/zinc/56/35/75/932563575.db2.gz ZMSPXODEONANQX-LLVKDONJSA-N 1 2 264.373 1.321 20 30 CDEDLO COc1c[nH+]c(N[C@@H]2C(=O)N(O)C[C@@H]2C)cc1C ZINC001171363209 932866368 /nfs/dbraw/zinc/86/63/68/932866368.db2.gz ULBSAJADZKHIKV-KWQFWETISA-N 1 2 251.286 1.047 20 30 CDEDLO N#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3[nH+]ccn31)C2 ZINC001095751780 934385165 /nfs/dbraw/zinc/38/51/65/934385165.db2.gz GBIDIGRHJACRJD-AGIUHOORSA-N 1 2 295.346 1.193 20 30 CDEDLO C=C(CC(C)C)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC001123879530 936238515 /nfs/dbraw/zinc/23/85/15/936238515.db2.gz FBMABQRJAGSMNT-HNNXBMFYSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CCCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097002089 936253462 /nfs/dbraw/zinc/25/34/62/936253462.db2.gz TVHQNINSVNLWCJ-HAQNSBGRSA-N 1 2 260.341 1.810 20 30 CDEDLO C=C(C[NH+](C)C)C(=O)N=[S@@](C)(=O)c1ccccc1F ZINC001120749597 937832171 /nfs/dbraw/zinc/83/21/71/937832171.db2.gz JPQZYLJKFZQWNY-IBGZPJMESA-N 1 2 284.356 1.927 20 30 CDEDLO C#CCN(C)c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1CC ZINC001121803622 937882915 /nfs/dbraw/zinc/88/29/15/937882915.db2.gz MPXURMDQJGNBRZ-ZDUSSCGKSA-N 1 2 291.399 1.149 20 30 CDEDLO C#CCN(C)c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1CC ZINC001121803622 937882917 /nfs/dbraw/zinc/88/29/17/937882917.db2.gz MPXURMDQJGNBRZ-ZDUSSCGKSA-N 1 2 291.399 1.149 20 30 CDEDLO C=C(C)CCC(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122158234 937909682 /nfs/dbraw/zinc/90/96/82/937909682.db2.gz KNAVVMYGKVJRMW-LBPRGKRZSA-N 1 2 278.356 1.030 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1ccnc(Cc2ccccc2)n1 ZINC001156332725 938353239 /nfs/dbraw/zinc/35/32/39/938353239.db2.gz NNWLCKOCJMARTH-AWEZNQCLSA-N 1 2 279.347 1.369 20 30 CDEDLO N#Cc1cnc(Cl)nc1NCc1cc[nH+]c(N)c1 ZINC001156755700 938414519 /nfs/dbraw/zinc/41/45/19/938414519.db2.gz IWQOSWRDWMWMBT-UHFFFAOYSA-N 1 2 260.688 1.013 20 30 CDEDLO N#Cc1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1 ZINC001158851485 938670496 /nfs/dbraw/zinc/67/04/96/938670496.db2.gz JCDXTVXFJABWDC-GFCCVEGCSA-N 1 2 252.277 1.109 20 30 CDEDLO COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1nccc(C)c1C#N ZINC001160691603 938814979 /nfs/dbraw/zinc/81/49/79/938814979.db2.gz UHDOOGZCWAHEQA-ZDUSSCGKSA-N 1 2 299.334 1.191 20 30 CDEDLO Cc1cnc(N[C@H]2CCC[C@@H]2[NH+]2CCOCC2)c(C#N)n1 ZINC001160727214 938821294 /nfs/dbraw/zinc/82/12/94/938821294.db2.gz XRHJBNCVLFUUSQ-JSGCOSHPSA-N 1 2 287.367 1.322 20 30 CDEDLO COc1nc(NCc2c[nH+]cn2CC2CCC2)ncc1C#N ZINC001161531087 938908763 /nfs/dbraw/zinc/90/87/63/938908763.db2.gz HSUQMTOTEVZTHB-UHFFFAOYSA-N 1 2 298.350 1.966 20 30 CDEDLO CCOC(=O)[C@H]([NH3+])CNc1nc(C)c(Cl)c(C)c1C#N ZINC001161945716 938946486 /nfs/dbraw/zinc/94/64/86/938946486.db2.gz NEPGNUZJVNHLBL-SNVBAGLBSA-N 1 2 296.758 1.526 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1nccc(Cl)c1C#N ZINC001162849575 939153220 /nfs/dbraw/zinc/15/32/20/939153220.db2.gz NIQDKSYGKGBKTB-JTQLQIEISA-N 1 2 296.758 1.688 20 30 CDEDLO C#CCCC1(CCNc2nc(N(C)C)nc(C)[nH+]2)N=N1 ZINC001163379799 939258898 /nfs/dbraw/zinc/25/88/98/939258898.db2.gz FIAOKEADXUZZFF-UHFFFAOYSA-N 1 2 273.344 1.624 20 30 CDEDLO CC(=O)Nc1c(C)cc[nH+]c1N[C@@H](CC(C)C)C(=O)NO ZINC001163420120 939266815 /nfs/dbraw/zinc/26/68/15/939266815.db2.gz BMAPFDAJCHSEEG-NSHDSACASA-N 1 2 294.355 1.680 20 30 CDEDLO CCN(CC)c1cc(N[C@@H](CC(C)C)C(=O)NO)[nH+]cn1 ZINC001163420467 939267110 /nfs/dbraw/zinc/26/71/10/939267110.db2.gz SDSQIHQEOGABQR-NSHDSACASA-N 1 2 295.387 1.655 20 30 CDEDLO CCN(CC)c1cc(N[C@@H](CC(C)C)C(=O)NO)nc[nH+]1 ZINC001163420467 939267112 /nfs/dbraw/zinc/26/71/12/939267112.db2.gz SDSQIHQEOGABQR-NSHDSACASA-N 1 2 295.387 1.655 20 30 CDEDLO N#Cc1ccc2c(c1)CCN(c1cc(N)nc[nH+]1)C2 ZINC001164484472 939478083 /nfs/dbraw/zinc/47/80/83/939478083.db2.gz IZDOBDSJKBZDGX-UHFFFAOYSA-N 1 2 251.293 1.493 20 30 CDEDLO N#Cc1cc2nc(N3CC[NH2+]CC(F)(F)C3)ccc2[nH]1 ZINC001164497912 939479647 /nfs/dbraw/zinc/47/96/47/939479647.db2.gz KSWJKUDVUDSYOP-UHFFFAOYSA-N 1 2 277.278 1.479 20 30 CDEDLO Cc1nc(N2CC[NH2+]CC(F)(F)C2)c(Cl)cc1C#N ZINC001164502426 939480071 /nfs/dbraw/zinc/48/00/71/939480071.db2.gz TVMLKKMKQYEDQV-UHFFFAOYSA-N 1 2 286.713 1.960 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1c1ccnc(Cc2ccccc2)n1 ZINC001164661732 939502653 /nfs/dbraw/zinc/50/26/53/939502653.db2.gz NNWLCKOCJMARTH-CQSZACIVSA-N 1 2 279.347 1.369 20 30 CDEDLO N#C[C@H]1CCC[N@H+](Cc2cn(-c3cnccn3)cn2)CC1 ZINC001238816014 945256888 /nfs/dbraw/zinc/25/68/88/945256888.db2.gz FNFCHBYMCRICAN-ZDUSSCGKSA-N 1 2 282.351 1.788 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](Cc2cn(-c3cnccn3)cn2)CC1 ZINC001238816014 945256893 /nfs/dbraw/zinc/25/68/93/945256893.db2.gz FNFCHBYMCRICAN-ZDUSSCGKSA-N 1 2 282.351 1.788 20 30 CDEDLO Cc1cncc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)n1 ZINC001203175633 939676616 /nfs/dbraw/zinc/67/66/16/939676616.db2.gz PLBWCJFHQXBDRO-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nncn2C)C[C@H]1C ZINC001206536940 940056135 /nfs/dbraw/zinc/05/61/35/940056135.db2.gz FYROJHOJOQDRKT-FRRDWIJNSA-N 1 2 291.399 1.279 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nncn2C)C[C@H]1C ZINC001206536940 940056138 /nfs/dbraw/zinc/05/61/38/940056138.db2.gz FYROJHOJOQDRKT-FRRDWIJNSA-N 1 2 291.399 1.279 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)cn2)C[C@H]1C ZINC001206537435 940056466 /nfs/dbraw/zinc/05/64/66/940056466.db2.gz UCTWAXOZTKNCAC-ZIAGYGMSSA-N 1 2 288.395 1.688 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ncc(C)cn2)C[C@H]1C ZINC001206537435 940056468 /nfs/dbraw/zinc/05/64/68/940056468.db2.gz UCTWAXOZTKNCAC-ZIAGYGMSSA-N 1 2 288.395 1.688 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000089946226 940390478 /nfs/dbraw/zinc/39/04/78/940390478.db2.gz JZAOYIBZZBXHJO-UHFFFAOYSA-N 1 2 257.312 1.448 20 30 CDEDLO C=CCCCC[N@@H+]1CCNC(=O)[C@H]1CC(=O)OCC ZINC001209202703 940446995 /nfs/dbraw/zinc/44/69/95/940446995.db2.gz NWNSHQVCUQEPTJ-GFCCVEGCSA-N 1 2 268.357 1.096 20 30 CDEDLO C=CCCCC[N@H+]1CCNC(=O)[C@H]1CC(=O)OCC ZINC001209202703 940446996 /nfs/dbraw/zinc/44/69/96/940446996.db2.gz NWNSHQVCUQEPTJ-GFCCVEGCSA-N 1 2 268.357 1.096 20 30 CDEDLO N#Cc1nc(N)c(Nc2ccc3[nH]c[nH+]c3c2)nc1C#N ZINC001209845329 940646231 /nfs/dbraw/zinc/64/62/31/940646231.db2.gz WSHXMNQOEMRSNP-UHFFFAOYSA-N 1 2 276.263 1.422 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001213389916 940771984 /nfs/dbraw/zinc/77/19/84/940771984.db2.gz LFTMRQRXDSKZOH-YRGRVCCFSA-N 1 2 272.364 1.374 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001213389916 940771990 /nfs/dbraw/zinc/77/19/90/940771990.db2.gz LFTMRQRXDSKZOH-YRGRVCCFSA-N 1 2 272.364 1.374 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@](C)(CC)CCC)[C@H](OC)C1 ZINC001213622866 940780696 /nfs/dbraw/zinc/78/06/96/940780696.db2.gz MATJDFHJTALKGB-IIAWOOMASA-N 1 2 280.412 1.651 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@](C)(CC)CCC)[C@H](OC)C1 ZINC001213622866 940780697 /nfs/dbraw/zinc/78/06/97/940780697.db2.gz MATJDFHJTALKGB-IIAWOOMASA-N 1 2 280.412 1.651 20 30 CDEDLO C#Cc1cc(Nc2ccc(OCCOC)nc2)cc[nH+]1 ZINC001216063300 940918761 /nfs/dbraw/zinc/91/87/61/940918761.db2.gz LZYTVHLFOFHPIF-UHFFFAOYSA-N 1 2 269.304 1.649 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001219689941 941379441 /nfs/dbraw/zinc/37/94/41/941379441.db2.gz QCGWWEIYGIEWRK-AMVTZNPPSA-N 1 2 298.814 1.669 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001219689941 941379443 /nfs/dbraw/zinc/37/94/43/941379443.db2.gz QCGWWEIYGIEWRK-AMVTZNPPSA-N 1 2 298.814 1.669 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001219720456 941383071 /nfs/dbraw/zinc/38/30/71/941383071.db2.gz NKOIWCITOPRQNH-ZBWCZXCSSA-N 1 2 272.776 1.257 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001219720456 941383072 /nfs/dbraw/zinc/38/30/72/941383072.db2.gz NKOIWCITOPRQNH-ZBWCZXCSSA-N 1 2 272.776 1.257 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CC(C)C)CCCC2)[C@@H](O)C1 ZINC001220558257 941453827 /nfs/dbraw/zinc/45/38/27/941453827.db2.gz RDEVTHUHQMJVIM-CABCVRRESA-N 1 2 292.423 1.387 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CC(C)C)CCCC2)[C@@H](O)C1 ZINC001220558257 941453829 /nfs/dbraw/zinc/45/38/29/941453829.db2.gz RDEVTHUHQMJVIM-CABCVRRESA-N 1 2 292.423 1.387 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCCOC)[C@@H]2C1 ZINC001221319875 941516361 /nfs/dbraw/zinc/51/63/61/941516361.db2.gz MJEMJFMAXYBPGR-CHWSQXEVSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCOC)[C@@H]2C1 ZINC001221319875 941516362 /nfs/dbraw/zinc/51/63/62/941516362.db2.gz MJEMJFMAXYBPGR-CHWSQXEVSA-N 1 2 286.803 1.698 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCc3nc(C(N)=O)ccc3C2)cc1 ZINC001276931100 941706756 /nfs/dbraw/zinc/70/67/56/941706756.db2.gz UEOIZEFMTUTFCD-UHFFFAOYSA-N 1 2 292.342 1.610 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCc3nc(C(N)=O)ccc3C2)cc1 ZINC001276931100 941706757 /nfs/dbraw/zinc/70/67/57/941706757.db2.gz UEOIZEFMTUTFCD-UHFFFAOYSA-N 1 2 292.342 1.610 20 30 CDEDLO C[N+](C)(C)C[C@@H](CC#N)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619701 941889873 /nfs/dbraw/zinc/88/98/73/941889873.db2.gz HHRCEDGQLDXUOD-SNVBAGLBSA-O 1 2 280.304 1.668 20 30 CDEDLO Cc1ccnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC001226118330 941953041 /nfs/dbraw/zinc/95/30/41/941953041.db2.gz JJLPIZUNYKQQPX-NJFCNUMCSA-N 1 2 291.307 1.289 20 30 CDEDLO Cc1ccnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC001226118330 941953044 /nfs/dbraw/zinc/95/30/44/941953044.db2.gz JJLPIZUNYKQQPX-NJFCNUMCSA-N 1 2 291.307 1.289 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4c[nH]nc4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226586041 942031235 /nfs/dbraw/zinc/03/12/35/942031235.db2.gz MAYLRSVBLYJSQZ-GAAPNJIFSA-N 1 2 271.320 1.554 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4c[nH]nc4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226586041 942031238 /nfs/dbraw/zinc/03/12/38/942031238.db2.gz MAYLRSVBLYJSQZ-GAAPNJIFSA-N 1 2 271.320 1.554 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc4ccc[n+]([O-])c43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227007041 942113496 /nfs/dbraw/zinc/11/34/96/942113496.db2.gz VKCZUTWLXIIFOG-DZZGSBJMSA-N 1 2 298.342 1.464 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc4ccc[n+]([O-])c43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227007041 942113499 /nfs/dbraw/zinc/11/34/99/942113499.db2.gz VKCZUTWLXIIFOG-DZZGSBJMSA-N 1 2 298.342 1.464 20 30 CDEDLO Cc1cc(=O)cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)[nH]1 ZINC001228121427 942270505 /nfs/dbraw/zinc/27/05/05/942270505.db2.gz KMZRZDPXSSPVIG-GQTXGERZSA-N 1 2 262.309 1.087 20 30 CDEDLO Cc1cc(=O)cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)[nH]1 ZINC001228121427 942270508 /nfs/dbraw/zinc/27/05/08/942270508.db2.gz KMZRZDPXSSPVIG-GQTXGERZSA-N 1 2 262.309 1.087 20 30 CDEDLO CC(C)[NH+]1CC(Oc2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC001229188904 942430001 /nfs/dbraw/zinc/43/00/01/942430001.db2.gz NHKZDAMFDBVAQG-UHFFFAOYSA-N 1 2 261.281 1.938 20 30 CDEDLO COCC[C@](C)(C#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001332539429 942644087 /nfs/dbraw/zinc/64/40/87/942644087.db2.gz XYMBOHPNXQWSCZ-WCQYABFASA-N 1 2 264.329 1.269 20 30 CDEDLO Cc1cc(C#N)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001230682945 942673369 /nfs/dbraw/zinc/67/33/69/942673369.db2.gz UBJJMYRCGXCDER-NQPNPBMCSA-N 1 2 270.332 1.858 20 30 CDEDLO Cc1cc(C#N)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001230682945 942673373 /nfs/dbraw/zinc/67/33/73/942673373.db2.gz UBJJMYRCGXCDER-NQPNPBMCSA-N 1 2 270.332 1.858 20 30 CDEDLO C#Cc1cccc(C[NH+]2CC(N3C[C@@H](C)O[C@@H](C)C3)C2)c1 ZINC001231663637 942967736 /nfs/dbraw/zinc/96/77/36/942967736.db2.gz OLTYXMBNUATUKF-GASCZTMLSA-N 1 2 284.403 1.961 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cccnc2OC(C)C)CC1 ZINC001231762461 943008454 /nfs/dbraw/zinc/00/84/54/943008454.db2.gz OOLAZOUYVPATIN-UHFFFAOYSA-N 1 2 273.380 1.620 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@]3(CCNC3=O)C2)c1 ZINC001232675293 943356093 /nfs/dbraw/zinc/35/60/93/943356093.db2.gz PQZGWBXRQXZOMM-INIZCTEOSA-N 1 2 285.347 1.366 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@]3(CCNC3=O)C2)c1 ZINC001232675293 943356097 /nfs/dbraw/zinc/35/60/97/943356097.db2.gz PQZGWBXRQXZOMM-INIZCTEOSA-N 1 2 285.347 1.366 20 30 CDEDLO COC(=O)c1cc(C[NH+]2CCC(C#N)CC2)ccn1 ZINC001232765901 943377330 /nfs/dbraw/zinc/37/73/30/943377330.db2.gz AXPJIFCKLGDLTQ-UHFFFAOYSA-N 1 2 259.309 1.604 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCCC2)n1 ZINC001232924814 943434107 /nfs/dbraw/zinc/43/41/07/943434107.db2.gz VFERAYWQONRWTI-INIZCTEOSA-N 1 2 298.390 1.930 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)n1 ZINC001232924814 943434111 /nfs/dbraw/zinc/43/41/11/943434111.db2.gz VFERAYWQONRWTI-INIZCTEOSA-N 1 2 298.390 1.930 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(F)c(O)c2F)CC1 ZINC001232937258 943440928 /nfs/dbraw/zinc/44/09/28/943440928.db2.gz LZKWYVAEWHVDDL-UHFFFAOYSA-N 1 2 266.291 1.421 20 30 CDEDLO CNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C)cc2C#N)C1 ZINC001232968068 943448240 /nfs/dbraw/zinc/44/82/40/943448240.db2.gz CPLQIHOADZAKSE-HNNXBMFYSA-N 1 2 286.379 1.760 20 30 CDEDLO CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C)cc2C#N)C1 ZINC001232968068 943448244 /nfs/dbraw/zinc/44/82/44/943448244.db2.gz CPLQIHOADZAKSE-HNNXBMFYSA-N 1 2 286.379 1.760 20 30 CDEDLO CCN(CC[NH+]1CCOCC1)Cc1[nH]ccc1C#N ZINC001233048119 943476114 /nfs/dbraw/zinc/47/61/14/943476114.db2.gz WJZWBNIKXLVQHJ-UHFFFAOYSA-N 1 2 262.357 1.040 20 30 CDEDLO CC[N@H+](CCN1CCOCC1)Cc1[nH]ccc1C#N ZINC001233048119 943476118 /nfs/dbraw/zinc/47/61/18/943476118.db2.gz WJZWBNIKXLVQHJ-UHFFFAOYSA-N 1 2 262.357 1.040 20 30 CDEDLO CC[N@@H+](CCN1CCOCC1)Cc1[nH]ccc1C#N ZINC001233048119 943476120 /nfs/dbraw/zinc/47/61/20/943476120.db2.gz WJZWBNIKXLVQHJ-UHFFFAOYSA-N 1 2 262.357 1.040 20 30 CDEDLO C[N@@H+](CCC#N)Cc1cc(Br)c[nH]c1=O ZINC001233182265 943505779 /nfs/dbraw/zinc/50/57/79/943505779.db2.gz GTDYKZCAOZQUBL-UHFFFAOYSA-N 1 2 270.130 1.895 20 30 CDEDLO C[N@H+](CCC#N)Cc1cc(Br)c[nH]c1=O ZINC001233182265 943505774 /nfs/dbraw/zinc/50/57/74/943505774.db2.gz GTDYKZCAOZQUBL-UHFFFAOYSA-N 1 2 270.130 1.895 20 30 CDEDLO Cn1c[nH+]cc1CCCOC(=O)c1ccc(C#N)o1 ZINC001263511061 943883545 /nfs/dbraw/zinc/88/35/45/943883545.db2.gz YRLKEIQIOSKOEI-UHFFFAOYSA-N 1 2 259.265 1.674 20 30 CDEDLO Cc1cc(CN2C[C@H]3C[C@@H](C2)[N@H+](CCC#N)C3)n(C)n1 ZINC001277938810 944130346 /nfs/dbraw/zinc/13/03/46/944130346.db2.gz FLHAQOSQJMAVIT-HIFRSBDPSA-N 1 2 273.384 1.148 20 30 CDEDLO Cc1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+](CCC#N)C3)n(C)n1 ZINC001277938810 944130348 /nfs/dbraw/zinc/13/03/48/944130348.db2.gz FLHAQOSQJMAVIT-HIFRSBDPSA-N 1 2 273.384 1.148 20 30 CDEDLO CC(C)NC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2CCC#N ZINC001277941824 944140877 /nfs/dbraw/zinc/14/08/77/944140877.db2.gz VKJGUZRQBPIPSX-RYUDHWBXSA-N 1 2 250.346 1.167 20 30 CDEDLO CC(C)NC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2CCC#N ZINC001277941824 944140881 /nfs/dbraw/zinc/14/08/81/944140881.db2.gz VKJGUZRQBPIPSX-RYUDHWBXSA-N 1 2 250.346 1.167 20 30 CDEDLO CCOC(=O)COc1cccc(C[N@@H+]2CC[C@H](C#N)C2)c1 ZINC001237918505 945008465 /nfs/dbraw/zinc/00/84/65/945008465.db2.gz JYTRBRAAKLSOLW-CQSZACIVSA-N 1 2 288.347 1.974 20 30 CDEDLO CCOC(=O)COc1cccc(C[N@H+]2CC[C@H](C#N)C2)c1 ZINC001237918505 945008476 /nfs/dbraw/zinc/00/84/76/945008476.db2.gz JYTRBRAAKLSOLW-CQSZACIVSA-N 1 2 288.347 1.974 20 30 CDEDLO CC[C@H](C(=O)NC1=NO[C@@H](C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001362431510 971265196 /nfs/dbraw/zinc/26/51/96/971265196.db2.gz WVDZPKIZHGRLPL-QJPTWQEYSA-N 1 2 283.372 1.114 20 30 CDEDLO CC[C@H](C(=O)NC1=NO[C@@H](C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC001362431510 971265206 /nfs/dbraw/zinc/26/52/06/971265206.db2.gz WVDZPKIZHGRLPL-QJPTWQEYSA-N 1 2 283.372 1.114 20 30 CDEDLO C=CCNC(=O)c1ccc(-c2c[nH+]c(N)c(C)c2)nc1 ZINC001245537630 947730420 /nfs/dbraw/zinc/73/04/20/947730420.db2.gz FIUKTKQXEHCYEL-UHFFFAOYSA-N 1 2 268.320 1.950 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CC[C@@H](Oc2nccnc2C)C1 ZINC001255176422 947765671 /nfs/dbraw/zinc/76/56/71/947765671.db2.gz BGSFCROVPMKIJL-CHWSQXEVSA-N 1 2 260.341 1.930 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CC[C@@H](Oc2nccnc2C)C1 ZINC001255176422 947765678 /nfs/dbraw/zinc/76/56/78/947765678.db2.gz BGSFCROVPMKIJL-CHWSQXEVSA-N 1 2 260.341 1.930 20 30 CDEDLO C=C[C@H]1C[C@@]1([NH2+]C1CCC2(CC1)OCCO2)C(=O)OCC ZINC001255617613 948033233 /nfs/dbraw/zinc/03/32/33/948033233.db2.gz PFSXWXSBDKYJDQ-LRDDRELGSA-N 1 2 295.379 1.770 20 30 CDEDLO COc1cccc2c1CC[C@@H](N1CC[NH2+]C[C@H]1C#N)C2 ZINC001256647679 948381453 /nfs/dbraw/zinc/38/14/53/948381453.db2.gz UMJFBSXACAIOPZ-ZIAGYGMSSA-N 1 2 271.364 1.350 20 30 CDEDLO CCOC(=O)CCC[C@H](C)[NH2+][C@@H](CS)C(=O)OCC ZINC001258101550 948702115 /nfs/dbraw/zinc/70/21/15/948702115.db2.gz RJJMVIIHDSJKMO-QWRGUYRKSA-N 1 2 291.413 1.559 20 30 CDEDLO CCc1cc(C#N)ccc1C[NH+]1CC(N(C)C(C)=O)C1 ZINC001248751707 949118942 /nfs/dbraw/zinc/11/89/42/949118942.db2.gz HFPQOAWHOWPQPF-UHFFFAOYSA-N 1 2 271.364 1.783 20 30 CDEDLO C=CCOC[C@H](O)C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC001252469903 951317257 /nfs/dbraw/zinc/31/72/57/951317257.db2.gz DOOQMYLQINGRMH-NWDGAFQWSA-N 1 2 273.373 1.212 20 30 CDEDLO C=CCOC[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC001252469903 951317246 /nfs/dbraw/zinc/31/72/46/951317246.db2.gz DOOQMYLQINGRMH-NWDGAFQWSA-N 1 2 273.373 1.212 20 30 CDEDLO C=CCOC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001252471380 951321445 /nfs/dbraw/zinc/32/14/45/951321445.db2.gz WZIWIDMJXJFCHQ-LSDHHAIUSA-N 1 2 278.352 1.018 20 30 CDEDLO C=CCOC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001252471380 951321460 /nfs/dbraw/zinc/32/14/60/951321460.db2.gz WZIWIDMJXJFCHQ-LSDHHAIUSA-N 1 2 278.352 1.018 20 30 CDEDLO C=CCOC[C@H](O)CNc1ccc2[nH+]cn(C)c2c1 ZINC001252475494 951332075 /nfs/dbraw/zinc/33/20/75/951332075.db2.gz LBTPQGZWWKSGGB-GFCCVEGCSA-N 1 2 261.325 1.549 20 30 CDEDLO C=C[C@@](C)(O)C[NH2+][C@@H](CCSC)C(=O)OCC ZINC001252575493 951466523 /nfs/dbraw/zinc/46/65/23/951466523.db2.gz CNLTVBHASPATEU-CMPLNLGQSA-N 1 2 261.387 1.198 20 30 CDEDLO C=CCCCCCC[C@@H](O)C[N@@H+]1CCO[C@H](C(=O)OC)C1 ZINC001253234328 951821686 /nfs/dbraw/zinc/82/16/86/951821686.db2.gz ZCXQCSOTTFWWMK-CABCVRRESA-N 1 2 299.411 1.748 20 30 CDEDLO C=CCCCCCC[C@@H](O)C[N@H+]1CCO[C@H](C(=O)OC)C1 ZINC001253234328 951821689 /nfs/dbraw/zinc/82/16/89/951821689.db2.gz ZCXQCSOTTFWWMK-CABCVRRESA-N 1 2 299.411 1.748 20 30 CDEDLO C=C[C@H](O)CNc1[nH+]cnc2[nH]cc(Br)c21 ZINC001253571209 951957324 /nfs/dbraw/zinc/95/73/24/951957324.db2.gz BTPKJEAQZLLGPZ-LURJTMIESA-N 1 2 283.129 1.631 20 30 CDEDLO C=C[C@@H](O)CNc1[nH+]c2ccccc2n1CCNC(C)=O ZINC001253573123 951959751 /nfs/dbraw/zinc/95/97/51/951959751.db2.gz RLJAQIDXQLSPEW-GFCCVEGCSA-N 1 2 288.351 1.131 20 30 CDEDLO C=C[C@H](O)C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC001253584916 951974904 /nfs/dbraw/zinc/97/49/04/951974904.db2.gz SLGDAUPZMRRROE-UONOGXRCSA-N 1 2 261.321 1.133 20 30 CDEDLO C=C[C@H](O)C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC001253584916 951974907 /nfs/dbraw/zinc/97/49/07/951974907.db2.gz SLGDAUPZMRRROE-UONOGXRCSA-N 1 2 261.321 1.133 20 30 CDEDLO C=CC[C@H](NCc1c[nH+]cn1CC)C(=O)OCC ZINC001325365984 953862476 /nfs/dbraw/zinc/86/24/76/953862476.db2.gz HOTIXCKCEHCWKU-LBPRGKRZSA-N 1 2 251.330 1.500 20 30 CDEDLO N#Cc1cccc([C@H](O)C[NH+]2CCN(CC(F)F)CC2)c1 ZINC001364325267 954466432 /nfs/dbraw/zinc/46/64/32/954466432.db2.gz ZMZKXKAEFHZBSE-CQSZACIVSA-N 1 2 295.333 1.474 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cnccn1)C1CC1 ZINC001493342643 972023617 /nfs/dbraw/zinc/02/36/17/972023617.db2.gz WMIHAQBMYGPETE-UHFFFAOYSA-N 1 2 280.759 1.423 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cnccn1)C1CC1 ZINC001493342643 972023622 /nfs/dbraw/zinc/02/36/22/972023622.db2.gz WMIHAQBMYGPETE-UHFFFAOYSA-N 1 2 280.759 1.423 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cccc(C(=O)OC)c2)nn1 ZINC001328040708 955170039 /nfs/dbraw/zinc/17/00/39/955170039.db2.gz CPJUWAWPURGVQK-UHFFFAOYSA-N 1 2 286.335 1.541 20 30 CDEDLO N#C[C@@H]1CC[C@H]([NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)C1 ZINC001329113982 955695366 /nfs/dbraw/zinc/69/53/66/955695366.db2.gz LRBDOZLVCDTPBO-OUAUKWLOSA-N 1 2 261.329 1.438 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ncc(F)cc1F ZINC001492305168 955788843 /nfs/dbraw/zinc/78/88/43/955788843.db2.gz JHEJPWYQOOEBCN-UHFFFAOYSA-N 1 2 289.713 1.774 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ncc(F)cc1F ZINC001492305168 955788851 /nfs/dbraw/zinc/78/88/51/955788851.db2.gz JHEJPWYQOOEBCN-UHFFFAOYSA-N 1 2 289.713 1.774 20 30 CDEDLO N#Cc1cc(F)cc(NC(=O)NCc2ccc(N)[nH+]c2)c1 ZINC001366391678 956790576 /nfs/dbraw/zinc/79/05/76/956790576.db2.gz KKOUTRMEHPTIRX-UHFFFAOYSA-N 1 2 285.282 1.996 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnn(CC(C)C)c1 ZINC001366580932 956988609 /nfs/dbraw/zinc/98/86/09/956988609.db2.gz YQJIWMORQKTGAG-UHFFFAOYSA-N 1 2 298.818 1.953 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnn(CC(C)C)c1 ZINC001366580932 956988613 /nfs/dbraw/zinc/98/86/13/956988613.db2.gz YQJIWMORQKTGAG-UHFFFAOYSA-N 1 2 298.818 1.953 20 30 CDEDLO CC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1nc(C)sc1C ZINC001366602143 957021624 /nfs/dbraw/zinc/02/16/24/957021624.db2.gz AMLHKFZXAHFTGZ-SNVBAGLBSA-N 1 2 294.424 1.858 20 30 CDEDLO CC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1nc(C)sc1C ZINC001366602143 957021640 /nfs/dbraw/zinc/02/16/40/957021640.db2.gz AMLHKFZXAHFTGZ-SNVBAGLBSA-N 1 2 294.424 1.858 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](OC)C1CC1 ZINC001366605485 957025824 /nfs/dbraw/zinc/02/58/24/957025824.db2.gz FDJRFDVAIHRFMH-GFCCVEGCSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](OC)C1CC1 ZINC001366605485 957025838 /nfs/dbraw/zinc/02/58/38/957025838.db2.gz FDJRFDVAIHRFMH-GFCCVEGCSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCc1cncn1C ZINC001425054514 957456776 /nfs/dbraw/zinc/45/67/76/957456776.db2.gz WKZFNNSFBFFDHW-GFCCVEGCSA-N 1 2 298.818 1.542 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCc1cncn1C ZINC001425054514 957456780 /nfs/dbraw/zinc/45/67/80/957456780.db2.gz WKZFNNSFBFFDHW-GFCCVEGCSA-N 1 2 298.818 1.542 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(C(=O)OC)CC1 ZINC001318298071 958021018 /nfs/dbraw/zinc/02/10/18/958021018.db2.gz SIKRXKRTEYVIIW-UHFFFAOYSA-N 1 2 297.399 1.185 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(C(=O)OC)CC1 ZINC001318298071 958021032 /nfs/dbraw/zinc/02/10/32/958021032.db2.gz SIKRXKRTEYVIIW-UHFFFAOYSA-N 1 2 297.399 1.185 20 30 CDEDLO C=CCn1cnn(C[N@H+](CC)C[C@@H]2CCOC2)c1=S ZINC001318755572 958253762 /nfs/dbraw/zinc/25/37/62/958253762.db2.gz VIHVWLQQQASCON-LBPRGKRZSA-N 1 2 282.413 1.916 20 30 CDEDLO C=CCn1cnn(C[N@@H+](CC)C[C@@H]2CCOC2)c1=S ZINC001318755572 958253772 /nfs/dbraw/zinc/25/37/72/958253772.db2.gz VIHVWLQQQASCON-LBPRGKRZSA-N 1 2 282.413 1.916 20 30 CDEDLO C#CCOCC[N@@H+](C)[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC001336067056 960186895 /nfs/dbraw/zinc/18/68/95/960186895.db2.gz NHDNRIOVTLCTTH-AWEZNQCLSA-N 1 2 284.363 1.910 20 30 CDEDLO C#CCOCC[N@H+](C)[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC001336067056 960186901 /nfs/dbraw/zinc/18/69/01/960186901.db2.gz NHDNRIOVTLCTTH-AWEZNQCLSA-N 1 2 284.363 1.910 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC001323547794 960807927 /nfs/dbraw/zinc/80/79/27/960807927.db2.gz GKPXCRBQKVHVLX-CYBMUJFWSA-N 1 2 292.383 1.203 20 30 CDEDLO C[N@@H+](Cc1cc(C#N)ccn1)Cc1cccc(=O)[nH]1 ZINC001560170424 960873256 /nfs/dbraw/zinc/87/32/56/960873256.db2.gz KGKIZIAPMLJVEH-UHFFFAOYSA-N 1 2 254.293 1.686 20 30 CDEDLO C[N@H+](Cc1cc(C#N)ccn1)Cc1cccc(=O)[nH]1 ZINC001560170424 960873264 /nfs/dbraw/zinc/87/32/64/960873264.db2.gz KGKIZIAPMLJVEH-UHFFFAOYSA-N 1 2 254.293 1.686 20 30 CDEDLO CCOCC[NH+]1CCN(C(=O)c2csc(C#N)c2)CC1 ZINC001324355963 961327886 /nfs/dbraw/zinc/32/78/86/961327886.db2.gz CBNZRPKYTNHSJD-UHFFFAOYSA-N 1 2 293.392 1.414 20 30 CDEDLO C=C1CCN(c2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)CC1 ZINC001337850683 961468283 /nfs/dbraw/zinc/46/82/83/961468283.db2.gz CXZWBRSKHXDUGT-KBPBESRZSA-N 1 2 288.395 1.840 20 30 CDEDLO C=C1CCN(c2cc(N3CC[C@H]([C@H](C)O)C3)nc[nH+]2)CC1 ZINC001337850683 961468288 /nfs/dbraw/zinc/46/82/88/961468288.db2.gz CXZWBRSKHXDUGT-KBPBESRZSA-N 1 2 288.395 1.840 20 30 CDEDLO CCC[N@H+](CC1(CC#N)CC1)[C@@H](COC)C(=O)OCC ZINC001434488718 961520829 /nfs/dbraw/zinc/52/08/29/961520829.db2.gz ZOGFGFBLQRWHSF-ZDUSSCGKSA-N 1 2 282.384 1.970 20 30 CDEDLO CCC[N@@H+](CC1(CC#N)CC1)[C@@H](COC)C(=O)OCC ZINC001434488718 961520845 /nfs/dbraw/zinc/52/08/45/961520845.db2.gz ZOGFGFBLQRWHSF-ZDUSSCGKSA-N 1 2 282.384 1.970 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)Nc3nn(C)cc3C#N)ccn12 ZINC001435359830 962053361 /nfs/dbraw/zinc/05/33/61/962053361.db2.gz LDTBALZUEZIGNF-UHFFFAOYSA-N 1 2 280.291 1.500 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CC1(COC)CC1 ZINC001420217893 962594952 /nfs/dbraw/zinc/59/49/52/962594952.db2.gz COPTXEKSIHYHHE-UHFFFAOYSA-N 1 2 274.792 1.604 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CC1(COC)CC1 ZINC001420217893 962594963 /nfs/dbraw/zinc/59/49/63/962594963.db2.gz COPTXEKSIHYHHE-UHFFFAOYSA-N 1 2 274.792 1.604 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C1=COCCC1 ZINC001420532288 963020497 /nfs/dbraw/zinc/02/04/97/963020497.db2.gz AQKRXZDGSVQCAR-NSHDSACASA-N 1 2 272.776 1.870 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1ccoc1C(=O)OC ZINC001341258085 963342139 /nfs/dbraw/zinc/34/21/39/963342139.db2.gz NZKPFNMUQYROGX-UHFFFAOYSA-N 1 2 251.282 1.148 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1ccoc1C(=O)OC ZINC001341258085 963342144 /nfs/dbraw/zinc/34/21/44/963342144.db2.gz NZKPFNMUQYROGX-UHFFFAOYSA-N 1 2 251.282 1.148 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@H]1CCCOC1 ZINC001438934875 963606764 /nfs/dbraw/zinc/60/67/64/963606764.db2.gz OSVHCJUHFGOSPT-CYBMUJFWSA-N 1 2 288.819 1.946 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@H]1CCCOC1 ZINC001438934875 963606768 /nfs/dbraw/zinc/60/67/68/963606768.db2.gz OSVHCJUHFGOSPT-CYBMUJFWSA-N 1 2 288.819 1.946 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cnns1 ZINC001439302749 963707598 /nfs/dbraw/zinc/70/75/98/963707598.db2.gz MOIRDCQVTSJSDG-QMMMGPOBSA-N 1 2 274.777 1.341 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cnns1 ZINC001439302749 963707604 /nfs/dbraw/zinc/70/76/04/963707604.db2.gz MOIRDCQVTSJSDG-QMMMGPOBSA-N 1 2 274.777 1.341 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnnn1CC ZINC001440910028 964247126 /nfs/dbraw/zinc/24/71/26/964247126.db2.gz HVSUZBYVQSIUCV-JTQLQIEISA-N 1 2 285.779 1.101 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnnn1CC ZINC001440910028 964247136 /nfs/dbraw/zinc/24/71/36/964247136.db2.gz HVSUZBYVQSIUCV-JTQLQIEISA-N 1 2 285.779 1.101 20 30 CDEDLO C#CCN(C)c1nnc(C[NH+]2CCCCC2)n1CC1CC1 ZINC001346038166 964895412 /nfs/dbraw/zinc/89/54/12/964895412.db2.gz FQRUNBZKCMYFMV-UHFFFAOYSA-N 1 2 287.411 1.743 20 30 CDEDLO COc1ccc(CC[NH+]2CC(NC(=O)[C@@H](C)C#N)C2)cc1 ZINC001443457701 965476642 /nfs/dbraw/zinc/47/66/42/965476642.db2.gz GNHUCRSITFPJJM-LBPRGKRZSA-N 1 2 287.363 1.198 20 30 CDEDLO CCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001446023538 966422711 /nfs/dbraw/zinc/42/27/11/966422711.db2.gz YPKQWUDRYFFSRW-CQSZACIVSA-N 1 2 287.363 1.667 20 30 CDEDLO CCC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001446023538 966422713 /nfs/dbraw/zinc/42/27/13/966422713.db2.gz YPKQWUDRYFFSRW-CQSZACIVSA-N 1 2 287.363 1.667 20 30 CDEDLO C=CCNC(=S)NCc1c[nH+]c2ccc(C)cn12 ZINC001200296019 967869441 /nfs/dbraw/zinc/86/94/41/967869441.db2.gz YAWJBTJYDJQOPP-UHFFFAOYSA-N 1 2 260.366 1.793 20 30 CDEDLO CCN(CCNC(=O)[C@H](C)C#N)c1nc(C)[nH+]c(C)c1C ZINC001100471771 968439167 /nfs/dbraw/zinc/43/91/67/968439167.db2.gz QBPCPMSAFNCKIY-SNVBAGLBSA-N 1 2 289.383 1.504 20 30 CDEDLO CN(C(=O)c1cccc2[nH+]ccn21)c1ccc(C#N)nc1 ZINC001527339367 968672532 /nfs/dbraw/zinc/67/25/32/968672532.db2.gz FZFPBNMHNAMRGS-UHFFFAOYSA-N 1 2 277.287 1.878 20 30 CDEDLO Cc1cccn2cc(CCNc3ccnc(C#N)n3)[nH+]c12 ZINC001458222539 969270884 /nfs/dbraw/zinc/27/08/84/969270884.db2.gz QQMYADVMDCBWME-UHFFFAOYSA-N 1 2 278.319 1.381 20 30 CDEDLO CCC[N@@H+](CC(=O)OC)C[C@H](O)c1cccc(C#N)c1 ZINC001459958771 969464248 /nfs/dbraw/zinc/46/42/48/969464248.db2.gz AYGHJZDOECLCGB-AWEZNQCLSA-N 1 2 276.336 1.477 20 30 CDEDLO CCC[N@H+](CC(=O)OC)C[C@H](O)c1cccc(C#N)c1 ZINC001459958771 969464250 /nfs/dbraw/zinc/46/42/50/969464250.db2.gz AYGHJZDOECLCGB-AWEZNQCLSA-N 1 2 276.336 1.477 20 30 CDEDLO COCC#CC(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001358483115 969744088 /nfs/dbraw/zinc/74/40/88/969744088.db2.gz CLAVWRKQRUSYEJ-AWEZNQCLSA-N 1 2 292.766 1.463 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001465975896 969910194 /nfs/dbraw/zinc/91/01/94/969910194.db2.gz CHPOMKASXBDLRB-UHFFFAOYSA-N 1 2 279.303 1.773 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1nccnc1N)C1CC1 ZINC001372776735 973136959 /nfs/dbraw/zinc/13/69/59/973136959.db2.gz LMEJIIUEXURUEC-UHFFFAOYSA-N 1 2 295.774 1.006 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1nccnc1N)C1CC1 ZINC001372776735 973136966 /nfs/dbraw/zinc/13/69/66/973136966.db2.gz LMEJIIUEXURUEC-UHFFFAOYSA-N 1 2 295.774 1.006 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1snnc1C ZINC001377118961 974891542 /nfs/dbraw/zinc/89/15/42/974891542.db2.gz XCAQOERQPFLYLZ-UHFFFAOYSA-N 1 2 274.777 1.261 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1snnc1C ZINC001377118961 974891544 /nfs/dbraw/zinc/89/15/44/974891544.db2.gz XCAQOERQPFLYLZ-UHFFFAOYSA-N 1 2 274.777 1.261 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1cnn(C)c1 ZINC001378007410 975202702 /nfs/dbraw/zinc/20/27/02/975202702.db2.gz ZJTPULCPJXUMSJ-NSHDSACASA-N 1 2 284.791 1.152 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1cnn(C)c1 ZINC001378007410 975202706 /nfs/dbraw/zinc/20/27/06/975202706.db2.gz ZJTPULCPJXUMSJ-NSHDSACASA-N 1 2 284.791 1.152 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccc(F)cn1 ZINC001401363341 975619916 /nfs/dbraw/zinc/61/99/16/975619916.db2.gz PDMZRXKPOIMNDU-UHFFFAOYSA-N 1 2 285.750 1.977 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccc(F)cn1 ZINC001401363341 975619922 /nfs/dbraw/zinc/61/99/22/975619922.db2.gz PDMZRXKPOIMNDU-UHFFFAOYSA-N 1 2 285.750 1.977 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cnn2cc[nH]c12 ZINC001379792013 976081140 /nfs/dbraw/zinc/08/11/40/976081140.db2.gz ZFVSDKZVZMJVBZ-JTQLQIEISA-N 1 2 295.774 1.465 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cnn2cc[nH]c12 ZINC001379792013 976081155 /nfs/dbraw/zinc/08/11/55/976081155.db2.gz ZFVSDKZVZMJVBZ-JTQLQIEISA-N 1 2 295.774 1.465 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)COCC ZINC001402718498 976451962 /nfs/dbraw/zinc/45/19/62/976451962.db2.gz SNASXDCJLRGHCY-LBPRGKRZSA-N 1 2 274.792 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)COCC ZINC001402718498 976451965 /nfs/dbraw/zinc/45/19/65/976451965.db2.gz SNASXDCJLRGHCY-LBPRGKRZSA-N 1 2 274.792 1.746 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1CCCCO1)C1CC1 ZINC001391159436 976736149 /nfs/dbraw/zinc/73/61/49/976736149.db2.gz NEDRDRLMGXKXEE-ZDUSSCGKSA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1CCCCO1)C1CC1 ZINC001391159436 976736160 /nfs/dbraw/zinc/73/61/60/976736160.db2.gz NEDRDRLMGXKXEE-ZDUSSCGKSA-N 1 2 286.803 1.889 20 30 CDEDLO CC#CCCCC(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001132591302 1163393383 /nfs/dbraw/zinc/39/33/83/1163393383.db2.gz LOTQWKIMEYQBFO-UHFFFAOYSA-N 1 2 290.367 1.346 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[NH2+]Cc1nn(C)cc1Cl ZINC001132660738 1163429023 /nfs/dbraw/zinc/42/90/23/1163429023.db2.gz RYEHOJLKXXUTRJ-NSHDSACASA-N 1 2 298.818 1.882 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@H](CC[NH2+]Cc2c[nH]nn2)C1 ZINC001575062496 1171100759 /nfs/dbraw/zinc/10/07/59/1171100759.db2.gz SPKMBMWVXGLQIE-LBPRGKRZSA-N 1 2 291.399 1.345 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@H](CC[NH2+]Cc2cn[nH]n2)C1 ZINC001575062496 1171100760 /nfs/dbraw/zinc/10/07/60/1171100760.db2.gz SPKMBMWVXGLQIE-LBPRGKRZSA-N 1 2 291.399 1.345 20 30 CDEDLO C=CCCC(=O)N1CCC[C@H](C[NH2+]Cc2cn[nH]n2)C1 ZINC001575085013 1171107620 /nfs/dbraw/zinc/10/76/20/1171107620.db2.gz CZIQQCCPEFTKCM-GFCCVEGCSA-N 1 2 277.372 1.099 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1ccccc1Cl ZINC000589827831 342514899 /nfs/dbraw/zinc/51/48/99/342514899.db2.gz PCGBSAJKPISTRA-CQSZACIVSA-N 1 2 295.770 1.679 20 30 CDEDLO N#CCc1ccccc1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000601309899 342551697 /nfs/dbraw/zinc/55/16/97/342551697.db2.gz KTURKDGPYLVBBJ-OAHLLOKOSA-N 1 2 299.374 1.299 20 30 CDEDLO Cc1ccc(C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)nc1 ZINC000590754297 342587884 /nfs/dbraw/zinc/58/78/84/342587884.db2.gz RBIUPRMHXOSKBM-INIZCTEOSA-N 1 2 288.395 1.876 20 30 CDEDLO Cc1ccc(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)nc1 ZINC000590754297 342587885 /nfs/dbraw/zinc/58/78/85/342587885.db2.gz RBIUPRMHXOSKBM-INIZCTEOSA-N 1 2 288.395 1.876 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)N1CCc2ccccc2C1 ZINC000609030845 342087572 /nfs/dbraw/zinc/08/75/72/342087572.db2.gz OLQODJFHWGHVML-QWHCGFSZSA-N 1 2 271.364 1.852 20 30 CDEDLO COC[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1ccco1 ZINC000565303663 365624953 /nfs/dbraw/zinc/62/49/53/365624953.db2.gz UQFYXXQSFPBUKF-ZDUSSCGKSA-N 1 2 297.318 1.671 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](OC)C1 ZINC000083170589 178349211 /nfs/dbraw/zinc/34/92/11/178349211.db2.gz PABKGNIPLNXBMY-CABCVRRESA-N 1 2 288.347 1.883 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](OC)C1 ZINC000083170589 178349214 /nfs/dbraw/zinc/34/92/14/178349214.db2.gz PABKGNIPLNXBMY-CABCVRRESA-N 1 2 288.347 1.883 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000087832701 361826680 /nfs/dbraw/zinc/82/66/80/361826680.db2.gz AYPYIGJRVKBHFA-ZDUSSCGKSA-N 1 2 274.320 1.704 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000087832701 361826683 /nfs/dbraw/zinc/82/66/83/361826683.db2.gz AYPYIGJRVKBHFA-ZDUSSCGKSA-N 1 2 274.320 1.704 20 30 CDEDLO Cc1cccn2cc(CCNC(=O)NC[C@@H](C)C#N)[nH+]c12 ZINC000611626738 346833165 /nfs/dbraw/zinc/83/31/65/346833165.db2.gz RRZHXEBHDYOYSN-NSHDSACASA-N 1 2 285.351 1.644 20 30 CDEDLO Cc1cn2c([nH+]1)CN(c1ncc3c(c1C#N)CCC3)CC2 ZINC000591823685 342647655 /nfs/dbraw/zinc/64/76/55/342647655.db2.gz IXVJLPUUUPIYFD-UHFFFAOYSA-N 1 2 279.347 1.967 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000592204907 342677076 /nfs/dbraw/zinc/67/70/76/342677076.db2.gz BGBOUJSWVIXCGJ-QWHCGFSZSA-N 1 2 292.310 1.053 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000592204907 342677078 /nfs/dbraw/zinc/67/70/78/342677078.db2.gz BGBOUJSWVIXCGJ-QWHCGFSZSA-N 1 2 292.310 1.053 20 30 CDEDLO C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147728 342668114 /nfs/dbraw/zinc/66/81/14/342668114.db2.gz RNTLFOJDHLMGKG-DOMZBBRYSA-N 1 2 298.350 1.074 20 30 CDEDLO C[C@H](c1nnnn1-c1ccccc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147728 342668115 /nfs/dbraw/zinc/66/81/15/342668115.db2.gz RNTLFOJDHLMGKG-DOMZBBRYSA-N 1 2 298.350 1.074 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cncc(Br)c2)C1 ZINC000592150942 342668832 /nfs/dbraw/zinc/66/88/32/342668832.db2.gz KBKTWXMXLIRQGZ-LBPRGKRZSA-N 1 2 296.168 1.695 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cncc(Br)c2)C1 ZINC000592150942 342668833 /nfs/dbraw/zinc/66/88/33/342668833.db2.gz KBKTWXMXLIRQGZ-LBPRGKRZSA-N 1 2 296.168 1.695 20 30 CDEDLO COc1cccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)c1F ZINC000592522871 342702306 /nfs/dbraw/zinc/70/23/06/342702306.db2.gz SEMPGMTXJZSKSU-AWEZNQCLSA-N 1 2 264.300 1.685 20 30 CDEDLO COc1cccc(C[N@H+]2CC[C@@](O)(CC#N)C2)c1F ZINC000592522871 342702307 /nfs/dbraw/zinc/70/23/07/342702307.db2.gz SEMPGMTXJZSKSU-AWEZNQCLSA-N 1 2 264.300 1.685 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)[C@H](C)CO1 ZINC000593061478 342760860 /nfs/dbraw/zinc/76/08/60/342760860.db2.gz BZMKLKMETRRCKX-ZIAGYGMSSA-N 1 2 293.411 1.828 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)[C@H](C)CO1 ZINC000593061478 342760862 /nfs/dbraw/zinc/76/08/62/342760862.db2.gz BZMKLKMETRRCKX-ZIAGYGMSSA-N 1 2 293.411 1.828 20 30 CDEDLO CC[C@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)[C@@H](C)CO1 ZINC000593061475 342760913 /nfs/dbraw/zinc/76/09/13/342760913.db2.gz BZMKLKMETRRCKX-KBPBESRZSA-N 1 2 293.411 1.828 20 30 CDEDLO CC[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)[C@@H](C)CO1 ZINC000593061475 342760915 /nfs/dbraw/zinc/76/09/15/342760915.db2.gz BZMKLKMETRRCKX-KBPBESRZSA-N 1 2 293.411 1.828 20 30 CDEDLO CC[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)[C@@H](C)CO1 ZINC000593666722 342820618 /nfs/dbraw/zinc/82/06/18/342820618.db2.gz QIUFBRIEJIHSTL-SMDDNHRTSA-N 1 2 285.351 1.600 20 30 CDEDLO CC[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)[C@@H](C)CO1 ZINC000593666722 342820619 /nfs/dbraw/zinc/82/06/19/342820619.db2.gz QIUFBRIEJIHSTL-SMDDNHRTSA-N 1 2 285.351 1.600 20 30 CDEDLO N#Cc1cc(F)c(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c(F)c1 ZINC000593507412 342804400 /nfs/dbraw/zinc/80/44/00/342804400.db2.gz HWXFTZMNJLGJAQ-LLVKDONJSA-N 1 2 279.290 1.092 20 30 CDEDLO N#Cc1cc(F)c(N2CC([N@H+]3CC[C@@H](O)C3)C2)c(F)c1 ZINC000593507412 342804402 /nfs/dbraw/zinc/80/44/02/342804402.db2.gz HWXFTZMNJLGJAQ-LLVKDONJSA-N 1 2 279.290 1.092 20 30 CDEDLO C[C@H](C#N)CN(C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000079485220 342208143 /nfs/dbraw/zinc/20/81/43/342208143.db2.gz KSDCZAMEQJDNBG-GFCCVEGCSA-N 1 2 289.383 1.563 20 30 CDEDLO Cc1nccnc1N1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000593985642 342860648 /nfs/dbraw/zinc/86/06/48/342860648.db2.gz IXIXRHUBOYHTMD-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000684783143 539095748 /nfs/dbraw/zinc/09/57/48/539095748.db2.gz TZHLXDSMGNYFOD-ZFWWWQNUSA-N 1 2 277.368 1.761 20 30 CDEDLO CNC(=O)N1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC000599330121 344020506 /nfs/dbraw/zinc/02/05/06/344020506.db2.gz HELSIRZFZINQBN-UHFFFAOYSA-N 1 2 272.352 1.324 20 30 CDEDLO CC[N@H+](CCc1nnn(C(C)(C)C)n1)C[C@@H](C)C#N ZINC000595307565 343031586 /nfs/dbraw/zinc/03/15/86/343031586.db2.gz VOTRAABFGYVBAW-NSHDSACASA-N 1 2 264.377 1.452 20 30 CDEDLO CC[N@@H+](CCc1nnn(C(C)(C)C)n1)C[C@@H](C)C#N ZINC000595307565 343031588 /nfs/dbraw/zinc/03/15/88/343031588.db2.gz VOTRAABFGYVBAW-NSHDSACASA-N 1 2 264.377 1.452 20 30 CDEDLO CC1(C#N)CN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000619510421 349782004 /nfs/dbraw/zinc/78/20/04/349782004.db2.gz PJBMUZHEPJYZNE-UHFFFAOYSA-N 1 2 299.374 1.504 20 30 CDEDLO CC#CC[NH+]1CCN(c2nc(CC)ns2)CC1 ZINC000076062320 342318234 /nfs/dbraw/zinc/31/82/34/342318234.db2.gz URFRNEBZEYHGLZ-UHFFFAOYSA-N 1 2 250.371 1.246 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H](CC#N)C1 ZINC000595444658 343063255 /nfs/dbraw/zinc/06/32/55/343063255.db2.gz PGUJXAGAFHXLSZ-ZIAGYGMSSA-N 1 2 294.399 1.042 20 30 CDEDLO N#CC[C@@H]1CCCN(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000595466717 343071570 /nfs/dbraw/zinc/07/15/70/343071570.db2.gz KMDXPKAIKZENBJ-AWEZNQCLSA-N 1 2 289.383 1.999 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCn2c[nH+]cc2C1 ZINC000595494741 343076895 /nfs/dbraw/zinc/07/68/95/343076895.db2.gz MXLRSCMRCRUJHD-SWLSCSKDSA-N 1 2 289.383 1.142 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2cnccn2)C1 ZINC000595622853 343111430 /nfs/dbraw/zinc/11/14/30/343111430.db2.gz FBXZMNIYFAMTHN-LLVKDONJSA-N 1 2 259.313 1.041 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2cnccn2)C1 ZINC000595622853 343111431 /nfs/dbraw/zinc/11/14/31/343111431.db2.gz FBXZMNIYFAMTHN-LLVKDONJSA-N 1 2 259.313 1.041 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC2(CCCC2=O)CC1 ZINC000595821563 343166606 /nfs/dbraw/zinc/16/66/06/343166606.db2.gz YTYJWSUPMDZTPV-NSHDSACASA-N 1 2 251.326 1.549 20 30 CDEDLO N#Cc1cnnc(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000596070727 343225219 /nfs/dbraw/zinc/22/52/19/343225219.db2.gz SOQOJVBZJFWMRD-UHFFFAOYSA-N 1 2 266.308 1.509 20 30 CDEDLO Cc1n[nH]c(C)c1CCNc1cc(C)[nH+]cc1C#N ZINC000596258653 343277201 /nfs/dbraw/zinc/27/72/01/343277201.db2.gz LVSLCOZZKGYSHX-UHFFFAOYSA-N 1 2 255.325 1.678 20 30 CDEDLO Cc1cc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c(C#N)cn1 ZINC000596434036 343320280 /nfs/dbraw/zinc/32/02/80/343320280.db2.gz WSEOLQAYPVWWLQ-STQMWFEESA-N 1 2 274.368 1.205 20 30 CDEDLO Cc1cc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c(C#N)cn1 ZINC000596434036 343320282 /nfs/dbraw/zinc/32/02/82/343320282.db2.gz WSEOLQAYPVWWLQ-STQMWFEESA-N 1 2 274.368 1.205 20 30 CDEDLO COCC[C@H](C)O[NH+]=C(N)COc1ccccc1 ZINC000088509715 342386326 /nfs/dbraw/zinc/38/63/26/342386326.db2.gz QBYBFDXISIFWQZ-NSHDSACASA-N 1 2 252.314 1.779 20 30 CDEDLO COC[C@@](C)([NH2+]CCCCC(C)(C)C#N)C(=O)OC ZINC000444688230 362198613 /nfs/dbraw/zinc/19/86/13/362198613.db2.gz YCDHMAMCOLMXQJ-CQSZACIVSA-N 1 2 270.373 1.874 20 30 CDEDLO CC(C)(C)[C@@H](C#N)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000597350522 343509447 /nfs/dbraw/zinc/50/94/47/343509447.db2.gz KKEILKGIKYKVKB-ZYHUDNBSSA-N 1 2 260.341 1.500 20 30 CDEDLO CC[C@H](C#N)C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000597622366 343580283 /nfs/dbraw/zinc/58/02/83/343580283.db2.gz WDMVCWLKTKMWKQ-LLVKDONJSA-N 1 2 291.355 1.221 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](CNC(=O)CCC)C1 ZINC000619717172 349867735 /nfs/dbraw/zinc/86/77/35/349867735.db2.gz FFNFCFKVWKWXSA-OLZOCXBDSA-N 1 2 282.384 1.342 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](CNC(=O)CCC)C1 ZINC000619717172 349867739 /nfs/dbraw/zinc/86/77/39/349867739.db2.gz FFNFCFKVWKWXSA-OLZOCXBDSA-N 1 2 282.384 1.342 20 30 CDEDLO C=C[C@H](C(=O)OC)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000619718718 349868954 /nfs/dbraw/zinc/86/89/54/349868954.db2.gz YKNKHSYFDWICJT-DZGCQCFKSA-N 1 2 289.379 1.488 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000598612591 343842085 /nfs/dbraw/zinc/84/20/85/343842085.db2.gz YMRMNZXLYLNUBS-MNOVXSKESA-N 1 2 294.355 1.255 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000598612591 343842087 /nfs/dbraw/zinc/84/20/87/343842087.db2.gz YMRMNZXLYLNUBS-MNOVXSKESA-N 1 2 294.355 1.255 20 30 CDEDLO C[C@@H]1[C@@H](C(F)(F)F)OCC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598628412 343848551 /nfs/dbraw/zinc/84/85/51/343848551.db2.gz TYURCUNDFYTBRI-MXWKQRLJSA-N 1 2 294.317 1.939 20 30 CDEDLO C[C@@H]1[C@@H](C(F)(F)F)OCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598628412 343848552 /nfs/dbraw/zinc/84/85/52/343848552.db2.gz TYURCUNDFYTBRI-MXWKQRLJSA-N 1 2 294.317 1.939 20 30 CDEDLO C[C@@H]1[C@@H](C(F)(F)F)OCC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598628414 343848577 /nfs/dbraw/zinc/84/85/77/343848577.db2.gz TYURCUNDFYTBRI-VWYCJHECSA-N 1 2 294.317 1.939 20 30 CDEDLO C[C@@H]1[C@@H](C(F)(F)F)OCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598628414 343848578 /nfs/dbraw/zinc/84/85/78/343848578.db2.gz TYURCUNDFYTBRI-VWYCJHECSA-N 1 2 294.317 1.939 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000619777808 349899540 /nfs/dbraw/zinc/89/95/40/349899540.db2.gz ASFVOCVVFNLVHV-GWCFXTLKSA-N 1 2 277.755 1.973 20 30 CDEDLO Cn1nccc1[C@@H]1c2[nH]cnc2CC[N@H+]1CCCCC#N ZINC000599445459 344051459 /nfs/dbraw/zinc/05/14/59/344051459.db2.gz SQXXYHOXEJTKQY-OAHLLOKOSA-N 1 2 284.367 1.785 20 30 CDEDLO Cn1nccc1[C@@H]1c2[nH]cnc2CC[N@@H+]1CCCCC#N ZINC000599445459 344051462 /nfs/dbraw/zinc/05/14/62/344051462.db2.gz SQXXYHOXEJTKQY-OAHLLOKOSA-N 1 2 284.367 1.785 20 30 CDEDLO CCC(C#N)(CC)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000599664429 344124096 /nfs/dbraw/zinc/12/40/96/344124096.db2.gz MULYTNLTJWFURS-ZDUSSCGKSA-N 1 2 279.384 1.249 20 30 CDEDLO CC(C)[C@@H](C#N)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000602095433 344344703 /nfs/dbraw/zinc/34/47/03/344344703.db2.gz BSYSQQFVGFZBGR-CYBMUJFWSA-N 1 2 284.319 1.856 20 30 CDEDLO CC1(C#N)CN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1 ZINC000602143054 344349162 /nfs/dbraw/zinc/34/91/62/344349162.db2.gz RFSGIYVKJHIQAP-UHFFFAOYSA-N 1 2 282.303 1.564 20 30 CDEDLO COc1cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)c(Cl)cc1O ZINC000602695717 344542879 /nfs/dbraw/zinc/54/28/79/344542879.db2.gz GWHJDWFYDJJIDZ-AWEZNQCLSA-N 1 2 296.754 1.905 20 30 CDEDLO COc1cc(C[N@H+]2CC[C@@](O)(CC#N)C2)c(Cl)cc1O ZINC000602695717 344542882 /nfs/dbraw/zinc/54/28/82/344542882.db2.gz GWHJDWFYDJJIDZ-AWEZNQCLSA-N 1 2 296.754 1.905 20 30 CDEDLO C=CCC[N@@H+](C)Cc1nnnn1CCOCC(F)(F)F ZINC000447270333 362416869 /nfs/dbraw/zinc/41/68/69/362416869.db2.gz HCCBGJACIBFXCJ-UHFFFAOYSA-N 1 2 293.293 1.260 20 30 CDEDLO C=CCC[N@H+](C)Cc1nnnn1CCOCC(F)(F)F ZINC000447270333 362416873 /nfs/dbraw/zinc/41/68/73/362416873.db2.gz HCCBGJACIBFXCJ-UHFFFAOYSA-N 1 2 293.293 1.260 20 30 CDEDLO Cc1csc(=O)n1CC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612159574 347061351 /nfs/dbraw/zinc/06/13/51/347061351.db2.gz WJEIIAFTFAOMLC-ZDUSSCGKSA-N 1 2 265.382 1.844 20 30 CDEDLO Cc1csc(=O)n1CC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612159574 347061354 /nfs/dbraw/zinc/06/13/54/347061354.db2.gz WJEIIAFTFAOMLC-ZDUSSCGKSA-N 1 2 265.382 1.844 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000602861651 344617286 /nfs/dbraw/zinc/61/72/86/344617286.db2.gz GWNJJPCABLRURU-VXGBXAGGSA-N 1 2 277.343 1.765 20 30 CDEDLO COc1cccc(CNC(=O)[C@H](C)[NH2+][C@H](C)CC#N)c1 ZINC000602865494 344638193 /nfs/dbraw/zinc/63/81/93/344638193.db2.gz YMVNKJVNYBXBCW-NEPJUHHUSA-N 1 2 275.352 1.592 20 30 CDEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167702 347066140 /nfs/dbraw/zinc/06/61/40/347066140.db2.gz UXSJGCZGJSVFLB-WFASDCNBSA-N 1 2 294.399 1.482 20 30 CDEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167702 347066142 /nfs/dbraw/zinc/06/61/42/347066142.db2.gz UXSJGCZGJSVFLB-WFASDCNBSA-N 1 2 294.399 1.482 20 30 CDEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCCC(F)(F)C1 ZINC000404821781 345223920 /nfs/dbraw/zinc/22/39/20/345223920.db2.gz DUGLQDHROMYZJV-UHFFFAOYSA-N 1 2 259.300 1.480 20 30 CDEDLO CN(CCC#N)C(=O)CC[N@H+]1CCCC(F)(F)C1 ZINC000404821781 345223923 /nfs/dbraw/zinc/22/39/23/345223923.db2.gz DUGLQDHROMYZJV-UHFFFAOYSA-N 1 2 259.300 1.480 20 30 CDEDLO Cc1cc(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)on1 ZINC000609538817 345595318 /nfs/dbraw/zinc/59/53/18/345595318.db2.gz YGFMHYVWIXBABL-CQSZACIVSA-N 1 2 262.357 1.649 20 30 CDEDLO C=C[C@H](C)Nc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000665706105 482557290 /nfs/dbraw/zinc/55/72/90/482557290.db2.gz RPQVHJRCCQHTGO-SRVKXCTJSA-N 1 2 262.357 1.670 20 30 CDEDLO C=C[C@H](C)Nc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000665706105 482557293 /nfs/dbraw/zinc/55/72/93/482557293.db2.gz RPQVHJRCCQHTGO-SRVKXCTJSA-N 1 2 262.357 1.670 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1[nH]cc[nH+]1 ZINC000611191166 346685486 /nfs/dbraw/zinc/68/54/86/346685486.db2.gz VHAHJCPSQBAHPX-NSHDSACASA-N 1 2 283.335 1.740 20 30 CDEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccnn2C)CC1 ZINC000611432279 346782957 /nfs/dbraw/zinc/78/29/57/346782957.db2.gz RLJKZNFYINDZIX-CQSZACIVSA-N 1 2 261.373 1.086 20 30 CDEDLO COC(=O)c1cccc(COCc2[nH]cc[nH+]2)c1C#N ZINC000611468893 346796023 /nfs/dbraw/zinc/79/60/23/346796023.db2.gz BWQHHCFTLSMBLZ-UHFFFAOYSA-N 1 2 271.276 1.785 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCC(=O)c1cccs1 ZINC000653756964 412536873 /nfs/dbraw/zinc/53/68/73/412536873.db2.gz ZQZHFOOOINVGHP-JTQLQIEISA-N 1 2 279.365 1.329 20 30 CDEDLO CC[N@@H+](CC(=O)NCCOc1ccccc1)C[C@H](C)C#N ZINC000066424398 347486309 /nfs/dbraw/zinc/48/63/09/347486309.db2.gz GFIIPSCJMVZZKI-CQSZACIVSA-N 1 2 289.379 1.663 20 30 CDEDLO CC[N@H+](CC(=O)NCCOc1ccccc1)C[C@H](C)C#N ZINC000066424398 347486314 /nfs/dbraw/zinc/48/63/14/347486314.db2.gz GFIIPSCJMVZZKI-CQSZACIVSA-N 1 2 289.379 1.663 20 30 CDEDLO C#C[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)C(C)(C)C ZINC000491640744 347585562 /nfs/dbraw/zinc/58/55/62/347585562.db2.gz OUXHZXGOTBVDLC-IHRRRGAJSA-N 1 2 295.427 1.443 20 30 CDEDLO N#Cc1c[nH][nH]c1=NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000601640119 349983004 /nfs/dbraw/zinc/98/30/04/349983004.db2.gz VQYSWNOPOXBEPY-LLVKDONJSA-N 1 2 287.367 1.296 20 30 CDEDLO N#Cc1c[nH][nH]c1=NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000601640119 349983008 /nfs/dbraw/zinc/98/30/08/349983008.db2.gz VQYSWNOPOXBEPY-LLVKDONJSA-N 1 2 287.367 1.296 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(NC(=O)CCC)CC1 ZINC000619716639 348181465 /nfs/dbraw/zinc/18/14/65/348181465.db2.gz XXMBVHQFOBCXTO-LBPRGKRZSA-N 1 2 268.357 1.095 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000619718364 348187765 /nfs/dbraw/zinc/18/77/65/348187765.db2.gz LFONCQFGSBKOMP-LSDHHAIUSA-N 1 2 297.395 1.764 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000614667622 348189615 /nfs/dbraw/zinc/18/96/15/348189615.db2.gz DNINNHNCMXXLLY-LBPRGKRZSA-N 1 2 292.383 1.610 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000614667622 348189617 /nfs/dbraw/zinc/18/96/17/348189617.db2.gz DNINNHNCMXXLLY-LBPRGKRZSA-N 1 2 292.383 1.610 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000614991998 348296161 /nfs/dbraw/zinc/29/61/61/348296161.db2.gz URFWDHWHYHNLOE-UHFFFAOYSA-N 1 2 265.307 1.996 20 30 CDEDLO CN(C)c1ccc(CNC(=O)N2CC[C@](F)(C#N)C2)c[nH+]1 ZINC000615530534 348577042 /nfs/dbraw/zinc/57/70/42/348577042.db2.gz BEFKXUYYLJJHMZ-AWEZNQCLSA-N 1 2 291.330 1.295 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615556447 348586918 /nfs/dbraw/zinc/58/69/18/348586918.db2.gz AZMPOZJOCZWWRQ-AWEZNQCLSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CCNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000029318945 348670638 /nfs/dbraw/zinc/67/06/38/348670638.db2.gz YGUBSUIISWQEMP-UHFFFAOYSA-N 1 2 257.297 1.253 20 30 CDEDLO C#CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000026525051 348660148 /nfs/dbraw/zinc/66/01/48/348660148.db2.gz IVUCHOXRVPWHOF-UHFFFAOYSA-N 1 2 282.347 1.019 20 30 CDEDLO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1nnnn1C ZINC000615702479 348640289 /nfs/dbraw/zinc/64/02/89/348640289.db2.gz WAFDJZHSMWHQKK-NXEZZACHSA-N 1 2 256.313 1.494 20 30 CDEDLO Cc1nn(Cc2[nH]c3ccccc3[nH+]2)c(=O)c(C#N)c1C ZINC000064026138 348935360 /nfs/dbraw/zinc/93/53/60/348935360.db2.gz NTVHELXYTHVZNV-UHFFFAOYSA-N 1 2 279.303 1.656 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1c(F)cccc1F ZINC000576468405 335208001 /nfs/dbraw/zinc/20/80/01/335208001.db2.gz FVUQHUNSLCGPMC-CQSZACIVSA-N 1 2 281.306 1.467 20 30 CDEDLO N#Cc1cc(NC(=O)NCCCCn2cc[nH+]c2)ccn1 ZINC000603140439 350217339 /nfs/dbraw/zinc/21/73/39/350217339.db2.gz UDOPZVKMKDUICV-UHFFFAOYSA-N 1 2 284.323 1.752 20 30 CDEDLO N#Cc1ccc(Cn2cc(C[NH+]3CCSCC3)nn2)cc1 ZINC000603160008 350220830 /nfs/dbraw/zinc/22/08/30/350220830.db2.gz FXHXSAVBSWTOIF-UHFFFAOYSA-N 1 2 299.403 1.747 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)n1cc(C[N@H+](C)CCO)nn1 ZINC000603232520 350233014 /nfs/dbraw/zinc/23/30/14/350233014.db2.gz GDHBFFYJNZZAPI-LBPRGKRZSA-N 1 2 285.351 1.183 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)n1cc(C[N@@H+](C)CCO)nn1 ZINC000603232520 350233016 /nfs/dbraw/zinc/23/30/16/350233016.db2.gz GDHBFFYJNZZAPI-LBPRGKRZSA-N 1 2 285.351 1.183 20 30 CDEDLO CCN1CC[NH+](CCNc2ccc(C#N)cc2)CC1 ZINC000603627797 350312510 /nfs/dbraw/zinc/31/25/10/350312510.db2.gz TVBZCIABBVLWCI-UHFFFAOYSA-N 1 2 258.369 1.608 20 30 CDEDLO CC/C=C(\C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000264209365 362996237 /nfs/dbraw/zinc/99/62/37/362996237.db2.gz RHZHMTQCZZPFCI-LHHJGKSTSA-N 1 2 279.384 1.417 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)Nc2sccc2C#N)CC[C@@H]1O ZINC000167239774 363066268 /nfs/dbraw/zinc/06/62/68/363066268.db2.gz MVSTWDPRTRBOFF-KOLCDFICSA-N 1 2 279.365 1.261 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)CC[C@@H]1O ZINC000167239774 363066273 /nfs/dbraw/zinc/06/62/73/363066273.db2.gz MVSTWDPRTRBOFF-KOLCDFICSA-N 1 2 279.365 1.261 20 30 CDEDLO Cc1nnc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)[nH]1 ZINC000291995539 198129333 /nfs/dbraw/zinc/12/93/33/198129333.db2.gz AYLIYKJSAXHWJJ-UHFFFAOYSA-N 1 2 296.378 1.697 20 30 CDEDLO Cc1nnc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)[nH]1 ZINC000291995539 198129335 /nfs/dbraw/zinc/12/93/35/198129335.db2.gz AYLIYKJSAXHWJJ-UHFFFAOYSA-N 1 2 296.378 1.697 20 30 CDEDLO Cc1cnc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000292055674 198147244 /nfs/dbraw/zinc/14/72/44/198147244.db2.gz BQCNFZFGGSIXTM-ZDUSSCGKSA-N 1 2 284.319 1.903 20 30 CDEDLO Cc1cnc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000292055674 198147242 /nfs/dbraw/zinc/14/72/42/198147242.db2.gz BQCNFZFGGSIXTM-ZDUSSCGKSA-N 1 2 284.319 1.903 20 30 CDEDLO Cc1nnc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000292167405 198189198 /nfs/dbraw/zinc/18/91/98/198189198.db2.gz LOYSSIYZIHDTBN-LBPRGKRZSA-N 1 2 285.307 1.298 20 30 CDEDLO Cc1nnc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000292167405 198189200 /nfs/dbraw/zinc/18/92/00/198189200.db2.gz LOYSSIYZIHDTBN-LBPRGKRZSA-N 1 2 285.307 1.298 20 30 CDEDLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)NCC#N)n1 ZINC000159725476 363232955 /nfs/dbraw/zinc/23/29/55/363232955.db2.gz JJMIUKHTYMYSFQ-ZDUSSCGKSA-N 1 2 258.325 1.167 20 30 CDEDLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)NCC#N)n1 ZINC000159725476 363232961 /nfs/dbraw/zinc/23/29/61/363232961.db2.gz JJMIUKHTYMYSFQ-ZDUSSCGKSA-N 1 2 258.325 1.167 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1ccnn1CC ZINC000352364696 363277629 /nfs/dbraw/zinc/27/76/29/363277629.db2.gz HLLMMCVBWVIKGP-UHFFFAOYSA-N 1 2 277.372 1.097 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1ccnn1CC ZINC000352364696 363277636 /nfs/dbraw/zinc/27/76/36/363277636.db2.gz HLLMMCVBWVIKGP-UHFFFAOYSA-N 1 2 277.372 1.097 20 30 CDEDLO Cc1cccc(NC[C@@H](O)C[N@H+](C)CCC#N)c1C ZINC000570082019 363344554 /nfs/dbraw/zinc/34/45/54/363344554.db2.gz DGSNVSUZNSEEBF-CQSZACIVSA-N 1 2 261.369 1.922 20 30 CDEDLO Cc1cccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c1C ZINC000570082019 363344558 /nfs/dbraw/zinc/34/45/58/363344558.db2.gz DGSNVSUZNSEEBF-CQSZACIVSA-N 1 2 261.369 1.922 20 30 CDEDLO C#CC[N@@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000298616679 538316243 /nfs/dbraw/zinc/31/62/43/538316243.db2.gz UJYWSUHPYCDNPT-CQSZACIVSA-N 1 2 253.305 1.229 20 30 CDEDLO C#CC[N@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000298616679 538316248 /nfs/dbraw/zinc/31/62/48/538316248.db2.gz UJYWSUHPYCDNPT-CQSZACIVSA-N 1 2 253.305 1.229 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCc2ccccc2O1 ZINC000583938361 355988409 /nfs/dbraw/zinc/98/84/09/355988409.db2.gz USXCCLRWPIBPOM-GOEBONIOSA-N 1 2 287.363 1.340 20 30 CDEDLO CC[N@H+](CC(=O)OC)Cc1ccc(C#N)c(OC)c1 ZINC000233463633 356338047 /nfs/dbraw/zinc/33/80/47/356338047.db2.gz OKICKOXMZLKVBI-UHFFFAOYSA-N 1 2 262.309 1.562 20 30 CDEDLO CC[N@@H+](CC(=O)OC)Cc1ccc(C#N)c(OC)c1 ZINC000233463633 356338051 /nfs/dbraw/zinc/33/80/51/356338051.db2.gz OKICKOXMZLKVBI-UHFFFAOYSA-N 1 2 262.309 1.562 20 30 CDEDLO N#Cc1ccc2c(c1)N(C(=O)[C@H]1CCn3c[nH+]cc3C1)CC2 ZINC000328884603 202096637 /nfs/dbraw/zinc/09/66/37/202096637.db2.gz YPQUPXKAGNDVFT-AWEZNQCLSA-N 1 2 292.342 1.906 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNc1nc2c(cc1C#N)CCC2 ZINC000329037624 202161512 /nfs/dbraw/zinc/16/15/12/202161512.db2.gz CORNKOAONRTJKG-GFCCVEGCSA-N 1 2 286.379 1.575 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNc1nc2c(cc1C#N)CCC2 ZINC000329037624 202161516 /nfs/dbraw/zinc/16/15/16/202161516.db2.gz CORNKOAONRTJKG-GFCCVEGCSA-N 1 2 286.379 1.575 20 30 CDEDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000578594280 356751957 /nfs/dbraw/zinc/75/19/57/356751957.db2.gz MASPHBDMYMXHLV-CYBMUJFWSA-N 1 2 258.325 1.054 20 30 CDEDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000578594280 356751959 /nfs/dbraw/zinc/75/19/59/356751959.db2.gz MASPHBDMYMXHLV-CYBMUJFWSA-N 1 2 258.325 1.054 20 30 CDEDLO C=C(Cl)C[NH2+][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000299211511 356985200 /nfs/dbraw/zinc/98/52/00/356985200.db2.gz GYJUUMBBIRGBSF-MRVPVSSYSA-N 1 2 282.735 1.894 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000299248059 357000404 /nfs/dbraw/zinc/00/04/04/357000404.db2.gz KNIXYKYXUFJQQY-GJZGRUSLSA-N 1 2 298.386 1.829 20 30 CDEDLO Cn1cc(C[NH+]2CCN(CC#N)CC2)c(C(C)(C)C)n1 ZINC000180010007 357235734 /nfs/dbraw/zinc/23/57/34/357235734.db2.gz ISCZCSBVJDLFJR-UHFFFAOYSA-N 1 2 275.400 1.359 20 30 CDEDLO N#Cc1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c[nH]1 ZINC000181266035 357330184 /nfs/dbraw/zinc/33/01/84/357330184.db2.gz IEUFWTBBBFBMAU-UHFFFAOYSA-N 1 2 269.308 1.560 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCSC[C@H]2CO)c(F)c1 ZINC000334430124 357577952 /nfs/dbraw/zinc/57/79/52/357577952.db2.gz UXNRYRNWCPUXRI-GFCCVEGCSA-N 1 2 266.341 1.607 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCSC[C@H]2CO)c(F)c1 ZINC000334430124 357577954 /nfs/dbraw/zinc/57/79/54/357577954.db2.gz UXNRYRNWCPUXRI-GFCCVEGCSA-N 1 2 266.341 1.607 20 30 CDEDLO N#Cc1ccc(CCC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000335868296 357998427 /nfs/dbraw/zinc/99/84/27/357998427.db2.gz ZERFQRIYPAIXPP-UHFFFAOYSA-N 1 2 280.331 1.730 20 30 CDEDLO N#CC1CC[NH+](CC(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000142042519 358016679 /nfs/dbraw/zinc/01/66/79/358016679.db2.gz UCKLVOYWDURSBA-OAHLLOKOSA-N 1 2 299.374 1.862 20 30 CDEDLO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc(C#N)cs2)C[C@@H]1C ZINC000175915424 358029563 /nfs/dbraw/zinc/02/95/63/358029563.db2.gz OIAZBUNBFCWGSA-WDEREUQCSA-N 1 2 293.392 1.147 20 30 CDEDLO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc(C#N)cs2)C[C@@H]1C ZINC000175915424 358029568 /nfs/dbraw/zinc/02/95/68/358029568.db2.gz OIAZBUNBFCWGSA-WDEREUQCSA-N 1 2 293.392 1.147 20 30 CDEDLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000185124831 358776437 /nfs/dbraw/zinc/77/64/37/358776437.db2.gz JZJYMOMIMDCVEA-XTZNXHDOSA-N 1 2 268.357 1.896 20 30 CDEDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000185124831 358776441 /nfs/dbraw/zinc/77/64/41/358776441.db2.gz JZJYMOMIMDCVEA-XTZNXHDOSA-N 1 2 268.357 1.896 20 30 CDEDLO CO[C@H]1CC[N@H+](CCC#N)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000495282466 366521965 /nfs/dbraw/zinc/52/19/65/366521965.db2.gz VBIAANWDLVRDCH-OLZOCXBDSA-N 1 2 297.399 1.904 20 30 CDEDLO CO[C@H]1CC[N@@H+](CCC#N)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000495282466 366521969 /nfs/dbraw/zinc/52/19/69/366521969.db2.gz VBIAANWDLVRDCH-OLZOCXBDSA-N 1 2 297.399 1.904 20 30 CDEDLO N#CC1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 ZINC000057907460 359121293 /nfs/dbraw/zinc/12/12/93/359121293.db2.gz RSSAHNPUDPSCEG-UHFFFAOYSA-N 1 2 261.300 2.000 20 30 CDEDLO C=CC[N@@H+](C[C@@H](O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000264576136 359311311 /nfs/dbraw/zinc/31/13/11/359311311.db2.gz UDQGXOPJHQEZNX-HUUCEWRRSA-N 1 2 295.404 1.395 20 30 CDEDLO C=CC[N@H+](C[C@@H](O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000264576136 359311314 /nfs/dbraw/zinc/31/13/14/359311314.db2.gz UDQGXOPJHQEZNX-HUUCEWRRSA-N 1 2 295.404 1.395 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(Cl)cn2)CC1 ZINC000265683720 359333244 /nfs/dbraw/zinc/33/32/44/359333244.db2.gz UOTUXGQGMKMQHT-UHFFFAOYSA-N 1 2 277.755 1.516 20 30 CDEDLO C#CCSCCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000265816173 359336502 /nfs/dbraw/zinc/33/65/02/359336502.db2.gz MFFYCKWUGKRZNX-GFCCVEGCSA-N 1 2 292.408 1.665 20 30 CDEDLO C#CC[N@@H+](CC(=O)N(C)Cc1ccc(OC)cc1)C1CC1 ZINC000274248876 359494477 /nfs/dbraw/zinc/49/44/77/359494477.db2.gz ZFUXAVDPGJGOFV-UHFFFAOYSA-N 1 2 286.375 1.751 20 30 CDEDLO C#CC[N@H+](CC(=O)N(C)Cc1ccc(OC)cc1)C1CC1 ZINC000274248876 359494481 /nfs/dbraw/zinc/49/44/81/359494481.db2.gz ZFUXAVDPGJGOFV-UHFFFAOYSA-N 1 2 286.375 1.751 20 30 CDEDLO CC#CC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000277307658 359559900 /nfs/dbraw/zinc/55/99/00/359559900.db2.gz DWSSKYXBTVAIDT-UHFFFAOYSA-N 1 2 271.364 1.957 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000277478483 359564394 /nfs/dbraw/zinc/56/43/94/359564394.db2.gz ZQMSAPBMBXVZTD-CQSZACIVSA-N 1 2 286.379 1.313 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000277478483 359564401 /nfs/dbraw/zinc/56/44/01/359564401.db2.gz ZQMSAPBMBXVZTD-CQSZACIVSA-N 1 2 286.379 1.313 20 30 CDEDLO C=CC1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000111860650 359940375 /nfs/dbraw/zinc/94/03/75/359940375.db2.gz HYLWIUGGYBYTJL-AWEZNQCLSA-N 1 2 294.443 1.230 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2c(C)nc3ccccn32)C1=O ZINC000337201319 360022847 /nfs/dbraw/zinc/02/28/47/360022847.db2.gz CSTHXFWVGFJRCX-CQSZACIVSA-N 1 2 298.390 1.861 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2c(C)nc3ccccn32)C1=O ZINC000337201319 360022853 /nfs/dbraw/zinc/02/28/53/360022853.db2.gz CSTHXFWVGFJRCX-CQSZACIVSA-N 1 2 298.390 1.861 20 30 CDEDLO COc1ccccc1[C@@H]1CN(C(=O)[C@@H](C)C#N)CC[NH2+]1 ZINC000337579039 360255364 /nfs/dbraw/zinc/25/53/64/360255364.db2.gz HUGBZXBADAKDOC-AAEUAGOBSA-N 1 2 273.336 1.328 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000245874368 360759340 /nfs/dbraw/zinc/75/93/40/360759340.db2.gz MLYVYULEGUKGLJ-DZGCQCFKSA-N 1 2 279.384 1.152 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCOC[C@H]1C1CC1 ZINC000245874368 360759345 /nfs/dbraw/zinc/75/93/45/360759345.db2.gz MLYVYULEGUKGLJ-DZGCQCFKSA-N 1 2 279.384 1.152 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000245984624 360781788 /nfs/dbraw/zinc/78/17/88/360781788.db2.gz VZOYXAYCLIETLW-OCCSQVGLSA-N 1 2 279.384 1.105 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOC[C@H]1C1CC1 ZINC000245984624 360781792 /nfs/dbraw/zinc/78/17/92/360781792.db2.gz VZOYXAYCLIETLW-OCCSQVGLSA-N 1 2 279.384 1.105 20 30 CDEDLO CS(=O)(=O)N[C@@H]1CCC[C@H]1C/[NH+]=C/c1ccccc1O ZINC000129380902 360832547 /nfs/dbraw/zinc/83/25/47/360832547.db2.gz AAGATWWMHCGJAY-OPNFJPCBSA-N 1 2 296.392 1.529 20 30 CDEDLO C[N@H+](CC(=O)NCc1ccccc1)CC(C)(C)C#N ZINC000433307178 361231198 /nfs/dbraw/zinc/23/11/98/361231198.db2.gz UUHMFBUCZHOZHH-UHFFFAOYSA-N 1 2 259.353 1.784 20 30 CDEDLO C[N@@H+](CC(=O)NCc1ccccc1)CC(C)(C)C#N ZINC000433307178 361231203 /nfs/dbraw/zinc/23/12/03/361231203.db2.gz UUHMFBUCZHOZHH-UHFFFAOYSA-N 1 2 259.353 1.784 20 30 CDEDLO CNC(=O)NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367215715 361236504 /nfs/dbraw/zinc/23/65/04/361236504.db2.gz LUKUMRYGLMLLNI-UHFFFAOYSA-N 1 2 298.346 1.103 20 30 CDEDLO CNC(=O)NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367215715 361236511 /nfs/dbraw/zinc/23/65/11/361236511.db2.gz LUKUMRYGLMLLNI-UHFFFAOYSA-N 1 2 298.346 1.103 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CO)C1 ZINC000267744586 361617887 /nfs/dbraw/zinc/61/78/87/361617887.db2.gz ZUPLKSBBZRHIGF-ZFWWWQNUSA-N 1 2 288.347 1.477 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CO)C1 ZINC000267744586 361617889 /nfs/dbraw/zinc/61/78/89/361617889.db2.gz ZUPLKSBBZRHIGF-ZFWWWQNUSA-N 1 2 288.347 1.477 20 30 CDEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000408402448 291300319 /nfs/dbraw/zinc/30/03/19/291300319.db2.gz IHCGJIRKVKNLQI-UWVGGRQHSA-N 1 2 299.421 1.333 20 30 CDEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000408402448 291300321 /nfs/dbraw/zinc/30/03/21/291300321.db2.gz IHCGJIRKVKNLQI-UWVGGRQHSA-N 1 2 299.421 1.333 20 30 CDEDLO CN1CC2(C[NH+](CC(C)(C)CCC#N)C2)OC1=O ZINC000496744760 366851406 /nfs/dbraw/zinc/85/14/06/366851406.db2.gz YRQCSVIFBOAVLW-UHFFFAOYSA-N 1 2 251.330 1.453 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2nc(CCCC)no2)nn1 ZINC000640922421 364740101 /nfs/dbraw/zinc/74/01/01/364740101.db2.gz QLKNOSCYTRWQOU-UHFFFAOYSA-N 1 2 288.355 1.165 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)NC(CC)CC)nn1 ZINC000640906736 364734109 /nfs/dbraw/zinc/73/41/09/364734109.db2.gz KFGBIWZLGHIDAN-LBPRGKRZSA-N 1 2 291.399 1.257 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cc(F)ccc2F)nn1 ZINC000640938583 364759798 /nfs/dbraw/zinc/75/97/98/364759798.db2.gz RWZFZCREKVJMKM-UHFFFAOYSA-N 1 2 276.290 1.718 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2noc(C3CCC3)n2)nn1 ZINC000640950511 364773028 /nfs/dbraw/zinc/77/30/28/364773028.db2.gz GODZWUDBXKNHFO-UHFFFAOYSA-N 1 2 286.339 1.090 20 30 CDEDLO N#CCCN(CCC#N)C(=O)c1ccc2[nH+]ccn2c1 ZINC000171677359 365355563 /nfs/dbraw/zinc/35/55/63/365355563.db2.gz OAAJUSABGPHBFK-UHFFFAOYSA-N 1 2 267.292 1.604 20 30 CDEDLO Cc1nc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)ccc1C#N ZINC000563967131 365362695 /nfs/dbraw/zinc/36/26/95/365362695.db2.gz XVLGUMHKOQCCEG-UHFFFAOYSA-N 1 2 269.308 1.650 20 30 CDEDLO C=CC[C@@H](C)NC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000354090225 365408838 /nfs/dbraw/zinc/40/88/38/365408838.db2.gz BIQXOMDOAUUUFM-CHWSQXEVSA-N 1 2 291.399 1.763 20 30 CDEDLO C[C@H]1CCC[C@H](CO)[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000270525131 366894809 /nfs/dbraw/zinc/89/48/09/366894809.db2.gz UKXCYRRJOKASCN-CMPLNLGQSA-N 1 2 293.392 1.794 20 30 CDEDLO C[C@H]1CCC[C@H](CO)[N@H+]1CC(=O)Nc1sccc1C#N ZINC000270525131 366894812 /nfs/dbraw/zinc/89/48/12/366894812.db2.gz UKXCYRRJOKASCN-CMPLNLGQSA-N 1 2 293.392 1.794 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000357313839 366906969 /nfs/dbraw/zinc/90/69/69/366906969.db2.gz IUDPOKOZSOYVOV-ZDUSSCGKSA-N 1 2 268.401 1.910 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000357313839 366906973 /nfs/dbraw/zinc/90/69/73/366906973.db2.gz IUDPOKOZSOYVOV-ZDUSSCGKSA-N 1 2 268.401 1.910 20 30 CDEDLO CCC(C#N)(CC)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000528734414 367961729 /nfs/dbraw/zinc/96/17/29/367961729.db2.gz BXGOOXCZPQWAID-UHFFFAOYSA-N 1 2 295.427 1.886 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000124809314 284012603 /nfs/dbraw/zinc/01/26/03/284012603.db2.gz SMKWJAWWEZSNLF-NSHDSACASA-N 1 2 250.323 1.757 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000124809314 284012606 /nfs/dbraw/zinc/01/26/06/284012606.db2.gz SMKWJAWWEZSNLF-NSHDSACASA-N 1 2 250.323 1.757 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CSC[C@@H](C)CC)CC1 ZINC000124310906 368212020 /nfs/dbraw/zinc/21/20/20/368212020.db2.gz NKLROBMSZUFXHB-ZDUSSCGKSA-N 1 2 268.426 1.543 20 30 CDEDLO C#Cc1cccc(N(C)C(=O)C(C)(C)[NH+]2CCOCC2)c1 ZINC000283444373 368291340 /nfs/dbraw/zinc/29/13/40/368291340.db2.gz WIAKYXINHBQLPJ-UHFFFAOYSA-N 1 2 286.375 1.742 20 30 CDEDLO CCC(CC)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000126595132 368308099 /nfs/dbraw/zinc/30/80/99/368308099.db2.gz SVJZXBJRYNAICT-UHFFFAOYSA-N 1 2 295.427 1.887 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000276218958 193246694 /nfs/dbraw/zinc/24/66/94/193246694.db2.gz XGFWBENNNHOHLH-MRXNPFEDSA-N 1 2 295.427 1.259 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000276218958 193246696 /nfs/dbraw/zinc/24/66/96/193246696.db2.gz XGFWBENNNHOHLH-MRXNPFEDSA-N 1 2 295.427 1.259 20 30 CDEDLO C=C(C)CN(CC)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000079312729 369823098 /nfs/dbraw/zinc/82/30/98/369823098.db2.gz CXIGVKNSTMHRSR-ZDUSSCGKSA-N 1 2 269.389 1.315 20 30 CDEDLO CC(F)(F)C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000564860540 370278473 /nfs/dbraw/zinc/27/84/73/370278473.db2.gz PXCVJRADYJDAEO-GFCCVEGCSA-N 1 2 284.306 1.737 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351920502 284294941 /nfs/dbraw/zinc/29/49/41/284294941.db2.gz CBZHVKKKACVGLN-HONMWMINSA-N 1 2 274.320 1.085 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351920502 284294942 /nfs/dbraw/zinc/29/49/42/284294942.db2.gz CBZHVKKKACVGLN-HONMWMINSA-N 1 2 274.320 1.085 20 30 CDEDLO CCOC(=O)[C@H]1CCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000050064659 372286269 /nfs/dbraw/zinc/28/62/69/372286269.db2.gz FMENTVKUOGEDAN-OAHLLOKOSA-N 1 2 288.347 1.965 20 30 CDEDLO CCOC(=O)[C@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000050064659 372286274 /nfs/dbraw/zinc/28/62/74/372286274.db2.gz FMENTVKUOGEDAN-OAHLLOKOSA-N 1 2 288.347 1.965 20 30 CDEDLO CCOC(=O)C[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000050067125 372315046 /nfs/dbraw/zinc/31/50/46/372315046.db2.gz RENFFFXVSAFFGV-UHFFFAOYSA-N 1 2 289.335 1.382 20 30 CDEDLO CCOC(=O)C[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000050067125 372315051 /nfs/dbraw/zinc/31/50/51/372315051.db2.gz RENFFFXVSAFFGV-UHFFFAOYSA-N 1 2 289.335 1.382 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181277670 372568721 /nfs/dbraw/zinc/56/87/21/372568721.db2.gz CDAWNFHEFXYASL-JTQLQIEISA-N 1 2 282.306 1.266 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181277670 372568723 /nfs/dbraw/zinc/56/87/23/372568723.db2.gz CDAWNFHEFXYASL-JTQLQIEISA-N 1 2 282.306 1.266 20 30 CDEDLO C[C@H](C#N)CNC(=O)NCCCCNc1cccc[nH+]1 ZINC000182766120 372622578 /nfs/dbraw/zinc/62/25/78/372622578.db2.gz XGAIMNFNWKURFO-GFCCVEGCSA-N 1 2 275.356 1.733 20 30 CDEDLO CC[N@@H+](CC(=O)NC(=O)NC1CCCC1)C[C@H](C)C#N ZINC000049982230 373024299 /nfs/dbraw/zinc/02/42/99/373024299.db2.gz GUXVRGPCVHNQNS-LLVKDONJSA-N 1 2 280.372 1.236 20 30 CDEDLO CC[N@H+](CC(=O)NC(=O)NC1CCCC1)C[C@H](C)C#N ZINC000049982230 373024306 /nfs/dbraw/zinc/02/43/06/373024306.db2.gz GUXVRGPCVHNQNS-LLVKDONJSA-N 1 2 280.372 1.236 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccnn1C ZINC000348360413 373119608 /nfs/dbraw/zinc/11/96/08/373119608.db2.gz DSEMKSQYGNSFHM-GFCCVEGCSA-N 1 2 297.362 1.751 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccnn1C ZINC000348360413 373119616 /nfs/dbraw/zinc/11/96/16/373119616.db2.gz DSEMKSQYGNSFHM-GFCCVEGCSA-N 1 2 297.362 1.751 20 30 CDEDLO C[C@H](C(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1)c1cccc(C#N)c1 ZINC000360378343 374011630 /nfs/dbraw/zinc/01/16/30/374011630.db2.gz QFNZTQGBZURYJB-APHBMKBZSA-N 1 2 299.374 1.203 20 30 CDEDLO C[C@H](C(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1)c1cccc(C#N)c1 ZINC000360378343 374011634 /nfs/dbraw/zinc/01/16/34/374011634.db2.gz QFNZTQGBZURYJB-APHBMKBZSA-N 1 2 299.374 1.203 20 30 CDEDLO CC[C@](C)([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)C(N)=O ZINC000351266480 374165049 /nfs/dbraw/zinc/16/50/49/374165049.db2.gz DZAONBFXNXATME-HNNXBMFYSA-N 1 2 299.334 1.352 20 30 CDEDLO Cn1ccnc1C[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC000368677991 374323292 /nfs/dbraw/zinc/32/32/92/374323292.db2.gz NPFMDDQDMAOOBZ-UHFFFAOYSA-N 1 2 296.378 1.399 20 30 CDEDLO Cn1ccnc1C[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC000368677991 374323300 /nfs/dbraw/zinc/32/33/00/374323300.db2.gz NPFMDDQDMAOOBZ-UHFFFAOYSA-N 1 2 296.378 1.399 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](O)CC1 ZINC000293199152 374351037 /nfs/dbraw/zinc/35/10/37/374351037.db2.gz QSRGBSZMLMYSLS-NSHDSACASA-N 1 2 279.365 1.405 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](O)CC1 ZINC000293199152 374351045 /nfs/dbraw/zinc/35/10/45/374351045.db2.gz QSRGBSZMLMYSLS-NSHDSACASA-N 1 2 279.365 1.405 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000370091973 374379781 /nfs/dbraw/zinc/37/97/81/374379781.db2.gz DNZKUPYEKAQCHF-CQSZACIVSA-N 1 2 291.376 1.405 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000370091973 374379783 /nfs/dbraw/zinc/37/97/83/374379783.db2.gz DNZKUPYEKAQCHF-CQSZACIVSA-N 1 2 291.376 1.405 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1cccc(C#N)c1 ZINC000069862788 374621408 /nfs/dbraw/zinc/62/14/08/374621408.db2.gz RZTGCCPGDNYOJY-NSHDSACASA-N 1 2 266.366 1.423 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000069862788 374621413 /nfs/dbraw/zinc/62/14/13/374621413.db2.gz RZTGCCPGDNYOJY-NSHDSACASA-N 1 2 266.366 1.423 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000449528949 374818981 /nfs/dbraw/zinc/81/89/81/374818981.db2.gz TYEKUUDKHWLICD-HNNXBMFYSA-N 1 2 292.404 1.957 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000449528949 374818990 /nfs/dbraw/zinc/81/89/90/374818990.db2.gz TYEKUUDKHWLICD-HNNXBMFYSA-N 1 2 292.404 1.957 20 30 CDEDLO C[C@@H]1OCC[N@H+](CC(=O)NCc2cccc(C#N)c2)[C@H]1C ZINC000331174309 374898987 /nfs/dbraw/zinc/89/89/87/374898987.db2.gz PAMUUPPWXDBENG-STQMWFEESA-N 1 2 287.363 1.284 20 30 CDEDLO C[C@@H]1OCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)[C@H]1C ZINC000331174309 374898995 /nfs/dbraw/zinc/89/89/95/374898995.db2.gz PAMUUPPWXDBENG-STQMWFEESA-N 1 2 287.363 1.284 20 30 CDEDLO C[C@@H](C(=O)N(C)Cc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000330455719 374857085 /nfs/dbraw/zinc/85/70/85/374857085.db2.gz DXYHLKQUJOQRQK-ZDUSSCGKSA-N 1 2 287.363 1.237 20 30 CDEDLO N#Cc1csc(C[N@@H+]2CCO[C@H](Cn3cncn3)C2)c1 ZINC000331371574 374941038 /nfs/dbraw/zinc/94/10/38/374941038.db2.gz DTPFHNVSFWYAIG-LBPRGKRZSA-N 1 2 289.364 1.112 20 30 CDEDLO N#Cc1csc(C[N@H+]2CCO[C@H](Cn3cncn3)C2)c1 ZINC000331371574 374941044 /nfs/dbraw/zinc/94/10/44/374941044.db2.gz DTPFHNVSFWYAIG-LBPRGKRZSA-N 1 2 289.364 1.112 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)C[C@H](C2CC2)O1 ZINC000279455440 374906250 /nfs/dbraw/zinc/90/62/50/374906250.db2.gz ZTQIRMWKRMMKHE-MLGOLLRUSA-N 1 2 299.374 1.996 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)C[C@H](C2CC2)O1 ZINC000279455440 374906256 /nfs/dbraw/zinc/90/62/56/374906256.db2.gz ZTQIRMWKRMMKHE-MLGOLLRUSA-N 1 2 299.374 1.996 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000049001059 375390603 /nfs/dbraw/zinc/39/06/03/375390603.db2.gz QRQKMRWJZLITBM-NSHDSACASA-N 1 2 256.309 1.286 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000049001059 375390609 /nfs/dbraw/zinc/39/06/09/375390609.db2.gz QRQKMRWJZLITBM-NSHDSACASA-N 1 2 256.309 1.286 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CC1(O)CCC1 ZINC000353487670 375561536 /nfs/dbraw/zinc/56/15/36/375561536.db2.gz NEXOCQTZOZPCHS-AWEZNQCLSA-N 1 2 288.347 1.619 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CC1(O)CCC1 ZINC000353487670 375561541 /nfs/dbraw/zinc/56/15/41/375561541.db2.gz NEXOCQTZOZPCHS-AWEZNQCLSA-N 1 2 288.347 1.619 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135601374 375719447 /nfs/dbraw/zinc/71/94/47/375719447.db2.gz FLRYBNTYIORELG-GFCCVEGCSA-N 1 2 262.357 1.032 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135601374 375719449 /nfs/dbraw/zinc/71/94/49/375719449.db2.gz FLRYBNTYIORELG-GFCCVEGCSA-N 1 2 262.357 1.032 20 30 CDEDLO Cc1ccc(C#N)cc1NC(=O)NCCn1cc[nH+]c1 ZINC000058453528 375762767 /nfs/dbraw/zinc/76/27/67/375762767.db2.gz FHCPJVSCXPEJOE-UHFFFAOYSA-N 1 2 269.308 1.885 20 30 CDEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCCn1cc[nH+]c1 ZINC000133434313 375779182 /nfs/dbraw/zinc/77/91/82/375779182.db2.gz BGMXOUSGGURGRQ-UHFFFAOYSA-N 1 2 298.346 1.729 20 30 CDEDLO C[C@@H]1C[C@@H]1CNC(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328608257 375891683 /nfs/dbraw/zinc/89/16/83/375891683.db2.gz LXGVHNSCEUFOEW-IJLUTSLNSA-N 1 2 262.357 1.920 20 30 CDEDLO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1CF)C(=O)N1CCCCC1 ZINC000328779721 375968265 /nfs/dbraw/zinc/96/82/65/375968265.db2.gz FAHWLVBXIRASNP-STQMWFEESA-N 1 2 299.390 1.778 20 30 CDEDLO C[C@H](NC(=O)C[N@H+]1CCC[C@H]1CF)C(=O)N1CCCCC1 ZINC000328779721 375968269 /nfs/dbraw/zinc/96/82/69/375968269.db2.gz FAHWLVBXIRASNP-STQMWFEESA-N 1 2 299.390 1.778 20 30 CDEDLO CCC(=O)N1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000328673973 375916952 /nfs/dbraw/zinc/91/69/52/375916952.db2.gz JMLSWKMDPCZVKO-GFCCVEGCSA-N 1 2 297.399 1.065 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)NCC1(CO)CCCC1 ZINC000328753724 375944229 /nfs/dbraw/zinc/94/42/29/375944229.db2.gz DKJFARRVRJIRAK-UHFFFAOYSA-N 1 2 265.357 1.862 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)C[C@H](CC)O1 ZINC000420959245 376513050 /nfs/dbraw/zinc/51/30/50/376513050.db2.gz QCYUKTJQYNJITH-SOUVJXGZSA-N 1 2 295.427 1.884 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)C[C@H](CC)O1 ZINC000420959245 376513054 /nfs/dbraw/zinc/51/30/54/376513054.db2.gz QCYUKTJQYNJITH-SOUVJXGZSA-N 1 2 295.427 1.884 20 30 CDEDLO CC1(C)C[N@H+](CC#Cc2ccc(F)cc2)C[C@H](CO)O1 ZINC000420946218 376490688 /nfs/dbraw/zinc/49/06/88/376490688.db2.gz UGNGQQISCUQMEP-OAHLLOKOSA-N 1 2 277.339 1.649 20 30 CDEDLO CC1(C)C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H](CO)O1 ZINC000420946218 376490691 /nfs/dbraw/zinc/49/06/91/376490691.db2.gz UGNGQQISCUQMEP-OAHLLOKOSA-N 1 2 277.339 1.649 20 30 CDEDLO N#Cc1ccc(N2CCN(Cc3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000171948725 377192068 /nfs/dbraw/zinc/19/20/68/377192068.db2.gz XIWQSWLMMDRLCP-UHFFFAOYSA-N 1 2 285.326 1.743 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCc1ccc(COCC)cc1 ZINC000072906177 377204757 /nfs/dbraw/zinc/20/47/57/377204757.db2.gz UKVAHZBFGUSUBB-UHFFFAOYSA-N 1 2 298.386 1.408 20 30 CDEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000075996426 377457388 /nfs/dbraw/zinc/45/73/88/377457388.db2.gz ZSCRVOFHAPUFQY-UHFFFAOYSA-N 1 2 293.289 1.273 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCCc1ccccc1C ZINC000076185357 377465524 /nfs/dbraw/zinc/46/55/24/377465524.db2.gz XSVXBQHHZJKWCZ-UHFFFAOYSA-N 1 2 268.360 1.222 20 30 CDEDLO O=C(C1CC1)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000192214764 378175481 /nfs/dbraw/zinc/17/54/81/378175481.db2.gz WOPXVCANQNBWAL-UHFFFAOYSA-N 1 2 282.387 1.982 20 30 CDEDLO O=C(C1CC1)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000192214764 378175487 /nfs/dbraw/zinc/17/54/87/378175487.db2.gz WOPXVCANQNBWAL-UHFFFAOYSA-N 1 2 282.387 1.982 20 30 CDEDLO C=CCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000096658986 378448461 /nfs/dbraw/zinc/44/84/61/378448461.db2.gz JOMDTJVEAJMYMV-UHFFFAOYSA-N 1 2 281.381 1.110 20 30 CDEDLO N#CC1(CN2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000343615023 378927633 /nfs/dbraw/zinc/92/76/33/378927633.db2.gz CENPSJRZOGBANR-UHFFFAOYSA-N 1 2 256.353 1.503 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc(C#N)cc1F ZINC000042322237 379567998 /nfs/dbraw/zinc/56/79/98/379567998.db2.gz XIBODYUZIDMRLE-LLVKDONJSA-N 1 2 263.316 1.830 20 30 CDEDLO O=C1C[N@@H+](CC#Cc2ccc(F)cc2)[C@H]2CCCC[C@@H]2N1 ZINC000156882431 296333429 /nfs/dbraw/zinc/33/34/29/296333429.db2.gz NJWBMFWOCUZNKF-HOTGVXAUSA-N 1 2 286.350 1.920 20 30 CDEDLO O=C1C[N@H+](CC#Cc2ccc(F)cc2)[C@H]2CCCC[C@@H]2N1 ZINC000156882431 296333430 /nfs/dbraw/zinc/33/34/30/296333430.db2.gz NJWBMFWOCUZNKF-HOTGVXAUSA-N 1 2 286.350 1.920 20 30 CDEDLO Cc1cc(N2CC[C@H](CN3CCOC3=O)C2)c(C#N)c[nH+]1 ZINC000497290315 254056293 /nfs/dbraw/zinc/05/62/93/254056293.db2.gz UAUGDIFKQCDUQB-LBPRGKRZSA-N 1 2 286.335 1.540 20 30 CDEDLO COCCO[C@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000189741983 533201112 /nfs/dbraw/zinc/20/11/12/533201112.db2.gz DFJPXQQVCLPTMH-HNNXBMFYSA-N 1 2 278.327 1.935 20 30 CDEDLO COCCO[C@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000189741983 533201119 /nfs/dbraw/zinc/20/11/19/533201119.db2.gz DFJPXQQVCLPTMH-HNNXBMFYSA-N 1 2 278.327 1.935 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000332507121 260015044 /nfs/dbraw/zinc/01/50/44/260015044.db2.gz WAMLZUCDHUVNKB-YRGRVCCFSA-N 1 2 264.373 1.521 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N ZINC000332507121 260015046 /nfs/dbraw/zinc/01/50/46/260015046.db2.gz WAMLZUCDHUVNKB-YRGRVCCFSA-N 1 2 264.373 1.521 20 30 CDEDLO C[C@@H]([NH2+]Cc1ncnn1CCF)c1ccc(C#N)cc1 ZINC000281650633 195323090 /nfs/dbraw/zinc/32/30/90/195323090.db2.gz NMAFCUWMAUJTQA-LLVKDONJSA-N 1 2 273.315 1.970 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1cccnc1 ZINC000119432613 390848372 /nfs/dbraw/zinc/84/83/72/390848372.db2.gz FDNAQAXGFQPPTB-HNNXBMFYSA-N 1 2 274.368 1.568 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cccnc1 ZINC000119432613 390848377 /nfs/dbraw/zinc/84/83/77/390848377.db2.gz FDNAQAXGFQPPTB-HNNXBMFYSA-N 1 2 274.368 1.568 20 30 CDEDLO Cc1ccccc1CN(C)C(=O)[C@@H](C)O[NH+]=C(N)CCO ZINC000121323516 390883250 /nfs/dbraw/zinc/88/32/50/390883250.db2.gz LKFCDRBLIANMMA-GFCCVEGCSA-N 1 2 293.367 1.013 20 30 CDEDLO CC(C)(CC#N)CNc1[nH+]cnc(-n2cccn2)c1N ZINC000413407139 391024574 /nfs/dbraw/zinc/02/45/74/391024574.db2.gz LMJJHFUBPSVGKZ-UHFFFAOYSA-N 1 2 271.328 1.596 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000364494762 390964948 /nfs/dbraw/zinc/96/49/48/390964948.db2.gz KYPFDSAERQBTRH-AWEZNQCLSA-N 1 2 271.299 1.736 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000364494762 390964949 /nfs/dbraw/zinc/96/49/49/390964949.db2.gz KYPFDSAERQBTRH-AWEZNQCLSA-N 1 2 271.299 1.736 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CCC1CCOCC1 ZINC000329605097 391028294 /nfs/dbraw/zinc/02/82/94/391028294.db2.gz HGIWHKZMYIHKCY-ZDUSSCGKSA-N 1 2 284.400 1.870 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)CCC1CCOCC1 ZINC000329605097 391028298 /nfs/dbraw/zinc/02/82/98/391028298.db2.gz HGIWHKZMYIHKCY-ZDUSSCGKSA-N 1 2 284.400 1.870 20 30 CDEDLO O=C(NCC1([NH+]2CCOCC2)CC1)N[C@@H]1CC[C@@H](F)C1 ZINC000329443928 390989372 /nfs/dbraw/zinc/98/93/72/390989372.db2.gz KNGWNWXYUXTCTE-VXGBXAGGSA-N 1 2 285.363 1.245 20 30 CDEDLO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1COCCO1 ZINC000329511698 391001446 /nfs/dbraw/zinc/00/14/46/391001446.db2.gz CCCURPJZMJVHPS-KGLIPLIRSA-N 1 2 299.415 1.170 20 30 CDEDLO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1COCCO1 ZINC000329511698 391001448 /nfs/dbraw/zinc/00/14/48/391001448.db2.gz CCCURPJZMJVHPS-KGLIPLIRSA-N 1 2 299.415 1.170 20 30 CDEDLO CC(C)(C#N)c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000329707661 391087938 /nfs/dbraw/zinc/08/79/38/391087938.db2.gz KQOSDAXAIQOXHE-WDEREUQCSA-N 1 2 276.340 1.797 20 30 CDEDLO CC(C)(C#N)c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000329707661 391087943 /nfs/dbraw/zinc/08/79/43/391087943.db2.gz KQOSDAXAIQOXHE-WDEREUQCSA-N 1 2 276.340 1.797 20 30 CDEDLO C[C@H]1CC[C@@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000345286717 391117693 /nfs/dbraw/zinc/11/76/93/391117693.db2.gz NLLFCGDLODPXET-LSDHHAIUSA-N 1 2 293.411 1.497 20 30 CDEDLO C#C[C@H](NC(=O)N[C@H](C)c1[nH+]ccn1CC)C(C)C ZINC000491464455 391138592 /nfs/dbraw/zinc/13/85/92/391138592.db2.gz RCLXUNVNNARMMG-NEPJUHHUSA-N 1 2 262.357 1.921 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCC2(CC#N)CC2)C1 ZINC000374044396 391142180 /nfs/dbraw/zinc/14/21/80/391142180.db2.gz IDBRQMMQGGWFCB-GFCCVEGCSA-N 1 2 287.367 1.613 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000491485298 391145595 /nfs/dbraw/zinc/14/55/95/391145595.db2.gz OBCZMCPTFUMDKG-UONOGXRCSA-N 1 2 265.740 1.707 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000491485298 391145600 /nfs/dbraw/zinc/14/56/00/391145600.db2.gz OBCZMCPTFUMDKG-UONOGXRCSA-N 1 2 265.740 1.707 20 30 CDEDLO CCN1CC[N@H+](CCOc2ccccc2C#N)[C@H](C)C1=O ZINC000495211928 391160289 /nfs/dbraw/zinc/16/02/89/391160289.db2.gz PSBKUNKAHXWQSQ-CYBMUJFWSA-N 1 2 287.363 1.490 20 30 CDEDLO CCN1CC[N@@H+](CCOc2ccccc2C#N)[C@H](C)C1=O ZINC000495211928 391160293 /nfs/dbraw/zinc/16/02/93/391160293.db2.gz PSBKUNKAHXWQSQ-CYBMUJFWSA-N 1 2 287.363 1.490 20 30 CDEDLO CCN1CC[N@H+](CCOc2ccccc2C#N)[C@@H](C)C1=O ZINC000495211929 391161428 /nfs/dbraw/zinc/16/14/28/391161428.db2.gz PSBKUNKAHXWQSQ-ZDUSSCGKSA-N 1 2 287.363 1.490 20 30 CDEDLO CCN1CC[N@@H+](CCOc2ccccc2C#N)[C@@H](C)C1=O ZINC000495211929 391161431 /nfs/dbraw/zinc/16/14/31/391161431.db2.gz PSBKUNKAHXWQSQ-ZDUSSCGKSA-N 1 2 287.363 1.490 20 30 CDEDLO N#CCc1cccc(C(=O)Nc2cc[nH+]cc2O)c1 ZINC000345383511 391168000 /nfs/dbraw/zinc/16/80/00/391168000.db2.gz VLDZVEAOTGETEE-UHFFFAOYSA-N 1 2 253.261 1.527 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCCC#N)CCOC)n1 ZINC000491707023 391224383 /nfs/dbraw/zinc/22/43/83/391224383.db2.gz LCLCCFCAMCITGK-UHFFFAOYSA-N 1 2 260.341 1.268 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCCC#N)CCOC)n1 ZINC000491707023 391224387 /nfs/dbraw/zinc/22/43/87/391224387.db2.gz LCLCCFCAMCITGK-UHFFFAOYSA-N 1 2 260.341 1.268 20 30 CDEDLO CC[C@@H](C(=O)NCC1(C#N)CCC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000416346212 391285055 /nfs/dbraw/zinc/28/50/55/391285055.db2.gz KBTFGCHAVSVVLY-KBPBESRZSA-N 1 2 293.411 1.686 20 30 CDEDLO CC[C@@H](C(=O)NCC1(C#N)CCC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000416346212 391285056 /nfs/dbraw/zinc/28/50/56/391285056.db2.gz KBTFGCHAVSVVLY-KBPBESRZSA-N 1 2 293.411 1.686 20 30 CDEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000345813959 391317200 /nfs/dbraw/zinc/31/72/00/391317200.db2.gz PUMBHTREHGLLRU-VXGBXAGGSA-N 1 2 265.357 1.048 20 30 CDEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000345813959 391317202 /nfs/dbraw/zinc/31/72/02/391317202.db2.gz PUMBHTREHGLLRU-VXGBXAGGSA-N 1 2 265.357 1.048 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000335140661 391328842 /nfs/dbraw/zinc/32/88/42/391328842.db2.gz WZKRAYNXCPLGOG-WDEREUQCSA-N 1 2 259.313 1.101 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCCc1ccccc1OC ZINC000339761624 391351051 /nfs/dbraw/zinc/35/10/51/391351051.db2.gz SMTUCSPBSDUBIA-UHFFFAOYSA-N 1 2 274.364 1.309 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCCc1ccccc1OC ZINC000339761624 391351053 /nfs/dbraw/zinc/35/10/53/391351053.db2.gz SMTUCSPBSDUBIA-UHFFFAOYSA-N 1 2 274.364 1.309 20 30 CDEDLO C=CCOc1ccccc1C[N@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000355263197 391446325 /nfs/dbraw/zinc/44/63/25/391446325.db2.gz LYYLUUILZPHIHE-WFASDCNBSA-N 1 2 290.363 1.326 20 30 CDEDLO C=CCOc1ccccc1C[N@@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000355263197 391446329 /nfs/dbraw/zinc/44/63/29/391446329.db2.gz LYYLUUILZPHIHE-WFASDCNBSA-N 1 2 290.363 1.326 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](C)OC[C@@H]1CC ZINC000355282433 391446902 /nfs/dbraw/zinc/44/69/02/391446902.db2.gz ROZOVCZFUKMCTQ-KBPBESRZSA-N 1 2 268.401 1.910 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](C)OC[C@@H]1CC ZINC000355282433 391446904 /nfs/dbraw/zinc/44/69/04/391446904.db2.gz ROZOVCZFUKMCTQ-KBPBESRZSA-N 1 2 268.401 1.910 20 30 CDEDLO Cc1[nH+]ccn1CCC[NH+]=C([O-])N1C[C@@H](C)OC(C)(C)C1 ZINC000330398351 391415835 /nfs/dbraw/zinc/41/58/35/391415835.db2.gz QCXOMDDJHUDWQO-GFCCVEGCSA-N 1 2 294.399 1.995 20 30 CDEDLO C[N@H+](CCC#N)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000359609200 391605258 /nfs/dbraw/zinc/60/52/58/391605258.db2.gz GUZZAUBJJVHVHN-GFCCVEGCSA-N 1 2 251.374 1.869 20 30 CDEDLO C[N@@H+](CCC#N)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000359609200 391605259 /nfs/dbraw/zinc/60/52/59/391605259.db2.gz GUZZAUBJJVHVHN-GFCCVEGCSA-N 1 2 251.374 1.869 20 30 CDEDLO C[C@]1(O)CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329750246 391770775 /nfs/dbraw/zinc/77/07/75/391770775.db2.gz UWHCJQNUBRXGPI-ABAIWWIYSA-N 1 2 292.383 1.418 20 30 CDEDLO C[C@]1(O)CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329750246 391770778 /nfs/dbraw/zinc/77/07/78/391770778.db2.gz UWHCJQNUBRXGPI-ABAIWWIYSA-N 1 2 292.383 1.418 20 30 CDEDLO Cn1cc(C[NH+]2CCN(CC(F)(F)F)CC2)cc1C#N ZINC000191201213 130201062 /nfs/dbraw/zinc/20/10/62/130201062.db2.gz JBQDJPRYQWOUEA-UHFFFAOYSA-N 1 2 286.301 1.577 20 30 CDEDLO CNC(=O)N[C@H]1CC[N@H+](Cc2nc(C3CC3)cs2)C1 ZINC000329829511 391785572 /nfs/dbraw/zinc/78/55/72/391785572.db2.gz JTNSYZAZTMMEDL-JTQLQIEISA-N 1 2 280.397 1.728 20 30 CDEDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2nc(C3CC3)cs2)C1 ZINC000329829511 391785574 /nfs/dbraw/zinc/78/55/74/391785574.db2.gz JTNSYZAZTMMEDL-JTQLQIEISA-N 1 2 280.397 1.728 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCOCC2)C1 ZINC000329888517 391794925 /nfs/dbraw/zinc/79/49/25/391794925.db2.gz ZAHKHVULDGFURI-NWDGAFQWSA-N 1 2 256.346 1.090 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCOCC2)C1 ZINC000329888517 391794928 /nfs/dbraw/zinc/79/49/28/391794928.db2.gz ZAHKHVULDGFURI-NWDGAFQWSA-N 1 2 256.346 1.090 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(C)CCOc1ccccc1F ZINC000192233445 130399040 /nfs/dbraw/zinc/39/90/40/130399040.db2.gz PWPLPIKZSNWKCU-UHFFFAOYSA-N 1 2 278.327 1.228 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N(C)CCOc1ccccc1F ZINC000192233445 130399042 /nfs/dbraw/zinc/39/90/42/130399042.db2.gz PWPLPIKZSNWKCU-UHFFFAOYSA-N 1 2 278.327 1.228 20 30 CDEDLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192015983 392011821 /nfs/dbraw/zinc/01/18/21/392011821.db2.gz KMWHLSXTZVGHLR-AWEZNQCLSA-N 1 2 275.327 1.654 20 30 CDEDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192015983 392011824 /nfs/dbraw/zinc/01/18/24/392011824.db2.gz KMWHLSXTZVGHLR-AWEZNQCLSA-N 1 2 275.327 1.654 20 30 CDEDLO COc1cc[nH+]cc1NC(=O)C(=O)N(C)CC(C)(C)C#N ZINC000342934782 392066137 /nfs/dbraw/zinc/06/61/37/392066137.db2.gz NZKIBCIRQQVKQI-UHFFFAOYSA-N 1 2 290.323 1.037 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C)C[C@H]1C(=O)OC ZINC000275011635 392142496 /nfs/dbraw/zinc/14/24/96/392142496.db2.gz RLODETZEWIWZLG-KBPBESRZSA-N 1 2 296.411 1.685 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](C)C[C@H]1C(=O)OC ZINC000275011635 392142497 /nfs/dbraw/zinc/14/24/97/392142497.db2.gz RLODETZEWIWZLG-KBPBESRZSA-N 1 2 296.411 1.685 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412043595 392817575 /nfs/dbraw/zinc/81/75/75/392817575.db2.gz VKSGPSKCUKWDPL-GLQYFDAESA-N 1 2 288.347 1.475 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412043595 392817584 /nfs/dbraw/zinc/81/75/84/392817584.db2.gz VKSGPSKCUKWDPL-GLQYFDAESA-N 1 2 288.347 1.475 20 30 CDEDLO COCC[N@H+](Cc1nc(C#N)cs1)[C@@H]1CCO[C@H]1C ZINC000419305677 392890106 /nfs/dbraw/zinc/89/01/06/392890106.db2.gz LPMVGWWAHWRPIK-CMPLNLGQSA-N 1 2 281.381 1.641 20 30 CDEDLO COCC[N@@H+](Cc1nc(C#N)cs1)[C@@H]1CCO[C@H]1C ZINC000419305677 392890115 /nfs/dbraw/zinc/89/01/15/392890115.db2.gz LPMVGWWAHWRPIK-CMPLNLGQSA-N 1 2 281.381 1.641 20 30 CDEDLO CC1(C)C[N@H+](Cc2ccc(C#N)s2)C[C@@H](CO)O1 ZINC000421364609 392933772 /nfs/dbraw/zinc/93/37/72/392933772.db2.gz SJXYZALTCXVFQI-JTQLQIEISA-N 1 2 266.366 1.591 20 30 CDEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)C[C@@H](CO)O1 ZINC000421364609 392933776 /nfs/dbraw/zinc/93/37/76/392933776.db2.gz SJXYZALTCXVFQI-JTQLQIEISA-N 1 2 266.366 1.591 20 30 CDEDLO C=CCCS(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000268815140 132070610 /nfs/dbraw/zinc/07/06/10/132070610.db2.gz VPGMTZWVEXFSAN-LLVKDONJSA-N 1 2 269.370 1.495 20 30 CDEDLO C=CCCS(=O)(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000268844944 132076008 /nfs/dbraw/zinc/07/60/08/132076008.db2.gz IVVLJBQHEOQORO-UHFFFAOYSA-N 1 2 269.370 1.143 20 30 CDEDLO Cc1cc(NCc2ccc(N(C)C)[nH+]c2)c(C#N)cn1 ZINC000425201630 392991934 /nfs/dbraw/zinc/99/19/34/392991934.db2.gz ATJGEHKYWJHNKW-UHFFFAOYSA-N 1 2 267.336 1.757 20 30 CDEDLO CCO[C@H]1C[C@](O)(CNc2cc(C)[nH+]cc2C#N)C1(C)C ZINC000425252412 393005280 /nfs/dbraw/zinc/00/52/80/393005280.db2.gz HDQZMITUHMDHEY-HOCLYGCPSA-N 1 2 289.379 1.662 20 30 CDEDLO COc1ccc([C@@H](CO)CNc2cc(C)[nH+]cc2C#N)cc1 ZINC000425268635 393009946 /nfs/dbraw/zinc/00/99/46/393009946.db2.gz PHUIALSSCJKHFH-OAHLLOKOSA-N 1 2 297.358 1.880 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000429574377 393082423 /nfs/dbraw/zinc/08/24/23/393082423.db2.gz GOPQRYOSXIHETR-ODXCJYRJSA-N 1 2 292.404 1.910 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000429574377 393082436 /nfs/dbraw/zinc/08/24/36/393082436.db2.gz GOPQRYOSXIHETR-ODXCJYRJSA-N 1 2 292.404 1.910 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccc(C#N)cn1)CCC2 ZINC000533101068 393081083 /nfs/dbraw/zinc/08/10/83/393081083.db2.gz WZPDXAYSWLAYSY-ZDUSSCGKSA-N 1 2 295.346 1.766 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000448584770 393121983 /nfs/dbraw/zinc/12/19/83/393121983.db2.gz GLQONCHSHFDHNV-UHFFFAOYSA-N 1 2 290.367 1.035 20 30 CDEDLO C[C@@H](O)C(=O)N1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000186354548 140059318 /nfs/dbraw/zinc/05/93/18/140059318.db2.gz UIIZZCUQEVFGGG-CHWSQXEVSA-N 1 2 287.363 1.144 20 30 CDEDLO N#Cc1cccc(CN2CC[C@@H]([NH+]3CCOCC3)C2)c1F ZINC000223547458 140172761 /nfs/dbraw/zinc/17/27/61/140172761.db2.gz ICSISPGMPIUWOE-OAHLLOKOSA-N 1 2 289.354 1.604 20 30 CDEDLO N#Cc1ccc(NCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000094591727 147093041 /nfs/dbraw/zinc/09/30/41/147093041.db2.gz RPFZJPSQWPNGSP-UHFFFAOYSA-N 1 2 257.253 1.775 20 30 CDEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc(C#N)s1 ZINC000335134062 150323809 /nfs/dbraw/zinc/32/38/09/150323809.db2.gz FQBREFIBTYGJMG-VHSXEESVSA-N 1 2 263.366 1.784 20 30 CDEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc(C#N)s1 ZINC000335134062 150323813 /nfs/dbraw/zinc/32/38/13/150323813.db2.gz FQBREFIBTYGJMG-VHSXEESVSA-N 1 2 263.366 1.784 20 30 CDEDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000335850614 151073299 /nfs/dbraw/zinc/07/32/99/151073299.db2.gz QSZGQMWKPFHTLU-GFCCVEGCSA-N 1 2 292.770 1.715 20 30 CDEDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000335850614 151073300 /nfs/dbraw/zinc/07/33/00/151073300.db2.gz QSZGQMWKPFHTLU-GFCCVEGCSA-N 1 2 292.770 1.715 20 30 CDEDLO N#Cc1cccc(CCNC(=O)NCCn2cc[nH+]c2)c1 ZINC000346057752 153038195 /nfs/dbraw/zinc/03/81/95/153038195.db2.gz VZKKVSYCWNOKOS-UHFFFAOYSA-N 1 2 283.335 1.297 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@H](CC)c2ccccn2)nn1 ZINC000656468212 413326110 /nfs/dbraw/zinc/32/61/10/413326110.db2.gz XORUEOGQFGHWRY-OAHLLOKOSA-N 1 2 269.352 1.785 20 30 CDEDLO C[C@@H]1CCN(C(=O)c2cnccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000358851201 158051292 /nfs/dbraw/zinc/05/12/92/158051292.db2.gz KDQLDXDPQYIJIJ-DOMZBBRYSA-N 1 2 295.346 1.873 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cnccc1C#N)CCC2 ZINC000358923412 158073030 /nfs/dbraw/zinc/07/30/30/158073030.db2.gz VCIMFCXSQASLFP-CYBMUJFWSA-N 1 2 295.346 1.766 20 30 CDEDLO N#Cc1cccc([C@@H]2CN(Cc3c[nH+]c[nH]3)CCO2)c1 ZINC000371463081 160012875 /nfs/dbraw/zinc/01/28/75/160012875.db2.gz GZKKMYBIKWNQPE-HNNXBMFYSA-N 1 2 268.320 1.855 20 30 CDEDLO N#Cc1cccc([C@@H]2CN(Cc3c[nH]c[nH+]3)CCO2)c1 ZINC000371463081 160012878 /nfs/dbraw/zinc/01/28/78/160012878.db2.gz GZKKMYBIKWNQPE-HNNXBMFYSA-N 1 2 268.320 1.855 20 30 CDEDLO COCC#CC[N@@H+](CCOC)Cc1c(C)nn(C)c1C ZINC000656635350 413501365 /nfs/dbraw/zinc/50/13/65/413501365.db2.gz KYBAYVWZOURTNG-UHFFFAOYSA-N 1 2 279.384 1.135 20 30 CDEDLO COCC#CC[N@H+](CCOC)Cc1c(C)nn(C)c1C ZINC000656635350 413501375 /nfs/dbraw/zinc/50/13/75/413501375.db2.gz KYBAYVWZOURTNG-UHFFFAOYSA-N 1 2 279.384 1.135 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660850738 413568947 /nfs/dbraw/zinc/56/89/47/413568947.db2.gz RXBIVBJAFZZEMD-SNVBAGLBSA-N 1 2 282.344 1.020 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660850738 413568956 /nfs/dbraw/zinc/56/89/56/413568956.db2.gz RXBIVBJAFZZEMD-SNVBAGLBSA-N 1 2 282.344 1.020 20 30 CDEDLO C=CC[N@@H+](CCS(=O)(=O)N(C)C)Cc1ccccc1 ZINC000285289978 196242378 /nfs/dbraw/zinc/24/23/78/196242378.db2.gz SWEFSKGCCCYKAB-UHFFFAOYSA-N 1 2 282.409 1.566 20 30 CDEDLO C=CC[N@H+](CCS(=O)(=O)N(C)C)Cc1ccccc1 ZINC000285289978 196242380 /nfs/dbraw/zinc/24/23/80/196242380.db2.gz SWEFSKGCCCYKAB-UHFFFAOYSA-N 1 2 282.409 1.566 20 30 CDEDLO C=CCCCNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000664784926 413652459 /nfs/dbraw/zinc/65/24/59/413652459.db2.gz NRBPWRCIDKSOSS-LBPRGKRZSA-N 1 2 294.399 1.745 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660992473 413712468 /nfs/dbraw/zinc/71/24/68/413712468.db2.gz RYCWUCGQHBIHAP-LSDHHAIUSA-N 1 2 295.427 1.847 20 30 CDEDLO C=CCN(CCOC)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000655025104 413932618 /nfs/dbraw/zinc/93/26/18/413932618.db2.gz JTOBTJVYQANRMS-LLVKDONJSA-N 1 2 251.330 1.249 20 30 CDEDLO C=CCN(CCOC)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000655025104 413932623 /nfs/dbraw/zinc/93/26/23/413932623.db2.gz JTOBTJVYQANRMS-LLVKDONJSA-N 1 2 251.330 1.249 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2scnc2C)nn1 ZINC000657350569 414214440 /nfs/dbraw/zinc/21/44/40/414214440.db2.gz UCQVNNWXMVXTRM-UHFFFAOYSA-N 1 2 263.370 1.909 20 30 CDEDLO C=CCCn1cc(CN[C@@H](C)c2[nH+]ccn2CC)nn1 ZINC000657482759 414387532 /nfs/dbraw/zinc/38/75/32/414387532.db2.gz HEYBKTKJWBHSNU-LBPRGKRZSA-N 1 2 274.372 1.921 20 30 CDEDLO C[C@@H]1COCC[C@@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000330337072 228156186 /nfs/dbraw/zinc/15/61/86/228156186.db2.gz SXUQPGVYKYIKHS-OLZOCXBDSA-N 1 2 299.415 1.026 20 30 CDEDLO CS(=O)(=O)CCCO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000103136201 260609730 /nfs/dbraw/zinc/60/97/30/260609730.db2.gz BXIWHEFCFBNPHR-UHFFFAOYSA-N 1 2 292.307 1.036 20 30 CDEDLO C#CC[N@@H+]([C@@H](C)Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 ZINC000490949455 261262131 /nfs/dbraw/zinc/26/21/31/261262131.db2.gz KLPPXKDSBUHMLM-GXTWGEPZSA-N 1 2 297.445 1.801 20 30 CDEDLO C#CC[N@H+]([C@@H](C)Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 ZINC000490949455 261262134 /nfs/dbraw/zinc/26/21/34/261262134.db2.gz KLPPXKDSBUHMLM-GXTWGEPZSA-N 1 2 297.445 1.801 20 30 CDEDLO C#CCN(C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000491820592 262100243 /nfs/dbraw/zinc/10/02/43/262100243.db2.gz YBZQATXNHVWMJF-UHFFFAOYSA-N 1 2 260.341 1.037 20 30 CDEDLO C=CCC1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCC1 ZINC000365092639 262278343 /nfs/dbraw/zinc/27/83/43/262278343.db2.gz QPXXLHZJTWKQAL-AWEZNQCLSA-N 1 2 278.396 1.666 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)COc1ccccc1F ZINC000263740289 262853133 /nfs/dbraw/zinc/85/31/33/262853133.db2.gz USTZGJUXUOBHRQ-VXGBXAGGSA-N 1 2 266.316 1.657 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)COc1ccccc1F ZINC000263740289 262853134 /nfs/dbraw/zinc/85/31/34/262853134.db2.gz USTZGJUXUOBHRQ-VXGBXAGGSA-N 1 2 266.316 1.657 20 30 CDEDLO CSc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)CCO)cc1 ZINC000275480167 263033410 /nfs/dbraw/zinc/03/34/10/263033410.db2.gz NAVKDIUZIRZWKR-VIFPVBQESA-N 1 2 297.380 1.407 20 30 CDEDLO NC(CCO)=[NH+]OCc1ccc(C(F)(F)F)cn1 ZINC000277680588 263042925 /nfs/dbraw/zinc/04/29/25/263042925.db2.gz UHXSQFPJIIEBIP-UHFFFAOYSA-N 1 2 263.219 1.272 20 30 CDEDLO CCCCCCCS(=O)(=O)NCc1[nH+]ccn1C ZINC000282446634 263076701 /nfs/dbraw/zinc/07/67/01/263076701.db2.gz HAMMFYKOQACOHL-UHFFFAOYSA-N 1 2 273.402 1.810 20 30 CDEDLO CC(C)n1ccc(CO[NH+]=C(N)[C@@H]2CCCO2)n1 ZINC000283758810 263083997 /nfs/dbraw/zinc/08/39/97/263083997.db2.gz ASEBTGNWYZGRHA-NSHDSACASA-N 1 2 252.318 1.432 20 30 CDEDLO COc1ccc(CCO[NH+]=C(N)[C@H]2CCCO2)cc1 ZINC000283981192 263085220 /nfs/dbraw/zinc/08/52/20/263085220.db2.gz GTFPWPGIYLHRJQ-CYBMUJFWSA-N 1 2 264.325 1.706 20 30 CDEDLO CC(C)Cc1noc(CO[NH+]=C(N)[C@H]2CCCO2)n1 ZINC000284575356 263087297 /nfs/dbraw/zinc/08/72/97/263087297.db2.gz XDRPBQKKCOFQIF-SECBINFHSA-N 1 2 268.317 1.236 20 30 CDEDLO NC(COc1ccccc1)=[NH+]OCCOC1CCC1 ZINC000288422051 263104177 /nfs/dbraw/zinc/10/41/77/263104177.db2.gz CQHUFWCMBGKDEV-UHFFFAOYSA-N 1 2 264.325 1.923 20 30 CDEDLO C[C@H](C#N)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000330574720 263977858 /nfs/dbraw/zinc/97/78/58/263977858.db2.gz NYYLWTMRJFABDD-IJLUTSLNSA-N 1 2 258.325 1.182 20 30 CDEDLO C[C@@H](C#N)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000330700886 264016626 /nfs/dbraw/zinc/01/66/26/264016626.db2.gz GSCIWDUBAWMFLM-LBPRGKRZSA-N 1 2 273.336 1.735 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCO[C@@H](c2noc(C)n2)C1 ZINC000330773717 264034253 /nfs/dbraw/zinc/03/42/53/264034253.db2.gz QQSHFPKPNZYNQM-NWDGAFQWSA-N 1 2 267.329 1.078 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCO[C@@H](c2noc(C)n2)C1 ZINC000330773717 264034256 /nfs/dbraw/zinc/03/42/56/264034256.db2.gz QQSHFPKPNZYNQM-NWDGAFQWSA-N 1 2 267.329 1.078 20 30 CDEDLO Cc1[nH]ncc1CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000330848446 264067472 /nfs/dbraw/zinc/06/74/72/264067472.db2.gz PQYCGYAORULGQT-NSHDSACASA-N 1 2 281.404 1.698 20 30 CDEDLO CC[C@@H](C(=O)NCC(C)(C)C#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000331115925 264128944 /nfs/dbraw/zinc/12/89/44/264128944.db2.gz DPRUNYHKRGATKJ-OLZOCXBDSA-N 1 2 281.400 1.542 20 30 CDEDLO CC[C@@H](C(=O)NCC(C)(C)C#N)[N@H+]1CCO[C@H](CC)C1 ZINC000331115925 264128946 /nfs/dbraw/zinc/12/89/46/264128946.db2.gz DPRUNYHKRGATKJ-OLZOCXBDSA-N 1 2 281.400 1.542 20 30 CDEDLO Cc1nscc1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000331347736 264205537 /nfs/dbraw/zinc/20/55/37/264205537.db2.gz MOSBXIJVHPVZDM-UHFFFAOYSA-N 1 2 283.397 1.867 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000425455840 264329412 /nfs/dbraw/zinc/32/94/12/264329412.db2.gz UYFHMWVFEIPSMO-QWHCGFSZSA-N 1 2 287.367 1.875 20 30 CDEDLO C=CC[N@@H+](CCOC)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000362046310 423776833 /nfs/dbraw/zinc/77/68/33/423776833.db2.gz GZFAGMKLAGVABK-CQSZACIVSA-N 1 2 273.336 1.219 20 30 CDEDLO C=CC[N@H+](CCOC)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000362046310 423776842 /nfs/dbraw/zinc/77/68/42/423776842.db2.gz GZFAGMKLAGVABK-CQSZACIVSA-N 1 2 273.336 1.219 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425499980 264363142 /nfs/dbraw/zinc/36/31/42/264363142.db2.gz KROVZIAZILNIDQ-STQMWFEESA-N 1 2 258.329 1.359 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425499980 264363143 /nfs/dbraw/zinc/36/31/43/264363143.db2.gz KROVZIAZILNIDQ-STQMWFEESA-N 1 2 258.329 1.359 20 30 CDEDLO C=C[C@H](C)Nc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000663711101 423974771 /nfs/dbraw/zinc/97/47/71/423974771.db2.gz WQHDXLNPJKJMOG-NSHDSACASA-N 1 2 262.357 1.814 20 30 CDEDLO C=C[C@H](C)Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663711101 423974780 /nfs/dbraw/zinc/97/47/80/423974780.db2.gz WQHDXLNPJKJMOG-NSHDSACASA-N 1 2 262.357 1.814 20 30 CDEDLO C=CC[N@H+](Cc1cc(C(C)=O)no1)[C@@H](C)COC ZINC000661239294 424070547 /nfs/dbraw/zinc/07/05/47/424070547.db2.gz DXNXJNUOLRDUPO-JTQLQIEISA-N 1 2 252.314 1.900 20 30 CDEDLO C=CC[N@@H+](Cc1cc(C(C)=O)no1)[C@@H](C)COC ZINC000661239294 424070558 /nfs/dbraw/zinc/07/05/58/424070558.db2.gz DXNXJNUOLRDUPO-JTQLQIEISA-N 1 2 252.314 1.900 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CC[C@H](OCCOCC)C2)nn1 ZINC000653588333 424310761 /nfs/dbraw/zinc/31/07/61/424310761.db2.gz PFFMUWGMNXDZPX-HNNXBMFYSA-N 1 2 294.399 1.482 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](OCCOCC)C2)nn1 ZINC000653588333 424310766 /nfs/dbraw/zinc/31/07/66/424310766.db2.gz PFFMUWGMNXDZPX-HNNXBMFYSA-N 1 2 294.399 1.482 20 30 CDEDLO CCOC(=O)C[N@H+](CC)CCOc1ccccc1C#N ZINC000195202536 265364948 /nfs/dbraw/zinc/36/49/48/265364948.db2.gz SKESDWGJRIYUOC-UHFFFAOYSA-N 1 2 276.336 1.822 20 30 CDEDLO CCOC(=O)C[N@@H+](CC)CCOc1ccccc1C#N ZINC000195202536 265364951 /nfs/dbraw/zinc/36/49/51/265364951.db2.gz SKESDWGJRIYUOC-UHFFFAOYSA-N 1 2 276.336 1.822 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCCO[C@H](CC)C2)nn1 ZINC000653660638 424396506 /nfs/dbraw/zinc/39/65/06/424396506.db2.gz KIJBMLQAMSZANQ-CQSZACIVSA-N 1 2 264.373 1.855 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCCO[C@H](CC)C2)nn1 ZINC000653660638 424396512 /nfs/dbraw/zinc/39/65/12/424396512.db2.gz KIJBMLQAMSZANQ-CQSZACIVSA-N 1 2 264.373 1.855 20 30 CDEDLO C=CCCC1(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000356192908 266068765 /nfs/dbraw/zinc/06/87/65/266068765.db2.gz ORAQZNKXKSCLCG-AWEZNQCLSA-N 1 2 278.396 1.666 20 30 CDEDLO C#CC(C)(C)[N@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000368491557 267177766 /nfs/dbraw/zinc/17/77/66/267177766.db2.gz VSGYSHFBZOKGRD-UHFFFAOYSA-N 1 2 256.309 1.975 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000368491557 267177769 /nfs/dbraw/zinc/17/77/69/267177769.db2.gz VSGYSHFBZOKGRD-UHFFFAOYSA-N 1 2 256.309 1.975 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CCNc1cc(C#N)ncn1 ZINC000526137969 268080106 /nfs/dbraw/zinc/08/01/06/268080106.db2.gz FHHDJTYJOSRBFP-UHFFFAOYSA-N 1 2 278.319 1.540 20 30 CDEDLO CC1(C)CCCN1C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330235996 276105152 /nfs/dbraw/zinc/10/51/52/276105152.db2.gz ADFZRRDIGKTSAV-NSHDSACASA-N 1 2 262.357 1.986 20 30 CDEDLO CC1(C)CCCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330235996 276105155 /nfs/dbraw/zinc/10/51/55/276105155.db2.gz ADFZRRDIGKTSAV-NSHDSACASA-N 1 2 262.357 1.986 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000332149560 276870905 /nfs/dbraw/zinc/87/09/05/276870905.db2.gz MUWUCRFAGHDGDQ-GUTXKFCHSA-N 1 2 289.379 1.543 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)Nc1ccccc1C ZINC000299374831 277683264 /nfs/dbraw/zinc/68/32/64/277683264.db2.gz SDERUFJZPZTNAZ-CQSZACIVSA-N 1 2 254.333 1.890 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccon3)CC2)cc1 ZINC000077247328 279229406 /nfs/dbraw/zinc/22/94/06/279229406.db2.gz JCFIWIKQCINKKV-UHFFFAOYSA-N 1 2 282.347 1.864 20 30 CDEDLO C[C@H]1CCN(C(=O)c2ccc(C#N)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000126003652 279482439 /nfs/dbraw/zinc/48/24/39/279482439.db2.gz GSSJJRWXVSUVTK-WFASDCNBSA-N 1 2 295.346 1.873 20 30 CDEDLO N#Cc1nccc(N2CC[NH+](Cc3ccco3)CC2)n1 ZINC000517585208 281005910 /nfs/dbraw/zinc/00/59/10/281005910.db2.gz COAHYPFTPUKTAV-UHFFFAOYSA-N 1 2 269.308 1.263 20 30 CDEDLO Cc1ccnc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1C#N ZINC000376209823 292781329 /nfs/dbraw/zinc/78/13/29/292781329.db2.gz XFZYZGWZRVLUHF-KBPBESRZSA-N 1 2 286.379 1.561 20 30 CDEDLO N#Cc1cnc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)nc1 ZINC000564552878 293370925 /nfs/dbraw/zinc/37/09/25/293370925.db2.gz QHGBYMFOWLBOSA-CQSZACIVSA-N 1 2 272.352 1.739 20 30 CDEDLO N#Cc1cnc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)nc1 ZINC000564552878 293370926 /nfs/dbraw/zinc/37/09/26/293370926.db2.gz QHGBYMFOWLBOSA-CQSZACIVSA-N 1 2 272.352 1.739 20 30 CDEDLO N#Cc1ncn(CCCc2[nH]c3ccccc3[nH+]2)n1 ZINC000571116349 294372732 /nfs/dbraw/zinc/37/27/32/294372732.db2.gz APXNCIFWUBJPBV-UHFFFAOYSA-N 1 2 252.281 1.659 20 30 CDEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000563367615 328059767 /nfs/dbraw/zinc/05/97/67/328059767.db2.gz WGLCTXVDBIUQOO-ZYHUDNBSSA-N 1 2 288.351 1.394 20 30 CDEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000571652708 328213602 /nfs/dbraw/zinc/21/36/02/328213602.db2.gz CHOZLUPXBRQLGP-CMPLNLGQSA-N 1 2 277.372 1.646 20 30 CDEDLO N#CCN1CC[NH+](Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000279556814 328233067 /nfs/dbraw/zinc/23/30/67/328233067.db2.gz DYBQKPQKJLNAJI-UHFFFAOYSA-N 1 2 299.353 1.653 20 30 CDEDLO NC(=[NH+]OCC(=O)NCCC1=CCCCC1)[C@H]1CCCO1 ZINC000284610643 328246326 /nfs/dbraw/zinc/24/63/26/328246326.db2.gz YYDHYNNRXGFLKI-CYBMUJFWSA-N 1 2 295.383 1.461 20 30 CDEDLO COCC(C)(C)C/[NH+]=C/c1c(O)c(C)ncc1CO ZINC000291862509 328267043 /nfs/dbraw/zinc/26/70/43/328267043.db2.gz IXPOLJNDROFTOQ-GIDUJCDVSA-N 1 2 266.341 1.679 20 30 CDEDLO C=CC[N@@H+](CCC#N)CCNC(=O)OC(C)(C)C ZINC000292172178 328268434 /nfs/dbraw/zinc/26/84/34/328268434.db2.gz LWUFZVYIKCFCMJ-UHFFFAOYSA-N 1 2 253.346 1.913 20 30 CDEDLO C=CC[N@H+](CCC#N)CCNC(=O)OC(C)(C)C ZINC000292172178 328268436 /nfs/dbraw/zinc/26/84/36/328268436.db2.gz LWUFZVYIKCFCMJ-UHFFFAOYSA-N 1 2 253.346 1.913 20 30 CDEDLO C#CCOCCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000366741704 328413705 /nfs/dbraw/zinc/41/37/05/328413705.db2.gz XTNNEPWGHHVTKK-LBPRGKRZSA-N 1 2 261.325 1.156 20 30 CDEDLO COc1c(C)c[nH+]c(Cn2cc(C#N)ccc2=O)c1C ZINC000380284561 323613066 /nfs/dbraw/zinc/61/30/66/323613066.db2.gz CBWVVZOCYMOGBK-UHFFFAOYSA-N 1 2 269.304 1.789 20 30 CDEDLO C#CCN(CC#C)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255388511 326968673 /nfs/dbraw/zinc/96/86/73/326968673.db2.gz MJOHOCMWFJZMNC-YFHOEESVSA-N 1 2 289.338 1.981 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1ccc(F)cc1 ZINC000558898027 327130156 /nfs/dbraw/zinc/13/01/56/327130156.db2.gz GEJHGNXQBLWAFS-CQSZACIVSA-N 1 2 279.315 1.165 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC(=O)NCc1ccccc1 ZINC000569618345 327331532 /nfs/dbraw/zinc/33/15/32/327331532.db2.gz FYTNADRMPQTKAS-CYBMUJFWSA-N 1 2 288.351 1.294 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc2cnccc21 ZINC000565052526 327424047 /nfs/dbraw/zinc/42/40/47/327424047.db2.gz ZMPUFKGGXHTSIB-MRXNPFEDSA-N 1 2 282.347 1.808 20 30 CDEDLO N#CCc1ccnc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000532763739 328808612 /nfs/dbraw/zinc/80/86/12/328808612.db2.gz JBBOMZIJIWXHGE-GFCCVEGCSA-N 1 2 281.319 1.545 20 30 CDEDLO C=CCCCC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000175592512 329169830 /nfs/dbraw/zinc/16/98/30/329169830.db2.gz LRLKPTDQRLIXDZ-HNNXBMFYSA-N 1 2 279.428 1.581 20 30 CDEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)NC[C@H]1CCCO1 ZINC000177032490 329178606 /nfs/dbraw/zinc/17/86/06/329178606.db2.gz RIQITSKMFXKTQG-OAHLLOKOSA-N 1 2 295.427 1.933 20 30 CDEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)NC[C@H]1CCCO1 ZINC000177032490 329178608 /nfs/dbraw/zinc/17/86/08/329178608.db2.gz RIQITSKMFXKTQG-OAHLLOKOSA-N 1 2 295.427 1.933 20 30 CDEDLO C[C@@H]1CCCN(C(=[NH2+])NCc2nc(-c3ccncc3)n[nH]2)C1 ZINC000263042602 330040302 /nfs/dbraw/zinc/04/03/02/330040302.db2.gz COROHUSOGLIQBN-LLVKDONJSA-N 1 2 299.382 1.413 20 30 CDEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)CC(C)(C)C#N ZINC000433298108 330216646 /nfs/dbraw/zinc/21/66/46/330216646.db2.gz YILQPJRKQUERLZ-UHFFFAOYSA-N 1 2 276.384 1.811 20 30 CDEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)CC(C)(C)C#N ZINC000433298108 330216647 /nfs/dbraw/zinc/21/66/47/330216647.db2.gz YILQPJRKQUERLZ-UHFFFAOYSA-N 1 2 276.384 1.811 20 30 CDEDLO C=CCn1cc(CN[C@@H](C)c2[nH+]ccn2CC)nn1 ZINC000424299577 330336923 /nfs/dbraw/zinc/33/69/23/330336923.db2.gz VQEFMSTUBDGYKT-NSHDSACASA-N 1 2 260.345 1.531 20 30 CDEDLO COCCN(CC#N)CCc1[nH+]c2ccccc2n1C ZINC000459538399 331286612 /nfs/dbraw/zinc/28/66/12/331286612.db2.gz UNVRHCVNMSSRJC-UHFFFAOYSA-N 1 2 272.352 1.588 20 30 CDEDLO C=CCCOCCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000488512192 332015045 /nfs/dbraw/zinc/01/50/45/332015045.db2.gz ZJSSSKDDVPNIDR-GFCCVEGCSA-N 1 2 278.356 1.090 20 30 CDEDLO C#C[C@@H](CC)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000490739635 332110564 /nfs/dbraw/zinc/11/05/64/332110564.db2.gz JSDIUHMJPQYRLS-GXTWGEPZSA-N 1 2 264.369 1.158 20 30 CDEDLO C#C[C@@H](CC)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000490739635 332110566 /nfs/dbraw/zinc/11/05/66/332110566.db2.gz JSDIUHMJPQYRLS-GXTWGEPZSA-N 1 2 264.369 1.158 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cnn(CC(F)(F)F)c1 ZINC000490922112 332129381 /nfs/dbraw/zinc/12/93/81/332129381.db2.gz BRXASJCFGKXXPQ-UHFFFAOYSA-N 1 2 269.270 1.904 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cnn(CC(F)(F)F)c1 ZINC000490922112 332129382 /nfs/dbraw/zinc/12/93/82/332129382.db2.gz BRXASJCFGKXXPQ-UHFFFAOYSA-N 1 2 269.270 1.904 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)C(C)C ZINC000490994206 332136866 /nfs/dbraw/zinc/13/68/66/332136866.db2.gz BHJNGKDTSOISSO-ZDUSSCGKSA-N 1 2 281.400 1.054 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)C(C)C ZINC000490994206 332136867 /nfs/dbraw/zinc/13/68/67/332136867.db2.gz BHJNGKDTSOISSO-ZDUSSCGKSA-N 1 2 281.400 1.054 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@H]2CC[C@@H](C#N)C2)n1 ZINC000491068948 332145507 /nfs/dbraw/zinc/14/55/07/332145507.db2.gz SHPGORCYKLADNS-ZBFHGGJFSA-N 1 2 286.379 1.657 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)[C@H]2CC[C@@H](C#N)C2)n1 ZINC000491068948 332145508 /nfs/dbraw/zinc/14/55/08/332145508.db2.gz SHPGORCYKLADNS-ZBFHGGJFSA-N 1 2 286.379 1.657 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCCOc1ccc2c(c1)OCO2 ZINC000491296819 332184259 /nfs/dbraw/zinc/18/42/59/332184259.db2.gz NJORTSMFZVMFOE-CYBMUJFWSA-N 1 2 289.331 1.518 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCCOc1ccc2c(c1)OCO2 ZINC000491296819 332184260 /nfs/dbraw/zinc/18/42/60/332184260.db2.gz NJORTSMFZVMFOE-CYBMUJFWSA-N 1 2 289.331 1.518 20 30 CDEDLO C#C[C@@H]1COCCN1C(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000491616471 332243648 /nfs/dbraw/zinc/24/36/48/332243648.db2.gz ASTZWZATOTTZGD-CYBMUJFWSA-N 1 2 297.358 1.459 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(COCCOC)cc1 ZINC000491623053 332247923 /nfs/dbraw/zinc/24/79/23/332247923.db2.gz HUTVZXPKXVGADF-QGZVFWFLSA-N 1 2 289.375 1.684 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(COCCOC)cc1 ZINC000491623053 332247926 /nfs/dbraw/zinc/24/79/26/332247926.db2.gz HUTVZXPKXVGADF-QGZVFWFLSA-N 1 2 289.375 1.684 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000491625073 332248972 /nfs/dbraw/zinc/24/89/72/332248972.db2.gz HOSOAFCPDCQGDA-MRVPVSSYSA-N 1 2 258.325 1.875 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000491625073 332248974 /nfs/dbraw/zinc/24/89/74/332248974.db2.gz HOSOAFCPDCQGDA-MRVPVSSYSA-N 1 2 258.325 1.875 20 30 CDEDLO C#C[C@H](CCC)NC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000491641747 332260992 /nfs/dbraw/zinc/26/09/92/332260992.db2.gz SRQCNOKFTGFMKC-GFCCVEGCSA-N 1 2 298.346 1.499 20 30 CDEDLO C#CCN(CC#N)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000491690281 332287422 /nfs/dbraw/zinc/28/74/22/332287422.db2.gz LLCPDOQUJZIWEQ-UHFFFAOYSA-N 1 2 278.315 1.530 20 30 CDEDLO C#C[C@@H]1COCCN1C(=O)Nc1c(C)cc[nH+]c1C ZINC000491702835 332296898 /nfs/dbraw/zinc/29/68/98/332296898.db2.gz HBXPAULCXMFOJO-GFCCVEGCSA-N 1 2 259.309 1.564 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000491738649 332318105 /nfs/dbraw/zinc/31/81/05/332318105.db2.gz RVPARJXBBUCMGN-LBPRGKRZSA-N 1 2 262.357 1.702 20 30 CDEDLO C#CC[N@@H+](CCCC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000491779723 332344480 /nfs/dbraw/zinc/34/44/80/332344480.db2.gz KFRILTWUTDTBDO-CYBMUJFWSA-N 1 2 257.399 1.545 20 30 CDEDLO C#CC[N@H+](CCCC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000491779723 332344481 /nfs/dbraw/zinc/34/44/81/332344481.db2.gz KFRILTWUTDTBDO-CYBMUJFWSA-N 1 2 257.399 1.545 20 30 CDEDLO Cc1cc(NC[C@@H](O)C[N@H+](C)CCC#N)cc(C)c1O ZINC000516762796 333082000 /nfs/dbraw/zinc/08/20/00/333082000.db2.gz OTIPCIIRZQVQIE-CQSZACIVSA-N 1 2 277.368 1.627 20 30 CDEDLO Cc1cc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc(C)c1O ZINC000516762796 333082001 /nfs/dbraw/zinc/08/20/01/333082001.db2.gz OTIPCIIRZQVQIE-CQSZACIVSA-N 1 2 277.368 1.627 20 30 CDEDLO CC[C@@](C)(C#N)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523281518 333313956 /nfs/dbraw/zinc/31/39/56/333313956.db2.gz SUXZMJODIQPPIU-ZDUSSCGKSA-N 1 2 270.296 1.084 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000576169554 335164189 /nfs/dbraw/zinc/16/41/89/335164189.db2.gz KMCCTOGTXLAKAX-JTQLQIEISA-N 1 2 276.296 1.815 20 30 CDEDLO N#CCc1cccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000548638682 334164837 /nfs/dbraw/zinc/16/48/37/334164837.db2.gz UEUKUHAJABDWRM-CQSZACIVSA-N 1 2 280.331 1.694 20 30 CDEDLO C=CCN1CC[C@H]([NH+]2CCN(c3nccs3)CC2)C1=O ZINC000548769758 334173492 /nfs/dbraw/zinc/17/34/92/334173492.db2.gz DMRDXHCFHJTYEZ-LBPRGKRZSA-N 1 2 292.408 1.052 20 30 CDEDLO C=CC[C@H](CO)CNc1nc(C2CC2)[nH+]c(C)c1OC ZINC000566485666 334652090 /nfs/dbraw/zinc/65/20/90/334652090.db2.gz QRWZJTHDDIEYCA-NSHDSACASA-N 1 2 277.368 1.689 20 30 CDEDLO CC(C)c1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)no1 ZINC000578240075 335590926 /nfs/dbraw/zinc/59/09/26/335590926.db2.gz GQWZEVSBKHNJHE-CYBMUJFWSA-N 1 2 264.329 1.372 20 30 CDEDLO CC(C)c1nc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cs1 ZINC000579543822 335793265 /nfs/dbraw/zinc/79/32/65/335793265.db2.gz MIWYOVJKZZTGGR-ZDUSSCGKSA-N 1 2 280.397 1.840 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc2ncsc2c1 ZINC000581859740 336152677 /nfs/dbraw/zinc/15/26/77/336152677.db2.gz WPCAUQFGKXWVNG-AWEZNQCLSA-N 1 2 288.376 1.870 20 30 CDEDLO C#CCCCC(=O)NCC[NH2+][C@H](C)c1nc(C(C)C)no1 ZINC001126356408 1159951871 /nfs/dbraw/zinc/95/18/71/1159951871.db2.gz NOCAOJJCJFZQAT-GFCCVEGCSA-N 1 2 292.383 1.763 20 30 CDEDLO COCC#CC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000677133376 482542573 /nfs/dbraw/zinc/54/25/73/482542573.db2.gz SPVFICWVMOXQIA-CQSZACIVSA-N 1 2 276.336 1.010 20 30 CDEDLO COCC#CC[N@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000677133376 482542576 /nfs/dbraw/zinc/54/25/76/482542576.db2.gz SPVFICWVMOXQIA-CQSZACIVSA-N 1 2 276.336 1.010 20 30 CDEDLO C=CCCOCC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000680549304 483659181 /nfs/dbraw/zinc/65/91/81/483659181.db2.gz MVMIPGGNSVNWRU-UHFFFAOYSA-N 1 2 290.367 1.026 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2cccc(C)c2)CC1 ZINC001112600614 1162045809 /nfs/dbraw/zinc/04/58/09/1162045809.db2.gz HLCLJDCCFFXKMT-UHFFFAOYSA-N 1 2 288.391 1.955 20 30 CDEDLO C[C@H](NC(=O)NCc1[nH+]ccn1C)[C@@H]1CCCOC1 ZINC000329364962 534187912 /nfs/dbraw/zinc/18/79/12/534187912.db2.gz GEYCASVIHOOKEC-WDEREUQCSA-N 1 2 266.345 1.239 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](F)C(C)C)CC1 ZINC001113215717 1162130522 /nfs/dbraw/zinc/13/05/22/1162130522.db2.gz ZRUQVPKUUCHRGE-ZDUSSCGKSA-N 1 2 272.364 1.327 20 30 CDEDLO C=CC[N@@H+](CCNS(=O)(=O)CC)Cc1cccs1 ZINC000068785031 518774622 /nfs/dbraw/zinc/77/46/22/518774622.db2.gz NMBSHHIDOXNUSV-UHFFFAOYSA-N 1 2 288.438 1.675 20 30 CDEDLO C=CC[N@H+](CCNS(=O)(=O)CC)Cc1cccs1 ZINC000068785031 518774631 /nfs/dbraw/zinc/77/46/31/518774631.db2.gz NMBSHHIDOXNUSV-UHFFFAOYSA-N 1 2 288.438 1.675 20 30 CDEDLO Cc1nc(N(C)C)nc(NCC(=O)NC2CCCCC2)[nH+]1 ZINC000330202138 534432354 /nfs/dbraw/zinc/43/23/54/534432354.db2.gz YXKBNGBCDBUZDH-UHFFFAOYSA-N 1 2 292.387 1.369 20 30 CDEDLO Cc1nc(NCC(=O)NC2CCCCC2)nc(N(C)C)[nH+]1 ZINC000330202138 534432364 /nfs/dbraw/zinc/43/23/64/534432364.db2.gz YXKBNGBCDBUZDH-UHFFFAOYSA-N 1 2 292.387 1.369 20 30 CDEDLO CC#CCCCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000354876129 526299205 /nfs/dbraw/zinc/29/92/05/526299205.db2.gz BMWGAYBWNIGBDA-CQSZACIVSA-N 1 2 294.395 1.181 20 30 CDEDLO CC#CCCCC(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000354876129 526299210 /nfs/dbraw/zinc/29/92/10/526299210.db2.gz BMWGAYBWNIGBDA-CQSZACIVSA-N 1 2 294.395 1.181 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000364912634 526641681 /nfs/dbraw/zinc/64/16/81/526641681.db2.gz CGGARDMAPAHBKZ-GLQYFDAESA-N 1 2 287.338 1.783 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000364912634 526641687 /nfs/dbraw/zinc/64/16/87/526641687.db2.gz CGGARDMAPAHBKZ-GLQYFDAESA-N 1 2 287.338 1.783 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000347614770 526698516 /nfs/dbraw/zinc/69/85/16/526698516.db2.gz AHEXCOQAXAIBKP-KGLIPLIRSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000347614770 526698519 /nfs/dbraw/zinc/69/85/19/526698519.db2.gz AHEXCOQAXAIBKP-KGLIPLIRSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C1CC[NH+](CC(=O)NCC(=O)c2cccs2)CC1 ZINC000347968765 526902641 /nfs/dbraw/zinc/90/26/41/526902641.db2.gz CZNMCEWXRQDAOF-UHFFFAOYSA-N 1 2 278.377 1.699 20 30 CDEDLO CC(C)(C#N)CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000336450235 527474224 /nfs/dbraw/zinc/47/42/24/527474224.db2.gz YUEFJXIEFVJSAW-NSHDSACASA-N 1 2 275.356 1.848 20 30 CDEDLO CC(C)(C#N)CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000335971225 527480919 /nfs/dbraw/zinc/48/09/19/527480919.db2.gz UGSFHOXAGXZQSU-JTQLQIEISA-N 1 2 261.329 1.047 20 30 CDEDLO CC[N@@H+](CCC#N)CCCCCS(=O)(=O)CC ZINC000354836397 528374127 /nfs/dbraw/zinc/37/41/27/528374127.db2.gz NRAPCWYXLILSBR-UHFFFAOYSA-N 1 2 260.403 1.827 20 30 CDEDLO CC[N@H+](CCC#N)CCCCCS(=O)(=O)CC ZINC000354836397 528374133 /nfs/dbraw/zinc/37/41/33/528374133.db2.gz NRAPCWYXLILSBR-UHFFFAOYSA-N 1 2 260.403 1.827 20 30 CDEDLO CN(CCCn1cc[nH+]c1)c1ncc(C#N)cc1F ZINC000413188965 536364228 /nfs/dbraw/zinc/36/42/28/536364228.db2.gz ATZGDZVTJOIZJY-UHFFFAOYSA-N 1 2 259.288 1.815 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2OC)C[C@H](C)O1 ZINC000251633003 536785277 /nfs/dbraw/zinc/78/52/77/536785277.db2.gz GYJDUKSZUGJNCL-WFASDCNBSA-N 1 2 290.363 1.803 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2OC)C[C@H](C)O1 ZINC000251633003 536785283 /nfs/dbraw/zinc/78/52/83/536785283.db2.gz GYJDUKSZUGJNCL-WFASDCNBSA-N 1 2 290.363 1.803 20 30 CDEDLO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328675242 538313944 /nfs/dbraw/zinc/31/39/44/538313944.db2.gz KMJPQWGLFAMRDJ-WCFLWFBJSA-N 1 2 268.357 1.374 20 30 CDEDLO C[C@@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328675242 538313947 /nfs/dbraw/zinc/31/39/47/538313947.db2.gz KMJPQWGLFAMRDJ-WCFLWFBJSA-N 1 2 268.357 1.374 20 30 CDEDLO C[C@H](NC(=O)N1CCn2cc[nH+]c2C1)c1cncc(F)c1 ZINC000329318031 538558442 /nfs/dbraw/zinc/55/84/42/538558442.db2.gz SREZROIRMMYJNW-JTQLQIEISA-N 1 2 289.314 1.908 20 30 CDEDLO C#Cc1ccc(C(=O)NCc2cn3c(cccc3C)[nH+]2)nc1 ZINC000731653092 575057736 /nfs/dbraw/zinc/05/77/36/575057736.db2.gz XZJYPXAWGAABGE-UHFFFAOYSA-N 1 2 290.326 1.949 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2n[nH]cc2c1 ZINC000732056212 575076802 /nfs/dbraw/zinc/07/68/02/575076802.db2.gz NMWVSZAPLCJVST-AWEZNQCLSA-N 1 2 268.320 1.599 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2n[nH]cc2c1 ZINC000732056212 575076804 /nfs/dbraw/zinc/07/68/04/575076804.db2.gz NMWVSZAPLCJVST-AWEZNQCLSA-N 1 2 268.320 1.599 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000732556710 575091411 /nfs/dbraw/zinc/09/14/11/575091411.db2.gz XIVFCEQVRBWUQX-ZFWWWQNUSA-N 1 2 299.374 1.227 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000732556710 575091412 /nfs/dbraw/zinc/09/14/12/575091412.db2.gz XIVFCEQVRBWUQX-ZFWWWQNUSA-N 1 2 299.374 1.227 20 30 CDEDLO C[C@@H]1CCCC[C@@H]1NC(=S)NN=Cc1c[nH+]cn1C ZINC000755518428 575155383 /nfs/dbraw/zinc/15/53/83/575155383.db2.gz BICMJYCXNFROJL-PWSUYJOCSA-N 1 2 279.413 1.797 20 30 CDEDLO COc1cc(F)ccc1N[NH+]=Cc1c(N)ncnc1OC ZINC000761897136 576603943 /nfs/dbraw/zinc/60/39/43/576603943.db2.gz SYOMBKFGSAIFJV-UHFFFAOYSA-N 1 2 291.286 1.661 20 30 CDEDLO CC[C@]1(C)NC(=O)N(N=Cc2cccc3[nH+]ccn32)C1=O ZINC000771090377 575547768 /nfs/dbraw/zinc/54/77/68/575547768.db2.gz WBLMUTVKPOQVNI-AWEZNQCLSA-N 1 2 285.307 1.389 20 30 CDEDLO C#C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)[C@H]1CCCO1 ZINC000772884183 575762959 /nfs/dbraw/zinc/76/29/59/575762959.db2.gz JXFAGAAMOWFKLN-CHWSQXEVSA-N 1 2 269.304 1.245 20 30 CDEDLO C=CCn1nnn(C[N@H+](CC)C[C@H]2CCOC2)c1=S ZINC000738082268 576037407 /nfs/dbraw/zinc/03/74/07/576037407.db2.gz PWXCAQNCXAPRMP-LLVKDONJSA-N 1 2 283.401 1.311 20 30 CDEDLO C=CCn1nnn(C[N@@H+](CC)C[C@H]2CCOC2)c1=S ZINC000738082268 576037408 /nfs/dbraw/zinc/03/74/08/576037408.db2.gz PWXCAQNCXAPRMP-LLVKDONJSA-N 1 2 283.401 1.311 20 30 CDEDLO Cc1[nH]c[nH+]c1C=NNCCOCC(F)(F)F ZINC000765600013 576043647 /nfs/dbraw/zinc/04/36/47/576043647.db2.gz PWKHSCCBSLFLIV-UHFFFAOYSA-N 1 2 250.224 1.221 20 30 CDEDLO C[C@@H](CCC#N)CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000766034637 576073061 /nfs/dbraw/zinc/07/30/61/576073061.db2.gz RXVPBMDYFNGTRU-NSHDSACASA-N 1 2 269.312 2.000 20 30 CDEDLO C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC[S@@]1=O ZINC000759867906 576438592 /nfs/dbraw/zinc/43/85/92/576438592.db2.gz KGWPIPPPUXSNML-RAJNIJHNSA-N 1 2 292.404 1.435 20 30 CDEDLO C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC[S@@]1=O ZINC000759867906 576438595 /nfs/dbraw/zinc/43/85/95/576438595.db2.gz KGWPIPPPUXSNML-RAJNIJHNSA-N 1 2 292.404 1.435 20 30 CDEDLO CC(C)[C@H](C(=O)OCC#N)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000741021394 576532126 /nfs/dbraw/zinc/53/21/26/576532126.db2.gz PJEDNSUWLIXAOY-IJLUTSLNSA-N 1 2 254.330 1.187 20 30 CDEDLO c1cc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)c[nH]1 ZINC000761854830 576598025 /nfs/dbraw/zinc/59/80/25/576598025.db2.gz HAJQGHGNLGQXKZ-UHFFFAOYSA-N 1 2 253.269 1.436 20 30 CDEDLO C#CCCCNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000743690875 576650917 /nfs/dbraw/zinc/65/09/17/576650917.db2.gz NZFFSYOAKWEGQF-UHFFFAOYSA-N 1 2 270.336 1.855 20 30 CDEDLO Cc1nc(C(C)(C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)no1 ZINC000763533804 576741209 /nfs/dbraw/zinc/74/12/09/576741209.db2.gz OLULVBMDRYTRKK-ZDUSSCGKSA-N 1 2 286.335 1.808 20 30 CDEDLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)NCCC#N)o1 ZINC000754346152 576892588 /nfs/dbraw/zinc/89/25/88/576892588.db2.gz DEGXHJRRROPIDV-GFCCVEGCSA-N 1 2 279.340 1.149 20 30 CDEDLO Cn1ccnc(N=NCc2ccc(-n3cc[nH+]c3)cc2)c1=O ZINC000748078776 576894277 /nfs/dbraw/zinc/89/42/77/576894277.db2.gz GBCYPOYUHUUNRR-UHFFFAOYSA-N 1 2 294.318 1.412 20 30 CDEDLO CC(=CS(C)(=O)=O)NNc1ccc(C(F)(F)F)n[nH+]1 ZINC000754711166 576911634 /nfs/dbraw/zinc/91/16/34/576911634.db2.gz OBUJWRXQKDDXGA-UHFFFAOYSA-N 1 2 296.274 1.328 20 30 CDEDLO C#CCOCCC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000755438863 576944844 /nfs/dbraw/zinc/94/48/44/576944844.db2.gz XTJCDCIHUIKTOI-UHFFFAOYSA-N 1 2 257.293 1.850 20 30 CDEDLO CCCCCNC(=S)NN=Cc1[nH+]c[nH]c1C ZINC000755587364 576950467 /nfs/dbraw/zinc/95/04/67/576950467.db2.gz SZGWPEXEBISXHR-UHFFFAOYSA-N 1 2 253.375 1.706 20 30 CDEDLO Cn1ncc2c1ncnc2N=NCc1c[nH+]c2ccccn12 ZINC000755646162 576953754 /nfs/dbraw/zinc/95/37/54/576953754.db2.gz YPDOVYMHRDJIFA-UHFFFAOYSA-N 1 2 292.306 1.457 20 30 CDEDLO Cc1[nH+]cc(C=NNCCCO)n1-c1ccccc1 ZINC000755701493 576956229 /nfs/dbraw/zinc/95/62/29/576956229.db2.gz ZUXTYWGIHBQSRA-UHFFFAOYSA-N 1 2 258.325 1.487 20 30 CDEDLO Cn1c[nH+]cc1C=NNc1nc2ccccc2c(=O)[nH]1 ZINC000755765676 576959725 /nfs/dbraw/zinc/95/97/25/576959725.db2.gz IPWLGFRBDCJBCO-UHFFFAOYSA-N 1 2 268.280 1.515 20 30 CDEDLO CCCCCCCN1CC[NH+](CC[S@](C)=O)CC1 ZINC000755954301 576971005 /nfs/dbraw/zinc/97/10/05/576971005.db2.gz OXLKQSZNWJWPNC-SFHVURJKSA-N 1 2 274.474 1.953 20 30 CDEDLO Cc1ccc(NC(=O)NC[C@H](C)C#N)c(N(C)C)[nH+]1 ZINC000750391000 576986506 /nfs/dbraw/zinc/98/65/06/576986506.db2.gz SSYPQNJXLVEQQP-SECBINFHSA-N 1 2 261.329 1.737 20 30 CDEDLO C[C@@H]1SCC[N@H+](Cn2cccc(C#N)c2=O)[C@H]1C ZINC000758222134 577084758 /nfs/dbraw/zinc/08/47/58/577084758.db2.gz INJOWQVHVPVLLS-QWRGUYRKSA-N 1 2 263.366 1.503 20 30 CDEDLO C[C@@H]1SCC[N@@H+](Cn2cccc(C#N)c2=O)[C@H]1C ZINC000758222134 577084759 /nfs/dbraw/zinc/08/47/59/577084759.db2.gz INJOWQVHVPVLLS-QWRGUYRKSA-N 1 2 263.366 1.503 20 30 CDEDLO C[C@H]1SCC[N@H+](Cn2cccc(C#N)c2=O)[C@@H]1C ZINC000758222130 577084938 /nfs/dbraw/zinc/08/49/38/577084938.db2.gz INJOWQVHVPVLLS-GHMZBOCLSA-N 1 2 263.366 1.503 20 30 CDEDLO C[C@H]1SCC[N@@H+](Cn2cccc(C#N)c2=O)[C@@H]1C ZINC000758222130 577084941 /nfs/dbraw/zinc/08/49/41/577084941.db2.gz INJOWQVHVPVLLS-GHMZBOCLSA-N 1 2 263.366 1.503 20 30 CDEDLO C#CCNC(=O)C[NH+]1CCN(c2ccc(C)c(C)c2)CC1 ZINC000759342733 577171646 /nfs/dbraw/zinc/17/16/46/577171646.db2.gz GEXGHVKCZJIPFJ-UHFFFAOYSA-N 1 2 285.391 1.175 20 30 CDEDLO O=C(C=Cc1[nH]cc[nH+]1)c1ccc(-c2nn[nH]n2)s1 ZINC000826403135 608093230 /nfs/dbraw/zinc/09/32/30/608093230.db2.gz KURAKSQDCXQFDF-RJRFIUFISA-N 1 2 272.293 1.547 20 30 CDEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824576875 608132251 /nfs/dbraw/zinc/13/22/51/608132251.db2.gz DRQLSIJAYZHMGN-SECBINFHSA-N 1 2 286.314 1.960 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cc(-c2nn[nH]n2)cs1 ZINC000823845491 608710009 /nfs/dbraw/zinc/71/00/09/608710009.db2.gz UZKGNLWRJMHTBG-UHFFFAOYSA-N 1 2 271.349 1.387 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cc(-c2nn[nH]n2)cs1 ZINC000823845491 608710010 /nfs/dbraw/zinc/71/00/10/608710010.db2.gz UZKGNLWRJMHTBG-UHFFFAOYSA-N 1 2 271.349 1.387 20 30 CDEDLO C=C(C)C[N@@H+](C)CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000823877830 609370620 /nfs/dbraw/zinc/37/06/20/609370620.db2.gz HDGKPGQZFDMLTM-UHFFFAOYSA-N 1 2 292.368 1.375 20 30 CDEDLO C=C(C)C[N@H+](C)CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000823877830 609370622 /nfs/dbraw/zinc/37/06/22/609370622.db2.gz HDGKPGQZFDMLTM-UHFFFAOYSA-N 1 2 292.368 1.375 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(CCC)on2)C1 ZINC000957073441 612991585 /nfs/dbraw/zinc/99/15/85/612991585.db2.gz UFAPDDUWIGDVCJ-UHFFFAOYSA-N 1 2 289.379 1.797 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(C(C)C)no2)C1 ZINC000952400262 612991613 /nfs/dbraw/zinc/99/16/13/612991613.db2.gz KVQOYPHLYSPTKZ-UHFFFAOYSA-N 1 2 289.379 1.968 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(CC)n(C)n2)C1 ZINC000957464196 612991675 /nfs/dbraw/zinc/99/16/75/612991675.db2.gz OHZJOTOXDFDNFV-UHFFFAOYSA-N 1 2 288.395 1.152 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(CC)n[nH]2)C1 ZINC000949696917 612991884 /nfs/dbraw/zinc/99/18/84/612991884.db2.gz XUFJVAFFHAJWDZ-UHFFFAOYSA-N 1 2 274.368 1.142 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2conc2C)C1 ZINC000951596291 612992776 /nfs/dbraw/zinc/99/27/76/612992776.db2.gz ZLIQMXHIDNRBNF-UHFFFAOYSA-N 1 2 261.325 1.153 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2conc2CC)CC1 ZINC000981902653 613160000 /nfs/dbraw/zinc/16/00/00/613160000.db2.gz ZYGIFNBVWYKMON-UHFFFAOYSA-N 1 2 261.325 1.018 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2conc2CC)CC1 ZINC000981902653 613160002 /nfs/dbraw/zinc/16/00/02/613160002.db2.gz ZYGIFNBVWYKMON-UHFFFAOYSA-N 1 2 261.325 1.018 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C3CCC3)CC2)C1 ZINC000949273872 613210516 /nfs/dbraw/zinc/21/05/16/613210516.db2.gz ZLBXUSKCAJYDQB-UHFFFAOYSA-N 1 2 276.380 1.113 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C3CCC3)CC2)C1 ZINC000949273872 613210517 /nfs/dbraw/zinc/21/05/17/613210517.db2.gz ZLBXUSKCAJYDQB-UHFFFAOYSA-N 1 2 276.380 1.113 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CCC)CC2)C1 ZINC000949277038 613210540 /nfs/dbraw/zinc/21/05/40/613210540.db2.gz VKTIWQPPHVYPDJ-UHFFFAOYSA-N 1 2 264.369 1.113 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CCC)CC2)C1 ZINC000949277038 613210541 /nfs/dbraw/zinc/21/05/41/613210541.db2.gz VKTIWQPPHVYPDJ-UHFFFAOYSA-N 1 2 264.369 1.113 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2sccc2F)C1 ZINC000965997073 613256635 /nfs/dbraw/zinc/25/66/35/613256635.db2.gz VZRMREGAFQJZMM-CMPLNLGQSA-N 1 2 280.368 1.961 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2sccc2F)C1 ZINC000965997073 613256636 /nfs/dbraw/zinc/25/66/36/613256636.db2.gz VZRMREGAFQJZMM-CMPLNLGQSA-N 1 2 280.368 1.961 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2C[C@@]23CCOC3)C1 ZINC000957108504 613295438 /nfs/dbraw/zinc/29/54/38/613295438.db2.gz GBUQTSBDCFQCIJ-GDBMZVCRSA-N 1 2 278.396 1.522 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000952297001 613295677 /nfs/dbraw/zinc/29/56/77/613295677.db2.gz GMLQMZRUECOOOC-TZMCWYRMSA-N 1 2 266.385 1.663 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnn3ccc(C)nc23)CC1 ZINC000957361186 613321773 /nfs/dbraw/zinc/32/17/73/613321773.db2.gz GUUYWWRJEIRTEG-UHFFFAOYSA-N 1 2 299.378 1.372 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2n[nH]c(C)c2C)C1 ZINC000969404459 613372044 /nfs/dbraw/zinc/37/20/44/613372044.db2.gz MDBGBJFSILQMSK-LLVKDONJSA-N 1 2 296.802 1.829 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2c[nH]nc2C)C1 ZINC000970238950 613372406 /nfs/dbraw/zinc/37/24/06/613372406.db2.gz GIMULIHIRDCCAK-VIFPVBQESA-N 1 2 282.775 1.521 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cn(C)cn2)C1 ZINC000965904416 613378014 /nfs/dbraw/zinc/37/80/14/613378014.db2.gz AEMSTPBTFTWSMC-CMPLNLGQSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cn(C)cn2)C1 ZINC000965904416 613378015 /nfs/dbraw/zinc/37/80/15/613378015.db2.gz AEMSTPBTFTWSMC-CMPLNLGQSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cn[nH]c2)C(C)(C)C1 ZINC000972831362 613379811 /nfs/dbraw/zinc/37/98/11/613379811.db2.gz SIUSBFMPEPLBSO-LLVKDONJSA-N 1 2 282.775 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cn[nH]c2)C(C)(C)C1 ZINC000972831362 613379812 /nfs/dbraw/zinc/37/98/12/613379812.db2.gz SIUSBFMPEPLBSO-LLVKDONJSA-N 1 2 282.775 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2n[nH]cc2C)C(C)(C)C1 ZINC000974565852 613380111 /nfs/dbraw/zinc/38/01/11/613380111.db2.gz YSMDPSBGQQMASV-LLVKDONJSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2n[nH]cc2C)C(C)(C)C1 ZINC000974565852 613380112 /nfs/dbraw/zinc/38/01/12/613380112.db2.gz YSMDPSBGQQMASV-LLVKDONJSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C1CCC(C(=O)N2CCC[N@@H+]([C@@H](C)C(N)=O)CC2)CC1 ZINC000981873222 613405008 /nfs/dbraw/zinc/40/50/08/613405008.db2.gz JSLAAVDESDRAJN-ZDUSSCGKSA-N 1 2 293.411 1.141 20 30 CDEDLO C=C1CCC(C(=O)N2CCC[N@H+]([C@@H](C)C(N)=O)CC2)CC1 ZINC000981873222 613405011 /nfs/dbraw/zinc/40/50/11/613405011.db2.gz JSLAAVDESDRAJN-ZDUSSCGKSA-N 1 2 293.411 1.141 20 30 CDEDLO C=CCC[NH+]1CC(N(CC)C(=O)c2cccc3n[nH]nc32)C1 ZINC000950412267 613480676 /nfs/dbraw/zinc/48/06/76/613480676.db2.gz PGYSSPHRRRRCIK-UHFFFAOYSA-N 1 2 299.378 1.680 20 30 CDEDLO C=CCC[NH+]1CC(N(CC)C(=O)c2cccc3nn[nH]c32)C1 ZINC000950412267 613480677 /nfs/dbraw/zinc/48/06/77/613480677.db2.gz PGYSSPHRRRRCIK-UHFFFAOYSA-N 1 2 299.378 1.680 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2ocnc2C2CC2)CC1 ZINC000981951136 613556836 /nfs/dbraw/zinc/55/68/36/613556836.db2.gz RQOKZRLWEDVXBZ-UHFFFAOYSA-N 1 2 287.363 1.723 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2ocnc2C2CC2)CC1 ZINC000981951136 613556838 /nfs/dbraw/zinc/55/68/38/613556838.db2.gz RQOKZRLWEDVXBZ-UHFFFAOYSA-N 1 2 287.363 1.723 20 30 CDEDLO C=CC(C)(C)NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000891266681 617393378 /nfs/dbraw/zinc/39/33/78/617393378.db2.gz GJCOWSMEGLPLPB-BENRWUELSA-N 1 2 252.358 1.346 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCO[C@@H]2C(C)C)C1 ZINC000950487097 613654401 /nfs/dbraw/zinc/65/44/01/613654401.db2.gz RTJPXSCVOOWINX-HUUCEWRRSA-N 1 2 280.412 1.766 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H](C)n2cccc2)CC1 ZINC000957381428 613708744 /nfs/dbraw/zinc/70/87/44/613708744.db2.gz PQDPTOABDOQSND-CQSZACIVSA-N 1 2 261.369 1.769 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000949406025 613709211 /nfs/dbraw/zinc/70/92/11/613709211.db2.gz GKSDHYAKGKKHMG-CABCVRRESA-N 1 2 278.396 1.664 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC000948694519 613711123 /nfs/dbraw/zinc/71/11/23/613711123.db2.gz RSSVPRKEEJAVCX-KGLIPLIRSA-N 1 2 266.385 1.378 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2c3c[nH]nc3CC[C@H]2C)CC1 ZINC000949364025 613711879 /nfs/dbraw/zinc/71/18/79/613711879.db2.gz ZKAOHWWJASLXBQ-DOMZBBRYSA-N 1 2 288.395 1.406 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2Cc3ccncc3C2)CC1 ZINC000950518796 613713514 /nfs/dbraw/zinc/71/35/14/613713514.db2.gz OWJKBZNLUPMRSM-AWEZNQCLSA-N 1 2 271.364 1.127 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]nc2CCC)CC1 ZINC000949035072 613714369 /nfs/dbraw/zinc/71/43/69/613714369.db2.gz DLGAUGCYYORFIR-UHFFFAOYSA-N 1 2 262.357 1.306 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc(-n3ccnc3)c2)CC1 ZINC000957049766 613716862 /nfs/dbraw/zinc/71/68/62/613716862.db2.gz JQHYZCGUPMMDDY-UHFFFAOYSA-N 1 2 296.374 1.816 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(C)CC=CC3)C2)C1 ZINC000972531263 613725332 /nfs/dbraw/zinc/72/53/32/613725332.db2.gz JPIJDDHPWSKVQP-QGZVFWFLSA-N 1 2 290.407 1.832 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(C)CC=CC3)C2)C1 ZINC000972531263 613725336 /nfs/dbraw/zinc/72/53/36/613725336.db2.gz JPIJDDHPWSKVQP-QGZVFWFLSA-N 1 2 290.407 1.832 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)SC)C2)C1 ZINC000972269120 613726825 /nfs/dbraw/zinc/72/68/25/613726825.db2.gz IUEDYCUVWZXKCG-GXTWGEPZSA-N 1 2 284.425 1.227 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)SC)C2)C1 ZINC000972269120 613726826 /nfs/dbraw/zinc/72/68/26/613726826.db2.gz IUEDYCUVWZXKCG-GXTWGEPZSA-N 1 2 284.425 1.227 20 30 CDEDLO Cc1c(C[NH+]2CCN(CC#N)CC2)cccc1[N+](=O)[O-] ZINC000103882566 617496689 /nfs/dbraw/zinc/49/66/89/617496689.db2.gz OOWGOWXZWBTAFJ-UHFFFAOYSA-N 1 2 274.324 1.544 20 30 CDEDLO C=CC(C)(C)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000892839965 617813227 /nfs/dbraw/zinc/81/32/27/617813227.db2.gz XGCMWTYVYQTAIX-RYUDHWBXSA-N 1 2 269.389 1.359 20 30 CDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H]1CO ZINC000934021200 617860319 /nfs/dbraw/zinc/86/03/19/617860319.db2.gz DMTOMVKJJOUDEA-CABZTGNLSA-N 1 2 293.754 1.605 20 30 CDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H]1CO ZINC000934021200 617860324 /nfs/dbraw/zinc/86/03/24/617860324.db2.gz DMTOMVKJJOUDEA-CABZTGNLSA-N 1 2 293.754 1.605 20 30 CDEDLO COC(=O)C1=C(C)O[C@H](C[N@@H+]2CCC[C@@H](C#N)C2)C1 ZINC000932150326 617949656 /nfs/dbraw/zinc/94/96/56/617949656.db2.gz GGZNWOUDZQVEJG-RYUDHWBXSA-N 1 2 264.325 1.458 20 30 CDEDLO COC(=O)C1=C(C)O[C@H](C[N@H+]2CCC[C@@H](C#N)C2)C1 ZINC000932150326 617949666 /nfs/dbraw/zinc/94/96/66/617949666.db2.gz GGZNWOUDZQVEJG-RYUDHWBXSA-N 1 2 264.325 1.458 20 30 CDEDLO C=CC[C@@H](CO)CNc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000893096929 618163859 /nfs/dbraw/zinc/16/38/59/618163859.db2.gz WSSCPGYNMOIOFA-VXGBXAGGSA-N 1 2 280.372 1.256 20 30 CDEDLO C=CC[C@@H](CO)CNc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000893096929 618163872 /nfs/dbraw/zinc/16/38/72/618163872.db2.gz WSSCPGYNMOIOFA-VXGBXAGGSA-N 1 2 280.372 1.256 20 30 CDEDLO C#C[C@@H]1COCCN1c1[nH+]cnc2[nH]cc(CC)c21 ZINC000894166767 618645354 /nfs/dbraw/zinc/64/53/54/618645354.db2.gz GCXUPUMKXGAGGK-LLVKDONJSA-N 1 2 256.309 1.359 20 30 CDEDLO CCc1cc(N2CCN(C(=O)CC#N)CC2)nc(CC)[nH+]1 ZINC000894418873 618877985 /nfs/dbraw/zinc/87/79/85/618877985.db2.gz QNTBHSGXBWSHPN-UHFFFAOYSA-N 1 2 287.367 1.164 20 30 CDEDLO C[C@H](Nc1nc(Cl)c(C#N)s1)[C@H]1CN(C)CC[N@@H+]1C ZINC000895247102 619493306 /nfs/dbraw/zinc/49/33/06/619493306.db2.gz SORWJLHWPGAORF-DTWKUNHWSA-N 1 2 299.831 1.714 20 30 CDEDLO C[C@H](Nc1nc(Cl)c(C#N)s1)[C@H]1CN(C)CC[N@H+]1C ZINC000895247102 619493311 /nfs/dbraw/zinc/49/33/11/619493311.db2.gz SORWJLHWPGAORF-DTWKUNHWSA-N 1 2 299.831 1.714 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)Nc1nc(C)cc(C#N)n1 ZINC000895800723 619850882 /nfs/dbraw/zinc/85/08/82/619850882.db2.gz BLMAMUJUZNLBDT-GFCCVEGCSA-N 1 2 275.356 1.179 20 30 CDEDLO C#Cc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000899918446 622529080 /nfs/dbraw/zinc/52/90/80/622529080.db2.gz NPJKCYMIJSLPKD-OAHLLOKOSA-N 1 2 257.337 1.286 20 30 CDEDLO C#Cc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000899918446 622529088 /nfs/dbraw/zinc/52/90/88/622529088.db2.gz NPJKCYMIJSLPKD-OAHLLOKOSA-N 1 2 257.337 1.286 20 30 CDEDLO CC[C@](C)(C#N)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000900464517 623095540 /nfs/dbraw/zinc/09/55/40/623095540.db2.gz ONCDQTYXPLAEPG-GXTWGEPZSA-N 1 2 275.356 1.598 20 30 CDEDLO CC[C@](C)(C#N)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000900464517 623095546 /nfs/dbraw/zinc/09/55/46/623095546.db2.gz ONCDQTYXPLAEPG-GXTWGEPZSA-N 1 2 275.356 1.598 20 30 CDEDLO N#CCCN(Cc1ccccn1)C(=O)CNc1cccc[nH+]1 ZINC000900567959 623242779 /nfs/dbraw/zinc/24/27/79/623242779.db2.gz OSQQQYGWXDSRAQ-UHFFFAOYSA-N 1 2 295.346 1.831 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000900785807 623481388 /nfs/dbraw/zinc/48/13/88/623481388.db2.gz GFMBQAZREAIJMQ-CYBMUJFWSA-N 1 2 267.332 1.931 20 30 CDEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H](C#N)C(C)(C)C)[nH]n1 ZINC000900971967 623705830 /nfs/dbraw/zinc/70/58/30/623705830.db2.gz LYPCSGFFOWOVHN-STQMWFEESA-N 1 2 289.383 1.844 20 30 CDEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H](C#N)C(C)(C)C)[nH]n1 ZINC000900971967 623705839 /nfs/dbraw/zinc/70/58/39/623705839.db2.gz LYPCSGFFOWOVHN-STQMWFEESA-N 1 2 289.383 1.844 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCC[C@H]2CCNC2=O)ccc1F ZINC000902223947 624572984 /nfs/dbraw/zinc/57/29/84/624572984.db2.gz XRBSVYORHSZKDI-SNVBAGLBSA-N 1 2 279.315 1.297 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccsc2C#N)CC1 ZINC000906483629 627294036 /nfs/dbraw/zinc/29/40/36/627294036.db2.gz LPOJGDWBAXEHSJ-UHFFFAOYSA-N 1 2 273.361 1.401 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCc1c[nH+]cn1C ZINC000907306211 627586938 /nfs/dbraw/zinc/58/69/38/627586938.db2.gz AXIXJRKQJUNHFT-STQMWFEESA-N 1 2 263.341 1.060 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C/C=C\C)C(=O)OCC ZINC000907400709 627639871 /nfs/dbraw/zinc/63/98/71/627639871.db2.gz PZVJGLOKJZLGRE-ZVSVUTOMSA-N 1 2 292.379 1.098 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C/C=C\C)C(=O)OCC ZINC000907400709 627639874 /nfs/dbraw/zinc/63/98/74/627639874.db2.gz PZVJGLOKJZLGRE-ZVSVUTOMSA-N 1 2 292.379 1.098 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000911570117 629331014 /nfs/dbraw/zinc/33/10/14/629331014.db2.gz DLHVCJOIMXSRBC-UBHSHLNASA-N 1 2 275.352 1.295 20 30 CDEDLO C[Si](C)(C)C#CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000912326943 629938081 /nfs/dbraw/zinc/93/80/81/629938081.db2.gz JAOIFWSWXACBKR-CYBMUJFWSA-N 1 2 289.455 1.833 20 30 CDEDLO N#CCc1ccc[nH+]c1NC1CC2(C1)CS(=O)(=O)C2 ZINC001168207526 1160550854 /nfs/dbraw/zinc/55/08/54/1160550854.db2.gz PSVVBELVAGLULO-UHFFFAOYSA-N 1 2 277.349 1.137 20 30 CDEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc[nH]n1 ZINC001272541824 1161121308 /nfs/dbraw/zinc/12/13/08/1161121308.db2.gz FVLRLXSJIGOTND-MRXNPFEDSA-N 1 2 288.395 1.943 20 30 CDEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc[nH]n1 ZINC001272541824 1161121310 /nfs/dbraw/zinc/12/13/10/1161121310.db2.gz FVLRLXSJIGOTND-MRXNPFEDSA-N 1 2 288.395 1.943 20 30 CDEDLO COC(=O)c1cc(C#N)ccc1NC[C@H]1COCC[N@@H+]1C ZINC001169653348 1162015913 /nfs/dbraw/zinc/01/59/13/1162015913.db2.gz HJJUAIPVBSOTIL-LBPRGKRZSA-N 1 2 289.335 1.087 20 30 CDEDLO COC(=O)c1cc(C#N)ccc1NC[C@H]1COCC[N@H+]1C ZINC001169653348 1162015915 /nfs/dbraw/zinc/01/59/15/1162015915.db2.gz HJJUAIPVBSOTIL-LBPRGKRZSA-N 1 2 289.335 1.087 20 30 CDEDLO C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)Nc1ncccc1C#N ZINC001113082209 1162094665 /nfs/dbraw/zinc/09/46/65/1162094665.db2.gz OSEHWGUFRMFNGW-RYUDHWBXSA-N 1 2 298.350 1.155 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1cncc(CC#N)n1 ZINC001157462663 1162100973 /nfs/dbraw/zinc/10/09/73/1162100973.db2.gz SVNZZTBDUSRWGQ-UHFFFAOYSA-N 1 2 256.313 1.266 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001113129051 1162109451 /nfs/dbraw/zinc/10/94/51/1162109451.db2.gz OQTRALMESPDQMN-GDBMZVCRSA-N 1 2 278.396 1.523 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2nnc(C)o2)cc1 ZINC001132226942 1163207956 /nfs/dbraw/zinc/20/79/56/1163207956.db2.gz VQUYMMCCBATXNI-NSHDSACASA-N 1 2 298.346 1.440 20 30 CDEDLO Cc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1-c1nn[nH]n1 ZINC001605656127 1163637529 /nfs/dbraw/zinc/63/75/29/1163637529.db2.gz USOACVOKYGRRRI-NSHDSACASA-N 1 2 270.340 1.909 20 30 CDEDLO Cc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1-c1nn[nH]n1 ZINC001605656127 1163637531 /nfs/dbraw/zinc/63/75/31/1163637531.db2.gz USOACVOKYGRRRI-NSHDSACASA-N 1 2 270.340 1.909 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C)CC=CC2)[C@@H](O)C1 ZINC001090550447 1164221995 /nfs/dbraw/zinc/22/19/95/1164221995.db2.gz RYMDWCOFIFQQKB-STQMWFEESA-N 1 2 298.814 1.647 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C)CC=CC2)[C@@H](O)C1 ZINC001090550447 1164222002 /nfs/dbraw/zinc/22/20/02/1164222002.db2.gz RYMDWCOFIFQQKB-STQMWFEESA-N 1 2 298.814 1.647 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1csc(C#N)c1 ZINC001647350296 1168600089 /nfs/dbraw/zinc/60/00/89/1168600089.db2.gz LKRLHLFILVOCOZ-LBPRGKRZSA-N 1 2 293.392 1.460 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1csc(C#N)c1 ZINC001647350296 1168600094 /nfs/dbraw/zinc/60/00/94/1168600094.db2.gz LKRLHLFILVOCOZ-LBPRGKRZSA-N 1 2 293.392 1.460 20 30 CDEDLO C[C@@H](CC#N)N(C)c1nnc(C[NH+]2CCCCC2)n1C ZINC001650283075 1170918827 /nfs/dbraw/zinc/91/88/27/1170918827.db2.gz JPADLZYFAMLATG-LBPRGKRZSA-N 1 2 276.388 1.539 20 30 CDEDLO C#CCC1(NC(=O)C[C@H]([NH3+])C(F)F)CCCCC1 ZINC001574525003 1170991455 /nfs/dbraw/zinc/99/14/55/1170991455.db2.gz BPCNBEHVFSCEKR-JTQLQIEISA-N 1 2 258.312 1.811 20 30 CDEDLO C=C1CCC(C(=O)NCC=CC[NH2+]Cc2cnn[nH]2)CC1 ZINC001575062508 1171099159 /nfs/dbraw/zinc/09/91/59/1171099159.db2.gz SVEFTHHBPVFJLW-IHWYPQMZSA-N 1 2 289.383 1.313 20 30 CDEDLO N#Cc1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)nc1 ZINC001663771957 1172760673 /nfs/dbraw/zinc/76/06/73/1172760673.db2.gz WWLTXCKSQZKWAE-UHFFFAOYSA-N 1 2 292.302 1.923 20 30 CDEDLO C[C@H]([NH2+]CCCCC#N)c1cccc(-c2nn[nH]n2)c1O ZINC001589960860 1173213615 /nfs/dbraw/zinc/21/36/15/1173213615.db2.gz HTIVWMHLGSZANS-JTQLQIEISA-N 1 2 286.339 1.917 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccc(C)n1C ZINC001714539782 1179196013 /nfs/dbraw/zinc/19/60/13/1179196013.db2.gz RKONOKPLCNSWIL-UHFFFAOYSA-N 1 2 269.776 1.748 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccc(C)n1C ZINC001714539782 1179196015 /nfs/dbraw/zinc/19/60/15/1179196015.db2.gz RKONOKPLCNSWIL-UHFFFAOYSA-N 1 2 269.776 1.748 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)F ZINC001734026399 1183617859 /nfs/dbraw/zinc/61/78/59/1183617859.db2.gz ONADIAGTXLJNSV-VIFPVBQESA-N 1 2 250.745 1.924 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)F ZINC001734026399 1183617858 /nfs/dbraw/zinc/61/78/58/1183617858.db2.gz ONADIAGTXLJNSV-VIFPVBQESA-N 1 2 250.745 1.924 20 30 CDEDLO Cc1nc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C#CC(C)C)C2)no1 ZINC001752727013 1184901730 /nfs/dbraw/zinc/90/17/30/1184901730.db2.gz ZKIVMQGDSRWURW-WCFLWFBJSA-N 1 2 290.367 1.335 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001753646653 1185285123 /nfs/dbraw/zinc/28/51/23/1185285123.db2.gz VGRBPMBCIACRJE-KGLIPLIRSA-N 1 2 264.369 1.346 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001753646653 1185285128 /nfs/dbraw/zinc/28/51/28/1185285128.db2.gz VGRBPMBCIACRJE-KGLIPLIRSA-N 1 2 264.369 1.346 20 30 CDEDLO C=CCCOCC(=O)NC[C@H]1CCC2(C[NH+](CC=C)C2)O1 ZINC001755056440 1185801255 /nfs/dbraw/zinc/80/12/55/1185801255.db2.gz CCCZKHNYWAYORE-CQSZACIVSA-N 1 2 294.395 1.115 20 30 CDEDLO C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C(F)C(F)(F)F ZINC001755192859 1185849028 /nfs/dbraw/zinc/84/90/28/1185849028.db2.gz MSPPAPRGKXBWLC-UWVGGRQHSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)C(F)C(F)(F)F ZINC001755192859 1185849030 /nfs/dbraw/zinc/84/90/30/1185849030.db2.gz MSPPAPRGKXBWLC-UWVGGRQHSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](F)C(F)(F)F ZINC001755192859 1185849037 /nfs/dbraw/zinc/84/90/37/1185849037.db2.gz MSPPAPRGKXBWLC-UWVGGRQHSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](F)C(F)(F)F ZINC001755192859 1185849041 /nfs/dbraw/zinc/84/90/41/1185849041.db2.gz MSPPAPRGKXBWLC-UWVGGRQHSA-N 1 2 282.281 1.996 20 30 CDEDLO C#CCCCCC(=O)NC[C@@H](C)[N@H+](C)Cc1ccn(C)n1 ZINC001755296028 1185898447 /nfs/dbraw/zinc/89/84/47/1185898447.db2.gz IGWVRHCCAUOYOE-CQSZACIVSA-N 1 2 290.411 1.550 20 30 CDEDLO C#CCCCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccn(C)n1 ZINC001755296028 1185898449 /nfs/dbraw/zinc/89/84/49/1185898449.db2.gz IGWVRHCCAUOYOE-CQSZACIVSA-N 1 2 290.411 1.550 20 30 CDEDLO Cc1cc(C[N@@H+]2CCCN(c3ncncc3C#N)CC2)no1 ZINC001771742560 1186855606 /nfs/dbraw/zinc/85/56/06/1186855606.db2.gz KEIAROFJTVRXDT-UHFFFAOYSA-N 1 2 298.350 1.357 20 30 CDEDLO Cc1cc(C[N@H+]2CCCN(c3ncncc3C#N)CC2)no1 ZINC001771742560 1186855609 /nfs/dbraw/zinc/85/56/09/1186855609.db2.gz KEIAROFJTVRXDT-UHFFFAOYSA-N 1 2 298.350 1.357 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)nc1C1CC1 ZINC001032426572 697645675 /nfs/dbraw/zinc/64/56/75/697645675.db2.gz LSHRLOMIOIPAJM-KBPBESRZSA-N 1 2 298.390 1.220 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)nc1C1CC1 ZINC001032426572 697645686 /nfs/dbraw/zinc/64/56/86/697645686.db2.gz LSHRLOMIOIPAJM-KBPBESRZSA-N 1 2 298.390 1.220 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2[nH]c(C)nc2c1 ZINC001038333319 697648097 /nfs/dbraw/zinc/64/80/97/697648097.db2.gz RABWYLYAEMPVFZ-CYBMUJFWSA-N 1 2 297.362 1.094 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2[nH]c(C)nc2c1 ZINC001038333319 697648101 /nfs/dbraw/zinc/64/81/01/697648101.db2.gz RABWYLYAEMPVFZ-CYBMUJFWSA-N 1 2 297.362 1.094 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(OCC)n1 ZINC001017704649 697662841 /nfs/dbraw/zinc/66/28/41/697662841.db2.gz HPAMTBMIWXYMCA-TXEJJXNPSA-N 1 2 291.351 1.548 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(OCC)n1 ZINC001017704649 697662857 /nfs/dbraw/zinc/66/28/57/697662857.db2.gz HPAMTBMIWXYMCA-TXEJJXNPSA-N 1 2 291.351 1.548 20 30 CDEDLO C#Cc1ccc(C(=O)OCc2cc[nH+]c(N)c2)cn1 ZINC000791856832 697679398 /nfs/dbraw/zinc/67/93/98/697679398.db2.gz SPQLSADEATUZOZ-UHFFFAOYSA-N 1 2 253.261 1.397 20 30 CDEDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000776965736 697710311 /nfs/dbraw/zinc/71/03/11/697710311.db2.gz BRJGQLZEQNMYSD-UHFFFAOYSA-N 1 2 296.321 1.688 20 30 CDEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000776965736 697710321 /nfs/dbraw/zinc/71/03/21/697710321.db2.gz BRJGQLZEQNMYSD-UHFFFAOYSA-N 1 2 296.321 1.688 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cccn2C)C1 ZINC001031553723 697724221 /nfs/dbraw/zinc/72/42/21/697724221.db2.gz YOURKKYXAGGEPD-UHFFFAOYSA-N 1 2 267.760 1.439 20 30 CDEDLO C=CCCC(=O)NC1(CNC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001064207404 697734723 /nfs/dbraw/zinc/73/47/23/697734723.db2.gz JHNNRPNRUNACDK-UHFFFAOYSA-N 1 2 290.367 1.074 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)cc2c[nH]nc21 ZINC001038812092 697773010 /nfs/dbraw/zinc/77/30/10/697773010.db2.gz LSFUAXVMDRYBHV-CYBMUJFWSA-N 1 2 282.347 1.309 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)cc2c[nH]nc21 ZINC001038812092 697773019 /nfs/dbraw/zinc/77/30/19/697773019.db2.gz LSFUAXVMDRYBHV-CYBMUJFWSA-N 1 2 282.347 1.309 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(CC)c1C ZINC001017835226 697787154 /nfs/dbraw/zinc/78/71/54/697787154.db2.gz HNTGMUCXQQHLOF-GASCZTMLSA-N 1 2 285.391 1.738 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(CC)c1C ZINC001017835226 697787162 /nfs/dbraw/zinc/78/71/62/697787162.db2.gz HNTGMUCXQQHLOF-GASCZTMLSA-N 1 2 285.391 1.738 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2CCO[C@@H](CC)C2)C1 ZINC001031217406 697806572 /nfs/dbraw/zinc/80/65/72/697806572.db2.gz KXDITKHOCWMGLD-ZFWWWQNUSA-N 1 2 280.412 1.958 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC001031379559 697810515 /nfs/dbraw/zinc/81/05/15/697810515.db2.gz BWEKEXWVFKAWAY-UHFFFAOYSA-N 1 2 282.387 1.542 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@@H]3CC[C@H](C)O3)C2)cn1 ZINC001031278446 697821182 /nfs/dbraw/zinc/82/11/82/697821182.db2.gz MUVWLARPAXDVNE-LRDDRELGSA-N 1 2 299.374 1.044 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(Cl)n[nH]c1CC ZINC001038335524 697850673 /nfs/dbraw/zinc/85/06/73/697850673.db2.gz MPZSRLOBOOWJEH-JTQLQIEISA-N 1 2 294.786 1.453 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(Cl)n[nH]c1CC ZINC001038335524 697850676 /nfs/dbraw/zinc/85/06/76/697850676.db2.gz MPZSRLOBOOWJEH-JTQLQIEISA-N 1 2 294.786 1.453 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccnc2C)C1 ZINC001043699831 697866357 /nfs/dbraw/zinc/86/63/57/697866357.db2.gz QFHFPQSZMHFUML-UHFFFAOYSA-N 1 2 257.337 1.170 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cc(OC)cs2)C1 ZINC001015500611 697867040 /nfs/dbraw/zinc/86/70/40/697867040.db2.gz UMKUNYZMSDWRPQ-JTQLQIEISA-N 1 2 264.350 1.194 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(OC)cs2)C1 ZINC001015500611 697867042 /nfs/dbraw/zinc/86/70/42/697867042.db2.gz UMKUNYZMSDWRPQ-JTQLQIEISA-N 1 2 264.350 1.194 20 30 CDEDLO C=CCN1CC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001043487029 697869981 /nfs/dbraw/zinc/86/99/81/697869981.db2.gz CPFWVDKIRBTTGH-UHFFFAOYSA-N 1 2 296.374 1.815 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)C2CCOCC2)C1 ZINC000949539461 697874036 /nfs/dbraw/zinc/87/40/36/697874036.db2.gz HVLDHBFFMNYYCN-UHFFFAOYSA-N 1 2 266.385 1.522 20 30 CDEDLO C#CCOc1ccc(CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000296908889 697882332 /nfs/dbraw/zinc/88/23/32/697882332.db2.gz HNIRUPACMZJGSW-UHFFFAOYSA-N 1 2 283.331 1.671 20 30 CDEDLO C#CCOc1ccc(CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000296908889 697882333 /nfs/dbraw/zinc/88/23/33/697882333.db2.gz HNIRUPACMZJGSW-UHFFFAOYSA-N 1 2 283.331 1.671 20 30 CDEDLO C=CCC1(C(=O)N[C@H](CC)C[NH+]2CCOCC2)CCC1 ZINC000928650893 697884570 /nfs/dbraw/zinc/88/45/70/697884570.db2.gz NSXMXVSIMMJIJV-CQSZACIVSA-N 1 2 280.412 1.960 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2cc(C)ccc2n1 ZINC001038503159 697889118 /nfs/dbraw/zinc/88/91/18/697889118.db2.gz VKFLEWAZPFRKMO-HNNXBMFYSA-N 1 2 293.370 1.981 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2cc(C)ccc2n1 ZINC001038503159 697889119 /nfs/dbraw/zinc/88/91/19/697889119.db2.gz VKFLEWAZPFRKMO-HNNXBMFYSA-N 1 2 293.370 1.981 20 30 CDEDLO C#CC1(F)CN(C(=O)[C@@H](C(CC)CC)[NH+]2CCOCC2)C1 ZINC000881942633 697894065 /nfs/dbraw/zinc/89/40/65/697894065.db2.gz AJKGBRHKKACJML-CQSZACIVSA-N 1 2 296.386 1.307 20 30 CDEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2[nH]nc3c2C[C@H](C)CC3)C1 ZINC001015926653 697902701 /nfs/dbraw/zinc/90/27/01/697902701.db2.gz URRWUTCSOGTFPQ-NEPJUHHUSA-N 1 2 288.395 1.525 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3c2C[C@H](C)CC3)C1 ZINC001015926653 697902714 /nfs/dbraw/zinc/90/27/14/697902714.db2.gz URRWUTCSOGTFPQ-NEPJUHHUSA-N 1 2 288.395 1.525 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2occc2Cl)C1 ZINC001008417435 697938321 /nfs/dbraw/zinc/93/83/21/697938321.db2.gz KKKMXLPAJZXOGD-SNVBAGLBSA-N 1 2 266.728 1.760 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2occc2Cl)C1 ZINC001008417435 697938324 /nfs/dbraw/zinc/93/83/24/697938324.db2.gz KKKMXLPAJZXOGD-SNVBAGLBSA-N 1 2 266.728 1.760 20 30 CDEDLO N#CC1CCC(CNC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000868052219 697941573 /nfs/dbraw/zinc/94/15/73/697941573.db2.gz GFOIIZZKWWEXCA-UPHRSURJSA-N 1 2 291.395 1.321 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CCC2CCC2)C1 ZINC000885508292 697952259 /nfs/dbraw/zinc/95/22/59/697952259.db2.gz DYKJEUDPQXSGRF-CQSZACIVSA-N 1 2 284.425 1.194 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCC2CCC2)C1 ZINC000885508292 697952264 /nfs/dbraw/zinc/95/22/64/697952264.db2.gz DYKJEUDPQXSGRF-CQSZACIVSA-N 1 2 284.425 1.194 20 30 CDEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)F)C[C@@H]21 ZINC001074132191 697959267 /nfs/dbraw/zinc/95/92/67/697959267.db2.gz USUBTPBLIUQTCU-QWHCGFSZSA-N 1 2 284.375 1.612 20 30 CDEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)F)C[C@@H]21 ZINC001074132191 697959272 /nfs/dbraw/zinc/95/92/72/697959272.db2.gz USUBTPBLIUQTCU-QWHCGFSZSA-N 1 2 284.375 1.612 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2C/C=C/Cl)cn1 ZINC001038927757 697998435 /nfs/dbraw/zinc/99/84/35/697998435.db2.gz BIYRYQNYSXAHFD-UFZAZABTSA-N 1 2 289.766 1.620 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C/C=C/Cl)cn1 ZINC001038927757 697998445 /nfs/dbraw/zinc/99/84/45/697998445.db2.gz BIYRYQNYSXAHFD-UFZAZABTSA-N 1 2 289.766 1.620 20 30 CDEDLO C=C(Cl)CNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000839487544 698008584 /nfs/dbraw/zinc/00/85/84/698008584.db2.gz RHNREKMNLIRYAS-UHFFFAOYSA-N 1 2 281.743 1.814 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2cccn2cn1 ZINC001038397794 698086733 /nfs/dbraw/zinc/08/67/33/698086733.db2.gz KECKAFFQIDHVEL-CQSZACIVSA-N 1 2 282.347 1.162 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2cccn2cn1 ZINC001038397794 698086738 /nfs/dbraw/zinc/08/67/38/698086738.db2.gz KECKAFFQIDHVEL-CQSZACIVSA-N 1 2 282.347 1.162 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cncc3sccc32)C1 ZINC001030834784 698087315 /nfs/dbraw/zinc/08/73/15/698087315.db2.gz NHCBPHURNIRHPE-UHFFFAOYSA-N 1 2 285.372 1.734 20 30 CDEDLO C=CCN1CC[C@H](OC(=O)c2ccn3c(C)c[nH+]c3c2)C1=O ZINC000848782194 698095780 /nfs/dbraw/zinc/09/57/80/698095780.db2.gz HTMWRLDWTVPBFJ-ZDUSSCGKSA-N 1 2 299.330 1.586 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)CCOC2 ZINC001032514203 698177319 /nfs/dbraw/zinc/17/73/19/698177319.db2.gz MMBYDHBOECRGHO-IRXDYDNUSA-N 1 2 296.370 1.291 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)CCOC2 ZINC001032514203 698177320 /nfs/dbraw/zinc/17/73/20/698177320.db2.gz MMBYDHBOECRGHO-IRXDYDNUSA-N 1 2 296.370 1.291 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cn(C(C)C)nc2C)C1 ZINC001031244078 698205002 /nfs/dbraw/zinc/20/50/02/698205002.db2.gz NLFXSZDFWYPLJC-UHFFFAOYSA-N 1 2 276.384 1.763 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cncc(C)c2)C1 ZINC001042569964 698246160 /nfs/dbraw/zinc/24/61/60/698246160.db2.gz KVFGOJHTQIVNTM-UHFFFAOYSA-N 1 2 257.337 1.170 20 30 CDEDLO Cc1nc(C#N)cc(NCC[N@@H+]2CCOCC2(C)C)n1 ZINC000881916139 698330911 /nfs/dbraw/zinc/33/09/11/698330911.db2.gz WHSUZALYHHCVRN-UHFFFAOYSA-N 1 2 275.356 1.179 20 30 CDEDLO Cc1nc(C#N)cc(NCC[N@H+]2CCOCC2(C)C)n1 ZINC000881916139 698330913 /nfs/dbraw/zinc/33/09/13/698330913.db2.gz WHSUZALYHHCVRN-UHFFFAOYSA-N 1 2 275.356 1.179 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CC(=O)N(CC)C1 ZINC000853665954 698341001 /nfs/dbraw/zinc/34/10/01/698341001.db2.gz WFSUQWXMQXYPSJ-ZDUSSCGKSA-N 1 2 287.363 1.907 20 30 CDEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2ccc(F)c(C#N)c2)C1 ZINC000805469685 698347905 /nfs/dbraw/zinc/34/79/05/698347905.db2.gz OJTIGPGQSUMXGA-CQSZACIVSA-N 1 2 292.310 1.461 20 30 CDEDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2ccc(F)c(C#N)c2)C1 ZINC000805469685 698347910 /nfs/dbraw/zinc/34/79/10/698347910.db2.gz OJTIGPGQSUMXGA-CQSZACIVSA-N 1 2 292.310 1.461 20 30 CDEDLO C[NH+]1CCN(N=Cc2ccc(O)c(F)c2F)CC1 ZINC000884370326 698372199 /nfs/dbraw/zinc/37/21/99/698372199.db2.gz GPZSMEFNIIDEHK-UHFFFAOYSA-N 1 2 255.268 1.252 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cnc(C)o2)C1 ZINC001007487422 698388403 /nfs/dbraw/zinc/38/84/03/698388403.db2.gz HZURUWYWVUWZBV-LBPRGKRZSA-N 1 2 297.786 1.859 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cnc(C)o2)C1 ZINC001007487422 698388410 /nfs/dbraw/zinc/38/84/10/698388410.db2.gz HZURUWYWVUWZBV-LBPRGKRZSA-N 1 2 297.786 1.859 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@H](CC)O2)C1 ZINC001042825467 698423710 /nfs/dbraw/zinc/42/37/10/698423710.db2.gz AGSBZJKWXSDHQQ-UONOGXRCSA-N 1 2 264.369 1.110 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc(C)n1 ZINC001050820640 698445739 /nfs/dbraw/zinc/44/57/39/698445739.db2.gz FNDPLORGLNVWLJ-AWEZNQCLSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc(C)n1 ZINC001050820640 698445747 /nfs/dbraw/zinc/44/57/47/698445747.db2.gz FNDPLORGLNVWLJ-AWEZNQCLSA-N 1 2 289.379 1.397 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2C[C@H](C)Cc3c[nH]nc32)C1 ZINC001030836430 698471178 /nfs/dbraw/zinc/47/11/78/698471178.db2.gz OTSDIPLJEULDKI-RISCZKNCSA-N 1 2 288.395 1.452 20 30 CDEDLO C#CCCCCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000780674324 698475749 /nfs/dbraw/zinc/47/57/49/698475749.db2.gz MPHMWJTYOSFFQC-ZDUSSCGKSA-N 1 2 291.351 1.194 20 30 CDEDLO C#CCCCCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000780674324 698475763 /nfs/dbraw/zinc/47/57/63/698475763.db2.gz MPHMWJTYOSFFQC-ZDUSSCGKSA-N 1 2 291.351 1.194 20 30 CDEDLO C=CCn1cccc1C(=O)NCC1C[NH+](CCF)C1 ZINC001031733204 698482130 /nfs/dbraw/zinc/48/21/30/698482130.db2.gz QGBZOMLPHXNBSS-UHFFFAOYSA-N 1 2 265.332 1.305 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1nc2cnccc2s1 ZINC001038490933 698482848 /nfs/dbraw/zinc/48/28/48/698482848.db2.gz YXIYHFMEPZPVMO-JTQLQIEISA-N 1 2 288.376 1.681 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1nc2cnccc2s1 ZINC001038490933 698482849 /nfs/dbraw/zinc/48/28/49/698482849.db2.gz YXIYHFMEPZPVMO-JTQLQIEISA-N 1 2 288.376 1.681 20 30 CDEDLO COc1c(O)c(C[NH2+]CCC#N)ccc1[N+](=O)[O-] ZINC000787298061 698513495 /nfs/dbraw/zinc/51/34/95/698513495.db2.gz DPWSPHOYDZWHJK-UHFFFAOYSA-N 1 2 251.242 1.312 20 30 CDEDLO C#CCCCCCC(=O)N[C@@H](Cn1cc[nH+]c1)C(=O)OC ZINC000807284021 698513956 /nfs/dbraw/zinc/51/39/56/698513956.db2.gz HEXRXTQNXMFYDK-ZDUSSCGKSA-N 1 2 291.351 1.125 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)cc(C)nc1C ZINC001038532881 698623993 /nfs/dbraw/zinc/62/39/93/698623993.db2.gz RBDWRNGZCBPPAX-OAHLLOKOSA-N 1 2 285.391 1.834 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)cc(C)nc1C ZINC001038532881 698623994 /nfs/dbraw/zinc/62/39/94/698623994.db2.gz RBDWRNGZCBPPAX-OAHLLOKOSA-N 1 2 285.391 1.834 20 30 CDEDLO C#CCO[C@H](C)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000822726087 698627541 /nfs/dbraw/zinc/62/75/41/698627541.db2.gz MKPORUCENPFUBO-CHWSQXEVSA-N 1 2 277.368 1.452 20 30 CDEDLO C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2=NC(=O)N(C)C2)C1 ZINC000989396914 698759739 /nfs/dbraw/zinc/75/97/39/698759739.db2.gz HSGPTKOBXJVRMY-NXEZZACHSA-N 1 2 298.774 1.071 20 30 CDEDLO C=C(Br)CN1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000831791833 698778323 /nfs/dbraw/zinc/77/83/23/698778323.db2.gz RDCROWDQIRPJNM-PHIMTYICSA-N 1 2 277.206 1.282 20 30 CDEDLO C=C(Br)CN1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000831791833 698778334 /nfs/dbraw/zinc/77/83/34/698778334.db2.gz RDCROWDQIRPJNM-PHIMTYICSA-N 1 2 277.206 1.282 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC(CC)(C1CC1)C1CC1 ZINC000884431937 698802594 /nfs/dbraw/zinc/80/25/94/698802594.db2.gz NDFALJYLZTYAFW-ZDUSSCGKSA-N 1 2 294.395 1.518 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccoc1C)O2 ZINC001053570330 698812899 /nfs/dbraw/zinc/81/28/99/698812899.db2.gz QMNZNERSBFWSQH-CYBMUJFWSA-N 1 2 290.363 1.737 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@]1(C)C=CCC1)CO2 ZINC001053896291 698814154 /nfs/dbraw/zinc/81/41/54/698814154.db2.gz VMGCAIAIEQLKIL-GDBMZVCRSA-N 1 2 288.391 1.326 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC001038504383 698814614 /nfs/dbraw/zinc/81/46/14/698814614.db2.gz ZSWPKXQSAJFZQA-CQSZACIVSA-N 1 2 298.386 1.794 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC001038504383 698814615 /nfs/dbraw/zinc/81/46/15/698814615.db2.gz ZSWPKXQSAJFZQA-CQSZACIVSA-N 1 2 298.386 1.794 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(C2CC2)o1 ZINC001038357020 698826910 /nfs/dbraw/zinc/82/69/10/698826910.db2.gz MFRXVRPEQRRRAM-LLVKDONJSA-N 1 2 261.325 1.542 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(C2CC2)o1 ZINC001038357020 698826914 /nfs/dbraw/zinc/82/69/14/698826914.db2.gz MFRXVRPEQRRRAM-LLVKDONJSA-N 1 2 261.325 1.542 20 30 CDEDLO C#CC[NH+]1CCN(c2cc(-c3ccccc3)ncn2)CC1 ZINC000872402328 698831941 /nfs/dbraw/zinc/83/19/41/698831941.db2.gz CAZAQHSUBFPKFO-UHFFFAOYSA-N 1 2 278.359 1.899 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000188543345 698839656 /nfs/dbraw/zinc/83/96/56/698839656.db2.gz XLUPVFHGRVIBOS-HIFRSBDPSA-N 1 2 285.384 1.479 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CCNc1cnccc1C#N ZINC000872772049 698841418 /nfs/dbraw/zinc/84/14/18/698841418.db2.gz OOHLHWJYHNWBQO-CYBMUJFWSA-N 1 2 260.341 1.476 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CCNc1cnccc1C#N ZINC000872772049 698841420 /nfs/dbraw/zinc/84/14/20/698841420.db2.gz OOHLHWJYHNWBQO-CYBMUJFWSA-N 1 2 260.341 1.476 20 30 CDEDLO C#CCO[C@H](C)C(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000822702188 698847803 /nfs/dbraw/zinc/84/78/03/698847803.db2.gz RCJVPSIFLUORRO-LLVKDONJSA-N 1 2 295.408 1.962 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c([nH]1)CCOC2 ZINC001017605432 698964562 /nfs/dbraw/zinc/96/45/62/698964562.db2.gz FXICKFDSLCWERN-OKILXGFUSA-N 1 2 299.374 1.009 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c([nH]1)CCOC2 ZINC001017605432 698964566 /nfs/dbraw/zinc/96/45/66/698964566.db2.gz FXICKFDSLCWERN-OKILXGFUSA-N 1 2 299.374 1.009 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCc3ccc(OC)cc32)C1 ZINC001030453283 698967173 /nfs/dbraw/zinc/96/71/73/698967173.db2.gz BWKCENRNBLHJHE-INIZCTEOSA-N 1 2 298.386 1.549 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cnn(C)c2)C1 ZINC001032947717 698970366 /nfs/dbraw/zinc/97/03/66/698970366.db2.gz QRPZLVBFKFFBSO-CYBMUJFWSA-N 1 2 296.802 1.248 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cnn(C)c2)C1 ZINC001032947717 698970370 /nfs/dbraw/zinc/97/03/70/698970370.db2.gz QRPZLVBFKFFBSO-CYBMUJFWSA-N 1 2 296.802 1.248 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnon3)C[C@H]21 ZINC001042275323 698984093 /nfs/dbraw/zinc/98/40/93/698984093.db2.gz APQWWHGXJPETNC-ZYHUDNBSSA-N 1 2 296.758 1.359 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cnon3)C[C@H]21 ZINC001042275323 698984096 /nfs/dbraw/zinc/98/40/96/698984096.db2.gz APQWWHGXJPETNC-ZYHUDNBSSA-N 1 2 296.758 1.359 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1C#C ZINC001018214203 698992954 /nfs/dbraw/zinc/99/29/54/698992954.db2.gz NTOIFAMANNHIAX-HDICACEKSA-N 1 2 292.382 1.519 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1C#C ZINC001018214203 698992966 /nfs/dbraw/zinc/99/29/66/698992966.db2.gz NTOIFAMANNHIAX-HDICACEKSA-N 1 2 292.382 1.519 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccn[nH]2)C1 ZINC001046162493 698993664 /nfs/dbraw/zinc/99/36/64/698993664.db2.gz JNVQVULYVKZFKO-LBPRGKRZSA-N 1 2 268.748 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccn[nH]2)C1 ZINC001046162493 698993667 /nfs/dbraw/zinc/99/36/67/698993667.db2.gz JNVQVULYVKZFKO-LBPRGKRZSA-N 1 2 268.748 1.356 20 30 CDEDLO C=CC[N@@H+](CC(=O)OCC)C[C@H](O)CC1(C#N)CCC1 ZINC000885966792 698995661 /nfs/dbraw/zinc/99/56/61/698995661.db2.gz DCIFJWCRJSGLSW-CYBMUJFWSA-N 1 2 280.368 1.482 20 30 CDEDLO C=CC[N@H+](CC(=O)OCC)C[C@H](O)CC1(C#N)CCC1 ZINC000885966792 698995667 /nfs/dbraw/zinc/99/56/67/698995667.db2.gz DCIFJWCRJSGLSW-CYBMUJFWSA-N 1 2 280.368 1.482 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@H+]2C/C=C\Cl)c1 ZINC001038147214 699002251 /nfs/dbraw/zinc/00/22/51/699002251.db2.gz VJDQGUDEPDJRPV-DGWOPVBCSA-N 1 2 278.743 1.443 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@@H+]2C/C=C\Cl)c1 ZINC001038147214 699002255 /nfs/dbraw/zinc/00/22/55/699002255.db2.gz VJDQGUDEPDJRPV-DGWOPVBCSA-N 1 2 278.743 1.443 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)C)C[C@H]21 ZINC001074174312 704819971 /nfs/dbraw/zinc/81/99/71/704819971.db2.gz NLKWTTLDFJEZJP-ZIAGYGMSSA-N 1 2 266.385 1.520 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)C)C[C@H]21 ZINC001074174312 704819974 /nfs/dbraw/zinc/81/99/74/704819974.db2.gz NLKWTTLDFJEZJP-ZIAGYGMSSA-N 1 2 266.385 1.520 20 30 CDEDLO CCC1CC(=O)C(=CNCCCn2cc[nH+]c2)C(=O)C1 ZINC000194956698 704859634 /nfs/dbraw/zinc/85/96/34/704859634.db2.gz GGAZRRPZQAPMPV-UHFFFAOYSA-N 1 2 275.352 1.705 20 30 CDEDLO C=C[C@H](O)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000814551103 704861974 /nfs/dbraw/zinc/86/19/74/704861974.db2.gz QFGJFRLNXQOGQP-AWEZNQCLSA-N 1 2 272.304 1.771 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccnn2CCC)C1 ZINC001014581076 704863547 /nfs/dbraw/zinc/86/35/47/704863547.db2.gz XHUCFFHNAWFBKY-GFCCVEGCSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccnn2CCC)C1 ZINC001014581076 704863549 /nfs/dbraw/zinc/86/35/49/704863549.db2.gz XHUCFFHNAWFBKY-GFCCVEGCSA-N 1 2 296.802 1.850 20 30 CDEDLO C#CC1(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCCC1 ZINC000883551907 704865316 /nfs/dbraw/zinc/86/53/16/704865316.db2.gz CCXISGOSZSAESN-CQSZACIVSA-N 1 2 298.390 1.906 20 30 CDEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)c(C)s2)C1 ZINC001047621716 704880589 /nfs/dbraw/zinc/88/05/89/704880589.db2.gz YNGZGNMOEBFGRG-STQMWFEESA-N 1 2 292.404 1.115 20 30 CDEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)c(C)s2)C1 ZINC001047621716 704880591 /nfs/dbraw/zinc/88/05/91/704880591.db2.gz YNGZGNMOEBFGRG-STQMWFEESA-N 1 2 292.404 1.115 20 30 CDEDLO O=C(C#Cc1cccs1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857941805 704885970 /nfs/dbraw/zinc/88/59/70/704885970.db2.gz NRFOZYLVPBCIIP-NSHDSACASA-N 1 2 271.345 1.427 20 30 CDEDLO N#Cc1sc(N2CCn3c[nH+]cc3C2)nc1Cl ZINC000811857357 704895626 /nfs/dbraw/zinc/89/56/26/704895626.db2.gz DATAGPPEDJDDNQ-UHFFFAOYSA-N 1 2 265.729 1.885 20 30 CDEDLO CCC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046055292 704897150 /nfs/dbraw/zinc/89/71/50/704897150.db2.gz VURCGIRTQCSJON-CQSZACIVSA-N 1 2 292.427 1.165 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC001054032131 704898392 /nfs/dbraw/zinc/89/83/92/704898392.db2.gz RZNQOUDVJWHMBW-IAGOWNOFSA-N 1 2 298.386 1.342 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC001054032131 704898396 /nfs/dbraw/zinc/89/83/96/704898396.db2.gz RZNQOUDVJWHMBW-IAGOWNOFSA-N 1 2 298.386 1.342 20 30 CDEDLO Cc1ccccc1C[NH+]1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001030222901 705013141 /nfs/dbraw/zinc/01/31/41/705013141.db2.gz LFJGLXZWLRWRNU-UHFFFAOYSA-N 1 2 294.358 1.809 20 30 CDEDLO C#C[C@@H](NC(=O)N[C@H](CC)C[NH+]1CCOCC1)C(C)C ZINC000922520082 705029603 /nfs/dbraw/zinc/02/96/03/705029603.db2.gz KCSZVBUEFWBCOB-ZIAGYGMSSA-N 1 2 281.400 1.054 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](OC)C1CCCCC1 ZINC001032824358 705056477 /nfs/dbraw/zinc/05/64/77/705056477.db2.gz RBTBTHSRYUSNOI-JYJNAYRXSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](OC)C1CCCCC1 ZINC001032824358 705056487 /nfs/dbraw/zinc/05/64/87/705056487.db2.gz RBTBTHSRYUSNOI-JYJNAYRXSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OCC)nc1 ZINC001017594080 705063258 /nfs/dbraw/zinc/06/32/58/705063258.db2.gz MTKXJLATARAFSL-GASCZTMLSA-N 1 2 299.374 1.402 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OCC)nc1 ZINC001017594080 705063266 /nfs/dbraw/zinc/06/32/66/705063266.db2.gz MTKXJLATARAFSL-GASCZTMLSA-N 1 2 299.374 1.402 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@@H]2OC)C1 ZINC001043147532 705080127 /nfs/dbraw/zinc/08/01/27/705080127.db2.gz ORFJNNRGORWRDK-OLZOCXBDSA-N 1 2 252.358 1.130 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(F)c1C ZINC001032414445 705096477 /nfs/dbraw/zinc/09/64/77/705096477.db2.gz ASPHVHAFKNUZJZ-STQMWFEESA-N 1 2 272.323 1.666 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(F)c1C ZINC001032414445 705096482 /nfs/dbraw/zinc/09/64/82/705096482.db2.gz ASPHVHAFKNUZJZ-STQMWFEESA-N 1 2 272.323 1.666 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnoc2-c2ccccc2)C1 ZINC001031187009 705154926 /nfs/dbraw/zinc/15/49/26/705154926.db2.gz PDACPNROGGRELD-UHFFFAOYSA-N 1 2 295.342 1.779 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1occc1C ZINC001050823264 705156037 /nfs/dbraw/zinc/15/60/37/705156037.db2.gz RMWKDIKNRJJVOL-ZDUSSCGKSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1occc1C ZINC001050823264 705156041 /nfs/dbraw/zinc/15/60/41/705156041.db2.gz RMWKDIKNRJJVOL-ZDUSSCGKSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C2CCCC2)CC1 ZINC001070930317 705162991 /nfs/dbraw/zinc/16/29/91/705162991.db2.gz VNLJDDKBAWQBQM-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C2CCCC2)CC1 ZINC001070930317 705162998 /nfs/dbraw/zinc/16/29/98/705162998.db2.gz VNLJDDKBAWQBQM-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1csnc1C ZINC001038178757 705210683 /nfs/dbraw/zinc/21/06/83/705210683.db2.gz CGAMEBJWXZEGML-SNVBAGLBSA-N 1 2 251.355 1.442 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1csnc1C ZINC001038178757 705210686 /nfs/dbraw/zinc/21/06/86/705210686.db2.gz CGAMEBJWXZEGML-SNVBAGLBSA-N 1 2 251.355 1.442 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CCC3)C[C@@H]21 ZINC001074133956 705244079 /nfs/dbraw/zinc/24/40/79/705244079.db2.gz UPXDNRXKPBJGGV-LSDHHAIUSA-N 1 2 278.396 1.664 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3CCC3)C[C@@H]21 ZINC001074133956 705244084 /nfs/dbraw/zinc/24/40/84/705244084.db2.gz UPXDNRXKPBJGGV-LSDHHAIUSA-N 1 2 278.396 1.664 20 30 CDEDLO CO[C@@H]1CC[N@H+](Cn2ccc(C)c(C#N)c2=O)C[C@@H]1C ZINC000840122327 705292032 /nfs/dbraw/zinc/29/20/32/705292032.db2.gz HNUWTUHWNKSDNO-GXTWGEPZSA-N 1 2 275.352 1.343 20 30 CDEDLO CO[C@@H]1CC[N@@H+](Cn2ccc(C)c(C#N)c2=O)C[C@@H]1C ZINC000840122327 705292039 /nfs/dbraw/zinc/29/20/39/705292039.db2.gz HNUWTUHWNKSDNO-GXTWGEPZSA-N 1 2 275.352 1.343 20 30 CDEDLO C=CC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001165031311 721865380 /nfs/dbraw/zinc/86/53/80/721865380.db2.gz CQYAKRWLESTKPQ-UHFFFAOYSA-N 1 2 293.283 1.206 20 30 CDEDLO CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2snnc2CC)C1 ZINC001046463362 848060667 /nfs/dbraw/zinc/06/06/67/848060667.db2.gz QGVCNKMFBUWTCW-CQSZACIVSA-N 1 2 292.408 1.318 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@](C)(NC(=O)c2snnc2CC)C1 ZINC001046463362 848060673 /nfs/dbraw/zinc/06/06/73/848060673.db2.gz QGVCNKMFBUWTCW-CQSZACIVSA-N 1 2 292.408 1.318 20 30 CDEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1sccc1C(N)=O ZINC000846985632 848065207 /nfs/dbraw/zinc/06/52/07/848065207.db2.gz GVVWSAOTRLXDSJ-BDAKNGLRSA-N 1 2 294.380 1.456 20 30 CDEDLO C=CC[N@H+]1CCC[C@H](NC(=O)c2[nH]nc(C)c2C)[C@H]1C ZINC000993126700 848071387 /nfs/dbraw/zinc/07/13/87/848071387.db2.gz RLKBMZCWQSQKAQ-OLZOCXBDSA-N 1 2 276.384 1.795 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)c2[nH]nc(C)c2C)[C@H]1C ZINC000993126700 848071392 /nfs/dbraw/zinc/07/13/92/848071392.db2.gz RLKBMZCWQSQKAQ-OLZOCXBDSA-N 1 2 276.384 1.795 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CC(C)C)C[C@H]21 ZINC001074148457 848171838 /nfs/dbraw/zinc/17/18/38/848171838.db2.gz VOGVFPLHBPTFKD-CABCVRRESA-N 1 2 278.396 1.358 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC(C)C)C[C@H]21 ZINC001074148457 848171850 /nfs/dbraw/zinc/17/18/50/848171850.db2.gz VOGVFPLHBPTFKD-CABCVRRESA-N 1 2 278.396 1.358 20 30 CDEDLO CCN(CCC#N)C(=O)CN1CCc2c([nH+]cn2CC)C1 ZINC000933260105 848194422 /nfs/dbraw/zinc/19/44/22/848194422.db2.gz XUKYUUFJEJOIFB-UHFFFAOYSA-N 1 2 289.383 1.023 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1nc(Cl)cs1 ZINC001028097551 848343812 /nfs/dbraw/zinc/34/38/12/848343812.db2.gz WZYZOQWYDRTGJO-VIFPVBQESA-N 1 2 283.784 1.624 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1nc(Cl)cs1 ZINC001028097551 848343822 /nfs/dbraw/zinc/34/38/22/848343822.db2.gz WZYZOQWYDRTGJO-VIFPVBQESA-N 1 2 283.784 1.624 20 30 CDEDLO C=C[C@H](O)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000814541823 848358888 /nfs/dbraw/zinc/35/88/88/848358888.db2.gz UVFRGHBQDXDRKE-ZDUSSCGKSA-N 1 2 258.277 1.462 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[C@@]23CCOC3)C1 ZINC001032117120 848359489 /nfs/dbraw/zinc/35/94/89/848359489.db2.gz WMNDYQYIMJKURW-GXTWGEPZSA-N 1 2 284.787 1.214 20 30 CDEDLO Cc1cc(-n2c(C)cc(C=NNC3=[NH+]CCN3)c2C)no1 ZINC000841662735 848402994 /nfs/dbraw/zinc/40/29/94/848402994.db2.gz QPDBFSUJZUGYQN-UHFFFAOYSA-N 1 2 286.339 1.273 20 30 CDEDLO N#Cc1ccc(NC[C@H](O)C[NH+]2CCOCC2)c(Cl)c1 ZINC000236545502 848419421 /nfs/dbraw/zinc/41/94/21/848419421.db2.gz PMSYKQGTMMADES-LBPRGKRZSA-N 1 2 295.770 1.317 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(O)cc2F)C1 ZINC000923561993 848445786 /nfs/dbraw/zinc/44/57/86/848445786.db2.gz BHHOZIHLGKOREF-NSHDSACASA-N 1 2 276.311 1.359 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(O)cc2F)C1 ZINC000923561993 848445788 /nfs/dbraw/zinc/44/57/88/848445788.db2.gz BHHOZIHLGKOREF-NSHDSACASA-N 1 2 276.311 1.359 20 30 CDEDLO CC1(C)CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1NCC#N ZINC000996037582 848472729 /nfs/dbraw/zinc/47/27/29/848472729.db2.gz DYEVUPNVMMOXRX-CYBMUJFWSA-N 1 2 297.362 1.298 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)C)CO2 ZINC001053989716 848480467 /nfs/dbraw/zinc/48/04/67/848480467.db2.gz KOMBBSIHOKVFFE-GFCCVEGCSA-N 1 2 264.369 1.015 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001038357663 848525754 /nfs/dbraw/zinc/52/57/54/848525754.db2.gz QHULBQILMNLHTO-LLVKDONJSA-N 1 2 264.275 1.402 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001038357663 848525760 /nfs/dbraw/zinc/52/57/60/848525760.db2.gz QHULBQILMNLHTO-LLVKDONJSA-N 1 2 264.275 1.402 20 30 CDEDLO C[C@H](C#N)OCC[NH+]1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000801935083 848526251 /nfs/dbraw/zinc/52/62/51/848526251.db2.gz WQBCUKOCGWMGQL-VXGBXAGGSA-N 1 2 282.413 1.024 20 30 CDEDLO N#CCCCC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874890390 848532134 /nfs/dbraw/zinc/53/21/34/848532134.db2.gz RILWIIZDIQMURK-CQSZACIVSA-N 1 2 275.327 1.992 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCN(C)[C@H](CO)C1 ZINC000931402969 848535153 /nfs/dbraw/zinc/53/51/53/848535153.db2.gz YRXXLOORBNWEKE-DOMZBBRYSA-N 1 2 259.353 1.228 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCN(C)[C@H](CO)C1 ZINC000931402969 848535160 /nfs/dbraw/zinc/53/51/60/848535160.db2.gz YRXXLOORBNWEKE-DOMZBBRYSA-N 1 2 259.353 1.228 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H]2CCCO2)C1 ZINC001042493624 848541928 /nfs/dbraw/zinc/54/19/28/848541928.db2.gz PADCILMYKCGBOZ-ZDUSSCGKSA-N 1 2 252.358 1.274 20 30 CDEDLO CC(C)(C)C#CC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000838373162 848547210 /nfs/dbraw/zinc/54/72/10/848547210.db2.gz YDZCRBWLKGAYHZ-BETUJISGSA-N 1 2 265.353 1.442 20 30 CDEDLO CC(C)(C)C#CC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000838373162 848547213 /nfs/dbraw/zinc/54/72/13/848547213.db2.gz YDZCRBWLKGAYHZ-BETUJISGSA-N 1 2 265.353 1.442 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2[nH]c(=O)oc21 ZINC001032823054 848649986 /nfs/dbraw/zinc/64/99/86/848649986.db2.gz FCSJRXQUXKFLIP-QWRGUYRKSA-N 1 2 297.314 1.065 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2[nH]c(=O)oc21 ZINC001032823054 848649993 /nfs/dbraw/zinc/64/99/93/848649993.db2.gz FCSJRXQUXKFLIP-QWRGUYRKSA-N 1 2 297.314 1.065 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2ccccc2C1 ZINC001038754946 848748864 /nfs/dbraw/zinc/74/88/64/848748864.db2.gz MMDWUMNHYIWVKH-DLBZAZTESA-N 1 2 282.387 1.615 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2ccccc2C1 ZINC001038754946 848748868 /nfs/dbraw/zinc/74/88/68/848748868.db2.gz MMDWUMNHYIWVKH-DLBZAZTESA-N 1 2 282.387 1.615 20 30 CDEDLO C=CCCSCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000869237828 848765931 /nfs/dbraw/zinc/76/59/31/848765931.db2.gz CSBUFAKRZSGUTI-PLNGDYQASA-N 1 2 284.425 1.300 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn(CC(C)C)c2)C1 ZINC001031152253 848785586 /nfs/dbraw/zinc/78/55/86/848785586.db2.gz FKXVRAKISXAHSQ-UHFFFAOYSA-N 1 2 276.384 1.529 20 30 CDEDLO C=C(C)CNC(=S)NCC[N@H+]1CCOC[C@@H]1CC ZINC000871688246 848825175 /nfs/dbraw/zinc/82/51/75/848825175.db2.gz HJHZIZFBFJRJRS-LBPRGKRZSA-N 1 2 271.430 1.137 20 30 CDEDLO C=C(C)CNC(=S)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000871688246 848825177 /nfs/dbraw/zinc/82/51/77/848825177.db2.gz HJHZIZFBFJRJRS-LBPRGKRZSA-N 1 2 271.430 1.137 20 30 CDEDLO C=CCCn1cc(C[NH2+]C(C)(C)C(=O)N2CCCC2)nn1 ZINC000846882206 848889762 /nfs/dbraw/zinc/88/97/62/848889762.db2.gz HYCPNJLPIHYONR-UHFFFAOYSA-N 1 2 291.399 1.345 20 30 CDEDLO CC(C)=CC[NH+]1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001042630573 848905315 /nfs/dbraw/zinc/90/53/15/848905315.db2.gz JZAGKOYFYGVDNB-UHFFFAOYSA-N 1 2 272.352 1.609 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc[nH]1 ZINC001027752954 848922789 /nfs/dbraw/zinc/92/27/89/848922789.db2.gz JOGXOSRYTSXHGL-LLVKDONJSA-N 1 2 267.760 1.961 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc[nH]1 ZINC001027752954 848922794 /nfs/dbraw/zinc/92/27/94/848922794.db2.gz JOGXOSRYTSXHGL-LLVKDONJSA-N 1 2 267.760 1.961 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000877559131 848927246 /nfs/dbraw/zinc/92/72/46/848927246.db2.gz RSAPIMNKCVZGRC-CYBMUJFWSA-N 1 2 274.324 1.226 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000877559131 848927249 /nfs/dbraw/zinc/92/72/49/848927249.db2.gz RSAPIMNKCVZGRC-CYBMUJFWSA-N 1 2 274.324 1.226 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CC(=O)N[C@H](CC)C2)C1 ZINC001043441450 848935677 /nfs/dbraw/zinc/93/56/77/848935677.db2.gz RZMUQRLOICLTQO-QWHCGFSZSA-N 1 2 293.411 1.010 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1csc([C@@H](C)OC)n1 ZINC001038254021 848942070 /nfs/dbraw/zinc/94/20/70/848942070.db2.gz QDYOPIUNOWHCRF-MNOVXSKESA-N 1 2 293.392 1.288 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1csc([C@@H](C)OC)n1 ZINC001038254021 848942071 /nfs/dbraw/zinc/94/20/71/848942071.db2.gz QDYOPIUNOWHCRF-MNOVXSKESA-N 1 2 293.392 1.288 20 30 CDEDLO CC(C)[C@@H]([NH2+]CCO[C@@H](C)C#N)C(=O)OC(C)(C)C ZINC000801940333 848946138 /nfs/dbraw/zinc/94/61/38/848946138.db2.gz VZRQCRINWKAZHT-NWDGAFQWSA-N 1 2 270.373 1.871 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccccc1 ZINC001038797162 848970326 /nfs/dbraw/zinc/97/03/26/848970326.db2.gz RPXPYPQBKPMJKO-ZACQAIPSSA-N 1 2 298.386 1.588 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccccc1 ZINC001038797162 848970330 /nfs/dbraw/zinc/97/03/30/848970330.db2.gz RPXPYPQBKPMJKO-ZACQAIPSSA-N 1 2 298.386 1.588 20 30 CDEDLO C[C@@H](C#N)OCCN1CC[NH+](Cc2ccncc2)CC1 ZINC000801935968 848989016 /nfs/dbraw/zinc/98/90/16/848989016.db2.gz HHYZAGRVRUSANV-AWEZNQCLSA-N 1 2 274.368 1.128 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccc(C)s2)C1 ZINC001031435267 849003421 /nfs/dbraw/zinc/00/34/21/849003421.db2.gz WIRMSKIDHFWCDD-UHFFFAOYSA-N 1 2 264.394 1.976 20 30 CDEDLO C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000837399300 849134912 /nfs/dbraw/zinc/13/49/12/849134912.db2.gz RFVVVEJKWVCCDI-OLZOCXBDSA-N 1 2 266.385 1.261 20 30 CDEDLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)O[NH+]=C(N)CCO ZINC000121362506 849165400 /nfs/dbraw/zinc/16/54/00/849165400.db2.gz FVZCBQVFCUBDOL-SECBINFHSA-N 1 2 299.758 1.647 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(F)c1 ZINC001017404202 849196633 /nfs/dbraw/zinc/19/66/33/849196633.db2.gz OEUSKECAMSNBKU-OKILXGFUSA-N 1 2 287.338 1.533 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(F)c1 ZINC001017404202 849196642 /nfs/dbraw/zinc/19/66/42/849196642.db2.gz OEUSKECAMSNBKU-OKILXGFUSA-N 1 2 287.338 1.533 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)nc1C1CC1 ZINC001032545094 849217818 /nfs/dbraw/zinc/21/78/18/849217818.db2.gz XDWAWMQGYHBQLG-GJZGRUSLSA-N 1 2 295.386 1.799 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)nc1C1CC1 ZINC001032545094 849217824 /nfs/dbraw/zinc/21/78/24/849217824.db2.gz XDWAWMQGYHBQLG-GJZGRUSLSA-N 1 2 295.386 1.799 20 30 CDEDLO C#CC[NH+]1CCC(N(C)C(=O)c2cc(C(C)C)[nH]n2)CC1 ZINC001006017316 849225653 /nfs/dbraw/zinc/22/56/53/849225653.db2.gz XSCNQZUXYVJIRN-UHFFFAOYSA-N 1 2 288.395 1.703 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn(CC)c2C)C1 ZINC001044081947 849234691 /nfs/dbraw/zinc/23/46/91/849234691.db2.gz MOYZWBKYOCQBBT-UHFFFAOYSA-N 1 2 276.384 1.544 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(C)n(C)n2)C1 ZINC001046175138 849248355 /nfs/dbraw/zinc/24/83/55/849248355.db2.gz CHYLKLSUGJNLFQ-CQSZACIVSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C)n(C)n2)C1 ZINC001046175138 849248358 /nfs/dbraw/zinc/24/83/58/849248358.db2.gz CHYLKLSUGJNLFQ-CQSZACIVSA-N 1 2 296.802 1.675 20 30 CDEDLO NS(=O)(=O)c1ccc(NNC=CC(F)(F)F)[nH+]c1 ZINC000817322520 849275563 /nfs/dbraw/zinc/27/55/63/849275563.db2.gz AUKRLSPMGRLRQS-UHFFFAOYSA-N 1 2 282.247 1.079 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3ccn(C)c3c2)C1 ZINC001044140427 849299207 /nfs/dbraw/zinc/29/92/07/849299207.db2.gz GEIUDIIFRBTSRJ-UHFFFAOYSA-N 1 2 295.386 1.958 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(C(=O)NCC(C)C)CC1 ZINC000800328912 849321558 /nfs/dbraw/zinc/32/15/58/849321558.db2.gz XAQGSSILYAQUJW-ZDUSSCGKSA-N 1 2 282.384 1.198 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2nccs2)C1 ZINC000971217442 849361152 /nfs/dbraw/zinc/36/11/52/849361152.db2.gz FBISOMJFRYDMPN-MNOVXSKESA-N 1 2 278.381 1.335 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)Cc2nccs2)C1 ZINC000971217442 849361158 /nfs/dbraw/zinc/36/11/58/849361158.db2.gz FBISOMJFRYDMPN-MNOVXSKESA-N 1 2 278.381 1.335 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cccc(F)c2C)C1 ZINC001035382926 849431395 /nfs/dbraw/zinc/43/13/95/849431395.db2.gz SSQDHCIOCKLWCN-CYBMUJFWSA-N 1 2 292.354 1.751 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cccc(F)c2C)C1 ZINC001035382926 849431402 /nfs/dbraw/zinc/43/14/02/849431402.db2.gz SSQDHCIOCKLWCN-CYBMUJFWSA-N 1 2 292.354 1.751 20 30 CDEDLO C=C1CCC(C(=O)NC2C[NH+](CCOC)C2)CC1 ZINC001030899743 849434771 /nfs/dbraw/zinc/43/47/71/849434771.db2.gz IBCLVEZYOHVAOR-UHFFFAOYSA-N 1 2 252.358 1.180 20 30 CDEDLO N#Cc1cccc(C(=O)OCc2cc[nH+]c(N)c2)c1 ZINC000787572768 849507007 /nfs/dbraw/zinc/50/70/07/849507007.db2.gz OANHTQQJXULYFI-UHFFFAOYSA-N 1 2 253.261 1.892 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)cnn2C)C1 ZINC001015560054 849522497 /nfs/dbraw/zinc/52/24/97/849522497.db2.gz FPBGWEUUWIQLIS-NSHDSACASA-N 1 2 282.775 1.285 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)cnn2C)C1 ZINC001015560054 849522506 /nfs/dbraw/zinc/52/25/06/849522506.db2.gz FPBGWEUUWIQLIS-NSHDSACASA-N 1 2 282.775 1.285 20 30 CDEDLO CO[C@H]1CC[N@H+](Cn2ccc(C)c(C#N)c2=O)C[C@H]1C ZINC000840122330 849537042 /nfs/dbraw/zinc/53/70/42/849537042.db2.gz HNUWTUHWNKSDNO-OCCSQVGLSA-N 1 2 275.352 1.343 20 30 CDEDLO CO[C@H]1CC[N@@H+](Cn2ccc(C)c(C#N)c2=O)C[C@H]1C ZINC000840122330 849537050 /nfs/dbraw/zinc/53/70/50/849537050.db2.gz HNUWTUHWNKSDNO-OCCSQVGLSA-N 1 2 275.352 1.343 20 30 CDEDLO Oc1ccc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)c(F)c1F ZINC000884442767 849547680 /nfs/dbraw/zinc/54/76/80/849547680.db2.gz PUBLXMWVXZKERT-NXEZZACHSA-N 1 2 294.305 1.864 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000356065972 849623737 /nfs/dbraw/zinc/62/37/37/849623737.db2.gz USQPRNIPHSNPMU-SWLSCSKDSA-N 1 2 277.368 1.453 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)CO2 ZINC001053932027 849628176 /nfs/dbraw/zinc/62/81/76/849628176.db2.gz JMDWXAFGUNNDSY-HZSPNIEDSA-N 1 2 294.395 1.090 20 30 CDEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)C3CC3)C2)CC1 ZINC001051966824 849657278 /nfs/dbraw/zinc/65/72/78/849657278.db2.gz MMHLYRXFFOAHDE-AWEZNQCLSA-N 1 2 297.830 1.367 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)Cc2ccn[nH]2)C1 ZINC001027343008 849659111 /nfs/dbraw/zinc/65/91/11/849659111.db2.gz OCCHCEOWQGFOHU-ZDUSSCGKSA-N 1 2 296.802 1.628 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)Cc2ccn[nH]2)C1 ZINC001027343008 849659116 /nfs/dbraw/zinc/65/91/16/849659116.db2.gz OCCHCEOWQGFOHU-ZDUSSCGKSA-N 1 2 296.802 1.628 20 30 CDEDLO C=C(Cl)CN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]cc[nH+]1 ZINC001018102645 849686447 /nfs/dbraw/zinc/68/64/47/849686447.db2.gz ODHAVAQJSVXATN-TXEJJXNPSA-N 1 2 294.786 1.380 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2NC(=O)c3ccccc32)C1 ZINC001044078113 849740388 /nfs/dbraw/zinc/74/03/88/849740388.db2.gz KDINKMQMWDSUIY-HNNXBMFYSA-N 1 2 299.374 1.190 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@]2(C)CCOC2)C1 ZINC001044091995 849752549 /nfs/dbraw/zinc/75/25/49/849752549.db2.gz RMPOBVCMIFSYSY-CQSZACIVSA-N 1 2 252.358 1.132 20 30 CDEDLO CC(N=Nc1ncccc1[N+](=O)[O-])c1ccc(N)[nH+]c1 ZINC000814870709 849761791 /nfs/dbraw/zinc/76/17/91/849761791.db2.gz PTWPSKVEKGJEKE-UHFFFAOYSA-N 1 2 272.268 1.803 20 30 CDEDLO C#CC[NH+]1CCC2(CN(C(=O)C(F)C(F)(F)F)C2)CC1 ZINC001050526287 849814351 /nfs/dbraw/zinc/81/43/51/849814351.db2.gz CDNRBRJJNADMGO-JTQLQIEISA-N 1 2 292.276 1.444 20 30 CDEDLO C#CC[NH+]1CCC2(CN(C(=O)[C@H](F)C(F)(F)F)C2)CC1 ZINC001050526287 849814359 /nfs/dbraw/zinc/81/43/59/849814359.db2.gz CDNRBRJJNADMGO-JTQLQIEISA-N 1 2 292.276 1.444 20 30 CDEDLO C=CC[C@H](C)NC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925584211 849817718 /nfs/dbraw/zinc/81/77/18/849817718.db2.gz BHCZGKPXVKZJBM-QWHCGFSZSA-N 1 2 269.389 1.361 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2CCC(C)(C)CO2)C1 ZINC001030696380 849861141 /nfs/dbraw/zinc/86/11/41/849861141.db2.gz SFKRHUFTUYJHCJ-ZDUSSCGKSA-N 1 2 266.385 1.568 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(F)(F)C1 ZINC001032436713 849872610 /nfs/dbraw/zinc/87/26/10/849872610.db2.gz OQRKRIMIFLQXIR-AVGNSLFASA-N 1 2 282.334 1.730 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(F)(F)C1 ZINC001032436713 849872618 /nfs/dbraw/zinc/87/26/18/849872618.db2.gz OQRKRIMIFLQXIR-AVGNSLFASA-N 1 2 282.334 1.730 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCC[C@H]2C(F)F)C1 ZINC001030439461 849874432 /nfs/dbraw/zinc/87/44/32/849874432.db2.gz DUDHYQAHVBUTLY-VXGBXAGGSA-N 1 2 270.323 1.492 20 30 CDEDLO C=CC[N@H+](CN1C[C@H](C2CC2)CC1=O)[C@H](C)COC ZINC000853535609 849882800 /nfs/dbraw/zinc/88/28/00/849882800.db2.gz XJBALPYJAMSCED-TZMCWYRMSA-N 1 2 266.385 1.725 20 30 CDEDLO C=CC[N@@H+](CN1C[C@H](C2CC2)CC1=O)[C@H](C)COC ZINC000853535609 849882812 /nfs/dbraw/zinc/88/28/12/849882812.db2.gz XJBALPYJAMSCED-TZMCWYRMSA-N 1 2 266.385 1.725 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)C3=COCCO3)cc2C1 ZINC001054253842 849912039 /nfs/dbraw/zinc/91/20/39/849912039.db2.gz IYLLJKRJKGKNCX-UHFFFAOYSA-N 1 2 298.342 1.140 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)C3=COCCO3)cc2C1 ZINC001054253842 849912044 /nfs/dbraw/zinc/91/20/44/849912044.db2.gz IYLLJKRJKGKNCX-UHFFFAOYSA-N 1 2 298.342 1.140 20 30 CDEDLO CC(C)C[C@H]1NC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853525691 849920558 /nfs/dbraw/zinc/92/05/58/849920558.db2.gz IMORSVYSPVFQPV-CHWSQXEVSA-N 1 2 292.383 1.536 20 30 CDEDLO CC(C)C[C@H]1NC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853525691 849920564 /nfs/dbraw/zinc/92/05/64/849920564.db2.gz IMORSVYSPVFQPV-CHWSQXEVSA-N 1 2 292.383 1.536 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccn2ccnc2c1 ZINC000834840991 849948353 /nfs/dbraw/zinc/94/83/53/849948353.db2.gz ZLCDJJMCSWTTJX-ZDUSSCGKSA-N 1 2 268.320 1.370 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccn2ccnc2c1 ZINC000834840991 849948357 /nfs/dbraw/zinc/94/83/57/849948357.db2.gz ZLCDJJMCSWTTJX-ZDUSSCGKSA-N 1 2 268.320 1.370 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2ccncc21 ZINC001032711030 850015726 /nfs/dbraw/zinc/01/57/26/850015726.db2.gz DAWZGMLJYOVQHM-GJZGRUSLSA-N 1 2 291.354 1.767 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2ccncc21 ZINC001032711030 850015733 /nfs/dbraw/zinc/01/57/33/850015733.db2.gz DAWZGMLJYOVQHM-GJZGRUSLSA-N 1 2 291.354 1.767 20 30 CDEDLO Cc1cnc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)o1 ZINC001075619949 850022466 /nfs/dbraw/zinc/02/24/66/850022466.db2.gz UQAVFZBONPFFAJ-WCFLWFBJSA-N 1 2 288.351 1.175 20 30 CDEDLO Cc1cnc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)o1 ZINC001075619949 850022471 /nfs/dbraw/zinc/02/24/71/850022471.db2.gz UQAVFZBONPFFAJ-WCFLWFBJSA-N 1 2 288.351 1.175 20 30 CDEDLO C#CC[NH+]1CC2(C1)CCN(C(=O)C(F)C(F)(F)F)CC2 ZINC001035709519 850026355 /nfs/dbraw/zinc/02/63/55/850026355.db2.gz HZJBBAFXVLOXJT-JTQLQIEISA-N 1 2 292.276 1.444 20 30 CDEDLO C=CCn1c(C)nn(CN2CCn3c[nH+]cc3C2)c1=S ZINC000811787383 850088489 /nfs/dbraw/zinc/08/84/89/850088489.db2.gz LEVQPPDYEYNNPN-UHFFFAOYSA-N 1 2 290.396 1.578 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC(=O)[C@@H]2C)C1 ZINC000923561873 850137891 /nfs/dbraw/zinc/13/78/91/850137891.db2.gz OJOQUHRUHSRRDG-RDBSUJKOSA-N 1 2 276.380 1.206 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC(=O)[C@@H]2C)C1 ZINC000923561873 850137894 /nfs/dbraw/zinc/13/78/94/850137894.db2.gz OJOQUHRUHSRRDG-RDBSUJKOSA-N 1 2 276.380 1.206 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928647212 850157058 /nfs/dbraw/zinc/15/70/58/850157058.db2.gz JFRGNTIPPHOZQS-LBPRGKRZSA-N 1 2 254.374 1.426 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ncc[nH]2)cc1 ZINC001038231151 850160845 /nfs/dbraw/zinc/16/08/45/850160845.db2.gz JHELMZGQXVKNEF-AWEZNQCLSA-N 1 2 295.346 1.286 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ncc[nH]2)cc1 ZINC001038231151 850160852 /nfs/dbraw/zinc/16/08/52/850160852.db2.gz JHELMZGQXVKNEF-AWEZNQCLSA-N 1 2 295.346 1.286 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cncnc2)C1 ZINC001034175799 850193410 /nfs/dbraw/zinc/19/34/10/850193410.db2.gz HDLWEPVDNUKUPQ-CYBMUJFWSA-N 1 2 294.786 1.813 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cncnc2)C1 ZINC001034175799 850193423 /nfs/dbraw/zinc/19/34/23/850193423.db2.gz HDLWEPVDNUKUPQ-CYBMUJFWSA-N 1 2 294.786 1.813 20 30 CDEDLO C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001022354762 850199670 /nfs/dbraw/zinc/19/96/70/850199670.db2.gz ZBCSWFFVAZMWLA-AOOOYVTPSA-N 1 2 294.786 1.501 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc(C3CC3)s2)C1 ZINC001009285396 850203907 /nfs/dbraw/zinc/20/39/07/850203907.db2.gz DIPKEMIRQFTMPM-GFCCVEGCSA-N 1 2 289.404 1.848 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc(C3CC3)s2)C1 ZINC001009285396 850203910 /nfs/dbraw/zinc/20/39/10/850203910.db2.gz DIPKEMIRQFTMPM-GFCCVEGCSA-N 1 2 289.404 1.848 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCOC[C@H]2C)C1 ZINC001030917685 850316470 /nfs/dbraw/zinc/31/64/70/850316470.db2.gz GICQPPHWBBIQEU-YPMHNXCESA-N 1 2 252.358 1.036 20 30 CDEDLO C=CCN1CC[C@@H](O[NH+]=C(N)Cc2ccccc2)C1=O ZINC000809993780 850412951 /nfs/dbraw/zinc/41/29/51/850412951.db2.gz GAJXBIYLLVIXOQ-CYBMUJFWSA-N 1 2 273.336 1.514 20 30 CDEDLO CCC[N@@H+]1CCCC[C@@H]1C(=O)[C@@H](C#N)c1nccn1C ZINC001646842196 1168186339 /nfs/dbraw/zinc/18/63/39/1168186339.db2.gz MANDLCMBUMSVDF-CHWSQXEVSA-N 1 2 274.368 1.861 20 30 CDEDLO CCC[N@H+]1CCCC[C@@H]1C(=O)[C@@H](C#N)c1nccn1C ZINC001646842196 1168186343 /nfs/dbraw/zinc/18/63/43/1168186343.db2.gz MANDLCMBUMSVDF-CHWSQXEVSA-N 1 2 274.368 1.861 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c1 ZINC001232673259 912378501 /nfs/dbraw/zinc/37/85/01/912378501.db2.gz DBDNCGWGJRDFEY-YPMHNXCESA-N 1 2 250.273 1.169 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)c1 ZINC001232673259 912378516 /nfs/dbraw/zinc/37/85/16/912378516.db2.gz DBDNCGWGJRDFEY-YPMHNXCESA-N 1 2 250.273 1.169 20 30 CDEDLO C=CCOCC(=O)N1CC[C@@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001095095512 912387508 /nfs/dbraw/zinc/38/75/08/912387508.db2.gz JGTVFXXLRPEFHR-CYBMUJFWSA-N 1 2 290.367 1.025 20 30 CDEDLO C=CCOC1CCC([NH2+][C@@H](CS)C(=O)OC)CC1 ZINC001173313072 912408919 /nfs/dbraw/zinc/40/89/19/912408919.db2.gz REFWLZJMOHCORE-MCIGGMRASA-N 1 2 273.398 1.561 20 30 CDEDLO COc1ncc([NH+]=C(NO)c2ccccc2N)cn1 ZINC001174035181 912970022 /nfs/dbraw/zinc/97/00/22/912970022.db2.gz OIZRFBAQFXBKNW-UHFFFAOYSA-N 1 2 259.269 1.125 20 30 CDEDLO C=CCOCC(=O)N1CCC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001095294617 913073405 /nfs/dbraw/zinc/07/34/05/913073405.db2.gz RWOJTXMYEJHRPG-ZDUSSCGKSA-N 1 2 290.367 1.391 20 30 CDEDLO C=CCC(C)(C)C(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001106129397 913119374 /nfs/dbraw/zinc/11/93/74/913119374.db2.gz ILEQEVMTSVQRBT-GFCCVEGCSA-N 1 2 292.383 1.276 20 30 CDEDLO C#Cc1cc(Nc2cccc(CNC(C)=O)c2)cc[nH+]1 ZINC001174367922 913126329 /nfs/dbraw/zinc/12/63/29/913126329.db2.gz RTNPBEJQRFOSCP-UHFFFAOYSA-N 1 2 265.316 1.865 20 30 CDEDLO Cc1[nH]c(NC(=O)CCc2[nH]cc[nH+]2)c(C#N)c1C ZINC001177993298 915115915 /nfs/dbraw/zinc/11/59/15/915115915.db2.gz KUFAODKJUFYRSM-UHFFFAOYSA-N 1 2 257.297 1.798 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2cccc(OC)n2)CC1 ZINC001175323708 913539561 /nfs/dbraw/zinc/53/95/61/913539561.db2.gz XYZRNPOZLYTFPS-UHFFFAOYSA-N 1 2 289.379 1.353 20 30 CDEDLO C[C@H](CCCCNCC#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001175503188 913641436 /nfs/dbraw/zinc/64/14/36/913641436.db2.gz MXJGACDMANZJLT-KGLIPLIRSA-N 1 2 291.399 1.622 20 30 CDEDLO N#Cc1ccc(C[NH+]2CC3(C2)C[C@H](F)CS3)cn1 ZINC001140545853 896718826 /nfs/dbraw/zinc/71/88/26/896718826.db2.gz NCIHIFWNDAKPLF-NSHDSACASA-N 1 2 263.341 1.983 20 30 CDEDLO C[C@H](CNC(=O)CCn1cc[nH+]c1)Nc1ccc(C#N)cn1 ZINC001098168095 898635205 /nfs/dbraw/zinc/63/52/05/898635205.db2.gz SXCBUWZETUHESN-GFCCVEGCSA-N 1 2 298.350 1.157 20 30 CDEDLO C[C@@H](CCCCNCC#N)NC(=O)CCCn1cc[nH+]c1 ZINC001176810995 914273423 /nfs/dbraw/zinc/27/34/23/914273423.db2.gz URCSACWNRUSKQN-AWEZNQCLSA-N 1 2 291.399 1.451 20 30 CDEDLO N=C(c1ccccc1N)N(O)C(=O)CCn1cc[nH+]c1 ZINC001176878582 914332965 /nfs/dbraw/zinc/33/29/65/914332965.db2.gz ZGEYTDRGYTUYKL-UHFFFAOYSA-N 1 2 273.296 1.099 20 30 CDEDLO C#CCCCCC(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001125938787 900091555 /nfs/dbraw/zinc/09/15/55/900091555.db2.gz KEIWCYKHAHUCGI-ZDUSSCGKSA-N 1 2 277.368 1.943 20 30 CDEDLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)C#CC(C)(C)C)C[C@@H]21 ZINC001177013227 914434843 /nfs/dbraw/zinc/43/48/43/914434843.db2.gz PWVYRLFLUQTKKU-KBPBESRZSA-N 1 2 278.396 1.358 20 30 CDEDLO CC[N@H+]1CCO[C@H]2CCN(C(=O)C#CC(C)(C)C)C[C@@H]21 ZINC001177013227 914434850 /nfs/dbraw/zinc/43/48/50/914434850.db2.gz PWVYRLFLUQTKKU-KBPBESRZSA-N 1 2 278.396 1.358 20 30 CDEDLO C#CCCCC(=O)NCC[NH2+][C@H](C)c1nc(C2CC2)no1 ZINC001126355765 902236327 /nfs/dbraw/zinc/23/63/27/902236327.db2.gz HKRRSSDZQKVGOI-LLVKDONJSA-N 1 2 290.367 1.517 20 30 CDEDLO CN(CC(=O)NC1=CC(=O)CCC1)c1cccc[nH+]1 ZINC001177414103 914670835 /nfs/dbraw/zinc/67/08/35/914670835.db2.gz RVONYEFHQKANPQ-UHFFFAOYSA-N 1 2 259.309 1.271 20 30 CDEDLO C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccccn1 ZINC001363800071 904797828 /nfs/dbraw/zinc/79/78/28/904797828.db2.gz NTYXHTHXPYLSND-UHFFFAOYSA-N 1 2 285.351 1.169 20 30 CDEDLO C[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccccn1 ZINC001363800071 904797834 /nfs/dbraw/zinc/79/78/34/904797834.db2.gz NTYXHTHXPYLSND-UHFFFAOYSA-N 1 2 285.351 1.169 20 30 CDEDLO Cc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C)C#N)C3)o1 ZINC001110401789 921164323 /nfs/dbraw/zinc/16/43/23/921164323.db2.gz NXNWJEZFGLTXGL-IMJCEVDSSA-N 1 2 288.351 1.364 20 30 CDEDLO Cc1ncc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C)C#N)C3)o1 ZINC001110401789 921164326 /nfs/dbraw/zinc/16/43/26/921164326.db2.gz NXNWJEZFGLTXGL-IMJCEVDSSA-N 1 2 288.351 1.364 20 30 CDEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)c2ccsc2)CC1 ZINC000714360187 906918755 /nfs/dbraw/zinc/91/87/55/906918755.db2.gz RLKGQFJCJKVGSC-UHFFFAOYSA-N 1 2 285.394 1.014 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCCCC[C@@H](NCC#N)C1 ZINC001088418389 907138007 /nfs/dbraw/zinc/13/80/07/907138007.db2.gz NYBIYIXAKVYLDY-CYBMUJFWSA-N 1 2 289.383 1.145 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccc(C(=O)OCC)cc1 ZINC001142603540 909560303 /nfs/dbraw/zinc/56/03/03/909560303.db2.gz MGJSLYLZCABSDD-UHFFFAOYSA-N 1 2 255.317 1.932 20 30 CDEDLO C#CC[C@H]([NH2+]C1CCC(C)(C(=O)OCC)CC1)C(=O)OC ZINC001171941239 911044294 /nfs/dbraw/zinc/04/42/94/911044294.db2.gz OHUTUZQUECNJFW-UYJPIKCFSA-N 1 2 295.379 1.653 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2occc2C)[C@@H](O)C1 ZINC001090078725 921644666 /nfs/dbraw/zinc/64/46/66/921644666.db2.gz MFKQBPWDNKKJPS-RYUDHWBXSA-N 1 2 298.770 1.506 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2occc2C)[C@@H](O)C1 ZINC001090078725 921644667 /nfs/dbraw/zinc/64/46/67/921644667.db2.gz MFKQBPWDNKKJPS-RYUDHWBXSA-N 1 2 298.770 1.506 20 30 CDEDLO O=C1C=C2C[N@H+]([C@@H]3CCN4C(=O)CC[C@@H]4C3)CC[C@H]2S1 ZINC001172173840 911426842 /nfs/dbraw/zinc/42/68/42/911426842.db2.gz UBDRSDIZTVARNG-JHJVBQTASA-N 1 2 292.404 1.414 20 30 CDEDLO O=C1C=C2C[N@@H+]([C@@H]3CCN4C(=O)CC[C@@H]4C3)CC[C@H]2S1 ZINC001172173840 911426851 /nfs/dbraw/zinc/42/68/51/911426851.db2.gz UBDRSDIZTVARNG-JHJVBQTASA-N 1 2 292.404 1.414 20 30 CDEDLO CC(=O)[C@H]1C[N@H+]([C@@H](C)Cc2ccc(C#N)cc2)CCO1 ZINC001172315872 911559214 /nfs/dbraw/zinc/55/92/14/911559214.db2.gz LSKWCDLMFGMAJZ-BLLLJJGKSA-N 1 2 272.348 1.779 20 30 CDEDLO CC(=O)[C@H]1C[N@@H+]([C@@H](C)Cc2ccc(C#N)cc2)CCO1 ZINC001172315872 911559227 /nfs/dbraw/zinc/55/92/27/911559227.db2.gz LSKWCDLMFGMAJZ-BLLLJJGKSA-N 1 2 272.348 1.779 20 30 CDEDLO C=CC[C@@H]([NH2+][C@H](C)CCC(=O)OC(C)C)C(=O)OC ZINC001172743719 911892305 /nfs/dbraw/zinc/89/23/05/911892305.db2.gz HGSOQCJNPCIUMD-VXGBXAGGSA-N 1 2 271.357 1.814 20 30 CDEDLO C=CCSCC(=O)N1CCc2[nH+]ccn2CC1 ZINC001180560023 916463209 /nfs/dbraw/zinc/46/32/09/916463209.db2.gz QIEJWIQHIKDYST-UHFFFAOYSA-N 1 2 251.355 1.187 20 30 CDEDLO C#Cc1ccc(NC(=O)[C@@H]2C[N@H+](C)CCO2)cc1F ZINC001180761006 916615668 /nfs/dbraw/zinc/61/56/68/916615668.db2.gz SJJJIIVROKZACQ-ZDUSSCGKSA-N 1 2 262.284 1.076 20 30 CDEDLO C#Cc1ccc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1F ZINC001180761006 916615678 /nfs/dbraw/zinc/61/56/78/916615678.db2.gz SJJJIIVROKZACQ-ZDUSSCGKSA-N 1 2 262.284 1.076 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cncs1 ZINC001485283379 916737310 /nfs/dbraw/zinc/73/73/10/916737310.db2.gz SFTRKSNCFQMBLE-SECBINFHSA-N 1 2 273.789 1.946 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cncs1 ZINC001485283379 916737323 /nfs/dbraw/zinc/73/73/23/916737323.db2.gz SFTRKSNCFQMBLE-SECBINFHSA-N 1 2 273.789 1.946 20 30 CDEDLO CN1CC[NH+](CCNc2ccc(CCCC#N)cn2)CC1 ZINC001250059419 917882450 /nfs/dbraw/zinc/88/24/50/917882450.db2.gz HNLHRXZMLDLEDF-UHFFFAOYSA-N 1 2 287.411 1.587 20 30 CDEDLO C=C(C)CN1CC2(C[NH+](CC(C)(C)OCC)C2)OCC1=O ZINC001273476724 918069633 /nfs/dbraw/zinc/06/96/33/918069633.db2.gz BRTNWIWGNNCPSU-UHFFFAOYSA-N 1 2 296.411 1.291 20 30 CDEDLO Cc1ncc(C#N)cc1NC(=O)[C@@H]1CC[N@H+]1C(C)C ZINC001182828989 918165244 /nfs/dbraw/zinc/16/52/44/918165244.db2.gz QAVSICPNNREZPH-ZDUSSCGKSA-N 1 2 258.325 1.683 20 30 CDEDLO Cc1ncc(C#N)cc1NC(=O)[C@@H]1CC[N@@H+]1C(C)C ZINC001182828989 918165250 /nfs/dbraw/zinc/16/52/50/918165250.db2.gz QAVSICPNNREZPH-ZDUSSCGKSA-N 1 2 258.325 1.683 20 30 CDEDLO C[NH+]1CC(NC(=O)C2(c3ccccc3C#N)CC2)C1 ZINC001183293318 918427368 /nfs/dbraw/zinc/42/73/68/918427368.db2.gz JZQYLDJLZLDJLB-UHFFFAOYSA-N 1 2 255.321 1.020 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@H]2O)C1 ZINC001077645841 918531336 /nfs/dbraw/zinc/53/13/36/918531336.db2.gz ZGRXKIHFDASRRQ-BLDJZWNYSA-N 1 2 284.787 1.257 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@H]2O)C1 ZINC001077645841 918531341 /nfs/dbraw/zinc/53/13/41/918531341.db2.gz ZGRXKIHFDASRRQ-BLDJZWNYSA-N 1 2 284.787 1.257 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccco2)C1 ZINC001107693852 918624126 /nfs/dbraw/zinc/62/41/26/918624126.db2.gz CCNYGHBUTQPTCW-CQSZACIVSA-N 1 2 264.325 1.286 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccco2)C1 ZINC001107693852 918624134 /nfs/dbraw/zinc/62/41/34/918624134.db2.gz CCNYGHBUTQPTCW-CQSZACIVSA-N 1 2 264.325 1.286 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H]2C=CCC2)C1 ZINC001107726972 918696003 /nfs/dbraw/zinc/69/60/03/918696003.db2.gz SJSMHNALSAOWQO-DOTOQJQBSA-N 1 2 290.407 1.573 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H]2C=CCC2)C1 ZINC001107726972 918696010 /nfs/dbraw/zinc/69/60/10/918696010.db2.gz SJSMHNALSAOWQO-DOTOQJQBSA-N 1 2 290.407 1.573 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccoc2)C1 ZINC001107736245 918711013 /nfs/dbraw/zinc/71/10/13/918711013.db2.gz SGOXHBLEUOESCO-AWEZNQCLSA-N 1 2 264.325 1.286 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccoc2)C1 ZINC001107736245 918711026 /nfs/dbraw/zinc/71/10/26/918711026.db2.gz SGOXHBLEUOESCO-AWEZNQCLSA-N 1 2 264.325 1.286 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)/C=C(\C)C2CC2)C1 ZINC001107775075 918767461 /nfs/dbraw/zinc/76/74/61/918767461.db2.gz OTBFCPWANKFHAC-QSOAKEGCSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)/C=C(\C)C2CC2)C1 ZINC001107775075 918767472 /nfs/dbraw/zinc/76/74/72/918767472.db2.gz OTBFCPWANKFHAC-QSOAKEGCSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)OCC)C1 ZINC001107786313 918777443 /nfs/dbraw/zinc/77/74/43/918777443.db2.gz VBFREPCCPJKNIR-ZFWWWQNUSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)OCC)C1 ZINC001107786313 918777451 /nfs/dbraw/zinc/77/74/51/918777451.db2.gz VBFREPCCPJKNIR-ZFWWWQNUSA-N 1 2 284.400 1.195 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)/C(C)=C\CC)C1 ZINC001107784428 918777968 /nfs/dbraw/zinc/77/79/68/918777968.db2.gz XIEHKWRVCOKMEU-WPMUKRGUSA-N 1 2 278.396 1.573 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)/C(C)=C\CC)C1 ZINC001107784428 918777981 /nfs/dbraw/zinc/77/79/81/918777981.db2.gz XIEHKWRVCOKMEU-WPMUKRGUSA-N 1 2 278.396 1.573 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2=COCCC2)C1 ZINC001107803605 918812294 /nfs/dbraw/zinc/81/22/94/918812294.db2.gz CWSCNARVNAVXRR-OAHLLOKOSA-N 1 2 280.368 1.074 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2=COCCC2)C1 ZINC001107803605 918812305 /nfs/dbraw/zinc/81/23/05/918812305.db2.gz CWSCNARVNAVXRR-OAHLLOKOSA-N 1 2 280.368 1.074 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(F)nc2)C1 ZINC001107821601 918829338 /nfs/dbraw/zinc/82/93/38/918829338.db2.gz RMERKRKTPTWPFM-HNNXBMFYSA-N 1 2 293.342 1.227 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(F)nc2)C1 ZINC001107821601 918829363 /nfs/dbraw/zinc/82/93/63/918829363.db2.gz RMERKRKTPTWPFM-HNNXBMFYSA-N 1 2 293.342 1.227 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CCC)C1 ZINC001107822717 918836254 /nfs/dbraw/zinc/83/62/54/918836254.db2.gz CMVCPSJVYXGVOM-GOEBONIOSA-N 1 2 280.412 1.653 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CCC)C1 ZINC001107822717 918836267 /nfs/dbraw/zinc/83/62/67/918836267.db2.gz CMVCPSJVYXGVOM-GOEBONIOSA-N 1 2 280.412 1.653 20 30 CDEDLO CC[C@@H](CC#N)[NH+]1CCC(NC(=O)C(F)(F)F)CC1 ZINC001255173602 936563574 /nfs/dbraw/zinc/56/35/74/936563574.db2.gz MPPAKKOPWRTGJT-JTQLQIEISA-N 1 2 277.290 1.822 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2ncccc2F)C1=O ZINC001272796364 919308750 /nfs/dbraw/zinc/30/87/50/919308750.db2.gz YWJPMNCTCBRXGI-INIZCTEOSA-N 1 2 289.354 1.974 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2ncccc2F)C1=O ZINC001272796364 919308762 /nfs/dbraw/zinc/30/87/62/919308762.db2.gz YWJPMNCTCBRXGI-INIZCTEOSA-N 1 2 289.354 1.974 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001128088422 919853340 /nfs/dbraw/zinc/85/33/40/919853340.db2.gz WZUBELMAIIYCHJ-UHFFFAOYSA-N 1 2 292.383 1.606 20 30 CDEDLO Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C)C#N)C3)on1 ZINC001110394462 920575596 /nfs/dbraw/zinc/57/55/96/920575596.db2.gz BTSKZSVBYKZFPC-FRJFDASCSA-N 1 2 288.351 1.364 20 30 CDEDLO Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C)C#N)C3)on1 ZINC001110394462 920575610 /nfs/dbraw/zinc/57/56/10/920575610.db2.gz BTSKZSVBYKZFPC-FRJFDASCSA-N 1 2 288.351 1.364 20 30 CDEDLO C[N@@H+]1CCN(C(=O)C2(C#N)CC2)[C@H](c2ccccc2)C1 ZINC000156017053 920866942 /nfs/dbraw/zinc/86/69/42/920866942.db2.gz YRTIPSWNVOMCCM-AWEZNQCLSA-N 1 2 269.348 1.805 20 30 CDEDLO C[N@H+]1CCN(C(=O)C2(C#N)CC2)[C@H](c2ccccc2)C1 ZINC000156017053 920866953 /nfs/dbraw/zinc/86/69/53/920866953.db2.gz YRTIPSWNVOMCCM-AWEZNQCLSA-N 1 2 269.348 1.805 20 30 CDEDLO C=C(CC(C)C)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC001528641042 920950844 /nfs/dbraw/zinc/95/08/44/920950844.db2.gz AEIDJDZTIFXVII-CQSZACIVSA-N 1 2 276.384 1.495 20 30 CDEDLO C#CCN1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140465434 936712629 /nfs/dbraw/zinc/71/26/29/936712629.db2.gz NFLCUSQRWBNUSJ-UHFFFAOYSA-N 1 2 264.756 1.796 20 30 CDEDLO N#Cc1ccc(Cl)c(C[N@@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC001140600862 936729538 /nfs/dbraw/zinc/72/95/38/936729538.db2.gz YFKOHWDOXSIACS-AWEZNQCLSA-N 1 2 291.782 1.728 20 30 CDEDLO N#Cc1ccc(Cl)c(C[N@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC001140600862 936729539 /nfs/dbraw/zinc/72/95/39/936729539.db2.gz YFKOHWDOXSIACS-AWEZNQCLSA-N 1 2 291.782 1.728 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(C)c(O)c(C)c2)CC1 ZINC001140659292 936736311 /nfs/dbraw/zinc/73/63/11/936736311.db2.gz ZEHNQUYCWHFVGR-UHFFFAOYSA-N 1 2 258.365 1.760 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cn(CC)cn2)C1 ZINC001033588648 922271775 /nfs/dbraw/zinc/27/17/75/922271775.db2.gz OAYRLKYKVRZLDT-LBPRGKRZSA-N 1 2 296.802 1.802 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cn(CC)cn2)C1 ZINC001033588648 922271787 /nfs/dbraw/zinc/27/17/87/922271787.db2.gz OAYRLKYKVRZLDT-LBPRGKRZSA-N 1 2 296.802 1.802 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cocc2C)C1 ZINC001108132629 922695655 /nfs/dbraw/zinc/69/56/55/922695655.db2.gz NXSFPKSTPBSBKD-HNNXBMFYSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cocc2C)C1 ZINC001108132629 922695660 /nfs/dbraw/zinc/69/56/60/922695660.db2.gz NXSFPKSTPBSBKD-HNNXBMFYSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCC#CC)C1 ZINC001108141781 922740149 /nfs/dbraw/zinc/74/01/49/922740149.db2.gz DELAERBSGVOTKH-INIZCTEOSA-N 1 2 278.396 1.573 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCC#CC)C1 ZINC001108141781 922740157 /nfs/dbraw/zinc/74/01/57/922740157.db2.gz DELAERBSGVOTKH-INIZCTEOSA-N 1 2 278.396 1.573 20 30 CDEDLO C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)Nc1ncccc1C#N ZINC001099405623 936788744 /nfs/dbraw/zinc/78/87/44/936788744.db2.gz QOCOKUQJUMMMIF-NSHDSACASA-N 1 2 298.350 1.226 20 30 CDEDLO CC(C)C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001494523686 923671608 /nfs/dbraw/zinc/67/16/08/923671608.db2.gz LPYWRBVFBHBLEX-UHFFFAOYSA-N 1 2 289.354 1.901 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2sc(C)cc2OC)C1 ZINC000923574436 923954704 /nfs/dbraw/zinc/95/47/04/923954704.db2.gz FZPQFNXMYMBXOW-LBPRGKRZSA-N 1 2 292.404 1.893 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2sc(C)cc2OC)C1 ZINC000923574436 923954707 /nfs/dbraw/zinc/95/47/07/923954707.db2.gz FZPQFNXMYMBXOW-LBPRGKRZSA-N 1 2 292.404 1.893 20 30 CDEDLO N#Cc1cncc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC001194107285 924062122 /nfs/dbraw/zinc/06/21/22/924062122.db2.gz AZNFKMUQWBAFOU-UHFFFAOYSA-N 1 2 281.319 1.696 20 30 CDEDLO N#Cc1cncc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC001194107285 924062134 /nfs/dbraw/zinc/06/21/34/924062134.db2.gz AZNFKMUQWBAFOU-UHFFFAOYSA-N 1 2 281.319 1.696 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C(F)F ZINC001079330510 924244063 /nfs/dbraw/zinc/24/40/63/924244063.db2.gz IUZJBIAPIQQAHR-LDYMZIIASA-N 1 2 299.346 1.821 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C(F)F ZINC001079330510 924244075 /nfs/dbraw/zinc/24/40/75/924244075.db2.gz IUZJBIAPIQQAHR-LDYMZIIASA-N 1 2 299.346 1.821 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)n2cncn2)C1 ZINC001079596338 924378271 /nfs/dbraw/zinc/37/82/71/924378271.db2.gz ZRKVTXDMKQCLCZ-ADEWGFFLSA-N 1 2 297.790 1.028 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)n2cncn2)C1 ZINC001079596338 924378280 /nfs/dbraw/zinc/37/82/80/924378280.db2.gz ZRKVTXDMKQCLCZ-ADEWGFFLSA-N 1 2 297.790 1.028 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001195333670 924577382 /nfs/dbraw/zinc/57/73/82/924577382.db2.gz LYWXRIRXWDCBKX-ADRPCIBZSA-N 1 2 272.776 1.112 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001195333670 924577391 /nfs/dbraw/zinc/57/73/91/924577391.db2.gz LYWXRIRXWDCBKX-ADRPCIBZSA-N 1 2 272.776 1.112 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CCC[N@H+](CC(=C)Cl)CC1 ZINC001195652823 924688645 /nfs/dbraw/zinc/68/86/45/924688645.db2.gz YRCHLECWFIJDHT-CQSZACIVSA-N 1 2 286.803 1.600 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CCC[N@@H+](CC(=C)Cl)CC1 ZINC001195652823 924688647 /nfs/dbraw/zinc/68/86/47/924688647.db2.gz YRCHLECWFIJDHT-CQSZACIVSA-N 1 2 286.803 1.600 20 30 CDEDLO CSc1nc(CN2CCc3c([nH+]cn3C)C2)ccc1C#N ZINC001141943613 936956412 /nfs/dbraw/zinc/95/64/12/936956412.db2.gz CAYZMPRFLBNGBG-UHFFFAOYSA-N 1 2 299.403 1.967 20 30 CDEDLO C=CCCCC(=O)N1CCC[N@@H+](Cc2ccnn2C)CC1 ZINC001196984759 925025986 /nfs/dbraw/zinc/02/59/86/925025986.db2.gz ONIQFBYPMOEWHM-UHFFFAOYSA-N 1 2 290.411 1.811 20 30 CDEDLO C=CCCCC(=O)N1CCC[N@H+](Cc2ccnn2C)CC1 ZINC001196984759 925025995 /nfs/dbraw/zinc/02/59/95/925025995.db2.gz ONIQFBYPMOEWHM-UHFFFAOYSA-N 1 2 290.411 1.811 20 30 CDEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3occc3C)[C@H]2C1 ZINC001083000860 925067952 /nfs/dbraw/zinc/06/79/52/925067952.db2.gz ICUQNAQMOHPWBT-QWHCGFSZSA-N 1 2 276.336 1.299 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3occc3C)[C@H]2C1 ZINC001083000860 925067961 /nfs/dbraw/zinc/06/79/61/925067961.db2.gz ICUQNAQMOHPWBT-QWHCGFSZSA-N 1 2 276.336 1.299 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3onc4c3CCCC4)[C@@H]2C1 ZINC001084518323 925275952 /nfs/dbraw/zinc/27/59/52/925275952.db2.gz VVGLRUKNLXCQFE-IUODEOHRSA-N 1 2 299.374 1.333 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3onc4c3CCCC4)[C@@H]2C1 ZINC001084518323 925275963 /nfs/dbraw/zinc/27/59/63/925275963.db2.gz VVGLRUKNLXCQFE-IUODEOHRSA-N 1 2 299.374 1.333 20 30 CDEDLO Cc1nc(NCCN(C)C(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001101565253 936989205 /nfs/dbraw/zinc/98/92/05/936989205.db2.gz FYMGEPFUIIQRQB-UHFFFAOYSA-N 1 2 284.323 1.169 20 30 CDEDLO Cc1nc(NCCN(C)C(=O)Cc2[nH]cc[nH+]2)ccc1C#N ZINC001101728578 937005816 /nfs/dbraw/zinc/00/58/16/937005816.db2.gz CCYNWCAXSCMZHI-UHFFFAOYSA-N 1 2 298.350 1.098 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1oc(C)nc1C ZINC001085531501 926120477 /nfs/dbraw/zinc/12/04/77/926120477.db2.gz UNCCQSPRYSOSQI-LBPRGKRZSA-N 1 2 261.325 1.071 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1oc(C)nc1C ZINC001085531501 926120486 /nfs/dbraw/zinc/12/04/86/926120486.db2.gz UNCCQSPRYSOSQI-LBPRGKRZSA-N 1 2 261.325 1.071 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nc(C(C)C)oc1C ZINC001085594402 926192628 /nfs/dbraw/zinc/19/26/28/926192628.db2.gz FYIYKTUEFNCUJS-CYBMUJFWSA-N 1 2 289.379 1.886 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nc(C(C)C)oc1C ZINC001085594402 926192629 /nfs/dbraw/zinc/19/26/29/926192629.db2.gz FYIYKTUEFNCUJS-CYBMUJFWSA-N 1 2 289.379 1.886 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(CC)ccn1 ZINC001085614654 926215593 /nfs/dbraw/zinc/21/55/93/926215593.db2.gz SMZPYLYLNVYSKN-HNNXBMFYSA-N 1 2 285.391 1.814 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(CC)ccn1 ZINC001085614654 926215599 /nfs/dbraw/zinc/21/55/99/926215599.db2.gz SMZPYLYLNVYSKN-HNNXBMFYSA-N 1 2 285.391 1.814 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C(F)F)nc1 ZINC001085633462 926239933 /nfs/dbraw/zinc/23/99/33/926239933.db2.gz SUHSEXDQRGGOCD-LBPRGKRZSA-N 1 2 293.317 1.799 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C(F)F)nc1 ZINC001085633462 926239939 /nfs/dbraw/zinc/23/99/39/926239939.db2.gz SUHSEXDQRGGOCD-LBPRGKRZSA-N 1 2 293.317 1.799 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2[nH]ccc2n1 ZINC001085720957 926324927 /nfs/dbraw/zinc/32/49/27/926324927.db2.gz JAILFMDWPQVPTG-GFCCVEGCSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2[nH]ccc2n1 ZINC001085720957 926324937 /nfs/dbraw/zinc/32/49/37/926324937.db2.gz JAILFMDWPQVPTG-GFCCVEGCSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(F)F)nn1C ZINC001085721079 926325566 /nfs/dbraw/zinc/32/55/66/926325566.db2.gz LSMUBLBCWFPYJE-JTQLQIEISA-N 1 2 296.321 1.137 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(F)F)nn1C ZINC001085721079 926325571 /nfs/dbraw/zinc/32/55/71/926325571.db2.gz LSMUBLBCWFPYJE-JTQLQIEISA-N 1 2 296.321 1.137 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)cc(C)nc1C ZINC001085735075 926338275 /nfs/dbraw/zinc/33/82/75/926338275.db2.gz XYEYOYQKBAHQBO-HNNXBMFYSA-N 1 2 285.391 1.786 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)cc(C)nc1C ZINC001085735075 926338281 /nfs/dbraw/zinc/33/82/81/926338281.db2.gz XYEYOYQKBAHQBO-HNNXBMFYSA-N 1 2 285.391 1.786 20 30 CDEDLO CC(C)[NH+]1CC2(C1)CN(Cc1cccc(C#N)c1)C(=O)CO2 ZINC001273916577 926431402 /nfs/dbraw/zinc/43/14/02/926431402.db2.gz YPVZRSWQXQSWQG-UHFFFAOYSA-N 1 2 299.374 1.380 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2nc(C)ccc2o1 ZINC001085938173 926523941 /nfs/dbraw/zinc/52/39/41/926523941.db2.gz ZLCOJLPTTOUEKO-ZDUSSCGKSA-N 1 2 297.358 1.916 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2nc(C)ccc2o1 ZINC001085938173 926523947 /nfs/dbraw/zinc/52/39/47/926523947.db2.gz ZLCOJLPTTOUEKO-ZDUSSCGKSA-N 1 2 297.358 1.916 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)n(C(C)C)n1 ZINC001086005527 926593082 /nfs/dbraw/zinc/59/30/82/926593082.db2.gz IDHFYNAOLDVAFB-AWEZNQCLSA-N 1 2 288.395 1.552 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)n(C(C)C)n1 ZINC001086005527 926593088 /nfs/dbraw/zinc/59/30/88/926593088.db2.gz IDHFYNAOLDVAFB-AWEZNQCLSA-N 1 2 288.395 1.552 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2[nH]c(=O)oc21 ZINC001086006652 926594518 /nfs/dbraw/zinc/59/45/18/926594518.db2.gz KSJTVWOVRNHQJK-LLVKDONJSA-N 1 2 299.330 1.313 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2[nH]c(=O)oc21 ZINC001086006652 926594525 /nfs/dbraw/zinc/59/45/25/926594525.db2.gz KSJTVWOVRNHQJK-LLVKDONJSA-N 1 2 299.330 1.313 20 30 CDEDLO C=CCOCC(=O)NC[C@@H](CC)Nc1cc[nH+]c(C)n1 ZINC001102990695 937107402 /nfs/dbraw/zinc/10/74/02/937107402.db2.gz UEATXYYQFHYBGG-GFCCVEGCSA-N 1 2 278.356 1.294 20 30 CDEDLO CC(=O)CC(C)=Nc1nc(Cl)nc2c1CC[NH2+]C2 ZINC001155888059 927182514 /nfs/dbraw/zinc/18/25/14/927182514.db2.gz VVWQREVAJSYKQP-ALCCZGGFSA-N 1 2 266.732 1.680 20 30 CDEDLO Cc1nc(NC[C@H]2CCCN2C(=O)C#CC(C)C)cc[nH+]1 ZINC001103803388 937156776 /nfs/dbraw/zinc/15/67/76/937156776.db2.gz PXLJUFNQFUXATR-CQSZACIVSA-N 1 2 286.379 1.847 20 30 CDEDLO C#CCCCC(=O)N1CCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001103805470 937157394 /nfs/dbraw/zinc/15/73/94/937157394.db2.gz LBCVAUBRZIPEAK-CQSZACIVSA-N 1 2 286.379 1.991 20 30 CDEDLO Cc1cc2ccccc2nc1N1CC[NH2+]C[C@@H]1C#N ZINC001156321150 928051259 /nfs/dbraw/zinc/05/12/59/928051259.db2.gz ROVFHZRYMXHQTP-ZDUSSCGKSA-N 1 2 252.321 1.845 20 30 CDEDLO C=C[C@@H](CO)Nc1cc(C2(C)OCCO2)cc[nH+]1 ZINC001169779362 928430524 /nfs/dbraw/zinc/43/05/24/928430524.db2.gz HEHJVOLTNXHLDG-NSHDSACASA-N 1 2 250.298 1.260 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)OC)C2 ZINC001109052368 928780537 /nfs/dbraw/zinc/78/05/37/928780537.db2.gz XCXYZRSDUQHMOJ-NDBYEHHHSA-N 1 2 286.803 1.885 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)OC)C2 ZINC001109052368 928780547 /nfs/dbraw/zinc/78/05/47/928780547.db2.gz XCXYZRSDUQHMOJ-NDBYEHHHSA-N 1 2 286.803 1.885 20 30 CDEDLO Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C)C#N)C3)ncn1 ZINC001109088965 928790673 /nfs/dbraw/zinc/79/06/73/928790673.db2.gz VVGRRDXVCBFOLB-PUPMMZHASA-N 1 2 299.378 1.166 20 30 CDEDLO Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C)C#N)C3)ncn1 ZINC001109088965 928790677 /nfs/dbraw/zinc/79/06/77/928790677.db2.gz VVGRRDXVCBFOLB-PUPMMZHASA-N 1 2 299.378 1.166 20 30 CDEDLO C=CCOCC(=O)N1CC[NH+](CCOCC2CCC2)CC1 ZINC001112708628 929342594 /nfs/dbraw/zinc/34/25/94/929342594.db2.gz QMXHYNHITFCFRV-UHFFFAOYSA-N 1 2 296.411 1.150 20 30 CDEDLO CC[N@H+](Cc1nc(C)c(C)o1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152449687 937363655 /nfs/dbraw/zinc/36/36/55/937363655.db2.gz HTAPFLJJPMWSGF-WDEREUQCSA-N 1 2 292.383 1.778 20 30 CDEDLO CC[N@@H+](Cc1nc(C)c(C)o1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152449687 937363657 /nfs/dbraw/zinc/36/36/57/937363657.db2.gz HTAPFLJJPMWSGF-WDEREUQCSA-N 1 2 292.383 1.778 20 30 CDEDLO CC[N@H+](Cc1nonc1C)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207200 937429311 /nfs/dbraw/zinc/42/93/11/937429311.db2.gz AESRJUINRPFRTN-GFCCVEGCSA-N 1 2 292.383 1.364 20 30 CDEDLO CC[N@@H+](Cc1nonc1C)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207200 937429312 /nfs/dbraw/zinc/42/93/12/937429312.db2.gz AESRJUINRPFRTN-GFCCVEGCSA-N 1 2 292.383 1.364 20 30 CDEDLO Cn1c(Cl)cnc1C[N@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886118329 930808557 /nfs/dbraw/zinc/80/85/57/930808557.db2.gz CDQKKOCJHWEBRP-NSHDSACASA-N 1 2 296.802 1.950 20 30 CDEDLO Cn1c(Cl)cnc1C[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886118329 930808563 /nfs/dbraw/zinc/80/85/63/930808563.db2.gz CDQKKOCJHWEBRP-NSHDSACASA-N 1 2 296.802 1.950 20 30 CDEDLO C=CCCn1cc(C(=O)OCCCn2cc[nH+]c2)nn1 ZINC000820971646 930994375 /nfs/dbraw/zinc/99/43/75/930994375.db2.gz XVYWEOAVXOQVNG-UHFFFAOYSA-N 1 2 275.312 1.298 20 30 CDEDLO C#Cc1cc(NC(=O)c2cccc3[nH+]ccn32)ccn1 ZINC001154518104 937552378 /nfs/dbraw/zinc/55/23/78/937552378.db2.gz TWBPTUCBWDJDFY-UHFFFAOYSA-N 1 2 262.272 1.385 20 30 CDEDLO C=CCn1cnn(C[N@H+]2CCC[C@@](C)(O)CC2)c1=S ZINC001325010285 932220663 /nfs/dbraw/zinc/22/06/63/932220663.db2.gz ABJWBCDGAKTJCT-CYBMUJFWSA-N 1 2 282.413 1.794 20 30 CDEDLO C=CCn1cnn(C[N@@H+]2CCC[C@@](C)(O)CC2)c1=S ZINC001325010285 932220670 /nfs/dbraw/zinc/22/06/70/932220670.db2.gz ABJWBCDGAKTJCT-CYBMUJFWSA-N 1 2 282.413 1.794 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC ZINC001110985471 933343998 /nfs/dbraw/zinc/34/39/98/933343998.db2.gz ZVMPEQMWDJLKMV-NFFDBFGFSA-N 1 2 293.411 1.056 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC ZINC001110985471 933344006 /nfs/dbraw/zinc/34/40/06/933344006.db2.gz ZVMPEQMWDJLKMV-NFFDBFGFSA-N 1 2 293.411 1.056 20 30 CDEDLO CC[N@H+](CCS(C)(=O)=O)Cc1ccc(CC#N)cc1 ZINC000688519078 934631092 /nfs/dbraw/zinc/63/10/92/934631092.db2.gz GWLGFTBEQYNNPU-UHFFFAOYSA-N 1 2 280.393 1.619 20 30 CDEDLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccc(CC#N)cc1 ZINC000688519078 934631094 /nfs/dbraw/zinc/63/10/94/934631094.db2.gz GWLGFTBEQYNNPU-UHFFFAOYSA-N 1 2 280.393 1.619 20 30 CDEDLO COC(=O)[C@H](CS)[NH2+][C@@H](C)CC(C)(C)SC ZINC001258321381 934779686 /nfs/dbraw/zinc/77/96/86/934779686.db2.gz KGBQANDSVASGKW-IUCAKERBSA-N 1 2 265.444 1.968 20 30 CDEDLO Cc1nc(NC[C@H]2C[C@H](NC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001114766921 934958786 /nfs/dbraw/zinc/95/87/86/934958786.db2.gz UJXLCNGUXHJALE-HDJSIYSDSA-N 1 2 284.363 1.505 20 30 CDEDLO C=C[C@H](O)CNc1ccc(N2CCC(O)CC2)[nH+]c1 ZINC001253569203 935089539 /nfs/dbraw/zinc/08/95/39/935089539.db2.gz UEKCKGIWMIWVGP-LBPRGKRZSA-N 1 2 263.341 1.002 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC001008997341 935417597 /nfs/dbraw/zinc/41/75/97/935417597.db2.gz WXVJOSXRBUKIMN-JSGCOSHPSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC001008997341 935417598 /nfs/dbraw/zinc/41/75/98/935417598.db2.gz WXVJOSXRBUKIMN-JSGCOSHPSA-N 1 2 286.803 1.746 20 30 CDEDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1c(F)cc(C#N)cc1F ZINC001276374250 935727516 /nfs/dbraw/zinc/72/75/16/935727516.db2.gz TUCBWOFCQXUKKK-AOOOYVTPSA-N 1 2 277.274 1.365 20 30 CDEDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1c(F)cc(C#N)cc1F ZINC001276374250 935727520 /nfs/dbraw/zinc/72/75/20/935727520.db2.gz TUCBWOFCQXUKKK-AOOOYVTPSA-N 1 2 277.274 1.365 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](CC)OCC)n2C)CC1 ZINC001121387365 937869483 /nfs/dbraw/zinc/86/94/83/937869483.db2.gz WAWKZSZMSOLBQJ-CYBMUJFWSA-N 1 2 291.399 1.058 20 30 CDEDLO N#Cc1cncc(CNC(=O)CCCn2cc[nH+]c2)c1 ZINC001156108120 938320619 /nfs/dbraw/zinc/32/06/19/938320619.db2.gz OJOMUFJUXFPUQM-UHFFFAOYSA-N 1 2 269.308 1.246 20 30 CDEDLO CCc1nc(C#N)c(C#N)nc1N(CC)CCn1cc[nH+]c1 ZINC001157467475 938497611 /nfs/dbraw/zinc/49/76/11/938497611.db2.gz VUEHENFXFXCVKF-UHFFFAOYSA-N 1 2 295.350 1.505 20 30 CDEDLO COc1cc(C#N)nc(N[C@@H]2CCC[N@@H+](C3COC3)C2)c1 ZINC001157583892 938515920 /nfs/dbraw/zinc/51/59/20/938515920.db2.gz WTYDHHUQQFUCEJ-LLVKDONJSA-N 1 2 288.351 1.237 20 30 CDEDLO COc1cc(C#N)nc(N[C@@H]2CCC[N@H+](C3COC3)C2)c1 ZINC001157583892 938515922 /nfs/dbraw/zinc/51/59/22/938515922.db2.gz WTYDHHUQQFUCEJ-LLVKDONJSA-N 1 2 288.351 1.237 20 30 CDEDLO Cc1cnc(N[C@@H]2CCC[C@H]2[NH+]2CCOCC2)c(C#N)n1 ZINC001160727216 938821264 /nfs/dbraw/zinc/82/12/64/938821264.db2.gz XRHJBNCVLFUUSQ-TZMCWYRMSA-N 1 2 287.367 1.322 20 30 CDEDLO COc1cc(NC2CN(c3cccc[nH+]3)C2)ncc1C#N ZINC001161318993 938888198 /nfs/dbraw/zinc/88/81/98/938888198.db2.gz FAGZCPQFQOUFTC-UHFFFAOYSA-N 1 2 281.319 1.658 20 30 CDEDLO C=C(C)CNc1ccc(OCC[NH+]2CCOCC2)nc1 ZINC001163381715 939259643 /nfs/dbraw/zinc/25/96/43/939259643.db2.gz ZWKMULDUMHMOHX-UHFFFAOYSA-N 1 2 277.368 1.781 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001164346138 939460315 /nfs/dbraw/zinc/46/03/15/939460315.db2.gz LNFHVXLSSSRRTI-GFCCVEGCSA-N 1 2 294.399 1.830 20 30 CDEDLO C#C[C@@H]1CCCN(c2ccc(Cn3cncn3)c[nH+]2)C1 ZINC001167008436 939670424 /nfs/dbraw/zinc/67/04/24/939670424.db2.gz XFJYFTXEYWAARV-CYBMUJFWSA-N 1 2 267.336 1.571 20 30 CDEDLO Nc1ccccc1C(NO)=[NH+]c1cnn([C@@H]2CCOC2)c1 ZINC001205205421 939835066 /nfs/dbraw/zinc/83/50/66/939835066.db2.gz OGXWUYVWMNTKMA-LLVKDONJSA-N 1 2 287.323 1.484 20 30 CDEDLO N#Cc1cccc(-c2noc([C@@]3([NH3+])CCOC3)n2)c1 ZINC001205227922 939839356 /nfs/dbraw/zinc/83/93/56/939839356.db2.gz VAQZIDCFIWJIRG-CYBMUJFWSA-N 1 2 256.265 1.183 20 30 CDEDLO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001207022187 940130516 /nfs/dbraw/zinc/13/05/16/940130516.db2.gz GQDCERFGOSLGJM-IWSPIJDZSA-N 1 2 268.254 1.509 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001207022187 940130517 /nfs/dbraw/zinc/13/05/17/940130517.db2.gz GQDCERFGOSLGJM-IWSPIJDZSA-N 1 2 268.254 1.509 20 30 CDEDLO CCCN(CCC#N)CC(C)(C)[NH+]1CCOCC1 ZINC001207304010 940177946 /nfs/dbraw/zinc/17/79/46/940177946.db2.gz HDFUUMWXNSJROZ-UHFFFAOYSA-N 1 2 253.390 1.723 20 30 CDEDLO C#CCCCC(=O)N1CCC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001207943963 940267195 /nfs/dbraw/zinc/26/71/95/940267195.db2.gz GXDZCKKXBXCTLH-ZDUSSCGKSA-N 1 2 290.367 1.262 20 30 CDEDLO C=CCN(CC[N@@H+]1CC[C@](F)(CO)C1)C(=O)OCC ZINC001209017199 940424332 /nfs/dbraw/zinc/42/43/32/940424332.db2.gz LUXREVRTPZQDEY-CYBMUJFWSA-N 1 2 274.336 1.037 20 30 CDEDLO C=CCN(CC[N@H+]1CC[C@](F)(CO)C1)C(=O)OCC ZINC001209017199 940424334 /nfs/dbraw/zinc/42/43/34/940424334.db2.gz LUXREVRTPZQDEY-CYBMUJFWSA-N 1 2 274.336 1.037 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CC)CCC2)[C@H](OC)C1 ZINC001213307905 940768619 /nfs/dbraw/zinc/76/86/19/940768619.db2.gz VOWWZGMOYYBTHJ-CHWSQXEVSA-N 1 2 264.369 1.015 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CC)CCC2)[C@H](OC)C1 ZINC001213307905 940768620 /nfs/dbraw/zinc/76/86/20/940768620.db2.gz VOWWZGMOYYBTHJ-CHWSQXEVSA-N 1 2 264.369 1.015 20 30 CDEDLO N#Cc1cnccc1Nc1ccc(N2CC[C@H](O)C2)[nH+]c1 ZINC001214009847 940792258 /nfs/dbraw/zinc/79/22/58/940792258.db2.gz NSLARMOBIIJFSK-ZDUSSCGKSA-N 1 2 281.319 1.085 20 30 CDEDLO COc1cc([NH+]=C(NO)c2ccccc2N)cnc1F ZINC001216423089 940938231 /nfs/dbraw/zinc/93/82/31/940938231.db2.gz AAIDBCXJCAYHQP-UHFFFAOYSA-N 1 2 276.271 1.869 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001221423740 941534697 /nfs/dbraw/zinc/53/46/97/941534697.db2.gz PUTJGVNBSORFGS-BFHYXJOUSA-N 1 2 284.375 1.470 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001221423740 941534699 /nfs/dbraw/zinc/53/46/99/941534699.db2.gz PUTJGVNBSORFGS-BFHYXJOUSA-N 1 2 284.375 1.470 20 30 CDEDLO C[N@@H+]1CCO[C@H](CO/C(=N\O)c2cc(F)ccc2F)C1 ZINC001223889208 941704842 /nfs/dbraw/zinc/70/48/42/941704842.db2.gz ADKPSQQKSCDHNA-VQZCRYCJSA-N 1 2 286.278 1.448 20 30 CDEDLO C[N@H+]1CCO[C@H](CO/C(=N\O)c2cc(F)ccc2F)C1 ZINC001223889208 941704845 /nfs/dbraw/zinc/70/48/45/941704845.db2.gz ADKPSQQKSCDHNA-VQZCRYCJSA-N 1 2 286.278 1.448 20 30 CDEDLO CN(C)C(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2c1ccccc1C#N ZINC001276953445 941727783 /nfs/dbraw/zinc/72/77/83/941727783.db2.gz LYJBKDLJHMXEKY-GASCZTMLSA-N 1 2 298.390 1.299 20 30 CDEDLO CN(C)C(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2c1ccccc1C#N ZINC001276953445 941727785 /nfs/dbraw/zinc/72/77/85/941727785.db2.gz LYJBKDLJHMXEKY-GASCZTMLSA-N 1 2 298.390 1.299 20 30 CDEDLO C=C(CO[C@@H]1C[C@@H](C(=O)OC)[N@@H+](C)C1)c1ccccc1 ZINC001224740179 941787575 /nfs/dbraw/zinc/78/75/75/941787575.db2.gz ZQIOHZSRPWTVRR-CABCVRRESA-N 1 2 275.348 1.962 20 30 CDEDLO C=C(CO[C@@H]1C[C@@H](C(=O)OC)[N@H+](C)C1)c1ccccc1 ZINC001224740179 941787577 /nfs/dbraw/zinc/78/75/77/941787577.db2.gz ZQIOHZSRPWTVRR-CABCVRRESA-N 1 2 275.348 1.962 20 30 CDEDLO O=C1C=C[C@@H](OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001224961336 941809935 /nfs/dbraw/zinc/80/99/35/941809935.db2.gz OVLZMBLVFFNTOL-SJORKVTESA-N 1 2 287.359 1.802 20 30 CDEDLO O=C1C=C[C@@H](OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001224961336 941809937 /nfs/dbraw/zinc/80/99/37/941809937.db2.gz OVLZMBLVFFNTOL-SJORKVTESA-N 1 2 287.359 1.802 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2cccc(/C=N/O)c2)C1 ZINC001226114830 941952534 /nfs/dbraw/zinc/95/25/34/941952534.db2.gz RGPIMKRNUBHLHT-JGWKKKPCSA-N 1 2 250.298 1.204 20 30 CDEDLO Cc1noc([C@H](C)[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)n1 ZINC001226647663 942041796 /nfs/dbraw/zinc/04/17/96/942041796.db2.gz CZAKMDJNBXAMAN-UWVGGRQHSA-N 1 2 291.355 1.179 20 30 CDEDLO COc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c(OC)c1 ZINC001226828255 942080329 /nfs/dbraw/zinc/08/03/29/942080329.db2.gz NKBPGJRESRRTFU-FDAWXEHDSA-N 1 2 291.347 1.695 20 30 CDEDLO COc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c(OC)c1 ZINC001226828255 942080335 /nfs/dbraw/zinc/08/03/35/942080335.db2.gz NKBPGJRESRRTFU-FDAWXEHDSA-N 1 2 291.347 1.695 20 30 CDEDLO C#CCCCC(=O)NC1CC[NH+](Cc2cc(C)on2)CC1 ZINC001227076807 942127581 /nfs/dbraw/zinc/12/75/81/942127581.db2.gz QRNSPJKAUQLGKM-UHFFFAOYSA-N 1 2 289.379 1.867 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001316600033 942410472 /nfs/dbraw/zinc/41/04/72/942410472.db2.gz GVHIHOUDVJRHLP-HNNXBMFYSA-N 1 2 292.423 1.771 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001316600033 942410476 /nfs/dbraw/zinc/41/04/76/942410476.db2.gz GVHIHOUDVJRHLP-HNNXBMFYSA-N 1 2 292.423 1.771 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncc(F)cc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229861405 942543105 /nfs/dbraw/zinc/54/31/05/942543105.db2.gz HQOYGBPYDKMSBZ-ZQLNZSQWSA-N 1 2 268.263 1.351 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncc(F)cc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229861405 942543108 /nfs/dbraw/zinc/54/31/08/942543108.db2.gz HQOYGBPYDKMSBZ-ZQLNZSQWSA-N 1 2 268.263 1.351 20 30 CDEDLO CCc1cncnc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001230031266 942574575 /nfs/dbraw/zinc/57/45/75/942574575.db2.gz VYSOBUAGQIGOLK-HALBRFILSA-N 1 2 261.325 1.030 20 30 CDEDLO CCc1cncnc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001230031266 942574581 /nfs/dbraw/zinc/57/45/81/942574581.db2.gz VYSOBUAGQIGOLK-HALBRFILSA-N 1 2 261.325 1.030 20 30 CDEDLO CCCSCC(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001230924775 942734926 /nfs/dbraw/zinc/73/49/26/942734926.db2.gz KNPDLFPYURVEST-CQSZACIVSA-N 1 2 298.452 1.312 20 30 CDEDLO CCCSCC(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001230924775 942734934 /nfs/dbraw/zinc/73/49/34/942734934.db2.gz KNPDLFPYURVEST-CQSZACIVSA-N 1 2 298.452 1.312 20 30 CDEDLO N#Cc1cccc(CCC[NH+]2CC3(C2)CC[C@@H](C(N)=O)O3)c1 ZINC001277589009 943059327 /nfs/dbraw/zinc/05/93/27/943059327.db2.gz USQKFZVEMFOYCK-HNNXBMFYSA-N 1 2 299.374 1.210 20 30 CDEDLO COc1ncnc(OC)c1C[NH+]1CCC(CC#N)CC1 ZINC001232514629 943312564 /nfs/dbraw/zinc/31/25/64/943312564.db2.gz AODADFZZGUJWLS-UHFFFAOYSA-N 1 2 276.340 1.619 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC001232673637 943354446 /nfs/dbraw/zinc/35/44/46/943354446.db2.gz KCXZJAZXOSAFKI-LBPRGKRZSA-N 1 2 286.253 1.763 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC001232673637 943354450 /nfs/dbraw/zinc/35/44/50/943354450.db2.gz KCXZJAZXOSAFKI-LBPRGKRZSA-N 1 2 286.253 1.763 20 30 CDEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CNC(=O)C3)CC2)c1 ZINC001232673814 943354473 /nfs/dbraw/zinc/35/44/73/943354473.db2.gz NUQXGCQFCKYUCR-UHFFFAOYSA-N 1 2 285.347 1.366 20 30 CDEDLO N#Cc1ccc(O)c(C[NH+]2CCC(N3CC(F)C3)CC2)c1 ZINC001232678490 943358205 /nfs/dbraw/zinc/35/82/05/943358205.db2.gz HGEOFQCSTCVQMO-UHFFFAOYSA-N 1 2 289.354 1.882 20 30 CDEDLO N#Cc1ccc(F)cc1C[NH+]1CCC2(CCC(=O)N2)CC1 ZINC001232892963 943427482 /nfs/dbraw/zinc/42/74/82/943427482.db2.gz CNXXJQLCQJXCTQ-UHFFFAOYSA-N 1 2 287.338 1.942 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C)cc2C#N)CCCO1 ZINC001232968095 943447993 /nfs/dbraw/zinc/44/79/93/943447993.db2.gz DSKPPYRLIKKXLN-HNNXBMFYSA-N 1 2 288.347 1.631 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C)cc2C#N)CCCO1 ZINC001232968095 943447997 /nfs/dbraw/zinc/44/79/97/943447997.db2.gz DSKPPYRLIKKXLN-HNNXBMFYSA-N 1 2 288.347 1.631 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2cnc(C)c(C)c2)CC1 ZINC001233165155 943503251 /nfs/dbraw/zinc/50/32/51/943503251.db2.gz URKBJRASXBFXOG-UHFFFAOYSA-N 1 2 287.363 1.977 20 30 CDEDLO N#Cc1ccc(CN2CC[NH+](C3CC3)CC2)c(O)c1 ZINC001233383676 943569714 /nfs/dbraw/zinc/56/97/14/943569714.db2.gz QOCSPUPXMJNUOX-UHFFFAOYSA-N 1 2 257.337 1.544 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(C3CC3)CC2)c(O)c1 ZINC001233383676 943569717 /nfs/dbraw/zinc/56/97/17/943569717.db2.gz QOCSPUPXMJNUOX-UHFFFAOYSA-N 1 2 257.337 1.544 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1C/C=C/Cl ZINC001233935151 943693634 /nfs/dbraw/zinc/69/36/34/943693634.db2.gz AWZCPXJXNOLTFB-COWJPUMTSA-N 1 2 286.803 1.599 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1CC[N@H+]1C/C=C/Cl ZINC001233935151 943693637 /nfs/dbraw/zinc/69/36/37/943693637.db2.gz AWZCPXJXNOLTFB-COWJPUMTSA-N 1 2 286.803 1.599 20 30 CDEDLO CN(C[C@H]1CC[N@@H+]1Cc1cccnc1)C(=O)C#CC1CC1 ZINC001234178700 943766836 /nfs/dbraw/zinc/76/68/36/943766836.db2.gz NLSPWNNOZUJQRP-MRXNPFEDSA-N 1 2 283.375 1.528 20 30 CDEDLO CN(C[C@H]1CC[N@H+]1Cc1cccnc1)C(=O)C#CC1CC1 ZINC001234178700 943766839 /nfs/dbraw/zinc/76/68/39/943766839.db2.gz NLSPWNNOZUJQRP-MRXNPFEDSA-N 1 2 283.375 1.528 20 30 CDEDLO COc1cc(C[N@@H+]2CC[C@H](C#N)C2)c(O)c(OC)c1 ZINC001237678505 944923187 /nfs/dbraw/zinc/92/31/87/944923187.db2.gz OVDKSZASQKTJEZ-SNVBAGLBSA-N 1 2 262.309 1.755 20 30 CDEDLO COc1cc(C[N@H+]2CC[C@H](C#N)C2)c(O)c(OC)c1 ZINC001237678505 944923192 /nfs/dbraw/zinc/92/31/92/944923192.db2.gz OVDKSZASQKTJEZ-SNVBAGLBSA-N 1 2 262.309 1.755 20 30 CDEDLO C=CCS(=O)(=O)N1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001259927185 945710573 /nfs/dbraw/zinc/71/05/73/945710573.db2.gz SIVBFKDLOHQQRM-UHFFFAOYSA-N 1 2 294.420 1.628 20 30 CDEDLO CC[C@H](C(=O)NC1=NO[C@H](C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001362431505 971264893 /nfs/dbraw/zinc/26/48/93/971264893.db2.gz WVDZPKIZHGRLPL-IJLUTSLNSA-N 1 2 283.372 1.114 20 30 CDEDLO CC[C@H](C(=O)NC1=NO[C@H](C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC001362431505 971264898 /nfs/dbraw/zinc/26/48/98/971264898.db2.gz WVDZPKIZHGRLPL-IJLUTSLNSA-N 1 2 283.372 1.114 20 30 CDEDLO CN1CCOc2c1cn[nH+]c2-c1ccc(OCC#N)cc1 ZINC001243590549 947151265 /nfs/dbraw/zinc/15/12/65/947151265.db2.gz FTBCCEVZLTXWKN-UHFFFAOYSA-N 1 2 282.303 1.875 20 30 CDEDLO COC(=O)[C@H]([NH3+])c1ccc(-c2ccncc2C#N)cc1 ZINC001244336355 947367031 /nfs/dbraw/zinc/36/70/31/947367031.db2.gz XAFVVSUPRFTJGB-CQSZACIVSA-N 1 2 267.288 1.793 20 30 CDEDLO C=C[C@@H]1C[C@@]1([NH2+]C1CCSCC1)C(=O)OCC ZINC001255081902 947719741 /nfs/dbraw/zinc/71/97/41/947719741.db2.gz CKDSYFHGLURFME-MFKMUULPSA-N 1 2 255.383 1.979 20 30 CDEDLO N#Cc1cc(Cl)c(-c2noc([C@@H]([NH3+])CO)n2)cc1Cl ZINC001247608044 948676772 /nfs/dbraw/zinc/67/67/72/948676772.db2.gz GHPWBOOLSPAJMF-VIFPVBQESA-N 1 2 299.117 1.907 20 30 CDEDLO C#CC[C@H]([NH2+]C1CCC(CC(=O)OCC)CC1)C(=O)OC ZINC001258025140 948689224 /nfs/dbraw/zinc/68/92/24/948689224.db2.gz LUUSOSVNBWJNSK-RUXDESIVSA-N 1 2 295.379 1.653 20 30 CDEDLO C=CCCCNC(=S)NCc1c[nH+]cn1CCF ZINC001247790596 948775635 /nfs/dbraw/zinc/77/56/35/948775635.db2.gz WTEQWOPUSJXBRT-UHFFFAOYSA-N 1 2 270.377 1.783 20 30 CDEDLO CC(=O)N1CCC2(C[NH+](Cc3cccc(C#N)c3F)C2)C1 ZINC001249678925 949749852 /nfs/dbraw/zinc/74/98/52/949749852.db2.gz MUVNGHQDPYOJSE-UHFFFAOYSA-N 1 2 287.338 1.752 20 30 CDEDLO C=CCOC[C@H](O)C[N@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC001252473435 951329383 /nfs/dbraw/zinc/32/93/83/951329383.db2.gz KWXUTHIFFOBDDS-OAHLLOKOSA-N 1 2 291.347 1.352 20 30 CDEDLO C=CCOC[C@H](O)C[N@@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC001252473435 951329395 /nfs/dbraw/zinc/32/93/95/951329395.db2.gz KWXUTHIFFOBDDS-OAHLLOKOSA-N 1 2 291.347 1.352 20 30 CDEDLO C=C[C@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H](F)C1 ZINC001253574533 951960950 /nfs/dbraw/zinc/96/09/50/951960950.db2.gz ZQPVDSPVPBEYAK-NEPJUHHUSA-N 1 2 288.363 1.424 20 30 CDEDLO C=C[C@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H](F)C1 ZINC001253574533 951960959 /nfs/dbraw/zinc/96/09/59/951960959.db2.gz ZQPVDSPVPBEYAK-NEPJUHHUSA-N 1 2 288.363 1.424 20 30 CDEDLO c1cn2c(cccc2-c2cn(CC[C@H]3CO3)nn2)[nH+]1 ZINC001254073923 952184457 /nfs/dbraw/zinc/18/44/57/952184457.db2.gz LMRCJPIJCPZCFX-JTQLQIEISA-N 1 2 255.281 1.382 20 30 CDEDLO COC(=O)c1ccc(NCCn2cc[nH+]c2)c(C#N)n1 ZINC001363126487 971908388 /nfs/dbraw/zinc/90/83/88/971908388.db2.gz LMDOKNBOTKAGSZ-UHFFFAOYSA-N 1 2 271.280 1.048 20 30 CDEDLO C#CC[N@H+](CC1CC1)[C@H](C(N)=O)c1ccc(F)cc1 ZINC001325182515 953762111 /nfs/dbraw/zinc/76/21/11/953762111.db2.gz USMIEXYZMOLZHP-AWEZNQCLSA-N 1 2 260.312 1.697 20 30 CDEDLO C#CC[N@@H+](CC1CC1)[C@H](C(N)=O)c1ccc(F)cc1 ZINC001325182515 953762115 /nfs/dbraw/zinc/76/21/15/953762115.db2.gz USMIEXYZMOLZHP-AWEZNQCLSA-N 1 2 260.312 1.697 20 30 CDEDLO C#CCNC(=O)C[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC001326465374 954393686 /nfs/dbraw/zinc/39/36/86/954393686.db2.gz JPGIFPBENAXTGC-UHFFFAOYSA-N 1 2 252.264 1.146 20 30 CDEDLO C#CCNC(=O)C[N@H+](C)Cc1cc(F)cc(F)c1 ZINC001326465374 954393699 /nfs/dbraw/zinc/39/36/99/954393699.db2.gz JPGIFPBENAXTGC-UHFFFAOYSA-N 1 2 252.264 1.146 20 30 CDEDLO C#CCN(CC1CC1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001328307757 955258030 /nfs/dbraw/zinc/25/80/30/955258030.db2.gz CJSAERIRCJUCLZ-CYBMUJFWSA-N 1 2 257.337 1.317 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CCc2nccn2C1 ZINC001492310206 955792395 /nfs/dbraw/zinc/79/23/95/955792395.db2.gz FWZRTOHGFKMXST-GFCCVEGCSA-N 1 2 296.802 1.246 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CCc2nccn2C1 ZINC001492310206 955792401 /nfs/dbraw/zinc/79/24/01/955792401.db2.gz FWZRTOHGFKMXST-GFCCVEGCSA-N 1 2 296.802 1.246 20 30 CDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001303974454 956138245 /nfs/dbraw/zinc/13/82/45/956138245.db2.gz FTNSJAZIHXABPG-LBPRGKRZSA-N 1 2 278.356 1.059 20 30 CDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001303974454 956138250 /nfs/dbraw/zinc/13/82/50/956138250.db2.gz FTNSJAZIHXABPG-LBPRGKRZSA-N 1 2 278.356 1.059 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1cnn(C)c1 ZINC001422916844 956446042 /nfs/dbraw/zinc/44/60/42/956446042.db2.gz LAMRSQKXUSMYBJ-GFCCVEGCSA-N 1 2 298.818 1.542 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCc1cnn(C)c1 ZINC001422916844 956446049 /nfs/dbraw/zinc/44/60/49/956446049.db2.gz LAMRSQKXUSMYBJ-GFCCVEGCSA-N 1 2 298.818 1.542 20 30 CDEDLO C#CC1(O)C[NH+](C[C@@H](C)COCc2ccccc2)C1 ZINC001308137787 956475728 /nfs/dbraw/zinc/47/57/28/956475728.db2.gz SKSPPHSAELYIHE-CQSZACIVSA-N 1 2 259.349 1.519 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)COc2cccnc2)C1 ZINC001365990845 956491925 /nfs/dbraw/zinc/49/19/25/956491925.db2.gz HVUTVRUROOENPL-GFCCVEGCSA-N 1 2 295.770 1.403 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)COc2cccnc2)C1 ZINC001365990845 956491926 /nfs/dbraw/zinc/49/19/26/956491926.db2.gz HVUTVRUROOENPL-GFCCVEGCSA-N 1 2 295.770 1.403 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1c(C)cc(=O)oc1C ZINC001366548680 956948044 /nfs/dbraw/zinc/94/80/44/956948044.db2.gz WECPBTDSECKOON-UHFFFAOYSA-N 1 2 298.770 1.671 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1c(C)cc(=O)oc1C ZINC001366548680 956948066 /nfs/dbraw/zinc/94/80/66/956948066.db2.gz WECPBTDSECKOON-UHFFFAOYSA-N 1 2 298.770 1.671 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CC2CCOCC2)C1 ZINC001366963707 957304739 /nfs/dbraw/zinc/30/47/39/957304739.db2.gz RHBJZJVONJXSNH-UHFFFAOYSA-N 1 2 286.803 1.604 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(F)cc(OC)c1 ZINC001331922120 957335959 /nfs/dbraw/zinc/33/59/59/957335959.db2.gz FYUXIDDJANAYSZ-AWEZNQCLSA-N 1 2 276.311 1.870 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(F)cc(OC)c1 ZINC001331922120 957335970 /nfs/dbraw/zinc/33/59/70/957335970.db2.gz FYUXIDDJANAYSZ-AWEZNQCLSA-N 1 2 276.311 1.870 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCc1ccon1 ZINC001367817660 958394139 /nfs/dbraw/zinc/39/41/39/958394139.db2.gz JFQHVDRQQSGAPU-NSHDSACASA-N 1 2 285.775 1.796 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCc1ccon1 ZINC001367817660 958394156 /nfs/dbraw/zinc/39/41/56/958394156.db2.gz JFQHVDRQQSGAPU-NSHDSACASA-N 1 2 285.775 1.796 20 30 CDEDLO C#CCN(C)c1nnc(C[NH+]2CCCCC2)n1CC=C ZINC001338795356 961999529 /nfs/dbraw/zinc/99/95/29/961999529.db2.gz LFQAXCLCJLCAJV-UHFFFAOYSA-N 1 2 273.384 1.519 20 30 CDEDLO C=C(Cl)CN1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001436730346 962368860 /nfs/dbraw/zinc/36/88/60/962368860.db2.gz OATXRLVISZQDFK-GFCCVEGCSA-N 1 2 282.775 1.216 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001346768773 965246183 /nfs/dbraw/zinc/24/61/83/965246183.db2.gz ZPIHWNZPRVEMCF-RBSFLKMASA-N 1 2 294.443 1.371 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001346768773 965246195 /nfs/dbraw/zinc/24/61/95/965246195.db2.gz ZPIHWNZPRVEMCF-RBSFLKMASA-N 1 2 294.443 1.371 20 30 CDEDLO COCC#CC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001347753212 965685059 /nfs/dbraw/zinc/68/50/59/965685059.db2.gz YIMIXXFLSLXIOZ-ZDUSSCGKSA-N 1 2 292.404 1.603 20 30 CDEDLO C=CCN(CC=C)c1nnc(C[NH+]2CCCCC2)n1C ZINC001355661349 969239861 /nfs/dbraw/zinc/23/98/61/969239861.db2.gz AKEHBKXDCCVTPF-UHFFFAOYSA-N 1 2 275.400 1.979 20 30 CDEDLO CC(C)NC(=O)[C@@H](C#N)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001356275549 969367297 /nfs/dbraw/zinc/36/72/97/969367297.db2.gz NGUXHMLTYWTZJK-RYUDHWBXSA-N 1 2 265.357 1.093 20 30 CDEDLO CC(C)NC(=O)[C@@H](C#N)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001356275549 969367299 /nfs/dbraw/zinc/36/72/99/969367299.db2.gz NGUXHMLTYWTZJK-RYUDHWBXSA-N 1 2 265.357 1.093 20 30 CDEDLO N#C[C@@H]1CC[C@@H]([NH2+]Cc2nc(C(F)(F)F)n[nH]2)C1 ZINC001462688523 969710500 /nfs/dbraw/zinc/71/05/00/969710500.db2.gz JOCUMPBXAPTNAL-RNFRBKRXSA-N 1 2 259.235 1.605 20 30 CDEDLO COCC#CC(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001358483117 969744683 /nfs/dbraw/zinc/74/46/83/969744683.db2.gz CLAVWRKQRUSYEJ-CQSZACIVSA-N 1 2 292.766 1.463 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1cnn(C)c1C ZINC001498306997 973822667 /nfs/dbraw/zinc/82/26/67/973822667.db2.gz SORJRVROIFJLAZ-NSHDSACASA-N 1 2 298.818 1.460 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1cnn(C)c1C ZINC001498306997 973822675 /nfs/dbraw/zinc/82/26/75/973822675.db2.gz SORJRVROIFJLAZ-NSHDSACASA-N 1 2 298.818 1.460 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCc1ccn(C)n1 ZINC001505929110 975047450 /nfs/dbraw/zinc/04/74/50/975047450.db2.gz UMPGRAPRZQMJOE-LBPRGKRZSA-N 1 2 298.818 1.542 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCc1ccn(C)n1 ZINC001505929110 975047457 /nfs/dbraw/zinc/04/74/57/975047457.db2.gz UMPGRAPRZQMJOE-LBPRGKRZSA-N 1 2 298.818 1.542 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](CC(C)C)OC)C1 ZINC001377991062 975197607 /nfs/dbraw/zinc/19/76/07/975197607.db2.gz BKWSARLWWRAIGG-ZDUSSCGKSA-N 1 2 288.819 1.848 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2(COC)CC2)C1 ZINC001378160711 975265039 /nfs/dbraw/zinc/26/50/39/975265039.db2.gz SIODQHAFIJZVOR-LBPRGKRZSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2(COC)CC2)C1 ZINC001378160711 975265043 /nfs/dbraw/zinc/26/50/43/975265043.db2.gz SIODQHAFIJZVOR-LBPRGKRZSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cn2cccn2)C1 ZINC001378486072 975362965 /nfs/dbraw/zinc/36/29/65/975362965.db2.gz YIFPLOFIWGULSX-NSHDSACASA-N 1 2 282.775 1.072 20 30 CDEDLO C=C(Cl)CN1CC[C@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001397009300 975435078 /nfs/dbraw/zinc/43/50/78/975435078.db2.gz FMSIBIOXWIWFOH-LBPRGKRZSA-N 1 2 282.775 1.237 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C1(COC)CCC1 ZINC001401379854 975631374 /nfs/dbraw/zinc/63/13/74/975631374.db2.gz FFBZGDRSNOKHRK-UHFFFAOYSA-N 1 2 288.819 1.946 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C1(COC)CCC1 ZINC001401379854 975631381 /nfs/dbraw/zinc/63/13/81/975631381.db2.gz FFBZGDRSNOKHRK-UHFFFAOYSA-N 1 2 288.819 1.946 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)CC[N@H+](C)Cc1cc(C2CC2)no1 ZINC001406081524 976011589 /nfs/dbraw/zinc/01/15/89/976011589.db2.gz SBNMCPYXSWJYGB-NSHDSACASA-N 1 2 290.367 1.602 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)CC[N@@H+](C)Cc1cc(C2CC2)no1 ZINC001406081524 976011600 /nfs/dbraw/zinc/01/16/00/976011600.db2.gz SBNMCPYXSWJYGB-NSHDSACASA-N 1 2 290.367 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CCCO1 ZINC001492909857 976241527 /nfs/dbraw/zinc/24/15/27/976241527.db2.gz DIAMNPSAMPFOCS-NSHDSACASA-N 1 2 260.765 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CCCO1 ZINC001492909857 976241533 /nfs/dbraw/zinc/24/15/33/976241533.db2.gz DIAMNPSAMPFOCS-NSHDSACASA-N 1 2 260.765 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1ncccn1 ZINC001406680346 976356778 /nfs/dbraw/zinc/35/67/78/976356778.db2.gz XWHYLCGWJVVKRL-GFCCVEGCSA-N 1 2 296.802 1.598 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCc1ncccn1 ZINC001406680346 976356782 /nfs/dbraw/zinc/35/67/82/976356782.db2.gz XWHYLCGWJVVKRL-GFCCVEGCSA-N 1 2 296.802 1.598 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc[nH]c(=O)c1 ZINC001390905766 976599868 /nfs/dbraw/zinc/59/98/68/976599868.db2.gz LXXQDUXRPUQRFY-UHFFFAOYSA-N 1 2 283.759 1.591 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc[nH]c(=O)c1 ZINC001390905766 976599877 /nfs/dbraw/zinc/59/98/77/976599877.db2.gz LXXQDUXRPUQRFY-UHFFFAOYSA-N 1 2 283.759 1.591 20 30 CDEDLO C[C@@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)CN1CC#N ZINC001132541186 1163354102 /nfs/dbraw/zinc/35/41/02/1163354102.db2.gz BFYVQIRLFVUQDM-KGLIPLIRSA-N 1 2 289.383 1.156 20 30 CDEDLO C=C1CCC(C(=O)NCC[NH2+][C@H](C)c2nnc(C)o2)CC1 ZINC001133365590 1163656790 /nfs/dbraw/zinc/65/67/90/1163656790.db2.gz XWFMAOIAQQQQNC-LLVKDONJSA-N 1 2 292.383 1.891 20 30 CDEDLO C=C(C)c1cccc(NC(=O)[C@H](C)N2CC[NH2+]CC2=O)c1 ZINC001574850333 1171025955 /nfs/dbraw/zinc/02/59/55/1171025955.db2.gz XFSAPALCRMQAGY-LBPRGKRZSA-N 1 2 287.363 1.479 20 30 CDEDLO N#Cc1cc(N2CCC[C@H](n3cc[nH+]c3)C2)ccn1 ZINC000587866727 342487054 /nfs/dbraw/zinc/48/70/54/342487054.db2.gz RWGVRQAMKDMTPI-AWEZNQCLSA-N 1 2 253.309 1.991 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC1(CC#N)CC1)C1CC1 ZINC000588189616 342494018 /nfs/dbraw/zinc/49/40/18/342494018.db2.gz VBNNYBBNMAYWGU-GFCCVEGCSA-N 1 2 287.367 1.864 20 30 CDEDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000588213893 342494263 /nfs/dbraw/zinc/49/42/63/342494263.db2.gz YDQPDOCDNJZFQK-HNNXBMFYSA-N 1 2 288.347 1.631 20 30 CDEDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000588213893 342494264 /nfs/dbraw/zinc/49/42/64/342494264.db2.gz YDQPDOCDNJZFQK-HNNXBMFYSA-N 1 2 288.347 1.631 20 30 CDEDLO Cc1nsc(N2CC[NH+](Cc3cn[nH]c3)CC2)c1C#N ZINC000589520679 342508408 /nfs/dbraw/zinc/50/84/08/342508408.db2.gz PUICHNNLAWJKSE-UHFFFAOYSA-N 1 2 288.380 1.369 20 30 CDEDLO CCC(CC)C(=O)N1CC[NH+](CCOCCC#N)CC1 ZINC000590153209 342523557 /nfs/dbraw/zinc/52/35/57/342523557.db2.gz OGXVZYCYPLMXFT-UHFFFAOYSA-N 1 2 281.400 1.497 20 30 CDEDLO C[C@H]1C[C@]1(C#N)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000448611612 361774277 /nfs/dbraw/zinc/77/42/77/361774277.db2.gz FFGFFIKXQJPQDE-XJKSGUPXSA-N 1 2 284.363 1.276 20 30 CDEDLO CN(Cc1cccc(C#N)c1)c1nc[nH+]c2c1OCCN2 ZINC000590572690 342577079 /nfs/dbraw/zinc/57/70/79/342577079.db2.gz MQBDVTUJBGHUCU-UHFFFAOYSA-N 1 2 281.319 1.789 20 30 CDEDLO CN(Cc1cccc(C#N)c1)c1[nH+]cnc2c1OCCN2 ZINC000590572690 342577080 /nfs/dbraw/zinc/57/70/80/342577080.db2.gz MQBDVTUJBGHUCU-UHFFFAOYSA-N 1 2 281.319 1.789 20 30 CDEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CCc2c[nH]nn2)CC1 ZINC000590603439 342577827 /nfs/dbraw/zinc/57/78/27/342577827.db2.gz MOXFJIZTHYUGAG-MRXNPFEDSA-N 1 2 296.378 1.230 20 30 CDEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000590603439 342577828 /nfs/dbraw/zinc/57/78/28/342577828.db2.gz MOXFJIZTHYUGAG-MRXNPFEDSA-N 1 2 296.378 1.230 20 30 CDEDLO N#Cc1ccc(F)c(CN2CCn3c[nH+]cc3C2)c1 ZINC000590598978 342579650 /nfs/dbraw/zinc/57/96/50/342579650.db2.gz AURGXQNOWKIBAC-UHFFFAOYSA-N 1 2 256.284 1.910 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC3CC3)CC2)cc1 ZINC000026518556 342055642 /nfs/dbraw/zinc/05/56/42/342055642.db2.gz QLXPDAGJAXRTFD-UHFFFAOYSA-N 1 2 284.363 1.548 20 30 CDEDLO C#CCNC(=O)CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000214951776 342057701 /nfs/dbraw/zinc/05/77/01/342057701.db2.gz SHIFHQXVVJTVII-TWGQIWQCSA-N 1 2 297.402 1.067 20 30 CDEDLO C#CCNC(=O)C[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000214951776 342057702 /nfs/dbraw/zinc/05/77/02/342057702.db2.gz SHIFHQXVVJTVII-TWGQIWQCSA-N 1 2 297.402 1.067 20 30 CDEDLO C=CCCCC[N@H+]1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000590714166 342585565 /nfs/dbraw/zinc/58/55/65/342585565.db2.gz JMPDCCGCEYQHHL-STQMWFEESA-N 1 2 283.368 1.769 20 30 CDEDLO C=CCCCC[N@@H+]1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000590714166 342585566 /nfs/dbraw/zinc/58/55/66/342585566.db2.gz JMPDCCGCEYQHHL-STQMWFEESA-N 1 2 283.368 1.769 20 30 CDEDLO Cc1ccc[nH+]c1CCCNc1ccc(C#N)nn1 ZINC000590715726 342585668 /nfs/dbraw/zinc/58/56/68/342585668.db2.gz INEYYNYTGURJJG-UHFFFAOYSA-N 1 2 253.309 1.518 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](CO)CC1 ZINC000293064601 342591263 /nfs/dbraw/zinc/59/12/63/342591263.db2.gz IRZZVAQPJVWDIW-NSHDSACASA-N 1 2 293.392 1.653 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](CO)CC1 ZINC000293064601 342591264 /nfs/dbraw/zinc/59/12/64/342591264.db2.gz IRZZVAQPJVWDIW-NSHDSACASA-N 1 2 293.392 1.653 20 30 CDEDLO N#CC1(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCC1 ZINC000591410821 342630332 /nfs/dbraw/zinc/63/03/32/342630332.db2.gz LJKXHKOQIWEEFT-CYBMUJFWSA-N 1 2 287.367 1.923 20 30 CDEDLO C[C@@H](C#N)CNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000611634175 346835340 /nfs/dbraw/zinc/83/53/40/346835340.db2.gz RVIZWLQJNRVONH-LBPRGKRZSA-N 1 2 292.408 1.735 20 30 CDEDLO C[C@@H](C#N)CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000619037726 349598625 /nfs/dbraw/zinc/59/86/25/349598625.db2.gz AXZQFUMZGKGFEY-WCQYABFASA-N 1 2 274.324 1.404 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000592148585 342668416 /nfs/dbraw/zinc/66/84/16/342668416.db2.gz XCPAALYNUCNMTO-HNNXBMFYSA-N 1 2 284.319 1.587 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000592148585 342668417 /nfs/dbraw/zinc/66/84/17/342668417.db2.gz XCPAALYNUCNMTO-HNNXBMFYSA-N 1 2 284.319 1.587 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000592148326 342668475 /nfs/dbraw/zinc/66/84/75/342668475.db2.gz UEBUJHGJNVAMLV-CYBMUJFWSA-N 1 2 290.348 1.649 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000592148326 342668476 /nfs/dbraw/zinc/66/84/76/342668476.db2.gz UEBUJHGJNVAMLV-CYBMUJFWSA-N 1 2 290.348 1.649 20 30 CDEDLO COC(=O)[C@H](c1ccccc1C)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151028 342668990 /nfs/dbraw/zinc/66/89/90/342668990.db2.gz JGSVTTORAUTCOI-HOCLYGCPSA-N 1 2 288.347 1.560 20 30 CDEDLO COC(=O)[C@H](c1ccccc1C)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151028 342668991 /nfs/dbraw/zinc/66/89/91/342668991.db2.gz JGSVTTORAUTCOI-HOCLYGCPSA-N 1 2 288.347 1.560 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000592152361 342669409 /nfs/dbraw/zinc/66/94/09/342669409.db2.gz WHSJMELCKFMAGZ-CQSZACIVSA-N 1 2 259.284 1.548 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000592152361 342669410 /nfs/dbraw/zinc/66/94/10/342669410.db2.gz WHSJMELCKFMAGZ-CQSZACIVSA-N 1 2 259.284 1.548 20 30 CDEDLO C[C@@]1(C#N)CCC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC000619049752 349605508 /nfs/dbraw/zinc/60/55/08/349605508.db2.gz QZHFPQHRTGDEQV-NEPJUHHUSA-N 1 2 256.371 1.047 20 30 CDEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC000619049752 349605512 /nfs/dbraw/zinc/60/55/12/349605512.db2.gz QZHFPQHRTGDEQV-NEPJUHHUSA-N 1 2 256.371 1.047 20 30 CDEDLO C#CC[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000048216964 361840404 /nfs/dbraw/zinc/84/04/04/361840404.db2.gz KJZIKCLQAFNURZ-UHFFFAOYSA-N 1 2 291.782 1.529 20 30 CDEDLO CSC[C@](C)(C#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000593160513 342771841 /nfs/dbraw/zinc/77/18/41/342771841.db2.gz VWMQZZAZBKTDET-JQWIXIFHSA-N 1 2 266.370 1.596 20 30 CDEDLO C[C@@H]1CCC[C@H]1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593154851 342774290 /nfs/dbraw/zinc/77/42/90/342774290.db2.gz LPEGNPMEVIZLSP-MBNYWOFBSA-N 1 2 251.374 1.773 20 30 CDEDLO C[C@@H](CC#N)[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000611728441 346862160 /nfs/dbraw/zinc/86/21/60/346862160.db2.gz UQSLUEQRUOKJOZ-NSHDSACASA-N 1 2 281.381 1.329 20 30 CDEDLO CC[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)[C@H](C)CO1 ZINC000593666713 342820237 /nfs/dbraw/zinc/82/02/37/342820237.db2.gz QIUFBRIEJIHSTL-BXUZGUMPSA-N 1 2 285.351 1.600 20 30 CDEDLO CC[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)[C@H](C)CO1 ZINC000593666713 342820238 /nfs/dbraw/zinc/82/02/38/342820238.db2.gz QIUFBRIEJIHSTL-BXUZGUMPSA-N 1 2 285.351 1.600 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3CC[C@](O)(CC#N)C3)ccn12 ZINC000594373749 342892758 /nfs/dbraw/zinc/89/27/58/342892758.db2.gz FPXYYDWYQOIDRC-OAHLLOKOSA-N 1 2 284.319 1.133 20 30 CDEDLO CC[N@H+](CCCNS(=O)(=O)[C@H](C)C#N)c1ccccc1 ZINC000352415914 539063592 /nfs/dbraw/zinc/06/35/92/539063592.db2.gz ZMFZEPFPRSAFAH-CYBMUJFWSA-N 1 2 295.408 1.734 20 30 CDEDLO CC[N@@H+](CCCNS(=O)(=O)[C@H](C)C#N)c1ccccc1 ZINC000352415914 539063593 /nfs/dbraw/zinc/06/35/93/539063593.db2.gz ZMFZEPFPRSAFAH-CYBMUJFWSA-N 1 2 295.408 1.734 20 30 CDEDLO N#Cc1ccc(C[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000594511939 342912642 /nfs/dbraw/zinc/91/26/42/342912642.db2.gz RUWIYQRNACYPMX-ZDUSSCGKSA-N 1 2 283.335 1.818 20 30 CDEDLO C=CCOc1ccccc1C[NH2+]CN1CCC(=O)CC1 ZINC000273135427 192052790 /nfs/dbraw/zinc/05/27/90/192052790.db2.gz VVHWBEAOLUAJGP-UHFFFAOYSA-N 1 2 274.364 1.963 20 30 CDEDLO C=CCC1(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCOCC1 ZINC000618251642 342268393 /nfs/dbraw/zinc/26/83/93/342268393.db2.gz NUFKSDMPDFCTKN-LBPRGKRZSA-N 1 2 277.368 1.830 20 30 CDEDLO C=CCC1(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCOCC1 ZINC000618251642 342268394 /nfs/dbraw/zinc/26/83/94/342268394.db2.gz NUFKSDMPDFCTKN-LBPRGKRZSA-N 1 2 277.368 1.830 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCc1c[nH+]cn1C)OCC ZINC000291111577 539132680 /nfs/dbraw/zinc/13/26/80/539132680.db2.gz COJOQNPGVLSUBU-LBPRGKRZSA-N 1 2 251.330 1.408 20 30 CDEDLO N#CCC[N@@H+](Cc1cccnc1)C[C@H]1CNc2ccnn2C1 ZINC000619264531 349663370 /nfs/dbraw/zinc/66/33/70/349663370.db2.gz IGYOKSNMEHASDU-OAHLLOKOSA-N 1 2 296.378 1.736 20 30 CDEDLO N#CCC[N@H+](Cc1cccnc1)C[C@H]1CNc2ccnn2C1 ZINC000619264531 349663374 /nfs/dbraw/zinc/66/33/74/349663374.db2.gz IGYOKSNMEHASDU-OAHLLOKOSA-N 1 2 296.378 1.736 20 30 CDEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000230191852 349776133 /nfs/dbraw/zinc/77/61/33/349776133.db2.gz YHVSBBBRUHSVBU-UHFFFAOYSA-N 1 2 276.321 1.068 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@@H](C)CO1 ZINC000329742630 362037639 /nfs/dbraw/zinc/03/76/39/362037639.db2.gz PPAYVHYDKNBSFO-HBNTYKKESA-N 1 2 278.356 1.290 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)[C@@H](C)CO1 ZINC000329742630 362037644 /nfs/dbraw/zinc/03/76/44/362037644.db2.gz PPAYVHYDKNBSFO-HBNTYKKESA-N 1 2 278.356 1.290 20 30 CDEDLO COC(=O)[C@@]1([NH2+]CCOCCC#N)CC[C@@H](C)CC1 ZINC000595705327 343127555 /nfs/dbraw/zinc/12/75/55/343127555.db2.gz SWIBZTUGQZWBHP-MQMHXKEQSA-N 1 2 268.357 1.628 20 30 CDEDLO C=C(Cl)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000081420828 342368854 /nfs/dbraw/zinc/36/88/54/342368854.db2.gz UVUANODXTWVXHG-CYBMUJFWSA-N 1 2 279.771 1.915 20 30 CDEDLO C=C(Cl)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000081420828 342368855 /nfs/dbraw/zinc/36/88/55/342368855.db2.gz UVUANODXTWVXHG-CYBMUJFWSA-N 1 2 279.771 1.915 20 30 CDEDLO CN1CC[NH+](CCCNc2nc(C#N)c(Cl)s2)CC1 ZINC000596061706 343223302 /nfs/dbraw/zinc/22/33/02/343223302.db2.gz ICONQUSRYBISKL-UHFFFAOYSA-N 1 2 299.831 1.139 20 30 CDEDLO N#CC[C@@]1(O)CCN(c2[nH+]ccc3c(N)cccc32)C1 ZINC000596287643 343288764 /nfs/dbraw/zinc/28/87/64/343288764.db2.gz XZWWKPGRJXKRRQ-OAHLLOKOSA-N 1 2 268.320 1.672 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCc3n[nH]cc3C2)ccc1F ZINC000091079278 342399994 /nfs/dbraw/zinc/39/99/94/342399994.db2.gz SJWIIMJBQRCEEA-UHFFFAOYSA-N 1 2 256.284 1.979 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCc3n[nH]cc3C2)ccc1F ZINC000091079278 342399995 /nfs/dbraw/zinc/39/99/95/342399995.db2.gz SJWIIMJBQRCEEA-UHFFFAOYSA-N 1 2 256.284 1.979 20 30 CDEDLO C#CCOc1ccc(C[NH+]2CCN(C(=O)OC)CC2)cc1 ZINC000092217280 342408088 /nfs/dbraw/zinc/40/80/88/342408088.db2.gz LAUHZYLHDPMWFN-UHFFFAOYSA-N 1 2 288.347 1.583 20 30 CDEDLO C=CC[N@@H+](Cc1ccn(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361225 342411570 /nfs/dbraw/zinc/41/15/70/342411570.db2.gz GGMHBHHJCJNEMI-CYBMUJFWSA-N 1 2 268.382 1.200 20 30 CDEDLO C=CC[N@H+](Cc1ccn(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361225 342411571 /nfs/dbraw/zinc/41/15/71/342411571.db2.gz GGMHBHHJCJNEMI-CYBMUJFWSA-N 1 2 268.382 1.200 20 30 CDEDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCCCC(C)(C)C#N ZINC000444599722 362193284 /nfs/dbraw/zinc/19/32/84/362193284.db2.gz RRXHRLSBLCMAEI-LBPRGKRZSA-N 1 2 295.383 1.070 20 30 CDEDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCCCC(C)(C)C#N ZINC000444599722 362193291 /nfs/dbraw/zinc/19/32/91/362193291.db2.gz RRXHRLSBLCMAEI-LBPRGKRZSA-N 1 2 295.383 1.070 20 30 CDEDLO C=CC[N@@H+](CCO)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000444679348 362197763 /nfs/dbraw/zinc/19/77/63/362197763.db2.gz ATUCJWMCFYSFLQ-HNNXBMFYSA-N 1 2 277.364 1.641 20 30 CDEDLO C=CC[N@H+](CCO)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000444679348 362197764 /nfs/dbraw/zinc/19/77/64/362197764.db2.gz ATUCJWMCFYSFLQ-HNNXBMFYSA-N 1 2 277.364 1.641 20 30 CDEDLO O=C(C[N@@H+]1CCO[C@H]2CCC[C@H]21)NC(=O)NC1CC1 ZINC000330266952 362198312 /nfs/dbraw/zinc/19/83/12/362198312.db2.gz HWMAHXFLKRLSMQ-MNOVXSKESA-N 1 2 267.329 1.273 20 30 CDEDLO O=C(C[N@H+]1CCO[C@H]2CCC[C@H]21)NC(=O)NC1CC1 ZINC000330266952 362198320 /nfs/dbraw/zinc/19/83/20/362198320.db2.gz HWMAHXFLKRLSMQ-MNOVXSKESA-N 1 2 267.329 1.273 20 30 CDEDLO COCC[N@@H+](CCC#N)CCOc1ccc([N+](=O)[O-])cc1 ZINC000072688893 349812292 /nfs/dbraw/zinc/81/22/92/349812292.db2.gz KLCSTJMYYADIAQ-UHFFFAOYSA-N 1 2 293.323 1.836 20 30 CDEDLO COCC[N@H+](CCC#N)CCOc1ccc([N+](=O)[O-])cc1 ZINC000072688893 349812296 /nfs/dbraw/zinc/81/22/96/349812296.db2.gz KLCSTJMYYADIAQ-UHFFFAOYSA-N 1 2 293.323 1.836 20 30 CDEDLO N#CC1(CC(=O)NCCc2[nH]cc[nH+]2)CCCCC1 ZINC000597202456 343471953 /nfs/dbraw/zinc/47/19/53/343471953.db2.gz BRWRCHWTRNTJJH-UHFFFAOYSA-N 1 2 260.341 1.933 20 30 CDEDLO CCc1nc(C)c(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)s1 ZINC000330335996 529726263 /nfs/dbraw/zinc/72/62/63/529726263.db2.gz RZXNZUSPIXRRRH-SNVBAGLBSA-N 1 2 298.412 1.670 20 30 CDEDLO CCc1nc(C)c(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000330335996 529726265 /nfs/dbraw/zinc/72/62/65/529726265.db2.gz RZXNZUSPIXRRRH-SNVBAGLBSA-N 1 2 298.412 1.670 20 30 CDEDLO C[C@@H](CC(=O)N1CCC[C@H](CC#N)C1)n1cc[nH+]c1 ZINC000597900554 343665350 /nfs/dbraw/zinc/66/53/50/343665350.db2.gz CAMAZZJEIQEGRG-QWHCGFSZSA-N 1 2 260.341 1.986 20 30 CDEDLO Cc1c[nH]c(CN2CCN(c3ccccc3C#N)CC2)[nH+]1 ZINC000600112710 349835539 /nfs/dbraw/zinc/83/55/39/349835539.db2.gz UWUJQHAYOFFMBS-UHFFFAOYSA-N 1 2 281.363 1.912 20 30 CDEDLO C[C@H](C#N)N(C(=O)c1ccc2[nH+]ccn2c1)C1CC1 ZINC000598130918 343722491 /nfs/dbraw/zinc/72/24/91/343722491.db2.gz VBFANUVIXKBMHD-SNVBAGLBSA-N 1 2 254.293 1.851 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000619719316 349869667 /nfs/dbraw/zinc/86/96/67/349869667.db2.gz NFHHBSSGGXWDAB-CQSZACIVSA-N 1 2 261.321 1.520 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCc2ccc(O)cc2CC1 ZINC000619719316 349869670 /nfs/dbraw/zinc/86/96/70/349869670.db2.gz NFHHBSSGGXWDAB-CQSZACIVSA-N 1 2 261.321 1.520 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000619722172 349871740 /nfs/dbraw/zinc/87/17/40/349871740.db2.gz QTPUGGNYOWCEAJ-OLZOCXBDSA-N 1 2 253.342 1.605 20 30 CDEDLO COc1ccc(CC(N)=[NH+]O[C@@H](C)c2nnc(C)o2)cc1 ZINC000174124199 365798698 /nfs/dbraw/zinc/79/86/98/365798698.db2.gz LZBAOROYBWMODT-VIFPVBQESA-N 1 2 290.323 1.979 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000598618355 343844047 /nfs/dbraw/zinc/84/40/47/343844047.db2.gz WQKWNCJEOYTECJ-GHMZBOCLSA-N 1 2 293.371 1.338 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000598618355 343844049 /nfs/dbraw/zinc/84/40/49/343844049.db2.gz WQKWNCJEOYTECJ-GHMZBOCLSA-N 1 2 293.371 1.338 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCc2ncsc2C1 ZINC000445869795 362276814 /nfs/dbraw/zinc/27/68/14/362276814.db2.gz SSCBJCYJXLEJNW-VIFPVBQESA-N 1 2 251.355 1.192 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCc2ncsc2C1 ZINC000445869795 362276820 /nfs/dbraw/zinc/27/68/20/362276820.db2.gz SSCBJCYJXLEJNW-VIFPVBQESA-N 1 2 251.355 1.192 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CC(=O)N1CCCC1 ZINC000623052673 344160804 /nfs/dbraw/zinc/16/08/04/344160804.db2.gz SUTGNBFVPAZFLK-CQSZACIVSA-N 1 2 295.427 1.354 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CCCC1 ZINC000623052673 344160807 /nfs/dbraw/zinc/16/08/07/344160807.db2.gz SUTGNBFVPAZFLK-CQSZACIVSA-N 1 2 295.427 1.354 20 30 CDEDLO N#CCCn1[nH]c2c(c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000601931562 344283912 /nfs/dbraw/zinc/28/39/12/344283912.db2.gz MBFWSBPSKQPDBH-AWEZNQCLSA-N 1 2 282.347 1.620 20 30 CDEDLO N#CCCn1[nH]c2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000601931562 344283915 /nfs/dbraw/zinc/28/39/15/344283915.db2.gz MBFWSBPSKQPDBH-AWEZNQCLSA-N 1 2 282.347 1.620 20 30 CDEDLO Cn1ncc(Br)c1C[NH2+]C[C@@H](C#N)CCC#N ZINC000601932555 344284680 /nfs/dbraw/zinc/28/46/80/344284680.db2.gz GSAKGKYEYCGDPC-SECBINFHSA-N 1 2 296.172 1.716 20 30 CDEDLO N#CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000060336372 344408359 /nfs/dbraw/zinc/40/83/59/344408359.db2.gz GEQGYAJSEFKXHI-UHFFFAOYSA-N 1 2 271.236 1.034 20 30 CDEDLO COC(=O)c1cc(C[N@@H+]2CCC[C@H](CC#N)C2)on1 ZINC000602704058 344548383 /nfs/dbraw/zinc/54/83/83/344548383.db2.gz BGOGMUVXOQUAKG-SNVBAGLBSA-N 1 2 263.297 1.587 20 30 CDEDLO COC(=O)c1cc(C[N@H+]2CCC[C@H](CC#N)C2)on1 ZINC000602704058 344548385 /nfs/dbraw/zinc/54/83/85/344548385.db2.gz BGOGMUVXOQUAKG-SNVBAGLBSA-N 1 2 263.297 1.587 20 30 CDEDLO Cc1nc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)oc1C ZINC000265550837 362446685 /nfs/dbraw/zinc/44/66/85/362446685.db2.gz QMOZPBISSDWOLZ-UHFFFAOYSA-N 1 2 297.362 1.880 20 30 CDEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000265606765 362460868 /nfs/dbraw/zinc/46/08/68/362460868.db2.gz KJEFBYXZOBTSBE-FTLABTOESA-N 1 2 262.378 1.900 20 30 CDEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000265606765 362460876 /nfs/dbraw/zinc/46/08/76/362460876.db2.gz KJEFBYXZOBTSBE-FTLABTOESA-N 1 2 262.378 1.900 20 30 CDEDLO COc1ccccc1CN(C)C(=O)C[NH2+][C@H](C)CC#N ZINC000602860719 344616553 /nfs/dbraw/zinc/61/65/53/344616553.db2.gz DQERUEINABEWDD-GFCCVEGCSA-N 1 2 275.352 1.545 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)N1CCC[C@@](C)(C#N)C1 ZINC000612158056 347061730 /nfs/dbraw/zinc/06/17/30/347061730.db2.gz HJWWLNTWVFAXHB-KBPBESRZSA-N 1 2 251.374 1.333 20 30 CDEDLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)CC#N)cc1 ZINC000602867997 344639353 /nfs/dbraw/zinc/63/93/53/344639353.db2.gz GQELMHSCXLPKSY-MNOVXSKESA-N 1 2 261.325 1.914 20 30 CDEDLO Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H](C)CC#N)c1C ZINC000602869928 344640476 /nfs/dbraw/zinc/64/04/76/344640476.db2.gz QQJQAQHHOLNBAN-LLVKDONJSA-N 1 2 288.351 1.843 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H]1CCN(c2sccc2C#N)C1=O ZINC000602870841 344641263 /nfs/dbraw/zinc/64/12/63/344641263.db2.gz XTBDECPXKJZENZ-GXSJLCMTSA-N 1 2 274.349 1.617 20 30 CDEDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166725 347067872 /nfs/dbraw/zinc/06/78/72/347067872.db2.gz RNEFTMWPZDYEFO-FZMZJTMJSA-N 1 2 251.374 1.915 20 30 CDEDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166725 347067876 /nfs/dbraw/zinc/06/78/76/347067876.db2.gz RNEFTMWPZDYEFO-FZMZJTMJSA-N 1 2 251.374 1.915 20 30 CDEDLO C[C@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)CC[S@@]1=O ZINC000537617883 282375272 /nfs/dbraw/zinc/37/52/72/282375272.db2.gz JPBXZVZVLAWXTN-YBTHPKLGSA-N 1 2 288.376 1.159 20 30 CDEDLO CC[C@H](C)NC(=O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609538507 345595351 /nfs/dbraw/zinc/59/53/51/345595351.db2.gz LMECNAPSDHPYTP-KBPBESRZSA-N 1 2 280.416 1.067 20 30 CDEDLO C=CCN(C(=O)CCc1c[nH+]c[nH]1)[C@H](C)COC ZINC000617582779 345867998 /nfs/dbraw/zinc/86/79/98/345867998.db2.gz VFCHEANNFGOZCQ-LLVKDONJSA-N 1 2 251.330 1.392 20 30 CDEDLO C=CCN(C(=O)CCc1c[nH]c[nH+]1)[C@H](C)COC ZINC000617582779 345868000 /nfs/dbraw/zinc/86/80/00/345868000.db2.gz VFCHEANNFGOZCQ-LLVKDONJSA-N 1 2 251.330 1.392 20 30 CDEDLO COCCN(CCC#N)Cc1[nH+]ccn1C(C)C ZINC000610392070 346269753 /nfs/dbraw/zinc/26/97/53/346269753.db2.gz FWOKUDNKFSXFJJ-UHFFFAOYSA-N 1 2 250.346 1.826 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@]23CCNC3=O)c1 ZINC000584663353 346385413 /nfs/dbraw/zinc/38/54/13/346385413.db2.gz ZSFIVSKCPCHGES-OAHLLOKOSA-N 1 2 273.311 1.552 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@]23CCNC3=O)c1 ZINC000584663353 346385417 /nfs/dbraw/zinc/38/54/17/346385417.db2.gz ZSFIVSKCPCHGES-OAHLLOKOSA-N 1 2 273.311 1.552 20 30 CDEDLO COCCc1noc(C[NH2+][C@H](C)c2cccc(C#N)c2)n1 ZINC000611387250 346776294 /nfs/dbraw/zinc/77/62/94/346776294.db2.gz IOPQQNPXOCDRAY-LLVKDONJSA-N 1 2 286.335 1.981 20 30 CDEDLO C[C@@H](C#N)CN(C)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000063746920 347468345 /nfs/dbraw/zinc/46/83/45/347468345.db2.gz KOQBNXPTJMSJRO-NSHDSACASA-N 1 2 269.308 1.499 20 30 CDEDLO C#C[C@H](CC)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000491192023 347579324 /nfs/dbraw/zinc/57/93/24/347579324.db2.gz KGZRWKWXROIDJT-CQSZACIVSA-N 1 2 286.379 1.321 20 30 CDEDLO C#C[C@@H]1COCCN1C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000491251971 347579857 /nfs/dbraw/zinc/57/98/57/347579857.db2.gz DNJIIDNSGKDOHQ-CQSZACIVSA-N 1 2 298.346 1.186 20 30 CDEDLO CC(C)(C#N)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000055054326 347836073 /nfs/dbraw/zinc/83/60/73/347836073.db2.gz MXMQHFOROWAEGY-UHFFFAOYSA-N 1 2 277.393 1.942 20 30 CDEDLO COc1cc(C#N)cc(OC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000414121059 362926630 /nfs/dbraw/zinc/92/66/30/362926630.db2.gz FSFVGLBKFUHDQY-ZDUSSCGKSA-N 1 2 289.335 1.152 20 30 CDEDLO COc1cc(C#N)cc(OC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414121059 362926635 /nfs/dbraw/zinc/92/66/35/362926635.db2.gz FSFVGLBKFUHDQY-ZDUSSCGKSA-N 1 2 289.335 1.152 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(C#N)c(F)c1 ZINC000414142185 362923324 /nfs/dbraw/zinc/92/33/24/362923324.db2.gz MRZHKLMZFSZITF-LBPRGKRZSA-N 1 2 277.299 1.283 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(C#N)c(F)c1 ZINC000414142185 362923329 /nfs/dbraw/zinc/92/33/29/362923329.db2.gz MRZHKLMZFSZITF-LBPRGKRZSA-N 1 2 277.299 1.283 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615552193 348586010 /nfs/dbraw/zinc/58/60/10/348586010.db2.gz CKWUPRNYZKKZBR-HUUCEWRRSA-N 1 2 296.411 1.291 20 30 CDEDLO N#Cc1ccc2c(c1)N(C(=O)[C@H]1CCc3[nH+]ccn3C1)CC2 ZINC000615772474 348715897 /nfs/dbraw/zinc/71/58/97/348715897.db2.gz QKWJHUZIAMYBBV-AWEZNQCLSA-N 1 2 292.342 1.906 20 30 CDEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+](C)C[C@H](C)C#N ZINC000064797050 348947067 /nfs/dbraw/zinc/94/70/67/348947067.db2.gz DMQWYSHMEQECFQ-VXGBXAGGSA-N 1 2 294.399 1.625 20 30 CDEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+](C)C[C@H](C)C#N ZINC000064797050 348947069 /nfs/dbraw/zinc/94/70/69/348947069.db2.gz DMQWYSHMEQECFQ-VXGBXAGGSA-N 1 2 294.399 1.625 20 30 CDEDLO CCn1cc(C[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)cn1 ZINC000072980818 349144040 /nfs/dbraw/zinc/14/40/40/349144040.db2.gz MTMZTANWISHPAS-OAHLLOKOSA-N 1 2 291.399 1.389 20 30 CDEDLO CCn1cc(C[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)cn1 ZINC000072980818 349144044 /nfs/dbraw/zinc/14/40/44/349144044.db2.gz MTMZTANWISHPAS-OAHLLOKOSA-N 1 2 291.399 1.389 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1cnn(CC)c1 ZINC000072989181 349145307 /nfs/dbraw/zinc/14/53/07/349145307.db2.gz MECJMDKHQFGGDK-AWEZNQCLSA-N 1 2 290.411 1.924 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1cnn(CC)c1 ZINC000072989181 349145313 /nfs/dbraw/zinc/14/53/13/349145313.db2.gz MECJMDKHQFGGDK-AWEZNQCLSA-N 1 2 290.411 1.924 20 30 CDEDLO C=C[C@H](O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@@H](C)CO ZINC000616018419 349245836 /nfs/dbraw/zinc/24/58/36/349245836.db2.gz SIFNDZCXFIXATR-XPTSAGLGSA-N 1 2 289.335 1.383 20 30 CDEDLO N#Cc1cccc(C[NH2+]Cc2nnc3n2CCCCC3)n1 ZINC000602504216 350115797 /nfs/dbraw/zinc/11/57/97/350115797.db2.gz NXVDWXPCHMHZLK-UHFFFAOYSA-N 1 2 282.351 1.561 20 30 CDEDLO N#Cc1ccc(N2CCN(c3cc[nH+]cc3F)CC2)nc1 ZINC000603275893 350243468 /nfs/dbraw/zinc/24/34/68/350243468.db2.gz BEUFIQLBJKYMQA-UHFFFAOYSA-N 1 2 283.310 1.814 20 30 CDEDLO CCN1CC[N@H+](CCOc2cccc(C#N)c2)C[C@@H]1C ZINC000110718425 350291667 /nfs/dbraw/zinc/29/16/67/350291667.db2.gz KFZIXROIWMESSQ-AWEZNQCLSA-N 1 2 273.380 1.963 20 30 CDEDLO CCN1CC[N@@H+](CCOc2cccc(C#N)c2)C[C@@H]1C ZINC000110718425 350291668 /nfs/dbraw/zinc/29/16/68/350291668.db2.gz KFZIXROIWMESSQ-AWEZNQCLSA-N 1 2 273.380 1.963 20 30 CDEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCOC1 ZINC000106880842 186146515 /nfs/dbraw/zinc/14/65/15/186146515.db2.gz YMFOSXPKTZZQON-LBPRGKRZSA-N 1 2 293.754 1.871 20 30 CDEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCOC1 ZINC000106880842 186146517 /nfs/dbraw/zinc/14/65/17/186146517.db2.gz YMFOSXPKTZZQON-LBPRGKRZSA-N 1 2 293.754 1.871 20 30 CDEDLO C#CCCCCC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000271413612 191124422 /nfs/dbraw/zinc/12/44/22/191124422.db2.gz ZCOIYOSVYCPMCA-UHFFFAOYSA-N 1 2 259.353 1.957 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCc2ccccc2C1 ZINC000068616808 351112739 /nfs/dbraw/zinc/11/27/39/351112739.db2.gz FNSHFLPIBMQGDC-LBPRGKRZSA-N 1 2 257.337 1.463 20 30 CDEDLO COC(=O)C[N@H+](Cc1ccc(OCC#N)cc1)C(C)C ZINC000264585970 363101765 /nfs/dbraw/zinc/10/17/65/363101765.db2.gz XHKBIKGFWAVSRF-UHFFFAOYSA-N 1 2 276.336 1.972 20 30 CDEDLO COC(=O)C[N@@H+](Cc1ccc(OCC#N)cc1)C(C)C ZINC000264585970 363101767 /nfs/dbraw/zinc/10/17/67/363101767.db2.gz XHKBIKGFWAVSRF-UHFFFAOYSA-N 1 2 276.336 1.972 20 30 CDEDLO Cc1nonc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292377556 198264844 /nfs/dbraw/zinc/26/48/44/198264844.db2.gz YXHDTANCXFSVOF-GFCCVEGCSA-N 1 2 285.307 1.298 20 30 CDEDLO Cc1nonc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292377556 198264846 /nfs/dbraw/zinc/26/48/46/198264846.db2.gz YXHDTANCXFSVOF-GFCCVEGCSA-N 1 2 285.307 1.298 20 30 CDEDLO C[N@H+](CCOc1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000036869955 363284163 /nfs/dbraw/zinc/28/41/63/363284163.db2.gz UPPUWIVOBPRNEL-CYBMUJFWSA-N 1 2 294.376 1.056 20 30 CDEDLO C[N@@H+](CCOc1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000036869955 363284167 /nfs/dbraw/zinc/28/41/67/363284167.db2.gz UPPUWIVOBPRNEL-CYBMUJFWSA-N 1 2 294.376 1.056 20 30 CDEDLO Cc1ccccc1/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000493083834 366192159 /nfs/dbraw/zinc/19/21/59/366192159.db2.gz AKENAMVYQWCEED-YDZSZYSISA-N 1 2 271.364 1.968 20 30 CDEDLO CCn1cc[nH+]c1/C=C/C(=O)NCC1(C#N)CCC1 ZINC000493190016 366196699 /nfs/dbraw/zinc/19/66/99/366196699.db2.gz AKXLAQRCYWHUMJ-SNAWJCMRSA-N 1 2 258.325 1.726 20 30 CDEDLO N#Cc1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1Cl ZINC000336578283 356214284 /nfs/dbraw/zinc/21/42/84/356214284.db2.gz RZQBFBVFDASILI-UHFFFAOYSA-N 1 2 260.684 1.865 20 30 CDEDLO N#Cc1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1Cl ZINC000336578283 356214286 /nfs/dbraw/zinc/21/42/86/356214286.db2.gz RZQBFBVFDASILI-UHFFFAOYSA-N 1 2 260.684 1.865 20 30 CDEDLO N#Cc1ccc(C[NH2+]Cc2nnnn2-c2ccccc2)cc1 ZINC000336852392 356385980 /nfs/dbraw/zinc/38/59/80/356385980.db2.gz PYCMTTHSOSAWGU-UHFFFAOYSA-N 1 2 290.330 1.824 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cccc(C#N)c1 ZINC000047943072 363559387 /nfs/dbraw/zinc/55/93/87/363559387.db2.gz GNDMGNRVFNKXLC-NSHDSACASA-N 1 2 290.348 1.122 20 30 CDEDLO C=CCNC(=O)C[NH+](CCCC(C)C)CC(=O)NCC=C ZINC000298459577 356869542 /nfs/dbraw/zinc/86/95/42/356869542.db2.gz YSAUNSQBAPJEOH-UHFFFAOYSA-N 1 2 295.427 1.329 20 30 CDEDLO C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000181344481 357337566 /nfs/dbraw/zinc/33/75/66/357337566.db2.gz RRCZDIVFZSKSQY-BXUZGUMPSA-N 1 2 283.335 1.806 20 30 CDEDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC000334555630 357603452 /nfs/dbraw/zinc/60/34/52/357603452.db2.gz PNYLVXZTAUZDHY-BMLIUANNSA-N 1 2 268.407 1.963 20 30 CDEDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000334555630 357603454 /nfs/dbraw/zinc/60/34/54/357603454.db2.gz PNYLVXZTAUZDHY-BMLIUANNSA-N 1 2 268.407 1.963 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000491816388 357643479 /nfs/dbraw/zinc/64/34/79/357643479.db2.gz HFQARWZLWCUZHL-NSHDSACASA-N 1 2 276.336 1.596 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000491816388 357643482 /nfs/dbraw/zinc/64/34/82/357643482.db2.gz HFQARWZLWCUZHL-NSHDSACASA-N 1 2 276.336 1.596 20 30 CDEDLO Cc1nc(C(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1C#N ZINC000171064297 357864291 /nfs/dbraw/zinc/86/42/91/357864291.db2.gz PVMJZJWPSBAOAN-UHFFFAOYSA-N 1 2 295.346 1.936 20 30 CDEDLO Cc1ccc2[nH+]c(CNC(=O)c3ccc(C#N)[nH]3)cn2c1 ZINC000337477053 358046770 /nfs/dbraw/zinc/04/67/70/358046770.db2.gz XILKOHZMXSTRRU-UHFFFAOYSA-N 1 2 279.303 1.773 20 30 CDEDLO C#CCO[C@H](C)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000294589570 199098325 /nfs/dbraw/zinc/09/83/25/199098325.db2.gz UHFPTMALIBYPBI-CYBMUJFWSA-N 1 2 299.374 1.889 20 30 CDEDLO N#Cc1csc(C[N@@H+]2CCO[C@@H](Cn3cncn3)C2)c1 ZINC000331371571 358098660 /nfs/dbraw/zinc/09/86/60/358098660.db2.gz DTPFHNVSFWYAIG-GFCCVEGCSA-N 1 2 289.364 1.112 20 30 CDEDLO N#Cc1csc(C[N@H+]2CCO[C@@H](Cn3cncn3)C2)c1 ZINC000331371571 358098667 /nfs/dbraw/zinc/09/86/67/358098667.db2.gz DTPFHNVSFWYAIG-GFCCVEGCSA-N 1 2 289.364 1.112 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000338114694 358873820 /nfs/dbraw/zinc/87/38/20/358873820.db2.gz AKBTYEBNIBNQHL-GFCCVEGCSA-N 1 2 287.363 1.317 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000338114694 358873822 /nfs/dbraw/zinc/87/38/22/358873822.db2.gz AKBTYEBNIBNQHL-GFCCVEGCSA-N 1 2 287.363 1.317 20 30 CDEDLO C[C@H](C#N)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000346511507 359020173 /nfs/dbraw/zinc/02/01/73/359020173.db2.gz SNCFCYJVNFZHCG-LLVKDONJSA-N 1 2 268.320 1.344 20 30 CDEDLO C=CCN(CCc1ccco1)C(=O)[C@H]1COCC[N@H+]1CC ZINC000637089071 359184745 /nfs/dbraw/zinc/18/47/45/359184745.db2.gz FFCXAGASKWEWPT-OAHLLOKOSA-N 1 2 292.379 1.557 20 30 CDEDLO C=CCN(CCc1ccco1)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000637089071 359184747 /nfs/dbraw/zinc/18/47/47/359184747.db2.gz FFCXAGASKWEWPT-OAHLLOKOSA-N 1 2 292.379 1.557 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](O)C2)c1C ZINC000265114169 359324056 /nfs/dbraw/zinc/32/40/56/359324056.db2.gz IFNPSYCEJUMUMO-CYBMUJFWSA-N 1 2 262.353 1.540 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](O)C2)c1C ZINC000265114169 359324061 /nfs/dbraw/zinc/32/40/61/359324061.db2.gz IFNPSYCEJUMUMO-CYBMUJFWSA-N 1 2 262.353 1.540 20 30 CDEDLO Cc1cc(C#N)cc(NCc2ccc[nH+]c2N(C)C)n1 ZINC000339975884 359527393 /nfs/dbraw/zinc/52/73/93/359527393.db2.gz NPHWEQFITBQHMV-UHFFFAOYSA-N 1 2 267.336 1.757 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)c1cccc(F)c1C#N ZINC000547979805 359915662 /nfs/dbraw/zinc/91/56/62/359915662.db2.gz MPUHOMRRJXYBKL-UHFFFAOYSA-N 1 2 272.283 1.403 20 30 CDEDLO CC(C)(C)OC(=O)N1CCC(C=[NH+]n2ccnn2)CC1 ZINC000496027307 366611376 /nfs/dbraw/zinc/61/13/76/366611376.db2.gz PPIIDFRKEACWTG-UHFFFAOYSA-N 1 2 279.344 1.759 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@](O)(C(F)(F)F)C2)C1=O ZINC000337184356 360029659 /nfs/dbraw/zinc/02/96/59/360029659.db2.gz NSHYZFJVJQFZIY-ZYHUDNBSSA-N 1 2 292.301 1.163 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@](O)(C(F)(F)F)C2)C1=O ZINC000337184356 360029660 /nfs/dbraw/zinc/02/96/60/360029660.db2.gz NSHYZFJVJQFZIY-ZYHUDNBSSA-N 1 2 292.301 1.163 20 30 CDEDLO C[C@@H]1C[N@H+](CCSc2ccc(C#N)cn2)CCO1 ZINC000298226621 200365253 /nfs/dbraw/zinc/36/52/53/200365253.db2.gz HXSLRXIEABBOJD-LLVKDONJSA-N 1 2 263.366 1.766 20 30 CDEDLO C[C@@H]1C[N@@H+](CCSc2ccc(C#N)cn2)CCO1 ZINC000298226621 200365255 /nfs/dbraw/zinc/36/52/55/200365255.db2.gz HXSLRXIEABBOJD-LLVKDONJSA-N 1 2 263.366 1.766 20 30 CDEDLO CCOC(=O)C[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000159489694 360505678 /nfs/dbraw/zinc/50/56/78/360505678.db2.gz HYLWGPLODPGHHP-UHFFFAOYSA-N 1 2 289.335 1.382 20 30 CDEDLO CCOC(=O)C[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000159489694 360505681 /nfs/dbraw/zinc/50/56/81/360505681.db2.gz HYLWGPLODPGHHP-UHFFFAOYSA-N 1 2 289.335 1.382 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)N(CC#N)C1CC1 ZINC000531129173 360630795 /nfs/dbraw/zinc/63/07/95/360630795.db2.gz CNHSTGHBWGIIHL-UHFFFAOYSA-N 1 2 268.320 1.859 20 30 CDEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COCc1ccco1 ZINC000428834235 360727054 /nfs/dbraw/zinc/72/70/54/360727054.db2.gz LWVPRYLRYPTRRD-CYBMUJFWSA-N 1 2 264.325 1.559 20 30 CDEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COCc1ccco1 ZINC000428834235 360727058 /nfs/dbraw/zinc/72/70/58/360727058.db2.gz LWVPRYLRYPTRRD-CYBMUJFWSA-N 1 2 264.325 1.559 20 30 CDEDLO COCCC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000148119476 360835514 /nfs/dbraw/zinc/83/55/14/360835514.db2.gz XSXPOQMHBXIMBG-UHFFFAOYSA-N 1 2 296.392 1.300 20 30 CDEDLO COCCC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000148119476 360835517 /nfs/dbraw/zinc/83/55/17/360835517.db2.gz XSXPOQMHBXIMBG-UHFFFAOYSA-N 1 2 296.392 1.300 20 30 CDEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N1CCOCC1 ZINC000072691730 360918429 /nfs/dbraw/zinc/91/84/29/360918429.db2.gz LPYBWPJVKFFOQU-UHFFFAOYSA-N 1 2 267.373 1.107 20 30 CDEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N1CCOCC1 ZINC000072691730 360918433 /nfs/dbraw/zinc/91/84/33/360918433.db2.gz LPYBWPJVKFFOQU-UHFFFAOYSA-N 1 2 267.373 1.107 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2CCN(C)C[C@@H]2CO)c1 ZINC000639337560 361202027 /nfs/dbraw/zinc/20/20/27/361202027.db2.gz TZWMOWSVUPKTBQ-OAHLLOKOSA-N 1 2 276.380 1.360 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2CCN(C)C[C@@H]2CO)c1 ZINC000639337560 361202033 /nfs/dbraw/zinc/20/20/33/361202033.db2.gz TZWMOWSVUPKTBQ-OAHLLOKOSA-N 1 2 276.380 1.360 20 30 CDEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)CC(C)(C)C#N ZINC000433307823 361231838 /nfs/dbraw/zinc/23/18/38/361231838.db2.gz WBAPMIIIXTUQDX-NEPJUHHUSA-N 1 2 267.373 1.152 20 30 CDEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)CC(C)(C)C#N ZINC000433307823 361231846 /nfs/dbraw/zinc/23/18/46/361231846.db2.gz WBAPMIIIXTUQDX-NEPJUHHUSA-N 1 2 267.373 1.152 20 30 CDEDLO C[C@@H]1CCC[C@]1(O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329308586 361473838 /nfs/dbraw/zinc/47/38/38/361473838.db2.gz QFZGRUKEXNETPF-XUJVJEKNSA-N 1 2 277.368 1.953 20 30 CDEDLO O=C(NC[C@@H]1CCCOC1)N1CCn2cc[nH+]c2C1 ZINC000329414556 361504021 /nfs/dbraw/zinc/50/40/21/361504021.db2.gz FSCLAXQVSLJAID-NSHDSACASA-N 1 2 264.329 1.039 20 30 CDEDLO CCC[C@H](C#N)NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000532762051 364004986 /nfs/dbraw/zinc/00/49/86/364004986.db2.gz GWLYSPNLCNKUPC-GHMZBOCLSA-N 1 2 255.387 1.232 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)N3CCO[C@H](C#N)C3)cc2n1C ZINC000526994968 364045491 /nfs/dbraw/zinc/04/54/91/364045491.db2.gz FWJHRBJLMPWOKV-GFCCVEGCSA-N 1 2 284.319 1.246 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2nccn2C(F)F)nn1 ZINC000640954519 364778688 /nfs/dbraw/zinc/77/86/88/364778688.db2.gz SVKCMTAJXXEJQJ-UHFFFAOYSA-N 1 2 280.282 1.031 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2cn3ccccc3c2C#N)[C@@H](C(N)=O)C1 ZINC000249565302 364889389 /nfs/dbraw/zinc/88/93/89/364889389.db2.gz MVOMTRHDPSUGST-MLGOLLRUSA-N 1 2 296.374 1.897 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)[C@@H](C(N)=O)C1 ZINC000249565302 364889396 /nfs/dbraw/zinc/88/93/96/364889396.db2.gz MVOMTRHDPSUGST-MLGOLLRUSA-N 1 2 296.374 1.897 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000249596297 364973472 /nfs/dbraw/zinc/97/34/72/364973472.db2.gz WXZRSSYFBHRIQK-GLQYFDAESA-N 1 2 288.347 1.475 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000249596297 364973480 /nfs/dbraw/zinc/97/34/80/364973480.db2.gz WXZRSSYFBHRIQK-GLQYFDAESA-N 1 2 288.347 1.475 20 30 CDEDLO CCS(=O)(=O)C1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000195161784 189673133 /nfs/dbraw/zinc/67/31/33/189673133.db2.gz IHZLBMMYSFCVRC-UHFFFAOYSA-N 1 2 295.408 1.296 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCc2noc3ccccc32)nn1 ZINC000641139489 365096021 /nfs/dbraw/zinc/09/60/21/365096021.db2.gz ZNIDKKNWRXCUHI-UHFFFAOYSA-N 1 2 295.346 1.775 20 30 CDEDLO C=CCC[C@H](O)C[NH2+]C1(C(=O)OC)CCCCC1 ZINC000305044083 370827719 /nfs/dbraw/zinc/82/77/19/370827719.db2.gz AJFHLVKFOFKDLF-LBPRGKRZSA-N 1 2 255.358 1.779 20 30 CDEDLO C=C(CC)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000358502096 367731188 /nfs/dbraw/zinc/73/11/88/367731188.db2.gz VALVRUVXDGXNPG-UHFFFAOYSA-N 1 2 251.374 1.500 20 30 CDEDLO C=C(CC)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000358502096 367731196 /nfs/dbraw/zinc/73/11/96/367731196.db2.gz VALVRUVXDGXNPG-UHFFFAOYSA-N 1 2 251.374 1.500 20 30 CDEDLO C=C(CC)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000358502096 367731200 /nfs/dbraw/zinc/73/12/00/367731200.db2.gz VALVRUVXDGXNPG-UHFFFAOYSA-N 1 2 251.374 1.500 20 30 CDEDLO Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)NC2(C#N)CCC2)s1 ZINC000530337750 368172571 /nfs/dbraw/zinc/17/25/71/368172571.db2.gz WTCUGOFGPUXFLG-SNVBAGLBSA-N 1 2 292.408 1.834 20 30 CDEDLO Cc1ncc(C[N@H+](C)[C@H](C)C(=O)NC2(C#N)CCC2)s1 ZINC000530337750 368172578 /nfs/dbraw/zinc/17/25/78/368172578.db2.gz WTCUGOFGPUXFLG-SNVBAGLBSA-N 1 2 292.408 1.834 20 30 CDEDLO C#CC[NH+](CC#C)CCc1nc2ccccc2c(=O)[nH]1 ZINC000072906834 369148476 /nfs/dbraw/zinc/14/84/76/369148476.db2.gz QODMLYUJGIBMBD-UHFFFAOYSA-N 1 2 265.316 1.034 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cnc(C)s2)nn1 ZINC000630600314 369366621 /nfs/dbraw/zinc/36/66/21/369366621.db2.gz DOPLJGLHIVATCG-UHFFFAOYSA-N 1 2 261.354 1.204 20 30 CDEDLO Cc1nc(C#N)c(C#N)n1Cc1c(C)[nH+]c2ccccn21 ZINC000135477800 369695419 /nfs/dbraw/zinc/69/54/19/369695419.db2.gz SKMOQDJMWASYRL-UHFFFAOYSA-N 1 2 276.303 1.939 20 30 CDEDLO C=CCC[N@@H+](C)Cc1noc(C2CCOCC2)n1 ZINC000276492825 193354485 /nfs/dbraw/zinc/35/44/85/193354485.db2.gz VDKXPJYPQDPIAZ-UHFFFAOYSA-N 1 2 251.330 1.972 20 30 CDEDLO C=CCC[N@H+](C)Cc1noc(C2CCOCC2)n1 ZINC000276492825 193354487 /nfs/dbraw/zinc/35/44/87/193354487.db2.gz VDKXPJYPQDPIAZ-UHFFFAOYSA-N 1 2 251.330 1.972 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000351920501 284295563 /nfs/dbraw/zinc/29/55/63/284295563.db2.gz CBZHVKKKACVGLN-GDLCADMTSA-N 1 2 274.320 1.085 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000351920501 284295567 /nfs/dbraw/zinc/29/55/67/284295567.db2.gz CBZHVKKKACVGLN-GDLCADMTSA-N 1 2 274.320 1.085 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000181117659 372566793 /nfs/dbraw/zinc/56/67/93/372566793.db2.gz XXHCDOJVRZUEBJ-CQSZACIVSA-N 1 2 283.416 1.705 20 30 CDEDLO CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000130860091 373758121 /nfs/dbraw/zinc/75/81/21/373758121.db2.gz PWMGNQIURZTMCP-OAHLLOKOSA-N 1 2 294.358 1.976 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000103139360 373833800 /nfs/dbraw/zinc/83/38/00/373833800.db2.gz AGYXNMWHOBOBQD-AWEZNQCLSA-N 1 2 275.327 1.750 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000103139360 373833806 /nfs/dbraw/zinc/83/38/06/373833806.db2.gz AGYXNMWHOBOBQD-AWEZNQCLSA-N 1 2 275.327 1.750 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000357266893 373903133 /nfs/dbraw/zinc/90/31/33/373903133.db2.gz VDFRHOAWMPINHQ-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000357266893 373903137 /nfs/dbraw/zinc/90/31/37/373903137.db2.gz VDFRHOAWMPINHQ-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO Cc1nn(C)c(C)c1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360069912 373999216 /nfs/dbraw/zinc/99/92/16/373999216.db2.gz ROCOZIQVKJEDMJ-OAHLLOKOSA-N 1 2 297.362 1.225 20 30 CDEDLO C[C@@H](C[NH+]1CCN(C)CC1)Nc1c(C#N)cccc1C#N ZINC000302900425 373985272 /nfs/dbraw/zinc/98/52/72/373985272.db2.gz SNQSVPGAVGJQMG-ZDUSSCGKSA-N 1 2 283.379 1.478 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)CCCO1 ZINC000061918365 374121436 /nfs/dbraw/zinc/12/14/36/374121436.db2.gz DMJZWPJPPBXHTM-LBPRGKRZSA-N 1 2 273.336 1.608 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)CCCO1 ZINC000061918365 374121440 /nfs/dbraw/zinc/12/14/40/374121440.db2.gz DMJZWPJPPBXHTM-LBPRGKRZSA-N 1 2 273.336 1.608 20 30 CDEDLO CC1(C)C(=O)NCC[N@H+]1CCOc1ccccc1C#N ZINC000104073728 374168035 /nfs/dbraw/zinc/16/80/35/374168035.db2.gz DJONHKSOAYGXMS-UHFFFAOYSA-N 1 2 273.336 1.147 20 30 CDEDLO CC1(C)C(=O)NCC[N@@H+]1CCOc1ccccc1C#N ZINC000104073728 374168040 /nfs/dbraw/zinc/16/80/40/374168040.db2.gz DJONHKSOAYGXMS-UHFFFAOYSA-N 1 2 273.336 1.147 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000523487367 374275741 /nfs/dbraw/zinc/27/57/41/374275741.db2.gz JWDCYQKJPANDKB-LBPRGKRZSA-N 1 2 288.351 1.400 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000523487367 374275748 /nfs/dbraw/zinc/27/57/48/374275748.db2.gz JWDCYQKJPANDKB-LBPRGKRZSA-N 1 2 288.351 1.400 20 30 CDEDLO N#Cc1ccc(NCC(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000114338443 374305652 /nfs/dbraw/zinc/30/56/52/374305652.db2.gz ONDIOGFNWLHYCS-UHFFFAOYSA-N 1 2 255.281 1.010 20 30 CDEDLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000371325333 374416271 /nfs/dbraw/zinc/41/62/71/374416271.db2.gz DFBUJIDRBKNMFS-LBPRGKRZSA-N 1 2 299.421 1.133 20 30 CDEDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000371325333 374416281 /nfs/dbraw/zinc/41/62/81/374416281.db2.gz DFBUJIDRBKNMFS-LBPRGKRZSA-N 1 2 299.421 1.133 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[S@](=O)CC[C@H]1C ZINC000375942956 374525623 /nfs/dbraw/zinc/52/56/23/374525623.db2.gz RXWNVZMIJZKTQH-MPBGBICISA-N 1 2 292.404 1.910 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CC[S@](=O)CC[C@H]1C ZINC000375942956 374525630 /nfs/dbraw/zinc/52/56/30/374525630.db2.gz RXWNVZMIJZKTQH-MPBGBICISA-N 1 2 292.404 1.910 20 30 CDEDLO COC1(C)C[NH+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000353024600 374515056 /nfs/dbraw/zinc/51/50/56/374515056.db2.gz IZWBUUBAVTVSIK-CYBMUJFWSA-N 1 2 276.336 1.019 20 30 CDEDLO C[C@@H]1CC[N@H+](CCOc2ccccc2C#N)CC[S@]1=O ZINC000277223774 374778268 /nfs/dbraw/zinc/77/82/68/374778268.db2.gz ODVLIFXTJSANRK-ZUOKHONESA-N 1 2 292.404 1.780 20 30 CDEDLO C[C@@H]1CC[N@@H+](CCOc2ccccc2C#N)CC[S@]1=O ZINC000277223774 374778276 /nfs/dbraw/zinc/77/82/76/374778276.db2.gz ODVLIFXTJSANRK-ZUOKHONESA-N 1 2 292.404 1.780 20 30 CDEDLO CC1(C)C[N@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1O ZINC000279943329 374975806 /nfs/dbraw/zinc/97/58/06/374975806.db2.gz XIWCBPMRLZRDMR-JTQLQIEISA-N 1 2 279.365 1.261 20 30 CDEDLO CC1(C)C[N@@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1O ZINC000279943329 374975811 /nfs/dbraw/zinc/97/58/11/374975811.db2.gz XIWCBPMRLZRDMR-JTQLQIEISA-N 1 2 279.365 1.261 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@](F)(CO)C2)s1 ZINC000334371322 375089267 /nfs/dbraw/zinc/08/92/67/375089267.db2.gz XBGPRDCOGMRJPS-LBPRGKRZSA-N 1 2 254.330 1.916 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@](F)(CO)C2)s1 ZINC000334371322 375089273 /nfs/dbraw/zinc/08/92/73/375089273.db2.gz XBGPRDCOGMRJPS-LBPRGKRZSA-N 1 2 254.330 1.916 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCc3sccc3C2)CCC1 ZINC000334443283 375381768 /nfs/dbraw/zinc/38/17/68/375381768.db2.gz MBNKHBLIGVYGJW-UHFFFAOYSA-N 1 2 275.377 1.669 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCc3sccc3C2)CCC1 ZINC000334443283 375381769 /nfs/dbraw/zinc/38/17/69/375381769.db2.gz MBNKHBLIGVYGJW-UHFFFAOYSA-N 1 2 275.377 1.669 20 30 CDEDLO C[C@@H](O)CNc1cc(N[C@@H]2CC[C@H](C#N)C2)nc[nH+]1 ZINC000425276280 375585828 /nfs/dbraw/zinc/58/58/28/375585828.db2.gz VURGNUYXCHLPBS-OUAUKWLOSA-N 1 2 261.329 1.373 20 30 CDEDLO C[C@@H](O)CNc1cc(N[C@@H]2CC[C@H](C#N)C2)[nH+]cn1 ZINC000425276280 375585834 /nfs/dbraw/zinc/58/58/34/375585834.db2.gz VURGNUYXCHLPBS-OUAUKWLOSA-N 1 2 261.329 1.373 20 30 CDEDLO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000162932425 375561468 /nfs/dbraw/zinc/56/14/68/375561468.db2.gz RMSZPULRORYMDI-CYBMUJFWSA-N 1 2 277.755 1.922 20 30 CDEDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000162932425 375561471 /nfs/dbraw/zinc/56/14/71/375561471.db2.gz RMSZPULRORYMDI-CYBMUJFWSA-N 1 2 277.755 1.922 20 30 CDEDLO N#Cc1ccc(NC(=O)NCc2ccc(N)[nH+]c2)cc1F ZINC000353512845 375573225 /nfs/dbraw/zinc/57/32/25/375573225.db2.gz RJBOAQJRFPIZDB-UHFFFAOYSA-N 1 2 285.282 1.827 20 30 CDEDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)c1ccccc1C#N ZINC000058181261 375684785 /nfs/dbraw/zinc/68/47/85/375684785.db2.gz BOEZTCFZXYLVPT-UHFFFAOYSA-N 1 2 290.348 1.112 20 30 CDEDLO Cc1cc(N2CCC[C@H](OC(=O)N(C)C)C2)c(C#N)c[nH+]1 ZINC000496305945 375733181 /nfs/dbraw/zinc/73/31/81/375733181.db2.gz LMWZXEBRGNIQIM-ZDUSSCGKSA-N 1 2 288.351 1.929 20 30 CDEDLO N#Cc1nccnc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269836015 375747834 /nfs/dbraw/zinc/74/78/34/375747834.db2.gz ATFVJRFULNMSJM-NSHDSACASA-N 1 2 266.308 1.434 20 30 CDEDLO C=CC[N@@H+](CC(=O)NC(=O)NC)Cc1ccccc1F ZINC000048707426 375863389 /nfs/dbraw/zinc/86/33/89/375863389.db2.gz IYIAPIYGEPSEIQ-UHFFFAOYSA-N 1 2 279.315 1.269 20 30 CDEDLO C=CC[N@H+](CC(=O)NC(=O)NC)Cc1ccccc1F ZINC000048707426 375863395 /nfs/dbraw/zinc/86/33/95/375863395.db2.gz IYIAPIYGEPSEIQ-UHFFFAOYSA-N 1 2 279.315 1.269 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)COc2ccsc2)C1 ZINC000328649228 375908007 /nfs/dbraw/zinc/90/80/07/375908007.db2.gz IPNZHHUSQAFYRQ-LLVKDONJSA-N 1 2 270.354 1.414 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)COc2ccsc2)C1 ZINC000328649228 375908016 /nfs/dbraw/zinc/90/80/16/375908016.db2.gz IPNZHHUSQAFYRQ-LLVKDONJSA-N 1 2 270.354 1.414 20 30 CDEDLO CC[C@@H](C(=O)N[C@@H]1C=C[C@H](CO)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000328799623 375975917 /nfs/dbraw/zinc/97/59/17/375975917.db2.gz XSFHQVWLTUDXFP-YJNKXOJESA-N 1 2 296.411 1.769 20 30 CDEDLO CC[C@@H](C(=O)N[C@@H]1C=C[C@H](CO)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000328799623 375975921 /nfs/dbraw/zinc/97/59/21/375975921.db2.gz XSFHQVWLTUDXFP-YJNKXOJESA-N 1 2 296.411 1.769 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cn2c(n1)CCCC2 ZINC000328714685 375936480 /nfs/dbraw/zinc/93/64/80/375936480.db2.gz OEUYMMJZDNGIDI-GFCCVEGCSA-N 1 2 292.383 1.245 20 30 CDEDLO N#CC1(C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)CC1 ZINC000328748524 375944002 /nfs/dbraw/zinc/94/40/02/375944002.db2.gz PRJDYZIVUPFHNQ-LLVKDONJSA-N 1 2 257.341 1.372 20 30 CDEDLO N#CC1(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)CC1 ZINC000328748524 375944010 /nfs/dbraw/zinc/94/40/10/375944010.db2.gz PRJDYZIVUPFHNQ-LLVKDONJSA-N 1 2 257.341 1.372 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000195520381 376002980 /nfs/dbraw/zinc/00/29/80/376002980.db2.gz UEIYGDLRMMTVFB-UONOGXRCSA-N 1 2 298.394 1.847 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000195520381 376002982 /nfs/dbraw/zinc/00/29/82/376002982.db2.gz UEIYGDLRMMTVFB-UONOGXRCSA-N 1 2 298.394 1.847 20 30 CDEDLO C[C@@H]1CC(=O)N[C@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000328934428 376014769 /nfs/dbraw/zinc/01/47/69/376014769.db2.gz QADBJUYAZMNZQE-AUTRQRHGSA-N 1 2 276.340 1.979 20 30 CDEDLO C[C@@H]1CC(=O)N[C@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000328934428 376014772 /nfs/dbraw/zinc/01/47/72/376014772.db2.gz QADBJUYAZMNZQE-AUTRQRHGSA-N 1 2 276.340 1.979 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)C1=CCOCC1)[NH+]1CCOCC1 ZINC000331048970 376484505 /nfs/dbraw/zinc/48/45/05/376484505.db2.gz HJJCBWWLHKLNBY-NWDGAFQWSA-N 1 2 268.357 1.399 20 30 CDEDLO C[C@@H]1C[N@H+](CCNc2nc3ccccn3c2C#N)CCO1 ZINC000543900698 376553772 /nfs/dbraw/zinc/55/37/72/376553772.db2.gz SQPQRVOMUUOFHM-GFCCVEGCSA-N 1 2 285.351 1.339 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNc2nc3ccccn3c2C#N)CCO1 ZINC000543900698 376553781 /nfs/dbraw/zinc/55/37/81/376553781.db2.gz SQPQRVOMUUOFHM-GFCCVEGCSA-N 1 2 285.351 1.339 20 30 CDEDLO C=C1CC(C)(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000632454847 377486421 /nfs/dbraw/zinc/48/64/21/377486421.db2.gz MWDFNIPJXKIOGG-UHFFFAOYSA-N 1 2 286.379 1.790 20 30 CDEDLO C=CCCn1cc(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)nn1 ZINC000571875259 377560308 /nfs/dbraw/zinc/56/03/08/377560308.db2.gz ZWNUALVDVSSIDI-QWRGUYRKSA-N 1 2 286.339 1.487 20 30 CDEDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)NC1(C#N)CCC1)C2 ZINC000572270011 377816664 /nfs/dbraw/zinc/81/66/64/377816664.db2.gz CJOUONUEOUEFID-UHFFFAOYSA-N 1 2 269.348 1.873 20 30 CDEDLO Cc1ccc2c(c1)C[N@H+](CC(=O)NC1(C#N)CCC1)C2 ZINC000572270011 377816671 /nfs/dbraw/zinc/81/66/71/377816671.db2.gz CJOUONUEOUEFID-UHFFFAOYSA-N 1 2 269.348 1.873 20 30 CDEDLO C#Cc1cccc(NC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)c1 ZINC000280700666 377973294 /nfs/dbraw/zinc/97/32/94/377973294.db2.gz FFIRLPNKWXCSAT-OAHLLOKOSA-N 1 2 282.347 1.643 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(CCC)CCC)C1=O ZINC000281219778 377991705 /nfs/dbraw/zinc/99/17/05/377991705.db2.gz DTGSSFQPDUVCQW-CQSZACIVSA-N 1 2 295.427 1.354 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(CCC)CCC)C1=O ZINC000281219778 377991718 /nfs/dbraw/zinc/99/17/18/377991718.db2.gz DTGSSFQPDUVCQW-CQSZACIVSA-N 1 2 295.427 1.354 20 30 CDEDLO Cc1ccc(-c2n[nH]cc2C[NH+]2CCN(CC#N)CC2)o1 ZINC000092936137 378021612 /nfs/dbraw/zinc/02/16/12/378021612.db2.gz MIIFUKLEUMHZRW-UHFFFAOYSA-N 1 2 285.351 1.619 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000293323265 378557848 /nfs/dbraw/zinc/55/78/48/378557848.db2.gz GAZVVGQONPHOEB-OKILXGFUSA-N 1 2 265.401 1.211 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000293323265 378557858 /nfs/dbraw/zinc/55/78/58/378557858.db2.gz GAZVVGQONPHOEB-OKILXGFUSA-N 1 2 265.401 1.211 20 30 CDEDLO C=CCNC(=O)C[NH2+]Cc1c(F)ccc(O)c1F ZINC000293711045 378585419 /nfs/dbraw/zinc/58/54/19/378585419.db2.gz USKKOCSXJMPSAA-UHFFFAOYSA-N 1 2 256.252 1.062 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000278700842 194110726 /nfs/dbraw/zinc/11/07/26/194110726.db2.gz BERODUOPPCRURV-BXUZGUMPSA-N 1 2 263.341 1.790 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2nc(C)no2)C1 ZINC001662500143 1172554719 /nfs/dbraw/zinc/55/47/19/1172554719.db2.gz NRAWOAILPQTMPR-YPMHNXCESA-N 1 2 292.383 1.986 20 30 CDEDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000042294832 379560758 /nfs/dbraw/zinc/56/07/58/379560758.db2.gz RZTAAIOQZOMDLC-CYBMUJFWSA-N 1 2 261.300 1.408 20 30 CDEDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000042294832 379560765 /nfs/dbraw/zinc/56/07/65/379560765.db2.gz RZTAAIOQZOMDLC-CYBMUJFWSA-N 1 2 261.300 1.408 20 30 CDEDLO C[C@@]1([NH2+]CCOc2ccc(C#N)cc2)CCOC1=O ZINC000289440896 197349315 /nfs/dbraw/zinc/34/93/15/197349315.db2.gz DSRLHLAJMVRSHW-CQSZACIVSA-N 1 2 260.293 1.232 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1nnc(C(F)(F)F)s1 ZINC000662168787 412918453 /nfs/dbraw/zinc/91/84/53/412918453.db2.gz UWJMZINRPBNMMY-RXMQYKEDSA-N 1 2 253.249 1.193 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000492128745 253161016 /nfs/dbraw/zinc/16/10/16/253161016.db2.gz BPQNQGGBLFFKHV-FZMZJTMJSA-N 1 2 271.320 1.756 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000492128745 253161018 /nfs/dbraw/zinc/16/10/18/253161018.db2.gz BPQNQGGBLFFKHV-FZMZJTMJSA-N 1 2 271.320 1.756 20 30 CDEDLO C=CCN(C(=O)NCc1[nH+]ccn1C)[C@@H](C)COC ZINC000663975177 412991019 /nfs/dbraw/zinc/99/10/19/412991019.db2.gz ONKXGGONRXOSQY-NSHDSACASA-N 1 2 266.345 1.153 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1nc(CC)c(C)s1 ZINC000192234396 533098771 /nfs/dbraw/zinc/09/87/71/533098771.db2.gz IBFOQPIGBDHBRW-UHFFFAOYSA-N 1 2 251.355 1.517 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1nc(CC)c(C)s1 ZINC000192234396 533098776 /nfs/dbraw/zinc/09/87/76/533098776.db2.gz IBFOQPIGBDHBRW-UHFFFAOYSA-N 1 2 251.355 1.517 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1nnc(CCCC)s1 ZINC000192229110 533099487 /nfs/dbraw/zinc/09/94/87/533099487.db2.gz GYSGPSZPYYAFTD-UHFFFAOYSA-N 1 2 266.370 1.384 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1nnc(CCCC)s1 ZINC000192229110 533099493 /nfs/dbraw/zinc/09/94/93/533099493.db2.gz GYSGPSZPYYAFTD-UHFFFAOYSA-N 1 2 266.370 1.384 20 30 CDEDLO N#CCC[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000574869178 335053425 /nfs/dbraw/zinc/05/34/25/335053425.db2.gz PYGYPGMWJZCXJY-UHFFFAOYSA-N 1 2 263.316 1.666 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](CCC)[C@H](CC)C(=O)OCC)C1=O ZINC000281278031 195176772 /nfs/dbraw/zinc/17/67/72/195176772.db2.gz IKHOHEOQSLFZPA-ZIAGYGMSSA-N 1 2 296.411 1.827 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](CCC)[C@H](CC)C(=O)OCC)C1=O ZINC000281278031 195176775 /nfs/dbraw/zinc/17/67/75/195176775.db2.gz IKHOHEOQSLFZPA-ZIAGYGMSSA-N 1 2 296.411 1.827 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](CCCC)C(=O)OC)C1=O ZINC000281498634 195264758 /nfs/dbraw/zinc/26/47/58/195264758.db2.gz XYDHECRBZJBMCE-CHWSQXEVSA-N 1 2 282.384 1.437 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](CCCC)C(=O)OC)C1=O ZINC000281498634 195264759 /nfs/dbraw/zinc/26/47/59/195264759.db2.gz XYDHECRBZJBMCE-CHWSQXEVSA-N 1 2 282.384 1.437 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccccn1 ZINC001663349632 1172675717 /nfs/dbraw/zinc/67/57/17/1172675717.db2.gz CIWARZWRMZALBW-UHFFFAOYSA-N 1 2 267.760 1.886 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccccn1 ZINC001663349632 1172675721 /nfs/dbraw/zinc/67/57/21/1172675721.db2.gz CIWARZWRMZALBW-UHFFFAOYSA-N 1 2 267.760 1.886 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COCC1CCCC1 ZINC000517748631 260042482 /nfs/dbraw/zinc/04/24/82/260042482.db2.gz ZQMZFGSSUYWDCR-CQSZACIVSA-N 1 2 267.373 1.153 20 30 CDEDLO NC(=[NH+]OCCC1OCCO1)c1cccc(Cl)c1 ZINC000120158018 390865053 /nfs/dbraw/zinc/86/50/53/390865053.db2.gz NSRZAXBWAOZTHN-UHFFFAOYSA-N 1 2 270.716 1.740 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159587326 390940195 /nfs/dbraw/zinc/94/01/95/390940195.db2.gz FGIPMSIFMLRIIQ-KBXCAEBGSA-N 1 2 298.386 1.298 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159587326 390940196 /nfs/dbraw/zinc/94/01/96/390940196.db2.gz FGIPMSIFMLRIIQ-KBXCAEBGSA-N 1 2 298.386 1.298 20 30 CDEDLO CC#CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000525633845 390899185 /nfs/dbraw/zinc/89/91/85/390899185.db2.gz FJELKZXWCANORS-UHFFFAOYSA-N 1 2 260.297 1.135 20 30 CDEDLO C=CCN(C)C(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000410429703 390904822 /nfs/dbraw/zinc/90/48/22/390904822.db2.gz BCWWYCKUSYBMCB-LLVKDONJSA-N 1 2 276.340 1.108 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)cc1O ZINC000188338182 390956813 /nfs/dbraw/zinc/95/68/13/390956813.db2.gz NMIYUOSGWXMNDL-UHFFFAOYSA-N 1 2 285.347 1.432 20 30 CDEDLO N#Cc1ccnc(N2CCn3cc[nH+]c3C2)c1Cl ZINC000236029748 390959385 /nfs/dbraw/zinc/95/93/85/390959385.db2.gz UBHIPVAIHBROFJ-UHFFFAOYSA-N 1 2 259.700 1.823 20 30 CDEDLO Cc1nccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000329609171 391030041 /nfs/dbraw/zinc/03/00/41/391030041.db2.gz NHZKJAUABXFESH-UHFFFAOYSA-N 1 2 298.350 1.548 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000351231706 391059425 /nfs/dbraw/zinc/05/94/25/391059425.db2.gz WJEQEGCXCFVUDF-DGCLKSJQSA-N 1 2 280.393 1.548 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000351231706 391059429 /nfs/dbraw/zinc/05/94/29/391059429.db2.gz WJEQEGCXCFVUDF-DGCLKSJQSA-N 1 2 280.393 1.548 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373844746 391135408 /nfs/dbraw/zinc/13/54/08/391135408.db2.gz PXTWQJJTXGDQCK-YDHLFZDLSA-N 1 2 289.379 1.543 20 30 CDEDLO C#C[C@@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)C(C)C ZINC000374197954 391153513 /nfs/dbraw/zinc/15/35/13/391153513.db2.gz IBNGCTSQZYEXNB-QWHCGFSZSA-N 1 2 274.368 1.577 20 30 CDEDLO COCc1cccc(CO[NH+]=C(N)C(C)(C)NC(C)=O)c1 ZINC000269493777 391249700 /nfs/dbraw/zinc/24/97/00/391249700.db2.gz UPCSGEWUZPEMOL-UHFFFAOYSA-N 1 2 293.367 1.537 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269655569 391254487 /nfs/dbraw/zinc/25/44/87/391254487.db2.gz OLXDEZNHNVDNOC-ZWNOBZJWSA-N 1 2 263.297 1.720 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269655569 391254493 /nfs/dbraw/zinc/25/44/93/391254493.db2.gz OLXDEZNHNVDNOC-ZWNOBZJWSA-N 1 2 263.297 1.720 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000491682175 391208685 /nfs/dbraw/zinc/20/86/85/391208685.db2.gz QDIHCMUOXTWEEJ-GFCCVEGCSA-N 1 2 274.368 1.170 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000491682175 391208687 /nfs/dbraw/zinc/20/86/87/391208687.db2.gz QDIHCMUOXTWEEJ-GFCCVEGCSA-N 1 2 274.368 1.170 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCC[N@@H+]1CCOCC1(C)C)OCC ZINC000339302832 391280833 /nfs/dbraw/zinc/28/08/33/391280833.db2.gz OBFZNKDCAVZHKE-AWEZNQCLSA-N 1 2 298.427 1.585 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCC[N@H+]1CCOCC1(C)C)OCC ZINC000339302832 391280836 /nfs/dbraw/zinc/28/08/36/391280836.db2.gz OBFZNKDCAVZHKE-AWEZNQCLSA-N 1 2 298.427 1.585 20 30 CDEDLO CC#CCNC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000367167969 391408615 /nfs/dbraw/zinc/40/86/15/391408615.db2.gz LDWXIDXUBBKTJE-GFCCVEGCSA-N 1 2 260.341 1.391 20 30 CDEDLO C=CCN1CC[C@@H](N(C)Cc2c[nH+]cn2CC)C1=O ZINC000418050080 391369372 /nfs/dbraw/zinc/36/93/72/391369372.db2.gz VBPYRRNXNKJXGI-CYBMUJFWSA-N 1 2 262.357 1.122 20 30 CDEDLO CC[C@H](F)C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000440518746 391400178 /nfs/dbraw/zinc/40/01/78/391400178.db2.gz VGZQWEQUQZAVDP-LBPRGKRZSA-N 1 2 279.363 1.470 20 30 CDEDLO Cc1cccnc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000328965370 391400404 /nfs/dbraw/zinc/40/04/04/391400404.db2.gz SDTFCOACUNCKQU-JTQLQIEISA-N 1 2 256.309 1.975 20 30 CDEDLO Cc1cccnc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000328965370 391400407 /nfs/dbraw/zinc/40/04/07/391400407.db2.gz SDTFCOACUNCKQU-JTQLQIEISA-N 1 2 256.309 1.975 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCOCC1(C)C ZINC000064248043 391447155 /nfs/dbraw/zinc/44/71/55/391447155.db2.gz ZTYYGZPLUQJDFX-LBPRGKRZSA-N 1 2 267.373 1.105 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCOCC1(C)C ZINC000064248043 391447158 /nfs/dbraw/zinc/44/71/58/391447158.db2.gz ZTYYGZPLUQJDFX-LBPRGKRZSA-N 1 2 267.373 1.105 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cccnc1N(C)C ZINC000330617183 391460245 /nfs/dbraw/zinc/46/02/45/391460245.db2.gz FPMMZGHMAUTTSF-GFCCVEGCSA-N 1 2 292.383 1.173 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cccnc1N(C)C ZINC000330617183 391460247 /nfs/dbraw/zinc/46/02/47/391460247.db2.gz FPMMZGHMAUTTSF-GFCCVEGCSA-N 1 2 292.383 1.173 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCN(C)C[C@H]2c2ccccc2)C1=O ZINC000281960104 391666278 /nfs/dbraw/zinc/66/62/78/391666278.db2.gz KKCMRUWAAGRJSI-SJORKVTESA-N 1 2 299.418 1.762 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(C)C[C@H]2c2ccccc2)C1=O ZINC000281960104 391666281 /nfs/dbraw/zinc/66/62/81/391666281.db2.gz KKCMRUWAAGRJSI-SJORKVTESA-N 1 2 299.418 1.762 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](CCOC)Cc2ccco2)C1=O ZINC000281994547 391668068 /nfs/dbraw/zinc/66/80/68/391668068.db2.gz NBDPQJXALBQWBU-CQSZACIVSA-N 1 2 278.352 1.515 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](CCOC)Cc2ccco2)C1=O ZINC000281994547 391668070 /nfs/dbraw/zinc/66/80/70/391668070.db2.gz NBDPQJXALBQWBU-CQSZACIVSA-N 1 2 278.352 1.515 20 30 CDEDLO C#CC[NH+]1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000286310641 391727052 /nfs/dbraw/zinc/72/70/52/391727052.db2.gz ZDZKLWVVDGGMEL-UHFFFAOYSA-N 1 2 263.272 1.489 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@](C)(CC)C1 ZINC000135590757 391731805 /nfs/dbraw/zinc/73/18/05/391731805.db2.gz HSNBGEUXVDCEIR-CQSZACIVSA-N 1 2 267.373 1.249 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@](C)(CC)C1 ZINC000135590757 391731808 /nfs/dbraw/zinc/73/18/08/391731808.db2.gz HSNBGEUXVDCEIR-CQSZACIVSA-N 1 2 267.373 1.249 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000184306194 391763839 /nfs/dbraw/zinc/76/38/39/391763839.db2.gz UTWDRVKGBWNABG-OAHLLOKOSA-N 1 2 294.420 1.881 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000184306194 391763843 /nfs/dbraw/zinc/76/38/43/391763843.db2.gz UTWDRVKGBWNABG-OAHLLOKOSA-N 1 2 294.420 1.881 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)C1 ZINC000329778359 391777076 /nfs/dbraw/zinc/77/70/76/391777076.db2.gz QAEJPBQOMGRDQV-BYNSBNAKSA-N 1 2 295.427 1.789 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)C1 ZINC000329778359 391777080 /nfs/dbraw/zinc/77/70/80/391777080.db2.gz QAEJPBQOMGRDQV-BYNSBNAKSA-N 1 2 295.427 1.789 20 30 CDEDLO CC[C@]1(O)CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329744634 391768337 /nfs/dbraw/zinc/76/83/37/391768337.db2.gz QUTRKSWCGWGWJE-HZMBPMFUSA-N 1 2 278.356 1.028 20 30 CDEDLO CC[C@]1(O)CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329744634 391768341 /nfs/dbraw/zinc/76/83/41/391768341.db2.gz QUTRKSWCGWGWJE-HZMBPMFUSA-N 1 2 278.356 1.028 20 30 CDEDLO COCC1CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329754909 391771681 /nfs/dbraw/zinc/77/16/81/391771681.db2.gz XRIATUPKTLQOTE-LBPRGKRZSA-N 1 2 292.383 1.539 20 30 CDEDLO COCC1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329754909 391771685 /nfs/dbraw/zinc/77/16/85/391771685.db2.gz XRIATUPKTLQOTE-LBPRGKRZSA-N 1 2 292.383 1.539 20 30 CDEDLO COCC1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329754908 391771909 /nfs/dbraw/zinc/77/19/09/391771909.db2.gz XRIATUPKTLQOTE-GFCCVEGCSA-N 1 2 292.383 1.539 20 30 CDEDLO COCC1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329754908 391771912 /nfs/dbraw/zinc/77/19/12/391771912.db2.gz XRIATUPKTLQOTE-GFCCVEGCSA-N 1 2 292.383 1.539 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCc1ccccc1COCC ZINC000192220105 130396521 /nfs/dbraw/zinc/39/65/21/130396521.db2.gz LZPYKMMGMADSAG-UHFFFAOYSA-N 1 2 274.364 1.404 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCc1ccccc1COCC ZINC000192220105 130396526 /nfs/dbraw/zinc/39/65/26/130396526.db2.gz LZPYKMMGMADSAG-UHFFFAOYSA-N 1 2 274.364 1.404 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCOC[C@]12CCOC2 ZINC000193713513 391946883 /nfs/dbraw/zinc/94/68/83/391946883.db2.gz CWOSIHKMMFUIRW-MRXNPFEDSA-N 1 2 272.348 1.858 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@H+]1CCOC[C@]12CCOC2 ZINC000193713513 391946886 /nfs/dbraw/zinc/94/68/86/391946886.db2.gz CWOSIHKMMFUIRW-MRXNPFEDSA-N 1 2 272.348 1.858 20 30 CDEDLO C#CCNC(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000065576165 392040680 /nfs/dbraw/zinc/04/06/80/392040680.db2.gz HUTZILGPLHPEDI-UHFFFAOYSA-N 1 2 287.363 1.596 20 30 CDEDLO C=CC1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000334391135 392120652 /nfs/dbraw/zinc/12/06/52/392120652.db2.gz UVWBHLBDLZXYBZ-UHFFFAOYSA-N 1 2 266.385 1.522 20 30 CDEDLO CC#CCN(C)C(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645930621 392123025 /nfs/dbraw/zinc/12/30/25/392123025.db2.gz FNOGVFVDIQKUGM-UHFFFAOYSA-N 1 2 284.363 1.850 20 30 CDEDLO CCOC(=O)C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000268632893 132038680 /nfs/dbraw/zinc/03/86/80/132038680.db2.gz CAKSOVBKNUUHSU-HNNXBMFYSA-N 1 2 288.347 1.619 20 30 CDEDLO CCOC(=O)C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000268632893 132038681 /nfs/dbraw/zinc/03/86/81/132038681.db2.gz CAKSOVBKNUUHSU-HNNXBMFYSA-N 1 2 288.347 1.619 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000268647987 132041636 /nfs/dbraw/zinc/04/16/36/132041636.db2.gz FWVDNUSPJHUJBU-DZGCQCFKSA-N 1 2 292.310 1.179 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000268647987 132041638 /nfs/dbraw/zinc/04/16/38/132041638.db2.gz FWVDNUSPJHUJBU-DZGCQCFKSA-N 1 2 292.310 1.179 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1nc2ccccc2o1 ZINC000269318969 132154791 /nfs/dbraw/zinc/15/47/91/132154791.db2.gz LOSBYKQSTDLTLG-LLVKDONJSA-N 1 2 271.320 1.398 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1nc2ccccc2o1 ZINC000269318969 132154793 /nfs/dbraw/zinc/15/47/93/132154793.db2.gz LOSBYKQSTDLTLG-LLVKDONJSA-N 1 2 271.320 1.398 20 30 CDEDLO Cc1ccncc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000269455494 132173311 /nfs/dbraw/zinc/17/33/11/132173311.db2.gz QERNMJFVIKOOSQ-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO Cc1cc(N2CCC(NC(=O)C3CC3)CC2)c(C#N)c[nH+]1 ZINC000425209939 392994054 /nfs/dbraw/zinc/99/40/54/392994054.db2.gz SQWKTPGOQBMBQH-UHFFFAOYSA-N 1 2 284.363 1.757 20 30 CDEDLO Cc1cc(N2CCC[C@H](CCC(N)=O)C2)c(C#N)c[nH+]1 ZINC000425222799 392995276 /nfs/dbraw/zinc/99/52/76/392995276.db2.gz JBMWXCKIGJMMAL-GFCCVEGCSA-N 1 2 272.352 1.744 20 30 CDEDLO COCCO[C@@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425254050 393007302 /nfs/dbraw/zinc/00/73/02/393007302.db2.gz LAULVZDXOUEIGK-CYBMUJFWSA-N 1 2 261.325 1.503 20 30 CDEDLO COc1cc[nH+]cc1CNc1ccc(C#N)c(C)n1 ZINC000431426369 393108872 /nfs/dbraw/zinc/10/88/72/393108872.db2.gz GZARSYRXEWDWKZ-UHFFFAOYSA-N 1 2 254.293 1.699 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)Nc1cccc(C#N)c1 ZINC000188417005 140094276 /nfs/dbraw/zinc/09/42/76/140094276.db2.gz UTVWHAYBNNADFF-UHFFFAOYSA-N 1 2 254.293 1.863 20 30 CDEDLO CC(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000228260693 140193138 /nfs/dbraw/zinc/19/31/38/140193138.db2.gz AKNUJJVXROJAPX-ZDUSSCGKSA-N 1 2 261.300 1.408 20 30 CDEDLO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000228260693 140193139 /nfs/dbraw/zinc/19/31/39/140193139.db2.gz AKNUJJVXROJAPX-ZDUSSCGKSA-N 1 2 261.300 1.408 20 30 CDEDLO C=C(C)CCNC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657987698 413122327 /nfs/dbraw/zinc/12/23/27/413122327.db2.gz STFPYTFTBMAANJ-UHFFFAOYSA-N 1 2 286.335 1.664 20 30 CDEDLO C[N@H+](Cc1cn2ccccc2c1C#N)[C@@H]1CCCCNC1=O ZINC000105613866 147222647 /nfs/dbraw/zinc/22/26/47/147222647.db2.gz NGBKOCMXMORDLV-MRXNPFEDSA-N 1 2 296.374 1.911 20 30 CDEDLO C[N@@H+](Cc1cn2ccccc2c1C#N)[C@@H]1CCCCNC1=O ZINC000105613866 147222653 /nfs/dbraw/zinc/22/26/53/147222653.db2.gz NGBKOCMXMORDLV-MRXNPFEDSA-N 1 2 296.374 1.911 20 30 CDEDLO N#Cc1cc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c[nH]1 ZINC000335785968 151018507 /nfs/dbraw/zinc/01/85/07/151018507.db2.gz FPTZPYALCXEOHY-LLVKDONJSA-N 1 2 255.281 1.587 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNc2snc(C)c2C#N)CCO1 ZINC000343107328 152034430 /nfs/dbraw/zinc/03/44/30/152034430.db2.gz QTPOTMMSMOCNRA-LLVKDONJSA-N 1 2 280.397 1.846 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNc2snc(C)c2C#N)CCO1 ZINC000343107328 152034431 /nfs/dbraw/zinc/03/44/31/152034431.db2.gz QTPOTMMSMOCNRA-LLVKDONJSA-N 1 2 280.397 1.846 20 30 CDEDLO N#Cc1ccc2ncc(C[N@@H+]3CCO[C@@H]4CCC[C@H]43)n2c1 ZINC000372442600 160121867 /nfs/dbraw/zinc/12/18/67/160121867.db2.gz SWQHKWHXHVOWTN-HUUCEWRRSA-N 1 2 282.347 1.959 20 30 CDEDLO N#Cc1ccc2ncc(C[N@H+]3CCO[C@@H]4CCC[C@H]43)n2c1 ZINC000372442600 160121868 /nfs/dbraw/zinc/12/18/68/160121868.db2.gz SWQHKWHXHVOWTN-HUUCEWRRSA-N 1 2 282.347 1.959 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc1 ZINC000374374614 160280060 /nfs/dbraw/zinc/28/00/60/160280060.db2.gz NJMRUJUEIDODEP-MRXNPFEDSA-N 1 2 292.342 1.740 20 30 CDEDLO C=CCN1CC[C@H]([NH2+][C@@H](C)c2c(F)cncc2F)C1=O ZINC000285631825 196350397 /nfs/dbraw/zinc/35/03/97/196350397.db2.gz KVPOHCDRNBVMIR-CABZTGNLSA-N 1 2 281.306 1.797 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2c2nc(C)no2)C1=O ZINC000285728765 196379889 /nfs/dbraw/zinc/37/98/89/196379889.db2.gz QOACFFMHDQSIJT-STQMWFEESA-N 1 2 290.367 1.692 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2c2nc(C)no2)C1=O ZINC000285728765 196379890 /nfs/dbraw/zinc/37/98/90/196379890.db2.gz QOACFFMHDQSIJT-STQMWFEESA-N 1 2 290.367 1.692 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2cnccc2OC)nn1 ZINC000657474071 414370419 /nfs/dbraw/zinc/37/04/19/414370419.db2.gz ZFTGTTXXJZGZHO-UHFFFAOYSA-N 1 2 273.340 1.548 20 30 CDEDLO N#CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000336611508 227179928 /nfs/dbraw/zinc/17/99/28/227179928.db2.gz RZDYSYRWLHRFBM-LBPRGKRZSA-N 1 2 272.352 1.740 20 30 CDEDLO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1(S(C)(=O)=O)CC1 ZINC000329977620 228004669 /nfs/dbraw/zinc/00/46/69/228004669.db2.gz GHSPATXOCLELAO-MWLCHTKSSA-N 1 2 286.397 1.003 20 30 CDEDLO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1(S(C)(=O)=O)CC1 ZINC000329977620 228004671 /nfs/dbraw/zinc/00/46/71/228004671.db2.gz GHSPATXOCLELAO-MWLCHTKSSA-N 1 2 286.397 1.003 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCCSC1 ZINC000330120177 228043579 /nfs/dbraw/zinc/04/35/79/228043579.db2.gz IUGPGBPJDLGHKS-VXGBXAGGSA-N 1 2 287.429 1.106 20 30 CDEDLO [O-]C(N[C@H]1CC[C@H](O)CC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330181704 228058250 /nfs/dbraw/zinc/05/82/50/228058250.db2.gz GUTFDLIWVSGQBI-SRVKXCTJSA-N 1 2 278.356 1.005 20 30 CDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+][C@H]1CC[C@H](O)CC1 ZINC000330181704 228058252 /nfs/dbraw/zinc/05/82/52/228058252.db2.gz GUTFDLIWVSGQBI-SRVKXCTJSA-N 1 2 278.356 1.005 20 30 CDEDLO [O-]C(NCC1CCSCC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330188009 228060253 /nfs/dbraw/zinc/06/02/53/228060253.db2.gz KVXSNWRRFDSPAZ-GFCCVEGCSA-N 1 2 294.424 1.845 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]CC1CCSCC1 ZINC000330188009 228060256 /nfs/dbraw/zinc/06/02/56/228060256.db2.gz KVXSNWRRFDSPAZ-GFCCVEGCSA-N 1 2 294.424 1.845 20 30 CDEDLO CC[C@H](CC(F)(F)F)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000517747984 260035866 /nfs/dbraw/zinc/03/58/66/260035866.db2.gz NDIHIHDBXRJWSB-MWLCHTKSSA-N 1 2 279.306 1.925 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000049001001 260202898 /nfs/dbraw/zinc/20/28/98/260202898.db2.gz DNBZQAFHCMQEEB-RYUDHWBXSA-N 1 2 277.343 1.922 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000049001001 260202899 /nfs/dbraw/zinc/20/28/99/260202899.db2.gz DNBZQAFHCMQEEB-RYUDHWBXSA-N 1 2 277.343 1.922 20 30 CDEDLO C#CCN(C(=O)c1ccc(-n2cc[nH+]c2)nn1)C1CCCC1 ZINC000490804102 261212645 /nfs/dbraw/zinc/21/26/45/261212645.db2.gz RSGHNXHXMYCLID-UHFFFAOYSA-N 1 2 295.346 1.680 20 30 CDEDLO CCN(CC)C(=O)CO[NH+]=C(N)c1ccc(OC)cc1 ZINC000177555448 261705691 /nfs/dbraw/zinc/70/56/91/261705691.db2.gz PDXQOJJOUJERHD-UHFFFAOYSA-N 1 2 279.340 1.201 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000491778992 262037381 /nfs/dbraw/zinc/03/73/81/262037381.db2.gz ZACWKMALPKWPSX-OAHLLOKOSA-N 1 2 270.307 1.499 20 30 CDEDLO N#CCC[N@H+]1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000497265380 262128953 /nfs/dbraw/zinc/12/89/53/262128953.db2.gz OKYNVIFFORMKRL-GFCCVEGCSA-N 1 2 251.330 1.643 20 30 CDEDLO N#CCC[N@@H+]1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000497265380 262128955 /nfs/dbraw/zinc/12/89/55/262128955.db2.gz OKYNVIFFORMKRL-GFCCVEGCSA-N 1 2 251.330 1.643 20 30 CDEDLO NC(=[NH+]OCC1OCCO1)c1cccc(C(F)(F)F)c1 ZINC000191991132 262197591 /nfs/dbraw/zinc/19/75/91/262197591.db2.gz BYLLDQWAHGKXEM-UHFFFAOYSA-N 1 2 290.241 1.715 20 30 CDEDLO CC(C)=CCN(CCC#N)CC[NH+]1CCOCC1 ZINC000160863361 262302636 /nfs/dbraw/zinc/30/26/36/262302636.db2.gz PRCGHPWMCRGMBY-UHFFFAOYSA-N 1 2 251.374 1.500 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000336799933 262397173 /nfs/dbraw/zinc/39/71/73/262397173.db2.gz KLOQNXAAIUOJMV-ZJUUUORDSA-N 1 2 277.290 1.631 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000336799933 262397174 /nfs/dbraw/zinc/39/71/74/262397174.db2.gz KLOQNXAAIUOJMV-ZJUUUORDSA-N 1 2 277.290 1.631 20 30 CDEDLO CN(CC#N)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000337540370 262456474 /nfs/dbraw/zinc/45/64/74/262456474.db2.gz KCHBOTDQBFXRFV-UHFFFAOYSA-N 1 2 254.293 1.527 20 30 CDEDLO COC(=O)CSCC/[NH+]=C/c1cc(OC)ccc1O ZINC000264326419 262887516 /nfs/dbraw/zinc/88/75/16/262887516.db2.gz OOUWCXNEAKKOBI-RIYZIHGNSA-N 1 2 283.349 1.726 20 30 CDEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(CC#N)CC2)cs1 ZINC000267691880 262940312 /nfs/dbraw/zinc/94/03/12/262940312.db2.gz HSBOSOJUVPSUFU-LBPRGKRZSA-N 1 2 294.424 1.882 20 30 CDEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(CC#N)CC2)cs1 ZINC000267691880 262940313 /nfs/dbraw/zinc/94/03/13/262940313.db2.gz HSBOSOJUVPSUFU-LBPRGKRZSA-N 1 2 294.424 1.882 20 30 CDEDLO C[C@H](C#N)CN(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000270056513 262981045 /nfs/dbraw/zinc/98/10/45/262981045.db2.gz JTPSSVVKHIRUJP-CHWSQXEVSA-N 1 2 287.367 1.461 20 30 CDEDLO N#CCN1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000271148675 262993876 /nfs/dbraw/zinc/99/38/76/262993876.db2.gz JDIUFJGBEZAOLL-ZDUSSCGKSA-N 1 2 292.408 1.636 20 30 CDEDLO Cn1nccc1CC[N@H+](CCC#N)Cc1ccco1 ZINC000276255371 263035309 /nfs/dbraw/zinc/03/53/09/263035309.db2.gz AFXRWHIVVPPDQR-UHFFFAOYSA-N 1 2 258.325 1.971 20 30 CDEDLO Cn1nccc1CC[N@@H+](CCC#N)Cc1ccco1 ZINC000276255371 263035310 /nfs/dbraw/zinc/03/53/10/263035310.db2.gz AFXRWHIVVPPDQR-UHFFFAOYSA-N 1 2 258.325 1.971 20 30 CDEDLO N#CCCN1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000280776989 263064496 /nfs/dbraw/zinc/06/44/96/263064496.db2.gz HSWRPJSOTPAMKR-CVEARBPZSA-N 1 2 271.364 1.485 20 30 CDEDLO N#CCCN1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000280776989 263064497 /nfs/dbraw/zinc/06/44/97/263064497.db2.gz HSWRPJSOTPAMKR-CVEARBPZSA-N 1 2 271.364 1.485 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000120461397 263284318 /nfs/dbraw/zinc/28/43/18/263284318.db2.gz ACJZIZSULVBTNN-QWHCGFSZSA-N 1 2 289.383 1.397 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000120461397 263284319 /nfs/dbraw/zinc/28/43/19/263284319.db2.gz ACJZIZSULVBTNN-QWHCGFSZSA-N 1 2 289.383 1.397 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000120961680 263290334 /nfs/dbraw/zinc/29/03/34/263290334.db2.gz GFHFOQIRBHEAFA-RWMBFGLXSA-N 1 2 267.373 1.104 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000120961680 263290335 /nfs/dbraw/zinc/29/03/35/263290335.db2.gz GFHFOQIRBHEAFA-RWMBFGLXSA-N 1 2 267.373 1.104 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000121622026 263297911 /nfs/dbraw/zinc/29/79/11/263297911.db2.gz NYICCPUQLSIDHW-UHFFFAOYSA-N 1 2 293.279 1.380 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000121622026 263297912 /nfs/dbraw/zinc/29/79/12/263297912.db2.gz NYICCPUQLSIDHW-UHFFFAOYSA-N 1 2 293.279 1.380 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000341852160 263359644 /nfs/dbraw/zinc/35/96/44/263359644.db2.gz JAAFEQKPNIRAJU-ZDUSSCGKSA-N 1 2 288.351 1.318 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2cnc(OC)nc2C)CC1 ZINC000341992300 263382035 /nfs/dbraw/zinc/38/20/35/263382035.db2.gz PMPFGBAHKGMFAU-UHFFFAOYSA-N 1 2 290.367 1.546 20 30 CDEDLO Cc1cnc([C@H](C)[N@H+](C)CCNC(=O)N(C)C)o1 ZINC000330697344 264005518 /nfs/dbraw/zinc/00/55/18/264005518.db2.gz KNULGWVHSOVNRA-JTQLQIEISA-N 1 2 254.334 1.451 20 30 CDEDLO Cc1cnc([C@H](C)[N@@H+](C)CCNC(=O)N(C)C)o1 ZINC000330697344 264005521 /nfs/dbraw/zinc/00/55/21/264005521.db2.gz KNULGWVHSOVNRA-JTQLQIEISA-N 1 2 254.334 1.451 20 30 CDEDLO CCn1nccc1NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000330678113 264014953 /nfs/dbraw/zinc/01/49/53/264014953.db2.gz CBVZNXKQKJUGDL-VXGBXAGGSA-N 1 2 295.387 1.338 20 30 CDEDLO CC(C)(CNC(=O)NCCC(F)(F)F)[NH+]1CCOCC1 ZINC000330935554 264080607 /nfs/dbraw/zinc/08/06/07/264080607.db2.gz NULLYIZFSAAROV-UHFFFAOYSA-N 1 2 297.321 1.553 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425499973 264362780 /nfs/dbraw/zinc/36/27/80/264362780.db2.gz KROVZIAZILNIDQ-CHWSQXEVSA-N 1 2 258.329 1.359 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425499973 264362782 /nfs/dbraw/zinc/36/27/82/264362782.db2.gz KROVZIAZILNIDQ-CHWSQXEVSA-N 1 2 258.329 1.359 20 30 CDEDLO CC[C@@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000424963549 264399120 /nfs/dbraw/zinc/39/91/20/264399120.db2.gz DKKXESCFQWTLFA-XGUBFFRZSA-N 1 2 293.411 1.684 20 30 CDEDLO CC[C@@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)[N@H+]1CCO[C@@H](CC)C1 ZINC000424963549 264399121 /nfs/dbraw/zinc/39/91/21/264399121.db2.gz DKKXESCFQWTLFA-XGUBFFRZSA-N 1 2 293.411 1.684 20 30 CDEDLO COc1ccc([C@H](CO)[N@H+](C)CC2(C#N)CC2)cc1 ZINC000343297075 264432124 /nfs/dbraw/zinc/43/21/24/264432124.db2.gz AYSIDXRSDUYIKH-AWEZNQCLSA-N 1 2 260.337 1.964 20 30 CDEDLO COc1ccc([C@H](CO)[N@@H+](C)CC2(C#N)CC2)cc1 ZINC000343297075 264432126 /nfs/dbraw/zinc/43/21/26/264432126.db2.gz AYSIDXRSDUYIKH-AWEZNQCLSA-N 1 2 260.337 1.964 20 30 CDEDLO CC(C)(CCC#N)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000360412493 266714016 /nfs/dbraw/zinc/71/40/16/266714016.db2.gz UOQZDLIVSLWJIH-GFCCVEGCSA-N 1 2 274.368 1.892 20 30 CDEDLO N#CCCCCNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000368992756 267216914 /nfs/dbraw/zinc/21/69/14/267216914.db2.gz NXMYJRBWGVDRHL-UHFFFAOYSA-N 1 2 298.350 1.760 20 30 CDEDLO CN(CCC#N)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117765880 267221597 /nfs/dbraw/zinc/22/15/97/267221597.db2.gz VNNASLDELLFWRO-UHFFFAOYSA-N 1 2 254.293 1.858 20 30 CDEDLO C=CC[N@@H+](CC(=O)NC(=O)NCC)Cc1cccs1 ZINC000019540539 267237953 /nfs/dbraw/zinc/23/79/53/267237953.db2.gz ZJMCBESGMJZJDT-UHFFFAOYSA-N 1 2 281.381 1.582 20 30 CDEDLO C=CC[N@H+](CC(=O)NC(=O)NCC)Cc1cccs1 ZINC000019540539 267237955 /nfs/dbraw/zinc/23/79/55/267237955.db2.gz ZJMCBESGMJZJDT-UHFFFAOYSA-N 1 2 281.381 1.582 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H]1CCc2ccccc2NC1=O ZINC000299280723 275380890 /nfs/dbraw/zinc/38/08/90/275380890.db2.gz NATIUKFHLIKNDZ-OAHLLOKOSA-N 1 2 252.317 1.508 20 30 CDEDLO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000442659814 288070316 /nfs/dbraw/zinc/07/03/16/288070316.db2.gz WHCNFKKWVLOTPB-SNVBAGLBSA-N 1 2 259.309 1.040 20 30 CDEDLO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000442659814 288070318 /nfs/dbraw/zinc/07/03/18/288070318.db2.gz WHCNFKKWVLOTPB-SNVBAGLBSA-N 1 2 259.309 1.040 20 30 CDEDLO CC(C)C[C@H]1COCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000113941287 279220452 /nfs/dbraw/zinc/22/04/52/279220452.db2.gz ASDJYSNLOCIHPX-HOCLYGCPSA-N 1 2 295.427 1.788 20 30 CDEDLO CC(C)C[C@H]1COCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000113941287 279220449 /nfs/dbraw/zinc/22/04/49/279220449.db2.gz ASDJYSNLOCIHPX-HOCLYGCPSA-N 1 2 295.427 1.788 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352490025 280100807 /nfs/dbraw/zinc/10/08/07/280100807.db2.gz FWUKSICNWKRYSO-CYBMUJFWSA-N 1 2 280.347 1.369 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)s1 ZINC000548887073 289943460 /nfs/dbraw/zinc/94/34/60/289943460.db2.gz CSFFHJDNNGKLPL-CYBMUJFWSA-N 1 2 298.371 1.801 20 30 CDEDLO Cc1ncc(C[NH+]2CCN(c3cnccc3C#N)CC2)cn1 ZINC000572817764 294695232 /nfs/dbraw/zinc/69/52/32/294695232.db2.gz KTPHASORTFVSFS-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO N#Cc1ccc2c(c1)N(C(=O)[C@H]1CCc3c[nH+]cn3C1)CC2 ZINC000574639713 295032123 /nfs/dbraw/zinc/03/21/23/295032123.db2.gz CXOCFVIQYFHPLF-AWEZNQCLSA-N 1 2 292.342 1.906 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCOC[C@@H]1C1CC1 ZINC000329720606 295384830 /nfs/dbraw/zinc/38/48/30/295384830.db2.gz DQGSTRIDFBYGGO-BXUZGUMPSA-N 1 2 290.367 1.292 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCOC[C@@H]1C1CC1 ZINC000329720606 295384831 /nfs/dbraw/zinc/38/48/31/295384831.db2.gz DQGSTRIDFBYGGO-BXUZGUMPSA-N 1 2 290.367 1.292 20 30 CDEDLO N#CC1(NC(=O)c2ccc3[nH+]ccn3c2)CCOCC1 ZINC000172244229 327764214 /nfs/dbraw/zinc/76/42/14/327764214.db2.gz IWFWREJPLSATOK-UHFFFAOYSA-N 1 2 270.292 1.137 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+](CC(=O)OC)Cc1ccccc1 ZINC000531613765 328019367 /nfs/dbraw/zinc/01/93/67/328019367.db2.gz LJVBDOMECORPDI-HNNXBMFYSA-N 1 2 277.364 1.989 20 30 CDEDLO C=CCC[C@H](O)C[N@H+](CC(=O)OC)Cc1ccccc1 ZINC000531613765 328019369 /nfs/dbraw/zinc/01/93/69/328019369.db2.gz LJVBDOMECORPDI-HNNXBMFYSA-N 1 2 277.364 1.989 20 30 CDEDLO C[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC2(CCC2)O1 ZINC000577060513 317257423 /nfs/dbraw/zinc/25/74/23/317257423.db2.gz MSDXCTFUABMAFI-IUODEOHRSA-N 1 2 299.374 1.728 20 30 CDEDLO C[C@@H]1C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC2(CCC2)O1 ZINC000577060513 317257426 /nfs/dbraw/zinc/25/74/26/317257426.db2.gz MSDXCTFUABMAFI-IUODEOHRSA-N 1 2 299.374 1.728 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1noc(-c2cncc(C)c2)n1 ZINC000571494571 328125345 /nfs/dbraw/zinc/12/53/45/328125345.db2.gz DMRUYIVUBYEEEZ-OLZOCXBDSA-N 1 2 286.335 1.873 20 30 CDEDLO COc1ccc(CC(N)=[NH+]OCc2nnc(C)s2)cc1 ZINC000271553367 328196672 /nfs/dbraw/zinc/19/66/72/328196672.db2.gz SLIWVMYVNHRKPF-UHFFFAOYSA-N 1 2 292.364 1.887 20 30 CDEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)NCC#N ZINC000175384036 329165241 /nfs/dbraw/zinc/16/52/41/329165241.db2.gz IIFKZZUHYXQTBP-BIBXISHDSA-N 1 2 293.392 1.057 20 30 CDEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)NCC#N ZINC000175384036 329165242 /nfs/dbraw/zinc/16/52/42/329165242.db2.gz IIFKZZUHYXQTBP-BIBXISHDSA-N 1 2 293.392 1.057 20 30 CDEDLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000185112221 323381805 /nfs/dbraw/zinc/38/18/05/323381805.db2.gz OCTKQHFEBUASPT-MLCYQJTMSA-N 1 2 268.357 1.896 20 30 CDEDLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000185112221 323381807 /nfs/dbraw/zinc/38/18/07/323381807.db2.gz OCTKQHFEBUASPT-MLCYQJTMSA-N 1 2 268.357 1.896 20 30 CDEDLO N#Cc1cc2c(nc1NCCCCn1cc[nH+]c1)CCOC2 ZINC000579075754 324095065 /nfs/dbraw/zinc/09/50/65/324095065.db2.gz CLAVUWUVJFBSBO-UHFFFAOYSA-N 1 2 297.362 1.537 20 30 CDEDLO Cc1cc(N[C@@H]([C@@H](CO)C2CC2)C2CC2)c(C#N)c[nH+]1 ZINC000582721870 325030480 /nfs/dbraw/zinc/03/04/80/325030480.db2.gz VIDVBEXJCRXEQL-GOEBONIOSA-N 1 2 271.364 1.893 20 30 CDEDLO N#Cc1cncc(N2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000583627707 325210270 /nfs/dbraw/zinc/21/02/70/325210270.db2.gz VMYXBJGRGCPJNL-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO CNC(=O)c1cccc(C[NH2+]C[C@@H](C#N)CCC#N)c1 ZINC000558506934 327099636 /nfs/dbraw/zinc/09/96/36/327099636.db2.gz ZBTQRAILDFVIKJ-CYBMUJFWSA-N 1 2 270.336 1.579 20 30 CDEDLO C#CCCCNC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000377869196 329032431 /nfs/dbraw/zinc/03/24/31/329032431.db2.gz BPLWDDKSEOYOCG-AWEZNQCLSA-N 1 2 271.364 1.828 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000175916826 329171164 /nfs/dbraw/zinc/17/11/64/329171164.db2.gz GWNBVNBKGVTKJI-HUUCEWRRSA-N 1 2 291.395 1.107 20 30 CDEDLO N#CCSCC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000179582304 329210268 /nfs/dbraw/zinc/21/02/68/329210268.db2.gz LEKSCHFRTLMAEM-UHFFFAOYSA-N 1 2 286.360 1.745 20 30 CDEDLO C=CC[N@@H+](C[C@H]1CCC(C)(C)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000184655437 329261913 /nfs/dbraw/zinc/26/19/13/329261913.db2.gz OHXLUHZQAQTVHL-CHWSQXEVSA-N 1 2 287.425 1.619 20 30 CDEDLO C=CC[N@H+](C[C@H]1CCC(C)(C)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000184655437 329261915 /nfs/dbraw/zinc/26/19/15/329261915.db2.gz OHXLUHZQAQTVHL-CHWSQXEVSA-N 1 2 287.425 1.619 20 30 CDEDLO Cc1ccc(F)cc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000572092255 329943390 /nfs/dbraw/zinc/94/33/90/329943390.db2.gz ZSOIVFYQMKWNBA-CQSZACIVSA-N 1 2 263.316 1.708 20 30 CDEDLO Cn1nc(C(C)(C)C)cc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000572094879 329943605 /nfs/dbraw/zinc/94/36/05/329943605.db2.gz SREFIVVEEHXWPW-HNNXBMFYSA-N 1 2 291.399 1.291 20 30 CDEDLO C#CCN(C(=O)c1ccnc(-n2cc[nH+]c2)c1)C1CC1 ZINC000274154908 330103555 /nfs/dbraw/zinc/10/35/55/330103555.db2.gz ZTZGZOPLXQXWDX-UHFFFAOYSA-N 1 2 266.304 1.505 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccn1 ZINC000451376805 331026286 /nfs/dbraw/zinc/02/62/86/331026286.db2.gz MNRAZBHOUQWESA-CZUORRHYSA-N 1 2 288.395 1.956 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccn1 ZINC000451376805 331026287 /nfs/dbraw/zinc/02/62/87/331026287.db2.gz MNRAZBHOUQWESA-CZUORRHYSA-N 1 2 288.395 1.956 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc(CCCC)no1 ZINC000451603007 331036109 /nfs/dbraw/zinc/03/61/09/331036109.db2.gz YGHSJGAVZIVNIP-MNOVXSKESA-N 1 2 251.330 1.845 20 30 CDEDLO CCN(CCC#N)S(=O)(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000451926655 331047437 /nfs/dbraw/zinc/04/74/37/331047437.db2.gz ITWVYCYJMDCYHQ-LLVKDONJSA-N 1 2 299.400 1.034 20 30 CDEDLO C=CCCS(=O)(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000451934758 331047528 /nfs/dbraw/zinc/04/75/28/331047528.db2.gz WPLYUOZWPDTWQD-JTQLQIEISA-N 1 2 257.359 1.460 20 30 CDEDLO Cc1cc(C)c(CNS(=O)(=O)N(C)C[C@@H](C)C#N)c[nH+]1 ZINC000452040208 331051530 /nfs/dbraw/zinc/05/15/30/331051530.db2.gz JGBRJFAIGYPGBA-JTQLQIEISA-N 1 2 296.396 1.124 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456355586 331190755 /nfs/dbraw/zinc/19/07/55/331190755.db2.gz ATLQMAGNANCQKJ-IJLUTSLNSA-N 1 2 263.341 1.986 20 30 CDEDLO N#CCCCCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000488557911 332017368 /nfs/dbraw/zinc/01/73/68/332017368.db2.gz GBDNUUCXJBDWFC-LLVKDONJSA-N 1 2 261.329 1.191 20 30 CDEDLO C=CCn1cccc1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000488879081 332031542 /nfs/dbraw/zinc/03/15/42/332031542.db2.gz RKMUVCHDMHLYRK-UONOGXRCSA-N 1 2 291.395 1.513 20 30 CDEDLO C#CC(C)(C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000490656890 332100763 /nfs/dbraw/zinc/10/07/63/332100763.db2.gz NVAHIRBYWFOCSA-UHFFFAOYSA-N 1 2 255.321 1.713 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2cc(F)ccc2C)CC1 ZINC000490715087 332107796 /nfs/dbraw/zinc/10/77/96/332107796.db2.gz UCVVNHAXGVTBRP-UHFFFAOYSA-N 1 2 290.338 1.290 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cc(-c2cccnc2)n[nH]1 ZINC000490900197 332127954 /nfs/dbraw/zinc/12/79/54/332127954.db2.gz UDDNRDBROXEKQV-UHFFFAOYSA-N 1 2 264.332 1.930 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cc(-c2cccnc2)n[nH]1 ZINC000490900197 332127956 /nfs/dbraw/zinc/12/79/56/332127956.db2.gz UDDNRDBROXEKQV-UHFFFAOYSA-N 1 2 264.332 1.930 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000491264281 332176423 /nfs/dbraw/zinc/17/64/23/332176423.db2.gz FQHCIRCWFKYNEI-UONOGXRCSA-N 1 2 286.350 1.960 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCO2)C1CC1 ZINC000491352237 332195747 /nfs/dbraw/zinc/19/57/47/332195747.db2.gz YLJIFKXOVFHNOA-UHFFFAOYSA-N 1 2 272.304 1.451 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)C1CC1 ZINC000491352237 332195748 /nfs/dbraw/zinc/19/57/48/332195748.db2.gz YLJIFKXOVFHNOA-UHFFFAOYSA-N 1 2 272.304 1.451 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000491616137 332243454 /nfs/dbraw/zinc/24/34/54/332243454.db2.gz AHIAWQFEHXRXJU-CQSZACIVSA-N 1 2 283.331 1.221 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000491616137 332243455 /nfs/dbraw/zinc/24/34/55/332243455.db2.gz AHIAWQFEHXRXJU-CQSZACIVSA-N 1 2 283.331 1.221 20 30 CDEDLO C#CC[N@@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000491625275 332249215 /nfs/dbraw/zinc/24/92/15/332249215.db2.gz LJPFYUABDAXGEX-LLVKDONJSA-N 1 2 288.313 1.885 20 30 CDEDLO C#CC[N@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000491625275 332249217 /nfs/dbraw/zinc/24/92/17/332249217.db2.gz LJPFYUABDAXGEX-LLVKDONJSA-N 1 2 288.313 1.885 20 30 CDEDLO C#C[C@H]1COCCN1C(=O)Nc1c(C)cc[nH+]c1C ZINC000491702839 332296948 /nfs/dbraw/zinc/29/69/48/332296948.db2.gz HBXPAULCXMFOJO-LBPRGKRZSA-N 1 2 259.309 1.564 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000491765758 332334071 /nfs/dbraw/zinc/33/40/71/332334071.db2.gz CQEJVRXCBRCPKL-LBPRGKRZSA-N 1 2 296.330 1.291 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000491765827 332334224 /nfs/dbraw/zinc/33/42/24/332334224.db2.gz FVCDUDDNKHRCCG-LBPRGKRZSA-N 1 2 268.320 1.799 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000491769819 332336740 /nfs/dbraw/zinc/33/67/40/332336740.db2.gz OGBPYIGOLFCZTC-RISCZKNCSA-N 1 2 281.377 1.077 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000491769819 332336741 /nfs/dbraw/zinc/33/67/41/332336741.db2.gz OGBPYIGOLFCZTC-RISCZKNCSA-N 1 2 281.377 1.077 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)NCCC)n1 ZINC000491771870 332338393 /nfs/dbraw/zinc/33/83/93/332338393.db2.gz PEUUPDIOCMBLRC-ZDUSSCGKSA-N 1 2 276.384 1.253 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)NCCC)n1 ZINC000491771870 332338394 /nfs/dbraw/zinc/33/83/94/332338394.db2.gz PEUUPDIOCMBLRC-ZDUSSCGKSA-N 1 2 276.384 1.253 20 30 CDEDLO C#C[C@H]1COCCN1Cc1c[nH+]c2cccc(C)n12 ZINC000491819733 332369654 /nfs/dbraw/zinc/36/96/54/332369654.db2.gz VNEUPNIJJBROJK-ZDUSSCGKSA-N 1 2 255.321 1.477 20 30 CDEDLO COc1cccc(/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000493061530 332424876 /nfs/dbraw/zinc/42/48/76/332424876.db2.gz ZKPCILREQGCFHE-ROJDOSBLSA-N 1 2 287.363 1.668 20 30 CDEDLO COc1ccc(/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C)nc1 ZINC000493145302 332428117 /nfs/dbraw/zinc/42/81/17/332428117.db2.gz FVDRXOBEZXFXGO-VFADXPBXSA-N 1 2 288.351 1.063 20 30 CDEDLO CN(C)C(=O)COc1ccccc1C[NH2+]CC1(C#N)CC1 ZINC000575736683 335110155 /nfs/dbraw/zinc/11/01/55/335110155.db2.gz BLAUAIFQQLWPKE-UHFFFAOYSA-N 1 2 287.363 1.547 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000192228406 333232942 /nfs/dbraw/zinc/23/29/42/333232942.db2.gz RSPVFHLKZSFBGB-UHFFFAOYSA-N 1 2 277.280 1.107 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000192228406 333232944 /nfs/dbraw/zinc/23/29/44/333232944.db2.gz RSPVFHLKZSFBGB-UHFFFAOYSA-N 1 2 277.280 1.107 20 30 CDEDLO Cc1nnc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)o1 ZINC000543541796 333879742 /nfs/dbraw/zinc/87/97/42/333879742.db2.gz ROVAIUHEBFKJBI-BFVZDQMLSA-N 1 2 293.371 1.472 20 30 CDEDLO N#CCCN(CC1CC1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000553498801 334388746 /nfs/dbraw/zinc/38/87/46/334388746.db2.gz TVDBTMPZTQTEFT-ZDUSSCGKSA-N 1 2 272.352 1.598 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000565171204 334542498 /nfs/dbraw/zinc/54/24/98/334542498.db2.gz MHXXBRRHDOPEKM-YNEHKIRRSA-N 1 2 294.399 1.673 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000565209020 334545062 /nfs/dbraw/zinc/54/50/62/334545062.db2.gz MOHGWMBMQZYDSJ-CYBMUJFWSA-N 1 2 273.336 1.700 20 30 CDEDLO C[C@H]1C[NH+](CCSc2nnc(CC#N)n2C)C[C@H](C)O1 ZINC000565241089 334547539 /nfs/dbraw/zinc/54/75/39/334547539.db2.gz PUEZSQYZRFDWEU-QWRGUYRKSA-N 1 2 295.412 1.082 20 30 CDEDLO C=CCSCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000565601947 334578440 /nfs/dbraw/zinc/57/84/40/334578440.db2.gz ATCISMADLCDYFK-LLVKDONJSA-N 1 2 253.371 1.870 20 30 CDEDLO N#CCCC1CC[NH+](Cc2ncnn2CCF)CC1 ZINC000566173038 334631541 /nfs/dbraw/zinc/63/15/41/334631541.db2.gz KOTCGQIKWUPGRB-UHFFFAOYSA-N 1 2 265.336 1.763 20 30 CDEDLO C[C@@H]1CCc2onc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c2C1 ZINC000566309723 334642320 /nfs/dbraw/zinc/64/23/20/334642320.db2.gz SDJSZDPISZSOSY-BMIGLBTASA-N 1 2 290.367 1.373 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cccc(C(=O)OC)n1 ZINC000566428801 334648375 /nfs/dbraw/zinc/64/83/75/334648375.db2.gz KQHZZCDPTMNYDK-SNVBAGLBSA-N 1 2 290.323 1.089 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1=Cc2ccccc2OC1 ZINC000566772955 334663697 /nfs/dbraw/zinc/66/36/97/334663697.db2.gz QLNRBAWVQDGOIV-INIZCTEOSA-N 1 2 285.347 1.422 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000576527018 335215088 /nfs/dbraw/zinc/21/50/88/335215088.db2.gz NEBJTEMZTKPNGE-LBPRGKRZSA-N 1 2 289.335 1.694 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1cccc(Cl)c1F ZINC000577757202 335397861 /nfs/dbraw/zinc/39/78/61/335397861.db2.gz PNUYVFWODVHOAR-CQSZACIVSA-N 1 2 297.761 1.982 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000194360625 336018376 /nfs/dbraw/zinc/01/83/76/336018376.db2.gz HUKUQTWGKXTBLS-LLVKDONJSA-N 1 2 279.296 1.180 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000194360625 336018377 /nfs/dbraw/zinc/01/83/77/336018377.db2.gz HUKUQTWGKXTBLS-LLVKDONJSA-N 1 2 279.296 1.180 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccc(C(N)=O)o1 ZINC001496746969 1160404175 /nfs/dbraw/zinc/40/41/75/1160404175.db2.gz YSVCICQGHLKFET-UHFFFAOYSA-N 1 2 299.758 1.135 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccc(C(N)=O)o1 ZINC001496746969 1160404180 /nfs/dbraw/zinc/40/41/80/1160404180.db2.gz YSVCICQGHLKFET-UHFFFAOYSA-N 1 2 299.758 1.135 20 30 CDEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000677048244 482460219 /nfs/dbraw/zinc/46/02/19/482460219.db2.gz RPDQOZFIKSPLJI-UONOGXRCSA-N 1 2 264.369 1.112 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OCC)cn2)C1=O ZINC000684966744 483042036 /nfs/dbraw/zinc/04/20/36/483042036.db2.gz LOHFIZVTBNYKIS-OAHLLOKOSA-N 1 2 289.379 1.699 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(OCC)cn2)C1=O ZINC000684966744 483042041 /nfs/dbraw/zinc/04/20/41/483042041.db2.gz LOHFIZVTBNYKIS-OAHLLOKOSA-N 1 2 289.379 1.699 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCOc3ccccc3C2)C1=O ZINC000685000249 483063559 /nfs/dbraw/zinc/06/35/59/483063559.db2.gz COXULTYUYQISTM-CQSZACIVSA-N 1 2 272.348 1.668 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCOc3ccccc3C2)C1=O ZINC000685000249 483063562 /nfs/dbraw/zinc/06/35/62/483063562.db2.gz COXULTYUYQISTM-CQSZACIVSA-N 1 2 272.348 1.668 20 30 CDEDLO Cc1nc(N[C@@H](C)C[C@@H](C)NC(=O)C#CC2CC2)cc[nH+]1 ZINC001089314315 1161134954 /nfs/dbraw/zinc/13/49/54/1161134954.db2.gz ULOKLPDMWSVTKD-NWDGAFQWSA-N 1 2 286.379 1.894 20 30 CDEDLO C=CCc1cc(C)cnc1N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001169130603 1161998310 /nfs/dbraw/zinc/99/83/10/1161998310.db2.gz QOCMJSDYHQTILW-OLZOCXBDSA-N 1 2 275.352 1.434 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)CCCC(=O)NC(C)C)C1 ZINC001754584247 1185674856 /nfs/dbraw/zinc/67/48/56/1185674856.db2.gz CLEKALWATAPHTP-UHFFFAOYSA-N 1 2 281.400 1.010 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](CCC)OCC)CC1 ZINC001113235097 1162134773 /nfs/dbraw/zinc/13/47/73/1162134773.db2.gz SIJOTQOUBCXMQP-HNNXBMFYSA-N 1 2 298.427 1.538 20 30 CDEDLO CC(C)[NH+]1CCN(S(=O)(=O)CCCCC#N)CC1 ZINC000068877175 519682739 /nfs/dbraw/zinc/68/27/39/519682739.db2.gz CEHARFNVNVUGFM-UHFFFAOYSA-N 1 2 273.402 1.036 20 30 CDEDLO Cn1c(C[NH2+][C@@H]2CCC[C@H]2C#N)nc2ccccc2c1=O ZINC000332122476 534692226 /nfs/dbraw/zinc/69/22/26/534692226.db2.gz DZBWBLJRBDBULO-WCQYABFASA-N 1 2 282.347 1.715 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)nn1C ZINC000336853748 524697504 /nfs/dbraw/zinc/69/75/04/524697504.db2.gz BYIOGXQKXGLOMP-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO C[C@H]([NH2+]Cc1nccc(N)n1)c1ccc(C#N)cc1 ZINC000338391571 525489345 /nfs/dbraw/zinc/48/93/45/525489345.db2.gz WJIZKIDAMDPJPM-JTQLQIEISA-N 1 2 253.309 1.612 20 30 CDEDLO C[C@H](c1nnnn1C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000364975648 526192145 /nfs/dbraw/zinc/19/21/45/526192145.db2.gz FVVUKJMVCDTXBL-GFCCVEGCSA-N 1 2 294.362 1.932 20 30 CDEDLO C[C@H](c1nnnn1C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000364975648 526192149 /nfs/dbraw/zinc/19/21/49/526192149.db2.gz FVVUKJMVCDTXBL-GFCCVEGCSA-N 1 2 294.362 1.932 20 30 CDEDLO C=C(C)CS(=O)(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000352309906 526688181 /nfs/dbraw/zinc/68/81/81/526688181.db2.gz DFFRNWVWMRPFSY-NSHDSACASA-N 1 2 269.370 1.367 20 30 CDEDLO Cn1cc(C[NH+]2CCN(C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000183242103 527204868 /nfs/dbraw/zinc/20/48/68/527204868.db2.gz OOCULMSDBXLKCE-UHFFFAOYSA-N 1 2 295.390 1.706 20 30 CDEDLO C=CCCS(=O)(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000352596185 527419133 /nfs/dbraw/zinc/41/91/33/527419133.db2.gz IXDURYMRWBLSNH-NSHDSACASA-N 1 2 269.370 1.367 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000331465546 527936839 /nfs/dbraw/zinc/93/68/39/527936839.db2.gz LFXLLGDAPJOHMM-INWMFGNUSA-N 1 2 293.411 1.540 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000331465546 527936844 /nfs/dbraw/zinc/93/68/44/527936844.db2.gz LFXLLGDAPJOHMM-INWMFGNUSA-N 1 2 293.411 1.540 20 30 CDEDLO CC(C)N(C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000330247767 528765152 /nfs/dbraw/zinc/76/51/52/528765152.db2.gz FUYJRAWWGOUBMH-NSHDSACASA-N 1 2 262.357 1.985 20 30 CDEDLO CC(C)N(C(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000330247767 528765158 /nfs/dbraw/zinc/76/51/58/528765158.db2.gz FUYJRAWWGOUBMH-NSHDSACASA-N 1 2 262.357 1.985 20 30 CDEDLO C=C(C)CNC(=S)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000729649198 574819415 /nfs/dbraw/zinc/81/94/15/574819415.db2.gz WMLOGBHIKLMZHN-NWDGAFQWSA-N 1 2 271.430 1.136 20 30 CDEDLO C=C(C)CNC(=S)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000729649237 574819560 /nfs/dbraw/zinc/81/95/60/574819560.db2.gz WMLOGBHIKLMZHN-VXGBXAGGSA-N 1 2 271.430 1.136 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000730094988 574848057 /nfs/dbraw/zinc/84/80/57/574848057.db2.gz YLOJOXXIOKUAMI-ZDUSSCGKSA-N 1 2 287.319 1.939 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000730094988 574848058 /nfs/dbraw/zinc/84/80/58/574848058.db2.gz YLOJOXXIOKUAMI-ZDUSSCGKSA-N 1 2 287.319 1.939 20 30 CDEDLO C#CC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000753967711 574986034 /nfs/dbraw/zinc/98/60/34/574986034.db2.gz GMZTULBGZCQUDS-OAHLLOKOSA-N 1 2 272.348 1.118 20 30 CDEDLO C[C@@H]1CC(N=Nc2ccccc2S(C)(=O)=O)C[N@@H+]1C ZINC000761810319 574988945 /nfs/dbraw/zinc/98/89/45/574988945.db2.gz REKUIMUEUPTOEP-SNVBAGLBSA-N 1 2 281.381 1.582 20 30 CDEDLO C[C@@H]1CC(N=Nc2ccccc2S(C)(=O)=O)C[N@H+]1C ZINC000761810319 574988946 /nfs/dbraw/zinc/98/89/46/574988946.db2.gz REKUIMUEUPTOEP-SNVBAGLBSA-N 1 2 281.381 1.582 20 30 CDEDLO N#CC1CC[NH+]([C@H]2CC(=O)N(c3cccc(O)c3)C2=O)CC1 ZINC000731357994 575045679 /nfs/dbraw/zinc/04/56/79/575045679.db2.gz YNCLYFNYDRMTQS-AWEZNQCLSA-N 1 2 299.330 1.260 20 30 CDEDLO O=C1CCCN1N=Cc1c(-n2cc[nH+]c2)nc2ccccn12 ZINC000769590252 575362431 /nfs/dbraw/zinc/36/24/31/575362431.db2.gz YVTFPJSXVIVBJY-UHFFFAOYSA-N 1 2 294.318 1.476 20 30 CDEDLO CC[C@H](NC(=O)C#Cc1ccc2c(c1)OCO2)c1[nH]cc[nH+]1 ZINC000769669978 575369875 /nfs/dbraw/zinc/36/98/75/575369875.db2.gz OSPORSQOMRIINB-LBPRGKRZSA-N 1 2 297.314 1.757 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000769954240 575402540 /nfs/dbraw/zinc/40/25/40/575402540.db2.gz QPRYEWXIQHKFGX-RYUDHWBXSA-N 1 2 274.339 1.883 20 30 CDEDLO C#CCNC(=O)C[N@H+]1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000769954240 575402542 /nfs/dbraw/zinc/40/25/42/575402542.db2.gz QPRYEWXIQHKFGX-RYUDHWBXSA-N 1 2 274.339 1.883 20 30 CDEDLO C#C[C@@H](NC(=O)NCc1cn2ccccc2[nH+]1)[C@@H]1CCCO1 ZINC000773547567 575823185 /nfs/dbraw/zinc/82/31/85/575823185.db2.gz IWVJREKIQPYPBQ-KGLIPLIRSA-N 1 2 298.346 1.314 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC(O)(C(C)C)C1 ZINC000773894601 575843745 /nfs/dbraw/zinc/84/37/45/575843745.db2.gz UFNIYOOHGQZAAT-CYBMUJFWSA-N 1 2 268.401 1.502 20 30 CDEDLO N#CC1(CS(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000766075616 576076546 /nfs/dbraw/zinc/07/65/46/576076546.db2.gz CMTGVAFELNNYNO-SNVBAGLBSA-N 1 2 280.353 1.180 20 30 CDEDLO C=CC[N@H+](Cn1cc2c(c(C#N)c1=O)CCC2)C1CC1 ZINC000766633144 576117651 /nfs/dbraw/zinc/11/76/51/576117651.db2.gz PKTXWWBUVWLRID-UHFFFAOYSA-N 1 2 269.348 1.817 20 30 CDEDLO C=CC[N@@H+](Cn1cc2c(c(C#N)c1=O)CCC2)C1CC1 ZINC000766633144 576117652 /nfs/dbraw/zinc/11/76/52/576117652.db2.gz PKTXWWBUVWLRID-UHFFFAOYSA-N 1 2 269.348 1.817 20 30 CDEDLO C=CCN1CC(=O)N(CCc2cn3cccc(C)c3[nH+]2)C1=O ZINC000761323903 576568001 /nfs/dbraw/zinc/56/80/01/576568001.db2.gz ZKHMPWCFQIANED-UHFFFAOYSA-N 1 2 298.346 1.635 20 30 CDEDLO C#Cc1ccc(C(=O)Nc2cccc3[nH+]ccn32)nc1 ZINC000741969526 576579467 /nfs/dbraw/zinc/57/94/67/576579467.db2.gz BBQNLVZTGVXDHS-UHFFFAOYSA-N 1 2 262.272 1.963 20 30 CDEDLO COCCN(C)c1ccc(C=[NH+]Nc2cnn(C)c2)cn1 ZINC000761864339 576599698 /nfs/dbraw/zinc/59/96/98/576599698.db2.gz HYFSNNPINCUXSO-UHFFFAOYSA-N 1 2 288.355 1.344 20 30 CDEDLO C#CCN(CC)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000744878242 576702850 /nfs/dbraw/zinc/70/28/50/576702850.db2.gz TXLZYZMUKFGZGL-UHFFFAOYSA-N 1 2 271.364 1.667 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745081488 576713476 /nfs/dbraw/zinc/71/34/76/576713476.db2.gz ZUWJYWPAHHEYMS-SWLSCSKDSA-N 1 2 295.383 1.068 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745081488 576713478 /nfs/dbraw/zinc/71/34/78/576713478.db2.gz ZUWJYWPAHHEYMS-SWLSCSKDSA-N 1 2 295.383 1.068 20 30 CDEDLO COc1ccc(CN[NH+]=Cc2c(N)ncnc2OC)cc1 ZINC000747632682 576877683 /nfs/dbraw/zinc/87/76/83/576877683.db2.gz GVQMUDIQYJGTLR-UHFFFAOYSA-N 1 2 287.323 1.200 20 30 CDEDLO C#CCNC(=O)C[NH2+][C@@H](C)c1csc(CC)n1 ZINC000754787119 576915634 /nfs/dbraw/zinc/91/56/34/576915634.db2.gz KELGETKMTUZBIU-VIFPVBQESA-N 1 2 251.355 1.106 20 30 CDEDLO Cn1c[nH+]cc1C=NN1C(=O)NC2(CCCCC2)C1=O ZINC000755542071 576949315 /nfs/dbraw/zinc/94/93/15/576949315.db2.gz DSCLGILPAKNVCA-UHFFFAOYSA-N 1 2 275.312 1.009 20 30 CDEDLO Cc1[nH]c[nH+]c1C=NNc1nc2ccccc2c(=O)n1C ZINC000755603263 576951365 /nfs/dbraw/zinc/95/13/65/576951365.db2.gz DJRUVYBHFMYKKZ-UHFFFAOYSA-N 1 2 282.307 1.411 20 30 CDEDLO Cn1c[nH+]cc1C=NNc1cn[nH]c(=O)c1Cl ZINC000755621252 576952274 /nfs/dbraw/zinc/95/22/74/576952274.db2.gz QPTCAIBKMMEAMU-UHFFFAOYSA-N 1 2 252.665 1.015 20 30 CDEDLO Cc1[nH+]cc(C=NNC(=S)N(C)C)n1-c1ccccc1 ZINC000755709235 576956694 /nfs/dbraw/zinc/95/66/94/576956694.db2.gz OJCSRPNKJAQODY-UHFFFAOYSA-N 1 2 287.392 1.951 20 30 CDEDLO Cn1c[nH+]cc1C=NNC(=S)Nc1ccccn1 ZINC000755802603 576962179 /nfs/dbraw/zinc/96/21/79/576962179.db2.gz NPELYPWKWIJQDY-UHFFFAOYSA-N 1 2 260.326 1.136 20 30 CDEDLO N#Cc1cccn(C[NH+]2CCC([C@H]3CCOC3)CC2)c1=O ZINC000758247429 577090423 /nfs/dbraw/zinc/09/04/23/577090423.db2.gz IDOXYBAANYGDDA-HNNXBMFYSA-N 1 2 287.363 1.426 20 30 CDEDLO C=CCn1nnn(C[N@@H+](C)CC(C)(C)OC)c1=S ZINC000758404193 577105259 /nfs/dbraw/zinc/10/52/59/577105259.db2.gz GQCBAHZPEGRKQR-UHFFFAOYSA-N 1 2 271.390 1.309 20 30 CDEDLO C=CCn1nnn(C[N@H+](C)CC(C)(C)OC)c1=S ZINC000758404193 577105260 /nfs/dbraw/zinc/10/52/60/577105260.db2.gz GQCBAHZPEGRKQR-UHFFFAOYSA-N 1 2 271.390 1.309 20 30 CDEDLO C(=[NH+]Nc1cccnn1)c1ccc(N2CCCC2)nc1 ZINC000758377684 577103083 /nfs/dbraw/zinc/10/30/83/577103083.db2.gz BIOXUXLPXBUGIP-UHFFFAOYSA-N 1 2 268.324 1.918 20 30 CDEDLO C[NH+]1CCN(N=Cc2cccc(Cl)c2O)CC1 ZINC000753160588 577150297 /nfs/dbraw/zinc/15/02/97/577150297.db2.gz BCFDXYGZNQYMMR-UHFFFAOYSA-N 1 2 253.733 1.627 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nnc(C)s1 ZINC000759196838 577159493 /nfs/dbraw/zinc/15/94/93/577159493.db2.gz ZNIJWQDZRKHHIM-KOLCDFICSA-N 1 2 278.381 1.121 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nnc(C)s1 ZINC000759196838 577159494 /nfs/dbraw/zinc/15/94/94/577159494.db2.gz ZNIJWQDZRKHHIM-KOLCDFICSA-N 1 2 278.381 1.121 20 30 CDEDLO Nc1ncccc1C=[NH+]Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822907377 606989244 /nfs/dbraw/zinc/98/92/44/606989244.db2.gz JYUPDLSEXIGPNL-UHFFFAOYSA-N 1 2 280.295 1.290 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000890655109 617252684 /nfs/dbraw/zinc/25/26/84/617252684.db2.gz JRFUIJNLGKYHBQ-JHJVBQTASA-N 1 2 257.337 1.538 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(Cl)c[nH]2)C1 ZINC000949661411 612991705 /nfs/dbraw/zinc/99/17/05/612991705.db2.gz FQVGTPHFGHYJGN-UHFFFAOYSA-N 1 2 279.771 1.838 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc3n[nH]nc3c2)C1 ZINC000957375964 612991951 /nfs/dbraw/zinc/99/19/51/612991951.db2.gz SRTGEXCZIGTRCC-UHFFFAOYSA-N 1 2 297.362 1.128 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnccc2C)C1 ZINC000949834002 612992742 /nfs/dbraw/zinc/99/27/42/612992742.db2.gz ZJRRHPRYUMSOAA-UHFFFAOYSA-N 1 2 271.364 1.560 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnc3cc[nH]c3c2)C1 ZINC000950598372 612992794 /nfs/dbraw/zinc/99/27/94/612992794.db2.gz DXOSGCBIMBKIJD-UHFFFAOYSA-N 1 2 296.374 1.733 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)/C(C)=C/C)CC2)C1 ZINC000949336140 613209652 /nfs/dbraw/zinc/20/96/52/613209652.db2.gz PUVOPPOMRZPYNP-LHHJGKSTSA-N 1 2 276.380 1.279 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)/C(C)=C/C)CC2)C1 ZINC000949336140 613209654 /nfs/dbraw/zinc/20/96/54/613209654.db2.gz PUVOPPOMRZPYNP-LHHJGKSTSA-N 1 2 276.380 1.279 20 30 CDEDLO C#Cc1cncc(C(=O)N2CCC[N@@H+](CCF)CC2)c1 ZINC000981923155 613212834 /nfs/dbraw/zinc/21/28/34/613212834.db2.gz LTBNPKVXHZPFIH-UHFFFAOYSA-N 1 2 275.327 1.180 20 30 CDEDLO C#Cc1cncc(C(=O)N2CCC[N@H+](CCF)CC2)c1 ZINC000981923155 613212836 /nfs/dbraw/zinc/21/28/36/613212836.db2.gz LTBNPKVXHZPFIH-UHFFFAOYSA-N 1 2 275.327 1.180 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2scnc2C)C1 ZINC000965184575 613222245 /nfs/dbraw/zinc/22/22/45/613222245.db2.gz VJQCGSNRWXFXLJ-ZYHUDNBSSA-N 1 2 277.393 1.525 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2scnc2C)C1 ZINC000965184575 613222248 /nfs/dbraw/zinc/22/22/48/613222248.db2.gz VJQCGSNRWXFXLJ-ZYHUDNBSSA-N 1 2 277.393 1.525 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3[nH]nnc3c2)C[C@H]1C ZINC000948026734 613236671 /nfs/dbraw/zinc/23/66/71/613236671.db2.gz SWXHQFYOFLRVFH-DGCLKSJQSA-N 1 2 297.362 1.174 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3[nH]nnc3c2)C[C@H]1C ZINC000948026734 613236674 /nfs/dbraw/zinc/23/66/74/613236674.db2.gz SWXHQFYOFLRVFH-DGCLKSJQSA-N 1 2 297.362 1.174 20 30 CDEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCOC1 ZINC000948894881 613279790 /nfs/dbraw/zinc/27/97/90/613279790.db2.gz RDZQTHFWHFZBMR-DOTOQJQBSA-N 1 2 298.386 1.372 20 30 CDEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCOC1 ZINC000948894881 613279791 /nfs/dbraw/zinc/27/97/91/613279791.db2.gz RDZQTHFWHFZBMR-DOTOQJQBSA-N 1 2 298.386 1.372 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCN2C(C)=O)C1 ZINC000957431962 613295188 /nfs/dbraw/zinc/29/51/88/613295188.db2.gz LELABFPDDFNEAO-OAHLLOKOSA-N 1 2 293.411 1.106 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccnc3[nH]cnc32)C1 ZINC000950425998 613297105 /nfs/dbraw/zinc/29/71/05/613297105.db2.gz RYNSMIWVVRWLHL-UHFFFAOYSA-N 1 2 299.378 1.680 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cn3c(cccc3C)n2)CC1 ZINC000957590981 613321523 /nfs/dbraw/zinc/32/15/23/613321523.db2.gz XFWVQJYPJHAOIH-UHFFFAOYSA-N 1 2 298.390 1.977 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000970442031 613372224 /nfs/dbraw/zinc/37/22/24/613372224.db2.gz MQJOGENFDQTYHJ-NTZNESFSSA-N 1 2 286.803 1.743 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2c[nH]nc2CC)C1 ZINC000970030397 613372477 /nfs/dbraw/zinc/37/24/77/613372477.db2.gz CXSGAIJVKWDYKX-JTQLQIEISA-N 1 2 296.802 1.775 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC000965320198 613377958 /nfs/dbraw/zinc/37/79/58/613377958.db2.gz CBOOOVGOKCGCSB-JOYOIKCWSA-N 1 2 282.775 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC000965320198 613377959 /nfs/dbraw/zinc/37/79/59/613377959.db2.gz CBOOOVGOKCGCSB-JOYOIKCWSA-N 1 2 282.775 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]n2)C[C@H]1C ZINC000947483471 613379335 /nfs/dbraw/zinc/37/93/35/613379335.db2.gz CHBNFSDONDMKMD-ZJUUUORDSA-N 1 2 283.763 1.140 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]n2)C[C@H]1C ZINC000947483471 613379336 /nfs/dbraw/zinc/37/93/36/613379336.db2.gz CHBNFSDONDMKMD-ZJUUUORDSA-N 1 2 283.763 1.140 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn[nH]2)C[C@H]1C ZINC000947483471 613379337 /nfs/dbraw/zinc/37/93/37/613379337.db2.gz CHBNFSDONDMKMD-ZJUUUORDSA-N 1 2 283.763 1.140 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn[nH]2)C[C@H]1C ZINC000947483471 613379338 /nfs/dbraw/zinc/37/93/38/613379338.db2.gz CHBNFSDONDMKMD-ZJUUUORDSA-N 1 2 283.763 1.140 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cn(C)cn2)C(C)(C)C1 ZINC000973035135 613381279 /nfs/dbraw/zinc/38/12/79/613381279.db2.gz XIRXRPBHMILWKG-LBPRGKRZSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cn(C)cn2)C(C)(C)C1 ZINC000973035135 613381280 /nfs/dbraw/zinc/38/12/80/613381280.db2.gz XIRXRPBHMILWKG-LBPRGKRZSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC000969831016 613475236 /nfs/dbraw/zinc/47/52/36/613475236.db2.gz YXGJDHJIAYFWIU-DOMZBBRYSA-N 1 2 292.383 1.671 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@@H+]([C@H](C)C(=O)NC)CC1 ZINC000981887770 613501856 /nfs/dbraw/zinc/50/18/56/613501856.db2.gz OTOICDYYLWXLJE-CZUORRHYSA-N 1 2 295.427 1.258 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@H+]([C@H](C)C(=O)NC)CC1 ZINC000981887770 613501859 /nfs/dbraw/zinc/50/18/59/613501859.db2.gz OTOICDYYLWXLJE-CZUORRHYSA-N 1 2 295.427 1.258 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2cnc(C)s2)CC1 ZINC000980808963 613555713 /nfs/dbraw/zinc/55/57/13/613555713.db2.gz SMGDCRLGQXDMGL-UHFFFAOYSA-N 1 2 277.393 1.623 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2cnc(C)s2)CC1 ZINC000980808963 613555714 /nfs/dbraw/zinc/55/57/14/613555714.db2.gz SMGDCRLGQXDMGL-UHFFFAOYSA-N 1 2 277.393 1.623 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H]2CCC[C@@H](OC)C2)CC1 ZINC000948694956 613563268 /nfs/dbraw/zinc/56/32/68/613563268.db2.gz XQKWKYONMHIRKI-JKSUJKDBSA-N 1 2 292.423 1.749 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H]2CC[C@H](C)C2)CC1 ZINC000949737895 613563304 /nfs/dbraw/zinc/56/33/04/613563304.db2.gz LAZBYHLQSJEDSB-GJZGRUSLSA-N 1 2 262.397 1.980 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccoc3)C2)C1 ZINC000972259438 613570686 /nfs/dbraw/zinc/57/06/86/613570686.db2.gz PBWYEZJUDZHKRZ-MRXNPFEDSA-N 1 2 288.347 1.220 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccoc3)C2)C1 ZINC000972259438 613570687 /nfs/dbraw/zinc/57/06/87/613570687.db2.gz PBWYEZJUDZHKRZ-MRXNPFEDSA-N 1 2 288.347 1.220 20 30 CDEDLO O=C(NCC#C[C@H]1CCCCO1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000891113387 617364811 /nfs/dbraw/zinc/36/48/11/617364811.db2.gz XMVVBLJHBVDITI-JHJVBQTASA-N 1 2 273.336 1.202 20 30 CDEDLO O=C(NCC#C[C@H]1CCCCO1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000891113387 617364813 /nfs/dbraw/zinc/36/48/13/617364813.db2.gz XMVVBLJHBVDITI-JHJVBQTASA-N 1 2 273.336 1.202 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[C@@H]2OC)C1 ZINC000957445551 613655468 /nfs/dbraw/zinc/65/54/68/613655468.db2.gz OWOGUZKQUTZGHD-GJZGRUSLSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CCN1CC(N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000950614589 613657045 /nfs/dbraw/zinc/65/70/45/613657045.db2.gz GQHDKBSOMDXAIS-UHFFFAOYSA-N 1 2 284.363 1.895 20 30 CDEDLO C=CC[NH+]1CC([C@@H](C)NC(=O)c2cccc3nc[nH]c32)C1 ZINC000970642652 613666054 /nfs/dbraw/zinc/66/60/54/613666054.db2.gz HCDNVXODZWOJJR-LLVKDONJSA-N 1 2 284.363 1.799 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2cccc(COC)c2)CC1 ZINC000957298553 613709213 /nfs/dbraw/zinc/70/92/13/613709213.db2.gz XXDMIMJMKBCXBG-UHFFFAOYSA-N 1 2 288.391 1.706 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCC[C@@H]2OC)CC1 ZINC000957861027 613710973 /nfs/dbraw/zinc/71/09/73/613710973.db2.gz IBUXTBKCNHAZHK-KGLIPLIRSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccnc2C(F)F)CC1 ZINC000949221045 613717331 /nfs/dbraw/zinc/71/73/31/613717331.db2.gz QNFXWAJPZPZCQX-UHFFFAOYSA-N 1 2 281.306 1.963 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccnc3[nH]c(C)nc32)CC1 ZINC000949409886 613717637 /nfs/dbraw/zinc/71/76/37/613717637.db2.gz SSYJSIXUFRFCNF-UHFFFAOYSA-N 1 2 285.351 1.210 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)no3)C2)C1 ZINC000972253200 613726562 /nfs/dbraw/zinc/72/65/62/613726562.db2.gz MKLXTASOOMKAEA-OAHLLOKOSA-N 1 2 291.351 1.086 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)no3)C2)C1 ZINC000972253200 613726568 /nfs/dbraw/zinc/72/65/68/613726568.db2.gz MKLXTASOOMKAEA-OAHLLOKOSA-N 1 2 291.351 1.086 20 30 CDEDLO C=CCN(c1cc(N[C@H](CC)CO)[nH+]cn1)C1CC1 ZINC000893094881 618158798 /nfs/dbraw/zinc/15/87/98/618158798.db2.gz CXWSUTGXKPYURD-LLVKDONJSA-N 1 2 262.357 1.814 20 30 CDEDLO C=CCN(c1cc(N[C@H](CC)CO)nc[nH+]1)C1CC1 ZINC000893094881 618158805 /nfs/dbraw/zinc/15/88/05/618158805.db2.gz CXWSUTGXKPYURD-LLVKDONJSA-N 1 2 262.357 1.814 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)C[C@H]1[C@H](C(=O)OC)C1(F)F ZINC000893994893 618235976 /nfs/dbraw/zinc/23/59/76/618235976.db2.gz LWQZLJNUYQEVCC-KXUCPTDWSA-N 1 2 260.284 1.522 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)C[C@H]1[C@H](C(=O)OC)C1(F)F ZINC000893994893 618235978 /nfs/dbraw/zinc/23/59/78/618235978.db2.gz LWQZLJNUYQEVCC-KXUCPTDWSA-N 1 2 260.284 1.522 20 30 CDEDLO c1ccc(C[N@@H+]2CCC(=NN3CCOCC3)C2)cc1 ZINC000839384820 618348139 /nfs/dbraw/zinc/34/81/39/618348139.db2.gz IKBSXPMOFYWYQD-UHFFFAOYSA-N 1 2 259.353 1.581 20 30 CDEDLO c1ccc(C[N@H+]2CCC(=NN3CCOCC3)C2)cc1 ZINC000839384820 618348148 /nfs/dbraw/zinc/34/81/48/618348148.db2.gz IKBSXPMOFYWYQD-UHFFFAOYSA-N 1 2 259.353 1.581 20 30 CDEDLO CC[C@H](CO)Nc1cc(N2CCC[C@@H](CC#N)C2)nc[nH+]1 ZINC000894487149 618914282 /nfs/dbraw/zinc/91/42/82/618914282.db2.gz PCECFZQAHMHDEY-QWHCGFSZSA-N 1 2 289.383 1.789 20 30 CDEDLO CC[C@H](CO)Nc1cc(N2CCC[C@@H](CC#N)C2)[nH+]cn1 ZINC000894487149 618914283 /nfs/dbraw/zinc/91/42/83/618914283.db2.gz PCECFZQAHMHDEY-QWHCGFSZSA-N 1 2 289.383 1.789 20 30 CDEDLO CCn1nc(C[NH2+][C@@H]2CCCN(O)C2=O)c2ccccc21 ZINC000895160064 619377096 /nfs/dbraw/zinc/37/70/96/619377096.db2.gz JXAHZUMHNVKHJL-GFCCVEGCSA-N 1 2 288.351 1.526 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)cc1 ZINC000896533450 620132818 /nfs/dbraw/zinc/13/28/18/620132818.db2.gz YXYYLUAWJCONBG-CZUORRHYSA-N 1 2 285.391 1.032 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)cc1 ZINC000896533450 620132825 /nfs/dbraw/zinc/13/28/25/620132825.db2.gz YXYYLUAWJCONBG-CZUORRHYSA-N 1 2 285.391 1.032 20 30 CDEDLO C=C1CCC(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000898664320 621835214 /nfs/dbraw/zinc/83/52/14/621835214.db2.gz CZTQFEBMHLCDQC-KGLIPLIRSA-N 1 2 280.412 1.958 20 30 CDEDLO C=C1CCC(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000898664320 621835215 /nfs/dbraw/zinc/83/52/15/621835215.db2.gz CZTQFEBMHLCDQC-KGLIPLIRSA-N 1 2 280.412 1.958 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)cc1 ZINC000898668249 621836089 /nfs/dbraw/zinc/83/60/89/621836089.db2.gz GCXDZIQWOJDLCB-KGLIPLIRSA-N 1 2 286.375 1.507 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cc1 ZINC000898668249 621836090 /nfs/dbraw/zinc/83/60/90/621836090.db2.gz GCXDZIQWOJDLCB-KGLIPLIRSA-N 1 2 286.375 1.507 20 30 CDEDLO Cc1[nH]c(/C=C2\CCc3c(cnn3C)C2=O)[nH+]c1C ZINC000901458059 624276366 /nfs/dbraw/zinc/27/63/66/624276366.db2.gz XETNXQZNLBCGCD-UXBLZVDNSA-N 1 2 256.309 1.973 20 30 CDEDLO CCn1c[nH+]cc1C=CC(=O)C1=C(C)N=C2N=NNN2[C@H]1C ZINC000901503145 624306116 /nfs/dbraw/zinc/30/61/16/624306116.db2.gz ALNYXZGPVQPQTP-PORFMDCZSA-N 1 2 299.338 1.705 20 30 CDEDLO C#CC[N@H+](CN1C(=O)[C@H](C2CC2)[C@H]1C1CC1)C(C)C ZINC000905747683 626944373 /nfs/dbraw/zinc/94/43/73/626944373.db2.gz ANGDMZOLYRHPIR-HUUCEWRRSA-N 1 2 260.381 1.935 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)[C@H](C2CC2)[C@H]1C1CC1)C(C)C ZINC000905747683 626944375 /nfs/dbraw/zinc/94/43/75/626944375.db2.gz ANGDMZOLYRHPIR-HUUCEWRRSA-N 1 2 260.381 1.935 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000906556653 627310453 /nfs/dbraw/zinc/31/04/53/627310453.db2.gz QMKKNXRTHGPEDD-KBPBESRZSA-N 1 2 296.411 1.195 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000906556653 627310456 /nfs/dbraw/zinc/31/04/56/627310456.db2.gz QMKKNXRTHGPEDD-KBPBESRZSA-N 1 2 296.411 1.195 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCc2ccon2)cc1OC ZINC000156940271 630577507 /nfs/dbraw/zinc/57/75/07/630577507.db2.gz BVNFBZWGACPEQF-UHFFFAOYSA-N 1 2 277.280 1.529 20 30 CDEDLO Cn1c[nH+]cc1CCOC(=O)c1ccccc1CC#N ZINC000837402642 631802260 /nfs/dbraw/zinc/80/22/60/631802260.db2.gz MJXIVSHMKHTJOI-UHFFFAOYSA-N 1 2 269.304 1.886 20 30 CDEDLO c1ccc(N2CCC(N=Nc3cnccn3)CC2)[nH+]c1 ZINC000915958973 631874317 /nfs/dbraw/zinc/87/43/17/631874317.db2.gz FYQTWDJBDTXEHQ-UHFFFAOYSA-N 1 2 268.324 1.940 20 30 CDEDLO N#CCSCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921154018 632884842 /nfs/dbraw/zinc/88/48/42/632884842.db2.gz ZXKVAHVAKCZYBU-UHFFFAOYSA-N 1 2 286.360 1.745 20 30 CDEDLO Cc1nc(N[C@@H](C)C[C@H](C)NC(=O)C#CC2CC2)cc[nH+]1 ZINC001089314316 1161134892 /nfs/dbraw/zinc/13/48/92/1161134892.db2.gz ULOKLPDMWSVTKD-RYUDHWBXSA-N 1 2 286.379 1.894 20 30 CDEDLO C=C[C@H](CC)CC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001113239687 1162135831 /nfs/dbraw/zinc/13/58/31/1162135831.db2.gz MOWZCDJJYJYKSH-OAHLLOKOSA-N 1 2 290.411 1.630 20 30 CDEDLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)Nc1ccc(C#N)nc1 ZINC001113314957 1162152509 /nfs/dbraw/zinc/15/25/09/1162152509.db2.gz WQCKYVDYEUTGFC-WDEREUQCSA-N 1 2 298.350 1.224 20 30 CDEDLO C=C1CCC(C(=O)NCC[NH2+]Cc2nonc2C)CC1 ZINC001133362392 1163655240 /nfs/dbraw/zinc/65/52/40/1163655240.db2.gz DDLRCQXCMSEMLP-UHFFFAOYSA-N 1 2 278.356 1.330 20 30 CDEDLO N#C[C@H]1CCC[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC001606346183 1163872486 /nfs/dbraw/zinc/87/24/86/1163872486.db2.gz XQGUPMLJSVJQJK-GFCCVEGCSA-N 1 2 298.350 1.481 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC001606346183 1163872495 /nfs/dbraw/zinc/87/24/95/1163872495.db2.gz XQGUPMLJSVJQJK-GFCCVEGCSA-N 1 2 298.350 1.481 20 30 CDEDLO C=CCC[C@H](O)C[NH2+][C@H](C(=O)OC)C1CCCC1 ZINC001252620890 1164719443 /nfs/dbraw/zinc/71/94/43/1164719443.db2.gz QUUYGRNHOCINNM-STQMWFEESA-N 1 2 255.358 1.635 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](Nc2nc(C(C)(C)OC)ns2)C1 ZINC000884610542 1166510775 /nfs/dbraw/zinc/51/07/75/1166510775.db2.gz OVLOQFOHETZJRG-NSHDSACASA-N 1 2 294.424 1.929 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](Nc2nc(C(C)(C)OC)ns2)C1 ZINC000884610542 1166510782 /nfs/dbraw/zinc/51/07/82/1166510782.db2.gz OVLOQFOHETZJRG-NSHDSACASA-N 1 2 294.424 1.929 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCc3c(N)cccc3C2)nn1 ZINC001574920794 1171050276 /nfs/dbraw/zinc/05/02/76/1171050276.db2.gz JGLXFUSIJRNKFI-UHFFFAOYSA-N 1 2 283.379 1.995 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCc3c(N)cccc3C2)nn1 ZINC001574920794 1171050284 /nfs/dbraw/zinc/05/02/84/1171050284.db2.gz JGLXFUSIJRNKFI-UHFFFAOYSA-N 1 2 283.379 1.995 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccn(C)n2)C1 ZINC001731352414 1182333351 /nfs/dbraw/zinc/33/33/51/1182333351.db2.gz SQGNIFHFOZJGNV-CYBMUJFWSA-N 1 2 276.384 1.467 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccn(C)n2)C1 ZINC001731352414 1182333354 /nfs/dbraw/zinc/33/33/54/1182333354.db2.gz SQGNIFHFOZJGNV-CYBMUJFWSA-N 1 2 276.384 1.467 20 30 CDEDLO C=C(C)C[N@H+](C)CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001752103676 1184820826 /nfs/dbraw/zinc/82/08/26/1184820826.db2.gz IWNHWPHITAOVTJ-UHFFFAOYSA-N 1 2 264.373 1.275 20 30 CDEDLO C=C(C)C[N@@H+](C)CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001752103676 1184820831 /nfs/dbraw/zinc/82/08/31/1184820831.db2.gz IWNHWPHITAOVTJ-UHFFFAOYSA-N 1 2 264.373 1.275 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nnc(CC)o2)C1 ZINC001752555376 1184878356 /nfs/dbraw/zinc/87/83/56/1184878356.db2.gz BUTUKDABDPIPRF-RYUDHWBXSA-N 1 2 292.383 1.850 20 30 CDEDLO CC#CC[NH2+][C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001752876376 1184946894 /nfs/dbraw/zinc/94/68/94/1184946894.db2.gz XWZZNEKJGPHGHN-HTQZYQBOSA-N 1 2 254.227 1.004 20 30 CDEDLO CC#CC[NH2+][C@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001752876376 1184946896 /nfs/dbraw/zinc/94/68/96/1184946896.db2.gz XWZZNEKJGPHGHN-HTQZYQBOSA-N 1 2 254.227 1.004 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H](C)SC ZINC001753078694 1185044824 /nfs/dbraw/zinc/04/48/24/1185044824.db2.gz LKYFODISJDAFDF-SNVBAGLBSA-N 1 2 264.822 1.929 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H](C)SC ZINC001753078694 1185044829 /nfs/dbraw/zinc/04/48/29/1185044829.db2.gz LKYFODISJDAFDF-SNVBAGLBSA-N 1 2 264.822 1.929 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[N@@H+](CC)Cc2cnnn2C)C1 ZINC001753086661 1185051715 /nfs/dbraw/zinc/05/17/15/1185051715.db2.gz BVSDRPGEHAFQDD-UHFFFAOYSA-N 1 2 291.399 1.110 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[N@H+](CC)Cc2cnnn2C)C1 ZINC001753086661 1185051720 /nfs/dbraw/zinc/05/17/20/1185051720.db2.gz BVSDRPGEHAFQDD-UHFFFAOYSA-N 1 2 291.399 1.110 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)C1 ZINC001753391575 1185182078 /nfs/dbraw/zinc/18/20/78/1185182078.db2.gz WRSRQJDRBUGSSB-GFCCVEGCSA-N 1 2 295.427 1.304 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCOCC(F)F)C1 ZINC001753403071 1185189533 /nfs/dbraw/zinc/18/95/33/1185189533.db2.gz LVHKBIUAZSNESC-UHFFFAOYSA-N 1 2 296.745 1.459 20 30 CDEDLO Cc1cnc([C@H](C)[NH2+]C/C=C/CNC(=O)C#CC2CC2)o1 ZINC001754119880 1185473434 /nfs/dbraw/zinc/47/34/34/1185473434.db2.gz REJQRQHIBVJXCU-OOPCZODUSA-N 1 2 287.363 1.719 20 30 CDEDLO N#CC[N@H+](CC1CC1)C1CCN(C(=O)c2cnco2)CC1 ZINC001754549037 1185664708 /nfs/dbraw/zinc/66/47/08/1185664708.db2.gz OYUWTKSSNBASIE-UHFFFAOYSA-N 1 2 288.351 1.515 20 30 CDEDLO N#CC[N@@H+](CC1CC1)C1CCN(C(=O)c2cnco2)CC1 ZINC001754549037 1185664712 /nfs/dbraw/zinc/66/47/12/1185664712.db2.gz OYUWTKSSNBASIE-UHFFFAOYSA-N 1 2 288.351 1.515 20 30 CDEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)CC[C@@H](C)CC ZINC001754971954 1185774966 /nfs/dbraw/zinc/77/49/66/1185774966.db2.gz DENHQECCMPORAU-GJZGRUSLSA-N 1 2 280.412 1.653 20 30 CDEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)CC[C@@H](C)CC ZINC001754971954 1185774968 /nfs/dbraw/zinc/77/49/68/1185774968.db2.gz DENHQECCMPORAU-GJZGRUSLSA-N 1 2 280.412 1.653 20 30 CDEDLO C=CCOCC(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)c1ncc(C)o1 ZINC001755293914 1185896437 /nfs/dbraw/zinc/89/64/37/1185896437.db2.gz BIVCQIOGKSYNRD-YPMHNXCESA-N 1 2 295.383 1.683 20 30 CDEDLO C=CCOCC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)c1ncc(C)o1 ZINC001755293914 1185896440 /nfs/dbraw/zinc/89/64/40/1185896440.db2.gz BIVCQIOGKSYNRD-YPMHNXCESA-N 1 2 295.383 1.683 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccnc3[nH]cnc32)C1 ZINC001042810551 705304557 /nfs/dbraw/zinc/30/45/57/705304557.db2.gz HEJKCYZRLQQWFD-UHFFFAOYSA-N 1 2 285.351 1.290 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3n[nH]cc32)C1 ZINC001033314633 705374241 /nfs/dbraw/zinc/37/42/41/705374241.db2.gz AGHHPUSYZIEBJY-CYBMUJFWSA-N 1 2 296.374 1.733 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc3n[nH]cc32)C1 ZINC001033314633 705374242 /nfs/dbraw/zinc/37/42/42/705374242.db2.gz AGHHPUSYZIEBJY-CYBMUJFWSA-N 1 2 296.374 1.733 20 30 CDEDLO C=CC[N@H+]1CC[C@](C)(NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001046827456 705382977 /nfs/dbraw/zinc/38/29/77/705382977.db2.gz SHGOKAFZDNOEDM-HNNXBMFYSA-N 1 2 285.351 1.338 20 30 CDEDLO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001046827456 705382979 /nfs/dbraw/zinc/38/29/79/705382979.db2.gz SHGOKAFZDNOEDM-HNNXBMFYSA-N 1 2 285.351 1.338 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ocnc2CC)C1 ZINC001035501950 705413414 /nfs/dbraw/zinc/41/34/14/705413414.db2.gz ZOXXMPDMHBTZQH-LBPRGKRZSA-N 1 2 293.367 1.244 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ocnc2CC)C1 ZINC001035501950 705413422 /nfs/dbraw/zinc/41/34/22/705413422.db2.gz ZOXXMPDMHBTZQH-LBPRGKRZSA-N 1 2 293.367 1.244 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC1(F)F)CO2 ZINC001053793462 705415547 /nfs/dbraw/zinc/41/55/47/705415547.db2.gz QODCBIKKFDITBE-MNOVXSKESA-N 1 2 286.322 1.177 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CCC=C)C(=O)OCC ZINC000837025991 705427959 /nfs/dbraw/zinc/42/79/59/705427959.db2.gz OQZAFWRYUPWSEL-KGLIPLIRSA-N 1 2 292.379 1.098 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CCC=C)C(=O)OCC ZINC000837025991 705427966 /nfs/dbraw/zinc/42/79/66/705427966.db2.gz OQZAFWRYUPWSEL-KGLIPLIRSA-N 1 2 292.379 1.098 20 30 CDEDLO C#CCC1(O)CCN(c2cc(CC(=O)OC)cc[nH+]2)CC1 ZINC000882968687 705437201 /nfs/dbraw/zinc/43/72/01/705437201.db2.gz VIYALBVTAHXTNC-UHFFFAOYSA-N 1 2 288.347 1.152 20 30 CDEDLO CCc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C)C#N)nc(C)[nH+]1 ZINC001062457119 705468834 /nfs/dbraw/zinc/46/88/34/705468834.db2.gz LATNXFHAJLBEGI-SWHYSGLUSA-N 1 2 299.378 1.297 20 30 CDEDLO CC#CCCCC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000183758204 705477444 /nfs/dbraw/zinc/47/74/44/705477444.db2.gz UQQGEOSJGCPUTC-ZDUSSCGKSA-N 1 2 253.342 1.444 20 30 CDEDLO C=C(C)CNC(=S)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000788333691 705505618 /nfs/dbraw/zinc/50/56/18/705505618.db2.gz PCKJBNSBFURFBK-LBPRGKRZSA-N 1 2 271.430 1.090 20 30 CDEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+](CCC#N)CC(C)C ZINC000049800796 705512642 /nfs/dbraw/zinc/51/26/42/705512642.db2.gz LQAJGHWTEAVIFW-NSHDSACASA-N 1 2 268.361 1.092 20 30 CDEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+](CCC#N)CC(C)C ZINC000049800796 705512654 /nfs/dbraw/zinc/51/26/54/705512654.db2.gz LQAJGHWTEAVIFW-NSHDSACASA-N 1 2 268.361 1.092 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cccn1C)CO2 ZINC001053743624 705520197 /nfs/dbraw/zinc/52/01/97/705520197.db2.gz VYXWVCZKUIXJOZ-ZDUSSCGKSA-N 1 2 289.379 1.174 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC)C(=O)OC(C)(C)C ZINC000844091854 705555651 /nfs/dbraw/zinc/55/56/51/705555651.db2.gz MYKACKCISDXNHV-STQMWFEESA-N 1 2 294.395 1.321 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC)C(=O)OC(C)(C)C ZINC000844091854 705555655 /nfs/dbraw/zinc/55/56/55/705555655.db2.gz MYKACKCISDXNHV-STQMWFEESA-N 1 2 294.395 1.321 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccn(C(F)F)n2)CC1 ZINC000775687054 705565349 /nfs/dbraw/zinc/56/53/49/705565349.db2.gz UIRFCZBCFKWVEO-UHFFFAOYSA-N 1 2 282.294 1.059 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001054049928 705586009 /nfs/dbraw/zinc/58/60/09/705586009.db2.gz NQPHJIPYCGAAHI-XOKHGSTOSA-N 1 2 282.387 1.819 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001054049928 705586019 /nfs/dbraw/zinc/58/60/19/705586019.db2.gz NQPHJIPYCGAAHI-XOKHGSTOSA-N 1 2 282.387 1.819 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc(CCC)s2)C1 ZINC000923572877 705589907 /nfs/dbraw/zinc/58/99/07/705589907.db2.gz HFQQMRBFASXPJC-GFCCVEGCSA-N 1 2 291.420 1.923 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc(CCC)s2)C1 ZINC000923572877 705589917 /nfs/dbraw/zinc/58/99/17/705589917.db2.gz HFQQMRBFASXPJC-GFCCVEGCSA-N 1 2 291.420 1.923 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccc(OC)cn2)C1 ZINC001030840259 705605585 /nfs/dbraw/zinc/60/55/85/705605585.db2.gz CTCOLAVYROJQGS-UHFFFAOYSA-N 1 2 275.352 1.009 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@](C)(CC)C1 ZINC000884163479 705609367 /nfs/dbraw/zinc/60/93/67/705609367.db2.gz HXEJVMPMFSUJIQ-FZMZJTMJSA-N 1 2 268.357 1.082 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnc3[nH]ccc3c2)C1 ZINC001042998938 705621037 /nfs/dbraw/zinc/62/10/37/705621037.db2.gz XXMSWROXUNOVPM-UHFFFAOYSA-N 1 2 284.363 1.847 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2nc(C)n3ccccc23)C1 ZINC001043339967 705637261 /nfs/dbraw/zinc/63/72/61/705637261.db2.gz BVTKXSRIPYJFOS-UHFFFAOYSA-N 1 2 298.390 1.975 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cocc1C ZINC001051069214 705688971 /nfs/dbraw/zinc/68/89/71/705688971.db2.gz LXWJEYKCZOGWQR-ZDUSSCGKSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cocc1C ZINC001051069214 705688972 /nfs/dbraw/zinc/68/89/72/705688972.db2.gz LXWJEYKCZOGWQR-ZDUSSCGKSA-N 1 2 278.352 1.595 20 30 CDEDLO C#CCOc1ccccc1NC(=O)Cc1c[nH+]cn1C ZINC000807275435 705724161 /nfs/dbraw/zinc/72/41/61/705724161.db2.gz DRUXMMVRZSEEEZ-UHFFFAOYSA-N 1 2 269.304 1.613 20 30 CDEDLO Cc1[nH]ncc1[C@H](C)[NH2+]CCNc1ccc(C#N)cn1 ZINC000927162171 705725461 /nfs/dbraw/zinc/72/54/61/705725461.db2.gz CGRJLNSKMHSVOE-JTQLQIEISA-N 1 2 270.340 1.748 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1O ZINC001017366012 705736994 /nfs/dbraw/zinc/73/69/94/705736994.db2.gz IDLCZUOACDHWKZ-BETUJISGSA-N 1 2 272.348 1.867 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1O ZINC001017366012 705737007 /nfs/dbraw/zinc/73/70/07/705737007.db2.gz IDLCZUOACDHWKZ-BETUJISGSA-N 1 2 272.348 1.867 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccnc1 ZINC001039531600 705752606 /nfs/dbraw/zinc/75/26/06/705752606.db2.gz ROPWIFFYJNLVCO-BMFZPTHFSA-N 1 2 298.390 1.807 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccnc1 ZINC001039531600 705752612 /nfs/dbraw/zinc/75/26/12/705752612.db2.gz ROPWIFFYJNLVCO-BMFZPTHFSA-N 1 2 298.390 1.807 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852435231 705768252 /nfs/dbraw/zinc/76/82/52/705768252.db2.gz KNWLVRYIWFPHSM-CQSZACIVSA-N 1 2 289.310 1.724 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852435231 705768259 /nfs/dbraw/zinc/76/82/59/705768259.db2.gz KNWLVRYIWFPHSM-CQSZACIVSA-N 1 2 289.310 1.724 20 30 CDEDLO C[C@@H](C(=O)NCc1ccc(C#N)cn1)[NH+]1CCSCC1 ZINC000782030095 705792799 /nfs/dbraw/zinc/79/27/99/705792799.db2.gz GOIYHPWIIIKOKB-NSHDSACASA-N 1 2 290.392 1.007 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3C[C@@H](NCC#N)C[C@H]3C)ccn12 ZINC000988844154 705804751 /nfs/dbraw/zinc/80/47/51/705804751.db2.gz MVKLYGPPKYGBMK-RISCZKNCSA-N 1 2 297.362 1.359 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCF)C2)cc1 ZINC001015483763 705809194 /nfs/dbraw/zinc/80/91/94/705809194.db2.gz YNYBFKPMUQMHEZ-AWEZNQCLSA-N 1 2 260.312 1.442 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCF)C2)cc1 ZINC001015483763 705809197 /nfs/dbraw/zinc/80/91/97/705809197.db2.gz YNYBFKPMUQMHEZ-AWEZNQCLSA-N 1 2 260.312 1.442 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)CC2CC(F)(F)C2)C1 ZINC001030545644 705823557 /nfs/dbraw/zinc/82/35/57/705823557.db2.gz AEKWDLZKOQCTTM-UHFFFAOYSA-N 1 2 256.296 1.246 20 30 CDEDLO C=C1CCC(C(=O)O[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000885652190 705846715 /nfs/dbraw/zinc/84/67/15/705846715.db2.gz PFWNSSMSOJOAOT-ZDUSSCGKSA-N 1 2 267.369 1.997 20 30 CDEDLO C#C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000775343025 705853086 /nfs/dbraw/zinc/85/30/86/705853086.db2.gz USYCSZQWOPJQPM-QWRGUYRKSA-N 1 2 266.322 1.927 20 30 CDEDLO N#CCN[C@H]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000981223971 705875879 /nfs/dbraw/zinc/87/58/79/705875879.db2.gz QHIYQCGJGJCEFU-QWHCGFSZSA-N 1 2 297.362 1.488 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(OC)cc2F)C1 ZINC001043242197 705884394 /nfs/dbraw/zinc/88/43/94/705884394.db2.gz QVHBRWYCAOCLHS-UHFFFAOYSA-N 1 2 290.338 1.614 20 30 CDEDLO C#CCOc1ccccc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000793858665 705887102 /nfs/dbraw/zinc/88/71/02/705887102.db2.gz QKBQJRQVQORAFX-UHFFFAOYSA-N 1 2 269.304 1.993 20 30 CDEDLO C#CCOc1ccccc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000793858665 705887104 /nfs/dbraw/zinc/88/71/04/705887104.db2.gz QKBQJRQVQORAFX-UHFFFAOYSA-N 1 2 269.304 1.993 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(C)nc2C)C1 ZINC001031428243 705894740 /nfs/dbraw/zinc/89/47/40/705894740.db2.gz MNOLDGPPBCSZHT-UHFFFAOYSA-N 1 2 259.353 1.689 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2nc3c(o2)CCCC3)nn1 ZINC000881309718 705960077 /nfs/dbraw/zinc/96/00/77/705960077.db2.gz DGOAYGQILAEMFN-UHFFFAOYSA-N 1 2 285.351 1.306 20 30 CDEDLO NC(Cc1ccccc1)=[NH+]OCC(=O)N1CCCCC1 ZINC000108038688 705982067 /nfs/dbraw/zinc/98/20/67/705982067.db2.gz WKWWKYBSAGVRGW-UHFFFAOYSA-N 1 2 275.352 1.530 20 30 CDEDLO C#CC[NH+]1CC(CNC(=O)c2cc(=O)c3ccccc3o2)C1 ZINC001032165887 705992398 /nfs/dbraw/zinc/99/23/98/705992398.db2.gz VWBSUUVOFBGLMK-UHFFFAOYSA-N 1 2 296.326 1.088 20 30 CDEDLO C#CCNC(=O)CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000815078450 706026099 /nfs/dbraw/zinc/02/60/99/706026099.db2.gz ZAHSTPQHVNYYGI-MRXNPFEDSA-N 1 2 297.358 1.071 20 30 CDEDLO C#CCNC(=O)CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000815078450 706026103 /nfs/dbraw/zinc/02/61/03/706026103.db2.gz ZAHSTPQHVNYYGI-MRXNPFEDSA-N 1 2 297.358 1.071 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCC1(CC#N)CC1 ZINC000922304541 706033172 /nfs/dbraw/zinc/03/31/72/706033172.db2.gz SBGROEASBJQHIN-ZDUSSCGKSA-N 1 2 294.399 1.090 20 30 CDEDLO C=CCC[N@H+]1CCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001072760662 706071530 /nfs/dbraw/zinc/07/15/30/706071530.db2.gz JWZJZUBMAADWBY-JTQLQIEISA-N 1 2 294.292 1.997 20 30 CDEDLO C=CCC[N@@H+]1CCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001072760662 706071535 /nfs/dbraw/zinc/07/15/35/706071535.db2.gz JWZJZUBMAADWBY-JTQLQIEISA-N 1 2 294.292 1.997 20 30 CDEDLO C=CCC[N@H+]1CCC2(CN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001072760662 706071538 /nfs/dbraw/zinc/07/15/38/706071538.db2.gz JWZJZUBMAADWBY-JTQLQIEISA-N 1 2 294.292 1.997 20 30 CDEDLO C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001072760662 706071540 /nfs/dbraw/zinc/07/15/40/706071540.db2.gz JWZJZUBMAADWBY-JTQLQIEISA-N 1 2 294.292 1.997 20 30 CDEDLO C#C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000185358176 706080872 /nfs/dbraw/zinc/08/08/72/706080872.db2.gz OEFJUNXELNCYBG-JTQLQIEISA-N 1 2 284.275 1.532 20 30 CDEDLO C#C[C@@H](NC(=O)NCc1c[nH+]c(C)cc1C)[C@H]1CCCO1 ZINC000836408927 706182593 /nfs/dbraw/zinc/18/25/93/706182593.db2.gz OTAGKOAITFQRJO-HUUCEWRRSA-N 1 2 287.363 1.678 20 30 CDEDLO N#Cc1cccc(CNC(=O)C[NH+]2CCC(F)(F)CC2)c1 ZINC000796541068 706204143 /nfs/dbraw/zinc/20/41/43/706204143.db2.gz OXJLHFLBFJEPSX-UHFFFAOYSA-N 1 2 293.317 1.906 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CCCO2)c1 ZINC001038023895 706236630 /nfs/dbraw/zinc/23/66/30/706236630.db2.gz CONAYTIXCGBOGM-JKSUJKDBSA-N 1 2 299.374 1.428 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CCCO2)c1 ZINC001038023895 706236637 /nfs/dbraw/zinc/23/66/37/706236637.db2.gz CONAYTIXCGBOGM-JKSUJKDBSA-N 1 2 299.374 1.428 20 30 CDEDLO C=C1CCC(C(=O)NC[C@@H]2COCC[N@H+]2CC)CC1 ZINC001051098235 709529628 /nfs/dbraw/zinc/52/96/28/709529628.db2.gz CGQZMADWJMTZLO-CQSZACIVSA-N 1 2 266.385 1.570 20 30 CDEDLO C=C1CCC(C(=O)NC[C@@H]2COCC[N@@H+]2CC)CC1 ZINC001051098235 709529639 /nfs/dbraw/zinc/52/96/39/709529639.db2.gz CGQZMADWJMTZLO-CQSZACIVSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccns2)C1 ZINC001007443097 709587903 /nfs/dbraw/zinc/58/79/03/709587903.db2.gz KFHZXLBWVMHFQI-SNVBAGLBSA-N 1 2 251.355 1.523 20 30 CDEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccns2)C1 ZINC001007443097 709587931 /nfs/dbraw/zinc/58/79/31/709587931.db2.gz KFHZXLBWVMHFQI-SNVBAGLBSA-N 1 2 251.355 1.523 20 30 CDEDLO C=CC[N@H+](CN1CCSC1=S)[C@@H](C)COC ZINC000853532733 709705797 /nfs/dbraw/zinc/70/57/97/709705797.db2.gz KSZLBYNLTWROIM-JTQLQIEISA-N 1 2 260.428 1.801 20 30 CDEDLO C=CC[N@@H+](CN1CCSC1=S)[C@@H](C)COC ZINC000853532733 709705806 /nfs/dbraw/zinc/70/58/06/709705806.db2.gz KSZLBYNLTWROIM-JTQLQIEISA-N 1 2 260.428 1.801 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(c2cc(C)no2)CC1 ZINC001032588825 709733135 /nfs/dbraw/zinc/73/31/35/709733135.db2.gz VWVPXBUXSAWVFO-KBPBESRZSA-N 1 2 299.374 1.323 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(c2cc(C)no2)CC1 ZINC001032588825 709733149 /nfs/dbraw/zinc/73/31/49/709733149.db2.gz VWVPXBUXSAWVFO-KBPBESRZSA-N 1 2 299.374 1.323 20 30 CDEDLO Cc1cc(C)c(C(=O)NCC2CN(CC#N)C2)c(C)[nH+]1 ZINC001031863178 709741412 /nfs/dbraw/zinc/74/14/12/709741412.db2.gz FKXDBHTZHLMEGW-UHFFFAOYSA-N 1 2 272.352 1.192 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cncc(CC)c1 ZINC001038521126 709757251 /nfs/dbraw/zinc/75/72/51/709757251.db2.gz VIEDVMWCIARMMS-CQSZACIVSA-N 1 2 257.337 1.081 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncc(CC)c1 ZINC001038521126 709757261 /nfs/dbraw/zinc/75/72/61/709757261.db2.gz VIEDVMWCIARMMS-CQSZACIVSA-N 1 2 257.337 1.081 20 30 CDEDLO CC[C@@H](F)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017541915 709801782 /nfs/dbraw/zinc/80/17/82/709801782.db2.gz MTIQWWRDTVQVLB-KFWWJZLASA-N 1 2 278.371 1.823 20 30 CDEDLO CC[C@@H](F)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017541915 709801783 /nfs/dbraw/zinc/80/17/83/709801783.db2.gz MTIQWWRDTVQVLB-KFWWJZLASA-N 1 2 278.371 1.823 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001051074021 709816843 /nfs/dbraw/zinc/81/68/43/709816843.db2.gz FLGWWDPKKMMJDQ-UONOGXRCSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001051074021 709816845 /nfs/dbraw/zinc/81/68/45/709816845.db2.gz FLGWWDPKKMMJDQ-UONOGXRCSA-N 1 2 280.412 1.816 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccc3c2CCOC3)C1 ZINC001043312666 709869905 /nfs/dbraw/zinc/86/99/05/709869905.db2.gz DRHZWGLICOYGQS-UHFFFAOYSA-N 1 2 298.386 1.539 20 30 CDEDLO C[C@H]1CCCCN1C(=O)CO[NH+]=C(N)c1ccccc1 ZINC000072807317 709870404 /nfs/dbraw/zinc/87/04/04/709870404.db2.gz HXPGHKIHEUFCMY-LBPRGKRZSA-N 1 2 275.352 1.725 20 30 CDEDLO C#CCn1cc(CNC(=O)c2cccc3[nH+]ccn32)cn1 ZINC000788212467 709870513 /nfs/dbraw/zinc/87/05/13/709870513.db2.gz QKFAWIZWNQVMBF-UHFFFAOYSA-N 1 2 279.303 1.094 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCc3cccc(OC)c32)C1 ZINC001031069427 709891453 /nfs/dbraw/zinc/89/14/53/709891453.db2.gz OXWMLIMDYYFLMY-OAHLLOKOSA-N 1 2 298.386 1.549 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2oc(CC)cc2C)CC1 ZINC000989487594 709894241 /nfs/dbraw/zinc/89/42/41/709894241.db2.gz AWTYHKXNZUSBPG-UHFFFAOYSA-N 1 2 274.364 1.932 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2oc(CC)cc2C)CC1 ZINC000989487594 709894245 /nfs/dbraw/zinc/89/42/45/709894245.db2.gz AWTYHKXNZUSBPG-UHFFFAOYSA-N 1 2 274.364 1.932 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccccc2O)C1 ZINC001042487447 709943394 /nfs/dbraw/zinc/94/33/94/709943394.db2.gz TXYJWAKBCWEBES-UHFFFAOYSA-N 1 2 260.337 1.725 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2nccc3[nH]ccc32)C1 ZINC001043910317 710027398 /nfs/dbraw/zinc/02/73/98/710027398.db2.gz IIHLRCYIGQHRKW-UHFFFAOYSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000805840099 710044581 /nfs/dbraw/zinc/04/45/81/710044581.db2.gz XIUMBEKMXLXVRA-CYBMUJFWSA-N 1 2 262.378 1.880 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000805840099 710044587 /nfs/dbraw/zinc/04/45/87/710044587.db2.gz XIUMBEKMXLXVRA-CYBMUJFWSA-N 1 2 262.378 1.880 20 30 CDEDLO C#C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC000807877975 710064040 /nfs/dbraw/zinc/06/40/40/710064040.db2.gz CIEYJISDURICQD-NEPJUHHUSA-N 1 2 259.353 1.610 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc[nH]c1CC ZINC001050909788 710089261 /nfs/dbraw/zinc/08/92/61/710089261.db2.gz XARVUHRLIPHLFX-CYBMUJFWSA-N 1 2 291.395 1.584 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc[nH]c1CC ZINC001050909788 710089268 /nfs/dbraw/zinc/08/92/68/710089268.db2.gz XARVUHRLIPHLFX-CYBMUJFWSA-N 1 2 291.395 1.584 20 30 CDEDLO Cc1ccnc(NC(=O)C[N@@H+](C)CCO[C@@H](C)C#N)c1 ZINC000801918328 710102410 /nfs/dbraw/zinc/10/24/10/710102410.db2.gz JJDNGUVZBAFLLM-LBPRGKRZSA-N 1 2 276.340 1.189 20 30 CDEDLO Cc1ccnc(NC(=O)C[N@H+](C)CCO[C@@H](C)C#N)c1 ZINC000801918328 710102411 /nfs/dbraw/zinc/10/24/11/710102411.db2.gz JJDNGUVZBAFLLM-LBPRGKRZSA-N 1 2 276.340 1.189 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(F)c1OCC ZINC001038858650 710148275 /nfs/dbraw/zinc/14/82/75/710148275.db2.gz YRTRBNWKEWYNEK-GFCCVEGCSA-N 1 2 290.338 1.662 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(F)c1OCC ZINC001038858650 710148286 /nfs/dbraw/zinc/14/82/86/710148286.db2.gz YRTRBNWKEWYNEK-GFCCVEGCSA-N 1 2 290.338 1.662 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2nnn(C)c2C)CC1 ZINC001002516657 710165188 /nfs/dbraw/zinc/16/51/88/710165188.db2.gz KJWGHXPUAKLEOV-UHFFFAOYSA-N 1 2 297.790 1.070 20 30 CDEDLO Cc1nc(NC[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)cc[nH+]1 ZINC001053652961 710167354 /nfs/dbraw/zinc/16/73/54/710167354.db2.gz CTYIFFMYIJONPB-NQBHXWOUSA-N 1 2 287.367 1.451 20 30 CDEDLO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1scnc1Cl ZINC001032785268 710170421 /nfs/dbraw/zinc/17/04/21/710170421.db2.gz CORYGSDMUFFZTB-UWVGGRQHSA-N 1 2 295.795 1.719 20 30 CDEDLO C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1scnc1Cl ZINC001032785268 710170432 /nfs/dbraw/zinc/17/04/32/710170432.db2.gz CORYGSDMUFFZTB-UWVGGRQHSA-N 1 2 295.795 1.719 20 30 CDEDLO CON=Cc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000857964936 710212028 /nfs/dbraw/zinc/21/20/28/710212028.db2.gz DIEWSNYTWBQRIN-AWEZNQCLSA-N 1 2 298.346 1.608 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C(F)=C2CCCC2)C1 ZINC001030212221 710216317 /nfs/dbraw/zinc/21/63/17/710216317.db2.gz MKAAGQMTFJFAGR-UHFFFAOYSA-N 1 2 250.317 1.608 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CCC)n[nH]1 ZINC001032553272 710224900 /nfs/dbraw/zinc/22/49/00/710224900.db2.gz VFJYJXWNIWEGJJ-KBPBESRZSA-N 1 2 286.379 1.284 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CCC)n[nH]1 ZINC001032553272 710224903 /nfs/dbraw/zinc/22/49/03/710224903.db2.gz VFJYJXWNIWEGJJ-KBPBESRZSA-N 1 2 286.379 1.284 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(CC)c(CC)o1 ZINC001038918911 710231712 /nfs/dbraw/zinc/23/17/12/710231712.db2.gz FTMHKEGYQPUTHT-ZDUSSCGKSA-N 1 2 274.364 1.842 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(CC)c(CC)o1 ZINC001038918911 710231713 /nfs/dbraw/zinc/23/17/13/710231713.db2.gz FTMHKEGYQPUTHT-ZDUSSCGKSA-N 1 2 274.364 1.842 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCO[C@@H](CC)C2)C1 ZINC001031216759 710248626 /nfs/dbraw/zinc/24/86/26/710248626.db2.gz ZUXJOOVQIOYROJ-JSGCOSHPSA-N 1 2 266.385 1.568 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC2(F)F)C1 ZINC001035359518 710265359 /nfs/dbraw/zinc/26/53/59/710265359.db2.gz UAFCEWJHGNBHNG-GHMZBOCLSA-N 1 2 274.311 1.035 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC2(F)F)C1 ZINC001035359518 710265361 /nfs/dbraw/zinc/26/53/61/710265361.db2.gz UAFCEWJHGNBHNG-GHMZBOCLSA-N 1 2 274.311 1.035 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC[C@H](OC)C2)C1 ZINC001030555343 710267671 /nfs/dbraw/zinc/26/76/71/710267671.db2.gz LJWSGIGORVZHKJ-AAEUAGOBSA-N 1 2 252.358 1.178 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC001038643294 710309153 /nfs/dbraw/zinc/30/91/53/710309153.db2.gz YXYIVQQUMKFQFU-CYBMUJFWSA-N 1 2 297.358 1.614 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC001038643294 710309155 /nfs/dbraw/zinc/30/91/55/710309155.db2.gz YXYIVQQUMKFQFU-CYBMUJFWSA-N 1 2 297.358 1.614 20 30 CDEDLO C=C(C)CONC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000845605055 710310950 /nfs/dbraw/zinc/31/09/50/710310950.db2.gz HTKYKDZOHDHVHB-SNVBAGLBSA-N 1 2 250.302 1.005 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@H]3CC[C@H](C)O3)C2)cn1 ZINC001031278445 710320203 /nfs/dbraw/zinc/32/02/03/710320203.db2.gz MUVWLARPAXDVNE-BLLLJJGKSA-N 1 2 299.374 1.044 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2sccc2COC)CC1 ZINC000989478200 710321364 /nfs/dbraw/zinc/32/13/64/710321364.db2.gz SPQRVTLHESONMV-UHFFFAOYSA-N 1 2 292.404 1.676 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2sccc2COC)CC1 ZINC000989478200 710321368 /nfs/dbraw/zinc/32/13/68/710321368.db2.gz SPQRVTLHESONMV-UHFFFAOYSA-N 1 2 292.404 1.676 20 30 CDEDLO CC[C@@H](CO)[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000930923164 710325769 /nfs/dbraw/zinc/32/57/69/710325769.db2.gz KASYHYYMJPEGQY-DZGCQCFKSA-N 1 2 259.353 1.710 20 30 CDEDLO CC[C@@H](CO)[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000930923164 710325770 /nfs/dbraw/zinc/32/57/70/710325770.db2.gz KASYHYYMJPEGQY-DZGCQCFKSA-N 1 2 259.353 1.710 20 30 CDEDLO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@](O)(CC#N)C2)c1O ZINC000829982960 710342910 /nfs/dbraw/zinc/34/29/10/710342910.db2.gz JTTHXLOFBQZWEB-OAHLLOKOSA-N 1 2 292.310 1.584 20 30 CDEDLO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@](O)(CC#N)C2)c1O ZINC000829982960 710342914 /nfs/dbraw/zinc/34/29/14/710342914.db2.gz JTTHXLOFBQZWEB-OAHLLOKOSA-N 1 2 292.310 1.584 20 30 CDEDLO CCOC(=O)[C@H]1CCCC[N@H+]1CCO[C@H](C)C#N ZINC000381073359 710386275 /nfs/dbraw/zinc/38/62/75/710386275.db2.gz DJECFIXWHXYDNS-VXGBXAGGSA-N 1 2 254.330 1.333 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1cscn1)C2 ZINC001072544571 710347897 /nfs/dbraw/zinc/34/78/97/710347897.db2.gz QGDVPYTUPOQPSJ-NSHDSACASA-N 1 2 290.392 1.337 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1cscn1)C2 ZINC001072544571 710347901 /nfs/dbraw/zinc/34/79/01/710347901.db2.gz QGDVPYTUPOQPSJ-NSHDSACASA-N 1 2 290.392 1.337 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC=CCC1 ZINC001032275235 710357468 /nfs/dbraw/zinc/35/74/68/710357468.db2.gz VUAAOEGIYHIRER-KKUMJFAQSA-N 1 2 258.365 1.651 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC=CCC1 ZINC001032275235 710357469 /nfs/dbraw/zinc/35/74/69/710357469.db2.gz VUAAOEGIYHIRER-KKUMJFAQSA-N 1 2 258.365 1.651 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(C)C)cn1 ZINC001032626856 710363739 /nfs/dbraw/zinc/36/37/39/710363739.db2.gz MYUGAGBLXJSVDP-GJZGRUSLSA-N 1 2 283.375 1.737 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(C)C)cn1 ZINC001032626856 710363743 /nfs/dbraw/zinc/36/37/43/710363743.db2.gz MYUGAGBLXJSVDP-GJZGRUSLSA-N 1 2 283.375 1.737 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(F)c2Cl)C1 ZINC001031007574 710365476 /nfs/dbraw/zinc/36/54/76/710365476.db2.gz GWJQNLVNVGDHIT-UHFFFAOYSA-N 1 2 280.730 1.916 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)/C=C(/C)C1CC1)CCO2 ZINC001053174388 710377844 /nfs/dbraw/zinc/37/78/44/710377844.db2.gz FKAHJENGRJPKOC-UVTDQMKNSA-N 1 2 290.407 1.832 20 30 CDEDLO CCOC(=O)[C@H]1CCCC[N@@H+]1CCO[C@H](C)C#N ZINC000381073359 710386272 /nfs/dbraw/zinc/38/62/72/710386272.db2.gz DJECFIXWHXYDNS-VXGBXAGGSA-N 1 2 254.330 1.333 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cn1c2cc(C)ccc2oc1=O ZINC000853619959 710402579 /nfs/dbraw/zinc/40/25/79/710402579.db2.gz OOKUCNJYXIAIQF-UHFFFAOYSA-N 1 2 288.347 1.832 20 30 CDEDLO C#CCC[N@H+](CCOC)Cn1c2cc(C)ccc2oc1=O ZINC000853619959 710402580 /nfs/dbraw/zinc/40/25/80/710402580.db2.gz OOKUCNJYXIAIQF-UHFFFAOYSA-N 1 2 288.347 1.832 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@](C)(CC)OC ZINC000833798771 710429254 /nfs/dbraw/zinc/42/92/54/710429254.db2.gz DYGUSZNTZBTCLS-JSGCOSHPSA-N 1 2 252.358 1.015 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@](C)(CC)OC ZINC000833798771 710429255 /nfs/dbraw/zinc/42/92/55/710429255.db2.gz DYGUSZNTZBTCLS-JSGCOSHPSA-N 1 2 252.358 1.015 20 30 CDEDLO Cc1nc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@H](C)C#N)cc[nH+]1 ZINC001064465404 710411356 /nfs/dbraw/zinc/41/13/56/710411356.db2.gz JULQGAOZENWUSE-BNOWGMLFSA-N 1 2 299.378 1.514 20 30 CDEDLO CCOC(=O)c1ccc(N[NH+]=Cc2cnc(N)nc2)cc1C ZINC000812228335 710414955 /nfs/dbraw/zinc/41/49/55/710414955.db2.gz LXXFGUBQPRYALG-UHFFFAOYSA-N 1 2 299.334 1.990 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1conc1C1CC1 ZINC001038686338 710422538 /nfs/dbraw/zinc/42/25/38/710422538.db2.gz CYCBNEFMTQJPEG-LLVKDONJSA-N 1 2 261.325 1.542 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1conc1C1CC1 ZINC001038686338 710422541 /nfs/dbraw/zinc/42/25/41/710422541.db2.gz CYCBNEFMTQJPEG-LLVKDONJSA-N 1 2 261.325 1.542 20 30 CDEDLO Cc1cc(C)c(C(=O)NC[C@H]2CCN2CC#N)c(C)[nH+]1 ZINC001038532855 710445156 /nfs/dbraw/zinc/44/51/56/710445156.db2.gz QURWWLMGJQNTQN-CYBMUJFWSA-N 1 2 272.352 1.335 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001027882404 710445599 /nfs/dbraw/zinc/44/55/99/710445599.db2.gz NTZATCLJUWWUJP-QWHCGFSZSA-N 1 2 288.395 1.596 20 30 CDEDLO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001027882404 710445602 /nfs/dbraw/zinc/44/56/02/710445602.db2.gz NTZATCLJUWWUJP-QWHCGFSZSA-N 1 2 288.395 1.596 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CC3CC3)C[C@H]21 ZINC001074140125 710447083 /nfs/dbraw/zinc/44/70/83/710447083.db2.gz BSHOTDXFAZPSOR-CABCVRRESA-N 1 2 276.380 1.112 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC3CC3)C[C@H]21 ZINC001074140125 710447087 /nfs/dbraw/zinc/44/70/87/710447087.db2.gz BSHOTDXFAZPSOR-CABCVRRESA-N 1 2 276.380 1.112 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2cc[nH]n2)CC[C@H]1C ZINC001071405066 710448597 /nfs/dbraw/zinc/44/85/97/710448597.db2.gz YIGRCHYKLRESJS-YPMHNXCESA-N 1 2 296.802 1.674 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2cc[nH]n2)CC[C@H]1C ZINC001071405066 710448599 /nfs/dbraw/zinc/44/85/99/710448599.db2.gz YIGRCHYKLRESJS-YPMHNXCESA-N 1 2 296.802 1.674 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1F ZINC001032316758 710518214 /nfs/dbraw/zinc/51/82/14/710518214.db2.gz FOJPJWFEUXCEPR-UBHSHLNASA-N 1 2 287.338 1.770 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1F ZINC001032316758 710518217 /nfs/dbraw/zinc/51/82/17/710518217.db2.gz FOJPJWFEUXCEPR-UBHSHLNASA-N 1 2 287.338 1.770 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn3cc[nH]c23)C1 ZINC001016103950 710521503 /nfs/dbraw/zinc/52/15/03/710521503.db2.gz MWOKEFZSNKXICR-JTQLQIEISA-N 1 2 293.758 1.219 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn3cc[nH]c23)C1 ZINC001016103950 710521509 /nfs/dbraw/zinc/52/15/09/710521509.db2.gz MWOKEFZSNKXICR-JTQLQIEISA-N 1 2 293.758 1.219 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2cc(C)ccc2F)C1 ZINC001031289245 710539543 /nfs/dbraw/zinc/53/95/43/710539543.db2.gz VLTIZDQTUMTYOF-UHFFFAOYSA-N 1 2 274.339 1.500 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2COC3(C[NH+](CC)C3)C2)C1 ZINC001053919154 710564285 /nfs/dbraw/zinc/56/42/85/710564285.db2.gz GEEVFUQLOLYKIP-LBPRGKRZSA-N 1 2 264.369 1.322 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@H]1CC ZINC000884166639 710569335 /nfs/dbraw/zinc/56/93/35/710569335.db2.gz HSYSCVXKYKXXCQ-GRYCIOLGSA-N 1 2 268.357 1.128 20 30 CDEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)CC)C2)CC1 ZINC001051985401 710584260 /nfs/dbraw/zinc/58/42/60/710584260.db2.gz XUOPRQPBWWXBSC-CVEARBPZSA-N 1 2 291.439 1.274 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)onc1CC ZINC001032779114 710593889 /nfs/dbraw/zinc/59/38/89/710593889.db2.gz YXLASFFOAZVYAZ-STQMWFEESA-N 1 2 287.363 1.467 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)onc1CC ZINC001032779114 710593897 /nfs/dbraw/zinc/59/38/97/710593897.db2.gz YXLASFFOAZVYAZ-STQMWFEESA-N 1 2 287.363 1.467 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC1(C)C)CO2 ZINC001053780253 710616824 /nfs/dbraw/zinc/61/68/24/710616824.db2.gz DXRKURJVUUBTMR-OLZOCXBDSA-N 1 2 278.396 1.568 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2ccc(C)cc2n1 ZINC001032502867 710670187 /nfs/dbraw/zinc/67/01/87/710670187.db2.gz ANWLEAHLFUNOMV-KBPBESRZSA-N 1 2 294.358 1.175 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2ccc(C)cc2n1 ZINC001032502867 710670206 /nfs/dbraw/zinc/67/02/06/710670206.db2.gz ANWLEAHLFUNOMV-KBPBESRZSA-N 1 2 294.358 1.175 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001035324043 710711094 /nfs/dbraw/zinc/71/10/94/710711094.db2.gz YFUKAQQXDYVJCQ-CAOSSQGBSA-N 1 2 292.423 1.816 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001035324043 710711102 /nfs/dbraw/zinc/71/11/02/710711102.db2.gz YFUKAQQXDYVJCQ-CAOSSQGBSA-N 1 2 292.423 1.816 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2nccnc21 ZINC001032698626 710711876 /nfs/dbraw/zinc/71/18/76/710711876.db2.gz UTEFFRGOCXDCEZ-STQMWFEESA-N 1 2 292.342 1.162 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2nccnc21 ZINC001032698626 710711881 /nfs/dbraw/zinc/71/18/81/710711881.db2.gz UTEFFRGOCXDCEZ-STQMWFEESA-N 1 2 292.342 1.162 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2OCCc3ccccc32)C1 ZINC001030775190 710720187 /nfs/dbraw/zinc/72/01/87/710720187.db2.gz YUQDKMBMIYHVTK-MRXNPFEDSA-N 1 2 286.375 1.677 20 30 CDEDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc(C#N)cn1)C1CC1 ZINC000783294341 710732255 /nfs/dbraw/zinc/73/22/55/710732255.db2.gz NZNOEOHPLWEFJI-CQSZACIVSA-N 1 2 267.336 1.928 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C2CC2)cnn1C ZINC001017609940 710742195 /nfs/dbraw/zinc/74/21/95/710742195.db2.gz SIYBAPZCFFXSSA-OKILXGFUSA-N 1 2 298.390 1.220 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C2CC2)cnn1C ZINC001017609940 710742198 /nfs/dbraw/zinc/74/21/98/710742198.db2.gz SIYBAPZCFFXSSA-OKILXGFUSA-N 1 2 298.390 1.220 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2c(C)onc2C2CC2)C1 ZINC001007966771 710812542 /nfs/dbraw/zinc/81/25/42/710812542.db2.gz ISUXZMBSRGHTRQ-ZDUSSCGKSA-N 1 2 287.363 1.688 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2c(C)onc2C2CC2)C1 ZINC001007966771 710812543 /nfs/dbraw/zinc/81/25/43/710812543.db2.gz ISUXZMBSRGHTRQ-ZDUSSCGKSA-N 1 2 287.363 1.688 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@]13C[C@H]1CCC3)O2 ZINC001053632326 710838745 /nfs/dbraw/zinc/83/87/45/710838745.db2.gz XJKOEGIRKJNOJX-CKEIUWERSA-N 1 2 290.407 1.712 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc[nH]c2CC)C1 ZINC001042681779 710838990 /nfs/dbraw/zinc/83/89/90/710838990.db2.gz IBGBKNKDQATJCE-UHFFFAOYSA-N 1 2 261.369 1.909 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1C(C)(C)C ZINC001038895611 710863259 /nfs/dbraw/zinc/86/32/59/710863259.db2.gz GBQWWCFITJOXEG-LLVKDONJSA-N 1 2 274.368 1.145 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1C(C)(C)C ZINC001038895611 710863265 /nfs/dbraw/zinc/86/32/65/710863265.db2.gz GBQWWCFITJOXEG-LLVKDONJSA-N 1 2 274.368 1.145 20 30 CDEDLO C=C(C)CONC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000845597531 711381345 /nfs/dbraw/zinc/38/13/45/711381345.db2.gz CXKILSQCYRMLLZ-CYBMUJFWSA-N 1 2 283.372 1.000 20 30 CDEDLO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2cn[nH]c21 ZINC001027885438 711409245 /nfs/dbraw/zinc/40/92/45/711409245.db2.gz FGGZEOSQTWKMAN-KGLIPLIRSA-N 1 2 288.395 1.596 20 30 CDEDLO C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2cn[nH]c21 ZINC001027885438 711409250 /nfs/dbraw/zinc/40/92/50/711409250.db2.gz FGGZEOSQTWKMAN-KGLIPLIRSA-N 1 2 288.395 1.596 20 30 CDEDLO C#Cc1cncc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000806773318 711443430 /nfs/dbraw/zinc/44/34/30/711443430.db2.gz LUJOAZMPHNYCLS-CYBMUJFWSA-N 1 2 280.331 1.806 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2cc[nH]c21 ZINC001038727749 711449012 /nfs/dbraw/zinc/44/90/12/711449012.db2.gz ROCMRMHCAXXBOU-CYBMUJFWSA-N 1 2 267.332 1.605 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2cc[nH]c21 ZINC001038727749 711449018 /nfs/dbraw/zinc/44/90/18/711449018.db2.gz ROCMRMHCAXXBOU-CYBMUJFWSA-N 1 2 267.332 1.605 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010671260 711457740 /nfs/dbraw/zinc/45/77/40/711457740.db2.gz SHCGLPIPSDMFKA-LLVKDONJSA-N 1 2 278.743 1.443 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010671260 711457741 /nfs/dbraw/zinc/45/77/41/711457741.db2.gz SHCGLPIPSDMFKA-LLVKDONJSA-N 1 2 278.743 1.443 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@](C)(C#N)CC ZINC000928647503 711470648 /nfs/dbraw/zinc/47/06/48/711470648.db2.gz LIOQHDKTRFAKCR-JSGCOSHPSA-N 1 2 267.373 1.153 20 30 CDEDLO N#CC1(C[C@H](O)C[N@@H+]2Cc3ccncc3C2)CCC1 ZINC000886203056 711477598 /nfs/dbraw/zinc/47/75/98/711477598.db2.gz LBLSRVQKZPWERE-AWEZNQCLSA-N 1 2 257.337 1.842 20 30 CDEDLO N#CC1(C[C@H](O)C[N@H+]2Cc3ccncc3C2)CCC1 ZINC000886203056 711477601 /nfs/dbraw/zinc/47/76/01/711477601.db2.gz LBLSRVQKZPWERE-AWEZNQCLSA-N 1 2 257.337 1.842 20 30 CDEDLO Cc1cc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)no1 ZINC000971218677 711482769 /nfs/dbraw/zinc/48/27/69/711482769.db2.gz QFCAWRWJVJOYON-MFKMUULPSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1cc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)no1 ZINC000971218677 711482772 /nfs/dbraw/zinc/48/27/72/711482772.db2.gz QFCAWRWJVJOYON-MFKMUULPSA-N 1 2 276.340 1.175 20 30 CDEDLO CCc1nocc1C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000852000801 711503590 /nfs/dbraw/zinc/50/35/90/711503590.db2.gz ZXJICQSKDUGHPQ-UHFFFAOYSA-N 1 2 297.362 1.826 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCCN2c2ccccc2)C1 ZINC001042879179 711533588 /nfs/dbraw/zinc/53/35/88/711533588.db2.gz VPYLXWLELAIIND-QGZVFWFLSA-N 1 2 299.418 1.984 20 30 CDEDLO C=CC[C@@H]1CCC[N@H+](Cn2nc3ccccn3c2=O)C1 ZINC000853537548 711563205 /nfs/dbraw/zinc/56/32/05/711563205.db2.gz ZMKDWUPTZXTVDQ-CYBMUJFWSA-N 1 2 272.352 1.742 20 30 CDEDLO C=CC[C@@H]1CCC[N@@H+](Cn2nc3ccccn3c2=O)C1 ZINC000853537548 711563207 /nfs/dbraw/zinc/56/32/07/711563207.db2.gz ZMKDWUPTZXTVDQ-CYBMUJFWSA-N 1 2 272.352 1.742 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1[nH]nnc1-c1ccccc1 ZINC001039057075 711575666 /nfs/dbraw/zinc/57/56/66/711575666.db2.gz PQWGCJGNLNUBRL-CYBMUJFWSA-N 1 2 297.362 1.462 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1[nH]nnc1-c1ccccc1 ZINC001039057075 711575668 /nfs/dbraw/zinc/57/56/68/711575668.db2.gz PQWGCJGNLNUBRL-CYBMUJFWSA-N 1 2 297.362 1.462 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cnc(C3CC3)s2)C1 ZINC001016039041 711588327 /nfs/dbraw/zinc/58/83/27/711588327.db2.gz ATALXNQGYOXDQJ-NSHDSACASA-N 1 2 275.377 1.458 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnc(C3CC3)s2)C1 ZINC001016039041 711588329 /nfs/dbraw/zinc/58/83/29/711588329.db2.gz ATALXNQGYOXDQJ-NSHDSACASA-N 1 2 275.377 1.458 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(OC)cc1C ZINC001038670404 711598286 /nfs/dbraw/zinc/59/82/86/711598286.db2.gz SWSMHFYIXZPAKJ-AWEZNQCLSA-N 1 2 286.375 1.831 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OC)cc1C ZINC001038670404 711598287 /nfs/dbraw/zinc/59/82/87/711598287.db2.gz SWSMHFYIXZPAKJ-AWEZNQCLSA-N 1 2 286.375 1.831 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2cccnc21 ZINC001032592932 711610849 /nfs/dbraw/zinc/61/08/49/711610849.db2.gz VKENOMICFIQTSU-JYJNAYRXSA-N 1 2 295.386 1.420 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2cccnc21 ZINC001032592932 711610851 /nfs/dbraw/zinc/61/08/51/711610851.db2.gz VKENOMICFIQTSU-JYJNAYRXSA-N 1 2 295.386 1.420 20 30 CDEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)C(C)(C)C)CC1 ZINC001071017279 711613888 /nfs/dbraw/zinc/61/38/88/711613888.db2.gz PADLDKGKLHIMHK-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)C(C)(C)C)CC1 ZINC001071017279 711613889 /nfs/dbraw/zinc/61/38/89/711613889.db2.gz PADLDKGKLHIMHK-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccn(C)n2)C1 ZINC001034526908 711624118 /nfs/dbraw/zinc/62/41/18/711624118.db2.gz BPVSSZSHPLLIOJ-LBPRGKRZSA-N 1 2 296.802 1.757 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccn(C)n2)C1 ZINC001034526908 711624120 /nfs/dbraw/zinc/62/41/20/711624120.db2.gz BPVSSZSHPLLIOJ-LBPRGKRZSA-N 1 2 296.802 1.757 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccnnc2)C1 ZINC001046650184 711645951 /nfs/dbraw/zinc/64/59/51/711645951.db2.gz DLLIRVDHCTZMNQ-CYBMUJFWSA-N 1 2 280.759 1.423 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccnnc2)C1 ZINC001046650184 711645955 /nfs/dbraw/zinc/64/59/55/711645955.db2.gz DLLIRVDHCTZMNQ-CYBMUJFWSA-N 1 2 280.759 1.423 20 30 CDEDLO C#C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)[C@H]1CCCO1 ZINC000844484851 711687365 /nfs/dbraw/zinc/68/73/65/711687365.db2.gz JCPVUUPFMDSDFA-RWMBFGLXSA-N 1 2 261.325 1.131 20 30 CDEDLO C[C@H]1C(=NNS(C)(=O)=O)CCC[N@H+]1Cc1ccccc1 ZINC000814873104 711711538 /nfs/dbraw/zinc/71/15/38/711711538.db2.gz NHZYQVLVIHPREY-LBPRGKRZSA-N 1 2 295.408 1.576 20 30 CDEDLO C[C@H]1C(=NNS(C)(=O)=O)CCC[N@@H+]1Cc1ccccc1 ZINC000814873104 711711539 /nfs/dbraw/zinc/71/15/39/711711539.db2.gz NHZYQVLVIHPREY-LBPRGKRZSA-N 1 2 295.408 1.576 20 30 CDEDLO Cc1nocc1C[N@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC000980848380 711723618 /nfs/dbraw/zinc/72/36/18/711723618.db2.gz VNEZPPICHRTISC-LLVKDONJSA-N 1 2 276.340 1.177 20 30 CDEDLO Cc1nocc1C[N@@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC000980848380 711723620 /nfs/dbraw/zinc/72/36/20/711723620.db2.gz VNEZPPICHRTISC-LLVKDONJSA-N 1 2 276.340 1.177 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CC(C)(C)C)C[C@H]21 ZINC001074166117 711725000 /nfs/dbraw/zinc/72/50/00/711725000.db2.gz BGKRLQXPFLULRN-CABCVRRESA-N 1 2 292.423 1.748 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC(C)(C)C)C[C@H]21 ZINC001074166117 711725001 /nfs/dbraw/zinc/72/50/01/711725001.db2.gz BGKRLQXPFLULRN-CABCVRRESA-N 1 2 292.423 1.748 20 30 CDEDLO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+]2C[C@H](F)CC)c1 ZINC001038679347 711728648 /nfs/dbraw/zinc/72/86/48/711728648.db2.gz BIBPOBFKLZKOOJ-CABCVRRESA-N 1 2 289.354 1.615 20 30 CDEDLO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@@H+]2C[C@H](F)CC)c1 ZINC001038679347 711728649 /nfs/dbraw/zinc/72/86/49/711728649.db2.gz BIBPOBFKLZKOOJ-CABCVRRESA-N 1 2 289.354 1.615 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2n1[C@H](C)CCC2 ZINC001038280363 711735329 /nfs/dbraw/zinc/73/53/29/711735329.db2.gz LPBRKRDAXMASIH-CHWSQXEVSA-N 1 2 286.379 1.218 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2n1[C@H](C)CCC2 ZINC001038280363 711735332 /nfs/dbraw/zinc/73/53/32/711735332.db2.gz LPBRKRDAXMASIH-CHWSQXEVSA-N 1 2 286.379 1.218 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](CCCF)C2)cc1 ZINC001030776420 711737473 /nfs/dbraw/zinc/73/74/73/711737473.db2.gz HIRHXTLVGRPNCD-UHFFFAOYSA-N 1 2 260.312 1.442 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001032590244 711742123 /nfs/dbraw/zinc/74/21/23/711742123.db2.gz VBXVUDCKVGKCQA-ZOBUZTSGSA-N 1 2 298.361 1.774 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001032590244 711742125 /nfs/dbraw/zinc/74/21/25/711742125.db2.gz VBXVUDCKVGKCQA-ZOBUZTSGSA-N 1 2 298.361 1.774 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc(OC)cc2C)C1 ZINC001030371313 711745522 /nfs/dbraw/zinc/74/55/22/711745522.db2.gz KUECLJOYBFUUAS-UHFFFAOYSA-N 1 2 286.375 1.370 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CC(F)(F)C1 ZINC001018167866 711746550 /nfs/dbraw/zinc/74/65/50/711746550.db2.gz MKALRQGNOCPHOX-TXEJJXNPSA-N 1 2 282.334 1.730 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CC(F)(F)C1 ZINC001018167866 711746552 /nfs/dbraw/zinc/74/65/52/711746552.db2.gz MKALRQGNOCPHOX-TXEJJXNPSA-N 1 2 282.334 1.730 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001038273560 711753342 /nfs/dbraw/zinc/75/33/42/711753342.db2.gz REFBDJSRVLUMSM-CBBWQLFWSA-N 1 2 258.365 1.412 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001038273560 711753345 /nfs/dbraw/zinc/75/33/45/711753345.db2.gz REFBDJSRVLUMSM-CBBWQLFWSA-N 1 2 258.365 1.412 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)nn(CC)c1C ZINC001038813502 711753936 /nfs/dbraw/zinc/75/39/36/711753936.db2.gz BWMBWSLOPLVDJT-AWEZNQCLSA-N 1 2 288.395 1.347 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)nn(CC)c1C ZINC001038813502 711753940 /nfs/dbraw/zinc/75/39/40/711753940.db2.gz BWMBWSLOPLVDJT-AWEZNQCLSA-N 1 2 288.395 1.347 20 30 CDEDLO COc1cc(C#N)ccc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000933297923 711754184 /nfs/dbraw/zinc/75/41/84/711754184.db2.gz CEGQPNFYTCMLHG-GFCCVEGCSA-N 1 2 298.346 1.829 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](CC)CCC ZINC000884110609 711754626 /nfs/dbraw/zinc/75/46/26/711754626.db2.gz OIWUEFDBPNCEGP-MNOVXSKESA-N 1 2 256.346 1.128 20 30 CDEDLO Cc1nc(N2CC[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)cc[nH+]1 ZINC001049248636 711766777 /nfs/dbraw/zinc/76/67/77/711766777.db2.gz GMXBYCDJFJRHJQ-BNOWGMLFSA-N 1 2 299.378 1.229 20 30 CDEDLO C=CCC[NH+]1CC(N(C)C(=O)c2nc3c(s2)CCC3)C1 ZINC001043349464 711769727 /nfs/dbraw/zinc/76/97/27/711769727.db2.gz MAHIIECXKGQLGQ-UHFFFAOYSA-N 1 2 291.420 1.964 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ocnc2C2CC2)C1 ZINC001043869679 711774055 /nfs/dbraw/zinc/77/40/55/711774055.db2.gz MRUZLGIZHHVICX-UHFFFAOYSA-N 1 2 273.336 1.332 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)c(O)c2)C1 ZINC000923564841 711777729 /nfs/dbraw/zinc/77/77/29/711777729.db2.gz WCYHXXUACMHVHP-CQSZACIVSA-N 1 2 283.331 1.091 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)c(O)c2)C1 ZINC000923564841 711777730 /nfs/dbraw/zinc/77/77/30/711777730.db2.gz WCYHXXUACMHVHP-CQSZACIVSA-N 1 2 283.331 1.091 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c3c(nn2C)CCC3)C1 ZINC001044177046 711780537 /nfs/dbraw/zinc/78/05/37/711780537.db2.gz FCCSKRWDFXDMAS-UHFFFAOYSA-N 1 2 288.395 1.241 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cccc3c2OCC3)nn1 ZINC000922198066 711797100 /nfs/dbraw/zinc/79/71/00/711797100.db2.gz MGYPRGNRFKQUDY-UHFFFAOYSA-N 1 2 270.336 1.689 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cc1ccco1 ZINC001032677217 711801022 /nfs/dbraw/zinc/80/10/22/711801022.db2.gz WZJZFGWWMYMNKI-ILXRZTDVSA-N 1 2 286.375 1.767 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cc1ccco1 ZINC001032677217 711801023 /nfs/dbraw/zinc/80/10/23/711801023.db2.gz WZJZFGWWMYMNKI-ILXRZTDVSA-N 1 2 286.375 1.767 20 30 CDEDLO C#CCN1CC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001038245320 711801225 /nfs/dbraw/zinc/80/12/25/711801225.db2.gz IIURZTZQQAWFTM-AWEZNQCLSA-N 1 2 282.347 1.080 20 30 CDEDLO C#CC[N@H+](CC(=O)N(C)c1nccs1)C(C)C ZINC000932390915 711802459 /nfs/dbraw/zinc/80/24/59/711802459.db2.gz RZHPAIBRPDDCNP-UHFFFAOYSA-N 1 2 251.355 1.450 20 30 CDEDLO C#CC[N@@H+](CC(=O)N(C)c1nccs1)C(C)C ZINC000932390915 711802460 /nfs/dbraw/zinc/80/24/60/711802460.db2.gz RZHPAIBRPDDCNP-UHFFFAOYSA-N 1 2 251.355 1.450 20 30 CDEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N2CCCC2)cc1 ZINC000060455445 711807545 /nfs/dbraw/zinc/80/75/45/711807545.db2.gz GSTXBPNJFANKDM-UHFFFAOYSA-N 1 2 291.351 1.149 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001031425708 711809373 /nfs/dbraw/zinc/80/93/73/711809373.db2.gz IOUGVDDNTYSZDS-AWEZNQCLSA-N 1 2 270.376 1.922 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3n2CCCCC3)C1 ZINC001030515468 711813591 /nfs/dbraw/zinc/81/35/91/711813591.db2.gz YPUXHFLLCDXTJJ-UHFFFAOYSA-N 1 2 286.379 1.047 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2c(CC)noc2CC)C1 ZINC001042948691 711816037 /nfs/dbraw/zinc/81/60/37/711816037.db2.gz VUVITRKPFFERPW-UHFFFAOYSA-N 1 2 291.395 1.671 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)c3cn[nH]n3)CCC[C@@H]12 ZINC000991573101 711819135 /nfs/dbraw/zinc/81/91/35/711819135.db2.gz WXKQZNAFQLZMLP-DGCLKSJQSA-N 1 2 295.774 1.284 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)c3cn[nH]n3)CCC[C@@H]12 ZINC000991573101 711819136 /nfs/dbraw/zinc/81/91/36/711819136.db2.gz WXKQZNAFQLZMLP-DGCLKSJQSA-N 1 2 295.774 1.284 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CCC1 ZINC001017652220 711820814 /nfs/dbraw/zinc/82/08/14/711820814.db2.gz ZDIWJVQHSBIWQH-YUELXQCFSA-N 1 2 260.381 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CCC1 ZINC001017652220 711820815 /nfs/dbraw/zinc/82/08/15/711820815.db2.gz ZDIWJVQHSBIWQH-YUELXQCFSA-N 1 2 260.381 1.731 20 30 CDEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000852636586 711822230 /nfs/dbraw/zinc/82/22/30/711822230.db2.gz XZDPUSFQMWFQGX-STQMWFEESA-N 1 2 294.358 1.762 20 30 CDEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000852636586 711822231 /nfs/dbraw/zinc/82/22/31/711822231.db2.gz XZDPUSFQMWFQGX-STQMWFEESA-N 1 2 294.358 1.762 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2scnc2C)CC[C@H]1C ZINC001071349929 711822393 /nfs/dbraw/zinc/82/23/93/711822393.db2.gz NJDMCTJJDHJTPA-ZYHUDNBSSA-N 1 2 277.393 1.667 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2scnc2C)CC[C@H]1C ZINC001071349929 711822394 /nfs/dbraw/zinc/82/23/94/711822394.db2.gz NJDMCTJJDHJTPA-ZYHUDNBSSA-N 1 2 277.393 1.667 20 30 CDEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865919697 711827937 /nfs/dbraw/zinc/82/79/37/711827937.db2.gz HYAYLNDHHUEYKX-GCILFIKNSA-N 1 2 291.395 1.463 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000827435880 711837398 /nfs/dbraw/zinc/83/73/98/711837398.db2.gz ZYYYMJKKTQFOJL-UHFFFAOYSA-N 1 2 293.455 1.827 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@@H]1OC ZINC001018336212 711838195 /nfs/dbraw/zinc/83/81/95/711838195.db2.gz YLYXINGLCQVLEV-QXSJWSMHSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@@H]1OC ZINC001018336212 711838197 /nfs/dbraw/zinc/83/81/97/711838197.db2.gz YLYXINGLCQVLEV-QXSJWSMHSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C=C3CCC3)C[C@H]21 ZINC001074209335 711839143 /nfs/dbraw/zinc/83/91/43/711839143.db2.gz WNVNLRUFPMOIDL-CVEARBPZSA-N 1 2 288.391 1.422 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C=C3CCC3)C[C@H]21 ZINC001074209335 711839144 /nfs/dbraw/zinc/83/91/44/711839144.db2.gz WNVNLRUFPMOIDL-CVEARBPZSA-N 1 2 288.391 1.422 20 30 CDEDLO C=CC[NH+]1CCN(c2nc(OC)nc(C)c2[N+](=O)[O-])CC1 ZINC001165031873 721867053 /nfs/dbraw/zinc/86/70/53/721867053.db2.gz YHSKBGHLQAVGCJ-UHFFFAOYSA-N 1 2 293.327 1.010 20 30 CDEDLO C=CC[NH+]1CCN(c2ncc(Cl)cc2C#N)CC1 ZINC001165031955 721869254 /nfs/dbraw/zinc/86/92/54/721869254.db2.gz FFALYLALMNPGCF-UHFFFAOYSA-N 1 2 262.744 1.915 20 30 CDEDLO C=CC[NH+]1CCN(c2ncc(C#N)cc2C(=O)OC)CC1 ZINC001165035436 721872663 /nfs/dbraw/zinc/87/26/63/721872663.db2.gz UYCHQVDHVJMDGS-UHFFFAOYSA-N 1 2 286.335 1.048 20 30 CDEDLO C[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2O)[C@H]1CO ZINC001232674044 912384000 /nfs/dbraw/zinc/38/40/00/912384000.db2.gz QOFMMFGAEQHMQM-RISCZKNCSA-N 1 2 260.337 1.857 20 30 CDEDLO C[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2O)[C@H]1CO ZINC001232674044 912384017 /nfs/dbraw/zinc/38/40/17/912384017.db2.gz QOFMMFGAEQHMQM-RISCZKNCSA-N 1 2 260.337 1.857 20 30 CDEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1scnc1C)C2 ZINC001095202614 912603826 /nfs/dbraw/zinc/60/38/26/912603826.db2.gz LPIJTUMIVQBFKF-AGIUHOORSA-N 1 2 289.404 1.810 20 30 CDEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1scnc1C)C2 ZINC001095202614 912603832 /nfs/dbraw/zinc/60/38/32/912603832.db2.gz LPIJTUMIVQBFKF-AGIUHOORSA-N 1 2 289.404 1.810 20 30 CDEDLO CC(C)[NH+]1CC(OCC(=O)c2cccc(C#N)c2)C1 ZINC001210368166 895229781 /nfs/dbraw/zinc/22/97/81/895229781.db2.gz AEKSDCBWWXUAPK-UHFFFAOYSA-N 1 2 258.321 1.850 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccc(OC)nc1 ZINC001480887489 895756896 /nfs/dbraw/zinc/75/68/96/895756896.db2.gz LZGYSBSAHJCZLP-UHFFFAOYSA-N 1 2 283.759 1.504 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccc(OC)nc1 ZINC001480887489 895756912 /nfs/dbraw/zinc/75/69/12/895756912.db2.gz LZGYSBSAHJCZLP-UHFFFAOYSA-N 1 2 283.759 1.504 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCCCNCC#N ZINC001176351040 914079996 /nfs/dbraw/zinc/07/99/96/914079996.db2.gz OZCBBXMXOAAVBU-NSHDSACASA-N 1 2 277.372 1.049 20 30 CDEDLO CC1(C)CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)N(CC#N)C1 ZINC001099244496 914142348 /nfs/dbraw/zinc/14/23/48/914142348.db2.gz AJPRJAGVHIZRNW-CYBMUJFWSA-N 1 2 289.383 1.083 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)[C@H](C)c1nncn1C ZINC001235451033 914221922 /nfs/dbraw/zinc/22/19/22/914221922.db2.gz AKLAOEOIUMEKRY-GFCCVEGCSA-N 1 2 279.388 1.280 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)[C@H](C)c1nncn1C ZINC001235451033 914221939 /nfs/dbraw/zinc/22/19/39/914221939.db2.gz AKLAOEOIUMEKRY-GFCCVEGCSA-N 1 2 279.388 1.280 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N[C@H](C)C2CC2)C1 ZINC001267738673 899480767 /nfs/dbraw/zinc/48/07/67/899480767.db2.gz OORGVTFIXGFSPV-TZMCWYRMSA-N 1 2 293.411 1.058 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](CC(=O)N[C@H](C)C2CC2)C1 ZINC001267738673 899480771 /nfs/dbraw/zinc/48/07/71/899480771.db2.gz OORGVTFIXGFSPV-TZMCWYRMSA-N 1 2 293.411 1.058 20 30 CDEDLO CN(CC(=O)N1CCC[C@@H](C#N)C1)c1cccc[nH+]1 ZINC001177410214 914666667 /nfs/dbraw/zinc/66/66/67/914666667.db2.gz HIOLYRVNOWFZCO-LBPRGKRZSA-N 1 2 258.325 1.280 20 30 CDEDLO CC1(C)C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN(CC#N)C1 ZINC001089506569 914769578 /nfs/dbraw/zinc/76/95/78/914769578.db2.gz MCAXJMLHWYJEPY-LBPRGKRZSA-N 1 2 289.383 1.083 20 30 CDEDLO Cc1ncsc1C[NH+]1CC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001270507270 904687783 /nfs/dbraw/zinc/68/77/83/904687783.db2.gz IJZNHTBHKGYXFS-JTQLQIEISA-N 1 2 290.392 1.255 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc[nH]c1)c1nccn12 ZINC001092370406 909386423 /nfs/dbraw/zinc/38/64/23/909386423.db2.gz OGXQMOHUCBLLNF-ZDUSSCGKSA-N 1 2 297.362 1.283 20 30 CDEDLO CCc1noc([C@@H](C)[NH2+]CCNC(=O)C#CC(C)(C)C)n1 ZINC001126907582 909688763 /nfs/dbraw/zinc/68/87/63/909688763.db2.gz RCXBEYGBWUMZQG-LLVKDONJSA-N 1 2 292.383 1.448 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3occc3c2)C1 ZINC001077038567 910160680 /nfs/dbraw/zinc/16/06/80/910160680.db2.gz DNOIRIVNOXLORF-HUUCEWRRSA-N 1 2 298.342 1.231 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3occc3c2)C1 ZINC001077038567 910160695 /nfs/dbraw/zinc/16/06/95/910160695.db2.gz DNOIRIVNOXLORF-HUUCEWRRSA-N 1 2 298.342 1.231 20 30 CDEDLO C#Cc1ccc(C(=O)NCCNc2cc[nH+]c(C)n2)cc1 ZINC001094029711 910270110 /nfs/dbraw/zinc/27/01/10/910270110.db2.gz XAUKOTUKUVNEAN-UHFFFAOYSA-N 1 2 280.331 1.608 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnsn1 ZINC001483313316 910851487 /nfs/dbraw/zinc/85/14/87/910851487.db2.gz MIDAPJAOUFSBLH-MRVPVSSYSA-N 1 2 274.777 1.341 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cnsn1 ZINC001483313316 910851498 /nfs/dbraw/zinc/85/14/98/910851498.db2.gz MIDAPJAOUFSBLH-MRVPVSSYSA-N 1 2 274.777 1.341 20 30 CDEDLO COC(=O)[C@@H]1CCC[C@H]([N@@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001172626932 911843692 /nfs/dbraw/zinc/84/36/92/911843692.db2.gz QAPCLMSSUUCEJB-KGYLQXTDSA-N 1 2 295.404 1.992 20 30 CDEDLO COC(=O)[C@@H]1CCC[C@H]([N@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001172626932 911843695 /nfs/dbraw/zinc/84/36/95/911843695.db2.gz QAPCLMSSUUCEJB-KGYLQXTDSA-N 1 2 295.404 1.992 20 30 CDEDLO COC(=O)[C@@H]1CCC[C@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001172626932 911843705 /nfs/dbraw/zinc/84/37/05/911843705.db2.gz QAPCLMSSUUCEJB-KGYLQXTDSA-N 1 2 295.404 1.992 20 30 CDEDLO COC(=O)[C@@H]1CCC[C@H]([N@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001172626932 911843713 /nfs/dbraw/zinc/84/37/13/911843713.db2.gz QAPCLMSSUUCEJB-KGYLQXTDSA-N 1 2 295.404 1.992 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC001172915605 912053690 /nfs/dbraw/zinc/05/36/90/912053690.db2.gz FJYRUWKECPBZMN-MXWKQRLJSA-N 1 2 261.387 1.395 20 30 CDEDLO N#C[C@@H](Cc1cccs1)C(=O)NCCn1cc[nH+]c1 ZINC001177903204 915010152 /nfs/dbraw/zinc/01/01/52/915010152.db2.gz AAXXWBBHPWVHMT-LLVKDONJSA-N 1 2 274.349 1.443 20 30 CDEDLO CC(C)C#CC(=O)N1CC[C@H]([N@H+](C)Cc2ccon2)C1 ZINC001190046172 921809759 /nfs/dbraw/zinc/80/97/59/921809759.db2.gz GPKPDJZMTZFITJ-AWEZNQCLSA-N 1 2 275.352 1.367 20 30 CDEDLO CC(C)C#CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccon2)C1 ZINC001190046172 921809768 /nfs/dbraw/zinc/80/97/68/921809768.db2.gz GPKPDJZMTZFITJ-AWEZNQCLSA-N 1 2 275.352 1.367 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2C(C)(C)C2(C)C)CC1 ZINC001179694212 915929202 /nfs/dbraw/zinc/92/92/02/915929202.db2.gz XNDHPNOTUXKZNA-UHFFFAOYSA-N 1 2 250.386 1.999 20 30 CDEDLO CC(C)Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H](C)C#N)o1 ZINC001124903129 936342799 /nfs/dbraw/zinc/34/27/99/936342799.db2.gz OLXTWCKNLBITHA-QWRGUYRKSA-N 1 2 293.371 1.195 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)CSC)C1 ZINC001149103402 936347594 /nfs/dbraw/zinc/34/75/94/936347594.db2.gz DYLVYLPPDYVMAS-NSHDSACASA-N 1 2 292.832 1.309 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)CSC)C1 ZINC001149103402 936347597 /nfs/dbraw/zinc/34/75/97/936347597.db2.gz DYLVYLPPDYVMAS-NSHDSACASA-N 1 2 292.832 1.309 20 30 CDEDLO CC(C)C[C@@](C)(C#N)NC(=O)Cc1cc[nH+]c(N)c1 ZINC001181277237 916957164 /nfs/dbraw/zinc/95/71/64/916957164.db2.gz SQRBTSSOBXGNLZ-AWEZNQCLSA-N 1 2 260.341 1.651 20 30 CDEDLO COc1ccc(C[N@H+]2CCc3nncn3CC2)c(C#N)c1 ZINC001137699271 936390904 /nfs/dbraw/zinc/39/09/04/936390904.db2.gz BLTKCVFGCHXQDQ-UHFFFAOYSA-N 1 2 283.335 1.217 20 30 CDEDLO COc1ccc(C[N@@H+]2CCc3nncn3CC2)c(C#N)c1 ZINC001137699271 936390907 /nfs/dbraw/zinc/39/09/07/936390907.db2.gz BLTKCVFGCHXQDQ-UHFFFAOYSA-N 1 2 283.335 1.217 20 30 CDEDLO COc1ccc(C[NH+]2CC(C(=O)N(C)C)C2)c(C#N)c1 ZINC001137703629 936393211 /nfs/dbraw/zinc/39/32/11/936393211.db2.gz ROGGMJUXKAXJRW-UHFFFAOYSA-N 1 2 273.336 1.087 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cocn1)O2 ZINC001053584077 936415039 /nfs/dbraw/zinc/41/50/39/936415039.db2.gz MBIYTJGVKXGYTI-GFCCVEGCSA-N 1 2 291.351 1.214 20 30 CDEDLO C=CCCC[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127737639 918275302 /nfs/dbraw/zinc/27/53/02/918275302.db2.gz RYLIFCMLHHCIQM-MRVPVSSYSA-N 1 2 256.243 1.559 20 30 CDEDLO C=CCCC[NH2+]CCNC(=O)[C@@H](F)C(F)(F)F ZINC001127737639 918275316 /nfs/dbraw/zinc/27/53/16/918275316.db2.gz RYLIFCMLHHCIQM-MRVPVSSYSA-N 1 2 256.243 1.559 20 30 CDEDLO Cc1c[nH]c(CCNC(=O)C2(c3ccccc3C#N)CC2)[nH+]1 ZINC001183292645 918426094 /nfs/dbraw/zinc/42/60/94/918426094.db2.gz CWTVJCJGOSWSKH-UHFFFAOYSA-N 1 2 294.358 1.980 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CC2(C)CCOCC2)CC1 ZINC001183832408 918705835 /nfs/dbraw/zinc/70/58/35/918705835.db2.gz FZSOSRCWAFWMKF-UHFFFAOYSA-N 1 2 266.385 1.523 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cccc(C)n2)C1 ZINC001107748230 918727567 /nfs/dbraw/zinc/72/75/67/918727567.db2.gz NBTRNVFEZDYJNM-MRXNPFEDSA-N 1 2 289.379 1.397 20 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LWRLCHSHCXZHOA-UHFFFAOYSA-N 1 2 286.375 1.213 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)/C=C(\C)CC)C1 ZINC001107924995 919054860 /nfs/dbraw/zinc/05/48/60/919054860.db2.gz ONPASONQCZJEHN-WSYSLRRZSA-N 1 2 278.396 1.573 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)/C=C(\C)CC)C1 ZINC001107924995 919054877 /nfs/dbraw/zinc/05/48/77/919054877.db2.gz ONPASONQCZJEHN-WSYSLRRZSA-N 1 2 278.396 1.573 20 30 CDEDLO C=CCN1CCC2(CC[NH+](Cc3cn[nH]c3C)CC2)C1=O ZINC001272754236 919076284 /nfs/dbraw/zinc/07/62/84/919076284.db2.gz FIRFITWKXSWKST-UHFFFAOYSA-N 1 2 288.395 1.719 20 30 CDEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccco3)C2)CC1 ZINC001051973125 936575852 /nfs/dbraw/zinc/57/58/52/936575852.db2.gz UGAHZDJSKFIDBW-CQSZACIVSA-N 1 2 289.379 1.298 20 30 CDEDLO O=C1C=C2C[N@@H+](Cc3ccc4nonc4c3)CC[C@@H]2S1 ZINC001139220124 936608234 /nfs/dbraw/zinc/60/82/34/936608234.db2.gz DRQMNDKJQHERMC-ZDUSSCGKSA-N 1 2 287.344 1.997 20 30 CDEDLO O=C1C=C2C[N@H+](Cc3ccc4nonc4c3)CC[C@@H]2S1 ZINC001139220124 936608235 /nfs/dbraw/zinc/60/82/35/936608235.db2.gz DRQMNDKJQHERMC-ZDUSSCGKSA-N 1 2 287.344 1.997 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(CO)cc2)CC1 ZINC001186101973 919885942 /nfs/dbraw/zinc/88/59/42/919885942.db2.gz FZUZLSGJZSHNAL-UHFFFAOYSA-N 1 2 260.337 1.123 20 30 CDEDLO COC[C@@H]1COCC[N@@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139706808 936638412 /nfs/dbraw/zinc/63/84/12/936638412.db2.gz IPIRPKIFTDQSPG-CQSZACIVSA-N 1 2 285.347 1.887 20 30 CDEDLO COC[C@@H]1COCC[N@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139706808 936638413 /nfs/dbraw/zinc/63/84/13/936638413.db2.gz IPIRPKIFTDQSPG-CQSZACIVSA-N 1 2 285.347 1.887 20 30 CDEDLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140116191 936679948 /nfs/dbraw/zinc/67/99/48/936679948.db2.gz VARSQBRLQPUAQY-NSHDSACASA-N 1 2 282.347 1.702 20 30 CDEDLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140116191 936679950 /nfs/dbraw/zinc/67/99/50/936679950.db2.gz VARSQBRLQPUAQY-NSHDSACASA-N 1 2 282.347 1.702 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3ccncn3)CC2)cc1 ZINC001140347771 936704913 /nfs/dbraw/zinc/70/49/13/936704913.db2.gz USCVGPOIKBVWKM-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190271527 921947661 /nfs/dbraw/zinc/94/76/61/921947661.db2.gz ZPOCNRWNFCRNRX-ZJUUUORDSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190271527 921947669 /nfs/dbraw/zinc/94/76/69/921947669.db2.gz ZPOCNRWNFCRNRX-ZJUUUORDSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001190271527 921947682 /nfs/dbraw/zinc/94/76/82/921947682.db2.gz ZPOCNRWNFCRNRX-ZJUUUORDSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001190271527 921947693 /nfs/dbraw/zinc/94/76/93/921947693.db2.gz ZPOCNRWNFCRNRX-ZJUUUORDSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)C(F)(F)F)C1 ZINC001108133131 922699200 /nfs/dbraw/zinc/69/92/00/922699200.db2.gz VDSFNYCANTYZIX-PWSUYJOCSA-N 1 2 294.317 1.578 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)C(F)(F)F)C1 ZINC001108133131 922699206 /nfs/dbraw/zinc/69/92/06/922699206.db2.gz VDSFNYCANTYZIX-PWSUYJOCSA-N 1 2 294.317 1.578 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001099046432 936776679 /nfs/dbraw/zinc/77/66/79/936776679.db2.gz NRRWDVZQFITGKG-ABAIWWIYSA-N 1 2 292.383 1.419 20 30 CDEDLO C#CCC1(C(=O)NCC[NH2+][C@@H](C)c2nc(C)no2)CCC1 ZINC001129141977 922949799 /nfs/dbraw/zinc/94/97/99/922949799.db2.gz AMGCKQATJSYSQN-NSHDSACASA-N 1 2 290.367 1.338 20 30 CDEDLO C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+](CC=C)CCO1 ZINC001035399985 922981191 /nfs/dbraw/zinc/98/11/91/922981191.db2.gz WSXNZBWZCZGZTC-CQSZACIVSA-N 1 2 289.379 1.291 20 30 CDEDLO C=CCn1cccc1C(=O)NC[C@@H]1C[N@@H+](CC=C)CCO1 ZINC001035399985 922981202 /nfs/dbraw/zinc/98/12/02/922981202.db2.gz WSXNZBWZCZGZTC-CQSZACIVSA-N 1 2 289.379 1.291 20 30 CDEDLO N#CCS(=O)(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC001192929478 923348593 /nfs/dbraw/zinc/34/85/93/923348593.db2.gz 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924334754 /nfs/dbraw/zinc/33/47/54/924334754.db2.gz GEAVDOPIERNUGA-ZWNOBZJWSA-N 1 2 296.802 1.706 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@H](C)OC)CC1 ZINC001195211030 924504006 /nfs/dbraw/zinc/50/40/06/924504006.db2.gz SEWMJOQBJYJZAZ-LBPRGKRZSA-N 1 2 274.792 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@H](C)OC)CC1 ZINC001195211030 924504010 /nfs/dbraw/zinc/50/40/10/924504010.db2.gz SEWMJOQBJYJZAZ-LBPRGKRZSA-N 1 2 274.792 1.698 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(CC)o2)[C@H](OC)C1 ZINC001081862531 924806295 /nfs/dbraw/zinc/80/62/95/924806295.db2.gz FQMQLGUINGBWMU-UKRRQHHQSA-N 1 2 290.363 1.294 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC)o2)[C@H](OC)C1 ZINC001081862531 924806300 /nfs/dbraw/zinc/80/63/00/924806300.db2.gz FQMQLGUINGBWMU-UKRRQHHQSA-N 1 2 290.363 1.294 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(C#N)c(SC)n2)CC1 ZINC001141941705 936956478 /nfs/dbraw/zinc/95/64/78/936956478.db2.gz UOTDOUCGPDOSPY-UHFFFAOYSA-N 1 2 286.404 1.426 20 30 CDEDLO C=CCCC1(C(=O)N2CCC[N@@H+]([C@H](C)C(N)=O)CC2)CC1 ZINC001197062283 925044719 /nfs/dbraw/zinc/04/47/19/925044719.db2.gz ONKYVFMIBPJTOP-CYBMUJFWSA-N 1 2 293.411 1.141 20 30 CDEDLO C=CCCC1(C(=O)N2CCC[N@H+]([C@H](C)C(N)=O)CC2)CC1 ZINC001197062283 925044725 /nfs/dbraw/zinc/04/47/25/925044725.db2.gz ONKYVFMIBPJTOP-CYBMUJFWSA-N 1 2 293.411 1.141 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3(F)CCCC3)[C@H]2C1 ZINC001083127101 925101000 /nfs/dbraw/zinc/10/10/00/925101000.db2.gz YYPJUVSBLFLQBL-UONOGXRCSA-N 1 2 294.370 1.204 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)C3(F)CCCC3)[C@H]2C1 ZINC001083127101 925101006 /nfs/dbraw/zinc/10/10/06/925101006.db2.gz YYPJUVSBLFLQBL-UONOGXRCSA-N 1 2 294.370 1.204 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccccc3CC)[C@H]2C1 ZINC001083178119 925114666 /nfs/dbraw/zinc/11/46/66/925114666.db2.gz CHHFWGZMXJQVLK-DLBZAZTESA-N 1 2 298.386 1.407 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccccc3CC)[C@H]2C1 ZINC001083178119 925114671 /nfs/dbraw/zinc/11/46/71/925114671.db2.gz CHHFWGZMXJQVLK-DLBZAZTESA-N 1 2 298.386 1.407 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3=COCCO3)[C@@H]2C1 ZINC001084169260 925167405 /nfs/dbraw/zinc/16/74/05/925167405.db2.gz BLZADPLYUGCRNU-VXGBXAGGSA-N 1 2 298.770 1.160 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3=COCCO3)[C@@H]2C1 ZINC001084169260 925167409 /nfs/dbraw/zinc/16/74/09/925167409.db2.gz BLZADPLYUGCRNU-VXGBXAGGSA-N 1 2 298.770 1.160 20 30 CDEDLO N#CCN1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001084452833 925256394 /nfs/dbraw/zinc/25/63/94/925256394.db2.gz ZDRUWMNUHULVTH-IAQYHMDHSA-N 1 2 295.346 1.233 20 30 CDEDLO C=C(C)CN1CC2(C[NH+](CCCCF)C2)OCC1=O ZINC001273755958 925269731 /nfs/dbraw/zinc/26/97/31/925269731.db2.gz XSGUPRSDUCYHOU-UHFFFAOYSA-N 1 2 270.348 1.225 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)/C(C)=C/C)c1nccn12 ZINC001101622079 936994305 /nfs/dbraw/zinc/99/43/05/936994305.db2.gz KNKVAJYLEKIGEY-YQJFHSMKSA-N 1 2 286.379 1.607 20 30 CDEDLO 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NTOWAKOCIOEJBQ-CQSZACIVSA-N 1 2 282.347 1.114 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2cccn2cn1 ZINC001085668949 926259810 /nfs/dbraw/zinc/25/98/10/926259810.db2.gz NTOWAKOCIOEJBQ-CQSZACIVSA-N 1 2 282.347 1.114 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncc(F)cc1F ZINC001085673579 926276225 /nfs/dbraw/zinc/27/62/25/926276225.db2.gz AAUHNEGFTYOQBT-LBPRGKRZSA-N 1 2 293.317 1.529 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ncc(F)cc1F ZINC001085673579 926276234 /nfs/dbraw/zinc/27/62/34/926276234.db2.gz AAUHNEGFTYOQBT-LBPRGKRZSA-N 1 2 293.317 1.529 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(OC)cc1F ZINC001085703356 926304004 /nfs/dbraw/zinc/30/40/04/926304004.db2.gz OIDDEJDZPMMSSH-GFCCVEGCSA-N 1 2 290.338 1.614 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(OC)cc1F ZINC001085703356 926304014 /nfs/dbraw/zinc/30/40/14/926304014.db2.gz OIDDEJDZPMMSSH-GFCCVEGCSA-N 1 2 290.338 1.614 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(F)ccc1OC ZINC001085751777 926361319 /nfs/dbraw/zinc/36/13/19/926361319.db2.gz OHZQAVPTEPVRSI-ZDUSSCGKSA-N 1 2 290.338 1.614 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(F)ccc1OC ZINC001085751777 926361325 /nfs/dbraw/zinc/36/13/25/926361325.db2.gz OHZQAVPTEPVRSI-ZDUSSCGKSA-N 1 2 290.338 1.614 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]c(C)cc1=O ZINC001085906431 926492789 /nfs/dbraw/zinc/49/27/89/926492789.db2.gz IPTURUHCNVIEGO-GFCCVEGCSA-N 1 2 275.352 1.016 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]c(C)cc1=O ZINC001085906431 926492790 /nfs/dbraw/zinc/49/27/90/926492790.db2.gz IPTURUHCNVIEGO-GFCCVEGCSA-N 1 2 275.352 1.016 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C)cc1OC ZINC001085935128 926521501 /nfs/dbraw/zinc/52/15/01/926521501.db2.gz WTSHGRCRDDYLLD-AWEZNQCLSA-N 1 2 286.375 1.783 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C)cc1OC ZINC001085935128 926521505 /nfs/dbraw/zinc/52/15/05/926521505.db2.gz WTSHGRCRDDYLLD-AWEZNQCLSA-N 1 2 286.375 1.783 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)cn1 ZINC001085935350 926522892 /nfs/dbraw/zinc/52/28/92/926522892.db2.gz CJLPFMFLSNFHCT-GFCCVEGCSA-N 1 2 277.755 1.515 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)cn1 ZINC001085935350 926522898 /nfs/dbraw/zinc/52/28/98/926522898.db2.gz CJLPFMFLSNFHCT-GFCCVEGCSA-N 1 2 277.755 1.515 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cncnc1C1CC1 ZINC001085952710 926536582 /nfs/dbraw/zinc/53/65/82/926536582.db2.gz JPAPOIVVOXZTON-CYBMUJFWSA-N 1 2 284.363 1.134 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cncnc1C1CC1 ZINC001085952710 926536589 /nfs/dbraw/zinc/53/65/89/926536589.db2.gz JPAPOIVVOXZTON-CYBMUJFWSA-N 1 2 284.363 1.134 20 30 CDEDLO N#Cc1ccc2c(C[N@@H+]3CCn4cnnc4C3)c[nH]c2c1 ZINC001142911806 937091892 /nfs/dbraw/zinc/09/18/92/937091892.db2.gz KIKORZKRMMJFAL-UHFFFAOYSA-N 1 2 278.319 1.647 20 30 CDEDLO N#Cc1ccc2c(C[N@H+]3CCn4cnnc4C3)c[nH]c2c1 ZINC001142911806 937091894 /nfs/dbraw/zinc/09/18/94/937091894.db2.gz KIKORZKRMMJFAL-UHFFFAOYSA-N 1 2 278.319 1.647 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNc2cc(Cl)ncc2C#N)C1 ZINC001155193759 926635326 /nfs/dbraw/zinc/63/53/26/926635326.db2.gz LCOYUAVFDPHENG-JTQLQIEISA-N 1 2 266.732 1.349 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNc2cc(Cl)ncc2C#N)C1 ZINC001155193759 926635330 /nfs/dbraw/zinc/63/53/30/926635330.db2.gz LCOYUAVFDPHENG-JTQLQIEISA-N 1 2 266.732 1.349 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC23CC3)C1 ZINC001108241947 926671536 /nfs/dbraw/zinc/67/15/36/926671536.db2.gz HHUHUEGOSJSBBI-UKRRQHHQSA-N 1 2 276.380 1.017 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC23CC3)C1 ZINC001108241947 926671541 /nfs/dbraw/zinc/67/15/41/926671541.db2.gz HHUHUEGOSJSBBI-UKRRQHHQSA-N 1 2 276.380 1.017 20 30 CDEDLO CC[C@@H](CNC(=O)Cn1cc[nH+]c1)Nc1ccc(C#N)cn1 ZINC001103118107 937123502 /nfs/dbraw/zinc/12/35/02/937123502.db2.gz QPXVCQKXSLCLQT-ZDUSSCGKSA-N 1 2 298.350 1.157 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)/C=C/C2CC2)C1 ZINC001149521448 937187835 /nfs/dbraw/zinc/18/78/35/937187835.db2.gz NHYRKVYYOHEJDN-GJBLVYBDSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)/C=C/C2CC2)C1 ZINC001149521448 937187838 /nfs/dbraw/zinc/18/78/38/937187838.db2.gz NHYRKVYYOHEJDN-GJBLVYBDSA-N 1 2 298.814 1.912 20 30 CDEDLO CCN1C(=O)C(=NN=Cc2c[nH+]c(C)n2C)c2ccccc21 ZINC000853269449 927995543 /nfs/dbraw/zinc/99/55/43/927995543.db2.gz VTSPVCJEMTXXFA-UHFFFAOYSA-N 1 2 295.346 1.918 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCOCC)C2 ZINC001109047011 928774100 /nfs/dbraw/zinc/77/41/00/928774100.db2.gz YMGXBRQXVGACJR-AGIUHOORSA-N 1 2 286.803 1.887 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCOCC)C2 ZINC001109047011 928774111 /nfs/dbraw/zinc/77/41/11/928774111.db2.gz YMGXBRQXVGACJR-AGIUHOORSA-N 1 2 286.803 1.887 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)OCC(C)C)CC1 ZINC001112657363 929294051 /nfs/dbraw/zinc/29/40/51/929294051.db2.gz CYIQULIQUQPICH-CYBMUJFWSA-N 1 2 254.374 1.378 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001134411841 929734199 /nfs/dbraw/zinc/73/41/99/929734199.db2.gz IUAHQHCHTQHKEV-UHFFFAOYSA-N 1 2 280.372 1.440 20 30 CDEDLO C=CCOCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C)o1 ZINC001152370676 937356871 /nfs/dbraw/zinc/35/68/71/937356871.db2.gz MAYCMNAPMVXYCM-GFCCVEGCSA-N 1 2 295.383 1.512 20 30 CDEDLO C=CCOCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C)o1 ZINC001152370676 937356875 /nfs/dbraw/zinc/35/68/75/937356875.db2.gz MAYCMNAPMVXYCM-GFCCVEGCSA-N 1 2 295.383 1.512 20 30 CDEDLO CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136036879 930614851 /nfs/dbraw/zinc/61/48/51/930614851.db2.gz ZMOKDDRQNCZXKV-RYUDHWBXSA-N 1 2 276.384 1.157 20 30 CDEDLO CC[N@H+](Cc1cscn1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153281290 937436614 /nfs/dbraw/zinc/43/66/14/937436614.db2.gz IXHQATSYPZZNOS-GFCCVEGCSA-N 1 2 291.420 1.883 20 30 CDEDLO CC[N@@H+](Cc1cscn1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153281290 937436616 /nfs/dbraw/zinc/43/66/16/937436616.db2.gz IXHQATSYPZZNOS-GFCCVEGCSA-N 1 2 291.420 1.883 20 30 CDEDLO C#CC[N@H+](CC1CC1)CN1C(=O)C[C@@]2(CCSC2)C1=O ZINC001116372354 937444601 /nfs/dbraw/zinc/44/46/01/937444601.db2.gz PNACXQINGLMWHZ-OAHLLOKOSA-N 1 2 292.404 1.171 20 30 CDEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)C[C@@]2(CCSC2)C1=O ZINC001116372354 937444603 /nfs/dbraw/zinc/44/46/03/937444603.db2.gz PNACXQINGLMWHZ-OAHLLOKOSA-N 1 2 292.404 1.171 20 30 CDEDLO C=CC[C@@H]([NH2+]C1CCN(C(=O)CC)CC1)C(=O)OCC ZINC001116790314 937472687 /nfs/dbraw/zinc/47/26/87/937472687.db2.gz SLTLNDMJTNRRQR-CYBMUJFWSA-N 1 2 282.384 1.485 20 30 CDEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC#N ZINC001274031597 931131321 /nfs/dbraw/zinc/13/13/21/931131321.db2.gz VMVRYEYYISHVQK-CHWSQXEVSA-N 1 2 260.341 1.269 20 30 CDEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC#N ZINC001274031597 931131323 /nfs/dbraw/zinc/13/13/23/931131323.db2.gz VMVRYEYYISHVQK-CHWSQXEVSA-N 1 2 260.341 1.269 20 30 CDEDLO N#Cc1cncc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c1 ZINC001144080269 931651262 /nfs/dbraw/zinc/65/12/62/931651262.db2.gz ZCINZBHVQSVZMP-MRXNPFEDSA-N 1 2 298.390 1.930 20 30 CDEDLO N#Cc1cncc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c1 ZINC001144080269 931651263 /nfs/dbraw/zinc/65/12/63/931651263.db2.gz ZCINZBHVQSVZMP-MRXNPFEDSA-N 1 2 298.390 1.930 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(F)c(O)cc2F)CC1 ZINC001144658492 931955041 /nfs/dbraw/zinc/95/50/41/931955041.db2.gz YTTURCBJXPTCOD-UHFFFAOYSA-N 1 2 266.291 1.421 20 30 CDEDLO N#Cc1nc[nH]c1NC(=O)c1cccc2[nH+]ccn21 ZINC001154517753 937551674 /nfs/dbraw/zinc/55/16/74/937551674.db2.gz MSYQICJMZPGRJG-UHFFFAOYSA-N 1 2 252.237 1.181 20 30 CDEDLO CC(=O)OC1C[NH+]([C@@H](C)Cc2cccc(C#N)c2)C1 ZINC001171221568 932008635 /nfs/dbraw/zinc/00/86/35/932008635.db2.gz PEFICNIUCQDWCB-NSHDSACASA-N 1 2 258.321 1.737 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1cn(CCC=C)nn1)[C@@H]1CCCO1 ZINC000846862581 932143134 /nfs/dbraw/zinc/14/31/34/932143134.db2.gz WGQOVRVEWQMWRN-KGLIPLIRSA-N 1 2 260.341 1.125 20 30 CDEDLO N#Cc1ccccc1CN1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001275965714 932175419 /nfs/dbraw/zinc/17/54/19/932175419.db2.gz NNGCPRCEJXDVLN-UHFFFAOYSA-N 1 2 293.374 1.599 20 30 CDEDLO N#Cc1c(F)cc(C(=O)N2CC(n3cc[nH+]c3)C2)cc1F ZINC001412571829 932510670 /nfs/dbraw/zinc/51/06/70/932510670.db2.gz NYNNGMZQSKXOOO-UHFFFAOYSA-N 1 2 288.257 1.730 20 30 CDEDLO Cc1cc(NC(=O)N2CCC[C@@H](C#N)C2)c(C)c[nH+]1 ZINC000930628079 933417631 /nfs/dbraw/zinc/41/76/31/933417631.db2.gz XHZYVKHHMJZUPW-LBPRGKRZSA-N 1 2 258.325 1.888 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1[C@@H]3COC[C@@H]31)C2 ZINC001095881283 934799840 /nfs/dbraw/zinc/79/98/40/934799840.db2.gz AWEYWMMYUVSFAG-BSOLPCOYSA-N 1 2 296.798 1.353 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1[C@@H]3COC[C@@H]31)C2 ZINC001095881283 934799845 /nfs/dbraw/zinc/79/98/45/934799845.db2.gz AWEYWMMYUVSFAG-BSOLPCOYSA-N 1 2 296.798 1.353 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(C)no3)C[C@H]21 ZINC001114673037 934904461 /nfs/dbraw/zinc/90/44/61/934904461.db2.gz ZOVHWYWVXBPYPY-PJXYFTJBSA-N 1 2 290.367 1.137 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(C)no3)C[C@H]21 ZINC001114673037 934904464 /nfs/dbraw/zinc/90/44/64/934904464.db2.gz ZOVHWYWVXBPYPY-PJXYFTJBSA-N 1 2 290.367 1.137 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001038665216 935202584 /nfs/dbraw/zinc/20/25/84/935202584.db2.gz NMTVMABKIDXBRZ-SNVBAGLBSA-N 1 2 265.744 1.496 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001038665216 935202590 /nfs/dbraw/zinc/20/25/90/935202590.db2.gz NMTVMABKIDXBRZ-SNVBAGLBSA-N 1 2 265.744 1.496 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2sc(Cl)nc2C)C1 ZINC001007421470 935382040 /nfs/dbraw/zinc/38/20/40/935382040.db2.gz UOTUFYROTLSFOF-SNVBAGLBSA-N 1 2 297.811 1.932 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2sc(Cl)nc2C)C1 ZINC001007421470 935382046 /nfs/dbraw/zinc/38/20/46/935382046.db2.gz UOTUFYROTLSFOF-SNVBAGLBSA-N 1 2 297.811 1.932 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCOC2)C1 ZINC001010348698 935453004 /nfs/dbraw/zinc/45/30/04/935453004.db2.gz BLUUNMUPDRETNY-NWDGAFQWSA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCOC2)C1 ZINC001010348698 935453007 /nfs/dbraw/zinc/45/30/07/935453007.db2.gz BLUUNMUPDRETNY-NWDGAFQWSA-N 1 2 272.776 1.356 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC001038348005 935742222 /nfs/dbraw/zinc/74/22/22/935742222.db2.gz ZKCMESSWEFOWPG-CYBMUJFWSA-N 1 2 295.342 1.378 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC001038348005 935742224 /nfs/dbraw/zinc/74/22/24/935742224.db2.gz ZKCMESSWEFOWPG-CYBMUJFWSA-N 1 2 295.342 1.378 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccnc(C3CC3)n2)C1 ZINC001043997655 935847917 /nfs/dbraw/zinc/84/79/17/935847917.db2.gz IMDXNAKVMYCQAU-UHFFFAOYSA-N 1 2 286.379 1.686 20 30 CDEDLO C=CCCOCC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096394776 936063595 /nfs/dbraw/zinc/06/35/95/936063595.db2.gz ZKJMQSPJHAELKT-CYBMUJFWSA-N 1 2 290.367 1.073 20 30 CDEDLO C#CCC1(C(=O)N[C@@H]2CCN(c3cc[nH+]c(C)n3)C2)CCC1 ZINC001096450315 936092750 /nfs/dbraw/zinc/09/27/50/936092750.db2.gz JLFOWOOFFUKXLD-CQSZACIVSA-N 1 2 298.390 1.674 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2nc(C3CC3)cs2)CC1 ZINC001123639673 936192410 /nfs/dbraw/zinc/19/24/10/936192410.db2.gz XYTNZKVPUMQGHP-UHFFFAOYSA-N 1 2 289.404 1.802 20 30 CDEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(C)s1)C2 ZINC001096869022 936229317 /nfs/dbraw/zinc/22/93/17/936229317.db2.gz NEVRQZLQUBWOJG-UPJWGTAASA-N 1 2 289.404 1.810 20 30 CDEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(C)s1)C2 ZINC001096869022 936229321 /nfs/dbraw/zinc/22/93/21/936229321.db2.gz NEVRQZLQUBWOJG-UPJWGTAASA-N 1 2 289.404 1.810 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCF)c1 ZINC001096928686 936239660 /nfs/dbraw/zinc/23/96/60/936239660.db2.gz KAGGVADUNJMYAT-WZRBSPASSA-N 1 2 276.315 1.191 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCF)c1 ZINC001096928686 936239664 /nfs/dbraw/zinc/23/96/64/936239664.db2.gz KAGGVADUNJMYAT-WZRBSPASSA-N 1 2 276.315 1.191 20 30 CDEDLO COc1cccc2ccc(N3CC[NH2+]C[C@@H]3C#N)nc21 ZINC001156321045 938351290 /nfs/dbraw/zinc/35/12/90/938351290.db2.gz NICHCHPZLQCQHE-LBPRGKRZSA-N 1 2 268.320 1.545 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1ccc2ncc(F)cc2n1 ZINC001156327711 938352714 /nfs/dbraw/zinc/35/27/14/938352714.db2.gz JMPVEXXAMZVKCR-JTQLQIEISA-N 1 2 257.272 1.071 20 30 CDEDLO Cn1cc(NC(=O)c2ccc3[nH+]c(N)[nH]c3c2)c(C#N)n1 ZINC001156965110 938439200 /nfs/dbraw/zinc/43/92/00/938439200.db2.gz ZCNVDIQESJLVTP-UHFFFAOYSA-N 1 2 281.279 1.003 20 30 CDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001157125263 938457153 /nfs/dbraw/zinc/45/71/53/938457153.db2.gz UMIHOCMJVWPXRA-ZDUSSCGKSA-N 1 2 292.383 1.620 20 30 CDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001157125263 938457155 /nfs/dbraw/zinc/45/71/55/938457155.db2.gz UMIHOCMJVWPXRA-ZDUSSCGKSA-N 1 2 292.383 1.620 20 30 CDEDLO Cn1c[nH+]c(CCNC(=O)c2cccc3c(C#N)c[nH]c32)c1 ZINC001157171825 938462183 /nfs/dbraw/zinc/46/21/83/938462183.db2.gz QWQGZYGSKDLMTP-UHFFFAOYSA-N 1 2 293.330 1.746 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1ncc2c(C#N)c[nH]c2n1 ZINC001157462776 938496389 /nfs/dbraw/zinc/49/63/89/938496389.db2.gz ZPTQSAUQOZQAAU-UHFFFAOYSA-N 1 2 281.323 1.553 20 30 CDEDLO Cc1nc(-n2cncn2)cc(NCCCCC#N)[nH+]1 ZINC001157642043 938525127 /nfs/dbraw/zinc/52/51/27/938525127.db2.gz PVJKSBSVEFPFFR-UHFFFAOYSA-N 1 2 257.301 1.472 20 30 CDEDLO C=C(C)CCC(=O)NCCC[NH2+]Cc1noc(CCC)n1 ZINC001159015314 938690530 /nfs/dbraw/zinc/69/05/30/938690530.db2.gz YXFHVBBTNZIAPX-UHFFFAOYSA-N 1 2 294.399 1.974 20 30 CDEDLO COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1ccc(C)c(C#N)n1 ZINC001160692219 938815279 /nfs/dbraw/zinc/81/52/79/938815279.db2.gz GQSYUVJUBCGPFJ-LBPRGKRZSA-N 1 2 299.334 1.191 20 30 CDEDLO Cc1nc(NC2CN(c3cccc[nH+]3)C2)ccc1C#N ZINC001161322997 938888658 /nfs/dbraw/zinc/88/86/58/938888658.db2.gz ZFOKDMYTPYCQTH-UHFFFAOYSA-N 1 2 265.320 1.957 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2ccc3c(C#N)nccc3c2)C[NH2+]1 ZINC001164312342 939451744 /nfs/dbraw/zinc/45/17/44/939451744.db2.gz PKNHEDWYNJPMDT-JSGCOSHPSA-N 1 2 296.330 1.422 20 30 CDEDLO N#CCc1ccc(NCCCc2c[nH][nH]c2=O)[nH+]c1 ZINC001164366621 939464666 /nfs/dbraw/zinc/46/46/66/939464666.db2.gz QEYYULUJPVEPHV-LLVKDONJSA-N 1 2 257.297 1.072 20 30 CDEDLO Cc1cccc2c1ccnc2N1CC[NH2+]C[C@@H]1C#N ZINC001164652976 939502507 /nfs/dbraw/zinc/50/25/07/939502507.db2.gz WWNZBWUOTYZFTJ-LBPRGKRZSA-N 1 2 252.321 1.845 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1c1ccc(-c2ccncc2)cn1 ZINC001164661681 939503056 /nfs/dbraw/zinc/50/30/56/939503056.db2.gz NFTTUXOECHWXCZ-CQSZACIVSA-N 1 2 265.320 1.445 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC[C@](O)(CF)[C@@H](F)C2)c1 ZINC001203757046 939702669 /nfs/dbraw/zinc/70/26/69/939702669.db2.gz HMFVCQOADNUAJQ-KBPBESRZSA-N 1 2 266.291 1.803 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC[C@](O)(CF)[C@@H](F)C2)c1 ZINC001203757046 939702671 /nfs/dbraw/zinc/70/26/71/939702671.db2.gz HMFVCQOADNUAJQ-KBPBESRZSA-N 1 2 266.291 1.803 20 30 CDEDLO Cn1ncc2c1CC[N@H+](Cc1cccc(C#N)c1)C2 ZINC001203764251 939702958 /nfs/dbraw/zinc/70/29/58/939702958.db2.gz HCJUVJPRTPNXGB-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO Cn1ncc2c1CC[N@@H+](Cc1cccc(C#N)c1)C2 ZINC001203764251 939702961 /nfs/dbraw/zinc/70/29/61/939702961.db2.gz HCJUVJPRTPNXGB-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO CC(C)(O)Cn1cc([NH+]=C(NO)c2ccccc2N)cn1 ZINC001204233039 939745460 /nfs/dbraw/zinc/74/54/60/939745460.db2.gz DVIYCUKEIIQTQA-UHFFFAOYSA-N 1 2 289.339 1.293 20 30 CDEDLO Cc1nc[nH]c1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC001204589929 939779144 /nfs/dbraw/zinc/77/91/44/939779144.db2.gz LLJFBRGPZPLUSG-UHFFFAOYSA-N 1 2 282.351 1.307 20 30 CDEDLO N#Cc1nc(N)c(Nc2ccn3cc[nH+]c3c2)nc1C#N ZINC001204959845 939808599 /nfs/dbraw/zinc/80/85/99/939808599.db2.gz XESJRRIYGWNBRU-UHFFFAOYSA-N 1 2 276.263 1.193 20 30 CDEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ncccn1)C2 ZINC001207014312 940128577 /nfs/dbraw/zinc/12/85/77/940128577.db2.gz ZLKCWNMTLPNPAX-HOCLYGCPSA-N 1 2 289.379 1.803 20 30 CDEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ncccn1)C2 ZINC001207014312 940128580 /nfs/dbraw/zinc/12/85/80/940128580.db2.gz ZLKCWNMTLPNPAX-HOCLYGCPSA-N 1 2 289.379 1.803 20 30 CDEDLO C=CCN(CC[N@@H+]1CCCNC(=O)C1)C(=O)OC(C)(C)C ZINC001207198387 940165423 /nfs/dbraw/zinc/16/54/23/940165423.db2.gz CETXVWSSCQZQTD-UHFFFAOYSA-N 1 2 297.399 1.231 20 30 CDEDLO C=CCN(CC[N@H+]1CCCNC(=O)C1)C(=O)OC(C)(C)C ZINC001207198387 940165424 /nfs/dbraw/zinc/16/54/24/940165424.db2.gz CETXVWSSCQZQTD-UHFFFAOYSA-N 1 2 297.399 1.231 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)Nc1sccc1C#N ZINC001207293795 940176863 /nfs/dbraw/zinc/17/68/63/940176863.db2.gz RNWFJAOKMLQPTK-UHFFFAOYSA-N 1 2 261.310 1.675 20 30 CDEDLO COC(=O)[C@@H](C)C[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001208715684 940371826 /nfs/dbraw/zinc/37/18/26/940371826.db2.gz UAJXFKGBWHIVKM-WPRPVWTQSA-N 1 2 255.339 1.070 20 30 CDEDLO COC(=O)[C@@H](C)C[N@H+]1CCC2SC(=O)C=C2C1 ZINC001208715684 940371829 /nfs/dbraw/zinc/37/18/29/940371829.db2.gz UAJXFKGBWHIVKM-WPRPVWTQSA-N 1 2 255.339 1.070 20 30 CDEDLO COC(=O)[C@@H](C)C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001208715684 940371831 /nfs/dbraw/zinc/37/18/31/940371831.db2.gz UAJXFKGBWHIVKM-WPRPVWTQSA-N 1 2 255.339 1.070 20 30 CDEDLO COC(=O)[C@@H](C)C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001208715684 940371834 /nfs/dbraw/zinc/37/18/34/940371834.db2.gz UAJXFKGBWHIVKM-WPRPVWTQSA-N 1 2 255.339 1.070 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1-c1cccc(OC)c1C#N ZINC001210121943 940664562 /nfs/dbraw/zinc/66/45/62/940664562.db2.gz LXMZTCAFGKNKME-UHFFFAOYSA-N 1 2 286.291 1.511 20 30 CDEDLO C#Cc1cc(Nc2ccc(C(=O)OCC)nc2)cc[nH+]1 ZINC001216607964 940954019 /nfs/dbraw/zinc/95/40/19/940954019.db2.gz AKDHEDOPNDZUKK-UHFFFAOYSA-N 1 2 267.288 1.800 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)CCC)[C@H]2C1 ZINC001218872156 941281946 /nfs/dbraw/zinc/28/19/46/941281946.db2.gz HHYZHVYXNPSIJM-SOUVJXGZSA-N 1 2 278.396 1.358 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)CCC)[C@H]2C1 ZINC001218872156 941281947 /nfs/dbraw/zinc/28/19/47/941281947.db2.gz HHYZHVYXNPSIJM-SOUVJXGZSA-N 1 2 278.396 1.358 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc([N+](=O)[O-])c3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225795098 941914293 /nfs/dbraw/zinc/91/42/93/941914293.db2.gz CKBXSMYTYBZOJI-LEGMNPEXSA-N 1 2 294.282 1.725 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc([N+](=O)[O-])c3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225795098 941914295 /nfs/dbraw/zinc/91/42/95/941914295.db2.gz CKBXSMYTYBZOJI-LEGMNPEXSA-N 1 2 294.282 1.725 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cnccc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226294000 941980925 /nfs/dbraw/zinc/98/09/25/941980925.db2.gz OFANGGKQHGOZTP-PINQPDRWSA-N 1 2 266.728 1.726 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cnccc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226294000 941980927 /nfs/dbraw/zinc/98/09/27/941980927.db2.gz OFANGGKQHGOZTP-PINQPDRWSA-N 1 2 266.728 1.726 20 30 CDEDLO CC(=O)Nc1cccnc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001226315790 941984507 /nfs/dbraw/zinc/98/45/07/941984507.db2.gz ZSFMIXATTBHLDC-VSSGSJIUSA-N 1 2 289.335 1.031 20 30 CDEDLO CC(=O)Nc1cccnc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001226315790 941984511 /nfs/dbraw/zinc/98/45/11/941984511.db2.gz ZSFMIXATTBHLDC-VSSGSJIUSA-N 1 2 289.335 1.031 20 30 CDEDLO C=CCCC(=O)NC1CC[NH+]([C@@H](C)c2nc(C)no2)CC1 ZINC001226518407 942019169 /nfs/dbraw/zinc/01/91/69/942019169.db2.gz HOIDLCWGYWBDFT-NSHDSACASA-N 1 2 292.383 1.986 20 30 CDEDLO C=CCCC(=O)NC1CC[NH+](Cc2nnc(C)o2)CC1 ZINC001226526881 942020573 /nfs/dbraw/zinc/02/05/73/942020573.db2.gz ADOGBLQFCPZUJO-UHFFFAOYSA-N 1 2 278.356 1.425 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2ccc(=O)[nH]n2)C1 ZINC001227093882 942130571 /nfs/dbraw/zinc/13/05/71/942130571.db2.gz VWXCWLLPQJURBG-AWEZNQCLSA-N 1 2 296.330 1.707 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2ccc(=O)[nH]n2)C1 ZINC001227093882 942130575 /nfs/dbraw/zinc/13/05/75/942130575.db2.gz VWXCWLLPQJURBG-AWEZNQCLSA-N 1 2 296.330 1.707 20 30 CDEDLO CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1[nH]ncc1F ZINC001228434859 942315665 /nfs/dbraw/zinc/31/56/65/942315665.db2.gz IWBIKVWMLYGRMV-VXGBXAGGSA-N 1 2 278.331 1.203 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3noc4cccc(F)c43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228714008 942365612 /nfs/dbraw/zinc/36/56/12/942365612.db2.gz LBJJTFJVPJEEGH-LEGMNPEXSA-N 1 2 290.294 1.958 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3noc4cccc(F)c43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228714008 942365614 /nfs/dbraw/zinc/36/56/14/942365614.db2.gz LBJJTFJVPJEEGH-LEGMNPEXSA-N 1 2 290.294 1.958 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1NCC#N ZINC001229037651 942410380 /nfs/dbraw/zinc/41/03/80/942410380.db2.gz NKPISBIXRRQZCC-IACUBPJLSA-N 1 2 289.383 1.129 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1NCC#N ZINC001229037651 942410382 /nfs/dbraw/zinc/41/03/82/942410382.db2.gz NKPISBIXRRQZCC-IACUBPJLSA-N 1 2 289.383 1.129 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(=O)NCCC ZINC001231122870 942793416 /nfs/dbraw/zinc/79/34/16/942793416.db2.gz PQDLHJIRECZDAJ-KGLIPLIRSA-N 1 2 295.427 1.400 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NCCC ZINC001231122870 942793418 /nfs/dbraw/zinc/79/34/18/942793418.db2.gz PQDLHJIRECZDAJ-KGLIPLIRSA-N 1 2 295.427 1.400 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cc3ncccc3[nH]2)CC1 ZINC001232070290 943124879 /nfs/dbraw/zinc/12/48/79/943124879.db2.gz QASMCQMACNACQN-UHFFFAOYSA-N 1 2 269.352 1.594 20 30 CDEDLO COc1ccc(C[NH+]2CCN(CCC#N)CC2)c(C)n1 ZINC001232332087 943221388 /nfs/dbraw/zinc/22/13/88/943221388.db2.gz AQHNBUQBDFKBGQ-UHFFFAOYSA-N 1 2 274.368 1.430 20 30 CDEDLO N#Cc1ccnc(C[NH+]2CCN(c3cccc(O)c3)CC2)c1 ZINC001232480473 943294767 /nfs/dbraw/zinc/29/47/67/943294767.db2.gz YEKRAZCWBXTGQM-UHFFFAOYSA-N 1 2 294.358 1.981 20 30 CDEDLO C[N@H+](Cc1ccncn1)Cc1cc(C#N)ccc1O ZINC001232681599 943361570 /nfs/dbraw/zinc/36/15/70/943361570.db2.gz SMRZNXRGNHSBAO-UHFFFAOYSA-N 1 2 254.293 1.686 20 30 CDEDLO C[N@@H+](Cc1ccncn1)Cc1cc(C#N)ccc1O ZINC001232681599 943361576 /nfs/dbraw/zinc/36/15/76/943361576.db2.gz SMRZNXRGNHSBAO-UHFFFAOYSA-N 1 2 254.293 1.686 20 30 CDEDLO CN(C)C(=O)[C@@H]1CC12CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001233045097 943473673 /nfs/dbraw/zinc/47/36/73/943473673.db2.gz SGZJYSZKSCHKMU-ZDUSSCGKSA-N 1 2 286.379 1.577 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC(=O)[C@@H](F)CC2)c(O)c1 ZINC001233383526 943570945 /nfs/dbraw/zinc/57/09/45/943570945.db2.gz LDSHHXFUBDUYDD-LBPRGKRZSA-N 1 2 262.284 1.767 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC(=O)[C@@H](F)CC2)c(O)c1 ZINC001233383526 943570947 /nfs/dbraw/zinc/57/09/47/943570947.db2.gz LDSHHXFUBDUYDD-LBPRGKRZSA-N 1 2 262.284 1.767 20 30 CDEDLO COC(=O)c1ccc(OC2C[NH+](C(C)C)C2)c(C#N)c1 ZINC001233628525 943629765 /nfs/dbraw/zinc/62/97/65/943629765.db2.gz QDNHWLSRZMZNDB-UHFFFAOYSA-N 1 2 274.320 1.816 20 30 CDEDLO C#CCN(CC#CC)c1nnc([C@H]2CCCC[N@@H+]2C)n1CC ZINC001263056290 943727002 /nfs/dbraw/zinc/72/70/02/943727002.db2.gz WNERJEHDGWQVEH-OAHLLOKOSA-N 1 2 299.422 1.918 20 30 CDEDLO C#CCN(CC#CC)c1nnc([C@H]2CCCC[N@H+]2C)n1CC ZINC001263056290 943727004 /nfs/dbraw/zinc/72/70/04/943727004.db2.gz WNERJEHDGWQVEH-OAHLLOKOSA-N 1 2 299.422 1.918 20 30 CDEDLO COc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c(OC)n1 ZINC001234257312 943785028 /nfs/dbraw/zinc/78/50/28/943785028.db2.gz UHMXWZKFGUVMJD-OTDFPYDRSA-N 1 2 292.335 1.090 20 30 CDEDLO COc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c(OC)n1 ZINC001234257312 943785034 /nfs/dbraw/zinc/78/50/34/943785034.db2.gz UHMXWZKFGUVMJD-OTDFPYDRSA-N 1 2 292.335 1.090 20 30 CDEDLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)[C@H](C#N)c1nccn1C ZINC001263331996 943834071 /nfs/dbraw/zinc/83/40/71/943834071.db2.gz DJBIDTVYSNIEAE-NWDGAFQWSA-N 1 2 260.341 1.469 20 30 CDEDLO CC(C)[N@H+]1CCC[C@@H]1C(=O)[C@H](C#N)c1nccn1C ZINC001263331996 943834073 /nfs/dbraw/zinc/83/40/73/943834073.db2.gz DJBIDTVYSNIEAE-NWDGAFQWSA-N 1 2 260.341 1.469 20 30 CDEDLO C=C(C)CN(CC)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001263778930 943971708 /nfs/dbraw/zinc/97/17/08/943971708.db2.gz UWHZOJKBJSSHGU-ZIAGYGMSSA-N 1 2 282.432 1.228 20 30 CDEDLO C=C(C)CN(CC)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001263778930 943971713 /nfs/dbraw/zinc/97/17/13/943971713.db2.gz UWHZOJKBJSSHGU-ZIAGYGMSSA-N 1 2 282.432 1.228 20 30 CDEDLO C=CCOCC(=O)NCCC[N@@H+](C)Cc1nccn1CC ZINC001235698915 944253728 /nfs/dbraw/zinc/25/37/28/944253728.db2.gz PKMBVOUTVNDHGU-UHFFFAOYSA-N 1 2 294.399 1.044 20 30 CDEDLO C=CCOCC(=O)NCCC[N@H+](C)Cc1nccn1CC ZINC001235698915 944253735 /nfs/dbraw/zinc/25/37/35/944253735.db2.gz PKMBVOUTVNDHGU-UHFFFAOYSA-N 1 2 294.399 1.044 20 30 CDEDLO C#CCN1CC[NH+](Cc2ccccc2NC(C)=O)CC1 ZINC001237411670 944762129 /nfs/dbraw/zinc/76/21/29/944762129.db2.gz AXPRSAQDZDCCJE-UHFFFAOYSA-N 1 2 271.364 1.396 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccccc2NC(C)=O)CC1 ZINC001237411670 944762137 /nfs/dbraw/zinc/76/21/37/944762137.db2.gz AXPRSAQDZDCCJE-UHFFFAOYSA-N 1 2 271.364 1.396 20 30 CDEDLO N#CCC1C[NH+](Cc2cccc(N3CCOCC3)n2)C1 ZINC001237841556 944976782 /nfs/dbraw/zinc/97/67/82/944976782.db2.gz VCBIPRFJPCVBJF-UHFFFAOYSA-N 1 2 272.352 1.264 20 30 CDEDLO C[C@]1(O)COCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC001238082782 945053838 /nfs/dbraw/zinc/05/38/38/945053838.db2.gz NEROYYBLESLNFA-CQSZACIVSA-N 1 2 280.755 1.795 20 30 CDEDLO C[C@]1(O)COCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC001238082782 945053830 /nfs/dbraw/zinc/05/38/30/945053830.db2.gz NEROYYBLESLNFA-CQSZACIVSA-N 1 2 280.755 1.795 20 30 CDEDLO C[C@H]1CC(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)=NO1 ZINC001362461648 971299217 /nfs/dbraw/zinc/29/92/17/971299217.db2.gz FEWLZRAGNDKUFJ-LBPRGKRZSA-N 1 2 298.346 1.712 20 30 CDEDLO C[C@@H]1C[C@@H](C(=O)NC2(C#N)CC[NH+](C)CC2)CCC1=O ZINC001254145253 947302180 /nfs/dbraw/zinc/30/21/80/947302180.db2.gz RBBITEJLNZDARS-NEPJUHHUSA-N 1 2 277.368 1.096 20 30 CDEDLO COc1ccc(-c2[nH+]ncc3c2OCCN3C)cc1C#N ZINC001244707058 947445006 /nfs/dbraw/zinc/44/50/06/947445006.db2.gz DGEPGTBRXSZCRL-UHFFFAOYSA-N 1 2 282.303 1.852 20 30 CDEDLO CCOC(=O)[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C1CCOCC1 ZINC001254645278 947567809 /nfs/dbraw/zinc/56/78/09/947567809.db2.gz BLXQWUQTUGGUJF-KWCYVHTRSA-N 1 2 280.368 1.627 20 30 CDEDLO CCOC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CC[C@@H](C#N)C2)cn1 ZINC001254655090 947574387 /nfs/dbraw/zinc/57/43/87/947574387.db2.gz YNTXQMIQCZKMCL-RTXFEEFZSA-N 1 2 276.340 1.181 20 30 CDEDLO CCOCc1ncn2c1C[N@@H+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC001254666497 947579979 /nfs/dbraw/zinc/57/99/79/947579979.db2.gz VRTZGIDJJCGBPN-STQMWFEESA-N 1 2 274.368 1.927 20 30 CDEDLO CCOCc1ncn2c1C[N@H+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC001254666497 947579984 /nfs/dbraw/zinc/57/99/84/947579984.db2.gz VRTZGIDJJCGBPN-STQMWFEESA-N 1 2 274.368 1.927 20 30 CDEDLO C=C[C@@H]1C[C@]1([NH2+]C1CCSCC1)C(=O)OCC ZINC001255081904 947719087 /nfs/dbraw/zinc/71/90/87/947719087.db2.gz CKDSYFHGLURFME-ZWNOBZJWSA-N 1 2 255.383 1.979 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@@H]1COc2ccc(Cl)cc2C1 ZINC001257956091 948671610 /nfs/dbraw/zinc/67/16/10/948671610.db2.gz FESPKHHNMOAEFF-STQMWFEESA-N 1 2 277.755 1.441 20 30 CDEDLO CCc1cc(C#N)ccc1C[N@@H+]1CCNC(=O)C1(C)C ZINC001248751216 949122833 /nfs/dbraw/zinc/12/28/33/949122833.db2.gz NOYVOYYEDIEHOE-UHFFFAOYSA-N 1 2 271.364 1.831 20 30 CDEDLO CCc1cc(C#N)ccc1C[N@H+]1CCNC(=O)C1(C)C ZINC001248751216 949122844 /nfs/dbraw/zinc/12/28/44/949122844.db2.gz NOYVOYYEDIEHOE-UHFFFAOYSA-N 1 2 271.364 1.831 20 30 CDEDLO N#Cc1ccc2cc(C[N@H+]3CC[C@@](F)(CO)C3)[nH]c2c1 ZINC001249426299 949592341 /nfs/dbraw/zinc/59/23/41/949592341.db2.gz LQSIZNGLALTURK-HNNXBMFYSA-N 1 2 273.311 1.946 20 30 CDEDLO N#Cc1ccc2cc(C[N@@H+]3CC[C@@](F)(CO)C3)[nH]c2c1 ZINC001249426299 949592360 /nfs/dbraw/zinc/59/23/60/949592360.db2.gz LQSIZNGLALTURK-HNNXBMFYSA-N 1 2 273.311 1.946 20 30 CDEDLO N#Cc1ccc(Cc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC001250052363 949971155 /nfs/dbraw/zinc/97/11/55/949971155.db2.gz WWXPVOWWBCWCEF-UHFFFAOYSA-N 1 2 296.374 1.678 20 30 CDEDLO C#CCOC[C@H](O)CNc1cccc(-n2cc[nH+]c2)c1 ZINC001251860555 950879068 /nfs/dbraw/zinc/87/90/68/950879068.db2.gz NXIXXMWODHVCHR-OAHLLOKOSA-N 1 2 271.320 1.295 20 30 CDEDLO N#CC[C@H](C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC001363657758 953616032 /nfs/dbraw/zinc/61/60/32/953616032.db2.gz LJLSYIHNOPTZCF-GJZGRUSLSA-N 1 2 298.346 1.127 20 30 CDEDLO N#CC[C@H](C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1)c1ccccc1 ZINC001363657758 953616039 /nfs/dbraw/zinc/61/60/39/953616039.db2.gz LJLSYIHNOPTZCF-GJZGRUSLSA-N 1 2 298.346 1.127 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccnc(C#N)c1 ZINC001364409170 954577437 /nfs/dbraw/zinc/57/74/37/954577437.db2.gz MGYLHDIQNSNYSU-JTQLQIEISA-N 1 2 270.296 1.360 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccn(C)n1 ZINC001364419419 954591613 /nfs/dbraw/zinc/59/16/13/954591613.db2.gz VCZBYSQGCVCHDN-RYUDHWBXSA-N 1 2 277.372 1.079 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)Nc1cc(F)cc(C#N)c1 ZINC001364420100 954592329 /nfs/dbraw/zinc/59/23/29/954592329.db2.gz HVQFCPNFOZVHBF-UHFFFAOYSA-N 1 2 273.271 1.753 20 30 CDEDLO N#CC[C@]1(O)CCN(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC001365071139 955564408 /nfs/dbraw/zinc/56/44/08/955564408.db2.gz VMLRZRQCUTWBMP-AWEZNQCLSA-N 1 2 285.307 1.217 20 30 CDEDLO Cc1noc([C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)n1 ZINC001421841848 955586865 /nfs/dbraw/zinc/58/68/65/955586865.db2.gz PLYNLAFCXBLNKU-WDEREUQCSA-N 1 2 293.371 1.379 20 30 CDEDLO Cc1noc([C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)n1 ZINC001421841848 955586872 /nfs/dbraw/zinc/58/68/72/955586872.db2.gz PLYNLAFCXBLNKU-WDEREUQCSA-N 1 2 293.371 1.379 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccncc1 ZINC001329374063 955854491 /nfs/dbraw/zinc/85/44/91/955854491.db2.gz ZTSUCYZRTBLHBE-NSHDSACASA-N 1 2 267.760 1.884 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccncc1 ZINC001329374063 955854502 /nfs/dbraw/zinc/85/45/02/955854502.db2.gz ZTSUCYZRTBLHBE-NSHDSACASA-N 1 2 267.760 1.884 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(=O)[nH]1 ZINC001422790517 956354886 /nfs/dbraw/zinc/35/48/86/956354886.db2.gz DLSAFSMAQIHJNL-SNVBAGLBSA-N 1 2 283.759 1.590 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cccc(=O)[nH]1 ZINC001422790517 956354900 /nfs/dbraw/zinc/35/49/00/956354900.db2.gz DLSAFSMAQIHJNL-SNVBAGLBSA-N 1 2 283.759 1.590 20 30 CDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](c2ncccn2)C1 ZINC001308115823 956472722 /nfs/dbraw/zinc/47/27/22/956472722.db2.gz YROSIABPJCHWQX-VXGBXAGGSA-N 1 2 261.325 1.384 20 30 CDEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](c2ncccn2)C1 ZINC001308115823 956472734 /nfs/dbraw/zinc/47/27/34/956472734.db2.gz YROSIABPJCHWQX-VXGBXAGGSA-N 1 2 261.325 1.384 20 30 CDEDLO C[C@H](C#N)C(=O)NC1C[NH+](Cc2ccccc2N(C)C)C1 ZINC001494359872 972216923 /nfs/dbraw/zinc/21/69/23/972216923.db2.gz WSKLCHPHZKGFIJ-GFCCVEGCSA-N 1 2 286.379 1.213 20 30 CDEDLO CC(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001366728184 957145016 /nfs/dbraw/zinc/14/50/16/957145016.db2.gz AOQVYHTUBDKAAW-UHFFFAOYSA-N 1 2 275.327 1.798 20 30 CDEDLO CC(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001366728184 957145019 /nfs/dbraw/zinc/14/50/19/957145019.db2.gz AOQVYHTUBDKAAW-UHFFFAOYSA-N 1 2 275.327 1.798 20 30 CDEDLO C=CCn1cnn(C[N@H+]2CCC[C@@H](COC)C2)c1=S ZINC001318462787 958117626 /nfs/dbraw/zinc/11/76/26/958117626.db2.gz VJTKWBYMNIGNRO-GFCCVEGCSA-N 1 2 282.413 1.916 20 30 CDEDLO C=CCn1cnn(C[N@@H+]2CCC[C@@H](COC)C2)c1=S ZINC001318462787 958117636 /nfs/dbraw/zinc/11/76/36/958117636.db2.gz VJTKWBYMNIGNRO-GFCCVEGCSA-N 1 2 282.413 1.916 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(C)[nH]c1=O ZINC001367841997 958420612 /nfs/dbraw/zinc/42/06/12/958420612.db2.gz WCSYGSFDCBEZKL-NSHDSACASA-N 1 2 297.786 1.898 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(C)[nH]c1=O ZINC001367841997 958420619 /nfs/dbraw/zinc/42/06/19/958420619.db2.gz WCSYGSFDCBEZKL-NSHDSACASA-N 1 2 297.786 1.898 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001320584419 959258901 /nfs/dbraw/zinc/25/89/01/959258901.db2.gz NVIZZWDDGWVYEO-CABCVRRESA-N 1 2 286.379 1.854 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001320584419 959258917 /nfs/dbraw/zinc/25/89/17/959258917.db2.gz NVIZZWDDGWVYEO-CABCVRRESA-N 1 2 286.379 1.854 20 30 CDEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1ccc(Cl)cn1 ZINC001323093030 960445700 /nfs/dbraw/zinc/44/57/00/960445700.db2.gz CPMXEENRUIOCAE-UHFFFAOYSA-N 1 2 281.743 1.255 20 30 CDEDLO C#CCOCC[N@H+](C)CC(=O)Nc1ccc(Cl)cn1 ZINC001323093030 960445711 /nfs/dbraw/zinc/44/57/11/960445711.db2.gz CPMXEENRUIOCAE-UHFFFAOYSA-N 1 2 281.743 1.255 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+][C@@H]1Cc2ccccc2NC1=O ZINC001336783105 960584186 /nfs/dbraw/zinc/58/41/86/960584186.db2.gz DPEKEHRFTAAEPP-BXUZGUMPSA-N 1 2 268.320 1.583 20 30 CDEDLO Cc1nc([C@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H](C)C#N)C2)no1 ZINC001418690671 960911920 /nfs/dbraw/zinc/91/19/20/960911920.db2.gz WYCRQWVWCLGBQE-RBLKWDMZSA-N 1 2 291.355 1.083 20 30 CDEDLO C=C[C@H](COC)NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC001324033024 961124821 /nfs/dbraw/zinc/12/48/21/961124821.db2.gz VWFYSOPUVINCGZ-MJBXVCDLSA-N 1 2 292.383 1.677 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CCCCC)n2CC)CC1 ZINC001339794037 962544337 /nfs/dbraw/zinc/54/43/37/962544337.db2.gz OHSBMVWZCKCWOF-UHFFFAOYSA-N 1 2 289.427 1.786 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1ncc(C)s1 ZINC001437746878 963159095 /nfs/dbraw/zinc/15/90/95/963159095.db2.gz WFBKEZVYLORMDU-LLVKDONJSA-N 1 2 294.424 1.939 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1ncc(C)s1 ZINC001437746878 963159097 /nfs/dbraw/zinc/15/90/97/963159097.db2.gz WFBKEZVYLORMDU-LLVKDONJSA-N 1 2 294.424 1.939 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccn(C)n1 ZINC001439401056 963751463 /nfs/dbraw/zinc/75/14/63/963751463.db2.gz ADAKXDLINBCPIJ-SNVBAGLBSA-N 1 2 270.764 1.223 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccn(C)n1 ZINC001439401056 963751466 /nfs/dbraw/zinc/75/14/66/963751466.db2.gz ADAKXDLINBCPIJ-SNVBAGLBSA-N 1 2 270.764 1.223 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnn(C)c1 ZINC001440905544 964243981 /nfs/dbraw/zinc/24/39/81/964243981.db2.gz WCICJFOLZCHHIN-JTQLQIEISA-N 1 2 270.764 1.223 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnn(C)c1 ZINC001440905544 964243991 /nfs/dbraw/zinc/24/39/91/964243991.db2.gz WCICJFOLZCHHIN-JTQLQIEISA-N 1 2 270.764 1.223 20 30 CDEDLO C=C(Cl)CN(C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001442434811 965063253 /nfs/dbraw/zinc/06/32/53/965063253.db2.gz KJQVKDDJFMMIFG-LBPRGKRZSA-N 1 2 296.802 1.246 20 30 CDEDLO C=CCOCCCC(=O)OCc1c[nH+]cn1CC ZINC001350332822 966637208 /nfs/dbraw/zinc/63/72/08/966637208.db2.gz GTNYHBZTEOACPY-UHFFFAOYSA-N 1 2 252.314 1.929 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)NCc1ccc(C#N)c(F)c1 ZINC001548715443 967776836 /nfs/dbraw/zinc/77/68/36/967776836.db2.gz MTUNLVOIGJDCTJ-UHFFFAOYSA-N 1 2 286.310 1.680 20 30 CDEDLO CON=CC(=O)NC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cccs1 ZINC001548828697 967907922 /nfs/dbraw/zinc/90/79/22/967907922.db2.gz JKSIDWBYFPVKFZ-MNOVXSKESA-N 1 2 299.371 1.409 20 30 CDEDLO CON=CC(=O)NC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cccs1 ZINC001548828697 967907929 /nfs/dbraw/zinc/90/79/29/967907929.db2.gz JKSIDWBYFPVKFZ-MNOVXSKESA-N 1 2 299.371 1.409 20 30 CDEDLO C=CCCOCC(=O)NCCN(CC)c1cc[nH+]c(C)n1 ZINC001100552252 968693382 /nfs/dbraw/zinc/69/33/82/968693382.db2.gz OJVIJHJBEUIQQW-UHFFFAOYSA-N 1 2 292.383 1.320 20 30 CDEDLO Cc1ccc(C#N)cc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001355207348 969087862 /nfs/dbraw/zinc/08/78/62/969087862.db2.gz ZNQVSNANCKAFLA-LBPRGKRZSA-N 1 2 268.320 1.882 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2csc(C#N)c2)C1 ZINC001361316726 970105720 /nfs/dbraw/zinc/10/57/20/970105720.db2.gz PKMFKAKKZMADIB-JTQLQIEISA-N 1 2 286.360 1.983 20 30 CDEDLO C=CCn1c(Nc2ccn(C)n2)nnc1[C@H]1CCC[N@@H+]1C ZINC001520505443 970194021 /nfs/dbraw/zinc/19/40/21/970194021.db2.gz UIRYMBTWQXUOAP-LLVKDONJSA-N 1 2 287.371 1.708 20 30 CDEDLO C=CCn1c(Nc2ccn(C)n2)nnc1[C@H]1CCC[N@H+]1C ZINC001520505443 970194027 /nfs/dbraw/zinc/19/40/27/970194027.db2.gz UIRYMBTWQXUOAP-LLVKDONJSA-N 1 2 287.371 1.708 20 30 CDEDLO Cn1c(C#N)ccc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001361987747 970744652 /nfs/dbraw/zinc/74/46/52/970744652.db2.gz GKKRCWDPUKFOHM-UHFFFAOYSA-N 1 2 283.335 1.640 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccc(N(C)C)nc1 ZINC001372027090 972754018 /nfs/dbraw/zinc/75/40/18/972754018.db2.gz JNEQNCWPCLOFGD-UHFFFAOYSA-N 1 2 296.802 1.562 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccc(N(C)C)nc1 ZINC001372027090 972754024 /nfs/dbraw/zinc/75/40/24/972754024.db2.gz JNEQNCWPCLOFGD-UHFFFAOYSA-N 1 2 296.802 1.562 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnn(CCC)c1 ZINC001372131354 972803061 /nfs/dbraw/zinc/80/30/61/972803061.db2.gz SSNIGAAOTWGRBP-UHFFFAOYSA-N 1 2 284.791 1.707 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnn(CCC)c1 ZINC001372131354 972803072 /nfs/dbraw/zinc/80/30/72/972803072.db2.gz SSNIGAAOTWGRBP-UHFFFAOYSA-N 1 2 284.791 1.707 20 30 CDEDLO C=C(Cl)CN1CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001375371083 974356633 /nfs/dbraw/zinc/35/66/33/974356633.db2.gz ZYHWKWMTRWIPKS-NSHDSACASA-N 1 2 282.775 1.204 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCc1ncccn1 ZINC001406680351 976358256 /nfs/dbraw/zinc/35/82/56/976358256.db2.gz XWHYLCGWJVVKRL-LBPRGKRZSA-N 1 2 296.802 1.598 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCc1ncccn1 ZINC001406680351 976358281 /nfs/dbraw/zinc/35/82/81/976358281.db2.gz XWHYLCGWJVVKRL-LBPRGKRZSA-N 1 2 296.802 1.598 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)COCC1CCCC1 ZINC001390770899 976494219 /nfs/dbraw/zinc/49/42/19/976494219.db2.gz ZCZSPLIENOZBLQ-UHFFFAOYSA-N 1 2 288.819 1.994 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)COCC1CCCC1 ZINC001390770899 976494229 /nfs/dbraw/zinc/49/42/29/976494229.db2.gz ZCZSPLIENOZBLQ-UHFFFAOYSA-N 1 2 288.819 1.994 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CCc1cncnc1 ZINC001399732018 976662514 /nfs/dbraw/zinc/66/25/14/976662514.db2.gz RBZOAKKCYLBTEY-UHFFFAOYSA-N 1 2 296.802 1.600 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CCc1cncnc1 ZINC001399732018 976662520 /nfs/dbraw/zinc/66/25/20/976662520.db2.gz RBZOAKKCYLBTEY-UHFFFAOYSA-N 1 2 296.802 1.600 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)COC(C)C)C1 ZINC001381771155 977011014 /nfs/dbraw/zinc/01/10/14/977011014.db2.gz LVUJCRDVYVXTKD-LLVKDONJSA-N 1 2 274.792 1.600 20 30 CDEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001132565689 1163374835 /nfs/dbraw/zinc/37/48/35/1163374835.db2.gz YHTFWVNKXBLMII-GHMZBOCLSA-N 1 2 292.383 1.611 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[NH2+]Cc1cnsn1 ZINC001132660427 1163427688 /nfs/dbraw/zinc/42/76/88/1163427688.db2.gz MVDRFQIWESPBGS-SNVBAGLBSA-N 1 2 268.386 1.346 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001133144983 1163586937 /nfs/dbraw/zinc/58/69/37/1163586937.db2.gz KFGNISYOPRBBLE-UHFFFAOYSA-N 1 2 266.345 1.194 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001133378156 1163662515 /nfs/dbraw/zinc/66/25/15/1163662515.db2.gz BHISDMXLAPYJBF-CYBMUJFWSA-N 1 2 266.345 1.186 20 30 CDEDLO CCNc1ccc(C#N)cc1NC(=O)C[C@@H]([NH3+])C(F)F ZINC001577902358 1171763837 /nfs/dbraw/zinc/76/38/37/1171763837.db2.gz OCHDNRQXRPGRGB-SECBINFHSA-N 1 2 282.294 1.911 20 30 CDEDLO C[C@H](C#N)CN(C)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000148071615 342464781 /nfs/dbraw/zinc/46/47/81/342464781.db2.gz KOQBNXPTJMSJRO-LLVKDONJSA-N 1 2 269.308 1.499 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000589300248 342503054 /nfs/dbraw/zinc/50/30/54/342503054.db2.gz LDFBLYPANQDXFW-JHJVBQTASA-N 1 2 265.353 1.748 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000589300248 342503055 /nfs/dbraw/zinc/50/30/55/342503055.db2.gz LDFBLYPANQDXFW-JHJVBQTASA-N 1 2 265.353 1.748 20 30 CDEDLO N#C[C@@]1(F)CCN(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000589343682 342504103 /nfs/dbraw/zinc/50/41/03/342504103.db2.gz MORUXVHIRIWNTF-ZDUSSCGKSA-N 1 2 273.271 1.804 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCCC1CC1 ZINC000589703650 342512348 /nfs/dbraw/zinc/51/23/48/342512348.db2.gz QMFAPNUPPUDNQK-UHFFFAOYSA-N 1 2 293.411 1.641 20 30 CDEDLO C[C@@H]1C[N@H+](CCOCCC#N)C[C@@H](C(F)(F)F)O1 ZINC000590162476 342523635 /nfs/dbraw/zinc/52/36/35/342523635.db2.gz MZXXWZLPEQYPIF-ZJUUUORDSA-N 1 2 266.263 1.568 20 30 CDEDLO C[C@@H]1C[N@@H+](CCOCCC#N)C[C@@H](C(F)(F)F)O1 ZINC000590162476 342523636 /nfs/dbraw/zinc/52/36/36/342523636.db2.gz MZXXWZLPEQYPIF-ZJUUUORDSA-N 1 2 266.263 1.568 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000042455339 341999208 /nfs/dbraw/zinc/99/92/08/341999208.db2.gz PBECEORZSGCDJV-OCCSQVGLSA-N 1 2 273.336 1.389 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000042455339 341999209 /nfs/dbraw/zinc/99/92/09/341999209.db2.gz PBECEORZSGCDJV-OCCSQVGLSA-N 1 2 273.336 1.389 20 30 CDEDLO COC[C@](C)(C#N)NC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000601319685 342552984 /nfs/dbraw/zinc/55/29/84/342552984.db2.gz FTJUYQKWVIBQPZ-HNNXBMFYSA-N 1 2 284.319 1.735 20 30 CDEDLO N#Cc1cnccc1NCC1CC[NH+](CC(F)F)CC1 ZINC000590567412 342576147 /nfs/dbraw/zinc/57/61/47/342576147.db2.gz BVLODVQKGJTZGA-UHFFFAOYSA-N 1 2 280.322 1.764 20 30 CDEDLO CCC[C@H](C#N)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000608853455 342078565 /nfs/dbraw/zinc/07/85/65/342078565.db2.gz HPNUPFWWHIHSBK-GFCCVEGCSA-N 1 2 270.336 1.994 20 30 CDEDLO N#CCCN1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000591022252 342614291 /nfs/dbraw/zinc/61/42/91/342614291.db2.gz LNKWEOVXQPULQX-UHFFFAOYSA-N 1 2 255.325 1.599 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)on1 ZINC000198105858 342614529 /nfs/dbraw/zinc/61/45/29/342614529.db2.gz SWBHCWOGJCLRAL-UHFFFAOYSA-N 1 2 283.335 1.572 20 30 CDEDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000087833280 361825172 /nfs/dbraw/zinc/82/51/72/361825172.db2.gz UMCRMMFIJCDERW-CQSZACIVSA-N 1 2 287.363 1.667 20 30 CDEDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000087833280 361825178 /nfs/dbraw/zinc/82/51/78/361825178.db2.gz UMCRMMFIJCDERW-CQSZACIVSA-N 1 2 287.363 1.667 20 30 CDEDLO COCC[N@H+](CCC#N)CCC(=O)Nc1cccnc1 ZINC000616757885 342133442 /nfs/dbraw/zinc/13/34/42/342133442.db2.gz BDVSZFHBJYXMDP-UHFFFAOYSA-N 1 2 276.340 1.272 20 30 CDEDLO COCC[N@@H+](CCC#N)CCC(=O)Nc1cccnc1 ZINC000616757885 342133443 /nfs/dbraw/zinc/13/34/43/342133443.db2.gz BDVSZFHBJYXMDP-UHFFFAOYSA-N 1 2 276.340 1.272 20 30 CDEDLO CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCN(CCC#N)CC1 ZINC000616768741 342133812 /nfs/dbraw/zinc/13/38/12/342133812.db2.gz ISIHLJQTBWBZGW-ZDUSSCGKSA-N 1 2 281.400 1.638 20 30 CDEDLO CC[C@H]1CN(c2cc(C)[nH+]cc2C#N)C[C@@H](C)S1(=O)=O ZINC000591825089 342647771 /nfs/dbraw/zinc/64/77/71/342647771.db2.gz KRABYOLDDDHEAC-YPMHNXCESA-N 1 2 293.392 1.664 20 30 CDEDLO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592146545 342673423 /nfs/dbraw/zinc/67/34/23/342673423.db2.gz CRTJEULQVQNEDP-XJKSGUPXSA-N 1 2 287.363 1.673 20 30 CDEDLO Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592146545 342673425 /nfs/dbraw/zinc/67/34/25/342673425.db2.gz CRTJEULQVQNEDP-XJKSGUPXSA-N 1 2 287.363 1.673 20 30 CDEDLO C[C@H](CC(=O)Nc1nc(C#N)c(C#N)[nH]1)C1CC[NH2+]CC1 ZINC000592259137 342683541 /nfs/dbraw/zinc/68/35/41/342683541.db2.gz FCCVOIGRNYTTPI-SECBINFHSA-N 1 2 286.339 1.117 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2c(F)cccc2F)C1 ZINC000592150440 342668693 /nfs/dbraw/zinc/66/86/93/342668693.db2.gz COOUSLDYWCNRRJ-CYBMUJFWSA-N 1 2 252.264 1.815 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000592150440 342668694 /nfs/dbraw/zinc/66/86/94/342668694.db2.gz COOUSLDYWCNRRJ-CYBMUJFWSA-N 1 2 252.264 1.815 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000592521967 342701788 /nfs/dbraw/zinc/70/17/88/342701788.db2.gz FVJQOLGTWIUONY-CYBMUJFWSA-N 1 2 270.254 1.954 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000592521967 342701789 /nfs/dbraw/zinc/70/17/89/342701789.db2.gz FVJQOLGTWIUONY-CYBMUJFWSA-N 1 2 270.254 1.954 20 30 CDEDLO CC#CC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000339750454 361871243 /nfs/dbraw/zinc/87/12/43/361871243.db2.gz CUYKDYZTACFHLT-UHFFFAOYSA-N 1 2 258.281 1.926 20 30 CDEDLO CC#CC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000339750454 361871248 /nfs/dbraw/zinc/87/12/48/361871248.db2.gz CUYKDYZTACFHLT-UHFFFAOYSA-N 1 2 258.281 1.926 20 30 CDEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H]1C(F)F ZINC000329701818 361873404 /nfs/dbraw/zinc/87/34/04/361873404.db2.gz HOKJHPHRABLHBF-GZMMTYOYSA-N 1 2 284.310 1.911 20 30 CDEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H]1C(F)F ZINC000329701818 361873405 /nfs/dbraw/zinc/87/34/05/361873405.db2.gz HOKJHPHRABLHBF-GZMMTYOYSA-N 1 2 284.310 1.911 20 30 CDEDLO CC(C)C[C@H](CNC(=O)[C@@]1(C#N)C[C@H]1C)[NH+]1CCOCC1 ZINC000448634892 361859204 /nfs/dbraw/zinc/85/92/04/361859204.db2.gz WSANBKMINJNTRK-IIAWOOMASA-N 1 2 293.411 1.399 20 30 CDEDLO CC[C@@H]1COC(C)(C)C[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000593056804 342760089 /nfs/dbraw/zinc/76/00/89/342760089.db2.gz ALNZKGXTANVFCS-GFCCVEGCSA-N 1 2 279.384 1.438 20 30 CDEDLO CC[C@@H]1COC(C)(C)C[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000593056804 342760090 /nfs/dbraw/zinc/76/00/90/342760090.db2.gz ALNZKGXTANVFCS-GFCCVEGCSA-N 1 2 279.384 1.438 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)CO1 ZINC000593065202 342761837 /nfs/dbraw/zinc/76/18/37/342761837.db2.gz ZGTARGVAAXSTAL-NFAWXSAZSA-N 1 2 281.400 1.540 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)CO1 ZINC000593065202 342761838 /nfs/dbraw/zinc/76/18/38/342761838.db2.gz ZGTARGVAAXSTAL-NFAWXSAZSA-N 1 2 281.400 1.540 20 30 CDEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)[C@H]1C ZINC000329706205 361881149 /nfs/dbraw/zinc/88/11/49/361881149.db2.gz JTWXTUQBGDSWRS-OUAUKWLOSA-N 1 2 262.357 1.911 20 30 CDEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@H]1C ZINC000329706205 361881154 /nfs/dbraw/zinc/88/11/54/361881154.db2.gz JTWXTUQBGDSWRS-OUAUKWLOSA-N 1 2 262.357 1.911 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CCCCS1 ZINC000593154855 342774206 /nfs/dbraw/zinc/77/42/06/342774206.db2.gz LTXFDHGMNUIZEF-PWSUYJOCSA-N 1 2 255.387 1.232 20 30 CDEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(C)s1 ZINC000593155720 342774527 /nfs/dbraw/zinc/77/45/27/342774527.db2.gz WVNDEJVDMZLTMD-CYBMUJFWSA-N 1 2 265.382 1.939 20 30 CDEDLO CC[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000593393469 342794381 /nfs/dbraw/zinc/79/43/81/342794381.db2.gz CISXNOGEPJMOAY-LBPRGKRZSA-N 1 2 261.325 1.474 20 30 CDEDLO CC[C@@H](C#N)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000593538793 342810203 /nfs/dbraw/zinc/81/02/03/342810203.db2.gz PIPLGMGUMVXUEL-LBPRGKRZSA-N 1 2 288.351 1.715 20 30 CDEDLO N#Cc1cccc2c1C[N@H+](C[C@H]1CNc3ccnn3C1)C2 ZINC000593695568 342824452 /nfs/dbraw/zinc/82/44/52/342824452.db2.gz BSUXMYSECFXLOP-GFCCVEGCSA-N 1 2 279.347 1.812 20 30 CDEDLO N#Cc1cccc2c1C[N@@H+](C[C@H]1CNc3ccnn3C1)C2 ZINC000593695568 342824453 /nfs/dbraw/zinc/82/44/53/342824453.db2.gz BSUXMYSECFXLOP-GFCCVEGCSA-N 1 2 279.347 1.812 20 30 CDEDLO Cc1cc(NCC[C@]2(O)CCCOC2)c(C#N)c[nH+]1 ZINC000593517750 342805900 /nfs/dbraw/zinc/80/59/00/342805900.db2.gz FEBRVKXFFXFMBE-CQSZACIVSA-N 1 2 261.325 1.027 20 30 CDEDLO C=CCOCCCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000081799456 342216063 /nfs/dbraw/zinc/21/60/63/342216063.db2.gz YANVDXDFNQGDAM-ZDUSSCGKSA-N 1 2 265.357 1.618 20 30 CDEDLO Cc1[nH]nc(NC(=O)CCCn2cc[nH+]c2)c1C#N ZINC000588714703 342219757 /nfs/dbraw/zinc/21/97/57/342219757.db2.gz PHDHXJPVOUXEMQ-UHFFFAOYSA-N 1 2 258.285 1.205 20 30 CDEDLO N#Cc1cccc(C[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)c1 ZINC000594510487 342912500 /nfs/dbraw/zinc/91/25/00/342912500.db2.gz MHTKFPIXSUUIJJ-CYBMUJFWSA-N 1 2 283.335 1.818 20 30 CDEDLO C=CCC1(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCOCC1 ZINC000618248419 342264312 /nfs/dbraw/zinc/26/43/12/342264312.db2.gz GYTYJAYCOVCRGZ-CYBMUJFWSA-N 1 2 289.379 1.687 20 30 CDEDLO C=CCC1(NC(=O)CCc2c[nH+]c[nH]2)CCOCC1 ZINC000618249429 342266033 /nfs/dbraw/zinc/26/60/33/342266033.db2.gz SUGYUJVWWDIGSB-UHFFFAOYSA-N 1 2 263.341 1.584 20 30 CDEDLO C=CCC1(NC(=O)CCc2c[nH]c[nH+]2)CCOCC1 ZINC000618249429 342266034 /nfs/dbraw/zinc/26/60/34/342266034.db2.gz SUGYUJVWWDIGSB-UHFFFAOYSA-N 1 2 263.341 1.584 20 30 CDEDLO C=CCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCOCC1 ZINC000618251950 342268352 /nfs/dbraw/zinc/26/83/52/342268352.db2.gz VDTBFQGWXIBVJC-CHWSQXEVSA-N 1 2 289.379 1.765 20 30 CDEDLO N#CCCCn1cc(C[NH+]2CCSCC2)nn1 ZINC000594650268 342932110 /nfs/dbraw/zinc/93/21/10/342932110.db2.gz RSTVXSVZNKNMPU-UHFFFAOYSA-N 1 2 251.359 1.131 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H](CC#N)C1 ZINC000594685242 342941219 /nfs/dbraw/zinc/94/12/19/342941219.db2.gz GINQPJJIZYPFHI-STQMWFEESA-N 1 2 275.356 1.607 20 30 CDEDLO N#Cc1sccc1N1CC[NH+](Cc2ccc(N)nc2)CC1 ZINC000594734532 342950071 /nfs/dbraw/zinc/95/00/71/342950071.db2.gz AMECISSMEOFIJL-UHFFFAOYSA-N 1 2 299.403 1.750 20 30 CDEDLO CC[C@H](CC#N)NC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000595008201 342989814 /nfs/dbraw/zinc/98/98/14/342989814.db2.gz SITOFAMTLWXQGC-LLVKDONJSA-N 1 2 299.334 1.390 20 30 CDEDLO Cc1cn2ccc(NC(=O)C(=O)NCCCC#N)cc2[nH+]1 ZINC000594997416 342994856 /nfs/dbraw/zinc/99/48/56/342994856.db2.gz LAUUJXCDGCZQIB-UHFFFAOYSA-N 1 2 285.307 1.001 20 30 CDEDLO C=C(C)C[N@@H+](C)Cc1[nH]nc(C)c1C(=O)OCC ZINC000595421271 343055583 /nfs/dbraw/zinc/05/55/83/343055583.db2.gz CUNMISIWRMJQEQ-UHFFFAOYSA-N 1 2 251.330 1.903 20 30 CDEDLO C=C(C)C[N@H+](C)Cc1[nH]nc(C)c1C(=O)OCC ZINC000595421271 343055584 /nfs/dbraw/zinc/05/55/84/343055584.db2.gz CUNMISIWRMJQEQ-UHFFFAOYSA-N 1 2 251.330 1.903 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC000595436813 343060639 /nfs/dbraw/zinc/06/06/39/343060639.db2.gz CHBFHSKOSDEAMI-ZDUSSCGKSA-N 1 2 296.378 1.555 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000595436813 343060641 /nfs/dbraw/zinc/06/06/41/343060641.db2.gz CHBFHSKOSDEAMI-ZDUSSCGKSA-N 1 2 296.378 1.555 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595558890 343097224 /nfs/dbraw/zinc/09/72/24/343097224.db2.gz RFSCKCGLDJHXJE-CYBMUJFWSA-N 1 2 279.271 1.584 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595558890 343097226 /nfs/dbraw/zinc/09/72/26/343097226.db2.gz RFSCKCGLDJHXJE-CYBMUJFWSA-N 1 2 279.271 1.584 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](Cc2nnnn2Cc2ccccc2)C1 ZINC000595609159 343108400 /nfs/dbraw/zinc/10/84/00/343108400.db2.gz HCUTZPUJLLJMGU-OAHLLOKOSA-N 1 2 296.378 1.847 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](Cc2nnnn2Cc2ccccc2)C1 ZINC000595609159 343108401 /nfs/dbraw/zinc/10/84/01/343108401.db2.gz HCUTZPUJLLJMGU-OAHLLOKOSA-N 1 2 296.378 1.847 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)NCc2ccco2)C1 ZINC000595609943 343108484 /nfs/dbraw/zinc/10/84/84/343108484.db2.gz QNHDUZVDRFUZKB-LBPRGKRZSA-N 1 2 261.325 1.521 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)NCc2ccco2)C1 ZINC000595609943 343108487 /nfs/dbraw/zinc/10/84/87/343108487.db2.gz QNHDUZVDRFUZKB-LBPRGKRZSA-N 1 2 261.325 1.521 20 30 CDEDLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)n(C)n1 ZINC000595611159 343108913 /nfs/dbraw/zinc/10/89/13/343108913.db2.gz HSHZCHODZYSNEW-LBPRGKRZSA-N 1 2 275.356 1.293 20 30 CDEDLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)n(C)n1 ZINC000595611159 343108916 /nfs/dbraw/zinc/10/89/16/343108916.db2.gz HSHZCHODZYSNEW-LBPRGKRZSA-N 1 2 275.356 1.293 20 30 CDEDLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)on1 ZINC000595612343 343109229 /nfs/dbraw/zinc/10/92/29/343109229.db2.gz UPJMDMGNXFDSPZ-RYUDHWBXSA-N 1 2 276.340 1.936 20 30 CDEDLO Cc1cc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC#N)C2)on1 ZINC000595612343 343109230 /nfs/dbraw/zinc/10/92/30/343109230.db2.gz UPJMDMGNXFDSPZ-RYUDHWBXSA-N 1 2 276.340 1.936 20 30 CDEDLO CN(C(=O)C[N@@H+]1CCC[C@H](CC#N)C1)c1nccs1 ZINC000595613632 343109346 /nfs/dbraw/zinc/10/93/46/343109346.db2.gz GAYUHIOLACNGQD-LLVKDONJSA-N 1 2 278.381 1.732 20 30 CDEDLO CN(C(=O)C[N@H+]1CCC[C@H](CC#N)C1)c1nccs1 ZINC000595613632 343109347 /nfs/dbraw/zinc/10/93/47/343109347.db2.gz GAYUHIOLACNGQD-LLVKDONJSA-N 1 2 278.381 1.732 20 30 CDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1[nH+]ccn1C ZINC000078477292 342337485 /nfs/dbraw/zinc/33/74/85/342337485.db2.gz RXPZNGUYKRRSNY-GFCCVEGCSA-N 1 2 298.346 1.718 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000246006819 342353999 /nfs/dbraw/zinc/35/39/99/342353999.db2.gz JVPUKNRKRJZFOL-WDEREUQCSA-N 1 2 296.333 1.655 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000246006819 342354000 /nfs/dbraw/zinc/35/40/00/342354000.db2.gz JVPUKNRKRJZFOL-WDEREUQCSA-N 1 2 296.333 1.655 20 30 CDEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)NCCc1ccccc1 ZINC000081513832 342371353 /nfs/dbraw/zinc/37/13/53/342371353.db2.gz OHRKMLOPKVMSTI-AWEZNQCLSA-N 1 2 273.380 1.969 20 30 CDEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)NCCc1ccccc1 ZINC000081513832 342371354 /nfs/dbraw/zinc/37/13/54/342371354.db2.gz OHRKMLOPKVMSTI-AWEZNQCLSA-N 1 2 273.380 1.969 20 30 CDEDLO Cn1ncc(C#N)c1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000596171515 343259453 /nfs/dbraw/zinc/25/94/53/343259453.db2.gz DOBJZSFEVPJNAS-GFCCVEGCSA-N 1 2 268.324 1.378 20 30 CDEDLO Cc1cc(NC[C@@H](CO)Cc2cccnc2)c(C#N)c[nH+]1 ZINC000596265457 343279695 /nfs/dbraw/zinc/27/96/95/343279695.db2.gz MNPXTWDYDMDIEH-AWEZNQCLSA-N 1 2 282.347 1.342 20 30 CDEDLO CO[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330169181 362168203 /nfs/dbraw/zinc/16/82/03/362168203.db2.gz BHOFNAOVYUOCSF-VXGBXAGGSA-N 1 2 278.356 1.223 20 30 CDEDLO N#Cc1ccc(NCc2ccc[nH+]c2N2CCCC2)nc1N ZINC000596357987 343309785 /nfs/dbraw/zinc/30/97/85/343309785.db2.gz WVJMAJNXIHRAKM-UHFFFAOYSA-N 1 2 294.362 1.565 20 30 CDEDLO CC[C@H](C#N)C(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000597847211 343652517 /nfs/dbraw/zinc/65/25/17/343652517.db2.gz ORUOUXKKRXKYLF-MNOVXSKESA-N 1 2 278.356 1.146 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CC(C)(C)C#N)C(C)(C)CO ZINC000597847166 343652666 /nfs/dbraw/zinc/65/26/66/343652666.db2.gz ODNZGUMCIKGGIV-GFCCVEGCSA-N 1 2 292.383 1.536 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)c2cc(C#N)cs2)[C@@H](C)CO1 ZINC000597994107 343683768 /nfs/dbraw/zinc/68/37/68/343683768.db2.gz APLATXOIHNWIPY-QWRGUYRKSA-N 1 2 293.392 1.459 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)c2cc(C#N)cs2)[C@@H](C)CO1 ZINC000597994107 343683770 /nfs/dbraw/zinc/68/37/70/343683770.db2.gz APLATXOIHNWIPY-QWRGUYRKSA-N 1 2 293.392 1.459 20 30 CDEDLO C=C[C@@H](C(=O)OC)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000619717269 349867615 /nfs/dbraw/zinc/86/76/15/349867615.db2.gz RRKIQVORTYEQEU-VIFPVBQESA-N 1 2 291.273 1.605 20 30 CDEDLO C[C@H](NC(=O)Cc1ccc(C#N)cc1)c1[nH+]ccn1C ZINC000598459510 343804967 /nfs/dbraw/zinc/80/49/67/343804967.db2.gz HHBCBVBMFKXZFK-NSHDSACASA-N 1 2 268.320 1.712 20 30 CDEDLO CC(C)CN1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)[C@H](C)C1=O ZINC000598607610 343852753 /nfs/dbraw/zinc/85/27/53/343852753.db2.gz RNVQAYHSFOXOMZ-KGLIPLIRSA-N 1 2 295.427 1.476 20 30 CDEDLO CC(C)CN1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@H](C)C1=O ZINC000598607610 343852754 /nfs/dbraw/zinc/85/27/54/343852754.db2.gz RNVQAYHSFOXOMZ-KGLIPLIRSA-N 1 2 295.427 1.476 20 30 CDEDLO N#C[C@]1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CC12CCCC2 ZINC000598950100 343933399 /nfs/dbraw/zinc/93/33/99/343933399.db2.gz OVTYIWMIVYZBCY-LRDDRELGSA-N 1 2 284.363 1.788 20 30 CDEDLO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000411912295 362314411 /nfs/dbraw/zinc/31/44/11/362314411.db2.gz PIXNRVGKWGBOCX-KBPBESRZSA-N 1 2 280.755 1.793 20 30 CDEDLO COC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000411912295 362314417 /nfs/dbraw/zinc/31/44/17/362314417.db2.gz PIXNRVGKWGBOCX-KBPBESRZSA-N 1 2 280.755 1.793 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000601531210 344190173 /nfs/dbraw/zinc/19/01/73/344190173.db2.gz MPJONPNOGGHDSR-UHFFFAOYSA-N 1 2 296.396 1.645 20 30 CDEDLO C[C@H](C#N)C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000602607941 344491998 /nfs/dbraw/zinc/49/19/98/344491998.db2.gz NOZJOOWJLQNDRM-MRVPVSSYSA-N 1 2 287.772 1.237 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(=O)OC ZINC000602642810 344512384 /nfs/dbraw/zinc/51/23/84/344512384.db2.gz AAQCNZAHSGIUIU-CRWXNKLISA-N 1 2 295.379 1.278 20 30 CDEDLO N#CCCN1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000602748226 344562297 /nfs/dbraw/zinc/56/22/97/344562297.db2.gz LWIUEIYCWKIFJP-UHFFFAOYSA-N 1 2 299.422 1.713 20 30 CDEDLO CC[N@H+](CC1(CC#N)CC1)[C@@H](C)CS(C)(=O)=O ZINC000602782809 344597771 /nfs/dbraw/zinc/59/77/71/344597771.db2.gz AKPHVZGDCJZOEY-NSHDSACASA-N 1 2 258.387 1.435 20 30 CDEDLO CC[N@@H+](CC1(CC#N)CC1)[C@@H](C)CS(C)(=O)=O ZINC000602782809 344597774 /nfs/dbraw/zinc/59/77/74/344597774.db2.gz AKPHVZGDCJZOEY-NSHDSACASA-N 1 2 258.387 1.435 20 30 CDEDLO Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)CC#N)cc1 ZINC000602861690 344617453 /nfs/dbraw/zinc/61/74/53/344617453.db2.gz HKPXVDLVVZKXPR-STQMWFEESA-N 1 2 259.353 1.892 20 30 CDEDLO CNC(=O)c1cc(O[C@@H]2CCC[N@H+](CCC#N)C2)ccn1 ZINC000602864279 344637550 /nfs/dbraw/zinc/63/75/50/344637550.db2.gz QHYDOEQACZUHMJ-CYBMUJFWSA-N 1 2 288.351 1.198 20 30 CDEDLO CNC(=O)c1cc(O[C@@H]2CCC[N@@H+](CCC#N)C2)ccn1 ZINC000602864279 344637552 /nfs/dbraw/zinc/63/75/52/344637552.db2.gz QHYDOEQACZUHMJ-CYBMUJFWSA-N 1 2 288.351 1.198 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H]1CCN(c2sccc2C#N)C1=O ZINC000602870843 344641070 /nfs/dbraw/zinc/64/10/70/344641070.db2.gz XTBDECPXKJZENZ-MWLCHTKSSA-N 1 2 274.349 1.617 20 30 CDEDLO Cc1cccn2c(=O)cc(C[NH2+][C@@H](C)CC#N)nc12 ZINC000602870723 344641179 /nfs/dbraw/zinc/64/11/79/344641179.db2.gz WAQIJYDODHTPLZ-NSHDSACASA-N 1 2 256.309 1.395 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000602870378 344641260 /nfs/dbraw/zinc/64/12/60/344641260.db2.gz STECCGKSTKQBLC-MNOVXSKESA-N 1 2 286.335 1.252 20 30 CDEDLO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164418 347067178 /nfs/dbraw/zinc/06/71/78/347067178.db2.gz BYOQITPECRSEDS-ABAIWWIYSA-N 1 2 294.399 1.625 20 30 CDEDLO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164418 347067182 /nfs/dbraw/zinc/06/71/82/347067182.db2.gz BYOQITPECRSEDS-ABAIWWIYSA-N 1 2 294.399 1.625 20 30 CDEDLO CN(CCO)c1ccc(NCc2cccc(C#N)c2)[nH+]c1 ZINC000305109220 349918186 /nfs/dbraw/zinc/91/81/86/349918186.db2.gz GKDCAPZCUHPBAR-UHFFFAOYSA-N 1 2 282.347 1.994 20 30 CDEDLO C[C@H]1OCC[C@]12C[N@H+](CC1(C#N)CC1)C[C@@H](C)O2 ZINC000447831289 362525653 /nfs/dbraw/zinc/52/56/53/362525653.db2.gz KWJGVZORYBVZML-BZPMIXESSA-N 1 2 250.342 1.558 20 30 CDEDLO C[C@H]1OCC[C@]12C[N@@H+](CC1(C#N)CC1)C[C@@H](C)O2 ZINC000447831289 362525661 /nfs/dbraw/zinc/52/56/61/362525661.db2.gz KWJGVZORYBVZML-BZPMIXESSA-N 1 2 250.342 1.558 20 30 CDEDLO C#CCN(CC)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000056357996 345165675 /nfs/dbraw/zinc/16/56/75/345165675.db2.gz ULRJWNZFAHVFID-UHFFFAOYSA-N 1 2 298.302 1.876 20 30 CDEDLO CCCCNC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609539148 345595920 /nfs/dbraw/zinc/59/59/20/345595920.db2.gz UNMIPGZNBAMCQQ-GJZGRUSLSA-N 1 2 294.443 1.457 20 30 CDEDLO C[C@@H](C#N)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000610257865 346232474 /nfs/dbraw/zinc/23/24/74/346232474.db2.gz DDJCMMNEQVXHLJ-GXTWGEPZSA-N 1 2 272.352 1.322 20 30 CDEDLO C[C@@H](C#N)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000610257865 346232476 /nfs/dbraw/zinc/23/24/76/346232476.db2.gz DDJCMMNEQVXHLJ-GXTWGEPZSA-N 1 2 272.352 1.322 20 30 CDEDLO N#Cc1ccnc(N2CCC[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000610754848 346393234 /nfs/dbraw/zinc/39/32/34/346393234.db2.gz ZIIJTFWPSUKJNT-GFCCVEGCSA-N 1 2 298.306 1.899 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(-c2cccnc2)on1 ZINC000584755702 346424450 /nfs/dbraw/zinc/42/44/50/346424450.db2.gz XUZWFQIHCWPONB-OAHLLOKOSA-N 1 2 299.334 1.310 20 30 CDEDLO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000052669449 346472247 /nfs/dbraw/zinc/47/22/47/346472247.db2.gz NYCLEZJDRUKIIB-CQSZACIVSA-N 1 2 293.392 1.072 20 30 CDEDLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000052669449 346472252 /nfs/dbraw/zinc/47/22/52/346472252.db2.gz NYCLEZJDRUKIIB-CQSZACIVSA-N 1 2 293.392 1.072 20 30 CDEDLO N#Cc1ccc(C(=O)NCCCCn2cc[nH+]c2)[nH]1 ZINC000611032064 346585956 /nfs/dbraw/zinc/58/59/56/346585956.db2.gz OQTFZGXRSCAMAP-UHFFFAOYSA-N 1 2 257.297 1.293 20 30 CDEDLO N#CCCN1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000611174601 346627770 /nfs/dbraw/zinc/62/77/70/346627770.db2.gz MVISGBQKRJURRH-UHFFFAOYSA-N 1 2 274.324 1.626 20 30 CDEDLO Cc1ccc2[nH+]c(CN3CCN(CCC#N)CC3)cn2c1 ZINC000611174169 346628121 /nfs/dbraw/zinc/62/81/21/346628121.db2.gz FDJYEYMPDUPQEV-UHFFFAOYSA-N 1 2 283.379 1.674 20 30 CDEDLO N#Cc1cc(C[NH+]2CCN(c3ncccc3F)CC2)ccn1 ZINC000611186306 346634270 /nfs/dbraw/zinc/63/42/70/346634270.db2.gz YWHNJDVFNCPSRH-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO N#Cc1ccncc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611281059 346734775 /nfs/dbraw/zinc/73/47/75/346734775.db2.gz CTOSBOZHAYDGBI-ZDUSSCGKSA-N 1 2 253.309 1.991 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CCC(C)(C)C#N)CCO1 ZINC000611462528 346792697 /nfs/dbraw/zinc/79/26/97/346792697.db2.gz HYYGGLZUHXPQLO-LBPRGKRZSA-N 1 2 282.384 1.969 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCC(C)(C)C#N)CCO1 ZINC000611462528 346792699 /nfs/dbraw/zinc/79/26/99/346792699.db2.gz HYYGGLZUHXPQLO-LBPRGKRZSA-N 1 2 282.384 1.969 20 30 CDEDLO CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)c1cccc(C#N)c1 ZINC000614307717 348068360 /nfs/dbraw/zinc/06/83/60/348068360.db2.gz BUOOWDPSIYNSQO-CYBMUJFWSA-N 1 2 280.331 1.980 20 30 CDEDLO Cc1c(Cl)cnc(NC[C@@H]2C[N@H+](C)CCO2)c1C#N ZINC000273324683 192113102 /nfs/dbraw/zinc/11/31/02/192113102.db2.gz LAPRJUACIXZSGI-SNVBAGLBSA-N 1 2 280.759 1.658 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000619718334 348188133 /nfs/dbraw/zinc/18/81/33/348188133.db2.gz JRSVTMXRXCRJHD-AAEUAGOBSA-N 1 2 263.341 1.012 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000619718334 348188136 /nfs/dbraw/zinc/18/81/36/348188136.db2.gz JRSVTMXRXCRJHD-AAEUAGOBSA-N 1 2 263.341 1.012 20 30 CDEDLO Cc1c(Cl)cnc(NC[C@@H]2C[N@@H+](C)CCO2)c1C#N ZINC000273324683 192113105 /nfs/dbraw/zinc/11/31/05/192113105.db2.gz LAPRJUACIXZSGI-SNVBAGLBSA-N 1 2 280.759 1.658 20 30 CDEDLO Cc1cc(C#N)cc(C)c1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414119288 362925985 /nfs/dbraw/zinc/92/59/85/362925985.db2.gz CTAQQHBBBPRSAJ-HNNXBMFYSA-N 1 2 287.363 1.760 20 30 CDEDLO Cc1cc(C#N)cc(C)c1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414119288 362925987 /nfs/dbraw/zinc/92/59/87/362925987.db2.gz CTAQQHBBBPRSAJ-HNNXBMFYSA-N 1 2 287.363 1.760 20 30 CDEDLO CC(C)(C#N)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000042092183 348717496 /nfs/dbraw/zinc/71/74/96/348717496.db2.gz AVVSBAPDYPQZHI-UHFFFAOYSA-N 1 2 288.351 1.084 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCC(=O)NC2CCCC2)cc1 ZINC000047538498 348811843 /nfs/dbraw/zinc/81/18/43/348811843.db2.gz QFNKZCSWNBWOFR-UHFFFAOYSA-N 1 2 291.351 1.391 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000047028159 348804855 /nfs/dbraw/zinc/80/48/55/348804855.db2.gz CIVOAXUFWATZPY-CYBMUJFWSA-N 1 2 297.362 1.985 20 30 CDEDLO C=CC[N@H+](CC(=O)N1CCOCC1)Cc1cccc(C#N)c1 ZINC000063300385 348922124 /nfs/dbraw/zinc/92/21/24/348922124.db2.gz HBZKPZRQIRKRQL-UHFFFAOYSA-N 1 2 299.374 1.405 20 30 CDEDLO C=CC[N@@H+](CC(=O)N1CCOCC1)Cc1cccc(C#N)c1 ZINC000063300385 348922130 /nfs/dbraw/zinc/92/21/30/348922130.db2.gz HBZKPZRQIRKRQL-UHFFFAOYSA-N 1 2 299.374 1.405 20 30 CDEDLO NC(=[NH+]OCC(=O)N1CCCCC1)c1ccc(F)c(F)c1 ZINC000065205627 348953227 /nfs/dbraw/zinc/95/32/27/348953227.db2.gz SXYIIYRVSBYZKY-UHFFFAOYSA-N 1 2 297.305 1.614 20 30 CDEDLO Cc1cccc2[nH+]c(CNC(=O)N(C)C[C@H](C)C#N)cn21 ZINC000069480238 349102270 /nfs/dbraw/zinc/10/22/70/349102270.db2.gz ZNGOIWPUDNOBMG-LLVKDONJSA-N 1 2 285.351 1.944 20 30 CDEDLO CC[N@@H+](Cc1cccc(C#N)n1)C[C@@H](O)C(F)(F)F ZINC000602623458 350133237 /nfs/dbraw/zinc/13/32/37/350133237.db2.gz PLTUZNFZEKOFEY-LLVKDONJSA-N 1 2 273.258 1.698 20 30 CDEDLO CC[N@H+](Cc1cccc(C#N)n1)C[C@@H](O)C(F)(F)F ZINC000602623458 350133240 /nfs/dbraw/zinc/13/32/40/350133240.db2.gz PLTUZNFZEKOFEY-LLVKDONJSA-N 1 2 273.258 1.698 20 30 CDEDLO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2C#N)[C@@H](C)C(=O)N1C ZINC000602849074 350155328 /nfs/dbraw/zinc/15/53/28/350155328.db2.gz PHPQCRGDGSNREV-AGIUHOORSA-N 1 2 271.364 1.998 20 30 CDEDLO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2C#N)[C@@H](C)C(=O)N1C ZINC000602849074 350155329 /nfs/dbraw/zinc/15/53/29/350155329.db2.gz PHPQCRGDGSNREV-AGIUHOORSA-N 1 2 271.364 1.998 20 30 CDEDLO C=CCCCN(C)c1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC000621269316 350515449 /nfs/dbraw/zinc/51/54/49/350515449.db2.gz QHJOABCICODJFK-UHFFFAOYSA-N 1 2 259.313 1.459 20 30 CDEDLO C[C@H](O)C1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000111289100 186391189 /nfs/dbraw/zinc/39/11/89/186391189.db2.gz JPCIQUDCENITMI-JTQLQIEISA-N 1 2 293.392 1.651 20 30 CDEDLO CC(C)CNC(=O)NC(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000109813083 358474606 /nfs/dbraw/zinc/47/46/06/358474606.db2.gz CWYXBQHUVQYDJT-UHFFFAOYSA-N 1 2 296.415 1.730 20 30 CDEDLO CC(C)CNC(=O)NC(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000109813083 358474609 /nfs/dbraw/zinc/47/46/09/358474609.db2.gz CWYXBQHUVQYDJT-UHFFFAOYSA-N 1 2 296.415 1.730 20 30 CDEDLO COCC[N@H+](CC#Cc1ccc(F)cc1)CC(=O)N(C)C ZINC000156181735 188247557 /nfs/dbraw/zinc/24/75/57/188247557.db2.gz INIFPMFLYCZAJN-UHFFFAOYSA-N 1 2 292.354 1.214 20 30 CDEDLO COCC[N@@H+](CC#Cc1ccc(F)cc1)CC(=O)N(C)C ZINC000156181735 188247558 /nfs/dbraw/zinc/24/75/58/188247558.db2.gz INIFPMFLYCZAJN-UHFFFAOYSA-N 1 2 292.354 1.214 20 30 CDEDLO Cc1ccnc(NCC(C)(C)[NH+]2CCOCC2)c1C#N ZINC000272971026 192002744 /nfs/dbraw/zinc/00/27/44/192002744.db2.gz BQYDSAWARIFWPN-UHFFFAOYSA-N 1 2 274.368 1.784 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)[nH]1 ZINC000336443994 356174399 /nfs/dbraw/zinc/17/43/99/356174399.db2.gz ZACXKXBTRUXVQJ-NSHDSACASA-N 1 2 255.281 1.587 20 30 CDEDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1cc(C#N)cs1 ZINC000336348446 356148211 /nfs/dbraw/zinc/14/82/11/356148211.db2.gz DWVHCVAYKYRBQF-BMLIUANNSA-N 1 2 268.407 1.963 20 30 CDEDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1cc(C#N)cs1 ZINC000336348446 356148214 /nfs/dbraw/zinc/14/82/14/356148214.db2.gz DWVHCVAYKYRBQF-BMLIUANNSA-N 1 2 268.407 1.963 20 30 CDEDLO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000336348514 356148620 /nfs/dbraw/zinc/14/86/20/356148620.db2.gz XKQZENLTERDBNF-VOJFVSQTSA-N 1 2 265.382 1.240 20 30 CDEDLO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000336348514 356148621 /nfs/dbraw/zinc/14/86/21/356148621.db2.gz XKQZENLTERDBNF-VOJFVSQTSA-N 1 2 265.382 1.240 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N(CCC#N)CCC#N)ccn12 ZINC000584002722 356423489 /nfs/dbraw/zinc/42/34/89/356423489.db2.gz JLPVUANXQAQWHY-UHFFFAOYSA-N 1 2 281.319 1.912 20 30 CDEDLO O=[N+]([O-])c1ccc(O)c(/C=N/CC[N@@H+]2CCCOCC2)c1 ZINC000187742005 357801019 /nfs/dbraw/zinc/80/10/19/357801019.db2.gz ITLYILSVGHABHD-RVDMUPIBSA-N 1 2 293.323 1.442 20 30 CDEDLO O=[N+]([O-])c1ccc(O)c(/C=N/CC[N@H+]2CCCOCC2)c1 ZINC000187742005 357801022 /nfs/dbraw/zinc/80/10/22/357801022.db2.gz ITLYILSVGHABHD-RVDMUPIBSA-N 1 2 293.323 1.442 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000566467500 357790343 /nfs/dbraw/zinc/79/03/43/357790343.db2.gz WCJKDFXNIGHQKL-SNVBAGLBSA-N 1 2 286.310 1.915 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000566467500 357790348 /nfs/dbraw/zinc/79/03/48/357790348.db2.gz WCJKDFXNIGHQKL-SNVBAGLBSA-N 1 2 286.310 1.915 20 30 CDEDLO N#Cc1cncnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000380410168 358055844 /nfs/dbraw/zinc/05/58/44/358055844.db2.gz TZQPGKBRSIGCFS-UHFFFAOYSA-N 1 2 266.308 1.070 20 30 CDEDLO N#Cc1ccc(OCC[N@@H+]2CCOC[C@]23CCOC3)cc1 ZINC000193665216 358314163 /nfs/dbraw/zinc/31/41/63/358314163.db2.gz DQHXWLFDGRFQLC-MRXNPFEDSA-N 1 2 288.347 1.428 20 30 CDEDLO N#Cc1ccc(OCC[N@H+]2CCOC[C@]23CCOC3)cc1 ZINC000193665216 358314164 /nfs/dbraw/zinc/31/41/64/358314164.db2.gz DQHXWLFDGRFQLC-MRXNPFEDSA-N 1 2 288.347 1.428 20 30 CDEDLO N#Cc1cccc(OCC[N@@H+]2CCOC[C@]23CCOC3)c1 ZINC000193699335 358317290 /nfs/dbraw/zinc/31/72/90/358317290.db2.gz JRBXROFFSVGNEC-MRXNPFEDSA-N 1 2 288.347 1.428 20 30 CDEDLO N#Cc1cccc(OCC[N@H+]2CCOC[C@]23CCOC3)c1 ZINC000193699335 358317295 /nfs/dbraw/zinc/31/72/95/358317295.db2.gz JRBXROFFSVGNEC-MRXNPFEDSA-N 1 2 288.347 1.428 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000294805073 199191044 /nfs/dbraw/zinc/19/10/44/199191044.db2.gz UQHYRYQIRKIACE-RYUDHWBXSA-N 1 2 261.325 1.502 20 30 CDEDLO C[C@@H](c1nncn1C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000287332892 358400547 /nfs/dbraw/zinc/40/05/47/358400547.db2.gz ODUAEHQWKSOXIK-NSHDSACASA-N 1 2 255.325 1.880 20 30 CDEDLO C[C@@H](c1nncn1C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000287332892 358400552 /nfs/dbraw/zinc/40/05/52/358400552.db2.gz ODUAEHQWKSOXIK-NSHDSACASA-N 1 2 255.325 1.880 20 30 CDEDLO N#Cc1ccnc(N2CC[NH+](Cc3cccc(O)c3)CC2)n1 ZINC000295587870 358526136 /nfs/dbraw/zinc/52/61/36/358526136.db2.gz SPFWAJARUUEVSY-UHFFFAOYSA-N 1 2 295.346 1.376 20 30 CDEDLO N#Cc1ncccc1NCC1([NH+]2CCOCC2)CC1 ZINC000290987785 358801362 /nfs/dbraw/zinc/80/13/62/358801362.db2.gz STDUZQIGNRCEPC-UHFFFAOYSA-N 1 2 258.325 1.230 20 30 CDEDLO C[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290378308 366477962 /nfs/dbraw/zinc/47/79/62/366477962.db2.gz RRIHTIDZNGYDRV-GFCCVEGCSA-N 1 2 293.392 1.601 20 30 CDEDLO C[C@@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290378308 366477971 /nfs/dbraw/zinc/47/79/71/366477971.db2.gz RRIHTIDZNGYDRV-GFCCVEGCSA-N 1 2 293.392 1.601 20 30 CDEDLO C=CCOCC[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000645447551 359007193 /nfs/dbraw/zinc/00/71/93/359007193.db2.gz DSKOZKIBHXHIBT-ZDUSSCGKSA-N 1 2 276.315 1.825 20 30 CDEDLO C=CCOCC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000645447590 359014194 /nfs/dbraw/zinc/01/41/94/359014194.db2.gz KJFCZCZXUAREJO-NSHDSACASA-N 1 2 264.354 1.748 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)n1C)C1CC1 ZINC000451684270 359071096 /nfs/dbraw/zinc/07/10/96/359071096.db2.gz UXFPFTGBPOMXRP-ZDUSSCGKSA-N 1 2 283.335 1.511 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)c1cc(C)n(CCOC)c1C ZINC000267958051 359355820 /nfs/dbraw/zinc/35/58/20/359355820.db2.gz SAOSLWGZDRZSFN-UHFFFAOYSA-N 1 2 276.380 1.889 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)c1cc(C)n(CCOC)c1C ZINC000267958051 359355823 /nfs/dbraw/zinc/35/58/23/359355823.db2.gz SAOSLWGZDRZSFN-UHFFFAOYSA-N 1 2 276.380 1.889 20 30 CDEDLO Cc1nc(C(=O)NCCNc2cccc[nH+]2)ccc1C#N ZINC000357722701 359373385 /nfs/dbraw/zinc/37/33/85/359373385.db2.gz LHKKSGVZFSAANW-UHFFFAOYSA-N 1 2 281.319 1.499 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N(CC)CC)n1 ZINC000279777251 359593702 /nfs/dbraw/zinc/59/37/02/359593702.db2.gz UAFIXFZWHMFRKP-CQSZACIVSA-N 1 2 290.411 1.595 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N(CC)CC)n1 ZINC000279777251 359593705 /nfs/dbraw/zinc/59/37/05/359593705.db2.gz UAFIXFZWHMFRKP-CQSZACIVSA-N 1 2 290.411 1.595 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(C(N)=O)cc2)n1 ZINC000279786678 359594333 /nfs/dbraw/zinc/59/43/33/359594333.db2.gz VAOQWSQXFOOESY-UHFFFAOYSA-N 1 2 296.374 1.637 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(C(N)=O)cc2)n1 ZINC000279786678 359594339 /nfs/dbraw/zinc/59/43/39/359594339.db2.gz VAOQWSQXFOOESY-UHFFFAOYSA-N 1 2 296.374 1.637 20 30 CDEDLO CC1(C)C[S@@](=O)CC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000331019266 359737283 /nfs/dbraw/zinc/73/72/83/359737283.db2.gz QUWMPHPOMBQYTL-FQEVSTJZSA-N 1 2 292.404 1.780 20 30 CDEDLO CC1(C)C[S@@](=O)CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000331019266 359737288 /nfs/dbraw/zinc/73/72/88/359737288.db2.gz QUWMPHPOMBQYTL-FQEVSTJZSA-N 1 2 292.404 1.780 20 30 CDEDLO COC(=O)[C@]1([NH2+]CCCC2(C#N)CCOCC2)CCOC1 ZINC000337183146 360028302 /nfs/dbraw/zinc/02/83/02/360028302.db2.gz NMGGJZMBECAUBT-HNNXBMFYSA-N 1 2 296.367 1.009 20 30 CDEDLO C=CCN1CC[C@@H]([NH+]2CCN(Cc3ccccc3)CC2)C1=O ZINC000337130908 359997097 /nfs/dbraw/zinc/99/70/97/359997097.db2.gz JZLWYULHKUDBTE-QGZVFWFLSA-N 1 2 299.418 1.591 20 30 CDEDLO COc1ccccc1[C@@H]1CN(C(=O)[C@H](C)C#N)CC[NH2+]1 ZINC000337579042 360255259 /nfs/dbraw/zinc/25/52/59/360255259.db2.gz HUGBZXBADAKDOC-YPMHNXCESA-N 1 2 273.336 1.328 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCO1 ZINC000093528528 360299021 /nfs/dbraw/zinc/29/90/21/360299021.db2.gz JCJVHKGASHBVJM-BBRMVZONSA-N 1 2 290.363 1.825 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCO1 ZINC000093528528 360299025 /nfs/dbraw/zinc/29/90/25/360299025.db2.gz JCJVHKGASHBVJM-BBRMVZONSA-N 1 2 290.363 1.825 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@](C)(O)C2)c(C#N)c1C ZINC000177972814 189082048 /nfs/dbraw/zinc/08/20/48/189082048.db2.gz NNSJVVPAPPWYNS-AWEZNQCLSA-N 1 2 277.324 1.163 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@](C)(O)C2)c(C#N)c1C ZINC000177972814 189082049 /nfs/dbraw/zinc/08/20/49/189082049.db2.gz NNSJVVPAPPWYNS-AWEZNQCLSA-N 1 2 277.324 1.163 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000431138321 360977695 /nfs/dbraw/zinc/97/76/95/360977695.db2.gz LXUIGUNCFDYWHI-HIFRSBDPSA-N 1 2 270.336 1.978 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000431138321 360977700 /nfs/dbraw/zinc/97/77/00/360977700.db2.gz LXUIGUNCFDYWHI-HIFRSBDPSA-N 1 2 270.336 1.978 20 30 CDEDLO C=C(C)C[N@@H+](C)CC(=O)Nc1nc(CC(=O)OC)cs1 ZINC000157974208 361062314 /nfs/dbraw/zinc/06/23/14/361062314.db2.gz CALGQCSSJJARCA-UHFFFAOYSA-N 1 2 297.380 1.305 20 30 CDEDLO C=C(C)C[N@H+](C)CC(=O)Nc1nc(CC(=O)OC)cs1 ZINC000157974208 361062318 /nfs/dbraw/zinc/06/23/18/361062318.db2.gz CALGQCSSJJARCA-UHFFFAOYSA-N 1 2 297.380 1.305 20 30 CDEDLO C=CCC(C)(C)CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000432093177 361104671 /nfs/dbraw/zinc/10/46/71/361104671.db2.gz CDNWJFCRIBHUEW-CYBMUJFWSA-N 1 2 283.416 1.609 20 30 CDEDLO Cc1nc(CC(N)=[NH+]OCc2nnc(C(C)C)o2)cs1 ZINC000132056742 361184357 /nfs/dbraw/zinc/18/43/57/361184357.db2.gz NITFQBKDWSBRFE-UHFFFAOYSA-N 1 2 295.368 1.989 20 30 CDEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496231765 366718614 /nfs/dbraw/zinc/71/86/14/366718614.db2.gz ZMAAIRVVITZXSA-ZDUSSCGKSA-N 1 2 297.399 1.616 20 30 CDEDLO C=CC[N@H+](CCC#N)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496231765 366718616 /nfs/dbraw/zinc/71/86/16/366718616.db2.gz ZMAAIRVVITZXSA-ZDUSSCGKSA-N 1 2 297.399 1.616 20 30 CDEDLO N#CCCOCC[N@H+]1CCOc2c(F)cccc2C1 ZINC000339137027 361315810 /nfs/dbraw/zinc/31/58/10/361315810.db2.gz PLKLWDAGSMERJI-UHFFFAOYSA-N 1 2 264.300 1.950 20 30 CDEDLO N#CCCOCC[N@@H+]1CCOc2c(F)cccc2C1 ZINC000339137027 361315814 /nfs/dbraw/zinc/31/58/14/361315814.db2.gz PLKLWDAGSMERJI-UHFFFAOYSA-N 1 2 264.300 1.950 20 30 CDEDLO N#Cc1nccnc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000301630800 201106070 /nfs/dbraw/zinc/10/60/70/201106070.db2.gz IXAAIHIAQPDUHB-GFCCVEGCSA-N 1 2 267.292 1.401 20 30 CDEDLO O=C(NCC[NH+]1CCOCC1)NC[C@@H]1CCCCS1 ZINC000329346935 361485844 /nfs/dbraw/zinc/48/58/44/361485844.db2.gz VJJKRJBYLQJWDF-LBPRGKRZSA-N 1 2 287.429 1.108 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)NC[C@@H]1CCCOC1 ZINC000329365605 361491500 /nfs/dbraw/zinc/49/15/00/361491500.db2.gz IGEWETYDAWMRGJ-NSHDSACASA-N 1 2 266.345 1.193 20 30 CDEDLO COc1ccc(C[NH2+]Cc2cn[nH]c2C)cc1C#N ZINC000087823812 361675376 /nfs/dbraw/zinc/67/53/76/361675376.db2.gz RXRBNJNDFVPOKJ-UHFFFAOYSA-N 1 2 256.309 1.888 20 30 CDEDLO COC(=O)[C@H](C)[N@H+](Cc1ccc(C#N)cn1)C1CCC1 ZINC000580276602 363898757 /nfs/dbraw/zinc/89/87/57/363898757.db2.gz RGTDJOYQJSQRQM-NSHDSACASA-N 1 2 273.336 1.869 20 30 CDEDLO COC(=O)[C@H](C)[N@@H+](Cc1ccc(C#N)cn1)C1CCC1 ZINC000580276602 363898759 /nfs/dbraw/zinc/89/87/59/363898759.db2.gz RGTDJOYQJSQRQM-NSHDSACASA-N 1 2 273.336 1.869 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000161958157 364561729 /nfs/dbraw/zinc/56/17/29/364561729.db2.gz VZAMCWSDVOKAOP-LLVKDONJSA-N 1 2 271.320 1.517 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000161958157 364561731 /nfs/dbraw/zinc/56/17/31/364561731.db2.gz VZAMCWSDVOKAOP-LLVKDONJSA-N 1 2 271.320 1.517 20 30 CDEDLO C[N@H+](CCNC(=O)OC(C)(C)C)C[C@H](C#N)CCC#N ZINC000497046094 366864575 /nfs/dbraw/zinc/86/45/75/366864575.db2.gz MSDZVHXOVOYCGB-LBPRGKRZSA-N 1 2 280.372 1.886 20 30 CDEDLO C[N@@H+](CCNC(=O)OC(C)(C)C)C[C@H](C#N)CCC#N ZINC000497046094 366864579 /nfs/dbraw/zinc/86/45/79/366864579.db2.gz MSDZVHXOVOYCGB-LBPRGKRZSA-N 1 2 280.372 1.886 20 30 CDEDLO C[C@H](CCC#N)[N@@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000497064458 366865442 /nfs/dbraw/zinc/86/54/42/366865442.db2.gz OKGBSGFGEJJGFS-CHWSQXEVSA-N 1 2 297.399 1.904 20 30 CDEDLO C[C@H](CCC#N)[N@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000497064458 366865445 /nfs/dbraw/zinc/86/54/45/366865445.db2.gz OKGBSGFGEJJGFS-CHWSQXEVSA-N 1 2 297.399 1.904 20 30 CDEDLO C[N@H+](CC(=O)NC(=O)NC1CCCC1)CC(C)(C)C#N ZINC000583671238 364814935 /nfs/dbraw/zinc/81/49/35/364814935.db2.gz HEJQBRZQCWKSQO-UHFFFAOYSA-N 1 2 280.372 1.236 20 30 CDEDLO C[N@@H+](CC(=O)NC(=O)NC1CCCC1)CC(C)(C)C#N ZINC000583671238 364814943 /nfs/dbraw/zinc/81/49/43/364814943.db2.gz HEJQBRZQCWKSQO-UHFFFAOYSA-N 1 2 280.372 1.236 20 30 CDEDLO C#C[C@@H](CC)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000491303821 364945308 /nfs/dbraw/zinc/94/53/08/364945308.db2.gz CLBAVNCNRSWJIG-LBPRGKRZSA-N 1 2 274.368 1.473 20 30 CDEDLO COc1ccc(C[N@H+](C)CCS(C)(=O)=O)cc1C#N ZINC000094298648 365191384 /nfs/dbraw/zinc/19/13/84/365191384.db2.gz WFZZEVSENYJTDB-UHFFFAOYSA-N 1 2 282.365 1.043 20 30 CDEDLO COc1ccc(C[N@@H+](C)CCS(C)(=O)=O)cc1C#N ZINC000094298648 365191386 /nfs/dbraw/zinc/19/13/86/365191386.db2.gz WFZZEVSENYJTDB-UHFFFAOYSA-N 1 2 282.365 1.043 20 30 CDEDLO C[C@H]([NH2+]CCOc1ccccc1C#N)c1ncn(C)n1 ZINC000275652406 193096647 /nfs/dbraw/zinc/09/66/47/193096647.db2.gz XHUTUSBXUKNNQM-NSHDSACASA-N 1 2 271.324 1.416 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000367173838 365508118 /nfs/dbraw/zinc/50/81/18/365508118.db2.gz NIVRVVJMLGGPPE-GFCCVEGCSA-N 1 2 289.335 1.006 20 30 CDEDLO Cc1occc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000414393212 241180990 /nfs/dbraw/zinc/18/09/90/241180990.db2.gz DGWKCPJYSRVCEW-LBPRGKRZSA-N 1 2 297.362 1.960 20 30 CDEDLO Cc1occc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000414393212 241180995 /nfs/dbraw/zinc/18/09/95/241180995.db2.gz DGWKCPJYSRVCEW-LBPRGKRZSA-N 1 2 297.362 1.960 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@H](COCC)C1 ZINC000528715169 367951649 /nfs/dbraw/zinc/95/16/49/367951649.db2.gz BMAYKHGOHIKQJU-GJZGRUSLSA-N 1 2 298.427 1.537 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@H](COCC)C1 ZINC000528715169 367951653 /nfs/dbraw/zinc/95/16/53/367951653.db2.gz BMAYKHGOHIKQJU-GJZGRUSLSA-N 1 2 298.427 1.537 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000360959998 368571152 /nfs/dbraw/zinc/57/11/52/368571152.db2.gz HEIYLSBWPPNYPX-LSDHHAIUSA-N 1 2 288.395 1.907 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000360959998 368571156 /nfs/dbraw/zinc/57/11/56/368571156.db2.gz HEIYLSBWPPNYPX-LSDHHAIUSA-N 1 2 288.395 1.907 20 30 CDEDLO Cc1[nH+]c2cc(NC(=O)C(=O)NCCCC#N)ccc2n1C ZINC000544183680 369019677 /nfs/dbraw/zinc/01/96/77/369019677.db2.gz JJFOCEHATOOQLV-UHFFFAOYSA-N 1 2 299.334 1.240 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000565479109 370455606 /nfs/dbraw/zinc/45/56/06/370455606.db2.gz JUEFGAAYVCGKKY-CYBMUJFWSA-N 1 2 279.384 1.392 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000565479109 370455610 /nfs/dbraw/zinc/45/56/10/370455610.db2.gz JUEFGAAYVCGKKY-CYBMUJFWSA-N 1 2 279.384 1.392 20 30 CDEDLO C#CC[N@@H+](Cc1csc(CC(=O)NC)n1)C1CCCC1 ZINC000155778902 371023326 /nfs/dbraw/zinc/02/33/26/371023326.db2.gz GXAZLOMKTVKFGA-UHFFFAOYSA-N 1 2 291.420 1.809 20 30 CDEDLO C#CC[N@H+](Cc1csc(CC(=O)NC)n1)C1CCCC1 ZINC000155778902 371023330 /nfs/dbraw/zinc/02/33/30/371023330.db2.gz GXAZLOMKTVKFGA-UHFFFAOYSA-N 1 2 291.420 1.809 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1cccc(COC)c1 ZINC000567624208 371070696 /nfs/dbraw/zinc/07/06/96/371070696.db2.gz IRMLCZKMIBHYQS-HNNXBMFYSA-N 1 2 289.379 1.731 20 30 CDEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000568751121 371230943 /nfs/dbraw/zinc/23/09/43/371230943.db2.gz YUVZEHZWZNABRZ-HNNXBMFYSA-N 1 2 287.363 1.668 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC#N)CC1CC1 ZINC000568764905 371231316 /nfs/dbraw/zinc/23/13/16/371231316.db2.gz OPTSDPVWYARALZ-LLVKDONJSA-N 1 2 260.341 1.741 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC#N)CC1CC1 ZINC000568764905 371231318 /nfs/dbraw/zinc/23/13/18/371231318.db2.gz OPTSDPVWYARALZ-LLVKDONJSA-N 1 2 260.341 1.741 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181321360 372570466 /nfs/dbraw/zinc/57/04/66/372570466.db2.gz HIZWIWBHHMJZCC-MNOVXSKESA-N 1 2 294.317 1.431 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181321360 372570469 /nfs/dbraw/zinc/57/04/69/372570469.db2.gz HIZWIWBHHMJZCC-MNOVXSKESA-N 1 2 294.317 1.431 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cnc2c(c1)c(C)nn2C ZINC000174528147 372591774 /nfs/dbraw/zinc/59/17/74/372591774.db2.gz XGFSZVPHVWOXDJ-UHFFFAOYSA-N 1 2 252.321 1.345 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N[C@H](C)c1cccs1 ZINC000174525691 372592818 /nfs/dbraw/zinc/59/28/18/372592818.db2.gz RFQGHACBVNADCG-GFCCVEGCSA-N 1 2 260.362 1.494 20 30 CDEDLO Cc1cc(=NC(=O)C[N@@H+]2CCC(C)(C)C2)[nH]n1CCC#N ZINC000579976238 372658278 /nfs/dbraw/zinc/65/82/78/372658278.db2.gz HGFWUVNWSBUWKB-UHFFFAOYSA-N 1 2 289.383 1.198 20 30 CDEDLO Cc1cc(=NC(=O)C[N@H+]2CCC(C)(C)C2)[nH]n1CCC#N ZINC000579976238 372658281 /nfs/dbraw/zinc/65/82/81/372658281.db2.gz HGFWUVNWSBUWKB-UHFFFAOYSA-N 1 2 289.383 1.198 20 30 CDEDLO C=CC[N@@H+](CCOC)[C@@H](C)c1nc(COC)no1 ZINC000191122733 373454373 /nfs/dbraw/zinc/45/43/73/373454373.db2.gz YFBCUFVHSOYZGC-JTQLQIEISA-N 1 2 255.318 1.411 20 30 CDEDLO C=CC[N@H+](CCOC)[C@@H](C)c1nc(COC)no1 ZINC000191122733 373454380 /nfs/dbraw/zinc/45/43/80/373454380.db2.gz YFBCUFVHSOYZGC-JTQLQIEISA-N 1 2 255.318 1.411 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192021406 373572317 /nfs/dbraw/zinc/57/23/17/373572317.db2.gz IUTRLGJNKFYQBG-JTQLQIEISA-N 1 2 284.356 1.562 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192021406 373572322 /nfs/dbraw/zinc/57/23/22/373572322.db2.gz IUTRLGJNKFYQBG-JTQLQIEISA-N 1 2 284.356 1.562 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNc1nc2ccccn2c1C#N ZINC000360112030 374001608 /nfs/dbraw/zinc/00/16/08/374001608.db2.gz KYUATKDSRLCPRU-LBPRGKRZSA-N 1 2 285.351 1.339 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNc1nc2ccccn2c1C#N ZINC000360112030 374001615 /nfs/dbraw/zinc/00/16/15/374001615.db2.gz KYUATKDSRLCPRU-LBPRGKRZSA-N 1 2 285.351 1.339 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000289536350 197394519 /nfs/dbraw/zinc/39/45/19/197394519.db2.gz NRMNOEYTYMVHII-HNNXBMFYSA-N 1 2 278.352 1.251 20 30 CDEDLO Cn1cc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)cc1C#N ZINC000368040503 374151874 /nfs/dbraw/zinc/15/18/74/374151874.db2.gz JAPLBMLYYRFKGM-HUUCEWRRSA-N 1 2 275.352 1.277 20 30 CDEDLO Cn1cc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)cc1C#N ZINC000368040503 374151879 /nfs/dbraw/zinc/15/18/79/374151879.db2.gz JAPLBMLYYRFKGM-HUUCEWRRSA-N 1 2 275.352 1.277 20 30 CDEDLO COC(=O)CCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000378319472 374639145 /nfs/dbraw/zinc/63/91/45/374639145.db2.gz ZTSBAEAGESHSHO-OAHLLOKOSA-N 1 2 288.347 1.885 20 30 CDEDLO COC(=O)CCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000378319472 374639152 /nfs/dbraw/zinc/63/91/52/374639152.db2.gz ZTSBAEAGESHSHO-OAHLLOKOSA-N 1 2 288.347 1.885 20 30 CDEDLO Cc1ccnc(N2CCC[C@H]2C[NH+]2CCOCC2)c1C#N ZINC000275073878 374689206 /nfs/dbraw/zinc/68/92/06/374689206.db2.gz VTKOZRRKIWPCIG-AWEZNQCLSA-N 1 2 286.379 1.563 20 30 CDEDLO Cc1nc2n(n1)CCC[C@H]2[NH2+]Cc1cc(C#N)n(C)c1 ZINC000331395745 374948453 /nfs/dbraw/zinc/94/84/53/374948453.db2.gz BVEOXHUNWQKDBN-CYBMUJFWSA-N 1 2 270.340 1.421 20 30 CDEDLO CC(C)c1nc(N(C)C)nc(N[C@@H]2CC[C@H](C#N)C2)[nH+]1 ZINC000425271512 375575430 /nfs/dbraw/zinc/57/54/30/375575430.db2.gz IMODUEBMJJGTQV-WDEREUQCSA-N 1 2 274.372 1.587 20 30 CDEDLO CC(C)c1nc(N[C@@H]2CC[C@H](C#N)C2)nc(N(C)C)[nH+]1 ZINC000425271512 375575436 /nfs/dbraw/zinc/57/54/36/375575436.db2.gz IMODUEBMJJGTQV-WDEREUQCSA-N 1 2 274.372 1.587 20 30 CDEDLO Cc1csc2nc(C[NH+]3CCC(C#N)CC3)cc(=O)n12 ZINC000057907814 375601101 /nfs/dbraw/zinc/60/11/01/375601101.db2.gz DMROYFZLNNYRJJ-UHFFFAOYSA-N 1 2 288.376 1.800 20 30 CDEDLO N#Cc1ccc(OCC[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1 ZINC000133110262 375690404 /nfs/dbraw/zinc/69/04/04/375690404.db2.gz QCEHMZVSCKNJIZ-CVEARBPZSA-N 1 2 299.374 1.680 20 30 CDEDLO N#Cc1ccc(OCC[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1 ZINC000133110262 375690409 /nfs/dbraw/zinc/69/04/09/375690409.db2.gz QCEHMZVSCKNJIZ-CVEARBPZSA-N 1 2 299.374 1.680 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)c1ncc([N+](=O)[O-])cc1C#N ZINC000428113812 247244912 /nfs/dbraw/zinc/24/49/12/247244912.db2.gz AKGBQTBLVWEUFR-UHFFFAOYSA-N 1 2 258.241 1.221 20 30 CDEDLO C#C[C@H](C)[NH2+]Cc1csc(N(CC)C(C)=O)n1 ZINC000122986674 375821443 /nfs/dbraw/zinc/82/14/43/375821443.db2.gz YPEPIDVYHYAJNI-VIFPVBQESA-N 1 2 251.355 1.627 20 30 CDEDLO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000328618293 375898072 /nfs/dbraw/zinc/89/80/72/375898072.db2.gz VAAKQDFFCCQUBS-CKYFFXLPSA-N 1 2 291.355 1.066 20 30 CDEDLO CC1CC(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000328778633 375967841 /nfs/dbraw/zinc/96/78/41/375967841.db2.gz DQHMWWRWDYGBIT-MOENNCHZSA-N 1 2 262.357 1.922 20 30 CDEDLO O=C(N[C@H]1CC[C@H](CO)CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000328801199 375975448 /nfs/dbraw/zinc/97/54/48/375975448.db2.gz JAKDTXGTWLQKCU-JHJVBQTASA-N 1 2 277.368 1.953 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000025506967 375916992 /nfs/dbraw/zinc/91/69/92/375916992.db2.gz OAPQWFVGAHSDQK-ZDUSSCGKSA-N 1 2 289.354 1.086 20 30 CDEDLO C[C@@H]1C[C@H](C)[C@H](C(=O)NCC2([NH+]3CCOCC3)CC2)O1 ZINC000328682311 375927212 /nfs/dbraw/zinc/92/72/12/375927212.db2.gz VPUBPDPUTFIJBE-YNEHKIRRSA-N 1 2 282.384 1.621 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(C#N)s1 ZINC000345387157 376012530 /nfs/dbraw/zinc/01/25/30/376012530.db2.gz NNHHACREAQVCEC-NSHDSACASA-N 1 2 293.392 1.412 20 30 CDEDLO C[C@H](C(=O)N[C@@H]1CCCN(C)C1=O)[NH+]1CCSCC1 ZINC000328949318 376017297 /nfs/dbraw/zinc/01/72/97/376017297.db2.gz NAWIOYNIXFTCKM-GHMZBOCLSA-N 1 2 285.413 1.001 20 30 CDEDLO Cc1noc([C@H](C)NC(=O)Nc2cc[nH+]cc2C)n1 ZINC000330593910 376287174 /nfs/dbraw/zinc/28/71/74/376287174.db2.gz SPWPUBPGBWCCDT-QMMMGPOBSA-N 1 2 261.285 1.590 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000571772458 377519043 /nfs/dbraw/zinc/51/90/43/377519043.db2.gz YAVHZDIDBMACMM-LBPRGKRZSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000571772458 377519048 /nfs/dbraw/zinc/51/90/48/377519048.db2.gz YAVHZDIDBMACMM-LBPRGKRZSA-N 1 2 254.374 1.426 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000280015823 377933821 /nfs/dbraw/zinc/93/38/21/377933821.db2.gz MBSSOXPJVXOICL-CQSZACIVSA-N 1 2 295.379 1.696 20 30 CDEDLO C#CC[N@H+](Cc1ccc(F)cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000280015823 377933827 /nfs/dbraw/zinc/93/38/27/377933827.db2.gz MBSSOXPJVXOICL-CQSZACIVSA-N 1 2 295.379 1.696 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2CC=C)CC1 ZINC000282375869 378033834 /nfs/dbraw/zinc/03/38/34/378033834.db2.gz UTWCGHQRDLRZNP-UHFFFAOYSA-N 1 2 287.411 1.418 20 30 CDEDLO C=CCCCC(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000574696099 335040644 /nfs/dbraw/zinc/04/06/44/335040644.db2.gz NXMVILCABDYDON-ZDUSSCGKSA-N 1 2 291.395 1.514 20 30 CDEDLO C=CCN(c1nc(NCCO)[nH+]c(NC(C)C)n1)C1CC1 ZINC000286577977 378220011 /nfs/dbraw/zinc/22/00/11/378220011.db2.gz SEKZHQDHYWOQHF-UHFFFAOYSA-N 1 2 292.387 1.251 20 30 CDEDLO C=CCN(c1nc(NC(C)C)nc(NCCO)[nH+]1)C1CC1 ZINC000286577977 378220022 /nfs/dbraw/zinc/22/00/22/378220022.db2.gz SEKZHQDHYWOQHF-UHFFFAOYSA-N 1 2 292.387 1.251 20 30 CDEDLO C=CCN(c1nc(NCCO)nc(NC(C)C)[nH+]1)C1CC1 ZINC000286577977 378220027 /nfs/dbraw/zinc/22/00/27/378220027.db2.gz SEKZHQDHYWOQHF-UHFFFAOYSA-N 1 2 292.387 1.251 20 30 CDEDLO N#Cc1ccc(NCC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000358673604 378221522 /nfs/dbraw/zinc/22/15/22/378221522.db2.gz BJNQTODKPPOIOE-UHFFFAOYSA-N 1 2 283.335 1.373 20 30 CDEDLO CC#CCNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000135659301 378232144 /nfs/dbraw/zinc/23/21/44/378232144.db2.gz LBWHRMCMQVYCMV-CYBMUJFWSA-N 1 2 295.333 1.890 20 30 CDEDLO C=CC[C@@H](C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000194248293 378332263 /nfs/dbraw/zinc/33/22/63/378332263.db2.gz YTLFQGUXAGKKKK-CQSZACIVSA-N 1 2 288.395 1.873 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000290221250 378369540 /nfs/dbraw/zinc/36/95/40/378369540.db2.gz SYWCOUBABXNQOH-SECBINFHSA-N 1 2 266.238 1.054 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000290221250 378369543 /nfs/dbraw/zinc/36/95/43/378369543.db2.gz SYWCOUBABXNQOH-SECBINFHSA-N 1 2 266.238 1.054 20 30 CDEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000293096826 378537810 /nfs/dbraw/zinc/53/78/10/378537810.db2.gz KUXWLBZXRRGTPY-JTQLQIEISA-N 1 2 286.335 1.138 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000293096826 378537815 /nfs/dbraw/zinc/53/78/15/378537815.db2.gz KUXWLBZXRRGTPY-JTQLQIEISA-N 1 2 286.335 1.138 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000293135695 378540231 /nfs/dbraw/zinc/54/02/31/378540231.db2.gz NFRJGHWMQPHJTR-MRXNPFEDSA-N 1 2 299.418 1.584 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000293135695 378540237 /nfs/dbraw/zinc/54/02/37/378540237.db2.gz NFRJGHWMQPHJTR-MRXNPFEDSA-N 1 2 299.418 1.584 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C ZINC000293274695 378550879 /nfs/dbraw/zinc/55/08/79/378550879.db2.gz VEAVNQDFIVZPCD-CHWSQXEVSA-N 1 2 279.384 1.346 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C ZINC000293274695 378550883 /nfs/dbraw/zinc/55/08/83/378550883.db2.gz VEAVNQDFIVZPCD-CHWSQXEVSA-N 1 2 279.384 1.346 20 30 CDEDLO CC#CCCCC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000186056785 378840986 /nfs/dbraw/zinc/84/09/86/378840986.db2.gz JPWFFQBPNMJRGC-UHFFFAOYSA-N 1 2 286.379 1.627 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1csc([C@H](C)OCC)n1 ZINC000662166102 412913340 /nfs/dbraw/zinc/91/33/40/412913340.db2.gz ZRVUMGSADCJBQA-VHSXEESVSA-N 1 2 256.371 1.877 20 30 CDEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccco3)CC2)c1C#N ZINC000471804724 252830183 /nfs/dbraw/zinc/83/01/83/252830183.db2.gz OKJPREHINUHQFZ-UHFFFAOYSA-N 1 2 285.351 1.515 20 30 CDEDLO CCc1nocc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000507083279 254097072 /nfs/dbraw/zinc/09/70/72/254097072.db2.gz HAYGTXGFSNGKEI-UHFFFAOYSA-N 1 2 297.362 1.826 20 30 CDEDLO Cc1nsc(N(C)CCC[NH+]2CCN(C)CC2)c1C#N ZINC000288893581 197187143 /nfs/dbraw/zinc/18/71/43/197187143.db2.gz NFRYGNLSKJOHDE-UHFFFAOYSA-N 1 2 293.440 1.397 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)CC)C1=O ZINC000281358351 195210132 /nfs/dbraw/zinc/21/01/32/195210132.db2.gz NPYDBOBJEBIATI-AVGNSLFASA-N 1 2 281.400 1.008 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N[C@@H](C)CC)C1=O ZINC000281358351 195210134 /nfs/dbraw/zinc/21/01/34/195210134.db2.gz NPYDBOBJEBIATI-AVGNSLFASA-N 1 2 281.400 1.008 20 30 CDEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@H](F)C3)C2=O)cc1 ZINC000336261055 390180327 /nfs/dbraw/zinc/18/03/27/390180327.db2.gz KBHAFVSAKIWICR-TZMCWYRMSA-N 1 2 273.311 1.707 20 30 CDEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@@H](F)C3)C2=O)cc1 ZINC000336261055 390180331 /nfs/dbraw/zinc/18/03/31/390180331.db2.gz KBHAFVSAKIWICR-TZMCWYRMSA-N 1 2 273.311 1.707 20 30 CDEDLO CCNC(=O)C[N@H+](CC)Cc1cccc(C#N)c1F ZINC000219510079 390210115 /nfs/dbraw/zinc/21/01/15/390210115.db2.gz WWXLEBUZOVLJSF-UHFFFAOYSA-N 1 2 263.316 1.655 20 30 CDEDLO CCNC(=O)C[N@@H+](CC)Cc1cccc(C#N)c1F ZINC000219510079 390210118 /nfs/dbraw/zinc/21/01/18/390210118.db2.gz WWXLEBUZOVLJSF-UHFFFAOYSA-N 1 2 263.316 1.655 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000299412230 390428877 /nfs/dbraw/zinc/42/88/77/390428877.db2.gz WBKUWXDMQVSFJH-ZNMIVQPWSA-N 1 2 260.381 1.448 20 30 CDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccccc1[N+](=O)[O-] ZINC000112336273 390686093 /nfs/dbraw/zinc/68/60/93/390686093.db2.gz GBXPDIUAGDTKEM-UHFFFAOYSA-N 1 2 294.311 1.298 20 30 CDEDLO C#CCC(C)(C)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376172070 390840201 /nfs/dbraw/zinc/84/02/01/390840201.db2.gz LTNFUQZWXPBVRI-KGLIPLIRSA-N 1 2 278.396 1.358 20 30 CDEDLO Cc1cc(Br)ccc1CO[NH+]=C(N)CCO ZINC000121316879 390883469 /nfs/dbraw/zinc/88/34/69/390883469.db2.gz ZNCLNUBISSDWRH-UHFFFAOYSA-N 1 2 287.157 1.929 20 30 CDEDLO Cc1[nH+]cc(CN2CCO[C@@H](C#N)C2)n1-c1ccccc1 ZINC000093135442 390899769 /nfs/dbraw/zinc/89/97/69/390899769.db2.gz ZQXZMUYHLPNUNV-INIZCTEOSA-N 1 2 282.347 1.905 20 30 CDEDLO C=CC[N@@H+](CCC#N)CCCN1C(=O)NC(C)(C)C1=O ZINC000428830490 390914049 /nfs/dbraw/zinc/91/40/49/390914049.db2.gz BFWXQRODIADEOD-UHFFFAOYSA-N 1 2 278.356 1.109 20 30 CDEDLO C=CC[N@H+](CCC#N)CCCN1C(=O)NC(C)(C)C1=O ZINC000428830490 390914050 /nfs/dbraw/zinc/91/40/50/390914050.db2.gz BFWXQRODIADEOD-UHFFFAOYSA-N 1 2 278.356 1.109 20 30 CDEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)NC3CC3)C2)[nH]1 ZINC000329490017 390997799 /nfs/dbraw/zinc/99/77/99/390997799.db2.gz UZFQZWPXSAQEOZ-SNVBAGLBSA-N 1 2 263.345 1.411 20 30 CDEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)NC3CC3)C2)[nH]1 ZINC000329490017 390997802 /nfs/dbraw/zinc/99/78/02/390997802.db2.gz UZFQZWPXSAQEOZ-SNVBAGLBSA-N 1 2 263.345 1.411 20 30 CDEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)NC3CC3)C2)n1 ZINC000329490017 390997805 /nfs/dbraw/zinc/99/78/05/390997805.db2.gz UZFQZWPXSAQEOZ-SNVBAGLBSA-N 1 2 263.345 1.411 20 30 CDEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)NC3CC3)C2)n1 ZINC000329490017 390997807 /nfs/dbraw/zinc/99/78/07/390997807.db2.gz UZFQZWPXSAQEOZ-SNVBAGLBSA-N 1 2 263.345 1.411 20 30 CDEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)NC3CC3)C2)n[nH]1 ZINC000329490017 390997811 /nfs/dbraw/zinc/99/78/11/390997811.db2.gz UZFQZWPXSAQEOZ-SNVBAGLBSA-N 1 2 263.345 1.411 20 30 CDEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)NC3CC3)C2)n[nH]1 ZINC000329490017 390997814 /nfs/dbraw/zinc/99/78/14/390997814.db2.gz UZFQZWPXSAQEOZ-SNVBAGLBSA-N 1 2 263.345 1.411 20 30 CDEDLO CC[C@@H](NC(=O)N1CCn2c[nH+]cc2C1)C1CCOCC1 ZINC000329617191 391034224 /nfs/dbraw/zinc/03/42/24/391034224.db2.gz QBJPHYUXZHJXNZ-CQSZACIVSA-N 1 2 292.383 1.818 20 30 CDEDLO CC[C@@H]([NH+]=C([O-])N1CCn2c[nH+]cc2C1)C1CCOCC1 ZINC000329617191 391034228 /nfs/dbraw/zinc/03/42/28/391034228.db2.gz QBJPHYUXZHJXNZ-CQSZACIVSA-N 1 2 292.383 1.818 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+](CCC)CC(=O)OC(C)(C)C ZINC000186315538 391067362 /nfs/dbraw/zinc/06/73/62/391067362.db2.gz NXSSMPARCNOFLB-LBPRGKRZSA-N 1 2 282.384 1.178 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+](CCC)CC(=O)OC(C)(C)C ZINC000186315538 391067366 /nfs/dbraw/zinc/06/73/66/391067366.db2.gz NXSSMPARCNOFLB-LBPRGKRZSA-N 1 2 282.384 1.178 20 30 CDEDLO Cn1cccc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000439580637 391084335 /nfs/dbraw/zinc/08/43/35/391084335.db2.gz KRNCGHQZKUIWFI-AWEZNQCLSA-N 1 2 268.320 1.213 20 30 CDEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000265667563 391160453 /nfs/dbraw/zinc/16/04/53/391160453.db2.gz YUVFFCNSNRIBFC-MTJIALIYSA-N 1 2 292.404 1.930 20 30 CDEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000265667563 391160456 /nfs/dbraw/zinc/16/04/56/391160456.db2.gz YUVFFCNSNRIBFC-MTJIALIYSA-N 1 2 292.404 1.930 20 30 CDEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)NCc1ccccc1 ZINC000266925921 391183308 /nfs/dbraw/zinc/18/33/08/391183308.db2.gz NGEIZISOTJXROK-ZDUSSCGKSA-N 1 2 259.353 1.927 20 30 CDEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)NCc1ccccc1 ZINC000266925921 391183312 /nfs/dbraw/zinc/18/33/12/391183312.db2.gz NGEIZISOTJXROK-ZDUSSCGKSA-N 1 2 259.353 1.927 20 30 CDEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)NCc1ccccc1 ZINC000266925919 391183970 /nfs/dbraw/zinc/18/39/70/391183970.db2.gz NGEIZISOTJXROK-CYBMUJFWSA-N 1 2 259.353 1.927 20 30 CDEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)NCc1ccccc1 ZINC000266925919 391183972 /nfs/dbraw/zinc/18/39/72/391183972.db2.gz NGEIZISOTJXROK-CYBMUJFWSA-N 1 2 259.353 1.927 20 30 CDEDLO COCCCO[NH+]=C(N)c1ccc(OC)c(OC)c1 ZINC000183244735 391258412 /nfs/dbraw/zinc/25/84/12/391258412.db2.gz DYTSIDMGQSVMIO-UHFFFAOYSA-N 1 2 268.313 1.377 20 30 CDEDLO C[C@H](C(=O)N(C)C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376596191 391243131 /nfs/dbraw/zinc/24/31/31/391243131.db2.gz TYZAIAAGTFJHTQ-CYBMUJFWSA-N 1 2 286.379 1.415 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CCCS(=O)(=O)c1ccccc1OC 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CC[C@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000345813958 391317141 /nfs/dbraw/zinc/31/71/41/391317141.db2.gz PUMBHTREHGLLRU-RYUDHWBXSA-N 1 2 265.357 1.048 20 30 CDEDLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000345813958 391317143 /nfs/dbraw/zinc/31/71/43/391317143.db2.gz PUMBHTREHGLLRU-RYUDHWBXSA-N 1 2 265.357 1.048 20 30 CDEDLO C[C@@H](NC(=O)C#Cc1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000176234186 391343259 /nfs/dbraw/zinc/34/32/59/391343259.db2.gz DSPSAEYSSQKPHO-CABCVRRESA-N 1 2 286.375 1.264 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000339761264 391350928 /nfs/dbraw/zinc/35/09/28/391350928.db2.gz QUUCANGLNDHYCQ-UHFFFAOYSA-N 1 2 275.308 1.797 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000339761264 391350932 /nfs/dbraw/zinc/35/09/32/391350932.db2.gz QUUCANGLNDHYCQ-UHFFFAOYSA-N 1 2 275.308 1.797 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCCCOC1CCCCC1 ZINC000339767134 391356253 /nfs/dbraw/zinc/35/62/53/391356253.db2.gz 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391538642 /nfs/dbraw/zinc/53/86/42/391538642.db2.gz OVEODSZMZGGESI-WDEREUQCSA-N 1 2 264.329 1.333 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C1(C#N)CCCC1 ZINC000362208154 391715298 /nfs/dbraw/zinc/71/52/98/391715298.db2.gz OWUSJJYEUJXVGK-CYBMUJFWSA-N 1 2 279.384 1.249 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000362221322 391715742 /nfs/dbraw/zinc/71/57/42/391715742.db2.gz MOVLPGPSSLSYQT-GOEBONIOSA-N 1 2 298.427 1.394 20 30 CDEDLO C=CCN1CC[C@@H](N(C)C(=O)Nc2cc[nH+]c(C)c2)C1=O ZINC000282077782 391670363 /nfs/dbraw/zinc/67/03/63/391670363.db2.gz XIGVHAWJFQIWFI-CYBMUJFWSA-N 1 2 288.351 1.641 20 30 CDEDLO C#CCn1ccc(CN(CC)C(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000282655136 391679179 /nfs/dbraw/zinc/67/91/79/391679179.db2.gz BAPJBVMZRDBFIG-AATRIKPKSA-N 1 2 283.335 1.301 20 30 CDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C#Cc1ccccc1 ZINC000287419613 391739024 /nfs/dbraw/zinc/73/90/24/391739024.db2.gz QFNANKYNRHTSAS-RDJZCZTQSA-N 1 2 298.386 1.360 20 30 CDEDLO C=C(C)CCNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413594143 391777068 /nfs/dbraw/zinc/77/70/68/391777068.db2.gz OYLDJTFJNJXVHD-UHFFFAOYSA-N 1 2 269.389 1.363 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000329882715 391793558 /nfs/dbraw/zinc/79/35/58/391793558.db2.gz QGOGFNZVDIZDIV-JHJVBQTASA-N 1 2 268.357 1.255 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000329882715 391793562 /nfs/dbraw/zinc/79/35/62/391793562.db2.gz QGOGFNZVDIZDIV-JHJVBQTASA-N 1 2 268.357 1.255 20 30 CDEDLO CC(=O)N[C@H](CC1CCC1)C(=O)N1CCn2cc[nH+]c2C1 ZINC000329888662 391794825 /nfs/dbraw/zinc/79/48/25/391794825.db2.gz ZFSIAMQIWBZZJC-CYBMUJFWSA-N 1 2 290.367 1.761 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCS3)n2C)CC1 ZINC000491383405 391858338 /nfs/dbraw/zinc/85/83/38/391858338.db2.gz LQDLIJICXCNAKP-LBPRGKRZSA-N 1 2 291.424 1.138 20 30 CDEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)NCC2CC2)CC1 ZINC000263771689 131327385 /nfs/dbraw/zinc/32/73/85/131327385.db2.gz WTDJVVZOBKWXQG-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/99/90/61/392999061.db2.gz UVLDBLVCLBLUQN-UHFFFAOYSA-N 1 2 275.352 1.894 20 30 CDEDLO CC[C@H]1C[N@H+](CCNc2cc(C)ncc2C#N)CCO1 ZINC000425257718 393007171 /nfs/dbraw/zinc/00/71/71/393007171.db2.gz JFPFWWSNLQJWIE-AWEZNQCLSA-N 1 2 274.368 1.206 20 30 CDEDLO CC[C@H]1C[N@@H+](CCNc2cc(C)ncc2C#N)CCO1 ZINC000425257718 393007176 /nfs/dbraw/zinc/00/71/76/393007176.db2.gz JFPFWWSNLQJWIE-AWEZNQCLSA-N 1 2 274.368 1.206 20 30 CDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC=C(F)C1 ZINC000528429780 393025285 /nfs/dbraw/zinc/02/52/85/393025285.db2.gz HOQVPXRZUCTXJP-AWEZNQCLSA-N 1 2 276.311 1.857 20 30 CDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC=C(F)C1 ZINC000528429780 393025290 /nfs/dbraw/zinc/02/52/90/393025290.db2.gz HOQVPXRZUCTXJP-AWEZNQCLSA-N 1 2 276.311 1.857 20 30 CDEDLO CC(C)N1CC[NH+]([C@@H]2CCN(c3cccc(C#N)n3)C2)CC1 ZINC000533684270 393085138 /nfs/dbraw/zinc/08/51/38/393085138.db2.gz WEUOVSRRIXFVNG-MRXNPFEDSA-N 1 2 299.422 1.558 20 30 CDEDLO COC(=O)c1cccc(C[N@@H+]2CCCOCC2)c1C#N ZINC000533751165 393087221 /nfs/dbraw/zinc/08/72/21/393087221.db2.gz HUBVOOHCYMUXCV-UHFFFAOYSA-N 1 2 274.320 1.567 20 30 CDEDLO COC(=O)c1cccc(C[N@H+]2CCCOCC2)c1C#N ZINC000533751165 393087223 /nfs/dbraw/zinc/08/72/23/393087223.db2.gz HUBVOOHCYMUXCV-UHFFFAOYSA-N 1 2 274.320 1.567 20 30 CDEDLO N#Cc1nc(N)n(Cc2ccc(-n3cc[nH+]c3)cc2)c1C#N ZINC000187865287 140084759 /nfs/dbraw/zinc/08/47/59/140084759.db2.gz PGQZHMYBOYBOLH-UHFFFAOYSA-N 1 2 289.302 1.443 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000329545182 397652715 /nfs/dbraw/zinc/65/27/15/397652715.db2.gz GLRMNTILRZIEKR-LLVKDONJSA-N 1 2 291.355 1.465 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(C#N)cc1 ZINC000116287333 147269397 /nfs/dbraw/zinc/26/93/97/147269397.db2.gz UPCNDXAUTSRXLG-ZIAGYGMSSA-N 1 2 274.320 1.321 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000116287333 147269401 /nfs/dbraw/zinc/26/94/01/147269401.db2.gz UPCNDXAUTSRXLG-ZIAGYGMSSA-N 1 2 274.320 1.321 20 30 CDEDLO N#Cc1ccc(SCC(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000172989878 147881198 /nfs/dbraw/zinc/88/11/98/147881198.db2.gz WAWLKXRADPPQAK-UHFFFAOYSA-N 1 2 286.360 1.732 20 30 CDEDLO C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccon1 ZINC000349238530 154072469 /nfs/dbraw/zinc/07/24/69/154072469.db2.gz KFGAVCQVNWBMDX-NSHDSACASA-N 1 2 284.319 1.513 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cccc(OC)c2)nn1 ZINC000656452045 413305983 /nfs/dbraw/zinc/30/59/83/413305983.db2.gz FWAXZZQXTFKXHD-UHFFFAOYSA-N 1 2 270.336 1.448 20 30 CDEDLO CC#CC[NH2+]Cc1cn(-c2cc(C)cc(F)c2)nn1 ZINC000656453793 413311424 /nfs/dbraw/zinc/31/14/24/413311424.db2.gz WTDCCOJKDXDWEL-UHFFFAOYSA-N 1 2 258.300 1.828 20 30 CDEDLO Cc1onc(CC(=O)NCc2ccc(N(C)C)[nH+]c2)c1C#N ZINC000353890817 156145357 /nfs/dbraw/zinc/14/53/57/156145357.db2.gz XBUVVYQPPRXULY-UHFFFAOYSA-N 1 2 299.334 1.175 20 30 CDEDLO C=CCOCCNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000662710839 413359923 /nfs/dbraw/zinc/35/99/23/413359923.db2.gz KCOPJQUBZKSOOQ-GFCCVEGCSA-N 1 2 270.279 1.283 20 30 CDEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000351646202 287255383 /nfs/dbraw/zinc/25/53/83/287255383.db2.gz ZLVANXKWTNUDRT-ZIAGYGMSSA-N 1 2 292.383 1.142 20 30 CDEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000351646202 287255386 /nfs/dbraw/zinc/25/53/86/287255386.db2.gz ZLVANXKWTNUDRT-ZIAGYGMSSA-N 1 2 292.383 1.142 20 30 CDEDLO C=CCCCCCN(C)C(=O)NCC[NH+]1CCOCC1 ZINC000153525315 412407639 /nfs/dbraw/zinc/40/76/39/412407639.db2.gz ZEQCPXNLOWZKCM-UHFFFAOYSA-N 1 2 283.416 1.706 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000664809682 413665295 /nfs/dbraw/zinc/66/52/95/413665295.db2.gz JNDGZJZTQNXVND-IHRRRGAJSA-N 1 2 283.416 1.750 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000664809682 413665299 /nfs/dbraw/zinc/66/52/99/413665299.db2.gz JNDGZJZTQNXVND-IHRRRGAJSA-N 1 2 283.416 1.750 20 30 CDEDLO C=CC[N@H+](CC(=O)Nc1c(C)n[nH]c1C)[C@H](C)COC ZINC000661248599 413921482 /nfs/dbraw/zinc/92/14/82/413921482.db2.gz VMWMDJJBOCRRTN-SNVBAGLBSA-N 1 2 280.372 1.488 20 30 CDEDLO C=CC[N@@H+](CC(=O)Nc1c(C)n[nH]c1C)[C@H](C)COC ZINC000661248599 413921490 /nfs/dbraw/zinc/92/14/90/413921490.db2.gz VMWMDJJBOCRRTN-SNVBAGLBSA-N 1 2 280.372 1.488 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@@H](C)c1noc(-c2ccccc2)n1 ZINC000662168325 414547784 /nfs/dbraw/zinc/54/77/84/414547784.db2.gz BKMSZAIMZNNREH-CMPLNLGQSA-N 1 2 259.309 1.934 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000071848333 176275975 /nfs/dbraw/zinc/27/59/75/176275975.db2.gz AXAZZDIVTYJYIF-UHFFFAOYSA-N 1 2 288.347 1.749 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000076683323 177059331 /nfs/dbraw/zinc/05/93/31/177059331.db2.gz PLFDUHLNYILXGG-ZDUSSCGKSA-N 1 2 274.368 1.627 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCn2cccc2[C@@H]1C ZINC000076683323 177059333 /nfs/dbraw/zinc/05/93/33/177059333.db2.gz PLFDUHLNYILXGG-ZDUSSCGKSA-N 1 2 274.368 1.627 20 30 CDEDLO Cc1nnc(CNC(=O)[C@H](C)[NH+]2CCSCC2)n1C ZINC000329004693 227254290 /nfs/dbraw/zinc/25/42/90/227254290.db2.gz XAILTNXHIHHYBB-VIFPVBQESA-N 1 2 283.401 1.017 20 30 CDEDLO O=C(C[N@@H+]1CCN2C(=O)CC[C@@H]2C1)NCC1CCCCC1 ZINC000329054137 227275849 /nfs/dbraw/zinc/27/58/49/227275849.db2.gz SBZOMIAWPFMJOF-CQSZACIVSA-N 1 2 293.411 1.830 20 30 CDEDLO O=C(C[N@H+]1CCN2C(=O)CC[C@@H]2C1)NCC1CCCCC1 ZINC000329054137 227275855 /nfs/dbraw/zinc/27/58/55/227275855.db2.gz SBZOMIAWPFMJOF-CQSZACIVSA-N 1 2 293.411 1.830 20 30 CDEDLO Cc1nc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)n[nH]1 ZINC000329184089 227343668 /nfs/dbraw/zinc/34/36/68/227343668.db2.gz FUHVSBSAYCTNET-KWQFWETISA-N 1 2 263.345 1.757 20 30 CDEDLO Cc1nc([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CC2)n[nH]1 ZINC000329184089 227343674 /nfs/dbraw/zinc/34/36/74/227343674.db2.gz FUHVSBSAYCTNET-KWQFWETISA-N 1 2 263.345 1.757 20 30 CDEDLO CO[C@]1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCOC1 ZINC000329735133 227931075 /nfs/dbraw/zinc/93/10/75/227931075.db2.gz KSGHTUXFXNDJKZ-RISCZKNCSA-N 1 2 279.340 1.208 20 30 CDEDLO [O-]C(N[C@@H]1CCSC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000329967343 228001010 /nfs/dbraw/zinc/00/10/10/228001010.db2.gz WCPPCBLDOCFHLB-NXEZZACHSA-N 1 2 266.370 1.207 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1CCSC1 ZINC000329967343 228001012 /nfs/dbraw/zinc/00/10/12/228001012.db2.gz WCPPCBLDOCFHLB-NXEZZACHSA-N 1 2 266.370 1.207 20 30 CDEDLO Cc1ccncc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330306007 228121788 /nfs/dbraw/zinc/12/17/88/228121788.db2.gz LCTJEXFOHCHZNW-LLVKDONJSA-N 1 2 256.309 1.906 20 30 CDEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C1(O)CCCCC1 ZINC000330286893 228093716 /nfs/dbraw/zinc/09/37/16/228093716.db2.gz AWPGPSIYIVXSFD-NSHDSACASA-N 1 2 263.341 1.850 20 30 CDEDLO C[C@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)[NH+]1CCOCC1 ZINC000333250036 228194798 /nfs/dbraw/zinc/19/47/98/228194798.db2.gz YBKUKKRHYVSPLT-CJNGLKHVSA-N 1 2 291.395 1.297 20 30 CDEDLO C#CCN(CC#C)C(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000490719386 261192293 /nfs/dbraw/zinc/19/22/93/261192293.db2.gz MJMDMLBKBZRWNC-UHFFFAOYSA-N 1 2 265.316 1.590 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)N1CCC(C#N)CC1)[NH+]1CCOCC1 ZINC000105298209 261357475 /nfs/dbraw/zinc/35/74/75/261357475.db2.gz MVHINBUCTIISQA-QWHCGFSZSA-N 1 2 294.399 1.041 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCN(CC#N)CC1 ZINC000174348151 261567783 /nfs/dbraw/zinc/56/77/83/261567783.db2.gz VHVPOFMCHISRGT-UHFFFAOYSA-N 1 2 297.362 1.013 20 30 CDEDLO COC[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c1ccco1 ZINC000184540307 262022801 /nfs/dbraw/zinc/02/28/01/262022801.db2.gz FDZQVRJQHPRSLI-DOMZBBRYSA-N 1 2 293.367 1.611 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000491820593 262099969 /nfs/dbraw/zinc/09/99/69/262099969.db2.gz YCGJMKHMUWXUQQ-GFCCVEGCSA-N 1 2 287.363 1.280 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000491820593 262099970 /nfs/dbraw/zinc/09/99/70/262099970.db2.gz YCGJMKHMUWXUQQ-GFCCVEGCSA-N 1 2 287.363 1.280 20 30 CDEDLO CO[C@H](C)CO[NH+]=C(N)COc1cccc(F)c1 ZINC000186833024 262111881 /nfs/dbraw/zinc/11/18/81/262111881.db2.gz UFPVZOAUSABDFF-SECBINFHSA-N 1 2 256.277 1.528 20 30 CDEDLO COC[C@H](C)O[NH+]=C(N)COc1ccccc1F ZINC000186865134 262113755 /nfs/dbraw/zinc/11/37/55/262113755.db2.gz WGCZTMQPSXRQKW-VIFPVBQESA-N 1 2 256.277 1.528 20 30 CDEDLO COCCOCCOCCC/[NH+]=C/c1cccc(O)c1O ZINC000274430013 263024197 /nfs/dbraw/zinc/02/41/97/263024197.db2.gz FYSVXIBGAKJTKK-FOWTUZBSSA-N 1 2 297.351 1.586 20 30 CDEDLO NC(Cc1ccccc1Cl)=[NH+]OC[C@H]1CNC(=O)O1 ZINC000282258073 263075351 /nfs/dbraw/zinc/07/53/51/263075351.db2.gz NLRSEFXWQJKZSU-SECBINFHSA-N 1 2 283.715 1.280 20 30 CDEDLO COc1cc(C#N)ccc1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000283989093 263085311 /nfs/dbraw/zinc/08/53/11/263085311.db2.gz GYNLKPZNOBDGGA-GFCCVEGCSA-N 1 2 275.308 1.535 20 30 CDEDLO C[C@H](O[NH+]=C(N)[C@H]1CCCO1)C(=O)Nc1ccccc1 ZINC000284591690 263087537 /nfs/dbraw/zinc/08/75/37/263087537.db2.gz YAYRLWHDWKXVHN-CMPLNLGQSA-N 1 2 277.324 1.481 20 30 CDEDLO N#C[C@@H]1C[N@@H+]([C@H]2CCCCNC2=O)C[C@H]1c1ccccc1 ZINC000292293697 263130624 /nfs/dbraw/zinc/13/06/24/263130624.db2.gz CQJRBSNWFXZVOE-PMPSAXMXSA-N 1 2 283.375 1.894 20 30 CDEDLO N#C[C@@H]1C[N@H+]([C@H]2CCCCNC2=O)C[C@H]1c1ccccc1 ZINC000292293697 263130625 /nfs/dbraw/zinc/13/06/25/263130625.db2.gz CQJRBSNWFXZVOE-PMPSAXMXSA-N 1 2 283.375 1.894 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2cc(=O)c(O)co2)CC1 ZINC000341977629 263368650 /nfs/dbraw/zinc/36/86/50/263368650.db2.gz MHWGZTIXHDBTED-UHFFFAOYSA-N 1 2 278.308 1.098 20 30 CDEDLO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2ccc(C#N)cc2)C1 ZINC000330708720 264019819 /nfs/dbraw/zinc/01/98/19/264019819.db2.gz NJIFOMLUXAUFGI-CQSZACIVSA-N 1 2 287.367 1.130 20 30 CDEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2ccc(C#N)cc2)C1 ZINC000330708720 264019822 /nfs/dbraw/zinc/01/98/22/264019822.db2.gz NJIFOMLUXAUFGI-CQSZACIVSA-N 1 2 287.367 1.130 20 30 CDEDLO CCc1nc(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)co1 ZINC000330795485 264040155 /nfs/dbraw/zinc/04/01/55/264040155.db2.gz DNTZKIKMUCFMCZ-ZDUSSCGKSA-N 1 2 295.383 1.898 20 30 CDEDLO CC(C)OCCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330855613 264069636 /nfs/dbraw/zinc/06/96/36/264069636.db2.gz RYXCKBNXSRBHIG-CQSZACIVSA-N 1 2 293.367 1.874 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cn(C(C)(C)C)nn1 ZINC000331083034 264117558 /nfs/dbraw/zinc/11/75/58/264117558.db2.gz PDKCYABJFABSBV-SNVBAGLBSA-N 1 2 276.344 1.623 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000331267356 264168023 /nfs/dbraw/zinc/16/80/23/264168023.db2.gz JKKUFPDIKBWYSB-OAHLLOKOSA-N 1 2 291.399 1.025 20 30 CDEDLO Cc1cc(C)c(NC(=O)NCC(=O)NC(C)C)c(C)[nH+]1 ZINC000331337233 264193496 /nfs/dbraw/zinc/19/34/96/264193496.db2.gz QSHXTMQGYPOPCS-UHFFFAOYSA-N 1 2 278.356 1.857 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000424856278 264232549 /nfs/dbraw/zinc/23/25/49/264232549.db2.gz POBROVAIZLSSLA-CYBMUJFWSA-N 1 2 268.401 1.768 20 30 CDEDLO C=C[C@@H](O)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000665151077 424442159 /nfs/dbraw/zinc/44/21/59/424442159.db2.gz OORMHHBHRLOUSZ-YXMGTMDOSA-N 1 2 286.375 1.391 20 30 CDEDLO CC#CCn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000363264025 267082716 /nfs/dbraw/zinc/08/27/16/267082716.db2.gz GZIDFLMWRRFXGD-HNNXBMFYSA-N 1 2 297.362 1.270 20 30 CDEDLO CC#CCn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000363264025 267082718 /nfs/dbraw/zinc/08/27/18/267082718.db2.gz GZIDFLMWRRFXGD-HNNXBMFYSA-N 1 2 297.362 1.270 20 30 CDEDLO C=CCSCCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000367903111 267125895 /nfs/dbraw/zinc/12/58/95/267125895.db2.gz ZUXUTGQJFGLDDP-UHFFFAOYSA-N 1 2 266.370 1.328 20 30 CDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1[nH+]ccn1C ZINC000264355590 267199567 /nfs/dbraw/zinc/19/95/67/267199567.db2.gz XVWAQMFMRZYYGD-NSHDSACASA-N 1 2 284.319 1.375 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000368899671 267212205 /nfs/dbraw/zinc/21/22/05/267212205.db2.gz MHLWGPORZRXDGE-GFCCVEGCSA-N 1 2 272.776 1.452 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000368899671 267212208 /nfs/dbraw/zinc/21/22/08/267212208.db2.gz MHLWGPORZRXDGE-GFCCVEGCSA-N 1 2 272.776 1.452 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000333227928 276918932 /nfs/dbraw/zinc/91/89/32/276918932.db2.gz XMPDJDYOGCCYDL-LPWJVIDDSA-N 1 2 290.367 1.922 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C ZINC000355446019 277782815 /nfs/dbraw/zinc/78/28/15/277782815.db2.gz UTDUMTBSMFXXFA-KKUMJFAQSA-N 1 2 280.412 1.910 20 30 CDEDLO C[C@H]1COCC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000223151084 280095077 /nfs/dbraw/zinc/09/50/77/280095077.db2.gz RTOBFXCLMNFQIN-GXTWGEPZSA-N 1 2 276.336 1.019 20 30 CDEDLO C[C@H]1COCC[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000223151084 280095080 /nfs/dbraw/zinc/09/50/80/280095080.db2.gz RTOBFXCLMNFQIN-GXTWGEPZSA-N 1 2 276.336 1.019 20 30 CDEDLO C[C@@H]1C[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 ZINC000028710144 288249481 /nfs/dbraw/zinc/24/94/81/288249481.db2.gz RTFLLRLDIRHPTR-XJKCOSOUSA-N 1 2 299.374 1.773 20 30 CDEDLO N#Cc1ccc(C(=O)NCCn2cc[nH+]c2)cc1Cl ZINC000153761006 289181081 /nfs/dbraw/zinc/18/10/81/289181081.db2.gz FMAPGCAVJKQEMJ-UHFFFAOYSA-N 1 2 274.711 1.838 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccnc(C#N)n1)CCC2 ZINC000571657830 294481327 /nfs/dbraw/zinc/48/13/27/294481327.db2.gz SILFFCZGGUHSMK-LLVKDONJSA-N 1 2 268.324 1.265 20 30 CDEDLO O=C(N[C@H]1CCCSC1)N1CCn2cc[nH+]c2C1 ZINC000330140555 295386983 /nfs/dbraw/zinc/38/69/83/295386983.db2.gz XBAUXYCULGNSOE-JTQLQIEISA-N 1 2 266.370 1.508 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCCC[C@H]2c2nc(=O)[nH][nH]2)c1 ZINC000289315790 303203688 /nfs/dbraw/zinc/20/36/88/303203688.db2.gz JOSSULYSIRGKIW-ZDUSSCGKSA-N 1 2 283.335 1.697 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2c2nc(=O)[nH][nH]2)c1 ZINC000289315790 303203690 /nfs/dbraw/zinc/20/36/90/303203690.db2.gz JOSSULYSIRGKIW-ZDUSSCGKSA-N 1 2 283.335 1.697 20 30 CDEDLO COc1ccccc1[C@H](CO)[NH2+]C[C@@H](C#N)CCC#N ZINC000583630965 328722687 /nfs/dbraw/zinc/72/26/87/328722687.db2.gz CCYCRJGHIOBUED-OCCSQVGLSA-N 1 2 273.336 1.762 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000571049873 327986289 /nfs/dbraw/zinc/98/62/89/327986289.db2.gz LWRUEIPCDPPLMB-AWEZNQCLSA-N 1 2 290.323 1.097 20 30 CDEDLO Cc1nsc(NCC[N@@H+]2CCO[C@@H](C)C2)c1C#N ZINC000575823825 317021920 /nfs/dbraw/zinc/02/19/20/317021920.db2.gz UTIWVWBGQWEITK-VIFPVBQESA-N 1 2 266.370 1.456 20 30 CDEDLO Cc1nsc(NCC[N@H+]2CCO[C@@H](C)C2)c1C#N ZINC000575823825 317021923 /nfs/dbraw/zinc/02/19/23/317021923.db2.gz UTIWVWBGQWEITK-VIFPVBQESA-N 1 2 266.370 1.456 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCCOc1ccccc1 ZINC000571535592 328132238 /nfs/dbraw/zinc/13/22/38/328132238.db2.gz QCCSVUFHJLQNHE-ZDUSSCGKSA-N 1 2 275.352 1.463 20 30 CDEDLO CC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000268386481 328184669 /nfs/dbraw/zinc/18/46/69/328184669.db2.gz PAFPDCPJQGWDLO-SWLSCSKDSA-N 1 2 290.363 1.863 20 30 CDEDLO CC(=O)c1cccc(OC[C@H](O)C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000268386481 328184670 /nfs/dbraw/zinc/18/46/70/328184670.db2.gz PAFPDCPJQGWDLO-SWLSCSKDSA-N 1 2 290.363 1.863 20 30 CDEDLO N#CCC[C@H](C#N)CN1CC[NH+](Cc2ccco2)CC1 ZINC000274166627 328208645 /nfs/dbraw/zinc/20/86/45/328208645.db2.gz AHBUFULYSOQCMZ-CQSZACIVSA-N 1 2 272.352 1.841 20 30 CDEDLO COc1ccncc1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000288754520 328253416 /nfs/dbraw/zinc/25/34/16/328253416.db2.gz YJDDQZRUUCTICN-LLVKDONJSA-N 1 2 251.286 1.058 20 30 CDEDLO Cc1cc[nH+]c(N2CCN(C[C@@H](C#N)CCC#N)CC2)c1 ZINC000164055303 328300887 /nfs/dbraw/zinc/30/08/87/328300887.db2.gz HWRSHCXCCCHLTJ-OAHLLOKOSA-N 1 2 283.379 1.956 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000305173390 328395802 /nfs/dbraw/zinc/39/58/02/328395802.db2.gz USVAUIBGVDKANS-ONGXEEELSA-N 1 2 294.317 1.312 20 30 CDEDLO CCOC(=O)C1(CNc2cc(C)[nH+]cc2C#N)CCC1 ZINC000578999447 324078000 /nfs/dbraw/zinc/07/80/00/324078000.db2.gz DBJQPLXWDFEVTP-UHFFFAOYSA-N 1 2 273.336 1.829 20 30 CDEDLO C[C@@H](C(=O)NCCC(=O)N1CCCCC1)[NH+]1CCOCC1 ZINC000328873944 328459196 /nfs/dbraw/zinc/45/91/96/328459196.db2.gz RIBPJJAFXVGAKD-ZDUSSCGKSA-N 1 2 297.399 1.066 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000047993041 327276480 /nfs/dbraw/zinc/27/64/80/327276480.db2.gz KHUPZXUMNAKXFU-AAEUAGOBSA-N 1 2 269.414 1.478 20 30 CDEDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000330912015 327370731 /nfs/dbraw/zinc/37/07/31/327370731.db2.gz WIALXNRZFWTVHZ-OAHLLOKOSA-N 1 2 292.404 1.762 20 30 CDEDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000330912015 327370732 /nfs/dbraw/zinc/37/07/32/327370732.db2.gz WIALXNRZFWTVHZ-OAHLLOKOSA-N 1 2 292.404 1.762 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000565033874 327404203 /nfs/dbraw/zinc/40/42/03/327404203.db2.gz GYLKILNSMBVWPG-NFAWXSAZSA-N 1 2 289.379 1.543 20 30 CDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CCCC#N ZINC000360613806 328909207 /nfs/dbraw/zinc/90/92/07/328909207.db2.gz VLAPDJOYGMBKPD-STQMWFEESA-N 1 2 265.357 1.002 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC1(C#N)CCC1 ZINC000419652131 329743705 /nfs/dbraw/zinc/74/37/05/329743705.db2.gz XDFVLQYNPRLYAK-CYBMUJFWSA-N 1 2 294.399 1.042 20 30 CDEDLO C[C@@H](Cc1ccccc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000572246425 329958083 /nfs/dbraw/zinc/95/80/83/329958083.db2.gz BCGFJFNXRNSQMU-XJKSGUPXSA-N 1 2 273.380 1.825 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cn(C)nc2C(C)(C)C)nn1 ZINC000424172193 330311886 /nfs/dbraw/zinc/31/18/86/330311886.db2.gz NNCQIJCHOZKFCZ-UHFFFAOYSA-N 1 2 288.399 1.785 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cccc(OC)c2OC)nn1 ZINC000424169602 330312083 /nfs/dbraw/zinc/31/20/83/330312083.db2.gz INABLLWZROVQBZ-UHFFFAOYSA-N 1 2 288.351 1.771 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cccc3c2OCO3)nn1 ZINC000424174067 330313754 /nfs/dbraw/zinc/31/37/54/330313754.db2.gz RAUZEASRELZPQN-UHFFFAOYSA-N 1 2 272.308 1.483 20 30 CDEDLO CC(C)C[C@H](CNC(=O)[C@]1(C#N)C[C@H]1C)[NH+]1CCOCC1 ZINC000448634891 330747230 /nfs/dbraw/zinc/74/72/30/330747230.db2.gz WSANBKMINJNTRK-FMKPAKJESA-N 1 2 293.411 1.399 20 30 CDEDLO C=CC1CC[NH+](Cc2nnn(CC(F)(F)F)n2)CC1 ZINC000440715659 330755067 /nfs/dbraw/zinc/75/50/67/330755067.db2.gz XBAVLEBRBHXEGU-UHFFFAOYSA-N 1 2 275.278 1.633 20 30 CDEDLO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1CC1(C#N)CCC1 ZINC000451064725 331014432 /nfs/dbraw/zinc/01/44/32/331014432.db2.gz XMBQHVHYWRUFDG-ZDUSSCGKSA-N 1 2 284.425 1.969 20 30 CDEDLO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1CC1(C#N)CCC1 ZINC000451064725 331014433 /nfs/dbraw/zinc/01/44/33/331014433.db2.gz XMBQHVHYWRUFDG-ZDUSSCGKSA-N 1 2 284.425 1.969 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccccn1 ZINC000451376803 331026219 /nfs/dbraw/zinc/02/62/19/331026219.db2.gz MNRAZBHOUQWESA-BBRMVZONSA-N 1 2 288.395 1.956 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccn1 ZINC000451376803 331026220 /nfs/dbraw/zinc/02/62/20/331026220.db2.gz MNRAZBHOUQWESA-BBRMVZONSA-N 1 2 288.395 1.956 20 30 CDEDLO CC#CC[N@H+](CCN1CCOCC1)Cc1ccco1 ZINC000452046123 331051931 /nfs/dbraw/zinc/05/19/31/331051931.db2.gz HASPCPUXEQPULP-UHFFFAOYSA-N 1 2 262.353 1.437 20 30 CDEDLO CC#CC[N@@H+](CCN1CCOCC1)Cc1ccco1 ZINC000452046123 331051932 /nfs/dbraw/zinc/05/19/32/331051932.db2.gz HASPCPUXEQPULP-UHFFFAOYSA-N 1 2 262.353 1.437 20 30 CDEDLO CC#CCN(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000452046123 331051933 /nfs/dbraw/zinc/05/19/33/331051933.db2.gz HASPCPUXEQPULP-UHFFFAOYSA-N 1 2 262.353 1.437 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000455315695 331165722 /nfs/dbraw/zinc/16/57/22/331165722.db2.gz CCYQYPYQYSPNCK-GFCCVEGCSA-N 1 2 274.324 1.783 20 30 CDEDLO C=C(C)CCNC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000455323649 331166048 /nfs/dbraw/zinc/16/60/48/331166048.db2.gz KSYNBGHBDKQIFF-ZDUSSCGKSA-N 1 2 291.399 1.764 20 30 CDEDLO C#CCNC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000490670510 332101721 /nfs/dbraw/zinc/10/17/21/332101721.db2.gz MTTCGMHEHKMPJN-UHFFFAOYSA-N 1 2 291.420 1.771 20 30 CDEDLO C#CCNC(=O)[C@H](C)O[NH+]=C(N)c1ccc(Cl)cc1 ZINC000490759701 332113081 /nfs/dbraw/zinc/11/30/81/332113081.db2.gz FEQPWXNSZSDWCM-VIFPVBQESA-N 1 2 279.727 1.115 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cn1cc(C)n(-c2cc(C)on2)c1=O ZINC000491297765 332184756 /nfs/dbraw/zinc/18/47/56/332184756.db2.gz RZGYGZDYZFAMCX-JTQLQIEISA-N 1 2 274.324 1.155 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cn1cc(C)n(-c2cc(C)on2)c1=O ZINC000491297765 332184757 /nfs/dbraw/zinc/18/47/57/332184757.db2.gz RZGYGZDYZFAMCX-JTQLQIEISA-N 1 2 274.324 1.155 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000491513509 332226332 /nfs/dbraw/zinc/22/63/32/332226332.db2.gz CLKKBFXJYKYZLK-WDEREUQCSA-N 1 2 260.341 1.368 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000491513509 332226333 /nfs/dbraw/zinc/22/63/33/332226333.db2.gz CLKKBFXJYKYZLK-WDEREUQCSA-N 1 2 260.341 1.368 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@H](O)Cc1ccc(F)cc1 ZINC000491526508 332230801 /nfs/dbraw/zinc/23/08/01/332230801.db2.gz ZVEHAWXZQDHBDQ-LSDHHAIUSA-N 1 2 263.312 1.063 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](O)Cc1ccc(F)cc1 ZINC000491526508 332230803 /nfs/dbraw/zinc/23/08/03/332230803.db2.gz ZVEHAWXZQDHBDQ-LSDHHAIUSA-N 1 2 263.312 1.063 20 30 CDEDLO C#C[C@@H]1COCCN1c1nc(C)[nH+]c2c1CCCC2 ZINC000491628100 332251444 /nfs/dbraw/zinc/25/14/44/332251444.db2.gz KJEWHXIBTKHEFH-GFCCVEGCSA-N 1 2 257.337 1.502 20 30 CDEDLO C#C[C@H]1COCCN1Cc1cn2c(cccc2C)[nH+]1 ZINC000491633303 332255138 /nfs/dbraw/zinc/25/51/38/332255138.db2.gz PUGVGKBVCYFZFL-AWEZNQCLSA-N 1 2 255.321 1.477 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCCOc1ccc(F)cc1)C1CC1 ZINC000491653541 332266295 /nfs/dbraw/zinc/26/62/95/332266295.db2.gz CQDXHKSWXZZDEX-UHFFFAOYSA-N 1 2 290.338 1.418 20 30 CDEDLO C#CC[N@H+](CC(=O)NCCOc1ccc(F)cc1)C1CC1 ZINC000491653541 332266297 /nfs/dbraw/zinc/26/62/97/332266297.db2.gz CQDXHKSWXZZDEX-UHFFFAOYSA-N 1 2 290.338 1.418 20 30 CDEDLO C#CCN(CC#CC)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000491658298 332269336 /nfs/dbraw/zinc/26/93/36/332269336.db2.gz HJWGEYBACROBTI-CHWSQXEVSA-N 1 2 270.336 1.557 20 30 CDEDLO C#C[C@H](CC)NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000491699929 332294611 /nfs/dbraw/zinc/29/46/11/332294611.db2.gz JUOBHJKDMKSMLL-ZJUUUORDSA-N 1 2 287.285 1.984 20 30 CDEDLO C#C[C@H](CCC)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000491745826 332323565 /nfs/dbraw/zinc/32/35/65/332323565.db2.gz YZLDYNAWWFBIDK-NEPJUHHUSA-N 1 2 260.341 1.299 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)Nc1ccc(C)cn1 ZINC000491749068 332326142 /nfs/dbraw/zinc/32/61/42/332326142.db2.gz PJPHSVDFYZAUDC-ZDUSSCGKSA-N 1 2 273.336 1.053 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(C)cn1 ZINC000491749068 332326144 /nfs/dbraw/zinc/32/61/44/332326144.db2.gz PJPHSVDFYZAUDC-ZDUSSCGKSA-N 1 2 273.336 1.053 20 30 CDEDLO C#C[C@H](C)N(C)c1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000491752077 332328208 /nfs/dbraw/zinc/32/82/08/332328208.db2.gz YXPMOLTVZUDDBM-RWMBFGLXSA-N 1 2 274.368 1.142 20 30 CDEDLO C#C[C@H](C)N(C)c1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000491752077 332328209 /nfs/dbraw/zinc/32/82/09/332328209.db2.gz YXPMOLTVZUDDBM-RWMBFGLXSA-N 1 2 274.368 1.142 20 30 CDEDLO C#C[C@@H](NC(=O)NCc1[nH+]ccn1C)c1ccc(F)cc1 ZINC000491770115 332337034 /nfs/dbraw/zinc/33/70/34/332337034.db2.gz LVISBWFYKUMWNS-CYBMUJFWSA-N 1 2 286.310 1.733 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)NCCCCn1cc[nH+]c1 ZINC000491773530 332339529 /nfs/dbraw/zinc/33/95/29/332339529.db2.gz RVZSPNGAHFTWHZ-ZDUSSCGKSA-N 1 2 262.357 1.764 20 30 CDEDLO C#C[C@H]1COCCN1Cc1c[nH+]c2c(C)cccn12 ZINC000491805555 332359010 /nfs/dbraw/zinc/35/90/10/332359010.db2.gz OIVYUJGYCAGKKU-ZDUSSCGKSA-N 1 2 255.321 1.477 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)/C=C\c1[nH+]ccn1CC ZINC000493858735 332456753 /nfs/dbraw/zinc/45/67/53/332456753.db2.gz PLRMOIMXBDNEJI-DUVUQDDDSA-N 1 2 261.325 1.376 20 30 CDEDLO CC(=O)Cc1ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000575806602 335117324 /nfs/dbraw/zinc/11/73/24/335117324.db2.gz KAVLKWPNGSWNOG-OAHLLOKOSA-N 1 2 290.363 1.403 20 30 CDEDLO CC(=O)Cc1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000575806602 335117325 /nfs/dbraw/zinc/11/73/25/335117325.db2.gz KAVLKWPNGSWNOG-OAHLLOKOSA-N 1 2 290.363 1.403 20 30 CDEDLO C=CCOc1ccc(CC(=O)NCCc2c[nH+]cn2C)cc1 ZINC000517503349 333100846 /nfs/dbraw/zinc/10/08/46/333100846.db2.gz XNZRUIBCTCQBKV-UHFFFAOYSA-N 1 2 299.374 1.886 20 30 CDEDLO CCC[C@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523283067 333314396 /nfs/dbraw/zinc/31/43/96/333314396.db2.gz QOMMPOVLVGBJAD-SNVBAGLBSA-N 1 2 270.296 1.084 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1coc(S(C)(=O)=O)c1 ZINC000528520852 333444006 /nfs/dbraw/zinc/44/40/06/333444006.db2.gz ODQCFJMQSHCXNX-SNVBAGLBSA-N 1 2 256.327 1.465 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000576169555 335164030 /nfs/dbraw/zinc/16/40/30/335164030.db2.gz KMCCTOGTXLAKAX-SNVBAGLBSA-N 1 2 276.296 1.815 20 30 CDEDLO C=CCOCCC[N@@H+](C)Cc1nnc2n1CCC2 ZINC000547767593 334115952 /nfs/dbraw/zinc/11/59/52/334115952.db2.gz PFXICEMRWGVOIU-UHFFFAOYSA-N 1 2 250.346 1.249 20 30 CDEDLO C=CCOCCC[N@H+](C)Cc1nnc2n1CCC2 ZINC000547767593 334115954 /nfs/dbraw/zinc/11/59/54/334115954.db2.gz PFXICEMRWGVOIU-UHFFFAOYSA-N 1 2 250.346 1.249 20 30 CDEDLO CN(CC(F)(F)F)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081044710 334177254 /nfs/dbraw/zinc/17/72/54/334177254.db2.gz NNCCTPHUDBHUED-UHFFFAOYSA-N 1 2 277.290 1.633 20 30 CDEDLO CN(CC(F)(F)F)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081044710 334177255 /nfs/dbraw/zinc/17/72/55/334177255.db2.gz NNCCTPHUDBHUED-UHFFFAOYSA-N 1 2 277.290 1.633 20 30 CDEDLO C=CCNc1ncc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)s1 ZINC000565550704 334573977 /nfs/dbraw/zinc/57/39/77/334573977.db2.gz RVUOTATWESDJMU-MRVPVSSYSA-N 1 2 277.353 1.377 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1ccccc1 ZINC000572695622 334871975 /nfs/dbraw/zinc/87/19/75/334871975.db2.gz FXCLELVQQKSOGK-AWEZNQCLSA-N 1 2 261.325 1.025 20 30 CDEDLO C#CCCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1cccnc1 ZINC001754481329 1159231366 /nfs/dbraw/zinc/23/13/66/1159231366.db2.gz UDYGYMJAUQJKNP-HNNXBMFYSA-N 1 2 271.364 1.576 20 30 CDEDLO C#CCCCC(=O)NC[C@@H]1CC[N@H+]1Cc1cccnc1 ZINC001754481329 1159231372 /nfs/dbraw/zinc/23/13/72/1159231372.db2.gz UDYGYMJAUQJKNP-HNNXBMFYSA-N 1 2 271.364 1.576 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)N(CC#N)CC#N ZINC000195160621 336047452 /nfs/dbraw/zinc/04/74/52/336047452.db2.gz NWHZWWXCBHZQAD-UHFFFAOYSA-N 1 2 267.292 1.220 20 30 CDEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H](F)c2ccccc2)C1 ZINC001754775049 1159453685 /nfs/dbraw/zinc/45/36/85/1159453685.db2.gz GNLFRCJAYBBTIR-AWEZNQCLSA-N 1 2 292.354 1.436 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001481173584 1159547878 /nfs/dbraw/zinc/54/78/78/1159547878.db2.gz WMHULCIASPWHRU-UHFFFAOYSA-N 1 2 296.758 1.129 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001481173584 1159547883 /nfs/dbraw/zinc/54/78/83/1159547883.db2.gz WMHULCIASPWHRU-UHFFFAOYSA-N 1 2 296.758 1.129 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cccn1C ZINC001700472373 1176963046 /nfs/dbraw/zinc/96/30/46/1176963046.db2.gz FGJYYXQRQXHDMQ-NSHDSACASA-N 1 2 269.776 1.828 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cccn1C ZINC001700472373 1176963054 /nfs/dbraw/zinc/96/30/54/1176963054.db2.gz FGJYYXQRQXHDMQ-NSHDSACASA-N 1 2 269.776 1.828 20 30 CDEDLO Cc1cc(NC(=O)CCc2[nH+]ccn2C)n(CCC#N)n1 ZINC001772410824 1160432498 /nfs/dbraw/zinc/43/24/98/1160432498.db2.gz OWFPZTSSLPTLFE-UHFFFAOYSA-N 1 2 286.339 1.410 20 30 CDEDLO C=C[C@](C)(O)C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000668448785 482441905 /nfs/dbraw/zinc/44/19/05/482441905.db2.gz VXOBKMSOIKWFMU-AWEZNQCLSA-N 1 2 259.309 1.196 20 30 CDEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000677479399 482681835 /nfs/dbraw/zinc/68/18/35/482681835.db2.gz OJQIUGOTEKURQV-AWEZNQCLSA-N 1 2 286.375 1.952 20 30 CDEDLO C=CC[N@@H+](Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000679396108 483357764 /nfs/dbraw/zinc/35/77/64/483357764.db2.gz PNWHLTNHKRBMEX-ZDUSSCGKSA-N 1 2 281.377 1.567 20 30 CDEDLO C=CC[N@H+](Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000679396108 483357767 /nfs/dbraw/zinc/35/77/67/483357767.db2.gz PNWHLTNHKRBMEX-ZDUSSCGKSA-N 1 2 281.377 1.567 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cccnc1 ZINC001716468315 1180227263 /nfs/dbraw/zinc/22/72/63/1180227263.db2.gz QBEGWLHSPDUIGP-LLVKDONJSA-N 1 2 267.760 1.884 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cccnc1 ZINC001716468315 1180227266 /nfs/dbraw/zinc/22/72/66/1180227266.db2.gz QBEGWLHSPDUIGP-LLVKDONJSA-N 1 2 267.760 1.884 20 30 CDEDLO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCn3cc[nH+]c32)CCO1 ZINC000329105591 533897315 /nfs/dbraw/zinc/89/73/15/533897315.db2.gz ONHGBTYGPTUYLY-FRRDWIJNSA-N 1 2 292.383 1.832 20 30 CDEDLO C[C@@H]1C[C@H](NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC000329094686 533898145 /nfs/dbraw/zinc/89/81/45/533898145.db2.gz KPKHLDUGFZHBEU-CHWSQXEVSA-N 1 2 299.415 1.168 20 30 CDEDLO C[C@@H]1C[C@H](NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC000329094686 533898153 /nfs/dbraw/zinc/89/81/53/533898153.db2.gz KPKHLDUGFZHBEU-CHWSQXEVSA-N 1 2 299.415 1.168 20 30 CDEDLO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C(F)C(F)(F)F ZINC001755192858 1185849053 /nfs/dbraw/zinc/84/90/53/1185849053.db2.gz MSPPAPRGKXBWLC-NXEZZACHSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](F)C(F)(F)F ZINC001755192858 1185849059 /nfs/dbraw/zinc/84/90/59/1185849059.db2.gz MSPPAPRGKXBWLC-NXEZZACHSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](F)C(F)(F)F ZINC001755192858 1185849064 /nfs/dbraw/zinc/84/90/64/1185849064.db2.gz MSPPAPRGKXBWLC-NXEZZACHSA-N 1 2 282.281 1.996 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)CNc1ccc(C#N)cc1 ZINC000339196042 524785235 /nfs/dbraw/zinc/78/52/35/524785235.db2.gz KSDRKTTXNQFLAW-GFCCVEGCSA-N 1 2 283.335 1.372 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCc2sccc2C1)C1CC1 ZINC000054670494 525737993 /nfs/dbraw/zinc/73/79/93/525737993.db2.gz JBOJAJRDCIQYJQ-HNNXBMFYSA-N 1 2 289.404 1.915 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCc2sccc2C1)C1CC1 ZINC000054670494 525737999 /nfs/dbraw/zinc/73/79/99/525737999.db2.gz JBOJAJRDCIQYJQ-HNNXBMFYSA-N 1 2 289.404 1.915 20 30 CDEDLO C=CCNC(=O)NC(=O)C[NH2+]C1(C(F)F)CCCCC1 ZINC000352214517 526595913 /nfs/dbraw/zinc/59/59/13/526595913.db2.gz ZTQCXKBVOLWURR-UHFFFAOYSA-N 1 2 289.326 1.556 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000364912635 526641511 /nfs/dbraw/zinc/64/15/11/526641511.db2.gz CGGARDMAPAHBKZ-NILFDRSVSA-N 1 2 287.338 1.783 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000364912635 526641515 /nfs/dbraw/zinc/64/15/15/526641515.db2.gz CGGARDMAPAHBKZ-NILFDRSVSA-N 1 2 287.338 1.783 20 30 CDEDLO N#Cc1cccc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000048995726 526730471 /nfs/dbraw/zinc/73/04/71/526730471.db2.gz SKGQDAJOXVWCIE-UHFFFAOYSA-N 1 2 291.376 1.027 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000333098774 526800731 /nfs/dbraw/zinc/80/07/31/526800731.db2.gz UUZMLZCFXOVBHV-YDHLFZDLSA-N 1 2 289.379 1.543 20 30 CDEDLO C=CCOc1ccc(C[NH+]2CC(n3ccnn3)C2)cc1 ZINC000355044635 526866301 /nfs/dbraw/zinc/86/63/01/526866301.db2.gz IDVSWCHZYHIRCC-UHFFFAOYSA-N 1 2 270.336 1.900 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000347644148 527609011 /nfs/dbraw/zinc/60/90/11/527609011.db2.gz LGLXIQUQPYSDRV-UKRRQHHQSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000347644148 527609014 /nfs/dbraw/zinc/60/90/14/527609014.db2.gz LGLXIQUQPYSDRV-UKRRQHHQSA-N 1 2 268.401 1.816 20 30 CDEDLO CC(C)C[C@@H]1COCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000347076483 528392655 /nfs/dbraw/zinc/39/26/55/528392655.db2.gz NNQPSQGPGOVDFO-CYBMUJFWSA-N 1 2 279.384 1.296 20 30 CDEDLO CC(C)C[C@@H]1COCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000347076483 528392658 /nfs/dbraw/zinc/39/26/58/528392658.db2.gz NNQPSQGPGOVDFO-CYBMUJFWSA-N 1 2 279.384 1.296 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000732054991 575077161 /nfs/dbraw/zinc/07/71/61/575077161.db2.gz QJWPCXYEUBGRMZ-HNNXBMFYSA-N 1 2 299.374 1.425 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000732054991 575077162 /nfs/dbraw/zinc/07/71/62/575077162.db2.gz QJWPCXYEUBGRMZ-HNNXBMFYSA-N 1 2 299.374 1.425 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2nnco2)c1 ZINC000732056695 575077855 /nfs/dbraw/zinc/07/78/55/575077855.db2.gz AGRSQNMJUUDBEE-AWEZNQCLSA-N 1 2 296.330 1.773 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2nnco2)c1 ZINC000732056695 575077858 /nfs/dbraw/zinc/07/78/58/575077858.db2.gz AGRSQNMJUUDBEE-AWEZNQCLSA-N 1 2 296.330 1.773 20 30 CDEDLO Cc1[nH]c(C(=O)NCc2ccc(OCC#N)cc2)c[nH+]1 ZINC000732284205 575086749 /nfs/dbraw/zinc/08/67/49/575086749.db2.gz KCSDYOFJDGJCFV-UHFFFAOYSA-N 1 2 270.292 1.551 20 30 CDEDLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000732666991 575093393 /nfs/dbraw/zinc/09/33/93/575093393.db2.gz IILPYJUHZFWGLE-GFCCVEGCSA-N 1 2 296.392 1.454 20 30 CDEDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000732666991 575093394 /nfs/dbraw/zinc/09/33/94/575093394.db2.gz IILPYJUHZFWGLE-GFCCVEGCSA-N 1 2 296.392 1.454 20 30 CDEDLO CC1(C)CC(=NNS(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000761268235 576563997 /nfs/dbraw/zinc/56/39/97/576563997.db2.gz YEHQRRVYWZPAGZ-UHFFFAOYSA-N 1 2 295.408 1.576 20 30 CDEDLO CC1(C)CC(=NNS(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC000761268235 576563999 /nfs/dbraw/zinc/56/39/99/576563999.db2.gz YEHQRRVYWZPAGZ-UHFFFAOYSA-N 1 2 295.408 1.576 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cccc2c1OCCO2 ZINC000743854593 576659031 /nfs/dbraw/zinc/65/90/31/576659031.db2.gz DZURBAODDHAFGH-UHFFFAOYSA-N 1 2 255.317 1.916 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cccc2c1OCCO2 ZINC000743854593 576659034 /nfs/dbraw/zinc/65/90/34/576659034.db2.gz DZURBAODDHAFGH-UHFFFAOYSA-N 1 2 255.317 1.916 20 30 CDEDLO N#Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000734507007 575352976 /nfs/dbraw/zinc/35/29/76/575352976.db2.gz KAWLJRJFVHQYCJ-INIZCTEOSA-N 1 2 290.326 1.746 20 30 CDEDLO C=CC[C@H](NC(=O)NCCn1cc[nH+]c1)c1ccncc1 ZINC000734652538 575369018 /nfs/dbraw/zinc/36/90/18/575369018.db2.gz MAIXNPFAIGOXBT-AWEZNQCLSA-N 1 2 285.351 1.895 20 30 CDEDLO Cc1ccn(C[N@@H+]2CCCC3(CC3)C2)c(=O)c1C#N ZINC000769792875 575384444 /nfs/dbraw/zinc/38/44/44/575384444.db2.gz LHWZQNLWAWCBJI-UHFFFAOYSA-N 1 2 257.337 1.862 20 30 CDEDLO Cc1ccn(C[N@H+]2CCCC3(CC3)C2)c(=O)c1C#N ZINC000769792875 575384445 /nfs/dbraw/zinc/38/44/45/575384445.db2.gz LHWZQNLWAWCBJI-UHFFFAOYSA-N 1 2 257.337 1.862 20 30 CDEDLO C=CCCCCNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000771312751 575566078 /nfs/dbraw/zinc/56/60/78/575566078.db2.gz ZDNASWWGZPBJAM-CYBMUJFWSA-N 1 2 269.389 1.363 20 30 CDEDLO C=CCCCCNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000771312751 575566081 /nfs/dbraw/zinc/56/60/81/575566081.db2.gz ZDNASWWGZPBJAM-CYBMUJFWSA-N 1 2 269.389 1.363 20 30 CDEDLO C=CC[N@H+](CN1C(=O)N[C@H](Cc2ccccc2)C1=O)C1CC1 ZINC000771640421 575599745 /nfs/dbraw/zinc/59/97/45/575599745.db2.gz NBTXSJMVGUJMML-OAHLLOKOSA-N 1 2 299.374 1.757 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)N[C@H](Cc2ccccc2)C1=O)C1CC1 ZINC000771640421 575599746 /nfs/dbraw/zinc/59/97/46/575599746.db2.gz NBTXSJMVGUJMML-OAHLLOKOSA-N 1 2 299.374 1.757 20 30 CDEDLO N#Cc1cc(F)c(C(=O)OCCn2cc[nH+]c2)c(F)c1 ZINC000771993921 575646550 /nfs/dbraw/zinc/64/65/50/575646550.db2.gz NDECPDNYRNQLPC-UHFFFAOYSA-N 1 2 277.230 1.890 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]N[C@H]1CCCCC1(C)C ZINC000773125431 575784965 /nfs/dbraw/zinc/78/49/65/575784965.db2.gz ONQQIVABXULZNT-NSHDSACASA-N 1 2 277.372 1.960 20 30 CDEDLO C#C[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)[C@H]1CCCO1 ZINC000773548223 575823371 /nfs/dbraw/zinc/82/33/71/575823371.db2.gz LMRPVVIREWAHQW-UONOGXRCSA-N 1 2 298.346 1.314 20 30 CDEDLO C[N@H+](CC(=O)[C@@H](C#N)c1ccncn1)[C@@H]1CCSC1 ZINC000774413690 575945189 /nfs/dbraw/zinc/94/51/89/575945189.db2.gz FCPFBGYUQOVQBY-MNOVXSKESA-N 1 2 276.365 1.090 20 30 CDEDLO C[N@@H+](CC(=O)[C@@H](C#N)c1ccncn1)[C@@H]1CCSC1 ZINC000774413690 575945191 /nfs/dbraw/zinc/94/51/91/575945191.db2.gz FCPFBGYUQOVQBY-MNOVXSKESA-N 1 2 276.365 1.090 20 30 CDEDLO C=CCN1CC(=O)N(CCCCn2cc[nH+]c2)C1=O ZINC000761119755 576551282 /nfs/dbraw/zinc/55/12/82/576551282.db2.gz KCXZQFCFVUFNNC-UHFFFAOYSA-N 1 2 262.313 1.114 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CCO)c1cccs1 ZINC000761932535 576606115 /nfs/dbraw/zinc/60/61/15/576606115.db2.gz KRGUFDZAQSOQSF-OLZOCXBDSA-N 1 2 292.404 1.385 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CCO)c1cccs1 ZINC000761932535 576606118 /nfs/dbraw/zinc/60/61/18/576606118.db2.gz KRGUFDZAQSOQSF-OLZOCXBDSA-N 1 2 292.404 1.385 20 30 CDEDLO C#CCCc1noc(-c2ccnc(-n3cc[nH+]c3)c2)n1 ZINC000761999596 576611646 /nfs/dbraw/zinc/61/16/46/576611646.db2.gz QZVXBCQNJGGRHX-UHFFFAOYSA-N 1 2 265.276 1.883 20 30 CDEDLO CCOC(=O)c1cnn(Cc2cc[nH+]c(N(C)C)c2)c1C#N ZINC000762478485 576647747 /nfs/dbraw/zinc/64/77/47/576647747.db2.gz XQNGBGJZCFEQAI-UHFFFAOYSA-N 1 2 299.334 1.441 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)C(F)=C2CCCC2)CC1 ZINC000763033657 576702084 /nfs/dbraw/zinc/70/20/84/576702084.db2.gz RTOQVEBWJHCHRU-UHFFFAOYSA-N 1 2 264.344 1.952 20 30 CDEDLO COC(=O)C(C)(C)[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763539309 576741272 /nfs/dbraw/zinc/74/12/72/576741272.db2.gz PHZKPXODQFUIPM-CYBMUJFWSA-N 1 2 276.336 1.475 20 30 CDEDLO COC(=O)C(C)(C)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763539309 576741275 /nfs/dbraw/zinc/74/12/75/576741275.db2.gz PHZKPXODQFUIPM-CYBMUJFWSA-N 1 2 276.336 1.475 20 30 CDEDLO C#CC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000753902131 576865347 /nfs/dbraw/zinc/86/53/47/576865347.db2.gz APCRMZVVMQYDTO-UHFFFAOYSA-N 1 2 262.740 1.617 20 30 CDEDLO COc1cc(C#N)ccc1OCCO[NH+]=C(N)[C@H](C)OC ZINC000754296576 576890959 /nfs/dbraw/zinc/89/09/59/576890959.db2.gz VKZDUFNDXJWDHT-JTQLQIEISA-N 1 2 293.323 1.479 20 30 CDEDLO CC(C)COC[C@@H]([NH2+]CC(=O)NCCC#N)c1ccco1 ZINC000754300904 576891385 /nfs/dbraw/zinc/89/13/85/576891385.db2.gz GNBNXUTXQTYGKH-CYBMUJFWSA-N 1 2 293.367 1.613 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Cc2ccc3c(c2)COC3)CC1 ZINC000754374587 576893851 /nfs/dbraw/zinc/89/38/51/576893851.db2.gz JYAPAIQNAKPMEV-UHFFFAOYSA-N 1 2 284.359 1.037 20 30 CDEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2cc(C#N)ccc2F)C1 ZINC000748454509 576913378 /nfs/dbraw/zinc/91/33/78/576913378.db2.gz CGLWHPPRWWQKLB-CQSZACIVSA-N 1 2 292.310 1.461 20 30 CDEDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2cc(C#N)ccc2F)C1 ZINC000748454509 576913379 /nfs/dbraw/zinc/91/33/79/576913379.db2.gz CGLWHPPRWWQKLB-CQSZACIVSA-N 1 2 292.310 1.461 20 30 CDEDLO COc1ccccc1NC(=S)NN=Cc1c[nH+]cn1C ZINC000755504597 576947424 /nfs/dbraw/zinc/94/74/24/576947424.db2.gz GBINCIUFPHYBJA-UHFFFAOYSA-N 1 2 289.364 1.749 20 30 CDEDLO Cc1[nH]c[nH+]c1C=NN1C(=S)N=NC1c1ccco1 ZINC000755530968 576948972 /nfs/dbraw/zinc/94/89/72/576948972.db2.gz KFMFLBVYVIHXTR-UHFFFAOYSA-N 1 2 274.309 1.741 20 30 CDEDLO CC(C)C[N@H+](CCC#N)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000755669912 576954552 /nfs/dbraw/zinc/95/45/52/576954552.db2.gz MCVGFUFWYQEAHN-HNNXBMFYSA-N 1 2 276.384 1.667 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000755669912 576954554 /nfs/dbraw/zinc/95/45/54/576954554.db2.gz MCVGFUFWYQEAHN-HNNXBMFYSA-N 1 2 276.384 1.667 20 30 CDEDLO Cc1cccn2c(C=NN=c3cc[nH]c(N(C)C)n3)c[nH+]c12 ZINC000755732620 576957969 /nfs/dbraw/zinc/95/79/69/576957969.db2.gz FLTMLYHDBJMQDT-UHFFFAOYSA-N 1 2 295.350 1.945 20 30 CDEDLO CCC#C[C@@H](C)[NH+]1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000757662621 577049387 /nfs/dbraw/zinc/04/93/87/577049387.db2.gz PNQBISPAIFEICR-CHWSQXEVSA-N 1 2 265.426 1.897 20 30 CDEDLO C#CCCn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000751781397 577065669 /nfs/dbraw/zinc/06/56/69/577065669.db2.gz DKSAZTJJAGONHK-OAHLLOKOSA-N 1 2 297.362 1.270 20 30 CDEDLO C#CCCn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000751781397 577065670 /nfs/dbraw/zinc/06/56/70/577065670.db2.gz DKSAZTJJAGONHK-OAHLLOKOSA-N 1 2 297.362 1.270 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](SC)C(C)(C)C ZINC000751974921 577079726 /nfs/dbraw/zinc/07/97/26/577079726.db2.gz BKGROEVVXWAIDN-QWHCGFSZSA-N 1 2 282.453 1.978 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](SC)C(C)(C)C ZINC000751974921 577079727 /nfs/dbraw/zinc/07/97/27/577079727.db2.gz BKGROEVVXWAIDN-QWHCGFSZSA-N 1 2 282.453 1.978 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@H](C)[C@@H](NC(C)=O)C1 ZINC000964513408 613235384 /nfs/dbraw/zinc/23/53/84/613235384.db2.gz YRUBRCGVXBNDGC-KWQFWETISA-N 1 2 275.190 1.742 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@H](C)[C@@H](NC(C)=O)C1 ZINC000964513408 613235385 /nfs/dbraw/zinc/23/53/85/613235385.db2.gz YRUBRCGVXBNDGC-KWQFWETISA-N 1 2 275.190 1.742 20 30 CDEDLO COC(=O)[C@H]1[C@H](C[N@@H+](CCC#N)C(C)C)C1(F)F ZINC000893958960 618223792 /nfs/dbraw/zinc/22/37/92/618223792.db2.gz GLYWEXANBBDPAD-VHSXEESVSA-N 1 2 260.284 1.665 20 30 CDEDLO C=CC[C@H](C(=O)[O-])[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC001602835082 1175423657 /nfs/dbraw/zinc/42/36/57/1175423657.db2.gz JHKHXQXTTAVAKR-NWDGAFQWSA-N 1 2 263.341 1.629 20 30 CDEDLO C=CC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC001602835082 1175423661 /nfs/dbraw/zinc/42/36/61/1175423661.db2.gz JHKHXQXTTAVAKR-NWDGAFQWSA-N 1 2 263.341 1.629 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(Cl)cn2C)C1 ZINC000950825399 612991574 /nfs/dbraw/zinc/99/15/74/612991574.db2.gz VLQYGSZJOPQIHJ-UHFFFAOYSA-N 1 2 293.798 1.848 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(COC)o2)C1 ZINC000950822145 612991983 /nfs/dbraw/zinc/99/19/83/612991983.db2.gz TWCDKWTZPGHDJT-UHFFFAOYSA-N 1 2 290.363 1.596 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(F)cc2)C1 ZINC000949572594 612992259 /nfs/dbraw/zinc/99/22/59/612992259.db2.gz LORTWHXIAVDLHD-UHFFFAOYSA-N 1 2 274.339 1.995 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2c(F)cncc2F)CC1 ZINC000981254374 613156902 /nfs/dbraw/zinc/15/69/02/613156902.db2.gz MHPVZJHDGAMXKI-UHFFFAOYSA-N 1 2 279.290 1.141 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2c(F)cncc2F)CC1 ZINC000981254374 613156904 /nfs/dbraw/zinc/15/69/04/613156904.db2.gz MHPVZJHDGAMXKI-UHFFFAOYSA-N 1 2 279.290 1.141 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)C=C)C2)C1 ZINC000972503975 613211999 /nfs/dbraw/zinc/21/19/99/613211999.db2.gz KOTOEELFARQALB-MRXNPFEDSA-N 1 2 276.380 1.135 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)C=C)C2)C1 ZINC000972503975 613212000 /nfs/dbraw/zinc/21/20/00/613212000.db2.gz KOTOEELFARQALB-MRXNPFEDSA-N 1 2 276.380 1.135 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3[nH]nnc3c2)C[C@@H]1C ZINC000948026735 613236373 /nfs/dbraw/zinc/23/63/73/613236373.db2.gz SWXHQFYOFLRVFH-WCQYABFASA-N 1 2 297.362 1.174 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3[nH]nnc3c2)C[C@@H]1C ZINC000948026735 613236374 /nfs/dbraw/zinc/23/63/74/613236374.db2.gz SWXHQFYOFLRVFH-WCQYABFASA-N 1 2 297.362 1.174 20 30 CDEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCOC1 ZINC000948894889 613280201 /nfs/dbraw/zinc/28/02/01/613280201.db2.gz RDZQTHFWHFZBMR-WBVHZDCISA-N 1 2 298.386 1.372 20 30 CDEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCOC1 ZINC000948894889 613280202 /nfs/dbraw/zinc/28/02/02/613280202.db2.gz RDZQTHFWHFZBMR-WBVHZDCISA-N 1 2 298.386 1.372 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(N(C)C)ccn2)CC1 ZINC000957876798 613320332 /nfs/dbraw/zinc/32/03/32/613320332.db2.gz WFNIDTFKQLGEFE-UHFFFAOYSA-N 1 2 288.395 1.482 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2nnn(CC)c2CC)CC1 ZINC000950462091 613322249 /nfs/dbraw/zinc/32/22/49/613322249.db2.gz MZWCLMARMKDNML-UHFFFAOYSA-N 1 2 291.399 1.194 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cncs2)C1 ZINC000969359360 613372036 /nfs/dbraw/zinc/37/20/36/613372036.db2.gz QRWMXHIIEQAPLY-SECBINFHSA-N 1 2 285.800 1.946 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C2CC(OC)C2)CC1 ZINC000981405946 613373130 /nfs/dbraw/zinc/37/31/30/613373130.db2.gz GBVYNZJMQVWTPS-UHFFFAOYSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C2CC(OC)C2)CC1 ZINC000981405946 613373131 /nfs/dbraw/zinc/37/31/31/613373131.db2.gz GBVYNZJMQVWTPS-UHFFFAOYSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]2OCC)CC1 ZINC000980748259 613373918 /nfs/dbraw/zinc/37/39/18/613373918.db2.gz GOIIDMQMVBSCDT-STQMWFEESA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2OCC)CC1 ZINC000980748259 613373919 /nfs/dbraw/zinc/37/39/19/613373919.db2.gz GOIIDMQMVBSCDT-STQMWFEESA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2nnc[nH]2)C[C@H]1C ZINC000947821338 613377325 /nfs/dbraw/zinc/37/73/25/613377325.db2.gz TVHNOKBDZCDDOF-NXEZZACHSA-N 1 2 283.763 1.140 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2nnc[nH]2)C[C@H]1C ZINC000947821338 613377326 /nfs/dbraw/zinc/37/73/26/613377326.db2.gz TVHNOKBDZCDDOF-NXEZZACHSA-N 1 2 283.763 1.140 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC000968471606 613377729 /nfs/dbraw/zinc/37/77/29/613377729.db2.gz IAUUSFNYDRJQGP-JQWIXIFHSA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC000968471606 613377730 /nfs/dbraw/zinc/37/77/30/613377730.db2.gz IAUUSFNYDRJQGP-JQWIXIFHSA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000967776776 613377799 /nfs/dbraw/zinc/37/77/99/613377799.db2.gz IFCBRRVOQDRXRT-DDNMXHNFSA-N 1 2 298.814 1.458 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000967776776 613377800 /nfs/dbraw/zinc/37/78/00/613377800.db2.gz IFCBRRVOQDRXRT-DDNMXHNFSA-N 1 2 298.814 1.458 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1c(F)cncc1F ZINC000804825954 617336956 /nfs/dbraw/zinc/33/69/56/617336956.db2.gz KPMGMDOFHGEIDD-MFKMUULPSA-N 1 2 293.317 1.635 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1c(F)cncc1F ZINC000804825954 617336957 /nfs/dbraw/zinc/33/69/57/617336957.db2.gz KPMGMDOFHGEIDD-MFKMUULPSA-N 1 2 293.317 1.635 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000981992879 613462932 /nfs/dbraw/zinc/46/29/32/613462932.db2.gz NPAKEHYMMFVYHO-OLZOCXBDSA-N 1 2 270.348 1.081 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](CCF)CC1 ZINC000981992879 613462935 /nfs/dbraw/zinc/46/29/35/613462935.db2.gz NPAKEHYMMFVYHO-OLZOCXBDSA-N 1 2 270.348 1.081 20 30 CDEDLO C=CCC[NH+]1CCN(C(=O)c2cccc3[nH]cnc32)CC1 ZINC000952374374 613510845 /nfs/dbraw/zinc/51/08/45/613510845.db2.gz FOWQNQNTZVIONY-UHFFFAOYSA-N 1 2 284.363 1.897 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H]2CCC(C)(C)CO2)CC1 ZINC000949358064 613563300 /nfs/dbraw/zinc/56/33/00/613563300.db2.gz YYFGBONWUHZLJS-OAHLLOKOSA-N 1 2 292.423 1.749 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](F)C(C)C)C2)C1 ZINC000972501099 613571227 /nfs/dbraw/zinc/57/12/27/613571227.db2.gz AJZWCTKYGKGIFL-GOEBONIOSA-N 1 2 296.386 1.307 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](F)C(C)C)C2)C1 ZINC000972501099 613571228 /nfs/dbraw/zinc/57/12/28/613571228.db2.gz AJZWCTKYGKGIFL-GOEBONIOSA-N 1 2 296.386 1.307 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ncccc2O)C(C)(C)C1 ZINC000974492697 613612330 /nfs/dbraw/zinc/61/23/30/613612330.db2.gz UCRNHJRNTYHNER-CYBMUJFWSA-N 1 2 287.363 1.251 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ncccc2O)C(C)(C)C1 ZINC000974492697 613612332 /nfs/dbraw/zinc/61/23/32/613612332.db2.gz UCRNHJRNTYHNER-CYBMUJFWSA-N 1 2 287.363 1.251 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[C@H]2OC)C1 ZINC000957445553 613655451 /nfs/dbraw/zinc/65/54/51/613655451.db2.gz OWOGUZKQUTZGHD-LSDHHAIUSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CC[N@H+]1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000981207755 613693350 /nfs/dbraw/zinc/69/33/50/613693350.db2.gz WHVSITQDGISJPL-VIFPVBQESA-N 1 2 268.254 1.607 20 30 CDEDLO C=CC[N@@H+]1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000981207755 613693351 /nfs/dbraw/zinc/69/33/51/613693351.db2.gz WHVSITQDGISJPL-VIFPVBQESA-N 1 2 268.254 1.607 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc(C)s2)CC1 ZINC000957771900 613709337 /nfs/dbraw/zinc/70/93/37/613709337.db2.gz STSHLZZJCIMYRZ-UHFFFAOYSA-N 1 2 264.394 1.929 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](c2cccnc2)N(C)C)CC1 ZINC000957805421 613710559 /nfs/dbraw/zinc/71/05/59/613710559.db2.gz VZFAWPFDDDLOBH-OAHLLOKOSA-N 1 2 288.395 1.015 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)n2c(C)ccc2C)CC1 ZINC000957773292 613710784 /nfs/dbraw/zinc/71/07/84/613710784.db2.gz LYGFNVDENNOONU-OAHLLOKOSA-N 1 2 275.396 1.996 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000957084568 613711105 /nfs/dbraw/zinc/71/11/05/613711105.db2.gz LMOOPQACPVJGRT-HUUCEWRRSA-N 1 2 280.412 1.768 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCO[C@H]2C(=C)C)CC1 ZINC000951710541 613713479 /nfs/dbraw/zinc/71/34/79/613713479.db2.gz QOJJUTOZJUCRGN-KBPBESRZSA-N 1 2 264.369 1.298 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]c3ncccc23)CC1 ZINC000957683491 613714605 /nfs/dbraw/zinc/71/46/05/613714605.db2.gz TXVFEPALTSJLQW-UHFFFAOYSA-N 1 2 270.336 1.507 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933396132 617415054 /nfs/dbraw/zinc/41/50/54/617415054.db2.gz RMUGISNSGGHNSO-CYBMUJFWSA-N 1 2 289.379 1.808 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933396132 617415058 /nfs/dbraw/zinc/41/50/58/617415058.db2.gz RMUGISNSGGHNSO-CYBMUJFWSA-N 1 2 289.379 1.808 20 30 CDEDLO C#CC[NH+]1CCN(c2cc(C(F)F)ncn2)CC1 ZINC000891679509 617535270 /nfs/dbraw/zinc/53/52/70/617535270.db2.gz WYXCLTHOWODQOM-UHFFFAOYSA-N 1 2 252.268 1.169 20 30 CDEDLO C=CCCN(C)c1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000893409084 617848560 /nfs/dbraw/zinc/84/85/60/617848560.db2.gz NRQLLHFZADYEIT-NSHDSACASA-N 1 2 250.346 1.672 20 30 CDEDLO C=CCCN(C)c1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000893409084 617848562 /nfs/dbraw/zinc/84/85/62/617848562.db2.gz NRQLLHFZADYEIT-NSHDSACASA-N 1 2 250.346 1.672 20 30 CDEDLO C#CCCCCNc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000892898415 617877991 /nfs/dbraw/zinc/87/79/91/617877991.db2.gz FBSOGNLGPSZIOW-GFCCVEGCSA-N 1 2 262.357 1.875 20 30 CDEDLO C#CCCCCNc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000892898415 617877994 /nfs/dbraw/zinc/87/79/94/617877994.db2.gz FBSOGNLGPSZIOW-GFCCVEGCSA-N 1 2 262.357 1.875 20 30 CDEDLO C#Cc1cccc(C[NH2+][C@@H](C)c2cc(CO)on2)c1 ZINC000926550966 618049280 /nfs/dbraw/zinc/04/92/80/618049280.db2.gz PTOQRTMJJZQDPY-NSHDSACASA-N 1 2 256.305 1.999 20 30 CDEDLO COC(=O)[C@H]1[C@H](C[N@H+](CCC#N)C(C)C)C1(F)F ZINC000893958960 618223788 /nfs/dbraw/zinc/22/37/88/618223788.db2.gz GLYWEXANBBDPAD-VHSXEESVSA-N 1 2 260.284 1.665 20 30 CDEDLO CCOc1cccc(/C=[NH+]/CCCC(N)=O)c1O ZINC000044009583 618281147 /nfs/dbraw/zinc/28/11/47/618281147.db2.gz PMMXWVFKEYRBJZ-OQLLNIDSSA-N 1 2 250.298 1.475 20 30 CDEDLO C=C[C@](C)(O)C(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910777092 618498219 /nfs/dbraw/zinc/49/82/19/618498219.db2.gz JBYQSDLXRONOHO-INIZCTEOSA-N 1 2 286.375 1.410 20 30 CDEDLO C=C[C@](C)(O)C(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910777092 618498221 /nfs/dbraw/zinc/49/82/21/618498221.db2.gz JBYQSDLXRONOHO-INIZCTEOSA-N 1 2 286.375 1.410 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(=O)OC ZINC000894192249 618678755 /nfs/dbraw/zinc/67/87/55/618678755.db2.gz IZZATGOIYBSZSE-GXYBRJDSSA-N 1 2 295.379 1.134 20 30 CDEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@@H](SC)C1)C(=O)OC ZINC000894859913 619105328 /nfs/dbraw/zinc/10/53/28/619105328.db2.gz YPEQHPWVEYWLKJ-TUAOUCFPSA-N 1 2 255.383 1.815 20 30 CDEDLO CC(C)(C)c1cnc(C[NH2+][C@H]2CCCN(O)C2=O)s1 ZINC000895162392 619382157 /nfs/dbraw/zinc/38/21/57/619382157.db2.gz YNYBFDFIQXAGJW-VIFPVBQESA-N 1 2 283.397 1.910 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928643427 620298718 /nfs/dbraw/zinc/29/87/18/620298718.db2.gz CSIBALWVRJDWEI-DZGCQCFKSA-N 1 2 268.401 1.816 20 30 CDEDLO Cc1[nH]c(CNC(=O)c2ccc(C#N)n2C)[nH+]c1C ZINC000896910832 620301462 /nfs/dbraw/zinc/30/14/62/620301462.db2.gz ZMPFADYIZRWDGO-UHFFFAOYSA-N 1 2 257.297 1.167 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[NH+](CCOC)CC2)cc1 ZINC000900683572 623370809 /nfs/dbraw/zinc/37/08/09/623370809.db2.gz COAJKGZZJOIVPH-UHFFFAOYSA-N 1 2 272.348 1.072 20 30 CDEDLO CCn1c[nH+]cc1/C=C1\CCc2nn(C)cc2C1=O ZINC000901508229 624309740 /nfs/dbraw/zinc/30/97/40/624309740.db2.gz POYXVFZYWAIYNM-UXBLZVDNSA-N 1 2 256.309 1.849 20 30 CDEDLO C[NH+](C)Cc1cnc(/C=C2/Cn3ccnc3C2=O)s1 ZINC000901513259 624328511 /nfs/dbraw/zinc/32/85/11/624328511.db2.gz RVXKSXCKZGFQTF-UITAMQMPSA-N 1 2 274.349 1.681 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccccc2NC)nn1 ZINC000902608344 625018186 /nfs/dbraw/zinc/01/81/86/625018186.db2.gz VGBRXHNYKJJIND-UHFFFAOYSA-N 1 2 257.341 1.796 20 30 CDEDLO COc1cccc(NC[C@@H](O)C[N@H+](C)CCC#N)c1OC ZINC000905465581 626828769 /nfs/dbraw/zinc/82/87/69/626828769.db2.gz QWDTXZHKJGQSEK-GFCCVEGCSA-N 1 2 293.367 1.322 20 30 CDEDLO COc1cccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c1OC ZINC000905465581 626828770 /nfs/dbraw/zinc/82/87/70/626828770.db2.gz QWDTXZHKJGQSEK-GFCCVEGCSA-N 1 2 293.367 1.322 20 30 CDEDLO C#CC[N@H+](CN1C(=O)C(=O)N(C2CCCC2)C1=O)C(C)C ZINC000905743169 626956410 /nfs/dbraw/zinc/95/64/10/626956410.db2.gz JZTYWXXKBIVHJC-UHFFFAOYSA-N 1 2 291.351 1.021 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)C(=O)N(C2CCCC2)C1=O)C(C)C ZINC000905743169 626956414 /nfs/dbraw/zinc/95/64/14/626956414.db2.gz JZTYWXXKBIVHJC-UHFFFAOYSA-N 1 2 291.351 1.021 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C/C=C/C)C(=O)OCC ZINC000907400708 627640155 /nfs/dbraw/zinc/64/01/55/627640155.db2.gz PZVJGLOKJZLGRE-SZBGIYDQSA-N 1 2 292.379 1.098 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C/C=C/C)C(=O)OCC ZINC000907400708 627640156 /nfs/dbraw/zinc/64/01/56/627640156.db2.gz PZVJGLOKJZLGRE-SZBGIYDQSA-N 1 2 292.379 1.098 20 30 CDEDLO C#C[C@@](C)(CC)NC(=O)CC[NH+]1CCN(C(C)C)CC1 ZINC000908528924 628245772 /nfs/dbraw/zinc/24/57/72/628245772.db2.gz GBWRZFKLCSNSOT-INIZCTEOSA-N 1 2 279.428 1.321 20 30 CDEDLO C#CCCCCCC(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913463686 630496002 /nfs/dbraw/zinc/49/60/02/630496002.db2.gz IALCAPZCLACRGU-OAHLLOKOSA-N 1 2 288.395 1.477 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc2ocnc21 ZINC000913506713 630512544 /nfs/dbraw/zinc/51/25/44/630512544.db2.gz GVYHQWDBKGBQKK-LBPRGKRZSA-N 1 2 269.304 1.864 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc2ocnc21 ZINC000913506713 630512547 /nfs/dbraw/zinc/51/25/47/630512547.db2.gz GVYHQWDBKGBQKK-LBPRGKRZSA-N 1 2 269.304 1.864 20 30 CDEDLO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)C[C@H](O)CC#N ZINC000929963465 632145609 /nfs/dbraw/zinc/14/56/09/632145609.db2.gz SKSTULBISZEDHX-CQSZACIVSA-N 1 2 293.342 1.749 20 30 CDEDLO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)C[C@H](O)CC#N ZINC000929963465 632145619 /nfs/dbraw/zinc/14/56/19/632145619.db2.gz SKSTULBISZEDHX-CQSZACIVSA-N 1 2 293.342 1.749 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(C)c(C)o3)C[C@H]21 ZINC001114004671 1162399996 /nfs/dbraw/zinc/39/99/96/1162399996.db2.gz KNHCGNQJKNYGSH-VIKVFOODSA-N 1 2 289.379 1.804 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(C)c(C)o3)C[C@H]21 ZINC001114004671 1162399998 /nfs/dbraw/zinc/39/99/98/1162399998.db2.gz KNHCGNQJKNYGSH-VIKVFOODSA-N 1 2 289.379 1.804 20 30 CDEDLO C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001086615040 1162425852 /nfs/dbraw/zinc/42/58/52/1162425852.db2.gz COMCKDKCMPJALI-UONOGXRCSA-N 1 2 297.362 1.189 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001086615040 1162425855 /nfs/dbraw/zinc/42/58/55/1162425855.db2.gz COMCKDKCMPJALI-UONOGXRCSA-N 1 2 297.362 1.189 20 30 CDEDLO CC#CCCCC(=O)NC[C@H](C)[NH2+]Cc1ncc(C)o1 ZINC001752894905 1161498238 /nfs/dbraw/zinc/49/82/38/1161498238.db2.gz XMDXTNHJTHMLMM-LBPRGKRZSA-N 1 2 277.368 1.771 20 30 CDEDLO C=CCCOCC(=O)N[C@@H](C)[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001113074224 1162093696 /nfs/dbraw/zinc/09/36/96/1162093696.db2.gz BXYWEPMHYXRPBA-NEPJUHHUSA-N 1 2 292.383 1.683 20 30 CDEDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)Nc1ccc(C#N)cn1 ZINC001113154543 1162115785 /nfs/dbraw/zinc/11/57/85/1162115785.db2.gz FYTUDQGLPJKUJU-GHMZBOCLSA-N 1 2 298.350 1.224 20 30 CDEDLO C[C@@H](Nc1ccc(C#N)nc1)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001113155568 1162115950 /nfs/dbraw/zinc/11/59/50/1162115950.db2.gz QIFNEWARZOYDON-MNOVXSKESA-N 1 2 298.350 1.224 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113582267 1162232019 /nfs/dbraw/zinc/23/20/19/1162232019.db2.gz CRFFGWRMYPOMRK-IAQYHMDHSA-N 1 2 292.383 1.053 20 30 CDEDLO N#CCOc1cccc(CC(=O)OCc2cc[nH+]c(N)c2)c1 ZINC000792072228 1162258440 /nfs/dbraw/zinc/25/84/40/1162258440.db2.gz FQBQUUFSMZZZJW-UHFFFAOYSA-N 1 2 297.314 1.852 20 30 CDEDLO C[C@@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)CN1CC#N ZINC001132541188 1163354613 /nfs/dbraw/zinc/35/46/13/1163354613.db2.gz BFYVQIRLFVUQDM-ZIAGYGMSSA-N 1 2 289.383 1.156 20 30 CDEDLO C=C[C@@H](CO)Nc1[nH+]ccc2ccc(C(=O)OC)cc21 ZINC001158814342 1163604653 /nfs/dbraw/zinc/60/46/53/1163604653.db2.gz FGEYYHIXLHAWCT-LBPRGKRZSA-N 1 2 272.304 1.980 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1nc(-c2nn[nH]n2)cs1)C(C)(C)C ZINC001609018944 1164726161 /nfs/dbraw/zinc/72/61/61/1164726161.db2.gz JSKMDQQLIVLMJM-SECBINFHSA-N 1 2 276.369 1.461 20 30 CDEDLO C#C[C@H]([NH2+]C1CC[NH+](CCCC(=O)[O-])CC1)[C@H]1CCCO1 ZINC001609057633 1164750371 /nfs/dbraw/zinc/75/03/71/1164750371.db2.gz AYLIUINQKKPUDK-LSDHHAIUSA-N 1 2 294.395 1.086 20 30 CDEDLO N#CC1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC001626741463 1165956807 /nfs/dbraw/zinc/95/68/07/1165956807.db2.gz JBZPJMUDCNZXPU-LLVKDONJSA-N 1 2 258.325 1.256 20 30 CDEDLO Cc1cccc2c(C[NH+]3CCN(CCC#N)CC3)[nH]nc21 ZINC001137147777 1166425656 /nfs/dbraw/zinc/42/56/56/1166425656.db2.gz FAVFEDCXFJDCSP-UHFFFAOYSA-N 1 2 283.379 1.903 20 30 CDEDLO CO[C@H]1C[NH2+][C@@](C)(C(=O)Oc2cccc(OCC#N)c2)C1 ZINC001573960545 1170842358 /nfs/dbraw/zinc/84/23/58/1170842358.db2.gz JQWAQZFNDCUJPS-UKRRQHHQSA-N 1 2 290.319 1.261 20 30 CDEDLO CCCC[C@H]([NH3+])C(=O)Nc1nc(-c2cccc(C#N)c2)n[nH]1 ZINC001577415085 1171667045 /nfs/dbraw/zinc/66/70/45/1171667045.db2.gz MIQBDEXBQRXPBF-LBPRGKRZSA-N 1 2 298.350 1.799 20 30 CDEDLO C#CC[N@@H+](CC)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001588350326 1173049509 /nfs/dbraw/zinc/04/95/09/1173049509.db2.gz OQYWOCLYKZIDJX-UHFFFAOYSA-N 1 2 286.295 1.230 20 30 CDEDLO C#CC[N@H+](CC)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001588350326 1173049515 /nfs/dbraw/zinc/04/95/15/1173049515.db2.gz OQYWOCLYKZIDJX-UHFFFAOYSA-N 1 2 286.295 1.230 20 30 CDEDLO C=CCCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC=C)C1 ZINC001732091750 1182758413 /nfs/dbraw/zinc/75/84/13/1182758413.db2.gz NLBLBJYJXNURFY-AWEZNQCLSA-N 1 2 293.411 1.226 20 30 CDEDLO C=CCCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC=C)C1 ZINC001732091750 1182758418 /nfs/dbraw/zinc/75/84/18/1182758418.db2.gz NLBLBJYJXNURFY-AWEZNQCLSA-N 1 2 293.411 1.226 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001732154388 1182814241 /nfs/dbraw/zinc/81/42/41/1182814241.db2.gz WEQUTDMSUZKOEY-CYBMUJFWSA-N 1 2 290.411 1.713 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001732154388 1182814251 /nfs/dbraw/zinc/81/42/51/1182814251.db2.gz WEQUTDMSUZKOEY-CYBMUJFWSA-N 1 2 290.411 1.713 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001752411540 1184859150 /nfs/dbraw/zinc/85/91/50/1184859150.db2.gz JZWSXALTCHWYBH-HOTGVXAUSA-N 1 2 285.391 1.113 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001752411540 1184859152 /nfs/dbraw/zinc/85/91/52/1184859152.db2.gz JZWSXALTCHWYBH-HOTGVXAUSA-N 1 2 285.391 1.113 20 30 CDEDLO C#CCCCCC(=O)NC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001753374334 1185175239 /nfs/dbraw/zinc/17/52/39/1185175239.db2.gz ATHQVJHOPBADFB-HNNXBMFYSA-N 1 2 292.423 1.796 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001753651991 1185289251 /nfs/dbraw/zinc/28/92/51/1185289251.db2.gz XSMZZFFLELCSEJ-XHSDSOJGSA-N 1 2 292.423 1.816 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001753651991 1185289259 /nfs/dbraw/zinc/28/92/59/1185289259.db2.gz XSMZZFFLELCSEJ-XHSDSOJGSA-N 1 2 292.423 1.816 20 30 CDEDLO C#CCC[NH2+]C/C=C/CNC(=O)C(F)C(F)(F)F ZINC001754122912 1185475679 /nfs/dbraw/zinc/47/56/79/1185475679.db2.gz KIJSUMCIBDFLSC-MOVJSRMASA-N 1 2 266.238 1.172 20 30 CDEDLO C#CCC[NH2+]C/C=C/CNC(=O)[C@H](F)C(F)(F)F ZINC001754122912 1185475683 /nfs/dbraw/zinc/47/56/83/1185475683.db2.gz KIJSUMCIBDFLSC-MOVJSRMASA-N 1 2 266.238 1.172 20 30 CDEDLO C=CCOCC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(F)cc1 ZINC001754477728 1185633709 /nfs/dbraw/zinc/63/37/09/1185633709.db2.gz KSLVMRACJMHQPR-OAHLLOKOSA-N 1 2 292.354 1.719 20 30 CDEDLO C=CCOCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(F)cc1 ZINC001754477728 1185633715 /nfs/dbraw/zinc/63/37/15/1185633715.db2.gz KSLVMRACJMHQPR-OAHLLOKOSA-N 1 2 292.354 1.719 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)CC ZINC001754492463 1185639877 /nfs/dbraw/zinc/63/98/77/1185639877.db2.gz CLBNYDVQWVDIQL-CZUORRHYSA-N 1 2 295.427 1.258 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)CC ZINC001754492463 1185639880 /nfs/dbraw/zinc/63/98/80/1185639880.db2.gz CLBNYDVQWVDIQL-CZUORRHYSA-N 1 2 295.427 1.258 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)CO[C@@H]2CCCC[C@@H]2C)C1 ZINC001754583006 1185675318 /nfs/dbraw/zinc/67/53/18/1185675318.db2.gz JWZKQSPKHQFQFX-GOEBONIOSA-N 1 2 292.423 1.748 20 30 CDEDLO C#CCCCCC(=O)NC[C@@H]1COCC[N@H+]1C[C@H](C)OC ZINC001754964938 1185770680 /nfs/dbraw/zinc/77/06/80/1185770680.db2.gz HDBKDPJMTPAUHI-LSDHHAIUSA-N 1 2 296.411 1.032 20 30 CDEDLO C#CCCCCC(=O)NC[C@@H]1COCC[N@@H+]1C[C@H](C)OC ZINC001754964938 1185770685 /nfs/dbraw/zinc/77/06/85/1185770685.db2.gz HDBKDPJMTPAUHI-LSDHHAIUSA-N 1 2 296.411 1.032 20 30 CDEDLO C=CCCCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cnsn2)C1 ZINC001755113110 1185819848 /nfs/dbraw/zinc/81/98/48/1185819848.db2.gz FKAGJVOAQPELFA-WCQYABFASA-N 1 2 294.424 1.831 20 30 CDEDLO C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)C(F)C(F)(F)F ZINC001755192858 1185849047 /nfs/dbraw/zinc/84/90/47/1185849047.db2.gz MSPPAPRGKXBWLC-NXEZZACHSA-N 1 2 282.281 1.996 20 30 CDEDLO C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC001755363895 1185928083 /nfs/dbraw/zinc/92/80/83/1185928083.db2.gz OQWZYVSGGUCRAF-MNOVXSKESA-N 1 2 294.292 1.881 20 30 CDEDLO C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC001755363895 1185928088 /nfs/dbraw/zinc/92/80/88/1185928088.db2.gz OQWZYVSGGUCRAF-MNOVXSKESA-N 1 2 294.292 1.881 20 30 CDEDLO C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001755363895 1185928096 /nfs/dbraw/zinc/92/80/96/1185928096.db2.gz OQWZYVSGGUCRAF-MNOVXSKESA-N 1 2 294.292 1.881 20 30 CDEDLO C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001755363895 1185928100 /nfs/dbraw/zinc/92/81/00/1185928100.db2.gz OQWZYVSGGUCRAF-MNOVXSKESA-N 1 2 294.292 1.881 20 30 CDEDLO COc1cc(C[NH+]2CCN(CCF)CC2)ccc1C#N ZINC000402239032 1186439825 /nfs/dbraw/zinc/43/98/25/1186439825.db2.gz ZPGAERFQHMGJCJ-UHFFFAOYSA-N 1 2 277.343 1.654 20 30 CDEDLO C=C(Br)C[NH2+]C1CC[NH+](CC(=O)[O-])CC1 ZINC001771908623 1186945060 /nfs/dbraw/zinc/94/50/60/1186945060.db2.gz UOKSQVBNFGKOEV-UHFFFAOYSA-N 1 2 277.162 1.034 20 30 CDEDLO N#Cc1ccccc1/C=C/C(=O)NCCn1cc[nH+]c1 ZINC000067182170 711842800 /nfs/dbraw/zinc/84/28/00/711842800.db2.gz DZZGLMZYVKKPRK-AATRIKPKSA-N 1 2 266.304 1.584 20 30 CDEDLO C#CC[N@H+]1CC[C@@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001041304344 711853993 /nfs/dbraw/zinc/85/39/93/711853993.db2.gz NDGPLLZBWULJCY-CMPLNLGQSA-N 1 2 292.276 1.444 20 30 CDEDLO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001041304344 711853996 /nfs/dbraw/zinc/85/39/96/711853996.db2.gz NDGPLLZBWULJCY-CMPLNLGQSA-N 1 2 292.276 1.444 20 30 CDEDLO C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001041304344 711853997 /nfs/dbraw/zinc/85/39/97/711853997.db2.gz NDGPLLZBWULJCY-CMPLNLGQSA-N 1 2 292.276 1.444 20 30 CDEDLO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001041304344 711853999 /nfs/dbraw/zinc/85/39/99/711853999.db2.gz NDGPLLZBWULJCY-CMPLNLGQSA-N 1 2 292.276 1.444 20 30 CDEDLO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccns1 ZINC001024466413 711857251 /nfs/dbraw/zinc/85/72/51/711857251.db2.gz DNMSAFWTLVMGSM-LLVKDONJSA-N 1 2 263.366 1.361 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccns1 ZINC001024466413 711857253 /nfs/dbraw/zinc/85/72/53/711857253.db2.gz DNMSAFWTLVMGSM-LLVKDONJSA-N 1 2 263.366 1.361 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C2CC(OCC)C2)C1 ZINC001035351740 711863342 /nfs/dbraw/zinc/86/33/42/711863342.db2.gz GCGDVRLLACSLTC-YMAMQOFZSA-N 1 2 296.411 1.195 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C2CC(OCC)C2)C1 ZINC001035351740 711863347 /nfs/dbraw/zinc/86/33/47/711863347.db2.gz GCGDVRLLACSLTC-YMAMQOFZSA-N 1 2 296.411 1.195 20 30 CDEDLO CC#CC[C@@H](CO)NC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000831578242 711878666 /nfs/dbraw/zinc/87/86/66/711878666.db2.gz KHCAPPDKSIOTRP-LBPRGKRZSA-N 1 2 290.367 1.352 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)c1nc(C)cs1 ZINC000884211262 711882978 /nfs/dbraw/zinc/88/29/78/711882978.db2.gz YLQIEKRVBBADDP-ZJUUUORDSA-N 1 2 297.380 1.075 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCc2cccc(OC)c2C1 ZINC000831939971 711911043 /nfs/dbraw/zinc/91/10/43/711911043.db2.gz JSVWNKSGWAATDJ-GFCCVEGCSA-N 1 2 272.348 1.191 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCc2cccc(OC)c2C1 ZINC000831939971 711911046 /nfs/dbraw/zinc/91/10/46/711911046.db2.gz JSVWNKSGWAATDJ-GFCCVEGCSA-N 1 2 272.348 1.191 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H](C)CCC ZINC000884091975 711911987 /nfs/dbraw/zinc/91/19/87/711911987.db2.gz PJKHFEUJTYDYKI-MNOVXSKESA-N 1 2 256.346 1.080 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)CNOC1CCCCC1 ZINC000819247309 711914597 /nfs/dbraw/zinc/91/45/97/711914597.db2.gz ARKYWIWDBULKCH-GFCCVEGCSA-N 1 2 255.362 1.047 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)CNOC1CCCCC1 ZINC000819247309 711914598 /nfs/dbraw/zinc/91/45/98/711914598.db2.gz ARKYWIWDBULKCH-GFCCVEGCSA-N 1 2 255.362 1.047 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc(C)ncc1Cl ZINC001038772824 711927721 /nfs/dbraw/zinc/92/77/21/711927721.db2.gz NKVWWCLFLMCJPZ-LLVKDONJSA-N 1 2 292.770 1.266 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1nc(C)ncc1Cl ZINC001038772824 711927722 /nfs/dbraw/zinc/92/77/22/711927722.db2.gz NKVWWCLFLMCJPZ-LLVKDONJSA-N 1 2 292.770 1.266 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2occc2[nH]1 ZINC001032430380 711936165 /nfs/dbraw/zinc/93/61/65/711936165.db2.gz FNNDMRODBDIARJ-QWRGUYRKSA-N 1 2 269.304 1.293 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2occc2[nH]1 ZINC001032430380 711936166 /nfs/dbraw/zinc/93/61/66/711936166.db2.gz FNNDMRODBDIARJ-QWRGUYRKSA-N 1 2 269.304 1.293 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cn[nH]n3)C[C@@H]21 ZINC001042126867 711940822 /nfs/dbraw/zinc/94/08/22/711940822.db2.gz HUDSAPAFXCHMDG-JQWIXIFHSA-N 1 2 295.774 1.094 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3cn[nH]n3)C[C@@H]21 ZINC001042126867 711940823 /nfs/dbraw/zinc/94/08/23/711940823.db2.gz HUDSAPAFXCHMDG-JQWIXIFHSA-N 1 2 295.774 1.094 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000131241972 711963348 /nfs/dbraw/zinc/96/33/48/711963348.db2.gz RWNHFJDWOVGMNZ-CYBMUJFWSA-N 1 2 276.336 1.312 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000131241972 711963353 /nfs/dbraw/zinc/96/33/53/711963353.db2.gz RWNHFJDWOVGMNZ-CYBMUJFWSA-N 1 2 276.336 1.312 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)ccc1OC ZINC001032504636 711977158 /nfs/dbraw/zinc/97/71/58/711977158.db2.gz JSQMWCXTBCRFAF-KBPBESRZSA-N 1 2 284.359 1.536 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)ccc1OC ZINC001032504636 711977164 /nfs/dbraw/zinc/97/71/64/711977164.db2.gz JSQMWCXTBCRFAF-KBPBESRZSA-N 1 2 284.359 1.536 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2CC[C@H](C3CC3)O2)nn1 ZINC000887470510 711978611 /nfs/dbraw/zinc/97/86/11/711978611.db2.gz QVPSIYDISXFXRA-LSDHHAIUSA-N 1 2 274.368 1.349 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(CC2CC2)n1 ZINC001038871601 711995787 /nfs/dbraw/zinc/99/57/87/711995787.db2.gz XUQLCWKRYYCWGQ-GFCCVEGCSA-N 1 2 273.336 1.064 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(CC2CC2)n1 ZINC001038871601 711995789 /nfs/dbraw/zinc/99/57/89/711995789.db2.gz XUQLCWKRYYCWGQ-GFCCVEGCSA-N 1 2 273.336 1.064 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCCC[C@@H]1CCC ZINC000884123527 712008696 /nfs/dbraw/zinc/00/86/96/712008696.db2.gz WHADZTBNYULSLO-IHRRRGAJSA-N 1 2 296.411 1.908 20 30 CDEDLO C=C(Br)C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000382481281 712021333 /nfs/dbraw/zinc/02/13/33/712021333.db2.gz IWLRKVJLKJKUBX-LBPRGKRZSA-N 1 2 289.217 1.692 20 30 CDEDLO C=C(Br)C[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000382481281 712021335 /nfs/dbraw/zinc/02/13/35/712021335.db2.gz IWLRKVJLKJKUBX-LBPRGKRZSA-N 1 2 289.217 1.692 20 30 CDEDLO C#CCN(CC#CC)C(=O)c1cccc2[nH+]ccn21 ZINC000776960181 712036171 /nfs/dbraw/zinc/03/61/71/712036171.db2.gz KWSAUEVQUHMVHM-UHFFFAOYSA-N 1 2 251.289 1.433 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](CC(=C)C)C1 ZINC001043902159 712059364 /nfs/dbraw/zinc/05/93/64/712059364.db2.gz DJHHXNIJRJHYGK-KGLIPLIRSA-N 1 2 264.369 1.296 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn3cc(C)cnc23)C1 ZINC001031032788 712082710 /nfs/dbraw/zinc/08/27/10/712082710.db2.gz KYDRVSIKBRIYOW-UHFFFAOYSA-N 1 2 285.351 1.028 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001042746466 712088042 /nfs/dbraw/zinc/08/80/42/712088042.db2.gz YLKYXQOGUADFLW-LSDHHAIUSA-N 1 2 271.364 1.514 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(F)(F)CC1 ZINC000796553616 712106542 /nfs/dbraw/zinc/10/65/42/712106542.db2.gz XTIOPKAAONUMRU-SNVBAGLBSA-N 1 2 271.311 1.668 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(C)cncc2C)C1 ZINC001043341112 712126507 /nfs/dbraw/zinc/12/65/07/712126507.db2.gz LOAYXRJJDQIPCV-UHFFFAOYSA-N 1 2 271.364 1.478 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccoc3)C[C@H]21 ZINC001074170981 712151636 /nfs/dbraw/zinc/15/16/36/712151636.db2.gz RPIUVEBJVRYBKQ-CABCVRRESA-N 1 2 288.347 1.218 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccoc3)C[C@H]21 ZINC001074170981 712151637 /nfs/dbraw/zinc/15/16/37/712151637.db2.gz RPIUVEBJVRYBKQ-CABCVRRESA-N 1 2 288.347 1.218 20 30 CDEDLO C#CCONC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000855607108 712156447 /nfs/dbraw/zinc/15/64/47/712156447.db2.gz WQZZMINMAWVTQM-OAHLLOKOSA-N 1 2 272.348 1.547 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)cc1C ZINC001038670407 712215126 /nfs/dbraw/zinc/21/51/26/712215126.db2.gz SWSMHFYIXZPAKJ-CQSZACIVSA-N 1 2 286.375 1.831 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)cc1C ZINC001038670407 712215127 /nfs/dbraw/zinc/21/51/27/712215127.db2.gz SWSMHFYIXZPAKJ-CQSZACIVSA-N 1 2 286.375 1.831 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2O)C1 ZINC001035296734 712220053 /nfs/dbraw/zinc/22/00/53/712220053.db2.gz OIMUSIAFKPLMTH-CYBMUJFWSA-N 1 2 290.363 1.399 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccccc2O)C1 ZINC001035296734 712220056 /nfs/dbraw/zinc/22/00/56/712220056.db2.gz OIMUSIAFKPLMTH-CYBMUJFWSA-N 1 2 290.363 1.399 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[C@H]1CCC[C@H](C)C1 ZINC000884134630 712220420 /nfs/dbraw/zinc/22/04/20/712220420.db2.gz NIVCYOJDKFMURZ-MJBXVCDLSA-N 1 2 296.411 1.766 20 30 CDEDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)C[C@H](O)CC#N ZINC000929127022 712225700 /nfs/dbraw/zinc/22/57/00/712225700.db2.gz RPGBTTKGOVKYPL-CQSZACIVSA-N 1 2 293.342 1.038 20 30 CDEDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)C[C@H](O)CC#N ZINC000929127022 712225702 /nfs/dbraw/zinc/22/57/02/712225702.db2.gz RPGBTTKGOVKYPL-CQSZACIVSA-N 1 2 293.342 1.038 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1cc(OC)ns1 ZINC001038263745 712231204 /nfs/dbraw/zinc/23/12/04/712231204.db2.gz WHFDHZJXAIBJTQ-JTQLQIEISA-N 1 2 281.381 1.532 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1cc(OC)ns1 ZINC001038263745 712231206 /nfs/dbraw/zinc/23/12/06/712231206.db2.gz WHFDHZJXAIBJTQ-JTQLQIEISA-N 1 2 281.381 1.532 20 30 CDEDLO CC(C)n1c[nH+]cc1CN1CCN(C2CC2)[C@@H](C#N)C1 ZINC000822442804 712232218 /nfs/dbraw/zinc/23/22/18/712232218.db2.gz IZQZGOMMPSFULT-AWEZNQCLSA-N 1 2 273.384 1.636 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncoc1C(C)C ZINC001038891264 712238691 /nfs/dbraw/zinc/23/86/91/712238691.db2.gz WXBSHGHHVHWICV-GFCCVEGCSA-N 1 2 275.352 1.625 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncoc1C(C)C ZINC001038891264 712238695 /nfs/dbraw/zinc/23/86/95/712238695.db2.gz WXBSHGHHVHWICV-GFCCVEGCSA-N 1 2 275.352 1.625 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@H]1CCC)O2 ZINC001053658247 712271634 /nfs/dbraw/zinc/27/16/34/712271634.db2.gz UXNOGUDGMLIIFZ-QLFBSQMISA-N 1 2 292.423 1.958 20 30 CDEDLO C=CCC1(O)CC[NH+]([C@@H](C)c2nnc(CC)[nH]2)CC1 ZINC000886778811 712272068 /nfs/dbraw/zinc/27/20/68/712272068.db2.gz WADIKFWEWZLERJ-NSHDSACASA-N 1 2 264.373 1.831 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC(F)(F)C1 ZINC001032437824 712284227 /nfs/dbraw/zinc/28/42/27/712284227.db2.gz SHYNNOVWCZRSNP-AGIUHOORSA-N 1 2 282.334 1.730 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC(F)(F)C1 ZINC001032437824 712284228 /nfs/dbraw/zinc/28/42/28/712284228.db2.gz SHYNNOVWCZRSNP-AGIUHOORSA-N 1 2 282.334 1.730 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(=O)ccoc2c1 ZINC001038927378 712291006 /nfs/dbraw/zinc/29/10/06/712291006.db2.gz VEBHYAPXRRZJQN-ZDUSSCGKSA-N 1 2 298.342 1.783 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(=O)ccoc2c1 ZINC001038927378 712291008 /nfs/dbraw/zinc/29/10/08/712291008.db2.gz VEBHYAPXRRZJQN-ZDUSSCGKSA-N 1 2 298.342 1.783 20 30 CDEDLO C=C(Br)CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000049301551 712298958 /nfs/dbraw/zinc/29/89/58/712298958.db2.gz PXCNPPCVBCZGGQ-VIFPVBQESA-N 1 2 287.161 1.479 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc[nH]1 ZINC001050817197 712301574 /nfs/dbraw/zinc/30/15/74/712301574.db2.gz HDGGTBASIUZPHR-LBPRGKRZSA-N 1 2 263.341 1.021 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc[nH]1 ZINC001050817197 712301575 /nfs/dbraw/zinc/30/15/75/712301575.db2.gz HDGGTBASIUZPHR-LBPRGKRZSA-N 1 2 263.341 1.021 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccsc1)O2 ZINC001053566012 712311666 /nfs/dbraw/zinc/31/16/66/712311666.db2.gz HFXZAFGCNQBMBQ-CYBMUJFWSA-N 1 2 292.404 1.897 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(COC)cs1 ZINC001038468910 712312643 /nfs/dbraw/zinc/31/26/43/712312643.db2.gz RXOIADPVPOMYIN-GFCCVEGCSA-N 1 2 280.393 1.885 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(COC)cs1 ZINC001038468910 712312644 /nfs/dbraw/zinc/31/26/44/712312644.db2.gz RXOIADPVPOMYIN-GFCCVEGCSA-N 1 2 280.393 1.885 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn2ccccc2n1 ZINC001018234102 712312650 /nfs/dbraw/zinc/31/26/50/712312650.db2.gz PJVFHUUAMZRTGP-OKILXGFUSA-N 1 2 294.358 1.256 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn2ccccc2n1 ZINC001018234102 712312653 /nfs/dbraw/zinc/31/26/53/712312653.db2.gz PJVFHUUAMZRTGP-OKILXGFUSA-N 1 2 294.358 1.256 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)C2=CCOCC2)C1 ZINC000949944699 712342490 /nfs/dbraw/zinc/34/24/90/712342490.db2.gz UCLDWNGFMYHCGS-UHFFFAOYSA-N 1 2 264.369 1.442 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2nc(C)oc2C)C1 ZINC001035558685 712343484 /nfs/dbraw/zinc/34/34/84/712343484.db2.gz DURWRUZMOFWKLJ-ZDUSSCGKSA-N 1 2 293.367 1.298 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2nc(C)oc2C)C1 ZINC001035558685 712343489 /nfs/dbraw/zinc/34/34/89/712343489.db2.gz DURWRUZMOFWKLJ-ZDUSSCGKSA-N 1 2 293.367 1.298 20 30 CDEDLO COc1cccc(COC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000122785442 712349158 /nfs/dbraw/zinc/34/91/58/712349158.db2.gz RLTFIPKEGIXQDL-CQSZACIVSA-N 1 2 278.352 1.418 20 30 CDEDLO COc1cccc(COC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000122785442 712349161 /nfs/dbraw/zinc/34/91/61/712349161.db2.gz RLTFIPKEGIXQDL-CQSZACIVSA-N 1 2 278.352 1.418 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccn(CC)n2)C1 ZINC001046676767 712368415 /nfs/dbraw/zinc/36/84/15/712368415.db2.gz GKVCYDOZRYKXIH-AWEZNQCLSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccn(CC)n2)C1 ZINC001046676767 712368416 /nfs/dbraw/zinc/36/84/16/712368416.db2.gz GKVCYDOZRYKXIH-AWEZNQCLSA-N 1 2 296.802 1.850 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)cc(Cl)c1 ZINC001038741352 712382828 /nfs/dbraw/zinc/38/28/28/712382828.db2.gz UUQGURIJMYAYEI-CYBMUJFWSA-N 1 2 280.730 1.916 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)cc(Cl)c1 ZINC001038741352 712382830 /nfs/dbraw/zinc/38/28/30/712382830.db2.gz UUQGURIJMYAYEI-CYBMUJFWSA-N 1 2 280.730 1.916 20 30 CDEDLO C#CCC[C@@H](O)CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000798421976 712390010 /nfs/dbraw/zinc/39/00/10/712390010.db2.gz YKKHCHZRPXZMFG-LLVKDONJSA-N 1 2 287.367 1.768 20 30 CDEDLO C=C[C@@H](O)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000816835355 712392248 /nfs/dbraw/zinc/39/22/48/712392248.db2.gz CKVOYQXCPFSDCS-CMPLNLGQSA-N 1 2 295.408 1.860 20 30 CDEDLO C=C[C@@H](O)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000816835355 712392250 /nfs/dbraw/zinc/39/22/50/712392250.db2.gz CKVOYQXCPFSDCS-CMPLNLGQSA-N 1 2 295.408 1.860 20 30 CDEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@H](O)CC#N ZINC000809575902 712402364 /nfs/dbraw/zinc/40/23/64/712402364.db2.gz FUFJAJKSJNIISA-IUODEOHRSA-N 1 2 284.363 1.985 20 30 CDEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@H](O)CC#N ZINC000809575902 712402366 /nfs/dbraw/zinc/40/23/66/712402366.db2.gz FUFJAJKSJNIISA-IUODEOHRSA-N 1 2 284.363 1.985 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(OC)C1 ZINC001017643852 712408504 /nfs/dbraw/zinc/40/85/04/712408504.db2.gz CAQNTENUVWXEIT-HFDVOGEKSA-N 1 2 276.380 1.110 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(OC)C1 ZINC001017643852 712408506 /nfs/dbraw/zinc/40/85/06/712408506.db2.gz CAQNTENUVWXEIT-HFDVOGEKSA-N 1 2 276.380 1.110 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccnn2CC(C)C)C1 ZINC001030384816 712422091 /nfs/dbraw/zinc/42/20/91/712422091.db2.gz YPRTYPXMTIEINN-UHFFFAOYSA-N 1 2 276.384 1.529 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccccc1)CO2 ZINC001053849215 712424527 /nfs/dbraw/zinc/42/45/27/712424527.db2.gz DNDWTLAIBWSXBY-MRXNPFEDSA-N 1 2 298.386 1.212 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2ccon2)C1 ZINC001027330328 712428960 /nfs/dbraw/zinc/42/89/60/712428960.db2.gz NIIAXEWPBFKLSN-YPMHNXCESA-N 1 2 276.340 1.257 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccon2)C1 ZINC001027330328 712428965 /nfs/dbraw/zinc/42/89/65/712428965.db2.gz NIIAXEWPBFKLSN-YPMHNXCESA-N 1 2 276.340 1.257 20 30 CDEDLO C#CC1CC[NH+](Cn2nc(C(=O)OC)c(Cl)c2C)CC1 ZINC000842634486 712437397 /nfs/dbraw/zinc/43/73/97/712437397.db2.gz XIEOZYHVEMHSIL-UHFFFAOYSA-N 1 2 295.770 1.934 20 30 CDEDLO N#Cc1ccccc1/C=C\C(=O)N1CCn2c[nH+]cc2C1 ZINC000811933924 712450419 /nfs/dbraw/zinc/45/04/19/712450419.db2.gz KWKLAZQEJVMLCF-WAYWQWQTSA-N 1 2 278.315 1.810 20 30 CDEDLO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnns1 ZINC001024348243 712450930 /nfs/dbraw/zinc/45/09/30/712450930.db2.gz KCPUWIDIASPONN-SNVBAGLBSA-N 1 2 266.370 1.308 20 30 CDEDLO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cnns1 ZINC001024348243 712450931 /nfs/dbraw/zinc/45/09/31/712450931.db2.gz KCPUWIDIASPONN-SNVBAGLBSA-N 1 2 266.370 1.308 20 30 CDEDLO Cc1oncc1C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038172492 712451404 /nfs/dbraw/zinc/45/14/04/712451404.db2.gz IBOBGFILOIMKHK-CYBMUJFWSA-N 1 2 299.334 1.187 20 30 CDEDLO Cc1oncc1C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038172492 712451405 /nfs/dbraw/zinc/45/14/05/712451405.db2.gz IBOBGFILOIMKHK-CYBMUJFWSA-N 1 2 299.334 1.187 20 30 CDEDLO N#Cc1ccc(NCC(=O)OCc2cc[nH+]c(N)c2)cc1 ZINC000791764825 712455913 /nfs/dbraw/zinc/45/59/13/712455913.db2.gz CQNUAXWHSFYWKT-UHFFFAOYSA-N 1 2 282.303 1.691 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001038928141 712457921 /nfs/dbraw/zinc/45/79/21/712457921.db2.gz KHWOEIZQLKIDKB-HRCADAONSA-N 1 2 268.360 1.614 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001038928141 712457922 /nfs/dbraw/zinc/45/79/22/712457922.db2.gz KHWOEIZQLKIDKB-HRCADAONSA-N 1 2 268.360 1.614 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C)cc3)C2)C1 ZINC000972652775 712474452 /nfs/dbraw/zinc/47/44/52/712474452.db2.gz BRBPJHIZRCWGMJ-SFHVURJKSA-N 1 2 298.386 1.545 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C)cc3)C2)C1 ZINC000972652775 712474453 /nfs/dbraw/zinc/47/44/53/712474453.db2.gz BRBPJHIZRCWGMJ-SFHVURJKSA-N 1 2 298.386 1.545 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C2CCC2)C1 ZINC001035263276 712475521 /nfs/dbraw/zinc/47/55/21/712475521.db2.gz HZEDWCKJLHTMBV-CYBMUJFWSA-N 1 2 252.358 1.180 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C2CCC2)C1 ZINC001035263276 712475524 /nfs/dbraw/zinc/47/55/24/712475524.db2.gz HZEDWCKJLHTMBV-CYBMUJFWSA-N 1 2 252.358 1.180 20 30 CDEDLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H](C#N)C2CCCCC2)C1 ZINC000805468546 712479160 /nfs/dbraw/zinc/47/91/60/712479160.db2.gz HDTQDIAZBDFVJF-UONOGXRCSA-N 1 2 280.368 1.723 20 30 CDEDLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H](C#N)C2CCCCC2)C1 ZINC000805468546 712479162 /nfs/dbraw/zinc/47/91/62/712479162.db2.gz HDTQDIAZBDFVJF-UONOGXRCSA-N 1 2 280.368 1.723 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Oc1ccccc1 ZINC001032764096 712495008 /nfs/dbraw/zinc/49/50/08/712495008.db2.gz BIBSISLHWBAEDU-PMPSAXMXSA-N 1 2 298.386 1.762 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Oc1ccccc1 ZINC001032764096 712495009 /nfs/dbraw/zinc/49/50/09/712495009.db2.gz BIBSISLHWBAEDU-PMPSAXMXSA-N 1 2 298.386 1.762 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCC[C@H](OC)C2)C1 ZINC001030869574 712504221 /nfs/dbraw/zinc/50/42/21/712504221.db2.gz SFCUXDBWXJLGHE-OCCSQVGLSA-N 1 2 266.385 1.568 20 30 CDEDLO Cc1nc(N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)cc[nH+]1 ZINC001067090047 712524712 /nfs/dbraw/zinc/52/47/12/712524712.db2.gz TVNSEGVLDZABMS-SMDDNHRTSA-N 1 2 284.363 1.457 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C#Cc2cccs2)C1 ZINC000827719752 712530356 /nfs/dbraw/zinc/53/03/56/712530356.db2.gz FXNDQCVMCZYUIT-GFCCVEGCSA-N 1 2 285.372 1.849 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(OC)c(C)c2)C1 ZINC001031104152 712535305 /nfs/dbraw/zinc/53/53/05/712535305.db2.gz JHWHPQCWLIXBGQ-UHFFFAOYSA-N 1 2 272.348 1.441 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCOC1 ZINC001054034260 712691689 /nfs/dbraw/zinc/69/16/89/712691689.db2.gz LJEUEBHFBJINSV-IRXDYDNUSA-N 1 2 298.386 1.199 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCOC1 ZINC001054034260 712691692 /nfs/dbraw/zinc/69/16/92/712691692.db2.gz LJEUEBHFBJINSV-IRXDYDNUSA-N 1 2 298.386 1.199 20 30 CDEDLO N#Cc1cc(C(=O)NC2CC[NH+](Cc3ccon3)CC2)c[nH]1 ZINC001002638277 712701769 /nfs/dbraw/zinc/70/17/69/712701769.db2.gz DPMZXIOSHAJEKB-UHFFFAOYSA-N 1 2 299.334 1.269 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc4n[nH]cc43)[C@@H]2C1 ZINC001076115743 712705872 /nfs/dbraw/zinc/70/58/72/712705872.db2.gz DBWPVJSHBFMMRD-BLLLJJGKSA-N 1 2 294.358 1.342 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4n[nH]cc43)[C@@H]2C1 ZINC001076115743 712705878 /nfs/dbraw/zinc/70/58/78/712705878.db2.gz DBWPVJSHBFMMRD-BLLLJJGKSA-N 1 2 294.358 1.342 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)C(F)=C2CCCC2)C1 ZINC001042610373 712712236 /nfs/dbraw/zinc/71/22/36/712712236.db2.gz QXCKGWJBXAQEGF-UHFFFAOYSA-N 1 2 264.344 1.950 20 30 CDEDLO C=C(Cl)CNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925588827 712713837 /nfs/dbraw/zinc/71/38/37/712713837.db2.gz ZXVDSJCRPZFOBL-LLVKDONJSA-N 1 2 275.780 1.149 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ocnc1C(F)(F)F ZINC001038549948 712727705 /nfs/dbraw/zinc/72/77/05/712727705.db2.gz JSSGXBYISYPHDW-QMMMGPOBSA-N 1 2 289.257 1.684 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ocnc1C(F)(F)F ZINC001038549948 712727707 /nfs/dbraw/zinc/72/77/07/712727707.db2.gz JSSGXBYISYPHDW-QMMMGPOBSA-N 1 2 289.257 1.684 20 30 CDEDLO C=C(C)C[C@@H](NC(=O)CCc1c[nH+]cn1C)C(=O)OCC ZINC000881753876 712728797 /nfs/dbraw/zinc/72/87/97/712728797.db2.gz AIAXBJWHGHMUIH-CYBMUJFWSA-N 1 2 293.367 1.367 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccc(C)o1 ZINC001018043415 712745836 /nfs/dbraw/zinc/74/58/36/712745836.db2.gz PRFSVFPSBLJUII-SOUVJXGZSA-N 1 2 286.375 2.000 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccc(C)o1 ZINC001018043415 712745840 /nfs/dbraw/zinc/74/58/40/712745840.db2.gz PRFSVFPSBLJUII-SOUVJXGZSA-N 1 2 286.375 2.000 20 30 CDEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)CCC)C2)CC1 ZINC001051970304 712770244 /nfs/dbraw/zinc/77/02/44/712770244.db2.gz ANLRGSKSUYVTNB-HNNXBMFYSA-N 1 2 279.428 1.581 20 30 CDEDLO C#CC[C@H](CCOC)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000860661427 712775207 /nfs/dbraw/zinc/77/52/07/712775207.db2.gz FJXUPQYEDJOGGQ-GFCCVEGCSA-N 1 2 286.335 1.884 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(F)cncc2F)C1 ZINC001042806711 712779314 /nfs/dbraw/zinc/77/93/14/712779314.db2.gz HUDNICUYFFGJCZ-UHFFFAOYSA-N 1 2 279.290 1.139 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(F)cc3cccnc32)C1 ZINC001031042450 712792321 /nfs/dbraw/zinc/79/23/21/712792321.db2.gz FAGMRLQIBDHZSB-UHFFFAOYSA-N 1 2 297.333 1.811 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001031069303 712793321 /nfs/dbraw/zinc/79/33/21/712793321.db2.gz XNAFTEDAIRFOSW-GFCCVEGCSA-N 1 2 260.337 1.515 20 30 CDEDLO C=CC[NH+]1CCN(c2ncc(C#N)cc2C#N)CC1 ZINC001165031254 721865395 /nfs/dbraw/zinc/86/53/95/721865395.db2.gz ALQCAESCWWZKSP-UHFFFAOYSA-N 1 2 253.309 1.133 20 30 CDEDLO C=CC[NH+]1CCN(c2nc(Cl)nc(C)c2[N+](=O)[O-])CC1 ZINC001165033159 721863396 /nfs/dbraw/zinc/86/33/96/721863396.db2.gz FJWKUHIDZPUJAP-UHFFFAOYSA-N 1 2 297.746 1.655 20 30 CDEDLO Cn1cc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)cn1 ZINC000794706178 1164572667 /nfs/dbraw/zinc/57/26/67/1164572667.db2.gz FKGWWZCPISPCQC-PLNGDYQASA-N 1 2 276.365 1.834 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000874712179 1165658114 /nfs/dbraw/zinc/65/81/14/1165658114.db2.gz VLWRZNUJYBRAEW-CYBMUJFWSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000874712179 1165658119 /nfs/dbraw/zinc/65/81/19/1165658119.db2.gz VLWRZNUJYBRAEW-CYBMUJFWSA-N 1 2 268.401 1.816 20 30 CDEDLO CC(C)CN(CCC#N)C(=O)CCc1[nH+]ccn1C ZINC001346320687 1167489349 /nfs/dbraw/zinc/48/93/49/1167489349.db2.gz ZZDUEMIIQHCGBO-UHFFFAOYSA-N 1 2 262.357 1.751 20 30 CDEDLO C=CCOC1CCC([NH2+][C@@H](CO)C(=O)OCC)CC1 ZINC001173311670 912402857 /nfs/dbraw/zinc/40/28/57/912402857.db2.gz NPYPORNGSMCQCM-BPCQOVAHSA-N 1 2 271.357 1.014 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2cc(F)c(C)cc2F)C1 ZINC001030727621 912650600 /nfs/dbraw/zinc/65/06/00/912650600.db2.gz APWDQMBVRMNHJY-UHFFFAOYSA-N 1 2 292.329 1.639 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001030844621 912883808 /nfs/dbraw/zinc/88/38/08/912883808.db2.gz YGVFNWDXAHYVPP-JTQLQIEISA-N 1 2 258.312 1.798 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCCc3nn(C)cc32)C1 ZINC001030845679 912883843 /nfs/dbraw/zinc/88/38/43/912883843.db2.gz MCMPBRHPLXTNQP-ZDUSSCGKSA-N 1 2 288.395 1.217 20 30 CDEDLO CCC(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001567266744 1168642920 /nfs/dbraw/zinc/64/29/20/1168642920.db2.gz NRAMUZKUVFHSRW-UHFFFAOYSA-N 1 2 263.316 1.655 20 30 CDEDLO CCC(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001567266744 1168642926 /nfs/dbraw/zinc/64/29/26/1168642926.db2.gz NRAMUZKUVFHSRW-UHFFFAOYSA-N 1 2 263.316 1.655 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)cc(F)c2)C1 ZINC001030998384 913358598 /nfs/dbraw/zinc/35/85/98/913358598.db2.gz ZCZKFDBIEDAMBI-UHFFFAOYSA-N 1 2 260.312 1.571 20 30 CDEDLO C[N@@H+]1CCCn2nc(C(=O)NCC(C)(C)S)cc2C1 ZINC001175105200 913447341 /nfs/dbraw/zinc/44/73/41/913447341.db2.gz WQTFCGDICZLUGZ-UHFFFAOYSA-N 1 2 282.413 1.157 20 30 CDEDLO C[N@H+]1CCCn2nc(C(=O)NCC(C)(C)S)cc2C1 ZINC001175105200 913447346 /nfs/dbraw/zinc/44/73/46/913447346.db2.gz WQTFCGDICZLUGZ-UHFFFAOYSA-N 1 2 282.413 1.157 20 30 CDEDLO C[N@@H+]1CCCn2nc(C(=O)N3CCCC[C@H]3C#N)cc2C1 ZINC001175077867 913454640 /nfs/dbraw/zinc/45/46/40/913454640.db2.gz SKGPMIBWIKMXSK-LBPRGKRZSA-N 1 2 287.367 1.237 20 30 CDEDLO C[N@H+]1CCCn2nc(C(=O)N3CCCC[C@H]3C#N)cc2C1 ZINC001175077867 913454644 /nfs/dbraw/zinc/45/46/44/913454644.db2.gz SKGPMIBWIKMXSK-LBPRGKRZSA-N 1 2 287.367 1.237 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001031076108 913563858 /nfs/dbraw/zinc/56/38/58/913563858.db2.gz JRZHZDDCBSELCM-DLBZAZTESA-N 1 2 298.386 1.622 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCc3ccccc3O2)C1 ZINC001031121806 913672231 /nfs/dbraw/zinc/67/22/31/913672231.db2.gz NDVOVGJACDBVPX-MRXNPFEDSA-N 1 2 284.359 1.204 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2scnc2C)[C@H]1C ZINC000993064748 913697163 /nfs/dbraw/zinc/69/71/63/913697163.db2.gz CEAQMIVDLVUKIT-VXGBXAGGSA-N 1 2 277.393 1.667 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2scnc2C)[C@H]1C ZINC000993064748 913697187 /nfs/dbraw/zinc/69/71/87/913697187.db2.gz CEAQMIVDLVUKIT-VXGBXAGGSA-N 1 2 277.393 1.667 20 30 CDEDLO C=C(C)CN(CC)c1cc(-n2cncn2)nc(C)[nH+]1 ZINC001167050703 894009004 /nfs/dbraw/zinc/00/90/04/894009004.db2.gz BQENFIFXKAXFAG-UHFFFAOYSA-N 1 2 258.329 1.768 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000089945600 894294593 /nfs/dbraw/zinc/29/45/93/894294593.db2.gz DVWSPXQMXJENDU-UHFFFAOYSA-N 1 2 250.292 1.716 20 30 CDEDLO C=CCN(CC[N@@H+]1C[C@H](F)[C@@H](OC)C1)C(=O)OCC ZINC001209016870 894415128 /nfs/dbraw/zinc/41/51/28/894415128.db2.gz GQFOXQCBMLXUOX-RYUDHWBXSA-N 1 2 274.336 1.300 20 30 CDEDLO C=CCN(CC[N@H+]1C[C@H](F)[C@@H](OC)C1)C(=O)OCC ZINC001209016870 894415144 /nfs/dbraw/zinc/41/51/44/894415144.db2.gz GQFOXQCBMLXUOX-RYUDHWBXSA-N 1 2 274.336 1.300 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C(F)(F)F)ccn2)C1 ZINC001031196716 913948914 /nfs/dbraw/zinc/94/89/14/913948914.db2.gz KGKRUAOHJRKOBN-UHFFFAOYSA-N 1 2 297.280 1.538 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC001024311832 898041165 /nfs/dbraw/zinc/04/11/65/898041165.db2.gz AOKSCEWZLVQCKU-CHWSQXEVSA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC001024311832 898041178 /nfs/dbraw/zinc/04/11/78/898041178.db2.gz AOKSCEWZLVQCKU-CHWSQXEVSA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cncn2C)[C@H]1C ZINC000993535971 914365846 /nfs/dbraw/zinc/36/58/46/914365846.db2.gz JXSDBMVBIDMARS-NEPJUHHUSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cncn2C)[C@H]1C ZINC000993535971 914365858 /nfs/dbraw/zinc/36/58/58/914365858.db2.gz JXSDBMVBIDMARS-NEPJUHHUSA-N 1 2 296.802 1.755 20 30 CDEDLO Cc1conc1C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C)C#N)C1 ZINC001027329242 900436353 /nfs/dbraw/zinc/43/63/53/900436353.db2.gz AAUQFMCQYSIHQO-YPMHNXCESA-N 1 2 290.367 1.566 20 30 CDEDLO Cc1conc1C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)C#N)C1 ZINC001027329242 900436364 /nfs/dbraw/zinc/43/63/64/900436364.db2.gz AAUQFMCQYSIHQO-YPMHNXCESA-N 1 2 290.367 1.566 20 30 CDEDLO Cc1cnc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC001027335149 900437051 /nfs/dbraw/zinc/43/70/51/900437051.db2.gz CJPRLYPSKHKUST-AAEUAGOBSA-N 1 2 290.367 1.566 20 30 CDEDLO Cc1cnc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC001027335149 900437053 /nfs/dbraw/zinc/43/70/53/900437053.db2.gz CJPRLYPSKHKUST-AAEUAGOBSA-N 1 2 290.367 1.566 20 30 CDEDLO Cc1cccc(C[NH+]2CC(NC(=O)[C@H](C)C#N)C2)c1 ZINC001481550199 901188929 /nfs/dbraw/zinc/18/89/29/901188929.db2.gz MKBKEWOMMJAITM-GFCCVEGCSA-N 1 2 257.337 1.455 20 30 CDEDLO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1c[nH]nn1)C2 ZINC001203199600 902019390 /nfs/dbraw/zinc/01/93/90/902019390.db2.gz JCROQYUUKSCHGN-LSDHHAIUSA-N 1 2 292.383 1.378 20 30 CDEDLO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1c[nH]nn1)C2 ZINC001203199600 902019404 /nfs/dbraw/zinc/01/94/04/902019404.db2.gz JCROQYUUKSCHGN-LSDHHAIUSA-N 1 2 292.383 1.378 20 30 CDEDLO C=CCCC(=O)N(C)CCN(C)c1cc[nH+]c(C)n1 ZINC001105365703 902291374 /nfs/dbraw/zinc/29/13/74/902291374.db2.gz HPJXJZCBGRVSFN-UHFFFAOYSA-N 1 2 262.357 1.646 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2sc(=S)[nH]c2C)CC1 ZINC001177597687 914785986 /nfs/dbraw/zinc/78/59/86/914785986.db2.gz DVRJANFNYPMXBQ-UHFFFAOYSA-N 1 2 297.449 1.613 20 30 CDEDLO NC(=[NH+]OCC(=O)N1CCCC1)c1ccc(F)cc1 ZINC000048376204 904340260 /nfs/dbraw/zinc/34/02/60/904340260.db2.gz NXDQKKNCAOVSHK-UHFFFAOYSA-N 1 2 265.288 1.085 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(F)cc(F)c2OC)CC1 ZINC001143563335 904460271 /nfs/dbraw/zinc/46/02/71/904460271.db2.gz WCCOTADQOFFFMR-UHFFFAOYSA-N 1 2 280.318 1.724 20 30 CDEDLO CO[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212248651 914865498 /nfs/dbraw/zinc/86/54/98/914865498.db2.gz KXSRBLUKMRUAQG-IURQOMBCSA-N 1 2 298.814 1.604 20 30 CDEDLO CO[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212248651 914865511 /nfs/dbraw/zinc/86/55/11/914865511.db2.gz KXSRBLUKMRUAQG-IURQOMBCSA-N 1 2 298.814 1.604 20 30 CDEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCF)[nH]1 ZINC001029275854 905291476 /nfs/dbraw/zinc/29/14/76/905291476.db2.gz REDACFOMOXETRH-TXEJJXNPSA-N 1 2 276.315 1.145 20 30 CDEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCF)[nH]1 ZINC001029275854 905291491 /nfs/dbraw/zinc/29/14/91/905291491.db2.gz REDACFOMOXETRH-TXEJJXNPSA-N 1 2 276.315 1.145 20 30 CDEDLO C=CCCC(=O)NCc1cnn2c1C[N@H+](CCCF)CC2 ZINC001128259512 921234547 /nfs/dbraw/zinc/23/45/47/921234547.db2.gz HOVVDVJCWJHWMN-UHFFFAOYSA-N 1 2 294.374 1.641 20 30 CDEDLO C=CCCC(=O)NCc1cnn2c1C[N@@H+](CCCF)CC2 ZINC001128259512 921234552 /nfs/dbraw/zinc/23/45/52/921234552.db2.gz HOVVDVJCWJHWMN-UHFFFAOYSA-N 1 2 294.374 1.641 20 30 CDEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCn3nccc3C2)cc1 ZINC001647857026 1169066381 /nfs/dbraw/zinc/06/63/81/1169066381.db2.gz OKNTURWBJMFMIM-OAHLLOKOSA-N 1 2 268.320 1.304 20 30 CDEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCn3nccc3C2)cc1 ZINC001647857026 1169066393 /nfs/dbraw/zinc/06/63/93/1169066393.db2.gz OKNTURWBJMFMIM-OAHLLOKOSA-N 1 2 268.320 1.304 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCO2)C1 ZINC001032893110 921471905 /nfs/dbraw/zinc/47/19/05/921471905.db2.gz NDGLFASDMCZDFQ-NWDGAFQWSA-N 1 2 272.776 1.451 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCO2)C1 ZINC001032893110 921471912 /nfs/dbraw/zinc/47/19/12/921471912.db2.gz NDGLFASDMCZDFQ-NWDGAFQWSA-N 1 2 272.776 1.451 20 30 CDEDLO C#CC[C@@H]([NH3+])c1nc(-c2ccc(C(C)=O)cc2)no1 ZINC001247608948 909532712 /nfs/dbraw/zinc/53/27/12/909532712.db2.gz BRBPYBKNIUVZHJ-GFCCVEGCSA-N 1 2 255.277 1.962 20 30 CDEDLO Cc1cc(NCCCNC(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001094341694 910519556 /nfs/dbraw/zinc/51/95/56/910519556.db2.gz ANCSLXNWIWORPG-LLVKDONJSA-N 1 2 289.383 1.986 20 30 CDEDLO Cc1cc(NCCCNC(=O)[C@H](C)C#N)nc(C2CC2)[nH+]1 ZINC001094341912 910519944 /nfs/dbraw/zinc/51/99/44/910519944.db2.gz IYRSBFCHJCIQGW-SNVBAGLBSA-N 1 2 287.367 1.740 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(CC)s2)[C@@H](O)C1 ZINC001083614824 910686890 /nfs/dbraw/zinc/68/68/90/910686890.db2.gz PWCDCNVVLVGMHQ-OLZOCXBDSA-N 1 2 292.404 1.109 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC)s2)[C@@H](O)C1 ZINC001083614824 910686899 /nfs/dbraw/zinc/68/68/99/910686899.db2.gz PWCDCNVVLVGMHQ-OLZOCXBDSA-N 1 2 292.404 1.109 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc[nH]1 ZINC001483310561 910841955 /nfs/dbraw/zinc/84/19/55/910841955.db2.gz HXGUZHAYYGIEBY-JTQLQIEISA-N 1 2 255.749 1.817 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccc[nH]1 ZINC001483310561 910841972 /nfs/dbraw/zinc/84/19/72/910841972.db2.gz HXGUZHAYYGIEBY-JTQLQIEISA-N 1 2 255.749 1.817 20 30 CDEDLO C#C[C@@H](NC(=O)c1cccc2[nH+]ccn21)[C@@H]1CCCO1 ZINC000775325731 921655586 /nfs/dbraw/zinc/65/55/86/921655586.db2.gz CITDZNAYDGSPSU-YPMHNXCESA-N 1 2 269.304 1.245 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](OCC(=O)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001204721865 911544178 /nfs/dbraw/zinc/54/41/78/911544178.db2.gz FFZKVWDCJMMWDB-NQPNPBMCSA-N 1 2 273.332 1.498 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](OCC(=O)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001204721865 911544188 /nfs/dbraw/zinc/54/41/88/911544188.db2.gz FFZKVWDCJMMWDB-NQPNPBMCSA-N 1 2 273.332 1.498 20 30 CDEDLO C#CC[C@H]([NH2+][C@@H](C)CCO[C@H](C)CC)C(=O)OC ZINC001172327558 911591217 /nfs/dbraw/zinc/59/12/17/911591217.db2.gz DMHGXFPKAGNVCW-XQQFMLRXSA-N 1 2 255.358 1.735 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3cccnc3n2)C1 ZINC001030347414 911698288 /nfs/dbraw/zinc/69/82/88/911698288.db2.gz RPQFALGDNOQXAE-UHFFFAOYSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)nc(C)c2)C1 ZINC001030374431 911722157 /nfs/dbraw/zinc/72/21/57/911722157.db2.gz DXROIVJIXZJXGA-UHFFFAOYSA-N 1 2 257.337 1.136 20 30 CDEDLO C=C(Cl)CN1CC(NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001030515158 911960830 /nfs/dbraw/zinc/96/08/30/911960830.db2.gz MRKLUUJLBODBKR-UHFFFAOYSA-N 1 2 295.770 1.186 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccon2)C1 ZINC001189911222 921713606 /nfs/dbraw/zinc/71/36/06/921713606.db2.gz YTBLHUCNUHQZEH-CQSZACIVSA-N 1 2 275.352 1.511 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccon2)C1 ZINC001189911222 921713598 /nfs/dbraw/zinc/71/35/98/921713598.db2.gz YTBLHUCNUHQZEH-CQSZACIVSA-N 1 2 275.352 1.511 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001030624236 912194310 /nfs/dbraw/zinc/19/43/10/912194310.db2.gz QPTMZNSKSXNBCP-UHFFFAOYSA-N 1 2 293.370 1.915 20 30 CDEDLO N#CCNCCCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001178346984 915356732 /nfs/dbraw/zinc/35/67/32/915356732.db2.gz ZAZPEBVRSKEFGQ-UHFFFAOYSA-N 1 2 277.372 1.132 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([NH2+]Cc2cnsn2)[C@@H]1C ZINC001178312177 915366582 /nfs/dbraw/zinc/36/65/82/915366582.db2.gz RPSJJHUVOCONEA-JQWIXIFHSA-N 1 2 280.397 1.583 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2sc(C)cc2OC)[C@@H](O)C1 ZINC001083830696 921768878 /nfs/dbraw/zinc/76/88/78/921768878.db2.gz CQACTBXHODTMLY-MNOVXSKESA-N 1 2 296.392 1.026 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2sc(C)cc2OC)[C@@H](O)C1 ZINC001083830696 921768893 /nfs/dbraw/zinc/76/88/93/921768893.db2.gz CQACTBXHODTMLY-MNOVXSKESA-N 1 2 296.392 1.026 20 30 CDEDLO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1nc[nH]n1 ZINC001089711438 915505984 /nfs/dbraw/zinc/50/59/84/915505984.db2.gz UNYJQONFOIYPIC-LLVKDONJSA-N 1 2 277.372 1.211 20 30 CDEDLO C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1nc[nH]n1 ZINC001089711438 915505995 /nfs/dbraw/zinc/50/59/95/915505995.db2.gz UNYJQONFOIYPIC-LLVKDONJSA-N 1 2 277.372 1.211 20 30 CDEDLO N#Cc1ccnc(NC(=O)Cc2cc[nH+]c(N)c2)c1 ZINC001181228585 916935016 /nfs/dbraw/zinc/93/50/16/916935016.db2.gz AOCJMZSXIMRWBC-UHFFFAOYSA-N 1 2 253.265 1.112 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@H](O)[C@](C)(CO)C2)c(C#N)c1 ZINC001137699557 936391126 /nfs/dbraw/zinc/39/11/26/936391126.db2.gz LNNGBKOXGMXMLI-HOTGVXAUSA-N 1 2 290.363 1.132 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@H](O)[C@](C)(CO)C2)c(C#N)c1 ZINC001137699557 936391130 /nfs/dbraw/zinc/39/11/30/936391130.db2.gz LNNGBKOXGMXMLI-HOTGVXAUSA-N 1 2 290.363 1.132 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@H](NC(C)=O)C2)c(C#N)c1 ZINC001137706236 936393913 /nfs/dbraw/zinc/39/39/13/936393913.db2.gz SPTYGJGZCUHURF-AWEZNQCLSA-N 1 2 273.336 1.277 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@H](NC(C)=O)C2)c(C#N)c1 ZINC001137706236 936393917 /nfs/dbraw/zinc/39/39/17/936393917.db2.gz SPTYGJGZCUHURF-AWEZNQCLSA-N 1 2 273.336 1.277 20 30 CDEDLO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1ccon1)CCO2 ZINC001053170290 936409423 /nfs/dbraw/zinc/40/94/23/936409423.db2.gz CIMVZDSMGIZEQX-UHFFFAOYSA-N 1 2 291.351 1.168 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCCO1)CCO2 ZINC001053223516 936410262 /nfs/dbraw/zinc/41/02/62/936410262.db2.gz ADVDYWRVULVAOQ-AWEZNQCLSA-N 1 2 294.395 1.045 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc[nH]c1)O2 ZINC001053601120 936416395 /nfs/dbraw/zinc/41/63/95/936416395.db2.gz BALYCUOQDQUZNI-CYBMUJFWSA-N 1 2 275.352 1.164 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC1(C)C)CO2 ZINC001053900877 936422897 /nfs/dbraw/zinc/42/28/97/936422897.db2.gz WMEIVOAHTZDCBY-KBPBESRZSA-N 1 2 292.423 1.958 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CC3(F)F)cc2C1 ZINC001054264088 936433372 /nfs/dbraw/zinc/43/33/72/936433372.db2.gz SHILGGSHIYNEOI-CQSZACIVSA-N 1 2 290.313 1.907 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC3(F)F)cc2C1 ZINC001054264088 936433375 /nfs/dbraw/zinc/43/33/75/936433375.db2.gz SHILGGSHIYNEOI-CQSZACIVSA-N 1 2 290.313 1.907 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cn[nH]c3)cc2C1 ZINC001054256667 936433482 /nfs/dbraw/zinc/43/34/82/936433482.db2.gz HOBQOAURQRLAKI-UHFFFAOYSA-N 1 2 280.331 1.289 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cn[nH]c3)cc2C1 ZINC001054256667 936433484 /nfs/dbraw/zinc/43/34/84/936433484.db2.gz HOBQOAURQRLAKI-UHFFFAOYSA-N 1 2 280.331 1.289 20 30 CDEDLO C=CCOCCCC(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001125255930 918074983 /nfs/dbraw/zinc/07/49/83/918074983.db2.gz OXWIWRFHKBVXHB-NSHDSACASA-N 1 2 296.371 1.128 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(C)o1 ZINC001032362080 918757827 /nfs/dbraw/zinc/75/78/27/918757827.db2.gz OBYJLIJQQUXBNK-STQMWFEESA-N 1 2 258.321 1.049 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(C)o1 ZINC001032362080 918757839 /nfs/dbraw/zinc/75/78/39/918757839.db2.gz OBYJLIJQQUXBNK-STQMWFEESA-N 1 2 258.321 1.049 20 30 CDEDLO 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/nfs/dbraw/zinc/04/16/11/919041611.db2.gz VHLICTRVYITVMA-MRXNPFEDSA-N 1 2 280.412 1.816 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cscn1 ZINC001050841689 936565415 /nfs/dbraw/zinc/56/54/15/936565415.db2.gz GLRFEYZBQSIBTI-LBPRGKRZSA-N 1 2 295.408 1.540 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cscn1 ZINC001050841689 936565417 /nfs/dbraw/zinc/56/54/17/936565417.db2.gz GLRFEYZBQSIBTI-LBPRGKRZSA-N 1 2 295.408 1.540 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1coc(C)c1 ZINC001050892670 936566253 /nfs/dbraw/zinc/56/62/53/936566253.db2.gz UUFKKOXBWNPBJZ-HNNXBMFYSA-N 1 2 292.379 1.985 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1coc(C)c1 ZINC001050892670 936566255 /nfs/dbraw/zinc/56/62/55/936566255.db2.gz UUFKKOXBWNPBJZ-HNNXBMFYSA-N 1 2 292.379 1.985 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001050880765 936566287 /nfs/dbraw/zinc/56/62/87/936566287.db2.gz XEDWVXTZGMYUMQ-STQMWFEESA-N 1 2 266.385 1.426 20 30 CDEDLO 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/nfs/dbraw/zinc/11/25/88/920112588.db2.gz ZFLFARCKJFHCHG-ARWYELJZSA-N 1 2 292.423 1.960 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cnc3cccnc3c2)CC1 ZINC001139741071 936642301 /nfs/dbraw/zinc/64/23/01/936642301.db2.gz GYBQUDLRHQEFDA-UHFFFAOYSA-N 1 2 281.363 1.661 20 30 CDEDLO C=CCn1cc(C[N@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)cn1 ZINC001139768623 936645136 /nfs/dbraw/zinc/64/51/36/936645136.db2.gz RHEOVWPGSSYMDK-AEGPPILISA-N 1 2 277.368 1.041 20 30 CDEDLO C=CCn1cc(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)cn1 ZINC001139768623 936645137 /nfs/dbraw/zinc/64/51/37/936645137.db2.gz RHEOVWPGSSYMDK-AEGPPILISA-N 1 2 277.368 1.041 20 30 CDEDLO C#CCCC[N@H+]1C[C@]2(F)CN([C@H](C)CC)C(=O)[C@]2(F)C1 ZINC001273537272 920430075 /nfs/dbraw/zinc/43/00/75/920430075.db2.gz DWZDIAPLJFVYOF-VHDGCEQUSA-N 1 2 284.350 1.773 20 30 CDEDLO C#CCCC[N@@H+]1C[C@]2(F)CN([C@H](C)CC)C(=O)[C@]2(F)C1 ZINC001273537272 920430087 /nfs/dbraw/zinc/43/00/87/920430087.db2.gz DWZDIAPLJFVYOF-VHDGCEQUSA-N 1 2 284.350 1.773 20 30 CDEDLO 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CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1csc(Cl)n1 ZINC001085911227 926500042 /nfs/dbraw/zinc/50/00/42/926500042.db2.gz YPSAFDGOJLIIEU-JTQLQIEISA-N 1 2 297.811 1.966 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1Cc2c(cccc2C)O1 ZINC001085927897 926513415 /nfs/dbraw/zinc/51/34/15/926513415.db2.gz JLYZUYKZALLQTN-WMLDXEAASA-N 1 2 298.386 1.464 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1Cc2c(cccc2C)O1 ZINC001085927897 926513423 /nfs/dbraw/zinc/51/34/23/926513423.db2.gz JLYZUYKZALLQTN-WMLDXEAASA-N 1 2 298.386 1.464 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(CC)s1 ZINC001085996602 926576614 /nfs/dbraw/zinc/57/66/14/926576614.db2.gz RTBBEAPSGCLLOT-GFCCVEGCSA-N 1 2 291.420 1.875 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(CC)s1 ZINC001085996602 926576616 /nfs/dbraw/zinc/57/66/16/926576616.db2.gz RTBBEAPSGCLLOT-GFCCVEGCSA-N 1 2 291.420 1.875 20 30 CDEDLO Cc1nc(N2CCCC[C@H](NC(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001102854536 937092929 /nfs/dbraw/zinc/09/29/29/937092929.db2.gz SHKBKDPMHPFIFJ-YPMHNXCESA-N 1 2 287.367 1.420 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001086008520 926597827 /nfs/dbraw/zinc/59/78/27/926597827.db2.gz UBFMLQMWTLYDKV-CVEARBPZSA-N 1 2 298.386 1.464 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001086008520 926597833 /nfs/dbraw/zinc/59/78/33/926597833.db2.gz UBFMLQMWTLYDKV-CVEARBPZSA-N 1 2 298.386 1.464 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](CC)Nc1cc[nH+]c(C)n1 ZINC001103072102 937120289 /nfs/dbraw/zinc/12/02/89/937120289.db2.gz MFOWNYFDPQXEDD-IUODEOHRSA-N 1 2 292.383 1.419 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCCC)C1 ZINC001490559247 927231334 /nfs/dbraw/zinc/23/13/34/927231334.db2.gz VMFYDCUVIYTFKW-XJKSGUPXSA-N 1 2 295.427 1.305 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@H+](CC(=O)NCCC)C1 ZINC001490559247 927231341 /nfs/dbraw/zinc/23/13/41/927231341.db2.gz VMFYDCUVIYTFKW-XJKSGUPXSA-N 1 2 295.427 1.305 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2ccco2)C1 ZINC001108293406 927342425 /nfs/dbraw/zinc/34/24/25/927342425.db2.gz DYANRNPOMOYLSF-HNNXBMFYSA-N 1 2 278.352 1.215 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2ccco2)C1 ZINC001108293406 927342431 /nfs/dbraw/zinc/34/24/31/927342431.db2.gz DYANRNPOMOYLSF-HNNXBMFYSA-N 1 2 278.352 1.215 20 30 CDEDLO C#CC[N@@H+](CC#CC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588073 927762343 /nfs/dbraw/zinc/76/23/43/927762343.db2.gz JZDGNAQAOGNTBD-HNNXBMFYSA-N 1 2 272.304 1.587 20 30 CDEDLO C#CC[N@H+](CC#CC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588073 927762347 /nfs/dbraw/zinc/76/23/47/927762347.db2.gz JZDGNAQAOGNTBD-HNNXBMFYSA-N 1 2 272.304 1.587 20 30 CDEDLO C=CCCSCCNC(=O)NCc1c[nH+]cn1C ZINC000852342275 927773727 /nfs/dbraw/zinc/77/37/27/927773727.db2.gz LLXQPIOWXBRJAJ-UHFFFAOYSA-N 1 2 268.386 1.529 20 30 CDEDLO C=CC[N@@H+](CN1C[C@H](CC)CC1=O)[C@H](C)COC ZINC000853535507 928039139 /nfs/dbraw/zinc/03/91/39/928039139.db2.gz WMLQTRIZPPXMJM-CHWSQXEVSA-N 1 2 254.374 1.725 20 30 CDEDLO C=CC[N@H+](CN1C[C@H](CC)CC1=O)[C@H](C)COC ZINC000853535507 928039149 /nfs/dbraw/zinc/03/91/49/928039149.db2.gz WMLQTRIZPPXMJM-CHWSQXEVSA-N 1 2 254.374 1.725 20 30 CDEDLO C=C1CCC(C(=O)OCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000885650198 928134041 /nfs/dbraw/zinc/13/40/41/928134041.db2.gz ZHMYDMOVZLBVKI-CYBMUJFWSA-N 1 2 267.369 1.997 20 30 CDEDLO C=C1CCC(C(=O)OCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000885650198 928134034 /nfs/dbraw/zinc/13/40/34/928134034.db2.gz ZHMYDMOVZLBVKI-CYBMUJFWSA-N 1 2 267.369 1.997 20 30 CDEDLO C#C[C@@](C)(CC)Nc1[nH+]cnc2[nH]cc([S@](C)=O)c21 ZINC001169690572 928337630 /nfs/dbraw/zinc/33/76/30/928337630.db2.gz XFBCXOYMXMBYHA-DJJJIMSYSA-N 1 2 276.365 1.909 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)OCCn1cc[nH+]c1 ZINC000782450103 937251945 /nfs/dbraw/zinc/25/19/45/937251945.db2.gz SOIRAYSWBRBGES-ZDUSSCGKSA-N 1 2 252.314 1.655 20 30 CDEDLO COC[C@@H](C#N)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000857067327 928660879 /nfs/dbraw/zinc/66/08/79/928660879.db2.gz JWJHXZSLWKNSRK-CQSZACIVSA-N 1 2 285.303 1.627 20 30 CDEDLO CN(C)c1cc(Cn2cc3c(c(C#N)c2=O)CCC3)cc[nH+]1 ZINC000783124366 937267145 /nfs/dbraw/zinc/26/71/45/937267145.db2.gz QPNFVEDOXBXLCT-UHFFFAOYSA-N 1 2 294.358 1.718 20 30 CDEDLO C=CCO[C@H](C)C(=O)N[C@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001108995866 928758548 /nfs/dbraw/zinc/75/85/48/928758548.db2.gz LDROUCJPQNWOLS-VXGBXAGGSA-N 1 2 292.383 1.317 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1nc(C)cs1 ZINC000858403497 928855378 /nfs/dbraw/zinc/85/53/78/928855378.db2.gz GEDZTSLIFMGYKE-SNVBAGLBSA-N 1 2 274.411 1.703 20 30 CDEDLO Cc1nc(NCCCN(C)C(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001109406425 928917634 /nfs/dbraw/zinc/91/76/34/928917634.db2.gz AEVPGXIUOUCKOO-UHFFFAOYSA-N 1 2 298.350 1.559 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCCC2CCOCC2)CC1 ZINC001112931970 929575823 /nfs/dbraw/zinc/57/58/23/929575823.db2.gz LSLGJJHGOKSOQV-UHFFFAOYSA-N 1 2 292.423 1.751 20 30 CDEDLO C=CCCCC[N@@H+](C)Cc1nnc2c(=O)[nH]ccn12 ZINC000880364243 929662709 /nfs/dbraw/zinc/66/27/09/929662709.db2.gz URKZFPNEGMPNTD-UHFFFAOYSA-N 1 2 261.329 1.206 20 30 CDEDLO C=CCCCC[N@H+](C)Cc1nnc2c(=O)[nH]ccn12 ZINC000880364243 929662715 /nfs/dbraw/zinc/66/27/15/929662715.db2.gz URKZFPNEGMPNTD-UHFFFAOYSA-N 1 2 261.329 1.206 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[NH2+]Cc1nonc1C ZINC001134410557 929734034 /nfs/dbraw/zinc/73/40/34/929734034.db2.gz XTZZDMJDFIBWEI-UHFFFAOYSA-N 1 2 266.345 1.186 20 30 CDEDLO C=C(Cl)Cn1cc(C[NH+]2CCC(OC)CC2)nn1 ZINC000881426832 929843906 /nfs/dbraw/zinc/84/39/06/929843906.db2.gz UFLKFHQCUOTVRG-UHFFFAOYSA-N 1 2 270.764 1.641 20 30 CDEDLO Cc1cn(C(C)(C)C(=O)N[C@H](C)C[C@H](C)NCC#N)c[nH+]1 ZINC001134744327 929880077 /nfs/dbraw/zinc/88/00/77/929880077.db2.gz KMENFEOSYDJFKL-NWDGAFQWSA-N 1 2 291.399 1.323 20 30 CDEDLO CCc1ccc(C#CC(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000815548473 930055918 /nfs/dbraw/zinc/05/59/18/930055918.db2.gz YZOHPXXXACVECN-UHFFFAOYSA-N 1 2 267.332 1.683 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882873368 930090736 /nfs/dbraw/zinc/09/07/36/930090736.db2.gz YIHZFKZTEQZXJE-JSGCOSHPSA-N 1 2 268.320 1.900 20 30 CDEDLO C=C(C)C[C@@H](CO)NC(=O)c1cccc2[nH+]ccn21 ZINC000882896868 930095993 /nfs/dbraw/zinc/09/59/93/930095993.db2.gz TXDMJXNKZVHXLX-NSHDSACASA-N 1 2 259.309 1.391 20 30 CDEDLO C#CCC1(O)CCN(c2nc(N)c3ccccc3[nH+]2)CC1 ZINC000882969842 930112084 /nfs/dbraw/zinc/11/20/84/930112084.db2.gz HNICMSSIAGTXPJ-UHFFFAOYSA-N 1 2 282.347 1.567 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1CC ZINC000884043943 930409219 /nfs/dbraw/zinc/40/92/19/930409219.db2.gz OZLSNWLFRPVMPD-NEPJUHHUSA-N 1 2 268.357 1.224 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)c1cccc(C)c1 ZINC000884069612 930430856 /nfs/dbraw/zinc/43/08/56/930430856.db2.gz JGKASEDLTGAXAO-ZDUSSCGKSA-N 1 2 276.336 1.404 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000884076259 930433615 /nfs/dbraw/zinc/43/36/15/930433615.db2.gz WNZDFNGJQXSHQO-TUAOUCFPSA-N 1 2 268.357 1.128 20 30 CDEDLO C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)Nc1ccc(C#N)nc1 ZINC001115766231 937418397 /nfs/dbraw/zinc/41/83/97/937418397.db2.gz BNOKVGBGODEUQJ-LBPRGKRZSA-N 1 2 298.350 1.109 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccccc1N(C)C ZINC000884184966 930472999 /nfs/dbraw/zinc/47/29/99/930472999.db2.gz GLGVNHDFSORJGB-NSHDSACASA-N 1 2 291.351 1.138 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000884307741 930519721 /nfs/dbraw/zinc/51/97/21/930519721.db2.gz SOTWFAQOKUGQRE-AAEUAGOBSA-N 1 2 282.384 1.469 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCCC12CC2 ZINC000884447149 930567752 /nfs/dbraw/zinc/56/77/52/930567752.db2.gz MPIOGUAQPNEGTB-RYUDHWBXSA-N 1 2 280.368 1.130 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)C[C@H](C)CC)C1 ZINC000885511390 930731260 /nfs/dbraw/zinc/73/12/60/930731260.db2.gz HMSFTVIRLHEVMP-CHWSQXEVSA-N 1 2 272.414 1.050 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)C[C@H](C)CC)C1 ZINC000885511390 930731274 /nfs/dbraw/zinc/73/12/74/930731274.db2.gz HMSFTVIRLHEVMP-CHWSQXEVSA-N 1 2 272.414 1.050 20 30 CDEDLO CCN(CC#N)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153362229 937443362 /nfs/dbraw/zinc/44/33/62/937443362.db2.gz LGJMUEQWUYSUMZ-GFCCVEGCSA-N 1 2 299.378 1.607 20 30 CDEDLO C=CCC1(O)CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000886774740 930956305 /nfs/dbraw/zinc/95/63/05/930956305.db2.gz UPNZADFUGVOABR-OAHLLOKOSA-N 1 2 299.374 1.488 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCc2cc(O)c(OC)cc2C1 ZINC000887103651 931017409 /nfs/dbraw/zinc/01/74/09/931017409.db2.gz GWFWRGSLDVGLGB-NSHDSACASA-N 1 2 290.363 1.450 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCc2cc(O)c(OC)cc2C1 ZINC000887103651 931017415 /nfs/dbraw/zinc/01/74/15/931017415.db2.gz GWFWRGSLDVGLGB-NSHDSACASA-N 1 2 290.363 1.450 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1F)C2 ZINC001095377723 931071450 /nfs/dbraw/zinc/07/14/50/931071450.db2.gz REQCWJMMOYBNCI-USWWRNFRSA-N 1 2 278.352 1.856 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1F)C2 ZINC001095377723 931071455 /nfs/dbraw/zinc/07/14/55/931071455.db2.gz REQCWJMMOYBNCI-USWWRNFRSA-N 1 2 278.352 1.856 20 30 CDEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2CC(=O)OC(C)C ZINC001274061027 931152100 /nfs/dbraw/zinc/15/21/00/931152100.db2.gz DZTUSIAXALLDCC-MRXNPFEDSA-N 1 2 294.395 1.581 20 30 CDEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC(=O)OC(C)C ZINC001274061027 931152108 /nfs/dbraw/zinc/15/21/08/931152108.db2.gz DZTUSIAXALLDCC-MRXNPFEDSA-N 1 2 294.395 1.581 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccco2)[C@H](O)C1 ZINC001090659278 931266549 /nfs/dbraw/zinc/26/65/49/931266549.db2.gz FRKZCJSUKWZJFE-CHWSQXEVSA-N 1 2 298.770 1.126 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccco2)[C@H](O)C1 ZINC001090659278 931266556 /nfs/dbraw/zinc/26/65/56/931266556.db2.gz FRKZCJSUKWZJFE-CHWSQXEVSA-N 1 2 298.770 1.126 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(C#N)cn1 ZINC000889230463 931309594 /nfs/dbraw/zinc/30/95/94/931309594.db2.gz ZPUHXVXSEUYTIH-UHFFFAOYSA-N 1 2 284.323 1.704 20 30 CDEDLO Cc1nc(NC2(CNC(=O)c3ccc(C#N)[nH]3)CC2)cc[nH+]1 ZINC001110109224 931497029 /nfs/dbraw/zinc/49/70/29/931497029.db2.gz HSQBETXLLASDHN-UHFFFAOYSA-N 1 2 296.334 1.359 20 30 CDEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ncc(C)cn1 ZINC001274442449 931500298 /nfs/dbraw/zinc/50/02/98/931500298.db2.gz SEEFOJYVPJRACU-ZIAGYGMSSA-N 1 2 286.379 1.536 20 30 CDEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ncc(C)cn1 ZINC001274442449 931500299 /nfs/dbraw/zinc/50/02/99/931500299.db2.gz SEEFOJYVPJRACU-ZIAGYGMSSA-N 1 2 286.379 1.536 20 30 CDEDLO Cc1c[nH+]c2n1CCC21CCN(C(=O)CCS)CC1 ZINC001143979369 931616242 /nfs/dbraw/zinc/61/62/42/931616242.db2.gz RFLRJFDJNCTDGL-UHFFFAOYSA-N 1 2 279.409 1.775 20 30 CDEDLO C=CCOCC(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001090956652 931628739 /nfs/dbraw/zinc/62/87/39/931628739.db2.gz XUCWMKJODCKYDA-DGCLKSJQSA-N 1 2 290.367 1.246 20 30 CDEDLO C=C[C@@H](C)ONC(=O)NCCNc1cccc[nH+]1 ZINC000845639621 931867864 /nfs/dbraw/zinc/86/78/64/931867864.db2.gz RDIHZUBAYWYNTN-SNVBAGLBSA-N 1 2 250.302 1.299 20 30 CDEDLO N#C[C@H]1CN(Cc2[nH+]cn3ccccc23)CCC1=O ZINC001144624984 931922027 /nfs/dbraw/zinc/92/20/27/931922027.db2.gz YCNIKDOARRDGSS-NSHDSACASA-N 1 2 254.293 1.249 20 30 CDEDLO N#CC1CN(Cc2[nH+]cn3ccccc23)CCC1=O ZINC001144624984 931922031 /nfs/dbraw/zinc/92/20/31/931922031.db2.gz YCNIKDOARRDGSS-NSHDSACASA-N 1 2 254.293 1.249 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccncn1 ZINC001275681447 931955943 /nfs/dbraw/zinc/95/59/43/931955943.db2.gz SDPWBMIBPRABFH-SNVBAGLBSA-N 1 2 268.748 1.279 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccncn1 ZINC001275681447 931955953 /nfs/dbraw/zinc/95/59/53/931955953.db2.gz SDPWBMIBPRABFH-SNVBAGLBSA-N 1 2 268.748 1.279 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC001411752913 931998187 /nfs/dbraw/zinc/99/81/87/931998187.db2.gz XWSDSEHMUONSOT-ZDUSSCGKSA-N 1 2 283.335 1.869 20 30 CDEDLO C#CCN(CC1CC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001117932897 937570579 /nfs/dbraw/zinc/57/05/79/937570579.db2.gz WBLXUHVVFDXWFG-ZDUSSCGKSA-N 1 2 257.337 1.317 20 30 CDEDLO N#CCCNC(=O)C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000846919795 932163393 /nfs/dbraw/zinc/16/33/93/932163393.db2.gz CSWCEAOGNCUTPE-UHFFFAOYSA-N 1 2 270.336 1.201 20 30 CDEDLO N#CCCNC(=O)C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000846919795 932163396 /nfs/dbraw/zinc/16/33/96/932163396.db2.gz CSWCEAOGNCUTPE-UHFFFAOYSA-N 1 2 270.336 1.201 20 30 CDEDLO C=C(C)CN1CC2(C[NH+](C[C@H]3CCC=CO3)C2)OCC1=O ZINC001273444102 932825463 /nfs/dbraw/zinc/82/54/63/932825463.db2.gz TYKASISUIIWQHF-CQSZACIVSA-N 1 2 292.379 1.168 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2sccc2COC)CC1 ZINC000778682187 934218901 /nfs/dbraw/zinc/21/89/01/934218901.db2.gz GCNIDGSMGMKHEY-UHFFFAOYSA-N 1 2 292.404 1.676 20 30 CDEDLO C#CC[N@H+](Cc1cnc(N2CCN(C)CC2)nc1)C(C)C ZINC001120071564 937778511 /nfs/dbraw/zinc/77/85/11/937778511.db2.gz VKTGSGAGXDPEJJ-UHFFFAOYSA-N 1 2 287.411 1.072 20 30 CDEDLO C#CC[N@@H+](Cc1cnc(N2CCN(C)CC2)nc1)C(C)C ZINC001120071564 937778513 /nfs/dbraw/zinc/77/85/13/937778513.db2.gz VKTGSGAGXDPEJJ-UHFFFAOYSA-N 1 2 287.411 1.072 20 30 CDEDLO C=C(C)CN(C)c1nnnn1Cc1cc(C)[nH+]c(C)c1 ZINC001120154692 937783473 /nfs/dbraw/zinc/78/34/73/937783473.db2.gz ZCDQFEHJDIHMDV-UHFFFAOYSA-N 1 2 272.356 1.746 20 30 CDEDLO C#CCCON=C(N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000779644255 934655212 /nfs/dbraw/zinc/65/52/12/934655212.db2.gz APITUOLHZUQESN-OAHLLOKOSA-N 1 2 287.363 1.409 20 30 CDEDLO C#CCCON=C(N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000779644255 934655216 /nfs/dbraw/zinc/65/52/16/934655216.db2.gz APITUOLHZUQESN-OAHLLOKOSA-N 1 2 287.363 1.409 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1CC ZINC001017514658 935239922 /nfs/dbraw/zinc/23/99/22/935239922.db2.gz BZBOLUPAXYDMLR-BETUJISGSA-N 1 2 272.348 1.764 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1CC ZINC001017514658 935239925 /nfs/dbraw/zinc/23/99/25/935239925.db2.gz BZBOLUPAXYDMLR-BETUJISGSA-N 1 2 272.348 1.764 20 30 CDEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+]([C@@H](C)C(N)=O)C2)CC1 ZINC001008416754 935403516 /nfs/dbraw/zinc/40/35/16/935403516.db2.gz INJKJLAXCDPWNG-JSGCOSHPSA-N 1 2 293.411 1.187 20 30 CDEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)C(N)=O)C2)CC1 ZINC001008416754 935403519 /nfs/dbraw/zinc/40/35/19/935403519.db2.gz INJKJLAXCDPWNG-JSGCOSHPSA-N 1 2 293.411 1.187 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCCCO2)C1 ZINC001010532606 935462473 /nfs/dbraw/zinc/46/24/73/935462473.db2.gz XCYIMMDBUHARER-QWHCGFSZSA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCCCO2)C1 ZINC001010532606 935462474 /nfs/dbraw/zinc/46/24/74/935462474.db2.gz XCYIMMDBUHARER-QWHCGFSZSA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001015337622 935565399 /nfs/dbraw/zinc/56/53/99/935565399.db2.gz QQRHJWJSLGKQIN-MCIONIFRSA-N 1 2 298.814 1.745 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001015337622 935565403 /nfs/dbraw/zinc/56/54/03/935565403.db2.gz QQRHJWJSLGKQIN-MCIONIFRSA-N 1 2 298.814 1.745 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2c(C)noc2C)C1 ZINC001016235554 935607271 /nfs/dbraw/zinc/60/72/71/935607271.db2.gz MJDBBNGHBHLZQX-LBPRGKRZSA-N 1 2 297.786 1.777 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2c(C)noc2C)C1 ZINC001016235554 935607275 /nfs/dbraw/zinc/60/72/75/935607275.db2.gz MJDBBNGHBHLZQX-LBPRGKRZSA-N 1 2 297.786 1.777 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)n1cccc1 ZINC001017483362 935640453 /nfs/dbraw/zinc/64/04/53/935640453.db2.gz QTPCBJSWTWQVRZ-SOUVJXGZSA-N 1 2 271.364 1.358 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)n1cccc1 ZINC001017483362 935640455 /nfs/dbraw/zinc/64/04/55/935640455.db2.gz QTPCBJSWTWQVRZ-SOUVJXGZSA-N 1 2 271.364 1.358 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(F)F ZINC001017517001 935642072 /nfs/dbraw/zinc/64/20/72/935642072.db2.gz XMDATMMUKXDBKQ-USZNOCQGSA-N 1 2 268.307 1.196 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(F)F ZINC001017517001 935642076 /nfs/dbraw/zinc/64/20/76/935642076.db2.gz XMDATMMUKXDBKQ-USZNOCQGSA-N 1 2 268.307 1.196 20 30 CDEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccns1 ZINC001017596264 935644513 /nfs/dbraw/zinc/64/45/13/935644513.db2.gz WRLAZROVKGSSGP-TXEJJXNPSA-N 1 2 275.377 1.455 20 30 CDEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccns1 ZINC001017596264 935644515 /nfs/dbraw/zinc/64/45/15/935644515.db2.gz WRLAZROVKGSSGP-TXEJJXNPSA-N 1 2 275.377 1.455 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001017683269 935646787 /nfs/dbraw/zinc/64/67/87/935646787.db2.gz HYAIAWNWTOUQLL-XFIYOXNOSA-N 1 2 272.392 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001017683269 935646791 /nfs/dbraw/zinc/64/67/91/935646791.db2.gz HYAIAWNWTOUQLL-XFIYOXNOSA-N 1 2 272.392 1.731 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nccc2cccnc21 ZINC001038358043 935741811 /nfs/dbraw/zinc/74/18/11/935741811.db2.gz UZXRNTUSHZNGPV-CQSZACIVSA-N 1 2 294.358 1.457 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1nccc2cccnc21 ZINC001038358043 935741812 /nfs/dbraw/zinc/74/18/12/935741812.db2.gz UZXRNTUSHZNGPV-CQSZACIVSA-N 1 2 294.358 1.457 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2ccc(C)nc21 ZINC001038393215 935743816 /nfs/dbraw/zinc/74/38/16/935743816.db2.gz HPQRTDAZEVBZRG-OAHLLOKOSA-N 1 2 293.370 1.981 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2ccc(C)nc21 ZINC001038393215 935743818 /nfs/dbraw/zinc/74/38/18/935743818.db2.gz HPQRTDAZEVBZRG-OAHLLOKOSA-N 1 2 293.370 1.981 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ocnc1C1CC1 ZINC001038704427 935753633 /nfs/dbraw/zinc/75/36/33/935753633.db2.gz FLYLXTGHFAYMCA-LLVKDONJSA-N 1 2 261.325 1.542 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ocnc1C1CC1 ZINC001038704427 935753635 /nfs/dbraw/zinc/75/36/35/935753635.db2.gz FLYLXTGHFAYMCA-LLVKDONJSA-N 1 2 261.325 1.542 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C2CC2)no1 ZINC001038769900 935756592 /nfs/dbraw/zinc/75/65/92/935756592.db2.gz KJZWMCFOLMGEKJ-GFCCVEGCSA-N 1 2 273.336 1.379 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C2CC2)no1 ZINC001038769900 935756593 /nfs/dbraw/zinc/75/65/93/935756593.db2.gz KJZWMCFOLMGEKJ-GFCCVEGCSA-N 1 2 273.336 1.379 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)C)no1 ZINC001038769608 935757305 /nfs/dbraw/zinc/75/73/05/935757305.db2.gz YQCTZFTVSVLFEF-LLVKDONJSA-N 1 2 263.341 1.788 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)C)no1 ZINC001038769608 935757306 /nfs/dbraw/zinc/75/73/06/935757306.db2.gz YQCTZFTVSVLFEF-LLVKDONJSA-N 1 2 263.341 1.788 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nn(C)c2ccccc21 ZINC001038929776 935763699 /nfs/dbraw/zinc/76/36/99/935763699.db2.gz DZJWYAAFRWKITI-CYBMUJFWSA-N 1 2 296.374 1.401 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1nn(C)c2ccccc21 ZINC001038929776 935763701 /nfs/dbraw/zinc/76/37/01/935763701.db2.gz DZJWYAAFRWKITI-CYBMUJFWSA-N 1 2 296.374 1.401 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(=O)c2ccccc2o1 ZINC001038974575 935764443 /nfs/dbraw/zinc/76/44/43/935764443.db2.gz XBTHPENEBVJCEE-LBPRGKRZSA-N 1 2 298.342 1.783 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc(=O)c2ccccc2o1 ZINC001038974575 935764446 /nfs/dbraw/zinc/76/44/46/935764446.db2.gz XBTHPENEBVJCEE-LBPRGKRZSA-N 1 2 298.342 1.783 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1C(C)C ZINC001039009646 935765701 /nfs/dbraw/zinc/76/57/01/935765701.db2.gz CKACBHBQWWRAKZ-CYBMUJFWSA-N 1 2 288.395 1.371 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1C(C)C ZINC001039009646 935765703 /nfs/dbraw/zinc/76/57/03/935765703.db2.gz CKACBHBQWWRAKZ-CYBMUJFWSA-N 1 2 288.395 1.371 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1csc(COC)n1 ZINC001039074216 935767208 /nfs/dbraw/zinc/76/72/08/935767208.db2.gz KRKXDGVBSJHAKN-NSHDSACASA-N 1 2 293.392 1.117 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1csc(COC)n1 ZINC001039074216 935767210 /nfs/dbraw/zinc/76/72/10/935767210.db2.gz KRKXDGVBSJHAKN-NSHDSACASA-N 1 2 293.392 1.117 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001039090536 935768474 /nfs/dbraw/zinc/76/84/74/935768474.db2.gz BYYYIDNFOWPCPK-JKSUJKDBSA-N 1 2 298.386 1.512 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001039090536 935768476 /nfs/dbraw/zinc/76/84/76/935768476.db2.gz BYYYIDNFOWPCPK-JKSUJKDBSA-N 1 2 298.386 1.512 20 30 CDEDLO C=C(C)CC[NH+]1CC(N(C)C(=O)c2cnc(C)[nH]2)C1 ZINC001042543317 935824313 /nfs/dbraw/zinc/82/43/13/935824313.db2.gz KCWNDRJPWXZXHD-UHFFFAOYSA-N 1 2 262.357 1.441 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(F)cn2)C1 ZINC001042641779 935826546 /nfs/dbraw/zinc/82/65/46/935826546.db2.gz DNCFKVFHADSWFI-UHFFFAOYSA-N 1 2 261.300 1.000 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(C)ccn2C)C1 ZINC001042657148 935827031 /nfs/dbraw/zinc/82/70/31/935827031.db2.gz CJBMFTRTCOPFOB-UHFFFAOYSA-N 1 2 259.353 1.113 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn(C)c2CCC)C1 ZINC001043210171 935835178 /nfs/dbraw/zinc/83/51/78/935835178.db2.gz HWWKASNUUUGSKB-UHFFFAOYSA-N 1 2 290.411 1.705 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn(C)c2CCC)C1 ZINC001043212830 935835790 /nfs/dbraw/zinc/83/57/90/935835790.db2.gz RBGQAVPEGFGHFL-UHFFFAOYSA-N 1 2 288.395 1.152 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3n[nH]cc3c2)C1 ZINC001043678579 935842778 /nfs/dbraw/zinc/84/27/78/935842778.db2.gz JNYUWDLJUSMFBY-UHFFFAOYSA-N 1 2 282.347 1.342 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnc(C)nc2C)C1 ZINC001044061259 935850080 /nfs/dbraw/zinc/85/00/80/935850080.db2.gz AEDYDXKZKZQKAJ-UHFFFAOYSA-N 1 2 274.368 1.426 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2oc(CC)cc2C)C1 ZINC001044190213 935853491 /nfs/dbraw/zinc/85/34/91/935853491.db2.gz ZGBKTYQGNVMNLK-UHFFFAOYSA-N 1 2 274.364 1.930 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cn(C)cn2)C1 ZINC001046238143 935936672 /nfs/dbraw/zinc/93/66/72/935936672.db2.gz DOGQCMXAZVLJOA-ZDUSSCGKSA-N 1 2 282.775 1.367 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cn(C)cn2)C1 ZINC001046238143 935936675 /nfs/dbraw/zinc/93/66/75/935936675.db2.gz DOGQCMXAZVLJOA-ZDUSSCGKSA-N 1 2 282.775 1.367 20 30 CDEDLO C[C@H](C#N)OCC[NH+]1CCN(c2ncccc2F)CC1 ZINC000801936838 936017067 /nfs/dbraw/zinc/01/70/67/936017067.db2.gz ZQQVUJMUJNCEAC-GFCCVEGCSA-N 1 2 278.331 1.271 20 30 CDEDLO Cc1cc(N2CC[C@H](NC(=O)[C@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001096338419 936045216 /nfs/dbraw/zinc/04/52/16/936045216.db2.gz KNKSJXZVXKZVKW-MFKMUULPSA-N 1 2 299.378 1.517 20 30 CDEDLO Cn1c[nH+]cc1CCCOC(=O)c1c[nH]c(C#N)c1 ZINC001122972971 936094453 /nfs/dbraw/zinc/09/44/53/936094453.db2.gz BNGZOJVEOVPOLO-UHFFFAOYSA-N 1 2 258.281 1.409 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(C)s1)C2 ZINC001096868097 936234772 /nfs/dbraw/zinc/23/47/72/936234772.db2.gz UBLWLGOOGBRQSH-UTUOFQBUSA-N 1 2 275.377 1.420 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(C)s1)C2 ZINC001096868097 936234775 /nfs/dbraw/zinc/23/47/75/936234775.db2.gz UBLWLGOOGBRQSH-UTUOFQBUSA-N 1 2 275.377 1.420 20 30 CDEDLO C=C(C)C(=O)OCCNc1nc(NC(C)C)c(OC)c[nH+]1 ZINC001157301423 938477621 /nfs/dbraw/zinc/47/76/21/938477621.db2.gz JQUATEUVMHLAJU-UHFFFAOYSA-N 1 2 294.355 1.837 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Nc2cc(C#N)c3ccccc3n2)C[NH2+]1 ZINC001158256130 938600614 /nfs/dbraw/zinc/60/06/14/938600614.db2.gz GBXHFUABJYHZFA-RISCZKNCSA-N 1 2 296.330 1.422 20 30 CDEDLO C#CCCCNc1ccc(OCC[NH+]2CCOCC2)nc1 ZINC001162446948 939054615 /nfs/dbraw/zinc/05/46/15/939054615.db2.gz WNACEUNKDQTEJZ-UHFFFAOYSA-N 1 2 289.379 1.618 20 30 CDEDLO Cc1cccc2[nH+]c(CCNc3ccc(C#N)nn3)cn21 ZINC001163643369 939296852 /nfs/dbraw/zinc/29/68/52/939296852.db2.gz SIICYPKXNIHSNQ-UHFFFAOYSA-N 1 2 278.319 1.959 20 30 CDEDLO C=CCOCc1cccc(N[C@@H]2C[NH2+][C@H](C(=O)OC)C2)c1 ZINC001164311648 939452142 /nfs/dbraw/zinc/45/21/42/939452142.db2.gz CBIXOUSVGLDNLS-GJZGRUSLSA-N 1 2 290.363 1.705 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1c1nc(Cl)nc2c1CCCCC2 ZINC001164641630 939501517 /nfs/dbraw/zinc/50/15/17/939501517.db2.gz NJHHYNLMVNADQD-SNVBAGLBSA-N 1 2 291.786 1.701 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(N3CCN4C(=O)CC[C@@H]4C3)c2c1 ZINC001166955651 939659386 /nfs/dbraw/zinc/65/93/86/939659386.db2.gz QGLKTWKISFOYQT-CQSZACIVSA-N 1 2 292.342 1.917 20 30 CDEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1nccn1C)C2 ZINC001205132833 939826389 /nfs/dbraw/zinc/82/63/89/939826389.db2.gz MLLPOFFGAACWEP-HOCLYGCPSA-N 1 2 291.395 1.746 20 30 CDEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1nccn1C)C2 ZINC001205132833 939826393 /nfs/dbraw/zinc/82/63/93/939826393.db2.gz MLLPOFFGAACWEP-HOCLYGCPSA-N 1 2 291.395 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)SC)C1 ZINC001206183299 939992874 /nfs/dbraw/zinc/99/28/74/939992874.db2.gz JGSZZHKLINJROP-FBIMIBRVSA-N 1 2 276.833 1.927 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)SC)C1 ZINC001206183299 939992875 /nfs/dbraw/zinc/99/28/75/939992875.db2.gz JGSZZHKLINJROP-FBIMIBRVSA-N 1 2 276.833 1.927 20 30 CDEDLO N#Cc1ccccc1OC1C[NH+](Cc2cc[nH]c(=O)c2)C1 ZINC001207127254 940154479 /nfs/dbraw/zinc/15/44/79/940154479.db2.gz YWBQITOULCHLBB-UHFFFAOYSA-N 1 2 281.315 1.922 20 30 CDEDLO C=C(C)[C@@H]1CC=C(C[NH+]2CCN(S(C)(=O)=O)CC2)CC1 ZINC001208176262 940301378 /nfs/dbraw/zinc/30/13/78/940301378.db2.gz DMEHQFXCKSKAEK-OAHLLOKOSA-N 1 2 298.452 1.866 20 30 CDEDLO C=C(C)CCC(=O)N1CCC[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001208252578 940312063 /nfs/dbraw/zinc/31/20/63/940312063.db2.gz LUXQYQMELZFXOJ-ZDUSSCGKSA-N 1 2 292.383 1.815 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1C ZINC001208452557 940332143 /nfs/dbraw/zinc/33/21/43/940332143.db2.gz RLKAIEHLTKOIPL-ZIAGYGMSSA-N 1 2 290.411 1.713 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1C ZINC001208452557 940332145 /nfs/dbraw/zinc/33/21/45/940332145.db2.gz RLKAIEHLTKOIPL-ZIAGYGMSSA-N 1 2 290.411 1.713 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](F)CCCCCC)[C@H](OC)C1 ZINC001213723233 940783707 /nfs/dbraw/zinc/78/37/07/940783707.db2.gz ALKVUPLGFAUMNM-RBSFLKMASA-N 1 2 298.402 1.744 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](F)CCCCCC)[C@H](OC)C1 ZINC001213723233 940783710 /nfs/dbraw/zinc/78/37/10/940783710.db2.gz ALKVUPLGFAUMNM-RBSFLKMASA-N 1 2 298.402 1.744 20 30 CDEDLO C#CCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csnn2)C1 ZINC001214529038 940827294 /nfs/dbraw/zinc/82/72/94/940827294.db2.gz JOQBEBRBDDODPY-DGCLKSJQSA-N 1 2 292.408 1.278 20 30 CDEDLO COc1ccccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001225214664 941831289 /nfs/dbraw/zinc/83/12/89/941831289.db2.gz IBHWQXYNYJAVJI-RBRDRRMGSA-N 1 2 261.321 1.686 20 30 CDEDLO COc1ccccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001225214664 941831290 /nfs/dbraw/zinc/83/12/90/941831290.db2.gz IBHWQXYNYJAVJI-RBRDRRMGSA-N 1 2 261.321 1.686 20 30 CDEDLO C=CCCC(=O)NC1CC[NH+](Cc2cn(CC)nn2)CC1 ZINC001226534343 942021440 /nfs/dbraw/zinc/02/14/40/942021440.db2.gz HGVBTHAPFWVKET-UHFFFAOYSA-N 1 2 291.399 1.345 20 30 CDEDLO Cc1cc(C[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)no1 ZINC001226617418 942035592 /nfs/dbraw/zinc/03/55/92/942035592.db2.gz HNPGPYVACCVMBY-JTQLQIEISA-N 1 2 276.340 1.223 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Oc1ccc(C#N)c(C#N)c1 ZINC001228261377 942285414 /nfs/dbraw/zinc/28/54/14/942285414.db2.gz XMRQHXWFVJEOMF-GFCCVEGCSA-N 1 2 271.320 1.529 20 30 CDEDLO CSCCC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230508536 942628013 /nfs/dbraw/zinc/62/80/13/942628013.db2.gz PEPHDCNACMHPLC-CQSZACIVSA-N 1 2 295.452 1.966 20 30 CDEDLO CSCCC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001230508536 942628015 /nfs/dbraw/zinc/62/80/15/942628015.db2.gz PEPHDCNACMHPLC-CQSZACIVSA-N 1 2 295.452 1.966 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)c1 ZINC001231621149 942946018 /nfs/dbraw/zinc/94/60/18/942946018.db2.gz RMLLBPQUQSXMBF-UONOGXRCSA-N 1 2 251.301 1.766 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)c1 ZINC001231621149 942946024 /nfs/dbraw/zinc/94/60/24/942946024.db2.gz RMLLBPQUQSXMBF-UONOGXRCSA-N 1 2 251.301 1.766 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc3ncccc3[nH]2)CC1 ZINC001232065439 943122622 /nfs/dbraw/zinc/12/26/22/943122622.db2.gz WGVQNYJVWIHECJ-UHFFFAOYSA-N 1 2 254.337 1.314 20 30 CDEDLO C#CCN1CC[NH+](Cc2cc3ncccc3[nH]2)CC1 ZINC001232065439 943122630 /nfs/dbraw/zinc/12/26/30/943122630.db2.gz WGVQNYJVWIHECJ-UHFFFAOYSA-N 1 2 254.337 1.314 20 30 CDEDLO C[C@]1(CO)CC[N@H+](Cc2ccc(Cl)cc2C#N)C[C@H]1O ZINC001232605043 943338301 /nfs/dbraw/zinc/33/83/01/943338301.db2.gz RINUWVCMBXQPQR-HUUCEWRRSA-N 1 2 294.782 1.777 20 30 CDEDLO C[C@]1(CO)CC[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@H]1O ZINC001232605043 943338305 /nfs/dbraw/zinc/33/83/05/943338305.db2.gz RINUWVCMBXQPQR-HUUCEWRRSA-N 1 2 294.782 1.777 20 30 CDEDLO COCCOC1C[NH+](Cc2ccc(C#N)cc2O)C1 ZINC001233388132 943573369 /nfs/dbraw/zinc/57/33/69/943573369.db2.gz NDRZRAGTCHEKJU-UHFFFAOYSA-N 1 2 262.309 1.111 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC(=O)N3CCC[C@@H]3C2)c(O)c1 ZINC001233387114 943574330 /nfs/dbraw/zinc/57/43/30/943574330.db2.gz VOAYZZRSPSRPCC-CYBMUJFWSA-N 1 2 271.320 1.070 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC(=O)N3CCC[C@@H]3C2)c(O)c1 ZINC001233387114 943574334 /nfs/dbraw/zinc/57/43/34/943574334.db2.gz VOAYZZRSPSRPCC-CYBMUJFWSA-N 1 2 271.320 1.070 20 30 CDEDLO N#CC1CC[NH+](Cc2ccc3c(n2)OCCO3)CC1 ZINC001233838305 943667326 /nfs/dbraw/zinc/66/73/26/943667326.db2.gz GTCTZVPYCZNCIB-UHFFFAOYSA-N 1 2 259.309 1.588 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)CC ZINC001233925935 943692290 /nfs/dbraw/zinc/69/22/90/943692290.db2.gz LGWZWKWHKBQTOS-UONOGXRCSA-N 1 2 295.427 1.258 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)CC ZINC001233925935 943692292 /nfs/dbraw/zinc/69/22/92/943692292.db2.gz LGWZWKWHKBQTOS-UONOGXRCSA-N 1 2 295.427 1.258 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C(F)F)n2CC2CC2)CC1 ZINC001263677631 943939692 /nfs/dbraw/zinc/93/96/92/943939692.db2.gz WNNJITHPHSKMCI-UHFFFAOYSA-N 1 2 295.337 1.381 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)c1ccsc1C#N ZINC001263923617 944033202 /nfs/dbraw/zinc/03/32/02/944033202.db2.gz GSTARUHZLWDBDL-UHFFFAOYSA-N 1 2 260.322 1.326 20 30 CDEDLO N#C[C@@H]1CC[N@H+](Cc2cccc(-n3cncn3)c2)C1 ZINC001236885279 944603455 /nfs/dbraw/zinc/60/34/55/944603455.db2.gz VAUGXGQAFQHDSN-ZDUSSCGKSA-N 1 2 253.309 1.613 20 30 CDEDLO N#C[C@@H]1CC[N@@H+](Cc2cccc(-n3cncn3)c2)C1 ZINC001236885279 944603465 /nfs/dbraw/zinc/60/34/65/944603465.db2.gz VAUGXGQAFQHDSN-ZDUSSCGKSA-N 1 2 253.309 1.613 20 30 CDEDLO N#Cc1cc(C[N@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)ccn1 ZINC001237462173 944794386 /nfs/dbraw/zinc/79/43/86/944794386.db2.gz HWZNXSGTELCVDB-NEPJUHHUSA-N 1 2 265.263 1.419 20 30 CDEDLO N#Cc1cc(C[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)ccn1 ZINC001237462173 944794394 /nfs/dbraw/zinc/79/43/94/944794394.db2.gz HWZNXSGTELCVDB-NEPJUHHUSA-N 1 2 265.263 1.419 20 30 CDEDLO NC(=O)c1cccc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)c1 ZINC001237693277 944928604 /nfs/dbraw/zinc/92/86/04/944928604.db2.gz RCNNHARXEVZAGJ-CYBMUJFWSA-N 1 2 288.372 1.560 20 30 CDEDLO NC(=O)c1cccc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)c1 ZINC001237693277 944928610 /nfs/dbraw/zinc/92/86/10/944928610.db2.gz RCNNHARXEVZAGJ-CYBMUJFWSA-N 1 2 288.372 1.560 20 30 CDEDLO C=CCC[C@@H](C)[NH2+][C@@H](CCC(=O)OC)C(=O)OC ZINC001258718987 945389350 /nfs/dbraw/zinc/38/93/50/945389350.db2.gz ZPINIAAIHPLUGH-MNOVXSKESA-N 1 2 257.330 1.426 20 30 CDEDLO COC(=O)[C@@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C1CCOCC1 ZINC001254637437 947564755 /nfs/dbraw/zinc/56/47/55/947564755.db2.gz PCJCTSAOKZPNCV-RTXFEEFZSA-N 1 2 266.341 1.236 20 30 CDEDLO CCOC(=O)[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C1CCOCC1 ZINC001254645279 947567485 /nfs/dbraw/zinc/56/74/85/947567485.db2.gz BLXQWUQTUGGUJF-MRVWCRGKSA-N 1 2 280.368 1.627 20 30 CDEDLO CCOC[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)Cc2nnn(C)c21 ZINC001254662220 947576754 /nfs/dbraw/zinc/57/67/54/947576754.db2.gz DBTKGFXAZBWJRW-FRRDWIJNSA-N 1 2 289.383 1.443 20 30 CDEDLO CCOC[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)Cc2nnn(C)c21 ZINC001254662220 947576758 /nfs/dbraw/zinc/57/67/58/947576758.db2.gz DBTKGFXAZBWJRW-FRRDWIJNSA-N 1 2 289.383 1.443 20 30 CDEDLO N#C[C@H]1CC[C@@H]([NH+]2CC(N3CCC(F)(F)C3)C2)C1 ZINC001254670695 947588121 /nfs/dbraw/zinc/58/81/21/947588121.db2.gz LFBAFEXQFUTVIG-WDEREUQCSA-N 1 2 255.312 1.704 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@@H](Oc2ncc(OC)cn2)C1 ZINC001255177254 947766657 /nfs/dbraw/zinc/76/66/57/947766657.db2.gz OWHPQUAHOIQDHT-NWDGAFQWSA-N 1 2 276.340 1.631 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CC[C@@H](Oc2ncc(OC)cn2)C1 ZINC001255177254 947766659 /nfs/dbraw/zinc/76/66/59/947766659.db2.gz OWHPQUAHOIQDHT-NWDGAFQWSA-N 1 2 276.340 1.631 20 30 CDEDLO C=C[C@@H]1C[C@@]1([NH2+]C1CCC2(CC1)OCCO2)C(=O)OCC ZINC001255617619 948033070 /nfs/dbraw/zinc/03/30/70/948033070.db2.gz PFSXWXSBDKYJDQ-WBMJQRKESA-N 1 2 295.379 1.770 20 30 CDEDLO N#C[C@H]1CN([C@H]2CCC[N@@H+](C3CCCC3)C2)CCC1=O ZINC001256921357 948457375 /nfs/dbraw/zinc/45/73/75/948457375.db2.gz ZAXQBZUJINYAIP-ZFWWWQNUSA-N 1 2 275.396 1.808 20 30 CDEDLO N#C[C@H]1CN([C@H]2CCC[N@H+](C3CCCC3)C2)CCC1=O ZINC001256921357 948457381 /nfs/dbraw/zinc/45/73/81/948457381.db2.gz ZAXQBZUJINYAIP-ZFWWWQNUSA-N 1 2 275.396 1.808 20 30 CDEDLO C#CC[C@H]([NH3+])c1nc(-c2ccc3c(c2)C(=O)CC3)no1 ZINC001247610364 948678038 /nfs/dbraw/zinc/67/80/38/948678038.db2.gz YZPLMCWTQAHLAH-LBPRGKRZSA-N 1 2 267.288 1.889 20 30 CDEDLO C#CC[C@H]([NH3+])c1nc(-c2cccc(S(C)(=O)=O)c2)no1 ZINC001247610308 948678516 /nfs/dbraw/zinc/67/85/16/948678516.db2.gz XHFWCWZHOXAUNV-NSHDSACASA-N 1 2 291.332 1.163 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cnn3ccc(C#N)cc23)CC1 ZINC001249107278 949388453 /nfs/dbraw/zinc/38/84/53/949388453.db2.gz ULRAUEKBQYQVFB-UHFFFAOYSA-N 1 2 294.362 1.237 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c1F ZINC001249671778 949746971 /nfs/dbraw/zinc/74/69/71/949746971.db2.gz DZYOBJRBGGHSNY-RYUDHWBXSA-N 1 2 252.264 1.602 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC[C@H](F)[C@@H](O)C2)c1F ZINC001249671778 949746977 /nfs/dbraw/zinc/74/69/77/949746977.db2.gz DZYOBJRBGGHSNY-RYUDHWBXSA-N 1 2 252.264 1.602 20 30 CDEDLO Cc1cc(-n2nc(C#N)c3cc(N)ccc32)c[nH+]c1N ZINC001249793641 949799014 /nfs/dbraw/zinc/79/90/14/949799014.db2.gz BJMDTXYUTSRISW-UHFFFAOYSA-N 1 2 264.292 1.765 20 30 CDEDLO C=CCOC[C@@H](O)C[NH+]1CC(Oc2ccccc2)C1 ZINC001252464837 951308488 /nfs/dbraw/zinc/30/84/88/951308488.db2.gz AXPDEJAFTZLXMP-ZDUSSCGKSA-N 1 2 263.337 1.313 20 30 CDEDLO C=C[C@](C)(O)C[NH2+][C@@H](CCSC)C(=O)OC(C)(C)C ZINC001252575410 951466728 /nfs/dbraw/zinc/46/67/28/951466728.db2.gz ZUQXXPQADQXCNG-FZMZJTMJSA-N 1 2 289.441 1.976 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001252603262 951499464 /nfs/dbraw/zinc/49/94/64/951499464.db2.gz RLBFBONAHKPGII-NAKRPEOUSA-N 1 2 265.275 1.718 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001252603262 951499467 /nfs/dbraw/zinc/49/94/67/951499467.db2.gz RLBFBONAHKPGII-NAKRPEOUSA-N 1 2 265.275 1.718 20 30 CDEDLO C=CCCCCCC[C@@H](O)C[N@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001253238800 951823360 /nfs/dbraw/zinc/82/33/60/951823360.db2.gz HWFCOCCOUIWKLH-MJBXVCDLSA-N 1 2 286.391 1.772 20 30 CDEDLO C=CCCCCCC[C@@H](O)C[N@@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001253238800 951823364 /nfs/dbraw/zinc/82/33/64/951823364.db2.gz HWFCOCCOUIWKLH-MJBXVCDLSA-N 1 2 286.391 1.772 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccn(C)n1 ZINC001364419423 954592470 /nfs/dbraw/zinc/59/24/70/954592470.db2.gz VCZBYSQGCVCHDN-VXGBXAGGSA-N 1 2 277.372 1.079 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1nnn(C)c1C)C1CC1 ZINC001493357359 972030693 /nfs/dbraw/zinc/03/06/93/972030693.db2.gz GAGVWWQQYIXSKE-UHFFFAOYSA-N 1 2 297.790 1.070 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1nnn(C)c1C)C1CC1 ZINC001493357359 972030699 /nfs/dbraw/zinc/03/06/99/972030699.db2.gz GAGVWWQQYIXSKE-UHFFFAOYSA-N 1 2 297.790 1.070 20 30 CDEDLO COc1ncc(NC(=O)Cc2[nH]c[nH+]c2C)cc1C#N ZINC001364748465 955132055 /nfs/dbraw/zinc/13/20/55/955132055.db2.gz JPGMKQJRZZGBNR-UHFFFAOYSA-N 1 2 271.280 1.175 20 30 CDEDLO CCC[N@H+](CC#CCOC)[C@@H](CC)C(=O)OCC ZINC001307680350 956432477 /nfs/dbraw/zinc/43/24/77/956432477.db2.gz RGFKOGVUHDFWBO-ZDUSSCGKSA-N 1 2 255.358 1.690 20 30 CDEDLO CCC[N@@H+](CC#CCOC)[C@@H](CC)C(=O)OCC ZINC001307680350 956432486 /nfs/dbraw/zinc/43/24/86/956432486.db2.gz RGFKOGVUHDFWBO-ZDUSSCGKSA-N 1 2 255.358 1.690 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCc2nc(C)no2)C1 ZINC001365982206 956489203 /nfs/dbraw/zinc/48/92/03/956489203.db2.gz HGPNQUMVCSFKPT-LLVKDONJSA-N 1 2 298.774 1.254 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCc2nc(C)no2)C1 ZINC001365982206 956489210 /nfs/dbraw/zinc/48/92/10/956489210.db2.gz HGPNQUMVCSFKPT-LLVKDONJSA-N 1 2 298.774 1.254 20 30 CDEDLO C#Cc1cccc(NC(=O)CNC(=O)[C@@H](C)n2cc[nH+]c2)c1 ZINC001317997990 957847769 /nfs/dbraw/zinc/84/77/69/957847769.db2.gz JHVZOSBDHXPNST-GFCCVEGCSA-N 1 2 296.330 1.180 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(CC)nn1C ZINC001367848954 958430606 /nfs/dbraw/zinc/43/06/06/958430606.db2.gz LCMMREJIBDZGJU-LLVKDONJSA-N 1 2 298.818 1.785 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(CC)nn1C ZINC001367848954 958430616 /nfs/dbraw/zinc/43/06/16/958430616.db2.gz LCMMREJIBDZGJU-LLVKDONJSA-N 1 2 298.818 1.785 20 30 CDEDLO C[C@H]1CCc2nc(C[NH2+][C@H]3CCCN(O)C3=O)sc2C1 ZINC001334375364 959066687 /nfs/dbraw/zinc/06/66/87/959066687.db2.gz OKFKKCJFNWWQDB-ONGXEEELSA-N 1 2 295.408 1.738 20 30 CDEDLO C#CCNC(=O)C[NH+]1CCC(C(=O)c2cccs2)CC1 ZINC001322387667 960204427 /nfs/dbraw/zinc/20/44/27/960204427.db2.gz QFUSNLNJXMEHSW-UHFFFAOYSA-N 1 2 290.388 1.392 20 30 CDEDLO C=C(Cl)CN(C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001420252763 962631399 /nfs/dbraw/zinc/63/13/99/962631399.db2.gz JVPMYFJQXUMZHQ-GFCCVEGCSA-N 1 2 296.802 1.246 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cn(C)nc1C ZINC001420369941 962806691 /nfs/dbraw/zinc/80/66/91/962806691.db2.gz PSNQERZZMNPYME-UHFFFAOYSA-N 1 2 284.791 1.533 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cn(C)nc1C ZINC001420369941 962806705 /nfs/dbraw/zinc/80/67/05/962806705.db2.gz PSNQERZZMNPYME-UHFFFAOYSA-N 1 2 284.791 1.533 20 30 CDEDLO C=C(Cl)CN1CC(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001438156773 963344507 /nfs/dbraw/zinc/34/45/07/963344507.db2.gz CIXYLVCJUOHVRH-UHFFFAOYSA-N 1 2 296.802 1.464 20 30 CDEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1C ZINC001341798524 963544706 /nfs/dbraw/zinc/54/47/06/963544706.db2.gz RUULBRBUUMMPDS-STQMWFEESA-N 1 2 291.399 1.055 20 30 CDEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1C ZINC001341798524 963544711 /nfs/dbraw/zinc/54/47/11/963544711.db2.gz RUULBRBUUMMPDS-STQMWFEESA-N 1 2 291.399 1.055 20 30 CDEDLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)[C@H](C#N)c1ccncn1 ZINC001343241138 963935721 /nfs/dbraw/zinc/93/57/21/963935721.db2.gz MWNPLIYJQFYXIE-DGCLKSJQSA-N 1 2 258.325 1.526 20 30 CDEDLO CC(C)[N@H+]1CCC[C@@H]1C(=O)[C@H](C#N)c1ccncn1 ZINC001343241138 963935724 /nfs/dbraw/zinc/93/57/24/963935724.db2.gz MWNPLIYJQFYXIE-DGCLKSJQSA-N 1 2 258.325 1.526 20 30 CDEDLO N#C[C@H]1CCCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC001348800059 966182091 /nfs/dbraw/zinc/18/20/91/966182091.db2.gz AKTGWHKNEPFLDA-LLVKDONJSA-N 1 2 297.318 1.035 20 30 CDEDLO C=CC[NH+]1CCN(C(=S)NCCCCC)CC1 ZINC001200051137 967310034 /nfs/dbraw/zinc/31/00/34/967310034.db2.gz FFCMGYQBUKILMD-UHFFFAOYSA-N 1 2 255.431 1.855 20 30 CDEDLO Cc1cc(N(C)CCNC(=O)C#CC2CC2)nc(C2CC2)[nH+]1 ZINC001100061115 967339157 /nfs/dbraw/zinc/33/91/57/967339157.db2.gz MHLMLOATHZJQCO-UHFFFAOYSA-N 1 2 298.390 1.628 20 30 CDEDLO CC[NH+](CC)CC(=O)Nc1nc(-c2cccc(C#N)c2)n[nH]1 ZINC001458046246 969252695 /nfs/dbraw/zinc/25/26/95/969252695.db2.gz VEIYSCSWENVPKA-UHFFFAOYSA-N 1 2 298.350 1.624 20 30 CDEDLO C#C[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000848748756 969269509 /nfs/dbraw/zinc/26/95/09/969269509.db2.gz BFELPIZZTGCNDM-ZDUSSCGKSA-N 1 2 272.352 1.163 20 30 CDEDLO C#C[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000848748756 969269517 /nfs/dbraw/zinc/26/95/17/969269517.db2.gz BFELPIZZTGCNDM-ZDUSSCGKSA-N 1 2 272.352 1.163 20 30 CDEDLO N#CCOc1cccc(NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC001361843206 970594785 /nfs/dbraw/zinc/59/47/85/970594785.db2.gz GDWAHLFTHMLCAS-UHFFFAOYSA-N 1 2 270.292 1.883 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)c(F)c1 ZINC001361866936 970620290 /nfs/dbraw/zinc/62/02/90/970620290.db2.gz DUFMHMUHILCMOX-UHFFFAOYSA-N 1 2 270.267 1.591 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccn(CC)n1)C1CC1 ZINC001372869586 973181325 /nfs/dbraw/zinc/18/13/25/973181325.db2.gz HYAGJQSRYYLVED-UHFFFAOYSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccn(CC)n1)C1CC1 ZINC001372869586 973181327 /nfs/dbraw/zinc/18/13/27/973181327.db2.gz HYAGJQSRYYLVED-UHFFFAOYSA-N 1 2 296.802 1.850 20 30 CDEDLO C[C@@H](C#N)C(=O)NC1C[NH+](CCCc2cccc(F)c2)C1 ZINC001373419599 973429343 /nfs/dbraw/zinc/42/93/43/973429343.db2.gz ZTALTLSICQGLHP-LBPRGKRZSA-N 1 2 289.354 1.718 20 30 CDEDLO N#Cc1cccc([C@@H]2CN(c3cc(N)nc[nH+]3)CCO2)c1 ZINC001548514212 974851839 /nfs/dbraw/zinc/85/18/39/974851839.db2.gz VKEATAMWDIRSSB-ZDUSSCGKSA-N 1 2 281.319 1.508 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001377197283 974921890 /nfs/dbraw/zinc/92/18/90/974921890.db2.gz GOUNWDKCRUHNQP-RWMBFGLXSA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001377197283 974921894 /nfs/dbraw/zinc/92/18/94/974921894.db2.gz GOUNWDKCRUHNQP-RWMBFGLXSA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)CN(C)CCN(C)C(=O)CCc1c[nH+]cn1C ZINC001379123751 975667297 /nfs/dbraw/zinc/66/72/97/975667297.db2.gz KWDBVEMKCIJREW-UHFFFAOYSA-N 1 2 298.818 1.495 20 30 CDEDLO CC(C)(F)C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001401862987 975957535 /nfs/dbraw/zinc/95/75/35/975957535.db2.gz CAVBVIHHFHFKTA-CQSZACIVSA-N 1 2 289.354 1.997 20 30 CDEDLO CC(C)(F)C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001401862987 975957547 /nfs/dbraw/zinc/95/75/47/975957547.db2.gz CAVBVIHHFHFKTA-CQSZACIVSA-N 1 2 289.354 1.997 20 30 CDEDLO C[C@H](C#N)C(=O)NC1(C)CC[NH+](Cc2ncccn2)CC1 ZINC001380299622 976339222 /nfs/dbraw/zinc/33/92/22/976339222.db2.gz PKZNJNABAKLKCY-GFCCVEGCSA-N 1 2 287.367 1.107 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)Cc2csc(C)n2)C1 ZINC001400580833 977103612 /nfs/dbraw/zinc/10/36/12/977103612.db2.gz TWWAFCBOOBBXBQ-UHFFFAOYSA-N 1 2 299.827 1.795 20 30 CDEDLO Cc1cnc([C@@H](C)[N@@H+](CCNC(=O)[C@H](C)C#N)C2CC2)o1 ZINC001404208431 977369391 /nfs/dbraw/zinc/36/93/91/977369391.db2.gz BZEZHGVXVVFHKJ-ZYHUDNBSSA-N 1 2 290.367 1.784 20 30 CDEDLO Cc1cnc([C@@H](C)[N@H+](CCNC(=O)[C@H](C)C#N)C2CC2)o1 ZINC001404208431 977369397 /nfs/dbraw/zinc/36/93/97/977369397.db2.gz BZEZHGVXVVFHKJ-ZYHUDNBSSA-N 1 2 290.367 1.784 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1snnc1C ZINC001394037731 978017316 /nfs/dbraw/zinc/01/73/16/978017316.db2.gz UGRABDPSJZUIOG-MRVPVSSYSA-N 1 2 288.804 1.649 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1snnc1C ZINC001394037731 978017324 /nfs/dbraw/zinc/01/73/24/978017324.db2.gz UGRABDPSJZUIOG-MRVPVSSYSA-N 1 2 288.804 1.649 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001132650886 1163424746 /nfs/dbraw/zinc/42/47/46/1163424746.db2.gz PUOXQFAECXVARR-NSHDSACASA-N 1 2 292.383 1.755 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[NH2+]Cc1nn(C)cc1Cl ZINC001132660737 1163429300 /nfs/dbraw/zinc/42/93/00/1163429300.db2.gz RYEHOJLKXXUTRJ-LLVKDONJSA-N 1 2 298.818 1.882 20 30 CDEDLO C=C1CCC(C(=O)NCC[NH2+]Cc2nc(C)no2)CC1 ZINC001133368664 1163658299 /nfs/dbraw/zinc/65/82/99/1163658299.db2.gz CYLSJGKRQHEEMK-UHFFFAOYSA-N 1 2 278.356 1.330 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001133378574 1163662496 /nfs/dbraw/zinc/66/24/96/1163662496.db2.gz HJDJCRDOGYAFFQ-AWEZNQCLSA-N 1 2 280.372 1.440 20 30 CDEDLO CCc1cc(C#N)ccc1OC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC001573825610 1170790597 /nfs/dbraw/zinc/79/05/97/1170790597.db2.gz DBJNNTKNHWRXEC-BBRMVZONSA-N 1 2 288.347 1.793 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC1(CC#N)CC1)C1CC1 ZINC000588189617 342494055 /nfs/dbraw/zinc/49/40/55/342494055.db2.gz VBNNYBBNMAYWGU-LBPRGKRZSA-N 1 2 287.367 1.864 20 30 CDEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cccc(C#N)n3)n2)C1 ZINC000589369100 342504617 /nfs/dbraw/zinc/50/46/17/342504617.db2.gz SAKVUTBRLFPWAS-CYBMUJFWSA-N 1 2 299.334 1.785 20 30 CDEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cccc(C#N)n3)n2)C1 ZINC000589369100 342504618 /nfs/dbraw/zinc/50/46/18/342504618.db2.gz SAKVUTBRLFPWAS-CYBMUJFWSA-N 1 2 299.334 1.785 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)c1cccc(C#N)n1 ZINC000589455081 342506303 /nfs/dbraw/zinc/50/63/03/342506303.db2.gz ATYBYFDCKXHYCM-UHFFFAOYSA-N 1 2 269.308 1.312 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(O)cc(C#N)c1 ZINC000589168117 342498734 /nfs/dbraw/zinc/49/87/34/342498734.db2.gz NSICCOLSRPLGDA-JTQLQIEISA-N 1 2 270.292 1.279 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000590162502 342523649 /nfs/dbraw/zinc/52/36/49/342523649.db2.gz UEUFVVOQSPHZAV-XQQFMLRXSA-N 1 2 280.368 1.721 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000590162502 342523650 /nfs/dbraw/zinc/52/36/50/342523650.db2.gz UEUFVVOQSPHZAV-XQQFMLRXSA-N 1 2 280.368 1.721 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CC(C#N)C1 ZINC000590482023 342562317 /nfs/dbraw/zinc/56/23/17/342562317.db2.gz AYLRJJPVDGJFPL-UHFFFAOYSA-N 1 2 268.320 1.717 20 30 CDEDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000087832700 361756731 /nfs/dbraw/zinc/75/67/31/361756731.db2.gz AYPYIGJRVKBHFA-CYBMUJFWSA-N 1 2 274.320 1.704 20 30 CDEDLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000087832700 361756734 /nfs/dbraw/zinc/75/67/34/361756734.db2.gz AYPYIGJRVKBHFA-CYBMUJFWSA-N 1 2 274.320 1.704 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)c1cc2ccccc2n1CC#N ZINC000609175496 342093024 /nfs/dbraw/zinc/09/30/24/342093024.db2.gz WVQYKDYOQFLCMB-UHFFFAOYSA-N 1 2 293.330 1.828 20 30 CDEDLO N#Cc1ccc2c(c1)CCN2C(=O)CCn1cc[nH+]c1 ZINC000591312870 342625125 /nfs/dbraw/zinc/62/51/25/342625125.db2.gz GREZTXVFCOLGDI-UHFFFAOYSA-N 1 2 266.304 1.734 20 30 CDEDLO COCC[N@H+](CCC#N)C[C@@H](O)Cc1ccccc1 ZINC000591845188 342649602 /nfs/dbraw/zinc/64/96/02/342649602.db2.gz JTURDAVVFJJGSC-HNNXBMFYSA-N 1 2 262.353 1.452 20 30 CDEDLO COCC[N@@H+](CCC#N)C[C@@H](O)Cc1ccccc1 ZINC000591845188 342649603 /nfs/dbraw/zinc/64/96/03/342649603.db2.gz JTURDAVVFJJGSC-HNNXBMFYSA-N 1 2 262.353 1.452 20 30 CDEDLO N#CC[C@]1(O)CCN(Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000592151176 342668951 /nfs/dbraw/zinc/66/89/51/342668951.db2.gz NRQVRWWOJZWJSO-NSHDSACASA-N 1 2 288.273 1.296 20 30 CDEDLO C=CCOC[C@H]([NH2+]C1CCC(F)(F)CC1)C(=O)OC ZINC000592510636 342700038 /nfs/dbraw/zinc/70/00/38/342700038.db2.gz NEVHQXQIPBBSHA-NSHDSACASA-N 1 2 277.311 1.898 20 30 CDEDLO CCc1nnc(C[NH2+]Cc2cc(C#N)n(C)c2)s1 ZINC000289869321 361867848 /nfs/dbraw/zinc/86/78/48/361867848.db2.gz RAYHDSFPYYQVEL-UHFFFAOYSA-N 1 2 261.354 1.600 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc3n(n2)CCCC3)C1 ZINC000593036334 342756275 /nfs/dbraw/zinc/75/62/75/342756275.db2.gz ZALCXSQYLIBTAH-CQSZACIVSA-N 1 2 260.341 1.070 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc3n(n2)CCCC3)C1 ZINC000593036334 342756276 /nfs/dbraw/zinc/75/62/76/342756276.db2.gz ZALCXSQYLIBTAH-CQSZACIVSA-N 1 2 260.341 1.070 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)[C@@H](CC)CO1 ZINC000593059682 342760697 /nfs/dbraw/zinc/76/06/97/342760697.db2.gz SGTUPPMNQIUTBJ-QWHCGFSZSA-N 1 2 279.384 1.438 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)[C@@H](CC)CO1 ZINC000593059682 342760699 /nfs/dbraw/zinc/76/06/99/342760699.db2.gz SGTUPPMNQIUTBJ-QWHCGFSZSA-N 1 2 279.384 1.438 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000593407517 342791857 /nfs/dbraw/zinc/79/18/57/342791857.db2.gz NILJHUPMNQHKCS-CYBMUJFWSA-N 1 2 290.367 1.485 20 30 CDEDLO CC[C@@H](C#N)C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000593735393 342830932 /nfs/dbraw/zinc/83/09/32/342830932.db2.gz XPOXOYVLVHUQFW-WDEREUQCSA-N 1 2 260.341 1.879 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(OC)c(OC)c1 ZINC000594008989 342863019 /nfs/dbraw/zinc/86/30/19/342863019.db2.gz SUEPXUZEVLOABO-LLVKDONJSA-N 1 2 291.351 1.924 20 30 CDEDLO N#Cc1cccc(C[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)c1 ZINC000594510488 342912723 /nfs/dbraw/zinc/91/27/23/342912723.db2.gz MHTKFPIXSUUIJJ-ZDUSSCGKSA-N 1 2 283.335 1.818 20 30 CDEDLO C=CCOc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000092006753 342233558 /nfs/dbraw/zinc/23/35/58/342233558.db2.gz LYYLUUILZPHIHE-IUODEOHRSA-N 1 2 290.363 1.326 20 30 CDEDLO C=CCOc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000092006753 342233559 /nfs/dbraw/zinc/23/35/59/342233559.db2.gz LYYLUUILZPHIHE-IUODEOHRSA-N 1 2 290.363 1.326 20 30 CDEDLO COCC[N@H+](C)Cc1cn(CC2(CC#N)CC2)nn1 ZINC000594652944 342934329 /nfs/dbraw/zinc/93/43/29/342934329.db2.gz VYLKDORGYUFEPL-UHFFFAOYSA-N 1 2 263.345 1.050 20 30 CDEDLO COCC[N@@H+](C)Cc1cn(CC2(CC#N)CC2)nn1 ZINC000594652944 342934331 /nfs/dbraw/zinc/93/43/31/342934331.db2.gz VYLKDORGYUFEPL-UHFFFAOYSA-N 1 2 263.345 1.050 20 30 CDEDLO Cn1ncc(C2CC2)c1C[NH2+]C[C@H](C#N)CCC#N ZINC000594728483 342956992 /nfs/dbraw/zinc/95/69/92/342956992.db2.gz OOFGQLAOPRCOCR-NSHDSACASA-N 1 2 257.341 1.831 20 30 CDEDLO Cc1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cc1C#N ZINC000599354932 344022800 /nfs/dbraw/zinc/02/28/00/344022800.db2.gz YRTPGWHHBCGNTH-OAHLLOKOSA-N 1 2 269.348 1.673 20 30 CDEDLO Cc1ccc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)cc1C#N ZINC000599354932 344022802 /nfs/dbraw/zinc/02/28/02/344022802.db2.gz YRTPGWHHBCGNTH-OAHLLOKOSA-N 1 2 269.348 1.673 20 30 CDEDLO C[N@H+](CCOc1ccc(C#N)cc1)Cc1nnc2n1CCC2 ZINC000079915438 342348464 /nfs/dbraw/zinc/34/84/64/342348464.db2.gz OEECHKTZAHPXNQ-UHFFFAOYSA-N 1 2 297.362 1.607 20 30 CDEDLO C[N@@H+](CCOc1ccc(C#N)cc1)Cc1nnc2n1CCC2 ZINC000079915438 342348465 /nfs/dbraw/zinc/34/84/65/342348465.db2.gz OEECHKTZAHPXNQ-UHFFFAOYSA-N 1 2 297.362 1.607 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1nc([C@H](C)SCC)no1 ZINC000595864109 343175377 /nfs/dbraw/zinc/17/53/77/343175377.db2.gz QJHCPVBBKDBDPL-DTWKUNHWSA-N 1 2 257.359 1.520 20 30 CDEDLO Cc1ccc(C)c(OC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000083219215 342376651 /nfs/dbraw/zinc/37/66/51/342376651.db2.gz UZUIPVNFKHODRZ-AWEZNQCLSA-N 1 2 262.353 1.889 20 30 CDEDLO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000083219215 342376652 /nfs/dbraw/zinc/37/66/52/342376652.db2.gz UZUIPVNFKHODRZ-AWEZNQCLSA-N 1 2 262.353 1.889 20 30 CDEDLO Cc1nsc(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c1C#N ZINC000596432725 343319915 /nfs/dbraw/zinc/31/99/15/343319915.db2.gz SGHZHADJXVZPDM-NXEZZACHSA-N 1 2 280.397 1.844 20 30 CDEDLO Cc1nsc(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c1C#N ZINC000596432725 343319917 /nfs/dbraw/zinc/31/99/17/343319917.db2.gz SGHZHADJXVZPDM-NXEZZACHSA-N 1 2 280.397 1.844 20 30 CDEDLO Cc1cc(NC[C@H]2CC(=O)N(C(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000596521899 343334143 /nfs/dbraw/zinc/33/41/43/343334143.db2.gz UFHWBOWQMLIHQQ-GFCCVEGCSA-N 1 2 286.379 1.743 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000596617461 343357253 /nfs/dbraw/zinc/35/72/53/343357253.db2.gz JLALIFVHYHRFKN-CHWSQXEVSA-N 1 2 255.358 1.851 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000596617461 343357255 /nfs/dbraw/zinc/35/72/55/343357255.db2.gz JLALIFVHYHRFKN-CHWSQXEVSA-N 1 2 255.358 1.851 20 30 CDEDLO C=CC[C@@H]1N(C(=O)[C@@H]2C[N@H+](C)CCO2)CCCC1(C)C ZINC000444333546 362183218 /nfs/dbraw/zinc/18/32/18/362183218.db2.gz ZUFNCCOVYKOZRZ-KBPBESRZSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CC[C@@H]1N(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCCC1(C)C ZINC000444333546 362183225 /nfs/dbraw/zinc/18/32/25/362183225.db2.gz ZUFNCCOVYKOZRZ-KBPBESRZSA-N 1 2 280.412 1.910 20 30 CDEDLO COC(=O)[C@]1([NH2+]CCCCC(C)(C)C#N)CCOC1 ZINC000444680637 362196882 /nfs/dbraw/zinc/19/68/82/362196882.db2.gz GNQLQHLGUOCUSP-AWEZNQCLSA-N 1 2 268.357 1.628 20 30 CDEDLO CC1=CC[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC000535883060 282293807 /nfs/dbraw/zinc/29/38/07/282293807.db2.gz OGJWKZXLAAQXHL-HNNXBMFYSA-N 1 2 295.342 1.842 20 30 CDEDLO CC1=CC[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC000535883060 282293810 /nfs/dbraw/zinc/29/38/10/282293810.db2.gz OGJWKZXLAAQXHL-HNNXBMFYSA-N 1 2 295.342 1.842 20 30 CDEDLO C[C@H](C#N)N(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000598130068 343722137 /nfs/dbraw/zinc/72/21/37/343722137.db2.gz NKPSGHKIGYERPW-GHMZBOCLSA-N 1 2 258.325 1.349 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000619721893 349872147 /nfs/dbraw/zinc/87/21/47/349872147.db2.gz YFEREBWVDXXORV-OLZOCXBDSA-N 1 2 253.342 1.605 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000619721893 349872149 /nfs/dbraw/zinc/87/21/49/349872149.db2.gz YFEREBWVDXXORV-OLZOCXBDSA-N 1 2 253.342 1.605 20 30 CDEDLO Cc1onc(CC(=O)N[C@H](C)c2[nH+]ccn2C)c1C#N ZINC000598464368 343805954 /nfs/dbraw/zinc/80/59/54/343805954.db2.gz JARYJGFDEURLKO-MRVPVSSYSA-N 1 2 273.296 1.008 20 30 CDEDLO N#CCc1cccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000598949959 343933688 /nfs/dbraw/zinc/93/36/88/343933688.db2.gz YCGKFPGXKBKOFR-CQSZACIVSA-N 1 2 280.331 1.694 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2ncsc2C1 ZINC000445861344 362276497 /nfs/dbraw/zinc/27/64/97/362276497.db2.gz AKDJHHKGPHWNRB-JTQLQIEISA-N 1 2 278.381 1.262 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCc2ncsc2C1 ZINC000445861344 362276505 /nfs/dbraw/zinc/27/65/05/362276505.db2.gz AKDJHHKGPHWNRB-JTQLQIEISA-N 1 2 278.381 1.262 20 30 CDEDLO N#CCCn1[nH]c2c(c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000601931569 344284228 /nfs/dbraw/zinc/28/42/28/344284228.db2.gz MBFWSBPSKQPDBH-CQSZACIVSA-N 1 2 282.347 1.620 20 30 CDEDLO N#CCCn1[nH]c2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000601931569 344284231 /nfs/dbraw/zinc/28/42/31/344284231.db2.gz MBFWSBPSKQPDBH-CQSZACIVSA-N 1 2 282.347 1.620 20 30 CDEDLO Cc1cn2ccc(C(=O)NC3(C#N)CCOCC3)cc2[nH+]1 ZINC000602103869 344336383 /nfs/dbraw/zinc/33/63/83/344336383.db2.gz QMYAMSMESRGSFF-UHFFFAOYSA-N 1 2 284.319 1.445 20 30 CDEDLO C[C@H](C#N)C[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000602608156 344491986 /nfs/dbraw/zinc/49/19/86/344491986.db2.gz QDZGYXZFIVZQTE-MRVPVSSYSA-N 1 2 294.156 1.741 20 30 CDEDLO CC[C@@H](C)NC(=O)CN1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602766483 344572975 /nfs/dbraw/zinc/57/29/75/344572975.db2.gz LOAVXQNOKMCDHJ-CQSZACIVSA-N 1 2 292.427 1.213 20 30 CDEDLO CCOC[C@@H](C(=O)OC)[N@H+](C)CC1(CC#N)CC1 ZINC000602797549 344587895 /nfs/dbraw/zinc/58/78/95/344587895.db2.gz MQLWLSWRSCGGQY-NSHDSACASA-N 1 2 254.330 1.190 20 30 CDEDLO CCOC[C@@H](C(=O)OC)[N@@H+](C)CC1(CC#N)CC1 ZINC000602797549 344587897 /nfs/dbraw/zinc/58/78/97/344587897.db2.gz MQLWLSWRSCGGQY-NSHDSACASA-N 1 2 254.330 1.190 20 30 CDEDLO N#CCC1(C[NH+]2CCN(c3ncc(F)cn3)CC2)CC1 ZINC000602806939 344615779 /nfs/dbraw/zinc/61/57/79/344615779.db2.gz GMJHVRBEBSQBQE-UHFFFAOYSA-N 1 2 275.331 1.432 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000602861664 344617395 /nfs/dbraw/zinc/61/73/95/344617395.db2.gz HATKLNUPSGZXQK-BSTQEOMGSA-N 1 2 275.396 1.819 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000602870435 344641258 /nfs/dbraw/zinc/64/12/58/344641258.db2.gz TVLFVEYDBJPPCB-VIFPVBQESA-N 1 2 261.281 1.246 20 30 CDEDLO C[C@@H](CCC#N)[N@@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000603023136 344693461 /nfs/dbraw/zinc/69/34/61/344693461.db2.gz ASGDBGRVYFBNCN-NSHDSACASA-N 1 2 293.392 1.384 20 30 CDEDLO C[C@@H](CCC#N)[N@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000603023136 344693463 /nfs/dbraw/zinc/69/34/63/344693463.db2.gz ASGDBGRVYFBNCN-NSHDSACASA-N 1 2 293.392 1.384 20 30 CDEDLO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612167700 347066078 /nfs/dbraw/zinc/06/60/78/347066078.db2.gz UXSJGCZGJSVFLB-IUODEOHRSA-N 1 2 294.399 1.482 20 30 CDEDLO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612167700 347066080 /nfs/dbraw/zinc/06/60/80/347066080.db2.gz UXSJGCZGJSVFLB-IUODEOHRSA-N 1 2 294.399 1.482 20 30 CDEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000609485062 344913661 /nfs/dbraw/zinc/91/36/61/344913661.db2.gz YCQCJKMRJQTNIH-GFCCVEGCSA-N 1 2 293.333 1.731 20 30 CDEDLO Cc1noc(C)c1C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609485871 344914929 /nfs/dbraw/zinc/91/49/29/344914929.db2.gz ZATDJVWJLCIWMP-OAHLLOKOSA-N 1 2 276.384 1.957 20 30 CDEDLO C=CCC[N@@H+](CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C ZINC000338562437 345131552 /nfs/dbraw/zinc/13/15/52/345131552.db2.gz CFDDPDSHRSOANE-GFCCVEGCSA-N 1 2 284.400 1.731 20 30 CDEDLO C=CCC[N@H+](CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C ZINC000338562437 345131555 /nfs/dbraw/zinc/13/15/55/345131555.db2.gz CFDDPDSHRSOANE-GFCCVEGCSA-N 1 2 284.400 1.731 20 30 CDEDLO C=C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC ZINC000619856039 349937950 /nfs/dbraw/zinc/93/79/50/349937950.db2.gz FZROMPXRRLQFIS-RNJOBUHISA-N 1 2 255.358 1.897 20 30 CDEDLO C=CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H](C)COC ZINC000617583868 345870052 /nfs/dbraw/zinc/87/00/52/345870052.db2.gz REATXPBCIBUFNE-STQMWFEESA-N 1 2 277.368 1.495 20 30 CDEDLO COCC[N@H+](CCC#N)C[C@H](O)COc1cccc(C)c1 ZINC000610511763 346300724 /nfs/dbraw/zinc/30/07/24/346300724.db2.gz WARYJOGRVIMCCD-HNNXBMFYSA-N 1 2 292.379 1.597 20 30 CDEDLO COCC[N@@H+](CCC#N)C[C@H](O)COc1cccc(C)c1 ZINC000610511763 346300728 /nfs/dbraw/zinc/30/07/28/346300728.db2.gz WARYJOGRVIMCCD-HNNXBMFYSA-N 1 2 292.379 1.597 20 30 CDEDLO N#Cc1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)cn1 ZINC000610541814 346307908 /nfs/dbraw/zinc/30/79/08/346307908.db2.gz NEGXTRWSKOABOM-CQSZACIVSA-N 1 2 253.309 1.991 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058889251 346627858 /nfs/dbraw/zinc/62/78/58/346627858.db2.gz VDZOBEGFUXEWIX-QVHKTLOISA-N 1 2 281.400 1.539 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058889251 346627863 /nfs/dbraw/zinc/62/78/63/346627863.db2.gz VDZOBEGFUXEWIX-QVHKTLOISA-N 1 2 281.400 1.539 20 30 CDEDLO Cc1cc(C[NH+]2CCN(CC3(C#N)CC3)CC2)on1 ZINC000611429086 346787150 /nfs/dbraw/zinc/78/71/50/346787150.db2.gz XMQNWNGGYVCWEX-UHFFFAOYSA-N 1 2 260.341 1.404 20 30 CDEDLO COCC[N@@H+](CCC#N)CCO[C@H]1CCCCO1 ZINC000612432974 347155976 /nfs/dbraw/zinc/15/59/76/347155976.db2.gz XABRALZOCQJWTE-ZDUSSCGKSA-N 1 2 256.346 1.392 20 30 CDEDLO COCC[N@H+](CCC#N)CCO[C@H]1CCCCO1 ZINC000612432974 347155980 /nfs/dbraw/zinc/15/59/80/347155980.db2.gz XABRALZOCQJWTE-ZDUSSCGKSA-N 1 2 256.346 1.392 20 30 CDEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CC2(C#N)CCC2)C1 ZINC000450580578 362836342 /nfs/dbraw/zinc/83/63/42/362836342.db2.gz CREPKURIRJBIHQ-LBPRGKRZSA-N 1 2 285.413 1.082 20 30 CDEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CC2(C#N)CCC2)C1 ZINC000450580578 362836347 /nfs/dbraw/zinc/83/63/47/362836347.db2.gz CREPKURIRJBIHQ-LBPRGKRZSA-N 1 2 285.413 1.082 20 30 CDEDLO CC[N@@H+](CC(=O)NC(=O)Nc1ccccc1)C[C@H](C)C#N ZINC000066424273 347485652 /nfs/dbraw/zinc/48/56/52/347485652.db2.gz SMTNYTBKHVLFCT-GFCCVEGCSA-N 1 2 288.351 1.816 20 30 CDEDLO CC[N@H+](CC(=O)NC(=O)Nc1ccccc1)C[C@H](C)C#N ZINC000066424273 347485656 /nfs/dbraw/zinc/48/56/56/347485656.db2.gz SMTNYTBKHVLFCT-GFCCVEGCSA-N 1 2 288.351 1.816 20 30 CDEDLO C#CCn1ccc(CN(CC)c2cc(NC3CC3)[nH+]cn2)n1 ZINC000491475386 347583163 /nfs/dbraw/zinc/58/31/63/347583163.db2.gz WGTWPWBBIQSRPK-UHFFFAOYSA-N 1 2 296.378 1.907 20 30 CDEDLO C#CCn1ccc(CN(CC)c2cc(NC3CC3)nc[nH+]2)n1 ZINC000491475386 347583167 /nfs/dbraw/zinc/58/31/67/347583167.db2.gz WGTWPWBBIQSRPK-UHFFFAOYSA-N 1 2 296.378 1.907 20 30 CDEDLO CCOC(=O)c1nn(C)cc1C[NH2+]CC(C)(C)C#N ZINC000613746437 347885084 /nfs/dbraw/zinc/88/50/84/347885084.db2.gz YIOUWVAFMRVDBU-UHFFFAOYSA-N 1 2 264.329 1.236 20 30 CDEDLO C=C[C@H]([NH2+][C@H]1CCc2cc(OC)ccc2C1)C(=O)OC ZINC000619703529 347961955 /nfs/dbraw/zinc/96/19/55/347961955.db2.gz MUVNLPGRCQNOGZ-ZFWWWQNUSA-N 1 2 275.348 1.870 20 30 CDEDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CC1(C#N)CCC1 ZINC000450766129 362897106 /nfs/dbraw/zinc/89/71/06/362897106.db2.gz SJJBEIVRQLKPLZ-LLVKDONJSA-N 1 2 251.374 1.915 20 30 CDEDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CC1(C#N)CCC1 ZINC000450766129 362897110 /nfs/dbraw/zinc/89/71/10/362897110.db2.gz SJJBEIVRQLKPLZ-LLVKDONJSA-N 1 2 251.374 1.915 20 30 CDEDLO Cc1c(OC[C@H](O)C[N@H+](C)CCC#N)cccc1[N+](=O)[O-] ZINC000414149068 362924956 /nfs/dbraw/zinc/92/49/56/362924956.db2.gz ULXHZKHLRIGNSC-GFCCVEGCSA-N 1 2 293.323 1.488 20 30 CDEDLO Cc1c(OC[C@H](O)C[N@@H+](C)CCC#N)cccc1[N+](=O)[O-] ZINC000414149068 362924959 /nfs/dbraw/zinc/92/49/59/362924959.db2.gz ULXHZKHLRIGNSC-GFCCVEGCSA-N 1 2 293.323 1.488 20 30 CDEDLO Cc1ccc(C#N)cc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414118872 362926085 /nfs/dbraw/zinc/92/60/85/362926085.db2.gz AADTUSNJBHTYIB-CQSZACIVSA-N 1 2 273.336 1.452 20 30 CDEDLO Cc1ccc(C#N)cc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414118872 362926087 /nfs/dbraw/zinc/92/60/87/362926087.db2.gz AADTUSNJBHTYIB-CQSZACIVSA-N 1 2 273.336 1.452 20 30 CDEDLO CC[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccoc1 ZINC000615224149 348397871 /nfs/dbraw/zinc/39/78/71/348397871.db2.gz RXJSDWUUZBLCBW-UHFFFAOYSA-N 1 2 261.325 1.664 20 30 CDEDLO CC[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccoc1 ZINC000615224149 348397873 /nfs/dbraw/zinc/39/78/73/348397873.db2.gz RXJSDWUUZBLCBW-UHFFFAOYSA-N 1 2 261.325 1.664 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)CSc1ccc([N+](=O)[O-])cn1 ZINC000414138996 362922249 /nfs/dbraw/zinc/92/22/49/362922249.db2.gz HCHRXEPCNDCQBI-NSHDSACASA-N 1 2 296.352 1.288 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1ccc([N+](=O)[O-])cn1 ZINC000414138996 362922253 /nfs/dbraw/zinc/92/22/53/362922253.db2.gz HCHRXEPCNDCQBI-NSHDSACASA-N 1 2 296.352 1.288 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccccc1OC ZINC000016563756 348528038 /nfs/dbraw/zinc/52/80/38/348528038.db2.gz SCDIOVLWWPJSAW-UHFFFAOYSA-N 1 2 291.351 1.139 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1ccccc1OC ZINC000016563756 348528039 /nfs/dbraw/zinc/52/80/39/348528039.db2.gz SCDIOVLWWPJSAW-UHFFFAOYSA-N 1 2 291.351 1.139 20 30 CDEDLO CC(C)N(CCC#N)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000615741904 348656256 /nfs/dbraw/zinc/65/62/56/348656256.db2.gz MWRGIYZOCTWXNU-LBPRGKRZSA-N 1 2 260.341 1.596 20 30 CDEDLO C[C@@H]1C[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 ZINC000028710147 348667698 /nfs/dbraw/zinc/66/76/98/348667698.db2.gz RTFLLRLDIRHPTR-IOASZLSFSA-N 1 2 299.374 1.773 20 30 CDEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000072692443 349129101 /nfs/dbraw/zinc/12/91/01/349129101.db2.gz ODAVZSWKUWBYOG-GASCZTMLSA-N 1 2 295.427 1.884 20 30 CDEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000072692443 349129103 /nfs/dbraw/zinc/12/91/03/349129103.db2.gz ODAVZSWKUWBYOG-GASCZTMLSA-N 1 2 295.427 1.884 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](O)C1CC1 ZINC000305734913 350083392 /nfs/dbraw/zinc/08/33/92/350083392.db2.gz LOVSKZRVWKLZKD-GJZGRUSLSA-N 1 2 288.347 1.475 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)C1CC1 ZINC000305734913 350083395 /nfs/dbraw/zinc/08/33/95/350083395.db2.gz LOVSKZRVWKLZKD-GJZGRUSLSA-N 1 2 288.347 1.475 20 30 CDEDLO Cc1cc(CN2CC[NH+](Cc3cccc(C#N)n3)CC2)no1 ZINC000602436261 350109269 /nfs/dbraw/zinc/10/92/69/350109269.db2.gz MJQCJVDKCMNSIC-UHFFFAOYSA-N 1 2 297.362 1.568 20 30 CDEDLO CC[N@H+](Cc1cccc(C#N)n1)[C@H](C)CS(C)(=O)=O ZINC000602468943 350111828 /nfs/dbraw/zinc/11/18/28/350111828.db2.gz OXVWYHSFTDVUIQ-LLVKDONJSA-N 1 2 281.381 1.208 20 30 CDEDLO CC[N@@H+](Cc1cccc(C#N)n1)[C@H](C)CS(C)(=O)=O ZINC000602468943 350111830 /nfs/dbraw/zinc/11/18/30/350111830.db2.gz OXVWYHSFTDVUIQ-LLVKDONJSA-N 1 2 281.381 1.208 20 30 CDEDLO Cc1[nH][nH]c(=NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)c1C#N ZINC000602187334 350084048 /nfs/dbraw/zinc/08/40/48/350084048.db2.gz FZBYZEVLCJQXKZ-GFCCVEGCSA-N 1 2 286.339 1.434 20 30 CDEDLO C[N@@H+](Cc1cccc(C#N)n1)C[C@H](O)C(F)(F)F ZINC000602662991 350139460 /nfs/dbraw/zinc/13/94/60/350139460.db2.gz QGXXMUPAFNXODB-JTQLQIEISA-N 1 2 259.231 1.308 20 30 CDEDLO C[N@H+](Cc1cccc(C#N)n1)C[C@H](O)C(F)(F)F ZINC000602662991 350139463 /nfs/dbraw/zinc/13/94/63/350139463.db2.gz QGXXMUPAFNXODB-JTQLQIEISA-N 1 2 259.231 1.308 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152208698 188002083 /nfs/dbraw/zinc/00/20/83/188002083.db2.gz VUUUHSXADVGDDO-LBPRGKRZSA-N 1 2 289.383 1.164 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152208698 188002085 /nfs/dbraw/zinc/00/20/85/188002085.db2.gz VUUUHSXADVGDDO-LBPRGKRZSA-N 1 2 289.383 1.164 20 30 CDEDLO CCNC(=O)NC(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000109812318 358474954 /nfs/dbraw/zinc/47/49/54/358474954.db2.gz KLZFGBYBJDEESJ-UHFFFAOYSA-N 1 2 268.361 1.094 20 30 CDEDLO CCNC(=O)NC(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000109812318 358474955 /nfs/dbraw/zinc/47/49/55/358474955.db2.gz KLZFGBYBJDEESJ-UHFFFAOYSA-N 1 2 268.361 1.094 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H]2CCCCNC2=O)c1 ZINC000153059930 188062739 /nfs/dbraw/zinc/06/27/39/188062739.db2.gz ZZFNOCZCPJXHPS-OAHLLOKOSA-N 1 2 299.374 1.207 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H]2CCCCNC2=O)c1 ZINC000153059930 188062740 /nfs/dbraw/zinc/06/27/40/188062740.db2.gz ZZFNOCZCPJXHPS-OAHLLOKOSA-N 1 2 299.374 1.207 20 30 CDEDLO N#Cc1cc(C(=O)NCc2[nH]cc[nH+]2)ccc1Cl ZINC000540882020 363209265 /nfs/dbraw/zinc/20/92/65/363209265.db2.gz AZVLRJPAFZITBN-UHFFFAOYSA-N 1 2 260.684 1.865 20 30 CDEDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000158631363 188385996 /nfs/dbraw/zinc/38/59/96/188385996.db2.gz MRJAKTMBTBAGCT-ZDUSSCGKSA-N 1 2 261.300 1.408 20 30 CDEDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000158631363 188385998 /nfs/dbraw/zinc/38/59/98/188385998.db2.gz MRJAKTMBTBAGCT-ZDUSSCGKSA-N 1 2 261.300 1.408 20 30 CDEDLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000336348513 356148848 /nfs/dbraw/zinc/14/88/48/356148848.db2.gz XKQZENLTERDBNF-BBATYDOGSA-N 1 2 265.382 1.240 20 30 CDEDLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000336348513 356148851 /nfs/dbraw/zinc/14/88/51/356148851.db2.gz XKQZENLTERDBNF-BBATYDOGSA-N 1 2 265.382 1.240 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000286351784 356260937 /nfs/dbraw/zinc/26/09/37/356260937.db2.gz ZYZGRLZVSSMEOF-UHFFFAOYSA-N 1 2 280.331 1.938 20 30 CDEDLO Cc1[nH]c[nH+]c1CC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000286351784 356260941 /nfs/dbraw/zinc/26/09/41/356260941.db2.gz ZYZGRLZVSSMEOF-UHFFFAOYSA-N 1 2 280.331 1.938 20 30 CDEDLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000233428320 356331622 /nfs/dbraw/zinc/33/16/22/356331622.db2.gz NIGIMRVJHAKEFB-UHFFFAOYSA-N 1 2 289.379 1.867 20 30 CDEDLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000233428320 356331626 /nfs/dbraw/zinc/33/16/26/356331626.db2.gz NIGIMRVJHAKEFB-UHFFFAOYSA-N 1 2 289.379 1.867 20 30 CDEDLO C=C(C)CN(CC)c1cc(NC[C@H](C)O)[nH+]cn1 ZINC000298391412 356853199 /nfs/dbraw/zinc/85/31/99/356853199.db2.gz VHXOPVCRRTTXBP-NSHDSACASA-N 1 2 250.346 1.672 20 30 CDEDLO C=C(C)CN(CC)c1cc(NC[C@H](C)O)nc[nH+]1 ZINC000298391412 356853201 /nfs/dbraw/zinc/85/32/01/356853201.db2.gz VHXOPVCRRTTXBP-NSHDSACASA-N 1 2 250.346 1.672 20 30 CDEDLO C#C[C@H](NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)C(C)(C)C ZINC000299202076 356984850 /nfs/dbraw/zinc/98/48/50/356984850.db2.gz FWJWEQKPKCDPKN-LBPRGKRZSA-N 1 2 298.346 1.437 20 30 CDEDLO C[C@@H]1C[N@@H+](CCOc2ccccc2C#N)C[C@H](C)[S@@]1=O ZINC000331187328 357168997 /nfs/dbraw/zinc/16/89/97/357168997.db2.gz VDDDYRRHWZCVOL-NXCRSVRDSA-N 1 2 292.404 1.778 20 30 CDEDLO C[C@@H]1C[N@H+](CCOc2ccccc2C#N)C[C@H](C)[S@@]1=O ZINC000331187328 357168999 /nfs/dbraw/zinc/16/89/99/357168999.db2.gz VDDDYRRHWZCVOL-NXCRSVRDSA-N 1 2 292.404 1.778 20 30 CDEDLO N#Cc1ccc([N+](=O)[O-])c(SCC[NH+]2CCOCC2)c1 ZINC000274347914 357444238 /nfs/dbraw/zinc/44/42/38/357444238.db2.gz RIGPJPHMWDBANC-UHFFFAOYSA-N 1 2 293.348 1.891 20 30 CDEDLO CC[C@H](O)C[NH+]1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000175881417 357515668 /nfs/dbraw/zinc/51/56/68/357515668.db2.gz ZVHSTJREDKHNRX-LBPRGKRZSA-N 1 2 293.392 1.148 20 30 CDEDLO Cc1nsc(N(C)CC[NH+]2CCOCC2)c1C#N ZINC000283718243 357596136 /nfs/dbraw/zinc/59/61/36/357596136.db2.gz FWEBYWKLFYFWCV-UHFFFAOYSA-N 1 2 266.370 1.092 20 30 CDEDLO C[C@H]1C[N@H+](CCSc2cc(C#N)ccn2)CCO1 ZINC000188298064 357875386 /nfs/dbraw/zinc/87/53/86/357875386.db2.gz ZWKVSRGXIQHCIR-NSHDSACASA-N 1 2 263.366 1.766 20 30 CDEDLO C[C@H]1C[N@@H+](CCSc2cc(C#N)ccn2)CCO1 ZINC000188298064 357875391 /nfs/dbraw/zinc/87/53/91/357875391.db2.gz ZWKVSRGXIQHCIR-NSHDSACASA-N 1 2 263.366 1.766 20 30 CDEDLO CC(=O)N[C@@H]1CC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000335423747 357913801 /nfs/dbraw/zinc/91/38/01/357913801.db2.gz TVRNZWHRQCBNCA-CQSZACIVSA-N 1 2 282.347 1.521 20 30 CDEDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000335423747 357913806 /nfs/dbraw/zinc/91/38/06/357913806.db2.gz TVRNZWHRQCBNCA-CQSZACIVSA-N 1 2 282.347 1.521 20 30 CDEDLO Cc1nsc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c1C#N ZINC000286981098 358062450 /nfs/dbraw/zinc/06/24/50/358062450.db2.gz OAQQWGUNXGNUOR-LBPRGKRZSA-N 1 2 292.408 1.624 20 30 CDEDLO CN1CC[C@H]([NH+]2CCN([C@H](C#N)c3ccccc3)CC2)C1=O ZINC000080904759 358108194 /nfs/dbraw/zinc/10/81/94/358108194.db2.gz IXRBYPCWNTVDKM-JKSUJKDBSA-N 1 2 298.390 1.100 20 30 CDEDLO Cc1cc(N(C)C[C@H](C)c2nn[nH]n2)c(C#N)c[nH+]1 ZINC000566616443 358188726 /nfs/dbraw/zinc/18/87/26/358188726.db2.gz SFMBRNXWGHEVKK-QMMMGPOBSA-N 1 2 257.301 1.015 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)COc1ccccc1C#N ZINC000401757577 358588317 /nfs/dbraw/zinc/58/83/17/358588317.db2.gz SHWQJACLMVECRQ-UHFFFAOYSA-N 1 2 284.319 1.029 20 30 CDEDLO COC(=O)c1cc(C[N@@H+]2CC[C@](O)(CC#N)C2)cs1 ZINC000592152982 358588405 /nfs/dbraw/zinc/58/84/05/358588405.db2.gz HEOLEEFKIVNNJR-CYBMUJFWSA-N 1 2 280.349 1.385 20 30 CDEDLO COC(=O)c1cc(C[N@H+]2CC[C@](O)(CC#N)C2)cs1 ZINC000592152982 358588408 /nfs/dbraw/zinc/58/84/08/358588408.db2.gz HEOLEEFKIVNNJR-CYBMUJFWSA-N 1 2 280.349 1.385 20 30 CDEDLO O=C1OCC[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)CCN12 ZINC000494085768 366501588 /nfs/dbraw/zinc/50/15/88/366501588.db2.gz LZUQPGXHYBSHBA-HNNXBMFYSA-N 1 2 288.322 1.704 20 30 CDEDLO O=C1OCC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)CCN12 ZINC000494085768 366501593 /nfs/dbraw/zinc/50/15/93/366501593.db2.gz LZUQPGXHYBSHBA-HNNXBMFYSA-N 1 2 288.322 1.704 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1ccccc1C(=O)OCC ZINC000494674956 366509110 /nfs/dbraw/zinc/50/91/10/366509110.db2.gz YJJDEQQTYDULHY-UHFFFAOYSA-N 1 2 276.336 1.920 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1ccccc1C(=O)OCC ZINC000494674956 366509117 /nfs/dbraw/zinc/50/91/17/366509117.db2.gz YJJDEQQTYDULHY-UHFFFAOYSA-N 1 2 276.336 1.920 20 30 CDEDLO C#CCCCCNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000268238720 359359546 /nfs/dbraw/zinc/35/95/46/359359546.db2.gz LRFBAERKIPTQKC-UHFFFAOYSA-N 1 2 273.336 1.557 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2oc(C)nc2C)CC1 ZINC000266798132 359344039 /nfs/dbraw/zinc/34/40/39/359344039.db2.gz DUVIKWWTUDTDPB-UHFFFAOYSA-N 1 2 261.325 1.073 20 30 CDEDLO C#CC[NH+]1CCN(c2ccc(C(F)(F)F)nn2)CC1 ZINC000270983256 359418228 /nfs/dbraw/zinc/41/82/28/359418228.db2.gz VUVCFUPVFZHJGT-UHFFFAOYSA-N 1 2 270.258 1.251 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](C)C[C@@H]1C(=O)OC ZINC000275010359 359528193 /nfs/dbraw/zinc/52/81/93/359528193.db2.gz RIFKVGHKHCNSAB-ZIAGYGMSSA-N 1 2 294.395 1.461 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](C)C[C@@H]1C(=O)OC ZINC000275010359 359528199 /nfs/dbraw/zinc/52/81/99/359528199.db2.gz RIFKVGHKHCNSAB-ZIAGYGMSSA-N 1 2 294.395 1.461 20 30 CDEDLO C=CCN(c1cc(N2CCCC[C@@H]2CO)[nH+]cn1)C1CC1 ZINC000278832773 359583147 /nfs/dbraw/zinc/58/31/47/359583147.db2.gz VEROYUSXLJVJKY-CQSZACIVSA-N 1 2 288.395 1.983 20 30 CDEDLO C=CCN(c1cc(N2CCCC[C@@H]2CO)nc[nH+]1)C1CC1 ZINC000278832773 359583150 /nfs/dbraw/zinc/58/31/50/359583150.db2.gz VEROYUSXLJVJKY-CQSZACIVSA-N 1 2 288.395 1.983 20 30 CDEDLO CCN1CC[N@H+](Cc2cc(C#N)n(C)c2)C(C)(C)C1=O ZINC000191534697 359635713 /nfs/dbraw/zinc/63/57/13/359635713.db2.gz LCVXPAKEGJEPFO-UHFFFAOYSA-N 1 2 274.368 1.339 20 30 CDEDLO CCN1CC[N@@H+](Cc2cc(C#N)n(C)c2)C(C)(C)C1=O ZINC000191534697 359635715 /nfs/dbraw/zinc/63/57/15/359635715.db2.gz LCVXPAKEGJEPFO-UHFFFAOYSA-N 1 2 274.368 1.339 20 30 CDEDLO Cc1noc([C@H](C)[NH2+][C@H](C)C(=O)N[C@](C)(C#N)C(C)C)n1 ZINC000348093344 359827796 /nfs/dbraw/zinc/82/77/96/359827796.db2.gz SODIEQQCBNWZAO-ISTVAULSSA-N 1 2 293.371 1.472 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCc2ccc(C(N)=O)cc2)cc1 ZINC000054230589 359972409 /nfs/dbraw/zinc/97/24/09/359972409.db2.gz MOMCEIGVNZNQSF-UHFFFAOYSA-N 1 2 299.330 1.631 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(OC)ccn2)C1=O ZINC000337235385 360049797 /nfs/dbraw/zinc/04/97/97/360049797.db2.gz XOTHTZUODHOLHT-CQSZACIVSA-N 1 2 275.352 1.309 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(OC)ccn2)C1=O ZINC000337235385 360049802 /nfs/dbraw/zinc/04/98/02/360049802.db2.gz XOTHTZUODHOLHT-CQSZACIVSA-N 1 2 275.352 1.309 20 30 CDEDLO C=CCN1CC[C@@H](N(C)Cc2cc(OC)cc[nH+]2)C1=O ZINC000337235385 360049807 /nfs/dbraw/zinc/04/98/07/360049807.db2.gz XOTHTZUODHOLHT-CQSZACIVSA-N 1 2 275.352 1.309 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000063086424 360068371 /nfs/dbraw/zinc/06/83/71/360068371.db2.gz HXMYYNYZKJOEJQ-JSGCOSHPSA-N 1 2 273.336 1.532 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000063086424 360068375 /nfs/dbraw/zinc/06/83/75/360068375.db2.gz HXMYYNYZKJOEJQ-JSGCOSHPSA-N 1 2 273.336 1.532 20 30 CDEDLO COC(=O)[C@@H]([NH2+]CC1CCOCC1)c1cccc(C#N)c1 ZINC000176746039 189006891 /nfs/dbraw/zinc/00/68/91/189006891.db2.gz QPOULGRAHKGBJA-HNNXBMFYSA-N 1 2 288.347 1.789 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000424633499 360322351 /nfs/dbraw/zinc/32/23/51/360322351.db2.gz DAVGEJMLABXEAZ-UHFFFAOYSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000424633499 360322353 /nfs/dbraw/zinc/32/23/53/360322353.db2.gz DAVGEJMLABXEAZ-UHFFFAOYSA-N 1 2 268.401 1.816 20 30 CDEDLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000127810288 360678039 /nfs/dbraw/zinc/67/80/39/360678039.db2.gz OLQURYIJRZLZKS-CQSZACIVSA-N 1 2 299.378 1.730 20 30 CDEDLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000127810288 360678044 /nfs/dbraw/zinc/67/80/44/360678044.db2.gz OLQURYIJRZLZKS-CQSZACIVSA-N 1 2 299.378 1.730 20 30 CDEDLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000128038072 360693533 /nfs/dbraw/zinc/69/35/33/360693533.db2.gz URVCXJHRBNMLSN-AWEZNQCLSA-N 1 2 299.378 1.730 20 30 CDEDLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000128038072 360693539 /nfs/dbraw/zinc/69/35/39/360693539.db2.gz 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ZINC000527376972 361344484 /nfs/dbraw/zinc/34/44/84/361344484.db2.gz SRMLLYSTXVHKBN-SNVBAGLBSA-N 1 2 278.381 1.665 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000496407622 366809957 /nfs/dbraw/zinc/80/99/57/366809957.db2.gz VIOSYEMHUJLKLH-QWHCGFSZSA-N 1 2 278.356 1.593 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000496407622 366809963 /nfs/dbraw/zinc/80/99/63/366809963.db2.gz VIOSYEMHUJLKLH-QWHCGFSZSA-N 1 2 278.356 1.593 20 30 CDEDLO O=C(C[N@@H+]1CCO[C@@]2(CCCOC2)C1)NCC1CC1 ZINC000329067496 361441726 /nfs/dbraw/zinc/44/17/26/361441726.db2.gz LYFYZDUHEBFHKI-AWEZNQCLSA-N 1 2 268.357 1.234 20 30 CDEDLO O=C(C[N@H+]1CCO[C@@]2(CCCOC2)C1)NCC1CC1 ZINC000329067496 361441732 /nfs/dbraw/zinc/44/17/32/361441732.db2.gz LYFYZDUHEBFHKI-AWEZNQCLSA-N 1 2 268.357 1.234 20 30 CDEDLO C[C@H]1C[C@@]1(C#N)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000448562217 361416991 /nfs/dbraw/zinc/41/69/91/361416991.db2.gz BSXFEJHKOWXQAQ-WFASDCNBSA-N 1 2 270.336 1.280 20 30 CDEDLO O=C(NC[C@H]1CCCOC1)N1CCn2cc[nH+]c2C1 ZINC000329414555 361503476 /nfs/dbraw/zinc/50/34/76/361503476.db2.gz FSCLAXQVSLJAID-LLVKDONJSA-N 1 2 264.329 1.039 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2CO)CCC1 ZINC000526135773 363821503 /nfs/dbraw/zinc/82/15/03/363821503.db2.gz OYPSASQYQLMKMF-HNNXBMFYSA-N 1 2 299.374 1.141 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCc3ccccc3[C@@H]2CO)CCC1 ZINC000526135773 363821505 /nfs/dbraw/zinc/82/15/05/363821505.db2.gz OYPSASQYQLMKMF-HNNXBMFYSA-N 1 2 299.374 1.141 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@H]2C[C@@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000374635736 370738001 /nfs/dbraw/zinc/73/80/01/370738001.db2.gz JCJZDDPDWUDQHY-RHYQMDGZSA-N 1 2 273.760 1.922 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@H]2C[C@@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000374635736 370738011 /nfs/dbraw/zinc/73/80/11/370738011.db2.gz JCJZDDPDWUDQHY-RHYQMDGZSA-N 1 2 273.760 1.922 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](O)C1 ZINC000042259835 364552965 /nfs/dbraw/zinc/55/29/65/364552965.db2.gz 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/nfs/dbraw/zinc/80/48/16/370804816.db2.gz UWJWDXJJRMJMOP-JTQLQIEISA-N 1 2 251.330 1.742 20 30 CDEDLO CC[C@H](NC(=O)Cc1noc(C)c1C#N)c1[nH]cc[nH+]1 ZINC000442811217 366929098 /nfs/dbraw/zinc/92/90/98/366929098.db2.gz ODGWHXGZTQERKG-JTQLQIEISA-N 1 2 273.296 1.388 20 30 CDEDLO CC[N@H+](CCC#N)Cc1ccc2c(c1)oc(=O)n2C ZINC000507121829 367009620 /nfs/dbraw/zinc/00/96/20/367009620.db2.gz QFTNIJVSVVLRGW-UHFFFAOYSA-N 1 2 259.309 1.867 20 30 CDEDLO CC[N@@H+](CCC#N)Cc1ccc2c(c1)oc(=O)n2C ZINC000507121829 367009625 /nfs/dbraw/zinc/00/96/25/367009625.db2.gz QFTNIJVSVVLRGW-UHFFFAOYSA-N 1 2 259.309 1.867 20 30 CDEDLO C[C@H]1C[N@H+](CC2(C#N)CC2)C[C@@]2(CCCOC2)O1 ZINC000361618605 368942107 /nfs/dbraw/zinc/94/21/07/368942107.db2.gz JYZDLPLGJGRHSL-GXTWGEPZSA-N 1 2 250.342 1.560 20 30 CDEDLO C[C@H]1C[N@@H+](CC2(C#N)CC2)C[C@@]2(CCCOC2)O1 ZINC000361618605 368942111 /nfs/dbraw/zinc/94/21/11/368942111.db2.gz JYZDLPLGJGRHSL-GXTWGEPZSA-N 1 2 250.342 1.560 20 30 CDEDLO C=CCN(C(=O)C(=O)Nc1ccc(C)[nH+]c1C)C1CC1 ZINC000276102635 193214518 /nfs/dbraw/zinc/21/45/18/193214518.db2.gz NSQMSXMEZNTOTP-UHFFFAOYSA-N 1 2 273.336 1.814 20 30 CDEDLO C#CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000075557411 369423449 /nfs/dbraw/zinc/42/34/49/369423449.db2.gz VLCFWZRROHRTFL-CYBMUJFWSA-N 1 2 286.310 1.581 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N(C)Cc1cccs1 ZINC000490675964 261182327 /nfs/dbraw/zinc/18/23/27/261182327.db2.gz GFXXUNKZRKSVJZ-UHFFFAOYSA-N 1 2 274.389 1.665 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N(C)Cc1cccs1 ZINC000490675964 261182329 /nfs/dbraw/zinc/18/23/29/261182329.db2.gz GFXXUNKZRKSVJZ-UHFFFAOYSA-N 1 2 274.389 1.665 20 30 CDEDLO C=CC[C@H](C)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000116933143 369549677 /nfs/dbraw/zinc/54/96/77/369549677.db2.gz SGMMHTRTVSYWBI-LBPRGKRZSA-N 1 2 269.389 1.361 20 30 CDEDLO CCNC(=O)NC(=O)[C@@H](C)[N@H+](CCC#N)CCC(C)C ZINC000157151475 371148356 /nfs/dbraw/zinc/14/83/56/371148356.db2.gz MCIAMSMPWNHLBY-GFCCVEGCSA-N 1 2 282.388 1.482 20 30 CDEDLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CCC#N)CCC(C)C ZINC000157151475 371148361 /nfs/dbraw/zinc/14/83/61/371148361.db2.gz MCIAMSMPWNHLBY-GFCCVEGCSA-N 1 2 282.388 1.482 20 30 CDEDLO CO[C@@H]1C[C@@H](c2nncn2C)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000331764304 204136545 /nfs/dbraw/zinc/13/65/45/204136545.db2.gz ARVWQWYSBLIRIJ-CABCVRRESA-N 1 2 297.362 1.649 20 30 CDEDLO CO[C@@H]1C[C@@H](c2nncn2C)[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000331764304 204136549 /nfs/dbraw/zinc/13/65/49/204136549.db2.gz ARVWQWYSBLIRIJ-CABCVRRESA-N 1 2 297.362 1.649 20 30 CDEDLO COc1ccc(F)cc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000573420193 371535864 /nfs/dbraw/zinc/53/58/64/371535864.db2.gz DBZRAJITCZTAJL-CQSZACIVSA-N 1 2 279.315 1.408 20 30 CDEDLO COC(=O)[C@H]1CCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000170915586 372042893 /nfs/dbraw/zinc/04/28/93/372042893.db2.gz IYDCLGBONTWVGE-CQSZACIVSA-N 1 2 274.320 1.574 20 30 CDEDLO COC(=O)[C@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000170915586 372042901 /nfs/dbraw/zinc/04/29/01/372042901.db2.gz 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/nfs/dbraw/zinc/55/48/55/372554855.db2.gz MULFKNLGSBXSNE-VXGBXAGGSA-N 1 2 273.398 1.294 20 30 CDEDLO Cc1ccn2cc(CNC(=O)c3cnn(C)c3C#N)[nH+]c2c1 ZINC000355042715 373819734 /nfs/dbraw/zinc/81/97/34/373819734.db2.gz QYUMLZIUPKXTEG-UHFFFAOYSA-N 1 2 294.318 1.178 20 30 CDEDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000296736405 373822307 /nfs/dbraw/zinc/82/23/07/373822307.db2.gz OFCNJYMSIAATKL-ZDUSSCGKSA-N 1 2 291.326 1.970 20 30 CDEDLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000296736405 373822317 /nfs/dbraw/zinc/82/23/17/373822317.db2.gz OFCNJYMSIAATKL-ZDUSSCGKSA-N 1 2 291.326 1.970 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3nccc(C)c3C#N)CC2)on1 ZINC000273354066 373785578 /nfs/dbraw/zinc/78/55/78/373785578.db2.gz PQPHNDYIPDKBEV-UHFFFAOYSA-N 1 2 297.362 1.880 20 30 CDEDLO C[C@@H]1C[C@H](CO)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000356332399 373841654 /nfs/dbraw/zinc/84/16/54/373841654.db2.gz GGMOLIARPSYNFT-NXEZZACHSA-N 1 2 251.355 1.608 20 30 CDEDLO C[C@@H]1C[C@H](CO)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000356332399 373841661 /nfs/dbraw/zinc/84/16/61/373841661.db2.gz GGMOLIARPSYNFT-NXEZZACHSA-N 1 2 251.355 1.608 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000342278655 374078133 /nfs/dbraw/zinc/07/81/33/374078133.db2.gz FDUZLMYBHYXFEW-KCQAQPDRSA-N 1 2 279.384 1.248 20 30 CDEDLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361832241 374054579 /nfs/dbraw/zinc/05/45/79/374054579.db2.gz ZSUODPNCMBDHAD-ZWNOBZJWSA-N 1 2 264.300 1.279 20 30 CDEDLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361832241 374054589 /nfs/dbraw/zinc/05/45/89/374054589.db2.gz ZSUODPNCMBDHAD-ZWNOBZJWSA-N 1 2 264.300 1.279 20 30 CDEDLO CN1CCO[C@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC000352118669 374297893 /nfs/dbraw/zinc/29/78/93/374297893.db2.gz CFYLUPWLUXVXLT-CABCVRRESA-N 1 2 275.327 1.212 20 30 CDEDLO CN1CCO[C@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC000352118669 374297897 /nfs/dbraw/zinc/29/78/97/374297897.db2.gz CFYLUPWLUXVXLT-CABCVRRESA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3cc(C#N)ccc3F)C[C@H]21 ZINC000352118669 374297900 /nfs/dbraw/zinc/29/79/00/374297900.db2.gz CFYLUPWLUXVXLT-CABCVRRESA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3cc(C#N)ccc3F)C[C@H]21 ZINC000352118669 374297905 /nfs/dbraw/zinc/29/79/05/374297905.db2.gz CFYLUPWLUXVXLT-CABCVRRESA-N 1 2 275.327 1.212 20 30 CDEDLO CC[C@](C)([NH2+]C[C@H](O)c1ccc(C#N)cc1)C(=O)OC ZINC000293339445 374356589 /nfs/dbraw/zinc/35/65/89/374356589.db2.gz XESHBTHRPNXFJA-ZFWWWQNUSA-N 1 2 276.336 1.523 20 30 CDEDLO COC(=O)C1(C)C[NH+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000425377045 374436739 /nfs/dbraw/zinc/43/67/39/374436739.db2.gz ZEAJGRCJWUTHML-UHFFFAOYSA-N 1 2 274.320 1.562 20 30 CDEDLO CC(C)[NH+]1CC(NC(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000293644545 374497946 /nfs/dbraw/zinc/49/79/46/374497946.db2.gz GNESXHMSXSGRED-UHFFFAOYSA-N 1 2 279.290 1.659 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)CSCC#N ZINC000032713985 374530340 /nfs/dbraw/zinc/53/03/40/374530340.db2.gz BTHWPWOHUIMIEE-UHFFFAOYSA-N 1 2 288.376 1.718 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000069866323 374621379 /nfs/dbraw/zinc/62/13/79/374621379.db2.gz KJHLLDJLEZMDIR-NSHDSACASA-N 1 2 266.366 1.423 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000069866323 374621381 /nfs/dbraw/zinc/62/13/81/374621381.db2.gz KJHLLDJLEZMDIR-NSHDSACASA-N 1 2 266.366 1.423 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000069867539 374624076 /nfs/dbraw/zinc/62/40/76/374624076.db2.gz DCKFXHKLOZQHBF-LBPRGKRZSA-N 1 2 296.392 1.302 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000069867539 374624087 /nfs/dbraw/zinc/62/40/87/374624087.db2.gz DCKFXHKLOZQHBF-LBPRGKRZSA-N 1 2 296.392 1.302 20 30 CDEDLO N#CC1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000334354048 375008359 /nfs/dbraw/zinc/00/83/59/375008359.db2.gz YXDBZZJGCBDYRX-UHFFFAOYSA-N 1 2 268.320 1.639 20 30 CDEDLO CCC[N@H+](Cc1ccccc1C#N)[C@H]1CC(=O)N(C)C1=O ZINC000282561638 375092889 /nfs/dbraw/zinc/09/28/89/375092889.db2.gz UGQHNWVHHCPRQL-AWEZNQCLSA-N 1 2 285.347 1.528 20 30 CDEDLO CCC[N@@H+](Cc1ccccc1C#N)[C@H]1CC(=O)N(C)C1=O ZINC000282561638 375092894 /nfs/dbraw/zinc/09/28/94/375092894.db2.gz UGQHNWVHHCPRQL-AWEZNQCLSA-N 1 2 285.347 1.528 20 30 CDEDLO CN(Cc1ccc(C#N)cc1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493358379 375447495 /nfs/dbraw/zinc/44/74/95/375447495.db2.gz UACMHNIALFBIET-SREVYHEPSA-N 1 2 266.304 1.953 20 30 CDEDLO C[C@@H]1CCC[C@@H]1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000328672196 375917321 /nfs/dbraw/zinc/91/73/21/375917321.db2.gz OARDJQOWCQTVGD-OLZOCXBDSA-N 1 2 281.400 1.543 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CC2(C)C)C1 ZINC000328750758 375944633 /nfs/dbraw/zinc/94/46/33/375944633.db2.gz CBCBNANUVCPJFC-MNOVXSKESA-N 1 2 262.357 1.922 20 30 CDEDLO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)NC[C@@H]1CCCO1 ZINC000328839649 375980162 /nfs/dbraw/zinc/98/01/62/375980162.db2.gz UHVLSXSCUSZBIJ-QJPTWQEYSA-N 1 2 281.356 1.173 20 30 CDEDLO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)NC[C@@H]1CCCO1 ZINC000328839649 375980171 /nfs/dbraw/zinc/98/01/71/375980171.db2.gz UHVLSXSCUSZBIJ-QJPTWQEYSA-N 1 2 281.356 1.173 20 30 CDEDLO N#Cc1cccc(C2(C(=O)NCC[NH+]3CCOCC3)CC2)c1 ZINC000435040587 248150765 /nfs/dbraw/zinc/15/07/65/248150765.db2.gz FGDLAAXSCHIKKF-UHFFFAOYSA-N 1 2 299.374 1.038 20 30 CDEDLO CCOC(=O)C1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000072589980 376797312 /nfs/dbraw/zinc/79/73/12/376797312.db2.gz JRMINZOPXAPZOA-GFCCVEGCSA-N 1 2 263.341 1.705 20 30 CDEDLO N#Cc1ccc(Cl)c(C(=O)Nc2cc[nH+]cc2O)c1 ZINC000354519650 376797498 /nfs/dbraw/zinc/79/74/98/376797498.db2.gz CKPKQOYBYDOPLB-UHFFFAOYSA-N 1 2 273.679 1.986 20 30 CDEDLO CCc1nnc(C[NH2+]Cc2ccc(OC)c(C#N)c2)[nH]1 ZINC000296046049 376811576 /nfs/dbraw/zinc/81/15/76/376811576.db2.gz OHUUFLXAESCPFO-UHFFFAOYSA-N 1 2 271.324 1.537 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](C)C[C@H]2C(=O)OC)C1=O ZINC000281332867 377999701 /nfs/dbraw/zinc/99/97/01/377999701.db2.gz LYDHYIZGARZNRP-AVGNSLFASA-N 1 2 280.368 1.047 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](C)C[C@H]2C(=O)OC)C1=O ZINC000281332867 377999707 /nfs/dbraw/zinc/99/97/07/377999707.db2.gz LYDHYIZGARZNRP-AVGNSLFASA-N 1 2 280.368 1.047 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+](CCOC)[C@@H](C)C(N)=O ZINC000093138807 378046389 /nfs/dbraw/zinc/04/63/89/378046389.db2.gz VJOFBKLRQLPBTH-ZDUSSCGKSA-N 1 2 290.363 1.021 20 30 CDEDLO C#CCOc1ccccc1C[N@H+](CCOC)[C@@H](C)C(N)=O ZINC000093138807 378046393 /nfs/dbraw/zinc/04/63/93/378046393.db2.gz VJOFBKLRQLPBTH-ZDUSSCGKSA-N 1 2 290.363 1.021 20 30 CDEDLO C#CCOc1ccccc1C[N@H+](CC)CCS(C)(=O)=O ZINC000093816143 378112916 /nfs/dbraw/zinc/11/29/16/378112916.db2.gz UUOVRKLRACIOOS-UHFFFAOYSA-N 1 2 295.404 1.565 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+](CC)CCS(C)(=O)=O ZINC000093816143 378112921 /nfs/dbraw/zinc/11/29/21/378112921.db2.gz UUOVRKLRACIOOS-UHFFFAOYSA-N 1 2 295.404 1.565 20 30 CDEDLO COc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(C)c1 ZINC000574694170 335040442 /nfs/dbraw/zinc/04/04/42/335040442.db2.gz JNXGOFZJBIAHSS-OAHLLOKOSA-N 1 2 275.352 1.577 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3)n2C)CC1 ZINC000283899426 378130142 /nfs/dbraw/zinc/13/01/42/378130142.db2.gz UPTVRPWFRHJZNG-UHFFFAOYSA-N 1 2 281.363 1.237 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000192223711 378179045 /nfs/dbraw/zinc/17/90/45/378179045.db2.gz SIWRKSBKFVXHLV-UHFFFAOYSA-N 1 2 271.364 1.790 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000192223711 378179050 /nfs/dbraw/zinc/17/90/50/378179050.db2.gz SIWRKSBKFVXHLV-UHFFFAOYSA-N 1 2 271.364 1.790 20 30 CDEDLO Cn1cc[nH+]c1CN1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000563859971 378358962 /nfs/dbraw/zinc/35/89/62/378358962.db2.gz POXXGZBWYJLMEG-HIFRSBDPSA-N 1 2 274.368 1.847 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000292107780 378488950 /nfs/dbraw/zinc/48/89/50/378488950.db2.gz GQYHRTOOTOFMNW-CYBMUJFWSA-N 1 2 291.370 1.638 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000292107780 378488955 /nfs/dbraw/zinc/48/89/55/378488955.db2.gz GQYHRTOOTOFMNW-CYBMUJFWSA-N 1 2 291.370 1.638 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCCOc1cccc(F)c1 ZINC000293040528 378546861 /nfs/dbraw/zinc/54/68/61/378546861.db2.gz GYDOUCHKZZHRBR-UHFFFAOYSA-N 1 2 278.327 1.276 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCCOc1cccc(F)c1 ZINC000293040528 378546865 /nfs/dbraw/zinc/54/68/65/378546865.db2.gz GYDOUCHKZZHRBR-UHFFFAOYSA-N 1 2 278.327 1.276 20 30 CDEDLO C#CCNC(=O)CC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000292980035 378530340 /nfs/dbraw/zinc/53/03/40/378530340.db2.gz FFTLCHJKNYHXEU-HNNXBMFYSA-N 1 2 290.338 1.339 20 30 CDEDLO C#CCNC(=O)CC[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000292980035 378530349 /nfs/dbraw/zinc/53/03/49/378530349.db2.gz FFTLCHJKNYHXEU-HNNXBMFYSA-N 1 2 290.338 1.339 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(OC)c(OC)c1 ZINC000292989659 378532872 /nfs/dbraw/zinc/53/28/72/378532872.db2.gz BYESUWGKHWWEQV-UHFFFAOYSA-N 1 2 276.336 1.597 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(OC)c(OC)c1 ZINC000292989659 378532877 /nfs/dbraw/zinc/53/28/77/378532877.db2.gz BYESUWGKHWWEQV-UHFFFAOYSA-N 1 2 276.336 1.597 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000175140066 379643455 /nfs/dbraw/zinc/64/34/55/379643455.db2.gz VTHQXXVRRZMXFV-UHFFFAOYSA-N 1 2 295.346 1.239 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(C)n[nH]1 ZINC001663146092 1172642673 /nfs/dbraw/zinc/64/26/73/1172642673.db2.gz DHAFEYGMKYPEJD-UHFFFAOYSA-N 1 2 256.737 1.132 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(C)n[nH]1 ZINC001663146092 1172642675 /nfs/dbraw/zinc/64/26/75/1172642675.db2.gz DHAFEYGMKYPEJD-UHFFFAOYSA-N 1 2 256.737 1.132 20 30 CDEDLO Cn1cc(CNc2[nH]c(C(F)(F)F)c[nH+]2)cc1C#N ZINC000357710568 412997046 /nfs/dbraw/zinc/99/70/46/412997046.db2.gz WYBBATYONKHTGE-UHFFFAOYSA-N 1 2 269.230 1.673 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](CCOC)Cc2cccnc2)C1=O ZINC000281211080 195151675 /nfs/dbraw/zinc/15/16/75/195151675.db2.gz DFAQSOSARAZDAG-OAHLLOKOSA-N 1 2 289.379 1.317 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](CCOC)Cc2cccnc2)C1=O ZINC000281211080 195151677 /nfs/dbraw/zinc/15/16/77/195151677.db2.gz DFAQSOSARAZDAG-OAHLLOKOSA-N 1 2 289.379 1.317 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H]2CCN(CC=C)C2=O)n1 ZINC000281261114 195171464 /nfs/dbraw/zinc/17/14/64/195171464.db2.gz HKWFJTWLFJNQTG-OAHLLOKOSA-N 1 2 286.379 1.125 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)[C@@H]2CCN(CC=C)C2=O)n1 ZINC000281261114 195171466 /nfs/dbraw/zinc/17/14/66/195171466.db2.gz HKWFJTWLFJNQTG-OAHLLOKOSA-N 1 2 286.379 1.125 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)c2cnccn2)C1=O ZINC000281462389 195249883 /nfs/dbraw/zinc/24/98/83/195249883.db2.gz VICVBMJIMXCPRO-WCQYABFASA-N 1 2 260.341 1.256 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)c2cnccn2)C1=O ZINC000281462389 195249886 /nfs/dbraw/zinc/24/98/86/195249886.db2.gz VICVBMJIMXCPRO-WCQYABFASA-N 1 2 260.341 1.256 20 30 CDEDLO CC(C)CCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000521322837 260043940 /nfs/dbraw/zinc/04/39/40/260043940.db2.gz MVFXWFUVAOHAKT-UHFFFAOYSA-N 1 2 289.379 1.598 20 30 CDEDLO CC(C)(C#N)CC[N@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000119645335 390550318 /nfs/dbraw/zinc/55/03/18/390550318.db2.gz YQPZIZOSHHXRQH-LBPRGKRZSA-N 1 2 270.398 1.578 20 30 CDEDLO CC(C)(C#N)CC[N@@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000119645335 390550323 /nfs/dbraw/zinc/55/03/23/390550323.db2.gz YQPZIZOSHHXRQH-LBPRGKRZSA-N 1 2 270.398 1.578 20 30 CDEDLO NC(CCO)=[NH+]OCc1nc(-c2ccc(F)c(F)c2)no1 ZINC000121330068 390883992 /nfs/dbraw/zinc/88/39/92/390883992.db2.gz LQEVLWGUGOOQLV-UHFFFAOYSA-N 1 2 298.249 1.186 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000151209342 390918143 /nfs/dbraw/zinc/91/81/43/390918143.db2.gz RZSJPRYXKBPYKH-OLZOCXBDSA-N 1 2 297.362 1.056 20 30 CDEDLO CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccccn1 ZINC000125373240 390918184 /nfs/dbraw/zinc/91/81/84/390918184.db2.gz BPIINSWKPGYUKI-MRXNPFEDSA-N 1 2 288.395 1.958 20 30 CDEDLO CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccccn1 ZINC000125373240 390918186 /nfs/dbraw/zinc/91/81/86/390918186.db2.gz BPIINSWKPGYUKI-MRXNPFEDSA-N 1 2 288.395 1.958 20 30 CDEDLO C=CCn1cc(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)nn1 ZINC000648411096 390994904 /nfs/dbraw/zinc/99/49/04/390994904.db2.gz WANFTYDJDAJGBS-NXEZZACHSA-N 1 2 272.312 1.096 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000351105367 391038376 /nfs/dbraw/zinc/03/83/76/391038376.db2.gz VTQLJTCCQKLFOW-CQSZACIVSA-N 1 2 266.385 1.544 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000351105367 391038380 /nfs/dbraw/zinc/03/83/80/391038380.db2.gz VTQLJTCCQKLFOW-CQSZACIVSA-N 1 2 266.385 1.544 20 30 CDEDLO C[C@H](O)C[C@@H]1CCCN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329628077 391045226 /nfs/dbraw/zinc/04/52/26/391045226.db2.gz PQGCTZILTYMZSO-SRVKXCTJSA-N 1 2 292.383 1.416 20 30 CDEDLO C[C@H](O)C[C@@H]1CCCN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329628077 391045229 /nfs/dbraw/zinc/04/52/29/391045229.db2.gz PQGCTZILTYMZSO-SRVKXCTJSA-N 1 2 292.383 1.416 20 30 CDEDLO C[C@@H]1CC[C@@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000345286715 391117543 /nfs/dbraw/zinc/11/75/43/391117543.db2.gz NLLFCGDLODPXET-HUUCEWRRSA-N 1 2 293.411 1.497 20 30 CDEDLO CCc1nc(CO[NH+]=C(N)[C@@H](C)OCC(C)C)no1 ZINC000266198822 391171053 /nfs/dbraw/zinc/17/10/53/391171053.db2.gz KPYPVPAXESVABO-SECBINFHSA-N 1 2 270.333 1.482 20 30 CDEDLO COC[C@@H](C)O[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000178308822 391184222 /nfs/dbraw/zinc/18/42/22/391184222.db2.gz ZIJRNZKSMAJPEQ-GFCCVEGCSA-N 1 2 292.383 1.744 20 30 CDEDLO C=CCN1C(=O)C(=O)N(Cc2cn3c(cccc3C)[nH+]2)C1=O ZINC000118171187 391218534 /nfs/dbraw/zinc/21/85/34/391218534.db2.gz DWNJTMAERUEMRB-UHFFFAOYSA-N 1 2 298.302 1.120 20 30 CDEDLO C=CCOCC[NH2+][C@@H](C(=O)OCC)[C@H]1CCCOC1 ZINC000339081638 391251219 /nfs/dbraw/zinc/25/12/19/391251219.db2.gz RAXPLLIGZXDDRP-QWHCGFSZSA-N 1 2 271.357 1.137 20 30 CDEDLO CC[C@@H](C)NC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000178977965 391194586 /nfs/dbraw/zinc/19/45/86/391194586.db2.gz FZYIIMJJDKNSSA-SNVBAGLBSA-N 1 2 291.351 1.173 20 30 CDEDLO C=C[C@@H](C)Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000301604727 391280511 /nfs/dbraw/zinc/28/05/11/391280511.db2.gz LZMPJXHQJNGYRG-VXGBXAGGSA-N 1 2 262.357 1.672 20 30 CDEDLO C=C[C@@H](C)Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000301604727 391280516 /nfs/dbraw/zinc/28/05/16/391280516.db2.gz LZMPJXHQJNGYRG-VXGBXAGGSA-N 1 2 262.357 1.672 20 30 CDEDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)[C@@H](C)C#N ZINC000416525083 391314984 /nfs/dbraw/zinc/31/49/84/391314984.db2.gz NEWFPUAGFSIUGJ-NWDGAFQWSA-N 1 2 296.396 1.672 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)CC(C)(C)O1 ZINC000346825381 391373252 /nfs/dbraw/zinc/37/32/52/391373252.db2.gz MPSOFNCEMYZUHZ-LLVKDONJSA-N 1 2 265.357 1.048 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)CC(C)(C)O1 ZINC000346825381 391373254 /nfs/dbraw/zinc/37/32/54/391373254.db2.gz MPSOFNCEMYZUHZ-LLVKDONJSA-N 1 2 265.357 1.048 20 30 CDEDLO CCOC(=O)[C@H]([NH2+]CCC(C)(C)C#N)[C@H]1CCCOC1 ZINC000346955620 391378851 /nfs/dbraw/zinc/37/88/51/391378851.db2.gz HHZDCFVWRXNNCE-QWHCGFSZSA-N 1 2 282.384 1.874 20 30 CDEDLO Cn1nc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1C1CC1 ZINC000328978713 391402032 /nfs/dbraw/zinc/40/20/32/391402032.db2.gz XEGFMJFVBWGDAK-JTQLQIEISA-N 1 2 285.351 1.883 20 30 CDEDLO Cn1nc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1C1CC1 ZINC000328978713 391402036 /nfs/dbraw/zinc/40/20/36/391402036.db2.gz XEGFMJFVBWGDAK-JTQLQIEISA-N 1 2 285.351 1.883 20 30 CDEDLO Cc1nc([C@H]2C[N@H+](CCCCC#N)CCO2)no1 ZINC000330433297 391424082 /nfs/dbraw/zinc/42/40/82/391424082.db2.gz KUIRCLYIYXXKQB-LLVKDONJSA-N 1 2 250.302 1.445 20 30 CDEDLO Cc1nc([C@H]2C[N@@H+](CCCCC#N)CCO2)no1 ZINC000330433297 391424088 /nfs/dbraw/zinc/42/40/88/391424088.db2.gz KUIRCLYIYXXKQB-LLVKDONJSA-N 1 2 250.302 1.445 20 30 CDEDLO C=C(C)CN(C)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411350939 391433928 /nfs/dbraw/zinc/43/39/28/391433928.db2.gz JXLWIORGMQTZJN-UHFFFAOYSA-N 1 2 275.352 1.980 20 30 CDEDLO Cc1cccc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)c1C ZINC000330449583 391434829 /nfs/dbraw/zinc/43/48/29/391434829.db2.gz JFQGHOQFEVSKCH-CQSZACIVSA-N 1 2 292.379 1.301 20 30 CDEDLO COc1ccc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cn1 ZINC000330613655 391447672 /nfs/dbraw/zinc/44/76/72/391447672.db2.gz AGTVUYFCHDQJTQ-LLVKDONJSA-N 1 2 279.340 1.116 20 30 CDEDLO COc1ccc(C(=O)NCC[N@H+]2CCOC[C@H]2C)cn1 ZINC000330613655 391447675 /nfs/dbraw/zinc/44/76/75/391447675.db2.gz AGTVUYFCHDQJTQ-LLVKDONJSA-N 1 2 279.340 1.116 20 30 CDEDLO CN(C)c1ncc(C[NH+]2CCC(F)(C#N)CC2)cn1 ZINC000348706465 391450487 /nfs/dbraw/zinc/45/04/87/391450487.db2.gz HTEHTEQOMLCMJH-UHFFFAOYSA-N 1 2 263.320 1.370 20 30 CDEDLO CN1CC[C@@H]([NH+]2CCC(C#N)(c3ccccn3)CC2)C1=O ZINC000367063867 391462212 /nfs/dbraw/zinc/46/22/12/391462212.db2.gz ABYZITOFIOLFPW-CYBMUJFWSA-N 1 2 284.363 1.169 20 30 CDEDLO C=CC[NH+](CC=C)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000339978099 391508663 /nfs/dbraw/zinc/50/86/63/391508663.db2.gz BFMWUGLKAONMCJ-UHFFFAOYSA-N 1 2 288.307 1.942 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C1(C#N)CCCC1 ZINC000362208155 391715374 /nfs/dbraw/zinc/71/53/74/391715374.db2.gz OWUSJJYEUJXVGK-ZDUSSCGKSA-N 1 2 279.384 1.249 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](CC(=O)OC(C)(C)C)C(C)C)C1=O ZINC000281934128 391674871 /nfs/dbraw/zinc/67/48/71/391674871.db2.gz IGBNWNJDOBUZEA-ZDUSSCGKSA-N 1 2 296.411 1.825 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](CC(=O)OC(C)(C)C)C(C)C)C1=O ZINC000281934128 391674874 /nfs/dbraw/zinc/67/48/74/391674874.db2.gz IGBNWNJDOBUZEA-ZDUSSCGKSA-N 1 2 296.411 1.825 20 30 CDEDLO Cc1nc2cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccc2o1 ZINC000520234954 391755027 /nfs/dbraw/zinc/75/50/27/391755027.db2.gz LGBIDXXLKBUAAI-OAHLLOKOSA-N 1 2 286.335 1.710 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)N1CCC[C@@H]1C1CCOCC1 ZINC000329729766 391760721 /nfs/dbraw/zinc/76/07/21/391760721.db2.gz PHXSQDCXTIJOEL-CQSZACIVSA-N 1 2 292.383 1.725 20 30 CDEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cc2n(n1)CCCO2 ZINC000329958668 391806217 /nfs/dbraw/zinc/80/62/17/391806217.db2.gz QEJHKAAHKWMDBA-JTQLQIEISA-N 1 2 287.323 1.182 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000192230860 130398694 /nfs/dbraw/zinc/39/86/94/130398694.db2.gz QEDDMKAJHQYVSQ-UHFFFAOYSA-N 1 2 281.699 1.752 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000192230860 130398696 /nfs/dbraw/zinc/39/86/96/130398696.db2.gz QEDDMKAJHQYVSQ-UHFFFAOYSA-N 1 2 281.699 1.752 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1ccc(C(=O)OC)cn1 ZINC000491380909 391855606 /nfs/dbraw/zinc/85/56/06/391855606.db2.gz BNRRHCNXIDPHOS-UHFFFAOYSA-N 1 2 256.305 1.327 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(C(=O)OC)cn1 ZINC000491380909 391855609 /nfs/dbraw/zinc/85/56/09/391855609.db2.gz BNRRHCNXIDPHOS-UHFFFAOYSA-N 1 2 256.305 1.327 20 30 CDEDLO C=C[C@@H](O)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000646620866 392597661 /nfs/dbraw/zinc/59/76/61/392597661.db2.gz HJRYQQACDSSJFS-CQSZACIVSA-N 1 2 273.336 1.398 20 30 CDEDLO Cc1[nH+]c2ccccn2c1COc1cnc(C#N)nc1 ZINC000488805353 392727463 /nfs/dbraw/zinc/72/74/63/392727463.db2.gz DKRKARNOZRGRTP-UHFFFAOYSA-N 1 2 265.276 1.883 20 30 CDEDLO N#Cc1ccc(N2CCC([NH2+]CC(F)(F)CN)CC2)cc1 ZINC000423344470 392963058 /nfs/dbraw/zinc/96/30/58/392963058.db2.gz MWJQVLFZPSZNDL-UHFFFAOYSA-N 1 2 294.349 1.711 20 30 CDEDLO CC[C@@]1(O)CC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000425929921 393032249 /nfs/dbraw/zinc/03/22/49/393032249.db2.gz HMIXJJOKVBSIJJ-GOEBONIOSA-N 1 2 288.347 1.619 20 30 CDEDLO CC[C@@]1(O)CC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000425929921 393032257 /nfs/dbraw/zinc/03/22/57/393032257.db2.gz HMIXJJOKVBSIJJ-GOEBONIOSA-N 1 2 288.347 1.619 20 30 CDEDLO Cc1c[nH+]c(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1C ZINC000430185406 393090941 /nfs/dbraw/zinc/09/09/41/393090941.db2.gz IZHOKSCKBXXDLU-CQSZACIVSA-N 1 2 297.362 1.649 20 30 CDEDLO Cc1cnc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1C ZINC000430185406 393090948 /nfs/dbraw/zinc/09/09/48/393090948.db2.gz IZHOKSCKBXXDLU-CQSZACIVSA-N 1 2 297.362 1.649 20 30 CDEDLO Cc1cnc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1C ZINC000430185406 393090950 /nfs/dbraw/zinc/09/09/50/393090950.db2.gz IZHOKSCKBXXDLU-CQSZACIVSA-N 1 2 297.362 1.649 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)cc1 ZINC000042375626 393435672 /nfs/dbraw/zinc/43/56/72/393435672.db2.gz KTAHLTARJUCGAS-LLVKDONJSA-N 1 2 254.293 1.573 20 30 CDEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000078596162 135001468 /nfs/dbraw/zinc/00/14/68/135001468.db2.gz WUCCVRHIPNYEFA-UHFFFAOYSA-N 1 2 298.390 1.303 20 30 CDEDLO C[C@H]1C[N@H+](CCOc2cccc(C#N)c2)C[C@@H](CO)O1 ZINC000229963153 140204613 /nfs/dbraw/zinc/20/46/13/140204613.db2.gz RYDWBSKRFGRQNI-WFASDCNBSA-N 1 2 276.336 1.019 20 30 CDEDLO C[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)C[C@@H](CO)O1 ZINC000229963153 140204614 /nfs/dbraw/zinc/20/46/14/140204614.db2.gz RYDWBSKRFGRQNI-WFASDCNBSA-N 1 2 276.336 1.019 20 30 CDEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc(C#N)cs1 ZINC000093421931 147050841 /nfs/dbraw/zinc/05/08/41/147050841.db2.gz DAMLFCNOCQNLIH-ZJUUUORDSA-N 1 2 286.422 1.873 20 30 CDEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000093421931 147050844 /nfs/dbraw/zinc/05/08/44/147050844.db2.gz DAMLFCNOCQNLIH-ZJUUUORDSA-N 1 2 286.422 1.873 20 30 CDEDLO C[NH+]1CCN(C(=O)CSc2ccccc2C#N)CC1 ZINC000335071829 150259038 /nfs/dbraw/zinc/25/90/38/150259038.db2.gz BOTAYMOHGYUIJS-UHFFFAOYSA-N 1 2 275.377 1.424 20 30 CDEDLO Cc1ccc(C#N)cc1NC(=O)NCc1[nH]cc[nH+]1 ZINC000335807350 151036485 /nfs/dbraw/zinc/03/64/85/151036485.db2.gz QVXNPKLWRJQMBT-UHFFFAOYSA-N 1 2 255.281 1.912 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)CSc1ccc(C#N)cc1 ZINC000343283218 152102072 /nfs/dbraw/zinc/10/20/72/152102072.db2.gz CNLLGBRCBCJABR-UHFFFAOYSA-N 1 2 286.360 1.700 20 30 CDEDLO CC[N@H+](C[C@H](C)O)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000352220797 155032956 /nfs/dbraw/zinc/03/29/56/155032956.db2.gz JWCPDPMZYIQQOS-SMDDNHRTSA-N 1 2 276.336 1.475 20 30 CDEDLO CC[N@@H+](C[C@H](C)O)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000352220797 155032960 /nfs/dbraw/zinc/03/29/60/155032960.db2.gz JWCPDPMZYIQQOS-SMDDNHRTSA-N 1 2 276.336 1.475 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000355419469 157041009 /nfs/dbraw/zinc/04/10/09/157041009.db2.gz KOVDKEKHJCSEKC-UHFFFAOYSA-N 1 2 270.292 1.861 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000355419469 157041013 /nfs/dbraw/zinc/04/10/13/157041013.db2.gz KOVDKEKHJCSEKC-UHFFFAOYSA-N 1 2 270.292 1.861 20 30 CDEDLO CCn1ncnc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000355599074 157136398 /nfs/dbraw/zinc/13/63/98/157136398.db2.gz MRWRIOYEXGXROT-UHFFFAOYSA-N 1 2 259.288 1.599 20 30 CDEDLO Cc1nc(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)ccc1C#N ZINC000374397895 160283181 /nfs/dbraw/zinc/28/31/81/160283181.db2.gz GAVPVFQSPGCFTI-ZDUSSCGKSA-N 1 2 295.346 1.766 20 30 CDEDLO CCc1cc(NCC#CCO)nc(-c2ccncc2)[nH+]1 ZINC000285605072 196340631 /nfs/dbraw/zinc/34/06/31/196340631.db2.gz LWZPKDPNCIQCOX-UHFFFAOYSA-N 1 2 268.320 1.509 20 30 CDEDLO C=CCCn1cc(CN[C@@H]2C[C@H](C)n3cc[nH+]c32)nn1 ZINC000657485341 414383644 /nfs/dbraw/zinc/38/36/44/414383644.db2.gz ZKJSYGWOMCOJBS-WCQYABFASA-N 1 2 272.356 1.846 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000662166646 414547316 /nfs/dbraw/zinc/54/73/16/414547316.db2.gz BHCQXNIKZQCUND-VHSXEESVSA-N 1 2 259.309 1.533 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000045173539 175322150 /nfs/dbraw/zinc/32/21/50/175322150.db2.gz LALWHBONGNIMQR-LBPRGKRZSA-N 1 2 266.366 1.872 20 30 CDEDLO C#CCN1C(=O)c2ccccc2N[C@H]1c1[nH]c[nH+]c1C ZINC000078756817 177382378 /nfs/dbraw/zinc/38/23/78/177382378.db2.gz PPVLSDGUENKOIG-CQSZACIVSA-N 1 2 266.304 1.918 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cncc(F)c1 ZINC000344679974 225123793 /nfs/dbraw/zinc/12/37/93/225123793.db2.gz ABGCWVMCQSELLF-UHFFFAOYSA-N 1 2 292.358 1.269 20 30 CDEDLO Cc1ccc(NC(=O)N2CCN3C(=O)CC[C@H]3C2)c(C)[nH+]1 ZINC000329131295 227318460 /nfs/dbraw/zinc/31/84/60/227318460.db2.gz OTBMMXOOCWAYJQ-LBPRGKRZSA-N 1 2 288.351 1.551 20 30 CDEDLO Cc1ncoc1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000329991213 228009649 /nfs/dbraw/zinc/00/96/49/228009649.db2.gz JTBOTVGCQYSKLS-SECBINFHSA-N 1 2 253.302 1.008 20 30 CDEDLO Cc1cc([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)n(C)n1 ZINC000330208690 228066761 /nfs/dbraw/zinc/06/67/61/228066761.db2.gz GXWQCKQRRVZESA-SNVBAGLBSA-N 1 2 274.328 1.266 20 30 CDEDLO Cc1cc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)n(C)n1 ZINC000330208690 228066763 /nfs/dbraw/zinc/06/67/63/228066763.db2.gz GXWQCKQRRVZESA-SNVBAGLBSA-N 1 2 274.328 1.266 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCC(=O)NC2CC2)ccc1F ZINC000049066043 260203261 /nfs/dbraw/zinc/20/32/61/260203261.db2.gz DCLFHKOBYIKSBP-UHFFFAOYSA-N 1 2 265.288 1.050 20 30 CDEDLO CS(=O)(=O)CC1(C[NH+]2CCC(C#N)CC2)CC1 ZINC000408057995 260204749 /nfs/dbraw/zinc/20/47/49/260204749.db2.gz CVIKKULJXFVSGR-UHFFFAOYSA-N 1 2 256.371 1.047 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H](C)[C@H]1CCCOC1)C(=O)OC ZINC000361114327 261162637 /nfs/dbraw/zinc/16/26/37/261162637.db2.gz RPXZISHHFATDHH-AGIUHOORSA-N 1 2 271.357 1.135 20 30 CDEDLO C#C[C@H](CC)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000490739639 261197166 /nfs/dbraw/zinc/19/71/66/261197166.db2.gz JSDIUHMJPQYRLS-TZMCWYRMSA-N 1 2 264.369 1.158 20 30 CDEDLO C#C[C@H](CC)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000490739639 261197167 /nfs/dbraw/zinc/19/71/67/261197167.db2.gz JSDIUHMJPQYRLS-TZMCWYRMSA-N 1 2 264.369 1.158 20 30 CDEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1cccnc1 ZINC000162975439 261300594 /nfs/dbraw/zinc/30/05/94/261300594.db2.gz ALTOOJVJJSIMGH-UHFFFAOYSA-N 1 2 286.379 1.856 20 30 CDEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1cccnc1 ZINC000162975439 261300596 /nfs/dbraw/zinc/30/05/96/261300596.db2.gz ALTOOJVJJSIMGH-UHFFFAOYSA-N 1 2 286.379 1.856 20 30 CDEDLO COC[C@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)c1ccc(C)o1 ZINC000184729273 262027705 /nfs/dbraw/zinc/02/77/05/262027705.db2.gz ZTKBSSXDYFKXMP-OLZOCXBDSA-N 1 2 293.367 1.626 20 30 CDEDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC#N ZINC000497242713 262123565 /nfs/dbraw/zinc/12/35/65/262123565.db2.gz HZJUXSQXFUFWDC-QWRGUYRKSA-N 1 2 253.346 1.745 20 30 CDEDLO N#CCCN(Cc1ccco1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364402355 262230186 /nfs/dbraw/zinc/23/01/86/262230186.db2.gz XMHKBSYKPGOLOR-CYBMUJFWSA-N 1 2 298.346 1.981 20 30 CDEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@@H](CO)C1 ZINC000268947633 262960672 /nfs/dbraw/zinc/96/06/72/262960672.db2.gz DKYLOJHCVBOOOS-CQSZACIVSA-N 1 2 274.364 1.681 20 30 CDEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@@H](CO)C1 ZINC000268947633 262960673 /nfs/dbraw/zinc/96/06/73/262960673.db2.gz DKYLOJHCVBOOOS-CQSZACIVSA-N 1 2 274.364 1.681 20 30 CDEDLO CCN(C)C(=O)CO[NH+]=C(N)Cc1ccc(OC)cc1 ZINC000273594223 263018058 /nfs/dbraw/zinc/01/80/58/263018058.db2.gz VCZKMFOTWPVEKI-UHFFFAOYSA-N 1 2 279.340 1.005 20 30 CDEDLO CCC(CC)n1ccc(CO[NH+]=C(N)CCO)n1 ZINC000275552518 263033536 /nfs/dbraw/zinc/03/35/36/263033536.db2.gz VJAKYUZIHUAAPU-UHFFFAOYSA-N 1 2 254.334 1.415 20 30 CDEDLO C[C@H](CCC#N)N1CC[NH+](Cc2ccncc2)CC1 ZINC000276274744 263035671 /nfs/dbraw/zinc/03/56/71/263035671.db2.gz DOWKWPDBBZSMRH-CQSZACIVSA-N 1 2 258.369 1.891 20 30 CDEDLO C[C@H](CCC#N)N1CC[NH+](Cc2ccccn2)CC1 ZINC000276321895 263035865 /nfs/dbraw/zinc/03/58/65/263035865.db2.gz OVBGCCLAVGDQCG-CQSZACIVSA-N 1 2 258.369 1.891 20 30 CDEDLO C[C@H]1C[N@H+](CCOc2ccccc2C#N)CC[S@](=O)C1 ZINC000277573234 263042098 /nfs/dbraw/zinc/04/20/98/263042098.db2.gz VFADCKKWAMQWRZ-RBZFPXEDSA-N 1 2 292.404 1.637 20 30 CDEDLO C[C@H]1C[N@@H+](CCOc2ccccc2C#N)CC[S@](=O)C1 ZINC000277573234 263042099 /nfs/dbraw/zinc/04/20/99/263042099.db2.gz VFADCKKWAMQWRZ-RBZFPXEDSA-N 1 2 292.404 1.637 20 30 CDEDLO C#CCN(CC#N)C(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000281559809 263070298 /nfs/dbraw/zinc/07/02/98/263070298.db2.gz PXQHJBODIPCIPL-UHFFFAOYSA-N 1 2 280.331 1.584 20 30 CDEDLO NC(Cc1ccc(Cl)cc1)=[NH+]OC[C@H]1CNC(=O)O1 ZINC000282250118 263075431 /nfs/dbraw/zinc/07/54/31/263075431.db2.gz MUMQUIRMKOUGLS-SNVBAGLBSA-N 1 2 283.715 1.280 20 30 CDEDLO CO/N=C/C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000282918772 263079632 /nfs/dbraw/zinc/07/96/32/263079632.db2.gz FBXBMBOJEKGREI-XNTDXEJSSA-N 1 2 277.324 1.090 20 30 CDEDLO C=CCN(CCC#N)CCOCC[N@@H+](CC=C)CCC#N ZINC000292256308 263130212 /nfs/dbraw/zinc/13/02/12/263130212.db2.gz RDIPDSSFRUQKAW-UHFFFAOYSA-N 1 2 290.411 1.806 20 30 CDEDLO C=CCN(CCC#N)CCOCC[N@H+](CC=C)CCC#N ZINC000292256308 263130213 /nfs/dbraw/zinc/13/02/13/263130213.db2.gz RDIPDSSFRUQKAW-UHFFFAOYSA-N 1 2 290.411 1.806 20 30 CDEDLO C=CCN(CCC#N)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000293632902 263145606 /nfs/dbraw/zinc/14/56/06/263145606.db2.gz CUTOVHJCFFRDJQ-UHFFFAOYSA-N 1 2 265.357 1.025 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccccc1OCC#N ZINC000299142887 263232162 /nfs/dbraw/zinc/23/21/62/263232162.db2.gz UBIFWXFJCJPAFX-LBPRGKRZSA-N 1 2 284.319 1.604 20 30 CDEDLO CCN(CC#N)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000299298917 263238238 /nfs/dbraw/zinc/23/82/38/263238238.db2.gz MYNWUDNOBVJYPJ-UHFFFAOYSA-N 1 2 268.320 1.917 20 30 CDEDLO N#CCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000299671263 263251277 /nfs/dbraw/zinc/25/12/77/263251277.db2.gz NLPVSWKVBGJHEJ-ZDUSSCGKSA-N 1 2 275.377 1.416 20 30 CDEDLO C=CC1CC[NH+](CC(=O)Nc2nncs2)CC1 ZINC000171953517 335086552 /nfs/dbraw/zinc/08/65/52/335086552.db2.gz RFMVBMKSQSMPMF-UHFFFAOYSA-N 1 2 252.343 1.375 20 30 CDEDLO COCc1noc([C@H](C)[NH+]2CCC(C)(C#N)CC2)n1 ZINC000330852912 264068659 /nfs/dbraw/zinc/06/86/59/264068659.db2.gz REXBKLVDQLPJIK-JTQLQIEISA-N 1 2 264.329 1.903 20 30 CDEDLO CC(=O)N1CC[NH+](CCNC(=O)C2=CCCC2)CC1 ZINC000330989140 264104516 /nfs/dbraw/zinc/10/45/16/264104516.db2.gz RBANIHOGCYFYRM-UHFFFAOYSA-N 1 2 265.357 1.217 20 30 CDEDLO CCc1nc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)co1 ZINC000331073231 264113975 /nfs/dbraw/zinc/11/39/75/264113975.db2.gz UGSAGNDZWBRLDZ-JTQLQIEISA-N 1 2 267.329 1.262 20 30 CDEDLO CCc1nc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)co1 ZINC000331073231 264113977 /nfs/dbraw/zinc/11/39/77/264113977.db2.gz UGSAGNDZWBRLDZ-JTQLQIEISA-N 1 2 267.329 1.262 20 30 CDEDLO CC(C)=CCCNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000331076480 264115192 /nfs/dbraw/zinc/11/51/92/264115192.db2.gz LPMLYOYRAYSMGG-KGLIPLIRSA-N 1 2 283.416 1.956 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1c(O)cccc1F ZINC000331229502 264152223 /nfs/dbraw/zinc/15/22/23/264152223.db2.gz HCIWYDSZLFDFSD-JTQLQIEISA-N 1 2 282.315 1.557 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1c(O)cccc1F ZINC000331229502 264152225 /nfs/dbraw/zinc/15/22/25/264152225.db2.gz HCIWYDSZLFDFSD-JTQLQIEISA-N 1 2 282.315 1.557 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000331202487 264160958 /nfs/dbraw/zinc/16/09/58/264160958.db2.gz QUQHWOGOIYAAPX-DGCLKSJQSA-N 1 2 263.341 1.723 20 30 CDEDLO CCOc1nccc(C)c1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000331217108 264165123 /nfs/dbraw/zinc/16/51/23/264165123.db2.gz QEVIXUGWVJNSKZ-GFCCVEGCSA-N 1 2 293.367 1.424 20 30 CDEDLO CCOc1nccc(C)c1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000331217108 264165124 /nfs/dbraw/zinc/16/51/24/264165124.db2.gz QEVIXUGWVJNSKZ-GFCCVEGCSA-N 1 2 293.367 1.424 20 30 CDEDLO Cc1cc[nH]c1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000331243215 264177754 /nfs/dbraw/zinc/17/77/54/264177754.db2.gz YVZIBYYICZCTON-LLVKDONJSA-N 1 2 251.330 1.348 20 30 CDEDLO Cc1ccc(NC(=O)NC[C@@H]2COCCO2)c(C)[nH+]1 ZINC000331344858 264204794 /nfs/dbraw/zinc/20/47/94/264204794.db2.gz PXZCUAWBCBKFFR-LLVKDONJSA-N 1 2 265.313 1.440 20 30 CDEDLO C=CCCn1cc(C[N@@H+](C)[C@@H](CO)COC(C)C)nn1 ZINC000653643096 424379043 /nfs/dbraw/zinc/37/90/43/424379043.db2.gz APOTUULTLBEMGP-AWEZNQCLSA-N 1 2 282.388 1.072 20 30 CDEDLO C=CCCn1cc(C[N@H+](C)[C@@H](CO)COC(C)C)nn1 ZINC000653643096 424379050 /nfs/dbraw/zinc/37/90/50/424379050.db2.gz APOTUULTLBEMGP-AWEZNQCLSA-N 1 2 282.388 1.072 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](n3cccn3)C2)nn1 ZINC000653692197 424437028 /nfs/dbraw/zinc/43/70/28/424437028.db2.gz BAUHLUYBBCDKMD-AWEZNQCLSA-N 1 2 272.356 1.498 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CC[C@H](n3cccn3)C2)nn1 ZINC000653692197 424437036 /nfs/dbraw/zinc/43/70/36/424437036.db2.gz BAUHLUYBBCDKMD-AWEZNQCLSA-N 1 2 272.356 1.498 20 30 CDEDLO CC#CC[N@H+](C)Cc1ccc(OCC(F)(F)F)nn1 ZINC000653708168 424467255 /nfs/dbraw/zinc/46/72/55/424467255.db2.gz JQEUIXXKSFYMOG-UHFFFAOYSA-N 1 2 273.258 1.873 20 30 CDEDLO CC#CC[N@@H+](C)Cc1ccc(OCC(F)(F)F)nn1 ZINC000653708168 424467264 /nfs/dbraw/zinc/46/72/64/424467264.db2.gz JQEUIXXKSFYMOG-UHFFFAOYSA-N 1 2 273.258 1.873 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NCC(F)(F)F ZINC000356478078 266122306 /nfs/dbraw/zinc/12/23/06/266122306.db2.gz QAXCUKMSFLLQQZ-BDAKNGLRSA-N 1 2 265.279 1.535 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NCC(F)(F)F ZINC000356478078 266122310 /nfs/dbraw/zinc/12/23/10/266122310.db2.gz QAXCUKMSFLLQQZ-BDAKNGLRSA-N 1 2 265.279 1.535 20 30 CDEDLO C=C[C@H](CO)NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000356850111 266188958 /nfs/dbraw/zinc/18/89/58/266188958.db2.gz AIMXEHILLABAJP-GHMZBOCLSA-N 1 2 277.368 1.301 20 30 CDEDLO C=C[C@H](CO)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000356850111 266188962 /nfs/dbraw/zinc/18/89/62/266188962.db2.gz AIMXEHILLABAJP-GHMZBOCLSA-N 1 2 277.368 1.301 20 30 CDEDLO N#CCc1cccc(C(=O)NCCNc2cccc[nH+]2)c1 ZINC000357722546 266351784 /nfs/dbraw/zinc/35/17/84/266351784.db2.gz VITRCQRAEUXNET-UHFFFAOYSA-N 1 2 280.331 1.990 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000357918575 266385081 /nfs/dbraw/zinc/38/50/81/266385081.db2.gz UCWAHFBPCRHQMU-MRVPVSSYSA-N 1 2 274.246 1.563 20 30 CDEDLO C=CC[C@@H](C)NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000117078462 267200596 /nfs/dbraw/zinc/20/05/96/267200596.db2.gz HTDWKLHQPKJQSA-GFCCVEGCSA-N 1 2 298.346 1.892 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000370069161 267288297 /nfs/dbraw/zinc/28/82/97/267288297.db2.gz FCGBSQMPSYNSQB-DJJJIMSYSA-N 1 2 286.441 1.254 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000370069161 267288299 /nfs/dbraw/zinc/28/82/99/267288299.db2.gz FCGBSQMPSYNSQB-DJJJIMSYSA-N 1 2 286.441 1.254 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000370308050 267307932 /nfs/dbraw/zinc/30/79/32/267307932.db2.gz LKHUUVYDZWULIG-CQSZACIVSA-N 1 2 296.374 1.077 20 30 CDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCCCC#N ZINC000376368331 267967705 /nfs/dbraw/zinc/96/77/05/267967705.db2.gz SNXSLQHPGWMDQA-ZIAGYGMSSA-N 1 2 294.399 1.185 20 30 CDEDLO N#Cc1cc(N2CC[NH+](Cc3cccnc3)CC2)ncn1 ZINC000525888713 268184695 /nfs/dbraw/zinc/18/46/95/268184695.db2.gz FOUMKEHZJRKRCP-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000331422305 278293621 /nfs/dbraw/zinc/29/36/21/278293621.db2.gz QMDTUKSMKGVYNC-LBPRGKRZSA-N 1 2 263.385 1.917 20 30 CDEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000331422305 278293622 /nfs/dbraw/zinc/29/36/22/278293622.db2.gz QMDTUKSMKGVYNC-LBPRGKRZSA-N 1 2 263.385 1.917 20 30 CDEDLO Cc1nsc(N2CC[NH+]([C@@H]3CCOC3)CC2)c1C#N ZINC000286241376 279264401 /nfs/dbraw/zinc/26/44/01/279264401.db2.gz OSANEBHZMCVADP-LLVKDONJSA-N 1 2 278.381 1.234 20 30 CDEDLO CC[NH+]1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000060320099 279373453 /nfs/dbraw/zinc/37/34/53/279373453.db2.gz HJIWZYDQGTYBAK-UHFFFAOYSA-N 1 2 251.280 1.978 20 30 CDEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cccc2c1OCCO2 ZINC000330313269 279716651 /nfs/dbraw/zinc/71/66/51/279716651.db2.gz OSAXFDDTAWLGFR-NSHDSACASA-N 1 2 299.330 1.974 20 30 CDEDLO Cc1cc(N[C@@H]2CCc3c[nH]nc3C2)c(C#N)c[nH+]1 ZINC000333538631 280300358 /nfs/dbraw/zinc/30/03/58/280300358.db2.gz ZNXAKEFRFWFKQR-GFCCVEGCSA-N 1 2 253.309 1.376 20 30 CDEDLO C[C@H](O)C[C@H]1COCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000554888907 290196398 /nfs/dbraw/zinc/19/63/98/290196398.db2.gz MJHDBKUDWURPCZ-JQWIXIFHSA-N 1 2 266.366 1.591 20 30 CDEDLO C[C@H](O)C[C@H]1COCC[N@H+]1Cc1cc(C#N)cs1 ZINC000554888907 290196401 /nfs/dbraw/zinc/19/64/01/290196401.db2.gz MJHDBKUDWURPCZ-JQWIXIFHSA-N 1 2 266.366 1.591 20 30 CDEDLO CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)c1cccc(C#N)c1 ZINC000570791212 294308469 /nfs/dbraw/zinc/30/84/69/294308469.db2.gz CCAQGVXLVNVBKS-ZDUSSCGKSA-N 1 2 280.331 1.980 20 30 CDEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccncc3)CC2)nc1 ZINC000574350539 294987863 /nfs/dbraw/zinc/98/78/63/294987863.db2.gz PZUQJRQSEBAPNV-UHFFFAOYSA-N 1 2 293.374 1.666 20 30 CDEDLO C[C@H]1CCN(c2ncncc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000574562771 295018025 /nfs/dbraw/zinc/01/80/25/295018025.db2.gz XYGABGTWQGTMQY-AAEUAGOBSA-N 1 2 268.324 1.632 20 30 CDEDLO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(C#N)cn1 ZINC000575239300 295095127 /nfs/dbraw/zinc/09/51/27/295095127.db2.gz AZHBHAVMHKKHNV-UHFFFAOYSA-N 1 2 255.325 1.709 20 30 CDEDLO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(C#N)cn1 ZINC000575239300 295095128 /nfs/dbraw/zinc/09/51/28/295095128.db2.gz AZHBHAVMHKKHNV-UHFFFAOYSA-N 1 2 255.325 1.709 20 30 CDEDLO C[C@@H]1OCC[C@]1(C)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000329575854 297638368 /nfs/dbraw/zinc/63/83/68/297638368.db2.gz SCFRXOXBBKEXNA-WFASDCNBSA-N 1 2 299.415 1.168 20 30 CDEDLO C[C@H](C(=O)N1CCCCC1)[NH+]1CCC(F)(C#N)CC1 ZINC000352490454 298013476 /nfs/dbraw/zinc/01/34/76/298013476.db2.gz IQBFLBJUOZWDPK-GFCCVEGCSA-N 1 2 267.348 1.715 20 30 CDEDLO COc1cccc(CO[NH+]=C(N)C(C)(C)NC(C)=O)c1 ZINC000183173813 327818163 /nfs/dbraw/zinc/81/81/63/327818163.db2.gz JRSLYOZVAXZYAL-UHFFFAOYSA-N 1 2 279.340 1.399 20 30 CDEDLO CC[C@@H](CC#N)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000563366527 328059469 /nfs/dbraw/zinc/05/94/69/328059469.db2.gz ISKBDXOUJMGWHA-WCQYABFASA-N 1 2 275.356 1.197 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1COc2ccccc21 ZINC000571138846 328087646 /nfs/dbraw/zinc/08/76/46/328087646.db2.gz GDWMYDPUOCYDBO-SWLSCSKDSA-N 1 2 273.336 1.123 20 30 CDEDLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000280854072 328236706 /nfs/dbraw/zinc/23/67/06/328236706.db2.gz YHXWYTHWSSFNQR-NSHDSACASA-N 1 2 262.309 1.582 20 30 CDEDLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000280854072 328236707 /nfs/dbraw/zinc/23/67/07/328236707.db2.gz YHXWYTHWSSFNQR-NSHDSACASA-N 1 2 262.309 1.582 20 30 CDEDLO C=C1CC[NH+]([C@H](C)c2nc(N)nc(N(C)C)n2)CC1 ZINC000533420562 326830701 /nfs/dbraw/zinc/83/07/01/326830701.db2.gz MEAVPMYXDPBFNX-SNVBAGLBSA-N 1 2 262.361 1.063 20 30 CDEDLO C[C@H](CC#N)NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000553427280 327018547 /nfs/dbraw/zinc/01/85/47/327018547.db2.gz UFVNJBPJADQDKP-RKDXNWHRSA-N 1 2 288.273 1.874 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COCc1cccs1 ZINC000098072133 327211977 /nfs/dbraw/zinc/21/19/77/327211977.db2.gz YNIGQMFPFHBRPR-LLVKDONJSA-N 1 2 254.355 1.471 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COCc1cccs1 ZINC000098072133 327211978 /nfs/dbraw/zinc/21/19/78/327211978.db2.gz YNIGQMFPFHBRPR-LLVKDONJSA-N 1 2 254.355 1.471 20 30 CDEDLO COc1ccc(C[NH2+]C[C@H](C#N)CCC#N)c(OC)n1 ZINC000562232103 327458010 /nfs/dbraw/zinc/45/80/10/327458010.db2.gz AQGGTQROGSLMQZ-NSHDSACASA-N 1 2 274.324 1.632 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000106239963 328645091 /nfs/dbraw/zinc/64/50/91/328645091.db2.gz IYZMWAUIWXAQFK-IUCAKERBSA-N 1 2 282.369 1.194 20 30 CDEDLO COC(=O)N1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000399011375 328657114 /nfs/dbraw/zinc/65/71/14/328657114.db2.gz BDHQUJAVTSGWCG-UHFFFAOYSA-N 1 2 273.336 1.637 20 30 CDEDLO CC[C@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171005931 329069350 /nfs/dbraw/zinc/06/93/50/329069350.db2.gz JGKOJAJXSUUWDV-GFCCVEGCSA-N 1 2 254.293 1.904 20 30 CDEDLO C#CC[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000161831824 329956529 /nfs/dbraw/zinc/95/65/29/329956529.db2.gz LIRHYQHXEWPBHM-JTQLQIEISA-N 1 2 267.126 1.198 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N[C@]3(C#N)CCOC3)ccn12 ZINC000572376081 330022093 /nfs/dbraw/zinc/02/20/93/330022093.db2.gz BKCLYJFQOWHJRW-AWEZNQCLSA-N 1 2 270.292 1.055 20 30 CDEDLO N#CC[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000527536580 330263793 /nfs/dbraw/zinc/26/37/93/330263793.db2.gz QWOWXRFAEXSRCI-ZDUSSCGKSA-N 1 2 260.341 1.816 20 30 CDEDLO C=CCn1cc(C[NH2+][C@H](C)c2cc(C(=O)OC)co2)nn1 ZINC000424291212 330334939 /nfs/dbraw/zinc/33/49/39/330334939.db2.gz DHFBCUIIPFUHKZ-SNVBAGLBSA-N 1 2 290.323 1.695 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)C[C@@H](C2CC2)O1 ZINC000548753201 330351285 /nfs/dbraw/zinc/35/12/85/330351285.db2.gz UYCVWWDFEPWTFY-YPMHNXCESA-N 1 2 277.368 1.048 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)C[C@@H](C2CC2)O1 ZINC000548753201 330351286 /nfs/dbraw/zinc/35/12/86/330351286.db2.gz UYCVWWDFEPWTFY-YPMHNXCESA-N 1 2 277.368 1.048 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000437617121 330705056 /nfs/dbraw/zinc/70/50/56/330705056.db2.gz XPBKVMOREMOGEA-DZGCQCFKSA-N 1 2 284.400 1.052 20 30 CDEDLO C=CC(C)(C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000452774329 331076139 /nfs/dbraw/zinc/07/61/39/331076139.db2.gz KZIYUYCBXFGJOM-AWEZNQCLSA-N 1 2 280.412 1.958 20 30 CDEDLO C=CC(C)(C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000452774329 331076140 /nfs/dbraw/zinc/07/61/40/331076140.db2.gz KZIYUYCBXFGJOM-AWEZNQCLSA-N 1 2 280.412 1.958 20 30 CDEDLO COCC[N@H+](CC#N)C[C@@H](C)CC1CCOCC1 ZINC000453595980 331135406 /nfs/dbraw/zinc/13/54/06/331135406.db2.gz IOOFHDLHRVXOOP-ZDUSSCGKSA-N 1 2 254.374 1.911 20 30 CDEDLO COCC[N@@H+](CC#N)C[C@@H](C)CC1CCOCC1 ZINC000453595980 331135407 /nfs/dbraw/zinc/13/54/07/331135407.db2.gz IOOFHDLHRVXOOP-ZDUSSCGKSA-N 1 2 254.374 1.911 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccn(C)n1 ZINC000459782975 331300739 /nfs/dbraw/zinc/30/07/39/331300739.db2.gz HTEHUKQRIASZOC-XUJVJEKNSA-N 1 2 291.399 1.514 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000489260622 332044618 /nfs/dbraw/zinc/04/46/18/332044618.db2.gz SWHWGFYAFFKDQX-NSHDSACASA-N 1 2 278.327 1.711 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCOc2ccc(F)cc2C1 ZINC000489260622 332044619 /nfs/dbraw/zinc/04/46/19/332044619.db2.gz SWHWGFYAFFKDQX-NSHDSACASA-N 1 2 278.327 1.711 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N(CC(F)(F)F)C(C)C ZINC000490699284 332105989 /nfs/dbraw/zinc/10/59/89/332105989.db2.gz QFWXGZOHSFYJBM-UHFFFAOYSA-N 1 2 288.313 1.744 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N(CC(F)(F)F)C(C)C ZINC000490699284 332105991 /nfs/dbraw/zinc/10/59/91/332105991.db2.gz QFWXGZOHSFYJBM-UHFFFAOYSA-N 1 2 288.313 1.744 20 30 CDEDLO C#C[C@@H](NC(=O)NCCCCn1cc[nH+]c1)C(C)C ZINC000490972935 332134707 /nfs/dbraw/zinc/13/47/07/332134707.db2.gz IRWXFCQETZNPHH-CYBMUJFWSA-N 1 2 262.357 1.620 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@H]2CC[C@H](C#N)C2)n1 ZINC000491068947 332145273 /nfs/dbraw/zinc/14/52/73/332145273.db2.gz SHPGORCYKLADNS-HOCLYGCPSA-N 1 2 286.379 1.657 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)[C@H]2CC[C@H](C#N)C2)n1 ZINC000491068947 332145274 /nfs/dbraw/zinc/14/52/74/332145274.db2.gz SHPGORCYKLADNS-HOCLYGCPSA-N 1 2 286.379 1.657 20 30 CDEDLO C#CC[N@H+](Cc1ccccc1)CC1(CS(C)(=O)=O)CC1 ZINC000491126921 332154429 /nfs/dbraw/zinc/15/44/29/332154429.db2.gz UMNRORWORJLVDM-UHFFFAOYSA-N 1 2 291.416 1.947 20 30 CDEDLO C#CC[N@@H+](Cc1ccccc1)CC1(CS(C)(=O)=O)CC1 ZINC000491126921 332154431 /nfs/dbraw/zinc/15/44/31/332154431.db2.gz UMNRORWORJLVDM-UHFFFAOYSA-N 1 2 291.416 1.947 20 30 CDEDLO C#CCN(C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000491191867 332163006 /nfs/dbraw/zinc/16/30/06/332163006.db2.gz IOXWFZODEDPLQN-UHFFFAOYSA-N 1 2 269.308 1.423 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000491289198 332182611 /nfs/dbraw/zinc/18/26/11/332182611.db2.gz XOQUKOXASKVSBW-SECBINFHSA-N 1 2 252.264 1.857 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000491289198 332182612 /nfs/dbraw/zinc/18/26/12/332182612.db2.gz XOQUKOXASKVSBW-SECBINFHSA-N 1 2 252.264 1.857 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)CN(/C=C\c2ccccc2)C1=O ZINC000491340726 332193846 /nfs/dbraw/zinc/19/38/46/332193846.db2.gz ZSGPXWYZZFUTLM-BMSUMIBZSA-N 1 2 297.358 1.833 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)CN(/C=C\c2ccccc2)C1=O ZINC000491340726 332193847 /nfs/dbraw/zinc/19/38/47/332193847.db2.gz ZSGPXWYZZFUTLM-BMSUMIBZSA-N 1 2 297.358 1.833 20 30 CDEDLO C#CCNC(=O)C1CC[NH+]([C@H](C)c2nnc(C)s2)CC1 ZINC000491419521 332208336 /nfs/dbraw/zinc/20/83/36/332208336.db2.gz UYVAKYZFTNSUJB-SNVBAGLBSA-N 1 2 292.408 1.369 20 30 CDEDLO C#CCN(CC#C)C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000491452857 332214241 /nfs/dbraw/zinc/21/42/41/332214241.db2.gz NTYVAPRHIRAVSK-NSHDSACASA-N 1 2 297.280 1.551 20 30 CDEDLO C#CC[N@@H+](CC(=O)N([C@H](C)C1CC1)C1CC1)C1CC1 ZINC000491460780 332215540 /nfs/dbraw/zinc/21/55/40/332215540.db2.gz AZNFJMDLIQJMPP-GFCCVEGCSA-N 1 2 260.381 1.874 20 30 CDEDLO C#CC[N@H+](CC(=O)N([C@H](C)C1CC1)C1CC1)C1CC1 ZINC000491460780 332215541 /nfs/dbraw/zinc/21/55/41/332215541.db2.gz AZNFJMDLIQJMPP-GFCCVEGCSA-N 1 2 260.381 1.874 20 30 CDEDLO C#CCN(CC#N)Cc1c[nH+]cn1Cc1ccccc1 ZINC000491464500 332216967 /nfs/dbraw/zinc/21/69/67/332216967.db2.gz RGAVCJBXEPRUIO-UHFFFAOYSA-N 1 2 264.332 1.890 20 30 CDEDLO C#CCN(CC#CC)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000491484373 332219761 /nfs/dbraw/zinc/21/97/61/332219761.db2.gz IQIATVWZQXLIQM-UHFFFAOYSA-N 1 2 269.348 1.867 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](O)Cc1ccc(F)cc1 ZINC000491526505 332230777 /nfs/dbraw/zinc/23/07/77/332230777.db2.gz ZVEHAWXZQDHBDQ-CABCVRRESA-N 1 2 263.312 1.063 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](O)Cc1ccc(F)cc1 ZINC000491526505 332230779 /nfs/dbraw/zinc/23/07/79/332230779.db2.gz ZVEHAWXZQDHBDQ-CABCVRRESA-N 1 2 263.312 1.063 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000491752487 332328357 /nfs/dbraw/zinc/32/83/57/332328357.db2.gz ZOARQMKFGJNIBK-ZDUSSCGKSA-N 1 2 274.368 1.749 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccc(OC)cc1 ZINC000491804817 332358630 /nfs/dbraw/zinc/35/86/30/332358630.db2.gz NFJOMGRSTDSXTA-CQSZACIVSA-N 1 2 288.347 1.358 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1 ZINC000491804817 332358631 /nfs/dbraw/zinc/35/86/31/332358631.db2.gz NFJOMGRSTDSXTA-CQSZACIVSA-N 1 2 288.347 1.358 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)OCC ZINC000491810560 332363380 /nfs/dbraw/zinc/36/33/80/332363380.db2.gz IXOZIEVUHBQMKT-LBPRGKRZSA-N 1 2 288.347 1.755 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1C(=O)OCC ZINC000491810560 332363382 /nfs/dbraw/zinc/36/33/82/332363382.db2.gz IXOZIEVUHBQMKT-LBPRGKRZSA-N 1 2 288.347 1.755 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(OC(F)F)cn1 ZINC000517376541 333098366 /nfs/dbraw/zinc/09/83/66/333098366.db2.gz MEJTZQYKBMYJII-ZDUSSCGKSA-N 1 2 298.293 1.257 20 30 CDEDLO C=CC[N@@H+](CC(=O)NCC(=O)OC)Cc1ccccc1F ZINC000193427055 333249803 /nfs/dbraw/zinc/24/98/03/333249803.db2.gz KMUVAGYUEQVGNC-UHFFFAOYSA-N 1 2 294.326 1.103 20 30 CDEDLO C=CC[N@H+](CC(=O)NCC(=O)OC)Cc1ccccc1F ZINC000193427055 333249804 /nfs/dbraw/zinc/24/98/04/333249804.db2.gz KMUVAGYUEQVGNC-UHFFFAOYSA-N 1 2 294.326 1.103 20 30 CDEDLO C=CCSCCNC(=O)NCCn1cc[nH+]c1 ZINC000194615094 333273371 /nfs/dbraw/zinc/27/33/71/333273371.db2.gz PQEFLQCSCNAEJA-UHFFFAOYSA-N 1 2 254.359 1.102 20 30 CDEDLO CCC(CC)[C@H](C(=O)NC[C@H](C)C#N)[NH+]1CCOCC1 ZINC000173647556 335137423 /nfs/dbraw/zinc/13/74/23/335137423.db2.gz RHHZJDXBQFQPLN-TZMCWYRMSA-N 1 2 281.400 1.399 20 30 CDEDLO CCC(C#N)(CC)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000529366424 333483686 /nfs/dbraw/zinc/48/36/86/333483686.db2.gz OWXROBDRPMSZDI-KBPBESRZSA-N 1 2 293.411 1.638 20 30 CDEDLO N#CCC1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000540996080 333757447 /nfs/dbraw/zinc/75/74/47/333757447.db2.gz XPSMIUMRABNYID-UHFFFAOYSA-N 1 2 261.329 1.218 20 30 CDEDLO CCS(=O)(=O)NCCC[N@H+](CC#N)C1CCCC1 ZINC000133009583 334013225 /nfs/dbraw/zinc/01/32/25/334013225.db2.gz GVKCIWLDPIVTMI-UHFFFAOYSA-N 1 2 273.402 1.084 20 30 CDEDLO CCS(=O)(=O)NCCC[N@@H+](CC#N)C1CCCC1 ZINC000133009583 334013226 /nfs/dbraw/zinc/01/32/26/334013226.db2.gz GVKCIWLDPIVTMI-UHFFFAOYSA-N 1 2 273.402 1.084 20 30 CDEDLO C=CCOCC[NH2+][C@H](C(=O)OC)C1CCCCC1 ZINC000549930186 334209452 /nfs/dbraw/zinc/20/94/52/334209452.db2.gz OCGXTCXLCLQNIC-ZDUSSCGKSA-N 1 2 255.358 1.901 20 30 CDEDLO CN(C)c1nccc(C[NH2+]C[C@H](C#N)CCC#N)n1 ZINC000553813305 334398756 /nfs/dbraw/zinc/39/87/56/334398756.db2.gz GHTPGMVHBWKONC-NSHDSACASA-N 1 2 258.329 1.076 20 30 CDEDLO Cc1ccc(C)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000567995855 334782884 /nfs/dbraw/zinc/78/28/84/334782884.db2.gz XCSYSQGXUOWYLY-HNNXBMFYSA-N 1 2 259.353 1.877 20 30 CDEDLO COCc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000576827577 335252854 /nfs/dbraw/zinc/25/28/54/335252854.db2.gz VXUBYNXKYXFVOM-OAHLLOKOSA-N 1 2 275.352 1.407 20 30 CDEDLO C=CCCC(=O)NC[C@H]1CN(C(=O)CCC=C)CC[N@H+]1C ZINC000580574787 335287953 /nfs/dbraw/zinc/28/79/53/335287953.db2.gz KICBPSZDRQVOAE-AWEZNQCLSA-N 1 2 293.411 1.178 20 30 CDEDLO C=CCCC(=O)NC[C@H]1CN(C(=O)CCC=C)CC[N@@H+]1C ZINC000580574787 335287954 /nfs/dbraw/zinc/28/79/54/335287954.db2.gz KICBPSZDRQVOAE-AWEZNQCLSA-N 1 2 293.411 1.178 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)/C=C(\C)CC)C2)C1 ZINC001755401694 1160144808 /nfs/dbraw/zinc/14/48/08/1160144808.db2.gz UVIBONDBOJCPMQ-VMEIHUARSA-N 1 2 290.407 1.669 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)/C=C(\C)CC)C2)C1 ZINC001755401694 1160144812 /nfs/dbraw/zinc/14/48/12/1160144812.db2.gz UVIBONDBOJCPMQ-VMEIHUARSA-N 1 2 290.407 1.669 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000652081217 482438435 /nfs/dbraw/zinc/43/84/35/482438435.db2.gz IWCIZHZOJUHDEA-GFCCVEGCSA-N 1 2 291.395 1.370 20 30 CDEDLO COCC#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000677133375 482542733 /nfs/dbraw/zinc/54/27/33/482542733.db2.gz SPVFICWVMOXQIA-AWEZNQCLSA-N 1 2 276.336 1.010 20 30 CDEDLO COCC#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000677133375 482542735 /nfs/dbraw/zinc/54/27/35/482542735.db2.gz SPVFICWVMOXQIA-AWEZNQCLSA-N 1 2 276.336 1.010 20 30 CDEDLO COCC#CC[N@@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000678800898 482888337 /nfs/dbraw/zinc/88/83/37/482888337.db2.gz NDPVNAGZRFVGSQ-UHFFFAOYSA-N 1 2 278.318 1.595 20 30 CDEDLO COCC#CC[N@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000678800898 482888343 /nfs/dbraw/zinc/88/83/43/482888343.db2.gz NDPVNAGZRFVGSQ-UHFFFAOYSA-N 1 2 278.318 1.595 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#CC ZINC001032409200 1161331759 /nfs/dbraw/zinc/33/17/59/1161331759.db2.gz FTLSHDXRLPIJIE-JONQDZQNSA-N 1 2 288.391 1.276 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#CC ZINC001032409200 1161331762 /nfs/dbraw/zinc/33/17/62/1161331762.db2.gz FTLSHDXRLPIJIE-JONQDZQNSA-N 1 2 288.391 1.276 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(F)cccc1F ZINC001085943960 1161954079 /nfs/dbraw/zinc/95/40/79/1161954079.db2.gz WEHAPZSAULZJSG-LLVKDONJSA-N 1 2 278.302 1.744 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(F)cccc1F ZINC001085943960 1161954083 /nfs/dbraw/zinc/95/40/83/1161954083.db2.gz WEHAPZSAULZJSG-LLVKDONJSA-N 1 2 278.302 1.744 20 30 CDEDLO C=CC(C)(C)C(=O)N(C)C[C@H](C)[NH2+]Cc1cnsn1 ZINC001755598873 1186007207 /nfs/dbraw/zinc/00/72/07/1186007207.db2.gz BGTACGGHXMCWPN-JTQLQIEISA-N 1 2 282.413 1.687 20 30 CDEDLO C=C(C)CS(=O)(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000184388351 518623621 /nfs/dbraw/zinc/62/36/21/518623621.db2.gz ZJJJOCMEEUGOAJ-UHFFFAOYSA-N 1 2 297.424 1.923 20 30 CDEDLO Cc1ccnc(C)c1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329263617 534386865 /nfs/dbraw/zinc/38/68/65/534386865.db2.gz ZWICNLJBOCXOEN-QWHCGFSZSA-N 1 2 290.367 1.259 20 30 CDEDLO Cc1ccnc(C)c1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329263617 534386870 /nfs/dbraw/zinc/38/68/70/534386870.db2.gz ZWICNLJBOCXOEN-QWHCGFSZSA-N 1 2 290.367 1.259 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)C(C)(C)CC=C)CC1 ZINC001113390865 1162166735 /nfs/dbraw/zinc/16/67/35/1162166735.db2.gz XPWPJFWRUAKXPZ-UHFFFAOYSA-N 1 2 280.412 1.936 20 30 CDEDLO COCC[N@H+](Cc1cccc(C#N)c1F)[C@H](C)C(N)=O ZINC000340881189 523753463 /nfs/dbraw/zinc/75/34/63/523753463.db2.gz BJSBLVJFRCPVRV-SNVBAGLBSA-N 1 2 279.315 1.020 20 30 CDEDLO COCC[N@@H+](Cc1cccc(C#N)c1F)[C@H](C)C(N)=O ZINC000340881189 523753474 /nfs/dbraw/zinc/75/34/74/523753474.db2.gz BJSBLVJFRCPVRV-SNVBAGLBSA-N 1 2 279.315 1.020 20 30 CDEDLO N#Cc1cccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000155906592 526722245 /nfs/dbraw/zinc/72/22/45/526722245.db2.gz IDLNAQCUCCMTRU-GFCCVEGCSA-N 1 2 266.304 1.956 20 30 CDEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](CO)C2)cc1 ZINC000353610919 526869639 /nfs/dbraw/zinc/86/96/39/526869639.db2.gz BLKZKFKOMHKVHJ-OAHLLOKOSA-N 1 2 263.337 1.445 20 30 CDEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](CO)C2)cc1 ZINC000353610919 526869644 /nfs/dbraw/zinc/86/96/44/526869644.db2.gz BLKZKFKOMHKVHJ-OAHLLOKOSA-N 1 2 263.337 1.445 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000331539787 528695637 /nfs/dbraw/zinc/69/56/37/528695637.db2.gz VKHJRHMSIWLKEU-VNHYZAJKSA-N 1 2 293.411 1.494 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000331539787 528695642 /nfs/dbraw/zinc/69/56/42/528695642.db2.gz VKHJRHMSIWLKEU-VNHYZAJKSA-N 1 2 293.411 1.494 20 30 CDEDLO Cc1noc(C)c1NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000329309857 538557523 /nfs/dbraw/zinc/55/75/23/538557523.db2.gz PKGNWTQXJDUQFF-JTQLQIEISA-N 1 2 295.387 1.253 20 30 CDEDLO C[C@@H](NC(=O)N1CCn2c[nH+]cc2C1)c1cncc(F)c1 ZINC000329617941 538596961 /nfs/dbraw/zinc/59/69/61/538596961.db2.gz GABPNVNYNCZDRO-SNVBAGLBSA-N 1 2 289.314 1.908 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2ccnc2)cc1 ZINC000732056485 575077815 /nfs/dbraw/zinc/07/78/15/575077815.db2.gz SKGSRIKHSJQRCE-INIZCTEOSA-N 1 2 294.358 1.908 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2ccnc2)cc1 ZINC000732056485 575077817 /nfs/dbraw/zinc/07/78/17/575077817.db2.gz SKGSRIKHSJQRCE-INIZCTEOSA-N 1 2 294.358 1.908 20 30 CDEDLO N#CCCN1CC[NH+](C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000760942765 576527700 /nfs/dbraw/zinc/52/77/00/576527700.db2.gz DWHHWIWOXKWKDJ-CQSZACIVSA-N 1 2 295.333 1.529 20 30 CDEDLO C#CCOc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000741695577 576568359 /nfs/dbraw/zinc/56/83/59/576568359.db2.gz FDGWADGHUQTFBV-UHFFFAOYSA-N 1 2 281.315 1.592 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000769646681 575366980 /nfs/dbraw/zinc/36/69/80/575366980.db2.gz YMPGLZHHMVVWNO-LLVKDONJSA-N 1 2 254.293 1.361 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000769961615 575403738 /nfs/dbraw/zinc/40/37/38/575403738.db2.gz LPEOWQQIBQGSCY-LBPRGKRZSA-N 1 2 299.374 1.471 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000769961615 575403739 /nfs/dbraw/zinc/40/37/39/575403739.db2.gz LPEOWQQIBQGSCY-LBPRGKRZSA-N 1 2 299.374 1.471 20 30 CDEDLO C#Cc1ccc(C(=O)NCCCNc2cccc[nH+]2)nc1 ZINC000736196649 575586689 /nfs/dbraw/zinc/58/66/89/575586689.db2.gz VPTFKBBYZICFFQ-UHFFFAOYSA-N 1 2 280.331 1.690 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(CCC)nn1C ZINC000772897223 575766500 /nfs/dbraw/zinc/76/65/00/575766500.db2.gz ZLJLBVZFOFDYJN-ZDUSSCGKSA-N 1 2 274.368 1.409 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(CCC)nn1C ZINC000772897223 575766503 /nfs/dbraw/zinc/76/65/03/575766503.db2.gz ZLJLBVZFOFDYJN-ZDUSSCGKSA-N 1 2 274.368 1.409 20 30 CDEDLO Cc1cccn2cc(CC(=O)NC3=NO[C@H](C)C3)[nH+]c12 ZINC000765377632 576012585 /nfs/dbraw/zinc/01/25/85/576012585.db2.gz TUCNHHJUFZKNQT-SNVBAGLBSA-N 1 2 272.308 1.424 20 30 CDEDLO NC(=[NH+]OCCC1OCCCO1)c1ccc(F)cc1 ZINC000760433443 576484827 /nfs/dbraw/zinc/48/48/27/576484827.db2.gz RDOIBQLBDQNDRE-UHFFFAOYSA-N 1 2 268.288 1.616 20 30 CDEDLO CC(CCn1cccn1)N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761838855 576596810 /nfs/dbraw/zinc/59/68/10/576596810.db2.gz MSTVUWXMTMHSNS-UHFFFAOYSA-N 1 2 296.338 1.737 20 30 CDEDLO C#CCCc1noc(Cc2cn3ccccc3[nH+]2)n1 ZINC000762010876 576612373 /nfs/dbraw/zinc/61/23/73/576612373.db2.gz CMMVWDGUNTWLGQ-UHFFFAOYSA-N 1 2 252.277 1.874 20 30 CDEDLO NC(=[NH+]OC[C@H]1CC2(CC2)C(=O)O1)c1ccc(F)cc1 ZINC000762192360 576627807 /nfs/dbraw/zinc/62/78/07/576627807.db2.gz HWWZFIFHOSSBLQ-LLVKDONJSA-N 1 2 278.283 1.558 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)CSCCC)CC1 ZINC000744371370 576677700 /nfs/dbraw/zinc/67/77/00/576677700.db2.gz WBSSHQKSXVBZTH-UHFFFAOYSA-N 1 2 254.399 1.297 20 30 CDEDLO CCN(CCC#N)C(=O)COC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000745086902 576714754 /nfs/dbraw/zinc/71/47/54/576714754.db2.gz PBOBZWQWKFDIPY-ZDUSSCGKSA-N 1 2 295.383 1.166 20 30 CDEDLO CCN(CCC#N)C(=O)COC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000745086902 576714755 /nfs/dbraw/zinc/71/47/55/576714755.db2.gz PBOBZWQWKFDIPY-ZDUSSCGKSA-N 1 2 295.383 1.166 20 30 CDEDLO C[N@@H+](Cc1nnc2n1CCC2)C[C@H](O)c1ccc(C#N)cc1 ZINC000763413949 576735824 /nfs/dbraw/zinc/73/58/24/576735824.db2.gz QJISFFXFXDAUMH-AWEZNQCLSA-N 1 2 297.362 1.261 20 30 CDEDLO C[N@H+](Cc1nnc2n1CCC2)C[C@H](O)c1ccc(C#N)cc1 ZINC000763413949 576735825 /nfs/dbraw/zinc/73/58/25/576735825.db2.gz QJISFFXFXDAUMH-AWEZNQCLSA-N 1 2 297.362 1.261 20 30 CDEDLO C#CCCCNC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000746773347 576790928 /nfs/dbraw/zinc/79/09/28/576790928.db2.gz UVBSHIZISBBPPW-UHFFFAOYSA-N 1 2 284.363 1.898 20 30 CDEDLO Oc1c(F)cc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc1F ZINC000753931250 576866622 /nfs/dbraw/zinc/86/66/22/576866622.db2.gz YADWTHWEDZVVMM-TXEJJXNPSA-N 1 2 294.305 1.864 20 30 CDEDLO COCCN(CCC#N)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000748318935 576905336 /nfs/dbraw/zinc/90/53/36/576905336.db2.gz COYFFYXVZIJLKV-UHFFFAOYSA-N 1 2 299.334 1.270 20 30 CDEDLO CCCCCCCCNC(=O)NCC[NH+]1CCOCC1 ZINC000754683477 576910525 /nfs/dbraw/zinc/91/05/25/576910525.db2.gz BSKVRLWLCRNODM-UHFFFAOYSA-N 1 2 285.432 1.978 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(F)ccc1O ZINC000748858579 576929645 /nfs/dbraw/zinc/92/96/45/576929645.db2.gz NKMAALQOEPCHIQ-LBPRGKRZSA-N 1 2 262.284 1.567 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(F)ccc1O ZINC000748858579 576929646 /nfs/dbraw/zinc/92/96/46/576929646.db2.gz NKMAALQOEPCHIQ-LBPRGKRZSA-N 1 2 262.284 1.567 20 30 CDEDLO C=CCNC(=S)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000759137411 577155108 /nfs/dbraw/zinc/15/51/08/577155108.db2.gz MXQVILGRDGCRGT-NWDGAFQWSA-N 1 2 264.398 1.827 20 30 CDEDLO CC(=NN1CC[NH+](C)CC1)c1ccc(F)cc1N(C)C ZINC000759179524 577157803 /nfs/dbraw/zinc/15/78/03/577157803.db2.gz OTGMRDDYGXAXCS-UHFFFAOYSA-N 1 2 278.375 1.863 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000822806441 599385768 /nfs/dbraw/zinc/38/57/68/599385768.db2.gz MUJUCYQLMWSKCB-JTQLQIEISA-N 1 2 299.313 1.539 20 30 CDEDLO C=C(Cl)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000819729822 607481245 /nfs/dbraw/zinc/48/12/45/607481245.db2.gz NGHBEHJDUIXXFD-UHFFFAOYSA-N 1 2 267.695 1.848 20 30 CDEDLO O=C(C=Cc1[nH]cc[nH+]1)c1ccc(-c2nn[nH]n2)cc1F ZINC000826402937 609273001 /nfs/dbraw/zinc/27/30/01/609273001.db2.gz GJDPYEFYFWVWNF-ARJAWSKDSA-N 1 2 284.254 1.625 20 30 CDEDLO C#CCCCCNc1[nH+]ccc(C)c1-c1nn[nH]n1 ZINC000823840729 609574680 /nfs/dbraw/zinc/57/46/80/609574680.db2.gz CONSPJLESSCGGU-UHFFFAOYSA-N 1 2 256.313 1.786 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnn(CC)c2)C1 ZINC000949803977 612993101 /nfs/dbraw/zinc/99/31/01/612993101.db2.gz NQKFHHUPLSICQH-UHFFFAOYSA-N 1 2 274.368 1.073 20 30 CDEDLO C#CCN1CC(N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000950614820 613112374 /nfs/dbraw/zinc/11/23/74/613112374.db2.gz JVWFSJMEIFFHHD-UHFFFAOYSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2occ3c2CCC3)CC1 ZINC000981691625 613160742 /nfs/dbraw/zinc/16/07/42/613160742.db2.gz IZWQCBCDZRQLLP-UHFFFAOYSA-N 1 2 272.348 1.549 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2occ3c2CCC3)CC1 ZINC000981691625 613160744 /nfs/dbraw/zinc/16/07/44/613160744.db2.gz IZWQCBCDZRQLLP-UHFFFAOYSA-N 1 2 272.348 1.549 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2OCC)C1 ZINC000949716472 613295012 /nfs/dbraw/zinc/29/50/12/613295012.db2.gz VFTUXGHNZMRSRW-ZIAGYGMSSA-N 1 2 266.385 1.520 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnc3[nH]c(C)nc3c2)CC1 ZINC000948686422 613321639 /nfs/dbraw/zinc/32/16/39/613321639.db2.gz CNHXUWIXNHUJDE-UHFFFAOYSA-N 1 2 299.378 1.600 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2nn(C)c(C)c2Cl)CC1 ZINC000950967203 613322237 /nfs/dbraw/zinc/32/22/37/613322237.db2.gz FUPZAOXJFLGGFH-UHFFFAOYSA-N 1 2 296.802 1.716 20 30 CDEDLO C=C(Cl)CN1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000957509553 613374641 /nfs/dbraw/zinc/37/46/41/613374641.db2.gz YUPDJPCOTWUPQN-UHFFFAOYSA-N 1 2 296.802 1.249 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC2)C1 ZINC000964604629 613375890 /nfs/dbraw/zinc/37/58/90/613375890.db2.gz WPWRFFUTIJNHSJ-BXKDBHETSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC2)C1 ZINC000964604629 613375891 /nfs/dbraw/zinc/37/58/91/613375891.db2.gz WPWRFFUTIJNHSJ-BXKDBHETSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC000969831017 613503353 /nfs/dbraw/zinc/50/33/53/613503353.db2.gz YXGJDHJIAYFWIU-IUODEOHRSA-N 1 2 292.383 1.671 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CC2CC(C)(C)C2)CC1 ZINC000949817042 613561676 /nfs/dbraw/zinc/56/16/76/613561676.db2.gz KOEHSDOHVKHQDE-UHFFFAOYSA-N 1 2 262.397 1.980 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2cc(CC)c[nH]c2=O)CC1 ZINC000956986053 613567489 /nfs/dbraw/zinc/56/74/89/613567489.db2.gz DKRAADBUSPNBSR-UHFFFAOYSA-N 1 2 287.363 1.131 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCc3n[nH]cc3C2)C1 ZINC000957127334 613654078 /nfs/dbraw/zinc/65/40/78/613654078.db2.gz LEQVQOGTIHWGGZ-GFCCVEGCSA-N 1 2 288.395 1.233 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCCn3nccc32)C1 ZINC000950649541 613655507 /nfs/dbraw/zinc/65/55/07/613655507.db2.gz QBHFLBUOUYKMOS-AWEZNQCLSA-N 1 2 288.395 1.479 20 30 CDEDLO C=CC[NH+]1CC([C@H](C)NC(=O)c2cccc3nc[nH]c32)C1 ZINC000970642653 613671900 /nfs/dbraw/zinc/67/19/00/613671900.db2.gz HCDNVXODZWOJJR-NSHDSACASA-N 1 2 284.363 1.799 20 30 CDEDLO C=CC[N@H+]1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000981207748 613690577 /nfs/dbraw/zinc/69/05/77/613690577.db2.gz WHVSITQDGISJPL-SECBINFHSA-N 1 2 268.254 1.607 20 30 CDEDLO C=CC[N@@H+]1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000981207748 613690579 /nfs/dbraw/zinc/69/05/79/613690579.db2.gz WHVSITQDGISJPL-SECBINFHSA-N 1 2 268.254 1.607 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CC[C@H]2CC[C@H](C)O2)CC1 ZINC000957727821 613707426 /nfs/dbraw/zinc/70/74/26/613707426.db2.gz PVGIXCKTAMQLTF-UONOGXRCSA-N 1 2 266.385 1.664 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2CCC[C@@H](OC)C2)CC1 ZINC000948689825 613709578 /nfs/dbraw/zinc/70/95/78/613709578.db2.gz CJFGLSYRKUMVTK-LSDHHAIUSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CC1 ZINC000951381014 613713830 /nfs/dbraw/zinc/71/38/30/613713830.db2.gz MYKXJDRETIRSSC-IXDOHACOSA-N 1 2 282.387 1.903 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c(C)ccnc2OCC)CC1 ZINC000949468692 613714152 /nfs/dbraw/zinc/71/41/52/613714152.db2.gz RFHVHBUJWPKOFJ-UHFFFAOYSA-N 1 2 289.379 1.733 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3c(c2)CCOC3)CC1 ZINC000949247082 613716327 /nfs/dbraw/zinc/71/63/27/613716327.db2.gz WDDKQCMWGLFTBS-UHFFFAOYSA-N 1 2 286.375 1.703 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]c(=O)c3ccccc23)CC1 ZINC000951206339 613718007 /nfs/dbraw/zinc/71/80/07/613718007.db2.gz FOUURSSDMGMRTF-UHFFFAOYSA-N 1 2 297.358 1.884 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](F)C(C)C)C2)C1 ZINC000972509254 613723732 /nfs/dbraw/zinc/72/37/32/613723732.db2.gz CDGHQWLSBXEZSX-HIFRSBDPSA-N 1 2 284.375 1.470 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](F)C(C)C)C2)C1 ZINC000972509254 613723733 /nfs/dbraw/zinc/72/37/33/613723733.db2.gz CDGHQWLSBXEZSX-HIFRSBDPSA-N 1 2 284.375 1.470 20 30 CDEDLO C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC000968188016 613732390 /nfs/dbraw/zinc/73/23/90/613732390.db2.gz AQKYPJSGONNCMX-KOLCDFICSA-N 1 2 266.320 1.175 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC000968188016 613732391 /nfs/dbraw/zinc/73/23/91/613732391.db2.gz AQKYPJSGONNCMX-KOLCDFICSA-N 1 2 266.320 1.175 20 30 CDEDLO Cc1cc(C#N)ccc1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000891585126 617491699 /nfs/dbraw/zinc/49/16/99/617491699.db2.gz XXRAMHVETRQDIL-UHFFFAOYSA-N 1 2 298.390 1.267 20 30 CDEDLO Cc1coc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1 ZINC000894095164 618388755 /nfs/dbraw/zinc/38/87/55/618388755.db2.gz PKYUBIIJKKIGJJ-ZDUSSCGKSA-N 1 2 297.362 1.960 20 30 CDEDLO Cc1coc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1 ZINC000894095164 618388765 /nfs/dbraw/zinc/38/87/65/618388765.db2.gz PKYUBIIJKKIGJJ-ZDUSSCGKSA-N 1 2 297.362 1.960 20 30 CDEDLO C#CC[C@H]1CCCN(c2cc(N[C@@H](CC)CO)[nH+]cn2)C1 ZINC000894348428 618808074 /nfs/dbraw/zinc/80/80/74/618808074.db2.gz BBRYDHUDMURUDS-KBPBESRZSA-N 1 2 288.395 1.899 20 30 CDEDLO C#CC[C@H]1CCCN(c2cc(N[C@@H](CC)CO)nc[nH+]2)C1 ZINC000894348428 618808077 /nfs/dbraw/zinc/80/80/77/618808077.db2.gz BBRYDHUDMURUDS-KBPBESRZSA-N 1 2 288.395 1.899 20 30 CDEDLO C#C[C@@H]1CCCN(c2cc(N[C@@H](CC)CO)[nH+]cn2)C1 ZINC000894427508 618881337 /nfs/dbraw/zinc/88/13/37/618881337.db2.gz KNZMIPMBPSHRMD-OLZOCXBDSA-N 1 2 274.368 1.509 20 30 CDEDLO C#C[C@@H]1CCCN(c2cc(N[C@@H](CC)CO)nc[nH+]2)C1 ZINC000894427508 618881340 /nfs/dbraw/zinc/88/13/40/618881340.db2.gz KNZMIPMBPSHRMD-OLZOCXBDSA-N 1 2 274.368 1.509 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2ccsc2Cl)CCCN1O ZINC000895159952 619377169 /nfs/dbraw/zinc/37/71/69/619377169.db2.gz JJMBODQDJLGTDP-QMMMGPOBSA-N 1 2 260.746 1.871 20 30 CDEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2cnccn2)s1 ZINC000794702383 619432908 /nfs/dbraw/zinc/43/29/08/619432908.db2.gz PLROLVSGHLUZBJ-ONEGZZNKSA-N 1 2 274.349 1.891 20 30 CDEDLO C[C@@H](CC#N)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000895982602 619934435 /nfs/dbraw/zinc/93/44/35/619934435.db2.gz MXLXAPNHPXOPCT-CABZTGNLSA-N 1 2 261.329 1.208 20 30 CDEDLO C[C@@H](CC#N)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000895982602 619934436 /nfs/dbraw/zinc/93/44/36/619934436.db2.gz MXLXAPNHPXOPCT-CABZTGNLSA-N 1 2 261.329 1.208 20 30 CDEDLO C[C@H]([NH2+]CC(=O)NCCC#N)c1c(F)cncc1F ZINC000796637638 620345094 /nfs/dbraw/zinc/34/50/94/620345094.db2.gz FOHSGCOXQRTBNR-QMMMGPOBSA-N 1 2 268.267 1.040 20 30 CDEDLO COc1cc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)on1 ZINC000902303802 624655261 /nfs/dbraw/zinc/65/52/61/624655261.db2.gz JKIAVTMGYFTSBZ-UHFFFAOYSA-N 1 2 289.291 1.455 20 30 CDEDLO Cc1ccnc(SC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000905975520 627064743 /nfs/dbraw/zinc/06/47/43/627064743.db2.gz CYIWXZJTIKTUBT-GFCCVEGCSA-N 1 2 265.382 1.689 20 30 CDEDLO Cc1ccnc(SC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000905975520 627064748 /nfs/dbraw/zinc/06/47/48/627064748.db2.gz CYIWXZJTIKTUBT-GFCCVEGCSA-N 1 2 265.382 1.689 20 30 CDEDLO N#C[C@@]1(NC(=O)Cc2c[nH]c[nH+]2)CCc2ccccc2C1 ZINC000907450550 627678451 /nfs/dbraw/zinc/67/84/51/627678451.db2.gz JYALBJZNYHFZGM-MRXNPFEDSA-N 1 2 280.331 1.520 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000788037875 631694407 /nfs/dbraw/zinc/69/44/07/631694407.db2.gz DIWVALZTBBEOQY-STQMWFEESA-N 1 2 272.352 1.323 20 30 CDEDLO Cc1cc(CNS(=O)(=O)CC(C)(C)C#N)cc(C)[nH+]1 ZINC000916430646 631989301 /nfs/dbraw/zinc/98/93/01/631989301.db2.gz MDGIVAXHNHICSC-UHFFFAOYSA-N 1 2 281.381 1.668 20 30 CDEDLO Fc1cncnc1N=NCc1cccc2[nH+]ccn21 ZINC000793218494 1162401625 /nfs/dbraw/zinc/40/16/25/1162401625.db2.gz WHIZRKUOVWJSJO-UHFFFAOYSA-N 1 2 256.244 1.709 20 30 CDEDLO CCOc1cccc(C=NNc2[nH+]ccn2C)c1O ZINC000790300235 1162502753 /nfs/dbraw/zinc/50/27/53/1162502753.db2.gz PTKPQTLNLVKKCN-UHFFFAOYSA-N 1 2 260.297 1.970 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2c[nH]c3cc(C)ccc23)C1 ZINC001031093147 1161134725 /nfs/dbraw/zinc/13/47/25/1161134725.db2.gz UZHNMVWCCGLIMC-UHFFFAOYSA-N 1 2 295.386 1.843 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccnnc2)[C@@H]1C ZINC000993865286 1161188970 /nfs/dbraw/zinc/18/89/70/1161188970.db2.gz VEIMBWTWWHMCOO-AAEUAGOBSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccnnc2)[C@@H]1C ZINC000993865286 1161188973 /nfs/dbraw/zinc/18/89/73/1161188973.db2.gz VEIMBWTWWHMCOO-AAEUAGOBSA-N 1 2 294.786 1.812 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCC(C)(C)C)CC1 ZINC001113446742 1162177685 /nfs/dbraw/zinc/17/76/85/1162177685.db2.gz JEFGHBRFXNKJKV-UHFFFAOYSA-N 1 2 250.386 1.980 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001133569960 1163790098 /nfs/dbraw/zinc/79/00/98/1163790098.db2.gz GUMYNRLPQHXLHM-UHFFFAOYSA-N 1 2 290.367 1.509 20 30 CDEDLO C=CCOCC(=O)N1CC[NH2+][C@@H](c2cccc(OC)c2)C1 ZINC000870149824 1165143732 /nfs/dbraw/zinc/14/37/32/1165143732.db2.gz NGUZYIINSFDMGQ-OAHLLOKOSA-N 1 2 290.363 1.371 20 30 CDEDLO C#CC[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C(=O)OC ZINC000877584323 1166062936 /nfs/dbraw/zinc/06/29/36/1166062936.db2.gz ZXMSJDAHCRWFBB-DGAVXFQQSA-N 1 2 277.364 1.489 20 30 CDEDLO N#Cc1cc(NC(=O)[C@@H]2COCC[NH2+]2)ccc1C1CC1 ZINC001574245359 1170928280 /nfs/dbraw/zinc/92/82/80/1170928280.db2.gz NPZFAMQVRUCNQM-AWEZNQCLSA-N 1 2 271.320 1.363 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001588349798 1173050203 /nfs/dbraw/zinc/05/02/03/1173050203.db2.gz MBXSNMFDSPBHMZ-UHFFFAOYSA-N 1 2 269.283 1.074 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C1=CCOCC1 ZINC001690936749 1175617026 /nfs/dbraw/zinc/61/70/26/1175617026.db2.gz NSIVCLUAZIFBDC-UHFFFAOYSA-N 1 2 258.749 1.134 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C1=CCOCC1 ZINC001690936749 1175617038 /nfs/dbraw/zinc/61/70/38/1175617038.db2.gz NSIVCLUAZIFBDC-UHFFFAOYSA-N 1 2 258.749 1.134 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC1C[NH+](Cc2cncn2C)C1 ZINC001753409606 1184531516 /nfs/dbraw/zinc/53/15/16/1184531516.db2.gz UCQUDKYJWDPLAO-MRXNPFEDSA-N 1 2 290.411 1.570 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCCC[N@@H+](C)Cc1cnon1 ZINC001752040208 1184811225 /nfs/dbraw/zinc/81/12/25/1184811225.db2.gz VEAZMFQHFFCLGY-UHFFFAOYSA-N 1 2 280.372 1.610 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCCC[N@H+](C)Cc1cnon1 ZINC001752040208 1184811226 /nfs/dbraw/zinc/81/12/26/1184811226.db2.gz VEAZMFQHFFCLGY-UHFFFAOYSA-N 1 2 280.372 1.610 20 30 CDEDLO CC#CCN1CC[NH+](CCNC(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC001752374308 1184853570 /nfs/dbraw/zinc/85/35/70/1184853570.db2.gz DAOTYNPMFQWANO-CVEARBPZSA-N 1 2 291.439 1.036 20 30 CDEDLO C=CCC1(C(=O)NCC[NH+]2CCN(CCF)CC2)CCC1 ZINC001752373549 1184854606 /nfs/dbraw/zinc/85/46/06/1184854606.db2.gz TWQIMFVAUFAXBZ-UHFFFAOYSA-N 1 2 297.418 1.436 20 30 CDEDLO C=CCC1(C(=O)NCCN2CC[NH+](CCF)CC2)CCC1 ZINC001752373549 1184854611 /nfs/dbraw/zinc/85/46/11/1184854611.db2.gz TWQIMFVAUFAXBZ-UHFFFAOYSA-N 1 2 297.418 1.436 20 30 CDEDLO CC#CC[NH2+][C@@H](CNC(=O)C(F)C(F)(F)F)C1CC1 ZINC001752462328 1184864589 /nfs/dbraw/zinc/86/45/89/1184864589.db2.gz CXBQRKLNMWRXGX-VHSXEESVSA-N 1 2 280.265 1.395 20 30 CDEDLO CC#CC[NH2+][C@@H](CNC(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC001752462328 1184864594 /nfs/dbraw/zinc/86/45/94/1184864594.db2.gz CXBQRKLNMWRXGX-VHSXEESVSA-N 1 2 280.265 1.395 20 30 CDEDLO CC#CC[NH2+][C@H](CNC(=O)C(F)C(F)(F)F)C1CC1 ZINC001752462329 1184865328 /nfs/dbraw/zinc/86/53/28/1184865328.db2.gz CXBQRKLNMWRXGX-ZJUUUORDSA-N 1 2 280.265 1.395 20 30 CDEDLO CC#CC[NH2+][C@H](CNC(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC001752462329 1184865336 /nfs/dbraw/zinc/86/53/36/1184865336.db2.gz CXBQRKLNMWRXGX-ZJUUUORDSA-N 1 2 280.265 1.395 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ncc[nH]1)C1CC1 ZINC001753152907 1185089069 /nfs/dbraw/zinc/08/90/69/1185089069.db2.gz IWECRRAXJYBMET-UHFFFAOYSA-N 1 2 268.748 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ncc[nH]1)C1CC1 ZINC001753152907 1185089072 /nfs/dbraw/zinc/08/90/72/1185089072.db2.gz IWECRRAXJYBMET-UHFFFAOYSA-N 1 2 268.748 1.356 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2cscn2)C1 ZINC001753654588 1185288998 /nfs/dbraw/zinc/28/89/98/1185288998.db2.gz ZKOJARRNOAXQIW-CYBMUJFWSA-N 1 2 295.408 1.079 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)Cc2cscn2)C1 ZINC001753654588 1185289000 /nfs/dbraw/zinc/28/90/00/1185289000.db2.gz ZKOJARRNOAXQIW-CYBMUJFWSA-N 1 2 295.408 1.079 20 30 CDEDLO C=CCC(C)(C)C(=O)NC[C@H]1C[N@H+](CCOCC)CCO1 ZINC001753653684 1185289539 /nfs/dbraw/zinc/28/95/39/1185289539.db2.gz GBYLYVNPYIZOQG-AWEZNQCLSA-N 1 2 298.427 1.442 20 30 CDEDLO C=CCC(C)(C)C(=O)NC[C@H]1C[N@@H+](CCOCC)CCO1 ZINC001753653684 1185289547 /nfs/dbraw/zinc/28/95/47/1185289547.db2.gz GBYLYVNPYIZOQG-AWEZNQCLSA-N 1 2 298.427 1.442 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NC/C=C/C[NH2+]Cc1nnc(C)o1 ZINC001754166372 1185490799 /nfs/dbraw/zinc/49/07/99/1185490799.db2.gz KMNZLWDCBXKMDW-KIUWMYQTSA-N 1 2 292.383 1.742 20 30 CDEDLO CC(C)C#CC(=O)NC[C@@H]1CC[N@@H+]1C/C=C/Cl ZINC001754483251 1185637484 /nfs/dbraw/zinc/63/74/84/1185637484.db2.gz HHAFDRJWOPXGCM-QBODLPLBSA-N 1 2 254.761 1.589 20 30 CDEDLO CC(C)C#CC(=O)NC[C@@H]1CC[N@H+]1C/C=C/Cl ZINC001754483251 1185637487 /nfs/dbraw/zinc/63/74/87/1185637487.db2.gz HHAFDRJWOPXGCM-QBODLPLBSA-N 1 2 254.761 1.589 20 30 CDEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CCN1Cc1c[nH+]cn1C ZINC001754484866 1185638347 /nfs/dbraw/zinc/63/83/47/1185638347.db2.gz JVGNXOLCRCGAQH-ZDUSSCGKSA-N 1 2 290.411 1.713 20 30 CDEDLO CC#CCCCC(=O)NC[C@H]1CC[N@@H+]1Cc1ocnc1C ZINC001754491946 1185640028 /nfs/dbraw/zinc/64/00/28/1185640028.db2.gz SEUVFMVRSGRGGQ-CQSZACIVSA-N 1 2 289.379 1.867 20 30 CDEDLO CC#CCCCC(=O)NC[C@H]1CC[N@H+]1Cc1ocnc1C ZINC001754491946 1185640032 /nfs/dbraw/zinc/64/00/32/1185640032.db2.gz SEUVFMVRSGRGGQ-CQSZACIVSA-N 1 2 289.379 1.867 20 30 CDEDLO N#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001754547687 1185664583 /nfs/dbraw/zinc/66/45/83/1185664583.db2.gz MYUHWLAEDKSULG-HNNXBMFYSA-N 1 2 291.395 1.392 20 30 CDEDLO N#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001754547687 1185664589 /nfs/dbraw/zinc/66/45/89/1185664589.db2.gz MYUHWLAEDKSULG-HNNXBMFYSA-N 1 2 291.395 1.392 20 30 CDEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2ccc(C(F)F)o2)C1 ZINC001754776575 1185728641 /nfs/dbraw/zinc/72/86/41/1185728641.db2.gz GVEXNDLSGMQNQF-UHFFFAOYSA-N 1 2 298.289 1.017 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C1(C)CC=CC1 ZINC001754971649 1185774843 /nfs/dbraw/zinc/77/48/43/1185774843.db2.gz RSELHNGLPCCILY-AWEZNQCLSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C1(C)CC=CC1 ZINC001754971649 1185774848 /nfs/dbraw/zinc/77/48/48/1185774848.db2.gz RSELHNGLPCCILY-AWEZNQCLSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CCCCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2csnn2)C1 ZINC001755113033 1185819745 /nfs/dbraw/zinc/81/97/45/1185819745.db2.gz DDOPVAHAWAVJRM-WCQYABFASA-N 1 2 294.424 1.831 20 30 CDEDLO CCc1noc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C#CC(C)C)n1 ZINC001755251227 1185877178 /nfs/dbraw/zinc/87/71/78/1185877178.db2.gz CTEXOTFROISIRJ-VXGBXAGGSA-N 1 2 292.383 1.274 20 30 CDEDLO N#CCOc1ccc(C[N@H+]2CC[C@](O)(CF)[C@@H](F)C2)cc1 ZINC001137115408 1165967735 /nfs/dbraw/zinc/96/77/35/1165967735.db2.gz MHWFGFOIKHBVSR-GJZGRUSLSA-N 1 2 296.317 1.833 20 30 CDEDLO N#CCOc1ccc(C[N@@H+]2CC[C@](O)(CF)[C@@H](F)C2)cc1 ZINC001137115408 1165967742 /nfs/dbraw/zinc/96/77/42/1165967742.db2.gz MHWFGFOIKHBVSR-GJZGRUSLSA-N 1 2 296.317 1.833 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2cccc(F)c2N)CC1 ZINC000877566287 1166059920 /nfs/dbraw/zinc/05/99/20/1166059920.db2.gz GEKVEZJLGWWYIX-UHFFFAOYSA-N 1 2 291.326 1.687 20 30 CDEDLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@@H+](CCOCCC#N)C1 ZINC000879767345 1166410177 /nfs/dbraw/zinc/41/01/77/1166410177.db2.gz WVAJZAJMGDDUJV-LLVKDONJSA-N 1 2 293.289 1.060 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)nc3onc(C)c32)C1 ZINC001030760710 912695708 /nfs/dbraw/zinc/69/57/08/912695708.db2.gz NFDMGLPWABFWCU-UHFFFAOYSA-N 1 2 298.346 1.277 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(Cl)[nH]2)C1 ZINC001030910707 913087140 /nfs/dbraw/zinc/08/71/40/913087140.db2.gz NDVQGRLBIYYCTF-UHFFFAOYSA-N 1 2 253.733 1.658 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccn(C)c2CC)C1 ZINC001030958294 913286878 /nfs/dbraw/zinc/28/68/78/913286878.db2.gz HRYULWCLVSATIF-UHFFFAOYSA-N 1 2 259.353 1.025 20 30 CDEDLO COc1ccc(NC(=O)Cc2[nH]cc[nH+]2)cc1C#N ZINC001174755782 913335198 /nfs/dbraw/zinc/33/51/98/913335198.db2.gz XYATYJKGRKPXAF-UHFFFAOYSA-N 1 2 256.265 1.471 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(F)c(OC)c2)C1 ZINC001030995074 913352823 /nfs/dbraw/zinc/35/28/23/913352823.db2.gz UHWJQXHNSCFWLS-UHFFFAOYSA-N 1 2 278.327 1.824 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccccc2COC)C1 ZINC001031089759 913579577 /nfs/dbraw/zinc/57/95/77/913579577.db2.gz GVFSFPDZFKEKPM-UHFFFAOYSA-N 1 2 288.391 1.752 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C1=COCCC1 ZINC001266261917 893971109 /nfs/dbraw/zinc/97/11/09/893971109.db2.gz DMZLKVVGWREFDR-UHFFFAOYSA-N 1 2 258.749 1.481 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C1=COCCC1 ZINC001266261917 893971111 /nfs/dbraw/zinc/97/11/11/893971111.db2.gz DMZLKVVGWREFDR-UHFFFAOYSA-N 1 2 258.749 1.481 20 30 CDEDLO C=C(Br)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000070557906 895238733 /nfs/dbraw/zinc/23/87/33/895238733.db2.gz INGICDWMUQSKAT-UHFFFAOYSA-N 1 2 277.206 1.284 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC001207109223 895583051 /nfs/dbraw/zinc/58/30/51/895583051.db2.gz VHCGSWAZYRUWDT-UHFFFAOYSA-N 1 2 286.335 1.176 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)c(NC(C)=O)c1 ZINC001038287144 897701168 /nfs/dbraw/zinc/70/11/68/897701168.db2.gz JUAIFAPMILTRBT-OAHLLOKOSA-N 1 2 299.374 1.391 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)c(NC(C)=O)c1 ZINC001038287144 897701178 /nfs/dbraw/zinc/70/11/78/897701178.db2.gz JUAIFAPMILTRBT-OAHLLOKOSA-N 1 2 299.374 1.391 20 30 CDEDLO CCN(CCNc1cc[nH+]c(C)n1)C(=O)C#CC1CC1 ZINC001106751566 914265241 /nfs/dbraw/zinc/26/52/41/914265241.db2.gz CKHSYVYSBDBXLS-UHFFFAOYSA-N 1 2 272.352 1.459 20 30 CDEDLO C[C@@H](CNc1ccc(C#N)nc1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001104825216 899548720 /nfs/dbraw/zinc/54/87/20/899548720.db2.gz BCMDHGCFMWVUIQ-NSHDSACASA-N 1 2 298.350 1.178 20 30 CDEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)C(F)F ZINC001006503312 899969100 /nfs/dbraw/zinc/96/91/00/899969100.db2.gz MNXYMPRUSSLUJY-AWEZNQCLSA-N 1 2 292.329 1.884 20 30 CDEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)C(F)F ZINC001006503312 899969110 /nfs/dbraw/zinc/96/91/10/899969110.db2.gz MNXYMPRUSSLUJY-AWEZNQCLSA-N 1 2 292.329 1.884 20 30 CDEDLO C#CCCCCC(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001125935376 900047488 /nfs/dbraw/zinc/04/74/88/900047488.db2.gz YZGYKVDDXJFFCQ-UHFFFAOYSA-N 1 2 290.367 1.346 20 30 CDEDLO C#CCCCCC(=O)NCC[NH2+][C@@H](C)c1nnc(CC)o1 ZINC001125946050 900173144 /nfs/dbraw/zinc/17/31/44/900173144.db2.gz RJBGVMLXFLCOJE-LBPRGKRZSA-N 1 2 292.383 1.592 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)/C(C)=C/CC)C[C@@H]21 ZINC001176943857 914418177 /nfs/dbraw/zinc/41/81/77/914418177.db2.gz QKHKYKYXEUHFLA-DMNRVOQQSA-N 1 2 290.407 1.668 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)/C(C)=C/CC)C[C@@H]21 ZINC001176943857 914418180 /nfs/dbraw/zinc/41/81/80/914418180.db2.gz QKHKYKYXEUHFLA-DMNRVOQQSA-N 1 2 290.407 1.668 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(N2CC=CC2)c1 ZINC001038755400 900642965 /nfs/dbraw/zinc/64/29/65/900642965.db2.gz XNQKUOWSKIQNLE-QGZVFWFLSA-N 1 2 295.386 1.500 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(N2CC=CC2)c1 ZINC001038755400 900642973 /nfs/dbraw/zinc/64/29/73/900642973.db2.gz XNQKUOWSKIQNLE-QGZVFWFLSA-N 1 2 295.386 1.500 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCCF)C[C@@H]21 ZINC001177066864 914473166 /nfs/dbraw/zinc/47/31/66/914473166.db2.gz HBXPFQIZDDJLFE-KBPBESRZSA-N 1 2 282.359 1.061 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCCF)C[C@@H]21 ZINC001177066864 914473170 /nfs/dbraw/zinc/47/31/70/914473170.db2.gz HBXPFQIZDDJLFE-KBPBESRZSA-N 1 2 282.359 1.061 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1c(C)cnn1C ZINC001028081077 901281936 /nfs/dbraw/zinc/28/19/36/901281936.db2.gz LQOHQOIGJRSHCM-GFCCVEGCSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)cnn1C ZINC001028081077 901281947 /nfs/dbraw/zinc/28/19/47/901281947.db2.gz LQOHQOIGJRSHCM-GFCCVEGCSA-N 1 2 296.802 1.675 20 30 CDEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(C)c(C#N)c2)CCN1C ZINC001139726083 901500135 /nfs/dbraw/zinc/50/01/35/901500135.db2.gz QJYVCGIITDEVNL-OAHLLOKOSA-N 1 2 287.363 1.156 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C)c(C#N)c2)CCN1C ZINC001139726083 901500145 /nfs/dbraw/zinc/50/01/45/901500145.db2.gz QJYVCGIITDEVNL-OAHLLOKOSA-N 1 2 287.363 1.156 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001038960987 901826229 /nfs/dbraw/zinc/82/62/29/901826229.db2.gz NJVXFGDZVHCCBT-OAHLLOKOSA-N 1 2 256.349 1.741 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001038960987 901826238 /nfs/dbraw/zinc/82/62/38/901826238.db2.gz NJVXFGDZVHCCBT-OAHLLOKOSA-N 1 2 256.349 1.741 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(OCC)cc1 ZINC001038988295 901957474 /nfs/dbraw/zinc/95/74/74/901957474.db2.gz ZGRVFASFSPNBSV-HNNXBMFYSA-N 1 2 286.375 1.913 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OCC)cc1 ZINC001038988295 901957481 /nfs/dbraw/zinc/95/74/81/901957481.db2.gz ZGRVFASFSPNBSV-HNNXBMFYSA-N 1 2 286.375 1.913 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc(NC(C)=O)c2)C1 ZINC001031379945 914581674 /nfs/dbraw/zinc/58/16/74/914581674.db2.gz JTUIDGCYJCWZHY-UHFFFAOYSA-N 1 2 287.363 1.635 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c(C)nn3cccnc23)C1 ZINC001031405041 914607697 /nfs/dbraw/zinc/60/76/97/914607697.db2.gz NXODXXIMXLWPLQ-UHFFFAOYSA-N 1 2 285.351 1.028 20 30 CDEDLO COC(=O)COc1ccc(C[NH2+]CCC#N)cc1[N+](=O)[O-] ZINC000425961128 902311871 /nfs/dbraw/zinc/31/18/71/902311871.db2.gz AESBPJGEPXYWKJ-UHFFFAOYSA-N 1 2 293.279 1.150 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001031448151 914644635 /nfs/dbraw/zinc/64/46/35/914644635.db2.gz LOGQAKASKMEKEI-UHFFFAOYSA-N 1 2 297.362 1.462 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001031462640 914656175 /nfs/dbraw/zinc/65/61/75/914656175.db2.gz GASNDIKSGFMOFJ-CQSZACIVSA-N 1 2 288.778 1.803 20 30 CDEDLO C/C=C/C(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001268949691 903261311 /nfs/dbraw/zinc/26/13/11/903261311.db2.gz WTIHKHAYGHXZOY-ONEGZZNKSA-N 1 2 284.363 1.117 20 30 CDEDLO C=CCC(F)(F)C(=O)N1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001269001247 903317428 /nfs/dbraw/zinc/31/74/28/903317428.db2.gz ODVKLQDRZOEZDR-UHFFFAOYSA-N 1 2 296.321 1.265 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CC2(C)CC2)C1 ZINC001567836818 1169008181 /nfs/dbraw/zinc/00/81/81/1169008181.db2.gz YDNOHIJHSLIUNE-UHFFFAOYSA-N 1 2 256.777 1.977 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccns1 ZINC001110401368 921174350 /nfs/dbraw/zinc/17/43/50/921174350.db2.gz AWLXCUGLZHMBCB-WFFHOREQSA-N 1 2 290.392 1.524 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccns1 ZINC001110401368 921174351 /nfs/dbraw/zinc/17/43/51/921174351.db2.gz AWLXCUGLZHMBCB-WFFHOREQSA-N 1 2 290.392 1.524 20 30 CDEDLO C=C(C)C(=O)OCCNc1ccn2cc(N)[nH+]c2c1 ZINC001168072039 906668502 /nfs/dbraw/zinc/66/85/02/906668502.db2.gz OPMDRVHFCSRRES-UHFFFAOYSA-N 1 2 260.297 1.448 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001128405045 921294815 /nfs/dbraw/zinc/29/48/15/921294815.db2.gz KWUZNLFXCAHBOH-UHFFFAOYSA-N 1 2 262.357 1.347 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nn(C)cc1Cl ZINC001128408848 921296919 /nfs/dbraw/zinc/29/69/19/921296919.db2.gz IUHMNNSOFDPGGH-UHFFFAOYSA-N 1 2 284.791 1.636 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c(C)nn(CC)c2C)C1 ZINC001044058534 921299444 /nfs/dbraw/zinc/29/94/44/921299444.db2.gz XBAMAALWWOWEMT-UHFFFAOYSA-N 1 2 290.411 1.852 20 30 CDEDLO N#CCCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000426451349 921363554 /nfs/dbraw/zinc/36/35/54/921363554.db2.gz QHWUPCDAEMHWSZ-UHFFFAOYSA-N 1 2 273.340 1.395 20 30 CDEDLO Cc1cn(C(C)(C)C(=O)N[C@H]2CCN(CC#N)[C@@H]2C)c[nH+]1 ZINC001088657498 908747110 /nfs/dbraw/zinc/74/71/10/908747110.db2.gz HSOAQHNOZNPWHD-OLZOCXBDSA-N 1 2 289.383 1.029 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC001032942394 921512895 /nfs/dbraw/zinc/51/28/95/921512895.db2.gz LZBMRDFMJYRKJF-NWDGAFQWSA-N 1 2 272.776 1.308 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC001032942394 921512903 /nfs/dbraw/zinc/51/29/03/921512903.db2.gz LZBMRDFMJYRKJF-NWDGAFQWSA-N 1 2 272.776 1.308 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccon2)C1 ZINC001032960579 921520636 /nfs/dbraw/zinc/52/06/36/921520636.db2.gz XFPOEFRBXLSMSI-GFCCVEGCSA-N 1 2 283.759 1.502 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccon2)C1 ZINC001032960579 921520648 /nfs/dbraw/zinc/52/06/48/921520648.db2.gz XFPOEFRBXLSMSI-GFCCVEGCSA-N 1 2 283.759 1.502 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCOC2)C1 ZINC001032967494 921526483 /nfs/dbraw/zinc/52/64/83/921526483.db2.gz MPMTUGAUCZYRQI-QWHCGFSZSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCOC2)C1 ZINC001032967494 921526499 /nfs/dbraw/zinc/52/64/99/921526499.db2.gz MPMTUGAUCZYRQI-QWHCGFSZSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001094045536 910283751 /nfs/dbraw/zinc/28/37/51/910283751.db2.gz AOJOOYALHLUKRG-GHMZBOCLSA-N 1 2 262.357 1.771 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001077390337 910295429 /nfs/dbraw/zinc/29/54/29/910295429.db2.gz OGEHETRYRMEUDW-ZIAGYGMSSA-N 1 2 292.766 1.057 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001077390337 910295444 /nfs/dbraw/zinc/29/54/44/910295444.db2.gz OGEHETRYRMEUDW-ZIAGYGMSSA-N 1 2 292.766 1.057 20 30 CDEDLO C=CCC(C)(C)C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001094160706 910374032 /nfs/dbraw/zinc/37/40/32/910374032.db2.gz DDIHFMMTDRFKEV-UHFFFAOYSA-N 1 2 262.357 1.915 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CCOCC)CC2)C1 ZINC001105697002 910511911 /nfs/dbraw/zinc/51/19/11/910511911.db2.gz KEDRBOHUZVRTBN-UHFFFAOYSA-N 1 2 296.411 1.291 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cn(-c3ccccc3)cn2)C1 ZINC001030346615 911695331 /nfs/dbraw/zinc/69/53/31/911695331.db2.gz CXVNABVYNSJVEY-UHFFFAOYSA-N 1 2 294.358 1.310 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001030410243 911775959 /nfs/dbraw/zinc/77/59/59/911775959.db2.gz DLLWRDDEZZSZIE-SNVBAGLBSA-N 1 2 258.312 1.798 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2nn(C)cc2C)C1 ZINC001033072168 921694287 /nfs/dbraw/zinc/69/42/87/921694287.db2.gz SFKRERWGDYKDDX-GFCCVEGCSA-N 1 2 296.802 1.627 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2nn(C)cc2C)C1 ZINC001033072168 921694294 /nfs/dbraw/zinc/69/42/94/921694294.db2.gz SFKRERWGDYKDDX-GFCCVEGCSA-N 1 2 296.802 1.627 20 30 CDEDLO CC(=O)Nc1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1C#N ZINC001177998892 915080213 /nfs/dbraw/zinc/08/02/13/915080213.db2.gz YWNXMUIWBNAEIF-UHFFFAOYSA-N 1 2 297.318 1.811 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3nn[nH]c32)C1 ZINC001033106808 921790197 /nfs/dbraw/zinc/79/01/97/921790197.db2.gz QOKUVJPPWDYTEE-GFCCVEGCSA-N 1 2 297.362 1.128 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc3nn[nH]c32)C1 ZINC001033106808 921790209 /nfs/dbraw/zinc/79/02/09/921790209.db2.gz QOKUVJPPWDYTEE-GFCCVEGCSA-N 1 2 297.362 1.128 20 30 CDEDLO C=CCCC(=O)NC[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001097714476 936351550 /nfs/dbraw/zinc/35/15/50/936351550.db2.gz AJKKZERJOUGYAM-JTQLQIEISA-N 1 2 292.387 1.129 20 30 CDEDLO C=C[C@](C)(O)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000829046730 936401118 /nfs/dbraw/zinc/40/11/18/936401118.db2.gz ACDMUEQVHGTSRR-ZDUSSCGKSA-N 1 2 276.327 1.111 20 30 CDEDLO C=C[C@](C)(O)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000829046730 936401119 /nfs/dbraw/zinc/40/11/19/936401119.db2.gz ACDMUEQVHGTSRR-ZDUSSCGKSA-N 1 2 276.327 1.111 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC1(F)F)CCO2 ZINC001053244174 936411096 /nfs/dbraw/zinc/41/10/96/936411096.db2.gz DZAZEYWONKYUGK-LLVKDONJSA-N 1 2 286.322 1.131 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@@]1(C)CC)CCO2 ZINC001053490216 936414343 /nfs/dbraw/zinc/41/43/43/936414343.db2.gz APTGARHUYAPUNY-GOEBONIOSA-N 1 2 292.423 1.912 20 30 CDEDLO 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C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cnco2)CC1 ZINC001001004248 936544881 /nfs/dbraw/zinc/54/48/81/936544881.db2.gz OXSOLYMJTKQTGK-UHFFFAOYSA-N 1 2 281.743 1.789 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2csnc2C)C1 ZINC001107883440 918982435 /nfs/dbraw/zinc/98/24/35/918982435.db2.gz TVJJABFRBLCEET-CQSZACIVSA-N 1 2 295.408 1.458 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2csnc2C)C1 ZINC001107883440 918982447 /nfs/dbraw/zinc/98/24/47/918982447.db2.gz TVJJABFRBLCEET-CQSZACIVSA-N 1 2 295.408 1.458 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3C[C@@H]4C[C@H]3CN4CC#N)ccn12 ZINC001032403162 919014087 /nfs/dbraw/zinc/01/40/87/919014087.db2.gz UZJXHLLFWZTLSA-KBPBESRZSA-N 1 2 295.346 1.065 20 30 CDEDLO Cc1nc(N2CCCN(C(=O)C#CC3CC3)CC2)cc[nH+]1 ZINC001057135277 936550381 /nfs/dbraw/zinc/55/03/81/936550381.db2.gz PXUMXIVYBIGPQK-UHFFFAOYSA-N 1 2 284.363 1.237 20 30 CDEDLO N#C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000921547026 919075900 /nfs/dbraw/zinc/07/59/00/919075900.db2.gz HBNMQMWGSWKVOK-CHWSQXEVSA-N 1 2 272.352 1.644 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc2c(s1)CCC2 ZINC001038518637 919114141 /nfs/dbraw/zinc/11/41/41/919114141.db2.gz IMNAPOXIIBDNGI-SNVBAGLBSA-N 1 2 277.393 1.622 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1nc2c(s1)CCC2 ZINC001038518637 919114155 /nfs/dbraw/zinc/11/41/55/919114155.db2.gz IMNAPOXIIBDNGI-SNVBAGLBSA-N 1 2 277.393 1.622 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C2CCCCC2)C1 ZINC001077805826 919162359 /nfs/dbraw/zinc/16/23/59/919162359.db2.gz OYKQPRYVKBLPFP-HUUCEWRRSA-N 1 2 292.423 1.387 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C2CCCCC2)C1 ZINC001077805826 919162364 /nfs/dbraw/zinc/16/23/64/919162364.db2.gz OYKQPRYVKBLPFP-HUUCEWRRSA-N 1 2 292.423 1.387 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2oc(C(C)C)nc2C)C1 ZINC001077807029 919166008 /nfs/dbraw/zinc/16/60/08/919166008.db2.gz WVFGBURUSDKQNV-VXGBXAGGSA-N 1 2 293.367 1.067 20 30 CDEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2oc(C(C)C)nc2C)C1 ZINC001077807029 919166018 /nfs/dbraw/zinc/16/60/18/919166018.db2.gz WVFGBURUSDKQNV-VXGBXAGGSA-N 1 2 293.367 1.067 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccoc1 ZINC001050819516 936565219 /nfs/dbraw/zinc/56/52/19/936565219.db2.gz BQNHHOCPYODUDM-AWEZNQCLSA-N 1 2 278.352 1.676 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccoc1 ZINC001050819516 936565220 /nfs/dbraw/zinc/56/52/20/936565220.db2.gz BQNHHOCPYODUDM-AWEZNQCLSA-N 1 2 278.352 1.676 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2ncn(C)c21 ZINC001032486214 919216996 /nfs/dbraw/zinc/21/69/96/919216996.db2.gz LRPFBTLFRSLMQH-STQMWFEESA-N 1 2 294.358 1.105 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2ncn(C)c21 ZINC001032486214 919217005 /nfs/dbraw/zinc/21/70/05/919217005.db2.gz LRPFBTLFRSLMQH-STQMWFEESA-N 1 2 294.358 1.105 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCOCC1 ZINC001050895172 936566569 /nfs/dbraw/zinc/56/65/69/936566569.db2.gz YWLJIIQFXCSQTE-LSDHHAIUSA-N 1 2 296.411 1.196 20 30 CDEDLO 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CDEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@H]2O)CC1 ZINC001195932560 924770178 /nfs/dbraw/zinc/77/01/78/924770178.db2.gz RJMUXBIOMAUQFX-BLUMVJBISA-N 1 2 298.814 1.647 20 30 CDEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@H]2O)CC1 ZINC001195932560 924770185 /nfs/dbraw/zinc/77/01/85/924770185.db2.gz RJMUXBIOMAUQFX-BLUMVJBISA-N 1 2 298.814 1.647 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=S)Nc1ccccc1C#N ZINC001196349278 924878685 /nfs/dbraw/zinc/87/86/85/924878685.db2.gz RXDQMNLCOSZMFS-UHFFFAOYSA-N 1 2 285.376 1.821 20 30 CDEDLO CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001082970528 925048797 /nfs/dbraw/zinc/04/87/97/925048797.db2.gz QOKHQUJGIQXDNC-UONOGXRCSA-N 1 2 291.376 1.051 20 30 CDEDLO CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001082970528 925048807 /nfs/dbraw/zinc/04/88/07/925048807.db2.gz QOKHQUJGIQXDNC-UONOGXRCSA-N 1 2 291.376 1.051 20 30 CDEDLO C=CCC1(C(=O)N2CCC[N@@H+]([C@H](C)C(N)=O)CC2)CCC1 ZINC001197077851 925049963 /nfs/dbraw/zinc/04/99/63/925049963.db2.gz YKWYQUNACZLXNZ-CYBMUJFWSA-N 1 2 293.411 1.141 20 30 CDEDLO C=CCC1(C(=O)N2CCC[N@H+]([C@H](C)C(N)=O)CC2)CCC1 ZINC001197077851 925049968 /nfs/dbraw/zinc/04/99/68/925049968.db2.gz YKWYQUNACZLXNZ-CYBMUJFWSA-N 1 2 293.411 1.141 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccoc2CCC)[C@@H](O)C1 ZINC001083952488 925117767 /nfs/dbraw/zinc/11/77/67/925117767.db2.gz KPIPBQBTZYHYIL-KGLIPLIRSA-N 1 2 290.363 1.030 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccoc2CCC)[C@@H](O)C1 ZINC001083952488 925117773 /nfs/dbraw/zinc/11/77/73/925117773.db2.gz KPIPBQBTZYHYIL-KGLIPLIRSA-N 1 2 290.363 1.030 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccs3)[C@@H]2C1 ZINC001084165365 925167791 /nfs/dbraw/zinc/16/77/91/925167791.db2.gz RVLZIDDPOQXUDA-VXGBXAGGSA-N 1 2 260.362 1.528 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccs3)[C@@H]2C1 ZINC001084165365 925167793 /nfs/dbraw/zinc/16/77/93/925167793.db2.gz RVLZIDDPOQXUDA-VXGBXAGGSA-N 1 2 260.362 1.528 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cc[nH]n3)[C@@H]2C1 ZINC001084247693 925190133 /nfs/dbraw/zinc/19/01/33/925190133.db2.gz UXRBCILIMGKSDS-DGCLKSJQSA-N 1 2 294.786 1.237 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cc[nH]n3)[C@@H]2C1 ZINC001084247693 925190136 /nfs/dbraw/zinc/19/01/36/925190136.db2.gz UXRBCILIMGKSDS-DGCLKSJQSA-N 1 2 294.786 1.237 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001197812649 925211485 /nfs/dbraw/zinc/21/14/85/925211485.db2.gz SEZTYLZBSRNVJG-BFHYXJOUSA-N 1 2 280.412 1.243 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001197812649 925211497 /nfs/dbraw/zinc/21/14/97/925211497.db2.gz SEZTYLZBSRNVJG-BFHYXJOUSA-N 1 2 280.412 1.243 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3nccs3)[C@@H]2C1 ZINC001084736193 925388600 /nfs/dbraw/zinc/38/86/00/925388600.db2.gz ADCFBZOBPJGWOK-VXGBXAGGSA-N 1 2 275.377 1.313 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3nccs3)[C@@H]2C1 ZINC001084736193 925388610 /nfs/dbraw/zinc/38/86/10/925388610.db2.gz ADCFBZOBPJGWOK-VXGBXAGGSA-N 1 2 275.377 1.313 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(C)CCOC3)[C@@H]2C1 ZINC001084741653 925395262 /nfs/dbraw/zinc/39/52/62/925395262.db2.gz MJOMBBKVMWFEEV-NFAWXSAZSA-N 1 2 298.814 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(C)CCOC3)[C@@H]2C1 ZINC001084741653 925395268 /nfs/dbraw/zinc/39/52/68/925395268.db2.gz MJOMBBKVMWFEEV-NFAWXSAZSA-N 1 2 298.814 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](OC)C1CC1)C2 ZINC001110516362 925485722 /nfs/dbraw/zinc/48/57/22/925485722.db2.gz SXPANTBNDMYDHN-YIYPIFLZSA-N 1 2 298.814 1.885 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](OC)C1CC1)C2 ZINC001110516362 925485729 /nfs/dbraw/zinc/48/57/29/925485729.db2.gz SXPANTBNDMYDHN-YIYPIFLZSA-N 1 2 298.814 1.885 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC([NH2+]CC(F)(F)C(F)F)CC1 ZINC001199816316 925875584 /nfs/dbraw/zinc/87/55/84/925875584.db2.gz IGXWJDVJKCORFH-MRVPVSSYSA-N 1 2 295.280 1.627 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C)[nH]1 ZINC001085516597 926105358 /nfs/dbraw/zinc/10/53/58/926105358.db2.gz YRHFHWUZLIPLNR-LBPRGKRZSA-N 1 2 262.357 1.441 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C)[nH]1 ZINC001085516597 926105362 /nfs/dbraw/zinc/10/53/62/926105362.db2.gz YRHFHWUZLIPLNR-LBPRGKRZSA-N 1 2 262.357 1.441 20 30 CDEDLO CN(C[C@H]1CC[N@@H+]1C/C=C/Cl)C(=O)c1cc(C#N)c[nH]1 ZINC001085536283 926125680 /nfs/dbraw/zinc/12/56/80/926125680.db2.gz YVYVPYDUQUIJOA-FXMSTWTQSA-N 1 2 292.770 1.785 20 30 CDEDLO CN(C[C@H]1CC[N@H+]1C/C=C/Cl)C(=O)c1cc(C#N)c[nH]1 ZINC001085536283 926125686 /nfs/dbraw/zinc/12/56/86/926125686.db2.gz YVYVPYDUQUIJOA-FXMSTWTQSA-N 1 2 292.770 1.785 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)coc1C ZINC001085578506 926175636 /nfs/dbraw/zinc/17/56/36/926175636.db2.gz PQTDKQFMMNRZCT-CYBMUJFWSA-N 1 2 260.337 1.676 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)coc1C ZINC001085578506 926175637 /nfs/dbraw/zinc/17/56/37/926175637.db2.gz PQTDKQFMMNRZCT-CYBMUJFWSA-N 1 2 260.337 1.676 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2cccn2cn1 ZINC001085669257 926259205 /nfs/dbraw/zinc/25/92/05/926259205.db2.gz VWZDPRLEFCYUHV-OAHLLOKOSA-N 1 2 296.374 1.504 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2cccn2cn1 ZINC001085669257 926259209 /nfs/dbraw/zinc/25/92/09/926259209.db2.gz VWZDPRLEFCYUHV-OAHLLOKOSA-N 1 2 296.374 1.504 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2c1OCC2 ZINC001085833803 926438697 /nfs/dbraw/zinc/43/86/97/926438697.db2.gz UNKPXDRVDSEWSE-CQSZACIVSA-N 1 2 284.359 1.401 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2c1OCC2 ZINC001085833803 926438700 /nfs/dbraw/zinc/43/87/00/926438700.db2.gz UNKPXDRVDSEWSE-CQSZACIVSA-N 1 2 284.359 1.401 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn2ccccc2n1 ZINC001085957369 926547333 /nfs/dbraw/zinc/54/73/33/926547333.db2.gz ZXCYKRXAKJGTJO-ZDUSSCGKSA-N 1 2 282.347 1.114 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn2ccccc2n1 ZINC001085957369 926547335 /nfs/dbraw/zinc/54/73/35/926547335.db2.gz ZXCYKRXAKJGTJO-ZDUSSCGKSA-N 1 2 282.347 1.114 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)onc1CC ZINC001085967801 926552174 /nfs/dbraw/zinc/55/21/74/926552174.db2.gz VPNBRRZHPABOIN-LBPRGKRZSA-N 1 2 275.352 1.325 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)onc1CC ZINC001085967801 926552181 /nfs/dbraw/zinc/55/21/81/926552181.db2.gz VPNBRRZHPABOIN-LBPRGKRZSA-N 1 2 275.352 1.325 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)nsc1C ZINC001085990188 926574783 /nfs/dbraw/zinc/57/47/83/926574783.db2.gz JQOKMYVDULGING-GFCCVEGCSA-N 1 2 277.393 1.539 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)nsc1C ZINC001085990188 926574787 /nfs/dbraw/zinc/57/47/87/926574787.db2.gz JQOKMYVDULGING-GFCCVEGCSA-N 1 2 277.393 1.539 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC23CC3)C1 ZINC001108240333 926660474 /nfs/dbraw/zinc/66/04/74/926660474.db2.gz FSBHKQKYKVKMAK-JSGCOSHPSA-N 1 2 264.369 1.180 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC23CC3)C1 ZINC001108240333 926660480 /nfs/dbraw/zinc/66/04/80/926660480.db2.gz FSBHKQKYKVKMAK-JSGCOSHPSA-N 1 2 264.369 1.180 20 30 CDEDLO C#CC[NH+]1CCN(Cc2occc2Br)CC1 ZINC001143127626 937123186 /nfs/dbraw/zinc/12/31/86/937123186.db2.gz FNLGFLKCKQUUNR-UHFFFAOYSA-N 1 2 283.169 1.793 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@]2(C)C[N@H+](CC=C)CCO2)nc1 ZINC001108351603 927430052 /nfs/dbraw/zinc/43/00/52/927430052.db2.gz MHVGUDDQOHFLNG-KRWDZBQOSA-N 1 2 299.374 1.070 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@]2(C)C[N@@H+](CC=C)CCO2)nc1 ZINC001108351603 927430055 /nfs/dbraw/zinc/43/00/55/927430055.db2.gz MHVGUDDQOHFLNG-KRWDZBQOSA-N 1 2 299.374 1.070 20 30 CDEDLO N#CCNC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000109761209 927519846 /nfs/dbraw/zinc/51/98/46/927519846.db2.gz WTNVUPUQZAQOHY-UHFFFAOYSA-N 1 2 299.330 1.627 20 30 CDEDLO N#CCNC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000109761209 927519852 /nfs/dbraw/zinc/51/98/52/927519852.db2.gz WTNVUPUQZAQOHY-UHFFFAOYSA-N 1 2 299.330 1.627 20 30 CDEDLO C#CCC[N@@H+](CCOC)CC(=O)c1cc(C)[nH]c1C ZINC000852752266 927861951 /nfs/dbraw/zinc/86/19/51/927861951.db2.gz SNPDIIQQMUPFAK-UHFFFAOYSA-N 1 2 262.353 1.786 20 30 CDEDLO C#CCC[N@H+](CCOC)CC(=O)c1cc(C)[nH]c1C ZINC000852752266 927861958 /nfs/dbraw/zinc/86/19/58/927861958.db2.gz SNPDIIQQMUPFAK-UHFFFAOYSA-N 1 2 262.353 1.786 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](CN2C[C@@H](c3ccccn3)CC2=O)C1 ZINC000853524856 928038752 /nfs/dbraw/zinc/03/87/52/928038752.db2.gz QZUCBRHRWIHCKF-GJZGRUSLSA-N 1 2 298.390 1.981 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](CN2C[C@@H](c3ccccn3)CC2=O)C1 ZINC000853524856 928038766 /nfs/dbraw/zinc/03/87/66/928038766.db2.gz QZUCBRHRWIHCKF-GJZGRUSLSA-N 1 2 298.390 1.981 20 30 CDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)C[C@@](C)(CC)C1=O ZINC000853621039 928058023 /nfs/dbraw/zinc/05/80/23/928058023.db2.gz NSNJUKUDYWQLEB-OAHLLOKOSA-N 1 2 280.368 1.091 20 30 CDEDLO C#CCC[N@H+](CCOC)CN1C(=O)C[C@@](C)(CC)C1=O ZINC000853621039 928058037 /nfs/dbraw/zinc/05/80/37/928058037.db2.gz NSNJUKUDYWQLEB-OAHLLOKOSA-N 1 2 280.368 1.091 20 30 CDEDLO COCc1noc(CO[NH+]=C(N)c2ccc(F)cc2)n1 ZINC000776831137 928481179 /nfs/dbraw/zinc/48/11/79/928481179.db2.gz ZRVFLLSDCXRGPW-UHFFFAOYSA-N 1 2 280.259 1.192 20 30 CDEDLO COC[C@H](C#N)OC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000857067368 928659410 /nfs/dbraw/zinc/65/94/10/928659410.db2.gz KPYXUNAESLMMTI-LSDHHAIUSA-N 1 2 288.347 1.733 20 30 CDEDLO COC[C@H](C#N)OC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000857067368 928659418 /nfs/dbraw/zinc/65/94/18/928659418.db2.gz KPYXUNAESLMMTI-LSDHHAIUSA-N 1 2 288.347 1.733 20 30 CDEDLO C#Cc1cncc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000857943328 928778150 /nfs/dbraw/zinc/77/81/50/928778150.db2.gz HRIKLILLQXDHAO-ZDUSSCGKSA-N 1 2 266.304 1.004 20 30 CDEDLO Cc1csc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C2)n1 ZINC001206641033 937283401 /nfs/dbraw/zinc/28/34/01/937283401.db2.gz NVKBEEMLLUMLRY-CKYFFXLPSA-N 1 2 292.408 1.548 20 30 CDEDLO Cc1csc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C2)n1 ZINC001206641033 937283404 /nfs/dbraw/zinc/28/34/04/937283404.db2.gz NVKBEEMLLUMLRY-CKYFFXLPSA-N 1 2 292.408 1.548 20 30 CDEDLO Cc1nc(N2CC[C@@](C)(NC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001110754074 928903179 /nfs/dbraw/zinc/90/31/79/928903179.db2.gz UPHQJNWUQKADOX-MRXNPFEDSA-N 1 2 284.363 1.283 20 30 CDEDLO CN(CCCNc1ccc(C#N)nc1)C(=O)Cn1cc[nH+]c1 ZINC001109472612 928952393 /nfs/dbraw/zinc/95/23/93/928952393.db2.gz WGXDRMQWGCJKTD-UHFFFAOYSA-N 1 2 298.350 1.110 20 30 CDEDLO C#CC[C@H](CCOC)NC(=O)NCCNc1cccc[nH+]1 ZINC000859022858 928953251 /nfs/dbraw/zinc/95/32/51/928953251.db2.gz SMYYVPZBBQXWCP-CYBMUJFWSA-N 1 2 290.367 1.221 20 30 CDEDLO C#CCNC(=O)C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000859831136 929074964 /nfs/dbraw/zinc/07/49/64/929074964.db2.gz NCEKXWWBRPCVMB-UHFFFAOYSA-N 1 2 296.374 1.039 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](CC)OCC)CC1 ZINC001112661804 929302067 /nfs/dbraw/zinc/30/20/67/929302067.db2.gz MESYPUWZYPRXFE-ZDUSSCGKSA-N 1 2 254.374 1.522 20 30 CDEDLO C=CCCC(=O)N1CC[NH+](CCn2nc(C)nc2C)CC1 ZINC001112687782 929327423 /nfs/dbraw/zinc/32/74/23/929327423.db2.gz SAVUCIZXYAGORI-UHFFFAOYSA-N 1 2 291.399 1.005 20 30 CDEDLO C#CCCCC(=O)N1CC[NH+](CCOCC2CCC2)CC1 ZINC001112809265 929442202 /nfs/dbraw/zinc/44/22/02/929442202.db2.gz BEKRNODPUNFPLY-UHFFFAOYSA-N 1 2 292.423 1.751 20 30 CDEDLO CCCCCCCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000863520481 929562641 /nfs/dbraw/zinc/56/26/41/929562641.db2.gz VODOKSQOZRJYFD-LBPRGKRZSA-N 1 2 278.356 1.843 20 30 CDEDLO CCCCCCCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000863520481 929562650 /nfs/dbraw/zinc/56/26/50/929562650.db2.gz VODOKSQOZRJYFD-LBPRGKRZSA-N 1 2 278.356 1.843 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc2c1OCC2 ZINC000863572906 929575192 /nfs/dbraw/zinc/57/51/92/929575192.db2.gz RPPIQBBSVQKZHA-CYBMUJFWSA-N 1 2 275.352 1.240 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc2c1OCC2 ZINC000863572906 929575200 /nfs/dbraw/zinc/57/52/00/929575200.db2.gz RPPIQBBSVQKZHA-CYBMUJFWSA-N 1 2 275.352 1.240 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCc2cc(C(=O)OC)ccc2C1 ZINC000880349970 929661708 /nfs/dbraw/zinc/66/17/08/929661708.db2.gz LPUNRGLGCQTUOE-UHFFFAOYSA-N 1 2 288.347 1.134 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCc2cc(C(=O)OC)ccc2C1 ZINC000880349970 929661717 /nfs/dbraw/zinc/66/17/17/929661717.db2.gz LPUNRGLGCQTUOE-UHFFFAOYSA-N 1 2 288.347 1.134 20 30 CDEDLO Cc1nc(C#N)cc(NC[C@H](C)Cn2cc[nH+]c2)n1 ZINC000881819125 929905381 /nfs/dbraw/zinc/90/53/81/929905381.db2.gz FUZIKQOMQFWOHN-JTQLQIEISA-N 1 2 256.313 1.601 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)[C@H]1CCCO1 ZINC000799166197 937380460 /nfs/dbraw/zinc/38/04/60/937380460.db2.gz BNXLMDRRGKGUIM-HUUCEWRRSA-N 1 2 282.347 1.538 20 30 CDEDLO C#CCOCCC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882872472 930090203 /nfs/dbraw/zinc/09/02/03/930090203.db2.gz GHHGRAKIWHSRKJ-MRXNPFEDSA-N 1 2 297.358 1.781 20 30 CDEDLO C=C(C)C[C@@H](CO)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000882903324 930097799 /nfs/dbraw/zinc/09/77/99/930097799.db2.gz ZXAINHLODCBNIM-JQWIXIFHSA-N 1 2 251.330 1.032 20 30 CDEDLO C=C(C)C[C@@H](CO)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000882903324 930097800 /nfs/dbraw/zinc/09/78/00/930097800.db2.gz ZXAINHLODCBNIM-JQWIXIFHSA-N 1 2 251.330 1.032 20 30 CDEDLO C=CCC[C@@H]([NH2+]Cc1nnc(COC)[nH]1)[C@H]1CCCO1 ZINC000883234503 930168728 /nfs/dbraw/zinc/16/87/28/930168728.db2.gz GZULQEIVBPBIDG-VXGBXAGGSA-N 1 2 280.372 1.555 20 30 CDEDLO C#CC1(NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CCCC1 ZINC000883337116 930185878 /nfs/dbraw/zinc/18/58/78/930185878.db2.gz ZEZMKFBMVHOIIH-UONOGXRCSA-N 1 2 293.411 1.341 20 30 CDEDLO C=CCNC(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001202568142 930310079 /nfs/dbraw/zinc/31/00/79/930310079.db2.gz WTATXXZGDMMPOC-UHFFFAOYSA-N 1 2 289.379 1.708 20 30 CDEDLO C=CCCOCC(=O)N(C)C[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001115759183 937418716 /nfs/dbraw/zinc/41/87/16/937418716.db2.gz ASXCCRVIOHUVQW-GFCCVEGCSA-N 1 2 292.383 1.637 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2cccc(C)c21 ZINC000884315916 930522416 /nfs/dbraw/zinc/52/24/16/930522416.db2.gz FGFJLUKJWDLYTK-ZDUSSCGKSA-N 1 2 288.347 1.331 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C/C=C/C)C1 ZINC000884447081 930568385 /nfs/dbraw/zinc/56/83/85/930568385.db2.gz KPUVQNSKKGIPOR-RDJPRVRMSA-N 1 2 294.395 1.638 20 30 CDEDLO C#CC[C@H]1CCN(c2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000884594463 930602525 /nfs/dbraw/zinc/60/25/25/930602525.db2.gz JMCVWLGOYMVKGA-ZDUSSCGKSA-N 1 2 288.420 1.879 20 30 CDEDLO C#CC[C@H]1CCN(c2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000884594463 930602529 /nfs/dbraw/zinc/60/25/29/930602529.db2.gz JMCVWLGOYMVKGA-ZDUSSCGKSA-N 1 2 288.420 1.879 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000884610990 930605885 /nfs/dbraw/zinc/60/58/85/930605885.db2.gz AFHIVZCVZYWWGX-SECBINFHSA-N 1 2 266.326 1.561 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000884610990 930605892 /nfs/dbraw/zinc/60/58/92/930605892.db2.gz AFHIVZCVZYWWGX-SECBINFHSA-N 1 2 266.326 1.561 20 30 CDEDLO Cc1cc(C)c(NC(=O)CO[NH+]=C(N)CCO)c(C)c1 ZINC000136069807 930745440 /nfs/dbraw/zinc/74/54/40/930745440.db2.gz BXWUCRQPRJTRLY-UHFFFAOYSA-N 1 2 279.340 1.222 20 30 CDEDLO NC(CCO)=[NH+]OCc1ncc(-c2ccccc2)o1 ZINC000136068676 930745803 /nfs/dbraw/zinc/74/58/03/930745803.db2.gz QUJRLJWADPKURZ-UHFFFAOYSA-N 1 2 261.281 1.513 20 30 CDEDLO Cc1ccc(C[N@@H+]2CCCn3nncc3C2)cc1C#N ZINC000886466997 930886363 /nfs/dbraw/zinc/88/63/63/930886363.db2.gz RCOCBHMBSCZINR-UHFFFAOYSA-N 1 2 267.336 1.864 20 30 CDEDLO Cc1ccc(C[N@H+]2CCCn3nncc3C2)cc1C#N ZINC000886466997 930886367 /nfs/dbraw/zinc/88/63/67/930886367.db2.gz RCOCBHMBSCZINR-UHFFFAOYSA-N 1 2 267.336 1.864 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2nn(CC)nc2C)CC1 ZINC000886778520 930958204 /nfs/dbraw/zinc/95/82/04/930958204.db2.gz FINSRRDMGVRAFQ-UHFFFAOYSA-N 1 2 264.373 1.509 20 30 CDEDLO C#CCC1(NC(=O)[C@@H](CC)[N@@H+]2CCO[C@H](CC)C2)CCC1 ZINC000886798234 930960876 /nfs/dbraw/zinc/96/08/76/930960876.db2.gz SWEOZYUTROGPPB-HUUCEWRRSA-N 1 2 292.423 1.938 20 30 CDEDLO C#CCC1(NC(=O)[C@@H](CC)[N@H+]2CCO[C@H](CC)C2)CCC1 ZINC000886798234 930960884 /nfs/dbraw/zinc/96/08/84/930960884.db2.gz SWEOZYUTROGPPB-HUUCEWRRSA-N 1 2 292.423 1.938 20 30 CDEDLO C=CCC[C@H](O)C[NH2+][C@H](C[C@@H]1CCCO1)C(=O)OC ZINC000886951120 930997775 /nfs/dbraw/zinc/99/77/75/930997775.db2.gz XEOKEQKWPXEYCS-RWMBFGLXSA-N 1 2 271.357 1.014 20 30 CDEDLO CC(=O)[C@@H](C)N1CC2(CCC1=O)CC[NH+](CCC#N)CC2 ZINC001274031397 931131052 /nfs/dbraw/zinc/13/10/52/931131052.db2.gz PJTSBRQUJVKEJE-CYBMUJFWSA-N 1 2 291.395 1.582 20 30 CDEDLO CC[NH+]1CCN(C(=O)[C@@H](C)SCCO[C@@H](C)C#N)CC1 ZINC000808367809 931251704 /nfs/dbraw/zinc/25/17/04/931251704.db2.gz MMLIZPPSHDBROE-QWHCGFSZSA-N 1 2 299.440 1.201 20 30 CDEDLO C=CCOCC(=O)NC1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001095402399 931444746 /nfs/dbraw/zinc/44/47/46/931444746.db2.gz NFNQDRBREPQRQY-UHFFFAOYSA-N 1 2 290.367 1.073 20 30 CDEDLO C#C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC000844146830 931550581 /nfs/dbraw/zinc/55/05/81/931550581.db2.gz QQHDHJCQKBNFNL-HOCLYGCPSA-N 1 2 279.343 1.936 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2C[C@H]3CN(C)C[C@@H](C2)O3)cc1 ZINC001275132262 931674581 /nfs/dbraw/zinc/67/45/81/931674581.db2.gz PKVQKRDRFQQBFT-IYBDPMFKSA-N 1 2 256.349 1.183 20 30 CDEDLO C#Cc1ccc(C[N@H+]2C[C@H]3CN(C)C[C@@H](C2)O3)cc1 ZINC001275132262 931674585 /nfs/dbraw/zinc/67/45/85/931674585.db2.gz PKVQKRDRFQQBFT-IYBDPMFKSA-N 1 2 256.349 1.183 20 30 CDEDLO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC(F)(F)CO ZINC001171190604 931849920 /nfs/dbraw/zinc/84/99/20/931849920.db2.gz WLRJYDJGQZPFOB-JTQLQIEISA-N 1 2 254.280 1.706 20 30 CDEDLO C=C[C@H](C)ONC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000845628216 931862579 /nfs/dbraw/zinc/86/25/79/931862579.db2.gz WIDUAVLCKXCAAO-RYUDHWBXSA-N 1 2 276.340 1.466 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)/C=C/C(=O)c1ccccc1 ZINC001144714736 931976263 /nfs/dbraw/zinc/97/62/63/931976263.db2.gz MFDJCSMLYVUYHO-BQYQJAHWSA-N 1 2 283.331 1.518 20 30 CDEDLO C[N@@H+]1CCC12CN(C(=O)c1cc(C#N)ccc1Cl)C2 ZINC001275725595 931981633 /nfs/dbraw/zinc/98/16/33/931981633.db2.gz TWMVPVUWLSKBAF-UHFFFAOYSA-N 1 2 275.739 1.742 20 30 CDEDLO C[N@H+]1CCC12CN(C(=O)c1cc(C#N)ccc1Cl)C2 ZINC001275725595 931981636 /nfs/dbraw/zinc/98/16/36/931981636.db2.gz TWMVPVUWLSKBAF-UHFFFAOYSA-N 1 2 275.739 1.742 20 30 CDEDLO CC(=O)OC1C[NH+]([C@H](C)Cc2cccc(C#N)c2)C1 ZINC001171221567 932008971 /nfs/dbraw/zinc/00/89/71/932008971.db2.gz PEFICNIUCQDWCB-LLVKDONJSA-N 1 2 258.321 1.737 20 30 CDEDLO N#Cc1ccc(C[NH+]2CC3(CCN3Cc3cn[nH]c3)C2)cc1 ZINC001275829354 932073308 /nfs/dbraw/zinc/07/33/08/932073308.db2.gz XNLFOYLAWJPEJX-UHFFFAOYSA-N 1 2 293.374 1.742 20 30 CDEDLO C=C(CC)CNC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001118036200 937583813 /nfs/dbraw/zinc/58/38/13/937583813.db2.gz SYNFAKMBPGQIQC-GFCCVEGCSA-N 1 2 290.367 1.198 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092050367 932912695 /nfs/dbraw/zinc/91/26/95/932912695.db2.gz RZGZNXOXXJRPCV-CJNGLKHVSA-N 1 2 288.395 1.309 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092050367 932912697 /nfs/dbraw/zinc/91/26/97/932912697.db2.gz RZGZNXOXXJRPCV-CJNGLKHVSA-N 1 2 288.395 1.309 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccoc1)c1nccn12 ZINC001092345271 932936676 /nfs/dbraw/zinc/93/66/76/932936676.db2.gz YDGLQUMHARNMCH-CYBMUJFWSA-N 1 2 298.346 1.548 20 30 CDEDLO C[C@@H]1NC(=O)[C@H](C)[N@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@H]1C ZINC000930833726 933459646 /nfs/dbraw/zinc/45/96/46/933459646.db2.gz IKSIHJRZQJIJPK-JUFZMCDQSA-N 1 2 287.363 1.189 20 30 CDEDLO C[C@@H]1NC(=O)[C@H](C)[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@H]1C ZINC000930833726 933459651 /nfs/dbraw/zinc/45/96/51/933459651.db2.gz IKSIHJRZQJIJPK-JUFZMCDQSA-N 1 2 287.363 1.189 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCN(C)[C@@H](CO)C1 ZINC000931402970 933556652 /nfs/dbraw/zinc/55/66/52/933556652.db2.gz YRXXLOORBNWEKE-IUODEOHRSA-N 1 2 259.353 1.228 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCN(C)[C@@H](CO)C1 ZINC000931402970 933556660 /nfs/dbraw/zinc/55/66/60/933556660.db2.gz YRXXLOORBNWEKE-IUODEOHRSA-N 1 2 259.353 1.228 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1nnc(C(C)C)s1)C(C)C ZINC000932388544 933704941 /nfs/dbraw/zinc/70/49/41/933704941.db2.gz NMYDHACAMBMPOM-UHFFFAOYSA-N 1 2 280.397 1.944 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1nnc(C(C)C)s1)C(C)C ZINC000932388544 933704942 /nfs/dbraw/zinc/70/49/42/933704942.db2.gz NMYDHACAMBMPOM-UHFFFAOYSA-N 1 2 280.397 1.944 20 30 CDEDLO Cn1nnnc1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933611808 933836554 /nfs/dbraw/zinc/83/65/54/933836554.db2.gz BJBSFZBGIVBBDJ-UHFFFAOYSA-N 1 2 282.351 1.461 20 30 CDEDLO CCC[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000245711840 934798900 /nfs/dbraw/zinc/79/89/00/934798900.db2.gz FNPFUDRRTOBWBL-HUUCEWRRSA-N 1 2 287.363 1.192 20 30 CDEDLO CCC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000245711840 934798904 /nfs/dbraw/zinc/79/89/04/934798904.db2.gz FNPFUDRRTOBWBL-HUUCEWRRSA-N 1 2 287.363 1.192 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)cc1 ZINC000249491383 934937756 /nfs/dbraw/zinc/93/77/56/934937756.db2.gz VIHJSNTWUYTHRO-CJNGLKHVSA-N 1 2 275.348 1.280 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)cc1 ZINC000249491383 934937761 /nfs/dbraw/zinc/93/77/61/934937761.db2.gz VIHJSNTWUYTHRO-CJNGLKHVSA-N 1 2 275.348 1.280 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000796121139 934970292 /nfs/dbraw/zinc/97/02/92/934970292.db2.gz ILUNODSFPYLUFX-LLVKDONJSA-N 1 2 280.821 1.342 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000796121139 934970297 /nfs/dbraw/zinc/97/02/97/934970297.db2.gz ILUNODSFPYLUFX-LLVKDONJSA-N 1 2 280.821 1.342 20 30 CDEDLO C=CCC(C)(C)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000796455236 935275969 /nfs/dbraw/zinc/27/59/69/935275969.db2.gz NCIDKVDIAOFDGZ-LBPRGKRZSA-N 1 2 255.358 1.853 20 30 CDEDLO O=C(C#CC1CC1)N1CC[C@@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000968627362 935350508 /nfs/dbraw/zinc/35/05/08/935350508.db2.gz VLUSZWHZWXUVHT-CQSZACIVSA-N 1 2 299.374 1.656 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001006979220 935371722 /nfs/dbraw/zinc/37/17/22/935371722.db2.gz SBUNTHYFLLIGPJ-GFCCVEGCSA-N 1 2 282.775 1.285 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001006979220 935371728 /nfs/dbraw/zinc/37/17/28/935371728.db2.gz SBUNTHYFLLIGPJ-GFCCVEGCSA-N 1 2 282.775 1.285 20 30 CDEDLO N#CCN1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001007634111 935385726 /nfs/dbraw/zinc/38/57/26/935385726.db2.gz CLLYPZNKPPKYOV-GFCCVEGCSA-N 1 2 283.335 1.281 20 30 CDEDLO N#CCN1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001007913971 935394540 /nfs/dbraw/zinc/39/45/40/935394540.db2.gz LBCQZZOTQXWCLQ-GFCCVEGCSA-N 1 2 283.335 1.052 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2nc3c(s2)CCC3)C1 ZINC001007939571 935395008 /nfs/dbraw/zinc/39/50/08/935395008.db2.gz LQCCDCKHGIKSHI-NSHDSACASA-N 1 2 289.404 1.459 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2nc3c(s2)CCC3)C1 ZINC001007939571 935395010 /nfs/dbraw/zinc/39/50/10/935395010.db2.gz LQCCDCKHGIKSHI-NSHDSACASA-N 1 2 289.404 1.459 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001008978970 935418269 /nfs/dbraw/zinc/41/82/69/935418269.db2.gz GUUYSZFLEWPEKR-LLVKDONJSA-N 1 2 282.775 1.285 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001008978970 935418273 /nfs/dbraw/zinc/41/82/73/935418273.db2.gz GUUYSZFLEWPEKR-LLVKDONJSA-N 1 2 282.775 1.285 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn3c2CCC3)C1 ZINC001014650147 935544892 /nfs/dbraw/zinc/54/48/92/935544892.db2.gz UGKQJCGELKGAJD-NSHDSACASA-N 1 2 294.786 1.386 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn3c2CCC3)C1 ZINC001014650147 935544898 /nfs/dbraw/zinc/54/48/98/935544898.db2.gz UGKQJCGELKGAJD-NSHDSACASA-N 1 2 294.786 1.386 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ncccc2F)C1 ZINC001015614165 935576528 /nfs/dbraw/zinc/57/65/28/935576528.db2.gz UBJKRRDHDSAZAR-NSHDSACASA-N 1 2 297.761 1.706 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ncccc2F)C1 ZINC001015614165 935576532 /nfs/dbraw/zinc/57/65/32/935576532.db2.gz UBJKRRDHDSAZAR-NSHDSACASA-N 1 2 297.761 1.706 20 30 CDEDLO C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)c2cn[nH]n2)CC1 ZINC001016704679 935621785 /nfs/dbraw/zinc/62/17/85/935621785.db2.gz OBTHOYLPIZFAMC-NSHDSACASA-N 1 2 295.774 1.142 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@@H]1C(C)C ZINC001017606443 935644531 /nfs/dbraw/zinc/64/45/31/935644531.db2.gz PVQKJHZIRCUURP-XUWVNRHRSA-N 1 2 290.407 1.356 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@@H]1C(C)C ZINC001017606443 935644534 /nfs/dbraw/zinc/64/45/34/935644534.db2.gz PVQKJHZIRCUURP-XUWVNRHRSA-N 1 2 290.407 1.356 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[C@H]1CCC2 ZINC001017750470 935648320 /nfs/dbraw/zinc/64/83/20/935648320.db2.gz OYLADEQUCCEHJQ-HGTKMLMNSA-N 1 2 258.365 1.485 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[C@H]1CCC2 ZINC001017750470 935648323 /nfs/dbraw/zinc/64/83/23/935648323.db2.gz OYLADEQUCCEHJQ-HGTKMLMNSA-N 1 2 258.365 1.485 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2n[nH]cc2c1 ZINC001017858888 935651371 /nfs/dbraw/zinc/65/13/71/935651371.db2.gz OJIPCDPAMKHKQM-GASCZTMLSA-N 1 2 294.358 1.485 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2n[nH]cc2c1 ZINC001017858888 935651372 /nfs/dbraw/zinc/65/13/72/935651372.db2.gz OJIPCDPAMKHKQM-GASCZTMLSA-N 1 2 294.358 1.485 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1Cl ZINC001017990516 935656835 /nfs/dbraw/zinc/65/68/35/935656835.db2.gz HGZVSPCLMFYOFK-TXEJJXNPSA-N 1 2 289.766 1.657 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1Cl ZINC001017990516 935656838 /nfs/dbraw/zinc/65/68/38/935656838.db2.gz HGZVSPCLMFYOFK-TXEJJXNPSA-N 1 2 289.766 1.657 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(c1)COC2 ZINC001018058701 935659140 /nfs/dbraw/zinc/65/91/40/935659140.db2.gz IVNUDLLFEIPILN-CALCHBBNSA-N 1 2 296.370 1.639 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(c1)COC2 ZINC001018058701 935659144 /nfs/dbraw/zinc/65/91/44/935659144.db2.gz IVNUDLLFEIPILN-CALCHBBNSA-N 1 2 296.370 1.639 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nc(C)n1 ZINC001018059000 935659193 /nfs/dbraw/zinc/65/91/93/935659193.db2.gz AEDILODIXSCDSG-OKILXGFUSA-N 1 2 284.363 1.015 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nc(C)n1 ZINC001018059000 935659198 /nfs/dbraw/zinc/65/91/98/935659198.db2.gz AEDILODIXSCDSG-OKILXGFUSA-N 1 2 284.363 1.015 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cccnc1 ZINC001018071478 935659642 /nfs/dbraw/zinc/65/96/42/935659642.db2.gz SXIQVMRKYRVKMO-GASCZTMLSA-N 1 2 299.374 1.159 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cccnc1 ZINC001018071478 935659646 /nfs/dbraw/zinc/65/96/46/935659646.db2.gz SXIQVMRKYRVKMO-GASCZTMLSA-N 1 2 299.374 1.159 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@]1(C)C(C)C ZINC001018121983 935660969 /nfs/dbraw/zinc/66/09/69/935660969.db2.gz DEXZHMPRPILWSD-QSJFSLAZSA-N 1 2 274.408 1.977 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@]1(C)C(C)C ZINC001018121983 935660972 /nfs/dbraw/zinc/66/09/72/935660972.db2.gz DEXZHMPRPILWSD-QSJFSLAZSA-N 1 2 274.408 1.977 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)[C@@H]1CCCO1 ZINC001018214155 935663333 /nfs/dbraw/zinc/66/33/33/935663333.db2.gz BATRDJRJTUIWQN-JONQDZQNSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)[C@@H]1CCCO1 ZINC001018214155 935663336 /nfs/dbraw/zinc/66/33/36/935663336.db2.gz BATRDJRJTUIWQN-JONQDZQNSA-N 1 2 290.407 1.500 20 30 CDEDLO CCc1cnc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC001018629839 935676698 /nfs/dbraw/zinc/67/66/98/935676698.db2.gz BBMRJDWHPCANAL-QWRGUYRKSA-N 1 2 276.340 1.087 20 30 CDEDLO C#CCN1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000117803129 935709873 /nfs/dbraw/zinc/70/98/73/935709873.db2.gz MDJIPPKBQDQJRV-UHFFFAOYSA-N 1 2 294.358 1.263 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C/C=C\Cl ZINC001038267636 935739421 /nfs/dbraw/zinc/73/94/21/935739421.db2.gz WYSXYXBPGXJNEB-HUYFEHBVSA-N 1 2 298.814 1.911 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C/C=C\Cl ZINC001038267636 935739423 /nfs/dbraw/zinc/73/94/23/935739423.db2.gz WYSXYXBPGXJNEB-HUYFEHBVSA-N 1 2 298.814 1.911 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(OCCC)c1 ZINC001038309880 935741130 /nfs/dbraw/zinc/74/11/30/935741130.db2.gz FRRCPEFAQYMEHB-OAHLLOKOSA-N 1 2 286.375 1.913 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(OCCC)c1 ZINC001038309880 935741132 /nfs/dbraw/zinc/74/11/32/935741132.db2.gz FRRCPEFAQYMEHB-OAHLLOKOSA-N 1 2 286.375 1.913 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C2CC2)nn1CC ZINC001038381750 935743414 /nfs/dbraw/zinc/74/34/14/935743414.db2.gz MWUHWMXSXGTHPU-CYBMUJFWSA-N 1 2 286.379 1.218 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C2CC2)nn1CC ZINC001038381750 935743416 /nfs/dbraw/zinc/74/34/16/935743416.db2.gz MWUHWMXSXGTHPU-CYBMUJFWSA-N 1 2 286.379 1.218 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC001038573231 935749050 /nfs/dbraw/zinc/74/90/50/935749050.db2.gz VVOXMBKTNNDARR-ZDUSSCGKSA-N 1 2 285.322 1.744 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC001038573231 935749052 /nfs/dbraw/zinc/74/90/52/935749052.db2.gz VVOXMBKTNNDARR-ZDUSSCGKSA-N 1 2 285.322 1.744 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001038562168 935749124 /nfs/dbraw/zinc/74/91/24/935749124.db2.gz ASZCGBKBHFJYQD-QMMMGPOBSA-N 1 2 286.162 1.759 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001038562168 935749128 /nfs/dbraw/zinc/74/91/28/935749128.db2.gz ASZCGBKBHFJYQD-QMMMGPOBSA-N 1 2 286.162 1.759 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccn(C(C)C)c1C ZINC001038623181 935751508 /nfs/dbraw/zinc/75/15/08/935751508.db2.gz UGVWKRYBEZZZGP-AWEZNQCLSA-N 1 2 273.380 1.815 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn(C(C)C)c1C ZINC001038623181 935751512 /nfs/dbraw/zinc/75/15/12/935751512.db2.gz UGVWKRYBEZZZGP-AWEZNQCLSA-N 1 2 273.380 1.815 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2c1OCC2 ZINC001038729356 935754478 /nfs/dbraw/zinc/75/44/78/935754478.db2.gz HSMFFZQSMXXSKP-AWEZNQCLSA-N 1 2 284.359 1.449 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2c1OCC2 ZINC001038729356 935754480 /nfs/dbraw/zinc/75/44/80/935754480.db2.gz HSMFFZQSMXXSKP-AWEZNQCLSA-N 1 2 284.359 1.449 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccnc1C(F)(F)F ZINC001038744042 935755167 /nfs/dbraw/zinc/75/51/67/935755167.db2.gz ZIIBPIDJIOOIOM-SNVBAGLBSA-N 1 2 297.280 1.538 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccnc1C(F)(F)F ZINC001038744042 935755170 /nfs/dbraw/zinc/75/51/70/935755170.db2.gz ZIIBPIDJIOOIOM-SNVBAGLBSA-N 1 2 297.280 1.538 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn2c1CCCC2 ZINC001038888348 935760983 /nfs/dbraw/zinc/76/09/83/935760983.db2.gz URBYPWCIMXZYST-CYBMUJFWSA-N 1 2 286.379 1.047 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn2c1CCCC2 ZINC001038888348 935760987 /nfs/dbraw/zinc/76/09/87/935760987.db2.gz URBYPWCIMXZYST-CYBMUJFWSA-N 1 2 286.379 1.047 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1oc(CCC)nc1C ZINC001038915942 935762682 /nfs/dbraw/zinc/76/26/82/935762682.db2.gz ZDEOLNJOJJYRFJ-CYBMUJFWSA-N 1 2 289.379 1.763 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1oc(CCC)nc1C ZINC001038915942 935762683 /nfs/dbraw/zinc/76/26/83/935762683.db2.gz ZDEOLNJOJJYRFJ-CYBMUJFWSA-N 1 2 289.379 1.763 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccoc1CCC ZINC001038926461 935763322 /nfs/dbraw/zinc/76/33/22/935763322.db2.gz OTEOVBDGRUMGTC-GFCCVEGCSA-N 1 2 260.337 1.669 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccoc1CCC ZINC001038926461 935763324 /nfs/dbraw/zinc/76/33/24/935763324.db2.gz OTEOVBDGRUMGTC-GFCCVEGCSA-N 1 2 260.337 1.669 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001038980845 935764802 /nfs/dbraw/zinc/76/48/02/935764802.db2.gz BYELKSHIWOWGQJ-UKRRQHHQSA-N 1 2 288.778 1.803 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001038980845 935764804 /nfs/dbraw/zinc/76/48/04/935764804.db2.gz BYELKSHIWOWGQJ-UKRRQHHQSA-N 1 2 288.778 1.803 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)nsc1C ZINC001039064300 935767217 /nfs/dbraw/zinc/76/72/17/935767217.db2.gz HHGZHUASSWHCTK-LLVKDONJSA-N 1 2 263.366 1.197 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)nsc1C ZINC001039064300 935767219 /nfs/dbraw/zinc/76/72/19/935767219.db2.gz HHGZHUASSWHCTK-LLVKDONJSA-N 1 2 263.366 1.197 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001039055354 935767834 /nfs/dbraw/zinc/76/78/34/935767834.db2.gz WDXHIFWJXNYUFX-GFCCVEGCSA-N 1 2 299.330 1.361 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001039055354 935767835 /nfs/dbraw/zinc/76/78/35/935767835.db2.gz WDXHIFWJXNYUFX-GFCCVEGCSA-N 1 2 299.330 1.361 20 30 CDEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1C[NH+](Cc2ccccc2)C1 ZINC001042637406 935825879 /nfs/dbraw/zinc/82/58/79/935825879.db2.gz IMGHGVRZWXWBCD-UHFFFAOYSA-N 1 2 294.358 1.843 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC001043367312 935837642 /nfs/dbraw/zinc/83/76/42/935837642.db2.gz PHYNMNYHAUJMTE-UHFFFAOYSA-N 1 2 275.352 1.292 20 30 CDEDLO C=C1CCC(C(=O)N(C)C2C[NH+](CCOC)C2)CC1 ZINC001043752784 935843123 /nfs/dbraw/zinc/84/31/23/935843123.db2.gz WCFHYNYKXPTBPS-UHFFFAOYSA-N 1 2 266.385 1.522 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2noc3c2CCCC3)C1 ZINC001043963169 935846739 /nfs/dbraw/zinc/84/67/39/935846739.db2.gz HNPHSOXFGYKTKQ-UHFFFAOYSA-N 1 2 287.363 1.333 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001043960986 935847679 /nfs/dbraw/zinc/84/76/79/935847679.db2.gz WQHQCSVFFMSOQI-UHFFFAOYSA-N 1 2 274.368 1.619 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cn(CCC)nc2C)C1 ZINC001044087435 935850952 /nfs/dbraw/zinc/85/09/52/935850952.db2.gz DVFSCEBKLHDWJC-UHFFFAOYSA-N 1 2 288.395 1.381 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2cccc3nc(C)[nH]c32)C1 ZINC001044140346 935852605 /nfs/dbraw/zinc/85/26/05/935852605.db2.gz CKGKTCNILJRQSH-UHFFFAOYSA-N 1 2 284.363 1.814 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc3nc(C)ccc3o2)C1 ZINC001044213334 935854388 /nfs/dbraw/zinc/85/43/88/935854388.db2.gz DAISDEMWNRZXGO-UHFFFAOYSA-N 1 2 297.358 1.916 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccc(C)nc2)C1 ZINC001044296919 935856933 /nfs/dbraw/zinc/85/69/33/935856933.db2.gz RKHGZKGKVFLYPR-UHFFFAOYSA-N 1 2 259.353 1.261 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[C@H]2OC)C1 ZINC001044356436 935857534 /nfs/dbraw/zinc/85/75/34/935857534.db2.gz RTKWWPWZAABYRS-ZIAGYGMSSA-N 1 2 266.385 1.520 20 30 CDEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccoc2Cl)C1 ZINC001047360435 936000502 /nfs/dbraw/zinc/00/05/02/936000502.db2.gz MZWOZGBAKHQQFI-RYUDHWBXSA-N 1 2 296.754 1.073 20 30 CDEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccoc2Cl)C1 ZINC001047360435 936000504 /nfs/dbraw/zinc/00/05/04/936000504.db2.gz MZWOZGBAKHQQFI-RYUDHWBXSA-N 1 2 296.754 1.073 20 30 CDEDLO Cc1cc(N2CC[C@@H](NC(=O)[C@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001096338421 936045171 /nfs/dbraw/zinc/04/51/71/936045171.db2.gz KNKSJXZVXKZVKW-ZWNOBZJWSA-N 1 2 299.378 1.517 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cocn3)[C@@H]2C1 ZINC001049996394 936198935 /nfs/dbraw/zinc/19/89/35/936198935.db2.gz ZBAMBKRBGDBDJV-WCQYABFASA-N 1 2 295.770 1.964 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3cocn3)[C@@H]2C1 ZINC001049996394 936198939 /nfs/dbraw/zinc/19/89/39/936198939.db2.gz ZBAMBKRBGDBDJV-WCQYABFASA-N 1 2 295.770 1.964 20 30 CDEDLO Cc1nc(N[C@H](CNC(=O)C#CC2CC2)C2CC2)cc[nH+]1 ZINC001096654330 936202218 /nfs/dbraw/zinc/20/22/18/936202218.db2.gz KBUSREXXHPNNQW-CQSZACIVSA-N 1 2 284.363 1.505 20 30 CDEDLO C#CC[NH2+]C1CC2(CC(NC(=O)C(F)C(F)(F)F)C2)C1 ZINC001121145194 937858716 /nfs/dbraw/zinc/85/87/16/937858716.db2.gz UQUCENVAIXKDTB-LYZGGPHJSA-N 1 2 292.276 1.537 20 30 CDEDLO C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001121145194 937858718 /nfs/dbraw/zinc/85/87/18/937858718.db2.gz UQUCENVAIXKDTB-LYZGGPHJSA-N 1 2 292.276 1.537 20 30 CDEDLO COc1ccc2nc(N3CC[NH2+]C[C@@H]3C#N)c(C)nc2c1 ZINC001156332763 938353269 /nfs/dbraw/zinc/35/32/69/938353269.db2.gz PEFOZSMNRSWJAR-NSHDSACASA-N 1 2 283.335 1.249 20 30 CDEDLO C=C(C)C(=O)NCCCNc1ccc(Cl)c(N)[nH+]1 ZINC001156826125 938422811 /nfs/dbraw/zinc/42/28/11/938422811.db2.gz MANZJXDGOAMMKC-UHFFFAOYSA-N 1 2 268.748 1.812 20 30 CDEDLO Cc1cc(C#N)cc(NC[C@H]([NH3+])C(=O)OC(C)(C)C)n1 ZINC001162856051 939154546 /nfs/dbraw/zinc/15/45/46/939154546.db2.gz UQRKASPZGBAARK-NSHDSACASA-N 1 2 276.340 1.343 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2ccc(OC)cc2CC#N)C[NH2+]1 ZINC001164308731 939450912 /nfs/dbraw/zinc/45/09/12/939450912.db2.gz QMVXOSGPPONMIV-FZMZJTMJSA-N 1 2 289.335 1.077 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001164323129 939455538 /nfs/dbraw/zinc/45/55/38/939455538.db2.gz CIJVLGOUJFPWPA-GFCCVEGCSA-N 1 2 294.399 1.830 20 30 CDEDLO COc1ccnc(N2CC[NH2+]CC(F)(F)C2)c1C#N ZINC001164493485 939478870 /nfs/dbraw/zinc/47/88/70/939478870.db2.gz YPKMFGWEQHVVTJ-UHFFFAOYSA-N 1 2 268.267 1.007 20 30 CDEDLO CNc1ccc(Nc2c(C#N)cnc3ccnn32)c[nH+]1 ZINC001203449976 939687401 /nfs/dbraw/zinc/68/74/01/939687401.db2.gz PUOOCHMIOROJAZ-UHFFFAOYSA-N 1 2 265.280 1.781 20 30 CDEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ncc[nH]1)C2 ZINC001203974732 939717022 /nfs/dbraw/zinc/71/70/22/939717022.db2.gz KTAUZGULILKXMJ-ZFWWWQNUSA-N 1 2 277.368 1.736 20 30 CDEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ncc[nH]1)C2 ZINC001203974732 939717023 /nfs/dbraw/zinc/71/70/23/939717023.db2.gz KTAUZGULILKXMJ-ZFWWWQNUSA-N 1 2 277.368 1.736 20 30 CDEDLO CC(=O)N1CCC2(C[NH+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001205473281 939892226 /nfs/dbraw/zinc/89/22/26/939892226.db2.gz SPHWUTKWFLGZNY-UHFFFAOYSA-N 1 2 287.338 1.752 20 30 CDEDLO N#Cc1cccc(NC(=O)NCc2ccc[nH+]c2N)n1 ZINC001206778461 940086295 /nfs/dbraw/zinc/08/62/95/940086295.db2.gz VXDOVZUZSNCEMT-UHFFFAOYSA-N 1 2 268.280 1.252 20 30 CDEDLO Cn1cc(C[N@@H+]2CCc3cccnc3C2)cc1C#N ZINC001207109839 940151477 /nfs/dbraw/zinc/15/14/77/940151477.db2.gz WHZKBSUVFDDXFZ-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO Cn1cc(C[N@H+]2CCc3cccnc3C2)cc1C#N ZINC001207109839 940151478 /nfs/dbraw/zinc/15/14/78/940151478.db2.gz WHZKBSUVFDDXFZ-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO C[N@@H+]1CCC12CN(C(=O)c1ccc(C#N)cc1Cl)C2 ZINC001276533688 940198157 /nfs/dbraw/zinc/19/81/57/940198157.db2.gz DBSVYDNEPUDAGV-UHFFFAOYSA-N 1 2 275.739 1.742 20 30 CDEDLO C[N@H+]1CCC12CN(C(=O)c1ccc(C#N)cc1Cl)C2 ZINC001276533688 940198160 /nfs/dbraw/zinc/19/81/60/940198160.db2.gz DBSVYDNEPUDAGV-UHFFFAOYSA-N 1 2 275.739 1.742 20 30 CDEDLO C=CCN(CC[N@@H+]1CCOCC12CCC2)C(=O)OCC ZINC001209022643 940425674 /nfs/dbraw/zinc/42/56/74/940425674.db2.gz PZFIIQRKDUBMTH-UHFFFAOYSA-N 1 2 282.384 1.886 20 30 CDEDLO C=CCN(CC[N@H+]1CCOCC12CCC2)C(=O)OCC ZINC001209022643 940425675 /nfs/dbraw/zinc/42/56/75/940425675.db2.gz PZFIIQRKDUBMTH-UHFFFAOYSA-N 1 2 282.384 1.886 20 30 CDEDLO C=C(Br)C[NH+]1CCC(CO)(OC)CC1 ZINC000401715041 940877850 /nfs/dbraw/zinc/87/78/50/940877850.db2.gz AJFPRFVMMFMRDN-UHFFFAOYSA-N 1 2 264.163 1.368 20 30 CDEDLO C[C@@H]1C[N@H+](C[C@H](O)c2cccc(C#N)c2)CC[S@@](=O)C1 ZINC001473385043 970786279 /nfs/dbraw/zinc/78/62/79/970786279.db2.gz NPCIIJCIKSXGMX-UFAGZECESA-N 1 2 292.404 1.292 20 30 CDEDLO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc(C#N)c2)CC[S@@](=O)C1 ZINC001473385043 970786290 /nfs/dbraw/zinc/78/62/90/970786290.db2.gz NPCIIJCIKSXGMX-UFAGZECESA-N 1 2 292.404 1.292 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](CCC)C(C)C)[C@H]2C1 ZINC001218704079 941259877 /nfs/dbraw/zinc/25/98/77/941259877.db2.gz VNSHOECAEWMIOA-OWCLPIDISA-N 1 2 292.423 1.604 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](CCC)C(C)C)[C@H]2C1 ZINC001218704079 941259878 /nfs/dbraw/zinc/25/98/78/941259878.db2.gz VNSHOECAEWMIOA-OWCLPIDISA-N 1 2 292.423 1.604 20 30 CDEDLO CCc1cc(NC(=O)[C@@H]2COCC[NH2+]2)cc(CC)c1C#N ZINC001219114772 941309857 /nfs/dbraw/zinc/30/98/57/941309857.db2.gz NTVANGDNCOELNQ-HNNXBMFYSA-N 1 2 287.363 1.610 20 30 CDEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](F)CC)C[C@@H]2O)CCC1 ZINC001219785040 941388039 /nfs/dbraw/zinc/38/80/39/941388039.db2.gz BEQZBJKSIGGZPX-MJBXVCDLSA-N 1 2 296.386 1.089 20 30 CDEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](F)CC)C[C@@H]2O)CCC1 ZINC001219785040 941388041 /nfs/dbraw/zinc/38/80/41/941388041.db2.gz BEQZBJKSIGGZPX-MJBXVCDLSA-N 1 2 296.386 1.089 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)CC2CCCCC2)[C@@H](O)C1 ZINC001220772269 941470405 /nfs/dbraw/zinc/47/04/05/941470405.db2.gz NHNYSFQGEQGECH-ZNMIVQPWSA-N 1 2 296.386 1.089 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](F)CC2CCCCC2)[C@@H](O)C1 ZINC001220772269 941470407 /nfs/dbraw/zinc/47/04/07/941470407.db2.gz NHNYSFQGEQGECH-ZNMIVQPWSA-N 1 2 296.386 1.089 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@](C)(CC)CCCCC)[C@@H](O)C1 ZINC001221121175 941498153 /nfs/dbraw/zinc/49/81/53/941498153.db2.gz VNFPMEXWAHRHMK-HLLBOEOZSA-N 1 2 294.439 1.778 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@](C)(CC)CCCCC)[C@@H](O)C1 ZINC001221121175 941498156 /nfs/dbraw/zinc/49/81/56/941498156.db2.gz VNFPMEXWAHRHMK-HLLBOEOZSA-N 1 2 294.439 1.778 20 30 CDEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@@H+](CCF)C[C@H]32)CCC1 ZINC001221611767 941544231 /nfs/dbraw/zinc/54/42/31/941544231.db2.gz JLUGYELRALEMIQ-ZIAGYGMSSA-N 1 2 278.371 1.682 20 30 CDEDLO C#CCC1(C(=O)N2C[C@H]3CC[N@H+](CCF)C[C@H]32)CCC1 ZINC001221611767 941544234 /nfs/dbraw/zinc/54/42/34/941544234.db2.gz JLUGYELRALEMIQ-ZIAGYGMSSA-N 1 2 278.371 1.682 20 30 CDEDLO C#CC[C@H](C)OCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001224729401 941787053 /nfs/dbraw/zinc/78/70/53/941787053.db2.gz GMZGGPFBWZADQN-AWEZNQCLSA-N 1 2 296.411 1.968 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2nc(C3CC3)ccc2C#N)C1 ZINC001226264018 941978329 /nfs/dbraw/zinc/97/83/29/941978329.db2.gz KBTPECKJNCDEQM-CYBMUJFWSA-N 1 2 273.336 1.540 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2nc(C3CC3)ccc2C#N)C1 ZINC001226264018 941978330 /nfs/dbraw/zinc/97/83/30/941978330.db2.gz KBTPECKJNCDEQM-CYBMUJFWSA-N 1 2 273.336 1.540 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2nc(C(C)(C)C)ccc2C#N)C1 ZINC001226550291 942024193 /nfs/dbraw/zinc/02/41/93/942024193.db2.gz NJXQJQGFZOQUDN-ZDUSSCGKSA-N 1 2 289.379 1.960 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2nc(C(C)(C)C)ccc2C#N)C1 ZINC001226550291 942024195 /nfs/dbraw/zinc/02/41/95/942024195.db2.gz NJXQJQGFZOQUDN-ZDUSSCGKSA-N 1 2 289.379 1.960 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cnnc4ccccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226890730 942089254 /nfs/dbraw/zinc/08/92/54/942089254.db2.gz DQLJDFQRYFNZFA-KIMJBNCKSA-N 1 2 283.331 1.621 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cnnc4ccccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226890730 942089258 /nfs/dbraw/zinc/08/92/58/942089258.db2.gz DQLJDFQRYFNZFA-KIMJBNCKSA-N 1 2 283.331 1.621 20 30 CDEDLO COc1cccc(C)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001227163926 942143562 /nfs/dbraw/zinc/14/35/62/942143562.db2.gz GWWGPAPTFGVPOJ-FDAWXEHDSA-N 1 2 275.348 1.995 20 30 CDEDLO COc1cccc(C)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001227163926 942143564 /nfs/dbraw/zinc/14/35/64/942143564.db2.gz GWWGPAPTFGVPOJ-FDAWXEHDSA-N 1 2 275.348 1.995 20 30 CDEDLO CC(=O)/C=C\c1ccc(OC[C@H]2C[N@H+](C)CCO2)cc1 ZINC001228494838 942327416 /nfs/dbraw/zinc/32/74/16/942327416.db2.gz USTZNEMCVMSMAX-MJSXRHKHSA-N 1 2 275.348 1.998 20 30 CDEDLO CC(=O)/C=C\c1ccc(OC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001228494838 942327419 /nfs/dbraw/zinc/32/74/19/942327419.db2.gz USTZNEMCVMSMAX-MJSXRHKHSA-N 1 2 275.348 1.998 20 30 CDEDLO CC(C)[NH+]1CC(Oc2cc([N+](=O)[O-])ccc2C#N)C1 ZINC001228923297 942394377 /nfs/dbraw/zinc/39/43/77/942394377.db2.gz PVTGRWOXZDMMJR-UHFFFAOYSA-N 1 2 261.281 1.938 20 30 CDEDLO C=CC(C)(C)C(=O)N(C)C[C@@H]1CCN1Cc1c[nH+]cn1C ZINC001316603405 942437482 /nfs/dbraw/zinc/43/74/82/942437482.db2.gz WXGJGQQEXCDVNY-ZDUSSCGKSA-N 1 2 290.411 1.665 20 30 CDEDLO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cncn1C ZINC001316603405 942437487 /nfs/dbraw/zinc/43/74/87/942437487.db2.gz WXGJGQQEXCDVNY-ZDUSSCGKSA-N 1 2 290.411 1.665 20 30 CDEDLO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cncn1C ZINC001316603405 942437488 /nfs/dbraw/zinc/43/74/88/942437488.db2.gz WXGJGQQEXCDVNY-ZDUSSCGKSA-N 1 2 290.411 1.665 20 30 CDEDLO CN(C[C@@H]1CC[N@@H+]1C/C=C\Cl)C(=O)CSCC#N ZINC001230819388 942704905 /nfs/dbraw/zinc/70/49/05/942704905.db2.gz SWXRHMPMEPGGOP-MORRKMRCSA-N 1 2 287.816 1.528 20 30 CDEDLO CN(C[C@@H]1CC[N@H+]1C/C=C\Cl)C(=O)CSCC#N ZINC001230819388 942704911 /nfs/dbraw/zinc/70/49/11/942704911.db2.gz SWXRHMPMEPGGOP-MORRKMRCSA-N 1 2 287.816 1.528 20 30 CDEDLO CC[C@@H](F)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CSCC#N ZINC001230815354 942706664 /nfs/dbraw/zinc/70/66/64/942706664.db2.gz NMGFYXFRWBBIPA-VXGBXAGGSA-N 1 2 287.404 1.524 20 30 CDEDLO CC[C@@H](F)C[N@H+]1CC[C@@H]1CN(C)C(=O)CSCC#N ZINC001230815354 942706670 /nfs/dbraw/zinc/70/66/70/942706670.db2.gz NMGFYXFRWBBIPA-VXGBXAGGSA-N 1 2 287.404 1.524 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001231095435 942783590 /nfs/dbraw/zinc/78/35/90/942783590.db2.gz PYMXVSHYLQJHGX-STQMWFEESA-N 1 2 272.364 1.470 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001231095435 942783593 /nfs/dbraw/zinc/78/35/93/942783593.db2.gz PYMXVSHYLQJHGX-STQMWFEESA-N 1 2 272.364 1.470 20 30 CDEDLO COC(=O)CC1C[NH+](Cc2ccc(C#N)cc2OC)C1 ZINC001231618746 942945667 /nfs/dbraw/zinc/94/56/67/942945667.db2.gz UKZLFHQTTJNNTO-UHFFFAOYSA-N 1 2 274.320 1.562 20 30 CDEDLO C#Cc1cccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC001231656533 942963865 /nfs/dbraw/zinc/96/38/65/942963865.db2.gz NQPIGJWHTGVLKD-QGZVFWFLSA-N 1 2 298.386 1.491 20 30 CDEDLO Cc1[nH]c(CN2CCN(c3ccc(C#N)cc3)CC2)c[nH+]1 ZINC001232461652 943279562 /nfs/dbraw/zinc/27/95/62/943279562.db2.gz BZDIYDYXRQHDDV-UHFFFAOYSA-N 1 2 281.363 1.912 20 30 CDEDLO Cn1cc(C[N@H+](C)Cc2cc(C#N)ccc2O)cn1 ZINC001232673147 943354497 /nfs/dbraw/zinc/35/44/97/943354497.db2.gz AUKRJBWWDUYJGV-UHFFFAOYSA-N 1 2 256.309 1.629 20 30 CDEDLO Cn1cc(C[N@@H+](C)Cc2cc(C#N)ccc2O)cn1 ZINC001232673147 943354498 /nfs/dbraw/zinc/35/44/98/943354498.db2.gz AUKRJBWWDUYJGV-UHFFFAOYSA-N 1 2 256.309 1.629 20 30 CDEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC001232675609 943357807 /nfs/dbraw/zinc/35/78/07/943357807.db2.gz QRYPAJHBSMZYAW-UHFFFAOYSA-N 1 2 274.320 1.603 20 30 CDEDLO CC(=O)N1CC[N@@H+](Cc2cc(C#N)ccc2O)C[C@H]1C ZINC001232677786 943360344 /nfs/dbraw/zinc/36/03/44/943360344.db2.gz JVJSLNZDZYVOOW-LLVKDONJSA-N 1 2 273.336 1.316 20 30 CDEDLO CC(=O)N1CC[N@H+](Cc2cc(C#N)ccc2O)C[C@H]1C ZINC001232677786 943360351 /nfs/dbraw/zinc/36/03/51/943360351.db2.gz JVJSLNZDZYVOOW-LLVKDONJSA-N 1 2 273.336 1.316 20 30 CDEDLO N#Cc1ccc(O)c(C[NH+]2CCC(NC(=O)C3CC3)CC2)c1 ZINC001232679996 943363515 /nfs/dbraw/zinc/36/35/15/943363515.db2.gz WMBOXKQZNLVDAW-UHFFFAOYSA-N 1 2 299.374 1.754 20 30 CDEDLO COC(=O)N1CCC[N@H+](Cc2cccc(C#N)n2)CC1 ZINC001232923279 943435048 /nfs/dbraw/zinc/43/50/48/943435048.db2.gz SRABORKYRPEUKD-UHFFFAOYSA-N 1 2 274.324 1.227 20 30 CDEDLO COC(=O)N1CCC[N@@H+](Cc2cccc(C#N)n2)CC1 ZINC001232923279 943435049 /nfs/dbraw/zinc/43/50/49/943435049.db2.gz SRABORKYRPEUKD-UHFFFAOYSA-N 1 2 274.324 1.227 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)c(O)c1 ZINC001233386968 943574668 /nfs/dbraw/zinc/57/46/68/943574668.db2.gz OXZPRGOOOIWTEG-ZDUSSCGKSA-N 1 2 293.317 1.789 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)c(O)c1 ZINC001233386968 943574673 /nfs/dbraw/zinc/57/46/73/943574673.db2.gz OXZPRGOOOIWTEG-ZDUSSCGKSA-N 1 2 293.317 1.789 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C/C ZINC001233571434 943619558 /nfs/dbraw/zinc/61/95/58/943619558.db2.gz VECVHTWDNQUXDB-NAICIEFVSA-N 1 2 293.411 1.176 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C/C ZINC001233571434 943619562 /nfs/dbraw/zinc/61/95/62/943619562.db2.gz VECVHTWDNQUXDB-NAICIEFVSA-N 1 2 293.411 1.176 20 30 CDEDLO COC(=O)c1ccc(OC[C@H]2C[N@H+](C)CCO2)c(C#N)c1 ZINC001233629961 943629009 /nfs/dbraw/zinc/62/90/09/943629009.db2.gz CCHUPAGGFQDKSM-CYBMUJFWSA-N 1 2 290.319 1.054 20 30 CDEDLO COC(=O)c1ccc(OC[C@H]2C[N@@H+](C)CCO2)c(C#N)c1 ZINC001233629961 943629011 /nfs/dbraw/zinc/62/90/11/943629011.db2.gz CCHUPAGGFQDKSM-CYBMUJFWSA-N 1 2 290.319 1.054 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1[nH]ccc1C ZINC001233991633 943708805 /nfs/dbraw/zinc/70/88/05/943708805.db2.gz RLUVHKHAMUYYOQ-CQSZACIVSA-N 1 2 289.379 1.119 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1[nH]ccc1C ZINC001233991633 943708807 /nfs/dbraw/zinc/70/88/07/943708807.db2.gz RLUVHKHAMUYYOQ-CQSZACIVSA-N 1 2 289.379 1.119 20 30 CDEDLO C=CCN(C)c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1C ZINC001262914056 943711039 /nfs/dbraw/zinc/71/10/39/943711039.db2.gz YMUJJQYKERXWGR-GFCCVEGCSA-N 1 2 279.388 1.219 20 30 CDEDLO C=CCN(C)c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1C ZINC001262914056 943711040 /nfs/dbraw/zinc/71/10/40/943711040.db2.gz YMUJJQYKERXWGR-GFCCVEGCSA-N 1 2 279.388 1.219 20 30 CDEDLO COc1cc(CN2CC(C#N)C2)ccc1-n1cc[nH+]c1 ZINC001234034176 943722632 /nfs/dbraw/zinc/72/26/32/943722632.db2.gz ZALZYAINAVBYMG-UHFFFAOYSA-N 1 2 268.320 1.836 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CC1 ZINC001234468434 943851668 /nfs/dbraw/zinc/85/16/68/943851668.db2.gz ZJKZNQQHFOOSQK-CHWSQXEVSA-N 1 2 293.411 1.010 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CC1 ZINC001234468434 943851674 /nfs/dbraw/zinc/85/16/74/943851674.db2.gz ZJKZNQQHFOOSQK-CHWSQXEVSA-N 1 2 293.411 1.010 20 30 CDEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@H+]3CCCC#N)cc1C#N ZINC001277943535 944150761 /nfs/dbraw/zinc/15/07/61/944150761.db2.gz XZOMYCAAJAGZTK-IYBDPMFKSA-N 1 2 283.379 1.459 20 30 CDEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+]3CCCC#N)cc1C#N ZINC001277943535 944150763 /nfs/dbraw/zinc/15/07/63/944150763.db2.gz XZOMYCAAJAGZTK-IYBDPMFKSA-N 1 2 283.379 1.459 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1nnc(C2CC2)[nH]1 ZINC001235451308 944160255 /nfs/dbraw/zinc/16/02/55/944160255.db2.gz GOYCGDFSNIMINY-UHFFFAOYSA-N 1 2 291.399 1.586 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1nnc(C2CC2)[nH]1 ZINC001235451308 944160259 /nfs/dbraw/zinc/16/02/59/944160259.db2.gz GOYCGDFSNIMINY-UHFFFAOYSA-N 1 2 291.399 1.586 20 30 CDEDLO C=CCS(=O)(=O)NCC1CCN(c2cccc[nH+]2)CC1 ZINC001259934598 945723016 /nfs/dbraw/zinc/72/30/16/945723016.db2.gz VNDJVPUKIKNZTE-UHFFFAOYSA-N 1 2 295.408 1.403 20 30 CDEDLO COC(=O)c1ccc(-c2cc[nH+]c(N)c2)cc1C#N ZINC001241162872 946174418 /nfs/dbraw/zinc/17/44/18/946174418.db2.gz JUYFWMBFCQAWJE-UHFFFAOYSA-N 1 2 253.261 1.989 20 30 CDEDLO N#Cc1ccc(CNC(=O)NCc2ccc[nH+]c2N)cc1F ZINC001478823081 971251045 /nfs/dbraw/zinc/25/10/45/971251045.db2.gz NZCOACZFFPSWRC-UHFFFAOYSA-N 1 2 299.309 1.674 20 30 CDEDLO COC(=O)c1c[nH]c2nc(-c3cnc(C#N)c(C)c3)[nH+]cc21 ZINC001242353460 946691280 /nfs/dbraw/zinc/69/12/80/946691280.db2.gz HZMRIPQFMMKRBT-UHFFFAOYSA-N 1 2 293.286 1.938 20 30 CDEDLO C=C[C@@H]1C[C@]1([NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1)C(=O)OCC ZINC001254929341 947657493 /nfs/dbraw/zinc/65/74/93/947657493.db2.gz RGXBFMGBXOFWDK-QCPCCJPKSA-N 1 2 277.364 1.842 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H]2CN(S(C)(=O)=O)C[C@@H]21 ZINC001255170724 947764447 /nfs/dbraw/zinc/76/44/47/947764447.db2.gz WXKJMWHKFRPTRN-AGIUHOORSA-N 1 2 285.413 1.034 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@@H]2CN(S(C)(=O)=O)C[C@@H]21 ZINC001255170724 947764452 /nfs/dbraw/zinc/76/44/52/947764452.db2.gz WXKJMWHKFRPTRN-AGIUHOORSA-N 1 2 285.413 1.034 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CC[C@H](Oc2nccc(C)n2)C1 ZINC001255176869 947766090 /nfs/dbraw/zinc/76/60/90/947766090.db2.gz HLAHXJJYQIVBMI-OLZOCXBDSA-N 1 2 260.341 1.930 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CC[C@H](Oc2nccc(C)n2)C1 ZINC001255176869 947766097 /nfs/dbraw/zinc/76/60/97/947766097.db2.gz HLAHXJJYQIVBMI-OLZOCXBDSA-N 1 2 260.341 1.930 20 30 CDEDLO C=CCCCNC(=S)NCCc1cn(C)c[nH+]1 ZINC001247765410 948763289 /nfs/dbraw/zinc/76/32/89/948763289.db2.gz PMAVUXBQQJTFIF-UHFFFAOYSA-N 1 2 252.387 1.393 20 30 CDEDLO C=CC[C@H]([NH3+])c1nc(-c2cccc(S(C)(=O)=O)c2)no1 ZINC001247966902 948899876 /nfs/dbraw/zinc/89/98/76/948899876.db2.gz IPLREQJQTHYLQM-NSHDSACASA-N 1 2 293.348 1.716 20 30 CDEDLO N#Cc1ccn2ncc(C[N@@H+]3CCO[C@@]4(CCOC4)C3)c2c1 ZINC001249086483 949378672 /nfs/dbraw/zinc/37/86/72/949378672.db2.gz FIGFADUSWMWCQX-INIZCTEOSA-N 1 2 298.346 1.197 20 30 CDEDLO N#Cc1ccn2ncc(C[N@H+]3CCO[C@@]4(CCOC4)C3)c2c1 ZINC001249086483 949378693 /nfs/dbraw/zinc/37/86/93/949378693.db2.gz FIGFADUSWMWCQX-INIZCTEOSA-N 1 2 298.346 1.197 20 30 CDEDLO C#CCOC[C@H](O)C[NH2+][C@H](C(=O)OC(C)(C)C)C(C)(C)C ZINC001251900265 950938251 /nfs/dbraw/zinc/93/82/51/950938251.db2.gz MQHZMCOERLMKNO-CHWSQXEVSA-N 1 2 299.411 1.343 20 30 CDEDLO C=C[C@H](O)C[N@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC001253584914 951974803 /nfs/dbraw/zinc/97/48/03/951974803.db2.gz SLGDAUPZMRRROE-KBPBESRZSA-N 1 2 261.321 1.133 20 30 CDEDLO C=C[C@H](O)C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC001253584914 951974805 /nfs/dbraw/zinc/97/48/05/951974805.db2.gz SLGDAUPZMRRROE-KBPBESRZSA-N 1 2 261.321 1.133 20 30 CDEDLO Cc1cc(C)c(CNC(=O)N2CCO[C@H](C#N)C2)c[nH+]1 ZINC001364298844 954439337 /nfs/dbraw/zinc/43/93/37/954439337.db2.gz VDZCCJBRSQNHTN-CYBMUJFWSA-N 1 2 274.324 1.132 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C(C)(C)F)C1 ZINC001329953876 956200755 /nfs/dbraw/zinc/20/07/55/956200755.db2.gz QKDGWJOYJOPGLG-VIFPVBQESA-N 1 2 262.756 1.924 20 30 CDEDLO C#CC1(O)C[NH+](CCCc2ccc3c(c2)CCO3)C1 ZINC001308967852 956606906 /nfs/dbraw/zinc/60/69/06/956606906.db2.gz KXLIWVUNYDRMCF-UHFFFAOYSA-N 1 2 257.333 1.234 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@@H]2CCCO2)C1 ZINC001366956036 957299597 /nfs/dbraw/zinc/29/95/97/957299597.db2.gz CUGFHBGINHYEMO-LBPRGKRZSA-N 1 2 272.776 1.356 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)CC1CC1 ZINC001319728472 958702665 /nfs/dbraw/zinc/70/26/65/958702665.db2.gz IAUCKSSXYWAKNE-UHFFFAOYSA-N 1 2 277.389 1.935 20 30 CDEDLO C#CC[N@H+](Cc1ccc(S(C)(=O)=O)cc1)CC1CC1 ZINC001319728472 958702680 /nfs/dbraw/zinc/70/26/80/958702680.db2.gz IAUCKSSXYWAKNE-UHFFFAOYSA-N 1 2 277.389 1.935 20 30 CDEDLO C=CC[C@@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C(=O)OCC ZINC001320420257 959157967 /nfs/dbraw/zinc/15/79/67/959157967.db2.gz LYUKPDNWXPWJPI-GHMZBOCLSA-N 1 2 265.313 1.068 20 30 CDEDLO C#CCNC(=O)c1ccccc1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001338193375 961684976 /nfs/dbraw/zinc/68/49/76/961684976.db2.gz CVLFBHBQXXFUFR-LBPRGKRZSA-N 1 2 296.330 1.446 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccc(=O)n(C)c1 ZINC001419981204 962327239 /nfs/dbraw/zinc/32/72/39/962327239.db2.gz NMELWGWHHBAZIO-UHFFFAOYSA-N 1 2 297.786 1.142 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccc(=O)n(C)c1 ZINC001419981204 962327258 /nfs/dbraw/zinc/32/72/58/962327258.db2.gz NMELWGWHHBAZIO-UHFFFAOYSA-N 1 2 297.786 1.142 20 30 CDEDLO C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)C[C@H](C)C#N ZINC001340492151 962964721 /nfs/dbraw/zinc/96/47/21/962964721.db2.gz PTHBTHDFOQKFJO-CHWSQXEVSA-N 1 2 288.399 1.827 20 30 CDEDLO C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N(C)C[C@H](C)C#N ZINC001340492151 962964735 /nfs/dbraw/zinc/96/47/35/962964735.db2.gz PTHBTHDFOQKFJO-CHWSQXEVSA-N 1 2 288.399 1.827 20 30 CDEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1C ZINC001341798009 963545226 /nfs/dbraw/zinc/54/52/26/963545226.db2.gz RUULBRBUUMMPDS-CHWSQXEVSA-N 1 2 291.399 1.055 20 30 CDEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1C ZINC001341798009 963545230 /nfs/dbraw/zinc/54/52/30/963545230.db2.gz RUULBRBUUMMPDS-CHWSQXEVSA-N 1 2 291.399 1.055 20 30 CDEDLO C#CCN(C)c1nnc([C@@H]2CCCC[N@@H+]2C)n1CC1CC1 ZINC001346838827 965274021 /nfs/dbraw/zinc/27/40/21/965274021.db2.gz MUFMCBPLFDKKQG-AWEZNQCLSA-N 1 2 287.411 1.914 20 30 CDEDLO C#CCN(C)c1nnc([C@@H]2CCCC[N@H+]2C)n1CC1CC1 ZINC001346838827 965274033 /nfs/dbraw/zinc/27/40/33/965274033.db2.gz MUFMCBPLFDKKQG-AWEZNQCLSA-N 1 2 287.411 1.914 20 30 CDEDLO C#C[C@@H](NC(=O)CCc1[nH+]ccn1C)c1ccccc1 ZINC001347193455 965414534 /nfs/dbraw/zinc/41/45/34/965414534.db2.gz COXIBYHVOOWGDC-CQSZACIVSA-N 1 2 267.332 1.843 20 30 CDEDLO C=CC[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C(=O)OCC ZINC001350958578 966811855 /nfs/dbraw/zinc/81/18/55/966811855.db2.gz ZZMVUGJBURXPQK-WCQYABFASA-N 1 2 291.351 1.070 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)N1CCC[C@H](CC#N)C1 ZINC001352424312 967256614 /nfs/dbraw/zinc/25/66/14/967256614.db2.gz UXSKEOVTIXDDRT-GFCCVEGCSA-N 1 2 260.341 1.505 20 30 CDEDLO N#CC1(C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)CC1 ZINC001352899332 967544133 /nfs/dbraw/zinc/54/41/33/967544133.db2.gz QWGGWEOLKRDXRH-CYBMUJFWSA-N 1 2 261.369 1.767 20 30 CDEDLO N#CC1(C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)CC1 ZINC001352899332 967544143 /nfs/dbraw/zinc/54/41/43/967544143.db2.gz QWGGWEOLKRDXRH-CYBMUJFWSA-N 1 2 261.369 1.767 20 30 CDEDLO N#CC1(C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)CC1 ZINC001352899334 967548182 /nfs/dbraw/zinc/54/81/82/967548182.db2.gz QWGGWEOLKRDXRH-ZDUSSCGKSA-N 1 2 261.369 1.767 20 30 CDEDLO N#CC1(C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)CC1 ZINC001352899334 967548165 /nfs/dbraw/zinc/54/81/65/967548165.db2.gz QWGGWEOLKRDXRH-ZDUSSCGKSA-N 1 2 261.369 1.767 20 30 CDEDLO C=CCNC(=S)NCc1c[nH+]c2ccc(F)cn12 ZINC001200302868 967893340 /nfs/dbraw/zinc/89/33/40/967893340.db2.gz OSHPGJRVLVCZED-UHFFFAOYSA-N 1 2 264.329 1.624 20 30 CDEDLO C#CC[NH2+]CC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC001353526363 968046259 /nfs/dbraw/zinc/04/62/59/968046259.db2.gz KPGAKWCGHPGFBX-UHFFFAOYSA-N 1 2 282.347 1.992 20 30 CDEDLO C=CCC[NH2+]C1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001100347798 968081855 /nfs/dbraw/zinc/08/18/55/968081855.db2.gz PAYVTGJYLFYSIF-RTBKNWGFSA-N 1 2 282.281 1.947 20 30 CDEDLO C=CCC[NH2+]C1CC(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001100347798 968081865 /nfs/dbraw/zinc/08/18/65/968081865.db2.gz PAYVTGJYLFYSIF-RTBKNWGFSA-N 1 2 282.281 1.947 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2nccc(C)n2)CC1 ZINC001002693072 968997351 /nfs/dbraw/zinc/99/73/51/968997351.db2.gz MQCJKBKHRACJOH-UHFFFAOYSA-N 1 2 294.786 1.732 20 30 CDEDLO N#CCOc1cccc(CNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001465084755 969842604 /nfs/dbraw/zinc/84/26/04/969842604.db2.gz UPBUTOGMMWZDAW-UHFFFAOYSA-N 1 2 270.292 1.171 20 30 CDEDLO COc1ncccc1C[N@H+](C)CCN(C)C(=O)[C@H](C)C#N ZINC001496679742 973038103 /nfs/dbraw/zinc/03/81/03/973038103.db2.gz MPRYPMWQRRHLGJ-GFCCVEGCSA-N 1 2 290.367 1.140 20 30 CDEDLO COc1ncccc1C[N@@H+](C)CCN(C)C(=O)[C@H](C)C#N ZINC001496679742 973038114 /nfs/dbraw/zinc/03/81/14/973038114.db2.gz MPRYPMWQRRHLGJ-GFCCVEGCSA-N 1 2 290.367 1.140 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)c1[nH]nnc1C ZINC001502359583 974724532 /nfs/dbraw/zinc/72/45/32/974724532.db2.gz ATPUACLICZTERI-UHFFFAOYSA-N 1 2 285.779 1.260 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)c1[nH]nnc1C ZINC001502359583 974724536 /nfs/dbraw/zinc/72/45/36/974724536.db2.gz ATPUACLICZTERI-UHFFFAOYSA-N 1 2 285.779 1.260 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2nonc2C)C1 ZINC001506665894 975200573 /nfs/dbraw/zinc/20/05/73/975200573.db2.gz CFDZGSQAXRUQLX-SECBINFHSA-N 1 2 298.774 1.110 20 30 CDEDLO COCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001405056184 975610633 /nfs/dbraw/zinc/61/06/33/975610633.db2.gz XLMPFECLCSRAEE-CYBMUJFWSA-N 1 2 291.326 1.034 20 30 CDEDLO COCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001405056184 975610644 /nfs/dbraw/zinc/61/06/44/975610644.db2.gz XLMPFECLCSRAEE-CYBMUJFWSA-N 1 2 291.326 1.034 20 30 CDEDLO C[N@H+](CCNC(=O)C(F)C(F)(F)F)CCC(F)(F)F ZINC001390773721 976496080 /nfs/dbraw/zinc/49/60/80/976496080.db2.gz WSHDYVNNYUMDDB-LURJTMIESA-N 1 2 298.202 1.887 20 30 CDEDLO C[N@@H+](CCNC(=O)C(F)C(F)(F)F)CCC(F)(F)F ZINC001390773721 976496085 /nfs/dbraw/zinc/49/60/85/976496085.db2.gz WSHDYVNNYUMDDB-LURJTMIESA-N 1 2 298.202 1.887 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1c[nH]cn1 ZINC001391064457 976671596 /nfs/dbraw/zinc/67/15/96/976671596.db2.gz DEFIBBDMIIPMEX-LBPRGKRZSA-N 1 2 282.775 1.285 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)Cc1c[nH]cn1 ZINC001391064457 976671605 /nfs/dbraw/zinc/67/16/05/976671605.db2.gz DEFIBBDMIIPMEX-LBPRGKRZSA-N 1 2 282.775 1.285 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnc(C)cn1 ZINC001403112412 976727421 /nfs/dbraw/zinc/72/74/21/976727421.db2.gz KDMAQOPWMROMLY-NSHDSACASA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnc(C)cn1 ZINC001403112412 976727431 /nfs/dbraw/zinc/72/74/31/976727431.db2.gz KDMAQOPWMROMLY-NSHDSACASA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)COCC)C1 ZINC001391628222 977001910 /nfs/dbraw/zinc/00/19/10/977001910.db2.gz NMKZORILFXVVKD-LBPRGKRZSA-N 1 2 274.792 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)COCC)C1 ZINC001391628222 977001915 /nfs/dbraw/zinc/00/19/15/977001915.db2.gz NMKZORILFXVVKD-LBPRGKRZSA-N 1 2 274.792 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)NC(=O)CC ZINC001392278650 977382081 /nfs/dbraw/zinc/38/20/81/977382081.db2.gz WJJWIWSCFYFERG-LLVKDONJSA-N 1 2 289.807 1.044 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](C)NC(=O)CC ZINC001392278650 977382086 /nfs/dbraw/zinc/38/20/86/977382086.db2.gz WJJWIWSCFYFERG-LLVKDONJSA-N 1 2 289.807 1.044 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)C2(F)CCCCC2)CC1 ZINC000810202777 1163185610 /nfs/dbraw/zinc/18/56/10/1163185610.db2.gz OQXGZOWDQHNBJA-UHFFFAOYSA-N 1 2 266.360 1.826 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)/C=C/c1ccccc1C#N ZINC000810754287 1163292359 /nfs/dbraw/zinc/29/23/59/1163292359.db2.gz WNEFWLNZDXNFPT-VOTSOKGWSA-N 1 2 266.304 1.621 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]Cc1cnsn1 ZINC001132653085 1163416057 /nfs/dbraw/zinc/41/60/57/1163416057.db2.gz DTZATUKXPKZRON-SNVBAGLBSA-N 1 2 268.386 1.346 20 30 CDEDLO COc1cc(C)nc(N=NCc2c[nH+]c(N(C)C)n2C)n1 ZINC000811643452 1163510350 /nfs/dbraw/zinc/51/03/50/1163510350.db2.gz DGVZRTTXVSFKCV-UHFFFAOYSA-N 1 2 289.343 1.039 20 30 CDEDLO C=CCC1(C(=O)NCC[NH2+]Cc2nncs2)CCC1 ZINC001133395546 1163672076 /nfs/dbraw/zinc/67/20/76/1163672076.db2.gz OZFQNMINOYJIDF-UHFFFAOYSA-N 1 2 280.397 1.490 20 30 CDEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(C)=O ZINC001570189497 1170107263 /nfs/dbraw/zinc/10/72/63/1170107263.db2.gz ZFYPYBYCHLFSCX-UHFFFAOYSA-N 1 2 263.179 1.695 20 30 CDEDLO C=C(Br)C[N@H+](C)CCCN(C)C(C)=O ZINC001570189497 1170107268 /nfs/dbraw/zinc/10/72/68/1170107268.db2.gz ZFYPYBYCHLFSCX-UHFFFAOYSA-N 1 2 263.179 1.695 20 30 CDEDLO C=C(C)CONC(=O)[C@@]1(c2ccccc2)C[C@H]([NH3+])C1 ZINC001574844560 1171023194 /nfs/dbraw/zinc/02/31/94/1171023194.db2.gz RANSBEOXCYOIMU-CTYIDZIISA-N 1 2 260.337 1.669 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](CC)Cc1cnn[nH]1 ZINC001575087899 1171109580 /nfs/dbraw/zinc/10/95/80/1171109580.db2.gz PSUTZTCIBLYJGR-UHFFFAOYSA-N 1 2 265.361 1.099 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](CC)Cc1cnn[nH]1 ZINC001575087899 1171109585 /nfs/dbraw/zinc/10/95/85/1171109585.db2.gz PSUTZTCIBLYJGR-UHFFFAOYSA-N 1 2 265.361 1.099 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](CC)Cc1c[nH]nn1 ZINC001575087899 1171109590 /nfs/dbraw/zinc/10/95/90/1171109590.db2.gz PSUTZTCIBLYJGR-UHFFFAOYSA-N 1 2 265.361 1.099 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](CC)Cc1c[nH]nn1 ZINC001575087899 1171109593 /nfs/dbraw/zinc/10/95/93/1171109593.db2.gz PSUTZTCIBLYJGR-UHFFFAOYSA-N 1 2 265.361 1.099 20 30 CDEDLO C=CCCOCC(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000600227263 341987425 /nfs/dbraw/zinc/98/74/25/341987425.db2.gz MOUVJTYZPUDTDD-UHFFFAOYSA-N 1 2 273.336 1.852 20 30 CDEDLO CCOC(=O)c1cnn(Cc2ccc[nH+]c2C)c1C#N ZINC000589256178 342502582 /nfs/dbraw/zinc/50/25/82/342502582.db2.gz QUJUITZVBZKGMR-UHFFFAOYSA-N 1 2 270.292 1.683 20 30 CDEDLO N#Cc1cccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000589462015 342506887 /nfs/dbraw/zinc/50/68/87/342506887.db2.gz XLUODIHZTXYIEJ-CQSZACIVSA-N 1 2 294.314 1.642 20 30 CDEDLO C=C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)C(=O)OC ZINC000589655686 342511229 /nfs/dbraw/zinc/51/12/29/342511229.db2.gz GNMJONMFUKZPSB-TZMCWYRMSA-N 1 2 292.354 1.969 20 30 CDEDLO N#C[C@@H](c1ccccc1)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000178868297 342532794 /nfs/dbraw/zinc/53/27/94/342532794.db2.gz REOBEWQXWZJGNW-INIZCTEOSA-N 1 2 281.363 1.792 20 30 CDEDLO N#C[C@@H](c1ccccc1)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000178868297 342532795 /nfs/dbraw/zinc/53/27/95/342532795.db2.gz REOBEWQXWZJGNW-INIZCTEOSA-N 1 2 281.363 1.792 20 30 CDEDLO COC(=O)c1ccc2[nH]c(C[NH2+][C@@H](C)CC#N)nc2c1 ZINC000601227814 342534553 /nfs/dbraw/zinc/53/45/53/342534553.db2.gz WLCVBGNEXMTVRR-VIFPVBQESA-N 1 2 272.308 1.741 20 30 CDEDLO C=CC[NH+]1CCC(Nc2cc[nH+]c(C(=O)[O-])c2)CC1 ZINC000650766628 398189870 /nfs/dbraw/zinc/18/98/70/398189870.db2.gz QNGFUFPSXDWXFR-UHFFFAOYSA-N 1 2 261.325 1.264 20 30 CDEDLO CCC(C#N)(CC)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000599250050 343988738 /nfs/dbraw/zinc/98/87/38/343988738.db2.gz INPWNEHDZLKXLG-LBPRGKRZSA-N 1 2 267.373 1.153 20 30 CDEDLO CCC(C#N)(CC)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000599250050 343988739 /nfs/dbraw/zinc/98/87/39/343988739.db2.gz INPWNEHDZLKXLG-LBPRGKRZSA-N 1 2 267.373 1.153 20 30 CDEDLO C#CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000026028839 342054399 /nfs/dbraw/zinc/05/43/99/342054399.db2.gz AVCDNNFRDKZIOA-UHFFFAOYSA-N 1 2 290.279 1.258 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000590747467 342587119 /nfs/dbraw/zinc/58/71/19/342587119.db2.gz IYOBPAZYOIVTKK-NEPJUHHUSA-N 1 2 282.384 1.328 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000590747467 342587120 /nfs/dbraw/zinc/58/71/20/342587120.db2.gz IYOBPAZYOIVTKK-NEPJUHHUSA-N 1 2 282.384 1.328 20 30 CDEDLO CC[N@H+](CC(=O)N(C)C)Cc1cc(C#N)ccc1F ZINC000048335102 342084727 /nfs/dbraw/zinc/08/47/27/342084727.db2.gz JJTLLSNQZRQYPI-UHFFFAOYSA-N 1 2 263.316 1.607 20 30 CDEDLO CC[N@@H+](CC(=O)N(C)C)Cc1cc(C#N)ccc1F ZINC000048335102 342084728 /nfs/dbraw/zinc/08/47/28/342084728.db2.gz JJTLLSNQZRQYPI-UHFFFAOYSA-N 1 2 263.316 1.607 20 30 CDEDLO N#Cc1cccc(CC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000590872780 342604215 /nfs/dbraw/zinc/60/42/15/342604215.db2.gz DMLDIGMUZVGGCY-IYBDPMFKSA-N 1 2 299.374 1.080 20 30 CDEDLO N#Cc1cccc(CC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000590872780 342604216 /nfs/dbraw/zinc/60/42/16/342604216.db2.gz DMLDIGMUZVGGCY-IYBDPMFKSA-N 1 2 299.374 1.080 20 30 CDEDLO CN(C)c1ccc(CNC(=O)c2ccc(C#N)cn2)c[nH+]1 ZINC000609344395 342103475 /nfs/dbraw/zinc/10/34/75/342103475.db2.gz OQBIGLAUOYWGOY-UHFFFAOYSA-N 1 2 281.319 1.344 20 30 CDEDLO C[C@@H](C#N)CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611627026 346832957 /nfs/dbraw/zinc/83/29/57/346832957.db2.gz SIWWWEXZGVVKNT-RYUDHWBXSA-N 1 2 261.329 1.389 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NCC2CCCCC2)C1 ZINC000592148596 342668344 /nfs/dbraw/zinc/66/83/44/342668344.db2.gz XIKPQVQKIOCEJJ-OAHLLOKOSA-N 1 2 279.384 1.033 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NCC2CCCCC2)C1 ZINC000592148596 342668345 /nfs/dbraw/zinc/66/83/45/342668345.db2.gz XIKPQVQKIOCEJJ-OAHLLOKOSA-N 1 2 279.384 1.033 20 30 CDEDLO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152122 342669240 /nfs/dbraw/zinc/66/92/40/342669240.db2.gz UFVILNXDBRFCIL-MFKMUULPSA-N 1 2 254.330 1.067 20 30 CDEDLO C[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152122 342669241 /nfs/dbraw/zinc/66/92/41/342669241.db2.gz UFVILNXDBRFCIL-MFKMUULPSA-N 1 2 254.330 1.067 20 30 CDEDLO COc1cccc(C[N@@H+]2CC[C@](O)(CC#N)C2)c1F ZINC000592522872 342702281 /nfs/dbraw/zinc/70/22/81/342702281.db2.gz SEMPGMTXJZSKSU-CQSZACIVSA-N 1 2 264.300 1.685 20 30 CDEDLO COc1cccc(C[N@H+]2CC[C@](O)(CC#N)C2)c1F ZINC000592522872 342702282 /nfs/dbraw/zinc/70/22/82/342702282.db2.gz SEMPGMTXJZSKSU-CQSZACIVSA-N 1 2 264.300 1.685 20 30 CDEDLO N#Cc1csc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000157086295 342178353 /nfs/dbraw/zinc/17/83/53/342178353.db2.gz NIKMDYAEVXXEDE-GFCCVEGCSA-N 1 2 296.417 1.771 20 30 CDEDLO N#Cc1csc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000157086295 342178354 /nfs/dbraw/zinc/17/83/54/342178354.db2.gz NIKMDYAEVXXEDE-GFCCVEGCSA-N 1 2 296.417 1.771 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCOc1ccccc1 ZINC000593156141 342774361 /nfs/dbraw/zinc/77/43/61/342774361.db2.gz IOWMJSZSSIESLT-HNNXBMFYSA-N 1 2 275.352 1.416 20 30 CDEDLO CC[C@H](C#N)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000593416892 342799603 /nfs/dbraw/zinc/79/96/03/342799603.db2.gz CSUOHNIOTQMULO-LLVKDONJSA-N 1 2 256.309 1.809 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000594009469 342863153 /nfs/dbraw/zinc/86/31/53/342863153.db2.gz SHWWURYGSLWAQS-GFCCVEGCSA-N 1 2 266.366 1.742 20 30 CDEDLO Cc1noc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)n1 ZINC000594054823 342872878 /nfs/dbraw/zinc/87/28/78/342872878.db2.gz XCYQKTSWOATDSU-UHFFFAOYSA-N 1 2 299.334 1.710 20 30 CDEDLO Cc1noc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)n1 ZINC000594054823 342872879 /nfs/dbraw/zinc/87/28/79/342872879.db2.gz XCYQKTSWOATDSU-UHFFFAOYSA-N 1 2 299.334 1.710 20 30 CDEDLO C=CCCn1cc(C[NH+]2CCC(C(=O)OC)CC2)nn1 ZINC000593940800 342859527 /nfs/dbraw/zinc/85/95/27/342859527.db2.gz CEMOHVMZQDPUCE-UHFFFAOYSA-N 1 2 278.356 1.239 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(C#N)cc1 ZINC000594226112 342883203 /nfs/dbraw/zinc/88/32/03/342883203.db2.gz APGOAWVYHKYBTD-LLVKDONJSA-N 1 2 268.320 1.776 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(C#N)cc1 ZINC000594226112 342883205 /nfs/dbraw/zinc/88/32/05/342883205.db2.gz APGOAWVYHKYBTD-LLVKDONJSA-N 1 2 268.320 1.776 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@](C)(C#N)C1 ZINC000594339130 342890737 /nfs/dbraw/zinc/89/07/37/342890737.db2.gz MGMXDJQWRUYYKL-FZMZJTMJSA-N 1 2 260.341 1.741 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@](C)(C#N)C1 ZINC000594339130 342890738 /nfs/dbraw/zinc/89/07/38/342890738.db2.gz MGMXDJQWRUYYKL-FZMZJTMJSA-N 1 2 260.341 1.741 20 30 CDEDLO Cc1noc(C[N@H+](C)CCOc2ccccc2C#N)n1 ZINC000609389871 342270172 /nfs/dbraw/zinc/27/01/72/342270172.db2.gz MXJSRCBPCLKECX-UHFFFAOYSA-N 1 2 272.308 1.761 20 30 CDEDLO Cc1noc(C[N@@H+](C)CCOc2ccccc2C#N)n1 ZINC000609389871 342270173 /nfs/dbraw/zinc/27/01/73/342270173.db2.gz MXJSRCBPCLKECX-UHFFFAOYSA-N 1 2 272.308 1.761 20 30 CDEDLO CC(C)n1cc[nH+]c1CNc1n[nH]c(C2CC2)c1C#N ZINC000594946767 342981096 /nfs/dbraw/zinc/98/10/96/342981096.db2.gz REIOTUDYIPWRHA-UHFFFAOYSA-N 1 2 270.340 1.970 20 30 CDEDLO CC(C)=CCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000595331842 343037279 /nfs/dbraw/zinc/03/72/79/343037279.db2.gz FMFZOMUOVLZHQR-UHFFFAOYSA-N 1 2 265.401 1.891 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000595398850 343048006 /nfs/dbraw/zinc/04/80/06/343048006.db2.gz ADLVFQKLNSUFOF-RISCZKNCSA-N 1 2 277.372 1.284 20 30 CDEDLO CC[C@@](COC)([NH2+]CCc1ccc(C#N)cc1)C(=O)OC ZINC000595531838 343090525 /nfs/dbraw/zinc/09/05/25/343090525.db2.gz YQKMZBWOZLXJLI-INIZCTEOSA-N 1 2 290.363 1.659 20 30 CDEDLO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611864 343108994 /nfs/dbraw/zinc/10/89/94/343108994.db2.gz OBMCJBNVTYVSSG-UWVGGRQHSA-N 1 2 277.290 1.679 20 30 CDEDLO C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611864 343108997 /nfs/dbraw/zinc/10/89/97/343108997.db2.gz OBMCJBNVTYVSSG-UWVGGRQHSA-N 1 2 277.290 1.679 20 30 CDEDLO Cn1cc(C[N@H+](C)Cc2ccc(F)c(C#N)c2)nn1 ZINC000595757816 343143303 /nfs/dbraw/zinc/14/33/03/343143303.db2.gz HZVJVYCZQZANRF-UHFFFAOYSA-N 1 2 259.288 1.458 20 30 CDEDLO Cn1cc(C[N@@H+](C)Cc2ccc(F)c(C#N)c2)nn1 ZINC000595757816 343143305 /nfs/dbraw/zinc/14/33/05/343143305.db2.gz HZVJVYCZQZANRF-UHFFFAOYSA-N 1 2 259.288 1.458 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595830585 343168816 /nfs/dbraw/zinc/16/88/16/343168816.db2.gz IDDPBEOROIVJRF-ZIAGYGMSSA-N 1 2 261.321 1.867 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595830585 343168817 /nfs/dbraw/zinc/16/88/17/343168817.db2.gz IDDPBEOROIVJRF-ZIAGYGMSSA-N 1 2 261.321 1.867 20 30 CDEDLO Cn1ncc(C#N)c1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000596068130 343224907 /nfs/dbraw/zinc/22/49/07/343224907.db2.gz UTOJGRYQZJZFHS-UHFFFAOYSA-N 1 2 282.351 1.899 20 30 CDEDLO Cn1ncc(C#N)c1NCc1ccc[nH+]c1N1CCOCC1 ZINC000596073997 343225889 /nfs/dbraw/zinc/22/58/89/343225889.db2.gz WIWXKILLJYWHLF-UHFFFAOYSA-N 1 2 298.350 1.135 20 30 CDEDLO C[C@@H]1CCN(c2cc(C#N)cnn2)C[C@H]1n1cc[nH+]c1 ZINC000596158206 343255354 /nfs/dbraw/zinc/25/53/54/343255354.db2.gz UAJVESFMLJGNQY-DGCLKSJQSA-N 1 2 268.324 1.632 20 30 CDEDLO N#CCN1CCC([NH2+][C@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000588954214 342382508 /nfs/dbraw/zinc/38/25/08/342382508.db2.gz BWKBXWACJFFHLY-HNNXBMFYSA-N 1 2 296.378 1.472 20 30 CDEDLO CCc1nc(C#N)cc(NCCc2cc[nH+]cc2C)n1 ZINC000596174892 343260384 /nfs/dbraw/zinc/26/03/84/343260384.db2.gz NXKACURFLZJSSA-UHFFFAOYSA-N 1 2 267.336 1.691 20 30 CDEDLO C[C@@H](O)CNc1cc(NCCc2ccc(C#N)cc2)[nH+]cn1 ZINC000596320454 343302170 /nfs/dbraw/zinc/30/21/70/343302170.db2.gz NHOBBEZZEVMVKJ-GFCCVEGCSA-N 1 2 297.362 1.217 20 30 CDEDLO C[C@@H](O)CNc1cc(NCCc2ccc(C#N)cc2)nc[nH+]1 ZINC000596320454 343302172 /nfs/dbraw/zinc/30/21/72/343302172.db2.gz NHOBBEZZEVMVKJ-GFCCVEGCSA-N 1 2 297.362 1.217 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCC1(CC#N)CC1 ZINC000596587637 343355822 /nfs/dbraw/zinc/35/58/22/343355822.db2.gz OJJCWVKWZASEHD-OLZOCXBDSA-N 1 2 294.399 1.089 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCC1(CC#N)CC1 ZINC000596587637 343355824 /nfs/dbraw/zinc/35/58/24/343355824.db2.gz OJJCWVKWZASEHD-OLZOCXBDSA-N 1 2 294.399 1.089 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCOCC2(CC2)C1 ZINC000330287300 362207389 /nfs/dbraw/zinc/20/73/89/362207389.db2.gz CGTJDAODLFGEIN-GFCCVEGCSA-N 1 2 290.367 1.224 20 30 CDEDLO Cc1cn2ccc(NC(=O)NC[C@H](C)C#N)cc2[nH+]1 ZINC000597126030 343460063 /nfs/dbraw/zinc/46/00/63/343460063.db2.gz BOBRHFQPYRYSLG-SECBINFHSA-N 1 2 257.297 1.924 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(CC#N)CC1 ZINC000597609894 343586703 /nfs/dbraw/zinc/58/67/03/343586703.db2.gz GGGARXVAICJFEM-GHMZBOCLSA-N 1 2 258.325 1.334 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CCCC#N)C(C)(C)CO ZINC000597846366 343652695 /nfs/dbraw/zinc/65/26/95/343652695.db2.gz KYEQVKOWWUPPGK-GFCCVEGCSA-N 1 2 278.356 1.290 20 30 CDEDLO CC(C)(C(=O)N1CCC[C@H](CC#N)C1)[NH+]1CCOCC1 ZINC000597902910 343666189 /nfs/dbraw/zinc/66/61/89/343666189.db2.gz FGAUYIFEXYQFDG-CYBMUJFWSA-N 1 2 279.384 1.249 20 30 CDEDLO CN(C)c1[nH+]cccc1NC(=O)c1ccc(C#N)[nH]1 ZINC000160441537 529814901 /nfs/dbraw/zinc/81/49/01/529814901.db2.gz PEGYXUOLJCTUAZ-UHFFFAOYSA-N 1 2 255.281 1.600 20 30 CDEDLO C[C@@H](C#N)N(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000598131851 343722954 /nfs/dbraw/zinc/72/29/54/343722954.db2.gz NIGHSVGIIKWROS-WDEREUQCSA-N 1 2 258.325 1.349 20 30 CDEDLO CC[C@H](C#N)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000598339871 343769817 /nfs/dbraw/zinc/76/98/17/343769817.db2.gz BTSAAYSJQUFBNX-CQSZACIVSA-N 1 2 279.384 1.107 20 30 CDEDLO CC[C@@H](C#N)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000598339866 343769841 /nfs/dbraw/zinc/76/98/41/343769841.db2.gz BTSAAYSJQUFBNX-AWEZNQCLSA-N 1 2 279.384 1.107 20 30 CDEDLO C=C[C@H]([NH2+][C@@H]1C[C@H](OC)C1(CC)CC)C(=O)OC ZINC000619703317 349859861 /nfs/dbraw/zinc/85/98/61/349859861.db2.gz JEDMQAWGBKCKPR-TUAOUCFPSA-N 1 2 255.358 1.897 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](CCC(=O)OCC)C1 ZINC000619719859 349869820 /nfs/dbraw/zinc/86/98/20/349869820.db2.gz IOGWYMMHVQFIAA-STQMWFEESA-N 1 2 283.368 1.769 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](CCC(=O)OCC)C1 ZINC000619719859 349869824 /nfs/dbraw/zinc/86/98/24/349869824.db2.gz IOGWYMMHVQFIAA-STQMWFEESA-N 1 2 283.368 1.769 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(c2cc(C)[nH]n2)CC1 ZINC000619720165 349870217 /nfs/dbraw/zinc/87/02/17/349870217.db2.gz JXIXUAITGNGYRD-CYBMUJFWSA-N 1 2 263.341 1.625 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(c2cc(C)n[nH]2)CC1 ZINC000619720165 349870222 /nfs/dbraw/zinc/87/02/22/349870222.db2.gz JXIXUAITGNGYRD-CYBMUJFWSA-N 1 2 263.341 1.625 20 30 CDEDLO N#Cc1cc(NC[C@H]2CCC[N@H+]2CC(F)F)ccn1 ZINC000599134568 343958048 /nfs/dbraw/zinc/95/80/48/343958048.db2.gz WYLBJAAMYIUDJE-GFCCVEGCSA-N 1 2 266.295 1.517 20 30 CDEDLO N#Cc1cc(NC[C@H]2CCC[N@@H+]2CC(F)F)ccn1 ZINC000599134568 343958049 /nfs/dbraw/zinc/95/80/49/343958049.db2.gz WYLBJAAMYIUDJE-GFCCVEGCSA-N 1 2 266.295 1.517 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)[C@H](C)CO1 ZINC000330300721 362332294 /nfs/dbraw/zinc/33/22/94/362332294.db2.gz NJTLOJUSKBYPIM-IJLUTSLNSA-N 1 2 278.356 1.221 20 30 CDEDLO C[C@@H](NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000599455178 344057746 /nfs/dbraw/zinc/05/77/46/344057746.db2.gz IIRXYTZNBNQLRH-CJNGLKHVSA-N 1 2 287.363 1.214 20 30 CDEDLO C[C@@H](NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000599455178 344057749 /nfs/dbraw/zinc/05/77/49/344057749.db2.gz IIRXYTZNBNQLRH-CJNGLKHVSA-N 1 2 287.363 1.214 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CC1(C)COC1 ZINC000599571535 344089895 /nfs/dbraw/zinc/08/98/95/344089895.db2.gz KMIWWYNPJVZKHW-AWEZNQCLSA-N 1 2 288.347 1.741 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CC1(C)COC1 ZINC000599571535 344089897 /nfs/dbraw/zinc/08/98/97/344089897.db2.gz KMIWWYNPJVZKHW-AWEZNQCLSA-N 1 2 288.347 1.741 20 30 CDEDLO C[C@@H](CCC#N)C[NH2+]Cc1nnnn1-c1ccccc1 ZINC000602527873 344454801 /nfs/dbraw/zinc/45/48/01/344454801.db2.gz IBCICNVBTLSGFN-LBPRGKRZSA-N 1 2 270.340 1.692 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)NCCc1cccs1 ZINC000602860658 344616862 /nfs/dbraw/zinc/61/68/62/344616862.db2.gz DBFCPTKIQGFMSJ-QWRGUYRKSA-N 1 2 265.382 1.687 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)NCC1CCCCC1 ZINC000602863736 344637723 /nfs/dbraw/zinc/63/77/23/344637723.db2.gz POIZVSDCUZIGJZ-RYUDHWBXSA-N 1 2 251.374 1.963 20 30 CDEDLO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](C)CC#N)c1 ZINC000602864115 344637736 /nfs/dbraw/zinc/63/77/36/344637736.db2.gz QTRHRSZIJOCKGI-SNVBAGLBSA-N 1 2 277.324 1.534 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000602865676 344638223 /nfs/dbraw/zinc/63/82/23/344638223.db2.gz XKBZACJTYGQADP-LOWDOPEQSA-N 1 2 251.374 1.962 20 30 CDEDLO CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000602864604 344638259 /nfs/dbraw/zinc/63/82/59/344638259.db2.gz SCUGKSKDRIDXNX-GHMZBOCLSA-N 1 2 263.345 1.683 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(Cl)cn1 ZINC000602869815 344640712 /nfs/dbraw/zinc/64/07/12/344640712.db2.gz PDCPEUJVPWFETJ-QMMMGPOBSA-N 1 2 252.705 1.565 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)NCC1(CC#N)CC1 ZINC000331550650 530027383 /nfs/dbraw/zinc/02/73/83/530027383.db2.gz YXJQRIVGOCQBDY-UHFFFAOYSA-N 1 2 261.329 1.255 20 30 CDEDLO CC(C)(C#N)CCn1cc[nH+]c1CN1CCOCC1 ZINC000603421772 344800051 /nfs/dbraw/zinc/80/00/51/344800051.db2.gz ZWGGZNWRZDWEBK-UHFFFAOYSA-N 1 2 262.357 1.655 20 30 CDEDLO CCNC(=O)CO[NH+]=C(N)c1cccc(Cl)c1 ZINC000050513978 345021003 /nfs/dbraw/zinc/02/10/03/345021003.db2.gz FCWRKZUTVAKSCC-UHFFFAOYSA-N 1 2 255.705 1.113 20 30 CDEDLO CCOc1cc(C[NH+]2CCN(CC#N)CC2)ccc1O ZINC000284034576 345405500 /nfs/dbraw/zinc/40/55/00/345405500.db2.gz LKNURFMEQHDQAA-UHFFFAOYSA-N 1 2 275.352 1.432 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc(CC#N)cc1 ZINC000340166402 345402861 /nfs/dbraw/zinc/40/28/61/345402861.db2.gz IOSBUYCKKUVCIV-UHFFFAOYSA-N 1 2 254.293 1.748 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+](C)CC(=O)N(C)C ZINC000120573357 362584612 /nfs/dbraw/zinc/58/46/12/362584612.db2.gz HHCZXPFEHSAAHK-UHFFFAOYSA-N 1 2 261.325 1.087 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+](C)CC(=O)N(C)C ZINC000120573357 362584616 /nfs/dbraw/zinc/58/46/16/362584616.db2.gz HHCZXPFEHSAAHK-UHFFFAOYSA-N 1 2 261.325 1.087 20 30 CDEDLO N#Cc1cc(C(=O)NCCn2cc[nH+]c2)ccc1Cl ZINC000542703613 362588381 /nfs/dbraw/zinc/58/83/81/362588381.db2.gz WFRMUGXPZQSPEK-UHFFFAOYSA-N 1 2 274.711 1.838 20 30 CDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NCCCCNc1cccc[nH+]1 ZINC000448913862 362606003 /nfs/dbraw/zinc/60/60/03/362606003.db2.gz UCVJNFXBGMMGGK-DOMZBBRYSA-N 1 2 272.352 1.940 20 30 CDEDLO C=CCN(C(=O)CCc1c[nH+]cn1C)[C@@H](C)COC ZINC000617582298 345867692 /nfs/dbraw/zinc/86/76/92/345867692.db2.gz KFJCBSNJLDACEI-LBPRGKRZSA-N 1 2 265.357 1.402 20 30 CDEDLO C=CCC1(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)CCC1 ZINC000617725898 345930763 /nfs/dbraw/zinc/93/07/63/345930763.db2.gz QGRHFEKTLPJILK-ZIAGYGMSSA-N 1 2 280.412 1.958 20 30 CDEDLO C=CCC1(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)CCC1 ZINC000617725898 345930765 /nfs/dbraw/zinc/93/07/65/345930765.db2.gz QGRHFEKTLPJILK-ZIAGYGMSSA-N 1 2 280.412 1.958 20 30 CDEDLO N#CCN(C(=O)c1ccc(-n2cc[nH+]c2)nn1)C1CCCC1 ZINC000609994926 346055509 /nfs/dbraw/zinc/05/55/09/346055509.db2.gz BKTZNUXAYRHVIE-UHFFFAOYSA-N 1 2 296.334 1.571 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CCCCC#N)CCO1 ZINC000610450522 346284952 /nfs/dbraw/zinc/28/49/52/346284952.db2.gz IUXPASGTYBFSNU-LBPRGKRZSA-N 1 2 268.357 1.723 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCCCC#N)CCO1 ZINC000610450522 346284954 /nfs/dbraw/zinc/28/49/54/346284954.db2.gz IUXPASGTYBFSNU-LBPRGKRZSA-N 1 2 268.357 1.723 20 30 CDEDLO Cc1ccnc(NCC[N@@H+]2CCOCC2(C)C)c1C#N ZINC000273285006 192099483 /nfs/dbraw/zinc/09/94/83/192099483.db2.gz DQRAEMDAZRTYFY-UHFFFAOYSA-N 1 2 274.368 1.784 20 30 CDEDLO Cc1ccnc(NCC[N@H+]2CCOCC2(C)C)c1C#N ZINC000273285006 192099484 /nfs/dbraw/zinc/09/94/84/192099484.db2.gz DQRAEMDAZRTYFY-UHFFFAOYSA-N 1 2 274.368 1.784 20 30 CDEDLO COCC[N@H+](CCC#N)C[C@@H](O)COc1ccccc1 ZINC000610391976 346269443 /nfs/dbraw/zinc/26/94/43/346269443.db2.gz QUHOIQMMRJFUOZ-CQSZACIVSA-N 1 2 278.352 1.288 20 30 CDEDLO COCC[N@@H+](CCC#N)C[C@@H](O)COc1ccccc1 ZINC000610391976 346269446 /nfs/dbraw/zinc/26/94/46/346269446.db2.gz QUHOIQMMRJFUOZ-CQSZACIVSA-N 1 2 278.352 1.288 20 30 CDEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000610930426 346492777 /nfs/dbraw/zinc/49/27/77/346492777.db2.gz XQIUVNWXDJLVNK-MRXNPFEDSA-N 1 2 281.363 1.792 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2ccc(C)cn2)nn1 ZINC000641765078 365826540 /nfs/dbraw/zinc/82/65/40/365826540.db2.gz RGQAHZMDJUGWKI-UHFFFAOYSA-N 1 2 257.341 1.847 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1)[NH+]1CCN(CCC#N)CC1 ZINC000611174768 346627916 /nfs/dbraw/zinc/62/79/16/346627916.db2.gz PYHDRPMRQVHAKR-CQSZACIVSA-N 1 2 286.379 1.545 20 30 CDEDLO Cn1c[nH+]c2c1CCN(Cc1cccc(C#N)c1F)C2 ZINC000611371665 346770695 /nfs/dbraw/zinc/77/06/95/346770695.db2.gz CJSYUGLGDXSEIO-UHFFFAOYSA-N 1 2 270.311 1.989 20 30 CDEDLO CN(CCO)c1ccc(N[C@@H]2CC[C@H](C#N)C2)[nH+]c1 ZINC000619673417 347725850 /nfs/dbraw/zinc/72/58/50/347725850.db2.gz JHUFJGKNGBUMGX-NWDGAFQWSA-N 1 2 260.341 1.614 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000355140527 365938724 /nfs/dbraw/zinc/93/87/24/365938724.db2.gz VVCBGWRDAXOOEO-MGPQQGTHSA-N 1 2 284.400 1.193 20 30 CDEDLO Cc1cc(F)ccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414119221 362926820 /nfs/dbraw/zinc/92/68/20/362926820.db2.gz CNLLDOKFBQYNLT-ZDUSSCGKSA-N 1 2 266.316 1.719 20 30 CDEDLO Cc1cc(F)ccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414119221 362926827 /nfs/dbraw/zinc/92/68/27/362926827.db2.gz CNLLDOKFBQYNLT-ZDUSSCGKSA-N 1 2 266.316 1.719 20 30 CDEDLO CC[C@@H](NC(=O)c1cc(O)cc(C#N)c1)c1[nH]cc[nH+]1 ZINC000615434948 348508620 /nfs/dbraw/zinc/50/86/20/348508620.db2.gz WFBNEQXQTSDAOV-GFCCVEGCSA-N 1 2 270.292 1.868 20 30 CDEDLO N#C[C@]1(F)CCN(C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000615540351 348580146 /nfs/dbraw/zinc/58/01/46/348580146.db2.gz SLLGTPIRJRBDRW-CQSZACIVSA-N 1 2 291.330 1.531 20 30 CDEDLO O=C(NCC#Cc1ccccc1)NCCCn1cc[nH+]c1 ZINC000047597911 348813523 /nfs/dbraw/zinc/81/35/23/348813523.db2.gz DBMPSVNKTJLZBX-UHFFFAOYSA-N 1 2 282.347 1.624 20 30 CDEDLO C=CCC1(NC(=O)Cc2[nH]c[nH+]c2C)CCOCC1 ZINC000618250991 349416255 /nfs/dbraw/zinc/41/62/55/349416255.db2.gz YCSBZGWAMGNNNJ-UHFFFAOYSA-N 1 2 263.341 1.502 20 30 CDEDLO C=CCC1(NC(=O)Cc2[nH+]c[nH]c2C)CCOCC1 ZINC000618250991 349416258 /nfs/dbraw/zinc/41/62/58/349416258.db2.gz YCSBZGWAMGNNNJ-UHFFFAOYSA-N 1 2 263.341 1.502 20 30 CDEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cccc(C#N)n1 ZINC000602469582 350111187 /nfs/dbraw/zinc/11/11/87/350111187.db2.gz UUMDYIXYQASGGV-MNOVXSKESA-N 1 2 281.381 1.207 20 30 CDEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602469582 350111188 /nfs/dbraw/zinc/11/11/88/350111188.db2.gz UUMDYIXYQASGGV-MNOVXSKESA-N 1 2 281.381 1.207 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1cccc(C#N)n1)C[C@@H](C)O2 ZINC000602644531 350135980 /nfs/dbraw/zinc/13/59/80/350135980.db2.gz SUOUIOKPDJRMCQ-WWGRRREGSA-N 1 2 287.363 1.722 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cccc(C#N)n1)C[C@@H](C)O2 ZINC000602644531 350135981 /nfs/dbraw/zinc/13/59/81/350135981.db2.gz SUOUIOKPDJRMCQ-WWGRRREGSA-N 1 2 287.363 1.722 20 30 CDEDLO N#Cc1ccc(Cn2cc(CC[NH+]3CCOCC3)nn2)cc1 ZINC000603160115 350221175 /nfs/dbraw/zinc/22/11/75/350221175.db2.gz GKENQMXUABSIGZ-UHFFFAOYSA-N 1 2 297.362 1.073 20 30 CDEDLO C=CCOc1cccnc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620603275 350277188 /nfs/dbraw/zinc/27/71/88/350277188.db2.gz GKWUGYHSKOSDGD-LLVKDONJSA-N 1 2 286.335 1.871 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091893273 180281473 /nfs/dbraw/zinc/28/14/73/180281473.db2.gz KHNGEWYKSJDINS-NSHDSACASA-N 1 2 260.312 1.322 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCc2cc(F)ccc2C1 ZINC000091893273 180281474 /nfs/dbraw/zinc/28/14/74/180281474.db2.gz KHNGEWYKSJDINS-NSHDSACASA-N 1 2 260.312 1.322 20 30 CDEDLO N#Cc1ccc2c(c1)N(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC000281229420 351458875 /nfs/dbraw/zinc/45/88/75/351458875.db2.gz OTROMDZDHRPJGS-UHFFFAOYSA-N 1 2 266.304 1.803 20 30 CDEDLO N#Cc1ccc2c(c1)N(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC000281229420 351458877 /nfs/dbraw/zinc/45/88/77/351458877.db2.gz OTROMDZDHRPJGS-UHFFFAOYSA-N 1 2 266.304 1.803 20 30 CDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cnccc1C#N ZINC000286176085 288527607 /nfs/dbraw/zinc/52/76/07/288527607.db2.gz AFCPJIVQBSJHAN-TZMCWYRMSA-N 1 2 272.352 1.253 20 30 CDEDLO Cc1nc(NC[C@H]2C[N@H+](C)CCO2)c(Cl)cc1C#N ZINC000292517063 198317719 /nfs/dbraw/zinc/31/77/19/198317719.db2.gz GTQUEEZWCVRFEY-NSHDSACASA-N 1 2 280.759 1.658 20 30 CDEDLO Cc1nc(NC[C@H]2C[N@@H+](C)CCO2)c(Cl)cc1C#N ZINC000292517063 198317720 /nfs/dbraw/zinc/31/77/20/198317720.db2.gz GTQUEEZWCVRFEY-NSHDSACASA-N 1 2 280.759 1.658 20 30 CDEDLO C=C(C)CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000156193994 188249026 /nfs/dbraw/zinc/24/90/26/188249026.db2.gz GBLGXESKOGMGIV-UHFFFAOYSA-N 1 2 258.325 1.752 20 30 CDEDLO CCC[C@@](C)([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C(=O)OC ZINC000156446074 188262332 /nfs/dbraw/zinc/26/23/32/188262332.db2.gz KXUSRTLXFKGQPY-GDBMZVCRSA-N 1 2 290.363 1.913 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000157235441 188305202 /nfs/dbraw/zinc/30/52/02/188305202.db2.gz HXJULKFBBNQBFU-DOMZBBRYSA-N 1 2 290.363 1.539 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000157235441 188305203 /nfs/dbraw/zinc/30/52/03/188305203.db2.gz HXJULKFBBNQBFU-DOMZBBRYSA-N 1 2 290.363 1.539 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCOC[C@H]1C ZINC000157559056 188324979 /nfs/dbraw/zinc/32/49/79/188324979.db2.gz DJAIXVJAQLXPCZ-GFCCVEGCSA-N 1 2 276.336 1.666 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCOC[C@H]1C ZINC000157559056 188324980 /nfs/dbraw/zinc/32/49/80/188324980.db2.gz DJAIXVJAQLXPCZ-GFCCVEGCSA-N 1 2 276.336 1.666 20 30 CDEDLO C=CC1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000336287094 363297296 /nfs/dbraw/zinc/29/72/96/363297296.db2.gz AJNWUDIAWDCFGR-ZDUSSCGKSA-N 1 2 265.401 1.047 20 30 CDEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCCC#N)C1 ZINC000331139951 412602221 /nfs/dbraw/zinc/60/22/21/412602221.db2.gz JWAXZTQSCWPPPZ-GFCCVEGCSA-N 1 2 275.356 1.502 20 30 CDEDLO N#Cc1cccc(CNC(=O)CCn2cc[nH+]c2)c1 ZINC000336816521 356283531 /nfs/dbraw/zinc/28/35/31/356283531.db2.gz MIXZWXIUGQZLBZ-UHFFFAOYSA-N 1 2 254.293 1.461 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c1 ZINC000168538801 283151119 /nfs/dbraw/zinc/15/11/19/283151119.db2.gz IVUAGPWQLBKZIW-CYBMUJFWSA-N 1 2 273.311 1.504 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)c1 ZINC000168538801 283151121 /nfs/dbraw/zinc/15/11/21/283151121.db2.gz IVUAGPWQLBKZIW-CYBMUJFWSA-N 1 2 273.311 1.504 20 30 CDEDLO C=CCn1c(C)nnc1SCC[N@@H+]1CCO[C@@H](C)C1 ZINC000188229475 356361029 /nfs/dbraw/zinc/36/10/29/356361029.db2.gz FRCOSMGTDZZQBX-NSHDSACASA-N 1 2 282.413 1.585 20 30 CDEDLO C=CCn1c(C)nnc1SCC[N@H+]1CCO[C@@H](C)C1 ZINC000188229475 356361031 /nfs/dbraw/zinc/36/10/31/356361031.db2.gz FRCOSMGTDZZQBX-NSHDSACASA-N 1 2 282.413 1.585 20 30 CDEDLO C=C(C)CN(C)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000180678753 356463253 /nfs/dbraw/zinc/46/32/53/356463253.db2.gz WRHUHFQPKRJZHH-UHFFFAOYSA-N 1 2 263.297 1.063 20 30 CDEDLO C=CCN(CC(F)(F)F)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493378822 366323487 /nfs/dbraw/zinc/32/34/87/366323487.db2.gz CMSKUXSPEIKEPO-ARJAWSKDSA-N 1 2 259.231 2.000 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1cncc(F)c1 ZINC000493438266 366370244 /nfs/dbraw/zinc/37/02/44/366370244.db2.gz XPODULOMEITCLE-NNTXTVRGSA-N 1 2 276.315 1.194 20 30 CDEDLO C[C@H](NC(=O)N1CCn2cc[nH+]c2C1)c1cccnc1 ZINC000329833785 538693825 /nfs/dbraw/zinc/69/38/25/538693825.db2.gz KWVQDBZIPQWYNZ-NSHDSACASA-N 1 2 271.324 1.769 20 30 CDEDLO N#CCN1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000180009861 357235546 /nfs/dbraw/zinc/23/55/46/357235546.db2.gz IPGYFBOGAHJEJB-UHFFFAOYSA-N 1 2 265.744 1.687 20 30 CDEDLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000185113303 357510646 /nfs/dbraw/zinc/51/06/46/357510646.db2.gz BUDHSGGJEWIDKM-HOGDKLEQSA-N 1 2 299.421 1.257 20 30 CDEDLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000185113303 357510652 /nfs/dbraw/zinc/51/06/52/357510652.db2.gz BUDHSGGJEWIDKM-HOGDKLEQSA-N 1 2 299.421 1.257 20 30 CDEDLO COC(=O)C(C)(C)[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000066496144 357569843 /nfs/dbraw/zinc/56/98/43/357569843.db2.gz UBQQNUFYBAYJKI-UHFFFAOYSA-N 1 2 289.335 1.428 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000185175026 357518389 /nfs/dbraw/zinc/51/83/89/357518389.db2.gz AJRKRVMDCXSXEM-OAHLLOKOSA-N 1 2 276.311 1.689 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000185175026 357518390 /nfs/dbraw/zinc/51/83/90/357518390.db2.gz AJRKRVMDCXSXEM-OAHLLOKOSA-N 1 2 276.311 1.689 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)c1cc(C#N)ccc1Cl ZINC000334500730 357597150 /nfs/dbraw/zinc/59/71/50/357597150.db2.gz MOQWRMZAFFKKII-UHFFFAOYSA-N 1 2 274.711 1.875 20 30 CDEDLO CC(C)N1C(=O)C[N@H+](Cc2cc(C#N)n(C)c2)CC1(C)C ZINC000334535297 357598595 /nfs/dbraw/zinc/59/85/95/357598595.db2.gz LXXDVMPAJCPVTM-UHFFFAOYSA-N 1 2 288.395 1.728 20 30 CDEDLO CC(C)N1C(=O)C[N@@H+](Cc2cc(C#N)n(C)c2)CC1(C)C ZINC000334535297 357598600 /nfs/dbraw/zinc/59/86/00/357598600.db2.gz LXXDVMPAJCPVTM-UHFFFAOYSA-N 1 2 288.395 1.728 20 30 CDEDLO CNC(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000335253788 357894908 /nfs/dbraw/zinc/89/49/08/357894908.db2.gz ZRXKEGJSMUHJQS-LBPRGKRZSA-N 1 2 276.315 1.201 20 30 CDEDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000335253788 357894912 /nfs/dbraw/zinc/89/49/12/357894912.db2.gz ZRXKEGJSMUHJQS-LBPRGKRZSA-N 1 2 276.315 1.201 20 30 CDEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000081300866 358122069 /nfs/dbraw/zinc/12/20/69/358122069.db2.gz YLZARRZABZLLPP-HNNXBMFYSA-N 1 2 287.363 1.572 20 30 CDEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000081300866 358122073 /nfs/dbraw/zinc/12/20/73/358122073.db2.gz YLZARRZABZLLPP-HNNXBMFYSA-N 1 2 287.363 1.572 20 30 CDEDLO Cc1nsc(N2CC[NH+](CCCC#N)CC2)n1 ZINC000081576987 358133222 /nfs/dbraw/zinc/13/32/22/358133222.db2.gz VWRASAKZFSLEQM-UHFFFAOYSA-N 1 2 251.359 1.272 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3ccc(C#N)c(C)n3)CC2)on1 ZINC000291730852 359102047 /nfs/dbraw/zinc/10/20/47/359102047.db2.gz XSJPLEFMEBFYQO-UHFFFAOYSA-N 1 2 297.362 1.880 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCc1[nH+]ccn1C)OCC ZINC000270020294 359389083 /nfs/dbraw/zinc/38/90/83/359389083.db2.gz DHOPWYMIBKYBAK-NSHDSACASA-N 1 2 251.330 1.408 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCCCN(C)c1ccccc1)C1CC1 ZINC000274221604 359496435 /nfs/dbraw/zinc/49/64/35/359496435.db2.gz VHGMAQXNCMWMDL-UHFFFAOYSA-N 1 2 299.418 1.727 20 30 CDEDLO C#CC[N@H+](CC(=O)NCCCN(C)c1ccccc1)C1CC1 ZINC000274221604 359496439 /nfs/dbraw/zinc/49/64/39/359496439.db2.gz VHGMAQXNCMWMDL-UHFFFAOYSA-N 1 2 299.418 1.727 20 30 CDEDLO C#CC[N@@H+](CC(=O)NC(=O)NCc1cccs1)C1CC1 ZINC000274122128 359492544 /nfs/dbraw/zinc/49/25/44/359492544.db2.gz GWOMFONWFIMDTE-UHFFFAOYSA-N 1 2 291.376 1.172 20 30 CDEDLO C#CC[N@H+](CC(=O)NC(=O)NCc1cccs1)C1CC1 ZINC000274122128 359492549 /nfs/dbraw/zinc/49/25/49/359492549.db2.gz GWOMFONWFIMDTE-UHFFFAOYSA-N 1 2 291.376 1.172 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000277630731 359568339 /nfs/dbraw/zinc/56/83/39/359568339.db2.gz XUFBCUPMIOBJAX-VLIAUNLRSA-N 1 2 291.416 1.899 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000277630731 359568344 /nfs/dbraw/zinc/56/83/44/359568344.db2.gz XUFBCUPMIOBJAX-VLIAUNLRSA-N 1 2 291.416 1.899 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2c[nH]nc2C)n1 ZINC000279432489 359585938 /nfs/dbraw/zinc/58/59/38/359585938.db2.gz QLIBPTVTMISNJO-UHFFFAOYSA-N 1 2 257.341 1.570 20 30 CDEDLO CC[C@H](C)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC(=O)OC ZINC000337239084 360041002 /nfs/dbraw/zinc/04/10/02/360041002.db2.gz MRAOAKQNSYZSRW-NHYWBVRUSA-N 1 2 295.383 1.068 20 30 CDEDLO CC[C@H](C)[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC(=O)OC ZINC000337239084 360041004 /nfs/dbraw/zinc/04/10/04/360041004.db2.gz MRAOAKQNSYZSRW-NHYWBVRUSA-N 1 2 295.383 1.068 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)c2ncc(C)o2)C1=O ZINC000337239935 360042230 /nfs/dbraw/zinc/04/22/30/360042230.db2.gz ZZFDORFHDBWQBR-VXGBXAGGSA-N 1 2 263.341 1.763 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)c2ncc(C)o2)C1=O ZINC000337239935 360042232 /nfs/dbraw/zinc/04/22/32/360042232.db2.gz ZZFDORFHDBWQBR-VXGBXAGGSA-N 1 2 263.341 1.763 20 30 CDEDLO CCN1CCN(C[C@H](C#N)CCC#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000348406253 360056656 /nfs/dbraw/zinc/05/66/56/360056656.db2.gz PAXWVWBKWPZKLF-KBPBESRZSA-N 1 2 286.383 1.532 20 30 CDEDLO N#CC1(C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)CCC1 ZINC000514840451 360236120 /nfs/dbraw/zinc/23/61/20/360236120.db2.gz JDMPGRDNJSRYGG-MCIONIFRSA-N 1 2 264.369 1.542 20 30 CDEDLO N#CC1(C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)CCC1 ZINC000514840451 360236125 /nfs/dbraw/zinc/23/61/25/360236125.db2.gz JDMPGRDNJSRYGG-MCIONIFRSA-N 1 2 264.369 1.542 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000424642892 360325954 /nfs/dbraw/zinc/32/59/54/360325954.db2.gz DWGKLSBVNSGXQD-ZDUSSCGKSA-N 1 2 267.417 1.341 20 30 CDEDLO C=CCO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000131617584 361118279 /nfs/dbraw/zinc/11/82/79/361118279.db2.gz YHRUDQAQWZCFGK-UHFFFAOYSA-N 1 2 260.341 1.895 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000432355135 361153913 /nfs/dbraw/zinc/15/39/13/361153913.db2.gz CKXXDZDBNGBHMT-UHFFFAOYSA-N 1 2 295.427 1.753 20 30 CDEDLO C=C(C)C[N@@H+](CC)Cc1nnnn1C1CCOCC1 ZINC000432945180 361201955 /nfs/dbraw/zinc/20/19/55/361201955.db2.gz QISISNYVWKSTAH-UHFFFAOYSA-N 1 2 265.361 1.423 20 30 CDEDLO C=C(C)C[N@H+](CC)Cc1nnnn1C1CCOCC1 ZINC000432945180 361201962 /nfs/dbraw/zinc/20/19/62/361201962.db2.gz QISISNYVWKSTAH-UHFFFAOYSA-N 1 2 265.361 1.423 20 30 CDEDLO COC[C@@H]1CC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000267626985 361234732 /nfs/dbraw/zinc/23/47/32/361234732.db2.gz RUAITPKGIYIDQN-UKRRQHHQSA-N 1 2 288.347 1.741 20 30 CDEDLO COC[C@@H]1CC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000267626985 361234736 /nfs/dbraw/zinc/23/47/36/361234736.db2.gz RUAITPKGIYIDQN-UKRRQHHQSA-N 1 2 288.347 1.741 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000191717915 361269275 /nfs/dbraw/zinc/26/92/75/361269275.db2.gz FWSRVCWWJLOPME-BXUZGUMPSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000191717915 361269280 /nfs/dbraw/zinc/26/92/80/361269280.db2.gz FWSRVCWWJLOPME-BXUZGUMPSA-N 1 2 276.336 1.148 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCCc1c[nH+]cn1C ZINC000527364317 361305446 /nfs/dbraw/zinc/30/54/46/361305446.db2.gz PQUJEGVJUMASRW-AWEZNQCLSA-N 1 2 265.357 1.308 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000159222482 361626269 /nfs/dbraw/zinc/62/62/69/361626269.db2.gz RCJRGARLIJAWTG-UHFFFAOYSA-N 1 2 290.338 1.372 20 30 CDEDLO N#Cc1ccc(NCc2ccc(N3CCCC3)[nH+]c2)nn1 ZINC000301856750 201236551 /nfs/dbraw/zinc/23/65/51/201236551.db2.gz ZFNLAKXAQOZRRH-UHFFFAOYSA-N 1 2 280.335 1.956 20 30 CDEDLO CO[C@@]1(CNC(=O)C2([NH+]3CCOCC3)CCC2)CCOC1 ZINC000329677089 361703283 /nfs/dbraw/zinc/70/32/83/361703283.db2.gz VAVBJEQGPYGPKC-CQSZACIVSA-N 1 2 298.383 1.003 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)c(Cl)c1 ZINC000581922731 364058018 /nfs/dbraw/zinc/05/80/18/364058018.db2.gz UAWFSOGKFYZEAY-UHFFFAOYSA-N 1 2 282.712 1.736 20 30 CDEDLO C#CC[NH+]1CCN(c2ncnc3c2cnn3C(C)(C)C)CC1 ZINC000301156532 364160679 /nfs/dbraw/zinc/16/06/79/364160679.db2.gz DGCYPWKGMJOSHK-UHFFFAOYSA-N 1 2 298.394 1.337 20 30 CDEDLO CCC[N@H+](CC(=O)NC)Cc1ccc(C#N)cc1F ZINC000042267551 364551833 /nfs/dbraw/zinc/55/18/33/364551833.db2.gz QVFXVDQHJQBBAS-UHFFFAOYSA-N 1 2 263.316 1.655 20 30 CDEDLO CCC[N@@H+](CC(=O)NC)Cc1ccc(C#N)cc1F ZINC000042267551 364551838 /nfs/dbraw/zinc/55/18/38/364551838.db2.gz QVFXVDQHJQBBAS-UHFFFAOYSA-N 1 2 263.316 1.655 20 30 CDEDLO Cn1nncc1CNc1[nH+]cccc1OCCCC#N ZINC000162241298 364594220 /nfs/dbraw/zinc/59/42/20/364594220.db2.gz VUFUXLSPXQVGCT-UHFFFAOYSA-N 1 2 272.312 1.505 20 30 CDEDLO C=CCCCCn1cc(C[N@@H+](C)CCOC)nn1 ZINC000640939439 364756174 /nfs/dbraw/zinc/75/61/74/364756174.db2.gz QLCSMDBPYKOKNJ-UHFFFAOYSA-N 1 2 252.362 1.713 20 30 CDEDLO C=CCCCCn1cc(C[N@H+](C)CCOC)nn1 ZINC000640939439 364756176 /nfs/dbraw/zinc/75/61/76/364756176.db2.gz QLCSMDBPYKOKNJ-UHFFFAOYSA-N 1 2 252.362 1.713 20 30 CDEDLO C[C@H](Nc1ncccc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000264316579 364935274 /nfs/dbraw/zinc/93/52/74/364935274.db2.gz UKNDTFPVOAQMQB-RYUDHWBXSA-N 1 2 260.341 1.474 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2oc(CC)nc2C)nn1 ZINC000641154295 365115184 /nfs/dbraw/zinc/11/51/84/365115184.db2.gz GHVXQAJEIICJBD-UHFFFAOYSA-N 1 2 273.340 1.298 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC(F)(C#N)CC1 ZINC000505766308 366994875 /nfs/dbraw/zinc/99/48/75/366994875.db2.gz NDXFDTNBVQPCGR-LLVKDONJSA-N 1 2 279.319 1.309 20 30 CDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCOc1ccccc1C#N ZINC000170633678 367023783 /nfs/dbraw/zinc/02/37/83/367023783.db2.gz QFQCIGRETDYMSW-UVARLRKDSA-N 1 2 292.404 1.778 20 30 CDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCOc1ccccc1C#N ZINC000170633678 367023791 /nfs/dbraw/zinc/02/37/91/367023791.db2.gz QFQCIGRETDYMSW-UVARLRKDSA-N 1 2 292.404 1.778 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000357789633 367209785 /nfs/dbraw/zinc/20/97/85/367209785.db2.gz DRMDEGFLMFUOAP-GWCFXTLKSA-N 1 2 286.310 1.924 20 30 CDEDLO C=CC[N@@H+](CCS(C)(=O)=O)Cc1ccc(OC)cc1 ZINC000054273065 367778566 /nfs/dbraw/zinc/77/85/66/367778566.db2.gz FREDVRKVVRSGBG-UHFFFAOYSA-N 1 2 283.393 1.728 20 30 CDEDLO C=CC[N@H+](CCS(C)(=O)=O)Cc1ccc(OC)cc1 ZINC000054273065 367778570 /nfs/dbraw/zinc/77/85/70/367778570.db2.gz FREDVRKVVRSGBG-UHFFFAOYSA-N 1 2 283.393 1.728 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@H](COCC)C1 ZINC000528724007 367953398 /nfs/dbraw/zinc/95/33/98/367953398.db2.gz WXSXOCMSLRBHNR-CABCVRRESA-N 1 2 296.411 1.313 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](COCC)C1 ZINC000528724007 367953405 /nfs/dbraw/zinc/95/34/05/367953405.db2.gz WXSXOCMSLRBHNR-CABCVRRESA-N 1 2 296.411 1.313 20 30 CDEDLO CC#CC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000283154826 368204783 /nfs/dbraw/zinc/20/47/83/368204783.db2.gz JPPYNXCHIFADGU-UHFFFAOYSA-N 1 2 260.312 1.493 20 30 CDEDLO C=C(C)[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)c1ccc(F)c(F)c1 ZINC000360612690 368392507 /nfs/dbraw/zinc/39/25/07/368392507.db2.gz KYIULTCKZLIJKM-ZDUSSCGKSA-N 1 2 294.305 1.794 20 30 CDEDLO CC#CCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000544581117 369073953 /nfs/dbraw/zinc/07/39/53/369073953.db2.gz DZTDWSHIVNCSOO-UHFFFAOYSA-N 1 2 255.321 1.715 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290976798 370118295 /nfs/dbraw/zinc/11/82/95/370118295.db2.gz UXUWVKBEFRONTE-CHWSQXEVSA-N 1 2 261.325 1.207 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccc2c(c1)CCC2 ZINC000564512535 370242170 /nfs/dbraw/zinc/24/21/70/370242170.db2.gz WEINOLAQJZOPMG-KRWDZBQOSA-N 1 2 285.391 1.678 20 30 CDEDLO C[C@@H](C#N)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000565416954 370441898 /nfs/dbraw/zinc/44/18/98/370441898.db2.gz KPWZHTITFWVESW-JTQLQIEISA-N 1 2 297.336 1.118 20 30 CDEDLO CO[C@H](CC(C)C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000567617798 371066563 /nfs/dbraw/zinc/06/65/63/371066563.db2.gz VCJPUCWXQQTUKE-YPMHNXCESA-N 1 2 255.362 1.008 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000568619750 371227452 /nfs/dbraw/zinc/22/74/52/371227452.db2.gz GRLYHJATNFFLAZ-GVXVVHGQSA-N 1 2 275.352 1.537 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000568619750 371227456 /nfs/dbraw/zinc/22/74/56/371227456.db2.gz GRLYHJATNFFLAZ-GVXVVHGQSA-N 1 2 275.352 1.537 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(CC#N)cc1 ZINC000573253887 371475637 /nfs/dbraw/zinc/47/56/37/371475637.db2.gz IQBWFCGDXLRQSM-OAHLLOKOSA-N 1 2 270.336 1.326 20 30 CDEDLO N#Cc1ccccc1OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090906194 372334667 /nfs/dbraw/zinc/33/46/67/372334667.db2.gz WGNZTWUBYRXWTB-OKILXGFUSA-N 1 2 258.321 1.800 20 30 CDEDLO N#Cc1ccccc1OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090906194 372334670 /nfs/dbraw/zinc/33/46/70/372334670.db2.gz WGNZTWUBYRXWTB-OKILXGFUSA-N 1 2 258.321 1.800 20 30 CDEDLO 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/nfs/dbraw/zinc/45/47/28/391454728.db2.gz DVXNCHQPHHYACM-LBPRGKRZSA-N 1 2 254.330 1.238 20 30 CDEDLO C=CCC[C@H](O)C[NH2+][C@H](C(=O)OCC)C1CCOCC1 ZINC000348780520 391455646 /nfs/dbraw/zinc/45/56/46/391455646.db2.gz ZUVXZZBWUCQUAJ-KBPBESRZSA-N 1 2 285.384 1.261 20 30 CDEDLO COc1ccccc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330622684 391460816 /nfs/dbraw/zinc/46/08/16/391460816.db2.gz OFZSEUJBGQZBDU-GFCCVEGCSA-N 1 2 278.352 1.721 20 30 CDEDLO COc1ccccc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330622684 391460818 /nfs/dbraw/zinc/46/08/18/391460818.db2.gz OFZSEUJBGQZBDU-GFCCVEGCSA-N 1 2 278.352 1.721 20 30 CDEDLO NC(=O)CCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000330392949 391413867 /nfs/dbraw/zinc/41/38/67/391413867.db2.gz PZGYYCFXXUZHAM-UHFFFAOYSA-N 1 2 279.344 1.191 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000366581273 391635299 /nfs/dbraw/zinc/63/52/99/391635299.db2.gz YVNXGOZNRNVMST-MNOVXSKESA-N 1 2 276.174 1.775 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000366581273 391635301 /nfs/dbraw/zinc/63/53/01/391635301.db2.gz YVNXGOZNRNVMST-MNOVXSKESA-N 1 2 276.174 1.775 20 30 CDEDLO N#CC1(F)CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000359358537 391591064 /nfs/dbraw/zinc/59/10/64/391591064.db2.gz IJLYEJVISWJXLR-SNVBAGLBSA-N 1 2 276.315 1.684 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2F)C1=O ZINC000281119761 391657120 /nfs/dbraw/zinc/65/71/20/391657120.db2.gz BZNLPGSLWUCYLO-OAHLLOKOSA-N 1 2 287.338 1.916 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1=O ZINC000281119761 391657122 /nfs/dbraw/zinc/65/71/22/391657122.db2.gz BZNLPGSLWUCYLO-OAHLLOKOSA-N 1 2 287.338 1.916 20 30 CDEDLO C=CCN1CC[C@H]([NH2+]C(C)(C)c2nccs2)C1=O ZINC000281948828 391665893 /nfs/dbraw/zinc/66/58/93/391665893.db2.gz JKYXAXWIACJFEB-JTQLQIEISA-N 1 2 265.382 1.755 20 30 CDEDLO C=C[C@H](C)NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000362380823 391722422 /nfs/dbraw/zinc/72/24/22/391722422.db2.gz SRJKZRXHIVVDFN-LBPRGKRZSA-N 1 2 290.367 1.292 20 30 CDEDLO CN(C[C@@H]1CCOC1)C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329732330 391766343 /nfs/dbraw/zinc/76/63/43/391766343.db2.gz QDOBBMGERLEKPO-QWRGUYRKSA-N 1 2 278.356 1.149 20 30 CDEDLO CN(C[C@@H]1CCOC1)C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329732330 391766348 /nfs/dbraw/zinc/76/63/48/391766348.db2.gz QDOBBMGERLEKPO-QWRGUYRKSA-N 1 2 278.356 1.149 20 30 CDEDLO CN(C)c1ccc(NCc2cc(C#N)n(C)c2)[nH+]c1 ZINC000191361560 130226330 /nfs/dbraw/zinc/22/63/30/130226330.db2.gz GKHOBPSPYSKGKR-UHFFFAOYSA-N 1 2 255.325 1.970 20 30 CDEDLO C[C@@H](c1nnnn1C)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000329917701 391798579 /nfs/dbraw/zinc/79/85/79/391798579.db2.gz ZLGYVAKJDSZMID-VIFPVBQESA-N 1 2 278.360 1.102 20 30 CDEDLO CC1(C)C[N@H+](CCOc2ccccc2C#N)C[C@@H](CO)O1 ZINC000163111829 391902157 /nfs/dbraw/zinc/90/21/57/391902157.db2.gz IWAMGTPXXJEENA-AWEZNQCLSA-N 1 2 290.363 1.409 20 30 CDEDLO CC1(C)C[N@@H+](CCOc2ccccc2C#N)C[C@@H](CO)O1 ZINC000163111829 391902162 /nfs/dbraw/zinc/90/21/62/391902162.db2.gz IWAMGTPXXJEENA-AWEZNQCLSA-N 1 2 290.363 1.409 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)s1 ZINC000245558227 391992086 /nfs/dbraw/zinc/99/20/86/391992086.db2.gz KKIQPQJBOILPMA-CHWSQXEVSA-N 1 2 275.377 1.863 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)s1 ZINC000245558227 391992094 /nfs/dbraw/zinc/99/20/94/391992094.db2.gz KKIQPQJBOILPMA-CHWSQXEVSA-N 1 2 275.377 1.863 20 30 CDEDLO C=CCCCCCN(C)C(=O)[C@H]1COCC[N@@H+]1C ZINC000345216469 392138306 /nfs/dbraw/zinc/13/83/06/392138306.db2.gz UEOAJSRYFXNCAN-CYBMUJFWSA-N 1 2 254.374 1.522 20 30 CDEDLO C=CCCCCCN(C)C(=O)[C@H]1COCC[N@H+]1C ZINC000345216469 392138309 /nfs/dbraw/zinc/13/83/09/392138309.db2.gz UEOAJSRYFXNCAN-CYBMUJFWSA-N 1 2 254.374 1.522 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000276218955 392162977 /nfs/dbraw/zinc/16/29/77/392162977.db2.gz XGFWBENNNHOHLH-INIZCTEOSA-N 1 2 295.427 1.259 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000276218955 392162984 /nfs/dbraw/zinc/16/29/84/392162984.db2.gz XGFWBENNNHOHLH-INIZCTEOSA-N 1 2 295.427 1.259 20 30 CDEDLO Cc1n[nH]cc1C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000459616036 392492660 /nfs/dbraw/zinc/49/26/60/392492660.db2.gz PYNQEGVTUAXUCS-UHFFFAOYSA-N 1 2 268.320 1.853 20 30 CDEDLO COc1cc(C[N@H+](C)[C@H](C)CS(C)(=O)=O)ccc1C#N ZINC000442884464 392505383 /nfs/dbraw/zinc/50/53/83/392505383.db2.gz KSRFUUOOSQRTMQ-LLVKDONJSA-N 1 2 296.392 1.432 20 30 CDEDLO COc1cc(C[N@@H+](C)[C@H](C)CS(C)(=O)=O)ccc1C#N ZINC000442884464 392505389 /nfs/dbraw/zinc/50/53/89/392505389.db2.gz KSRFUUOOSQRTMQ-LLVKDONJSA-N 1 2 296.392 1.432 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnnn1C ZINC000425364068 393019894 /nfs/dbraw/zinc/01/98/94/393019894.db2.gz DTORCUIUBMVOFQ-NSHDSACASA-N 1 2 255.325 1.880 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnnn1C ZINC000425364068 393019902 /nfs/dbraw/zinc/01/99/02/393019902.db2.gz DTORCUIUBMVOFQ-NSHDSACASA-N 1 2 255.325 1.880 20 30 CDEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H](C)C(C)(C)C)c1C#N ZINC000534057855 393091121 /nfs/dbraw/zinc/09/11/21/393091121.db2.gz ZHABIGIUMWWQDB-JTQLQIEISA-N 1 2 291.399 1.476 20 30 CDEDLO Cc1ccc2[nH+]c(Cn3c(N)nc(C#N)c3C#N)cn2c1 ZINC000193057281 393206651 /nfs/dbraw/zinc/20/66/51/393206651.db2.gz OKJJCRGZHNDUKK-UHFFFAOYSA-N 1 2 277.291 1.213 20 30 CDEDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1cc(C#N)ccn1 ZINC000493639854 393215833 /nfs/dbraw/zinc/21/58/33/393215833.db2.gz FQCZOAWOJMNHKQ-ARJAWSKDSA-N 1 2 267.292 1.822 20 30 CDEDLO C[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)C[C@@H](CO)O1 ZINC000229962570 140204486 /nfs/dbraw/zinc/20/44/86/140204486.db2.gz BKEHJSXJINAVJA-WFASDCNBSA-N 1 2 276.336 1.019 20 30 CDEDLO C[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)C[C@@H](CO)O1 ZINC000229962570 140204487 /nfs/dbraw/zinc/20/44/87/140204487.db2.gz BKEHJSXJINAVJA-WFASDCNBSA-N 1 2 276.336 1.019 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc3ccccc3n2)C1=O ZINC000660464669 413145509 /nfs/dbraw/zinc/14/55/09/413145509.db2.gz REEVRYBDZYMJLE-INIZCTEOSA-N 1 2 296.374 1.849 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc3ccccc3n2)C1=O ZINC000660464669 413145517 /nfs/dbraw/zinc/14/55/17/413145517.db2.gz REEVRYBDZYMJLE-INIZCTEOSA-N 1 2 296.374 1.849 20 30 CDEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000178534919 148067064 /nfs/dbraw/zinc/06/70/64/148067064.db2.gz DDDCMZVWOAUVHX-GFCCVEGCSA-N 1 2 297.362 1.715 20 30 CDEDLO N#Cc1cc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c[nH]1 ZINC000335785969 151018125 /nfs/dbraw/zinc/01/81/25/151018125.db2.gz FPTZPYALCXEOHY-NSHDSACASA-N 1 2 255.281 1.587 20 30 CDEDLO Cn1c[nH+]cc1Cc1noc(Cc2c(F)cccc2C#N)n1 ZINC000346952235 153357256 /nfs/dbraw/zinc/35/72/56/153357256.db2.gz XWMUWYCILMADLK-UHFFFAOYSA-N 1 2 297.293 1.995 20 30 CDEDLO N#Cc1ccc(CCC(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000359683731 158335101 /nfs/dbraw/zinc/33/51/01/158335101.db2.gz QFHCHOYTWSRBAF-UHFFFAOYSA-N 1 2 254.293 1.530 20 30 CDEDLO N#Cc1ccc(CCC(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000359683731 158335102 /nfs/dbraw/zinc/33/51/02/158335102.db2.gz QFHCHOYTWSRBAF-UHFFFAOYSA-N 1 2 254.293 1.530 20 30 CDEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1nccnc1C#N ZINC000372989471 160163685 /nfs/dbraw/zinc/16/36/85/160163685.db2.gz KLGUTGPDRGROIZ-UHFFFAOYSA-N 1 2 268.324 1.517 20 30 CDEDLO C=CCN1CC[C@@H]([NH2+][C@H](C)c2c(F)cncc2F)C1=O ZINC000285631821 196350055 /nfs/dbraw/zinc/35/00/55/196350055.db2.gz KVPOHCDRNBVMIR-BXKDBHETSA-N 1 2 281.306 1.797 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2cncc(C)c2)nn1 ZINC000657419366 414306228 /nfs/dbraw/zinc/30/62/28/414306228.db2.gz YZCBOPWCQQTCMP-UHFFFAOYSA-N 1 2 257.341 1.847 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ccnc(Cl)c2)CC1 ZINC000038105780 174121155 /nfs/dbraw/zinc/12/11/55/174121155.db2.gz QFBDNGQTCSNTHL-UHFFFAOYSA-N 1 2 263.728 1.126 20 30 CDEDLO C=CCOc1ccccc1C(=O)NCCn1cc[nH+]c1 ZINC000045196956 175326797 /nfs/dbraw/zinc/32/67/97/175326797.db2.gz ILWVDFSPRYHFNA-UHFFFAOYSA-N 1 2 271.320 1.878 20 30 CDEDLO C[C@@H](C#N)CN(C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000352750425 227206172 /nfs/dbraw/zinc/20/61/72/227206172.db2.gz WJZVVIQCWFIKAZ-LBPRGKRZSA-N 1 2 298.350 1.950 20 30 CDEDLO Cc1[nH+]c2ccccn2c1CN1CC(O)(CC#N)C1 ZINC000354930427 227246824 /nfs/dbraw/zinc/24/68/24/227246824.db2.gz XSXFPUYWUKKRAJ-UHFFFAOYSA-N 1 2 256.309 1.103 20 30 CDEDLO C[C@H](C(=O)NCc1noc(C2CC2)n1)[NH+]1CCSCC1 ZINC000329048985 227273607 /nfs/dbraw/zinc/27/36/07/227273607.db2.gz VXFMAJCNPVBFLE-SECBINFHSA-N 1 2 296.396 1.841 20 30 CDEDLO Cc1n[nH]c(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)n1 ZINC000329126816 227313784 /nfs/dbraw/zinc/31/37/84/227313784.db2.gz YRFPHTPCXWJTKI-NXEZZACHSA-N 1 2 265.361 1.485 20 30 CDEDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1csc(=O)[nH]1 ZINC000329967080 228001317 /nfs/dbraw/zinc/00/13/17/228001317.db2.gz WAARKHVUPDOFQL-LURJTMIESA-N 1 2 264.310 1.434 20 30 CDEDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1csc(=O)[nH]1 ZINC000329967080 228001318 /nfs/dbraw/zinc/00/13/18/228001318.db2.gz WAARKHVUPDOFQL-LURJTMIESA-N 1 2 264.310 1.434 20 30 CDEDLO O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000330028825 228021316 /nfs/dbraw/zinc/02/13/16/228021316.db2.gz PFXUUUSYRCUVNT-LLVKDONJSA-N 1 2 293.348 1.226 20 30 CDEDLO O=C(NC[C@H]1CCCC1=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000330084519 228035197 /nfs/dbraw/zinc/03/51/97/228035197.db2.gz LARKACBDFFNNNH-GHMZBOCLSA-N 1 2 261.325 1.771 20 30 CDEDLO Cc1nccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000330158637 228052563 /nfs/dbraw/zinc/05/25/63/228052563.db2.gz QFNBSYHZMUIZAW-UHFFFAOYSA-N 1 2 286.339 1.933 20 30 CDEDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000408080805 260218820 /nfs/dbraw/zinc/21/88/20/260218820.db2.gz CKOTXMIJIIVVQB-KBPBESRZSA-N 1 2 293.411 1.828 20 30 CDEDLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000408080805 260218822 /nfs/dbraw/zinc/21/88/22/260218822.db2.gz CKOTXMIJIIVVQB-KBPBESRZSA-N 1 2 293.411 1.828 20 30 CDEDLO Cc1ccc(/C(N)=[NH+]/OCc2nnnn2C2CC2)cc1F ZINC000077383743 260296353 /nfs/dbraw/zinc/29/63/53/260296353.db2.gz ASKZEHLBCSXPSB-UHFFFAOYSA-N 1 2 290.302 1.293 20 30 CDEDLO C=CCC1(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CCC1 ZINC000517799339 260307694 /nfs/dbraw/zinc/30/76/94/260307694.db2.gz XWDDQUTWSBEAMS-CYBMUJFWSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CCC1(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CCC1 ZINC000517799339 260307695 /nfs/dbraw/zinc/30/76/95/260307695.db2.gz XWDDQUTWSBEAMS-CYBMUJFWSA-N 1 2 266.385 1.570 20 30 CDEDLO Cc1ccc(C)c(NC(=O)[C@H](C)O[NH+]=C(N)CCO)c1 ZINC000136071813 260923187 /nfs/dbraw/zinc/92/31/87/260923187.db2.gz MMQXNZCEYCDMSY-NSHDSACASA-N 1 2 279.340 1.302 20 30 CDEDLO CCCO[NH+]=C(N)c1ccc(-n2nc(C)cc2C)nc1 ZINC000154525599 261092978 /nfs/dbraw/zinc/09/29/78/261092978.db2.gz ANYZCHGHDIOSCV-UHFFFAOYSA-N 1 2 273.340 1.931 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccc(O)c1 ZINC000154798996 261095083 /nfs/dbraw/zinc/09/50/83/261095083.db2.gz BCKKFZVKUVBRRR-UHFFFAOYSA-N 1 2 289.379 1.440 20 30 CDEDLO C#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)C(C)C ZINC000490635901 261175133 /nfs/dbraw/zinc/17/51/33/261175133.db2.gz JYFCRUFLWZZVQY-NSHDSACASA-N 1 2 269.308 1.050 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(C(C)=O)c2)CC1 ZINC000490778255 261206964 /nfs/dbraw/zinc/20/69/64/261206964.db2.gz CFNRYNOCYSELMS-UHFFFAOYSA-N 1 2 299.374 1.079 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C)c(F)c2)CC1 ZINC000490800053 261210595 /nfs/dbraw/zinc/21/05/95/261210595.db2.gz MRMXOGMDNDSAJR-UHFFFAOYSA-N 1 2 289.354 1.323 20 30 CDEDLO C#CCN(C(=O)NCC[N@H+]1CCOC[C@@H]1C)C1CCCC1 ZINC000490802793 261210673 /nfs/dbraw/zinc/21/06/73/261210673.db2.gz FWQBJBQOVKNLEJ-AWEZNQCLSA-N 1 2 293.411 1.295 20 30 CDEDLO C#CCN(C(=O)NCC[N@@H+]1CCOC[C@@H]1C)C1CCCC1 ZINC000490802793 261210674 /nfs/dbraw/zinc/21/06/74/261210674.db2.gz FWQBJBQOVKNLEJ-AWEZNQCLSA-N 1 2 293.411 1.295 20 30 CDEDLO Cc1cnc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)s1 ZINC000184997823 262036801 /nfs/dbraw/zinc/03/68/01/262036801.db2.gz JUCGGXQHVSACIP-IINYFYTJSA-N 1 2 292.408 1.911 20 30 CDEDLO N#CCNC(=O)C[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000108857486 262064946 /nfs/dbraw/zinc/06/49/46/262064946.db2.gz PVQZPMQBWJOKTI-ZDUSSCGKSA-N 1 2 286.360 1.462 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCC[C@@H]2CCCO2)cc1OC ZINC000189241002 262169581 /nfs/dbraw/zinc/16/95/81/262169581.db2.gz ZZDJDDRJUWIPDM-LBPRGKRZSA-N 1 2 294.351 1.910 20 30 CDEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(C)(C)C#N)CC1 ZINC000265221176 262905155 /nfs/dbraw/zinc/90/51/55/262905155.db2.gz GJPGQEQWXBWQDF-ZDUSSCGKSA-N 1 2 286.379 1.837 20 30 CDEDLO N#CCCCNc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000277908425 263044379 /nfs/dbraw/zinc/04/43/79/263044379.db2.gz UWGQDHUUWFYVEM-LBPRGKRZSA-N 1 2 275.356 1.543 20 30 CDEDLO N#CCCCNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000277908425 263044380 /nfs/dbraw/zinc/04/43/80/263044380.db2.gz UWGQDHUUWFYVEM-LBPRGKRZSA-N 1 2 275.356 1.543 20 30 CDEDLO N#Cc1ccccc1OCCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000283760899 263084138 /nfs/dbraw/zinc/08/41/38/263084138.db2.gz AYJVCSPMZAMEBX-ZDUSSCGKSA-N 1 2 275.308 1.405 20 30 CDEDLO NC(=[NH+]OCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000283965240 263085380 /nfs/dbraw/zinc/08/53/80/263085380.db2.gz GDNBZODROPLFOC-LLVKDONJSA-N 1 2 265.269 1.563 20 30 CDEDLO COc1ccc(OCCO[NH+]=C(N)[C@@H]2CCCO2)cc1 ZINC000284063705 263085767 /nfs/dbraw/zinc/08/57/67/263085767.db2.gz JTLMDCZHPDKNAI-ZDUSSCGKSA-N 1 2 280.324 1.542 20 30 CDEDLO NC(=[NH+]OCC(=O)Nc1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000284509674 263087023 /nfs/dbraw/zinc/08/70/23/263087023.db2.gz UAQHWWKQTKCVGE-LLVKDONJSA-N 1 2 297.742 1.746 20 30 CDEDLO C[C@@H](NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1)c1ccccc1 ZINC000284619355 263087627 /nfs/dbraw/zinc/08/76/27/263087627.db2.gz ZNUJVDDDLAJPPH-YPMHNXCESA-N 1 2 291.351 1.332 20 30 CDEDLO CC[C@H]1CN(CC#CC[N@@H+]2CCO[C@@H](CC)C2)CCO1 ZINC000341895773 263366418 /nfs/dbraw/zinc/36/64/18/263366418.db2.gz WXLHDMXFSOTFBS-HOTGVXAUSA-N 1 2 280.412 1.211 20 30 CDEDLO CC[C@H]1CN(CC#CC[N@H+]2CCO[C@@H](CC)C2)CCO1 ZINC000341895773 263366422 /nfs/dbraw/zinc/36/64/22/263366422.db2.gz WXLHDMXFSOTFBS-HOTGVXAUSA-N 1 2 280.412 1.211 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342175001 263392109 /nfs/dbraw/zinc/39/21/09/263392109.db2.gz FDTIYUSWEYBMJC-CYBMUJFWSA-N 1 2 285.347 1.787 20 30 CDEDLO C[C@@H]1[C@H](C)OCCN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328605102 263827887 /nfs/dbraw/zinc/82/78/87/263827887.db2.gz JEXNBCRVOVINEQ-AGIUHOORSA-N 1 2 292.383 1.784 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCn2cc[nH+]c2C1 ZINC000330775559 264034921 /nfs/dbraw/zinc/03/49/21/264034921.db2.gz HQSFEXWDYQLQDC-WFASDCNBSA-N 1 2 289.383 1.142 20 30 CDEDLO CCc1nc(C(=O)NC[C@H](C)[NH+]2CCOCC2)co1 ZINC000330823000 264047458 /nfs/dbraw/zinc/04/74/58/264047458.db2.gz HSRLIGAGWWVHSU-JTQLQIEISA-N 1 2 267.329 1.262 20 30 CDEDLO N#CCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000331139872 264135843 /nfs/dbraw/zinc/13/58/43/264135843.db2.gz JVOSWBLBBNKUKM-UHFFFAOYSA-N 1 2 297.362 1.504 20 30 CDEDLO C=CC[N@@H+](C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000425416735 264295716 /nfs/dbraw/zinc/29/57/16/264295716.db2.gz LTUQBPROMVFARB-OLZOCXBDSA-N 1 2 273.398 1.087 20 30 CDEDLO C=CC[N@H+](C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000425416735 264295717 /nfs/dbraw/zinc/29/57/17/264295717.db2.gz LTUQBPROMVFARB-OLZOCXBDSA-N 1 2 273.398 1.087 20 30 CDEDLO C=CCCn1cc(CN2CCC(n3cc[nH+]c3)CC2)nn1 ZINC000653566407 424287296 /nfs/dbraw/zinc/28/72/96/424287296.db2.gz RJRURZFDTFVJIZ-UHFFFAOYSA-N 1 2 286.383 1.888 20 30 CDEDLO C=CCCn1cc(C[NH+]2CCC(n3ccnc3)CC2)nn1 ZINC000653566407 424287307 /nfs/dbraw/zinc/28/73/07/424287307.db2.gz RJRURZFDTFVJIZ-UHFFFAOYSA-N 1 2 286.383 1.888 20 30 CDEDLO CC[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccncc1 ZINC000525885878 265031918 /nfs/dbraw/zinc/03/19/18/265031918.db2.gz ZEPJCIHDXZWXAB-UHFFFAOYSA-N 1 2 272.352 1.466 20 30 CDEDLO CC[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccncc1 ZINC000525885878 265031921 /nfs/dbraw/zinc/03/19/21/265031921.db2.gz ZEPJCIHDXZWXAB-UHFFFAOYSA-N 1 2 272.352 1.466 20 30 CDEDLO C=CCOCCNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000652511676 424511406 /nfs/dbraw/zinc/51/14/06/424511406.db2.gz IQMBYYGUVRAMEW-GFCCVEGCSA-N 1 2 292.383 1.715 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000356752047 266168756 /nfs/dbraw/zinc/16/87/56/266168756.db2.gz OOUCSRJRJBJDEH-RBSFLKMASA-N 1 2 296.411 1.289 20 30 CDEDLO COc1ccc([C@@H](NC(=O)[C@H](C)C#N)c2[nH+]ccn2C)cc1 ZINC000357800912 266365659 /nfs/dbraw/zinc/36/56/59/266365659.db2.gz OBACAOLCBKPNIJ-BXUZGUMPSA-N 1 2 298.346 1.794 20 30 CDEDLO N#CCC1(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000373968027 267730295 /nfs/dbraw/zinc/73/02/95/267730295.db2.gz JFIRJWNZKNGGDM-UHFFFAOYSA-N 1 2 287.367 1.923 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+]([C@H](C)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000338354355 277100418 /nfs/dbraw/zinc/10/04/18/277100418.db2.gz FGOFVLDOQGBCPG-ZOWXZIJZSA-N 1 2 288.347 1.882 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000338354355 277100419 /nfs/dbraw/zinc/10/04/19/277100419.db2.gz FGOFVLDOQGBCPG-ZOWXZIJZSA-N 1 2 288.347 1.882 20 30 CDEDLO Fc1ccc(C#CC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000155806672 279461221 /nfs/dbraw/zinc/46/12/21/279461221.db2.gz IYIYRYFDJDBGQK-UHFFFAOYSA-N 1 2 296.349 1.789 20 30 CDEDLO C[C@@H]1C[NH+](C[C@@H]2CCCN2CCCC#N)C[C@@H](C)O1 ZINC000067715207 297018383 /nfs/dbraw/zinc/01/83/83/297018383.db2.gz AIQDZHLTSYHCKX-KFWWJZLASA-N 1 2 265.401 1.864 20 30 CDEDLO Cc1nc(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)ccc1C#N ZINC000568645458 294076645 /nfs/dbraw/zinc/07/66/45/294076645.db2.gz LREIYORRLCCYDE-NSHDSACASA-N 1 2 294.305 1.236 20 30 CDEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(C)n1C ZINC000563220778 327979630 /nfs/dbraw/zinc/97/96/30/327979630.db2.gz VADJLMQODQCBHA-CQSZACIVSA-N 1 2 262.357 1.216 20 30 CDEDLO Cc1cc(C)cc(OCC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000563220954 327979842 /nfs/dbraw/zinc/97/98/42/327979842.db2.gz XVNFUVWQHVCZIA-INIZCTEOSA-N 1 2 289.379 1.642 20 30 CDEDLO C=C(C)COCCNC(=O)CCc1c[nH+]cn1C ZINC000339173988 327998671 /nfs/dbraw/zinc/99/86/71/327998671.db2.gz MYYTVJNADBFDOV-UHFFFAOYSA-N 1 2 251.330 1.062 20 30 CDEDLO C=C(C)[C@H](CC(=O)N1CC(n2cc[nH+]c2)C1)OCC ZINC000534395370 328050831 /nfs/dbraw/zinc/05/08/31/328050831.db2.gz HSZDRVOYUQBPAB-ZDUSSCGKSA-N 1 2 263.341 1.638 20 30 CDEDLO Cc1ccn2cc(CNC(=O)N3CCO[C@H](C#N)C3)[nH+]c2c1 ZINC000264340387 328158815 /nfs/dbraw/zinc/15/88/15/328158815.db2.gz CBERWOUSHFIRSL-CYBMUJFWSA-N 1 2 299.334 1.077 20 30 CDEDLO CCC(CC)[C@@H](C(=O)N[C@H](C#N)CC)[NH+]1CCOCC1 ZINC000179241527 329206469 /nfs/dbraw/zinc/20/64/69/329206469.db2.gz VFBBDVLPHLANFK-KBPBESRZSA-N 1 2 281.400 1.542 20 30 CDEDLO N#CCOc1ccccc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290999391 328261725 /nfs/dbraw/zinc/26/17/25/328261725.db2.gz YLCYISORXOXDPS-UHFFFAOYSA-N 1 2 282.303 1.441 20 30 CDEDLO Cc1cc(NC[C@@H](O)COc2ccccc2)c(C#N)c[nH+]1 ZINC000578883583 324048956 /nfs/dbraw/zinc/04/89/56/324048956.db2.gz SUPYBPQTINKOHT-CQSZACIVSA-N 1 2 283.331 1.535 20 30 CDEDLO C#CCCCCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000123331690 328447240 /nfs/dbraw/zinc/44/72/40/328447240.db2.gz NSWIOQHFGPRNMB-CQSZACIVSA-N 1 2 286.379 1.763 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1cccc(Cl)c1 ZINC000583179323 329341838 /nfs/dbraw/zinc/34/18/38/329341838.db2.gz MLCUUCPFCYZZRQ-AWEZNQCLSA-N 1 2 295.770 1.679 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCC1CC1 ZINC000115352919 327300689 /nfs/dbraw/zinc/30/06/89/327300689.db2.gz PQZFMBURCKIRCS-UHFFFAOYSA-N 1 2 279.384 1.251 20 30 CDEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1CCCC#N ZINC000377616043 329020587 /nfs/dbraw/zinc/02/05/87/329020587.db2.gz RJLKOGOPNFGHND-HNNXBMFYSA-N 1 2 297.362 1.419 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)NCCCCC#N ZINC000171440481 329075915 /nfs/dbraw/zinc/07/59/15/329075915.db2.gz PARFTZCDICICLQ-UHFFFAOYSA-N 1 2 282.388 1.090 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)NCCCCC#N ZINC000171440481 329075916 /nfs/dbraw/zinc/07/59/16/329075916.db2.gz PARFTZCDICICLQ-UHFFFAOYSA-N 1 2 282.388 1.090 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCc1ccc(F)cc1 ZINC000174049780 329156770 /nfs/dbraw/zinc/15/67/70/329156770.db2.gz HIJKLMONQFGLGK-UHFFFAOYSA-N 1 2 258.296 1.010 20 30 CDEDLO C[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)C1CC1 ZINC000175288767 329167267 /nfs/dbraw/zinc/16/72/67/329167267.db2.gz BUVJZOXRDGDYOV-ZDUSSCGKSA-N 1 2 279.384 1.107 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000195065829 329690069 /nfs/dbraw/zinc/69/00/69/329690069.db2.gz KQOJXADRULIXEE-JSGCOSHPSA-N 1 2 299.399 1.960 20 30 CDEDLO Cc1cc(CNC(=O)N=c2ccn(CCC#N)[nH]2)cc(C)[nH+]1 ZINC000421067084 329801675 /nfs/dbraw/zinc/80/16/75/329801675.db2.gz VVCBOXQDTDYWHY-UHFFFAOYSA-N 1 2 298.350 1.552 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(C#N)s1 ZINC000572410216 330062981 /nfs/dbraw/zinc/06/29/81/330062981.db2.gz SGFJFFDFUZLKAC-LBPRGKRZSA-N 1 2 262.338 1.193 20 30 CDEDLO N#CCSCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000046017467 330350705 /nfs/dbraw/zinc/35/07/05/330350705.db2.gz CDTYGERIDBGKPY-UHFFFAOYSA-N 1 2 289.404 1.588 20 30 CDEDLO CC#CC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000157894810 330809607 /nfs/dbraw/zinc/80/96/07/330809607.db2.gz GEBMKEBMZYEKMP-UHFFFAOYSA-N 1 2 257.312 1.843 20 30 CDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000451288084 331023316 /nfs/dbraw/zinc/02/33/16/331023316.db2.gz RXWBTMYZBLJZPF-CXTNEJHOSA-N 1 2 279.384 1.104 20 30 CDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000451288084 331023317 /nfs/dbraw/zinc/02/33/17/331023317.db2.gz RXWBTMYZBLJZPF-CXTNEJHOSA-N 1 2 279.384 1.104 20 30 CDEDLO C=C(C)CS(=O)(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000451935676 331047677 /nfs/dbraw/zinc/04/76/77/331047677.db2.gz XKUSVVKJPOBHOK-SNVBAGLBSA-N 1 2 257.359 1.460 20 30 CDEDLO Cc1cc(C)c(CNS(=O)(=O)CC2(CC#N)CC2)c[nH+]1 ZINC000452045140 331052015 /nfs/dbraw/zinc/05/20/15/331052015.db2.gz SWVFJXVIEGRZQH-UHFFFAOYSA-N 1 2 293.392 1.812 20 30 CDEDLO C=CC(C)(C)CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000454140046 331139527 /nfs/dbraw/zinc/13/95/27/331139527.db2.gz BXKLQRPSISSVQP-UHFFFAOYSA-N 1 2 283.416 1.609 20 30 CDEDLO C=CCCOCCNC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000454719236 331152268 /nfs/dbraw/zinc/15/22/68/331152268.db2.gz QUTHIWSQIUVSJB-LBPRGKRZSA-N 1 2 280.372 1.856 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)N(C)CC(C)(C)C#N)[NH+]1CCOCC1 ZINC000458321789 331248585 /nfs/dbraw/zinc/24/85/85/331248585.db2.gz XQYHMMUJPZGUKX-QWHCGFSZSA-N 1 2 296.415 1.287 20 30 CDEDLO C[C@@H](NC(=O)NCC(C)(C)CC#N)[C@@H](C)[NH+]1CCOCC1 ZINC000458336340 331249301 /nfs/dbraw/zinc/24/93/01/331249301.db2.gz LKGJVFFRPYIJSG-CHWSQXEVSA-N 1 2 296.415 1.335 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000458772010 331259572 /nfs/dbraw/zinc/25/95/72/331259572.db2.gz OYCKYAYBVFINFV-OLZOCXBDSA-N 1 2 292.383 1.498 20 30 CDEDLO N#CCCCC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000488552992 332017148 /nfs/dbraw/zinc/01/71/48/332017148.db2.gz WLARAOMQQCWHSU-CQSZACIVSA-N 1 2 275.327 1.992 20 30 CDEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)N[C@H](C(C)=O)C(C)C ZINC000489399190 332050244 /nfs/dbraw/zinc/05/02/44/332050244.db2.gz IXCJMIFDQBUDTB-HIFRSBDPSA-N 1 2 266.385 1.757 20 30 CDEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@H](C(C)=O)C(C)C ZINC000489399190 332050245 /nfs/dbraw/zinc/05/02/45/332050245.db2.gz IXCJMIFDQBUDTB-HIFRSBDPSA-N 1 2 266.385 1.757 20 30 CDEDLO C=CCCCS(=O)(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC000489880425 332071694 /nfs/dbraw/zinc/07/16/94/332071694.db2.gz DTNSFWXQGGZABN-GFCCVEGCSA-N 1 2 260.403 1.308 20 30 CDEDLO C=CCCCS(=O)(=O)N1CC[N@H+](CC)C[C@H]1C ZINC000489880425 332071695 /nfs/dbraw/zinc/07/16/95/332071695.db2.gz DTNSFWXQGGZABN-GFCCVEGCSA-N 1 2 260.403 1.308 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCCOCCc1ccccc1 ZINC000491268135 332178133 /nfs/dbraw/zinc/17/81/33/332178133.db2.gz XSIOPZNULNMYBA-QGZVFWFLSA-N 1 2 273.376 1.970 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCCOCCc1ccccc1 ZINC000491268135 332178135 /nfs/dbraw/zinc/17/81/35/332178135.db2.gz XSIOPZNULNMYBA-QGZVFWFLSA-N 1 2 273.376 1.970 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000491289002 332182584 /nfs/dbraw/zinc/18/25/84/332182584.db2.gz WFVREUOULBKJFY-CQSZACIVSA-N 1 2 286.375 1.613 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C[C@@]2(CCc3ccccc32)C1=O ZINC000491689134 332286763 /nfs/dbraw/zinc/28/67/63/332286763.db2.gz GRBPHSBROMKOMI-SCLBCKFNSA-N 1 2 296.370 1.541 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C[C@@]2(CCc3ccccc32)C1=O ZINC000491689134 332286764 /nfs/dbraw/zinc/28/67/64/332286764.db2.gz GRBPHSBROMKOMI-SCLBCKFNSA-N 1 2 296.370 1.541 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccoc3)n2C2CC2)CC1 ZINC000491709495 332301795 /nfs/dbraw/zinc/30/17/95/332301795.db2.gz PBMVVZRRRROYMC-UHFFFAOYSA-N 1 2 297.362 1.628 20 30 CDEDLO C#CCNC(=O)CC[NH2+]CC(F)(F)c1ccccc1 ZINC000491710994 332302547 /nfs/dbraw/zinc/30/25/47/332302547.db2.gz SOXOBAQZSFFTRM-UHFFFAOYSA-N 1 2 266.291 1.508 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000491739124 332318651 /nfs/dbraw/zinc/31/86/51/332318651.db2.gz NHZGJIATCRFYQC-LBPRGKRZSA-N 1 2 260.341 1.547 20 30 CDEDLO C#C[C@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000491761898 332332020 /nfs/dbraw/zinc/33/20/20/332332020.db2.gz XXEDMJKGRZQBTD-ZDUSSCGKSA-N 1 2 271.295 1.972 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccccn2)n1 ZINC000491777897 332343172 /nfs/dbraw/zinc/34/31/72/332343172.db2.gz GQMQYUUIRZKNBN-UHFFFAOYSA-N 1 2 254.337 1.933 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccccn2)n1 ZINC000491777897 332343173 /nfs/dbraw/zinc/34/31/73/332343173.db2.gz GQMQYUUIRZKNBN-UHFFFAOYSA-N 1 2 254.337 1.933 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCCN1C(=O)c2ccccc2C1=O ZINC000491779206 332344227 /nfs/dbraw/zinc/34/42/27/332344227.db2.gz ZKTGSLIOHJXGLY-CYBMUJFWSA-N 1 2 298.342 1.007 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCCN1C(=O)c2ccccc2C1=O ZINC000491779206 332344229 /nfs/dbraw/zinc/34/42/29/332344229.db2.gz ZKTGSLIOHJXGLY-CYBMUJFWSA-N 1 2 298.342 1.007 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)NC1(C#N)CC1 ZINC000172355286 335102496 /nfs/dbraw/zinc/10/24/96/335102496.db2.gz OMCADBDFDQCVGY-UHFFFAOYSA-N 1 2 254.293 1.517 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1c(C)nn(C)c1C)C1CC1 ZINC000491817640 332368046 /nfs/dbraw/zinc/36/80/46/332368046.db2.gz YVKVLJXCUFEXQE-UHFFFAOYSA-N 1 2 260.341 1.073 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1c(C)nn(C)c1C)C1CC1 ZINC000491817640 332368048 /nfs/dbraw/zinc/36/80/48/332368048.db2.gz YVKVLJXCUFEXQE-UHFFFAOYSA-N 1 2 260.341 1.073 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)[C@H](C)N(c2ccccc2)C1=O ZINC000491817880 332368480 /nfs/dbraw/zinc/36/84/80/332368480.db2.gz JRQYJPQBFIDLTR-STQMWFEESA-N 1 2 285.347 1.755 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)[C@H](C)N(c2ccccc2)C1=O ZINC000491817880 332368482 /nfs/dbraw/zinc/36/84/82/332368482.db2.gz JRQYJPQBFIDLTR-STQMWFEESA-N 1 2 285.347 1.755 20 30 CDEDLO CCn1cc[nH+]c1/C=C/C(=O)NC1(C#N)CCOCC1 ZINC000492268402 332389952 /nfs/dbraw/zinc/38/99/52/332389952.db2.gz AHNQHENGPZAMKV-ONEGZZNKSA-N 1 2 274.324 1.105 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000521642502 333180905 /nfs/dbraw/zinc/18/09/05/333180905.db2.gz ZTGBXYRWIPGBBT-NSHDSACASA-N 1 2 256.309 1.476 20 30 CDEDLO C#CC[NH+]1CCN(Cn2ncc3ccccc32)CC1 ZINC000189703350 333198056 /nfs/dbraw/zinc/19/80/56/333198056.db2.gz ZHULJHSDTYDGNU-UHFFFAOYSA-N 1 2 254.337 1.245 20 30 CDEDLO C#CCN1CC[NH+](Cn2ncc3ccccc32)CC1 ZINC000189703350 333198057 /nfs/dbraw/zinc/19/80/57/333198057.db2.gz ZHULJHSDTYDGNU-UHFFFAOYSA-N 1 2 254.337 1.245 20 30 CDEDLO Cc1cccn2cc(CC(=O)N[C@@H](C)CC#N)[nH+]c12 ZINC000522117955 333243990 /nfs/dbraw/zinc/24/39/90/333243990.db2.gz JJAONAYQMKMVQR-NSHDSACASA-N 1 2 256.309 1.604 20 30 CDEDLO C=C(C)[C@@H](Cc1nc([C@@H]2C[N@H+](C)CCN2C)no1)OCC ZINC000547200818 334072662 /nfs/dbraw/zinc/07/26/62/334072662.db2.gz CJSBSGWXCCPCCT-QWHCGFSZSA-N 1 2 294.399 1.512 20 30 CDEDLO C=C(C)[C@@H](Cc1nc([C@@H]2C[N@@H+](C)CCN2C)no1)OCC ZINC000547200818 334072664 /nfs/dbraw/zinc/07/26/64/334072664.db2.gz CJSBSGWXCCPCCT-QWHCGFSZSA-N 1 2 294.399 1.512 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1nnc2ccccn21 ZINC000551909706 334265748 /nfs/dbraw/zinc/26/57/48/334265748.db2.gz BZWKGJGQVYQYFO-NSHDSACASA-N 1 2 254.297 1.262 20 30 CDEDLO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H](C)C#N ZINC000090523011 334362588 /nfs/dbraw/zinc/36/25/88/334362588.db2.gz OTUILEGFBLDUJD-LLVKDONJSA-N 1 2 278.312 1.238 20 30 CDEDLO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H](C)C#N ZINC000090523011 334362589 /nfs/dbraw/zinc/36/25/89/334362589.db2.gz OTUILEGFBLDUJD-LLVKDONJSA-N 1 2 278.312 1.238 20 30 CDEDLO N#CCC[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000577364957 335341694 /nfs/dbraw/zinc/34/16/94/335341694.db2.gz KJFIQKAHQUQURJ-UHFFFAOYSA-N 1 2 257.337 1.812 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c(o1)CCCC2 ZINC001038329300 1159541337 /nfs/dbraw/zinc/54/13/37/1159541337.db2.gz BTAZSPKUWSIJLV-CQSZACIVSA-N 1 2 286.375 1.986 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2c(o1)CCCC2 ZINC001038329300 1159541340 /nfs/dbraw/zinc/54/13/40/1159541340.db2.gz BTAZSPKUWSIJLV-CQSZACIVSA-N 1 2 286.375 1.986 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2cnns2)C1 ZINC001027336539 1159664114 /nfs/dbraw/zinc/66/41/14/1159664114.db2.gz SBNWHTDLGOIVAZ-MNOVXSKESA-N 1 2 293.396 1.121 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2cnns2)C1 ZINC001027336539 1159664117 /nfs/dbraw/zinc/66/41/17/1159664117.db2.gz SBNWHTDLGOIVAZ-MNOVXSKESA-N 1 2 293.396 1.121 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H]2CC=CCC2)C1 ZINC001753650866 1159870394 /nfs/dbraw/zinc/87/03/94/1159870394.db2.gz BJAUHCQINUKWTH-CABCVRRESA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C[C@@H]2CC=CCC2)C1 ZINC001753650866 1159870408 /nfs/dbraw/zinc/87/04/08/1159870408.db2.gz BJAUHCQINUKWTH-CABCVRRESA-N 1 2 278.396 1.736 20 30 CDEDLO C=CCN(c1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1)C1CC1 ZINC000665710114 482477090 /nfs/dbraw/zinc/47/70/90/482477090.db2.gz AEZGZXJSAATWCI-OLZOCXBDSA-N 1 2 288.395 1.839 20 30 CDEDLO C=CCN(c1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1)C1CC1 ZINC000665710114 482477091 /nfs/dbraw/zinc/47/70/91/482477091.db2.gz AEZGZXJSAATWCI-OLZOCXBDSA-N 1 2 288.395 1.839 20 30 CDEDLO C=C[C@](C)(O)C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000666532666 482760687 /nfs/dbraw/zinc/76/06/87/482760687.db2.gz DWUGOYTUTMZLOV-HNNXBMFYSA-N 1 2 277.368 1.481 20 30 CDEDLO COCC#CC[NH2+][C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000677818961 482796062 /nfs/dbraw/zinc/79/60/62/482796062.db2.gz MJCOVEVMLBLBJB-AWEZNQCLSA-N 1 2 280.755 1.280 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1nc(C)c[nH]1 ZINC001753065764 1185034396 /nfs/dbraw/zinc/03/43/96/1185034396.db2.gz FOZOWKOUSHIMDX-UHFFFAOYSA-N 1 2 256.737 1.132 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1nc(C)c[nH]1 ZINC001753065764 1185034405 /nfs/dbraw/zinc/03/44/05/1185034405.db2.gz FOZOWKOUSHIMDX-UHFFFAOYSA-N 1 2 256.737 1.132 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068477097 518591449 /nfs/dbraw/zinc/59/14/49/518591449.db2.gz NWIQKBYOXLWJTR-ZDUSSCGKSA-N 1 2 268.401 1.910 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068477097 518591452 /nfs/dbraw/zinc/59/14/52/518591452.db2.gz NWIQKBYOXLWJTR-ZDUSSCGKSA-N 1 2 268.401 1.910 20 30 CDEDLO C=CCNC(=O)CNC(=O)Nc1ccc(C)[nH+]c1C ZINC000182479708 518892935 /nfs/dbraw/zinc/89/29/35/518892935.db2.gz BHMMIWYGDQUPJT-UHFFFAOYSA-N 1 2 262.313 1.122 20 30 CDEDLO C=CCCOCC(=O)NC[C@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113639869 1162245892 /nfs/dbraw/zinc/24/58/92/1162245892.db2.gz MJYIDDOHVGCMPK-LBPRGKRZSA-N 1 2 292.383 1.319 20 30 CDEDLO N#Cc1cc(NCc2ccc(N3CCOCC3)[nH+]c2)ccn1 ZINC000339975358 526538374 /nfs/dbraw/zinc/53/83/74/526538374.db2.gz HIVUKRGIYPDBLX-UHFFFAOYSA-N 1 2 295.346 1.219 20 30 CDEDLO Cc1nc(C)c(C#N)c(SCC[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000188290916 526688196 /nfs/dbraw/zinc/68/81/96/526688196.db2.gz GIOIGLBWLKWFCT-JTQLQIEISA-N 1 2 292.408 1.778 20 30 CDEDLO Cc1nc(C)c(C#N)c(SCC[N@H+]2CCO[C@@H](C)C2)n1 ZINC000188290916 526688201 /nfs/dbraw/zinc/68/82/01/526688201.db2.gz GIOIGLBWLKWFCT-JTQLQIEISA-N 1 2 292.408 1.778 20 30 CDEDLO C#CCNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000114780621 527009225 /nfs/dbraw/zinc/00/92/25/527009225.db2.gz TZSYNZLOHWJNMV-CYBMUJFWSA-N 1 2 272.352 1.103 20 30 CDEDLO CC1(CNC(=O)NCC2([NH+]3CCOCC3)CC2)CCC1 ZINC000330230619 527900160 /nfs/dbraw/zinc/90/01/60/527900160.db2.gz DPWKETRHWCYMMK-UHFFFAOYSA-N 1 2 281.400 1.545 20 30 CDEDLO CC(C)C[C@@H]1COCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000113941284 528391600 /nfs/dbraw/zinc/39/16/00/528391600.db2.gz ASDJYSNLOCIHPX-ZBFHGGJFSA-N 1 2 295.427 1.788 20 30 CDEDLO CC(C)C[C@@H]1COCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000113941284 528391605 /nfs/dbraw/zinc/39/16/05/528391605.db2.gz ASDJYSNLOCIHPX-ZBFHGGJFSA-N 1 2 295.427 1.788 20 30 CDEDLO CCN1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1=O ZINC000190192796 535518255 /nfs/dbraw/zinc/51/82/55/535518255.db2.gz PINIISJSGFJEBL-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO CCN1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1=O ZINC000190192796 535518262 /nfs/dbraw/zinc/51/82/62/535518262.db2.gz PINIISJSGFJEBL-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO O=C(N[C@@H]1CCCS(=O)(=O)C1)c1ccc2[nH+]ccn2c1 ZINC000329350322 538561096 /nfs/dbraw/zinc/56/10/96/538561096.db2.gz SYBOTPLHAHCZEK-LLVKDONJSA-N 1 2 293.348 1.216 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]Nc1ccc([N+](=O)[O-])cc1 ZINC000747624197 574503436 /nfs/dbraw/zinc/50/34/36/574503436.db2.gz KAHHEPOMFKLFRI-UHFFFAOYSA-N 1 2 288.267 1.422 20 30 CDEDLO C#Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)nc1 ZINC000728807420 574649108 /nfs/dbraw/zinc/64/91/08/574649108.db2.gz AKNFYSFEGHDWGI-UHFFFAOYSA-N 1 2 289.298 1.896 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnccc1OC ZINC000730098922 574849018 /nfs/dbraw/zinc/84/90/18/574849018.db2.gz SENBXGUYVWPQOU-LBPRGKRZSA-N 1 2 259.309 1.126 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnccc1OC ZINC000730098922 574849020 /nfs/dbraw/zinc/84/90/20/574849020.db2.gz SENBXGUYVWPQOU-LBPRGKRZSA-N 1 2 259.309 1.126 20 30 CDEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ncc(C#N)s1 ZINC000759630816 574924439 /nfs/dbraw/zinc/92/44/39/574924439.db2.gz DWCSCXYDTKUJMH-SNVBAGLBSA-N 1 2 264.354 1.828 20 30 CDEDLO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ncc(C#N)s1 ZINC000759630816 574924442 /nfs/dbraw/zinc/92/44/42/574924442.db2.gz DWCSCXYDTKUJMH-SNVBAGLBSA-N 1 2 264.354 1.828 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(OC)c(C3CC3)c2)CC1 ZINC000767921563 576239130 /nfs/dbraw/zinc/23/91/30/576239130.db2.gz KLDSBDOYIDRZOF-UHFFFAOYSA-N 1 2 298.386 1.964 20 30 CDEDLO C=CCNc1ncc(C(=O)N2CC[N@H+](C)[C@H](C)C2)s1 ZINC000771024373 575532381 /nfs/dbraw/zinc/53/23/81/575532381.db2.gz HNCCMQKNTNNRDQ-SNVBAGLBSA-N 1 2 280.397 1.517 20 30 CDEDLO C=CCNc1ncc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000771024373 575532383 /nfs/dbraw/zinc/53/23/83/575532383.db2.gz HNCCMQKNTNNRDQ-SNVBAGLBSA-N 1 2 280.397 1.517 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)C[C@](C)(CC)C1=O)C1CC1 ZINC000771639160 575599872 /nfs/dbraw/zinc/59/98/72/575599872.db2.gz FXNNPZSKUKNSEH-AWEZNQCLSA-N 1 2 250.342 1.770 20 30 CDEDLO C=CC[N@H+](CN1C(=O)C[C@](C)(CC)C1=O)C1CC1 ZINC000771639160 575599875 /nfs/dbraw/zinc/59/98/75/575599875.db2.gz FXNNPZSKUKNSEH-AWEZNQCLSA-N 1 2 250.342 1.770 20 30 CDEDLO CC(=CS(C)(=O)=O)NNc1[nH+]ccnc1C(C)C ZINC000773077221 575780518 /nfs/dbraw/zinc/78/05/18/575780518.db2.gz DXSSUHOORGJBPL-UHFFFAOYSA-N 1 2 270.358 1.432 20 30 CDEDLO CCN(CC)c1ccnc(N=NCc2ccc[nH+]c2N)n1 ZINC000764696670 575934766 /nfs/dbraw/zinc/93/47/66/575934766.db2.gz QAZLNGBAKAZTRI-UHFFFAOYSA-N 1 2 285.355 1.746 20 30 CDEDLO N#Cc1c2c(cn(C[N@@H+]3CC[C@@]4(CCOC4)C3)c1=O)CCC2 ZINC000766634754 576117614 /nfs/dbraw/zinc/11/76/14/576117614.db2.gz ZLKVKWJZHBJFRW-QGZVFWFLSA-N 1 2 299.374 1.279 20 30 CDEDLO N#Cc1c2c(cn(C[N@H+]3CC[C@@]4(CCOC4)C3)c1=O)CCC2 ZINC000766634754 576117616 /nfs/dbraw/zinc/11/76/16/576117616.db2.gz ZLKVKWJZHBJFRW-QGZVFWFLSA-N 1 2 299.374 1.279 20 30 CDEDLO COCC1=CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766634983 576117631 /nfs/dbraw/zinc/11/76/31/576117631.db2.gz SJRARMGJBDTFKT-UHFFFAOYSA-N 1 2 299.374 1.445 20 30 CDEDLO COCC1=CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766634983 576117633 /nfs/dbraw/zinc/11/76/33/576117633.db2.gz SJRARMGJBDTFKT-UHFFFAOYSA-N 1 2 299.374 1.445 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(OC)c(Cl)n2)CC1 ZINC000768128517 576259254 /nfs/dbraw/zinc/25/92/54/576259254.db2.gz OAQGKWCLZLWMEY-UHFFFAOYSA-N 1 2 293.754 1.135 20 30 CDEDLO C=CCN(CC=C)C(=O)CO[NH+]=C(N)COC(C)(C)C ZINC000768934897 576318030 /nfs/dbraw/zinc/31/80/30/576318030.db2.gz PTGUGCQRJAKJJY-UHFFFAOYSA-N 1 2 283.372 1.501 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000769469091 576356841 /nfs/dbraw/zinc/35/68/41/576356841.db2.gz SCNAHMOTAFYDBJ-UHFFFAOYSA-N 1 2 267.332 1.980 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1CCc2cn[nH]c2C1 ZINC000769469091 576356842 /nfs/dbraw/zinc/35/68/42/576356842.db2.gz SCNAHMOTAFYDBJ-UHFFFAOYSA-N 1 2 267.332 1.980 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000739816232 576385880 /nfs/dbraw/zinc/38/58/80/576385880.db2.gz YOHTZNPVAWKPPR-AWEZNQCLSA-N 1 2 295.346 1.303 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000739816232 576385881 /nfs/dbraw/zinc/38/58/81/576385881.db2.gz YOHTZNPVAWKPPR-AWEZNQCLSA-N 1 2 295.346 1.303 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CCO)c1cccs1 ZINC000761932538 576606044 /nfs/dbraw/zinc/60/60/44/576606044.db2.gz KRGUFDZAQSOQSF-STQMWFEESA-N 1 2 292.404 1.385 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CCO)c1cccs1 ZINC000761932538 576606045 /nfs/dbraw/zinc/60/60/45/576606045.db2.gz KRGUFDZAQSOQSF-STQMWFEESA-N 1 2 292.404 1.385 20 30 CDEDLO Cc1nc(C(C)(C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)no1 ZINC000763533803 576741204 /nfs/dbraw/zinc/74/12/04/576741204.db2.gz OLULVBMDRYTRKK-CYBMUJFWSA-N 1 2 286.335 1.808 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCC(=O)[C@@H](C)C2)CC1 ZINC000763989805 576771334 /nfs/dbraw/zinc/77/13/34/576771334.db2.gz DMTJEGCOHXQFBM-UONOGXRCSA-N 1 2 276.380 1.159 20 30 CDEDLO N#CC1CC[NH+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000747088663 576858465 /nfs/dbraw/zinc/85/84/65/576858465.db2.gz 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/nfs/dbraw/zinc/96/61/79/576966179.db2.gz WMGKNPIKQLEDQS-UHFFFAOYSA-N 1 2 259.309 1.885 20 30 CDEDLO C[N@H+](C[C@H]1CCCCO1)Cn1cccc(C#N)c1=O ZINC000758196811 577080185 /nfs/dbraw/zinc/08/01/85/577080185.db2.gz FPEVNVNSLZBFJB-CYBMUJFWSA-N 1 2 261.325 1.178 20 30 CDEDLO C[N@@H+](C[C@H]1CCCCO1)Cn1cccc(C#N)c1=O ZINC000758196811 577080187 /nfs/dbraw/zinc/08/01/87/577080187.db2.gz FPEVNVNSLZBFJB-CYBMUJFWSA-N 1 2 261.325 1.178 20 30 CDEDLO C=CC[N@H+](CC(=O)Nc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC000823903645 608267202 /nfs/dbraw/zinc/26/72/02/608267202.db2.gz GGCOKUXEJVDPNF-UHFFFAOYSA-N 1 2 298.350 1.456 20 30 CDEDLO C=CC[N@@H+](CC(=O)Nc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC000823903645 608267204 /nfs/dbraw/zinc/26/72/04/608267204.db2.gz GGCOKUXEJVDPNF-UHFFFAOYSA-N 1 2 298.350 1.456 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2nc(C)sc2C)C1 ZINC000950604855 612993347 /nfs/dbraw/zinc/99/33/47/612993347.db2.gz CHOQNXKZHLRXQE-UHFFFAOYSA-N 1 2 291.420 1.930 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C)C(C)C)CC2)C1 ZINC000949487836 613210278 /nfs/dbraw/zinc/21/02/78/613210278.db2.gz ZDOPSSSHFJRAKG-OAHLLOKOSA-N 1 2 292.423 1.605 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)C(C)C)CC2)C1 ZINC000949487836 613210281 /nfs/dbraw/zinc/21/02/81/613210281.db2.gz ZDOPSSSHFJRAKG-OAHLLOKOSA-N 1 2 292.423 1.605 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](F)C(C)C)CC2)C1 ZINC000949444524 613210571 /nfs/dbraw/zinc/21/05/71/613210571.db2.gz KWYCVLXRQFFLPS-CQSZACIVSA-N 1 2 296.386 1.307 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](F)C(C)C)CC2)C1 ZINC000949444524 613210572 /nfs/dbraw/zinc/21/05/72/613210572.db2.gz KWYCVLXRQFFLPS-CQSZACIVSA-N 1 2 296.386 1.307 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3C=CC=CC=C3)C2)C1 ZINC000972400567 613212502 /nfs/dbraw/zinc/21/25/02/613212502.db2.gz YGQREGPRVSPNMI-GOSISDBHSA-N 1 2 298.386 1.221 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3C=CC=CC=C3)C2)C1 ZINC000972400567 613212503 /nfs/dbraw/zinc/21/25/03/613212503.db2.gz YGQREGPRVSPNMI-GOSISDBHSA-N 1 2 298.386 1.221 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C(C)C)C2)C1 ZINC000972583334 613212947 /nfs/dbraw/zinc/21/29/47/613212947.db2.gz UJVOPMQHIASKKY-GDBMZVCRSA-N 1 2 278.396 1.215 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C(C)C)C2)C1 ZINC000972583334 613212948 /nfs/dbraw/zinc/21/29/48/613212948.db2.gz UJVOPMQHIASKKY-GDBMZVCRSA-N 1 2 278.396 1.215 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCC1 ZINC000958019000 613236092 /nfs/dbraw/zinc/23/60/92/613236092.db2.gz SWHHSOIINSYCCO-GDNZZTSVSA-N 1 2 299.212 1.742 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCC1 ZINC000958019000 613236094 /nfs/dbraw/zinc/23/60/94/613236094.db2.gz SWHHSOIINSYCCO-GDNZZTSVSA-N 1 2 299.212 1.742 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC000957337791 613294351 /nfs/dbraw/zinc/29/43/51/613294351.db2.gz CDUCNYRIYQJQFC-AWEZNQCLSA-N 1 2 293.411 1.106 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCO[C@H]2C)C1 ZINC000957043651 613295477 /nfs/dbraw/zinc/29/54/77/613295477.db2.gz FJJURSRCFFFQPU-JSGCOSHPSA-N 1 2 266.385 1.520 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000949912868 613295893 /nfs/dbraw/zinc/29/58/93/613295893.db2.gz KUMOICPRQQIQHF-UHFFFAOYSA-N 1 2 272.352 1.609 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccnn2C)C1 ZINC000949760251 613297090 /nfs/dbraw/zinc/29/70/90/613297090.db2.gz VUBDLWDQRBIFEL-UHFFFAOYSA-N 1 2 262.357 1.143 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H]2CC[C@H](CC)O2)CC1 ZINC000948604248 613319585 /nfs/dbraw/zinc/31/95/85/613319585.db2.gz TVVSNJSPQCMMPK-UONOGXRCSA-N 1 2 266.385 1.664 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnc(C)nc2C)CC1 ZINC000951792862 613321556 /nfs/dbraw/zinc/32/15/56/613321556.db2.gz FBVKPUAOIHAGHG-UHFFFAOYSA-N 1 2 274.368 1.427 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnc3n[nH]c(C)c3c2)CC1 ZINC000957656696 613321866 /nfs/dbraw/zinc/32/18/66/613321866.db2.gz FZMAQSHUMDGBSO-UHFFFAOYSA-N 1 2 299.378 1.600 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)C(C)(C)C1 ZINC000974985131 613338572 /nfs/dbraw/zinc/33/85/72/613338572.db2.gz DUGRDJDJMYDLRS-GFCCVEGCSA-N 1 2 292.383 1.142 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)C(C)(C)C1 ZINC000974985131 613338573 /nfs/dbraw/zinc/33/85/73/613338573.db2.gz DUGRDJDJMYDLRS-GFCCVEGCSA-N 1 2 292.383 1.142 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)c2ncccc2O)C1 ZINC000971395691 613371008 /nfs/dbraw/zinc/37/10/08/613371008.db2.gz XJRZYWHHNWTLOJ-NSHDSACASA-N 1 2 295.770 1.686 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)c2ncccc2O)C1 ZINC000971395691 613371009 /nfs/dbraw/zinc/37/10/09/613371009.db2.gz XJRZYWHHNWTLOJ-NSHDSACASA-N 1 2 295.770 1.686 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000969463087 613372483 /nfs/dbraw/zinc/37/24/83/613372483.db2.gz JKMOEBYEDCNBAK-JTQLQIEISA-N 1 2 292.770 1.689 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2oncc2C)C1 ZINC000970667562 613372703 /nfs/dbraw/zinc/37/27/03/613372703.db2.gz BFIXZLKVQFJUOF-JTQLQIEISA-N 1 2 283.759 1.786 20 30 CDEDLO C=CCC[N@H+]1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000981208568 613495012 /nfs/dbraw/zinc/49/50/12/613495012.db2.gz AZFAXHXBVGZJAA-JTQLQIEISA-N 1 2 282.281 1.997 20 30 CDEDLO C=CCC[N@@H+]1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000981208568 613495015 /nfs/dbraw/zinc/49/50/15/613495015.db2.gz AZFAXHXBVGZJAA-JTQLQIEISA-N 1 2 282.281 1.997 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2CCO[C@H](CC)C2)CC1 ZINC000957107207 613562678 /nfs/dbraw/zinc/56/26/78/613562678.db2.gz OGDAYXJNWQKNRP-HZPDHXFCSA-N 1 2 292.423 1.749 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2cccc(CC)c2)CC1 ZINC000948927124 613563286 /nfs/dbraw/zinc/56/32/86/613563286.db2.gz WLOYVOAXMCNDNC-UHFFFAOYSA-N 1 2 284.403 1.959 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]nc2-c2ccccn2)CC1 ZINC000948686679 613714753 /nfs/dbraw/zinc/71/47/53/613714753.db2.gz LNFOMJROHGCACF-UHFFFAOYSA-N 1 2 297.362 1.416 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ncoc3C)C2)C1 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30 CDEDLO CC1=C(C(=O)C=Cc2c[nH+]cn2C)[C@@H](C)N2NN=NC2=N1 ZINC000901503603 624305674 /nfs/dbraw/zinc/30/56/74/624305674.db2.gz FDDVGTGHHUVANB-XNPJLODASA-N 1 2 285.311 1.222 20 30 CDEDLO C=C(C)CN(C)C(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000907243930 627575499 /nfs/dbraw/zinc/57/54/99/627575499.db2.gz QYPLRDXXGXKDOJ-UHFFFAOYSA-N 1 2 291.395 1.468 20 30 CDEDLO C=CCS(=O)(=O)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907307064 627587271 /nfs/dbraw/zinc/58/72/71/627587271.db2.gz CYNXVUYIDXYWKM-UHFFFAOYSA-N 1 2 296.392 1.337 20 30 CDEDLO C#C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)[C@@H]1CCCO1 ZINC000907485905 627686423 /nfs/dbraw/zinc/68/64/23/627686423.db2.gz GVRRBIAPPRNPKT-KBPBESRZSA-N 1 2 272.348 1.917 20 30 CDEDLO C=CCC[C@@H]1CCCN1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000911980346 629676133 /nfs/dbraw/zinc/67/61/33/629676133.db2.gz AELAQKXGZQHRKZ-HUUCEWRRSA-N 1 2 295.427 1.847 20 30 CDEDLO C=CCC[C@H]1CCCN1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000912451001 630021209 /nfs/dbraw/zinc/02/12/09/630021209.db2.gz LVEUGUNEQHTCGY-CABCVRRESA-N 1 2 295.427 1.847 20 30 CDEDLO C=CCC[C@H]1CCCN1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000912451001 630021211 /nfs/dbraw/zinc/02/12/11/630021211.db2.gz LVEUGUNEQHTCGY-CABCVRRESA-N 1 2 295.427 1.847 20 30 CDEDLO CCCNC(=S)NN=C1CCN(c2cccc[nH+]2)CC1 ZINC000915952927 631873233 /nfs/dbraw/zinc/87/32/33/631873233.db2.gz ZJEFSTUUQPMKAW-UHFFFAOYSA-N 1 2 291.424 1.912 20 30 CDEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)[NH+]1C ZINC000135263618 1158821851 /nfs/dbraw/zinc/82/18/51/1158821851.db2.gz RYMDWOZVVVHDAO-VXGBXAGGSA-N 1 2 293.392 1.271 20 30 CDEDLO C=C(Br)CNC(=O)CCc1c[nH+]cn1C ZINC000793219411 1162401635 /nfs/dbraw/zinc/40/16/35/1162401635.db2.gz IAILNXCODVOMLS-UHFFFAOYSA-N 1 2 272.146 1.378 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3nnc(C)o3)C[C@H]21 ZINC001114025629 1162407806 /nfs/dbraw/zinc/40/78/06/1162407806.db2.gz NNXGOGMKMGSBPQ-WUWHUORYSA-N 1 2 290.367 1.452 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3nnc(C)o3)C[C@H]21 ZINC001114025629 1162407808 /nfs/dbraw/zinc/40/78/08/1162407808.db2.gz NNXGOGMKMGSBPQ-WUWHUORYSA-N 1 2 290.367 1.452 20 30 CDEDLO Cn1c2ccccc2nc1N[NH+]=Cc1ccc(N)nc1 ZINC000807964186 1162794456 /nfs/dbraw/zinc/79/44/56/1162794456.db2.gz ZQSAFRAZVZSBMN-UHFFFAOYSA-N 1 2 266.308 1.997 20 30 CDEDLO C=CCOCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001131945873 1163119388 /nfs/dbraw/zinc/11/93/88/1163119388.db2.gz BZUFNOHBYSXAHJ-CHWSQXEVSA-N 1 2 286.803 1.911 20 30 CDEDLO C=CCOCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=C)Cl)C1 ZINC001131945873 1163119391 /nfs/dbraw/zinc/11/93/91/1163119391.db2.gz BZUFNOHBYSXAHJ-CHWSQXEVSA-N 1 2 286.803 1.911 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC001031060814 1161130796 /nfs/dbraw/zinc/13/07/96/1161130796.db2.gz KRFUMNUNHLDRTK-UHFFFAOYSA-N 1 2 288.351 1.050 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(C2CC2)c1 ZINC001032501723 1161346933 /nfs/dbraw/zinc/34/69/33/1161346933.db2.gz UADKBAVXGYRWOS-HOTGVXAUSA-N 1 2 295.386 1.881 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(C2CC2)c1 ZINC001032501723 1161346935 /nfs/dbraw/zinc/34/69/35/1161346935.db2.gz UADKBAVXGYRWOS-HOTGVXAUSA-N 1 2 295.386 1.881 20 30 CDEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CCCCC)CC2=O)C1 ZINC001108507126 1162012547 /nfs/dbraw/zinc/01/25/47/1162012547.db2.gz JNDCNJUSPZLXCO-CYBMUJFWSA-N 1 2 293.411 1.154 20 30 CDEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nn(C)cc1Cl ZINC001132573969 1163381396 /nfs/dbraw/zinc/38/13/96/1163381396.db2.gz TZZYOULIURGWQP-MNOVXSKESA-N 1 2 298.818 1.738 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001132670798 1163433287 /nfs/dbraw/zinc/43/32/87/1163433287.db2.gz BBQIHNCJIMPNBF-JQWIXIFHSA-N 1 2 280.372 1.747 20 30 CDEDLO N#C[C@@H]1CCC[N@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC001606346299 1163871680 /nfs/dbraw/zinc/87/16/80/1163871680.db2.gz YSPNHKNHFKBGDR-LBPRGKRZSA-N 1 2 298.350 1.481 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC001606346299 1163871691 /nfs/dbraw/zinc/87/16/91/1163871691.db2.gz YSPNHKNHFKBGDR-LBPRGKRZSA-N 1 2 298.350 1.481 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001134053185 1164021717 /nfs/dbraw/zinc/02/17/17/1164021717.db2.gz OKCXYMUSYULOIF-UPJWGTAASA-N 1 2 293.367 1.341 20 30 CDEDLO Cn1nccc1C(=O)/C=C/c1ncc(C[NH+](C)C)s1 ZINC000794714464 1164575229 /nfs/dbraw/zinc/57/52/29/1164575229.db2.gz QQMJBNFZLITQRV-SNAWJCMRSA-N 1 2 276.365 1.834 20 30 CDEDLO C[NH+]1CCC(C#N)(NC(=O)c2ccc(F)c(C=O)c2)CC1 ZINC000865198855 1164620288 /nfs/dbraw/zinc/62/02/88/1164620288.db2.gz NLAOWPQVEOTZPC-UHFFFAOYSA-N 1 2 289.310 1.356 20 30 CDEDLO O=C(C=Cc1[nH]cc[nH+]1)c1ccc(-c2nn[nH]n2)cc1 ZINC001609519937 1164980717 /nfs/dbraw/zinc/98/07/17/1164980717.db2.gz VLGTZRKHULTNLR-AATRIKPKSA-N 1 2 266.264 1.486 20 30 CDEDLO CC#CC(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000870156997 1165143583 /nfs/dbraw/zinc/14/35/83/1165143583.db2.gz CCEFKWBXLWBESG-UHFFFAOYSA-N 1 2 272.348 1.363 20 30 CDEDLO CN(C)c1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1F ZINC000872241355 1165400820 /nfs/dbraw/zinc/40/08/20/1165400820.db2.gz CLHFBBAJMISUMX-ZDUSSCGKSA-N 1 2 294.374 1.510 20 30 CDEDLO CN(C)c1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1F ZINC000872241355 1165400824 /nfs/dbraw/zinc/40/08/24/1165400824.db2.gz CLHFBBAJMISUMX-ZDUSSCGKSA-N 1 2 294.374 1.510 20 30 CDEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ncnn2C)c1 ZINC000877047185 1165964876 /nfs/dbraw/zinc/96/48/76/1165964876.db2.gz YWAIOFFZZKPQFL-ZDUSSCGKSA-N 1 2 285.351 1.786 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3cncnc3)CC2)cc1 ZINC000877745266 1166092478 /nfs/dbraw/zinc/09/24/78/1166092478.db2.gz NHSOHRAWHDPJAD-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO N#Cc1cccc([C@H](O)C[N@@H+]2CCC[C@H](c3cnn[nH]3)C2)c1 ZINC001577717742 1171728377 /nfs/dbraw/zinc/72/83/77/1171728377.db2.gz PFNRBAWQHUSDEF-GOEBONIOSA-N 1 2 297.362 1.589 20 30 CDEDLO N#Cc1cccc([C@H](O)C[N@H+]2CCC[C@H](c3cnn[nH]3)C2)c1 ZINC001577717742 1171728380 /nfs/dbraw/zinc/72/83/80/1171728380.db2.gz PFNRBAWQHUSDEF-GOEBONIOSA-N 1 2 297.362 1.589 20 30 CDEDLO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC(C)C)C1 ZINC001713086039 1178358896 /nfs/dbraw/zinc/35/88/96/1178358896.db2.gz UTDCEUNTWDOFKN-AWEZNQCLSA-N 1 2 295.427 1.305 20 30 CDEDLO C=CCCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC(C)C)C1 ZINC001713086039 1178358902 /nfs/dbraw/zinc/35/89/02/1178358902.db2.gz UTDCEUNTWDOFKN-AWEZNQCLSA-N 1 2 295.427 1.305 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)NCc2ccccc2)CC1 ZINC000243651649 1180550111 /nfs/dbraw/zinc/55/01/11/1180550111.db2.gz OZYUKCXNISWFHX-UHFFFAOYSA-N 1 2 259.353 1.700 20 30 CDEDLO C=CCOCC(=O)NCC[N@@H+](C)Cc1cc(F)ccc1F ZINC001753043533 1185012211 /nfs/dbraw/zinc/01/22/11/1185012211.db2.gz DLHAPMNVWTXLDK-UHFFFAOYSA-N 1 2 298.333 1.715 20 30 CDEDLO C=CCOCC(=O)NCC[N@H+](C)Cc1cc(F)ccc1F ZINC001753043533 1185012215 /nfs/dbraw/zinc/01/22/15/1185012215.db2.gz DLHAPMNVWTXLDK-UHFFFAOYSA-N 1 2 298.333 1.715 20 30 CDEDLO C[C@H](NCC#N)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001753277399 1185139784 /nfs/dbraw/zinc/13/97/84/1185139784.db2.gz LRALSUHSRKQEQQ-ZDUSSCGKSA-N 1 2 289.383 1.013 20 30 CDEDLO C=CCOCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](F)CC ZINC001753418997 1185195950 /nfs/dbraw/zinc/19/59/50/1185195950.db2.gz YEJUEGQQESXGGP-AGIUHOORSA-N 1 2 270.348 1.222 20 30 CDEDLO C=CCOCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](F)CC ZINC001753418997 1185195953 /nfs/dbraw/zinc/19/59/53/1185195953.db2.gz YEJUEGQQESXGGP-AGIUHOORSA-N 1 2 270.348 1.222 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NC/C=C/C[NH2+]Cc1nnc(C)o1 ZINC001754166374 1185490055 /nfs/dbraw/zinc/49/00/55/1185490055.db2.gz KMNZLWDCBXKMDW-MVGZEHJDSA-N 1 2 292.383 1.742 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)OC ZINC001754301176 1185561247 /nfs/dbraw/zinc/56/12/47/1185561247.db2.gz KZIQRIZMMFDFBA-GHMZBOCLSA-N 1 2 262.781 1.600 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)OC ZINC001754301176 1185561249 /nfs/dbraw/zinc/56/12/49/1185561249.db2.gz KZIQRIZMMFDFBA-GHMZBOCLSA-N 1 2 262.781 1.600 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1(C)CC1)O2 ZINC001755054556 1185800790 /nfs/dbraw/zinc/80/07/90/1185800790.db2.gz PXVCFZAXTDIQKW-ZDUSSCGKSA-N 1 2 278.396 1.712 20 30 CDEDLO CCc1noc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C#CC2CC2)n1 ZINC001755258183 1185880024 /nfs/dbraw/zinc/88/00/24/1185880024.db2.gz ZTHKLZQXGQIIBZ-GHMZBOCLSA-N 1 2 290.367 1.028 20 30 CDEDLO C[C@H](CCCNCC#N)NC(=O)c1cccc2[nH+]ccn21 ZINC001755504381 1185974546 /nfs/dbraw/zinc/97/45/46/1185974546.db2.gz LVOOQLSJPCEHCQ-GFCCVEGCSA-N 1 2 285.351 1.346 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170714822 1163986634 /nfs/dbraw/zinc/98/66/34/1163986634.db2.gz BEVIHDKPQFMROY-MMWGEVLESA-N 1 2 257.399 1.872 20 30 CDEDLO N#CC1(C[NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)CCCC1 ZINC001608175880 1167922856 /nfs/dbraw/zinc/92/28/56/1167922856.db2.gz PJJLLDYRZGZAGW-UHFFFAOYSA-N 1 2 293.411 1.989 20 30 CDEDLO CCOC(=O)[C@H]1CC12CCC(N1CC[NH2+]C[C@@H]1C#N)CC2 ZINC001173607920 912647758 /nfs/dbraw/zinc/64/77/58/912647758.db2.gz LOAIHZSGUXZKAO-IOSBVQAASA-N 1 2 291.395 1.296 20 30 CDEDLO Cc1[nH+]c[nH]c1CSCCNC(=O)C(C)(C)C#N ZINC001143403149 896197034 /nfs/dbraw/zinc/19/70/34/896197034.db2.gz AEWVTCKHEVTERS-UHFFFAOYSA-N 1 2 266.370 1.617 20 30 CDEDLO COc1nc(NCc2cc[nH+]c(N)c2)ccc1C#N ZINC001167612352 897031486 /nfs/dbraw/zinc/03/14/86/897031486.db2.gz BDUPGKXZPHEPAQ-UHFFFAOYSA-N 1 2 255.281 1.551 20 30 CDEDLO COC(OC)c1c(C#N)ccnc1NCc1cc[nH+]c(N)c1 ZINC001167613099 897031550 /nfs/dbraw/zinc/03/15/50/897031550.db2.gz HSJBOOJHIDVBPY-UHFFFAOYSA-N 1 2 299.334 1.834 20 30 CDEDLO Cc1nc(NC[C@H](C)N(C)C(=O)CSCC#N)cc[nH+]1 ZINC001104463849 897320149 /nfs/dbraw/zinc/32/01/49/897320149.db2.gz HHCKFHOCJWHAHJ-JTQLQIEISA-N 1 2 293.396 1.301 20 30 CDEDLO C[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCCS1(=O)=O ZINC000694479623 898469170 /nfs/dbraw/zinc/46/91/70/898469170.db2.gz VCOHSOAUHWMPDK-CQSZACIVSA-N 1 2 278.377 1.567 20 30 CDEDLO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCCS1(=O)=O ZINC000694479623 898469176 /nfs/dbraw/zinc/46/91/76/898469176.db2.gz VCOHSOAUHWMPDK-CQSZACIVSA-N 1 2 278.377 1.567 20 30 CDEDLO Cc1nc(N2CCC[C@H](NC(=O)[C@H](C)C#N)CC2)cc[nH+]1 ZINC001111980158 898619908 /nfs/dbraw/zinc/61/99/08/898619908.db2.gz SQGHZPBKZBYTJK-YPMHNXCESA-N 1 2 287.367 1.420 20 30 CDEDLO Cc1[nH]c(NC(=O)CCn2cc[nH+]c2)c(C#N)c1C ZINC001176873292 914318430 /nfs/dbraw/zinc/31/84/30/914318430.db2.gz GDLVLGRLSSPWRN-UHFFFAOYSA-N 1 2 257.297 1.729 20 30 CDEDLO C#CCCCCC(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001125938758 900088367 /nfs/dbraw/zinc/08/83/67/900088367.db2.gz JBKSVFJVMVECKV-LLVKDONJSA-N 1 2 278.356 1.338 20 30 CDEDLO C=CCCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCCO)[C@H]2C1 ZINC001177087707 914487947 /nfs/dbraw/zinc/48/79/47/914487947.db2.gz FVBIBUPKHIERMS-GJZGRUSLSA-N 1 2 296.411 1.027 20 30 CDEDLO C=CCCCC(=O)N1CC[C@@H]2OCC[N@H+](CCCO)[C@H]2C1 ZINC001177087707 914487959 /nfs/dbraw/zinc/48/79/59/914487959.db2.gz FVBIBUPKHIERMS-GJZGRUSLSA-N 1 2 296.411 1.027 20 30 CDEDLO C#CCCCC(=O)NCC[NH2+]Cc1ncc(CC)o1 ZINC001126332948 901547353 /nfs/dbraw/zinc/54/73/53/901547353.db2.gz JDTXMPHSNFCRAS-UHFFFAOYSA-N 1 2 263.341 1.246 20 30 CDEDLO C=CCO[C@@H](C)C(=O)NCCC[NH2+][C@@H](C)c1noc(C)n1 ZINC001177273022 914581966 /nfs/dbraw/zinc/58/19/66/914581966.db2.gz FJELUJXCAGYXBT-QWRGUYRKSA-N 1 2 296.371 1.126 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2nc(C)sc2C)CC1 ZINC001177271406 914582639 /nfs/dbraw/zinc/58/26/39/914582639.db2.gz SYDAPZVIANFPBK-UHFFFAOYSA-N 1 2 279.409 1.633 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ncccc2C)CC1 ZINC001177456985 914685954 /nfs/dbraw/zinc/68/59/54/914685954.db2.gz DBTUNFWODYXRMU-UHFFFAOYSA-N 1 2 259.353 1.263 20 30 CDEDLO CCC(CO)(CO)Nc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001167970243 904854887 /nfs/dbraw/zinc/85/48/87/904854887.db2.gz JVNDBWGQBSXTTF-UHFFFAOYSA-N 1 2 261.325 1.182 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C(C)(F)F ZINC001271951777 907024285 /nfs/dbraw/zinc/02/42/85/907024285.db2.gz SBYBKFPVCHUFFC-UHFFFAOYSA-N 1 2 254.708 1.784 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C(C)(F)F ZINC001271951777 907024296 /nfs/dbraw/zinc/02/42/96/907024296.db2.gz SBYBKFPVCHUFFC-UHFFFAOYSA-N 1 2 254.708 1.784 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nc([C@@H](C)OC)no1 ZINC001128405411 921295848 /nfs/dbraw/zinc/29/58/48/921295848.db2.gz YFOFNVAPGBNNAH-LLVKDONJSA-N 1 2 296.371 1.339 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCO2)[C@H]1C ZINC001088458888 907334288 /nfs/dbraw/zinc/33/42/88/907334288.db2.gz SDXMWQMDRKKKKG-GRYCIOLGSA-N 1 2 272.776 1.497 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCO2)[C@H]1C ZINC001088458888 907334304 /nfs/dbraw/zinc/33/43/04/907334304.db2.gz SDXMWQMDRKKKKG-GRYCIOLGSA-N 1 2 272.776 1.497 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2)[C@@H](O)C1 ZINC001090025217 921384013 /nfs/dbraw/zinc/38/40/13/921384013.db2.gz CYRSFSHDUDTCDH-KBPBESRZSA-N 1 2 294.782 1.604 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2)[C@@H](O)C1 ZINC001090025217 921384020 /nfs/dbraw/zinc/38/40/20/921384020.db2.gz CYRSFSHDUDTCDH-KBPBESRZSA-N 1 2 294.782 1.604 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)oc3ccccc32)C1 ZINC001077050686 910164252 /nfs/dbraw/zinc/16/42/52/910164252.db2.gz ZRWQCPQGASTCMW-ZIAGYGMSSA-N 1 2 298.342 1.149 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)oc3ccccc32)C1 ZINC001077050686 910164264 /nfs/dbraw/zinc/16/42/64/910164264.db2.gz ZRWQCPQGASTCMW-ZIAGYGMSSA-N 1 2 298.342 1.149 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](C)COC)CC2)C1 ZINC001105698046 910678173 /nfs/dbraw/zinc/67/81/73/910678173.db2.gz DFAOTMXBSVZWHI-ZDUSSCGKSA-N 1 2 296.411 1.147 20 30 CDEDLO C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1ccc(F)cc1C#N ZINC000698194062 911382254 /nfs/dbraw/zinc/38/22/54/911382254.db2.gz KZGFLXHIPFAGEC-KBPBESRZSA-N 1 2 264.300 1.015 20 30 CDEDLO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(F)cc1C#N ZINC000698194062 911382237 /nfs/dbraw/zinc/38/22/37/911382237.db2.gz KZGFLXHIPFAGEC-KBPBESRZSA-N 1 2 264.300 1.015 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001030383987 911735428 /nfs/dbraw/zinc/73/54/28/911735428.db2.gz SGLWXKSOENCTRX-LBPRGKRZSA-N 1 2 274.368 1.291 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C=C(C)C)[C@@H](O)C1 ZINC001099656193 921682097 /nfs/dbraw/zinc/68/20/97/921682097.db2.gz AOXLKFNGQBEODQ-NEPJUHHUSA-N 1 2 272.776 1.257 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C=C(C)C)[C@@H](O)C1 ZINC001099656193 921682102 /nfs/dbraw/zinc/68/21/02/921682102.db2.gz AOXLKFNGQBEODQ-NEPJUHHUSA-N 1 2 272.776 1.257 20 30 CDEDLO C=CC[C@@H]([NH2+][C@@H]1CCc2ncsc2C1)C(=O)OC ZINC001173130024 912186495 /nfs/dbraw/zinc/18/64/95/912186495.db2.gz VDGGBZKFDIXKHB-MWLCHTKSSA-N 1 2 266.366 1.708 20 30 CDEDLO COC(=O)c1cc(C#N)cc(NC(=O)[C@@H](C)n2cc[nH+]c2)c1 ZINC001177927233 915054188 /nfs/dbraw/zinc/05/41/88/915054188.db2.gz VSQIQICYQPSLPI-SNVBAGLBSA-N 1 2 298.302 1.741 20 30 CDEDLO N#CC1(NC(=O)CCc2[nH]cc[nH+]2)Cc2ccccc2C1 ZINC001178000381 915087108 /nfs/dbraw/zinc/08/71/08/915087108.db2.gz LLVXSSHLMMWQLQ-UHFFFAOYSA-N 1 2 280.331 1.520 20 30 CDEDLO CC(C)(S)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178119255 915185351 /nfs/dbraw/zinc/18/53/51/915185351.db2.gz LZXZMFUOKGKROE-SECBINFHSA-N 1 2 253.371 1.270 20 30 CDEDLO C#CCCC1(CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)N=N1 ZINC001178122430 915229052 /nfs/dbraw/zinc/22/90/52/915229052.db2.gz SYJTYXKHRXHLMR-LBPRGKRZSA-N 1 2 285.351 1.527 20 30 CDEDLO C[C@H](C#N)C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC001180769169 916630552 /nfs/dbraw/zinc/63/05/52/916630552.db2.gz SMCRNZSUUHTFFM-MRVPVSSYSA-N 1 2 258.368 1.401 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001097794130 936380193 /nfs/dbraw/zinc/38/01/93/936380193.db2.gz KAXUJJAZHLKRJM-YGRLFVJLSA-N 1 2 278.356 1.029 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1c[nH]nc1CC ZINC001485324167 916845604 /nfs/dbraw/zinc/84/56/04/916845604.db2.gz XKIUNOZUXPRZRG-JTQLQIEISA-N 1 2 284.791 1.775 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1c[nH]nc1CC ZINC001485324167 916845615 /nfs/dbraw/zinc/84/56/15/916845615.db2.gz XKIUNOZUXPRZRG-JTQLQIEISA-N 1 2 284.791 1.775 20 30 CDEDLO N#Cc1ccc2c(c1)CCN(C(=O)Cc1cc[nH+]c(N)c1)C2 ZINC001181240766 916910721 /nfs/dbraw/zinc/91/07/21/916910721.db2.gz SFPDTOPRDBXCPL-UHFFFAOYSA-N 1 2 292.342 1.663 20 30 CDEDLO C#CC[NH2+]C[C@]1(C)CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001181565943 917202241 /nfs/dbraw/zinc/20/22/41/917202241.db2.gz SVSKEBUPOLPRDZ-JFGNBEQYSA-N 1 2 294.292 1.594 20 30 CDEDLO C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C ZINC001181565943 917202251 /nfs/dbraw/zinc/20/22/51/917202251.db2.gz SVSKEBUPOLPRDZ-JFGNBEQYSA-N 1 2 294.292 1.594 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(C(F)F)c2)C1 ZINC001077576642 917593276 /nfs/dbraw/zinc/59/32/76/917593276.db2.gz WYEVAJJLXSLZNM-GHMZBOCLSA-N 1 2 298.289 1.015 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(C(F)F)c2)C1 ZINC001077576642 917593291 /nfs/dbraw/zinc/59/32/91/917593291.db2.gz WYEVAJJLXSLZNM-GHMZBOCLSA-N 1 2 298.289 1.015 20 30 CDEDLO N#Cc1ccc2c(c1)N(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001138025344 936455940 /nfs/dbraw/zinc/45/59/40/936455940.db2.gz FTPWJGVIISACFX-UHFFFAOYSA-N 1 2 252.277 1.413 20 30 CDEDLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)s1 ZINC001032235190 918045855 /nfs/dbraw/zinc/04/58/55/918045855.db2.gz AYBOUCYBEZPYOI-QWRGUYRKSA-N 1 2 261.350 1.425 20 30 CDEDLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)s1 ZINC001032235190 918045863 /nfs/dbraw/zinc/04/58/63/918045863.db2.gz AYBOUCYBEZPYOI-QWRGUYRKSA-N 1 2 261.350 1.425 20 30 CDEDLO N#Cc1ccc(OCC(=O)Nc2cc[nH+]c3c2CCC3)cc1 ZINC001182913789 918214596 /nfs/dbraw/zinc/21/45/96/918214596.db2.gz GATNGDUTQJBNSA-UHFFFAOYSA-N 1 2 293.326 1.881 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@]23CCCOC3)CC1 ZINC001183713771 918639456 /nfs/dbraw/zinc/63/94/56/918639456.db2.gz CQHHMVCMCJONBI-ZFWWWQNUSA-N 1 2 264.369 1.133 20 30 CDEDLO C[C@H](CNc1ccc(C#N)nc1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001107707518 918657093 /nfs/dbraw/zinc/65/70/93/918657093.db2.gz QFRALKOAEMIUQA-LLVKDONJSA-N 1 2 298.350 1.226 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1occc1C ZINC001050823260 936565496 /nfs/dbraw/zinc/56/54/96/936565496.db2.gz RMWKDIKNRJJVOL-CYBMUJFWSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1occc1C ZINC001050823260 936565497 /nfs/dbraw/zinc/56/54/97/936565497.db2.gz RMWKDIKNRJJVOL-CYBMUJFWSA-N 1 2 278.352 1.595 20 30 CDEDLO CCOC(=O)c1n[nH]cc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001138855153 936575192 /nfs/dbraw/zinc/57/51/92/936575192.db2.gz GDNIIZXQSZHINS-UOJUARBOSA-N 1 2 288.351 1.853 20 30 CDEDLO CCOC(=O)c1n[nH]cc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001138855153 936575193 /nfs/dbraw/zinc/57/51/93/936575193.db2.gz GDNIIZXQSZHINS-UOJUARBOSA-N 1 2 288.351 1.853 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CC(C)(C)C=C)C1 ZINC001107971445 919368773 /nfs/dbraw/zinc/36/87/73/919368773.db2.gz SBLZUYYATIUBRA-MRXNPFEDSA-N 1 2 280.412 1.982 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CC(C)(C)C=C)C1 ZINC001107971445 919368788 /nfs/dbraw/zinc/36/87/88/919368788.db2.gz SBLZUYYATIUBRA-MRXNPFEDSA-N 1 2 280.412 1.982 20 30 CDEDLO Cc1n[nH]c(C)c1C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001139096006 936595928 /nfs/dbraw/zinc/59/59/28/936595928.db2.gz OJJLYYSXFZNHAM-GFCCVEGCSA-N 1 2 263.366 1.801 20 30 CDEDLO Cc1n[nH]c(C)c1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001139096006 936595930 /nfs/dbraw/zinc/59/59/30/936595930.db2.gz OJJLYYSXFZNHAM-GFCCVEGCSA-N 1 2 263.366 1.801 20 30 CDEDLO C#CCC1(C(=O)NC[C@]2(C)C[N@H+](CC=C)CCO2)CCC1 ZINC001107990927 919804085 /nfs/dbraw/zinc/80/40/85/919804085.db2.gz QYHZKQOKLBLVDM-MRXNPFEDSA-N 1 2 290.407 1.573 20 30 CDEDLO C#CCC1(C(=O)NC[C@]2(C)C[N@@H+](CC=C)CCO2)CCC1 ZINC001107990927 919804096 /nfs/dbraw/zinc/80/40/96/919804096.db2.gz QYHZKQOKLBLVDM-MRXNPFEDSA-N 1 2 290.407 1.573 20 30 CDEDLO COc1ccc(OC)c(C[NH+]2CC(CC#N)C2)c1N ZINC001139272100 936612593 /nfs/dbraw/zinc/61/25/93/936612593.db2.gz JAJLGINYVBUCMV-UHFFFAOYSA-N 1 2 261.325 1.631 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001078059852 920083089 /nfs/dbraw/zinc/08/30/89/920083089.db2.gz GUFGFFFJPLVEET-ZIAGYGMSSA-N 1 2 292.766 1.138 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001078059852 920083100 /nfs/dbraw/zinc/08/31/00/920083100.db2.gz GUFGFFFJPLVEET-ZIAGYGMSSA-N 1 2 292.766 1.138 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnoc2-c2ccco2)C1 ZINC001043125410 920167283 /nfs/dbraw/zinc/16/72/83/920167283.db2.gz DHHWWIKFYDWDGE-UHFFFAOYSA-N 1 2 299.330 1.714 20 30 CDEDLO COC(=O)N1CC[NH+](Cc2c[nH]c3c2cccc3C#N)CC1 ZINC001139701570 936637628 /nfs/dbraw/zinc/63/76/28/936637628.db2.gz KGXXWGPBDNNAGK-UHFFFAOYSA-N 1 2 298.346 1.924 20 30 CDEDLO N#Cc1ccccc1N1CC[NH+](Cc2cccnn2)CC1 ZINC001139969972 936662328 /nfs/dbraw/zinc/66/23/28/936662328.db2.gz JFTOIWBSBOLWRT-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO N#Cc1cccc(N2CC[NH+](Cc3nccnc3N)CC2)c1 ZINC001140012220 936668315 /nfs/dbraw/zinc/66/83/15/936668315.db2.gz LWPXIWJLLHHURV-UHFFFAOYSA-N 1 2 294.362 1.253 20 30 CDEDLO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1n[nH]cc1Cl ZINC001187848418 920689389 /nfs/dbraw/zinc/68/93/89/920689389.db2.gz MNMJFBZLZJTAIP-VIFPVBQESA-N 1 2 268.748 1.443 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1n[nH]cc1Cl ZINC001187848418 920689394 /nfs/dbraw/zinc/68/93/94/920689394.db2.gz MNMJFBZLZJTAIP-VIFPVBQESA-N 1 2 268.748 1.443 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(OCC)cn2)CC1 ZINC001190786067 922199612 /nfs/dbraw/zinc/19/96/12/922199612.db2.gz QOEVGIHFEUQPBP-UHFFFAOYSA-N 1 2 275.352 1.424 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)N[C@@H](CC(C)C)C(=O)OC)CC1 ZINC001190792543 922202921 /nfs/dbraw/zinc/20/29/21/922202921.db2.gz RSSIMEJGIWFQCP-ZDUSSCGKSA-N 1 2 297.399 1.087 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)C=CCC3)[C@@H](O)C1 ZINC001083855563 922343534 /nfs/dbraw/zinc/34/35/34/922343534.db2.gz RFTVCNGYBKGPJO-SJORKVTESA-N 1 2 296.370 1.054 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)C=CCC3)[C@@H](O)C1 ZINC001083855563 922343550 /nfs/dbraw/zinc/34/35/50/922343550.db2.gz RFTVCNGYBKGPJO-SJORKVTESA-N 1 2 296.370 1.054 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NC[C@]1(C)C[N@H+](CC#CC)CCO1 ZINC001108151143 922792714 /nfs/dbraw/zinc/79/27/14/922792714.db2.gz NKJXKPKNLOSQHA-DOTOQJQBSA-N 1 2 292.423 1.819 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NC[C@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001108151143 922792720 /nfs/dbraw/zinc/79/27/20/922792720.db2.gz NKJXKPKNLOSQHA-DOTOQJQBSA-N 1 2 292.423 1.819 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC23CCCC3)C1 ZINC001035564343 923008100 /nfs/dbraw/zinc/00/81/00/923008100.db2.gz WAFXLKPHNJJYDC-KBPBESRZSA-N 1 2 278.396 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC23CCCC3)C1 ZINC001035564343 923008114 /nfs/dbraw/zinc/00/81/14/923008114.db2.gz WAFXLKPHNJJYDC-KBPBESRZSA-N 1 2 278.396 1.570 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)/C=C\C2CC2)[C@@H](O)C1 ZINC001099766898 936807160 /nfs/dbraw/zinc/80/71/60/936807160.db2.gz RNWNWLGEPSLZQJ-AIMRDXAKSA-N 1 2 284.787 1.257 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)/C=C\C2CC2)[C@@H](O)C1 ZINC001099766898 936807162 /nfs/dbraw/zinc/80/71/62/936807162.db2.gz RNWNWLGEPSLZQJ-AIMRDXAKSA-N 1 2 284.787 1.257 20 30 CDEDLO Cn1ncc2c1C[N@H+](Cc1cccc(C#N)c1)CC2 ZINC001203764472 923238363 /nfs/dbraw/zinc/23/83/63/923238363.db2.gz PVYVYTXQNUDWOG-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO Cn1ncc2c1C[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC001203764472 923238371 /nfs/dbraw/zinc/23/83/71/923238371.db2.gz PVYVYTXQNUDWOG-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1O ZINC001193400358 923660380 /nfs/dbraw/zinc/66/03/80/923660380.db2.gz MWWMVMUUQBZOCW-CHWSQXEVSA-N 1 2 295.408 1.161 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1O ZINC001193400358 923660394 /nfs/dbraw/zinc/66/03/94/923660394.db2.gz MWWMVMUUQBZOCW-CHWSQXEVSA-N 1 2 295.408 1.161 20 30 CDEDLO C=CCOC(=O)NCc1c[nH+]cn1C1CCOCC1 ZINC001194347050 924195334 /nfs/dbraw/zinc/19/53/34/924195334.db2.gz PMHBNXWRKJQWQJ-UHFFFAOYSA-N 1 2 265.313 1.647 20 30 CDEDLO C=C[C@@H](CO)NC(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC001194917609 924393221 /nfs/dbraw/zinc/39/32/21/924393221.db2.gz NTGNOLAINXZNRO-ZDUSSCGKSA-N 1 2 271.320 1.364 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cnc(C)o2)C1 ZINC001079842740 924436439 /nfs/dbraw/zinc/43/64/39/924436439.db2.gz PMKLCFZNFNCUGM-NOZJJQNGSA-N 1 2 297.786 1.715 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cnc(C)o2)C1 ZINC001079842740 924436447 /nfs/dbraw/zinc/43/64/47/924436447.db2.gz PMKLCFZNFNCUGM-NOZJJQNGSA-N 1 2 297.786 1.715 20 30 CDEDLO Cc1cc(N(C(N)=[NH2+])C(=O)c2cc(C)cc(C#N)c2)n[nH]1 ZINC001195448565 924596688 /nfs/dbraw/zinc/59/66/88/924596688.db2.gz RTNCICPKTHKPIS-UHFFFAOYSA-N 1 2 282.307 1.438 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001195554434 924640094 /nfs/dbraw/zinc/64/00/94/924640094.db2.gz IHUBJVNMDSIDPB-GDNMSKEOSA-N 1 2 286.803 1.503 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001195554434 924640098 /nfs/dbraw/zinc/64/00/98/924640098.db2.gz IHUBJVNMDSIDPB-GDNMSKEOSA-N 1 2 286.803 1.503 20 30 CDEDLO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2scnc2Cl)C1 ZINC001080954268 924668755 /nfs/dbraw/zinc/66/87/55/924668755.db2.gz XTONRJAXGLNJMT-RKDXNWHRSA-N 1 2 283.784 1.480 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2scnc2Cl)C1 ZINC001080954268 924668760 /nfs/dbraw/zinc/66/87/60/924668760.db2.gz XTONRJAXGLNJMT-RKDXNWHRSA-N 1 2 283.784 1.480 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C23CCC(CC2)C3)[C@H](OC)C1 ZINC001081857932 924815454 /nfs/dbraw/zinc/81/54/54/924815454.db2.gz LXBSAHALDUDNPW-MYMJJRTCSA-N 1 2 276.380 1.015 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C23CCC(CC2)C3)[C@H](OC)C1 ZINC001081857932 924815459 /nfs/dbraw/zinc/81/54/59/924815459.db2.gz LXBSAHALDUDNPW-MYMJJRTCSA-N 1 2 276.380 1.015 20 30 CDEDLO N#Cc1cccnc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001196552961 924938027 /nfs/dbraw/zinc/93/80/27/924938027.db2.gz GLJQKXPXROAQEF-UHFFFAOYSA-N 1 2 281.319 1.627 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC(C)C)OC)C1 ZINC001108192874 925002754 /nfs/dbraw/zinc/00/27/54/925002754.db2.gz UOQURWPGJZYJFR-ZBFHGGJFSA-N 1 2 298.427 1.441 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC(C)C)OC)C1 ZINC001108192874 925002764 /nfs/dbraw/zinc/00/27/64/925002764.db2.gz UOQURWPGJZYJFR-ZBFHGGJFSA-N 1 2 298.427 1.441 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)on1 ZINC001084333501 925232334 /nfs/dbraw/zinc/23/23/34/925232334.db2.gz VWYDQUOMHNHLOO-GDBMZVCRSA-N 1 2 299.374 1.429 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)on1 ZINC001084333501 925232338 /nfs/dbraw/zinc/23/23/38/925232338.db2.gz VWYDQUOMHNHLOO-GDBMZVCRSA-N 1 2 299.374 1.429 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3=CCOCC3)[C@@H]2C1 ZINC001084299443 925235018 /nfs/dbraw/zinc/23/50/18/925235018.db2.gz VRJZQNACYJEXOM-ZIAGYGMSSA-N 1 2 296.798 1.618 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3=CCOCC3)[C@@H]2C1 ZINC001084299443 925235025 /nfs/dbraw/zinc/23/50/25/925235025.db2.gz VRJZQNACYJEXOM-ZIAGYGMSSA-N 1 2 296.798 1.618 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(Cl)no3)[C@@H]2C1 ZINC001084789602 925428438 /nfs/dbraw/zinc/42/84/38/925428438.db2.gz PLPRZFLTDIIITA-NXEZZACHSA-N 1 2 279.727 1.108 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Cl)no3)[C@@H]2C1 ZINC001084789602 925428442 /nfs/dbraw/zinc/42/84/42/925428442.db2.gz PLPRZFLTDIIITA-NXEZZACHSA-N 1 2 279.727 1.108 20 30 CDEDLO C=C/C(C)=C/CC(=O)N[C@@H]1CC[N@H+](CC(=C)Cl)C[C@H]1O ZINC001099953446 925825091 /nfs/dbraw/zinc/82/50/91/925825091.db2.gz AAUCENFPULQDFZ-NCWPGJITSA-N 1 2 298.814 1.813 20 30 CDEDLO C=C/C(C)=C/CC(=O)N[C@@H]1CC[N@@H+](CC(=C)Cl)C[C@H]1O ZINC001099953446 925825107 /nfs/dbraw/zinc/82/51/07/925825107.db2.gz AAUCENFPULQDFZ-NCWPGJITSA-N 1 2 298.814 1.813 20 30 CDEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1nnc(C)o1 ZINC001273792150 925898678 /nfs/dbraw/zinc/89/86/78/925898678.db2.gz JVYJCYNZVXLDIC-OAHLLOKOSA-N 1 2 290.367 1.521 20 30 CDEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1nnc(C)o1 ZINC001273792150 925898687 /nfs/dbraw/zinc/89/86/87/925898687.db2.gz JVYJCYNZVXLDIC-OAHLLOKOSA-N 1 2 290.367 1.521 20 30 CDEDLO Cc1nc(N[C@H](C)CNC(=O)Cc2c[nH]c[nH+]2)ccc1C#N ZINC001098306988 925909549 /nfs/dbraw/zinc/90/95/49/925909549.db2.gz RHJZBYGMJVCONN-SNVBAGLBSA-N 1 2 298.350 1.144 20 30 CDEDLO CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001085445615 925974397 /nfs/dbraw/zinc/97/43/97/925974397.db2.gz LAVUACLSLIPMDR-AWEZNQCLSA-N 1 2 275.327 1.750 20 30 CDEDLO CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001085445615 925974400 /nfs/dbraw/zinc/97/44/00/925974400.db2.gz LAVUACLSLIPMDR-AWEZNQCLSA-N 1 2 275.327 1.750 20 30 CDEDLO CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085445491 925974497 /nfs/dbraw/zinc/97/44/97/925974497.db2.gz HXYVARQETGOJHJ-LLVKDONJSA-N 1 2 263.366 1.672 20 30 CDEDLO CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085445491 925974508 /nfs/dbraw/zinc/97/45/08/925974508.db2.gz HXYVARQETGOJHJ-LLVKDONJSA-N 1 2 263.366 1.672 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CN(C)C(C)=O ZINC001085446163 925976394 /nfs/dbraw/zinc/97/63/94/925976394.db2.gz XSPHWYFYJXPZDC-HNNXBMFYSA-N 1 2 287.363 1.619 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CN(C)C(C)=O ZINC001085446163 925976395 /nfs/dbraw/zinc/97/63/95/925976395.db2.gz XSPHWYFYJXPZDC-HNNXBMFYSA-N 1 2 287.363 1.619 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1n[nH]c(C)c1C ZINC001085523273 926107810 /nfs/dbraw/zinc/10/78/10/926107810.db2.gz HWPSVWUVGVTDBK-ZDUSSCGKSA-N 1 2 274.368 1.196 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1n[nH]c(C)c1C ZINC001085523273 926107815 /nfs/dbraw/zinc/10/78/15/926107815.db2.gz HWPSVWUVGVTDBK-ZDUSSCGKSA-N 1 2 274.368 1.196 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)c(C)o1 ZINC001085541586 926128921 /nfs/dbraw/zinc/12/89/21/926128921.db2.gz DFIXLCRMAHNEBS-CYBMUJFWSA-N 1 2 260.337 1.676 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)c(C)o1 ZINC001085541586 926128922 /nfs/dbraw/zinc/12/89/22/926128922.db2.gz DFIXLCRMAHNEBS-CYBMUJFWSA-N 1 2 260.337 1.676 20 30 CDEDLO CN(C[C@H]1CC[N@@H+]1C/C=C/Cl)C(=O)c1c[nH]c(C#N)c1 ZINC001085556562 926147843 /nfs/dbraw/zinc/14/78/43/926147843.db2.gz UNSPMGXLHBKVAM-CXLRFSCWSA-N 1 2 292.770 1.785 20 30 CDEDLO CN(C[C@H]1CC[N@H+]1C/C=C/Cl)C(=O)c1c[nH]c(C#N)c1 ZINC001085556562 926147848 /nfs/dbraw/zinc/14/78/48/926147848.db2.gz UNSPMGXLHBKVAM-CXLRFSCWSA-N 1 2 292.770 1.785 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccnn1[C@@H](C)CC ZINC001085623080 926221048 /nfs/dbraw/zinc/22/10/48/926221048.db2.gz KDXSPQICTWLWQZ-UONOGXRCSA-N 1 2 288.395 1.634 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccnn1[C@@H](C)CC ZINC001085623080 926221057 /nfs/dbraw/zinc/22/10/57/926221057.db2.gz KDXSPQICTWLWQZ-UONOGXRCSA-N 1 2 288.395 1.634 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccnc(CCC)c1 ZINC001085654837 926252501 /nfs/dbraw/zinc/25/25/01/926252501.db2.gz ZUDPLLWAHSPETG-INIZCTEOSA-N 1 2 285.391 1.814 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccnc(CCC)c1 ZINC001085654837 926252507 /nfs/dbraw/zinc/25/25/07/926252507.db2.gz ZUDPLLWAHSPETG-INIZCTEOSA-N 1 2 285.391 1.814 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001085654446 926253836 /nfs/dbraw/zinc/25/38/36/926253836.db2.gz PAYIEEDNLJKTBK-LBPRGKRZSA-N 1 2 299.330 1.313 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001085654446 926253847 /nfs/dbraw/zinc/25/38/47/926253847.db2.gz PAYIEEDNLJKTBK-LBPRGKRZSA-N 1 2 299.330 1.313 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)cc(C)n1 ZINC001085685766 926281950 /nfs/dbraw/zinc/28/19/50/926281950.db2.gz AOICVUMINMNGGF-CQSZACIVSA-N 1 2 271.364 1.478 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)cc(C)n1 ZINC001085685766 926281958 /nfs/dbraw/zinc/28/19/58/926281958.db2.gz AOICVUMINMNGGF-CQSZACIVSA-N 1 2 271.364 1.478 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]nc1CCC ZINC001085686831 926286103 /nfs/dbraw/zinc/28/61/03/926286103.db2.gz CDQLUPOJQQIRAG-GFCCVEGCSA-N 1 2 274.368 1.142 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]nc1CCC ZINC001085686831 926286113 /nfs/dbraw/zinc/28/61/13/926286113.db2.gz CDQLUPOJQQIRAG-GFCCVEGCSA-N 1 2 274.368 1.142 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OC)cs1 ZINC001085758834 926364097 /nfs/dbraw/zinc/36/40/97/926364097.db2.gz RLRARDTZEYEXHA-GFCCVEGCSA-N 1 2 292.404 1.926 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OC)cs1 ZINC001085758834 926364100 /nfs/dbraw/zinc/36/41/00/926364100.db2.gz RLRARDTZEYEXHA-GFCCVEGCSA-N 1 2 292.404 1.926 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](CC)Nc1cc[nH+]c(C)n1 ZINC001103072101 937120279 /nfs/dbraw/zinc/12/02/79/937120279.db2.gz MFOWNYFDPQXEDD-DOMZBBRYSA-N 1 2 292.383 1.419 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(C)cc(OC)c2)CC1 ZINC001143157035 937126752 /nfs/dbraw/zinc/12/67/52/937126752.db2.gz WLKDQJFCDCFVBN-UHFFFAOYSA-N 1 2 258.365 1.754 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cc3cccnc3[nH]2)CC1 ZINC001143221020 937138932 /nfs/dbraw/zinc/13/89/32/937138932.db2.gz XUKSIXNDRYBEFC-UHFFFAOYSA-N 1 2 269.352 1.594 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2nccs2)C1 ZINC001108299113 927355942 /nfs/dbraw/zinc/35/59/42/927355942.db2.gz GHFJFYWDFWGFFA-ZDUSSCGKSA-N 1 2 281.381 1.150 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2nccs2)C1 ZINC001108299113 927355951 /nfs/dbraw/zinc/35/59/51/927355951.db2.gz GHFJFYWDFWGFFA-ZDUSSCGKSA-N 1 2 281.381 1.150 20 30 CDEDLO C=CCc1c(Cl)ncnc1N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001169129419 927744296 /nfs/dbraw/zinc/74/42/96/927744296.db2.gz NWSTZEGRDADYIJ-SCZZXKLOSA-N 1 2 296.758 1.174 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1csc2ncnc(Cl)c12 ZINC001156319699 928035541 /nfs/dbraw/zinc/03/55/41/928035541.db2.gz AZVFSZNBKQSIGB-ZETCQYMHSA-N 1 2 279.756 1.646 20 30 CDEDLO COc1ccc2nc(N3CC[NH2+]C[C@@H]3C#N)cc(C)c2c1 ZINC001156319941 928039840 /nfs/dbraw/zinc/03/98/40/928039840.db2.gz KHCIYXINCHZSBA-LBPRGKRZSA-N 1 2 282.347 1.854 20 30 CDEDLO C=C(C)COCCNC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC001150437926 937230786 /nfs/dbraw/zinc/23/07/86/937230786.db2.gz BHQPHUNFZQGDGP-HUUCEWRRSA-N 1 2 298.427 1.585 20 30 CDEDLO C=C(C)COCCNC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC001150437926 937230787 /nfs/dbraw/zinc/23/07/87/937230787.db2.gz BHQPHUNFZQGDGP-HUUCEWRRSA-N 1 2 298.427 1.585 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001206640592 937280797 /nfs/dbraw/zinc/28/07/97/937280797.db2.gz HXGKRKBNIFDMEI-FXPVBKGRSA-N 1 2 255.749 1.335 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001206640592 937280800 /nfs/dbraw/zinc/28/08/00/937280800.db2.gz HXGKRKBNIFDMEI-FXPVBKGRSA-N 1 2 255.749 1.335 20 30 CDEDLO C[NH2+][C@@H]1CCN1C(F)(F)c1nc(Cl)ccc1C#N ZINC001156657386 928893858 /nfs/dbraw/zinc/89/38/58/928893858.db2.gz AHRYFFFWOFHAQW-VIFPVBQESA-N 1 2 272.686 1.907 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2(CCOCC)CCC2)CC1 ZINC001112859175 929499537 /nfs/dbraw/zinc/49/95/37/929499537.db2.gz WYFZKDPMAQDQDY-UHFFFAOYSA-N 1 2 280.412 1.914 20 30 CDEDLO C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001114327850 929504720 /nfs/dbraw/zinc/50/47/20/929504720.db2.gz DNCOTDIGZCXXDC-NHAGDIPZSA-N 1 2 289.379 1.823 20 30 CDEDLO C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001114327850 929504725 /nfs/dbraw/zinc/50/47/25/929504725.db2.gz DNCOTDIGZCXXDC-NHAGDIPZSA-N 1 2 289.379 1.823 20 30 CDEDLO Cc1nc(N[C@@H](C)CN(C)C(=O)CSCC#N)cc[nH+]1 ZINC001115630023 937405183 /nfs/dbraw/zinc/40/51/83/937405183.db2.gz BWWVMHSJCXLDHT-JTQLQIEISA-N 1 2 293.396 1.301 20 30 CDEDLO C=CCC1(C(=O)NCC[NH2+]Cc2csnn2)CCCC1 ZINC001153817507 937473465 /nfs/dbraw/zinc/47/34/65/937473465.db2.gz PRCCPMMWCVZPSW-UHFFFAOYSA-N 1 2 294.424 1.880 20 30 CDEDLO C#CCNC(=O)[C@@H]1CC12CCN(c1cccc[nH+]1)CC2 ZINC001274739259 931562800 /nfs/dbraw/zinc/56/28/00/931562800.db2.gz DHLGQAYRRDFWJT-ZDUSSCGKSA-N 1 2 269.348 1.438 20 30 CDEDLO O=C(CCS)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001143986734 931609079 /nfs/dbraw/zinc/60/90/79/931609079.db2.gz YANPQLUHJHASLO-SNVBAGLBSA-N 1 2 278.368 1.638 20 30 CDEDLO C=C(Cc1ccccc1)C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001144407710 931797250 /nfs/dbraw/zinc/79/72/50/931797250.db2.gz FIJWZCZEJZPLMM-OAHLLOKOSA-N 1 2 285.347 1.228 20 30 CDEDLO C=C(Cc1ccccc1)C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001144407710 931797254 /nfs/dbraw/zinc/79/72/54/931797254.db2.gz FIJWZCZEJZPLMM-OAHLLOKOSA-N 1 2 285.347 1.228 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2[C@H]3COC[C@@H]2C[C@H](C(=O)OC)C3)cc1 ZINC001144576836 931909531 /nfs/dbraw/zinc/90/95/31/931909531.db2.gz RZWAZUZHJUTKBN-OSYLJGHBSA-N 1 2 299.370 1.820 20 30 CDEDLO C#Cc1ccc(C[N@H+]2[C@H]3COC[C@@H]2C[C@H](C(=O)OC)C3)cc1 ZINC001144576836 931909533 /nfs/dbraw/zinc/90/95/33/931909533.db2.gz RZWAZUZHJUTKBN-OSYLJGHBSA-N 1 2 299.370 1.820 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+]([C@H](C)Cc2cccc(C#N)c2)CCO1 ZINC001171204109 931944557 /nfs/dbraw/zinc/94/45/57/931944557.db2.gz TZHHGKQWSMUHFX-DOMZBBRYSA-N 1 2 288.347 1.363 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+]([C@H](C)Cc2cccc(C#N)c2)CCO1 ZINC001171204109 931944565 /nfs/dbraw/zinc/94/45/65/931944565.db2.gz TZHHGKQWSMUHFX-DOMZBBRYSA-N 1 2 288.347 1.363 20 30 CDEDLO N#Cc1cc(F)cnc1N[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC001160724252 932047687 /nfs/dbraw/zinc/04/76/87/932047687.db2.gz PETSYDZKTQVDGD-KGLIPLIRSA-N 1 2 290.342 1.758 20 30 CDEDLO N#CCc1cc[nH+]c(NCc2cn3cccnc3n2)c1 ZINC001154611403 937565871 /nfs/dbraw/zinc/56/58/71/937565871.db2.gz JKWVOZGEDHHLSG-UHFFFAOYSA-N 1 2 264.292 1.802 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccoc1)c1nccn12 ZINC001092345272 932936814 /nfs/dbraw/zinc/93/68/14/932936814.db2.gz YDGLQUMHARNMCH-ZDUSSCGKSA-N 1 2 298.346 1.548 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC ZINC001110932102 933097693 /nfs/dbraw/zinc/09/76/93/933097693.db2.gz DZWSSCMOFOKTJI-DGAVXFQQSA-N 1 2 293.411 1.056 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC ZINC001110932102 933097698 /nfs/dbraw/zinc/09/76/98/933097698.db2.gz DZWSSCMOFOKTJI-DGAVXFQQSA-N 1 2 293.411 1.056 20 30 CDEDLO C=CC[C@@H]1NC(=O)N(CCCCn2cc[nH+]c2)C1=O ZINC001119626985 937740874 /nfs/dbraw/zinc/74/08/74/937740874.db2.gz INQVJOMIGGMXIS-NSHDSACASA-N 1 2 262.313 1.160 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nonc3C)C[C@H]21 ZINC001114753679 934954428 /nfs/dbraw/zinc/95/44/28/934954428.db2.gz ZVEQBHIIEDLOAJ-JYAVWHMHSA-N 1 2 290.367 1.281 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nonc3C)C[C@H]21 ZINC001114753679 934954433 /nfs/dbraw/zinc/95/44/33/934954433.db2.gz ZVEQBHIIEDLOAJ-JYAVWHMHSA-N 1 2 290.367 1.281 20 30 CDEDLO CCCCCCCCCOC(=O)N1CC[NH2+][C@@H](C(N)=O)C1 ZINC001239333823 945419716 /nfs/dbraw/zinc/41/97/16/945419716.db2.gz CDSGDXAAVQAZHD-CYBMUJFWSA-N 1 2 299.415 1.633 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001017450769 935639369 /nfs/dbraw/zinc/63/93/69/935639369.db2.gz IRGHASOLBPWAQW-HUSMAVQQSA-N 1 2 272.392 1.731 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001017450769 935639373 /nfs/dbraw/zinc/63/93/73/935639373.db2.gz IRGHASOLBPWAQW-HUSMAVQQSA-N 1 2 272.392 1.731 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001096933081 936240665 /nfs/dbraw/zinc/24/06/65/936240665.db2.gz YNYCPEPHAPOARY-WFASDCNBSA-N 1 2 290.367 1.125 20 30 CDEDLO COc1ccc2c(ccnc2N2CC[NH2+]C[C@@H]2C#N)c1 ZINC001156321176 938351087 /nfs/dbraw/zinc/35/10/87/938351087.db2.gz SMHHLJUXGYIIAM-LBPRGKRZSA-N 1 2 268.320 1.545 20 30 CDEDLO Cc1cc(N2CC[NH2+]C[C@@H]2C#N)nc2ccc([N+](=O)[O-])cc12 ZINC001156320847 938351201 /nfs/dbraw/zinc/35/12/01/938351201.db2.gz FYDDUPLMXFIXBA-LBPRGKRZSA-N 1 2 297.318 1.753 20 30 CDEDLO C=C(C)C[NH2+]CCCNC(=O)C(F)C(F)(F)F ZINC001158471989 938628241 /nfs/dbraw/zinc/62/82/41/938628241.db2.gz QSRWGLQVPHSFEC-QMMMGPOBSA-N 1 2 256.243 1.559 20 30 CDEDLO C=C(C)C[NH2+]CCCNC(=O)[C@H](F)C(F)(F)F ZINC001158471989 938628243 /nfs/dbraw/zinc/62/82/43/938628243.db2.gz QSRWGLQVPHSFEC-QMMMGPOBSA-N 1 2 256.243 1.559 20 30 CDEDLO C#C[C@](C)(CC)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC001158735890 938657888 /nfs/dbraw/zinc/65/78/88/938657888.db2.gz ASVWISFESXLTJR-CQSZACIVSA-N 1 2 260.341 1.527 20 30 CDEDLO C#C[C@](C)(CC)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC001158735890 938657890 /nfs/dbraw/zinc/65/78/90/938657890.db2.gz ASVWISFESXLTJR-CQSZACIVSA-N 1 2 260.341 1.527 20 30 CDEDLO Cc1cnc(NC[C@H]([NH3+])C(=O)OC(C)(C)C)c(/C=N/O)c1 ZINC001162853980 939154441 /nfs/dbraw/zinc/15/44/41/939154441.db2.gz GFDQAXOSEGEMKJ-TUVHXFJTSA-N 1 2 294.355 1.279 20 30 CDEDLO CCc1cc(C[N@@H+]2CCN3C(=O)COC[C@H]3C2)ccc1C#N ZINC001238768042 945244082 /nfs/dbraw/zinc/24/40/82/945244082.db2.gz DTOVKAUOAIJNJX-MRXNPFEDSA-N 1 2 299.374 1.164 20 30 CDEDLO CCc1cc(C[N@H+]2CCN3C(=O)COC[C@H]3C2)ccc1C#N ZINC001238768042 945244086 /nfs/dbraw/zinc/24/40/86/945244086.db2.gz DTOVKAUOAIJNJX-MRXNPFEDSA-N 1 2 299.374 1.164 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2ccc(OCCC#N)cc2)C[NH2+]1 ZINC001164308309 939450745 /nfs/dbraw/zinc/45/07/45/939450745.db2.gz DHNCOOBCNXNHQD-JSGCOSHPSA-N 1 2 289.335 1.294 20 30 CDEDLO N#Cc1cc(F)c(Cl)nc1N1CC[NH2+]CC(F)(F)C1 ZINC001164488307 939478530 /nfs/dbraw/zinc/47/85/30/939478530.db2.gz DIHQXSPXLSDICQ-UHFFFAOYSA-N 1 2 290.676 1.791 20 30 CDEDLO COc1cc(N2CC[NH2+]CC(F)(F)C2)ncc1C#N ZINC001164489070 939478539 /nfs/dbraw/zinc/47/85/39/939478539.db2.gz ZITYAACAURBDIY-UHFFFAOYSA-N 1 2 268.267 1.007 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CCCO1 ZINC001205502425 939894700 /nfs/dbraw/zinc/89/47/00/939894700.db2.gz VRTZCQXWOISFNY-AWEZNQCLSA-N 1 2 292.310 1.461 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CCCO1 ZINC001205502425 939894704 /nfs/dbraw/zinc/89/47/04/939894704.db2.gz VRTZCQXWOISFNY-AWEZNQCLSA-N 1 2 292.310 1.461 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nnc(C)o2)C[C@H]1C ZINC001206545592 940058349 /nfs/dbraw/zinc/05/83/49/940058349.db2.gz XDOZMLXGEJAVLK-NQBHXWOUSA-N 1 2 292.383 1.842 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nnc(C)o2)C[C@H]1C ZINC001206545592 940058352 /nfs/dbraw/zinc/05/83/52/940058352.db2.gz XDOZMLXGEJAVLK-NQBHXWOUSA-N 1 2 292.383 1.842 20 30 CDEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1CC(OC)OC ZINC001207253060 940171500 /nfs/dbraw/zinc/17/15/00/940171500.db2.gz DQOFJPCNLVHVKY-CYBMUJFWSA-N 1 2 295.383 1.141 20 30 CDEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1CC(OC)OC ZINC001207253060 940171501 /nfs/dbraw/zinc/17/15/01/940171501.db2.gz DQOFJPCNLVHVKY-CYBMUJFWSA-N 1 2 295.383 1.141 20 30 CDEDLO CC(C)C#CC(=O)N1CCC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001207995472 940275529 /nfs/dbraw/zinc/27/55/29/940275529.db2.gz IVSISDXYGLGDIL-GFCCVEGCSA-N 1 2 292.408 1.278 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CCC)OC)C1 ZINC001208288951 940314635 /nfs/dbraw/zinc/31/46/35/940314635.db2.gz IPUUAJKHCZLTLB-RTXFEEFZSA-N 1 2 288.819 1.991 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CCC)OC)C1 ZINC001208288951 940314639 /nfs/dbraw/zinc/31/46/39/940314639.db2.gz IPUUAJKHCZLTLB-RTXFEEFZSA-N 1 2 288.819 1.991 20 30 CDEDLO N#CCN(CC[NH+]1CCOCC1)Cc1ccccc1 ZINC001209293281 940456236 /nfs/dbraw/zinc/45/62/36/940456236.db2.gz IZQJWGDRNXYPQO-UHFFFAOYSA-N 1 2 259.353 1.344 20 30 CDEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccc(C)[nH]2)CC1 ZINC001209576974 940611362 /nfs/dbraw/zinc/61/13/62/940611362.db2.gz GUJVWEYGSKPBLP-UHFFFAOYSA-N 1 2 275.352 1.992 20 30 CDEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+](CC(=C)Cl)C[C@H]1C ZINC001211408520 940751540 /nfs/dbraw/zinc/75/15/40/940751540.db2.gz JVKHHSWCMOZMEL-DGCLKSJQSA-N 1 2 286.803 1.768 20 30 CDEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+](CC(=C)Cl)C[C@H]1C ZINC001211408520 940751542 /nfs/dbraw/zinc/75/15/42/940751542.db2.gz JVKHHSWCMOZMEL-DGCLKSJQSA-N 1 2 286.803 1.768 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCCC(C)(C)C)[C@H]2C1 ZINC001217543849 940997125 /nfs/dbraw/zinc/99/71/25/940997125.db2.gz JAEABPJNJACJSM-LSDHHAIUSA-N 1 2 292.423 1.748 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCCC(C)(C)C)[C@H]2C1 ZINC001217543849 940997129 /nfs/dbraw/zinc/99/71/29/940997129.db2.gz JAEABPJNJACJSM-LSDHHAIUSA-N 1 2 292.423 1.748 20 30 CDEDLO N#CC1(NC(=O)[C@@]23C[C@@H]2CC[N@@H+]3Cc2ccc[nH]2)CCC1 ZINC001277030590 941837613 /nfs/dbraw/zinc/83/76/13/941837613.db2.gz ZOOHYSYKLYQGBG-BLLLJJGKSA-N 1 2 284.363 1.542 20 30 CDEDLO N#CC1(NC(=O)[C@@]23C[C@@H]2CC[N@H+]3Cc2ccc[nH]2)CCC1 ZINC001277030590 941837619 /nfs/dbraw/zinc/83/76/19/941837619.db2.gz ZOOHYSYKLYQGBG-BLLLJJGKSA-N 1 2 284.363 1.542 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3[nH]ccc(=O)c3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226996529 942110578 /nfs/dbraw/zinc/11/05/78/942110578.db2.gz UUSBYAIGIOEILF-NTBMCGCHSA-N 1 2 282.727 1.432 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3[nH]ccc(=O)c3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226996529 942110579 /nfs/dbraw/zinc/11/05/79/942110579.db2.gz UUSBYAIGIOEILF-NTBMCGCHSA-N 1 2 282.727 1.432 20 30 CDEDLO Cc1cc(O[C@@H](C)C[NH+]2CCOCC2)cnc1C#N ZINC001227345809 942168630 /nfs/dbraw/zinc/16/86/30/942168630.db2.gz FESBHSXSJKNGGS-LBPRGKRZSA-N 1 2 261.325 1.361 20 30 CDEDLO COc1c(Cl)cnc(OC[C@H]2C[N@H+](C)CCO2)c1C#N ZINC001227557616 942188433 /nfs/dbraw/zinc/18/84/33/942188433.db2.gz RGGKBOJLGKWBPR-SECBINFHSA-N 1 2 297.742 1.325 20 30 CDEDLO COc1c(Cl)cnc(OC[C@H]2C[N@@H+](C)CCO2)c1C#N ZINC001227557616 942188434 /nfs/dbraw/zinc/18/84/34/942188434.db2.gz RGGKBOJLGKWBPR-SECBINFHSA-N 1 2 297.742 1.325 20 30 CDEDLO C=CCC(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1[C@H](CC)C(N)=O ZINC001316602135 942424884 /nfs/dbraw/zinc/42/48/84/942424884.db2.gz KSURIZVGPDGFPL-CHWSQXEVSA-N 1 2 295.427 1.385 20 30 CDEDLO C=CCC(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](CC)C(N)=O ZINC001316602135 942424886 /nfs/dbraw/zinc/42/48/86/942424886.db2.gz KSURIZVGPDGFPL-CHWSQXEVSA-N 1 2 295.427 1.385 20 30 CDEDLO COc1c(F)ccc(F)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001229655993 942505094 /nfs/dbraw/zinc/50/50/94/942505094.db2.gz UWKPRMOSHRLCKB-LDGUKNRMSA-N 1 2 297.301 1.965 20 30 CDEDLO COc1c(F)ccc(F)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001229655993 942505099 /nfs/dbraw/zinc/50/50/99/942505099.db2.gz UWKPRMOSHRLCKB-LDGUKNRMSA-N 1 2 297.301 1.965 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c1 ZINC001232675295 943357653 /nfs/dbraw/zinc/35/76/53/943357653.db2.gz PSNLHMDSMZDBDL-BETUJISGSA-N 1 2 256.305 1.960 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c1 ZINC001232675295 943357655 /nfs/dbraw/zinc/35/76/55/943357655.db2.gz PSNLHMDSMZDBDL-BETUJISGSA-N 1 2 256.305 1.960 20 30 CDEDLO C[N@H+](Cc1cc(C#N)ccc1O)[C@H]1CCC2(C1)OCCO2 ZINC001232677271 943359436 /nfs/dbraw/zinc/35/94/36/943359436.db2.gz AMWSHHWMZFHLDT-AWEZNQCLSA-N 1 2 288.347 1.991 20 30 CDEDLO C[N@@H+](Cc1cc(C#N)ccc1O)[C@H]1CCC2(C1)OCCO2 ZINC001232677271 943359445 /nfs/dbraw/zinc/35/94/45/943359445.db2.gz AMWSHHWMZFHLDT-AWEZNQCLSA-N 1 2 288.347 1.991 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)n1 ZINC001232922444 943435032 /nfs/dbraw/zinc/43/50/32/943435032.db2.gz GWYZFRQKPKOUHU-NEPJUHHUSA-N 1 2 265.263 1.419 20 30 CDEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)n1 ZINC001232922444 943435029 /nfs/dbraw/zinc/43/50/29/943435029.db2.gz GWYZFRQKPKOUHU-NEPJUHHUSA-N 1 2 265.263 1.419 20 30 CDEDLO CN(C)c1ccc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c(F)c1C#N ZINC001233097591 943490071 /nfs/dbraw/zinc/49/00/71/943490071.db2.gz WVZDVYCQXOOPQJ-GXTWGEPZSA-N 1 2 295.333 1.668 20 30 CDEDLO CN(C)c1ccc(C[N@H+]2CC[C@H](F)[C@H](O)C2)c(F)c1C#N ZINC001233097591 943490075 /nfs/dbraw/zinc/49/00/75/943490075.db2.gz WVZDVYCQXOOPQJ-GXTWGEPZSA-N 1 2 295.333 1.668 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(Cl)ccc2N)CC1 ZINC000384761645 944041901 /nfs/dbraw/zinc/04/19/01/944041901.db2.gz LQWQCBPBYVODLS-UHFFFAOYSA-N 1 2 263.772 1.673 20 30 CDEDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1ccccc1CC#N ZINC001235524205 944187501 /nfs/dbraw/zinc/18/75/01/944187501.db2.gz BXXIELNNMZJEFB-HNNXBMFYSA-N 1 2 288.347 1.517 20 30 CDEDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1ccccc1CC#N ZINC001235524205 944187504 /nfs/dbraw/zinc/18/75/04/944187504.db2.gz BXXIELNNMZJEFB-HNNXBMFYSA-N 1 2 288.347 1.517 20 30 CDEDLO N#Cc1ccnnc1-c1ccccc1C[NH+]1CCOCC1 ZINC001241980623 946544784 /nfs/dbraw/zinc/54/47/84/946544784.db2.gz YSJXLWJWXZGYJA-UHFFFAOYSA-N 1 2 280.331 1.847 20 30 CDEDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1C#N ZINC001254551708 947520122 /nfs/dbraw/zinc/52/01/22/947520122.db2.gz DINAVPZNBOZUSB-WCQYABFASA-N 1 2 274.324 1.323 20 30 CDEDLO C=CC[C@@H]([NH2+][C@H]1CCC[C@@H](C(=O)OCC)C1)C(=O)OC ZINC001255347933 947832437 /nfs/dbraw/zinc/83/24/37/947832437.db2.gz HDZJLSFXRUJKQR-FRRDWIJNSA-N 1 2 283.368 1.816 20 30 CDEDLO C=CCCNC(=S)N1CCN(c2cccc[nH+]2)CC1 ZINC001247588600 948673023 /nfs/dbraw/zinc/67/30/23/948673023.db2.gz DMUJEWOZXUWHAO-UHFFFAOYSA-N 1 2 276.409 1.654 20 30 CDEDLO C#CC[C@H]([NH3+])c1nc(-c2ccc(S(C)(=O)=O)cc2)no1 ZINC001247609074 948678364 /nfs/dbraw/zinc/67/83/64/948678364.db2.gz DIPNPBVCDQVPEB-NSHDSACASA-N 1 2 291.332 1.163 20 30 CDEDLO CC(C)(C)OC[C@@H]([NH3+])c1nc(-c2ccc(C#N)cn2)no1 ZINC001247700284 948711004 /nfs/dbraw/zinc/71/10/04/948711004.db2.gz FJLKAJMTBVQQDA-SNVBAGLBSA-N 1 2 287.323 1.818 20 30 CDEDLO COC(=O)N1CCC[N@H+](Cc2cccc(C#N)c2F)CC1 ZINC001249680049 949750024 /nfs/dbraw/zinc/75/00/24/949750024.db2.gz CRGHSSMXRXUGRN-UHFFFAOYSA-N 1 2 291.326 1.971 20 30 CDEDLO COC(=O)N1CCC[N@@H+](Cc2cccc(C#N)c2F)CC1 ZINC001249680049 949750035 /nfs/dbraw/zinc/75/00/35/949750035.db2.gz CRGHSSMXRXUGRN-UHFFFAOYSA-N 1 2 291.326 1.971 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC001362815810 971640383 /nfs/dbraw/zinc/64/03/83/971640383.db2.gz ZKAHKUFPHOKYOO-NSHDSACASA-N 1 2 283.335 1.558 20 30 CDEDLO C[C@]1(C#N)CC[N@H+](C[C@H](O)COc2cccc(F)c2)C1 ZINC001250809092 950389028 /nfs/dbraw/zinc/38/90/28/950389028.db2.gz DUCXKLCIKHGDHL-DZGCQCFKSA-N 1 2 278.327 1.801 20 30 CDEDLO C[C@]1(C#N)CC[N@@H+](C[C@H](O)COc2cccc(F)c2)C1 ZINC001250809092 950389044 /nfs/dbraw/zinc/38/90/44/950389044.db2.gz DUCXKLCIKHGDHL-DZGCQCFKSA-N 1 2 278.327 1.801 20 30 CDEDLO Cc1ccc(C)c(NC[C@H](O)C[NH+]2CCOCC2)c1C#N ZINC001251034136 950571716 /nfs/dbraw/zinc/57/17/16/950571716.db2.gz PYUOFNAVQVREQS-AWEZNQCLSA-N 1 2 289.379 1.280 20 30 CDEDLO C#CCOC[C@H](O)C[N@H+](Cc1cnc[nH]1)Cc1ccccc1 ZINC001251854556 950875212 /nfs/dbraw/zinc/87/52/12/950875212.db2.gz GQKYCLCNNSZBAC-QGZVFWFLSA-N 1 2 299.374 1.423 20 30 CDEDLO C#CCOC[C@H](O)C[N@@H+](Cc1cnc[nH]1)Cc1ccccc1 ZINC001251854556 950875226 /nfs/dbraw/zinc/87/52/26/950875226.db2.gz GQKYCLCNNSZBAC-QGZVFWFLSA-N 1 2 299.374 1.423 20 30 CDEDLO C#CCOC[C@H](O)C[N@H+](Cc1c[nH]cn1)Cc1ccccc1 ZINC001251854556 950875237 /nfs/dbraw/zinc/87/52/37/950875237.db2.gz GQKYCLCNNSZBAC-QGZVFWFLSA-N 1 2 299.374 1.423 20 30 CDEDLO C#CCOC[C@H](O)C[N@@H+](Cc1c[nH]cn1)Cc1ccccc1 ZINC001251854556 950875242 /nfs/dbraw/zinc/87/52/42/950875242.db2.gz GQKYCLCNNSZBAC-QGZVFWFLSA-N 1 2 299.374 1.423 20 30 CDEDLO Cc1cc(CNC(=O)C2(C#N)CCOCC2)cc(C)[nH+]1 ZINC001362906812 971717891 /nfs/dbraw/zinc/71/78/91/971717891.db2.gz SOXUKPKLVDPYOL-UHFFFAOYSA-N 1 2 273.336 1.635 20 30 CDEDLO C=CCOC[C@@H](O)CNc1cccc(Cn2cc[nH+]c2)c1 ZINC001252476519 951333753 /nfs/dbraw/zinc/33/37/53/951333753.db2.gz OGJOUZKKHGPMJF-INIZCTEOSA-N 1 2 287.363 1.907 20 30 CDEDLO C=CCOC[C@@H](O)C[NH2+]C1(C(=O)OC)CCCCC1 ZINC001252484347 951348722 /nfs/dbraw/zinc/34/87/22/951348722.db2.gz BTLRRLITIJUKJV-LBPRGKRZSA-N 1 2 271.357 1.015 20 30 CDEDLO C=C[C@@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H](F)C1 ZINC001253574534 951961616 /nfs/dbraw/zinc/96/16/16/951961616.db2.gz ZQPVDSPVPBEYAK-NWDGAFQWSA-N 1 2 288.363 1.424 20 30 CDEDLO C=C[C@@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H](F)C1 ZINC001253574534 951961621 /nfs/dbraw/zinc/96/16/21/951961621.db2.gz ZQPVDSPVPBEYAK-NWDGAFQWSA-N 1 2 288.363 1.424 20 30 CDEDLO N#CCCN(Cc1ccccn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001333994861 954065884 /nfs/dbraw/zinc/06/58/84/954065884.db2.gz MZNAUOARMLZNBB-UHFFFAOYSA-N 1 2 269.308 1.290 20 30 CDEDLO C[C@](CO)([NH2+]Cc1cc(C#N)ccn1)c1cccc(O)c1 ZINC001363249478 972017768 /nfs/dbraw/zinc/01/77/68/972017768.db2.gz OOHCCJVFZTUENT-MRXNPFEDSA-N 1 2 283.331 1.656 20 30 CDEDLO CCNc1cc(CNc2ccnc(C#N)n2)cc[nH+]1 ZINC001307180913 954583724 /nfs/dbraw/zinc/58/37/24/954583724.db2.gz ILEHYZWDRYSHEX-UHFFFAOYSA-N 1 2 254.297 1.209 20 30 CDEDLO Cc1nc(C#N)cc(NCCCN(C)c2cccc[nH+]2)n1 ZINC001307193953 954681083 /nfs/dbraw/zinc/68/10/83/954681083.db2.gz NCGJZXYPHQAJJJ-UHFFFAOYSA-N 1 2 282.351 1.990 20 30 CDEDLO Cc1cc(CNC(=O)N2CCO[C@@H](C#N)C2)cc(C)[nH+]1 ZINC001365430209 956030348 /nfs/dbraw/zinc/03/03/48/956030348.db2.gz GHSHERMUJYGHJZ-ZDUSSCGKSA-N 1 2 274.324 1.132 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)c1cc(C#N)ccc1F ZINC001363446709 972174898 /nfs/dbraw/zinc/17/48/98/972174898.db2.gz OSAXQTKRKDLQJW-UHFFFAOYSA-N 1 2 272.283 1.403 20 30 CDEDLO CNc1cc(CNC(=O)NCC#Cc2ccccc2)cc[nH+]1 ZINC001311515524 956754090 /nfs/dbraw/zinc/75/40/90/956754090.db2.gz GBAZWGLPBAUYIV-UHFFFAOYSA-N 1 2 294.358 1.974 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001333086833 958062333 /nfs/dbraw/zinc/06/23/33/958062333.db2.gz UVXLZQXBASGTPY-GFCCVEGCSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001333086833 958062350 /nfs/dbraw/zinc/06/23/50/958062350.db2.gz UVXLZQXBASGTPY-GFCCVEGCSA-N 1 2 254.374 1.426 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1coc(C)n1 ZINC001367510368 958081954 /nfs/dbraw/zinc/08/19/54/958081954.db2.gz BEQPQTGCZGFKRJ-UHFFFAOYSA-N 1 2 271.748 1.739 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1coc(C)n1 ZINC001367510368 958081960 /nfs/dbraw/zinc/08/19/60/958081960.db2.gz BEQPQTGCZGFKRJ-UHFFFAOYSA-N 1 2 271.748 1.739 20 30 CDEDLO Nc1cnnc(N=NCc2ccc[nH+]c2N)c1Cl ZINC001319195961 958424802 /nfs/dbraw/zinc/42/48/02/958424802.db2.gz UGLUMYXOHOPGCB-UHFFFAOYSA-N 1 2 263.692 1.135 20 30 CDEDLO C[C@H]1C[N@H+](CCNc2cc(C#N)cc(Cl)n2)CCO1 ZINC001336507055 960372867 /nfs/dbraw/zinc/37/28/67/960372867.db2.gz XFPPITGYWAIZET-JTQLQIEISA-N 1 2 280.759 1.739 20 30 CDEDLO C[C@H]1C[N@@H+](CCNc2cc(C#N)cc(Cl)n2)CCO1 ZINC001336507055 960372878 /nfs/dbraw/zinc/37/28/78/960372878.db2.gz XFPPITGYWAIZET-JTQLQIEISA-N 1 2 280.759 1.739 20 30 CDEDLO C=C[C@H](COC)[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC001324017677 961112152 /nfs/dbraw/zinc/11/21/52/961112152.db2.gz ZZJBQFHOWIWBMT-GFCCVEGCSA-N 1 2 258.325 1.558 20 30 CDEDLO CC#CC(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001337329109 961116101 /nfs/dbraw/zinc/11/61/01/961116101.db2.gz PIRAOVLGMMPQRC-CYBMUJFWSA-N 1 2 262.740 1.836 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CC2(O)CCC2)C1 ZINC001419021960 961271914 /nfs/dbraw/zinc/27/19/14/961271914.db2.gz OHTHQAXKKKKWNA-UHFFFAOYSA-N 1 2 272.776 1.092 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CCCCC)n2C)CC1 ZINC001338561644 961879538 /nfs/dbraw/zinc/87/95/38/961879538.db2.gz QAKZQLHIRTWSFW-UHFFFAOYSA-N 1 2 275.400 1.303 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cn(C(C)(C)C)nn1 ZINC001420234069 962613656 /nfs/dbraw/zinc/61/36/56/962613656.db2.gz WIMNJTZYXSKSDO-UHFFFAOYSA-N 1 2 299.806 1.447 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cn(C(C)(C)C)nn1 ZINC001420234069 962613663 /nfs/dbraw/zinc/61/36/63/962613663.db2.gz WIMNJTZYXSKSDO-UHFFFAOYSA-N 1 2 299.806 1.447 20 30 CDEDLO C[N@H+](CCNC(=O)[C@H]1CC12CC2)Cc1ccccc1C#N ZINC001437519232 962986611 /nfs/dbraw/zinc/98/66/11/962986611.db2.gz DUEPJWXIFGBGKQ-OAHLLOKOSA-N 1 2 283.375 1.906 20 30 CDEDLO C[N@@H+](CCNC(=O)[C@H]1CC12CC2)Cc1ccccc1C#N ZINC001437519232 962986618 /nfs/dbraw/zinc/98/66/18/962986618.db2.gz DUEPJWXIFGBGKQ-OAHLLOKOSA-N 1 2 283.375 1.906 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H]1CCCO1)C1CC1 ZINC001420628314 963137561 /nfs/dbraw/zinc/13/75/61/963137561.db2.gz AQVBMMJIVWXVBG-GFCCVEGCSA-N 1 2 272.776 1.499 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1CCCO1)C1CC1 ZINC001420628314 963137569 /nfs/dbraw/zinc/13/75/69/963137569.db2.gz AQVBMMJIVWXVBG-GFCCVEGCSA-N 1 2 272.776 1.499 20 30 CDEDLO C=C(Cl)CN1CC(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001443654420 965549619 /nfs/dbraw/zinc/54/96/19/965549619.db2.gz WKSVINLQOURHTF-UHFFFAOYSA-N 1 2 296.802 1.153 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](OC)C1CC1 ZINC001444969969 966009136 /nfs/dbraw/zinc/00/91/36/966009136.db2.gz JRWGTFBGJVMBEY-GFCCVEGCSA-N 1 2 274.792 1.554 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](OC)C1CC1 ZINC001444969969 966009146 /nfs/dbraw/zinc/00/91/46/966009146.db2.gz JRWGTFBGJVMBEY-GFCCVEGCSA-N 1 2 274.792 1.554 20 30 CDEDLO N#CCNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001351113854 966860611 /nfs/dbraw/zinc/86/06/11/966860611.db2.gz UGXZIWQUYHHJSZ-CQSZACIVSA-N 1 2 275.327 1.820 20 30 CDEDLO N#CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001351113854 966860622 /nfs/dbraw/zinc/86/06/22/966860622.db2.gz UGXZIWQUYHHJSZ-CQSZACIVSA-N 1 2 275.327 1.820 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H](CC#N)C1 ZINC001352424317 967257147 /nfs/dbraw/zinc/25/71/47/967257147.db2.gz UXSKEOVTIXDDRT-LBPRGKRZSA-N 1 2 260.341 1.505 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001100317974 968001545 /nfs/dbraw/zinc/00/15/45/968001545.db2.gz RUJLTBNLRFWTDX-HNNXBMFYSA-N 1 2 276.384 1.940 20 30 CDEDLO CC#CC[NH2+]C1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001100348122 968082136 /nfs/dbraw/zinc/08/21/36/968082136.db2.gz WWTILRAYUCRVCS-RTBKNWGFSA-N 1 2 280.265 1.395 20 30 CDEDLO CC#CC[NH2+]C1CC(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001100348122 968082144 /nfs/dbraw/zinc/08/21/44/968082144.db2.gz WWTILRAYUCRVCS-RTBKNWGFSA-N 1 2 280.265 1.395 20 30 CDEDLO N#Cc1ccn(Cc2[nH+]ccn2C(F)F)c(=O)c1 ZINC001459175219 969393614 /nfs/dbraw/zinc/39/36/14/969393614.db2.gz HBAPVSZIZAEBLU-UHFFFAOYSA-N 1 2 250.208 1.360 20 30 CDEDLO C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccn(C)n1 ZINC001414005480 969821919 /nfs/dbraw/zinc/82/19/19/969821919.db2.gz FNVIBXPYAJVOKP-GFCCVEGCSA-N 1 2 297.362 1.259 20 30 CDEDLO Cc1cc(NC(=O)c2ncc(C#N)cc2Cl)cc[nH+]1 ZINC001361364454 970139875 /nfs/dbraw/zinc/13/98/75/970139875.db2.gz ALJPEDGYKAANGY-UHFFFAOYSA-N 1 2 272.695 1.984 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccc(C)[nH]c1=O ZINC001418497875 973901447 /nfs/dbraw/zinc/90/14/47/973901447.db2.gz GUZBGOYDCXWNKQ-UHFFFAOYSA-N 1 2 283.759 1.510 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccc(C)[nH]c1=O ZINC001418497875 973901454 /nfs/dbraw/zinc/90/14/54/973901454.db2.gz GUZBGOYDCXWNKQ-UHFFFAOYSA-N 1 2 283.759 1.510 20 30 CDEDLO CCc1nnc([C@@H](C)[NH2+]CCN(CC)C(=O)[C@@H](C)C#N)o1 ZINC001374707868 974070285 /nfs/dbraw/zinc/07/02/85/974070285.db2.gz CVLARBWONMXLOC-WDEREUQCSA-N 1 2 293.371 1.291 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnc(C)s1 ZINC001377131155 974896993 /nfs/dbraw/zinc/89/69/93/974896993.db2.gz SIDYIQNZALOCKT-UHFFFAOYSA-N 1 2 273.789 1.866 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnc(C)s1 ZINC001377131155 974896996 /nfs/dbraw/zinc/89/69/96/974896996.db2.gz SIDYIQNZALOCKT-UHFFFAOYSA-N 1 2 273.789 1.866 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cn(CCC)nn1 ZINC001377240501 974942277 /nfs/dbraw/zinc/94/22/77/974942277.db2.gz PDBMQTRDYMWVQE-UHFFFAOYSA-N 1 2 285.779 1.102 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cn(CCC)nn1 ZINC001377240501 974942282 /nfs/dbraw/zinc/94/22/82/974942282.db2.gz PDBMQTRDYMWVQE-UHFFFAOYSA-N 1 2 285.779 1.102 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnn2cc[nH]c12 ZINC001379792014 976082848 /nfs/dbraw/zinc/08/28/48/976082848.db2.gz ZFVSDKZVZMJVBZ-SNVBAGLBSA-N 1 2 295.774 1.465 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cnn2cc[nH]c12 ZINC001379792014 976082860 /nfs/dbraw/zinc/08/28/60/976082860.db2.gz ZFVSDKZVZMJVBZ-SNVBAGLBSA-N 1 2 295.774 1.465 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)CCOC)C1 ZINC001402217726 976182295 /nfs/dbraw/zinc/18/22/95/976182295.db2.gz UJFLGAVUKGYONI-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)CCOC)C1 ZINC001402217726 976182302 /nfs/dbraw/zinc/18/23/02/976182302.db2.gz UJFLGAVUKGYONI-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCc1ccccn1 ZINC001390805401 976524057 /nfs/dbraw/zinc/52/40/57/976524057.db2.gz MXGGPJDBNRZYII-UHFFFAOYSA-N 1 2 281.787 1.815 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCc1ccccn1 ZINC001390805401 976524067 /nfs/dbraw/zinc/52/40/67/976524067.db2.gz MXGGPJDBNRZYII-UHFFFAOYSA-N 1 2 281.787 1.815 20 30 CDEDLO C[C@H](C#N)C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001403505825 977003392 /nfs/dbraw/zinc/00/33/92/977003392.db2.gz KMISVIADVVUHHO-LLVKDONJSA-N 1 2 288.326 1.405 20 30 CDEDLO C[C@H](C#N)C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001403505825 977003401 /nfs/dbraw/zinc/00/34/01/977003401.db2.gz KMISVIADVVUHHO-LLVKDONJSA-N 1 2 288.326 1.405 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001132302866 1163230915 /nfs/dbraw/zinc/23/09/15/1163230915.db2.gz YTZZMCLRDMTIPX-UHFFFAOYSA-N 1 2 280.372 1.440 20 30 CDEDLO CC#CCCCC(=O)NCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001132591398 1163393674 /nfs/dbraw/zinc/39/36/74/1163393674.db2.gz NFRNWOLNJFJPCV-CYBMUJFWSA-N 1 2 277.368 1.943 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001132651341 1163424944 /nfs/dbraw/zinc/42/49/44/1163424944.db2.gz VZNZTULPHPDRQC-LBPRGKRZSA-N 1 2 276.384 1.593 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@H](O)C1 ZINC001090506847 1163610167 /nfs/dbraw/zinc/61/01/67/1163610167.db2.gz LWQVSPMZRGJVJI-MBJXGIAVSA-N 1 2 298.814 1.336 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@H](O)C1 ZINC001090506847 1163610170 /nfs/dbraw/zinc/61/01/70/1163610170.db2.gz LWQVSPMZRGJVJI-MBJXGIAVSA-N 1 2 298.814 1.336 20 30 CDEDLO N#CC1(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)CCCC1 ZINC001592668837 1173961604 /nfs/dbraw/zinc/96/16/04/1173961604.db2.gz AFUORKOECFVLKA-UHFFFAOYSA-N 1 2 272.312 1.633 20 30 CDEDLO CCC[N@H+](CC)CCNS(=O)(=O)c1ccccc1C#N ZINC000124357656 187134443 /nfs/dbraw/zinc/13/44/43/187134443.db2.gz BIQFUDGULAYMDL-UHFFFAOYSA-N 1 2 295.408 1.568 20 30 CDEDLO CCC[N@@H+](CC)CCNS(=O)(=O)c1ccccc1C#N ZINC000124357656 187134444 /nfs/dbraw/zinc/13/44/44/187134444.db2.gz BIQFUDGULAYMDL-UHFFFAOYSA-N 1 2 295.408 1.568 20 30 CDEDLO C[C@@H]1C[N@H+](CCOCCC#N)C[C@H](C(F)(F)F)O1 ZINC000590162473 342523717 /nfs/dbraw/zinc/52/37/17/342523717.db2.gz MZXXWZLPEQYPIF-NXEZZACHSA-N 1 2 266.263 1.568 20 30 CDEDLO C[C@@H]1C[N@@H+](CCOCCC#N)C[C@H](C(F)(F)F)O1 ZINC000590162473 342523718 /nfs/dbraw/zinc/52/37/18/342523718.db2.gz MZXXWZLPEQYPIF-NXEZZACHSA-N 1 2 266.263 1.568 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000491667662 342532801 /nfs/dbraw/zinc/53/28/01/342532801.db2.gz LRAMEPAQLZAIRR-ZDUSSCGKSA-N 1 2 281.400 1.198 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000491667662 342532802 /nfs/dbraw/zinc/53/28/02/342532802.db2.gz LRAMEPAQLZAIRR-ZDUSSCGKSA-N 1 2 281.400 1.198 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)CC1(C#N)CCCCC1 ZINC000596806568 398184053 /nfs/dbraw/zinc/18/40/53/398184053.db2.gz UWPNRVNHSIEURB-CQSZACIVSA-N 1 2 293.411 1.687 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+](CCOCC)CC1 ZINC000110923570 342575885 /nfs/dbraw/zinc/57/58/85/342575885.db2.gz NXPSMEXKFRNNNN-CQSZACIVSA-N 1 2 284.400 1.148 20 30 CDEDLO N#Cc1ccnc(NC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000590685909 342582918 /nfs/dbraw/zinc/58/29/18/342582918.db2.gz BDUBJPWVMKKSRH-UHFFFAOYSA-N 1 2 280.335 1.824 20 30 CDEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc(O)cc(C#N)c1 ZINC000590874903 342602274 /nfs/dbraw/zinc/60/22/74/342602274.db2.gz NMVCWBODPFSPJT-JTQLQIEISA-N 1 2 284.319 1.971 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000299412225 342105714 /nfs/dbraw/zinc/10/57/14/342105714.db2.gz WBKUWXDMQVSFJH-RBSFLKMASA-N 1 2 260.381 1.448 20 30 CDEDLO Cc1cc(N[C@H]2CCO[C@@H](c3nccn3C)C2)c(C#N)c[nH+]1 ZINC000591825393 342647868 /nfs/dbraw/zinc/64/78/68/342647868.db2.gz HWYOSPOZLVKGCT-DZGCQCFKSA-N 1 2 297.362 1.749 20 30 CDEDLO Cc1cc(N[C@@H]2CCO[C@H](c3nccn3C)C2)c(C#N)c[nH+]1 ZINC000591825394 342647899 /nfs/dbraw/zinc/64/78/99/342647899.db2.gz HWYOSPOZLVKGCT-HIFRSBDPSA-N 1 2 297.362 1.749 20 30 CDEDLO Cc1cncc(/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000493352075 342666395 /nfs/dbraw/zinc/66/63/95/342666395.db2.gz LIVMIICIRHFRNX-LLYBFZRZSA-N 1 2 272.352 1.363 20 30 CDEDLO CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147597 342668200 /nfs/dbraw/zinc/66/82/00/342668200.db2.gz MMHCRWOEYKPIEZ-HOCLYGCPSA-N 1 2 295.427 1.668 20 30 CDEDLO CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147597 342668201 /nfs/dbraw/zinc/66/82/01/342668201.db2.gz MMHCRWOEYKPIEZ-HOCLYGCPSA-N 1 2 295.427 1.668 20 30 CDEDLO C[C@@]1(C#N)CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000592947449 342748977 /nfs/dbraw/zinc/74/89/77/342748977.db2.gz IUAHCSJBLFFCAM-DOMZBBRYSA-N 1 2 272.352 1.598 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)[C@@H](C)CO1 ZINC000593063327 342761239 /nfs/dbraw/zinc/76/12/39/342761239.db2.gz LPSNDLAPDYLDIA-NJZAAPMLSA-N 1 2 279.384 1.294 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)[C@@H](C)CO1 ZINC000593063327 342761240 /nfs/dbraw/zinc/76/12/40/342761240.db2.gz LPSNDLAPDYLDIA-NJZAAPMLSA-N 1 2 279.384 1.294 20 30 CDEDLO CSCC1(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)CC1 ZINC000593153436 342774111 /nfs/dbraw/zinc/77/41/11/342774111.db2.gz OZWRBBXDWICFSL-LBPRGKRZSA-N 1 2 269.414 1.480 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc2ccncc21 ZINC000593153351 342774140 /nfs/dbraw/zinc/77/41/40/342774140.db2.gz LKDXZACUYINMBI-MRXNPFEDSA-N 1 2 282.347 1.808 20 30 CDEDLO CN(C(=O)CCCn1cc[nH+]c1)c1ccc(C#N)nc1 ZINC000593278942 342783235 /nfs/dbraw/zinc/78/32/35/342783235.db2.gz XJFXFLATGJZJLH-UHFFFAOYSA-N 1 2 269.308 1.593 20 30 CDEDLO Cc1cc(CN(CCC#N)CC[NH+]2CCOCC2)no1 ZINC000078719720 342205237 /nfs/dbraw/zinc/20/52/37/342205237.db2.gz FKYCJGHTKVJUCP-UHFFFAOYSA-N 1 2 278.356 1.031 20 30 CDEDLO CC#CCN(C)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000655634215 539059799 /nfs/dbraw/zinc/05/97/99/539059799.db2.gz TZOQDMHMCYJAJO-UHFFFAOYSA-N 1 2 284.363 1.850 20 30 CDEDLO N#CCC1(Cn2cc(C[NH+]3CCSCC3)nn2)CC1 ZINC000594650738 342932649 /nfs/dbraw/zinc/93/26/49/342932649.db2.gz CAVAPQXLVONIRG-UHFFFAOYSA-N 1 2 277.397 1.521 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCc2c(O)cccc2C1 ZINC000626025815 342290525 /nfs/dbraw/zinc/29/05/25/342290525.db2.gz MTLXNEDPASGQGZ-LLVKDONJSA-N 1 2 260.337 1.441 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCc2c(O)cccc2C1 ZINC000626025815 342290526 /nfs/dbraw/zinc/29/05/26/342290526.db2.gz MTLXNEDPASGQGZ-LLVKDONJSA-N 1 2 260.337 1.441 20 30 CDEDLO CCN(C)C(=O)C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595633410 343107483 /nfs/dbraw/zinc/10/74/83/343107483.db2.gz WKMCPAJEBDYDCQ-UHFFFAOYSA-N 1 2 292.408 1.220 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000595616545 343110072 /nfs/dbraw/zinc/11/00/72/343110072.db2.gz RUIQLUNRRYZZQW-BXUZGUMPSA-N 1 2 275.327 1.978 20 30 CDEDLO N#CC[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000595616545 343110073 /nfs/dbraw/zinc/11/00/73/343110073.db2.gz RUIQLUNRRYZZQW-BXUZGUMPSA-N 1 2 275.327 1.978 20 30 CDEDLO N#CC1(C[NH2+][C@@H](CO)c2ccc(F)cc2F)CC1 ZINC000595868660 343176432 /nfs/dbraw/zinc/17/64/32/343176432.db2.gz XPJXOHGJTSJMCE-LBPRGKRZSA-N 1 2 252.264 1.892 20 30 CDEDLO C=CCCSCCNc1[nH+]cnc(-n2cccn2)c1N ZINC000596413452 343315287 /nfs/dbraw/zinc/31/52/87/343315287.db2.gz MFZTYOAOLLTKQI-UHFFFAOYSA-N 1 2 290.396 1.966 20 30 CDEDLO C[C@H]1C[C@@H](O)CCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000330205676 362178796 /nfs/dbraw/zinc/17/87/96/362178796.db2.gz DPENQLITIILNRL-AXFHLTTASA-N 1 2 278.356 1.026 20 30 CDEDLO C[C@H]1C[C@@H](O)CCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000330205676 362178800 /nfs/dbraw/zinc/17/88/00/362178800.db2.gz DPENQLITIILNRL-AXFHLTTASA-N 1 2 278.356 1.026 20 30 CDEDLO CC[C@@H]1COCCN1C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330283641 362206877 /nfs/dbraw/zinc/20/68/77/362206877.db2.gz WIIWHFIFNYJARB-NWDGAFQWSA-N 1 2 278.356 1.223 20 30 CDEDLO Cc1ncc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000330257903 362195649 /nfs/dbraw/zinc/19/56/49/362195649.db2.gz QYFNGTBREDWYLB-SECBINFHSA-N 1 2 262.338 1.968 20 30 CDEDLO CN(CC#N)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000597012182 343436135 /nfs/dbraw/zinc/43/61/35/343436135.db2.gz OUBOSYZIHVBGJZ-CYBMUJFWSA-N 1 2 268.320 1.914 20 30 CDEDLO CN(CC[NH+]1CCOCC1)C(=O)CC1(C#N)CCCCC1 ZINC000597088837 343447306 /nfs/dbraw/zinc/44/73/06/343447306.db2.gz RYVOTRUTNBPKQZ-UHFFFAOYSA-N 1 2 293.411 1.641 20 30 CDEDLO Cc1c[nH]c(CN2CCN(c3ccsc3C#N)CC2)[nH+]1 ZINC000600178916 349839861 /nfs/dbraw/zinc/83/98/61/349839861.db2.gz RVVBGNSDUALNQR-UHFFFAOYSA-N 1 2 287.392 1.974 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](CCC(=O)OCC)C1 ZINC000619719857 349869535 /nfs/dbraw/zinc/86/95/35/349869535.db2.gz IOGWYMMHVQFIAA-OLZOCXBDSA-N 1 2 283.368 1.769 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](CCC(=O)OCC)C1 ZINC000619719857 349869539 /nfs/dbraw/zinc/86/95/39/349869539.db2.gz IOGWYMMHVQFIAA-OLZOCXBDSA-N 1 2 283.368 1.769 20 30 CDEDLO C=C[C@@H](C(=O)OC)N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000619720689 349870559 /nfs/dbraw/zinc/87/05/59/349870559.db2.gz PRKFERBMKISYFK-HNNXBMFYSA-N 1 2 297.358 1.958 20 30 CDEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H]1C(F)F ZINC000353171344 529867041 /nfs/dbraw/zinc/86/70/41/529867041.db2.gz IDNGPLTZCHFMAM-JTQLQIEISA-N 1 2 259.300 1.478 20 30 CDEDLO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H]1C(F)F ZINC000353171344 529867042 /nfs/dbraw/zinc/86/70/42/529867042.db2.gz IDNGPLTZCHFMAM-JTQLQIEISA-N 1 2 259.300 1.478 20 30 CDEDLO COC(=O)[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C(C)(C)C ZINC000598597543 343841603 /nfs/dbraw/zinc/84/16/03/343841603.db2.gz GMVCKMTZNNGLJR-WDEREUQCSA-N 1 2 270.373 1.464 20 30 CDEDLO Cn1ccnc1C[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598600074 343849952 /nfs/dbraw/zinc/84/99/52/343849952.db2.gz UELUGOPSNSVQHF-NSHDSACASA-N 1 2 250.346 1.153 20 30 CDEDLO Cn1ccnc1C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598600074 343849954 /nfs/dbraw/zinc/84/99/54/343849954.db2.gz UELUGOPSNSVQHF-NSHDSACASA-N 1 2 250.346 1.153 20 30 CDEDLO CCC(C#N)(CC)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000598967617 343930839 /nfs/dbraw/zinc/93/08/39/343930839.db2.gz KGWZESDWBAVPFH-UHFFFAOYSA-N 1 2 281.400 1.543 20 30 CDEDLO N#Cc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1O ZINC000598948054 343933056 /nfs/dbraw/zinc/93/30/56/343933056.db2.gz OLYUJWMYTKZQRR-LBPRGKRZSA-N 1 2 282.303 1.205 20 30 CDEDLO Cc1cc(NC[C@@H]2CCCN2CC(F)F)c(C#N)c[nH+]1 ZINC000599134110 343965669 /nfs/dbraw/zinc/96/56/69/343965669.db2.gz PGVJNHSXYVFXRL-LBPRGKRZSA-N 1 2 280.322 1.825 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)Nc2sccc2C#N)CC[C@H]1O ZINC000249134236 362338574 /nfs/dbraw/zinc/33/85/74/362338574.db2.gz MVSTWDPRTRBOFF-GXSJLCMTSA-N 1 2 279.365 1.261 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)CC[C@H]1O ZINC000249134236 362338578 /nfs/dbraw/zinc/33/85/78/362338578.db2.gz MVSTWDPRTRBOFF-GXSJLCMTSA-N 1 2 279.365 1.261 20 30 CDEDLO CCC(C#N)(CC)C(=O)N(C)C[C@H]1C[N@H+](C)CCO1 ZINC000601732896 344233420 /nfs/dbraw/zinc/23/34/20/344233420.db2.gz DFXTURXSQNWDAE-GFCCVEGCSA-N 1 2 267.373 1.105 20 30 CDEDLO CCC(C#N)(CC)C(=O)N(C)C[C@H]1C[N@@H+](C)CCO1 ZINC000601732896 344233421 /nfs/dbraw/zinc/23/34/21/344233421.db2.gz DFXTURXSQNWDAE-GFCCVEGCSA-N 1 2 267.373 1.105 20 30 CDEDLO CCOC(=O)[C@@H]1CSCC[N@@H+]1C[C@H](C)CCC#N ZINC000602437462 344416674 /nfs/dbraw/zinc/41/66/74/344416674.db2.gz YLRWVFPQFVNLSU-NEPJUHHUSA-N 1 2 270.398 1.907 20 30 CDEDLO CCOC(=O)[C@@H]1CSCC[N@H+]1C[C@H](C)CCC#N ZINC000602437462 344416676 /nfs/dbraw/zinc/41/66/76/344416676.db2.gz YLRWVFPQFVNLSU-NEPJUHHUSA-N 1 2 270.398 1.907 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612136851 347053516 /nfs/dbraw/zinc/05/35/16/347053516.db2.gz LZQWINXMSJQKRF-UKRRQHHQSA-N 1 2 294.399 1.042 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612136851 347053518 /nfs/dbraw/zinc/05/35/18/347053518.db2.gz LZQWINXMSJQKRF-UKRRQHHQSA-N 1 2 294.399 1.042 20 30 CDEDLO C[N@H+](Cc1ccc(S(N)(=O)=O)cc1)CC(C)(C)C#N ZINC000602673064 344523314 /nfs/dbraw/zinc/52/33/14/344523314.db2.gz BWVOXUHMGHROKE-UHFFFAOYSA-N 1 2 281.381 1.316 20 30 CDEDLO C[N@@H+](Cc1ccc(S(N)(=O)=O)cc1)CC(C)(C)C#N ZINC000602673064 344523317 /nfs/dbraw/zinc/52/33/17/344523317.db2.gz BWVOXUHMGHROKE-UHFFFAOYSA-N 1 2 281.381 1.316 20 30 CDEDLO CC(C)(C)NC(=O)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602818318 344607894 /nfs/dbraw/zinc/60/78/94/344607894.db2.gz MVVUNAFBDIAEKP-UHFFFAOYSA-N 1 2 278.400 1.806 20 30 CDEDLO Cc1n[nH]cc1C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000602941269 344665977 /nfs/dbraw/zinc/66/59/77/344665977.db2.gz IZLNOWMLVAKIAD-NSHDSACASA-N 1 2 275.356 1.101 20 30 CDEDLO Cc1n[nH]cc1C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000602941269 344665978 /nfs/dbraw/zinc/66/59/78/344665978.db2.gz IZLNOWMLVAKIAD-NSHDSACASA-N 1 2 275.356 1.101 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)NCCc1ccccc1 ZINC000602864220 344637726 /nfs/dbraw/zinc/63/77/26/344637726.db2.gz QLLQOCOONSXHCU-STQMWFEESA-N 1 2 259.353 1.626 20 30 CDEDLO C[C@@H](NC(=O)C[NH2+][C@@H](C)CC#N)c1cccs1 ZINC000602866269 344638966 /nfs/dbraw/zinc/63/89/66/344638966.db2.gz ZQFRWGSCQQSCFO-VHSXEESVSA-N 1 2 251.355 1.817 20 30 CDEDLO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](C)CC#N)cc1 ZINC000602868649 344639840 /nfs/dbraw/zinc/63/98/40/344639840.db2.gz JXXMSUQBCSKYJY-SNVBAGLBSA-N 1 2 274.324 1.475 20 30 CDEDLO CN(Cc1ccc(C#N)cc1)C(=O)NCc1c[nH+]cn1C ZINC000291778310 344900408 /nfs/dbraw/zinc/90/04/08/344900408.db2.gz FYQBHZUKYZSTEV-UHFFFAOYSA-N 1 2 283.335 1.633 20 30 CDEDLO CC(C)[C@@H](C)NC(=O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609486190 344915224 /nfs/dbraw/zinc/91/52/24/344915224.db2.gz FTLIAKOFXYYVMX-CABCVRRESA-N 1 2 294.443 1.313 20 30 CDEDLO CC(C)CNC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609486649 344915707 /nfs/dbraw/zinc/91/57/07/344915707.db2.gz OKOVDECMBGWEDA-LSDHHAIUSA-N 1 2 294.443 1.313 20 30 CDEDLO C=CCCn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000606755677 345084116 /nfs/dbraw/zinc/08/41/16/345084116.db2.gz PHDOENBUXWCUPL-HNNXBMFYSA-N 1 2 299.378 1.823 20 30 CDEDLO C=CCCn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000606755677 345084118 /nfs/dbraw/zinc/08/41/18/345084118.db2.gz PHDOENBUXWCUPL-HNNXBMFYSA-N 1 2 299.378 1.823 20 30 CDEDLO COc1ccc(CN2CC[C@H]([NH2+][C@H](C)CC#N)C2=O)cc1 ZINC000609678314 345989297 /nfs/dbraw/zinc/98/92/97/345989297.db2.gz XMPUSQQDCSAONH-DOMZBBRYSA-N 1 2 287.363 1.688 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+](CC)Cc1ccoc1 ZINC000102408962 346231647 /nfs/dbraw/zinc/23/16/47/346231647.db2.gz CDXAFXOJIYYFQM-UHFFFAOYSA-N 1 2 265.313 1.113 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+](CC)Cc1ccoc1 ZINC000102408962 346231649 /nfs/dbraw/zinc/23/16/49/346231649.db2.gz CDXAFXOJIYYFQM-UHFFFAOYSA-N 1 2 265.313 1.113 20 30 CDEDLO CC(C)(C)OC(=O)[C@H]1C[N@H+](CCCCC#N)CCO1 ZINC000610450521 346285190 /nfs/dbraw/zinc/28/51/90/346285190.db2.gz IUXPASGTYBFSNU-GFCCVEGCSA-N 1 2 268.357 1.723 20 30 CDEDLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](CCCCC#N)CCO1 ZINC000610450521 346285194 /nfs/dbraw/zinc/28/51/94/346285194.db2.gz IUXPASGTYBFSNU-GFCCVEGCSA-N 1 2 268.357 1.723 20 30 CDEDLO COCC[N@H+](CCC#N)CCC(=O)NC1CCCC1 ZINC000610392077 346269714 /nfs/dbraw/zinc/26/97/14/346269714.db2.gz GJGCREXVYYJRNV-UHFFFAOYSA-N 1 2 267.373 1.297 20 30 CDEDLO COCC[N@@H+](CCC#N)CCC(=O)NC1CCCC1 ZINC000610392077 346269718 /nfs/dbraw/zinc/26/97/18/346269718.db2.gz GJGCREXVYYJRNV-UHFFFAOYSA-N 1 2 267.373 1.297 20 30 CDEDLO COC(=O)c1cccc(C[N@@H+]2CCCOC[C@@H]2C)c1C#N ZINC000611127239 346615477 /nfs/dbraw/zinc/61/54/77/346615477.db2.gz HZMHXARLYUVPHY-LBPRGKRZSA-N 1 2 288.347 1.956 20 30 CDEDLO COC(=O)c1cccc(C[N@H+]2CCCOC[C@@H]2C)c1C#N ZINC000611127239 346615479 /nfs/dbraw/zinc/61/54/79/346615479.db2.gz HZMHXARLYUVPHY-LBPRGKRZSA-N 1 2 288.347 1.956 20 30 CDEDLO COc1cc(C#N)ccc1CN(C)Cc1[nH]cc[nH+]1 ZINC000611237108 346706142 /nfs/dbraw/zinc/70/61/42/346706142.db2.gz ZFMDBKRMNKTFGI-UHFFFAOYSA-N 1 2 256.309 1.922 20 30 CDEDLO Cc1oc(NC(=O)CN(C)Cc2[nH]cc[nH+]2)c(C#N)c1C ZINC000611191114 346686050 /nfs/dbraw/zinc/68/60/50/346686050.db2.gz MGUCPFQJYZAPCH-UHFFFAOYSA-N 1 2 287.323 1.562 20 30 CDEDLO C[C@@H]([NH2+]Cc1nccc(N)n1)c1cccc(C#N)c1 ZINC000611387956 346776229 /nfs/dbraw/zinc/77/62/29/346776229.db2.gz ASKNWFGZFCLNIE-SNVBAGLBSA-N 1 2 253.309 1.612 20 30 CDEDLO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(F)(C#N)CC1 ZINC000352490999 295759253 /nfs/dbraw/zinc/75/92/53/295759253.db2.gz NEZNDUFVRSLLSL-JTQLQIEISA-N 1 2 298.362 1.327 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)Nc1ccc(C#N)cc1 ZINC000612429393 347155004 /nfs/dbraw/zinc/15/50/04/347155004.db2.gz GYROLZJUGOUBED-UHFFFAOYSA-N 1 2 269.308 1.656 20 30 CDEDLO C=C[C@@H]([NH2+]CCCNC(=O)c1cccs1)C(=O)OC ZINC000619700771 347854466 /nfs/dbraw/zinc/85/44/66/347854466.db2.gz LJJYOECGOKGJNJ-SNVBAGLBSA-N 1 2 282.365 1.185 20 30 CDEDLO C=C[C@@H](O)C(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000614522230 348134308 /nfs/dbraw/zinc/13/43/08/348134308.db2.gz FXOAZAKXTYGRDR-QWHCGFSZSA-N 1 2 280.755 1.360 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000619717694 348185086 /nfs/dbraw/zinc/18/50/86/348185086.db2.gz APGYVQSNJJBIBX-QWHCGFSZSA-N 1 2 296.411 1.588 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000619717694 348185088 /nfs/dbraw/zinc/18/50/88/348185088.db2.gz APGYVQSNJJBIBX-QWHCGFSZSA-N 1 2 296.411 1.588 20 30 CDEDLO C=CCOc1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000414155821 362925350 /nfs/dbraw/zinc/92/53/50/362925350.db2.gz VPCOCLSGEDTRDQ-AWEZNQCLSA-N 1 2 290.363 1.837 20 30 CDEDLO C=CCOc1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000414155821 362925355 /nfs/dbraw/zinc/92/53/55/362925355.db2.gz VPCOCLSGEDTRDQ-AWEZNQCLSA-N 1 2 290.363 1.837 20 30 CDEDLO Cc1ccc2[nH+]c(CNC(=O)N(C)C[C@@H](C)C#N)cn2c1 ZINC000057221429 348833865 /nfs/dbraw/zinc/83/38/65/348833865.db2.gz ZFVPBQPGBHZJLQ-LBPRGKRZSA-N 1 2 285.351 1.944 20 30 CDEDLO Cc1nc(N2CC[N@@H+](C)C[C@H]2CO)c(Cl)cc1C#N ZINC000601980421 350039112 /nfs/dbraw/zinc/03/91/12/350039112.db2.gz WEEWSNCMFRHJQM-NSHDSACASA-N 1 2 280.759 1.028 20 30 CDEDLO Cc1nc(N2CC[N@H+](C)C[C@H]2CO)c(Cl)cc1C#N ZINC000601980421 350039113 /nfs/dbraw/zinc/03/91/13/350039113.db2.gz WEEWSNCMFRHJQM-NSHDSACASA-N 1 2 280.759 1.028 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)n1 ZINC000602481634 350115070 /nfs/dbraw/zinc/11/50/70/350115070.db2.gz CKDIDFVHFNSTAJ-LSDHHAIUSA-N 1 2 273.336 1.333 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)n1 ZINC000602481634 350115072 /nfs/dbraw/zinc/11/50/72/350115072.db2.gz CKDIDFVHFNSTAJ-LSDHHAIUSA-N 1 2 273.336 1.333 20 30 CDEDLO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000602895556 350162240 /nfs/dbraw/zinc/16/22/40/350162240.db2.gz AFCVYRMHSWBTQN-UONOGXRCSA-N 1 2 280.755 1.529 20 30 CDEDLO C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000602895556 350162241 /nfs/dbraw/zinc/16/22/41/350162241.db2.gz AFCVYRMHSWBTQN-UONOGXRCSA-N 1 2 280.755 1.529 20 30 CDEDLO CC[C@@H]1C(=O)NCC[N@H+]1CCOc1ccccc1C#N ZINC000106361343 186109439 /nfs/dbraw/zinc/10/94/39/186109439.db2.gz NBMPYIQVVBBITO-CYBMUJFWSA-N 1 2 273.336 1.147 20 30 CDEDLO CC[C@@H]1C(=O)NCC[N@@H+]1CCOc1ccccc1C#N ZINC000106361343 186109441 /nfs/dbraw/zinc/10/94/41/186109441.db2.gz NBMPYIQVVBBITO-CYBMUJFWSA-N 1 2 273.336 1.147 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000622084008 350982189 /nfs/dbraw/zinc/98/21/89/350982189.db2.gz PSNLDCJBFNREPV-GXFFZTMASA-N 1 2 251.330 1.407 20 30 CDEDLO C#Cc1ccccc1CC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000291893623 198098481 /nfs/dbraw/zinc/09/84/81/198098481.db2.gz JGCGWKLXEWHCGX-AWEZNQCLSA-N 1 2 281.359 1.859 20 30 CDEDLO Cc1ccn2cc(CNC(=O)[C@]3(C#N)C[C@H]3C)[nH+]c2c1 ZINC000336248226 363228831 /nfs/dbraw/zinc/22/88/31/363228831.db2.gz YCUPFQRLBBOKLN-ABAIWWIYSA-N 1 2 268.320 1.809 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000488214934 366097556 /nfs/dbraw/zinc/09/75/56/366097556.db2.gz FWJKHYOEKJCITG-ZDUSSCGKSA-N 1 2 268.401 1.910 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000488214934 366097559 /nfs/dbraw/zinc/09/75/59/366097559.db2.gz FWJKHYOEKJCITG-ZDUSSCGKSA-N 1 2 268.401 1.910 20 30 CDEDLO N#CCC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000355480857 366103946 /nfs/dbraw/zinc/10/39/46/366103946.db2.gz DEGNCDYNXWYXKS-UHFFFAOYSA-N 1 2 268.320 1.504 20 30 CDEDLO Cc1c(C#N)cccc1NC(=O)NCc1[nH]cc[nH+]1 ZINC000336312773 356144263 /nfs/dbraw/zinc/14/42/63/356144263.db2.gz XWENBIKLHOUZSR-UHFFFAOYSA-N 1 2 255.281 1.912 20 30 CDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000134499507 356326648 /nfs/dbraw/zinc/32/66/48/356326648.db2.gz NSIPDWVAILOAPA-LLVKDONJSA-N 1 2 284.319 1.408 20 30 CDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000134499483 356326763 /nfs/dbraw/zinc/32/67/63/356326763.db2.gz NSIPDWVAILOAPA-NSHDSACASA-N 1 2 284.319 1.408 20 30 CDEDLO CC#CC[C@@H](CO)NC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000636111272 363534786 /nfs/dbraw/zinc/53/47/86/363534786.db2.gz KHFSGXQMJYHWMC-ZDUSSCGKSA-N 1 2 271.320 1.147 20 30 CDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CC2CCC2)CC1 ZINC000329601797 538590114 /nfs/dbraw/zinc/59/01/14/538590114.db2.gz FIXAMLGHRRGOSK-GFCCVEGCSA-N 1 2 293.411 1.828 20 30 CDEDLO N#Cc1c(Cl)nsc1NCCC[NH+]1CCOCC1 ZINC000048544013 356876801 /nfs/dbraw/zinc/87/68/01/356876801.db2.gz KBSNZRYBJHBHLO-UHFFFAOYSA-N 1 2 286.788 1.802 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000299082415 356970487 /nfs/dbraw/zinc/97/04/87/356970487.db2.gz UEISQUUGJKPPMP-LLVKDONJSA-N 1 2 286.335 1.744 20 30 CDEDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000165481304 357066813 /nfs/dbraw/zinc/06/68/13/357066813.db2.gz OVZJWHJMATYFAF-CQSZACIVSA-N 1 2 257.337 1.577 20 30 CDEDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000165481304 357066816 /nfs/dbraw/zinc/06/68/16/357066816.db2.gz OVZJWHJMATYFAF-CQSZACIVSA-N 1 2 257.337 1.577 20 30 CDEDLO Cc1csc(C(C#N)C(=O)Cn2cc[nH+]c2C)n1 ZINC000180012269 357236180 /nfs/dbraw/zinc/23/61/80/357236180.db2.gz IDYMADBOPCATCS-JTQLQIEISA-N 1 2 260.322 1.833 20 30 CDEDLO Cc1nc(C(=O)N(C)Cc2[nH]cc[nH+]2)ccc1C#N ZINC000070979110 357178313 /nfs/dbraw/zinc/17/83/13/357178313.db2.gz GEKKMANEGZXAOI-UHFFFAOYSA-N 1 2 255.281 1.257 20 30 CDEDLO NC(CN1CCOCC1)=[NH+]OCc1c(F)cccc1F ZINC000180659581 357280082 /nfs/dbraw/zinc/28/00/82/357280082.db2.gz ITWCRPDJBHIVHX-UHFFFAOYSA-N 1 2 285.294 1.086 20 30 CDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1c(F)cccc1F ZINC000180659951 357280520 /nfs/dbraw/zinc/28/05/20/357280520.db2.gz MQZMVQWYHAKGNG-UHFFFAOYSA-N 1 2 285.294 1.668 20 30 CDEDLO C[C@H](CC(=O)Nc1nn(C)cc1C#N)n1cc[nH+]c1 ZINC000566303473 357452167 /nfs/dbraw/zinc/45/21/67/357452167.db2.gz DRNPXHSEHPMDMT-SECBINFHSA-N 1 2 258.285 1.078 20 30 CDEDLO C=C(Br)C[N@H+]1CCSC[C@@H]1CO ZINC000307020062 357638288 /nfs/dbraw/zinc/63/82/88/357638288.db2.gz SNEPFNFPIUVQTA-QMMMGPOBSA-N 1 2 252.177 1.305 20 30 CDEDLO C=C(Br)C[N@@H+]1CCSC[C@@H]1CO ZINC000307020062 357638294 /nfs/dbraw/zinc/63/82/94/357638294.db2.gz SNEPFNFPIUVQTA-QMMMGPOBSA-N 1 2 252.177 1.305 20 30 CDEDLO C#CCNC(=O)CC[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C ZINC000294409454 199029415 /nfs/dbraw/zinc/02/94/15/199029415.db2.gz CWNWFSWTWAZZSE-ZDUSSCGKSA-N 1 2 282.384 1.082 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(C#N)cc1 ZINC000335861569 357996547 /nfs/dbraw/zinc/99/65/47/357996547.db2.gz CPCZVUNQYHSNNI-UHFFFAOYSA-N 1 2 255.281 1.613 20 30 CDEDLO C#CCO[C@@H](C)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000294589575 199097698 /nfs/dbraw/zinc/09/76/98/199097698.db2.gz UHFPTMALIBYPBI-ZDUSSCGKSA-N 1 2 299.374 1.889 20 30 CDEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000082255004 358152356 /nfs/dbraw/zinc/15/23/56/358152356.db2.gz GSHOCYCLHKBZCI-GFCCVEGCSA-N 1 2 258.325 1.200 20 30 CDEDLO COc1cc(C[N@H+](C)CC(=O)N(C)C)ccc1C#N ZINC000234794063 358272916 /nfs/dbraw/zinc/27/29/16/358272916.db2.gz CMGARQGERKPGOL-UHFFFAOYSA-N 1 2 261.325 1.087 20 30 CDEDLO COc1cc(C[N@@H+](C)CC(=O)N(C)C)ccc1C#N ZINC000234794063 358272918 /nfs/dbraw/zinc/27/29/18/358272918.db2.gz CMGARQGERKPGOL-UHFFFAOYSA-N 1 2 261.325 1.087 20 30 CDEDLO C[C@@H]1CCN(C(=O)c2ccnc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000193529090 358301486 /nfs/dbraw/zinc/30/14/86/358301486.db2.gz NMTVVMBYNIOASM-DOMZBBRYSA-N 1 2 295.346 1.873 20 30 CDEDLO N#Cc1cc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)ccn1 ZINC000193672438 358314965 /nfs/dbraw/zinc/31/49/65/358314965.db2.gz VCPGTUSHFJSSKV-CYBMUJFWSA-N 1 2 293.330 1.357 20 30 CDEDLO OC(=Cc1ccc(F)cc1F)NC1=[NH+]CCS1 ZINC000087005913 358318567 /nfs/dbraw/zinc/31/85/67/358318567.db2.gz IRYWCVVCTFZYQO-UHFFFAOYSA-N 1 2 256.277 1.726 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+](CC)CC(=O)NCC ZINC000119327007 358641225 /nfs/dbraw/zinc/64/12/25/358641225.db2.gz RLAHVVBODVTXFH-UHFFFAOYSA-N 1 2 274.364 1.657 20 30 CDEDLO C#CCOc1ccccc1C[N@H+](CC)CC(=O)NCC ZINC000119327007 358641227 /nfs/dbraw/zinc/64/12/27/358641227.db2.gz RLAHVVBODVTXFH-UHFFFAOYSA-N 1 2 274.364 1.657 20 30 CDEDLO N#Cc1ccccc1OCC(=O)N1CCn2c[nH+]cc2C1 ZINC000290984016 358799770 /nfs/dbraw/zinc/79/97/70/358799770.db2.gz WBHQFPDZADGMEU-UHFFFAOYSA-N 1 2 282.303 1.176 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@H](CCCC)C(=O)OC)nn1 ZINC000603196561 358891464 /nfs/dbraw/zinc/89/14/64/358891464.db2.gz BITBWWDWJFKDNC-CYBMUJFWSA-N 1 2 278.356 1.295 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000037842071 359150965 /nfs/dbraw/zinc/15/09/65/359150965.db2.gz RUJKLLUIAIQZEV-UHFFFAOYSA-N 1 2 281.359 1.488 20 30 CDEDLO C=CCCCCNC(=O)NCCCn1cc[nH+]c1 ZINC000274514934 359509450 /nfs/dbraw/zinc/50/94/50/359509450.db2.gz NQYIYDAZOBIYPV-UHFFFAOYSA-N 1 2 250.346 1.929 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000277037384 359556038 /nfs/dbraw/zinc/55/60/38/359556038.db2.gz SVCHCHQADWACIA-NSHDSACASA-N 1 2 258.321 1.781 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000277037384 359556042 /nfs/dbraw/zinc/55/60/42/359556042.db2.gz SVCHCHQADWACIA-NSHDSACASA-N 1 2 258.321 1.781 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)C[C@H]2CCC(=O)[C@@H]2C)CC1 ZINC000279671232 359593251 /nfs/dbraw/zinc/59/32/51/359593251.db2.gz HUSRBVUSKBAFMY-ZIAGYGMSSA-N 1 2 276.380 1.159 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCc1[nH+]ccn1CC ZINC000297157722 200100866 /nfs/dbraw/zinc/10/08/66/200100866.db2.gz JNONZMMJYLULOT-AWEZNQCLSA-N 1 2 265.357 1.748 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(CC#N)cc2)CCO1 ZINC000533962155 359775614 /nfs/dbraw/zinc/77/56/14/359775614.db2.gz CPDWZLHMCXMMAI-CYBMUJFWSA-N 1 2 287.363 1.203 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(CC#N)cc2)CCO1 ZINC000533962155 359775618 /nfs/dbraw/zinc/77/56/18/359775618.db2.gz CPDWZLHMCXMMAI-CYBMUJFWSA-N 1 2 287.363 1.203 20 30 CDEDLO C=CC1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000111858418 359926425 /nfs/dbraw/zinc/92/64/25/359926425.db2.gz FCDBOVJRCJXJPX-KGLIPLIRSA-N 1 2 295.427 1.703 20 30 CDEDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000176821357 189010575 /nfs/dbraw/zinc/01/05/75/189010575.db2.gz FBOHYDVKFKXPHA-CYBMUJFWSA-N 1 2 261.300 1.408 20 30 CDEDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000176821357 189010576 /nfs/dbraw/zinc/01/05/76/189010576.db2.gz FBOHYDVKFKXPHA-CYBMUJFWSA-N 1 2 261.300 1.408 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3CC(C)(C#N)C3)ccn12 ZINC000514739601 360369661 /nfs/dbraw/zinc/36/96/61/360369661.db2.gz SLDMDVYMUAFBHJ-UHFFFAOYSA-N 1 2 254.293 1.628 20 30 CDEDLO COCCCNC(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000112673635 360529674 /nfs/dbraw/zinc/52/96/74/360529674.db2.gz WVZJRJXDAFRQHM-UHFFFAOYSA-N 1 2 269.389 1.401 20 30 CDEDLO COCCCNC(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000112673635 360529683 /nfs/dbraw/zinc/52/96/83/360529683.db2.gz WVZJRJXDAFRQHM-UHFFFAOYSA-N 1 2 269.389 1.401 20 30 CDEDLO CC#CC[NH+]1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429397619 360821322 /nfs/dbraw/zinc/82/13/22/360821322.db2.gz SAVRLORUWXADKD-STQMWFEESA-N 1 2 250.386 1.977 20 30 CDEDLO Cc1ccoc1C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000429406202 360823613 /nfs/dbraw/zinc/82/36/13/360823613.db2.gz JROBUNQTXNHNBS-LBPRGKRZSA-N 1 2 275.352 1.971 20 30 CDEDLO Cc1ccoc1C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000429406202 360823617 /nfs/dbraw/zinc/82/36/17/360823617.db2.gz JROBUNQTXNHNBS-LBPRGKRZSA-N 1 2 275.352 1.971 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2ccc(OC)c(C#N)c2)CCO1 ZINC000179222562 189178893 /nfs/dbraw/zinc/17/88/93/189178893.db2.gz VLLPHNLGIVGKIH-AWEZNQCLSA-N 1 2 276.336 1.414 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2ccc(OC)c(C#N)c2)CCO1 ZINC000179222562 189178894 /nfs/dbraw/zinc/17/88/94/189178894.db2.gz VLLPHNLGIVGKIH-AWEZNQCLSA-N 1 2 276.336 1.414 20 30 CDEDLO Cn1cc(C[N@@H+]2CCOC[C@@H]2CC(F)F)cc1C#N ZINC000289746910 360876150 /nfs/dbraw/zinc/87/61/50/360876150.db2.gz QIWJEMCAQKXUHP-LBPRGKRZSA-N 1 2 269.295 1.753 20 30 CDEDLO Cn1cc(C[N@H+]2CCOC[C@@H]2CC(F)F)cc1C#N ZINC000289746910 360876152 /nfs/dbraw/zinc/87/61/52/360876152.db2.gz QIWJEMCAQKXUHP-LBPRGKRZSA-N 1 2 269.295 1.753 20 30 CDEDLO CC[C@@]1(C)COCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000575181637 361055154 /nfs/dbraw/zinc/05/51/54/361055154.db2.gz SGDBRFDCAKOXPO-HNNXBMFYSA-N 1 2 285.351 1.602 20 30 CDEDLO CC[C@@]1(C)COCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000575181637 361055164 /nfs/dbraw/zinc/05/51/64/361055164.db2.gz SGDBRFDCAKOXPO-HNNXBMFYSA-N 1 2 285.351 1.602 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000248164681 361284433 /nfs/dbraw/zinc/28/44/33/361284433.db2.gz SSLXTUQSBYQNGD-AGIUHOORSA-N 1 2 267.373 1.104 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000248164681 361284442 /nfs/dbraw/zinc/28/44/42/361284442.db2.gz SSLXTUQSBYQNGD-AGIUHOORSA-N 1 2 267.373 1.104 20 30 CDEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000367262456 361256140 /nfs/dbraw/zinc/25/61/40/361256140.db2.gz NHQAKEWIPVMAAP-OAHLLOKOSA-N 1 2 287.363 1.237 20 30 CDEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000367262456 361256146 /nfs/dbraw/zinc/25/61/46/361256146.db2.gz NHQAKEWIPVMAAP-OAHLLOKOSA-N 1 2 287.363 1.237 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000181536716 189299597 /nfs/dbraw/zinc/29/95/97/189299597.db2.gz BRVJVZJOTJAKJX-HNNXBMFYSA-N 1 2 274.364 1.232 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000181536716 189299598 /nfs/dbraw/zinc/29/95/98/189299598.db2.gz BRVJVZJOTJAKJX-HNNXBMFYSA-N 1 2 274.364 1.232 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)C1(C(=O)OC)CCCC1 ZINC000159185240 361561267 /nfs/dbraw/zinc/56/12/67/361561267.db2.gz KRGJOBUZAXBBOP-UHFFFAOYSA-N 1 2 296.411 1.829 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)C1(C(=O)OC)CCCC1 ZINC000159185240 361561271 /nfs/dbraw/zinc/56/12/71/361561271.db2.gz KRGJOBUZAXBBOP-UHFFFAOYSA-N 1 2 296.411 1.829 20 30 CDEDLO C=C1CC[NH+](CC(=O)NC(=O)NC2CCCC2)CC1 ZINC000532553300 363963463 /nfs/dbraw/zinc/96/34/63/363963463.db2.gz YOAOOOVXDSFPNX-UHFFFAOYSA-N 1 2 265.357 1.407 20 30 CDEDLO C[C@@H]1C[C@@H](NC(=O)CNc2cccc(C#N)c2)c2[nH+]ccn21 ZINC000456435129 364369867 /nfs/dbraw/zinc/36/98/67/364369867.db2.gz VJFVOLNHDFELTB-BXUZGUMPSA-N 1 2 295.346 1.989 20 30 CDEDLO O=C(NCC#Cc1cccc(F)c1)N1CCn2c[nH+]cc2C1 ZINC000580207660 364896632 /nfs/dbraw/zinc/89/66/32/364896632.db2.gz LORPOBKGASEEDD-UHFFFAOYSA-N 1 2 298.321 1.599 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(C)cn2)nn1 ZINC000641068440 364925348 /nfs/dbraw/zinc/92/53/48/364925348.db2.gz GTONHWIVJLBPSQ-UHFFFAOYSA-N 1 2 255.325 1.143 20 30 CDEDLO Cc1nnc(NCC[N@@H+]2CCOCC2(C)C)c(C#N)c1C ZINC000170869467 365147633 /nfs/dbraw/zinc/14/76/33/365147633.db2.gz APRCCFAZLRAJFY-UHFFFAOYSA-N 1 2 289.383 1.488 20 30 CDEDLO Cc1nnc(NCC[N@H+]2CCOCC2(C)C)c(C#N)c1C ZINC000170869467 365147637 /nfs/dbraw/zinc/14/76/37/365147637.db2.gz APRCCFAZLRAJFY-UHFFFAOYSA-N 1 2 289.383 1.488 20 30 CDEDLO N#Cc1csc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000548310363 366887120 /nfs/dbraw/zinc/88/71/20/366887120.db2.gz HPIASAHFKLWUTJ-JTQLQIEISA-N 1 2 272.333 1.561 20 30 CDEDLO C=CCOCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000354068021 365405591 /nfs/dbraw/zinc/40/55/91/365405591.db2.gz JQUPYAPGQOTOGJ-UHFFFAOYSA-N 1 2 280.393 1.595 20 30 CDEDLO C=CC[N@@H+](C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 ZINC000637962435 367283894 /nfs/dbraw/zinc/28/38/94/367283894.db2.gz MOOFHLDKZSUMNT-IHRRRGAJSA-N 1 2 289.441 1.723 20 30 CDEDLO C=CC[N@H+](C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 ZINC000637962435 367283901 /nfs/dbraw/zinc/28/39/01/367283901.db2.gz MOOFHLDKZSUMNT-IHRRRGAJSA-N 1 2 289.441 1.723 20 30 CDEDLO C#CC[NH+]1CCN(Cn2ncn(C(C)(C)C)c2=S)CC1 ZINC000075711813 369444665 /nfs/dbraw/zinc/44/46/65/369444665.db2.gz RTLKLXMRBZPXEI-UHFFFAOYSA-N 1 2 293.440 1.377 20 30 CDEDLO COc1ccc(C[NH2+][C@H](C)c2ncnn2C)cc1C#N ZINC000276407512 193318847 /nfs/dbraw/zinc/31/88/47/193318847.db2.gz AVQPLGMLHOEKQK-SNVBAGLBSA-N 1 2 271.324 1.546 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H]1CN(c2ccccc2)CCO1 ZINC000565841328 370548139 /nfs/dbraw/zinc/54/81/39/370548139.db2.gz SNHMAWSQFJVNPI-OAHLLOKOSA-N 1 2 259.353 1.737 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H]1CN(c2ccccc2)CCO1 ZINC000565841328 370548145 /nfs/dbraw/zinc/54/81/45/370548145.db2.gz SNHMAWSQFJVNPI-OAHLLOKOSA-N 1 2 259.353 1.737 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(F)c(F)c1 ZINC000567694148 371104724 /nfs/dbraw/zinc/10/47/24/371104724.db2.gz JSZCLRQQTJWCPM-NSHDSACASA-N 1 2 269.295 1.583 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(F)c(F)c1 ZINC000567694148 371104729 /nfs/dbraw/zinc/10/47/29/371104729.db2.gz JSZCLRQQTJWCPM-NSHDSACASA-N 1 2 269.295 1.583 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000568715523 371229687 /nfs/dbraw/zinc/22/96/87/371229687.db2.gz YUTHCPSUCOVWKG-WOPDTQHZSA-N 1 2 263.341 1.814 20 30 CDEDLO CC[C@@H](C#N)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000044810400 371513283 /nfs/dbraw/zinc/51/32/83/371513283.db2.gz XDKYAUYZEZXOOU-LBPRGKRZSA-N 1 2 258.325 1.280 20 30 CDEDLO C=CCOCC[NH2+][C@H](C(=O)OC)[C@@H]1CCC[C@H](OC)C1 ZINC000578016828 372224285 /nfs/dbraw/zinc/22/42/85/372224285.db2.gz MBQMBRXSQCVBON-RDBSUJKOSA-N 1 2 285.384 1.525 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC000578203168 372347279 /nfs/dbraw/zinc/34/72/79/372347279.db2.gz JKCDBBMMIDJLKL-SNVBAGLBSA-N 1 2 266.345 1.037 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000299363484 372555355 /nfs/dbraw/zinc/55/53/55/372555355.db2.gz ZPLNBDXXDOLGDX-UHFFFAOYSA-N 1 2 273.336 1.333 20 30 CDEDLO C[C@H](C#N)CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000182735165 372619654 /nfs/dbraw/zinc/61/96/54/372619654.db2.gz IZJVRMYVPFDOGU-NEPJUHHUSA-N 1 2 273.340 1.119 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC(C#N)CC1)C1CC1 ZINC000579936819 372651932 /nfs/dbraw/zinc/65/19/32/372651932.db2.gz OYYQNUVSANHBKH-ZDUSSCGKSA-N 1 2 287.367 1.816 20 30 CDEDLO Cn1cc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)nn1 ZINC000347972777 372667975 /nfs/dbraw/zinc/66/79/75/372667975.db2.gz KSVJWTIZELPWAK-UHFFFAOYSA-N 1 2 279.347 1.976 20 30 CDEDLO Cn1cc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)nn1 ZINC000347972777 372667986 /nfs/dbraw/zinc/66/79/86/372667986.db2.gz KSVJWTIZELPWAK-UHFFFAOYSA-N 1 2 279.347 1.976 20 30 CDEDLO CC[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)C[C@@H](C)[S@@]1=O ZINC000348543160 373290727 /nfs/dbraw/zinc/29/07/27/373290727.db2.gz FYTVBHQNIZJISW-LCCAYYTGSA-N 1 2 279.409 1.628 20 30 CDEDLO CC[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)C[C@@H](C)[S@@]1=O ZINC000348543160 373290739 /nfs/dbraw/zinc/29/07/39/373290739.db2.gz FYTVBHQNIZJISW-LCCAYYTGSA-N 1 2 279.409 1.628 20 30 CDEDLO CCCN1CC[N@H+](Cc2cc(C#N)n(C)c2)C(C)(C)C1=O ZINC000191535939 373513632 /nfs/dbraw/zinc/51/36/32/373513632.db2.gz KBGHULFNQHZSBW-UHFFFAOYSA-N 1 2 288.395 1.730 20 30 CDEDLO CCCN1CC[N@@H+](Cc2cc(C#N)n(C)c2)C(C)(C)C1=O ZINC000191535939 373513640 /nfs/dbraw/zinc/51/36/40/373513640.db2.gz KBGHULFNQHZSBW-UHFFFAOYSA-N 1 2 288.395 1.730 20 30 CDEDLO C#CCCCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000192137754 373590638 /nfs/dbraw/zinc/59/06/38/373590638.db2.gz AIKAQHJAZQFCHJ-AWEZNQCLSA-N 1 2 264.369 1.113 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000296734086 373822874 /nfs/dbraw/zinc/82/28/74/373822874.db2.gz OECKODGFDAUOMG-CQSZACIVSA-N 1 2 291.326 1.970 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000296734086 373822883 /nfs/dbraw/zinc/82/28/83/373822883.db2.gz OECKODGFDAUOMG-CQSZACIVSA-N 1 2 291.326 1.970 20 30 CDEDLO C[N@H+](CC(=O)Nc1sccc1C#N)[C@H]1CCOC1 ZINC000106883482 373787661 /nfs/dbraw/zinc/78/76/61/373787661.db2.gz KNUGGNXXZLBHCZ-JTQLQIEISA-N 1 2 265.338 1.279 20 30 CDEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)[C@H]1CCOC1 ZINC000106883482 373787668 /nfs/dbraw/zinc/78/76/68/373787668.db2.gz KNUGGNXXZLBHCZ-JTQLQIEISA-N 1 2 265.338 1.279 20 30 CDEDLO CCC[N@H+](CC(=O)NC)Cc1cn2ccccc2c1C#N ZINC000298835238 373872487 /nfs/dbraw/zinc/87/24/87/373872487.db2.gz BKYTYHLJYGWRNV-UHFFFAOYSA-N 1 2 284.363 1.769 20 30 CDEDLO CCC[N@@H+](CC(=O)NC)Cc1cn2ccccc2c1C#N ZINC000298835238 373872493 /nfs/dbraw/zinc/87/24/93/373872493.db2.gz BKYTYHLJYGWRNV-UHFFFAOYSA-N 1 2 284.363 1.769 20 30 CDEDLO CCc1c[nH+]ccc1NC(=O)COc1ccc(C#N)cc1 ZINC000357578105 373921774 /nfs/dbraw/zinc/92/17/74/373921774.db2.gz BTKSRJMSYBTZCC-UHFFFAOYSA-N 1 2 281.315 1.955 20 30 CDEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc(C#N)o3)n2)C1 ZINC000350528924 374020796 /nfs/dbraw/zinc/02/07/96/374020796.db2.gz QXYOXMIZKTZXDT-LBPRGKRZSA-N 1 2 288.307 1.983 20 30 CDEDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc(C#N)o3)n2)C1 ZINC000350528924 374020807 /nfs/dbraw/zinc/02/08/07/374020807.db2.gz QXYOXMIZKTZXDT-LBPRGKRZSA-N 1 2 288.307 1.983 20 30 CDEDLO CC(C)[C@@H](CNc1ncc(C#N)cc1F)[NH+]1CCOCC1 ZINC000413034299 374203760 /nfs/dbraw/zinc/20/37/60/374203760.db2.gz ASSCSSHSWOLCRH-CQSZACIVSA-N 1 2 292.358 1.861 20 30 CDEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)C(=O)N1CCCCC1 ZINC000352823197 374361265 /nfs/dbraw/zinc/36/12/65/374361265.db2.gz MUMRUDNAOWBPRI-SNVBAGLBSA-N 1 2 278.381 1.505 20 30 CDEDLO C[C@H]1COCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000279604370 374932322 /nfs/dbraw/zinc/93/23/22/374932322.db2.gz XFVDWYUUUINTRF-XJKSGUPXSA-N 1 2 299.374 1.774 20 30 CDEDLO C[C@H]1COCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000279604370 374932325 /nfs/dbraw/zinc/93/23/25/374932325.db2.gz XFVDWYUUUINTRF-XJKSGUPXSA-N 1 2 299.374 1.774 20 30 CDEDLO CC1=CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000280735095 375018421 /nfs/dbraw/zinc/01/84/21/375018421.db2.gz HLAHZAOASINDQW-UHFFFAOYSA-N 1 2 290.388 1.984 20 30 CDEDLO CC1=CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000280735095 375018425 /nfs/dbraw/zinc/01/84/25/375018425.db2.gz HLAHZAOASINDQW-UHFFFAOYSA-N 1 2 290.388 1.984 20 30 CDEDLO COc1cc(C[N@@H+]2CC[S@](=O)C[C@H](C)C2)ccc1C#N ZINC000282318322 375079538 /nfs/dbraw/zinc/07/95/38/375079538.db2.gz NLHFFHMJKAXISW-ODXCJYRJSA-N 1 2 292.404 1.767 20 30 CDEDLO COc1cc(C[N@H+]2CC[S@](=O)C[C@H](C)C2)ccc1C#N ZINC000282318322 375079543 /nfs/dbraw/zinc/07/95/43/375079543.db2.gz NLHFFHMJKAXISW-ODXCJYRJSA-N 1 2 292.404 1.767 20 30 CDEDLO CN1CCO[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@@H]21 ZINC000131156464 375094413 /nfs/dbraw/zinc/09/44/13/375094413.db2.gz KGKMGGFQABXFNX-GJZGRUSLSA-N 1 2 275.327 1.212 20 30 CDEDLO CN1CCO[C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@@H]21 ZINC000131156464 375094425 /nfs/dbraw/zinc/09/44/25/375094425.db2.gz KGKMGGFQABXFNX-GJZGRUSLSA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3ccc(C#N)cc3F)C[C@@H]21 ZINC000131156464 375094431 /nfs/dbraw/zinc/09/44/31/375094431.db2.gz KGKMGGFQABXFNX-GJZGRUSLSA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3ccc(C#N)cc3F)C[C@@H]21 ZINC000131156464 375094436 /nfs/dbraw/zinc/09/44/36/375094436.db2.gz KGKMGGFQABXFNX-GJZGRUSLSA-N 1 2 275.327 1.212 20 30 CDEDLO Cn1ncnc1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000638897217 375188861 /nfs/dbraw/zinc/18/88/61/375188861.db2.gz CYFUUIKFRXQWGL-UHFFFAOYSA-N 1 2 294.280 1.975 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H](C)n1cncn1)CCC2 ZINC000328808928 375960203 /nfs/dbraw/zinc/96/02/03/375960203.db2.gz MIIDCTYNDRROFL-NEPJUHHUSA-N 1 2 288.355 1.878 20 30 CDEDLO C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)S(=O)(=O)C1CC1 ZINC000328797657 375973919 /nfs/dbraw/zinc/97/39/19/375973919.db2.gz FIYMNUGBTRAQPR-JTQLQIEISA-N 1 2 288.413 1.393 20 30 CDEDLO C[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)S(=O)(=O)C1CC1 ZINC000328797657 375973923 /nfs/dbraw/zinc/97/39/23/375973923.db2.gz FIYMNUGBTRAQPR-JTQLQIEISA-N 1 2 288.413 1.393 20 30 CDEDLO C=CC[N@@H+](C[C@H](CC(C)C)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000419231516 376102948 /nfs/dbraw/zinc/10/29/48/376102948.db2.gz ZYICKZSNGAAOQH-KGLIPLIRSA-N 1 2 289.441 1.723 20 30 CDEDLO C=CC[N@H+](C[C@H](CC(C)C)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000419231516 376102952 /nfs/dbraw/zinc/10/29/52/376102952.db2.gz ZYICKZSNGAAOQH-KGLIPLIRSA-N 1 2 289.441 1.723 20 30 CDEDLO C=C1CC[NH+]([C@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000264513021 190115082 /nfs/dbraw/zinc/11/50/82/190115082.db2.gz GDDZYPORGLUPLX-SECBINFHSA-N 1 2 250.264 1.705 20 30 CDEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NC(=O)NC1CC1 ZINC000072691586 376803339 /nfs/dbraw/zinc/80/33/39/376803339.db2.gz YEBJYCDMEVQKMI-UHFFFAOYSA-N 1 2 280.372 1.236 20 30 CDEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NC(=O)NC1CC1 ZINC000072691586 376803345 /nfs/dbraw/zinc/80/33/45/376803345.db2.gz YEBJYCDMEVQKMI-UHFFFAOYSA-N 1 2 280.372 1.236 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000264896284 190142180 /nfs/dbraw/zinc/14/21/80/190142180.db2.gz APAYVVPIAYDXHK-LBPRGKRZSA-N 1 2 292.404 1.956 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000264896284 190142181 /nfs/dbraw/zinc/14/21/81/190142181.db2.gz APAYVVPIAYDXHK-LBPRGKRZSA-N 1 2 292.404 1.956 20 30 CDEDLO Cc1noc(C)c1CN1CC[NH+](CCCC#N)CC1 ZINC000057879276 377860062 /nfs/dbraw/zinc/86/00/62/377860062.db2.gz MOVZVQRLEQRXKZ-UHFFFAOYSA-N 1 2 262.357 1.713 20 30 CDEDLO Cc1noc(C)c1C[NH+]1CCN(CCCC#N)CC1 ZINC000057879276 377860069 /nfs/dbraw/zinc/86/00/69/377860069.db2.gz MOVZVQRLEQRXKZ-UHFFFAOYSA-N 1 2 262.357 1.713 20 30 CDEDLO C[C@H](C#N)CNC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000563760269 378060781 /nfs/dbraw/zinc/06/07/81/378060781.db2.gz LIPFXZSYWKKUHK-GFCCVEGCSA-N 1 2 297.362 1.527 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(C)Cc1ccccc1OC ZINC000192222133 378175612 /nfs/dbraw/zinc/17/56/12/378175612.db2.gz GKDAKULZKXTMIR-UHFFFAOYSA-N 1 2 260.337 1.219 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N(C)Cc1ccccc1OC ZINC000192222133 378175620 /nfs/dbraw/zinc/17/56/20/378175620.db2.gz GKDAKULZKXTMIR-UHFFFAOYSA-N 1 2 260.337 1.219 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000192226290 378176456 /nfs/dbraw/zinc/17/64/56/378176456.db2.gz JIRIMMBYKMWWOZ-SNVBAGLBSA-N 1 2 259.309 1.660 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000192226290 378176459 /nfs/dbraw/zinc/17/64/59/378176459.db2.gz JIRIMMBYKMWWOZ-SNVBAGLBSA-N 1 2 259.309 1.660 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000192220159 378177764 /nfs/dbraw/zinc/17/77/64/378177764.db2.gz MPLCTIZALRUICE-UHFFFAOYSA-N 1 2 254.692 1.983 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000192220159 378177772 /nfs/dbraw/zinc/17/77/72/378177772.db2.gz MPLCTIZALRUICE-UHFFFAOYSA-N 1 2 254.692 1.983 20 30 CDEDLO C#C[C@H](C)NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000286973958 378230619 /nfs/dbraw/zinc/23/06/19/378230619.db2.gz FGPOLXXHGYPEQA-NSHDSACASA-N 1 2 288.351 1.370 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(C)=O)C2)cc1 ZINC000290158276 378363613 /nfs/dbraw/zinc/36/36/13/378363613.db2.gz XFLIUMHKMRRINU-INIZCTEOSA-N 1 2 272.348 1.005 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CCO[C@@H](CNC(C)=O)C2)cc1 ZINC000290158276 378363615 /nfs/dbraw/zinc/36/36/15/378363615.db2.gz XFLIUMHKMRRINU-INIZCTEOSA-N 1 2 272.348 1.005 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1cc(C)ccc1OC ZINC000293129875 378540547 /nfs/dbraw/zinc/54/05/47/378540547.db2.gz MTOAGVPHCGAICF-UHFFFAOYSA-N 1 2 260.337 1.897 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1cc(C)ccc1OC ZINC000293129875 378540551 /nfs/dbraw/zinc/54/05/51/378540551.db2.gz MTOAGVPHCGAICF-UHFFFAOYSA-N 1 2 260.337 1.897 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)c2cnc(C)nc2C)C1=O ZINC000639132104 378767968 /nfs/dbraw/zinc/76/79/68/378767968.db2.gz FCVHVSRLFZRXHX-SWLSCSKDSA-N 1 2 288.395 1.873 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)c2cnc(C)nc2C)C1=O ZINC000639132104 378767977 /nfs/dbraw/zinc/76/79/77/378767977.db2.gz FCVHVSRLFZRXHX-SWLSCSKDSA-N 1 2 288.395 1.873 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCN(CC)C(=O)C1(C)C ZINC000186561990 378852669 /nfs/dbraw/zinc/85/26/69/378852669.db2.gz DCTPDZUVOJKGJY-UHFFFAOYSA-N 1 2 293.411 1.130 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCN(CC)C(=O)C1(C)C ZINC000186561990 378852673 /nfs/dbraw/zinc/85/26/73/378852673.db2.gz DCTPDZUVOJKGJY-UHFFFAOYSA-N 1 2 293.411 1.130 20 30 CDEDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000042294828 379559873 /nfs/dbraw/zinc/55/98/73/379559873.db2.gz RZTAAIOQZOMDLC-ZDUSSCGKSA-N 1 2 261.300 1.408 20 30 CDEDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000042294828 379559877 /nfs/dbraw/zinc/55/98/77/379559877.db2.gz RZTAAIOQZOMDLC-ZDUSSCGKSA-N 1 2 261.300 1.408 20 30 CDEDLO C=CCCS(=O)(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000289050863 197222052 /nfs/dbraw/zinc/22/20/52/197222052.db2.gz YCMQPVOIVDPRFI-SNVBAGLBSA-N 1 2 257.359 1.602 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+](C)C(C)(C)C(N)=O ZINC000451137917 251618299 /nfs/dbraw/zinc/61/82/99/251618299.db2.gz WPLIARMWNQRTJH-UHFFFAOYSA-N 1 2 261.325 1.263 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+](C)C(C)(C)C(N)=O ZINC000451137917 251618301 /nfs/dbraw/zinc/61/83/01/251618301.db2.gz WPLIARMWNQRTJH-UHFFFAOYSA-N 1 2 261.325 1.263 20 30 CDEDLO N#Cc1ccc(/C=C\C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000492755924 253288234 /nfs/dbraw/zinc/28/82/34/253288234.db2.gz ZIJKHJOVIKYAAI-IYKSTZQJSA-N 1 2 292.342 1.899 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cn(C)nc2C(F)F)C1=O ZINC000281347827 195205870 /nfs/dbraw/zinc/20/58/70/195205870.db2.gz MVJIXOXMPMSDOP-NSHDSACASA-N 1 2 298.337 1.576 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cn(C)nc2C(F)F)C1=O ZINC000281347827 195205873 /nfs/dbraw/zinc/20/58/73/195205873.db2.gz MVJIXOXMPMSDOP-NSHDSACASA-N 1 2 298.337 1.576 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N[C@H](C)CC)C1=O ZINC000281358349 195209820 /nfs/dbraw/zinc/20/98/20/195209820.db2.gz NPYDBOBJEBIATI-AGIUHOORSA-N 1 2 281.400 1.008 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N[C@H](C)CC)C1=O ZINC000281358349 195209822 /nfs/dbraw/zinc/20/98/22/195209822.db2.gz NPYDBOBJEBIATI-AGIUHOORSA-N 1 2 281.400 1.008 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H]1CCCC[C@H]1O ZINC000574880680 335054913 /nfs/dbraw/zinc/05/49/13/335054913.db2.gz PWXXSUZAUOGOQB-JKSUJKDBSA-N 1 2 295.427 1.085 20 30 CDEDLO N#CCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000103480069 390478830 /nfs/dbraw/zinc/47/88/30/390478830.db2.gz ZKEMNMDOUFTCFC-CYBMUJFWSA-N 1 2 276.315 1.935 20 30 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C[C@H](NC(=O)C[N@@H+](C)[C@H]1CCSC1)c1nnc[nH]1 ZINC000328972819 391401327 /nfs/dbraw/zinc/40/13/27/391401327.db2.gz VNUUUIBLUOBMSQ-IUCAKERBSA-N 1 2 269.374 1.260 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C)C1=O ZINC000330403513 391416742 /nfs/dbraw/zinc/41/67/42/391416742.db2.gz VLGOVCGIBRVBTJ-RYUDHWBXSA-N 1 2 281.400 1.008 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)C1=O ZINC000330403513 391416746 /nfs/dbraw/zinc/41/67/46/391416746.db2.gz VLGOVCGIBRVBTJ-RYUDHWBXSA-N 1 2 281.400 1.008 20 30 CDEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1ccon1 ZINC000349246974 391539666 /nfs/dbraw/zinc/53/96/66/391539666.db2.gz UCBZKLMFBYPNBE-SNVBAGLBSA-N 1 2 250.302 1.087 20 30 CDEDLO CC[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)C[C@H](C)O1 ZINC000567896447 391546437 /nfs/dbraw/zinc/54/64/37/391546437.db2.gz OEXMMVBETUILOH-SMDDNHRTSA-N 1 2 285.351 1.600 20 30 CDEDLO CC[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)C[C@H](C)O1 ZINC000567896447 391546441 /nfs/dbraw/zinc/54/64/41/391546441.db2.gz 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C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCOCC2)C1 ZINC000329888518 391794556 /nfs/dbraw/zinc/79/45/56/391794556.db2.gz ZAHKHVULDGFURI-VXGBXAGGSA-N 1 2 256.346 1.090 20 30 CDEDLO O=C(NCC1(CO)CCCC1)C1([NH+]2CCOCC2)CCC1 ZINC000329950750 391805328 /nfs/dbraw/zinc/80/53/28/391805328.db2.gz HYTMVRUASISVLH-UHFFFAOYSA-N 1 2 296.411 1.751 20 30 CDEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CC23CCCC3)CC1 ZINC000329962826 391807203 /nfs/dbraw/zinc/80/72/03/391807203.db2.gz PMXJDZIXCLBLQR-CQSZACIVSA-N 1 2 293.411 1.687 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000193713499 391945353 /nfs/dbraw/zinc/94/53/53/391945353.db2.gz CWOSIHKMMFUIRW-INIZCTEOSA-N 1 2 272.348 1.858 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@H+]1CCOC[C@@]12CCOC2 ZINC000193713499 391945355 /nfs/dbraw/zinc/94/53/55/391945355.db2.gz CWOSIHKMMFUIRW-INIZCTEOSA-N 1 2 272.348 1.858 20 30 CDEDLO N#CCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000343015567 392076097 /nfs/dbraw/zinc/07/60/97/392076097.db2.gz QZGUFNTVSSAZHE-LBPRGKRZSA-N 1 2 254.293 1.571 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/nfs/dbraw/zinc/11/18/29/393111829.db2.gz KZJQVZIDPXZPTJ-UHFFFAOYSA-N 1 2 296.392 1.433 20 30 CDEDLO C[C@H]1C[N@H+](Cc2cc(C#N)cs2)C[C@H](CO)O1 ZINC000191523612 393121037 /nfs/dbraw/zinc/12/10/37/393121037.db2.gz NKFBARAUUOJILF-GXSJLCMTSA-N 1 2 252.339 1.201 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)cs2)C[C@H](CO)O1 ZINC000191523612 393121041 /nfs/dbraw/zinc/12/10/41/393121041.db2.gz NKFBARAUUOJILF-GXSJLCMTSA-N 1 2 252.339 1.201 20 30 CDEDLO Cc1nc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)ccc1C#N ZINC000333716327 393186373 /nfs/dbraw/zinc/18/63/73/393186373.db2.gz QOGVLPJMFXWWGG-JOYOIKCWSA-N 1 2 253.309 1.998 20 30 CDEDLO COCCN(Cc1[nH+]ccn1C)Cc1ccc(C#N)cc1 ZINC000195515392 393265186 /nfs/dbraw/zinc/26/51/86/393265186.db2.gz YMVCHWMVIWHLFC-UHFFFAOYSA-N 1 2 284.363 1.940 20 30 CDEDLO COCC[N@H+](Cc1nccn1C)Cc1ccc(C#N)cc1 ZINC000195515392 393265191 /nfs/dbraw/zinc/26/51/91/393265191.db2.gz YMVCHWMVIWHLFC-UHFFFAOYSA-N 1 2 284.363 1.940 20 30 CDEDLO COCC[N@@H+](Cc1nccn1C)Cc1ccc(C#N)cc1 ZINC000195515392 393265197 /nfs/dbraw/zinc/26/51/97/393265197.db2.gz YMVCHWMVIWHLFC-UHFFFAOYSA-N 1 2 284.363 1.940 20 30 CDEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)C[C@@H]1OC ZINC000487963630 393357456 /nfs/dbraw/zinc/35/74/56/393357456.db2.gz RGLJGQYYPFDJOT-OKILXGFUSA-N 1 2 264.300 1.543 20 30 CDEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)C[C@@H]1OC ZINC000487963630 393357461 /nfs/dbraw/zinc/35/74/61/393357461.db2.gz RGLJGQYYPFDJOT-OKILXGFUSA-N 1 2 264.300 1.543 20 30 CDEDLO CC(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000221986929 140170666 /nfs/dbraw/zinc/17/06/66/140170666.db2.gz KVFUDDCRXXRQAU-ZDUSSCGKSA-N 1 2 261.300 1.408 20 30 CDEDLO CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000221986929 140170667 /nfs/dbraw/zinc/17/06/67/140170667.db2.gz KVFUDDCRXXRQAU-ZDUSSCGKSA-N 1 2 261.300 1.408 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)s1 ZINC000230334519 140210565 /nfs/dbraw/zinc/21/05/65/140210565.db2.gz DHGUUKVRUQBQNG-UHFFFAOYSA-N 1 2 296.377 1.185 20 30 CDEDLO CC#CC[C@H](CO)Nc1nc(C2CC2)[nH+]c(C)c1OC ZINC000656203546 413101277 /nfs/dbraw/zinc/10/12/77/413101277.db2.gz JPXMFTHYPILPKV-GFCCVEGCSA-N 1 2 275.352 1.857 20 30 CDEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)[C@@H]1C ZINC000329706204 397654591 /nfs/dbraw/zinc/65/45/91/397654591.db2.gz JTWXTUQBGDSWRS-GMTAPVOTSA-N 1 2 262.357 1.911 20 30 CDEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@@H]1C ZINC000329706204 397654594 /nfs/dbraw/zinc/65/45/94/397654594.db2.gz JTWXTUQBGDSWRS-GMTAPVOTSA-N 1 2 262.357 1.911 20 30 CDEDLO Cc1cc(CNC(=O)c2cc(C#N)ccn2)cc(C)[nH+]1 ZINC001584184776 1172808385 /nfs/dbraw/zinc/80/83/85/1172808385.db2.gz VXEPNVVAIHHZEK-UHFFFAOYSA-N 1 2 266.304 1.895 20 30 CDEDLO N#Cc1ccc(CNC(=O)N2CCn3c[nH+]cc3C2)cc1F ZINC000335177104 150374322 /nfs/dbraw/zinc/37/43/22/150374322.db2.gz IUWHHTLOMSZUHS-UHFFFAOYSA-N 1 2 299.309 1.619 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000120945462 286191899 /nfs/dbraw/zinc/19/18/99/286191899.db2.gz JKQOWVMWMFLUFU-NSHDSACASA-N 1 2 296.392 1.432 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000120945462 286191900 /nfs/dbraw/zinc/19/19/00/286191900.db2.gz JKQOWVMWMFLUFU-NSHDSACASA-N 1 2 296.392 1.432 20 30 CDEDLO Cc1nn(C)c(N2CC[NH+](Cc3cccnc3)CC2)c1C#N ZINC000346643875 153254999 /nfs/dbraw/zinc/25/49/99/153254999.db2.gz ADXWXHIHIHSWNZ-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccon1 ZINC000349253768 154076549 /nfs/dbraw/zinc/07/65/49/154076549.db2.gz XJNXAISLEUIVDN-SNVBAGLBSA-N 1 2 270.292 1.836 20 30 CDEDLO CC[N@H+](C[C@@H](C)O)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000352220796 155032442 /nfs/dbraw/zinc/03/24/42/155032442.db2.gz JWCPDPMZYIQQOS-RISCZKNCSA-N 1 2 276.336 1.475 20 30 CDEDLO CC[N@@H+](C[C@@H](C)O)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000352220796 155032446 /nfs/dbraw/zinc/03/24/46/155032446.db2.gz JWCPDPMZYIQQOS-RISCZKNCSA-N 1 2 276.336 1.475 20 30 CDEDLO CCC[N@H+](Cc1nnnn1C)Cc1ccc(C#N)cc1 ZINC000356028561 157324610 /nfs/dbraw/zinc/32/46/10/157324610.db2.gz JTVRPLMVIZOOBN-UHFFFAOYSA-N 1 2 270.340 1.494 20 30 CDEDLO CCC[N@@H+](Cc1nnnn1C)Cc1ccc(C#N)cc1 ZINC000356028561 157324613 /nfs/dbraw/zinc/32/46/13/157324613.db2.gz JTVRPLMVIZOOBN-UHFFFAOYSA-N 1 2 270.340 1.494 20 30 CDEDLO COC(=O)c1ccc(C[NH2+]CC2(C#N)CCC2)nc1 ZINC001665027602 1172932048 /nfs/dbraw/zinc/93/20/48/1172932048.db2.gz PSZFVMDHRLZRSJ-UHFFFAOYSA-N 1 2 259.309 1.652 20 30 CDEDLO C[C@@H](C(=O)NCC[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000359839171 158394418 /nfs/dbraw/zinc/39/44/18/158394418.db2.gz ZOMRYBZLTMLEHZ-CYBMUJFWSA-N 1 2 287.363 1.110 20 30 CDEDLO COC(=O)CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000372342881 160108300 /nfs/dbraw/zinc/10/83/00/160108300.db2.gz ZXTURHSMRXMZLE-CQSZACIVSA-N 1 2 274.320 1.495 20 30 CDEDLO COC(=O)CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000372342881 160108301 /nfs/dbraw/zinc/10/83/01/160108301.db2.gz ZXTURHSMRXMZLE-CQSZACIVSA-N 1 2 274.320 1.495 20 30 CDEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000658811116 413446994 /nfs/dbraw/zinc/44/69/94/413446994.db2.gz HMVMXWLYKYZHPL-GFCCVEGCSA-N 1 2 290.367 1.183 20 30 CDEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000658811116 413447002 /nfs/dbraw/zinc/44/70/02/413447002.db2.gz HMVMXWLYKYZHPL-GFCCVEGCSA-N 1 2 290.367 1.183 20 30 CDEDLO C=CCCn1cc(CNC[C@H](c2ccco2)[NH+](C)C)nn1 ZINC000657291440 414127153 /nfs/dbraw/zinc/12/71/53/414127153.db2.gz SWFQBUUFOMYMGO-CQSZACIVSA-N 1 2 289.383 1.840 20 30 CDEDLO C=C[C@](C)(O)C(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000665542083 414253762 /nfs/dbraw/zinc/25/37/62/414253762.db2.gz WWYBFEOEZFKVOM-INIZCTEOSA-N 1 2 276.380 1.956 20 30 CDEDLO C=C[C@](C)(O)C(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000665542083 414253774 /nfs/dbraw/zinc/25/37/74/414253774.db2.gz WWYBFEOEZFKVOM-INIZCTEOSA-N 1 2 276.380 1.956 20 30 CDEDLO C=CCC1(NC(=O)N[C@H](C)C[NH+]2CCOCC2)CCCC1 ZINC000663639858 414383527 /nfs/dbraw/zinc/38/35/27/414383527.db2.gz YSQORGKEBLSNNJ-CQSZACIVSA-N 1 2 295.427 1.895 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000042242590 174663428 /nfs/dbraw/zinc/66/34/28/174663428.db2.gz KSRFJZRLENOYLE-IHRRRGAJSA-N 1 2 266.385 1.685 20 30 CDEDLO N#Cc1cc2c(nc1NCC[NH+]1CCOCC1)CCC2 ZINC000044346857 175165575 /nfs/dbraw/zinc/16/55/75/175165575.db2.gz LXGTUPQVBYJCHV-UHFFFAOYSA-N 1 2 272.352 1.186 20 30 CDEDLO Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)N(C)CCC#N)s1 ZINC000077185045 177231683 /nfs/dbraw/zinc/23/16/83/177231683.db2.gz KSNCTHADXKAEOT-SNVBAGLBSA-N 1 2 280.397 1.644 20 30 CDEDLO Cc1ncc(C[N@H+](C)[C@H](C)C(=O)N(C)CCC#N)s1 ZINC000077185045 177231685 /nfs/dbraw/zinc/23/16/85/177231685.db2.gz KSNCTHADXKAEOT-SNVBAGLBSA-N 1 2 280.397 1.644 20 30 CDEDLO CC(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000077253171 177241877 /nfs/dbraw/zinc/24/18/77/177241877.db2.gz DQIWSBGDQIJCIF-UHFFFAOYSA-N 1 2 273.336 1.253 20 30 CDEDLO C[C@@H](C#N)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000347107824 226054493 /nfs/dbraw/zinc/05/44/93/226054493.db2.gz KOADXWDFVNCSHI-NSHDSACASA-N 1 2 254.293 1.648 20 30 CDEDLO Cn1ccc(CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000329046943 227271404 /nfs/dbraw/zinc/27/14/04/227271404.db2.gz QCMHHDZRWQSTNX-GFCCVEGCSA-N 1 2 288.355 1.784 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCN(CCC#N)CC(C)(C)C ZINC000192725811 227272677 /nfs/dbraw/zinc/27/26/77/227272677.db2.gz OZAYGUIHKZOOCG-CQSZACIVSA-N 1 2 267.417 1.969 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCN(CCC#N)CC(C)(C)C ZINC000192725811 227272681 /nfs/dbraw/zinc/27/26/81/227272681.db2.gz OZAYGUIHKZOOCG-CQSZACIVSA-N 1 2 267.417 1.969 20 30 CDEDLO C[C@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H]1CCOC1 ZINC000329202927 227352628 /nfs/dbraw/zinc/35/26/28/227352628.db2.gz CLMICACOIXXXES-STQMWFEESA-N 1 2 299.415 1.026 20 30 CDEDLO C[C@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)[C@H]1CCOC1 ZINC000329273044 227399429 /nfs/dbraw/zinc/39/94/29/227399429.db2.gz ALGOFIOLOZHDER-STQMWFEESA-N 1 2 299.415 1.026 20 30 CDEDLO C[C@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)[C@H]1CCOC1 ZINC000329273044 227399434 /nfs/dbraw/zinc/39/94/34/227399434.db2.gz ALGOFIOLOZHDER-STQMWFEESA-N 1 2 299.415 1.026 20 30 CDEDLO [O-]C(N[C@H]1CC[C@H](CO)CC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330267825 228086011 /nfs/dbraw/zinc/08/60/11/228086011.db2.gz IHXLRHIMRKXBIO-JHJVBQTASA-N 1 2 292.383 1.253 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@H]1CC[C@H](CO)CC1 ZINC000330267825 228086013 /nfs/dbraw/zinc/08/60/13/228086013.db2.gz IHXLRHIMRKXBIO-JHJVBQTASA-N 1 2 292.383 1.253 20 30 CDEDLO Cc1csc2nc(C[NH2+][C@@H]3CCC[C@H]3C#N)cc(=O)n12 ZINC000332207590 228151893 /nfs/dbraw/zinc/15/18/93/228151893.db2.gz HVBHGLFVIILBAH-CMPLNLGQSA-N 1 2 288.376 1.846 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000090612161 260375215 /nfs/dbraw/zinc/37/52/15/260375215.db2.gz BYGJDVGVLZHMDI-NSHDSACASA-N 1 2 276.767 1.836 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000090612161 260375216 /nfs/dbraw/zinc/37/52/16/260375216.db2.gz BYGJDVGVLZHMDI-NSHDSACASA-N 1 2 276.767 1.836 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)CC#N ZINC000153578340 261080303 /nfs/dbraw/zinc/08/03/03/261080303.db2.gz ZFUPSMBIQCTOJN-UHFFFAOYSA-N 1 2 256.309 1.765 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000249382883 261250379 /nfs/dbraw/zinc/25/03/79/261250379.db2.gz VATSISAKLUBVDB-NWDGAFQWSA-N 1 2 262.357 1.280 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000249382883 261250381 /nfs/dbraw/zinc/25/03/81/261250381.db2.gz VATSISAKLUBVDB-NWDGAFQWSA-N 1 2 262.357 1.280 20 30 CDEDLO C#CCNC(=O)C1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000491203149 261368434 /nfs/dbraw/zinc/36/84/34/261368434.db2.gz STSAAIDHXDTDMK-DHZHZOJOSA-N 1 2 275.179 1.767 20 30 CDEDLO Cc1nc(CC(N)=[NH+]OCc2ccccn2)cs1 ZINC000180623845 261868189 /nfs/dbraw/zinc/86/81/89/261868189.db2.gz VCCDEEDPCMSBEO-UHFFFAOYSA-N 1 2 262.338 1.878 20 30 CDEDLO COCCOCCO[NH+]=C(N)c1ccc(C)c(F)c1 ZINC000183246465 261968954 /nfs/dbraw/zinc/96/89/54/261968954.db2.gz FGFNPUYMXGTJNO-UHFFFAOYSA-N 1 2 270.304 1.434 20 30 CDEDLO COC[C@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1ccc(C)o1 ZINC000184729237 262027916 /nfs/dbraw/zinc/02/79/16/262027916.db2.gz ZTKBSSXDYFKXMP-STQMWFEESA-N 1 2 293.367 1.626 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000364153375 262158548 /nfs/dbraw/zinc/15/85/48/262158548.db2.gz DIVGNAUFYRDOFC-CYBMUJFWSA-N 1 2 295.386 1.972 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000364153375 262158549 /nfs/dbraw/zinc/15/85/49/262158549.db2.gz DIVGNAUFYRDOFC-CYBMUJFWSA-N 1 2 295.386 1.972 20 30 CDEDLO Cc1cccc(OC[C@@H](O)C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000263767469 262853366 /nfs/dbraw/zinc/85/33/66/262853366.db2.gz ZDFAXFYNMIDRDL-KBPBESRZSA-N 1 2 262.353 1.826 20 30 CDEDLO Cc1cccc(OC[C@@H](O)C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000263767469 262853367 /nfs/dbraw/zinc/85/33/67/262853367.db2.gz ZDFAXFYNMIDRDL-KBPBESRZSA-N 1 2 262.353 1.826 20 30 CDEDLO Cc1nn(C)c(C)c1CNc1cc(C)[nH+]cc1C#N ZINC000399391746 269926130 /nfs/dbraw/zinc/92/61/30/269926130.db2.gz OAXVCTXASSQQAZ-UHFFFAOYSA-N 1 2 255.325 1.646 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(CC#N)cc1 ZINC000270202055 262984332 /nfs/dbraw/zinc/98/43/32/262984332.db2.gz CLDOJILFBJURSH-CYBMUJFWSA-N 1 2 287.363 1.203 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N(CCC#N)Cc1ccco1 ZINC000276676311 263037742 /nfs/dbraw/zinc/03/77/42/263037742.db2.gz ZXGZSBOAIIRFDC-UHFFFAOYSA-N 1 2 286.335 1.888 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C#N)C1CCCCC1 ZINC000279374325 263055044 /nfs/dbraw/zinc/05/50/44/263055044.db2.gz HHYSSWSMHCXVKU-CYBMUJFWSA-N 1 2 260.341 1.849 20 30 CDEDLO Cc1[nH]c[nH+]c1CC(=O)N[C@H](C#N)C1CCCCC1 ZINC000279374325 263055045 /nfs/dbraw/zinc/05/50/45/263055045.db2.gz HHYSSWSMHCXVKU-CYBMUJFWSA-N 1 2 260.341 1.849 20 30 CDEDLO CO/N=C/C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000294111265 263156279 /nfs/dbraw/zinc/15/62/79/263156279.db2.gz FVRSIZDWDNDJQW-RQZCQDPDSA-N 1 2 286.335 1.699 20 30 CDEDLO CN1C(=O)C[C@H]([NH2+]CCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000298385246 263218580 /nfs/dbraw/zinc/21/85/80/263218580.db2.gz DMYCKHYOAQCYPG-GXTWGEPZSA-N 1 2 279.290 1.740 20 30 CDEDLO CCC[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000299358378 263240661 /nfs/dbraw/zinc/24/06/61/263240661.db2.gz CKILOYSZKRATJE-LBPRGKRZSA-N 1 2 298.346 1.853 20 30 CDEDLO CCC[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000299358378 263240663 /nfs/dbraw/zinc/24/06/63/263240663.db2.gz CKILOYSZKRATJE-LBPRGKRZSA-N 1 2 298.346 1.853 20 30 CDEDLO C#CCCCCNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000121855353 263298302 /nfs/dbraw/zinc/29/83/02/263298302.db2.gz CMMBPCWDTSYUGW-UHFFFAOYSA-N 1 2 262.357 1.718 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC2CCOCC2)C1 ZINC000328857018 263881691 /nfs/dbraw/zinc/88/16/91/263881691.db2.gz KKGCHJHDIFUUAU-LLVKDONJSA-N 1 2 278.356 1.302 20 30 CDEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC000330858922 264055605 /nfs/dbraw/zinc/05/56/05/264055605.db2.gz TZVXUKDLHMWNRE-DTWKUNHWSA-N 1 2 250.327 1.363 20 30 CDEDLO CN(C)c1ccc(CNC(=O)C2=CCOCC2)c[nH+]1 ZINC000330955377 264087237 /nfs/dbraw/zinc/08/72/37/264087237.db2.gz BIYIQDDJFOAMDP-UHFFFAOYSA-N 1 2 261.325 1.951 20 30 CDEDLO CN(C)c1ccc(CNC(=O)NC[C@@]2(C)CCCO2)c[nH+]1 ZINC000331302766 264200669 /nfs/dbraw/zinc/20/06/69/264200669.db2.gz SMFWYRNWWZDDCB-OAHLLOKOSA-N 1 2 292.383 1.720 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000424856754 264233112 /nfs/dbraw/zinc/23/31/12/264233112.db2.gz QNLOIFPBRHGPAS-ZDUSSCGKSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000424856754 264233114 /nfs/dbraw/zinc/23/31/14/264233114.db2.gz QNLOIFPBRHGPAS-ZDUSSCGKSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CC[N@@H+](C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000425416740 264295297 /nfs/dbraw/zinc/29/52/97/264295297.db2.gz LTUQBPROMVFARB-STQMWFEESA-N 1 2 273.398 1.087 20 30 CDEDLO C=CC[N@H+](C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000425416740 264295299 /nfs/dbraw/zinc/29/52/99/264295299.db2.gz LTUQBPROMVFARB-STQMWFEESA-N 1 2 273.398 1.087 20 30 CDEDLO C=CCCNc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000664228283 424184648 /nfs/dbraw/zinc/18/46/48/424184648.db2.gz PKIHUDSNYPEUIW-LBPRGKRZSA-N 1 2 262.357 1.816 20 30 CDEDLO C=CCCNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000664228283 424184656 /nfs/dbraw/zinc/18/46/56/424184656.db2.gz PKIHUDSNYPEUIW-LBPRGKRZSA-N 1 2 262.357 1.816 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCSC[C@@H]2C)nn1 ZINC000653558638 424277558 /nfs/dbraw/zinc/27/75/58/424277558.db2.gz MZCKBYBGDMXHPI-NSHDSACASA-N 1 2 252.387 1.792 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCSC[C@@H]2C)nn1 ZINC000653558638 424277564 /nfs/dbraw/zinc/27/75/64/424277564.db2.gz MZCKBYBGDMXHPI-NSHDSACASA-N 1 2 252.387 1.792 20 30 CDEDLO C=CC[N@H+](CC(=O)N1CCC1)Cc1cccs1 ZINC000356452606 266117523 /nfs/dbraw/zinc/11/75/23/266117523.db2.gz AINCSBLUEOCVHC-UHFFFAOYSA-N 1 2 250.367 1.968 20 30 CDEDLO C=CC[N@@H+](CC(=O)N1CCC1)Cc1cccs1 ZINC000356452606 266117526 /nfs/dbraw/zinc/11/75/26/266117526.db2.gz AINCSBLUEOCVHC-UHFFFAOYSA-N 1 2 250.367 1.968 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C ZINC000356732854 266166239 /nfs/dbraw/zinc/16/62/39/266166239.db2.gz ALFREJQKJGWYNZ-OFQRWUPVSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C[C@H](CO)NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000356850114 266188855 /nfs/dbraw/zinc/18/88/55/266188855.db2.gz AIMXEHILLABAJP-WDEREUQCSA-N 1 2 277.368 1.301 20 30 CDEDLO C=C[C@H](CO)NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000356850114 266188856 /nfs/dbraw/zinc/18/88/56/266188856.db2.gz AIMXEHILLABAJP-WDEREUQCSA-N 1 2 277.368 1.301 20 30 CDEDLO C=CCCC1(C(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000357140809 266253965 /nfs/dbraw/zinc/25/39/65/266253965.db2.gz HAHVYWCYJAIUAK-UHFFFAOYSA-N 1 2 278.396 1.714 20 30 CDEDLO C=CC[N@H+](CC(=O)NCC(=O)c1ccccc1)C1CC1 ZINC000357551699 266321662 /nfs/dbraw/zinc/32/16/62/266321662.db2.gz KSRPDXPNVGPHIG-UHFFFAOYSA-N 1 2 272.348 1.636 20 30 CDEDLO C=CC[N@@H+](CC(=O)NCC(=O)c1ccccc1)C1CC1 ZINC000357551699 266321665 /nfs/dbraw/zinc/32/16/65/266321665.db2.gz KSRPDXPNVGPHIG-UHFFFAOYSA-N 1 2 272.348 1.636 20 30 CDEDLO COCCC[N@@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000369301807 267233711 /nfs/dbraw/zinc/23/37/11/267233711.db2.gz FOWCEYOBNWKTDR-KBPBESRZSA-N 1 2 252.358 1.950 20 30 CDEDLO COCCC[N@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000369301807 267233712 /nfs/dbraw/zinc/23/37/12/267233712.db2.gz FOWCEYOBNWKTDR-KBPBESRZSA-N 1 2 252.358 1.950 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[S@](=O)CC[C@@H]1C ZINC000370069162 267287152 /nfs/dbraw/zinc/28/71/52/267287152.db2.gz FCGBSQMPSYNSQB-ORAYPTAESA-N 1 2 286.441 1.254 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[S@](=O)CC[C@@H]1C ZINC000370069162 267287155 /nfs/dbraw/zinc/28/71/55/267287155.db2.gz FCGBSQMPSYNSQB-ORAYPTAESA-N 1 2 286.441 1.254 20 30 CDEDLO Cc1ccncc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000516232710 268066087 /nfs/dbraw/zinc/06/60/87/268066087.db2.gz VCMCAOFRCQVNOU-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CCCNc1cc(C#N)ncn1 ZINC000527379994 268080126 /nfs/dbraw/zinc/08/01/26/268080126.db2.gz BKNLMEOHOIWKNQ-UHFFFAOYSA-N 1 2 292.346 1.931 20 30 CDEDLO N#Cc1cc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)ncn1 ZINC000527384373 268183885 /nfs/dbraw/zinc/18/38/85/268183885.db2.gz IYLGIJFXDFVJLN-LLVKDONJSA-N 1 2 254.297 1.803 20 30 CDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](C#N)C1 ZINC000528562224 268297970 /nfs/dbraw/zinc/29/79/70/268297970.db2.gz VLEOYSYLHOXNSX-OCCSQVGLSA-N 1 2 271.320 1.143 20 30 CDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](C#N)C1 ZINC000528562224 268297973 /nfs/dbraw/zinc/29/79/73/268297973.db2.gz VLEOYSYLHOXNSX-OCCSQVGLSA-N 1 2 271.320 1.143 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000278700858 277908789 /nfs/dbraw/zinc/90/87/89/277908789.db2.gz BERODUOPPCRURV-SMDDNHRTSA-N 1 2 263.341 1.790 20 30 CDEDLO CC[N@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCNC1=O ZINC000282363636 279047268 /nfs/dbraw/zinc/04/72/68/279047268.db2.gz NLUJPMLLRVCIMI-CQSZACIVSA-N 1 2 260.312 1.388 20 30 CDEDLO CC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCNC1=O ZINC000282363636 279047270 /nfs/dbraw/zinc/04/72/70/279047270.db2.gz NLUJPMLLRVCIMI-CQSZACIVSA-N 1 2 260.312 1.388 20 30 CDEDLO C[C@H]1CCN(C(=O)c2ccc(C#N)cn2)C[C@H]1n1cc[nH+]c1 ZINC000126004181 279482330 /nfs/dbraw/zinc/48/23/30/279482330.db2.gz GSSJJRWXVSUVTK-SWLSCSKDSA-N 1 2 295.346 1.873 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347397249 280103166 /nfs/dbraw/zinc/10/31/66/280103166.db2.gz YZRXOOPMISGCCK-MRVWCRGKSA-N 1 2 269.364 1.863 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(F)C1 ZINC000347397249 280103169 /nfs/dbraw/zinc/10/31/69/280103169.db2.gz YZRXOOPMISGCCK-MRVWCRGKSA-N 1 2 269.364 1.863 20 30 CDEDLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1cc(C#N)cs1 ZINC000093055497 289055822 /nfs/dbraw/zinc/05/58/22/289055822.db2.gz USEWCYZCNSHTQK-LBPRGKRZSA-N 1 2 263.366 1.576 20 30 CDEDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000093055497 289055827 /nfs/dbraw/zinc/05/58/27/289055827.db2.gz USEWCYZCNSHTQK-LBPRGKRZSA-N 1 2 263.366 1.576 20 30 CDEDLO C[C@H](CC(=O)Nc1nc(C#N)c(C#N)[nH]1)[C@H]1CCC[NH2+]C1 ZINC000563099618 293273847 /nfs/dbraw/zinc/27/38/47/293273847.db2.gz JVOWPYFWKDEWTF-ZJUUUORDSA-N 1 2 286.339 1.117 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000564667774 293391663 /nfs/dbraw/zinc/39/16/63/293391663.db2.gz XBITXJMXTMTYEB-CYBMUJFWSA-N 1 2 293.392 1.210 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000564667774 293391664 /nfs/dbraw/zinc/39/16/64/293391664.db2.gz XBITXJMXTMTYEB-CYBMUJFWSA-N 1 2 293.392 1.210 20 30 CDEDLO N#Cc1cc(NCc2cc[nH+]c(N3CCCC3)c2)ncn1 ZINC000572940277 294719524 /nfs/dbraw/zinc/71/95/24/294719524.db2.gz RIIFETKILHTPST-UHFFFAOYSA-N 1 2 280.335 1.377 20 30 CDEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(C(=O)c3ccco3)CC2)C1 ZINC000335881299 294822135 /nfs/dbraw/zinc/82/21/35/294822135.db2.gz RWTSZTWKBGSGOO-CHWSQXEVSA-N 1 2 273.336 1.730 20 30 CDEDLO CSCc1cccnc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000570970717 327966980 /nfs/dbraw/zinc/96/69/80/327966980.db2.gz QINGMCIGIOJZSH-CQSZACIVSA-N 1 2 292.408 1.518 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCOC3(CCOCC3)C2)nc1 ZINC000563350496 316261593 /nfs/dbraw/zinc/26/15/93/316261593.db2.gz OQCNBDXWYLQKHN-UHFFFAOYSA-N 1 2 273.336 1.335 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCOC3(CCOCC3)C2)nc1 ZINC000563350496 316261595 /nfs/dbraw/zinc/26/15/95/316261595.db2.gz OQCNBDXWYLQKHN-UHFFFAOYSA-N 1 2 273.336 1.335 20 30 CDEDLO Cc1cc(NCc2nnc3n2CCCCC3)c(C#N)c[nH+]1 ZINC000566135899 316488657 /nfs/dbraw/zinc/48/86/57/316488657.db2.gz NPEAQFAWAGGEJP-UHFFFAOYSA-N 1 2 282.351 1.614 20 30 CDEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000571138896 328087882 /nfs/dbraw/zinc/08/78/82/328087882.db2.gz NUYMWGUBJMQBGM-CQSZACIVSA-N 1 2 290.323 1.477 20 30 CDEDLO C[C@@H]1CCC[C@@H](OCC(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000571407986 328119718 /nfs/dbraw/zinc/11/97/18/328119718.db2.gz JIGABDCJJRTBBP-NFAWXSAZSA-N 1 2 281.400 1.542 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCOC2(CCCCC2)C1 ZINC000173849744 329152215 /nfs/dbraw/zinc/15/22/15/329152215.db2.gz SVGAUHWIKKFUJE-CYBMUJFWSA-N 1 2 264.369 1.159 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCOC2(CCCCC2)C1 ZINC000173849744 329152217 /nfs/dbraw/zinc/15/22/17/329152217.db2.gz SVGAUHWIKKFUJE-CYBMUJFWSA-N 1 2 264.369 1.159 20 30 CDEDLO N#CCOc1ccc(CNC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000287463861 328251288 /nfs/dbraw/zinc/25/12/88/328251288.db2.gz BVFQFLGBKOEJSB-UHFFFAOYSA-N 1 2 284.319 1.561 20 30 CDEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COc1ccccc1 ZINC000292176554 328268417 /nfs/dbraw/zinc/26/84/17/328268417.db2.gz MEKBTXPFMQPFBJ-AWEZNQCLSA-N 1 2 260.337 1.828 20 30 CDEDLO C=CC[N@H+](CCC#N)C[C@H](O)COc1ccccc1 ZINC000292176554 328268418 /nfs/dbraw/zinc/26/84/18/328268418.db2.gz MEKBTXPFMQPFBJ-AWEZNQCLSA-N 1 2 260.337 1.828 20 30 CDEDLO N#Cc1cc(C(=O)NCc2ccn3cc[nH+]c3c2)c[nH]1 ZINC000181348426 323233936 /nfs/dbraw/zinc/23/39/36/323233936.db2.gz JNQJEHYXOLHJBG-UHFFFAOYSA-N 1 2 265.276 1.464 20 30 CDEDLO CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cn2)CC1 ZINC000579307391 324151097 /nfs/dbraw/zinc/15/10/97/324151097.db2.gz ORMDXMFMDSBMHM-UHFFFAOYSA-N 1 2 258.325 1.007 20 30 CDEDLO CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cn2)CC1 ZINC000579307391 324151100 /nfs/dbraw/zinc/15/11/00/324151100.db2.gz ORMDXMFMDSBMHM-UHFFFAOYSA-N 1 2 258.325 1.007 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000563851662 328525730 /nfs/dbraw/zinc/52/57/30/328525730.db2.gz SRRCXYSADNGFOY-KGLIPLIRSA-N 1 2 275.352 1.841 20 30 CDEDLO C[C@@H](C#N)C[NH2+]Cc1csc(-c2cnn(C)c2)n1 ZINC000529540827 328549256 /nfs/dbraw/zinc/54/92/56/328549256.db2.gz JOEJQWWSXVGMIJ-VIFPVBQESA-N 1 2 261.354 1.793 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc2c1CCO2 ZINC000576272640 327026943 /nfs/dbraw/zinc/02/69/43/327026943.db2.gz AEHTVCBUPXQYBG-LBPRGKRZSA-N 1 2 275.352 1.240 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc2c1CCO2 ZINC000576272640 327026945 /nfs/dbraw/zinc/02/69/45/327026945.db2.gz AEHTVCBUPXQYBG-LBPRGKRZSA-N 1 2 275.352 1.240 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1c(F)cccc1F ZINC000558899166 327130330 /nfs/dbraw/zinc/13/03/30/327130330.db2.gz QQXDVCLMUYDZHP-ZDUSSCGKSA-N 1 2 267.279 1.538 20 30 CDEDLO CCOC(=O)N1CCC[N@H+](C[C@@H](C#N)CCC#N)CC1 ZINC000171988690 329082882 /nfs/dbraw/zinc/08/28/82/329082882.db2.gz VOVJYDLLZHQIRX-CYBMUJFWSA-N 1 2 278.356 1.594 20 30 CDEDLO CCOC(=O)N1CCC[N@@H+](C[C@@H](C#N)CCC#N)CC1 ZINC000171988690 329082883 /nfs/dbraw/zinc/08/28/83/329082883.db2.gz VOVJYDLLZHQIRX-CYBMUJFWSA-N 1 2 278.356 1.594 20 30 CDEDLO CCC(CC)n1nccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000582549608 329105988 /nfs/dbraw/zinc/10/59/88/329105988.db2.gz HDHVPSFTFMGJHH-HNNXBMFYSA-N 1 2 291.399 1.818 20 30 CDEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nn1C(F)F ZINC000582730459 329132033 /nfs/dbraw/zinc/13/20/33/329132033.db2.gz KOHOMHQRAUQVDJ-LBPRGKRZSA-N 1 2 285.298 1.160 20 30 CDEDLO C#CCCCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000178786771 329200653 /nfs/dbraw/zinc/20/06/53/329200653.db2.gz LNCXSXAZVGPLNQ-CYBMUJFWSA-N 1 2 272.352 1.373 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)C[C@H]1CN(c2ccccc2)CCO1 ZINC000583031822 329305175 /nfs/dbraw/zinc/30/51/75/329305175.db2.gz DYPGPPRLXYAGNA-HOCLYGCPSA-N 1 2 273.380 1.983 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H]1CN(c2ccccc2)CCO1 ZINC000583031822 329305177 /nfs/dbraw/zinc/30/51/77/329305177.db2.gz DYPGPPRLXYAGNA-HOCLYGCPSA-N 1 2 273.380 1.983 20 30 CDEDLO C[C@H](CC#N)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000188995647 329374622 /nfs/dbraw/zinc/37/46/22/329374622.db2.gz NWTDZVMDCFUUIA-YPMHNXCESA-N 1 2 265.357 1.048 20 30 CDEDLO C[C@H](CC#N)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000188995647 329374624 /nfs/dbraw/zinc/37/46/24/329374624.db2.gz NWTDZVMDCFUUIA-YPMHNXCESA-N 1 2 265.357 1.048 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000572361025 330001843 /nfs/dbraw/zinc/00/18/43/330001843.db2.gz YWIUTTOPUYDENP-UKRRQHHQSA-N 1 2 293.411 1.495 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000572361025 330001845 /nfs/dbraw/zinc/00/18/45/330001845.db2.gz YWIUTTOPUYDENP-UKRRQHHQSA-N 1 2 293.411 1.495 20 30 CDEDLO C=CC[NH+](CC=C)CC(=O)N[C@@H](C(C)=O)C(C)C ZINC000533239574 330354501 /nfs/dbraw/zinc/35/45/01/330354501.db2.gz CNTNDAXGFSFALI-CQSZACIVSA-N 1 2 252.358 1.390 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000424582401 330387599 /nfs/dbraw/zinc/38/75/99/330387599.db2.gz JEJYNCDBCDSBKY-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000424582401 330387600 /nfs/dbraw/zinc/38/76/00/330387600.db2.gz JEJYNCDBCDSBKY-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000121271713 330398968 /nfs/dbraw/zinc/39/89/68/330398968.db2.gz ZDYCVLJICYUBNV-UHFFFAOYSA-N 1 2 262.269 1.386 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000121271713 330398969 /nfs/dbraw/zinc/39/89/69/330398969.db2.gz ZDYCVLJICYUBNV-UHFFFAOYSA-N 1 2 262.269 1.386 20 30 CDEDLO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](C#N)CCC#N)s1 ZINC000516037236 330486089 /nfs/dbraw/zinc/48/60/89/330486089.db2.gz AAZWLKFLBZEDAC-SNVBAGLBSA-N 1 2 297.405 1.685 20 30 CDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000449896012 330953885 /nfs/dbraw/zinc/95/38/85/330953885.db2.gz OUDMNOXLURVZCQ-PXAZEXFGSA-N 1 2 294.358 1.735 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000452949508 331081660 /nfs/dbraw/zinc/08/16/60/331081660.db2.gz KSQUPUMBCGNSGO-NEPJUHHUSA-N 1 2 288.338 1.423 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccncc1C ZINC001690939056 1175618913 /nfs/dbraw/zinc/61/89/13/1175618913.db2.gz UIECUWQUBZDERT-UHFFFAOYSA-N 1 2 267.760 1.804 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccncc1C ZINC001690939056 1175618917 /nfs/dbraw/zinc/61/89/17/1175618917.db2.gz UIECUWQUBZDERT-UHFFFAOYSA-N 1 2 267.760 1.804 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456210686 331186593 /nfs/dbraw/zinc/18/65/93/331186593.db2.gz ZGPVZWGUHKRYCZ-TXEJJXNPSA-N 1 2 252.358 1.178 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456210686 331186594 /nfs/dbraw/zinc/18/65/94/331186594.db2.gz ZGPVZWGUHKRYCZ-TXEJJXNPSA-N 1 2 252.358 1.178 20 30 CDEDLO C=CCC[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C(=O)OCC ZINC000456615900 331196946 /nfs/dbraw/zinc/19/69/46/331196946.db2.gz XEBHMPKYRHUHRX-LLVKDONJSA-N 1 2 279.340 1.356 20 30 CDEDLO C[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)C1CCC1 ZINC000457522315 331225714 /nfs/dbraw/zinc/22/57/14/331225714.db2.gz YZAQIMHWQUQHSE-CQSZACIVSA-N 1 2 293.411 1.497 20 30 CDEDLO CC#CCN(C)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000458761353 331259286 /nfs/dbraw/zinc/25/92/86/331259286.db2.gz HJYRQUVCFLMNJN-GFCCVEGCSA-N 1 2 260.341 1.536 20 30 CDEDLO C=CCC(C)(C)CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000458812829 331260997 /nfs/dbraw/zinc/26/09/97/331260997.db2.gz RIRNONPJPSLDJL-AWEZNQCLSA-N 1 2 297.443 1.951 20 30 CDEDLO C=CC(C)(C)CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000458990603 331264538 /nfs/dbraw/zinc/26/45/38/331264538.db2.gz RPOPDCAXTUFFKO-AWEZNQCLSA-N 1 2 295.427 1.705 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccn(C)n1 ZINC000459782974 331300800 /nfs/dbraw/zinc/30/08/00/331300800.db2.gz HTEHUKQRIASZOC-TYNCELHUSA-N 1 2 291.399 1.514 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cc(C)c(C(=O)OC)o1 ZINC000490695175 332105328 /nfs/dbraw/zinc/10/53/28/332105328.db2.gz CAFYFWPZFLKNOB-UHFFFAOYSA-N 1 2 259.305 1.833 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cc(C)c(C(=O)OC)o1 ZINC000490695175 332105330 /nfs/dbraw/zinc/10/53/30/332105330.db2.gz CAFYFWPZFLKNOB-UHFFFAOYSA-N 1 2 259.305 1.833 20 30 CDEDLO C#C[C@H](CCC)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000491220558 332168661 /nfs/dbraw/zinc/16/86/61/332168661.db2.gz OMTCEKHRTNRWLN-ZNMIVQPWSA-N 1 2 293.411 1.293 20 30 CDEDLO C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000491241504 332172545 /nfs/dbraw/zinc/17/25/45/332172545.db2.gz JTWOAHQQVZGZKC-NSHDSACASA-N 1 2 259.309 1.165 20 30 CDEDLO C#CCn1ccc(CN(CC)Cc2c[nH+]cn2CC)n1 ZINC000491267250 332177680 /nfs/dbraw/zinc/17/76/80/332177680.db2.gz SIEBHSYIIUWJMO-UHFFFAOYSA-N 1 2 271.368 1.755 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](Cc1ccccc1)OC ZINC000491371551 332198864 /nfs/dbraw/zinc/19/88/64/332198864.db2.gz FLIPZPDYDAFTJS-HZPDHXFCSA-N 1 2 259.349 1.578 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](Cc1ccccc1)OC ZINC000491371551 332198866 /nfs/dbraw/zinc/19/88/66/332198866.db2.gz FLIPZPDYDAFTJS-HZPDHXFCSA-N 1 2 259.349 1.578 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)N1CCc2ccccc2C1 ZINC000491461429 332215737 /nfs/dbraw/zinc/21/57/37/332215737.db2.gz DVSYDHFTGIUCOE-QGZVFWFLSA-N 1 2 298.386 1.295 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)N1CCc2ccccc2C1 ZINC000491461429 332215738 /nfs/dbraw/zinc/21/57/38/332215738.db2.gz DVSYDHFTGIUCOE-QGZVFWFLSA-N 1 2 298.386 1.295 20 30 CDEDLO C#C[C@@H](C)N(C)c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000491503340 332224094 /nfs/dbraw/zinc/22/40/94/332224094.db2.gz BWEZNTPGLLGGBE-OLZOCXBDSA-N 1 2 274.368 1.286 20 30 CDEDLO C#C[C@@H](C)N(C)c1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000491503340 332224095 /nfs/dbraw/zinc/22/40/95/332224095.db2.gz BWEZNTPGLLGGBE-OLZOCXBDSA-N 1 2 274.368 1.286 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000491615261 332242776 /nfs/dbraw/zinc/24/27/76/332242776.db2.gz CEJVELHTFQMLOJ-UKRRQHHQSA-N 1 2 284.359 1.515 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000491615261 332242777 /nfs/dbraw/zinc/24/27/77/332242777.db2.gz CEJVELHTFQMLOJ-UKRRQHHQSA-N 1 2 284.359 1.515 20 30 CDEDLO C#C[C@H](CC)NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000491625734 332249273 /nfs/dbraw/zinc/24/92/73/332249273.db2.gz HXIKWODJWKEASA-OAHLLOKOSA-N 1 2 286.379 1.321 20 30 CDEDLO C#C[C@H](NC(=O)NCc1ccc[nH+]c1N(C)C)C(C)(C)C ZINC000491663678 332272792 /nfs/dbraw/zinc/27/27/92/332272792.db2.gz NNKCKGQXWJATDY-ZDUSSCGKSA-N 1 2 288.395 1.995 20 30 CDEDLO C#C[C@@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C(C)C ZINC000491679161 332283424 /nfs/dbraw/zinc/28/34/24/332283424.db2.gz WVMZGIVRFKTBBB-CYBMUJFWSA-N 1 2 274.368 1.957 20 30 CDEDLO C#C[C@@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C(C)C ZINC000491679161 332283425 /nfs/dbraw/zinc/28/34/25/332283425.db2.gz WVMZGIVRFKTBBB-CYBMUJFWSA-N 1 2 274.368 1.957 20 30 CDEDLO C#C[C@H](CC)NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000491699920 332294575 /nfs/dbraw/zinc/29/45/75/332294575.db2.gz JUOBHJKDMKSMLL-NXEZZACHSA-N 1 2 287.285 1.984 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000491711411 332302799 /nfs/dbraw/zinc/30/27/99/332302799.db2.gz WMHIALQQNSVIBS-DYVFJYSZSA-N 1 2 299.374 1.755 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000491711411 332302801 /nfs/dbraw/zinc/30/28/01/332302801.db2.gz WMHIALQQNSVIBS-DYVFJYSZSA-N 1 2 299.374 1.755 20 30 CDEDLO C#CC[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000491714900 332305171 /nfs/dbraw/zinc/30/51/71/332305171.db2.gz OEBDDGKJEHSRAX-UHFFFAOYSA-N 1 2 296.330 1.898 20 30 CDEDLO C#CC[N@@H+](CC)Cc1cnnn1Cc1ccccc1 ZINC000491735363 332315904 /nfs/dbraw/zinc/31/59/04/332315904.db2.gz MDZBAOLNHASPMR-UHFFFAOYSA-N 1 2 254.337 1.782 20 30 CDEDLO C#CC[N@H+](CC)Cc1cnnn1Cc1ccccc1 ZINC000491735363 332315905 /nfs/dbraw/zinc/31/59/05/332315905.db2.gz MDZBAOLNHASPMR-UHFFFAOYSA-N 1 2 254.337 1.782 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H]2CCCCO2)n1 ZINC000491746727 332324363 /nfs/dbraw/zinc/32/43/63/332324363.db2.gz QRKMCGDIUOUOEI-MRXNPFEDSA-N 1 2 291.395 1.534 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H]2CCCCO2)n1 ZINC000491746727 332324364 /nfs/dbraw/zinc/32/43/64/332324364.db2.gz QRKMCGDIUOUOEI-MRXNPFEDSA-N 1 2 291.395 1.534 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cc1cnnn1Cc1ccccc1 ZINC000491820557 332370126 /nfs/dbraw/zinc/37/01/26/332370126.db2.gz XZUFEIUNBQOGCT-ZDUSSCGKSA-N 1 2 254.337 1.780 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cc1cnnn1Cc1ccccc1 ZINC000491820557 332370128 /nfs/dbraw/zinc/37/01/28/332370128.db2.gz XZUFEIUNBQOGCT-ZDUSSCGKSA-N 1 2 254.337 1.780 20 30 CDEDLO O=C(C=Cc1c[nH]c[nH+]1)NCC#Cc1ccccc1 ZINC000492809521 332414575 /nfs/dbraw/zinc/41/45/75/332414575.db2.gz GCPPRUSWMKEZMI-CMDGGOBGSA-N 1 2 251.289 1.591 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1cscn1 ZINC000493313958 332434979 /nfs/dbraw/zinc/43/49/79/332434979.db2.gz CLAZYUMALSRITA-RXNFCKPNSA-N 1 2 264.354 1.116 20 30 CDEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@]1(C#N)CC1(C)C ZINC000493363306 332437191 /nfs/dbraw/zinc/43/71/91/332437191.db2.gz BYBRQMGJWMTFOV-GEXIGZQTSA-N 1 2 258.325 1.725 20 30 CDEDLO Cc1ccncc1/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000493533266 332443903 /nfs/dbraw/zinc/44/39/03/332443903.db2.gz WEMAZOWBNYNLHG-LLYBFZRZSA-N 1 2 272.352 1.363 20 30 CDEDLO C#CCNC(=O)[C@H](C)O[NH+]=C(N)c1cccc(Cl)c1 ZINC000178133137 333068364 /nfs/dbraw/zinc/06/83/64/333068364.db2.gz CDXAWZRHNRXWEB-VIFPVBQESA-N 1 2 279.727 1.115 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000192228907 333233036 /nfs/dbraw/zinc/23/30/36/333233036.db2.gz MCJSSOXTSQQIKD-UHFFFAOYSA-N 1 2 289.354 1.039 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000192228907 333233037 /nfs/dbraw/zinc/23/30/37/333233037.db2.gz MCJSSOXTSQQIKD-UHFFFAOYSA-N 1 2 289.354 1.039 20 30 CDEDLO N#CCCCCS(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000540471432 333731233 /nfs/dbraw/zinc/73/12/33/333731233.db2.gz IHJWIDWQQNJQJU-UHFFFAOYSA-N 1 2 284.385 1.277 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCCc1c[nH+]cn1C ZINC000542480422 333826827 /nfs/dbraw/zinc/82/68/27/333826827.db2.gz BSHAZHZWWAKJQG-NSHDSACASA-N 1 2 251.330 1.060 20 30 CDEDLO CN1CC[N@H+](C)C[C@H]1c1noc(C2(C#N)CCCCC2)n1 ZINC000545789238 334000754 /nfs/dbraw/zinc/00/07/54/334000754.db2.gz WCZNMXFGIADGPY-LBPRGKRZSA-N 1 2 289.383 1.713 20 30 CDEDLO CN1CC[N@@H+](C)C[C@H]1c1noc(C2(C#N)CCCCC2)n1 ZINC000545789238 334000755 /nfs/dbraw/zinc/00/07/55/334000755.db2.gz WCZNMXFGIADGPY-LBPRGKRZSA-N 1 2 289.383 1.713 20 30 CDEDLO CC[C@@]1(C)C[C@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000134223395 334084763 /nfs/dbraw/zinc/08/47/63/334084763.db2.gz VTUIBIRMJIRWCF-HOCLYGCPSA-N 1 2 293.411 1.497 20 30 CDEDLO C=CCNC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135231348 334120447 /nfs/dbraw/zinc/12/04/47/334120447.db2.gz LYQSTSILTGUGSZ-UHFFFAOYSA-N 1 2 289.335 1.861 20 30 CDEDLO C=CCNC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135231348 334120448 /nfs/dbraw/zinc/12/04/48/334120448.db2.gz LYQSTSILTGUGSZ-UHFFFAOYSA-N 1 2 289.335 1.861 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCc2ccccc2C1 ZINC000568888830 334845439 /nfs/dbraw/zinc/84/54/39/334845439.db2.gz FUVXLZJWVIFARN-NVXWUHKLSA-N 1 2 285.391 1.752 20 30 CDEDLO N#CCSCC(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000573140315 334912341 /nfs/dbraw/zinc/91/23/41/334912341.db2.gz JZZAMBLBBNNXCH-UHFFFAOYSA-N 1 2 291.367 1.336 20 30 CDEDLO CC[C@@H](C#N)NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000576765448 335245506 /nfs/dbraw/zinc/24/55/06/335245506.db2.gz OEWILNMBMMVGKO-IUCAKERBSA-N 1 2 288.273 1.874 20 30 CDEDLO CC[C@@H]1C[C@@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)CCO1 ZINC000577223664 335325884 /nfs/dbraw/zinc/32/58/84/335325884.db2.gz IBMWIJZEDBVVMI-GZBFAFLISA-N 1 2 281.400 1.542 20 30 CDEDLO COC(=O)c1ccsc1N1CC[C@@H]([NH2+]CCC#N)C1=O ZINC000579943117 335933121 /nfs/dbraw/zinc/93/31/21/335933121.db2.gz BFEZQCPODUBDAB-SNVBAGLBSA-N 1 2 293.348 1.143 20 30 CDEDLO COCC#CC[NH+]1CCN([C@H](C)C(F)(F)F)CC1 ZINC000677820750 482302388 /nfs/dbraw/zinc/30/23/88/482302388.db2.gz VKAGSAYKFFTYPW-LLVKDONJSA-N 1 2 264.291 1.205 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000675499862 482461215 /nfs/dbraw/zinc/46/12/15/482461215.db2.gz ZUMKVJDHDBQVQN-OUAUKWLOSA-N 1 2 267.291 1.965 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000675499862 482461216 /nfs/dbraw/zinc/46/12/16/482461216.db2.gz ZUMKVJDHDBQVQN-OUAUKWLOSA-N 1 2 267.291 1.965 20 30 CDEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000681453909 482852160 /nfs/dbraw/zinc/85/21/60/482852160.db2.gz YYCLZEXAHGVCSA-ZDUSSCGKSA-N 1 2 265.401 1.914 20 30 CDEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccon1 ZINC000679329374 483241811 /nfs/dbraw/zinc/24/18/11/483241811.db2.gz QDDSOUTWPRHXGN-UHFFFAOYSA-N 1 2 275.308 1.937 20 30 CDEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccon1 ZINC000679329374 483241818 /nfs/dbraw/zinc/24/18/18/483241818.db2.gz QDDSOUTWPRHXGN-UHFFFAOYSA-N 1 2 275.308 1.937 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1Cl ZINC001085568834 1161947861 /nfs/dbraw/zinc/94/78/61/1161947861.db2.gz SNAWPQYZLJSAPE-JTQLQIEISA-N 1 2 266.728 1.713 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1Cl ZINC001085568834 1161947864 /nfs/dbraw/zinc/94/78/64/1161947864.db2.gz SNAWPQYZLJSAPE-JTQLQIEISA-N 1 2 266.728 1.713 20 30 CDEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)CC#N)c1 ZINC000336030721 534240337 /nfs/dbraw/zinc/24/03/37/534240337.db2.gz XUAHHBVTUZFHLA-UHFFFAOYSA-N 1 2 254.293 1.776 20 30 CDEDLO COC(=O)c1coc(C[NH+]2CCC(F)(C#N)CC2)c1 ZINC000352491952 534314807 /nfs/dbraw/zinc/31/48/07/534314807.db2.gz UBMNVICKYSCIMW-UHFFFAOYSA-N 1 2 266.272 1.894 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000069537787 518271274 /nfs/dbraw/zinc/27/12/74/518271274.db2.gz LLOYGURXWYLVIL-CYBMUJFWSA-N 1 2 296.367 1.202 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000069537787 518271278 /nfs/dbraw/zinc/27/12/78/518271278.db2.gz LLOYGURXWYLVIL-CYBMUJFWSA-N 1 2 296.367 1.202 20 30 CDEDLO Cn1nnnc1C[NH2+]C(C)(C)C(=O)NCC1CCCCC1 ZINC000329193509 534370485 /nfs/dbraw/zinc/37/04/85/534370485.db2.gz RMIXEXOOZXOFEI-UHFFFAOYSA-N 1 2 294.403 1.615 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)C2(C(C)C)CC2)CC1 ZINC001113320430 1162154000 /nfs/dbraw/zinc/15/40/00/1162154000.db2.gz CJMYQKHXAVUDSG-UHFFFAOYSA-N 1 2 280.412 1.769 20 30 CDEDLO Cc1nc(N2CCC[C@H]2C(=O)NC2CC2)nc(N(C)C)[nH+]1 ZINC000330169149 534436297 /nfs/dbraw/zinc/43/62/97/534436297.db2.gz BGGJZNQDTRHUAS-NSHDSACASA-N 1 2 290.371 1.334 20 30 CDEDLO Cc1nc(N(C)C)nc(N2CCC[C@H]2C(=O)NC2CC2)[nH+]1 ZINC000330169149 534436301 /nfs/dbraw/zinc/43/63/01/534436301.db2.gz BGGJZNQDTRHUAS-NSHDSACASA-N 1 2 290.371 1.334 20 30 CDEDLO Cc1nc(NCC2([NH+]3CCOCC3)CC2)ccc1C#N ZINC000291813251 534486491 /nfs/dbraw/zinc/48/64/91/534486491.db2.gz FNFSXIJXSCHXPS-UHFFFAOYSA-N 1 2 272.352 1.538 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](CCO)CC2)c(Cl)c1 ZINC000062791502 526645472 /nfs/dbraw/zinc/64/54/72/526645472.db2.gz LAZNHJIMDJOUCY-UHFFFAOYSA-N 1 2 265.744 1.326 20 30 CDEDLO C=CC[C@H](CC)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000350464824 527158081 /nfs/dbraw/zinc/15/80/81/527158081.db2.gz XTRLLFMSIKHKHN-RYUDHWBXSA-N 1 2 262.357 1.852 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000347667341 527396580 /nfs/dbraw/zinc/39/65/80/527396580.db2.gz FRVWBVKYGVMSFU-KGLIPLIRSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000347667341 527396584 /nfs/dbraw/zinc/39/65/84/527396584.db2.gz FRVWBVKYGVMSFU-KGLIPLIRSA-N 1 2 284.400 1.195 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@]1(C)CCCOC1 ZINC000329143879 529131191 /nfs/dbraw/zinc/13/11/91/529131191.db2.gz MMJORGZKMMQBTD-OAHLLOKOSA-N 1 2 299.415 1.170 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)N[C@]1(C)CCCOC1 ZINC000329143879 529131193 /nfs/dbraw/zinc/13/11/93/529131193.db2.gz MMJORGZKMMQBTD-OAHLLOKOSA-N 1 2 299.415 1.170 20 30 CDEDLO COCCCNC(=O)C[N@H+](C)Cc1ccc(C#N)s1 ZINC000121455951 536560127 /nfs/dbraw/zinc/56/01/27/536560127.db2.gz JXLSCYRLAAAXSZ-UHFFFAOYSA-N 1 2 281.381 1.204 20 30 CDEDLO COCCCNC(=O)C[N@@H+](C)Cc1ccc(C#N)s1 ZINC000121455951 536560134 /nfs/dbraw/zinc/56/01/34/536560134.db2.gz JXLSCYRLAAAXSZ-UHFFFAOYSA-N 1 2 281.381 1.204 20 30 CDEDLO N#CCCCCNc1[nH+]c2c(cc1-c1nn[nH]n1)CCC2 ZINC000737688486 574437179 /nfs/dbraw/zinc/43/71/79/574437179.db2.gz UNJSZUWZYVOJLD-UHFFFAOYSA-N 1 2 283.339 1.856 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745082746 574453584 /nfs/dbraw/zinc/45/35/84/574453584.db2.gz QVTRBNIBLOIKIC-ZIAGYGMSSA-N 1 2 296.411 1.827 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@H+]1C ZINC000745082746 574453585 /nfs/dbraw/zinc/45/35/85/574453585.db2.gz QVTRBNIBLOIKIC-ZIAGYGMSSA-N 1 2 296.411 1.827 20 30 CDEDLO C=CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)C(C)C ZINC000729623613 574818316 /nfs/dbraw/zinc/81/83/16/574818316.db2.gz MLWSMSXKNMCMBG-ZIAGYGMSSA-N 1 2 283.416 1.702 20 30 CDEDLO C(=NNc1cc[nH+]c2ccccc12)c1csnn1 ZINC000730147308 574853659 /nfs/dbraw/zinc/85/36/59/574853659.db2.gz BFINRTWSRPLWCD-UHFFFAOYSA-N 1 2 255.306 1.954 20 30 CDEDLO O=C1CCCCN1CCC/[NH+]=C/c1ccc(O)c(O)c1O ZINC000730147727 574853757 /nfs/dbraw/zinc/85/37/57/574853757.db2.gz RNYNASRZIFCXGS-MHWRWJLKSA-N 1 2 292.335 1.625 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc(C)c(C)s1 ZINC000730274378 574907575 /nfs/dbraw/zinc/90/75/75/574907575.db2.gz IXEUXMUBWMHVEB-NSHDSACASA-N 1 2 263.366 1.796 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc(C)c(C)s1 ZINC000730274378 574907577 /nfs/dbraw/zinc/90/75/77/574907577.db2.gz IXEUXMUBWMHVEB-NSHDSACASA-N 1 2 263.366 1.796 20 30 CDEDLO C[NH+]1CCC(C#N)(NC(=O)C2=CC(=O)CS2)CC1 ZINC000732270428 575085372 /nfs/dbraw/zinc/08/53/72/575085372.db2.gz CFZFGNUZVLDAID-UHFFFAOYSA-N 1 2 265.338 1.171 20 30 CDEDLO C[C@@H]1CCCC[C@H]1NC(=S)NN=Cc1c[nH+]cn1C ZINC000755518433 575155251 /nfs/dbraw/zinc/15/52/51/575155251.db2.gz BICMJYCXNFROJL-ZYHUDNBSSA-N 1 2 279.413 1.797 20 30 CDEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)[C@@H](C#N)c1ccncn1 ZINC000774414752 575203645 /nfs/dbraw/zinc/20/36/45/575203645.db2.gz JQDMWPICGNOLID-WCQYABFASA-N 1 2 258.325 1.527 20 30 CDEDLO CC[N@H+]1CCCC[C@@H]1C(=O)[C@@H](C#N)c1ccncn1 ZINC000774414752 575203646 /nfs/dbraw/zinc/20/36/46/575203646.db2.gz JQDMWPICGNOLID-WCQYABFASA-N 1 2 258.325 1.527 20 30 CDEDLO O=C1CCCN1[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000769592313 575362448 /nfs/dbraw/zinc/36/24/48/575362448.db2.gz FUOUBANTNWYOAC-UHFFFAOYSA-N 1 2 273.336 1.480 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cc1cn(Cc2ccccc2)nn1 ZINC000769960738 575403423 /nfs/dbraw/zinc/40/34/23/575403423.db2.gz HHIOWNOYAXIFLM-CYBMUJFWSA-N 1 2 254.337 1.780 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cn(Cc2ccccc2)nn1 ZINC000769960738 575403425 /nfs/dbraw/zinc/40/34/25/575403425.db2.gz HHIOWNOYAXIFLM-CYBMUJFWSA-N 1 2 254.337 1.780 20 30 CDEDLO C[C@@H](C#N)CNN=Cc1ccc(C=[NH+]NC[C@H](C)C#N)cc1 ZINC000771106431 575550010 /nfs/dbraw/zinc/55/00/10/575550010.db2.gz DJVOMBARGNTIQN-OKILXGFUSA-N 1 2 296.378 1.853 20 30 CDEDLO C[C@@H](C#N)CN[NH+]=Cc1ccc(C=NNC[C@H](C)C#N)cc1 ZINC000771106431 575550012 /nfs/dbraw/zinc/55/00/12/575550012.db2.gz DJVOMBARGNTIQN-OKILXGFUSA-N 1 2 296.378 1.853 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)N[C@@](C)(C(C)C)C1=O)C1CC1 ZINC000771640774 575599789 /nfs/dbraw/zinc/59/97/89/575599789.db2.gz JVSIYCTVUKIZHO-AWEZNQCLSA-N 1 2 265.357 1.561 20 30 CDEDLO C=CC[N@H+](CN1C(=O)N[C@@](C)(C(C)C)C1=O)C1CC1 ZINC000771640774 575599790 /nfs/dbraw/zinc/59/97/90/575599790.db2.gz JVSIYCTVUKIZHO-AWEZNQCLSA-N 1 2 265.357 1.561 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)COc1cccc(C#N)c1 ZINC000773846398 575840989 /nfs/dbraw/zinc/84/09/89/575840989.db2.gz LHHQQGCDTMIPES-UHFFFAOYSA-N 1 2 284.319 1.029 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nnc(C(C)C)[nH]1 ZINC000765231301 576000102 /nfs/dbraw/zinc/00/01/02/576000102.db2.gz QUTYVBSZBZQALO-NEPJUHHUSA-N 1 2 289.383 1.203 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nnc(C(C)C)[nH]1 ZINC000765231301 576000104 /nfs/dbraw/zinc/00/01/04/576000104.db2.gz QUTYVBSZBZQALO-NEPJUHHUSA-N 1 2 289.383 1.203 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000765231301 576000105 /nfs/dbraw/zinc/00/01/05/576000105.db2.gz QUTYVBSZBZQALO-NEPJUHHUSA-N 1 2 289.383 1.203 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000765231301 576000107 /nfs/dbraw/zinc/00/01/07/576000107.db2.gz QUTYVBSZBZQALO-NEPJUHHUSA-N 1 2 289.383 1.203 20 30 CDEDLO C#C[C@@H](C)N(C)c1nc(N(C)[C@@H](C)C#C)c(C)c[nH+]1 ZINC000767439556 576193466 /nfs/dbraw/zinc/19/34/66/576193466.db2.gz JUFHMXSXTSNYPJ-QWHCGFSZSA-N 1 2 256.353 1.701 20 30 CDEDLO N#Cc1cnc(NC(=O)c2ccc3[nH+]ccn3c2)s1 ZINC000759634560 576413598 /nfs/dbraw/zinc/41/35/98/576413598.db2.gz RXNIIPWOPSZZLL-UHFFFAOYSA-N 1 2 269.289 1.915 20 30 CDEDLO C[C@H](CNC(=O)COc1cccc(C#N)c1)Cn1cc[nH+]c1 ZINC000740727490 576511647 /nfs/dbraw/zinc/51/16/47/576511647.db2.gz QPRFRPQHYMUVEF-CYBMUJFWSA-N 1 2 298.346 1.586 20 30 CDEDLO N#CCOC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000741335119 576553430 /nfs/dbraw/zinc/55/34/30/576553430.db2.gz SKYFPQZAAFUGAP-UHFFFAOYSA-N 1 2 260.293 1.199 20 30 CDEDLO C#CCOC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741355161 576553729 /nfs/dbraw/zinc/55/37/29/576553729.db2.gz NJYFBCXOMDBVBL-HNNXBMFYSA-N 1 2 273.332 1.454 20 30 CDEDLO C#CCOC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741355161 576553730 /nfs/dbraw/zinc/55/37/30/576553730.db2.gz NJYFBCXOMDBVBL-HNNXBMFYSA-N 1 2 273.332 1.454 20 30 CDEDLO CC(C)N1CC[C@@H](O[NH+]=C(N)c2ccc(F)cc2)C1=O ZINC000747827744 576885927 /nfs/dbraw/zinc/88/59/27/576885927.db2.gz PDMWAXXWGTYNRC-GFCCVEGCSA-N 1 2 279.315 1.472 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(O)cc1C ZINC000748085544 576895011 /nfs/dbraw/zinc/89/50/11/576895011.db2.gz VBMDAZSVNWQJNL-AWEZNQCLSA-N 1 2 258.321 1.737 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(O)cc1C ZINC000748085544 576895012 /nfs/dbraw/zinc/89/50/12/576895012.db2.gz VBMDAZSVNWQJNL-AWEZNQCLSA-N 1 2 258.321 1.737 20 30 CDEDLO Cc1ccn(C[N@@H+]2CCS[C@H](C)CC2)c(=O)c1C#N ZINC000754880749 576920736 /nfs/dbraw/zinc/92/07/36/576920736.db2.gz BTJXYHXPSPLNEH-GFCCVEGCSA-N 1 2 277.393 1.813 20 30 CDEDLO Cc1ccn(C[N@H+]2CCS[C@H](C)CC2)c(=O)c1C#N ZINC000754880749 576920737 /nfs/dbraw/zinc/92/07/37/576920737.db2.gz BTJXYHXPSPLNEH-GFCCVEGCSA-N 1 2 277.393 1.813 20 30 CDEDLO C[C@H]1CCCC[C@H]1NC(=S)NN=Cc1c[nH+]cn1C ZINC000755518424 576947886 /nfs/dbraw/zinc/94/78/86/576947886.db2.gz BICMJYCXNFROJL-CMPLNLGQSA-N 1 2 279.413 1.797 20 30 CDEDLO CCN1C(=O)C(=NN=Cc2c[nH+]cn2C)c2ccccc21 ZINC000755519815 576948236 /nfs/dbraw/zinc/94/82/36/576948236.db2.gz PTHTYBQKIZIIAV-UHFFFAOYSA-N 1 2 281.319 1.610 20 30 CDEDLO Cn1c[nH+]cc1CN=Nc1nc(-c2ccncc2)no1 ZINC000755678488 576954984 /nfs/dbraw/zinc/95/49/84/576954984.db2.gz IJLIGOQWUGUFMA-UHFFFAOYSA-N 1 2 269.268 1.311 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cn1 ZINC000756129940 576978594 /nfs/dbraw/zinc/97/85/94/576978594.db2.gz JCLCEFQWTKBVHY-ZDUSSCGKSA-N 1 2 280.331 1.426 20 30 CDEDLO C#CCOCCC(=O)OCc1cn2cc(C)ccc2[nH+]1 ZINC000756304214 576984614 /nfs/dbraw/zinc/98/46/14/576984614.db2.gz UKCWZURYGRFURX-UHFFFAOYSA-N 1 2 272.304 1.726 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@]2(CCOC2)CC1=O ZINC000756844843 577008020 /nfs/dbraw/zinc/00/80/20/577008020.db2.gz CWORCLGLVANXAV-KRWDZBQOSA-N 1 2 299.374 1.587 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C[C@]2(CCOC2)CC1=O ZINC000756844843 577008022 /nfs/dbraw/zinc/00/80/22/577008022.db2.gz CWORCLGLVANXAV-KRWDZBQOSA-N 1 2 299.374 1.587 20 30 CDEDLO COc1nc(N(C)C)sc1C=[NH+]NC1CCOCC1 ZINC000757592583 577044276 /nfs/dbraw/zinc/04/42/76/577044276.db2.gz MFBQBAINIFMNOB-UHFFFAOYSA-N 1 2 284.385 1.320 20 30 CDEDLO COc1ccnc(N=NCc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000758373617 577102816 /nfs/dbraw/zinc/10/28/16/577102816.db2.gz YZWSTYRNJAPRJP-UHFFFAOYSA-N 1 2 298.350 1.926 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000819698032 599581364 /nfs/dbraw/zinc/58/13/64/599581364.db2.gz QHFPFKWKFOQNCR-UHFFFAOYSA-N 1 2 265.320 1.325 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000819698032 599581367 /nfs/dbraw/zinc/58/13/67/599581367.db2.gz QHFPFKWKFOQNCR-UHFFFAOYSA-N 1 2 265.320 1.325 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)[C@H](CC)SC)CC1 ZINC000980979703 613154923 /nfs/dbraw/zinc/15/49/23/613154923.db2.gz PRKWRDOHPUFPHI-LBPRGKRZSA-N 1 2 254.399 1.296 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)[C@H](CC)SC)CC1 ZINC000980979703 613154924 /nfs/dbraw/zinc/15/49/24/613154924.db2.gz PRKWRDOHPUFPHI-LBPRGKRZSA-N 1 2 254.399 1.296 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCC3CC3)C2)C1 ZINC000972304884 613212415 /nfs/dbraw/zinc/21/24/15/613212415.db2.gz ORZDMJLTEFXZME-MRXNPFEDSA-N 1 2 276.380 1.113 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCC3CC3)C2)C1 ZINC000972304884 613212416 /nfs/dbraw/zinc/21/24/16/613212416.db2.gz ORZDMJLTEFXZME-MRXNPFEDSA-N 1 2 276.380 1.113 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cccc3ncnn32)C1 ZINC000950783100 613297008 /nfs/dbraw/zinc/29/70/08/613297008.db2.gz UHIOHXGKMJNXDS-UHFFFAOYSA-N 1 2 299.378 1.452 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(CC)on2)CC1 ZINC000957375333 613319872 /nfs/dbraw/zinc/31/98/72/613319872.db2.gz NYVXGOANRMUFMF-UHFFFAOYSA-N 1 2 263.341 1.571 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cccc(CC)n2)CC1 ZINC000948788414 613320823 /nfs/dbraw/zinc/32/08/23/613320823.db2.gz OAWBVWPJDDQVLI-UHFFFAOYSA-N 1 2 273.380 1.978 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ncc(C)cc2OC)CC1 ZINC000948801021 613322324 /nfs/dbraw/zinc/32/23/24/613322324.db2.gz HERYOPURCYICJO-UHFFFAOYSA-N 1 2 289.379 1.733 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2conc2C)C1 ZINC000970363473 613372087 /nfs/dbraw/zinc/37/20/87/613372087.db2.gz MLCPLOHXSLCHAP-SECBINFHSA-N 1 2 283.759 1.786 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccn(C)c2)C1 ZINC000969492322 613372467 /nfs/dbraw/zinc/37/24/67/613372467.db2.gz BNHXTKKCGKVDIT-NSHDSACASA-N 1 2 281.787 1.828 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2coc(C)n2)C1 ZINC000969526725 613372692 /nfs/dbraw/zinc/37/26/92/613372692.db2.gz OISHIYYSJZHDTC-VIFPVBQESA-N 1 2 283.759 1.786 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC000980656973 613373665 /nfs/dbraw/zinc/37/36/65/613373665.db2.gz OCHUYJUNBBQQIA-ZYHUDNBSSA-N 1 2 256.777 1.929 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC000980656973 613373666 /nfs/dbraw/zinc/37/36/66/613373666.db2.gz OCHUYJUNBBQQIA-ZYHUDNBSSA-N 1 2 256.777 1.929 20 30 CDEDLO C=C(Cl)CN1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000957331932 613374618 /nfs/dbraw/zinc/37/46/18/613374618.db2.gz BPBHMXWNUPMRRE-UHFFFAOYSA-N 1 2 296.802 1.584 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC000966002730 613375432 /nfs/dbraw/zinc/37/54/32/613375432.db2.gz FAPRSLAGHANNPH-KOLCDFICSA-N 1 2 282.775 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC000966002730 613375433 /nfs/dbraw/zinc/37/54/33/613375433.db2.gz FAPRSLAGHANNPH-KOLCDFICSA-N 1 2 282.775 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)C2=CCOCC2)C1 ZINC000965936486 613377713 /nfs/dbraw/zinc/37/77/13/613377713.db2.gz QTEGKZLILCLRJW-FZMZJTMJSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2=CCOCC2)C1 ZINC000965936486 613377714 /nfs/dbraw/zinc/37/77/14/613377714.db2.gz QTEGKZLILCLRJW-FZMZJTMJSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn(C)n2)C1 ZINC000968643563 613378118 /nfs/dbraw/zinc/37/81/18/613378118.db2.gz NRMLBCSGCYGYJI-GXFFZTMASA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn(C)n2)C1 ZINC000968643563 613378119 /nfs/dbraw/zinc/37/81/19/613378119.db2.gz NRMLBCSGCYGYJI-GXFFZTMASA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccn[nH]2)C(C)(C)C1 ZINC000972824238 613379988 /nfs/dbraw/zinc/37/99/88/613379988.db2.gz GHEKRUBZVMVXSG-LLVKDONJSA-N 1 2 282.775 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccn[nH]2)C(C)(C)C1 ZINC000972824238 613379989 /nfs/dbraw/zinc/37/99/89/613379989.db2.gz GHEKRUBZVMVXSG-LLVKDONJSA-N 1 2 282.775 1.602 20 30 CDEDLO C=C1CCC(C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C)CC1 ZINC000968188021 613412426 /nfs/dbraw/zinc/41/24/26/613412426.db2.gz ASBBBQFROBZPPG-JSGCOSHPSA-N 1 2 293.411 1.045 20 30 CDEDLO C=C1CCC(C(=O)N[C@H]2C[N@H+](CC(N)=O)CC[C@@H]2C)CC1 ZINC000968188021 613412429 /nfs/dbraw/zinc/41/24/29/613412429.db2.gz ASBBBQFROBZPPG-JSGCOSHPSA-N 1 2 293.411 1.045 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2CC=CCC2)CC1 ZINC000949682372 613562381 /nfs/dbraw/zinc/56/23/81/613562381.db2.gz NIYDYKQIZNWUJA-OAHLLOKOSA-N 1 2 260.381 1.900 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC3CCC3)C2)C1 ZINC000972321170 613570023 /nfs/dbraw/zinc/57/00/23/613570023.db2.gz 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617366218 /nfs/dbraw/zinc/36/62/18/617366218.db2.gz XNILIJALUZMDPI-BFHYXJOUSA-N 1 2 287.363 1.212 20 30 CDEDLO C=CCN1CC(N(CC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000950098129 613658232 /nfs/dbraw/zinc/65/82/32/613658232.db2.gz YQXRHPPVCUHKQV-UHFFFAOYSA-N 1 2 298.390 1.975 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccn(C)c2C)C1 ZINC000951701168 613658268 /nfs/dbraw/zinc/65/82/68/613658268.db2.gz UOOSMZRRFXDUFY-UHFFFAOYSA-N 1 2 261.369 1.666 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CC[C@H]2CCCCO2)CC1 ZINC000950975574 613707553 /nfs/dbraw/zinc/70/75/53/613707553.db2.gz CUTBQLXBSAAPEW-CQSZACIVSA-N 1 2 266.385 1.666 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2nc3cc[nH]cc-3n2)CC1 ZINC000957107496 613708288 /nfs/dbraw/zinc/70/82/88/613708288.db2.gz XBXDGWVMPPYIHX-UHFFFAOYSA-N 1 2 299.378 1.221 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)Oc2cccnc2)CC1 ZINC000950424818 613712136 /nfs/dbraw/zinc/71/21/36/613712136.db2.gz YPVKCOMLSXIBPQ-ZDUSSCGKSA-N 1 2 275.352 1.179 20 30 CDEDLO C=CC(C)(C)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000891514286 617453217 /nfs/dbraw/zinc/45/32/17/617453217.db2.gz URHOKJFXSYUVFE-UHFFFAOYSA-N 1 2 269.389 1.361 20 30 CDEDLO Cn1nccc1[C@@H]1C[N@@H+]([C@H]2CC[C@H](C#N)C2)CCO1 ZINC000933538236 617487088 /nfs/dbraw/zinc/48/70/88/617487088.db2.gz COBQGDCUOVOMMQ-OBJOEFQTSA-N 1 2 260.341 1.486 20 30 CDEDLO Cn1nccc1[C@@H]1C[N@H+]([C@H]2CC[C@H](C#N)C2)CCO1 ZINC000933538236 617487092 /nfs/dbraw/zinc/48/70/92/617487092.db2.gz COBQGDCUOVOMMQ-OBJOEFQTSA-N 1 2 260.341 1.486 20 30 CDEDLO CCC[N@H+](CC(=O)N(C)C)Cc1csc(C#N)c1 ZINC000891778876 617582302 /nfs/dbraw/zinc/58/23/02/617582302.db2.gz TXNMBXUWCVTALG-UHFFFAOYSA-N 1 2 265.382 1.920 20 30 CDEDLO CCC[N@@H+](CC(=O)N(C)C)Cc1csc(C#N)c1 ZINC000891778876 617582304 /nfs/dbraw/zinc/58/23/04/617582304.db2.gz TXNMBXUWCVTALG-UHFFFAOYSA-N 1 2 265.382 1.920 20 30 CDEDLO CNc1cc(N2CCN(c3ccc(C#N)cn3)CC2)nc[nH+]1 ZINC000891953175 617827231 /nfs/dbraw/zinc/82/72/31/617827231.db2.gz XNNFRPWMOUNGLK-UHFFFAOYSA-N 1 2 295.350 1.112 20 30 CDEDLO CNc1cc(N2CCN(c3ccc(C#N)cn3)CC2)[nH+]cn1 ZINC000891953175 617827233 /nfs/dbraw/zinc/82/72/33/617827233.db2.gz XNNFRPWMOUNGLK-UHFFFAOYSA-N 1 2 295.350 1.112 20 30 CDEDLO C=CCN(CCOC)c1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000893461964 617945229 /nfs/dbraw/zinc/94/52/29/617945229.db2.gz UQFQKUBIBNJUAY-LBPRGKRZSA-N 1 2 280.372 1.298 20 30 CDEDLO C=CCN(CCOC)c1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000893461964 617945249 /nfs/dbraw/zinc/94/52/49/617945249.db2.gz UQFQKUBIBNJUAY-LBPRGKRZSA-N 1 2 280.372 1.298 20 30 CDEDLO C#CC[C@@H]1CCCN(c2cc(N[C@@H](CC)CO)[nH+]cn2)C1 ZINC000894348429 618808250 /nfs/dbraw/zinc/80/82/50/618808250.db2.gz BBRYDHUDMURUDS-KGLIPLIRSA-N 1 2 288.395 1.899 20 30 CDEDLO C#CC[C@@H]1CCCN(c2cc(N[C@@H](CC)CO)nc[nH+]2)C1 ZINC000894348429 618808252 /nfs/dbraw/zinc/80/82/52/618808252.db2.gz BBRYDHUDMURUDS-KGLIPLIRSA-N 1 2 288.395 1.899 20 30 CDEDLO C#C[C@H]1CCCN(c2cc(N[C@H](CC)CO)[nH+]cn2)C1 ZINC000894427509 618881505 /nfs/dbraw/zinc/88/15/05/618881505.db2.gz KNZMIPMBPSHRMD-QWHCGFSZSA-N 1 2 274.368 1.509 20 30 CDEDLO C#C[C@H]1CCCN(c2cc(N[C@H](CC)CO)nc[nH+]2)C1 ZINC000894427509 618881508 /nfs/dbraw/zinc/88/15/08/618881508.db2.gz KNZMIPMBPSHRMD-QWHCGFSZSA-N 1 2 274.368 1.509 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2cnc(C3CC3)o2)CCCN1O ZINC000895157417 619371470 /nfs/dbraw/zinc/37/14/70/619371470.db2.gz PWJLXFLBFWRNLW-JTQLQIEISA-N 1 2 251.286 1.022 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2cc(F)c(F)cc2F)CCCN1O ZINC000895162467 619382480 /nfs/dbraw/zinc/38/24/80/619382480.db2.gz LOXUNZZMYHFGJH-NSHDSACASA-N 1 2 274.242 1.574 20 30 CDEDLO Cc1cc(C#N)nc(NCc2cc(N(C)C)cc[nH+]2)n1 ZINC000895471423 619689640 /nfs/dbraw/zinc/68/96/40/619689640.db2.gz PNSGEIWXPOAEDK-UHFFFAOYSA-N 1 2 268.324 1.730 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1 ZINC000896188198 620021020 /nfs/dbraw/zinc/02/10/20/620021020.db2.gz YWJOJRAZTABIOB-KGLIPLIRSA-N 1 2 286.375 1.507 20 30 CDEDLO CCn1c[nH+]c2c1CCN(c1nnc(C)c(C)c1C#N)C2 ZINC000896659399 620180783 /nfs/dbraw/zinc/18/07/83/620180783.db2.gz DOPBLQGYEMFYED-UHFFFAOYSA-N 1 2 282.351 1.744 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000897902054 621206994 /nfs/dbraw/zinc/20/69/94/621206994.db2.gz IQJUMFHPXDGCSR-SWHYSGLUSA-N 1 2 290.367 1.250 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897902054 621206997 /nfs/dbraw/zinc/20/69/97/621206997.db2.gz IQJUMFHPXDGCSR-SWHYSGLUSA-N 1 2 290.367 1.250 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)nc1 ZINC000898490944 621761835 /nfs/dbraw/zinc/76/18/35/621761835.db2.gz KCNQJUMHTBJYAB-CYBMUJFWSA-N 1 2 275.327 1.227 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)nc1 ZINC000898490944 621761837 /nfs/dbraw/zinc/76/18/37/621761837.db2.gz KCNQJUMHTBJYAB-CYBMUJFWSA-N 1 2 275.327 1.227 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](CCF)C2)C1 ZINC000898503095 621778932 /nfs/dbraw/zinc/77/89/32/621778932.db2.gz HJWZLNMITMDGSZ-LBPRGKRZSA-N 1 2 254.349 1.893 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)C1 ZINC000898503095 621778936 /nfs/dbraw/zinc/77/89/36/621778936.db2.gz HJWZLNMITMDGSZ-LBPRGKRZSA-N 1 2 254.349 1.893 20 30 CDEDLO C#CC1(O)CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000899122048 622054524 /nfs/dbraw/zinc/05/45/24/622054524.db2.gz MDKAWCQVUYWFHH-AWEZNQCLSA-N 1 2 289.379 1.457 20 30 CDEDLO CC[C@](C)(C#N)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000900464520 623095248 /nfs/dbraw/zinc/09/52/48/623095248.db2.gz ONCDQTYXPLAEPG-TZMCWYRMSA-N 1 2 275.356 1.598 20 30 CDEDLO CC[C@](C)(C#N)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000900464520 623095254 /nfs/dbraw/zinc/09/52/54/623095254.db2.gz ONCDQTYXPLAEPG-TZMCWYRMSA-N 1 2 275.356 1.598 20 30 CDEDLO CCC[C@@H](C#N)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000900470560 623106823 /nfs/dbraw/zinc/10/68/23/623106823.db2.gz XCELSCQBJAFKID-GXFFZTMASA-N 1 2 275.356 1.598 20 30 CDEDLO CCC[C@@H](C#N)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000900470560 623106836 /nfs/dbraw/zinc/10/68/36/623106836.db2.gz XCELSCQBJAFKID-GXFFZTMASA-N 1 2 275.356 1.598 20 30 CDEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H](C#N)C(C)(C)C)[nH]n1 ZINC000900971962 623706623 /nfs/dbraw/zinc/70/66/23/623706623.db2.gz LYPCSGFFOWOVHN-OLZOCXBDSA-N 1 2 289.383 1.844 20 30 CDEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H](C#N)C(C)(C)C)[nH]n1 ZINC000900971962 623706628 /nfs/dbraw/zinc/70/66/28/623706628.db2.gz LYPCSGFFOWOVHN-OLZOCXBDSA-N 1 2 289.383 1.844 20 30 CDEDLO C=CCCSCCNC(=O)CNc1cccc[nH+]1 ZINC000912384416 629954953 /nfs/dbraw/zinc/95/49/53/629954953.db2.gz XJKRNKMZIOYDJD-UHFFFAOYSA-N 1 2 265.382 1.919 20 30 CDEDLO C[C@@H](CO)N(C)N=C1CC[N@H+](Cc2ccccc2)C1 ZINC000842543534 630695177 /nfs/dbraw/zinc/69/51/77/630695177.db2.gz KMJZWZWYAFYGIM-ZDUSSCGKSA-N 1 2 261.369 1.561 20 30 CDEDLO C[C@@H](CO)N(C)N=C1CC[N@@H+](Cc2ccccc2)C1 ZINC000842543534 630695178 /nfs/dbraw/zinc/69/51/78/630695178.db2.gz KMJZWZWYAFYGIM-ZDUSSCGKSA-N 1 2 261.369 1.561 20 30 CDEDLO C=CCNC(=S)NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000917024920 632128802 /nfs/dbraw/zinc/12/88/02/632128802.db2.gz CKHXORRSACTYOL-UHFFFAOYSA-N 1 2 285.376 1.856 20 30 CDEDLO C#CCNC(=O)C[N@@H+](CCC)Cc1ccccc1F ZINC000917360937 632204517 /nfs/dbraw/zinc/20/45/17/632204517.db2.gz CDOJRPCVGGBDHD-UHFFFAOYSA-N 1 2 262.328 1.787 20 30 CDEDLO C#CCNC(=O)C[N@H+](CCC)Cc1ccccc1F ZINC000917360937 632204526 /nfs/dbraw/zinc/20/45/26/632204526.db2.gz CDOJRPCVGGBDHD-UHFFFAOYSA-N 1 2 262.328 1.787 20 30 CDEDLO CCCN[NH+]=Cc1c(C)nn2c1[nH]c1ccccc1c2=O ZINC000918713141 632424897 /nfs/dbraw/zinc/42/48/97/632424897.db2.gz VTXNGQHJFFIKBU-UHFFFAOYSA-N 1 2 283.335 1.818 20 30 CDEDLO N#C[C@H](NC(=O)CNc1cccc[nH+]1)C1CCCC1 ZINC000921556982 633083946 /nfs/dbraw/zinc/08/39/46/633083946.db2.gz SLNRLBFLQPXYPJ-LBPRGKRZSA-N 1 2 258.325 1.692 20 30 CDEDLO N#C[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000921626341 633106045 /nfs/dbraw/zinc/10/60/45/633106045.db2.gz AGAJQGDFJYXKHG-ZIAGYGMSSA-N 1 2 299.378 1.605 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)C)C[C@@H]21 ZINC001074174309 678971085 /nfs/dbraw/zinc/97/10/85/678971085.db2.gz NLKWTTLDFJEZJP-KBPBESRZSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CCOCC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000347469599 679173475 /nfs/dbraw/zinc/17/34/75/679173475.db2.gz ONUDEJAJRBRTTK-LBPRGKRZSA-N 1 2 263.341 1.329 20 30 CDEDLO C#CC[NH2+][C@H]1CN(C(=O)C(F)C(F)(F)F)CC1(C)C ZINC000995850801 679411224 /nfs/dbraw/zinc/41/12/24/679411224.db2.gz VLBAHGKZCROULP-IUCAKERBSA-N 1 2 280.265 1.347 20 30 CDEDLO C#CC[NH2+][C@H]1CN(C(=O)[C@H](F)C(F)(F)F)CC1(C)C ZINC000995850801 679411230 /nfs/dbraw/zinc/41/12/30/679411230.db2.gz VLBAHGKZCROULP-IUCAKERBSA-N 1 2 280.265 1.347 20 30 CDEDLO C=CC(C)(C)CNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000922712817 679632884 /nfs/dbraw/zinc/63/28/84/679632884.db2.gz UGWJUQIXYIQWCT-CYBMUJFWSA-N 1 2 283.416 1.609 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccsc2C)C1 ZINC001031055046 679645847 /nfs/dbraw/zinc/64/58/47/679645847.db2.gz BJSJYVAVTGVFCN-UHFFFAOYSA-N 1 2 262.378 1.423 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2cc[nH]n2)CC[C@H]1C ZINC001071405064 677821571 /nfs/dbraw/zinc/82/15/71/677821571.db2.gz YIGRCHYKLRESJS-DGCLKSJQSA-N 1 2 296.802 1.674 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2cc[nH]n2)CC[C@H]1C ZINC001071405064 677821573 /nfs/dbraw/zinc/82/15/73/677821573.db2.gz YIGRCHYKLRESJS-DGCLKSJQSA-N 1 2 296.802 1.674 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2nonc2c1 ZINC001017880284 677776617 /nfs/dbraw/zinc/77/66/17/677776617.db2.gz LKMAJNUWBOHRGT-BETUJISGSA-N 1 2 296.330 1.145 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2nonc2c1 ZINC001017880284 677776619 /nfs/dbraw/zinc/77/66/19/677776619.db2.gz LKMAJNUWBOHRGT-BETUJISGSA-N 1 2 296.330 1.145 20 30 CDEDLO C#Cc1ccc(CN2CC[NH+](CC[S@@](C)=O)CC2)cc1 ZINC000809581797 677794418 /nfs/dbraw/zinc/79/44/18/677794418.db2.gz PAKCTHLUXXROTK-HXUWFJFHSA-N 1 2 290.432 1.164 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)Cc1ccc(OC)c(F)c1 ZINC000048216352 677799559 /nfs/dbraw/zinc/79/95/59/677799559.db2.gz PWICUPCCKHRATJ-UHFFFAOYSA-N 1 2 266.316 1.568 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)Cc1ccc(OC)c(F)c1 ZINC000048216352 677799561 /nfs/dbraw/zinc/79/95/61/677799561.db2.gz PWICUPCCKHRATJ-UHFFFAOYSA-N 1 2 266.316 1.568 20 30 CDEDLO C#CC1(F)CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000881940906 677816924 /nfs/dbraw/zinc/81/69/24/677816924.db2.gz QKDGPRHWVFIDPX-UHFFFAOYSA-N 1 2 297.333 1.658 20 30 CDEDLO C=CC[C@H](CC)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868018362 677842895 /nfs/dbraw/zinc/84/28/95/677842895.db2.gz KCKGYFQVMGAHKE-IYNGYCSASA-N 1 2 252.358 1.346 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(F)nc2)C1 ZINC001042539634 677856680 /nfs/dbraw/zinc/85/66/80/677856680.db2.gz LYOUJSXSRWTOQZ-UHFFFAOYSA-N 1 2 263.316 1.553 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccn(C)c1)CO2 ZINC001053775945 677874087 /nfs/dbraw/zinc/87/40/87/677874087.db2.gz KVBAKFSHNUHJIH-CQSZACIVSA-N 1 2 289.379 1.174 20 30 CDEDLO O=C(C#Cc1cccs1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000827043316 677931818 /nfs/dbraw/zinc/93/18/18/677931818.db2.gz ZOQUXZRGNUQWQZ-CYBMUJFWSA-N 1 2 290.388 1.033 20 30 CDEDLO N#CCN1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001007913973 677933991 /nfs/dbraw/zinc/93/39/91/677933991.db2.gz LBCQZZOTQXWCLQ-LBPRGKRZSA-N 1 2 283.335 1.052 20 30 CDEDLO C#CC[NH+]1CCC(NC(=O)c2n[nH]c3ccccc32)CC1 ZINC000928661315 677942323 /nfs/dbraw/zinc/94/23/23/677942323.db2.gz QSJJKNBAMLTYPV-UHFFFAOYSA-N 1 2 282.347 1.390 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@@H](OC)C2)C1 ZINC001043151186 677979232 /nfs/dbraw/zinc/97/92/32/677979232.db2.gz VUPATNWJZKQNSU-TZMCWYRMSA-N 1 2 266.385 1.520 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1CC=CC1)CO2 ZINC001053762123 677989445 /nfs/dbraw/zinc/98/94/45/677989445.db2.gz REUHTMCZXJTMEJ-CQSZACIVSA-N 1 2 276.380 1.488 20 30 CDEDLO C[C@@H](C#N)OCCn1c2ccccc2[nH+]c1NCCO ZINC000802726297 678012782 /nfs/dbraw/zinc/01/27/82/678012782.db2.gz HLSIVKDBIZGRAK-NSHDSACASA-N 1 2 274.324 1.369 20 30 CDEDLO COC(=O)/C=C\c1ccc(C[NH+]2CCN(CC#N)CC2)o1 ZINC000848885761 678013296 /nfs/dbraw/zinc/01/32/96/678013296.db2.gz RHHUZXWHOYNOSJ-PLNGDYQASA-N 1 2 289.335 1.107 20 30 CDEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C(F)=C(C)C)C2)CC1 ZINC001052011323 678075573 /nfs/dbraw/zinc/07/55/73/678075573.db2.gz QOBMILNRUKQYMS-CQSZACIVSA-N 1 2 293.386 1.102 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCC2(F)F)C1 ZINC001031760724 678105061 /nfs/dbraw/zinc/10/50/61/678105061.db2.gz NQLMJVZGOUYDGS-SNVBAGLBSA-N 1 2 278.730 1.832 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(F)c1C ZINC001038276939 678108570 /nfs/dbraw/zinc/10/85/70/678108570.db2.gz YSXIQHUXSRDRLG-LBPRGKRZSA-N 1 2 260.312 1.571 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(F)c1C ZINC001038276939 678108572 /nfs/dbraw/zinc/10/85/72/678108572.db2.gz YSXIQHUXSRDRLG-LBPRGKRZSA-N 1 2 260.312 1.571 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCO[C@@H]2C(C)C)C1 ZINC001042880812 678117428 /nfs/dbraw/zinc/11/74/28/678117428.db2.gz HDSOCDFVLAQXNE-LSDHHAIUSA-N 1 2 280.412 1.766 20 30 CDEDLO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]CCC#N)C1 ZINC000425975058 678125010 /nfs/dbraw/zinc/12/50/10/678125010.db2.gz GDORLOUHFZAVJX-UHFFFAOYSA-N 1 2 296.367 1.542 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cc(F)ccc2F)C1 ZINC001043678196 678132143 /nfs/dbraw/zinc/13/21/43/678132143.db2.gz GUUBUPLXCAUFDL-UHFFFAOYSA-N 1 2 280.318 1.836 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCO[C@@H]1C ZINC001017508626 678138074 /nfs/dbraw/zinc/13/80/74/678138074.db2.gz FMEAIFXNDTVACZ-APIJFGDWSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCO[C@@H]1C ZINC001017508626 678138077 /nfs/dbraw/zinc/13/80/77/678138077.db2.gz FMEAIFXNDTVACZ-APIJFGDWSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1C=CCC1 ZINC001017340558 678138371 /nfs/dbraw/zinc/13/83/71/678138371.db2.gz MGRLESWYKOUEDN-SOUVJXGZSA-N 1 2 258.365 1.651 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1C=CCC1 ZINC001017340558 678138373 /nfs/dbraw/zinc/13/83/73/678138373.db2.gz MGRLESWYKOUEDN-SOUVJXGZSA-N 1 2 258.365 1.651 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC001043264415 678181574 /nfs/dbraw/zinc/18/15/74/678181574.db2.gz IPPLQHHLVWGWRB-INIZCTEOSA-N 1 2 286.375 1.709 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(CC)[nH]n2)C1 ZINC001033752105 678191725 /nfs/dbraw/zinc/19/17/25/678191725.db2.gz BFJMCPSBTLMTTP-CYBMUJFWSA-N 1 2 274.368 1.142 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(CC)[nH]n2)C1 ZINC001033752105 678191727 /nfs/dbraw/zinc/19/17/27/678191727.db2.gz BFJMCPSBTLMTTP-CYBMUJFWSA-N 1 2 274.368 1.142 20 30 CDEDLO CN(C)c1cc(C#N)cc(C(=O)OCCn2cc[nH+]c2)c1 ZINC000814574252 678199064 /nfs/dbraw/zinc/19/90/64/678199064.db2.gz QPQGNBCEJNIYGH-UHFFFAOYSA-N 1 2 284.319 1.678 20 30 CDEDLO C=CCC[N@@H+]1C[C@H]2CN(C(=O)C(F)C(F)(F)F)C[C@H]2C1 ZINC001048833718 678213165 /nfs/dbraw/zinc/21/31/65/678213165.db2.gz SPESSPNYDONAPW-AXFHLTTASA-N 1 2 294.292 1.853 20 30 CDEDLO C=CCC[N@H+]1C[C@H]2CN(C(=O)C(F)C(F)(F)F)C[C@H]2C1 ZINC001048833718 678213166 /nfs/dbraw/zinc/21/31/66/678213166.db2.gz SPESSPNYDONAPW-AXFHLTTASA-N 1 2 294.292 1.853 20 30 CDEDLO C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]2C1 ZINC001048833718 678213167 /nfs/dbraw/zinc/21/31/67/678213167.db2.gz SPESSPNYDONAPW-AXFHLTTASA-N 1 2 294.292 1.853 20 30 CDEDLO C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]2C1 ZINC001048833718 678213168 /nfs/dbraw/zinc/21/31/68/678213168.db2.gz SPESSPNYDONAPW-AXFHLTTASA-N 1 2 294.292 1.853 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2ccc(OC)cn2)C1 ZINC001043634306 679673922 /nfs/dbraw/zinc/67/39/22/679673922.db2.gz SHIBQFZDGPDXCC-UHFFFAOYSA-N 1 2 289.379 1.351 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c3c[nH]nc3ccc2C)C1 ZINC001030580358 679695065 /nfs/dbraw/zinc/69/50/65/679695065.db2.gz UCGANFVLAIJLRS-UHFFFAOYSA-N 1 2 282.347 1.309 20 30 CDEDLO N#CCNC[C@@H]1CCC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001753903299 1158492802 /nfs/dbraw/zinc/49/28/02/1158492802.db2.gz XDCNJRYQTPECDK-UONOGXRCSA-N 1 2 289.383 1.061 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001028085912 677785087 /nfs/dbraw/zinc/78/50/87/677785087.db2.gz PBYZTWLSHGFWQK-WUHRBBMRSA-N 1 2 284.787 1.212 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001028085912 677785090 /nfs/dbraw/zinc/78/50/90/677785090.db2.gz PBYZTWLSHGFWQK-WUHRBBMRSA-N 1 2 284.787 1.212 20 30 CDEDLO C#CCOc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000857947869 677889757 /nfs/dbraw/zinc/88/97/57/677889757.db2.gz DVBRHFCYZNMDGB-AWEZNQCLSA-N 1 2 295.342 1.640 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)nc1C ZINC001017418237 677913879 /nfs/dbraw/zinc/91/38/79/677913879.db2.gz JBZQKPNMTRHPOY-OKILXGFUSA-N 1 2 286.379 1.041 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)nc1C ZINC001017418237 677913880 /nfs/dbraw/zinc/91/38/80/677913880.db2.gz JBZQKPNMTRHPOY-OKILXGFUSA-N 1 2 286.379 1.041 20 30 CDEDLO C=C(Br)CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000777469864 677969744 /nfs/dbraw/zinc/96/97/44/677969744.db2.gz BVOZAHWYEYHCIN-VIFPVBQESA-N 1 2 299.172 1.406 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cn(C)nc2C(C)C)C1 ZINC001044287539 677980368 /nfs/dbraw/zinc/98/03/68/677980368.db2.gz BVRGANYOEAXCCS-UHFFFAOYSA-N 1 2 288.395 1.323 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1C(C)C ZINC000884140071 678043808 /nfs/dbraw/zinc/04/38/08/678043808.db2.gz JXJILHGAWMIIPH-STQMWFEESA-N 1 2 282.384 1.470 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@@H]3CC[C@@H](C)O3)C2)nc1 ZINC001031278226 678081487 /nfs/dbraw/zinc/08/14/87/678081487.db2.gz IFDBWMFBGNZTKA-DOMZBBRYSA-N 1 2 299.374 1.044 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnccc1C(F)(F)F ZINC001038754609 678146775 /nfs/dbraw/zinc/14/67/75/678146775.db2.gz KQHUUZFQUZUJMX-SNVBAGLBSA-N 1 2 297.280 1.538 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnccc1C(F)(F)F ZINC001038754609 678146778 /nfs/dbraw/zinc/14/67/78/678146778.db2.gz KQHUUZFQUZUJMX-SNVBAGLBSA-N 1 2 297.280 1.538 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCCc3nn(C)cc32)C1 ZINC001043652260 678150996 /nfs/dbraw/zinc/15/09/96/678150996.db2.gz AOAVPTLVUUTZDX-ZDUSSCGKSA-N 1 2 288.395 1.169 20 30 CDEDLO N#CCCC[NH+]1CCN(Cc2cncs2)CC1 ZINC000931359233 678155045 /nfs/dbraw/zinc/15/50/45/678155045.db2.gz KXHAXLFRWWFERQ-UHFFFAOYSA-N 1 2 250.371 1.564 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2cncs2)CC[C@@H]1C ZINC001071376179 678172672 /nfs/dbraw/zinc/17/26/72/678172672.db2.gz PDPYUSDGUVQWRE-WDEREUQCSA-N 1 2 263.366 1.359 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2cncs2)CC[C@@H]1C ZINC001071376179 678172670 /nfs/dbraw/zinc/17/26/70/678172670.db2.gz PDPYUSDGUVQWRE-WDEREUQCSA-N 1 2 263.366 1.359 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C)ccc2F)C1 ZINC001043971802 678225133 /nfs/dbraw/zinc/22/51/33/678225133.db2.gz XUEXBLYSCFVKSE-UHFFFAOYSA-N 1 2 274.339 1.914 20 30 CDEDLO NC(CCO)=[NH+]OCc1ncc(-c2ccccc2F)o1 ZINC000121348066 678246991 /nfs/dbraw/zinc/24/69/91/678246991.db2.gz PRFZABRLTFNIIG-UHFFFAOYSA-N 1 2 279.271 1.652 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)CC)C[C@H]21 ZINC001074323716 678252966 /nfs/dbraw/zinc/25/29/66/678252966.db2.gz FNWAQFIXSMPOKZ-CABCVRRESA-N 1 2 292.423 1.748 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)CC)C[C@H]21 ZINC001074323716 678252968 /nfs/dbraw/zinc/25/29/68/678252968.db2.gz FNWAQFIXSMPOKZ-CABCVRRESA-N 1 2 292.423 1.748 20 30 CDEDLO Cn1cc[nH+]c1NN=Cc1cc2c(cc1O)OCO2 ZINC000790305247 678255075 /nfs/dbraw/zinc/25/50/75/678255075.db2.gz GPSAGVLCWGULTL-UHFFFAOYSA-N 1 2 260.253 1.300 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cncnc2C(C)C)C1 ZINC001031400280 678258931 /nfs/dbraw/zinc/25/89/31/678258931.db2.gz YTSYOSCTHLOKPM-UHFFFAOYSA-N 1 2 272.352 1.037 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CCC1CC1)CCO2 ZINC001053196601 678276942 /nfs/dbraw/zinc/27/69/42/678276942.db2.gz BUGWXDBCYGHRBS-UHFFFAOYSA-N 1 2 278.396 1.666 20 30 CDEDLO Cc1cccn2cc(CC(=O)N3CCO[C@@](C)(C#N)C3)[nH+]c12 ZINC000887674368 678286256 /nfs/dbraw/zinc/28/62/56/678286256.db2.gz AHPOAZFYXHAISF-INIZCTEOSA-N 1 2 298.346 1.326 20 30 CDEDLO C[C@@H](O)c1cc(NC[C@@H](O)C[N@H+](C)CCC#N)ccc1F ZINC000819485205 678286508 /nfs/dbraw/zinc/28/65/08/678286508.db2.gz BOGJJPOOPUZCTP-DGCLKSJQSA-N 1 2 295.358 1.497 20 30 CDEDLO C[C@@H](O)c1cc(NC[C@@H](O)C[N@@H+](C)CCC#N)ccc1F ZINC000819485205 678286512 /nfs/dbraw/zinc/28/65/12/678286512.db2.gz BOGJJPOOPUZCTP-DGCLKSJQSA-N 1 2 295.358 1.497 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc[nH]c2C)C1 ZINC001010488503 678287546 /nfs/dbraw/zinc/28/75/46/678287546.db2.gz IQHVQFNDGXXXSN-NSHDSACASA-N 1 2 267.760 1.880 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c2C)C1 ZINC001010488503 678287549 /nfs/dbraw/zinc/28/75/49/678287549.db2.gz IQHVQFNDGXXXSN-NSHDSACASA-N 1 2 267.760 1.880 20 30 CDEDLO C=CC[N@H+](CN1CC(=O)N(C(C)C)C1=O)[C@@H](C)COC ZINC000853532744 678306145 /nfs/dbraw/zinc/30/61/45/678306145.db2.gz KYIGOZBVTSEMHN-LBPRGKRZSA-N 1 2 283.372 1.139 20 30 CDEDLO C=CC[N@@H+](CN1CC(=O)N(C(C)C)C1=O)[C@@H](C)COC ZINC000853532744 678306148 /nfs/dbraw/zinc/30/61/48/678306148.db2.gz KYIGOZBVTSEMHN-LBPRGKRZSA-N 1 2 283.372 1.139 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccon1 ZINC001073970792 678321748 /nfs/dbraw/zinc/32/17/48/678321748.db2.gz ZLGDOTOWDCMPHU-GXTWGEPZSA-N 1 2 290.367 1.647 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccon1 ZINC001073970792 678321754 /nfs/dbraw/zinc/32/17/54/678321754.db2.gz ZLGDOTOWDCMPHU-GXTWGEPZSA-N 1 2 290.367 1.647 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccsc2)C1 ZINC001030069483 678324667 /nfs/dbraw/zinc/32/46/67/678324667.db2.gz JDMULKPIVCNKIV-UHFFFAOYSA-N 1 2 250.367 1.667 20 30 CDEDLO Cc1ccccc1CC(N)=[NH+]OCCO[C@@H](C)C#N ZINC000802731528 678338308 /nfs/dbraw/zinc/33/83/08/678338308.db2.gz RUUYOKAHRNYJLF-LBPRGKRZSA-N 1 2 261.325 1.965 20 30 CDEDLO N#CCCCC[N@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933327403 678353289 /nfs/dbraw/zinc/35/32/89/678353289.db2.gz RZYRWYPODHDJJP-AWEZNQCLSA-N 1 2 257.337 1.853 20 30 CDEDLO N#CCCCC[N@@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933327403 678353292 /nfs/dbraw/zinc/35/32/92/678353292.db2.gz RZYRWYPODHDJJP-AWEZNQCLSA-N 1 2 257.337 1.853 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C(C)C)CC1 ZINC000884140366 678367783 /nfs/dbraw/zinc/36/77/83/678367783.db2.gz RJMXQFHTBOAQNE-KBPBESRZSA-N 1 2 296.411 1.718 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1noc2c1CCCC2 ZINC001038735520 678368114 /nfs/dbraw/zinc/36/81/14/678368114.db2.gz ITYFQAIZZGOXHV-LLVKDONJSA-N 1 2 275.352 1.544 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1noc2c1CCCC2 ZINC001038735520 678368120 /nfs/dbraw/zinc/36/81/20/678368120.db2.gz ITYFQAIZZGOXHV-LLVKDONJSA-N 1 2 275.352 1.544 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2cnoc2)CC[C@H]1C ZINC001071759446 678371472 /nfs/dbraw/zinc/37/14/72/678371472.db2.gz HNDUYGFIGCWHKS-DGCLKSJQSA-N 1 2 297.786 1.939 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2cnoc2)CC[C@H]1C ZINC001071759446 678371474 /nfs/dbraw/zinc/37/14/74/678371474.db2.gz HNDUYGFIGCWHKS-DGCLKSJQSA-N 1 2 297.786 1.939 20 30 CDEDLO Cc1cc(N[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001056587664 678394682 /nfs/dbraw/zinc/39/46/82/678394682.db2.gz NIEBSXSFMMKHJP-ZWNOBZJWSA-N 1 2 299.378 1.835 20 30 CDEDLO C#CCC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC001033407405 678395237 /nfs/dbraw/zinc/39/52/37/678395237.db2.gz OHIBOPXRDDKZBG-SNVBAGLBSA-N 1 2 296.321 1.517 20 30 CDEDLO C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC001033407405 678395239 /nfs/dbraw/zinc/39/52/39/678395239.db2.gz OHIBOPXRDDKZBG-SNVBAGLBSA-N 1 2 296.321 1.517 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001038357665 678415953 /nfs/dbraw/zinc/41/59/53/678415953.db2.gz QHULBQILMNLHTO-NSHDSACASA-N 1 2 264.275 1.402 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001038357665 678415954 /nfs/dbraw/zinc/41/59/54/678415954.db2.gz QHULBQILMNLHTO-NSHDSACASA-N 1 2 264.275 1.402 20 30 CDEDLO Cc1cnc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)o1 ZINC001075619948 678423051 /nfs/dbraw/zinc/42/30/51/678423051.db2.gz UQAVFZBONPFFAJ-KGYLQXTDSA-N 1 2 288.351 1.175 20 30 CDEDLO Cc1cnc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)o1 ZINC001075619948 678423053 /nfs/dbraw/zinc/42/30/53/678423053.db2.gz UQAVFZBONPFFAJ-KGYLQXTDSA-N 1 2 288.351 1.175 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2[nH]c(C)nc2C)C1 ZINC001033436599 678450503 /nfs/dbraw/zinc/45/05/03/678450503.db2.gz ZSONYOPESDDVTG-LBPRGKRZSA-N 1 2 296.802 1.925 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2[nH]c(C)nc2C)C1 ZINC001033436599 678450504 /nfs/dbraw/zinc/45/05/04/678450504.db2.gz ZSONYOPESDDVTG-LBPRGKRZSA-N 1 2 296.802 1.925 20 30 CDEDLO O=C(C#CC1CC1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000837325395 678454136 /nfs/dbraw/zinc/45/41/36/678454136.db2.gz GQLDAMSFMMHKJU-UHFFFAOYSA-N 1 2 269.348 1.711 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccc(OC)c2F)C1 ZINC001044083809 678471431 /nfs/dbraw/zinc/47/14/31/678471431.db2.gz UTCLFCZMJMQGKO-UHFFFAOYSA-N 1 2 290.338 1.614 20 30 CDEDLO COc1ccc2c(c1)OCC[N@@H+](C[C@H](O)CC#N)C2 ZINC000930356632 678479115 /nfs/dbraw/zinc/47/91/15/678479115.db2.gz IBVAIFHCPTVMCO-GFCCVEGCSA-N 1 2 262.309 1.164 20 30 CDEDLO COc1ccc2c(c1)OCC[N@H+](C[C@H](O)CC#N)C2 ZINC000930356632 678479117 /nfs/dbraw/zinc/47/91/17/678479117.db2.gz IBVAIFHCPTVMCO-GFCCVEGCSA-N 1 2 262.309 1.164 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cn3ccccc3n2)C1 ZINC001044260811 678483662 /nfs/dbraw/zinc/48/36/62/678483662.db2.gz GZWXRTNUZXHXFN-UHFFFAOYSA-N 1 2 282.347 1.114 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2cnoc2)CC[C@H]1C ZINC001071759450 678485951 /nfs/dbraw/zinc/48/59/51/678485951.db2.gz HNDUYGFIGCWHKS-YPMHNXCESA-N 1 2 297.786 1.939 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2cnoc2)CC[C@H]1C ZINC001071759450 678485953 /nfs/dbraw/zinc/48/59/53/678485953.db2.gz HNDUYGFIGCWHKS-YPMHNXCESA-N 1 2 297.786 1.939 20 30 CDEDLO C#CC[NH+]1CCC2(C[C@H]2NC(=O)c2[nH]nc(C)c2C)CC1 ZINC001016543492 678497290 /nfs/dbraw/zinc/49/72/90/678497290.db2.gz QZINUIKHALSPAH-CYBMUJFWSA-N 1 2 286.379 1.244 20 30 CDEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+]2[C@H](CC)C(N)=O)CC1 ZINC001038667594 678502267 /nfs/dbraw/zinc/50/22/67/678502267.db2.gz NUZMPNHGWABOFX-UONOGXRCSA-N 1 2 293.411 1.187 20 30 CDEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+]2[C@H](CC)C(N)=O)CC1 ZINC001038667594 678502274 /nfs/dbraw/zinc/50/22/74/678502274.db2.gz NUZMPNHGWABOFX-UONOGXRCSA-N 1 2 293.411 1.187 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001030820811 678510270 /nfs/dbraw/zinc/51/02/70/678510270.db2.gz NFUPQWYYRNGUMG-GFCCVEGCSA-N 1 2 284.359 1.620 20 30 CDEDLO C=C(C)C[N@H+](C)CN1C(=O)CC2(CCCC2)C1=O ZINC000777960995 678562527 /nfs/dbraw/zinc/56/25/27/678562527.db2.gz OZOJXDLQEWSQML-UHFFFAOYSA-N 1 2 250.342 1.771 20 30 CDEDLO C=C(C)C[N@@H+](C)CN1C(=O)CC2(CCCC2)C1=O ZINC000777960995 678562530 /nfs/dbraw/zinc/56/25/30/678562530.db2.gz OZOJXDLQEWSQML-UHFFFAOYSA-N 1 2 250.342 1.771 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001042865160 678567559 /nfs/dbraw/zinc/56/75/59/678567559.db2.gz DYVYIFUSPUYLMS-SNVBAGLBSA-N 1 2 258.312 1.750 20 30 CDEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(C)=O ZINC000860176609 678569027 /nfs/dbraw/zinc/56/90/27/678569027.db2.gz RCPBCXAEWOYOCQ-NSHDSACASA-N 1 2 275.190 1.886 20 30 CDEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(C)=O ZINC000860176609 678569031 /nfs/dbraw/zinc/56/90/31/678569031.db2.gz RCPBCXAEWOYOCQ-NSHDSACASA-N 1 2 275.190 1.886 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](F)C1 ZINC001017856135 678593112 /nfs/dbraw/zinc/59/31/12/678593112.db2.gz OIMQAPQTTGVKHJ-XDQVBPFNSA-N 1 2 264.344 1.433 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](F)C1 ZINC001017856135 678593115 /nfs/dbraw/zinc/59/31/15/678593115.db2.gz OIMQAPQTTGVKHJ-XDQVBPFNSA-N 1 2 264.344 1.433 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001030989480 678593212 /nfs/dbraw/zinc/59/32/12/678593212.db2.gz MRLDZLJPBHQWAO-CHWSQXEVSA-N 1 2 260.337 1.760 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC3(C)C)C2)C1 ZINC000972510781 678597662 /nfs/dbraw/zinc/59/76/62/678597662.db2.gz PUWJFPNSRQPOGL-PBHICJAKSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC3(C)C)C2)C1 ZINC000972510781 678597664 /nfs/dbraw/zinc/59/76/64/678597664.db2.gz PUWJFPNSRQPOGL-PBHICJAKSA-N 1 2 290.407 1.359 20 30 CDEDLO CCC#C[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879762889 678626098 /nfs/dbraw/zinc/62/60/98/678626098.db2.gz HCOTWNLRGYHOMP-ZYHUDNBSSA-N 1 2 276.302 1.931 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2sccc2COC)C1 ZINC001015990694 678627124 /nfs/dbraw/zinc/62/71/24/678627124.db2.gz OZDUGNTULZZPFD-GFCCVEGCSA-N 1 2 278.377 1.332 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2COC)C1 ZINC001015990694 678627126 /nfs/dbraw/zinc/62/71/26/678627126.db2.gz OZDUGNTULZZPFD-GFCCVEGCSA-N 1 2 278.377 1.332 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1C1CC1 ZINC001032590289 678642199 /nfs/dbraw/zinc/64/21/99/678642199.db2.gz WBPMCFVMTWLMRJ-STQMWFEESA-N 1 2 270.332 1.689 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1C1CC1 ZINC001032590289 678642200 /nfs/dbraw/zinc/64/22/00/678642200.db2.gz WBPMCFVMTWLMRJ-STQMWFEESA-N 1 2 270.332 1.689 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(F)(F)F)no1 ZINC001038383510 678665548 /nfs/dbraw/zinc/66/55/48/678665548.db2.gz HOZJEWPXIVCQPU-MRVPVSSYSA-N 1 2 289.257 1.684 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(F)(F)F)no1 ZINC001038383510 678665550 /nfs/dbraw/zinc/66/55/50/678665550.db2.gz HOZJEWPXIVCQPU-MRVPVSSYSA-N 1 2 289.257 1.684 20 30 CDEDLO C#CC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000844047864 678668007 /nfs/dbraw/zinc/66/80/07/678668007.db2.gz WZXZLEDTUYBTKI-ZDUSSCGKSA-N 1 2 257.337 1.317 20 30 CDEDLO CN(C)c1cc(F)c(C[N@@H+]2CC[C@](O)(CC#N)C2)cc1F ZINC000862399858 678671532 /nfs/dbraw/zinc/67/15/32/678671532.db2.gz FJFPQBBUBZOTIF-OAHLLOKOSA-N 1 2 295.333 1.881 20 30 CDEDLO CN(C)c1cc(F)c(C[N@H+]2CC[C@](O)(CC#N)C2)cc1F ZINC000862399858 678671537 /nfs/dbraw/zinc/67/15/37/678671537.db2.gz FJFPQBBUBZOTIF-OAHLLOKOSA-N 1 2 295.333 1.881 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001038978282 678682265 /nfs/dbraw/zinc/68/22/65/678682265.db2.gz UKXBZLLFYMDGFU-OAHLLOKOSA-N 1 2 283.375 1.786 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001038978282 678682267 /nfs/dbraw/zinc/68/22/67/678682267.db2.gz UKXBZLLFYMDGFU-OAHLLOKOSA-N 1 2 283.375 1.786 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CC23CCOCC3)C1 ZINC001044378707 678684561 /nfs/dbraw/zinc/68/45/61/678684561.db2.gz YGSCXHDZFSMLQY-CQSZACIVSA-N 1 2 278.396 1.522 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001046325316 678697224 /nfs/dbraw/zinc/69/72/24/678697224.db2.gz VNEHLPPIJYBULN-UBHSHLNASA-N 1 2 284.787 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001046325316 678697227 /nfs/dbraw/zinc/69/72/27/678697227.db2.gz VNEHLPPIJYBULN-UBHSHLNASA-N 1 2 284.787 1.356 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCCN(C=O)CC2)cc1F ZINC000839022325 678708162 /nfs/dbraw/zinc/70/81/62/678708162.db2.gz RNBHJALTTHUHNX-UHFFFAOYSA-N 1 2 261.300 1.361 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCCN(C=O)CC2)cc1F ZINC000839022325 678708167 /nfs/dbraw/zinc/70/81/67/678708167.db2.gz RNBHJALTTHUHNX-UHFFFAOYSA-N 1 2 261.300 1.361 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000884087717 678717973 /nfs/dbraw/zinc/71/79/73/678717973.db2.gz MADWLLMXNSQMLQ-GWCFXTLKSA-N 1 2 280.368 1.223 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn(CC)cn1 ZINC001028267414 678732697 /nfs/dbraw/zinc/73/26/97/678732697.db2.gz JNRNDSRMWJRCMM-GFCCVEGCSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(CC)cn1 ZINC001028267414 678732700 /nfs/dbraw/zinc/73/27/00/678732700.db2.gz JNRNDSRMWJRCMM-GFCCVEGCSA-N 1 2 296.802 1.850 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](F)C1 ZINC001017856133 678755307 /nfs/dbraw/zinc/75/53/07/678755307.db2.gz OIMQAPQTTGVKHJ-RQJABVFESA-N 1 2 264.344 1.433 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](F)C1 ZINC001017856133 678755310 /nfs/dbraw/zinc/75/53/10/678755310.db2.gz OIMQAPQTTGVKHJ-RQJABVFESA-N 1 2 264.344 1.433 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2oc(C(C)C)nc2C)C1 ZINC000923559084 678757532 /nfs/dbraw/zinc/75/75/32/678757532.db2.gz DXBDTGBDZBAZIA-ZDUSSCGKSA-N 1 2 289.379 1.934 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2oc(C(C)C)nc2C)C1 ZINC000923559084 678757534 /nfs/dbraw/zinc/75/75/34/678757534.db2.gz DXBDTGBDZBAZIA-ZDUSSCGKSA-N 1 2 289.379 1.934 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001035470459 678792367 /nfs/dbraw/zinc/79/23/67/678792367.db2.gz MNMWONKBUXERMA-JHJVBQTASA-N 1 2 252.358 1.036 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001035470459 678792370 /nfs/dbraw/zinc/79/23/70/678792370.db2.gz MNMWONKBUXERMA-JHJVBQTASA-N 1 2 252.358 1.036 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](CN2C[C@@H]3CCCCN3C2=O)C1 ZINC000872624074 678798681 /nfs/dbraw/zinc/79/86/81/678798681.db2.gz HJONQKHVAFIPMW-KGLIPLIRSA-N 1 2 276.384 1.860 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](CN2C[C@@H]3CCCCN3C2=O)C1 ZINC000872624074 678798688 /nfs/dbraw/zinc/79/86/88/678798688.db2.gz HJONQKHVAFIPMW-KGLIPLIRSA-N 1 2 276.384 1.860 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc3n[nH]nc3c2)C1 ZINC001044283710 678804916 /nfs/dbraw/zinc/80/49/16/678804916.db2.gz GTQINCTUZXPQLC-UHFFFAOYSA-N 1 2 285.351 1.290 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001032536210 678811078 /nfs/dbraw/zinc/81/10/78/678811078.db2.gz BWAUGJUKCVWESU-RGHULWKBSA-N 1 2 258.365 1.341 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001032536210 678811079 /nfs/dbraw/zinc/81/10/79/678811079.db2.gz BWAUGJUKCVWESU-RGHULWKBSA-N 1 2 258.365 1.341 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccs2)C1 ZINC001035291856 678822250 /nfs/dbraw/zinc/82/22/50/678822250.db2.gz YOFUFHRXGSWJEP-GFCCVEGCSA-N 1 2 280.393 1.755 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cccs2)C1 ZINC001035291856 678822251 /nfs/dbraw/zinc/82/22/51/678822251.db2.gz YOFUFHRXGSWJEP-GFCCVEGCSA-N 1 2 280.393 1.755 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(F)c(COC)c2)C1 ZINC001030929919 678823197 /nfs/dbraw/zinc/82/31/97/678823197.db2.gz FRMUDESSIVUFFI-UHFFFAOYSA-N 1 2 292.354 1.962 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@H](OCCOC)C1 ZINC000189658944 678889845 /nfs/dbraw/zinc/88/98/45/678889845.db2.gz XYVFTGHJEFDXIO-JTQLQIEISA-N 1 2 264.163 1.632 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@H](OCCOC)C1 ZINC000189658944 678889848 /nfs/dbraw/zinc/88/98/48/678889848.db2.gz XYVFTGHJEFDXIO-JTQLQIEISA-N 1 2 264.163 1.632 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(C)c1C ZINC001032422202 678893526 /nfs/dbraw/zinc/89/35/26/678893526.db2.gz OCIYNSPZEFIMSE-STQMWFEESA-N 1 2 274.389 1.897 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(C)c1C ZINC001032422202 678893530 /nfs/dbraw/zinc/89/35/30/678893530.db2.gz OCIYNSPZEFIMSE-STQMWFEESA-N 1 2 274.389 1.897 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCCO[C@H]2C(=C)C)C1 ZINC001031077161 678899217 /nfs/dbraw/zinc/89/92/17/678899217.db2.gz IZZOTGYFUCGDLH-GJZGRUSLSA-N 1 2 276.380 1.181 20 30 CDEDLO COc1cccc(O)c1/C=N/CC[NH+]1CCOCC1 ZINC000812389431 678910103 /nfs/dbraw/zinc/91/01/03/678910103.db2.gz JBSXGTGRMCDQQN-RVDMUPIBSA-N 1 2 264.325 1.152 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2conc2C)C1 ZINC001046583037 678913489 /nfs/dbraw/zinc/91/34/89/678913489.db2.gz LNLVJFVAFQFDGN-CYBMUJFWSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2conc2C)C1 ZINC001046583037 678913494 /nfs/dbraw/zinc/91/34/94/678913494.db2.gz LNLVJFVAFQFDGN-CYBMUJFWSA-N 1 2 283.759 1.930 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C)nc1C(C)C ZINC001032664628 678919356 /nfs/dbraw/zinc/91/93/56/678919356.db2.gz KWIJYWDQUNZSTD-KBPBESRZSA-N 1 2 298.390 1.440 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C)nc1C(C)C ZINC001032664628 678919362 /nfs/dbraw/zinc/91/93/62/678919362.db2.gz KWIJYWDQUNZSTD-KBPBESRZSA-N 1 2 298.390 1.440 20 30 CDEDLO C=CC[N@@H+](C)CN1C(=O)C2(CCOCC2)[C@@H]1C1CC1 ZINC000840050724 678937141 /nfs/dbraw/zinc/93/71/41/678937141.db2.gz YTSXSSUTSPDQCB-ZDUSSCGKSA-N 1 2 264.369 1.479 20 30 CDEDLO C=CC[N@H+](C)CN1C(=O)C2(CCOCC2)[C@@H]1C1CC1 ZINC000840050724 678937145 /nfs/dbraw/zinc/93/71/45/678937145.db2.gz YTSXSSUTSPDQCB-ZDUSSCGKSA-N 1 2 264.369 1.479 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001042578110 678937807 /nfs/dbraw/zinc/93/78/07/678937807.db2.gz HTCYHXULFUBMJF-UHFFFAOYSA-N 1 2 250.386 1.997 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C(C)C)C[C@@H]21 ZINC001074174309 678971083 /nfs/dbraw/zinc/97/10/83/678971083.db2.gz NLKWTTLDFJEZJP-KBPBESRZSA-N 1 2 266.385 1.520 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(=O)[nH]c3c2CCCC3)C1 ZINC001031492991 678984451 /nfs/dbraw/zinc/98/44/51/678984451.db2.gz ASOUFPHNIVGGHH-UHFFFAOYSA-N 1 2 299.374 1.103 20 30 CDEDLO COC(=O)CCn1nc(C)c(C[NH2+]CCC#N)c1C ZINC000425974913 678987095 /nfs/dbraw/zinc/98/70/95/678987095.db2.gz AYJQEKCQQSOIHU-UHFFFAOYSA-N 1 2 264.329 1.066 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OCC)c(C)c1 ZINC001032659636 678991873 /nfs/dbraw/zinc/99/18/73/678991873.db2.gz FETHBPACXAKLSK-HOTGVXAUSA-N 1 2 298.386 1.926 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OCC)c(C)c1 ZINC001032659636 678991874 /nfs/dbraw/zinc/99/18/74/678991874.db2.gz FETHBPACXAKLSK-HOTGVXAUSA-N 1 2 298.386 1.926 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cncc(OC)c1C ZINC001038403176 678997280 /nfs/dbraw/zinc/99/72/80/678997280.db2.gz BVEATWNFANPDGN-CYBMUJFWSA-N 1 2 287.363 1.226 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncc(OC)c1C ZINC001038403176 678997282 /nfs/dbraw/zinc/99/72/82/678997282.db2.gz BVEATWNFANPDGN-CYBMUJFWSA-N 1 2 287.363 1.226 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1snnc1C(C)C ZINC001028220018 679005323 /nfs/dbraw/zinc/00/53/23/679005323.db2.gz MHJDRNKXIVEAPT-NSHDSACASA-N 1 2 292.408 1.489 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1snnc1C(C)C ZINC001028220018 679005327 /nfs/dbraw/zinc/00/53/27/679005327.db2.gz MHJDRNKXIVEAPT-NSHDSACASA-N 1 2 292.408 1.489 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001031258251 679008126 /nfs/dbraw/zinc/00/81/26/679008126.db2.gz LHJUPLRGJPWNBH-GFCCVEGCSA-N 1 2 276.405 1.984 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001039078077 679009306 /nfs/dbraw/zinc/00/93/06/679009306.db2.gz KRXZYAZAROFZLS-HRCADAONSA-N 1 2 286.350 1.753 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001039078077 679009309 /nfs/dbraw/zinc/00/93/09/679009309.db2.gz KRXZYAZAROFZLS-HRCADAONSA-N 1 2 286.350 1.753 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2c(C)noc2C2CC2)C1 ZINC000923566412 679039808 /nfs/dbraw/zinc/03/98/08/679039808.db2.gz POCPGVLIXIUCQH-CYBMUJFWSA-N 1 2 287.363 1.688 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)noc2C2CC2)C1 ZINC000923566412 679039811 /nfs/dbraw/zinc/03/98/11/679039811.db2.gz POCPGVLIXIUCQH-CYBMUJFWSA-N 1 2 287.363 1.688 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cccc3c[nH]nc32)CC1 ZINC000068444822 679051421 /nfs/dbraw/zinc/05/14/21/679051421.db2.gz QUQUXYITOQUWCR-UHFFFAOYSA-N 1 2 282.347 1.344 20 30 CDEDLO C[C@H](CC(=O)N1CCN(C2CC2)[C@H](C#N)C1)n1cc[nH+]c1 ZINC000844387885 679062294 /nfs/dbraw/zinc/06/22/94/679062294.db2.gz XPPNTDQHBULOHE-TZMCWYRMSA-N 1 2 287.367 1.033 20 30 CDEDLO Cc1ccc(C#N)cc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000823628098 679090669 /nfs/dbraw/zinc/09/06/69/679090669.db2.gz RZDFMIQVLJAKHO-CYBMUJFWSA-N 1 2 280.331 1.808 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2c1CCOC2 ZINC001038498353 679118834 /nfs/dbraw/zinc/11/88/34/679118834.db2.gz ZOEUIDVKEXKKOV-HNNXBMFYSA-N 1 2 298.386 1.587 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2c1CCOC2 ZINC001038498353 679118835 /nfs/dbraw/zinc/11/88/35/679118835.db2.gz ZOEUIDVKEXKKOV-HNNXBMFYSA-N 1 2 298.386 1.587 20 30 CDEDLO N#Cc1ccc([C@@H](O)C[NH2+]Cc2nc(C3CC3)no2)cc1 ZINC000818965840 679123351 /nfs/dbraw/zinc/12/33/51/679123351.db2.gz KSGSDZVKKLNEJV-ZDUSSCGKSA-N 1 2 284.319 1.642 20 30 CDEDLO C=C(C)CN1CC(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001030312917 679130285 /nfs/dbraw/zinc/13/02/85/679130285.db2.gz SJSAZMFYDZWJGL-UHFFFAOYSA-N 1 2 284.363 1.633 20 30 CDEDLO CN(C)c1ncc(C=[NH+]Nc2ccnc3ccccc32)n1C ZINC000811641765 679133153 /nfs/dbraw/zinc/13/31/53/679133153.db2.gz PKYNRMKAWKXNJE-UHFFFAOYSA-N 1 2 294.362 1.902 20 30 CDEDLO CN(C)c1ncc(C=[NH+][N-]c2cc[nH+]c3ccccc23)n1C ZINC000811641765 679133154 /nfs/dbraw/zinc/13/31/54/679133154.db2.gz PKYNRMKAWKXNJE-UHFFFAOYSA-N 1 2 294.362 1.902 20 30 CDEDLO CCN1CC[C@@H]([NH+]2CCN(c3ccc(C#N)cc3)CC2)C1=O ZINC000879586308 679137926 /nfs/dbraw/zinc/13/79/26/679137926.db2.gz BYQXTFBGQYBQMF-MRXNPFEDSA-N 1 2 298.390 1.301 20 30 CDEDLO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2ncccn2)cc1 ZINC000853112988 679142560 /nfs/dbraw/zinc/14/25/60/679142560.db2.gz QSXYWEMEIPTOOC-CQSZACIVSA-N 1 2 298.346 1.072 20 30 CDEDLO Cc1nc(N(C)[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001061175127 679158274 /nfs/dbraw/zinc/15/82/74/679158274.db2.gz DOTFXCSETWYLKB-DGCLKSJQSA-N 1 2 287.367 1.372 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2ncsc2c1 ZINC001038992118 679163646 /nfs/dbraw/zinc/16/36/46/679163646.db2.gz OJEGHGLOHDXRPZ-GFCCVEGCSA-N 1 2 285.372 1.734 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2ncsc2c1 ZINC001038992118 679163648 /nfs/dbraw/zinc/16/36/48/679163648.db2.gz OJEGHGLOHDXRPZ-GFCCVEGCSA-N 1 2 285.372 1.734 20 30 CDEDLO C#CC[NH+]1CCN(c2cc(C(C)(C)C)ncn2)CC1 ZINC000853131534 679164913 /nfs/dbraw/zinc/16/49/13/679164913.db2.gz JULHKUSOUDMPTB-UHFFFAOYSA-N 1 2 258.369 1.529 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@]2(C)CCOc3ccccc32)C1 ZINC001031263859 679165393 /nfs/dbraw/zinc/16/53/93/679165393.db2.gz DAETZWJCMGPUAY-SFHVURJKSA-N 1 2 298.386 1.551 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2CCOC[C@@H]2OCC)C1 ZINC001030693577 679180017 /nfs/dbraw/zinc/18/00/17/679180017.db2.gz PLCMJXOHLPKODI-HIFRSBDPSA-N 1 2 296.411 1.195 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001035490936 679194872 /nfs/dbraw/zinc/19/48/72/679194872.db2.gz YINQUGUMMMSJGJ-ZIAGYGMSSA-N 1 2 280.412 1.816 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001035490936 679194876 /nfs/dbraw/zinc/19/48/76/679194876.db2.gz YINQUGUMMMSJGJ-ZIAGYGMSSA-N 1 2 280.412 1.816 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)ccc1CC ZINC001038462414 679202303 /nfs/dbraw/zinc/20/23/03/679202303.db2.gz IKOLZDFDPIRZFI-CQSZACIVSA-N 1 2 274.339 1.825 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)ccc1CC ZINC001038462414 679202306 /nfs/dbraw/zinc/20/23/06/679202306.db2.gz IKOLZDFDPIRZFI-CQSZACIVSA-N 1 2 274.339 1.825 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)Cc1cccs1 ZINC000884058779 679206175 /nfs/dbraw/zinc/20/61/75/679206175.db2.gz UZWXIHJLZVJPPU-LBPRGKRZSA-N 1 2 296.392 1.543 20 30 CDEDLO C#CCC[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]cc2ncnc1-2 ZINC001027900165 679207598 /nfs/dbraw/zinc/20/75/98/679207598.db2.gz WVRUIHKPHPULRQ-LBPRGKRZSA-N 1 2 297.362 1.175 20 30 CDEDLO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]cc2ncnc1-2 ZINC001027900165 679207600 /nfs/dbraw/zinc/20/76/00/679207600.db2.gz WVRUIHKPHPULRQ-LBPRGKRZSA-N 1 2 297.362 1.175 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnoc1C(C)C ZINC001032712193 679209646 /nfs/dbraw/zinc/20/96/46/679209646.db2.gz MMXRVPRVMSQWRB-STQMWFEESA-N 1 2 287.363 1.720 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnoc1C(C)C ZINC001032712193 679209649 /nfs/dbraw/zinc/20/96/49/679209649.db2.gz MMXRVPRVMSQWRB-STQMWFEESA-N 1 2 287.363 1.720 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC2(CCC2)C1 ZINC001032572313 679365809 /nfs/dbraw/zinc/36/58/09/679365809.db2.gz NKDMYYFTNZILRE-GJZGRUSLSA-N 1 2 272.392 1.875 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC2(CCC2)C1 ZINC001032572313 679365811 /nfs/dbraw/zinc/36/58/11/679365811.db2.gz NKDMYYFTNZILRE-GJZGRUSLSA-N 1 2 272.392 1.875 20 30 CDEDLO C=C1CCC(C(=O)NC[C@@H]2COCC[N@H+]2CCCF)CC1 ZINC001051100125 679371091 /nfs/dbraw/zinc/37/10/91/679371091.db2.gz PISFIUUIAVUJPQ-OAHLLOKOSA-N 1 2 298.402 1.909 20 30 CDEDLO C=C1CCC(C(=O)NC[C@@H]2COCC[N@@H+]2CCCF)CC1 ZINC001051100125 679371093 /nfs/dbraw/zinc/37/10/93/679371093.db2.gz PISFIUUIAVUJPQ-OAHLLOKOSA-N 1 2 298.402 1.909 20 30 CDEDLO C#CC1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000826046310 679378376 /nfs/dbraw/zinc/37/83/76/679378376.db2.gz NXBPTXDIWOWXLW-UHFFFAOYSA-N 1 2 293.411 1.152 20 30 CDEDLO C#CC1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000826046310 679378378 /nfs/dbraw/zinc/37/83/78/679378378.db2.gz NXBPTXDIWOWXLW-UHFFFAOYSA-N 1 2 293.411 1.152 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2csc3cncn32)C1 ZINC001043994525 679381043 /nfs/dbraw/zinc/38/10/43/679381043.db2.gz JSEAJGZBJPBUJC-UHFFFAOYSA-N 1 2 288.376 1.175 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc(C)s2)[C@@H]1C ZINC000993128392 679381840 /nfs/dbraw/zinc/38/18/40/679381840.db2.gz MYPZSEUFKAMOCL-CMPLNLGQSA-N 1 2 277.393 1.667 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc(C)s2)[C@@H]1C ZINC000993128392 679381842 /nfs/dbraw/zinc/38/18/42/679381842.db2.gz MYPZSEUFKAMOCL-CMPLNLGQSA-N 1 2 277.393 1.667 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCC[C@H](C)C1 ZINC000884076258 679382970 /nfs/dbraw/zinc/38/29/70/679382970.db2.gz WNZDFNGJQXSHQO-SRVKXCTJSA-N 1 2 268.357 1.128 20 30 CDEDLO C=C(C)C[C@@H](CO)Nc1cc(CC(=O)OC)cc[nH+]1 ZINC000883005589 679390153 /nfs/dbraw/zinc/39/01/53/679390153.db2.gz ROQCCNDPPUEPQT-LBPRGKRZSA-N 1 2 264.325 1.536 20 30 CDEDLO C=C[C@@H](C)ONC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000845622709 679392601 /nfs/dbraw/zinc/39/26/01/679392601.db2.gz LLLOESVCKTXXKB-DGCLKSJQSA-N 1 2 277.324 1.750 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccnc(C)n1 ZINC001028324266 679393609 /nfs/dbraw/zinc/39/36/09/679393609.db2.gz BJVFRTYTXAPEKA-LBPRGKRZSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccnc(C)n1 ZINC001028324266 679393611 /nfs/dbraw/zinc/39/36/11/679393611.db2.gz BJVFRTYTXAPEKA-LBPRGKRZSA-N 1 2 294.786 1.732 20 30 CDEDLO CCc1nnc(CO[NH+]=C(N)c2ccc(OC)cc2)s1 ZINC000784046954 679409506 /nfs/dbraw/zinc/40/95/06/679409506.db2.gz HJJGJCXLZWUKMC-UHFFFAOYSA-N 1 2 292.364 1.946 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2cccc(NC(C)=O)c2)C1 ZINC001031289236 679417078 /nfs/dbraw/zinc/41/70/78/679417078.db2.gz VAJILZIRDOAWRF-UHFFFAOYSA-N 1 2 299.374 1.011 20 30 CDEDLO NC(Cc1cccnc1)=[NH+]OCC(=O)N1CCCCCC1 ZINC000128425001 679417169 /nfs/dbraw/zinc/41/71/69/679417169.db2.gz XJUMVEVJCAKEQS-UHFFFAOYSA-N 1 2 290.367 1.316 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC(CC1)CC2 ZINC001032795283 679420159 /nfs/dbraw/zinc/42/01/59/679420159.db2.gz DCBMVVAIRKOAHF-GWUWNPHMSA-N 1 2 272.392 1.875 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC(CC1)CC2 ZINC001032795283 679420162 /nfs/dbraw/zinc/42/01/62/679420162.db2.gz DCBMVVAIRKOAHF-GWUWNPHMSA-N 1 2 272.392 1.875 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cncnc1C(C)C ZINC001039017444 679424126 /nfs/dbraw/zinc/42/41/26/679424126.db2.gz GZJQFAARUCOZCA-LBPRGKRZSA-N 1 2 272.352 1.037 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cncnc1C(C)C ZINC001039017444 679424128 /nfs/dbraw/zinc/42/41/28/679424128.db2.gz GZJQFAARUCOZCA-LBPRGKRZSA-N 1 2 272.352 1.037 20 30 CDEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)CC3CC3)C2)CC1 ZINC001051965857 679441487 /nfs/dbraw/zinc/44/14/87/679441487.db2.gz DMXGIADMDOFMTK-INIZCTEOSA-N 1 2 289.423 1.028 20 30 CDEDLO C[C@H](c1ncccn1)[N@H+](C)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971511877 679446603 /nfs/dbraw/zinc/44/66/03/679446603.db2.gz SRIFOMQQYOBJSN-HIFRSBDPSA-N 1 2 298.390 1.484 20 30 CDEDLO C[C@H](c1ncccn1)[N@@H+](C)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971511877 679446605 /nfs/dbraw/zinc/44/66/05/679446605.db2.gz SRIFOMQQYOBJSN-HIFRSBDPSA-N 1 2 298.390 1.484 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(C(C)(C)C)n1 ZINC001038240956 679476006 /nfs/dbraw/zinc/47/60/06/679476006.db2.gz MRFONIPBRZLOCL-LLVKDONJSA-N 1 2 277.368 1.962 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(C(C)(C)C)n1 ZINC001038240956 679476008 /nfs/dbraw/zinc/47/60/08/679476008.db2.gz MRFONIPBRZLOCL-LLVKDONJSA-N 1 2 277.368 1.962 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000158875082 679483764 /nfs/dbraw/zinc/48/37/64/679483764.db2.gz LCSIIHBDIZGXET-VXGBXAGGSA-N 1 2 270.373 1.786 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000158875082 679483769 /nfs/dbraw/zinc/48/37/69/679483769.db2.gz LCSIIHBDIZGXET-VXGBXAGGSA-N 1 2 270.373 1.786 20 30 CDEDLO C#Cc1ccc(C[NH+]2CCN(CCCCO)CC2)cc1 ZINC000809574055 679484190 /nfs/dbraw/zinc/48/41/90/679484190.db2.gz FHAOOKGHHFSZGD-UHFFFAOYSA-N 1 2 272.392 1.558 20 30 CDEDLO Cn1c[nH+]cc1CCOC(=O)c1cccc(C#N)c1 ZINC000789777644 679491251 /nfs/dbraw/zinc/49/12/51/679491251.db2.gz UGYULUBDEJGPOI-UHFFFAOYSA-N 1 2 255.277 1.691 20 30 CDEDLO C#CCCN(CCOC)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000856391623 679496714 /nfs/dbraw/zinc/49/67/14/679496714.db2.gz XEUYTQTXTZFKNP-GFCCVEGCSA-N 1 2 263.341 1.087 20 30 CDEDLO C#CCCN(CCOC)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000856391623 679496715 /nfs/dbraw/zinc/49/67/15/679496715.db2.gz XEUYTQTXTZFKNP-GFCCVEGCSA-N 1 2 263.341 1.087 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000854043582 679499618 /nfs/dbraw/zinc/49/96/18/679499618.db2.gz NJFYVRHYFUJPLE-GXTWGEPZSA-N 1 2 271.364 1.602 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000854043582 679499621 /nfs/dbraw/zinc/49/96/21/679499621.db2.gz NJFYVRHYFUJPLE-GXTWGEPZSA-N 1 2 271.364 1.602 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](CCOC)[C@@H]2C1 ZINC001074311821 679500968 /nfs/dbraw/zinc/50/09/68/679500968.db2.gz CSKCVKVZLNDYFR-ZIAGYGMSSA-N 1 2 296.411 1.147 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](CCOC)[C@@H]2C1 ZINC001074311821 679500970 /nfs/dbraw/zinc/50/09/70/679500970.db2.gz CSKCVKVZLNDYFR-ZIAGYGMSSA-N 1 2 296.411 1.147 20 30 CDEDLO C#CCC[C@H](O)CNC(=O)NCc1c[nH+]c(C)cc1C ZINC000838720755 679501454 /nfs/dbraw/zinc/50/14/54/679501454.db2.gz QUZKVYVMZRRTHB-AWEZNQCLSA-N 1 2 275.352 1.272 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCc2ccccn2)cc1 ZINC000180623437 679514268 /nfs/dbraw/zinc/51/42/68/679514268.db2.gz GHGUFBKEPRNBOT-UHFFFAOYSA-N 1 2 257.293 1.927 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnoc1C(C)C ZINC001038873963 679522044 /nfs/dbraw/zinc/52/20/44/679522044.db2.gz MSKWGHBHMLOQCN-LBPRGKRZSA-N 1 2 275.352 1.625 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnoc1C(C)C ZINC001038873963 679522047 /nfs/dbraw/zinc/52/20/47/679522047.db2.gz MSKWGHBHMLOQCN-LBPRGKRZSA-N 1 2 275.352 1.625 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000121417815 679525315 /nfs/dbraw/zinc/52/53/15/679525315.db2.gz ODHRFVQBOVFIKS-UHFFFAOYSA-N 1 2 287.363 1.635 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000121417815 679525319 /nfs/dbraw/zinc/52/53/19/679525319.db2.gz ODHRFVQBOVFIKS-UHFFFAOYSA-N 1 2 287.363 1.635 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@@H](OC)C2)C1 ZINC001043688414 679535924 /nfs/dbraw/zinc/53/59/24/679535924.db2.gz ROOUPDATNKZTLR-TZMCWYRMSA-N 1 2 266.385 1.520 20 30 CDEDLO COc1cc(C[NH2+][C@H](C)c2nnnn2C2CC2)ccc1C#N ZINC000799342482 679548109 /nfs/dbraw/zinc/54/81/09/679548109.db2.gz ROCTUXVTUQXMPO-SNVBAGLBSA-N 1 2 298.350 1.739 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C(F)(F)F ZINC001032570675 679556419 /nfs/dbraw/zinc/55/64/19/679556419.db2.gz FHSHFAKYFBXSLK-DCAQKATOSA-N 1 2 274.286 1.493 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C(F)(F)F ZINC001032570675 679556421 /nfs/dbraw/zinc/55/64/21/679556421.db2.gz FHSHFAKYFBXSLK-DCAQKATOSA-N 1 2 274.286 1.493 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1O ZINC001032368864 679575740 /nfs/dbraw/zinc/57/57/40/679575740.db2.gz KGJRCCILTIZYQG-RYUDHWBXSA-N 1 2 273.336 1.262 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1O ZINC001032368864 679575742 /nfs/dbraw/zinc/57/57/42/679575742.db2.gz KGJRCCILTIZYQG-RYUDHWBXSA-N 1 2 273.336 1.262 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC1(F)F ZINC001027875055 679596235 /nfs/dbraw/zinc/59/62/35/679596235.db2.gz SLKUZCVRTNVNMF-VHSXEESVSA-N 1 2 278.730 1.975 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC1(F)F ZINC001027875055 679596236 /nfs/dbraw/zinc/59/62/36/679596236.db2.gz SLKUZCVRTNVNMF-VHSXEESVSA-N 1 2 278.730 1.975 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ncn(C)n2)[C@@H]1C ZINC000993298790 679597437 /nfs/dbraw/zinc/59/74/37/679597437.db2.gz MGMOGICJUUTXDB-QWRGUYRKSA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ncn(C)n2)[C@@H]1C ZINC000993298790 679597438 /nfs/dbraw/zinc/59/74/38/679597438.db2.gz MGMOGICJUUTXDB-QWRGUYRKSA-N 1 2 297.790 1.150 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CCNc1nc(C)ccc1C#N ZINC000872772299 679637893 /nfs/dbraw/zinc/63/78/93/679637893.db2.gz TWLNXOBEVPRITF-AWEZNQCLSA-N 1 2 274.368 1.784 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CCNc1nc(C)ccc1C#N ZINC000872772299 679637896 /nfs/dbraw/zinc/63/78/96/679637896.db2.gz TWLNXOBEVPRITF-AWEZNQCLSA-N 1 2 274.368 1.784 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccccn2)no1 ZINC001038863986 679638688 /nfs/dbraw/zinc/63/86/88/679638688.db2.gz GLPSPJZYXZORDR-LBPRGKRZSA-N 1 2 298.346 1.727 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccccn2)no1 ZINC001038863986 679638689 /nfs/dbraw/zinc/63/86/89/679638689.db2.gz GLPSPJZYXZORDR-LBPRGKRZSA-N 1 2 298.346 1.727 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)C1CCC1 ZINC001032546547 679646658 /nfs/dbraw/zinc/64/66/58/679646658.db2.gz VPBHDMYZBRAEBG-SOUVJXGZSA-N 1 2 276.380 1.110 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)C1CCC1 ZINC001032546547 679646660 /nfs/dbraw/zinc/64/66/60/679646660.db2.gz VPBHDMYZBRAEBG-SOUVJXGZSA-N 1 2 276.380 1.110 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3C[C@H](NCC#N)[C@@H](C)C3)ccn12 ZINC001054662756 679655884 /nfs/dbraw/zinc/65/58/84/679655884.db2.gz TYQFMGOHMUHMIS-FZMZJTMJSA-N 1 2 297.362 1.216 20 30 CDEDLO Cc1nc(N2CC[C@@H](C)[C@@H](NC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001114021274 1162402215 /nfs/dbraw/zinc/40/22/15/1162402215.db2.gz KLPOHARYFSZWCK-DOMZBBRYSA-N 1 2 298.390 1.529 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3nnc(C)[nH]3)C[C@H]21 ZINC001114025805 1162404245 /nfs/dbraw/zinc/40/42/45/1162404245.db2.gz QPPGAQZMOIJYMZ-WUWHUORYSA-N 1 2 289.383 1.187 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3nnc(C)[nH]3)C[C@H]21 ZINC001114025805 1162404247 /nfs/dbraw/zinc/40/42/47/1162404247.db2.gz QPPGAQZMOIJYMZ-WUWHUORYSA-N 1 2 289.383 1.187 20 30 CDEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)/C=C(/C)CC)CC1 ZINC001131357099 1162871488 /nfs/dbraw/zinc/87/14/88/1162871488.db2.gz HCEUGHIIOGAYMP-YPKPFQOOSA-N 1 2 293.411 1.179 20 30 CDEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)/C=C(/C)CC)CC1 ZINC001131357099 1162871497 /nfs/dbraw/zinc/87/14/97/1162871497.db2.gz HCEUGHIIOGAYMP-YPKPFQOOSA-N 1 2 293.411 1.179 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)F)C1 ZINC001107687098 1161322900 /nfs/dbraw/zinc/32/29/00/1161322900.db2.gz HMFDAOHQZWKDDI-CYBMUJFWSA-N 1 2 258.337 1.128 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)F)C1 ZINC001107687098 1161322902 /nfs/dbraw/zinc/32/29/02/1161322902.db2.gz HMFDAOHQZWKDDI-CYBMUJFWSA-N 1 2 258.337 1.128 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](OC)[C@@H](C)CC)CC1 ZINC001113045129 1162084933 /nfs/dbraw/zinc/08/49/33/1162084933.db2.gz ZQWKFNZWWLCIKS-QWHCGFSZSA-N 1 2 254.374 1.378 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC001170164225 1162269221 /nfs/dbraw/zinc/26/92/21/1162269221.db2.gz FDPDUWAEMPHVRE-MXWKQRLJSA-N 1 2 261.387 1.395 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001132668054 1163432898 /nfs/dbraw/zinc/43/28/98/1163432898.db2.gz ZSHQAFSBFYTWKM-GHMZBOCLSA-N 1 2 280.372 1.747 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+]Cc1nn(C)cc1Cl ZINC001133143293 1163583458 /nfs/dbraw/zinc/58/34/58/1163583458.db2.gz UEKBZHHBMCXZPP-UHFFFAOYSA-N 1 2 284.791 1.636 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001134053186 1164021731 /nfs/dbraw/zinc/02/17/31/1164021731.db2.gz OKCXYMUSYULOIF-XQQFMLRXSA-N 1 2 293.367 1.341 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001252594194 1164559917 /nfs/dbraw/zinc/55/99/17/1164559917.db2.gz UIFPXUBXGKVEFK-MXWKQRLJSA-N 1 2 285.281 1.651 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001252594194 1164559920 /nfs/dbraw/zinc/55/99/20/1164559920.db2.gz UIFPXUBXGKVEFK-MXWKQRLJSA-N 1 2 285.281 1.651 20 30 CDEDLO Cc1cc[nH+]c(NCC(C)(C)CC#N)c1-c1nn[nH]n1 ZINC001609438719 1164949470 /nfs/dbraw/zinc/94/94/70/1164949470.db2.gz DNTRVCFLNJIDHX-UHFFFAOYSA-N 1 2 271.328 1.922 20 30 CDEDLO Cc1nc(N2CC[C@H](NC(=O)C#CC3CC3)C2)c(C)c(C)[nH+]1 ZINC001096364296 1166956959 /nfs/dbraw/zinc/95/69/59/1166956959.db2.gz HDPLLLWWEJPUJE-HNNXBMFYSA-N 1 2 298.390 1.510 20 30 CDEDLO N#Cc1c[nH]nc1NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001643360915 1167245025 /nfs/dbraw/zinc/24/50/25/1167245025.db2.gz OQBZWEBNNOPKJM-UHFFFAOYSA-N 1 2 294.274 1.425 20 30 CDEDLO CCS(=O)(=O)C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001645801662 1167512966 /nfs/dbraw/zinc/51/29/66/1167512966.db2.gz QVNMVSDWPHDCCK-NEPJUHHUSA-N 1 2 270.398 1.578 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(OCC#N)cc1 ZINC001647363053 1168612342 /nfs/dbraw/zinc/61/23/42/1168612342.db2.gz PQYPRYPRAUGGEO-UHFFFAOYSA-N 1 2 285.307 1.644 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(-c2nn[nH]n2)n1 ZINC001590419113 1173401855 /nfs/dbraw/zinc/40/18/55/1173401855.db2.gz CRIQHIJJFWWKNY-VIFPVBQESA-N 1 2 257.301 1.044 20 30 CDEDLO C#CC[NH2+][C@@H](C)CCNC(=O)C(F)C(F)(F)F ZINC001717340798 1180623433 /nfs/dbraw/zinc/62/34/33/1180623433.db2.gz YTQUEPLPIJXIQP-JGVFFNPUSA-N 1 2 254.227 1.004 20 30 CDEDLO C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H](F)C(F)(F)F ZINC001717340798 1180623436 /nfs/dbraw/zinc/62/34/36/1180623436.db2.gz YTQUEPLPIJXIQP-JGVFFNPUSA-N 1 2 254.227 1.004 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccn(C)c1 ZINC001733032844 1183252030 /nfs/dbraw/zinc/25/20/30/1183252030.db2.gz HZKLMVHXMYFDQA-LLVKDONJSA-N 1 2 269.776 1.828 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccn(C)c1 ZINC001733032844 1183252035 /nfs/dbraw/zinc/25/20/35/1183252035.db2.gz HZKLMVHXMYFDQA-LLVKDONJSA-N 1 2 269.776 1.828 20 30 CDEDLO CC#CCCCC(=O)NC[C@@H](C)[NH2+][C@H](C)c1nc(C)no1 ZINC001752894947 1184954404 /nfs/dbraw/zinc/95/44/04/1184954404.db2.gz YBUBTPMVGBPGII-VXGBXAGGSA-N 1 2 292.383 1.727 20 30 CDEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)C1(C)CCCC1 ZINC001753342301 1185163559 /nfs/dbraw/zinc/16/35/59/1185163559.db2.gz OQFPATFNFBPYSD-UHFFFAOYSA-N 1 2 292.427 1.166 20 30 CDEDLO C=C(C)CCC(=O)NCC1C[NH+](Cc2cncn2C)C1 ZINC001753404310 1185189015 /nfs/dbraw/zinc/18/90/15/1185189015.db2.gz ATAPARDGOPJPKF-UHFFFAOYSA-N 1 2 276.384 1.324 20 30 CDEDLO Cc1cnc([C@@H](C)[NH2+]C/C=C/CNC(=O)C#CC2CC2)o1 ZINC001754119879 1185473596 /nfs/dbraw/zinc/47/35/96/1185473596.db2.gz REJQRQHIBVJXCU-ITDFMYJTSA-N 1 2 287.363 1.719 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)Cc1cnnn1C ZINC001754328867 1185579694 /nfs/dbraw/zinc/57/96/94/1185579694.db2.gz QVWFHVOAFFVAAP-LBPRGKRZSA-N 1 2 293.415 1.354 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1cnnn1C ZINC001754328867 1185579699 /nfs/dbraw/zinc/57/96/99/1185579699.db2.gz QVWFHVOAFFVAAP-LBPRGKRZSA-N 1 2 293.415 1.354 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)CCC[NH2+]CC(F)(F)C(F)F ZINC001754363248 1185597757 /nfs/dbraw/zinc/59/77/57/1185597757.db2.gz OQUYWAHFYSOIKB-QMMMGPOBSA-N 1 2 283.269 1.485 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](CC)OC1CCCCC1 ZINC001754481758 1185637564 /nfs/dbraw/zinc/63/75/64/1185637564.db2.gz BGOGYIUKBKUMCR-GOEBONIOSA-N 1 2 292.423 1.938 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](CC)OC1CCCCC1 ZINC001754481758 1185637566 /nfs/dbraw/zinc/63/75/66/1185637566.db2.gz BGOGYIUKBKUMCR-GOEBONIOSA-N 1 2 292.423 1.938 20 30 CDEDLO C=CC[NH+]1CCN([C@H](F)Oc2ccc(Cl)nn2)CC1 ZINC001165035816 721873400 /nfs/dbraw/zinc/87/34/00/721873400.db2.gz XCNYQYNWPWCRDP-LBPRGKRZSA-N 1 2 286.738 1.566 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001252594193 1164559719 /nfs/dbraw/zinc/55/97/19/1164559719.db2.gz UIFPXUBXGKVEFK-DCAQKATOSA-N 1 2 285.281 1.651 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001252594193 1164559724 /nfs/dbraw/zinc/55/97/24/1164559724.db2.gz UIFPXUBXGKVEFK-DCAQKATOSA-N 1 2 285.281 1.651 20 30 CDEDLO C[C@@H](C#N)C[NH2+]C1CC[NH+](CCCC(=O)[O-])CC1 ZINC001609630854 1165020864 /nfs/dbraw/zinc/02/08/64/1165020864.db2.gz HEMSEBPQDZTTRI-NSHDSACASA-N 1 2 253.346 1.065 20 30 CDEDLO CCC[C@@H](O)C[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001252785632 1165303816 /nfs/dbraw/zinc/30/38/16/1165303816.db2.gz DGHGCMRIQSRDGK-CYBMUJFWSA-N 1 2 260.337 1.782 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c1 ZINC001232679087 912383672 /nfs/dbraw/zinc/38/36/72/912383672.db2.gz ZVSQBJDWGQOHBO-WFASDCNBSA-N 1 2 258.321 1.875 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)c1 ZINC001232679087 912383688 /nfs/dbraw/zinc/38/36/88/912383688.db2.gz ZVSQBJDWGQOHBO-WFASDCNBSA-N 1 2 258.321 1.875 20 30 CDEDLO C=CCOC1CCC([NH2+][C@@H](CO)C(=O)OC(C)(C)C)CC1 ZINC001173314015 912392805 /nfs/dbraw/zinc/39/28/05/912392805.db2.gz HOQWJNNPKZJHFS-RUXDESIVSA-N 1 2 299.411 1.792 20 30 CDEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(F)CC2)c1 ZINC000689903549 912671784 /nfs/dbraw/zinc/67/17/84/912671784.db2.gz IMDZJTVSBATYBQ-UHFFFAOYSA-N 1 2 261.300 1.931 20 30 CDEDLO Cc1nc(NCC[C@@H](C)NC(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001106258344 913736260 /nfs/dbraw/zinc/73/62/60/913736260.db2.gz KWNDKKAHCINSGR-SNVBAGLBSA-N 1 2 298.350 1.605 20 30 CDEDLO Cn1cnnc1C1CCN(c2cc(CC#N)cc[nH+]2)CC1 ZINC001167082564 894289850 /nfs/dbraw/zinc/28/98/50/894289850.db2.gz KWGIUTVINNRGEY-UHFFFAOYSA-N 1 2 282.351 1.660 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N[C@@H](C)CCNc1cc[nH+]c(C)n1 ZINC001106368754 913889431 /nfs/dbraw/zinc/88/94/31/913889431.db2.gz WOTSOSLZGIGCNV-RYUDHWBXSA-N 1 2 292.383 1.683 20 30 CDEDLO Cc1nc(C#N)cnc1N1CCC(n2cc[nH+]c2)CC1 ZINC001167126223 894660159 /nfs/dbraw/zinc/66/01/59/894660159.db2.gz SWLFGCBDGNKCJD-UHFFFAOYSA-N 1 2 268.324 1.695 20 30 CDEDLO C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1CNCC#N ZINC001106419441 913911817 /nfs/dbraw/zinc/91/18/17/913911817.db2.gz LBVCKGNKYGTMBK-CHWSQXEVSA-N 1 2 297.362 1.156 20 30 CDEDLO C=CCc1cc(C)c[nH+]c1N[C@H]1CCC(=O)NC1=O ZINC001167561164 896796957 /nfs/dbraw/zinc/79/69/57/896796957.db2.gz VIROWSDBTZTREN-NSHDSACASA-N 1 2 259.309 1.336 20 30 CDEDLO N#Cc1ncc(NC(=O)Cc2c[nH]c[nH+]2)cc1C(F)(F)F ZINC001176827289 914275805 /nfs/dbraw/zinc/27/58/05/914275805.db2.gz GUBIANHMAIKKKL-UHFFFAOYSA-N 1 2 295.224 1.876 20 30 CDEDLO C[C@@H](CNc1ccc(C#N)nc1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001104648646 898841578 /nfs/dbraw/zinc/84/15/78/898841578.db2.gz YYRBNILWKQDJAB-NSHDSACASA-N 1 2 298.350 1.178 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCSC)C[C@H]21 ZINC001176906647 914387277 /nfs/dbraw/zinc/38/72/77/914387277.db2.gz LCEOKLOIIDDVGG-KGLIPLIRSA-N 1 2 296.436 1.065 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCSC)C[C@H]21 ZINC001176906647 914387292 /nfs/dbraw/zinc/38/72/92/914387292.db2.gz LCEOKLOIIDDVGG-KGLIPLIRSA-N 1 2 296.436 1.065 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCCC)C[C@@H]21 ZINC001176917019 914393366 /nfs/dbraw/zinc/39/33/66/914393366.db2.gz BDTDAXSCGITYRO-LSDHHAIUSA-N 1 2 278.396 1.502 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCC)C[C@@H]21 ZINC001176917019 914393382 /nfs/dbraw/zinc/39/33/82/914393382.db2.gz BDTDAXSCGITYRO-LSDHHAIUSA-N 1 2 278.396 1.502 20 30 CDEDLO C#CCCCC(=O)NCC[NH2+]Cc1nc(CCC)no1 ZINC001126334949 901616912 /nfs/dbraw/zinc/61/69/12/901616912.db2.gz UMHOIIHPEPJRIN-UHFFFAOYSA-N 1 2 278.356 1.031 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCc2cnn(C)c2)C1 ZINC001481660366 901751214 /nfs/dbraw/zinc/75/12/14/901751214.db2.gz HUHKQRGDVSVPRI-UHFFFAOYSA-N 1 2 296.802 1.153 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)CCCOC)C1 ZINC001481707937 901863128 /nfs/dbraw/zinc/86/31/28/901863128.db2.gz MEHDVOWGRDEDKB-WCQYABFASA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)CCCOC)C1 ZINC001481707937 901863134 /nfs/dbraw/zinc/86/31/34/901863134.db2.gz MEHDVOWGRDEDKB-WCQYABFASA-N 1 2 288.819 1.992 20 30 CDEDLO CN(CC(=O)NCC(C)(C)S)c1cccc[nH+]1 ZINC001177417138 914672181 /nfs/dbraw/zinc/67/21/81/914672181.db2.gz MAUOFICLISUGPI-UHFFFAOYSA-N 1 2 253.371 1.342 20 30 CDEDLO C[N@@H+]1CCC12CN(C(=O)c1cc3cc(C#N)ccc3[nH]1)C2 ZINC001269110308 903431674 /nfs/dbraw/zinc/43/16/74/903431674.db2.gz GUKLRTJNMMSMFA-UHFFFAOYSA-N 1 2 280.331 1.570 20 30 CDEDLO C[N@H+]1CCC12CN(C(=O)c1cc3cc(C#N)ccc3[nH]1)C2 ZINC001269110308 903431684 /nfs/dbraw/zinc/43/16/84/903431684.db2.gz GUKLRTJNMMSMFA-UHFFFAOYSA-N 1 2 280.331 1.570 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001269159876 903494396 /nfs/dbraw/zinc/49/43/96/903494396.db2.gz ZROOYMGSHNVDJN-UONOGXRCSA-N 1 2 290.411 1.713 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001269159876 903494416 /nfs/dbraw/zinc/49/44/16/903494416.db2.gz ZROOYMGSHNVDJN-UONOGXRCSA-N 1 2 290.411 1.713 20 30 CDEDLO C=CCSCC(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001271194847 906171907 /nfs/dbraw/zinc/17/19/07/906171907.db2.gz SAICUZSCLWBEGO-UHFFFAOYSA-N 1 2 291.420 1.578 20 30 CDEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1CCO[C@H](C)C1)C(=O)OCC ZINC001168088205 906891820 /nfs/dbraw/zinc/89/18/20/906891820.db2.gz PFDHVDNYQQGPCI-HKUMRIAESA-N 1 2 253.342 1.651 20 30 CDEDLO COc1ccc(C#N)c(C(=O)NCCn2cc[nH+]c2)c1 ZINC001189066929 921312307 /nfs/dbraw/zinc/31/23/07/921312307.db2.gz MAIKBNLJCMACSA-UHFFFAOYSA-N 1 2 270.292 1.193 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128481361 921426037 /nfs/dbraw/zinc/42/60/37/921426037.db2.gz LGPBVODLDGBXHP-MRXNPFEDSA-N 1 2 290.411 1.937 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128481361 921426045 /nfs/dbraw/zinc/42/60/45/921426045.db2.gz LGPBVODLDGBXHP-MRXNPFEDSA-N 1 2 290.411 1.937 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@H]1Cc2cccc(Cl)c2C1 ZINC001168717622 921433023 /nfs/dbraw/zinc/43/30/23/921433023.db2.gz BKTXHWMCHXIATL-RYUDHWBXSA-N 1 2 261.756 1.605 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2nccs2)C1=O ZINC001273014152 921536801 /nfs/dbraw/zinc/53/68/01/921536801.db2.gz LEUJXLIFJVHNFE-AWEZNQCLSA-N 1 2 277.393 1.896 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2nccs2)C1=O ZINC001273014152 921536812 /nfs/dbraw/zinc/53/68/12/921536812.db2.gz LEUJXLIFJVHNFE-AWEZNQCLSA-N 1 2 277.393 1.896 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cscc2Cl)C1 ZINC001077187445 910209579 /nfs/dbraw/zinc/20/95/79/910209579.db2.gz TVJCBKXQECSWFP-VXGBXAGGSA-N 1 2 298.795 1.200 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cscc2Cl)C1 ZINC001077187445 910209601 /nfs/dbraw/zinc/20/96/01/910209601.db2.gz TVJCBKXQECSWFP-VXGBXAGGSA-N 1 2 298.795 1.200 20 30 CDEDLO N#Cc1ccc(F)c(N[C@@H]2CCC[N@@H+](C3COC3)C2)c1 ZINC001168369522 910335984 /nfs/dbraw/zinc/33/59/84/910335984.db2.gz DJMDCMDBBPCSBR-GFCCVEGCSA-N 1 2 275.327 1.972 20 30 CDEDLO N#Cc1ccc(F)c(N[C@@H]2CCC[N@H+](C3COC3)C2)c1 ZINC001168369522 910336000 /nfs/dbraw/zinc/33/60/00/910336000.db2.gz DJMDCMDBBPCSBR-GFCCVEGCSA-N 1 2 275.327 1.972 20 30 CDEDLO Cc1ccc(C#N)c(NCCCNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001094549143 910674161 /nfs/dbraw/zinc/67/41/61/910674161.db2.gz CYPZDWKKUSVBGZ-UHFFFAOYSA-N 1 2 298.350 1.146 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(OC)nn1 ZINC001409769574 910713460 /nfs/dbraw/zinc/71/34/60/910713460.db2.gz WNVOSAYYGITSOB-JTQLQIEISA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(OC)nn1 ZINC001409769574 910713469 /nfs/dbraw/zinc/71/34/69/910713469.db2.gz WNVOSAYYGITSOB-JTQLQIEISA-N 1 2 298.774 1.288 20 30 CDEDLO COCC#Cc1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001212176490 911725569 /nfs/dbraw/zinc/72/55/69/911725569.db2.gz HONURVVXLJWWMU-UHFFFAOYSA-N 1 2 280.287 1.920 20 30 CDEDLO C[C@H](CCCC#N)[NH+]1CCN(C(=O)C(F)(F)F)CC1 ZINC001172491667 911727193 /nfs/dbraw/zinc/72/71/93/911727193.db2.gz GBUAWUYYXSFXLB-SNVBAGLBSA-N 1 2 277.290 1.775 20 30 CDEDLO COC(=O)N1CCC([N@@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001172739415 911884216 /nfs/dbraw/zinc/88/42/16/911884216.db2.gz LRHZSNISBRBCCW-GFCCVEGCSA-N 1 2 296.392 1.491 20 30 CDEDLO COC(=O)N1CCC([N@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001172739415 911884232 /nfs/dbraw/zinc/88/42/32/911884232.db2.gz LRHZSNISBRBCCW-GFCCVEGCSA-N 1 2 296.392 1.491 20 30 CDEDLO COC(=O)N1CCC([N@@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001172739415 911884242 /nfs/dbraw/zinc/88/42/42/911884242.db2.gz LRHZSNISBRBCCW-GFCCVEGCSA-N 1 2 296.392 1.491 20 30 CDEDLO COC(=O)N1CCC([N@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001172739415 911884253 /nfs/dbraw/zinc/88/42/53/911884253.db2.gz LRHZSNISBRBCCW-GFCCVEGCSA-N 1 2 296.392 1.491 20 30 CDEDLO C[C@H](C#N)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC001172887871 912048555 /nfs/dbraw/zinc/04/85/55/912048555.db2.gz ULWLRPXQQQXMNN-LLVKDONJSA-N 1 2 267.373 1.294 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C)O2)[C@H]1C ZINC001088870079 912104787 /nfs/dbraw/zinc/10/47/87/912104787.db2.gz QVYBDGXFFHGONJ-FVCCEPFGSA-N 1 2 286.803 1.885 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C)O2)[C@H]1C ZINC001088870079 912104795 /nfs/dbraw/zinc/10/47/95/912104795.db2.gz QVYBDGXFFHGONJ-FVCCEPFGSA-N 1 2 286.803 1.885 20 30 CDEDLO C[C@H](CCN(C)C(=O)OC(C)(C)C)N1CC[NH2+]C[C@H]1C#N ZINC001172957098 912120526 /nfs/dbraw/zinc/12/05/26/912120526.db2.gz NFXPKDCVOSSNKW-CHWSQXEVSA-N 1 2 296.415 1.429 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C(C)C)C1 ZINC001077557470 914946771 /nfs/dbraw/zinc/94/67/71/914946771.db2.gz CXILPRUSFWGPMT-ZIAGYGMSSA-N 1 2 290.363 1.201 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C(C)C)C1 ZINC001077557470 914946786 /nfs/dbraw/zinc/94/67/86/914946786.db2.gz CXILPRUSFWGPMT-ZIAGYGMSSA-N 1 2 290.363 1.201 20 30 CDEDLO C[C@H](C(=O)NCCCOc1ccccc1C#N)n1cc[nH+]c1 ZINC001177928929 915055711 /nfs/dbraw/zinc/05/57/11/915055711.db2.gz FHTUFFOVZLAAJV-CYBMUJFWSA-N 1 2 298.346 1.901 20 30 CDEDLO Cc1noc(C[NH2+][C@H]2CCN(C(=O)C#CC(C)C)[C@H]2C)n1 ZINC001178645678 915544310 /nfs/dbraw/zinc/54/43/10/915544310.db2.gz NRUMDFURJBKGRP-AAEUAGOBSA-N 1 2 290.367 1.116 20 30 CDEDLO C=CCCC(=O)NCC[NH2+]Cc1nc(CCC)no1 ZINC001124636140 936327070 /nfs/dbraw/zinc/32/70/70/936327070.db2.gz JFUNDDBVILJJNL-UHFFFAOYSA-N 1 2 266.345 1.194 20 30 CDEDLO COc1ccc(C[N@@H+]2CCC[C@@H](NC(C)=O)C2)c(C#N)c1 ZINC001137703922 936392505 /nfs/dbraw/zinc/39/25/05/936392505.db2.gz ZCNPYVLTBVNXGP-OAHLLOKOSA-N 1 2 287.363 1.667 20 30 CDEDLO COc1ccc(C[N@H+]2CCC[C@@H](NC(C)=O)C2)c(C#N)c1 ZINC001137703922 936392509 /nfs/dbraw/zinc/39/25/09/936392509.db2.gz ZCNPYVLTBVNXGP-OAHLLOKOSA-N 1 2 287.363 1.667 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ocnc1C(F)F)C2 ZINC001097858896 936395455 /nfs/dbraw/zinc/39/54/55/936395455.db2.gz BCHYSBZTNWDXTH-BBBLOLIVSA-N 1 2 295.289 1.581 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ocnc1C(F)F)C2 ZINC001097858896 936395458 /nfs/dbraw/zinc/39/54/58/936395458.db2.gz BCHYSBZTNWDXTH-BBBLOLIVSA-N 1 2 295.289 1.581 20 30 CDEDLO C=C(C)CN1C[C@@]2(F)C[N@@H+](CCCOC)C[C@@]2(F)C1=O ZINC001273474615 917784935 /nfs/dbraw/zinc/78/49/35/917784935.db2.gz MKQWQPXJYGVEJR-UONOGXRCSA-N 1 2 288.338 1.173 20 30 CDEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](CCCOC)C[C@@]2(F)C1=O ZINC001273474615 917784944 /nfs/dbraw/zinc/78/49/44/917784944.db2.gz MKQWQPXJYGVEJR-UONOGXRCSA-N 1 2 288.338 1.173 20 30 CDEDLO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)C#CC(C)(C)C)C2)o1 ZINC001182423128 917851931 /nfs/dbraw/zinc/85/19/31/917851931.db2.gz RRYSLVQNXRJFAV-GFCCVEGCSA-N 1 2 290.367 1.118 20 30 CDEDLO C[C@@H](C(=O)N1CCc2[nH+]ccn2CC1)c1ccc(C#N)cc1 ZINC001182794153 918130401 /nfs/dbraw/zinc/13/04/01/918130401.db2.gz QWXMJYXQRDHRRM-CYBMUJFWSA-N 1 2 294.358 1.943 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2CCCCC2)C1 ZINC001107704133 918652961 /nfs/dbraw/zinc/65/29/61/918652961.db2.gz ILHYPYVVWMRGHT-QGZVFWFLSA-N 1 2 292.423 1.797 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2CCCCC2)C1 ZINC001107704133 918652974 /nfs/dbraw/zinc/65/29/74/918652974.db2.gz ILHYPYVVWMRGHT-QGZVFWFLSA-N 1 2 292.423 1.797 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CCCCC2)C1 ZINC001107704132 918653224 /nfs/dbraw/zinc/65/32/24/918653224.db2.gz ILHYPYVVWMRGHT-KRWDZBQOSA-N 1 2 292.423 1.797 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CCCCC2)C1 ZINC001107704132 918653235 /nfs/dbraw/zinc/65/32/35/918653235.db2.gz ILHYPYVVWMRGHT-KRWDZBQOSA-N 1 2 292.423 1.797 20 30 CDEDLO C#Cc1cc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)ccn1 ZINC001183744640 918672966 /nfs/dbraw/zinc/67/29/66/918672966.db2.gz JJCOUTKMYBUNNI-QGZVFWFLSA-N 1 2 291.354 1.698 20 30 CDEDLO C#Cc1cc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)ccn1 ZINC001183744640 918672978 /nfs/dbraw/zinc/67/29/78/918672978.db2.gz JJCOUTKMYBUNNI-QGZVFWFLSA-N 1 2 291.354 1.698 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCCOC)C1 ZINC001107795450 918800819 /nfs/dbraw/zinc/80/08/19/918800819.db2.gz NMXNZFIMWKUDEL-HNNXBMFYSA-N 1 2 284.400 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCCOC)C1 ZINC001107795450 918800834 /nfs/dbraw/zinc/80/08/34/918800834.db2.gz NMXNZFIMWKUDEL-HNNXBMFYSA-N 1 2 284.400 1.196 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C=C2CCC2)C1 ZINC001107860547 918916538 /nfs/dbraw/zinc/91/65/38/918916538.db2.gz RMRUSOKPLMIJMB-HNNXBMFYSA-N 1 2 264.369 1.490 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C=C2CCC2)C1 ZINC001107860547 918916544 /nfs/dbraw/zinc/91/65/44/918916544.db2.gz RMRUSOKPLMIJMB-HNNXBMFYSA-N 1 2 264.369 1.490 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC001077777610 919038586 /nfs/dbraw/zinc/03/85/86/919038586.db2.gz SVLCDITXVBXXEY-GHMZBOCLSA-N 1 2 298.795 1.200 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC001077777610 919038596 /nfs/dbraw/zinc/03/85/96/919038596.db2.gz SVLCDITXVBXXEY-GHMZBOCLSA-N 1 2 298.795 1.200 20 30 CDEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2csc(C)n2)C1=O ZINC001272775085 919242371 /nfs/dbraw/zinc/24/23/71/919242371.db2.gz WCICQNQWIAVNPN-HNNXBMFYSA-N 1 2 289.404 1.652 20 30 CDEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2csc(C)n2)C1=O ZINC001272775085 919242382 /nfs/dbraw/zinc/24/23/82/919242382.db2.gz WCICQNQWIAVNPN-HNNXBMFYSA-N 1 2 289.404 1.652 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(F)cn2)C1=O ZINC001272803581 919330637 /nfs/dbraw/zinc/33/06/37/919330637.db2.gz VIOLXKBCBKCTBA-MRXNPFEDSA-N 1 2 287.338 1.421 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(F)cn2)C1=O ZINC001272803581 919330647 /nfs/dbraw/zinc/33/06/47/919330647.db2.gz VIOLXKBCBKCTBA-MRXNPFEDSA-N 1 2 287.338 1.421 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(CC)c(C)s2)C1 ZINC001078147151 920141025 /nfs/dbraw/zinc/14/10/25/920141025.db2.gz UPDUVUREKOJMTH-CHWSQXEVSA-N 1 2 294.420 1.580 20 30 CDEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(CC)c(C)s2)C1 ZINC001078147151 920141031 /nfs/dbraw/zinc/14/10/31/920141031.db2.gz UPDUVUREKOJMTH-CHWSQXEVSA-N 1 2 294.420 1.580 20 30 CDEDLO CCOC(=O)C1C[NH+](Cc2ccc(C)c(C#N)c2)C1 ZINC001139726432 936639753 /nfs/dbraw/zinc/63/97/53/936639753.db2.gz NEQOAFXNIAPLPO-UHFFFAOYSA-N 1 2 258.321 1.862 20 30 CDEDLO C=CC[NH+]1CCN(Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001139852644 936652780 /nfs/dbraw/zinc/65/27/80/936652780.db2.gz PFRFWGDBXBEWEF-UHFFFAOYSA-N 1 2 284.367 1.170 20 30 CDEDLO COc1ccc(C[NH+]2CCC(C#N)CC2)c(OC)n1 ZINC001139917586 936657401 /nfs/dbraw/zinc/65/74/01/936657401.db2.gz ZZCQJRUFYHJILD-UHFFFAOYSA-N 1 2 261.325 1.834 20 30 CDEDLO CC(=O)NC1C[NH+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140115149 936679985 /nfs/dbraw/zinc/67/99/85/936679985.db2.gz OITHXHJBNALPQD-UHFFFAOYSA-N 1 2 268.320 1.360 20 30 CDEDLO C[N@H+](CCC#N)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140281725 936697355 /nfs/dbraw/zinc/69/73/55/936697355.db2.gz MDIWRLMTANUASE-UHFFFAOYSA-N 1 2 273.380 1.993 20 30 CDEDLO C[N@@H+](CCC#N)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140281725 936697356 /nfs/dbraw/zinc/69/73/56/936697356.db2.gz MDIWRLMTANUASE-UHFFFAOYSA-N 1 2 273.380 1.993 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)[C@H](O)C1 ZINC001090255222 922794411 /nfs/dbraw/zinc/79/44/11/922794411.db2.gz NTKLQOOZCAABSD-UONOGXRCSA-N 1 2 298.814 1.791 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)[C@H](O)C1 ZINC001090255222 922794426 /nfs/dbraw/zinc/79/44/26/922794426.db2.gz NTKLQOOZCAABSD-UONOGXRCSA-N 1 2 298.814 1.791 20 30 CDEDLO N#Cc1cncc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC001194107582 924061772 /nfs/dbraw/zinc/06/17/72/924061772.db2.gz FFBOKIVQMHQOTM-GFCCVEGCSA-N 1 2 281.319 1.696 20 30 CDEDLO C=CCOCC(=O)N1CCC[N@@H+](Cc2conc2C)CC1 ZINC001195284614 924532970 /nfs/dbraw/zinc/53/29/70/924532970.db2.gz ZUONHCMOOCVJBK-UHFFFAOYSA-N 1 2 293.367 1.220 20 30 CDEDLO C=CCOCC(=O)N1CCC[N@H+](Cc2conc2C)CC1 ZINC001195284614 924532983 /nfs/dbraw/zinc/53/29/83/924532983.db2.gz ZUONHCMOOCVJBK-UHFFFAOYSA-N 1 2 293.367 1.220 20 30 CDEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001195484167 924623701 /nfs/dbraw/zinc/62/37/01/924623701.db2.gz RMJYVAZXUZUGRQ-YVNFWLBFSA-N 1 2 284.787 1.094 20 30 CDEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001195484167 924623702 /nfs/dbraw/zinc/62/37/02/924623702.db2.gz RMJYVAZXUZUGRQ-YVNFWLBFSA-N 1 2 284.787 1.094 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C3CC3)CCC2)[C@H](OC)C1 ZINC001081989410 924835463 /nfs/dbraw/zinc/83/54/63/924835463.db2.gz KMMOSRDJJHXINI-ZIAGYGMSSA-N 1 2 276.380 1.015 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C3CC3)CCC2)[C@H](OC)C1 ZINC001081989410 924835473 /nfs/dbraw/zinc/83/54/73/924835473.db2.gz KMMOSRDJJHXINI-ZIAGYGMSSA-N 1 2 276.380 1.015 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)cc2F)[C@H](OC)C1 ZINC001082170993 924870815 /nfs/dbraw/zinc/87/08/15/924870815.db2.gz INOTVFHJPKFRHK-HUUCEWRRSA-N 1 2 290.338 1.196 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)cc2F)[C@H](OC)C1 ZINC001082170993 924870823 /nfs/dbraw/zinc/87/08/23/924870823.db2.gz INOTVFHJPKFRHK-HUUCEWRRSA-N 1 2 290.338 1.196 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C3CC3)no2)[C@H](OC)C1 ZINC001082191055 924877068 /nfs/dbraw/zinc/87/70/68/924877068.db2.gz WAQXROLLHPZBMP-TZMCWYRMSA-N 1 2 291.351 1.167 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(C3CC3)no2)[C@H](OC)C1 ZINC001082191055 924877075 /nfs/dbraw/zinc/87/70/75/924877075.db2.gz WAQXROLLHPZBMP-TZMCWYRMSA-N 1 2 291.351 1.167 20 30 CDEDLO N#Cc1cccnc1C(=O)NCCOc1cc[nH+]cc1 ZINC001196563264 924928291 /nfs/dbraw/zinc/92/82/91/924928291.db2.gz AQMCWJGTYOSGHT-UHFFFAOYSA-N 1 2 268.276 1.157 20 30 CDEDLO N#Cc1cccnc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001196552987 924937307 /nfs/dbraw/zinc/93/73/07/924937307.db2.gz HRXSFZNSPWNRRQ-UHFFFAOYSA-N 1 2 281.319 1.696 20 30 CDEDLO N#Cc1cccnc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001196552987 924937300 /nfs/dbraw/zinc/93/73/00/924937300.db2.gz HRXSFZNSPWNRRQ-UHFFFAOYSA-N 1 2 281.319 1.696 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccsc3)[C@H]2C1 ZINC001082993663 925065589 /nfs/dbraw/zinc/06/55/89/925065589.db2.gz HRJIJYNQKJFZAZ-UONOGXRCSA-N 1 2 290.388 1.297 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccsc3)[C@H]2C1 ZINC001082993663 925065597 /nfs/dbraw/zinc/06/55/97/925065597.db2.gz HRJIJYNQKJFZAZ-UONOGXRCSA-N 1 2 290.388 1.297 20 30 CDEDLO CCc1cc(C(=O)NCCc2cn(C)c[nH+]2)ccc1C#N ZINC001197293107 925117423 /nfs/dbraw/zinc/11/74/23/925117423.db2.gz ZUVZRTPOZQSDPS-UHFFFAOYSA-N 1 2 282.347 1.827 20 30 CDEDLO C=CCOCC(=O)NCC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001098925633 925475613 /nfs/dbraw/zinc/47/56/13/925475613.db2.gz QCINVLUQUVRNPA-NSHDSACASA-N 1 2 278.356 1.294 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(Cl)o1 ZINC001085487639 926055489 /nfs/dbraw/zinc/05/54/89/926055489.db2.gz DWLWRLNTEJEQBC-JTQLQIEISA-N 1 2 266.728 1.713 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(Cl)o1 ZINC001085487639 926055499 /nfs/dbraw/zinc/05/54/99/926055499.db2.gz DWLWRLNTEJEQBC-JTQLQIEISA-N 1 2 266.728 1.713 20 30 CDEDLO Cc1nc(NCC[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001066286384 926224879 /nfs/dbraw/zinc/22/48/79/926224879.db2.gz PBJLGMNVHBOWES-AAEUAGOBSA-N 1 2 287.367 1.595 20 30 CDEDLO N#Cc1cnn2c1[nH]c(=O)cc2Nc1ccc(N)[nH+]c1 ZINC001201276002 926252092 /nfs/dbraw/zinc/25/20/92/926252092.db2.gz OABCHSQDMDYMRK-UHFFFAOYSA-N 1 2 267.252 1.027 20 30 CDEDLO Cn1c[nH+]c(CCNC(=O)C#Cc2ccccc2)c1 ZINC001142861475 937081787 /nfs/dbraw/zinc/08/17/87/937081787.db2.gz SWWGUSVXCKWJIH-UHFFFAOYSA-N 1 2 253.305 1.131 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(OCC)c1 ZINC001085844359 926443339 /nfs/dbraw/zinc/44/33/39/926443339.db2.gz LIZUJXDCGKXIDH-OAHLLOKOSA-N 1 2 286.375 1.865 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(OCC)c1 ZINC001085844359 926443341 /nfs/dbraw/zinc/44/33/41/926443341.db2.gz LIZUJXDCGKXIDH-OAHLLOKOSA-N 1 2 286.375 1.865 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(C)C)nn1C ZINC001085904293 926494347 /nfs/dbraw/zinc/49/43/47/926494347.db2.gz BIONOTQRPURAJG-CYBMUJFWSA-N 1 2 288.395 1.323 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(C)C)nn1C ZINC001085904293 926494349 /nfs/dbraw/zinc/49/43/49/926494349.db2.gz BIONOTQRPURAJG-CYBMUJFWSA-N 1 2 288.395 1.323 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1coc(CCC)n1 ZINC001085924113 926513446 /nfs/dbraw/zinc/51/34/46/926513446.db2.gz NYZVLXYSHUHGIV-GFCCVEGCSA-N 1 2 275.352 1.407 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1coc(CCC)n1 ZINC001085924113 926513448 /nfs/dbraw/zinc/51/34/48/926513448.db2.gz NYZVLXYSHUHGIV-GFCCVEGCSA-N 1 2 275.352 1.407 20 30 CDEDLO CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1ncccc1C#N ZINC001103161526 937125480 /nfs/dbraw/zinc/12/54/80/937125480.db2.gz DJAARRZWOAIBOJ-GFCCVEGCSA-N 1 2 298.350 1.226 20 30 CDEDLO COC(=O)[C@@H]1CC[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143164206 937127552 /nfs/dbraw/zinc/12/75/52/937127552.db2.gz BMXPORWJKLUEKD-SNVBAGLBSA-N 1 2 280.274 1.831 20 30 CDEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143164206 937127553 /nfs/dbraw/zinc/12/75/53/937127553.db2.gz BMXPORWJKLUEKD-SNVBAGLBSA-N 1 2 280.274 1.831 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@]2(C)C[N@H+](CC=C)CCO2)nc1 ZINC001108351604 927429535 /nfs/dbraw/zinc/42/95/35/927429535.db2.gz MHVGUDDQOHFLNG-QGZVFWFLSA-N 1 2 299.374 1.070 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@]2(C)C[N@@H+](CC=C)CCO2)nc1 ZINC001108351604 927429542 /nfs/dbraw/zinc/42/95/42/927429542.db2.gz MHVGUDDQOHFLNG-QGZVFWFLSA-N 1 2 299.374 1.070 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)C)C1 ZINC001108358718 927435956 /nfs/dbraw/zinc/43/59/56/927435956.db2.gz RUYOAZPWDZSURB-OAHLLOKOSA-N 1 2 266.385 1.263 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)C)C1 ZINC001108358718 927435965 /nfs/dbraw/zinc/43/59/65/927435965.db2.gz RUYOAZPWDZSURB-OAHLLOKOSA-N 1 2 266.385 1.263 20 30 CDEDLO Cc1nc(NC[C@H](C)CNC(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001103937616 937179251 /nfs/dbraw/zinc/17/92/51/937179251.db2.gz HIPAXCSKMGPOTD-LBPRGKRZSA-N 1 2 288.395 1.999 20 30 CDEDLO C#CC[NH2+]CC[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001104216996 937196755 /nfs/dbraw/zinc/19/67/55/937196755.db2.gz DDCGDCKWHRGXMM-GMTAPVOTSA-N 1 2 294.292 1.594 20 30 CDEDLO C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C ZINC001104216996 937196761 /nfs/dbraw/zinc/19/67/61/937196761.db2.gz DDCGDCKWHRGXMM-GMTAPVOTSA-N 1 2 294.292 1.594 20 30 CDEDLO N#CC1(c2cc[nH+]c(NC[C@H](O)C(F)(F)F)c2)CC1 ZINC001169455466 928047901 /nfs/dbraw/zinc/04/79/01/928047901.db2.gz JAHWEBKYHTZHML-VIFPVBQESA-N 1 2 271.242 1.972 20 30 CDEDLO C=CCc1cc(C)cnc1NC[C@@H]1COCC[N@H+]1C ZINC001169652156 928285285 /nfs/dbraw/zinc/28/52/85/928285285.db2.gz DAYPGVYDMBFWFD-CQSZACIVSA-N 1 2 261.369 1.861 20 30 CDEDLO C=CCc1cc(C)cnc1NC[C@@H]1COCC[N@@H+]1C ZINC001169652156 928285290 /nfs/dbraw/zinc/28/52/90/928285290.db2.gz DAYPGVYDMBFWFD-CQSZACIVSA-N 1 2 261.369 1.861 20 30 CDEDLO C=CC[C@@H]([NH2+][C@@H]1CCCC2(C1)OCCO2)C(=O)OC ZINC001169912677 928516609 /nfs/dbraw/zinc/51/66/09/928516609.db2.gz FZYMAUMRIGBUIV-VXGBXAGGSA-N 1 2 269.341 1.379 20 30 CDEDLO Cc1nc(NC[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)ccc1C#N ZINC001108718876 928615071 /nfs/dbraw/zinc/61/50/71/928615071.db2.gz ZHVUKHNCKJJKKJ-JTQLQIEISA-N 1 2 298.350 1.144 20 30 CDEDLO C=CCCC(=O)N[C@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001108859191 928685228 /nfs/dbraw/zinc/68/52/28/928685228.db2.gz HZSNYFRYUCMCPQ-LLVKDONJSA-N 1 2 262.357 1.692 20 30 CDEDLO Cc1nc(N(C)C[C@H](C)NC(=O)[C@@H](C)C#N)c(C)c(C)[nH+]1 ZINC001108881061 928691293 /nfs/dbraw/zinc/69/12/93/928691293.db2.gz WNWWUTUMEQHNAC-UWVGGRQHSA-N 1 2 289.383 1.502 20 30 CDEDLO Cc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC2CC2)C3)o1 ZINC001109257729 928860799 /nfs/dbraw/zinc/86/07/99/928860799.db2.gz KQZAXZFZXMBHKQ-KBMXLJTQSA-N 1 2 299.374 1.618 20 30 CDEDLO Cc1ncc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC2CC2)C3)o1 ZINC001109257729 928860813 /nfs/dbraw/zinc/86/08/13/928860813.db2.gz KQZAXZFZXMBHKQ-KBMXLJTQSA-N 1 2 299.374 1.618 20 30 CDEDLO C#CC[C@@H](CCOC)Nc1[nH+]cnc2c1cnn2C ZINC000858857143 928930001 /nfs/dbraw/zinc/93/00/01/928930001.db2.gz ZBWQBUQYGLQGJJ-JTQLQIEISA-N 1 2 259.313 1.204 20 30 CDEDLO C=CCOCC(=O)N[C@H](CNc1cc[nH+]c(C)n1)C1CC1 ZINC001109790533 929051956 /nfs/dbraw/zinc/05/19/56/929051956.db2.gz XUSPHHOVLIWDSZ-CYBMUJFWSA-N 1 2 290.367 1.294 20 30 CDEDLO Cc1nc(NCC2CC(NC(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001112836254 929481426 /nfs/dbraw/zinc/48/14/26/929481426.db2.gz GGWYLWFLMWFRSM-UHFFFAOYSA-N 1 2 286.379 1.751 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CC(C)(C)CC)CC1 ZINC001112891689 929540652 /nfs/dbraw/zinc/54/06/52/929540652.db2.gz XAWKMLAEQLNPDX-UHFFFAOYSA-N 1 2 250.386 1.980 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)C2(CCOC)CC2)CC1 ZINC001112942142 929588915 /nfs/dbraw/zinc/58/89/15/929588915.db2.gz HOCXHXLXZSBNDV-UHFFFAOYSA-N 1 2 296.411 1.150 20 30 CDEDLO NC(Cc1cccnc1)=[NH+]OCCOc1ccccc1 ZINC000137638342 930857086 /nfs/dbraw/zinc/85/70/86/930857086.db2.gz ILHVUJVEXBKWOF-UHFFFAOYSA-N 1 2 271.320 1.992 20 30 CDEDLO CN(CCC#N)C(=O)CC[N@@H+]1Cc2ccncc2C1 ZINC000821260465 931028315 /nfs/dbraw/zinc/02/83/15/931028315.db2.gz NBQCWAIXIFHFDU-UHFFFAOYSA-N 1 2 258.325 1.159 20 30 CDEDLO CN(CCC#N)C(=O)CC[N@H+]1Cc2ccncc2C1 ZINC000821260465 931028321 /nfs/dbraw/zinc/02/83/21/931028321.db2.gz NBQCWAIXIFHFDU-UHFFFAOYSA-N 1 2 258.325 1.159 20 30 CDEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2CCC#N ZINC001274031524 931131229 /nfs/dbraw/zinc/13/12/29/931131229.db2.gz SYPXLFHECJZELQ-OAHLLOKOSA-N 1 2 261.369 1.933 20 30 CDEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2CCC#N ZINC001274031524 931131235 /nfs/dbraw/zinc/13/12/35/931131235.db2.gz SYPXLFHECJZELQ-OAHLLOKOSA-N 1 2 261.369 1.933 20 30 CDEDLO COC(=O)c1ccc(C(=[NH2+])Nc2ccc(N(C)C)cn2)cc1 ZINC001170984704 931147158 /nfs/dbraw/zinc/14/71/58/931147158.db2.gz XNHDLVWAPMYRCI-UHFFFAOYSA-N 1 2 298.346 1.971 20 30 CDEDLO Cc1[nH]c(CNC(=O)c2cccc(C#N)c2)[nH+]c1C ZINC001137260172 931393501 /nfs/dbraw/zinc/39/35/01/931393501.db2.gz CEQIEOYKVKOCSS-UHFFFAOYSA-N 1 2 254.293 1.828 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](C)OCC(C)C ZINC001371928721 972696011 /nfs/dbraw/zinc/69/60/11/972696011.db2.gz ITNGXOSWUYDLHJ-GFCCVEGCSA-N 1 2 276.808 1.848 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](C)OCC(C)C ZINC001371928721 972696019 /nfs/dbraw/zinc/69/60/19/972696019.db2.gz ITNGXOSWUYDLHJ-GFCCVEGCSA-N 1 2 276.808 1.848 20 30 CDEDLO CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)CCS)C2 ZINC001143977850 931614881 /nfs/dbraw/zinc/61/48/81/931614881.db2.gz FFYCMIDQHQCNMW-UHFFFAOYSA-N 1 2 296.440 1.455 20 30 CDEDLO COC[C@@H]1Cn2nccc2C[N@H+](Cc2ccc(C#N)cn2)C1 ZINC001144160847 931675388 /nfs/dbraw/zinc/67/53/88/931675388.db2.gz UVTBQMHXBXUCOA-AWEZNQCLSA-N 1 2 297.362 1.428 20 30 CDEDLO COC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC001144160847 931675392 /nfs/dbraw/zinc/67/53/92/931675392.db2.gz UVTBQMHXBXUCOA-AWEZNQCLSA-N 1 2 297.362 1.428 20 30 CDEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccc(O)cn2)CC1 ZINC001144253373 931723495 /nfs/dbraw/zinc/72/34/95/931723495.db2.gz USJCOLQLSCMECT-UHFFFAOYSA-N 1 2 294.358 1.981 20 30 CDEDLO Cc1c[nH+]c(NCCN2CCCCC2=O)c(/C=N/O)c1 ZINC001154628405 937569256 /nfs/dbraw/zinc/56/92/56/937569256.db2.gz FWBVMHARDULFKS-LICLKQGHSA-N 1 2 276.340 1.623 20 30 CDEDLO C=CCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nccn1C)C2 ZINC001147159794 932430930 /nfs/dbraw/zinc/43/09/30/932430930.db2.gz ZMAHZFOOFRNVNY-UHFFFAOYSA-N 1 2 288.395 1.421 20 30 CDEDLO C=CCCC(=O)N1CC2(C1)CC[N@H+](Cc1nccn1C)C2 ZINC001147159794 932430933 /nfs/dbraw/zinc/43/09/33/932430933.db2.gz ZMAHZFOOFRNVNY-UHFFFAOYSA-N 1 2 288.395 1.421 20 30 CDEDLO CC(C)C#CC(=O)N1CC2(C1)CC[N@H+](Cc1ncccn1)C2 ZINC001147498798 932524051 /nfs/dbraw/zinc/52/40/51/932524051.db2.gz KICMVRDEQTTZDX-UHFFFAOYSA-N 1 2 298.390 1.170 20 30 CDEDLO CC(C)C#CC(=O)N1CC2(C1)CC[N@@H+](Cc1ncccn1)C2 ZINC001147498798 932524055 /nfs/dbraw/zinc/52/40/55/932524055.db2.gz KICMVRDEQTTZDX-UHFFFAOYSA-N 1 2 298.390 1.170 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1scnc1CC)C2 ZINC001095504377 932651877 /nfs/dbraw/zinc/65/18/77/932651877.db2.gz UDPYZFOUJPPTEM-WXHSDQCUSA-N 1 2 289.404 1.674 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1scnc1CC)C2 ZINC001095504377 932651883 /nfs/dbraw/zinc/65/18/83/932651883.db2.gz UDPYZFOUJPPTEM-WXHSDQCUSA-N 1 2 289.404 1.674 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2ncc(C)o2)nc1 ZINC001148370252 932701109 /nfs/dbraw/zinc/70/11/09/932701109.db2.gz PPQHZLPQERTVFO-GFCCVEGCSA-N 1 2 298.346 1.440 20 30 CDEDLO Cc1nc(N(C)CCCNC(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001095548817 932710815 /nfs/dbraw/zinc/71/08/15/932710815.db2.gz VNSXBTNGWXJSQK-UHFFFAOYSA-N 1 2 288.395 1.777 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+]([C@H](C)C(N)=O)C2)CC1 ZINC001008416760 935402792 /nfs/dbraw/zinc/40/27/92/935402792.db2.gz INJKJLAXCDPWNG-TZMCWYRMSA-N 1 2 293.411 1.187 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)C(N)=O)C2)CC1 ZINC001008416760 935402794 /nfs/dbraw/zinc/40/27/94/935402794.db2.gz INJKJLAXCDPWNG-TZMCWYRMSA-N 1 2 293.411 1.187 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccn(C(C)(C)C)n1 ZINC001038311093 935741162 /nfs/dbraw/zinc/74/11/62/935741162.db2.gz NRRIJKYSDYUSRU-LBPRGKRZSA-N 1 2 274.368 1.075 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn(C(C)(C)C)n1 ZINC001038311093 935741164 /nfs/dbraw/zinc/74/11/64/935741164.db2.gz NRRIJKYSDYUSRU-LBPRGKRZSA-N 1 2 274.368 1.075 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)nn1CC ZINC001038738871 935754568 /nfs/dbraw/zinc/75/45/68/935754568.db2.gz CIDJGZSIZNAIOY-ZDUSSCGKSA-N 1 2 274.368 1.039 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)nn1CC ZINC001038738871 935754570 /nfs/dbraw/zinc/75/45/70/935754570.db2.gz CIDJGZSIZNAIOY-ZDUSSCGKSA-N 1 2 274.368 1.039 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn(CC3CC3)c2)C1 ZINC001044150385 935852952 /nfs/dbraw/zinc/85/29/52/935852952.db2.gz CMCUSVYZNDOXDZ-UHFFFAOYSA-N 1 2 288.395 1.625 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)cn1)C2 ZINC001096953455 936246387 /nfs/dbraw/zinc/24/63/87/936246387.db2.gz ZDJSYSNZVRWKNX-WZRBSPASSA-N 1 2 294.786 1.508 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)cn1)C2 ZINC001096953455 936246389 /nfs/dbraw/zinc/24/63/89/936246389.db2.gz ZDJSYSNZVRWKNX-WZRBSPASSA-N 1 2 294.786 1.508 20 30 CDEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccns1)C2 ZINC001097160091 936275184 /nfs/dbraw/zinc/27/51/84/936275184.db2.gz FVBVIIFKRLNHST-UTUOFQBUSA-N 1 2 275.377 1.502 20 30 CDEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccns1)C2 ZINC001097160091 936275187 /nfs/dbraw/zinc/27/51/87/936275187.db2.gz FVBVIIFKRLNHST-UTUOFQBUSA-N 1 2 275.377 1.502 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc3cc(C#N)ccc3[nH]2)CC1 ZINC001156455390 938369570 /nfs/dbraw/zinc/36/95/70/938369570.db2.gz HWCBNUAZSKOFIK-UHFFFAOYSA-N 1 2 294.358 1.983 20 30 CDEDLO C=CCOc1cccnc1C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001156538153 938381464 /nfs/dbraw/zinc/38/14/64/938381464.db2.gz NFBKQXKXKTWEKS-UHFFFAOYSA-N 1 2 286.335 1.862 20 30 CDEDLO C=CCOc1cccnc1C(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001156538153 938381466 /nfs/dbraw/zinc/38/14/66/938381466.db2.gz NFBKQXKXKTWEKS-UHFFFAOYSA-N 1 2 286.335 1.862 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1ncc(C)cc1/C=N/O ZINC001157462207 938496731 /nfs/dbraw/zinc/49/67/31/938496731.db2.gz DGRCUXGFKDONNT-LICLKQGHSA-N 1 2 273.340 1.921 20 30 CDEDLO C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C(F)C(F)(F)F ZINC001157977746 938570473 /nfs/dbraw/zinc/57/04/73/938570473.db2.gz FZZIMRXZDBUKQI-GHMZBOCLSA-N 1 2 294.292 1.833 20 30 CDEDLO C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C(F)C(F)(F)F ZINC001157977746 938570474 /nfs/dbraw/zinc/57/04/74/938570474.db2.gz FZZIMRXZDBUKQI-GHMZBOCLSA-N 1 2 294.292 1.833 20 30 CDEDLO C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](F)C(F)(F)F ZINC001157977746 938570475 /nfs/dbraw/zinc/57/04/75/938570475.db2.gz FZZIMRXZDBUKQI-GHMZBOCLSA-N 1 2 294.292 1.833 20 30 CDEDLO C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](F)C(F)(F)F ZINC001157977746 938570477 /nfs/dbraw/zinc/57/04/77/938570477.db2.gz FZZIMRXZDBUKQI-GHMZBOCLSA-N 1 2 294.292 1.833 20 30 CDEDLO C[C@H](C#N)C(=O)NCCC1=CC[N@H+](Cc2ncccn2)CC1 ZINC001159587152 938740424 /nfs/dbraw/zinc/74/04/24/938740424.db2.gz JNSWDAOFZVAZKV-CYBMUJFWSA-N 1 2 299.378 1.275 20 30 CDEDLO C[C@H](C#N)C(=O)NCCC1=CC[N@@H+](Cc2ncccn2)CC1 ZINC001159587152 938740425 /nfs/dbraw/zinc/74/04/25/938740425.db2.gz JNSWDAOFZVAZKV-CYBMUJFWSA-N 1 2 299.378 1.275 20 30 CDEDLO C#CCCN1CCC[C@@H](Nc2cc(COC)cc[nH+]2)C1=O ZINC001160899131 938840469 /nfs/dbraw/zinc/84/04/69/938840469.db2.gz ZVZLGUFSYDGPBZ-CQSZACIVSA-N 1 2 287.363 1.654 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2cc(F)cc(CC#N)c2)C[NH2+]1 ZINC001164312309 939452103 /nfs/dbraw/zinc/45/21/03/939452103.db2.gz NVGMJYMAFOGBII-STQMWFEESA-N 1 2 277.299 1.207 20 30 CDEDLO COc1ccc2c(C)cc(N3CC[NH2+]C[C@H]3C#N)nc2c1 ZINC001164651609 939502036 /nfs/dbraw/zinc/50/20/36/939502036.db2.gz JYOCNFQKURBUAT-GFCCVEGCSA-N 1 2 282.347 1.854 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1c1nc(C2CCC2)nc2[nH]ccc21 ZINC001164675408 939503410 /nfs/dbraw/zinc/50/34/10/939503410.db2.gz IXLDCBKMJBWBBH-LLVKDONJSA-N 1 2 282.351 1.527 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CSCC#N)C1 ZINC001206090446 939979111 /nfs/dbraw/zinc/97/91/11/939979111.db2.gz VFIGSKAONANKST-MWLCHTKSSA-N 1 2 287.816 1.432 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CSCC#N)C1 ZINC001206090446 939979113 /nfs/dbraw/zinc/97/91/13/939979113.db2.gz VFIGSKAONANKST-MWLCHTKSSA-N 1 2 287.816 1.432 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccnc(C)n2)C1 ZINC001207168643 940161812 /nfs/dbraw/zinc/16/18/12/940161812.db2.gz AYKMFUMHJLILKK-ZDUSSCGKSA-N 1 2 290.367 1.662 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccnc(C)n2)C1 ZINC001207168643 940161815 /nfs/dbraw/zinc/16/18/15/940161815.db2.gz AYKMFUMHJLILKK-ZDUSSCGKSA-N 1 2 290.367 1.662 20 30 CDEDLO C=CCCCC(=O)N1CCC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001209335449 940462378 /nfs/dbraw/zinc/46/23/78/940462378.db2.gz MCDJNVCMCCHGDU-LBPRGKRZSA-N 1 2 294.424 1.975 20 30 CDEDLO C#CCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001214528866 940827601 /nfs/dbraw/zinc/82/76/01/940827601.db2.gz DKJORBJLKMBYKM-DGCLKSJQSA-N 1 2 290.367 1.118 20 30 CDEDLO C=C1CC[NH2+]C[C@@H]1Oc1[nH]c(=O)nc2ccc(F)cc21 ZINC001218203350 941044245 /nfs/dbraw/zinc/04/42/45/941044245.db2.gz DXIWQPBODZEAAB-LBPRGKRZSA-N 1 2 275.283 1.771 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CC2CCCCC2)[C@@H](O)C1 ZINC001220468209 941449339 /nfs/dbraw/zinc/44/93/39/941449339.db2.gz WJENBUDHLBJLBO-IMJJTQAJSA-N 1 2 292.423 1.387 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CC2CCCCC2)[C@@H](O)C1 ZINC001220468209 941449340 /nfs/dbraw/zinc/44/93/40/941449340.db2.gz WJENBUDHLBJLBO-IMJJTQAJSA-N 1 2 292.423 1.387 20 30 CDEDLO COc1cccc(CC#N)c1OC[C@@H]1C[N@H+](C)CCO1 ZINC001225842129 941920425 /nfs/dbraw/zinc/92/04/25/941920425.db2.gz VKQJTDUECVNWBR-ZDUSSCGKSA-N 1 2 276.336 1.471 20 30 CDEDLO COc1cccc(CC#N)c1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001225842129 941920427 /nfs/dbraw/zinc/92/04/27/941920427.db2.gz VKQJTDUECVNWBR-ZDUSSCGKSA-N 1 2 276.336 1.471 20 30 CDEDLO COc1ccc(C#N)c(O[C@@H](C)C[NH+]2CCOCC2)c1 ZINC001226791383 942072312 /nfs/dbraw/zinc/07/23/12/942072312.db2.gz OHCRYXQZHMFSTJ-LBPRGKRZSA-N 1 2 276.336 1.666 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)CCc2nnc[nH]2)CC1 ZINC001226817995 942076519 /nfs/dbraw/zinc/07/65/19/942076519.db2.gz ICEXUJMTDHFUBJ-UHFFFAOYSA-N 1 2 297.790 1.070 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2cc(C#N)cc(C#N)c2)C1 ZINC001226899462 942091222 /nfs/dbraw/zinc/09/12/22/942091222.db2.gz QXBKJGUZMJYKPW-CQSZACIVSA-N 1 2 257.293 1.139 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2cc(C#N)cc(C#N)c2)C1 ZINC001226899462 942091224 /nfs/dbraw/zinc/09/12/24/942091224.db2.gz QXBKJGUZMJYKPW-CQSZACIVSA-N 1 2 257.293 1.139 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@H](Oc3ccc(O)c(C#N)c3C#N)[C@H]1CC(=O)C2 ZINC001227620207 942198266 /nfs/dbraw/zinc/19/82/66/942198266.db2.gz YTCAYDTZRRBEHT-VAHXTSCQSA-N 1 2 297.314 1.319 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ocnc1C ZINC001231239944 942828428 /nfs/dbraw/zinc/82/84/28/942828428.db2.gz GYMYLSZBLYPSSY-ZDUSSCGKSA-N 1 2 293.367 1.218 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ocnc1C ZINC001231239944 942828434 /nfs/dbraw/zinc/82/84/34/942828434.db2.gz GYMYLSZBLYPSSY-ZDUSSCGKSA-N 1 2 293.367 1.218 20 30 CDEDLO N#Cc1ccc(O)c(CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC001232678241 943359492 /nfs/dbraw/zinc/35/94/92/943359492.db2.gz RJFLHJFTSVCRIC-HNNXBMFYSA-N 1 2 271.364 1.934 20 30 CDEDLO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3O)CC[C@H]21 ZINC001232681582 943361543 /nfs/dbraw/zinc/36/15/43/943361543.db2.gz RPZKOUAPLPRVGC-UKRRQHHQSA-N 1 2 299.374 1.707 20 30 CDEDLO CN1C(=O)CC[C@@H]2C[N@H+](Cc3cc(C#N)ccc3O)CC[C@H]21 ZINC001232681582 943361549 /nfs/dbraw/zinc/36/15/49/943361549.db2.gz RPZKOUAPLPRVGC-UKRRQHHQSA-N 1 2 299.374 1.707 20 30 CDEDLO C[N@H+](C1COC1)C1CN(Cc2ccc(C#N)s2)C1 ZINC001232845720 943418886 /nfs/dbraw/zinc/41/88/86/943418886.db2.gz MJBNTXLHEAKDRK-UHFFFAOYSA-N 1 2 263.366 1.135 20 30 CDEDLO C[N@@H+](C1COC1)C1CN(Cc2ccc(C#N)s2)C1 ZINC001232845720 943418887 /nfs/dbraw/zinc/41/88/87/943418887.db2.gz MJBNTXLHEAKDRK-UHFFFAOYSA-N 1 2 263.366 1.135 20 30 CDEDLO COC[C@H]1CC[N@@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233103387 943490897 /nfs/dbraw/zinc/49/08/97/943490897.db2.gz GBETUZYMQCXMKK-GFCCVEGCSA-N 1 2 277.343 1.984 20 30 CDEDLO COC[C@H]1CC[N@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233103387 943490899 /nfs/dbraw/zinc/49/08/99/943490899.db2.gz GBETUZYMQCXMKK-GFCCVEGCSA-N 1 2 277.343 1.984 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cc1O)Cc1ncccn1 ZINC001233383235 943570564 /nfs/dbraw/zinc/57/05/64/943570564.db2.gz BDTYFIXXJRHLKQ-UHFFFAOYSA-N 1 2 254.293 1.686 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cc1O)Cc1ncccn1 ZINC001233383235 943570565 /nfs/dbraw/zinc/57/05/65/943570565.db2.gz BDTYFIXXJRHLKQ-UHFFFAOYSA-N 1 2 254.293 1.686 20 30 CDEDLO CC(=NO)c1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cc1 ZINC001234083171 943737582 /nfs/dbraw/zinc/73/75/82/943737582.db2.gz GIQHZRVDVUURRU-JGPUMOJJSA-N 1 2 288.347 1.876 20 30 CDEDLO CC(=NO)c1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cc1 ZINC001234083171 943737586 /nfs/dbraw/zinc/73/75/86/943737586.db2.gz GIQHZRVDVUURRU-JGPUMOJJSA-N 1 2 288.347 1.876 20 30 CDEDLO Cn1cc(CN2CCC23C[NH+](CCCC#N)C3)cc1C#N ZINC001277943561 944150165 /nfs/dbraw/zinc/15/01/65/944150165.db2.gz YVLXGKHHLXPRMM-UHFFFAOYSA-N 1 2 283.379 1.461 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1nnc(C)o1 ZINC001235436626 944156246 /nfs/dbraw/zinc/15/62/46/944156246.db2.gz OMEMDDBHLXHULP-UHFFFAOYSA-N 1 2 266.345 1.282 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1nnc(C)o1 ZINC001235436626 944156247 /nfs/dbraw/zinc/15/62/47/944156247.db2.gz OMEMDDBHLXHULP-UHFFFAOYSA-N 1 2 266.345 1.282 20 30 CDEDLO COC(=O)c1cc(C#N)cc(-c2cc[nH+]c(N)c2)c1 ZINC001241171164 946180150 /nfs/dbraw/zinc/18/01/50/946180150.db2.gz WFKZUZQVKYDPAU-UHFFFAOYSA-N 1 2 253.261 1.989 20 30 CDEDLO C=C[C@H]1C[C@@]1([NH2+]C1CCSCC1)C(=O)OCC ZINC001255081898 947719447 /nfs/dbraw/zinc/71/94/47/947719447.db2.gz CKDSYFHGLURFME-GWCFXTLKSA-N 1 2 255.383 1.979 20 30 CDEDLO N#Cc1cc(F)cc(-c2noc([C@@H](CO)n3cc[nH+]c3)n2)c1 ZINC001247260878 948608800 /nfs/dbraw/zinc/60/88/00/948608800.db2.gz HSAGUXRVYIUFSS-GFCCVEGCSA-N 1 2 299.265 1.526 20 30 CDEDLO N#Cc1ccc(-c2noc([C@H]([NH3+])CO)n2)c2ccccc12 ZINC001247492989 948648481 /nfs/dbraw/zinc/64/84/81/948648481.db2.gz NLGMMKJLPKHHGY-CYBMUJFWSA-N 1 2 280.287 1.754 20 30 CDEDLO CC(C)OC1CCC(N2CC[NH2+]C[C@@H]2C#N)CC1 ZINC001257880360 948653021 /nfs/dbraw/zinc/65/30/21/948653021.db2.gz ZBSWNXGTXKPGFQ-MOKVOYLWSA-N 1 2 251.374 1.520 20 30 CDEDLO C#CC[C@H]([NH3+])c1nc(-c2ccc3c(c2)OCCC3=O)no1 ZINC001247613517 948680179 /nfs/dbraw/zinc/68/01/79/948680179.db2.gz MNIDMMHZSPLMPV-NSHDSACASA-N 1 2 283.287 1.725 20 30 CDEDLO C=CCOc1ccc(-c2noc([C@@H]([NH3+])[C@@H](C)O)n2)c(F)c1 ZINC001247617119 948681886 /nfs/dbraw/zinc/68/18/86/948681886.db2.gz LXQRTQFKZJVJGP-PELKAZGASA-N 1 2 293.298 1.821 20 30 CDEDLO C=CCCNC(=S)NCc1c[nH+]cn1CCF ZINC001247691016 948705306 /nfs/dbraw/zinc/70/53/06/948705306.db2.gz FFARICDXYFGDRX-UHFFFAOYSA-N 1 2 256.350 1.393 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc3n2CCC3)CC1 ZINC001248825672 949197524 /nfs/dbraw/zinc/19/75/24/949197524.db2.gz MNTUHHFKTTVWAE-UHFFFAOYSA-N 1 2 287.363 1.713 20 30 CDEDLO C#Cc1cc(Nc2cccc3c2CN(C)C3=O)cc[nH+]1 ZINC001249936861 949900938 /nfs/dbraw/zinc/90/09/38/949900938.db2.gz HZYTVRFPWFEIMH-UHFFFAOYSA-N 1 2 263.300 1.814 20 30 CDEDLO N#Cc1cccc(N2CC[NH+](C[C@H](O)C(F)(F)F)CC2)c1 ZINC001250974920 950510410 /nfs/dbraw/zinc/51/04/10/950510410.db2.gz PVAPKYCTHQYCML-ZDUSSCGKSA-N 1 2 299.296 1.603 20 30 CDEDLO CCCCCCCC[C@H](O)C[N@@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001252130749 951153600 /nfs/dbraw/zinc/15/36/00/951153600.db2.gz XLXGONDXNRQLDX-IHRRRGAJSA-N 1 2 288.407 1.996 20 30 CDEDLO CCCCCCCC[C@H](O)C[N@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001252130749 951153611 /nfs/dbraw/zinc/15/36/11/951153611.db2.gz XLXGONDXNRQLDX-IHRRRGAJSA-N 1 2 288.407 1.996 20 30 CDEDLO C=CCOC[C@H](O)C[NH+]1CC(Oc2ccc(F)c(F)c2)C1 ZINC001252467117 951310875 /nfs/dbraw/zinc/31/08/75/951310875.db2.gz WDKVPDHCTAHEEN-LLVKDONJSA-N 1 2 299.317 1.591 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH2+]C[C@@](C)(O)C=C)[C@@H](C)CC ZINC001252573792 951466601 /nfs/dbraw/zinc/46/66/01/951466601.db2.gz JHSYTCNGNMVJBB-OBJOEFQTSA-N 1 2 255.358 1.657 20 30 CDEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1C[C@@H](O)CCC ZINC001252781928 951632077 /nfs/dbraw/zinc/63/20/77/951632077.db2.gz YKOJLHRKQITGST-JSGCOSHPSA-N 1 2 294.399 1.078 20 30 CDEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1C[C@@H](O)CCC ZINC001252781928 951632083 /nfs/dbraw/zinc/63/20/83/951632083.db2.gz YKOJLHRKQITGST-JSGCOSHPSA-N 1 2 294.399 1.078 20 30 CDEDLO C=C[C@H](O)C[N@@H+]1CCn2cnc(COCC3CC3)c2C1 ZINC001253576343 951963552 /nfs/dbraw/zinc/96/35/52/951963552.db2.gz CDNBPWYXIUUZRW-ZDUSSCGKSA-N 1 2 277.368 1.172 20 30 CDEDLO C=C[C@H](O)C[N@H+]1CCn2cnc(COCC3CC3)c2C1 ZINC001253576343 951963557 /nfs/dbraw/zinc/96/35/57/951963557.db2.gz CDNBPWYXIUUZRW-ZDUSSCGKSA-N 1 2 277.368 1.172 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001325846227 954103396 /nfs/dbraw/zinc/10/33/96/954103396.db2.gz CWPHIOLEQMXPLB-CQSZACIVSA-N 1 2 289.379 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CC[C@H]1CCCO1 ZINC001492194904 955692002 /nfs/dbraw/zinc/69/20/02/955692002.db2.gz IOLBDYSCIVUHHT-GFCCVEGCSA-N 1 2 274.792 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CC[C@H]1CCCO1 ZINC001492194904 955692014 /nfs/dbraw/zinc/69/20/14/955692014.db2.gz IOLBDYSCIVUHHT-GFCCVEGCSA-N 1 2 274.792 1.746 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCNc1cccc[nH+]1 ZINC001306263592 956312728 /nfs/dbraw/zinc/31/27/28/956312728.db2.gz NTHPFHXZAVKOBG-JSGCOSHPSA-N 1 2 275.352 1.591 20 30 CDEDLO N#Cc1ccc(CNC(=O)CCc2c[nH]c[nH+]2)cc1F ZINC001363445185 972173407 /nfs/dbraw/zinc/17/34/07/972173407.db2.gz PITNFROOISDOPC-UHFFFAOYSA-N 1 2 272.283 1.669 20 30 CDEDLO N#Cc1ccc(CNC(=O)CCc2c[nH+]c[nH]2)cc1F ZINC001363445185 972173411 /nfs/dbraw/zinc/17/34/11/972173411.db2.gz PITNFROOISDOPC-UHFFFAOYSA-N 1 2 272.283 1.669 20 30 CDEDLO Cc1cc(C)c(C(=O)N2CC3(C2)CCN(CC#N)C3)c(C)[nH+]1 ZINC001313440760 956857350 /nfs/dbraw/zinc/85/73/50/956857350.db2.gz AGJUSKRLOHZDHY-UHFFFAOYSA-N 1 2 298.390 1.678 20 30 CDEDLO C#CCSCC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001331917056 957333516 /nfs/dbraw/zinc/33/35/16/957333516.db2.gz RIRMSRSXHHOLFN-ZDUSSCGKSA-N 1 2 291.420 1.568 20 30 CDEDLO N#CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001318573704 958179612 /nfs/dbraw/zinc/17/96/12/958179612.db2.gz OKZBOFOKUIGIPW-CYBMUJFWSA-N 1 2 258.325 1.076 20 30 CDEDLO N#CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001318573704 958179621 /nfs/dbraw/zinc/17/96/21/958179621.db2.gz OKZBOFOKUIGIPW-CYBMUJFWSA-N 1 2 258.325 1.076 20 30 CDEDLO N#CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001318573705 958180430 /nfs/dbraw/zinc/18/04/30/958180430.db2.gz OKZBOFOKUIGIPW-ZDUSSCGKSA-N 1 2 258.325 1.076 20 30 CDEDLO N#CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001318573705 958180436 /nfs/dbraw/zinc/18/04/36/958180436.db2.gz OKZBOFOKUIGIPW-ZDUSSCGKSA-N 1 2 258.325 1.076 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCCOC(=O)N(C)C)cc1 ZINC001321437133 959785929 /nfs/dbraw/zinc/78/59/29/959785929.db2.gz YQULTOJWEOHZQG-UHFFFAOYSA-N 1 2 281.312 1.030 20 30 CDEDLO CN(CC[NH+]1CCOCC1)c1cc(C#N)cc(Cl)n1 ZINC001336506357 960372648 /nfs/dbraw/zinc/37/26/48/960372648.db2.gz PNDPQAWESHXMFX-UHFFFAOYSA-N 1 2 280.759 1.375 20 30 CDEDLO C=C(Cl)CN1CC[C@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001418605819 960786737 /nfs/dbraw/zinc/78/67/37/960786737.db2.gz FPKDOKMGLVCMFE-LBPRGKRZSA-N 1 2 296.802 1.546 20 30 CDEDLO CCc1ccccc1C[NH+]1CC(NC(=O)[C@H](C)C#N)C1 ZINC001418976489 961212521 /nfs/dbraw/zinc/21/25/21/961212521.db2.gz QLYWQFWMYABNPY-GFCCVEGCSA-N 1 2 271.364 1.709 20 30 CDEDLO C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC[N@@H+]2C)n1C ZINC001338121477 961645419 /nfs/dbraw/zinc/64/54/19/961645419.db2.gz XBCSDDDGDNYCGQ-QWRGUYRKSA-N 1 2 262.361 1.178 20 30 CDEDLO C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC[N@H+]2C)n1C ZINC001338121477 961645431 /nfs/dbraw/zinc/64/54/31/961645431.db2.gz XBCSDDDGDNYCGQ-QWRGUYRKSA-N 1 2 262.361 1.178 20 30 CDEDLO C=CCN(c1nnc(C[NH+]2CCCCC2)n1C)C1CC1 ZINC001338400210 961778632 /nfs/dbraw/zinc/77/86/32/961778632.db2.gz YJENIITWEIFLMS-UHFFFAOYSA-N 1 2 275.400 1.956 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cccc(OC)n1 ZINC001420045610 962408809 /nfs/dbraw/zinc/40/88/09/962408809.db2.gz NLEDOZGOXDKESK-UHFFFAOYSA-N 1 2 297.786 1.847 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cccc(OC)n1 ZINC001420045610 962408821 /nfs/dbraw/zinc/40/88/21/962408821.db2.gz NLEDOZGOXDKESK-UHFFFAOYSA-N 1 2 297.786 1.847 20 30 CDEDLO CS[C@H](C)C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001420201825 962570028 /nfs/dbraw/zinc/57/00/28/962570028.db2.gz SYXJFDXHIQEGLM-GFCCVEGCSA-N 1 2 291.420 1.858 20 30 CDEDLO CS[C@H](C)C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001420201825 962570042 /nfs/dbraw/zinc/57/00/42/962570042.db2.gz SYXJFDXHIQEGLM-GFCCVEGCSA-N 1 2 291.420 1.858 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccnn1CC ZINC001437592647 963052970 /nfs/dbraw/zinc/05/29/70/963052970.db2.gz RJOMSSXDNJKODW-UHFFFAOYSA-N 1 2 284.791 1.707 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccnn1CC ZINC001437592647 963052981 /nfs/dbraw/zinc/05/29/81/963052981.db2.gz RJOMSSXDNJKODW-UHFFFAOYSA-N 1 2 284.791 1.707 20 30 CDEDLO C=CCN(c1nnc(Cc2[nH+]ccn2C)n1CC=C)C1CC1 ZINC001340732046 963094999 /nfs/dbraw/zinc/09/49/99/963094999.db2.gz ARVLQMHFVXEMER-UHFFFAOYSA-N 1 2 298.394 1.943 20 30 CDEDLO C#C[C@@H](C)N(C)c1nnc(Cc2[nH+]ccn2C)n1CC=C ZINC001340733736 963096115 /nfs/dbraw/zinc/09/61/15/963096115.db2.gz SLDOHFMYOHRLOL-GFCCVEGCSA-N 1 2 284.367 1.246 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)Cn2cccn2)C1 ZINC001421189999 963492047 /nfs/dbraw/zinc/49/20/47/963492047.db2.gz HBBHMRJDRXOREV-ZDUSSCGKSA-N 1 2 282.775 1.216 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)Cn2cccn2)C1 ZINC001421189999 963492050 /nfs/dbraw/zinc/49/20/50/963492050.db2.gz HBBHMRJDRXOREV-ZDUSSCGKSA-N 1 2 282.775 1.216 20 30 CDEDLO C#CCN(CC)c1nnc([C@@H]2CCC[N@@H+]2C)n1CCOC ZINC001343216389 963930769 /nfs/dbraw/zinc/93/07/69/963930769.db2.gz GCJOGSULZWVRME-ZDUSSCGKSA-N 1 2 291.399 1.151 20 30 CDEDLO C#CCN(CC)c1nnc([C@@H]2CCC[N@H+]2C)n1CCOC ZINC001343216389 963930770 /nfs/dbraw/zinc/93/07/70/963930770.db2.gz GCJOGSULZWVRME-ZDUSSCGKSA-N 1 2 291.399 1.151 20 30 CDEDLO CCCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001346199504 964982194 /nfs/dbraw/zinc/98/21/94/964982194.db2.gz YHZQNNFTLSPXMW-UONOGXRCSA-N 1 2 293.411 1.874 20 30 CDEDLO CCCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001346199504 964982200 /nfs/dbraw/zinc/98/22/00/964982200.db2.gz YHZQNNFTLSPXMW-UONOGXRCSA-N 1 2 293.411 1.874 20 30 CDEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)C2(C)CC2)CC1 ZINC001443283052 965425995 /nfs/dbraw/zinc/42/59/95/965425995.db2.gz QBRAFDDXSZMCGJ-UHFFFAOYSA-N 1 2 299.846 1.615 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cccnc1OC ZINC001445796354 966340357 /nfs/dbraw/zinc/34/03/57/966340357.db2.gz JSRSIBQNRLFAME-NSHDSACASA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cccnc1OC ZINC001445796354 966340367 /nfs/dbraw/zinc/34/03/67/966340367.db2.gz JSRSIBQNRLFAME-NSHDSACASA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ncoc1C ZINC001447996138 966958126 /nfs/dbraw/zinc/95/81/26/966958126.db2.gz MZWTXDYDOUEBHE-SECBINFHSA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ncoc1C ZINC001447996138 966958131 /nfs/dbraw/zinc/95/81/31/966958131.db2.gz MZWTXDYDOUEBHE-SECBINFHSA-N 1 2 271.748 1.786 20 30 CDEDLO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)CCn1cc[nH+]c1 ZINC001300271300 967914859 /nfs/dbraw/zinc/91/48/59/967914859.db2.gz NVBWXTVGUPDSAM-UHFFFAOYSA-N 1 2 294.318 1.968 20 30 CDEDLO CC#CCCCC(=O)NCCN(CC)c1cc[nH+]c(C)n1 ZINC001100680143 968934847 /nfs/dbraw/zinc/93/48/47/968934847.db2.gz GSNAXBKNQZWEJL-UHFFFAOYSA-N 1 2 288.395 1.921 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccoc3)n2CC)CC1 ZINC001356562323 969427418 /nfs/dbraw/zinc/42/74/18/969427418.db2.gz USHCBJGDHABKGL-UHFFFAOYSA-N 1 2 299.378 1.237 20 30 CDEDLO CC(F)(F)C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001373493742 973465823 /nfs/dbraw/zinc/46/58/23/973465823.db2.gz ZBDCXKJACMQCRV-UHFFFAOYSA-N 1 2 293.317 1.761 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](CC(C)C)OC ZINC001418496935 973904636 /nfs/dbraw/zinc/90/46/36/973904636.db2.gz NDPDUKSBDYBOIE-GFCCVEGCSA-N 1 2 276.808 1.848 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](CC(C)C)OC ZINC001418496935 973904640 /nfs/dbraw/zinc/90/46/40/973904640.db2.gz NDPDUKSBDYBOIE-GFCCVEGCSA-N 1 2 276.808 1.848 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ncoc1C ZINC001401738232 975859311 /nfs/dbraw/zinc/85/93/11/975859311.db2.gz MROKDWPOSBUMBQ-SECBINFHSA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ncoc1C ZINC001401738232 975859319 /nfs/dbraw/zinc/85/93/19/975859319.db2.gz MROKDWPOSBUMBQ-SECBINFHSA-N 1 2 271.748 1.786 20 30 CDEDLO C[N@H+](CCNC(=O)CC1CC1)Cc1ccccc1C#N ZINC001390722153 976456762 /nfs/dbraw/zinc/45/67/62/976456762.db2.gz MLMHNKDUBSWJFZ-UHFFFAOYSA-N 1 2 271.364 1.906 20 30 CDEDLO C[N@@H+](CCNC(=O)CC1CC1)Cc1ccccc1C#N ZINC001390722153 976456770 /nfs/dbraw/zinc/45/67/70/976456770.db2.gz MLMHNKDUBSWJFZ-UHFFFAOYSA-N 1 2 271.364 1.906 20 30 CDEDLO C[N@H+](CCNC(=O)[C@@H]1CCCO1)Cc1ccccc1C#N ZINC001399435121 976484394 /nfs/dbraw/zinc/48/43/94/976484394.db2.gz ALKOIZPZPJDMAA-HNNXBMFYSA-N 1 2 287.363 1.285 20 30 CDEDLO C[N@@H+](CCNC(=O)[C@@H]1CCCO1)Cc1ccccc1C#N ZINC001399435121 976484401 /nfs/dbraw/zinc/48/44/01/976484401.db2.gz ALKOIZPZPJDMAA-HNNXBMFYSA-N 1 2 287.363 1.285 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCc2cscn2)C1 ZINC001391512642 976925798 /nfs/dbraw/zinc/92/57/98/976925798.db2.gz AUQGSBHQBCTEIO-UHFFFAOYSA-N 1 2 299.827 1.876 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CC2(COC)CC2)C1 ZINC001400466002 977046608 /nfs/dbraw/zinc/04/66/08/977046608.db2.gz GOXQETRDJDVLKZ-UHFFFAOYSA-N 1 2 286.803 1.604 20 30 CDEDLO CC[N@H+](CCNC(=O)[C@H](C)C#N)[C@H](C)c1ncccn1 ZINC001403822684 977215641 /nfs/dbraw/zinc/21/56/41/977215641.db2.gz IWHUVRMLOCKCRT-VXGBXAGGSA-N 1 2 275.356 1.135 20 30 CDEDLO CC[N@@H+](CCNC(=O)[C@H](C)C#N)[C@H](C)c1ncccn1 ZINC001403822684 977215650 /nfs/dbraw/zinc/21/56/50/977215650.db2.gz IWHUVRMLOCKCRT-VXGBXAGGSA-N 1 2 275.356 1.135 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(OC)no1 ZINC001392638923 977519944 /nfs/dbraw/zinc/51/99/44/977519944.db2.gz GTTCEOUZMHOEFQ-VIFPVBQESA-N 1 2 287.747 1.486 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc(OC)no1 ZINC001392638923 977519951 /nfs/dbraw/zinc/51/99/51/977519951.db2.gz GTTCEOUZMHOEFQ-VIFPVBQESA-N 1 2 287.747 1.486 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CC1(COC)CC1 ZINC001392660774 977534074 /nfs/dbraw/zinc/53/40/74/977534074.db2.gz VEALFPVMZLGIBV-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CC1(COC)CC1 ZINC001392660774 977534079 /nfs/dbraw/zinc/53/40/79/977534079.db2.gz VEALFPVMZLGIBV-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1ncccn1 ZINC001132569537 1163379109 /nfs/dbraw/zinc/37/91/09/1163379109.db2.gz UEWWBDXVBVAYKC-VXGBXAGGSA-N 1 2 262.357 1.141 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[NH2+]Cc1ncccn1 ZINC001132667365 1163431999 /nfs/dbraw/zinc/43/19/99/1163431999.db2.gz KBHNZGFIYUUKIT-LBPRGKRZSA-N 1 2 262.357 1.285 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+]Cc1ncccn1 ZINC001133378677 1163662220 /nfs/dbraw/zinc/66/22/20/1163662220.db2.gz KGFSJXWBZGJHSN-CQSZACIVSA-N 1 2 262.357 1.285 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[NH2+]Cc2nc(C(C)C)no2)C1 ZINC001133570324 1163790740 /nfs/dbraw/zinc/79/07/40/1163790740.db2.gz VWVFYPVQHFMEHF-UHFFFAOYSA-N 1 2 292.383 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccnnc1 ZINC001675003866 1174058871 /nfs/dbraw/zinc/05/88/71/1174058871.db2.gz RWIVQVUGOQLGEM-SNVBAGLBSA-N 1 2 268.748 1.279 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccnnc1 ZINC001675003866 1174058877 /nfs/dbraw/zinc/05/88/77/1174058877.db2.gz RWIVQVUGOQLGEM-SNVBAGLBSA-N 1 2 268.748 1.279 20 30 CDEDLO COC(=O)[C@H]([NH2+]Cc1ccc(C#N)cc1C)C1CC1 ZINC000585816497 342456658 /nfs/dbraw/zinc/45/66/58/342456658.db2.gz VMLUYLICBSKNHH-CQSZACIVSA-N 1 2 258.321 1.908 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000332917347 342483560 /nfs/dbraw/zinc/48/35/60/342483560.db2.gz CKBKOBPWBNKOTR-GBJTYRQASA-N 1 2 296.411 1.193 20 30 CDEDLO C[N@@H+]1CCO[C@@H]2CN(CC#Cc3ccccc3Cl)C[C@H]21 ZINC000334658174 341993526 /nfs/dbraw/zinc/99/35/26/341993526.db2.gz GVBBUHUHMIENAR-HZPDHXFCSA-N 1 2 290.794 1.706 20 30 CDEDLO C[N@H+]1CCO[C@@H]2CN(CC#Cc3ccccc3Cl)C[C@H]21 ZINC000334658174 341993527 /nfs/dbraw/zinc/99/35/27/341993527.db2.gz GVBBUHUHMIENAR-HZPDHXFCSA-N 1 2 290.794 1.706 20 30 CDEDLO Cc1c[nH+]ccc1NC(=O)N1CCC(F)(C#N)CC1 ZINC000478935712 365535861 /nfs/dbraw/zinc/53/58/61/365535861.db2.gz PPDBMAYOYWDOCQ-UHFFFAOYSA-N 1 2 262.288 1.672 20 30 CDEDLO Cc1ccc(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)nc1 ZINC000590754285 342587879 /nfs/dbraw/zinc/58/78/79/342587879.db2.gz OLOBVACGBJRVJV-INIZCTEOSA-N 1 2 286.379 1.630 20 30 CDEDLO Cc1ccc(C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)nc1 ZINC000590754285 342587880 /nfs/dbraw/zinc/58/78/80/342587880.db2.gz OLOBVACGBJRVJV-INIZCTEOSA-N 1 2 286.379 1.630 20 30 CDEDLO N#CCN1CCC(NC(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000609329674 342102565 /nfs/dbraw/zinc/10/25/65/342102565.db2.gz UNWHCEVTIPCALS-UHFFFAOYSA-N 1 2 283.335 1.052 20 30 CDEDLO C=CCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000047605725 342103126 /nfs/dbraw/zinc/10/31/26/342103126.db2.gz MOPDRSPCIKXEIR-HNNXBMFYSA-N 1 2 289.379 1.373 20 30 CDEDLO C=CCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000047605725 342103127 /nfs/dbraw/zinc/10/31/27/342103127.db2.gz MOPDRSPCIKXEIR-HNNXBMFYSA-N 1 2 289.379 1.373 20 30 CDEDLO C[NH+](C)Cc1ccsc1C(=O)N=c1[nH][nH]cc1C#N ZINC000601638752 342120434 /nfs/dbraw/zinc/12/04/34/342120434.db2.gz KJJGMWCRIRSEJL-UHFFFAOYSA-N 1 2 275.337 1.079 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N3CCCC3)CC2)cc1 ZINC000591555962 342635129 /nfs/dbraw/zinc/63/51/29/342635129.db2.gz ZKWOUNVIZJMBPY-UHFFFAOYSA-N 1 2 298.390 1.892 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2ccc(C)c(C#N)c2)CCO1 ZINC000599300450 343999283 /nfs/dbraw/zinc/99/92/83/343999283.db2.gz YYPFGRUGRHPEEQ-HNNXBMFYSA-N 1 2 260.337 1.714 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2ccc(C)c(C#N)c2)CCO1 ZINC000599300450 343999284 /nfs/dbraw/zinc/99/92/84/343999284.db2.gz YYPFGRUGRHPEEQ-HNNXBMFYSA-N 1 2 260.337 1.714 20 30 CDEDLO CC(C)(C#N)C[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000591759093 342644152 /nfs/dbraw/zinc/64/41/52/342644152.db2.gz DUKHNYRQWUBYQX-UHFFFAOYSA-N 1 2 284.356 1.739 20 30 CDEDLO COCCN(CCC#N)Cc1c[nH+]cn1C(C)C ZINC000591834511 342648206 /nfs/dbraw/zinc/64/82/06/342648206.db2.gz VULIQWQTOMGSOW-UHFFFAOYSA-N 1 2 250.346 1.826 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000592146305 342673294 /nfs/dbraw/zinc/67/32/94/342673294.db2.gz GZUHKDZCKXNCGE-CQSZACIVSA-N 1 2 294.738 1.919 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000592146305 342673296 /nfs/dbraw/zinc/67/32/96/342673296.db2.gz GZUHKDZCKXNCGE-CQSZACIVSA-N 1 2 294.738 1.919 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000592146207 342673440 /nfs/dbraw/zinc/67/34/40/342673440.db2.gz FXGAPHLUQZZJFV-OAHLLOKOSA-N 1 2 284.319 1.587 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000592146207 342673442 /nfs/dbraw/zinc/67/34/42/342673442.db2.gz FXGAPHLUQZZJFV-OAHLLOKOSA-N 1 2 284.319 1.587 20 30 CDEDLO CN(C(=O)C[NH+]1CCSCC1)C1(C#N)CCCCC1 ZINC000047993823 342151643 /nfs/dbraw/zinc/15/16/43/342151643.db2.gz YDICDBNXKPRDHE-UHFFFAOYSA-N 1 2 281.425 1.720 20 30 CDEDLO N#CC[C@@]1(O)CCN(c2[nH+]cnc3[nH]c4ccccc4c32)C1 ZINC000591973067 342660746 /nfs/dbraw/zinc/66/07/46/342660746.db2.gz IDPSCHIRAFEIIS-MRXNPFEDSA-N 1 2 293.330 1.966 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000592147828 342668083 /nfs/dbraw/zinc/66/80/83/342668083.db2.gz SJQTWTPZILRKGQ-KRWDZBQOSA-N 1 2 299.374 1.464 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000592147828 342668084 /nfs/dbraw/zinc/66/80/84/342668084.db2.gz SJQTWTPZILRKGQ-KRWDZBQOSA-N 1 2 299.374 1.464 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147938 342668093 /nfs/dbraw/zinc/66/80/93/342668093.db2.gz UFYKFUIVZOHDQV-XHDPSFHLSA-N 1 2 291.326 1.503 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147938 342668094 /nfs/dbraw/zinc/66/80/94/342668094.db2.gz UFYKFUIVZOHDQV-XHDPSFHLSA-N 1 2 291.326 1.503 20 30 CDEDLO CC(C)(C)c1cnc(C[N@@H+]2CC[C@](O)(CC#N)C2)o1 ZINC000592148425 342668291 /nfs/dbraw/zinc/66/82/91/342668291.db2.gz YIVBBEIVAHIGCR-CQSZACIVSA-N 1 2 263.341 1.823 20 30 CDEDLO CC(C)(C)c1cnc(C[N@H+]2CC[C@](O)(CC#N)C2)o1 ZINC000592148425 342668292 /nfs/dbraw/zinc/66/82/92/342668292.db2.gz YIVBBEIVAHIGCR-CQSZACIVSA-N 1 2 263.341 1.823 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000592148598 342668383 /nfs/dbraw/zinc/66/83/83/342668383.db2.gz XIUDFLVLBKJHGW-OAHLLOKOSA-N 1 2 292.310 1.543 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000592148598 342668384 /nfs/dbraw/zinc/66/83/84/342668384.db2.gz XIUDFLVLBKJHGW-OAHLLOKOSA-N 1 2 292.310 1.543 20 30 CDEDLO COC(=O)[C@@H](c1ccccc1C)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151026 342668775 /nfs/dbraw/zinc/66/87/75/342668775.db2.gz JGSVTTORAUTCOI-GDBMZVCRSA-N 1 2 288.347 1.560 20 30 CDEDLO COC(=O)[C@@H](c1ccccc1C)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592151026 342668776 /nfs/dbraw/zinc/66/87/76/342668776.db2.gz JGSVTTORAUTCOI-GDBMZVCRSA-N 1 2 288.347 1.560 20 30 CDEDLO C=CCC[C@@H]([NH2+]C[C@@H]1CNc2ccnn2C1)C(=O)OCC ZINC000592514863 342700996 /nfs/dbraw/zinc/70/09/96/342700996.db2.gz GBIKJAZDLCAOSN-CHWSQXEVSA-N 1 2 292.383 1.412 20 30 CDEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@@H](F)C1 ZINC000625458255 342170357 /nfs/dbraw/zinc/17/03/57/342170357.db2.gz VKXMIEHZYQMZBR-GFCCVEGCSA-N 1 2 286.306 1.330 20 30 CDEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CC[C@@H](F)C1 ZINC000625458255 342170358 /nfs/dbraw/zinc/17/03/58/342170358.db2.gz VKXMIEHZYQMZBR-GFCCVEGCSA-N 1 2 286.306 1.330 20 30 CDEDLO CC[N@H+](Cc1cccc(C#N)n1)[C@H](C)CS(=O)(=O)CC ZINC000602468214 342166158 /nfs/dbraw/zinc/16/61/58/342166158.db2.gz KMZJLEMFOKREFC-GFCCVEGCSA-N 1 2 295.408 1.598 20 30 CDEDLO CC[N@@H+](Cc1cccc(C#N)n1)[C@H](C)CS(=O)(=O)CC ZINC000602468214 342166159 /nfs/dbraw/zinc/16/61/59/342166159.db2.gz KMZJLEMFOKREFC-GFCCVEGCSA-N 1 2 295.408 1.598 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@H](CC)CO1 ZINC000593057604 342760182 /nfs/dbraw/zinc/76/01/82/342760182.db2.gz GJXNRVTUSOGHIF-RBSFLKMASA-N 1 2 295.427 1.884 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@H](CC)CO1 ZINC000593057604 342760183 /nfs/dbraw/zinc/76/01/83/342760183.db2.gz GJXNRVTUSOGHIF-RBSFLKMASA-N 1 2 295.427 1.884 20 30 CDEDLO CC[C@]1(O)CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000330282943 529433479 /nfs/dbraw/zinc/43/34/79/529433479.db2.gz VUTHWWYAOLPEIF-WFASDCNBSA-N 1 2 292.383 1.521 20 30 CDEDLO CCO[C@@H](C)c1noc(C[N@H+](C)CCCC#N)n1 ZINC000075886850 342315712 /nfs/dbraw/zinc/31/57/12/342315712.db2.gz JMJSZYXXPHPJJH-JTQLQIEISA-N 1 2 252.318 1.903 20 30 CDEDLO CCO[C@@H](C)c1noc(C[N@@H+](C)CCCC#N)n1 ZINC000075886850 342315713 /nfs/dbraw/zinc/31/57/13/342315713.db2.gz JMJSZYXXPHPJJH-JTQLQIEISA-N 1 2 252.318 1.903 20 30 CDEDLO C[C@@H](NS(=O)(=O)CC1(CC#N)CC1)c1[nH+]ccn1C ZINC000595383414 343052243 /nfs/dbraw/zinc/05/22/43/343052243.db2.gz NATLRNDZCNFIOX-SNVBAGLBSA-N 1 2 282.369 1.094 20 30 CDEDLO N#CCc1ccc(CN2CCn3c[nH+]cc3C2)cc1 ZINC000595489338 343075797 /nfs/dbraw/zinc/07/57/97/343075797.db2.gz HGBYBADIXYQJJB-UHFFFAOYSA-N 1 2 252.321 1.965 20 30 CDEDLO N#CCc1ccc(C[N@@H+]2CCn3cncc3C2)cc1 ZINC000595489338 343075799 /nfs/dbraw/zinc/07/57/99/343075799.db2.gz HGBYBADIXYQJJB-UHFFFAOYSA-N 1 2 252.321 1.965 20 30 CDEDLO N#CCc1ccc(C[N@H+]2CCn3cncc3C2)cc1 ZINC000595489338 343075801 /nfs/dbraw/zinc/07/58/01/343075801.db2.gz HGBYBADIXYQJJB-UHFFFAOYSA-N 1 2 252.321 1.965 20 30 CDEDLO C=CCSCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595492385 343076672 /nfs/dbraw/zinc/07/66/72/343076672.db2.gz LRSPJMVLXGWCIO-ZDUSSCGKSA-N 1 2 299.440 1.022 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000595616549 343110046 /nfs/dbraw/zinc/11/00/46/343110046.db2.gz RUIQLUNRRYZZQW-RISCZKNCSA-N 1 2 275.327 1.978 20 30 CDEDLO N#CC[C@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000595616549 343110047 /nfs/dbraw/zinc/11/00/47/343110047.db2.gz RUIQLUNRRYZZQW-RISCZKNCSA-N 1 2 275.327 1.978 20 30 CDEDLO Cc1ccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c(C)n1 ZINC000329929369 362094354 /nfs/dbraw/zinc/09/43/54/362094354.db2.gz NKJNOZJDHGNUIA-ZIAGYGMSSA-N 1 2 290.367 1.259 20 30 CDEDLO Cc1ccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c(C)n1 ZINC000329929369 362094356 /nfs/dbraw/zinc/09/43/56/362094356.db2.gz NKJNOZJDHGNUIA-ZIAGYGMSSA-N 1 2 290.367 1.259 20 30 CDEDLO Cc1cc(C)c(C#N)c(N(C)CC[NH+]2CCOCC2)n1 ZINC000077963123 342334072 /nfs/dbraw/zinc/33/40/72/342334072.db2.gz VSPVEVUGQAUBOB-UHFFFAOYSA-N 1 2 274.368 1.339 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000121209421 362107807 /nfs/dbraw/zinc/10/78/07/362107807.db2.gz VBEFXRPDPGAMFW-GJZGRUSLSA-N 1 2 299.374 1.810 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000121209421 362107811 /nfs/dbraw/zinc/10/78/11/362107811.db2.gz VBEFXRPDPGAMFW-GJZGRUSLSA-N 1 2 299.374 1.810 20 30 CDEDLO C=CC[NH+](CC=C)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000079795805 342347606 /nfs/dbraw/zinc/34/76/06/342347606.db2.gz AHBBESQJJULASV-OAHLLOKOSA-N 1 2 295.404 1.798 20 30 CDEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCOC[C@H]1CO ZINC000595717360 343138470 /nfs/dbraw/zinc/13/84/70/343138470.db2.gz QDSVBYJURQOSPK-CQSZACIVSA-N 1 2 274.364 1.681 20 30 CDEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCOC[C@H]1CO ZINC000595717360 343138471 /nfs/dbraw/zinc/13/84/71/343138471.db2.gz QDSVBYJURQOSPK-CQSZACIVSA-N 1 2 274.364 1.681 20 30 CDEDLO Cc1cc(NCc2ncc3c(n2)CCC3)c(C#N)c[nH+]1 ZINC000596263201 343279095 /nfs/dbraw/zinc/27/90/95/343279095.db2.gz ARUMZNOSVJPWRL-UHFFFAOYSA-N 1 2 265.320 1.574 20 30 CDEDLO C[C@@H]1C[N@H+](CCNc2ncccc2C#N)[C@@H](C)CO1 ZINC000596430219 343319040 /nfs/dbraw/zinc/31/90/40/343319040.db2.gz KPFHUESPPWRCBH-NWDGAFQWSA-N 1 2 260.341 1.474 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNc2ncccc2C#N)[C@@H](C)CO1 ZINC000596430219 343319041 /nfs/dbraw/zinc/31/90/41/343319041.db2.gz KPFHUESPPWRCBH-NWDGAFQWSA-N 1 2 260.341 1.474 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1cccnc1C#N ZINC000596430735 343319244 /nfs/dbraw/zinc/31/92/44/343319244.db2.gz OKGZPSRWAYVVSD-NEPJUHHUSA-N 1 2 260.341 1.474 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1cccnc1C#N ZINC000596430735 343319246 /nfs/dbraw/zinc/31/92/46/343319246.db2.gz OKGZPSRWAYVVSD-NEPJUHHUSA-N 1 2 260.341 1.474 20 30 CDEDLO C[C@@H](Nc1nccc(C#N)c1[N+](=O)[O-])c1[nH+]ccn1C ZINC000596543301 343347020 /nfs/dbraw/zinc/34/70/20/343347020.db2.gz RJPOPNXRIBHXQW-MRVPVSSYSA-N 1 2 272.268 1.190 20 30 CDEDLO N#Cc1ncccc1N1CCN(c2cccc[nH+]2)CC1 ZINC000129831413 136388303 /nfs/dbraw/zinc/38/83/03/136388303.db2.gz LQNDNIAJILDZIM-UHFFFAOYSA-N 1 2 265.320 1.675 20 30 CDEDLO CC[C@@H](C(=O)N([C@H](C)C#N)C1CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000598135982 343724861 /nfs/dbraw/zinc/72/48/61/343724861.db2.gz FARQOSNWNFJSNX-YUELXQCFSA-N 1 2 293.411 1.779 20 30 CDEDLO CC[C@@H](C(=O)N([C@H](C)C#N)C1CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000598135982 343724864 /nfs/dbraw/zinc/72/48/64/343724864.db2.gz FARQOSNWNFJSNX-YUELXQCFSA-N 1 2 293.411 1.779 20 30 CDEDLO Cc1nc([C@H]2C[N@H+](C[C@@H](O)CC(C)(C)C#N)CCO2)no1 ZINC000598591205 343837661 /nfs/dbraw/zinc/83/76/61/343837661.db2.gz WHITYYHNLJZOMJ-NWDGAFQWSA-N 1 2 294.355 1.052 20 30 CDEDLO Cc1nc([C@H]2C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CCO2)no1 ZINC000598591205 343837664 /nfs/dbraw/zinc/83/76/64/343837664.db2.gz WHITYYHNLJZOMJ-NWDGAFQWSA-N 1 2 294.355 1.052 20 30 CDEDLO Cc1nc(C(C)(C)[NH2+]C[C@H](O)CC(C)(C)C#N)no1 ZINC000598596378 343840698 /nfs/dbraw/zinc/84/06/98/343840698.db2.gz PAQALWZCLXGZRQ-SNVBAGLBSA-N 1 2 266.345 1.504 20 30 CDEDLO N#Cc1cccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000598950254 343933592 /nfs/dbraw/zinc/93/35/92/343933592.db2.gz PRJQSVUYWTVFHF-ZDUSSCGKSA-N 1 2 266.304 1.500 20 30 CDEDLO Cc1cc(N[C@H]2CCO[C@H](c3cnn(C)c3)C2)c(C#N)c[nH+]1 ZINC000599106344 343955123 /nfs/dbraw/zinc/95/51/23/343955123.db2.gz FRLANIISAACXSJ-HOCLYGCPSA-N 1 2 297.362 1.749 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000599455165 344066798 /nfs/dbraw/zinc/06/67/98/344066798.db2.gz IEZYJFKNWAGIQX-LBPRGKRZSA-N 1 2 285.269 1.951 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000599455165 344066801 /nfs/dbraw/zinc/06/68/01/344066801.db2.gz IEZYJFKNWAGIQX-LBPRGKRZSA-N 1 2 285.269 1.951 20 30 CDEDLO CCC(C#N)(CC)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000599540932 344086998 /nfs/dbraw/zinc/08/69/98/344086998.db2.gz DLSJSTJNDZVBQX-GFCCVEGCSA-N 1 2 262.357 1.965 20 30 CDEDLO Cn1ncc(Br)c1C[NH2+]C[C@H](C#N)CCC#N ZINC000601932567 344284642 /nfs/dbraw/zinc/28/46/42/344284642.db2.gz GSAKGKYEYCGDPC-VIFPVBQESA-N 1 2 296.172 1.716 20 30 CDEDLO Cc1cn2ccc(C(=O)N[C@@]3(C#N)CCSC3)cc2[nH+]1 ZINC000602085100 344329429 /nfs/dbraw/zinc/32/94/29/344329429.db2.gz GONVEZJBYAGVRQ-CQSZACIVSA-N 1 2 286.360 1.772 20 30 CDEDLO CC[C@H](CC#N)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000602136027 344346456 /nfs/dbraw/zinc/34/64/56/344346456.db2.gz NCUHJVKZLPWHMH-LLVKDONJSA-N 1 2 284.319 2.000 20 30 CDEDLO COC(=O)c1csc(C[NH+]2CCN(CC#N)CC2)c1 ZINC000602454589 344436218 /nfs/dbraw/zinc/43/62/18/344436218.db2.gz LMRSVEOKHVWKKD-UHFFFAOYSA-N 1 2 279.365 1.176 20 30 CDEDLO Cc1n[nH]cc1C[N@@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000602937713 344664745 /nfs/dbraw/zinc/66/47/45/344664745.db2.gz LRIOAXOHVXVMRA-IUODEOHRSA-N 1 2 291.399 1.593 20 30 CDEDLO Cc1n[nH]cc1C[N@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000602937713 344664749 /nfs/dbraw/zinc/66/47/49/344664749.db2.gz LRIOAXOHVXVMRA-IUODEOHRSA-N 1 2 291.399 1.593 20 30 CDEDLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[NH2+][C@@H](C)CC#N)C1 ZINC000602863813 344631637 /nfs/dbraw/zinc/63/16/37/344631637.db2.gz PSYZKAIJZBBRGC-YNEHKIRRSA-N 1 2 295.383 1.068 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(C)Cc1ccc(F)cc1 ZINC000602865196 344638402 /nfs/dbraw/zinc/63/84/02/344638402.db2.gz UKRHPKUZZMOULR-NSHDSACASA-N 1 2 263.316 1.676 20 30 CDEDLO CC1CCN(C(=O)C[N@@H+]2CCC[C@@](C)(C#N)C2)CC1 ZINC000612167887 347065959 /nfs/dbraw/zinc/06/59/59/347065959.db2.gz YKAVEVJNVTZGFQ-HNNXBMFYSA-N 1 2 263.385 1.871 20 30 CDEDLO CC1CCN(C(=O)C[N@H+]2CCC[C@@](C)(C#N)C2)CC1 ZINC000612167887 347065960 /nfs/dbraw/zinc/06/59/60/347065960.db2.gz YKAVEVJNVTZGFQ-HNNXBMFYSA-N 1 2 263.385 1.871 20 30 CDEDLO C[NH+]1CCC(C#N)(NC(=O)c2[nH]nc3c2CCCC3)CC1 ZINC000603885955 344843143 /nfs/dbraw/zinc/84/31/43/344843143.db2.gz ISXRTEVKSCSHHI-UHFFFAOYSA-N 1 2 287.367 1.006 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000408099190 260229981 /nfs/dbraw/zinc/22/99/81/260229981.db2.gz YAGPCGBNBJEXEE-XJKCOSOUSA-N 1 2 295.427 1.929 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000408099190 260229982 /nfs/dbraw/zinc/22/99/82/260229982.db2.gz YAGPCGBNBJEXEE-XJKCOSOUSA-N 1 2 295.427 1.929 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000030195900 345029525 /nfs/dbraw/zinc/02/95/25/345029525.db2.gz ITLMIGCEHTVCAL-IUODEOHRSA-N 1 2 281.400 1.540 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000030195900 345029526 /nfs/dbraw/zinc/02/95/26/345029526.db2.gz ITLMIGCEHTVCAL-IUODEOHRSA-N 1 2 281.400 1.540 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C(=O)OC)CC1 ZINC000052278975 345238124 /nfs/dbraw/zinc/23/81/24/345238124.db2.gz JBCIZVBGDJSUKE-CYBMUJFWSA-N 1 2 297.399 1.184 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+](C)CC(=O)NC(C)C ZINC000120576718 362584327 /nfs/dbraw/zinc/58/43/27/362584327.db2.gz HQEGJHQEYISMGB-UHFFFAOYSA-N 1 2 275.352 1.523 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+](C)CC(=O)NC(C)C ZINC000120576718 362584333 /nfs/dbraw/zinc/58/43/33/362584333.db2.gz HQEGJHQEYISMGB-UHFFFAOYSA-N 1 2 275.352 1.523 20 30 CDEDLO C[C@H](C#N)CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000609523763 345592681 /nfs/dbraw/zinc/59/26/81/345592681.db2.gz NAEIHWMHYDGUSW-CYBMUJFWSA-N 1 2 287.363 1.408 20 30 CDEDLO N#CC1(C(=O)NCC[NH+]2Cc3ccccc3C2)CCC1 ZINC000609874613 346029159 /nfs/dbraw/zinc/02/91/59/346029159.db2.gz WCJHKRHWNNWKNU-UHFFFAOYSA-N 1 2 269.348 1.812 20 30 CDEDLO CC1CC(C#N)(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000610712726 346373495 /nfs/dbraw/zinc/37/34/95/346373495.db2.gz ZIIQYRIZGKCDRN-OWYJLGKBSA-N 1 2 272.352 1.986 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)c1ccc(C#N)cn1 ZINC000584831394 346449234 /nfs/dbraw/zinc/44/92/34/346449234.db2.gz SSIRIRGAWRDBMA-UHFFFAOYSA-N 1 2 268.276 1.287 20 30 CDEDLO COC(=O)c1coc(C[NH+]2CCN(CCC#N)CC2)c1 ZINC000611176145 346632037 /nfs/dbraw/zinc/63/20/37/346632037.db2.gz UQVDGZSYIQDMHA-UHFFFAOYSA-N 1 2 277.324 1.097 20 30 CDEDLO C=CCC1(C(=O)NCCC[N@@H+]2CCNC(=O)C2)CCCC1 ZINC000450206991 362802784 /nfs/dbraw/zinc/80/27/84/362802784.db2.gz AFKSVNAIHUZVEI-UHFFFAOYSA-N 1 2 293.411 1.061 20 30 CDEDLO C=CCC1(C(=O)NCCC[N@H+]2CCNC(=O)C2)CCCC1 ZINC000450206991 362802792 /nfs/dbraw/zinc/80/27/92/362802792.db2.gz AFKSVNAIHUZVEI-UHFFFAOYSA-N 1 2 293.411 1.061 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000619704900 347999660 /nfs/dbraw/zinc/99/96/60/347999660.db2.gz WHISNPKANVLQEV-DGCLKSJQSA-N 1 2 273.336 1.518 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000619717772 348185697 /nfs/dbraw/zinc/18/56/97/348185697.db2.gz IQWSRDLBKHCPRT-NEPJUHHUSA-N 1 2 290.367 1.131 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000619717772 348185699 /nfs/dbraw/zinc/18/56/99/348185699.db2.gz IQWSRDLBKHCPRT-NEPJUHHUSA-N 1 2 290.367 1.131 20 30 CDEDLO C=C[C@H](C(=O)OC)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000619718720 348187753 /nfs/dbraw/zinc/18/77/53/348187753.db2.gz YKNKHSYFDWICJT-UKRRQHHQSA-N 1 2 289.379 1.488 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615556450 348587006 /nfs/dbraw/zinc/58/70/06/348587006.db2.gz AZMPOZJOCZWWRQ-CQSZACIVSA-N 1 2 280.412 1.912 20 30 CDEDLO C[C@@H](C#N)CN(C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000045426294 348773006 /nfs/dbraw/zinc/77/30/06/348773006.db2.gz LAVBGYQKESHTLH-LBPRGKRZSA-N 1 2 285.351 1.678 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000066313947 348979369 /nfs/dbraw/zinc/97/93/69/348979369.db2.gz LTAQZNVCEAFICU-LBPRGKRZSA-N 1 2 277.368 1.745 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000068477587 349068137 /nfs/dbraw/zinc/06/81/37/349068137.db2.gz YAGPCGBNBJEXEE-WWGRRREGSA-N 1 2 295.427 1.929 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000068477587 349068141 /nfs/dbraw/zinc/06/81/41/349068141.db2.gz YAGPCGBNBJEXEE-WWGRRREGSA-N 1 2 295.427 1.929 20 30 CDEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](CO)C2)c1C#N ZINC000091070190 349309352 /nfs/dbraw/zinc/30/93/52/349309352.db2.gz NHYWLOQSMSYMHM-CQSZACIVSA-N 1 2 296.374 1.867 20 30 CDEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](CO)C2)c1C#N ZINC000091070190 349309356 /nfs/dbraw/zinc/30/93/56/349309356.db2.gz NHYWLOQSMSYMHM-CQSZACIVSA-N 1 2 296.374 1.867 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)n1 ZINC000602443033 350110666 /nfs/dbraw/zinc/11/06/66/350110666.db2.gz GEGMWLCBYNHEQA-AWEZNQCLSA-N 1 2 270.336 1.196 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)n1 ZINC000602443033 350110669 /nfs/dbraw/zinc/11/06/69/350110669.db2.gz GEGMWLCBYNHEQA-AWEZNQCLSA-N 1 2 270.336 1.196 20 30 CDEDLO COCc1cc(C#N)ccc1N(C)CC[NH+]1CCOCC1 ZINC000603286062 350246255 /nfs/dbraw/zinc/24/62/55/350246255.db2.gz FRQYIPFOQLAIKO-UHFFFAOYSA-N 1 2 289.379 1.473 20 30 CDEDLO C=CC[N@H+](Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361652 180368309 /nfs/dbraw/zinc/36/83/09/180368309.db2.gz HNCFIRQKJLPENY-GFCCVEGCSA-N 1 2 271.407 1.923 20 30 CDEDLO C=CC[N@@H+](Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361652 180368310 /nfs/dbraw/zinc/36/83/10/180368310.db2.gz HNCFIRQKJLPENY-GFCCVEGCSA-N 1 2 271.407 1.923 20 30 CDEDLO N#CCc1ccc(OC[C@H](O)Cn2cc[nH+]c2)cc1 ZINC000025866023 358482044 /nfs/dbraw/zinc/48/20/44/358482044.db2.gz WPTSDUICJGFKPA-CYBMUJFWSA-N 1 2 257.293 1.389 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCc1ccccc1C ZINC000174529462 188903402 /nfs/dbraw/zinc/90/34/02/188903402.db2.gz FNGOEVBTEBVTCK-UHFFFAOYSA-N 1 2 254.333 1.180 20 30 CDEDLO C=CCCCS(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000293608760 198700605 /nfs/dbraw/zinc/70/06/05/198700605.db2.gz YEAFUDYPIXMZPT-UHFFFAOYSA-N 1 2 283.397 1.816 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000559054199 356084468 /nfs/dbraw/zinc/08/44/68/356084468.db2.gz QMTMAEAFZFODFF-NSHDSACASA-N 1 2 269.308 1.277 20 30 CDEDLO C=CC[C@@H](C(=O)N1CC[NH+](CCO)CC1)c1ccccc1 ZINC000188172046 356348748 /nfs/dbraw/zinc/34/87/48/356348748.db2.gz PJZRGDKWHFCZBE-MRXNPFEDSA-N 1 2 288.391 1.483 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Nc1nccc(C#N)c1Cl ZINC000235442350 140235329 /nfs/dbraw/zinc/23/53/29/140235329.db2.gz JKCNBBWTEHNGQN-SNVBAGLBSA-N 1 2 280.759 1.739 20 30 CDEDLO O=C(CN1CCCCCCC1=O)NCc1c[nH+]c[nH]1 ZINC000329747921 538637764 /nfs/dbraw/zinc/63/77/64/538637764.db2.gz SRDWMTVELNMGPC-UHFFFAOYSA-N 1 2 264.329 1.659 20 30 CDEDLO O=C(CN1CCCCCCC1=O)NCc1c[nH]c[nH+]1 ZINC000329747921 538637772 /nfs/dbraw/zinc/63/77/72/538637772.db2.gz SRDWMTVELNMGPC-UHFFFAOYSA-N 1 2 264.329 1.659 20 30 CDEDLO CCOC(=O)[C@H](C)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344104203 356887758 /nfs/dbraw/zinc/88/77/58/356887758.db2.gz HAORGJPJBWYCIF-ZDUSSCGKSA-N 1 2 290.363 1.958 20 30 CDEDLO CCOC(=O)[C@H](C)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344104203 356887760 /nfs/dbraw/zinc/88/77/60/356887760.db2.gz HAORGJPJBWYCIF-ZDUSSCGKSA-N 1 2 290.363 1.958 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCc2n[nH]cc2C1 ZINC000118854693 357039125 /nfs/dbraw/zinc/03/91/25/357039125.db2.gz MIGYPOHJYKPODX-NSHDSACASA-N 1 2 295.346 1.667 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCc2n[nH]cc2C1 ZINC000118854693 357039128 /nfs/dbraw/zinc/03/91/28/357039128.db2.gz MIGYPOHJYKPODX-NSHDSACASA-N 1 2 295.346 1.667 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)Nc1ccc(F)cc1C#N ZINC000334606435 357606967 /nfs/dbraw/zinc/60/69/67/357606967.db2.gz GTTHZOSJCYBGJG-UHFFFAOYSA-N 1 2 273.271 1.753 20 30 CDEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(C#N)cn1)CCO2 ZINC000566416564 357665571 /nfs/dbraw/zinc/66/55/71/357665571.db2.gz NBIYSUOWBMWZTA-SWLSCSKDSA-N 1 2 273.336 1.333 20 30 CDEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(C#N)cn1)CCO2 ZINC000566416564 357665576 /nfs/dbraw/zinc/66/55/76/357665576.db2.gz NBIYSUOWBMWZTA-SWLSCSKDSA-N 1 2 273.336 1.333 20 30 CDEDLO COC[C@@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000187696255 357797929 /nfs/dbraw/zinc/79/79/29/357797929.db2.gz ZYGSEXAIDZZCDR-DOMZBBRYSA-N 1 2 260.337 1.966 20 30 CDEDLO COC[C@@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000187696255 357797932 /nfs/dbraw/zinc/79/79/32/357797932.db2.gz ZYGSEXAIDZZCDR-DOMZBBRYSA-N 1 2 260.337 1.966 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)c1cc(C#N)ccc1Cl ZINC000335666618 357945078 /nfs/dbraw/zinc/94/50/78/357945078.db2.gz VCJRFTYLAIRCGA-UHFFFAOYSA-N 1 2 274.711 1.875 20 30 CDEDLO CC[NH+](CC)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000078491037 358040064 /nfs/dbraw/zinc/04/00/64/358040064.db2.gz AVDIKEWEFVOSOM-LBPRGKRZSA-N 1 2 298.346 1.853 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000559054197 358075711 /nfs/dbraw/zinc/07/57/11/358075711.db2.gz QMTMAEAFZFODFF-LLVKDONJSA-N 1 2 269.308 1.277 20 30 CDEDLO CCOC(=O)C[N@@H+](Cc1cc(C#N)n(C)c1)CC(C)C ZINC000191245904 358122036 /nfs/dbraw/zinc/12/20/36/358122036.db2.gz RMVNTSQHHHLGJM-UHFFFAOYSA-N 1 2 277.368 1.918 20 30 CDEDLO CCOC(=O)C[N@H+](Cc1cc(C#N)n(C)c1)CC(C)C ZINC000191245904 358122040 /nfs/dbraw/zinc/12/20/40/358122040.db2.gz RMVNTSQHHHLGJM-UHFFFAOYSA-N 1 2 277.368 1.918 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cccc(C#N)c1 ZINC000567246522 358650043 /nfs/dbraw/zinc/65/00/43/358650043.db2.gz MRYOTNVXVBRBEW-LLVKDONJSA-N 1 2 268.320 1.776 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cccc(C#N)c1 ZINC000567246522 358650050 /nfs/dbraw/zinc/65/00/50/358650050.db2.gz MRYOTNVXVBRBEW-LLVKDONJSA-N 1 2 268.320 1.776 20 30 CDEDLO C=CCOc1cccc(NC(=O)[C@@H]2COCC[NH2+]2)c1 ZINC000236680904 358798973 /nfs/dbraw/zinc/79/89/73/358798973.db2.gz MELLRRLYKCANEH-ZDUSSCGKSA-N 1 2 262.309 1.178 20 30 CDEDLO C[C@H](CNC(=O)c1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000029958025 358836248 /nfs/dbraw/zinc/83/62/48/358836248.db2.gz WWCXDGGBKDCMBX-GFCCVEGCSA-N 1 2 273.336 1.009 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000494893441 366513934 /nfs/dbraw/zinc/51/39/34/366513934.db2.gz OPQVYTDZGSODSB-CQSZACIVSA-N 1 2 295.427 1.847 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000494893441 366513941 /nfs/dbraw/zinc/51/39/41/366513941.db2.gz OPQVYTDZGSODSB-CQSZACIVSA-N 1 2 295.427 1.847 20 30 CDEDLO N#Cc1nccnc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000263926980 359073836 /nfs/dbraw/zinc/07/38/36/359073836.db2.gz VSIUWDIWZONYOH-UHFFFAOYSA-N 1 2 296.334 1.192 20 30 CDEDLO C=CCCCC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000267041849 359349387 /nfs/dbraw/zinc/34/93/87/359349387.db2.gz CTJCGDXWQLNFCG-UHFFFAOYSA-N 1 2 289.379 1.891 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1nncn1C ZINC000275127316 359529953 /nfs/dbraw/zinc/52/99/53/359529953.db2.gz BFNKOJOSOLROPC-NEPJUHHUSA-N 1 2 277.372 1.055 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N(C)CC#Cc1ccc(F)cc1 ZINC000279662608 359590812 /nfs/dbraw/zinc/59/08/12/359590812.db2.gz DBNTZPCAHFLYKG-OAHLLOKOSA-N 1 2 290.382 1.830 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Nc1nc(Cl)c(C#N)s1 ZINC000235127857 359778439 /nfs/dbraw/zinc/77/84/39/359778439.db2.gz NYSUZPKVKLAKQR-QMMMGPOBSA-N 1 2 286.788 1.801 20 30 CDEDLO C[C@H](C#N)CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000335404496 360223965 /nfs/dbraw/zinc/22/39/65/360223965.db2.gz HVTWKXMCPTWAIY-GHMZBOCLSA-N 1 2 261.329 1.458 20 30 CDEDLO C=CCC1(C(=O)N2CC[NH+](CCOC)CC2)CCOCC1 ZINC000424663100 360333612 /nfs/dbraw/zinc/33/36/12/360333612.db2.gz YUFKWPBNDKAJOH-UHFFFAOYSA-N 1 2 296.411 1.150 20 30 CDEDLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)CC1(C#N)CCCCC1 ZINC000355849430 360386296 /nfs/dbraw/zinc/38/62/96/360386296.db2.gz YGRSHYWLPXSMRY-ZDUSSCGKSA-N 1 2 299.440 1.426 20 30 CDEDLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)CC1(C#N)CCCCC1 ZINC000355849430 360386300 /nfs/dbraw/zinc/38/63/00/360386300.db2.gz YGRSHYWLPXSMRY-ZDUSSCGKSA-N 1 2 299.440 1.426 20 30 CDEDLO C=CC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000335548343 360403919 /nfs/dbraw/zinc/40/39/19/360403919.db2.gz NQEGFHZKYAVMLR-ZDUSSCGKSA-N 1 2 259.353 1.870 20 30 CDEDLO O=C1C[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]2CCCC[C@H]2N1 ZINC000245944155 360772862 /nfs/dbraw/zinc/77/28/62/360772862.db2.gz NJWBMFWOCUZNKF-HZPDHXFCSA-N 1 2 286.350 1.920 20 30 CDEDLO O=C1C[N@H+](CC#Cc2ccc(F)cc2)[C@@H]2CCCC[C@H]2N1 ZINC000245944155 360772865 /nfs/dbraw/zinc/77/28/65/360772865.db2.gz NJWBMFWOCUZNKF-HZPDHXFCSA-N 1 2 286.350 1.920 20 30 CDEDLO Cc1csc2nc(C[N@@H+](C)[C@@H](C)CC#N)cc(=O)n12 ZINC000129628055 360864777 /nfs/dbraw/zinc/86/47/77/360864777.db2.gz SQPLJGFZKNUAGS-VIFPVBQESA-N 1 2 276.365 1.798 20 30 CDEDLO Cc1csc2nc(C[N@H+](C)[C@@H](C)CC#N)cc(=O)n12 ZINC000129628055 360864782 /nfs/dbraw/zinc/86/47/82/360864782.db2.gz SQPLJGFZKNUAGS-VIFPVBQESA-N 1 2 276.365 1.798 20 30 CDEDLO CC[C@H]1C[N@H+](CCNC(=O)NCC2(CC#N)CC2)CCO1 ZINC000431192806 360979579 /nfs/dbraw/zinc/97/95/79/360979579.db2.gz HXNCPTQIUVKIGJ-ZDUSSCGKSA-N 1 2 294.399 1.090 20 30 CDEDLO CC[C@H]1C[N@@H+](CCNC(=O)NCC2(CC#N)CC2)CCO1 ZINC000431192806 360979586 /nfs/dbraw/zinc/97/95/86/360979586.db2.gz HXNCPTQIUVKIGJ-ZDUSSCGKSA-N 1 2 294.399 1.090 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N(CC)C[C@H](C)C#N)C[C@@H](C)O1 ZINC000247672100 361163115 /nfs/dbraw/zinc/16/31/15/361163115.db2.gz QARKZPFDXNOAII-MGPQQGTHSA-N 1 2 281.400 1.494 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)C[C@@H](C)O1 ZINC000247672100 361163122 /nfs/dbraw/zinc/16/31/22/361163122.db2.gz QARKZPFDXNOAII-MGPQQGTHSA-N 1 2 281.400 1.494 20 30 CDEDLO COc1ccc(OC)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000562322680 361278707 /nfs/dbraw/zinc/27/87/07/361278707.db2.gz BXQHFEBLJAEKDS-OAHLLOKOSA-N 1 2 291.351 1.277 20 30 CDEDLO COCc1noc(C[N@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000181959436 189310954 /nfs/dbraw/zinc/31/09/54/189310954.db2.gz ZUEVGFSECGWKTI-UHFFFAOYSA-N 1 2 272.308 1.720 20 30 CDEDLO COCc1noc(C[N@@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000181959436 189310955 /nfs/dbraw/zinc/31/09/55/189310955.db2.gz ZUEVGFSECGWKTI-UHFFFAOYSA-N 1 2 272.308 1.720 20 30 CDEDLO Cn1cc(C[NH+]2CCOCC2)c(-c2ccc(C#N)cc2)n1 ZINC000183243276 189351492 /nfs/dbraw/zinc/35/14/92/189351492.db2.gz ACQAZJUBKDSJPY-UHFFFAOYSA-N 1 2 282.347 1.791 20 30 CDEDLO C[C@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CCS1(=O)=O ZINC000329112013 361450050 /nfs/dbraw/zinc/45/00/50/361450050.db2.gz KJYYBAJGDKJOJD-RYUDHWBXSA-N 1 2 288.413 1.250 20 30 CDEDLO CCN1CCOC[C@@H]1C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000329353590 361488741 /nfs/dbraw/zinc/48/87/41/361488741.db2.gz FEDKYEHHBXXEKW-CYBMUJFWSA-N 1 2 288.351 1.951 20 30 CDEDLO C#C[C@@H](C)[NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000184692382 189392280 /nfs/dbraw/zinc/39/22/80/189392280.db2.gz ODLFNQPNKBDVPB-YGRLFVJLSA-N 1 2 260.312 1.757 20 30 CDEDLO CO[C@@H]1C[C@@H]([NH+]=C([O-])N2CCn3c[nH+]cc3C2)C1(C)C ZINC000329650626 361647822 /nfs/dbraw/zinc/64/78/22/361647822.db2.gz KATCGLCOEDKMKS-VXGBXAGGSA-N 1 2 278.356 1.426 20 30 CDEDLO CO[C@@H]1C[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)C1(C)C ZINC000329650626 361647827 /nfs/dbraw/zinc/64/78/27/361647827.db2.gz KATCGLCOEDKMKS-VXGBXAGGSA-N 1 2 278.356 1.426 20 30 CDEDLO C=CCCS(=O)(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159303792 361653870 /nfs/dbraw/zinc/65/38/70/361653870.db2.gz FFMZFDOHGZPWTD-GFCCVEGCSA-N 1 2 281.381 1.156 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1cccc(C)n1 ZINC000437910383 361696168 /nfs/dbraw/zinc/69/61/68/361696168.db2.gz PDQIVMBJNBGFJC-ZDUSSCGKSA-N 1 2 288.395 1.830 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1cccc(C)n1 ZINC000437910383 361696173 /nfs/dbraw/zinc/69/61/73/361696173.db2.gz PDQIVMBJNBGFJC-ZDUSSCGKSA-N 1 2 288.395 1.830 20 30 CDEDLO C[C@H]1CCN(c2ccc(C#N)c(N)n2)C[C@H]1n1cc[nH+]c1 ZINC000580212262 363893441 /nfs/dbraw/zinc/89/34/41/363893441.db2.gz FAZLXCJYHWQKOS-WCQYABFASA-N 1 2 282.351 1.819 20 30 CDEDLO CCN1CCN(c2ccc(C#N)c(N)n2)C[C@H]1c1[nH]cc[nH+]1 ZINC000580346933 363903448 /nfs/dbraw/zinc/90/34/48/363903448.db2.gz FAJRXUYRZAFOHG-LBPRGKRZSA-N 1 2 297.366 1.142 20 30 CDEDLO CCC[N@H+](CC(=O)NC)Cc1cc(C#N)ccc1F ZINC000042267558 364551910 /nfs/dbraw/zinc/55/19/10/364551910.db2.gz KWUJOFDESMTOOK-UHFFFAOYSA-N 1 2 263.316 1.655 20 30 CDEDLO CCC[N@@H+](CC(=O)NC)Cc1cc(C#N)ccc1F ZINC000042267558 364551913 /nfs/dbraw/zinc/55/19/13/364551913.db2.gz KWUJOFDESMTOOK-UHFFFAOYSA-N 1 2 263.316 1.655 20 30 CDEDLO C[C@@H](CNc1nccc(C#N)c1Cl)Cn1cc[nH+]c1 ZINC000347113481 364915854 /nfs/dbraw/zinc/91/58/54/364915854.db2.gz UXJPUNWLTJPMQY-JTQLQIEISA-N 1 2 275.743 1.973 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(C)c(OC)c2)nn1 ZINC000641113149 365066309 /nfs/dbraw/zinc/06/63/09/365066309.db2.gz YCRDJFKTDLDWAI-UHFFFAOYSA-N 1 2 284.363 1.756 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000275763654 193122183 /nfs/dbraw/zinc/12/21/83/193122183.db2.gz SAKWSOQKAZNSTL-NWDGAFQWSA-N 1 2 277.372 1.055 20 30 CDEDLO C=CC[N@H+](CC(=O)Nc1ccccn1)[C@H](C)COC ZINC000639784791 365447184 /nfs/dbraw/zinc/44/71/84/365447184.db2.gz NRMMXLWKUPEEQI-GFCCVEGCSA-N 1 2 263.341 1.543 20 30 CDEDLO C=CC[N@@H+](CC(=O)Nc1ccccn1)[C@H](C)COC ZINC000639784791 365447187 /nfs/dbraw/zinc/44/71/87/365447187.db2.gz NRMMXLWKUPEEQI-GFCCVEGCSA-N 1 2 263.341 1.543 20 30 CDEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000271071731 366965674 /nfs/dbraw/zinc/96/56/74/366965674.db2.gz LWPHNIJFBULZOQ-NSHDSACASA-N 1 2 297.380 1.055 20 30 CDEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)o1 ZINC000271071731 366965680 /nfs/dbraw/zinc/96/56/80/366965680.db2.gz LWPHNIJFBULZOQ-NSHDSACASA-N 1 2 297.380 1.055 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc2c(c1)oc(=O)n2C ZINC000507562013 367012176 /nfs/dbraw/zinc/01/21/76/367012176.db2.gz DOKBJXRAEKAQHU-SNVBAGLBSA-N 1 2 259.309 1.723 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc2c(c1)oc(=O)n2C ZINC000507562013 367012182 /nfs/dbraw/zinc/01/21/82/367012182.db2.gz DOKBJXRAEKAQHU-SNVBAGLBSA-N 1 2 259.309 1.723 20 30 CDEDLO CC(C)(C)[N@H+](CC(N)=O)CC(=O)Nc1sccc1C#N ZINC000131158420 367255751 /nfs/dbraw/zinc/25/57/51/367255751.db2.gz OCUMNLDVOIYONG-UHFFFAOYSA-N 1 2 294.380 1.144 20 30 CDEDLO CC(C)(C)[N@@H+](CC(N)=O)CC(=O)Nc1sccc1C#N ZINC000131158420 367255759 /nfs/dbraw/zinc/25/57/59/367255759.db2.gz OCUMNLDVOIYONG-UHFFFAOYSA-N 1 2 294.380 1.144 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2C)CC1 ZINC000282583829 367949903 /nfs/dbraw/zinc/94/99/03/367949903.db2.gz WRGIEAKLABJAID-LBPRGKRZSA-N 1 2 261.373 1.084 20 30 CDEDLO C#CC[NH+]1CCN(CN2C[C@H](CC(C)C)CC2=O)CC1 ZINC000072915347 369148665 /nfs/dbraw/zinc/14/86/65/369148665.db2.gz SOTVEQIYMTVFGL-OAHLLOKOSA-N 1 2 277.412 1.089 20 30 CDEDLO CCC[C@@H]1C[N@H+](CC(=O)N(CC)CCC#N)CCO1 ZINC000131967917 369165250 /nfs/dbraw/zinc/16/52/50/369165250.db2.gz DZCOMOFDOMGSHH-CYBMUJFWSA-N 1 2 267.373 1.249 20 30 CDEDLO CCC[C@@H]1C[N@@H+](CC(=O)N(CC)CCC#N)CCO1 ZINC000131967917 369165253 /nfs/dbraw/zinc/16/52/53/369165253.db2.gz DZCOMOFDOMGSHH-CYBMUJFWSA-N 1 2 267.373 1.249 20 30 CDEDLO COCc1cccc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000565051688 370339863 /nfs/dbraw/zinc/33/98/63/370339863.db2.gz PWGYJIWJDQDJNL-MRXNPFEDSA-N 1 2 289.379 1.336 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000050049474 372233877 /nfs/dbraw/zinc/23/38/77/372233877.db2.gz UXPJZSHSBWWBDC-AWEZNQCLSA-N 1 2 274.320 1.574 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000050049474 372233883 /nfs/dbraw/zinc/23/38/83/372233883.db2.gz UXPJZSHSBWWBDC-AWEZNQCLSA-N 1 2 274.320 1.574 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1nnc2ccccn21 ZINC000172616053 372407493 /nfs/dbraw/zinc/40/74/93/372407493.db2.gz WKDHQMOIAUEYKN-MNOVXSKESA-N 1 2 273.340 1.071 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1OC ZINC000120789902 372781051 /nfs/dbraw/zinc/78/10/51/372781051.db2.gz OYQTXZVHYSCWPO-AWEZNQCLSA-N 1 2 287.363 1.667 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1OC ZINC000120789902 372781062 /nfs/dbraw/zinc/78/10/62/372781062.db2.gz OYQTXZVHYSCWPO-AWEZNQCLSA-N 1 2 287.363 1.667 20 30 CDEDLO CC[N@H+](CCn1c(C)csc1=O)C[C@H](C)C#N ZINC000063559110 373298289 /nfs/dbraw/zinc/29/82/89/373298289.db2.gz LJNDFANMMCIVHD-SNVBAGLBSA-N 1 2 253.371 1.700 20 30 CDEDLO CC[N@@H+](CCn1c(C)csc1=O)C[C@H](C)C#N ZINC000063559110 373298297 /nfs/dbraw/zinc/29/82/97/373298297.db2.gz LJNDFANMMCIVHD-SNVBAGLBSA-N 1 2 253.371 1.700 20 30 CDEDLO N#Cc1ccc(F)c(CN2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000358467763 373958680 /nfs/dbraw/zinc/95/86/80/373958680.db2.gz LYMCHKIZCLVKGX-UHFFFAOYSA-N 1 2 299.353 1.738 20 30 CDEDLO C[C@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)c1cccc(C#N)c1 ZINC000360149797 374003449 /nfs/dbraw/zinc/00/34/49/374003449.db2.gz JSFWLKIGDYBLCC-WFASDCNBSA-N 1 2 287.363 1.109 20 30 CDEDLO C[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)c1cccc(C#N)c1 ZINC000360149797 374003453 /nfs/dbraw/zinc/00/34/53/374003453.db2.gz JSFWLKIGDYBLCC-WFASDCNBSA-N 1 2 287.363 1.109 20 30 CDEDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361832240 374054411 /nfs/dbraw/zinc/05/44/11/374054411.db2.gz ZSUODPNCMBDHAD-MFKMUULPSA-N 1 2 264.300 1.279 20 30 CDEDLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361832240 374054421 /nfs/dbraw/zinc/05/44/21/374054421.db2.gz ZSUODPNCMBDHAD-MFKMUULPSA-N 1 2 264.300 1.279 20 30 CDEDLO Cc1nc(C(=O)NCCCCn2cc[nH+]c2)ccc1C#N ZINC000516268296 374176672 /nfs/dbraw/zinc/17/66/72/374176672.db2.gz SOIGLXBHBUZBLN-UHFFFAOYSA-N 1 2 283.335 1.668 20 30 CDEDLO N#Cc1ccccc1C[NH+]1CCN(Cc2ccon2)CC1 ZINC000075857353 374203251 /nfs/dbraw/zinc/20/32/51/374203251.db2.gz NUYSAALWDRIVHE-UHFFFAOYSA-N 1 2 282.347 1.864 20 30 CDEDLO C[N@H+](CCN1CCOCC1)Cc1cn2ccccc2c1C#N ZINC000112407218 374224079 /nfs/dbraw/zinc/22/40/79/374224079.db2.gz FYASOVMUOUTQRT-UHFFFAOYSA-N 1 2 298.390 1.575 20 30 CDEDLO C[N@@H+](CCN1CCOCC1)Cc1cn2ccccc2c1C#N ZINC000112407218 374224083 /nfs/dbraw/zinc/22/40/83/374224083.db2.gz FYASOVMUOUTQRT-UHFFFAOYSA-N 1 2 298.390 1.575 20 30 CDEDLO CN(CC[NH+]1CCOCC1)Cc1cn2ccccc2c1C#N ZINC000112407218 374224090 /nfs/dbraw/zinc/22/40/90/374224090.db2.gz FYASOVMUOUTQRT-UHFFFAOYSA-N 1 2 298.390 1.575 20 30 CDEDLO N#Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)ccc1F ZINC000352738775 374354822 /nfs/dbraw/zinc/35/48/22/374354822.db2.gz NZPILEGSSOLOQU-UHFFFAOYSA-N 1 2 258.256 1.393 20 30 CDEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1cccc(C#N)c1F ZINC000352859449 374362166 /nfs/dbraw/zinc/36/21/66/374362166.db2.gz RYQMXQRYRLGSLR-GHMZBOCLSA-N 1 2 298.383 1.951 20 30 CDEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000352859449 374362169 /nfs/dbraw/zinc/36/21/69/374362169.db2.gz RYQMXQRYRLGSLR-GHMZBOCLSA-N 1 2 298.383 1.951 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)o1 ZINC000352988423 374497788 /nfs/dbraw/zinc/49/77/88/374497788.db2.gz PWOVTYCAUHNYJN-CYBMUJFWSA-N 1 2 282.303 1.333 20 30 CDEDLO CC[C@@H]1CC[C@H](C(=O)NCc2c[nH+]c(C)nc2N)O1 ZINC000328592059 374709666 /nfs/dbraw/zinc/70/96/66/374709666.db2.gz SYMRAOBBNUPAMG-GHMZBOCLSA-N 1 2 264.329 1.612 20 30 CDEDLO C[C@H]1C[N@H+](CCOc2cccc(C#N)c2)CC[S@](=O)C1 ZINC000277435562 374788353 /nfs/dbraw/zinc/78/83/53/374788353.db2.gz KYDOOCOHTBOWDS-RBZFPXEDSA-N 1 2 292.404 1.637 20 30 CDEDLO C[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)CC[S@](=O)C1 ZINC000277435562 374788360 /nfs/dbraw/zinc/78/83/60/374788360.db2.gz KYDOOCOHTBOWDS-RBZFPXEDSA-N 1 2 292.404 1.637 20 30 CDEDLO COc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)ccc1C#N ZINC000330525064 374862625 /nfs/dbraw/zinc/86/26/25/374862625.db2.gz CALDKXHVTWYYCF-STQMWFEESA-N 1 2 264.300 1.472 20 30 CDEDLO COc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CO)ccc1C#N ZINC000330525064 374862628 /nfs/dbraw/zinc/86/26/28/374862628.db2.gz CALDKXHVTWYYCF-STQMWFEESA-N 1 2 264.300 1.472 20 30 CDEDLO N#Cc1ccnc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000332329719 375026954 /nfs/dbraw/zinc/02/69/54/375026954.db2.gz PAUWVFKYHIUTJP-LBPRGKRZSA-N 1 2 281.319 1.696 20 30 CDEDLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000282448367 375085897 /nfs/dbraw/zinc/08/58/97/375085897.db2.gz UYOUPPJESDRFPJ-JTQLQIEISA-N 1 2 262.309 1.560 20 30 CDEDLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000282448367 375085906 /nfs/dbraw/zinc/08/59/06/375085906.db2.gz UYOUPPJESDRFPJ-JTQLQIEISA-N 1 2 262.309 1.560 20 30 CDEDLO Cc1cc(N[C@@H](C)Cc2cnn(C)c2)c(C#N)c[nH+]1 ZINC000425266835 246744998 /nfs/dbraw/zinc/74/49/98/246744998.db2.gz JJTXUYUGWJHESL-NSHDSACASA-N 1 2 255.325 1.460 20 30 CDEDLO N#Cc1ccnc(NCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000132568865 375527995 /nfs/dbraw/zinc/52/79/95/375527995.db2.gz YVKKNFIQSKQSCN-UHFFFAOYSA-N 1 2 258.241 1.170 20 30 CDEDLO C=CCCn1cc(C(=O)Nc2c[nH+]c3n2CCCC3)nn1 ZINC000424853257 375966844 /nfs/dbraw/zinc/96/68/44/375966844.db2.gz PKNZWSVINDEMIF-UHFFFAOYSA-N 1 2 286.339 1.639 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)CNC(=O)CC2CCCC2)C1 ZINC000328737595 375939919 /nfs/dbraw/zinc/93/99/19/375939919.db2.gz LUUKJEOXDFWUSL-CYBMUJFWSA-N 1 2 297.399 1.810 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)CNC(=O)CC2CCCC2)C1 ZINC000328737595 375939924 /nfs/dbraw/zinc/93/99/24/375939924.db2.gz LUUKJEOXDFWUSL-CYBMUJFWSA-N 1 2 297.399 1.810 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)CCn1ccnn1)CCC2 ZINC000328768258 375951830 /nfs/dbraw/zinc/95/18/30/375951830.db2.gz FXZUQQHWVZPYJN-LBPRGKRZSA-N 1 2 288.355 1.707 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000527109073 376014069 /nfs/dbraw/zinc/01/40/69/376014069.db2.gz WOVDTOCQPKSBMB-AWEZNQCLSA-N 1 2 263.341 1.495 20 30 CDEDLO C=CC[NH+](CC=C)CC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000051767121 376315663 /nfs/dbraw/zinc/31/56/63/376315663.db2.gz JFBIHGRXQBVDGA-CQSZACIVSA-N 1 2 293.411 1.178 20 30 CDEDLO C=CC[NH+](CC=C)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000072590388 377143054 /nfs/dbraw/zinc/14/30/54/377143054.db2.gz CDKHBUWPILURMR-UHFFFAOYSA-N 1 2 285.347 1.646 20 30 CDEDLO Cn1cc(Br)c(C[NH2+][C@H]2CC[C@@H](C#N)C2)n1 ZINC000334678757 377165283 /nfs/dbraw/zinc/16/52/83/377165283.db2.gz OIGQSGJVQCUDBW-BDAKNGLRSA-N 1 2 283.173 1.964 20 30 CDEDLO C#CC[N@@H+](CC(=O)NC)Cc1cccc(C(F)(F)F)c1 ZINC000265368669 190177483 /nfs/dbraw/zinc/17/74/83/190177483.db2.gz ZXJVRPJXCNOSFH-UHFFFAOYSA-N 1 2 284.281 1.887 20 30 CDEDLO C#CC[N@H+](CC(=O)NC)Cc1cccc(C(F)(F)F)c1 ZINC000265368669 190177484 /nfs/dbraw/zinc/17/74/84/190177484.db2.gz ZXJVRPJXCNOSFH-UHFFFAOYSA-N 1 2 284.281 1.887 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000252443287 377680049 /nfs/dbraw/zinc/68/00/49/377680049.db2.gz RCMUAXBANZZUNS-ZIAGYGMSSA-N 1 2 266.385 1.686 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000252443287 377680059 /nfs/dbraw/zinc/68/00/59/377680059.db2.gz RCMUAXBANZZUNS-ZIAGYGMSSA-N 1 2 266.385 1.686 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000280572106 377966160 /nfs/dbraw/zinc/96/61/60/377966160.db2.gz LRVKICMTVQHTTE-NSHDSACASA-N 1 2 269.370 1.843 20 30 CDEDLO CC#CC[C@H](CO)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000645404835 378152526 /nfs/dbraw/zinc/15/25/26/378152526.db2.gz PHNVTIVNVDWYSI-GFCCVEGCSA-N 1 2 260.341 1.485 20 30 CDEDLO CC#CC[C@H](CO)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000645404835 378152529 /nfs/dbraw/zinc/15/25/29/378152529.db2.gz PHNVTIVNVDWYSI-GFCCVEGCSA-N 1 2 260.341 1.485 20 30 CDEDLO C#CC[N@@H+](C)[C@H]1CCN(c2ccccc2OC)C1=O ZINC000192223050 378179144 /nfs/dbraw/zinc/17/91/44/378179144.db2.gz MQGBJBJXTVQZTH-ZDUSSCGKSA-N 1 2 258.321 1.366 20 30 CDEDLO C#CC[N@H+](C)[C@H]1CCN(c2ccccc2OC)C1=O ZINC000192223050 378179149 /nfs/dbraw/zinc/17/91/49/378179149.db2.gz MQGBJBJXTVQZTH-ZDUSSCGKSA-N 1 2 258.321 1.366 20 30 CDEDLO C=C[C@@H](CO)[NH2+]Cc1cn(-c2ccccc2C)nn1 ZINC000289967677 378358035 /nfs/dbraw/zinc/35/80/35/378358035.db2.gz VWLLTUUUBAHWDM-LBPRGKRZSA-N 1 2 258.325 1.212 20 30 CDEDLO CC#CC[N@H+](C)CCN(Cc1ccccc1)S(C)(=O)=O ZINC000293272271 378551013 /nfs/dbraw/zinc/55/10/13/378551013.db2.gz VAMVBAXJQNRNMI-UHFFFAOYSA-N 1 2 294.420 1.403 20 30 CDEDLO CC#CC[N@@H+](C)CCN(Cc1ccccc1)S(C)(=O)=O ZINC000293272271 378551015 /nfs/dbraw/zinc/55/10/15/378551015.db2.gz VAMVBAXJQNRNMI-UHFFFAOYSA-N 1 2 294.420 1.403 20 30 CDEDLO N#CCNC(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000066496780 378677693 /nfs/dbraw/zinc/67/76/93/378677693.db2.gz KOCYJHLCPSRCNN-UHFFFAOYSA-N 1 2 292.770 1.102 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000296703306 378744931 /nfs/dbraw/zinc/74/49/31/378744931.db2.gz MPIUPSHNOCBBMJ-RYUDHWBXSA-N 1 2 250.346 1.659 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000296703306 378744933 /nfs/dbraw/zinc/74/49/33/378744933.db2.gz MPIUPSHNOCBBMJ-RYUDHWBXSA-N 1 2 250.346 1.659 20 30 CDEDLO C=CCn1cccc1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000334542350 378960853 /nfs/dbraw/zinc/96/08/53/378960853.db2.gz GVSYRZOGRNLHRY-CABCVRRESA-N 1 2 289.379 1.219 20 30 CDEDLO C=CCn1cccc1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000334542350 378960855 /nfs/dbraw/zinc/96/08/55/378960855.db2.gz GVSYRZOGRNLHRY-CABCVRRESA-N 1 2 289.379 1.219 20 30 CDEDLO C=C[C@](C)(O)CC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000278642653 194081146 /nfs/dbraw/zinc/08/11/46/194081146.db2.gz NZPGCUVJNDIXTB-ZDUSSCGKSA-N 1 2 281.381 1.397 20 30 CDEDLO C=C[C@](C)(O)CC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000278642653 194081150 /nfs/dbraw/zinc/08/11/50/194081150.db2.gz NZPGCUVJNDIXTB-ZDUSSCGKSA-N 1 2 281.381 1.397 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnn(CC(C)C)c2)C1=O ZINC000281109819 195107740 /nfs/dbraw/zinc/10/77/40/195107740.db2.gz BETUXNVDBKLZPE-HNNXBMFYSA-N 1 2 290.411 1.758 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnn(CC(C)C)c2)C1=O ZINC000281109819 195107741 /nfs/dbraw/zinc/10/77/41/195107741.db2.gz BETUXNVDBKLZPE-HNNXBMFYSA-N 1 2 290.411 1.758 20 30 CDEDLO N#CC1(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CCC1 ZINC000335493868 262083800 /nfs/dbraw/zinc/08/38/00/262083800.db2.gz ZBBHSLQWTXHWIA-NSHDSACASA-N 1 2 258.325 1.256 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cn3c(cccc3C)n2)C1=O ZINC000281419059 195233433 /nfs/dbraw/zinc/23/34/33/195233433.db2.gz RRRVIDHRKSOUFW-OAHLLOKOSA-N 1 2 298.390 1.861 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cn3c(cccc3C)n2)C1=O ZINC000281419059 195233434 /nfs/dbraw/zinc/23/34/34/195233434.db2.gz RRRVIDHRKSOUFW-OAHLLOKOSA-N 1 2 298.390 1.861 20 30 CDEDLO C[N@H+](CCOc1cccc(C#N)c1)Cc1nnc2n1CCC2 ZINC000531016721 390452712 /nfs/dbraw/zinc/45/27/12/390452712.db2.gz LEJOIGSYGTYNBJ-UHFFFAOYSA-N 1 2 297.362 1.607 20 30 CDEDLO C[N@@H+](CCOc1cccc(C#N)c1)Cc1nnc2n1CCC2 ZINC000531016721 390452716 /nfs/dbraw/zinc/45/27/16/390452716.db2.gz LEJOIGSYGTYNBJ-UHFFFAOYSA-N 1 2 297.362 1.607 20 30 CDEDLO CC(C)[N@H+](CC(=O)Nc1ccc(C#N)cc1)C1COC1 ZINC000451119946 390598742 /nfs/dbraw/zinc/59/87/42/390598742.db2.gz IJALOPQCVAZATA-UHFFFAOYSA-N 1 2 273.336 1.606 20 30 CDEDLO CC(C)[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C1COC1 ZINC000451119946 390598745 /nfs/dbraw/zinc/59/87/45/390598745.db2.gz IJALOPQCVAZATA-UHFFFAOYSA-N 1 2 273.336 1.606 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000293020986 391022218 /nfs/dbraw/zinc/02/22/18/391022218.db2.gz FLZGUMBWCVQBPQ-UHFFFAOYSA-N 1 2 261.281 1.488 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000293020986 391022222 /nfs/dbraw/zinc/02/22/22/391022222.db2.gz FLZGUMBWCVQBPQ-UHFFFAOYSA-N 1 2 261.281 1.488 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2oc(CCC)nc2C)CC1 ZINC000293390613 391032059 /nfs/dbraw/zinc/03/20/59/391032059.db2.gz KOIBBYKXUAMDCM-UHFFFAOYSA-N 1 2 289.379 1.717 20 30 CDEDLO [O-]C(NCC1(C(F)F)CC1)=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329542391 391010422 /nfs/dbraw/zinc/01/04/22/391010422.db2.gz DWLOJHYRFAMCOE-MRVPVSSYSA-N 1 2 284.310 1.816 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000414050720 391105802 /nfs/dbraw/zinc/10/58/02/391105802.db2.gz KPYAFWIKKSWRGQ-CQSZACIVSA-N 1 2 298.427 1.537 20 30 CDEDLO C=C(C)C[N@@H+](C)CC(=O)N[C@@H](Cc1ccccc1)C(C)=O ZINC000351068943 391033953 /nfs/dbraw/zinc/03/39/53/391033953.db2.gz ZCJMZDCZCQLYND-INIZCTEOSA-N 1 2 288.391 1.811 20 30 CDEDLO C=C(C)C[N@H+](C)CC(=O)N[C@@H](Cc1ccccc1)C(C)=O ZINC000351068943 391033955 /nfs/dbraw/zinc/03/39/55/391033955.db2.gz ZCJMZDCZCQLYND-INIZCTEOSA-N 1 2 288.391 1.811 20 30 CDEDLO C=C(C)CN(C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000373122057 391106895 /nfs/dbraw/zinc/10/68/95/391106895.db2.gz KEBBVDPHFRARHN-UHFFFAOYSA-N 1 2 276.384 1.979 20 30 CDEDLO CC(C)(C#N)c1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000329639913 391057215 /nfs/dbraw/zinc/05/72/15/391057215.db2.gz ZGSWKABTEAJYTL-IINYFYTJSA-N 1 2 276.340 1.797 20 30 CDEDLO CC(C)(C#N)c1nc([C@@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000329639913 391057218 /nfs/dbraw/zinc/05/72/18/391057218.db2.gz ZGSWKABTEAJYTL-IINYFYTJSA-N 1 2 276.340 1.797 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352462334 391148469 /nfs/dbraw/zinc/14/84/69/391148469.db2.gz CPKUHNOLAMHZTM-CYBMUJFWSA-N 1 2 279.359 1.903 20 30 CDEDLO C=C[C@H]1CCCCN1c1cc(N2CCOCC2)[nH+]cn1 ZINC000362837141 391134923 /nfs/dbraw/zinc/13/49/23/391134923.db2.gz AJYCYJVHRXXTEV-ZDUSSCGKSA-N 1 2 274.368 1.858 20 30 CDEDLO C=C[C@H]1CCCCN1c1cc(N2CCOCC2)nc[nH+]1 ZINC000362837141 391134926 /nfs/dbraw/zinc/13/49/26/391134926.db2.gz AJYCYJVHRXXTEV-ZDUSSCGKSA-N 1 2 274.368 1.858 20 30 CDEDLO C#C[C@@H](NC(=O)N[C@H](C)c1[nH+]ccn1CC)C(C)C ZINC000491464459 391138169 /nfs/dbraw/zinc/13/81/69/391138169.db2.gz RCLXUNVNNARMMG-VXGBXAGGSA-N 1 2 262.357 1.921 20 30 CDEDLO C#CC[N@H+](Cc1ccc(C#C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000491696471 391217700 /nfs/dbraw/zinc/21/77/00/391217700.db2.gz FGHURLUGGUMIPO-MRXNPFEDSA-N 1 2 287.384 1.290 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(C#C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000491696471 391217703 /nfs/dbraw/zinc/21/77/03/391217703.db2.gz FGHURLUGGUMIPO-MRXNPFEDSA-N 1 2 287.384 1.290 20 30 CDEDLO C[C@@H](C(=O)N(C)C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376596193 391242802 /nfs/dbraw/zinc/24/28/02/391242802.db2.gz TYZAIAAGTFJHTQ-ZDUSSCGKSA-N 1 2 286.379 1.415 20 30 CDEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1nccs1 ZINC000269445094 391248970 /nfs/dbraw/zinc/24/89/70/391248970.db2.gz AIWFPLGSTWHMID-VIFPVBQESA-N 1 2 257.359 1.993 20 30 CDEDLO N#C[C@H]1N(CCn2cc[nH+]c2)CCC[C@@]12CCCCO2 ZINC000375918961 391206897 /nfs/dbraw/zinc/20/68/97/391206897.db2.gz YDKYURAGZSWKKL-CABCVRRESA-N 1 2 274.368 1.810 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC1(C#N)CCC1 ZINC000416398581 391293803 /nfs/dbraw/zinc/29/38/03/391293803.db2.gz MXDGKGAOUUEAJQ-NSHDSACASA-N 1 2 261.329 1.265 20 30 CDEDLO C=CC[C@@H](C)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366469407 391324160 /nfs/dbraw/zinc/32/41/60/391324160.db2.gz GSSHOWVILNOUIR-YPMHNXCESA-N 1 2 267.373 1.113 20 30 CDEDLO C=CC[C@@H](C)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366469407 391324161 /nfs/dbraw/zinc/32/41/61/391324161.db2.gz GSSHOWVILNOUIR-YPMHNXCESA-N 1 2 267.373 1.113 20 30 CDEDLO C=C[C@@H](C)NC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000416685145 391326864 /nfs/dbraw/zinc/32/68/64/391326864.db2.gz AQWFHOLKHJOJDE-GFCCVEGCSA-N 1 2 284.363 1.942 20 30 CDEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)NCC1(O)CCCC1 ZINC000328611002 391342877 /nfs/dbraw/zinc/34/28/77/391342877.db2.gz OEFOEQGHIAWGGY-GFCCVEGCSA-N 1 2 292.383 1.569 20 30 CDEDLO CC[N@@H+](CC(=O)NCc1cccnc1)C[C@@H](C)C#N ZINC000346348509 391346826 /nfs/dbraw/zinc/34/68/26/391346826.db2.gz OCJMTFWALQKRDF-LBPRGKRZSA-N 1 2 260.341 1.179 20 30 CDEDLO CC[N@H+](CC(=O)NCc1cccnc1)C[C@@H](C)C#N ZINC000346348509 391346832 /nfs/dbraw/zinc/34/68/32/391346832.db2.gz OCJMTFWALQKRDF-LBPRGKRZSA-N 1 2 260.341 1.179 20 30 CDEDLO CCOC(=O)[C@H]([NH2+]CCCC#N)C1CCOCC1 ZINC000348769973 391454595 /nfs/dbraw/zinc/45/45/95/391454595.db2.gz DVXNCHQPHHYACM-GFCCVEGCSA-N 1 2 254.330 1.238 20 30 CDEDLO C=CCC[C@H](O)C[NH2+][C@@H](C(=O)OCC)C1CCOCC1 ZINC000348780522 391455768 /nfs/dbraw/zinc/45/57/68/391455768.db2.gz ZUVXZZBWUCQUAJ-UONOGXRCSA-N 1 2 285.384 1.261 20 30 CDEDLO COC(=O)C[C@@H]1COCC[N@@H+]1CCC(C)(C)C#N ZINC000347473199 533649541 /nfs/dbraw/zinc/64/95/41/533649541.db2.gz YOKLPHZPPSNMRM-LLVKDONJSA-N 1 2 254.330 1.190 20 30 CDEDLO COC(=O)C[C@@H]1COCC[N@H+]1CCC(C)(C)C#N ZINC000347473199 533649546 /nfs/dbraw/zinc/64/95/46/533649546.db2.gz YOKLPHZPPSNMRM-LLVKDONJSA-N 1 2 254.330 1.190 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1cnn(C)c1 ZINC000330405255 391416632 /nfs/dbraw/zinc/41/66/32/391416632.db2.gz NBYSEHQHAJEYNR-DOMZBBRYSA-N 1 2 291.399 1.295 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1cnn(C)c1 ZINC000330405255 391416634 /nfs/dbraw/zinc/41/66/34/391416634.db2.gz NBYSEHQHAJEYNR-DOMZBBRYSA-N 1 2 291.399 1.295 20 30 CDEDLO C[C@@H]([NH2+][C@H](C)c1ccon1)C(=O)N(C)CCC#N ZINC000349247034 391539568 /nfs/dbraw/zinc/53/95/68/391539568.db2.gz UIGLUADPDWFICE-NXEZZACHSA-N 1 2 250.302 1.086 20 30 CDEDLO C=CCN(CCC#N)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000359391972 391592661 /nfs/dbraw/zinc/59/26/61/391592661.db2.gz OYVAKVLXTQWVLG-LBPRGKRZSA-N 1 2 258.325 1.374 20 30 CDEDLO Cc1cc[nH+]cc1CCCN1CCN(C2CC2)[C@H](C#N)C1 ZINC000367356740 391615059 /nfs/dbraw/zinc/61/50/59/391615059.db2.gz PQIMJXJPNXWOPW-QGZVFWFLSA-N 1 2 284.407 1.995 20 30 CDEDLO CNC(=O)CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341801428 130039068 /nfs/dbraw/zinc/03/90/68/130039068.db2.gz VZPNNSUEGRPOLQ-CQSZACIVSA-N 1 2 273.336 1.068 20 30 CDEDLO CNC(=O)CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341801428 130039071 /nfs/dbraw/zinc/03/90/71/130039071.db2.gz VZPNNSUEGRPOLQ-CQSZACIVSA-N 1 2 273.336 1.068 20 30 CDEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCCc2n[nH]cc21 ZINC000330288239 391816104 /nfs/dbraw/zinc/81/61/04/391816104.db2.gz BNWJMKXVBNWSGR-MNOVXSKESA-N 1 2 285.351 1.998 20 30 CDEDLO C#CC[NH+](CC#C)C[C@H]1CN(c2ccccc2)CCO1 ZINC000491380912 391855441 /nfs/dbraw/zinc/85/54/41/391855441.db2.gz BOADBJXBRZDSBP-KRWDZBQOSA-N 1 2 268.360 1.460 20 30 CDEDLO COCCc1noc(C[N@H+](C)Cc2cccc(C#N)c2)n1 ZINC000171617928 391955271 /nfs/dbraw/zinc/95/52/71/391955271.db2.gz YKSWIRVAPAELNP-UHFFFAOYSA-N 1 2 286.335 1.762 20 30 CDEDLO COCCc1noc(C[N@@H+](C)Cc2cccc(C#N)c2)n1 ZINC000171617928 391955276 /nfs/dbraw/zinc/95/52/76/391955276.db2.gz YKSWIRVAPAELNP-UHFFFAOYSA-N 1 2 286.335 1.762 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c(F)c1 ZINC000054986273 392725114 /nfs/dbraw/zinc/72/51/14/392725114.db2.gz CESXPOWSWUMNPX-OAHLLOKOSA-N 1 2 287.338 1.940 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)c(F)c1 ZINC000054986273 392725120 /nfs/dbraw/zinc/72/51/20/392725120.db2.gz CESXPOWSWUMNPX-OAHLLOKOSA-N 1 2 287.338 1.940 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000412089607 392819629 /nfs/dbraw/zinc/81/96/29/392819629.db2.gz BRSMSIDWTGPHPU-TZMCWYRMSA-N 1 2 280.755 1.387 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000412089607 392819634 /nfs/dbraw/zinc/81/96/34/392819634.db2.gz BRSMSIDWTGPHPU-TZMCWYRMSA-N 1 2 280.755 1.387 20 30 CDEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000533811728 393087033 /nfs/dbraw/zinc/08/70/33/393087033.db2.gz RYINOOCBYUSHNT-UHFFFAOYSA-N 1 2 285.376 1.732 20 30 CDEDLO CC(=O)N1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118390284 393105604 /nfs/dbraw/zinc/10/56/04/393105604.db2.gz IQPWUDCALQYHIN-GFCCVEGCSA-N 1 2 257.337 1.783 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000448677788 393123282 /nfs/dbraw/zinc/12/32/82/393123282.db2.gz OKHZWXBIPSTDFA-UHFFFAOYSA-N 1 2 283.335 1.586 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000249391259 393450869 /nfs/dbraw/zinc/45/08/69/393450869.db2.gz RQESHJHWUPUFEB-SMDDNHRTSA-N 1 2 274.320 1.493 20 30 CDEDLO COC(=O)[C@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000249391259 393450874 /nfs/dbraw/zinc/45/08/74/393450874.db2.gz RQESHJHWUPUFEB-SMDDNHRTSA-N 1 2 274.320 1.493 20 30 CDEDLO C=CCC1(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)CCCC1 ZINC000664082278 413068015 /nfs/dbraw/zinc/06/80/15/413068015.db2.gz BSQGSSSVANTZOH-AWEZNQCLSA-N 1 2 294.443 1.420 20 30 CDEDLO C=CCC1(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)CCCC1 ZINC000664082278 413068020 /nfs/dbraw/zinc/06/80/20/413068020.db2.gz BSQGSSSVANTZOH-AWEZNQCLSA-N 1 2 294.443 1.420 20 30 CDEDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1Cc1cc(C#N)cs1 ZINC000188914822 140104897 /nfs/dbraw/zinc/10/48/97/140104897.db2.gz FUFAUOVKSAIWMP-ZDUSSCGKSA-N 1 2 277.393 1.966 20 30 CDEDLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000188914822 140104899 /nfs/dbraw/zinc/10/48/99/140104899.db2.gz FUFAUOVKSAIWMP-ZDUSSCGKSA-N 1 2 277.393 1.966 20 30 CDEDLO Cn1c[nH+]cc1CN1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000246458073 397704052 /nfs/dbraw/zinc/70/40/52/397704052.db2.gz NESOQUSTOGDPMY-INIZCTEOSA-N 1 2 295.390 1.630 20 30 CDEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1sccc1C#N ZINC000335947293 151140516 /nfs/dbraw/zinc/14/05/16/151140516.db2.gz SAZYXERGWGDUHI-VHSXEESVSA-N 1 2 263.366 1.784 20 30 CDEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1sccc1C#N ZINC000335947293 151140519 /nfs/dbraw/zinc/14/05/19/151140519.db2.gz SAZYXERGWGDUHI-VHSXEESVSA-N 1 2 263.366 1.784 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000375573306 160393032 /nfs/dbraw/zinc/39/30/32/160393032.db2.gz VMQCNTDZJMFIEZ-HNNXBMFYSA-N 1 2 289.310 1.772 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000375573306 160393033 /nfs/dbraw/zinc/39/30/33/160393033.db2.gz VMQCNTDZJMFIEZ-HNNXBMFYSA-N 1 2 289.310 1.772 20 30 CDEDLO C=C(CC)CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000665063730 413828802 /nfs/dbraw/zinc/82/88/02/413828802.db2.gz QCDOKXCUQITTID-STQMWFEESA-N 1 2 269.389 1.361 20 30 CDEDLO C=C(CC)CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000665063730 413828811 /nfs/dbraw/zinc/82/88/11/413828811.db2.gz QCDOKXCUQITTID-STQMWFEESA-N 1 2 269.389 1.361 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000043784085 175105987 /nfs/dbraw/zinc/10/59/87/175105987.db2.gz KLNRYVHUVPVTET-LLVKDONJSA-N 1 2 275.308 1.165 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000043784085 175105988 /nfs/dbraw/zinc/10/59/88/175105988.db2.gz KLNRYVHUVPVTET-LLVKDONJSA-N 1 2 275.308 1.165 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)c1cccc(C#N)c1 ZINC000045136835 175314161 /nfs/dbraw/zinc/31/41/61/175314161.db2.gz IWUHEYNGDSZQJV-UHFFFAOYSA-N 1 2 254.293 1.264 20 30 CDEDLO O=C(C[N@@H+]1CCN2C(=O)CC[C@@H]2C1)NC1CCCCCC1 ZINC000329054634 227274525 /nfs/dbraw/zinc/27/45/25/227274525.db2.gz SEPNJAAPXIEQEF-CQSZACIVSA-N 1 2 293.411 1.972 20 30 CDEDLO O=C(C[N@H+]1CCN2C(=O)CC[C@@H]2C1)NC1CCCCCC1 ZINC000329054634 227274532 /nfs/dbraw/zinc/27/45/32/227274532.db2.gz SEPNJAAPXIEQEF-CQSZACIVSA-N 1 2 293.411 1.972 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)NC2CCC2)CCO1 ZINC000330330747 228154252 /nfs/dbraw/zinc/15/42/52/228154252.db2.gz NNRKKGIYXQYRFX-AAEUAGOBSA-N 1 2 278.356 1.696 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCC(=O)NCC(C)C)ccc1F ZINC000049066030 260203651 /nfs/dbraw/zinc/20/36/51/260203651.db2.gz GBZWATSIKACUFK-UHFFFAOYSA-N 1 2 281.331 1.543 20 30 CDEDLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000408080808 260218584 /nfs/dbraw/zinc/21/85/84/260218584.db2.gz CKOTXMIJIIVVQB-KGLIPLIRSA-N 1 2 293.411 1.828 20 30 CDEDLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000408080808 260218585 /nfs/dbraw/zinc/21/85/85/260218585.db2.gz CKOTXMIJIIVVQB-KGLIPLIRSA-N 1 2 293.411 1.828 20 30 CDEDLO Cc1cc(N2CCN(C(=O)CC#N)CC2)nc(C(C)C)[nH+]1 ZINC000153514837 261079358 /nfs/dbraw/zinc/07/93/58/261079358.db2.gz MCNNTSTZVLYUAJ-UHFFFAOYSA-N 1 2 287.367 1.471 20 30 CDEDLO C#CC[N@@H+]([C@H](C)Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 ZINC000490949462 261262245 /nfs/dbraw/zinc/26/22/45/261262245.db2.gz KLPPXKDSBUHMLM-TZMCWYRMSA-N 1 2 297.445 1.801 20 30 CDEDLO C#CC[N@H+]([C@H](C)Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 ZINC000490949462 261262248 /nfs/dbraw/zinc/26/22/48/261262248.db2.gz KLPPXKDSBUHMLM-TZMCWYRMSA-N 1 2 297.445 1.801 20 30 CDEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000189039763 262166114 /nfs/dbraw/zinc/16/61/14/262166114.db2.gz XFTMFPSKNJAOFC-BXUZGUMPSA-N 1 2 260.341 1.931 20 30 CDEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000189039763 262166117 /nfs/dbraw/zinc/16/61/17/262166117.db2.gz XFTMFPSKNJAOFC-BXUZGUMPSA-N 1 2 260.341 1.931 20 30 CDEDLO CCc1cccc(CO[NH+]=C(N)C(C)(C)NC(C)=O)c1 ZINC000189287833 262170304 /nfs/dbraw/zinc/17/03/04/262170304.db2.gz ZXZAEEJEVLSOFC-UHFFFAOYSA-N 1 2 277.368 1.953 20 30 CDEDLO C[C@@H]1C[C@H](NC(=O)Nc2cccc(C#N)n2)c2[nH+]ccn21 ZINC000516649672 262339922 /nfs/dbraw/zinc/33/99/22/262339922.db2.gz YLPRKIYBEVXLRL-KOLCDFICSA-N 1 2 282.307 1.977 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000336799931 262396748 /nfs/dbraw/zinc/39/67/48/262396748.db2.gz KLOQNXAAIUOJMV-UWVGGRQHSA-N 1 2 277.290 1.631 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000336799931 262396750 /nfs/dbraw/zinc/39/67/50/262396750.db2.gz KLOQNXAAIUOJMV-UWVGGRQHSA-N 1 2 277.290 1.631 20 30 CDEDLO C#CCN(CC#N)Cc1[nH+]ccn1Cc1ccccc1 ZINC000281215838 263067165 /nfs/dbraw/zinc/06/71/65/263067165.db2.gz AZWRCZUIVWDCQY-UHFFFAOYSA-N 1 2 264.332 1.890 20 30 CDEDLO N#CC1CCC(CNc2[nH+]cnc(-n3cccn3)c2N)CC1 ZINC000281740303 263071578 /nfs/dbraw/zinc/07/15/78/263071578.db2.gz WYFHXWRGGNJTSO-UHFFFAOYSA-N 1 2 297.366 1.986 20 30 CDEDLO C[C@H](O[NH+]=C(N)CCO)c1noc(-c2ccccc2)n1 ZINC000284080446 263085779 /nfs/dbraw/zinc/08/57/79/263085779.db2.gz KKJLIVVIWJZZAG-VIFPVBQESA-N 1 2 276.296 1.469 20 30 CDEDLO CN(CC#N)CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000285482823 263093236 /nfs/dbraw/zinc/09/32/36/263093236.db2.gz OSOZGRIKBOXLPS-UHFFFAOYSA-N 1 2 272.396 1.260 20 30 CDEDLO CO/N=C/C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000290193868 263115200 /nfs/dbraw/zinc/11/52/00/263115200.db2.gz OYUNJKSPYGCQCG-GZTJUZNOSA-N 1 2 290.367 1.558 20 30 CDEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000340364242 263119278 /nfs/dbraw/zinc/11/92/78/263119278.db2.gz AXHCZJSLWGSTBX-CYBMUJFWSA-N 1 2 266.385 1.568 20 30 CDEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000340364242 263119279 /nfs/dbraw/zinc/11/92/79/263119279.db2.gz AXHCZJSLWGSTBX-CYBMUJFWSA-N 1 2 266.385 1.568 20 30 CDEDLO C=CC[N@@H+](CCC#N)C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000292098669 263128404 /nfs/dbraw/zinc/12/84/04/263128404.db2.gz GDLKJYJCXAJEHG-OAHLLOKOSA-N 1 2 297.399 1.664 20 30 CDEDLO C=CC[N@H+](CCC#N)C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000292098669 263128405 /nfs/dbraw/zinc/12/84/05/263128405.db2.gz GDLKJYJCXAJEHG-OAHLLOKOSA-N 1 2 297.399 1.664 20 30 CDEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(C(=O)c3ccccn3)CC2)C1 ZINC000292772509 263134754 /nfs/dbraw/zinc/13/47/54/263134754.db2.gz JUHZZDKBTCKGKN-UONOGXRCSA-N 1 2 284.363 1.532 20 30 CDEDLO N#CCC[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000299552561 263246931 /nfs/dbraw/zinc/24/69/31/263246931.db2.gz GDRZXPCOBPDWQV-AWEZNQCLSA-N 1 2 257.337 1.853 20 30 CDEDLO CC#CCN(C)C(=O)[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000341073653 263323945 /nfs/dbraw/zinc/32/39/45/263323945.db2.gz SBNGHHDJOXFSMH-KBPBESRZSA-N 1 2 271.364 1.636 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2ncc(C)cn2)CC1 ZINC000341994357 263372730 /nfs/dbraw/zinc/37/27/30/263372730.db2.gz SMGXQWZBVJLLKI-UHFFFAOYSA-N 1 2 260.341 1.537 20 30 CDEDLO C[C@H](CNC(=O)[C@@H]1CCC(=O)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000328954010 263897724 /nfs/dbraw/zinc/89/77/24/263897724.db2.gz OHYSUHVYYPLMTF-HZSPNIEDSA-N 1 2 296.411 1.917 20 30 CDEDLO C=C[C@H](C)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000330407485 263930985 /nfs/dbraw/zinc/93/09/85/263930985.db2.gz GUGPOUPPPILNCD-NWDGAFQWSA-N 1 2 260.341 1.738 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000330984404 264103158 /nfs/dbraw/zinc/10/31/58/264103158.db2.gz KLJUPEQCHKLGGA-AWEZNQCLSA-N 1 2 291.399 1.025 20 30 CDEDLO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc(F)c(O)c(F)c1 ZINC000331251127 264181112 /nfs/dbraw/zinc/18/11/12/264181112.db2.gz ZOFROQCZONOSET-JTQLQIEISA-N 1 2 299.321 1.221 20 30 CDEDLO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cc(F)c(O)c(F)c1 ZINC000331251127 264181113 /nfs/dbraw/zinc/18/11/13/264181113.db2.gz ZOFROQCZONOSET-JTQLQIEISA-N 1 2 299.321 1.221 20 30 CDEDLO Cc1cc[nH]c1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000331309277 264186347 /nfs/dbraw/zinc/18/63/47/264186347.db2.gz BNQMKTIRWASUST-UHFFFAOYSA-N 1 2 265.357 1.739 20 30 CDEDLO C[C@@H](CC#N)N(C)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000343271364 264299244 /nfs/dbraw/zinc/29/92/44/264299244.db2.gz QNBGELQXWQCSBL-JTQLQIEISA-N 1 2 273.327 1.724 20 30 CDEDLO C[C@@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)[C@H](C)[NH+]1CCOCC1 ZINC000425444515 264324173 /nfs/dbraw/zinc/32/41/73/264324173.db2.gz BQCBJHQMLBCDGB-ZOBORPQBSA-N 1 2 294.399 1.087 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)c1 ZINC000190096520 264391084 /nfs/dbraw/zinc/39/10/84/264391084.db2.gz IJUYEBNHVAUBNZ-ZDUSSCGKSA-N 1 2 274.364 1.914 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)c1 ZINC000190096520 264391081 /nfs/dbraw/zinc/39/10/81/264391081.db2.gz IJUYEBNHVAUBNZ-ZDUSSCGKSA-N 1 2 274.364 1.914 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCSC[C@H]2CCO)nn1 ZINC000653569588 424294924 /nfs/dbraw/zinc/29/49/24/424294924.db2.gz YPHVTVTVLPCORB-CYBMUJFWSA-N 1 2 282.413 1.154 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCSC[C@H]2CCO)nn1 ZINC000653569588 424294932 /nfs/dbraw/zinc/29/49/32/424294932.db2.gz YPHVTVTVLPCORB-CYBMUJFWSA-N 1 2 282.413 1.154 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000357793822 266362514 /nfs/dbraw/zinc/36/25/14/266362514.db2.gz IVTQYSWKNGQMAA-DGCLKSJQSA-N 1 2 292.383 1.355 20 30 CDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C1(C#N)CCC1 ZINC000367425923 267090204 /nfs/dbraw/zinc/09/02/04/267090204.db2.gz JQRSXTIJCUNURQ-QWHCGFSZSA-N 1 2 277.368 1.002 20 30 CDEDLO C=CCOc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000123392782 268041322 /nfs/dbraw/zinc/04/13/22/268041322.db2.gz FKTCFFDSYCJJJX-LBPRGKRZSA-N 1 2 260.337 1.572 20 30 CDEDLO C=CCOc1ccc(C[N@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000123392782 268041324 /nfs/dbraw/zinc/04/13/24/268041324.db2.gz FKTCFFDSYCJJJX-LBPRGKRZSA-N 1 2 260.337 1.572 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000334090599 276920035 /nfs/dbraw/zinc/92/00/35/276920035.db2.gz NYLMFRNWQONEQB-AGIUHOORSA-N 1 2 290.367 1.990 20 30 CDEDLO CC(C)(C#N)CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000366914052 277120227 /nfs/dbraw/zinc/12/02/27/277120227.db2.gz VESJWCKUIBZOND-ZDUSSCGKSA-N 1 2 279.384 1.249 20 30 CDEDLO CC(C)(C)[C@H](C#N)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000335774324 277247086 /nfs/dbraw/zinc/24/70/86/277247086.db2.gz BXWFNBYKOPDNAS-QWRGUYRKSA-N 1 2 260.341 1.500 20 30 CDEDLO CC(C)C[C@H]1COCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000347076488 279220041 /nfs/dbraw/zinc/22/00/41/279220041.db2.gz NNQPSQGPGOVDFO-ZDUSSCGKSA-N 1 2 279.384 1.296 20 30 CDEDLO CC(C)C[C@H]1COCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000347076488 279220042 /nfs/dbraw/zinc/22/00/42/279220042.db2.gz NNQPSQGPGOVDFO-ZDUSSCGKSA-N 1 2 279.384 1.296 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000336152471 279272284 /nfs/dbraw/zinc/27/22/84/279272284.db2.gz XDMBLPYXDNKXSX-SNVBAGLBSA-N 1 2 270.292 1.401 20 30 CDEDLO CCN1CC[N@@H+]([C@H](C)c2cccc(C#N)c2)CC1=O ZINC000336170141 279370502 /nfs/dbraw/zinc/37/05/02/279370502.db2.gz OMGNWAMNVFOYNO-GFCCVEGCSA-N 1 2 257.337 1.783 20 30 CDEDLO CCN1CC[N@H+]([C@H](C)c2cccc(C#N)c2)CC1=O ZINC000336170141 279370504 /nfs/dbraw/zinc/37/05/04/279370504.db2.gz OMGNWAMNVFOYNO-GFCCVEGCSA-N 1 2 257.337 1.783 20 30 CDEDLO N#Cc1cccc(/C=C/C(=O)NCCCn2cc[nH+]c2)c1 ZINC000122826512 279425474 /nfs/dbraw/zinc/42/54/74/279425474.db2.gz QEAZDBQKARALRX-AATRIKPKSA-N 1 2 280.331 1.974 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000336600734 279511927 /nfs/dbraw/zinc/51/19/27/279511927.db2.gz VXELFAVQHQPEFF-UHFFFAOYSA-N 1 2 252.277 1.411 20 30 CDEDLO CC[C@@H](NC(=O)c1ncc(C#N)cc1C)c1[nH]cc[nH+]1 ZINC000551960925 290032873 /nfs/dbraw/zinc/03/28/73/290032873.db2.gz BXHVDAQAZTUIBD-LLVKDONJSA-N 1 2 269.308 1.866 20 30 CDEDLO Cn1c[nH+]cc1CN(CCC#N)Cc1ccccn1 ZINC000177156433 327788037 /nfs/dbraw/zinc/78/80/37/327788037.db2.gz JVZSXDYJRWJJMZ-UHFFFAOYSA-N 1 2 255.325 1.731 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N(C)C[C@@H](C)C#N)CCC2 ZINC000337601719 327956880 /nfs/dbraw/zinc/95/68/80/327956880.db2.gz OHHNOEUAGMYUGY-WCQYABFASA-N 1 2 289.383 1.870 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CC12CCCCC2 ZINC000571450753 328122827 /nfs/dbraw/zinc/12/28/27/328122827.db2.gz UYJYTSHFAYKFFD-TZMCWYRMSA-N 1 2 263.385 1.917 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000265919380 328167205 /nfs/dbraw/zinc/16/72/05/328167205.db2.gz UGIDAKKGURMYLY-HUUCEWRRSA-N 1 2 287.363 1.306 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000265919380 328167206 /nfs/dbraw/zinc/16/72/06/328167206.db2.gz UGIDAKKGURMYLY-HUUCEWRRSA-N 1 2 287.363 1.306 20 30 CDEDLO NC(=[NH+]OCCCOc1ccccc1)[C@@H]1CCCO1 ZINC000284458181 328246137 /nfs/dbraw/zinc/24/61/37/328246137.db2.gz QMCSWQBRPIVOQJ-ZDUSSCGKSA-N 1 2 264.325 1.923 20 30 CDEDLO N#Cc1cccc(CCNc2nc(N)c3ccccc3[nH+]2)c1 ZINC000578512331 323953043 /nfs/dbraw/zinc/95/30/43/323953043.db2.gz JVFWAEITRGSADL-UHFFFAOYSA-N 1 2 289.342 1.991 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)nc1 ZINC000578707563 324000472 /nfs/dbraw/zinc/00/04/72/324000472.db2.gz VPGHPTZUWNOORW-ZIAGYGMSSA-N 1 2 270.336 1.196 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)nc1 ZINC000578707563 324000473 /nfs/dbraw/zinc/00/04/73/324000473.db2.gz VPGHPTZUWNOORW-ZIAGYGMSSA-N 1 2 270.336 1.196 20 30 CDEDLO CCc1nc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)co1 ZINC000331055748 328476783 /nfs/dbraw/zinc/47/67/83/328476783.db2.gz KQUPNZYQGOWJIN-GHMZBOCLSA-N 1 2 281.356 1.651 20 30 CDEDLO N#Cc1cnn2cc(C[NH2+][C@H]3CCCc4cn[nH]c43)cnc12 ZINC000583994724 325281982 /nfs/dbraw/zinc/28/19/82/325281982.db2.gz MFOXDDIJEZWAKJ-ZDUSSCGKSA-N 1 2 293.334 1.491 20 30 CDEDLO CCN1CCN(C[C@H](C#N)CCC#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000348406260 328579189 /nfs/dbraw/zinc/57/91/89/328579189.db2.gz PAXWVWBKWPZKLF-UONOGXRCSA-N 1 2 286.383 1.532 20 30 CDEDLO Cc1noc(C)c1CCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000568344494 326993456 /nfs/dbraw/zinc/99/34/56/326993456.db2.gz JNYQVICGUPDKNZ-CQSZACIVSA-N 1 2 278.356 1.184 20 30 CDEDLO N#CCC[C@H](C#N)C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000120399567 328956980 /nfs/dbraw/zinc/95/69/80/328956980.db2.gz XVKPRSPNWCDETJ-CQSZACIVSA-N 1 2 288.395 1.907 20 30 CDEDLO CC[C@H](CC#N)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000183948302 329255018 /nfs/dbraw/zinc/25/50/18/329255018.db2.gz HHETZBPSTQXMPN-LLVKDONJSA-N 1 2 256.309 1.685 20 30 CDEDLO Cn1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(C(C)(C)C)n1 ZINC000574992825 330125034 /nfs/dbraw/zinc/12/50/34/330125034.db2.gz ZDNDOBYIMWYJEU-OAHLLOKOSA-N 1 2 291.399 1.291 20 30 CDEDLO C[C@@H]1C[C@]1(C#N)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000450211495 330966053 /nfs/dbraw/zinc/96/60/53/330966053.db2.gz PYYRJOLHAQSFDJ-LALPHHSUSA-N 1 2 270.336 1.326 20 30 CDEDLO C=CCC[C@@H](CO)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000450900662 331005974 /nfs/dbraw/zinc/00/59/74/331005974.db2.gz UZEDCXXMQAMSSV-LBPRGKRZSA-N 1 2 262.357 1.816 20 30 CDEDLO C=CCC[C@@H](CO)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000450900662 331005975 /nfs/dbraw/zinc/00/59/75/331005975.db2.gz UZEDCXXMQAMSSV-LBPRGKRZSA-N 1 2 262.357 1.816 20 30 CDEDLO COC(=O)[C@H]1C[N@H+](CCC#N)C[C@H]1c1ccccc1 ZINC000451995600 331049716 /nfs/dbraw/zinc/04/97/16/331049716.db2.gz OGSKMUGZMYFPEK-KBPBESRZSA-N 1 2 258.321 1.789 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+](CCC#N)C[C@H]1c1ccccc1 ZINC000451995600 331049717 /nfs/dbraw/zinc/04/97/17/331049717.db2.gz OGSKMUGZMYFPEK-KBPBESRZSA-N 1 2 258.321 1.789 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cnc(OC)nc2C)n1 ZINC000490800868 332116681 /nfs/dbraw/zinc/11/66/81/332116681.db2.gz XCZJUKDLUBJLBV-UHFFFAOYSA-N 1 2 299.378 1.645 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2cnc(OC)nc2C)n1 ZINC000490800868 332116683 /nfs/dbraw/zinc/11/66/83/332116683.db2.gz XCZJUKDLUBJLBV-UHFFFAOYSA-N 1 2 299.378 1.645 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1cnnn1C)c1ccc(Cl)cc1 ZINC000491228526 332169621 /nfs/dbraw/zinc/16/96/21/332169621.db2.gz AFDJETGLDYZFQA-CYBMUJFWSA-N 1 2 260.728 1.933 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C[C@@](C)(CC(C)C)C1=O ZINC000491363022 332197652 /nfs/dbraw/zinc/19/76/52/332197652.db2.gz WWYSKZWTUPIBAZ-SWLSCSKDSA-N 1 2 264.369 1.709 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C[C@@](C)(CC(C)C)C1=O ZINC000491363022 332197653 /nfs/dbraw/zinc/19/76/53/332197653.db2.gz WWYSKZWTUPIBAZ-SWLSCSKDSA-N 1 2 264.369 1.709 20 30 CDEDLO C#CC[N@H+](C)CCCN=c1nc(C(C)(C)C)o[nH]1 ZINC000491382700 332201377 /nfs/dbraw/zinc/20/13/77/332201377.db2.gz JKZONULZNJEPCJ-UHFFFAOYSA-N 1 2 250.346 1.156 20 30 CDEDLO C#CC[N@@H+](C)CCCN=c1nc(C(C)(C)C)o[nH]1 ZINC000491382700 332201379 /nfs/dbraw/zinc/20/13/79/332201379.db2.gz JKZONULZNJEPCJ-UHFFFAOYSA-N 1 2 250.346 1.156 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(CC(F)(F)F)C(C)C ZINC000491486998 332221401 /nfs/dbraw/zinc/22/14/01/332221401.db2.gz ZTXBABDYJIJJBO-UHFFFAOYSA-N 1 2 250.264 1.351 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N(CC(F)(F)F)C(C)C ZINC000491486998 332221402 /nfs/dbraw/zinc/22/14/02/332221402.db2.gz ZTXBABDYJIJJBO-UHFFFAOYSA-N 1 2 250.264 1.351 20 30 CDEDLO COC(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000491488962 332221532 /nfs/dbraw/zinc/22/15/32/332221532.db2.gz RYFOBYNLGJHMOH-UHFFFAOYSA-N 1 2 289.335 1.473 20 30 CDEDLO C#CC[NH+]1CCN(c2nc(C3CCCC3)ns2)CC1 ZINC000491651527 332264836 /nfs/dbraw/zinc/26/48/36/332264836.db2.gz HMMGADJELHCQHH-UHFFFAOYSA-N 1 2 276.409 1.951 20 30 CDEDLO C#CC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)C1CC1 ZINC000491667412 332275688 /nfs/dbraw/zinc/27/56/88/332275688.db2.gz LFHIEWKVIBMSMW-UHFFFAOYSA-N 1 2 268.316 1.942 20 30 CDEDLO C#CC[N@H+](Cc1cccc(C(=O)OC)c1C#N)C1CC1 ZINC000491667412 332275690 /nfs/dbraw/zinc/27/56/90/332275690.db2.gz LFHIEWKVIBMSMW-UHFFFAOYSA-N 1 2 268.316 1.942 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000491779277 332344250 /nfs/dbraw/zinc/34/42/50/332344250.db2.gz ZMJSVBLFLFFSMU-OCCSQVGLSA-N 1 2 271.364 1.902 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000491779277 332344251 /nfs/dbraw/zinc/34/42/51/332344251.db2.gz ZMJSVBLFLFFSMU-OCCSQVGLSA-N 1 2 271.364 1.902 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000491783709 332347191 /nfs/dbraw/zinc/34/71/91/332347191.db2.gz RNWYOGNYIRIWCJ-GFCCVEGCSA-N 1 2 253.305 1.966 20 30 CDEDLO O=C(C=Cc1c[nH]c[nH+]1)NCC#Cc1cccc(F)c1 ZINC000492759006 332412294 /nfs/dbraw/zinc/41/22/94/332412294.db2.gz BOVHSDGFKIBEBQ-VOTSOKGWSA-N 1 2 269.279 1.730 20 30 CDEDLO NC(=[NH+]OC[C@H]1CNC(=O)O1)c1ccc(Cl)cc1 ZINC000495581225 332523745 /nfs/dbraw/zinc/52/37/45/332523745.db2.gz AAKDTWFTANHEAB-SECBINFHSA-N 1 2 269.688 1.085 20 30 CDEDLO CC(C)COC(=O)N1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000495720627 332528139 /nfs/dbraw/zinc/52/81/39/332528139.db2.gz NMMWKNURVXHWJH-CYBMUJFWSA-N 1 2 283.372 1.325 20 30 CDEDLO CC(=O)NCCC[N@H+](CCC#N)Cc1ccccn1 ZINC000178387513 333071918 /nfs/dbraw/zinc/07/19/18/333071918.db2.gz PGKRFJNUFNRQRD-UHFFFAOYSA-N 1 2 260.341 1.323 20 30 CDEDLO CC(=O)NCCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000178387513 333071920 /nfs/dbraw/zinc/07/19/20/333071920.db2.gz PGKRFJNUFNRQRD-UHFFFAOYSA-N 1 2 260.341 1.323 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000192228257 333232948 /nfs/dbraw/zinc/23/29/48/333232948.db2.gz ZYDDTRJHPSBQHY-UHFFFAOYSA-N 1 2 260.337 1.644 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000192228257 333232950 /nfs/dbraw/zinc/23/29/50/333232950.db2.gz ZYDDTRJHPSBQHY-UHFFFAOYSA-N 1 2 260.337 1.644 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000192227179 333233045 /nfs/dbraw/zinc/23/30/45/333233045.db2.gz ZLSRILOWMIUVEX-CYBMUJFWSA-N 1 2 256.349 1.919 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000192227179 333233046 /nfs/dbraw/zinc/23/30/46/333233046.db2.gz ZLSRILOWMIUVEX-CYBMUJFWSA-N 1 2 256.349 1.919 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000192233555 333233290 /nfs/dbraw/zinc/23/32/90/333233290.db2.gz SVTQZSNRSFPODW-KGLIPLIRSA-N 1 2 266.385 1.263 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000192233555 333233291 /nfs/dbraw/zinc/23/32/91/333233291.db2.gz SVTQZSNRSFPODW-KGLIPLIRSA-N 1 2 266.385 1.263 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000522984128 333303343 /nfs/dbraw/zinc/30/33/43/333303343.db2.gz CNRKYSUSOSYMHP-DGCLKSJQSA-N 1 2 268.320 1.785 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000246497184 334260172 /nfs/dbraw/zinc/26/01/72/334260172.db2.gz AZQBOCPSCLZIFF-IUCAKERBSA-N 1 2 263.263 1.384 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000246497184 334260173 /nfs/dbraw/zinc/26/01/73/334260173.db2.gz AZQBOCPSCLZIFF-IUCAKERBSA-N 1 2 263.263 1.384 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)c1 ZINC000249377036 334332790 /nfs/dbraw/zinc/33/27/90/334332790.db2.gz PVKVYBVHXYEYFV-BBRMVZONSA-N 1 2 277.364 1.833 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)c1 ZINC000249377036 334332792 /nfs/dbraw/zinc/33/27/92/334332792.db2.gz PVKVYBVHXYEYFV-BBRMVZONSA-N 1 2 277.364 1.833 20 30 CDEDLO Cc1nscc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000555480771 334479675 /nfs/dbraw/zinc/47/96/75/334479675.db2.gz UHMSOOWESYSYEJ-NSHDSACASA-N 1 2 252.343 1.025 20 30 CDEDLO N#CCc1ccccc1NC(=O)CCn1cc[nH+]c1 ZINC000576499821 335211883 /nfs/dbraw/zinc/21/18/83/335211883.db2.gz KURUGWGJBNIQHS-UHFFFAOYSA-N 1 2 254.293 1.978 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000577293964 335336614 /nfs/dbraw/zinc/33/66/14/335336614.db2.gz LAKRJYAFMYCYPH-BZPMIXESSA-N 1 2 277.368 1.686 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000577293964 335336616 /nfs/dbraw/zinc/33/66/16/335336616.db2.gz LAKRJYAFMYCYPH-BZPMIXESSA-N 1 2 277.368 1.686 20 30 CDEDLO COCCN(CC#N)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000581710598 336134319 /nfs/dbraw/zinc/13/43/19/336134319.db2.gz JWKUVKYAXHAOPA-UHFFFAOYSA-N 1 2 286.335 1.184 20 30 CDEDLO C=CCOCCNc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000665710796 482563103 /nfs/dbraw/zinc/56/31/03/482563103.db2.gz VXBQWAQRCCXCLM-STQMWFEESA-N 1 2 292.383 1.298 20 30 CDEDLO C=CCOCCNc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000665710796 482563107 /nfs/dbraw/zinc/56/31/07/482563107.db2.gz VXBQWAQRCCXCLM-STQMWFEESA-N 1 2 292.383 1.298 20 30 CDEDLO COCC#CC[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000680991205 482647358 /nfs/dbraw/zinc/64/73/58/482647358.db2.gz XFISEMRVEQCMRV-ZDUSSCGKSA-N 1 2 279.409 1.472 20 30 CDEDLO COCC#CC[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000677477120 482679677 /nfs/dbraw/zinc/67/96/77/482679677.db2.gz QYKKLAPYYJPQQP-UHFFFAOYSA-N 1 2 280.755 1.860 20 30 CDEDLO COCC#CC[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000677477120 482679683 /nfs/dbraw/zinc/67/96/83/482679683.db2.gz QYKKLAPYYJPQQP-UHFFFAOYSA-N 1 2 280.755 1.860 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C3CCCCC3)CC2)C1 ZINC001078083256 1161431315 /nfs/dbraw/zinc/43/13/15/1161431315.db2.gz PDEZWLNJOXWKST-HUUCEWRRSA-N 1 2 290.407 1.141 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C3CCCCC3)CC2)C1 ZINC001078083256 1161431319 /nfs/dbraw/zinc/43/13/19/1161431319.db2.gz PDEZWLNJOXWKST-HUUCEWRRSA-N 1 2 290.407 1.141 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](OC)[C@H](C)CC)CC1 ZINC001113043770 1162083335 /nfs/dbraw/zinc/08/33/35/1162083335.db2.gz CWBWUFZOXSBUIG-ZIAGYGMSSA-N 1 2 268.401 1.768 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)C2(CCF)CC2)CC1 ZINC001113146544 1162114973 /nfs/dbraw/zinc/11/49/73/1162114973.db2.gz GNXONJGWFKGQCL-UHFFFAOYSA-N 1 2 284.375 1.473 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000541125324 518196707 /nfs/dbraw/zinc/19/67/07/518196707.db2.gz XNZGGBKQFBDZOZ-UHFFFAOYSA-N 1 2 288.332 1.000 20 30 CDEDLO C=CCCCC(=O)N1CC[NH+]([C@H]2CCCN(C)C2=O)CC1 ZINC001113282077 1162144408 /nfs/dbraw/zinc/14/44/08/1162144408.db2.gz IWRKXJKOQUSMEG-AWEZNQCLSA-N 1 2 293.411 1.108 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](C)c2ccco2)CC1 ZINC001113339179 1162158136 /nfs/dbraw/zinc/15/81/36/1162158136.db2.gz PSDQKSWKCXHCIP-CQSZACIVSA-N 1 2 292.379 1.730 20 30 CDEDLO CC[C@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)CCO1 ZINC000340822358 523271114 /nfs/dbraw/zinc/27/11/14/523271114.db2.gz SUKOENMWWCWMDJ-HNNXBMFYSA-N 1 2 287.363 1.285 20 30 CDEDLO CC[C@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)CCO1 ZINC000340822358 523271125 /nfs/dbraw/zinc/27/11/25/523271125.db2.gz SUKOENMWWCWMDJ-HNNXBMFYSA-N 1 2 287.363 1.285 20 30 CDEDLO Cc1ncc(C[NH+]2CCN(C(=O)[C@@H](C)C#N)CC2)s1 ZINC000347093650 534735208 /nfs/dbraw/zinc/73/52/08/534735208.db2.gz BAFYUEFUIXXBLW-JTQLQIEISA-N 1 2 278.381 1.255 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)nn1C ZINC000336853553 524696328 /nfs/dbraw/zinc/69/63/28/524696328.db2.gz BGFQNVCKJIVZKB-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](O)C2)cc1Cl ZINC000061708578 526651218 /nfs/dbraw/zinc/65/12/18/526651218.db2.gz QSUOTKLZYGXVPL-NSHDSACASA-N 1 2 279.727 1.217 20 30 CDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](O)C2)cc1Cl ZINC000061708578 526651219 /nfs/dbraw/zinc/65/12/19/526651219.db2.gz QSUOTKLZYGXVPL-NSHDSACASA-N 1 2 279.727 1.217 20 30 CDEDLO C=CCOCC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000354603728 526708860 /nfs/dbraw/zinc/70/88/60/526708860.db2.gz RTRIJMPVSXKYHO-UHFFFAOYSA-N 1 2 289.379 1.891 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000333098772 526799623 /nfs/dbraw/zinc/79/96/23/526799623.db2.gz UUZMLZCFXOVBHV-IPYPFGDCSA-N 1 2 289.379 1.543 20 30 CDEDLO CC[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccn1 ZINC000347061323 527903554 /nfs/dbraw/zinc/90/35/54/527903554.db2.gz UIBCRNMUJBNQQM-UHFFFAOYSA-N 1 2 272.352 1.466 20 30 CDEDLO CC[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccn1 ZINC000347061323 527903558 /nfs/dbraw/zinc/90/35/58/527903558.db2.gz UIBCRNMUJBNQQM-UHFFFAOYSA-N 1 2 272.352 1.466 20 30 CDEDLO CC1CCC(NC(=O)C[N@H+](C)[C@@H]2COC[C@H]2O)CC1 ZINC000329093541 528165265 /nfs/dbraw/zinc/16/52/65/528165265.db2.gz XJIIVLBHYBSSDV-FIYWTHMPSA-N 1 2 270.373 1.213 20 30 CDEDLO CC1CCC(NC(=O)C[N@@H+](C)[C@@H]2COC[C@H]2O)CC1 ZINC000329093541 528165275 /nfs/dbraw/zinc/16/52/75/528165275.db2.gz XJIIVLBHYBSSDV-FIYWTHMPSA-N 1 2 270.373 1.213 20 30 CDEDLO O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@H]1CC12CCCC2 ZINC000328832771 538441659 /nfs/dbraw/zinc/44/16/59/538441659.db2.gz VSHHJCJIRDVLDF-QWHCGFSZSA-N 1 2 282.384 1.216 20 30 CDEDLO Cc1cnn(CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000328941073 538443424 /nfs/dbraw/zinc/44/34/24/538443424.db2.gz HVRNXQQUYAEUQV-LBPRGKRZSA-N 1 2 273.340 1.607 20 30 CDEDLO CC(C)(CNC(=O)NC[C@@]1(C)CCOC1)[NH+]1CCOCC1 ZINC000329376524 538562675 /nfs/dbraw/zinc/56/26/75/538562675.db2.gz LLDIKLYGUAKMNM-OAHLLOKOSA-N 1 2 299.415 1.027 20 30 CDEDLO CO[C@@H]1CCCCC1N=NC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000753934214 574982744 /nfs/dbraw/zinc/98/27/44/574982744.db2.gz HNHYLURSOKCTSO-NTZNESFSSA-N 1 2 264.373 1.791 20 30 CDEDLO N#CC1CC[NH+]([C@@H]2CC(=O)N(c3cccc(O)c3)C2=O)CC1 ZINC000731357995 575045465 /nfs/dbraw/zinc/04/54/65/575045465.db2.gz YNCLYFNYDRMTQS-CQSZACIVSA-N 1 2 299.330 1.260 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000732057826 575077714 /nfs/dbraw/zinc/07/77/14/575077714.db2.gz LBVHGVQCURDRBX-HNNXBMFYSA-N 1 2 295.346 1.303 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000732057826 575077715 /nfs/dbraw/zinc/07/77/15/575077715.db2.gz LBVHGVQCURDRBX-HNNXBMFYSA-N 1 2 295.346 1.303 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CCc2nc(C)cs2)CC1 ZINC000767923344 576239262 /nfs/dbraw/zinc/23/92/62/576239262.db2.gz ZUKSRIXQHLKZDG-UHFFFAOYSA-N 1 2 277.393 1.162 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774906286 575250670 /nfs/dbraw/zinc/25/06/70/575250670.db2.gz WYOKXQXQFIHKKK-UHFFFAOYSA-N 1 2 288.303 1.768 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774906286 575250673 /nfs/dbraw/zinc/25/06/73/575250673.db2.gz WYOKXQXQFIHKKK-UHFFFAOYSA-N 1 2 288.303 1.768 20 30 CDEDLO C=CC[C@H](NC(=O)NCc1[nH+]ccn1C)c1ccncc1 ZINC000734667623 575369518 /nfs/dbraw/zinc/36/95/18/575369518.db2.gz JSCFCVCJNOWKMO-ZDUSSCGKSA-N 1 2 285.351 1.932 20 30 CDEDLO CC1N=NC(=S)N1N=Cc1cccc2[nH+]ccn21 ZINC000771087024 575547244 /nfs/dbraw/zinc/54/72/44/575547244.db2.gz DAPBTPIBOGGKGU-UHFFFAOYSA-N 1 2 258.310 1.405 20 30 CDEDLO C#C[C@H](NC(=O)Cn1c(C)[nH+]c2ccccc21)[C@H]1CCCO1 ZINC000772881519 575762691 /nfs/dbraw/zinc/76/26/91/575762691.db2.gz MCMXBNMZOJWKLQ-XJKSGUPXSA-N 1 2 297.358 1.642 20 30 CDEDLO C#C[C@H](C)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000772976680 575771719 /nfs/dbraw/zinc/77/17/19/575771719.db2.gz SMBGRMUERJLSDB-LBPRGKRZSA-N 1 2 253.305 1.683 20 30 CDEDLO C#CCC(C)(C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000767939265 576240432 /nfs/dbraw/zinc/24/04/32/576240432.db2.gz HIBOYCXIJQRPLK-UHFFFAOYSA-N 1 2 258.321 1.721 20 30 CDEDLO C=CCn1nnn(C[N@H+](C)CC2CCOCC2)c1=S ZINC000767982814 576246798 /nfs/dbraw/zinc/24/67/98/576246798.db2.gz MLHHZUDELITYBT-UHFFFAOYSA-N 1 2 283.401 1.311 20 30 CDEDLO C=CCn1nnn(C[N@@H+](C)CC2CCOCC2)c1=S ZINC000767982814 576246799 /nfs/dbraw/zinc/24/67/99/576246799.db2.gz MLHHZUDELITYBT-UHFFFAOYSA-N 1 2 283.401 1.311 20 30 CDEDLO CN(CCO)c1ccc(C=[NH+]Nc2cnn(C)c2)cc1 ZINC000761884684 576603378 /nfs/dbraw/zinc/60/33/78/576603378.db2.gz LEWDSFZMEPSHNI-UHFFFAOYSA-N 1 2 273.340 1.295 20 30 CDEDLO C#CCNC(=O)C[N@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000743872947 576659978 /nfs/dbraw/zinc/65/99/78/576659978.db2.gz GAMGZGNDPFXGIK-UKRRQHHQSA-N 1 2 272.348 1.198 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000743872947 576659979 /nfs/dbraw/zinc/65/99/79/576659979.db2.gz GAMGZGNDPFXGIK-UKRRQHHQSA-N 1 2 272.348 1.198 20 30 CDEDLO C[N@H+](Cc1nc2ccccc2c(=O)n1CC#N)[C@H]1CCOC1 ZINC000744398087 576678569 /nfs/dbraw/zinc/67/85/69/576678569.db2.gz IQJZDTWQKHTPCT-LBPRGKRZSA-N 1 2 298.346 1.141 20 30 CDEDLO C[N@@H+](Cc1nc2ccccc2c(=O)n1CC#N)[C@H]1CCOC1 ZINC000744398087 576678572 /nfs/dbraw/zinc/67/85/72/576678572.db2.gz IQJZDTWQKHTPCT-LBPRGKRZSA-N 1 2 298.346 1.141 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000744410844 576679234 /nfs/dbraw/zinc/67/92/34/576679234.db2.gz VMYOXBUJMQMUQH-CVEARBPZSA-N 1 2 274.408 1.982 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000744410844 576679236 /nfs/dbraw/zinc/67/92/36/576679236.db2.gz VMYOXBUJMQMUQH-CVEARBPZSA-N 1 2 274.408 1.982 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745081425 576713097 /nfs/dbraw/zinc/71/30/97/576713097.db2.gz YPIDOLQHDKSSOK-STQMWFEESA-N 1 2 295.383 1.022 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745081425 576713099 /nfs/dbraw/zinc/71/30/99/576713099.db2.gz YPIDOLQHDKSSOK-STQMWFEESA-N 1 2 295.383 1.022 20 30 CDEDLO CCOC(=O)C1([N@H+](C)CC(=O)NCCC#N)CCCCC1 ZINC000763652393 576745627 /nfs/dbraw/zinc/74/56/27/576745627.db2.gz QWORLPGWVBKFSA-UHFFFAOYSA-N 1 2 295.383 1.214 20 30 CDEDLO CCOC(=O)C1([N@@H+](C)CC(=O)NCCC#N)CCCCC1 ZINC000763652393 576745629 /nfs/dbraw/zinc/74/56/29/576745629.db2.gz QWORLPGWVBKFSA-UHFFFAOYSA-N 1 2 295.383 1.214 20 30 CDEDLO N#CC[N@H+](CC1CCC2(CC1)OCCO2)C1CC1 ZINC000753708662 576854845 /nfs/dbraw/zinc/85/48/45/576854845.db2.gz GPIXIPBZEBARDL-UHFFFAOYSA-N 1 2 250.342 1.908 20 30 CDEDLO N#CC[N@@H+](CC1CCC2(CC1)OCCO2)C1CC1 ZINC000753708662 576854847 /nfs/dbraw/zinc/85/48/47/576854847.db2.gz GPIXIPBZEBARDL-UHFFFAOYSA-N 1 2 250.342 1.908 20 30 CDEDLO C[C@@H]1CC(=NNc2cnnc(O)c2Cl)C[N@@H+]1C1CC1 ZINC000753955693 576869447 /nfs/dbraw/zinc/86/94/47/576869447.db2.gz PTULKHFXMMFIMG-SSDOTTSWSA-N 1 2 281.747 1.860 20 30 CDEDLO C[C@@H]1CC(=NNc2cnnc(O)c2Cl)C[N@H+]1C1CC1 ZINC000753955693 576869449 /nfs/dbraw/zinc/86/94/49/576869449.db2.gz PTULKHFXMMFIMG-SSDOTTSWSA-N 1 2 281.747 1.860 20 30 CDEDLO COc1ccnc(N=NCc2c[nH+]c3ccc(C)cn23)n1 ZINC000755639424 576953335 /nfs/dbraw/zinc/95/33/35/576953335.db2.gz GOQNSBIVOVRPSQ-UHFFFAOYSA-N 1 2 282.307 1.887 20 30 CDEDLO Cc1[nH+]c[nH]c1CN=Nc1ccc(-n2cccn2)nn1 ZINC000755657232 576953881 /nfs/dbraw/zinc/95/38/81/576953881.db2.gz NBGOSTUJDXMKQX-UHFFFAOYSA-N 1 2 268.284 1.140 20 30 CDEDLO Cn1c[nH+]cc1C=NNCc1ccc(F)c(F)c1 ZINC000755657937 576953884 /nfs/dbraw/zinc/95/38/84/576953884.db2.gz SNAWDLAMBAFEBK-UHFFFAOYSA-N 1 2 250.252 1.822 20 30 CDEDLO CC(C)CO[NH+]=Cc1cnc(N2CCOCC2)s1 ZINC000755802241 576961975 /nfs/dbraw/zinc/96/19/75/576961975.db2.gz RTWXOGBBEQWZQD-UHFFFAOYSA-N 1 2 269.370 1.986 20 30 CDEDLO CN(C)c1cc(COC(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC000755888896 576966212 /nfs/dbraw/zinc/96/62/12/576966212.db2.gz HWDOBOAXZJVCEY-UHFFFAOYSA-N 1 2 270.292 1.704 20 30 CDEDLO C=CCCC(CC)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000750919268 577015924 /nfs/dbraw/zinc/01/59/24/577015924.db2.gz ZCWDZYWMPDQYHL-UHFFFAOYSA-N 1 2 298.456 1.515 20 30 CDEDLO CCOc1ccc(O)c(/C=N\CC[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000750949066 577018543 /nfs/dbraw/zinc/01/85/43/577018543.db2.gz BXAZIMLCSFJGEB-MFVBVHDHSA-N 1 2 292.379 1.931 20 30 CDEDLO CCOc1ccc(O)c(/C=N\CC[N@H+]2CCO[C@@H](C)C2)c1 ZINC000750949066 577018544 /nfs/dbraw/zinc/01/85/44/577018544.db2.gz BXAZIMLCSFJGEB-MFVBVHDHSA-N 1 2 292.379 1.931 20 30 CDEDLO CCOc1cccc(/C=N/CC[N@@H+]2CCO[C@@H](C)C2)c1O ZINC000750950019 577018586 /nfs/dbraw/zinc/01/85/86/577018586.db2.gz MKBNHKXWAMUMFU-HNEYUBDGSA-N 1 2 292.379 1.931 20 30 CDEDLO CCOc1cccc(/C=N/CC[N@H+]2CCO[C@@H](C)C2)c1O ZINC000750950019 577018589 /nfs/dbraw/zinc/01/85/89/577018589.db2.gz MKBNHKXWAMUMFU-HNEYUBDGSA-N 1 2 292.379 1.931 20 30 CDEDLO Cn1nncc1C=NNc1cc[nH+]c2ccccc12 ZINC000751133780 577027486 /nfs/dbraw/zinc/02/74/86/577027486.db2.gz RQKHVMFHGHRSBY-UHFFFAOYSA-N 1 2 252.281 1.231 20 30 CDEDLO COCC#CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000757649900 577048384 /nfs/dbraw/zinc/04/83/84/577048384.db2.gz XXXMDLHBBJDBOU-UHFFFAOYSA-N 1 2 289.335 1.367 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CCC[C@@H]2COC)c1=S ZINC000751950113 577078157 /nfs/dbraw/zinc/07/81/57/577078157.db2.gz OUXVAJBBZQWFAM-SNVBAGLBSA-N 1 2 269.374 1.063 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CCC[C@@H]2COC)c1=S ZINC000751950113 577078159 /nfs/dbraw/zinc/07/81/59/577078159.db2.gz OUXVAJBBZQWFAM-SNVBAGLBSA-N 1 2 269.374 1.063 20 30 CDEDLO Cc1ccn(C[N@@H+](C)Cc2cccn2C)c(=O)c1C#N ZINC000758237796 577088450 /nfs/dbraw/zinc/08/84/50/577088450.db2.gz QJHYLQXZNGMBAU-UHFFFAOYSA-N 1 2 270.336 1.456 20 30 CDEDLO Cc1ccn(C[N@H+](C)Cc2cccn2C)c(=O)c1C#N ZINC000758237796 577088452 /nfs/dbraw/zinc/08/84/52/577088452.db2.gz QJHYLQXZNGMBAU-UHFFFAOYSA-N 1 2 270.336 1.456 20 30 CDEDLO C[C@H]1C[N@H+](C)CC1N=Nc1ccccc1S(C)(=O)=O ZINC000752165652 577091710 /nfs/dbraw/zinc/09/17/10/577091710.db2.gz LUQVFICMERFTQA-JTQLQIEISA-N 1 2 281.381 1.440 20 30 CDEDLO C[C@H]1C[N@@H+](C)CC1N=Nc1ccccc1S(C)(=O)=O ZINC000752165652 577091712 /nfs/dbraw/zinc/09/17/12/577091712.db2.gz LUQVFICMERFTQA-JTQLQIEISA-N 1 2 281.381 1.440 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c1=S ZINC000752809211 577128844 /nfs/dbraw/zinc/12/88/44/577128844.db2.gz FBYUZTBWPGLIMC-MNOVXSKESA-N 1 2 283.401 1.188 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c1=S ZINC000752809211 577128845 /nfs/dbraw/zinc/12/88/45/577128845.db2.gz FBYUZTBWPGLIMC-MNOVXSKESA-N 1 2 283.401 1.188 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(C)c(C)cn2)C1 ZINC000950957027 612991667 /nfs/dbraw/zinc/99/16/67/612991667.db2.gz RZNFKKBIQABMOE-UHFFFAOYSA-N 1 2 285.391 1.868 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2coc(C)c2)C1 ZINC000949961923 612992818 /nfs/dbraw/zinc/99/28/18/612992818.db2.gz CGDSSWVORBQFCN-UHFFFAOYSA-N 1 2 260.337 1.758 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC34CC4)CC2)C1 ZINC000949479894 613210475 /nfs/dbraw/zinc/21/04/75/613210475.db2.gz GEBVVPVPZTXCNA-AWEZNQCLSA-N 1 2 288.391 1.113 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC34CC4)CC2)C1 ZINC000949479894 613210477 /nfs/dbraw/zinc/21/04/77/613210477.db2.gz GEBVVPVPZTXCNA-AWEZNQCLSA-N 1 2 288.391 1.113 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC3(C)CC3)C2)C1 ZINC000972470623 613212376 /nfs/dbraw/zinc/21/23/76/613212376.db2.gz XELNDUWVVSDEMZ-MRXNPFEDSA-N 1 2 276.380 1.113 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CC3(C)CC3)C2)C1 ZINC000972470623 613212377 /nfs/dbraw/zinc/21/23/77/613212377.db2.gz XELNDUWVVSDEMZ-MRXNPFEDSA-N 1 2 276.380 1.113 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CO[C@H](C)C2)C1 ZINC000950667818 613295494 /nfs/dbraw/zinc/29/54/94/613295494.db2.gz RXSMFEQSCPNKFJ-CHWSQXEVSA-N 1 2 266.385 1.520 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(CC)on2)C1 ZINC000957294876 613296110 /nfs/dbraw/zinc/29/61/10/613296110.db2.gz VOFGOKLYARQHQE-UHFFFAOYSA-N 1 2 277.368 1.959 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc3ncn(C)c3n2)CC1 ZINC000950485536 613320754 /nfs/dbraw/zinc/32/07/54/613320754.db2.gz MNRAMKCVEMEUAV-UHFFFAOYSA-N 1 2 299.378 1.302 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cn3ccc(C)cc3n2)CC1 ZINC000949146544 613321380 /nfs/dbraw/zinc/32/13/80/613321380.db2.gz SYJZRSVBYFLKBX-UHFFFAOYSA-N 1 2 298.390 1.977 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ncccc2O)C1 ZINC000971395683 613369390 /nfs/dbraw/zinc/36/93/90/613369390.db2.gz XJRZYWHHNWTLOJ-LLVKDONJSA-N 1 2 295.770 1.686 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)c2ncccc2O)C1 ZINC000971395683 613369391 /nfs/dbraw/zinc/36/93/91/613369391.db2.gz XJRZYWHHNWTLOJ-LLVKDONJSA-N 1 2 295.770 1.686 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCOC2)C1 ZINC000969366573 613371606 /nfs/dbraw/zinc/37/16/06/613371606.db2.gz WBBTUHKAUAAZJG-MNOVXSKESA-N 1 2 272.776 1.212 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000969513180 613371829 /nfs/dbraw/zinc/37/18/29/613371829.db2.gz ALKKEBIZBXLYIT-SNVBAGLBSA-N 1 2 292.770 1.689 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ncc[nH]2)C1 ZINC000969638646 613371923 /nfs/dbraw/zinc/37/19/23/613371923.db2.gz UFTCCSJYDHKPQD-SECBINFHSA-N 1 2 268.748 1.212 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2=COCCO2)C1 ZINC000969232749 613371941 /nfs/dbraw/zinc/37/19/41/613371941.db2.gz DJPAMFDZRSZARW-JTQLQIEISA-N 1 2 286.759 1.064 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cncnc2)C1 ZINC000969538009 613372676 /nfs/dbraw/zinc/37/26/76/613372676.db2.gz BTEUJOWHYPMMFQ-JTQLQIEISA-N 1 2 280.759 1.279 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cc2cnoc2)CC1 ZINC000981807968 613373281 /nfs/dbraw/zinc/37/32/81/613373281.db2.gz KFNQPMGOQFVDKH-UHFFFAOYSA-N 1 2 283.759 1.504 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cc2cnoc2)CC1 ZINC000981807968 613373282 /nfs/dbraw/zinc/37/32/82/613373282.db2.gz KFNQPMGOQFVDKH-UHFFFAOYSA-N 1 2 283.759 1.504 20 30 CDEDLO C=C(Cl)CN1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000950962263 613374673 /nfs/dbraw/zinc/37/46/73/613374673.db2.gz LGIDPZXDHHKGOF-ZDUSSCGKSA-N 1 2 296.802 1.731 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC000965958818 613375750 /nfs/dbraw/zinc/37/57/50/613375750.db2.gz PDLUBIVWHUOQAO-MWLCHTKSSA-N 1 2 297.790 1.008 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC000965958818 613375751 /nfs/dbraw/zinc/37/57/51/613375751.db2.gz PDLUBIVWHUOQAO-MWLCHTKSSA-N 1 2 297.790 1.008 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@@H+]([C@@H](C)C(=O)NC)CC1 ZINC000981887771 613501899 /nfs/dbraw/zinc/50/18/99/613501899.db2.gz OTOICDYYLWXLJE-XJKSGUPXSA-N 1 2 295.427 1.258 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@H+]([C@@H](C)C(=O)NC)CC1 ZINC000981887771 613501900 /nfs/dbraw/zinc/50/19/00/613501900.db2.gz OTOICDYYLWXLJE-XJKSGUPXSA-N 1 2 295.427 1.258 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2cnccc2C)CC1 ZINC000948828755 613563780 /nfs/dbraw/zinc/56/37/80/613563780.db2.gz PMDRWUDOXOSUSO-UHFFFAOYSA-N 1 2 271.364 1.100 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccccn3)C2)C1 ZINC000972220008 613571052 /nfs/dbraw/zinc/57/10/52/613571052.db2.gz GRVOLHJHDNJNDI-KRWDZBQOSA-N 1 2 299.374 1.022 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccccn3)C2)C1 ZINC000972220008 613571057 /nfs/dbraw/zinc/57/10/57/613571057.db2.gz GRVOLHJHDNJNDI-KRWDZBQOSA-N 1 2 299.374 1.022 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CC23CC(OCC)C3)C1 ZINC000951745916 613654783 /nfs/dbraw/zinc/65/47/83/613654783.db2.gz OFMAMSIMCVXZOH-ISXOHVOVSA-N 1 2 292.423 1.910 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)COc2cccc(OC)c2)CC1 ZINC000950644805 613708441 /nfs/dbraw/zinc/70/84/41/613708441.db2.gz WGFUVMOTQQGNMD-UHFFFAOYSA-N 1 2 290.363 1.404 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC000950433522 613711033 /nfs/dbraw/zinc/71/10/33/613711033.db2.gz JISRDRSAHXABKY-GFCCVEGCSA-N 1 2 274.368 1.160 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](OC)C2)CC1 ZINC000948948104 613711061 /nfs/dbraw/zinc/71/10/61/613711061.db2.gz FPFGYCYYLUEMBR-OLZOCXBDSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H](OC)C2)CC1 ZINC000949935740 613711159 /nfs/dbraw/zinc/71/11/59/613711159.db2.gz WQMMGPYDDUWKBT-ZIAGYGMSSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccnc(-n3ccnc3)c2)CC1 ZINC000957691187 613717362 /nfs/dbraw/zinc/71/73/62/613717362.db2.gz FRBKPKDGYBDISA-UHFFFAOYSA-N 1 2 297.362 1.211 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccnn2[C@H](C)CC)CC1 ZINC000948583981 613717461 /nfs/dbraw/zinc/71/74/61/613717461.db2.gz ILEXGKVCIICVJQ-CYBMUJFWSA-N 1 2 276.384 1.798 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3C=CCC3)C2)C1 ZINC000972248331 613723858 /nfs/dbraw/zinc/72/38/58/613723858.db2.gz JKRKCAYRXPIHLD-RDJZCZTQSA-N 1 2 290.407 1.832 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3C=CCC3)C2)C1 ZINC000972248331 613723859 /nfs/dbraw/zinc/72/38/59/613723859.db2.gz JKRKCAYRXPIHLD-RDJZCZTQSA-N 1 2 290.407 1.832 20 30 CDEDLO C#C[C@@H](NC(=O)N[C@@H](CC)C[NH+]1CCOCC1)C(C)(C)C ZINC000925602640 617545545 /nfs/dbraw/zinc/54/55/45/617545545.db2.gz VNXCCAYQQRLKLI-UONOGXRCSA-N 1 2 295.427 1.444 20 30 CDEDLO C[N@H+](Cc1csc(C#N)c1)[C@H]1CCCCNC1=O ZINC000891855225 617665298 /nfs/dbraw/zinc/66/52/98/617665298.db2.gz SSEWXEGVNOFVDW-LBPRGKRZSA-N 1 2 263.366 1.720 20 30 CDEDLO C[N@@H+](Cc1csc(C#N)c1)[C@H]1CCCCNC1=O ZINC000891855225 617665302 /nfs/dbraw/zinc/66/53/02/617665302.db2.gz SSEWXEGVNOFVDW-LBPRGKRZSA-N 1 2 263.366 1.720 20 30 CDEDLO COC[C@H](C)NN=C1CCN(c2cccc[nH+]2)CC1 ZINC000777895001 618201430 /nfs/dbraw/zinc/20/14/30/618201430.db2.gz REGRYMSLOXYRQH-LBPRGKRZSA-N 1 2 262.357 1.662 20 30 CDEDLO COC(=O)[C@@H]1[C@@H](C[N@H+](CCC#N)C(C)C)C1(F)F ZINC000893958961 618224372 /nfs/dbraw/zinc/22/43/72/618224372.db2.gz GLYWEXANBBDPAD-ZJUUUORDSA-N 1 2 260.284 1.665 20 30 CDEDLO COC(=O)[C@@H]1[C@@H](C[N@@H+](CCC#N)C(C)C)C1(F)F ZINC000893958961 618224375 /nfs/dbraw/zinc/22/43/75/618224375.db2.gz GLYWEXANBBDPAD-ZJUUUORDSA-N 1 2 260.284 1.665 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)C(=O)OC ZINC000894191682 618684630 /nfs/dbraw/zinc/68/46/30/618684630.db2.gz CJCXEHIFVNETRF-CRWXNKLISA-N 1 2 267.369 1.899 20 30 CDEDLO C=CCCn1cc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)nn1 ZINC000896910053 620300019 /nfs/dbraw/zinc/30/00/19/620300019.db2.gz KTXGSQFMSOROTN-UHFFFAOYSA-N 1 2 274.328 1.124 20 30 CDEDLO C#Cc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000897735064 621109876 /nfs/dbraw/zinc/10/98/76/621109876.db2.gz LGCAVENIJFCBPV-WMLDXEAASA-N 1 2 298.386 1.603 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)C1 ZINC000898503094 621778726 /nfs/dbraw/zinc/77/87/26/621778726.db2.gz HJWZLNMITMDGSZ-GFCCVEGCSA-N 1 2 254.349 1.893 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)C1 ZINC000898503094 621778728 /nfs/dbraw/zinc/77/87/28/621778728.db2.gz HJWZLNMITMDGSZ-GFCCVEGCSA-N 1 2 254.349 1.893 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)c1ccsc1C#N)[NH+]1CCOCC1 ZINC000906582939 627336816 /nfs/dbraw/zinc/33/68/16/627336816.db2.gz RIQSYWHOIHZZAT-WDEREUQCSA-N 1 2 293.392 1.459 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913462063 630499683 /nfs/dbraw/zinc/49/96/83/630499683.db2.gz DIHYPNYSKCMYKH-HIFRSBDPSA-N 1 2 276.384 1.495 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913462065 630499948 /nfs/dbraw/zinc/49/99/48/630499948.db2.gz DIHYPNYSKCMYKH-ZFWWWQNUSA-N 1 2 276.384 1.495 20 30 CDEDLO CNC(=S)NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000917022485 632127480 /nfs/dbraw/zinc/12/74/80/632127480.db2.gz FAIRPIGIMDSBCW-UHFFFAOYSA-N 1 2 259.338 1.300 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnn(C(C)C)c2Cl)C1 ZINC001030748710 682450637 /nfs/dbraw/zinc/45/06/37/682450637.db2.gz GSLMJFVMZKEBFT-UHFFFAOYSA-N 1 2 294.786 1.555 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000923223627 683895575 /nfs/dbraw/zinc/89/55/75/683895575.db2.gz YSCOGIJTDUZVPE-UONOGXRCSA-N 1 2 281.400 1.198 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(CC)cc1 ZINC001038974622 683896983 /nfs/dbraw/zinc/89/69/83/683896983.db2.gz XTNNWSXYPVHHIM-OAHLLOKOSA-N 1 2 256.349 1.686 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(CC)cc1 ZINC001038974622 683896984 /nfs/dbraw/zinc/89/69/84/683896984.db2.gz XTNNWSXYPVHHIM-OAHLLOKOSA-N 1 2 256.349 1.686 20 30 CDEDLO CC#CCN1CC(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001030312539 679699483 /nfs/dbraw/zinc/69/94/83/679699483.db2.gz MFFQZAOIEYDIDM-UHFFFAOYSA-N 1 2 282.347 1.080 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(F)ccc2C)C1 ZINC001035461404 679702375 /nfs/dbraw/zinc/70/23/75/679702375.db2.gz SQVRXDWGZYMXDG-AWEZNQCLSA-N 1 2 292.354 1.751 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(F)ccc2C)C1 ZINC001035461404 679702376 /nfs/dbraw/zinc/70/23/76/679702376.db2.gz SQVRXDWGZYMXDG-AWEZNQCLSA-N 1 2 292.354 1.751 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(N3CCCC3)c2)C1 ZINC001031142149 679721853 /nfs/dbraw/zinc/72/18/53/679721853.db2.gz LYXOBHLGZPADGR-UHFFFAOYSA-N 1 2 297.402 1.724 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)C[C@@H](C)CC ZINC000884141957 679744804 /nfs/dbraw/zinc/74/48/04/679744804.db2.gz NQYULQWDUJBLAQ-TUAOUCFPSA-N 1 2 270.373 1.374 20 30 CDEDLO NC(=[NH+]OCCOCC(F)(F)F)c1ccccc1 ZINC000181487321 679746115 /nfs/dbraw/zinc/74/61/15/679746115.db2.gz WQGFHZBBZJDNBL-UHFFFAOYSA-N 1 2 262.231 1.902 20 30 CDEDLO O=C(C#CC1CC1)N1CC[C@@H]2CC[N@H+](Cc3ccon3)[C@@H]2C1 ZINC001042056660 679752276 /nfs/dbraw/zinc/75/22/76/679752276.db2.gz ARRPWXFNDSOEAE-GOEBONIOSA-N 1 2 299.374 1.511 20 30 CDEDLO O=C(C#CC1CC1)N1CC[C@@H]2CC[N@@H+](Cc3ccon3)[C@@H]2C1 ZINC001042056660 679752279 /nfs/dbraw/zinc/75/22/79/679752279.db2.gz ARRPWXFNDSOEAE-GOEBONIOSA-N 1 2 299.374 1.511 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(F)cc2F)C1 ZINC001031336646 679753173 /nfs/dbraw/zinc/75/31/73/679753173.db2.gz PXJLEQUSPSHVDX-UHFFFAOYSA-N 1 2 264.275 1.402 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000884312296 679763591 /nfs/dbraw/zinc/76/35/91/679763591.db2.gz ARURXSWGEDNGQC-XUXIUFHCSA-N 1 2 294.395 1.470 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](CCCF)[C@H]2C1 ZINC001074311611 679786606 /nfs/dbraw/zinc/78/66/06/679786606.db2.gz AGBYWWPBDGIKEW-UONOGXRCSA-N 1 2 298.402 1.860 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](CCCF)[C@H]2C1 ZINC001074311611 679786607 /nfs/dbraw/zinc/78/66/07/679786607.db2.gz AGBYWWPBDGIKEW-UONOGXRCSA-N 1 2 298.402 1.860 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(OC)ccc2OC)C1 ZINC001031370794 679787944 /nfs/dbraw/zinc/78/79/44/679787944.db2.gz GXUZTMZQCPPTOM-UHFFFAOYSA-N 1 2 288.347 1.141 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(C#N)cn1 ZINC000848080401 679789670 /nfs/dbraw/zinc/78/96/70/679789670.db2.gz ZHBWBNCXAODHQV-JTQLQIEISA-N 1 2 269.308 1.171 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(C#N)cn1 ZINC000848080401 679789671 /nfs/dbraw/zinc/78/96/71/679789671.db2.gz ZHBWBNCXAODHQV-JTQLQIEISA-N 1 2 269.308 1.171 20 30 CDEDLO CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCN(CC#N)CC1 ZINC001045466982 679795238 /nfs/dbraw/zinc/79/52/38/679795238.db2.gz CPYIFLBQMBDZLR-VXGBXAGGSA-N 1 2 287.367 1.007 20 30 CDEDLO CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCN(CC#N)CC1 ZINC001045466982 679795239 /nfs/dbraw/zinc/79/52/39/679795239.db2.gz CPYIFLBQMBDZLR-VXGBXAGGSA-N 1 2 287.367 1.007 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2ccccc2OC)C1 ZINC001031357094 679794503 /nfs/dbraw/zinc/79/45/03/679794503.db2.gz BVKVNTVZFUXIFN-UHFFFAOYSA-N 1 2 260.337 1.224 20 30 CDEDLO C#CC[C@@H]1CCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000884592998 679798689 /nfs/dbraw/zinc/79/86/89/679798689.db2.gz ACXJNTDWSSNOCD-CYBMUJFWSA-N 1 2 272.352 1.163 20 30 CDEDLO C#CC[C@@H]1CCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000884592998 679798690 /nfs/dbraw/zinc/79/86/90/679798690.db2.gz ACXJNTDWSSNOCD-CYBMUJFWSA-N 1 2 272.352 1.163 20 30 CDEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)F)C[C@H]21 ZINC001074132189 679801934 /nfs/dbraw/zinc/80/19/34/679801934.db2.gz USUBTPBLIUQTCU-CHWSQXEVSA-N 1 2 284.375 1.612 20 30 CDEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)F)C[C@H]21 ZINC001074132189 679801935 /nfs/dbraw/zinc/80/19/35/679801935.db2.gz USUBTPBLIUQTCU-CHWSQXEVSA-N 1 2 284.375 1.612 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cocn2)cc1 ZINC001038113189 679803640 /nfs/dbraw/zinc/80/36/40/679803640.db2.gz CIIVPPQVCWVMKX-AWEZNQCLSA-N 1 2 296.330 1.551 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cocn2)cc1 ZINC001038113189 679803641 /nfs/dbraw/zinc/80/36/41/679803641.db2.gz CIIVPPQVCWVMKX-AWEZNQCLSA-N 1 2 296.330 1.551 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1n[nH]cc1F ZINC001028119393 679816696 /nfs/dbraw/zinc/81/66/96/679816696.db2.gz FUQGODLHLNVEMK-VIFPVBQESA-N 1 2 286.738 1.496 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1n[nH]cc1F ZINC001028119393 679816697 /nfs/dbraw/zinc/81/66/97/679816697.db2.gz FUQGODLHLNVEMK-VIFPVBQESA-N 1 2 286.738 1.496 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C)c1C ZINC001017908157 679822097 /nfs/dbraw/zinc/82/20/97/679822097.db2.gz BVDJEKOOQRCBCM-GASCZTMLSA-N 1 2 285.391 1.646 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C)c1C ZINC001017908157 679822098 /nfs/dbraw/zinc/82/20/98/679822098.db2.gz BVDJEKOOQRCBCM-GASCZTMLSA-N 1 2 285.391 1.646 20 30 CDEDLO C#CCC[NH+]1CCN(c2nc(C(C)(C)OC)ns2)CC1 ZINC000865476895 679824282 /nfs/dbraw/zinc/82/42/82/679824282.db2.gz UOKRUHPSUNZIPV-UHFFFAOYSA-N 1 2 294.424 1.565 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(CC)c(CC)o1 ZINC001038918909 679824868 /nfs/dbraw/zinc/82/48/68/679824868.db2.gz FTMHKEGYQPUTHT-CYBMUJFWSA-N 1 2 274.364 1.842 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(CC)c(CC)o1 ZINC001038918909 679824869 /nfs/dbraw/zinc/82/48/69/679824869.db2.gz FTMHKEGYQPUTHT-CYBMUJFWSA-N 1 2 274.364 1.842 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnn(CC)c2)C1 ZINC001032959087 679823807 /nfs/dbraw/zinc/82/38/07/679823807.db2.gz VTUOADPLBNTSFH-ZDUSSCGKSA-N 1 2 296.802 1.802 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(CC)c2)C1 ZINC001032959087 679823808 /nfs/dbraw/zinc/82/38/08/679823808.db2.gz VTUOADPLBNTSFH-ZDUSSCGKSA-N 1 2 296.802 1.802 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C2CC2)no1 ZINC001038753612 679828101 /nfs/dbraw/zinc/82/81/01/679828101.db2.gz VBLXZYHOCNZLIB-LLVKDONJSA-N 1 2 261.325 1.542 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C2CC2)no1 ZINC001038753612 679828102 /nfs/dbraw/zinc/82/81/02/679828102.db2.gz VBLXZYHOCNZLIB-LLVKDONJSA-N 1 2 261.325 1.542 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(N(C)C)c1 ZINC001032751365 679849972 /nfs/dbraw/zinc/84/99/72/679849972.db2.gz XZWYFMMJOMSWAO-IRXDYDNUSA-N 1 2 297.402 1.675 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(N(C)C)c1 ZINC001032751365 679849973 /nfs/dbraw/zinc/84/99/73/679849973.db2.gz XZWYFMMJOMSWAO-IRXDYDNUSA-N 1 2 297.402 1.675 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2cnsn2)C(C)(C)C1 ZINC000995548713 679851489 /nfs/dbraw/zinc/85/14/89/679851489.db2.gz SDNJQJIJKXIXJD-KOLCDFICSA-N 1 2 293.396 1.024 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@H]1CC)O2 ZINC001053664106 679851943 /nfs/dbraw/zinc/85/19/43/679851943.db2.gz KRISUKHJAIYGMB-QLFBSQMISA-N 1 2 292.423 1.958 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)[C@]12C[C@H]1CCCC2 ZINC000884461107 679854124 /nfs/dbraw/zinc/85/41/24/679854124.db2.gz UWZABRLITSVRTD-FOCJUVANSA-N 1 2 294.395 1.518 20 30 CDEDLO C=C1CCC(C(=O)NCC2C[NH+](CCF)C2)CC1 ZINC001031951363 679854913 /nfs/dbraw/zinc/85/49/13/679854913.db2.gz GDRVYOCLTNIUSM-UHFFFAOYSA-N 1 2 254.349 1.750 20 30 CDEDLO C[C@@H]1C[C@H]([NH2+]Cc2cnsn2)CN1C(=O)C#CC1CC1 ZINC000988809779 679866469 /nfs/dbraw/zinc/86/64/69/679866469.db2.gz FBQQZNUDBLNABD-PWSUYJOCSA-N 1 2 290.392 1.031 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nccn1C ZINC000960494132 679868132 /nfs/dbraw/zinc/86/81/32/679868132.db2.gz MVUFPTAPLJQDII-CHWSQXEVSA-N 1 2 289.383 1.003 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nccn1C ZINC000960494132 679868133 /nfs/dbraw/zinc/86/81/33/679868133.db2.gz MVUFPTAPLJQDII-CHWSQXEVSA-N 1 2 289.383 1.003 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccco1 ZINC001050789140 679874722 /nfs/dbraw/zinc/87/47/22/679874722.db2.gz GUZXHISWAOXZCW-CYBMUJFWSA-N 1 2 278.352 1.676 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccco1 ZINC001050789140 679874724 /nfs/dbraw/zinc/87/47/24/679874724.db2.gz GUZXHISWAOXZCW-CYBMUJFWSA-N 1 2 278.352 1.676 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1C(C)(C)C ZINC001038829030 681210314 /nfs/dbraw/zinc/21/03/14/681210314.db2.gz HKOGRDHWENWJMP-LBPRGKRZSA-N 1 2 288.395 1.155 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1C(C)(C)C ZINC001038829030 681210328 /nfs/dbraw/zinc/21/03/28/681210328.db2.gz HKOGRDHWENWJMP-LBPRGKRZSA-N 1 2 288.395 1.155 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1scnc1C ZINC001038083024 681249575 /nfs/dbraw/zinc/24/95/75/681249575.db2.gz NZTGADUOZVRYAR-SNVBAGLBSA-N 1 2 251.355 1.442 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1scnc1C ZINC001038083024 681249585 /nfs/dbraw/zinc/24/95/85/681249585.db2.gz NZTGADUOZVRYAR-SNVBAGLBSA-N 1 2 251.355 1.442 20 30 CDEDLO C#CCC1(NC(=O)Nc2cc(C)[nH+]cc2C)CCOCC1 ZINC000887935737 681521406 /nfs/dbraw/zinc/52/14/06/681521406.db2.gz IIUVQKISYMVFFA-UHFFFAOYSA-N 1 2 287.363 1.814 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1nocc1C ZINC001051196440 681545926 /nfs/dbraw/zinc/54/59/26/681545926.db2.gz CSRBQXPXFLAQQV-ZDUSSCGKSA-N 1 2 293.367 1.380 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1nocc1C ZINC001051196440 681545933 /nfs/dbraw/zinc/54/59/33/681545933.db2.gz CSRBQXPXFLAQQV-ZDUSSCGKSA-N 1 2 293.367 1.380 20 30 CDEDLO C=CCON=Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872379880 681574638 /nfs/dbraw/zinc/57/46/38/681574638.db2.gz OZTJVYKUNHFLLV-UHFFFAOYSA-N 1 2 290.363 1.934 20 30 CDEDLO N#CCc1ccc(NC(=O)/C=C\C[NH+]2CCOCC2)cc1 ZINC000864576368 681635279 /nfs/dbraw/zinc/63/52/79/681635279.db2.gz ZCNVCJPQQQJIQV-UPHRSURJSA-N 1 2 285.347 1.580 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ocnc2C2CC2)C1 ZINC000923560196 681639613 /nfs/dbraw/zinc/63/96/13/681639613.db2.gz PPNDFGCAMWIRNY-LBPRGKRZSA-N 1 2 273.336 1.379 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ocnc2C2CC2)C1 ZINC000923560196 681639626 /nfs/dbraw/zinc/63/96/26/681639626.db2.gz PPNDFGCAMWIRNY-LBPRGKRZSA-N 1 2 273.336 1.379 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC13CCC3)O2 ZINC001053670494 681802800 /nfs/dbraw/zinc/80/28/00/681802800.db2.gz OWFVZYGNQBQJGM-UONOGXRCSA-N 1 2 290.407 1.712 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC000800346603 681822981 /nfs/dbraw/zinc/82/29/81/681822981.db2.gz ZUVMGBWACQWHLT-NSHDSACASA-N 1 2 286.372 1.561 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC000800346603 681822982 /nfs/dbraw/zinc/82/29/82/681822982.db2.gz ZUVMGBWACQWHLT-NSHDSACASA-N 1 2 286.372 1.561 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cn1 ZINC001038569883 681834681 /nfs/dbraw/zinc/83/46/81/681834681.db2.gz GAWXAHBZALMURZ-LLVKDONJSA-N 1 2 297.280 1.538 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cn1 ZINC001038569883 681834682 /nfs/dbraw/zinc/83/46/82/681834682.db2.gz GAWXAHBZALMURZ-LLVKDONJSA-N 1 2 297.280 1.538 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccnc1 ZINC001050787173 681871835 /nfs/dbraw/zinc/87/18/35/681871835.db2.gz KBYWWFYZFQDZKN-CQSZACIVSA-N 1 2 275.352 1.088 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cccnc1 ZINC001050787173 681871838 /nfs/dbraw/zinc/87/18/38/681871838.db2.gz KBYWWFYZFQDZKN-CQSZACIVSA-N 1 2 275.352 1.088 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCN(c2ccc(C)cc2)C(=O)C1 ZINC000796088851 681874018 /nfs/dbraw/zinc/87/40/18/681874018.db2.gz JJTBDCUGWHTDBW-INIZCTEOSA-N 1 2 288.391 1.971 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCN(c2ccc(C)cc2)C(=O)C1 ZINC000796088851 681874020 /nfs/dbraw/zinc/87/40/20/681874020.db2.gz JJTBDCUGWHTDBW-INIZCTEOSA-N 1 2 288.391 1.971 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnn1CCC ZINC001017587290 681880952 /nfs/dbraw/zinc/88/09/52/681880952.db2.gz SDAQGJLLKCECMK-OKILXGFUSA-N 1 2 286.379 1.215 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnn1CCC ZINC001017587290 681880955 /nfs/dbraw/zinc/88/09/55/681880955.db2.gz SDAQGJLLKCECMK-OKILXGFUSA-N 1 2 286.379 1.215 20 30 CDEDLO N#Cc1ccc(O)c(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)c1 ZINC000787476622 681896573 /nfs/dbraw/zinc/89/65/73/681896573.db2.gz XMWRECWKJLBYSV-ZDUSSCGKSA-N 1 2 271.320 1.829 20 30 CDEDLO N#Cc1ccc(O)c(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)c1 ZINC000787476622 681896574 /nfs/dbraw/zinc/89/65/74/681896574.db2.gz XMWRECWKJLBYSV-ZDUSSCGKSA-N 1 2 271.320 1.829 20 30 CDEDLO C#CCNC(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000049282156 681947957 /nfs/dbraw/zinc/94/79/57/681947957.db2.gz NURDXAWEZWHHKX-UHFFFAOYSA-N 1 2 291.782 1.211 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC2(F)F)C1 ZINC001031656037 681977778 /nfs/dbraw/zinc/97/77/78/681977778.db2.gz RVNIXKIPGLHXMK-SECBINFHSA-N 1 2 264.703 1.442 20 30 CDEDLO Cc1ccc(C(=O)OCc2c[nH+]cn2C)cc1C#N ZINC000799614670 681993644 /nfs/dbraw/zinc/99/36/44/681993644.db2.gz QZIQMXVVZHFXJB-UHFFFAOYSA-N 1 2 255.277 1.957 20 30 CDEDLO Cc1ncc(C[N@@H+]2CCCN(C(=O)C#CC3CC3)CC2)cn1 ZINC000981125624 682030892 /nfs/dbraw/zinc/03/08/92/682030892.db2.gz HHJPKNHXRGQHFY-UHFFFAOYSA-N 1 2 298.390 1.233 20 30 CDEDLO Cc1ncc(C[N@H+]2CCCN(C(=O)C#CC3CC3)CC2)cn1 ZINC000981125624 682030893 /nfs/dbraw/zinc/03/08/93/682030893.db2.gz HHJPKNHXRGQHFY-UHFFFAOYSA-N 1 2 298.390 1.233 20 30 CDEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C)[nH]1 ZINC001017415140 682039867 /nfs/dbraw/zinc/03/98/67/682039867.db2.gz BMLGWFSBQACMNP-BETUJISGSA-N 1 2 272.352 1.030 20 30 CDEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C)[nH]1 ZINC001017415140 682039876 /nfs/dbraw/zinc/03/98/76/682039876.db2.gz BMLGWFSBQACMNP-BETUJISGSA-N 1 2 272.352 1.030 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C2CC2)nn1C ZINC001017595706 682196131 /nfs/dbraw/zinc/19/61/31/682196131.db2.gz NJWFWWDPZMYDDE-OKILXGFUSA-N 1 2 298.390 1.220 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C2CC2)nn1C ZINC001017595706 682196141 /nfs/dbraw/zinc/19/61/41/682196141.db2.gz NJWFWWDPZMYDDE-OKILXGFUSA-N 1 2 298.390 1.220 20 30 CDEDLO C=C(C)C[C@H](CO)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000882903323 682215516 /nfs/dbraw/zinc/21/55/16/682215516.db2.gz ZXAINHLODCBNIM-CMPLNLGQSA-N 1 2 251.330 1.032 20 30 CDEDLO C=C(C)C[C@H](CO)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000882903323 682215524 /nfs/dbraw/zinc/21/55/24/682215524.db2.gz ZXAINHLODCBNIM-CMPLNLGQSA-N 1 2 251.330 1.032 20 30 CDEDLO C#CCSCCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845569568 682234352 /nfs/dbraw/zinc/23/43/52/682234352.db2.gz MCRPKEVXDXRPKJ-LLVKDONJSA-N 1 2 252.339 1.744 20 30 CDEDLO C[C@@H](c1ncccn1)[N@H+](C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971511876 682243296 /nfs/dbraw/zinc/24/32/96/682243296.db2.gz SRIFOMQQYOBJSN-DZGCQCFKSA-N 1 2 298.390 1.484 20 30 CDEDLO C[C@@H](c1ncccn1)[N@@H+](C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971511876 682243303 /nfs/dbraw/zinc/24/33/03/682243303.db2.gz SRIFOMQQYOBJSN-DZGCQCFKSA-N 1 2 298.390 1.484 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2)C1 ZINC000932161467 682268012 /nfs/dbraw/zinc/26/80/12/682268012.db2.gz MQFPWDWMMUMGQG-KBPBESRZSA-N 1 2 260.337 1.662 20 30 CDEDLO N#C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2)C1 ZINC000932161467 682268019 /nfs/dbraw/zinc/26/80/19/682268019.db2.gz MQFPWDWMMUMGQG-KBPBESRZSA-N 1 2 260.337 1.662 20 30 CDEDLO C#CCN1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000847488825 682273440 /nfs/dbraw/zinc/27/34/40/682273440.db2.gz GYORUFXNDCYCHN-UHFFFAOYSA-N 1 2 282.347 1.034 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)CCCCCC#N ZINC000805696429 682299420 /nfs/dbraw/zinc/29/94/20/682299420.db2.gz CGCQQRARZLBQHN-ZDUSSCGKSA-N 1 2 268.357 1.724 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccsc1C ZINC001038244506 682320494 /nfs/dbraw/zinc/32/04/94/682320494.db2.gz ZKQBLHXQSGWLMY-LBPRGKRZSA-N 1 2 262.378 1.884 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccsc1C ZINC001038244506 682320497 /nfs/dbraw/zinc/32/04/97/682320497.db2.gz ZKQBLHXQSGWLMY-LBPRGKRZSA-N 1 2 262.378 1.884 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)[nH]c(=O)c1 ZINC001017739503 682357005 /nfs/dbraw/zinc/35/70/05/682357005.db2.gz OAGPOTDQDFUVAV-GASCZTMLSA-N 1 2 299.374 1.272 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)[nH]c(=O)c1 ZINC001017739503 682357010 /nfs/dbraw/zinc/35/70/10/682357010.db2.gz OAGPOTDQDFUVAV-GASCZTMLSA-N 1 2 299.374 1.272 20 30 CDEDLO CC(C)OC(=O)[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)C(C)C ZINC000886231603 682365743 /nfs/dbraw/zinc/36/57/43/682365743.db2.gz HMEQTIVYCQOLSN-KGLIPLIRSA-N 1 2 296.411 1.997 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2cc(C)c(CC)o2)CC1 ZINC000989469557 682379661 /nfs/dbraw/zinc/37/96/61/682379661.db2.gz OFWZKHJJNUZRMR-UHFFFAOYSA-N 1 2 274.364 1.932 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc(C)c(CC)o2)CC1 ZINC000989469557 682379666 /nfs/dbraw/zinc/37/96/66/682379666.db2.gz OFWZKHJJNUZRMR-UHFFFAOYSA-N 1 2 274.364 1.932 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2F)C1 ZINC000932160097 682383915 /nfs/dbraw/zinc/38/39/15/682383915.db2.gz BTQCLGSQQYCEHI-CHWSQXEVSA-N 1 2 278.327 1.801 20 30 CDEDLO N#C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2F)C1 ZINC000932160097 682383918 /nfs/dbraw/zinc/38/39/18/682383918.db2.gz BTQCLGSQQYCEHI-CHWSQXEVSA-N 1 2 278.327 1.801 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)nn1 ZINC000881397008 682393476 /nfs/dbraw/zinc/39/34/76/682393476.db2.gz SVOJGGAAGQIHGD-QEJZJMRPSA-N 1 2 274.368 1.349 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1ccccc1C ZINC001032764294 682393983 /nfs/dbraw/zinc/39/39/83/682393983.db2.gz NAGUMISJTIMRMG-GJZGRUSLSA-N 1 2 284.359 1.292 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1ccccc1C ZINC001032764294 682393988 /nfs/dbraw/zinc/39/39/88/682393988.db2.gz NAGUMISJTIMRMG-GJZGRUSLSA-N 1 2 284.359 1.292 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC001031330544 682416524 /nfs/dbraw/zinc/41/65/24/682416524.db2.gz HHSXTBFRWNVSHG-UHFFFAOYSA-N 1 2 284.363 1.482 20 30 CDEDLO CCCCCCCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000858141477 682421246 /nfs/dbraw/zinc/42/12/46/682421246.db2.gz OSXZANNAPDPYDB-AWEZNQCLSA-N 1 2 285.432 1.977 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)OC ZINC001017406951 682423966 /nfs/dbraw/zinc/42/39/66/682423966.db2.gz YIBXHXFFRYDFGP-MJBXVCDLSA-N 1 2 264.369 1.110 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)OC ZINC001017406951 682423965 /nfs/dbraw/zinc/42/39/65/682423965.db2.gz YIBXHXFFRYDFGP-MJBXVCDLSA-N 1 2 264.369 1.110 20 30 CDEDLO O=C(C#CC1CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000837316194 682450539 /nfs/dbraw/zinc/45/05/39/682450539.db2.gz HTLAQLZVPWGJDW-UHFFFAOYSA-N 1 2 274.389 1.806 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2nc(C)ncc2Cl)C1 ZINC001044009007 682462658 /nfs/dbraw/zinc/46/26/58/682462658.db2.gz BQOPBWLFQFRIGA-UHFFFAOYSA-N 1 2 292.770 1.218 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(N(C)C(C)C)cc2)C1 ZINC001031481088 682509305 /nfs/dbraw/zinc/50/93/05/682509305.db2.gz MDQNRFZVYVSXNJ-UHFFFAOYSA-N 1 2 299.418 1.969 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(-c2cnco2)c1 ZINC001038871563 682520297 /nfs/dbraw/zinc/52/02/97/682520297.db2.gz HHYNRNXVERDAAS-HNNXBMFYSA-N 1 2 295.342 1.779 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(-c2cnco2)c1 ZINC001038871563 682520305 /nfs/dbraw/zinc/52/03/05/682520305.db2.gz HHYNRNXVERDAAS-HNNXBMFYSA-N 1 2 295.342 1.779 20 30 CDEDLO CC#CC[N@@H+]1CC[C@]2(NC(=O)c3[nH]ncc3F)CCC[C@@H]12 ZINC000992168387 682522896 /nfs/dbraw/zinc/52/28/96/682522896.db2.gz GHDHXZJKUSAUTB-IUODEOHRSA-N 1 2 290.342 1.299 20 30 CDEDLO CC#CC[N@H+]1CC[C@]2(NC(=O)c3[nH]ncc3F)CCC[C@@H]12 ZINC000992168387 682522901 /nfs/dbraw/zinc/52/29/01/682522901.db2.gz GHDHXZJKUSAUTB-IUODEOHRSA-N 1 2 290.342 1.299 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCO1 ZINC001027829075 682534928 /nfs/dbraw/zinc/53/49/28/682534928.db2.gz UICOSNQAJPRBDJ-QWHCGFSZSA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCO1 ZINC001027829075 682534925 /nfs/dbraw/zinc/53/49/25/682534925.db2.gz UICOSNQAJPRBDJ-QWHCGFSZSA-N 1 2 286.803 1.889 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ncccc2o1 ZINC001032525931 682665223 /nfs/dbraw/zinc/66/52/23/682665223.db2.gz IAAMUEDQXPJFRN-STQMWFEESA-N 1 2 295.342 1.750 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ncccc2o1 ZINC001032525931 682665224 /nfs/dbraw/zinc/66/52/24/682665224.db2.gz IAAMUEDQXPJFRN-STQMWFEESA-N 1 2 295.342 1.750 20 30 CDEDLO Cc1nc(NC2(C)CCN(C(=O)[C@H](C)C#N)CC2)cc[nH+]1 ZINC001067240971 682689946 /nfs/dbraw/zinc/68/99/46/682689946.db2.gz XQYWTITWPWKIBO-LLVKDONJSA-N 1 2 287.367 1.738 20 30 CDEDLO N#Cc1cc(F)cc(NC(=O)/C=C/C[NH+]2CCOCC2)c1 ZINC000869862170 682764952 /nfs/dbraw/zinc/76/49/52/682764952.db2.gz XWMFDTKYUABTSV-OWOJBTEDSA-N 1 2 289.310 1.524 20 30 CDEDLO Nc1ncc(C=[NH+]NCc2ccc(Cl)cc2)cn1 ZINC000781594515 682778322 /nfs/dbraw/zinc/77/83/22/682778322.db2.gz HPLOWGMAUOVBGJ-UHFFFAOYSA-N 1 2 261.716 1.836 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)C1 ZINC001031063413 682805233 /nfs/dbraw/zinc/80/52/33/682805233.db2.gz UDUITYFESMCMJP-GVDBMIGSSA-N 1 2 282.387 1.949 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#CC ZINC001032607103 682829435 /nfs/dbraw/zinc/82/94/35/682829435.db2.gz CMHLBGXOEJHWSX-DZKIICNBSA-N 1 2 260.381 1.897 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#CC ZINC001032607103 682829436 /nfs/dbraw/zinc/82/94/36/682829436.db2.gz CMHLBGXOEJHWSX-DZKIICNBSA-N 1 2 260.381 1.897 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2OCCc3ccccc32)C1 ZINC001030774820 682836810 /nfs/dbraw/zinc/83/68/10/682836810.db2.gz SYXMQQGPZKUFFT-INIZCTEOSA-N 1 2 284.359 1.124 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000776041848 682839150 /nfs/dbraw/zinc/83/91/50/682839150.db2.gz NYKROGQTOLDLRP-ZIAGYGMSSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000776041848 682839151 /nfs/dbraw/zinc/83/91/51/682839151.db2.gz NYKROGQTOLDLRP-ZIAGYGMSSA-N 1 2 283.416 1.751 20 30 CDEDLO CC(C)C[N@H+](CCC#N)C[C@@H]1CCCS(=O)(=O)C1 ZINC000792867309 682860268 /nfs/dbraw/zinc/86/02/68/682860268.db2.gz OYHBEIGAEMHTRO-ZDUSSCGKSA-N 1 2 272.414 1.683 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)C[C@@H]1CCCS(=O)(=O)C1 ZINC000792867309 682860269 /nfs/dbraw/zinc/86/02/69/682860269.db2.gz OYHBEIGAEMHTRO-ZDUSSCGKSA-N 1 2 272.414 1.683 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)C2CC2)CC1 ZINC001000345091 683040972 /nfs/dbraw/zinc/04/09/72/683040972.db2.gz GKRGGPOWFZHJLI-UHFFFAOYSA-N 1 2 254.761 1.897 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)C2CC2)CC1 ZINC001000345091 683040977 /nfs/dbraw/zinc/04/09/77/683040977.db2.gz GKRGGPOWFZHJLI-UHFFFAOYSA-N 1 2 254.761 1.897 20 30 CDEDLO Cc1c(N[NH+]=Cc2cnc(N)nc2)cccc1[N+](=O)[O-] ZINC000781593195 683044473 /nfs/dbraw/zinc/04/44/73/683044473.db2.gz PMSLWCGSLVMXNO-UHFFFAOYSA-N 1 2 272.268 1.721 20 30 CDEDLO CCOC(=O)[C@H]1C[N@H+](CCc2ccc(C#N)cc2)CCO1 ZINC000851782742 683048198 /nfs/dbraw/zinc/04/81/98/683048198.db2.gz XERIOFBLDHHVQP-OAHLLOKOSA-N 1 2 288.347 1.365 20 30 CDEDLO CCOC(=O)[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)CCO1 ZINC000851782742 683048204 /nfs/dbraw/zinc/04/82/04/683048204.db2.gz XERIOFBLDHHVQP-OAHLLOKOSA-N 1 2 288.347 1.365 20 30 CDEDLO C#CCC[NH+]1CCC(NC(=O)C(F)C(F)(F)F)CC1 ZINC000810429101 683055843 /nfs/dbraw/zinc/05/58/43/683055843.db2.gz XLVHPSQBCXODNS-JTQLQIEISA-N 1 2 280.265 1.491 20 30 CDEDLO C#CCC[NH+]1CCC(NC(=O)[C@H](F)C(F)(F)F)CC1 ZINC000810429101 683055849 /nfs/dbraw/zinc/05/58/49/683055849.db2.gz XLVHPSQBCXODNS-JTQLQIEISA-N 1 2 280.265 1.491 20 30 CDEDLO C[C@H]1CCC[N@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794637836 683104700 /nfs/dbraw/zinc/10/47/00/683104700.db2.gz YVMRJNAFDPBNLS-VIFPVBQESA-N 1 2 251.359 1.459 20 30 CDEDLO C[C@H]1CCC[N@@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794637836 683104694 /nfs/dbraw/zinc/10/46/94/683104694.db2.gz YVMRJNAFDPBNLS-VIFPVBQESA-N 1 2 251.359 1.459 20 30 CDEDLO C#CCOc1cccc(NC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000819438916 683148682 /nfs/dbraw/zinc/14/86/82/683148682.db2.gz LCJDQFQQEMFIHW-OAHLLOKOSA-N 1 2 287.363 1.317 20 30 CDEDLO C#CCOc1cccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000819438916 683148685 /nfs/dbraw/zinc/14/86/85/683148685.db2.gz LCJDQFQQEMFIHW-OAHLLOKOSA-N 1 2 287.363 1.317 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccnc3)C[C@@H]21 ZINC001074148300 683154160 /nfs/dbraw/zinc/15/41/60/683154160.db2.gz SNBFYBVCSZINPL-JKSUJKDBSA-N 1 2 299.374 1.020 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccnc3)C[C@@H]21 ZINC001074148300 683154164 /nfs/dbraw/zinc/15/41/64/683154164.db2.gz SNBFYBVCSZINPL-JKSUJKDBSA-N 1 2 299.374 1.020 20 30 CDEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2ccc(C#N)cc2C)C1 ZINC000805476388 683180652 /nfs/dbraw/zinc/18/06/52/683180652.db2.gz NWCYTQSSYDQRSF-OAHLLOKOSA-N 1 2 288.347 1.631 20 30 CDEDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2ccc(C#N)cc2C)C1 ZINC000805476388 683180656 /nfs/dbraw/zinc/18/06/56/683180656.db2.gz NWCYTQSSYDQRSF-OAHLLOKOSA-N 1 2 288.347 1.631 20 30 CDEDLO Cc1cc(C[N@H+]2CCCN(C(=O)[C@H](C)C#N)CC2)on1 ZINC000980848187 683231489 /nfs/dbraw/zinc/23/14/89/683231489.db2.gz RJRINQZQFQGHJT-LLVKDONJSA-N 1 2 276.340 1.177 20 30 CDEDLO Cc1cc(C[N@@H+]2CCCN(C(=O)[C@H](C)C#N)CC2)on1 ZINC000980848187 683231494 /nfs/dbraw/zinc/23/14/94/683231494.db2.gz RJRINQZQFQGHJT-LLVKDONJSA-N 1 2 276.340 1.177 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)cc2C1 ZINC001054277531 683235286 /nfs/dbraw/zinc/23/52/86/683235286.db2.gz HXXUIRALBAWRLK-FVQHAEBGSA-N 1 2 296.370 1.144 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)cc2C1 ZINC001054277531 683235296 /nfs/dbraw/zinc/23/52/96/683235296.db2.gz HXXUIRALBAWRLK-FVQHAEBGSA-N 1 2 296.370 1.144 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cnco2)C1 ZINC001073717225 683248378 /nfs/dbraw/zinc/24/83/78/683248378.db2.gz ZJTXMSZRERJRKT-NSHDSACASA-N 1 2 299.758 1.248 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2cnco2)C1 ZINC001073717225 683248383 /nfs/dbraw/zinc/24/83/83/683248383.db2.gz ZJTXMSZRERJRKT-NSHDSACASA-N 1 2 299.758 1.248 20 30 CDEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)C(C)(C)C ZINC001017424536 683253788 /nfs/dbraw/zinc/25/37/88/683253788.db2.gz UYHZFVBJDLWXHC-BETUJISGSA-N 1 2 276.380 1.300 20 30 CDEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)C(C)(C)C ZINC001017424536 683253792 /nfs/dbraw/zinc/25/37/92/683253792.db2.gz UYHZFVBJDLWXHC-BETUJISGSA-N 1 2 276.380 1.300 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2cncs2)CC[C@H]1C ZINC001071376176 683260967 /nfs/dbraw/zinc/26/09/67/683260967.db2.gz PDPYUSDGUVQWRE-GHMZBOCLSA-N 1 2 263.366 1.359 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2cncs2)CC[C@H]1C ZINC001071376176 683260969 /nfs/dbraw/zinc/26/09/69/683260969.db2.gz PDPYUSDGUVQWRE-GHMZBOCLSA-N 1 2 263.366 1.359 20 30 CDEDLO Cc1nc(N(C)C2CCN(C(=O)C#CC3CC3)CC2)cc[nH+]1 ZINC001068672439 683274125 /nfs/dbraw/zinc/27/41/25/683274125.db2.gz BWKFUECJGUIQDR-UHFFFAOYSA-N 1 2 298.390 1.626 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)c2c1CCC2 ZINC001039062042 683299117 /nfs/dbraw/zinc/29/91/17/683299117.db2.gz QQBFYOILDVLZFV-AWEZNQCLSA-N 1 2 282.387 1.921 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)c2c1CCC2 ZINC001039062042 683299119 /nfs/dbraw/zinc/29/91/19/683299119.db2.gz QQBFYOILDVLZFV-AWEZNQCLSA-N 1 2 282.387 1.921 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cncc(C)c2)C1 ZINC001035327948 683299484 /nfs/dbraw/zinc/29/94/84/683299484.db2.gz OPRRMXJUHYCXGM-AWEZNQCLSA-N 1 2 275.352 1.007 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cncc(C)c2)C1 ZINC001035327948 683299495 /nfs/dbraw/zinc/29/94/95/683299495.db2.gz OPRRMXJUHYCXGM-AWEZNQCLSA-N 1 2 275.352 1.007 20 30 CDEDLO N#CCC[NH2+]C[C@@H]1CC(c2ccc3c(c2)CCO3)=NO1 ZINC000819292467 683376860 /nfs/dbraw/zinc/37/68/60/683376860.db2.gz IXTVCAPFXRNQNX-ZDUSSCGKSA-N 1 2 271.320 1.618 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC001044060976 683379474 /nfs/dbraw/zinc/37/94/74/683379474.db2.gz JULGVNUCVQJFNL-NSHDSACASA-N 1 2 288.395 1.296 20 30 CDEDLO C=CCN1CCN(C[N@@H+]2CCS[C@H](C)C2)C1=O ZINC000839990603 683393671 /nfs/dbraw/zinc/39/36/71/683393671.db2.gz ICDIVIWJALVCJH-LLVKDONJSA-N 1 2 255.387 1.305 20 30 CDEDLO C=CCN1CCN(C[N@H+]2CCS[C@H](C)C2)C1=O ZINC000839990603 683393679 /nfs/dbraw/zinc/39/36/79/683393679.db2.gz ICDIVIWJALVCJH-LLVKDONJSA-N 1 2 255.387 1.305 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(OC(C)C)nc2)C1 ZINC001030402218 683433526 /nfs/dbraw/zinc/43/35/26/683433526.db2.gz PIWPJLPHYXSIAK-UHFFFAOYSA-N 1 2 287.363 1.306 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CCc2ccccc21 ZINC001032811382 683472885 /nfs/dbraw/zinc/47/28/85/683472885.db2.gz ZBRCGEAOIRQQBH-TXPKVOOTSA-N 1 2 294.398 1.809 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CCc2ccccc21 ZINC001032811382 683472890 /nfs/dbraw/zinc/47/28/90/683472890.db2.gz ZBRCGEAOIRQQBH-TXPKVOOTSA-N 1 2 294.398 1.809 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C(C)C)nc1C ZINC001032668028 683514963 /nfs/dbraw/zinc/51/49/63/683514963.db2.gz PEYADOKZMVLJLV-KBPBESRZSA-N 1 2 298.390 1.440 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C(C)C)nc1C ZINC001032668028 683514965 /nfs/dbraw/zinc/51/49/65/683514965.db2.gz PEYADOKZMVLJLV-KBPBESRZSA-N 1 2 298.390 1.440 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001038274475 683540927 /nfs/dbraw/zinc/54/09/27/683540927.db2.gz VVAXCMUPMZKNCL-SOUVJXGZSA-N 1 2 269.348 1.009 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001038274475 683540930 /nfs/dbraw/zinc/54/09/30/683540930.db2.gz VVAXCMUPMZKNCL-SOUVJXGZSA-N 1 2 269.348 1.009 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C)c(C)n2)C1 ZINC001035453508 683543177 /nfs/dbraw/zinc/54/31/77/683543177.db2.gz XYVPNFJWISZZCC-CQSZACIVSA-N 1 2 289.379 1.315 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(C)c(C)n2)C1 ZINC001035453508 683543185 /nfs/dbraw/zinc/54/31/85/683543185.db2.gz XYVPNFJWISZZCC-CQSZACIVSA-N 1 2 289.379 1.315 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](C)C(C)(C)C ZINC000884141580 683615335 /nfs/dbraw/zinc/61/53/35/683615335.db2.gz CMLWWHNPXYNITO-MNOVXSKESA-N 1 2 270.373 1.231 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nccs1 ZINC001039455020 683640111 /nfs/dbraw/zinc/64/01/11/683640111.db2.gz BHWLFRHGVUSMFA-NEPJUHHUSA-N 1 2 275.377 1.455 20 30 CDEDLO C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nccs1 ZINC001039455020 683640115 /nfs/dbraw/zinc/64/01/15/683640115.db2.gz BHWLFRHGVUSMFA-NEPJUHHUSA-N 1 2 275.377 1.455 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cnc[nH]1 ZINC001032437130 683675879 /nfs/dbraw/zinc/67/58/79/683675879.db2.gz VFJRCVMTTCFRKW-KBPBESRZSA-N 1 2 274.368 1.204 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cnc[nH]1 ZINC001032437130 683675884 /nfs/dbraw/zinc/67/58/84/683675884.db2.gz VFJRCVMTTCFRKW-KBPBESRZSA-N 1 2 274.368 1.204 20 30 CDEDLO Cn1ncc(C=[NH+][N-]c2[nH]c3cc(F)c(F)cc3[nH+]2)c1N ZINC000814795201 683696308 /nfs/dbraw/zinc/69/63/08/683696308.db2.gz STODXKIUCDQADM-UHFFFAOYSA-N 1 2 291.265 1.603 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CCCO2)c1 ZINC001038023894 683723427 /nfs/dbraw/zinc/72/34/27/683723427.db2.gz CONAYTIXCGBOGM-HZPDHXFCSA-N 1 2 299.374 1.428 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CCCO2)c1 ZINC001038023894 683723437 /nfs/dbraw/zinc/72/34/37/683723437.db2.gz CONAYTIXCGBOGM-HZPDHXFCSA-N 1 2 299.374 1.428 20 30 CDEDLO C#CCOc1ccc(NC(=O)NCCn2cc[nH+]c2)cc1 ZINC000108524276 683724643 /nfs/dbraw/zinc/72/46/43/683724643.db2.gz XXRUNVDOHGFCCB-UHFFFAOYSA-N 1 2 284.319 1.717 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(CC)[nH]n2)C1 ZINC001032917523 683734188 /nfs/dbraw/zinc/73/41/88/683734188.db2.gz XLNPOUHXULBJTJ-CYBMUJFWSA-N 1 2 274.368 1.142 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(CC)[nH]n2)C1 ZINC001032917523 683734192 /nfs/dbraw/zinc/73/41/92/683734192.db2.gz XLNPOUHXULBJTJ-CYBMUJFWSA-N 1 2 274.368 1.142 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001035293417 683742008 /nfs/dbraw/zinc/74/20/08/683742008.db2.gz OLYBLHSRYVZQHH-KGLIPLIRSA-N 1 2 264.369 1.346 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001035293417 683742013 /nfs/dbraw/zinc/74/20/13/683742013.db2.gz OLYBLHSRYVZQHH-KGLIPLIRSA-N 1 2 264.369 1.346 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2ccc[nH]2)C1 ZINC001073532618 683759214 /nfs/dbraw/zinc/75/92/14/683759214.db2.gz VGPQFCMAPUWLFZ-GFCCVEGCSA-N 1 2 297.786 1.588 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2ccc[nH]2)C1 ZINC001073532618 683759216 /nfs/dbraw/zinc/75/92/16/683759216.db2.gz VGPQFCMAPUWLFZ-GFCCVEGCSA-N 1 2 297.786 1.588 20 30 CDEDLO CC[N@@H+]1CC[C@H]1C/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000887270738 683769758 /nfs/dbraw/zinc/76/97/58/683769758.db2.gz SNMOCPJEEVNXBG-QENILXLESA-N 1 2 263.297 1.814 20 30 CDEDLO CC[N@H+]1CC[C@H]1C/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000887270738 683769761 /nfs/dbraw/zinc/76/97/61/683769761.db2.gz SNMOCPJEEVNXBG-QENILXLESA-N 1 2 263.297 1.814 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1Cl ZINC001038940006 683790595 /nfs/dbraw/zinc/79/05/95/683790595.db2.gz KNIQXCUMDAXAEV-LLVKDONJSA-N 1 2 262.740 1.777 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1Cl ZINC001038940006 683790600 /nfs/dbraw/zinc/79/06/00/683790600.db2.gz KNIQXCUMDAXAEV-LLVKDONJSA-N 1 2 262.740 1.777 20 30 CDEDLO C=CCn1cc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CCF)C2)nn1 ZINC001071883697 683801412 /nfs/dbraw/zinc/80/14/12/683801412.db2.gz PLCAIBLOSARFHX-RYUDHWBXSA-N 1 2 295.362 1.016 20 30 CDEDLO C=CCn1cc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCF)C2)nn1 ZINC001071883697 683801413 /nfs/dbraw/zinc/80/14/13/683801413.db2.gz PLCAIBLOSARFHX-RYUDHWBXSA-N 1 2 295.362 1.016 20 30 CDEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)CC)C2)CC1 ZINC001051985342 683810193 /nfs/dbraw/zinc/81/01/93/683810193.db2.gz WOPUVSHLZQOOTP-HOTGVXAUSA-N 1 2 293.455 1.827 20 30 CDEDLO Cn1cnc2c1CC[N@H+](Cc1cncc(C#N)c1)C2 ZINC000929583029 683818979 /nfs/dbraw/zinc/81/89/79/683818979.db2.gz JUCLWBZCGSJJPX-UHFFFAOYSA-N 1 2 253.309 1.245 20 30 CDEDLO Cn1cnc2c1CC[N@@H+](Cc1cncc(C#N)c1)C2 ZINC000929583029 683818983 /nfs/dbraw/zinc/81/89/83/683818983.db2.gz JUCLWBZCGSJJPX-UHFFFAOYSA-N 1 2 253.309 1.245 20 30 CDEDLO C=CCc1cc(C[N@H+]2CC(=O)N[C@H](C)C2)c(O)c(OC)c1 ZINC000840131975 683820014 /nfs/dbraw/zinc/82/00/14/683820014.db2.gz GRFGSRJCHFBQMB-LLVKDONJSA-N 1 2 290.363 1.450 20 30 CDEDLO C=CCc1cc(C[N@@H+]2CC(=O)N[C@H](C)C2)c(O)c(OC)c1 ZINC000840131975 683820015 /nfs/dbraw/zinc/82/00/15/683820015.db2.gz GRFGSRJCHFBQMB-LLVKDONJSA-N 1 2 290.363 1.450 20 30 CDEDLO N#CCC1CC[NH+](Cc2cn(C[C@H]3CCCO3)nn2)CC1 ZINC000877191524 683825700 /nfs/dbraw/zinc/82/57/00/683825700.db2.gz YSXHGEWCUTZOKL-OAHLLOKOSA-N 1 2 289.383 1.583 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccncc2C)C1 ZINC001010871170 683844831 /nfs/dbraw/zinc/84/48/31/683844831.db2.gz SUKOESWGIPLGIQ-LBPRGKRZSA-N 1 2 279.771 1.947 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccncc2C)C1 ZINC001010871170 683844834 /nfs/dbraw/zinc/84/48/34/683844834.db2.gz SUKOESWGIPLGIQ-LBPRGKRZSA-N 1 2 279.771 1.947 20 30 CDEDLO Cc1cc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)no1 ZINC001027336102 683851235 /nfs/dbraw/zinc/85/12/35/683851235.db2.gz NKUISYDCWSSDHA-FZMZJTMJSA-N 1 2 290.367 1.566 20 30 CDEDLO Cc1cc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)no1 ZINC001027336102 683851236 /nfs/dbraw/zinc/85/12/36/683851236.db2.gz NKUISYDCWSSDHA-FZMZJTMJSA-N 1 2 290.367 1.566 20 30 CDEDLO CC(C)C[C@@H]1NC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853525694 683858982 /nfs/dbraw/zinc/85/89/82/683858982.db2.gz IMORSVYSPVFQPV-OLZOCXBDSA-N 1 2 292.383 1.536 20 30 CDEDLO CC(C)C[C@@H]1NC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853525694 683858983 /nfs/dbraw/zinc/85/89/83/683858983.db2.gz IMORSVYSPVFQPV-OLZOCXBDSA-N 1 2 292.383 1.536 20 30 CDEDLO C#CCCCCCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000803514551 683862844 /nfs/dbraw/zinc/86/28/44/683862844.db2.gz HNQZQJJMMWTTRI-HZPDHXFCSA-N 1 2 292.423 1.892 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)c1cccc2[nH+]ccn21 ZINC000837082176 683869360 /nfs/dbraw/zinc/86/93/60/683869360.db2.gz MWFKIHQVOPDKEA-NSHDSACASA-N 1 2 259.309 1.391 20 30 CDEDLO C=C(Cl)C(C)(C)C(=O)N1CCOC2(C[NH+](CC)C2)C1 ZINC001053273399 683878155 /nfs/dbraw/zinc/87/81/55/683878155.db2.gz WCCNFJKIQMQUGR-UHFFFAOYSA-N 1 2 286.803 1.698 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(OC)c(F)c1 ZINC000884068339 683879150 /nfs/dbraw/zinc/87/91/50/683879150.db2.gz MWALAFZWRZEGDO-NSHDSACASA-N 1 2 296.298 1.219 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(C)c2)C1 ZINC000885513931 683892122 /nfs/dbraw/zinc/89/21/22/683892122.db2.gz KDSVNJVWWOURMP-CQSZACIVSA-N 1 2 292.404 1.371 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(C)c2)C1 ZINC000885513931 683892124 /nfs/dbraw/zinc/89/21/24/683892124.db2.gz KDSVNJVWWOURMP-CQSZACIVSA-N 1 2 292.404 1.371 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000874708517 683892425 /nfs/dbraw/zinc/89/24/25/683892425.db2.gz ORUBYRHLDUOWMW-CYBMUJFWSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000874708517 683892426 /nfs/dbraw/zinc/89/24/26/683892426.db2.gz ORUBYRHLDUOWMW-CYBMUJFWSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCCO[C@H]2C)C1 ZINC001031637972 683893580 /nfs/dbraw/zinc/89/35/80/683893580.db2.gz QLZIOCJPXKUUOB-AAEUAGOBSA-N 1 2 286.803 1.602 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001039063112 683923886 /nfs/dbraw/zinc/92/38/86/683923886.db2.gz IKMRYJVRFCRLPZ-JXQTWKCFSA-N 1 2 262.397 1.882 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001039063112 683923892 /nfs/dbraw/zinc/92/38/92/683923892.db2.gz IKMRYJVRFCRLPZ-JXQTWKCFSA-N 1 2 262.397 1.882 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc3cnccc3o2)C1 ZINC001043231135 683925228 /nfs/dbraw/zinc/92/52/28/683925228.db2.gz SUTQHTZHHLQEMR-UHFFFAOYSA-N 1 2 283.331 1.607 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(OC)c1F ZINC001038841237 683926604 /nfs/dbraw/zinc/92/66/04/683926604.db2.gz ZUGBBKAEYULKHO-NSHDSACASA-N 1 2 276.311 1.272 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(OC)c1F ZINC001038841237 683926609 /nfs/dbraw/zinc/92/66/09/683926609.db2.gz ZUGBBKAEYULKHO-NSHDSACASA-N 1 2 276.311 1.272 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC001030714140 683950359 /nfs/dbraw/zinc/95/03/59/683950359.db2.gz WAHOMFLTRDBMLL-CABCVRRESA-N 1 2 278.396 1.711 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)C[C@@H](C)CC ZINC000884167791 683950875 /nfs/dbraw/zinc/95/08/75/683950875.db2.gz OGQLNLFZGJRCCF-RYUDHWBXSA-N 1 2 270.373 1.328 20 30 CDEDLO Cc1ncccc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC001017424021 683952810 /nfs/dbraw/zinc/95/28/10/683952810.db2.gz YQHMMWCIXSBTKJ-WQVCFCJDSA-N 1 2 298.390 1.725 20 30 CDEDLO Cc1ncccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC001017424021 683952811 /nfs/dbraw/zinc/95/28/11/683952811.db2.gz YQHMMWCIXSBTKJ-WQVCFCJDSA-N 1 2 298.390 1.725 20 30 CDEDLO C=CCn1cccc1C(=O)N[C@H]1COC2(C[NH+](CC)C2)C1 ZINC001053829858 683953603 /nfs/dbraw/zinc/95/36/03/683953603.db2.gz LJNHTLMFSSHRNL-CYBMUJFWSA-N 1 2 289.379 1.267 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001015319820 683953769 /nfs/dbraw/zinc/95/37/69/683953769.db2.gz XPVHKILHQCJRMC-RFQIPJPRSA-N 1 2 298.814 1.745 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001015319820 683953774 /nfs/dbraw/zinc/95/37/74/683953774.db2.gz XPVHKILHQCJRMC-RFQIPJPRSA-N 1 2 298.814 1.745 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001008416902 683974700 /nfs/dbraw/zinc/97/47/00/683974700.db2.gz FUPAWKYORUZUBU-JTQLQIEISA-N 1 2 298.774 1.072 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001008416902 683974713 /nfs/dbraw/zinc/97/47/13/683974713.db2.gz FUPAWKYORUZUBU-JTQLQIEISA-N 1 2 298.774 1.072 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1C ZINC001032595786 683993986 /nfs/dbraw/zinc/99/39/86/683993986.db2.gz BWSQGZZDYLJCOG-KBPBESRZSA-N 1 2 269.348 1.312 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1C ZINC001032595786 683993990 /nfs/dbraw/zinc/99/39/90/683993990.db2.gz BWSQGZZDYLJCOG-KBPBESRZSA-N 1 2 269.348 1.312 20 30 CDEDLO CC(C)C[C@H](C(=O)N1CCO[C@@](C)(C#N)C1)n1cc[nH+]c1 ZINC000887690309 683996604 /nfs/dbraw/zinc/99/66/04/683996604.db2.gz JXMJYMBOPUKEAI-HIFRSBDPSA-N 1 2 290.367 1.611 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)co2)C1 ZINC001035479704 684005145 /nfs/dbraw/zinc/00/51/45/684005145.db2.gz CEZSHTYHBRZUBX-CYBMUJFWSA-N 1 2 278.352 1.595 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(C)co2)C1 ZINC001035479704 684005150 /nfs/dbraw/zinc/00/51/50/684005150.db2.gz CEZSHTYHBRZUBX-CYBMUJFWSA-N 1 2 278.352 1.595 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(=O)[nH]2)C1 ZINC001032975988 684021866 /nfs/dbraw/zinc/02/18/66/684021866.db2.gz PPHAZZLFGZVBTJ-NSHDSACASA-N 1 2 295.770 1.686 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(=O)[nH]2)C1 ZINC001032975988 684021867 /nfs/dbraw/zinc/02/18/67/684021867.db2.gz PPHAZZLFGZVBTJ-NSHDSACASA-N 1 2 295.770 1.686 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001010397840 684031823 /nfs/dbraw/zinc/03/18/23/684031823.db2.gz QERYSTDYNWZKDE-LBPRGKRZSA-N 1 2 262.357 1.407 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001010397840 684031827 /nfs/dbraw/zinc/03/18/27/684031827.db2.gz QERYSTDYNWZKDE-LBPRGKRZSA-N 1 2 262.357 1.407 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCCOC1 ZINC001018112434 684033542 /nfs/dbraw/zinc/03/35/42/684033542.db2.gz KHRQXBWPGQPCEV-HLLBOEOZSA-N 1 2 290.407 1.502 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCCOC1 ZINC001018112434 684033548 /nfs/dbraw/zinc/03/35/48/684033548.db2.gz KHRQXBWPGQPCEV-HLLBOEOZSA-N 1 2 290.407 1.502 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC([N@H+](C)Cc2nncs2)CC1 ZINC000985332002 684039277 /nfs/dbraw/zinc/03/92/77/684039277.db2.gz JOLMCVLNAPDUCP-SNVBAGLBSA-N 1 2 293.396 1.121 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC([N@@H+](C)Cc2nncs2)CC1 ZINC000985332002 684039281 /nfs/dbraw/zinc/03/92/81/684039281.db2.gz JOLMCVLNAPDUCP-SNVBAGLBSA-N 1 2 293.396 1.121 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(C)n3)[C@@H]2C1 ZINC001076568925 684060789 /nfs/dbraw/zinc/06/07/89/684060789.db2.gz CSIIDNAFIVWJQO-WCQYABFASA-N 1 2 294.786 1.319 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(C)n3)[C@@H]2C1 ZINC001076568925 684060792 /nfs/dbraw/zinc/06/07/92/684060792.db2.gz CSIIDNAFIVWJQO-WCQYABFASA-N 1 2 294.786 1.319 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc3ccccc3nn2)C1 ZINC001030769654 684074558 /nfs/dbraw/zinc/07/45/58/684074558.db2.gz QMYKHFFJPLSXHZ-UHFFFAOYSA-N 1 2 280.331 1.067 20 30 CDEDLO C#C[C@H]([NH2+]Cc1cn(CCC=C)nn1)[C@@H]1CCCO1 ZINC000846862579 684088306 /nfs/dbraw/zinc/08/83/06/684088306.db2.gz WGQOVRVEWQMWRN-KBPBESRZSA-N 1 2 260.341 1.125 20 30 CDEDLO Cc1nnc([C@H](C)O[NH+]=C(N)Cc2ccccc2)o1 ZINC000122206397 684091529 /nfs/dbraw/zinc/09/15/29/684091529.db2.gz JJXPQDJCFKJUCA-VIFPVBQESA-N 1 2 260.297 1.971 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C)n(C(F)F)n2)C1 ZINC001042804258 684091717 /nfs/dbraw/zinc/09/17/17/684091717.db2.gz JAKBIQIUZBXRIA-UHFFFAOYSA-N 1 2 296.321 1.366 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(F)c(F)c1F ZINC001038645828 684092139 /nfs/dbraw/zinc/09/21/39/684092139.db2.gz WSYPNNWZRPSQGR-SNVBAGLBSA-N 1 2 296.292 1.931 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(F)c(F)c1F ZINC001038645828 684092141 /nfs/dbraw/zinc/09/21/41/684092141.db2.gz WSYPNNWZRPSQGR-SNVBAGLBSA-N 1 2 296.292 1.931 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001038517966 684092447 /nfs/dbraw/zinc/09/24/47/684092447.db2.gz OMRUYSVWRVYODN-CQSZACIVSA-N 1 2 260.381 1.781 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001038517966 684092451 /nfs/dbraw/zinc/09/24/51/684092451.db2.gz OMRUYSVWRVYODN-CQSZACIVSA-N 1 2 260.381 1.781 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001075821395 684096795 /nfs/dbraw/zinc/09/67/95/684096795.db2.gz SCWBESYKTNCVMO-HBNTYKKESA-N 1 2 292.276 1.443 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001075821395 684096798 /nfs/dbraw/zinc/09/67/98/684096798.db2.gz SCWBESYKTNCVMO-HBNTYKKESA-N 1 2 292.276 1.443 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCCC[C@H]2OC)C1 ZINC001031466972 684106805 /nfs/dbraw/zinc/10/68/05/684106805.db2.gz XQTNWAFTZGMCQW-UONOGXRCSA-N 1 2 266.385 1.568 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001030410242 684133859 /nfs/dbraw/zinc/13/38/59/684133859.db2.gz DLLWRDDEZZSZIE-JTQLQIEISA-N 1 2 258.312 1.798 20 30 CDEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3ccccc3)CC2)C1 ZINC001045996909 684139553 /nfs/dbraw/zinc/13/95/53/684139553.db2.gz KFZRPVSKMXXJKS-INIZCTEOSA-N 1 2 298.390 1.042 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(C(N)=O)cc2)C1 ZINC001044283994 684147595 /nfs/dbraw/zinc/14/75/95/684147595.db2.gz BVWDBJRLHYVKPX-UHFFFAOYSA-N 1 2 287.363 1.118 20 30 CDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2ncc[nH]2)C1 ZINC001031658596 684153300 /nfs/dbraw/zinc/15/33/00/684153300.db2.gz NTRJMUYSHGXMTM-UHFFFAOYSA-N 1 2 295.346 1.143 20 30 CDEDLO C=C(Br)C[NH+]1CCC(NC(=O)C(F)F)CC1 ZINC001002198392 684193605 /nfs/dbraw/zinc/19/36/05/684193605.db2.gz JLSCJYGRNCJMDQ-UHFFFAOYSA-N 1 2 297.143 1.741 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](OC)C1CCC1 ZINC001032546546 684201577 /nfs/dbraw/zinc/20/15/77/684201577.db2.gz VPBHDMYZBRAEBG-KKUMJFAQSA-N 1 2 276.380 1.110 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](OC)C1CCC1 ZINC001032546546 684201579 /nfs/dbraw/zinc/20/15/79/684201579.db2.gz VPBHDMYZBRAEBG-KKUMJFAQSA-N 1 2 276.380 1.110 20 30 CDEDLO Cc1ccc(C#N)cc1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000934592146 684218218 /nfs/dbraw/zinc/21/82/18/684218218.db2.gz JPYFUQUUWCSKBM-HNNXBMFYSA-N 1 2 299.374 1.413 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccc(OC)n2)C1 ZINC001044129304 684247925 /nfs/dbraw/zinc/24/79/25/684247925.db2.gz MLJSUKFLHOXTGJ-UHFFFAOYSA-N 1 2 275.352 1.423 20 30 CDEDLO Cc1nnc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C#CC3CC3)C2)o1 ZINC000968614601 684291457 /nfs/dbraw/zinc/29/14/57/684291457.db2.gz YJLNXYFXYYOHBV-ZWNOBZJWSA-N 1 2 288.351 1.043 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2cnc(COC)s2)C1 ZINC001016414925 684295400 /nfs/dbraw/zinc/29/54/00/684295400.db2.gz PUZYCLPYWQPCDM-NSHDSACASA-N 1 2 293.392 1.117 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cnc(COC)s2)C1 ZINC001016414925 684295413 /nfs/dbraw/zinc/29/54/13/684295413.db2.gz PUZYCLPYWQPCDM-NSHDSACASA-N 1 2 293.392 1.117 20 30 CDEDLO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncs1 ZINC001032301577 684301282 /nfs/dbraw/zinc/30/12/82/684301282.db2.gz WIXOIEJINSVSEN-QWRGUYRKSA-N 1 2 261.350 1.065 20 30 CDEDLO C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncs1 ZINC001032301577 684301286 /nfs/dbraw/zinc/30/12/86/684301286.db2.gz WIXOIEJINSVSEN-QWRGUYRKSA-N 1 2 261.350 1.065 20 30 CDEDLO Cc1nc(N2CC[C@H](C)[C@@H](NC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001114021277 1162402476 /nfs/dbraw/zinc/40/24/76/1162402476.db2.gz KLPOHARYFSZWCK-WFASDCNBSA-N 1 2 298.390 1.529 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C#N ZINC001114064171 1162413662 /nfs/dbraw/zinc/41/36/62/1162413662.db2.gz NFSVKAYTZYXAAB-SNXWAXQRSA-N 1 2 298.184 1.101 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C#N ZINC001114064171 1162413664 /nfs/dbraw/zinc/41/36/64/1162413664.db2.gz NFSVKAYTZYXAAB-SNXWAXQRSA-N 1 2 298.184 1.101 20 30 CDEDLO C=CC[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)OC)C1)C(=O)OC ZINC001170516001 1162724676 /nfs/dbraw/zinc/72/46/76/1162724676.db2.gz DCOUHSQCSYQNGR-OUAUKWLOSA-N 1 2 255.314 1.035 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[NH+](CCOCC=C)CC2)cn1 ZINC001113557639 1162221176 /nfs/dbraw/zinc/22/11/76/1162221176.db2.gz GZGUDHMSRAAOIH-UHFFFAOYSA-N 1 2 299.374 1.023 20 30 CDEDLO N#Cc1nccc(N[C@H](Cn2cc[nH+]c2)c2ccccc2)n1 ZINC001640325942 1167014265 /nfs/dbraw/zinc/01/42/65/1167014265.db2.gz GIZSJEPYZOIORD-CQSZACIVSA-N 1 2 290.330 1.820 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCc3ccc(=O)[nH]c3CC2)c1 ZINC001232677152 1167389764 /nfs/dbraw/zinc/38/97/64/1167389764.db2.gz BLLBACBDTQJMQA-UHFFFAOYSA-N 1 2 295.342 1.965 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCc3ccc(=O)[nH]c3CC2)c1 ZINC001232677152 1167389769 /nfs/dbraw/zinc/38/97/69/1167389769.db2.gz BLLBACBDTQJMQA-UHFFFAOYSA-N 1 2 295.342 1.965 20 30 CDEDLO CCS(=O)(=O)C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001645801664 1167512439 /nfs/dbraw/zinc/51/24/39/1167512439.db2.gz QVNMVSDWPHDCCK-NWDGAFQWSA-N 1 2 270.398 1.578 20 30 CDEDLO C[NH+]1CCN(C2CCN(C(=O)CC(C)(C)C#N)CC2)CC1 ZINC001646097998 1167646505 /nfs/dbraw/zinc/64/65/05/1167646505.db2.gz PUNORFKGBQUXKI-UHFFFAOYSA-N 1 2 292.427 1.165 20 30 CDEDLO CC[C@H](C(=O)NC[C@H](C)C#N)[N@@H+]1CCO[C@H](CC)C1 ZINC001565775524 1168167359 /nfs/dbraw/zinc/16/73/59/1168167359.db2.gz CJQYGIWNOFPYDF-JHJVBQTASA-N 1 2 267.373 1.152 20 30 CDEDLO CC[C@H](C(=O)NC[C@H](C)C#N)[N@H+]1CCO[C@H](CC)C1 ZINC001565775524 1168167367 /nfs/dbraw/zinc/16/73/67/1168167367.db2.gz CJQYGIWNOFPYDF-JHJVBQTASA-N 1 2 267.373 1.152 20 30 CDEDLO C=CCCCC(=O)N1CC[C@H](CC[NH2+]Cc2c[nH]nn2)C1 ZINC001575087890 1171109976 /nfs/dbraw/zinc/10/99/76/1171109976.db2.gz PGFVGAJHKYWYDM-ZDUSSCGKSA-N 1 2 291.399 1.489 20 30 CDEDLO C=CCCCC(=O)N1CC[C@H](CC[NH2+]Cc2cn[nH]n2)C1 ZINC001575087890 1171109978 /nfs/dbraw/zinc/10/99/78/1171109978.db2.gz PGFVGAJHKYWYDM-ZDUSSCGKSA-N 1 2 291.399 1.489 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1cc(-c2nn[nH]n2)ccn1 ZINC001590420428 1173402508 /nfs/dbraw/zinc/40/25/08/1173402508.db2.gz XYQBQXSOPKNTSW-SNVBAGLBSA-N 1 2 257.301 1.044 20 30 CDEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)C2CC2)C1 ZINC001692392276 1175759462 /nfs/dbraw/zinc/75/94/62/1175759462.db2.gz OORGVTFIXGFSPV-JSGCOSHPSA-N 1 2 293.411 1.058 20 30 CDEDLO C=CCCC(=O)N[C@H]1CC[N@H+](CC(=O)N[C@@H](C)C2CC2)C1 ZINC001692392276 1175759465 /nfs/dbraw/zinc/75/94/65/1175759465.db2.gz OORGVTFIXGFSPV-JSGCOSHPSA-N 1 2 293.411 1.058 20 30 CDEDLO CC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1ccns1 ZINC001753079624 1182209806 /nfs/dbraw/zinc/20/98/06/1182209806.db2.gz SXTJFFSXYNGCBF-SNVBAGLBSA-N 1 2 266.370 1.241 20 30 CDEDLO CC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1ccns1 ZINC001753079624 1182209810 /nfs/dbraw/zinc/20/98/10/1182209810.db2.gz SXTJFFSXYNGCBF-SNVBAGLBSA-N 1 2 266.370 1.241 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CCc2ncccn2)C1 ZINC001754584055 1185674644 /nfs/dbraw/zinc/67/46/44/1185674644.db2.gz WPRIEFVHQIEKTR-UHFFFAOYSA-N 1 2 274.368 1.128 20 30 CDEDLO C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001754696258 1185708878 /nfs/dbraw/zinc/70/88/78/1185708878.db2.gz USPSAIAJITTXLG-ZYHUDNBSSA-N 1 2 294.292 1.738 20 30 CDEDLO C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001754696258 1185708882 /nfs/dbraw/zinc/70/88/82/1185708882.db2.gz USPSAIAJITTXLG-ZYHUDNBSSA-N 1 2 294.292 1.738 20 30 CDEDLO C=C(C)CCC(=O)NCC1(O)C[NH+](CC(=C)C)C1 ZINC001754768658 1185727251 /nfs/dbraw/zinc/72/72/51/1185727251.db2.gz WGOQISUUHSXUNY-UHFFFAOYSA-N 1 2 252.358 1.082 20 30 CDEDLO C#CCCCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nc(C)no1 ZINC001755235241 1185869170 /nfs/dbraw/zinc/86/91/70/1185869170.db2.gz ZYAGJHSMPNJCKO-MNOVXSKESA-N 1 2 278.356 1.164 20 30 CDEDLO CCc1noc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C#CC(C)C)n1 ZINC001755251225 1185877785 /nfs/dbraw/zinc/87/77/85/1185877785.db2.gz CTEXOTFROISIRJ-NWDGAFQWSA-N 1 2 292.383 1.274 20 30 CDEDLO COC(=O)N1CCC[N@H+](Cc2cc(C#N)cs2)CC1 ZINC001771639883 1186820337 /nfs/dbraw/zinc/82/03/37/1186820337.db2.gz SNCNPHWSUQGTCY-UHFFFAOYSA-N 1 2 279.365 1.894 20 30 CDEDLO COC(=O)N1CCC[N@@H+](Cc2cc(C#N)cs2)CC1 ZINC001771639883 1186820340 /nfs/dbraw/zinc/82/03/40/1186820340.db2.gz SNCNPHWSUQGTCY-UHFFFAOYSA-N 1 2 279.365 1.894 20 30 CDEDLO Cc1c[nH]c(CCNC(=O)Cc2ccc(F)c(C#N)c2)[nH+]1 ZINC001181196138 1164348584 /nfs/dbraw/zinc/34/85/84/1164348584.db2.gz WUWLYAWDLVHIAW-UHFFFAOYSA-N 1 2 286.310 1.630 20 30 CDEDLO C[C@H]1CC[N@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794625835 1164526923 /nfs/dbraw/zinc/52/69/23/1164526923.db2.gz BTTXMFCWQONVKU-VIFPVBQESA-N 1 2 251.359 1.316 20 30 CDEDLO C[C@H]1CC[N@@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794625835 1164526928 /nfs/dbraw/zinc/52/69/28/1164526928.db2.gz BTTXMFCWQONVKU-VIFPVBQESA-N 1 2 251.359 1.316 20 30 CDEDLO C=CCOC1CCC([NH2+][C@H](C(=O)OCC)[C@@H](C)O)CC1 ZINC001173312747 912407153 /nfs/dbraw/zinc/40/71/53/912407153.db2.gz LTUMGCYKQFANDG-RYSNWHEDSA-N 1 2 285.384 1.402 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+][C@H](C)CCCCC(=O)OC ZINC001173438301 912536345 /nfs/dbraw/zinc/53/63/45/912536345.db2.gz LQVADEUENGRQRU-MNOVXSKESA-N 1 2 291.413 1.559 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)c2csc(C#N)c2)[C@@H](C)CO1 ZINC001647303987 1168540704 /nfs/dbraw/zinc/54/07/04/1168540704.db2.gz KGOYBIKJSWOBIP-QWRGUYRKSA-N 1 2 293.392 1.459 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)c2csc(C#N)c2)[C@@H](C)CO1 ZINC001647303987 1168540718 /nfs/dbraw/zinc/54/07/18/1168540718.db2.gz KGOYBIKJSWOBIP-QWRGUYRKSA-N 1 2 293.392 1.459 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@H+](Cc3cn[nH]n3)CC2)C1=O ZINC001272567742 913455696 /nfs/dbraw/zinc/45/56/96/913455696.db2.gz AMLPJSVINNNIDY-OAHLLOKOSA-N 1 2 289.383 1.195 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@H+](Cc3cnn[nH]3)CC2)C1=O ZINC001272567742 913455646 /nfs/dbraw/zinc/45/56/46/913455646.db2.gz AMLPJSVINNNIDY-OAHLLOKOSA-N 1 2 289.383 1.195 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cnn[nH]3)CC2)C1=O ZINC001272567742 913455661 /nfs/dbraw/zinc/45/56/61/913455661.db2.gz AMLPJSVINNNIDY-OAHLLOKOSA-N 1 2 289.383 1.195 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@H+](Cc3c[nH]nn3)CC2)C1=O ZINC001272567742 913455674 /nfs/dbraw/zinc/45/56/74/913455674.db2.gz AMLPJSVINNNIDY-OAHLLOKOSA-N 1 2 289.383 1.195 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cn[nH]n3)CC2)C1=O ZINC001272567742 913455708 /nfs/dbraw/zinc/45/57/08/913455708.db2.gz AMLPJSVINNNIDY-OAHLLOKOSA-N 1 2 289.383 1.195 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@@H+](Cc3c[nH]nn3)CC2)C1=O ZINC001272567742 913455687 /nfs/dbraw/zinc/45/56/87/913455687.db2.gz AMLPJSVINNNIDY-OAHLLOKOSA-N 1 2 289.383 1.195 20 30 CDEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)C(F)F)C1 ZINC000970924430 895505796 /nfs/dbraw/zinc/50/57/96/895505796.db2.gz PHOPLLAKNKKKCP-MRVPVSSYSA-N 1 2 297.143 1.693 20 30 CDEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)C(F)F)C1 ZINC000970924430 895505803 /nfs/dbraw/zinc/50/58/03/895505803.db2.gz PHOPLLAKNKKKCP-MRVPVSSYSA-N 1 2 297.143 1.693 20 30 CDEDLO C[N@H+](CCNC(=O)Cc1ncc[nH]1)Cc1ccccc1C#N ZINC001480927321 897301942 /nfs/dbraw/zinc/30/19/42/897301942.db2.gz IGXFNIPVKRSXEB-UHFFFAOYSA-N 1 2 297.362 1.072 20 30 CDEDLO C[N@@H+](CCNC(=O)Cc1ncc[nH]1)Cc1ccccc1C#N ZINC001480927321 897301948 /nfs/dbraw/zinc/30/19/48/897301948.db2.gz IGXFNIPVKRSXEB-UHFFFAOYSA-N 1 2 297.362 1.072 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnn1C1CCC1 ZINC001038271045 897538128 /nfs/dbraw/zinc/53/81/28/897538128.db2.gz XGSCSSRCWPPDJH-CQSZACIVSA-N 1 2 286.379 1.436 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnn1C1CCC1 ZINC001038271045 897538135 /nfs/dbraw/zinc/53/81/35/897538135.db2.gz XGSCSSRCWPPDJH-CQSZACIVSA-N 1 2 286.379 1.436 20 30 CDEDLO N#Cc1ncn(-c2ccc[nH+]c2N2CCCC2)c1N ZINC001176749697 914243458 /nfs/dbraw/zinc/24/34/58/914243458.db2.gz GOFPVFWJZJPNDG-UHFFFAOYSA-N 1 2 254.297 1.321 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N(C)[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001104540138 898359628 /nfs/dbraw/zinc/35/96/28/898359628.db2.gz RBUIIRXCYCCEKF-XHDPSFHLSA-N 1 2 292.383 1.371 20 30 CDEDLO C#Cc1ccc(CNC(=O)CCn2cc[nH+]c2)cc1 ZINC001176883051 914334482 /nfs/dbraw/zinc/33/44/82/914334482.db2.gz BUGRWDDRBDBKLQ-UHFFFAOYSA-N 1 2 253.305 1.571 20 30 CDEDLO C#CCCCC(=O)NCC[NH2+]Cc1nn(C)cc1Cl ZINC001126338712 901750844 /nfs/dbraw/zinc/75/08/44/901750844.db2.gz GSOWJKQUVCBEAW-UHFFFAOYSA-N 1 2 282.775 1.083 20 30 CDEDLO C#CC1CCN(C(=O)CN(C)c2cccc[nH+]2)CC1 ZINC001177413053 914671061 /nfs/dbraw/zinc/67/10/61/914671061.db2.gz YLMWVXUQAFROOM-UHFFFAOYSA-N 1 2 257.337 1.390 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001268985085 903304235 /nfs/dbraw/zinc/30/42/35/903304235.db2.gz GQICCFJFIULPIH-UHFFFAOYSA-N 1 2 288.395 1.656 20 30 CDEDLO C=C(C)C(=O)OCCNc1cc[nH+]c(C(=O)OC)c1C ZINC001168073102 906676369 /nfs/dbraw/zinc/67/63/69/906676369.db2.gz CCXFLTARCSMSDA-UHFFFAOYSA-N 1 2 278.308 1.708 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cncnc2)[C@H]1C ZINC001088535703 907620134 /nfs/dbraw/zinc/62/01/34/907620134.db2.gz IOLXAIMPTKFZJK-PWSUYJOCSA-N 1 2 280.759 1.422 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cncnc2)[C@H]1C ZINC001088535703 907620143 /nfs/dbraw/zinc/62/01/43/907620143.db2.gz IOLXAIMPTKFZJK-PWSUYJOCSA-N 1 2 280.759 1.422 20 30 CDEDLO Cc1ccnc(C[NH2+]CCNC(=O)C#CC(C)(C)C)n1 ZINC001126893251 909590762 /nfs/dbraw/zinc/59/07/62/909590762.db2.gz IIILOXRLFCCRRR-UHFFFAOYSA-N 1 2 274.368 1.040 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccoc2C)[C@H](O)C1 ZINC001090055227 921515877 /nfs/dbraw/zinc/51/58/77/921515877.db2.gz PZYJLIGVHZQMGM-QWHCGFSZSA-N 1 2 298.770 1.506 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccoc2C)[C@H](O)C1 ZINC001090055227 921515887 /nfs/dbraw/zinc/51/58/87/921515887.db2.gz PZYJLIGVHZQMGM-QWHCGFSZSA-N 1 2 298.770 1.506 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@@H]1CCc2c(F)cccc2C1 ZINC001171420627 910068415 /nfs/dbraw/zinc/06/84/15/910068415.db2.gz CSNSUZYJUODLJO-OLZOCXBDSA-N 1 2 259.328 1.480 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(Cl)c2C)C1 ZINC001077037098 910156606 /nfs/dbraw/zinc/15/66/06/910156606.db2.gz XWAGDIPKPQGHGY-ZIAGYGMSSA-N 1 2 292.766 1.057 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(Cl)c2C)C1 ZINC001077037098 910156611 /nfs/dbraw/zinc/15/66/11/910156611.db2.gz XWAGDIPKPQGHGY-ZIAGYGMSSA-N 1 2 292.766 1.057 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001094194996 910396442 /nfs/dbraw/zinc/39/64/42/910396442.db2.gz QUWVQNRGBNEVQP-JSGCOSHPSA-N 1 2 290.367 1.294 20 30 CDEDLO C#CC[C@@H](C)OCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001224729402 910415232 /nfs/dbraw/zinc/41/52/32/910415232.db2.gz GMZGGPFBWZADQN-CQSZACIVSA-N 1 2 296.411 1.968 20 30 CDEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)C(C)(C)C)C2 ZINC001110414119 921615411 /nfs/dbraw/zinc/61/54/11/921615411.db2.gz LIXMPCOTMBLKAY-UPJWGTAASA-N 1 2 276.380 1.346 20 30 CDEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)C(C)(C)C)C2 ZINC001110414119 921615418 /nfs/dbraw/zinc/61/54/18/921615418.db2.gz LIXMPCOTMBLKAY-UPJWGTAASA-N 1 2 276.380 1.346 20 30 CDEDLO N#CCC[N@H+](Cc1cccnc1)[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172161021 911399374 /nfs/dbraw/zinc/39/93/74/911399374.db2.gz FYDSQOYPSORWKW-CVEARBPZSA-N 1 2 298.390 1.951 20 30 CDEDLO N#CCC[N@@H+](Cc1cccnc1)[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172161021 911399395 /nfs/dbraw/zinc/39/93/95/911399395.db2.gz FYDSQOYPSORWKW-CVEARBPZSA-N 1 2 298.390 1.951 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc(C3CC3)cn2)CC1 ZINC001177962535 915049537 /nfs/dbraw/zinc/04/95/37/915049537.db2.gz RJNCVDUPUOUCBM-UHFFFAOYSA-N 1 2 285.391 1.832 20 30 CDEDLO Cc1cc(N[C@@H](C)CNC(=O)C#CC2CC2)nc(C2CC2)[nH+]1 ZINC001097804584 936385103 /nfs/dbraw/zinc/38/51/03/936385103.db2.gz YVVJBSBSNPVSEY-LBPRGKRZSA-N 1 2 298.390 1.992 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2(c3ccccc3)COC2)CC1 ZINC001181555784 917154852 /nfs/dbraw/zinc/15/48/52/917154852.db2.gz FPYPNQQHPRIOBB-UHFFFAOYSA-N 1 2 286.375 1.285 20 30 CDEDLO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238199604 917922209 /nfs/dbraw/zinc/92/22/09/917922209.db2.gz WBGQPLUBJOWGHV-ZDUSSCGKSA-N 1 2 277.755 1.922 20 30 CDEDLO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238199604 917922216 /nfs/dbraw/zinc/92/22/16/917922216.db2.gz WBGQPLUBJOWGHV-ZDUSSCGKSA-N 1 2 277.755 1.922 20 30 CDEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)C(C)C)nn2)C1 ZINC001107215634 918272362 /nfs/dbraw/zinc/27/23/62/918272362.db2.gz JVAUQIJJPQQMJD-GFCCVEGCSA-N 1 2 291.399 1.229 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCC2CC2)C1 ZINC001107830232 918845399 /nfs/dbraw/zinc/84/53/99/918845399.db2.gz IDACIQLUWLXQQC-INIZCTEOSA-N 1 2 278.396 1.407 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CCC2CC2)C1 ZINC001107830232 918845410 /nfs/dbraw/zinc/84/54/10/918845410.db2.gz IDACIQLUWLXQQC-INIZCTEOSA-N 1 2 278.396 1.407 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2oc(C)cc2C)C1 ZINC001107853472 918891016 /nfs/dbraw/zinc/89/10/16/918891016.db2.gz PNFJUANHNBPBCL-INIZCTEOSA-N 1 2 292.379 1.903 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2oc(C)cc2C)C1 ZINC001107853472 918891029 /nfs/dbraw/zinc/89/10/29/918891029.db2.gz PNFJUANHNBPBCL-INIZCTEOSA-N 1 2 292.379 1.903 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CO[C@H](C)CC)C1 ZINC001107879039 918964214 /nfs/dbraw/zinc/96/42/14/918964214.db2.gz 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/nfs/dbraw/zinc/79/11/78/922791178.db2.gz BGEAXDUPUYPODV-QGZVFWFLSA-N 1 2 292.423 1.653 20 30 CDEDLO C=CCOCCCC(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001099997055 936830937 /nfs/dbraw/zinc/83/09/37/936830937.db2.gz XMPLURCFXXQHKW-UHFFFAOYSA-N 1 2 292.383 1.320 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCCn1cc[nH+]c1 ZINC000923164520 923589860 /nfs/dbraw/zinc/58/98/60/923589860.db2.gz FFNSXJMVMQSYJU-RYUDHWBXSA-N 1 2 250.298 1.408 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC2)C1 ZINC001079334678 924254652 /nfs/dbraw/zinc/25/46/52/924254652.db2.gz GNMIZZSBJBSLQF-LDYMZIIASA-N 1 2 287.201 1.742 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC2)C1 ZINC001079334678 924254663 /nfs/dbraw/zinc/25/46/63/924254663.db2.gz GNMIZZSBJBSLQF-LDYMZIIASA-N 1 2 287.201 1.742 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)n(C)n2)C1 ZINC001079469043 924327969 /nfs/dbraw/zinc/32/79/69/924327969.db2.gz UQYSHNAMGWZFII-NOZJJQNGSA-N 1 2 296.802 1.531 20 30 CDEDLO 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NMVHRKZCUIKIQK-CQSZACIVSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2n[nH]cc2c1 ZINC001085789665 926399834 /nfs/dbraw/zinc/39/98/34/926399834.db2.gz NMVHRKZCUIKIQK-CQSZACIVSA-N 1 2 282.347 1.342 20 30 CDEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2[C@@H](C)C(=O)OCC)C1=O ZINC001273912769 926419977 /nfs/dbraw/zinc/41/99/77/926419977.db2.gz GMMZSEVDDUCWQA-BBRMVZONSA-N 1 2 294.395 1.581 20 30 CDEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2[C@@H](C)C(=O)OCC)C1=O ZINC001273912769 926419982 /nfs/dbraw/zinc/41/99/82/926419982.db2.gz GMMZSEVDDUCWQA-BBRMVZONSA-N 1 2 294.395 1.581 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ncsc1C1CC1 ZINC001085817231 926425983 /nfs/dbraw/zinc/42/59/83/926425983.db2.gz SRNKKXUQOCXCJN-LBPRGKRZSA-N 1 2 289.404 1.800 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncsc1C1CC1 ZINC001085817231 926425989 /nfs/dbraw/zinc/42/59/89/926425989.db2.gz SRNKKXUQOCXCJN-LBPRGKRZSA-N 1 2 289.404 1.800 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)cc(F)c1 ZINC001085835162 926438461 /nfs/dbraw/zinc/43/84/61/926438461.db2.gz DLJBNZGBSMRBAV-HNNXBMFYSA-N 1 2 274.339 1.914 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)cc(F)c1 ZINC001085835162 926438463 /nfs/dbraw/zinc/43/84/63/926438463.db2.gz DLJBNZGBSMRBAV-HNNXBMFYSA-N 1 2 274.339 1.914 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1Cc2c(cccc2C)O1 ZINC001085927895 926512023 /nfs/dbraw/zinc/51/20/23/926512023.db2.gz JLYZUYKZALLQTN-PBHICJAKSA-N 1 2 298.386 1.464 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1Cc2c(cccc2C)O1 ZINC001085927895 926512033 /nfs/dbraw/zinc/51/20/33/926512033.db2.gz JLYZUYKZALLQTN-PBHICJAKSA-N 1 2 298.386 1.464 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2nc(C)oc2C)C1 ZINC001108300805 927357897 /nfs/dbraw/zinc/35/78/97/927357897.db2.gz ICASXFOJVMPSDZ-HNNXBMFYSA-N 1 2 293.367 1.298 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2nc(C)oc2C)C1 ZINC001108300805 927357904 /nfs/dbraw/zinc/35/79/04/927357904.db2.gz ICASXFOJVMPSDZ-HNNXBMFYSA-N 1 2 293.367 1.298 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C2CC2)C2CC2)C1 ZINC001108330634 927397498 /nfs/dbraw/zinc/39/74/98/927397498.db2.gz DSLZEUHRJYXFJS-KRWDZBQOSA-N 1 2 292.423 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C2CC2)C2CC2)C1 ZINC001108330634 927397508 /nfs/dbraw/zinc/39/75/08/927397508.db2.gz DSLZEUHRJYXFJS-KRWDZBQOSA-N 1 2 292.423 1.816 20 30 CDEDLO Cc1nc(NC[C@H](C)CNC(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001103954366 937181079 /nfs/dbraw/zinc/18/10/79/937181079.db2.gz FTLLVIAIBPBRMC-JTQLQIEISA-N 1 2 298.350 1.463 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Nc2cc(F)cc(CC#N)c2)C[NH2+]1 ZINC001169136660 927751839 /nfs/dbraw/zinc/75/18/39/927751839.db2.gz NVGMJYMAFOGBII-OLZOCXBDSA-N 1 2 277.299 1.207 20 30 CDEDLO Cc1nc(NCCCN(C)C(=O)[C@H](C)C#N)cc[nH+]1 ZINC001109392489 928913561 /nfs/dbraw/zinc/91/35/61/928913561.db2.gz JTGRMKKASSHKNQ-SNVBAGLBSA-N 1 2 261.329 1.205 20 30 CDEDLO C#CCOCC[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000784079225 937291336 /nfs/dbraw/zinc/29/13/36/937291336.db2.gz JRHPJPKDYXEUKC-CYBMUJFWSA-N 1 2 285.347 1.961 20 30 CDEDLO CC[N@H+](Cc1nc(C)c(C)o1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152449686 937363233 /nfs/dbraw/zinc/36/32/33/937363233.db2.gz HTAPFLJJPMWSGF-GHMZBOCLSA-N 1 2 292.383 1.778 20 30 CDEDLO CC[N@@H+](Cc1nc(C)c(C)o1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152449686 937363235 /nfs/dbraw/zinc/36/32/35/937363235.db2.gz HTAPFLJJPMWSGF-GHMZBOCLSA-N 1 2 292.383 1.778 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@@H]1CCc2cccc(F)c2C1 ZINC001170986927 931158618 /nfs/dbraw/zinc/15/86/18/931158618.db2.gz XUVLCROLRPPELX-CHWSQXEVSA-N 1 2 259.328 1.480 20 30 CDEDLO C=CCC[C@H](O)C[NH+]1CC2(C1)CN(CCCC)C(=O)CO2 ZINC001274621362 931523792 /nfs/dbraw/zinc/52/37/92/931523792.db2.gz SDQPUWOGROWCPA-AWEZNQCLSA-N 1 2 296.411 1.027 20 30 CDEDLO C#CC(=O)Nc1ccc(OC)nc1-n1cc[nH+]c1CC ZINC001143907256 931580815 /nfs/dbraw/zinc/58/08/15/931580815.db2.gz NLRAECPEGKQOQR-UHFFFAOYSA-N 1 2 270.292 1.410 20 30 CDEDLO C#CC1CCN(C(=O)c2nc3c(s2)C[N@H+](C)CC3)CC1 ZINC001154218257 937518561 /nfs/dbraw/zinc/51/85/61/937518561.db2.gz GWNNGPDJVKCFSJ-UHFFFAOYSA-N 1 2 289.404 1.616 20 30 CDEDLO C#CC1CCN(C(=O)c2nc3c(s2)C[N@@H+](C)CC3)CC1 ZINC001154218257 937518562 /nfs/dbraw/zinc/51/85/62/937518562.db2.gz GWNNGPDJVKCFSJ-UHFFFAOYSA-N 1 2 289.404 1.616 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](O)c2ccccc2C)CC1 ZINC001144526934 931883984 /nfs/dbraw/zinc/88/39/84/931883984.db2.gz LJFQKIZGAUXEGH-HNNXBMFYSA-N 1 2 274.364 1.359 20 30 CDEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCn2ncnc2C1 ZINC001171203996 931944434 /nfs/dbraw/zinc/94/44/34/931944434.db2.gz RASCLEOWQYPXOI-GFCCVEGCSA-N 1 2 267.336 1.597 20 30 CDEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCn2ncnc2C1 ZINC001171203996 931944442 /nfs/dbraw/zinc/94/44/42/931944442.db2.gz RASCLEOWQYPXOI-GFCCVEGCSA-N 1 2 267.336 1.597 20 30 CDEDLO O=C(/C=C/C(=O)N1CCc2[nH+]ccn2CC1)c1ccccc1 ZINC001144707877 931979138 /nfs/dbraw/zinc/97/91/38/931979138.db2.gz LEYXJOHESUQGKP-VOTSOKGWSA-N 1 2 295.342 1.707 20 30 CDEDLO Cn1cncc1C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001204383707 937609121 /nfs/dbraw/zinc/60/91/21/937609121.db2.gz MQYOMKFESDRJLL-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO Cn1cncc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001204383707 937609125 /nfs/dbraw/zinc/60/91/25/937609125.db2.gz MQYOMKFESDRJLL-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccco1)c1nccn12 ZINC001092344618 932936121 /nfs/dbraw/zinc/93/61/21/932936121.db2.gz IVGKZYBNKFGBRG-GFCCVEGCSA-N 1 2 298.346 1.548 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nnc(C)o3)C[C@H]21 ZINC001114671414 934904382 /nfs/dbraw/zinc/90/43/82/934904382.db2.gz FUNJGWGKIMGUAB-PJXYFTJBSA-N 1 2 290.367 1.137 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nnc(C)o3)C[C@H]21 ZINC001114671414 934904386 /nfs/dbraw/zinc/90/43/86/934904386.db2.gz FUNJGWGKIMGUAB-PJXYFTJBSA-N 1 2 290.367 1.137 20 30 CDEDLO C=CCN1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001007645141 935388591 /nfs/dbraw/zinc/38/85/91/935388591.db2.gz LRESCBGBGMTFGM-KBPBESRZSA-N 1 2 265.401 1.237 20 30 CDEDLO C=CCN1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001007645141 935388597 /nfs/dbraw/zinc/38/85/97/935388597.db2.gz LRESCBGBGMTFGM-KBPBESRZSA-N 1 2 265.401 1.237 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2onc(C)c2c1 ZINC001038571676 935748899 /nfs/dbraw/zinc/74/88/99/935748899.db2.gz IJIVQWMAHNTMJS-CYBMUJFWSA-N 1 2 298.346 1.359 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2onc(C)c2c1 ZINC001038571676 935748900 /nfs/dbraw/zinc/74/89/00/935748900.db2.gz IJIVQWMAHNTMJS-CYBMUJFWSA-N 1 2 298.346 1.359 20 30 CDEDLO C#CCN(C)c1nnc(Cc2[nH+]ccn2C)n1CC(C)C ZINC001122747570 936062485 /nfs/dbraw/zinc/06/24/85/936062485.db2.gz UARBSAUQXIWKOJ-UHFFFAOYSA-N 1 2 286.383 1.328 20 30 CDEDLO C=CCO[C@H](C)C(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096392985 936062580 /nfs/dbraw/zinc/06/25/80/936062580.db2.gz DVCMDDQBHOHJRU-YPMHNXCESA-N 1 2 290.367 1.071 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122436573 937931950 /nfs/dbraw/zinc/93/19/50/937931950.db2.gz GIZAVEMZVDJMLM-AAEUAGOBSA-N 1 2 292.383 1.276 20 30 CDEDLO COc1cc(C[NH+]2CCN(C3COC3)CC2)ccc1C#N ZINC001238412570 945172855 /nfs/dbraw/zinc/17/28/55/945172855.db2.gz IFWGIPCCTMSUSH-UHFFFAOYSA-N 1 2 287.363 1.083 20 30 CDEDLO Nc1[nH]c2cc(C(=O)NC=CC(=O)C(F)(F)F)ccc2[nH+]1 ZINC001156978938 938442374 /nfs/dbraw/zinc/44/23/74/938442374.db2.gz DZXKOVQFHHNESS-ONEGZZNKSA-N 1 2 298.224 1.520 20 30 CDEDLO CC(C)C#CC(=O)NCCC[NH2+]Cc1noc(C(C)C)n1 ZINC001157632575 938524244 /nfs/dbraw/zinc/52/42/44/938524244.db2.gz GDNIWQKGVOGFJA-UHFFFAOYSA-N 1 2 292.383 1.448 20 30 CDEDLO N#Cc1cnc(NCC2([NH+]3CCCC3)COC2)c(C#N)c1 ZINC001157654821 938527374 /nfs/dbraw/zinc/52/73/74/938527374.db2.gz JUZJXGFXJKNXAK-UHFFFAOYSA-N 1 2 283.335 1.102 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(NC[C@@H]3CNC(=O)CO3)c2c1 ZINC001158390135 938617488 /nfs/dbraw/zinc/61/74/88/938617488.db2.gz XRZHHQQXOVGGDL-LBPRGKRZSA-N 1 2 282.303 1.033 20 30 CDEDLO Cc1nc(N2CC([NH+]3C[C@@H](C)O[C@H](C)C3)C2)ccc1C#N ZINC001158718248 938656496 /nfs/dbraw/zinc/65/64/96/938656496.db2.gz RKVHHPMPJBYAGQ-VXGBXAGGSA-N 1 2 286.379 1.560 20 30 CDEDLO C=C[C@@H](CO)Nc1cc(-c2cc3c([nH]2)CCNC3=O)cc[nH+]1 ZINC001158814861 938665723 /nfs/dbraw/zinc/66/57/23/938665723.db2.gz QTWVQIYXPWLWRG-NSHDSACASA-N 1 2 298.346 1.321 20 30 CDEDLO N#Cc1cnc(N[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c(C#N)c1 ZINC001160725167 938820814 /nfs/dbraw/zinc/82/08/14/938820814.db2.gz SKJAVEITXFNISH-CABCVRRESA-N 1 2 297.362 1.490 20 30 CDEDLO N#Cc1c[nH]c2nc(NC3CN(c4cccc[nH+]4)C3)ncc12 ZINC001161322832 938888690 /nfs/dbraw/zinc/88/86/90/938888690.db2.gz QZVFIRQLDUSXFI-UHFFFAOYSA-N 1 2 291.318 1.525 20 30 CDEDLO N#CCOc1ccc(NCCCn2cc[nH+]c2)nc1 ZINC001161681812 938920071 /nfs/dbraw/zinc/92/00/71/938920071.db2.gz AFDATVFPAHVBDJ-UHFFFAOYSA-N 1 2 257.297 1.683 20 30 CDEDLO CCc1cc(C[N@@H+]2CCN3C(=O)COC[C@@H]3C2)ccc1C#N ZINC001238767979 945244968 /nfs/dbraw/zinc/24/49/68/945244968.db2.gz DTOVKAUOAIJNJX-INIZCTEOSA-N 1 2 299.374 1.164 20 30 CDEDLO CCc1cc(C[N@H+]2CCN3C(=O)COC[C@@H]3C2)ccc1C#N ZINC001238767979 945244976 /nfs/dbraw/zinc/24/49/76/945244976.db2.gz DTOVKAUOAIJNJX-INIZCTEOSA-N 1 2 299.374 1.164 20 30 CDEDLO CN(C)c1cc(N2CCc3cc(C#N)ccc3C2)nc[nH+]1 ZINC001164477545 939477530 /nfs/dbraw/zinc/47/75/30/939477530.db2.gz HUFAKBPARGLUBA-UHFFFAOYSA-N 1 2 279.347 1.977 20 30 CDEDLO CN(C)c1cc(N2CCc3cc(C#N)ccc3C2)[nH+]cn1 ZINC001164477545 939477531 /nfs/dbraw/zinc/47/75/31/939477531.db2.gz HUFAKBPARGLUBA-UHFFFAOYSA-N 1 2 279.347 1.977 20 30 CDEDLO N#CN=C(Nc1ccn2cc(N)[nH+]c2c1)c1ccncc1 ZINC001164510217 939481186 /nfs/dbraw/zinc/48/11/86/939481186.db2.gz KACJZAWPLVCNEE-UHFFFAOYSA-N 1 2 277.291 1.460 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1c1ccc2cc(F)ccc2n1 ZINC001164641906 939501273 /nfs/dbraw/zinc/50/12/73/939501273.db2.gz PNWBPIUJZUEWDQ-GFCCVEGCSA-N 1 2 256.284 1.676 20 30 CDEDLO COc1cc(Cl)nc(N2CC[NH2+]C[C@H]2C#N)c1 ZINC001164641366 939501318 /nfs/dbraw/zinc/50/13/18/939501318.db2.gz KLPPMJZNXQGWHV-MRVPVSSYSA-N 1 2 252.705 1.045 20 30 CDEDLO Cc1cnc(N2CC[NH2+]C[C@H]2C#N)c(C#C[Si](C)(C)C)c1 ZINC001164651422 939501974 /nfs/dbraw/zinc/50/19/74/939501974.db2.gz GRRVBZRCRBBNIC-OAHLLOKOSA-N 1 2 298.466 1.921 20 30 CDEDLO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cnn[nH]1)CC2 ZINC001203201889 939677203 /nfs/dbraw/zinc/67/72/03/939677203.db2.gz RUHLCXLYKQRXJS-HNNXBMFYSA-N 1 2 289.383 1.338 20 30 CDEDLO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cnn[nH]1)CC2 ZINC001203201889 939677204 /nfs/dbraw/zinc/67/72/04/939677204.db2.gz RUHLCXLYKQRXJS-HNNXBMFYSA-N 1 2 289.383 1.338 20 30 CDEDLO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1c[nH]nn1)CC2 ZINC001203201889 939677205 /nfs/dbraw/zinc/67/72/05/939677205.db2.gz RUHLCXLYKQRXJS-HNNXBMFYSA-N 1 2 289.383 1.338 20 30 CDEDLO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c[nH]nn1)CC2 ZINC001203201889 939677207 /nfs/dbraw/zinc/67/72/07/939677207.db2.gz RUHLCXLYKQRXJS-HNNXBMFYSA-N 1 2 289.383 1.338 20 30 CDEDLO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cn[nH]n1)CC2 ZINC001203201889 939677208 /nfs/dbraw/zinc/67/72/08/939677208.db2.gz RUHLCXLYKQRXJS-HNNXBMFYSA-N 1 2 289.383 1.338 20 30 CDEDLO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cn[nH]n1)CC2 ZINC001203201889 939677209 /nfs/dbraw/zinc/67/72/09/939677209.db2.gz RUHLCXLYKQRXJS-HNNXBMFYSA-N 1 2 289.383 1.338 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(OCC)c(OC)c2)CC1 ZINC001204361638 939760162 /nfs/dbraw/zinc/76/01/62/939760162.db2.gz GXICXVLQSABBSJ-UHFFFAOYSA-N 1 2 288.391 1.845 20 30 CDEDLO C#CCN1CC[NH+](Cc2ccc(OCC)c(OC)c2)CC1 ZINC001204361638 939760166 /nfs/dbraw/zinc/76/01/66/939760166.db2.gz GXICXVLQSABBSJ-UHFFFAOYSA-N 1 2 288.391 1.845 20 30 CDEDLO Cc1cccnc1C[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001205799611 939937850 /nfs/dbraw/zinc/93/78/50/939937850.db2.gz CPHUDVHBYUWPLI-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)CC2CCCC2)[C@@H](O)C1 ZINC001220471822 941449516 /nfs/dbraw/zinc/44/95/16/941449516.db2.gz CJQQLEQXDVJAIX-XHSDSOJGSA-N 1 2 292.423 1.387 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)CC2CCCC2)[C@@H](O)C1 ZINC001220471822 941449517 /nfs/dbraw/zinc/44/95/17/941449517.db2.gz CJQQLEQXDVJAIX-XHSDSOJGSA-N 1 2 292.423 1.387 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)COC(C)C)[C@@H]2C1 ZINC001221403881 941530977 /nfs/dbraw/zinc/53/09/77/941530977.db2.gz PQXCEBCBZWOZRX-CHWSQXEVSA-N 1 2 286.803 1.697 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)COC(C)C)[C@@H]2C1 ZINC001221403881 941530979 /nfs/dbraw/zinc/53/09/79/941530979.db2.gz PQXCEBCBZWOZRX-CHWSQXEVSA-N 1 2 286.803 1.697 20 30 CDEDLO C#CCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](CC(=C)Cl)C[C@H]21 ZINC001221539156 941542573 /nfs/dbraw/zinc/54/25/73/941542573.db2.gz OPULGWALHMNVQB-MGPQQGTHSA-N 1 2 296.798 1.310 20 30 CDEDLO C#CCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC(=C)Cl)C[C@H]21 ZINC001221539156 941542575 /nfs/dbraw/zinc/54/25/75/941542575.db2.gz OPULGWALHMNVQB-MGPQQGTHSA-N 1 2 296.798 1.310 20 30 CDEDLO C=CCn1cc(-c2ccc(C[NH+]3CCOCC3)cn2)cn1 ZINC001222368138 941586929 /nfs/dbraw/zinc/58/69/29/941586929.db2.gz SELZDMFHUDPMEW-UHFFFAOYSA-N 1 2 284.363 1.963 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc(C4CC4)ccc3C#N)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226262089 941978429 /nfs/dbraw/zinc/97/84/29/941978429.db2.gz DRMXTPKQYBLIBQ-KNMAVKMESA-N 1 2 297.358 1.822 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc(C4CC4)ccc3C#N)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226262089 941978431 /nfs/dbraw/zinc/97/84/31/941978431.db2.gz DRMXTPKQYBLIBQ-KNMAVKMESA-N 1 2 297.358 1.822 20 30 CDEDLO C[C@H](C#N)C(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC001226647881 942041551 /nfs/dbraw/zinc/04/15/51/942041551.db2.gz DWYWZHWRVIJQEA-SNVBAGLBSA-N 1 2 278.381 1.383 20 30 CDEDLO COc1ccc(C#N)c(O[C@H](C)C[NH+]2CCOCC2)c1 ZINC001226791382 942072254 /nfs/dbraw/zinc/07/22/54/942072254.db2.gz OHCRYXQZHMFSTJ-GFCCVEGCSA-N 1 2 276.336 1.666 20 30 CDEDLO CC(=O)c1cc(C#N)ccc1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@@H+]2C ZINC001226975798 942105072 /nfs/dbraw/zinc/10/50/72/942105072.db2.gz UQCNRFOXBJIHJX-XGWLTEMNSA-N 1 2 298.342 1.944 20 30 CDEDLO CC(=O)c1cc(C#N)ccc1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001226975798 942105076 /nfs/dbraw/zinc/10/50/76/942105076.db2.gz UQCNRFOXBJIHJX-XGWLTEMNSA-N 1 2 298.342 1.944 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2ccc(=O)[nH]n2)C1 ZINC001227093883 942130316 /nfs/dbraw/zinc/13/03/16/942130316.db2.gz VWXCWLLPQJURBG-CQSZACIVSA-N 1 2 296.330 1.707 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccc(=O)[nH]n2)C1 ZINC001227093883 942130318 /nfs/dbraw/zinc/13/03/18/942130318.db2.gz VWXCWLLPQJURBG-CQSZACIVSA-N 1 2 296.330 1.707 20 30 CDEDLO Cc1n[nH]cc1C[N@@H+]1CC[C@H]2C[C@]21C(=O)NC1(C#N)CCC1 ZINC001277231784 942202607 /nfs/dbraw/zinc/20/26/07/942202607.db2.gz YWHRZHUCIOTAFI-XJKSGUPXSA-N 1 2 299.378 1.245 20 30 CDEDLO Cc1n[nH]cc1C[N@H+]1CC[C@H]2C[C@]21C(=O)NC1(C#N)CCC1 ZINC001277231784 942202611 /nfs/dbraw/zinc/20/26/11/942202611.db2.gz YWHRZHUCIOTAFI-XJKSGUPXSA-N 1 2 299.378 1.245 20 30 CDEDLO C#Cc1cnc2nc(OC3C[NH+](C)C3)n(C(CC)CC)c2n1 ZINC001229760455 942528343 /nfs/dbraw/zinc/52/83/43/942528343.db2.gz NCSKEHFENQVNHW-UHFFFAOYSA-N 1 2 299.378 1.862 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC(C)(C)C ZINC001230782360 942694794 /nfs/dbraw/zinc/69/47/94/942694794.db2.gz VJXMASMAQICYEP-CYBMUJFWSA-N 1 2 295.427 1.258 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(C)(C)C ZINC001230782360 942694795 /nfs/dbraw/zinc/69/47/95/942694795.db2.gz VJXMASMAQICYEP-CYBMUJFWSA-N 1 2 295.427 1.258 20 30 CDEDLO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232677205 943358626 /nfs/dbraw/zinc/35/86/26/943358626.db2.gz CGOGVIORGGHEGA-AWEZNQCLSA-N 1 2 260.337 1.999 20 30 CDEDLO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232677205 943358632 /nfs/dbraw/zinc/35/86/32/943358632.db2.gz CGOGVIORGGHEGA-AWEZNQCLSA-N 1 2 260.337 1.999 20 30 CDEDLO CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1[nH]ccc1C#N ZINC001233045098 943473507 /nfs/dbraw/zinc/47/35/07/943473507.db2.gz SHKGBTXZMFFSBJ-CHWSQXEVSA-N 1 2 258.325 1.081 20 30 CDEDLO CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1[nH]ccc1C#N ZINC001233045098 943473509 /nfs/dbraw/zinc/47/35/09/943473509.db2.gz SHKGBTXZMFFSBJ-CHWSQXEVSA-N 1 2 258.325 1.081 20 30 CDEDLO N#Cc1cc[nH]c1C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC001233046431 943474873 /nfs/dbraw/zinc/47/48/73/943474873.db2.gz WJPWGFBIVLMWEW-UHFFFAOYSA-N 1 2 281.363 1.994 20 30 CDEDLO N#Cc1cc[nH]c1C[N@H+]1CCCN(c2ccccn2)CC1 ZINC001233046431 943474875 /nfs/dbraw/zinc/47/48/75/943474875.db2.gz WJPWGFBIVLMWEW-UHFFFAOYSA-N 1 2 281.363 1.994 20 30 CDEDLO N#Cc1cc[nH]c1C[NH+]1CCC(n2ccnc2)CC1 ZINC001233047779 943474880 /nfs/dbraw/zinc/47/48/80/943474880.db2.gz KQXZTHFRMBKKPV-UHFFFAOYSA-N 1 2 255.325 1.920 20 30 CDEDLO N#C[C@H]1CC[N@@H+](Cc2ccc(O)c3[nH]c(=O)ccc23)C1 ZINC001233294500 943533904 /nfs/dbraw/zinc/53/39/04/943533904.db2.gz NRPBMPROZKIDLN-SNVBAGLBSA-N 1 2 269.304 1.991 20 30 CDEDLO N#C[C@H]1CC[N@H+](Cc2ccc(O)c3[nH]c(=O)ccc23)C1 ZINC001233294500 943533908 /nfs/dbraw/zinc/53/39/08/943533908.db2.gz NRPBMPROZKIDLN-SNVBAGLBSA-N 1 2 269.304 1.991 20 30 CDEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1C ZINC001233492443 943601275 /nfs/dbraw/zinc/60/12/75/943601275.db2.gz WTJARBWVMOTTCH-MWLCHTKSSA-N 1 2 289.217 1.989 20 30 CDEDLO C=C(Br)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1C ZINC001233492443 943601276 /nfs/dbraw/zinc/60/12/76/943601276.db2.gz WTJARBWVMOTTCH-MWLCHTKSSA-N 1 2 289.217 1.989 20 30 CDEDLO C#Cc1ccc(N2CC[NH+](Cc3cc(C)no3)CC2)nc1 ZINC001262677287 943665602 /nfs/dbraw/zinc/66/56/02/943665602.db2.gz JUUOWXAOMFWEHS-UHFFFAOYSA-N 1 2 282.347 1.682 20 30 CDEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1Nc1ccn(C)n1 ZINC001262991039 943721757 /nfs/dbraw/zinc/72/17/57/943721757.db2.gz XDSDXJPQVWCOCS-UHFFFAOYSA-N 1 2 298.354 1.266 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@]1(C)CC=CCC1 ZINC001234517965 943874197 /nfs/dbraw/zinc/87/41/97/943874197.db2.gz RTCSPRRHALUUDN-GOEBONIOSA-N 1 2 260.381 1.899 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@]1(C)CC=CCC1 ZINC001234517965 943874210 /nfs/dbraw/zinc/87/42/10/943874210.db2.gz RTCSPRRHALUUDN-GOEBONIOSA-N 1 2 260.381 1.899 20 30 CDEDLO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@H+]2CCCC#N ZINC001277945065 944154975 /nfs/dbraw/zinc/15/49/75/944154975.db2.gz LBJKPAWFYKMKFA-TXEJJXNPSA-N 1 2 250.346 1.167 20 30 CDEDLO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+]2CCCC#N ZINC001277945065 944154980 /nfs/dbraw/zinc/15/49/80/944154980.db2.gz LBJKPAWFYKMKFA-TXEJJXNPSA-N 1 2 250.346 1.167 20 30 CDEDLO N#Cc1cccc(F)c1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001237599630 944870594 /nfs/dbraw/zinc/87/05/94/944870594.db2.gz SXAPGRODCVLFEP-UHFFFAOYSA-N 1 2 297.355 1.439 20 30 CDEDLO N#Cc1ccc2nc(C[N@@H+]3CC[C@]34CCOC4)cn2c1 ZINC001237616824 944889643 /nfs/dbraw/zinc/88/96/43/944889643.db2.gz HNPTXLCEHBTXHV-OAHLLOKOSA-N 1 2 268.320 1.571 20 30 CDEDLO N#Cc1ccc2nc(C[N@H+]3CC[C@]34CCOC4)cn2c1 ZINC001237616824 944889648 /nfs/dbraw/zinc/88/96/48/944889648.db2.gz HNPTXLCEHBTXHV-OAHLLOKOSA-N 1 2 268.320 1.571 20 30 CDEDLO C=CCS(=O)(=O)Nc1cccc2[nH+]c(C)cn21 ZINC001259921213 945704428 /nfs/dbraw/zinc/70/44/28/945704428.db2.gz DKCXROPSFVDSKZ-UHFFFAOYSA-N 1 2 251.311 1.570 20 30 CDEDLO N#Cc1cncnc1-c1ccccc1C[NH+]1CCOCC1 ZINC001241983794 946548236 /nfs/dbraw/zinc/54/82/36/946548236.db2.gz GZAOCENHZKQOSM-UHFFFAOYSA-N 1 2 280.331 1.847 20 30 CDEDLO C[C@@H]1CC(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)=NO1 ZINC001362461640 971300160 /nfs/dbraw/zinc/30/01/60/971300160.db2.gz FEWLZRAGNDKUFJ-GFCCVEGCSA-N 1 2 298.346 1.712 20 30 CDEDLO COC(=O)c1ccc(C#N)cc1-c1ccc[nH+]c1N ZINC001243477046 947128637 /nfs/dbraw/zinc/12/86/37/947128637.db2.gz HMTVUHZPHRHEMN-UHFFFAOYSA-N 1 2 253.261 1.989 20 30 CDEDLO CCOC(=O)CC[N@H+](CC(=O)OCC)[C@@H]1CC[C@H](C#N)C1 ZINC001254669843 947584366 /nfs/dbraw/zinc/58/43/66/947584366.db2.gz WCLGTYQCIZLBMG-QWHCGFSZSA-N 1 2 296.367 1.497 20 30 CDEDLO CCOC(=O)CC[N@@H+](CC(=O)OCC)[C@@H]1CC[C@H](C#N)C1 ZINC001254669843 947584374 /nfs/dbraw/zinc/58/43/74/947584374.db2.gz WCLGTYQCIZLBMG-QWHCGFSZSA-N 1 2 296.367 1.497 20 30 CDEDLO CC[C@@H](C(=O)NCC1(C#N)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001362584662 971429054 /nfs/dbraw/zinc/42/90/54/971429054.db2.gz RIHKPINRBUIXSY-OLZOCXBDSA-N 1 2 279.384 1.296 20 30 CDEDLO CC[C@@H](C(=O)NCC1(C#N)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001362584662 971429056 /nfs/dbraw/zinc/42/90/56/971429056.db2.gz RIHKPINRBUIXSY-OLZOCXBDSA-N 1 2 279.384 1.296 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@@H](Oc2nccc(OC)n2)C1 ZINC001255177121 947766041 /nfs/dbraw/zinc/76/60/41/947766041.db2.gz MOARNLYWOOWKJY-NWDGAFQWSA-N 1 2 276.340 1.631 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CC[C@@H](Oc2nccc(OC)n2)C1 ZINC001255177121 947766048 /nfs/dbraw/zinc/76/60/48/947766048.db2.gz MOARNLYWOOWKJY-NWDGAFQWSA-N 1 2 276.340 1.631 20 30 CDEDLO CCOC(=O)[C@@H]([NH3+])Cc1cn(C2CCC(C#N)CC2)cn1 ZINC001256964917 948464736 /nfs/dbraw/zinc/46/47/36/948464736.db2.gz HHZFWEYLFHQFJD-UBHUBRDASA-N 1 2 290.367 1.571 20 30 CDEDLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cnn2ccc(C#N)cc12 ZINC001249125621 949406847 /nfs/dbraw/zinc/40/68/47/949406847.db2.gz YKZGTTKZELLFQU-AWEZNQCLSA-N 1 2 268.320 1.759 20 30 CDEDLO CC(=O)[C@@H]1CCC[N@H+]1Cc1cnn2ccc(C#N)cc12 ZINC001249125621 949406865 /nfs/dbraw/zinc/40/68/65/949406865.db2.gz YKZGTTKZELLFQU-AWEZNQCLSA-N 1 2 268.320 1.759 20 30 CDEDLO C=CCOC[C@H](O)CNc1ccccc1-n1cc[nH+]c1 ZINC001252450720 951287089 /nfs/dbraw/zinc/28/70/89/951287089.db2.gz GMOBEKRXYIWUAZ-CYBMUJFWSA-N 1 2 273.336 1.848 20 30 CDEDLO C=CCOC[C@@H](O)CNc1ccc(Cn2cc[nH+]c2)cc1 ZINC001252477645 951335901 /nfs/dbraw/zinc/33/59/01/951335901.db2.gz ZMHDUKLLXRHEKD-INIZCTEOSA-N 1 2 287.363 1.907 20 30 CDEDLO C=CCC[C@H](O)CNc1ccc[nH+]c1N1CCOCC1 ZINC001252588660 951480929 /nfs/dbraw/zinc/48/09/29/951480929.db2.gz OSXJICFLPFSUGK-ZDUSSCGKSA-N 1 2 277.368 1.657 20 30 CDEDLO C=CCCCCCC[C@H](O)C[NH2+]Cc1c[nH]nn1 ZINC001253251252 951828313 /nfs/dbraw/zinc/82/83/13/951828313.db2.gz IKBGOWOTFLMVJP-ZDUSSCGKSA-N 1 2 252.362 1.782 20 30 CDEDLO C=CCCCCCC[C@H](O)C[NH2+]Cc1cn[nH]n1 ZINC001253251252 951828317 /nfs/dbraw/zinc/82/83/17/951828317.db2.gz IKBGOWOTFLMVJP-ZDUSSCGKSA-N 1 2 252.362 1.782 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC001363246388 972016101 /nfs/dbraw/zinc/01/61/01/972016101.db2.gz USSCHKNUYYAESY-LBPRGKRZSA-N 1 2 295.383 1.020 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC001364411649 954580049 /nfs/dbraw/zinc/58/00/49/954580049.db2.gz MFGYRASDDVJXSW-UHFFFAOYSA-N 1 2 296.758 1.315 20 30 CDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001303974453 956141875 /nfs/dbraw/zinc/14/18/75/956141875.db2.gz FTNSJAZIHXABPG-GFCCVEGCSA-N 1 2 278.356 1.059 20 30 CDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001303974453 956141884 /nfs/dbraw/zinc/14/18/84/956141884.db2.gz FTNSJAZIHXABPG-GFCCVEGCSA-N 1 2 278.356 1.059 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CCn2cccn2)C1 ZINC001422717557 956285043 /nfs/dbraw/zinc/28/50/43/956285043.db2.gz UCCATUCKWWBRLV-GFCCVEGCSA-N 1 2 296.802 1.462 20 30 CDEDLO C=CCC[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001339280744 956398849 /nfs/dbraw/zinc/39/88/49/956398849.db2.gz MKPNIJUTBYPMRU-OLZOCXBDSA-N 1 2 252.358 1.274 20 30 CDEDLO C=CCC[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001339280744 956398864 /nfs/dbraw/zinc/39/88/64/956398864.db2.gz MKPNIJUTBYPMRU-OLZOCXBDSA-N 1 2 252.358 1.274 20 30 CDEDLO CC(C)(CC#N)CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001427379690 958233462 /nfs/dbraw/zinc/23/34/62/958233462.db2.gz WSLBCJCCKCHHMQ-NSHDSACASA-N 1 2 275.356 1.437 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)Cc2cc(C)on2)C1 ZINC001368149403 958666700 /nfs/dbraw/zinc/66/67/00/958666700.db2.gz GQONSPDVFLLMJG-CQSZACIVSA-N 1 2 297.786 1.859 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)Cc2cc(C)on2)C1 ZINC001368149403 958666708 /nfs/dbraw/zinc/66/67/08/958666708.db2.gz GQONSPDVFLLMJG-CQSZACIVSA-N 1 2 297.786 1.859 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C1(C)CCOCC1 ZINC001368985149 959361098 /nfs/dbraw/zinc/36/10/98/959361098.db2.gz DSLJWPWPQNATAX-GFCCVEGCSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C1(C)CCOCC1 ZINC001368985149 959361113 /nfs/dbraw/zinc/36/11/13/959361113.db2.gz DSLJWPWPQNATAX-GFCCVEGCSA-N 1 2 288.819 1.992 20 30 CDEDLO C=CC[C@H](NC(=O)c1cccc2[nH+]ccn21)C(=O)OCC ZINC001321038381 959550832 /nfs/dbraw/zinc/55/08/32/959550832.db2.gz VVYZDXZZKXOLRU-NSHDSACASA-N 1 2 287.319 1.572 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCc2cncnc2)C1 ZINC001419082391 961349381 /nfs/dbraw/zinc/34/93/81/961349381.db2.gz BOOHQUGSSHIBID-CYBMUJFWSA-N 1 2 294.786 1.352 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCc2cncnc2)C1 ZINC001419082391 961349401 /nfs/dbraw/zinc/34/94/01/961349401.db2.gz BOOHQUGSSHIBID-CYBMUJFWSA-N 1 2 294.786 1.352 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC2(OC)CCC2)C1 ZINC001419163249 961453313 /nfs/dbraw/zinc/45/33/13/961453313.db2.gz SHOVWKPTGJDCNU-GFCCVEGCSA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC2(OC)CCC2)C1 ZINC001419163249 961453322 /nfs/dbraw/zinc/45/33/22/961453322.db2.gz SHOVWKPTGJDCNU-GFCCVEGCSA-N 1 2 286.803 1.889 20 30 CDEDLO C=C1CCN(c2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)CC1 ZINC001337850686 961467316 /nfs/dbraw/zinc/46/73/16/961467316.db2.gz CXZWBRSKHXDUGT-ZIAGYGMSSA-N 1 2 288.395 1.840 20 30 CDEDLO C=C1CCN(c2cc(N3CC[C@@H]([C@@H](C)O)C3)nc[nH+]2)CC1 ZINC001337850686 961467326 /nfs/dbraw/zinc/46/73/26/961467326.db2.gz CXZWBRSKHXDUGT-ZIAGYGMSSA-N 1 2 288.395 1.840 20 30 CDEDLO C=CCNC(=O)C[N@@H+](CC)Cc1ccccc1F ZINC001338003359 961563854 /nfs/dbraw/zinc/56/38/54/961563854.db2.gz AELDNRSCNALQRJ-UHFFFAOYSA-N 1 2 250.317 1.950 20 30 CDEDLO C=CCNC(=O)C[N@H+](CC)Cc1ccccc1F ZINC001338003359 961563860 /nfs/dbraw/zinc/56/38/60/961563860.db2.gz AELDNRSCNALQRJ-UHFFFAOYSA-N 1 2 250.317 1.950 20 30 CDEDLO N#Cc1ccc(F)c(CNC(=O)NCc2ccc[nH+]c2N)c1 ZINC001434838460 961985990 /nfs/dbraw/zinc/98/59/90/961985990.db2.gz VILKPGARPQQJJX-UHFFFAOYSA-N 1 2 299.309 1.674 20 30 CDEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCOCC1 ZINC001338795783 961999383 /nfs/dbraw/zinc/99/93/83/961999383.db2.gz RGWOUSLIRYBQOK-UHFFFAOYSA-N 1 2 291.399 1.287 20 30 CDEDLO C[C@H](C(=O)Nc1ccn(CCC#N)n1)n1cc[nH+]c1 ZINC001339211295 962248136 /nfs/dbraw/zinc/24/81/36/962248136.db2.gz CHUNXMZIBXURSR-SNVBAGLBSA-N 1 2 258.285 1.193 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(C)[nH]c1=O ZINC001440967663 964297954 /nfs/dbraw/zinc/29/79/54/964297954.db2.gz MCLLSELVPWSHPV-NSHDSACASA-N 1 2 297.786 1.898 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(C)[nH]c1=O ZINC001440967663 964297966 /nfs/dbraw/zinc/29/79/66/964297966.db2.gz MCLLSELVPWSHPV-NSHDSACASA-N 1 2 297.786 1.898 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1ccc(F)cn1 ZINC001445766406 966326904 /nfs/dbraw/zinc/32/69/04/966326904.db2.gz QKUGVTQNVCSNQZ-NSHDSACASA-N 1 2 299.777 1.952 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1ccc(F)cn1 ZINC001445766406 966326912 /nfs/dbraw/zinc/32/69/12/966326912.db2.gz QKUGVTQNVCSNQZ-NSHDSACASA-N 1 2 299.777 1.952 20 30 CDEDLO C=CCN(CC=C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001349468053 966356515 /nfs/dbraw/zinc/35/65/15/966356515.db2.gz REYWDVQNPKKFSD-ZIAGYGMSSA-N 1 2 280.416 1.004 20 30 CDEDLO C=CCN(CC=C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001349468053 966356524 /nfs/dbraw/zinc/35/65/24/966356524.db2.gz REYWDVQNPKKFSD-ZIAGYGMSSA-N 1 2 280.416 1.004 20 30 CDEDLO C#CCC1(C(=O)NCCN(C)c2cc[nH+]c(C)n2)CCC1 ZINC001100176592 967566407 /nfs/dbraw/zinc/56/64/07/967566407.db2.gz VXTIDIYPQPYNEH-UHFFFAOYSA-N 1 2 286.379 1.531 20 30 CDEDLO C=CCN(c1nnc(Cc2[nH+]ccn2C)n1CC)C1CC1 ZINC001520757192 970221232 /nfs/dbraw/zinc/22/12/32/970221232.db2.gz KQAXTRGBIDNAJE-UHFFFAOYSA-N 1 2 286.383 1.777 20 30 CDEDLO CC[C@H](C(=O)N(CC)C[C@H](C)C#N)[N@@H+]1CCO[C@H](CC)C1 ZINC001361851862 970604234 /nfs/dbraw/zinc/60/42/34/970604234.db2.gz BMRUHIQBDVWGJS-RBSFLKMASA-N 1 2 295.427 1.884 20 30 CDEDLO CC[C@H](C(=O)N(CC)C[C@H](C)C#N)[N@H+]1CCO[C@H](CC)C1 ZINC001361851862 970604238 /nfs/dbraw/zinc/60/42/38/970604238.db2.gz BMRUHIQBDVWGJS-RBSFLKMASA-N 1 2 295.427 1.884 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC001415110896 972541748 /nfs/dbraw/zinc/54/17/48/972541748.db2.gz NDFYWVRSJVFBJB-CYBMUJFWSA-N 1 2 289.354 1.960 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001372099905 972790140 /nfs/dbraw/zinc/79/01/40/972790140.db2.gz ZWXDGBODVIDFGQ-JTQLQIEISA-N 1 2 297.790 1.025 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001372099905 972790149 /nfs/dbraw/zinc/79/01/49/972790149.db2.gz ZWXDGBODVIDFGQ-JTQLQIEISA-N 1 2 297.790 1.025 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccn(C)n1)C1CC1 ZINC001372897005 973186182 /nfs/dbraw/zinc/18/61/82/973186182.db2.gz NMBVJCBPORXFQP-UHFFFAOYSA-N 1 2 282.775 1.367 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccn(C)n1)C1CC1 ZINC001372897005 973186183 /nfs/dbraw/zinc/18/61/83/973186183.db2.gz NMBVJCBPORXFQP-UHFFFAOYSA-N 1 2 282.775 1.367 20 30 CDEDLO CCc1cnc(C[N@H+](C)CCCN(C)C(=O)[C@H](C)C#N)o1 ZINC001376909554 974815875 /nfs/dbraw/zinc/81/58/75/974815875.db2.gz LINVQBLQFSJCLE-GFCCVEGCSA-N 1 2 292.383 1.677 20 30 CDEDLO CCc1cnc(C[N@@H+](C)CCCN(C)C(=O)[C@H](C)C#N)o1 ZINC001376909554 974815886 /nfs/dbraw/zinc/81/58/86/974815886.db2.gz LINVQBLQFSJCLE-GFCCVEGCSA-N 1 2 292.383 1.677 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1ncc[nH]1 ZINC001379117665 975663837 /nfs/dbraw/zinc/66/38/37/975663837.db2.gz LRLXMJQWQTWALT-UHFFFAOYSA-N 1 2 270.764 1.095 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1ncc[nH]1 ZINC001379117665 975663841 /nfs/dbraw/zinc/66/38/41/975663841.db2.gz LRLXMJQWQTWALT-UHFFFAOYSA-N 1 2 270.764 1.095 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCc2ncccn2)C1 ZINC001389495968 975870659 /nfs/dbraw/zinc/87/06/59/975870659.db2.gz ZXLJYSSPPPHVOU-LBPRGKRZSA-N 1 2 294.786 1.352 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCc2ncccn2)C1 ZINC001389495968 975870669 /nfs/dbraw/zinc/87/06/69/975870669.db2.gz ZXLJYSSPPPHVOU-LBPRGKRZSA-N 1 2 294.786 1.352 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cn(C)nc1C ZINC001403119731 976738238 /nfs/dbraw/zinc/73/82/38/976738238.db2.gz MZMNMOIJZPKABL-SNVBAGLBSA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cn(C)nc1C ZINC001403119731 976738247 /nfs/dbraw/zinc/73/82/47/976738247.db2.gz MZMNMOIJZPKABL-SNVBAGLBSA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+]Cc1nc(CCC)no1 ZINC001132301606 1163229178 /nfs/dbraw/zinc/22/91/78/1163229178.db2.gz BSPWVGFAOLCAEH-UHFFFAOYSA-N 1 2 294.399 1.830 20 30 CDEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001132565832 1163374743 /nfs/dbraw/zinc/37/47/43/1163374743.db2.gz ZZXKSRCWAQTXQZ-ZJUUUORDSA-N 1 2 266.345 1.042 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nonc1C ZINC001132569569 1163378980 /nfs/dbraw/zinc/37/89/80/1163378980.db2.gz UMHVDWPJKIFKKR-UWVGGRQHSA-N 1 2 266.345 1.042 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001132662847 1163429365 /nfs/dbraw/zinc/42/93/65/1163429365.db2.gz KZQVJENKBXWCSA-ZYHUDNBSSA-N 1 2 280.372 1.747 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+][C@H](C)c1nnc(CC)o1 ZINC001133145048 1163587744 /nfs/dbraw/zinc/58/77/44/1163587744.db2.gz NJEGSTOJEUYERQ-LLVKDONJSA-N 1 2 280.372 1.755 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001133380484 1163663932 /nfs/dbraw/zinc/66/39/32/1163663932.db2.gz HEULIJFDNKBOHN-YGRLFVJLSA-N 1 2 280.372 1.747 20 30 CDEDLO C=CCC1(C(=O)NCC[NH2+]Cc2nc(C)no2)CCC1 ZINC001133392414 1163670283 /nfs/dbraw/zinc/67/02/83/1163670283.db2.gz WATOKLBBWDGYOY-UHFFFAOYSA-N 1 2 278.356 1.330 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cccc(C#N)n2)C1 ZINC000589455135 342506213 /nfs/dbraw/zinc/50/62/13/342506213.db2.gz BRYMAXHSFFYFKA-LLVKDONJSA-N 1 2 281.319 1.316 20 30 CDEDLO C=C[C@@H]([NH2+]CC1(COC)CCCCC1)C(=O)OC ZINC000589572722 342508954 /nfs/dbraw/zinc/50/89/54/342508954.db2.gz WKECTGIKPWBCQA-GFCCVEGCSA-N 1 2 255.358 1.901 20 30 CDEDLO N#C[C@]1(F)CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000619445371 342514987 /nfs/dbraw/zinc/51/49/87/342514987.db2.gz WZNCEOJLOYRGMB-DZGCQCFKSA-N 1 2 295.358 1.094 20 30 CDEDLO N#C[C@]1(F)CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000619445371 342514988 /nfs/dbraw/zinc/51/49/88/342514988.db2.gz WZNCEOJLOYRGMB-DZGCQCFKSA-N 1 2 295.358 1.094 20 30 CDEDLO N#Cc1cncnc1NCCCc1[nH]c2ccccc2[nH+]1 ZINC000589108487 342497404 /nfs/dbraw/zinc/49/74/04/342497404.db2.gz AVPWZKDTQQRZSA-UHFFFAOYSA-N 1 2 278.319 1.691 20 30 CDEDLO C=CCCCC(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000479024237 365543136 /nfs/dbraw/zinc/54/31/36/365543136.db2.gz VRAHVPZQTDRJDE-HNNXBMFYSA-N 1 2 296.411 1.292 20 30 CDEDLO Cc1ccc(C[N@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)nc1 ZINC000590754286 342587847 /nfs/dbraw/zinc/58/78/47/342587847.db2.gz OLOBVACGBJRVJV-MRXNPFEDSA-N 1 2 286.379 1.630 20 30 CDEDLO Cc1ccc(C[N@@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)nc1 ZINC000590754286 342587848 /nfs/dbraw/zinc/58/78/48/342587848.db2.gz OLOBVACGBJRVJV-MRXNPFEDSA-N 1 2 286.379 1.630 20 30 CDEDLO N#CCn1c(C(=O)NCCn2cc[nH+]c2)cc2ccccc21 ZINC000609164035 342092804 /nfs/dbraw/zinc/09/28/04/342092804.db2.gz WEXRCJCJEKVTEM-UHFFFAOYSA-N 1 2 293.330 1.791 20 30 CDEDLO CCc1noc([C@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592146323 342673351 /nfs/dbraw/zinc/67/33/51/342673351.db2.gz HHTQZPQVEQTLLC-CABZTGNLSA-N 1 2 250.302 1.043 20 30 CDEDLO CCc1noc([C@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592146323 342673352 /nfs/dbraw/zinc/67/33/52/342673352.db2.gz HHTQZPQVEQTLLC-CABZTGNLSA-N 1 2 250.302 1.043 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147240 342673628 /nfs/dbraw/zinc/67/36/28/342673628.db2.gz KDQYVBUAHRJQHW-BLLLJJGKSA-N 1 2 298.346 1.236 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147240 342673629 /nfs/dbraw/zinc/67/36/29/342673629.db2.gz KDQYVBUAHRJQHW-BLLLJJGKSA-N 1 2 298.346 1.236 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2c(F)cccc2F)C1 ZINC000592150441 342668506 /nfs/dbraw/zinc/66/85/06/342668506.db2.gz COOUSLDYWCNRRJ-ZDUSSCGKSA-N 1 2 252.264 1.815 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000592150441 342668507 /nfs/dbraw/zinc/66/85/07/342668507.db2.gz COOUSLDYWCNRRJ-ZDUSSCGKSA-N 1 2 252.264 1.815 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000592151186 342668882 /nfs/dbraw/zinc/66/88/82/342668882.db2.gz NVWXIHONZGPVRI-MRXNPFEDSA-N 1 2 282.347 1.723 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000592151186 342668883 /nfs/dbraw/zinc/66/88/83/342668883.db2.gz NVWXIHONZGPVRI-MRXNPFEDSA-N 1 2 282.347 1.723 20 30 CDEDLO N#CCCC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NC1CC1 ZINC000593040569 342756508 /nfs/dbraw/zinc/75/65/08/342756508.db2.gz JVHMSDGZRVFKHM-MRXNPFEDSA-N 1 2 283.375 1.996 20 30 CDEDLO N#CCCC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NC1CC1 ZINC000593040569 342756510 /nfs/dbraw/zinc/75/65/10/342756510.db2.gz JVHMSDGZRVFKHM-MRXNPFEDSA-N 1 2 283.375 1.996 20 30 CDEDLO COCCN(CCC#N)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000593450881 342801977 /nfs/dbraw/zinc/80/19/77/342801977.db2.gz GLAYILGRIBWYPT-LBPRGKRZSA-N 1 2 264.329 1.223 20 30 CDEDLO CC[C@H](C#N)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000593420879 342800074 /nfs/dbraw/zinc/80/00/74/342800074.db2.gz IOWPUQLKYUXOFC-GFCCVEGCSA-N 1 2 257.337 1.668 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1nnc(C(C)C)s1 ZINC000594010851 342863173 /nfs/dbraw/zinc/86/31/73/342863173.db2.gz QXWXBIKVXOLFQK-VIFPVBQESA-N 1 2 281.385 1.882 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]1(C#N)CCSC1 ZINC000594257655 342885364 /nfs/dbraw/zinc/88/53/64/342885364.db2.gz KOSNJFTXTVXRTF-JOYOIKCWSA-N 1 2 264.354 1.104 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]1(C#N)CCSC1 ZINC000594257655 342885365 /nfs/dbraw/zinc/88/53/65/342885365.db2.gz KOSNJFTXTVXRTF-JOYOIKCWSA-N 1 2 264.354 1.104 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000619179841 349647588 /nfs/dbraw/zinc/64/75/88/349647588.db2.gz GVNFILFQSIEJCG-QWHCGFSZSA-N 1 2 293.411 1.684 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000619179841 349647591 /nfs/dbraw/zinc/64/75/91/349647591.db2.gz GVNFILFQSIEJCG-QWHCGFSZSA-N 1 2 293.411 1.684 20 30 CDEDLO COCC[N@H+](Cc1cn(C)cn1)Cc1ccc(C#N)cc1 ZINC000595297517 343027441 /nfs/dbraw/zinc/02/74/41/343027441.db2.gz URZBUPZEXYTDAG-UHFFFAOYSA-N 1 2 284.363 1.940 20 30 CDEDLO COCC[N@@H+](Cc1cn(C)cn1)Cc1ccc(C#N)cc1 ZINC000595297517 343027442 /nfs/dbraw/zinc/02/74/42/343027442.db2.gz URZBUPZEXYTDAG-UHFFFAOYSA-N 1 2 284.363 1.940 20 30 CDEDLO N#CC1(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000619530828 349792845 /nfs/dbraw/zinc/79/28/45/349792845.db2.gz CLMOPIUYQRDUOC-LBPRGKRZSA-N 1 2 285.351 1.263 20 30 CDEDLO C=CCSCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595492383 343076365 /nfs/dbraw/zinc/07/63/65/343076365.db2.gz LRSPJMVLXGWCIO-CYBMUJFWSA-N 1 2 299.440 1.022 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595610274 343108553 /nfs/dbraw/zinc/10/85/53/343108553.db2.gz VCPOPXILRIJPBE-UKRRQHHQSA-N 1 2 276.384 1.667 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595610274 343108555 /nfs/dbraw/zinc/10/85/55/343108555.db2.gz VCPOPXILRIJPBE-UKRRQHHQSA-N 1 2 276.384 1.667 20 30 CDEDLO CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595614351 343109412 /nfs/dbraw/zinc/10/94/12/343109412.db2.gz KWSVZXNWPRNMDH-JTQLQIEISA-N 1 2 277.290 1.633 20 30 CDEDLO CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595614351 343109413 /nfs/dbraw/zinc/10/94/13/343109413.db2.gz KWSVZXNWPRNMDH-JTQLQIEISA-N 1 2 277.290 1.633 20 30 CDEDLO Cn1nc(C2CC2)nc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595623318 343111895 /nfs/dbraw/zinc/11/18/95/343111895.db2.gz MJFAHJUBZLTJPU-NSHDSACASA-N 1 2 259.357 1.818 20 30 CDEDLO Cn1nc(C2CC2)nc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623318 343111897 /nfs/dbraw/zinc/11/18/97/343111897.db2.gz MJFAHJUBZLTJPU-NSHDSACASA-N 1 2 259.357 1.818 20 30 CDEDLO CC(C)(CC#N)CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595650262 343117278 /nfs/dbraw/zinc/11/72/78/343117278.db2.gz VYWIMOBBHIAKIF-CYBMUJFWSA-N 1 2 294.399 1.042 20 30 CDEDLO C[C@@H](O)[C@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000595765899 343145081 /nfs/dbraw/zinc/14/50/81/343145081.db2.gz LDVWDRGNBRRACZ-MWLCHTKSSA-N 1 2 279.365 1.403 20 30 CDEDLO C[C@@H](O)[C@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000595765899 343145082 /nfs/dbraw/zinc/14/50/82/343145082.db2.gz LDVWDRGNBRRACZ-MWLCHTKSSA-N 1 2 279.365 1.403 20 30 CDEDLO N#CCN1CCC([NH2+][C@@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000588954218 342382524 /nfs/dbraw/zinc/38/25/24/342382524.db2.gz BWKBXWACJFFHLY-OAHLLOKOSA-N 1 2 296.378 1.472 20 30 CDEDLO COC(=O)N1CCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000092217100 342408050 /nfs/dbraw/zinc/40/80/50/342408050.db2.gz JKJGVRQENJPSLL-UHFFFAOYSA-N 1 2 299.334 1.090 20 30 CDEDLO C=C[C@@H]([NH2+]C1CCN(C(=O)C(CC)CC)CC1)C(=O)OC ZINC000619700573 349857595 /nfs/dbraw/zinc/85/75/95/349857595.db2.gz CHBILQGRIPQEGC-CQSZACIVSA-N 1 2 296.411 1.731 20 30 CDEDLO C=C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C(=O)OC ZINC000619702029 349858246 /nfs/dbraw/zinc/85/82/46/349858246.db2.gz DCOZJRFZUXYFQZ-YFKTTZPYSA-N 1 2 253.342 1.507 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000619719794 349869547 /nfs/dbraw/zinc/86/95/47/349869547.db2.gz FCPIWLJQNLSYBA-GXTWGEPZSA-N 1 2 283.368 1.232 20 30 CDEDLO C[C@H]1C[N@H+](CCN2CCC[C@](C)(C#N)C2)CCO1 ZINC000619720363 349870651 /nfs/dbraw/zinc/87/06/51/349870651.db2.gz DSCSPJZPNOBAHM-UONOGXRCSA-N 1 2 251.374 1.333 20 30 CDEDLO C[C@H]1C[N@@H+](CCN2CCC[C@](C)(C#N)C2)CCO1 ZINC000619720363 349870653 /nfs/dbraw/zinc/87/06/53/349870653.db2.gz DSCSPJZPNOBAHM-UONOGXRCSA-N 1 2 251.374 1.333 20 30 CDEDLO C[C@H]1CN(CC[N@@H+]2CCC[C@](C)(C#N)C2)CCO1 ZINC000619720363 349870656 /nfs/dbraw/zinc/87/06/56/349870656.db2.gz DSCSPJZPNOBAHM-UONOGXRCSA-N 1 2 251.374 1.333 20 30 CDEDLO C[C@H]1CN(CC[N@H+]2CCC[C@](C)(C#N)C2)CCO1 ZINC000619720363 349870657 /nfs/dbraw/zinc/87/06/57/349870657.db2.gz DSCSPJZPNOBAHM-UONOGXRCSA-N 1 2 251.374 1.333 20 30 CDEDLO C[C@H](NC(=O)c1ccc(C#N)n1C)c1[nH+]ccn1C ZINC000598463791 343805831 /nfs/dbraw/zinc/80/58/31/343805831.db2.gz CGWSNOAHHNIHLR-VIFPVBQESA-N 1 2 257.297 1.121 20 30 CDEDLO Cc1noc([C@@H](C)[N@H+](C)C[C@H](O)CC(C)(C)C#N)n1 ZINC000598623768 343846783 /nfs/dbraw/zinc/84/67/83/343846783.db2.gz RUKXSZYLZHJGPG-MWLCHTKSSA-N 1 2 266.345 1.672 20 30 CDEDLO Cc1noc([C@@H](C)[N@@H+](C)C[C@H](O)CC(C)(C)C#N)n1 ZINC000598623768 343846785 /nfs/dbraw/zinc/84/67/85/343846785.db2.gz RUKXSZYLZHJGPG-MWLCHTKSSA-N 1 2 266.345 1.672 20 30 CDEDLO Cn1nccc1[C@H]1c2[nH]cnc2CC[N@H+]1CCCCC#N ZINC000599445456 344051594 /nfs/dbraw/zinc/05/15/94/344051594.db2.gz SQXXYHOXEJTKQY-HNNXBMFYSA-N 1 2 284.367 1.785 20 30 CDEDLO Cn1nccc1[C@H]1c2[nH]cnc2CC[N@@H+]1CCCCC#N ZINC000599445456 344051597 /nfs/dbraw/zinc/05/15/97/344051597.db2.gz SQXXYHOXEJTKQY-HNNXBMFYSA-N 1 2 284.367 1.785 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3CCSC[C@H]3C#N)ccn12 ZINC000575000632 362358833 /nfs/dbraw/zinc/35/88/33/362358833.db2.gz IVPAFSFTLMNECK-GFCCVEGCSA-N 1 2 286.360 1.724 20 30 CDEDLO CC(C)C[C@@H](C(=O)N1CCN(CC#N)CC1)n1cc[nH+]c1 ZINC000602102695 344335773 /nfs/dbraw/zinc/33/57/73/344335773.db2.gz KYHYDWMOJBNALF-AWEZNQCLSA-N 1 2 289.383 1.138 20 30 CDEDLO CCn1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(C2CC2)n1 ZINC000602331917 344402144 /nfs/dbraw/zinc/40/21/44/344402144.db2.gz IFMWXQVUZFTIPS-OAHLLOKOSA-N 1 2 289.383 1.354 20 30 CDEDLO COC(=O)[C@H](C)[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602636143 344509842 /nfs/dbraw/zinc/50/98/42/344509842.db2.gz VEPVGLOPVOWREN-MNOVXSKESA-N 1 2 254.330 1.236 20 30 CDEDLO COc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000602861264 344616595 /nfs/dbraw/zinc/61/65/95/344616595.db2.gz FTMLRZHDROBTGA-NEPJUHHUSA-N 1 2 275.352 1.592 20 30 CDEDLO Cc1cccc(OCCCNC(=O)C[NH2+][C@@H](C)CC#N)c1 ZINC000602860580 344616606 /nfs/dbraw/zinc/61/66/06/344616606.db2.gz DNJPHGMAOLQKDJ-AWEZNQCLSA-N 1 2 289.379 1.772 20 30 CDEDLO CCOC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)CC#N ZINC000602869885 344640718 /nfs/dbraw/zinc/64/07/18/344640718.db2.gz QGOGSDJPMYZKLE-LLVKDONJSA-N 1 2 289.335 1.694 20 30 CDEDLO COCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166136 347067540 /nfs/dbraw/zinc/06/75/40/347067540.db2.gz AXURZGRSNCMKPF-OCCSQVGLSA-N 1 2 267.373 1.153 20 30 CDEDLO COCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166136 347067543 /nfs/dbraw/zinc/06/75/43/347067543.db2.gz AXURZGRSNCMKPF-OCCSQVGLSA-N 1 2 267.373 1.153 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCCC(C)(C)C#N)nn1 ZINC000603258462 344755094 /nfs/dbraw/zinc/75/50/94/344755094.db2.gz AIXUMECQQUQCEE-UHFFFAOYSA-N 1 2 259.357 1.721 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001019237019 684609321 /nfs/dbraw/zinc/60/93/21/684609321.db2.gz METBSCYJSVZTCU-JTQLQIEISA-N 1 2 280.397 1.441 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000052129789 345232700 /nfs/dbraw/zinc/23/27/00/345232700.db2.gz AONCUZGWNGSTIN-UHFFFAOYSA-N 1 2 260.312 1.525 20 30 CDEDLO Cc1ncc(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)cn1 ZINC000609537925 345595470 /nfs/dbraw/zinc/59/54/70/345595470.db2.gz GGBNIQVANCGPRT-OAHLLOKOSA-N 1 2 273.384 1.451 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000448919874 362606838 /nfs/dbraw/zinc/60/68/38/362606838.db2.gz DHYQYPDGGPOUHN-UHFFFAOYSA-N 1 2 276.384 1.277 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000066469313 345648767 /nfs/dbraw/zinc/64/87/67/345648767.db2.gz LKAOHIJWAQXDSR-QWHCGFSZSA-N 1 2 251.374 1.891 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000066469313 345648769 /nfs/dbraw/zinc/64/87/69/345648769.db2.gz LKAOHIJWAQXDSR-QWHCGFSZSA-N 1 2 251.374 1.891 20 30 CDEDLO C=CCN(C(=O)Cc1c[nH+]cn1C)[C@H](C)COC ZINC000617582953 345868013 /nfs/dbraw/zinc/86/80/13/345868013.db2.gz YYUHCWUYLOPWEQ-LLVKDONJSA-N 1 2 251.330 1.012 20 30 CDEDLO C=CC[C@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2CC)C1 ZINC000617781096 345970869 /nfs/dbraw/zinc/97/08/69/345970869.db2.gz FAYNBDGBDPZYJG-KBPBESRZSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[C@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2CC)C1 ZINC000617781096 345970870 /nfs/dbraw/zinc/97/08/70/345970870.db2.gz FAYNBDGBDPZYJG-KBPBESRZSA-N 1 2 266.385 1.522 20 30 CDEDLO C[C@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)CC2(CCC2)O1 ZINC000584840278 346452598 /nfs/dbraw/zinc/45/25/98/346452598.db2.gz XKPZHOZPBYMRLZ-LBPRGKRZSA-N 1 2 297.362 1.744 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CC2(CCC2)O1 ZINC000584840278 346452600 /nfs/dbraw/zinc/45/26/00/346452600.db2.gz XKPZHOZPBYMRLZ-LBPRGKRZSA-N 1 2 297.362 1.744 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000610917444 346487419 /nfs/dbraw/zinc/48/74/19/346487419.db2.gz LRFJVFRZDUSOHY-MRVPVSSYSA-N 1 2 253.252 1.795 20 30 CDEDLO CC(C)C[C@@H](C#N)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000611012005 346576495 /nfs/dbraw/zinc/57/64/95/346576495.db2.gz DHOLQAOZORPDQZ-NEPJUHHUSA-N 1 2 260.341 1.500 20 30 CDEDLO COCC1([N@H+](C)Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC000611178860 346630092 /nfs/dbraw/zinc/63/00/92/346630092.db2.gz QPPJYXRCYPXJDO-UHFFFAOYSA-N 1 2 288.347 1.956 20 30 CDEDLO COCC1([N@@H+](C)Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC000611178860 346630094 /nfs/dbraw/zinc/63/00/94/346630094.db2.gz QPPJYXRCYPXJDO-UHFFFAOYSA-N 1 2 288.347 1.956 20 30 CDEDLO CC(C)[C@@H](C#N)N1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000611413147 346779856 /nfs/dbraw/zinc/77/98/56/346779856.db2.gz UQHILRWMNJXDBT-CYBMUJFWSA-N 1 2 284.367 1.628 20 30 CDEDLO COCc1noc(C[NH2+][C@H](C)c2cccc(C#N)c2)n1 ZINC000611483522 346794731 /nfs/dbraw/zinc/79/47/31/346794731.db2.gz GGOZBGUPMAAXAV-SNVBAGLBSA-N 1 2 272.308 1.938 20 30 CDEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000618752605 347236529 /nfs/dbraw/zinc/23/65/29/347236529.db2.gz HWOIROLPWSZCBV-CQSZACIVSA-N 1 2 273.384 1.160 20 30 CDEDLO C=C[C@](C)(O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000612667762 347245894 /nfs/dbraw/zinc/24/58/94/347245894.db2.gz CWCTYTUIJYYHTC-HNNXBMFYSA-N 1 2 291.351 1.102 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCO[C@H]3CCC[C@@H]32)CCCCC1 ZINC000054346873 347819436 /nfs/dbraw/zinc/81/94/36/347819436.db2.gz NGUHCIASBPBNBU-KBPBESRZSA-N 1 2 291.395 1.582 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCO[C@H]3CCC[C@@H]32)CCCCC1 ZINC000054346873 347819437 /nfs/dbraw/zinc/81/94/37/347819437.db2.gz NGUHCIASBPBNBU-KBPBESRZSA-N 1 2 291.395 1.582 20 30 CDEDLO C=C[C@@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)C(=O)OC ZINC000619701593 347885613 /nfs/dbraw/zinc/88/56/13/347885613.db2.gz OGXVRXDJWIRMFY-CYBMUJFWSA-N 1 2 294.326 1.263 20 30 CDEDLO C=C[C@H](O)C(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000614000209 347959786 /nfs/dbraw/zinc/95/97/86/347959786.db2.gz JVHWBZCYYXFPNK-LBPRGKRZSA-N 1 2 265.357 1.231 20 30 CDEDLO C=C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)C(=O)OC ZINC000619704254 347968894 /nfs/dbraw/zinc/96/88/94/347968894.db2.gz ZXTCYJVUHZEKCH-NTZNESFSSA-N 1 2 271.382 1.358 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000614374953 348094219 /nfs/dbraw/zinc/09/42/19/348094219.db2.gz JPLLUGJTPJZEDP-KYEXWDHISA-N 1 2 289.379 1.621 20 30 CDEDLO C=C(C)CNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000126627476 348216883 /nfs/dbraw/zinc/21/68/83/348216883.db2.gz GZUSBQBRDDFEMM-UHFFFAOYSA-N 1 2 298.346 1.718 20 30 CDEDLO Cc1cc(OC[C@@H](O)C[N@H+](C)CCC#N)ccc1[N+](=O)[O-] ZINC000414141322 362922777 /nfs/dbraw/zinc/92/27/77/362922777.db2.gz MCMKVIBHIHHPPR-LBPRGKRZSA-N 1 2 293.323 1.488 20 30 CDEDLO Cc1cc(OC[C@@H](O)C[N@@H+](C)CCC#N)ccc1[N+](=O)[O-] ZINC000414141322 362922781 /nfs/dbraw/zinc/92/27/81/362922781.db2.gz MCMKVIBHIHHPPR-LBPRGKRZSA-N 1 2 293.323 1.488 20 30 CDEDLO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nnnn1C ZINC000615702480 348640547 /nfs/dbraw/zinc/64/05/47/348640547.db2.gz WAFDJZHSMWHQKK-UWVGGRQHSA-N 1 2 256.313 1.494 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438087 348764599 /nfs/dbraw/zinc/76/45/99/348764599.db2.gz XCIHGEPTGDJXMG-UHFFFAOYSA-N 1 2 254.280 1.699 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438087 348764601 /nfs/dbraw/zinc/76/46/01/348764601.db2.gz XCIHGEPTGDJXMG-UHFFFAOYSA-N 1 2 254.280 1.699 20 30 CDEDLO CC[N@H+](CC(=O)NCC#N)Cc1ccccc1Cl ZINC000066494262 348985420 /nfs/dbraw/zinc/98/54/20/348985420.db2.gz MEELOFMHESQXPY-UHFFFAOYSA-N 1 2 265.744 1.802 20 30 CDEDLO CC[N@@H+](CC(=O)NCC#N)Cc1ccccc1Cl ZINC000066494262 348985422 /nfs/dbraw/zinc/98/54/22/348985422.db2.gz MEELOFMHESQXPY-UHFFFAOYSA-N 1 2 265.744 1.802 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000073022955 349146977 /nfs/dbraw/zinc/14/69/77/349146977.db2.gz IVFYSKAMKYLBBS-JTQLQIEISA-N 1 2 294.351 1.497 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000073022955 349146980 /nfs/dbraw/zinc/14/69/80/349146980.db2.gz IVFYSKAMKYLBBS-JTQLQIEISA-N 1 2 294.351 1.497 20 30 CDEDLO Cc1nnc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)n1C ZINC000602909269 350163138 /nfs/dbraw/zinc/16/31/38/350163138.db2.gz LFKOZJPRMBCWKQ-UHFFFAOYSA-N 1 2 296.378 1.770 20 30 CDEDLO COCC[N@H+](C)Cc1cn([C@@H](C)c2ccc(C#N)cc2)nn1 ZINC000603229500 350228913 /nfs/dbraw/zinc/22/89/13/350228913.db2.gz ZGGMZOXWTOKQNB-ZDUSSCGKSA-N 1 2 299.378 1.837 20 30 CDEDLO COCC[N@@H+](C)Cc1cn([C@@H](C)c2ccc(C#N)cc2)nn1 ZINC000603229500 350228916 /nfs/dbraw/zinc/22/89/16/350228916.db2.gz ZGGMZOXWTOKQNB-ZDUSSCGKSA-N 1 2 299.378 1.837 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000175231309 366055913 /nfs/dbraw/zinc/05/59/13/366055913.db2.gz JNPANNZMMRXPNP-UHFFFAOYSA-N 1 2 295.346 1.812 20 30 CDEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)CO ZINC000292085367 198158351 /nfs/dbraw/zinc/15/83/51/198158351.db2.gz DZIQKBVQPDPAIY-GFCCVEGCSA-N 1 2 296.392 1.035 20 30 CDEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)CO ZINC000292085367 198158352 /nfs/dbraw/zinc/15/83/52/198158352.db2.gz DZIQKBVQPDPAIY-GFCCVEGCSA-N 1 2 296.392 1.035 20 30 CDEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccon3)C2)nc1 ZINC000292127165 198173957 /nfs/dbraw/zinc/17/39/57/198173957.db2.gz IMBJTRZFMYCZOH-ZDUSSCGKSA-N 1 2 270.292 1.595 20 30 CDEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccon3)C2)nc1 ZINC000292127165 198173958 /nfs/dbraw/zinc/17/39/58/198173958.db2.gz IMBJTRZFMYCZOH-ZDUSSCGKSA-N 1 2 270.292 1.595 20 30 CDEDLO CC#CC[N@@H+](CC)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000157366902 188312304 /nfs/dbraw/zinc/31/23/04/188312304.db2.gz OLMDGPXCDTYMFO-UHFFFAOYSA-N 1 2 288.347 1.742 20 30 CDEDLO CC#CC[N@H+](CC)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000157366902 188312306 /nfs/dbraw/zinc/31/23/06/188312306.db2.gz OLMDGPXCDTYMFO-UHFFFAOYSA-N 1 2 288.347 1.742 20 30 CDEDLO C#CCOc1ccc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000157614994 188327910 /nfs/dbraw/zinc/32/79/10/188327910.db2.gz PILISGXKNUIPJZ-AWEZNQCLSA-N 1 2 293.388 1.318 20 30 CDEDLO C#CCOc1ccc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000157614994 188327912 /nfs/dbraw/zinc/32/79/12/188327912.db2.gz PILISGXKNUIPJZ-AWEZNQCLSA-N 1 2 293.388 1.318 20 30 CDEDLO C=CCN1CC[C@@H](N(C)Cc2[nH]c(C)c(C)[nH+]2)C1=O ZINC000628259143 363278483 /nfs/dbraw/zinc/27/84/83/363278483.db2.gz ISZABTJDPVESNQ-GFCCVEGCSA-N 1 2 262.357 1.245 20 30 CDEDLO N#C[C@H]1CSCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000336140531 283070317 /nfs/dbraw/zinc/07/03/17/283070317.db2.gz FXNVMIREAGXEFP-AWEZNQCLSA-N 1 2 298.371 1.953 20 30 CDEDLO CCC[N@@H+](CC(=O)NC)Cc1ccc(F)cc1C#N ZINC000103226795 535278860 /nfs/dbraw/zinc/27/88/60/535278860.db2.gz DJJGDWUUSDIOQI-UHFFFAOYSA-N 1 2 263.316 1.655 20 30 CDEDLO C#CCOCCO[NH+]=C(N)c1ccc(OC)c(OC)c1 ZINC000853653865 684821264 /nfs/dbraw/zinc/82/12/64/684821264.db2.gz SAVSJTRAWCEPGN-UHFFFAOYSA-N 1 2 278.308 1.200 20 30 CDEDLO Cc1cc(C[N@@H+]2CCNC(=O)[C@H]2C(C)C)ccc1C#N ZINC000331095550 355937276 /nfs/dbraw/zinc/93/72/76/355937276.db2.gz BILYMGDQJVQPOZ-OAHLLOKOSA-N 1 2 271.364 1.823 20 30 CDEDLO Cc1cc(C[N@H+]2CCNC(=O)[C@H]2C(C)C)ccc1C#N ZINC000331095550 355937279 /nfs/dbraw/zinc/93/72/79/355937279.db2.gz BILYMGDQJVQPOZ-OAHLLOKOSA-N 1 2 271.364 1.823 20 30 CDEDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000336348502 356148191 /nfs/dbraw/zinc/14/81/91/356148191.db2.gz XKQZENLTERDBNF-ADLMAVQZSA-N 1 2 265.382 1.240 20 30 CDEDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000336348502 356148195 /nfs/dbraw/zinc/14/81/95/356148195.db2.gz XKQZENLTERDBNF-ADLMAVQZSA-N 1 2 265.382 1.240 20 30 CDEDLO C[C@H](OC[C@@H]1CCCCO1)C(=O)NCc1c[nH+]c[nH]1 ZINC000329734042 538630054 /nfs/dbraw/zinc/63/00/54/538630054.db2.gz KBGHTYLZQKJPJA-JQWIXIFHSA-N 1 2 267.329 1.840 20 30 CDEDLO C[C@H](OC[C@@H]1CCCCO1)C(=O)NCc1c[nH]c[nH+]1 ZINC000329734042 538630062 /nfs/dbraw/zinc/63/00/62/538630062.db2.gz KBGHTYLZQKJPJA-JQWIXIFHSA-N 1 2 267.329 1.840 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185190919 357519954 /nfs/dbraw/zinc/51/99/54/357519954.db2.gz VUKIFBUEYBPVIW-HNNXBMFYSA-N 1 2 258.321 1.550 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185190919 357519958 /nfs/dbraw/zinc/51/99/58/357519958.db2.gz VUKIFBUEYBPVIW-HNNXBMFYSA-N 1 2 258.321 1.550 20 30 CDEDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000335464459 357916139 /nfs/dbraw/zinc/91/61/39/357916139.db2.gz IRFOWGBJXAMDQR-XIKOKIGWSA-N 1 2 262.378 1.901 20 30 CDEDLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000335464459 357916142 /nfs/dbraw/zinc/91/61/42/357916142.db2.gz IRFOWGBJXAMDQR-XIKOKIGWSA-N 1 2 262.378 1.901 20 30 CDEDLO CCOC(=O)C[N@H+](Cc1cc(C#N)n(C)c1)C(C)C ZINC000191263052 358122873 /nfs/dbraw/zinc/12/28/73/358122873.db2.gz JHMYMRAGIZOIBY-UHFFFAOYSA-N 1 2 263.341 1.670 20 30 CDEDLO CCOC(=O)C[N@@H+](Cc1cc(C#N)n(C)c1)C(C)C ZINC000191263052 358122875 /nfs/dbraw/zinc/12/28/75/358122875.db2.gz JHMYMRAGIZOIBY-UHFFFAOYSA-N 1 2 263.341 1.670 20 30 CDEDLO C#CCO[C@@H](C)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000294685120 199133025 /nfs/dbraw/zinc/13/30/25/199133025.db2.gz YCDLTDRBKBQELV-LBPRGKRZSA-N 1 2 271.320 1.297 20 30 CDEDLO CC(C)(CNC(=O)c1cc(C#N)cs1)[NH+]1CCOCC1 ZINC000084069663 358224602 /nfs/dbraw/zinc/22/46/02/358224602.db2.gz WWWUFRWKWBBFQV-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)c(O)c1)C1CC1 ZINC000341700966 358793059 /nfs/dbraw/zinc/79/30/59/358793059.db2.gz APEYLNBWMFXDLA-CQSZACIVSA-N 1 2 296.330 1.878 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1nc2ccccc2o1 ZINC000493800611 366494176 /nfs/dbraw/zinc/49/41/76/366494176.db2.gz BLIKPLZNZCEKMM-QWGSZXSUSA-N 1 2 298.346 1.801 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1ccc(F)cc1 ZINC000493829509 366496054 /nfs/dbraw/zinc/49/60/54/366496054.db2.gz WXSMTRISNHSGJB-WUKHSURWSA-N 1 2 275.327 1.799 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000494869341 366513918 /nfs/dbraw/zinc/51/39/18/366513918.db2.gz CTSJVESQHAXOPO-GJZGRUSLSA-N 1 2 294.443 1.372 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1nc2ccccc2o1 ZINC000269318972 359371636 /nfs/dbraw/zinc/37/16/36/359371636.db2.gz LOSBYKQSTDLTLG-NSHDSACASA-N 1 2 271.320 1.398 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1nc2ccccc2o1 ZINC000269318972 359371643 /nfs/dbraw/zinc/37/16/43/359371643.db2.gz LOSBYKQSTDLTLG-NSHDSACASA-N 1 2 271.320 1.398 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCc1[nH]c[nH+]c1C)OCC ZINC000270150968 359390196 /nfs/dbraw/zinc/39/01/96/359390196.db2.gz HPBLEFSKSNZUPC-LBPRGKRZSA-N 1 2 251.330 1.706 20 30 CDEDLO C#CCC[N@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000274498802 359505865 /nfs/dbraw/zinc/50/58/65/359505865.db2.gz RCZAMFSEURPVJO-HNNXBMFYSA-N 1 2 257.333 1.984 20 30 CDEDLO C#CCC[N@@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000274498802 359505872 /nfs/dbraw/zinc/50/58/72/359505872.db2.gz RCZAMFSEURPVJO-HNNXBMFYSA-N 1 2 257.333 1.984 20 30 CDEDLO C#CC[N@@H+](CC(=O)N(C)Cc1cccs1)C1CC1 ZINC000274029333 359484383 /nfs/dbraw/zinc/48/43/83/359484383.db2.gz DCUFKWCEZISZHD-UHFFFAOYSA-N 1 2 262.378 1.804 20 30 CDEDLO C#CC[N@H+](CC(=O)N(C)Cc1cccs1)C1CC1 ZINC000274029333 359484387 /nfs/dbraw/zinc/48/43/87/359484387.db2.gz DCUFKWCEZISZHD-UHFFFAOYSA-N 1 2 262.378 1.804 20 30 CDEDLO C=CC[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000187331484 359923984 /nfs/dbraw/zinc/92/39/84/359923984.db2.gz WEJWTNXTBPSYNY-MRXNPFEDSA-N 1 2 288.391 1.795 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@@H](CCC)C2)C1=O ZINC000337195646 360019099 /nfs/dbraw/zinc/01/90/99/360019099.db2.gz WWAXIIFRQBSJBO-QWHCGFSZSA-N 1 2 252.358 1.274 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@@H](CCC)C2)C1=O ZINC000337195646 360019100 /nfs/dbraw/zinc/01/91/00/360019100.db2.gz WWAXIIFRQBSJBO-QWHCGFSZSA-N 1 2 252.358 1.274 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)NCCC(C)C)C1=O ZINC000337237678 360049996 /nfs/dbraw/zinc/04/99/96/360049996.db2.gz YUDYFXVWFBNEJM-UONOGXRCSA-N 1 2 295.427 1.256 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)NCCC(C)C)C1=O ZINC000337237678 360049999 /nfs/dbraw/zinc/04/99/99/360049999.db2.gz YUDYFXVWFBNEJM-UONOGXRCSA-N 1 2 295.427 1.256 20 30 CDEDLO CC[C@H](C)[N@H+](CC(=O)OC)CC(=O)N(CC)C[C@@H](C)C#N ZINC000337257064 360053300 /nfs/dbraw/zinc/05/33/00/360053300.db2.gz UHBVECYSXNEFLC-STQMWFEESA-N 1 2 297.399 1.268 20 30 CDEDLO CC[C@H](C)[N@@H+](CC(=O)OC)CC(=O)N(CC)C[C@@H](C)C#N ZINC000337257064 360053303 /nfs/dbraw/zinc/05/33/03/360053303.db2.gz UHBVECYSXNEFLC-STQMWFEESA-N 1 2 297.399 1.268 20 30 CDEDLO COC(=O)[C@H]([NH2+]CC1CCOCC1)c1cccc(C#N)c1 ZINC000176746020 189006730 /nfs/dbraw/zinc/00/67/30/189006730.db2.gz QPOULGRAHKGBJA-OAHLLOKOSA-N 1 2 288.347 1.789 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000424666448 360334954 /nfs/dbraw/zinc/33/49/54/360334954.db2.gz NXEJINGGWTYYNL-CYBMUJFWSA-N 1 2 266.385 1.568 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000424666448 360334960 /nfs/dbraw/zinc/33/49/60/360334960.db2.gz NXEJINGGWTYYNL-CYBMUJFWSA-N 1 2 266.385 1.568 20 30 CDEDLO C[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000385864795 360443515 /nfs/dbraw/zinc/44/35/15/360443515.db2.gz IBSKMKXCBDSQEM-KOLCDFICSA-N 1 2 279.365 1.261 20 30 CDEDLO C[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000385864795 360443517 /nfs/dbraw/zinc/44/35/17/360443517.db2.gz IBSKMKXCBDSQEM-KOLCDFICSA-N 1 2 279.365 1.261 20 30 CDEDLO C[N@H+](CCC#N)C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000496211521 366708417 /nfs/dbraw/zinc/70/84/17/366708417.db2.gz FXWOXZCHBCCIST-ZDUSSCGKSA-N 1 2 271.361 1.108 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000496211521 366708423 /nfs/dbraw/zinc/70/84/23/366708423.db2.gz FXWOXZCHBCCIST-ZDUSSCGKSA-N 1 2 271.361 1.108 20 30 CDEDLO C=CCOc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C)cc1 ZINC000628924049 361311113 /nfs/dbraw/zinc/31/11/13/361311113.db2.gz YDQQNUBYBQZPRA-CQSZACIVSA-N 1 2 290.363 1.312 20 30 CDEDLO C=CCOc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C)cc1 ZINC000628924049 361311118 /nfs/dbraw/zinc/31/11/18/361311118.db2.gz YDQQNUBYBQZPRA-CQSZACIVSA-N 1 2 290.363 1.312 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccnc(C2CC2)c1 ZINC000329334923 361482176 /nfs/dbraw/zinc/48/21/76/361482176.db2.gz OHTQTFOVGNHFIB-GFCCVEGCSA-N 1 2 289.379 1.984 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccnc(C2CC2)c1 ZINC000329334923 361482180 /nfs/dbraw/zinc/48/21/80/361482180.db2.gz OHTQTFOVGNHFIB-GFCCVEGCSA-N 1 2 289.379 1.984 20 30 CDEDLO C=CC[N@@H+](C)Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000154790570 361453990 /nfs/dbraw/zinc/45/39/90/361453990.db2.gz MMDKMSQJFIFZMY-ZDUSSCGKSA-N 1 2 283.397 1.035 20 30 CDEDLO C=CC[N@H+](C)Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000154790570 361453994 /nfs/dbraw/zinc/45/39/94/361453994.db2.gz MMDKMSQJFIFZMY-ZDUSSCGKSA-N 1 2 283.397 1.035 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@]23CCNC3=O)c(F)c1 ZINC000580567265 363922953 /nfs/dbraw/zinc/92/29/53/363922953.db2.gz UFZKXTQBNUXDPP-HNNXBMFYSA-N 1 2 273.311 1.552 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@]23CCNC3=O)c(F)c1 ZINC000580567265 363922959 /nfs/dbraw/zinc/92/29/59/363922959.db2.gz UFZKXTQBNUXDPP-HNNXBMFYSA-N 1 2 273.311 1.552 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000570864579 364050314 /nfs/dbraw/zinc/05/03/14/364050314.db2.gz WKOCFNLSWGGWBF-LLVKDONJSA-N 1 2 291.351 1.883 20 30 CDEDLO N#CCC1(C[N@H+]2CCOC[C@H]2[C@H]2CCCC2=O)CC1 ZINC000639588521 364182058 /nfs/dbraw/zinc/18/20/58/364182058.db2.gz IROMVQYZTHMXHR-OLZOCXBDSA-N 1 2 262.353 1.750 20 30 CDEDLO N#CCC1(C[N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)CC1 ZINC000639588521 364182065 /nfs/dbraw/zinc/18/20/65/364182065.db2.gz IROMVQYZTHMXHR-OLZOCXBDSA-N 1 2 262.353 1.750 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](C)[S@@](=O)[C@@H](CC)C2)C1=O ZINC000352896168 364569178 /nfs/dbraw/zinc/56/91/78/364569178.db2.gz ZFRTYWRGVVSLPP-UWRGKMDCSA-N 1 2 284.425 1.005 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](C)[S@@](=O)[C@@H](CC)C2)C1=O ZINC000352896168 364569182 /nfs/dbraw/zinc/56/91/82/364569182.db2.gz ZFRTYWRGVVSLPP-UWRGKMDCSA-N 1 2 284.425 1.005 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H](C(N)=O)C1 ZINC000249546708 364861387 /nfs/dbraw/zinc/86/13/87/364861387.db2.gz GKBAXJDTBKQAJS-IINYFYTJSA-N 1 2 275.327 1.783 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H](C(N)=O)C1 ZINC000249546708 364861393 /nfs/dbraw/zinc/86/13/93/364861393.db2.gz GKBAXJDTBKQAJS-IINYFYTJSA-N 1 2 275.327 1.783 20 30 CDEDLO CC[C@H]1C[N@H+](CC(=O)N(CC)CCC#N)C[C@H](C)O1 ZINC000111274200 364952660 /nfs/dbraw/zinc/95/26/60/364952660.db2.gz SDOILXFHXYLFGI-STQMWFEESA-N 1 2 267.373 1.248 20 30 CDEDLO CC[C@H]1C[N@@H+](CC(=O)N(CC)CCC#N)C[C@H](C)O1 ZINC000111274200 364952665 /nfs/dbraw/zinc/95/26/65/364952665.db2.gz SDOILXFHXYLFGI-STQMWFEESA-N 1 2 267.373 1.248 20 30 CDEDLO C=C[C@H](CO)NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000358764975 367899772 /nfs/dbraw/zinc/89/97/72/367899772.db2.gz DCOUIUZKSYBXNE-CYBMUJFWSA-N 1 2 286.335 1.218 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1nnc(C)o1 ZINC000542615444 368796146 /nfs/dbraw/zinc/79/61/46/368796146.db2.gz FJDNRYGQLZTFFH-GHMZBOCLSA-N 1 2 280.372 1.842 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(C#N)s1 ZINC000420811808 244396186 /nfs/dbraw/zinc/39/61/86/244396186.db2.gz FMYYGORGRWNPCD-SNVBAGLBSA-N 1 2 289.364 1.704 20 30 CDEDLO CC(C)[C@@H](C)NC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081043840 369930630 /nfs/dbraw/zinc/93/06/30/369930630.db2.gz OTXFUZKHNCTTST-GFCCVEGCSA-N 1 2 251.374 1.773 20 30 CDEDLO CC(C)[C@@H](C)NC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081043840 369930636 /nfs/dbraw/zinc/93/06/36/369930636.db2.gz OTXFUZKHNCTTST-GFCCVEGCSA-N 1 2 251.374 1.773 20 30 CDEDLO Cc1cc(C[N@@H+]2CCOC[C@]23CCOC3)ccc1C#N ZINC000441369695 370170733 /nfs/dbraw/zinc/17/07/33/370170733.db2.gz FJJVAKZCCXKVFQ-MRXNPFEDSA-N 1 2 272.348 1.858 20 30 CDEDLO Cc1cc(C[N@H+]2CCOC[C@]23CCOC3)ccc1C#N ZINC000441369695 370170736 /nfs/dbraw/zinc/17/07/36/370170736.db2.gz FJJVAKZCCXKVFQ-MRXNPFEDSA-N 1 2 272.348 1.858 20 30 CDEDLO CC[C@H](C(=O)OC)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000554564984 370226401 /nfs/dbraw/zinc/22/64/01/370226401.db2.gz OSSOLDUQDVBSCZ-CYBMUJFWSA-N 1 2 287.363 1.890 20 30 CDEDLO C=CCCCC[N@H+]1CC[S@](=O)C[C@H]1c1cnn(C)c1 ZINC000556235243 370241576 /nfs/dbraw/zinc/24/15/76/370241576.db2.gz ZNNUAWYHPMJSCF-LIRRHRJNSA-N 1 2 281.425 1.882 20 30 CDEDLO C=CCCCC[N@@H+]1CC[S@](=O)C[C@H]1c1cnn(C)c1 ZINC000556235243 370241580 /nfs/dbraw/zinc/24/15/80/370241580.db2.gz ZNNUAWYHPMJSCF-LIRRHRJNSA-N 1 2 281.425 1.882 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc2c(c1)COC2 ZINC000564560797 370244249 /nfs/dbraw/zinc/24/42/49/370244249.db2.gz GBCNDEZERUYSJW-HNNXBMFYSA-N 1 2 275.352 1.335 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc2c(c1)COC2 ZINC000564560797 370244253 /nfs/dbraw/zinc/24/42/53/370244253.db2.gz GBCNDEZERUYSJW-HNNXBMFYSA-N 1 2 275.352 1.335 20 30 CDEDLO CN1CC[N@H+](C)C[C@@H]1c1noc(CC(C)(C)C#N)n1 ZINC000350044761 372277253 /nfs/dbraw/zinc/27/72/53/372277253.db2.gz FXAYBYHGEMFXQA-SNVBAGLBSA-N 1 2 263.345 1.080 20 30 CDEDLO CN1CC[N@@H+](C)C[C@@H]1c1noc(CC(C)(C)C#N)n1 ZINC000350044761 372277263 /nfs/dbraw/zinc/27/72/63/372277263.db2.gz FXAYBYHGEMFXQA-SNVBAGLBSA-N 1 2 263.345 1.080 20 30 CDEDLO C[C@@H](Cc1cccc(F)c1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000578135754 372307766 /nfs/dbraw/zinc/30/77/66/372307766.db2.gz PPCVPEKOTNDKQC-LRDDRELGSA-N 1 2 291.370 1.964 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc(F)c1 ZINC000579328365 372557141 /nfs/dbraw/zinc/55/71/41/372557141.db2.gz VFBHXRARCODPMZ-LBPRGKRZSA-N 1 2 252.289 1.411 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc(F)c1 ZINC000579328365 372557144 /nfs/dbraw/zinc/55/71/44/372557144.db2.gz VFBHXRARCODPMZ-LBPRGKRZSA-N 1 2 252.289 1.411 20 30 CDEDLO Cc1noc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)n1 ZINC000348097589 372995454 /nfs/dbraw/zinc/99/54/54/372995454.db2.gz WQXNBFKMRRSEEV-VIFPVBQESA-N 1 2 285.307 1.539 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000630928039 373393641 /nfs/dbraw/zinc/39/36/41/373393641.db2.gz PBHGACNREWTRPE-GFCCVEGCSA-N 1 2 252.358 1.180 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000630928039 373393648 /nfs/dbraw/zinc/39/36/48/373393648.db2.gz PBHGACNREWTRPE-GFCCVEGCSA-N 1 2 252.358 1.180 20 30 CDEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cccc(OC)c1 ZINC000191107533 373447751 /nfs/dbraw/zinc/44/77/51/373447751.db2.gz RFURHBWXCZUCES-UHFFFAOYSA-N 1 2 278.352 1.768 20 30 CDEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cccc(OC)c1 ZINC000191107533 373447761 /nfs/dbraw/zinc/44/77/61/373447761.db2.gz RFURHBWXCZUCES-UHFFFAOYSA-N 1 2 278.352 1.768 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1cn(Cc2cccnc2)nn1 ZINC000191759018 373534121 /nfs/dbraw/zinc/53/41/21/373534121.db2.gz VBMZMWLDEASMDB-UHFFFAOYSA-N 1 2 287.367 1.356 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1cn(Cc2cccnc2)nn1 ZINC000191759018 373534135 /nfs/dbraw/zinc/53/41/35/373534135.db2.gz VBMZMWLDEASMDB-UHFFFAOYSA-N 1 2 287.367 1.356 20 30 CDEDLO CCOC1C[NH+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000296326047 373811463 /nfs/dbraw/zinc/81/14/63/373811463.db2.gz SZDXJRABXWCZCG-CYBMUJFWSA-N 1 2 276.336 1.019 20 30 CDEDLO CN(Cc1[nH+]ccn1C)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000301062296 373861146 /nfs/dbraw/zinc/86/11/46/373861146.db2.gz GVJRXOSJWMMAEV-UHFFFAOYSA-N 1 2 271.280 1.836 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000359974566 373994224 /nfs/dbraw/zinc/99/42/24/373994224.db2.gz AEYSOCUKGGUDDI-ZDUSSCGKSA-N 1 2 287.319 1.203 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000359974566 373994235 /nfs/dbraw/zinc/99/42/35/373994235.db2.gz AEYSOCUKGGUDDI-ZDUSSCGKSA-N 1 2 287.319 1.203 20 30 CDEDLO N#Cc1cccc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)n1 ZINC000302829604 373981858 /nfs/dbraw/zinc/98/18/58/373981858.db2.gz JXOWMXFILYWTGW-AWEZNQCLSA-N 1 2 283.335 1.626 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000342283672 374035071 /nfs/dbraw/zinc/03/50/71/374035071.db2.gz LAMVZDAYDVBXNE-IJEWVQPXSA-N 1 2 280.412 1.910 20 30 CDEDLO CNC(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000342373927 374157238 /nfs/dbraw/zinc/15/72/38/374157238.db2.gz NYNTYYADFFBRLG-CYBMUJFWSA-N 1 2 291.782 1.695 20 30 CDEDLO CNC(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000342373927 374157242 /nfs/dbraw/zinc/15/72/42/374157242.db2.gz NYNTYYADFFBRLG-CYBMUJFWSA-N 1 2 291.782 1.695 20 30 CDEDLO CC(C)[C@H]1C(=O)NCC[N@H+]1CCOc1ccccc1C#N ZINC000104064205 374174547 /nfs/dbraw/zinc/17/45/47/374174547.db2.gz QWIXLVROALMLKH-HNNXBMFYSA-N 1 2 287.363 1.393 20 30 CDEDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1CCOc1ccccc1C#N ZINC000104064205 374174551 /nfs/dbraw/zinc/17/45/51/374174551.db2.gz QWIXLVROALMLKH-HNNXBMFYSA-N 1 2 287.363 1.393 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000080907173 374484757 /nfs/dbraw/zinc/48/47/57/374484757.db2.gz QUFWANGEDBLZBO-MRXNPFEDSA-N 1 2 299.374 1.495 20 30 CDEDLO CCN1CCN(c2nc(C)cc(C#N)n2)C[C@H]1c1[nH]cc[nH+]1 ZINC000376462897 374558753 /nfs/dbraw/zinc/55/87/53/374558753.db2.gz QVCJNZBEQHJVOW-ZDUSSCGKSA-N 1 2 297.366 1.263 20 30 CDEDLO C[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CC[S@](=O)C1 ZINC000277471332 374787645 /nfs/dbraw/zinc/78/76/45/374787645.db2.gz MANQYTROMSWIDI-VOJFVSQTSA-N 1 2 265.382 1.097 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CC[S@](=O)C1 ZINC000277471332 374787649 /nfs/dbraw/zinc/78/76/49/374787649.db2.gz MANQYTROMSWIDI-VOJFVSQTSA-N 1 2 265.382 1.097 20 30 CDEDLO C[N@H+](Cc1ccc(Cl)cc1C#N)[C@@]1(CO)CCOC1 ZINC000331102817 374888431 /nfs/dbraw/zinc/88/84/31/374888431.db2.gz DWXFTZWORARPQM-CQSZACIVSA-N 1 2 280.755 1.795 20 30 CDEDLO C[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@]1(CO)CCOC1 ZINC000331102817 374888435 /nfs/dbraw/zinc/88/84/35/374888435.db2.gz DWXFTZWORARPQM-CQSZACIVSA-N 1 2 280.755 1.795 20 30 CDEDLO COCC[N@H+](CCO)Cc1cc(F)ccc1C#N ZINC000124888397 374858201 /nfs/dbraw/zinc/85/82/01/374858201.db2.gz FEYJYWHNRUMDSQ-UHFFFAOYSA-N 1 2 252.289 1.138 20 30 CDEDLO COCC[N@@H+](CCO)Cc1cc(F)ccc1C#N ZINC000124888397 374858209 /nfs/dbraw/zinc/85/82/09/374858209.db2.gz FEYJYWHNRUMDSQ-UHFFFAOYSA-N 1 2 252.289 1.138 20 30 CDEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(C#N)s1)CCO2 ZINC000279646715 374940825 /nfs/dbraw/zinc/94/08/25/374940825.db2.gz JWZNPUOVHUPHTK-SMDDNHRTSA-N 1 2 278.377 2.000 20 30 CDEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(C#N)s1)CCO2 ZINC000279646715 374940830 /nfs/dbraw/zinc/94/08/30/374940830.db2.gz JWZNPUOVHUPHTK-SMDDNHRTSA-N 1 2 278.377 2.000 20 30 CDEDLO C=C[C@H](C)NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000128554733 375138291 /nfs/dbraw/zinc/13/82/91/375138291.db2.gz XUPXGPMMKIUFGA-ZDUSSCGKSA-N 1 2 274.368 1.483 20 30 CDEDLO CC(C)(C#N)CNC(=O)NCCCNc1cccc[nH+]1 ZINC000351600454 375311291 /nfs/dbraw/zinc/31/12/91/375311291.db2.gz MRRFHCLGJGMIRA-UHFFFAOYSA-N 1 2 275.356 1.733 20 30 CDEDLO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@@H](C)C#N ZINC000049068167 375397340 /nfs/dbraw/zinc/39/73/40/375397340.db2.gz DXAAIXSYEDZFKS-JSGCOSHPSA-N 1 2 264.373 1.522 20 30 CDEDLO CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@@H](C)C#N ZINC000049068167 375397343 /nfs/dbraw/zinc/39/73/43/375397343.db2.gz DXAAIXSYEDZFKS-JSGCOSHPSA-N 1 2 264.373 1.522 20 30 CDEDLO CC[NH+]1CCN(c2snc(Cl)c2C#N)CC1 ZINC000047405192 375836059 /nfs/dbraw/zinc/83/60/59/375836059.db2.gz VZZIGEOPJHDTFS-UHFFFAOYSA-N 1 2 256.762 1.810 20 30 CDEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCC(c3n[nH]c(=O)[nH]3)CC2)C1 ZINC000328801951 375975366 /nfs/dbraw/zinc/97/53/66/375975366.db2.gz ZNHXSFURJIXBBH-MWLCHTKSSA-N 1 2 261.329 1.382 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435053101 248152128 /nfs/dbraw/zinc/15/21/28/248152128.db2.gz ZVHAQTTZHZOBKK-ZDUSSCGKSA-N 1 2 294.358 1.991 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N(C)Cc1cccc(C#N)c1F ZINC000434714225 248133504 /nfs/dbraw/zinc/13/35/04/248133504.db2.gz OHDYUHLVTNPFAZ-CYBMUJFWSA-N 1 2 291.370 1.850 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccnnc2C)C1 ZINC001043232514 684950139 /nfs/dbraw/zinc/95/01/39/684950139.db2.gz JEVYZCMSWSBMBZ-UHFFFAOYSA-N 1 2 260.341 1.117 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CC)C[C@@H](C)C#N ZINC000253357857 377810514 /nfs/dbraw/zinc/81/05/14/377810514.db2.gz JCLIYWVERUQQJF-QWHCGFSZSA-N 1 2 264.373 1.476 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC)C[C@@H](C)C#N ZINC000253357857 377810520 /nfs/dbraw/zinc/81/05/20/377810520.db2.gz JCLIYWVERUQQJF-QWHCGFSZSA-N 1 2 264.373 1.476 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000255754963 377831054 /nfs/dbraw/zinc/83/10/54/377831054.db2.gz KJHNYBXDNYIMLR-DZKIICNBSA-N 1 2 286.375 1.586 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000255754963 377831063 /nfs/dbraw/zinc/83/10/63/377831063.db2.gz KJHNYBXDNYIMLR-DZKIICNBSA-N 1 2 286.375 1.586 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000280486288 377956632 /nfs/dbraw/zinc/95/66/32/377956632.db2.gz BDHYYHIVWQHJCL-OLZOCXBDSA-N 1 2 278.356 1.164 20 30 CDEDLO COc1ccc(C[NH+]2CCN(CC#N)CC2)cc1O ZINC000092936243 378021381 /nfs/dbraw/zinc/02/13/81/378021381.db2.gz RNPBMEGOIVUENV-UHFFFAOYSA-N 1 2 261.325 1.042 20 30 CDEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000040461223 378094220 /nfs/dbraw/zinc/09/42/20/378094220.db2.gz XAWAQOAPUHANNZ-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000574696098 335040688 /nfs/dbraw/zinc/04/06/88/335040688.db2.gz NXMVILCABDYDON-CYBMUJFWSA-N 1 2 291.395 1.514 20 30 CDEDLO OC[C@]1(F)CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000287068727 378242297 /nfs/dbraw/zinc/24/22/97/378242297.db2.gz UVGCLNYSNAGTNS-HNNXBMFYSA-N 1 2 265.303 1.974 20 30 CDEDLO OC[C@]1(F)CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000287068727 378242300 /nfs/dbraw/zinc/24/23/00/378242300.db2.gz UVGCLNYSNAGTNS-HNNXBMFYSA-N 1 2 265.303 1.974 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000064443548 378398486 /nfs/dbraw/zinc/39/84/86/378398486.db2.gz ZCSSKBWSLYOESJ-UHFFFAOYSA-N 1 2 287.319 1.376 20 30 CDEDLO C=CCCCS(=O)(=O)N1CCN(C)c2[nH+]cccc21 ZINC000292816694 378516586 /nfs/dbraw/zinc/51/65/86/378516586.db2.gz ALPBNOVQLAKXRC-UHFFFAOYSA-N 1 2 281.381 1.634 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N(C)Cc1ccccc1OC ZINC000293135658 378539478 /nfs/dbraw/zinc/53/94/78/378539478.db2.gz NEPPRANKJCABCL-UHFFFAOYSA-N 1 2 274.364 1.609 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N(C)Cc1ccccc1OC ZINC000293135658 378539482 /nfs/dbraw/zinc/53/94/82/378539482.db2.gz NEPPRANKJCABCL-UHFFFAOYSA-N 1 2 274.364 1.609 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ncoc2C2CC2)CC1 ZINC000293544785 378573116 /nfs/dbraw/zinc/57/31/16/378573116.db2.gz YIEUJZFFKHVOQB-UHFFFAOYSA-N 1 2 273.336 1.333 20 30 CDEDLO C=CC[C@@H](CO)C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000343683647 378947777 /nfs/dbraw/zinc/94/77/77/378947777.db2.gz XTVHCCJZCISWHJ-TZMCWYRMSA-N 1 2 272.352 1.668 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000278601431 194062732 /nfs/dbraw/zinc/06/27/32/194062732.db2.gz LCCRZRZDHBVKTM-CQSZACIVSA-N 1 2 263.341 1.091 20 30 CDEDLO N#CCCCNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000344014420 379092125 /nfs/dbraw/zinc/09/21/25/379092125.db2.gz PIYXLTFTQHVYFJ-ZDUSSCGKSA-N 1 2 274.324 1.548 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](OC)C1 ZINC000246485705 379585968 /nfs/dbraw/zinc/58/59/68/379585968.db2.gz PABKGNIPLNXBMY-HUUCEWRRSA-N 1 2 288.347 1.883 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](OC)C1 ZINC000246485705 379585979 /nfs/dbraw/zinc/58/59/79/379585979.db2.gz PABKGNIPLNXBMY-HUUCEWRRSA-N 1 2 288.347 1.883 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)Cc1c(C)nc2sccn21 ZINC000268230334 190387916 /nfs/dbraw/zinc/38/79/16/190387916.db2.gz KXSCRWBMIFTBIC-UHFFFAOYSA-N 1 2 278.381 1.438 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)Cc1c(C)nc2sccn21 ZINC000268230334 190387917 /nfs/dbraw/zinc/38/79/17/190387917.db2.gz KXSCRWBMIFTBIC-UHFFFAOYSA-N 1 2 278.381 1.438 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)CCS(=O)(=O)c1cccc(OC)c1 ZINC000279338105 194391303 /nfs/dbraw/zinc/39/13/03/194391303.db2.gz UMWXWZNNRFDAHJ-UHFFFAOYSA-N 1 2 295.404 1.813 20 30 CDEDLO C#CC(C)(C)[N@H+](C)CCS(=O)(=O)c1cccc(OC)c1 ZINC000279338105 194391305 /nfs/dbraw/zinc/39/13/05/194391305.db2.gz UMWXWZNNRFDAHJ-UHFFFAOYSA-N 1 2 295.404 1.813 20 30 CDEDLO C[C@H](C[N@H+](C)Cc1cccc(C#N)c1)S(C)(=O)=O ZINC000450229351 251183521 /nfs/dbraw/zinc/18/35/21/251183521.db2.gz XBKYVWHXLUTGIF-LLVKDONJSA-N 1 2 266.366 1.423 20 30 CDEDLO C[C@H](C[N@@H+](C)Cc1cccc(C#N)c1)S(C)(=O)=O ZINC000450229351 251183524 /nfs/dbraw/zinc/18/35/24/251183524.db2.gz XBKYVWHXLUTGIF-LLVKDONJSA-N 1 2 266.366 1.423 20 30 CDEDLO N#Cc1cccc(/C=C\C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000492693032 253274019 /nfs/dbraw/zinc/27/40/19/253274019.db2.gz WQTCKOVEJJPQFU-FOSCPCJNSA-N 1 2 292.342 1.899 20 30 CDEDLO COc1ccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cc1C#N ZINC000493782072 253554557 /nfs/dbraw/zinc/55/45/57/253554557.db2.gz SVNVFYZBNFWMHC-CYBMUJFWSA-N 1 2 287.319 1.203 20 30 CDEDLO COc1ccc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)cc1C#N ZINC000493782072 253554560 /nfs/dbraw/zinc/55/45/60/253554560.db2.gz SVNVFYZBNFWMHC-CYBMUJFWSA-N 1 2 287.319 1.203 20 30 CDEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)C(C)C)CC2)cc1 ZINC000289156164 197248889 /nfs/dbraw/zinc/24/88/89/197248889.db2.gz QSDNIAAECYSQBQ-UHFFFAOYSA-N 1 2 270.376 1.968 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]([C@@H](CC)C(=O)OCC)C2CC2)C1=O ZINC000281178200 195137517 /nfs/dbraw/zinc/13/75/17/195137517.db2.gz ASZJNTHGVUJTCH-UONOGXRCSA-N 1 2 294.395 1.579 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]([C@@H](CC)C(=O)OCC)C2CC2)C1=O ZINC000281178200 195137519 /nfs/dbraw/zinc/13/75/19/195137519.db2.gz ASZJNTHGVUJTCH-UONOGXRCSA-N 1 2 294.395 1.579 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000347072280 533112565 /nfs/dbraw/zinc/11/25/65/533112565.db2.gz PNKQCTNIFOIYPH-AWEZNQCLSA-N 1 2 287.363 1.369 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)NCCCCC)C1=O ZINC000281208837 195149923 /nfs/dbraw/zinc/14/99/23/195149923.db2.gz CZAZJXLNCJLEKH-ZIAGYGMSSA-N 1 2 295.427 1.400 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)NCCCCC)C1=O ZINC000281208837 195149924 /nfs/dbraw/zinc/14/99/24/195149924.db2.gz CZAZJXLNCJLEKH-ZIAGYGMSSA-N 1 2 295.427 1.400 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(CC)CC(=C)C)C1=O ZINC000281458291 195248403 /nfs/dbraw/zinc/24/84/03/195248403.db2.gz VDYXQSCWQUDLTH-AWEZNQCLSA-N 1 2 293.411 1.130 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(CC)CC(=C)C)C1=O ZINC000281458291 195248404 /nfs/dbraw/zinc/24/84/04/195248404.db2.gz VDYXQSCWQUDLTH-AWEZNQCLSA-N 1 2 293.411 1.130 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000336799932 262396799 /nfs/dbraw/zinc/39/67/99/262396799.db2.gz KLOQNXAAIUOJMV-VHSXEESVSA-N 1 2 277.290 1.631 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000336799932 262396801 /nfs/dbraw/zinc/39/68/01/262396801.db2.gz KLOQNXAAIUOJMV-VHSXEESVSA-N 1 2 277.290 1.631 20 30 CDEDLO C[C@H]([NH2+]Cc1ncnn1CCF)c1ccc(C#N)cc1 ZINC000281650636 195322599 /nfs/dbraw/zinc/32/25/99/195322599.db2.gz NMAFCUWMAUJTQA-NSHDSACASA-N 1 2 273.315 1.970 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000177263281 390387522 /nfs/dbraw/zinc/38/75/22/390387522.db2.gz HKXMECPQKARWKA-OAHLLOKOSA-N 1 2 287.338 1.940 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000177263281 390387523 /nfs/dbraw/zinc/38/75/23/390387523.db2.gz HKXMECPQKARWKA-OAHLLOKOSA-N 1 2 287.338 1.940 20 30 CDEDLO CC(C)CNC(=O)CO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000106067453 390530937 /nfs/dbraw/zinc/53/09/37/390530937.db2.gz GDRONPCFWXLTFW-UHFFFAOYSA-N 1 2 297.786 1.944 20 30 CDEDLO C[C@H](O[NH+]=C(N)Cc1ccc(Cl)cc1)C(=O)NC1CC1 ZINC000106067296 390531233 /nfs/dbraw/zinc/53/12/33/390531233.db2.gz LAGJDAHCXOXQDH-VIFPVBQESA-N 1 2 295.770 1.838 20 30 CDEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NCc1cccnc1 ZINC000111250651 390670704 /nfs/dbraw/zinc/67/07/04/390670704.db2.gz WOXGCCSBBLXAMV-UHFFFAOYSA-N 1 2 288.395 1.960 20 30 CDEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NCc1cccnc1 ZINC000111250651 390670710 /nfs/dbraw/zinc/67/07/10/390670710.db2.gz WOXGCCSBBLXAMV-UHFFFAOYSA-N 1 2 288.395 1.960 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000367587278 390947322 /nfs/dbraw/zinc/94/73/22/390947322.db2.gz REZPQHIYQMRUJX-HUUCEWRRSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000367587278 390947323 /nfs/dbraw/zinc/94/73/23/390947323.db2.gz REZPQHIYQMRUJX-HUUCEWRRSA-N 1 2 296.411 1.291 20 30 CDEDLO CCOc1cc(C[NH+]2CCN(CC#N)CC2)ccc1OC ZINC000092936250 390897943 /nfs/dbraw/zinc/89/79/43/390897943.db2.gz IVHGNAXDFMPFGF-UHFFFAOYSA-N 1 2 289.379 1.735 20 30 CDEDLO N#CC1(c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)CCC1 ZINC000351032185 391029327 /nfs/dbraw/zinc/02/93/27/391029327.db2.gz PVTQNDYPKZURMH-NWDGAFQWSA-N 1 2 288.351 1.941 20 30 CDEDLO N#CC1(c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)CCC1 ZINC000351032185 391029332 /nfs/dbraw/zinc/02/93/32/391029332.db2.gz PVTQNDYPKZURMH-NWDGAFQWSA-N 1 2 288.351 1.941 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)[C@@H]1CCCOC1 ZINC000329514351 391002306 /nfs/dbraw/zinc/00/23/06/391002306.db2.gz ODCMCKPQCDHRMM-MGPQQGTHSA-N 1 2 299.415 1.026 20 30 CDEDLO C=C(C)C[N@@H+](CC)Cc1nc(C(=O)OCC)no1 ZINC000314339715 391139961 /nfs/dbraw/zinc/13/99/61/391139961.db2.gz MLHNQYRPRLGERH-UHFFFAOYSA-N 1 2 253.302 1.644 20 30 CDEDLO C=C(C)C[N@H+](CC)Cc1nc(C(=O)OCC)no1 ZINC000314339715 391139963 /nfs/dbraw/zinc/13/99/63/391139963.db2.gz MLHNQYRPRLGERH-UHFFFAOYSA-N 1 2 253.302 1.644 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(F)(C#N)CC1 ZINC000352448899 391141513 /nfs/dbraw/zinc/14/15/13/391141513.db2.gz JTELOGARUMSDKO-NSHDSACASA-N 1 2 278.331 1.265 20 30 CDEDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000337411252 391146701 /nfs/dbraw/zinc/14/67/01/391146701.db2.gz PANVOWCOPYJXOL-OAHLLOKOSA-N 1 2 292.404 1.957 20 30 CDEDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000337411252 391146705 /nfs/dbraw/zinc/14/67/05/391146705.db2.gz PANVOWCOPYJXOL-OAHLLOKOSA-N 1 2 292.404 1.957 20 30 CDEDLO CC(C)N(C(=O)C[NH+]1CCC(F)(C#N)CC1)C(C)C ZINC000352490228 391156187 /nfs/dbraw/zinc/15/61/87/391156187.db2.gz HIMFETPAYDSHNE-UHFFFAOYSA-N 1 2 269.364 1.959 20 30 CDEDLO CO[C@]1(C)CCCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000329998854 533361452 /nfs/dbraw/zinc/36/14/52/533361452.db2.gz SZSFNDLUMYEBSL-UKRRQHHQSA-N 1 2 299.415 1.122 20 30 CDEDLO CO[C@]1(C)CCCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000329998854 533361458 /nfs/dbraw/zinc/36/14/58/533361458.db2.gz SZSFNDLUMYEBSL-UKRRQHHQSA-N 1 2 299.415 1.122 20 30 CDEDLO C=CC[N@@H+](Cc1nc(C(=O)OCC)no1)C1CC1 ZINC000314419287 391151363 /nfs/dbraw/zinc/15/13/63/391151363.db2.gz FFIGQPMIISLDFM-UHFFFAOYSA-N 1 2 251.286 1.397 20 30 CDEDLO C=CC[N@H+](Cc1nc(C(=O)OCC)no1)C1CC1 ZINC000314419287 391151367 /nfs/dbraw/zinc/15/13/67/391151367.db2.gz FFIGQPMIISLDFM-UHFFFAOYSA-N 1 2 251.286 1.397 20 30 CDEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CC1(C#N)CCC1 ZINC000332004768 533402931 /nfs/dbraw/zinc/40/29/31/533402931.db2.gz RIDOGIFQRYDBMM-LBPRGKRZSA-N 1 2 285.413 1.084 20 30 CDEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CC1(C#N)CCC1 ZINC000332004768 533402934 /nfs/dbraw/zinc/40/29/34/533402934.db2.gz RIDOGIFQRYDBMM-LBPRGKRZSA-N 1 2 285.413 1.084 20 30 CDEDLO CC[C@@H](C)NC(=O)[C@H](C)O[NH+]=C(N)c1ccc(OC)cc1 ZINC000178140462 391182156 /nfs/dbraw/zinc/18/21/56/391182156.db2.gz YYNFIIJLEFIBJD-MNOVXSKESA-N 1 2 293.367 1.635 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000268572371 391219257 /nfs/dbraw/zinc/21/92/57/391219257.db2.gz RMCXZIHDDMDTRL-CHWSQXEVSA-N 1 2 287.363 1.999 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000268572371 391219260 /nfs/dbraw/zinc/21/92/60/391219260.db2.gz RMCXZIHDDMDTRL-CHWSQXEVSA-N 1 2 287.363 1.999 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000375952623 391208347 /nfs/dbraw/zinc/20/83/47/391208347.db2.gz BYVHGVMXQOMDPM-YRVVQQKDSA-N 1 2 298.452 1.276 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000375952623 391208350 /nfs/dbraw/zinc/20/83/50/391208350.db2.gz BYVHGVMXQOMDPM-YRVVQQKDSA-N 1 2 298.452 1.276 20 30 CDEDLO CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000186163035 391212922 /nfs/dbraw/zinc/21/29/22/391212922.db2.gz UHXAJDQEMCJFNB-UHFFFAOYSA-N 1 2 286.379 1.714 20 30 CDEDLO CN(CCC#N)C(=O)CC[N@H+](C)Cc1ncc(Cl)n1C ZINC000183252963 391258368 /nfs/dbraw/zinc/25/83/68/391258368.db2.gz LVSZOFWMBBMLEB-UHFFFAOYSA-N 1 2 297.790 1.267 20 30 CDEDLO CN(CCC#N)C(=O)CC[N@@H+](C)Cc1ncc(Cl)n1C ZINC000183252963 391258372 /nfs/dbraw/zinc/25/83/72/391258372.db2.gz LVSZOFWMBBMLEB-UHFFFAOYSA-N 1 2 297.790 1.267 20 30 CDEDLO CCN(CCC#N)S(=O)(=O)NCCc1ccc(C)c[nH+]1 ZINC000416506973 391318156 /nfs/dbraw/zinc/31/81/56/391318156.db2.gz LFHQIDIJRYJPFD-UHFFFAOYSA-N 1 2 296.396 1.003 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCCOc1c(C)cccc1C ZINC000339762053 391351854 /nfs/dbraw/zinc/35/18/54/391351854.db2.gz XFAFXTOVABFJOS-UHFFFAOYSA-N 1 2 288.391 1.754 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCCOc1c(C)cccc1C ZINC000339762053 391351858 /nfs/dbraw/zinc/35/18/58/391351858.db2.gz XFAFXTOVABFJOS-UHFFFAOYSA-N 1 2 288.391 1.754 20 30 CDEDLO O=C(C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)NCC1CCC1 ZINC000328963703 391398993 /nfs/dbraw/zinc/39/89/93/391398993.db2.gz LNZJVZVKZRSRCH-RRFJBIMHSA-N 1 2 296.411 1.605 20 30 CDEDLO O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)NCC1CCC1 ZINC000328963703 391398995 /nfs/dbraw/zinc/39/89/95/391398995.db2.gz LNZJVZVKZRSRCH-RRFJBIMHSA-N 1 2 296.411 1.605 20 30 CDEDLO C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1nnc[nH]1 ZINC000328972818 391401523 /nfs/dbraw/zinc/40/15/23/391401523.db2.gz VNUUUIBLUOBMSQ-DTWKUNHWSA-N 1 2 269.374 1.260 20 30 CDEDLO C[C@H](NC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1nnc[nH]1 ZINC000328972818 391401524 /nfs/dbraw/zinc/40/15/24/391401524.db2.gz VNUUUIBLUOBMSQ-DTWKUNHWSA-N 1 2 269.374 1.260 20 30 CDEDLO CSc1ccccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000411305554 391427676 /nfs/dbraw/zinc/42/76/76/391427676.db2.gz DCEDLFRJUPORCN-LBPRGKRZSA-N 1 2 280.393 1.994 20 30 CDEDLO CSc1ccccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000411305554 391427677 /nfs/dbraw/zinc/42/76/77/391427677.db2.gz DCEDLFRJUPORCN-LBPRGKRZSA-N 1 2 280.393 1.994 20 30 CDEDLO CN(CC1CCOCC1)C(=O)NCc1[nH+]ccn1C ZINC000330581178 391450726 /nfs/dbraw/zinc/45/07/26/391450726.db2.gz RMCCCAFYZFXBFB-UHFFFAOYSA-N 1 2 266.345 1.193 20 30 CDEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2occc2C)C1 ZINC000330597838 391452532 /nfs/dbraw/zinc/45/25/32/391452532.db2.gz DZUYRGAXKKQOKD-LBPRGKRZSA-N 1 2 294.351 1.778 20 30 CDEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2occc2C)C1 ZINC000330597838 391452535 /nfs/dbraw/zinc/45/25/35/391452535.db2.gz DZUYRGAXKKQOKD-LBPRGKRZSA-N 1 2 294.351 1.778 20 30 CDEDLO Cc1ccc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cn1 ZINC000330621731 391460799 /nfs/dbraw/zinc/46/07/99/391460799.db2.gz MVIWJHHDEGUUDI-OLZOCXBDSA-N 1 2 277.368 1.804 20 30 CDEDLO N#CC[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000597901575 391516898 /nfs/dbraw/zinc/51/68/98/391516898.db2.gz XMZMAXFIBFCDIQ-STQMWFEESA-N 1 2 272.352 1.598 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1csnn1 ZINC000412034588 391564187 /nfs/dbraw/zinc/56/41/87/391564187.db2.gz GFVKTOFXADMCMH-WDEREUQCSA-N 1 2 280.397 1.778 20 30 CDEDLO CC[C@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)C[C@@H](C)O1 ZINC000567896446 391546144 /nfs/dbraw/zinc/54/61/44/391546144.db2.gz OEXMMVBETUILOH-RISCZKNCSA-N 1 2 285.351 1.600 20 30 CDEDLO CC[C@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)C[C@@H](C)O1 ZINC000567896446 391546148 /nfs/dbraw/zinc/54/61/48/391546148.db2.gz OEXMMVBETUILOH-RISCZKNCSA-N 1 2 285.351 1.600 20 30 CDEDLO CCC(CC)[C@H](C(=O)N(C)C[C@@H](C)C#N)[NH+]1CCOCC1 ZINC000359267700 391586060 /nfs/dbraw/zinc/58/60/60/391586060.db2.gz XDXQHAPAETXGGI-DZGCQCFKSA-N 1 2 295.427 1.741 20 30 CDEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000412360052 391615200 /nfs/dbraw/zinc/61/52/00/391615200.db2.gz QVQIIFUZRNIAOB-ZDUSSCGKSA-N 1 2 296.411 1.590 20 30 CDEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000412360052 391615204 /nfs/dbraw/zinc/61/52/04/391615204.db2.gz QVQIIFUZRNIAOB-ZDUSSCGKSA-N 1 2 296.411 1.590 20 30 CDEDLO C=CCCC1(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000362226041 391715884 /nfs/dbraw/zinc/71/58/84/391715884.db2.gz YTOBMYOQNIDKMK-AWEZNQCLSA-N 1 2 280.412 1.912 20 30 CDEDLO CC(C)(CCC#N)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000360410639 391658138 /nfs/dbraw/zinc/65/81/38/391658138.db2.gz JFZAAHKWIFJEOG-GFCCVEGCSA-N 1 2 274.368 1.892 20 30 CDEDLO N#CCC1(O)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413249586 391728039 /nfs/dbraw/zinc/72/80/39/391728039.db2.gz MJJQUJRAHIISRF-UHFFFAOYSA-N 1 2 284.275 1.608 20 30 CDEDLO CN(CC1(O)CCC1)C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329736670 391766590 /nfs/dbraw/zinc/76/65/90/391766590.db2.gz LPVHJYDRBGUGSI-SNVBAGLBSA-N 1 2 278.356 1.028 20 30 CDEDLO CN(CC1(O)CCC1)C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329736670 391766591 /nfs/dbraw/zinc/76/65/91/391766591.db2.gz LPVHJYDRBGUGSI-SNVBAGLBSA-N 1 2 278.356 1.028 20 30 CDEDLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCN2C(=O)CC[C@H]2C1 ZINC000329779006 391778238 /nfs/dbraw/zinc/77/82/38/391778238.db2.gz LOHHDXHLHPMGTP-LBPRGKRZSA-N 1 2 299.334 1.186 20 30 CDEDLO Cc1ccc(NC(=O)N2CCn3ncnc3C2)c(C)[nH+]1 ZINC000329925470 391800579 /nfs/dbraw/zinc/80/05/79/391800579.db2.gz JVWAJQBSTAKYOP-UHFFFAOYSA-N 1 2 272.312 1.351 20 30 CDEDLO Cc1csc(NC(=O)CN2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000329952642 391805560 /nfs/dbraw/zinc/80/55/60/391805560.db2.gz IXVVGMMUYYFUMH-QWRGUYRKSA-N 1 2 296.396 1.054 20 30 CDEDLO Cc1csc(NC(=O)CN2C[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000329952642 391805563 /nfs/dbraw/zinc/80/55/63/391805563.db2.gz IXVVGMMUYYFUMH-QWRGUYRKSA-N 1 2 296.396 1.054 20 30 CDEDLO Cc1cc(N[C@H]2CCO[C@@H](c3ccnn3C)C2)c(C#N)c[nH+]1 ZINC000519145083 392844573 /nfs/dbraw/zinc/84/45/73/392844573.db2.gz IZKXZJQGMBXJRG-XJKSGUPXSA-N 1 2 297.362 1.749 20 30 CDEDLO C=C[C@@H](O)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000646819725 392903929 /nfs/dbraw/zinc/90/39/29/392903929.db2.gz WQSFRRJOQDRIDG-NWDGAFQWSA-N 1 2 284.306 1.231 20 30 CDEDLO CCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000425238904 393000314 /nfs/dbraw/zinc/00/03/14/393000314.db2.gz NDHTWTMLHCMCOJ-GFCCVEGCSA-N 1 2 258.325 1.106 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H](CO)O1 ZINC000191520921 393117768 /nfs/dbraw/zinc/11/77/68/393117768.db2.gz PZXOPJVVIXDICF-NXEZZACHSA-N 1 2 252.339 1.201 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H](CO)O1 ZINC000191520921 393117775 /nfs/dbraw/zinc/11/77/75/393117775.db2.gz PZXOPJVVIXDICF-NXEZZACHSA-N 1 2 252.339 1.201 20 30 CDEDLO Cc1nc(Nc2ccc(N3CCOCC3)[nH+]c2)ccc1C#N ZINC000487910669 393327218 /nfs/dbraw/zinc/32/72/18/393327218.db2.gz OYIRCEJBYKUKSN-UHFFFAOYSA-N 1 2 295.346 1.659 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N(C(C)C)C(C)C)nn1 ZINC000640793135 393451244 /nfs/dbraw/zinc/45/12/44/393451244.db2.gz BACZHHILOHDXNY-UHFFFAOYSA-N 1 2 291.399 1.036 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)c1F ZINC000223572152 140172763 /nfs/dbraw/zinc/17/27/63/140172763.db2.gz WSXGJQAYSXZXMO-ZDUSSCGKSA-N 1 2 273.311 1.504 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)c1F ZINC000223572152 140172764 /nfs/dbraw/zinc/17/27/64/140172764.db2.gz WSXGJQAYSXZXMO-ZDUSSCGKSA-N 1 2 273.311 1.504 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H](C)O1 ZINC000251874436 140314390 /nfs/dbraw/zinc/31/43/90/140314390.db2.gz PGNDHWMMSRMDDQ-DOMZBBRYSA-N 1 2 260.337 1.794 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H](C)O1 ZINC000251874436 140314391 /nfs/dbraw/zinc/31/43/91/140314391.db2.gz PGNDHWMMSRMDDQ-DOMZBBRYSA-N 1 2 260.337 1.794 20 30 CDEDLO CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)c(C)c2)CCO1 ZINC000488426988 398126010 /nfs/dbraw/zinc/12/60/10/398126010.db2.gz UIWSEFYIGRGNLQ-MRXNPFEDSA-N 1 2 287.363 1.204 20 30 CDEDLO CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(C)c2)CCO1 ZINC000488426988 398126019 /nfs/dbraw/zinc/12/60/19/398126019.db2.gz UIWSEFYIGRGNLQ-MRXNPFEDSA-N 1 2 287.363 1.204 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccccc2)nn1 ZINC000656444905 413252940 /nfs/dbraw/zinc/25/29/40/413252940.db2.gz LYUMVYMAPXFQPK-UHFFFAOYSA-N 1 2 283.335 1.030 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@](F)(CO)C2)cc1F ZINC000335925420 151118406 /nfs/dbraw/zinc/11/84/06/151118406.db2.gz YHGGVILTFJSKAZ-CYBMUJFWSA-N 1 2 252.264 1.604 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)cc1F ZINC000335925420 151118408 /nfs/dbraw/zinc/11/84/08/151118408.db2.gz YHGGVILTFJSKAZ-CYBMUJFWSA-N 1 2 252.264 1.604 20 30 CDEDLO CNC(=O)N1CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000336095894 151265092 /nfs/dbraw/zinc/26/50/92/151265092.db2.gz CEQNMBKRWSDENQ-UHFFFAOYSA-N 1 2 272.352 1.324 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NCCNc2cccc[nH+]2)c1 ZINC000359058419 158113557 /nfs/dbraw/zinc/11/35/57/158113557.db2.gz UDPDBOGHEOAPNJ-UHFFFAOYSA-N 1 2 255.281 1.123 20 30 CDEDLO Cn1cc(C[NH2+]Cc2nnc3n2CCCCC3)cc1C#N ZINC000359749107 158361333 /nfs/dbraw/zinc/36/13/33/158361333.db2.gz UKOYHZOCIIEKOJ-UHFFFAOYSA-N 1 2 284.367 1.504 20 30 CDEDLO C[N@@H+]1CCc2ncnc(NCCc3cccc(C#N)c3)c2C1 ZINC000373997922 160243726 /nfs/dbraw/zinc/24/37/26/160243726.db2.gz JRXBQKJVUDMTQN-UHFFFAOYSA-N 1 2 293.374 1.413 20 30 CDEDLO C[N@H+]1CCc2ncnc(NCCc3cccc(C#N)c3)c2C1 ZINC000373997922 160243727 /nfs/dbraw/zinc/24/37/27/160243727.db2.gz JRXBQKJVUDMTQN-UHFFFAOYSA-N 1 2 293.374 1.413 20 30 CDEDLO C=CC[N@@H+](Cc1nc(CC)cc(=O)[nH]1)[C@@H](C)COC ZINC000661242449 413912101 /nfs/dbraw/zinc/91/21/01/413912101.db2.gz PDNXYJQUKQTQMW-NSHDSACASA-N 1 2 265.357 1.768 20 30 CDEDLO C=CC[N@H+](Cc1nc(CC)cc(=O)[nH]1)[C@@H](C)COC ZINC000661242449 413912108 /nfs/dbraw/zinc/91/21/08/413912108.db2.gz PDNXYJQUKQTQMW-NSHDSACASA-N 1 2 265.357 1.768 20 30 CDEDLO C=C[C@H](CO)NC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000661349861 414011372 /nfs/dbraw/zinc/01/13/72/414011372.db2.gz RBSFSMLBFACBOO-GFCCVEGCSA-N 1 2 288.351 1.031 20 30 CDEDLO C=CCCNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000661571556 414173495 /nfs/dbraw/zinc/17/34/95/414173495.db2.gz IDZOHAJRZPPDGE-UHFFFAOYSA-N 1 2 274.368 1.485 20 30 CDEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)c2cccn2C)CC1 ZINC000662253026 414586731 /nfs/dbraw/zinc/58/67/31/414586731.db2.gz GMZOJLXKRLVDMQ-CQSZACIVSA-N 1 2 273.380 1.585 20 30 CDEDLO C#CCNC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000078796044 177389376 /nfs/dbraw/zinc/38/93/76/177389376.db2.gz OEANPLBZZAXVLT-UHFFFAOYSA-N 1 2 291.782 1.800 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCC2=CCCOC2)C1 ZINC000329255191 227386527 /nfs/dbraw/zinc/38/65/27/227386527.db2.gz AAKONTWITGBJSD-ZDUSSCGKSA-N 1 2 290.367 1.470 20 30 CDEDLO CCS(=O)(=O)C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000347121452 226034579 /nfs/dbraw/zinc/03/45/79/226034579.db2.gz FUMRQEWLSQJIGG-UHFFFAOYSA-N 1 2 272.414 1.825 20 30 CDEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000347088709 226044101 /nfs/dbraw/zinc/04/41/01/226044101.db2.gz PXJCPGNTPCMYIR-QWHCGFSZSA-N 1 2 272.352 1.446 20 30 CDEDLO Cc1nc(C)c(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)o1 ZINC000329202301 227353070 /nfs/dbraw/zinc/35/30/70/227353070.db2.gz YAQFRLCVJHUQKT-SECBINFHSA-N 1 2 260.297 1.877 20 30 CDEDLO Cc1nc(C)c(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)o1 ZINC000329202301 227353077 /nfs/dbraw/zinc/35/30/77/227353077.db2.gz YAQFRLCVJHUQKT-SECBINFHSA-N 1 2 260.297 1.877 20 30 CDEDLO Cc1nc(CC2CC2)oc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000330027795 228020196 /nfs/dbraw/zinc/02/01/96/228020196.db2.gz NOQFKISFBMPBFN-GFCCVEGCSA-N 1 2 293.367 1.571 20 30 CDEDLO Cc1nc(CC2CC2)oc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000330027795 228020200 /nfs/dbraw/zinc/02/02/00/228020200.db2.gz NOQFKISFBMPBFN-GFCCVEGCSA-N 1 2 293.367 1.571 20 30 CDEDLO Cc1nccc(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)n1 ZINC000330137802 228047400 /nfs/dbraw/zinc/04/74/00/228047400.db2.gz VDFPTVZCNBCOCI-NSHDSACASA-N 1 2 286.339 1.554 20 30 CDEDLO C[C@]1(CNC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCOC1 ZINC000330177628 228056322 /nfs/dbraw/zinc/05/63/22/228056322.db2.gz DCBZKJUQKXTLJO-SMDDNHRTSA-N 1 2 278.356 1.128 20 30 CDEDLO C[C@]1(C[NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CCOC1 ZINC000330177628 228056325 /nfs/dbraw/zinc/05/63/25/228056325.db2.gz DCBZKJUQKXTLJO-SMDDNHRTSA-N 1 2 278.356 1.128 20 30 CDEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCCc2n[nH]cc21 ZINC000330288237 228093073 /nfs/dbraw/zinc/09/30/73/228093073.db2.gz BNWJMKXVBNWSGR-GHMZBOCLSA-N 1 2 285.351 1.998 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccccn1 ZINC000081159034 260331559 /nfs/dbraw/zinc/33/15/59/260331559.db2.gz ZIIFWPPPCAWUCQ-UHFFFAOYSA-N 1 2 274.368 1.129 20 30 CDEDLO C#CC[NH+]1CCN(Cn2nccc2-c2ccncc2)CC1 ZINC000490634812 261175092 /nfs/dbraw/zinc/17/50/92/261175092.db2.gz AACVIBCGVBYFKC-UHFFFAOYSA-N 1 2 281.363 1.153 20 30 CDEDLO C#CCNC(=O)CC[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000491119697 261335594 /nfs/dbraw/zinc/33/55/94/261335594.db2.gz JLCKESFMHGVTOJ-UHFFFAOYSA-N 1 2 281.359 1.596 20 30 CDEDLO C#CCNC(=O)CC[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000491119697 261335597 /nfs/dbraw/zinc/33/55/97/261335597.db2.gz JLCKESFMHGVTOJ-UHFFFAOYSA-N 1 2 281.359 1.596 20 30 CDEDLO C=CCCC1(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000353313736 262681884 /nfs/dbraw/zinc/68/18/84/262681884.db2.gz NFGVAIAXZQRYIT-UHFFFAOYSA-N 1 2 252.358 1.181 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000339984811 262709403 /nfs/dbraw/zinc/70/94/03/262709403.db2.gz SJLCSKATVSNEEG-QWHCGFSZSA-N 1 2 268.401 1.814 20 30 CDEDLO COc1c(O)cccc1C[NH+]1CCN(CC#N)CC1 ZINC000272243549 263002841 /nfs/dbraw/zinc/00/28/41/263002841.db2.gz HBFNNYMQVOEGRZ-UHFFFAOYSA-N 1 2 261.325 1.042 20 30 CDEDLO N#CCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000274008570 263020871 /nfs/dbraw/zinc/02/08/71/263020871.db2.gz KPMGCKLOQFBYOI-UHFFFAOYSA-N 1 2 273.336 1.049 20 30 CDEDLO Cc1c(-c2cc(C[N@@H+](C)C[C@H](C)C#N)on2)cnn1C ZINC000274303599 263022958 /nfs/dbraw/zinc/02/29/58/263022958.db2.gz CSZPOKRCRZJPLH-SNVBAGLBSA-N 1 2 273.340 1.975 20 30 CDEDLO Cc1c(-c2cc(C[N@H+](C)C[C@H](C)C#N)on2)cnn1C ZINC000274303599 263022959 /nfs/dbraw/zinc/02/29/59/263022959.db2.gz CSZPOKRCRZJPLH-SNVBAGLBSA-N 1 2 273.340 1.975 20 30 CDEDLO C[N@H+](CCCCC#N)Cc1ncnn1CC(F)F ZINC000279051513 263052735 /nfs/dbraw/zinc/05/27/35/263052735.db2.gz YLDZABBEHFYFBL-UHFFFAOYSA-N 1 2 257.288 1.669 20 30 CDEDLO C[N@@H+](CCCCC#N)Cc1ncnn1CC(F)F ZINC000279051513 263052736 /nfs/dbraw/zinc/05/27/36/263052736.db2.gz YLDZABBEHFYFBL-UHFFFAOYSA-N 1 2 257.288 1.669 20 30 CDEDLO C[NH+]1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279875954 263057908 /nfs/dbraw/zinc/05/79/08/263057908.db2.gz HWYXEXXMQFKDPJ-HNNXBMFYSA-N 1 2 282.347 1.015 20 30 CDEDLO C[NH+]1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279875958 263058026 /nfs/dbraw/zinc/05/80/26/263058026.db2.gz HWYXEXXMQFKDPJ-OAHLLOKOSA-N 1 2 282.347 1.015 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000285442435 263092992 /nfs/dbraw/zinc/09/29/92/263092992.db2.gz MFYLAPGJQPHNRT-HNNXBMFYSA-N 1 2 270.336 1.933 20 30 CDEDLO C[N@H+](CC(=O)Nc1sccc1C#N)C1(CO)CC1 ZINC000285505402 263093749 /nfs/dbraw/zinc/09/37/49/263093749.db2.gz NBJZLTLFIBEKBV-UHFFFAOYSA-N 1 2 265.338 1.015 20 30 CDEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)C1(CO)CC1 ZINC000285505402 263093750 /nfs/dbraw/zinc/09/37/50/263093750.db2.gz NBJZLTLFIBEKBV-UHFFFAOYSA-N 1 2 265.338 1.015 20 30 CDEDLO CCOC(=O)c1cnn(C2CC[NH+](CCC#N)CC2)c1 ZINC000295688975 263181139 /nfs/dbraw/zinc/18/11/39/263181139.db2.gz SKFVLJSXCIMBKG-UHFFFAOYSA-N 1 2 276.340 1.610 20 30 CDEDLO CCOc1ccc(OC[C@H](O)C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000299159381 263232392 /nfs/dbraw/zinc/23/23/92/263232392.db2.gz KKHSGRKGFLJPPE-ZIAGYGMSSA-N 1 2 292.379 1.916 20 30 CDEDLO CCOc1ccc(OC[C@H](O)C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000299159381 263232394 /nfs/dbraw/zinc/23/23/94/263232394.db2.gz KKHSGRKGFLJPPE-ZIAGYGMSSA-N 1 2 292.379 1.916 20 30 CDEDLO CCn1c(C)nnc1C[NH+]1CCC(C#N)(COC)CC1 ZINC000341971690 263372848 /nfs/dbraw/zinc/37/28/48/263372848.db2.gz DTOUEKXHCLFVCV-UHFFFAOYSA-N 1 2 277.372 1.359 20 30 CDEDLO CC#CCCCC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000342002317 263376182 /nfs/dbraw/zinc/37/61/82/263376182.db2.gz IXIOQLZNXFASKV-CYBMUJFWSA-N 1 2 252.358 1.017 20 30 CDEDLO CC#CCCCC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000342002317 263376184 /nfs/dbraw/zinc/37/61/84/263376184.db2.gz IXIOQLZNXFASKV-CYBMUJFWSA-N 1 2 252.358 1.017 20 30 CDEDLO Cc1ccc2nc(C[N@@H+](C)C[C@@H](C)C#N)cc(=O)n2c1 ZINC000049001206 263819151 /nfs/dbraw/zinc/81/91/51/263819151.db2.gz LEMFZRYWCPWOQJ-LBPRGKRZSA-N 1 2 270.336 1.594 20 30 CDEDLO Cc1ccc2nc(C[N@H+](C)C[C@@H](C)C#N)cc(=O)n2c1 ZINC000049001206 263819152 /nfs/dbraw/zinc/81/91/52/263819152.db2.gz LEMFZRYWCPWOQJ-LBPRGKRZSA-N 1 2 270.336 1.594 20 30 CDEDLO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@H]2C#N)on1 ZINC000330802163 264041865 /nfs/dbraw/zinc/04/18/65/264041865.db2.gz APVNESQZCVFDRS-DCAQKATOSA-N 1 2 262.313 1.592 20 30 CDEDLO Cc1scc(C(=O)N[C@H](CO)C[NH+]2CCOCC2)c1C ZINC000330827542 264048751 /nfs/dbraw/zinc/04/87/51/264048751.db2.gz JBEBMFKQUUQGQY-LBPRGKRZSA-N 1 2 298.408 1.363 20 30 CDEDLO Cc1ncc(C(=O)NC(C)(C)C[NH+]2CCOCC2)s1 ZINC000331359984 264208826 /nfs/dbraw/zinc/20/88/26/264208826.db2.gz XFYXIIJMQUEFLA-UHFFFAOYSA-N 1 2 283.397 1.867 20 30 CDEDLO C=C(C)CN1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000362815116 267050367 /nfs/dbraw/zinc/05/03/67/267050367.db2.gz RPPULVJGHIUAFU-OAHLLOKOSA-N 1 2 284.363 1.692 20 30 CDEDLO C=C(C)CN(C)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000367878572 267124224 /nfs/dbraw/zinc/12/42/24/267124224.db2.gz LSDSNOHRLRNVNV-UHFFFAOYSA-N 1 2 285.351 1.985 20 30 CDEDLO C=CCC[C@H](NCc1c[nH+]cn1CC)C(=O)OCC ZINC000418116452 267130121 /nfs/dbraw/zinc/13/01/21/267130121.db2.gz QFHZKYUPXIGZMQ-ZDUSSCGKSA-N 1 2 265.357 1.891 20 30 CDEDLO C#CCOc1ccc(CN2CCn3c[nH+]cc3C2)cc1 ZINC000368213466 267152950 /nfs/dbraw/zinc/15/29/50/267152950.db2.gz AQYBYEMGGYBSQF-UHFFFAOYSA-N 1 2 267.332 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000368899672 267211781 /nfs/dbraw/zinc/21/17/81/267211781.db2.gz MHLWGPORZRXDGE-LBPRGKRZSA-N 1 2 272.776 1.452 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000368899672 267211784 /nfs/dbraw/zinc/21/17/84/267211784.db2.gz MHLWGPORZRXDGE-LBPRGKRZSA-N 1 2 272.776 1.452 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000372000228 267493772 /nfs/dbraw/zinc/49/37/72/267493772.db2.gz UIJMHAPQVYJTLP-JTQLQIEISA-N 1 2 284.747 1.454 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000372000228 267493775 /nfs/dbraw/zinc/49/37/75/267493775.db2.gz UIJMHAPQVYJTLP-JTQLQIEISA-N 1 2 284.747 1.454 20 30 CDEDLO C#C[C@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C(C)C ZINC000374279870 267773851 /nfs/dbraw/zinc/77/38/51/267773851.db2.gz MCLKGXKIVUFCNA-CABCVRRESA-N 1 2 287.363 1.902 20 30 CDEDLO CC(C)(C#N)CC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000376749504 268013375 /nfs/dbraw/zinc/01/33/75/268013375.db2.gz PRNRGQOYLBDGEP-GFCCVEGCSA-N 1 2 260.341 1.986 20 30 CDEDLO CC1(C)CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCS1 ZINC000330193185 278290917 /nfs/dbraw/zinc/29/09/17/278290917.db2.gz ODCPLMYUTJXZQX-NSHDSACASA-N 1 2 294.424 1.939 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3ncccn3)CC2)nc1 ZINC000555669724 290232622 /nfs/dbraw/zinc/23/26/22/290232622.db2.gz QECZSJUFYXUERN-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO N#Cc1cncc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000563036165 293251802 /nfs/dbraw/zinc/25/18/02/293251802.db2.gz GLVHBRXSLUECEI-LLVKDONJSA-N 1 2 254.297 1.803 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNc2ncc3c(c2C#N)CCC3)C1 ZINC000570565520 294261754 /nfs/dbraw/zinc/26/17/54/294261754.db2.gz ZNMSKUGDCYQDSU-LBPRGKRZSA-N 1 2 272.352 1.184 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNc2ncc3c(c2C#N)CCC3)C1 ZINC000570565520 294261757 /nfs/dbraw/zinc/26/17/57/294261757.db2.gz ZNMSKUGDCYQDSU-LBPRGKRZSA-N 1 2 272.352 1.184 20 30 CDEDLO Cn1c[nH+]c2c1CCN(Cc1ccc(C#N)cc1)C2 ZINC000372951531 294465842 /nfs/dbraw/zinc/46/58/42/294465842.db2.gz JOESZOAOXUEPOD-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO N#Cc1cncnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000572151400 294568800 /nfs/dbraw/zinc/56/88/00/294568800.db2.gz REWAMIBUMWEBQW-UHFFFAOYSA-N 1 2 269.308 1.263 20 30 CDEDLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329988808 303515148 /nfs/dbraw/zinc/51/51/48/303515148.db2.gz HMCPEPVFMQHEGE-KXNHARMFSA-N 1 2 276.340 1.496 20 30 CDEDLO COC(=O)c1cnoc1C[NH+]1CCC(CCC#N)CC1 ZINC000563066155 327867077 /nfs/dbraw/zinc/86/70/77/327867077.db2.gz KHLMARWSGLLXIG-UHFFFAOYSA-N 1 2 277.324 1.977 20 30 CDEDLO C[C@@H]1CCC[C@H](OCC(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000571407982 328119763 /nfs/dbraw/zinc/11/97/63/328119763.db2.gz JIGABDCJJRTBBP-IPYPFGDCSA-N 1 2 281.400 1.542 20 30 CDEDLO CS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000282235797 328241914 /nfs/dbraw/zinc/24/19/14/328241914.db2.gz PQDMFNFOWMVHOG-AWEZNQCLSA-N 1 2 294.376 1.208 20 30 CDEDLO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000282235797 328241916 /nfs/dbraw/zinc/24/19/16/328241916.db2.gz PQDMFNFOWMVHOG-AWEZNQCLSA-N 1 2 294.376 1.208 20 30 CDEDLO C=CC[C@@H](CO)C[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000340318044 328254927 /nfs/dbraw/zinc/25/49/27/328254927.db2.gz SSWIYVHAWRFBRN-PWSUYJOCSA-N 1 2 278.381 1.730 20 30 CDEDLO C=CCCn1cc(C(=O)NCc2cc(C)[nH+]c(C)c2)nn1 ZINC000424886645 328486708 /nfs/dbraw/zinc/48/67/08/328486708.db2.gz FXOQWRYPJPIIRS-UHFFFAOYSA-N 1 2 285.351 1.796 20 30 CDEDLO C=C(CC)CNC(=O)NCCCCn1cc[nH+]c1 ZINC000556552664 326950552 /nfs/dbraw/zinc/95/05/52/326950552.db2.gz YMEMJSPFBVLTAW-UHFFFAOYSA-N 1 2 250.346 1.929 20 30 CDEDLO C[C@H]([NH2+]CCC#N)C(=O)N1c2ccccc2C[C@@H]1C ZINC000557360444 327002944 /nfs/dbraw/zinc/00/29/44/327002944.db2.gz UICBLDMEZCGITD-RYUDHWBXSA-N 1 2 257.337 1.856 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(F)c(F)cc1F ZINC000584116576 327042184 /nfs/dbraw/zinc/04/21/84/327042184.db2.gz CWSKOZKIHIEBJN-CYBMUJFWSA-N 1 2 285.269 1.678 20 30 CDEDLO Cc1cc(C)n(C[C@H]2C[N@H+](CCCC#N)CCO2)n1 ZINC000105893382 327242792 /nfs/dbraw/zinc/24/27/92/327242792.db2.gz XPTIXGIOROBMHR-CQSZACIVSA-N 1 2 262.357 1.505 20 30 CDEDLO Cc1cc(C)n(C[C@H]2C[N@@H+](CCCC#N)CCO2)n1 ZINC000105893382 327242793 /nfs/dbraw/zinc/24/27/93/327242793.db2.gz XPTIXGIOROBMHR-CQSZACIVSA-N 1 2 262.357 1.505 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)N1CCC(CCC#N)CC1 ZINC000565022006 327393194 /nfs/dbraw/zinc/39/31/94/327393194.db2.gz WWCZHIWCCVZTBN-UHFFFAOYSA-N 1 2 260.341 1.505 20 30 CDEDLO Cc1ccc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1C ZINC000564731607 327450826 /nfs/dbraw/zinc/45/08/26/327450826.db2.gz NDNOVZXTOSWEEP-INIZCTEOSA-N 1 2 273.380 1.806 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccncc1Cl ZINC000570097758 327568973 /nfs/dbraw/zinc/56/89/73/327568973.db2.gz KMXUCXQMWDXDLV-GFCCVEGCSA-N 1 2 266.732 1.309 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCC1(C#N)CC1)CCC2 ZINC000570146302 327572250 /nfs/dbraw/zinc/57/22/50/327572250.db2.gz JYDOZODNGQPYQT-GFCCVEGCSA-N 1 2 287.367 1.672 20 30 CDEDLO N#CCCC[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000171394540 329073859 /nfs/dbraw/zinc/07/38/59/329073859.db2.gz SQNCMMSCPPWDID-UHFFFAOYSA-N 1 2 292.427 1.357 20 30 CDEDLO CC[C@@H](CC#N)[NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000582496083 329101013 /nfs/dbraw/zinc/10/10/13/329101013.db2.gz WZMWUQOIEBYREA-ZFWWWQNUSA-N 1 2 282.347 1.945 20 30 CDEDLO N#CCCCS(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177727221 329186635 /nfs/dbraw/zinc/18/66/35/329186635.db2.gz NPHRSLANQOZQHM-UHFFFAOYSA-N 1 2 278.337 1.057 20 30 CDEDLO C#CCCCCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000180284496 329219450 /nfs/dbraw/zinc/21/94/50/329219450.db2.gz UODGXFIMIYGVBX-HNNXBMFYSA-N 1 2 278.396 1.503 20 30 CDEDLO C#C[C@@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000187724418 329362781 /nfs/dbraw/zinc/36/27/81/329362781.db2.gz LPUJTIKUHJTBJN-LLVKDONJSA-N 1 2 286.310 1.832 20 30 CDEDLO C=C(C)COCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119647540 330378193 /nfs/dbraw/zinc/37/81/93/330378193.db2.gz YLRLWQDDIBYOQH-GFCCVEGCSA-N 1 2 263.341 1.154 20 30 CDEDLO Cn1c(C[NH+]2CCC(C#N)CC2)nc2ccccc2c1=O ZINC000195515435 331174865 /nfs/dbraw/zinc/17/48/65/331174865.db2.gz POPJKWSOZAMJBA-UHFFFAOYSA-N 1 2 282.347 1.669 20 30 CDEDLO C=CCN(CCOC)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000459058680 331268744 /nfs/dbraw/zinc/26/87/44/331268744.db2.gz MTOLCJLNOXUXLY-GFCCVEGCSA-N 1 2 280.372 1.808 20 30 CDEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000489443549 332052691 /nfs/dbraw/zinc/05/26/91/332052691.db2.gz CLEWQDDVGPRDIN-GFCCVEGCSA-N 1 2 258.325 1.563 20 30 CDEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000489443549 332052693 /nfs/dbraw/zinc/05/26/93/332052693.db2.gz CLEWQDDVGPRDIN-GFCCVEGCSA-N 1 2 258.325 1.563 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cnc(C)s1 ZINC000490614517 332095335 /nfs/dbraw/zinc/09/53/35/332095335.db2.gz ACHZAHYEDYOULE-NSHDSACASA-N 1 2 264.350 1.706 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cnc(C)s1 ZINC000490614517 332095337 /nfs/dbraw/zinc/09/53/37/332095337.db2.gz ACHZAHYEDYOULE-NSHDSACASA-N 1 2 264.350 1.706 20 30 CDEDLO C#CC[N@H+](CC#CC)CCN1C(=O)c2ccccc2C1=O ZINC000490712058 332106830 /nfs/dbraw/zinc/10/68/30/332106830.db2.gz CXKQHTGJFIDVFM-UHFFFAOYSA-N 1 2 280.327 1.241 20 30 CDEDLO C#CC[N@@H+](CC#CC)CCN1C(=O)c2ccccc2C1=O ZINC000490712058 332106831 /nfs/dbraw/zinc/10/68/31/332106831.db2.gz CXKQHTGJFIDVFM-UHFFFAOYSA-N 1 2 280.327 1.241 20 30 CDEDLO C#CCNC(=O)[C@H](C)O[NH+]=C(N)Cc1ccccc1C ZINC000490760196 332112992 /nfs/dbraw/zinc/11/29/92/332112992.db2.gz JZGYTYITDXOZIA-LBPRGKRZSA-N 1 2 273.336 1.174 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C)cc2F)CC1 ZINC000490762069 332113736 /nfs/dbraw/zinc/11/37/36/332113736.db2.gz ZZXBJJJYVIRVCT-UHFFFAOYSA-N 1 2 289.354 1.323 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(CC)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000490897307 332126871 /nfs/dbraw/zinc/12/68/71/332126871.db2.gz BGGJAQWEKGUTTR-GFCCVEGCSA-N 1 2 297.445 1.933 20 30 CDEDLO C#CC[N@H+](Cc1ccc(CC)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000490897307 332126873 /nfs/dbraw/zinc/12/68/73/332126873.db2.gz BGGJAQWEKGUTTR-GFCCVEGCSA-N 1 2 297.445 1.933 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CC)n2C(C)C)CC1 ZINC000491251627 332174092 /nfs/dbraw/zinc/17/40/92/332174092.db2.gz AXERXFKFTDIVJH-UHFFFAOYSA-N 1 2 261.373 1.177 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@H](O)Cc1cccc(Cl)c1 ZINC000491372417 332199084 /nfs/dbraw/zinc/19/90/84/332199084.db2.gz JHEKKSQJEBNRIE-LSDHHAIUSA-N 1 2 279.767 1.577 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](O)Cc1cccc(Cl)c1 ZINC000491372417 332199085 /nfs/dbraw/zinc/19/90/85/332199085.db2.gz JHEKKSQJEBNRIE-LSDHHAIUSA-N 1 2 279.767 1.577 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(C)c(F)c2)CC1 ZINC000491441530 332212432 /nfs/dbraw/zinc/21/24/32/332212432.db2.gz WMGGBQWUQJCMAU-UHFFFAOYSA-N 1 2 290.338 1.290 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000491464531 332216942 /nfs/dbraw/zinc/21/69/42/332216942.db2.gz RMLVBXIBELRKSY-GFCCVEGCSA-N 1 2 282.347 1.969 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000491464531 332216944 /nfs/dbraw/zinc/21/69/44/332216944.db2.gz RMLVBXIBELRKSY-GFCCVEGCSA-N 1 2 282.347 1.969 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000491514728 332226801 /nfs/dbraw/zinc/22/68/01/332226801.db2.gz JSARJTBYVMDIKU-GFCCVEGCSA-N 1 2 270.336 1.806 20 30 CDEDLO C#CCn1ccc(CN(CC)C(=O)/C=C/c2[nH]cc[nH+]2)n1 ZINC000491618994 332245172 /nfs/dbraw/zinc/24/51/72/332245172.db2.gz DLCYUEYKPDQVTP-AATRIKPKSA-N 1 2 283.335 1.301 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCCCc1ccccc1)C1CC1 ZINC000491725507 332309465 /nfs/dbraw/zinc/30/94/65/332309465.db2.gz BSBQMTTULNABQT-UHFFFAOYSA-N 1 2 270.376 1.833 20 30 CDEDLO C#CC[N@H+](CC(=O)NCCCc1ccccc1)C1CC1 ZINC000491725507 332309466 /nfs/dbraw/zinc/30/94/66/332309466.db2.gz BSBQMTTULNABQT-UHFFFAOYSA-N 1 2 270.376 1.833 20 30 CDEDLO C#C[C@H](C)N(C)c1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000491752080 332328115 /nfs/dbraw/zinc/32/81/15/332328115.db2.gz YXPMOLTVZUDDBM-XQQFMLRXSA-N 1 2 274.368 1.142 20 30 CDEDLO C#C[C@H](C)N(C)c1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000491752080 332328117 /nfs/dbraw/zinc/32/81/17/332328117.db2.gz YXPMOLTVZUDDBM-XQQFMLRXSA-N 1 2 274.368 1.142 20 30 CDEDLO C#C[C@H](C)[N@H+](C)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000491769817 332336778 /nfs/dbraw/zinc/33/67/78/332336778.db2.gz OGBPYIGOLFCZTC-FZMZJTMJSA-N 1 2 281.377 1.077 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000491769817 332336779 /nfs/dbraw/zinc/33/67/79/332336779.db2.gz OGBPYIGOLFCZTC-FZMZJTMJSA-N 1 2 281.377 1.077 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000491813257 332365098 /nfs/dbraw/zinc/36/50/98/332365098.db2.gz GYMYCPTYMJUQSZ-JTQLQIEISA-N 1 2 276.292 1.915 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000491813257 332365100 /nfs/dbraw/zinc/36/51/00/332365100.db2.gz GYMYCPTYMJUQSZ-JTQLQIEISA-N 1 2 276.292 1.915 20 30 CDEDLO CC1(C)CCCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H]1C#N ZINC000492865094 332416760 /nfs/dbraw/zinc/41/67/60/332416760.db2.gz OGKPYHFBLRYOJE-RXNFCKPNSA-N 1 2 258.325 1.964 20 30 CDEDLO COc1cccc(/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000493061528 332424856 /nfs/dbraw/zinc/42/48/56/332424856.db2.gz ZKPCILREQGCFHE-HLRDLLSLSA-N 1 2 287.363 1.668 20 30 CDEDLO C=CCn1cc(CNC(=O)/C=C/c2[nH+]ccn2CC)nn1 ZINC000493225672 332431368 /nfs/dbraw/zinc/43/13/68/332431368.db2.gz FGEIUNSEMUWFJR-AATRIKPKSA-N 1 2 286.339 1.010 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)CCNC(C)=O)c1C ZINC000575800098 335116332 /nfs/dbraw/zinc/11/63/32/335116332.db2.gz FHOKJRDOMSFQHS-UHFFFAOYSA-N 1 2 291.395 1.542 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)CCNC(C)=O)c1C ZINC000575800098 335116333 /nfs/dbraw/zinc/11/63/33/335116333.db2.gz FHOKJRDOMSFQHS-UHFFFAOYSA-N 1 2 291.395 1.542 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000192227555 333233188 /nfs/dbraw/zinc/23/31/88/333233188.db2.gz CUOGNYXWRQRASN-LBPRGKRZSA-N 1 2 262.328 1.910 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000192227555 333233190 /nfs/dbraw/zinc/23/31/90/333233190.db2.gz CUOGNYXWRQRASN-LBPRGKRZSA-N 1 2 262.328 1.910 20 30 CDEDLO C=CC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000524696484 333371653 /nfs/dbraw/zinc/37/16/53/333371653.db2.gz NRBYDYQUBJVHQT-UHFFFAOYSA-N 1 2 283.335 1.701 20 30 CDEDLO N#CCC1CC[NH+]([C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000541020055 333759246 /nfs/dbraw/zinc/75/92/46/333759246.db2.gz IDGQVYNHZUDHRT-AWEZNQCLSA-N 1 2 275.327 1.978 20 30 CDEDLO Cn1cc(-c2ncc(C[NH2+]CC3(C#N)CC3)cn2)cn1 ZINC000564316143 334077536 /nfs/dbraw/zinc/07/75/36/334077536.db2.gz RFYYBVUTOZSRFB-UHFFFAOYSA-N 1 2 268.324 1.270 20 30 CDEDLO CC#CCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000135119353 334116450 /nfs/dbraw/zinc/11/64/50/334116450.db2.gz IIANTHIFIJNZMJ-UHFFFAOYSA-N 1 2 282.347 1.754 20 30 CDEDLO C[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H](CO)O1 ZINC000249382617 334332914 /nfs/dbraw/zinc/33/29/14/334332914.db2.gz QRFGENAVAAENMG-WFASDCNBSA-N 1 2 279.767 1.773 20 30 CDEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H](CO)O1 ZINC000249382617 334332915 /nfs/dbraw/zinc/33/29/15/334332915.db2.gz QRFGENAVAAENMG-WFASDCNBSA-N 1 2 279.767 1.773 20 30 CDEDLO C=CCNC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000553183485 334367273 /nfs/dbraw/zinc/36/72/73/334367273.db2.gz KBAYFXAOOXQPSA-MRVPVSSYSA-N 1 2 261.247 1.758 20 30 CDEDLO C=CCn1c(CC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000554633785 334444001 /nfs/dbraw/zinc/44/40/01/334444001.db2.gz ZDTKOVPYHAOLHK-UHFFFAOYSA-N 1 2 298.394 1.748 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1ccccc1F ZINC000566428544 334648223 /nfs/dbraw/zinc/64/82/23/334648223.db2.gz IDOSFVKMJJSZDP-LBPRGKRZSA-N 1 2 263.316 1.724 20 30 CDEDLO C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1cccs1 ZINC000577161569 335312591 /nfs/dbraw/zinc/31/25/91/335312591.db2.gz VTIPAFWGMXLFKS-ZWNOBZJWSA-N 1 2 265.382 1.812 20 30 CDEDLO CC[C@@H]1C[C@@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)CCO1 ZINC000577223663 335325801 /nfs/dbraw/zinc/32/58/01/335325801.db2.gz IBMWIJZEDBVVMI-GUTXKFCHSA-N 1 2 281.400 1.542 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CN1CCc2ccccc21 ZINC000581313940 336046734 /nfs/dbraw/zinc/04/67/34/336046734.db2.gz WWZGVZQZRYKOGV-MRXNPFEDSA-N 1 2 286.379 1.009 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](F)CC ZINC001732588371 1160043494 /nfs/dbraw/zinc/04/34/94/1160043494.db2.gz KBPQWDITYLWSSL-JTQLQIEISA-N 1 2 250.745 1.877 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](F)CC ZINC001732588371 1160043502 /nfs/dbraw/zinc/04/35/02/1160043502.db2.gz KBPQWDITYLWSSL-JTQLQIEISA-N 1 2 250.745 1.877 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001010060795 687340677 /nfs/dbraw/zinc/34/06/77/687340677.db2.gz OQEWTWSZABHZKX-MNOVXSKESA-N 1 2 258.749 1.108 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001010060795 687340685 /nfs/dbraw/zinc/34/06/85/687340685.db2.gz OQEWTWSZABHZKX-MNOVXSKESA-N 1 2 258.749 1.108 20 30 CDEDLO C=C[C@@H](O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000668270169 482305546 /nfs/dbraw/zinc/30/55/46/482305546.db2.gz CEFMMSXBABOCFP-IUODEOHRSA-N 1 2 290.363 1.565 20 30 CDEDLO C=C[C@@H](O)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000669334352 482706658 /nfs/dbraw/zinc/70/66/58/482706658.db2.gz CZLGUVNLLAXZJX-ZIAGYGMSSA-N 1 2 285.347 1.367 20 30 CDEDLO C=CCN1CC[C@@H]([NH+]2CC(c3nc4ccccc4[nH]3)C2)C1=O ZINC000685003748 483067682 /nfs/dbraw/zinc/06/76/82/483067682.db2.gz NOAZCDLYDDCFKD-OAHLLOKOSA-N 1 2 296.374 1.749 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CCCCO1 ZINC001753045760 1185015253 /nfs/dbraw/zinc/01/52/53/1185015253.db2.gz CDSXWYWWXLZLEU-LLVKDONJSA-N 1 2 260.765 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CCCCO1 ZINC001753045760 1185015261 /nfs/dbraw/zinc/01/52/61/1185015261.db2.gz CDSXWYWWXLZLEU-LLVKDONJSA-N 1 2 260.765 1.356 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)CCc2nc(C)cs2)C1 ZINC001753383043 1185178988 /nfs/dbraw/zinc/17/89/88/1185178988.db2.gz PCVQHBYDUFLODI-UHFFFAOYSA-N 1 2 279.409 1.761 20 30 CDEDLO C[C@]1(O)CCCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000329062832 534183518 /nfs/dbraw/zinc/18/35/18/534183518.db2.gz OBBVTYOXHQHVDD-DOMZBBRYSA-N 1 2 292.383 1.521 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCC(C)(F)F)CC1 ZINC001113031955 1162077734 /nfs/dbraw/zinc/07/77/34/1162077734.db2.gz OBNBGHZLLIXNST-UHFFFAOYSA-N 1 2 258.312 1.589 20 30 CDEDLO COCC[C@@H]1COCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000365839463 521891789 /nfs/dbraw/zinc/89/17/89/521891789.db2.gz UHAILTLDJLGWIE-CQSZACIVSA-N 1 2 278.327 1.935 20 30 CDEDLO COCC[C@@H]1COCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000365839463 521891795 /nfs/dbraw/zinc/89/17/95/521891795.db2.gz UHAILTLDJLGWIE-CQSZACIVSA-N 1 2 278.327 1.935 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCCc2ccccn2)CC1 ZINC001113570525 1162225327 /nfs/dbraw/zinc/22/53/27/1162225327.db2.gz WMSSBDSDHQCINH-UHFFFAOYSA-N 1 2 285.391 1.572 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)CNc1ccc(C#N)cc1 ZINC000339184610 523590872 /nfs/dbraw/zinc/59/08/72/523590872.db2.gz RIPPGPFLBIGVGL-UHFFFAOYSA-N 1 2 283.335 1.362 20 30 CDEDLO O=C(NC[C@H]1CCCCO1)C1([NH+]2CCOCC2)CCC1 ZINC000329122315 534754724 /nfs/dbraw/zinc/75/47/24/534754724.db2.gz WRAGNSDORUPUJQ-CYBMUJFWSA-N 1 2 282.384 1.767 20 30 CDEDLO C=CCCS(=O)(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000352596184 527417749 /nfs/dbraw/zinc/41/77/49/527417749.db2.gz IXDURYMRWBLSNH-LLVKDONJSA-N 1 2 269.370 1.367 20 30 CDEDLO C=CCC[C@H](O)C[NH2+][C@@H](C)c1noc(COC(C)C)n1 ZINC000352681710 527494642 /nfs/dbraw/zinc/49/46/42/527494642.db2.gz YYEGFBNPYGRPRJ-RYUDHWBXSA-N 1 2 283.372 1.972 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000332408559 528692527 /nfs/dbraw/zinc/69/25/27/528692527.db2.gz YWNYXCGCCYUKNU-CHWSQXEVSA-N 1 2 289.383 1.555 20 30 CDEDLO CC[N@@H+](Cc1cc(C(=O)OC)n(C)c1)C[C@@H](C)C#N ZINC000347613536 528765033 /nfs/dbraw/zinc/76/50/33/528765033.db2.gz ONXIZYYHMYSDRN-NSHDSACASA-N 1 2 263.341 1.793 20 30 CDEDLO CC[N@H+](Cc1cc(C(=O)OC)n(C)c1)C[C@@H](C)C#N ZINC000347613536 528765038 /nfs/dbraw/zinc/76/50/38/528765038.db2.gz ONXIZYYHMYSDRN-NSHDSACASA-N 1 2 263.341 1.793 20 30 CDEDLO CCC[N@H+](CC(=O)NC)Cc1ccc(F)cc1C#N ZINC000103226795 535278853 /nfs/dbraw/zinc/27/88/53/535278853.db2.gz DJJGDWUUSDIOQI-UHFFFAOYSA-N 1 2 263.316 1.655 20 30 CDEDLO COC(=O)C[N@H+](Cc1ccc(C#N)c(OC)c1)C(C)C ZINC000234517016 536466376 /nfs/dbraw/zinc/46/63/76/536466376.db2.gz ZBUKVQRRXVLJNK-UHFFFAOYSA-N 1 2 276.336 1.950 20 30 CDEDLO COC(=O)C[N@@H+](Cc1ccc(C#N)c(OC)c1)C(C)C ZINC000234517016 536466380 /nfs/dbraw/zinc/46/63/80/536466380.db2.gz ZBUKVQRRXVLJNK-UHFFFAOYSA-N 1 2 276.336 1.950 20 30 CDEDLO Cc1ccc(N2CC[C@@H]([NH2+][C@H](C)CC#N)C2=O)cc1 ZINC000743479382 574435642 /nfs/dbraw/zinc/43/56/42/574435642.db2.gz JNQOBKSUZQXLLB-TZMCWYRMSA-N 1 2 257.337 1.992 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(OCC(N)=O)cc1 ZINC000725796622 574436969 /nfs/dbraw/zinc/43/69/69/574436969.db2.gz NSPDFYFXEJDKQH-LLVKDONJSA-N 1 2 261.325 1.142 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(OCC(N)=O)cc1 ZINC000725796622 574436970 /nfs/dbraw/zinc/43/69/70/574436970.db2.gz NSPDFYFXEJDKQH-LLVKDONJSA-N 1 2 261.325 1.142 20 30 CDEDLO C/C=C(\C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000751192511 574634264 /nfs/dbraw/zinc/63/42/64/574634264.db2.gz HZMAVKSLGHESBA-QLKAYGNNSA-N 1 2 265.357 1.027 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC(C)C)nc1 ZINC000730279487 574909058 /nfs/dbraw/zinc/90/90/58/574909058.db2.gz CYCAYLVTSKEPHC-AWEZNQCLSA-N 1 2 287.363 1.905 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC(C)C)nc1 ZINC000730279487 574909060 /nfs/dbraw/zinc/90/90/60/574909060.db2.gz CYCAYLVTSKEPHC-AWEZNQCLSA-N 1 2 287.363 1.905 20 30 CDEDLO CC[N@H+](C[C@@H]1CCCO1)Cn1ccc(C)c(C#N)c1=O ZINC000758199860 574915134 /nfs/dbraw/zinc/91/51/34/574915134.db2.gz UTMHCUPDYREWBD-ZDUSSCGKSA-N 1 2 275.352 1.487 20 30 CDEDLO CC[N@@H+](C[C@@H]1CCCO1)Cn1ccc(C)c(C#N)c1=O ZINC000758199860 574915136 /nfs/dbraw/zinc/91/51/36/574915136.db2.gz UTMHCUPDYREWBD-ZDUSSCGKSA-N 1 2 275.352 1.487 20 30 CDEDLO C=CCNC(=S)NN=CCCc1ccc(C)[nH+]c1 ZINC000774319558 575198847 /nfs/dbraw/zinc/19/88/47/575198847.db2.gz FMNUUMBMPKZBNI-UHFFFAOYSA-N 1 2 262.382 1.959 20 30 CDEDLO Cc1cnc(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)cn1 ZINC000732203773 575083466 /nfs/dbraw/zinc/08/34/66/575083466.db2.gz IEAOSYMHOHWXOY-OAHLLOKOSA-N 1 2 273.384 1.451 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Cc2ccc(C(C)=O)cc2)CC1 ZINC000733161736 575102910 /nfs/dbraw/zinc/10/29/10/575102910.db2.gz YEEHOBRCSCMJII-UHFFFAOYSA-N 1 2 284.359 1.209 20 30 CDEDLO N#CCCN1CC[NH+](C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000760945152 576527650 /nfs/dbraw/zinc/52/76/50/576527650.db2.gz WJTMOWFFIFORDD-HNNXBMFYSA-N 1 2 295.333 1.529 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCc2ccnc(OC)c2)cc1 ZINC000762462506 576646677 /nfs/dbraw/zinc/64/66/77/576646677.db2.gz MOUSZLZGGMFTQC-UHFFFAOYSA-N 1 2 287.319 1.936 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)c1cccc2[nH+]ccn21 ZINC000770411487 575447330 /nfs/dbraw/zinc/44/73/30/575447330.db2.gz HLQNIXZVJZFHHW-LLVKDONJSA-N 1 2 256.309 1.956 20 30 CDEDLO N#C[C@]1(NC(=O)c2cccc3[nH+]ccn32)CCSC1 ZINC000770414361 575447540 /nfs/dbraw/zinc/44/75/40/575447540.db2.gz HKBQZKCSOBLGME-CYBMUJFWSA-N 1 2 272.333 1.463 20 30 CDEDLO Cc1nnc([C@@H](C)O[NH+]=C(N)c2ccc(F)cc2)o1 ZINC000735919266 575535292 /nfs/dbraw/zinc/53/52/92/575535292.db2.gz JKGWVQMYWYKFSJ-SSDOTTSWSA-N 1 2 264.260 1.915 20 30 CDEDLO CCCCCCN(CC[NH+]1CCOCC1)C(=O)[C@H](C)C#N ZINC000736671779 575715955 /nfs/dbraw/zinc/71/59/55/575715955.db2.gz GYKRAKVJPDDYPI-OAHLLOKOSA-N 1 2 295.427 1.887 20 30 CDEDLO C#C[C@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)[C@@H]1CCCO1 ZINC000772892977 575765563 /nfs/dbraw/zinc/76/55/63/575765563.db2.gz PGGSGMZRJVLIAC-GJZGRUSLSA-N 1 2 297.358 1.482 20 30 CDEDLO C=CCn1nnn(C[NH+]2CCC(C)(COC)CC2)c1=S ZINC000773269725 575796317 /nfs/dbraw/zinc/79/63/17/575796317.db2.gz SKUCVCGFBXFCAD-UHFFFAOYSA-N 1 2 297.428 1.701 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1n[nH]c2cc(OC)ccc21 ZINC000773864726 575842100 /nfs/dbraw/zinc/84/21/00/575842100.db2.gz XADSGTAWVSAFEY-AWEZNQCLSA-N 1 2 298.346 1.608 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1n[nH]c2cc(OC)ccc21 ZINC000773864726 575842101 /nfs/dbraw/zinc/84/21/01/575842101.db2.gz XADSGTAWVSAFEY-AWEZNQCLSA-N 1 2 298.346 1.608 20 30 CDEDLO Nc1ncccc1C=[NH+]Nc1ccc(-n2cccn2)nn1 ZINC000764682291 575933624 /nfs/dbraw/zinc/93/36/24/575933624.db2.gz KTRYXLLEDDFCQG-UHFFFAOYSA-N 1 2 280.295 1.086 20 30 CDEDLO C#CCC[NH+]1CCN(S(=O)(=O)CC2CCCC2)CC1 ZINC000765170642 575993909 /nfs/dbraw/zinc/99/39/09/575993909.db2.gz AWKQQZLDIOCNRW-UHFFFAOYSA-N 1 2 284.425 1.147 20 30 CDEDLO C#CCOC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741355162 576553844 /nfs/dbraw/zinc/55/38/44/576553844.db2.gz NJYFBCXOMDBVBL-OAHLLOKOSA-N 1 2 273.332 1.454 20 30 CDEDLO C#CCOC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741355162 576553846 /nfs/dbraw/zinc/55/38/46/576553846.db2.gz NJYFBCXOMDBVBL-OAHLLOKOSA-N 1 2 273.332 1.454 20 30 CDEDLO C#CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741386878 576554832 /nfs/dbraw/zinc/55/48/32/576554832.db2.gz WRGTVYMRRQECKZ-CQSZACIVSA-N 1 2 259.305 1.064 20 30 CDEDLO C#CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741386878 576554833 /nfs/dbraw/zinc/55/48/33/576554833.db2.gz WRGTVYMRRQECKZ-CQSZACIVSA-N 1 2 259.305 1.064 20 30 CDEDLO CCc1noc(CO[NH+]=C(N)c2ccc(F)c(C)c2)n1 ZINC000742353910 576596516 /nfs/dbraw/zinc/59/65/16/576596516.db2.gz GKPOCGCSJXUVIS-UHFFFAOYSA-N 1 2 278.287 1.917 20 30 CDEDLO CC(N=NC1=[NH+][C@@H]2CCCC[C@H]2N1)C1CCOCC1 ZINC000753934818 576866868 /nfs/dbraw/zinc/86/68/68/576866868.db2.gz KFBFDGVMRJYONO-CHWSQXEVSA-N 1 2 264.373 1.649 20 30 CDEDLO C#CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000754021367 576873984 /nfs/dbraw/zinc/87/39/84/576873984.db2.gz QSEYBKXFHGODGD-UHFFFAOYSA-N 1 2 257.337 1.711 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000747680980 576880316 /nfs/dbraw/zinc/88/03/16/576880316.db2.gz DPFMLZWPRDOOQD-UHFFFAOYSA-N 1 2 266.794 1.095 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)COc1cccc(C#N)c1 ZINC000748405249 576911071 /nfs/dbraw/zinc/91/10/71/576911071.db2.gz HRKFKCZKMSMLEN-UHFFFAOYSA-N 1 2 270.292 1.285 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000755262904 576937852 /nfs/dbraw/zinc/93/78/52/576937852.db2.gz NONWOTKAIIHWEQ-MRXNPFEDSA-N 1 2 286.375 1.069 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000755262904 576937853 /nfs/dbraw/zinc/93/78/53/576937853.db2.gz NONWOTKAIIHWEQ-MRXNPFEDSA-N 1 2 286.375 1.069 20 30 CDEDLO Cc1[nH+]c[nH]c1CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000755464596 576945882 /nfs/dbraw/zinc/94/58/82/576945882.db2.gz QFRBYTRKAPVJRP-UHFFFAOYSA-N 1 2 290.239 1.981 20 30 CDEDLO CNC(=S)NN=Cc1[nH+]c(C(C)C)n2ccccc12 ZINC000755470362 576946205 /nfs/dbraw/zinc/94/62/05/576946205.db2.gz AFKKVTPINLTORV-UHFFFAOYSA-N 1 2 275.381 1.886 20 30 CDEDLO COC1CC[NH+](Cn2ccc(C)c(C#N)c2=O)CC1 ZINC000758184000 577078294 /nfs/dbraw/zinc/07/82/94/577078294.db2.gz CQLNMQXQQGTNOO-UHFFFAOYSA-N 1 2 261.325 1.097 20 30 CDEDLO C#CCNC(=S)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000758192909 577079974 /nfs/dbraw/zinc/07/99/74/577079974.db2.gz GFHJBGZQHFGMDN-UHFFFAOYSA-N 1 2 274.393 1.279 20 30 CDEDLO Cc1ccn(C[N@@H+]2CCOCC3(CCC3)C2)c(=O)c1C#N ZINC000758987171 577145686 /nfs/dbraw/zinc/14/56/86/577145686.db2.gz LOWQUSZPKJIWKE-UHFFFAOYSA-N 1 2 287.363 1.488 20 30 CDEDLO Cc1ccn(C[N@H+]2CCOCC3(CCC3)C2)c(=O)c1C#N ZINC000758987171 577145689 /nfs/dbraw/zinc/14/56/89/577145689.db2.gz LOWQUSZPKJIWKE-UHFFFAOYSA-N 1 2 287.363 1.488 20 30 CDEDLO C[NH+](C)C1CC[NH+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000830591787 604959872 /nfs/dbraw/zinc/95/98/72/604959872.db2.gz LULWOWDLDCXFCP-HNNXBMFYSA-N 1 2 287.363 1.710 20 30 CDEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000826381043 608580316 /nfs/dbraw/zinc/58/03/16/608580316.db2.gz VTRUXQBESRVFOD-GXFFZTMASA-N 1 2 286.314 1.788 20 30 CDEDLO CN(C)c1ccncc1C=[NH+]NCCOCC(F)(F)F ZINC000776187650 617603387 /nfs/dbraw/zinc/60/33/87/617603387.db2.gz WIAHXGIXCTZSDH-UHFFFAOYSA-N 1 2 290.289 1.650 20 30 CDEDLO CN(C)c1cc[nH+]cc1C=NNCCOCC(F)(F)F ZINC000776187650 617603392 /nfs/dbraw/zinc/60/33/92/617603392.db2.gz WIAHXGIXCTZSDH-UHFFFAOYSA-N 1 2 290.289 1.650 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)C3CC3)C2)C1 ZINC000972695716 613211183 /nfs/dbraw/zinc/21/11/83/613211183.db2.gz UNLPYXMPISCMMQ-YOEHRIQHSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)C3CC3)C2)C1 ZINC000972695716 613211185 /nfs/dbraw/zinc/21/11/85/613211185.db2.gz UNLPYXMPISCMMQ-YOEHRIQHSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)C=CCC3)C2)C1 ZINC000972507161 613211496 /nfs/dbraw/zinc/21/14/96/613211496.db2.gz WVNFQVLEIXXPKQ-IRXDYDNUSA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)C=CCC3)C2)C1 ZINC000972507161 613211498 /nfs/dbraw/zinc/21/14/98/613211498.db2.gz WVNFQVLEIXXPKQ-IRXDYDNUSA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCC3CCC3)C2)C1 ZINC000972321774 613212427 /nfs/dbraw/zinc/21/24/27/613212427.db2.gz XGCMTVKOARHKRO-QGZVFWFLSA-N 1 2 290.407 1.503 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCC3CCC3)C2)C1 ZINC000972321774 613212428 /nfs/dbraw/zinc/21/24/28/613212428.db2.gz XGCMTVKOARHKRO-QGZVFWFLSA-N 1 2 290.407 1.503 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(F)s2)C1 ZINC000968691081 613253818 /nfs/dbraw/zinc/25/38/18/613253818.db2.gz CTJSMCHJTNEFDG-WDEREUQCSA-N 1 2 280.368 1.961 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(F)s2)C1 ZINC000968691081 613253820 /nfs/dbraw/zinc/25/38/20/613253820.db2.gz CTJSMCHJTNEFDG-WDEREUQCSA-N 1 2 280.368 1.961 20 30 CDEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCOC1 ZINC000948894883 613279762 /nfs/dbraw/zinc/27/97/62/613279762.db2.gz RDZQTHFWHFZBMR-NVXWUHKLSA-N 1 2 298.386 1.372 20 30 CDEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCOC1 ZINC000948894883 613279763 /nfs/dbraw/zinc/27/97/63/613279763.db2.gz RDZQTHFWHFZBMR-NVXWUHKLSA-N 1 2 298.386 1.372 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCCC(=O)N2)C1 ZINC000951733059 613295227 /nfs/dbraw/zinc/29/52/27/613295227.db2.gz MOWKNVHNFIROOW-CQSZACIVSA-N 1 2 293.411 1.154 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000950004534 613295393 /nfs/dbraw/zinc/29/53/93/613295393.db2.gz BCOSRZCHICSGAW-RYUDHWBXSA-N 1 2 272.339 1.996 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cccc(OC)n2)C1 ZINC000957076953 613296883 /nfs/dbraw/zinc/29/68/83/613296883.db2.gz KUNFOXUOCUMPSX-UHFFFAOYSA-N 1 2 289.379 1.813 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnn3cc[nH]c23)C1 ZINC000957320846 613297249 /nfs/dbraw/zinc/29/72/49/613297249.db2.gz PWMAUQXLYDPSKQ-UHFFFAOYSA-N 1 2 287.367 1.385 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2nccc3cccnc32)CC1 ZINC000948818996 613322343 /nfs/dbraw/zinc/32/23/43/613322343.db2.gz QLECBDARYGMCGA-UHFFFAOYSA-N 1 2 296.374 1.964 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2=COCCC2)C1 ZINC000969372811 613371444 /nfs/dbraw/zinc/37/14/44/613371444.db2.gz JOAAVHBVXSUXMX-LLVKDONJSA-N 1 2 284.787 1.870 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnc(C)[nH]2)C1 ZINC000969398319 613371806 /nfs/dbraw/zinc/37/18/06/613371806.db2.gz DDSSCLQVSCOLGW-SECBINFHSA-N 1 2 282.775 1.521 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cn(C)cn2)C1 ZINC000969496257 613371813 /nfs/dbraw/zinc/37/18/13/613371813.db2.gz CHAJAWVHOVIGCQ-SNVBAGLBSA-N 1 2 282.775 1.223 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC000965618644 613375536 /nfs/dbraw/zinc/37/55/36/613375536.db2.gz AHDWBNXJHKXBID-RNCFNFMXSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC000965618644 613375537 /nfs/dbraw/zinc/37/55/37/613375537.db2.gz AHDWBNXJHKXBID-RNCFNFMXSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC000965958816 613378105 /nfs/dbraw/zinc/37/81/05/613378105.db2.gz PDLUBIVWHUOQAO-GXSJLCMTSA-N 1 2 297.790 1.008 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC000965958816 613378106 /nfs/dbraw/zinc/37/81/06/613378106.db2.gz PDLUBIVWHUOQAO-GXSJLCMTSA-N 1 2 297.790 1.008 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c([C@@H](C)O)c1 ZINC000804801678 617334126 /nfs/dbraw/zinc/33/41/26/617334126.db2.gz BMXKKYBWVOJZKD-ABAIWWIYSA-N 1 2 290.338 1.915 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c([C@@H](C)O)c1 ZINC000804801678 617334127 /nfs/dbraw/zinc/33/41/27/617334127.db2.gz BMXKKYBWVOJZKD-ABAIWWIYSA-N 1 2 290.338 1.915 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC2(C)C)CC1 ZINC000974990082 613410609 /nfs/dbraw/zinc/41/06/09/613410609.db2.gz WMZUYJDEUVOYOK-CYBMUJFWSA-N 1 2 293.411 1.045 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC2(C)C)CC1 ZINC000974990082 613410614 /nfs/dbraw/zinc/41/06/14/613410614.db2.gz WMZUYJDEUVOYOK-CYBMUJFWSA-N 1 2 293.411 1.045 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2ccc(C)nc2)CC1 ZINC000957667888 613563249 /nfs/dbraw/zinc/56/32/49/613563249.db2.gz YNOLQIDJJHGMRH-UHFFFAOYSA-N 1 2 271.364 1.100 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC34CC4)C2)C1 ZINC000972570231 613570793 /nfs/dbraw/zinc/57/07/93/613570793.db2.gz VJHRTNZAUKNEHI-WMLDXEAASA-N 1 2 288.391 1.113 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC34CC4)C2)C1 ZINC000972570231 613570796 /nfs/dbraw/zinc/57/07/96/613570796.db2.gz VJHRTNZAUKNEHI-WMLDXEAASA-N 1 2 288.391 1.113 20 30 CDEDLO C=CC(C)(C)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000891266683 617393280 /nfs/dbraw/zinc/39/32/80/617393280.db2.gz GJCOWSMEGLPLPB-ZRDIBKRKSA-N 1 2 252.358 1.346 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2c(C)ccn2C)C1 ZINC000949952137 613655957 /nfs/dbraw/zinc/65/59/57/613655957.db2.gz IMUNBXXQKCSLAJ-UHFFFAOYSA-N 1 2 261.369 1.666 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)OC)CC1 ZINC000957712117 613712264 /nfs/dbraw/zinc/71/22/64/613712264.db2.gz KNBDSADFXHTOPD-INIZCTEOSA-N 1 2 288.391 1.574 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](OC)C2CCC2)CC1 ZINC000949515741 613712729 /nfs/dbraw/zinc/71/27/29/613712729.db2.gz GPWLCBAPTYGYIF-CYBMUJFWSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]nc2-c2ccoc2)CC1 ZINC000949453369 613714389 /nfs/dbraw/zinc/71/43/89/613714389.db2.gz KCOOBXSKQHJKGZ-UHFFFAOYSA-N 1 2 286.335 1.614 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(-n3cccc3)ccn2)CC1 ZINC000957112761 613714429 /nfs/dbraw/zinc/71/44/29/613714429.db2.gz MZKKZBIXJFXSBJ-UHFFFAOYSA-N 1 2 296.374 1.816 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnn(-c3ccccc3)c2)CC1 ZINC000949169958 613718062 /nfs/dbraw/zinc/71/80/62/613718062.db2.gz WRHAUQPTRJNOPD-UHFFFAOYSA-N 1 2 296.374 1.816 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)C)C2)C1 ZINC000972649246 613722885 /nfs/dbraw/zinc/72/28/85/613722885.db2.gz GIVZMBNHRMPMNZ-HNNXBMFYSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)C)C2)C1 ZINC000972649246 613722887 /nfs/dbraw/zinc/72/28/87/613722887.db2.gz GIVZMBNHRMPMNZ-HNNXBMFYSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CCN(CC=C)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925574574 617522413 /nfs/dbraw/zinc/52/24/13/617522413.db2.gz VSILBMAGIJCZBG-AWEZNQCLSA-N 1 2 281.400 1.481 20 30 CDEDLO Cc1cc(F)c(C#N)c(N(C)CC[NH+]2CCOCC2)c1 ZINC000892282970 617689132 /nfs/dbraw/zinc/68/91/32/617689132.db2.gz CJPZSMWAKAONDR-UHFFFAOYSA-N 1 2 277.343 1.774 20 30 CDEDLO C=CCC[C@@H](CO)Nc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000894112442 618445871 /nfs/dbraw/zinc/44/58/71/618445871.db2.gz GQTBHCBNQYAZEY-RYUDHWBXSA-N 1 2 280.372 1.398 20 30 CDEDLO C=CCC[C@@H](CO)Nc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000894112442 618445879 /nfs/dbraw/zinc/44/58/79/618445879.db2.gz GQTBHCBNQYAZEY-RYUDHWBXSA-N 1 2 280.372 1.398 20 30 CDEDLO C[C@H](CC(=O)OCc1cc(C#N)ccn1)n1cc[nH+]c1 ZINC000909411415 619101130 /nfs/dbraw/zinc/10/11/30/619101130.db2.gz DUGXDUFGCDRODZ-LLVKDONJSA-N 1 2 270.292 1.844 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)Nc1cc(C)ncc1C#N ZINC000895801570 619851431 /nfs/dbraw/zinc/85/14/31/619851431.db2.gz QOJYCNNYIAFYPF-CQSZACIVSA-N 1 2 274.368 1.206 20 30 CDEDLO Cc1nc([C@H](C)O[NH+]=C(N)c2ccc(F)cc2)no1 ZINC000842019350 620857266 /nfs/dbraw/zinc/85/72/66/620857266.db2.gz MAJUBRGBYAQONC-ZETCQYMHSA-N 1 2 264.260 1.915 20 30 CDEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2cc(CO)on2)s1 ZINC000905076115 626618179 /nfs/dbraw/zinc/61/81/79/626618179.db2.gz AHEPYYQREUSYEJ-ONEGZZNKSA-N 1 2 293.348 1.581 20 30 CDEDLO N#C[C@H]1CCCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000905142278 626654826 /nfs/dbraw/zinc/65/48/26/626654826.db2.gz DQSLKJXFJVWIBM-GFCCVEGCSA-N 1 2 261.329 1.218 20 30 CDEDLO C#CCNC(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000026879497 627095384 /nfs/dbraw/zinc/09/53/84/627095384.db2.gz RCSVTYKWODJTBX-KRWDZBQOSA-N 1 2 279.343 1.510 20 30 CDEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cn(Cc2ncon2)nn1 ZINC000906298717 627179770 /nfs/dbraw/zinc/17/97/70/627179770.db2.gz KPGCGSWFUMTIBX-LBPRGKRZSA-N 1 2 274.328 1.250 20 30 CDEDLO C=C[C@H]1CCCC[N@H+]1Cc1cn(Cc2ncon2)nn1 ZINC000906298717 627179771 /nfs/dbraw/zinc/17/97/71/627179771.db2.gz KPGCGSWFUMTIBX-LBPRGKRZSA-N 1 2 274.328 1.250 20 30 CDEDLO Cc1cccc(N2CC[NH+](CC(=O)NCCC#N)CC2)c1 ZINC000027386010 628050775 /nfs/dbraw/zinc/05/07/75/628050775.db2.gz YKAJHYCUJCKIRD-UHFFFAOYSA-N 1 2 286.379 1.147 20 30 CDEDLO C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000908652613 628316902 /nfs/dbraw/zinc/31/69/02/628316902.db2.gz POOKRBJPHXGZEP-DZGCQCFKSA-N 1 2 294.395 1.233 20 30 CDEDLO C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000908652613 628316905 /nfs/dbraw/zinc/31/69/05/628316905.db2.gz POOKRBJPHXGZEP-DZGCQCFKSA-N 1 2 294.395 1.233 20 30 CDEDLO C=CCN(C(=O)CNc1cccc[nH+]1)[C@H](C)COC ZINC000912315329 629923524 /nfs/dbraw/zinc/92/35/24/629923524.db2.gz PSJYGBLZVAWETP-GFCCVEGCSA-N 1 2 263.341 1.543 20 30 CDEDLO CCOc1ccc(/C=N/[C@@H](C)C[NH+]2CCOCC2)c(O)c1 ZINC000915978216 631878112 /nfs/dbraw/zinc/87/81/12/631878112.db2.gz CMIKDUHTLNZUCB-HNEYUBDGSA-N 1 2 292.379 1.931 20 30 CDEDLO N#C[C@@H]1CCCN(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000921487913 632993904 /nfs/dbraw/zinc/99/39/04/632993904.db2.gz AUPBOOJWUSIHHL-ZDUSSCGKSA-N 1 2 283.335 1.779 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@]2(C)CCO[C@@H]2C)C1 ZINC001030727565 685261292 /nfs/dbraw/zinc/26/12/92/685261292.db2.gz XDINAPOJBVUVOT-RISCZKNCSA-N 1 2 252.358 1.178 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C)co1)CO2 ZINC001053898925 685340136 /nfs/dbraw/zinc/34/01/36/685340136.db2.gz DWGNBWJTMAFGTM-CYBMUJFWSA-N 1 2 288.347 1.184 20 30 CDEDLO C=CCONC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000838711304 685347757 /nfs/dbraw/zinc/34/77/57/685347757.db2.gz IAJGVDSPFQIITG-VXGBXAGGSA-N 1 2 264.329 1.593 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CCOC)c1ccco1 ZINC000780752660 685359286 /nfs/dbraw/zinc/35/92/86/685359286.db2.gz PMMBHAHXIWTSFR-KGLIPLIRSA-N 1 2 290.363 1.571 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CCOC)c1ccco1 ZINC000780752660 685359294 /nfs/dbraw/zinc/35/92/94/685359294.db2.gz PMMBHAHXIWTSFR-KGLIPLIRSA-N 1 2 290.363 1.571 20 30 CDEDLO C[C@H]1CC[N@H+](Cn2nc(CC#N)n(C)c2=S)C[C@H]1C ZINC000794639861 685365094 /nfs/dbraw/zinc/36/50/94/685365094.db2.gz MMUALXGKOMZEPI-WDEREUQCSA-N 1 2 279.413 1.953 20 30 CDEDLO C[C@H]1CC[N@@H+](Cn2nc(CC#N)n(C)c2=S)C[C@H]1C ZINC000794639861 685365101 /nfs/dbraw/zinc/36/51/01/685365101.db2.gz MMUALXGKOMZEPI-WDEREUQCSA-N 1 2 279.413 1.953 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](C[C@H](O)COCc2cccs2)C1 ZINC000932163013 686335337 /nfs/dbraw/zinc/33/53/37/686335337.db2.gz SJASUVVJWQEAAQ-OLZOCXBDSA-N 1 2 280.393 1.861 20 30 CDEDLO N#C[C@H]1CCC[N@H+](C[C@H](O)COCc2cccs2)C1 ZINC000932163013 686335341 /nfs/dbraw/zinc/33/53/41/686335341.db2.gz SJASUVVJWQEAAQ-OLZOCXBDSA-N 1 2 280.393 1.861 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001030940384 685393988 /nfs/dbraw/zinc/39/39/88/685393988.db2.gz YNVWBJLDLMJGAP-LLVKDONJSA-N 1 2 270.323 1.636 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cccc(OC)c1 ZINC001032516436 685398752 /nfs/dbraw/zinc/39/87/52/685398752.db2.gz XPWXLPRBVSFELR-HOTGVXAUSA-N 1 2 298.386 1.546 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cccc(OC)c1 ZINC001032516436 685398763 /nfs/dbraw/zinc/39/87/63/685398763.db2.gz XPWXLPRBVSFELR-HOTGVXAUSA-N 1 2 298.386 1.546 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cc([C@H](C)CC)no2)C1 ZINC001015811597 685398851 /nfs/dbraw/zinc/39/88/51/685398851.db2.gz JFQZLZPMQXOPPC-NEPJUHHUSA-N 1 2 275.352 1.625 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc([C@H](C)CC)no2)C1 ZINC001015811597 685398860 /nfs/dbraw/zinc/39/88/60/685398860.db2.gz JFQZLZPMQXOPPC-NEPJUHHUSA-N 1 2 275.352 1.625 20 30 CDEDLO COc1cc(C#N)ccc1C(=O)NCCc1c[nH+]cn1C ZINC000935329405 685423261 /nfs/dbraw/zinc/42/32/61/685423261.db2.gz OLDGAMOBJNAECB-UHFFFAOYSA-N 1 2 284.319 1.273 20 30 CDEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)CC)C2)CC1 ZINC001051984544 685432576 /nfs/dbraw/zinc/43/25/76/685432576.db2.gz JTBDABOIYOTTQP-JKSUJKDBSA-N 1 2 291.439 1.274 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)NCc1ccc(C#N)cc1F ZINC000811924685 685471088 /nfs/dbraw/zinc/47/10/88/685471088.db2.gz DYPIBEDPSABLSZ-UHFFFAOYSA-N 1 2 287.298 1.430 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc[nH]c1)O2 ZINC001053600313 685472357 /nfs/dbraw/zinc/47/23/57/685472357.db2.gz FSUKGCSHCTXNKT-AWEZNQCLSA-N 1 2 289.379 1.554 20 30 CDEDLO C#CC[N@H+]1CC=C(CNC(=O)c2n[nH]c3ccccc32)CC1 ZINC001001422128 685474776 /nfs/dbraw/zinc/47/47/76/685474776.db2.gz AAFNSZGAIRCJEU-UHFFFAOYSA-N 1 2 294.358 1.558 20 30 CDEDLO C#CC[N@@H+]1CC=C(CNC(=O)c2n[nH]c3ccccc32)CC1 ZINC001001422128 685474777 /nfs/dbraw/zinc/47/47/77/685474777.db2.gz AAFNSZGAIRCJEU-UHFFFAOYSA-N 1 2 294.358 1.558 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]ccc2n1 ZINC001038513226 685595047 /nfs/dbraw/zinc/59/50/47/685595047.db2.gz NPQKYJYKNLHWGM-LBPRGKRZSA-N 1 2 282.347 1.390 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]ccc2n1 ZINC001038513226 685595053 /nfs/dbraw/zinc/59/50/53/685595053.db2.gz NPQKYJYKNLHWGM-LBPRGKRZSA-N 1 2 282.347 1.390 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2oc(CCC)nc2C)C1 ZINC000923559818 685640136 /nfs/dbraw/zinc/64/01/36/685640136.db2.gz UHEOAUZFUJNWSD-ZDUSSCGKSA-N 1 2 289.379 1.763 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2oc(CCC)nc2C)C1 ZINC000923559818 685640138 /nfs/dbraw/zinc/64/01/38/685640138.db2.gz UHEOAUZFUJNWSD-ZDUSSCGKSA-N 1 2 289.379 1.763 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)nc1 ZINC000846797263 685646330 /nfs/dbraw/zinc/64/63/30/685646330.db2.gz QVVLKHHQUDHFJH-CQSZACIVSA-N 1 2 273.336 1.681 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2C2OCCO2)nc1 ZINC000846797263 685646337 /nfs/dbraw/zinc/64/63/37/685646337.db2.gz QVVLKHHQUDHFJH-CQSZACIVSA-N 1 2 273.336 1.681 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C(C)(C)c2ccccc2)C1 ZINC001031365582 684311937 /nfs/dbraw/zinc/31/19/37/684311937.db2.gz JYKHKOSRSZSZCX-UHFFFAOYSA-N 1 2 270.376 1.788 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ocnc1C(F)F ZINC001032632284 684365557 /nfs/dbraw/zinc/36/55/57/684365557.db2.gz UMURFOACYXNVOU-IUCAKERBSA-N 1 2 283.278 1.697 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ocnc1C(F)F ZINC001032632284 684365559 /nfs/dbraw/zinc/36/55/59/684365559.db2.gz UMURFOACYXNVOU-IUCAKERBSA-N 1 2 283.278 1.697 20 30 CDEDLO C#CCC[C@H](O)CNc1cc(NCC2CC2)[nH+]cn1 ZINC000798420637 684371121 /nfs/dbraw/zinc/37/11/21/684371121.db2.gz BLZHMOKGOFTTQX-LBPRGKRZSA-N 1 2 260.341 1.485 20 30 CDEDLO C#CCC[C@H](O)CNc1cc(NCC2CC2)nc[nH+]1 ZINC000798420637 684371125 /nfs/dbraw/zinc/37/11/25/684371125.db2.gz BLZHMOKGOFTTQX-LBPRGKRZSA-N 1 2 260.341 1.485 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)ccn1 ZINC001017582795 684383790 /nfs/dbraw/zinc/38/37/90/684383790.db2.gz QWSZGSNYMXLRLE-IYBDPMFKSA-N 1 2 297.402 1.956 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)ccn1 ZINC001017582795 684383793 /nfs/dbraw/zinc/38/37/93/684383793.db2.gz QWSZGSNYMXLRLE-IYBDPMFKSA-N 1 2 297.402 1.956 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCN(c2ccc(C)cc2)C(=O)C1 ZINC000796088852 684453319 /nfs/dbraw/zinc/45/33/19/684453319.db2.gz JJTBDCUGWHTDBW-MRXNPFEDSA-N 1 2 288.391 1.971 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCN(c2ccc(C)cc2)C(=O)C1 ZINC000796088852 684453329 /nfs/dbraw/zinc/45/33/29/684453329.db2.gz JJTBDCUGWHTDBW-MRXNPFEDSA-N 1 2 288.391 1.971 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc(C)nn2CC)C1 ZINC001032000150 684455974 /nfs/dbraw/zinc/45/59/74/684455974.db2.gz QWQRRIQCGPBVLV-UHFFFAOYSA-N 1 2 296.802 1.626 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1cscn1)C2 ZINC001072544570 684471708 /nfs/dbraw/zinc/47/17/08/684471708.db2.gz QGDVPYTUPOQPSJ-LLVKDONJSA-N 1 2 290.392 1.337 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1cscn1)C2 ZINC001072544570 684471709 /nfs/dbraw/zinc/47/17/09/684471709.db2.gz QGDVPYTUPOQPSJ-LLVKDONJSA-N 1 2 290.392 1.337 20 30 CDEDLO C[C@H](O[NH+]=C(N)CCO)c1nc(-c2cccs2)no1 ZINC000121320879 684495145 /nfs/dbraw/zinc/49/51/45/684495145.db2.gz SAOUOIANOAWFIG-ZETCQYMHSA-N 1 2 282.325 1.530 20 30 CDEDLO C[N@H+](CCOc1ccccc1C#N)[C@H]1CC(C)(C)OC1=O ZINC000795711941 684522870 /nfs/dbraw/zinc/52/28/70/684522870.db2.gz XRMSZVXCJKRHBN-ZDUSSCGKSA-N 1 2 288.347 1.963 20 30 CDEDLO C[N@@H+](CCOc1ccccc1C#N)[C@H]1CC(C)(C)OC1=O ZINC000795711941 684522874 /nfs/dbraw/zinc/52/28/74/684522874.db2.gz XRMSZVXCJKRHBN-ZDUSSCGKSA-N 1 2 288.347 1.963 20 30 CDEDLO C=CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2nccs2)CC1 ZINC000886772525 684533404 /nfs/dbraw/zinc/53/34/04/684533404.db2.gz ZUMIOZJYEATFEE-NSHDSACASA-N 1 2 295.408 1.873 20 30 CDEDLO C#C[C@@H](CC)NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000882133395 684565033 /nfs/dbraw/zinc/56/50/33/684565033.db2.gz OVVSTTDUMLXWIE-ZDUSSCGKSA-N 1 2 292.404 1.365 20 30 CDEDLO C#C[C@@H](CC)NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000882133395 684565039 /nfs/dbraw/zinc/56/50/39/684565039.db2.gz OVVSTTDUMLXWIE-ZDUSSCGKSA-N 1 2 292.404 1.365 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C2CC2)CC1 ZINC001017644116 684601018 /nfs/dbraw/zinc/60/10/18/684601018.db2.gz NXQDUIFYQKAQBU-GASCZTMLSA-N 1 2 272.392 1.875 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C2CC2)CC1 ZINC001017644116 684601019 /nfs/dbraw/zinc/60/10/19/684601019.db2.gz NXQDUIFYQKAQBU-GASCZTMLSA-N 1 2 272.392 1.875 20 30 CDEDLO C[C@@H]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CN1CC#N ZINC001071611132 684613369 /nfs/dbraw/zinc/61/33/69/684613369.db2.gz ZPGVOXJJEPBROC-DGCLKSJQSA-N 1 2 297.362 1.669 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001038635063 684618384 /nfs/dbraw/zinc/61/83/84/684618384.db2.gz SMUOWKVIQPFFCD-ZFWWWQNUSA-N 1 2 272.323 1.289 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001038635063 684618389 /nfs/dbraw/zinc/61/83/89/684618389.db2.gz SMUOWKVIQPFFCD-ZFWWWQNUSA-N 1 2 272.323 1.289 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000824871633 684640774 /nfs/dbraw/zinc/64/07/74/684640774.db2.gz IRIRPRUBEOSZAV-UHFFFAOYSA-N 1 2 292.310 1.810 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)OCC ZINC000781760908 684673931 /nfs/dbraw/zinc/67/39/31/684673931.db2.gz GTSLBDRBHWHSSF-LBPRGKRZSA-N 1 2 252.358 1.015 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)OCC ZINC000781760908 684673937 /nfs/dbraw/zinc/67/39/37/684673937.db2.gz GTSLBDRBHWHSSF-LBPRGKRZSA-N 1 2 252.358 1.015 20 30 CDEDLO C[C@H](O)CCO[NH+]=C(N)c1ccc(Br)cc1 ZINC000842040401 684711138 /nfs/dbraw/zinc/71/11/38/684711138.db2.gz VIGSTNLSTVGDKD-QMMMGPOBSA-N 1 2 287.157 1.857 20 30 CDEDLO CN(Cc1ccc(C#N)cc1)C(=O)Cc1[nH]cc[nH+]1 ZINC000816857291 684717273 /nfs/dbraw/zinc/71/72/73/684717273.db2.gz BVUGCPYSWQWGME-UHFFFAOYSA-N 1 2 254.293 1.482 20 30 CDEDLO C#CCNC(=O)CC[N@H+]1CCCC[C@@H]1c1noc(CC)n1 ZINC000815018821 684724662 /nfs/dbraw/zinc/72/46/62/684724662.db2.gz CDENVHQPLPCTQQ-GFCCVEGCSA-N 1 2 290.367 1.299 20 30 CDEDLO C#CCNC(=O)CC[N@@H+]1CCCC[C@@H]1c1noc(CC)n1 ZINC000815018821 684724671 /nfs/dbraw/zinc/72/46/71/684724671.db2.gz CDENVHQPLPCTQQ-GFCCVEGCSA-N 1 2 290.367 1.299 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001031840585 684729882 /nfs/dbraw/zinc/72/98/82/684729882.db2.gz LDDWBXJRNDGULW-HIFRSBDPSA-N 1 2 298.814 1.746 20 30 CDEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCF)C1 ZINC001029464727 684737808 /nfs/dbraw/zinc/73/78/08/684737808.db2.gz DXCUYLYPHCIVCR-BETUJISGSA-N 1 2 266.360 1.987 20 30 CDEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCF)C1 ZINC001029464727 684737822 /nfs/dbraw/zinc/73/78/22/684737822.db2.gz DXCUYLYPHCIVCR-BETUJISGSA-N 1 2 266.360 1.987 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C2CCC2)n1 ZINC001032721220 684774044 /nfs/dbraw/zinc/77/40/44/684774044.db2.gz YLTIZFASNYJHFM-KBPBESRZSA-N 1 2 299.374 1.864 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C2CCC2)n1 ZINC001032721220 684774056 /nfs/dbraw/zinc/77/40/56/684774056.db2.gz YLTIZFASNYJHFM-KBPBESRZSA-N 1 2 299.374 1.864 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1nn(C)c(C)c1Cl ZINC001038759200 684795597 /nfs/dbraw/zinc/79/55/97/684795597.db2.gz XGFILXIKUAOHAF-NSHDSACASA-N 1 2 294.786 1.209 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1nn(C)c(C)c1Cl ZINC001038759200 684795600 /nfs/dbraw/zinc/79/56/00/684795600.db2.gz XGFILXIKUAOHAF-NSHDSACASA-N 1 2 294.786 1.209 20 30 CDEDLO C=CCn1cccc1C(=O)NC1C[NH+](C[C@@H](C)OC)C1 ZINC001030447045 684801799 /nfs/dbraw/zinc/80/17/99/684801799.db2.gz GYQGBIOVJUNJLB-GFCCVEGCSA-N 1 2 277.368 1.123 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C(C)C)c1 ZINC001032729078 684806809 /nfs/dbraw/zinc/80/68/09/684806809.db2.gz OXPRXNYSVKNJKX-GJZGRUSLSA-N 1 2 286.379 1.386 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C(C)C)c1 ZINC001032729078 684806811 /nfs/dbraw/zinc/80/68/11/684806811.db2.gz OXPRXNYSVKNJKX-GJZGRUSLSA-N 1 2 286.379 1.386 20 30 CDEDLO Cc1nc(NC[C@@H]2CCCCN2C(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001060223187 684810583 /nfs/dbraw/zinc/81/05/83/684810583.db2.gz PFRUBKATIGYPMO-AAEUAGOBSA-N 1 2 287.367 1.738 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2ccnn2C)C1 ZINC001033048553 684812799 /nfs/dbraw/zinc/81/27/99/684812799.db2.gz UILKNIBLONRVQD-ZDUSSCGKSA-N 1 2 296.802 1.248 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccnn2C)C1 ZINC001033048553 684812801 /nfs/dbraw/zinc/81/28/01/684812801.db2.gz UILKNIBLONRVQD-ZDUSSCGKSA-N 1 2 296.802 1.248 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2cnccc2c1 ZINC001038523264 684824280 /nfs/dbraw/zinc/82/42/80/684824280.db2.gz LHHLKJARTURULM-CQSZACIVSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2cnccc2c1 ZINC001038523264 684824281 /nfs/dbraw/zinc/82/42/81/684824281.db2.gz LHHLKJARTURULM-CQSZACIVSA-N 1 2 280.331 1.067 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC001043327197 684844806 /nfs/dbraw/zinc/84/48/06/684844806.db2.gz FPUANPFVOCWRED-UHFFFAOYSA-N 1 2 284.363 1.434 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cnn(C(C)(C)C)c1 ZINC000884108170 684847468 /nfs/dbraw/zinc/84/74/68/684847468.db2.gz RMTIQMQXOJXZKA-NSHDSACASA-N 1 2 294.355 1.023 20 30 CDEDLO CN(C(=O)C(F)F)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001032855165 684859661 /nfs/dbraw/zinc/85/96/61/684859661.db2.gz HEVMWJVRIFPOQK-CYBMUJFWSA-N 1 2 293.317 1.856 20 30 CDEDLO CN(C(=O)C(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001032855165 684859662 /nfs/dbraw/zinc/85/96/62/684859662.db2.gz HEVMWJVRIFPOQK-CYBMUJFWSA-N 1 2 293.317 1.856 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccnc2)c1 ZINC001038153321 684872946 /nfs/dbraw/zinc/87/29/46/684872946.db2.gz OSGWBSKTVBGBJS-CQSZACIVSA-N 1 2 295.346 1.286 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@H+]2Cc2cccnc2)c1 ZINC001038153321 684872947 /nfs/dbraw/zinc/87/29/47/684872947.db2.gz OSGWBSKTVBGBJS-CQSZACIVSA-N 1 2 295.346 1.286 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(F)c1 ZINC001032261065 684877569 /nfs/dbraw/zinc/87/75/69/684877569.db2.gz WMKIJPZEXDSYPJ-GJZGRUSLSA-N 1 2 272.323 1.748 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(F)c1 ZINC001032261065 684877570 /nfs/dbraw/zinc/87/75/70/684877570.db2.gz WMKIJPZEXDSYPJ-GJZGRUSLSA-N 1 2 272.323 1.748 20 30 CDEDLO C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032564539 684878091 /nfs/dbraw/zinc/87/80/91/684878091.db2.gz PKJJQFYPKXVDSL-ISWURRPUSA-N 1 2 295.386 1.999 20 30 CDEDLO C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032564539 684878093 /nfs/dbraw/zinc/87/80/93/684878093.db2.gz PKJJQFYPKXVDSL-ISWURRPUSA-N 1 2 295.386 1.999 20 30 CDEDLO CCOC(=O)[C@@]1(F)C[N@H+](CC#CCOC)C[C@@H]1CC ZINC000886877504 684881648 /nfs/dbraw/zinc/88/16/48/684881648.db2.gz UWVYRPZYESICQV-GXTWGEPZSA-N 1 2 271.332 1.249 20 30 CDEDLO CCOC(=O)[C@@]1(F)C[N@@H+](CC#CCOC)C[C@@H]1CC ZINC000886877504 684881649 /nfs/dbraw/zinc/88/16/49/684881649.db2.gz UWVYRPZYESICQV-GXTWGEPZSA-N 1 2 271.332 1.249 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2COC[C@H]2c2ccccc2)C1 ZINC001030557302 684884319 /nfs/dbraw/zinc/88/43/19/684884319.db2.gz BQGBOJFHBNTLHO-DLBZAZTESA-N 1 2 298.386 1.240 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1F ZINC001038479132 684888222 /nfs/dbraw/zinc/88/82/22/684888222.db2.gz HEDSXEPPRRNFGZ-LLVKDONJSA-N 1 2 280.730 1.916 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1F ZINC001038479132 684888223 /nfs/dbraw/zinc/88/82/23/684888223.db2.gz HEDSXEPPRRNFGZ-LLVKDONJSA-N 1 2 280.730 1.916 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(CC)ccn1 ZINC001038280239 684895431 /nfs/dbraw/zinc/89/54/31/684895431.db2.gz KTIAKIPHGTZIOV-CYBMUJFWSA-N 1 2 257.337 1.081 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(CC)ccn1 ZINC001038280239 684895433 /nfs/dbraw/zinc/89/54/33/684895433.db2.gz KTIAKIPHGTZIOV-CYBMUJFWSA-N 1 2 257.337 1.081 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c[nH]c(Br)c2)C1 ZINC001030690488 684900747 /nfs/dbraw/zinc/90/07/47/684900747.db2.gz OPEWSHNXPIIXGB-UHFFFAOYSA-N 1 2 298.184 1.767 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC2(F)F)C1 ZINC001035410829 684914232 /nfs/dbraw/zinc/91/42/32/684914232.db2.gz GRFRIHZNXHZLAT-MNOVXSKESA-N 1 2 274.311 1.035 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC2(F)F)C1 ZINC001035410829 684914237 /nfs/dbraw/zinc/91/42/37/684914237.db2.gz GRFRIHZNXHZLAT-MNOVXSKESA-N 1 2 274.311 1.035 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2nccn2C)C1 ZINC001027336264 684949074 /nfs/dbraw/zinc/94/90/74/684949074.db2.gz OZMQYVVQEXNBGX-CHWSQXEVSA-N 1 2 289.383 1.003 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2nccn2C)C1 ZINC001027336264 684949088 /nfs/dbraw/zinc/94/90/88/684949088.db2.gz OZMQYVVQEXNBGX-CHWSQXEVSA-N 1 2 289.383 1.003 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)c3cnon3)CCC[C@H]12 ZINC000992359823 684963337 /nfs/dbraw/zinc/96/33/37/684963337.db2.gz GSBHGTWDKDMZGB-WCQYABFASA-N 1 2 296.758 1.549 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)c3cnon3)CCC[C@H]12 ZINC000992359823 684963341 /nfs/dbraw/zinc/96/33/41/684963341.db2.gz GSBHGTWDKDMZGB-WCQYABFASA-N 1 2 296.758 1.549 20 30 CDEDLO C#CCC[N@H+]1CC[C@H](NC(=O)c2n[nH]c3ccccc32)C1 ZINC001016159678 684978353 /nfs/dbraw/zinc/97/83/53/684978353.db2.gz LYPRBVRQCQICHC-LBPRGKRZSA-N 1 2 282.347 1.390 20 30 CDEDLO C#CCC[N@@H+]1CC[C@H](NC(=O)c2n[nH]c3ccccc32)C1 ZINC001016159678 684978359 /nfs/dbraw/zinc/97/83/59/684978359.db2.gz LYPRBVRQCQICHC-LBPRGKRZSA-N 1 2 282.347 1.390 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2nc(Cl)cs2)C1 ZINC001033358921 685001872 /nfs/dbraw/zinc/00/18/72/685001872.db2.gz ROBFEANBQGMGOP-VIFPVBQESA-N 1 2 283.784 1.576 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2nc(Cl)cs2)C1 ZINC001033358921 685001874 /nfs/dbraw/zinc/00/18/74/685001874.db2.gz ROBFEANBQGMGOP-VIFPVBQESA-N 1 2 283.784 1.576 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccn[nH]2)c1 ZINC001038073380 685007099 /nfs/dbraw/zinc/00/70/99/685007099.db2.gz ZTFUZQLUNGZTNH-AWEZNQCLSA-N 1 2 295.346 1.286 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccn[nH]2)c1 ZINC001038073380 685007101 /nfs/dbraw/zinc/00/71/01/685007101.db2.gz ZTFUZQLUNGZTNH-AWEZNQCLSA-N 1 2 295.346 1.286 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC3)[C@@H]2C1 ZINC001075472249 685011453 /nfs/dbraw/zinc/01/14/53/685011453.db2.gz UVRDCFIDPQUUQG-NWDGAFQWSA-N 1 2 299.212 1.838 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC3)[C@@H]2C1 ZINC001075472249 685011455 /nfs/dbraw/zinc/01/14/55/685011455.db2.gz UVRDCFIDPQUUQG-NWDGAFQWSA-N 1 2 299.212 1.838 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001051032468 685012944 /nfs/dbraw/zinc/01/29/44/685012944.db2.gz XBDIULTXJQEJAY-CYBMUJFWSA-N 1 2 295.358 1.551 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001051032468 685012947 /nfs/dbraw/zinc/01/29/47/685012947.db2.gz XBDIULTXJQEJAY-CYBMUJFWSA-N 1 2 295.358 1.551 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1nc(C(C)C)oc1C ZINC001038253655 685015325 /nfs/dbraw/zinc/01/53/25/685015325.db2.gz GOCBYOOHTFYLBC-GFCCVEGCSA-N 1 2 275.352 1.544 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc(C(C)C)oc1C ZINC001038253655 685015330 /nfs/dbraw/zinc/01/53/30/685015330.db2.gz GOCBYOOHTFYLBC-GFCCVEGCSA-N 1 2 275.352 1.544 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(OC)c(F)c1 ZINC001038364749 685029465 /nfs/dbraw/zinc/02/94/65/685029465.db2.gz XFCHDBKSDZHGTF-LBPRGKRZSA-N 1 2 276.311 1.272 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OC)c(F)c1 ZINC001038364749 685029467 /nfs/dbraw/zinc/02/94/67/685029467.db2.gz XFCHDBKSDZHGTF-LBPRGKRZSA-N 1 2 276.311 1.272 20 30 CDEDLO C=CCC(F)(F)C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000815878590 685043071 /nfs/dbraw/zinc/04/30/71/685043071.db2.gz LNXKTJSJQOVVRR-UHFFFAOYSA-N 1 2 276.327 1.113 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cncn2C)C1 ZINC001033235567 685085683 /nfs/dbraw/zinc/08/56/83/685085683.db2.gz PZBMWRLRCPOWCD-NSHDSACASA-N 1 2 282.775 1.319 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cncn2C)C1 ZINC001033235567 685085689 /nfs/dbraw/zinc/08/56/89/685085689.db2.gz PZBMWRLRCPOWCD-NSHDSACASA-N 1 2 282.775 1.319 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2n[nH]cc2C)C1 ZINC001033078016 685122618 /nfs/dbraw/zinc/12/26/18/685122618.db2.gz INXQVQSWDCNOJW-NSHDSACASA-N 1 2 282.775 1.617 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2n[nH]cc2C)C1 ZINC001033078016 685122655 /nfs/dbraw/zinc/12/26/55/685122655.db2.gz INXQVQSWDCNOJW-NSHDSACASA-N 1 2 282.775 1.617 20 30 CDEDLO C[C@@H]1C[NH+]=C(NN=Cc2cc(Cl)cc(F)c2O)N1 ZINC000779785036 685143697 /nfs/dbraw/zinc/14/36/97/685143697.db2.gz NEDXJRFEXCBDBS-ZCFIWIBFSA-N 1 2 270.695 1.456 20 30 CDEDLO C#CCN1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000874468108 685172634 /nfs/dbraw/zinc/17/26/34/685172634.db2.gz CXHVBRYBSRZTRI-OAHLLOKOSA-N 1 2 288.395 1.248 20 30 CDEDLO C=CCC(C)(C)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000796455235 685179832 /nfs/dbraw/zinc/17/98/32/685179832.db2.gz NCIDKVDIAOFDGZ-GFCCVEGCSA-N 1 2 255.358 1.853 20 30 CDEDLO C#CCOCC[NH2+][C@H](C(=O)OC)C1CCCCC1 ZINC000851932959 685197731 /nfs/dbraw/zinc/19/77/31/685197731.db2.gz SBCDYTMFDGOSRW-ZDUSSCGKSA-N 1 2 253.342 1.348 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(OC)c(C)c2)C1 ZINC001031104625 685244179 /nfs/dbraw/zinc/24/41/79/685244179.db2.gz YEUHQZPXRNPZIB-UHFFFAOYSA-N 1 2 274.364 1.994 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ncoc2CC)C1 ZINC001035319749 685697921 /nfs/dbraw/zinc/69/79/21/685697921.db2.gz MDNXMLNZBGMMIR-LBPRGKRZSA-N 1 2 293.367 1.244 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ncoc2CC)C1 ZINC001035319749 685697934 /nfs/dbraw/zinc/69/79/34/685697934.db2.gz MDNXMLNZBGMMIR-LBPRGKRZSA-N 1 2 293.367 1.244 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C1CCCC1 ZINC001050796376 685697977 /nfs/dbraw/zinc/69/79/77/685697977.db2.gz ZFAYMRCUMYXJRN-CQSZACIVSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C1CCCC1 ZINC001050796376 685697994 /nfs/dbraw/zinc/69/79/94/685697994.db2.gz ZFAYMRCUMYXJRN-CQSZACIVSA-N 1 2 266.385 1.570 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCOCC1 ZINC001032379290 685793121 /nfs/dbraw/zinc/79/31/21/685793121.db2.gz LYPRBMCHOYWLEN-ILXRZTDVSA-N 1 2 276.380 1.112 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCOCC1 ZINC001032379290 685793137 /nfs/dbraw/zinc/79/31/37/685793137.db2.gz LYPRBMCHOYWLEN-ILXRZTDVSA-N 1 2 276.380 1.112 20 30 CDEDLO CC#CCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000091112213 685837943 /nfs/dbraw/zinc/83/79/43/685837943.db2.gz IKMQZTBSYLDXEU-UHFFFAOYSA-N 1 2 285.259 1.961 20 30 CDEDLO C=CCC1(O)CC[NH+]([C@@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000886759794 685842424 /nfs/dbraw/zinc/84/24/24/685842424.db2.gz PQDWUFIXGKPPAC-JTQLQIEISA-N 1 2 294.317 1.456 20 30 CDEDLO C#Cc1cccc(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000844143661 685864602 /nfs/dbraw/zinc/86/46/02/685864602.db2.gz FIPMTIRUCZOVBE-HNNXBMFYSA-N 1 2 279.343 1.743 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCO[C@H]2C(C)C)C1 ZINC001042880809 685877892 /nfs/dbraw/zinc/87/78/92/685877892.db2.gz HDSOCDFVLAQXNE-GJZGRUSLSA-N 1 2 280.412 1.766 20 30 CDEDLO C#CC[NH+]1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000112997733 685899444 /nfs/dbraw/zinc/89/94/44/685899444.db2.gz ORPBJORZZSFFST-RYUDHWBXSA-N 1 2 252.358 1.949 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccoc2)C1 ZINC001010732315 685900158 /nfs/dbraw/zinc/90/01/58/685900158.db2.gz MTBUWILACZVYMT-GFCCVEGCSA-N 1 2 268.744 1.765 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccoc2)C1 ZINC001010732315 685900161 /nfs/dbraw/zinc/90/01/61/685900161.db2.gz MTBUWILACZVYMT-GFCCVEGCSA-N 1 2 268.744 1.765 20 30 CDEDLO COc1cccc([C@H]2CN(C(=O)[C@@H](C)C#N)CC[NH2+]2)c1 ZINC000870149308 685904848 /nfs/dbraw/zinc/90/48/48/685904848.db2.gz HTSUZXGEJJMGJD-SMDDNHRTSA-N 1 2 273.336 1.328 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)o1 ZINC001017333765 685907206 /nfs/dbraw/zinc/90/72/06/685907206.db2.gz QLXJJLKUFUKRKI-OKILXGFUSA-N 1 2 272.348 1.900 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)o1 ZINC001017333765 685907208 /nfs/dbraw/zinc/90/72/08/685907208.db2.gz QLXJJLKUFUKRKI-OKILXGFUSA-N 1 2 272.348 1.900 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(-n3cccc3)ccn2)C1 ZINC001031219985 685908221 /nfs/dbraw/zinc/90/82/21/685908221.db2.gz QASUJTWOAXGJNA-UHFFFAOYSA-N 1 2 294.358 1.310 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1CS(N)(=O)=O ZINC000931226990 685926388 /nfs/dbraw/zinc/92/63/88/685926388.db2.gz ZUKDGILYFIALNV-CQSZACIVSA-N 1 2 293.392 1.201 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CS(N)(=O)=O ZINC000931226990 685926393 /nfs/dbraw/zinc/92/63/93/685926393.db2.gz ZUKDGILYFIALNV-CQSZACIVSA-N 1 2 293.392 1.201 20 30 CDEDLO Cc1cc(C)c(C(=O)N2C[C@@H]3C[C@H]2CN3CC#N)c(C)[nH+]1 ZINC001032532210 685927909 /nfs/dbraw/zinc/92/79/09/685927909.db2.gz FZVHVHGEEWVFRK-KBPBESRZSA-N 1 2 284.363 1.429 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ncccn2)CC[C@@H]1C ZINC001071920677 685956602 /nfs/dbraw/zinc/95/66/02/685956602.db2.gz VWVPAQTWTCWWFK-RYUDHWBXSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ncccn2)CC[C@@H]1C ZINC001071920677 685956604 /nfs/dbraw/zinc/95/66/04/685956604.db2.gz VWVPAQTWTCWWFK-RYUDHWBXSA-N 1 2 294.786 1.812 20 30 CDEDLO C#CCC1(NC(=O)/C=C/C[NH+]2CCOCC2)CCCCC1 ZINC000886656154 685966836 /nfs/dbraw/zinc/96/68/36/685966836.db2.gz TUMJGLNOVMWNGY-VOTSOKGWSA-N 1 2 290.407 1.717 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)cn1CC ZINC001032786845 685973593 /nfs/dbraw/zinc/97/35/93/685973593.db2.gz UIMHLUWLAZJHPI-STQMWFEESA-N 1 2 291.782 1.693 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)cn1CC ZINC001032786845 685973595 /nfs/dbraw/zinc/97/35/95/685973595.db2.gz UIMHLUWLAZJHPI-STQMWFEESA-N 1 2 291.782 1.693 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)ncn2C ZINC001038429861 685974510 /nfs/dbraw/zinc/97/45/10/685974510.db2.gz KILUSGVDAJXMTH-CYBMUJFWSA-N 1 2 282.347 1.011 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)ncn2C ZINC001038429861 685974512 /nfs/dbraw/zinc/97/45/12/685974512.db2.gz KILUSGVDAJXMTH-CYBMUJFWSA-N 1 2 282.347 1.011 20 30 CDEDLO C[C@@H](c1ncccn1)[N@H+](C)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971511879 685992140 /nfs/dbraw/zinc/99/21/40/685992140.db2.gz SRIFOMQQYOBJSN-ZFWWWQNUSA-N 1 2 298.390 1.484 20 30 CDEDLO C[C@@H](c1ncccn1)[N@@H+](C)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971511879 685992148 /nfs/dbraw/zinc/99/21/48/685992148.db2.gz SRIFOMQQYOBJSN-ZFWWWQNUSA-N 1 2 298.390 1.484 20 30 CDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2CC23CC3)C1 ZINC001032009131 685994061 /nfs/dbraw/zinc/99/40/61/685994061.db2.gz SSMULCHEPASDNY-INIZCTEOSA-N 1 2 295.386 1.906 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccn3nccc23)C1 ZINC001043221855 686012022 /nfs/dbraw/zinc/01/20/22/686012022.db2.gz UNEQRDLYYASZJV-UHFFFAOYSA-N 1 2 282.347 1.114 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c([nH]1)CCC2 ZINC001018168495 686021372 /nfs/dbraw/zinc/02/13/72/686021372.db2.gz WESUMQKRBKWWLO-OKILXGFUSA-N 1 2 283.375 1.425 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c([nH]1)CCC2 ZINC001018168495 686021376 /nfs/dbraw/zinc/02/13/76/686021376.db2.gz WESUMQKRBKWWLO-OKILXGFUSA-N 1 2 283.375 1.425 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn[nH]1 ZINC001049347193 686038695 /nfs/dbraw/zinc/03/86/95/686038695.db2.gz RGLNYGKMZRNZEE-QWHCGFSZSA-N 1 2 294.786 1.841 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn[nH]1 ZINC001049347193 686038699 /nfs/dbraw/zinc/03/86/99/686038699.db2.gz RGLNYGKMZRNZEE-QWHCGFSZSA-N 1 2 294.786 1.841 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc[nH]n1 ZINC001049347193 686038705 /nfs/dbraw/zinc/03/87/05/686038705.db2.gz RGLNYGKMZRNZEE-QWHCGFSZSA-N 1 2 294.786 1.841 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc[nH]n1 ZINC001049347193 686038710 /nfs/dbraw/zinc/03/87/10/686038710.db2.gz RGLNYGKMZRNZEE-QWHCGFSZSA-N 1 2 294.786 1.841 20 30 CDEDLO C#CCCOC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000859077627 686050682 /nfs/dbraw/zinc/05/06/82/686050682.db2.gz RSDRCCVEXYNZSB-LBPRGKRZSA-N 1 2 259.309 1.410 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844460548 686071186 /nfs/dbraw/zinc/07/11/86/686071186.db2.gz XTUHNXGVBNNMRT-LPEHRKFASA-N 1 2 269.295 1.134 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844460548 686071191 /nfs/dbraw/zinc/07/11/91/686071191.db2.gz XTUHNXGVBNNMRT-LPEHRKFASA-N 1 2 269.295 1.134 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)C)C[C@@H]21 ZINC001074389829 686131248 /nfs/dbraw/zinc/13/12/48/686131248.db2.gz JZIPVPOPUUERIV-UONOGXRCSA-N 1 2 278.396 1.358 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)C)C[C@@H]21 ZINC001074389829 686131255 /nfs/dbraw/zinc/13/12/55/686131255.db2.gz JZIPVPOPUUERIV-UONOGXRCSA-N 1 2 278.396 1.358 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](OC)C1 ZINC001017674863 686200631 /nfs/dbraw/zinc/20/06/31/686200631.db2.gz CSXSDNRGOQVQKO-BYNSBNAKSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](OC)C1 ZINC001017674863 686200644 /nfs/dbraw/zinc/20/06/44/686200644.db2.gz CSXSDNRGOQVQKO-BYNSBNAKSA-N 1 2 276.380 1.110 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2(C)CCOCC2)C1 ZINC001044053022 686221226 /nfs/dbraw/zinc/22/12/26/686221226.db2.gz ITXGKLDAMBBRFF-UHFFFAOYSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(F)c(C)c1 ZINC000884068742 686228726 /nfs/dbraw/zinc/22/87/26/686228726.db2.gz CVBRCJVYIYLOED-LBPRGKRZSA-N 1 2 280.299 1.519 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1scnc1CC ZINC001038325729 686235735 /nfs/dbraw/zinc/23/57/35/686235735.db2.gz XJLMTHFTFBDBAV-SNVBAGLBSA-N 1 2 265.382 1.696 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1scnc1CC ZINC001038325729 686235746 /nfs/dbraw/zinc/23/57/46/686235746.db2.gz XJLMTHFTFBDBAV-SNVBAGLBSA-N 1 2 265.382 1.696 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CC[C@H](OC)C2)C1 ZINC001043151184 686290370 /nfs/dbraw/zinc/29/03/70/686290370.db2.gz VUPATNWJZKQNSU-JSGCOSHPSA-N 1 2 266.385 1.520 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](C[C@H](O)COCc2ccccc2F)C1 ZINC000932163453 686312186 /nfs/dbraw/zinc/31/21/86/686312186.db2.gz URRMFRRHCYIVPX-HIFRSBDPSA-N 1 2 292.354 1.939 20 30 CDEDLO N#C[C@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2F)C1 ZINC000932163453 686312194 /nfs/dbraw/zinc/31/21/94/686312194.db2.gz URRMFRRHCYIVPX-HIFRSBDPSA-N 1 2 292.354 1.939 20 30 CDEDLO CCn1cc(C[NH2+]C2(c3cccc(C#N)c3)CC2)nn1 ZINC000887552678 686314829 /nfs/dbraw/zinc/31/48/29/686314829.db2.gz LIMCBZIUBDHUHV-UHFFFAOYSA-N 1 2 267.336 1.949 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC1(C)C ZINC001032573858 686348427 /nfs/dbraw/zinc/34/84/27/686348427.db2.gz UWGVMLDZWXBGGV-MELADBBJSA-N 1 2 260.381 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC1(C)C ZINC001032573858 686348435 /nfs/dbraw/zinc/34/84/35/686348435.db2.gz UWGVMLDZWXBGGV-MELADBBJSA-N 1 2 260.381 1.731 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2CCCC2)C1 ZINC001031510563 686378230 /nfs/dbraw/zinc/37/82/30/686378230.db2.gz ZWGICGGCSXVLRH-UHFFFAOYSA-N 1 2 256.777 1.977 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)c2c(C)noc2C)C1 ZINC001031102742 686383752 /nfs/dbraw/zinc/38/37/52/686383752.db2.gz MDSDLZNDEIDRAD-SNVBAGLBSA-N 1 2 275.352 1.219 20 30 CDEDLO C#CC[C@H]([NH2+][C@@H]1CCO[C@H](C(C)C)C1)C(=O)OC ZINC000839169940 686392859 /nfs/dbraw/zinc/39/28/59/686392859.db2.gz VZJNPZKESUVLSY-AGIUHOORSA-N 1 2 253.342 1.345 20 30 CDEDLO C[C@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CCCN1CC#N ZINC000993506934 686445895 /nfs/dbraw/zinc/44/58/95/686445895.db2.gz PBZKIBVKCWSCRJ-AAEUAGOBSA-N 1 2 297.362 1.669 20 30 CDEDLO Cc1conc1C[N@@H+](C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971510075 686494210 /nfs/dbraw/zinc/49/42/10/686494210.db2.gz ATZWGJLMYFJPHC-CQSZACIVSA-N 1 2 287.363 1.429 20 30 CDEDLO Cc1conc1C[N@H+](C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971510075 686494221 /nfs/dbraw/zinc/49/42/21/686494221.db2.gz ATZWGJLMYFJPHC-CQSZACIVSA-N 1 2 287.363 1.429 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCCc3nn(C)cc32)C1 ZINC001030845678 686575878 /nfs/dbraw/zinc/57/58/78/686575878.db2.gz MCMPBRHPLXTNQP-CYBMUJFWSA-N 1 2 288.395 1.217 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc3c([nH]2)CCOC3)C1 ZINC001030426924 686596743 /nfs/dbraw/zinc/59/67/43/686596743.db2.gz FJUPTUGQXZYGHD-UHFFFAOYSA-N 1 2 275.352 1.078 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)cn1C ZINC001038489989 686597447 /nfs/dbraw/zinc/59/74/47/686597447.db2.gz VUYQHTKKIRRJFJ-GFCCVEGCSA-N 1 2 279.771 1.506 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)cn1C ZINC001038489989 686597458 /nfs/dbraw/zinc/59/74/58/686597458.db2.gz VUYQHTKKIRRJFJ-GFCCVEGCSA-N 1 2 279.771 1.506 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC=CCC1 ZINC001017343620 686629383 /nfs/dbraw/zinc/62/93/83/686629383.db2.gz JSNZIMNFNMNEDX-SOUVJXGZSA-N 1 2 258.365 1.651 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC=CCC1 ZINC001017343620 686629397 /nfs/dbraw/zinc/62/93/97/686629397.db2.gz JSNZIMNFNMNEDX-SOUVJXGZSA-N 1 2 258.365 1.651 20 30 CDEDLO N#Cc1cccc(C(=O)OCCCn2cc[nH+]c2)n1 ZINC000811251577 686676594 /nfs/dbraw/zinc/67/65/94/686676594.db2.gz JPQIDFXDMDKVGO-UHFFFAOYSA-N 1 2 256.265 1.397 20 30 CDEDLO C[C@H]1C[N@H+](CCOC(=O)CCCCCC#N)CCO1 ZINC000805697062 686676992 /nfs/dbraw/zinc/67/69/92/686676992.db2.gz PGNNSMRPOMQXCH-ZDUSSCGKSA-N 1 2 268.357 1.724 20 30 CDEDLO C[C@H]1C[N@@H+](CCOC(=O)CCCCCC#N)CCO1 ZINC000805697062 686677013 /nfs/dbraw/zinc/67/70/13/686677013.db2.gz PGNNSMRPOMQXCH-ZDUSSCGKSA-N 1 2 268.357 1.724 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2COc3ccccc32)C1 ZINC001044366204 686686431 /nfs/dbraw/zinc/68/64/31/686686431.db2.gz BILITAKXRTVOEV-CQSZACIVSA-N 1 2 272.348 1.491 20 30 CDEDLO Cn1c(CC#N)nn(C[N@H+](C)C[C@@H]2CC2(C)C)c1=S ZINC000853627816 686714984 /nfs/dbraw/zinc/71/49/84/686714984.db2.gz HAAZDCOPZVDPLF-JTQLQIEISA-N 1 2 279.413 1.953 20 30 CDEDLO Cn1c(CC#N)nn(C[N@@H+](C)C[C@@H]2CC2(C)C)c1=S ZINC000853627816 686714995 /nfs/dbraw/zinc/71/49/95/686714995.db2.gz HAAZDCOPZVDPLF-JTQLQIEISA-N 1 2 279.413 1.953 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2CCOC[C@H]2OCC)C1 ZINC001043377895 686717638 /nfs/dbraw/zinc/71/76/38/686717638.db2.gz XTOPPURQIXWGEG-DZGCQCFKSA-N 1 2 296.411 1.147 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cc(C)nc1C ZINC001032531813 686728530 /nfs/dbraw/zinc/72/85/30/686728530.db2.gz ADECKXJQWUOCRQ-GJZGRUSLSA-N 1 2 283.375 1.539 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cc(C)nc1C ZINC001032531813 686728536 /nfs/dbraw/zinc/72/85/36/686728536.db2.gz ADECKXJQWUOCRQ-GJZGRUSLSA-N 1 2 283.375 1.539 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(c2ccccc2C)CC1 ZINC001032816485 686758556 /nfs/dbraw/zinc/75/85/56/686758556.db2.gz RKPLIDAGBXTRKO-HOTGVXAUSA-N 1 2 294.398 1.945 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(c2ccccc2C)CC1 ZINC001032816485 686758570 /nfs/dbraw/zinc/75/85/70/686758570.db2.gz RKPLIDAGBXTRKO-HOTGVXAUSA-N 1 2 294.398 1.945 20 30 CDEDLO C[C@H]1C[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031521587 686814883 /nfs/dbraw/zinc/81/48/83/686814883.db2.gz GXQFSNHGBDYZAC-BLLLJJGKSA-N 1 2 283.375 1.762 20 30 CDEDLO Cc1nc(N2CCN(C(=O)[C@@H](C)C#N)CC2)c(C)c(C)[nH+]1 ZINC001055742646 686817341 /nfs/dbraw/zinc/81/73/41/686817341.db2.gz WXYYSSIJOCKZDI-JTQLQIEISA-N 1 2 287.367 1.210 20 30 CDEDLO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]cc3ncnc2-3)C1 ZINC001007381164 686838565 /nfs/dbraw/zinc/83/85/65/686838565.db2.gz BNDBTNYCPPRJAT-GFCCVEGCSA-N 1 2 299.378 1.728 20 30 CDEDLO C=CCC[N@H+]1CCC[C@@H](NC(=O)c2c[nH]cc3ncnc2-3)C1 ZINC001007381164 686838567 /nfs/dbraw/zinc/83/85/67/686838567.db2.gz BNDBTNYCPPRJAT-GFCCVEGCSA-N 1 2 299.378 1.728 20 30 CDEDLO C=C(C)CNC(=S)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000795131748 686844097 /nfs/dbraw/zinc/84/40/97/686844097.db2.gz OWFXAZSVBAIBAB-OLZOCXBDSA-N 1 2 283.441 1.232 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn[nH]n1 ZINC001049569918 686847571 /nfs/dbraw/zinc/84/75/71/686847571.db2.gz HCGLCLLKTXYBLI-VXGBXAGGSA-N 1 2 295.774 1.236 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn[nH]n1 ZINC001049569918 686847573 /nfs/dbraw/zinc/84/75/73/686847573.db2.gz HCGLCLLKTXYBLI-VXGBXAGGSA-N 1 2 295.774 1.236 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001054050870 686896112 /nfs/dbraw/zinc/89/61/12/686896112.db2.gz NQPHJIPYCGAAHI-XKQJLSEDSA-N 1 2 282.387 1.819 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001054050870 686896119 /nfs/dbraw/zinc/89/61/19/686896119.db2.gz NQPHJIPYCGAAHI-XKQJLSEDSA-N 1 2 282.387 1.819 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1snnc1CC ZINC001038485418 686935717 /nfs/dbraw/zinc/93/57/17/686935717.db2.gz WLWAFFZBZILXML-SNVBAGLBSA-N 1 2 280.397 1.481 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1snnc1CC ZINC001038485418 686935731 /nfs/dbraw/zinc/93/57/31/686935731.db2.gz WLWAFFZBZILXML-SNVBAGLBSA-N 1 2 280.397 1.481 20 30 CDEDLO C=CCC[N@@H+]1CC[C@H](NC(=O)c2c[nH]cc3ncnc2-3)C1 ZINC001014507737 686944631 /nfs/dbraw/zinc/94/46/31/686944631.db2.gz XGGLRUGLVOFDPR-NSHDSACASA-N 1 2 285.351 1.338 20 30 CDEDLO C=CCC[N@H+]1CC[C@H](NC(=O)c2c[nH]cc3ncnc2-3)C1 ZINC001014507737 686944638 /nfs/dbraw/zinc/94/46/38/686944638.db2.gz XGGLRUGLVOFDPR-NSHDSACASA-N 1 2 285.351 1.338 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)n2cccn2)C1 ZINC001010286827 686988827 /nfs/dbraw/zinc/98/88/27/686988827.db2.gz OXHQBMBOYGHFQV-VXGBXAGGSA-N 1 2 282.775 1.387 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)n2cccn2)C1 ZINC001010286827 686988842 /nfs/dbraw/zinc/98/88/42/686988842.db2.gz OXHQBMBOYGHFQV-VXGBXAGGSA-N 1 2 282.775 1.387 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCO[C@@H](C)C2)C1 ZINC001044095320 687022526 /nfs/dbraw/zinc/02/25/26/687022526.db2.gz FQPDHPSPOHQLCN-QWHCGFSZSA-N 1 2 266.385 1.520 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2cc(C)ccc2OC)C1 ZINC001030627803 687035525 /nfs/dbraw/zinc/03/55/25/687035525.db2.gz FVGNYNKGYKRWCA-UHFFFAOYSA-N 1 2 286.375 1.370 20 30 CDEDLO C=C1C[NH+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000899900099 687052002 /nfs/dbraw/zinc/05/20/02/687052002.db2.gz IMXNHMNSDCFPGM-CYBMUJFWSA-N 1 2 288.347 1.183 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C(C)C)nc1C ZINC001038904509 687076144 /nfs/dbraw/zinc/07/61/44/687076144.db2.gz DUPZZAJHDBBERI-CQSZACIVSA-N 1 2 288.395 1.600 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C(C)C)nc1C ZINC001038904509 687076147 /nfs/dbraw/zinc/07/61/47/687076147.db2.gz DUPZZAJHDBBERI-CQSZACIVSA-N 1 2 288.395 1.600 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(CC)ncnc1CC ZINC001032633984 687085060 /nfs/dbraw/zinc/08/50/60/687085060.db2.gz GJRAYIPPGIPNDO-STQMWFEESA-N 1 2 298.390 1.133 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(CC)ncnc1CC ZINC001032633984 687085062 /nfs/dbraw/zinc/08/50/62/687085062.db2.gz GJRAYIPPGIPNDO-STQMWFEESA-N 1 2 298.390 1.133 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)[C@H]2CCCO2)C1 ZINC001030920520 687109583 /nfs/dbraw/zinc/10/95/83/687109583.db2.gz SQEUNBYYIOMPBM-DGCLKSJQSA-N 1 2 252.358 1.178 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(F)cncc1F ZINC001038296413 687115341 /nfs/dbraw/zinc/11/53/41/687115341.db2.gz FFPGSGAJQMFJRR-JTQLQIEISA-N 1 2 279.290 1.187 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(F)cncc1F ZINC001038296413 687115349 /nfs/dbraw/zinc/11/53/49/687115349.db2.gz FFPGSGAJQMFJRR-JTQLQIEISA-N 1 2 279.290 1.187 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccnc(C)c2)C1 ZINC001035549890 687120489 /nfs/dbraw/zinc/12/04/89/687120489.db2.gz YRAOZUZZPDQCNB-HNNXBMFYSA-N 1 2 289.379 1.397 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccnc(C)c2)C1 ZINC001035549890 687120494 /nfs/dbraw/zinc/12/04/94/687120494.db2.gz YRAOZUZZPDQCNB-HNNXBMFYSA-N 1 2 289.379 1.397 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2cccnn21 ZINC001038785792 687154776 /nfs/dbraw/zinc/15/47/76/687154776.db2.gz KPIXGTLQYGTYEN-CQSZACIVSA-N 1 2 282.347 1.162 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2cccnn21 ZINC001038785792 687154777 /nfs/dbraw/zinc/15/47/77/687154777.db2.gz KPIXGTLQYGTYEN-CQSZACIVSA-N 1 2 282.347 1.162 20 30 CDEDLO Cc1cc(C)c(NC(=O)[C@@H](C)O[NH+]=C(N)CCO)c(C)c1 ZINC000121403811 687188237 /nfs/dbraw/zinc/18/82/37/687188237.db2.gz MUVCRFMIDYFTLL-GFCCVEGCSA-N 1 2 293.367 1.610 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2sccc2F)C1 ZINC001010847677 687212350 /nfs/dbraw/zinc/21/23/50/687212350.db2.gz FETUKZRXFVNNAE-VIFPVBQESA-N 1 2 252.314 1.325 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2sccc2F)C1 ZINC001010847677 687212358 /nfs/dbraw/zinc/21/23/58/687212358.db2.gz FETUKZRXFVNNAE-VIFPVBQESA-N 1 2 252.314 1.325 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C(\C)C3CC3)C[C@H]21 ZINC001074185110 687234116 /nfs/dbraw/zinc/23/41/16/687234116.db2.gz XHABKNOTYKGGMP-SXRGSSEVSA-N 1 2 290.407 1.830 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C(\C)C3CC3)C[C@H]21 ZINC001074185110 687234120 /nfs/dbraw/zinc/23/41/20/687234120.db2.gz XHABKNOTYKGGMP-SXRGSSEVSA-N 1 2 290.407 1.830 20 30 CDEDLO C#CC[NH+]1CCN(c2nc3cccc(F)c3o2)CC1 ZINC000858337529 687300836 /nfs/dbraw/zinc/30/08/36/687300836.db2.gz JMNYPFFSCQFWHT-UHFFFAOYSA-N 1 2 259.284 1.722 20 30 CDEDLO CC(=[NH+]NCCc1ccncc1)c1csc(N)n1 ZINC000789093330 687322456 /nfs/dbraw/zinc/32/24/56/687322456.db2.gz CWHIEAWMHUCCAE-UHFFFAOYSA-N 1 2 261.354 1.677 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001027875054 687338963 /nfs/dbraw/zinc/33/89/63/687338963.db2.gz SLKUZCVRTNVNMF-UWVGGRQHSA-N 1 2 278.730 1.975 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001027875054 687338966 /nfs/dbraw/zinc/33/89/66/687338966.db2.gz SLKUZCVRTNVNMF-UWVGGRQHSA-N 1 2 278.730 1.975 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001031125604 687339625 /nfs/dbraw/zinc/33/96/25/687339625.db2.gz RAFZPZXUACNWII-HNNXBMFYSA-N 1 2 282.387 1.930 20 30 CDEDLO CCOC(=O)/C=C/C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000931546296 687343591 /nfs/dbraw/zinc/34/35/91/687343591.db2.gz KPIVYSWEGZVHFX-ONEGZZNKSA-N 1 2 299.374 1.800 20 30 CDEDLO C#CCNC(=O)[C@H](C)Nc1ccc([NH+](C)C)cc1C ZINC000840771239 687381902 /nfs/dbraw/zinc/38/19/02/687381902.db2.gz VENNLHZFYMDRHR-LBPRGKRZSA-N 1 2 259.353 1.611 20 30 CDEDLO C[C@@H](C#N)OCC[N@@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000817299149 687385311 /nfs/dbraw/zinc/38/53/11/687385311.db2.gz VXYLYUYSRKKVGO-ZFWWWQNUSA-N 1 2 293.411 1.686 20 30 CDEDLO C[C@@H](C#N)OCC[N@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000817299149 687385316 /nfs/dbraw/zinc/38/53/16/687385316.db2.gz VXYLYUYSRKKVGO-ZFWWWQNUSA-N 1 2 293.411 1.686 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001007787411 687389856 /nfs/dbraw/zinc/38/98/56/687389856.db2.gz SUVNKHOYQYEQKT-ZDUSSCGKSA-N 1 2 283.331 1.655 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001007787411 687389863 /nfs/dbraw/zinc/38/98/63/687389863.db2.gz SUVNKHOYQYEQKT-ZDUSSCGKSA-N 1 2 283.331 1.655 20 30 CDEDLO C#C[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)[C@H]1CCCO1 ZINC000775784574 687390445 /nfs/dbraw/zinc/39/04/45/687390445.db2.gz KGLXXAFRXPOKEH-GVDBMIGSSA-N 1 2 298.386 1.777 20 30 CDEDLO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(C)=O)cc1C#N ZINC001017276339 687443155 /nfs/dbraw/zinc/44/31/55/687443155.db2.gz JXWWOJWOHYWZLW-IYBDPMFKSA-N 1 2 299.374 1.762 20 30 CDEDLO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(C)=O)cc1C#N ZINC001017276339 687443170 /nfs/dbraw/zinc/44/31/70/687443170.db2.gz JXWWOJWOHYWZLW-IYBDPMFKSA-N 1 2 299.374 1.762 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001038464403 687465784 /nfs/dbraw/zinc/46/57/84/687465784.db2.gz CKEYKRVKPMRGLH-AWEZNQCLSA-N 1 2 269.348 1.396 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001038464403 687465791 /nfs/dbraw/zinc/46/57/91/687465791.db2.gz CKEYKRVKPMRGLH-AWEZNQCLSA-N 1 2 269.348 1.396 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnoc1CC ZINC001018013120 687497158 /nfs/dbraw/zinc/49/71/58/687497158.db2.gz YMVWOYCVUDFOPV-TXEJJXNPSA-N 1 2 275.352 1.712 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnoc1CC ZINC001018013120 687497166 /nfs/dbraw/zinc/49/71/66/687497166.db2.gz YMVWOYCVUDFOPV-TXEJJXNPSA-N 1 2 275.352 1.712 20 30 CDEDLO C=CC[N@@H+](C)CN1C[C@@](C(=O)OCC)(C(C)C)CC1=O ZINC000795445894 687528249 /nfs/dbraw/zinc/52/82/49/687528249.db2.gz FEKDXQNZUNMIBF-OAHLLOKOSA-N 1 2 282.384 1.500 20 30 CDEDLO C=CC[N@H+](C)CN1C[C@@](C(=O)OCC)(C(C)C)CC1=O ZINC000795445894 687528256 /nfs/dbraw/zinc/52/82/56/687528256.db2.gz FEKDXQNZUNMIBF-OAHLLOKOSA-N 1 2 282.384 1.500 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2Cc3ccncc3C2)C1 ZINC001043887158 687622938 /nfs/dbraw/zinc/62/29/38/687622938.db2.gz VWTZDFJCCVPFGW-ZDUSSCGKSA-N 1 2 271.364 1.125 20 30 CDEDLO CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001009817624 687650201 /nfs/dbraw/zinc/65/02/01/687650201.db2.gz VHSFJZJHBQTQBB-ZDUSSCGKSA-N 1 2 275.327 1.798 20 30 CDEDLO CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001009817624 687650205 /nfs/dbraw/zinc/65/02/05/687650205.db2.gz VHSFJZJHBQTQBB-ZDUSSCGKSA-N 1 2 275.327 1.798 20 30 CDEDLO COc1nccnc1N=NC(C)c1ccc(N)[nH+]c1 ZINC000814905927 687724228 /nfs/dbraw/zinc/72/42/28/687724228.db2.gz YTXLXLXUYWOECB-UHFFFAOYSA-N 1 2 258.285 1.299 20 30 CDEDLO Nc1ccc(C=[NH+]Nc2nc3ccccc3[nH]2)cn1 ZINC000807945368 687729501 /nfs/dbraw/zinc/72/95/01/687729501.db2.gz AUBVHOJNJDWQBN-UHFFFAOYSA-N 1 2 252.281 1.986 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)c2cc(C)oc2C)C1 ZINC001031110887 687734684 /nfs/dbraw/zinc/73/46/84/687734684.db2.gz QMLNUOXARIEGAO-LBPRGKRZSA-N 1 2 274.364 1.824 20 30 CDEDLO C#CCSCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000887581717 687757041 /nfs/dbraw/zinc/75/70/41/687757041.db2.gz DZJBJORTYWRCKE-UHFFFAOYSA-N 1 2 288.416 1.697 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC001039000449 687792250 /nfs/dbraw/zinc/79/22/50/687792250.db2.gz PEXFSMUZNPWUCK-AWEZNQCLSA-N 1 2 278.302 1.792 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC001039000449 687792254 /nfs/dbraw/zinc/79/22/54/687792254.db2.gz PEXFSMUZNPWUCK-AWEZNQCLSA-N 1 2 278.302 1.792 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2Cc3ccc(F)cc32)C1 ZINC001030847838 687815963 /nfs/dbraw/zinc/81/59/63/687815963.db2.gz NCUBSDOTNSXZBH-HNNXBMFYSA-N 1 2 272.323 1.289 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1n[nH]cc1C ZINC001027868182 687849517 /nfs/dbraw/zinc/84/95/17/687849517.db2.gz JJUPKUJNQOZQEH-NSHDSACASA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1n[nH]cc1C ZINC001027868182 687849518 /nfs/dbraw/zinc/84/95/18/687849518.db2.gz JJUPKUJNQOZQEH-NSHDSACASA-N 1 2 282.775 1.665 20 30 CDEDLO C=CC[N@@H+](CN1C[C@@H](c2cncn2C)CC1=O)C1CC1 ZINC000783993700 687859579 /nfs/dbraw/zinc/85/95/79/687859579.db2.gz NUZHBGSJNVBTFE-LBPRGKRZSA-N 1 2 274.368 1.344 20 30 CDEDLO C=CC[N@H+](CN1C[C@@H](c2cncn2C)CC1=O)C1CC1 ZINC000783993700 687859582 /nfs/dbraw/zinc/85/95/82/687859582.db2.gz NUZHBGSJNVBTFE-LBPRGKRZSA-N 1 2 274.368 1.344 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnoc1-c1ccco1 ZINC001038417581 687869504 /nfs/dbraw/zinc/86/95/04/687869504.db2.gz OCHBUBJGMKGDTJ-NSHDSACASA-N 1 2 285.303 1.372 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnoc1-c1ccco1 ZINC001038417581 687869505 /nfs/dbraw/zinc/86/95/05/687869505.db2.gz OCHBUBJGMKGDTJ-NSHDSACASA-N 1 2 285.303 1.372 20 30 CDEDLO CO[C@@H](C)C[N@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000795751082 687904641 /nfs/dbraw/zinc/90/46/41/687904641.db2.gz VMCDPBZDNGMDIF-NSHDSACASA-N 1 2 275.352 1.133 20 30 CDEDLO CO[C@@H](C)C[N@@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000795751082 687904663 /nfs/dbraw/zinc/90/46/63/687904663.db2.gz VMCDPBZDNGMDIF-NSHDSACASA-N 1 2 275.352 1.133 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)n(C)n1 ZINC001018342013 687943495 /nfs/dbraw/zinc/94/34/95/687943495.db2.gz JJMRLAXVYIIJGU-OKILXGFUSA-N 1 2 288.395 1.457 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)n(C)n1 ZINC001018342013 687943508 /nfs/dbraw/zinc/94/35/08/687943508.db2.gz JJMRLAXVYIIJGU-OKILXGFUSA-N 1 2 288.395 1.457 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[C@H]1C ZINC001071749532 688020662 /nfs/dbraw/zinc/02/06/62/688020662.db2.gz VXUJFJBUTMXDLI-BJJPWKGXSA-N 1 2 298.814 1.600 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[C@H]1C ZINC001071749532 688020670 /nfs/dbraw/zinc/02/06/70/688020670.db2.gz VXUJFJBUTMXDLI-BJJPWKGXSA-N 1 2 298.814 1.600 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCC[C@H](C(C)C)C1 ZINC000884125575 688027399 /nfs/dbraw/zinc/02/73/99/688027399.db2.gz BTHHIZIMMCZHCX-IHRRRGAJSA-N 1 2 296.411 1.764 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccncc1OC(C)C ZINC001038556447 688081260 /nfs/dbraw/zinc/08/12/60/688081260.db2.gz VYBBTTQXMAGGDZ-CYBMUJFWSA-N 1 2 287.363 1.306 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccncc1OC(C)C ZINC001038556447 688081268 /nfs/dbraw/zinc/08/12/68/688081268.db2.gz VYBBTTQXMAGGDZ-CYBMUJFWSA-N 1 2 287.363 1.306 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC(C)(C)C[C@H]1C ZINC000884169636 688093406 /nfs/dbraw/zinc/09/34/06/688093406.db2.gz HEWYQTOIMUBROI-FRRDWIJNSA-N 1 2 296.411 1.764 20 30 CDEDLO CCOC(=O)[C@H](C#N)Nc1cc(F)c(C[NH+](C)C)c(F)c1 ZINC001170370246 1162345172 /nfs/dbraw/zinc/34/51/72/1162345172.db2.gz CEXQKIMVHCUCJZ-ZDUSSCGKSA-N 1 2 297.305 1.894 20 30 CDEDLO CCCCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001130912699 1162748412 /nfs/dbraw/zinc/74/84/12/1162748412.db2.gz BHXUKEDFKNJLFO-CHWSQXEVSA-N 1 2 289.383 1.018 20 30 CDEDLO N#Cc1n[nH]cc1NC(=O)c1cccc2[nH+]ccn21 ZINC001131483661 1162923977 /nfs/dbraw/zinc/92/39/77/1162923977.db2.gz NPDLPWFCTLVDHB-UHFFFAOYSA-N 1 2 252.237 1.181 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccn(C)n2)C1 ZINC001131898382 1163100929 /nfs/dbraw/zinc/10/09/29/1163100929.db2.gz ABWSXJKUYOJCLV-UONOGXRCSA-N 1 2 290.411 1.855 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccn(C)n2)C1 ZINC001131898382 1163100930 /nfs/dbraw/zinc/10/09/30/1163100930.db2.gz ABWSXJKUYOJCLV-UONOGXRCSA-N 1 2 290.411 1.855 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2nccn2C)C1 ZINC001131899842 1163100990 /nfs/dbraw/zinc/10/09/90/1163100990.db2.gz QRGLRJHSTXEPOC-UONOGXRCSA-N 1 2 290.411 1.855 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nccn2C)C1 ZINC001131899842 1163100993 /nfs/dbraw/zinc/10/09/93/1163100993.db2.gz QRGLRJHSTXEPOC-UONOGXRCSA-N 1 2 290.411 1.855 20 30 CDEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1OC ZINC001212148665 1160968730 /nfs/dbraw/zinc/96/87/30/1160968730.db2.gz OHVKFYYTVHBOEB-BIYBCCJYSA-N 1 2 298.814 1.748 20 30 CDEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1OC ZINC001212148665 1160968744 /nfs/dbraw/zinc/96/87/44/1160968744.db2.gz OHVKFYYTVHBOEB-BIYBCCJYSA-N 1 2 298.814 1.748 20 30 CDEDLO Cc1nc(N[C@H](C)C[C@@H](C)NC(=O)C#CC2CC2)cc[nH+]1 ZINC001089314317 1161134767 /nfs/dbraw/zinc/13/47/67/1161134767.db2.gz ULOKLPDMWSVTKD-VXGBXAGGSA-N 1 2 286.379 1.894 20 30 CDEDLO CC(C)C[N@H+](CCC#N)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000790289239 1162139948 /nfs/dbraw/zinc/13/99/48/1162139948.db2.gz AZMWLPDJJWLXPT-OAHLLOKOSA-N 1 2 293.411 1.638 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000790289239 1162139949 /nfs/dbraw/zinc/13/99/49/1162139949.db2.gz AZMWLPDJJWLXPT-OAHLLOKOSA-N 1 2 293.411 1.638 20 30 CDEDLO N#Cc1cncc(C(=O)Nc2cc[nH+]c3c2CCC3)c1 ZINC001194102635 1164399674 /nfs/dbraw/zinc/39/96/74/1164399674.db2.gz JWMUIGUIQNXCIV-UHFFFAOYSA-N 1 2 264.288 1.511 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001114348278 1164492000 /nfs/dbraw/zinc/49/20/00/1164492000.db2.gz KRFVVKXMGHLXCR-NHAGDIPZSA-N 1 2 275.352 1.577 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001114348278 1164492003 /nfs/dbraw/zinc/49/20/03/1164492003.db2.gz KRFVVKXMGHLXCR-NHAGDIPZSA-N 1 2 275.352 1.577 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001609108351 1164772801 /nfs/dbraw/zinc/77/28/01/1164772801.db2.gz KSXVZLPPUMORHP-JTQLQIEISA-N 1 2 256.313 1.601 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001609108351 1164772809 /nfs/dbraw/zinc/77/28/09/1164772809.db2.gz KSXVZLPPUMORHP-JTQLQIEISA-N 1 2 256.313 1.601 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](CC)SC ZINC001567277471 1168653713 /nfs/dbraw/zinc/65/37/13/1168653713.db2.gz CEJRBNGGRDZMPA-JTQLQIEISA-N 1 2 264.822 1.929 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](CC)SC ZINC001567277471 1168653716 /nfs/dbraw/zinc/65/37/16/1168653716.db2.gz CEJRBNGGRDZMPA-JTQLQIEISA-N 1 2 264.822 1.929 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)CCCOC)C1 ZINC001665500632 1173006633 /nfs/dbraw/zinc/00/66/33/1173006633.db2.gz MEHDVOWGRDEDKB-AAEUAGOBSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CCCOC)C1 ZINC001665500632 1173006636 /nfs/dbraw/zinc/00/66/36/1173006636.db2.gz MEHDVOWGRDEDKB-AAEUAGOBSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCCF ZINC001698994628 1176023851 /nfs/dbraw/zinc/02/38/51/1176023851.db2.gz HAVUTKXNAFUESI-UHFFFAOYSA-N 1 2 250.745 1.879 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCCF ZINC001698994628 1176023861 /nfs/dbraw/zinc/02/38/61/1176023861.db2.gz HAVUTKXNAFUESI-UHFFFAOYSA-N 1 2 250.745 1.879 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](C)OCC)C1 ZINC001732121379 1182785171 /nfs/dbraw/zinc/78/51/71/1182785171.db2.gz CZITTXSRXKTLQN-SNVBAGLBSA-N 1 2 260.765 1.212 20 30 CDEDLO CC#CC[NH2+][C@@H](C)CNC(=O)C(F)C(F)(F)F ZINC001752876377 1184946783 /nfs/dbraw/zinc/94/67/83/1184946783.db2.gz XWZZNEKJGPHGHN-JGVFFNPUSA-N 1 2 254.227 1.004 20 30 CDEDLO CC#CC[NH2+][C@@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001752876377 1184946786 /nfs/dbraw/zinc/94/67/86/1184946786.db2.gz XWZZNEKJGPHGHN-JGVFFNPUSA-N 1 2 254.227 1.004 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)Oc2ccccc2)C1 ZINC001753391944 1185182831 /nfs/dbraw/zinc/18/28/31/1185182831.db2.gz GPKVFDMOAWKQDE-ZDUSSCGKSA-N 1 2 272.348 1.278 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC1C[NH+](CC(=O)NC(C)C)C1 ZINC001753410864 1185192697 /nfs/dbraw/zinc/19/26/97/1185192697.db2.gz SUYMXKGFIYJWCT-ZDUSSCGKSA-N 1 2 295.427 1.161 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)SC ZINC001754302869 1185561708 /nfs/dbraw/zinc/56/17/08/1185561708.db2.gz PCOQEKSHEZREHQ-ZJUUUORDSA-N 1 2 264.822 1.927 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)SC ZINC001754302869 1185561716 /nfs/dbraw/zinc/56/17/16/1185561716.db2.gz PCOQEKSHEZREHQ-ZJUUUORDSA-N 1 2 264.822 1.927 20 30 CDEDLO O=C(C#CC1CC1)NC[C@@H]1CC[N@H+]1Cc1ccc(F)cc1 ZINC001754484015 1185638656 /nfs/dbraw/zinc/63/86/56/1185638656.db2.gz SVTYHXIXTAFWTG-INIZCTEOSA-N 1 2 286.350 1.930 20 30 CDEDLO O=C(C#CC1CC1)NC[C@@H]1CC[N@@H+]1Cc1ccc(F)cc1 ZINC001754484015 1185638658 /nfs/dbraw/zinc/63/86/58/1185638658.db2.gz SVTYHXIXTAFWTG-INIZCTEOSA-N 1 2 286.350 1.930 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2cnon2)CC1 ZINC001755028101 1185790863 /nfs/dbraw/zinc/79/08/63/1185790863.db2.gz LJEDSSVOFRDEQJ-LBPRGKRZSA-N 1 2 292.383 1.753 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cnon2)CC1 ZINC001755028101 1185790865 /nfs/dbraw/zinc/79/08/65/1185790865.db2.gz LJEDSSVOFRDEQJ-LBPRGKRZSA-N 1 2 292.383 1.753 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1COC2(C[NH+](CCCF)C2)C1 ZINC001755064545 1185803350 /nfs/dbraw/zinc/80/33/50/1185803350.db2.gz YWCCOLOUOCWCFE-ZDUSSCGKSA-N 1 2 298.402 1.908 20 30 CDEDLO C=CC(C)(C)C(=O)N(C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001756042546 1186126911 /nfs/dbraw/zinc/12/69/11/1186126911.db2.gz VHWMEAOVWWXJDV-GFCCVEGCSA-N 1 2 292.383 1.058 20 30 CDEDLO Cn1ccc2c1nc[nH+]c2N1CCN(CCC#N)CC1 ZINC001165056053 722022401 /nfs/dbraw/zinc/02/24/01/722022401.db2.gz JYXVOCSQWWMWJY-UHFFFAOYSA-N 1 2 270.340 1.004 20 30 CDEDLO C=CC(C)(C)C(=O)NC1CC[NH+](Cc2nonc2C)CC1 ZINC001228622003 1167384154 /nfs/dbraw/zinc/38/41/54/1167384154.db2.gz IZWLSMUDOYRCMG-UHFFFAOYSA-N 1 2 292.383 1.671 20 30 CDEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CCF)[C@@H]2C)nn1 ZINC001088910720 912261913 /nfs/dbraw/zinc/26/19/13/912261913.db2.gz CUQVXBMFBXHFKJ-NEPJUHHUSA-N 1 2 295.362 1.016 20 30 CDEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](CCF)[C@@H]2C)nn1 ZINC001088910720 912261926 /nfs/dbraw/zinc/26/19/26/912261926.db2.gz CUQVXBMFBXHFKJ-NEPJUHHUSA-N 1 2 295.362 1.016 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2nonc2C)[C@H]1C ZINC001088950311 912356351 /nfs/dbraw/zinc/35/63/51/912356351.db2.gz IKLXLVCUGDXQHN-MNOVXSKESA-N 1 2 298.774 1.252 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2nonc2C)[C@H]1C ZINC001088950311 912356372 /nfs/dbraw/zinc/35/63/72/912356372.db2.gz IKLXLVCUGDXQHN-MNOVXSKESA-N 1 2 298.774 1.252 20 30 CDEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(C)[nH]n1)CC2 ZINC001272545474 913409189 /nfs/dbraw/zinc/40/91/89/913409189.db2.gz ZRNDNEQTGWOOSY-CQSZACIVSA-N 1 2 288.395 1.622 20 30 CDEDLO C#CC1CCN(C(=O)c2cc3n(n2)CCC[N@@H+](C)C3)CC1 ZINC001175077853 913454454 /nfs/dbraw/zinc/45/44/54/913454454.db2.gz RTGURBKBUFDUSR-UHFFFAOYSA-N 1 2 286.379 1.204 20 30 CDEDLO C#CC1CCN(C(=O)c2cc3n(n2)CCC[N@H+](C)C3)CC1 ZINC001175077853 913454459 /nfs/dbraw/zinc/45/44/59/913454459.db2.gz RTGURBKBUFDUSR-UHFFFAOYSA-N 1 2 286.379 1.204 20 30 CDEDLO N#CCc1cc[nH+]c(N2CCN(C(=O)C3CCC3)CC2)c1 ZINC001167057903 894084338 /nfs/dbraw/zinc/08/43/38/894084338.db2.gz LNVZKSRLRXMDMM-UHFFFAOYSA-N 1 2 284.363 1.596 20 30 CDEDLO C[C@@H](CCNc1ccc(C#N)nc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001106426526 913913977 /nfs/dbraw/zinc/91/39/77/913913977.db2.gz KEGJKSIYSSXZGC-NSHDSACASA-N 1 2 298.350 1.226 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H](C)Nc2cc[nH+]c(C)n2)cc1 ZINC001098207620 895338517 /nfs/dbraw/zinc/33/85/17/895338517.db2.gz OUPXUKBXJNCQNL-GFCCVEGCSA-N 1 2 294.358 1.997 20 30 CDEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1cc[nH]c1)C2 ZINC001272647752 914338838 /nfs/dbraw/zinc/33/88/38/914338838.db2.gz CKAZKZUDBQXVPL-UHFFFAOYSA-N 1 2 275.352 1.004 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCC(C)C)C[C@H]21 ZINC001176913246 914391420 /nfs/dbraw/zinc/39/14/20/914391420.db2.gz RDKODCSLXYFDKP-HZPDHXFCSA-N 1 2 292.423 1.748 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCC(C)C)C[C@H]21 ZINC001176913246 914391429 /nfs/dbraw/zinc/39/14/29/914391429.db2.gz RDKODCSLXYFDKP-HZPDHXFCSA-N 1 2 292.423 1.748 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H]2OCC[N@@H+](CC(=C)C)[C@@H]2C1 ZINC001176989273 914421447 /nfs/dbraw/zinc/42/14/47/914421447.db2.gz OQPDKRUHKHCESI-CVEARBPZSA-N 1 2 290.407 1.668 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H]2OCC[N@H+](CC(=C)C)[C@@H]2C1 ZINC001176989273 914421451 /nfs/dbraw/zinc/42/14/51/914421451.db2.gz OQPDKRUHKHCESI-CVEARBPZSA-N 1 2 290.407 1.668 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1[nH]nc(CC)c1Cl ZINC001027938109 901018767 /nfs/dbraw/zinc/01/87/67/901018767.db2.gz SQSBSSREBJVIFQ-JTQLQIEISA-N 1 2 294.786 1.453 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]nc(CC)c1Cl ZINC001027938109 901018776 /nfs/dbraw/zinc/01/87/76/901018776.db2.gz SQSBSSREBJVIFQ-JTQLQIEISA-N 1 2 294.786 1.453 20 30 CDEDLO C#CCCCC(=O)NCC[NH2+][C@@H](C)c1nnc(CC)o1 ZINC001126344528 901963894 /nfs/dbraw/zinc/96/38/94/901963894.db2.gz ZKWOHKOMZIROIK-NSHDSACASA-N 1 2 278.356 1.202 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001270501801 904684106 /nfs/dbraw/zinc/68/41/06/904684106.db2.gz OUIBXAJVRSPXGS-SNVBAGLBSA-N 1 2 289.301 1.775 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001270501801 904684118 /nfs/dbraw/zinc/68/41/18/904684118.db2.gz OUIBXAJVRSPXGS-SNVBAGLBSA-N 1 2 289.301 1.775 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[N@H+]2CCOC[C@H]2C)cc1 ZINC001188742829 921178275 /nfs/dbraw/zinc/17/82/75/921178275.db2.gz QBQZJSMWSDPIAY-CYBMUJFWSA-N 1 2 272.348 1.118 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cc1 ZINC001188742829 921178277 /nfs/dbraw/zinc/17/82/77/921178277.db2.gz QBQZJSMWSDPIAY-CYBMUJFWSA-N 1 2 272.348 1.118 20 30 CDEDLO C=CCOCC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C)on2)C1 ZINC001189370983 921443226 /nfs/dbraw/zinc/44/32/26/921443226.db2.gz NBRNLBFRVYUGKE-CQSZACIVSA-N 1 2 293.367 1.218 20 30 CDEDLO C=CCOCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C)on2)C1 ZINC001189370983 921443232 /nfs/dbraw/zinc/44/32/32/921443232.db2.gz NBRNLBFRVYUGKE-CQSZACIVSA-N 1 2 293.367 1.218 20 30 CDEDLO C[C@@H]([NH2+]CCNC(=O)C#CC(C)(C)C)c1csnn1 ZINC001126915919 909768941 /nfs/dbraw/zinc/76/89/41/909768941.db2.gz KFJRJRVBZOIZBT-SNVBAGLBSA-N 1 2 280.397 1.354 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccon3)CC2)C1 ZINC001093510537 909881370 /nfs/dbraw/zinc/88/13/70/909881370.db2.gz FSGPLNWGXSXFIH-UHFFFAOYSA-N 1 2 291.351 1.166 20 30 CDEDLO Cc1nc(NCCCNC(=O)C#CC(C)C)cc[nH+]1 ZINC001094398306 910578110 /nfs/dbraw/zinc/57/81/10/910578110.db2.gz ULDNEUPKRTWLGC-UHFFFAOYSA-N 1 2 260.341 1.363 20 30 CDEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cnc[nH]1 ZINC001273022962 921603650 /nfs/dbraw/zinc/60/36/50/921603650.db2.gz AWAHVGDCWBJCCA-OAHLLOKOSA-N 1 2 274.368 1.553 20 30 CDEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cnc[nH]1 ZINC001273022962 921603657 /nfs/dbraw/zinc/60/36/57/921603657.db2.gz AWAHVGDCWBJCCA-OAHLLOKOSA-N 1 2 274.368 1.553 20 30 CDEDLO COC(=O)[C@H]1CCC[C@H]([NH2+]C2(C#N)CCOCC2)CC1 ZINC001172778190 911962261 /nfs/dbraw/zinc/96/22/61/911962261.db2.gz LFSLKILNQIZTKE-STQMWFEESA-N 1 2 280.368 1.771 20 30 CDEDLO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccns1 ZINC001089650065 915091322 /nfs/dbraw/zinc/09/13/22/915091322.db2.gz SXRIFOOZSKUYKB-GFCCVEGCSA-N 1 2 291.420 1.997 20 30 CDEDLO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccns1 ZINC001089650065 915091340 /nfs/dbraw/zinc/09/13/40/915091340.db2.gz SXRIFOOZSKUYKB-GFCCVEGCSA-N 1 2 291.420 1.997 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(OC)ccc2F)CC1 ZINC001137997261 936451431 /nfs/dbraw/zinc/45/14/31/936451431.db2.gz DQMKFSLIFFPQFG-UHFFFAOYSA-N 1 2 262.328 1.585 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001182932294 918238386 /nfs/dbraw/zinc/23/83/86/918238386.db2.gz JVTORQWROGCWAX-LLVKDONJSA-N 1 2 280.397 1.585 20 30 CDEDLO C=CCC[C@@H](C)[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127730980 918241730 /nfs/dbraw/zinc/24/17/30/918241730.db2.gz BVYVLKSREIJLDL-RKDXNWHRSA-N 1 2 270.270 1.947 20 30 CDEDLO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H](F)C(F)(F)F ZINC001127730980 918241741 /nfs/dbraw/zinc/24/17/41/918241741.db2.gz BVYVLKSREIJLDL-RKDXNWHRSA-N 1 2 270.270 1.947 20 30 CDEDLO Cn1cccc1C[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001203266277 918371030 /nfs/dbraw/zinc/37/10/30/918371030.db2.gz YNILOFICCUQLGT-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCOC[C@@H]2C)cc1OC ZINC001138342762 936522915 /nfs/dbraw/zinc/52/29/15/936522915.db2.gz CXYMLBKVWGXAEQ-ZDUSSCGKSA-N 1 2 275.348 1.928 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCOC[C@@H]2C)cc1OC ZINC001138342762 936522916 /nfs/dbraw/zinc/52/29/16/936522916.db2.gz CXYMLBKVWGXAEQ-ZDUSSCGKSA-N 1 2 275.348 1.928 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCc2ccco2)C1 ZINC001107732782 918704381 /nfs/dbraw/zinc/70/43/81/918704381.db2.gz JZEVBHRDSGXCMD-INIZCTEOSA-N 1 2 292.379 1.605 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCc2ccco2)C1 ZINC001107732782 918704390 /nfs/dbraw/zinc/70/43/90/918704390.db2.gz JZEVBHRDSGXCMD-INIZCTEOSA-N 1 2 292.379 1.605 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)CC)C1 ZINC001107752019 918729559 /nfs/dbraw/zinc/72/95/59/918729559.db2.gz NJLYCHWGRKTPRF-TZMCWYRMSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)CC)C1 ZINC001107752019 918729577 /nfs/dbraw/zinc/72/95/77/918729577.db2.gz NJLYCHWGRKTPRF-TZMCWYRMSA-N 1 2 254.374 1.426 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)/C=C(\C)C2CC2)C1 ZINC001107777779 918770658 /nfs/dbraw/zinc/77/06/58/918770658.db2.gz WKOLRERRUKUUJB-GWKQRERASA-N 1 2 290.407 1.573 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)/C=C(\C)C2CC2)C1 ZINC001107777779 918770664 /nfs/dbraw/zinc/77/06/64/918770664.db2.gz WKOLRERRUKUUJB-GWKQRERASA-N 1 2 290.407 1.573 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)/C=C\C2CC2)C1 ZINC001107839610 918856702 /nfs/dbraw/zinc/85/67/02/918856702.db2.gz QWWAHPJDKGNUHN-XHPSBEMXSA-N 1 2 264.369 1.346 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)/C=C\C2CC2)C1 ZINC001107839610 918856724 /nfs/dbraw/zinc/85/67/24/918856724.db2.gz QWWAHPJDKGNUHN-XHPSBEMXSA-N 1 2 264.369 1.346 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC2(C)C)C1 ZINC001107874533 918958226 /nfs/dbraw/zinc/95/82/26/918958226.db2.gz PBMUTPCIOGJCOV-IUODEOHRSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC2(C)C)C1 ZINC001107874533 918958238 /nfs/dbraw/zinc/95/82/38/918958238.db2.gz PBMUTPCIOGJCOV-IUODEOHRSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CO[C@H](C)CC)C1 ZINC001107877762 918966110 /nfs/dbraw/zinc/96/61/10/918966110.db2.gz XMKSZGXJKXUTQZ-HIFRSBDPSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CO[C@H](C)CC)C1 ZINC001107877762 918966125 /nfs/dbraw/zinc/96/61/25/918966125.db2.gz XMKSZGXJKXUTQZ-HIFRSBDPSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)c2ccc(O)cc2)CC1 ZINC001184279508 919036753 /nfs/dbraw/zinc/03/67/53/919036753.db2.gz OMNPUGFTBMSFFX-ZDUSSCGKSA-N 1 2 274.364 1.826 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccoc2CC)C1 ZINC001107908066 919037475 /nfs/dbraw/zinc/03/74/75/919037475.db2.gz GTMBDECXPJKNLQ-MRXNPFEDSA-N 1 2 292.379 1.849 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccoc2CC)C1 ZINC001107908066 919037487 /nfs/dbraw/zinc/03/74/87/919037487.db2.gz GTMBDECXPJKNLQ-MRXNPFEDSA-N 1 2 292.379 1.849 20 30 CDEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ncccn1 ZINC001272794961 919307109 /nfs/dbraw/zinc/30/71/09/919307109.db2.gz XSWCVPGCDNLACF-CHWSQXEVSA-N 1 2 272.352 1.228 20 30 CDEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ncccn1 ZINC001272794961 919307123 /nfs/dbraw/zinc/30/71/23/919307123.db2.gz XSWCVPGCDNLACF-CHWSQXEVSA-N 1 2 272.352 1.228 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC(C)C)C2 ZINC001110356438 919408346 /nfs/dbraw/zinc/40/83/46/919408346.db2.gz AJFXLKNIBMILRX-UPJWGTAASA-N 1 2 286.803 1.885 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC(C)C)C2 ZINC001110356438 919408351 /nfs/dbraw/zinc/40/83/51/919408351.db2.gz AJFXLKNIBMILRX-UPJWGTAASA-N 1 2 286.803 1.885 20 30 CDEDLO CCNC(=O)CO[C@@H]1CCC[N@@H+]([C@@H](CC)CC#N)C1 ZINC001255176323 936586757 /nfs/dbraw/zinc/58/67/57/936586757.db2.gz ZVDNDAUJUJRYOY-QWHCGFSZSA-N 1 2 267.373 1.296 20 30 CDEDLO CCNC(=O)CO[C@@H]1CCC[N@H+]([C@@H](CC)CC#N)C1 ZINC001255176323 936586758 /nfs/dbraw/zinc/58/67/58/936586758.db2.gz ZVDNDAUJUJRYOY-QWHCGFSZSA-N 1 2 267.373 1.296 20 30 CDEDLO N#CC1(NC(=O)c2ccccc2C[NH+]2CCOCC2)CCC1 ZINC001187416771 920533343 /nfs/dbraw/zinc/53/33/43/920533343.db2.gz ORUNKMJWAHMGRG-UHFFFAOYSA-N 1 2 299.374 1.695 20 30 CDEDLO C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CC(=C)Cl)C[C@H]21 ZINC001187882558 920741909 /nfs/dbraw/zinc/74/19/09/920741909.db2.gz RBVKSBMWQOBXOE-HZSPNIEDSA-N 1 2 296.798 1.310 20 30 CDEDLO C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC(=C)Cl)C[C@H]21 ZINC001187882558 920741917 /nfs/dbraw/zinc/74/19/17/920741917.db2.gz RBVKSBMWQOBXOE-HZSPNIEDSA-N 1 2 296.798 1.310 20 30 CDEDLO CSc1ncc(C[N@@H+]2CCC[C@H](CC#N)C2)c(N)n1 ZINC001140251148 936692074 /nfs/dbraw/zinc/69/20/74/936692074.db2.gz YRHHDUSKBPSDEO-SNVBAGLBSA-N 1 2 277.397 1.906 20 30 CDEDLO CSc1ncc(C[N@H+]2CCC[C@H](CC#N)C2)c(N)n1 ZINC001140251148 936692077 /nfs/dbraw/zinc/69/20/77/936692077.db2.gz YRHHDUSKBPSDEO-SNVBAGLBSA-N 1 2 277.397 1.906 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004397767 921821512 /nfs/dbraw/zinc/82/15/12/921821512.db2.gz QZJIYCFLDHBAAZ-GXTWGEPZSA-N 1 2 274.368 1.373 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004397767 921821523 /nfs/dbraw/zinc/82/15/23/921821523.db2.gz QZJIYCFLDHBAAZ-GXTWGEPZSA-N 1 2 274.368 1.373 20 30 CDEDLO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190271523 921944585 /nfs/dbraw/zinc/94/45/85/921944585.db2.gz ZPOCNRWNFCRNRX-UWVGGRQHSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CCC[N@H+](C)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190271523 921944591 /nfs/dbraw/zinc/94/45/91/921944591.db2.gz ZPOCNRWNFCRNRX-UWVGGRQHSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001190271523 921944602 /nfs/dbraw/zinc/94/46/02/921944602.db2.gz ZPOCNRWNFCRNRX-UWVGGRQHSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001190271523 921944614 /nfs/dbraw/zinc/94/46/14/921944614.db2.gz ZPOCNRWNFCRNRX-UWVGGRQHSA-N 1 2 282.281 1.996 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCC[NH2+]Cc1cnsn1)OCC ZINC001128527839 921975632 /nfs/dbraw/zinc/97/56/32/921975632.db2.gz CSWYEWZVXAVYBK-LBPRGKRZSA-N 1 2 298.412 1.115 20 30 CDEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C(C)(C)C)c2C1 ZINC001128559898 922040117 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ZINC001108119144 922522079 /nfs/dbraw/zinc/52/20/79/922522079.db2.gz JEPDQIUCTYDHQH-HNNXBMFYSA-N 1 2 266.385 1.592 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)C(F)(F)F)C1 ZINC001108133129 922699902 /nfs/dbraw/zinc/69/99/02/922699902.db2.gz VDSFNYCANTYZIX-CMPLNLGQSA-N 1 2 294.317 1.578 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)C(F)(F)F)C1 ZINC001108133129 922699906 /nfs/dbraw/zinc/69/99/06/922699906.db2.gz VDSFNYCANTYZIX-CMPLNLGQSA-N 1 2 294.317 1.578 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc([C@@H](C)O)cc2)CC1 ZINC001192348821 923021961 /nfs/dbraw/zinc/02/19/61/923021961.db2.gz QBTVWVHGQIJGIH-CYBMUJFWSA-N 1 2 274.364 1.684 20 30 CDEDLO C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192550730 923125419 /nfs/dbraw/zinc/12/54/19/923125419.db2.gz LAYYVRHDTCOOOY-HIFRSBDPSA-N 1 2 290.411 1.840 20 30 CDEDLO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192550730 923125428 /nfs/dbraw/zinc/12/54/28/923125428.db2.gz LAYYVRHDTCOOOY-HIFRSBDPSA-N 1 2 290.411 1.840 20 30 CDEDLO C#CCCCCC(=O)N[C@@H]1CC[N@@H+](CC(=C)Cl)C[C@@H]1O ZINC001099785115 936810257 /nfs/dbraw/zinc/81/02/57/936810257.db2.gz AOXCKYCVKFJRSL-KGLIPLIRSA-N 1 2 298.814 1.484 20 30 CDEDLO C#CCCCCC(=O)N[C@@H]1CC[N@H+](CC(=C)Cl)C[C@@H]1O ZINC001099785115 936810258 /nfs/dbraw/zinc/81/02/58/936810258.db2.gz AOXCKYCVKFJRSL-KGLIPLIRSA-N 1 2 298.814 1.484 20 30 CDEDLO CCN(Cc1sc(N)c(C#N)c1Cl)C1C[NH+](C)C1 ZINC001141113524 936814568 /nfs/dbraw/zinc/81/45/68/936814568.db2.gz JARYLHAPBDRYAF-UHFFFAOYSA-N 1 2 284.816 1.991 20 30 CDEDLO N#Cc1ccc(-c2ccc(-n3[nH]c(=O)nc3C[NH3+])cc2)o1 ZINC001168761167 923213863 /nfs/dbraw/zinc/21/38/63/923213863.db2.gz LNVAWYBYLDVMNG-UHFFFAOYSA-N 1 2 281.275 1.563 20 30 CDEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C)C(=O)OC ZINC000839169399 936907459 /nfs/dbraw/zinc/90/74/59/936907459.db2.gz SJZJADOXKRARJT-RVMXOQNASA-N 1 2 281.352 1.119 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cncnc2C)C1 ZINC001079446313 924319786 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C=C(C)CCC(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC001196011102 924784021 /nfs/dbraw/zinc/78/40/21/924784021.db2.gz YOVOMYSIRSKSLM-UHFFFAOYSA-N 1 2 281.400 1.013 20 30 CDEDLO C=C(C)CCC(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC001196011102 924784024 /nfs/dbraw/zinc/78/40/24/924784024.db2.gz YOVOMYSIRSKSLM-UHFFFAOYSA-N 1 2 281.400 1.013 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)co2)[C@H](OC)C1 ZINC001082042411 924845109 /nfs/dbraw/zinc/84/51/09/924845109.db2.gz NVENWJWZUDXYGI-TZMCWYRMSA-N 1 2 276.336 1.040 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)co2)[C@H](OC)C1 ZINC001082042411 924845117 /nfs/dbraw/zinc/84/51/17/924845117.db2.gz NVENWJWZUDXYGI-TZMCWYRMSA-N 1 2 276.336 1.040 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@]2(C)CC=C(C)CC2)[C@H](OC)C1 ZINC001082380265 924908095 /nfs/dbraw/zinc/90/80/95/924908095.db2.gz IUQBFEGASQOSAV-BFYDXBDKSA-N 1 2 290.407 1.572 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@]2(C)CC=C(C)CC2)[C@H](OC)C1 ZINC001082380265 924908103 /nfs/dbraw/zinc/90/81/03/924908103.db2.gz IUQBFEGASQOSAV-BFYDXBDKSA-N 1 2 290.407 1.572 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)CC2(C)CC2)CC1 ZINC001196539226 924931990 /nfs/dbraw/zinc/93/19/90/924931990.db2.gz HYYWAYHTDUEKGB-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)CC2(C)CC2)CC1 ZINC001196539226 924932000 /nfs/dbraw/zinc/93/20/00/924932000.db2.gz HYYWAYHTDUEKGB-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC[N@H+](CCF)CC1 ZINC001196665882 924958449 /nfs/dbraw/zinc/95/84/49/924958449.db2.gz JGZZFIBRVPFBLB-HNNXBMFYSA-N 1 2 286.391 1.719 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC001196665882 924958457 /nfs/dbraw/zinc/95/84/57/924958457.db2.gz JGZZFIBRVPFBLB-HNNXBMFYSA-N 1 2 286.391 1.719 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001196880639 924998718 /nfs/dbraw/zinc/99/87/18/924998718.db2.gz MNHMDMLGAXURMG-KGLIPLIRSA-N 1 2 293.411 1.012 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001196880639 924998724 /nfs/dbraw/zinc/99/87/24/924998724.db2.gz MNHMDMLGAXURMG-KGLIPLIRSA-N 1 2 293.411 1.012 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](CC(C)C)OC)C1 ZINC001108192872 925003186 /nfs/dbraw/zinc/00/31/86/925003186.db2.gz UOQURWPGJZYJFR-GOEBONIOSA-N 1 2 298.427 1.441 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](CC(C)C)OC)C1 ZINC001108192872 925003195 /nfs/dbraw/zinc/00/31/95/925003195.db2.gz UOQURWPGJZYJFR-GOEBONIOSA-N 1 2 298.427 1.441 20 30 CDEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3scnc3C)[C@H]2C1 ZINC001083011359 925075084 /nfs/dbraw/zinc/07/50/84/925075084.db2.gz UXFZJISQGSPXMB-NWDGAFQWSA-N 1 2 293.392 1.163 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3scnc3C)[C@H]2C1 ZINC001083011359 925075093 /nfs/dbraw/zinc/07/50/93/925075093.db2.gz UXFZJISQGSPXMB-NWDGAFQWSA-N 1 2 293.392 1.163 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc[nH]c3)[C@@H]2C1 ZINC001084361414 925238224 /nfs/dbraw/zinc/23/82/24/925238224.db2.gz JJYHUEOGZQFPOT-CHWSQXEVSA-N 1 2 279.771 1.914 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc[nH]c3)[C@@H]2C1 ZINC001084361414 925238226 /nfs/dbraw/zinc/23/82/26/925238226.db2.gz JJYHUEOGZQFPOT-CHWSQXEVSA-N 1 2 279.771 1.914 20 30 CDEDLO Cc1nc(NCCN(C)C(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001101571774 936990317 /nfs/dbraw/zinc/99/03/17/936990317.db2.gz PUAPIHDDXRJDII-UHFFFAOYSA-N 1 2 284.323 1.169 20 30 CDEDLO CN(CCNc1ccc(C#N)cn1)C(=O)CCn1cc[nH+]c1 ZINC001101889345 937023639 /nfs/dbraw/zinc/02/36/39/937023639.db2.gz YFABAUCXQZBTJJ-UHFFFAOYSA-N 1 2 298.350 1.110 20 30 CDEDLO N#Cc1ccc(C(=O)Nc2ccn3cc[nH+]c3c2)[nH]1 ZINC001199680354 925809568 /nfs/dbraw/zinc/80/95/68/925809568.db2.gz NYSNAOHWMPXAMS-UHFFFAOYSA-N 1 2 251.249 1.786 20 30 CDEDLO N#Cc1cnc(CNC(=O)[C@H]2CC3CC[NH+]2CC3)s1 ZINC001142637708 937044779 /nfs/dbraw/zinc/04/47/79/937044779.db2.gz OPDQGUVRZGJMTD-LLVKDONJSA-N 1 2 276.365 1.115 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)oc1C ZINC001085477999 926039875 /nfs/dbraw/zinc/03/98/75/926039875.db2.gz MTVUEQLMZOOHDX-CYBMUJFWSA-N 1 2 260.337 1.676 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)oc1C ZINC001085477999 926039884 /nfs/dbraw/zinc/03/98/84/926039884.db2.gz MTVUEQLMZOOHDX-CYBMUJFWSA-N 1 2 260.337 1.676 20 30 CDEDLO C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1snnc1C ZINC001085479642 926046816 /nfs/dbraw/zinc/04/68/16/926046816.db2.gz XFIQMPQCJIKJEY-NSHDSACASA-N 1 2 278.381 1.016 20 30 CDEDLO C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1snnc1C ZINC001085479642 926046828 /nfs/dbraw/zinc/04/68/28/926046828.db2.gz XFIQMPQCJIKJEY-NSHDSACASA-N 1 2 278.381 1.016 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(OC)c(F)c1 ZINC001085652070 926248802 /nfs/dbraw/zinc/24/88/02/926248802.db2.gz MFFVRCVDROASOJ-ZDUSSCGKSA-N 1 2 290.338 1.614 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(OC)c(F)c1 ZINC001085652070 926248810 /nfs/dbraw/zinc/24/88/10/926248810.db2.gz MFFVRCVDROASOJ-ZDUSSCGKSA-N 1 2 290.338 1.614 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccnc1C1CC1 ZINC001085698756 926298876 /nfs/dbraw/zinc/29/88/76/926298876.db2.gz VODRJZDMGLVNQC-CQSZACIVSA-N 1 2 283.375 1.739 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccnc1C1CC1 ZINC001085698756 926298884 /nfs/dbraw/zinc/29/88/84/926298884.db2.gz VODRJZDMGLVNQC-CQSZACIVSA-N 1 2 283.375 1.739 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc(C2CC2)c1 ZINC001085700724 926299555 /nfs/dbraw/zinc/29/95/55/926299555.db2.gz WDPLJVQWMUUHHW-OAHLLOKOSA-N 1 2 283.375 1.739 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc(C2CC2)c1 ZINC001085700724 926299563 /nfs/dbraw/zinc/29/95/63/926299563.db2.gz WDPLJVQWMUUHHW-OAHLLOKOSA-N 1 2 283.375 1.739 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1conc1CC ZINC001085804720 926409463 /nfs/dbraw/zinc/40/94/63/926409463.db2.gz PPOLERBGJQRZAT-LLVKDONJSA-N 1 2 261.325 1.017 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1conc1CC ZINC001085804720 926409468 /nfs/dbraw/zinc/40/94/68/926409468.db2.gz PPOLERBGJQRZAT-LLVKDONJSA-N 1 2 261.325 1.017 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(Cl)[nH]1 ZINC001085805914 926415895 /nfs/dbraw/zinc/41/58/95/926415895.db2.gz UGEISWSSAUZVLY-JTQLQIEISA-N 1 2 265.744 1.448 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(Cl)[nH]1 ZINC001085805914 926415900 /nfs/dbraw/zinc/41/59/00/926415900.db2.gz UGEISWSSAUZVLY-JTQLQIEISA-N 1 2 265.744 1.448 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(C(C)C)n1 ZINC001085852312 926450998 /nfs/dbraw/zinc/45/09/98/926450998.db2.gz UCEUBYJNTAOTCU-CYBMUJFWSA-N 1 2 274.368 1.244 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(C(C)C)n1 ZINC001085852312 926451003 /nfs/dbraw/zinc/45/10/03/926451003.db2.gz UCEUBYJNTAOTCU-CYBMUJFWSA-N 1 2 274.368 1.244 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ncccc1OC ZINC001085945112 926527728 /nfs/dbraw/zinc/52/77/28/926527728.db2.gz AFYGQFKXGYSBHT-CYBMUJFWSA-N 1 2 287.363 1.260 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncccc1OC ZINC001085945112 926527735 /nfs/dbraw/zinc/52/77/35/926527735.db2.gz AFYGQFKXGYSBHT-CYBMUJFWSA-N 1 2 287.363 1.260 20 30 CDEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001110579757 926535971 /nfs/dbraw/zinc/53/59/71/926535971.db2.gz IYXGKEKKIGXXMM-IMSYWVGJSA-N 1 2 280.265 1.794 20 30 CDEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001110579757 926535978 /nfs/dbraw/zinc/53/59/78/926535978.db2.gz IYXGKEKKIGXXMM-IMSYWVGJSA-N 1 2 280.265 1.794 20 30 CDEDLO CCN(C(=O)C#CC1CC1)[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102804679 937089716 /nfs/dbraw/zinc/08/97/16/937089716.db2.gz GQZIXWQGYXIMEE-OAHLLOKOSA-N 1 2 298.390 1.626 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)cccc1F ZINC001085998672 926583148 /nfs/dbraw/zinc/58/31/48/926583148.db2.gz JPLIBPDWSLSMDN-CYBMUJFWSA-N 1 2 274.339 1.914 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)cccc1F ZINC001085998672 926583152 /nfs/dbraw/zinc/58/31/52/926583152.db2.gz JPLIBPDWSLSMDN-CYBMUJFWSA-N 1 2 274.339 1.914 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(-c3ccccc3)nn2C)CC1 ZINC001143014784 937105387 /nfs/dbraw/zinc/10/53/87/937105387.db2.gz ACRPHBQGJLIADM-UHFFFAOYSA-N 1 2 294.402 1.838 20 30 CDEDLO C#CCN1CC[NH+](Cc2cc(-c3ccccc3)nn2C)CC1 ZINC001143014784 937105389 /nfs/dbraw/zinc/10/53/89/937105389.db2.gz ACRPHBQGJLIADM-UHFFFAOYSA-N 1 2 294.402 1.838 20 30 CDEDLO C#CCO[C@H](C)C(=O)NC[C@H](CC)Nc1cc[nH+]c(C)n1 ZINC001103197021 937127647 /nfs/dbraw/zinc/12/76/47/937127647.db2.gz ZSHJYGAFYFRYGL-YPMHNXCESA-N 1 2 290.367 1.130 20 30 CDEDLO C=CCCC(=O)N[C@@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001108286603 927266344 /nfs/dbraw/zinc/26/63/44/927266344.db2.gz VVGGVDGBYUEQNB-JTQLQIEISA-N 1 2 292.387 1.129 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1ccc(Cl)nc1)C1CC1 ZINC000851937948 927668070 /nfs/dbraw/zinc/66/80/70/927668070.db2.gz FOPBIQQGECTOKV-UHFFFAOYSA-N 1 2 263.728 1.771 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1ccc(Cl)nc1)C1CC1 ZINC000851937948 927668077 /nfs/dbraw/zinc/66/80/77/927668077.db2.gz FOPBIQQGECTOKV-UHFFFAOYSA-N 1 2 263.728 1.771 20 30 CDEDLO C#CCC(C)(C)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000782313818 937246824 /nfs/dbraw/zinc/24/68/24/937246824.db2.gz IOCWVPMKICVZTE-LBPRGKRZSA-N 1 2 253.342 1.300 20 30 CDEDLO COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001108846559 928669140 /nfs/dbraw/zinc/66/91/40/928669140.db2.gz AWFPGRNOLCDLOJ-PMPSAXMXSA-N 1 2 299.374 1.426 20 30 CDEDLO COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001108846559 928669144 /nfs/dbraw/zinc/66/91/44/928669144.db2.gz AWFPGRNOLCDLOJ-PMPSAXMXSA-N 1 2 299.374 1.426 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N[C@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001108922620 928724100 /nfs/dbraw/zinc/72/41/00/928724100.db2.gz BICKBAJVCSLJII-IAQYHMDHSA-N 1 2 292.383 1.053 20 30 CDEDLO C#CCCCC(=O)N1C[C@@H](C)[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001112309979 937296026 /nfs/dbraw/zinc/29/60/26/937296026.db2.gz CTEUIBUWWJSZKB-OCCSQVGLSA-N 1 2 286.379 1.847 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[NH+](CCOCC2CCC2)CC1 ZINC001112711046 929353994 /nfs/dbraw/zinc/35/39/94/929353994.db2.gz OHDKIJCOYTZUSU-CYBMUJFWSA-N 1 2 279.384 1.107 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[NH2+]Cc1nncs1 ZINC001134411707 929735365 /nfs/dbraw/zinc/73/53/65/929735365.db2.gz CHMCBJZTYIZECF-UHFFFAOYSA-N 1 2 268.386 1.346 20 30 CDEDLO C=C[C@@H]1C[C@@]1([NH2+][C@@H]1CCCOCC1)C(=O)OCC ZINC001170791711 930048223 /nfs/dbraw/zinc/04/82/23/930048223.db2.gz CNNZAENKFYCDNU-BZPMIXESSA-N 1 2 253.342 1.653 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)OCCCc1[nH+]ccn1C ZINC000816033143 930152468 /nfs/dbraw/zinc/15/24/68/930152468.db2.gz CHLLSIIMTGFAKT-UHFFFAOYSA-N 1 2 284.319 1.785 20 30 CDEDLO C=CC[C@@H](NC(=O)CCCn1cc[nH+]c1)C(=O)OCC ZINC001116587293 937458432 /nfs/dbraw/zinc/45/84/32/937458432.db2.gz MKZSAKRTERLAMC-GFCCVEGCSA-N 1 2 279.340 1.287 20 30 CDEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cncc(CC#N)c2)cc1 ZINC001170984068 931145125 /nfs/dbraw/zinc/14/51/25/931145125.db2.gz JWXYTCFJRWOVJT-UHFFFAOYSA-N 1 2 294.314 1.971 20 30 CDEDLO Cn1ccc(NC(=[NH2+])c2ccc3ccccc3n2)cc1=O ZINC001171046211 931399333 /nfs/dbraw/zinc/39/93/33/931399333.db2.gz MQCPSCLEGIHWTB-UHFFFAOYSA-N 1 2 278.315 1.971 20 30 CDEDLO Cc1cccn2c(CN3CCC(=O)[C@@H](C#N)C3)c[nH+]c12 ZINC001136964385 931486736 /nfs/dbraw/zinc/48/67/36/931486736.db2.gz MNWHDENWJVBPRT-LBPRGKRZSA-N 1 2 268.320 1.557 20 30 CDEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cnc(C)[nH]1)CC2 ZINC001274575351 931510022 /nfs/dbraw/zinc/51/00/22/931510022.db2.gz DPMZULYCZZRZNZ-CQSZACIVSA-N 1 2 288.395 1.622 20 30 CDEDLO C#CCN1CC[C@]2(CCCN(c3cccc[nH+]3)CC2)C1=O ZINC001274739389 931563729 /nfs/dbraw/zinc/56/37/29/931563729.db2.gz IKJCILUNARWVJI-QGZVFWFLSA-N 1 2 283.375 1.924 20 30 CDEDLO C=CCNC(=O)[C@H]1CC12CCN(c1cccc[nH+]1)CC2 ZINC001274739134 931563732 /nfs/dbraw/zinc/56/37/32/931563732.db2.gz ADTNBNNWKQZQLI-CYBMUJFWSA-N 1 2 271.364 1.990 20 30 CDEDLO CCOC(=O)C1(F)CC[NH+](Cc2cncc(C#N)c2)CC1 ZINC001144079966 931650733 /nfs/dbraw/zinc/65/07/33/931650733.db2.gz QZNLGFCJQJOZFA-UHFFFAOYSA-N 1 2 291.326 1.820 20 30 CDEDLO N#CCNC1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001091098337 931827334 /nfs/dbraw/zinc/82/73/34/931827334.db2.gz MFCKHWBBBMLEHY-UHFFFAOYSA-N 1 2 283.335 1.184 20 30 CDEDLO C#CC[N@@H+](Cc1cccc(S(C)(=O)=O)c1)CC1CC1 ZINC001117743541 937548043 /nfs/dbraw/zinc/54/80/43/937548043.db2.gz HQNRLGVDRFHWDK-UHFFFAOYSA-N 1 2 277.389 1.935 20 30 CDEDLO C#CC[N@H+](Cc1cccc(S(C)(=O)=O)c1)CC1CC1 ZINC001117743541 937548045 /nfs/dbraw/zinc/54/80/45/937548045.db2.gz HQNRLGVDRFHWDK-UHFFFAOYSA-N 1 2 277.389 1.935 20 30 CDEDLO Cc1nc(N[C@@H]2CC[C@H](CNC(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001091557880 932243616 /nfs/dbraw/zinc/24/36/16/932243616.db2.gz UZTQAIUMQHHCQR-WCFLWFBJSA-N 1 2 287.367 1.642 20 30 CDEDLO C[C@@H](C#N)CNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001412575482 932512435 /nfs/dbraw/zinc/51/24/35/932512435.db2.gz TWLBMGSQPYAWCA-JTQLQIEISA-N 1 2 270.292 1.467 20 30 CDEDLO C=CCO[C@H](C)C(=O)NCCCN(C)c1cc[nH+]c(C)n1 ZINC001095580925 932720204 /nfs/dbraw/zinc/72/02/04/932720204.db2.gz XJQIWSUXJCZXKE-GFCCVEGCSA-N 1 2 292.383 1.319 20 30 CDEDLO C[C@@H](C#N)c1cccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC001148623991 932763989 /nfs/dbraw/zinc/76/39/89/932763989.db2.gz JXJZVEJIDQPYOD-WFASDCNBSA-N 1 2 287.363 1.374 20 30 CDEDLO C[C@@H](C#N)c1cccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC001148623991 932763995 /nfs/dbraw/zinc/76/39/95/932763995.db2.gz JXJZVEJIDQPYOD-WFASDCNBSA-N 1 2 287.363 1.374 20 30 CDEDLO Cc1nc(NC2CC(CNC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001092216324 932928355 /nfs/dbraw/zinc/92/83/55/932928355.db2.gz OXWIBPQIIOYFLE-UHFFFAOYSA-N 1 2 284.363 1.505 20 30 CDEDLO C=CCN(CC[N@@H+]1CCC(F)(F)[C@@H](N)C1)C(=O)OCC ZINC001206657530 937659936 /nfs/dbraw/zinc/65/99/36/937659936.db2.gz RUNXOYRVRWKTQU-NSHDSACASA-N 1 2 291.342 1.299 20 30 CDEDLO C=CCN(CC[N@H+]1CCC(F)(F)[C@@H](N)C1)C(=O)OCC ZINC001206657530 937659937 /nfs/dbraw/zinc/65/99/37/937659937.db2.gz RUNXOYRVRWKTQU-NSHDSACASA-N 1 2 291.342 1.299 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C)o3)C[C@H]21 ZINC001114672731 934904224 /nfs/dbraw/zinc/90/42/24/934904224.db2.gz UIPNCZKYHPCAMN-IMRBUKKESA-N 1 2 289.379 1.742 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(C)o3)C[C@H]21 ZINC001114672731 934904226 /nfs/dbraw/zinc/90/42/26/934904226.db2.gz UIPNCZKYHPCAMN-IMRBUKKESA-N 1 2 289.379 1.742 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(Cl)cn1C ZINC001038481327 935746820 /nfs/dbraw/zinc/74/68/20/935746820.db2.gz ONXCVXHWPWKOJW-NSHDSACASA-N 1 2 265.744 1.116 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cl)cn1C ZINC001038481327 935746822 /nfs/dbraw/zinc/74/68/22/935746822.db2.gz ONXCVXHWPWKOJW-NSHDSACASA-N 1 2 265.744 1.116 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1OC ZINC001038958610 935764493 /nfs/dbraw/zinc/76/44/93/935764493.db2.gz XEYWAHFNLPNBKD-CYBMUJFWSA-N 1 2 272.348 1.523 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1OC ZINC001038958610 935764495 /nfs/dbraw/zinc/76/44/95/935764495.db2.gz XEYWAHFNLPNBKD-CYBMUJFWSA-N 1 2 272.348 1.523 20 30 CDEDLO Cc1nc(N2CCC[C@H](NC(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001096153101 935988295 /nfs/dbraw/zinc/98/82/95/935988295.db2.gz VPYHFEJCWFZGTE-JQWIXIFHSA-N 1 2 273.340 1.030 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCF)nc1 ZINC001096379133 936055422 /nfs/dbraw/zinc/05/54/22/936055422.db2.gz HEMUKSCPFTVNBY-SNPRPXQTSA-N 1 2 287.338 1.368 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCF)nc1 ZINC001096379133 936055424 /nfs/dbraw/zinc/05/54/24/936055424.db2.gz HEMUKSCPFTVNBY-SNPRPXQTSA-N 1 2 287.338 1.368 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001156320148 938351164 /nfs/dbraw/zinc/35/11/64/938351164.db2.gz RYQFCRRLAFYKDA-LBPRGKRZSA-N 1 2 283.291 1.445 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1ncc(C#N)nc1C ZINC001157462423 938496526 /nfs/dbraw/zinc/49/65/26/938496526.db2.gz HSKKZLRWARHIPR-UHFFFAOYSA-N 1 2 256.313 1.380 20 30 CDEDLO N#CCc1ccnc(N[C@@H]2CCC[N@@H+](C3COC3)C2)c1 ZINC001157586174 938515893 /nfs/dbraw/zinc/51/58/93/938515893.db2.gz UFGGDUTWMXYDSA-CYBMUJFWSA-N 1 2 272.352 1.423 20 30 CDEDLO N#CCc1ccnc(N[C@@H]2CCC[N@H+](C3COC3)C2)c1 ZINC001157586174 938515897 /nfs/dbraw/zinc/51/58/97/938515897.db2.gz UFGGDUTWMXYDSA-CYBMUJFWSA-N 1 2 272.352 1.423 20 30 CDEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1[nH+]ccc2ccccc21 ZINC001160173582 938772894 /nfs/dbraw/zinc/77/28/94/938772894.db2.gz PUMPYYWKUSZFOC-CABZTGNLSA-N 1 2 257.293 1.883 20 30 CDEDLO C#CCCN1CCC[C@H](Nc2[nH+]ccc(F)c2C)C1=O ZINC001160899445 938840930 /nfs/dbraw/zinc/84/09/30/938840930.db2.gz FHPNHFJFIUKNEZ-ZDUSSCGKSA-N 1 2 275.327 1.955 20 30 CDEDLO CCC(=O)N1CC[C@H](Nc2cc(CC#N)cc[nH+]2)C1 ZINC001161111665 938872419 /nfs/dbraw/zinc/87/24/19/938872419.db2.gz HDTYFTMSDFDKNQ-LBPRGKRZSA-N 1 2 258.325 1.570 20 30 CDEDLO COC(=O)N1CCN(c2[nH+]ccc3ccc(C#N)cc32)CC1 ZINC001163683523 939307914 /nfs/dbraw/zinc/30/79/14/939307914.db2.gz SENOGPABWMNMNF-UHFFFAOYSA-N 1 2 296.330 1.995 20 30 CDEDLO COC(=O)c1ccc2nc(N3CC[NH2+]C[C@H]3C#N)ccc2c1 ZINC001164641162 939500923 /nfs/dbraw/zinc/50/09/23/939500923.db2.gz GOZRKSQXSCYUEE-CYBMUJFWSA-N 1 2 296.330 1.323 20 30 CDEDLO CCOC(=O)c1cc2ccnc(N3CC[NH2+]C[C@H]3C#N)c2[nH]1 ZINC001164640480 939500975 /nfs/dbraw/zinc/50/09/75/939500975.db2.gz AAPNNVHTLGXIKQ-LLVKDONJSA-N 1 2 299.334 1.041 20 30 CDEDLO Cc1cc2ccccc2c(N2CC[NH2+]C[C@H]2C#N)n1 ZINC001164651436 939502120 /nfs/dbraw/zinc/50/21/20/939502120.db2.gz HEVOIPMSCZTOPX-CYBMUJFWSA-N 1 2 252.321 1.845 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ncccn2)C[C@H]1C ZINC001206912372 940110525 /nfs/dbraw/zinc/11/05/25/940110525.db2.gz IBERKYXUJLQNHE-ZIAGYGMSSA-N 1 2 286.379 1.217 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ncccn2)C[C@H]1C ZINC001206912372 940110527 /nfs/dbraw/zinc/11/05/27/940110527.db2.gz IBERKYXUJLQNHE-ZIAGYGMSSA-N 1 2 286.379 1.217 20 30 CDEDLO CC(C)(CN1C[C@@H](F)C[C@H]1C#N)[NH+]1CCOCC1 ZINC001207304663 940177630 /nfs/dbraw/zinc/17/76/30/940177630.db2.gz BZNNXDCYTQSDTJ-RYUDHWBXSA-N 1 2 255.337 1.033 20 30 CDEDLO C=CCCC(=O)N1CCC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001207635501 940224520 /nfs/dbraw/zinc/22/45/20/940224520.db2.gz LERVYUQORQOPBJ-LBPRGKRZSA-N 1 2 278.356 1.425 20 30 CDEDLO C#CCCCC(=O)N1CCC[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001207944023 940266858 /nfs/dbraw/zinc/26/68/58/940266858.db2.gz HWEOUNOCCNKHRC-ZDUSSCGKSA-N 1 2 290.367 1.262 20 30 CDEDLO C=CCCCC(=O)N1CCC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001209335447 940462496 /nfs/dbraw/zinc/46/24/96/940462496.db2.gz MCDJNVCMCCHGDU-GFCCVEGCSA-N 1 2 294.424 1.975 20 30 CDEDLO N#Cc1ccnc(CN2CC3(CC[N@@H+]3Cc3ccc[nH]3)C2)c1 ZINC001276688131 940705528 /nfs/dbraw/zinc/70/55/28/940705528.db2.gz UPRBYFVGSLEBBC-UHFFFAOYSA-N 1 2 293.374 1.742 20 30 CDEDLO N#Cc1ccnc(CN2CC3(CC[N@H+]3Cc3ccc[nH]3)C2)c1 ZINC001276688131 940705529 /nfs/dbraw/zinc/70/55/29/940705529.db2.gz UPRBYFVGSLEBBC-UHFFFAOYSA-N 1 2 293.374 1.742 20 30 CDEDLO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1[nH]c(=O)nc2[nH]ccc21 ZINC001218452485 941220052 /nfs/dbraw/zinc/22/00/52/941220052.db2.gz ZFMDFHUSXHRKIK-GHMZBOCLSA-N 1 2 274.324 1.739 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)CC(C)(C)C)[C@H]2C1 ZINC001218737212 941263150 /nfs/dbraw/zinc/26/31/50/941263150.db2.gz IQNLPYQHUYASHE-QLFBSQMISA-N 1 2 292.423 1.604 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)CC(C)(C)C)[C@H]2C1 ZINC001218737212 941263151 /nfs/dbraw/zinc/26/31/51/941263151.db2.gz IQNLPYQHUYASHE-QLFBSQMISA-N 1 2 292.423 1.604 20 30 CDEDLO COC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc([C@H](C)C#N)cc1 ZINC001218871305 941282067 /nfs/dbraw/zinc/28/20/67/941282067.db2.gz KTZZDQYESJVMFQ-SKDRFNHKSA-N 1 2 275.308 1.143 20 30 CDEDLO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)ncc1[N+](=O)[O-] ZINC001225661959 941896385 /nfs/dbraw/zinc/89/63/85/941896385.db2.gz MJDRUVYLYOPBKW-OTDFPYDRSA-N 1 2 291.307 1.289 20 30 CDEDLO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)ncc1[N+](=O)[O-] ZINC001225661959 941896389 /nfs/dbraw/zinc/89/63/89/941896389.db2.gz MJDRUVYLYOPBKW-OTDFPYDRSA-N 1 2 291.307 1.289 20 30 CDEDLO Cc1cc(=O)[nH]c(O[C@H]2CCC[N@@H+](C)CC2)c1C#N ZINC001226222223 941969540 /nfs/dbraw/zinc/96/95/40/941969540.db2.gz WKTTVDFHGSPYSY-NSHDSACASA-N 1 2 261.325 1.830 20 30 CDEDLO Cc1cc(=O)[nH]c(O[C@H]2CCC[N@H+](C)CC2)c1C#N ZINC001226222223 941969542 /nfs/dbraw/zinc/96/95/42/941969542.db2.gz WKTTVDFHGSPYSY-NSHDSACASA-N 1 2 261.325 1.830 20 30 CDEDLO Cc1n[nH]cc1C[N@@H+]1CC[C@@H]2C[C@@]21C(=O)NC1(C#N)CCC1 ZINC001277231780 942202128 /nfs/dbraw/zinc/20/21/28/942202128.db2.gz YWHRZHUCIOTAFI-CJNGLKHVSA-N 1 2 299.378 1.245 20 30 CDEDLO Cc1n[nH]cc1C[N@H+]1CC[C@@H]2C[C@@]21C(=O)NC1(C#N)CCC1 ZINC001277231780 942202131 /nfs/dbraw/zinc/20/21/31/942202131.db2.gz YWHRZHUCIOTAFI-CJNGLKHVSA-N 1 2 299.378 1.245 20 30 CDEDLO CSc1nc(C)cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)n1 ZINC001228909105 942392089 /nfs/dbraw/zinc/39/20/89/942392089.db2.gz DWWDWDISIHNMAR-NJFCNUMCSA-N 1 2 293.392 1.498 20 30 CDEDLO CSc1nc(C)cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)n1 ZINC001228909105 942392093 /nfs/dbraw/zinc/39/20/93/942392093.db2.gz DWWDWDISIHNMAR-NJFCNUMCSA-N 1 2 293.392 1.498 20 30 CDEDLO C=CCCCC(=O)NC1CC[NH+](Cc2nonc2C)CC1 ZINC001228927496 942395658 /nfs/dbraw/zinc/39/56/58/942395658.db2.gz CMDFLVCXVNAIMB-UHFFFAOYSA-N 1 2 292.383 1.815 20 30 CDEDLO C=CCCOCC(=O)NC1CC[NH+](Cc2ccon2)CC1 ZINC001230411906 942618662 /nfs/dbraw/zinc/61/86/62/942618662.db2.gz WEOOTEADAGTDDS-UHFFFAOYSA-N 1 2 293.367 1.348 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CCOC)C1 ZINC001282681435 942739485 /nfs/dbraw/zinc/73/94/85/942739485.db2.gz HYQCVMLAWKTDCS-SNVBAGLBSA-N 1 2 260.765 1.212 20 30 CDEDLO N#Cc1ccnc(C[N@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)c1 ZINC001232478502 943293703 /nfs/dbraw/zinc/29/37/03/943293703.db2.gz WFOFENFGBLMVJD-NEPJUHHUSA-N 1 2 265.263 1.419 20 30 CDEDLO N#Cc1ccnc(C[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)c1 ZINC001232478502 943293708 /nfs/dbraw/zinc/29/37/08/943293708.db2.gz WFOFENFGBLMVJD-NEPJUHHUSA-N 1 2 265.263 1.419 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2O)C[C@]1(C)O ZINC001232674195 943355939 /nfs/dbraw/zinc/35/59/39/943355939.db2.gz SROWTGJOWZUOMN-ABAIWWIYSA-N 1 2 260.337 1.857 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)C[C@]1(C)O ZINC001232674195 943355944 /nfs/dbraw/zinc/35/59/44/943355944.db2.gz SROWTGJOWZUOMN-ABAIWWIYSA-N 1 2 260.337 1.857 20 30 CDEDLO N#Cc1cc[nH]c1C[NH+]1CCC2(C[C@@H](F)CO2)CC1 ZINC001233047696 943474695 /nfs/dbraw/zinc/47/46/95/943474695.db2.gz JCMPIDUOYYVADC-GFCCVEGCSA-N 1 2 263.316 1.979 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(O)c3[nH]c(=O)ccc23)CC1 ZINC001233294416 943533774 /nfs/dbraw/zinc/53/37/74/943533774.db2.gz JFXWPGHPHVBPHC-UHFFFAOYSA-N 1 2 297.358 1.397 20 30 CDEDLO CC(=O)N1CC[N@@H+](Cc2ccc(C#N)cc2O)C[C@H]1C ZINC001233387814 943572662 /nfs/dbraw/zinc/57/26/62/943572662.db2.gz ZPOYXCJPIMVZKC-LLVKDONJSA-N 1 2 273.336 1.316 20 30 CDEDLO CC(=O)N1CC[N@H+](Cc2ccc(C#N)cc2O)C[C@H]1C ZINC001233387814 943572663 /nfs/dbraw/zinc/57/26/63/943572663.db2.gz ZPOYXCJPIMVZKC-LLVKDONJSA-N 1 2 273.336 1.316 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ocnc1C ZINC001233947887 943698149 /nfs/dbraw/zinc/69/81/49/943698149.db2.gz OVEJXWXRKFHOAW-AWEZNQCLSA-N 1 2 289.379 1.819 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ocnc1C ZINC001233947887 943698153 /nfs/dbraw/zinc/69/81/53/943698153.db2.gz OVEJXWXRKFHOAW-AWEZNQCLSA-N 1 2 289.379 1.819 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cnc(C)o1 ZINC001233946687 943698637 /nfs/dbraw/zinc/69/86/37/943698637.db2.gz DFBXOLJUMCBHAS-AWEZNQCLSA-N 1 2 289.379 1.819 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cnc(C)o1 ZINC001233946687 943698639 /nfs/dbraw/zinc/69/86/39/943698639.db2.gz DFBXOLJUMCBHAS-AWEZNQCLSA-N 1 2 289.379 1.819 20 30 CDEDLO Cc1c(=O)cc[nH]c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001234175999 943764777 /nfs/dbraw/zinc/76/47/77/943764777.db2.gz CIXBVZMAIZPODL-NJFCNUMCSA-N 1 2 262.309 1.087 20 30 CDEDLO Cc1c(=O)cc[nH]c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001234175999 943764781 /nfs/dbraw/zinc/76/47/81/943764781.db2.gz CIXBVZMAIZPODL-NJFCNUMCSA-N 1 2 262.309 1.087 20 30 CDEDLO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NC ZINC001234509394 943872005 /nfs/dbraw/zinc/87/20/05/943872005.db2.gz LNDCXAUDWRZDSW-AWEZNQCLSA-N 1 2 293.411 1.034 20 30 CDEDLO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NC ZINC001234509394 943872012 /nfs/dbraw/zinc/87/20/12/943872012.db2.gz LNDCXAUDWRZDSW-AWEZNQCLSA-N 1 2 293.411 1.034 20 30 CDEDLO Cc1cnc(C#N)c(NS(=O)(=O)CC2CC[NH2+]CC2)c1 ZINC001237514925 944821668 /nfs/dbraw/zinc/82/16/68/944821668.db2.gz LJVOOVUPOMQKJL-UHFFFAOYSA-N 1 2 294.380 1.003 20 30 CDEDLO CNC(=O)C1CC[NH+](Cc2cc(C#N)c(F)cc2F)CC1 ZINC001237531777 944826691 /nfs/dbraw/zinc/82/66/91/944826691.db2.gz KOLRBPZGRAEIRQ-UHFFFAOYSA-N 1 2 293.317 1.794 20 30 CDEDLO C=CCS(=O)(=O)N1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC001259927340 945711694 /nfs/dbraw/zinc/71/16/94/945711694.db2.gz ZUYUAVKFDVDQHT-CQSZACIVSA-N 1 2 280.393 1.491 20 30 CDEDLO C=CCS(=O)(=O)N1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC001259927340 945711699 /nfs/dbraw/zinc/71/16/99/945711699.db2.gz ZUYUAVKFDVDQHT-CQSZACIVSA-N 1 2 280.393 1.491 20 30 CDEDLO COC(=O)c1ccc(-c2c[nH+]cn2C)cc1CC#N ZINC001243071346 947005695 /nfs/dbraw/zinc/00/56/95/947005695.db2.gz QHLBRLPALHWWIX-UHFFFAOYSA-N 1 2 255.277 1.940 20 30 CDEDLO CCOCc1ncn2c1C[N@@H+]([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC001254666494 947579712 /nfs/dbraw/zinc/57/97/12/947579712.db2.gz VRTZGIDJJCGBPN-CHWSQXEVSA-N 1 2 274.368 1.927 20 30 CDEDLO CCOCc1ncn2c1C[N@H+]([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC001254666494 947579721 /nfs/dbraw/zinc/57/97/21/947579721.db2.gz VRTZGIDJJCGBPN-CHWSQXEVSA-N 1 2 274.368 1.927 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CCc2nnc(Cn3cccc3)n2CC1 ZINC001255168009 947760874 /nfs/dbraw/zinc/76/08/74/947760874.db2.gz LYKXAHCSRPVJDF-AWEZNQCLSA-N 1 2 298.394 1.678 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CCc2nnc(Cn3cccc3)n2CC1 ZINC001255168009 947760875 /nfs/dbraw/zinc/76/08/75/947760875.db2.gz LYKXAHCSRPVJDF-AWEZNQCLSA-N 1 2 298.394 1.678 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC001255176718 947766360 /nfs/dbraw/zinc/76/63/60/947766360.db2.gz DPZGPRPYEYWHQV-NEPJUHHUSA-N 1 2 252.362 1.414 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC001255176718 947766364 /nfs/dbraw/zinc/76/63/64/947766364.db2.gz DPZGPRPYEYWHQV-NEPJUHHUSA-N 1 2 252.362 1.414 20 30 CDEDLO CC[C@@H](CC#N)N1CC([N@@H+]2CCOC(C)(C)C2)C1 ZINC001255174239 947766781 /nfs/dbraw/zinc/76/67/81/947766781.db2.gz USBOTFMPYJWPEP-LBPRGKRZSA-N 1 2 251.374 1.474 20 30 CDEDLO CC[C@@H](CC#N)N1CC([N@H+]2CCOC(C)(C)C2)C1 ZINC001255174239 947766787 /nfs/dbraw/zinc/76/67/87/947766787.db2.gz USBOTFMPYJWPEP-LBPRGKRZSA-N 1 2 251.374 1.474 20 30 CDEDLO N#C[C@@H]1CN(C2CCC([NH+]3CCOCC3)CC2)CCC1=O ZINC001256697595 948402365 /nfs/dbraw/zinc/40/23/65/948402365.db2.gz GCMVFSXKVFWLBZ-WLYUNCDWSA-N 1 2 291.395 1.044 20 30 CDEDLO N#CC1CN(C2CCC([NH+]3CCOCC3)CC2)CCC1=O ZINC001256697595 948402371 /nfs/dbraw/zinc/40/23/71/948402371.db2.gz GCMVFSXKVFWLBZ-WLYUNCDWSA-N 1 2 291.395 1.044 20 30 CDEDLO N#C[C@@H]1CN([C@@H]2CCC[N@@H+](C3CCCC3)C2)CCC1=O ZINC001256921355 948459066 /nfs/dbraw/zinc/45/90/66/948459066.db2.gz ZAXQBZUJINYAIP-UKRRQHHQSA-N 1 2 275.396 1.808 20 30 CDEDLO N#C[C@@H]1CN([C@@H]2CCC[N@H+](C3CCCC3)C2)CCC1=O ZINC001256921355 948459072 /nfs/dbraw/zinc/45/90/72/948459072.db2.gz ZAXQBZUJINYAIP-UKRRQHHQSA-N 1 2 275.396 1.808 20 30 CDEDLO CCc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](CO)C1 ZINC001248748403 949118618 /nfs/dbraw/zinc/11/86/18/949118618.db2.gz IGOIHJNUCLJLRM-OAHLLOKOSA-N 1 2 260.337 1.314 20 30 CDEDLO CCc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](CO)C1 ZINC001248748403 949118626 /nfs/dbraw/zinc/11/86/26/949118626.db2.gz IGOIHJNUCLJLRM-OAHLLOKOSA-N 1 2 260.337 1.314 20 30 CDEDLO C#CCN1CC[NH+](Cc2cn(C)nc2[C@H](C)CC)CC1 ZINC001249408907 949568599 /nfs/dbraw/zinc/56/85/99/949568599.db2.gz OKDMDZSCFBZCRG-CQSZACIVSA-N 1 2 274.412 1.684 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cn(C)nc2[C@H](C)CC)CC1 ZINC001249408907 949568610 /nfs/dbraw/zinc/56/86/10/949568610.db2.gz OKDMDZSCFBZCRG-CQSZACIVSA-N 1 2 274.412 1.684 20 30 CDEDLO C#Cc1cc(Nc2cnn(C(C)(C)C(=O)OCC)c2)cc[nH+]1 ZINC001249568636 949677054 /nfs/dbraw/zinc/67/70/54/949677054.db2.gz DESHCCWRJSAYKC-UHFFFAOYSA-N 1 2 298.346 1.723 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC001362768878 971604697 /nfs/dbraw/zinc/60/46/97/971604697.db2.gz RWBUCNCMQSCQPN-AWEZNQCLSA-N 1 2 280.331 1.936 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1-c1ccc(C#N)cc1 ZINC001249704235 949757090 /nfs/dbraw/zinc/75/70/90/949757090.db2.gz GHZKOUQDIGPHBA-UHFFFAOYSA-N 1 2 256.265 1.503 20 30 CDEDLO C=CCc1ccc(NCC[NH+]2CCN(C)CC2)nc1 ZINC001249954207 949908654 /nfs/dbraw/zinc/90/86/54/949908654.db2.gz VJFMGKRFNNQBHI-UHFFFAOYSA-N 1 2 260.385 1.469 20 30 CDEDLO C=C[C@@](C)(O)C[NH2+][C@@H](CCSC)C(=O)OC(C)(C)C ZINC001252575411 951466081 /nfs/dbraw/zinc/46/60/81/951466081.db2.gz ZUQXXPQADQXCNG-SMDDNHRTSA-N 1 2 289.441 1.976 20 30 CDEDLO C=C[C@](C)(O)C[NH2+][C@H](CC1CCC1)C(=O)OCC ZINC001252577850 951469413 /nfs/dbraw/zinc/46/94/13/951469413.db2.gz NDYIBGSYNVFAMY-OCCSQVGLSA-N 1 2 255.358 1.635 20 30 CDEDLO COc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001252889578 951698000 /nfs/dbraw/zinc/69/80/00/951698000.db2.gz ZRUWPZISKRVINN-KBPBESRZSA-N 1 2 290.363 1.670 20 30 CDEDLO COc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](C#N)C1 ZINC001252889578 951698006 /nfs/dbraw/zinc/69/80/06/951698006.db2.gz ZRUWPZISKRVINN-KBPBESRZSA-N 1 2 290.363 1.670 20 30 CDEDLO N#Cc1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1Cl ZINC001363027474 971825159 /nfs/dbraw/zinc/82/51/59/971825159.db2.gz IJRRGOANKFHGQN-UHFFFAOYSA-N 1 2 274.711 1.794 20 30 CDEDLO COC(=O)c1ccc(NCc2c[nH+]cn2C)c(C#N)n1 ZINC001363156625 971933034 /nfs/dbraw/zinc/93/30/34/971933034.db2.gz OPQHXYHPNSYSJV-UHFFFAOYSA-N 1 2 271.280 1.085 20 30 CDEDLO C=CC[C@H]1NC(=O)N(Cc2cc(C)[nH+]c(C)c2)C1=O ZINC001325491252 953927438 /nfs/dbraw/zinc/92/74/38/953927438.db2.gz FZRNRFFDQHNDJZ-GFCCVEGCSA-N 1 2 259.309 1.695 20 30 CDEDLO N#Cc1cccc([C@H](O)C[N@@H+]2CCC[C@@]23CCOC3=O)c1 ZINC001363225578 971995924 /nfs/dbraw/zinc/99/59/24/971995924.db2.gz SKGYJMOVPGPCKP-ZBFHGGJFSA-N 1 2 286.331 1.373 20 30 CDEDLO N#Cc1cccc([C@H](O)C[N@H+]2CCC[C@@]23CCOC3=O)c1 ZINC001363225578 971995931 /nfs/dbraw/zinc/99/59/31/971995931.db2.gz SKGYJMOVPGPCKP-ZBFHGGJFSA-N 1 2 286.331 1.373 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)COCC)C1CC1 ZINC001493340718 972021846 /nfs/dbraw/zinc/02/18/46/972021846.db2.gz ATQOLFLUJNRZCE-UHFFFAOYSA-N 1 2 260.765 1.356 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)COCC)C1CC1 ZINC001493340718 972021855 /nfs/dbraw/zinc/02/18/55/972021855.db2.gz ATQOLFLUJNRZCE-UHFFFAOYSA-N 1 2 260.765 1.356 20 30 CDEDLO C#CC[N@H+](CC1CC1)[C@@H](C)c1nc(N)nc(Cl)n1 ZINC001327312632 954822802 /nfs/dbraw/zinc/82/28/02/954822802.db2.gz LFGIHLKCPMVJGV-QMMMGPOBSA-N 1 2 265.748 1.513 20 30 CDEDLO C#CC[N@@H+](CC1CC1)[C@@H](C)c1nc(N)nc(Cl)n1 ZINC001327312632 954822807 /nfs/dbraw/zinc/82/28/07/954822807.db2.gz LFGIHLKCPMVJGV-QMMMGPOBSA-N 1 2 265.748 1.513 20 30 CDEDLO Cc1cc(C[NH2+]Cc2nc(C(N)=O)cs2)ccc1C#N ZINC001364649057 954952097 /nfs/dbraw/zinc/95/20/97/954952097.db2.gz OCFGZRDVTIRDCY-UHFFFAOYSA-N 1 2 286.360 1.712 20 30 CDEDLO C=CC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)OCC ZINC001328351742 955271791 /nfs/dbraw/zinc/27/17/91/955271791.db2.gz WPLWARKVFIHXCL-UTUOFQBUSA-N 1 2 291.351 1.148 20 30 CDEDLO N#CC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001328696205 955419036 /nfs/dbraw/zinc/41/90/36/955419036.db2.gz JCOFIEIOMJMFHP-LBPRGKRZSA-N 1 2 258.325 1.208 20 30 CDEDLO C=C(Cl)C[NH2+]C[C@H](C)NC(=O)c1ccc2[nH]nnc2c1 ZINC001422748481 956304991 /nfs/dbraw/zinc/30/49/91/956304991.db2.gz YQHUAPROZZKVMO-VIFPVBQESA-N 1 2 293.758 1.418 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCc2ccnn2C)C1 ZINC001365990541 956493512 /nfs/dbraw/zinc/49/35/12/956493512.db2.gz SSKYTAMUDSXJBW-GFCCVEGCSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCc2ccnn2C)C1 ZINC001365990541 956493520 /nfs/dbraw/zinc/49/35/20/956493520.db2.gz SSKYTAMUDSXJBW-GFCCVEGCSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCc1cncn1C ZINC001425054518 957456954 /nfs/dbraw/zinc/45/69/54/957456954.db2.gz WKZFNNSFBFFDHW-LBPRGKRZSA-N 1 2 298.818 1.542 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCc1cncn1C ZINC001425054518 957456957 /nfs/dbraw/zinc/45/69/57/957456957.db2.gz WKZFNNSFBFFDHW-LBPRGKRZSA-N 1 2 298.818 1.542 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1n[nH]c2c1CCC2 ZINC001367518205 958092808 /nfs/dbraw/zinc/09/28/08/958092808.db2.gz MZCXVEAZHYFSLF-UHFFFAOYSA-N 1 2 296.802 1.655 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1n[nH]c2c1CCC2 ZINC001367518205 958092821 /nfs/dbraw/zinc/09/28/21/958092821.db2.gz MZCXVEAZHYFSLF-UHFFFAOYSA-N 1 2 296.802 1.655 20 30 CDEDLO C=CC[C@H]1NC(=O)N(Cc2[nH+]cc(C)c(OC)c2C)C1=O ZINC001320770341 959380574 /nfs/dbraw/zinc/38/05/74/959380574.db2.gz BLXOBWQEDYAAQG-LLVKDONJSA-N 1 2 289.335 1.704 20 30 CDEDLO C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)OC ZINC001340626686 963038316 /nfs/dbraw/zinc/03/83/16/963038316.db2.gz BAHDTGUCPZHGPK-SNVBAGLBSA-N 1 2 251.334 1.228 20 30 CDEDLO C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N(C)OC ZINC001340626686 963038328 /nfs/dbraw/zinc/03/83/28/963038328.db2.gz BAHDTGUCPZHGPK-SNVBAGLBSA-N 1 2 251.334 1.228 20 30 CDEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCOCC1 ZINC001343553645 964038303 /nfs/dbraw/zinc/03/83/03/964038303.db2.gz JNJOVZWUZCVQQA-ZDUSSCGKSA-N 1 2 291.399 1.458 20 30 CDEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCOCC1 ZINC001343553645 964038315 /nfs/dbraw/zinc/03/83/15/964038315.db2.gz JNJOVZWUZCVQQA-ZDUSSCGKSA-N 1 2 291.399 1.458 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001347018691 965333229 /nfs/dbraw/zinc/33/32/29/965333229.db2.gz OZSGWVCWLQGHMT-WFASDCNBSA-N 1 2 277.368 1.450 20 30 CDEDLO C=C(C)C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)[O-] ZINC001350611792 966712325 /nfs/dbraw/zinc/71/23/25/966712325.db2.gz XIPVXZHMUHOPAQ-KBPBESRZSA-N 1 2 282.384 1.249 20 30 CDEDLO CON=CC(=O)NC[C@H]1C[C@@H](F)C[N@@H+]1Cc1cccs1 ZINC001548828694 967907461 /nfs/dbraw/zinc/90/74/61/967907461.db2.gz JKSIDWBYFPVKFZ-GHMZBOCLSA-N 1 2 299.371 1.409 20 30 CDEDLO CON=CC(=O)NC[C@H]1C[C@@H](F)C[N@H+]1Cc1cccs1 ZINC001548828694 967907466 /nfs/dbraw/zinc/90/74/66/967907466.db2.gz JKSIDWBYFPVKFZ-GHMZBOCLSA-N 1 2 299.371 1.409 20 30 CDEDLO N#Cc1ccc(NC(=O)NCc2ccc[nH+]c2N)cc1 ZINC001464922792 969832808 /nfs/dbraw/zinc/83/28/08/969832808.db2.gz LRNPBDVBSKYEQT-UHFFFAOYSA-N 1 2 267.292 1.857 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccn(C)c(=O)c1 ZINC001374503017 973983823 /nfs/dbraw/zinc/98/38/23/973983823.db2.gz AGGFUYUWGNRVHD-UHFFFAOYSA-N 1 2 297.786 1.142 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccn(C)c(=O)c1 ZINC001374503017 973983831 /nfs/dbraw/zinc/98/38/31/973983831.db2.gz AGGFUYUWGNRVHD-UHFFFAOYSA-N 1 2 297.786 1.142 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnsc2Cl)C1 ZINC001376355436 974639830 /nfs/dbraw/zinc/63/98/30/974639830.db2.gz BGFPLDZUBUDVGM-BWZBUEFSSA-N 1 2 299.787 1.088 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccnc(OC)c1 ZINC001379077607 975646015 /nfs/dbraw/zinc/64/60/15/975646015.db2.gz RIROJCIWUXDQCM-UHFFFAOYSA-N 1 2 297.786 1.847 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccnc(OC)c1 ZINC001379077607 975646024 /nfs/dbraw/zinc/64/60/24/975646024.db2.gz RIROJCIWUXDQCM-UHFFFAOYSA-N 1 2 297.786 1.847 20 30 CDEDLO CCC(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC001401887613 975977742 /nfs/dbraw/zinc/97/77/42/975977742.db2.gz ZADRXLGVWAQAOV-AWEZNQCLSA-N 1 2 287.363 1.667 20 30 CDEDLO CCC(=O)NC[C@@H]1CC[N@H+]1Cc1cc(C#N)ccc1OC ZINC001401887613 975977752 /nfs/dbraw/zinc/97/77/52/975977752.db2.gz ZADRXLGVWAQAOV-AWEZNQCLSA-N 1 2 287.363 1.667 20 30 CDEDLO C[C@H](C#N)C(=O)NC1(C)CC[NH+](Cc2cnns2)CC1 ZINC001407121648 976563660 /nfs/dbraw/zinc/56/36/60/976563660.db2.gz WLOUOCQVJBMTQG-SNVBAGLBSA-N 1 2 293.396 1.168 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCc1cn[nH]c1 ZINC001403186095 976797497 /nfs/dbraw/zinc/79/74/97/976797497.db2.gz WBGPNLDPOJXWSU-NSHDSACASA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCc1cn[nH]c1 ZINC001403186095 976797506 /nfs/dbraw/zinc/79/75/06/976797506.db2.gz WBGPNLDPOJXWSU-NSHDSACASA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CC[C@H]2CCCO2)C1 ZINC001391468563 976903075 /nfs/dbraw/zinc/90/30/75/976903075.db2.gz RFFMGHBOJBAGOQ-CYBMUJFWSA-N 1 2 286.803 1.746 20 30 CDEDLO CC[N@H+](CCNC(=O)[C@@H](C)C#N)[C@H](C)c1ncccn1 ZINC001403822675 977216732 /nfs/dbraw/zinc/21/67/32/977216732.db2.gz IWHUVRMLOCKCRT-NWDGAFQWSA-N 1 2 275.356 1.135 20 30 CDEDLO CC[N@@H+](CCNC(=O)[C@@H](C)C#N)[C@H](C)c1ncccn1 ZINC001403822675 977216744 /nfs/dbraw/zinc/21/67/44/977216744.db2.gz IWHUVRMLOCKCRT-NWDGAFQWSA-N 1 2 275.356 1.135 20 30 CDEDLO Cc1cnc([C@@H](C)[N@@H+](CCNC(=O)[C@@H](C)C#N)C2CC2)o1 ZINC001404208421 977368586 /nfs/dbraw/zinc/36/85/86/977368586.db2.gz BZEZHGVXVVFHKJ-CMPLNLGQSA-N 1 2 290.367 1.784 20 30 CDEDLO Cc1cnc([C@@H](C)[N@H+](CCNC(=O)[C@@H](C)C#N)C2CC2)o1 ZINC001404208421 977368592 /nfs/dbraw/zinc/36/85/92/977368592.db2.gz BZEZHGVXVVFHKJ-CMPLNLGQSA-N 1 2 290.367 1.784 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@H]1COC(=O)C1 ZINC001392270763 977378463 /nfs/dbraw/zinc/37/84/63/977378463.db2.gz MJIQTDJVODDVTP-LLVKDONJSA-N 1 2 288.775 1.082 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@H]1COC(=O)C1 ZINC001392270763 977378466 /nfs/dbraw/zinc/37/84/66/977378466.db2.gz MJIQTDJVODDVTP-LLVKDONJSA-N 1 2 288.775 1.082 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(OC)nc1 ZINC001392669498 977538485 /nfs/dbraw/zinc/53/84/85/977538485.db2.gz GOCYTTZCYBWNLO-NSHDSACASA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(OC)nc1 ZINC001392669498 977538491 /nfs/dbraw/zinc/53/84/91/977538491.db2.gz GOCYTTZCYBWNLO-NSHDSACASA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+]Cc1nncs1 ZINC001132303980 1163235930 /nfs/dbraw/zinc/23/59/30/1163235930.db2.gz CORMIMUQHCBCHZ-UHFFFAOYSA-N 1 2 268.386 1.346 20 30 CDEDLO C[NH+](C)Cc1ccc(C(N)=[NH+]OCC2(C(=O)[O-])CC2)cc1 ZINC001598249144 991027759 /nfs/dbraw/zinc/02/77/59/991027759.db2.gz VKVMFIWXMSKTAS-UHFFFAOYSA-N 1 2 291.351 1.250 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001132659984 1163428107 /nfs/dbraw/zinc/42/81/07/1163428107.db2.gz GYBGBILNQGPMFV-LLVKDONJSA-N 1 2 280.372 1.440 20 30 CDEDLO COCC[NH+]1CCN(C(=O)c2ccccc2CC#N)CC1 ZINC000601164812 342485001 /nfs/dbraw/zinc/48/50/01/342485001.db2.gz WZBKUJLLTPGZHS-UHFFFAOYSA-N 1 2 287.363 1.157 20 30 CDEDLO N#Cc1cc(O)cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000589207958 342500147 /nfs/dbraw/zinc/50/01/47/342500147.db2.gz GEBUJBFNYIKIJT-LBPRGKRZSA-N 1 2 282.303 1.205 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000589300247 342503074 /nfs/dbraw/zinc/50/30/74/342503074.db2.gz LDFBLYPANQDXFW-FRRDWIJNSA-N 1 2 265.353 1.748 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000589300247 342503075 /nfs/dbraw/zinc/50/30/75/342503075.db2.gz LDFBLYPANQDXFW-FRRDWIJNSA-N 1 2 265.353 1.748 20 30 CDEDLO Cc1noc(C)c1[C@@H](C)CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000589827821 342514812 /nfs/dbraw/zinc/51/48/12/342514812.db2.gz NWBXNDRDJJXDLY-BONVTDFDSA-N 1 2 292.383 1.745 20 30 CDEDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)CCCC#N ZINC000601427640 342561865 /nfs/dbraw/zinc/56/18/65/342561865.db2.gz FHCARHHLPZLXNC-SNVBAGLBSA-N 1 2 270.358 1.187 20 30 CDEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3nc[nH]c3C2)cc1 ZINC000590601181 342577584 /nfs/dbraw/zinc/57/75/84/342577584.db2.gz RCFZRTWJGRSHQI-ZDUSSCGKSA-N 1 2 298.346 1.079 20 30 CDEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3nc[nH]c3C2)cc1 ZINC000590601181 342577585 /nfs/dbraw/zinc/57/75/85/342577585.db2.gz RCFZRTWJGRSHQI-ZDUSSCGKSA-N 1 2 298.346 1.079 20 30 CDEDLO Cc1onc(C2CC2)c1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000580332815 342580016 /nfs/dbraw/zinc/58/00/16/342580016.db2.gz FEXBMKTZUFAOSU-CQSZACIVSA-N 1 2 276.340 1.434 20 30 CDEDLO CCN(CC)C(=O)C[NH+]1CCN([C@H](C)CCC#N)CC1 ZINC000351631573 361822793 /nfs/dbraw/zinc/82/27/93/361822793.db2.gz GJPMTAUTOFZLPF-CQSZACIVSA-N 1 2 280.416 1.165 20 30 CDEDLO C[C@@H]1C[C@@H](NC(=O)c2cc(O)cc(C#N)c2)c2[nH+]ccn21 ZINC000590875702 342602454 /nfs/dbraw/zinc/60/24/54/342602454.db2.gz FAFUDAWVOWSIAH-NOZJJQNGSA-N 1 2 282.303 1.896 20 30 CDEDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC(=O)NCC#N ZINC000611555350 346822889 /nfs/dbraw/zinc/82/28/89/346822889.db2.gz YXNWLRXMVMCETL-IUCAKERBSA-N 1 2 263.263 1.289 20 30 CDEDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1CC(=O)NCC#N ZINC000611555350 346822892 /nfs/dbraw/zinc/82/28/92/346822892.db2.gz YXNWLRXMVMCETL-IUCAKERBSA-N 1 2 263.263 1.289 20 30 CDEDLO CC1(C)CC[N@H+](CC2(CC#N)CC2)CC[S@@]1=O ZINC000321899062 342144271 /nfs/dbraw/zinc/14/42/71/342144271.db2.gz PWQMMSLFSNIMGU-KRWDZBQOSA-N 1 2 254.399 1.913 20 30 CDEDLO CC1(C)CC[N@@H+](CC2(CC#N)CC2)CC[S@@]1=O ZINC000321899062 342144272 /nfs/dbraw/zinc/14/42/72/342144272.db2.gz PWQMMSLFSNIMGU-KRWDZBQOSA-N 1 2 254.399 1.913 20 30 CDEDLO Cc1cc(N2CC[C@@H](C(=O)N(C)C)C2)c(C#N)c[nH+]1 ZINC000591825688 342647928 /nfs/dbraw/zinc/64/79/28/342647928.db2.gz ISUDGIVEXHZRDR-LLVKDONJSA-N 1 2 258.325 1.176 20 30 CDEDLO COCC#CC[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC000591849936 342649692 /nfs/dbraw/zinc/64/96/92/342649692.db2.gz WWDOPADFVFBQCU-VIFPVBQESA-N 1 2 268.338 1.230 20 30 CDEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)[C@@H]1C ZINC000592146661 342673844 /nfs/dbraw/zinc/67/38/44/342673844.db2.gz DXCAZOYAEZOUHP-HGTKMLMNSA-N 1 2 293.411 1.278 20 30 CDEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)[C@@H]1C ZINC000592146661 342673846 /nfs/dbraw/zinc/67/38/46/342673846.db2.gz DXCAZOYAEZOUHP-HGTKMLMNSA-N 1 2 293.411 1.278 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)N2CCCc3ccccc32)C1 ZINC000592146666 342673852 /nfs/dbraw/zinc/67/38/52/342673852.db2.gz DYPGYTYGGLGTBK-QGZVFWFLSA-N 1 2 299.374 1.316 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)N2CCCc3ccccc32)C1 ZINC000592146666 342673854 /nfs/dbraw/zinc/67/38/54/342673854.db2.gz DYPGYTYGGLGTBK-QGZVFWFLSA-N 1 2 299.374 1.316 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000592522745 342702128 /nfs/dbraw/zinc/70/21/28/342702128.db2.gz QVSRHTWOBCEHQO-TZMCWYRMSA-N 1 2 293.392 1.845 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000592522745 342702129 /nfs/dbraw/zinc/70/21/29/342702129.db2.gz QVSRHTWOBCEHQO-TZMCWYRMSA-N 1 2 293.392 1.845 20 30 CDEDLO CC(=O)N1CC[N@H+](Cc2cccc(C#N)n2)[C@@H](C)C1 ZINC000602473273 342166272 /nfs/dbraw/zinc/16/62/72/342166272.db2.gz LKHZNADDXAQGMO-NSHDSACASA-N 1 2 258.325 1.006 20 30 CDEDLO CC(=O)N1CC[N@@H+](Cc2cccc(C#N)n2)[C@@H](C)C1 ZINC000602473273 342166273 /nfs/dbraw/zinc/16/62/73/342166273.db2.gz LKHZNADDXAQGMO-NSHDSACASA-N 1 2 258.325 1.006 20 30 CDEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCn1cc[nH+]c1 ZINC000593948788 342859848 /nfs/dbraw/zinc/85/98/48/342859848.db2.gz QAXDQACZWIWROY-ZDUSSCGKSA-N 1 2 282.347 1.750 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCCCC2)cc1 ZINC000147565520 539076197 /nfs/dbraw/zinc/07/61/97/539076197.db2.gz PVNFWUAWVVYDGQ-UHFFFAOYSA-N 1 2 278.377 1.818 20 30 CDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000594286888 342887577 /nfs/dbraw/zinc/88/75/77/342887577.db2.gz DDMKTDUDUHIGHE-GFCCVEGCSA-N 1 2 282.347 1.819 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000352419529 539063603 /nfs/dbraw/zinc/06/36/03/539063603.db2.gz RKJDXTPGWMDYHM-INIZCTEOSA-N 1 2 290.411 1.667 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCc1ccc(C#N)cc1 ZINC000042533346 342267139 /nfs/dbraw/zinc/26/71/39/342267139.db2.gz VPNJILIOAKVCET-CYBMUJFWSA-N 1 2 282.347 1.892 20 30 CDEDLO CCC(C#N)(CC)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000599339642 344013451 /nfs/dbraw/zinc/01/34/51/344013451.db2.gz HRGJCVJJJIPMOD-LBPRGKRZSA-N 1 2 267.373 1.153 20 30 CDEDLO CCC(C#N)(CC)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000599339642 344013454 /nfs/dbraw/zinc/01/34/54/344013454.db2.gz HRGJCVJJJIPMOD-LBPRGKRZSA-N 1 2 267.373 1.153 20 30 CDEDLO CCc1nnc(SC[C@@H](O)C[N@H+](C)CCC#N)s1 ZINC000594732026 342949322 /nfs/dbraw/zinc/94/93/22/342949322.db2.gz JMUFCXNGXCJQQQ-VIFPVBQESA-N 1 2 286.426 1.399 20 30 CDEDLO CCc1nnc(SC[C@@H](O)C[N@@H+](C)CCC#N)s1 ZINC000594732026 342949323 /nfs/dbraw/zinc/94/93/23/342949323.db2.gz JMUFCXNGXCJQQQ-VIFPVBQESA-N 1 2 286.426 1.399 20 30 CDEDLO CCN(CCC#N)C(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000595007673 342989810 /nfs/dbraw/zinc/98/98/10/342989810.db2.gz QIGWXTYZQPMVHJ-UHFFFAOYSA-N 1 2 299.334 1.343 20 30 CDEDLO CC[N@H+](Cc1ccc(C#N)s1)[C@@H](C)CS(C)(=O)=O ZINC000126235484 187225924 /nfs/dbraw/zinc/22/59/24/187225924.db2.gz VERWFUHGRWWWAX-JTQLQIEISA-N 1 2 286.422 1.875 20 30 CDEDLO CC[N@@H+](Cc1ccc(C#N)s1)[C@@H](C)CS(C)(=O)=O ZINC000126235484 187225925 /nfs/dbraw/zinc/22/59/25/187225925.db2.gz VERWFUHGRWWWAX-JTQLQIEISA-N 1 2 286.422 1.875 20 30 CDEDLO C[N@H+](CC(C)(C)C#N)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000595500042 343077969 /nfs/dbraw/zinc/07/79/69/343077969.db2.gz HSLKYSZTQAPJKP-JHJVBQTASA-N 1 2 263.385 1.915 20 30 CDEDLO C[N@@H+](CC(C)(C)C#N)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000595500042 343077971 /nfs/dbraw/zinc/07/79/71/343077971.db2.gz HSLKYSZTQAPJKP-JHJVBQTASA-N 1 2 263.385 1.915 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000595609147 343108181 /nfs/dbraw/zinc/10/81/81/343108181.db2.gz GWIIZAGFYHAWPX-GFCCVEGCSA-N 1 2 255.325 1.855 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000595609147 343108182 /nfs/dbraw/zinc/10/81/82/343108182.db2.gz GWIIZAGFYHAWPX-GFCCVEGCSA-N 1 2 255.325 1.855 20 30 CDEDLO COCCc1noc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595615012 343109797 /nfs/dbraw/zinc/10/97/97/343109797.db2.gz NVSUIVDSWMNFHE-NSHDSACASA-N 1 2 264.329 1.384 20 30 CDEDLO COCCc1noc(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595615012 343109800 /nfs/dbraw/zinc/10/98/00/343109800.db2.gz NVSUIVDSWMNFHE-NSHDSACASA-N 1 2 264.329 1.384 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)Cc1c[nH+]c[nH]1 ZINC000595597422 343114754 /nfs/dbraw/zinc/11/47/54/343114754.db2.gz PWELSKMDBDJZFR-BXUZGUMPSA-N 1 2 277.372 1.284 20 30 CDEDLO C=CC[N@@H+](Cc1nc(C(=O)OCC)no1)[C@@H](C)COC ZINC000595639835 343123665 /nfs/dbraw/zinc/12/36/65/343123665.db2.gz XIAVBWLJHGQNIH-JTQLQIEISA-N 1 2 283.328 1.269 20 30 CDEDLO C=CC[N@H+](Cc1nc(C(=O)OCC)no1)[C@@H](C)COC ZINC000595639835 343123667 /nfs/dbraw/zinc/12/36/67/343123667.db2.gz XIAVBWLJHGQNIH-JTQLQIEISA-N 1 2 283.328 1.269 20 30 CDEDLO Cc1nnc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)o1 ZINC000595703658 343127186 /nfs/dbraw/zinc/12/71/86/343127186.db2.gz GCGMEFKZYCLPCV-UHFFFAOYSA-N 1 2 299.334 1.710 20 30 CDEDLO Cc1nnc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)o1 ZINC000595703658 343127188 /nfs/dbraw/zinc/12/71/88/343127188.db2.gz GCGMEFKZYCLPCV-UHFFFAOYSA-N 1 2 299.334 1.710 20 30 CDEDLO C=C(Cl)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000081420827 342368827 /nfs/dbraw/zinc/36/88/27/342368827.db2.gz UVUANODXTWVXHG-ZDUSSCGKSA-N 1 2 279.771 1.915 20 30 CDEDLO C=C(Cl)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000081420827 342368828 /nfs/dbraw/zinc/36/88/28/342368828.db2.gz UVUANODXTWVXHG-ZDUSSCGKSA-N 1 2 279.771 1.915 20 30 CDEDLO CC1(C)CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000085821756 342383980 /nfs/dbraw/zinc/38/39/80/342383980.db2.gz FFNJPHHGSAFLKE-UHFFFAOYSA-N 1 2 278.377 1.816 20 30 CDEDLO CC1(C)CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000085821756 342383981 /nfs/dbraw/zinc/38/39/81/342383981.db2.gz FFNJPHHGSAFLKE-UHFFFAOYSA-N 1 2 278.377 1.816 20 30 CDEDLO Cc1cc(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c(C#N)cn1 ZINC000596434033 343320377 /nfs/dbraw/zinc/32/03/77/343320377.db2.gz WSEOLQAYPVWWLQ-CHWSQXEVSA-N 1 2 274.368 1.205 20 30 CDEDLO Cc1cc(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c(C#N)cn1 ZINC000596434033 343320379 /nfs/dbraw/zinc/32/03/79/343320379.db2.gz WSEOLQAYPVWWLQ-CHWSQXEVSA-N 1 2 274.368 1.205 20 30 CDEDLO N#CC1(C(=O)Nc2ccn3cc[nH+]c3c2)CCOCC1 ZINC000619566835 349805234 /nfs/dbraw/zinc/80/52/34/349805234.db2.gz WNLJIDIDLAXTKL-UHFFFAOYSA-N 1 2 270.292 1.593 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000626151361 342442569 /nfs/dbraw/zinc/44/25/69/342442569.db2.gz FBYICANUCTXQFH-NSHDSACASA-N 1 2 278.327 1.711 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCOc2cc(F)ccc2C1 ZINC000626151361 342442570 /nfs/dbraw/zinc/44/25/70/342442570.db2.gz FBYICANUCTXQFH-NSHDSACASA-N 1 2 278.327 1.711 20 30 CDEDLO Cc1cc(NCc2nnc(C3CC3)[nH]2)c(C#N)c[nH+]1 ZINC000571278653 362229999 /nfs/dbraw/zinc/22/99/99/362229999.db2.gz JVMHQSOGDFCYOO-UHFFFAOYSA-N 1 2 254.297 1.291 20 30 CDEDLO N#CC[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000597900862 343665767 /nfs/dbraw/zinc/66/57/67/343665767.db2.gz QZBFTZHRAGPBCP-OLZOCXBDSA-N 1 2 272.352 1.598 20 30 CDEDLO C[C@H](C#N)N(C(=O)Cc1cn2ccccc2[nH+]1)C1CC1 ZINC000598126491 343717571 /nfs/dbraw/zinc/71/75/71/343717571.db2.gz WFBDBXUZBDFJFV-LLVKDONJSA-N 1 2 268.320 1.780 20 30 CDEDLO C[C@@H](C#N)N(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000598135574 343724583 /nfs/dbraw/zinc/72/45/83/343724583.db2.gz YKHDUDAJVVZOKF-QWRGUYRKSA-N 1 2 258.325 1.349 20 30 CDEDLO C=C[C@H]([NH2+][C@H]1C[C@@H](OC)C1(CC)CC)C(=O)OC ZINC000619703315 349860117 /nfs/dbraw/zinc/86/01/17/349860117.db2.gz JEDMQAWGBKCKPR-SDDRHHMPSA-N 1 2 255.358 1.897 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000185138928 362306395 /nfs/dbraw/zinc/30/63/95/362306395.db2.gz CEOIHHHXSKPGSM-VHSXEESVSA-N 1 2 280.372 1.708 20 30 CDEDLO C=C(CC)C[N@@H+]1C[C@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000599590518 344087688 /nfs/dbraw/zinc/08/76/88/344087688.db2.gz NVGNUBDPAZQEGO-VXGBXAGGSA-N 1 2 269.341 1.379 20 30 CDEDLO C=C(CC)C[N@H+]1C[C@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000599590518 344087690 /nfs/dbraw/zinc/08/76/90/344087690.db2.gz NVGNUBDPAZQEGO-VXGBXAGGSA-N 1 2 269.341 1.379 20 30 CDEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Nc1cccc(C#N)c1 ZINC000599706018 344128778 /nfs/dbraw/zinc/12/87/78/344128778.db2.gz NVGLQENLVJRWMY-ZDUSSCGKSA-N 1 2 274.324 1.010 20 30 CDEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)Nc1cccc(C#N)c1 ZINC000599706018 344128779 /nfs/dbraw/zinc/12/87/79/344128779.db2.gz NVGLQENLVJRWMY-ZDUSSCGKSA-N 1 2 274.324 1.010 20 30 CDEDLO C=C(C)C[C@@H](N[C@@H](c1[nH+]ccn1C)C1CC1)C(=O)OC ZINC000602738546 344556868 /nfs/dbraw/zinc/55/68/68/344556868.db2.gz MLWRFQXNUWZLCC-CHWSQXEVSA-N 1 2 277.368 1.969 20 30 CDEDLO C=CC[N@H+](CC1(CC#N)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000602792683 344585197 /nfs/dbraw/zinc/58/51/97/344585197.db2.gz QXKXQPOCIMOPDV-LBPRGKRZSA-N 1 2 268.382 1.355 20 30 CDEDLO C=CC[N@@H+](CC1(CC#N)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000602792683 344585198 /nfs/dbraw/zinc/58/51/98/344585198.db2.gz QXKXQPOCIMOPDV-LBPRGKRZSA-N 1 2 268.382 1.355 20 30 CDEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCc2cnccn2)CC1 ZINC000602794608 344585878 /nfs/dbraw/zinc/58/58/78/344585878.db2.gz JJYNGLBKFGHANX-OAHLLOKOSA-N 1 2 273.384 1.185 20 30 CDEDLO Cc1[nH]c(CN2CCN([C@@H](C#N)C(C)C)CC2)[nH+]c1C ZINC000602796008 344586660 /nfs/dbraw/zinc/58/66/60/344586660.db2.gz QDPVTIXVSBLLSZ-AWEZNQCLSA-N 1 2 275.400 1.692 20 30 CDEDLO COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@@H](C)CC#N ZINC000602860317 344616121 /nfs/dbraw/zinc/61/61/21/344616121.db2.gz AYTHSUPETHUOBP-RYUDHWBXSA-N 1 2 275.352 1.764 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000602860921 344616893 /nfs/dbraw/zinc/61/68/93/344616893.db2.gz DWNNHEUQVOKLNM-WZRBSPASSA-N 1 2 250.346 1.321 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000602861666 344617544 /nfs/dbraw/zinc/61/75/44/344617544.db2.gz HATKLNUPSGZXQK-YVWFZZAJSA-N 1 2 275.396 1.819 20 30 CDEDLO CCOc1ccccc1NC(=O)C[NH2+][C@@H](C)CC#N ZINC000602862807 344617858 /nfs/dbraw/zinc/61/78/58/344617858.db2.gz MAQVOPXQDBFRQJ-NSHDSACASA-N 1 2 261.325 1.916 20 30 CDEDLO Cc1nn(C)c(N2CC[NH+](CC3(CC#N)CC3)CC2)c1C#N ZINC000602816039 344606519 /nfs/dbraw/zinc/60/65/19/344606519.db2.gz NLESQLVFNIQBCC-UHFFFAOYSA-N 1 2 298.394 1.416 20 30 CDEDLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612167734 347066108 /nfs/dbraw/zinc/06/61/08/347066108.db2.gz WBXNPHWATLDFFR-SGMGOOAPSA-N 1 2 251.374 1.915 20 30 CDEDLO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612167734 347066110 /nfs/dbraw/zinc/06/61/10/347066110.db2.gz WBXNPHWATLDFFR-SGMGOOAPSA-N 1 2 251.374 1.915 20 30 CDEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000609485825 344915296 /nfs/dbraw/zinc/91/52/96/344915296.db2.gz YHWDYKSTKPNQJS-OAHLLOKOSA-N 1 2 292.427 1.165 20 30 CDEDLO N#C[C@@H]1N(CC[NH+]2CCOCC2)CCC[C@@]12CCCCO2 ZINC000447908129 362553283 /nfs/dbraw/zinc/55/32/83/362553283.db2.gz UNBBSVDCEBXQQV-HOTGVXAUSA-N 1 2 293.411 1.246 20 30 CDEDLO CC1CC(C#N)(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000382677662 345243040 /nfs/dbraw/zinc/24/30/40/345243040.db2.gz ZGFCRNMXAOYOCV-BBBYJDLNSA-N 1 2 291.395 1.249 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+](C)CC(=O)NC1CC1 ZINC000120575385 362583824 /nfs/dbraw/zinc/58/38/24/362583824.db2.gz LFXCCOYHJBPNGV-UHFFFAOYSA-N 1 2 273.336 1.277 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+](C)CC(=O)NC1CC1 ZINC000120575385 362583828 /nfs/dbraw/zinc/58/38/28/362583828.db2.gz LFXCCOYHJBPNGV-UHFFFAOYSA-N 1 2 273.336 1.277 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617729806 345938921 /nfs/dbraw/zinc/93/89/21/345938921.db2.gz HLRWXHGCWMPKTO-KGLIPLIRSA-N 1 2 280.412 1.980 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617729806 345938923 /nfs/dbraw/zinc/93/89/23/345938923.db2.gz HLRWXHGCWMPKTO-KGLIPLIRSA-N 1 2 280.412 1.980 20 30 CDEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC000610481192 346291036 /nfs/dbraw/zinc/29/10/36/346291036.db2.gz OQRVEBROPNYLBQ-GJZGRUSLSA-N 1 2 294.443 1.407 20 30 CDEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccnn1CCC ZINC000639450461 362721236 /nfs/dbraw/zinc/72/12/36/362721236.db2.gz NUOYRTAWEVBGCH-UHFFFAOYSA-N 1 2 262.357 1.906 20 30 CDEDLO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000052669451 346472237 /nfs/dbraw/zinc/47/22/37/346472237.db2.gz NYCLEZJDRUKIIB-AWEZNQCLSA-N 1 2 293.392 1.072 20 30 CDEDLO CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000052669451 346472241 /nfs/dbraw/zinc/47/22/41/346472241.db2.gz NYCLEZJDRUKIIB-AWEZNQCLSA-N 1 2 293.392 1.072 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+](C)CC(=O)N1CCCC1 ZINC000611235062 346703513 /nfs/dbraw/zinc/70/35/13/346703513.db2.gz CWEIWIYFOGYLNN-UHFFFAOYSA-N 1 2 287.363 1.621 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+](C)CC(=O)N1CCCC1 ZINC000611235062 346703515 /nfs/dbraw/zinc/70/35/15/346703515.db2.gz CWEIWIYFOGYLNN-UHFFFAOYSA-N 1 2 287.363 1.621 20 30 CDEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000611260584 346722438 /nfs/dbraw/zinc/72/24/38/346722438.db2.gz IYSGAOZAXUGUOF-UHFFFAOYSA-N 1 2 285.326 1.743 20 30 CDEDLO COCC#CC[N@@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000611194858 346690406 /nfs/dbraw/zinc/69/04/06/346690406.db2.gz YUKQFTGZONNEPE-GFCCVEGCSA-N 1 2 253.342 1.442 20 30 CDEDLO COCC#CC[N@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000611194858 346690410 /nfs/dbraw/zinc/69/04/10/346690410.db2.gz YUKQFTGZONNEPE-GFCCVEGCSA-N 1 2 253.342 1.442 20 30 CDEDLO C=C[C@@](C)(O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000612667763 347245850 /nfs/dbraw/zinc/24/58/50/347245850.db2.gz CWCTYTUIJYYHTC-OAHLLOKOSA-N 1 2 291.351 1.102 20 30 CDEDLO CN(Cc1ccco1)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081061378 260329841 /nfs/dbraw/zinc/32/98/41/260329841.db2.gz LMBQHGNVECAKJL-UHFFFAOYSA-N 1 2 275.352 1.864 20 30 CDEDLO CN(Cc1ccco1)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081061378 260329843 /nfs/dbraw/zinc/32/98/43/260329843.db2.gz LMBQHGNVECAKJL-UHFFFAOYSA-N 1 2 275.352 1.864 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000619720338 348193296 /nfs/dbraw/zinc/19/32/96/348193296.db2.gz CQSPWVRWULBCLE-STQMWFEESA-N 1 2 253.342 1.463 20 30 CDEDLO C=CC(C)(C)CNc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000450724814 362872946 /nfs/dbraw/zinc/87/29/46/362872946.db2.gz AZZLJRVVVYCPFP-UHFFFAOYSA-N 1 2 289.383 1.379 20 30 CDEDLO C=CC(C)(C)CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000450724814 362872950 /nfs/dbraw/zinc/87/29/50/362872950.db2.gz AZZLJRVVVYCPFP-UHFFFAOYSA-N 1 2 289.383 1.379 20 30 CDEDLO N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CCc3[nH+]ccn3C1)CC2 ZINC000615772479 348715777 /nfs/dbraw/zinc/71/57/77/348715777.db2.gz QKWJHUZIAMYBBV-CQSZACIVSA-N 1 2 292.342 1.906 20 30 CDEDLO CCOc1ccc(OC[C@@H](O)C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000064797365 348946945 /nfs/dbraw/zinc/94/69/45/348946945.db2.gz KKHSGRKGFLJPPE-KGLIPLIRSA-N 1 2 292.379 1.916 20 30 CDEDLO CCOc1ccc(OC[C@@H](O)C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000064797365 348946950 /nfs/dbraw/zinc/94/69/50/348946950.db2.gz KKHSGRKGFLJPPE-KGLIPLIRSA-N 1 2 292.379 1.916 20 30 CDEDLO COCCOc1ncccc1C[NH2+]Cc1cccc(C#N)n1 ZINC000602515101 350117201 /nfs/dbraw/zinc/11/72/01/350117201.db2.gz UEIHBCZCISIPQF-UHFFFAOYSA-N 1 2 298.346 1.663 20 30 CDEDLO N#Cc1cccc(C[NH2+][C@H]2CCCc3cn[nH]c32)n1 ZINC000602569943 350126482 /nfs/dbraw/zinc/12/64/82/350126482.db2.gz DFMFXDZAUXKJPY-ZDUSSCGKSA-N 1 2 253.309 1.844 20 30 CDEDLO N#Cc1cccc(C[NH2+][C@H]2CCCc3c[nH]nc32)n1 ZINC000602569943 350126483 /nfs/dbraw/zinc/12/64/83/350126483.db2.gz DFMFXDZAUXKJPY-ZDUSSCGKSA-N 1 2 253.309 1.844 20 30 CDEDLO CC1(C)C[N@H+](Cc2cccc(C#N)n2)C[C@@]2(CCOC2)O1 ZINC000602643613 350135892 /nfs/dbraw/zinc/13/58/92/350135892.db2.gz GKUYDKQKSMFYGU-MRXNPFEDSA-N 1 2 287.363 1.723 20 30 CDEDLO CC1(C)C[N@@H+](Cc2cccc(C#N)n2)C[C@@]2(CCOC2)O1 ZINC000602643613 350135893 /nfs/dbraw/zinc/13/58/93/350135893.db2.gz GKUYDKQKSMFYGU-MRXNPFEDSA-N 1 2 287.363 1.723 20 30 CDEDLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1cccc(C#N)n1 ZINC000602647144 350136098 /nfs/dbraw/zinc/13/60/98/350136098.db2.gz HNOYMWAZHNDGPO-NSHDSACASA-N 1 2 261.325 1.727 20 30 CDEDLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1cccc(C#N)n1 ZINC000602647144 350136100 /nfs/dbraw/zinc/13/61/00/350136100.db2.gz HNOYMWAZHNDGPO-NSHDSACASA-N 1 2 261.325 1.727 20 30 CDEDLO C=CC[N@@H+](Cc1cnnn1C)Cc1cccc(C#N)c1 ZINC000092504259 180398720 /nfs/dbraw/zinc/39/87/20/180398720.db2.gz UNAWMKWWJKCESL-UHFFFAOYSA-N 1 2 267.336 1.875 20 30 CDEDLO C=CC[N@H+](Cc1cnnn1C)Cc1cccc(C#N)c1 ZINC000092504259 180398722 /nfs/dbraw/zinc/39/87/22/180398722.db2.gz UNAWMKWWJKCESL-UHFFFAOYSA-N 1 2 267.336 1.875 20 30 CDEDLO COCC[N@H+](CCC#N)Cc1cn(C)nc1-c1cccnc1 ZINC000093100007 351316583 /nfs/dbraw/zinc/31/65/83/351316583.db2.gz VKCVDVQLJMMDKG-UHFFFAOYSA-N 1 2 299.378 1.844 20 30 CDEDLO COCC[N@@H+](CCC#N)Cc1cn(C)nc1-c1cccnc1 ZINC000093100007 351316586 /nfs/dbraw/zinc/31/65/86/351316586.db2.gz VKCVDVQLJMMDKG-UHFFFAOYSA-N 1 2 299.378 1.844 20 30 CDEDLO Cc1ccn2cc(CNC(=O)C3(C#N)CCOCC3)[nH+]c2c1 ZINC000264524573 363086121 /nfs/dbraw/zinc/08/61/21/363086121.db2.gz HSJRHKSQAPINMW-UHFFFAOYSA-N 1 2 298.346 1.579 20 30 CDEDLO CS(=O)(=O)CC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000292175528 198191814 /nfs/dbraw/zinc/19/18/14/198191814.db2.gz QAOFTCZQJWMWFB-UHFFFAOYSA-N 1 2 292.404 1.815 20 30 CDEDLO C=CCN(C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000153669972 188096326 /nfs/dbraw/zinc/09/63/26/188096326.db2.gz IQIZDIBQDLCZPJ-UHFFFAOYSA-N 1 2 258.325 1.704 20 30 CDEDLO CCC[N@H+](CC(=O)OC)Cc1ccc(OCC#N)cc1 ZINC000265890593 363431726 /nfs/dbraw/zinc/43/17/26/363431726.db2.gz FEMKLKDUIMQRRV-UHFFFAOYSA-N 1 2 276.336 1.974 20 30 CDEDLO CCC[N@@H+](CC(=O)OC)Cc1ccc(OCC#N)cc1 ZINC000265890593 363431729 /nfs/dbraw/zinc/43/17/29/363431729.db2.gz FEMKLKDUIMQRRV-UHFFFAOYSA-N 1 2 276.336 1.974 20 30 CDEDLO COC(=O)[C@H]([NH2+]CCOc1ccc(C#N)cc1)C1CC1 ZINC000272732535 191889358 /nfs/dbraw/zinc/88/93/58/191889358.db2.gz ATRGIMUFODMLKN-CQSZACIVSA-N 1 2 274.320 1.478 20 30 CDEDLO CN(C)c1cc(NS(=O)(=O)c2ccc(C#N)o2)cc[nH+]1 ZINC000342468099 355924045 /nfs/dbraw/zinc/92/40/45/355924045.db2.gz XUZRYUAHZGAOIS-UHFFFAOYSA-N 1 2 292.320 1.413 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2CCO)c(C#N)c1C ZINC000336846431 356385432 /nfs/dbraw/zinc/38/54/32/356385432.db2.gz OTQYYVGVKMJYFA-GFCCVEGCSA-N 1 2 291.351 1.553 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2CCO)c(C#N)c1C ZINC000336846431 356385436 /nfs/dbraw/zinc/38/54/36/356385436.db2.gz OTQYYVGVKMJYFA-GFCCVEGCSA-N 1 2 291.351 1.553 20 30 CDEDLO N#CCC[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000015042358 356405400 /nfs/dbraw/zinc/40/54/00/356405400.db2.gz RTOHBKJIBTWXHV-UHFFFAOYSA-N 1 2 273.336 1.956 20 30 CDEDLO Cc1cc(C#N)nc(NCc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000342411097 363548212 /nfs/dbraw/zinc/54/82/12/363548212.db2.gz GZXMYZIHTQCTET-UHFFFAOYSA-N 1 2 290.330 1.876 20 30 CDEDLO Cc1nnccc1[NH+]=C([O-])N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329497602 538576265 /nfs/dbraw/zinc/57/62/65/538576265.db2.gz GLSRZGMIRRVNCT-SECBINFHSA-N 1 2 272.312 1.392 20 30 CDEDLO Cc1nnccc1[NH+]=C([O-])N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329497602 538576276 /nfs/dbraw/zinc/57/62/76/538576276.db2.gz GLSRZGMIRRVNCT-SECBINFHSA-N 1 2 272.312 1.392 20 30 CDEDLO C[C@@H](c1nccc(N)n1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000578589760 356751002 /nfs/dbraw/zinc/75/10/02/356751002.db2.gz VXQPDECUGAJIBM-NSHDSACASA-N 1 2 267.336 1.954 20 30 CDEDLO C[C@@H](c1nccc(N)n1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000578589760 356751004 /nfs/dbraw/zinc/75/10/04/356751004.db2.gz VXQPDECUGAJIBM-NSHDSACASA-N 1 2 267.336 1.954 20 30 CDEDLO Cc1ccc(C#N)cc1S(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000578598172 356753667 /nfs/dbraw/zinc/75/36/67/356753667.db2.gz MCVFKAYYXWSGGC-UHFFFAOYSA-N 1 2 262.294 1.391 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000298857166 356935702 /nfs/dbraw/zinc/93/57/02/356935702.db2.gz FSZBWBKWMJSBDU-ZJUUUORDSA-N 1 2 266.291 1.753 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000298857164 356936793 /nfs/dbraw/zinc/93/67/93/356936793.db2.gz FSZBWBKWMJSBDU-VHSXEESVSA-N 1 2 266.291 1.753 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@H+](Cc1cccnc1)C1CC1)C1CC1 ZINC000180274924 357257965 /nfs/dbraw/zinc/25/79/65/357257965.db2.gz LQYDODDDOLEBHY-KRWDZBQOSA-N 1 2 298.390 1.854 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1cccnc1)C1CC1)C1CC1 ZINC000180274924 357257972 /nfs/dbraw/zinc/25/79/72/357257972.db2.gz LQYDODDDOLEBHY-KRWDZBQOSA-N 1 2 298.390 1.854 20 30 CDEDLO Cc1ncsc1C[N@@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000066564951 357571839 /nfs/dbraw/zinc/57/18/39/357571839.db2.gz LVGSSVLZICTTAE-LLVKDONJSA-N 1 2 280.397 1.644 20 30 CDEDLO Cc1ncsc1C[N@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000066564951 357571844 /nfs/dbraw/zinc/57/18/44/357571844.db2.gz LVGSSVLZICTTAE-LLVKDONJSA-N 1 2 280.397 1.644 20 30 CDEDLO Cc1nsc(N2CCN(Cc3[nH]cc[nH+]3)CC2)c1C#N ZINC000286646809 357650471 /nfs/dbraw/zinc/65/04/71/357650471.db2.gz DMIDFCGWANNZLD-UHFFFAOYSA-N 1 2 288.380 1.369 20 30 CDEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000080906787 358108406 /nfs/dbraw/zinc/10/84/06/358108406.db2.gz ARMZZSVCSKHXGS-INIZCTEOSA-N 1 2 298.390 1.147 20 30 CDEDLO Cc1cc(CN2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)no1 ZINC000191189607 358119231 /nfs/dbraw/zinc/11/92/31/358119231.db2.gz YVRSUOBBBJECDX-UHFFFAOYSA-N 1 2 299.378 1.511 20 30 CDEDLO C[C@H]1CCN(C(=O)c2ccnc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000193529132 358301360 /nfs/dbraw/zinc/30/13/60/358301360.db2.gz NMTVVMBYNIOASM-SWLSCSKDSA-N 1 2 295.346 1.873 20 30 CDEDLO COCC#CC[N@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000644709017 366393055 /nfs/dbraw/zinc/39/30/55/366393055.db2.gz LPFLNYXTLCEERQ-UHFFFAOYSA-N 1 2 290.338 1.539 20 30 CDEDLO COCC#CC[N@@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000644709017 366393059 /nfs/dbraw/zinc/39/30/59/366393059.db2.gz LPFLNYXTLCEERQ-UHFFFAOYSA-N 1 2 290.338 1.539 20 30 CDEDLO CCN1CC[N@H+](Cc2ccc(CC#N)cc2)[C@H](C)C1=O ZINC000495241075 366520327 /nfs/dbraw/zinc/52/03/27/366520327.db2.gz OJOCUCFYQVVNLM-CYBMUJFWSA-N 1 2 271.364 1.805 20 30 CDEDLO CCN1CC[N@@H+](Cc2ccc(CC#N)cc2)[C@H](C)C1=O ZINC000495241075 366520333 /nfs/dbraw/zinc/52/03/33/366520333.db2.gz OJOCUCFYQVVNLM-CYBMUJFWSA-N 1 2 271.364 1.805 20 30 CDEDLO C=CC[N@@H+](C)Cc1nc(N)nc(Nc2ccc(C)cc2)n1 ZINC000494653490 366508555 /nfs/dbraw/zinc/50/85/55/366508555.db2.gz KMSUMNVQNKQQOA-UHFFFAOYSA-N 1 2 284.367 1.954 20 30 CDEDLO C=CC[N@H+](C)Cc1nc(N)nc(Nc2ccc(C)cc2)n1 ZINC000494653490 366508563 /nfs/dbraw/zinc/50/85/63/366508563.db2.gz KMSUMNVQNKQQOA-UHFFFAOYSA-N 1 2 284.367 1.954 20 30 CDEDLO C=CCN(C)C(=O)[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000346498748 359018260 /nfs/dbraw/zinc/01/82/60/359018260.db2.gz WZFYUASGWZGHJE-STQMWFEESA-N 1 2 259.353 1.798 20 30 CDEDLO N#Cc1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000159411970 359084025 /nfs/dbraw/zinc/08/40/25/359084025.db2.gz KSVVJTAIGSDZHZ-AWEZNQCLSA-N 1 2 280.331 1.634 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1CCn2nc(C)nc2C1 ZINC000271166988 359420497 /nfs/dbraw/zinc/42/04/97/359420497.db2.gz FYKVUCUHCWISHM-UHFFFAOYSA-N 1 2 282.347 1.614 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1CCn2nc(C)nc2C1 ZINC000271166988 359420502 /nfs/dbraw/zinc/42/05/02/359420502.db2.gz FYKVUCUHCWISHM-UHFFFAOYSA-N 1 2 282.347 1.614 20 30 CDEDLO C#C[C@@H](C)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000274779608 359518295 /nfs/dbraw/zinc/51/82/95/359518295.db2.gz UZJNSHCSADKUJM-CYBMUJFWSA-N 1 2 272.348 1.270 20 30 CDEDLO C#CC[NH+]1CCN(c2ncc(C(=O)OCC)s2)CC1 ZINC000075968636 359760206 /nfs/dbraw/zinc/76/02/06/359760206.db2.gz NEEGQMFWVKQGPB-UHFFFAOYSA-N 1 2 279.365 1.075 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000496352962 359939661 /nfs/dbraw/zinc/93/96/61/359939661.db2.gz WJUIPOQOQVRBOB-CYBMUJFWSA-N 1 2 274.324 1.226 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000496352962 359939664 /nfs/dbraw/zinc/93/96/64/359939664.db2.gz WJUIPOQOQVRBOB-CYBMUJFWSA-N 1 2 274.324 1.226 20 30 CDEDLO CCN(CCC#N)S(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000336956577 359950446 /nfs/dbraw/zinc/95/04/46/359950446.db2.gz ZSESFTMGSRCARN-NSHDSACASA-N 1 2 297.384 1.027 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)N(CC)C[C@H]2C)C1=O ZINC000337197077 360019547 /nfs/dbraw/zinc/01/95/47/360019547.db2.gz YBPKXHREKGWTQH-MCIONIFRSA-N 1 2 265.401 1.188 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)N(CC)C[C@H]2C)C1=O ZINC000337197077 360019553 /nfs/dbraw/zinc/01/95/53/360019553.db2.gz YBPKXHREKGWTQH-MCIONIFRSA-N 1 2 265.401 1.188 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2nn(C)c3ccccc23)nn1 ZINC000643794463 360295611 /nfs/dbraw/zinc/29/56/11/360295611.db2.gz MUZVTMMGGFBBLN-UHFFFAOYSA-N 1 2 282.351 1.641 20 30 CDEDLO C=CCCn1cc(C(=O)Nc2cc[nH+]cc2CC)nn1 ZINC000424661869 360333941 /nfs/dbraw/zinc/33/39/41/360333941.db2.gz FVPUAJNMFLNEIG-UHFFFAOYSA-N 1 2 271.324 1.486 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000424642891 360326244 /nfs/dbraw/zinc/32/62/44/360326244.db2.gz DWGKLSBVNSGXQD-CYBMUJFWSA-N 1 2 267.417 1.341 20 30 CDEDLO CCN(CC)C(=O)C[N@H+](C)Cc1cc(C#N)ccc1OC ZINC000130428883 360394087 /nfs/dbraw/zinc/39/40/87/360394087.db2.gz DIYAUZRXLSLPAL-UHFFFAOYSA-N 1 2 289.379 1.867 20 30 CDEDLO CCN(CC)C(=O)C[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000130428883 360394091 /nfs/dbraw/zinc/39/40/91/360394091.db2.gz DIYAUZRXLSLPAL-UHFFFAOYSA-N 1 2 289.379 1.867 20 30 CDEDLO O=C1C[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]2CCCC[C@@H]2N1 ZINC000245944159 360773281 /nfs/dbraw/zinc/77/32/81/360773281.db2.gz NJWBMFWOCUZNKF-JKSUJKDBSA-N 1 2 286.350 1.920 20 30 CDEDLO O=C1C[N@H+](CC#Cc2ccc(F)cc2)[C@@H]2CCCC[C@@H]2N1 ZINC000245944159 360773283 /nfs/dbraw/zinc/77/32/83/360773283.db2.gz NJWBMFWOCUZNKF-JKSUJKDBSA-N 1 2 286.350 1.920 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cnc(OC)s2)nn1 ZINC000639275761 360774673 /nfs/dbraw/zinc/77/46/73/360774673.db2.gz RJNHDFMSJGLXNN-UHFFFAOYSA-N 1 2 265.342 1.219 20 30 CDEDLO C[N@H+](CCC(F)(F)F)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000338258715 360806594 /nfs/dbraw/zinc/80/65/94/360806594.db2.gz YYPLKYZNKAJPER-NSHDSACASA-N 1 2 277.290 1.679 20 30 CDEDLO C[N@@H+](CCC(F)(F)F)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000338258715 360806596 /nfs/dbraw/zinc/80/65/96/360806596.db2.gz YYPLKYZNKAJPER-NSHDSACASA-N 1 2 277.290 1.679 20 30 CDEDLO C[C@@H](C(=O)NCC(F)(F)F)[N@H+](C)CC(C)(C)C#N ZINC000433294795 361228560 /nfs/dbraw/zinc/22/85/60/361228560.db2.gz AXKMJGWVZZKZQD-QMMMGPOBSA-N 1 2 265.279 1.535 20 30 CDEDLO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+](C)CC(C)(C)C#N ZINC000433294795 361228566 /nfs/dbraw/zinc/22/85/66/361228566.db2.gz AXKMJGWVZZKZQD-QMMMGPOBSA-N 1 2 265.279 1.535 20 30 CDEDLO COc1cc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc1C ZINC000562322951 361280214 /nfs/dbraw/zinc/28/02/14/361280214.db2.gz DFGZOFIBPQPOKH-INIZCTEOSA-N 1 2 289.379 1.506 20 30 CDEDLO CC(C)CC[N@H+](CCC#N)C[C@@H]1CCS(=O)(=O)C1 ZINC000434542550 361334726 /nfs/dbraw/zinc/33/47/26/361334726.db2.gz ARGHJYKWELCRIK-ZDUSSCGKSA-N 1 2 272.414 1.683 20 30 CDEDLO CC(C)CC[N@@H+](CCC#N)C[C@@H]1CCS(=O)(=O)C1 ZINC000434542550 361334728 /nfs/dbraw/zinc/33/47/28/361334728.db2.gz ARGHJYKWELCRIK-ZDUSSCGKSA-N 1 2 272.414 1.683 20 30 CDEDLO C=C(C)C[N@@H+]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC000496438052 366825599 /nfs/dbraw/zinc/82/55/99/366825599.db2.gz UBXARXQJBFMFCY-UHFFFAOYSA-N 1 2 282.384 1.884 20 30 CDEDLO C=C(C)C[N@H+]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC000496438052 366825602 /nfs/dbraw/zinc/82/56/02/366825602.db2.gz UBXARXQJBFMFCY-UHFFFAOYSA-N 1 2 282.384 1.884 20 30 CDEDLO O=C(NCCc1ccon1)C1([NH+]2CCOCC2)CCC1 ZINC000329352569 361487221 /nfs/dbraw/zinc/48/72/21/361487221.db2.gz XQGOQKBTYJTINC-UHFFFAOYSA-N 1 2 279.340 1.429 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)C1CC(O)C1 ZINC000353489338 291276097 /nfs/dbraw/zinc/27/60/97/291276097.db2.gz IQHYTXBLINLULQ-JXQTWKCFSA-N 1 2 274.320 1.227 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)C1CC(O)C1 ZINC000353489338 291276100 /nfs/dbraw/zinc/27/61/00/291276100.db2.gz IQHYTXBLINLULQ-JXQTWKCFSA-N 1 2 274.320 1.227 20 30 CDEDLO C=CCOc1cccc(C[NH2+]CC(F)(F)CO)c1 ZINC000183891307 189370142 /nfs/dbraw/zinc/37/01/42/189370142.db2.gz XJDLDUTYLLSRHE-UHFFFAOYSA-N 1 2 257.280 1.969 20 30 CDEDLO C#CCOc1ccc([C@@H](C)[NH2+]CC(F)(F)CO)cc1 ZINC000184702222 189393359 /nfs/dbraw/zinc/39/33/59/189393359.db2.gz LYNQBLMCQATMGB-LLVKDONJSA-N 1 2 269.291 1.977 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccco1 ZINC000030277368 363951337 /nfs/dbraw/zinc/95/13/37/363951337.db2.gz DQDPGKGCFZUCOV-JTQLQIEISA-N 1 2 265.313 1.112 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccco1 ZINC000030277368 363951342 /nfs/dbraw/zinc/95/13/42/363951342.db2.gz DQDPGKGCFZUCOV-JTQLQIEISA-N 1 2 265.313 1.112 20 30 CDEDLO C[C@@H](C#N)CNC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000566436580 370722075 /nfs/dbraw/zinc/72/20/75/370722075.db2.gz CAHVBWHPYCYTOG-DTWKUNHWSA-N 1 2 288.273 1.732 20 30 CDEDLO N#CCC(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000374870465 370762417 /nfs/dbraw/zinc/76/24/17/370762417.db2.gz ACRILOWKLQIDGC-GFCCVEGCSA-N 1 2 263.728 1.727 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2C[C@@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000374635739 370737478 /nfs/dbraw/zinc/73/74/78/370737478.db2.gz JCJZDDPDWUDQHY-WYUUTHIRSA-N 1 2 273.760 1.922 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2C[C@@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000374635739 370737481 /nfs/dbraw/zinc/73/74/81/370737481.db2.gz JCJZDDPDWUDQHY-WYUUTHIRSA-N 1 2 273.760 1.922 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@H]1C ZINC000639687934 364405936 /nfs/dbraw/zinc/40/59/36/364405936.db2.gz KSRLLJFEPHAVMA-MGPQQGTHSA-N 1 2 293.411 1.127 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@H]1C ZINC000639687934 364405940 /nfs/dbraw/zinc/40/59/40/364405940.db2.gz KSRLLJFEPHAVMA-MGPQQGTHSA-N 1 2 293.411 1.127 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000352899023 364608080 /nfs/dbraw/zinc/60/80/80/364608080.db2.gz GNSHLEHOPMKQIV-ZDUSSCGKSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000352899023 364608085 /nfs/dbraw/zinc/60/80/85/364608085.db2.gz GNSHLEHOPMKQIV-ZDUSSCGKSA-N 1 2 283.416 1.751 20 30 CDEDLO C#CC[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000301077784 364765700 /nfs/dbraw/zinc/76/57/00/364765700.db2.gz JIMYUUWWARIDQI-UHFFFAOYSA-N 1 2 280.169 1.599 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2cccnc2)nn1 ZINC000641022489 364847009 /nfs/dbraw/zinc/84/70/09/364847009.db2.gz WIUDCMHSVKVSRU-GFCCVEGCSA-N 1 2 255.325 1.395 20 30 CDEDLO C=CCn1c(=O)[nH]nc1SCc1cn(C)c[nH+]1 ZINC000641463832 365459531 /nfs/dbraw/zinc/45/95/31/365459531.db2.gz ADXLGRINKQAPTD-UHFFFAOYSA-N 1 2 251.315 1.196 20 30 CDEDLO COc1ccc(Cl)cc1C[N@H+](C)CC(=O)NCC#N ZINC000066473911 368353562 /nfs/dbraw/zinc/35/35/62/368353562.db2.gz HJLCXIADSJXSQQ-UHFFFAOYSA-N 1 2 281.743 1.420 20 30 CDEDLO COc1ccc(Cl)cc1C[N@@H+](C)CC(=O)NCC#N ZINC000066473911 368353567 /nfs/dbraw/zinc/35/35/67/368353567.db2.gz HJLCXIADSJXSQQ-UHFFFAOYSA-N 1 2 281.743 1.420 20 30 CDEDLO CCc1ccc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000567170615 370902103 /nfs/dbraw/zinc/90/21/03/370902103.db2.gz FGMIPHICCJJYBD-INIZCTEOSA-N 1 2 273.380 1.752 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2nc(C)c(C)o2)nn1 ZINC000630599389 369362487 /nfs/dbraw/zinc/36/24/87/369362487.db2.gz KWJVJROXZRFQLE-UHFFFAOYSA-N 1 2 259.313 1.044 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cc(C(=O)OC)oc1C ZINC000490675907 261182753 /nfs/dbraw/zinc/18/27/53/261182753.db2.gz GFAKZPSKJZCAOD-UHFFFAOYSA-N 1 2 259.305 1.833 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cc(C(=O)OC)oc1C ZINC000490675907 261182755 /nfs/dbraw/zinc/18/27/55/261182755.db2.gz GFAKZPSKJZCAOD-UHFFFAOYSA-N 1 2 259.305 1.833 20 30 CDEDLO N#CC1(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CC1 ZINC000564610016 370243978 /nfs/dbraw/zinc/24/39/78/370243978.db2.gz ZYLNRTDMKFYTRL-GFCCVEGCSA-N 1 2 297.424 1.084 20 30 CDEDLO N#CC1(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CC1 ZINC000564610016 370243984 /nfs/dbraw/zinc/24/39/84/370243984.db2.gz ZYLNRTDMKFYTRL-GFCCVEGCSA-N 1 2 297.424 1.084 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CSCc1ccccn1 ZINC000565457297 370448376 /nfs/dbraw/zinc/44/83/76/370448376.db2.gz UHXGTONRNXNFER-AWEZNQCLSA-N 1 2 292.408 1.275 20 30 CDEDLO Cc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(F)c1 ZINC000568516518 371226371 /nfs/dbraw/zinc/22/63/71/371226371.db2.gz DVJLUYDJBVGESI-AWEZNQCLSA-N 1 2 263.316 1.708 20 30 CDEDLO CC(C)CCN(CCC#N)C(=O)Cc1c[nH+]cn1C ZINC000573826934 371674968 /nfs/dbraw/zinc/67/49/68/371674968.db2.gz UNLPNKUINPPMCU-UHFFFAOYSA-N 1 2 262.357 1.751 20 30 CDEDLO CC(C)(CCC#N)CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000348985104 372200540 /nfs/dbraw/zinc/20/05/40/372200540.db2.gz NAOWYBQLSRIJTP-NSHDSACASA-N 1 2 289.339 1.203 20 30 CDEDLO CC(C)(CCC#N)CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000348985104 372200550 /nfs/dbraw/zinc/20/05/50/372200550.db2.gz NAOWYBQLSRIJTP-NSHDSACASA-N 1 2 289.339 1.203 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@@H](COC)c1ccc(C)o1 ZINC000184656492 372649730 /nfs/dbraw/zinc/64/97/30/372649730.db2.gz VASRDABIKUKIKP-NSHDSACASA-N 1 2 252.314 1.167 20 30 CDEDLO CCOC(=O)[C@H]1CSCC[N@@H+]1CCCSCC#N ZINC000610409707 373733712 /nfs/dbraw/zinc/73/37/12/373733712.db2.gz VVNQOQUYRAVRKV-LLVKDONJSA-N 1 2 288.438 1.614 20 30 CDEDLO CCOC(=O)[C@H]1CSCC[N@H+]1CCCSCC#N ZINC000610409707 373733716 /nfs/dbraw/zinc/73/37/16/373733716.db2.gz VVNQOQUYRAVRKV-LLVKDONJSA-N 1 2 288.438 1.614 20 30 CDEDLO Cc1cccc(S(=O)(=O)NCc2[nH+]ccn2C)c1C#N ZINC000355094545 373819916 /nfs/dbraw/zinc/81/99/16/373819916.db2.gz MLFMCJMQPTVLOB-UHFFFAOYSA-N 1 2 290.348 1.079 20 30 CDEDLO C=CCCC1(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000341750118 373945456 /nfs/dbraw/zinc/94/54/56/373945456.db2.gz KVDUQWHQCXWOOX-ZIAGYGMSSA-N 1 2 278.396 1.664 20 30 CDEDLO C=CCCC1(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000341750118 373945464 /nfs/dbraw/zinc/94/54/64/373945464.db2.gz KVDUQWHQCXWOOX-ZIAGYGMSSA-N 1 2 278.396 1.664 20 30 CDEDLO CC(C)(CNC(=O)c1sccc1C#N)[NH+]1CCOCC1 ZINC000052028621 374075620 /nfs/dbraw/zinc/07/56/20/374075620.db2.gz CZPXVENWOAHBBM-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000350896035 374124538 /nfs/dbraw/zinc/12/45/38/374124538.db2.gz MHDWCJCMJNWNPP-VXGBXAGGSA-N 1 2 293.392 1.271 20 30 CDEDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000350896035 374124546 /nfs/dbraw/zinc/12/45/46/374124546.db2.gz MHDWCJCMJNWNPP-VXGBXAGGSA-N 1 2 293.392 1.271 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000528682814 374452961 /nfs/dbraw/zinc/45/29/61/374452961.db2.gz YCJRPLZELWHAJW-ZDUSSCGKSA-N 1 2 258.325 1.006 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000528682814 374452969 /nfs/dbraw/zinc/45/29/69/374452969.db2.gz YCJRPLZELWHAJW-ZDUSSCGKSA-N 1 2 258.325 1.006 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000376095940 374537832 /nfs/dbraw/zinc/53/78/32/374537832.db2.gz OOBKMGXULIJYMH-NSHDSACASA-N 1 2 283.335 1.640 20 30 CDEDLO N#Cc1ccc(CNC(=O)COc2cc[nH+]cc2)cc1 ZINC000431492614 374670472 /nfs/dbraw/zinc/67/04/72/374670472.db2.gz DEOBQJFGWHLXCJ-UHFFFAOYSA-N 1 2 267.288 1.648 20 30 CDEDLO CC(C)(CNC(=O)C1(C#N)CCCC1)[NH+]1CCOCC1 ZINC000041903709 374784216 /nfs/dbraw/zinc/78/42/16/374784216.db2.gz PODTVSYHYSTNPU-UHFFFAOYSA-N 1 2 279.384 1.297 20 30 CDEDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1sccc1C#N ZINC000334355197 374987775 /nfs/dbraw/zinc/98/77/75/374987775.db2.gz AHMOVWKVANOZKK-UWVGGRQHSA-N 1 2 263.366 1.784 20 30 CDEDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1sccc1C#N ZINC000334355197 374987777 /nfs/dbraw/zinc/98/77/77/374987777.db2.gz AHMOVWKVANOZKK-UWVGGRQHSA-N 1 2 263.366 1.784 20 30 CDEDLO O=C1CC[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CCN12 ZINC000334356330 374997446 /nfs/dbraw/zinc/99/74/46/374997446.db2.gz NCDRRESWBDIFSI-OAHLLOKOSA-N 1 2 272.323 1.484 20 30 CDEDLO O=C1CC[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)CCN12 ZINC000334356330 374997454 /nfs/dbraw/zinc/99/74/54/374997454.db2.gz NCDRRESWBDIFSI-OAHLLOKOSA-N 1 2 272.323 1.484 20 30 CDEDLO N#Cc1cccc(NCC(=O)NCc2c[nH+]c[nH]2)c1 ZINC000426855820 247070853 /nfs/dbraw/zinc/07/08/53/247070853.db2.gz ZYQFJCCMVZGELC-UHFFFAOYSA-N 1 2 255.281 1.010 20 30 CDEDLO N#Cc1cccc(NCC(=O)NCc2c[nH]c[nH+]2)c1 ZINC000426855820 247070859 /nfs/dbraw/zinc/07/08/59/247070859.db2.gz ZYQFJCCMVZGELC-UHFFFAOYSA-N 1 2 255.281 1.010 20 30 CDEDLO CC(C)N1C[C@H](NC(=O)C(C)(C)[NH+]2CCOCC2)CC1=O ZINC000328678940 375925673 /nfs/dbraw/zinc/92/56/73/375925673.db2.gz MQESEJLXPIAOEU-GFCCVEGCSA-N 1 2 297.399 1.063 20 30 CDEDLO Cc1cn2cc(NC(=O)[C@@H]3COCCN3C)ccc2[nH+]1 ZINC000328942447 376016017 /nfs/dbraw/zinc/01/60/17/376016017.db2.gz LITZIDGAQXIPJR-LBPRGKRZSA-N 1 2 274.324 1.561 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@H](C)[C@@H](O)C(F)(F)F)nn1 ZINC000631234885 376028144 /nfs/dbraw/zinc/02/81/44/376028144.db2.gz SSXUIIUOPDNMLJ-PSASIEDQSA-N 1 2 278.278 1.256 20 30 CDEDLO C=C(Br)C[NH+]1CCC(N(C)C(C)=O)CC1 ZINC000263719720 190074442 /nfs/dbraw/zinc/07/44/42/190074442.db2.gz QSMMMZWFMTUCJU-UHFFFAOYSA-N 1 2 275.190 1.838 20 30 CDEDLO CN(Cc1cccc(C#N)c1)C(=O)NCc1[nH+]ccn1C ZINC000264203647 190096266 /nfs/dbraw/zinc/09/62/66/190096266.db2.gz QOXXEKBJWGLGRJ-UHFFFAOYSA-N 1 2 283.335 1.633 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068478016 376714102 /nfs/dbraw/zinc/71/41/02/376714102.db2.gz MNGQHLKUFDXWKN-ZDUSSCGKSA-N 1 2 266.385 1.686 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068478016 376714110 /nfs/dbraw/zinc/71/41/10/376714110.db2.gz MNGQHLKUFDXWKN-ZDUSSCGKSA-N 1 2 266.385 1.686 20 30 CDEDLO Cc1cc(C)c(C#N)c(NC[C@@H](C)[NH+]2CCN(C)CC2)n1 ZINC000264810205 190136031 /nfs/dbraw/zinc/13/60/31/190136031.db2.gz DKQYFRUDPNZDGK-CQSZACIVSA-N 1 2 287.411 1.618 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NC(=O)NCC(C)C ZINC000249853817 377481046 /nfs/dbraw/zinc/48/10/46/377481046.db2.gz CPQYHOLTPZFNFI-NWDGAFQWSA-N 1 2 282.388 1.338 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NC(=O)NCC(C)C ZINC000249853817 377481056 /nfs/dbraw/zinc/48/10/56/377481056.db2.gz CPQYHOLTPZFNFI-NWDGAFQWSA-N 1 2 282.388 1.338 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N1CCCCC1 ZINC000249974816 377485550 /nfs/dbraw/zinc/48/55/50/377485550.db2.gz PWAAKVIXZKBJGS-CHWSQXEVSA-N 1 2 251.374 1.869 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N1CCCCC1 ZINC000249974816 377485554 /nfs/dbraw/zinc/48/55/54/377485554.db2.gz PWAAKVIXZKBJGS-CHWSQXEVSA-N 1 2 251.374 1.869 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2CC)c1 ZINC000131219225 377655886 /nfs/dbraw/zinc/65/58/86/377655886.db2.gz CWNXRMXZPBLENL-HNNXBMFYSA-N 1 2 274.364 1.962 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2CCNC(=O)[C@@H]2CC)c1 ZINC000131219225 377655892 /nfs/dbraw/zinc/65/58/92/377655892.db2.gz CWNXRMXZPBLENL-HNNXBMFYSA-N 1 2 274.364 1.962 20 30 CDEDLO C[C@@H]1C[C@]1(C#N)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000572332140 377886083 /nfs/dbraw/zinc/88/60/83/377886083.db2.gz XVYATNISILCXAF-IUODEOHRSA-N 1 2 289.404 1.942 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]([C@@H](CC)C(=O)OCC)C2CC2)C1=O ZINC000281178197 377991027 /nfs/dbraw/zinc/99/10/27/377991027.db2.gz ASZJNTHGVUJTCH-KBPBESRZSA-N 1 2 294.395 1.579 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]([C@@H](CC)C(=O)OCC)C2CC2)C1=O ZINC000281178197 377991034 /nfs/dbraw/zinc/99/10/34/377991034.db2.gz ASZJNTHGVUJTCH-KBPBESRZSA-N 1 2 294.395 1.579 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(C(=O)OC)ccc1C ZINC000192225950 378176083 /nfs/dbraw/zinc/17/60/83/378176083.db2.gz PMTAADTUYCTVTH-UHFFFAOYSA-N 1 2 274.320 1.285 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1cc(C(=O)OC)ccc1C ZINC000192225950 378176087 /nfs/dbraw/zinc/17/60/87/378176087.db2.gz PMTAADTUYCTVTH-UHFFFAOYSA-N 1 2 274.320 1.285 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000192235503 378177805 /nfs/dbraw/zinc/17/78/05/378177805.db2.gz KGGBYVNGUBQJRI-SECBINFHSA-N 1 2 252.264 1.857 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000192235503 378177809 /nfs/dbraw/zinc/17/78/09/378177809.db2.gz KGGBYVNGUBQJRI-SECBINFHSA-N 1 2 252.264 1.857 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000288231515 378307000 /nfs/dbraw/zinc/30/70/00/378307000.db2.gz RPTFYTCSSQOFSF-RISCZKNCSA-N 1 2 263.341 1.440 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065422516 378515100 /nfs/dbraw/zinc/51/51/00/378515100.db2.gz ONKUMLSNRNHCMU-GFCCVEGCSA-N 1 2 267.373 1.248 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065422516 378515110 /nfs/dbraw/zinc/51/51/10/378515110.db2.gz ONKUMLSNRNHCMU-GFCCVEGCSA-N 1 2 267.373 1.248 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000293151183 378541401 /nfs/dbraw/zinc/54/14/01/378541401.db2.gz OCOFMGTXXXSFKD-LBPRGKRZSA-N 1 2 290.363 1.986 20 30 CDEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000293151183 378541409 /nfs/dbraw/zinc/54/14/09/378541409.db2.gz OCOFMGTXXXSFKD-LBPRGKRZSA-N 1 2 290.363 1.986 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000293813662 378613967 /nfs/dbraw/zinc/61/39/67/378613967.db2.gz OKRXXYIRHMAVNW-UHFFFAOYSA-N 1 2 290.363 1.353 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000343934424 379022345 /nfs/dbraw/zinc/02/23/45/379022345.db2.gz MKQJBXNWRYDNMR-LLVKDONJSA-N 1 2 279.340 1.212 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000343934424 379022348 /nfs/dbraw/zinc/02/23/48/379022348.db2.gz MKQJBXNWRYDNMR-LLVKDONJSA-N 1 2 279.340 1.212 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1csc([C@@H](C)OCC)n1 ZINC000662166099 412913475 /nfs/dbraw/zinc/91/34/75/412913475.db2.gz ZRVUMGSADCJBQA-NXEZZACHSA-N 1 2 256.371 1.877 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000278973723 194236853 /nfs/dbraw/zinc/23/68/53/194236853.db2.gz XUSPHYDBGAKQHS-CQSZACIVSA-N 1 2 263.341 1.374 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)N1c2ccccc2C[C@H]1C ZINC000267317164 190320747 /nfs/dbraw/zinc/32/07/47/190320747.db2.gz NTKXDAODQWVEFF-CYBMUJFWSA-N 1 2 256.349 1.919 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)N1c2ccccc2C[C@H]1C ZINC000267317164 190320748 /nfs/dbraw/zinc/32/07/48/190320748.db2.gz NTKXDAODQWVEFF-CYBMUJFWSA-N 1 2 256.349 1.919 20 30 CDEDLO C#CC[N@@H+](CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000267362298 190324147 /nfs/dbraw/zinc/32/41/47/190324147.db2.gz WRWUFHSTIYFOAH-UHFFFAOYSA-N 1 2 276.292 1.916 20 30 CDEDLO C#CC[N@H+](CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000267362298 190324148 /nfs/dbraw/zinc/32/41/48/190324148.db2.gz WRWUFHSTIYFOAH-UHFFFAOYSA-N 1 2 276.292 1.916 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(C)s2)C1=O ZINC000281122256 195112182 /nfs/dbraw/zinc/11/21/82/195112182.db2.gz CGXLXJCADXUMFG-GFCCVEGCSA-N 1 2 265.382 1.670 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(C)s2)C1=O ZINC000281122256 195112185 /nfs/dbraw/zinc/11/21/85/195112185.db2.gz CGXLXJCADXUMFG-GFCCVEGCSA-N 1 2 265.382 1.670 20 30 CDEDLO N#Cc1cccc(CCNC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000493258088 253411815 /nfs/dbraw/zinc/41/18/15/253411815.db2.gz QGSDDPZMYWRBCF-SNAWJCMRSA-N 1 2 266.304 1.653 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000347054743 533115781 /nfs/dbraw/zinc/11/57/81/533115781.db2.gz AADBXWXBSQIALS-GXFFZTMASA-N 1 2 286.310 1.924 20 30 CDEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)[C@H]1C ZINC000329246031 285192879 /nfs/dbraw/zinc/19/28/79/285192879.db2.gz QVUCCINBEZQCAJ-SDDRHHMPSA-N 1 2 288.413 1.393 20 30 CDEDLO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)[C@H]1C ZINC000329246031 285192884 /nfs/dbraw/zinc/19/28/84/285192884.db2.gz QVUCCINBEZQCAJ-SDDRHHMPSA-N 1 2 288.413 1.393 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cncc(F)c2)C1=O ZINC000281342665 195204876 /nfs/dbraw/zinc/20/48/76/195204876.db2.gz SWWKKWHDUDKBMP-ZDUSSCGKSA-N 1 2 263.316 1.439 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cncc(F)c2)C1=O ZINC000281342665 195204878 /nfs/dbraw/zinc/20/48/78/195204878.db2.gz SWWKKWHDUDKBMP-ZDUSSCGKSA-N 1 2 263.316 1.439 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(C(C)C)C(C)C)C1=O ZINC000281469217 195254320 /nfs/dbraw/zinc/25/43/20/195254320.db2.gz VTQXYEZUAMLYRD-CQSZACIVSA-N 1 2 295.427 1.351 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(C(C)C)C(C)C)C1=O ZINC000281469217 195254323 /nfs/dbraw/zinc/25/43/23/195254323.db2.gz VTQXYEZUAMLYRD-CQSZACIVSA-N 1 2 295.427 1.351 20 30 CDEDLO C=CC[C@@H](C)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000116974476 260021446 /nfs/dbraw/zinc/02/14/46/260021446.db2.gz XIWNUTNGJXFSSI-CYBMUJFWSA-N 1 2 274.368 1.878 20 30 CDEDLO C=CCCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000660304178 413045788 /nfs/dbraw/zinc/04/57/88/413045788.db2.gz AWDDCJPIPRAJJY-UHFFFAOYSA-N 1 2 290.367 1.294 20 30 CDEDLO NC(=[NH+]OCCC1OCCO1)c1ccc(F)c(F)c1 ZINC000120203629 390866260 /nfs/dbraw/zinc/86/62/60/390866260.db2.gz JKGBKNFNVYSHJC-UHFFFAOYSA-N 1 2 272.251 1.365 20 30 CDEDLO CC(C)COC(=O)N1CCC[N@H+](CCC#N)CC1 ZINC000101555436 390947783 /nfs/dbraw/zinc/94/77/83/390947783.db2.gz VRILNKPIIPOXLB-UHFFFAOYSA-N 1 2 253.346 1.700 20 30 CDEDLO CC(C)COC(=O)N1CCC[N@@H+](CCC#N)CC1 ZINC000101555436 390947784 /nfs/dbraw/zinc/94/77/84/390947784.db2.gz VRILNKPIIPOXLB-UHFFFAOYSA-N 1 2 253.346 1.700 20 30 CDEDLO Cc1ccc(F)cc1NC(=O)[C@H](C)O[NH+]=C(N)CCO ZINC000121340477 390884080 /nfs/dbraw/zinc/88/40/80/390884080.db2.gz GWOYBJFWPPKLPB-VIFPVBQESA-N 1 2 283.303 1.132 20 30 CDEDLO Cc1nn(-c2ccccc2)cc1C[NH+]1CCN(CC#N)CC1 ZINC000092936129 390898093 /nfs/dbraw/zinc/89/80/93/390898093.db2.gz QUCRLMLQWHBAFG-UHFFFAOYSA-N 1 2 295.390 1.822 20 30 CDEDLO C[C@H](O)C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329628078 391045921 /nfs/dbraw/zinc/04/59/21/391045921.db2.gz PQGCTZILTYMZSO-TUAOUCFPSA-N 1 2 292.383 1.416 20 30 CDEDLO C[C@H](O)C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329628078 391045924 /nfs/dbraw/zinc/04/59/24/391045924.db2.gz PQGCTZILTYMZSO-TUAOUCFPSA-N 1 2 292.383 1.416 20 30 CDEDLO C[C@H]([NH+]=C([O-])N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCCO1 ZINC000329630784 391054599 /nfs/dbraw/zinc/05/45/99/391054599.db2.gz VOXANEHTMSMHIE-MISXGVKJSA-N 1 2 292.383 1.728 20 30 CDEDLO CCN(CC#N)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000373480736 391120606 /nfs/dbraw/zinc/12/06/06/391120606.db2.gz CELIQXLYRKJMGX-CYBMUJFWSA-N 1 2 265.357 1.002 20 30 CDEDLO CCN(CC#N)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000373480736 391120609 /nfs/dbraw/zinc/12/06/09/391120609.db2.gz CELIQXLYRKJMGX-CYBMUJFWSA-N 1 2 265.357 1.002 20 30 CDEDLO C[C@@H](C#N)S(=O)(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000352412006 391127696 /nfs/dbraw/zinc/12/76/96/391127696.db2.gz AVTILCRDOBZZQG-NSHDSACASA-N 1 2 290.348 1.204 20 30 CDEDLO C=CCCOCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373746705 391130550 /nfs/dbraw/zinc/13/05/50/391130550.db2.gz QCUUGGXBSXTHSY-GFCCVEGCSA-N 1 2 263.341 1.154 20 30 CDEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCOC[C@H]1C#N ZINC000175881039 391142169 /nfs/dbraw/zinc/14/21/69/391142169.db2.gz OFLYEGCSGFDYLD-GFCCVEGCSA-N 1 2 298.346 1.350 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccn(CCC#N)n1 ZINC000265457905 391156158 /nfs/dbraw/zinc/15/61/58/391156158.db2.gz WEGFJVRDCVIOFM-NSHDSACASA-N 1 2 287.327 1.203 20 30 CDEDLO Cn1c2ccccc2[nH+]c1CCN1CCO[C@H](C#N)C1 ZINC000265492158 391157175 /nfs/dbraw/zinc/15/71/75/391157175.db2.gz KMZQKWIIIGCCLP-GFCCVEGCSA-N 1 2 270.336 1.340 20 30 CDEDLO C#CCNC(=O)[C@H](C)O[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000178170827 391182796 /nfs/dbraw/zinc/18/27/96/391182796.db2.gz YRASSLMEXWLFSN-JTQLQIEISA-N 1 2 293.754 1.309 20 30 CDEDLO COc1ccc(C[NH+]2CCN(CC#N)CC2)c(Cl)c1 ZINC000353162597 533561786 /nfs/dbraw/zinc/56/17/86/533561786.db2.gz APOSGXNNJZVCEZ-UHFFFAOYSA-N 1 2 279.771 1.990 20 30 CDEDLO C#CCCCS(=O)(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000376313888 391222233 /nfs/dbraw/zinc/22/22/33/391222233.db2.gz KUYBILQDRBVQPZ-HNNXBMFYSA-N 1 2 292.404 1.506 20 30 CDEDLO C#CCCCS(=O)(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000376313888 391222235 /nfs/dbraw/zinc/22/22/35/391222235.db2.gz KUYBILQDRBVQPZ-HNNXBMFYSA-N 1 2 292.404 1.506 20 30 CDEDLO N#C[C@@H]1N(CCn2cc[nH+]c2)CCC[C@]12CCCCO2 ZINC000375918970 391207181 /nfs/dbraw/zinc/20/71/81/391207181.db2.gz YDKYURAGZSWKKL-LSDHHAIUSA-N 1 2 274.368 1.810 20 30 CDEDLO C=CCCOCCNC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000345484577 391208663 /nfs/dbraw/zinc/20/86/63/391208663.db2.gz DMTHJZRANJEANF-ZDUSSCGKSA-N 1 2 292.383 1.763 20 30 CDEDLO C=CCCOCCNC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000345484576 391208791 /nfs/dbraw/zinc/20/87/91/391208791.db2.gz DMTHJZRANJEANF-CYBMUJFWSA-N 1 2 292.383 1.763 20 30 CDEDLO COC1(C)C[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000353031022 391322914 /nfs/dbraw/zinc/32/29/14/391322914.db2.gz UKVVLFLIAJEPCB-CQSZACIVSA-N 1 2 290.363 1.213 20 30 CDEDLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000346969739 391379665 /nfs/dbraw/zinc/37/96/65/391379665.db2.gz LVTCQNWBTKILAL-GFCCVEGCSA-N 1 2 272.352 1.637 20 30 CDEDLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000346969739 391379667 /nfs/dbraw/zinc/37/96/67/391379667.db2.gz LVTCQNWBTKILAL-GFCCVEGCSA-N 1 2 272.352 1.637 20 30 CDEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1CC1(C#N)CC1 ZINC000331485508 533653549 /nfs/dbraw/zinc/65/35/49/533653549.db2.gz XRYQJLFGZUHKRY-SNVBAGLBSA-N 1 2 254.355 1.271 20 30 CDEDLO COC(=O)C[C@@H]1CSCC[N@H+]1CC1(C#N)CC1 ZINC000331485508 533653557 /nfs/dbraw/zinc/65/35/57/533653557.db2.gz XRYQJLFGZUHKRY-SNVBAGLBSA-N 1 2 254.355 1.271 20 30 CDEDLO Cn1cc([C@H](CO)[NH2+]Cc2ccc(C#N)cc2Cl)cn1 ZINC000439428954 391632423 /nfs/dbraw/zinc/63/24/23/391632423.db2.gz HCCYDUHMDBBSTC-AWEZNQCLSA-N 1 2 290.754 1.768 20 30 CDEDLO CN(CC1(C#N)CC1)C(C)(C)C[NH+]1CCOCC1 ZINC000412099574 391604553 /nfs/dbraw/zinc/60/45/53/391604553.db2.gz QHCXWWUQNCUYAN-UHFFFAOYSA-N 1 2 251.374 1.333 20 30 CDEDLO C=CCN(CC=C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000105300623 391611576 /nfs/dbraw/zinc/61/15/76/391611576.db2.gz GBLIRSNURUWMSF-KBPBESRZSA-N 1 2 281.400 1.479 20 30 CDEDLO C=CCN1CC[C@H](N(C)C(=O)Nc2cc[nH+]c(C)c2)C1=O ZINC000282077783 391670406 /nfs/dbraw/zinc/67/04/06/391670406.db2.gz XIGVHAWJFQIWFI-ZDUSSCGKSA-N 1 2 288.351 1.641 20 30 CDEDLO COC1CCN(C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000329810315 391783048 /nfs/dbraw/zinc/78/30/48/391783048.db2.gz QQBABPVMHOINIR-LBPRGKRZSA-N 1 2 292.383 1.470 20 30 CDEDLO CC(C)[C@@H]1OCC[C@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000329901158 391796706 /nfs/dbraw/zinc/79/67/06/391796706.db2.gz GQRFMYYHEAKVHQ-KGLIPLIRSA-N 1 2 296.411 1.869 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000336101732 391852387 /nfs/dbraw/zinc/85/23/87/391852387.db2.gz JGRFYBDKDRVPRR-OLZOCXBDSA-N 1 2 252.358 1.274 20 30 CDEDLO COC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000342804016 392045573 /nfs/dbraw/zinc/04/55/73/392045573.db2.gz LGPKQRJFRYRVSX-ZDUSSCGKSA-N 1 2 292.335 1.058 20 30 CDEDLO COC(=O)c1cccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000342804016 392045575 /nfs/dbraw/zinc/04/55/75/392045575.db2.gz LGPKQRJFRYRVSX-ZDUSSCGKSA-N 1 2 292.335 1.058 20 30 CDEDLO C#CC[N@@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C)C1CC1 ZINC000274174068 392135213 /nfs/dbraw/zinc/13/52/13/392135213.db2.gz ODBRVTQIULKILS-TZMCWYRMSA-N 1 2 291.395 1.489 20 30 CDEDLO C#CC[N@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C)C1CC1 ZINC000274174068 392135218 /nfs/dbraw/zinc/13/52/18/392135218.db2.gz ODBRVTQIULKILS-TZMCWYRMSA-N 1 2 291.395 1.489 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000274127121 392135259 /nfs/dbraw/zinc/13/52/59/392135259.db2.gz HTFWUDBUVZRNBB-UHFFFAOYSA-N 1 2 273.292 1.291 20 30 CDEDLO C#CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000274127121 392135261 /nfs/dbraw/zinc/13/52/61/392135261.db2.gz HTFWUDBUVZRNBB-UHFFFAOYSA-N 1 2 273.292 1.291 20 30 CDEDLO Cc1cccn2cc(CNC(=O)c3ccc(C#N)[nH]3)[nH+]c12 ZINC000128056146 392640032 /nfs/dbraw/zinc/64/00/32/392640032.db2.gz RLQISATWICMGCV-UHFFFAOYSA-N 1 2 279.303 1.773 20 30 CDEDLO Cc1oncc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000128890385 392754684 /nfs/dbraw/zinc/75/46/84/392754684.db2.gz XZPXMQXKGAHUNS-NSHDSACASA-N 1 2 298.350 1.355 20 30 CDEDLO Cc1oncc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000128890385 392754686 /nfs/dbraw/zinc/75/46/86/392754686.db2.gz XZPXMQXKGAHUNS-NSHDSACASA-N 1 2 298.350 1.355 20 30 CDEDLO N#Cc1ccc(OCC(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000523700040 392891710 /nfs/dbraw/zinc/89/17/10/392891710.db2.gz NNKOPRIEDHSCEF-UHFFFAOYSA-N 1 2 282.303 1.217 20 30 CDEDLO COc1ccc(C#N)cc1C[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000533469205 393083456 /nfs/dbraw/zinc/08/34/56/393083456.db2.gz PDJZGPNNSVBQCD-UHFFFAOYSA-N 1 2 299.374 1.621 20 30 CDEDLO CCOC[C@@H]1C[N@H+](Cc2cc(C#N)cs2)CCO1 ZINC000529667349 393043105 /nfs/dbraw/zinc/04/31/05/393043105.db2.gz TXMXPUBMBJPGLO-LBPRGKRZSA-N 1 2 266.366 1.857 20 30 CDEDLO CCOC[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)CCO1 ZINC000529667349 393043114 /nfs/dbraw/zinc/04/31/14/393043114.db2.gz TXMXPUBMBJPGLO-LBPRGKRZSA-N 1 2 266.366 1.857 20 30 CDEDLO N#Cc1csc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)c1 ZINC000092703483 147019809 /nfs/dbraw/zinc/01/98/09/147019809.db2.gz UQMZLLLCJLDHNF-OLZOCXBDSA-N 1 2 275.377 1.863 20 30 CDEDLO N#Cc1csc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)c1 ZINC000092703483 147019813 /nfs/dbraw/zinc/01/98/13/147019813.db2.gz UQMZLLLCJLDHNF-OLZOCXBDSA-N 1 2 275.377 1.863 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCOCC2CCCC2)nn1 ZINC000656465806 413319255 /nfs/dbraw/zinc/31/92/55/413319255.db2.gz KUFOHHBEFUPYKY-UHFFFAOYSA-N 1 2 276.384 1.598 20 30 CDEDLO C=CCN(C(=O)N[C@H](C)Cn1cc[nH+]c1)[C@@H](C)COC ZINC000656541593 413394001 /nfs/dbraw/zinc/39/40/01/413394001.db2.gz PVPSCHDFFYETKM-OLZOCXBDSA-N 1 2 280.372 1.504 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c(F)c1 ZINC000371823542 160054329 /nfs/dbraw/zinc/05/43/29/160054329.db2.gz RERBTACOSKQVTI-AWEZNQCLSA-N 1 2 275.327 1.214 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCN3CCOC[C@@H]3C2)c(F)c1 ZINC000371823542 160054332 /nfs/dbraw/zinc/05/43/32/160054332.db2.gz RERBTACOSKQVTI-AWEZNQCLSA-N 1 2 275.327 1.214 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCn2c(C)nnc2C1 ZINC000372451219 160122316 /nfs/dbraw/zinc/12/23/16/160122316.db2.gz IQTPBXNBBYCJLP-UHFFFAOYSA-N 1 2 283.335 1.483 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCn2c(C)nnc2C1 ZINC000372451219 160122317 /nfs/dbraw/zinc/12/23/17/160122317.db2.gz IQTPBXNBBYCJLP-UHFFFAOYSA-N 1 2 283.335 1.483 20 30 CDEDLO CC#CCCNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000664703192 413601328 /nfs/dbraw/zinc/60/13/28/413601328.db2.gz BCEGGSBWYZEEGX-LBPRGKRZSA-N 1 2 292.383 1.192 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2ccccc2CO)nn1 ZINC000657328128 414178828 /nfs/dbraw/zinc/17/88/28/414178828.db2.gz QQJQYUZANBVPOO-UHFFFAOYSA-N 1 2 272.352 1.636 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCc2cc(OC)ccc2C1 ZINC000661738068 414329001 /nfs/dbraw/zinc/32/90/01/414329001.db2.gz OSGGINZJANHYJU-UHFFFAOYSA-N 1 2 260.337 1.356 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCc2cc(OC)ccc2C1 ZINC000661738068 414329008 /nfs/dbraw/zinc/32/90/08/414329008.db2.gz OSGGINZJANHYJU-UHFFFAOYSA-N 1 2 260.337 1.356 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1ncsc1Br ZINC000662169073 414549394 /nfs/dbraw/zinc/54/93/94/414549394.db2.gz FISSXGBHANWGSV-ZCFIWIBFSA-N 1 2 263.160 1.542 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000662167018 414546187 /nfs/dbraw/zinc/54/61/87/414546187.db2.gz OARHZYTYTWHARQ-CMPLNLGQSA-N 1 2 289.335 1.943 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCOC(C)(C)C1 ZINC000078651633 177366739 /nfs/dbraw/zinc/36/67/39/177366739.db2.gz OSOWMFLKFIKKJQ-UHFFFAOYSA-N 1 2 252.358 1.298 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCOC(C)(C)C1 ZINC000078651633 177366740 /nfs/dbraw/zinc/36/67/40/177366740.db2.gz OSOWMFLKFIKKJQ-UHFFFAOYSA-N 1 2 252.358 1.298 20 30 CDEDLO O=C(N[C@@H]1CCCC[C@H]1O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329249898 227382565 /nfs/dbraw/zinc/38/25/65/227382565.db2.gz AWYGCNBEPWNDDJ-QLFBSQMISA-N 1 2 296.411 1.890 20 30 CDEDLO O=C(N[C@@H]1CCCC[C@H]1O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329249898 227382571 /nfs/dbraw/zinc/38/25/71/227382571.db2.gz AWYGCNBEPWNDDJ-QLFBSQMISA-N 1 2 296.411 1.890 20 30 CDEDLO Cc1ncoc1C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000329995143 228010209 /nfs/dbraw/zinc/01/02/09/228010209.db2.gz MWZHYPILOKKAKO-LBPRGKRZSA-N 1 2 281.356 1.644 20 30 CDEDLO C[C@H]1C[C@@H](O)CCN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000330205677 228065104 /nfs/dbraw/zinc/06/51/04/228065104.db2.gz DPENQLITIILNRL-DCAQKATOSA-N 1 2 278.356 1.026 20 30 CDEDLO C[C@H]1C[C@@H](O)CCN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000330205677 228065105 /nfs/dbraw/zinc/06/51/05/228065105.db2.gz DPENQLITIILNRL-DCAQKATOSA-N 1 2 278.356 1.026 20 30 CDEDLO N#C[C@H]1CCC[C@H]1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000332129058 228149899 /nfs/dbraw/zinc/14/98/99/228149899.db2.gz JMELKHROWOPOAQ-ZIAGYGMSSA-N 1 2 299.378 1.605 20 30 CDEDLO N#CC1(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCC1 ZINC000333886251 228218970 /nfs/dbraw/zinc/21/89/70/228218970.db2.gz FWCZUJJSCIOPLO-GFCCVEGCSA-N 1 2 287.367 1.993 20 30 CDEDLO CC(C)NC(=O)CO[NH+]=C(N)Cc1ccccc1Cl ZINC000058497958 260227497 /nfs/dbraw/zinc/22/74/97/260227497.db2.gz NSZSYJVIWNCJKZ-UHFFFAOYSA-N 1 2 283.759 1.696 20 30 CDEDLO C[C@@H](C#N)S(=O)(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000088474767 260232626 /nfs/dbraw/zinc/23/26/26/260232626.db2.gz BFXODPGINOZNOS-GXTWGEPZSA-N 1 2 293.392 1.217 20 30 CDEDLO C[C@@H](C#N)S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000088474767 260232628 /nfs/dbraw/zinc/23/26/28/260232628.db2.gz BFXODPGINOZNOS-GXTWGEPZSA-N 1 2 293.392 1.217 20 30 CDEDLO C[C@@H](O)CN1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000444668146 261059075 /nfs/dbraw/zinc/05/90/75/261059075.db2.gz BUYRQXYWJDIPLL-CQSZACIVSA-N 1 2 273.380 1.251 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccsc1 ZINC000154798431 261095232 /nfs/dbraw/zinc/09/52/32/261095232.db2.gz RYQSCVJEPYZZIG-UHFFFAOYSA-N 1 2 279.409 1.796 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)C(=O)OC ZINC000361114330 261162742 /nfs/dbraw/zinc/16/27/42/261162742.db2.gz RPXZISHHFATDHH-XQQFMLRXSA-N 1 2 271.357 1.135 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000490830436 261219643 /nfs/dbraw/zinc/21/96/43/261219643.db2.gz KOVYZOZBMDYUBU-JOYOIKCWSA-N 1 2 298.745 1.240 20 30 CDEDLO C#C[C@@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000490951373 261263620 /nfs/dbraw/zinc/26/36/20/261263620.db2.gz XHNHUKMRBVTNRJ-VXGBXAGGSA-N 1 2 260.341 1.155 20 30 CDEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)CCc2c[nH+]cn2C)C1 ZINC000189039487 262166161 /nfs/dbraw/zinc/16/61/61/262166161.db2.gz JPFRTACYQRNAMQ-IUODEOHRSA-N 1 2 274.368 1.941 20 30 CDEDLO C[C@@H]1C[C@@H]1CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000354723238 262284191 /nfs/dbraw/zinc/28/41/91/262284191.db2.gz RHTVIZVGENXARU-ZIAGYGMSSA-N 1 2 279.384 1.107 20 30 CDEDLO C=C(C)CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000338072647 262502875 /nfs/dbraw/zinc/50/28/75/262502875.db2.gz YXVQCSDJTDBWSH-UHFFFAOYSA-N 1 2 274.368 1.485 20 30 CDEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000276267829 263035240 /nfs/dbraw/zinc/03/52/40/263035240.db2.gz CIFHEUKZRVGHQZ-CYBMUJFWSA-N 1 2 287.363 1.842 20 30 CDEDLO N#CC1CCC(CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000282775779 263078758 /nfs/dbraw/zinc/07/87/58/263078758.db2.gz MENHGBRJNNNBJK-AATRIKPKSA-N 1 2 258.325 1.869 20 30 CDEDLO COc1ccc(OCCO[NH+]=C(N)[C@H]2CCCO2)cc1 ZINC000284063703 263085773 /nfs/dbraw/zinc/08/57/73/263085773.db2.gz JTLMDCZHPDKNAI-CYBMUJFWSA-N 1 2 280.324 1.542 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1ccsc1C(=O)OC ZINC000121575813 263295565 /nfs/dbraw/zinc/29/55/65/263295565.db2.gz RAVBTTXEQOTCTQ-UHFFFAOYSA-N 1 2 268.338 1.591 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1ccsc1C(=O)OC ZINC000121575813 263295567 /nfs/dbraw/zinc/29/55/67/263295567.db2.gz RAVBTTXEQOTCTQ-UHFFFAOYSA-N 1 2 268.338 1.591 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000341476816 263341163 /nfs/dbraw/zinc/34/11/63/263341163.db2.gz BRFVLBCJJRWGGJ-LLVKDONJSA-N 1 2 278.308 1.000 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000341476816 263341165 /nfs/dbraw/zinc/34/11/65/263341165.db2.gz BRFVLBCJJRWGGJ-LLVKDONJSA-N 1 2 278.308 1.000 20 30 CDEDLO CCCC[C@@H](C(=O)OC)[NH+]1CCC(C#N)(COC)CC1 ZINC000341982248 263369665 /nfs/dbraw/zinc/36/96/65/263369665.db2.gz DKUCRJNYVMQNSI-ZDUSSCGKSA-N 1 2 282.384 1.970 20 30 CDEDLO C[C@H](NC(=O)[C@H]1CCCC(=O)N1)[C@H](C)[NH+]1CCOCC1 ZINC000328765087 263857983 /nfs/dbraw/zinc/85/79/83/263857983.db2.gz AJDWQUHUYOJVER-SDDRHHMPSA-N 1 2 283.372 1.561 20 30 CDEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@H](C)O1 ZINC000330705464 264019603 /nfs/dbraw/zinc/01/96/03/264019603.db2.gz SDYIIRBRHGKXEP-NHIYQJMISA-N 1 2 295.427 1.929 20 30 CDEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@H](C)O1 ZINC000330705464 264019604 /nfs/dbraw/zinc/01/96/04/264019604.db2.gz SDYIIRBRHGKXEP-NHIYQJMISA-N 1 2 295.427 1.929 20 30 CDEDLO Cc1cc(C(=O)NCC[N@H+]2CCOC[C@H]2C)cc(=O)[nH]1 ZINC000330715984 264022080 /nfs/dbraw/zinc/02/20/80/264022080.db2.gz UCIKMLQLFWFOCL-LLVKDONJSA-N 1 2 279.340 1.121 20 30 CDEDLO Cc1cc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cc(=O)[nH]1 ZINC000330715984 264022082 /nfs/dbraw/zinc/02/20/82/264022082.db2.gz UCIKMLQLFWFOCL-LLVKDONJSA-N 1 2 279.340 1.121 20 30 CDEDLO CCc1cc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cc(=O)[nH]1 ZINC000330748890 264029058 /nfs/dbraw/zinc/02/90/58/264029058.db2.gz VRRCBXPRTPGFGB-LLVKDONJSA-N 1 2 293.367 1.375 20 30 CDEDLO CCc1cc(C(=O)NCC[N@H+]2CCOC[C@H]2C)cc(=O)[nH]1 ZINC000330748890 264029061 /nfs/dbraw/zinc/02/90/61/264029061.db2.gz VRRCBXPRTPGFGB-LLVKDONJSA-N 1 2 293.367 1.375 20 30 CDEDLO CC(C)[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CCO1 ZINC000330750727 264029101 /nfs/dbraw/zinc/02/91/01/264029101.db2.gz WMPXWCHMOZQPOD-ZFWWWQNUSA-N 1 2 281.400 1.398 20 30 CDEDLO CC(C)[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CCO1 ZINC000330750727 264029103 /nfs/dbraw/zinc/02/91/03/264029103.db2.gz WMPXWCHMOZQPOD-ZFWWWQNUSA-N 1 2 281.400 1.398 20 30 CDEDLO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H]2C#N)on1 ZINC000330802164 264042102 /nfs/dbraw/zinc/04/21/02/264042102.db2.gz APVNESQZCVFDRS-GARJFASQSA-N 1 2 262.313 1.592 20 30 CDEDLO CC[N@@H+](CC(=O)N1C[C@@H](C)O[C@@H](C)C1)C[C@@H](C)C#N ZINC000330784348 264052840 /nfs/dbraw/zinc/05/28/40/264052840.db2.gz RSHBFPOOPSCJRR-RWMBFGLXSA-N 1 2 267.373 1.104 20 30 CDEDLO CC[N@H+](CC(=O)N1C[C@@H](C)O[C@@H](C)C1)C[C@@H](C)C#N ZINC000330784348 264052841 /nfs/dbraw/zinc/05/28/41/264052841.db2.gz RSHBFPOOPSCJRR-RWMBFGLXSA-N 1 2 267.373 1.104 20 30 CDEDLO Cc1cncc(C(=O)NCC[N@H+]2CCOC[C@H]2C)c1 ZINC000330906927 264074656 /nfs/dbraw/zinc/07/46/56/264074656.db2.gz BSTKGAIXVVMZQS-GFCCVEGCSA-N 1 2 263.341 1.415 20 30 CDEDLO Cc1cncc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)c1 ZINC000330906927 264074658 /nfs/dbraw/zinc/07/46/58/264074658.db2.gz BSTKGAIXVVMZQS-GFCCVEGCSA-N 1 2 263.341 1.415 20 30 CDEDLO CCc1nc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)co1 ZINC000331073232 264114064 /nfs/dbraw/zinc/11/40/64/264114064.db2.gz UGSAGNDZWBRLDZ-SNVBAGLBSA-N 1 2 267.329 1.262 20 30 CDEDLO CCc1nc(C(=O)NCC[N@H+]2CCOC[C@H]2C)co1 ZINC000331073232 264114066 /nfs/dbraw/zinc/11/40/66/264114066.db2.gz UGSAGNDZWBRLDZ-SNVBAGLBSA-N 1 2 267.329 1.262 20 30 CDEDLO CCc1nc(C)c(NC(=O)NCC[NH+]2CCOCC2)s1 ZINC000331165208 264144239 /nfs/dbraw/zinc/14/42/39/264144239.db2.gz AVFHUNBNKXOWGT-UHFFFAOYSA-N 1 2 298.412 1.672 20 30 CDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1ncc(F)cc1F ZINC000331356239 264207911 /nfs/dbraw/zinc/20/79/11/264207911.db2.gz RRKNSIPEOXEVOV-UHFFFAOYSA-N 1 2 299.321 1.775 20 30 CDEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1nc[nH+]c2c1OCCN2 ZINC000664571879 424299325 /nfs/dbraw/zinc/29/93/25/424299325.db2.gz KOUOTNPTLBAPAV-PHIMTYICSA-N 1 2 258.325 1.968 20 30 CDEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1[nH+]cnc2c1OCCN2 ZINC000664571879 424299333 /nfs/dbraw/zinc/29/93/33/424299333.db2.gz KOUOTNPTLBAPAV-PHIMTYICSA-N 1 2 258.325 1.968 20 30 CDEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CC(OC)C1 ZINC000353055323 266026220 /nfs/dbraw/zinc/02/62/20/266026220.db2.gz ZLJCURGTXRBDNX-AWEZNQCLSA-N 1 2 277.364 1.485 20 30 CDEDLO C=C(C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000356476687 266122275 /nfs/dbraw/zinc/12/22/75/266122275.db2.gz UMQLHSRBVWNREX-ZDUSSCGKSA-N 1 2 252.358 1.322 20 30 CDEDLO C=C(C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000356476687 266122279 /nfs/dbraw/zinc/12/22/79/266122279.db2.gz UMQLHSRBVWNREX-ZDUSSCGKSA-N 1 2 252.358 1.322 20 30 CDEDLO C=CCN(CC=C)C(=O)C[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000363319197 267087940 /nfs/dbraw/zinc/08/79/40/267087940.db2.gz DAQBZDQAORACBV-UHFFFAOYSA-N 1 2 289.383 1.185 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000369232353 267228063 /nfs/dbraw/zinc/22/80/63/267228063.db2.gz VNLTWZYHZGYNCB-QWHCGFSZSA-N 1 2 265.357 1.002 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000369232353 267228064 /nfs/dbraw/zinc/22/80/64/267228064.db2.gz VNLTWZYHZGYNCB-QWHCGFSZSA-N 1 2 265.357 1.002 20 30 CDEDLO C[C@]1(CO)C[N@@H+](Cc2cc(F)ccc2C#N)C[C@@]1(C)CO ZINC000528754169 267904417 /nfs/dbraw/zinc/90/44/17/267904417.db2.gz WPOVABZWKBBYNI-IYBDPMFKSA-N 1 2 292.354 1.510 20 30 CDEDLO C[C@]1(CO)C[N@H+](Cc2cc(F)ccc2C#N)C[C@@]1(C)CO ZINC000528754169 267904418 /nfs/dbraw/zinc/90/44/18/267904418.db2.gz WPOVABZWKBBYNI-IYBDPMFKSA-N 1 2 292.354 1.510 20 30 CDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCCCF)c1=O ZINC000516982221 268180275 /nfs/dbraw/zinc/18/02/75/268180275.db2.gz XUNWIUFRNPOVTC-UHFFFAOYSA-N 1 2 293.342 1.302 20 30 CDEDLO CCN1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H](C)C1=O ZINC000336108711 276385194 /nfs/dbraw/zinc/38/51/94/276385194.db2.gz IQNLRHACUOJYQZ-LBPRGKRZSA-N 1 2 257.337 1.611 20 30 CDEDLO CCN1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H](C)C1=O ZINC000336108711 276385195 /nfs/dbraw/zinc/38/51/95/276385195.db2.gz IQNLRHACUOJYQZ-LBPRGKRZSA-N 1 2 257.337 1.611 20 30 CDEDLO CC[C@@H](NC(=O)c1ccc(C#N)cn1)c1[nH]cc[nH+]1 ZINC000139660080 279860371 /nfs/dbraw/zinc/86/03/71/279860371.db2.gz PIRBNBWWLDJQPO-SNVBAGLBSA-N 1 2 255.281 1.557 20 30 CDEDLO C[C@H]([C@H](C)[N@H+](C)Cc1cccc(C#N)c1F)S(C)(=O)=O ZINC000352859453 290201026 /nfs/dbraw/zinc/20/10/26/290201026.db2.gz RYQMXQRYRLGSLR-WDEREUQCSA-N 1 2 298.383 1.951 20 30 CDEDLO C[C@H]([C@H](C)[N@@H+](C)Cc1cccc(C#N)c1F)S(C)(=O)=O ZINC000352859453 290201029 /nfs/dbraw/zinc/20/10/29/290201029.db2.gz RYQMXQRYRLGSLR-WDEREUQCSA-N 1 2 298.383 1.951 20 30 CDEDLO Cc1csc(NC(=O)N2CC[NH+](CCO)CC2)c1C#N ZINC000559642301 290456862 /nfs/dbraw/zinc/45/68/62/290456862.db2.gz UYVQDVRWYVRMJR-UHFFFAOYSA-N 1 2 294.380 1.070 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)C[C@H](C)O1 ZINC000563149154 293290725 /nfs/dbraw/zinc/29/07/25/293290725.db2.gz GYVOPLJSMDRRJX-PHIMTYICSA-N 1 2 271.324 1.210 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)C[C@H](C)O1 ZINC000563149154 293290726 /nfs/dbraw/zinc/29/07/26/293290726.db2.gz GYVOPLJSMDRRJX-PHIMTYICSA-N 1 2 271.324 1.210 20 30 CDEDLO N#Cc1cnc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)nc1 ZINC000564552872 293370881 /nfs/dbraw/zinc/37/08/81/293370881.db2.gz QHGBYMFOWLBOSA-AWEZNQCLSA-N 1 2 272.352 1.739 20 30 CDEDLO N#Cc1cnc(C[N@H+]2CCC[C@H](OCC3CC3)C2)nc1 ZINC000564552872 293370882 /nfs/dbraw/zinc/37/08/82/293370882.db2.gz QHGBYMFOWLBOSA-AWEZNQCLSA-N 1 2 272.352 1.739 20 30 CDEDLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccnc(C#N)c2)[nH+]1 ZINC000568772463 294100306 /nfs/dbraw/zinc/10/03/06/294100306.db2.gz TVFOZXKYRAEUNW-UHFFFAOYSA-N 1 2 269.308 1.650 20 30 CDEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cccc2c1OCCO2 ZINC000330313267 295385826 /nfs/dbraw/zinc/38/58/26/295385826.db2.gz OSAXFDDTAWLGFR-LLVKDONJSA-N 1 2 299.330 1.974 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1ccc(F)cc1 ZINC000574925287 327641441 /nfs/dbraw/zinc/64/14/41/327641441.db2.gz WOVCYCBCTZSYJD-CYBMUJFWSA-N 1 2 263.316 1.724 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000412354583 328109223 /nfs/dbraw/zinc/10/92/23/328109223.db2.gz KBGDHYHZRPQWNY-LBPRGKRZSA-N 1 2 282.384 1.200 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000412354583 328109224 /nfs/dbraw/zinc/10/92/24/328109224.db2.gz KBGDHYHZRPQWNY-LBPRGKRZSA-N 1 2 282.384 1.200 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCc2occc2C1)C1CC1 ZINC000288764074 328253667 /nfs/dbraw/zinc/25/36/67/328253667.db2.gz JCJAJTOEZSXKQC-INIZCTEOSA-N 1 2 287.363 1.836 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCc2occc2C1)C1CC1 ZINC000288764074 328253668 /nfs/dbraw/zinc/25/36/68/328253668.db2.gz JCJAJTOEZSXKQC-INIZCTEOSA-N 1 2 287.363 1.836 20 30 CDEDLO CC(C)[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)c1[nH]cc[nH+]1 ZINC000295999047 328288634 /nfs/dbraw/zinc/28/86/34/328288634.db2.gz MAIWRPPXMZSGPS-GHMZBOCLSA-N 1 2 299.400 1.033 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1ccccc1SCC(N)=O ZINC000121479588 328375269 /nfs/dbraw/zinc/37/52/69/328375269.db2.gz DQMMPDYTKMWQTO-UHFFFAOYSA-N 1 2 293.392 1.320 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1ccccc1SCC(N)=O ZINC000121479588 328375271 /nfs/dbraw/zinc/37/52/71/328375271.db2.gz DQMMPDYTKMWQTO-UHFFFAOYSA-N 1 2 293.392 1.320 20 30 CDEDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cn2)CC1 ZINC000583212886 325130310 /nfs/dbraw/zinc/13/03/10/325130310.db2.gz WQEAUFVQNCPCHY-AWEZNQCLSA-N 1 2 293.392 1.352 20 30 CDEDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)CC1 ZINC000583212886 325130315 /nfs/dbraw/zinc/13/03/15/325130315.db2.gz WQEAUFVQNCPCHY-AWEZNQCLSA-N 1 2 293.392 1.352 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000584180838 327060554 /nfs/dbraw/zinc/06/05/54/327060554.db2.gz GCGAOTRRZPLUGT-HUUCEWRRSA-N 1 2 276.384 1.227 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000584180838 327060556 /nfs/dbraw/zinc/06/05/56/327060556.db2.gz GCGAOTRRZPLUGT-HUUCEWRRSA-N 1 2 276.384 1.227 20 30 CDEDLO CCc1cncc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000572606078 327570631 /nfs/dbraw/zinc/57/06/31/327570631.db2.gz DCDNQWFKECNFMW-AWEZNQCLSA-N 1 2 260.341 1.218 20 30 CDEDLO CC#CCCCC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000375122020 329000958 /nfs/dbraw/zinc/00/09/58/329000958.db2.gz XZBIAXHFTMLMFY-ZDUSSCGKSA-N 1 2 259.353 1.930 20 30 CDEDLO C#CCCCNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000377869197 329032591 /nfs/dbraw/zinc/03/25/91/329032591.db2.gz BPLWDDKSEOYOCG-CQSZACIVSA-N 1 2 271.364 1.828 20 30 CDEDLO C[C@H](CC#N)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000188995695 329374461 /nfs/dbraw/zinc/37/44/61/329374461.db2.gz NWTDZVMDCFUUIA-DGCLKSJQSA-N 1 2 265.357 1.048 20 30 CDEDLO C[C@H](CC#N)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000188995695 329374462 /nfs/dbraw/zinc/37/44/62/329374462.db2.gz NWTDZVMDCFUUIA-DGCLKSJQSA-N 1 2 265.357 1.048 20 30 CDEDLO C[C@@H](CC#N)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000188995671 329374518 /nfs/dbraw/zinc/37/45/18/329374518.db2.gz NWTDZVMDCFUUIA-WCQYABFASA-N 1 2 265.357 1.048 20 30 CDEDLO C[C@@H](CC#N)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000188995671 329374520 /nfs/dbraw/zinc/37/45/20/329374520.db2.gz NWTDZVMDCFUUIA-WCQYABFASA-N 1 2 265.357 1.048 20 30 CDEDLO C=CCN(CC=C)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000195039014 329690281 /nfs/dbraw/zinc/69/02/81/329690281.db2.gz GVEJSMSCPNYLRR-UHFFFAOYSA-N 1 2 275.308 1.229 20 30 CDEDLO C=CCn1cc(CN[C@H](CC)c2[nH+]ccn2C)nn1 ZINC000424297691 330336523 /nfs/dbraw/zinc/33/65/23/330336523.db2.gz RBLBQPMSXTZZIE-GFCCVEGCSA-N 1 2 260.345 1.439 20 30 CDEDLO N#CC1(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)CC1 ZINC000537247441 330430444 /nfs/dbraw/zinc/43/04/44/330430444.db2.gz CKEZLRSCHXJWHR-SNVBAGLBSA-N 1 2 262.275 1.925 20 30 CDEDLO C=CCNC(=O)C[N@@H+](CCO)Cc1cccc(OCC)c1 ZINC000452046554 331051961 /nfs/dbraw/zinc/05/19/61/331051961.db2.gz LADPYFKZAXAYJB-UHFFFAOYSA-N 1 2 292.379 1.182 20 30 CDEDLO C=CCNC(=O)C[N@H+](CCO)Cc1cccc(OCC)c1 ZINC000452046554 331051962 /nfs/dbraw/zinc/05/19/62/331051962.db2.gz LADPYFKZAXAYJB-UHFFFAOYSA-N 1 2 292.379 1.182 20 30 CDEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CC(OCC)C1 ZINC000453022703 331083914 /nfs/dbraw/zinc/08/39/14/331083914.db2.gz QTUKFIDKGIANSH-OAHLLOKOSA-N 1 2 291.391 1.876 20 30 CDEDLO C=C(CC)CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000455560892 331173085 /nfs/dbraw/zinc/17/30/85/331173085.db2.gz PYOJITZWKWEDDU-UHFFFAOYSA-N 1 2 288.395 1.875 20 30 CDEDLO C=CCCCS(=O)(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000489131910 332042251 /nfs/dbraw/zinc/04/22/51/332042251.db2.gz QLLXHPWZUUIFNG-UHFFFAOYSA-N 1 2 297.424 1.648 20 30 CDEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)NCC(F)(F)F ZINC000489489016 332056028 /nfs/dbraw/zinc/05/60/28/332056028.db2.gz XALIAQZIKZVUAZ-VIFPVBQESA-N 1 2 250.264 1.705 20 30 CDEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)NCC(F)(F)F ZINC000489489016 332056029 /nfs/dbraw/zinc/05/60/29/332056029.db2.gz XALIAQZIKZVUAZ-VIFPVBQESA-N 1 2 250.264 1.705 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)c1[nH]c(C)c(C(=O)OCC)c1C ZINC000490839684 332119310 /nfs/dbraw/zinc/11/93/10/332119310.db2.gz JIJQPYCYIFWVBX-UHFFFAOYSA-N 1 2 290.363 1.946 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)c1[nH]c(C)c(C(=O)OCC)c1C ZINC000490839684 332119311 /nfs/dbraw/zinc/11/93/11/332119311.db2.gz JIJQPYCYIFWVBX-UHFFFAOYSA-N 1 2 290.363 1.946 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@@H](NC(=O)OC(C)(C)C)CC1=O ZINC000491252938 332174829 /nfs/dbraw/zinc/17/48/29/332174829.db2.gz KPZCCSTYFUAQKV-NEPJUHHUSA-N 1 2 295.383 1.023 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@@H](NC(=O)OC(C)(C)C)CC1=O ZINC000491252938 332174831 /nfs/dbraw/zinc/17/48/31/332174831.db2.gz KPZCCSTYFUAQKV-NEPJUHHUSA-N 1 2 295.383 1.023 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000491264279 332176456 /nfs/dbraw/zinc/17/64/56/332176456.db2.gz FQHCIRCWFKYNEI-KBPBESRZSA-N 1 2 286.350 1.960 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccncc2C)n1 ZINC000491294899 332183393 /nfs/dbraw/zinc/18/33/93/332183393.db2.gz DXLMJVGVYFQKQF-UHFFFAOYSA-N 1 2 298.390 1.868 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccncc2C)n1 ZINC000491294899 332183395 /nfs/dbraw/zinc/18/33/95/332183395.db2.gz DXLMJVGVYFQKQF-UHFFFAOYSA-N 1 2 298.390 1.868 20 30 CDEDLO C#C[C@@H]1COCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000491297920 332184548 /nfs/dbraw/zinc/18/45/48/332184548.db2.gz SKWMWCJHVZGGJP-CQSZACIVSA-N 1 2 281.315 1.347 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@H](Cc1ccccc1)OC ZINC000491371550 332198807 /nfs/dbraw/zinc/19/88/07/332198807.db2.gz FLIPZPDYDAFTJS-HOTGVXAUSA-N 1 2 259.349 1.578 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](Cc1ccccc1)OC ZINC000491371550 332198808 /nfs/dbraw/zinc/19/88/08/332198808.db2.gz FLIPZPDYDAFTJS-HOTGVXAUSA-N 1 2 259.349 1.578 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000491392198 332202823 /nfs/dbraw/zinc/20/28/23/332202823.db2.gz ATADOUAGKGYJEK-NSHDSACASA-N 1 2 256.309 1.497 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCc1ccc2c(c1)CCO2 ZINC000491535983 332231524 /nfs/dbraw/zinc/23/15/24/332231524.db2.gz GSDFMCRAHAPMSM-OAHLLOKOSA-N 1 2 257.333 1.498 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCc1ccc2c(c1)CCO2 ZINC000491535983 332231525 /nfs/dbraw/zinc/23/15/25/332231525.db2.gz GSDFMCRAHAPMSM-OAHLLOKOSA-N 1 2 257.333 1.498 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCCO[C@@H]1CCCC[C@@H]1C)C1CC1 ZINC000491536947 332232418 /nfs/dbraw/zinc/23/24/18/332232418.db2.gz NEORLKOCKURFIT-GOEBONIOSA-N 1 2 292.423 1.796 20 30 CDEDLO C#CC[N@H+](CC(=O)NCCO[C@@H]1CCCC[C@@H]1C)C1CC1 ZINC000491536947 332232419 /nfs/dbraw/zinc/23/24/19/332232419.db2.gz NEORLKOCKURFIT-GOEBONIOSA-N 1 2 292.423 1.796 20 30 CDEDLO C#C[C@@H]1COCCN1Cc1cn2c(cccc2C)[nH+]1 ZINC000491633317 332255123 /nfs/dbraw/zinc/25/51/23/332255123.db2.gz PUGVGKBVCYFZFL-CQSZACIVSA-N 1 2 255.321 1.477 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccoc3)n2C(C)C)CC1 ZINC000491642171 332261385 /nfs/dbraw/zinc/26/13/85/332261385.db2.gz WAJPNDJZQOOTGG-UHFFFAOYSA-N 1 2 299.378 1.874 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000491652457 332265158 /nfs/dbraw/zinc/26/51/58/332265158.db2.gz AJYRHESQLRJHHZ-LBPRGKRZSA-N 1 2 299.374 1.471 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000491652457 332265159 /nfs/dbraw/zinc/26/51/59/332265159.db2.gz AJYRHESQLRJHHZ-LBPRGKRZSA-N 1 2 299.374 1.471 20 30 CDEDLO C#C[C@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000491662161 332271742 /nfs/dbraw/zinc/27/17/42/332271742.db2.gz LOSXPCLRKXRREJ-NEPJUHHUSA-N 1 2 274.368 1.545 20 30 CDEDLO C#C[C@@H](CC)NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000491707672 332300290 /nfs/dbraw/zinc/30/02/90/332300290.db2.gz SHZWMZJLEWBYSW-OLZOCXBDSA-N 1 2 274.368 1.780 20 30 CDEDLO Cc1ccc(/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C)nc1 ZINC000493217090 332430874 /nfs/dbraw/zinc/43/08/74/332430874.db2.gz CKAXHPVUQNJKTF-LZNQSLFOSA-N 1 2 272.352 1.363 20 30 CDEDLO C#CC[NH+](CC#C)CCOc1ccccc1C(C)=O ZINC000174530682 333001331 /nfs/dbraw/zinc/00/13/31/333001331.db2.gz UTJWCSKRIHFNSB-UHFFFAOYSA-N 1 2 255.317 1.836 20 30 CDEDLO CO[C@H](Cc1ccccc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000521882344 333195514 /nfs/dbraw/zinc/19/55/14/333195514.db2.gz FOWCXSCABKMPLV-GDBMZVCRSA-N 1 2 289.379 1.204 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000192223576 333232781 /nfs/dbraw/zinc/23/27/81/333232781.db2.gz QPTJMHNIVOHBOL-ZDUSSCGKSA-N 1 2 299.374 1.705 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000192223576 333232783 /nfs/dbraw/zinc/23/27/83/333232783.db2.gz QPTJMHNIVOHBOL-ZDUSSCGKSA-N 1 2 299.374 1.705 20 30 CDEDLO CC(C)CCN(CCC#N)CCC[NH+]1CCOCC1 ZINC000173544778 335136220 /nfs/dbraw/zinc/13/62/20/335136220.db2.gz WVMXVTPXJLMYFJ-UHFFFAOYSA-N 1 2 267.417 1.970 20 30 CDEDLO Cc1n[nH]c(C)c1NC(=O)C[NH+]1CCC(CC#N)CC1 ZINC000541023033 333759645 /nfs/dbraw/zinc/75/96/45/333759645.db2.gz QJJMVDCIPNFEHJ-UHFFFAOYSA-N 1 2 275.356 1.591 20 30 CDEDLO Cc1cccn2cc(CC(=O)N[C@@H](C#N)C(C)C)[nH+]c12 ZINC000545238008 333972554 /nfs/dbraw/zinc/97/25/54/333972554.db2.gz MGZQXSGMQVAHJZ-ZDUSSCGKSA-N 1 2 270.336 1.850 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1noc2c1CCCC2 ZINC000576231063 335174800 /nfs/dbraw/zinc/17/48/00/335174800.db2.gz YLBHPTJSQQSEMP-CQSZACIVSA-N 1 2 276.340 1.127 20 30 CDEDLO C=CC1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000547630324 334104303 /nfs/dbraw/zinc/10/43/03/334104303.db2.gz PFGWSFPKFASGBD-CYBMUJFWSA-N 1 2 274.368 1.806 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000251883015 334371443 /nfs/dbraw/zinc/37/14/43/334371443.db2.gz PUIJTCXDKHFQRX-SOUVJXGZSA-N 1 2 298.427 1.535 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000251883015 334371444 /nfs/dbraw/zinc/37/14/44/334371444.db2.gz PUIJTCXDKHFQRX-SOUVJXGZSA-N 1 2 298.427 1.535 20 30 CDEDLO C[C@@H]1CCc2onc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c2C1 ZINC000566309727 334642088 /nfs/dbraw/zinc/64/20/88/334642088.db2.gz SDJSZDPISZSOSY-MEBBXXQBSA-N 1 2 290.367 1.373 20 30 CDEDLO CCCCO[C@@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000567816935 334763842 /nfs/dbraw/zinc/76/38/42/334763842.db2.gz JQAXORRYYUGEBK-AAEUAGOBSA-N 1 2 255.362 1.152 20 30 CDEDLO C=CCC(C)(C)C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N ZINC000568473226 334826316 /nfs/dbraw/zinc/82/63/16/334826316.db2.gz GWEDTKJKEWEIOJ-UHFFFAOYSA-N 1 2 289.383 1.396 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2CC2(C#N)CCC2)O1 ZINC000577459734 335354566 /nfs/dbraw/zinc/35/45/66/335354566.db2.gz XLCWLDTUYVNCPW-DGAVXFQQSA-N 1 2 292.379 1.864 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2CC2(C#N)CCC2)O1 ZINC000577459734 335354567 /nfs/dbraw/zinc/35/45/67/335354567.db2.gz XLCWLDTUYVNCPW-DGAVXFQQSA-N 1 2 292.379 1.864 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000181117642 335750946 /nfs/dbraw/zinc/75/09/46/335750946.db2.gz XXHCDOJVRZUEBJ-AWEZNQCLSA-N 1 2 283.416 1.705 20 30 CDEDLO Cn1ccnc1[C@@H]([NH2+]C[C@H](C#N)CCC#N)C1CC1 ZINC000581126885 336011794 /nfs/dbraw/zinc/01/17/94/336011794.db2.gz HHVIGPKVKZYKBG-AAEUAGOBSA-N 1 2 257.341 1.904 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(Cl)c2)CC1 ZINC000383977156 336120708 /nfs/dbraw/zinc/12/07/08/336120708.db2.gz RLOFZDMXPQROBB-UHFFFAOYSA-N 1 2 292.766 1.496 20 30 CDEDLO Cc1cc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)n(CCC#N)n1 ZINC000581705117 336131401 /nfs/dbraw/zinc/13/14/01/336131401.db2.gz DYOUQOGGPKQUGJ-GFCCVEGCSA-N 1 2 298.350 1.503 20 30 CDEDLO Cc1cc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)n(CCC#N)n1 ZINC000581734264 336139822 /nfs/dbraw/zinc/13/98/22/336139822.db2.gz GEZOAAXZMOAVHK-JTQLQIEISA-N 1 2 286.339 1.646 20 30 CDEDLO Cc1cc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)n(CCC#N)n1 ZINC000581734264 336139823 /nfs/dbraw/zinc/13/98/23/336139823.db2.gz GEZOAAXZMOAVHK-JTQLQIEISA-N 1 2 286.339 1.646 20 30 CDEDLO C=CCCCNC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657911592 482931374 /nfs/dbraw/zinc/93/13/74/482931374.db2.gz IBUVBEBQRJLZDH-UHFFFAOYSA-N 1 2 286.335 1.664 20 30 CDEDLO C[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000110751845 1161378242 /nfs/dbraw/zinc/37/82/42/1161378242.db2.gz WWUYFLKVBPOOQG-GFCCVEGCSA-N 1 2 293.392 1.024 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cccnc2F)C1=O ZINC001273401601 1161961035 /nfs/dbraw/zinc/96/10/35/1161961035.db2.gz ZPVFTQRZYBZOTH-MRXNPFEDSA-N 1 2 287.338 1.421 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cccnc2F)C1=O ZINC001273401601 1161961040 /nfs/dbraw/zinc/96/10/40/1161961040.db2.gz ZPVFTQRZYBZOTH-MRXNPFEDSA-N 1 2 287.338 1.421 20 30 CDEDLO COc1ccccc1NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329970038 534163023 /nfs/dbraw/zinc/16/30/23/534163023.db2.gz XSSPUHGNLNHVPA-JSGCOSHPSA-N 1 2 291.351 1.256 20 30 CDEDLO COc1ccccc1NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329970038 534163033 /nfs/dbraw/zinc/16/30/33/534163033.db2.gz XSSPUHGNLNHVPA-JSGCOSHPSA-N 1 2 291.351 1.256 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CC(C)(C)COC)CC1 ZINC001113144357 1162114541 /nfs/dbraw/zinc/11/45/41/1162114541.db2.gz HTAZFYIJQIHQKS-UHFFFAOYSA-N 1 2 266.385 1.217 20 30 CDEDLO N#C[C@@H]1CSCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000336140532 534738334 /nfs/dbraw/zinc/73/83/34/534738334.db2.gz FXNVMIREAGXEFP-CQSZACIVSA-N 1 2 298.371 1.953 20 30 CDEDLO C=CCCN(C)c1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000277316502 534772573 /nfs/dbraw/zinc/77/25/73/534772573.db2.gz CXKJALCFQHPXKW-ZDUSSCGKSA-N 1 2 276.384 1.840 20 30 CDEDLO C=CCCN(C)c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000277316502 534772580 /nfs/dbraw/zinc/77/25/80/534772580.db2.gz CXKJALCFQHPXKW-ZDUSSCGKSA-N 1 2 276.384 1.840 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NC2CCC2)CCO1 ZINC000330330748 534814446 /nfs/dbraw/zinc/81/44/46/534814446.db2.gz NNRKKGIYXQYRFX-YPMHNXCESA-N 1 2 278.356 1.696 20 30 CDEDLO C[C@@H]([NH2+]Cc1nccc(N)n1)c1ccc(C#N)cc1 ZINC000338391572 525561592 /nfs/dbraw/zinc/56/15/92/525561592.db2.gz WJIZKIDAMDPJPM-SNVBAGLBSA-N 1 2 253.309 1.612 20 30 CDEDLO C=C(C)C[N@@H+](CC(=O)N(C)C1CC1)Cc1ccc(CO)o1 ZINC000352803041 526508656 /nfs/dbraw/zinc/50/86/56/526508656.db2.gz NMVRXZYUQMIWOT-UHFFFAOYSA-N 1 2 292.379 1.771 20 30 CDEDLO C=C(C)C[N@H+](CC(=O)N(C)C1CC1)Cc1ccc(CO)o1 ZINC000352803041 526508660 /nfs/dbraw/zinc/50/86/60/526508660.db2.gz NMVRXZYUQMIWOT-UHFFFAOYSA-N 1 2 292.379 1.771 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000364912633 526641900 /nfs/dbraw/zinc/64/19/00/526641900.db2.gz CGGARDMAPAHBKZ-CQDKDKBSSA-N 1 2 287.338 1.783 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000364912633 526641903 /nfs/dbraw/zinc/64/19/03/526641903.db2.gz CGGARDMAPAHBKZ-CQDKDKBSSA-N 1 2 287.338 1.783 20 30 CDEDLO C=CC[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000353799569 527136021 /nfs/dbraw/zinc/13/60/21/527136021.db2.gz PQXQALXYDHWZMH-JSGCOSHPSA-N 1 2 266.385 1.711 20 30 CDEDLO C=CC[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000353799569 527136026 /nfs/dbraw/zinc/13/60/26/527136026.db2.gz PQXQALXYDHWZMH-JSGCOSHPSA-N 1 2 266.385 1.711 20 30 CDEDLO CC(C)C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC000157340637 527497925 /nfs/dbraw/zinc/49/79/25/527497925.db2.gz SSIHARPBJLVDOX-UHFFFAOYSA-N 1 2 259.353 1.762 20 30 CDEDLO CC(C)C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC000157340637 527497928 /nfs/dbraw/zinc/49/79/28/527497928.db2.gz SSIHARPBJLVDOX-UHFFFAOYSA-N 1 2 259.353 1.762 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000111274087 527614628 /nfs/dbraw/zinc/61/46/28/527614628.db2.gz RCMUAXBANZZUNS-UONOGXRCSA-N 1 2 266.385 1.686 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000111274087 527614634 /nfs/dbraw/zinc/61/46/34/527614634.db2.gz RCMUAXBANZZUNS-UONOGXRCSA-N 1 2 266.385 1.686 20 30 CDEDLO CCC[N@H+](CC1(C#N)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000331557600 528014799 /nfs/dbraw/zinc/01/47/99/528014799.db2.gz WRGNFKWWVHOYRY-LLVKDONJSA-N 1 2 256.371 1.189 20 30 CDEDLO CCC[N@@H+](CC1(C#N)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000331557600 528014806 /nfs/dbraw/zinc/01/48/06/528014806.db2.gz WRGNFKWWVHOYRY-LLVKDONJSA-N 1 2 256.371 1.189 20 30 CDEDLO CC[C@@H]1CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCS1 ZINC000330178695 529346377 /nfs/dbraw/zinc/34/63/77/529346377.db2.gz DXJRDUSYYADNPJ-NWDGAFQWSA-N 1 2 294.424 1.939 20 30 CDEDLO COC(=O)C[N@H+](Cc1ccc(C#N)cc1OC)C(C)C ZINC000121333996 536465967 /nfs/dbraw/zinc/46/59/67/536465967.db2.gz DDDPXDCSYDVPLP-UHFFFAOYSA-N 1 2 276.336 1.950 20 30 CDEDLO COC(=O)C[N@@H+](Cc1ccc(C#N)cc1OC)C(C)C ZINC000121333996 536465971 /nfs/dbraw/zinc/46/59/71/536465971.db2.gz DDDPXDCSYDVPLP-UHFFFAOYSA-N 1 2 276.336 1.950 20 30 CDEDLO CC1(C)C[N@H+](CC(=O)NC(=O)NC2CC2)[C@@H]1[C@@H]1CCCO1 ZINC000329853556 538704857 /nfs/dbraw/zinc/70/48/57/538704857.db2.gz SCQJHYFIYARKSE-WCQYABFASA-N 1 2 295.383 1.909 20 30 CDEDLO CC1(C)C[N@@H+](CC(=O)NC(=O)NC2CC2)[C@@H]1[C@@H]1CCCO1 ZINC000329853556 538704865 /nfs/dbraw/zinc/70/48/65/538704865.db2.gz SCQJHYFIYARKSE-WCQYABFASA-N 1 2 295.383 1.909 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CCC[C@H]2CC)c1=S ZINC000727824299 574600138 /nfs/dbraw/zinc/60/01/38/574600138.db2.gz ISCPPYSVPCAHEL-SNVBAGLBSA-N 1 2 253.375 1.827 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CCC[C@H]2CC)c1=S ZINC000727824299 574600139 /nfs/dbraw/zinc/60/01/39/574600139.db2.gz ISCPPYSVPCAHEL-SNVBAGLBSA-N 1 2 253.375 1.827 20 30 CDEDLO C#Cc1ccc(C(=O)Nc2ccc[nH+]c2N(C)C)nc1 ZINC000728811717 574649561 /nfs/dbraw/zinc/64/95/61/574649561.db2.gz HAJJRHXPOFGHKN-UHFFFAOYSA-N 1 2 266.304 1.776 20 30 CDEDLO C#Cc1ccc(C(=O)NCc2cn3cc(C)ccc3[nH+]2)nc1 ZINC000728861375 574662378 /nfs/dbraw/zinc/66/23/78/574662378.db2.gz OMLIAPXIVDINJL-UHFFFAOYSA-N 1 2 290.326 1.949 20 30 CDEDLO CCOC(=O)[C@H](C)[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000763541622 575034509 /nfs/dbraw/zinc/03/45/09/575034509.db2.gz HEIHBRDUDWBOFZ-FZMZJTMJSA-N 1 2 276.336 1.475 20 30 CDEDLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000763541622 575034510 /nfs/dbraw/zinc/03/45/10/575034510.db2.gz HEIHBRDUDWBOFZ-FZMZJTMJSA-N 1 2 276.336 1.475 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2ncon2)cc1 ZINC000732067475 575077866 /nfs/dbraw/zinc/07/78/66/575077866.db2.gz LEEJLGVHRVFOJV-AWEZNQCLSA-N 1 2 296.330 1.773 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2ncon2)cc1 ZINC000732067475 575077868 /nfs/dbraw/zinc/07/78/68/575077868.db2.gz LEEJLGVHRVFOJV-AWEZNQCLSA-N 1 2 296.330 1.773 20 30 CDEDLO N#CCCN1CC[NH+](C[C@H](O)c2c(F)cccc2F)CC1 ZINC000760942754 576527616 /nfs/dbraw/zinc/52/76/16/576527616.db2.gz DWHHWIWOXKWKDJ-AWEZNQCLSA-N 1 2 295.333 1.529 20 30 CDEDLO C[C@H]1CN(c2ccccc2C=[NH+]N2CCCC2=O)CCO1 ZINC000769589625 575362531 /nfs/dbraw/zinc/36/25/31/575362531.db2.gz QWDTUZLNTOLFAL-ZDUSSCGKSA-N 1 2 287.363 1.868 20 30 CDEDLO C[S@](=O)CC[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000771142864 575552712 /nfs/dbraw/zinc/55/27/12/575552712.db2.gz BRQVUYBBAQUMMF-FQEVSTJZSA-N 1 2 295.383 1.198 20 30 CDEDLO C=CCNc1ncc(C(=O)OCCn2cc[nH+]c2)s1 ZINC000772017319 575649667 /nfs/dbraw/zinc/64/96/67/575649667.db2.gz FDPIRVAPAMZUHE-UHFFFAOYSA-N 1 2 278.337 1.795 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)O[C@@H]2Cc3ccccc3C2=O)CC1 ZINC000772113357 575661762 /nfs/dbraw/zinc/66/17/62/575661762.db2.gz MRYCVJPQJXKVHL-MRXNPFEDSA-N 1 2 297.354 1.682 20 30 CDEDLO C#C[C@H](Nc1cc(-n2cc[nH+]c2)ncn1)[C@H]1CCCO1 ZINC000772255805 575676970 /nfs/dbraw/zinc/67/69/70/575676970.db2.gz LEVLWPSLOGZTDA-NWDGAFQWSA-N 1 2 269.308 1.255 20 30 CDEDLO COc1ccccc1[C@H](NC(=O)[C@H](C)C#N)c1[nH+]ccn1C ZINC000736668941 575713256 /nfs/dbraw/zinc/71/32/56/575713256.db2.gz MHWYARURYFOAQY-RISCZKNCSA-N 1 2 298.346 1.794 20 30 CDEDLO C[N@H+](CC(=O)[C@H](C#N)c1ccncn1)[C@H]1CCSC1 ZINC000774413692 575945027 /nfs/dbraw/zinc/94/50/27/575945027.db2.gz FCPFBGYUQOVQBY-WDEREUQCSA-N 1 2 276.365 1.090 20 30 CDEDLO C[N@@H+](CC(=O)[C@H](C#N)c1ccncn1)[C@H]1CCSC1 ZINC000774413692 575945029 /nfs/dbraw/zinc/94/50/29/575945029.db2.gz FCPFBGYUQOVQBY-WDEREUQCSA-N 1 2 276.365 1.090 20 30 CDEDLO C#CCCCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000766900573 576144066 /nfs/dbraw/zinc/14/40/66/576144066.db2.gz MTXGBWTWLVNQEF-INIZCTEOSA-N 1 2 287.359 1.844 20 30 CDEDLO C#CCCCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000766900573 576144068 /nfs/dbraw/zinc/14/40/68/576144068.db2.gz MTXGBWTWLVNQEF-INIZCTEOSA-N 1 2 287.359 1.844 20 30 CDEDLO Cc1cc(CO[NH+]=C(N)c2ccc(F)cc2)nn1C ZINC000767824953 576232261 /nfs/dbraw/zinc/23/22/61/576232261.db2.gz QUTHSMLCERLDIT-UHFFFAOYSA-N 1 2 262.288 1.705 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)nc1 ZINC000768143447 576260746 /nfs/dbraw/zinc/26/07/46/576260746.db2.gz XZECHHJQLTUUDL-CQSZACIVSA-N 1 2 294.358 1.816 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CCc2c(Cl)cccc2C1 ZINC000739913440 576397341 /nfs/dbraw/zinc/39/73/41/576397341.db2.gz IJVNQABWDKFONP-UHFFFAOYSA-N 1 2 262.740 1.448 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000739913440 576397344 /nfs/dbraw/zinc/39/73/44/576397344.db2.gz IJVNQABWDKFONP-UHFFFAOYSA-N 1 2 262.740 1.448 20 30 CDEDLO N#C[C@@H](C(=O)Cc1cn2ccccc2[nH+]1)c1ccncn1 ZINC000760347273 576478978 /nfs/dbraw/zinc/47/89/78/576478978.db2.gz VAXVLMQWVPYNHT-GFCCVEGCSA-N 1 2 277.287 1.543 20 30 CDEDLO C#CCC[NH2+]C1(C(=O)OCC)Cc2ccccc2C1 ZINC000760863319 576518100 /nfs/dbraw/zinc/51/81/00/576518100.db2.gz SPBUABLFXZKFAV-UHFFFAOYSA-N 1 2 257.333 1.700 20 30 CDEDLO C#CCOCCc1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000761444712 576576798 /nfs/dbraw/zinc/57/67/98/576576798.db2.gz NKHYUGLFZFULDU-UHFFFAOYSA-N 1 2 282.303 1.500 20 30 CDEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)c1ccccn1 ZINC000761829924 576595879 /nfs/dbraw/zinc/59/58/79/576595879.db2.gz DALCPPOHXVVMQT-UHFFFAOYSA-N 1 2 279.307 1.893 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccccc2F)CC1 ZINC000744422482 576680081 /nfs/dbraw/zinc/68/00/81/576680081.db2.gz XBNRCISIQYKIGX-CYBMUJFWSA-N 1 2 290.338 1.370 20 30 CDEDLO Cn1c[nH+]cc1C=NN1C(=S)N=NC1C(C)(C)C ZINC000755519612 576947639 /nfs/dbraw/zinc/94/76/39/576947639.db2.gz XYOJOSYODVYBOR-UHFFFAOYSA-N 1 2 264.358 1.480 20 30 CDEDLO Cc1[nH]c[nH+]c1C=NNC(=S)NCCc1cccs1 ZINC000755629546 576952850 /nfs/dbraw/zinc/95/28/50/576952850.db2.gz XHCBRJWSSLTWGD-UHFFFAOYSA-N 1 2 293.421 1.820 20 30 CDEDLO Cc1[nH]c[nH+]c1C=NNC(=S)NCC(F)(F)F ZINC000755675513 576954859 /nfs/dbraw/zinc/95/48/59/576954859.db2.gz YPQVASGSONTGGP-UHFFFAOYSA-N 1 2 265.264 1.078 20 30 CDEDLO Cc1cccc2[nH+]cc(CN=Nc3nccn(C)c3=O)n21 ZINC000755756575 576959202 /nfs/dbraw/zinc/95/92/02/576959202.db2.gz XANWJMCWQADXOZ-UHFFFAOYSA-N 1 2 282.307 1.182 20 30 CDEDLO Cn1c[nH+]cc1CON=CC(=O)Nc1ccc(F)cc1F ZINC000753117058 577146848 /nfs/dbraw/zinc/14/68/48/577146848.db2.gz FXSINUKMXCSKLX-UHFFFAOYSA-N 1 2 294.261 1.839 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCc2cncn2C)ccc1F ZINC000753118998 577147253 /nfs/dbraw/zinc/14/72/53/577147253.db2.gz WHSQMZRXVPVEAG-UHFFFAOYSA-N 1 2 262.288 1.705 20 30 CDEDLO C=CC[C@H]1CCN1C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000890552600 617205890 /nfs/dbraw/zinc/20/58/90/617205890.db2.gz PFLPCXMUPSHNBR-ZFWWWQNUSA-N 1 2 278.396 1.807 20 30 CDEDLO C=CC[C@H]1CCN1C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000890552600 617205892 /nfs/dbraw/zinc/20/58/92/617205892.db2.gz PFLPCXMUPSHNBR-ZFWWWQNUSA-N 1 2 278.396 1.807 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[N@H+](C/C=C/Cl)CC1 ZINC000980838335 617289226 /nfs/dbraw/zinc/28/92/26/617289226.db2.gz NEDDSTSLTIOAQU-FWEMWIAWSA-N 1 2 255.749 1.433 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[N@@H+](C/C=C/Cl)CC1 ZINC000980838335 617289230 /nfs/dbraw/zinc/28/92/30/617289230.db2.gz NEDDSTSLTIOAQU-FWEMWIAWSA-N 1 2 255.749 1.433 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc3nccn3c2)C1 ZINC000957120411 612991955 /nfs/dbraw/zinc/99/19/55/612991955.db2.gz BQPJTACLTLCNNO-UHFFFAOYSA-N 1 2 296.374 1.504 20 30 CDEDLO C#CCC[N@H+]1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000981208896 613003493 /nfs/dbraw/zinc/00/34/93/613003493.db2.gz CQWVZMZVLWDLNM-SNVBAGLBSA-N 1 2 280.265 1.444 20 30 CDEDLO C#CCC[N@@H+]1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000981208896 613003494 /nfs/dbraw/zinc/00/34/94/613003494.db2.gz CQWVZMZVLWDLNM-SNVBAGLBSA-N 1 2 280.265 1.444 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ncc(Cl)s2)C1 ZINC000967358289 613250850 /nfs/dbraw/zinc/25/08/50/613250850.db2.gz QQEABHNHGHNVNB-UWVGGRQHSA-N 1 2 297.811 1.870 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ncc(Cl)s2)C1 ZINC000967358289 613250853 /nfs/dbraw/zinc/25/08/53/613250853.db2.gz QQEABHNHGHNVNB-UWVGGRQHSA-N 1 2 297.811 1.870 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cccc3nc[nH]c32)[C@H](C)C1 ZINC000943745389 613270896 /nfs/dbraw/zinc/27/08/96/613270896.db2.gz SUNUBWGZIZPVMZ-OCCSQVGLSA-N 1 2 296.374 1.636 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cccc3nc[nH]c32)[C@H](C)C1 ZINC000943745389 613270897 /nfs/dbraw/zinc/27/08/97/613270897.db2.gz SUNUBWGZIZPVMZ-OCCSQVGLSA-N 1 2 296.374 1.636 20 30 CDEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cn[nH]c1 ZINC000948895378 613279986 /nfs/dbraw/zinc/27/99/86/613279986.db2.gz ZTVOOGLHFHPNND-INIZCTEOSA-N 1 2 294.358 1.372 20 30 CDEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cn[nH]c1 ZINC000948895378 613279988 /nfs/dbraw/zinc/27/99/88/613279988.db2.gz ZTVOOGLHFHPNND-INIZCTEOSA-N 1 2 294.358 1.372 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(F)c[nH]2)C1 ZINC000950906261 613296458 /nfs/dbraw/zinc/29/64/58/613296458.db2.gz PCUJZMCHHPSJDN-UHFFFAOYSA-N 1 2 265.332 1.876 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC000980269897 613370012 /nfs/dbraw/zinc/37/00/12/613370012.db2.gz NYNUHRZJSWQNOJ-LBPRGKRZSA-N 1 2 296.802 1.546 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC000980269897 613370013 /nfs/dbraw/zinc/37/00/13/613370013.db2.gz NYNUHRZJSWQNOJ-LBPRGKRZSA-N 1 2 296.802 1.546 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2[nH]c(C)nc2C)C1 ZINC000970436939 613372091 /nfs/dbraw/zinc/37/20/91/613372091.db2.gz LYONWZJJEAWYOM-VIFPVBQESA-N 1 2 296.802 1.829 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(C)n[nH]2)C1 ZINC000969349987 613372331 /nfs/dbraw/zinc/37/23/31/613372331.db2.gz WIIHBLFTQBWNBE-JTQLQIEISA-N 1 2 282.775 1.521 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2nn(C)cc2C)C1 ZINC000969654865 613372584 /nfs/dbraw/zinc/37/25/84/613372584.db2.gz TVMZRFFXHVKSRV-NSHDSACASA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC000968471607 613375609 /nfs/dbraw/zinc/37/56/09/613375609.db2.gz IAUUSFNYDRJQGP-PWSUYJOCSA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC000968471607 613375610 /nfs/dbraw/zinc/37/56/10/613375610.db2.gz IAUUSFNYDRJQGP-PWSUYJOCSA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccnn2C)C1 ZINC000965529562 613378035 /nfs/dbraw/zinc/37/80/35/613378035.db2.gz SLYFEGRLVBHMBC-CMPLNLGQSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccnn2C)C1 ZINC000965529562 613378036 /nfs/dbraw/zinc/37/80/36/613378036.db2.gz SLYFEGRLVBHMBC-CMPLNLGQSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C1CCC(C(=O)N2CCC[N@@H+](CC(=O)NC)CC2)CC1 ZINC000981882792 613404200 /nfs/dbraw/zinc/40/42/00/613404200.db2.gz SFWXVYGFAYZSRK-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO C=C1CCC(C(=O)N2CCC[N@H+](CC(=O)NC)CC2)CC1 ZINC000981882792 613404201 /nfs/dbraw/zinc/40/42/01/613404201.db2.gz SFWXVYGFAYZSRK-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO c1nc(N=NC2CCN(c3cccc[nH+]3)CC2)n[nH]1 ZINC000807997168 617386005 /nfs/dbraw/zinc/38/60/05/617386005.db2.gz FJZMTFGZKMFHBA-UHFFFAOYSA-N 1 2 257.301 1.268 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CC(=O)N[C@@H](CC)C2)C1 ZINC000950961827 613654745 /nfs/dbraw/zinc/65/47/45/613654745.db2.gz VPKSXMNDSPIINC-OLZOCXBDSA-N 1 2 293.411 1.010 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCO[C@H](CCC)C2)CC1 ZINC000952435461 613711139 /nfs/dbraw/zinc/71/11/39/613711139.db2.gz KHBMFIHAPONRNH-HUUCEWRRSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCO[C@@H](CCC)C2)CC1 ZINC000952435459 613711381 /nfs/dbraw/zinc/71/13/81/613711381.db2.gz KHBMFIHAPONRNH-CABCVRRESA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccnc2N(C)C)CC1 ZINC000957644435 613717372 /nfs/dbraw/zinc/71/73/72/613717372.db2.gz NHODDWLYBCQNRX-UHFFFAOYSA-N 1 2 274.368 1.091 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC3CC3)C2)C1 ZINC000972210578 613723885 /nfs/dbraw/zinc/72/38/85/613723885.db2.gz IFXYZXYFDBTUBA-HNNXBMFYSA-N 1 2 264.369 1.276 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC3CC3)C2)C1 ZINC000972210578 613723887 /nfs/dbraw/zinc/72/38/87/613723887.db2.gz IFXYZXYFDBTUBA-HNNXBMFYSA-N 1 2 264.369 1.276 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cncc4nc[nH]c43)[C@@H]2C1 ZINC000978219646 613836369 /nfs/dbraw/zinc/83/63/69/613836369.db2.gz GXYHRVJFTVKOHW-UOJUARBOSA-N 1 2 297.362 1.052 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cncc4nc[nH]c43)[C@@H]2C1 ZINC000978219646 613836370 /nfs/dbraw/zinc/83/63/70/613836370.db2.gz GXYHRVJFTVKOHW-UOJUARBOSA-N 1 2 297.362 1.052 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)[C@@H]1CCCO1 ZINC000775789965 617583909 /nfs/dbraw/zinc/58/39/09/617583909.db2.gz FPWCIIDGVXNGCA-CABCVRRESA-N 1 2 258.296 1.968 20 30 CDEDLO C#CCn1ccc(CN(CC)c2cc(NC)[nH+]cn2)n1 ZINC000893564504 618129209 /nfs/dbraw/zinc/12/92/09/618129209.db2.gz QVIWCANRVMZVPX-UHFFFAOYSA-N 1 2 270.340 1.375 20 30 CDEDLO C#CCn1ccc(CN(CC)c2cc(NC)nc[nH+]2)n1 ZINC000893564504 618129223 /nfs/dbraw/zinc/12/92/23/618129223.db2.gz QVIWCANRVMZVPX-UHFFFAOYSA-N 1 2 270.340 1.375 20 30 CDEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902084907 618549244 /nfs/dbraw/zinc/54/92/44/618549244.db2.gz BQBXQZAQJOODJP-HOTGVXAUSA-N 1 2 299.374 1.442 20 30 CDEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902084907 618549247 /nfs/dbraw/zinc/54/92/47/618549247.db2.gz BQBXQZAQJOODJP-HOTGVXAUSA-N 1 2 299.374 1.442 20 30 CDEDLO Cn1ncc(C=[NH+]Nc2ccc(F)cc2F)c1N ZINC000814686766 618720246 /nfs/dbraw/zinc/72/02/46/618720246.db2.gz ZOTKMZBTPWXHEQ-UHFFFAOYSA-N 1 2 251.240 1.727 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2cccc(F)c2F)CCCN1O ZINC000895165178 619392209 /nfs/dbraw/zinc/39/22/09/619392209.db2.gz KKOFZVNHTKRFPH-JTQLQIEISA-N 1 2 256.252 1.435 20 30 CDEDLO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CCCN(O)C2=O)o1 ZINC000895165478 619393585 /nfs/dbraw/zinc/39/35/85/619393585.db2.gz LCVUASTUUWOKCM-USWWRNFRSA-N 1 2 264.325 1.873 20 30 CDEDLO Cc1nsc(NCC[N@@H+]2CCC3(C2)OCCO3)c1C#N ZINC000895253993 619499375 /nfs/dbraw/zinc/49/93/75/619499375.db2.gz OURORSQPOIJSSL-UHFFFAOYSA-N 1 2 294.380 1.184 20 30 CDEDLO Cc1nsc(NCC[N@H+]2CCC3(C2)OCCO3)c1C#N ZINC000895253993 619499376 /nfs/dbraw/zinc/49/93/76/619499376.db2.gz OURORSQPOIJSSL-UHFFFAOYSA-N 1 2 294.380 1.184 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897931507 621209361 /nfs/dbraw/zinc/20/93/61/621209361.db2.gz SPLPKLIEIJAVJL-SMDDNHRTSA-N 1 2 292.383 1.233 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897931507 621209365 /nfs/dbraw/zinc/20/93/65/621209365.db2.gz SPLPKLIEIJAVJL-SMDDNHRTSA-N 1 2 292.383 1.233 20 30 CDEDLO Nc1ccc(/C=C2/S/C(=N/C3CC3)NC2=O)c[nH+]1 ZINC000899386583 622222266 /nfs/dbraw/zinc/22/22/66/622222266.db2.gz OSRVRMUORCRWGG-WEVVVXLNSA-N 1 2 260.322 1.386 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CC3COC3)CC2)cc1 ZINC000899967561 622590964 /nfs/dbraw/zinc/59/09/64/622590964.db2.gz OFVIYOKGPJYVGX-UHFFFAOYSA-N 1 2 299.374 1.239 20 30 CDEDLO N#CC1(NC(=O)CNc2cccc[nH+]2)CCSCC1 ZINC000901204853 624000154 /nfs/dbraw/zinc/00/01/54/624000154.db2.gz HWXHPCUOBNZHNO-UHFFFAOYSA-N 1 2 276.365 1.399 20 30 CDEDLO O[C@@H]1CCCC[C@H]1NN=Cc1cccc2[nH+]ccn21 ZINC000901339580 624161618 /nfs/dbraw/zinc/16/16/18/624161618.db2.gz VXYCJXLSZJQHAG-CHWSQXEVSA-N 1 2 258.325 1.561 20 30 CDEDLO Cn1cncc1/C=C1/CC/C(=C/c2c[nH+]cn2C)C1=O ZINC000901417711 624229193 /nfs/dbraw/zinc/22/91/93/624229193.db2.gz UEUMSUSKFVGWRF-CBIKUMSCSA-N 1 2 268.320 1.984 20 30 CDEDLO C#CC[N@H+](CN1C(=O)[C@H](C2CC2)[C@@H]1C1CC1)C(C)C ZINC000905747680 626944210 /nfs/dbraw/zinc/94/42/10/626944210.db2.gz ANGDMZOLYRHPIR-CABCVRRESA-N 1 2 260.381 1.935 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)[C@H](C2CC2)[C@@H]1C1CC1)C(C)C ZINC000905747680 626944214 /nfs/dbraw/zinc/94/42/14/626944214.db2.gz ANGDMZOLYRHPIR-CABCVRRESA-N 1 2 260.381 1.935 20 30 CDEDLO C=CCCC(=O)[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000908658796 628319074 /nfs/dbraw/zinc/31/90/74/628319074.db2.gz GKXWCUFVWKDWCA-NSHDSACASA-N 1 2 261.325 1.479 20 30 CDEDLO C#CC[C@H](CO)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000914351628 631365169 /nfs/dbraw/zinc/36/51/69/631365169.db2.gz ILTCZBQLKSZYBD-CQSZACIVSA-N 1 2 298.346 1.056 20 30 CDEDLO CNC(=S)NN=C1CCN(c2cccc[nH+]2)CC1 ZINC000915936152 631875421 /nfs/dbraw/zinc/87/54/21/631875421.db2.gz DLHIRYLJLHSNDH-UHFFFAOYSA-N 1 2 263.370 1.132 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)CCC(C)(C)C ZINC000884147351 694862181 /nfs/dbraw/zinc/86/21/81/694862181.db2.gz HICBVBXXMWQYCP-NEPJUHHUSA-N 1 2 284.400 1.764 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C#CC(C)(C)C ZINC000874710154 693887523 /nfs/dbraw/zinc/88/75/23/693887523.db2.gz FYKZNKXMEBAYKJ-CYBMUJFWSA-N 1 2 266.385 1.263 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C#CC(C)(C)C ZINC000874710154 693887524 /nfs/dbraw/zinc/88/75/24/693887524.db2.gz FYKZNKXMEBAYKJ-CYBMUJFWSA-N 1 2 266.385 1.263 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2scnc2CC)C1 ZINC001014646168 693899276 /nfs/dbraw/zinc/89/92/76/693899276.db2.gz SAUQVCAHHFERSA-JTQLQIEISA-N 1 2 263.366 1.143 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2scnc2CC)C1 ZINC001014646168 693899277 /nfs/dbraw/zinc/89/92/77/693899277.db2.gz SAUQVCAHHFERSA-JTQLQIEISA-N 1 2 263.366 1.143 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccncn2)C1 ZINC001033510324 693945527 /nfs/dbraw/zinc/94/55/27/693945527.db2.gz WYRSPYWBLCQRGP-NSHDSACASA-N 1 2 280.759 1.375 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccncn2)C1 ZINC001033510324 693945535 /nfs/dbraw/zinc/94/55/35/693945535.db2.gz WYRSPYWBLCQRGP-NSHDSACASA-N 1 2 280.759 1.375 20 30 CDEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)c1cc[nH]c1 ZINC001038283240 693972206 /nfs/dbraw/zinc/97/22/06/693972206.db2.gz CJRYZMUDDTXJNA-QGZVFWFLSA-N 1 2 293.370 1.871 20 30 CDEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)c1cc[nH]c1 ZINC001038283240 693972216 /nfs/dbraw/zinc/97/22/16/693972216.db2.gz CJRYZMUDDTXJNA-QGZVFWFLSA-N 1 2 293.370 1.871 20 30 CDEDLO C#CC[C@H]([NH2+][C@@H](C)CC1CCOCC1)C(=O)OC ZINC000839169486 695095714 /nfs/dbraw/zinc/09/57/14/695095714.db2.gz SJPJDAPPFBPEPO-AAEUAGOBSA-N 1 2 253.342 1.346 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001034120180 693981709 /nfs/dbraw/zinc/98/17/09/693981709.db2.gz DCAYVHLXXMBDBE-GFCCVEGCSA-N 1 2 282.775 1.747 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001034120180 693981716 /nfs/dbraw/zinc/98/17/16/693981716.db2.gz DCAYVHLXXMBDBE-GFCCVEGCSA-N 1 2 282.775 1.747 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]c(C)cc1C ZINC001032478892 694015277 /nfs/dbraw/zinc/01/52/77/694015277.db2.gz UNQAFKRBNYUICO-STQMWFEESA-N 1 2 257.337 1.163 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]c(C)cc1C ZINC001032478892 694015286 /nfs/dbraw/zinc/01/52/86/694015286.db2.gz UNQAFKRBNYUICO-STQMWFEESA-N 1 2 257.337 1.163 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c1C ZINC000782625337 694035181 /nfs/dbraw/zinc/03/51/81/694035181.db2.gz YTOHKKQNZCTSAK-PBHICJAKSA-N 1 2 288.391 1.788 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c1C ZINC000782625337 694035182 /nfs/dbraw/zinc/03/51/82/694035182.db2.gz YTOHKKQNZCTSAK-PBHICJAKSA-N 1 2 288.391 1.788 20 30 CDEDLO CC1(C#N)CC[NH+](Cn2cc(-c3ccncn3)cn2)CC1 ZINC000848483301 694069490 /nfs/dbraw/zinc/06/94/90/694069490.db2.gz BTLBWFQFKXLGLK-UHFFFAOYSA-N 1 2 282.351 1.923 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2c(F)ccnc2F)CC1 ZINC000847416305 694160969 /nfs/dbraw/zinc/16/09/69/694160969.db2.gz JZRNCQWCGGBAMZ-UHFFFAOYSA-N 1 2 279.290 1.141 20 30 CDEDLO C#Cc1cccc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000837107146 688214308 /nfs/dbraw/zinc/21/43/08/688214308.db2.gz YHXIREFFACPIBQ-OAHLLOKOSA-N 1 2 279.343 1.743 20 30 CDEDLO C=CC[N@@H+](Cc1nnc2c(=O)n(C)ccn12)C(C)(C)C ZINC000878950504 688224489 /nfs/dbraw/zinc/22/44/89/688224489.db2.gz UJZXTUKVPQAHBG-UHFFFAOYSA-N 1 2 275.356 1.215 20 30 CDEDLO C=CC[N@H+](Cc1nnc2c(=O)n(C)ccn12)C(C)(C)C ZINC000878950504 688224492 /nfs/dbraw/zinc/22/44/92/688224492.db2.gz UJZXTUKVPQAHBG-UHFFFAOYSA-N 1 2 275.356 1.215 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]cc1C1CC1 ZINC001038864097 688255677 /nfs/dbraw/zinc/25/56/77/688255677.db2.gz MVLMMXQCZBKLGC-GFCCVEGCSA-N 1 2 257.337 1.329 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]cc1C1CC1 ZINC001038864097 688255682 /nfs/dbraw/zinc/25/56/82/688255682.db2.gz MVLMMXQCZBKLGC-GFCCVEGCSA-N 1 2 257.337 1.329 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(-c2ccccc2)n1 ZINC001038445961 688264267 /nfs/dbraw/zinc/26/42/67/688264267.db2.gz MFNXIVRDYGZHCM-OAHLLOKOSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(-c2ccccc2)n1 ZINC001038445961 688264278 /nfs/dbraw/zinc/26/42/78/688264278.db2.gz MFNXIVRDYGZHCM-OAHLLOKOSA-N 1 2 294.358 1.310 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c(C)cnn2C)C1 ZINC001043558599 688304452 /nfs/dbraw/zinc/30/44/52/688304452.db2.gz XWTMJIFZSDFSCQ-UHFFFAOYSA-N 1 2 262.357 1.061 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn2c1ccc(C)c2C ZINC001038362510 688326070 /nfs/dbraw/zinc/32/60/70/688326070.db2.gz CCFMCRNNIIACDU-CQSZACIVSA-N 1 2 296.374 1.388 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn2c1ccc(C)c2C ZINC001038362510 688326077 /nfs/dbraw/zinc/32/60/77/688326077.db2.gz CCFMCRNNIIACDU-CQSZACIVSA-N 1 2 296.374 1.388 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn3ccc(C)cc23)C1 ZINC001030476896 688358250 /nfs/dbraw/zinc/35/82/50/688358250.db2.gz QVLKLRFWPPBWSA-UHFFFAOYSA-N 1 2 284.363 1.633 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2c1OCC2 ZINC001017984271 688370254 /nfs/dbraw/zinc/37/02/54/688370254.db2.gz JGAFBGZLEVQMNZ-GASCZTMLSA-N 1 2 296.370 1.544 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2c1OCC2 ZINC001017984271 688370260 /nfs/dbraw/zinc/37/02/60/688370260.db2.gz JGAFBGZLEVQMNZ-GASCZTMLSA-N 1 2 296.370 1.544 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000791033171 688383271 /nfs/dbraw/zinc/38/32/71/688383271.db2.gz NDZHBMCUFTUZEL-UONOGXRCSA-N 1 2 286.379 1.761 20 30 CDEDLO Cc1nc(N[C@H]2CN(C(=O)C#CC3CC3)CC2(C)C)cc[nH+]1 ZINC001069563738 688383911 /nfs/dbraw/zinc/38/39/11/688383911.db2.gz DYOQGDBWSHSXNG-AWEZNQCLSA-N 1 2 298.390 1.847 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccccc2COC)C1 ZINC001043212807 688387210 /nfs/dbraw/zinc/38/72/10/688387210.db2.gz PYZCOYMMKWMDIA-UHFFFAOYSA-N 1 2 286.375 1.613 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccn(C)c2)C1 ZINC001035335194 688392023 /nfs/dbraw/zinc/39/20/23/688392023.db2.gz ZPYZBWUJIMNMBW-AWEZNQCLSA-N 1 2 277.368 1.032 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccn(C)c2)C1 ZINC001035335194 688392031 /nfs/dbraw/zinc/39/20/31/688392031.db2.gz ZPYZBWUJIMNMBW-AWEZNQCLSA-N 1 2 277.368 1.032 20 30 CDEDLO CC(N=Nc1ccc([N+](=O)[O-])cn1)c1ccc(N)[nH+]c1 ZINC000814806197 688397511 /nfs/dbraw/zinc/39/75/11/688397511.db2.gz RCIPGYDTTLNMGR-UHFFFAOYSA-N 1 2 272.268 1.803 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnnn1CC ZINC001027872744 688451130 /nfs/dbraw/zinc/45/11/30/688451130.db2.gz VXFBCLUEWKXQAT-NSHDSACASA-N 1 2 297.790 1.245 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnnn1CC ZINC001027872744 688451138 /nfs/dbraw/zinc/45/11/38/688451138.db2.gz VXFBCLUEWKXQAT-NSHDSACASA-N 1 2 297.790 1.245 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnccn1 ZINC001024310098 688459200 /nfs/dbraw/zinc/45/92/00/688459200.db2.gz HAXAQKVFKRAQCR-GFCCVEGCSA-N 1 2 294.786 1.813 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cnccn1 ZINC001024310098 688459212 /nfs/dbraw/zinc/45/92/12/688459212.db2.gz HAXAQKVFKRAQCR-GFCCVEGCSA-N 1 2 294.786 1.813 20 30 CDEDLO C#CCCOC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000858927171 688462972 /nfs/dbraw/zinc/46/29/72/688462972.db2.gz JRWOSSPMGMIWLH-UHFFFAOYSA-N 1 2 262.309 1.957 20 30 CDEDLO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2n[nH]cc21 ZINC001032553099 688518500 /nfs/dbraw/zinc/51/85/00/688518500.db2.gz MPWPBQGMHAAXGI-STQMWFEESA-N 1 2 294.358 1.485 20 30 CDEDLO C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2n[nH]cc21 ZINC001032553099 688518511 /nfs/dbraw/zinc/51/85/11/688518511.db2.gz MPWPBQGMHAAXGI-STQMWFEESA-N 1 2 294.358 1.485 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H](C)C1 ZINC001018108391 688550866 /nfs/dbraw/zinc/55/08/66/688550866.db2.gz ADCOKJNOSSUIDY-TUVASFSCSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H](C)C1 ZINC001018108391 688550884 /nfs/dbraw/zinc/55/08/84/688550884.db2.gz ADCOKJNOSSUIDY-TUVASFSCSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CCCc1noc(C[N@@H+](C)[C@H]2CCSC2)n1 ZINC000785583091 688588453 /nfs/dbraw/zinc/58/84/53/688588453.db2.gz BMDONRPYPLFSGI-JTQLQIEISA-N 1 2 251.355 1.573 20 30 CDEDLO C#CCCc1noc(C[N@H+](C)[C@H]2CCSC2)n1 ZINC000785583091 688588467 /nfs/dbraw/zinc/58/84/67/688588467.db2.gz BMDONRPYPLFSGI-JTQLQIEISA-N 1 2 251.355 1.573 20 30 CDEDLO C=CC[C@@H]([NH2+]CC1(C2(O)CCC2)CCC1)C(=O)OC ZINC000886982065 688589307 /nfs/dbraw/zinc/58/93/07/688589307.db2.gz DZZZRIIINPOAAP-GFCCVEGCSA-N 1 2 267.369 1.779 20 30 CDEDLO Cc1cccn2cc(CCNC(=O)C#CC3CC3)[nH+]c12 ZINC000837449056 688643653 /nfs/dbraw/zinc/64/36/53/688643653.db2.gz PIFXCQSDRZEHLK-UHFFFAOYSA-N 1 2 267.332 1.715 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@@H+](CC)[C@@H]2C1 ZINC001074312611 688800279 /nfs/dbraw/zinc/80/02/79/688800279.db2.gz PPPIVEFAJRAJAD-OLZOCXBDSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@H+](CC)[C@@H]2C1 ZINC001074312611 688800281 /nfs/dbraw/zinc/80/02/81/688800281.db2.gz PPPIVEFAJRAJAD-OLZOCXBDSA-N 1 2 266.385 1.520 20 30 CDEDLO CN(C)C(=O)c1cccc(C[NH+]2CCN(CC#N)CC2)c1 ZINC000104090622 688811049 /nfs/dbraw/zinc/81/10/49/688811049.db2.gz YBBDHEIVZNATFA-UHFFFAOYSA-N 1 2 286.379 1.030 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC001038049859 688824484 /nfs/dbraw/zinc/82/44/84/688824484.db2.gz BIOHGKHQORTFPL-NSHDSACASA-N 1 2 265.744 1.496 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC001038049859 688824487 /nfs/dbraw/zinc/82/44/87/688824487.db2.gz BIOHGKHQORTFPL-NSHDSACASA-N 1 2 265.744 1.496 20 30 CDEDLO C=CC[NH2+][C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001018878500 688845614 /nfs/dbraw/zinc/84/56/14/688845614.db2.gz NROWTEMWAUMJOC-YUMQZZPRSA-N 1 2 254.227 1.263 20 30 CDEDLO C=CC[NH2+][C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001018878500 688845623 /nfs/dbraw/zinc/84/56/23/688845623.db2.gz NROWTEMWAUMJOC-YUMQZZPRSA-N 1 2 254.227 1.263 20 30 CDEDLO C[C@@H](CC(=O)Nc1cnn(CC#N)c1)n1cc[nH+]c1 ZINC000845345777 688847408 /nfs/dbraw/zinc/84/74/08/688847408.db2.gz XENJWMOGQJJCPR-JTQLQIEISA-N 1 2 258.285 1.193 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2[nH]nc(C3CC3)c2Cl)C1 ZINC001015092643 694282869 /nfs/dbraw/zinc/28/28/69/694282869.db2.gz FBWKBHKPAJXTIO-SNVBAGLBSA-N 1 2 292.770 1.378 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc(C3CC3)c2Cl)C1 ZINC001015092643 694282875 /nfs/dbraw/zinc/28/28/75/694282875.db2.gz FBWKBHKPAJXTIO-SNVBAGLBSA-N 1 2 292.770 1.378 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncc2n1CCCC2 ZINC001018294017 694318560 /nfs/dbraw/zinc/31/85/60/694318560.db2.gz PVFIPFZAOMXDIB-GASCZTMLSA-N 1 2 298.390 1.141 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncc2n1CCCC2 ZINC001018294017 694318563 /nfs/dbraw/zinc/31/85/63/694318563.db2.gz PVFIPFZAOMXDIB-GASCZTMLSA-N 1 2 298.390 1.141 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccnn2)C1 ZINC001033995684 694335536 /nfs/dbraw/zinc/33/55/36/694335536.db2.gz BZSLNLGMQSFDMS-LBPRGKRZSA-N 1 2 294.786 1.766 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccnn2)C1 ZINC001033995684 694335539 /nfs/dbraw/zinc/33/55/39/694335539.db2.gz BZSLNLGMQSFDMS-LBPRGKRZSA-N 1 2 294.786 1.766 20 30 CDEDLO C[N@H+](CCOc1ccccc1C#N)[C@@H]1CC(C)(C)OC1=O ZINC000795711939 694345299 /nfs/dbraw/zinc/34/52/99/694345299.db2.gz XRMSZVXCJKRHBN-CYBMUJFWSA-N 1 2 288.347 1.963 20 30 CDEDLO C[N@@H+](CCOc1ccccc1C#N)[C@@H]1CC(C)(C)OC1=O ZINC000795711939 694345303 /nfs/dbraw/zinc/34/53/03/694345303.db2.gz XRMSZVXCJKRHBN-CYBMUJFWSA-N 1 2 288.347 1.963 20 30 CDEDLO Cc1nc(NC2(CNC(=O)[C@@H](C)C#N)CCCC2)cc[nH+]1 ZINC001104378084 1158913916 /nfs/dbraw/zinc/91/39/16/1158913916.db2.gz BGBJADBRMXJPTJ-NSHDSACASA-N 1 2 287.367 1.786 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3c[nH]nc3C)cc2C1 ZINC001054276266 694361840 /nfs/dbraw/zinc/36/18/40/694361840.db2.gz RTOGMPHWESXIRO-UHFFFAOYSA-N 1 2 294.358 1.597 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3c[nH]nc3C)cc2C1 ZINC001054276266 694361842 /nfs/dbraw/zinc/36/18/42/694361842.db2.gz RTOGMPHWESXIRO-UHFFFAOYSA-N 1 2 294.358 1.597 20 30 CDEDLO CC(C)[N@H+](CCS(C)(=O)=O)Cc1cccc(C#N)c1 ZINC000123187654 694387512 /nfs/dbraw/zinc/38/75/12/694387512.db2.gz FGNNDSGYIHHACM-UHFFFAOYSA-N 1 2 280.393 1.813 20 30 CDEDLO CC(C)[N@@H+](CCS(C)(=O)=O)Cc1cccc(C#N)c1 ZINC000123187654 694387515 /nfs/dbraw/zinc/38/75/15/694387515.db2.gz FGNNDSGYIHHACM-UHFFFAOYSA-N 1 2 280.393 1.813 20 30 CDEDLO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1snnc1C ZINC001024324324 694400930 /nfs/dbraw/zinc/40/09/30/694400930.db2.gz TXGMUDUAXBVIJI-GFCCVEGCSA-N 1 2 292.408 1.454 20 30 CDEDLO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1snnc1C ZINC001024324324 694400933 /nfs/dbraw/zinc/40/09/33/694400933.db2.gz TXGMUDUAXBVIJI-GFCCVEGCSA-N 1 2 292.408 1.454 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](C)n2cccn2)C1 ZINC001042497225 694445257 /nfs/dbraw/zinc/44/52/57/694445257.db2.gz NKIXCRSSAWGLIE-GFCCVEGCSA-N 1 2 262.357 1.163 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnn1CCC ZINC001038298998 694446201 /nfs/dbraw/zinc/44/62/01/694446201.db2.gz BYBGIGDLWTZQTH-ZDUSSCGKSA-N 1 2 274.368 1.121 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnn1CCC ZINC001038298998 694446208 /nfs/dbraw/zinc/44/62/08/694446208.db2.gz BYBGIGDLWTZQTH-ZDUSSCGKSA-N 1 2 274.368 1.121 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(CC)n[nH]1 ZINC001027759103 694464786 /nfs/dbraw/zinc/46/47/86/694464786.db2.gz IGKUTRXTDNBWQA-LBPRGKRZSA-N 1 2 296.802 1.919 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(CC)n[nH]1 ZINC001027759103 694464791 /nfs/dbraw/zinc/46/47/91/694464791.db2.gz IGKUTRXTDNBWQA-LBPRGKRZSA-N 1 2 296.802 1.919 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2cccn2)[C@H]1C ZINC000993017227 694476199 /nfs/dbraw/zinc/47/61/99/694476199.db2.gz XHCXBANCFPKFSV-OLZOCXBDSA-N 1 2 296.802 1.605 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2cccn2)[C@H]1C ZINC000993017227 694476209 /nfs/dbraw/zinc/47/62/09/694476209.db2.gz XHCXBANCFPKFSV-OLZOCXBDSA-N 1 2 296.802 1.605 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2C[C@@H](C)Cc3cn[nH]c32)C1 ZINC001043622101 694498287 /nfs/dbraw/zinc/49/82/87/694498287.db2.gz KYWYLWIYPGYZBU-FZMZJTMJSA-N 1 2 288.395 1.404 20 30 CDEDLO CCCC[N@@H+]1CCOC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001050879812 694499728 /nfs/dbraw/zinc/49/97/28/694499728.db2.gz HWCIBAQQTOEZLT-CQSZACIVSA-N 1 2 290.367 1.117 20 30 CDEDLO CCCC[N@H+]1CCOC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001050879812 694499741 /nfs/dbraw/zinc/49/97/41/694499741.db2.gz HWCIBAQQTOEZLT-CQSZACIVSA-N 1 2 290.367 1.117 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)Cc1cc(C#N)cs1 ZINC000887968647 692130856 /nfs/dbraw/zinc/13/08/56/692130856.db2.gz SIKZPHSWTWXAKR-UHFFFAOYSA-N 1 2 274.349 1.852 20 30 CDEDLO C#CC[NH+]1CCC(N(C)C(=O)c2cccc3nn[nH]c32)CC1 ZINC001005449972 692135615 /nfs/dbraw/zinc/13/56/15/692135615.db2.gz ZSVBLQSJDWOVEO-UHFFFAOYSA-N 1 2 297.362 1.128 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCS[C@@H]1C ZINC000844117278 692196944 /nfs/dbraw/zinc/19/69/44/692196944.db2.gz WWYCHJXIOMOJFG-UTUOFQBUSA-N 1 2 252.383 1.094 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCS[C@@H]1C ZINC000844117278 692196951 /nfs/dbraw/zinc/19/69/51/692196951.db2.gz WWYCHJXIOMOJFG-UTUOFQBUSA-N 1 2 252.383 1.094 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccn3ccnc23)C1 ZINC001031096377 692235001 /nfs/dbraw/zinc/23/50/01/692235001.db2.gz LBDOEEDTLZYIQX-UHFFFAOYSA-N 1 2 270.336 1.324 20 30 CDEDLO C#CCOc1ccc(CNC(=O)CCCn2cc[nH+]c2)cc1 ZINC000836869177 694513739 /nfs/dbraw/zinc/51/37/39/694513739.db2.gz SXVCUUYUZHXERJ-UHFFFAOYSA-N 1 2 297.358 1.992 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C2CC=CC2)C1 ZINC001073558822 692250370 /nfs/dbraw/zinc/25/03/70/692250370.db2.gz SMGJRVVMYJALKF-AWEZNQCLSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C2CC=CC2)C1 ZINC001073558822 692250380 /nfs/dbraw/zinc/25/03/80/692250380.db2.gz SMGJRVVMYJALKF-AWEZNQCLSA-N 1 2 298.814 1.912 20 30 CDEDLO COCCN(C)[NH+]=Cc1sc(N(C)C)nc1OC ZINC000794968382 692256721 /nfs/dbraw/zinc/25/67/21/692256721.db2.gz OMIZVFWXYJKJOE-UHFFFAOYSA-N 1 2 272.374 1.130 20 30 CDEDLO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+]2C/C=C\Cl)c1 ZINC001038685775 692259480 /nfs/dbraw/zinc/25/94/80/692259480.db2.gz XKJZYTNQTVIDFB-PKXJPQMGSA-N 1 2 289.766 1.620 20 30 CDEDLO C#Cc1cncc(C(=O)NC[C@H]2CC[N@@H+]2C/C=C\Cl)c1 ZINC001038685775 692259485 /nfs/dbraw/zinc/25/94/85/692259485.db2.gz XKJZYTNQTVIDFB-PKXJPQMGSA-N 1 2 289.766 1.620 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC23CCCC3)C1 ZINC001035564346 692293453 /nfs/dbraw/zinc/29/34/53/692293453.db2.gz WAFXLKPHNJJYDC-ZIAGYGMSSA-N 1 2 278.396 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC23CCCC3)C1 ZINC001035564346 692293459 /nfs/dbraw/zinc/29/34/59/692293459.db2.gz WAFXLKPHNJJYDC-ZIAGYGMSSA-N 1 2 278.396 1.570 20 30 CDEDLO Cc1nc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)cs1 ZINC000971212414 692302663 /nfs/dbraw/zinc/30/26/63/692302663.db2.gz YOUHJKDJEKLUNY-MFKMUULPSA-N 1 2 292.408 1.644 20 30 CDEDLO Cc1nc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)cs1 ZINC000971212414 692302668 /nfs/dbraw/zinc/30/26/68/692302668.db2.gz YOUHJKDJEKLUNY-MFKMUULPSA-N 1 2 292.408 1.644 20 30 CDEDLO N#CCN1CCC[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001028024885 692335503 /nfs/dbraw/zinc/33/55/03/692335503.db2.gz WYMMWCXEWCFIEW-LBPRGKRZSA-N 1 2 283.335 1.052 20 30 CDEDLO C=CC[C@H](NC(=O)Cc1c[nH+]cn1C)c1ccncc1 ZINC000806865348 692359379 /nfs/dbraw/zinc/35/93/79/692359379.db2.gz XEEKAHPIAYGDRE-AWEZNQCLSA-N 1 2 270.336 1.791 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccnc1C ZINC001032782756 692365335 /nfs/dbraw/zinc/36/53/35/692365335.db2.gz LFSDQXSEZKQKOM-KBPBESRZSA-N 1 2 274.368 1.053 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccnc1C ZINC001032782756 692365344 /nfs/dbraw/zinc/36/53/44/692365344.db2.gz LFSDQXSEZKQKOM-KBPBESRZSA-N 1 2 274.368 1.053 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(OC)cc2Cl)C1 ZINC001031117856 692373641 /nfs/dbraw/zinc/37/36/41/692373641.db2.gz QQTROGLQRPPWKE-UHFFFAOYSA-N 1 2 292.766 1.786 20 30 CDEDLO C[N@H+](CC(=O)Nc1cc(C#N)ccc1O)[C@@H]1CCSC1 ZINC000127137896 692381774 /nfs/dbraw/zinc/38/17/74/692381774.db2.gz WNTLPLRMTIDWCO-LLVKDONJSA-N 1 2 291.376 1.640 20 30 CDEDLO C[N@@H+](CC(=O)Nc1cc(C#N)ccc1O)[C@@H]1CCSC1 ZINC000127137896 692381778 /nfs/dbraw/zinc/38/17/78/692381778.db2.gz WNTLPLRMTIDWCO-LLVKDONJSA-N 1 2 291.376 1.640 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C)[C@@H]1C ZINC000884116137 692383154 /nfs/dbraw/zinc/38/31/54/692383154.db2.gz MXCMNBROJFFDNQ-SRVKXCTJSA-N 1 2 268.357 1.080 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CC23CC(OCC)C3)C1 ZINC001043856318 692390422 /nfs/dbraw/zinc/39/04/22/692390422.db2.gz LHLNSJOQAHZIPH-CKDBGZEDSA-N 1 2 292.423 1.910 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1c(C)ncn1C ZINC001027952552 692401448 /nfs/dbraw/zinc/40/14/48/692401448.db2.gz RLBSBFUNRHDJBB-GFCCVEGCSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)ncn1C ZINC001027952552 692401454 /nfs/dbraw/zinc/40/14/54/692401454.db2.gz RLBSBFUNRHDJBB-GFCCVEGCSA-N 1 2 296.802 1.675 20 30 CDEDLO C#CC1(O)CC[NH+]([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC000931145913 692480036 /nfs/dbraw/zinc/48/00/36/692480036.db2.gz WGEBXSXDEAPUSM-NSHDSACASA-N 1 2 263.341 1.714 20 30 CDEDLO Cc1nc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)co1 ZINC000971210472 694530556 /nfs/dbraw/zinc/53/05/56/694530556.db2.gz HQPFNKCJWYQPBO-GWCFXTLKSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1nc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)co1 ZINC000971210472 694530566 /nfs/dbraw/zinc/53/05/66/694530566.db2.gz HQPFNKCJWYQPBO-GWCFXTLKSA-N 1 2 276.340 1.175 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)co1 ZINC001017830359 692525181 /nfs/dbraw/zinc/52/51/81/692525181.db2.gz GZEJVNVJYLYLCE-OKILXGFUSA-N 1 2 272.348 1.900 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)co1 ZINC001017830359 692525197 /nfs/dbraw/zinc/52/51/97/692525197.db2.gz GZEJVNVJYLYLCE-OKILXGFUSA-N 1 2 272.348 1.900 20 30 CDEDLO CC(C)[C@H](C)NC(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000089506455 692531256 /nfs/dbraw/zinc/53/12/56/692531256.db2.gz NDMDVDAOROTZGP-NSHDSACASA-N 1 2 278.356 1.074 20 30 CDEDLO C=CC[N@H+]1CCCC[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC001034381152 692544873 /nfs/dbraw/zinc/54/48/73/692544873.db2.gz LYODMQVKSRNHCE-SNVBAGLBSA-N 1 2 266.320 1.319 20 30 CDEDLO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC001034381152 692544878 /nfs/dbraw/zinc/54/48/78/692544878.db2.gz LYODMQVKSRNHCE-SNVBAGLBSA-N 1 2 266.320 1.319 20 30 CDEDLO C#CCC1(NC(=O)/C=C(\C)C[NH+]2CCOCC2)CCC1 ZINC000886802594 692570107 /nfs/dbraw/zinc/57/01/07/692570107.db2.gz QODWVZDSXLOVKG-WYMLVPIESA-N 1 2 276.380 1.327 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(N(C)C)c1 ZINC001018016105 692609393 /nfs/dbraw/zinc/60/93/93/692609393.db2.gz DPWLPBZCSOKBIZ-GASCZTMLSA-N 1 2 298.390 1.070 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(N(C)C)c1 ZINC001018016105 692609401 /nfs/dbraw/zinc/60/94/01/692609401.db2.gz DPWLPBZCSOKBIZ-GASCZTMLSA-N 1 2 298.390 1.070 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ncccn1 ZINC001024723376 692621600 /nfs/dbraw/zinc/62/16/00/692621600.db2.gz OEYDHXIVRGQYFO-GFCCVEGCSA-N 1 2 294.786 1.813 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ncccn1 ZINC001024723376 692621606 /nfs/dbraw/zinc/62/16/06/692621606.db2.gz OEYDHXIVRGQYFO-GFCCVEGCSA-N 1 2 294.786 1.813 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)c1cnc(C)s1 ZINC000884460560 692656197 /nfs/dbraw/zinc/65/61/97/692656197.db2.gz DIQZNFLWZPRBOG-SCZZXKLOSA-N 1 2 297.380 1.075 20 30 CDEDLO C#CCC1(O)CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000882969846 692700471 /nfs/dbraw/zinc/70/04/71/692700471.db2.gz HOVBREUQNWVOQH-UHFFFAOYSA-N 1 2 259.353 1.756 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2ccc(C)cn21 ZINC001032518875 692705496 /nfs/dbraw/zinc/70/54/96/692705496.db2.gz DSWGCAWSZIOQAN-KBPBESRZSA-N 1 2 294.358 1.175 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2ccc(C)cn21 ZINC001032518875 692705515 /nfs/dbraw/zinc/70/55/15/692705515.db2.gz DSWGCAWSZIOQAN-KBPBESRZSA-N 1 2 294.358 1.175 20 30 CDEDLO N#CC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCOCC1 ZINC000932929303 692714393 /nfs/dbraw/zinc/71/43/93/692714393.db2.gz BELRWULSOAICPY-UHFFFAOYSA-N 1 2 270.292 1.365 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccc(=O)[nH]c1 ZINC001017844666 692718108 /nfs/dbraw/zinc/71/81/08/692718108.db2.gz BGBGMNOUQRHKPN-GASCZTMLSA-N 1 2 299.374 1.028 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccc(=O)[nH]c1 ZINC001017844666 692718124 /nfs/dbraw/zinc/71/81/24/692718124.db2.gz BGBGMNOUQRHKPN-GASCZTMLSA-N 1 2 299.374 1.028 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)noc1CCC ZINC001038254967 692782558 /nfs/dbraw/zinc/78/25/58/692782558.db2.gz QNRVMWGQONUOAE-GFCCVEGCSA-N 1 2 277.368 1.926 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)noc1CCC ZINC001038254967 692782563 /nfs/dbraw/zinc/78/25/63/692782563.db2.gz QNRVMWGQONUOAE-GFCCVEGCSA-N 1 2 277.368 1.926 20 30 CDEDLO C[C@@H]1C[NH+](C[C@H](O)CC2(C#N)CCC2)C[C@@H](C)S1=O ZINC000886168827 692837060 /nfs/dbraw/zinc/83/70/60/692837060.db2.gz ZYVKKXNDJKVGCP-JHJVBQTASA-N 1 2 284.425 1.273 20 30 CDEDLO N#Cc1cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccn2)c[nH]1 ZINC001038175331 692850172 /nfs/dbraw/zinc/85/01/72/692850172.db2.gz OHAQYBYGLBJEOP-OAHLLOKOSA-N 1 2 295.346 1.286 20 30 CDEDLO N#Cc1cc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccn2)c[nH]1 ZINC001038175331 692850174 /nfs/dbraw/zinc/85/01/74/692850174.db2.gz OHAQYBYGLBJEOP-OAHLLOKOSA-N 1 2 295.346 1.286 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc(C)oc1C ZINC001038851080 692858041 /nfs/dbraw/zinc/85/80/41/692858041.db2.gz ZVVJMILSBXLYPN-GFCCVEGCSA-N 1 2 261.325 1.119 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1nc(C)oc1C ZINC001038851080 692858043 /nfs/dbraw/zinc/85/80/43/692858043.db2.gz ZVVJMILSBXLYPN-GFCCVEGCSA-N 1 2 261.325 1.119 20 30 CDEDLO C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)CCc2cnn[nH]2)C1 ZINC001000233526 692858774 /nfs/dbraw/zinc/85/87/74/692858774.db2.gz UUWQOBCIACZSQW-LBPRGKRZSA-N 1 2 297.790 1.070 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)c[nH]1 ZINC001017743634 692868720 /nfs/dbraw/zinc/86/87/20/692868720.db2.gz QXKWWRAENBXBGU-BETUJISGSA-N 1 2 275.327 1.466 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)c[nH]1 ZINC001017743634 692868725 /nfs/dbraw/zinc/86/87/25/692868725.db2.gz QXKWWRAENBXBGU-BETUJISGSA-N 1 2 275.327 1.466 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn(CCCC)c2C)C1 ZINC001031228626 692881559 /nfs/dbraw/zinc/88/15/59/692881559.db2.gz WLLZPUSZQRCKGZ-UHFFFAOYSA-N 1 2 290.411 1.982 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cccc3[nH]ccc32)C1 ZINC001035527086 692898873 /nfs/dbraw/zinc/89/88/73/692898873.db2.gz LNRCKAPNWZVSLB-ZDUSSCGKSA-N 1 2 299.374 1.785 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cccc3[nH]ccc32)C1 ZINC001035527086 692898877 /nfs/dbraw/zinc/89/88/77/692898877.db2.gz LNRCKAPNWZVSLB-ZDUSSCGKSA-N 1 2 299.374 1.785 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](CC(=C)C)C2)cc1 ZINC001030775164 692923345 /nfs/dbraw/zinc/92/33/45/692923345.db2.gz ISAWJNCMXODBIE-UHFFFAOYSA-N 1 2 254.333 1.658 20 30 CDEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)C2CC2)C1 ZINC000970924658 692925200 /nfs/dbraw/zinc/92/52/00/692925200.db2.gz QGGRBMDFTWAEEZ-NSHDSACASA-N 1 2 287.201 1.838 20 30 CDEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)C2CC2)C1 ZINC000970924658 692925206 /nfs/dbraw/zinc/92/52/06/692925206.db2.gz QGGRBMDFTWAEEZ-NSHDSACASA-N 1 2 287.201 1.838 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cocc1C)CCO2 ZINC001053380536 692925792 /nfs/dbraw/zinc/92/57/92/692925792.db2.gz BHYWTHDAAARABX-UHFFFAOYSA-N 1 2 290.363 1.691 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1oc(CC)nc1C ZINC001032714710 692948428 /nfs/dbraw/zinc/94/84/28/692948428.db2.gz CEBVIKUPXUNOPE-RYUDHWBXSA-N 1 2 275.352 1.630 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1oc(CC)nc1C ZINC001032714710 692948434 /nfs/dbraw/zinc/94/84/34/692948434.db2.gz CEBVIKUPXUNOPE-RYUDHWBXSA-N 1 2 275.352 1.630 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2cc3ccccc3o2)C1 ZINC001030766753 692952575 /nfs/dbraw/zinc/95/25/75/692952575.db2.gz IPTKELXTZHBGPB-UHFFFAOYSA-N 1 2 282.343 1.799 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cnn(C(C)C)c2)C1 ZINC001035577299 692971329 /nfs/dbraw/zinc/97/13/29/692971329.db2.gz NWLXTJBMCPOBHP-CQSZACIVSA-N 1 2 292.383 1.081 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cnn(C(C)C)c2)C1 ZINC001035577299 692971332 /nfs/dbraw/zinc/97/13/32/692971332.db2.gz NWLXTJBMCPOBHP-CQSZACIVSA-N 1 2 292.383 1.081 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc(C)nn2C)C1 ZINC001031566461 692975440 /nfs/dbraw/zinc/97/54/40/692975440.db2.gz SWGIXKNESSAMHJ-UHFFFAOYSA-N 1 2 282.775 1.143 20 30 CDEDLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc(C#N)ccc1OC ZINC001032237321 692976673 /nfs/dbraw/zinc/97/66/73/692976673.db2.gz CPJGEZACZABBJY-GJZGRUSLSA-N 1 2 299.374 1.762 20 30 CDEDLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc(C#N)ccc1OC ZINC001032237321 692976679 /nfs/dbraw/zinc/97/66/79/692976679.db2.gz CPJGEZACZABBJY-GJZGRUSLSA-N 1 2 299.374 1.762 20 30 CDEDLO CC[N@H+](CC(=O)Nc1cc(C#N)ccc1O)C1CC1 ZINC000136043054 693005937 /nfs/dbraw/zinc/00/59/37/693005937.db2.gz AZMCRXQOEMHDLF-UHFFFAOYSA-N 1 2 259.309 1.687 20 30 CDEDLO CC[N@@H+](CC(=O)Nc1cc(C#N)ccc1O)C1CC1 ZINC000136043054 693005942 /nfs/dbraw/zinc/00/59/42/693005942.db2.gz AZMCRXQOEMHDLF-UHFFFAOYSA-N 1 2 259.309 1.687 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CC(=O)N2C ZINC000790095169 693038552 /nfs/dbraw/zinc/03/85/52/693038552.db2.gz ANUQPHPPEXCNPE-HNNXBMFYSA-N 1 2 297.358 1.242 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CC(=O)N2C ZINC000790095169 693038561 /nfs/dbraw/zinc/03/85/61/693038561.db2.gz ANUQPHPPEXCNPE-HNNXBMFYSA-N 1 2 297.358 1.242 20 30 CDEDLO C#C[C@](C)(CC)NC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000854703653 693049446 /nfs/dbraw/zinc/04/94/46/693049446.db2.gz BAUVYPLYSAJRJH-OFQRWUPVSA-N 1 2 280.412 1.794 20 30 CDEDLO C#C[C@](C)(CC)NC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000854703653 693049448 /nfs/dbraw/zinc/04/94/48/693049448.db2.gz BAUVYPLYSAJRJH-OFQRWUPVSA-N 1 2 280.412 1.794 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCOc3ccccc32)C1 ZINC001031110139 693130465 /nfs/dbraw/zinc/13/04/65/693130465.db2.gz JQMBLAGRCOLVLP-HNNXBMFYSA-N 1 2 284.359 1.376 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cn2ccc3ccccc32)C1 ZINC001031408917 693144159 /nfs/dbraw/zinc/14/41/59/693144159.db2.gz ZGCGLHUCOAKOFX-UHFFFAOYSA-N 1 2 281.359 1.465 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cn2cc3ccccc3n2)C1 ZINC001031271239 693148564 /nfs/dbraw/zinc/14/85/64/693148564.db2.gz ANEUJZSAQBXLHA-UHFFFAOYSA-N 1 2 284.363 1.413 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928644044 693151348 /nfs/dbraw/zinc/15/13/48/693151348.db2.gz WOVKLZVLBBIIIN-HNNXBMFYSA-N 1 2 280.412 1.982 20 30 CDEDLO CC(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031502727 693176797 /nfs/dbraw/zinc/17/67/97/693176797.db2.gz FUZZZWLHDCNGNH-UHFFFAOYSA-N 1 2 261.300 1.265 20 30 CDEDLO COCc1noc([C@H](C)O[NH+]=C(N)c2ccc(F)cc2)n1 ZINC000784050590 693212631 /nfs/dbraw/zinc/21/26/31/693212631.db2.gz YUOLNKPFFFHPMH-QMMMGPOBSA-N 1 2 294.286 1.753 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc[nH]c1C ZINC001050867122 693213740 /nfs/dbraw/zinc/21/37/40/693213740.db2.gz CZIREKFCOFSLPY-CYBMUJFWSA-N 1 2 277.368 1.330 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc[nH]c1C ZINC001050867122 693213747 /nfs/dbraw/zinc/21/37/47/693213747.db2.gz CZIREKFCOFSLPY-CYBMUJFWSA-N 1 2 277.368 1.330 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1csnn1 ZINC001024901898 693235429 /nfs/dbraw/zinc/23/54/29/693235429.db2.gz CJUFJLMVDCWEMR-ZYHUDNBSSA-N 1 2 293.396 1.168 20 30 CDEDLO N#Cc1cc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccn2)c[nH]1 ZINC001038175329 693245053 /nfs/dbraw/zinc/24/50/53/693245053.db2.gz OHAQYBYGLBJEOP-HNNXBMFYSA-N 1 2 295.346 1.286 20 30 CDEDLO N#Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccn2)c[nH]1 ZINC001038175329 693245061 /nfs/dbraw/zinc/24/50/61/693245061.db2.gz OHAQYBYGLBJEOP-HNNXBMFYSA-N 1 2 295.346 1.286 20 30 CDEDLO C=C[C@H](O)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927079266 693257298 /nfs/dbraw/zinc/25/72/98/693257298.db2.gz LZMHHMSHESBSDF-LBPRGKRZSA-N 1 2 261.325 1.031 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnc3n2CCCC3)C1 ZINC001043616092 693257797 /nfs/dbraw/zinc/25/77/97/693257797.db2.gz FGYBQPXVYGZDQZ-UHFFFAOYSA-N 1 2 288.395 1.552 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)c2ccccc2F)nn1 ZINC000881406564 693279125 /nfs/dbraw/zinc/27/91/25/693279125.db2.gz JSMNGNGUKLTWSU-HNNXBMFYSA-N 1 2 288.326 1.264 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnc3[nH]cnc3c2)C1 ZINC001042813098 694589530 /nfs/dbraw/zinc/58/95/30/694589530.db2.gz CPSQLACVDBQWJL-UHFFFAOYSA-N 1 2 285.351 1.290 20 30 CDEDLO C#C[C@H](CCC)NC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875725604 693291776 /nfs/dbraw/zinc/29/17/76/693291776.db2.gz WTRIQYZXFBUIOR-KGLIPLIRSA-N 1 2 281.400 1.198 20 30 CDEDLO C#C[C@H](CCC)NC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875725604 693291783 /nfs/dbraw/zinc/29/17/83/693291783.db2.gz WTRIQYZXFBUIOR-KGLIPLIRSA-N 1 2 281.400 1.198 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C)c1C1CC1 ZINC001018337521 693318379 /nfs/dbraw/zinc/31/83/79/693318379.db2.gz KFPWFMNNRDIMMZ-OKILXGFUSA-N 1 2 298.390 1.220 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C)c1C1CC1 ZINC001018337521 693318380 /nfs/dbraw/zinc/31/83/80/693318380.db2.gz KFPWFMNNRDIMMZ-OKILXGFUSA-N 1 2 298.390 1.220 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2CCC[C@H](OC)C2)C1 ZINC001030418120 693335689 /nfs/dbraw/zinc/33/56/89/693335689.db2.gz FKQWXXLFCNJIRX-ZFWWWQNUSA-N 1 2 278.396 1.405 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2nc(Cl)cs2)C1 ZINC001015610164 694640829 /nfs/dbraw/zinc/64/08/29/694640829.db2.gz RXPVGKQVTCXHKN-SECBINFHSA-N 1 2 283.784 1.624 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2nc(Cl)cs2)C1 ZINC001015610164 694640830 /nfs/dbraw/zinc/64/08/30/694640830.db2.gz RXPVGKQVTCXHKN-SECBINFHSA-N 1 2 283.784 1.624 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC001043425330 694643945 /nfs/dbraw/zinc/64/39/45/694643945.db2.gz CBZMRIDUSXHSTI-UHFFFAOYSA-N 1 2 299.378 1.599 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001051073027 694645130 /nfs/dbraw/zinc/64/51/30/694645130.db2.gz SCWJXHNATWKGGF-HNNXBMFYSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001051073027 694645131 /nfs/dbraw/zinc/64/51/31/694645131.db2.gz SCWJXHNATWKGGF-HNNXBMFYSA-N 1 2 292.423 1.960 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N[C@H]3CCCN(CC#N)C3)ccn12 ZINC001007338916 693363721 /nfs/dbraw/zinc/36/37/21/693363721.db2.gz VNPOOBYEENSTQX-AWEZNQCLSA-N 1 2 297.362 1.361 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC001038643296 693369305 /nfs/dbraw/zinc/36/93/05/693369305.db2.gz YXYIVQQUMKFQFU-ZDUSSCGKSA-N 1 2 297.358 1.614 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC001038643296 693369308 /nfs/dbraw/zinc/36/93/08/693369308.db2.gz YXYIVQQUMKFQFU-ZDUSSCGKSA-N 1 2 297.358 1.614 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)c(OC)c1 ZINC001038480009 693373434 /nfs/dbraw/zinc/37/34/34/693373434.db2.gz MANOSFMFLRFPIQ-HNNXBMFYSA-N 1 2 286.375 1.831 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)c(OC)c1 ZINC001038480009 693373441 /nfs/dbraw/zinc/37/34/41/693373441.db2.gz MANOSFMFLRFPIQ-HNNXBMFYSA-N 1 2 286.375 1.831 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n[nH]1 ZINC001017388891 693385447 /nfs/dbraw/zinc/38/54/47/693385447.db2.gz KSDWQKISCWPPNL-TXEJJXNPSA-N 1 2 260.341 1.193 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n[nH]1 ZINC001017388891 693385450 /nfs/dbraw/zinc/38/54/50/693385450.db2.gz KSDWQKISCWPPNL-TXEJJXNPSA-N 1 2 260.341 1.193 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)[nH]n1 ZINC001017388891 693385452 /nfs/dbraw/zinc/38/54/52/693385452.db2.gz KSDWQKISCWPPNL-TXEJJXNPSA-N 1 2 260.341 1.193 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)[nH]n1 ZINC001017388891 693385457 /nfs/dbraw/zinc/38/54/57/693385457.db2.gz KSDWQKISCWPPNL-TXEJJXNPSA-N 1 2 260.341 1.193 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccnc2N(C)C)C1 ZINC001031385381 693392495 /nfs/dbraw/zinc/39/24/95/693392495.db2.gz 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/nfs/dbraw/zinc/77/13/39/694771339.db2.gz MWVAHHIOCYWTQV-OLZOCXBDSA-N 1 2 254.374 1.426 20 30 CDEDLO C=C(C)C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C(=O)OCC ZINC000881757322 694743530 /nfs/dbraw/zinc/74/35/30/694743530.db2.gz UNIXFMLFSNLHCR-CHWSQXEVSA-N 1 2 293.367 1.848 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2csc(COC)n2)C1 ZINC001031472520 694754007 /nfs/dbraw/zinc/75/40/07/694754007.db2.gz XVGRRFTVOQJEKJ-UHFFFAOYSA-N 1 2 281.381 1.280 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cocc2C)C1 ZINC001035476921 694800855 /nfs/dbraw/zinc/80/08/55/694800855.db2.gz WRNKOXWIRQJLIH-GFCCVEGCSA-N 1 2 264.325 1.205 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cocc2C)C1 ZINC001035476921 694800856 /nfs/dbraw/zinc/80/08/56/694800856.db2.gz WRNKOXWIRQJLIH-GFCCVEGCSA-N 1 2 264.325 1.205 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Oc1cccnc1 ZINC001032619939 694817029 /nfs/dbraw/zinc/81/70/29/694817029.db2.gz MFKJUINYXIBQSO-ILXRZTDVSA-N 1 2 299.374 1.157 20 30 CDEDLO 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GUIDQFMOXPBWIQ-UHFFFAOYSA-N 1 2 258.369 1.574 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncoc1C(C)(C)C ZINC001038897324 694846772 /nfs/dbraw/zinc/84/67/72/694846772.db2.gz QRSFBXBEWGDRTI-GFCCVEGCSA-N 1 2 289.379 1.800 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncoc1C(C)(C)C ZINC001038897324 694846774 /nfs/dbraw/zinc/84/67/74/694846774.db2.gz QRSFBXBEWGDRTI-GFCCVEGCSA-N 1 2 289.379 1.800 20 30 CDEDLO O[C@@H]1CCC[C@H]1NN=C1CC[N@H+](Cc2ccccc2)C1 ZINC000817333043 694848913 /nfs/dbraw/zinc/84/89/13/694848913.db2.gz MPOWUEDXSXXPAI-HZPDHXFCSA-N 1 2 273.380 1.751 20 30 CDEDLO O[C@@H]1CCC[C@H]1NN=C1CC[N@@H+](Cc2ccccc2)C1 ZINC000817333043 694848914 /nfs/dbraw/zinc/84/89/14/694848914.db2.gz MPOWUEDXSXXPAI-HZPDHXFCSA-N 1 2 273.380 1.751 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC13CCC3)O2 ZINC001053670495 694854300 /nfs/dbraw/zinc/85/43/00/694854300.db2.gz OWFVZYGNQBQJGM-ZIAGYGMSSA-N 1 2 290.407 1.712 20 30 CDEDLO C[C@@H](C#N)OCC[N@@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000388416435 694862102 /nfs/dbraw/zinc/86/21/02/694862102.db2.gz PBEATIRJRXSIBV-RYUDHWBXSA-N 1 2 268.357 1.721 20 30 CDEDLO C[C@@H](C#N)OCC[N@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000388416435 694862104 /nfs/dbraw/zinc/86/21/04/694862104.db2.gz PBEATIRJRXSIBV-RYUDHWBXSA-N 1 2 268.357 1.721 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](Nc2ncncc2Cl)C1 ZINC000884611864 694863157 /nfs/dbraw/zinc/86/31/57/694863157.db2.gz WRIQZOYGCMRQGU-SNVBAGLBSA-N 1 2 250.733 1.640 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](Nc2ncncc2Cl)C1 ZINC000884611864 694863158 /nfs/dbraw/zinc/86/31/58/694863158.db2.gz WRIQZOYGCMRQGU-SNVBAGLBSA-N 1 2 250.733 1.640 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1noc(C(F)F)n1 ZINC000819569667 694864398 /nfs/dbraw/zinc/86/43/98/694864398.db2.gz AWRBAQNAWFFYGU-BDAKNGLRSA-N 1 2 298.293 1.282 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1noc(C(F)F)n1 ZINC000819569667 694864400 /nfs/dbraw/zinc/86/44/00/694864400.db2.gz AWRBAQNAWFFYGU-BDAKNGLRSA-N 1 2 298.293 1.282 20 30 CDEDLO C[C@H](C#N)OCCn1c2ccccc2[nH+]c1NCCO ZINC000802726296 694866189 /nfs/dbraw/zinc/86/61/89/694866189.db2.gz HLSIVKDBIZGRAK-LLVKDONJSA-N 1 2 274.324 1.369 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC(C)(C)c1cccs1 ZINC000884139487 694869055 /nfs/dbraw/zinc/86/90/55/694869055.db2.gz TUULKPMIVFATDJ-JTQLQIEISA-N 1 2 296.392 1.546 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@@H]2C2CCCC2)C1 ZINC001031173239 694869339 /nfs/dbraw/zinc/86/93/39/694869339.db2.gz HVYRZWFIMRWOSQ-HUUCEWRRSA-N 1 2 260.381 1.636 20 30 CDEDLO C[C@H](C#N)OCC[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000801941601 694871352 /nfs/dbraw/zinc/87/13/52/694871352.db2.gz RLQCFTJQSHRWAE-OLZOCXBDSA-N 1 2 294.424 1.750 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccnn3C)[C@@H]2C1 ZINC001075607665 694878644 /nfs/dbraw/zinc/87/86/44/694878644.db2.gz KSUQLVAHOYRTLM-WCQYABFASA-N 1 2 294.786 1.319 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnn3C)[C@@H]2C1 ZINC001075607665 694878646 /nfs/dbraw/zinc/87/86/46/694878646.db2.gz KSUQLVAHOYRTLM-WCQYABFASA-N 1 2 294.786 1.319 20 30 CDEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(c3ncc[nH]3)CC2)cc1 ZINC000846877286 694882602 /nfs/dbraw/zinc/88/26/02/694882602.db2.gz JLUNCWSPBOOPOB-OAHLLOKOSA-N 1 2 297.362 1.137 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(OC)c1 ZINC001032508956 694888177 /nfs/dbraw/zinc/88/81/77/694888177.db2.gz WGDHCJOQOBUALF-GJZGRUSLSA-N 1 2 284.359 1.536 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(OC)c1 ZINC001032508956 694888178 /nfs/dbraw/zinc/88/81/78/694888178.db2.gz WGDHCJOQOBUALF-GJZGRUSLSA-N 1 2 284.359 1.536 20 30 CDEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1C[C@]12CCOC2 ZINC000886276988 694889255 /nfs/dbraw/zinc/88/92/55/694889255.db2.gz CLCABAWHOKWXDO-CJNGLKHVSA-N 1 2 279.380 1.690 20 30 CDEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@H]1C[C@]12CCOC2 ZINC000886276988 694889257 /nfs/dbraw/zinc/88/92/57/694889257.db2.gz CLCABAWHOKWXDO-CJNGLKHVSA-N 1 2 279.380 1.690 20 30 CDEDLO Cc1ccc(NC(=O)c2cc(C#N)c[nH]2)c(N(C)C)[nH+]1 ZINC000122754599 695043219 /nfs/dbraw/zinc/04/32/19/695043219.db2.gz IKXHAHBQTDLEBB-UHFFFAOYSA-N 1 2 269.308 1.908 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nccc2[nH]ccc21 ZINC001017963260 695044411 /nfs/dbraw/zinc/04/44/11/695044411.db2.gz LNHUBGMCISZPJC-BETUJISGSA-N 1 2 294.358 1.485 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nccc2[nH]ccc21 ZINC001017963260 695044412 /nfs/dbraw/zinc/04/44/12/695044412.db2.gz LNHUBGMCISZPJC-BETUJISGSA-N 1 2 294.358 1.485 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000800337072 695052273 /nfs/dbraw/zinc/05/22/73/695052273.db2.gz QSWVMGYZGSBANF-NEPJUHHUSA-N 1 2 298.383 1.561 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000800337072 695052278 /nfs/dbraw/zinc/05/22/78/695052278.db2.gz QSWVMGYZGSBANF-NEPJUHHUSA-N 1 2 298.383 1.561 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc3cnccc3c2)C1 ZINC001030669609 695070498 /nfs/dbraw/zinc/07/04/98/695070498.db2.gz IRAZEWPRIBXIIK-UHFFFAOYSA-N 1 2 293.370 1.601 20 30 CDEDLO CC#CC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000801139913 695096865 /nfs/dbraw/zinc/09/68/65/695096865.db2.gz VHTMPRXHQWIRHW-UHFFFAOYSA-N 1 2 258.321 1.481 20 30 CDEDLO N#CC[C@@H](O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000929462951 695098297 /nfs/dbraw/zinc/09/82/97/695098297.db2.gz ZWSJFEOFLQXWHF-CYBMUJFWSA-N 1 2 288.326 1.094 20 30 CDEDLO Nc1ncc2c(n1)CCCC2=[NH+]OC[C@@H]1CCOC1 ZINC000814912442 695113803 /nfs/dbraw/zinc/11/38/03/695113803.db2.gz SVXUFINNPVSNIH-SECBINFHSA-N 1 2 262.313 1.152 20 30 CDEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)c2[nH]nc3c2CCC3)[C@H]1C ZINC000993558601 695119785 /nfs/dbraw/zinc/11/97/85/695119785.db2.gz XUGNEBNSDGPQDN-DGCLKSJQSA-N 1 2 288.395 1.667 20 30 CDEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2[nH]nc3c2CCC3)[C@H]1C ZINC000993558601 695119799 /nfs/dbraw/zinc/11/97/99/695119799.db2.gz XUGNEBNSDGPQDN-DGCLKSJQSA-N 1 2 288.395 1.667 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(OC(C)C)nc1 ZINC001038319046 695159658 /nfs/dbraw/zinc/15/96/58/695159658.db2.gz AQMGETICCQZUAE-AWEZNQCLSA-N 1 2 287.363 1.306 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OC(C)C)nc1 ZINC001038319046 695159670 /nfs/dbraw/zinc/15/96/70/695159670.db2.gz AQMGETICCQZUAE-AWEZNQCLSA-N 1 2 287.363 1.306 20 30 CDEDLO C[C@H](C#N)C(=O)NC1[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@@H]12 ZINC001114066825 1162411557 /nfs/dbraw/zinc/41/15/57/1162411557.db2.gz ITZANXGPJRNVIM-KZQZEWJISA-N 1 2 288.178 1.511 20 30 CDEDLO C[C@H](C#N)C(=O)NC1[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@@H]12 ZINC001114066825 1162411560 /nfs/dbraw/zinc/41/15/60/1162411560.db2.gz ITZANXGPJRNVIM-KZQZEWJISA-N 1 2 288.178 1.511 20 30 CDEDLO Cc1cccc(S(=O)(=O)NC2(C#N)CC[NH+](C)CC2)c1 ZINC000040366819 1158582704 /nfs/dbraw/zinc/58/27/04/1158582704.db2.gz FTWDIWWEWGXPET-UHFFFAOYSA-N 1 2 293.392 1.261 20 30 CDEDLO C[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000110751845 1161378237 /nfs/dbraw/zinc/37/82/37/1161378237.db2.gz WWUYFLKVBPOOQG-GFCCVEGCSA-N 1 2 293.392 1.024 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](OCC)[C@@H]2CCOC2)CC1 ZINC001113161711 1162118957 /nfs/dbraw/zinc/11/89/57/1162118957.db2.gz ICWRXQPAWJHOEC-HUUCEWRRSA-N 1 2 296.411 1.148 20 30 CDEDLO Cc1nc(N(C)[C@H](C)CNC(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001113585569 1162229731 /nfs/dbraw/zinc/22/97/31/1162229731.db2.gz HJBJJVMQCUMBHU-GFCCVEGCSA-N 1 2 288.395 1.775 20 30 CDEDLO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1[nH]ncc1F ZINC001135408115 1164138652 /nfs/dbraw/zinc/13/86/52/1164138652.db2.gz SFTRXABKJVSWQY-VHSXEESVSA-N 1 2 266.320 1.059 20 30 CDEDLO N#CC[C@@H](C(=O)NCCc1[nH]cc[nH+]1)c1ccccc1 ZINC001617725637 1165606644 /nfs/dbraw/zinc/60/66/44/1165606644.db2.gz USVATLALWWUAHD-CYBMUJFWSA-N 1 2 268.320 1.766 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)c1cc(C#N)ccc1F ZINC001624647647 1165855911 /nfs/dbraw/zinc/85/59/11/1165855911.db2.gz UTSDUTOEFHZJAJ-UHFFFAOYSA-N 1 2 258.256 1.361 20 30 CDEDLO N#Cc1cccc([C@H](O)C[N@@H+]2CCc3c[nH]nc3C2)c1 ZINC001644999750 1167358550 /nfs/dbraw/zinc/35/85/50/1167358550.db2.gz VFSUUDUPAJTDBG-OAHLLOKOSA-N 1 2 268.320 1.373 20 30 CDEDLO N#Cc1cccc([C@H](O)C[N@H+]2CCc3c[nH]nc3C2)c1 ZINC001644999750 1167358556 /nfs/dbraw/zinc/35/85/56/1167358556.db2.gz VFSUUDUPAJTDBG-OAHLLOKOSA-N 1 2 268.320 1.373 20 30 CDEDLO N#Cc1cccc(-c2noc([C@@H]([NH3+])Cn3cccn3)n2)c1 ZINC001247229831 1167412302 /nfs/dbraw/zinc/41/23/02/1167412302.db2.gz KKXLYCABAMWKJR-LBPRGKRZSA-N 1 2 280.291 1.505 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)Nc3c(C#N)c(C)nn3C)ccn12 ZINC001538621175 1167906954 /nfs/dbraw/zinc/90/69/54/1167906954.db2.gz VDPXXGQTRQFCFJ-UHFFFAOYSA-N 1 2 294.318 1.809 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001588325735 1172628879 /nfs/dbraw/zinc/62/88/79/1172628879.db2.gz UGIOZTSZJJQJLP-VIFPVBQESA-N 1 2 286.295 1.228 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001588325735 1172628885 /nfs/dbraw/zinc/62/88/85/1172628885.db2.gz UGIOZTSZJJQJLP-VIFPVBQESA-N 1 2 286.295 1.228 20 30 CDEDLO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001591485539 1173661708 /nfs/dbraw/zinc/66/17/08/1173661708.db2.gz IWKLQOYMLJLNDJ-OAHLLOKOSA-N 1 2 298.350 1.611 20 30 CDEDLO COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC001591485539 1173661715 /nfs/dbraw/zinc/66/17/15/1173661715.db2.gz IWKLQOYMLJLNDJ-OAHLLOKOSA-N 1 2 298.350 1.611 20 30 CDEDLO C[N@H+]1CCO[C@H](CNc2cc(C#N)cc(Cl)n2)C1 ZINC000122850895 1175246576 /nfs/dbraw/zinc/24/65/76/1175246576.db2.gz VRBUXUATWVSZJR-SNVBAGLBSA-N 1 2 266.732 1.349 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNc2cc(C#N)cc(Cl)n2)C1 ZINC000122850895 1175246569 /nfs/dbraw/zinc/24/65/69/1175246569.db2.gz VRBUXUATWVSZJR-SNVBAGLBSA-N 1 2 266.732 1.349 20 30 CDEDLO C#CCCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001602712076 1175369504 /nfs/dbraw/zinc/36/95/04/1175369504.db2.gz DCXTYBWTHHCVLA-UHFFFAOYSA-N 1 2 296.378 1.008 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnccn1 ZINC001717464647 1180684345 /nfs/dbraw/zinc/68/43/45/1180684345.db2.gz FZAKMAAJLJKEMZ-JTQLQIEISA-N 1 2 268.748 1.279 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnccn1 ZINC001717464647 1180684349 /nfs/dbraw/zinc/68/43/49/1180684349.db2.gz FZAKMAAJLJKEMZ-JTQLQIEISA-N 1 2 268.748 1.279 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)COCC)C1 ZINC001717542176 1180730795 /nfs/dbraw/zinc/73/07/95/1180730795.db2.gz YTLCILWELFDKIT-JTQLQIEISA-N 1 2 260.765 1.212 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)COC)C1 ZINC001732151791 1182809637 /nfs/dbraw/zinc/80/96/37/1182809637.db2.gz HGVSIBFXFHVXFN-KOLCDFICSA-N 1 2 260.765 1.212 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)COC)C1 ZINC001732151791 1182809645 /nfs/dbraw/zinc/80/96/45/1182809645.db2.gz HGVSIBFXFHVXFN-KOLCDFICSA-N 1 2 260.765 1.212 20 30 CDEDLO C=C(C)CCC(=O)NC[C@H](C)[NH2+][C@@H](C)c1nc(C)no1 ZINC001752876598 1184946739 /nfs/dbraw/zinc/94/67/39/1184946739.db2.gz CJZIBJLAERKBRK-QWRGUYRKSA-N 1 2 280.372 1.890 20 30 CDEDLO C=CCCCC(=O)NC[C@H]1CC[N@@H+](Cc2cnn(C)n2)C1 ZINC001753133286 1185076591 /nfs/dbraw/zinc/07/65/91/1185076591.db2.gz IIHFFYNTNQWPOO-CYBMUJFWSA-N 1 2 291.399 1.110 20 30 CDEDLO C=CCCCC(=O)NC[C@H]1CC[N@H+](Cc2cnn(C)n2)C1 ZINC001753133286 1185076595 /nfs/dbraw/zinc/07/65/95/1185076595.db2.gz IIHFFYNTNQWPOO-CYBMUJFWSA-N 1 2 291.399 1.110 20 30 CDEDLO C#CC[NH+]1CCN(CCN(C)C(=O)C[C@@H]2C=CCC2)CC1 ZINC001753343793 1185163356 /nfs/dbraw/zinc/16/33/56/1185163356.db2.gz HRBTWFAGRAJTKE-MRXNPFEDSA-N 1 2 289.423 1.052 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)CCCC2CCOCC2)C1 ZINC001753378748 1185178090 /nfs/dbraw/zinc/17/80/90/1185178090.db2.gz UWYUZDCVPUQNOT-UHFFFAOYSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)C=C)C1 ZINC001753651003 1185286773 /nfs/dbraw/zinc/28/67/73/1185286773.db2.gz DTCUSUABUJLGPE-CQSZACIVSA-N 1 2 296.411 1.218 20 30 CDEDLO C=CCOCC[N@H+]1CCO[C@H](CNC(=O)C(C)(C)C=C)C1 ZINC001753651003 1185286776 /nfs/dbraw/zinc/28/67/76/1185286776.db2.gz DTCUSUABUJLGPE-CQSZACIVSA-N 1 2 296.411 1.218 20 30 CDEDLO C=C1CC(C)(C(=O)N(C)[C@@H](C)C[NH2+]Cc2nc(C)no2)C1 ZINC001753712984 1185312492 /nfs/dbraw/zinc/31/24/92/1185312492.db2.gz WAFIODKSBSMXGM-NSHDSACASA-N 1 2 292.383 1.671 20 30 CDEDLO C#CC[N@@H+](C)CCN(C)C(=O)c1cccc2[nH]c(C)nc21 ZINC001753876427 1185376617 /nfs/dbraw/zinc/37/66/17/1185376617.db2.gz RXHBWVNQAPDQBY-UHFFFAOYSA-N 1 2 284.363 1.508 20 30 CDEDLO C#CC[N@H+](C)CCN(C)C(=O)c1cccc2[nH]c(C)nc21 ZINC001753876427 1185376622 /nfs/dbraw/zinc/37/66/22/1185376622.db2.gz RXHBWVNQAPDQBY-UHFFFAOYSA-N 1 2 284.363 1.508 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](CC)OC1CCCCC1 ZINC001754481757 1185636329 /nfs/dbraw/zinc/63/63/29/1185636329.db2.gz BGOGYIUKBKUMCR-GDBMZVCRSA-N 1 2 292.423 1.938 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](CC)OC1CCCCC1 ZINC001754481757 1185636332 /nfs/dbraw/zinc/63/63/32/1185636332.db2.gz BGOGYIUKBKUMCR-GDBMZVCRSA-N 1 2 292.423 1.938 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](CCC)OCC ZINC001754492040 1185640375 /nfs/dbraw/zinc/64/03/75/1185640375.db2.gz UMPPSNFTMYTBDO-STQMWFEESA-N 1 2 252.358 1.015 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](CCC)OCC ZINC001754492040 1185640379 /nfs/dbraw/zinc/64/03/79/1185640379.db2.gz UMPPSNFTMYTBDO-STQMWFEESA-N 1 2 252.358 1.015 20 30 CDEDLO C=CCCC(=O)NC[C@]1(O)CC[N@H+](Cc2nccs2)C1 ZINC001754745998 1185721257 /nfs/dbraw/zinc/72/12/57/1185721257.db2.gz KVQRBFOOROKOAD-CQSZACIVSA-N 1 2 295.408 1.162 20 30 CDEDLO C=CCCC(=O)NC[C@]1(O)CC[N@@H+](Cc2nccs2)C1 ZINC001754745998 1185721263 /nfs/dbraw/zinc/72/12/63/1185721263.db2.gz KVQRBFOOROKOAD-CQSZACIVSA-N 1 2 295.408 1.162 20 30 CDEDLO CC[NH+]1CC2(C1)CN(C(=O)CC#Cc1ccccc1)CCO2 ZINC001755051573 1185800150 /nfs/dbraw/zinc/80/01/50/1185800150.db2.gz YGALYIRTSVUZQO-UHFFFAOYSA-N 1 2 298.386 1.361 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CCC(=C)C)CC2)C1 ZINC001755173784 1185840575 /nfs/dbraw/zinc/84/05/75/1185840575.db2.gz AQLOZYIXDBYZOM-UHFFFAOYSA-N 1 2 290.407 1.669 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CCC(=C)C)CC2)C1 ZINC001755173784 1185840580 /nfs/dbraw/zinc/84/05/80/1185840580.db2.gz AQLOZYIXDBYZOM-UHFFFAOYSA-N 1 2 290.407 1.669 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1csnn1 ZINC001755238978 1185871290 /nfs/dbraw/zinc/87/12/90/1185871290.db2.gz ZGMFOWLVWZGVLO-QWRGUYRKSA-N 1 2 282.413 1.877 20 30 CDEDLO CC(C)C#CC(=O)NC[C@@H](CO)[NH2+]C/C(Cl)=C/Cl ZINC001755627056 1186016578 /nfs/dbraw/zinc/01/65/78/1186016578.db2.gz CGMHOMWIRBFDPK-VQNWOSHQSA-N 1 2 293.194 1.032 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001134058726 1164030496 /nfs/dbraw/zinc/03/04/96/1164030496.db2.gz ZXWWAMOEHIBBKY-OLZOCXBDSA-N 1 2 293.367 1.088 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)c(C)c1 ZINC001032682251 723137929 /nfs/dbraw/zinc/13/79/29/723137929.db2.gz CXOBTCVNGYLOSA-GJZGRUSLSA-N 1 2 284.359 1.536 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)c(C)c1 ZINC001032682251 723137931 /nfs/dbraw/zinc/13/79/31/723137931.db2.gz CXOBTCVNGYLOSA-GJZGRUSLSA-N 1 2 284.359 1.536 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccsc2C)C1 ZINC001035363176 723195899 /nfs/dbraw/zinc/19/58/99/723195899.db2.gz ZMEQSKCNOUVQMR-ZDUSSCGKSA-N 1 2 292.404 1.510 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccsc2C)C1 ZINC001035363176 723195903 /nfs/dbraw/zinc/19/59/03/723195903.db2.gz ZMEQSKCNOUVQMR-ZDUSSCGKSA-N 1 2 292.404 1.510 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccnn2C)C1 ZINC001046183338 723261474 /nfs/dbraw/zinc/26/14/74/723261474.db2.gz OXIUMFKSRFRDCI-ZDUSSCGKSA-N 1 2 282.775 1.367 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccnn2C)C1 ZINC001046183338 723261476 /nfs/dbraw/zinc/26/14/76/723261476.db2.gz OXIUMFKSRFRDCI-ZDUSSCGKSA-N 1 2 282.775 1.367 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2ccc(OC)cc21 ZINC001038352706 723269343 /nfs/dbraw/zinc/26/93/43/723269343.db2.gz OPWWFGMNRLFBIP-ZBFHGGJFSA-N 1 2 298.386 1.549 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2ccc(OC)cc21 ZINC001038352706 723269351 /nfs/dbraw/zinc/26/93/51/723269351.db2.gz OPWWFGMNRLFBIP-ZBFHGGJFSA-N 1 2 298.386 1.549 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(CC(C)C)c1 ZINC001038858613 723316887 /nfs/dbraw/zinc/31/68/87/723316887.db2.gz YCCAUSZFHRSHAU-HNNXBMFYSA-N 1 2 288.395 1.367 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(CC(C)C)c1 ZINC001038858613 723316893 /nfs/dbraw/zinc/31/68/93/723316893.db2.gz YCCAUSZFHRSHAU-HNNXBMFYSA-N 1 2 288.395 1.367 20 30 CDEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H]1CCC(=O)NC1=O ZINC000839469604 723318521 /nfs/dbraw/zinc/31/85/21/723318521.db2.gz MMWCGVIFTNEEIO-CYBMUJFWSA-N 1 2 276.311 1.619 20 30 CDEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H]1CCC(=O)NC1=O ZINC000839469604 723318524 /nfs/dbraw/zinc/31/85/24/723318524.db2.gz MMWCGVIFTNEEIO-CYBMUJFWSA-N 1 2 276.311 1.619 20 30 CDEDLO C#CCCCC(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000846096490 723318934 /nfs/dbraw/zinc/31/89/34/723318934.db2.gz YOFLYRAEJQPOEB-UHFFFAOYSA-N 1 2 299.378 1.449 20 30 CDEDLO CSC1CC[NH+](Cn2ccc(C)c(C#N)c2=O)CC1 ZINC000872627880 723328418 /nfs/dbraw/zinc/32/84/18/723328418.db2.gz KVQRFTPSLIEISD-UHFFFAOYSA-N 1 2 277.393 1.813 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC[C@H](C)C1)CCO2 ZINC001053459264 723330334 /nfs/dbraw/zinc/33/03/34/723330334.db2.gz KNDDEXRJUUGKPH-GJZGRUSLSA-N 1 2 292.423 1.912 20 30 CDEDLO N#C[C@]1(F)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000935571715 723381006 /nfs/dbraw/zinc/38/10/06/723381006.db2.gz NOCDRPDJYOVIKR-CYBMUJFWSA-N 1 2 258.256 1.641 20 30 CDEDLO COC(=O)/C(C)=C\C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879585551 723425030 /nfs/dbraw/zinc/42/50/30/723425030.db2.gz IGEDKDXZWWTYIC-AUWJEWJLSA-N 1 2 299.374 1.800 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)ccc2F)C1 ZINC001035526700 723429368 /nfs/dbraw/zinc/42/93/68/723429368.db2.gz RZOFJJHGRXAUML-CYBMUJFWSA-N 1 2 292.354 1.751 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(C)ccc2F)C1 ZINC001035526700 723429369 /nfs/dbraw/zinc/42/93/69/723429369.db2.gz RZOFJJHGRXAUML-CYBMUJFWSA-N 1 2 292.354 1.751 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)c(C)cn1 ZINC001038533541 723496197 /nfs/dbraw/zinc/49/61/97/723496197.db2.gz UOKLRIYFTSQMJP-AWEZNQCLSA-N 1 2 271.364 1.526 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)c(C)cn1 ZINC001038533541 723496209 /nfs/dbraw/zinc/49/62/09/723496209.db2.gz UOKLRIYFTSQMJP-AWEZNQCLSA-N 1 2 271.364 1.526 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000852521542 723522462 /nfs/dbraw/zinc/52/24/62/723522462.db2.gz PXIZSNSDHALRKW-CQSZACIVSA-N 1 2 290.338 1.721 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000852521542 723522470 /nfs/dbraw/zinc/52/24/70/723522470.db2.gz PXIZSNSDHALRKW-CQSZACIVSA-N 1 2 290.338 1.721 20 30 CDEDLO N#CCc1cccc(NC(=O)CCCn2cc[nH+]c2)n1 ZINC000882475578 723527427 /nfs/dbraw/zinc/52/74/27/723527427.db2.gz RIMAJZZLFKAABO-UHFFFAOYSA-N 1 2 269.308 1.763 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc(C2CCCC2)n1 ZINC001038860694 723554323 /nfs/dbraw/zinc/55/43/23/723554323.db2.gz WDWXIVWZGYCRJO-AWEZNQCLSA-N 1 2 298.390 1.572 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc(C2CCCC2)n1 ZINC001038860694 723554327 /nfs/dbraw/zinc/55/43/27/723554327.db2.gz WDWXIVWZGYCRJO-AWEZNQCLSA-N 1 2 298.390 1.572 20 30 CDEDLO O=C(NCCCn1cc[nH+]c1)c1cccc(C#CCO)c1 ZINC000037568056 723609254 /nfs/dbraw/zinc/60/92/54/723609254.db2.gz SWSOPHBGLYDUSY-UHFFFAOYSA-N 1 2 283.331 1.047 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2cnc(C)o2)C1 ZINC001033140009 723619609 /nfs/dbraw/zinc/61/96/09/723619609.db2.gz RSPCTWFPFAWACG-LBPRGKRZSA-N 1 2 297.786 1.811 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2cnc(C)o2)C1 ZINC001033140009 723619617 /nfs/dbraw/zinc/61/96/17/723619617.db2.gz RSPCTWFPFAWACG-LBPRGKRZSA-N 1 2 297.786 1.811 20 30 CDEDLO CC(C)[C@@H](NC(=O)CO[NH+]=C(N)CCO)c1ccccc1 ZINC000121362323 723624074 /nfs/dbraw/zinc/62/40/74/723624074.db2.gz NEXCUVHNYZFRPX-OAHLLOKOSA-N 1 2 293.367 1.171 20 30 CDEDLO N#Cc1cccc(C[NH+]2CCN(c3ccnc(F)c3)CC2)n1 ZINC000877565150 723625656 /nfs/dbraw/zinc/62/56/56/723625656.db2.gz CHWKLNNCZMNGKN-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO C#CCC[C@H](O)CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000798421977 723633613 /nfs/dbraw/zinc/63/36/13/723633613.db2.gz YKKHCHZRPXZMFG-NSHDSACASA-N 1 2 287.367 1.768 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)C1CC1)CO2 ZINC001053767809 723645115 /nfs/dbraw/zinc/64/51/15/723645115.db2.gz PEBVGZIBCUXZAP-OCCSQVGLSA-N 1 2 276.380 1.015 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(CC)on1 ZINC001038929487 723664103 /nfs/dbraw/zinc/66/41/03/723664103.db2.gz CVOFKDFLBVFXOE-NSHDSACASA-N 1 2 261.325 1.064 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(CC)on1 ZINC001038929487 723664104 /nfs/dbraw/zinc/66/41/04/723664104.db2.gz CVOFKDFLBVFXOE-NSHDSACASA-N 1 2 261.325 1.064 20 30 CDEDLO C=CCCC(=O)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845280733 723671382 /nfs/dbraw/zinc/67/13/82/723671382.db2.gz DGMFFWOGZROPCG-NSHDSACASA-N 1 2 250.298 1.913 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1CC2(COC2)CC1=O ZINC000872562336 723672504 /nfs/dbraw/zinc/67/25/04/723672504.db2.gz NHLOKBALYZPGRA-UHFFFAOYSA-N 1 2 285.347 1.196 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1CC2(COC2)CC1=O ZINC000872562336 723672505 /nfs/dbraw/zinc/67/25/05/723672505.db2.gz NHLOKBALYZPGRA-UHFFFAOYSA-N 1 2 285.347 1.196 20 30 CDEDLO C=CC[NH+]1CCN(c2ncnc(Cl)c2OCC)CC1 ZINC001165031877 721867845 /nfs/dbraw/zinc/86/78/45/721867845.db2.gz YIHKKBFZOSXAJG-UHFFFAOYSA-N 1 2 282.775 1.837 20 30 CDEDLO C=CC[NH+]1CCN(c2nccnc2OC(C)C)CC1 ZINC001165035741 721871934 /nfs/dbraw/zinc/87/19/34/721871934.db2.gz WMGBZMIAUNFTIW-UHFFFAOYSA-N 1 2 262.357 1.572 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001027833669 723066247 /nfs/dbraw/zinc/06/62/47/723066247.db2.gz SKBASVMYPHOHIT-CYBMUJFWSA-N 1 2 292.770 1.833 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001027833669 723066248 /nfs/dbraw/zinc/06/62/48/723066248.db2.gz SKBASVMYPHOHIT-CYBMUJFWSA-N 1 2 292.770 1.833 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccns2)C1 ZINC001035383989 723131080 /nfs/dbraw/zinc/13/10/80/723131080.db2.gz FJTKYMWVVNLLTM-LLVKDONJSA-N 1 2 281.381 1.150 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccns2)C1 ZINC001035383989 723131090 /nfs/dbraw/zinc/13/10/90/723131090.db2.gz FJTKYMWVVNLLTM-LLVKDONJSA-N 1 2 281.381 1.150 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccn1CC ZINC001018280749 723141934 /nfs/dbraw/zinc/14/19/34/723141934.db2.gz QFVXJCKIJSYETH-GASCZTMLSA-N 1 2 285.391 1.820 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccn1CC ZINC001018280749 723141939 /nfs/dbraw/zinc/14/19/39/723141939.db2.gz QFVXJCKIJSYETH-GASCZTMLSA-N 1 2 285.391 1.820 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2CC2CC2)CC1 ZINC000830651468 723159207 /nfs/dbraw/zinc/15/92/07/723159207.db2.gz GOPHCLSQBMNPCZ-UHFFFAOYSA-N 1 2 287.411 1.567 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001035520279 723231733 /nfs/dbraw/zinc/23/17/33/723231733.db2.gz PXAIRLPTGDGQGH-GFCCVEGCSA-N 1 2 292.383 1.150 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001035520279 723231735 /nfs/dbraw/zinc/23/17/35/723231735.db2.gz PXAIRLPTGDGQGH-GFCCVEGCSA-N 1 2 292.383 1.150 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1(C)CCCC1 ZINC001032388717 723237537 /nfs/dbraw/zinc/23/75/37/723237537.db2.gz BPESDYFVSVQVCP-KBPBESRZSA-N 1 2 260.381 1.875 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1(C)CCCC1 ZINC001032388717 723237541 /nfs/dbraw/zinc/23/75/41/723237541.db2.gz BPESDYFVSVQVCP-KBPBESRZSA-N 1 2 260.381 1.875 20 30 CDEDLO N#Cc1cc(C(=O)OCC2CN(c3cccc[nH+]3)C2)c[nH]1 ZINC000842887797 723317687 /nfs/dbraw/zinc/31/76/87/723317687.db2.gz DKEIVSMFRIDVFB-UHFFFAOYSA-N 1 2 282.303 1.575 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2ccc[nH]2)C1 ZINC001010156872 723320326 /nfs/dbraw/zinc/32/03/26/723320326.db2.gz APCAZYNKLYNMCN-OAHLLOKOSA-N 1 2 294.358 1.891 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2ccc[nH]2)C1 ZINC001010156872 723320330 /nfs/dbraw/zinc/32/03/30/723320330.db2.gz APCAZYNKLYNMCN-OAHLLOKOSA-N 1 2 294.358 1.891 20 30 CDEDLO N#CCOc1ccccc1C(=O)NCCn1cc[nH+]c1 ZINC000194151498 723350231 /nfs/dbraw/zinc/35/02/31/723350231.db2.gz PUZCRHARCJREDR-UHFFFAOYSA-N 1 2 270.292 1.215 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cnn(C)c2C)C1 ZINC001014679883 723396564 /nfs/dbraw/zinc/39/65/64/723396564.db2.gz SRXZTOZNKUZVJR-ZDUSSCGKSA-N 1 2 296.802 1.214 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cnn(C)c2C)C1 ZINC001014679883 723396570 /nfs/dbraw/zinc/39/65/70/723396570.db2.gz SRXZTOZNKUZVJR-ZDUSSCGKSA-N 1 2 296.802 1.214 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001019332145 723402426 /nfs/dbraw/zinc/40/24/26/723402426.db2.gz LCYAORALSIUKQR-FZMZJTMJSA-N 1 2 294.424 1.831 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc2c(c1)COC2 ZINC001032752047 723421949 /nfs/dbraw/zinc/42/19/49/723421949.db2.gz ZBVBXKZMELCRGZ-IRXDYDNUSA-N 1 2 296.370 1.178 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc2c(c1)COC2 ZINC001032752047 723421964 /nfs/dbraw/zinc/42/19/64/723421964.db2.gz ZBVBXKZMELCRGZ-IRXDYDNUSA-N 1 2 296.370 1.178 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](C)C[C@H]1C ZINC000884398603 723444636 /nfs/dbraw/zinc/44/46/36/723444636.db2.gz ISUCHPMOVUMCBP-UTUOFQBUSA-N 1 2 268.357 1.080 20 30 CDEDLO C=CC[N@H+](CN1C(=O)CC12CCC2)[C@@H](C)COC ZINC000853534628 723465630 /nfs/dbraw/zinc/46/56/30/723465630.db2.gz LAFIQVWUVTUHCD-LBPRGKRZSA-N 1 2 252.358 1.622 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)CC12CCC2)[C@@H](C)COC ZINC000853534628 723465638 /nfs/dbraw/zinc/46/56/38/723465638.db2.gz LAFIQVWUVTUHCD-LBPRGKRZSA-N 1 2 252.358 1.622 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001038268370 723491949 /nfs/dbraw/zinc/49/19/49/723491949.db2.gz FWSJSEXLMSNAHI-MELADBBJSA-N 1 2 262.397 1.882 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001038268370 723491955 /nfs/dbraw/zinc/49/19/55/723491955.db2.gz FWSJSEXLMSNAHI-MELADBBJSA-N 1 2 262.397 1.882 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC001017683289 723508134 /nfs/dbraw/zinc/50/81/34/723508134.db2.gz IBVZLXFRROGXPV-RFBLXINOSA-N 1 2 272.392 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC001017683289 723508147 /nfs/dbraw/zinc/50/81/47/723508147.db2.gz IBVZLXFRROGXPV-RFBLXINOSA-N 1 2 272.392 1.731 20 30 CDEDLO Cc1nn(C)c(N)c1C=[NH+][N-]c1cc[nH+]c2ccccc12 ZINC000814841906 723546437 /nfs/dbraw/zinc/54/64/37/723546437.db2.gz YTTKBIRLLZOIJY-UHFFFAOYSA-N 1 2 280.335 1.727 20 30 CDEDLO Cc1nn(C)c(N)c1C=[NH+]Nc1ccnc2ccccc21 ZINC000814841906 723546440 /nfs/dbraw/zinc/54/64/40/723546440.db2.gz YTTKBIRLLZOIJY-UHFFFAOYSA-N 1 2 280.335 1.727 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C(C1CC1)C1CC1 ZINC000884113109 723554208 /nfs/dbraw/zinc/55/42/08/723554208.db2.gz GHARLOSHGZUILD-LBPRGKRZSA-N 1 2 280.368 1.080 20 30 CDEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@@](CC)(C(C)C)C1=O ZINC000182622328 723564987 /nfs/dbraw/zinc/56/49/87/723564987.db2.gz YVCOZKHZXSTSEZ-AWEZNQCLSA-N 1 2 267.373 1.808 20 30 CDEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@@](CC)(C(C)C)C1=O ZINC000182622328 723564993 /nfs/dbraw/zinc/56/49/93/723564993.db2.gz YVCOZKHZXSTSEZ-AWEZNQCLSA-N 1 2 267.373 1.808 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(-c2cnco2)cc1 ZINC001038421195 723594581 /nfs/dbraw/zinc/59/45/81/723594581.db2.gz ZBWJIWACHYAVMI-OAHLLOKOSA-N 1 2 295.342 1.779 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(-c2cnco2)cc1 ZINC001038421195 723594585 /nfs/dbraw/zinc/59/45/85/723594585.db2.gz ZBWJIWACHYAVMI-OAHLLOKOSA-N 1 2 295.342 1.779 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(OCC)c1 ZINC001038747584 723610488 /nfs/dbraw/zinc/61/04/88/723610488.db2.gz MBNBORHVWXASEE-AWEZNQCLSA-N 1 2 272.348 1.523 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(OCC)c1 ZINC001038747584 723610489 /nfs/dbraw/zinc/61/04/89/723610489.db2.gz MBNBORHVWXASEE-AWEZNQCLSA-N 1 2 272.348 1.523 20 30 CDEDLO CCOC(=O)[C@H](C)[N@H+](CCO[C@H](C)C#N)C1CC1 ZINC000801950089 723636045 /nfs/dbraw/zinc/63/60/45/723636045.db2.gz VASIKXKXAZOVHA-MNOVXSKESA-N 1 2 254.330 1.331 20 30 CDEDLO CCOC(=O)[C@H](C)[N@@H+](CCO[C@H](C)C#N)C1CC1 ZINC000801950089 723636047 /nfs/dbraw/zinc/63/60/47/723636047.db2.gz VASIKXKXAZOVHA-MNOVXSKESA-N 1 2 254.330 1.331 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)N(C)CC2 ZINC001032760811 723643077 /nfs/dbraw/zinc/64/30/77/723643077.db2.gz RXODBVACVCCNLT-HOTGVXAUSA-N 1 2 295.386 1.211 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)N(C)CC2 ZINC001032760811 723643078 /nfs/dbraw/zinc/64/30/78/723643078.db2.gz RXODBVACVCCNLT-HOTGVXAUSA-N 1 2 295.386 1.211 20 30 CDEDLO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001027882402 723653058 /nfs/dbraw/zinc/65/30/58/723653058.db2.gz NTZATCLJUWWUJP-CHWSQXEVSA-N 1 2 288.395 1.596 20 30 CDEDLO C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001027882402 723653059 /nfs/dbraw/zinc/65/30/59/723653059.db2.gz NTZATCLJUWWUJP-CHWSQXEVSA-N 1 2 288.395 1.596 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(C)c1 ZINC001017504664 723656778 /nfs/dbraw/zinc/65/67/78/723656778.db2.gz PSTXYKTVFJBCQE-OKILXGFUSA-N 1 2 258.321 1.510 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(C)c1 ZINC001017504664 723656784 /nfs/dbraw/zinc/65/67/84/723656784.db2.gz PSTXYKTVFJBCQE-OKILXGFUSA-N 1 2 258.321 1.510 20 30 CDEDLO CC(=NN(C)C[C@H](C)O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000841651669 723662885 /nfs/dbraw/zinc/66/28/85/723662885.db2.gz IITYWKLMBQFPCJ-LBPRGKRZSA-N 1 2 272.352 1.909 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C)n1C ZINC001050823406 723670605 /nfs/dbraw/zinc/67/06/05/723670605.db2.gz SIJHRHJVOCVOEG-CQSZACIVSA-N 1 2 291.395 1.340 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C)n1C ZINC001050823406 723670606 /nfs/dbraw/zinc/67/06/06/723670606.db2.gz SIJHRHJVOCVOEG-CQSZACIVSA-N 1 2 291.395 1.340 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC1(C)C)CO2 ZINC001053900385 723675142 /nfs/dbraw/zinc/67/51/42/723675142.db2.gz LDNRFQZUOIHPTG-KBPBESRZSA-N 1 2 290.407 1.405 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc(F)ccc1F ZINC001032594067 723675310 /nfs/dbraw/zinc/67/53/10/723675310.db2.gz INPNBYNEBGXOBA-KBPBESRZSA-N 1 2 290.313 1.426 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc(F)ccc1F ZINC001032594067 723675311 /nfs/dbraw/zinc/67/53/11/723675311.db2.gz INPNBYNEBGXOBA-KBPBESRZSA-N 1 2 290.313 1.426 20 30 CDEDLO Cn1cc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)cn1 ZINC000794706179 1164572180 /nfs/dbraw/zinc/57/21/80/1164572180.db2.gz FKGWWZCPISPCQC-SNAWJCMRSA-N 1 2 276.365 1.834 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1ccnn1CCC)C1CC1 ZINC000878433846 1166187287 /nfs/dbraw/zinc/18/72/87/1166187287.db2.gz CYNDBHXEJSWTNO-UHFFFAOYSA-N 1 2 260.341 1.329 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1ccnn1CCC)C1CC1 ZINC000878433846 1166187289 /nfs/dbraw/zinc/18/72/89/1166187289.db2.gz CYNDBHXEJSWTNO-UHFFFAOYSA-N 1 2 260.341 1.329 20 30 CDEDLO O=C1C=C2C[N@@H+](CC3CCOCC3)CC[C@H]2S1 ZINC001202566855 1166497115 /nfs/dbraw/zinc/49/71/15/1166497115.db2.gz KBWWKTUASRHSQB-GFCCVEGCSA-N 1 2 253.367 1.687 20 30 CDEDLO O=C1C=C2C[N@H+](CC3CCOCC3)CC[C@H]2S1 ZINC001202566855 1166497119 /nfs/dbraw/zinc/49/71/19/1166497119.db2.gz KBWWKTUASRHSQB-GFCCVEGCSA-N 1 2 253.367 1.687 20 30 CDEDLO C#CCCCC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096364284 1166957097 /nfs/dbraw/zinc/95/70/97/1166957097.db2.gz GQFPYEHUDWYNFS-ZDUSSCGKSA-N 1 2 272.352 1.283 20 30 CDEDLO C[C@H](C#N)C(=O)NC1C[NH+](CCc2ccccc2)C1 ZINC001567787151 1168070027 /nfs/dbraw/zinc/07/00/27/1168070027.db2.gz WLTORFWAMWIJAO-GFCCVEGCSA-N 1 2 257.337 1.189 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cncn2C)[C@H]1C ZINC001088981466 912436938 /nfs/dbraw/zinc/43/69/38/912436938.db2.gz UVPGLNDRUOMPAK-YPMHNXCESA-N 1 2 296.802 1.294 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cncn2C)[C@H]1C ZINC001088981466 912436945 /nfs/dbraw/zinc/43/69/45/912436945.db2.gz UVPGLNDRUOMPAK-YPMHNXCESA-N 1 2 296.802 1.294 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2c3c[nH]nc3CC[C@@H]2C)C1 ZINC001030697077 912566334 /nfs/dbraw/zinc/56/63/34/912566334.db2.gz IOZHJTDIHPRODY-NHYWBVRUSA-N 1 2 288.395 1.452 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)cn3ccnc23)C1 ZINC001030736270 912658258 /nfs/dbraw/zinc/65/82/58/912658258.db2.gz LYRDSGQRYZFEGJ-UHFFFAOYSA-N 1 2 282.347 1.080 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+]([C@@H](C)COC)C2)cc1 ZINC001030775639 912719176 /nfs/dbraw/zinc/71/91/76/912719176.db2.gz UQULBKIFEFVCRO-LBPRGKRZSA-N 1 2 272.348 1.117 20 30 CDEDLO N#Cc1ccnc(Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC001174490096 913165404 /nfs/dbraw/zinc/16/54/04/913165404.db2.gz WAMQVZUGXIOSNC-UHFFFAOYSA-N 1 2 298.350 1.226 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)c2cccs2)C1 ZINC001030942996 913214603 /nfs/dbraw/zinc/21/46/03/913214603.db2.gz QVEFKPASUWERQD-LLVKDONJSA-N 1 2 262.378 1.675 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncc2n1CCCC2 ZINC001039032417 894149566 /nfs/dbraw/zinc/14/95/66/894149566.db2.gz KLZYDWVGFJVGHW-CYBMUJFWSA-N 1 2 286.379 1.047 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncc2n1CCCC2 ZINC001039032417 894149580 /nfs/dbraw/zinc/14/95/80/894149580.db2.gz KLZYDWVGFJVGHW-CYBMUJFWSA-N 1 2 286.379 1.047 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@]2(CC)C(C)C)C1 ZINC001031180119 913886204 /nfs/dbraw/zinc/88/62/04/913886204.db2.gz KABXHHHXHKSSNM-GOEBONIOSA-N 1 2 262.397 1.882 20 30 CDEDLO C=CCCOCC(=O)N[C@@H](C)CCNc1cc[nH+]c(C)n1 ZINC001106367291 913886255 /nfs/dbraw/zinc/88/62/55/913886255.db2.gz BBHVIWPGHTWYOF-LBPRGKRZSA-N 1 2 292.383 1.684 20 30 CDEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)CC)C1 ZINC000970906036 895487013 /nfs/dbraw/zinc/48/70/13/895487013.db2.gz XUNGZJCGYRMXPZ-JTQLQIEISA-N 1 2 275.190 1.838 20 30 CDEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)CC)C1 ZINC000970906036 895487017 /nfs/dbraw/zinc/48/70/17/895487017.db2.gz XUNGZJCGYRMXPZ-JTQLQIEISA-N 1 2 275.190 1.838 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001098212993 896113125 /nfs/dbraw/zinc/11/31/25/896113125.db2.gz AHKZHVHKGGJOIP-JTQLQIEISA-N 1 2 262.357 1.914 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(C)ncn1 ZINC001267192525 897092558 /nfs/dbraw/zinc/09/25/58/897092558.db2.gz PJCZLECIIWLDMV-UHFFFAOYSA-N 1 2 268.748 1.199 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(C)ncn1 ZINC001267192525 897092563 /nfs/dbraw/zinc/09/25/63/897092563.db2.gz PJCZLECIIWLDMV-UHFFFAOYSA-N 1 2 268.748 1.199 20 30 CDEDLO C[C@]1(CO)C[N@H+](Cc2cc(F)c(C#N)c(F)c2)CC[C@H]1O ZINC001140753125 898191369 /nfs/dbraw/zinc/19/13/69/898191369.db2.gz YJKHTRDAXIITMP-HUUCEWRRSA-N 1 2 296.317 1.402 20 30 CDEDLO C[C@]1(CO)C[N@@H+](Cc2cc(F)c(C#N)c(F)c2)CC[C@H]1O ZINC001140753125 898191376 /nfs/dbraw/zinc/19/13/76/898191376.db2.gz YJKHTRDAXIITMP-HUUCEWRRSA-N 1 2 296.317 1.402 20 30 CDEDLO Cc1nc(NC[C@@H](NC(=O)[C@@H](C)C#N)C(C)(C)C)cc[nH+]1 ZINC001125821848 898491853 /nfs/dbraw/zinc/49/18/53/898491853.db2.gz LIDCVUDYQZTPBL-CMPLNLGQSA-N 1 2 289.383 1.888 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCCOC)C[C@@H]21 ZINC001176938428 914375590 /nfs/dbraw/zinc/37/55/90/914375590.db2.gz VLHFBNFEDXGBQC-LSDHHAIUSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCOC)C[C@@H]21 ZINC001176938428 914375605 /nfs/dbraw/zinc/37/56/05/914375605.db2.gz VLHFBNFEDXGBQC-LSDHHAIUSA-N 1 2 296.411 1.291 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCC(=C)C)C[C@@H]21 ZINC001177023597 914438292 /nfs/dbraw/zinc/43/82/92/914438292.db2.gz AENNHIXNZSDJBY-HOTGVXAUSA-N 1 2 290.407 1.668 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCC(=C)C)C[C@@H]21 ZINC001177023597 914438297 /nfs/dbraw/zinc/43/82/97/914438297.db2.gz AENNHIXNZSDJBY-HOTGVXAUSA-N 1 2 290.407 1.668 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC001027311171 900423844 /nfs/dbraw/zinc/42/38/44/900423844.db2.gz KCCFHMQQFFSXCO-NSHDSACASA-N 1 2 282.775 1.699 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC001027311171 900423852 /nfs/dbraw/zinc/42/38/52/900423852.db2.gz KCCFHMQQFFSXCO-NSHDSACASA-N 1 2 282.775 1.699 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(Cl)c(C)c2)[C@@H](O)C1 ZINC001083748504 914487131 /nfs/dbraw/zinc/48/71/31/914487131.db2.gz FQEBTRUSOFCHJZ-KGLIPLIRSA-N 1 2 292.766 1.057 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)c(C)c2)[C@@H](O)C1 ZINC001083748504 914487148 /nfs/dbraw/zinc/48/71/48/914487148.db2.gz FQEBTRUSOFCHJZ-KGLIPLIRSA-N 1 2 292.766 1.057 20 30 CDEDLO C=C(C)CN(C)c1nnc([C@H]2CCC[N@@H+]2C)n1CCOC ZINC001343101216 901372732 /nfs/dbraw/zinc/37/27/32/901372732.db2.gz AARUBROQDNQHGF-CYBMUJFWSA-N 1 2 293.415 1.704 20 30 CDEDLO C=C(C)CN(C)c1nnc([C@H]2CCC[N@H+]2C)n1CCOC ZINC001343101216 901372742 /nfs/dbraw/zinc/37/27/42/901372742.db2.gz AARUBROQDNQHGF-CYBMUJFWSA-N 1 2 293.415 1.704 20 30 CDEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]nnc3c2)[C@@H]1C ZINC000994403664 914542707 /nfs/dbraw/zinc/54/27/07/914542707.db2.gz RQEIFSIQDFVYCH-WCQYABFASA-N 1 2 299.378 1.727 20 30 CDEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]nnc3c2)[C@@H]1C ZINC000994403664 914542719 /nfs/dbraw/zinc/54/27/19/914542719.db2.gz RQEIFSIQDFVYCH-WCQYABFASA-N 1 2 299.378 1.727 20 30 CDEDLO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1n[nH]c2ccccc21 ZINC001038982394 901948296 /nfs/dbraw/zinc/94/82/96/901948296.db2.gz MPQXCGJINQFGNV-GFCCVEGCSA-N 1 2 284.363 1.943 20 30 CDEDLO C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1n[nH]c2ccccc21 ZINC001038982394 901948301 /nfs/dbraw/zinc/94/83/01/901948301.db2.gz MPQXCGJINQFGNV-GFCCVEGCSA-N 1 2 284.363 1.943 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cn(C)nc2C(C)C)C1 ZINC001031380599 914585678 /nfs/dbraw/zinc/58/56/78/914585678.db2.gz LXKKOFXXSFNEAO-UHFFFAOYSA-N 1 2 276.384 1.534 20 30 CDEDLO C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)c1[nH]nc2c1CCC2 ZINC001481828628 902183653 /nfs/dbraw/zinc/18/36/53/902183653.db2.gz WKTPQHOEKVWCKK-JTQLQIEISA-N 1 2 296.802 1.749 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c[nH]c3ncccc23)C1 ZINC001031406682 914615150 /nfs/dbraw/zinc/61/51/50/914615150.db2.gz LSHLBRSNZLSOQY-UHFFFAOYSA-N 1 2 268.320 1.000 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC001031488846 914669758 /nfs/dbraw/zinc/66/97/58/914669758.db2.gz DXKQIVYBCUZMDK-UHFFFAOYSA-N 1 2 273.311 1.907 20 30 CDEDLO C=CC[C@H](C)C(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001268968616 903283257 /nfs/dbraw/zinc/28/32/57/903283257.db2.gz VBVKGSRJKYNIAQ-ZDUSSCGKSA-N 1 2 273.380 1.871 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCCO3)[C@@H]2C1 ZINC001075688931 903542537 /nfs/dbraw/zinc/54/25/37/903542537.db2.gz BVMYWWKJNVKDFO-BFHYXJOUSA-N 1 2 298.814 1.841 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCCO3)[C@@H]2C1 ZINC001075688931 903542539 /nfs/dbraw/zinc/54/25/39/903542539.db2.gz BVMYWWKJNVKDFO-BFHYXJOUSA-N 1 2 298.814 1.841 20 30 CDEDLO N#C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177621212 914806981 /nfs/dbraw/zinc/80/69/81/914806981.db2.gz ZDRCTYQNXLSECJ-SGMGOOAPSA-N 1 2 291.326 1.707 20 30 CDEDLO N#C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1CCC[N@H+]1Cc1ccco1 ZINC001177621212 914806998 /nfs/dbraw/zinc/80/69/98/914806998.db2.gz ZDRCTYQNXLSECJ-SGMGOOAPSA-N 1 2 291.326 1.707 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccon2)c1 ZINC001038084763 921257457 /nfs/dbraw/zinc/25/74/57/921257457.db2.gz WCHYLQIUEUUUEL-AWEZNQCLSA-N 1 2 296.330 1.551 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccon2)c1 ZINC001038084763 921257460 /nfs/dbraw/zinc/25/74/60/921257460.db2.gz WCHYLQIUEUUUEL-AWEZNQCLSA-N 1 2 296.330 1.551 20 30 CDEDLO C=C[C@@H]1C[C@]1([NH2+][C@H]1CCO[C@H](C)C1)C(=O)OCC ZINC001168088209 906890092 /nfs/dbraw/zinc/89/00/92/906890092.db2.gz PFDHVDNYQQGPCI-NRWUCQMLSA-N 1 2 253.342 1.651 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc(C)c2C)[C@H]1C ZINC001088499955 907509860 /nfs/dbraw/zinc/50/98/60/907509860.db2.gz CJLWOBNQFZJLNV-OLZOCXBDSA-N 1 2 274.368 1.242 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2[nH]nc(C)c2C)[C@H]1C ZINC001088499955 907509874 /nfs/dbraw/zinc/50/98/74/907509874.db2.gz CJLWOBNQFZJLNV-OLZOCXBDSA-N 1 2 274.368 1.242 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128481359 921428162 /nfs/dbraw/zinc/42/81/62/921428162.db2.gz LGPBVODLDGBXHP-INIZCTEOSA-N 1 2 290.411 1.937 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128481359 921428170 /nfs/dbraw/zinc/42/81/70/921428170.db2.gz LGPBVODLDGBXHP-INIZCTEOSA-N 1 2 290.411 1.937 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2nnc(C)o2)C1 ZINC001189318272 921428488 /nfs/dbraw/zinc/42/84/88/921428488.db2.gz IMFPDTQYSVVDCB-AAEUAGOBSA-N 1 2 292.383 1.938 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2nnc(C)o2)C1 ZINC001189318272 921428496 /nfs/dbraw/zinc/42/84/96/921428496.db2.gz IMFPDTQYSVVDCB-AAEUAGOBSA-N 1 2 292.383 1.938 20 30 CDEDLO C=C(C)C(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001142511683 908838202 /nfs/dbraw/zinc/83/82/02/908838202.db2.gz SORBGYHVOWCTNX-LLVKDONJSA-N 1 2 258.312 1.895 20 30 CDEDLO Cc1nc(NC[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001060002905 909070229 /nfs/dbraw/zinc/07/02/29/909070229.db2.gz FZFATRJTIKZZDC-WCQYABFASA-N 1 2 287.367 1.595 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCCNc1cc[nH+]c(C)n1 ZINC001094051374 910292247 /nfs/dbraw/zinc/29/22/47/910292247.db2.gz UZUJFVWJPDIEOZ-GFCCVEGCSA-N 1 2 262.357 1.915 20 30 CDEDLO N#Cc1cc(N[C@@H]2CCC[N@@H+](C3COC3)C2)cnc1F ZINC001168372691 910862927 /nfs/dbraw/zinc/86/29/27/910862927.db2.gz MXRJTSOZUXNAPF-LLVKDONJSA-N 1 2 276.315 1.367 20 30 CDEDLO N#Cc1cc(N[C@@H]2CCC[N@H+](C3COC3)C2)cnc1F ZINC001168372691 910862935 /nfs/dbraw/zinc/86/29/35/910862935.db2.gz MXRJTSOZUXNAPF-LLVKDONJSA-N 1 2 276.315 1.367 20 30 CDEDLO N#Cc1cnc2cc(N[C@@H]3CCC[N@@H+](C4COC4)C3)c[nH]c1-2 ZINC001168374474 911061260 /nfs/dbraw/zinc/06/12/60/911061260.db2.gz OHOIIJHQKNYXIZ-GFCCVEGCSA-N 1 2 297.362 1.710 20 30 CDEDLO N#Cc1cnc2cc(N[C@@H]3CCC[N@H+](C4COC4)C3)c[nH]c1-2 ZINC001168374474 911061280 /nfs/dbraw/zinc/06/12/80/911061280.db2.gz OHOIIJHQKNYXIZ-GFCCVEGCSA-N 1 2 297.362 1.710 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2occc2C)[C@H](O)C1 ZINC001090078726 921644413 /nfs/dbraw/zinc/64/44/13/921644413.db2.gz MFKQBPWDNKKJPS-VXGBXAGGSA-N 1 2 298.770 1.506 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2occc2C)[C@H](O)C1 ZINC001090078726 921644418 /nfs/dbraw/zinc/64/44/18/921644418.db2.gz MFKQBPWDNKKJPS-VXGBXAGGSA-N 1 2 298.770 1.506 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@H]1CSc2ccccc2C1 ZINC001172196268 911481393 /nfs/dbraw/zinc/48/13/93/911481393.db2.gz NQQKWJSWUBXZCU-CHWSQXEVSA-N 1 2 259.378 1.501 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2scnc2C)C1 ZINC001030126658 911515546 /nfs/dbraw/zinc/51/55/46/911515546.db2.gz YWNVVKOBRLILFN-UHFFFAOYSA-N 1 2 251.355 1.442 20 30 CDEDLO CC[C@H](C)OCC[C@H](C)[NH2+][C@@H](CS)C(=O)OC ZINC001172318904 911559104 /nfs/dbraw/zinc/55/91/04/911559104.db2.gz MLTNHLNGYSZHCM-DCAQKATOSA-N 1 2 263.403 1.641 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cn(C(C)(C)C)nc2C)C1 ZINC001030300523 911664764 /nfs/dbraw/zinc/66/47/64/911664764.db2.gz CBJGUESSTKCLSB-UHFFFAOYSA-N 1 2 290.411 1.937 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cn2nc(C)cc2C(F)F)C1 ZINC001030369383 911718812 /nfs/dbraw/zinc/71/88/12/911718812.db2.gz DBXVYUPCBZHACF-UHFFFAOYSA-N 1 2 298.337 1.506 20 30 CDEDLO COC(=O)[C@H]1CCC[C@@H]([NH+]2CC(C)(C#N)C2)CC1 ZINC001172782128 911972971 /nfs/dbraw/zinc/97/29/71/911972971.db2.gz MOYCROKTYBLMMV-NWDGAFQWSA-N 1 2 250.342 1.954 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=C)Cl)[C@@H]1C ZINC001088868374 912083517 /nfs/dbraw/zinc/08/35/17/912083517.db2.gz ZMMPLLRJUFEMDR-MQYQWHSLSA-N 1 2 298.814 1.909 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=C)Cl)[C@@H]1C ZINC001088868374 912083527 /nfs/dbraw/zinc/08/35/27/912083527.db2.gz ZMMPLLRJUFEMDR-MQYQWHSLSA-N 1 2 298.814 1.909 20 30 CDEDLO N#C[C@H]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001178119728 915185642 /nfs/dbraw/zinc/18/56/42/915185642.db2.gz WIMZSBONYZMMIE-AVGNSLFASA-N 1 2 272.352 1.644 20 30 CDEDLO CC(C)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004356413 921791739 /nfs/dbraw/zinc/79/17/39/921791739.db2.gz XVHQZSIQQHRJHK-AWEZNQCLSA-N 1 2 263.385 1.869 20 30 CDEDLO CC(C)C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004356413 921791747 /nfs/dbraw/zinc/79/17/47/921791747.db2.gz XVHQZSIQQHRJHK-AWEZNQCLSA-N 1 2 263.385 1.869 20 30 CDEDLO Cc1nc(N[C@@H](C)CNC(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001097761100 936366463 /nfs/dbraw/zinc/36/64/63/936366463.db2.gz YTDFTGNEJRGUGU-VIFPVBQESA-N 1 2 284.323 1.215 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2c[nH]c3ncccc23)CC1 ZINC001181033452 916800973 /nfs/dbraw/zinc/80/09/73/916800973.db2.gz RHTOINWVWWRFTA-UHFFFAOYSA-N 1 2 298.390 1.826 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1(CF)CCC1)CCO2 ZINC001053434888 936413208 /nfs/dbraw/zinc/41/32/08/936413208.db2.gz BTNYXIZGWNUXJQ-UHFFFAOYSA-N 1 2 296.386 1.616 20 30 CDEDLO C=C(C)C[N@H+](C)CN1C(=O)C(=O)N(C2CCCCC2)C1=O ZINC000182625853 917340537 /nfs/dbraw/zinc/34/05/37/917340537.db2.gz QXTZULBUHGDVPO-UHFFFAOYSA-N 1 2 293.367 1.575 20 30 CDEDLO C=C(C)C[N@@H+](C)CN1C(=O)C(=O)N(C2CCCCC2)C1=O ZINC000182625853 917340550 /nfs/dbraw/zinc/34/05/50/917340550.db2.gz QXTZULBUHGDVPO-UHFFFAOYSA-N 1 2 293.367 1.575 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1C1CC1)CO2 ZINC001053951549 936424128 /nfs/dbraw/zinc/42/41/28/936424128.db2.gz YOUWFAJJJPCBNY-SOUVJXGZSA-N 1 2 290.407 1.568 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001182214589 917724901 /nfs/dbraw/zinc/72/49/01/917724901.db2.gz BDANYAQHJBMFSI-LLVKDONJSA-N 1 2 278.381 1.032 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2csnn2)C1 ZINC001054975546 936480376 /nfs/dbraw/zinc/48/03/76/936480376.db2.gz DMTVPSZOJXIHAW-CMPLNLGQSA-N 1 2 294.424 1.687 20 30 CDEDLO C[C@H](C(=O)NCCc1cn(C)c[nH+]1)c1ccc(C#N)cc1 ZINC001182797332 918131451 /nfs/dbraw/zinc/13/14/51/918131451.db2.gz CSIWPKOOJPMLDF-LBPRGKRZSA-N 1 2 282.347 1.754 20 30 CDEDLO Cc1noc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N ZINC001032318658 918381259 /nfs/dbraw/zinc/38/12/59/918381259.db2.gz UZNHVGKFVXLSAC-XDTLVQLUSA-N 1 2 288.351 1.236 20 30 CDEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N ZINC001032318658 918381272 /nfs/dbraw/zinc/38/12/72/918381272.db2.gz UZNHVGKFVXLSAC-XDTLVQLUSA-N 1 2 288.351 1.236 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C=C(C)C)C1 ZINC001107709377 918660846 /nfs/dbraw/zinc/66/08/46/918660846.db2.gz DKMNZLXFMCIBHK-AWEZNQCLSA-N 1 2 252.358 1.346 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C=C(C)C)C1 ZINC001107709377 918660855 /nfs/dbraw/zinc/66/08/55/918660855.db2.gz DKMNZLXFMCIBHK-AWEZNQCLSA-N 1 2 252.358 1.346 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCCC)C1 ZINC001107739688 918718436 /nfs/dbraw/zinc/71/84/36/918718436.db2.gz OJXGDDPXHJCMOG-OAHLLOKOSA-N 1 2 268.401 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCCCC)C1 ZINC001107739688 918718453 /nfs/dbraw/zinc/71/84/53/918718453.db2.gz OJXGDDPXHJCMOG-OAHLLOKOSA-N 1 2 268.401 1.960 20 30 CDEDLO O=C1C=C2C[N@H+](Cc3ncccc3O)CC[C@@H]2S1 ZINC001138390936 936529570 /nfs/dbraw/zinc/52/95/70/936529570.db2.gz LDAQWEVRCBDXPX-LBPRGKRZSA-N 1 2 262.334 1.561 20 30 CDEDLO O=C1C=C2C[N@@H+](Cc3ncccc3O)CC[C@@H]2S1 ZINC001138390936 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C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3ccns3)C[C@H]21 ZINC001084236386 925199289 /nfs/dbraw/zinc/19/92/89/925199289.db2.gz GFJKLMQMEOHHCT-DMDPSCGWSA-N 1 2 290.392 1.335 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccns3)C[C@H]21 ZINC001084236386 925199291 /nfs/dbraw/zinc/19/92/91/925199291.db2.gz GFJKLMQMEOHHCT-DMDPSCGWSA-N 1 2 290.392 1.335 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C)cs3)[C@@H]2C1 ZINC001084329629 925229174 /nfs/dbraw/zinc/22/91/74/925229174.db2.gz FAHAEVCNZRZSDI-CHWSQXEVSA-N 1 2 274.389 1.836 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C)cs3)[C@@H]2C1 ZINC001084329629 925229179 /nfs/dbraw/zinc/22/91/79/925229179.db2.gz FAHAEVCNZRZSDI-CHWSQXEVSA-N 1 2 274.389 1.836 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH2+]C[C@H](O)COCC)[C@@H](C)CC ZINC001252043973 926163510 /nfs/dbraw/zinc/16/35/10/926163510.db2.gz GJTDJZDYOHSVHO-AVGNSLFASA-N 1 2 273.373 1.117 20 30 CDEDLO Cc1ccc(S(=O)(=O)NCc2c[nH+]cn2C)cc1C#N ZINC001201289700 926242193 /nfs/dbraw/zinc/24/21/93/926242193.db2.gz ICFQAHVMQBFJML-UHFFFAOYSA-N 1 2 290.348 1.079 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C)c(C)cc1=O ZINC001085651645 926247801 /nfs/dbraw/zinc/24/78/01/926247801.db2.gz ZWVKFAGSNYSYAB-CYBMUJFWSA-N 1 2 289.379 1.026 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C)c(C)cc1=O ZINC001085651645 926247803 /nfs/dbraw/zinc/24/78/03/926247803.db2.gz ZWVKFAGSNYSYAB-CYBMUJFWSA-N 1 2 289.379 1.026 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2nc(C)oc2c1 ZINC001085652170 926249517 /nfs/dbraw/zinc/24/95/17/926249517.db2.gz OIZAHXJVKRYAMX-CQSZACIVSA-N 1 2 297.358 1.916 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2nc(C)oc2c1 ZINC001085652170 926249519 /nfs/dbraw/zinc/24/95/19/926249519.db2.gz OIZAHXJVKRYAMX-CQSZACIVSA-N 1 2 297.358 1.916 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2[nH]ccc2c1 ZINC001085656682 926253619 /nfs/dbraw/zinc/25/36/19/926253619.db2.gz XAFOKEDSTJBLGH-CQSZACIVSA-N 1 2 282.347 1.294 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2[nH]ccc2c1 ZINC001085656682 926253626 /nfs/dbraw/zinc/25/36/26/926253626.db2.gz XAFOKEDSTJBLGH-CQSZACIVSA-N 1 2 282.347 1.294 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccsc1COC ZINC001085672165 926271984 /nfs/dbraw/zinc/27/19/84/926271984.db2.gz QHRGXGIKDMLDKG-LBPRGKRZSA-N 1 2 292.404 1.674 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccsc1COC ZINC001085672165 926271989 /nfs/dbraw/zinc/27/19/89/926271989.db2.gz QHRGXGIKDMLDKG-LBPRGKRZSA-N 1 2 292.404 1.674 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc2cnccc2c1 ZINC001085725927 926324038 /nfs/dbraw/zinc/32/40/38/926324038.db2.gz JZASWDLUNWJTDL-HNNXBMFYSA-N 1 2 294.358 1.409 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc2cnccc2c1 ZINC001085725927 926324044 /nfs/dbraw/zinc/32/40/44/926324044.db2.gz JZASWDLUNWJTDL-HNNXBMFYSA-N 1 2 294.358 1.409 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1conc1C ZINC001085796238 926406085 /nfs/dbraw/zinc/40/60/85/926406085.db2.gz MWQWPVIHXWZYJT-GFCCVEGCSA-N 1 2 261.325 1.153 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1conc1C ZINC001085796238 926406088 /nfs/dbraw/zinc/40/60/88/926406088.db2.gz MWQWPVIHXWZYJT-GFCCVEGCSA-N 1 2 261.325 1.153 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1oncc1C ZINC001085905796 926494916 /nfs/dbraw/zinc/49/49/16/926494916.db2.gz QCWHBDDARIXJFB-LBPRGKRZSA-N 1 2 261.325 1.153 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1oncc1C ZINC001085905796 926494919 /nfs/dbraw/zinc/49/49/19/926494919.db2.gz QCWHBDDARIXJFB-LBPRGKRZSA-N 1 2 261.325 1.153 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)cc1OC ZINC001085935129 926522769 /nfs/dbraw/zinc/52/27/69/926522769.db2.gz WTSHGRCRDDYLLD-CQSZACIVSA-N 1 2 286.375 1.783 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)cc1OC ZINC001085935129 926522776 /nfs/dbraw/zinc/52/27/76/926522776.db2.gz WTSHGRCRDDYLLD-CQSZACIVSA-N 1 2 286.375 1.783 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1n[nH]c2ccccc21 ZINC001085956259 926538793 /nfs/dbraw/zinc/53/87/93/926538793.db2.gz WYTMJLCXAMBXGD-LBPRGKRZSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1n[nH]c2ccccc21 ZINC001085956259 926538799 /nfs/dbraw/zinc/53/87/99/926538799.db2.gz WYTMJLCXAMBXGD-LBPRGKRZSA-N 1 2 282.347 1.342 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc(COC)s1 ZINC001086002987 926588772 /nfs/dbraw/zinc/58/87/72/926588772.db2.gz XRAHEVCOMPTEFC-NSHDSACASA-N 1 2 295.408 1.622 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc(COC)s1 ZINC001086002987 926588778 /nfs/dbraw/zinc/58/87/78/926588778.db2.gz XRAHEVCOMPTEFC-NSHDSACASA-N 1 2 295.408 1.622 20 30 CDEDLO Cc1cc(NC[C@H](C)NC(=O)[C@@H](C)C#N)nc(C2CC2)[nH+]1 ZINC001108291923 927331126 /nfs/dbraw/zinc/33/11/26/927331126.db2.gz ATDMXQRUZFSSMM-ONGXEEELSA-N 1 2 287.367 1.739 20 30 CDEDLO C#CCOCC[N@H+]1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000851805479 927633276 /nfs/dbraw/zinc/63/32/76/927633276.db2.gz BYGDWYYPCGVLQR-UONOGXRCSA-N 1 2 295.404 1.522 20 30 CDEDLO C#CCOCC[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000851805479 927633285 /nfs/dbraw/zinc/63/32/85/927633285.db2.gz BYGDWYYPCGVLQR-UONOGXRCSA-N 1 2 295.404 1.522 20 30 CDEDLO N#Cc1c(F)ccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)c1N ZINC001149989275 937213338 /nfs/dbraw/zinc/21/33/38/937213338.db2.gz BUVVGOJRTYXLRB-VIFPVBQESA-N 1 2 299.309 1.677 20 30 CDEDLO C[N@@H+]1CCOC[C@H]1CNc1cc(F)cc(CC#N)c1 ZINC001169659416 928301324 /nfs/dbraw/zinc/30/13/24/928301324.db2.gz FPJDDLBYLPPXKK-CQSZACIVSA-N 1 2 263.316 1.634 20 30 CDEDLO C[N@H+]1CCOC[C@H]1CNc1cc(F)cc(CC#N)c1 ZINC001169659416 928301335 /nfs/dbraw/zinc/30/13/35/928301335.db2.gz FPJDDLBYLPPXKK-CQSZACIVSA-N 1 2 263.316 1.634 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc2nc[nH]c2c1 ZINC000854810352 928301244 /nfs/dbraw/zinc/30/12/44/928301244.db2.gz RQRZFRJGPHTLKJ-HNNXBMFYSA-N 1 2 282.347 1.277 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc2nc[nH]c2c1 ZINC000854810352 928301259 /nfs/dbraw/zinc/30/12/59/928301259.db2.gz RQRZFRJGPHTLKJ-HNNXBMFYSA-N 1 2 282.347 1.277 20 30 CDEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C[C@H](C)CC)CC2=O)C1 ZINC001108538980 928386660 /nfs/dbraw/zinc/38/66/60/928386660.db2.gz RZDSOMIJDQYSRB-OLZOCXBDSA-N 1 2 293.411 1.010 20 30 CDEDLO Cc1nccnc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C#N)C2 ZINC001109088536 928791479 /nfs/dbraw/zinc/79/14/79/928791479.db2.gz OGDHYSKUSFSSFN-PBOSXPJTSA-N 1 2 299.378 1.166 20 30 CDEDLO Cc1nccnc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C#N)C2 ZINC001109088536 928791486 /nfs/dbraw/zinc/79/14/86/928791486.db2.gz OGDHYSKUSFSSFN-PBOSXPJTSA-N 1 2 299.378 1.166 20 30 CDEDLO N#Cc1ccc(C(=O)OCCCn2cc[nH+]c2)nc1 ZINC000783566182 937275315 /nfs/dbraw/zinc/27/53/15/937275315.db2.gz SITGCWNHZVYKEG-UHFFFAOYSA-N 1 2 256.265 1.397 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)OCC2CC2)CC1 ZINC001112671820 929312189 /nfs/dbraw/zinc/31/21/89/929312189.db2.gz SKPZJSBESADDCL-LBPRGKRZSA-N 1 2 252.358 1.132 20 30 CDEDLO CCCCOCC[NH+]1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001112718694 929352263 /nfs/dbraw/zinc/35/22/63/929352263.db2.gz QHIVVKWGSNDNKI-CYBMUJFWSA-N 1 2 267.373 1.107 20 30 CDEDLO N#Cc1cnc(CNC(=O)c2cc3c[nH+]ccc3[nH]2)s1 ZINC001151979869 937323806 /nfs/dbraw/zinc/32/38/06/937323806.db2.gz UANPXOPIXWOIST-UHFFFAOYSA-N 1 2 283.316 1.821 20 30 CDEDLO C=C(C)C(=O)OCCNc1[nH+]cc(C)cc1OC ZINC001157304638 929457512 /nfs/dbraw/zinc/45/75/12/929457512.db2.gz HJRPDYWWFZALEA-UHFFFAOYSA-N 1 2 250.298 1.930 20 30 CDEDLO C#CCC1(C(=O)N2CC[NH+](CCOCC=C)CC2)CCC1 ZINC001112953315 929601114 /nfs/dbraw/zinc/60/11/14/929601114.db2.gz QUBFMLHEXOHYJQ-UHFFFAOYSA-N 1 2 290.407 1.527 20 30 CDEDLO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc(OC)c(C#N)c1 ZINC001152348118 937355103 /nfs/dbraw/zinc/35/51/03/937355103.db2.gz IUFQVSCCTWBNFJ-LBPRGKRZSA-N 1 2 259.309 1.600 20 30 CDEDLO CC[N@H+]1CC[C@H]1C(=O)Nc1ccc(OC)c(C#N)c1 ZINC001152348118 937355107 /nfs/dbraw/zinc/35/51/07/937355107.db2.gz IUFQVSCCTWBNFJ-LBPRGKRZSA-N 1 2 259.309 1.600 20 30 CDEDLO CC[N@H+](Cc1csc(C)n1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152419766 937361107 /nfs/dbraw/zinc/36/11/07/937361107.db2.gz GFJONTXODYXWKR-GHMZBOCLSA-N 1 2 294.424 1.938 20 30 CDEDLO CC[N@@H+](Cc1csc(C)n1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152419766 937361109 /nfs/dbraw/zinc/36/11/09/937361109.db2.gz GFJONTXODYXWKR-GHMZBOCLSA-N 1 2 294.424 1.938 20 30 CDEDLO Cc1nc(C#N)c(N=NC(C)c2ccc(N)[nH+]c2)o1 ZINC000814813649 929849698 /nfs/dbraw/zinc/84/96/98/929849698.db2.gz HUUXRQYCAHNEGD-UHFFFAOYSA-N 1 2 256.269 1.668 20 30 CDEDLO Cc1nc(C#N)cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000882279434 929972289 /nfs/dbraw/zinc/97/22/89/929972289.db2.gz IWJKYNFAWZSYFH-CQSZACIVSA-N 1 2 281.319 1.709 20 30 CDEDLO Cc1nc(N[C@H](C)CN(C)C(=O)C#CC(C)C)cc[nH+]1 ZINC001115716706 937415641 /nfs/dbraw/zinc/41/56/41/937415641.db2.gz XFRTXERAJRIKFE-GFCCVEGCSA-N 1 2 274.368 1.703 20 30 CDEDLO CC(=[NH+]N[C@@H]1CCC[C@H]1O)c1cc(F)c(N)c(F)c1 ZINC000817338845 930507738 /nfs/dbraw/zinc/50/77/38/930507738.db2.gz MAFXCRWXFRMWMX-VXGBXAGGSA-N 1 2 269.295 1.774 20 30 CDEDLO COC(=O)[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)C(C)(C)C ZINC000886076035 930798809 /nfs/dbraw/zinc/79/88/09/930798809.db2.gz JTEZVJGHTAEBCY-RYUDHWBXSA-N 1 2 282.384 1.609 20 30 CDEDLO Cc1cc2c(cc1NC[C@H](O)C[N@H+](C)CCC#N)OCO2 ZINC000819468917 930813041 /nfs/dbraw/zinc/81/30/41/930813041.db2.gz VEYRDUUPRADYRD-LBPRGKRZSA-N 1 2 291.351 1.342 20 30 CDEDLO Cc1cc2c(cc1NC[C@H](O)C[N@@H+](C)CCC#N)OCO2 ZINC000819468917 930813048 /nfs/dbraw/zinc/81/30/48/930813048.db2.gz VEYRDUUPRADYRD-LBPRGKRZSA-N 1 2 291.351 1.342 20 30 CDEDLO CSCc1n[nH]c(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)n1 ZINC000886757457 930954676 /nfs/dbraw/zinc/95/46/76/930954676.db2.gz HTQIMLVQWWMTSW-NXEZZACHSA-N 1 2 265.386 1.840 20 30 CDEDLO CSCc1nnc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)[nH]1 ZINC000886757457 930954683 /nfs/dbraw/zinc/95/46/83/930954683.db2.gz HTQIMLVQWWMTSW-NXEZZACHSA-N 1 2 265.386 1.840 20 30 CDEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1ncc(C)cn1)CC2 ZINC001274441475 931500337 /nfs/dbraw/zinc/50/03/37/931500337.db2.gz CWEHTJQNEGAAPK-CQSZACIVSA-N 1 2 298.390 1.137 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001144075871 931648239 /nfs/dbraw/zinc/64/82/39/931648239.db2.gz ZNUWOQMTYZFKIG-LLVKDONJSA-N 1 2 251.330 1.032 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001144075871 931648243 /nfs/dbraw/zinc/64/82/43/931648243.db2.gz ZNUWOQMTYZFKIG-LLVKDONJSA-N 1 2 251.330 1.032 20 30 CDEDLO C=CCn1cnn(C[N@H+]2CCC[C@](C)(O)CC2)c1=S ZINC001325010298 932220510 /nfs/dbraw/zinc/22/05/10/932220510.db2.gz ABJWBCDGAKTJCT-ZDUSSCGKSA-N 1 2 282.413 1.794 20 30 CDEDLO C=CCn1cnn(C[N@@H+]2CCC[C@](C)(O)CC2)c1=S ZINC001325010298 932220513 /nfs/dbraw/zinc/22/05/13/932220513.db2.gz ABJWBCDGAKTJCT-ZDUSSCGKSA-N 1 2 282.413 1.794 20 30 CDEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1snnc1CC)C2 ZINC001095710523 932756360 /nfs/dbraw/zinc/75/63/60/932756360.db2.gz PSSQJIKOBSDKSP-USWWRNFRSA-N 1 2 292.408 1.622 20 30 CDEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1snnc1CC)C2 ZINC001095710523 932756366 /nfs/dbraw/zinc/75/63/66/932756366.db2.gz PSSQJIKOBSDKSP-USWWRNFRSA-N 1 2 292.408 1.622 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000932165019 933675454 /nfs/dbraw/zinc/67/54/54/933675454.db2.gz GFRQIRZSOKOELI-ZDUSSCGKSA-N 1 2 297.358 1.908 20 30 CDEDLO N#C[C@@H]1CCC[N@H+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000932165019 933675456 /nfs/dbraw/zinc/67/54/56/933675456.db2.gz GFRQIRZSOKOELI-ZDUSSCGKSA-N 1 2 297.358 1.908 20 30 CDEDLO CCOC(=O)CC1CCC(N2CC[NH2+]C[C@@H]2C#N)CC1 ZINC001258030751 934308213 /nfs/dbraw/zinc/30/82/13/934308213.db2.gz AHVHQLRPJDQMMQ-RUXDESIVSA-N 1 2 279.384 1.296 20 30 CDEDLO C=CCNC(=O)CNc1cc(C)[nH+]c(C2CCC2)n1 ZINC001119955030 937767367 /nfs/dbraw/zinc/76/73/67/937767367.db2.gz XVTKEXQBQBPJOZ-UHFFFAOYSA-N 1 2 260.341 1.767 20 30 CDEDLO C=CCCON=C(N)c1cccc(C[NH+]2CCOCC2)c1 ZINC000077239227 934500295 /nfs/dbraw/zinc/50/02/95/934500295.db2.gz GCRIJJFXULMRHR-UHFFFAOYSA-N 1 2 289.379 1.732 20 30 CDEDLO CC(=NNC1=[NH+]C[C@@H](C)N1)c1cc(F)cc(F)c1O ZINC000779792741 934708738 /nfs/dbraw/zinc/70/87/38/934708738.db2.gz SWFYZKLQJZVUEL-ZCFIWIBFSA-N 1 2 268.267 1.332 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001114896418 935298203 /nfs/dbraw/zinc/29/82/03/935298203.db2.gz NHEMAOVDZKHYER-ITGUQSILSA-N 1 2 290.367 1.218 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001114896418 935298206 /nfs/dbraw/zinc/29/82/06/935298206.db2.gz NHEMAOVDZKHYER-ITGUQSILSA-N 1 2 290.367 1.218 20 30 CDEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cc(OCC)no2)C1 ZINC001007959960 935396277 /nfs/dbraw/zinc/39/62/77/935396277.db2.gz FGXPXWDOHNCVAY-LBPRGKRZSA-N 1 2 291.351 1.291 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(OCC)no2)C1 ZINC001007959960 935396284 /nfs/dbraw/zinc/39/62/84/935396284.db2.gz FGXPXWDOHNCVAY-LBPRGKRZSA-N 1 2 291.351 1.291 20 30 CDEDLO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001014430778 935537524 /nfs/dbraw/zinc/53/75/24/935537524.db2.gz GSDHVTVPKWGARJ-CHWSQXEVSA-N 1 2 286.379 1.043 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1 ZINC001017354025 935635353 /nfs/dbraw/zinc/63/53/53/935635353.db2.gz SNCRTCDNAKWBEJ-OKILXGFUSA-N 1 2 258.321 1.592 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1 ZINC001017354025 935635356 /nfs/dbraw/zinc/63/53/56/935635356.db2.gz SNCRTCDNAKWBEJ-OKILXGFUSA-N 1 2 258.321 1.592 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cscn1 ZINC001017410238 935637866 /nfs/dbraw/zinc/63/78/66/935637866.db2.gz WNZCVDXWLNJSMX-TXEJJXNPSA-N 1 2 275.377 1.455 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cscn1 ZINC001017410238 935637868 /nfs/dbraw/zinc/63/78/68/935637868.db2.gz WNZCVDXWLNJSMX-TXEJJXNPSA-N 1 2 275.377 1.455 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(COC)o1 ZINC001017720345 935647500 /nfs/dbraw/zinc/64/75/00/935647500.db2.gz BODOOCSHTBGADE-BETUJISGSA-N 1 2 290.363 1.901 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(COC)o1 ZINC001017720345 935647502 /nfs/dbraw/zinc/64/75/02/935647502.db2.gz BODOOCSHTBGADE-BETUJISGSA-N 1 2 290.363 1.901 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1ncccc1O ZINC001038183168 935736288 /nfs/dbraw/zinc/73/62/88/935736288.db2.gz HAHZQJWGLBGVKY-NSHDSACASA-N 1 2 261.325 1.167 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1ncccc1O ZINC001038183168 935736291 /nfs/dbraw/zinc/73/62/91/935736291.db2.gz HAHZQJWGLBGVKY-NSHDSACASA-N 1 2 261.325 1.167 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2nc(C)oc2c1 ZINC001038367480 935742314 /nfs/dbraw/zinc/74/23/14/935742314.db2.gz PSFKNEBVISZMFO-AWEZNQCLSA-N 1 2 297.358 1.964 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2nc(C)oc2c1 ZINC001038367480 935742315 /nfs/dbraw/zinc/74/23/15/935742315.db2.gz PSFKNEBVISZMFO-AWEZNQCLSA-N 1 2 297.358 1.964 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(C2CC2)o1 ZINC001038353622 935742404 /nfs/dbraw/zinc/74/24/04/935742404.db2.gz GKAVXUCKYHPSNH-GFCCVEGCSA-N 1 2 273.336 1.379 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(C2CC2)o1 ZINC001038353622 935742406 /nfs/dbraw/zinc/74/24/06/935742406.db2.gz GKAVXUCKYHPSNH-GFCCVEGCSA-N 1 2 273.336 1.379 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(OC)c(F)c2)C1 ZINC001042979944 935831896 /nfs/dbraw/zinc/83/18/96/935831896.db2.gz OXOBAFZDMJPBAU-UHFFFAOYSA-N 1 2 290.338 1.614 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001043139917 935834110 /nfs/dbraw/zinc/83/41/10/935834110.db2.gz JHAUSIHYCFRQFA-CYBMUJFWSA-N 1 2 288.395 1.164 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CC[C@@H](F)C2)C1 ZINC001043660871 935841872 /nfs/dbraw/zinc/84/18/72/935841872.db2.gz UFTVZVMGSYSDIY-NWDGAFQWSA-N 1 2 254.349 1.843 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001044180410 935853999 /nfs/dbraw/zinc/85/39/99/935853999.db2.gz IZXJDSRSDUZQEW-GFCCVEGCSA-N 1 2 288.395 1.233 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001044392542 935860207 /nfs/dbraw/zinc/86/02/07/935860207.db2.gz CNANCBHTDOHVOR-GFCCVEGCSA-N 1 2 276.384 1.242 20 30 CDEDLO N#Cc1cccc([C@@H](O)C[N@@H+]2CCN3C[C@@H](F)C[C@H]3C2)c1 ZINC001413083084 935894335 /nfs/dbraw/zinc/89/43/35/935894335.db2.gz LXVOKXFZRHTFOF-JYJNAYRXSA-N 1 2 289.354 1.320 20 30 CDEDLO N#Cc1cccc([C@@H](O)C[N@H+]2CCN3C[C@@H](F)C[C@H]3C2)c1 ZINC001413083084 935894339 /nfs/dbraw/zinc/89/43/39/935894339.db2.gz LXVOKXFZRHTFOF-JYJNAYRXSA-N 1 2 289.354 1.320 20 30 CDEDLO C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCc3cn[nH]c32)C1 ZINC001046319407 935941109 /nfs/dbraw/zinc/94/11/09/935941109.db2.gz RINUQVJZHUPWKO-XJKSGUPXSA-N 1 2 288.395 1.596 20 30 CDEDLO C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCc3cn[nH]c32)C1 ZINC001046319407 935941110 /nfs/dbraw/zinc/94/11/10/935941110.db2.gz RINUQVJZHUPWKO-XJKSGUPXSA-N 1 2 288.395 1.596 20 30 CDEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2Cl)C1 ZINC001047388554 936001932 /nfs/dbraw/zinc/00/19/32/936001932.db2.gz AUFIEAHOYXSQRW-QWRGUYRKSA-N 1 2 298.795 1.152 20 30 CDEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2Cl)C1 ZINC001047388554 936001933 /nfs/dbraw/zinc/00/19/33/936001933.db2.gz AUFIEAHOYXSQRW-QWRGUYRKSA-N 1 2 298.795 1.152 20 30 CDEDLO Cn1c[nH+]cc1CCCOC(=O)c1ccc(C#N)[nH]1 ZINC001123066367 936110822 /nfs/dbraw/zinc/11/08/22/936110822.db2.gz SUKTUYOAKOBKPS-UHFFFAOYSA-N 1 2 258.281 1.409 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCO1)C2 ZINC001096770548 936220500 /nfs/dbraw/zinc/22/05/00/936220500.db2.gz NLIPEUSOBREERC-NDBYEHHHSA-N 1 2 284.787 1.639 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCO1)C2 ZINC001096770548 936220505 /nfs/dbraw/zinc/22/05/05/936220505.db2.gz NLIPEUSOBREERC-NDBYEHHHSA-N 1 2 284.787 1.639 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097174795 936278426 /nfs/dbraw/zinc/27/84/26/936278426.db2.gz SFCATLDDVAWAFF-TYNCELHUSA-N 1 2 290.367 1.171 20 30 CDEDLO Cc1nc(N2CCC[C@@H](CNC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001097302989 936289549 /nfs/dbraw/zinc/28/95/49/936289549.db2.gz PMHCNEBKZFKMTK-HNNXBMFYSA-N 1 2 298.390 1.531 20 30 CDEDLO N#CCc1cc[nH+]c(NCCNC(=O)c2ccncc2)c1 ZINC001156029828 938312236 /nfs/dbraw/zinc/31/22/36/938312236.db2.gz HQWVEOTYTGBQDQ-UHFFFAOYSA-N 1 2 281.319 1.385 20 30 CDEDLO COc1nc(N2CC[NH2+]C[C@@H]2C#N)ccc1Cl ZINC001156328050 938350041 /nfs/dbraw/zinc/35/00/41/938350041.db2.gz ZNEUYZBNDKVGJA-QMMMGPOBSA-N 1 2 252.705 1.045 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnn3cc(F)ccc23)CC1 ZINC001156931448 938436144 /nfs/dbraw/zinc/43/61/44/938436144.db2.gz QYZJZYCIDAULFI-UHFFFAOYSA-N 1 2 288.326 1.417 20 30 CDEDLO COC(=O)C1(C#N)CCN(c2cc(N)cc(Cl)[nH+]2)CC1 ZINC001158690331 938650621 /nfs/dbraw/zinc/65/06/21/938650621.db2.gz KOBJKURLADEEQC-UHFFFAOYSA-N 1 2 294.742 1.600 20 30 CDEDLO Cc1cc(N2CC([N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)ncc1C#N ZINC001158716969 938655934 /nfs/dbraw/zinc/65/59/34/938655934.db2.gz MTINEEZFWPPOIX-BETUJISGSA-N 1 2 286.379 1.560 20 30 CDEDLO Cc1cc(N2CC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)ncc1C#N ZINC001158716969 938655938 /nfs/dbraw/zinc/65/59/38/938655938.db2.gz MTINEEZFWPPOIX-BETUJISGSA-N 1 2 286.379 1.560 20 30 CDEDLO C=CCC(F)(F)C(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001159098583 938702099 /nfs/dbraw/zinc/70/20/99/938702099.db2.gz QWSHEIUZHBPLAD-UWVGGRQHSA-N 1 2 262.275 1.452 20 30 CDEDLO C=CCC(F)(F)C(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001159098583 938702101 /nfs/dbraw/zinc/70/21/01/938702101.db2.gz QWSHEIUZHBPLAD-UWVGGRQHSA-N 1 2 262.275 1.452 20 30 CDEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1cc(N2CCCCC2)nc[nH+]1 ZINC001160176513 938773717 /nfs/dbraw/zinc/77/37/17/938773717.db2.gz WCDBKNRQQRFRNY-GWCFXTLKSA-N 1 2 291.355 1.115 20 30 CDEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1cc(N2CCCCC2)[nH+]cn1 ZINC001160176513 938773720 /nfs/dbraw/zinc/77/37/20/938773720.db2.gz WCDBKNRQQRFRNY-GWCFXTLKSA-N 1 2 291.355 1.115 20 30 CDEDLO C#CCC[N@H+]1CC=C(CCNC(=O)c2[nH]ncc2F)CC1 ZINC001161148456 938876579 /nfs/dbraw/zinc/87/65/79/938876579.db2.gz LETCJFRSDHVHPJ-UHFFFAOYSA-N 1 2 290.342 1.324 20 30 CDEDLO C#CCC[N@@H+]1CC=C(CCNC(=O)c2[nH]ncc2F)CC1 ZINC001161148456 938876580 /nfs/dbraw/zinc/87/65/80/938876580.db2.gz LETCJFRSDHVHPJ-UHFFFAOYSA-N 1 2 290.342 1.324 20 30 CDEDLO N#Cc1ncc(NCc2c[nH+]cn2CC2CCC2)nc1C#N ZINC001161535535 938909153 /nfs/dbraw/zinc/90/91/53/938909153.db2.gz DSHHSJQCUUNMIH-UHFFFAOYSA-N 1 2 293.334 1.829 20 30 CDEDLO C[NH+]1CCN(C(=O)c2ccnc(NC3(C#N)CCC3)c2)CC1 ZINC001162308311 938977466 /nfs/dbraw/zinc/97/74/66/938977466.db2.gz CRSRROZPKRAJSY-UHFFFAOYSA-N 1 2 299.378 1.327 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNc2cc(C3(C#N)CC3)ccn2)C1 ZINC001162684181 939117194 /nfs/dbraw/zinc/11/71/94/939117194.db2.gz SKWXRAXUTPHZEK-CYBMUJFWSA-N 1 2 272.352 1.379 20 30 CDEDLO C[N@H+]1CCO[C@H](CNc2cc(C3(C#N)CC3)ccn2)C1 ZINC001162684181 939117196 /nfs/dbraw/zinc/11/71/96/939117196.db2.gz SKWXRAXUTPHZEK-CYBMUJFWSA-N 1 2 272.352 1.379 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2ncc3ccccc3c2C#N)C[NH2+]1 ZINC001164301533 939449036 /nfs/dbraw/zinc/44/90/36/939449036.db2.gz CFKOFKMEFRWJKU-FZMZJTMJSA-N 1 2 296.330 1.422 20 30 CDEDLO C=CCNC(=O)c1cccnc1N1CC[NH2+]CC(F)(F)C1 ZINC001164497053 939479283 /nfs/dbraw/zinc/47/92/83/939479283.db2.gz BNIRHVYADNNNLJ-UHFFFAOYSA-N 1 2 296.321 1.042 20 30 CDEDLO COc1cc(C)c2ncnc(N3CC[NH2+]C[C@H]3C#N)c2c1 ZINC001164675397 939503419 /nfs/dbraw/zinc/50/34/19/939503419.db2.gz IKFAFYHDFHDDMT-LLVKDONJSA-N 1 2 283.335 1.249 20 30 CDEDLO Cc1ccc(N2CC([N@@H+]3CCOC(C)(C)C3)C2)nc1C#N ZINC001165131241 939515340 /nfs/dbraw/zinc/51/53/40/939515340.db2.gz MFGMDBUHRFNVAJ-UHFFFAOYSA-N 1 2 286.379 1.561 20 30 CDEDLO Cc1ccc(N2CC([N@H+]3CCOC(C)(C)C3)C2)nc1C#N ZINC001165131241 939515341 /nfs/dbraw/zinc/51/53/41/939515341.db2.gz MFGMDBUHRFNVAJ-UHFFFAOYSA-N 1 2 286.379 1.561 20 30 CDEDLO N#CCc1cc[nH+]c(N2CCC3(CCCNC3=O)CC2)c1 ZINC001166820470 939641657 /nfs/dbraw/zinc/64/16/57/939641657.db2.gz LWIWHFJSQOOISM-UHFFFAOYSA-N 1 2 284.363 1.644 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC(=O)NC3(CCCC3)C2)c1 ZINC001203764649 939703011 /nfs/dbraw/zinc/70/30/11/939703011.db2.gz KCWPXIRVZYFITN-UHFFFAOYSA-N 1 2 269.348 1.803 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC(=O)NC3(CCCC3)C2)c1 ZINC001203764649 939703012 /nfs/dbraw/zinc/70/30/12/939703012.db2.gz KCWPXIRVZYFITN-UHFFFAOYSA-N 1 2 269.348 1.803 20 30 CDEDLO CC(=O)N1CCC(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001208675328 940368175 /nfs/dbraw/zinc/36/81/75/940368175.db2.gz KWJRGDPBHVNRIH-CQSZACIVSA-N 1 2 294.420 1.519 20 30 CDEDLO CC(=O)N1CCC(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001208675328 940368177 /nfs/dbraw/zinc/36/81/77/940368177.db2.gz KWJRGDPBHVNRIH-CQSZACIVSA-N 1 2 294.420 1.519 20 30 CDEDLO C=CCC[C@@H](C)[NH+]1CC2(C1)[C@@H](CF)CCS2(=O)=O ZINC001258732535 945395315 /nfs/dbraw/zinc/39/53/15/945395315.db2.gz MXHXEWXWULHKQQ-VXGBXAGGSA-N 1 2 275.389 1.800 20 30 CDEDLO N#Cc1cc(Nc2ccc(N3CC[C@H](O)C3)[nH+]c2)ccc1O ZINC001210530923 940696934 /nfs/dbraw/zinc/69/69/34/940696934.db2.gz PSCLHILDFZYHOL-AWEZNQCLSA-N 1 2 296.330 1.973 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CC=C)CCC2)[C@H](OC)C1 ZINC001213383225 940771732 /nfs/dbraw/zinc/77/17/32/940771732.db2.gz WZKCHAIPBLWCGX-ZIAGYGMSSA-N 1 2 276.380 1.181 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CC=C)CCC2)[C@H](OC)C1 ZINC001213383225 940771735 /nfs/dbraw/zinc/77/17/35/940771735.db2.gz WZKCHAIPBLWCGX-ZIAGYGMSSA-N 1 2 276.380 1.181 20 30 CDEDLO C=CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CC)no2)C1 ZINC001214306019 940814781 /nfs/dbraw/zinc/81/47/81/940814781.db2.gz RKGTXYVWUSPTQO-VXGBXAGGSA-N 1 2 292.383 1.535 20 30 CDEDLO C#Cc1cc(Nc2ccc(C(=O)NCC)cc2OC)cc[nH+]1 ZINC001215618621 940897665 /nfs/dbraw/zinc/89/76/65/940897665.db2.gz YJMLJDMCJAVPPA-UHFFFAOYSA-N 1 2 295.342 1.987 20 30 CDEDLO N#Cc1cc(F)cc(C[NH+]2CC3(C[C@@H]3C(N)=O)C2)c1 ZINC001277126337 941999761 /nfs/dbraw/zinc/99/97/61/941999761.db2.gz AHWLGKSLJDEANH-GFCCVEGCSA-N 1 2 259.284 1.005 20 30 CDEDLO Cc1cc(OC[C@H]2C[N@H+](C)CCO2)cc(C)c1C#N ZINC001226833725 942080490 /nfs/dbraw/zinc/08/04/90/942080490.db2.gz KSFGCUDUPOIDCP-CQSZACIVSA-N 1 2 260.337 1.885 20 30 CDEDLO Cc1cc(OC[C@H]2C[N@@H+](C)CCO2)cc(C)c1C#N ZINC001226833725 942080501 /nfs/dbraw/zinc/08/05/01/942080501.db2.gz KSFGCUDUPOIDCP-CQSZACIVSA-N 1 2 260.337 1.885 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001227232301 942154619 /nfs/dbraw/zinc/15/46/19/942154619.db2.gz AHDYLOINNVNCAN-UHFFFAOYSA-N 1 2 266.772 1.733 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2cccc(C#N)c2Cl)C1 ZINC001229071623 942414046 /nfs/dbraw/zinc/41/40/46/942414046.db2.gz ZATFFFACRWZJIO-LLVKDONJSA-N 1 2 266.728 1.921 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2cccc(C#N)c2Cl)C1 ZINC001229071623 942414047 /nfs/dbraw/zinc/41/40/47/942414047.db2.gz ZATFFFACRWZJIO-LLVKDONJSA-N 1 2 266.728 1.921 20 30 CDEDLO Cn1c(C#N)ccc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001280275205 942426943 /nfs/dbraw/zinc/42/69/43/942426943.db2.gz BWIWHNMYTBBGEW-UHFFFAOYSA-N 1 2 265.276 1.797 20 30 CDEDLO C/C(=N\O)c1ccccc1O[C@H](C)C[NH+]1CCOCC1 ZINC001229737089 942522566 /nfs/dbraw/zinc/52/25/66/942522566.db2.gz PIDYWMKFYYQROI-SIOXIVGBSA-N 1 2 278.352 1.984 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CC1CC1 ZINC001230595216 942653322 /nfs/dbraw/zinc/65/33/22/942653322.db2.gz NRSKCBSKOQVJQK-OCCSQVGLSA-N 1 2 293.411 1.010 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC1CC1 ZINC001230595216 942653326 /nfs/dbraw/zinc/65/33/26/942653326.db2.gz NRSKCBSKOQVJQK-OCCSQVGLSA-N 1 2 293.411 1.010 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccs1 ZINC001230646822 942666757 /nfs/dbraw/zinc/66/67/57/942666757.db2.gz XCMBSIGNNHZAGV-ZDUSSCGKSA-N 1 2 292.404 1.544 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccs1 ZINC001230646822 942666764 /nfs/dbraw/zinc/66/67/64/942666764.db2.gz XCMBSIGNNHZAGV-ZDUSSCGKSA-N 1 2 292.404 1.544 20 30 CDEDLO CC[C@@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001230810111 942705552 /nfs/dbraw/zinc/70/55/52/942705552.db2.gz JKOWZMYHGJDZOI-ZIAGYGMSSA-N 1 2 266.385 1.215 20 30 CDEDLO CC[C@@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001230810111 942705556 /nfs/dbraw/zinc/70/55/56/942705556.db2.gz JKOWZMYHGJDZOI-ZIAGYGMSSA-N 1 2 266.385 1.215 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001231247222 942832464 /nfs/dbraw/zinc/83/24/64/942832464.db2.gz LUZDZUKGSFVNIL-DOTOQJQBSA-N 1 2 295.386 1.730 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001231247222 942832468 /nfs/dbraw/zinc/83/24/68/942832468.db2.gz LUZDZUKGSFVNIL-DOTOQJQBSA-N 1 2 295.386 1.730 20 30 CDEDLO COc1cc(C[N@@H+]2CCC[C@@H](C#N)C2)c(O)cc1O ZINC001231637431 942954402 /nfs/dbraw/zinc/95/44/02/942954402.db2.gz MNEHRQYXXLNGPY-JTQLQIEISA-N 1 2 262.309 1.842 20 30 CDEDLO COc1cc(C[N@H+]2CCC[C@@H](C#N)C2)c(O)cc1O ZINC001231637431 942954405 /nfs/dbraw/zinc/95/44/05/942954405.db2.gz MNEHRQYXXLNGPY-JTQLQIEISA-N 1 2 262.309 1.842 20 30 CDEDLO COc1ncnc(OC)c1C[NH+]1CCC(S)CC1 ZINC001232518210 943315483 /nfs/dbraw/zinc/31/54/83/943315483.db2.gz VYHVSXCGPHRBBI-UHFFFAOYSA-N 1 2 269.370 1.388 20 30 CDEDLO N#Cc1ccc(CN2CCc3[nH+]ccn3CC2)s1 ZINC001232845938 943418902 /nfs/dbraw/zinc/41/89/02/943418902.db2.gz YZZHJVUWAQPFBM-UHFFFAOYSA-N 1 2 258.350 1.875 20 30 CDEDLO CCN1C[C@@H](C)[N@H+](Cc2ccc(C#N)cc2O)CC1=O ZINC001233387362 943572735 /nfs/dbraw/zinc/57/27/35/943572735.db2.gz GEJFGDAHSNZNBM-LLVKDONJSA-N 1 2 273.336 1.316 20 30 CDEDLO CCN1C[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2O)CC1=O ZINC001233387362 943572740 /nfs/dbraw/zinc/57/27/40/943572740.db2.gz GEJFGDAHSNZNBM-LLVKDONJSA-N 1 2 273.336 1.316 20 30 CDEDLO Cn1ncc2c1C[N@H+](Cc1ccc(C#N)cc1O)CC2 ZINC001233387624 943574293 /nfs/dbraw/zinc/57/42/93/943574293.db2.gz QHQKJCJXRREHRZ-UHFFFAOYSA-N 1 2 268.320 1.556 20 30 CDEDLO Cn1ncc2c1C[N@@H+](Cc1ccc(C#N)cc1O)CC2 ZINC001233387624 943574295 /nfs/dbraw/zinc/57/42/95/943574295.db2.gz QHQKJCJXRREHRZ-UHFFFAOYSA-N 1 2 268.320 1.556 20 30 CDEDLO CC(C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2O)CC1 ZINC001233388317 943575067 /nfs/dbraw/zinc/57/50/67/943575067.db2.gz VCYXSGFADBSBNM-UHFFFAOYSA-N 1 2 287.363 1.564 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCCNC(=O)CCCC(C)=O ZINC001233904737 943687697 /nfs/dbraw/zinc/68/76/97/943687697.db2.gz RRPKFYDCDWITQP-UHFFFAOYSA-N 1 2 274.792 1.936 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCCNC(=O)CCCC(C)=O ZINC001233904737 943687698 /nfs/dbraw/zinc/68/76/98/943687698.db2.gz RRPKFYDCDWITQP-UHFFFAOYSA-N 1 2 274.792 1.936 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc3cc(C#N)[nH]c3c2)C[N@@H+]1C ZINC001233994270 943708398 /nfs/dbraw/zinc/70/83/98/943708398.db2.gz ONAMRTAXBPIHRH-HIFRSBDPSA-N 1 2 299.330 1.664 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc3cc(C#N)[nH]c3c2)C[N@H+]1C ZINC001233994270 943708405 /nfs/dbraw/zinc/70/84/05/943708405.db2.gz ONAMRTAXBPIHRH-HIFRSBDPSA-N 1 2 299.330 1.664 20 30 CDEDLO Cc1ncc(C[N@H+]2CC[C@@H]2CN(C)C(=O)C#CC(C)C)o1 ZINC001234163064 943760785 /nfs/dbraw/zinc/76/07/85/943760785.db2.gz XFOYUOCHMMSWSM-CQSZACIVSA-N 1 2 289.379 1.675 20 30 CDEDLO Cc1ncc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)C#CC(C)C)o1 ZINC001234163064 943760788 /nfs/dbraw/zinc/76/07/88/943760788.db2.gz XFOYUOCHMMSWSM-CQSZACIVSA-N 1 2 289.379 1.675 20 30 CDEDLO CC(C)[N@@H+]1CCC[C@H]1C(=O)C(C#N)C(=O)NC1CCCC1 ZINC001263314599 943826315 /nfs/dbraw/zinc/82/63/15/943826315.db2.gz WLJWDICRMWZTHZ-KGLIPLIRSA-N 1 2 291.395 1.627 20 30 CDEDLO CC(C)[N@H+]1CCC[C@H]1C(=O)C(C#N)C(=O)NC1CCCC1 ZINC001263314599 943826317 /nfs/dbraw/zinc/82/63/17/943826317.db2.gz WLJWDICRMWZTHZ-KGLIPLIRSA-N 1 2 291.395 1.627 20 30 CDEDLO CC(C)[N@@H+]1CCC[C@H]1C(=O)[C@@H](C#N)C(=O)NC1CCCC1 ZINC001263314599 943826320 /nfs/dbraw/zinc/82/63/20/943826320.db2.gz WLJWDICRMWZTHZ-KGLIPLIRSA-N 1 2 291.395 1.627 20 30 CDEDLO CC(C)[N@H+]1CCC[C@H]1C(=O)[C@@H](C#N)C(=O)NC1CCCC1 ZINC001263314599 943826323 /nfs/dbraw/zinc/82/63/23/943826323.db2.gz WLJWDICRMWZTHZ-KGLIPLIRSA-N 1 2 291.395 1.627 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Oc1nc2cc(C#N)ccc2o1 ZINC001234457420 943846416 /nfs/dbraw/zinc/84/64/16/943846416.db2.gz VQVWWLSVVJQHHS-LLVKDONJSA-N 1 2 287.319 1.799 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc4sccc4[nH]3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234847367 943959026 /nfs/dbraw/zinc/95/90/26/943959026.db2.gz IEGWJVAJNATTAG-FRQULTQSSA-N 1 2 277.349 1.616 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc4sccc4[nH]3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234847367 943959030 /nfs/dbraw/zinc/95/90/30/943959030.db2.gz IEGWJVAJNATTAG-FRQULTQSSA-N 1 2 277.349 1.616 20 30 CDEDLO CCn1ccnc1C[N@@H+]1C[C@H]2C[C@@H](C1)N(CCC#N)C2 ZINC001277938861 944132499 /nfs/dbraw/zinc/13/24/99/944132499.db2.gz GUIRQFIBEJXABS-KGLIPLIRSA-N 1 2 273.384 1.323 20 30 CDEDLO CCn1ccnc1C[N@H+]1C[C@H]2C[C@@H](C1)N(CCC#N)C2 ZINC001277938861 944132500 /nfs/dbraw/zinc/13/25/00/944132500.db2.gz GUIRQFIBEJXABS-KGLIPLIRSA-N 1 2 273.384 1.323 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C1CCC1 ZINC001235739808 944262534 /nfs/dbraw/zinc/26/25/34/944262534.db2.gz BMJNQSZRTDGACL-ZBFHGGJFSA-N 1 2 292.423 1.605 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C1CCC1 ZINC001235739808 944262539 /nfs/dbraw/zinc/26/25/39/944262539.db2.gz BMJNQSZRTDGACL-ZBFHGGJFSA-N 1 2 292.423 1.605 20 30 CDEDLO Cc1cccnc1N1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC001237459478 944792489 /nfs/dbraw/zinc/79/24/89/944792489.db2.gz RAKUSMJVXLVAQD-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO Cn1cc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)c2cc(C#N)ccc21 ZINC001237467481 944799365 /nfs/dbraw/zinc/79/93/65/944799365.db2.gz VUVFFYXXMBFRCR-GDBMZVCRSA-N 1 2 287.338 1.955 20 30 CDEDLO Cn1cc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)c2cc(C#N)ccc21 ZINC001237467481 944799370 /nfs/dbraw/zinc/79/93/70/944799370.db2.gz VUVFFYXXMBFRCR-GDBMZVCRSA-N 1 2 287.338 1.955 20 30 CDEDLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237525215 944824590 /nfs/dbraw/zinc/82/45/90/944824590.db2.gz PVLJTXYTJXRCIN-LDYMZIIASA-N 1 2 252.264 1.792 20 30 CDEDLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237525215 944824592 /nfs/dbraw/zinc/82/45/92/944824592.db2.gz PVLJTXYTJXRCIN-LDYMZIIASA-N 1 2 252.264 1.792 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccnc(OC(F)F)c2)CC1 ZINC001237623220 944892992 /nfs/dbraw/zinc/89/29/92/944892992.db2.gz ZPSILSNQLPZUMI-UHFFFAOYSA-N 1 2 281.306 1.434 20 30 CDEDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2[C@H]1CC[C@H](C#N)C1 ZINC001254671103 947586722 /nfs/dbraw/zinc/58/67/22/947586722.db2.gz OTYFWNWDHRJDII-YHQUGGNUSA-N 1 2 278.352 1.331 20 30 CDEDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@H+]2[C@H]1CC[C@H](C#N)C1 ZINC001254671103 947586732 /nfs/dbraw/zinc/58/67/32/947586732.db2.gz OTYFWNWDHRJDII-YHQUGGNUSA-N 1 2 278.352 1.331 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@H](Oc2ncncc2C)C1 ZINC001255177163 947766752 /nfs/dbraw/zinc/76/67/52/947766752.db2.gz NXGXNEABCWUOSM-STQMWFEESA-N 1 2 260.341 1.930 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CC[C@H](Oc2ncncc2C)C1 ZINC001255177163 947766759 /nfs/dbraw/zinc/76/67/59/947766759.db2.gz NXGXNEABCWUOSM-STQMWFEESA-N 1 2 260.341 1.930 20 30 CDEDLO CCc1cc(C#N)ccc1C[N@H+]1CC(=O)N2CCC[C@@H]2C1 ZINC001248751704 949118750 /nfs/dbraw/zinc/11/87/50/949118750.db2.gz HEBDPGQQDDDFQQ-MRXNPFEDSA-N 1 2 283.375 1.927 20 30 CDEDLO CCc1cc(C#N)ccc1C[N@@H+]1CC(=O)N2CCC[C@@H]2C1 ZINC001248751704 949118761 /nfs/dbraw/zinc/11/87/61/949118761.db2.gz HEBDPGQQDDDFQQ-MRXNPFEDSA-N 1 2 283.375 1.927 20 30 CDEDLO N#Cc1ccc2cc(C[N@H+]3CC[C@](F)(CO)C3)[nH]c2c1 ZINC001249426300 949595228 /nfs/dbraw/zinc/59/52/28/949595228.db2.gz LQSIZNGLALTURK-OAHLLOKOSA-N 1 2 273.311 1.946 20 30 CDEDLO N#Cc1ccc2cc(C[N@@H+]3CC[C@](F)(CO)C3)[nH]c2c1 ZINC001249426300 949595242 /nfs/dbraw/zinc/59/52/42/949595242.db2.gz LQSIZNGLALTURK-OAHLLOKOSA-N 1 2 273.311 1.946 20 30 CDEDLO N#Cc1cccc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)c1F ZINC001249687912 949753071 /nfs/dbraw/zinc/75/30/71/949753071.db2.gz SSMSERCVOHWVNG-ZDUSSCGKSA-N 1 2 277.318 1.925 20 30 CDEDLO N#Cc1cccc(CN2CC([N@H+]3CC[C@H](F)C3)C2)c1F ZINC001249687912 949753087 /nfs/dbraw/zinc/75/30/87/949753087.db2.gz SSMSERCVOHWVNG-ZDUSSCGKSA-N 1 2 277.318 1.925 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@@H](O)COc1ccc(F)cc1F ZINC001250848259 950426709 /nfs/dbraw/zinc/42/67/09/950426709.db2.gz ALEVOJJOADJMFI-GFCCVEGCSA-N 1 2 284.306 1.940 20 30 CDEDLO CC[N@H+](CCC#N)C[C@@H](O)COc1ccc(F)cc1F ZINC001250848259 950426698 /nfs/dbraw/zinc/42/66/98/950426698.db2.gz ALEVOJJOADJMFI-GFCCVEGCSA-N 1 2 284.306 1.940 20 30 CDEDLO N#Cc1cnc(C[NH2+]C[C@@H](O)C(F)(F)F)s1 ZINC001250992413 950538956 /nfs/dbraw/zinc/53/89/56/950538956.db2.gz GZDZEJRFCXLIDM-ZCFIWIBFSA-N 1 2 251.233 1.028 20 30 CDEDLO C#CCOC[C@@H](O)CNc1cc2ccccc2c[nH+]1 ZINC001251826798 950853462 /nfs/dbraw/zinc/85/34/62/950853462.db2.gz UOFNAJZMLCOSEK-AWEZNQCLSA-N 1 2 256.305 1.657 20 30 CDEDLO N#C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC001251929921 950967930 /nfs/dbraw/zinc/96/79/30/950967930.db2.gz MTOLNUOTJJREBJ-DGCLKSJQSA-N 1 2 264.300 1.411 20 30 CDEDLO N#C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC001251929921 950967943 /nfs/dbraw/zinc/96/79/43/950967943.db2.gz MTOLNUOTJJREBJ-DGCLKSJQSA-N 1 2 264.300 1.411 20 30 CDEDLO C=C[C@@](C)(O)C[N@@H+]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC001252556345 951449672 /nfs/dbraw/zinc/44/96/72/951449672.db2.gz CHGOJSQHPRATAZ-LLVKDONJSA-N 1 2 275.274 1.724 20 30 CDEDLO C=C[C@@](C)(O)C[N@H+]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC001252556345 951449678 /nfs/dbraw/zinc/44/96/78/951449678.db2.gz CHGOJSQHPRATAZ-LLVKDONJSA-N 1 2 275.274 1.724 20 30 CDEDLO COc1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](C#N)C2)c1 ZINC001253958325 952163060 /nfs/dbraw/zinc/16/30/60/952163060.db2.gz ZBPYIHOZQAYFMX-CHWSQXEVSA-N 1 2 276.336 1.280 20 30 CDEDLO COc1cccc(OC[C@H](O)C[N@H+]2CC[C@H](C#N)C2)c1 ZINC001253958325 952163064 /nfs/dbraw/zinc/16/30/64/952163064.db2.gz ZBPYIHOZQAYFMX-CHWSQXEVSA-N 1 2 276.336 1.280 20 30 CDEDLO CCc1[nH]c(CNS(=O)(=O)CC2(CC#N)CC2)c[nH+]1 ZINC001365468115 956060805 /nfs/dbraw/zinc/06/08/05/956060805.db2.gz HGSAVOLOZBNCDI-UHFFFAOYSA-N 1 2 282.369 1.085 20 30 CDEDLO CCc1[nH]cc(CNS(=O)(=O)CC2(CC#N)CC2)[nH+]1 ZINC001365468115 956060816 /nfs/dbraw/zinc/06/08/16/956060816.db2.gz HGSAVOLOZBNCDI-UHFFFAOYSA-N 1 2 282.369 1.085 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC001365688867 956298513 /nfs/dbraw/zinc/29/85/13/956298513.db2.gz VQQUCRCQGUIWJO-AWEZNQCLSA-N 1 2 297.402 1.979 20 30 CDEDLO C#CCOCC[N@@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC001307881811 956450998 /nfs/dbraw/zinc/45/09/98/956450998.db2.gz HSWAPFJSHZHQIO-QWRGUYRKSA-N 1 2 292.301 1.168 20 30 CDEDLO C#CCOCC[N@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC001307881811 956450994 /nfs/dbraw/zinc/45/09/94/956450994.db2.gz HSWAPFJSHZHQIO-QWRGUYRKSA-N 1 2 292.301 1.168 20 30 CDEDLO N#Cc1csc(C[NH2+]Cc2ccnc(-n3cncn3)c2)n1 ZINC001308489171 956535039 /nfs/dbraw/zinc/53/50/39/956535039.db2.gz NNYYISWZXYXDFX-UHFFFAOYSA-N 1 2 297.347 1.280 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccccc2F)CC1 ZINC001313444272 956861288 /nfs/dbraw/zinc/86/12/88/956861288.db2.gz BHDVECDOQFEWHZ-CYBMUJFWSA-N 1 2 292.354 1.923 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCCN2C(=O)CC)CC1 ZINC001313445502 956866209 /nfs/dbraw/zinc/86/62/09/956866209.db2.gz WYEVEALJKFJUQH-CQSZACIVSA-N 1 2 293.411 1.108 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cc(OC)ncn1 ZINC001368939397 959298694 /nfs/dbraw/zinc/29/86/94/959298694.db2.gz IVZCXKDEMRFXFU-SNVBAGLBSA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cc(OC)ncn1 ZINC001368939397 959298715 /nfs/dbraw/zinc/29/87/15/959298715.db2.gz IVZCXKDEMRFXFU-SNVBAGLBSA-N 1 2 298.774 1.288 20 30 CDEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1cnccn1 ZINC001322819606 960330975 /nfs/dbraw/zinc/33/09/75/960330975.db2.gz JXHORTOHUGYQRR-AATRIKPKSA-N 1 2 254.293 1.834 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001337768793 961413129 /nfs/dbraw/zinc/41/31/29/961413129.db2.gz ZGGMVGXBKAJNOS-LBPRGKRZSA-N 1 2 275.352 1.164 20 30 CDEDLO C=CCN(C)c1nnc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1C ZINC001340143355 962772791 /nfs/dbraw/zinc/77/27/91/962772791.db2.gz XZRUOUMUVGASMC-CHWSQXEVSA-N 1 2 291.399 1.363 20 30 CDEDLO C=CCN(C)c1nnc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)n1C ZINC001340143355 962772803 /nfs/dbraw/zinc/77/28/03/962772803.db2.gz XZRUOUMUVGASMC-CHWSQXEVSA-N 1 2 291.399 1.363 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc(CC)n(C)n1 ZINC001437649879 963092607 /nfs/dbraw/zinc/09/26/07/963092607.db2.gz BNBXHONUYCDULD-UHFFFAOYSA-N 1 2 298.818 1.787 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc(CC)n(C)n1 ZINC001437649879 963092615 /nfs/dbraw/zinc/09/26/15/963092615.db2.gz BNBXHONUYCDULD-UHFFFAOYSA-N 1 2 298.818 1.787 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCc1cnccn1 ZINC001438923991 963602752 /nfs/dbraw/zinc/60/27/52/963602752.db2.gz RWAOPBOURCFRLV-UHFFFAOYSA-N 1 2 296.802 1.552 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCc1cnccn1 ZINC001438923991 963602758 /nfs/dbraw/zinc/60/27/58/963602758.db2.gz RWAOPBOURCFRLV-UHFFFAOYSA-N 1 2 296.802 1.552 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)NCc1cc[nH+]c(NCC)c1 ZINC001346203493 964985298 /nfs/dbraw/zinc/98/52/98/964985298.db2.gz VQJIHYOWHKDEDX-NSHDSACASA-N 1 2 260.341 1.677 20 30 CDEDLO C=C(CC(C)C)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC001346788171 965254721 /nfs/dbraw/zinc/25/47/21/965254721.db2.gz FBMABQRJAGSMNT-OAHLLOKOSA-N 1 2 280.412 1.912 20 30 CDEDLO C#CCCOc1ccc(C(=O)NCCc2[nH+]ccn2C)cc1 ZINC001347736447 965677234 /nfs/dbraw/zinc/67/72/34/965677234.db2.gz ZTMAYKVAORPHRV-UHFFFAOYSA-N 1 2 297.358 1.795 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccn(CC)n1 ZINC001445809406 966345147 /nfs/dbraw/zinc/34/51/47/966345147.db2.gz HQHYNOIBACUBIL-NSHDSACASA-N 1 2 284.791 1.706 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccn(CC)n1 ZINC001445809406 966345156 /nfs/dbraw/zinc/34/51/56/966345156.db2.gz HQHYNOIBACUBIL-NSHDSACASA-N 1 2 284.791 1.706 20 30 CDEDLO Cc1cc(N(C)CCNC(=O)[C@@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001100004672 967188405 /nfs/dbraw/zinc/18/84/05/967188405.db2.gz AEDIQBKNYRSEDZ-NSHDSACASA-N 1 2 289.383 1.621 20 30 CDEDLO N#Cc1ncn(-c2ccccc2NC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001450841941 967807227 /nfs/dbraw/zinc/80/72/27/967807227.db2.gz NWBGAHYWLGYIFX-UHFFFAOYSA-N 1 2 293.290 1.043 20 30 CDEDLO C=C(Cl)Cn1c(C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001460366104 969501296 /nfs/dbraw/zinc/50/12/96/969501296.db2.gz BFIOUNIPIAREDU-UHFFFAOYSA-N 1 2 299.806 1.107 20 30 CDEDLO CC[C@@H](C(=O)N(CC)C[C@H](C)C#N)[N@@H+]1CCO[C@H](CC)C1 ZINC001361851857 970604439 /nfs/dbraw/zinc/60/44/39/970604439.db2.gz BMRUHIQBDVWGJS-KFWWJZLASA-N 1 2 295.427 1.884 20 30 CDEDLO CC[C@@H](C(=O)N(CC)C[C@H](C)C#N)[N@H+]1CCO[C@H](CC)C1 ZINC001361851857 970604447 /nfs/dbraw/zinc/60/44/47/970604447.db2.gz BMRUHIQBDVWGJS-KFWWJZLASA-N 1 2 295.427 1.884 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](C)n1cccn1 ZINC001371924679 972692165 /nfs/dbraw/zinc/69/21/65/972692165.db2.gz VBGVMOFJJABXGQ-NSHDSACASA-N 1 2 270.764 1.245 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](C)n1cccn1 ZINC001371924679 972692175 /nfs/dbraw/zinc/69/21/75/972692175.db2.gz VBGVMOFJJABXGQ-NSHDSACASA-N 1 2 270.764 1.245 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C1(CC)CCOCC1 ZINC001372171833 972831850 /nfs/dbraw/zinc/83/18/50/972831850.db2.gz OLVCWNORFDTNCT-UHFFFAOYSA-N 1 2 288.819 1.994 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C1(CC)CCOCC1 ZINC001372171833 972831860 /nfs/dbraw/zinc/83/18/60/972831860.db2.gz OLVCWNORFDTNCT-UHFFFAOYSA-N 1 2 288.819 1.994 20 30 CDEDLO CCc1cccc(C[NH+]2CC(NC(=O)[C@H](C)C#N)C2)c1 ZINC001373417494 973429365 /nfs/dbraw/zinc/42/93/65/973429365.db2.gz OCJSLICLCDJNNO-GFCCVEGCSA-N 1 2 271.364 1.709 20 30 CDEDLO C=C(Cl)CN1CC(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001373463419 973451542 /nfs/dbraw/zinc/45/15/42/973451542.db2.gz RORJZFXNMACDET-VIFPVBQESA-N 1 2 282.775 1.141 20 30 CDEDLO C=C(Cl)CN1CC(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001373463419 973451551 /nfs/dbraw/zinc/45/15/51/973451551.db2.gz RORJZFXNMACDET-VIFPVBQESA-N 1 2 282.775 1.141 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1cccn1 ZINC001498230044 973763951 /nfs/dbraw/zinc/76/39/51/973763951.db2.gz ZBQRWYQNARHGPP-LLVKDONJSA-N 1 2 270.764 1.072 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cn1cccn1 ZINC001498230044 973763957 /nfs/dbraw/zinc/76/39/57/973763957.db2.gz ZBQRWYQNARHGPP-LLVKDONJSA-N 1 2 270.764 1.072 20 30 CDEDLO C=C(Cl)CN1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001377843474 975154623 /nfs/dbraw/zinc/15/46/23/975154623.db2.gz DDLHWUCDIKJYEY-ZDUSSCGKSA-N 1 2 296.802 1.606 20 30 CDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)CCCF)C1 ZINC001377989422 975196016 /nfs/dbraw/zinc/19/60/16/975196016.db2.gz XCXGJSBOESCPSQ-UHFFFAOYSA-N 1 2 289.354 1.856 20 30 CDEDLO Cc1nc(C[N@@H+](C)CCN(C)C(=O)[C@H](C)C#N)sc1C ZINC001401356916 975582319 /nfs/dbraw/zinc/58/23/19/975582319.db2.gz FYYJDXUHZVDGIE-SNVBAGLBSA-N 1 2 294.424 1.810 20 30 CDEDLO Cc1nc(C[N@H+](C)CCN(C)C(=O)[C@H](C)C#N)sc1C ZINC001401356916 975582329 /nfs/dbraw/zinc/58/23/29/975582329.db2.gz FYYJDXUHZVDGIE-SNVBAGLBSA-N 1 2 294.424 1.810 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1ccn(CC)n1 ZINC001390905205 976598075 /nfs/dbraw/zinc/59/80/75/976598075.db2.gz NGRDHDCOIWRYFQ-UHFFFAOYSA-N 1 2 298.818 1.636 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1ccn(CC)n1 ZINC001390905205 976598086 /nfs/dbraw/zinc/59/80/86/976598086.db2.gz NGRDHDCOIWRYFQ-UHFFFAOYSA-N 1 2 298.818 1.636 20 30 CDEDLO CCc1cnc(C[NH2+]C2(CNC(=O)[C@@H](C)C#N)CCC2)o1 ZINC001393533118 977822904 /nfs/dbraw/zinc/82/29/04/977822904.db2.gz FBRCWPKNYJNVOR-NSHDSACASA-N 1 2 290.367 1.525 20 30 CDEDLO C#CCCCCCC(=O)NCC[NH2+]Cc1cnsn1 ZINC001132398817 1163267798 /nfs/dbraw/zinc/26/77/98/1163267798.db2.gz QAPCAVYFVLKPCV-UHFFFAOYSA-N 1 2 280.397 1.328 20 30 CDEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001132568975 1163377269 /nfs/dbraw/zinc/37/72/69/1163377269.db2.gz ISOPFFCPFSZMLG-NXEZZACHSA-N 1 2 266.345 1.042 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nonc1C ZINC001132569570 1163378053 /nfs/dbraw/zinc/37/80/53/1163378053.db2.gz UMHVDWPJKIFKKR-VHSXEESVSA-N 1 2 266.345 1.042 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+]Cc1nn(C)cc1Cl ZINC001133381196 1163665097 /nfs/dbraw/zinc/66/50/97/1163665097.db2.gz YITLLYMMRINHIQ-CQSZACIVSA-N 1 2 298.818 1.882 20 30 CDEDLO C=CCC1(C(=O)NCC[NH2+][C@@H](C)c2nc(C)no2)CCC1 ZINC001133398626 1163669073 /nfs/dbraw/zinc/66/90/73/1163669073.db2.gz GIMQHEWXXKTXNG-NSHDSACASA-N 1 2 292.383 1.891 20 30 CDEDLO Cc1noc(C)c1[C@@H](C)CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000589827824 342514869 /nfs/dbraw/zinc/51/48/69/342514869.db2.gz NWBXNDRDJJXDLY-ZUZCIYMTSA-N 1 2 292.383 1.745 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000156247398 398145596 /nfs/dbraw/zinc/14/55/96/398145596.db2.gz AJAXMMLOFZOXAV-NEPJUHHUSA-N 1 2 260.341 1.454 20 30 CDEDLO N#CC1(CS(=O)(=O)NCc2[nH]cc[nH+]2)CCCCC1 ZINC000601377929 342558263 /nfs/dbraw/zinc/55/82/63/342558263.db2.gz MCMYRTGKPPXLLB-UHFFFAOYSA-N 1 2 282.369 1.303 20 30 CDEDLO CNc1ccc(Nc2nc(C#N)c(Cl)s2)c[nH+]1 ZINC000590580385 342577451 /nfs/dbraw/zinc/57/74/51/342577451.db2.gz CDOSWJDZWDUYLO-UHFFFAOYSA-N 1 2 265.729 1.692 20 30 CDEDLO CCCN(CC#N)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000608854284 342078803 /nfs/dbraw/zinc/07/88/03/342078803.db2.gz CCTVXPMNZDEEFP-UHFFFAOYSA-N 1 2 270.336 1.947 20 30 CDEDLO C[N@@H+](Cc1ccon1)C[C@@H](O)COc1ccccc1C#N ZINC000599298780 343998520 /nfs/dbraw/zinc/99/85/20/343998520.db2.gz YVKHETAMSCOZCM-CQSZACIVSA-N 1 2 287.319 1.418 20 30 CDEDLO C[N@H+](Cc1ccon1)C[C@@H](O)COc1ccccc1C#N ZINC000599298780 343998524 /nfs/dbraw/zinc/99/85/24/343998524.db2.gz YVKHETAMSCOZCM-CQSZACIVSA-N 1 2 287.319 1.418 20 30 CDEDLO CC(C)(C#N)C[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000591759810 342644260 /nfs/dbraw/zinc/64/42/60/342644260.db2.gz XGUSPHSCEMCGGX-UHFFFAOYSA-N 1 2 266.366 1.600 20 30 CDEDLO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146541 342673266 /nfs/dbraw/zinc/67/32/66/342673266.db2.gz CRTJEULQVQNEDP-BBRMVZONSA-N 1 2 287.363 1.673 20 30 CDEDLO Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146541 342673268 /nfs/dbraw/zinc/67/32/68/342673268.db2.gz CRTJEULQVQNEDP-BBRMVZONSA-N 1 2 287.363 1.673 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000592147705 342668148 /nfs/dbraw/zinc/66/81/48/342668148.db2.gz RLGQMAUOSQMUQM-ZDUSSCGKSA-N 1 2 252.264 1.815 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000592147705 342668149 /nfs/dbraw/zinc/66/81/49/342668149.db2.gz RLGQMAUOSQMUQM-ZDUSSCGKSA-N 1 2 252.264 1.815 20 30 CDEDLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149706 342668626 /nfs/dbraw/zinc/66/86/26/342668626.db2.gz UVPWWGYGTSLWQJ-BZNIZROVSA-N 1 2 298.346 1.747 20 30 CDEDLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149706 342668627 /nfs/dbraw/zinc/66/86/27/342668627.db2.gz UVPWWGYGTSLWQJ-BZNIZROVSA-N 1 2 298.346 1.747 20 30 CDEDLO C=CCC[C@@H]([NH2+]C[C@H]1CNc2ccnn2C1)C(=O)OCC ZINC000592514865 342700809 /nfs/dbraw/zinc/70/08/09/342700809.db2.gz GBIKJAZDLCAOSN-QWHCGFSZSA-N 1 2 292.383 1.412 20 30 CDEDLO Cc1nn2c(C[N@@H+]3CC[C@@](O)(CC#N)C3)c(C)nc2s1 ZINC000592522306 342702294 /nfs/dbraw/zinc/70/22/94/342702294.db2.gz LKEILYZZOWCFAN-ZDUSSCGKSA-N 1 2 291.380 1.258 20 30 CDEDLO Cc1nn2c(C[N@H+]3CC[C@@](O)(CC#N)C3)c(C)nc2s1 ZINC000592522306 342702295 /nfs/dbraw/zinc/70/22/95/342702295.db2.gz LKEILYZZOWCFAN-ZDUSSCGKSA-N 1 2 291.380 1.258 20 30 CDEDLO N#Cc1ccc(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)c(F)c1 ZINC000592946355 342748975 /nfs/dbraw/zinc/74/89/75/342748975.db2.gz MYCRAMJHDGTVNT-ZDUSSCGKSA-N 1 2 298.321 1.773 20 30 CDEDLO CC[N@H+](Cc1cccc(C#N)n1)[C@@H](C)CS(C)(=O)=O ZINC000602468944 342166164 /nfs/dbraw/zinc/16/61/64/342166164.db2.gz OXVWYHSFTDVUIQ-NSHDSACASA-N 1 2 281.381 1.208 20 30 CDEDLO CC[N@@H+](Cc1cccc(C#N)n1)[C@@H](C)CS(C)(=O)=O ZINC000602468944 342166165 /nfs/dbraw/zinc/16/61/65/342166165.db2.gz OXVWYHSFTDVUIQ-NSHDSACASA-N 1 2 281.381 1.208 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCc1ccccn1 ZINC000593154575 342774176 /nfs/dbraw/zinc/77/41/76/342774176.db2.gz LOLKZJZYSCQEAI-HNNXBMFYSA-N 1 2 274.368 1.364 20 30 CDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000076825093 342194010 /nfs/dbraw/zinc/19/40/10/342194010.db2.gz YLQWZHSWTRHGRQ-MTJIALIYSA-N 1 2 292.404 1.778 20 30 CDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000076825093 342194011 /nfs/dbraw/zinc/19/40/11/342194011.db2.gz YLQWZHSWTRHGRQ-MTJIALIYSA-N 1 2 292.404 1.778 20 30 CDEDLO CC[C@@H](C#N)C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000593417253 342799636 /nfs/dbraw/zinc/79/96/36/342799636.db2.gz BSFPWEUISOKXKP-NSHDSACASA-N 1 2 256.309 1.809 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)c(F)c1 ZINC000593637320 342821337 /nfs/dbraw/zinc/82/13/37/342821337.db2.gz SKMYKLNQQDFTQS-AWEZNQCLSA-N 1 2 264.300 1.685 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@@](O)(CC#N)C2)c(F)c1 ZINC000593637320 342821338 /nfs/dbraw/zinc/82/13/38/342821338.db2.gz SKMYKLNQQDFTQS-AWEZNQCLSA-N 1 2 264.300 1.685 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)nc1 ZINC000593962183 342857920 /nfs/dbraw/zinc/85/79/20/342857920.db2.gz QCZBQCGFPFZEEL-CABCVRRESA-N 1 2 273.336 1.333 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)nc1 ZINC000593962183 342857921 /nfs/dbraw/zinc/85/79/21/342857921.db2.gz QCZBQCGFPFZEEL-CABCVRRESA-N 1 2 273.336 1.333 20 30 CDEDLO C=CCCC(=O)N1CCN(Cc2[nH+]ccn2CC)CC1 ZINC000600500694 342228593 /nfs/dbraw/zinc/22/85/93/342228593.db2.gz QQEXMIUPVIURKK-UHFFFAOYSA-N 1 2 276.384 1.513 20 30 CDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1[nH]cc[nH+]1 ZINC000594288564 342887997 /nfs/dbraw/zinc/88/79/97/342887997.db2.gz ASNZTGHHQARSPA-LLVKDONJSA-N 1 2 268.320 1.776 20 30 CDEDLO COc1cccc(NC[C@@H](O)C[N@H+](C)CCC#N)c1C ZINC000600754929 342247656 /nfs/dbraw/zinc/24/76/56/342247656.db2.gz NIGFNCVJVSLMNY-CYBMUJFWSA-N 1 2 277.368 1.622 20 30 CDEDLO COc1cccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c1C ZINC000600754929 342247657 /nfs/dbraw/zinc/24/76/57/342247657.db2.gz NIGFNCVJVSLMNY-CYBMUJFWSA-N 1 2 277.368 1.622 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000619179839 349647359 /nfs/dbraw/zinc/64/73/59/349647359.db2.gz GVNFILFQSIEJCG-OLZOCXBDSA-N 1 2 293.411 1.684 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000619179839 349647363 /nfs/dbraw/zinc/64/73/63/349647363.db2.gz GVNFILFQSIEJCG-OLZOCXBDSA-N 1 2 293.411 1.684 20 30 CDEDLO C=CCC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCOCC1 ZINC000618251530 342268266 /nfs/dbraw/zinc/26/82/66/342268266.db2.gz MMRBXBQBAABZAN-ZDUSSCGKSA-N 1 2 289.379 1.687 20 30 CDEDLO CC[C@H](C)CCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000351952227 529643753 /nfs/dbraw/zinc/64/37/53/529643753.db2.gz RYCFEAFSIVWYFL-HNNXBMFYSA-N 1 2 295.427 1.887 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000595398851 343048037 /nfs/dbraw/zinc/04/80/37/343048037.db2.gz ADLVFQKLNSUFOF-SMDDNHRTSA-N 1 2 277.372 1.284 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000565668757 365698492 /nfs/dbraw/zinc/69/84/92/365698492.db2.gz AFYOILUMIZJJQL-CQSZACIVSA-N 1 2 295.346 1.763 20 30 CDEDLO N#CC1(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000619534155 349793661 /nfs/dbraw/zinc/79/36/61/349793661.db2.gz XSDJNOTVNLRJMT-LBPRGKRZSA-N 1 2 273.340 1.533 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC(C)(C)O1 ZINC000329742962 362038062 /nfs/dbraw/zinc/03/80/62/362038062.db2.gz WXPLQWVFVZPLJK-GHMZBOCLSA-N 1 2 292.383 1.680 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC(C)(C)O1 ZINC000329742962 362038066 /nfs/dbraw/zinc/03/80/66/362038066.db2.gz WXPLQWVFVZPLJK-GHMZBOCLSA-N 1 2 292.383 1.680 20 30 CDEDLO CO[C@]1(C)CCCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000329952921 362101728 /nfs/dbraw/zinc/10/17/28/362101728.db2.gz NLSCLCRKPCVTLX-IUODEOHRSA-N 1 2 292.383 1.613 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1csc(CC(=O)OC(C)C)n1 ZINC000595863897 343175414 /nfs/dbraw/zinc/17/54/14/343175414.db2.gz KHFBYXNNYNBIHT-SNVBAGLBSA-N 1 2 284.381 1.274 20 30 CDEDLO C[N@H+](Cc1cccc(O)c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000080925214 342360731 /nfs/dbraw/zinc/36/07/31/342360731.db2.gz PAZAMSLIIWZVKE-MRXNPFEDSA-N 1 2 295.342 1.922 20 30 CDEDLO C[N@@H+](Cc1cccc(O)c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000080925214 342360732 /nfs/dbraw/zinc/36/07/32/342360732.db2.gz PAZAMSLIIWZVKE-MRXNPFEDSA-N 1 2 295.342 1.922 20 30 CDEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000081039678 342363344 /nfs/dbraw/zinc/36/33/44/342363344.db2.gz UDUNKPIGUOSIPG-SNVBAGLBSA-N 1 2 268.361 1.235 20 30 CDEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000081039678 342363345 /nfs/dbraw/zinc/36/33/45/342363345.db2.gz UDUNKPIGUOSIPG-SNVBAGLBSA-N 1 2 268.361 1.235 20 30 CDEDLO N#CC[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000597900867 343665777 /nfs/dbraw/zinc/66/57/77/343665777.db2.gz QZBFTZHRAGPBCP-STQMWFEESA-N 1 2 272.352 1.598 20 30 CDEDLO Cc1c[nH]c(CN2CCN(c3nccnc3C#N)C[C@H]2C)[nH+]1 ZINC000600130711 349837103 /nfs/dbraw/zinc/83/71/03/349837103.db2.gz HIFMNYKFFLLKMS-GFCCVEGCSA-N 1 2 297.366 1.091 20 30 CDEDLO C[C@H](C#N)N(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000598135572 343724797 /nfs/dbraw/zinc/72/47/97/343724797.db2.gz YKHDUDAJVVZOKF-GHMZBOCLSA-N 1 2 258.325 1.349 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000353168705 529841287 /nfs/dbraw/zinc/84/12/87/529841287.db2.gz CLUMRIWXGTVMCZ-UHFFFAOYSA-N 1 2 287.354 1.972 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000619722171 349872054 /nfs/dbraw/zinc/87/20/54/349872054.db2.gz QTPUGGNYOWCEAJ-CHWSQXEVSA-N 1 2 253.342 1.605 20 30 CDEDLO CC(F)(F)C[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600738529 349877862 /nfs/dbraw/zinc/87/78/62/349877862.db2.gz JKKBYJQFJWYQIO-LLVKDONJSA-N 1 2 270.279 1.543 20 30 CDEDLO N#CCC1(CN2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000602793531 344585439 /nfs/dbraw/zinc/58/54/39/344585439.db2.gz AGBUUYHVDNBTBO-UHFFFAOYSA-N 1 2 270.380 1.893 20 30 CDEDLO Cc1n[nH]cc1C[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000602941006 344665895 /nfs/dbraw/zinc/66/58/95/344665895.db2.gz ZLJBKQSTOYDLNK-UHFFFAOYSA-N 1 2 289.383 1.493 20 30 CDEDLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000602941006 344665896 /nfs/dbraw/zinc/66/58/96/344665896.db2.gz ZLJBKQSTOYDLNK-UHFFFAOYSA-N 1 2 289.383 1.493 20 30 CDEDLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000612155639 347063190 /nfs/dbraw/zinc/06/31/90/347063190.db2.gz XDSDGABMSWFMPR-UKRRQHHQSA-N 1 2 263.385 1.871 20 30 CDEDLO C[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000612155639 347063194 /nfs/dbraw/zinc/06/31/94/347063194.db2.gz XDSDGABMSWFMPR-UKRRQHHQSA-N 1 2 263.385 1.871 20 30 CDEDLO Cc1ccc2nc(C[NH2+][C@H](C)CC#N)cc(=O)n2c1 ZINC000602870645 344640964 /nfs/dbraw/zinc/64/09/64/344640964.db2.gz VCPHQJUPFWNMJP-LLVKDONJSA-N 1 2 256.309 1.395 20 30 CDEDLO CCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612164365 347067204 /nfs/dbraw/zinc/06/72/04/347067204.db2.gz DZCPOHMYAHRAOY-TZMCWYRMSA-N 1 2 251.374 1.917 20 30 CDEDLO CCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612164365 347067209 /nfs/dbraw/zinc/06/72/09/347067209.db2.gz DZCPOHMYAHRAOY-TZMCWYRMSA-N 1 2 251.374 1.917 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000382630183 345230841 /nfs/dbraw/zinc/23/08/41/345230841.db2.gz KRALIIYHYFMIRG-ZFWWWQNUSA-N 1 2 279.384 1.249 20 30 CDEDLO CCn1cc(C[N@H+](C)CC(=O)Nc2cccc(C#N)c2)cn1 ZINC000072980751 345393476 /nfs/dbraw/zinc/39/34/76/345393476.db2.gz HHVMUVGUACDULD-UHFFFAOYSA-N 1 2 297.362 1.845 20 30 CDEDLO CCn1cc(C[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)cn1 ZINC000072980751 345393477 /nfs/dbraw/zinc/39/34/77/345393477.db2.gz HHVMUVGUACDULD-UHFFFAOYSA-N 1 2 297.362 1.845 20 30 CDEDLO CCOC(=O)[C@@H]1CCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000120576758 362584367 /nfs/dbraw/zinc/58/43/67/362584367.db2.gz ACILNGGOKNAPEK-HNNXBMFYSA-N 1 2 288.347 1.965 20 30 CDEDLO CCOC(=O)[C@@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000120576758 362584371 /nfs/dbraw/zinc/58/43/71/362584371.db2.gz ACILNGGOKNAPEK-HNNXBMFYSA-N 1 2 288.347 1.965 20 30 CDEDLO CCN(CC)C(=O)N1CC[NH+](CCCC#N)CC1 ZINC000045914705 345588234 /nfs/dbraw/zinc/58/82/34/345588234.db2.gz ZLEJDYRBWWAHRQ-UHFFFAOYSA-N 1 2 252.362 1.370 20 30 CDEDLO CCn1cc([NH+]=C([O-])N2CCn3c[nH+]cc3C2)ccc1=O ZINC000329788231 345857426 /nfs/dbraw/zinc/85/74/26/345857426.db2.gz RRCLOSFWKSZXBY-UHFFFAOYSA-N 1 2 287.323 1.126 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617725956 345930432 /nfs/dbraw/zinc/93/04/32/345930432.db2.gz QXMPXZOGCYWBQW-KCQAQPDRSA-N 1 2 268.401 1.814 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617725956 345930434 /nfs/dbraw/zinc/93/04/34/345930434.db2.gz QXMPXZOGCYWBQW-KCQAQPDRSA-N 1 2 268.401 1.814 20 30 CDEDLO CCO[C@@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000609676631 345989318 /nfs/dbraw/zinc/98/93/18/345989318.db2.gz XLDQIBANXKJHHT-HUUCEWRRSA-N 1 2 287.363 1.586 20 30 CDEDLO CCO[C@@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000609676631 345989320 /nfs/dbraw/zinc/98/93/20/345989320.db2.gz XLDQIBANXKJHHT-HUUCEWRRSA-N 1 2 287.363 1.586 20 30 CDEDLO Cc1cccn2cc(CCNC(=O)[C@@H](C)C#N)[nH+]c12 ZINC000610446244 346283172 /nfs/dbraw/zinc/28/31/72/346283172.db2.gz RCFWZNOENLGNAZ-NSHDSACASA-N 1 2 256.309 1.461 20 30 CDEDLO N#CCN1CCC(CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC000610492733 346294792 /nfs/dbraw/zinc/29/47/92/346294792.db2.gz WQDVWOZSLLFYLJ-UHFFFAOYSA-N 1 2 289.383 1.015 20 30 CDEDLO COCCN(CCC#N)c1cc(-n2cc[nH+]c2)ncn1 ZINC000610713938 346373990 /nfs/dbraw/zinc/37/39/90/346373990.db2.gz RERSCPYBHDLQPB-UHFFFAOYSA-N 1 2 272.312 1.029 20 30 CDEDLO COCCc1nc(C[NH+]2CCC(CC#N)CC2)no1 ZINC000584807917 346438718 /nfs/dbraw/zinc/43/87/18/346438718.db2.gz UELPMRQFFKKRAE-UHFFFAOYSA-N 1 2 264.329 1.384 20 30 CDEDLO C[NH+]1CCC(C#N)(NC(=O)c2ccc(Cl)cc2O)CC1 ZINC000040221736 346486926 /nfs/dbraw/zinc/48/69/26/346486926.db2.gz SFROQQDDGKLNQT-UHFFFAOYSA-N 1 2 293.754 1.763 20 30 CDEDLO COC(=O)c1cccc(C[NH+]2CCN(CCC#N)CC2)c1 ZINC000611175117 346629425 /nfs/dbraw/zinc/62/94/25/346629425.db2.gz UFRSLYYZLZAYRZ-UHFFFAOYSA-N 1 2 287.363 1.504 20 30 CDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000450120891 362795185 /nfs/dbraw/zinc/79/51/85/362795185.db2.gz ZUYPMJIEFORBPZ-CXTNEJHOSA-N 1 2 272.352 1.842 20 30 CDEDLO C=CC[N@H+](CC(=O)NCC#N)Cc1cccc(C#N)c1 ZINC000066496950 347489697 /nfs/dbraw/zinc/48/96/97/347489697.db2.gz ABSORTZCPODDCL-UHFFFAOYSA-N 1 2 268.320 1.186 20 30 CDEDLO C=CC[N@@H+](CC(=O)NCC#N)Cc1cccc(C#N)c1 ZINC000066496950 347489698 /nfs/dbraw/zinc/48/96/98/347489698.db2.gz ABSORTZCPODDCL-UHFFFAOYSA-N 1 2 268.320 1.186 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000613638413 347806317 /nfs/dbraw/zinc/80/63/17/347806317.db2.gz HADJRAJQDIAUFV-CYBMUJFWSA-N 1 2 295.427 1.400 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000613638413 347806318 /nfs/dbraw/zinc/80/63/18/347806318.db2.gz HADJRAJQDIAUFV-CYBMUJFWSA-N 1 2 295.427 1.400 20 30 CDEDLO Cc1ncc([C@H](C)[NH+]2CCN(CC#N)CC2)c(C)n1 ZINC000614962826 348287280 /nfs/dbraw/zinc/28/72/80/348287280.db2.gz JBGCCRQTIIQKEL-LBPRGKRZSA-N 1 2 259.357 1.296 20 30 CDEDLO Cc1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc1F ZINC000414120882 362925974 /nfs/dbraw/zinc/92/59/74/362925974.db2.gz FEPXAXPDFGYDFZ-LBPRGKRZSA-N 1 2 266.316 1.719 20 30 CDEDLO Cc1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc1F ZINC000414120882 362925977 /nfs/dbraw/zinc/92/59/77/362925977.db2.gz FEPXAXPDFGYDFZ-LBPRGKRZSA-N 1 2 266.316 1.719 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(F)cc1[N+](=O)[O-] ZINC000414142936 362923020 /nfs/dbraw/zinc/92/30/20/362923020.db2.gz NGHHXRGHHGHSBS-LLVKDONJSA-N 1 2 297.286 1.319 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(F)cc1[N+](=O)[O-] ZINC000414142936 362923027 /nfs/dbraw/zinc/92/30/27/362923027.db2.gz NGHHXRGHHGHSBS-LLVKDONJSA-N 1 2 297.286 1.319 20 30 CDEDLO C#CCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000029325140 348670513 /nfs/dbraw/zinc/67/05/13/348670513.db2.gz YNYVHDPIOVADMT-ZDUSSCGKSA-N 1 2 286.310 1.581 20 30 CDEDLO C#CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000042097582 348717367 /nfs/dbraw/zinc/71/73/67/348717367.db2.gz HTJNRFMOIYXWMW-UHFFFAOYSA-N 1 2 263.272 1.489 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCOc2ccccc2C1 ZINC000615778115 348718200 /nfs/dbraw/zinc/71/82/00/348718200.db2.gz QAIKHEZXZNNTOY-ZDUSSCGKSA-N 1 2 299.374 1.832 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCOc2ccccc2C1 ZINC000615778115 348718204 /nfs/dbraw/zinc/71/82/04/348718204.db2.gz QAIKHEZXZNNTOY-ZDUSSCGKSA-N 1 2 299.374 1.832 20 30 CDEDLO N#CCCN1CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000615793188 348730367 /nfs/dbraw/zinc/73/03/67/348730367.db2.gz AQYVJZNGFAQLAS-UHFFFAOYSA-N 1 2 297.296 1.435 20 30 CDEDLO CCOC(=O)C[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000046086176 348784515 /nfs/dbraw/zinc/78/45/15/348784515.db2.gz ZSTMXILXHFGDCB-UHFFFAOYSA-N 1 2 287.363 1.633 20 30 CDEDLO CCOC(=O)C[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000046086176 348784518 /nfs/dbraw/zinc/78/45/18/348784518.db2.gz ZSTMXILXHFGDCB-UHFFFAOYSA-N 1 2 287.363 1.633 20 30 CDEDLO Cc1cccn2cc(CCNc3cc(C#N)ncn3)[nH+]c12 ZINC000617958802 349368408 /nfs/dbraw/zinc/36/84/08/349368408.db2.gz CIQIJYAJJMUKGC-UHFFFAOYSA-N 1 2 278.319 1.381 20 30 CDEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](COC)c1ccco1 ZINC000273487007 192171942 /nfs/dbraw/zinc/17/19/42/192171942.db2.gz JNMMKRNMPFXRAX-ZDUSSCGKSA-N 1 2 278.352 1.757 20 30 CDEDLO N#Cc1ccc(CCn2cc[nH+]c2CN2CCOCC2)cc1 ZINC000603421684 350288243 /nfs/dbraw/zinc/28/82/43/350288243.db2.gz YJPYQRRLOPYLGW-UHFFFAOYSA-N 1 2 296.374 1.830 20 30 CDEDLO CCC(=O)N1CCC[N@H+](C[C@H](C#N)CCC#N)CC1 ZINC000077410245 350698531 /nfs/dbraw/zinc/69/85/31/350698531.db2.gz WDCGNYBMYQSTGX-ZDUSSCGKSA-N 1 2 262.357 1.374 20 30 CDEDLO CCC(=O)N1CCC[N@@H+](C[C@H](C#N)CCC#N)CC1 ZINC000077410245 350698532 /nfs/dbraw/zinc/69/85/32/350698532.db2.gz WDCGNYBMYQSTGX-ZDUSSCGKSA-N 1 2 262.357 1.374 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOC[C@H]1CC ZINC000115573432 350943974 /nfs/dbraw/zinc/94/39/74/350943974.db2.gz LLZMVZPTRHDUEZ-CYBMUJFWSA-N 1 2 254.374 1.522 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC[C@H]1CC ZINC000115573432 350943980 /nfs/dbraw/zinc/94/39/80/350943980.db2.gz LLZMVZPTRHDUEZ-CYBMUJFWSA-N 1 2 254.374 1.522 20 30 CDEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000123349440 187086921 /nfs/dbraw/zinc/08/69/21/187086921.db2.gz JLUAKHNLPHDUKS-BXUZGUMPSA-N 1 2 274.320 1.321 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000123349440 187086922 /nfs/dbraw/zinc/08/69/22/187086922.db2.gz JLUAKHNLPHDUKS-BXUZGUMPSA-N 1 2 274.320 1.321 20 30 CDEDLO CC(C)n1cnnc1C[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000292442347 198290126 /nfs/dbraw/zinc/29/01/26/198290126.db2.gz ONNAWQRNKOUISP-OAHLLOKOSA-N 1 2 299.378 1.896 20 30 CDEDLO CC(C)n1cnnc1C[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000292442347 198290128 /nfs/dbraw/zinc/29/01/28/198290128.db2.gz ONNAWQRNKOUISP-OAHLLOKOSA-N 1 2 299.378 1.896 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+](C)Cc1nncn1C(C)C ZINC000292475830 198302056 /nfs/dbraw/zinc/30/20/56/198302056.db2.gz RSHNNCSSZVNZEJ-GFCCVEGCSA-N 1 2 252.362 1.618 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+](C)Cc1nncn1C(C)C ZINC000292475830 198302057 /nfs/dbraw/zinc/30/20/57/198302057.db2.gz RSHNNCSSZVNZEJ-GFCCVEGCSA-N 1 2 252.362 1.618 20 30 CDEDLO CCC[N@@H+](CC(=O)OCC)C[C@@H](O)c1ccc(C#N)cc1 ZINC000155765517 188225738 /nfs/dbraw/zinc/22/57/38/188225738.db2.gz KBVTUKRIKAZBIA-OAHLLOKOSA-N 1 2 290.363 1.867 20 30 CDEDLO CCC[N@H+](CC(=O)OCC)C[C@@H](O)c1ccc(C#N)cc1 ZINC000155765517 188225739 /nfs/dbraw/zinc/22/57/39/188225739.db2.gz KBVTUKRIKAZBIA-OAHLLOKOSA-N 1 2 290.363 1.867 20 30 CDEDLO N#Cc1ccc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)[nH]1 ZINC000155764446 188225936 /nfs/dbraw/zinc/22/59/36/188225936.db2.gz OHSNBLKKRBKNLC-UHFFFAOYSA-N 1 2 295.346 1.812 20 30 CDEDLO CC#CCC[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000156645879 188274762 /nfs/dbraw/zinc/27/47/62/188274762.db2.gz VMXNHVHDNWDAPA-UHFFFAOYSA-N 1 2 272.348 1.563 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCO)Cc1cccnc1 ZINC000156802729 188282409 /nfs/dbraw/zinc/28/24/09/188282409.db2.gz GWASGYQBNVZRHR-UHFFFAOYSA-N 1 2 291.395 1.301 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCO)Cc1cccnc1 ZINC000156802729 188282410 /nfs/dbraw/zinc/28/24/10/188282410.db2.gz GWASGYQBNVZRHR-UHFFFAOYSA-N 1 2 291.395 1.301 20 30 CDEDLO CCc1cncc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000572606079 363369679 /nfs/dbraw/zinc/36/96/79/363369679.db2.gz DCDNQWFKECNFMW-CQSZACIVSA-N 1 2 260.341 1.218 20 30 CDEDLO N#CC1(NC(=O)C=Cc2c[nH]c[nH+]2)CCSCC1 ZINC000492871659 366184309 /nfs/dbraw/zinc/18/43/09/366184309.db2.gz XPQLPKHEOCFYDL-UPHRSURJSA-N 1 2 262.338 1.328 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)[nH]1 ZINC000336383858 356157329 /nfs/dbraw/zinc/15/73/29/356157329.db2.gz GQDZVZVJUKGSIP-UHFFFAOYSA-N 1 2 269.308 1.629 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)[nH]1 ZINC000336383858 356157331 /nfs/dbraw/zinc/15/73/31/356157331.db2.gz GQDZVZVJUKGSIP-UHFFFAOYSA-N 1 2 269.308 1.629 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)Nc1ccc(F)c(C#N)c1 ZINC000336619013 356222441 /nfs/dbraw/zinc/22/24/41/356222441.db2.gz GPFMMUDXBWEVRS-UHFFFAOYSA-N 1 2 273.271 1.753 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000188183612 356350083 /nfs/dbraw/zinc/35/00/83/356350083.db2.gz WGDRJOVEXNIQOI-UHFFFAOYSA-N 1 2 281.381 1.110 20 30 CDEDLO Cc1cccc(/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000493422903 366355908 /nfs/dbraw/zinc/35/59/08/366355908.db2.gz QNWPPGCFSYQTNH-QWGSZXSUSA-N 1 2 271.364 1.968 20 30 CDEDLO O=C(NC(C1CC1)C1CC1)N1CCn2cc[nH+]c2C1 ZINC000329835336 538692781 /nfs/dbraw/zinc/69/27/81/538692781.db2.gz LKKFBTFCJIARFJ-UHFFFAOYSA-N 1 2 260.341 1.801 20 30 CDEDLO C=CC[C@H](CC)NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000299082419 356970535 /nfs/dbraw/zinc/97/05/35/356970535.db2.gz UEISQUUGJKPPMP-NSHDSACASA-N 1 2 286.335 1.744 20 30 CDEDLO C#CCN(CC)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000299158816 356976719 /nfs/dbraw/zinc/97/67/19/356976719.db2.gz XJQXKSJGBLIVAY-UHFFFAOYSA-N 1 2 255.321 1.826 20 30 CDEDLO N#Cc1cnc(N2CCC[C@H]2C[NH+]2CCOCC2)c(F)c1 ZINC000413229356 283231920 /nfs/dbraw/zinc/23/19/20/283231920.db2.gz CHXDDBCKLFDAJP-ZDUSSCGKSA-N 1 2 290.342 1.393 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000299388077 357056980 /nfs/dbraw/zinc/05/69/80/357056980.db2.gz TVVBZSIKLKVKCI-ZNMIVQPWSA-N 1 2 260.381 1.638 20 30 CDEDLO N#Cc1cc(NCCn2cc[nH+]c2)cc(N)c1[N+](=O)[O-] ZINC000341375381 357239723 /nfs/dbraw/zinc/23/97/23/357239723.db2.gz NKCFQXVFNYAOLC-UHFFFAOYSA-N 1 2 272.268 1.357 20 30 CDEDLO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000175881431 357515383 /nfs/dbraw/zinc/51/53/83/357515383.db2.gz ZVHSTJREDKHNRX-GFCCVEGCSA-N 1 2 293.392 1.148 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185162515 357516061 /nfs/dbraw/zinc/51/60/61/357516061.db2.gz DWYHMKPFQJRYFS-MRXNPFEDSA-N 1 2 288.347 1.558 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185162515 357516063 /nfs/dbraw/zinc/51/60/63/357516063.db2.gz DWYHMKPFQJRYFS-MRXNPFEDSA-N 1 2 288.347 1.558 20 30 CDEDLO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000335420325 357913882 /nfs/dbraw/zinc/91/38/82/357913882.db2.gz IIEVBWNGKGLETE-AWEZNQCLSA-N 1 2 261.300 1.408 20 30 CDEDLO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000335420325 357913889 /nfs/dbraw/zinc/91/38/89/357913889.db2.gz IIEVBWNGKGLETE-AWEZNQCLSA-N 1 2 261.300 1.408 20 30 CDEDLO C[C@@H](c1nnnn1C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000188619503 357918530 /nfs/dbraw/zinc/91/85/30/357918530.db2.gz RZEUVODSZFUAJX-JTQLQIEISA-N 1 2 256.313 1.275 20 30 CDEDLO C[C@@H](c1nnnn1C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000188619503 357918533 /nfs/dbraw/zinc/91/85/33/357918533.db2.gz RZEUVODSZFUAJX-JTQLQIEISA-N 1 2 256.313 1.275 20 30 CDEDLO C[N@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1CCNC1=O ZINC000335755468 357985358 /nfs/dbraw/zinc/98/53/58/357985358.db2.gz MKDJTFSZGKJWCB-GFCCVEGCSA-N 1 2 263.728 1.532 20 30 CDEDLO C[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1CCNC1=O ZINC000335755468 357985361 /nfs/dbraw/zinc/98/53/61/357985361.db2.gz MKDJTFSZGKJWCB-GFCCVEGCSA-N 1 2 263.728 1.532 20 30 CDEDLO CCc1ccccc1NC(=O)C[N@@H+](C)CC#CCOC ZINC000677817916 482793639 /nfs/dbraw/zinc/79/36/39/482793639.db2.gz WHPLNTNAFIBRNH-UHFFFAOYSA-N 1 2 274.364 1.769 20 30 CDEDLO CCc1ccccc1NC(=O)C[N@H+](C)CC#CCOC ZINC000677817916 482793633 /nfs/dbraw/zinc/79/36/33/482793633.db2.gz WHPLNTNAFIBRNH-UHFFFAOYSA-N 1 2 274.364 1.769 20 30 CDEDLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000559289957 358276175 /nfs/dbraw/zinc/27/61/75/358276175.db2.gz GNRKWZDQCUPZPV-QGHHPUGFSA-N 1 2 251.355 1.152 20 30 CDEDLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000559289957 358276177 /nfs/dbraw/zinc/27/61/77/358276177.db2.gz GNRKWZDQCUPZPV-QGHHPUGFSA-N 1 2 251.355 1.152 20 30 CDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCCCc1ccccc1 ZINC000088520598 358373206 /nfs/dbraw/zinc/37/32/06/358373206.db2.gz QWKFAIKQCILGGN-UHFFFAOYSA-N 1 2 277.368 1.823 20 30 CDEDLO N#Cc1ccc(NC(=O)C2CC[NH+](CC(F)F)CC2)nc1 ZINC000298698822 366438527 /nfs/dbraw/zinc/43/85/27/366438527.db2.gz NJSUOUTTXOSTBE-UHFFFAOYSA-N 1 2 294.305 1.869 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)c1c(F)cc(C#N)cc1F ZINC000401757909 358588367 /nfs/dbraw/zinc/58/83/67/358588367.db2.gz SKTKLMNLHVGRCX-UHFFFAOYSA-N 1 2 290.273 1.542 20 30 CDEDLO Cc1nnc([C@@H](C)[NH2+]CCC(=O)Nc2cccc(C#N)c2)o1 ZINC000541684644 358746623 /nfs/dbraw/zinc/74/66/23/358746623.db2.gz ROUQORQWZMRLCJ-SNVBAGLBSA-N 1 2 299.334 1.929 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)[nH]1 ZINC000120341686 358754970 /nfs/dbraw/zinc/75/49/70/358754970.db2.gz ALGYQEZZCRUMHD-UHFFFAOYSA-N 1 2 269.308 1.560 20 30 CDEDLO N#CCOc1ccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000493561963 366464600 /nfs/dbraw/zinc/46/46/00/366464600.db2.gz AYHCVRVFMSFACV-CYBMUJFWSA-N 1 2 287.319 1.225 20 30 CDEDLO N#CCOc1ccc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000493561963 366464609 /nfs/dbraw/zinc/46/46/09/366464609.db2.gz AYHCVRVFMSFACV-CYBMUJFWSA-N 1 2 287.319 1.225 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000494868715 366513282 /nfs/dbraw/zinc/51/32/82/366513282.db2.gz AHHAHICHBBRKNB-KBPBESRZSA-N 1 2 281.400 1.457 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000494868715 366513286 /nfs/dbraw/zinc/51/32/86/366513286.db2.gz AHHAHICHBBRKNB-KBPBESRZSA-N 1 2 281.400 1.457 20 30 CDEDLO C=CCOCC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000345965058 358961863 /nfs/dbraw/zinc/96/18/63/358961863.db2.gz QUEPENQMNBEDDX-QWHCGFSZSA-N 1 2 263.341 1.495 20 30 CDEDLO C=CCCS(=O)(=O)NCc1cn2ccccc2[nH+]1 ZINC000268868181 359365250 /nfs/dbraw/zinc/36/52/50/359365250.db2.gz ODBLVGGMKGLQLI-UHFFFAOYSA-N 1 2 265.338 1.330 20 30 CDEDLO CN1CC[C@H]([N@H+](C)CC#Cc2ccc(F)cc2)C1=O ZINC000269597171 359373295 /nfs/dbraw/zinc/37/32/95/359373295.db2.gz LNMQKAFLAPAQRZ-AWEZNQCLSA-N 1 2 260.312 1.340 20 30 CDEDLO CN1CC[C@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C1=O ZINC000269597171 359373298 /nfs/dbraw/zinc/37/32/98/359373298.db2.gz LNMQKAFLAPAQRZ-AWEZNQCLSA-N 1 2 260.312 1.340 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCc1ccc(OC)cc1)C1CC1 ZINC000274240299 359495929 /nfs/dbraw/zinc/49/59/29/359495929.db2.gz XVOWSHGMXSUOPW-UHFFFAOYSA-N 1 2 272.348 1.409 20 30 CDEDLO C#CC[N@H+](CC(=O)NCc1ccc(OC)cc1)C1CC1 ZINC000274240299 359495932 /nfs/dbraw/zinc/49/59/32/359495932.db2.gz XVOWSHGMXSUOPW-UHFFFAOYSA-N 1 2 272.348 1.409 20 30 CDEDLO Cc1[nH]c(C(=O)NCCc2cccc(C#N)c2)c[nH+]1 ZINC000340108343 359562501 /nfs/dbraw/zinc/56/25/01/359562501.db2.gz HZOBIYBXMCZNDX-UHFFFAOYSA-N 1 2 254.293 1.562 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2cnn(C)c2)n1 ZINC000279808773 359596144 /nfs/dbraw/zinc/59/61/44/359596144.db2.gz XKIFAMZDWCCCKK-UHFFFAOYSA-N 1 2 257.341 1.272 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cnn(C)c2)n1 ZINC000279808773 359596148 /nfs/dbraw/zinc/59/61/48/359596148.db2.gz XKIFAMZDWCCCKK-UHFFFAOYSA-N 1 2 257.341 1.272 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCNC1=O ZINC000340217739 359612135 /nfs/dbraw/zinc/61/21/35/359612135.db2.gz CVFNKEMWESRNLF-LLVKDONJSA-N 1 2 295.289 1.480 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCNC1=O ZINC000340217739 359612136 /nfs/dbraw/zinc/61/21/36/359612136.db2.gz CVFNKEMWESRNLF-LLVKDONJSA-N 1 2 295.289 1.480 20 30 CDEDLO CC#CCN(C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000297707900 200265986 /nfs/dbraw/zinc/26/59/86/200265986.db2.gz XXWMZWRVFMYXOF-UHFFFAOYSA-N 1 2 270.336 1.542 20 30 CDEDLO C=CC[C@H](CO)NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000337068916 359983351 /nfs/dbraw/zinc/98/33/51/359983351.db2.gz LRRULEIQOXSODN-CYBMUJFWSA-N 1 2 285.347 1.848 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(F)cc2C#N)C1=O ZINC000337200297 360020911 /nfs/dbraw/zinc/02/09/11/360020911.db2.gz BPJAOPFEUQHARP-OAHLLOKOSA-N 1 2 287.338 1.916 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2C#N)C1=O ZINC000337200297 360020915 /nfs/dbraw/zinc/02/09/15/360020915.db2.gz BPJAOPFEUQHARP-OAHLLOKOSA-N 1 2 287.338 1.916 20 30 CDEDLO C=CCCS(=O)(=O)N(CCOC)c1cc[nH+]cc1 ZINC000121644153 360564016 /nfs/dbraw/zinc/56/40/16/360564016.db2.gz BKNWVEIZCPITMQ-UHFFFAOYSA-N 1 2 270.354 1.440 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCC[C@@H]2C#N)CCO1 ZINC000426236318 360651448 /nfs/dbraw/zinc/65/14/48/360651448.db2.gz FOZXLJGSZUEPAI-MGPQQGTHSA-N 1 2 294.399 1.089 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCC[C@@H]2C#N)CCO1 ZINC000426236318 360651455 /nfs/dbraw/zinc/65/14/55/360651455.db2.gz FOZXLJGSZUEPAI-MGPQQGTHSA-N 1 2 294.399 1.089 20 30 CDEDLO COc1cccc([C@@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000583503178 360695866 /nfs/dbraw/zinc/69/58/66/360695866.db2.gz SELHBZYKVLVIBX-WBMJQRKESA-N 1 2 289.379 1.759 20 30 CDEDLO N#Cc1cnc(NC[C@H]2C[NH+]3CCN2CC3)c(Cl)c1 ZINC000179075717 189167018 /nfs/dbraw/zinc/16/70/18/189167018.db2.gz IULWBXDDRCBFLN-NSHDSACASA-N 1 2 277.759 1.018 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](COC)C1 ZINC000246523886 360872566 /nfs/dbraw/zinc/87/25/66/360872566.db2.gz BXRQUKLLLLKCEX-UONOGXRCSA-N 1 2 284.400 1.147 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@@H](COC)C1 ZINC000246523886 360872572 /nfs/dbraw/zinc/87/25/72/360872572.db2.gz BXRQUKLLLLKCEX-UONOGXRCSA-N 1 2 284.400 1.147 20 30 CDEDLO N#CCC1(CNC(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000430160959 360906586 /nfs/dbraw/zinc/90/65/86/360906586.db2.gz BJMHHNRESDLUAW-UHFFFAOYSA-N 1 2 287.367 1.877 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+](C)Cc1cnccn1 ZINC000179662368 189210916 /nfs/dbraw/zinc/21/09/16/189210916.db2.gz XKMXTVYECQUTKT-UHFFFAOYSA-N 1 2 268.320 1.989 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+](C)Cc1cnccn1 ZINC000179662368 189210917 /nfs/dbraw/zinc/21/09/17/189210917.db2.gz XKMXTVYECQUTKT-UHFFFAOYSA-N 1 2 268.320 1.989 20 30 CDEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC(C)(C)C#N ZINC000433303071 361230045 /nfs/dbraw/zinc/23/00/45/361230045.db2.gz KCZQKSNJZQDKFW-CQSZACIVSA-N 1 2 262.357 1.276 20 30 CDEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC(C)(C)C#N ZINC000433303071 361230047 /nfs/dbraw/zinc/23/00/47/361230047.db2.gz KCZQKSNJZQDKFW-CQSZACIVSA-N 1 2 262.357 1.276 20 30 CDEDLO C[C@@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)CC(C)(C)C#N ZINC000433307826 361231522 /nfs/dbraw/zinc/23/15/22/361231522.db2.gz WBAPMIIIXTUQDX-NWDGAFQWSA-N 1 2 267.373 1.152 20 30 CDEDLO C[C@@H](C(=O)NC[C@H]1CCCO1)[N@@H+](C)CC(C)(C)C#N ZINC000433307826 361231526 /nfs/dbraw/zinc/23/15/26/361231526.db2.gz WBAPMIIIXTUQDX-NWDGAFQWSA-N 1 2 267.373 1.152 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCc2ccsc2C1)C1CC1 ZINC000132750645 361269804 /nfs/dbraw/zinc/26/98/04/361269804.db2.gz LUMXAXBTSPKLSO-HNNXBMFYSA-N 1 2 289.404 1.915 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCc2ccsc2C1)C1CC1 ZINC000132750645 361269811 /nfs/dbraw/zinc/26/98/11/361269811.db2.gz LUMXAXBTSPKLSO-HNNXBMFYSA-N 1 2 289.404 1.915 20 30 CDEDLO CC(=O)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000183940006 189371882 /nfs/dbraw/zinc/37/18/82/189371882.db2.gz MZUVCFCKMFSZIL-LBPRGKRZSA-N 1 2 257.337 1.783 20 30 CDEDLO C#C[C@@H](C)[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000184695432 189392771 /nfs/dbraw/zinc/39/27/71/189392771.db2.gz HUPUTNBHRKUPPD-LDYMZIIASA-N 1 2 281.153 1.587 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000437978552 361700514 /nfs/dbraw/zinc/70/05/14/361700514.db2.gz MWJLJDHXIHURAK-BMFZPTHFSA-N 1 2 299.374 1.258 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000437978552 361700518 /nfs/dbraw/zinc/70/05/18/361700518.db2.gz MWJLJDHXIHURAK-BMFZPTHFSA-N 1 2 299.374 1.258 20 30 CDEDLO CCN(CC)C(=O)C[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000159560558 361724436 /nfs/dbraw/zinc/72/44/36/361724436.db2.gz XKHCJIUUNFPZDN-UHFFFAOYSA-N 1 2 276.355 1.977 20 30 CDEDLO CCN(CC)C(=O)C[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000159560558 361724442 /nfs/dbraw/zinc/72/44/42/361724442.db2.gz XKHCJIUUNFPZDN-UHFFFAOYSA-N 1 2 276.355 1.977 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(CCOC)CC1 ZINC000042565716 364596952 /nfs/dbraw/zinc/59/69/52/364596952.db2.gz GHWGJNWDLCWTST-OAHLLOKOSA-N 1 2 297.443 1.064 20 30 CDEDLO Cc1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)on1 ZINC000268272622 364605776 /nfs/dbraw/zinc/60/57/76/364605776.db2.gz HPJMGZUUEPNMKA-GFCCVEGCSA-N 1 2 298.350 1.355 20 30 CDEDLO Cc1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)on1 ZINC000268272622 364605781 /nfs/dbraw/zinc/60/57/81/364605781.db2.gz HPJMGZUUEPNMKA-GFCCVEGCSA-N 1 2 298.350 1.355 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCOc2ccc(F)cc2)nn1 ZINC000640796035 364650089 /nfs/dbraw/zinc/65/00/89/364650089.db2.gz KPFKTSYCPQMSDL-UHFFFAOYSA-N 1 2 288.326 1.609 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)NC2CCCC2)nn1 ZINC000640805118 364661108 /nfs/dbraw/zinc/66/11/08/364661108.db2.gz OQKKESFMGQTJRX-LBPRGKRZSA-N 1 2 289.383 1.011 20 30 CDEDLO C=C[C@@H]1CCCCN1c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000580148176 364717086 /nfs/dbraw/zinc/71/70/86/364717086.db2.gz MBSSGALMCZSBSK-ZIAGYGMSSA-N 1 2 288.395 1.983 20 30 CDEDLO C=C[C@@H]1CCCCN1c1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000580148176 364717089 /nfs/dbraw/zinc/71/70/89/364717089.db2.gz MBSSGALMCZSBSK-ZIAGYGMSSA-N 1 2 288.395 1.983 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)NC(C)(C)CC)nn1 ZINC000640909253 364733114 /nfs/dbraw/zinc/73/31/14/364733114.db2.gz KITASGBATFFVMJ-GFCCVEGCSA-N 1 2 291.399 1.257 20 30 CDEDLO C=CCOCCn1cc(C[NH2+]Cc2ccc(F)cc2)nn1 ZINC000641030021 364853346 /nfs/dbraw/zinc/85/33/46/364853346.db2.gz ONQGMMPGAYMDKN-UHFFFAOYSA-N 1 2 290.342 1.910 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)cc1C#N ZINC000249547593 364861089 /nfs/dbraw/zinc/86/10/89/364861089.db2.gz GSELVPXWDOMNSW-BXUZGUMPSA-N 1 2 287.363 1.653 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)cc1C#N ZINC000249547593 364861091 /nfs/dbraw/zinc/86/10/91/364861091.db2.gz GSELVPXWDOMNSW-BXUZGUMPSA-N 1 2 287.363 1.653 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H](C(N)=O)C1 ZINC000249547129 364861245 /nfs/dbraw/zinc/86/12/45/364861245.db2.gz GMVDNHHDOXMBEE-QMTHXVAHSA-N 1 2 275.327 1.783 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H](C(N)=O)C1 ZINC000249547129 364861249 /nfs/dbraw/zinc/86/12/49/364861249.db2.gz GMVDNHHDOXMBEE-QMTHXVAHSA-N 1 2 275.327 1.783 20 30 CDEDLO C=CCCCCCn1cc(C[N@H+](C)CCO)nn1 ZINC000641043507 364883552 /nfs/dbraw/zinc/88/35/52/364883552.db2.gz CTXWIEATOQQFOY-UHFFFAOYSA-N 1 2 252.362 1.449 20 30 CDEDLO C=CCCCCCn1cc(C[N@@H+](C)CCO)nn1 ZINC000641043507 364883559 /nfs/dbraw/zinc/88/35/59/364883559.db2.gz CTXWIEATOQQFOY-UHFFFAOYSA-N 1 2 252.362 1.449 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccncc2Cl)nn1 ZINC000641072126 364952917 /nfs/dbraw/zinc/95/29/17/364952917.db2.gz ALUBYNHBCJJAQF-UHFFFAOYSA-N 1 2 275.743 1.488 20 30 CDEDLO NC(CN1CCOCC1)=[NH+]OCc1cc(F)ccc1F ZINC000171891675 365421439 /nfs/dbraw/zinc/42/14/39/365421439.db2.gz QYFBBTHEQFXEOB-UHFFFAOYSA-N 1 2 285.294 1.086 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000234543612 367614550 /nfs/dbraw/zinc/61/45/50/367614550.db2.gz LPAAMMPBEGAWRA-ZDUSSCGKSA-N 1 2 274.320 1.704 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000234543612 367614553 /nfs/dbraw/zinc/61/45/53/367614553.db2.gz LPAAMMPBEGAWRA-ZDUSSCGKSA-N 1 2 274.320 1.704 20 30 CDEDLO C=CCN1CC[C@@H](N(C)c2cc[nH+]c(C(C)C)n2)C1=O ZINC000358684036 367872186 /nfs/dbraw/zinc/87/21/86/367872186.db2.gz QQEZNCGKGWNTAY-GFCCVEGCSA-N 1 2 274.368 1.823 20 30 CDEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000128653358 368483251 /nfs/dbraw/zinc/48/32/51/368483251.db2.gz HUODISNQRSAYEF-LLVKDONJSA-N 1 2 293.754 1.433 20 30 CDEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000128653358 368483252 /nfs/dbraw/zinc/48/32/52/368483252.db2.gz HUODISNQRSAYEF-LLVKDONJSA-N 1 2 293.754 1.433 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nnc(C)o1 ZINC000541684642 368662767 /nfs/dbraw/zinc/66/27/67/368662767.db2.gz DDQJVYVTIHYGQW-WDEREUQCSA-N 1 2 278.356 1.618 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000187676876 284123131 /nfs/dbraw/zinc/12/31/31/284123131.db2.gz RQESHJHWUPUFEB-RISCZKNCSA-N 1 2 274.320 1.493 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000187676876 284123132 /nfs/dbraw/zinc/12/31/32/284123132.db2.gz RQESHJHWUPUFEB-RISCZKNCSA-N 1 2 274.320 1.493 20 30 CDEDLO C[C@@H]1C[C@@H](NC(=O)COc2ccccc2C#N)c2[nH+]ccn21 ZINC000456356544 252428377 /nfs/dbraw/zinc/42/83/77/252428377.db2.gz BFKQRNGEKHUSES-DGCLKSJQSA-N 1 2 296.330 1.956 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)c3ccccc32)CC1 ZINC000276454628 193337446 /nfs/dbraw/zinc/33/74/46/193337446.db2.gz MVCNIIKYSNDIGY-MRXNPFEDSA-N 1 2 296.370 1.524 20 30 CDEDLO CN(Cc1ccc(C#N)cc1)C(=O)CCc1c[nH+]cn1C ZINC000276590429 193392416 /nfs/dbraw/zinc/39/24/16/193392416.db2.gz NBHYGKKWKYSMNM-UHFFFAOYSA-N 1 2 282.347 1.883 20 30 CDEDLO N#CCC1CC[NH+](Cc2ncnn2CC(F)F)CC1 ZINC000555541294 370234420 /nfs/dbraw/zinc/23/44/20/370234420.db2.gz YLTFGFDSXPUODS-UHFFFAOYSA-N 1 2 269.299 1.669 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccc2c(c1)CCC2 ZINC000564512541 370242464 /nfs/dbraw/zinc/24/24/64/370242464.db2.gz WEINOLAQJZOPMG-QGZVFWFLSA-N 1 2 285.391 1.678 20 30 CDEDLO Cc1sc(NC(=O)C[NH+]2CCC(O)CC2)c(C#N)c1C ZINC000049855036 370451197 /nfs/dbraw/zinc/45/11/97/370451197.db2.gz UVFAIWTVSGATES-UHFFFAOYSA-N 1 2 293.392 1.632 20 30 CDEDLO Cc1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cnn1C(C)(C)C ZINC000573376288 371521813 /nfs/dbraw/zinc/52/18/13/371521813.db2.gz NFCJTZGIHZOVJK-HNNXBMFYSA-N 1 2 291.399 1.520 20 30 CDEDLO Cc1cc(NC(=O)[C@H](C)[NH+]2CC(C)C2)n(CCC#N)n1 ZINC000573623014 371603085 /nfs/dbraw/zinc/60/30/85/371603085.db2.gz GUOQCNSNVQIWAJ-LBPRGKRZSA-N 1 2 275.356 1.384 20 30 CDEDLO CCc1cccc(NC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000573713563 371634841 /nfs/dbraw/zinc/63/48/41/371634841.db2.gz YFWSQWRGPQLAMS-HNNXBMFYSA-N 1 2 261.369 1.867 20 30 CDEDLO CCc1cccc(NC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000573713563 371634849 /nfs/dbraw/zinc/63/48/49/371634849.db2.gz YFWSQWRGPQLAMS-HNNXBMFYSA-N 1 2 261.369 1.867 20 30 CDEDLO CC#CC[NH+]1CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000172733450 372412840 /nfs/dbraw/zinc/41/28/40/372412840.db2.gz XUVGLKGZGMGSNT-UHFFFAOYSA-N 1 2 288.391 1.845 20 30 CDEDLO CC#CCN1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000172733450 372412843 /nfs/dbraw/zinc/41/28/43/372412843.db2.gz XUVGLKGZGMGSNT-UHFFFAOYSA-N 1 2 288.391 1.845 20 30 CDEDLO N#CCC1CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000579429072 372563949 /nfs/dbraw/zinc/56/39/49/372563949.db2.gz UPAGALXZCILVPA-UHFFFAOYSA-N 1 2 251.721 1.842 20 30 CDEDLO N#CCC1CCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000579429072 372563959 /nfs/dbraw/zinc/56/39/59/372563959.db2.gz UPAGALXZCILVPA-UHFFFAOYSA-N 1 2 251.721 1.842 20 30 CDEDLO Cc1noc(C)c1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360071388 373510043 /nfs/dbraw/zinc/51/00/43/373510043.db2.gz ZNQJDAVLBBPSJJ-CQSZACIVSA-N 1 2 284.319 1.479 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)cc1F ZINC000192024135 373572451 /nfs/dbraw/zinc/57/24/51/373572451.db2.gz MYUFOLDOIWVBSP-HNNXBMFYSA-N 1 2 287.338 1.940 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)cc1F ZINC000192024135 373572458 /nfs/dbraw/zinc/57/24/58/373572458.db2.gz MYUFOLDOIWVBSP-HNNXBMFYSA-N 1 2 287.338 1.940 20 30 CDEDLO C=CCOc1cccnc1C(=O)NCCCn1cc[nH+]c1 ZINC000341421840 373680772 /nfs/dbraw/zinc/68/07/72/373680772.db2.gz WDEYFGGPHMXLPP-UHFFFAOYSA-N 1 2 286.335 1.663 20 30 CDEDLO CCn1nccc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000122934858 373696674 /nfs/dbraw/zinc/69/66/74/373696674.db2.gz NFUWLADZGNIYHV-UHFFFAOYSA-N 1 2 296.378 1.492 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000491241946 261385228 /nfs/dbraw/zinc/38/52/28/261385228.db2.gz MMKZRRPJBCKQQO-NSHDSACASA-N 1 2 255.321 1.120 20 30 CDEDLO Cn1cc(C#N)cc1-c1nc([C@H]2C[N@@H+](C3CC3)CCO2)no1 ZINC000356679557 373860740 /nfs/dbraw/zinc/86/07/40/373860740.db2.gz PELGDQGAQUQQKM-CYBMUJFWSA-N 1 2 299.334 1.482 20 30 CDEDLO Cn1cc(C#N)cc1-c1nc([C@H]2C[N@H+](C3CC3)CCO2)no1 ZINC000356679557 373860750 /nfs/dbraw/zinc/86/07/50/373860750.db2.gz PELGDQGAQUQQKM-CYBMUJFWSA-N 1 2 299.334 1.482 20 30 CDEDLO N#Cc1nccnc1NCCc1[nH]c2ccccc2[nH+]1 ZINC000301146156 373868122 /nfs/dbraw/zinc/86/81/22/373868122.db2.gz ASWMRHAFQOZNKP-UHFFFAOYSA-N 1 2 264.292 1.879 20 30 CDEDLO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(C#N)s2)[C@@H](C)C1 ZINC000356911934 373876064 /nfs/dbraw/zinc/87/60/64/373876064.db2.gz ODMRCHITVNDKSE-QWRGUYRKSA-N 1 2 293.392 1.147 20 30 CDEDLO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(C#N)s2)[C@@H](C)C1 ZINC000356911934 373876075 /nfs/dbraw/zinc/87/60/75/373876075.db2.gz ODMRCHITVNDKSE-QWRGUYRKSA-N 1 2 293.392 1.147 20 30 CDEDLO COCC[C@H]1COCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000361254068 374037871 /nfs/dbraw/zinc/03/78/71/374037871.db2.gz VUIUVRRATOTICD-LBPRGKRZSA-N 1 2 266.366 1.857 20 30 CDEDLO COCC[C@H]1COCC[N@H+]1Cc1cc(C#N)cs1 ZINC000361254068 374037879 /nfs/dbraw/zinc/03/78/79/374037879.db2.gz VUIUVRRATOTICD-LBPRGKRZSA-N 1 2 266.366 1.857 20 30 CDEDLO N#Cc1ccsc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000052028052 374103410 /nfs/dbraw/zinc/10/34/10/374103410.db2.gz RQUNHEDNDABVMC-UHFFFAOYSA-N 1 2 298.371 1.977 20 30 CDEDLO COC(=O)C(C)(C)[NH2+]CCOc1ccccc1C#N ZINC000066495771 374336427 /nfs/dbraw/zinc/33/64/27/374336427.db2.gz OBGXKXPSPPNPMZ-UHFFFAOYSA-N 1 2 262.309 1.478 20 30 CDEDLO CS(=O)(=O)CC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000371336171 374416791 /nfs/dbraw/zinc/41/67/91/374416791.db2.gz PONPZBCOXUKKQL-UHFFFAOYSA-N 1 2 290.388 1.692 20 30 CDEDLO CS(=O)(=O)CC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000371336171 374416795 /nfs/dbraw/zinc/41/67/95/374416795.db2.gz PONPZBCOXUKKQL-UHFFFAOYSA-N 1 2 290.388 1.692 20 30 CDEDLO C=CCCC(=O)N1CCC[N@@H+](CC(=O)OCC)CC1 ZINC000102357667 374418142 /nfs/dbraw/zinc/41/81/42/374418142.db2.gz BKDQIWRFZLKVHE-UHFFFAOYSA-N 1 2 268.357 1.050 20 30 CDEDLO C=CCCC(=O)N1CCC[N@H+](CC(=O)OCC)CC1 ZINC000102357667 374418148 /nfs/dbraw/zinc/41/81/48/374418148.db2.gz BKDQIWRFZLKVHE-UHFFFAOYSA-N 1 2 268.357 1.050 20 30 CDEDLO N#Cc1cccc(N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000080116796 374446824 /nfs/dbraw/zinc/44/68/24/374446824.db2.gz LHCPSYZWGMUNKX-UHFFFAOYSA-N 1 2 265.320 1.675 20 30 CDEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CCS(=O)(=O)[C@@H]3C2)c1 ZINC000352977985 374505110 /nfs/dbraw/zinc/50/51/10/374505110.db2.gz SEYNYFPAWFNPEY-ZIAGYGMSSA-N 1 2 276.361 1.177 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CCS(=O)(=O)[C@@H]3C2)c1 ZINC000352977985 374505113 /nfs/dbraw/zinc/50/51/13/374505113.db2.gz SEYNYFPAWFNPEY-ZIAGYGMSSA-N 1 2 276.361 1.177 20 30 CDEDLO Cc1cccc2nc(C[N@@H+](C)[C@H](C)CC#N)cc(=O)n12 ZINC000123809914 374725938 /nfs/dbraw/zinc/72/59/38/374725938.db2.gz BHCZVEJTZSAPDH-LLVKDONJSA-N 1 2 270.336 1.737 20 30 CDEDLO Cc1cccc2nc(C[N@H+](C)[C@H](C)CC#N)cc(=O)n12 ZINC000123809914 374725941 /nfs/dbraw/zinc/72/59/41/374725941.db2.gz BHCZVEJTZSAPDH-LLVKDONJSA-N 1 2 270.336 1.737 20 30 CDEDLO CCc1nnc(C[NH2+]Cc2ccc(C#N)c(C)c2)[nH]1 ZINC000449346686 374801867 /nfs/dbraw/zinc/80/18/67/374801867.db2.gz CAOQBEAKRIHWJM-UHFFFAOYSA-N 1 2 255.325 1.837 20 30 CDEDLO CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccn1 ZINC000125334967 374923289 /nfs/dbraw/zinc/92/32/89/374923289.db2.gz JARLNNZWMIYGRC-INIZCTEOSA-N 1 2 286.379 1.712 20 30 CDEDLO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccn1 ZINC000125334967 374923297 /nfs/dbraw/zinc/92/32/97/374923297.db2.gz JARLNNZWMIYGRC-INIZCTEOSA-N 1 2 286.379 1.712 20 30 CDEDLO CS(=O)(=O)[C@@H]1CC[N@H+](CCOc2ccccc2C#N)C1 ZINC000282320531 375079698 /nfs/dbraw/zinc/07/96/98/375079698.db2.gz UIICBNPBOGJRRS-CYBMUJFWSA-N 1 2 294.376 1.056 20 30 CDEDLO CS(=O)(=O)[C@@H]1CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000282320531 375079702 /nfs/dbraw/zinc/07/97/02/375079702.db2.gz UIICBNPBOGJRRS-CYBMUJFWSA-N 1 2 294.376 1.056 20 30 CDEDLO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H](C)C#N ZINC000049000619 375390173 /nfs/dbraw/zinc/39/01/73/375390173.db2.gz PAVARGDYGNKRJU-FZMZJTMJSA-N 1 2 262.357 1.276 20 30 CDEDLO CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H](C)C#N ZINC000049000619 375390180 /nfs/dbraw/zinc/39/01/80/375390180.db2.gz PAVARGDYGNKRJU-FZMZJTMJSA-N 1 2 262.357 1.276 20 30 CDEDLO CCc1ncsc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328622711 375900593 /nfs/dbraw/zinc/90/05/93/375900593.db2.gz YIYARDTUVUIYOX-WDEREUQCSA-N 1 2 296.396 1.266 20 30 CDEDLO CCc1ncsc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328622711 375900594 /nfs/dbraw/zinc/90/05/94/375900594.db2.gz YIYARDTUVUIYOX-WDEREUQCSA-N 1 2 296.396 1.266 20 30 CDEDLO C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328661360 375913795 /nfs/dbraw/zinc/91/37/95/375913795.db2.gz ACEWVCVHXNRBAU-FPMFFAJLSA-N 1 2 282.384 1.764 20 30 CDEDLO C[C@@H](C(=O)NC1CCCCC1)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328661360 375913799 /nfs/dbraw/zinc/91/37/99/375913799.db2.gz ACEWVCVHXNRBAU-FPMFFAJLSA-N 1 2 282.384 1.764 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cn2c(n1)CCCC2 ZINC000328701717 375932297 /nfs/dbraw/zinc/93/22/97/375932297.db2.gz JILICYAEQPEHOE-GFCCVEGCSA-N 1 2 292.383 1.245 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cn2c(n1)CCCC2 ZINC000328701717 375932307 /nfs/dbraw/zinc/93/23/07/375932307.db2.gz JILICYAEQPEHOE-GFCCVEGCSA-N 1 2 292.383 1.245 20 30 CDEDLO COc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)nc1 ZINC000435884110 248205302 /nfs/dbraw/zinc/20/53/02/248205302.db2.gz NYYJQSILWISXLX-HNNXBMFYSA-N 1 2 296.330 1.278 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N1CCCCC1 ZINC000249974821 377486224 /nfs/dbraw/zinc/48/62/24/377486224.db2.gz PWAAKVIXZKBJGS-QWHCGFSZSA-N 1 2 251.374 1.869 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N1CCCCC1 ZINC000249974821 377486228 /nfs/dbraw/zinc/48/62/28/377486228.db2.gz PWAAKVIXZKBJGS-QWHCGFSZSA-N 1 2 251.374 1.869 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000265787096 190207201 /nfs/dbraw/zinc/20/72/01/190207201.db2.gz SLYJZQOGKIFNLW-QWHCGFSZSA-N 1 2 265.357 1.617 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000280351741 377950191 /nfs/dbraw/zinc/95/01/91/377950191.db2.gz JAQYWMCGGZQPLC-GOEBONIOSA-N 1 2 294.395 1.067 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000280351741 377950194 /nfs/dbraw/zinc/95/01/94/377950194.db2.gz JAQYWMCGGZQPLC-GOEBONIOSA-N 1 2 294.395 1.067 20 30 CDEDLO CN(CCC#N)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000078920446 377902961 /nfs/dbraw/zinc/90/29/61/377902961.db2.gz IADCBVDRZACHAY-UHFFFAOYSA-N 1 2 299.290 1.766 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)C[C@@H](C)O1 ZINC000191540639 378095867 /nfs/dbraw/zinc/09/58/67/378095867.db2.gz PEPDONWDGIDRID-BXUZGUMPSA-N 1 2 263.341 1.132 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)C[C@@H](C)O1 ZINC000191540639 378095869 /nfs/dbraw/zinc/09/58/69/378095869.db2.gz PEPDONWDGIDRID-BXUZGUMPSA-N 1 2 263.341 1.132 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000135584681 378231727 /nfs/dbraw/zinc/23/17/27/378231727.db2.gz PAMRKZFMMANIMM-HNNXBMFYSA-N 1 2 266.385 1.688 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@@](C)(CC)C1 ZINC000135584681 378231734 /nfs/dbraw/zinc/23/17/34/378231734.db2.gz PAMRKZFMMANIMM-HNNXBMFYSA-N 1 2 266.385 1.688 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc([C@H](C)O)s2)C1=O ZINC000289736207 378347252 /nfs/dbraw/zinc/34/72/52/378347252.db2.gz PEKHYWKOBLEZMN-JQWIXIFHSA-N 1 2 295.408 1.415 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc([C@H](C)O)s2)C1=O ZINC000289736207 378347257 /nfs/dbraw/zinc/34/72/57/378347257.db2.gz PEKHYWKOBLEZMN-JQWIXIFHSA-N 1 2 295.408 1.415 20 30 CDEDLO CCc1ccc(C#CC(=O)N(C)Cc2[nH+]ccn2C)cc1 ZINC000293246968 378550288 /nfs/dbraw/zinc/55/02/88/378550288.db2.gz WKJRJTDAHZVONI-UHFFFAOYSA-N 1 2 281.359 1.993 20 30 CDEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000293189510 378560787 /nfs/dbraw/zinc/56/07/87/378560787.db2.gz QELPZQZPJUICJQ-LLVKDONJSA-N 1 2 274.320 1.697 20 30 CDEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000293189510 378560792 /nfs/dbraw/zinc/56/07/92/378560792.db2.gz QELPZQZPJUICJQ-LLVKDONJSA-N 1 2 274.320 1.697 20 30 CDEDLO C=CCCCS(=O)(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000295850093 378709614 /nfs/dbraw/zinc/70/96/14/378709614.db2.gz DPETUMNHKFWVAL-NSHDSACASA-N 1 2 271.386 1.992 20 30 CDEDLO C#C[C@H](C)NC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000185961669 378832186 /nfs/dbraw/zinc/83/21/86/378832186.db2.gz UZXQUBMBUAPQOD-AWEZNQCLSA-N 1 2 296.374 1.947 20 30 CDEDLO C#C[C@@H](C)NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000186090493 378853612 /nfs/dbraw/zinc/85/36/12/378853612.db2.gz MOJZHCIQHHISOF-ZWNOBZJWSA-N 1 2 295.333 1.888 20 30 CDEDLO CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000343559477 378927764 /nfs/dbraw/zinc/92/77/64/378927764.db2.gz UQGZQWPOPQXUSI-MRXNPFEDSA-N 1 2 287.363 1.090 20 30 CDEDLO CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000343559477 378927766 /nfs/dbraw/zinc/92/77/66/378927766.db2.gz UQGZQWPOPQXUSI-MRXNPFEDSA-N 1 2 287.363 1.090 20 30 CDEDLO C[C@H]1CC[S@](=O)CC[N@@H+]1CC#Cc1ccccc1 ZINC000334584368 379425291 /nfs/dbraw/zinc/42/52/91/379425291.db2.gz VPKNXRIWPNCDLZ-KSSFIOAISA-N 1 2 261.390 1.881 20 30 CDEDLO C[C@H]1CC[S@](=O)CC[N@H+]1CC#Cc1ccccc1 ZINC000334584368 379425299 /nfs/dbraw/zinc/42/52/99/379425299.db2.gz VPKNXRIWPNCDLZ-KSSFIOAISA-N 1 2 261.390 1.881 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000175088737 379633889 /nfs/dbraw/zinc/63/38/89/379633889.db2.gz UJOXZLKVFANIQJ-UHFFFAOYSA-N 1 2 281.319 1.244 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000267614988 190341281 /nfs/dbraw/zinc/34/12/81/190341281.db2.gz CCUBULOVXHPIPN-CQSZACIVSA-N 1 2 262.284 1.645 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000267614988 190341282 /nfs/dbraw/zinc/34/12/82/190341282.db2.gz CCUBULOVXHPIPN-CQSZACIVSA-N 1 2 262.284 1.645 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000279239732 194348695 /nfs/dbraw/zinc/34/86/95/194348695.db2.gz QCYWGHYWSFAETA-CQSZACIVSA-N 1 2 263.341 1.443 20 30 CDEDLO C[C@@H](C[N@H+](C)Cc1ccc(C#N)cc1)S(C)(=O)=O ZINC000450224701 251182469 /nfs/dbraw/zinc/18/24/69/251182469.db2.gz CMEDIKGKOFTSMK-NSHDSACASA-N 1 2 266.366 1.423 20 30 CDEDLO C[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1)S(C)(=O)=O ZINC000450224701 251182472 /nfs/dbraw/zinc/18/24/72/251182472.db2.gz CMEDIKGKOFTSMK-NSHDSACASA-N 1 2 266.366 1.423 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)/C=C\c1ccc(C#N)cc1 ZINC000490982282 253057903 /nfs/dbraw/zinc/05/79/03/253057903.db2.gz LCPKSOQUQHCXSD-FPLPWBNLSA-N 1 2 280.331 1.964 20 30 CDEDLO N#Cc1cccc(/C=C/C(=O)N2CCn3cc[nH+]c3C2)c1 ZINC000491883548 253112416 /nfs/dbraw/zinc/11/24/16/253112416.db2.gz MDPXQJVNHWZHAB-SNAWJCMRSA-N 1 2 278.315 1.810 20 30 CDEDLO C#C[C@@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C(C)C ZINC000281220524 195154005 /nfs/dbraw/zinc/15/40/05/195154005.db2.gz DITGOIQTQZZRCH-UONOGXRCSA-N 1 2 286.379 1.617 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](CC(C)C)C(=O)OCC)C1=O ZINC000281377500 195215949 /nfs/dbraw/zinc/21/59/49/195215949.db2.gz OXRVAAKFSGWVGK-UONOGXRCSA-N 1 2 296.411 1.683 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](CC(C)C)C(=O)OCC)C1=O ZINC000281377500 195215952 /nfs/dbraw/zinc/21/59/52/195215952.db2.gz OXRVAAKFSGWVGK-UONOGXRCSA-N 1 2 296.411 1.683 20 30 CDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccccc2C#N)[C@@H](C)C1 ZINC000352619634 285330157 /nfs/dbraw/zinc/33/01/57/285330157.db2.gz VHRQXFRVFDPCKX-LBPRGKRZSA-N 1 2 293.392 1.273 20 30 CDEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccccc2C#N)[C@@H](C)C1 ZINC000352619634 285330161 /nfs/dbraw/zinc/33/01/61/285330161.db2.gz VHRQXFRVFDPCKX-LBPRGKRZSA-N 1 2 293.392 1.273 20 30 CDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(C#N)cc1 ZINC000285682564 390181601 /nfs/dbraw/zinc/18/16/01/390181601.db2.gz GJZKVGDPPCDMAV-BBRMVZONSA-N 1 2 299.374 1.493 20 30 CDEDLO C=CCN1CC[C@H](N(C)Cc2cn3cc(C)ccc3[nH+]2)C1=O ZINC000281518994 195272875 /nfs/dbraw/zinc/27/28/75/195272875.db2.gz ZGCBZHWAGZDULC-HNNXBMFYSA-N 1 2 298.390 1.861 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cn3cc(C)ccc3n2)C1=O ZINC000281518994 195272878 /nfs/dbraw/zinc/27/28/78/195272878.db2.gz ZGCBZHWAGZDULC-HNNXBMFYSA-N 1 2 298.390 1.861 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cn3cc(C)ccc3n2)C1=O ZINC000281518994 195272881 /nfs/dbraw/zinc/27/28/81/195272881.db2.gz ZGCBZHWAGZDULC-HNNXBMFYSA-N 1 2 298.390 1.861 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)c1cccc(C#N)c1 ZINC000048375659 390391327 /nfs/dbraw/zinc/39/13/27/390391327.db2.gz YNMAEWRLOWXBBZ-UHFFFAOYSA-N 1 2 254.293 1.564 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1cccnc1 ZINC000119047449 390839460 /nfs/dbraw/zinc/83/94/60/390839460.db2.gz FKPWDCANPPOTNY-ZDUSSCGKSA-N 1 2 274.368 1.522 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1cccnc1 ZINC000119047449 390839462 /nfs/dbraw/zinc/83/94/62/390839462.db2.gz FKPWDCANPPOTNY-ZDUSSCGKSA-N 1 2 274.368 1.522 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)C2(C3CC3)CCOCC2)C1 ZINC000329595386 391024061 /nfs/dbraw/zinc/02/40/61/391024061.db2.gz BULRYUGRRZBNGY-ZDUSSCGKSA-N 1 2 282.384 1.480 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNC(=O)C2(C3CC3)CCOCC2)C1 ZINC000329595386 391024066 /nfs/dbraw/zinc/02/40/66/391024066.db2.gz BULRYUGRRZBNGY-ZDUSSCGKSA-N 1 2 282.384 1.480 20 30 CDEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+][C@@H]1CC[C@@H](F)C1 ZINC000329451166 390990538 /nfs/dbraw/zinc/99/05/38/390990538.db2.gz LOZYOBFLFTWPPC-QJPTWQEYSA-N 1 2 280.347 1.840 20 30 CDEDLO [O-]C(N[C@@H]1CC[C@@H](F)C1)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329451166 390990540 /nfs/dbraw/zinc/99/05/40/390990540.db2.gz LOZYOBFLFTWPPC-QJPTWQEYSA-N 1 2 280.347 1.840 20 30 CDEDLO COC(=O)C[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000048372239 391009237 /nfs/dbraw/zinc/00/92/37/391009237.db2.gz BWZLJDQJSMKHSQ-UHFFFAOYSA-N 1 2 281.337 1.053 20 30 CDEDLO COC(=O)C[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000048372239 391009241 /nfs/dbraw/zinc/00/92/41/391009241.db2.gz 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/nfs/dbraw/zinc/11/94/20/391119420.db2.gz OZDBGVCMASOQBI-QWHCGFSZSA-N 1 2 257.337 1.309 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@H](c2ccccn2)CC1=O ZINC000491417978 391119425 /nfs/dbraw/zinc/11/94/25/391119425.db2.gz OZDBGVCMASOQBI-QWHCGFSZSA-N 1 2 257.337 1.309 20 30 CDEDLO CCN(CC)c1ccc(CNS(=O)(=O)[C@@H](C)C#N)c[nH+]1 ZINC000352412707 391128285 /nfs/dbraw/zinc/12/82/85/391128285.db2.gz HZWASRDDZDSHAW-NSHDSACASA-N 1 2 296.396 1.259 20 30 CDEDLO C[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)C[C@]2(CCOC2)O1 ZINC000373795618 391132482 /nfs/dbraw/zinc/13/24/82/391132482.db2.gz FLTDQWWXVMBLTB-RDBSUJKOSA-N 1 2 263.341 1.310 20 30 CDEDLO C[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)C[C@]2(CCOC2)O1 ZINC000373795618 391132483 /nfs/dbraw/zinc/13/24/83/391132483.db2.gz FLTDQWWXVMBLTB-RDBSUJKOSA-N 1 2 263.341 1.310 20 30 CDEDLO CC(C)N(C)C(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352480510 391155431 /nfs/dbraw/zinc/15/54/31/391155431.db2.gz CTKCCNDUVTVCCR-NSHDSACASA-N 1 2 255.337 1.569 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)CCCC#N)CCC2 ZINC000374437817 391163530 /nfs/dbraw/zinc/16/35/30/391163530.db2.gz QEWHVPQGPUANOK-LBPRGKRZSA-N 1 2 296.396 1.292 20 30 CDEDLO COC(=O)c1coc(CO[NH+]=C(N)[C@H](C)OCC(C)C)c1 ZINC000266225234 391172721 /nfs/dbraw/zinc/17/27/21/391172721.db2.gz SJPYDJLRTCUMLW-JTQLQIEISA-N 1 2 298.339 1.916 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338622410 391216222 /nfs/dbraw/zinc/21/62/22/391216222.db2.gz CKZVSKKOENCXCS-JSGCOSHPSA-N 1 2 297.374 1.124 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338622410 391216225 /nfs/dbraw/zinc/21/62/25/391216225.db2.gz CKZVSKKOENCXCS-JSGCOSHPSA-N 1 2 297.374 1.124 20 30 CDEDLO CC#CCCCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376172370 391216785 /nfs/dbraw/zinc/21/67/85/391216785.db2.gz LBKWAHHGOGZRIU-LSDHHAIUSA-N 1 2 278.396 1.502 20 30 CDEDLO C=C(C)Cn1c(C)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000338805195 391225508 /nfs/dbraw/zinc/22/55/08/391225508.db2.gz 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391339595 /nfs/dbraw/zinc/33/95/95/391339595.db2.gz YKHXUMIXLBTBLX-AWEZNQCLSA-N 1 2 283.416 1.753 20 30 CDEDLO CC[C@@H](C(=O)N[C@@H](C)CC#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000330462341 391426650 /nfs/dbraw/zinc/42/66/50/391426650.db2.gz TUUMKBYKIIDOJU-XQQFMLRXSA-N 1 2 267.373 1.294 20 30 CDEDLO CC[C@@H](C(=O)N[C@@H](C)CC#N)[N@H+]1CCO[C@H](CC)C1 ZINC000330462341 391426654 /nfs/dbraw/zinc/42/66/54/391426654.db2.gz TUUMKBYKIIDOJU-XQQFMLRXSA-N 1 2 267.373 1.294 20 30 CDEDLO C=CCN(C)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411386006 391443176 /nfs/dbraw/zinc/44/31/76/391443176.db2.gz LAARVLAXSWZPHT-UHFFFAOYSA-N 1 2 261.325 1.590 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1csnn1 ZINC000412034586 391564120 /nfs/dbraw/zinc/56/41/20/391564120.db2.gz GFVKTOFXADMCMH-MNOVXSKESA-N 1 2 280.397 1.778 20 30 CDEDLO C[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)C[C@@]2(CCCOC2)O1 ZINC000366570584 391612453 /nfs/dbraw/zinc/61/24/53/391612453.db2.gz LBYPOULLUWCTHI-RBSFLKMASA-N 1 2 277.368 1.700 20 30 CDEDLO C[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)C[C@@]2(CCCOC2)O1 ZINC000366570584 391612457 /nfs/dbraw/zinc/61/24/57/391612457.db2.gz LBYPOULLUWCTHI-RBSFLKMASA-N 1 2 277.368 1.700 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2c2nc(C)no2)C1=O ZINC000285728758 391715647 /nfs/dbraw/zinc/71/56/47/391715647.db2.gz QOACFFMHDQSIJT-QWHCGFSZSA-N 1 2 290.367 1.692 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2c2nc(C)no2)C1=O ZINC000285728758 391715649 /nfs/dbraw/zinc/71/56/49/391715649.db2.gz QOACFFMHDQSIJT-QWHCGFSZSA-N 1 2 290.367 1.692 20 30 CDEDLO C=CCOC[C@H]([NH2+]CC1CCCCC1)C(=O)OC ZINC000361109158 391682466 /nfs/dbraw/zinc/68/24/66/391682466.db2.gz MBTNIGIVCUAQMO-ZDUSSCGKSA-N 1 2 255.358 1.901 20 30 CDEDLO Cc1ccn2cc(CNC(=O)c3cnccc3C#N)[nH+]c2c1 ZINC000342045016 130218177 /nfs/dbraw/zinc/21/81/77/130218177.db2.gz OJYZOLCMLUHWTE-UHFFFAOYSA-N 1 2 291.314 1.839 20 30 CDEDLO C=CCN1CC(=O)N(CCc2cn3c([nH+]2)CCCC3)C1=O ZINC000372934736 391868269 /nfs/dbraw/zinc/86/82/69/391868269.db2.gz OACPYYKYCYPOEN-UHFFFAOYSA-N 1 2 288.351 1.212 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)c1 ZINC000133042633 391911315 /nfs/dbraw/zinc/91/13/15/391911315.db2.gz LBZKVTKWXSTWLG-CABCVRRESA-N 1 2 269.348 1.801 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)c1 ZINC000133042633 391911317 /nfs/dbraw/zinc/91/13/17/391911317.db2.gz LBZKVTKWXSTWLG-CABCVRRESA-N 1 2 269.348 1.801 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1C(=O)OC ZINC000275011639 392142349 /nfs/dbraw/zinc/14/23/49/392142349.db2.gz RLODETZEWIWZLG-KGLIPLIRSA-N 1 2 296.411 1.685 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](C)C[C@H]1C(=O)OC ZINC000275011639 392142356 /nfs/dbraw/zinc/14/23/56/392142356.db2.gz RLODETZEWIWZLG-KGLIPLIRSA-N 1 2 296.411 1.685 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCOC[C@H]1CC(=O)c1ccco1 ZINC000249387291 131121362 /nfs/dbraw/zinc/12/13/62/131121362.db2.gz QDVXHRHZTZPRMO-ZIAGYGMSSA-N 1 2 293.363 1.880 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCOC[C@H]1CC(=O)c1ccco1 ZINC000249387291 131121363 /nfs/dbraw/zinc/12/13/63/131121363.db2.gz QDVXHRHZTZPRMO-ZIAGYGMSSA-N 1 2 293.363 1.880 20 30 CDEDLO CC#CC[C@@H](CO)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000646408310 392416125 /nfs/dbraw/zinc/41/61/25/392416125.db2.gz JJLIQHJAYFYEGK-ZDUSSCGKSA-N 1 2 275.352 1.903 20 30 CDEDLO C=C(C)CS(=O)(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645895957 392498304 /nfs/dbraw/zinc/49/83/04/392498304.db2.gz WRECVNXGVNPCNK-UHFFFAOYSA-N 1 2 293.392 1.681 20 30 CDEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488991125 392846868 /nfs/dbraw/zinc/84/68/68/392846868.db2.gz WVSKTCBGYRSIRR-LSDHHAIUSA-N 1 2 288.347 1.365 20 30 CDEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488991125 392846872 /nfs/dbraw/zinc/84/68/72/392846872.db2.gz WVSKTCBGYRSIRR-LSDHHAIUSA-N 1 2 288.347 1.365 20 30 CDEDLO CCC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000425238905 393000889 /nfs/dbraw/zinc/00/08/89/393000889.db2.gz NDHTWTMLHCMCOJ-LBPRGKRZSA-N 1 2 258.325 1.106 20 30 CDEDLO Cc1cc(NCC2([C@H](O)C(C)C)CC2)c(C#N)c[nH+]1 ZINC000425248406 393003550 /nfs/dbraw/zinc/00/35/50/393003550.db2.gz RCZNSVOLISPTIY-CQSZACIVSA-N 1 2 259.353 1.893 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000281957636 393163257 /nfs/dbraw/zinc/16/32/57/393163257.db2.gz AWVNHFIYZPXBSN-CYBMUJFWSA-N 1 2 294.376 1.186 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000281957636 393163262 /nfs/dbraw/zinc/16/32/62/393163262.db2.gz AWVNHFIYZPXBSN-CYBMUJFWSA-N 1 2 294.376 1.186 20 30 CDEDLO C=CCn1cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)nn1 ZINC000648756742 393280906 /nfs/dbraw/zinc/28/09/06/393280906.db2.gz KSZHPEORAJPDMB-UHFFFAOYSA-N 1 2 286.339 1.207 20 30 CDEDLO C=CCCNc1nc(NC(C)C)nc(NCCO)[nH+]1 ZINC000664226190 413159106 /nfs/dbraw/zinc/15/91/06/413159106.db2.gz CRIQELZNHKMLMR-UHFFFAOYSA-N 1 2 266.349 1.084 20 30 CDEDLO C=CCCNc1nc(NCCO)nc(NC(C)C)[nH+]1 ZINC000664226190 413159114 /nfs/dbraw/zinc/15/91/14/413159114.db2.gz CRIQELZNHKMLMR-UHFFFAOYSA-N 1 2 266.349 1.084 20 30 CDEDLO C=CCCNc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000664226190 413159120 /nfs/dbraw/zinc/15/91/20/413159120.db2.gz CRIQELZNHKMLMR-UHFFFAOYSA-N 1 2 266.349 1.084 20 30 CDEDLO CCN1CCN(c2cccc(C#N)n2)C[C@H]1c1[nH]cc[nH+]1 ZINC000530374856 397603932 /nfs/dbraw/zinc/60/39/32/397603932.db2.gz XZYPBYGLEQHGGQ-ZDUSSCGKSA-N 1 2 282.351 1.560 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000305720432 149145107 /nfs/dbraw/zinc/14/51/07/149145107.db2.gz JNCBXCLQKMSJCT-SMDDNHRTSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000305720432 149145108 /nfs/dbraw/zinc/14/51/08/149145108.db2.gz JNCBXCLQKMSJCT-SMDDNHRTSA-N 1 2 276.336 1.148 20 30 CDEDLO N#Cc1cccc(C[NH2+]Cc2nnnn2-c2ccccc2)c1 ZINC000315157781 149258562 /nfs/dbraw/zinc/25/85/62/149258562.db2.gz FKVLKWKQHIWZJI-UHFFFAOYSA-N 1 2 290.330 1.824 20 30 CDEDLO N#Cc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)c(F)c1 ZINC000335900573 151096093 /nfs/dbraw/zinc/09/60/93/151096093.db2.gz XWVQREHUOHLGIL-RYUDHWBXSA-N 1 2 252.264 1.602 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)c(F)c1 ZINC000335900573 151096094 /nfs/dbraw/zinc/09/60/94/151096094.db2.gz XWVQREHUOHLGIL-RYUDHWBXSA-N 1 2 252.264 1.602 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000336248940 151389704 /nfs/dbraw/zinc/38/97/04/151389704.db2.gz BRWNBNXYMNYLOK-UHFFFAOYSA-N 1 2 298.346 1.746 20 30 CDEDLO N#Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccccc2)s1 ZINC000343154195 152051482 /nfs/dbraw/zinc/05/14/82/152051482.db2.gz PULDWQHSGBCBRY-CYBMUJFWSA-N 1 2 271.345 1.936 20 30 CDEDLO COc1cc(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)ccc1C#N ZINC000235007670 165046390 /nfs/dbraw/zinc/04/63/90/165046390.db2.gz MAXWYFKXISWPDU-FZMZJTMJSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1cc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)ccc1C#N ZINC000235007670 165046392 /nfs/dbraw/zinc/04/63/92/165046392.db2.gz MAXWYFKXISWPDU-FZMZJTMJSA-N 1 2 276.336 1.148 20 30 CDEDLO C=CC(C)(C)CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000665024537 413800125 /nfs/dbraw/zinc/80/01/25/413800125.db2.gz YUDXCHHRPZQWAE-CHWSQXEVSA-N 1 2 283.416 1.607 20 30 CDEDLO C=CC(C)(C)CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000665024537 413800133 /nfs/dbraw/zinc/80/01/33/413800133.db2.gz YUDXCHHRPZQWAE-CHWSQXEVSA-N 1 2 283.416 1.607 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000662167203 414546706 /nfs/dbraw/zinc/54/67/06/414546706.db2.gz VHZQAMGWNXAZCS-GHMZBOCLSA-N 1 2 269.345 1.440 20 30 CDEDLO C[N@H+](CCS(C)(=O)=O)Cc1ccc(C#N)cc1 ZINC000046527238 175397606 /nfs/dbraw/zinc/39/76/06/175397606.db2.gz YJCDLZZPJZCAJL-UHFFFAOYSA-N 1 2 252.339 1.035 20 30 CDEDLO C[N@@H+](CCS(C)(=O)=O)Cc1ccc(C#N)cc1 ZINC000046527238 175397607 /nfs/dbraw/zinc/39/76/07/175397607.db2.gz YJCDLZZPJZCAJL-UHFFFAOYSA-N 1 2 252.339 1.035 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)C[C@H](C2CC2)O1 ZINC000329971610 228003349 /nfs/dbraw/zinc/00/33/49/228003349.db2.gz XTQYZXUBOGEZFK-BXKDBHETSA-N 1 2 281.356 1.519 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@H](C2CC2)O1 ZINC000329971610 228003352 /nfs/dbraw/zinc/00/33/52/228003352.db2.gz XTQYZXUBOGEZFK-BXKDBHETSA-N 1 2 281.356 1.519 20 30 CDEDLO N#CCCCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000355912358 228048041 /nfs/dbraw/zinc/04/80/41/228048041.db2.gz FTLZPLGHZOZXJD-UHFFFAOYSA-N 1 2 259.300 1.383 20 30 CDEDLO N#C[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000331813976 228129572 /nfs/dbraw/zinc/12/95/72/228129572.db2.gz UKMGUMKBBKPWJH-RWMBFGLXSA-N 1 2 287.367 1.991 20 30 CDEDLO CCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCC#N)o1 ZINC000332378689 260004218 /nfs/dbraw/zinc/00/42/18/260004218.db2.gz NVPREHCPPCTZLT-LBPRGKRZSA-N 1 2 261.325 1.619 20 30 CDEDLO CCc1ccc([C@@H]2CCC[N@H+]2CC(=O)NCC#N)o1 ZINC000332378689 260004219 /nfs/dbraw/zinc/00/42/19/260004219.db2.gz NVPREHCPPCTZLT-LBPRGKRZSA-N 1 2 261.325 1.619 20 30 CDEDLO C=CCNC(=O)[C@H](C)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000106370662 260138623 /nfs/dbraw/zinc/13/86/23/260138623.db2.gz ZGXZGBOBGANGDH-LBPRGKRZSA-N 1 2 290.411 1.592 20 30 CDEDLO NC(=[NH+]OCc1nnnn1C1CC1)c1cccc(Cl)c1 ZINC000077330999 260296674 /nfs/dbraw/zinc/29/66/74/260296674.db2.gz JHJKVYJMRVQDOV-UHFFFAOYSA-N 1 2 292.730 1.499 20 30 CDEDLO OC(NC1=[NH+]CCS1)=C1CCOc2ccccc21 ZINC000078472351 260300582 /nfs/dbraw/zinc/30/05/82/260300582.db2.gz QQAMSZCLXFURKN-JTQLQIEISA-N 1 2 262.334 1.772 20 30 CDEDLO Cc1cc(C)cc(CO[NH+]=C(N)CN2CCOCC2)c1 ZINC000078639886 260301429 /nfs/dbraw/zinc/30/14/29/260301429.db2.gz JPFSOPIHIZJCGL-UHFFFAOYSA-N 1 2 277.368 1.424 20 30 CDEDLO N#CCC[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000155781490 261107403 /nfs/dbraw/zinc/10/74/03/261107403.db2.gz CAUDQBUIVGZWJZ-LBPRGKRZSA-N 1 2 255.325 1.822 20 30 CDEDLO N#CCC[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000155781490 261107404 /nfs/dbraw/zinc/10/74/04/261107404.db2.gz CAUDQBUIVGZWJZ-LBPRGKRZSA-N 1 2 255.325 1.822 20 30 CDEDLO C#CCn1ccc(CN(CC)CC[N@@H+]2CCOC[C@@H]2C)n1 ZINC000490804565 261213576 /nfs/dbraw/zinc/21/35/76/261213576.db2.gz YCUDKLZXJCLYJD-HNNXBMFYSA-N 1 2 290.411 1.059 20 30 CDEDLO C#CCn1ccc(CN(CC)CC[N@H+]2CCOC[C@@H]2C)n1 ZINC000490804565 261213578 /nfs/dbraw/zinc/21/35/78/261213578.db2.gz YCUDKLZXJCLYJD-HNNXBMFYSA-N 1 2 290.411 1.059 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)CCN2CCOC[C@@H]2C)n1 ZINC000490804565 261213579 /nfs/dbraw/zinc/21/35/79/261213579.db2.gz YCUDKLZXJCLYJD-HNNXBMFYSA-N 1 2 290.411 1.059 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)CCN2CCOC[C@@H]2C)n1 ZINC000490804565 261213581 /nfs/dbraw/zinc/21/35/81/261213581.db2.gz YCUDKLZXJCLYJD-HNNXBMFYSA-N 1 2 290.411 1.059 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000490830435 261218910 /nfs/dbraw/zinc/21/89/10/261218910.db2.gz KOVYZOZBMDYUBU-CABZTGNLSA-N 1 2 298.745 1.240 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000248971997 261227366 /nfs/dbraw/zinc/22/73/66/261227366.db2.gz SXAOAOJZNQNVAQ-HIFRSBDPSA-N 1 2 281.400 1.495 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@@](C)(CC)C1 ZINC000248971997 261227367 /nfs/dbraw/zinc/22/73/67/261227367.db2.gz SXAOAOJZNQNVAQ-HIFRSBDPSA-N 1 2 281.400 1.495 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000491241946 261385226 /nfs/dbraw/zinc/38/52/26/261385226.db2.gz MMKZRRPJBCKQQO-NSHDSACASA-N 1 2 255.321 1.120 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)NCC1CCCCC1 ZINC000491267377 261394852 /nfs/dbraw/zinc/39/48/52/261394852.db2.gz SNLCSSBBIKOHNW-OAHLLOKOSA-N 1 2 278.396 1.407 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)NCC1CCCCC1 ZINC000491267377 261394854 /nfs/dbraw/zinc/39/48/54/261394854.db2.gz SNLCSSBBIKOHNW-OAHLLOKOSA-N 1 2 278.396 1.407 20 30 CDEDLO N#CCC[N@H+]1CCCC[C@H]1COC(=O)NC1CC1 ZINC000497265382 262128876 /nfs/dbraw/zinc/12/88/76/262128876.db2.gz OKYNVIFFORMKRL-LBPRGKRZSA-N 1 2 251.330 1.643 20 30 CDEDLO N#CCC[N@@H+]1CCCC[C@H]1COC(=O)NC1CC1 ZINC000497265382 262128877 /nfs/dbraw/zinc/12/88/77/262128877.db2.gz OKYNVIFFORMKRL-LBPRGKRZSA-N 1 2 251.330 1.643 20 30 CDEDLO Cc1ccc(CO[NH+]=C(N)CN2CCOCC2)cc1C ZINC000191494854 262192448 /nfs/dbraw/zinc/19/24/48/262192448.db2.gz VDKZXLRKDGWGBI-UHFFFAOYSA-N 1 2 277.368 1.424 20 30 CDEDLO C#CCCCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000367746632 262275431 /nfs/dbraw/zinc/27/54/31/262275431.db2.gz OCSKTALAXOZTCC-UONOGXRCSA-N 1 2 264.369 1.112 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc2c(c1)CCCO2 ZINC000414127881 262807451 /nfs/dbraw/zinc/80/74/51/262807451.db2.gz QQNCUYHDRZBSNL-AWEZNQCLSA-N 1 2 290.363 1.597 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc2c(c1)CCCO2 ZINC000414127881 262807452 /nfs/dbraw/zinc/80/74/52/262807452.db2.gz QQNCUYHDRZBSNL-AWEZNQCLSA-N 1 2 290.363 1.597 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1nnc(C)s1 ZINC000273647828 263018695 /nfs/dbraw/zinc/01/86/95/263018695.db2.gz VQVOWOADMFAMII-NXEZZACHSA-N 1 2 295.412 1.505 20 30 CDEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCCn2cc[nH+]c2)cc1 ZINC000279693730 263056806 /nfs/dbraw/zinc/05/68/06/263056806.db2.gz IGRXNUHLUDKITH-OAHLLOKOSA-N 1 2 293.330 1.253 20 30 CDEDLO N#Cc1c(CO[NH+]=C(N)[C@@H]2CCCO2)cn2ccccc12 ZINC000283754033 263084007 /nfs/dbraw/zinc/08/40/07/263084007.db2.gz ADQBCTLSQFZOQZ-AWEZNQCLSA-N 1 2 284.319 1.779 20 30 CDEDLO Cc1ccccc1NC(=O)[C@@H](C)O[NH+]=C(N)[C@@H]1CCCO1 ZINC000283904406 263084730 /nfs/dbraw/zinc/08/47/30/263084730.db2.gz DHYTVRPEVMEKLU-YPMHNXCESA-N 1 2 291.351 1.790 20 30 CDEDLO Cc1ccc(CNC(=O)CO[NH+]=C(N)[C@H]2CCCO2)cc1 ZINC000284623683 263087619 /nfs/dbraw/zinc/08/76/19/263087619.db2.gz ZSEJCHNWXKUEKK-CYBMUJFWSA-N 1 2 291.351 1.079 20 30 CDEDLO N#CCCCC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000290880558 263118986 /nfs/dbraw/zinc/11/89/86/263118986.db2.gz BWASBRTTYSYPCQ-UHFFFAOYSA-N 1 2 288.351 1.228 20 30 CDEDLO CCOC1C[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000296166168 263186984 /nfs/dbraw/zinc/18/69/84/263186984.db2.gz NHYZKROVSJVFRS-CQSZACIVSA-N 1 2 290.363 1.213 20 30 CDEDLO CC(C)[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CCO1 ZINC000330735541 264037368 /nfs/dbraw/zinc/03/73/68/264037368.db2.gz LPXOBJMEOFOBPA-DZKIICNBSA-N 1 2 295.427 1.786 20 30 CDEDLO CC(C)[C@@H]1C[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CCO1 ZINC000330735541 264037369 /nfs/dbraw/zinc/03/73/69/264037369.db2.gz LPXOBJMEOFOBPA-DZKIICNBSA-N 1 2 295.427 1.786 20 30 CDEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)Nc1ncccn1 ZINC000330866428 264058067 /nfs/dbraw/zinc/05/80/67/264058067.db2.gz XRHMMOJBPMKWKB-AXFHLTTASA-N 1 2 259.313 1.085 20 30 CDEDLO C[C@H](C[S@@](C)=O)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000125907328 264069235 /nfs/dbraw/zinc/06/92/35/264069235.db2.gz HUNFEJFTQHMBHF-XIKOKIGWSA-N 1 2 267.369 1.876 20 30 CDEDLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000125907328 264069236 /nfs/dbraw/zinc/06/92/36/264069236.db2.gz HUNFEJFTQHMBHF-XIKOKIGWSA-N 1 2 267.369 1.876 20 30 CDEDLO CC(C)n1cc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cn1 ZINC000330950384 264085544 /nfs/dbraw/zinc/08/55/44/264085544.db2.gz JQVYTPJVPKHJSA-GFCCVEGCSA-N 1 2 280.372 1.489 20 30 CDEDLO CC(C)n1cc(C(=O)NCC[N@H+]2CCOC[C@H]2C)cn1 ZINC000330950384 264085545 /nfs/dbraw/zinc/08/55/45/264085545.db2.gz JQVYTPJVPKHJSA-GFCCVEGCSA-N 1 2 280.372 1.489 20 30 CDEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc(CCOC)no1 ZINC000331124993 264132406 /nfs/dbraw/zinc/13/24/06/264132406.db2.gz HJISCRYQPXYLIC-NSHDSACASA-N 1 2 251.330 1.799 20 30 CDEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc(CCOC)no1 ZINC000331124993 264132408 /nfs/dbraw/zinc/13/24/08/264132408.db2.gz HJISCRYQPXYLIC-NSHDSACASA-N 1 2 251.330 1.799 20 30 CDEDLO Cc1cccnc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000331152599 264140328 /nfs/dbraw/zinc/14/03/28/264140328.db2.gz OIZVCFUCTRXWAF-LBPRGKRZSA-N 1 2 263.341 1.415 20 30 CDEDLO Cc1cccnc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000331152599 264140329 /nfs/dbraw/zinc/14/03/29/264140329.db2.gz OIZVCFUCTRXWAF-LBPRGKRZSA-N 1 2 263.341 1.415 20 30 CDEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCCC#N)CC1 ZINC000331165410 264144442 /nfs/dbraw/zinc/14/44/42/264144442.db2.gz SPQBXBAWBMQXBY-CYBMUJFWSA-N 1 2 287.367 1.588 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000331236682 264175411 /nfs/dbraw/zinc/17/54/11/264175411.db2.gz ULPLYZFTLMTLJP-JTQLQIEISA-N 1 2 277.324 1.485 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000331236682 264175412 /nfs/dbraw/zinc/17/54/12/264175412.db2.gz ULPLYZFTLMTLJP-JTQLQIEISA-N 1 2 277.324 1.485 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000189142009 264272098 /nfs/dbraw/zinc/27/20/98/264272098.db2.gz YOXSMHZMFGFTBY-SNVBAGLBSA-N 1 2 288.351 1.645 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CC(C)(C)C#N ZINC000357482689 266305733 /nfs/dbraw/zinc/30/57/33/266305733.db2.gz JKDYEVHFLOZTPF-GFCCVEGCSA-N 1 2 267.373 1.105 20 30 CDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000368513460 267178878 /nfs/dbraw/zinc/17/88/78/267178878.db2.gz FDPKHOZIIFOSKM-ZDUSSCGKSA-N 1 2 298.390 1.606 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000373819721 267714045 /nfs/dbraw/zinc/71/40/45/267714045.db2.gz NLPGLQZXELWLFD-CYBMUJFWSA-N 1 2 297.424 1.581 20 30 CDEDLO Cc1[nH+]c2ccccn2c1CN1CCOC[C@H]1C#N ZINC000353702144 279131428 /nfs/dbraw/zinc/13/14/28/279131428.db2.gz IIHMTQMKPCULAY-GFCCVEGCSA-N 1 2 256.309 1.367 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)c1 ZINC000246569171 280291468 /nfs/dbraw/zinc/29/14/68/280291468.db2.gz LBZKVTKWXSTWLG-HUUCEWRRSA-N 1 2 269.348 1.801 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)c1 ZINC000246569171 280291472 /nfs/dbraw/zinc/29/14/72/280291472.db2.gz LBZKVTKWXSTWLG-HUUCEWRRSA-N 1 2 269.348 1.801 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)C#Cc1ccccc1)[NH+]1CCOCC1 ZINC000176234146 290201265 /nfs/dbraw/zinc/20/12/65/290201265.db2.gz DSPSAEYSSQKPHO-LSDHHAIUSA-N 1 2 286.375 1.264 20 30 CDEDLO Cc1onc(CC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)c1C#N ZINC000561115355 293051272 /nfs/dbraw/zinc/05/12/72/293051272.db2.gz AZZCUPLJRKQPHI-CQSZACIVSA-N 1 2 299.334 1.398 20 30 CDEDLO COCC1(C)C[NH+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000563149900 293291273 /nfs/dbraw/zinc/29/12/73/293291273.db2.gz MHOHXAOWKJRBSE-UHFFFAOYSA-N 1 2 271.324 1.069 20 30 CDEDLO C[C@@H]1CC[N@H+](C[C@H]2CNc3c(C#N)cnn3C2)CC1(F)F ZINC000563150620 293291348 /nfs/dbraw/zinc/29/13/48/293291348.db2.gz NUKPQTBSEOUSQM-GHMZBOCLSA-N 1 2 295.337 1.774 20 30 CDEDLO C[C@@H]1CC[N@@H+](C[C@H]2CNc3c(C#N)cnn3C2)CC1(F)F ZINC000563150620 293291349 /nfs/dbraw/zinc/29/13/49/293291349.db2.gz NUKPQTBSEOUSQM-GHMZBOCLSA-N 1 2 295.337 1.774 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000563154223 293292153 /nfs/dbraw/zinc/29/21/53/293292153.db2.gz IHXUCTKHXUKPKT-CYBMUJFWSA-N 1 2 271.324 1.212 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000563154223 293292154 /nfs/dbraw/zinc/29/21/54/293292154.db2.gz IHXUCTKHXUKPKT-CYBMUJFWSA-N 1 2 271.324 1.212 20 30 CDEDLO Cn1cc(N2CC[NH+](Cc3ccc(C#N)cn3)CC2)cn1 ZINC000570903085 294328612 /nfs/dbraw/zinc/32/86/12/294328612.db2.gz LMVZXFHQWLBLPA-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO N#CCCCCS(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000332360123 303150173 /nfs/dbraw/zinc/15/01/73/303150173.db2.gz BCXJLTSDXRYGFD-NSHDSACASA-N 1 2 282.369 1.570 20 30 CDEDLO CCc1noc(C)c1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000580837244 327746576 /nfs/dbraw/zinc/74/65/76/327746576.db2.gz QULYRQSSEAQOKN-ZDUSSCGKSA-N 1 2 264.329 1.119 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@]12CCNC2=O ZINC000563362161 316269545 /nfs/dbraw/zinc/26/95/45/316269545.db2.gz ADDRAJSJFLRFJW-OAHLLOKOSA-N 1 2 273.311 1.552 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@]12CCNC2=O ZINC000563362161 316269547 /nfs/dbraw/zinc/26/95/47/316269547.db2.gz ADDRAJSJFLRFJW-OAHLLOKOSA-N 1 2 273.311 1.552 20 30 CDEDLO Cc1cc(N2CCC[C@H](N3CCCC3=O)C2)c(C#N)c[nH+]1 ZINC000576509883 317151328 /nfs/dbraw/zinc/15/13/28/317151328.db2.gz JXZZTAWUTUQSET-AWEZNQCLSA-N 1 2 284.363 1.853 20 30 CDEDLO Cc1nc([C@H]2CC[N@H+](Cc3ccccc3C#N)C2)n[nH]1 ZINC000576954783 317238775 /nfs/dbraw/zinc/23/87/75/317238775.db2.gz UXZDWEWINDRZPY-AWEZNQCLSA-N 1 2 267.336 1.974 20 30 CDEDLO Cc1nc([C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)n[nH]1 ZINC000576954783 317238779 /nfs/dbraw/zinc/23/87/79/317238779.db2.gz UXZDWEWINDRZPY-AWEZNQCLSA-N 1 2 267.336 1.974 20 30 CDEDLO CC(C)(CC#N)CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000413401284 328144317 /nfs/dbraw/zinc/14/43/17/328144317.db2.gz DQGMCFCGNFMICP-UHFFFAOYSA-N 1 2 275.356 1.665 20 30 CDEDLO CC(C)(CC#N)CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000413401284 328144318 /nfs/dbraw/zinc/14/43/18/328144318.db2.gz DQGMCFCGNFMICP-UHFFFAOYSA-N 1 2 275.356 1.665 20 30 CDEDLO C[C@H](O)CNc1cc(NCC(C)(C)CC#N)[nH+]cn1 ZINC000413402037 328144513 /nfs/dbraw/zinc/14/45/13/328144513.db2.gz FRDJAICYDMONNJ-JTQLQIEISA-N 1 2 263.345 1.043 20 30 CDEDLO C[C@H](O)CNc1cc(NCC(C)(C)CC#N)nc[nH+]1 ZINC000413402037 328144515 /nfs/dbraw/zinc/14/45/15/328144515.db2.gz FRDJAICYDMONNJ-JTQLQIEISA-N 1 2 263.345 1.043 20 30 CDEDLO NC(=[NH+]OCC(=O)Nc1cc(F)ccc1F)[C@H]1CCCO1 ZINC000284598510 328246281 /nfs/dbraw/zinc/24/62/81/328246281.db2.gz YHXKUSYRLDIDNQ-LLVKDONJSA-N 1 2 299.277 1.371 20 30 CDEDLO Cc1nc(Nc2ccc(N(C)C)[nH+]c2)ccc1C#N ZINC000387278667 323764980 /nfs/dbraw/zinc/76/49/80/323764980.db2.gz VAUJJQXHEDQCQL-UHFFFAOYSA-N 1 2 253.309 1.888 20 30 CDEDLO C[C@H](NC(=O)C1=CCOCC1)[C@H](C)[NH+]1CCOCC1 ZINC000331048971 328475727 /nfs/dbraw/zinc/47/57/27/328475727.db2.gz HJJCBWWLHKLNBY-RYUDHWBXSA-N 1 2 268.357 1.399 20 30 CDEDLO Cc1cc(N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000582356339 324958961 /nfs/dbraw/zinc/95/89/61/324958961.db2.gz OGEJYRKPLVGMBH-CHWSQXEVSA-N 1 2 293.392 1.451 20 30 CDEDLO C=CCn1nnnc1SCCc1cccc(C)[nH+]1 ZINC000566209048 327195888 /nfs/dbraw/zinc/19/58/88/327195888.db2.gz GHTNCBDVPUHNQH-UHFFFAOYSA-N 1 2 261.354 1.897 20 30 CDEDLO NC(CN1CCOCC1)=[NH+]OCc1cccc(F)c1F ZINC000111181966 327277447 /nfs/dbraw/zinc/27/74/47/327277447.db2.gz KWMSCBFYQAQRTD-UHFFFAOYSA-N 1 2 285.294 1.086 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000582405828 328981122 /nfs/dbraw/zinc/98/11/22/328981122.db2.gz RVYNROUCDWJLQO-MJBXVCDLSA-N 1 2 290.367 1.401 20 30 CDEDLO C=CC[N@@H+](CC(=O)NCC(=O)OC)Cc1cccs1 ZINC000171129100 329074782 /nfs/dbraw/zinc/07/47/82/329074782.db2.gz CKANZXVCAOIIGY-UHFFFAOYSA-N 1 2 282.365 1.025 20 30 CDEDLO C=CC[N@H+](CC(=O)NCC(=O)OC)Cc1cccs1 ZINC000171129100 329074784 /nfs/dbraw/zinc/07/47/84/329074784.db2.gz CKANZXVCAOIIGY-UHFFFAOYSA-N 1 2 282.365 1.025 20 30 CDEDLO C=C(CC)CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000459084283 329142849 /nfs/dbraw/zinc/14/28/49/329142849.db2.gz HLVUNAKLCRESQP-CYBMUJFWSA-N 1 2 269.389 1.315 20 30 CDEDLO CC(=O)Nc1cccc(NC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000514668964 329172469 /nfs/dbraw/zinc/17/24/69/329172469.db2.gz RHZYXDIIPJLYAS-HNNXBMFYSA-N 1 2 290.367 1.263 20 30 CDEDLO CC(=O)Nc1cccc(NC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000514668964 329172470 /nfs/dbraw/zinc/17/24/70/329172470.db2.gz RHZYXDIIPJLYAS-HNNXBMFYSA-N 1 2 290.367 1.263 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000176252416 329172936 /nfs/dbraw/zinc/17/29/36/329172936.db2.gz XBNVSMGCPJFGAB-UHFFFAOYSA-N 1 2 262.357 1.374 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000176252416 329172937 /nfs/dbraw/zinc/17/29/37/329172937.db2.gz XBNVSMGCPJFGAB-UHFFFAOYSA-N 1 2 262.357 1.374 20 30 CDEDLO C=CCCCC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000177475029 329183875 /nfs/dbraw/zinc/18/38/75/329183875.db2.gz DREXUMJPTBLBPZ-UHFFFAOYSA-N 1 2 293.411 1.109 20 30 CDEDLO CC#CCCNC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000582973623 329296831 /nfs/dbraw/zinc/29/68/31/329296831.db2.gz FHDRSSLFUQROGJ-JTQLQIEISA-N 1 2 287.285 1.986 20 30 CDEDLO CC[C@@H](C#N)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000188833392 329373572 /nfs/dbraw/zinc/37/35/72/329373572.db2.gz FEYXJXCLEKHFID-AAEUAGOBSA-N 1 2 265.357 1.048 20 30 CDEDLO CC[C@@H](C#N)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000188833392 329373573 /nfs/dbraw/zinc/37/35/73/329373573.db2.gz FEYXJXCLEKHFID-AAEUAGOBSA-N 1 2 265.357 1.048 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000278799931 330118176 /nfs/dbraw/zinc/11/81/76/330118176.db2.gz ZDFUWDMZLRFFMZ-MRXNPFEDSA-N 1 2 287.363 1.788 20 30 CDEDLO C=CCn1cc(C[NH2+][C@H](C)c2cc(OC)ncc2F)nn1 ZINC000424293140 330335221 /nfs/dbraw/zinc/33/52/21/330335221.db2.gz IBVCXUIUXZBTRO-SNVBAGLBSA-N 1 2 291.330 1.858 20 30 CDEDLO C=CCn1cc(C[NH2+][C@@H](C)c2nccnc2C)nn1 ZINC000424295762 330335948 /nfs/dbraw/zinc/33/59/48/330335948.db2.gz NGEHYPQCBMWVIN-NSHDSACASA-N 1 2 258.329 1.413 20 30 CDEDLO C#CC[N@@H+](CCC(C)(C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000119633851 330378128 /nfs/dbraw/zinc/37/81/28/330378128.db2.gz DVLRELAGAKBUFA-LBPRGKRZSA-N 1 2 268.382 1.049 20 30 CDEDLO C#CC[N@H+](CCC(C)(C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000119633851 330378129 /nfs/dbraw/zinc/37/81/29/330378129.db2.gz DVLRELAGAKBUFA-LBPRGKRZSA-N 1 2 268.382 1.049 20 30 CDEDLO C=CCC1(C(=O)N2CC[NH+](CCOC)CC2)CCCC1 ZINC000449881082 330953246 /nfs/dbraw/zinc/95/32/46/330953246.db2.gz QYDGDHSUWSEPOC-UHFFFAOYSA-N 1 2 280.412 1.914 20 30 CDEDLO CC[C@@H]1CN(C(=O)[C@]2(C#N)C[C@@H]2C)C[C@@H]1[NH+]1CCOCC1 ZINC000449983808 330957434 /nfs/dbraw/zinc/95/74/34/330957434.db2.gz DIZTVPYNNNSBJV-FQLMCAECSA-N 1 2 291.395 1.105 20 30 CDEDLO CC#CC[N@@H+](C)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000451076276 331015107 /nfs/dbraw/zinc/01/51/07/331015107.db2.gz GMUQXPQBXOJUSG-UHFFFAOYSA-N 1 2 265.378 1.935 20 30 CDEDLO CC#CC[N@H+](C)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000451076276 331015108 /nfs/dbraw/zinc/01/51/08/331015108.db2.gz GMUQXPQBXOJUSG-UHFFFAOYSA-N 1 2 265.378 1.935 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C(C)C)C1COC1 ZINC000451122108 331016585 /nfs/dbraw/zinc/01/65/85/331016585.db2.gz WJEJFCUWXYSJJP-GFCCVEGCSA-N 1 2 267.373 1.104 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C(C)C)C1COC1 ZINC000451122108 331016586 /nfs/dbraw/zinc/01/65/86/331016586.db2.gz WJEJFCUWXYSJJP-GFCCVEGCSA-N 1 2 267.373 1.104 20 30 CDEDLO C=CC(C)(C)CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000452775676 331076440 /nfs/dbraw/zinc/07/64/40/331076440.db2.gz OXTVFIXNBAPMGG-AWEZNQCLSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC(C)(C)CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000452775676 331076441 /nfs/dbraw/zinc/07/64/41/331076441.db2.gz OXTVFIXNBAPMGG-AWEZNQCLSA-N 1 2 280.412 1.816 20 30 CDEDLO C=C(C)CCNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000455333050 331166528 /nfs/dbraw/zinc/16/65/28/331166528.db2.gz YWJJLSWGORUFAZ-UHFFFAOYSA-N 1 2 250.346 1.881 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cncs1 ZINC000491243163 332173373 /nfs/dbraw/zinc/17/33/73/332173373.db2.gz VJNJAIXBDXXARP-JTQLQIEISA-N 1 2 250.323 1.398 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cncs1 ZINC000491243163 332173374 /nfs/dbraw/zinc/17/33/74/332173374.db2.gz VJNJAIXBDXXARP-JTQLQIEISA-N 1 2 250.323 1.398 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000491629809 332252534 /nfs/dbraw/zinc/25/25/34/332252534.db2.gz MEIGQSYMFUYKBS-LBPRGKRZSA-N 1 2 288.347 1.755 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000491629809 332252535 /nfs/dbraw/zinc/25/25/35/332252535.db2.gz MEIGQSYMFUYKBS-LBPRGKRZSA-N 1 2 288.347 1.755 20 30 CDEDLO C#C[C@@H]1COCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000491652276 332265285 /nfs/dbraw/zinc/26/52/85/332265285.db2.gz LRVLDENCNOWLHY-CQSZACIVSA-N 1 2 281.315 1.347 20 30 CDEDLO C#CCN(CC#CC)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000491678728 332283163 /nfs/dbraw/zinc/28/31/63/332283163.db2.gz CDUQQDHJYFXXRE-ZDUSSCGKSA-N 1 2 272.352 1.632 20 30 CDEDLO C#C[C@@H](NC(=O)NCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000491698041 332293087 /nfs/dbraw/zinc/29/30/87/332293087.db2.gz ACHBOZHQSBVIAK-CQSZACIVSA-N 1 2 286.310 1.696 20 30 CDEDLO C#C[C@@H](NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C(C)(C)C ZINC000491713363 332304308 /nfs/dbraw/zinc/30/43/08/332304308.db2.gz JPALXPCRWUPXDK-ZWNOBZJWSA-N 1 2 274.368 1.614 20 30 CDEDLO C#C[C@@H](NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C(C)(C)C ZINC000491713363 332304309 /nfs/dbraw/zinc/30/43/09/332304309.db2.gz JPALXPCRWUPXDK-ZWNOBZJWSA-N 1 2 274.368 1.614 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(OCOCC)cc1 ZINC000491767860 332335465 /nfs/dbraw/zinc/33/54/65/332335465.db2.gz HMQCOJNUUGQWKI-OAHLLOKOSA-N 1 2 275.348 1.893 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(OCOCC)cc1 ZINC000491767860 332335466 /nfs/dbraw/zinc/33/54/66/332335466.db2.gz HMQCOJNUUGQWKI-OAHLLOKOSA-N 1 2 275.348 1.893 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000491773523 332339471 /nfs/dbraw/zinc/33/94/71/332339471.db2.gz VWRYEJDDAUFUOQ-HOTGVXAUSA-N 1 2 282.387 1.863 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1ccc(OCC#N)cc1 ZINC000492086060 332382134 /nfs/dbraw/zinc/38/21/34/332382134.db2.gz FKFWYVKKNBZJGY-QPJJXVBHSA-N 1 2 296.330 1.950 20 30 CDEDLO C=CCSCCNC(=O)/C=C\c1[nH+]ccn1CC ZINC000492446118 332397692 /nfs/dbraw/zinc/39/76/92/332397692.db2.gz TVFNYJZPEWNTEM-WAYWQWQTSA-N 1 2 265.382 1.952 20 30 CDEDLO Cc1ccccc1/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000493083835 332425770 /nfs/dbraw/zinc/42/57/70/332425770.db2.gz AKENAMVYQWCEED-ZBTGYSDGSA-N 1 2 271.364 1.968 20 30 CDEDLO C#CCCN(CC(F)(F)F)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493642225 332448365 /nfs/dbraw/zinc/44/83/65/332448365.db2.gz KVFPSIGAKCGCCL-SNAWJCMRSA-N 1 2 271.242 1.837 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000192220278 333232618 /nfs/dbraw/zinc/23/26/18/333232618.db2.gz DEIHYDUTVYEBIB-UHFFFAOYSA-N 1 2 261.712 1.715 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000192220278 333232619 /nfs/dbraw/zinc/23/26/19/333232619.db2.gz DEIHYDUTVYEBIB-UHFFFAOYSA-N 1 2 261.712 1.715 20 30 CDEDLO CC[C@]1(C)C[C@@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000134223335 334084770 /nfs/dbraw/zinc/08/47/70/334084770.db2.gz VTUIBIRMJIRWCF-GDBMZVCRSA-N 1 2 293.411 1.497 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cn2)C1=O ZINC000548843210 334175969 /nfs/dbraw/zinc/17/59/69/334175969.db2.gz IABNDPDXUKETEE-CYBMUJFWSA-N 1 2 279.771 1.954 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cn2)C1=O ZINC000548843210 334175971 /nfs/dbraw/zinc/17/59/71/334175971.db2.gz IABNDPDXUKETEE-CYBMUJFWSA-N 1 2 279.771 1.954 20 30 CDEDLO C[C@@H](Oc1cccc(F)c1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000555480848 334479699 /nfs/dbraw/zinc/47/96/99/334479699.db2.gz 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/nfs/dbraw/zinc/54/23/49/482542349.db2.gz PWKXXDDNXZJRDE-UHFFFAOYSA-N 1 2 275.348 1.712 20 30 CDEDLO COCC#CC[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000677817512 482793539 /nfs/dbraw/zinc/79/35/39/482793539.db2.gz NBVBAIFNSBXLIE-UHFFFAOYSA-N 1 2 281.377 1.172 20 30 CDEDLO COCC#CC[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000677817512 482793546 /nfs/dbraw/zinc/79/35/46/482793546.db2.gz NBVBAIFNSBXLIE-UHFFFAOYSA-N 1 2 281.377 1.172 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000675499859 483321056 /nfs/dbraw/zinc/32/10/56/483321056.db2.gz ZUMKVJDHDBQVQN-DCAQKATOSA-N 1 2 267.291 1.965 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000675499859 483321050 /nfs/dbraw/zinc/32/10/50/483321050.db2.gz ZUMKVJDHDBQVQN-DCAQKATOSA-N 1 2 267.291 1.965 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cn2cc(C3CC3)cn2)C1 ZINC001030570900 1161028765 /nfs/dbraw/zinc/02/87/65/1161028765.db2.gz RMQWOOZLZLRXEC-UHFFFAOYSA-N 1 2 274.368 1.137 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ncccn1 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Cc1oc(NC(=O)C[N@H+]2CC[C@H](O)[C@H](C)C2)c(C#N)c1C ZINC000167237679 534546856 /nfs/dbraw/zinc/54/68/56/534546856.db2.gz YGZLIVNKWBDCPN-RNCFNFMXSA-N 1 2 291.351 1.409 20 30 CDEDLO Cc1nc(N(C)[C@@H](C)CNC(=O)C#CC2CC2)cc[nH+]1 ZINC001113585642 1162229605 /nfs/dbraw/zinc/22/96/05/1162229605.db2.gz IQPKMUSUCLZSAB-NSHDSACASA-N 1 2 272.352 1.139 20 30 CDEDLO Cc1cnccc1CNC(=O)N1CCn2cc[nH+]c2C1 ZINC000330277416 534691535 /nfs/dbraw/zinc/69/15/35/534691535.db2.gz OEWQUXQVBNYHCH-UHFFFAOYSA-N 1 2 271.324 1.516 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC001170164224 1162269318 /nfs/dbraw/zinc/26/93/18/1162269318.db2.gz FDPDUWAEMPHVRE-DCAQKATOSA-N 1 2 261.387 1.395 20 30 CDEDLO O=C(NCC1([NH+]2CCOCC2)CC1)N[C@@H]1CCCSC1 ZINC000330231270 534751245 /nfs/dbraw/zinc/75/12/45/534751245.db2.gz WVDGBVJGBNCDSK-GFCCVEGCSA-N 1 2 299.440 1.250 20 30 CDEDLO N#Cc1cc(C#N)c(SCc2cc[nH+]c(N)c2)nc1N ZINC000195500337 534770833 /nfs/dbraw/zinc/77/08/33/534770833.db2.gz QZDYAEVMHGPAAJ-UHFFFAOYSA-N 1 2 282.332 1.677 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338627224 526153676 /nfs/dbraw/zinc/15/36/76/526153676.db2.gz QHLUNKIWXKNWBX-IAQYHMDHSA-N 1 2 291.326 1.292 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@](F)(CO)C1 ZINC000338627224 526153685 /nfs/dbraw/zinc/15/36/85/526153685.db2.gz QHLUNKIWXKNWBX-IAQYHMDHSA-N 1 2 291.326 1.292 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)ccc1F ZINC000364780921 526549710 /nfs/dbraw/zinc/54/97/10/526549710.db2.gz RZGUYNWUSGZRDQ-HNNXBMFYSA-N 1 2 289.310 1.772 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)ccc1F ZINC000364780921 526549714 /nfs/dbraw/zinc/54/97/14/526549714.db2.gz RZGUYNWUSGZRDQ-HNNXBMFYSA-N 1 2 289.310 1.772 20 30 CDEDLO C=C(C)[C@H](CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)OCC ZINC000345440450 526805413 /nfs/dbraw/zinc/80/54/13/526805413.db2.gz ZGYJZBGCYARQCY-GJZGRUSLSA-N 1 2 298.427 1.537 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000345372853 527369995 /nfs/dbraw/zinc/36/99/95/527369995.db2.gz BSIMBUIUEBCCFL-KGLIPLIRSA-N 1 2 284.400 1.147 20 30 CDEDLO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1noc(COC(C)C)n1 ZINC000352681709 527456924 /nfs/dbraw/zinc/45/69/24/527456924.db2.gz YYEGFBNPYGRPRJ-NWDGAFQWSA-N 1 2 283.372 1.972 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000352493702 527531297 /nfs/dbraw/zinc/53/12/97/527531297.db2.gz ULUSITWFMRKPDX-INIZCTEOSA-N 1 2 298.427 1.442 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000352493702 527531302 /nfs/dbraw/zinc/53/13/02/527531302.db2.gz ULUSITWFMRKPDX-INIZCTEOSA-N 1 2 298.427 1.442 20 30 CDEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NC1(C#N)CCC1 ZINC000347056526 527681453 /nfs/dbraw/zinc/68/14/53/527681453.db2.gz OCXUEIDVDBVCEV-UHFFFAOYSA-N 1 2 276.384 1.811 20 30 CDEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NC1(C#N)CCC1 ZINC000347056526 527681456 /nfs/dbraw/zinc/68/14/56/527681456.db2.gz OCXUEIDVDBVCEV-UHFFFAOYSA-N 1 2 276.384 1.811 20 30 CDEDLO CC1(C)C[C@@H]1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000330223538 527711264 /nfs/dbraw/zinc/71/12/64/527711264.db2.gz AHBPFVJUVAQDTG-NSHDSACASA-N 1 2 267.373 1.153 20 30 CDEDLO CC[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000332501245 529280916 /nfs/dbraw/zinc/28/09/16/529280916.db2.gz WRKSVZLSSYSSQJ-OLZOCXBDSA-N 1 2 279.384 1.438 20 30 CDEDLO CC[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000332501245 529280917 /nfs/dbraw/zinc/28/09/17/529280917.db2.gz WRKSVZLSSYSSQJ-OLZOCXBDSA-N 1 2 279.384 1.438 20 30 CDEDLO C=CCCCNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000675124299 538471074 /nfs/dbraw/zinc/47/10/74/538471074.db2.gz CALOFTNVNXWKPE-CYBMUJFWSA-N 1 2 290.367 1.129 20 30 CDEDLO C=CCN(CC=C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726261774 574496762 /nfs/dbraw/zinc/49/67/62/574496762.db2.gz UVPVSHMJUAQMJL-CYBMUJFWSA-N 1 2 267.373 1.091 20 30 CDEDLO C=CCN(CC=C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726261774 574496763 /nfs/dbraw/zinc/49/67/63/574496763.db2.gz UVPVSHMJUAQMJL-CYBMUJFWSA-N 1 2 267.373 1.091 20 30 CDEDLO C#Cc1ccc(C(=O)NCc2cn3ccccc3[nH+]2)cn1 ZINC000728857673 574657410 /nfs/dbraw/zinc/65/74/10/574657410.db2.gz UVVUVEWFGFTOTB-UHFFFAOYSA-N 1 2 276.299 1.641 20 30 CDEDLO CCOc1ccc(O)c(/C=N/CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC000729149689 574723426 /nfs/dbraw/zinc/72/34/26/574723426.db2.gz NUBJFMCCDVFGIE-HNEYUBDGSA-N 1 2 292.379 1.931 20 30 CDEDLO CCOc1ccc(O)c(/C=N/CC[N@H+]2CCOC[C@@H]2C)c1 ZINC000729149689 574723428 /nfs/dbraw/zinc/72/34/28/574723428.db2.gz NUBJFMCCDVFGIE-HNEYUBDGSA-N 1 2 292.379 1.931 20 30 CDEDLO N#CCn1cc(NC(=O)CCCn2cc[nH+]c2)cn1 ZINC000729352764 574752728 /nfs/dbraw/zinc/75/27/28/574752728.db2.gz VEDCHHOCHWXDHB-UHFFFAOYSA-N 1 2 258.285 1.022 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ncc(CC)s1 ZINC000742805251 576618148 /nfs/dbraw/zinc/61/81/48/576618148.db2.gz WGOIEFAYABETED-LBPRGKRZSA-N 1 2 277.393 1.419 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ncc(CC)s1 ZINC000742805251 576618150 /nfs/dbraw/zinc/61/81/50/576618150.db2.gz WGOIEFAYABETED-LBPRGKRZSA-N 1 2 277.393 1.419 20 30 CDEDLO C=CCn1nnn(C[NH+]2CCC(C)(OC)CC2)c1=S ZINC000774640594 575221943 /nfs/dbraw/zinc/22/19/43/575221943.db2.gz VUEOTRKVOKGSBD-UHFFFAOYSA-N 1 2 283.401 1.453 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000769644571 575367113 /nfs/dbraw/zinc/36/71/13/575367113.db2.gz CFUCMHPUPHOLCD-CQSZACIVSA-N 1 2 286.375 1.613 20 30 CDEDLO C=CCNC(=S)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000769786634 575383951 /nfs/dbraw/zinc/38/39/51/575383951.db2.gz CNSRBAUPVXRGER-UHFFFAOYSA-N 1 2 292.408 1.699 20 30 CDEDLO N#CCN1CCC(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC000770432901 575449047 /nfs/dbraw/zinc/44/90/47/575449047.db2.gz REXIVMKOBHKACQ-UHFFFAOYSA-N 1 2 297.362 1.300 20 30 CDEDLO C#Cc1ccc(C(=O)NCCCNc2cccc[nH+]2)cn1 ZINC000736196846 575587073 /nfs/dbraw/zinc/58/70/73/575587073.db2.gz ZQMKDLTZSICHKV-UHFFFAOYSA-N 1 2 280.331 1.690 20 30 CDEDLO C#C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000773592137 575802790 /nfs/dbraw/zinc/80/27/90/575802790.db2.gz DMYFMYPZGVMHEC-GFCCVEGCSA-N 1 2 261.325 1.129 20 30 CDEDLO C#C[C@H](C)NC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000773613425 575830336 /nfs/dbraw/zinc/83/03/36/575830336.db2.gz MGEYMKPTQXCJQK-LBPRGKRZSA-N 1 2 270.336 1.506 20 30 CDEDLO CN(C)[C@@H](C(=O)Nc1cc(C#N)ccc1O)c1c[nH+]cn1C ZINC000774080521 575851021 /nfs/dbraw/zinc/85/10/21/575851021.db2.gz HZPQUNBJOFWBHM-CQSZACIVSA-N 1 2 299.334 1.239 20 30 CDEDLO CC#CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000764445274 575908049 /nfs/dbraw/zinc/90/80/49/575908049.db2.gz UBLUFUMPJZOTSK-UHFFFAOYSA-N 1 2 257.268 1.651 20 30 CDEDLO COC[C@H]1CCC[N@@H+]1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766637819 576118186 /nfs/dbraw/zinc/11/81/86/576118186.db2.gz RDMOHSCQVUUTAO-CYBMUJFWSA-N 1 2 287.363 1.277 20 30 CDEDLO COC[C@H]1CCC[N@H+]1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766637819 576118188 /nfs/dbraw/zinc/11/81/88/576118188.db2.gz RDMOHSCQVUUTAO-CYBMUJFWSA-N 1 2 287.363 1.277 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCCc2cnn(C)c2)ccc1F ZINC000740873034 576520786 /nfs/dbraw/zinc/52/07/86/576520786.db2.gz XTGJJJGIALKTBQ-UHFFFAOYSA-N 1 2 276.315 1.747 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1nc([C@H](C)SCC)no1 ZINC000761107035 576549521 /nfs/dbraw/zinc/54/95/21/576549521.db2.gz CCNXPQSGOSRDQD-NSHDSACASA-N 1 2 283.397 1.965 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1nc([C@H](C)SCC)no1 ZINC000761107035 576549522 /nfs/dbraw/zinc/54/95/22/576549522.db2.gz CCNXPQSGOSRDQD-NSHDSACASA-N 1 2 283.397 1.965 20 30 CDEDLO C[C@@H]1CC(=NNS(=O)(=O)c2ccccc2)C[N@@H+]1C ZINC000761795113 576593607 /nfs/dbraw/zinc/59/36/07/576593607.db2.gz WLFCQUTUUDNBIY-SNVBAGLBSA-N 1 2 267.354 1.045 20 30 CDEDLO C[C@@H]1CC(=NNS(=O)(=O)c2ccccc2)C[N@H+]1C ZINC000761795113 576593609 /nfs/dbraw/zinc/59/36/09/576593609.db2.gz WLFCQUTUUDNBIY-SNVBAGLBSA-N 1 2 267.354 1.045 20 30 CDEDLO N#Cc1ccc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)o1 ZINC000761837902 576596827 /nfs/dbraw/zinc/59/68/27/576596827.db2.gz TYRXKEDCMLBRCV-UHFFFAOYSA-N 1 2 279.263 1.573 20 30 CDEDLO N#Cc1ccc(C=NNc2ccc(-n3cc[nH+]c3)nn2)o1 ZINC000761837902 576596829 /nfs/dbraw/zinc/59/68/29/576596829.db2.gz TYRXKEDCMLBRCV-UHFFFAOYSA-N 1 2 279.263 1.573 20 30 CDEDLO C#CCOc1ccccc1C[NH2+]Cc1nnnn1C1CC1 ZINC000742387559 576599535 /nfs/dbraw/zinc/59/95/35/576599535.db2.gz FBCXWCSUJNJVPJ-UHFFFAOYSA-N 1 2 283.335 1.310 20 30 CDEDLO C=CCCOCC(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000744608189 576688336 /nfs/dbraw/zinc/68/83/36/576688336.db2.gz DMXSBFRAMJUFMU-GFCCVEGCSA-N 1 2 297.424 1.215 20 30 CDEDLO C=CCCOCC(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000744608190 576688404 /nfs/dbraw/zinc/68/84/04/576688404.db2.gz DMXSBFRAMJUFMU-LBPRGKRZSA-N 1 2 297.424 1.215 20 30 CDEDLO COCC#CC[N@@H+]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000762926032 576694070 /nfs/dbraw/zinc/69/40/70/576694070.db2.gz NXDKUTRJWCIBIQ-UHFFFAOYSA-N 1 2 296.411 1.968 20 30 CDEDLO COCC#CC[N@H+]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000762926032 576694071 /nfs/dbraw/zinc/69/40/71/576694071.db2.gz NXDKUTRJWCIBIQ-UHFFFAOYSA-N 1 2 296.411 1.968 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CC[C@@H](C3CC3)C2)c1=S ZINC000763333518 576731338 /nfs/dbraw/zinc/73/13/38/576731338.db2.gz UIOOGTJSGAAPRH-LLVKDONJSA-N 1 2 265.386 1.684 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CC[C@@H](C3CC3)C2)c1=S ZINC000763333518 576731339 /nfs/dbraw/zinc/73/13/39/576731339.db2.gz UIOOGTJSGAAPRH-LLVKDONJSA-N 1 2 265.386 1.684 20 30 CDEDLO C#CC[N@@H+](CC)Cc1nc2ccccc2c(=O)n1CC#N ZINC000746457800 576777513 /nfs/dbraw/zinc/77/75/13/576777513.db2.gz QTDDULOFBKHDCI-UHFFFAOYSA-N 1 2 280.331 1.375 20 30 CDEDLO C#CC[N@H+](CC)Cc1nc2ccccc2c(=O)n1CC#N ZINC000746457800 576777514 /nfs/dbraw/zinc/77/75/14/576777514.db2.gz QTDDULOFBKHDCI-UHFFFAOYSA-N 1 2 280.331 1.375 20 30 CDEDLO COCC(N=NC1=[NH+][C@H]2CCCC[C@@H]2N1)C1CC1 ZINC000753936035 576867363 /nfs/dbraw/zinc/86/73/63/576867363.db2.gz QJOVJQPEVHYJFI-QWRGUYRKSA-N 1 2 250.346 1.259 20 30 CDEDLO C=CCNC(=S)NN=Cc1c[nH+]c2ccc(C)cn12 ZINC000755496889 576946887 /nfs/dbraw/zinc/94/68/87/576946887.db2.gz CXSAJUFIIDOLHL-UHFFFAOYSA-N 1 2 273.365 1.627 20 30 CDEDLO N#CC1(NC(=O)c2cccc3[nH+]ccn32)CCSCC1 ZINC000756029353 576974676 /nfs/dbraw/zinc/97/46/76/576974676.db2.gz ZHKUPJXTPRRFGJ-UHFFFAOYSA-N 1 2 286.360 1.853 20 30 CDEDLO CCN1CC[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)CC1=O ZINC000758016007 577067495 /nfs/dbraw/zinc/06/74/95/577067495.db2.gz SSIGXNHOQGRAFZ-CYBMUJFWSA-N 1 2 287.363 1.642 20 30 CDEDLO CCN1CC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)CC1=O ZINC000758016007 577067497 /nfs/dbraw/zinc/06/74/97/577067497.db2.gz SSIGXNHOQGRAFZ-CYBMUJFWSA-N 1 2 287.363 1.642 20 30 CDEDLO CC[C@@H]1C[N@H+](Cn2cccc(C#N)c2=O)CCS1 ZINC000758230477 577086406 /nfs/dbraw/zinc/08/64/06/577086406.db2.gz IDRJRQIMVVCXAD-GFCCVEGCSA-N 1 2 263.366 1.505 20 30 CDEDLO CC[C@@H]1C[N@@H+](Cn2cccc(C#N)c2=O)CCS1 ZINC000758230477 577086409 /nfs/dbraw/zinc/08/64/09/577086409.db2.gz IDRJRQIMVVCXAD-GFCCVEGCSA-N 1 2 263.366 1.505 20 30 CDEDLO C#CCNC(=S)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000758244629 577089593 /nfs/dbraw/zinc/08/95/93/577089593.db2.gz SORSIAWAJKTSHU-VXGBXAGGSA-N 1 2 262.382 1.274 20 30 CDEDLO CC[C@H]1CCCC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000758359439 577102053 /nfs/dbraw/zinc/10/20/53/577102053.db2.gz ACRJQSLBTCJPJO-LBPRGKRZSA-N 1 2 298.456 1.349 20 30 CDEDLO CCN(C)C(=O)CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000758764461 577131226 /nfs/dbraw/zinc/13/12/26/577131226.db2.gz PATUSWPVQRXKSU-UHFFFAOYSA-N 1 2 267.304 1.249 20 30 CDEDLO CC1(C#N)CC[NH+](Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000824780021 609173549 /nfs/dbraw/zinc/17/35/49/609173549.db2.gz ZTLMRBKSSHROAP-UHFFFAOYSA-N 1 2 272.312 1.585 20 30 CDEDLO C=CC[C@H]1CCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000890550614 617203850 /nfs/dbraw/zinc/20/38/50/617203850.db2.gz ZEOZUNMMWYFZDB-ZDUSSCGKSA-N 1 2 259.353 1.939 20 30 CDEDLO C#C[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000890647582 617247680 /nfs/dbraw/zinc/24/76/80/617247680.db2.gz HCMQVMZVVMVOOS-OLZOCXBDSA-N 1 2 257.337 1.460 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2c[nH]nc2CC)C1 ZINC000950708069 612991703 /nfs/dbraw/zinc/99/17/03/612991703.db2.gz KKRWTEHHEOYXTF-UHFFFAOYSA-N 1 2 274.368 1.142 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnc3[nH]ccc3c2)C1 ZINC000950563601 612991750 /nfs/dbraw/zinc/99/17/50/612991750.db2.gz HXOKVYNEMMZNLH-UHFFFAOYSA-N 1 2 296.374 1.684 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(C3CC3)on2)C1 ZINC000951010180 612991833 /nfs/dbraw/zinc/99/18/33/612991833.db2.gz MZAYIOHMZMQSDB-UHFFFAOYSA-N 1 2 287.363 1.722 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(C#C)cn2)C1 ZINC000957290237 612991945 /nfs/dbraw/zinc/99/19/45/612991945.db2.gz PHYYECPRUTYQRL-UHFFFAOYSA-N 1 2 281.359 1.233 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(OC)cc2)C1 ZINC000957313805 612992053 /nfs/dbraw/zinc/99/20/53/612992053.db2.gz YEOUFHGLNBANLF-UHFFFAOYSA-N 1 2 286.375 1.865 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2ocnc2C2CC2)CC1 ZINC000981949783 613160386 /nfs/dbraw/zinc/16/03/86/613160386.db2.gz ZZMOKYOTTBNOCI-UHFFFAOYSA-N 1 2 273.336 1.333 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2ocnc2C2CC2)CC1 ZINC000981949783 613160388 /nfs/dbraw/zinc/16/03/88/613160388.db2.gz ZZMOKYOTTBNOCI-UHFFFAOYSA-N 1 2 273.336 1.333 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC000968669457 613217707 /nfs/dbraw/zinc/21/77/07/613217707.db2.gz NHMCQSPQXSNFKL-MFKMUULPSA-N 1 2 291.420 1.833 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC000968669457 613217708 /nfs/dbraw/zinc/21/77/08/613217708.db2.gz NHMCQSPQXSNFKL-MFKMUULPSA-N 1 2 291.420 1.833 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C)CC1 ZINC000960048312 613236142 /nfs/dbraw/zinc/23/61/42/613236142.db2.gz NUNAXCZFOHCSHL-URLYPYJESA-N 1 2 299.212 1.742 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C)CC1 ZINC000960048312 613236144 /nfs/dbraw/zinc/23/61/44/613236144.db2.gz NUNAXCZFOHCSHL-URLYPYJESA-N 1 2 299.212 1.742 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c(C)nn(C)c2C)C1 ZINC000951004289 613295976 /nfs/dbraw/zinc/29/59/76/613295976.db2.gz FTMUEQOBQLKDOQ-UHFFFAOYSA-N 1 2 290.411 1.759 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccn(C)c(=O)c2)C1 ZINC000950639863 613296850 /nfs/dbraw/zinc/29/68/50/613296850.db2.gz UOPXKIDTXGXRMY-UHFFFAOYSA-N 1 2 289.379 1.108 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ncccn2)C1 ZINC000956990683 613298223 /nfs/dbraw/zinc/29/82/23/613298223.db2.gz ZXRYWEFOLRYGRK-UHFFFAOYSA-N 1 2 260.341 1.199 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2csc(C)n2)CC1 ZINC000949835072 613321621 /nfs/dbraw/zinc/32/16/21/613321621.db2.gz VHZLRGHOSLBAEY-UHFFFAOYSA-N 1 2 265.382 1.785 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2coc(C3CC3)n2)CC1 ZINC000951368337 613321842 /nfs/dbraw/zinc/32/18/42/613321842.db2.gz JUFNOGYRNHYQDP-UHFFFAOYSA-N 1 2 275.352 1.886 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnc(C3CC3)o2)CC1 ZINC000948821842 613321942 /nfs/dbraw/zinc/32/19/42/613321942.db2.gz FJMVYMOTVAESPI-UHFFFAOYSA-N 1 2 275.352 1.886 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2nc(CC)oc2C)CC1 ZINC000951702971 613322362 /nfs/dbraw/zinc/32/23/62/613322362.db2.gz ICJPJHOLQLKYKY-UHFFFAOYSA-N 1 2 277.368 1.879 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2nccs2)C1 ZINC000970636198 613371989 /nfs/dbraw/zinc/37/19/89/613371989.db2.gz HXEOHHPPNHOOBO-SECBINFHSA-N 1 2 285.800 1.946 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CCO[C@@H]2C)CC1 ZINC000982795926 613373613 /nfs/dbraw/zinc/37/36/13/613373613.db2.gz PWJOTCXIVUNBMR-CHWSQXEVSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CCO[C@@H]2C)CC1 ZINC000982795926 613373614 /nfs/dbraw/zinc/37/36/14/613373614.db2.gz PWJOTCXIVUNBMR-CHWSQXEVSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2C)CC1 ZINC000982795938 613373635 /nfs/dbraw/zinc/37/36/35/613373635.db2.gz PWJOTCXIVUNBMR-QWHCGFSZSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2C)CC1 ZINC000982795938 613373636 /nfs/dbraw/zinc/37/36/36/613373636.db2.gz PWJOTCXIVUNBMR-QWHCGFSZSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2c[nH]nc2C)C1 ZINC000967600629 613377771 /nfs/dbraw/zinc/37/77/71/613377771.db2.gz XMKJREIFJYUCII-TVQRCGJNSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2c[nH]nc2C)C1 ZINC000967600629 613377772 /nfs/dbraw/zinc/37/77/72/613377772.db2.gz XMKJREIFJYUCII-TVQRCGJNSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2occc2C)C1 ZINC000957855498 613380225 /nfs/dbraw/zinc/38/02/25/613380225.db2.gz OKYYHPOTDSXADW-NWDGAFQWSA-N 1 2 298.770 1.363 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2occc2C)C1 ZINC000957855498 613380226 /nfs/dbraw/zinc/38/02/26/613380226.db2.gz OKYYHPOTDSXADW-NWDGAFQWSA-N 1 2 298.770 1.363 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cn[nH]c2)C(C)(C)C1 ZINC000972831363 613381163 /nfs/dbraw/zinc/38/11/63/613381163.db2.gz SIUSBFMPEPLBSO-NSHDSACASA-N 1 2 282.775 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cn[nH]c2)C(C)(C)C1 ZINC000972831363 613381164 /nfs/dbraw/zinc/38/11/64/613381164.db2.gz SIUSBFMPEPLBSO-NSHDSACASA-N 1 2 282.775 1.602 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCc2cncc(F)c2)CC1 ZINC000957936871 613561648 /nfs/dbraw/zinc/56/16/48/613561648.db2.gz BKSRKDCPRLUPSP-UHFFFAOYSA-N 1 2 289.354 1.321 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCc2c(C)n[nH]c2C)CC1 ZINC000957620227 613561653 /nfs/dbraw/zinc/56/16/53/613561653.db2.gz YVKBPXFYWUETIL-UHFFFAOYSA-N 1 2 288.395 1.127 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC(C)C)C2)C1 ZINC000972229629 613570413 /nfs/dbraw/zinc/57/04/13/613570413.db2.gz XIKIRSFWUQDYEV-INIZCTEOSA-N 1 2 278.396 1.359 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC(C)C)C2)C1 ZINC000972229629 613570415 /nfs/dbraw/zinc/57/04/15/613570415.db2.gz XIKIRSFWUQDYEV-INIZCTEOSA-N 1 2 278.396 1.359 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)C(F)(F)F)CC1 ZINC000957407038 613706967 /nfs/dbraw/zinc/70/69/67/613706967.db2.gz OHSJJJZZRAKZDQ-UHFFFAOYSA-N 1 2 264.291 1.905 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2CCC(F)CC2)CC1 ZINC000950055146 613707863 /nfs/dbraw/zinc/70/78/63/613707863.db2.gz FWXVQFWDCCDNSK-UHFFFAOYSA-N 1 2 254.349 1.845 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c(C)cc(=O)oc2C)CC1 ZINC000949196049 613714095 /nfs/dbraw/zinc/71/40/95/613714095.db2.gz TWGUKVWEEIOQBH-UHFFFAOYSA-N 1 2 276.336 1.200 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c3c(nn2C)CCCC3)CC1 ZINC000948555858 613714717 /nfs/dbraw/zinc/71/47/17/613714717.db2.gz QQIQLDJWQDHVTJ-UHFFFAOYSA-N 1 2 288.395 1.243 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc3onc(C)c3c2)CC1 ZINC000949577847 613717847 /nfs/dbraw/zinc/71/78/47/613717847.db2.gz NFJPILLFVDAIGG-UHFFFAOYSA-N 1 2 286.335 1.475 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ncnc3ccsc32)CC1 ZINC000948668607 613719220 /nfs/dbraw/zinc/71/92/20/613719220.db2.gz GRSOEDLYYQBZKU-UHFFFAOYSA-N 1 2 288.376 1.635 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(C)CC3)C2)C1 ZINC000972395168 613722416 /nfs/dbraw/zinc/72/24/16/613722416.db2.gz AEGXZZNIDVYGLL-HNNXBMFYSA-N 1 2 264.369 1.276 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(C)CC3)C2)C1 ZINC000972395168 613722419 /nfs/dbraw/zinc/72/24/19/613722419.db2.gz AEGXZZNIDVYGLL-HNNXBMFYSA-N 1 2 264.369 1.276 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)SC)C2)C1 ZINC000972341010 613723765 /nfs/dbraw/zinc/72/37/65/613723765.db2.gz AETCOJVMICTAFN-ZFWWWQNUSA-N 1 2 298.452 1.617 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)SC)C2)C1 ZINC000972341010 613723766 /nfs/dbraw/zinc/72/37/66/613723766.db2.gz AETCOJVMICTAFN-ZFWWWQNUSA-N 1 2 298.452 1.617 20 30 CDEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@@H]1CO ZINC000934024359 617845169 /nfs/dbraw/zinc/84/51/69/617845169.db2.gz QRQCWTFGTWGSQX-GFCCVEGCSA-N 1 2 266.728 1.809 20 30 CDEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]1CO ZINC000934024359 617845171 /nfs/dbraw/zinc/84/51/71/617845171.db2.gz QRQCWTFGTWGSQX-GFCCVEGCSA-N 1 2 266.728 1.809 20 30 CDEDLO CCc1ccccc1NC(=O)[C@H](C)O[NH+]=C(N)CCO ZINC000121392569 618632265 /nfs/dbraw/zinc/63/22/65/618632265.db2.gz MNGPHSOXYHTYTP-JTQLQIEISA-N 1 2 279.340 1.247 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)CCCN1O ZINC000895156953 619372374 /nfs/dbraw/zinc/37/23/74/619372374.db2.gz JFPMBFRVIAAKPF-JTQLQIEISA-N 1 2 272.251 1.140 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCCN1O ZINC000895157378 619373436 /nfs/dbraw/zinc/37/34/36/619373436.db2.gz CBEHGWCBOVBAQX-SNVBAGLBSA-N 1 2 288.706 1.655 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CCCN1O ZINC000895161529 619380197 /nfs/dbraw/zinc/38/01/97/619380197.db2.gz SFWHLIKJDHJZDB-SECBINFHSA-N 1 2 288.706 1.655 20 30 CDEDLO Cc1nc(C[NH2+][C@@H]2CCCN(O)C2=O)sc1C ZINC000895193891 619443406 /nfs/dbraw/zinc/44/34/06/619443406.db2.gz VZEGNUBWKUZKTF-SECBINFHSA-N 1 2 255.343 1.230 20 30 CDEDLO C[C@@H](C#N)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000896741972 620220564 /nfs/dbraw/zinc/22/05/64/620220564.db2.gz JAQUQOWAUFMBCI-CABZTGNLSA-N 1 2 261.329 1.066 20 30 CDEDLO C[C@@H](C#N)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000896741972 620220566 /nfs/dbraw/zinc/22/05/66/620220566.db2.gz JAQUQOWAUFMBCI-CABZTGNLSA-N 1 2 261.329 1.066 20 30 CDEDLO N#Cc1cnn2cc(C[N@@H+]3CCn4cccc4C3)cnc12 ZINC000896760421 620225665 /nfs/dbraw/zinc/22/56/65/620225665.db2.gz LYGLUUZOPJMTEW-UHFFFAOYSA-N 1 2 278.319 1.418 20 30 CDEDLO N#Cc1cnn2cc(C[N@H+]3CCn4cccc4C3)cnc12 ZINC000896760421 620225666 /nfs/dbraw/zinc/22/56/66/620225666.db2.gz LYGLUUZOPJMTEW-UHFFFAOYSA-N 1 2 278.319 1.418 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N[C@H](CC)C[NH+]1CCOCC1)OCC ZINC000928643671 620299312 /nfs/dbraw/zinc/29/93/12/620299312.db2.gz UOKJFEISCZZCAX-HUUCEWRRSA-N 1 2 298.427 1.585 20 30 CDEDLO C=C[C@@](C)(O)C(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000898313257 621492376 /nfs/dbraw/zinc/49/23/76/621492376.db2.gz WKSSWYWOPIGFRH-CYBMUJFWSA-N 1 2 283.397 1.860 20 30 CDEDLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000898546732 621787849 /nfs/dbraw/zinc/78/78/49/621787849.db2.gz XYSJOMBXASQFTP-GFCCVEGCSA-N 1 2 263.366 1.720 20 30 CDEDLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000898546732 621787852 /nfs/dbraw/zinc/78/78/52/621787852.db2.gz XYSJOMBXASQFTP-GFCCVEGCSA-N 1 2 263.366 1.720 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)NC(=O)C2 ZINC000899817318 622462895 /nfs/dbraw/zinc/46/28/95/622462895.db2.gz GTQKCCMYVSMEQA-AWEZNQCLSA-N 1 2 283.331 1.217 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)NC(=O)C2 ZINC000899817318 622462897 /nfs/dbraw/zinc/46/28/97/622462897.db2.gz GTQKCCMYVSMEQA-AWEZNQCLSA-N 1 2 283.331 1.217 20 30 CDEDLO C#Cc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000899918445 622528849 /nfs/dbraw/zinc/52/88/49/622528849.db2.gz NPJKCYMIJSLPKD-HNNXBMFYSA-N 1 2 257.337 1.286 20 30 CDEDLO C#Cc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000899918445 622528853 /nfs/dbraw/zinc/52/88/53/622528853.db2.gz NPJKCYMIJSLPKD-HNNXBMFYSA-N 1 2 257.337 1.286 20 30 CDEDLO C=CCNC(=S)NCCc1cn2c([nH+]1)CCCC2 ZINC000916010592 631892666 /nfs/dbraw/zinc/89/26/66/631892666.db2.gz NALHDYUCXMCRRE-UHFFFAOYSA-N 1 2 264.398 1.412 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2[nH]c(C)c(C=O)c2C)C1 ZINC000923598984 632172782 /nfs/dbraw/zinc/17/27/82/632172782.db2.gz YXRJAONPTTYMRW-CYBMUJFWSA-N 1 2 287.363 1.271 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2[nH]c(C)c(C=O)c2C)C1 ZINC000923598984 632172783 /nfs/dbraw/zinc/17/27/83/632172783.db2.gz YXRJAONPTTYMRW-CYBMUJFWSA-N 1 2 287.363 1.271 20 30 CDEDLO C=CC[N@H+](CN1C(=O)N[C@](C)(C2CC2)C1=O)C(C)C ZINC000917481549 632220890 /nfs/dbraw/zinc/22/08/90/632220890.db2.gz NTRAIQMEONOLGD-CQSZACIVSA-N 1 2 265.357 1.561 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)N[C@](C)(C2CC2)C1=O)C(C)C ZINC000917481549 632220891 /nfs/dbraw/zinc/22/08/91/632220891.db2.gz NTRAIQMEONOLGD-CQSZACIVSA-N 1 2 265.357 1.561 20 30 CDEDLO CC#CCCO[NH+]=C(N)Cc1ccc(OC)c(OC)c1 ZINC000154866359 632476208 /nfs/dbraw/zinc/47/62/08/632476208.db2.gz PZHBIYTXKBJFRA-UHFFFAOYSA-N 1 2 276.336 1.949 20 30 CDEDLO N#CCNC[C@H]1CCC[C@@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001753903298 1158492849 /nfs/dbraw/zinc/49/28/49/1158492849.db2.gz XDCNJRYQTPECDK-KGLIPLIRSA-N 1 2 289.383 1.061 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cn[nH]n2)C1 ZINC001033887631 695283017 /nfs/dbraw/zinc/28/30/17/695283017.db2.gz JVMZMVRRGHXMRJ-JTQLQIEISA-N 1 2 283.763 1.094 20 30 CDEDLO C[C@H](NC(=O)C#CC(C)(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000837399302 695474166 /nfs/dbraw/zinc/47/41/66/695474166.db2.gz RFVVVEJKWVCCDI-STQMWFEESA-N 1 2 266.385 1.261 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC001027736118 695989224 /nfs/dbraw/zinc/98/92/24/695989224.db2.gz FSJSYNJKRLAVSE-VXGBXAGGSA-N 1 2 272.776 1.499 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC001027736118 695989225 /nfs/dbraw/zinc/98/92/25/695989225.db2.gz FSJSYNJKRLAVSE-VXGBXAGGSA-N 1 2 272.776 1.499 20 30 CDEDLO C#CC1(NC(=O)NCCCCn2cc[nH+]c2)CCCC1 ZINC000883174390 695254550 /nfs/dbraw/zinc/25/45/50/695254550.db2.gz KAIFSQHSSCWPEF-UHFFFAOYSA-N 1 2 274.368 1.909 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2nonc2C)C1 ZINC001034550137 695266726 /nfs/dbraw/zinc/26/67/26/695266726.db2.gz SRWMCWJIZFNYMM-LLVKDONJSA-N 1 2 298.774 1.715 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2nonc2C)C1 ZINC001034550137 695266731 /nfs/dbraw/zinc/26/67/31/695266731.db2.gz SRWMCWJIZFNYMM-LLVKDONJSA-N 1 2 298.774 1.715 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cn[nH]n2)C1 ZINC001033887631 695283013 /nfs/dbraw/zinc/28/30/13/695283013.db2.gz JVMZMVRRGHXMRJ-JTQLQIEISA-N 1 2 283.763 1.094 20 30 CDEDLO Cc1nc(C2([NH2+]CCO[C@@H](C)C#N)CCCC2)no1 ZINC000801925676 695294951 /nfs/dbraw/zinc/29/49/51/695294951.db2.gz PXQQALYDVJTXML-JTQLQIEISA-N 1 2 264.329 1.666 20 30 CDEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2Cl)C1 ZINC001047515847 695301494 /nfs/dbraw/zinc/30/14/94/695301494.db2.gz OBMIJGIDAOIIPY-RYUDHWBXSA-N 1 2 296.754 1.073 20 30 CDEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2Cl)C1 ZINC001047515847 695301499 /nfs/dbraw/zinc/30/14/99/695301499.db2.gz OBMIJGIDAOIIPY-RYUDHWBXSA-N 1 2 296.754 1.073 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001030757742 695311451 /nfs/dbraw/zinc/31/14/51/695311451.db2.gz DXCIHTBGDRPULR-UHFFFAOYSA-N 1 2 281.359 1.914 20 30 CDEDLO CC[N@@H+](Cc1cccc(S(N)(=O)=O)c1)C[C@@H](C)C#N ZINC000876617292 695316314 /nfs/dbraw/zinc/31/63/14/695316314.db2.gz JLNNKHCBSFMUON-NSHDSACASA-N 1 2 281.381 1.316 20 30 CDEDLO CC[N@H+](Cc1cccc(S(N)(=O)=O)c1)C[C@@H](C)C#N ZINC000876617292 695316316 /nfs/dbraw/zinc/31/63/16/695316316.db2.gz JLNNKHCBSFMUON-NSHDSACASA-N 1 2 281.381 1.316 20 30 CDEDLO C[C@@H]1C[NH+]=C(NN=Cc2ccc(O)c(Cl)c2)N1 ZINC000779793833 695330862 /nfs/dbraw/zinc/33/08/62/695330862.db2.gz ASAKWQSRVVJELN-SSDOTTSWSA-N 1 2 252.705 1.317 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccoc2C)C1 ZINC001035283603 695343892 /nfs/dbraw/zinc/34/38/92/695343892.db2.gz NPQDGFBPNWDPFF-ZDUSSCGKSA-N 1 2 278.352 1.595 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccoc2C)C1 ZINC001035283603 695343893 /nfs/dbraw/zinc/34/38/93/695343893.db2.gz NPQDGFBPNWDPFF-ZDUSSCGKSA-N 1 2 278.352 1.595 20 30 CDEDLO C[C@@H](C#N)OCCO[NH+]=C(N)c1ccc(F)cc1 ZINC000802727362 695353326 /nfs/dbraw/zinc/35/33/26/695353326.db2.gz GYPCVHXGUGYIGX-VIFPVBQESA-N 1 2 251.261 1.391 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc[nH]c1C1CC1 ZINC001038653548 695377154 /nfs/dbraw/zinc/37/71/54/695377154.db2.gz XPKNLRIQOATWOC-GFCCVEGCSA-N 1 2 257.337 1.329 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc[nH]c1C1CC1 ZINC001038653548 695377156 /nfs/dbraw/zinc/37/71/56/695377156.db2.gz XPKNLRIQOATWOC-GFCCVEGCSA-N 1 2 257.337 1.329 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc[nH]c2CCC)C1 ZINC001030819524 695386130 /nfs/dbraw/zinc/38/61/30/695386130.db2.gz IONOETIFSQQMJX-UHFFFAOYSA-N 1 2 259.353 1.405 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C2CC2)on1 ZINC001017777437 695397936 /nfs/dbraw/zinc/39/79/36/695397936.db2.gz USOMRNMDKWPRCP-OKILXGFUSA-N 1 2 299.374 1.864 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C2CC2)on1 ZINC001017777437 695397938 /nfs/dbraw/zinc/39/79/38/695397938.db2.gz USOMRNMDKWPRCP-OKILXGFUSA-N 1 2 299.374 1.864 20 30 CDEDLO C=CC[N@H+](CN1C(=O)CC2(CCCC2)C1=O)[C@H](C)COC ZINC000853533242 695407456 /nfs/dbraw/zinc/40/74/56/695407456.db2.gz ZDKJIXLJQWSXIH-CYBMUJFWSA-N 1 2 294.395 1.786 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)CC2(CCCC2)C1=O)[C@H](C)COC ZINC000853533242 695407457 /nfs/dbraw/zinc/40/74/57/695407457.db2.gz ZDKJIXLJQWSXIH-CYBMUJFWSA-N 1 2 294.395 1.786 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c(C)ccnc2OCC)C1 ZINC001030737351 695422367 /nfs/dbraw/zinc/42/23/67/695422367.db2.gz UKLFZVDRQWCSDS-UHFFFAOYSA-N 1 2 287.363 1.226 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc[nH]1)O2 ZINC001053573130 695428366 /nfs/dbraw/zinc/42/83/66/695428366.db2.gz BGLFFPLZLBGMJT-LBPRGKRZSA-N 1 2 275.352 1.164 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2OC)C1 ZINC001035589589 695435423 /nfs/dbraw/zinc/43/54/23/695435423.db2.gz QZCZROGJVDMVIE-CYBMUJFWSA-N 1 2 290.363 1.312 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccccc2OC)C1 ZINC001035589589 695435424 /nfs/dbraw/zinc/43/54/24/695435424.db2.gz QZCZROGJVDMVIE-CYBMUJFWSA-N 1 2 290.363 1.312 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccnc3c2ncn3C)C1 ZINC001043831575 695476265 /nfs/dbraw/zinc/47/62/65/695476265.db2.gz KIYINBHSDGZYNP-UHFFFAOYSA-N 1 2 299.378 1.301 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C2CC2)n(C)n1 ZINC001017601660 695483001 /nfs/dbraw/zinc/48/30/01/695483001.db2.gz KCEDSRQOQITKAC-OKILXGFUSA-N 1 2 298.390 1.220 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C2CC2)n(C)n1 ZINC001017601660 695483006 /nfs/dbraw/zinc/48/30/06/695483006.db2.gz KCEDSRQOQITKAC-OKILXGFUSA-N 1 2 298.390 1.220 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1C(C)C ZINC001032809268 695508053 /nfs/dbraw/zinc/50/80/53/695508053.db2.gz JKVOONSGZUZTBE-STQMWFEESA-N 1 2 272.348 1.935 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1C(C)C ZINC001032809268 695508055 /nfs/dbraw/zinc/50/80/55/695508055.db2.gz JKVOONSGZUZTBE-STQMWFEESA-N 1 2 272.348 1.935 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCO[C@H](CC)C2)C1 ZINC001044151245 695514944 /nfs/dbraw/zinc/51/49/44/695514944.db2.gz AQGYVXLYYQNLII-GXTWGEPZSA-N 1 2 266.385 1.520 20 30 CDEDLO C#CCOCCN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000851784070 695526444 /nfs/dbraw/zinc/52/64/44/695526444.db2.gz FXDNPBJEMSIEOK-OAHLLOKOSA-N 1 2 273.380 1.410 20 30 CDEDLO C[N@H+](CCOc1cccc(C#N)c1)[C@H]1CC(C)(C)OC1=O ZINC000795685772 695528600 /nfs/dbraw/zinc/52/86/00/695528600.db2.gz RTXGKBFIRWWSKD-AWEZNQCLSA-N 1 2 288.347 1.963 20 30 CDEDLO C[N@@H+](CCOc1cccc(C#N)c1)[C@H]1CC(C)(C)OC1=O ZINC000795685772 695528626 /nfs/dbraw/zinc/52/86/26/695528626.db2.gz RTXGKBFIRWWSKD-AWEZNQCLSA-N 1 2 288.347 1.963 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC001015909461 695533526 /nfs/dbraw/zinc/53/35/26/695533526.db2.gz XEKOIHYJQBAUIY-WCQYABFASA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC001015909461 695533527 /nfs/dbraw/zinc/53/35/27/695533527.db2.gz XEKOIHYJQBAUIY-WCQYABFASA-N 1 2 272.776 1.356 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCO[C@H](C(C)C)C2)C1 ZINC001044142702 695574393 /nfs/dbraw/zinc/57/43/93/695574393.db2.gz PXPIZJIJFPXVOC-HIFRSBDPSA-N 1 2 280.412 1.766 20 30 CDEDLO C=C(C)C[C@@H](CO)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000883006081 695640282 /nfs/dbraw/zinc/64/02/82/695640282.db2.gz ILDYQQCEXOBDRQ-QWRGUYRKSA-N 1 2 266.345 1.008 20 30 CDEDLO C=C(C)C[C@@H](CO)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000883006081 695640287 /nfs/dbraw/zinc/64/02/87/695640287.db2.gz ILDYQQCEXOBDRQ-QWRGUYRKSA-N 1 2 266.345 1.008 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@H](C)Cc3c[nH]nc32)C1 ZINC001030836428 695654702 /nfs/dbraw/zinc/65/47/02/695654702.db2.gz OTSDIPLJEULDKI-BXUZGUMPSA-N 1 2 288.395 1.452 20 30 CDEDLO CCN(CCO)N=C(C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000842536559 695658392 /nfs/dbraw/zinc/65/83/92/695658392.db2.gz ZMDCVYZZKLPGME-UHFFFAOYSA-N 1 2 272.352 1.911 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1O ZINC001017366199 695662136 /nfs/dbraw/zinc/66/21/36/695662136.db2.gz JIJRLQITSWGTMW-BETUJISGSA-N 1 2 270.332 1.314 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1O ZINC001017366199 695662138 /nfs/dbraw/zinc/66/21/38/695662138.db2.gz JIJRLQITSWGTMW-BETUJISGSA-N 1 2 270.332 1.314 20 30 CDEDLO C#CC[C@@H](CO)Nc1nc(C)[nH+]c(C)c1Br ZINC000717733889 695671289 /nfs/dbraw/zinc/67/12/89/695671289.db2.gz SSFORZMQAGWRMT-VIFPVBQESA-N 1 2 284.157 1.652 20 30 CDEDLO Cc1cc(NN=Cc2cn(C)nc2C(F)F)nc(N)[nH+]1 ZINC000872421084 695671699 /nfs/dbraw/zinc/67/16/99/695671699.db2.gz YAEOCNUIBBTTBZ-UHFFFAOYSA-N 1 2 281.270 1.484 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)Nc1ccccc1 ZINC001032496789 695752751 /nfs/dbraw/zinc/75/27/51/695752751.db2.gz RJEBSUFONMBAOD-KBPBESRZSA-N 1 2 285.347 1.096 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)Nc1ccccc1 ZINC001032496789 695752753 /nfs/dbraw/zinc/75/27/53/695752753.db2.gz RJEBSUFONMBAOD-KBPBESRZSA-N 1 2 285.347 1.096 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccncc1F ZINC001032328187 695773028 /nfs/dbraw/zinc/77/30/28/695773028.db2.gz LEIXTMKWKSGYII-RYUDHWBXSA-N 1 2 273.311 1.143 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccncc1F ZINC001032328187 695773031 /nfs/dbraw/zinc/77/30/31/695773031.db2.gz LEIXTMKWKSGYII-RYUDHWBXSA-N 1 2 273.311 1.143 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(-c3ccco3)n[nH]2)C1 ZINC001043958531 695792339 /nfs/dbraw/zinc/79/23/39/695792339.db2.gz AODIZKVFSBRQCB-UHFFFAOYSA-N 1 2 298.346 1.449 20 30 CDEDLO C#CCCN(CCOC)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000823125871 695792966 /nfs/dbraw/zinc/79/29/66/695792966.db2.gz QSMWRZSNWNFPNM-UHFFFAOYSA-N 1 2 286.335 1.838 20 30 CDEDLO CC(F)(F)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004327492 695797562 /nfs/dbraw/zinc/79/75/62/695797562.db2.gz RDWPASTZBZDGBI-GFCCVEGCSA-N 1 2 285.338 1.868 20 30 CDEDLO CC(F)(F)C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004327492 695797568 /nfs/dbraw/zinc/79/75/68/695797568.db2.gz RDWPASTZBZDGBI-GFCCVEGCSA-N 1 2 285.338 1.868 20 30 CDEDLO CC(C)c1nnc(CO[NH+]=C(N)Cc2cccnc2)o1 ZINC000092915958 695800093 /nfs/dbraw/zinc/80/00/93/695800093.db2.gz QXQBXRWKPPEJMI-UHFFFAOYSA-N 1 2 275.312 1.620 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)o1 ZINC000814099681 695805427 /nfs/dbraw/zinc/80/54/27/695805427.db2.gz FQZNUCOFXOXNPF-CYBMUJFWSA-N 1 2 289.335 1.088 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1csc(C)n1 ZINC001038628092 695806902 /nfs/dbraw/zinc/80/69/02/695806902.db2.gz MYQAHGXADCSRRM-LLVKDONJSA-N 1 2 263.366 1.279 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1csc(C)n1 ZINC001038628092 695806904 /nfs/dbraw/zinc/80/69/04/695806904.db2.gz MYQAHGXADCSRRM-LLVKDONJSA-N 1 2 263.366 1.279 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(COC)cs2)C1 ZINC000923551609 695811224 /nfs/dbraw/zinc/81/12/24/695811224.db2.gz AWQDIPFCVBZFMX-CYBMUJFWSA-N 1 2 292.404 1.722 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(COC)cs2)C1 ZINC000923551609 695811225 /nfs/dbraw/zinc/81/12/25/695811225.db2.gz AWQDIPFCVBZFMX-CYBMUJFWSA-N 1 2 292.404 1.722 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c([nH]1)CCCC2 ZINC001032719158 695813839 /nfs/dbraw/zinc/81/38/39/695813839.db2.gz YYCMKDVQSBECMX-GJZGRUSLSA-N 1 2 297.402 1.816 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c([nH]1)CCCC2 ZINC001032719158 695813841 /nfs/dbraw/zinc/81/38/41/695813841.db2.gz YYCMKDVQSBECMX-GJZGRUSLSA-N 1 2 297.402 1.816 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1F ZINC000839848729 695815307 /nfs/dbraw/zinc/81/53/07/695815307.db2.gz OVMWPDBHEHMXDK-UPJWGTAASA-N 1 2 252.333 1.481 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1F ZINC000839848729 695815308 /nfs/dbraw/zinc/81/53/08/695815308.db2.gz OVMWPDBHEHMXDK-UPJWGTAASA-N 1 2 252.333 1.481 20 30 CDEDLO N#CC1(C[C@@H](O)C[N@@H+]2Cc3ccncc3C2)CCC1 ZINC000886203057 695815956 /nfs/dbraw/zinc/81/59/56/695815956.db2.gz LBLSRVQKZPWERE-CQSZACIVSA-N 1 2 257.337 1.842 20 30 CDEDLO N#CC1(C[C@@H](O)C[N@H+]2Cc3ccncc3C2)CCC1 ZINC000886203057 695815957 /nfs/dbraw/zinc/81/59/57/695815957.db2.gz LBLSRVQKZPWERE-CQSZACIVSA-N 1 2 257.337 1.842 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(C)ccc1C ZINC000884043758 695827558 /nfs/dbraw/zinc/82/75/58/695827558.db2.gz IYHZUINHMRSEAF-LBPRGKRZSA-N 1 2 276.336 1.689 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2ccsc2c1 ZINC001032558390 695833011 /nfs/dbraw/zinc/83/30/11/695833011.db2.gz SRTRKJPSZPIFHD-STQMWFEESA-N 1 2 297.383 1.828 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2ccsc2c1 ZINC001032558390 695833013 /nfs/dbraw/zinc/83/30/13/695833013.db2.gz SRTRKJPSZPIFHD-STQMWFEESA-N 1 2 297.383 1.828 20 30 CDEDLO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001017932383 695839667 /nfs/dbraw/zinc/83/96/67/695839667.db2.gz GWXPJNIMHYYDJG-FRRDWIJNSA-N 1 2 299.378 1.028 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001035409318 695847697 /nfs/dbraw/zinc/84/76/97/695847697.db2.gz ZRSIJPVPWWCBQZ-ILXRZTDVSA-N 1 2 296.411 1.195 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001035409318 695847698 /nfs/dbraw/zinc/84/76/98/695847698.db2.gz ZRSIJPVPWWCBQZ-ILXRZTDVSA-N 1 2 296.411 1.195 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccccc3C)C2)C1 ZINC000972235783 695849790 /nfs/dbraw/zinc/84/97/90/695849790.db2.gz WYGQCMUOKCOAHJ-SFHVURJKSA-N 1 2 298.386 1.545 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccccc3C)C2)C1 ZINC000972235783 695849791 /nfs/dbraw/zinc/84/97/91/695849791.db2.gz WYGQCMUOKCOAHJ-SFHVURJKSA-N 1 2 298.386 1.545 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C(F)F)[C@@H]2C1 ZINC001075472011 695854507 /nfs/dbraw/zinc/85/45/07/695854507.db2.gz HRLVCUFPTIQVIQ-DTWKUNHWSA-N 1 2 264.703 1.537 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C(F)F)[C@@H]2C1 ZINC001075472011 695854509 /nfs/dbraw/zinc/85/45/09/695854509.db2.gz HRLVCUFPTIQVIQ-DTWKUNHWSA-N 1 2 264.703 1.537 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C(C)=O)c2)C1 ZINC000923570323 695857415 /nfs/dbraw/zinc/85/74/15/695857415.db2.gz QUSHWSXXVVTCKE-MRXNPFEDSA-N 1 2 284.359 1.717 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C(C)=O)c2)C1 ZINC000923570323 695857416 /nfs/dbraw/zinc/85/74/16/695857416.db2.gz QUSHWSXXVVTCKE-MRXNPFEDSA-N 1 2 284.359 1.717 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2[nH]c(C)nc2C)C1 ZINC001035508237 695857501 /nfs/dbraw/zinc/85/75/01/695857501.db2.gz JXTCRQMUOSAJPJ-CYBMUJFWSA-N 1 2 292.383 1.033 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2[nH]c(C)nc2C)C1 ZINC001035508237 695857504 /nfs/dbraw/zinc/85/75/04/695857504.db2.gz JXTCRQMUOSAJPJ-CYBMUJFWSA-N 1 2 292.383 1.033 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1cccnc1 ZINC001018182804 695869499 /nfs/dbraw/zinc/86/94/99/695869499.db2.gz KYYRFSLPRAOYKS-OIISXLGYSA-N 1 2 297.402 1.884 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1cccnc1 ZINC001018182804 695869500 /nfs/dbraw/zinc/86/95/00/695869500.db2.gz KYYRFSLPRAOYKS-OIISXLGYSA-N 1 2 297.402 1.884 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001032336064 695878040 /nfs/dbraw/zinc/87/80/40/695878040.db2.gz KJCVWMHCWYNZPR-RFBLXINOSA-N 1 2 272.392 1.731 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001032336064 695878041 /nfs/dbraw/zinc/87/80/41/695878041.db2.gz KJCVWMHCWYNZPR-RFBLXINOSA-N 1 2 272.392 1.731 20 30 CDEDLO C#CCOc1cccc(Cl)c1C[NH2+]CC(=O)NCC ZINC000778152050 695879294 /nfs/dbraw/zinc/87/92/94/695879294.db2.gz QRVRIBIUYVCYPS-UHFFFAOYSA-N 1 2 280.755 1.578 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc[nH]c1CC ZINC001050909789 695889986 /nfs/dbraw/zinc/88/99/86/695889986.db2.gz XARVUHRLIPHLFX-ZDUSSCGKSA-N 1 2 291.395 1.584 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc[nH]c1CC ZINC001050909789 695889988 /nfs/dbraw/zinc/88/99/88/695889988.db2.gz XARVUHRLIPHLFX-ZDUSSCGKSA-N 1 2 291.395 1.584 20 30 CDEDLO CCc1ccc([C@@H](C#N)NC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC000854474007 695893595 /nfs/dbraw/zinc/89/35/95/695893595.db2.gz IOIIKUUHZSZUSU-CYBMUJFWSA-N 1 2 268.320 1.896 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](CC)O1 ZINC001017597875 695894434 /nfs/dbraw/zinc/89/44/34/695894434.db2.gz YOFSGBLYHXHOMZ-QKPAOTATSA-N 1 2 290.407 1.643 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](CC)O1 ZINC001017597875 695894435 /nfs/dbraw/zinc/89/44/35/695894435.db2.gz YOFSGBLYHXHOMZ-QKPAOTATSA-N 1 2 290.407 1.643 20 30 CDEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ncc[nH]1 ZINC001014378544 695903239 /nfs/dbraw/zinc/90/32/39/695903239.db2.gz GIDZBEGTFVLTNA-HNNXBMFYSA-N 1 2 294.358 1.266 20 30 CDEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ncc[nH]1 ZINC001014378544 695903241 /nfs/dbraw/zinc/90/32/41/695903241.db2.gz GIDZBEGTFVLTNA-HNNXBMFYSA-N 1 2 294.358 1.266 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2scnc2CC)CC[C@H]1C ZINC001071552082 695911417 /nfs/dbraw/zinc/91/14/17/695911417.db2.gz IVJKVVWROBUDDI-VXGBXAGGSA-N 1 2 291.420 1.921 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2scnc2CC)CC[C@H]1C ZINC001071552082 695911421 /nfs/dbraw/zinc/91/14/21/695911421.db2.gz IVJKVVWROBUDDI-VXGBXAGGSA-N 1 2 291.420 1.921 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCc3cccnc32)C1 ZINC001043601568 695914836 /nfs/dbraw/zinc/91/48/36/695914836.db2.gz DOQGOWKAKYOCSC-MRXNPFEDSA-N 1 2 297.402 1.667 20 30 CDEDLO Cn1c[nH+]cc1CCn1cc2c(c(C#N)c1=O)CCCC2 ZINC000853704761 695961615 /nfs/dbraw/zinc/96/16/15/695961615.db2.gz YVDKDDOTXYCAFX-UHFFFAOYSA-N 1 2 282.347 1.575 20 30 CDEDLO N#CCN1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001052552758 695966554 /nfs/dbraw/zinc/96/65/54/695966554.db2.gz ABJWSYRTKNQTOA-ZDUSSCGKSA-N 1 2 297.362 1.442 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2OCCc3ccccc32)C1 ZINC001031281900 695975358 /nfs/dbraw/zinc/97/53/58/695975358.db2.gz SHFSMCMOGKEAJA-MRXNPFEDSA-N 1 2 286.375 1.677 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c[nH]nc2CCC)C1 ZINC001030592352 695989862 /nfs/dbraw/zinc/98/98/62/695989862.db2.gz YALAUUUMZPEUPA-UHFFFAOYSA-N 1 2 262.357 1.352 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1CCC1 ZINC001054029198 695991085 /nfs/dbraw/zinc/99/10/85/695991085.db2.gz HRSUEGANOOMMLK-KRWDZBQOSA-N 1 2 282.387 1.963 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1CCC1 ZINC001054029198 695991088 /nfs/dbraw/zinc/99/10/88/695991088.db2.gz HRSUEGANOOMMLK-KRWDZBQOSA-N 1 2 282.387 1.963 20 30 CDEDLO C=C(C)C[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(=O)OCC ZINC000881756237 696001296 /nfs/dbraw/zinc/00/12/96/696001296.db2.gz UUTROQALDRPSOI-AAEUAGOBSA-N 1 2 293.367 1.602 20 30 CDEDLO C=C(C)C[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(=O)OCC ZINC000881756237 696001297 /nfs/dbraw/zinc/00/12/97/696001297.db2.gz UUTROQALDRPSOI-AAEUAGOBSA-N 1 2 293.367 1.602 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000779089005 696002964 /nfs/dbraw/zinc/00/29/64/696002964.db2.gz ZBJXNEPEKVFQOI-DOMZBBRYSA-N 1 2 286.379 1.890 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000779089005 696002965 /nfs/dbraw/zinc/00/29/65/696002965.db2.gz ZBJXNEPEKVFQOI-DOMZBBRYSA-N 1 2 286.379 1.890 20 30 CDEDLO C#CCOc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000779094229 696034974 /nfs/dbraw/zinc/03/49/74/696034974.db2.gz BCFFNGLONRCPEX-CQSZACIVSA-N 1 2 295.342 1.640 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1C1CCCC1 ZINC001032428098 696068395 /nfs/dbraw/zinc/06/83/95/696068395.db2.gz ITTPRTWKJOBNNM-GJZGRUSLSA-N 1 2 298.390 1.530 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1C1CCCC1 ZINC001032428098 696068398 /nfs/dbraw/zinc/06/83/98/696068398.db2.gz ITTPRTWKJOBNNM-GJZGRUSLSA-N 1 2 298.390 1.530 20 30 CDEDLO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1scnc1Cl ZINC001039035810 696090640 /nfs/dbraw/zinc/09/06/40/696090640.db2.gz DYOTVLNHHACJFQ-SECBINFHSA-N 1 2 283.784 1.624 20 30 CDEDLO C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1scnc1Cl ZINC001039035810 696090643 /nfs/dbraw/zinc/09/06/43/696090643.db2.gz DYOTVLNHHACJFQ-SECBINFHSA-N 1 2 283.784 1.624 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)cc(F)c2)C1 ZINC001035524468 696090444 /nfs/dbraw/zinc/09/04/44/696090444.db2.gz RTHBZMOGXIJWST-HNNXBMFYSA-N 1 2 292.354 1.751 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)cc(F)c2)C1 ZINC001035524468 696090449 /nfs/dbraw/zinc/09/04/49/696090449.db2.gz RTHBZMOGXIJWST-HNNXBMFYSA-N 1 2 292.354 1.751 20 30 CDEDLO C[C@@H](O)CN(C)[NH+]=Cc1cc(F)c(N(C)C)cc1F ZINC000863120853 696101621 /nfs/dbraw/zinc/10/16/21/696101621.db2.gz UBUMKCQCFUYKBH-SECBINFHSA-N 1 2 271.311 1.677 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(F)ccc2OC)C1 ZINC001030764619 696160135 /nfs/dbraw/zinc/16/01/35/696160135.db2.gz YGADFIBSUZHXSH-UHFFFAOYSA-N 1 2 276.311 1.272 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)N2CCC[C@@H](CC#N)C2)CCO1 ZINC000853607440 696165212 /nfs/dbraw/zinc/16/52/12/696165212.db2.gz ZKMGIMUDGLPOCP-KBPBESRZSA-N 1 2 294.399 1.042 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)N2CCC[C@@H](CC#N)C2)CCO1 ZINC000853607440 696165220 /nfs/dbraw/zinc/16/52/20/696165220.db2.gz ZKMGIMUDGLPOCP-KBPBESRZSA-N 1 2 294.399 1.042 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001030707096 696178045 /nfs/dbraw/zinc/17/80/45/696178045.db2.gz DAXAHUPDTMVDAN-FUHWJXTLSA-N 1 2 282.387 1.788 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(F)F)n[nH]1 ZINC001038692722 696184003 /nfs/dbraw/zinc/18/40/03/696184003.db2.gz ZLRGLGTXLOUFCE-VIFPVBQESA-N 1 2 282.294 1.175 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(F)F)n[nH]1 ZINC001038692722 696184006 /nfs/dbraw/zinc/18/40/06/696184006.db2.gz ZLRGLGTXLOUFCE-VIFPVBQESA-N 1 2 282.294 1.175 20 30 CDEDLO CCOC(=O)[C@@H](C#N)Nc1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001170371297 1162345827 /nfs/dbraw/zinc/34/58/27/1162345827.db2.gz QYCMYCJZLSRGEC-GFCCVEGCSA-N 1 2 288.282 1.879 20 30 CDEDLO CCOC(=O)[C@H](C#N)Nc1ccc([NH+](C)C)c(C)c1 ZINC001170371643 1162349756 /nfs/dbraw/zinc/34/97/56/1162349756.db2.gz WGTZHGRBDBMOSL-LBPRGKRZSA-N 1 2 261.325 1.928 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cocc2C)[C@H](O)C1 ZINC001090491511 1162693929 /nfs/dbraw/zinc/69/39/29/1162693929.db2.gz CDQGNZRBMRAMTR-CHWSQXEVSA-N 1 2 298.770 1.506 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cocc2C)[C@H](O)C1 ZINC001090491511 1162693932 /nfs/dbraw/zinc/69/39/32/1162693932.db2.gz CDQGNZRBMRAMTR-CHWSQXEVSA-N 1 2 298.770 1.506 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC(C)(C)O)CC[C@@H]1C ZINC001132009065 1163141551 /nfs/dbraw/zinc/14/15/51/1163141551.db2.gz GAOMZWXIGPMSPE-NWDGAFQWSA-N 1 2 288.819 1.869 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC(C)(C)O)CC[C@@H]1C ZINC001132009065 1163141555 /nfs/dbraw/zinc/14/15/55/1163141555.db2.gz GAOMZWXIGPMSPE-NWDGAFQWSA-N 1 2 288.819 1.869 20 30 CDEDLO C=CC[N@@H+](C)CN1C(=O)C2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000811769169 1163529747 /nfs/dbraw/zinc/52/97/47/1163529747.db2.gz RQMZTDNVOVMJOG-QWHCGFSZSA-N 1 2 264.369 1.622 20 30 CDEDLO C=CC[N@H+](C)CN1C(=O)C2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000811769169 1163529753 /nfs/dbraw/zinc/52/97/53/1163529753.db2.gz RQMZTDNVOVMJOG-QWHCGFSZSA-N 1 2 264.369 1.622 20 30 CDEDLO N#CC1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC001626741464 1165956139 /nfs/dbraw/zinc/95/61/39/1165956139.db2.gz JBZPJMUDCNZXPU-NSHDSACASA-N 1 2 258.325 1.256 20 30 CDEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000877482188 1166047259 /nfs/dbraw/zinc/04/72/59/1166047259.db2.gz ATGNPTIVMDQOQB-GJZGRUSLSA-N 1 2 276.384 1.998 20 30 CDEDLO C=C[C@H]1CCCC[N@H+]1Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000877482188 1166047266 /nfs/dbraw/zinc/04/72/66/1166047266.db2.gz ATGNPTIVMDQOQB-GJZGRUSLSA-N 1 2 276.384 1.998 20 30 CDEDLO O=C1C=C2C[N@@H+](CC3CCOCC3)CC[C@@H]2S1 ZINC001202566857 1166496974 /nfs/dbraw/zinc/49/69/74/1166496974.db2.gz KBWWKTUASRHSQB-LBPRGKRZSA-N 1 2 253.367 1.687 20 30 CDEDLO O=C1C=C2C[N@H+](CC3CCOCC3)CC[C@@H]2S1 ZINC001202566857 1166496979 /nfs/dbraw/zinc/49/69/79/1166496979.db2.gz KBWWKTUASRHSQB-LBPRGKRZSA-N 1 2 253.367 1.687 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)Nc1ccc(OCC#N)cc1 ZINC001646930439 1168262082 /nfs/dbraw/zinc/26/20/82/1168262082.db2.gz JRAMNIAZZGSWIK-UHFFFAOYSA-N 1 2 284.319 1.894 20 30 CDEDLO CC[N@@H+](Cc1cncc(-c2nn[nH]n2)c1)C[C@@H](C)C#N ZINC001590721989 1173499749 /nfs/dbraw/zinc/49/97/49/1173499749.db2.gz XPWHFNMYQLFGGV-JTQLQIEISA-N 1 2 271.328 1.243 20 30 CDEDLO CC[N@H+](Cc1cncc(-c2nn[nH]n2)c1)C[C@@H](C)C#N ZINC001590721989 1173499753 /nfs/dbraw/zinc/49/97/53/1173499753.db2.gz XPWHFNMYQLFGGV-JTQLQIEISA-N 1 2 271.328 1.243 20 30 CDEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccncc2-c2nn[nH]n2)C1 ZINC001603736221 1175611964 /nfs/dbraw/zinc/61/19/64/1175611964.db2.gz HYMUHAPIFAJNKC-CQSZACIVSA-N 1 2 283.339 1.387 20 30 CDEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccncc2-c2nn[nH]n2)C1 ZINC001603736221 1175611968 /nfs/dbraw/zinc/61/19/68/1175611968.db2.gz HYMUHAPIFAJNKC-CQSZACIVSA-N 1 2 283.339 1.387 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)CCC)C1 ZINC001698554079 1175836806 /nfs/dbraw/zinc/83/68/06/1175836806.db2.gz UZJSXJOPYZRXRH-UONOGXRCSA-N 1 2 295.427 1.305 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)CCC)C1 ZINC001698554079 1175836810 /nfs/dbraw/zinc/83/68/10/1175836810.db2.gz UZJSXJOPYZRXRH-UONOGXRCSA-N 1 2 295.427 1.305 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cncnc1 ZINC001716476001 1180239999 /nfs/dbraw/zinc/23/99/99/1180239999.db2.gz KDGZTJXUAHXCPS-JTQLQIEISA-N 1 2 268.748 1.279 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cncnc1 ZINC001716476001 1180240003 /nfs/dbraw/zinc/24/00/03/1180240003.db2.gz KDGZTJXUAHXCPS-JTQLQIEISA-N 1 2 268.748 1.279 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](CCC)OC ZINC001731780826 1182571902 /nfs/dbraw/zinc/57/19/02/1182571902.db2.gz SNXYYQNTUINFEM-NSHDSACASA-N 1 2 262.781 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](CCC)OC ZINC001731780826 1182571899 /nfs/dbraw/zinc/57/18/99/1182571899.db2.gz SNXYYQNTUINFEM-NSHDSACASA-N 1 2 262.781 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccon1 ZINC001753078723 1185045457 /nfs/dbraw/zinc/04/54/57/1185045457.db2.gz MPVKWFBPHJDNFW-UHFFFAOYSA-N 1 2 257.721 1.479 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccon1 ZINC001753078723 1185045460 /nfs/dbraw/zinc/04/54/60/1185045460.db2.gz MPVKWFBPHJDNFW-UHFFFAOYSA-N 1 2 257.721 1.479 20 30 CDEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(=C)Cl ZINC001753102665 1185061827 /nfs/dbraw/zinc/06/18/27/1185061827.db2.gz MMRSEJVFWZUBDO-CHWSQXEVSA-N 1 2 284.787 1.358 20 30 CDEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(=C)Cl ZINC001753102665 1185061830 /nfs/dbraw/zinc/06/18/30/1185061830.db2.gz MMRSEJVFWZUBDO-CHWSQXEVSA-N 1 2 284.787 1.358 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cocn1)C1CC1 ZINC001753152179 1185088123 /nfs/dbraw/zinc/08/81/23/1185088123.db2.gz AFOJDYOVRJPSBA-UHFFFAOYSA-N 1 2 269.732 1.621 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cocn1)C1CC1 ZINC001753152179 1185088130 /nfs/dbraw/zinc/08/81/30/1185088130.db2.gz AFOJDYOVRJPSBA-UHFFFAOYSA-N 1 2 269.732 1.621 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001753651990 1185289307 /nfs/dbraw/zinc/28/93/07/1185289307.db2.gz XSMZZFFLELCSEJ-JYJNAYRXSA-N 1 2 292.423 1.816 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001753651990 1185289310 /nfs/dbraw/zinc/28/93/10/1185289310.db2.gz XSMZZFFLELCSEJ-JYJNAYRXSA-N 1 2 292.423 1.816 20 30 CDEDLO C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)c1[nH]ncc1F ZINC001753996629 1185415244 /nfs/dbraw/zinc/41/52/44/1185415244.db2.gz JVDXPHRHJZRPBM-MRVPVSSYSA-N 1 2 274.727 1.399 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2CC=CCC2)C1 ZINC001754568639 1185668785 /nfs/dbraw/zinc/66/87/85/1185668785.db2.gz DCLGYUWRSOCUQB-CQSZACIVSA-N 1 2 278.396 1.688 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)CSCCC)CO2 ZINC001755057946 1185801076 /nfs/dbraw/zinc/80/10/76/1185801076.db2.gz DOTYTHQZKRPSCE-ZDUSSCGKSA-N 1 2 296.436 1.112 20 30 CDEDLO C[C@H](CNC(=O)[C@@H](C)C#N)[N@H+](C)Cc1ccns1 ZINC001755293427 1185896209 /nfs/dbraw/zinc/89/62/09/1185896209.db2.gz SNZUFIXVXPITGG-VHSXEESVSA-N 1 2 266.370 1.239 20 30 CDEDLO C[C@H](CNC(=O)[C@@H](C)C#N)[N@@H+](C)Cc1ccns1 ZINC001755293427 1185896214 /nfs/dbraw/zinc/89/62/14/1185896214.db2.gz SNZUFIXVXPITGG-VHSXEESVSA-N 1 2 266.370 1.239 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000878591806 725299113 /nfs/dbraw/zinc/29/91/13/725299113.db2.gz GLRLEGALVIEFHO-LBPRGKRZSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000878591806 725299117 /nfs/dbraw/zinc/29/91/17/725299117.db2.gz GLRLEGALVIEFHO-LBPRGKRZSA-N 1 2 254.374 1.426 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)ccc1C ZINC001038965377 724418719 /nfs/dbraw/zinc/41/87/19/724418719.db2.gz YTRRQGNZNYGQAR-AWEZNQCLSA-N 1 2 256.349 1.741 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)ccc1C ZINC001038965377 724418723 /nfs/dbraw/zinc/41/87/23/724418723.db2.gz YTRRQGNZNYGQAR-AWEZNQCLSA-N 1 2 256.349 1.741 20 30 CDEDLO C#Cc1cncc(C(=O)NC2C[NH+](C[C@H]3CC[C@@H](C)O3)C2)c1 ZINC001030928427 724423656 /nfs/dbraw/zinc/42/36/56/724423656.db2.gz SHAHDLDSHLISMN-MLGOLLRUSA-N 1 2 299.374 1.044 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn2ccc(C)cc12 ZINC001038358181 724429609 /nfs/dbraw/zinc/42/96/09/724429609.db2.gz AHNDYKBRFMRXTI-ZDUSSCGKSA-N 1 2 282.347 1.080 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn2ccc(C)cc12 ZINC001038358181 724429611 /nfs/dbraw/zinc/42/96/11/724429611.db2.gz AHNDYKBRFMRXTI-ZDUSSCGKSA-N 1 2 282.347 1.080 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001032528007 724440146 /nfs/dbraw/zinc/44/01/46/724440146.db2.gz AILULLJQWGVKIS-KKUMJFAQSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001032528007 724440151 /nfs/dbraw/zinc/44/01/51/724440151.db2.gz AILULLJQWGVKIS-KKUMJFAQSA-N 1 2 290.407 1.500 20 30 CDEDLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001029180601 723696307 /nfs/dbraw/zinc/69/63/07/723696307.db2.gz UNIIZLZHNOCQRI-GASCZTMLSA-N 1 2 287.338 1.892 20 30 CDEDLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001029180601 723696308 /nfs/dbraw/zinc/69/63/08/723696308.db2.gz UNIIZLZHNOCQRI-GASCZTMLSA-N 1 2 287.338 1.892 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccn(C)n2)C1 ZINC001027335064 723704792 /nfs/dbraw/zinc/70/47/92/723704792.db2.gz BEQMNFXHTDZAKC-TZMCWYRMSA-N 1 2 289.383 1.003 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC001027335064 723704795 /nfs/dbraw/zinc/70/47/95/723704795.db2.gz BEQMNFXHTDZAKC-TZMCWYRMSA-N 1 2 289.383 1.003 20 30 CDEDLO C=C[C@@H](C)ONC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000845634300 723705847 /nfs/dbraw/zinc/70/58/47/723705847.db2.gz KDEYBQKWSMNEQP-GFCCVEGCSA-N 1 2 288.351 1.991 20 30 CDEDLO C#CC[C@@H]1CC[N@@H+]([C@@H](C(=O)OC)c2cccnc2)C1 ZINC000886362837 723706225 /nfs/dbraw/zinc/70/62/25/723706225.db2.gz PJMQJKLDXQLJCM-TZMCWYRMSA-N 1 2 258.321 1.641 20 30 CDEDLO C#CC[C@@H]1CC[N@H+]([C@@H](C(=O)OC)c2cccnc2)C1 ZINC000886362837 723706226 /nfs/dbraw/zinc/70/62/26/723706226.db2.gz PJMQJKLDXQLJCM-TZMCWYRMSA-N 1 2 258.321 1.641 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001043091226 723709054 /nfs/dbraw/zinc/70/90/54/723709054.db2.gz HUXPOKGKXMVRMK-UHFFFAOYSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CCCN1CC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001043091226 723709055 /nfs/dbraw/zinc/70/90/55/723709055.db2.gz HUXPOKGKXMVRMK-UHFFFAOYSA-N 1 2 282.347 1.342 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC001031405687 723713274 /nfs/dbraw/zinc/71/32/74/723713274.db2.gz JFBBXAPGFOAMGD-UHFFFAOYSA-N 1 2 299.378 1.336 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(Cl)cc(OC)c2)C1 ZINC001031131222 723716912 /nfs/dbraw/zinc/71/69/12/723716912.db2.gz FQNLVPIBLKLJIQ-UHFFFAOYSA-N 1 2 292.766 1.786 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC001038649460 723724984 /nfs/dbraw/zinc/72/49/84/723724984.db2.gz HJCAUFKSAOFLHL-DZGCQCFKSA-N 1 2 254.333 1.150 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC001038649460 723724986 /nfs/dbraw/zinc/72/49/86/723724986.db2.gz HJCAUFKSAOFLHL-DZGCQCFKSA-N 1 2 254.333 1.150 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2nnn(C)c2C)C1 ZINC001032969795 723727724 /nfs/dbraw/zinc/72/77/24/723727724.db2.gz HOKZVYGKPWDQNP-NSHDSACASA-N 1 2 297.790 1.022 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2nnn(C)c2C)C1 ZINC001032969795 723727726 /nfs/dbraw/zinc/72/77/26/723727726.db2.gz HOKZVYGKPWDQNP-NSHDSACASA-N 1 2 297.790 1.022 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC1(F)F)CO2 ZINC001053839370 723728194 /nfs/dbraw/zinc/72/81/94/723728194.db2.gz CYLCLIMHLAQJLC-NEPJUHHUSA-N 1 2 298.333 1.015 20 30 CDEDLO CCCC1N=NC(=S)N1N=Cc1c[nH+]c(C)n1C ZINC000853346627 723747344 /nfs/dbraw/zinc/74/73/44/723747344.db2.gz HIPZCTCWSCXDEQ-UHFFFAOYSA-N 1 2 264.358 1.443 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)F)CO2 ZINC001053719146 723749063 /nfs/dbraw/zinc/74/90/63/723749063.db2.gz WZFXLCDRLGXOKB-LLVKDONJSA-N 1 2 270.348 1.270 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccsc2[nH]1 ZINC001032551371 723761274 /nfs/dbraw/zinc/76/12/74/723761274.db2.gz RVHUOMBCWXDLRM-RYUDHWBXSA-N 1 2 285.372 1.761 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccsc2[nH]1 ZINC001032551371 723761275 /nfs/dbraw/zinc/76/12/75/723761275.db2.gz RVHUOMBCWXDLRM-RYUDHWBXSA-N 1 2 285.372 1.761 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001044050642 723763248 /nfs/dbraw/zinc/76/32/48/723763248.db2.gz UAYUMLOBHFJRON-UHFFFAOYSA-N 1 2 297.362 1.210 20 30 CDEDLO C=C(C)CONC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000845597532 723767716 /nfs/dbraw/zinc/76/77/16/723767716.db2.gz CXKILSQCYRMLLZ-ZDUSSCGKSA-N 1 2 283.372 1.000 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC001007299948 723770019 /nfs/dbraw/zinc/77/00/19/723770019.db2.gz SIPJXWIPNMSJRL-UWVGGRQHSA-N 1 2 278.730 1.975 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC001007299948 723770020 /nfs/dbraw/zinc/77/00/20/723770020.db2.gz SIPJXWIPNMSJRL-UWVGGRQHSA-N 1 2 278.730 1.975 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(CC2CC2)c1 ZINC001038897053 723771402 /nfs/dbraw/zinc/77/14/02/723771402.db2.gz FHRIBVAIGFPBED-HNNXBMFYSA-N 1 2 286.379 1.121 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(CC2CC2)c1 ZINC001038897053 723771403 /nfs/dbraw/zinc/77/14/03/723771403.db2.gz FHRIBVAIGFPBED-HNNXBMFYSA-N 1 2 286.379 1.121 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(CC)n1 ZINC001017623245 723783009 /nfs/dbraw/zinc/78/30/09/723783009.db2.gz SFTMYTYMFVVWTI-IYBDPMFKSA-N 1 2 297.402 1.956 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(CC)n1 ZINC001017623245 723783011 /nfs/dbraw/zinc/78/30/11/723783011.db2.gz SFTMYTYMFVVWTI-IYBDPMFKSA-N 1 2 297.402 1.956 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cocc1C)CO2 ZINC001053893906 723792343 /nfs/dbraw/zinc/79/23/43/723792343.db2.gz BEQQGNANCDPMTJ-ZDUSSCGKSA-N 1 2 290.363 1.737 20 30 CDEDLO Cc1ccn(C[N@@H+]2CCC[C@@](C)(O)CC2)c(=O)c1C#N ZINC000794670939 723800108 /nfs/dbraw/zinc/80/01/08/723800108.db2.gz DJFFBJVQEHRNGS-OAHLLOKOSA-N 1 2 275.352 1.223 20 30 CDEDLO Cc1ccn(C[N@H+]2CCC[C@@](C)(O)CC2)c(=O)c1C#N ZINC000794670939 723800110 /nfs/dbraw/zinc/80/01/10/723800110.db2.gz DJFFBJVQEHRNGS-OAHLLOKOSA-N 1 2 275.352 1.223 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)[C@H]1CCCO1 ZINC000775795275 723816046 /nfs/dbraw/zinc/81/60/46/723816046.db2.gz MRXGBVORRAJHMF-HZPDHXFCSA-N 1 2 298.342 1.615 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1(C)CC1)CO2 ZINC001053810848 723825657 /nfs/dbraw/zinc/82/56/57/723825657.db2.gz DDQDMZJDJSECRC-GFCCVEGCSA-N 1 2 264.369 1.322 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC001050813095 723853100 /nfs/dbraw/zinc/85/31/00/723853100.db2.gz PKPCAFCIPRGSAY-GFCCVEGCSA-N 1 2 297.786 1.675 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC001050813095 723853102 /nfs/dbraw/zinc/85/31/02/723853102.db2.gz PKPCAFCIPRGSAY-GFCCVEGCSA-N 1 2 297.786 1.675 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(C)=O)C1 ZINC001033715443 723862242 /nfs/dbraw/zinc/86/22/42/723862242.db2.gz IUZYJDYMCSSLDZ-LLVKDONJSA-N 1 2 275.190 1.838 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(C)=O)C1 ZINC001033715443 723862245 /nfs/dbraw/zinc/86/22/45/723862245.db2.gz IUZYJDYMCSSLDZ-LLVKDONJSA-N 1 2 275.190 1.838 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(C)=O ZINC001032236103 723869206 /nfs/dbraw/zinc/86/92/06/723869206.db2.gz VPIBLEGUQXOERD-GJZGRUSLSA-N 1 2 285.347 1.372 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(C)=O ZINC001032236103 723869209 /nfs/dbraw/zinc/86/92/09/723869209.db2.gz VPIBLEGUQXOERD-GJZGRUSLSA-N 1 2 285.347 1.372 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ocnc1C ZINC001032561784 723869900 /nfs/dbraw/zinc/86/99/00/723869900.db2.gz BDTBETCDHKDXHR-STQMWFEESA-N 1 2 289.379 1.980 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ocnc1C ZINC001032561784 723869903 /nfs/dbraw/zinc/86/99/03/723869903.db2.gz BDTBETCDHKDXHR-STQMWFEESA-N 1 2 289.379 1.980 20 30 CDEDLO C=CC[NH2+][C@H]1CCN(C(=O)C(F)C(F)(F)F)[C@H]1C ZINC001074662037 723888629 /nfs/dbraw/zinc/88/86/29/723888629.db2.gz YVEFHRFDAXMFJX-XHNCKOQMSA-N 1 2 268.254 1.652 20 30 CDEDLO C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)[C@H]1C ZINC001074662037 723888634 /nfs/dbraw/zinc/88/86/34/723888634.db2.gz YVEFHRFDAXMFJX-XHNCKOQMSA-N 1 2 268.254 1.652 20 30 CDEDLO C[C@H]1CC[N@H+](Cn2nc(CC#N)n(C)c2=S)[C@H]1C ZINC000794632792 723920873 /nfs/dbraw/zinc/92/08/73/723920873.db2.gz SGEUKKTYRXHEBX-UWVGGRQHSA-N 1 2 265.386 1.705 20 30 CDEDLO C[C@H]1CC[N@@H+](Cn2nc(CC#N)n(C)c2=S)[C@H]1C ZINC000794632792 723920879 /nfs/dbraw/zinc/92/08/79/723920879.db2.gz SGEUKKTYRXHEBX-UWVGGRQHSA-N 1 2 265.386 1.705 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C)ncc1Cl ZINC001032665365 724013371 /nfs/dbraw/zinc/01/33/71/724013371.db2.gz RSMFWXHXNPRIHC-QWRGUYRKSA-N 1 2 292.770 1.523 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C)ncc1Cl ZINC001032665365 724013373 /nfs/dbraw/zinc/01/33/73/724013373.db2.gz RSMFWXHXNPRIHC-QWRGUYRKSA-N 1 2 292.770 1.523 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001038794087 724015810 /nfs/dbraw/zinc/01/58/10/724015810.db2.gz SFFCGJWBPDVGQO-ILXRZTDVSA-N 1 2 276.380 1.181 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001038794087 724015811 /nfs/dbraw/zinc/01/58/11/724015811.db2.gz SFFCGJWBPDVGQO-ILXRZTDVSA-N 1 2 276.380 1.181 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2scnc2C2CC2)CC1 ZINC000089781853 724059795 /nfs/dbraw/zinc/05/97/95/724059795.db2.gz HIARCGPCDUSTPN-UHFFFAOYSA-N 1 2 289.404 1.802 20 30 CDEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cn[nH]c1)CC2 ZINC001035658010 724050828 /nfs/dbraw/zinc/05/08/28/724050828.db2.gz LCLCRCRAQMUMLC-UHFFFAOYSA-N 1 2 294.786 1.700 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886793197 724129711 /nfs/dbraw/zinc/12/97/11/724129711.db2.gz DBIHJXJPWXBVAV-WDEREUQCSA-N 1 2 275.274 1.677 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886793197 724129714 /nfs/dbraw/zinc/12/97/14/724129714.db2.gz DBIHJXJPWXBVAV-WDEREUQCSA-N 1 2 275.274 1.677 20 30 CDEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@H](O)CC#N ZINC000809575901 724152173 /nfs/dbraw/zinc/15/21/73/724152173.db2.gz FUFJAJKSJNIISA-DOMZBBRYSA-N 1 2 284.363 1.985 20 30 CDEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@H](O)CC#N ZINC000809575901 724152186 /nfs/dbraw/zinc/15/21/86/724152186.db2.gz FUFJAJKSJNIISA-DOMZBBRYSA-N 1 2 284.363 1.985 20 30 CDEDLO N#CC1CC[NH+](CN2C(=O)[C@H](C3CC3)[C@@H]2C2CC2)CC1 ZINC000839979387 724210785 /nfs/dbraw/zinc/21/07/85/724210785.db2.gz KUTIXQBNCXMZMN-CABCVRRESA-N 1 2 273.380 1.826 20 30 CDEDLO COCc1cc(C[NH2+]Cc2ccc(OC)c(C#N)c2)no1 ZINC000883073427 724294685 /nfs/dbraw/zinc/29/46/85/724294685.db2.gz PPSRKEMFHYSBMG-UHFFFAOYSA-N 1 2 287.319 1.991 20 30 CDEDLO Cc1nc(N[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)cc[nH+]1 ZINC001056612426 724335628 /nfs/dbraw/zinc/33/56/28/724335628.db2.gz IPVFTFDJMOLJAS-GFCCVEGCSA-N 1 2 296.334 1.311 20 30 CDEDLO CC[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cccc(C#N)c1O ZINC000925103235 724345369 /nfs/dbraw/zinc/34/53/69/724345369.db2.gz HRIBXMMBQOWBRQ-GXTWGEPZSA-N 1 2 287.363 1.925 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc([C@@H](C)CC)no2)C1 ZINC001015811598 724445074 /nfs/dbraw/zinc/44/50/74/724445074.db2.gz JFQZLZPMQXOPPC-NWDGAFQWSA-N 1 2 275.352 1.625 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc([C@@H](C)CC)no2)C1 ZINC001015811598 724445078 /nfs/dbraw/zinc/44/50/78/724445078.db2.gz JFQZLZPMQXOPPC-NWDGAFQWSA-N 1 2 275.352 1.625 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)c3ccn[nH]3)C2)C1 ZINC001072497486 724463187 /nfs/dbraw/zinc/46/31/87/724463187.db2.gz DWWVSRVLQOPCOE-UHFFFAOYSA-N 1 2 280.759 1.310 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)c3ccn[nH]3)C2)C1 ZINC001072497486 724463182 /nfs/dbraw/zinc/46/31/82/724463182.db2.gz DWWVSRVLQOPCOE-UHFFFAOYSA-N 1 2 280.759 1.310 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC001054034258 724520741 /nfs/dbraw/zinc/52/07/41/724520741.db2.gz LJEUEBHFBJINSV-DLBZAZTESA-N 1 2 298.386 1.199 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC001054034258 724520745 /nfs/dbraw/zinc/52/07/45/724520745.db2.gz LJEUEBHFBJINSV-DLBZAZTESA-N 1 2 298.386 1.199 20 30 CDEDLO CC(C)O[C@@H]1CC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000842610928 724574727 /nfs/dbraw/zinc/57/47/27/724574727.db2.gz TYHCTBJCMKOEMS-CYBMUJFWSA-N 1 2 261.325 1.177 20 30 CDEDLO CC(C)O[C@@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000842610928 724574731 /nfs/dbraw/zinc/57/47/31/724574731.db2.gz TYHCTBJCMKOEMS-CYBMUJFWSA-N 1 2 261.325 1.177 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccn2C)C1 ZINC001010245569 724576779 /nfs/dbraw/zinc/57/67/79/724576779.db2.gz WBXYLEUQZVZCSP-LLVKDONJSA-N 1 2 267.760 1.582 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccn2C)C1 ZINC001010245569 724576783 /nfs/dbraw/zinc/57/67/83/724576783.db2.gz WBXYLEUQZVZCSP-LLVKDONJSA-N 1 2 267.760 1.582 20 30 CDEDLO COC(=O)c1ccc(OC)c(C[NH2+][C@H](C)CC#N)c1 ZINC000878820123 724598466 /nfs/dbraw/zinc/59/84/66/724598466.db2.gz HNVXAIAPCCYIDO-SNVBAGLBSA-N 1 2 262.309 1.874 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c(CC)nn(C)c2Cl)C1 ZINC001031214643 724599388 /nfs/dbraw/zinc/59/93/88/724599388.db2.gz LQIGSQMNSAOYIH-UHFFFAOYSA-N 1 2 294.786 1.073 20 30 CDEDLO C=CC[N@H+]1CC[C@@H](NC(=O)c2[nH]nc(C3CC3)c2Cl)C1 ZINC001015094983 724606498 /nfs/dbraw/zinc/60/64/98/724606498.db2.gz VNPVKYMVCZCBHU-SNVBAGLBSA-N 1 2 294.786 1.931 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc(C3CC3)c2Cl)C1 ZINC001015094983 724606500 /nfs/dbraw/zinc/60/65/00/724606500.db2.gz VNPVKYMVCZCBHU-SNVBAGLBSA-N 1 2 294.786 1.931 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc[nH]c1C1CCC1 ZINC001038701540 724606880 /nfs/dbraw/zinc/60/68/80/724606880.db2.gz APOHZLIACOLPLE-CYBMUJFWSA-N 1 2 271.364 1.720 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc[nH]c1C1CCC1 ZINC001038701540 724606884 /nfs/dbraw/zinc/60/68/84/724606884.db2.gz APOHZLIACOLPLE-CYBMUJFWSA-N 1 2 271.364 1.720 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cn2ccc(C(F)F)n2)C1 ZINC001042876554 724632093 /nfs/dbraw/zinc/63/20/93/724632093.db2.gz FEPZGNSPPMGNGY-UHFFFAOYSA-N 1 2 298.337 1.539 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCc3ccccc3O2)C1 ZINC001031122113 724632374 /nfs/dbraw/zinc/63/23/74/724632374.db2.gz XMWRHGLNVPUUGG-MRXNPFEDSA-N 1 2 286.375 1.757 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)CC)C1 ZINC001032845078 724647882 /nfs/dbraw/zinc/64/78/82/724647882.db2.gz JKTIHFIDUBMSOW-SNVBAGLBSA-N 1 2 275.190 1.838 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)CC)C1 ZINC001032845078 724647885 /nfs/dbraw/zinc/64/78/85/724647885.db2.gz JKTIHFIDUBMSOW-SNVBAGLBSA-N 1 2 275.190 1.838 20 30 CDEDLO Cn1c[nH+]c(CCNC(=O)Nc2cccc(CC#N)n2)c1 ZINC000881143554 724652685 /nfs/dbraw/zinc/65/26/85/724652685.db2.gz BFOCQPZWSGNKRL-UHFFFAOYSA-N 1 2 284.323 1.245 20 30 CDEDLO CC(C)C[N@H+](CCC#N)C[C@H]1CCCS(=O)(=O)C1 ZINC000792867308 724657762 /nfs/dbraw/zinc/65/77/62/724657762.db2.gz OYHBEIGAEMHTRO-CYBMUJFWSA-N 1 2 272.414 1.683 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)C[C@H]1CCCS(=O)(=O)C1 ZINC000792867308 724657766 /nfs/dbraw/zinc/65/77/66/724657766.db2.gz OYHBEIGAEMHTRO-CYBMUJFWSA-N 1 2 272.414 1.683 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC12CCCCC2 ZINC000884317111 724705097 /nfs/dbraw/zinc/70/50/97/724705097.db2.gz LNJTZTXYBSGBGS-NWDGAFQWSA-N 1 2 280.368 1.272 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@H]1C)O2 ZINC001053642937 724728350 /nfs/dbraw/zinc/72/83/50/724728350.db2.gz PLNWQRBDBWTQIO-MGPQQGTHSA-N 1 2 278.396 1.568 20 30 CDEDLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1CCOc1ccc(C#N)cc1 ZINC000930833603 724731698 /nfs/dbraw/zinc/73/16/98/724731698.db2.gz PKEUCAJGJTZXAS-YNEHKIRRSA-N 1 2 287.363 1.534 20 30 CDEDLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000930833603 724731700 /nfs/dbraw/zinc/73/17/00/724731700.db2.gz PKEUCAJGJTZXAS-YNEHKIRRSA-N 1 2 287.363 1.534 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnn(CC)c2C2CC2)C1 ZINC001031232190 724763116 /nfs/dbraw/zinc/76/31/16/724763116.db2.gz FXFOQYGHLDLLMK-UHFFFAOYSA-N 1 2 286.379 1.218 20 30 CDEDLO Cc1nc(C#N)cc(N[C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000882130259 724766783 /nfs/dbraw/zinc/76/67/83/724766783.db2.gz RZMSUHFFUKYCNB-LBPRGKRZSA-N 1 2 280.335 1.743 20 30 CDEDLO COCC#CCOC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000811326524 724792768 /nfs/dbraw/zinc/79/27/68/724792768.db2.gz PWTAUXWISBWNNB-UHFFFAOYSA-N 1 2 298.342 1.667 20 30 CDEDLO C=CC[N@H+](CN1CC2(CC1=O)CCOCC2)[C@@H](C)COC ZINC000853535202 724804174 /nfs/dbraw/zinc/80/41/74/724804174.db2.gz QUSUNYDCJCBLDG-AWEZNQCLSA-N 1 2 296.411 1.496 20 30 CDEDLO C=CC[N@@H+](CN1CC2(CC1=O)CCOCC2)[C@@H](C)COC ZINC000853535202 724804176 /nfs/dbraw/zinc/80/41/76/724804176.db2.gz QUSUNYDCJCBLDG-AWEZNQCLSA-N 1 2 296.411 1.496 20 30 CDEDLO C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)(C)C ZINC000854480192 724803589 /nfs/dbraw/zinc/80/35/89/724803589.db2.gz SPNVJBXASTUIIE-WZRBSPASSA-N 1 2 259.353 1.688 20 30 CDEDLO Cc1nc(N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)cc[nH+]1 ZINC001040611277 724816322 /nfs/dbraw/zinc/81/63/22/724816322.db2.gz UVDUEVHTOKXZEW-LSDHHAIUSA-N 1 2 296.374 1.236 20 30 CDEDLO C=C1CCC(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000890296967 725237491 /nfs/dbraw/zinc/23/74/91/725237491.db2.gz BXUSSEBSRXNDFI-CQSZACIVSA-N 1 2 280.412 1.912 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)ns2)CC[C@H]1C ZINC001071519160 723718820 /nfs/dbraw/zinc/71/88/20/723718820.db2.gz VYFSFVDRHHINTA-MNOVXSKESA-N 1 2 293.392 1.368 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(OC)ns2)CC[C@H]1C ZINC001071519160 723718821 /nfs/dbraw/zinc/71/88/21/723718821.db2.gz VYFSFVDRHHINTA-MNOVXSKESA-N 1 2 293.392 1.368 20 30 CDEDLO O=C(C#Cc1ccccc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779213508 723723987 /nfs/dbraw/zinc/72/39/87/723723987.db2.gz KSOJTOZAKRPXET-CQSZACIVSA-N 1 2 265.316 1.366 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]nc(C)c1C ZINC001027797681 723724098 /nfs/dbraw/zinc/72/40/98/723724098.db2.gz SJQUBLDAPZXBHU-ZDUSSCGKSA-N 1 2 274.368 1.244 20 30 CDEDLO CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1[nH]nc(C)c1C ZINC001027797681 723724100 /nfs/dbraw/zinc/72/41/00/723724100.db2.gz SJQUBLDAPZXBHU-ZDUSSCGKSA-N 1 2 274.368 1.244 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@H](C)C1 ZINC000884329572 723726767 /nfs/dbraw/zinc/72/67/67/723726767.db2.gz PXWOBJVZLQDTHZ-RYUDHWBXSA-N 1 2 268.357 1.082 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cn[nH]c1 ZINC001024344731 723734544 /nfs/dbraw/zinc/73/45/44/723734544.db2.gz IURGCMJVQQWJJM-LBPRGKRZSA-N 1 2 282.775 1.747 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cn[nH]c1 ZINC001024344731 723734545 /nfs/dbraw/zinc/73/45/45/723734545.db2.gz IURGCMJVQQWJJM-LBPRGKRZSA-N 1 2 282.775 1.747 20 30 CDEDLO C=C(C)CCn1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000883991014 723749201 /nfs/dbraw/zinc/74/92/01/723749201.db2.gz ONYNDLOLTUFBQH-UHFFFAOYSA-N 1 2 250.346 1.201 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2cc(CCC)on2)C1 ZINC001031182962 723757285 /nfs/dbraw/zinc/75/72/85/723757285.db2.gz HJPHZPLKRYYNPJ-UHFFFAOYSA-N 1 2 263.341 1.617 20 30 CDEDLO CC#CC[C@H](CO)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000826823034 723767990 /nfs/dbraw/zinc/76/79/90/723767990.db2.gz PVBPOTRSZCHFMM-LLVKDONJSA-N 1 2 287.367 1.768 20 30 CDEDLO C#CCCCCC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000790134828 723771969 /nfs/dbraw/zinc/77/19/69/723771969.db2.gz CPQGUJUBLXBNMA-CQSZACIVSA-N 1 2 266.385 1.359 20 30 CDEDLO C#CC[C@H]1CCN(c2cc(NC[C@H](C)O)[nH+]cn2)C1 ZINC000884594204 723797936 /nfs/dbraw/zinc/79/79/36/723797936.db2.gz BWMBCANLHISJPR-RYUDHWBXSA-N 1 2 260.341 1.119 20 30 CDEDLO C#CC[C@H]1CCN(c2cc(NC[C@H](C)O)nc[nH+]2)C1 ZINC000884594204 723797940 /nfs/dbraw/zinc/79/79/40/723797940.db2.gz BWMBCANLHISJPR-RYUDHWBXSA-N 1 2 260.341 1.119 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)nn(C)c1Cl ZINC001038568885 723838585 /nfs/dbraw/zinc/83/85/85/723838585.db2.gz ZINHSCCBXFQSBA-NSHDSACASA-N 1 2 294.786 1.209 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)nn(C)c1Cl ZINC001038568885 723838587 /nfs/dbraw/zinc/83/85/87/723838587.db2.gz ZINHSCCBXFQSBA-NSHDSACASA-N 1 2 294.786 1.209 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2cc(-c3ccco3)on2)C1 ZINC001030761980 723856999 /nfs/dbraw/zinc/85/69/99/723856999.db2.gz QUHKIGNVQALPCD-UHFFFAOYSA-N 1 2 287.319 1.925 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cncnc2C(C)C)C1 ZINC001044304376 723896246 /nfs/dbraw/zinc/89/62/46/723896246.db2.gz KZVFHSWOHYZRFV-UHFFFAOYSA-N 1 2 288.395 1.932 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCOC2)C1 ZINC001032967493 723912969 /nfs/dbraw/zinc/91/29/69/723912969.db2.gz MPMTUGAUCZYRQI-OLZOCXBDSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCOC2)C1 ZINC001032967493 723912979 /nfs/dbraw/zinc/91/29/79/723912979.db2.gz MPMTUGAUCZYRQI-OLZOCXBDSA-N 1 2 286.803 1.698 20 30 CDEDLO C#C[C@H]([NH2+]Cc1nccc(OC)c1OC)[C@H]1CCCO1 ZINC000789385530 723964591 /nfs/dbraw/zinc/96/45/91/723964591.db2.gz ATCRUUZRUBMQBT-WCQYABFASA-N 1 2 276.336 1.369 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc(-c3ncon3)c2)C1 ZINC001030940909 724042420 /nfs/dbraw/zinc/04/24/20/724042420.db2.gz LIJRKSQTRXEAFL-UHFFFAOYSA-N 1 2 298.346 1.727 20 30 CDEDLO COc1cccc2c1CC[N@H+](CC(=O)NCCC#N)C2 ZINC000782527834 724050135 /nfs/dbraw/zinc/05/01/35/724050135.db2.gz VSOSPJLYZGIEGH-UHFFFAOYSA-N 1 2 273.336 1.083 20 30 CDEDLO COc1cccc2c1CC[N@@H+](CC(=O)NCCC#N)C2 ZINC000782527834 724050136 /nfs/dbraw/zinc/05/01/36/724050136.db2.gz VSOSPJLYZGIEGH-UHFFFAOYSA-N 1 2 273.336 1.083 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)cncc1C ZINC001038514438 724089742 /nfs/dbraw/zinc/08/97/42/724089742.db2.gz XLMMZVCRABUXAD-ZDUSSCGKSA-N 1 2 257.337 1.136 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)cncc1C ZINC001038514438 724089744 /nfs/dbraw/zinc/08/97/44/724089744.db2.gz XLMMZVCRABUXAD-ZDUSSCGKSA-N 1 2 257.337 1.136 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cncn2C)CC[C@@H]1C ZINC001071655502 724114337 /nfs/dbraw/zinc/11/43/37/724114337.db2.gz NEBLHXNARLMBTP-NWDGAFQWSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cncn2C)CC[C@@H]1C ZINC001071655502 724114338 /nfs/dbraw/zinc/11/43/38/724114338.db2.gz NEBLHXNARLMBTP-NWDGAFQWSA-N 1 2 296.802 1.755 20 30 CDEDLO Cc1ccc(N2CC[NH+](Cc3cccnc3)CC2)c(C#N)n1 ZINC000881782585 724167063 /nfs/dbraw/zinc/16/70/63/724167063.db2.gz FJCXUHOBMRDVHT-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO Cc1ncsc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N ZINC001032319148 724180935 /nfs/dbraw/zinc/18/09/35/724180935.db2.gz KUIYPBRTUNHPRV-USWWRNFRSA-N 1 2 290.392 1.396 20 30 CDEDLO Cc1ncsc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N ZINC001032319148 724180936 /nfs/dbraw/zinc/18/09/36/724180936.db2.gz KUIYPBRTUNHPRV-USWWRNFRSA-N 1 2 290.392 1.396 20 30 CDEDLO Cc1nc(N[C@H]2CCN(C(=O)C#CC3CC3)[C@@H](C)C2)cc[nH+]1 ZINC001064770544 724227295 /nfs/dbraw/zinc/22/72/95/724227295.db2.gz SZFGIUQRTXBGMH-WFASDCNBSA-N 1 2 298.390 1.990 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccn(CC)n2)C1 ZINC001033471617 724358547 /nfs/dbraw/zinc/35/85/47/724358547.db2.gz MFBHXWKUQSEDRX-GFCCVEGCSA-N 1 2 296.802 1.802 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(CC)n2)C1 ZINC001033471617 724358548 /nfs/dbraw/zinc/35/85/48/724358548.db2.gz MFBHXWKUQSEDRX-GFCCVEGCSA-N 1 2 296.802 1.802 20 30 CDEDLO Cc1nc(NC[C@@H]2C[C@H](C)N(C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001068324486 725050499 /nfs/dbraw/zinc/05/04/99/725050499.db2.gz VLGDVZWHBMHJHT-WFASDCNBSA-N 1 2 298.390 1.847 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3[nH]c(C)nc32)C1 ZINC001031204009 725054342 /nfs/dbraw/zinc/05/43/42/725054342.db2.gz MSWQNZPJQQQVHI-UHFFFAOYSA-N 1 2 282.347 1.309 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2conc2CC)CC1 ZINC000825077602 725057300 /nfs/dbraw/zinc/05/73/00/725057300.db2.gz CBSCZPJZUJMPMC-UHFFFAOYSA-N 1 2 261.325 1.018 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC000923556863 725088849 /nfs/dbraw/zinc/08/88/49/725088849.db2.gz YPBJDPVKJZBIKS-SNVBAGLBSA-N 1 2 266.341 1.715 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC000923556863 725088852 /nfs/dbraw/zinc/08/88/52/725088852.db2.gz YPBJDPVKJZBIKS-SNVBAGLBSA-N 1 2 266.341 1.715 20 30 CDEDLO C#CC1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000842636685 725116409 /nfs/dbraw/zinc/11/64/09/725116409.db2.gz LLSXTRPIPDAAQH-UHFFFAOYSA-N 1 2 281.359 1.511 20 30 CDEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1=S ZINC000794717389 725126628 /nfs/dbraw/zinc/12/66/28/725126628.db2.gz ZRCWKXNDIKWJHP-ZDUSSCGKSA-N 1 2 295.412 1.063 20 30 CDEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@](C)(C(N)=O)C2)c1=S ZINC000794717389 725126632 /nfs/dbraw/zinc/12/66/32/725126632.db2.gz ZRCWKXNDIKWJHP-ZDUSSCGKSA-N 1 2 295.412 1.063 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000933899077 725146849 /nfs/dbraw/zinc/14/68/49/725146849.db2.gz LEJGSLVUDGQPNB-CQSZACIVSA-N 1 2 258.321 1.896 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1C1OCCO1 ZINC000933899077 725146852 /nfs/dbraw/zinc/14/68/52/725146852.db2.gz LEJGSLVUDGQPNB-CQSZACIVSA-N 1 2 258.321 1.896 20 30 CDEDLO C#C[C@H](CCC)NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000820667397 725149151 /nfs/dbraw/zinc/14/91/51/725149151.db2.gz VQMALLUSKZMGJX-MGPQQGTHSA-N 1 2 281.400 1.197 20 30 CDEDLO C#C[C@H](CCC)NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000820667397 725149152 /nfs/dbraw/zinc/14/91/52/725149152.db2.gz VQMALLUSKZMGJX-MGPQQGTHSA-N 1 2 281.400 1.197 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C(C)C)nn1 ZINC001018116998 725183534 /nfs/dbraw/zinc/18/35/34/725183534.db2.gz QMDOYQFXLMZLHY-BETUJISGSA-N 1 2 289.383 1.334 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C(C)C)nn1 ZINC001018116998 725183537 /nfs/dbraw/zinc/18/35/37/725183537.db2.gz QMDOYQFXLMZLHY-BETUJISGSA-N 1 2 289.383 1.334 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2ccon2)CC1 ZINC001000463658 725193380 /nfs/dbraw/zinc/19/33/80/725193380.db2.gz SCAXLMLSURBZKX-UHFFFAOYSA-N 1 2 281.743 1.789 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2ccon2)CC1 ZINC001000463658 725193381 /nfs/dbraw/zinc/19/33/81/725193381.db2.gz SCAXLMLSURBZKX-UHFFFAOYSA-N 1 2 281.743 1.789 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2c(C)onc2CC)C1 ZINC000923592202 725207502 /nfs/dbraw/zinc/20/75/02/725207502.db2.gz RBJMTLANDRFPRD-LBPRGKRZSA-N 1 2 275.352 1.373 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2c(C)onc2CC)C1 ZINC000923592202 725207504 /nfs/dbraw/zinc/20/75/04/725207504.db2.gz RBJMTLANDRFPRD-LBPRGKRZSA-N 1 2 275.352 1.373 20 30 CDEDLO COc1ccc(C2=NO[C@H](C[NH2+]CCC#N)C2)cc1F ZINC000819292256 725210067 /nfs/dbraw/zinc/21/00/67/725210067.db2.gz HLEXUFIVGNFSED-NSHDSACASA-N 1 2 277.299 1.831 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)n([C@H](C)CC)n2)C1 ZINC001030584580 725219189 /nfs/dbraw/zinc/21/91/89/725219189.db2.gz YVCNLYNWTOTGBZ-GFCCVEGCSA-N 1 2 288.395 1.600 20 30 CDEDLO C=C(C)C[C@@H](CO)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000882891778 725232891 /nfs/dbraw/zinc/23/28/91/725232891.db2.gz DTSKVSHOYJWQQV-INIZCTEOSA-N 1 2 299.374 1.988 20 30 CDEDLO CN(C)c1ncc(C=[NH+]Nc2ccnc(F)c2)n1C ZINC000811647264 725247809 /nfs/dbraw/zinc/24/78/09/725247809.db2.gz CRUQDZIBZCWLCN-UHFFFAOYSA-N 1 2 262.292 1.466 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCOC3)cc2C1 ZINC001054257886 725251672 /nfs/dbraw/zinc/25/16/72/725251672.db2.gz CBIWDRXVXPAMCX-MRXNPFEDSA-N 1 2 298.386 1.678 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCOC3)cc2C1 ZINC001054257886 725251673 /nfs/dbraw/zinc/25/16/73/725251673.db2.gz CBIWDRXVXPAMCX-MRXNPFEDSA-N 1 2 298.386 1.678 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[C@@H]1C)CCO2 ZINC001053141338 725285645 /nfs/dbraw/zinc/28/56/45/725285645.db2.gz SQVMDAADKHDLSF-STQMWFEESA-N 1 2 264.369 1.132 20 30 CDEDLO C=CC(C)(C)CC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000878926181 725288019 /nfs/dbraw/zinc/28/80/19/725288019.db2.gz FLSCINLJZWRVAO-UHFFFAOYSA-N 1 2 291.399 1.025 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccccc2OC)C1 ZINC001044220824 725289191 /nfs/dbraw/zinc/28/91/91/725289191.db2.gz GIIBZJHXRYLFLL-UHFFFAOYSA-N 1 2 272.348 1.475 20 30 CDEDLO N#CCc1ccccc1CC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779097817 725291772 /nfs/dbraw/zinc/29/17/72/725291772.db2.gz XRVRHWYTZBVZLK-OAHLLOKOSA-N 1 2 294.358 1.623 20 30 CDEDLO C#CCCOc1ccc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)cc1 ZINC000249390955 725313118 /nfs/dbraw/zinc/31/31/18/725313118.db2.gz RXWNYMBRUSYWMH-PBHICJAKSA-N 1 2 289.375 1.670 20 30 CDEDLO C#CCCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)cc1 ZINC000249390955 725313122 /nfs/dbraw/zinc/31/31/22/725313122.db2.gz RXWNYMBRUSYWMH-PBHICJAKSA-N 1 2 289.375 1.670 20 30 CDEDLO C#CCCCC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928650871 725322564 /nfs/dbraw/zinc/32/25/64/725322564.db2.gz NMRPZQIUICNTGL-CYBMUJFWSA-N 1 2 252.358 1.017 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2ccn(C)n2)CC1 ZINC001001446772 725327967 /nfs/dbraw/zinc/32/79/67/725327967.db2.gz VNCBNNUXTPAEKH-UHFFFAOYSA-N 1 2 294.786 1.535 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2ccn(C)n2)CC1 ZINC001001446772 725327969 /nfs/dbraw/zinc/32/79/69/725327969.db2.gz VNCBNNUXTPAEKH-UHFFFAOYSA-N 1 2 294.786 1.535 20 30 CDEDLO C#C[C@H]([NH2+][C@@H](C)c1nnnn1-c1ccccc1)[C@@H]1CCCO1 ZINC000775793685 725341484 /nfs/dbraw/zinc/34/14/84/725341484.db2.gz MRUOSELBXHYIAD-QEJZJMRPSA-N 1 2 297.362 1.494 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2nnc[nH]2)C1 ZINC001025561616 725342868 /nfs/dbraw/zinc/34/28/68/725342868.db2.gz MMLJXSXWZADCGO-WDEREUQCSA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2nnc[nH]2)C1 ZINC001025561616 725342871 /nfs/dbraw/zinc/34/28/71/725342871.db2.gz MMLJXSXWZADCGO-WDEREUQCSA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ncn[nH]2)C1 ZINC001025561616 725342873 /nfs/dbraw/zinc/34/28/73/725342873.db2.gz MMLJXSXWZADCGO-WDEREUQCSA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ncn[nH]2)C1 ZINC001025561616 725342875 /nfs/dbraw/zinc/34/28/75/725342875.db2.gz MMLJXSXWZADCGO-WDEREUQCSA-N 1 2 297.790 1.388 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2onc3c2CCCC3)C1 ZINC000923560030 725360655 /nfs/dbraw/zinc/36/06/55/725360655.db2.gz XSMRLNDEMLPJKE-GFCCVEGCSA-N 1 2 287.363 1.381 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2onc3c2CCCC3)C1 ZINC000923560030 725360656 /nfs/dbraw/zinc/36/06/56/725360656.db2.gz XSMRLNDEMLPJKE-GFCCVEGCSA-N 1 2 287.363 1.381 20 30 CDEDLO C=C(CNC(=O)/C=C/C[NH+]1CCOCC1)c1ccccc1 ZINC000868346945 725364174 /nfs/dbraw/zinc/36/41/74/725364174.db2.gz JAHUDVRKQQRINT-VMPITWQZSA-N 1 2 286.375 1.704 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccnc2N2CCCC2)C1 ZINC001030622664 725382646 /nfs/dbraw/zinc/38/26/46/725382646.db2.gz FNCXPZWLMNVDLW-UHFFFAOYSA-N 1 2 298.390 1.119 20 30 CDEDLO Cn1ncc(C[NH2+]Cc2ccc(OCC#N)cc2)n1 ZINC000389812100 725384484 /nfs/dbraw/zinc/38/44/84/725384484.db2.gz HZIPVDCDHAPFFF-UHFFFAOYSA-N 1 2 257.297 1.007 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2snnc2C)[C@@H]1C ZINC000993054899 725391573 /nfs/dbraw/zinc/39/15/73/725391573.db2.gz ZMBKYZRYLFJEBL-NWDGAFQWSA-N 1 2 292.408 1.453 20 30 CDEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2snnc2C)[C@@H]1C ZINC000993054899 725391575 /nfs/dbraw/zinc/39/15/75/725391575.db2.gz ZMBKYZRYLFJEBL-NWDGAFQWSA-N 1 2 292.408 1.453 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1C[C@@H](C)C[C@H](C)C1 ZINC000884401191 725392559 /nfs/dbraw/zinc/39/25/59/725392559.db2.gz HIOWWJVHVSMDCT-OBJOEFQTSA-N 1 2 296.411 1.622 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)C=C)C[C@H]21 ZINC001074312546 725396733 /nfs/dbraw/zinc/39/67/33/725396733.db2.gz OUPJWYOXQSWVKI-CABCVRRESA-N 1 2 290.407 1.524 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)C=C)C[C@H]21 ZINC001074312546 725396735 /nfs/dbraw/zinc/39/67/35/725396735.db2.gz OUPJWYOXQSWVKI-CABCVRRESA-N 1 2 290.407 1.524 20 30 CDEDLO CC#CCN1CC(N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001043063460 725406629 /nfs/dbraw/zinc/40/66/29/725406629.db2.gz QANRNMQSQQYKAB-UHFFFAOYSA-N 1 2 288.395 1.093 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)N1CCC[C@H](CC#N)C1 ZINC000852342026 725408037 /nfs/dbraw/zinc/40/80/37/725408037.db2.gz CULKYRQXGMLPPG-LLVKDONJSA-N 1 2 261.329 1.255 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]c(C)nc2c1 ZINC001038870551 725408748 /nfs/dbraw/zinc/40/87/48/725408748.db2.gz ZRGRTUDOKHSFHV-CYBMUJFWSA-N 1 2 282.347 1.309 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]c(C)nc2c1 ZINC001038870551 725408749 /nfs/dbraw/zinc/40/87/49/725408749.db2.gz ZRGRTUDOKHSFHV-CYBMUJFWSA-N 1 2 282.347 1.309 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)c(F)c1 ZINC001038738371 725410105 /nfs/dbraw/zinc/41/01/05/725410105.db2.gz AYHPYNSZPQSBHE-LLVKDONJSA-N 1 2 280.730 1.916 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)c(F)c1 ZINC001038738371 725410106 /nfs/dbraw/zinc/41/01/06/725410106.db2.gz AYHPYNSZPQSBHE-LLVKDONJSA-N 1 2 280.730 1.916 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCOCC1 ZINC001018071222 725410909 /nfs/dbraw/zinc/41/09/09/725410909.db2.gz QPTYDBABAJALAE-OKILXGFUSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCOCC1 ZINC001018071222 725410910 /nfs/dbraw/zinc/41/09/10/725410910.db2.gz QPTYDBABAJALAE-OKILXGFUSA-N 1 2 276.380 1.112 20 30 CDEDLO CC(C)CN(CCC#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000824234136 725412671 /nfs/dbraw/zinc/41/26/71/725412671.db2.gz DYJBFNBQLQZLAR-CHWSQXEVSA-N 1 2 274.368 1.922 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2csnc2C)C1 ZINC001042633565 725413330 /nfs/dbraw/zinc/41/33/30/725413330.db2.gz AHBQJODQRLDJRR-UHFFFAOYSA-N 1 2 263.366 1.231 20 30 CDEDLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000778253141 725415455 /nfs/dbraw/zinc/41/54/55/725415455.db2.gz OQGWXMLIUQHXHD-LBPRGKRZSA-N 1 2 273.336 1.251 20 30 CDEDLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000778253141 725415456 /nfs/dbraw/zinc/41/54/56/725415456.db2.gz OQGWXMLIUQHXHD-LBPRGKRZSA-N 1 2 273.336 1.251 20 30 CDEDLO CCc1ccccc1NC(=O)[C@@H](C)O[NH+]=C(N)CCO ZINC000121392438 725418778 /nfs/dbraw/zinc/41/87/78/725418778.db2.gz MNGPHSOXYHTYTP-SNVBAGLBSA-N 1 2 279.340 1.247 20 30 CDEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cocn1)CC2 ZINC001035667748 725432931 /nfs/dbraw/zinc/43/29/31/725432931.db2.gz NMXOFSLMFGHSPB-UHFFFAOYSA-N 1 2 295.770 1.965 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)nn(C)c2C)C1 ZINC001015448961 725444562 /nfs/dbraw/zinc/44/45/62/725444562.db2.gz KORRUYMAUPPLIS-LBPRGKRZSA-N 1 2 296.802 1.594 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)nn(C)c2C)C1 ZINC001015448961 725444564 /nfs/dbraw/zinc/44/45/64/725444564.db2.gz KORRUYMAUPPLIS-LBPRGKRZSA-N 1 2 296.802 1.594 20 30 CDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cccnn2)CC1 ZINC001004574780 725453805 /nfs/dbraw/zinc/45/38/05/725453805.db2.gz DMXXBASRVKYLLT-OAHLLOKOSA-N 1 2 299.378 1.317 20 30 CDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cccnn2)CC1 ZINC001004574780 725453807 /nfs/dbraw/zinc/45/38/07/725453807.db2.gz DMXXBASRVKYLLT-OAHLLOKOSA-N 1 2 299.378 1.317 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH]c2ncccc12 ZINC001032807810 725482187 /nfs/dbraw/zinc/48/21/87/725482187.db2.gz YWQIRGNFIDRIBE-KBPBESRZSA-N 1 2 294.358 1.024 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH]c2ncccc12 ZINC001032807810 725482197 /nfs/dbraw/zinc/48/21/97/725482197.db2.gz YWQIRGNFIDRIBE-KBPBESRZSA-N 1 2 294.358 1.024 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1c[nH]nc1C ZINC001051053799 725487078 /nfs/dbraw/zinc/48/70/78/725487078.db2.gz VTQPSLGPAUWJMZ-CYBMUJFWSA-N 1 2 292.383 1.115 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1c[nH]nc1C ZINC001051053799 725487080 /nfs/dbraw/zinc/48/70/80/725487080.db2.gz VTQPSLGPAUWJMZ-CYBMUJFWSA-N 1 2 292.383 1.115 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccn(C(C)(C)C)n2)C1 ZINC001042830921 725501966 /nfs/dbraw/zinc/50/19/66/725501966.db2.gz LWFKPANBOUOSMK-UHFFFAOYSA-N 1 2 290.411 1.970 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCOC[C@H](C)C2)nn1 ZINC000846835170 725521244 /nfs/dbraw/zinc/52/12/44/725521244.db2.gz VDXRNCHDDKCRPI-GFCCVEGCSA-N 1 2 250.346 1.323 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCOC[C@H](C)C2)nn1 ZINC000846835170 725521255 /nfs/dbraw/zinc/52/12/55/725521255.db2.gz VDXRNCHDDKCRPI-GFCCVEGCSA-N 1 2 250.346 1.323 20 30 CDEDLO C=C(CO)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000791394358 725531573 /nfs/dbraw/zinc/53/15/73/725531573.db2.gz YJFCCUIHFDUACV-UHFFFAOYSA-N 1 2 257.293 1.037 20 30 CDEDLO C=C(C)C[C@@H](CO)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000882902938 725541226 /nfs/dbraw/zinc/54/12/26/725541226.db2.gz SIKYMRUVSSSSOV-ZDUSSCGKSA-N 1 2 273.336 1.700 20 30 CDEDLO C=C(C)C[N@@H+](C)Cc1c(C)nn(CCS(C)(=O)=O)c1C ZINC000797978537 725561004 /nfs/dbraw/zinc/56/10/04/725561004.db2.gz AXWDCGUDJLIDHS-UHFFFAOYSA-N 1 2 299.440 1.552 20 30 CDEDLO C=C(C)C[N@H+](C)Cc1c(C)nn(CCS(C)(=O)=O)c1C ZINC000797978537 725561009 /nfs/dbraw/zinc/56/10/09/725561009.db2.gz AXWDCGUDJLIDHS-UHFFFAOYSA-N 1 2 299.440 1.552 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)c2ccccc2n1 ZINC001038420467 725562811 /nfs/dbraw/zinc/56/28/11/725562811.db2.gz ZTXFPOOIMVWACH-AWEZNQCLSA-N 1 2 293.370 1.981 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)c2ccccc2n1 ZINC001038420467 725562824 /nfs/dbraw/zinc/56/28/24/725562824.db2.gz ZTXFPOOIMVWACH-AWEZNQCLSA-N 1 2 293.370 1.981 20 30 CDEDLO Cc1nc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001064465407 725609123 /nfs/dbraw/zinc/60/91/23/725609123.db2.gz JULQGAOZENWUSE-YUTCNCBUSA-N 1 2 299.378 1.514 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2coc(OCC)n2)C1 ZINC001030613812 725657773 /nfs/dbraw/zinc/65/77/73/725657773.db2.gz PLRHPCVRPHLCFM-UHFFFAOYSA-N 1 2 265.313 1.063 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C(C)C)n1 ZINC001032500991 725666647 /nfs/dbraw/zinc/66/66/47/725666647.db2.gz OSOJHGLQOIMOQO-KBPBESRZSA-N 1 2 283.375 1.737 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C(C)C)n1 ZINC001032500991 725666674 /nfs/dbraw/zinc/66/66/74/725666674.db2.gz OSOJHGLQOIMOQO-KBPBESRZSA-N 1 2 283.375 1.737 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC000195335907 725690107 /nfs/dbraw/zinc/69/01/07/725690107.db2.gz RLCLDQQSPKYHFP-BQYQJAHWSA-N 1 2 279.343 1.349 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000884157276 725705366 /nfs/dbraw/zinc/70/53/66/725705366.db2.gz WTBUOFJQTUBETD-FQUUOJAGSA-N 1 2 294.395 1.518 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C)[nH]c2C)C1 ZINC001043978770 725894040 /nfs/dbraw/zinc/89/40/40/725894040.db2.gz GHTXXMXWIRIGNK-UHFFFAOYSA-N 1 2 261.369 1.964 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(F)cc(C)cc1F ZINC001038502172 725894290 /nfs/dbraw/zinc/89/42/90/725894290.db2.gz QUHGLUFARGXCLI-LLVKDONJSA-N 1 2 278.302 1.711 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(F)cc(C)cc1F ZINC001038502172 725894293 /nfs/dbraw/zinc/89/42/93/725894293.db2.gz QUHGLUFARGXCLI-LLVKDONJSA-N 1 2 278.302 1.711 20 30 CDEDLO C[C@H](CC(=O)[C@@H](C#N)C(=O)N1CCCC1)n1cc[nH+]c1 ZINC000845438807 725899229 /nfs/dbraw/zinc/89/92/29/725899229.db2.gz BCLUCOBMKSZQNC-VXGBXAGGSA-N 1 2 274.324 1.165 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)C2CCOCC2)CC1 ZINC001000360155 725932100 /nfs/dbraw/zinc/93/21/00/725932100.db2.gz UNEJRKFCNGYCSY-UHFFFAOYSA-N 1 2 298.814 1.914 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)C2CCOCC2)CC1 ZINC001000360155 725932103 /nfs/dbraw/zinc/93/21/03/725932103.db2.gz UNEJRKFCNGYCSY-UHFFFAOYSA-N 1 2 298.814 1.914 20 30 CDEDLO Nc1nc2c(s1)C(=[NH+]N1CCOCC1)CCC2 ZINC000814696574 725943211 /nfs/dbraw/zinc/94/32/11/725943211.db2.gz RJVGRMQRZSPFLD-UHFFFAOYSA-N 1 2 252.343 1.098 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(OC)cc1F ZINC001038473431 725949399 /nfs/dbraw/zinc/94/93/99/725949399.db2.gz NGBNNRZGVJQYDV-NSHDSACASA-N 1 2 276.311 1.272 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OC)cc1F ZINC001038473431 725949401 /nfs/dbraw/zinc/94/94/01/725949401.db2.gz NGBNNRZGVJQYDV-NSHDSACASA-N 1 2 276.311 1.272 20 30 CDEDLO C#CC[C@H]1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000888661769 725974032 /nfs/dbraw/zinc/97/40/32/725974032.db2.gz CXZSRFCSBCUZKE-GJZGRUSLSA-N 1 2 298.390 1.715 20 30 CDEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+]2C[C@@H](F)CC)nn1 ZINC001038792892 725981209 /nfs/dbraw/zinc/98/12/09/725981209.db2.gz ZDMOQVPICYJZHG-NWDGAFQWSA-N 1 2 295.362 1.016 20 30 CDEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+]2C[C@@H](F)CC)nn1 ZINC001038792892 725981211 /nfs/dbraw/zinc/98/12/11/725981211.db2.gz ZDMOQVPICYJZHG-NWDGAFQWSA-N 1 2 295.362 1.016 20 30 CDEDLO C=C(Br)C[N@H+](CCOC)CCC(=O)OC ZINC000096544176 725992320 /nfs/dbraw/zinc/99/23/20/725992320.db2.gz NMAHPDNJTIXKMJ-UHFFFAOYSA-N 1 2 280.162 1.407 20 30 CDEDLO C=C(Br)C[N@@H+](CCOC)CCC(=O)OC ZINC000096544176 725992322 /nfs/dbraw/zinc/99/23/22/725992322.db2.gz NMAHPDNJTIXKMJ-UHFFFAOYSA-N 1 2 280.162 1.407 20 30 CDEDLO C=CCCN(C)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925598789 725993679 /nfs/dbraw/zinc/99/36/79/725993679.db2.gz YXSOGOBZHHMKOV-CYBMUJFWSA-N 1 2 269.389 1.315 20 30 CDEDLO C#CCC1([NH2+]CC(=O)OCC(C)C)CCOCC1 ZINC000887123419 725996018 /nfs/dbraw/zinc/99/60/18/725996018.db2.gz OHULDDWXORVMDN-UHFFFAOYSA-N 1 2 253.342 1.348 20 30 CDEDLO C=CC[N@@H+](C)CN1C[C@](C(=O)OCC)(C(C)C)CC1=O ZINC000795445891 726000334 /nfs/dbraw/zinc/00/03/34/726000334.db2.gz FEKDXQNZUNMIBF-HNNXBMFYSA-N 1 2 282.384 1.500 20 30 CDEDLO C=CC[N@H+](C)CN1C[C@](C(=O)OCC)(C(C)C)CC1=O ZINC000795445891 726000336 /nfs/dbraw/zinc/00/03/36/726000336.db2.gz FEKDXQNZUNMIBF-HNNXBMFYSA-N 1 2 282.384 1.500 20 30 CDEDLO C=CCN(C(=O)c1cccc2[nH+]ccn21)[C@@H](C)COC ZINC000855372526 726001844 /nfs/dbraw/zinc/00/18/44/726001844.db2.gz ZODZKZKHIRZQFA-LBPRGKRZSA-N 1 2 273.336 1.997 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2csc(C(C)(C)C)n2)C1 ZINC001031105723 726005513 /nfs/dbraw/zinc/00/55/13/726005513.db2.gz SQSHDJXPWFILBC-UHFFFAOYSA-N 1 2 291.420 1.878 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(N2CC=CC2)cc1 ZINC001038693863 726006867 /nfs/dbraw/zinc/00/68/67/726006867.db2.gz NUVWXCYVKRGBSK-QGZVFWFLSA-N 1 2 295.386 1.500 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N2CC=CC2)cc1 ZINC001038693863 726006868 /nfs/dbraw/zinc/00/68/68/726006868.db2.gz NUVWXCYVKRGBSK-QGZVFWFLSA-N 1 2 295.386 1.500 20 30 CDEDLO CN(C(=O)c1cccc(-n2cc[nH+]c2)c1)C1CN(CC#N)C1 ZINC001044131282 726007059 /nfs/dbraw/zinc/00/70/59/726007059.db2.gz HSRBSAFADFICCB-UHFFFAOYSA-N 1 2 295.346 1.152 20 30 CDEDLO N#C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCN1C1CC1 ZINC000932602521 726008225 /nfs/dbraw/zinc/00/82/25/726008225.db2.gz YGGDRYZAGJUVIB-CYBMUJFWSA-N 1 2 295.346 1.375 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000879222924 726008307 /nfs/dbraw/zinc/00/83/07/726008307.db2.gz KSSSPLXPLWAJGW-TXEJJXNPSA-N 1 2 250.342 1.703 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000879222924 726008308 /nfs/dbraw/zinc/00/83/08/726008308.db2.gz KSSSPLXPLWAJGW-TXEJJXNPSA-N 1 2 250.342 1.703 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)COc1ccc(C#N)cc1 ZINC000045136833 1166246342 /nfs/dbraw/zinc/24/63/42/1166246342.db2.gz DWIQPGVRVMMFBR-UHFFFAOYSA-N 1 2 284.319 1.029 20 30 CDEDLO CCN(CC#N)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155175403 1167101634 /nfs/dbraw/zinc/10/16/34/1167101634.db2.gz SZJHZCMYNZYUEH-VXGBXAGGSA-N 1 2 289.383 1.180 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCO1)C2 ZINC001095148965 912526475 /nfs/dbraw/zinc/52/64/75/912526475.db2.gz NLIPEUSOBREERC-VOAKCMCISA-N 1 2 284.787 1.639 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCO1)C2 ZINC001095148965 912526495 /nfs/dbraw/zinc/52/64/95/912526495.db2.gz NLIPEUSOBREERC-VOAKCMCISA-N 1 2 284.787 1.639 20 30 CDEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1snnc1C)C2 ZINC001095162894 912541783 /nfs/dbraw/zinc/54/17/83/912541783.db2.gz NOMZJGDUJPWUDK-VWYCJHECSA-N 1 2 278.381 1.368 20 30 CDEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1snnc1C)C2 ZINC001095162894 912541802 /nfs/dbraw/zinc/54/18/02/912541802.db2.gz NOMZJGDUJPWUDK-VWYCJHECSA-N 1 2 278.381 1.368 20 30 CDEDLO C#CC(C)(C)C(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001272345704 912907581 /nfs/dbraw/zinc/90/75/81/912907581.db2.gz JOMXPJQTIWUNDS-UHFFFAOYSA-N 1 2 271.364 1.318 20 30 CDEDLO N#Cc1ccncc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001174490379 913162953 /nfs/dbraw/zinc/16/29/53/913162953.db2.gz MLCFXJXWTVNKBR-UHFFFAOYSA-N 1 2 298.350 1.226 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1C1=CC(=O)C[C@@H](C)C1 ZINC001210766252 895409626 /nfs/dbraw/zinc/40/96/26/895409626.db2.gz LABQZRRGXDVUDR-QMMMGPOBSA-N 1 2 263.297 1.482 20 30 CDEDLO COc1cc(N2CCN(C(=O)C(C)(C)C#N)CC2)cc[nH+]1 ZINC001143399832 896143911 /nfs/dbraw/zinc/14/39/11/896143911.db2.gz ZBXLLTZDSYCVFP-UHFFFAOYSA-N 1 2 288.351 1.289 20 30 CDEDLO Cc1nc(NC[C@@H](C)N(C)C(=O)CSCC#N)cc[nH+]1 ZINC001104463850 897319012 /nfs/dbraw/zinc/31/90/12/897319012.db2.gz HHCKFHOCJWHAHJ-SNVBAGLBSA-N 1 2 293.396 1.301 20 30 CDEDLO C=CCOCC(=O)N(C)[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001104496185 897618229 /nfs/dbraw/zinc/61/82/29/897618229.db2.gz KGUAXPZKJKZHSM-NSHDSACASA-N 1 2 278.356 1.246 20 30 CDEDLO C#CCCCC(=O)N(C)[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001104538801 898366553 /nfs/dbraw/zinc/36/65/53/898366553.db2.gz XEFPGPIORYNEPU-GFCCVEGCSA-N 1 2 274.368 1.847 20 30 CDEDLO C=CC[N@H+](CCc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000066559792 898377049 /nfs/dbraw/zinc/37/70/49/898377049.db2.gz SGQZEXHAZZWLPI-LBPRGKRZSA-N 1 2 285.434 1.966 20 30 CDEDLO C=CC[N@@H+](CCc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000066559792 898377064 /nfs/dbraw/zinc/37/70/64/898377064.db2.gz SGQZEXHAZZWLPI-LBPRGKRZSA-N 1 2 285.434 1.966 20 30 CDEDLO C[C@@H](CCNC(=O)Cn1cc[nH+]c1)Nc1ccc(C#N)nc1 ZINC001099261286 914254614 /nfs/dbraw/zinc/25/46/14/914254614.db2.gz APPPLWGQKRNWBM-LBPRGKRZSA-N 1 2 298.350 1.157 20 30 CDEDLO CC#CCON=C(N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000166068538 898736244 /nfs/dbraw/zinc/73/62/44/898736244.db2.gz HXQZSGIEEPCLMC-OAHLLOKOSA-N 1 2 287.363 1.200 20 30 CDEDLO CC#CCON=C(N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000166068538 898736250 /nfs/dbraw/zinc/73/62/50/898736250.db2.gz HXQZSGIEEPCLMC-OAHLLOKOSA-N 1 2 287.363 1.200 20 30 CDEDLO C=CCS(=O)(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000711107653 903724121 /nfs/dbraw/zinc/72/41/21/903724121.db2.gz NTVMPHJOWUOWLX-UHFFFAOYSA-N 1 2 263.322 1.800 20 30 CDEDLO C=C(C)C(=O)OCCNc1ccc(N2CCOCC2)c[nH+]1 ZINC001168070247 906656098 /nfs/dbraw/zinc/65/60/98/906656098.db2.gz JAFNYZNWIOBGFB-UHFFFAOYSA-N 1 2 291.351 1.449 20 30 CDEDLO C#CCN1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC001088709785 909182458 /nfs/dbraw/zinc/18/24/58/909182458.db2.gz VXLGJNYGUCTAFA-DOMZBBRYSA-N 1 2 282.347 1.160 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)cnn2C)[C@H]1C ZINC001088802596 909467434 /nfs/dbraw/zinc/46/74/34/909467434.db2.gz RIVSHVABRRIPOA-NEPJUHHUSA-N 1 2 296.802 1.674 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)cnn2C)[C@H]1C ZINC001088802596 909467440 /nfs/dbraw/zinc/46/74/40/909467440.db2.gz RIVSHVABRRIPOA-NEPJUHHUSA-N 1 2 296.802 1.674 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](CC)OC)CC2)C1 ZINC001093516010 909891570 /nfs/dbraw/zinc/89/15/70/909891570.db2.gz CLAAONVRSHMZHZ-OAHLLOKOSA-N 1 2 296.411 1.289 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3[nH]cnc3C)[C@@H]2C1 ZINC001076644848 909945551 /nfs/dbraw/zinc/94/55/51/909945551.db2.gz XZICNOBFRAIKKI-NWDGAFQWSA-N 1 2 294.786 1.617 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3[nH]cnc3C)[C@@H]2C1 ZINC001076644848 909945561 /nfs/dbraw/zinc/94/55/61/909945561.db2.gz XZICNOBFRAIKKI-NWDGAFQWSA-N 1 2 294.786 1.617 20 30 CDEDLO C=C(C)CCC(=O)NCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001076798566 910050085 /nfs/dbraw/zinc/05/00/85/910050085.db2.gz HAYYADAPAXRIDR-ZDUSSCGKSA-N 1 2 292.383 1.250 20 30 CDEDLO C[C@H](CCCCNCC#N)NC(=O)c1cccc2[nH+]ccn21 ZINC001171783823 910957116 /nfs/dbraw/zinc/95/71/16/910957116.db2.gz DLMDJSFKMOGVCJ-CYBMUJFWSA-N 1 2 299.378 1.736 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(OC)nn1 ZINC001483402913 911061077 /nfs/dbraw/zinc/06/10/77/911061077.db2.gz WCIPOKRTJIGGML-JTQLQIEISA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(OC)nn1 ZINC001483402913 911061096 /nfs/dbraw/zinc/06/10/96/911061096.db2.gz WCIPOKRTJIGGML-JTQLQIEISA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccc(F)cc2F)C1 ZINC001030347656 911699159 /nfs/dbraw/zinc/69/91/59/911699159.db2.gz YULJRFXQEDCZEQ-UHFFFAOYSA-N 1 2 280.318 1.884 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001106067082 912139001 /nfs/dbraw/zinc/13/90/01/912139001.db2.gz PTDOPLHTDXMBAV-DGCLKSJQSA-N 1 2 292.383 1.276 20 30 CDEDLO N#C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC001178100534 915167165 /nfs/dbraw/zinc/16/71/65/915167165.db2.gz XANHKLKOCNKSRX-ZIAGYGMSSA-N 1 2 280.331 1.827 20 30 CDEDLO Cc1[nH+]c[nH]c1CSCCNC(=O)[C@@H](C)C#N ZINC001179900305 916040638 /nfs/dbraw/zinc/04/06/38/916040638.db2.gz GSZVRRDYLKRVHA-QMMMGPOBSA-N 1 2 252.343 1.227 20 30 CDEDLO C=CCCC(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001124636270 936327187 /nfs/dbraw/zinc/32/71/87/936327187.db2.gz LDSFBKOJQHWFPN-UHFFFAOYSA-N 1 2 264.329 1.119 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C#N)Cc2ccc(O)cc2)CC1 ZINC001183610346 918543467 /nfs/dbraw/zinc/54/34/67/918543467.db2.gz UXJZAOYVLVPPMU-HNNXBMFYSA-N 1 2 299.374 1.405 20 30 CDEDLO C#Cc1cc(NC(=O)CCc2ccc(N)[nH+]c2)ccn1 ZINC001183928455 918770900 /nfs/dbraw/zinc/77/09/00/918770900.db2.gz CXXWHQSAZSNEDB-UHFFFAOYSA-N 1 2 266.304 1.033 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001107843077 918858889 /nfs/dbraw/zinc/85/88/89/918858889.db2.gz DKMZAUANKCHJAW-WBTNSWJXSA-N 1 2 292.423 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001107843077 918858905 /nfs/dbraw/zinc/85/89/05/918858905.db2.gz DKMZAUANKCHJAW-WBTNSWJXSA-N 1 2 292.423 1.816 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2ccoc2)C1 ZINC001107890418 919000855 /nfs/dbraw/zinc/00/08/55/919000855.db2.gz NJIXNLTVSJTDBJ-HNNXBMFYSA-N 1 2 278.352 1.215 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2ccoc2)C1 ZINC001107890418 919000867 /nfs/dbraw/zinc/00/08/67/919000867.db2.gz NJIXNLTVSJTDBJ-HNNXBMFYSA-N 1 2 278.352 1.215 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](OCC)C(C)C)C1 ZINC001107938262 919088821 /nfs/dbraw/zinc/08/88/21/919088821.db2.gz MMGKJSBXFTXLMQ-GDBMZVCRSA-N 1 2 298.427 1.441 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](OCC)C(C)C)C1 ZINC001107938262 919088839 /nfs/dbraw/zinc/08/88/39/919088839.db2.gz MMGKJSBXFTXLMQ-GDBMZVCRSA-N 1 2 298.427 1.441 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc[nH]c2)C1 ZINC001107960367 919179098 /nfs/dbraw/zinc/17/90/98/919179098.db2.gz DQKAKWSBZWYZGE-CQSZACIVSA-N 1 2 263.341 1.021 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc[nH]c2)C1 ZINC001107960367 919179107 /nfs/dbraw/zinc/17/91/07/919179107.db2.gz DQKAKWSBZWYZGE-CQSZACIVSA-N 1 2 263.341 1.021 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2ccncc2F)C1=O ZINC001272767082 919200794 /nfs/dbraw/zinc/20/07/94/919200794.db2.gz XESSJCLQSIYMCU-MRXNPFEDSA-N 1 2 287.338 1.421 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2ccncc2F)C1=O ZINC001272767082 919200809 /nfs/dbraw/zinc/20/08/09/919200809.db2.gz XESSJCLQSIYMCU-MRXNPFEDSA-N 1 2 287.338 1.421 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccc(CC)n2)C1 ZINC001042940631 919393668 /nfs/dbraw/zinc/39/36/68/919393668.db2.gz URXCBPIQARQIOC-UHFFFAOYSA-N 1 2 271.364 1.424 20 30 CDEDLO CC[N@@H+](CCC#N)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001139093965 936594689 /nfs/dbraw/zinc/59/46/89/936594689.db2.gz MXPLWPJZRGXXSV-UHFFFAOYSA-N 1 2 256.313 1.602 20 30 CDEDLO COc1cc(O)ccc1C[NH+]1CCN(CCC#N)CC1 ZINC001139139802 936601492 /nfs/dbraw/zinc/60/14/92/936601492.db2.gz BPFSJDOZGGZWNY-UHFFFAOYSA-N 1 2 275.352 1.432 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)C2CCC2)C1 ZINC001108018778 919972176 /nfs/dbraw/zinc/97/21/76/919972176.db2.gz SCGGZAZQNHFPAT-CZUORRHYSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)C2CCC2)C1 ZINC001108018778 919972182 /nfs/dbraw/zinc/97/21/82/919972182.db2.gz SCGGZAZQNHFPAT-CZUORRHYSA-N 1 2 280.412 1.816 20 30 CDEDLO Cc1nc2cc(C)ccn2c1C[NH+]1CCN(CCC#N)CC1 ZINC001139681024 936635329 /nfs/dbraw/zinc/63/53/29/936635329.db2.gz RNMLGPUECMPGPA-UHFFFAOYSA-N 1 2 297.406 1.982 20 30 CDEDLO C=CCn1cc(C[N@@H+]2CCCC3(C2)OCCO3)cn1 ZINC001139772171 936645639 /nfs/dbraw/zinc/64/56/39/936645639.db2.gz BGFZDFMYQIACOP-UHFFFAOYSA-N 1 2 263.341 1.408 20 30 CDEDLO C=CCn1cc(C[N@H+]2CCCC3(C2)OCCO3)cn1 ZINC001139772171 936645640 /nfs/dbraw/zinc/64/56/40/936645640.db2.gz BGFZDFMYQIACOP-UHFFFAOYSA-N 1 2 263.341 1.408 20 30 CDEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C(C)(C)F)c2C1 ZINC001128165035 920894470 /nfs/dbraw/zinc/89/44/70/920894470.db2.gz WYHKGPTXWRUMHF-UHFFFAOYSA-N 1 2 294.374 1.639 20 30 CDEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C(C)(C)F)c2C1 ZINC001128165035 920894477 /nfs/dbraw/zinc/89/44/77/920894477.db2.gz WYHKGPTXWRUMHF-UHFFFAOYSA-N 1 2 294.374 1.639 20 30 CDEDLO C=CCC1(S(=O)(=O)Nc2cc[nH+]c(CO)c2)CC1 ZINC001190773676 922189262 /nfs/dbraw/zinc/18/92/62/922189262.db2.gz LYVKLFSYEPHCNH-UHFFFAOYSA-N 1 2 268.338 1.424 20 30 CDEDLO Cc1ncc(CO)c(C[N@@H+]2CC[C@@](C)(C#N)C2)c1O ZINC001140870952 936768782 /nfs/dbraw/zinc/76/87/82/936768782.db2.gz KCRSTUUTHYAJMQ-AWEZNQCLSA-N 1 2 261.325 1.324 20 30 CDEDLO Cc1ncc(CO)c(C[N@H+]2CC[C@@](C)(C#N)C2)c1O ZINC001140870952 936768784 /nfs/dbraw/zinc/76/87/84/936768784.db2.gz KCRSTUUTHYAJMQ-AWEZNQCLSA-N 1 2 261.325 1.324 20 30 CDEDLO CC#CCN(C)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000836478730 936784615 /nfs/dbraw/zinc/78/46/15/936784615.db2.gz UWRNEAWRZZOHCJ-UHFFFAOYSA-N 1 2 260.341 1.943 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC(C)(C)C)[C@H](O)C1 ZINC001099680901 922770861 /nfs/dbraw/zinc/77/08/61/922770861.db2.gz IHOLOJZXCSADGY-VXGBXAGGSA-N 1 2 288.819 1.727 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C)[C@H](O)C1 ZINC001099680901 922770875 /nfs/dbraw/zinc/77/08/75/922770875.db2.gz IHOLOJZXCSADGY-VXGBXAGGSA-N 1 2 288.819 1.727 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2CCC2)C1 ZINC001035263277 922939512 /nfs/dbraw/zinc/93/95/12/922939512.db2.gz HZEDWCKJLHTMBV-ZDUSSCGKSA-N 1 2 252.358 1.180 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C2CCC2)C1 ZINC001035263277 922939518 /nfs/dbraw/zinc/93/95/18/922939518.db2.gz HZEDWCKJLHTMBV-ZDUSSCGKSA-N 1 2 252.358 1.180 20 30 CDEDLO N#Cc1c(N)sc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c1Cl ZINC001141106736 936813028 /nfs/dbraw/zinc/81/30/28/936813028.db2.gz GSIOHUOIBDVWQZ-HTQZYQBOSA-N 1 2 289.763 1.760 20 30 CDEDLO N#Cc1c(N)sc(C[N@H+]2CC[C@@H](F)[C@H](O)C2)c1Cl ZINC001141106736 936813029 /nfs/dbraw/zinc/81/30/29/936813029.db2.gz GSIOHUOIBDVWQZ-HTQZYQBOSA-N 1 2 289.763 1.760 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001193241200 923561433 /nfs/dbraw/zinc/56/14/33/923561433.db2.gz QCGWWEIYGIEWRK-WNFXYAGKSA-N 1 2 298.814 1.669 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001193241200 923561440 /nfs/dbraw/zinc/56/14/40/923561440.db2.gz QCGWWEIYGIEWRK-WNFXYAGKSA-N 1 2 298.814 1.669 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]nc2Cl)CC1 ZINC001194956510 924410626 /nfs/dbraw/zinc/41/06/26/924410626.db2.gz FBPJVNOWLZZAGJ-UHFFFAOYSA-N 1 2 254.721 1.007 20 30 CDEDLO C=CCCC(=O)N1CCC[N@@H+](Cc2cc(C)n(C)n2)CC1 ZINC001195191230 924488760 /nfs/dbraw/zinc/48/87/60/924488760.db2.gz FCWPAIMAHGGIMI-UHFFFAOYSA-N 1 2 290.411 1.729 20 30 CDEDLO C=CCCC(=O)N1CCC[N@H+](Cc2cc(C)n(C)n2)CC1 ZINC001195191230 924488766 /nfs/dbraw/zinc/48/87/66/924488766.db2.gz FCWPAIMAHGGIMI-UHFFFAOYSA-N 1 2 290.411 1.729 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)cc(C#N)c2)CC1 ZINC001195420322 924605980 /nfs/dbraw/zinc/60/59/80/924605980.db2.gz MWMKACGVFLNMNF-UHFFFAOYSA-N 1 2 269.348 1.811 20 30 CDEDLO N#C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC001250667673 924671447 /nfs/dbraw/zinc/67/14/47/924671447.db2.gz FIILPHAABHEWEE-DGCLKSJQSA-N 1 2 280.755 1.925 20 30 CDEDLO N#C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC001250667673 924671450 /nfs/dbraw/zinc/67/14/50/924671450.db2.gz FIILPHAABHEWEE-DGCLKSJQSA-N 1 2 280.755 1.925 20 30 CDEDLO Cc1oncc1C[N@H+]1CCCN(C(=O)C#CC(C)C)CC1 ZINC001195775038 924728680 /nfs/dbraw/zinc/72/86/80/924728680.db2.gz NIYHDUVDRBJKCR-UHFFFAOYSA-N 1 2 289.379 1.677 20 30 CDEDLO Cc1oncc1C[N@@H+]1CCCN(C(=O)C#CC(C)C)CC1 ZINC001195775038 924728687 /nfs/dbraw/zinc/72/86/87/924728687.db2.gz NIYHDUVDRBJKCR-UHFFFAOYSA-N 1 2 289.379 1.677 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(F)CCCCC2)[C@H](OC)C1 ZINC001082299232 924893002 /nfs/dbraw/zinc/89/30/02/924893002.db2.gz NRPAUNXPKWFXMB-CHWSQXEVSA-N 1 2 282.359 1.107 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(F)CCCCC2)[C@H](OC)C1 ZINC001082299232 924893011 /nfs/dbraw/zinc/89/30/11/924893011.db2.gz NRPAUNXPKWFXMB-CHWSQXEVSA-N 1 2 282.359 1.107 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](F)CC)C[C@H]1O ZINC001196474200 924907575 /nfs/dbraw/zinc/90/75/75/924907575.db2.gz FRHRUHCQHIGIKM-JHJVBQTASA-N 1 2 286.391 1.498 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](F)CC)C[C@H]1O ZINC001196474200 924907581 /nfs/dbraw/zinc/90/75/81/924907581.db2.gz FRHRUHCQHIGIKM-JHJVBQTASA-N 1 2 286.391 1.498 20 30 CDEDLO CC[N@H+](Cc1ccc(C#N)c(SC)n1)C1CN(C)C1 ZINC001141945982 936956468 /nfs/dbraw/zinc/95/64/68/936956468.db2.gz VFBZZUGUVSQEAM-UHFFFAOYSA-N 1 2 276.409 1.811 20 30 CDEDLO CC[N@@H+](Cc1ccc(C#N)c(SC)n1)C1CN(C)C1 ZINC001141945982 936956470 /nfs/dbraw/zinc/95/64/70/936956470.db2.gz VFBZZUGUVSQEAM-UHFFFAOYSA-N 1 2 276.409 1.811 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2sccc2CC)[C@@H](O)C1 ZINC001084087331 925138966 /nfs/dbraw/zinc/13/89/66/925138966.db2.gz IMCWGHRZYKQQME-OLZOCXBDSA-N 1 2 292.404 1.109 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2sccc2CC)[C@@H](O)C1 ZINC001084087331 925138975 /nfs/dbraw/zinc/13/89/75/925138975.db2.gz IMCWGHRZYKQQME-OLZOCXBDSA-N 1 2 292.404 1.109 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(CCC)CC2)C1 ZINC001108193724 925314981 /nfs/dbraw/zinc/31/49/81/925314981.db2.gz MNBJUZAOHOQIQF-MRXNPFEDSA-N 1 2 292.423 1.797 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2(CCC)CC2)C1 ZINC001108193724 925314990 /nfs/dbraw/zinc/31/49/90/925314990.db2.gz MNBJUZAOHOQIQF-MRXNPFEDSA-N 1 2 292.423 1.797 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3[nH]nc4ccccc43)[C@@H]2C1 ZINC001084807884 925436646 /nfs/dbraw/zinc/43/66/46/925436646.db2.gz NORFTAYIJQNLCR-IUODEOHRSA-N 1 2 296.374 1.895 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3[nH]nc4ccccc43)[C@@H]2C1 ZINC001084807884 925436650 /nfs/dbraw/zinc/43/66/50/925436650.db2.gz NORFTAYIJQNLCR-IUODEOHRSA-N 1 2 296.374 1.895 20 30 CDEDLO C#CCOC[C@H](O)C[N@@H+](C)Cc1csc(C(C)C)n1 ZINC001251850948 925574423 /nfs/dbraw/zinc/57/44/23/925574423.db2.gz ALSBJAYSPXONPX-CYBMUJFWSA-N 1 2 282.409 1.709 20 30 CDEDLO C#CCOC[C@H](O)C[N@H+](C)Cc1csc(C(C)C)n1 ZINC001251850948 925574425 /nfs/dbraw/zinc/57/44/25/925574425.db2.gz ALSBJAYSPXONPX-CYBMUJFWSA-N 1 2 282.409 1.709 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(C(C)C)CC2)C1 ZINC001108202823 925792444 /nfs/dbraw/zinc/79/24/44/925792444.db2.gz NDBJQSKLCFIEFY-HNNXBMFYSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(C(C)C)CC2)C1 ZINC001108202823 925792454 /nfs/dbraw/zinc/79/24/54/925792454.db2.gz NDBJQSKLCFIEFY-HNNXBMFYSA-N 1 2 280.412 1.816 20 30 CDEDLO CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001085446221 925976136 /nfs/dbraw/zinc/97/61/36/925976136.db2.gz YOHIACDMPFVBML-INIZCTEOSA-N 1 2 274.339 1.730 20 30 CDEDLO CC(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001085446221 925976144 /nfs/dbraw/zinc/97/61/44/925976144.db2.gz YOHIACDMPFVBML-INIZCTEOSA-N 1 2 274.339 1.730 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccnn1[C@H](C)CC ZINC001085623079 926222447 /nfs/dbraw/zinc/22/24/47/926222447.db2.gz KDXSPQICTWLWQZ-KGLIPLIRSA-N 1 2 288.395 1.634 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccnn1[C@H](C)CC ZINC001085623079 926222457 /nfs/dbraw/zinc/22/24/57/926222457.db2.gz KDXSPQICTWLWQZ-KGLIPLIRSA-N 1 2 288.395 1.634 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]nc1CCC ZINC001085686832 926286707 /nfs/dbraw/zinc/28/67/07/926286707.db2.gz CDQLUPOJQQIRAG-LBPRGKRZSA-N 1 2 274.368 1.142 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]nc1CCC ZINC001085686832 926286713 /nfs/dbraw/zinc/28/67/13/926286713.db2.gz CDQLUPOJQQIRAG-LBPRGKRZSA-N 1 2 274.368 1.142 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ncc2ccccn21 ZINC001085721687 926326562 /nfs/dbraw/zinc/32/65/62/926326562.db2.gz CPRLICCKSPIIFU-AWEZNQCLSA-N 1 2 282.347 1.114 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncc2ccccn21 ZINC001085721687 926326568 /nfs/dbraw/zinc/32/65/68/926326568.db2.gz CPRLICCKSPIIFU-AWEZNQCLSA-N 1 2 282.347 1.114 20 30 CDEDLO Cc1cc(C)c(C(=O)N(C)C[C@H]2CCN2CC#N)c(C)[nH+]1 ZINC001085734308 926337651 /nfs/dbraw/zinc/33/76/51/926337651.db2.gz DCQSNBZTMQWDFW-CQSZACIVSA-N 1 2 286.379 1.677 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc([C@H](C)CC)no1 ZINC001085860353 926458874 /nfs/dbraw/zinc/45/88/74/926458874.db2.gz XBUKBYVQOCNYTQ-OLZOCXBDSA-N 1 2 289.379 1.968 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc([C@H](C)CC)no1 ZINC001085860353 926458876 /nfs/dbraw/zinc/45/88/76/926458876.db2.gz XBUKBYVQOCNYTQ-OLZOCXBDSA-N 1 2 289.379 1.968 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2CO)c1F ZINC001143164716 937127520 /nfs/dbraw/zinc/12/75/20/937127520.db2.gz OPGUNVWBPDGJKN-SNVBAGLBSA-N 1 2 252.264 1.793 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2CO)c1F ZINC001143164716 937127523 /nfs/dbraw/zinc/12/75/23/937127523.db2.gz OPGUNVWBPDGJKN-SNVBAGLBSA-N 1 2 252.264 1.793 20 30 CDEDLO Cc1[nH+]c[nH]c1CSCCNC(=O)C1(C#N)CC1 ZINC001143185304 937131057 /nfs/dbraw/zinc/13/10/57/937131057.db2.gz AFXMOXVQXUYHGG-UHFFFAOYSA-N 1 2 264.354 1.371 20 30 CDEDLO Cc1cc(NC[C@H](C)NC(=O)[C@H](C)C#N)nc(C2CC2)[nH+]1 ZINC001108291922 927332836 /nfs/dbraw/zinc/33/28/36/927332836.db2.gz ATDMXQRUZFSSMM-KOLCDFICSA-N 1 2 287.367 1.739 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C2(C)CC2)C1 ZINC001149746350 937202554 /nfs/dbraw/zinc/20/25/54/937202554.db2.gz OTUJRVJIPKMOJU-LBPRGKRZSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C2(C)CC2)C1 ZINC001149746350 937202555 /nfs/dbraw/zinc/20/25/55/937202555.db2.gz OTUJRVJIPKMOJU-LBPRGKRZSA-N 1 2 286.803 1.746 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1cnc(Cl)cc1N ZINC001156320104 928042726 /nfs/dbraw/zinc/04/27/26/928042726.db2.gz QURFRDZYJBRNCO-ZETCQYMHSA-N 1 2 287.701 1.164 20 30 CDEDLO C[N@@H+]1CCOC[C@@H]1CNc1cccc(F)c1CC#N ZINC001169659440 928304381 /nfs/dbraw/zinc/30/43/81/928304381.db2.gz GHZAYTZOEXWCTB-NSHDSACASA-N 1 2 263.316 1.634 20 30 CDEDLO C[N@H+]1CCOC[C@@H]1CNc1cccc(F)c1CC#N ZINC001169659440 928304397 /nfs/dbraw/zinc/30/43/97/928304397.db2.gz GHZAYTZOEXWCTB-NSHDSACASA-N 1 2 263.316 1.634 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC)C2 ZINC001108891934 928716193 /nfs/dbraw/zinc/71/61/93/928716193.db2.gz DWGDTXYRXCUYRT-WOPDTQHZSA-N 1 2 272.776 1.497 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC)C2 ZINC001108891934 928716200 /nfs/dbraw/zinc/71/62/00/928716200.db2.gz DWGDTXYRXCUYRT-WOPDTQHZSA-N 1 2 272.776 1.497 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109251629 928857564 /nfs/dbraw/zinc/85/75/64/928857564.db2.gz CSVOBYSZFNVOPZ-RDBSUJKOSA-N 1 2 278.783 1.874 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109251629 928857577 /nfs/dbraw/zinc/85/75/77/928857577.db2.gz CSVOBYSZFNVOPZ-RDBSUJKOSA-N 1 2 278.783 1.874 20 30 CDEDLO Cc1nnc(C[NH2+]CCNC(=O)CC#Cc2ccccc2)o1 ZINC001151953050 937321478 /nfs/dbraw/zinc/32/14/78/937321478.db2.gz RHYVZGHDCFMHPS-UHFFFAOYSA-N 1 2 298.346 1.026 20 30 CDEDLO CC(C)(C)C#CC(=O)N1CC[NH+](CCOC2CCC2)CC1 ZINC001112836756 929480699 /nfs/dbraw/zinc/48/06/99/929480699.db2.gz IZSHEBYKVXITTA-UHFFFAOYSA-N 1 2 292.423 1.749 20 30 CDEDLO C#CCCCC(=O)NC1CC(CNc2cc[nH+]c(C)n2)C1 ZINC001112838395 929482942 /nfs/dbraw/zinc/48/29/42/929482942.db2.gz UTIVSTARWNAVMP-UHFFFAOYSA-N 1 2 286.379 1.895 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001115674478 937411337 /nfs/dbraw/zinc/41/13/37/937411337.db2.gz IICUGZTVCQJUCX-LBPRGKRZSA-N 1 2 274.368 1.847 20 30 CDEDLO C=C[C@H](COC)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001116644663 937463212 /nfs/dbraw/zinc/46/32/12/937463212.db2.gz RODAPAGHVITWEH-GFCCVEGCSA-N 1 2 278.356 1.431 20 30 CDEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2ncsc2C)C1=O ZINC001274505616 931504601 /nfs/dbraw/zinc/50/46/01/931504601.db2.gz ANGNAXORZRWXGO-HNNXBMFYSA-N 1 2 289.404 1.652 20 30 CDEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2ncsc2C)C1=O ZINC001274505616 931504602 /nfs/dbraw/zinc/50/46/02/931504602.db2.gz ANGNAXORZRWXGO-HNNXBMFYSA-N 1 2 289.404 1.652 20 30 CDEDLO C=CC[C@@H](C)C(=O)Nc1[nH+]cnc2[nH]cc(C(=O)OC)c21 ZINC001144012255 931626731 /nfs/dbraw/zinc/62/67/31/931626731.db2.gz DCFJEOWVQKRQMJ-MRVPVSSYSA-N 1 2 288.307 1.895 20 30 CDEDLO CC[C@@H](C#N)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001154560637 937559236 /nfs/dbraw/zinc/55/92/36/937559236.db2.gz RGUFROKSGJRJBJ-JTQLQIEISA-N 1 2 270.292 1.610 20 30 CDEDLO C[C@H](C#N)C(=O)NCCC[NH2+]Cc1noc(C2CCC2)n1 ZINC001155848203 937681994 /nfs/dbraw/zinc/68/19/94/937681994.db2.gz IARRSMGGANPVIH-SNVBAGLBSA-N 1 2 291.355 1.093 20 30 CDEDLO COC(=O)CC[C@H](C)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001258367742 934822843 /nfs/dbraw/zinc/82/28/43/934822843.db2.gz OBDMNASKDHNXNU-ONGXEEELSA-N 1 2 269.366 1.602 20 30 CDEDLO COC(=O)CC[C@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258367742 934822852 /nfs/dbraw/zinc/82/28/52/934822852.db2.gz OBDMNASKDHNXNU-ONGXEEELSA-N 1 2 269.366 1.602 20 30 CDEDLO COC(=O)CC[C@H](C)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258367742 934822856 /nfs/dbraw/zinc/82/28/56/934822856.db2.gz OBDMNASKDHNXNU-ONGXEEELSA-N 1 2 269.366 1.602 20 30 CDEDLO COC(=O)CC[C@H](C)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258367742 934822860 /nfs/dbraw/zinc/82/28/60/934822860.db2.gz OBDMNASKDHNXNU-ONGXEEELSA-N 1 2 269.366 1.602 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(C)on3)C[C@H]21 ZINC001114671811 934904486 /nfs/dbraw/zinc/90/44/86/934904486.db2.gz KEIPHSXSJOWKTJ-WDNDVIMCSA-N 1 2 289.379 1.742 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C)on3)C[C@H]21 ZINC001114671811 934904490 /nfs/dbraw/zinc/90/44/90/934904490.db2.gz KEIPHSXSJOWKTJ-WDNDVIMCSA-N 1 2 289.379 1.742 20 30 CDEDLO C=C[C@@H](O)CNc1cc(N2CCOCC2)cc(Cl)[nH+]1 ZINC001253573010 935205267 /nfs/dbraw/zinc/20/52/67/935205267.db2.gz FGRHRHVTJGAXFU-LLVKDONJSA-N 1 2 283.759 1.530 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(C)o1 ZINC001017488280 935640260 /nfs/dbraw/zinc/64/02/60/935640260.db2.gz CEFRWABBDJPBOD-GASCZTMLSA-N 1 2 286.375 1.829 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(C)o1 ZINC001017488280 935640262 /nfs/dbraw/zinc/64/02/62/935640262.db2.gz CEFRWABBDJPBOD-GASCZTMLSA-N 1 2 286.375 1.829 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1noc2c1CCCC2 ZINC001038740271 935755221 /nfs/dbraw/zinc/75/52/21/935755221.db2.gz PKUQICXOAVCYCC-LBPRGKRZSA-N 1 2 287.363 1.381 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1noc2c1CCCC2 ZINC001038740271 935755224 /nfs/dbraw/zinc/75/52/24/935755224.db2.gz PKUQICXOAVCYCC-LBPRGKRZSA-N 1 2 287.363 1.381 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1occ2c1CCCC2 ZINC001038958906 935764282 /nfs/dbraw/zinc/76/42/82/935764282.db2.gz QBYQTWSGFXOOFO-AWEZNQCLSA-N 1 2 286.375 1.986 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1occ2c1CCCC2 ZINC001038958906 935764285 /nfs/dbraw/zinc/76/42/85/935764285.db2.gz QBYQTWSGFXOOFO-AWEZNQCLSA-N 1 2 286.375 1.986 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001043412491 935838258 /nfs/dbraw/zinc/83/82/58/935838258.db2.gz QKDBULJILFKQBL-OLZOCXBDSA-N 1 2 252.358 1.130 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(CC)s1)C2 ZINC001096642275 936200607 /nfs/dbraw/zinc/20/06/07/936200607.db2.gz UPLAXRQJVDEPBH-WOPDTQHZSA-N 1 2 289.404 1.674 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(CC)s1)C2 ZINC001096642275 936200611 /nfs/dbraw/zinc/20/06/11/936200611.db2.gz UPLAXRQJVDEPBH-WOPDTQHZSA-N 1 2 289.404 1.674 20 30 CDEDLO Cc1c(Cl)c(Cl)nc(NOCC[NH3+])c1C#N ZINC001156291450 938348757 /nfs/dbraw/zinc/34/87/57/938348757.db2.gz DUUZWNUQSDAHFY-UHFFFAOYSA-N 1 2 261.112 1.871 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1ccc2ccc(F)cc2n1 ZINC001156327567 938352547 /nfs/dbraw/zinc/35/25/47/938352547.db2.gz GCQVVPOYFQZONU-LBPRGKRZSA-N 1 2 256.284 1.676 20 30 CDEDLO N#Cc1cc(C#N)c(N2CC[NH2+]CC(F)(F)C2)nc1Cl ZINC001164492620 939478967 /nfs/dbraw/zinc/47/89/67/939478967.db2.gz AVNICEKXRRTPBI-UHFFFAOYSA-N 1 2 297.696 1.523 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1c1ccc2c(Cl)ccnc2n1 ZINC001164651800 939501732 /nfs/dbraw/zinc/50/17/32/939501732.db2.gz LTOQRUISQJFGMC-SECBINFHSA-N 1 2 273.727 1.585 20 30 CDEDLO CC(=O)N(C)C1CN(c2[nH+]ccc3[nH]cc(C#N)c32)C1 ZINC001166729597 939631700 /nfs/dbraw/zinc/63/17/00/939631700.db2.gz NMPUVUSTRKOGAQ-UHFFFAOYSA-N 1 2 269.308 1.101 20 30 CDEDLO C=CCOc1ccc(C[NH+]2CC(N3CCOCC3)C2)cc1 ZINC001204300689 939754156 /nfs/dbraw/zinc/75/41/56/939754156.db2.gz ZVBIHDJLCWUCJZ-UHFFFAOYSA-N 1 2 288.391 1.768 20 30 CDEDLO CC(=O)[C@H]1C[N@H+](CCc2ccc(C#N)cc2)CCO1 ZINC001208929949 940407730 /nfs/dbraw/zinc/40/77/30/940407730.db2.gz XMOXDFNUFZHVHJ-OAHLLOKOSA-N 1 2 258.321 1.391 20 30 CDEDLO CC(=O)[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)CCO1 ZINC001208929949 940407733 /nfs/dbraw/zinc/40/77/33/940407733.db2.gz XMOXDFNUFZHVHJ-OAHLLOKOSA-N 1 2 258.321 1.391 20 30 CDEDLO C=CCCCC[NH+]1CC2(C1)[C@H](CF)CCS2(=O)=O ZINC001209207334 940447273 /nfs/dbraw/zinc/44/72/73/940447273.db2.gz UBFVQCGMRSHUAN-LBPRGKRZSA-N 1 2 275.389 1.801 20 30 CDEDLO N#CC[C@H](OCC[NH+]1CCOCC1)c1ccccc1 ZINC001210207151 940671581 /nfs/dbraw/zinc/67/15/81/940671581.db2.gz LXHZGDVERWKRRQ-HNNXBMFYSA-N 1 2 260.337 1.990 20 30 CDEDLO CC1(C)COC2(CCC(N3CC[NH2+]C[C@@H]3C#N)CC2)OC1 ZINC001258523493 945344284 /nfs/dbraw/zinc/34/42/84/945344284.db2.gz YHYDHODOQFMHLM-AWEZNQCLSA-N 1 2 293.411 1.496 20 30 CDEDLO O=C1C=CC(=O)c2c(O[C@H]3C[NH2+]CC3(F)F)ccc(O)c21 ZINC001218236472 941048002 /nfs/dbraw/zinc/04/80/02/941048002.db2.gz QMPIQPSHTUPBCX-NSHDSACASA-N 1 2 295.241 1.313 20 30 CDEDLO C[C@@H](C#N)c1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC001218871040 941282285 /nfs/dbraw/zinc/28/22/85/941282285.db2.gz GALOLPOUNPDZPK-GWCFXTLKSA-N 1 2 259.309 1.241 20 30 CDEDLO N#Cc1cccc(C(F)(F)F)c1NC(=O)[C@@H]1COCC[NH2+]1 ZINC001218953994 941293250 /nfs/dbraw/zinc/29/32/50/941293250.db2.gz UQEQTINQFPARLE-JTQLQIEISA-N 1 2 299.252 1.504 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CCC(C)(C)C)[C@@H](O)C1 ZINC001220762734 941469858 /nfs/dbraw/zinc/46/98/58/941469858.db2.gz SEZTYLZBSRNVJG-MJBXVCDLSA-N 1 2 280.412 1.243 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CCC(C)(C)C)[C@@H](O)C1 ZINC001220762734 941469859 /nfs/dbraw/zinc/46/98/59/941469859.db2.gz SEZTYLZBSRNVJG-MJBXVCDLSA-N 1 2 280.412 1.243 20 30 CDEDLO N#Cc1cc(N2CC3(CC[N@@H+]3Cc3cn[nH]c3)C2)ccc1F ZINC001277035280 941846714 /nfs/dbraw/zinc/84/67/14/941846714.db2.gz FRBSCSHREJXGSF-UHFFFAOYSA-N 1 2 297.337 1.885 20 30 CDEDLO N#Cc1cc(N2CC3(CC[N@H+]3Cc3cn[nH]c3)C2)ccc1F ZINC001277035280 941846719 /nfs/dbraw/zinc/84/67/19/941846719.db2.gz FRBSCSHREJXGSF-UHFFFAOYSA-N 1 2 297.337 1.885 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2c(F)cccc2C#N)C1 ZINC001227287106 942163499 /nfs/dbraw/zinc/16/34/99/942163499.db2.gz FKBLAQFHHMLKCF-NSHDSACASA-N 1 2 250.273 1.407 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2c(F)cccc2C#N)C1 ZINC001227287106 942163500 /nfs/dbraw/zinc/16/35/00/942163500.db2.gz FKBLAQFHHMLKCF-NSHDSACASA-N 1 2 250.273 1.407 20 30 CDEDLO N#CC1(NC(=O)c2n[nH]c3c2CC[N@H+](CC2CC2)C3)CCC1 ZINC001277241590 942227935 /nfs/dbraw/zinc/22/79/35/942227935.db2.gz XKZXBECFKWWOKH-UHFFFAOYSA-N 1 2 299.378 1.354 20 30 CDEDLO N#CC1(NC(=O)c2n[nH]c3c2CC[N@@H+](CC2CC2)C3)CCC1 ZINC001277241590 942227939 /nfs/dbraw/zinc/22/79/39/942227939.db2.gz XKZXBECFKWWOKH-UHFFFAOYSA-N 1 2 299.378 1.354 20 30 CDEDLO N#CC1(NC(=O)c2[nH]nc3c2CC[N@H+](CC2CC2)C3)CCC1 ZINC001277241590 942227942 /nfs/dbraw/zinc/22/79/42/942227942.db2.gz XKZXBECFKWWOKH-UHFFFAOYSA-N 1 2 299.378 1.354 20 30 CDEDLO N#CC1(NC(=O)c2[nH]nc3c2CC[N@@H+](CC2CC2)C3)CCC1 ZINC001277241590 942227945 /nfs/dbraw/zinc/22/79/45/942227945.db2.gz XKZXBECFKWWOKH-UHFFFAOYSA-N 1 2 299.378 1.354 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Oc1cc(O)ccc1C#N ZINC001228004413 942255302 /nfs/dbraw/zinc/25/53/02/942255302.db2.gz CFGFXMMVOPQRRN-NSHDSACASA-N 1 2 262.309 1.363 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C\CC ZINC001230987969 942750109 /nfs/dbraw/zinc/75/01/09/942750109.db2.gz CIGSSUBUETZFIT-SVSAJMPUSA-N 1 2 293.411 1.178 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C\CC ZINC001230987969 942750110 /nfs/dbraw/zinc/75/01/10/942750110.db2.gz CIGSSUBUETZFIT-SVSAJMPUSA-N 1 2 293.411 1.178 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001231411184 942881453 /nfs/dbraw/zinc/88/14/53/942881453.db2.gz ZHIRPPKUECVLGO-WCVJEAGWSA-N 1 2 290.407 1.215 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001231411184 942881459 /nfs/dbraw/zinc/88/14/59/942881459.db2.gz ZHIRPPKUECVLGO-WCVJEAGWSA-N 1 2 290.407 1.215 20 30 CDEDLO CCOC(=O)CN(CCC#N)Cc1ccc(N)[nH+]c1C ZINC001232346855 943231868 /nfs/dbraw/zinc/23/18/68/943231868.db2.gz GOJHDQLEDLAGQY-UHFFFAOYSA-N 1 2 276.340 1.251 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cc(F)ccc2N)CC1 ZINC001232511060 943309134 /nfs/dbraw/zinc/30/91/34/943309134.db2.gz QWNWETIANYJMPT-UHFFFAOYSA-N 1 2 262.332 1.439 20 30 CDEDLO C[N@H+](Cc1cc(C#N)ccc1O)[C@@H]1CCC2(C1)OCCO2 ZINC001232677272 943359941 /nfs/dbraw/zinc/35/99/41/943359941.db2.gz AMWSHHWMZFHLDT-CQSZACIVSA-N 1 2 288.347 1.991 20 30 CDEDLO C[N@@H+](Cc1cc(C#N)ccc1O)[C@@H]1CCC2(C1)OCCO2 ZINC001232677272 943359944 /nfs/dbraw/zinc/35/99/44/943359944.db2.gz AMWSHHWMZFHLDT-CQSZACIVSA-N 1 2 288.347 1.991 20 30 CDEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(C)cc2C#N)CCCO1 ZINC001232968096 943447821 /nfs/dbraw/zinc/44/78/21/943447821.db2.gz DSKPPYRLIKKXLN-OAHLLOKOSA-N 1 2 288.347 1.631 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C)cc2C#N)CCCO1 ZINC001232968096 943447824 /nfs/dbraw/zinc/44/78/24/943447824.db2.gz DSKPPYRLIKKXLN-OAHLLOKOSA-N 1 2 288.347 1.631 20 30 CDEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC001233044051 943473702 /nfs/dbraw/zinc/47/37/02/943473702.db2.gz JSASQUWCTJEHPY-CQSZACIVSA-N 1 2 268.320 1.935 20 30 CDEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC001233044051 943473704 /nfs/dbraw/zinc/47/37/04/943473704.db2.gz JSASQUWCTJEHPY-CQSZACIVSA-N 1 2 268.320 1.935 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(C(=O)OCC)ccn2)CC1 ZINC001233326866 943544465 /nfs/dbraw/zinc/54/44/65/943544465.db2.gz VTSNSONMXRTXRK-UHFFFAOYSA-N 1 2 287.363 1.009 20 30 CDEDLO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1ccc(C#N)cc1O ZINC001233387270 943574474 /nfs/dbraw/zinc/57/44/74/943574474.db2.gz CBPDMDCGPWBUFV-AWEZNQCLSA-N 1 2 276.336 1.893 20 30 CDEDLO COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1ccc(C#N)cc1O ZINC001233387270 943574475 /nfs/dbraw/zinc/57/44/75/943574475.db2.gz CBPDMDCGPWBUFV-AWEZNQCLSA-N 1 2 276.336 1.893 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H]3C)n2CC)CC1 ZINC001263042741 943726678 /nfs/dbraw/zinc/72/66/78/943726678.db2.gz OWYWULAHBPLJSX-STQMWFEESA-N 1 2 273.384 1.177 20 30 CDEDLO C[C@H](c1cnccn1)[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234179167 943766995 /nfs/dbraw/zinc/76/69/95/943766995.db2.gz SYVZZNMQCDJCTD-UKRRQHHQSA-N 1 2 298.390 1.484 20 30 CDEDLO C[C@H](c1cnccn1)[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234179167 943766999 /nfs/dbraw/zinc/76/69/99/943766999.db2.gz SYVZZNMQCDJCTD-UKRRQHHQSA-N 1 2 298.390 1.484 20 30 CDEDLO C=CCN(C)c1nnc([C@H]2CCC[N@@H+]2C)n1CCOC ZINC001263265097 943814463 /nfs/dbraw/zinc/81/44/63/943814463.db2.gz CZVSHFJEDXDMBM-GFCCVEGCSA-N 1 2 279.388 1.313 20 30 CDEDLO C=CCN(C)c1nnc([C@H]2CCC[N@H+]2C)n1CCOC ZINC001263265097 943814472 /nfs/dbraw/zinc/81/44/72/943814472.db2.gz CZVSHFJEDXDMBM-GFCCVEGCSA-N 1 2 279.388 1.313 20 30 CDEDLO COCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000586062721 943870405 /nfs/dbraw/zinc/87/04/05/943870405.db2.gz JKCTUFFCHABWKS-OAHLLOKOSA-N 1 2 287.363 1.285 20 30 CDEDLO COCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000586062721 943870412 /nfs/dbraw/zinc/87/04/12/943870412.db2.gz JKCTUFFCHABWKS-OAHLLOKOSA-N 1 2 287.363 1.285 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001234593697 943907864 /nfs/dbraw/zinc/90/78/64/943907864.db2.gz JGIGALUTMCVBRL-AWEZNQCLSA-N 1 2 293.411 1.108 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001234593697 943907870 /nfs/dbraw/zinc/90/78/70/943907870.db2.gz JGIGALUTMCVBRL-AWEZNQCLSA-N 1 2 293.411 1.108 20 30 CDEDLO CC[NH+]1CC(Oc2ccc(Br)c(C#N)n2)C1 ZINC001234639170 943922524 /nfs/dbraw/zinc/92/25/24/943922524.db2.gz VGSRYHDMROZGJA-UHFFFAOYSA-N 1 2 282.141 1.799 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)NCC1(C#N)CCCC1 ZINC001263846623 944000512 /nfs/dbraw/zinc/00/05/12/944000512.db2.gz YBBNUCAVGWXLME-UHFFFAOYSA-N 1 2 260.341 1.553 20 30 CDEDLO CC[N@H+](CCC#N)Cc1ccccc1NS(C)(=O)=O ZINC001235137039 944067755 /nfs/dbraw/zinc/06/77/55/944067755.db2.gz OIODTDWYVDMINH-UHFFFAOYSA-N 1 2 281.381 1.794 20 30 CDEDLO CC[N@@H+](CCC#N)Cc1ccccc1NS(C)(=O)=O ZINC001235137039 944067763 /nfs/dbraw/zinc/06/77/63/944067763.db2.gz OIODTDWYVDMINH-UHFFFAOYSA-N 1 2 281.381 1.794 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(C(=O)OCC)cn2)CC1 ZINC001235873492 944304261 /nfs/dbraw/zinc/30/42/61/944304261.db2.gz SJJSRUDNNJOZMN-UHFFFAOYSA-N 1 2 287.363 1.009 20 30 CDEDLO COC(=O)c1ccc(-c2ccc[nH+]c2N)c(C#N)n1 ZINC001243475482 947127010 /nfs/dbraw/zinc/12/70/10/947127010.db2.gz JMWIAEYYZXNAJQ-UHFFFAOYSA-N 1 2 254.249 1.384 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CC2CC1(C(=O)N1CCCC1)C2 ZINC001255170589 947763896 /nfs/dbraw/zinc/76/38/96/947763896.db2.gz VIQMUTIEUCGZJK-JVWICGRDSA-N 1 2 261.369 1.765 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CC2CC1(C(=O)N1CCCC1)C2 ZINC001255170589 947763905 /nfs/dbraw/zinc/76/39/05/947763905.db2.gz VIQMUTIEUCGZJK-JVWICGRDSA-N 1 2 261.369 1.765 20 30 CDEDLO N#C[C@H]1CN([C@@H]2CCC[N@@H+](C3CCCC3)C2)CCC1=O ZINC001256921343 948457454 /nfs/dbraw/zinc/45/74/54/948457454.db2.gz ZAXQBZUJINYAIP-DZGCQCFKSA-N 1 2 275.396 1.808 20 30 CDEDLO N#C[C@H]1CN([C@@H]2CCC[N@H+](C3CCCC3)C2)CCC1=O ZINC001256921343 948457460 /nfs/dbraw/zinc/45/74/60/948457460.db2.gz ZAXQBZUJINYAIP-DZGCQCFKSA-N 1 2 275.396 1.808 20 30 CDEDLO N#Cc1ccn2ncc(C[N@H+]3CCCC[C@H]3C(N)=O)c2c1 ZINC001249107054 949386510 /nfs/dbraw/zinc/38/65/10/949386510.db2.gz PXMVZJKNEMOWPK-ZDUSSCGKSA-N 1 2 283.335 1.046 20 30 CDEDLO N#Cc1ccn2ncc(C[N@@H+]3CCCC[C@H]3C(N)=O)c2c1 ZINC001249107054 949386536 /nfs/dbraw/zinc/38/65/36/949386536.db2.gz PXMVZJKNEMOWPK-ZDUSSCGKSA-N 1 2 283.335 1.046 20 30 CDEDLO CN(C)C(=O)C1C[NH+](Cc2cccc(C#N)c2F)C1 ZINC001249685736 949754441 /nfs/dbraw/zinc/75/44/41/949754441.db2.gz PJHZLIHKQQPAJA-UHFFFAOYSA-N 1 2 261.300 1.217 20 30 CDEDLO C=CCOC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001252464743 951308443 /nfs/dbraw/zinc/30/84/43/951308443.db2.gz BOTSZMFPGRDROS-UKRRQHHQSA-N 1 2 278.352 1.018 20 30 CDEDLO C=CCOC[C@H](O)C[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001252464743 951308454 /nfs/dbraw/zinc/30/84/54/951308454.db2.gz BOTSZMFPGRDROS-UKRRQHHQSA-N 1 2 278.352 1.018 20 30 CDEDLO C=CCOC[C@@H](O)C[NH2+]Cc1n[nH]c2ccccc21 ZINC001252483971 951347018 /nfs/dbraw/zinc/34/70/18/951347018.db2.gz YFEDWEOPKLXHJI-NSHDSACASA-N 1 2 261.325 1.216 20 30 CDEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1C[C@H](O)CCC ZINC001252781930 951632768 /nfs/dbraw/zinc/63/27/68/951632768.db2.gz YKOJLHRKQITGST-OCCSQVGLSA-N 1 2 294.399 1.078 20 30 CDEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1C[C@H](O)CCC ZINC001252781930 951632770 /nfs/dbraw/zinc/63/27/70/951632770.db2.gz YKOJLHRKQITGST-OCCSQVGLSA-N 1 2 294.399 1.078 20 30 CDEDLO CCC[N@@H+](CC(=O)OCC)C[C@@H](O)c1cccc(C#N)c1 ZINC001363202584 971970273 /nfs/dbraw/zinc/97/02/73/971970273.db2.gz XAHSSIXMNNFGTP-OAHLLOKOSA-N 1 2 290.363 1.867 20 30 CDEDLO CCC[N@H+](CC(=O)OCC)C[C@@H](O)c1cccc(C#N)c1 ZINC001363202584 971970300 /nfs/dbraw/zinc/97/03/00/971970300.db2.gz XAHSSIXMNNFGTP-OAHLLOKOSA-N 1 2 290.363 1.867 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)[C@H](CC#N)c1ccccc1 ZINC001363957296 954074761 /nfs/dbraw/zinc/07/47/61/954074761.db2.gz GRLBMWUJZDKNNV-CQSZACIVSA-N 1 2 282.347 1.776 20 30 CDEDLO N#C[C@]1(C(=O)NCCc2[nH]cc[nH+]2)CC12CCCC2 ZINC001293565940 954386434 /nfs/dbraw/zinc/38/64/34/954386434.db2.gz QUKIEFFUUBRETJ-AWEZNQCLSA-N 1 2 258.325 1.542 20 30 CDEDLO C[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1ccn(C)n1 ZINC001326613915 954456423 /nfs/dbraw/zinc/45/64/23/954456423.db2.gz JXMGEKYKDYJOSI-SNVBAGLBSA-N 1 2 281.323 1.185 20 30 CDEDLO C=C(CC)CNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001327757026 955030746 /nfs/dbraw/zinc/03/07/46/955030746.db2.gz AQEWNGJUFDIDLP-CYBMUJFWSA-N 1 2 290.367 1.129 20 30 CDEDLO C=CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)OCC ZINC001328351741 955271637 /nfs/dbraw/zinc/27/16/37/955271637.db2.gz WPLWARKVFIHXCL-IJLUTSLNSA-N 1 2 291.351 1.148 20 30 CDEDLO C=CCN(C(=O)[C@H](C)n1cc[nH+]c1)[C@H](C)COC ZINC001328392678 955283285 /nfs/dbraw/zinc/28/32/85/955283285.db2.gz YUNJFAIODLOZLY-NEPJUHHUSA-N 1 2 251.330 1.494 20 30 CDEDLO C#C[C@@H](CO)[NH2+]Cc1cc(C(=O)OC)ccc1Cl ZINC001308884010 956592403 /nfs/dbraw/zinc/59/24/03/956592403.db2.gz XTHBSYQNGGOKCE-NSHDSACASA-N 1 2 267.712 1.210 20 30 CDEDLO C#C[C@H](NC(=O)NCc1ccc[nH+]c1N)c1ccc(F)cc1 ZINC001312935067 956829654 /nfs/dbraw/zinc/82/96/54/956829654.db2.gz WFCKHZJXBWWESP-AWEZNQCLSA-N 1 2 298.321 1.977 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cc(C)cs1 ZINC001333301782 958224826 /nfs/dbraw/zinc/22/48/26/958224826.db2.gz IVXVYNNQBCPGTK-ZDUSSCGKSA-N 1 2 262.378 1.770 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cc(C)cs1 ZINC001333301782 958224838 /nfs/dbraw/zinc/22/48/38/958224838.db2.gz IVXVYNNQBCPGTK-ZDUSSCGKSA-N 1 2 262.378 1.770 20 30 CDEDLO C#Cc1ccc(NC(=O)NCC[N@H+]2CCOC[C@H]2C)cc1 ZINC001336483771 960363935 /nfs/dbraw/zinc/36/39/35/960363935.db2.gz VQRWRZKERXOMFG-CYBMUJFWSA-N 1 2 287.363 1.510 20 30 CDEDLO C#Cc1ccc(NC(=O)NCC[N@@H+]2CCOC[C@H]2C)cc1 ZINC001336483771 960363944 /nfs/dbraw/zinc/36/39/44/960363944.db2.gz VQRWRZKERXOMFG-CYBMUJFWSA-N 1 2 287.363 1.510 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnc(OC)nc1 ZINC001418574741 960742459 /nfs/dbraw/zinc/74/24/59/960742459.db2.gz KJGMDVCCMCCQET-UHFFFAOYSA-N 1 2 298.774 1.289 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnc(OC)nc1 ZINC001418574741 960742469 /nfs/dbraw/zinc/74/24/69/960742469.db2.gz KJGMDVCCMCCQET-UHFFFAOYSA-N 1 2 298.774 1.289 20 30 CDEDLO Cc1nc([C@@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@@H](C)C#N)C2)no1 ZINC001418690665 960911851 /nfs/dbraw/zinc/91/18/51/960911851.db2.gz WYCRQWVWCLGBQE-QCMRWSPLSA-N 1 2 291.355 1.083 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(CCOC)CC2)C1 ZINC001419174552 961470747 /nfs/dbraw/zinc/47/07/47/961470747.db2.gz HTKVKTJOKWXFQT-LBPRGKRZSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(CCOC)CC2)C1 ZINC001419174552 961470755 /nfs/dbraw/zinc/47/07/55/961470755.db2.gz HTKVKTJOKWXFQT-LBPRGKRZSA-N 1 2 286.803 1.746 20 30 CDEDLO Cc1ccc(C[NH+]2CCN(C(=O)[C@H](C)C#N)CC2)cc1 ZINC001434856351 962006467 /nfs/dbraw/zinc/00/64/67/962006467.db2.gz ZGCWYCFAJSXHFP-CQSZACIVSA-N 1 2 271.364 1.799 20 30 CDEDLO Cn1c(C#N)ccc1C(=O)Nc1cccc2[nH+]ccn21 ZINC001435149937 962036261 /nfs/dbraw/zinc/03/62/61/962036261.db2.gz MFJJARXVTDXEDX-UHFFFAOYSA-N 1 2 265.276 1.797 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1ccn(CC)n1 ZINC001440923740 964263430 /nfs/dbraw/zinc/26/34/30/964263430.db2.gz CPHCYRPKOWGJJS-GFCCVEGCSA-N 1 2 298.818 1.635 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1ccn(CC)n1 ZINC001440923740 964263438 /nfs/dbraw/zinc/26/34/38/964263438.db2.gz CPHCYRPKOWGJJS-GFCCVEGCSA-N 1 2 298.818 1.635 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCc2ccn(C)n2)C1 ZINC001443669875 965556398 /nfs/dbraw/zinc/55/63/98/965556398.db2.gz QIEYYMRTBHHVMS-UHFFFAOYSA-N 1 2 296.802 1.153 20 30 CDEDLO C#CCCN(CC(F)(F)F)C(=O)CCc1[nH+]ccn1C ZINC001349445465 966350704 /nfs/dbraw/zinc/35/07/04/966350704.db2.gz ZOUFDPAZDULQFY-UHFFFAOYSA-N 1 2 287.285 1.767 20 30 CDEDLO C=CC[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(=O)OCC ZINC001350958579 966811412 /nfs/dbraw/zinc/81/14/12/966811412.db2.gz ZZMVUGJBURXPQK-YPMHNXCESA-N 1 2 291.351 1.070 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1cncs1 ZINC001448042762 966975563 /nfs/dbraw/zinc/97/55/63/966975563.db2.gz PBWFDSDMKQJESI-JTQLQIEISA-N 1 2 287.816 1.875 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1cncs1 ZINC001448042762 966975568 /nfs/dbraw/zinc/97/55/68/966975568.db2.gz PBWFDSDMKQJESI-JTQLQIEISA-N 1 2 287.816 1.875 20 30 CDEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2CCC[N@@H+]2C)n1CCOC ZINC001355709288 969250621 /nfs/dbraw/zinc/25/06/21/969250621.db2.gz QXPPPUSYSPJKSL-STQMWFEESA-N 1 2 291.399 1.149 20 30 CDEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2CCC[N@H+]2C)n1CCOC ZINC001355709288 969250629 /nfs/dbraw/zinc/25/06/29/969250629.db2.gz QXPPPUSYSPJKSL-STQMWFEESA-N 1 2 291.399 1.149 20 30 CDEDLO C=CCN(C)c1nnc([C@H]2CCCC[N@@H+]2C)n1CCOC ZINC001358262470 969714341 /nfs/dbraw/zinc/71/43/41/969714341.db2.gz DWHBUVGOZOTHON-CYBMUJFWSA-N 1 2 293.415 1.704 20 30 CDEDLO C=CCN(C)c1nnc([C@H]2CCCC[N@H+]2C)n1CCOC ZINC001358262470 969714347 /nfs/dbraw/zinc/71/43/47/969714347.db2.gz DWHBUVGOZOTHON-CYBMUJFWSA-N 1 2 293.415 1.704 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1nn(C)cc1C ZINC001498283189 973807745 /nfs/dbraw/zinc/80/77/45/973807745.db2.gz VSTULTVNSDWAJZ-NSHDSACASA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1nn(C)cc1C ZINC001498283189 973807755 /nfs/dbraw/zinc/80/77/55/973807755.db2.gz VSTULTVNSDWAJZ-NSHDSACASA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1n[nH]cc1C ZINC001375050451 974241254 /nfs/dbraw/zinc/24/12/54/974241254.db2.gz TYBJMEREGACKJK-JTQLQIEISA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1n[nH]cc1C ZINC001375050451 974241258 /nfs/dbraw/zinc/24/12/58/974241258.db2.gz TYBJMEREGACKJK-JTQLQIEISA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccc(C(N)=O)o1 ZINC001377324225 974975397 /nfs/dbraw/zinc/97/53/97/974975397.db2.gz GCYHKJMXXCKQAW-UHFFFAOYSA-N 1 2 299.758 1.183 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccc(C(N)=O)o1 ZINC001377324225 974975400 /nfs/dbraw/zinc/97/54/00/974975400.db2.gz GCYHKJMXXCKQAW-UHFFFAOYSA-N 1 2 299.758 1.183 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCOC)[C@H]1C ZINC001507367767 975429651 /nfs/dbraw/zinc/42/96/51/975429651.db2.gz OFXXVQWAUWRFLS-VXGBXAGGSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCOC)[C@H]1C ZINC001507367767 975429654 /nfs/dbraw/zinc/42/96/54/975429654.db2.gz OFXXVQWAUWRFLS-VXGBXAGGSA-N 1 2 274.792 1.745 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)C1CC[NH+](Cc2cscn2)CC1 ZINC001389326975 975771207 /nfs/dbraw/zinc/77/12/07/975771207.db2.gz DOWXTJUURAZNGL-LLVKDONJSA-N 1 2 292.408 1.726 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1coc(C)n1 ZINC001381521099 976890499 /nfs/dbraw/zinc/89/04/99/976890499.db2.gz UDMRGQWFBTUDQB-SECBINFHSA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1coc(C)n1 ZINC001381521099 976890510 /nfs/dbraw/zinc/89/05/10/976890510.db2.gz UDMRGQWFBTUDQB-SECBINFHSA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(F)c[nH]1 ZINC001392670780 977537931 /nfs/dbraw/zinc/53/79/31/977537931.db2.gz JBTDXDXRLVWECO-SECBINFHSA-N 1 2 273.739 1.956 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(F)c[nH]1 ZINC001392670780 977537938 /nfs/dbraw/zinc/53/79/38/977537938.db2.gz JBTDXDXRLVWECO-SECBINFHSA-N 1 2 273.739 1.956 20 30 CDEDLO C#CCCCCCC(=O)NCC[NH2+]Cc1ncccn1 ZINC001132398704 1163267251 /nfs/dbraw/zinc/26/72/51/1163267251.db2.gz LHHNSGAJFPXIJQ-UHFFFAOYSA-N 1 2 274.368 1.266 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001132649686 1163424514 /nfs/dbraw/zinc/42/45/14/1163424514.db2.gz AHBMVXSWLXWMJM-SNVBAGLBSA-N 1 2 266.345 1.186 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001132670800 1163433479 /nfs/dbraw/zinc/43/34/79/1163433479.db2.gz BBQIHNCJIMPNBF-ZYHUDNBSSA-N 1 2 280.372 1.747 20 30 CDEDLO C#CCCCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1c[nH]nn1 ZINC001574867802 1171031777 /nfs/dbraw/zinc/03/17/77/1171031777.db2.gz YZHLDZNHHMDVKI-OLZOCXBDSA-N 1 2 291.399 1.371 20 30 CDEDLO C#CCCCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cn[nH]n1 ZINC001574867802 1171031784 /nfs/dbraw/zinc/03/17/84/1171031784.db2.gz YZHLDZNHHMDVKI-OLZOCXBDSA-N 1 2 291.399 1.371 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1c[nH]nn1 ZINC001575078195 1171106301 /nfs/dbraw/zinc/10/63/01/1171106301.db2.gz HEZWYIHWQNYCSG-VXGBXAGGSA-N 1 2 293.415 1.780 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cn[nH]n1 ZINC001575078195 1171106306 /nfs/dbraw/zinc/10/63/06/1171106306.db2.gz HEZWYIHWQNYCSG-VXGBXAGGSA-N 1 2 293.415 1.780 20 30 CDEDLO C[C@H](C(=O)NCc1ccco1)[NH+]1CCC(C#N)CC1 ZINC000070217603 1171651021 /nfs/dbraw/zinc/65/10/21/1171651021.db2.gz SWPJYLXSZIINLO-LLVKDONJSA-N 1 2 261.325 1.520 20 30 CDEDLO N#Cc1ccnc(N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000587866724 342486971 /nfs/dbraw/zinc/48/69/71/342486971.db2.gz RGPBMCBVGZROGX-ZDUSSCGKSA-N 1 2 253.309 1.991 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccc(F)cc1 ZINC000589826989 342514861 /nfs/dbraw/zinc/51/48/61/342514861.db2.gz VBTPWIWYXCILQZ-CQSZACIVSA-N 1 2 263.316 1.328 20 30 CDEDLO CCCc1nc(C)c(C[NH+]2CCN(CCC#N)CC2)o1 ZINC000589988522 342518822 /nfs/dbraw/zinc/51/88/22/342518822.db2.gz LWABYFAFQGUZIA-UHFFFAOYSA-N 1 2 276.384 1.967 20 30 CDEDLO C[C@H]1C[N@H+](CCOCCC#N)C[C@H](C(F)(F)F)O1 ZINC000590162475 342523627 /nfs/dbraw/zinc/52/36/27/342523627.db2.gz MZXXWZLPEQYPIF-VHSXEESVSA-N 1 2 266.263 1.568 20 30 CDEDLO C[C@H]1C[N@@H+](CCOCCC#N)C[C@H](C(F)(F)F)O1 ZINC000590162475 342523628 /nfs/dbraw/zinc/52/36/28/342523628.db2.gz MZXXWZLPEQYPIF-VHSXEESVSA-N 1 2 266.263 1.568 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000124763988 187152412 /nfs/dbraw/zinc/15/24/12/187152412.db2.gz ALMBXTYPNBEBDL-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO CC(=O)N1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC000599257400 343990045 /nfs/dbraw/zinc/99/00/45/343990045.db2.gz MKUJSRWTJJWTLY-UHFFFAOYSA-N 1 2 257.337 1.531 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000609030844 342087640 /nfs/dbraw/zinc/08/76/40/342087640.db2.gz OLQODJFHWGHVML-OLZOCXBDSA-N 1 2 271.364 1.852 20 30 CDEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H](C)C2CCC2)c1C#N ZINC000591014452 342613397 /nfs/dbraw/zinc/61/33/97/342613397.db2.gz VPPGKSPNBKEVMU-JTQLQIEISA-N 1 2 289.383 1.230 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000591053700 342616183 /nfs/dbraw/zinc/61/61/83/342616183.db2.gz AKOBLXJIZOIRQA-CHWSQXEVSA-N 1 2 280.368 1.191 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000591053700 342616184 /nfs/dbraw/zinc/61/61/84/342616184.db2.gz AKOBLXJIZOIRQA-CHWSQXEVSA-N 1 2 280.368 1.191 20 30 CDEDLO CCC(C#N)(CC)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000599281817 343996985 /nfs/dbraw/zinc/99/69/85/343996985.db2.gz WIOVYZDRDMWOSK-UHFFFAOYSA-N 1 2 267.373 1.107 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CCC(C)(C)C1 ZINC000580333599 342616947 /nfs/dbraw/zinc/61/69/47/342616947.db2.gz WXDPNJSIKWZCAX-FZMZJTMJSA-N 1 2 251.374 1.773 20 30 CDEDLO CC[NH+](CC)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290243992 197643921 /nfs/dbraw/zinc/64/39/21/197643921.db2.gz JJDZWAFMKDNRDO-UHFFFAOYSA-N 1 2 267.354 1.069 20 30 CDEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000351646200 361833501 /nfs/dbraw/zinc/83/35/01/361833501.db2.gz ZLVANXKWTNUDRT-UONOGXRCSA-N 1 2 292.383 1.142 20 30 CDEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000351646200 361833507 /nfs/dbraw/zinc/83/35/07/361833507.db2.gz ZLVANXKWTNUDRT-UONOGXRCSA-N 1 2 292.383 1.142 20 30 CDEDLO CCc1nc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cs1 ZINC000592146805 342673619 /nfs/dbraw/zinc/67/36/19/342673619.db2.gz GHRUMILNYRCCQW-LBPRGKRZSA-N 1 2 251.355 1.556 20 30 CDEDLO CCc1nc(C[N@H+]2CC[C@@](O)(CC#N)C2)cs1 ZINC000592146805 342673620 /nfs/dbraw/zinc/67/36/20/342673620.db2.gz GHRUMILNYRCCQW-LBPRGKRZSA-N 1 2 251.355 1.556 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000592204905 342677400 /nfs/dbraw/zinc/67/74/00/342677400.db2.gz BGBOUJSWVIXCGJ-CHWSQXEVSA-N 1 2 292.310 1.053 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000592204905 342677401 /nfs/dbraw/zinc/67/74/01/342677401.db2.gz BGBOUJSWVIXCGJ-CHWSQXEVSA-N 1 2 292.310 1.053 20 30 CDEDLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)cc1F ZINC000592147486 342667995 /nfs/dbraw/zinc/66/79/95/342667995.db2.gz PAVAUUCTHNMFED-OAHLLOKOSA-N 1 2 291.326 1.423 20 30 CDEDLO Cc1ccc(NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1F ZINC000592147486 342667996 /nfs/dbraw/zinc/66/79/96/342667996.db2.gz PAVAUUCTHNMFED-OAHLLOKOSA-N 1 2 291.326 1.423 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000592525817 342703058 /nfs/dbraw/zinc/70/30/58/342703058.db2.gz SRMDRWMBGQOJLW-AWEZNQCLSA-N 1 2 258.325 1.204 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000592525817 342703059 /nfs/dbraw/zinc/70/30/59/342703059.db2.gz SRMDRWMBGQOJLW-AWEZNQCLSA-N 1 2 258.325 1.204 20 30 CDEDLO CCC[N@H+](CC(=O)OC)Cc1ccc(OC)c(C#N)c1 ZINC000087832718 361860407 /nfs/dbraw/zinc/86/04/07/361860407.db2.gz IVPREVBMLVBOPB-UHFFFAOYSA-N 1 2 276.336 1.952 20 30 CDEDLO CCC[N@@H+](CC(=O)OC)Cc1ccc(OC)c(C#N)c1 ZINC000087832718 361860411 /nfs/dbraw/zinc/86/04/11/361860411.db2.gz IVPREVBMLVBOPB-UHFFFAOYSA-N 1 2 276.336 1.952 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(C(C)C)nc2)C1=O ZINC000440476401 361876201 /nfs/dbraw/zinc/87/62/01/361876201.db2.gz VMDQLSRYCMMUNL-AWEZNQCLSA-N 1 2 288.395 1.819 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(C(C)C)nc2)C1=O ZINC000440476401 361876207 /nfs/dbraw/zinc/87/62/07/361876207.db2.gz VMDQLSRYCMMUNL-AWEZNQCLSA-N 1 2 288.395 1.819 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(C2CC2)no1 ZINC000593153156 342773878 /nfs/dbraw/zinc/77/38/78/342773878.db2.gz LDASPNJURZZHOL-ZDUSSCGKSA-N 1 2 262.313 1.126 20 30 CDEDLO Cc1nc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)sc1C ZINC000593153018 342773968 /nfs/dbraw/zinc/77/39/68/342773968.db2.gz DGLDMOOEUYZNDW-LBPRGKRZSA-N 1 2 266.370 1.334 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(OCC#N)c1 ZINC000048509386 342233007 /nfs/dbraw/zinc/23/30/07/342233007.db2.gz XMGZVOZEBKUXJY-GFCCVEGCSA-N 1 2 299.334 1.996 20 30 CDEDLO C[C@@H](Nc1c(C#N)cccc1C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000302885956 539099369 /nfs/dbraw/zinc/09/93/69/539099369.db2.gz MTVAROHPZBBDGD-CHWSQXEVSA-N 1 2 284.363 1.951 20 30 CDEDLO N#Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609383929 342266911 /nfs/dbraw/zinc/26/69/11/342266911.db2.gz MQAANVIZJDMPQF-GFCCVEGCSA-N 1 2 298.306 1.899 20 30 CDEDLO Cc1ccc(C[NH+]2CCN([C@H]3CCOC3)CC2)cc1C#N ZINC000599339874 344013025 /nfs/dbraw/zinc/01/30/25/344013025.db2.gz NXBXTJKRHNZGKQ-KRWDZBQOSA-N 1 2 285.391 1.773 20 30 CDEDLO Cc1cnc(SC[C@@H](O)C[N@H+](C)CCC#N)c(C)c1 ZINC000594733078 342949499 /nfs/dbraw/zinc/94/94/99/342949499.db2.gz QSFRDCLOYHOSDX-ZDUSSCGKSA-N 1 2 279.409 1.997 20 30 CDEDLO Cc1cnc(SC[C@@H](O)C[N@@H+](C)CCC#N)c(C)c1 ZINC000594733078 342949502 /nfs/dbraw/zinc/94/95/02/342949502.db2.gz QSFRDCLOYHOSDX-ZDUSSCGKSA-N 1 2 279.409 1.997 20 30 CDEDLO CO[C@@H](C[N@H+](CCC#N)Cc1cccnc1)[C@H]1CCOC1 ZINC000595339392 343030178 /nfs/dbraw/zinc/03/01/78/343030178.db2.gz NZOSVVZXWVKCDL-HOTGVXAUSA-N 1 2 289.379 1.849 20 30 CDEDLO CO[C@@H](C[N@@H+](CCC#N)Cc1cccnc1)[C@H]1CCOC1 ZINC000595339392 343030181 /nfs/dbraw/zinc/03/01/81/343030181.db2.gz NZOSVVZXWVKCDL-HOTGVXAUSA-N 1 2 289.379 1.849 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H](C)CC1CCC1)C(=O)OC ZINC000619509446 349781244 /nfs/dbraw/zinc/78/12/44/349781244.db2.gz RUCJLCKWRDMYED-YPMHNXCESA-N 1 2 255.358 1.899 20 30 CDEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595319382 343034861 /nfs/dbraw/zinc/03/48/61/343034861.db2.gz ADAHVRGEEUNJFQ-VPZZIHKRSA-N 1 2 276.405 1.942 20 30 CDEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595319382 343034862 /nfs/dbraw/zinc/03/48/62/343034862.db2.gz ADAHVRGEEUNJFQ-VPZZIHKRSA-N 1 2 276.405 1.942 20 30 CDEDLO C[C@@H]1CN(CC[N@@H+]2CCC[C@@](C)(C#N)C2)C[C@H](C)O1 ZINC000595427198 343056922 /nfs/dbraw/zinc/05/69/22/343056922.db2.gz SLUHMHLCUBELPW-ZNMIVQPWSA-N 1 2 265.401 1.721 20 30 CDEDLO C[C@@H]1CN(CC[N@H+]2CCC[C@@](C)(C#N)C2)C[C@H](C)O1 ZINC000595427198 343056923 /nfs/dbraw/zinc/05/69/23/343056923.db2.gz SLUHMHLCUBELPW-ZNMIVQPWSA-N 1 2 265.401 1.721 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N[C@@H](C)Cc1ccccc1C ZINC000076185534 342319916 /nfs/dbraw/zinc/31/99/16/342319916.db2.gz CFRZJKFJPZVREG-INIZCTEOSA-N 1 2 282.387 1.611 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2nccs2)C1 ZINC000595615250 343109535 /nfs/dbraw/zinc/10/95/35/343109535.db2.gz LLJDFWIUBPFLAJ-JTQLQIEISA-N 1 2 264.354 1.707 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2nccs2)C1 ZINC000595615250 343109537 /nfs/dbraw/zinc/10/95/37/343109537.db2.gz LLJDFWIUBPFLAJ-JTQLQIEISA-N 1 2 264.354 1.707 20 30 CDEDLO Cc1csc(C[NH+]2CCN(CCC#N)CC2)n1 ZINC000609432086 342343947 /nfs/dbraw/zinc/34/39/47/342343947.db2.gz AGEXXSRMFQTZTK-UHFFFAOYSA-N 1 2 250.371 1.483 20 30 CDEDLO COC(=O)[C@](C)([NH2+]CCOc1ccc(C#N)cc1)C1CC1 ZINC000535051451 282232284 /nfs/dbraw/zinc/23/22/84/282232284.db2.gz VIYZKGCQEUANKX-MRXNPFEDSA-N 1 2 288.347 1.868 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000084183406 342378327 /nfs/dbraw/zinc/37/83/27/342378327.db2.gz PYDXFBNTFWFQKE-UHFFFAOYSA-N 1 2 273.361 1.401 20 30 CDEDLO COCC[N@H+](CCC#N)CCC(=O)Nc1cc(C)on1 ZINC000072689219 349811713 /nfs/dbraw/zinc/81/17/13/349811713.db2.gz BUTGXMSONIRMLZ-UHFFFAOYSA-N 1 2 280.328 1.174 20 30 CDEDLO COCC[N@@H+](CCC#N)CCC(=O)Nc1cc(C)on1 ZINC000072689219 349811715 /nfs/dbraw/zinc/81/17/15/349811715.db2.gz BUTGXMSONIRMLZ-UHFFFAOYSA-N 1 2 280.328 1.174 20 30 CDEDLO C=C(C)CNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000156647530 136386013 /nfs/dbraw/zinc/38/60/13/136386013.db2.gz DYEZVXHPBYVOMA-UHFFFAOYSA-N 1 2 290.367 1.294 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC(C)(C)CC#N ZINC000597763024 343637370 /nfs/dbraw/zinc/63/73/70/343637370.db2.gz LPWUCUFHIXXFDQ-GHMZBOCLSA-N 1 2 260.341 1.580 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)c2cccc(C#N)c2)[C@@H](C)CO1 ZINC000597996632 343684854 /nfs/dbraw/zinc/68/48/54/343684854.db2.gz KJNMVQIOXJZJMG-STQMWFEESA-N 1 2 287.363 1.397 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)c2cccc(C#N)c2)[C@@H](C)CO1 ZINC000597996632 343684855 /nfs/dbraw/zinc/68/48/55/343684855.db2.gz KJNMVQIOXJZJMG-STQMWFEESA-N 1 2 287.363 1.397 20 30 CDEDLO COC(=O)C1([NH2+]C[C@@H](O)CC(C)(C)C#N)CCCCC1 ZINC000598592186 343838093 /nfs/dbraw/zinc/83/80/93/343838093.db2.gz HGROIVZWSIKSPO-LBPRGKRZSA-N 1 2 282.384 1.753 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000598592568 343839125 /nfs/dbraw/zinc/83/91/25/343839125.db2.gz MIZRVUVVVLGCRQ-NXEZZACHSA-N 1 2 280.290 1.550 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000598592568 343839126 /nfs/dbraw/zinc/83/91/26/343839126.db2.gz MIZRVUVVVLGCRQ-NXEZZACHSA-N 1 2 280.290 1.550 20 30 CDEDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598628411 343848537 /nfs/dbraw/zinc/84/85/37/343848537.db2.gz TYURCUNDFYTBRI-GMTAPVOTSA-N 1 2 294.317 1.939 20 30 CDEDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598628411 343848538 /nfs/dbraw/zinc/84/85/38/343848538.db2.gz TYURCUNDFYTBRI-GMTAPVOTSA-N 1 2 294.317 1.939 20 30 CDEDLO N#Cc1cc(NC[C@@H]2CCC[N@H+]2CC(F)F)ccn1 ZINC000599134569 343958198 /nfs/dbraw/zinc/95/81/98/343958198.db2.gz WYLBJAAMYIUDJE-LBPRGKRZSA-N 1 2 266.295 1.517 20 30 CDEDLO N#Cc1cc(NC[C@@H]2CCC[N@@H+]2CC(F)F)ccn1 ZINC000599134569 343958199 /nfs/dbraw/zinc/95/81/99/343958199.db2.gz WYLBJAAMYIUDJE-LBPRGKRZSA-N 1 2 266.295 1.517 20 30 CDEDLO N#CC1(C(=O)N2CC[NH+](CCc3ccncc3)CC2)CCC1 ZINC000602200530 344373736 /nfs/dbraw/zinc/37/37/36/344373736.db2.gz SWOWYGXCYYJZFP-UHFFFAOYSA-N 1 2 298.390 1.462 20 30 CDEDLO C=CCC[C@H]([NH2+][C@H](C)Cn1cncn1)C(=O)OCC ZINC000602682851 344528960 /nfs/dbraw/zinc/52/89/60/344528960.db2.gz SMCNCVXEYDGKRO-NEPJUHHUSA-N 1 2 266.345 1.154 20 30 CDEDLO CCOC(=O)[C@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CCCOC1 ZINC000602804397 344592607 /nfs/dbraw/zinc/59/26/07/344592607.db2.gz FGZNLWWYGATSCL-CHWSQXEVSA-N 1 2 280.368 1.628 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccn2)C1 ZINC000602883662 344634005 /nfs/dbraw/zinc/63/40/05/344634005.db2.gz KIXWKKXVXFFWHJ-LBPRGKRZSA-N 1 2 258.325 1.646 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccn2)C1 ZINC000602883662 344634006 /nfs/dbraw/zinc/63/40/06/344634006.db2.gz KIXWKKXVXFFWHJ-LBPRGKRZSA-N 1 2 258.325 1.646 20 30 CDEDLO Cc1ccccc1CN(C)C(=O)C[NH2+][C@@H](C)CC#N ZINC000602863668 344637528 /nfs/dbraw/zinc/63/75/28/344637528.db2.gz PHCMOCVOPHMCQO-ZDUSSCGKSA-N 1 2 259.353 1.845 20 30 CDEDLO COC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)CC#N)cc1 ZINC000602870861 344641242 /nfs/dbraw/zinc/64/12/42/344641242.db2.gz XXVYBEBSGSVNHO-SNVBAGLBSA-N 1 2 275.308 1.303 20 30 CDEDLO Cc1c(-c2cc(C[NH2+][C@@H](C)CC#N)on2)cnn1C ZINC000602871484 344641520 /nfs/dbraw/zinc/64/15/20/344641520.db2.gz SACTVEAKOOMQCW-VIFPVBQESA-N 1 2 259.313 1.775 20 30 CDEDLO C[C@@]1(C#N)CCC[N@H+](CCN2C(=O)c3ccccc3C2=O)C1 ZINC000612166741 347068216 /nfs/dbraw/zinc/06/82/16/347068216.db2.gz RQSOYAAUBQXYHI-KRWDZBQOSA-N 1 2 297.358 1.908 20 30 CDEDLO C[C@@]1(C#N)CCC[N@@H+](CCN2C(=O)c3ccccc3C2=O)C1 ZINC000612166741 347068217 /nfs/dbraw/zinc/06/82/17/347068217.db2.gz RQSOYAAUBQXYHI-KRWDZBQOSA-N 1 2 297.358 1.908 20 30 CDEDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166730 347068257 /nfs/dbraw/zinc/06/82/57/347068257.db2.gz RNEFTMWPZDYEFO-RISCZKNCSA-N 1 2 251.374 1.915 20 30 CDEDLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166730 347068259 /nfs/dbraw/zinc/06/82/59/347068259.db2.gz RNEFTMWPZDYEFO-RISCZKNCSA-N 1 2 251.374 1.915 20 30 CDEDLO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612166975 347068383 /nfs/dbraw/zinc/06/83/83/347068383.db2.gz TZOSFRWYZRPICE-TZMCWYRMSA-N 1 2 251.374 1.869 20 30 CDEDLO CCN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612166975 347068386 /nfs/dbraw/zinc/06/83/86/347068386.db2.gz TZOSFRWYZRPICE-TZMCWYRMSA-N 1 2 251.374 1.869 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000289917474 362502906 /nfs/dbraw/zinc/50/29/06/362502906.db2.gz SCWRMMWJWMQFHF-ZCFIWIBFSA-N 1 2 252.261 1.798 20 30 CDEDLO N#CCCC[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000052239924 345236313 /nfs/dbraw/zinc/23/63/13/345236313.db2.gz TYDRXPPKZYHHNX-UHFFFAOYSA-N 1 2 263.366 1.810 20 30 CDEDLO CC1CC(C#N)(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000382677663 345243380 /nfs/dbraw/zinc/24/33/80/345243380.db2.gz ZGFCRNMXAOYOCV-NPCAHTBFSA-N 1 2 291.395 1.249 20 30 CDEDLO CC[N@H+](CCC#N)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000081513593 345620958 /nfs/dbraw/zinc/62/09/58/345620958.db2.gz ICUXSWIOXRUUDR-CYBMUJFWSA-N 1 2 265.357 1.002 20 30 CDEDLO CC[N@@H+](CCC#N)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000081513593 345620961 /nfs/dbraw/zinc/62/09/61/345620961.db2.gz ICUXSWIOXRUUDR-CYBMUJFWSA-N 1 2 265.357 1.002 20 30 CDEDLO C=CC[C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CC)C1 ZINC000617781099 345970904 /nfs/dbraw/zinc/97/09/04/345970904.db2.gz FAYNBDGBDPZYJG-ZIAGYGMSSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CC)C1 ZINC000617781099 345970905 /nfs/dbraw/zinc/97/09/05/345970905.db2.gz FAYNBDGBDPZYJG-ZIAGYGMSSA-N 1 2 266.385 1.522 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623302787 346021110 /nfs/dbraw/zinc/02/11/10/346021110.db2.gz PCDZFJLDIQLZDK-DOMZBBRYSA-N 1 2 277.368 1.543 20 30 CDEDLO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)CC#N)C1=O ZINC000610681682 346356781 /nfs/dbraw/zinc/35/67/81/346356781.db2.gz DZBIDCDMDDMMHT-NEPJUHHUSA-N 1 2 273.336 1.692 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(=O)n2c(C)csc2n1 ZINC000584728259 346421015 /nfs/dbraw/zinc/42/10/15/346421015.db2.gz GRJLEXLEOCIJTD-JTQLQIEISA-N 1 2 276.365 1.846 20 30 CDEDLO CCC[C@H](C(=O)OCC)[NH+]1CCN(CCC#N)CC1 ZINC000611174743 346627695 /nfs/dbraw/zinc/62/76/95/346627695.db2.gz LYQLKPMHKXCSFZ-CYBMUJFWSA-N 1 2 267.373 1.249 20 30 CDEDLO CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611174791 346627901 /nfs/dbraw/zinc/62/79/01/346627901.db2.gz MXKBJSSDLYZJQL-ZIAGYGMSSA-N 1 2 280.416 1.211 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611175295 346628572 /nfs/dbraw/zinc/62/85/72/346628572.db2.gz CYLGCSGHVKHRSG-HNNXBMFYSA-N 1 2 292.427 1.331 20 30 CDEDLO CCc1nsc(N2CCC[N@H+](CC3(C#N)CC3)CC2)n1 ZINC000611429992 346786765 /nfs/dbraw/zinc/78/67/65/346786765.db2.gz NRTZLUUTTNKBKS-UHFFFAOYSA-N 1 2 291.424 1.916 20 30 CDEDLO CCc1nsc(N2CCC[N@@H+](CC3(C#N)CC3)CC2)n1 ZINC000611429992 346786768 /nfs/dbraw/zinc/78/67/68/346786768.db2.gz NRTZLUUTTNKBKS-UHFFFAOYSA-N 1 2 291.424 1.916 20 30 CDEDLO C[C@H]([NH2+]Cc1nnnn1C1CC1)c1ccc(C#N)c(F)c1 ZINC000611465985 346791133 /nfs/dbraw/zinc/79/11/33/346791133.db2.gz BLMXODJHZCWNTJ-VIFPVBQESA-N 1 2 286.314 1.870 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000189455460 365946767 /nfs/dbraw/zinc/94/67/67/365946767.db2.gz XROUIODWEIEQFX-KGLIPLIRSA-N 1 2 284.400 1.147 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000189455460 365946771 /nfs/dbraw/zinc/94/67/71/365946771.db2.gz XROUIODWEIEQFX-KGLIPLIRSA-N 1 2 284.400 1.147 20 30 CDEDLO C=C[C@@H](C(=O)OC)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000619718823 348189670 /nfs/dbraw/zinc/18/96/70/348189670.db2.gz ABACXLNRPZTTPN-HNNXBMFYSA-N 1 2 292.354 1.671 20 30 CDEDLO CCC(=O)c1ccccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414147144 362923041 /nfs/dbraw/zinc/92/30/41/362923041.db2.gz RBWZXCVIEGMEHU-ZDUSSCGKSA-N 1 2 290.363 1.864 20 30 CDEDLO CCC(=O)c1ccccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414147144 362923047 /nfs/dbraw/zinc/92/30/47/362923047.db2.gz RBWZXCVIEGMEHU-ZDUSSCGKSA-N 1 2 290.363 1.864 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2c(C)noc2C)CC1 ZINC000064443549 348940986 /nfs/dbraw/zinc/94/09/86/348940986.db2.gz ZUSYYHBQBKVACX-UHFFFAOYSA-N 1 2 261.325 1.073 20 30 CDEDLO N#CCN(C(=O)Cc1cn2ccccc2[nH+]1)C1CC1 ZINC000064947638 348949574 /nfs/dbraw/zinc/94/95/74/348949574.db2.gz LCQBXTAKXQLILR-UHFFFAOYSA-N 1 2 254.293 1.391 20 30 CDEDLO N#CCC1(O)C[NH+](Cc2ccc3ncccc3c2)C1 ZINC000616140800 349309442 /nfs/dbraw/zinc/30/94/42/349309442.db2.gz APJNIPGCQDBHPK-UHFFFAOYSA-N 1 2 253.305 1.695 20 30 CDEDLO Cc1cc(CNc2ccc(-n3cncn3)c[nH+]2)ccc1C#N ZINC000618196506 349400021 /nfs/dbraw/zinc/40/00/21/349400021.db2.gz HHUBZGFEUDJJHC-UHFFFAOYSA-N 1 2 290.330 1.876 20 30 CDEDLO N#Cc1cccc(C[N@H+](CCO)Cc2cccnc2)n1 ZINC000602461955 350111204 /nfs/dbraw/zinc/11/12/04/350111204.db2.gz JIZLNTMTPUUBCI-UHFFFAOYSA-N 1 2 268.320 1.343 20 30 CDEDLO N#Cc1cccc(C[N@@H+](CCO)Cc2cccnc2)n1 ZINC000602461955 350111207 /nfs/dbraw/zinc/11/12/07/350111207.db2.gz JIZLNTMTPUUBCI-UHFFFAOYSA-N 1 2 268.320 1.343 20 30 CDEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccns2)CC1 ZINC000602673855 350140316 /nfs/dbraw/zinc/14/03/16/350140316.db2.gz UBDXWEZQRFHXRW-UHFFFAOYSA-N 1 2 285.376 1.732 20 30 CDEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1(C)C ZINC000110752023 350308698 /nfs/dbraw/zinc/30/86/98/350308698.db2.gz CUMCUTZUNSLTRL-UHFFFAOYSA-N 1 2 293.392 1.273 20 30 CDEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1(C)C ZINC000110752023 350308702 /nfs/dbraw/zinc/30/87/02/350308702.db2.gz CUMCUTZUNSLTRL-UHFFFAOYSA-N 1 2 293.392 1.273 20 30 CDEDLO COCC[N@H+](CCC#N)CCc1csc(C)n1 ZINC000124932881 351387118 /nfs/dbraw/zinc/38/71/18/351387118.db2.gz GCYARIWSQHKCHC-UHFFFAOYSA-N 1 2 253.371 1.856 20 30 CDEDLO COCC[N@@H+](CCC#N)CCc1csc(C)n1 ZINC000124932881 351387119 /nfs/dbraw/zinc/38/71/19/351387119.db2.gz GCYARIWSQHKCHC-UHFFFAOYSA-N 1 2 253.371 1.856 20 30 CDEDLO CCC[C@@H]1C(=O)NCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000152573394 188029952 /nfs/dbraw/zinc/02/99/52/188029952.db2.gz UYASQKMPIAEZDP-OAHLLOKOSA-N 1 2 287.363 1.538 20 30 CDEDLO CCC[C@@H]1C(=O)NCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000152573394 188029954 /nfs/dbraw/zinc/02/99/54/188029954.db2.gz UYASQKMPIAEZDP-OAHLLOKOSA-N 1 2 287.363 1.538 20 30 CDEDLO C[C@H]1C[C@]1(C#N)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000336248944 363228649 /nfs/dbraw/zinc/22/86/49/363228649.db2.gz CFHZNOULIRZVLD-SWLSCSKDSA-N 1 2 273.336 1.474 20 30 CDEDLO N#Cc1c(C[N@H+]2CC[C@](F)(CO)C2)cn2ccccc12 ZINC000336436240 356174322 /nfs/dbraw/zinc/17/43/22/356174322.db2.gz SOPOLCZZRZCFIN-OAHLLOKOSA-N 1 2 273.311 1.717 20 30 CDEDLO N#Cc1c(C[N@@H+]2CC[C@](F)(CO)C2)cn2ccccc12 ZINC000336436240 356174324 /nfs/dbraw/zinc/17/43/24/356174324.db2.gz SOPOLCZZRZCFIN-OAHLLOKOSA-N 1 2 273.311 1.717 20 30 CDEDLO N#Cc1c[nH]nc1NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000342725913 356148597 /nfs/dbraw/zinc/14/85/97/356148597.db2.gz AWICGUWAVGVFOK-UHFFFAOYSA-N 1 2 272.699 1.616 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCSC[C@H]2CO)c1F ZINC000336558998 356207385 /nfs/dbraw/zinc/20/73/85/356207385.db2.gz ZSEXLGADTMOWJS-GFCCVEGCSA-N 1 2 266.341 1.607 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCSC[C@H]2CO)c1F ZINC000336558998 356207388 /nfs/dbraw/zinc/20/73/88/356207388.db2.gz ZSEXLGADTMOWJS-GFCCVEGCSA-N 1 2 266.341 1.607 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H]1CCO ZINC000336815362 356283184 /nfs/dbraw/zinc/28/31/84/356283184.db2.gz ZLJDTPMYZGRIEZ-LLVKDONJSA-N 1 2 279.365 1.405 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]1CCO ZINC000336815362 356283185 /nfs/dbraw/zinc/28/31/85/356283185.db2.gz ZLJDTPMYZGRIEZ-LLVKDONJSA-N 1 2 279.365 1.405 20 30 CDEDLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[C@H]1CCO ZINC000329512132 538577342 /nfs/dbraw/zinc/57/73/42/538577342.db2.gz NITLQDJSPQTRCL-CMPLNLGQSA-N 1 2 251.330 1.850 20 30 CDEDLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[C@H]1CCO ZINC000329512132 538577349 /nfs/dbraw/zinc/57/73/49/538577349.db2.gz NITLQDJSPQTRCL-CMPLNLGQSA-N 1 2 251.330 1.850 20 30 CDEDLO O=C(CCS(=O)(=O)C1CCCC1)NCc1c[nH+]c[nH]1 ZINC000329732765 538631346 /nfs/dbraw/zinc/63/13/46/538631346.db2.gz JBIFAYYROIAJOW-UHFFFAOYSA-N 1 2 285.369 1.614 20 30 CDEDLO O=C(CCS(=O)(=O)C1CCCC1)NCc1c[nH]c[nH+]1 ZINC000329732765 538631350 /nfs/dbraw/zinc/63/13/50/538631350.db2.gz JBIFAYYROIAJOW-UHFFFAOYSA-N 1 2 285.369 1.614 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000299084530 356970563 /nfs/dbraw/zinc/97/05/63/356970563.db2.gz GXHXLBTZHJQWCN-ZIAGYGMSSA-N 1 2 264.369 1.440 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000299084530 356970566 /nfs/dbraw/zinc/97/05/66/356970566.db2.gz GXHXLBTZHJQWCN-ZIAGYGMSSA-N 1 2 264.369 1.440 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000366488021 363570293 /nfs/dbraw/zinc/57/02/93/363570293.db2.gz HNTNTSYBCJPIAA-GFCCVEGCSA-N 1 2 296.367 1.564 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000366488021 363570298 /nfs/dbraw/zinc/57/02/98/363570298.db2.gz HNTNTSYBCJPIAA-GFCCVEGCSA-N 1 2 296.367 1.564 20 30 CDEDLO C=CCNC(=O)C[N@@H+](CC)Cc1ccc(OC)cc1OC ZINC000299401562 357056811 /nfs/dbraw/zinc/05/68/11/357056811.db2.gz MDLZVCGIDYWZBL-UHFFFAOYSA-N 1 2 292.379 1.828 20 30 CDEDLO C=CCNC(=O)C[N@H+](CC)Cc1ccc(OC)cc1OC ZINC000299401562 357056814 /nfs/dbraw/zinc/05/68/14/357056814.db2.gz MDLZVCGIDYWZBL-UHFFFAOYSA-N 1 2 292.379 1.828 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)NCc1ccc(C#N)cc1 ZINC000431813623 357116142 /nfs/dbraw/zinc/11/61/42/357116142.db2.gz NMNDXFYZSLPTRP-UHFFFAOYSA-N 1 2 296.330 1.961 20 30 CDEDLO C#CCCCCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000179913800 357229538 /nfs/dbraw/zinc/22/95/38/357229538.db2.gz VKUWYGZEGLMMIV-UHFFFAOYSA-N 1 2 291.395 1.254 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C[C@@H](C#N)CCC#N)C1 ZINC000568408826 357336856 /nfs/dbraw/zinc/33/68/56/357336856.db2.gz ABUYYSKWQYPXGV-OLZOCXBDSA-N 1 2 257.341 1.653 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185162537 357516597 /nfs/dbraw/zinc/51/65/97/357516597.db2.gz DWYHMKPFQJRYFS-INIZCTEOSA-N 1 2 288.347 1.558 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185162537 357516601 /nfs/dbraw/zinc/51/66/01/357516601.db2.gz DWYHMKPFQJRYFS-INIZCTEOSA-N 1 2 288.347 1.558 20 30 CDEDLO NC(=O)N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000158086570 283298346 /nfs/dbraw/zinc/29/83/46/283298346.db2.gz OHNFJXZNYOHILF-UHFFFAOYSA-N 1 2 291.782 1.778 20 30 CDEDLO NC(=O)N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000158086570 283298349 /nfs/dbraw/zinc/29/83/49/283298349.db2.gz OHNFJXZNYOHILF-UHFFFAOYSA-N 1 2 291.782 1.778 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)CSCC[NH+]1CCOCC1 ZINC000160026570 363593276 /nfs/dbraw/zinc/59/32/76/363593276.db2.gz LCGJFKCHKQLSDW-ZDUSSCGKSA-N 1 2 299.440 1.060 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)/C=C\c1[nH+]ccn1CC ZINC000493482493 366401445 /nfs/dbraw/zinc/40/14/45/366401445.db2.gz JDJVFKLPSNNKOO-XRMAHGQMSA-N 1 2 275.352 1.766 20 30 CDEDLO C[C@@H]1C[C@H](O)C[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000401696637 358540548 /nfs/dbraw/zinc/54/05/48/358540548.db2.gz KFDJSXJUUFZGJG-KOLCDFICSA-N 1 2 279.365 1.261 20 30 CDEDLO C[C@@H]1C[C@H](O)C[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000401696637 358540552 /nfs/dbraw/zinc/54/05/52/358540552.db2.gz KFDJSXJUUFZGJG-KOLCDFICSA-N 1 2 279.365 1.261 20 30 CDEDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592153005 358588340 /nfs/dbraw/zinc/58/83/40/358588340.db2.gz HKYVAQQGHNHANE-AWEZNQCLSA-N 1 2 291.307 1.454 20 30 CDEDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592153005 358588342 /nfs/dbraw/zinc/58/83/42/358588342.db2.gz HKYVAQQGHNHANE-AWEZNQCLSA-N 1 2 291.307 1.454 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1nc2ccccc2o1 ZINC000493800609 366494352 /nfs/dbraw/zinc/49/43/52/366494352.db2.gz BLIKPLZNZCEKMM-FDMDGMSGSA-N 1 2 298.346 1.801 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000335199554 359036498 /nfs/dbraw/zinc/03/64/98/359036498.db2.gz CXYIOQVQOCVLTQ-UONOGXRCSA-N 1 2 265.401 1.189 20 30 CDEDLO Cc1nsc(N(C)CC[N@@H+]2CCOC(C)(C)C2)c1C#N ZINC000287698625 359109296 /nfs/dbraw/zinc/10/92/96/359109296.db2.gz KHKNPXIWDKTJGS-UHFFFAOYSA-N 1 2 294.424 1.870 20 30 CDEDLO Cc1nsc(N(C)CC[N@H+]2CCOC(C)(C)C2)c1C#N ZINC000287698625 359109301 /nfs/dbraw/zinc/10/93/01/359109301.db2.gz KHKNPXIWDKTJGS-UHFFFAOYSA-N 1 2 294.424 1.870 20 30 CDEDLO COC(=O)[C@H]1CC[N@H+](CCC(C)(C)C#N)[C@H](C(=O)OC)C1 ZINC000346963432 359112994 /nfs/dbraw/zinc/11/29/94/359112994.db2.gz MQWXEXVNDKUTCX-RYUDHWBXSA-N 1 2 296.367 1.353 20 30 CDEDLO COC(=O)[C@H]1CC[N@@H+](CCC(C)(C)C#N)[C@H](C(=O)OC)C1 ZINC000346963432 359112997 /nfs/dbraw/zinc/11/29/97/359112997.db2.gz MQWXEXVNDKUTCX-RYUDHWBXSA-N 1 2 296.367 1.353 20 30 CDEDLO C#C[C@H](C)NC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000274723705 359518188 /nfs/dbraw/zinc/51/81/88/359518188.db2.gz AFDJTLQRWASYIA-NSHDSACASA-N 1 2 256.309 1.464 20 30 CDEDLO C#C[C@@H](C)NC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000274831203 359522305 /nfs/dbraw/zinc/52/23/05/359522305.db2.gz RWEKMTYOCFCSEH-LLVKDONJSA-N 1 2 256.309 1.464 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000277037382 359555774 /nfs/dbraw/zinc/55/57/74/359555774.db2.gz SVCHCHQADWACIA-LLVKDONJSA-N 1 2 258.321 1.781 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000277037382 359555776 /nfs/dbraw/zinc/55/57/76/359555776.db2.gz SVCHCHQADWACIA-LLVKDONJSA-N 1 2 258.321 1.781 20 30 CDEDLO CC#CC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000277538405 359564913 /nfs/dbraw/zinc/56/49/13/359564913.db2.gz VFEUMYGHFKHQMI-UHFFFAOYSA-N 1 2 258.321 1.481 20 30 CDEDLO C=CCN(c1cc(N2CCCC[C@H]2CO)[nH+]cn1)C1CC1 ZINC000278832771 359582590 /nfs/dbraw/zinc/58/25/90/359582590.db2.gz VEROYUSXLJVJKY-AWEZNQCLSA-N 1 2 288.395 1.983 20 30 CDEDLO C=CCN(c1cc(N2CCCC[C@H]2CO)nc[nH+]1)C1CC1 ZINC000278832771 359582596 /nfs/dbraw/zinc/58/25/96/359582596.db2.gz VEROYUSXLJVJKY-AWEZNQCLSA-N 1 2 288.395 1.983 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cnc3cnccn23)n1 ZINC000279447935 359587577 /nfs/dbraw/zinc/58/75/77/359587577.db2.gz SFJIOYHEXSOGBG-UHFFFAOYSA-N 1 2 294.362 1.581 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2cnc3cnccn23)n1 ZINC000279447935 359587581 /nfs/dbraw/zinc/58/75/81/359587581.db2.gz SFJIOYHEXSOGBG-UHFFFAOYSA-N 1 2 294.362 1.581 20 30 CDEDLO COc1cc(C[N@@H+]2CCCC3(C2)OCCO3)ccc1C#N ZINC000234994475 359676783 /nfs/dbraw/zinc/67/67/83/359676783.db2.gz QGRLNEGWFVDIFR-UHFFFAOYSA-N 1 2 288.347 1.906 20 30 CDEDLO COc1cc(C[N@H+]2CCCC3(C2)OCCO3)ccc1C#N ZINC000234994475 359676789 /nfs/dbraw/zinc/67/67/89/359676789.db2.gz QGRLNEGWFVDIFR-UHFFFAOYSA-N 1 2 288.347 1.906 20 30 CDEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000408380631 359709722 /nfs/dbraw/zinc/70/97/22/359709722.db2.gz BIQJXFLLRXTETQ-RDBSUJKOSA-N 1 2 277.368 1.002 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1nc(C)no1 ZINC000348094192 359829273 /nfs/dbraw/zinc/82/92/73/359829273.db2.gz DFICPXHOXHKAFS-SNVBAGLBSA-N 1 2 266.345 1.453 20 30 CDEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](O)C2)c(C#N)c1C ZINC000298060195 200326059 /nfs/dbraw/zinc/32/60/59/200326059.db2.gz AQZTYSWLKCLBQO-ZYHUDNBSSA-N 1 2 291.351 1.552 20 30 CDEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](O)C2)c(C#N)c1C ZINC000298060195 200326060 /nfs/dbraw/zinc/32/60/60/200326060.db2.gz AQZTYSWLKCLBQO-ZYHUDNBSSA-N 1 2 291.351 1.552 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccc(C(=O)OC)c(F)c1 ZINC000089135159 360163848 /nfs/dbraw/zinc/16/38/48/360163848.db2.gz RFGHXFCHESZMRU-UHFFFAOYSA-N 1 2 259.280 1.681 20 30 CDEDLO CCOc1ccc(C2=CC[N@H+](CC(=O)NCC#N)CC2)cc1 ZINC000091800379 360251850 /nfs/dbraw/zinc/25/18/50/360251850.db2.gz VVGPXPRTJQWHLC-UHFFFAOYSA-N 1 2 299.374 1.814 20 30 CDEDLO CCOc1ccc(C2=CC[N@@H+](CC(=O)NCC#N)CC2)cc1 ZINC000091800379 360251852 /nfs/dbraw/zinc/25/18/52/360251852.db2.gz VVGPXPRTJQWHLC-UHFFFAOYSA-N 1 2 299.374 1.814 20 30 CDEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCSCC2)C1=O ZINC000177011692 189020570 /nfs/dbraw/zinc/02/05/70/189020570.db2.gz WQYKWNPHVDFTMX-NSHDSACASA-N 1 2 293.417 1.774 20 30 CDEDLO C=CCNC(=O)C[NH2+]Cc1cccc(O)c1Br ZINC000315094541 360447471 /nfs/dbraw/zinc/44/74/71/360447471.db2.gz HYPLXLUTCCSZGV-UHFFFAOYSA-N 1 2 299.168 1.547 20 30 CDEDLO CCOCC[NH+]1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000177473187 189053534 /nfs/dbraw/zinc/05/35/34/189053534.db2.gz PVQPKQVIOOONDD-UHFFFAOYSA-N 1 2 293.392 1.414 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000335554761 360415654 /nfs/dbraw/zinc/41/56/54/360415654.db2.gz HRGZXPMKJPMKNN-NWDGAFQWSA-N 1 2 268.320 1.685 20 30 CDEDLO N#CCC[NH2+][C@H]1CCCN(Cc2ccccn2)C1=O ZINC000515639636 360523179 /nfs/dbraw/zinc/52/31/79/360523179.db2.gz XBXTVPYVFSHBOH-ZDUSSCGKSA-N 1 2 258.325 1.076 20 30 CDEDLO C=CCCS(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178372192 189110972 /nfs/dbraw/zinc/11/09/72/189110972.db2.gz BTBXRZOIFDSZFG-UHFFFAOYSA-N 1 2 265.338 1.330 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1Cc2ccccc2C1 ZINC000563220489 360880711 /nfs/dbraw/zinc/88/07/11/360880711.db2.gz PDBGSZFTJNAHPG-MRXNPFEDSA-N 1 2 271.364 1.361 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000157473926 360883234 /nfs/dbraw/zinc/88/32/34/360883234.db2.gz QSTSYWXJMDKSMJ-UHFFFAOYSA-N 1 2 266.654 1.865 20 30 CDEDLO C=C(Cl)C[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000157473926 360883236 /nfs/dbraw/zinc/88/32/36/360883236.db2.gz QSTSYWXJMDKSMJ-UHFFFAOYSA-N 1 2 266.654 1.865 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N(C)CCC#N ZINC000157632520 360939532 /nfs/dbraw/zinc/93/95/32/360939532.db2.gz DEGAZUKKAGLOOG-NEPJUHHUSA-N 1 2 250.346 1.229 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N(C)CCC#N ZINC000157632520 360939535 /nfs/dbraw/zinc/93/95/35/360939535.db2.gz DEGAZUKKAGLOOG-NEPJUHHUSA-N 1 2 250.346 1.229 20 30 CDEDLO C[N@H+](CC(=O)NCc1ccccc1F)CC(C)(C)C#N ZINC000433311656 361232771 /nfs/dbraw/zinc/23/27/71/361232771.db2.gz NHTYOEOFWIEEKZ-UHFFFAOYSA-N 1 2 277.343 1.923 20 30 CDEDLO C[N@@H+](CC(=O)NCc1ccccc1F)CC(C)(C)C#N ZINC000433311656 361232777 /nfs/dbraw/zinc/23/27/77/361232777.db2.gz NHTYOEOFWIEEKZ-UHFFFAOYSA-N 1 2 277.343 1.923 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@@H](COCC)C1 ZINC000528724012 361255674 /nfs/dbraw/zinc/25/56/74/361255674.db2.gz WXSXOCMSLRBHNR-LSDHHAIUSA-N 1 2 296.411 1.313 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](COCC)C1 ZINC000528724012 361255681 /nfs/dbraw/zinc/25/56/81/361255681.db2.gz WXSXOCMSLRBHNR-LSDHHAIUSA-N 1 2 296.411 1.313 20 30 CDEDLO C=CC[C@@H](CO)CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000433762984 361267197 /nfs/dbraw/zinc/26/71/97/361267197.db2.gz BUKILAYQUXBPRJ-GFCCVEGCSA-N 1 2 294.424 1.626 20 30 CDEDLO C=CC[C@@H](CO)CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000433762984 361267199 /nfs/dbraw/zinc/26/71/99/361267199.db2.gz BUKILAYQUXBPRJ-GFCCVEGCSA-N 1 2 294.424 1.626 20 30 CDEDLO CC#CC[NH2+][C@H](C(=O)OC)[C@H]1CCC[C@@H](OC)C1 ZINC000566309231 370680567 /nfs/dbraw/zinc/68/05/67/370680567.db2.gz YGHPYWIVCAMTTG-XQQFMLRXSA-N 1 2 253.342 1.346 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1CCn2cc[nH+]c2C1)OCC ZINC000428003307 361369195 /nfs/dbraw/zinc/36/91/95/361369195.db2.gz CEECIMQEOCFLGH-CHWSQXEVSA-N 1 2 277.368 1.685 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000133882636 361461025 /nfs/dbraw/zinc/46/10/25/361461025.db2.gz JVLZEMXMOVHVAM-NSHDSACASA-N 1 2 260.312 1.322 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCc2ccc(F)cc2C1 ZINC000133882636 361461032 /nfs/dbraw/zinc/46/10/32/361461032.db2.gz JVLZEMXMOVHVAM-NSHDSACASA-N 1 2 260.312 1.322 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)NC[C@H]1CCCOC1 ZINC000329365604 361490496 /nfs/dbraw/zinc/49/04/96/361490496.db2.gz IGEWETYDAWMRGJ-LLVKDONJSA-N 1 2 266.345 1.193 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000329366883 361491923 /nfs/dbraw/zinc/49/19/23/361491923.db2.gz IQAFTTSNOQIUGE-DGCLKSJQSA-N 1 2 278.356 1.333 20 30 CDEDLO CC[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000192082384 361593447 /nfs/dbraw/zinc/59/34/47/361593447.db2.gz VXGJBJWMLPGUCZ-CYBMUJFWSA-N 1 2 296.367 1.706 20 30 CDEDLO CC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000192082384 361593452 /nfs/dbraw/zinc/59/34/52/361593452.db2.gz VXGJBJWMLPGUCZ-CYBMUJFWSA-N 1 2 296.367 1.706 20 30 CDEDLO COc1ccccc1[C@@H](CO)[NH2+]C[C@@H](C#N)CCC#N ZINC000583630966 361578473 /nfs/dbraw/zinc/57/84/73/361578473.db2.gz CCYCRJGHIOBUED-TZMCWYRMSA-N 1 2 273.336 1.762 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@H](COC)c1ccc(C)o1 ZINC000184635759 189391601 /nfs/dbraw/zinc/39/16/01/189391601.db2.gz RBTKVJFASCXRDQ-VXGBXAGGSA-N 1 2 266.341 1.556 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(F)cc(F)c1 ZINC000574892821 361647090 /nfs/dbraw/zinc/64/70/90/361647090.db2.gz DIKMTNDGBROXPX-ZDUSSCGKSA-N 1 2 267.279 1.538 20 30 CDEDLO Cc1nc(C)n(C[C@@H]2C[N@H+]([C@@H](C)CCC#N)CCO2)n1 ZINC000566564729 370765063 /nfs/dbraw/zinc/76/50/63/370765063.db2.gz UCHFLZZXCFRWFS-FZMZJTMJSA-N 1 2 277.372 1.288 20 30 CDEDLO Cc1nc(C)n(C[C@@H]2C[N@@H+]([C@@H](C)CCC#N)CCO2)n1 ZINC000566564729 370765068 /nfs/dbraw/zinc/76/50/68/370765068.db2.gz UCHFLZZXCFRWFS-FZMZJTMJSA-N 1 2 277.372 1.288 20 30 CDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000366911030 364323802 /nfs/dbraw/zinc/32/38/02/364323802.db2.gz RIGHPFOTBRUUAP-MRXNPFEDSA-N 1 2 299.374 1.285 20 30 CDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000366911030 364323805 /nfs/dbraw/zinc/32/38/05/364323805.db2.gz RIGHPFOTBRUUAP-MRXNPFEDSA-N 1 2 299.374 1.285 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]1C ZINC000639687932 364405952 /nfs/dbraw/zinc/40/59/52/364405952.db2.gz KSRLLJFEPHAVMA-MELADBBJSA-N 1 2 293.411 1.127 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]1C ZINC000639687932 364405956 /nfs/dbraw/zinc/40/59/56/364405956.db2.gz KSRLLJFEPHAVMA-MELADBBJSA-N 1 2 293.411 1.127 20 30 CDEDLO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH2+][C@@H](C)CC#N ZINC000639724982 364529759 /nfs/dbraw/zinc/52/97/59/364529759.db2.gz FUAWYKVYQSMKEF-WFASDCNBSA-N 1 2 287.363 1.195 20 30 CDEDLO N#CCC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000563959934 364788217 /nfs/dbraw/zinc/78/82/17/364788217.db2.gz LOPCOTTWLIMUPL-ZDUSSCGKSA-N 1 2 272.352 1.598 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cc1nc(-c2cc(C)ccn2)no1 ZINC000491326285 364963017 /nfs/dbraw/zinc/96/30/17/364963017.db2.gz LRADUSXLSLMYMH-NSHDSACASA-N 1 2 256.309 1.894 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(-c2cc(C)ccn2)no1 ZINC000491326285 364963020 /nfs/dbraw/zinc/96/30/20/364963020.db2.gz LRADUSXLSLMYMH-NSHDSACASA-N 1 2 256.309 1.894 20 30 CDEDLO C#CC[N@@H+](CC(=O)N(CC(F)(F)F)C(C)C)C1CC1 ZINC000491350713 365000540 /nfs/dbraw/zinc/00/05/40/365000540.db2.gz PNHPOVYERSAGIJ-UHFFFAOYSA-N 1 2 276.302 1.883 20 30 CDEDLO C#CC[N@H+](CC(=O)N(CC(F)(F)F)C(C)C)C1CC1 ZINC000491350713 365000545 /nfs/dbraw/zinc/00/05/45/365000545.db2.gz PNHPOVYERSAGIJ-UHFFFAOYSA-N 1 2 276.302 1.883 20 30 CDEDLO CC[C@H]1C[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C[C@@H]1O ZINC000270886626 366943051 /nfs/dbraw/zinc/94/30/51/366943051.db2.gz KTAYEYTWXFVAGR-AAEUAGOBSA-N 1 2 291.351 1.409 20 30 CDEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C[C@@H]1O ZINC000270886626 366943052 /nfs/dbraw/zinc/94/30/52/366943052.db2.gz KTAYEYTWXFVAGR-AAEUAGOBSA-N 1 2 291.351 1.409 20 30 CDEDLO CC[C@H]1C[N@H+](CC(=O)Nc2sccc2C#N)C[C@H]1O ZINC000270857115 366937777 /nfs/dbraw/zinc/93/77/77/366937777.db2.gz HQDNLKHHDCJSPQ-GXSJLCMTSA-N 1 2 279.365 1.261 20 30 CDEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)C[C@H]1O ZINC000270857115 366937786 /nfs/dbraw/zinc/93/77/86/366937786.db2.gz HQDNLKHHDCJSPQ-GXSJLCMTSA-N 1 2 279.365 1.261 20 30 CDEDLO CN1CC[N@H+](Cc2cccc(C#N)c2)C(C)(C)C1=O ZINC000094865817 367326655 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C[C@H]1C[N@H+](CC2(C#N)CC2)C[C@]2(CCCOC2)O1 ZINC000361618606 368941925 /nfs/dbraw/zinc/94/19/25/368941925.db2.gz JYZDLPLGJGRHSL-JSGCOSHPSA-N 1 2 250.342 1.560 20 30 CDEDLO C[C@H]1C[N@@H+](CC2(C#N)CC2)C[C@]2(CCCOC2)O1 ZINC000361618606 368941927 /nfs/dbraw/zinc/94/19/27/368941927.db2.gz JYZDLPLGJGRHSL-JSGCOSHPSA-N 1 2 250.342 1.560 20 30 CDEDLO CC#CCCNC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000361649118 368962123 /nfs/dbraw/zinc/96/21/23/368962123.db2.gz XNUHHHPLEVWBIQ-UHFFFAOYSA-N 1 2 296.374 1.781 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000072906794 369148361 /nfs/dbraw/zinc/14/83/61/369148361.db2.gz YAFJGMBXSSYQKM-GOSISDBHSA-N 1 2 280.371 1.822 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@H]2c2ccccc2)CCC1 ZINC000554236746 370219717 /nfs/dbraw/zinc/21/97/17/370219717.db2.gz IWDHDLQRCCSUSM-AWEZNQCLSA-N 1 2 269.348 1.996 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CC[C@H]2c2ccccc2)CCC1 ZINC000554236746 370219721 /nfs/dbraw/zinc/21/97/21/370219721.db2.gz IWDHDLQRCCSUSM-AWEZNQCLSA-N 1 2 269.348 1.996 20 30 CDEDLO C=CCNc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000163033934 370224330 /nfs/dbraw/zinc/22/43/30/370224330.db2.gz IHFYMNZLYOMEBR-UHFFFAOYSA-N 1 2 253.269 1.203 20 30 CDEDLO CC#CC[C@H](CO)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000645553050 370641670 /nfs/dbraw/zinc/64/16/70/370641670.db2.gz RUXSAAPJJXMSAC-CQSZACIVSA-N 1 2 275.352 1.272 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnc(C(C)(C)C)nc1 ZINC000569130574 371237556 /nfs/dbraw/zinc/23/75/56/371237556.db2.gz UEVQTMIPBSVYTJ-OAHLLOKOSA-N 1 2 289.383 1.348 20 30 CDEDLO CCc1cccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)n1 ZINC000573328291 371504337 /nfs/dbraw/zinc/50/43/37/371504337.db2.gz HCPSDYBDBDRAIZ-AWEZNQCLSA-N 1 2 260.341 1.218 20 30 CDEDLO N#C[C@@H]1[N@H+](C[C@H]2CCCNC2=O)CCC[C@]12CCCCO2 ZINC000573928256 371687180 /nfs/dbraw/zinc/68/71/80/371687180.db2.gz OIGMOOYUSJOKHF-IJEWVQPXSA-N 1 2 291.395 1.440 20 30 CDEDLO N#C[C@@H]1[N@@H+](C[C@H]2CCCNC2=O)CCC[C@]12CCCCO2 ZINC000573928256 371687186 /nfs/dbraw/zinc/68/71/86/371687186.db2.gz 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/nfs/dbraw/zinc/27/60/94/373276094.db2.gz SPKPBCCYADHOGA-XJKSGUPXSA-N 1 2 277.339 1.913 20 30 CDEDLO COC[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H](C)O1 ZINC000189373195 373276102 /nfs/dbraw/zinc/27/61/02/373276102.db2.gz SPKPBCCYADHOGA-XJKSGUPXSA-N 1 2 277.339 1.913 20 30 CDEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1nccs1 ZINC000191110542 373449996 /nfs/dbraw/zinc/44/99/96/373449996.db2.gz GASCNBGVOACWDC-UHFFFAOYSA-N 1 2 255.343 1.216 20 30 CDEDLO C=CC[N@H+](CCOC)CC(=O)Nc1nccs1 ZINC000191110542 373449998 /nfs/dbraw/zinc/44/99/98/373449998.db2.gz GASCNBGVOACWDC-UHFFFAOYSA-N 1 2 255.343 1.216 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000341436224 373691632 /nfs/dbraw/zinc/69/16/32/373691632.db2.gz SPFGIXVZRKUXHV-CABCVRRESA-N 1 2 295.427 1.847 20 30 CDEDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000296556345 373817603 /nfs/dbraw/zinc/81/76/03/373817603.db2.gz CFFXGPNCPGVJKD-ZDUSSCGKSA-N 1 2 291.326 1.970 20 30 CDEDLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000296556345 373817609 /nfs/dbraw/zinc/81/76/09/373817609.db2.gz CFFXGPNCPGVJKD-ZDUSSCGKSA-N 1 2 291.326 1.970 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000298589277 373856545 /nfs/dbraw/zinc/85/65/45/373856545.db2.gz XRVDNFAOSXCIIL-CYBMUJFWSA-N 1 2 292.404 1.815 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000298589277 373856552 /nfs/dbraw/zinc/85/65/52/373856552.db2.gz XRVDNFAOSXCIIL-CYBMUJFWSA-N 1 2 292.404 1.815 20 30 CDEDLO Cc1nn(Cc2[nH+]cc(Cl)n2C)c(=O)c(C#N)c1C ZINC000299653321 373921654 /nfs/dbraw/zinc/92/16/54/373921654.db2.gz YSTVVZPXWKWBQX-UHFFFAOYSA-N 1 2 277.715 1.167 20 30 CDEDLO Cn1c[nH+]c2cc(Nc3nccnc3C#N)ccc21 ZINC000360883090 374027052 /nfs/dbraw/zinc/02/70/52/374027052.db2.gz IJOXMAZCJHVEAW-UHFFFAOYSA-N 1 2 250.265 1.979 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000361706852 374048272 /nfs/dbraw/zinc/04/82/72/374048272.db2.gz CLRKGMZUBOOCRP-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000361706852 374048279 /nfs/dbraw/zinc/04/82/79/374048279.db2.gz CLRKGMZUBOOCRP-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO COc1cc(CN2CCn3c[nH+]cc3C2)ccc1C#N ZINC000367942785 374150021 /nfs/dbraw/zinc/15/00/21/374150021.db2.gz MMYYAEUCXDHPKP-UHFFFAOYSA-N 1 2 268.320 1.779 20 30 CDEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1CC1 ZINC000081512501 374511660 /nfs/dbraw/zinc/51/16/60/374511660.db2.gz VLJAZBKQVGHFCW-UHFFFAOYSA-N 1 2 278.377 1.816 20 30 CDEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1CC1 ZINC000081512501 374511665 /nfs/dbraw/zinc/51/16/65/374511665.db2.gz VLJAZBKQVGHFCW-UHFFFAOYSA-N 1 2 278.377 1.816 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000289485428 197370733 /nfs/dbraw/zinc/37/07/33/197370733.db2.gz BDXZWTVMALXGSS-HNNXBMFYSA-N 1 2 277.389 1.677 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000289485428 197370735 /nfs/dbraw/zinc/37/07/35/197370735.db2.gz BDXZWTVMALXGSS-HNNXBMFYSA-N 1 2 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C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000246854387 377003828 /nfs/dbraw/zinc/00/38/28/377003828.db2.gz FJYHJWSLGOVSTE-HUUCEWRRSA-N 1 2 294.395 1.067 20 30 CDEDLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1Cc1cccc(C#N)c1 ZINC000172022383 377235015 /nfs/dbraw/zinc/23/50/15/377235015.db2.gz AOAIHWDHERXEFV-UONOGXRCSA-N 1 2 274.320 1.321 20 30 CDEDLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1Cc1cccc(C#N)c1 ZINC000172022383 377235023 /nfs/dbraw/zinc/23/50/23/377235023.db2.gz AOAIHWDHERXEFV-UONOGXRCSA-N 1 2 274.320 1.321 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000249882975 377483142 /nfs/dbraw/zinc/48/31/42/377483142.db2.gz NYJGWPLTUGCJHQ-JHJVBQTASA-N 1 2 267.373 1.152 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000249882975 377483148 /nfs/dbraw/zinc/48/31/48/377483148.db2.gz NYJGWPLTUGCJHQ-JHJVBQTASA-N 1 2 267.373 1.152 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000572060625 377677998 /nfs/dbraw/zinc/67/79/98/377677998.db2.gz QGTXZGNCEGGMHD-UHTWSYAYSA-N 1 2 263.341 1.438 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000572060625 377678006 /nfs/dbraw/zinc/67/80/06/377678006.db2.gz QGTXZGNCEGGMHD-UHTWSYAYSA-N 1 2 263.341 1.438 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000252443286 377679222 /nfs/dbraw/zinc/67/92/22/377679222.db2.gz RCMUAXBANZZUNS-KGLIPLIRSA-N 1 2 266.385 1.686 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000252443286 377679226 /nfs/dbraw/zinc/67/92/26/377679226.db2.gz RCMUAXBANZZUNS-KGLIPLIRSA-N 1 2 266.385 1.686 20 30 CDEDLO C[C@@H]1COC[C@@H](C)[NH+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000265894742 190215806 /nfs/dbraw/zinc/21/58/06/190215806.db2.gz SIUVIBJFAVVOPM-CHWSQXEVSA-N 1 2 287.363 1.284 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccncc2F)CC1 ZINC000265893678 190215915 /nfs/dbraw/zinc/21/59/15/190215915.db2.gz LCGJXPLZWYYIBY-UHFFFAOYSA-N 1 2 261.300 1.002 20 30 CDEDLO N#Cc1ccc(CCC(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000172990760 377793165 /nfs/dbraw/zinc/79/31/65/377793165.db2.gz MYPZKXGBPZGVHN-UHFFFAOYSA-N 1 2 268.320 1.573 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(OC)c(OC)c2)CC1 ZINC000057993766 377849556 /nfs/dbraw/zinc/84/95/56/377849556.db2.gz QSJBVUYKGNGLKE-UHFFFAOYSA-N 1 2 274.364 1.455 20 30 CDEDLO C#CCN1CC[NH+](Cc2ccc(OC)c(OC)c2)CC1 ZINC000057993766 377849564 /nfs/dbraw/zinc/84/95/64/377849564.db2.gz QSJBVUYKGNGLKE-UHFFFAOYSA-N 1 2 274.364 1.455 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)c1 ZINC000282729538 378069653 /nfs/dbraw/zinc/06/96/53/378069653.db2.gz MFUDTDVSAJPJLU-OAHLLOKOSA-N 1 2 295.404 1.870 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)c1 ZINC000282729538 378069660 /nfs/dbraw/zinc/06/96/60/378069660.db2.gz MFUDTDVSAJPJLU-OAHLLOKOSA-N 1 2 295.404 1.870 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccc(OC)c(OC)c1OC ZINC000093461409 378078345 /nfs/dbraw/zinc/07/83/45/378078345.db2.gz FPCWSSPYTAUEEO-UHFFFAOYSA-N 1 2 273.332 1.781 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000192218810 378176384 /nfs/dbraw/zinc/17/63/84/378176384.db2.gz MMGBZPMXGUOSMR-UHFFFAOYSA-N 1 2 288.269 1.736 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000192218810 378176388 /nfs/dbraw/zinc/17/63/88/378176388.db2.gz MMGBZPMXGUOSMR-UHFFFAOYSA-N 1 2 288.269 1.736 20 30 CDEDLO C=CCS(=O)(=O)CCNC(=O)Nc1c(C)cc[nH+]c1C ZINC000287550624 378264077 /nfs/dbraw/zinc/26/40/77/378264077.db2.gz OWBBZCZWNWKVLG-UHFFFAOYSA-N 1 2 297.380 1.421 20 30 CDEDLO CC#CCNC(=O)NCCCCNc1cccc[nH+]1 ZINC000135960493 378279412 /nfs/dbraw/zinc/27/94/12/378279412.db2.gz KADZFKRLRFHSIW-UHFFFAOYSA-N 1 2 260.341 1.596 20 30 CDEDLO CNC(=O)[C@H]1C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000248437102 378523543 /nfs/dbraw/zinc/52/35/43/378523543.db2.gz GUXNANZUEMLXKG-SMDDNHRTSA-N 1 2 273.336 1.066 20 30 CDEDLO CNC(=O)[C@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000248437102 378523547 /nfs/dbraw/zinc/52/35/47/378523547.db2.gz GUXNANZUEMLXKG-SMDDNHRTSA-N 1 2 273.336 1.066 20 30 CDEDLO C=C[C@@H](CO)Nc1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000292677205 378509088 /nfs/dbraw/zinc/50/90/88/378509088.db2.gz AYWFGVGHNCCTKU-RYUDHWBXSA-N 1 2 262.357 1.672 20 30 CDEDLO C=C[C@@H](CO)Nc1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000292677205 378509093 /nfs/dbraw/zinc/50/90/93/378509093.db2.gz AYWFGVGHNCCTKU-RYUDHWBXSA-N 1 2 262.357 1.672 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NC(=O)Nc1ccc(OC)cc1 ZINC000293164856 378544198 /nfs/dbraw/zinc/54/41/98/378544198.db2.gz OXTZSUSUENGBRD-UHFFFAOYSA-N 1 2 289.335 1.298 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NC(=O)Nc1ccc(OC)cc1 ZINC000293164856 378544204 /nfs/dbraw/zinc/54/42/04/378544204.db2.gz OXTZSUSUENGBRD-UHFFFAOYSA-N 1 2 289.335 1.298 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cc(-c2cnn(C)c2)no1 ZINC000185015080 378553675 /nfs/dbraw/zinc/55/36/75/378553675.db2.gz KJSBIGMIQQPMTK-UHFFFAOYSA-N 1 2 254.293 1.144 20 30 CDEDLO COC(=O)C[N@H+](Cc1ccc(CC#N)cc1)C1CC1 ZINC000343538084 378903988 /nfs/dbraw/zinc/90/39/88/378903988.db2.gz MXUZTXNABVGTKS-UHFFFAOYSA-N 1 2 258.321 1.890 20 30 CDEDLO COC(=O)C[N@@H+](Cc1ccc(CC#N)cc1)C1CC1 ZINC000343538084 378903994 /nfs/dbraw/zinc/90/39/94/378903994.db2.gz MXUZTXNABVGTKS-UHFFFAOYSA-N 1 2 258.321 1.890 20 30 CDEDLO C=C[C@H](C)NC(=O)[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000343652140 378942521 /nfs/dbraw/zinc/94/25/21/378942521.db2.gz CZDNFQGHDIODFG-AVGNSLFASA-N 1 2 259.353 1.845 20 30 CDEDLO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ncn(C)n1 ZINC000444740277 250178667 /nfs/dbraw/zinc/17/86/67/250178667.db2.gz FRYXEMCVWXVZIQ-LLVKDONJSA-N 1 2 298.350 1.366 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2c(C3CC3)cnn2C)nn1 ZINC000657662362 412968362 /nfs/dbraw/zinc/96/83/62/412968362.db2.gz BBOFMQAPMLAEKF-UHFFFAOYSA-N 1 2 286.383 1.755 20 30 CDEDLO N#Cc1cccc(/C=C\C(=O)NCC[NH+]2CCOCC2)c1 ZINC000490854039 253051230 /nfs/dbraw/zinc/05/12/30/253051230.db2.gz AMRNZIWGWPVABJ-PLNGDYQASA-N 1 2 285.347 1.020 20 30 CDEDLO COCCOCC[N@H+](C)Cc1cc(F)ccc1C#N ZINC000288571477 197115710 /nfs/dbraw/zinc/11/57/10/197115710.db2.gz BGUMBUHTBPITIA-UHFFFAOYSA-N 1 2 266.316 1.792 20 30 CDEDLO COCCOCC[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000288571477 197115711 /nfs/dbraw/zinc/11/57/11/197115711.db2.gz BGUMBUHTBPITIA-UHFFFAOYSA-N 1 2 266.316 1.792 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)NCCCCC)C1=O ZINC000281208830 195149742 /nfs/dbraw/zinc/14/97/42/195149742.db2.gz CZAZJXLNCJLEKH-UONOGXRCSA-N 1 2 295.427 1.400 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)NCCCCC)C1=O ZINC000281208830 195149745 /nfs/dbraw/zinc/14/97/45/195149745.db2.gz CZAZJXLNCJLEKH-UONOGXRCSA-N 1 2 295.427 1.400 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000281466876 195252663 /nfs/dbraw/zinc/25/26/63/195252663.db2.gz PFSOBBRGUXNPAL-JSGCOSHPSA-N 1 2 263.341 1.371 20 30 CDEDLO N#Cc1ccccc1N1CC[NH+](Cc2cncnc2)CC1 ZINC000126914444 390184352 /nfs/dbraw/zinc/18/43/52/390184352.db2.gz IKNXJLPHLJZTFC-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO N#Cc1csc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000370805845 390538602 /nfs/dbraw/zinc/53/86/02/390538602.db2.gz JXYGGSKIDTVDOK-LBPRGKRZSA-N 1 2 291.376 1.166 20 30 CDEDLO C[C@H]1CCC[N@H+](Cc2nc(C#N)cs2)[C@H]1CO ZINC000419248485 390551639 /nfs/dbraw/zinc/55/16/39/390551639.db2.gz YDOJZAPXKCHWTK-ONGXEEELSA-N 1 2 251.355 1.608 20 30 CDEDLO C[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)[C@H]1CO ZINC000419248485 390551644 /nfs/dbraw/zinc/55/16/44/390551644.db2.gz YDOJZAPXKCHWTK-ONGXEEELSA-N 1 2 251.355 1.608 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccnn2CC(C)C)nn1 ZINC000647219234 390887530 /nfs/dbraw/zinc/88/75/30/390887530.db2.gz OHBIFECFPBQFQF-UHFFFAOYSA-N 1 2 274.372 1.606 20 30 CDEDLO O=C(N[C@@H]1CCCOC1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000329592076 391022655 /nfs/dbraw/zinc/02/26/55/391022655.db2.gz BWBDXDSAINYOEK-KGLIPLIRSA-N 1 2 282.384 1.623 20 30 CDEDLO O=C(N[C@@H]1CCCOC1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000329592076 391022660 /nfs/dbraw/zinc/02/26/60/391022660.db2.gz BWBDXDSAINYOEK-KGLIPLIRSA-N 1 2 282.384 1.623 20 30 CDEDLO O=C(NCc1ccc(=O)[nH]c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329425596 390985818 /nfs/dbraw/zinc/98/58/18/390985818.db2.gz GUOPRTIAROSYLJ-LLVKDONJSA-N 1 2 272.308 1.703 20 30 CDEDLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000329509066 391001088 /nfs/dbraw/zinc/00/10/88/391001088.db2.gz JOEXFWFOKUHBPR-IAZYJMLFSA-N 1 2 258.281 1.114 20 30 CDEDLO C[C@H](NC(=O)N1CCn2cc[nH+]c2C1)[C@H]1CCCOC1 ZINC000329524058 391004581 /nfs/dbraw/zinc/00/45/81/391004581.db2.gz RYXJCLNARYDGEH-RYUDHWBXSA-N 1 2 278.356 1.428 20 30 CDEDLO CC(C)(C)CCNC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352462339 391148349 /nfs/dbraw/zinc/14/83/49/391148349.db2.gz CRCAJBYCJSXWSW-UHFFFAOYSA-N 1 2 269.364 1.866 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000352461934 391148401 /nfs/dbraw/zinc/14/84/01/391148401.db2.gz RUXZKXBOZLMXRJ-HNNXBMFYSA-N 1 2 276.384 1.656 20 30 CDEDLO Cc1nc(CN(CCC#N)CC[NH+]2CCOCC2)oc1C ZINC000174831675 391127317 /nfs/dbraw/zinc/12/73/17/391127317.db2.gz UPCCXKNQDLSGRE-UHFFFAOYSA-N 1 2 292.383 1.339 20 30 CDEDLO C[C@@H](CNC(=O)C[C@H]1CCC(=O)[C@H]1C)[NH+]1CCOCC1 ZINC000330000632 533364551 /nfs/dbraw/zinc/36/45/51/533364551.db2.gz WUAHEWGSLBJVPC-RWMBFGLXSA-N 1 2 282.384 1.669 20 30 CDEDLO C#C[C@@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C(C)C ZINC000374164370 391151252 /nfs/dbraw/zinc/15/12/52/391151252.db2.gz QSVHOWWWIZEXHM-HUUCEWRRSA-N 1 2 278.396 1.404 20 30 CDEDLO C#C[C@@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C(C)C ZINC000374164370 391151255 /nfs/dbraw/zinc/15/12/55/391151255.db2.gz QSVHOWWWIZEXHM-HUUCEWRRSA-N 1 2 278.396 1.404 20 30 CDEDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C)C#N)c1C ZINC000347041382 533407586 /nfs/dbraw/zinc/40/75/86/533407586.db2.gz SVPHEZOFBNNTMS-SECBINFHSA-N 1 2 261.325 1.825 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000268486543 391217918 /nfs/dbraw/zinc/21/79/18/391217918.db2.gz QEHZNLJQQZCHIL-LBPRGKRZSA-N 1 2 273.336 1.753 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000268486543 391217919 /nfs/dbraw/zinc/21/79/19/391217919.db2.gz QEHZNLJQQZCHIL-LBPRGKRZSA-N 1 2 273.336 1.753 20 30 CDEDLO C#CC[N@@H+](C[C@@H]1CCCC1(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000491711634 391230374 /nfs/dbraw/zinc/23/03/74/391230374.db2.gz WVPNXCDIUBCCEJ-RYUDHWBXSA-N 1 2 291.363 1.544 20 30 CDEDLO C#CC[N@H+](C[C@@H]1CCCC1(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000491711634 391230376 /nfs/dbraw/zinc/23/03/76/391230376.db2.gz WVPNXCDIUBCCEJ-RYUDHWBXSA-N 1 2 291.363 1.544 20 30 CDEDLO C=CCOCC[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000339013608 391241774 /nfs/dbraw/zinc/24/17/74/391241774.db2.gz LVWIXAHLWUTCDP-NSHDSACASA-N 1 2 266.307 1.757 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000491676561 391202906 /nfs/dbraw/zinc/20/29/06/391202906.db2.gz WQQCNCZYSONMAZ-LLVKDONJSA-N 1 2 276.336 1.596 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000491676561 391202909 /nfs/dbraw/zinc/20/29/09/391202909.db2.gz WQQCNCZYSONMAZ-LLVKDONJSA-N 1 2 276.336 1.596 20 30 CDEDLO CCOC(=O)C[C@@H](C)C/[NH+]=C/c1c(CO)cnc(C)c1O ZINC000270522911 391276172 /nfs/dbraw/zinc/27/61/72/391276172.db2.gz TZZLQMDZVFSUFJ-LYQMGENXSA-N 1 2 294.351 1.596 20 30 CDEDLO C=CCCCCNC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000354286367 391413153 /nfs/dbraw/zinc/41/31/53/391413153.db2.gz QQTFKHPRMCWGGI-ZDUSSCGKSA-N 1 2 253.390 1.095 20 30 CDEDLO C=CCNC(=O)CN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000188378274 391341922 /nfs/dbraw/zinc/34/19/22/391341922.db2.gz LHNHFOTZMLGUTF-CQSZACIVSA-N 1 2 288.326 1.530 20 30 CDEDLO C=CCn1cccc1-c1nc([C@@H]2C[NH+]3CCN2CC3)no1 ZINC000346800569 391369109 /nfs/dbraw/zinc/36/91/09/391369109.db2.gz RSLGVSXQNFFEJU-ZDUSSCGKSA-N 1 2 285.351 1.396 20 30 CDEDLO CCn1nc(C)c(NC(=O)NCc2[nH]cc[nH+]2)c1C ZINC000330641098 391453042 /nfs/dbraw/zinc/45/30/42/391453042.db2.gz CVIQBWUMXJFLTC-UHFFFAOYSA-N 1 2 262.317 1.769 20 30 CDEDLO CNc1snc(C)c1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330623280 391461556 /nfs/dbraw/zinc/46/15/56/391461556.db2.gz PHLFZKBPTJPEJB-SECBINFHSA-N 1 2 298.412 1.519 20 30 CDEDLO CNc1snc(C)c1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330623280 391461559 /nfs/dbraw/zinc/46/15/59/391461559.db2.gz PHLFZKBPTJPEJB-SECBINFHSA-N 1 2 298.412 1.519 20 30 CDEDLO COC[C@@H]1C[C@H](O)C[N@@H+]1CC#Cc1ccccc1Cl ZINC000411905295 391534480 /nfs/dbraw/zinc/53/44/80/391534480.db2.gz BSFPWWGVDNLEKX-KBPBESRZSA-N 1 2 279.767 1.773 20 30 CDEDLO COC[C@@H]1C[C@H](O)C[N@H+]1CC#Cc1ccccc1Cl ZINC000411905295 391534483 /nfs/dbraw/zinc/53/44/83/391534483.db2.gz BSFPWWGVDNLEKX-KBPBESRZSA-N 1 2 279.767 1.773 20 30 CDEDLO CC1(C)C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H](CO)O1 ZINC000404144427 391547961 /nfs/dbraw/zinc/54/79/61/391547961.db2.gz IQOXRMDQGHDJND-ZDUSSCGKSA-N 1 2 278.327 1.669 20 30 CDEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H](CO)O1 ZINC000404144427 391547967 /nfs/dbraw/zinc/54/79/67/391547967.db2.gz IQOXRMDQGHDJND-ZDUSSCGKSA-N 1 2 278.327 1.669 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000412032866 391552645 /nfs/dbraw/zinc/55/26/45/391552645.db2.gz ROKASIWXYFTVKY-ZDUSSCGKSA-N 1 2 289.383 1.103 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000412032866 391552651 /nfs/dbraw/zinc/55/26/51/391552651.db2.gz ROKASIWXYFTVKY-ZDUSSCGKSA-N 1 2 289.383 1.103 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](c2nc(C)n[nH]2)C1 ZINC000412032866 391552652 /nfs/dbraw/zinc/55/26/52/391552652.db2.gz ROKASIWXYFTVKY-ZDUSSCGKSA-N 1 2 289.383 1.103 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](c2nc(C)n[nH]2)C1 ZINC000412032866 391552657 /nfs/dbraw/zinc/55/26/57/391552657.db2.gz ROKASIWXYFTVKY-ZDUSSCGKSA-N 1 2 289.383 1.103 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](c2n[nH]c(C)n2)C1 ZINC000412032866 391552661 /nfs/dbraw/zinc/55/26/61/391552661.db2.gz ROKASIWXYFTVKY-ZDUSSCGKSA-N 1 2 289.383 1.103 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](c2n[nH]c(C)n2)C1 ZINC000412032866 391552664 /nfs/dbraw/zinc/55/26/64/391552664.db2.gz ROKASIWXYFTVKY-ZDUSSCGKSA-N 1 2 289.383 1.103 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NCCc1ccccc1 ZINC000358993772 391572405 /nfs/dbraw/zinc/57/24/05/391572405.db2.gz ZUJWYTLVKGVPLE-KGLIPLIRSA-N 1 2 273.380 1.825 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NCCc1ccccc1 ZINC000358993772 391572411 /nfs/dbraw/zinc/57/24/11/391572411.db2.gz ZUJWYTLVKGVPLE-KGLIPLIRSA-N 1 2 273.380 1.825 20 30 CDEDLO C=C(Br)C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000185111684 391572857 /nfs/dbraw/zinc/57/28/57/391572857.db2.gz ZFQNBRZGPNLYHX-UFBFGSQYSA-N 1 2 254.193 1.594 20 30 CDEDLO C=C(Br)C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000185111684 391572860 /nfs/dbraw/zinc/57/28/60/391572860.db2.gz ZFQNBRZGPNLYHX-UFBFGSQYSA-N 1 2 254.193 1.594 20 30 CDEDLO C=CCN(CCC#N)C(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000359399653 391594216 /nfs/dbraw/zinc/59/42/16/391594216.db2.gz BHZLYAMJVPNZJG-GJZGRUSLSA-N 1 2 293.411 1.804 20 30 CDEDLO C=CCN(CCC#N)C(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000359399653 391594218 /nfs/dbraw/zinc/59/42/18/391594218.db2.gz BHZLYAMJVPNZJG-GJZGRUSLSA-N 1 2 293.411 1.804 20 30 CDEDLO CC(C)(CCC#N)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000360412495 391659178 /nfs/dbraw/zinc/65/91/78/391659178.db2.gz UOQZDLIVSLWJIH-LBPRGKRZSA-N 1 2 274.368 1.892 20 30 CDEDLO C=CCN1CC[C@@H](N(C)c2[nH+]c3ccccc3n2C)C1=O ZINC000281968408 391668060 /nfs/dbraw/zinc/66/80/60/391668060.db2.gz UCZJCFNUGHEBKQ-CQSZACIVSA-N 1 2 284.363 1.796 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](Cc2ccccn2)C2CC2)C1=O ZINC000282009985 391668941 /nfs/dbraw/zinc/66/89/41/391668941.db2.gz OIWNXBMIAYGVGW-OAHLLOKOSA-N 1 2 271.364 1.833 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](Cc2ccccn2)C2CC2)C1=O ZINC000282009985 391668943 /nfs/dbraw/zinc/66/89/43/391668943.db2.gz OIWNXBMIAYGVGW-OAHLLOKOSA-N 1 2 271.364 1.833 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000287217302 391734220 /nfs/dbraw/zinc/73/42/20/391734220.db2.gz GNXLJTYCKYPWAQ-AWEZNQCLSA-N 1 2 295.386 1.985 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000287217302 391734225 /nfs/dbraw/zinc/73/42/25/391734225.db2.gz GNXLJTYCKYPWAQ-AWEZNQCLSA-N 1 2 295.386 1.985 20 30 CDEDLO CNC(=O)CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341801414 130038850 /nfs/dbraw/zinc/03/88/50/130038850.db2.gz VZPNNSUEGRPOLQ-AWEZNQCLSA-N 1 2 273.336 1.068 20 30 CDEDLO CNC(=O)CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341801414 130038852 /nfs/dbraw/zinc/03/88/52/130038852.db2.gz VZPNNSUEGRPOLQ-AWEZNQCLSA-N 1 2 273.336 1.068 20 30 CDEDLO COc1cccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000329896489 391795842 /nfs/dbraw/zinc/79/58/42/391795842.db2.gz CMPWVQGSGMAZLY-ZIAGYGMSSA-N 1 2 291.351 1.256 20 30 CDEDLO COc1cccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000329896489 391795843 /nfs/dbraw/zinc/79/58/43/391795843.db2.gz CMPWVQGSGMAZLY-ZIAGYGMSSA-N 1 2 291.351 1.256 20 30 CDEDLO C=CCCCC[NH+]1CCN(Cc2n[nH]c(C)n2)CC1 ZINC000649393740 392169368 /nfs/dbraw/zinc/16/93/68/392169368.db2.gz ZCJHILUJOUQOHU-UHFFFAOYSA-N 1 2 263.389 1.587 20 30 CDEDLO C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1ncc[nH]1 ZINC000595402350 392563567 /nfs/dbraw/zinc/56/35/67/392563567.db2.gz XGZRJKQPUPQSJV-UHFFFAOYSA-N 1 2 289.364 1.803 20 30 CDEDLO C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ncc[nH]1 ZINC000595402350 392563569 /nfs/dbraw/zinc/56/35/69/392563569.db2.gz XGZRJKQPUPQSJV-UHFFFAOYSA-N 1 2 289.364 1.803 20 30 CDEDLO CC#CC[C@@H](CO)NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000649181746 392950697 /nfs/dbraw/zinc/95/06/97/392950697.db2.gz HRKIEZMYPQMWEX-ZDUSSCGKSA-N 1 2 285.347 1.386 20 30 CDEDLO Cc1cc(N2CCC[C@@H](OCCO)C2)c(C#N)c[nH+]1 ZINC000425233182 392998895 /nfs/dbraw/zinc/99/88/95/392998895.db2.gz VTQYQTAXMQLSOX-CYBMUJFWSA-N 1 2 261.325 1.239 20 30 CDEDLO Cc1cc(N2CC[C@H](n3cccn3)C2)c(C#N)c[nH+]1 ZINC000425266819 393010114 /nfs/dbraw/zinc/01/01/14/393010114.db2.gz JGVSFDWVVXLGQK-ZDUSSCGKSA-N 1 2 253.309 1.910 20 30 CDEDLO CC#CC[C@@H](CO)Nc1nc(C2CC2)[nH+]c(C)c1OC ZINC000656203547 413102277 /nfs/dbraw/zinc/10/22/77/413102277.db2.gz JPXMFTHYPILPKV-LBPRGKRZSA-N 1 2 275.352 1.857 20 30 CDEDLO CC(C)C[C@@H](CNC(=O)C1(C#N)CCC1)[NH+]1CCOCC1 ZINC000134541822 397632890 /nfs/dbraw/zinc/63/28/90/397632890.db2.gz BYWUVMHWTPTRFE-AWEZNQCLSA-N 1 2 293.411 1.543 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCc2cccc(OC)c2C1 ZINC000650106500 397723688 /nfs/dbraw/zinc/72/36/88/397723688.db2.gz ABDKSJFMCRNSRN-UHFFFAOYSA-N 1 2 260.337 1.356 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCc2cccc(OC)c2C1 ZINC000650106500 397723689 /nfs/dbraw/zinc/72/36/89/397723689.db2.gz ABDKSJFMCRNSRN-UHFFFAOYSA-N 1 2 260.337 1.356 20 30 CDEDLO N#Cc1ccc(Cl)c(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000334206336 149360947 /nfs/dbraw/zinc/36/09/47/149360947.db2.gz WHYUMEALZMDAEQ-UHFFFAOYSA-N 1 2 260.684 1.865 20 30 CDEDLO CNC(=O)N1CC[NH+](Cc2cc(C#N)ccc2OC)CC1 ZINC000346477824 153203396 /nfs/dbraw/zinc/20/33/96/153203396.db2.gz DORSAQIQCNMYFB-UHFFFAOYSA-N 1 2 288.351 1.024 20 30 CDEDLO N#Cc1cccc(F)c1CC(=O)NCCCn1cc[nH+]c1 ZINC000349087629 154048573 /nfs/dbraw/zinc/04/85/73/154048573.db2.gz VOIBSGGHPNFADW-UHFFFAOYSA-N 1 2 286.310 1.643 20 30 CDEDLO N#Cc1cc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)ccn1 ZINC000356379005 157461260 /nfs/dbraw/zinc/46/12/60/157461260.db2.gz ASWXLKZOFORWGT-HNNXBMFYSA-N 1 2 294.314 1.642 20 30 CDEDLO C=CCNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000656540098 413392427 /nfs/dbraw/zinc/39/24/27/413392427.db2.gz CYZWULYURNFRGH-UHFFFAOYSA-N 1 2 260.341 1.667 20 30 CDEDLO C=CC[C@H]1CCCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000656544211 413414273 /nfs/dbraw/zinc/41/42/73/413414273.db2.gz LTWXFMLLTXZTMX-AWEZNQCLSA-N 1 2 281.400 1.316 20 30 CDEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000346835871 287255352 /nfs/dbraw/zinc/25/53/52/287255352.db2.gz MUFVITDEOXNNCW-VXGBXAGGSA-N 1 2 265.357 1.048 20 30 CDEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000346835871 287255355 /nfs/dbraw/zinc/25/53/55/287255355.db2.gz MUFVITDEOXNNCW-VXGBXAGGSA-N 1 2 265.357 1.048 20 30 CDEDLO COC(=O)c1cnoc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000285108989 196198163 /nfs/dbraw/zinc/19/81/63/196198163.db2.gz HTPYAQUXONCPAT-UHFFFAOYSA-N 1 2 285.303 1.965 20 30 CDEDLO COC(=O)c1cnoc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000285108989 196198164 /nfs/dbraw/zinc/19/81/64/196198164.db2.gz HTPYAQUXONCPAT-UHFFFAOYSA-N 1 2 285.303 1.965 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCOc3cc(O)ccc3C2)C1=O ZINC000285518960 196311884 /nfs/dbraw/zinc/31/18/84/196311884.db2.gz OCLXMIBGARCAQY-AWEZNQCLSA-N 1 2 288.347 1.374 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCOc3cc(O)ccc3C2)C1=O ZINC000285518960 196311886 /nfs/dbraw/zinc/31/18/86/196311886.db2.gz OCLXMIBGARCAQY-AWEZNQCLSA-N 1 2 288.347 1.374 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2c2nc(C)no2)C1=O ZINC000285728745 196380421 /nfs/dbraw/zinc/38/04/21/196380421.db2.gz QOACFFMHDQSIJT-CHWSQXEVSA-N 1 2 290.367 1.692 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2c2nc(C)no2)C1=O ZINC000285728745 196380422 /nfs/dbraw/zinc/38/04/22/196380422.db2.gz QOACFFMHDQSIJT-CHWSQXEVSA-N 1 2 290.367 1.692 20 30 CDEDLO C=CCN(C(=O)NCCCCn1cc[nH+]c1)[C@H](C)COC ZINC000663769345 414451735 /nfs/dbraw/zinc/45/17/35/414451735.db2.gz KEFGTDWEBITHQU-CQSZACIVSA-N 1 2 294.399 1.896 20 30 CDEDLO C=CCNC(=O)C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000072031769 176310319 /nfs/dbraw/zinc/31/03/19/176310319.db2.gz ZZFOCSUZSRXYJJ-CQSZACIVSA-N 1 2 278.352 1.563 20 30 CDEDLO C=CCNC(=O)C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000072031769 176310321 /nfs/dbraw/zinc/31/03/21/176310321.db2.gz ZZFOCSUZSRXYJJ-CQSZACIVSA-N 1 2 278.352 1.563 20 30 CDEDLO COC1CCC(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000330297073 228105410 /nfs/dbraw/zinc/10/54/10/228105410.db2.gz GRCYQVZANYOHBM-RUXDESIVSA-N 1 2 299.415 1.026 20 30 CDEDLO COC1CCC(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000330297073 228105412 /nfs/dbraw/zinc/10/54/12/228105412.db2.gz GRCYQVZANYOHBM-RUXDESIVSA-N 1 2 299.415 1.026 20 30 CDEDLO COC1CCC(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000330297072 228105433 /nfs/dbraw/zinc/10/54/33/228105433.db2.gz GRCYQVZANYOHBM-JXQTWKCFSA-N 1 2 299.415 1.026 20 30 CDEDLO COC1CCC(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000330297072 228105436 /nfs/dbraw/zinc/10/54/36/228105436.db2.gz GRCYQVZANYOHBM-JXQTWKCFSA-N 1 2 299.415 1.026 20 30 CDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C1CC(F)(F)C1 ZINC000330257920 228083061 /nfs/dbraw/zinc/08/30/61/228083061.db2.gz QYQGQXYVUXXOJE-QMMMGPOBSA-N 1 2 270.283 1.499 20 30 CDEDLO [O-]C(NC1CC(F)(F)C1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330257920 228083063 /nfs/dbraw/zinc/08/30/63/228083063.db2.gz QYQGQXYVUXXOJE-QMMMGPOBSA-N 1 2 270.283 1.499 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Nc2ccon2)CCO1 ZINC000330334084 228154950 /nfs/dbraw/zinc/15/49/50/228154950.db2.gz QHQAAOMSHSUCOC-ONGXEEELSA-N 1 2 291.311 1.076 20 30 CDEDLO CCCCNC(=O)CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000049066040 260203162 /nfs/dbraw/zinc/20/31/62/260203162.db2.gz FAZJIYJLRGSWLJ-UHFFFAOYSA-N 1 2 281.331 1.687 20 30 CDEDLO COc1cc(CO[NH+]=C(N)CCO)ccc1SC ZINC000121410892 260710728 /nfs/dbraw/zinc/71/07/28/260710728.db2.gz OAQFYXJDDFTKFQ-UHFFFAOYSA-N 1 2 270.354 1.588 20 30 CDEDLO C#C[C@@H]([NH2+]CN1CCC(=O)CC1)c1ccc(F)cc1 ZINC000491406273 261548361 /nfs/dbraw/zinc/54/83/61/261548361.db2.gz MZQJQZMTAOZPGW-OAHLLOKOSA-N 1 2 260.312 1.712 20 30 CDEDLO COc1cccc(C(N)=[NH+]OCCOC(C)C)c1 ZINC000181671526 261907209 /nfs/dbraw/zinc/90/72/09/261907209.db2.gz CHCUNQBFRWFNKY-UHFFFAOYSA-N 1 2 252.314 1.757 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000192234071 262200623 /nfs/dbraw/zinc/20/06/23/262200623.db2.gz GYCUFHRASMFALC-CQSZACIVSA-N 1 2 269.348 1.887 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000192234071 262200624 /nfs/dbraw/zinc/20/06/24/262200624.db2.gz GYCUFHRASMFALC-CQSZACIVSA-N 1 2 269.348 1.887 20 30 CDEDLO N#C[C@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000117793483 262282693 /nfs/dbraw/zinc/28/26/93/262282693.db2.gz ULWBOISREQDKGN-AWEZNQCLSA-N 1 2 282.303 1.237 20 30 CDEDLO CC#CC[NH+]1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000160515755 262283225 /nfs/dbraw/zinc/28/32/25/262283225.db2.gz KYCYONVXEMGJFC-UHFFFAOYSA-N 1 2 291.439 1.418 20 30 CDEDLO CC#CCN1CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000160515755 262283226 /nfs/dbraw/zinc/28/32/26/262283226.db2.gz KYCYONVXEMGJFC-UHFFFAOYSA-N 1 2 291.439 1.418 20 30 CDEDLO C=CCCCCCCNC(=O)[C@@H]1COCC[N@H+]1CC ZINC000367795175 262370310 /nfs/dbraw/zinc/37/03/10/262370310.db2.gz VDTZPJCIMXUPRQ-AWEZNQCLSA-N 1 2 268.401 1.960 20 30 CDEDLO C=CCCCCCCNC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000367795175 262370311 /nfs/dbraw/zinc/37/03/11/262370311.db2.gz VDTZPJCIMXUPRQ-AWEZNQCLSA-N 1 2 268.401 1.960 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc2c(c1)CCC2=O ZINC000414128200 262807521 /nfs/dbraw/zinc/80/75/21/262807521.db2.gz RSDJGQNHNHREFX-CYBMUJFWSA-N 1 2 288.347 1.401 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc2c(c1)CCC2=O ZINC000414128200 262807522 /nfs/dbraw/zinc/80/75/22/262807522.db2.gz RSDJGQNHNHREFX-CYBMUJFWSA-N 1 2 288.347 1.401 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCCC2OCCO2)cc1OC ZINC000274345556 263023354 /nfs/dbraw/zinc/02/33/54/263023354.db2.gz QMDBTFZLACTJSL-UHFFFAOYSA-N 1 2 296.323 1.104 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)c1ccc(CC#N)cc1 ZINC000340121959 263073301 /nfs/dbraw/zinc/07/33/01/263073301.db2.gz ITDFCABTQYYASK-UHFFFAOYSA-N 1 2 254.293 1.416 20 30 CDEDLO Cc1nc(CO[NH+]=C(N)[C@H]2CCCO2)sc1C ZINC000284394830 263086701 /nfs/dbraw/zinc/08/67/01/263086701.db2.gz MULOJMKNFRCDIG-SECBINFHSA-N 1 2 255.343 1.728 20 30 CDEDLO NC(=[NH+]OCC(=O)Nc1ccccc1)[C@H]1CCCO1 ZINC000284494797 263087067 /nfs/dbraw/zinc/08/70/67/263087067.db2.gz SOUVYBKPHLNXOO-LLVKDONJSA-N 1 2 263.297 1.093 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000340201839 263091388 /nfs/dbraw/zinc/09/13/88/263091388.db2.gz PFMOBMADKWFBHI-KOLCDFICSA-N 1 2 280.290 1.066 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000340201839 263091389 /nfs/dbraw/zinc/09/13/89/263091389.db2.gz PFMOBMADKWFBHI-KOLCDFICSA-N 1 2 280.290 1.066 20 30 CDEDLO COC[C@@H](C)C/[NH+]=C/c1c(O)c(C)ncc1CO ZINC000299244686 263236370 /nfs/dbraw/zinc/23/63/70/263236370.db2.gz PRFSXTYYLFORQC-RGEMTFFCSA-N 1 2 252.314 1.289 20 30 CDEDLO CC#CC[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000119870121 263279415 /nfs/dbraw/zinc/27/94/15/263279415.db2.gz AEIZKTUMHNYPLL-CQSZACIVSA-N 1 2 260.312 1.886 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000119870121 263279417 /nfs/dbraw/zinc/27/94/17/263279417.db2.gz AEIZKTUMHNYPLL-CQSZACIVSA-N 1 2 260.312 1.886 20 30 CDEDLO O=C(N[C@@H]1CCO[C@@H]1C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328905034 263898747 /nfs/dbraw/zinc/89/87/47/263898747.db2.gz JUAKNGDRRDFRGB-MRVWCRGKSA-N 1 2 275.352 1.970 20 30 CDEDLO CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2cn[nH]c2C)C1 ZINC000330969151 264091748 /nfs/dbraw/zinc/09/17/48/264091748.db2.gz DYSMHTXQZUQSQS-LBPRGKRZSA-N 1 2 279.388 1.454 20 30 CDEDLO CC[N@H+]1CCC[C@@H](CNC(=O)NCc2cn[nH]c2C)C1 ZINC000330969151 264091751 /nfs/dbraw/zinc/09/17/51/264091751.db2.gz DYSMHTXQZUQSQS-LBPRGKRZSA-N 1 2 279.388 1.454 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cn(C(C)(C)C)nn1 ZINC000331106213 264125698 /nfs/dbraw/zinc/12/56/98/264125698.db2.gz QYJPDZKBLKTFPM-LLVKDONJSA-N 1 2 295.387 1.058 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cn(C(C)(C)C)nn1 ZINC000331106213 264125701 /nfs/dbraw/zinc/12/57/01/264125701.db2.gz QYJPDZKBLKTFPM-LLVKDONJSA-N 1 2 295.387 1.058 20 30 CDEDLO Cc1[nH]ccc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000331135089 264134590 /nfs/dbraw/zinc/13/45/90/264134590.db2.gz HYIWEIUQJAFKOZ-JTQLQIEISA-N 1 2 251.330 1.348 20 30 CDEDLO Cc1[nH]ccc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000331135089 264134593 /nfs/dbraw/zinc/13/45/93/264134593.db2.gz HYIWEIUQJAFKOZ-JTQLQIEISA-N 1 2 251.330 1.348 20 30 CDEDLO Cc1cc(C)c(NC(=O)N(C)CC(C)(CO)CO)c(C)[nH+]1 ZINC000331226783 264150665 /nfs/dbraw/zinc/15/06/65/264150665.db2.gz CZPTZVVAMXHJGL-UHFFFAOYSA-N 1 2 295.383 1.475 20 30 CDEDLO CCc1ccc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)c(O)c1 ZINC000331248029 264180157 /nfs/dbraw/zinc/18/01/57/264180157.db2.gz WMMPVAJFLYHHPW-GFCCVEGCSA-N 1 2 292.379 1.980 20 30 CDEDLO CCc1ccc(C(=O)NCC[N@H+]2CCOC[C@H]2C)c(O)c1 ZINC000331248029 264180159 /nfs/dbraw/zinc/18/01/59/264180159.db2.gz WMMPVAJFLYHHPW-GFCCVEGCSA-N 1 2 292.379 1.980 20 30 CDEDLO C=CC[N@H+](Cc1nnc2n1CCCC2)[C@H](C)COC ZINC000661239336 424071419 /nfs/dbraw/zinc/07/14/19/424071419.db2.gz FVWUWWVVCOIPED-GFCCVEGCSA-N 1 2 264.373 1.637 20 30 CDEDLO C=CC[N@@H+](Cc1nnc2n1CCCC2)[C@H](C)COC ZINC000661239336 424071425 /nfs/dbraw/zinc/07/14/25/424071425.db2.gz FVWUWWVVCOIPED-GFCCVEGCSA-N 1 2 264.373 1.637 20 30 CDEDLO C=CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000659094135 424277463 /nfs/dbraw/zinc/27/74/63/424277463.db2.gz HEHWSNIYZDXOMC-NSHDSACASA-N 1 2 288.351 1.417 20 30 CDEDLO C=CCCn1cc(C[N@@H+](C)[C@H]2CCCOC2)nn1 ZINC000653671735 424409832 /nfs/dbraw/zinc/40/98/32/424409832.db2.gz UBSKKFBXRIYWIX-ZDUSSCGKSA-N 1 2 250.346 1.465 20 30 CDEDLO C=CCCn1cc(C[N@H+](C)[C@H]2CCCOC2)nn1 ZINC000653671735 424409838 /nfs/dbraw/zinc/40/98/38/424409838.db2.gz UBSKKFBXRIYWIX-ZDUSSCGKSA-N 1 2 250.346 1.465 20 30 CDEDLO CC#CCCNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000361648832 266866474 /nfs/dbraw/zinc/86/64/74/266866474.db2.gz UWPJEWIWXNRBNT-ZIAGYGMSSA-N 1 2 274.368 1.889 20 30 CDEDLO C=C(Br)C[N@@H+]1CCCN(C(=O)CC)CC1 ZINC000368771779 267202638 /nfs/dbraw/zinc/20/26/38/267202638.db2.gz CUVLNJCAZRLTEH-UHFFFAOYSA-N 1 2 275.190 1.839 20 30 CDEDLO C=C(Br)C[N@H+]1CCCN(C(=O)CC)CC1 ZINC000368771779 267202637 /nfs/dbraw/zinc/20/26/37/267202637.db2.gz CUVLNJCAZRLTEH-UHFFFAOYSA-N 1 2 275.190 1.839 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000370034184 267285093 /nfs/dbraw/zinc/28/50/93/267285093.db2.gz XBYHXOGBFXIJHW-ZFWWWQNUSA-N 1 2 278.396 1.686 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000370034184 267285095 /nfs/dbraw/zinc/28/50/95/267285095.db2.gz XBYHXOGBFXIJHW-ZFWWWQNUSA-N 1 2 278.396 1.686 20 30 CDEDLO Cc1cc(N2CCN(CC(F)(F)F)CC2)c(C#N)c[nH+]1 ZINC000399563671 267339632 /nfs/dbraw/zinc/33/96/32/267339632.db2.gz HPFCEZRTGPJQLT-UHFFFAOYSA-N 1 2 284.285 1.946 20 30 CDEDLO N#Cc1cc(N2CC[NH+](Cc3ccccn3)CC2)ncn1 ZINC000527130396 268184667 /nfs/dbraw/zinc/18/46/67/268184667.db2.gz UFYQHYWBZUUEKK-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1[nH+]cnc2c1cnn2C ZINC000281700562 275419709 /nfs/dbraw/zinc/41/97/09/275419709.db2.gz HDDSENCYNHFNFF-PWSUYJOCSA-N 1 2 273.340 1.756 20 30 CDEDLO CN1CC[N@H+](CCOc2cccc(C#N)c2)C(C)(C)C1=O ZINC000094865815 277106522 /nfs/dbraw/zinc/10/65/22/277106522.db2.gz NUXXXMVGMYPACA-UHFFFAOYSA-N 1 2 287.363 1.490 20 30 CDEDLO CN1CC[N@@H+](CCOc2cccc(C#N)c2)C(C)(C)C1=O ZINC000094865815 277106524 /nfs/dbraw/zinc/10/65/24/277106524.db2.gz NUXXXMVGMYPACA-UHFFFAOYSA-N 1 2 287.363 1.490 20 30 CDEDLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000120801733 279364178 /nfs/dbraw/zinc/36/41/78/279364178.db2.gz AIRPZJFGWGGDNS-SNVBAGLBSA-N 1 2 284.356 1.562 20 30 CDEDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000120801733 279364181 /nfs/dbraw/zinc/36/41/81/279364181.db2.gz AIRPZJFGWGGDNS-SNVBAGLBSA-N 1 2 284.356 1.562 20 30 CDEDLO O=C1NC(=O)N2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]12 ZINC000329468094 280277009 /nfs/dbraw/zinc/27/70/09/280277009.db2.gz XCYBARCOGMUAGZ-CYBMUJFWSA-N 1 2 287.294 1.254 20 30 CDEDLO O=C1NC(=O)N2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]12 ZINC000329468094 280277011 /nfs/dbraw/zinc/27/70/11/280277011.db2.gz XCYBARCOGMUAGZ-CYBMUJFWSA-N 1 2 287.294 1.254 20 30 CDEDLO Cc1cc(NS(=O)(=O)c2ccc(C#N)c(F)c2)cc[nH+]1 ZINC000427772294 280299619 /nfs/dbraw/zinc/29/96/19/280299619.db2.gz UPNGXJDYGHTIPB-UHFFFAOYSA-N 1 2 291.307 1.624 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000355273485 327933795 /nfs/dbraw/zinc/93/37/95/327933795.db2.gz WKMPLWMJXCGEQW-SMDDNHRTSA-N 1 2 263.341 1.063 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC[C@H](C)C#N)CCC2 ZINC000541021833 328039470 /nfs/dbraw/zinc/03/94/70/328039470.db2.gz ZAGATWVFZXTQIU-ZYHUDNBSSA-N 1 2 275.356 1.528 20 30 CDEDLO COCc1cccc(NC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000571075138 328084479 /nfs/dbraw/zinc/08/44/79/328084479.db2.gz KRGKVMQLKCBNCH-OAHLLOKOSA-N 1 2 277.368 1.451 20 30 CDEDLO COCc1cccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000571075138 328084481 /nfs/dbraw/zinc/08/44/81/328084481.db2.gz KRGKVMQLKCBNCH-OAHLLOKOSA-N 1 2 277.368 1.451 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCCOc1ccccc1 ZINC000571535589 328132152 /nfs/dbraw/zinc/13/21/52/328132152.db2.gz QCCSVUFHJLQNHE-CYBMUJFWSA-N 1 2 275.352 1.463 20 30 CDEDLO NC(=[NH+]OCc1ccn(C2CCCC2)n1)[C@@H]1CCCO1 ZINC000284434645 328245906 /nfs/dbraw/zinc/24/59/06/328245906.db2.gz OZHMMNCMRPEZIS-ZDUSSCGKSA-N 1 2 278.356 1.966 20 30 CDEDLO C[C@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)[C@@H](C)CO1 ZINC000579593757 324229221 /nfs/dbraw/zinc/22/92/21/324229221.db2.gz RUSIMWLRLONUAL-QWRGUYRKSA-N 1 2 271.324 1.210 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)[C@@H](C)CO1 ZINC000579593757 324229225 /nfs/dbraw/zinc/22/92/25/324229225.db2.gz RUSIMWLRLONUAL-QWRGUYRKSA-N 1 2 271.324 1.210 20 30 CDEDLO C=CCC[C@H](O)C[NH2+][C@H](C(=O)OC)[C@@H]1CCC[C@H](OC)C1 ZINC000566013365 327114492 /nfs/dbraw/zinc/11/44/92/327114492.db2.gz NTOIZHGQRRAJJP-QPSCCSFWSA-N 1 2 299.411 1.650 20 30 CDEDLO C[C@H](CCC#N)[NH+]1CCC(CS(C)(=O)=O)CC1 ZINC000518541963 327173592 /nfs/dbraw/zinc/17/35/92/327173592.db2.gz FGXWFIANAONGGK-LLVKDONJSA-N 1 2 258.387 1.435 20 30 CDEDLO N#CCCCS(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000111335523 327279655 /nfs/dbraw/zinc/27/96/55/327279655.db2.gz QMJGZTXGBFNQQK-UHFFFAOYSA-N 1 2 282.369 1.154 20 30 CDEDLO C=CCN(CCOC)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000357826976 328876436 /nfs/dbraw/zinc/87/64/36/328876436.db2.gz NEXCBYMMCZIUFL-ZDUSSCGKSA-N 1 2 292.383 1.715 20 30 CDEDLO N#C[C@H]1CC[C@@H]([NH2+]Cc2n[nH]cc2Br)C1 ZINC000389666479 328949173 /nfs/dbraw/zinc/94/91/73/328949173.db2.gz ORLSMETXUCDOBC-JGVFFNPUSA-N 1 2 269.146 1.954 20 30 CDEDLO C=CCCCS(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000582462449 329086525 /nfs/dbraw/zinc/08/65/25/329086525.db2.gz ZUXKKKDOMWYNFY-UHFFFAOYSA-N 1 2 255.343 1.036 20 30 CDEDLO CSCCC[N@H+](CCC#N)CCN1CCOCC1 ZINC000174831810 329163551 /nfs/dbraw/zinc/16/35/51/329163551.db2.gz XZJOGHIGNIJYQX-UHFFFAOYSA-N 1 2 271.430 1.287 20 30 CDEDLO CSCCC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000174831810 329163553 /nfs/dbraw/zinc/16/35/53/329163553.db2.gz XZJOGHIGNIJYQX-UHFFFAOYSA-N 1 2 271.430 1.287 20 30 CDEDLO CSCCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000174831810 329163555 /nfs/dbraw/zinc/16/35/55/329163555.db2.gz XZJOGHIGNIJYQX-UHFFFAOYSA-N 1 2 271.430 1.287 20 30 CDEDLO COC(=O)[C@@H]([NH+]1CCC(F)(C#N)CC1)C1(OC)CCC1 ZINC000459460657 329255828 /nfs/dbraw/zinc/25/58/28/329255828.db2.gz IUCLWNZZDCKNMT-LLVKDONJSA-N 1 2 284.331 1.425 20 30 CDEDLO CC1(C#N)CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000582996744 329300147 /nfs/dbraw/zinc/30/01/47/329300147.db2.gz WERFNZMFHDOZSB-UHFFFAOYSA-N 1 2 294.358 1.846 20 30 CDEDLO C=C(C)CN(C)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000418756914 329548402 /nfs/dbraw/zinc/54/84/02/329548402.db2.gz JDPWPFVUPVAYJK-JTQLQIEISA-N 1 2 261.316 1.449 20 30 CDEDLO C#CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CC1 ZINC000278297525 330119044 /nfs/dbraw/zinc/11/90/44/330119044.db2.gz CLOYHUKISDSKFL-UHFFFAOYSA-N 1 2 276.292 1.907 20 30 CDEDLO CC(C)([NH2+]CC(=O)NC1(C#N)CCC1)c1nccs1 ZINC000527135661 330225730 /nfs/dbraw/zinc/22/57/30/330225730.db2.gz GYCLAVCTWNYVRE-UHFFFAOYSA-N 1 2 278.381 1.530 20 30 CDEDLO N#CC1(CN2CCN(Cc3[nH]cc[nH+]3)CC2)CCC1 ZINC000450407032 330976954 /nfs/dbraw/zinc/97/69/54/330976954.db2.gz SNGTVLMIKLSCGF-UHFFFAOYSA-N 1 2 259.357 1.221 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1noc(CCCC)n1 ZINC000451601544 331035818 /nfs/dbraw/zinc/03/58/18/331035818.db2.gz AFYKGDQUTIBASD-MNOVXSKESA-N 1 2 251.330 1.845 20 30 CDEDLO C=CC(C)(C)CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000455389030 331168500 /nfs/dbraw/zinc/16/85/00/331168500.db2.gz SIYKFBIRJHCQFL-KGLIPLIRSA-N 1 2 295.427 1.703 20 30 CDEDLO C=C(C)CCNC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000456116974 331184624 /nfs/dbraw/zinc/18/46/24/331184624.db2.gz FTDSHLVGBNADMY-KBPBESRZSA-N 1 2 268.401 1.958 20 30 CDEDLO C=C(C)CCNC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000456116974 331184625 /nfs/dbraw/zinc/18/46/25/331184625.db2.gz FTDSHLVGBNADMY-KBPBESRZSA-N 1 2 268.401 1.958 20 30 CDEDLO C=CCCCS(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000489131119 332042288 /nfs/dbraw/zinc/04/22/88/332042288.db2.gz KIWBKQIVBNFWFK-UHFFFAOYSA-N 1 2 260.403 1.308 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1cc(F)cc(F)c1 ZINC000490759618 332112727 /nfs/dbraw/zinc/11/27/27/332112727.db2.gz DJTHWSZOIWKZBT-UHFFFAOYSA-N 1 2 252.264 1.858 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1cc(F)cc(F)c1 ZINC000490759618 332112728 /nfs/dbraw/zinc/11/27/28/332112728.db2.gz DJTHWSZOIWKZBT-UHFFFAOYSA-N 1 2 252.264 1.858 20 30 CDEDLO C#CC[NH+](CC#C)CCC(=O)c1ccc(OC)cc1 ZINC000491070827 332146268 /nfs/dbraw/zinc/14/62/68/332146268.db2.gz FZXCVLMNIWQSIP-UHFFFAOYSA-N 1 2 255.317 1.836 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)CCOC2CCC2)n1 ZINC000491179077 332160875 /nfs/dbraw/zinc/16/08/75/332160875.db2.gz CZTSYYJMFPXMDT-UHFFFAOYSA-N 1 2 291.395 1.534 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)CCOC2CCC2)n1 ZINC000491179077 332160876 /nfs/dbraw/zinc/16/08/76/332160876.db2.gz CZTSYYJMFPXMDT-UHFFFAOYSA-N 1 2 291.395 1.534 20 30 CDEDLO C#CC[N@@H+](Cc1nc2ccc(OC)nc2[nH]1)C1CC1 ZINC000491277941 332179800 /nfs/dbraw/zinc/17/98/00/332179800.db2.gz QVUBMQCNWGOBFC-UHFFFAOYSA-N 1 2 256.309 1.564 20 30 CDEDLO C#CC[N@H+](Cc1nc2ccc(OC)nc2[nH]1)C1CC1 ZINC000491277941 332179803 /nfs/dbraw/zinc/17/98/03/332179803.db2.gz QVUBMQCNWGOBFC-UHFFFAOYSA-N 1 2 256.309 1.564 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000491486309 332220675 /nfs/dbraw/zinc/22/06/75/332220675.db2.gz VDDJHSUVVZTINT-UWVGGRQHSA-N 1 2 287.285 1.936 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000491556388 332237884 /nfs/dbraw/zinc/23/78/84/332237884.db2.gz XLWOYOQLYHOTDR-GFCCVEGCSA-N 1 2 287.363 1.280 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000491556388 332237886 /nfs/dbraw/zinc/23/78/86/332237886.db2.gz XLWOYOQLYHOTDR-GFCCVEGCSA-N 1 2 287.363 1.280 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccc(F)cc1 ZINC000491660683 332270847 /nfs/dbraw/zinc/27/08/47/332270847.db2.gz MTVPQWLZFAJWHC-CQSZACIVSA-N 1 2 276.311 1.488 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(F)cc1 ZINC000491660683 332270849 /nfs/dbraw/zinc/27/08/49/332270849.db2.gz MTVPQWLZFAJWHC-CQSZACIVSA-N 1 2 276.311 1.488 20 30 CDEDLO C#C[C@H](CC)NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000491707671 332300390 /nfs/dbraw/zinc/30/03/90/332300390.db2.gz SHZWMZJLEWBYSW-CHWSQXEVSA-N 1 2 274.368 1.780 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000491734734 332315525 /nfs/dbraw/zinc/31/55/25/332315525.db2.gz BWMDDYRWEIERGY-ZDUSSCGKSA-N 1 2 270.336 1.935 20 30 CDEDLO C#CCN(C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000491756828 332329833 /nfs/dbraw/zinc/32/98/33/332329833.db2.gz AIIXZFONOJFJCA-JTQLQIEISA-N 1 2 258.325 1.074 20 30 CDEDLO C#CCN(C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000491756828 332329834 /nfs/dbraw/zinc/32/98/34/332329834.db2.gz AIIXZFONOJFJCA-JTQLQIEISA-N 1 2 258.325 1.074 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000491769216 332336381 /nfs/dbraw/zinc/33/63/81/332336381.db2.gz JZZFZJQYKKEBME-AWEZNQCLSA-N 1 2 269.348 1.887 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000491769216 332336382 /nfs/dbraw/zinc/33/63/82/332336382.db2.gz JZZFZJQYKKEBME-AWEZNQCLSA-N 1 2 269.348 1.887 20 30 CDEDLO C=CC[C@@H](CO)NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000185832879 333149832 /nfs/dbraw/zinc/14/98/32/333149832.db2.gz XEPDYERKBFHFJG-PPYMECGQSA-N 1 2 297.358 1.939 20 30 CDEDLO CN(C)c1noc(C[NH+]2CCC(CCC#N)CC2)n1 ZINC000575865185 335125291 /nfs/dbraw/zinc/12/52/91/335125291.db2.gz QYSBTAFHKIWZBP-UHFFFAOYSA-N 1 2 263.345 1.651 20 30 CDEDLO CO[C@@H](Cc1ccccc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000521882345 333195493 /nfs/dbraw/zinc/19/54/93/333195493.db2.gz FOWCXSCABKMPLV-GOEBONIOSA-N 1 2 289.379 1.204 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000192223306 333232645 /nfs/dbraw/zinc/23/26/45/333232645.db2.gz CURIYNHDZQJEOX-UHFFFAOYSA-N 1 2 296.374 1.993 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000192223306 333232646 /nfs/dbraw/zinc/23/26/46/333232646.db2.gz CURIYNHDZQJEOX-UHFFFAOYSA-N 1 2 296.374 1.993 20 30 CDEDLO CN(C)c1cccc(C[NH2+]C[C@@H](C#N)CCC#N)n1 ZINC000549920174 334208792 /nfs/dbraw/zinc/20/87/92/334208792.db2.gz RMQKXVSWQILIHE-GFCCVEGCSA-N 1 2 257.341 1.681 20 30 CDEDLO C[C@H]1C[C@@]1(C#N)C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000572540642 334405591 /nfs/dbraw/zinc/40/55/91/334405591.db2.gz HAWJPVHDVLELMD-HZMBPMFUSA-N 1 2 285.338 1.629 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000565836871 334601617 /nfs/dbraw/zinc/60/16/17/334601617.db2.gz VLHRMNJZJKBTRN-GUTXKFCHSA-N 1 2 277.368 1.932 20 30 CDEDLO CCC[C@@H]1C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CCO1 ZINC000576707550 335238036 /nfs/dbraw/zinc/23/80/36/335238036.db2.gz SCAMGVGGGFVVMZ-UMVBOHGHSA-N 1 2 281.400 1.542 20 30 CDEDLO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)CC(C)(C)C)C1 ZINC001753646870 1159867573 /nfs/dbraw/zinc/86/75/73/1159867573.db2.gz ZRJWLDDWQFNLID-AWEZNQCLSA-N 1 2 298.427 1.442 20 30 CDEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)CC(C)(C)C)C1 ZINC001753646870 1159867584 /nfs/dbraw/zinc/86/75/84/1159867584.db2.gz ZRJWLDDWQFNLID-AWEZNQCLSA-N 1 2 298.427 1.442 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C1(CCOC)CC1 ZINC001482601845 1160539921 /nfs/dbraw/zinc/53/99/21/1160539921.db2.gz MUBUTEBUIMWISV-UHFFFAOYSA-N 1 2 288.819 1.946 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C1(CCOC)CC1 ZINC001482601845 1160539925 /nfs/dbraw/zinc/53/99/25/1160539925.db2.gz MUBUTEBUIMWISV-UHFFFAOYSA-N 1 2 288.819 1.946 20 30 CDEDLO COCC#CC[NH2+]C1(c2noc(C)n2)CCCCC1 ZINC000677819263 482300486 /nfs/dbraw/zinc/30/04/86/482300486.db2.gz VOZYCAZGISTFIJ-UHFFFAOYSA-N 1 2 263.341 1.777 20 30 CDEDLO CCC#C[C@H](C)[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000677046614 482518100 /nfs/dbraw/zinc/51/81/00/482518100.db2.gz CFEQJNASLXOMEB-HNNXBMFYSA-N 1 2 277.412 1.028 20 30 CDEDLO CCC#C[C@H](C)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000677046614 482518105 /nfs/dbraw/zinc/51/81/05/482518105.db2.gz CFEQJNASLXOMEB-HNNXBMFYSA-N 1 2 277.412 1.028 20 30 CDEDLO COCC#CC[NH2+][C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000677818962 482795438 /nfs/dbraw/zinc/79/54/38/482795438.db2.gz MJCOVEVMLBLBJB-CQSZACIVSA-N 1 2 280.755 1.280 20 30 CDEDLO C=CCOCC(=O)N1C[C@H](C)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001112305466 1161041076 /nfs/dbraw/zinc/04/10/76/1161041076.db2.gz XUCWMKJODCKYDA-WCQYABFASA-N 1 2 290.367 1.246 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCCC(C)C)CC1 ZINC001113376889 1162163406 /nfs/dbraw/zinc/16/34/06/1162163406.db2.gz WLUUAPCZCAEEND-UHFFFAOYSA-N 1 2 250.386 1.980 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCOCC12CC2 ZINC000338592282 522035744 /nfs/dbraw/zinc/03/57/44/522035744.db2.gz KCOANNHEUUPTPK-UHFFFAOYSA-N 1 2 258.321 1.932 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCOCC12CC2 ZINC000338592282 522035751 /nfs/dbraw/zinc/03/57/51/522035751.db2.gz KCOANNHEUUPTPK-UHFFFAOYSA-N 1 2 258.321 1.932 20 30 CDEDLO C=CCO[C@H](C)C(=O)NC[C@@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113639709 1162244522 /nfs/dbraw/zinc/24/45/22/1162244522.db2.gz JDRWTHBQDYASNQ-VXGBXAGGSA-N 1 2 292.383 1.317 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@H](C)c1nnn(-c2ccccc2)c1C ZINC000347347206 526573805 /nfs/dbraw/zinc/57/38/05/526573805.db2.gz RILBWUJCIYVRKN-GFCCVEGCSA-N 1 2 299.378 1.529 20 30 CDEDLO C=C(C)COCCNC(=O)NCCNc1cccc[nH+]1 ZINC000354474441 526639940 /nfs/dbraw/zinc/63/99/40/526639940.db2.gz JVTOSKSUHIMOIT-UHFFFAOYSA-N 1 2 278.356 1.385 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000367183769 526677590 /nfs/dbraw/zinc/67/75/90/526677590.db2.gz DCUWETHMPKJXOZ-LBPRGKRZSA-N 1 2 283.397 1.505 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1noc(C)n1 ZINC000332402391 527455927 /nfs/dbraw/zinc/45/59/27/527455927.db2.gz WGAOGBZSFZAMGV-NEPJUHHUSA-N 1 2 251.330 1.842 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1noc(C)n1 ZINC000332402391 527455932 /nfs/dbraw/zinc/45/59/32/527455932.db2.gz WGAOGBZSFZAMGV-NEPJUHHUSA-N 1 2 251.330 1.842 20 30 CDEDLO C=CCC[C@H](O)C[NH2+][C@H](C(=O)OCC)[C@@H]1CCCOC1 ZINC000347577049 527494743 /nfs/dbraw/zinc/49/47/43/527494743.db2.gz BUBWMYLHCPIGOE-RDBSUJKOSA-N 1 2 285.384 1.261 20 30 CDEDLO C=CCC[C@H](O)C[NH2+][C@H](C(=O)OCC)[C@H]1CCCOC1 ZINC000347577046 527494863 /nfs/dbraw/zinc/49/48/63/527494863.db2.gz BUBWMYLHCPIGOE-IHRRRGAJSA-N 1 2 285.384 1.261 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000347616787 527618005 /nfs/dbraw/zinc/61/80/05/527618005.db2.gz VOYXFWYTPSDITR-GOEBONIOSA-N 1 2 298.427 1.442 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000347616787 527618008 /nfs/dbraw/zinc/61/80/08/527618008.db2.gz VOYXFWYTPSDITR-GOEBONIOSA-N 1 2 298.427 1.442 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000356060150 527628663 /nfs/dbraw/zinc/62/86/63/527628663.db2.gz OUONBKJDWXIYPD-HIFRSBDPSA-N 1 2 276.336 1.388 20 30 CDEDLO C[C@H](CNC(=O)COc1ccsc1)[NH+]1CCOCC1 ZINC000328646652 538243745 /nfs/dbraw/zinc/24/37/45/538243745.db2.gz GYUAKEMUWHPJDO-LLVKDONJSA-N 1 2 284.381 1.804 20 30 CDEDLO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccn[nH]2)cc1 ZINC000742369832 574420536 /nfs/dbraw/zinc/42/05/36/574420536.db2.gz GPLMGVNFWAOBAH-NSHDSACASA-N 1 2 256.309 1.990 20 30 CDEDLO CC(=O)N(C)C1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000112560043 1174844503 /nfs/dbraw/zinc/84/45/03/1174844503.db2.gz ZHYCIQRKOLRXOR-ZDUSSCGKSA-N 1 2 262.357 1.373 20 30 CDEDLO C#Cc1ccc(C(=O)N(C)Cc2[nH+]ccn2C)nc1 ZINC000728857721 574657432 /nfs/dbraw/zinc/65/74/32/574657432.db2.gz WGAOZQSEWNKJNQ-UHFFFAOYSA-N 1 2 254.293 1.069 20 30 CDEDLO C=C(C)CNC(=S)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000729649236 574819585 /nfs/dbraw/zinc/81/95/85/574819585.db2.gz WMLOGBHIKLMZHN-RYUDHWBXSA-N 1 2 271.430 1.136 20 30 CDEDLO Oc1ccccc1/C=[NH+]/Cc1nnnn1-c1ccccc1 ZINC000730434247 574981548 /nfs/dbraw/zinc/98/15/48/574981548.db2.gz IFHLVXBESCUOIK-MHWRWJLKSA-N 1 2 279.303 1.987 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ncc(CC)s1 ZINC000742806941 576618020 /nfs/dbraw/zinc/61/80/20/576618020.db2.gz ZLDOEMFPUHWVSK-NSHDSACASA-N 1 2 263.366 1.742 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ncc(CC)s1 ZINC000742806941 576618022 /nfs/dbraw/zinc/61/80/22/576618022.db2.gz ZLDOEMFPUHWVSK-NSHDSACASA-N 1 2 263.366 1.742 20 30 CDEDLO N#CC1(NC(=O)c2ccc(-n3cc[nH+]c3)nc2)CCOCC1 ZINC000734455635 575346409 /nfs/dbraw/zinc/34/64/09/575346409.db2.gz JHDJVMWDLLBYTN-UHFFFAOYSA-N 1 2 297.318 1.070 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000769977568 575405248 /nfs/dbraw/zinc/40/52/48/575405248.db2.gz KOJORZWITXLHEA-SECBINFHSA-N 1 2 296.273 1.900 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000769977568 575405250 /nfs/dbraw/zinc/40/52/50/575405250.db2.gz KOJORZWITXLHEA-SECBINFHSA-N 1 2 296.273 1.900 20 30 CDEDLO Cc1cc(C)n(N=Cc2cccc3[nH+]ccn32)c(=O)c1C#N ZINC000771096230 575548823 /nfs/dbraw/zinc/54/88/23/575548823.db2.gz CVACTHYGQGHXNB-UHFFFAOYSA-N 1 2 291.314 1.867 20 30 CDEDLO C=CC[N@@H+](C)CN1C(=O)N[C@](C)(C(C)(C)C)C1=O ZINC000773324334 575801695 /nfs/dbraw/zinc/80/16/95/575801695.db2.gz GNMOREVRCHFXOF-ZDUSSCGKSA-N 1 2 253.346 1.418 20 30 CDEDLO C=CC[N@H+](C)CN1C(=O)N[C@](C)(C(C)(C)C)C1=O ZINC000773324334 575801698 /nfs/dbraw/zinc/80/16/98/575801698.db2.gz GNMOREVRCHFXOF-ZDUSSCGKSA-N 1 2 253.346 1.418 20 30 CDEDLO C#C[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)[C@@H]1CCCO1 ZINC000773548221 575823351 /nfs/dbraw/zinc/82/33/51/575823351.db2.gz LMRPVVIREWAHQW-KBPBESRZSA-N 1 2 298.346 1.314 20 30 CDEDLO CON=CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000773953180 575845644 /nfs/dbraw/zinc/84/56/44/575845644.db2.gz GMBXFRNGVOHCND-UHFFFAOYSA-N 1 2 258.281 1.121 20 30 CDEDLO C[C@H]1C[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)CCCO1 ZINC000766637019 576118179 /nfs/dbraw/zinc/11/81/79/576118179.db2.gz LDIZEWUEMJWMDS-LBPRGKRZSA-N 1 2 287.363 1.277 20 30 CDEDLO C[C@H]1C[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)CCCO1 ZINC000766637019 576118181 /nfs/dbraw/zinc/11/81/81/576118181.db2.gz LDIZEWUEMJWMDS-LBPRGKRZSA-N 1 2 287.363 1.277 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767525713 576201684 /nfs/dbraw/zinc/20/16/84/576201684.db2.gz NAHWGTRSCCOUHW-MELADBBJSA-N 1 2 283.368 1.374 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767525713 576201685 /nfs/dbraw/zinc/20/16/85/576201685.db2.gz NAHWGTRSCCOUHW-MELADBBJSA-N 1 2 283.368 1.374 20 30 CDEDLO C#CCOc1ccccc1C[N@H+](CC)CC(=O)NC ZINC000768304228 576269748 /nfs/dbraw/zinc/26/97/48/576269748.db2.gz ZQYUHKZPNUFOEA-UHFFFAOYSA-N 1 2 260.337 1.267 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+](CC)CC(=O)NC ZINC000768304228 576269750 /nfs/dbraw/zinc/26/97/50/576269750.db2.gz ZQYUHKZPNUFOEA-UHFFFAOYSA-N 1 2 260.337 1.267 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)nc1 ZINC000759469095 576392753 /nfs/dbraw/zinc/39/27/53/576392753.db2.gz JRJLRYDQHQCAQN-CJNGLKHVSA-N 1 2 294.358 1.983 20 30 CDEDLO C[N@H+](CC(=O)NCCC#N)Cc1ccc(F)c(Cl)c1 ZINC000763822672 576759337 /nfs/dbraw/zinc/75/93/37/576759337.db2.gz FUVYZRILGTXAKL-UHFFFAOYSA-N 1 2 283.734 1.941 20 30 CDEDLO C[N@@H+](CC(=O)NCCC#N)Cc1ccc(F)c(Cl)c1 ZINC000763822672 576759338 /nfs/dbraw/zinc/75/93/38/576759338.db2.gz FUVYZRILGTXAKL-UHFFFAOYSA-N 1 2 283.734 1.941 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CN2c3ccccc3C[C@@H]2C)CC1 ZINC000746495994 576779228 /nfs/dbraw/zinc/77/92/28/576779228.db2.gz RLPVYRZZZWHDBU-HNNXBMFYSA-N 1 2 297.402 1.215 20 30 CDEDLO C#CC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000753897344 576865089 /nfs/dbraw/zinc/86/50/89/576865089.db2.gz SAMWDJFZPHBQAZ-UHFFFAOYSA-N 1 2 272.348 1.281 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000747669950 576880047 /nfs/dbraw/zinc/88/00/47/576880047.db2.gz KEZDAUHYNOENLY-JTQLQIEISA-N 1 2 266.794 1.000 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000747669950 576880048 /nfs/dbraw/zinc/88/00/48/576880048.db2.gz KEZDAUHYNOENLY-JTQLQIEISA-N 1 2 266.794 1.000 20 30 CDEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2cccc(C#N)c2)C1 ZINC000748462808 576913754 /nfs/dbraw/zinc/91/37/54/576913754.db2.gz YIQKCSBEHPVCIL-CQSZACIVSA-N 1 2 274.320 1.322 20 30 CDEDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2cccc(C#N)c2)C1 ZINC000748462808 576913755 /nfs/dbraw/zinc/91/37/55/576913755.db2.gz YIQKCSBEHPVCIL-CQSZACIVSA-N 1 2 274.320 1.322 20 30 CDEDLO C#CCNC(=O)C[NH2+][C@H](C)c1nc(C2CCCCC2)no1 ZINC000755069381 576929365 /nfs/dbraw/zinc/92/93/65/576929365.db2.gz RNNMTNWFVXBNIR-LLVKDONJSA-N 1 2 290.367 1.517 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)C2(c3ccccc3OC)CC2)CC1 ZINC000749275183 576941998 /nfs/dbraw/zinc/94/19/98/576941998.db2.gz WTSVEKCIEIDOPK-UHFFFAOYSA-N 1 2 298.386 1.504 20 30 CDEDLO Cn1c[nH+]cc1CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000755463958 576945979 /nfs/dbraw/zinc/94/59/79/576945979.db2.gz HPZFWDBLMUSYAO-UHFFFAOYSA-N 1 2 290.239 1.683 20 30 CDEDLO Cn1c[nH+]cc1C=NNC(=S)NCc1ccccc1 ZINC000755505523 576947500 /nfs/dbraw/zinc/94/75/00/576947500.db2.gz LRSQATUXPFBPSV-UHFFFAOYSA-N 1 2 273.365 1.418 20 30 CDEDLO CC(C)S(=O)(=O)NN=C1CCN(c2cccc[nH+]2)CC1 ZINC000749747677 576960743 /nfs/dbraw/zinc/96/07/43/576960743.db2.gz KFQSLQMTGYTZLJ-UHFFFAOYSA-N 1 2 296.396 1.366 20 30 CDEDLO C[N@@H+]1CCCC(=NNc2cnnc(O)c2Cl)CC1 ZINC000758098862 577071910 /nfs/dbraw/zinc/07/19/10/577071910.db2.gz WZIFXADPOPDDCR-UHFFFAOYSA-N 1 2 269.736 1.719 20 30 CDEDLO C[N@H+]1CCCC(=NNc2cnnc(O)c2Cl)CC1 ZINC000758098862 577071912 /nfs/dbraw/zinc/07/19/12/577071912.db2.gz WZIFXADPOPDDCR-UHFFFAOYSA-N 1 2 269.736 1.719 20 30 CDEDLO C[C@H]1SCC[N@H+](Cn2cccc(C#N)c2=O)[C@H]1C ZINC000758222136 577084986 /nfs/dbraw/zinc/08/49/86/577084986.db2.gz INJOWQVHVPVLLS-WDEREUQCSA-N 1 2 263.366 1.503 20 30 CDEDLO C[C@H]1SCC[N@@H+](Cn2cccc(C#N)c2=O)[C@H]1C ZINC000758222136 577084988 /nfs/dbraw/zinc/08/49/88/577084988.db2.gz INJOWQVHVPVLLS-WDEREUQCSA-N 1 2 263.366 1.503 20 30 CDEDLO COC[C@@H]1CCC[N@@H+]1Cn1ccc(C)c(C#N)c1=O ZINC000758229322 577085767 /nfs/dbraw/zinc/08/57/67/577085767.db2.gz FKLXKOVKCBCSPO-LBPRGKRZSA-N 1 2 261.325 1.097 20 30 CDEDLO COC[C@@H]1CCC[N@H+]1Cn1ccc(C)c(C#N)c1=O ZINC000758229322 577085768 /nfs/dbraw/zinc/08/57/68/577085768.db2.gz FKLXKOVKCBCSPO-LBPRGKRZSA-N 1 2 261.325 1.097 20 30 CDEDLO C#CCNC(=S)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000758237148 577087721 /nfs/dbraw/zinc/08/77/21/577087721.db2.gz XVSAAJNXQNHUJB-ZDUSSCGKSA-N 1 2 288.420 1.268 20 30 CDEDLO C#CCNC(=S)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000758244626 577089565 /nfs/dbraw/zinc/08/95/65/577089565.db2.gz SORSIAWAJKTSHU-NWDGAFQWSA-N 1 2 262.382 1.274 20 30 CDEDLO C[C@@H]1C[N@H+](C)CC1=NNc1cnnc(O)c1Cl ZINC000752160518 577090991 /nfs/dbraw/zinc/09/09/91/577090991.db2.gz KDIQEFBHZHRHTO-ZCFIWIBFSA-N 1 2 255.709 1.185 20 30 CDEDLO C[C@@H]1C[N@@H+](C)CC1=NNc1cnnc(O)c1Cl ZINC000752160518 577090992 /nfs/dbraw/zinc/09/09/92/577090992.db2.gz KDIQEFBHZHRHTO-ZCFIWIBFSA-N 1 2 255.709 1.185 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000820219061 607086955 /nfs/dbraw/zinc/08/69/55/607086955.db2.gz CCWNURQYEOUWJC-SECBINFHSA-N 1 2 274.303 1.740 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000820219061 607086956 /nfs/dbraw/zinc/08/69/56/607086956.db2.gz CCWNURQYEOUWJC-SECBINFHSA-N 1 2 274.303 1.740 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2c(Cl)cnn2C)C1 ZINC000950331784 612991652 /nfs/dbraw/zinc/99/16/52/612991652.db2.gz VQIHSDGHKYUPNS-UHFFFAOYSA-N 1 2 294.786 1.243 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccn(C(C)C)n2)C1 ZINC000952391263 612992516 /nfs/dbraw/zinc/99/25/16/612992516.db2.gz DYNFWHJXQOTYFA-UHFFFAOYSA-N 1 2 288.395 1.634 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cocc2C)C1 ZINC000951181317 612992788 /nfs/dbraw/zinc/99/27/88/612992788.db2.gz BESGLLNKMBZPRR-UHFFFAOYSA-N 1 2 260.337 1.758 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ncccc2CC)C1 ZINC000950691044 612993358 /nfs/dbraw/zinc/99/33/58/612993358.db2.gz WONGIQCEUHMKOF-UHFFFAOYSA-N 1 2 285.391 1.814 20 30 CDEDLO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971571376 613082172 /nfs/dbraw/zinc/08/21/72/613082172.db2.gz WBTFLPMTVPXORO-RKDXNWHRSA-N 1 2 266.238 1.053 20 30 CDEDLO C#CC[N@H+](C)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971571376 613082174 /nfs/dbraw/zinc/08/21/74/613082174.db2.gz WBTFLPMTVPXORO-RKDXNWHRSA-N 1 2 266.238 1.053 20 30 CDEDLO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000971571376 613082176 /nfs/dbraw/zinc/08/21/76/613082176.db2.gz WBTFLPMTVPXORO-RKDXNWHRSA-N 1 2 266.238 1.053 20 30 CDEDLO C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000971571376 613082177 /nfs/dbraw/zinc/08/21/77/613082177.db2.gz WBTFLPMTVPXORO-RKDXNWHRSA-N 1 2 266.238 1.053 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2nc(C)oc2C)CC1 ZINC000982601033 613160346 /nfs/dbraw/zinc/16/03/46/613160346.db2.gz KBBJNKZBFQBXEJ-UHFFFAOYSA-N 1 2 261.325 1.073 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2nc(C)oc2C)CC1 ZINC000982601033 613160347 /nfs/dbraw/zinc/16/03/47/613160347.db2.gz KBBJNKZBFQBXEJ-UHFFFAOYSA-N 1 2 261.325 1.073 20 30 CDEDLO C#Cc1ccc(C(=O)N(CC)C2C[NH+](CC)C2)nc1 ZINC000957294649 613166678 /nfs/dbraw/zinc/16/66/78/613166678.db2.gz IYOTYPDGSSQNPH-UHFFFAOYSA-N 1 2 257.337 1.229 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CC3(C)CC3)CC2)C1 ZINC000949415073 613210355 /nfs/dbraw/zinc/21/03/55/613210355.db2.gz OIRXJSBDLMGIEJ-UHFFFAOYSA-N 1 2 290.407 1.503 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CC3(C)CC3)CC2)C1 ZINC000949415073 613210357 /nfs/dbraw/zinc/21/03/57/613210357.db2.gz OIRXJSBDLMGIEJ-UHFFFAOYSA-N 1 2 290.407 1.503 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(C4CC4)CC3)C2)C1 ZINC000972423723 613211961 /nfs/dbraw/zinc/21/19/61/613211961.db2.gz FVLMRRNJCQKFSG-MRXNPFEDSA-N 1 2 288.391 1.113 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(C4CC4)CC3)C2)C1 ZINC000972423723 613211962 /nfs/dbraw/zinc/21/19/62/613211962.db2.gz FVLMRRNJCQKFSG-MRXNPFEDSA-N 1 2 288.391 1.113 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CC4(CC4)C3)C2)C1 ZINC000972548476 613212388 /nfs/dbraw/zinc/21/23/88/613212388.db2.gz JGHFWCHLSOFOBI-QGZVFWFLSA-N 1 2 288.391 1.113 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CC4(CC4)C3)C2)C1 ZINC000972548476 613212389 /nfs/dbraw/zinc/21/23/89/613212389.db2.gz JGHFWCHLSOFOBI-QGZVFWFLSA-N 1 2 288.391 1.113 20 30 CDEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCF)CC[C@@H]2C)c1 ZINC000968317011 613220565 /nfs/dbraw/zinc/22/05/65/613220565.db2.gz HUXULLGIOCECRX-SWLSCSKDSA-N 1 2 289.354 1.473 20 30 CDEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCF)CC[C@@H]2C)c1 ZINC000968317011 613220566 /nfs/dbraw/zinc/22/05/66/613220566.db2.gz HUXULLGIOCECRX-SWLSCSKDSA-N 1 2 289.354 1.473 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cn(C)nc2CC)C1 ZINC000950568701 613297109 /nfs/dbraw/zinc/29/71/09/613297109.db2.gz JTIHIYCQMYTPLY-UHFFFAOYSA-N 1 2 290.411 1.705 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnn3cccnc23)C1 ZINC000951114107 613297465 /nfs/dbraw/zinc/29/74/65/613297465.db2.gz RINHQRKAIHRANY-UHFFFAOYSA-N 1 2 299.378 1.452 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2ccns2)C(C)(C)C1 ZINC000974648067 613300762 /nfs/dbraw/zinc/30/07/62/613300762.db2.gz VFEKVVSYRCXYFE-NSHDSACASA-N 1 2 263.366 1.217 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2ccns2)C(C)(C)C1 ZINC000974648067 613300763 /nfs/dbraw/zinc/30/07/63/613300763.db2.gz VFEKVVSYRCXYFE-NSHDSACASA-N 1 2 263.366 1.217 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cn(C(C)(C)C)nn2)CC1 ZINC000948668986 613321266 /nfs/dbraw/zinc/32/12/66/613321266.db2.gz PZUVXCJEBXNHGO-UHFFFAOYSA-N 1 2 291.399 1.367 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2nn(C)cc2C)C1 ZINC000969654860 613371949 /nfs/dbraw/zinc/37/19/49/613371949.db2.gz TVMZRFFXHVKSRV-LLVKDONJSA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCOC2)C1 ZINC000969366574 613372183 /nfs/dbraw/zinc/37/21/83/613372183.db2.gz WBBTUHKAUAAZJG-QWRGUYRKSA-N 1 2 272.776 1.212 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cn[nH]c2)C1 ZINC000969342887 613372434 /nfs/dbraw/zinc/37/24/34/613372434.db2.gz RQGSWAYDNSNCCX-VIFPVBQESA-N 1 2 268.748 1.212 20 30 CDEDLO C=C(Cl)CN1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000957470508 613374760 /nfs/dbraw/zinc/37/47/60/613374760.db2.gz WFFFJFYOTBTWLT-UHFFFAOYSA-N 1 2 282.775 1.157 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCc2nccs2)CC1 ZINC000957698939 613561854 /nfs/dbraw/zinc/56/18/54/613561854.db2.gz LNZLCVMDHQMSDF-UHFFFAOYSA-N 1 2 277.393 1.243 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H](C)c2ccco2)CC1 ZINC000957354787 613562634 /nfs/dbraw/zinc/56/26/34/613562634.db2.gz ZERSEKFEJPJJRW-CQSZACIVSA-N 1 2 274.364 1.941 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC(C)(C)C)C2)C1 ZINC000972260530 613570185 /nfs/dbraw/zinc/57/01/85/613570185.db2.gz BCGJCRZXXXNQRV-KRWDZBQOSA-N 1 2 292.423 1.749 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC(C)(C)C)C2)C1 ZINC000972260530 613570187 /nfs/dbraw/zinc/57/01/87/613570187.db2.gz BCGJCRZXXXNQRV-KRWDZBQOSA-N 1 2 292.423 1.749 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ncccc2O)C1 ZINC000965940492 613574115 /nfs/dbraw/zinc/57/41/15/613574115.db2.gz HPWLJBBJTOUNOO-OLZOCXBDSA-N 1 2 287.363 1.251 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ncccc2O)C1 ZINC000965940492 613574117 /nfs/dbraw/zinc/57/41/17/613574117.db2.gz HPWLJBBJTOUNOO-OLZOCXBDSA-N 1 2 287.363 1.251 20 30 CDEDLO O=C(NCC#C[C@@H]1CCCCO1)[C@H]1CCc2c[nH+]cn2C1 ZINC000891115514 617365536 /nfs/dbraw/zinc/36/55/36/617365536.db2.gz FQPIMWKPOHGSBQ-ZFWWWQNUSA-N 1 2 287.363 1.134 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCO[C@H](CC)C2)C1 ZINC000957101238 613654383 /nfs/dbraw/zinc/65/43/83/613654383.db2.gz MVZYYLATAOMFCT-UKRRQHHQSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CC[C@H](F)C2)C1 ZINC000951387710 613655453 /nfs/dbraw/zinc/65/54/53/613655453.db2.gz WEPOAKFMZRGURY-RYUDHWBXSA-N 1 2 254.349 1.843 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2c[nH]c(=O)cc2OC)C1 ZINC000951776430 613658770 /nfs/dbraw/zinc/65/87/70/613658770.db2.gz GLUMGNNLBPKKGV-UHFFFAOYSA-N 1 2 291.351 1.128 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2(C(F)F)CCC2)CC1 ZINC000949827629 613707090 /nfs/dbraw/zinc/70/70/90/613707090.db2.gz IYWUHIZJYADQQH-UHFFFAOYSA-N 1 2 258.312 1.752 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2CCCOC2)CC1 ZINC000957682782 613708876 /nfs/dbraw/zinc/70/88/76/613708876.db2.gz ARLJMYGYBHFDKD-CYBMUJFWSA-N 1 2 252.358 1.133 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2c(C)nn(CC)c2C)CC1 ZINC000957359201 613709558 /nfs/dbraw/zinc/70/95/58/613709558.db2.gz VUXDKAGNMMCUSI-UHFFFAOYSA-N 1 2 290.411 1.393 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cn2nc(C)c(Cl)c2C)CC1 ZINC000957680950 613709748 /nfs/dbraw/zinc/70/97/48/613709748.db2.gz UXTIFQCONFPYBS-UHFFFAOYSA-N 1 2 296.802 1.484 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2cnn3ccccc23)CC1 ZINC000948819004 613710037 /nfs/dbraw/zinc/71/00/37/613710037.db2.gz QXUWFJOAOADVNZ-UHFFFAOYSA-N 1 2 284.363 1.207 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)C(F)(F)F)CC1 ZINC000949667510 613712295 /nfs/dbraw/zinc/71/22/95/613712295.db2.gz ZFADKPURXUMVJL-VIFPVBQESA-N 1 2 250.264 1.515 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCC[C@H]2C(F)F)CC1 ZINC000948746410 613712965 /nfs/dbraw/zinc/71/29/65/613712965.db2.gz YTLYWIWVDWIOKD-NEPJUHHUSA-N 1 2 272.339 1.998 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc(OC)c2F)CC1 ZINC000952376921 613716823 /nfs/dbraw/zinc/71/68/23/613716823.db2.gz CAMVJRJGLFFMFL-UHFFFAOYSA-N 1 2 278.327 1.778 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc3n[nH]c(C)c3c2)CC1 ZINC000957659116 613717851 /nfs/dbraw/zinc/71/78/51/613717851.db2.gz BWJYDEGMAGVOLB-UHFFFAOYSA-N 1 2 285.351 1.210 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2nc(C)n3ccccc23)CC1 ZINC000949283744 613718521 /nfs/dbraw/zinc/71/85/21/613718521.db2.gz HDNSDODFMXBELQ-UHFFFAOYSA-N 1 2 284.363 1.587 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)C1 ZINC000972590335 613723244 /nfs/dbraw/zinc/72/32/44/613723244.db2.gz PXBPDYNDAOCPEU-UXLLHSPISA-N 1 2 290.407 1.522 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)C1 ZINC000972590335 613723249 /nfs/dbraw/zinc/72/32/49/613723249.db2.gz PXBPDYNDAOCPEU-UXLLHSPISA-N 1 2 290.407 1.522 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)SC)C2)C1 ZINC000972269122 613723646 /nfs/dbraw/zinc/72/36/46/613723646.db2.gz IUEDYCUVWZXKCG-OCCSQVGLSA-N 1 2 284.425 1.227 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)SC)C2)C1 ZINC000972269122 613723647 /nfs/dbraw/zinc/72/36/47/613723647.db2.gz IUEDYCUVWZXKCG-OCCSQVGLSA-N 1 2 284.425 1.227 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H]3C)C2)C1 ZINC000972506272 613726541 /nfs/dbraw/zinc/72/65/41/613726541.db2.gz JEWVZGHGUJQGSO-KCQAQPDRSA-N 1 2 264.369 1.132 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H]3C)C2)C1 ZINC000972506272 613726542 /nfs/dbraw/zinc/72/65/42/613726542.db2.gz JEWVZGHGUJQGSO-KCQAQPDRSA-N 1 2 264.369 1.132 20 30 CDEDLO C=CC[N@H+](CN1C[C@H](C)[C@@H](C)C1=O)[C@@H](C)COC ZINC000853535176 617415138 /nfs/dbraw/zinc/41/51/38/617415138.db2.gz QGYREWVILPYXTQ-RWMBFGLXSA-N 1 2 254.374 1.581 20 30 CDEDLO C=CC[N@@H+](CN1C[C@H](C)[C@@H](C)C1=O)[C@@H](C)COC ZINC000853535176 617415142 /nfs/dbraw/zinc/41/51/42/617415142.db2.gz QGYREWVILPYXTQ-RWMBFGLXSA-N 1 2 254.374 1.581 20 30 CDEDLO CCNC(=O)C[N@H+](CC)Cc1csc(C#N)c1 ZINC000891503839 617448890 /nfs/dbraw/zinc/44/88/90/617448890.db2.gz LYCXTKOKSFHZRR-UHFFFAOYSA-N 1 2 251.355 1.578 20 30 CDEDLO CCNC(=O)C[N@@H+](CC)Cc1csc(C#N)c1 ZINC000891503839 617448893 /nfs/dbraw/zinc/44/88/93/617448893.db2.gz LYCXTKOKSFHZRR-UHFFFAOYSA-N 1 2 251.355 1.578 20 30 CDEDLO Cc1nn(C)c(NC(=O)CCCn2cc[nH+]c2)c1C#N ZINC000892621435 617539701 /nfs/dbraw/zinc/53/97/01/617539701.db2.gz BWOUWUVFUIGYGS-UHFFFAOYSA-N 1 2 272.312 1.216 20 30 CDEDLO CN(CC#N)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000971787409 616041629 /nfs/dbraw/zinc/04/16/29/616041629.db2.gz LHAQAXWOCALLKJ-LBPRGKRZSA-N 1 2 283.335 1.233 20 30 CDEDLO C=CC(C)(C)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000892758954 617711605 /nfs/dbraw/zinc/71/16/05/617711605.db2.gz RSQYOKJREUBRSK-UHFFFAOYSA-N 1 2 269.389 1.361 20 30 CDEDLO C=CC(C)(C)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000892758954 617711610 /nfs/dbraw/zinc/71/16/10/617711610.db2.gz RSQYOKJREUBRSK-UHFFFAOYSA-N 1 2 269.389 1.361 20 30 CDEDLO C=CCN1CC[C@H](N(C)c2cc(CC)[nH+]c(CC)n2)C1=O ZINC000893668506 617818076 /nfs/dbraw/zinc/81/80/76/617818076.db2.gz MCCIRAUVDQUDMT-ZDUSSCGKSA-N 1 2 288.395 1.825 20 30 CDEDLO C#CCCCCNc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000892898416 617878189 /nfs/dbraw/zinc/87/81/89/617878189.db2.gz FBSOGNLGPSZIOW-LBPRGKRZSA-N 1 2 262.357 1.875 20 30 CDEDLO C#CCCCCNc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000892898416 617878194 /nfs/dbraw/zinc/87/81/94/617878194.db2.gz FBSOGNLGPSZIOW-LBPRGKRZSA-N 1 2 262.357 1.875 20 30 CDEDLO C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000157024308 617952749 /nfs/dbraw/zinc/95/27/49/617952749.db2.gz XPMYSHYPFPMJKH-SNVBAGLBSA-N 1 2 290.367 1.475 20 30 CDEDLO COC(=O)[C@@H]1[C@@H](C[N@H+](C[C@H](C)C#N)C2CC2)C1(F)F ZINC000894084707 618348641 /nfs/dbraw/zinc/34/86/41/618348641.db2.gz NFARSCZXQAREQQ-IEBDPFPHSA-N 1 2 272.295 1.665 20 30 CDEDLO COC(=O)[C@@H]1[C@@H](C[N@@H+](C[C@H](C)C#N)C2CC2)C1(F)F ZINC000894084707 618348647 /nfs/dbraw/zinc/34/86/47/618348647.db2.gz NFARSCZXQAREQQ-IEBDPFPHSA-N 1 2 272.295 1.665 20 30 CDEDLO CC[C@H](CO)Nc1cc(N2CCC[C@H](CC#N)C2)nc[nH+]1 ZINC000894487147 618914476 /nfs/dbraw/zinc/91/44/76/618914476.db2.gz PCECFZQAHMHDEY-CHWSQXEVSA-N 1 2 289.383 1.789 20 30 CDEDLO CC[C@H](CO)Nc1cc(N2CCC[C@H](CC#N)C2)[nH+]cn1 ZINC000894487147 618914481 /nfs/dbraw/zinc/91/44/81/618914481.db2.gz PCECFZQAHMHDEY-CHWSQXEVSA-N 1 2 289.383 1.789 20 30 CDEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@H](SC)C1)C(=O)OC ZINC000894859915 619105497 /nfs/dbraw/zinc/10/54/97/619105497.db2.gz YPEQHPWVEYWLKJ-WOPDTQHZSA-N 1 2 255.383 1.815 20 30 CDEDLO F[C@@H]1CCC[N@@H+](CC#CCN2CCC[C@H](F)C2)C1 ZINC000902993269 625740304 /nfs/dbraw/zinc/74/03/04/625740304.db2.gz RPDQVAUBNQCODN-OKILXGFUSA-N 1 2 256.340 1.858 20 30 CDEDLO F[C@@H]1CCC[N@H+](CC#CCN2CCC[C@H](F)C2)C1 ZINC000902993269 625740318 /nfs/dbraw/zinc/74/03/18/625740318.db2.gz RPDQVAUBNQCODN-OKILXGFUSA-N 1 2 256.340 1.858 20 30 CDEDLO C#CCC[NH+]1CCC(NC(=O)c2cncc3nc[nH]c32)CC1 ZINC000896519977 620126924 /nfs/dbraw/zinc/12/69/24/620126924.db2.gz BDWSMPOKHMQBNE-UHFFFAOYSA-N 1 2 297.362 1.175 20 30 CDEDLO C#CCSCC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000897582975 621007654 /nfs/dbraw/zinc/00/76/54/621007654.db2.gz FVBFQRLZENQDRU-GFCCVEGCSA-N 1 2 277.393 1.493 20 30 CDEDLO C#C[C@@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C(C)(C)C ZINC000897774382 621103396 /nfs/dbraw/zinc/10/33/96/621103396.db2.gz FCMLQLZEUNZQLF-ZIAGYGMSSA-N 1 2 288.395 1.954 20 30 CDEDLO C#C[C@@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C(C)(C)C ZINC000897774382 621103404 /nfs/dbraw/zinc/10/34/04/621103404.db2.gz FCMLQLZEUNZQLF-ZIAGYGMSSA-N 1 2 288.395 1.954 20 30 CDEDLO N#CCCN(Cc1cccnc1)C(=O)CNc1cccc[nH+]1 ZINC000900402771 623005909 /nfs/dbraw/zinc/00/59/09/623005909.db2.gz RJBBHFXOHFLKAJ-UHFFFAOYSA-N 1 2 295.346 1.831 20 30 CDEDLO C=CC[N@H+](CCc1ccco1)CN1CCOC1=O ZINC000902218767 624570096 /nfs/dbraw/zinc/57/00/96/624570096.db2.gz RAULQXRMWBEYQG-UHFFFAOYSA-N 1 2 250.298 1.720 20 30 CDEDLO C=CC[N@@H+](CCc1ccco1)CN1CCOC1=O ZINC000902218767 624570101 /nfs/dbraw/zinc/57/01/01/624570101.db2.gz RAULQXRMWBEYQG-UHFFFAOYSA-N 1 2 250.298 1.720 20 30 CDEDLO F[C@@H]1CCCN(CC#CC[N@@H+]2CCC[C@H](F)C2)C1 ZINC000902993269 625740277 /nfs/dbraw/zinc/74/02/77/625740277.db2.gz RPDQVAUBNQCODN-OKILXGFUSA-N 1 2 256.340 1.858 20 30 CDEDLO F[C@@H]1CCCN(CC#CC[N@H+]2CCC[C@H](F)C2)C1 ZINC000902993269 625740289 /nfs/dbraw/zinc/74/02/89/625740289.db2.gz RPDQVAUBNQCODN-OKILXGFUSA-N 1 2 256.340 1.858 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000906944606 627464779 /nfs/dbraw/zinc/46/47/79/627464779.db2.gz CHLHXSRRZIZCSK-AAEUAGOBSA-N 1 2 263.341 1.624 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000911570118 629331510 /nfs/dbraw/zinc/33/15/10/629331510.db2.gz DLHVCJOIMXSRBC-XBFCOCLRSA-N 1 2 275.352 1.295 20 30 CDEDLO N#Cc1cc(N(CC[NH+]2CCOCC2)CC2CC2)ccn1 ZINC000912276503 629907827 /nfs/dbraw/zinc/90/78/27/629907827.db2.gz XXZCVVIHYBPDAQ-UHFFFAOYSA-N 1 2 286.379 1.502 20 30 CDEDLO COc1ccc(OC)c([C@@H](O)C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000920088755 632719976 /nfs/dbraw/zinc/71/99/76/632719976.db2.gz KBOVYAIKQPHUFL-FZMZJTMJSA-N 1 2 278.352 1.829 20 30 CDEDLO COc1ccc(OC)c([C@@H](O)C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000920088755 632719980 /nfs/dbraw/zinc/71/99/80/632719980.db2.gz KBOVYAIKQPHUFL-FZMZJTMJSA-N 1 2 278.352 1.829 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccncc1 ZINC001754299943 1159079872 /nfs/dbraw/zinc/07/98/72/1159079872.db2.gz ZRILCJAZTZCEEW-NSHDSACASA-N 1 2 267.760 1.884 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccncc1 ZINC001754299943 1159079874 /nfs/dbraw/zinc/07/98/74/1159079874.db2.gz ZRILCJAZTZCEEW-NSHDSACASA-N 1 2 267.760 1.884 20 30 CDEDLO N#Cc1c(=O)n(C[NH+]2CCCC2)cc2c1CCCC2 ZINC000793469130 1162422761 /nfs/dbraw/zinc/42/27/61/1162422761.db2.gz OMOCNOYAHKASTE-UHFFFAOYSA-N 1 2 257.337 1.652 20 30 CDEDLO C#CCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001114160478 1162438717 /nfs/dbraw/zinc/43/87/17/1162438717.db2.gz YWRKXXKFJWZUCN-FOLVSLTJSA-N 1 2 287.363 1.415 20 30 CDEDLO C#CCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001114160478 1162438718 /nfs/dbraw/zinc/43/87/18/1162438718.db2.gz YWRKXXKFJWZUCN-FOLVSLTJSA-N 1 2 287.363 1.415 20 30 CDEDLO C[C@H]1CC[C@@H](NC(=O)CSCC#N)C[N@@H+]1CCF ZINC001131831132 1163074400 /nfs/dbraw/zinc/07/44/00/1163074400.db2.gz YMZIQPIAPUINSX-WDEREUQCSA-N 1 2 273.377 1.182 20 30 CDEDLO C[C@H]1CC[C@@H](NC(=O)CSCC#N)C[N@H+]1CCF ZINC001131831132 1163074406 /nfs/dbraw/zinc/07/44/06/1163074406.db2.gz YMZIQPIAPUINSX-WDEREUQCSA-N 1 2 273.377 1.182 20 30 CDEDLO N#CCCN1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137837919 1161522781 /nfs/dbraw/zinc/52/27/81/1161522781.db2.gz ZFXCGVZNTOWQCR-UHFFFAOYSA-N 1 2 263.316 1.563 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCOCC(F)(F)F)CC1 ZINC001113060092 1162089425 /nfs/dbraw/zinc/08/94/25/1162089425.db2.gz QFXQVZDFDNJBOJ-UHFFFAOYSA-N 1 2 280.290 1.286 20 30 CDEDLO Cc1nc(NCC(C)(C)CN(C)C(=O)[C@H](C)C#N)cc[nH+]1 ZINC001113410435 1162172969 /nfs/dbraw/zinc/17/29/69/1162172969.db2.gz CUWYYKSCPGUQQY-LLVKDONJSA-N 1 2 289.383 1.841 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](C)OCCOCC)CC1 ZINC001113673335 1162253593 /nfs/dbraw/zinc/25/35/93/1162253593.db2.gz MWTUSZKCVVEXPF-CQSZACIVSA-N 1 2 284.400 1.148 20 30 CDEDLO C=CCCC1(C(=O)NCC[NH2+]Cc2nc(CC)no2)CC1 ZINC001133374023 1163660743 /nfs/dbraw/zinc/66/07/43/1163660743.db2.gz NCSAPLPPGWDPSG-UHFFFAOYSA-N 1 2 292.383 1.584 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CCNc1c(C#N)cccc1C#N ZINC001647345632 1168595283 /nfs/dbraw/zinc/59/52/83/1168595283.db2.gz SLIPCQAYJHBXIV-OAHLLOKOSA-N 1 2 284.363 1.953 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CCNc1c(C#N)cccc1C#N ZINC001647345632 1168595292 /nfs/dbraw/zinc/59/52/92/1168595292.db2.gz SLIPCQAYJHBXIV-OAHLLOKOSA-N 1 2 284.363 1.953 20 30 CDEDLO C[C@H](C#N)CN(C)c1nnc(C[NH+]2CCCCC2)n1C ZINC001647685425 1169017735 /nfs/dbraw/zinc/01/77/35/1169017735.db2.gz NGLDDRVMXBJENQ-GFCCVEGCSA-N 1 2 276.388 1.397 20 30 CDEDLO C=C(C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cn[nH]n2)C1 ZINC001575048305 1171094996 /nfs/dbraw/zinc/09/49/96/1171094996.db2.gz BWDCLSFPKVTHFR-STQMWFEESA-N 1 2 291.399 1.678 20 30 CDEDLO C=CCC[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001588609586 1173089127 /nfs/dbraw/zinc/08/91/27/1173089127.db2.gz QZNDDLUDLUHISD-SECBINFHSA-N 1 2 259.313 1.799 20 30 CDEDLO C[N@H+](Cc1cc(-c2nn[nH]n2)ccn1)[C@H]1CCC[C@H]1C#N ZINC001591125810 1173575835 /nfs/dbraw/zinc/57/58/35/1173575835.db2.gz WECUTESMAXVZRM-AAEUAGOBSA-N 1 2 283.339 1.386 20 30 CDEDLO C[N@@H+](Cc1cc(-c2nn[nH]n2)ccn1)[C@H]1CCC[C@H]1C#N ZINC001591125810 1173575841 /nfs/dbraw/zinc/57/58/41/1173575841.db2.gz WECUTESMAXVZRM-AAEUAGOBSA-N 1 2 283.339 1.386 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC001602983983 1175471098 /nfs/dbraw/zinc/47/10/98/1175471098.db2.gz QBYWYDDMMRPYPX-NSHDSACASA-N 1 2 286.339 1.337 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC001602983983 1175471101 /nfs/dbraw/zinc/47/11/01/1175471101.db2.gz QBYWYDDMMRPYPX-NSHDSACASA-N 1 2 286.339 1.337 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)NCc2ccc(OC)cc2)CC1 ZINC000243089053 1180517555 /nfs/dbraw/zinc/51/75/55/1180517555.db2.gz IVGHSYRNCULIDV-UHFFFAOYSA-N 1 2 289.379 1.708 20 30 CDEDLO C#CC[NH+]1CCN(CCN(C)C(=O)/C=C/C(C)(C)C)CC1 ZINC001753343962 1183984599 /nfs/dbraw/zinc/98/45/99/1183984599.db2.gz MPRXACSZNJEYMK-BQYQJAHWSA-N 1 2 291.439 1.298 20 30 CDEDLO C=CCCC(=O)NCC1C[NH+](CC(=O)N[C@@H](C)C(C)C)C1 ZINC001753397835 1184528285 /nfs/dbraw/zinc/52/82/85/1184528285.db2.gz VPSOJDKJTVMDDL-ZDUSSCGKSA-N 1 2 295.427 1.161 20 30 CDEDLO C=CCCC(=O)NC[C@@H](C)[NH2+]Cc1nncs1 ZINC001752864071 1184939630 /nfs/dbraw/zinc/93/96/30/1184939630.db2.gz LESNYLWTUMOVTI-SECBINFHSA-N 1 2 254.359 1.099 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)CCc2cncc(C)c2)C1 ZINC001753383039 1185178992 /nfs/dbraw/zinc/17/89/92/1185178992.db2.gz OYQPWNOLOCRDSA-UHFFFAOYSA-N 1 2 271.364 1.146 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@H](C)C[NH2+][C@@H](C)c1nc(CC)no1 ZINC001754238326 1185524465 /nfs/dbraw/zinc/52/44/65/1185524465.db2.gz NDXQSCHAXSJTQS-MNOVXSKESA-N 1 2 294.399 2.000 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(CC)C1CC1 ZINC001754474555 1185632181 /nfs/dbraw/zinc/63/21/81/1185632181.db2.gz AVOBQAHLPRNFJJ-AWEZNQCLSA-N 1 2 293.411 1.154 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(CC)C1CC1 ZINC001754474555 1185632184 /nfs/dbraw/zinc/63/21/84/1185632184.db2.gz AVOBQAHLPRNFJJ-AWEZNQCLSA-N 1 2 293.411 1.154 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@H]2CCOC[C@H]2C)C1 ZINC001754581294 1185673144 /nfs/dbraw/zinc/67/31/44/1185673144.db2.gz XZUOMQMHXYHVBX-HIFRSBDPSA-N 1 2 296.411 1.004 20 30 CDEDLO C=CCC1(C(=O)N(C)C2C[NH+](CCCO)C2)CCCC1 ZINC001754590103 1185676454 /nfs/dbraw/zinc/67/64/54/1185676454.db2.gz LFSTZZLHGLNSOG-UHFFFAOYSA-N 1 2 280.412 1.648 20 30 CDEDLO C[C@]1(CNCC#N)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001754698626 1185710432 /nfs/dbraw/zinc/71/04/32/1185710432.db2.gz QENKKMIUVVUMOQ-MRXNPFEDSA-N 1 2 297.362 1.528 20 30 CDEDLO Cc1noc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C#CC(C)C)C2)n1 ZINC001755678905 1186035054 /nfs/dbraw/zinc/03/50/54/1186035054.db2.gz QAJGJOSGCAPMJS-WCQYABFASA-N 1 2 290.367 1.116 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)CNC(=O)CC)CC1 ZINC001755882568 1186100589 /nfs/dbraw/zinc/10/05/89/1186100589.db2.gz LJNWEKBFPOCVLG-UHFFFAOYSA-N 1 2 299.802 1.013 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)CNC(=O)CC)CC1 ZINC001755882568 1186100595 /nfs/dbraw/zinc/10/05/95/1186100595.db2.gz LJNWEKBFPOCVLG-UHFFFAOYSA-N 1 2 299.802 1.013 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2cc(F)cc(C#N)c2)C1 ZINC000311014981 1186680133 /nfs/dbraw/zinc/68/01/33/1186680133.db2.gz BASABLCUDCHHEY-ZDUSSCGKSA-N 1 2 250.273 1.407 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2cc(F)cc(C#N)c2)C1 ZINC000311014981 1186680138 /nfs/dbraw/zinc/68/01/38/1186680138.db2.gz BASABLCUDCHHEY-ZDUSSCGKSA-N 1 2 250.273 1.407 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCO2)C1 ZINC001033736120 726052622 /nfs/dbraw/zinc/05/26/22/726052622.db2.gz YMKMDKZDHZEPOW-OLZOCXBDSA-N 1 2 286.803 1.841 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCC)C[C@@H]21 ZINC001074143799 726125167 /nfs/dbraw/zinc/12/51/67/726125167.db2.gz DYOMJBDKYDBBON-UONOGXRCSA-N 1 2 264.369 1.112 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCC)C[C@@H]21 ZINC001074143799 726125168 /nfs/dbraw/zinc/12/51/68/726125168.db2.gz DYOMJBDKYDBBON-UONOGXRCSA-N 1 2 264.369 1.112 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(C)c2)C1 ZINC001032895019 726818000 /nfs/dbraw/zinc/81/80/00/726818000.db2.gz GLBONKZXLNHBNT-LBPRGKRZSA-N 1 2 282.775 1.319 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccn(C)n2)C1 ZINC001046840651 726884019 /nfs/dbraw/zinc/88/40/19/726884019.db2.gz ZSGNEIILRMEMCC-ZDUSSCGKSA-N 1 2 282.775 1.367 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccn(C)n2)C1 ZINC001046840651 726884020 /nfs/dbraw/zinc/88/40/20/726884020.db2.gz ZSGNEIILRMEMCC-ZDUSSCGKSA-N 1 2 282.775 1.367 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)OC)[C@@H]2C1 ZINC001075591322 726939885 /nfs/dbraw/zinc/93/98/85/726939885.db2.gz YMUQUFFZSUZCSM-GRYCIOLGSA-N 1 2 272.776 1.307 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)OC)[C@@H]2C1 ZINC001075591322 726939886 /nfs/dbraw/zinc/93/98/86/726939886.db2.gz YMUQUFFZSUZCSM-GRYCIOLGSA-N 1 2 272.776 1.307 20 30 CDEDLO C[C@H](C#N)OCC[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000801926029 726014248 /nfs/dbraw/zinc/01/42/48/726014248.db2.gz UJXJSHXCHNPCNP-UKRRQHHQSA-N 1 2 260.337 1.989 20 30 CDEDLO C[C@H](C#N)OCC[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000801926029 726014249 /nfs/dbraw/zinc/01/42/49/726014249.db2.gz UJXJSHXCHNPCNP-UKRRQHHQSA-N 1 2 260.337 1.989 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](C(=O)OCC)C2)nn1 ZINC000932641455 726016241 /nfs/dbraw/zinc/01/62/41/726016241.db2.gz JMVYHDXWBJQHCL-GFCCVEGCSA-N 1 2 278.356 1.239 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](C(=O)OCC)C2)nn1 ZINC000932641455 726016242 /nfs/dbraw/zinc/01/62/42/726016242.db2.gz JMVYHDXWBJQHCL-GFCCVEGCSA-N 1 2 278.356 1.239 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCCC[C@H]1CC=C ZINC000884395448 726016767 /nfs/dbraw/zinc/01/67/67/726016767.db2.gz BWWKRFCTWJXXSE-RDBSUJKOSA-N 1 2 294.395 1.684 20 30 CDEDLO C[C@H](CO)N(C)[NH+]=Cc1cc(F)c(N(C)C)cc1F ZINC000863122548 726017825 /nfs/dbraw/zinc/01/78/25/726017825.db2.gz IMRRSECHFFSRBL-SECBINFHSA-N 1 2 271.311 1.677 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(Cl)c1 ZINC001032748423 726019121 /nfs/dbraw/zinc/01/91/21/726019121.db2.gz NXERUFQTKOWQGK-KBPBESRZSA-N 1 2 274.751 1.872 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(Cl)c1 ZINC001032748423 726019122 /nfs/dbraw/zinc/01/91/22/726019122.db2.gz NXERUFQTKOWQGK-KBPBESRZSA-N 1 2 274.751 1.872 20 30 CDEDLO CC(=NN(C)[C@@H](C)CO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000842544807 726023828 /nfs/dbraw/zinc/02/38/28/726023828.db2.gz KLQMODNRQRGHCG-LBPRGKRZSA-N 1 2 272.352 1.909 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccc(OC)c(C)c2)C1 ZINC001044057178 726028818 /nfs/dbraw/zinc/02/88/18/726028818.db2.gz MDTHCMKQEZSUNG-UHFFFAOYSA-N 1 2 274.364 1.946 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2nccc(C)n2)C1 ZINC001042670239 726047572 /nfs/dbraw/zinc/04/75/72/726047572.db2.gz WGODIBUJEABQKR-UHFFFAOYSA-N 1 2 260.341 1.117 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCO2)C1 ZINC001033736120 726052619 /nfs/dbraw/zinc/05/26/19/726052619.db2.gz YMKMDKZDHZEPOW-OLZOCXBDSA-N 1 2 286.803 1.841 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2cnn(CC)c2)C1 ZINC001044168940 726052976 /nfs/dbraw/zinc/05/29/76/726052976.db2.gz NWDOMHDLAADSOA-UHFFFAOYSA-N 1 2 276.384 1.164 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(NC(C)=O)c2)C1 ZINC001031380059 726109567 /nfs/dbraw/zinc/10/95/67/726109567.db2.gz BWUZLYZZNVKMSX-UHFFFAOYSA-N 1 2 285.347 1.082 20 30 CDEDLO C=CC[N@H+](C[C@@H]1CC[C@@H](C2CC2)O1)[C@H]1CCS(=O)(=O)C1 ZINC000886064765 726115418 /nfs/dbraw/zinc/11/54/18/726115418.db2.gz IBWDNGSIROBJIZ-KKUMJFAQSA-N 1 2 299.436 1.619 20 30 CDEDLO C=CC[N@@H+](C[C@@H]1CC[C@@H](C2CC2)O1)[C@H]1CCS(=O)(=O)C1 ZINC000886064765 726115420 /nfs/dbraw/zinc/11/54/20/726115420.db2.gz IBWDNGSIROBJIZ-KKUMJFAQSA-N 1 2 299.436 1.619 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000845651815 726118172 /nfs/dbraw/zinc/11/81/72/726118172.db2.gz ITCIYOFCYCZXBY-SNVBAGLBSA-N 1 2 273.327 1.724 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000845651815 726118175 /nfs/dbraw/zinc/11/81/75/726118175.db2.gz ITCIYOFCYCZXBY-SNVBAGLBSA-N 1 2 273.327 1.724 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)SC ZINC001032293450 726119599 /nfs/dbraw/zinc/11/95/99/726119599.db2.gz WEMIJWNTMGJSCO-WOPDTQHZSA-N 1 2 252.383 1.046 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)SC ZINC001032293450 726119600 /nfs/dbraw/zinc/11/96/00/726119600.db2.gz WEMIJWNTMGJSCO-WOPDTQHZSA-N 1 2 252.383 1.046 20 30 CDEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000877482187 726125772 /nfs/dbraw/zinc/12/57/72/726125772.db2.gz ATGNPTIVMDQOQB-CABCVRRESA-N 1 2 276.384 1.998 20 30 CDEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000877482187 726125776 /nfs/dbraw/zinc/12/57/76/726125776.db2.gz ATGNPTIVMDQOQB-CABCVRRESA-N 1 2 276.384 1.998 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC1CCOCC1 ZINC001018029800 726128156 /nfs/dbraw/zinc/12/81/56/726128156.db2.gz RPJHRVYNZDLEAR-IYBDPMFKSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC1CCOCC1 ZINC001018029800 726128157 /nfs/dbraw/zinc/12/81/57/726128157.db2.gz RPJHRVYNZDLEAR-IYBDPMFKSA-N 1 2 290.407 1.502 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C)sn1 ZINC001050890196 726131449 /nfs/dbraw/zinc/13/14/49/726131449.db2.gz CXZYZJXHLLCNOP-GFCCVEGCSA-N 1 2 295.408 1.458 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C)sn1 ZINC001050890196 726131453 /nfs/dbraw/zinc/13/14/53/726131453.db2.gz CXZYZJXHLLCNOP-GFCCVEGCSA-N 1 2 295.408 1.458 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc[nH]c1 ZINC001027896986 726151648 /nfs/dbraw/zinc/15/16/48/726151648.db2.gz CIXGXZYLIVHXIC-LBPRGKRZSA-N 1 2 267.760 1.961 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc[nH]c1 ZINC001027896986 726151651 /nfs/dbraw/zinc/15/16/51/726151651.db2.gz CIXGXZYLIVHXIC-LBPRGKRZSA-N 1 2 267.760 1.961 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2ccncc2n1 ZINC001032522645 726153547 /nfs/dbraw/zinc/15/35/47/726153547.db2.gz CABYUYSDDNESID-KBPBESRZSA-N 1 2 292.342 1.162 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2ccncc2n1 ZINC001032522645 726153550 /nfs/dbraw/zinc/15/35/50/726153550.db2.gz CABYUYSDDNESID-KBPBESRZSA-N 1 2 292.342 1.162 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2sccc2OC)C1 ZINC001031289790 726166289 /nfs/dbraw/zinc/16/62/89/726166289.db2.gz PGZVTYPQEHDYMU-UHFFFAOYSA-N 1 2 266.366 1.747 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2scnc2C(F)F)C1 ZINC001015230901 726232120 /nfs/dbraw/zinc/23/21/20/726232120.db2.gz ANIIEGCORAQAOG-VIFPVBQESA-N 1 2 299.346 1.908 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2scnc2C(F)F)C1 ZINC001015230901 726232123 /nfs/dbraw/zinc/23/21/23/726232123.db2.gz ANIIEGCORAQAOG-VIFPVBQESA-N 1 2 299.346 1.908 20 30 CDEDLO C#CCC1(NC(=O)N[C@H](C)Cn2cc[nH+]c2)CCOCC1 ZINC000887345956 726243931 /nfs/dbraw/zinc/24/39/31/726243931.db2.gz KOCSKYQCOXCENR-CYBMUJFWSA-N 1 2 290.367 1.143 20 30 CDEDLO C#Cc1cccnc1N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000853289388 726246704 /nfs/dbraw/zinc/24/67/04/726246704.db2.gz JSOZJEUTKHAHJJ-UHFFFAOYSA-N 1 2 281.363 1.119 20 30 CDEDLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)CC(C)(C)C#N ZINC000842968731 726251753 /nfs/dbraw/zinc/25/17/53/726251753.db2.gz WAWSGDGKPNFMDU-OLZOCXBDSA-N 1 2 298.383 1.205 20 30 CDEDLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)CC(C)(C)C#N ZINC000842968731 726251756 /nfs/dbraw/zinc/25/17/56/726251756.db2.gz WAWSGDGKPNFMDU-OLZOCXBDSA-N 1 2 298.383 1.205 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnn(C)c2C)C1 ZINC001046147229 726268751 /nfs/dbraw/zinc/26/87/51/726268751.db2.gz MKMFJWGPTHBMGX-AWEZNQCLSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnn(C)c2C)C1 ZINC001046147229 726268754 /nfs/dbraw/zinc/26/87/54/726268754.db2.gz MKMFJWGPTHBMGX-AWEZNQCLSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(C)C[C@H](CO)NC(=O)NCCCCn1cc[nH+]c1 ZINC000883175060 726300322 /nfs/dbraw/zinc/30/03/22/726300322.db2.gz YHULWOUJNVEIND-CYBMUJFWSA-N 1 2 280.372 1.290 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@]2(C)C(C)C)C1 ZINC001044125114 726354478 /nfs/dbraw/zinc/35/44/78/726354478.db2.gz VVHAFZMSFAZNCD-DZGCQCFKSA-N 1 2 250.386 1.997 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C)no3)[C@@H]2C1 ZINC001075540218 726378885 /nfs/dbraw/zinc/37/88/85/726378885.db2.gz DCDXLGMRKYIMQL-NWDGAFQWSA-N 1 2 295.770 1.882 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C)no3)[C@@H]2C1 ZINC001075540218 726378887 /nfs/dbraw/zinc/37/88/87/726378887.db2.gz DCDXLGMRKYIMQL-NWDGAFQWSA-N 1 2 295.770 1.882 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(CC)oc1C ZINC001032676815 726403883 /nfs/dbraw/zinc/40/38/83/726403883.db2.gz GIVMFRGKSTUBJV-STQMWFEESA-N 1 2 287.363 1.467 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(CC)oc1C ZINC001032676815 726403884 /nfs/dbraw/zinc/40/38/84/726403884.db2.gz GIVMFRGKSTUBJV-STQMWFEESA-N 1 2 287.363 1.467 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@]2(C)CCO[C@@H]2C)C1 ZINC001043452541 726405241 /nfs/dbraw/zinc/40/52/41/726405241.db2.gz INBHNYBMACLVEB-IUODEOHRSA-N 1 2 266.385 1.520 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnn(C)c2)C1 ZINC001032895019 726817998 /nfs/dbraw/zinc/81/79/98/726817998.db2.gz GLBONKZXLNHBNT-LBPRGKRZSA-N 1 2 282.775 1.319 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032317573 726820959 /nfs/dbraw/zinc/82/09/59/726820959.db2.gz WFAWNPRGWWRQAZ-RCBQFDQVSA-N 1 2 294.358 1.503 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032317573 726820961 /nfs/dbraw/zinc/82/09/61/726820961.db2.gz WFAWNPRGWWRQAZ-RCBQFDQVSA-N 1 2 294.358 1.503 20 30 CDEDLO N#CCN1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001075949089 726821235 /nfs/dbraw/zinc/82/12/35/726821235.db2.gz YVARZKGOPRQSMT-XHDPSFHLSA-N 1 2 295.346 1.233 20 30 CDEDLO C=CCN(CC=C)C(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000137646810 726840896 /nfs/dbraw/zinc/84/08/96/726840896.db2.gz HQFJNOZTBQMLKY-UHFFFAOYSA-N 1 2 288.351 1.114 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(c2cccnc2)CC1 ZINC001032581204 726844685 /nfs/dbraw/zinc/84/46/85/726844685.db2.gz MIGHQPCMAHGJBM-GJZGRUSLSA-N 1 2 281.359 1.032 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(c2cccnc2)CC1 ZINC001032581204 726844688 /nfs/dbraw/zinc/84/46/88/726844688.db2.gz MIGHQPCMAHGJBM-GJZGRUSLSA-N 1 2 281.359 1.032 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(C)nn2CC)C1 ZINC001030998809 726854337 /nfs/dbraw/zinc/85/43/37/726854337.db2.gz JFNOZXGBFVICNP-UHFFFAOYSA-N 1 2 262.357 1.202 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)C1CCCCC1 ZINC001032824357 726871017 /nfs/dbraw/zinc/87/10/17/726871017.db2.gz RBTBTHSRYUSNOI-HRCADAONSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)C1CCCCC1 ZINC001032824357 726871018 /nfs/dbraw/zinc/87/10/18/726871018.db2.gz RBTBTHSRYUSNOI-HRCADAONSA-N 1 2 290.407 1.500 20 30 CDEDLO C[C@@H]1C[C@@H](NCC#N)CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000989042136 726884859 /nfs/dbraw/zinc/88/48/59/726884859.db2.gz OPNHUBUPOOVUMB-ZYHUDNBSSA-N 1 2 283.335 1.279 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ncoc2C2CC2)C1 ZINC001044142715 726885125 /nfs/dbraw/zinc/88/51/25/726885125.db2.gz QCXXAVRBJAHUSD-UHFFFAOYSA-N 1 2 273.336 1.332 20 30 CDEDLO C#C[C@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000825728329 726890878 /nfs/dbraw/zinc/89/08/78/726890878.db2.gz TYNOBABVQMIDJR-HIFRSBDPSA-N 1 2 282.347 1.945 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H]2CCOC[C@@H]2OC)C1 ZINC001042894333 726894123 /nfs/dbraw/zinc/89/41/23/726894123.db2.gz JLOKLQHSZXYTTO-HIFRSBDPSA-N 1 2 296.411 1.147 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CCOCC2)C1 ZINC001009879438 726898231 /nfs/dbraw/zinc/89/82/31/726898231.db2.gz CRZVHYRMLLCOLT-LBPRGKRZSA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CCOCC2)C1 ZINC001009879438 726898232 /nfs/dbraw/zinc/89/82/32/726898232.db2.gz CRZVHYRMLLCOLT-LBPRGKRZSA-N 1 2 272.776 1.356 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1[nH]c2ccccc2c1OC ZINC001039057774 726898446 /nfs/dbraw/zinc/89/84/46/726898446.db2.gz XHVLQQADEKYMHX-LBPRGKRZSA-N 1 2 297.358 1.614 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1[nH]c2ccccc2c1OC ZINC001039057774 726898448 /nfs/dbraw/zinc/89/84/48/726898448.db2.gz XHVLQQADEKYMHX-LBPRGKRZSA-N 1 2 297.358 1.614 20 30 CDEDLO COc1ccc(CC(N)=[NH+]OCCOC(C)C)cc1OC ZINC000181609211 726898934 /nfs/dbraw/zinc/89/89/34/726898934.db2.gz PFZMBNCDHZEMJG-UHFFFAOYSA-N 1 2 296.367 1.960 20 30 CDEDLO C=CCN1CCN(C[N@H+]2C[C@H](CC)OC[C@@H]2CC)C1=O ZINC000844724057 726899715 /nfs/dbraw/zinc/89/97/15/726899715.db2.gz TXKYYKAGRMHTAV-KBPBESRZSA-N 1 2 281.400 1.757 20 30 CDEDLO C=CCN1CCN(C[N@@H+]2C[C@H](CC)OC[C@@H]2CC)C1=O ZINC000844724057 726899718 /nfs/dbraw/zinc/89/97/18/726899718.db2.gz TXKYYKAGRMHTAV-KBPBESRZSA-N 1 2 281.400 1.757 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc([C@H](C)CC)no2)C1 ZINC001044021282 726910140 /nfs/dbraw/zinc/91/01/40/726910140.db2.gz QZVVXQJEAFRTNL-GFCCVEGCSA-N 1 2 289.379 1.968 20 30 CDEDLO Cc1nc(C[N@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)co1 ZINC001072553419 726920233 /nfs/dbraw/zinc/92/02/33/726920233.db2.gz ZETAVTXXZYNANS-NSHDSACASA-N 1 2 288.351 1.177 20 30 CDEDLO Cc1nc(C[N@@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)co1 ZINC001072553419 726920235 /nfs/dbraw/zinc/92/02/35/726920235.db2.gz ZETAVTXXZYNANS-NSHDSACASA-N 1 2 288.351 1.177 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc2[nH]c(=O)[nH]c21 ZINC000848099263 726934755 /nfs/dbraw/zinc/93/47/55/726934755.db2.gz YJXREDAUYWWOIQ-LBPRGKRZSA-N 1 2 284.319 1.305 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc2[nH]c(=O)[nH]c21 ZINC000848099263 726934758 /nfs/dbraw/zinc/93/47/58/726934758.db2.gz YJXREDAUYWWOIQ-LBPRGKRZSA-N 1 2 284.319 1.305 20 30 CDEDLO C#Cc1cncc(C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000806543018 726961556 /nfs/dbraw/zinc/96/15/56/726961556.db2.gz GQCKBHOVHXDZPL-UHFFFAOYSA-N 1 2 268.320 1.470 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC001027736117 726980143 /nfs/dbraw/zinc/98/01/43/726980143.db2.gz FSJSYNJKRLAVSE-RYUDHWBXSA-N 1 2 272.776 1.499 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC001027736117 726980147 /nfs/dbraw/zinc/98/01/47/726980147.db2.gz FSJSYNJKRLAVSE-RYUDHWBXSA-N 1 2 272.776 1.499 20 30 CDEDLO CC(C)[C@@H](C)NC(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000071939152 726981198 /nfs/dbraw/zinc/98/11/98/726981198.db2.gz KNBDQEPDKBBZIA-GFCCVEGCSA-N 1 2 277.368 1.679 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1OCC ZINC001038977211 726994414 /nfs/dbraw/zinc/99/44/14/726994414.db2.gz VQXCIYQWTFFZRJ-CQSZACIVSA-N 1 2 286.375 1.913 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1OCC ZINC001038977211 726994416 /nfs/dbraw/zinc/99/44/16/726994416.db2.gz VQXCIYQWTFFZRJ-CQSZACIVSA-N 1 2 286.375 1.913 20 30 CDEDLO Cc1ccn(C[N@H+]2CCSC[C@@H](C)C2)c(=O)c1C#N ZINC000792726506 726995093 /nfs/dbraw/zinc/99/50/93/726995093.db2.gz RXHCCFKWQUKTAF-NSHDSACASA-N 1 2 277.393 1.671 20 30 CDEDLO Cc1ccn(C[N@@H+]2CCSC[C@@H](C)C2)c(=O)c1C#N ZINC000792726506 726995099 /nfs/dbraw/zinc/99/50/99/726995099.db2.gz RXHCCFKWQUKTAF-NSHDSACASA-N 1 2 277.393 1.671 20 30 CDEDLO NC(Cc1ccccc1)=[NH+]O[C@H]1CCN(C2CC2)C1=O ZINC000075093875 727012785 /nfs/dbraw/zinc/01/27/85/727012785.db2.gz MIXFDAUCFNUQJR-ZDUSSCGKSA-N 1 2 273.336 1.281 20 30 CDEDLO C=C[C@H](C)ONC(=O)NCCCNc1cccc[nH+]1 ZINC000845637495 727025328 /nfs/dbraw/zinc/02/53/28/727025328.db2.gz ACHKLLXGJRTVGP-NSHDSACASA-N 1 2 264.329 1.689 20 30 CDEDLO N#CC[C@@H](O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000809576720 727030085 /nfs/dbraw/zinc/03/00/85/727030085.db2.gz YSTOPWXNUXGMQY-HZPDHXFCSA-N 1 2 284.363 1.143 20 30 CDEDLO C#CC[C@H]([NH2+]C1CCC(C(=O)OCC)CC1)C(=O)OC ZINC000839167526 727030295 /nfs/dbraw/zinc/03/02/95/727030295.db2.gz FJMRUOAMLQFXCY-BPCQOVAHSA-N 1 2 281.352 1.263 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccsc2C)C1 ZINC001042701091 727039231 /nfs/dbraw/zinc/03/92/31/727039231.db2.gz BJEZHTDVHNFOBW-UHFFFAOYSA-N 1 2 262.378 1.836 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnc2c(c1)COCC2 ZINC000777515261 727040853 /nfs/dbraw/zinc/04/08/53/727040853.db2.gz DOGJMWUSPDUVPY-HNNXBMFYSA-N 1 2 285.347 1.190 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnc2c(c1)COCC2 ZINC000777515261 727040854 /nfs/dbraw/zinc/04/08/54/727040854.db2.gz DOGJMWUSPDUVPY-HNNXBMFYSA-N 1 2 285.347 1.190 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1(C)CCC1)CCO2 ZINC001053376438 727052379 /nfs/dbraw/zinc/05/23/79/727052379.db2.gz DURGCUSRFNKKOV-UHFFFAOYSA-N 1 2 278.396 1.666 20 30 CDEDLO CON1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000846975673 727063234 /nfs/dbraw/zinc/06/32/34/727063234.db2.gz FDLANYJPPWXKCN-UHFFFAOYSA-N 1 2 261.325 1.116 20 30 CDEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2CC)C1 ZINC001047638229 727066477 /nfs/dbraw/zinc/06/64/77/727066477.db2.gz HRJBKIABXPBUMY-STQMWFEESA-N 1 2 292.404 1.061 20 30 CDEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2CC)C1 ZINC001047638229 727066478 /nfs/dbraw/zinc/06/64/78/727066478.db2.gz HRJBKIABXPBUMY-STQMWFEESA-N 1 2 292.404 1.061 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(OCC)C1 ZINC001017525112 727087452 /nfs/dbraw/zinc/08/74/52/727087452.db2.gz BSDRBHSHRXYLHO-HFDVOGEKSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(OCC)C1 ZINC001017525112 727087457 /nfs/dbraw/zinc/08/74/57/727087457.db2.gz BSDRBHSHRXYLHO-HFDVOGEKSA-N 1 2 276.380 1.110 20 30 CDEDLO C=CCN1CCN(C[N@@H+]2CCc3ccccc3C2)C1=O ZINC000839948333 727087947 /nfs/dbraw/zinc/08/79/47/727087947.db2.gz HQQPGPRSZUEFAC-UHFFFAOYSA-N 1 2 271.364 1.926 20 30 CDEDLO C=CCN1CCN(C[N@H+]2CCc3ccccc3C2)C1=O ZINC000839948333 727087952 /nfs/dbraw/zinc/08/79/52/727087952.db2.gz HQQPGPRSZUEFAC-UHFFFAOYSA-N 1 2 271.364 1.926 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001038727092 727088484 /nfs/dbraw/zinc/08/84/84/727088484.db2.gz CZHIPAICJMZYFT-QLFBSQMISA-N 1 2 269.348 1.009 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001038727092 727088489 /nfs/dbraw/zinc/08/84/89/727088489.db2.gz CZHIPAICJMZYFT-QLFBSQMISA-N 1 2 269.348 1.009 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2oc(C)cc2C)C1 ZINC001035322945 727111421 /nfs/dbraw/zinc/11/14/21/727111421.db2.gz IPEZSEVLJQPTHG-ZDUSSCGKSA-N 1 2 278.352 1.513 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2oc(C)cc2C)C1 ZINC001035322945 727111422 /nfs/dbraw/zinc/11/14/22/727111422.db2.gz IPEZSEVLJQPTHG-ZDUSSCGKSA-N 1 2 278.352 1.513 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)C=C)C[C@@H]21 ZINC001074312549 727112097 /nfs/dbraw/zinc/11/20/97/727112097.db2.gz OUPJWYOXQSWVKI-LSDHHAIUSA-N 1 2 290.407 1.524 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)C=C)C[C@@H]21 ZINC001074312549 727112099 /nfs/dbraw/zinc/11/20/99/727112099.db2.gz OUPJWYOXQSWVKI-LSDHHAIUSA-N 1 2 290.407 1.524 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001014798134 727119577 /nfs/dbraw/zinc/11/95/77/727119577.db2.gz QWMFPRNUVXGOLX-AGIUHOORSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001014798134 727119581 /nfs/dbraw/zinc/11/95/81/727119581.db2.gz QWMFPRNUVXGOLX-AGIUHOORSA-N 1 2 286.803 1.745 20 30 CDEDLO CC(C)(C)C#CC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000854730940 727124828 /nfs/dbraw/zinc/12/48/28/727124828.db2.gz UNRDDHYWFYDHMW-AWEZNQCLSA-N 1 2 278.396 1.359 20 30 CDEDLO C#CC[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)C)C1)C(=O)OC ZINC000839169942 727161597 /nfs/dbraw/zinc/16/15/97/727161597.db2.gz VZJNPZKESUVLSY-FRRDWIJNSA-N 1 2 253.342 1.345 20 30 CDEDLO C#CC[N@H+]1CCC2(CN(C(=O)c3cc(C(C)C)[nH]n3)C2)C1 ZINC001072999942 727170962 /nfs/dbraw/zinc/17/09/62/727170962.db2.gz ZCLLBAYSWBINHZ-UHFFFAOYSA-N 1 2 286.379 1.314 20 30 CDEDLO C#CC[N@@H+]1CCC2(CN(C(=O)c3cc(C(C)C)[nH]n3)C2)C1 ZINC001072999942 727170967 /nfs/dbraw/zinc/17/09/67/727170967.db2.gz ZCLLBAYSWBINHZ-UHFFFAOYSA-N 1 2 286.379 1.314 20 30 CDEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 ZINC001032396375 727178392 /nfs/dbraw/zinc/17/83/92/727178392.db2.gz SHYCROIHFGSAAD-GJZGRUSLSA-N 1 2 299.374 1.490 20 30 CDEDLO Cc1noc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 ZINC001032396375 727178400 /nfs/dbraw/zinc/17/84/00/727178400.db2.gz SHYCROIHFGSAAD-GJZGRUSLSA-N 1 2 299.374 1.490 20 30 CDEDLO C[C@H](O[NH+]=C(N)CCO)c1nnc(-c2cccs2)o1 ZINC000121377576 727181207 /nfs/dbraw/zinc/18/12/07/727181207.db2.gz QKEKWMQTBYQNHH-ZETCQYMHSA-N 1 2 282.325 1.530 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1nc(Cl)sc1C ZINC001038504706 727193999 /nfs/dbraw/zinc/19/39/99/727193999.db2.gz QDBFYRJLSHEOKN-VIFPVBQESA-N 1 2 283.784 1.542 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1nc(Cl)sc1C ZINC001038504706 727194002 /nfs/dbraw/zinc/19/40/02/727194002.db2.gz QDBFYRJLSHEOKN-VIFPVBQESA-N 1 2 283.784 1.542 20 30 CDEDLO COCCO[NH+]=C(C)c1cc([N+](=O)[O-])ccc1N ZINC000814865072 727197658 /nfs/dbraw/zinc/19/76/58/727197658.db2.gz OQDSTGMIVHMLHH-UHFFFAOYSA-N 1 2 253.258 1.564 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2ccccc2CO1 ZINC001038971963 727198690 /nfs/dbraw/zinc/19/86/90/727198690.db2.gz JPKHTWISNVZKOR-IRXDYDNUSA-N 1 2 298.386 1.342 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2ccccc2CO1 ZINC001038971963 727198697 /nfs/dbraw/zinc/19/86/97/727198697.db2.gz JPKHTWISNVZKOR-IRXDYDNUSA-N 1 2 298.386 1.342 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C(C)C)n1 ZINC001018015864 727204409 /nfs/dbraw/zinc/20/44/09/727204409.db2.gz YCROWXLSSFCHMR-OKILXGFUSA-N 1 2 288.395 1.939 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C(C)C)n1 ZINC001018015864 727204416 /nfs/dbraw/zinc/20/44/16/727204416.db2.gz YCROWXLSSFCHMR-OKILXGFUSA-N 1 2 288.395 1.939 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1csnc1C ZINC001038169199 727217454 /nfs/dbraw/zinc/21/74/54/727217454.db2.gz RUIWLJKPVVUKBQ-NSHDSACASA-N 1 2 263.366 1.279 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1csnc1C ZINC001038169199 727217459 /nfs/dbraw/zinc/21/74/59/727217459.db2.gz RUIWLJKPVVUKBQ-NSHDSACASA-N 1 2 263.366 1.279 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccn(CC)c1C ZINC001038616358 727226737 /nfs/dbraw/zinc/22/67/37/727226737.db2.gz JBCOVYOWDQCCIR-ZDUSSCGKSA-N 1 2 259.353 1.254 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn(CC)c1C ZINC001038616358 727226738 /nfs/dbraw/zinc/22/67/38/727226738.db2.gz JBCOVYOWDQCCIR-ZDUSSCGKSA-N 1 2 259.353 1.254 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc3cc[nH]c3c2)C1 ZINC001043038507 727233330 /nfs/dbraw/zinc/23/33/30/727233330.db2.gz MHEPPVDPKFVJNK-UHFFFAOYSA-N 1 2 282.347 1.342 20 30 CDEDLO Cc1nc(N(C)C[C@@H]2CCCN2C(=O)[C@H](C)C#N)cc[nH+]1 ZINC001067742983 727234574 /nfs/dbraw/zinc/23/45/74/727234574.db2.gz SJPYTWLSJXTIPR-YPMHNXCESA-N 1 2 287.367 1.372 20 30 CDEDLO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccnc2)[nH]1 ZINC001038171070 727237642 /nfs/dbraw/zinc/23/76/42/727237642.db2.gz VVKNUYKZEFOYMG-AWEZNQCLSA-N 1 2 295.346 1.286 20 30 CDEDLO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccnc2)[nH]1 ZINC001038171070 727237643 /nfs/dbraw/zinc/23/76/43/727237643.db2.gz VVKNUYKZEFOYMG-AWEZNQCLSA-N 1 2 295.346 1.286 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCCO2)C1 ZINC001042618882 727248732 /nfs/dbraw/zinc/24/87/32/727248732.db2.gz RKMIBKFQHDVUIX-ZDUSSCGKSA-N 1 2 252.358 1.274 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1 ZINC001039047261 727250113 /nfs/dbraw/zinc/25/01/13/727250113.db2.gz OWRSXMIVVVLZJM-WBVHZDCISA-N 1 2 298.386 1.431 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1 ZINC001039047261 727250117 /nfs/dbraw/zinc/25/01/17/727250117.db2.gz OWRSXMIVVVLZJM-WBVHZDCISA-N 1 2 298.386 1.431 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cncnc2)CC[C@H]1C ZINC001071448567 727255662 /nfs/dbraw/zinc/25/56/62/727255662.db2.gz XPQZGDVSVIVKDG-DGCLKSJQSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cncnc2)CC[C@H]1C ZINC001071448567 727255668 /nfs/dbraw/zinc/25/56/68/727255668.db2.gz XPQZGDVSVIVKDG-DGCLKSJQSA-N 1 2 294.786 1.812 20 30 CDEDLO C#CCNC(=O)CC[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000815020105 727302422 /nfs/dbraw/zinc/30/24/22/727302422.db2.gz YTKRVPJAEWXTBB-GFCCVEGCSA-N 1 2 276.340 1.045 20 30 CDEDLO C#CCNC(=O)CC[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000815020105 727302425 /nfs/dbraw/zinc/30/24/25/727302425.db2.gz YTKRVPJAEWXTBB-GFCCVEGCSA-N 1 2 276.340 1.045 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001017455060 727320071 /nfs/dbraw/zinc/32/00/71/727320071.db2.gz MDWCLQINKMTRIF-OYQDBORRSA-N 1 2 258.365 1.341 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001017455060 727320075 /nfs/dbraw/zinc/32/00/75/727320075.db2.gz MDWCLQINKMTRIF-OYQDBORRSA-N 1 2 258.365 1.341 20 30 CDEDLO CCN(C[C@H](C)C#N)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783974150 727326333 /nfs/dbraw/zinc/32/63/33/727326333.db2.gz HYMFAUDDFQCHDF-OLZOCXBDSA-N 1 2 289.383 1.175 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccncc2CC)C1 ZINC001043173807 727338541 /nfs/dbraw/zinc/33/85/41/727338541.db2.gz INMKNMUNWZJIMZ-UHFFFAOYSA-N 1 2 273.380 1.976 20 30 CDEDLO Clc1nccnc1N=NCc1c[nH+]c2n1CCC2 ZINC000853307358 727341771 /nfs/dbraw/zinc/34/17/71/727341771.db2.gz NUHJIUZGIMBNGO-UHFFFAOYSA-N 1 2 262.704 1.719 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C)c1 ZINC001032262177 727349043 /nfs/dbraw/zinc/34/90/43/727349043.db2.gz OSVHHUYCDCYRBZ-GJZGRUSLSA-N 1 2 254.333 1.527 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C)c1 ZINC001032262177 727349047 /nfs/dbraw/zinc/34/90/47/727349047.db2.gz OSVHHUYCDCYRBZ-GJZGRUSLSA-N 1 2 254.333 1.527 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn(CC)nn1 ZINC001028230320 727353606 /nfs/dbraw/zinc/35/36/06/727353606.db2.gz XYXADCVNWGJADQ-LLVKDONJSA-N 1 2 297.790 1.245 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(CC)nn1 ZINC001028230320 727353609 /nfs/dbraw/zinc/35/36/09/727353609.db2.gz XYXADCVNWGJADQ-LLVKDONJSA-N 1 2 297.790 1.245 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C)c(C)c2)C1 ZINC001035597930 727354849 /nfs/dbraw/zinc/35/48/49/727354849.db2.gz OAVZVBUXFUYRRM-INIZCTEOSA-N 1 2 288.391 1.920 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C)c(C)c2)C1 ZINC001035597930 727354854 /nfs/dbraw/zinc/35/48/54/727354854.db2.gz OAVZVBUXFUYRRM-INIZCTEOSA-N 1 2 288.391 1.920 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCC)C[C@@H]21 ZINC001074144739 727354916 /nfs/dbraw/zinc/35/49/16/727354916.db2.gz UTYWUGBEGHAFQE-UONOGXRCSA-N 1 2 266.385 1.664 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCC)C[C@@H]21 ZINC001074144739 727354919 /nfs/dbraw/zinc/35/49/19/727354919.db2.gz UTYWUGBEGHAFQE-UONOGXRCSA-N 1 2 266.385 1.664 20 30 CDEDLO N#Cc1cccn(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c1=O ZINC000789501445 727358441 /nfs/dbraw/zinc/35/84/41/727358441.db2.gz FIENNBVCCJCTGJ-UONOGXRCSA-N 1 2 273.336 1.321 20 30 CDEDLO N#Cc1cccn(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c1=O ZINC000789501445 727358443 /nfs/dbraw/zinc/35/84/43/727358443.db2.gz FIENNBVCCJCTGJ-UONOGXRCSA-N 1 2 273.336 1.321 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N(C)C)c(F)c1 ZINC000830771629 727392720 /nfs/dbraw/zinc/39/27/20/727392720.db2.gz QVAZTMUOPBIQQN-HNNXBMFYSA-N 1 2 289.354 1.928 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N(C)C)c(F)c1 ZINC000830771629 727392723 /nfs/dbraw/zinc/39/27/23/727392723.db2.gz QVAZTMUOPBIQQN-HNNXBMFYSA-N 1 2 289.354 1.928 20 30 CDEDLO Cc1cc(C)nc(N=NCc2c[nH+]c(N(C)C)n2C)n1 ZINC000811629162 727394496 /nfs/dbraw/zinc/39/44/96/727394496.db2.gz UAVWQJOVLYPONL-UHFFFAOYSA-N 1 2 273.344 1.339 20 30 CDEDLO C[C@H](C#N)OCC[NH+]1CCN([C@H](C)C(F)(F)F)CC1 ZINC000801925088 727394983 /nfs/dbraw/zinc/39/49/83/727394983.db2.gz ZEVBJSWFGUJCQJ-GHMZBOCLSA-N 1 2 279.306 1.483 20 30 CDEDLO CC[C@H](C)[C@H]([NH2+]Cc1nc(C#N)cs1)C(N)=O ZINC000887055892 727396652 /nfs/dbraw/zinc/39/66/52/727396652.db2.gz PYOYATODRTXMDI-XVKPBYJWSA-N 1 2 252.343 1.004 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C2CC2)nc1C ZINC001038720931 727396710 /nfs/dbraw/zinc/39/67/10/727396710.db2.gz OHFFNAZKYMUIED-AWEZNQCLSA-N 1 2 283.375 1.705 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C2CC2)nc1C ZINC001038720931 727396713 /nfs/dbraw/zinc/39/67/13/727396713.db2.gz OHFFNAZKYMUIED-AWEZNQCLSA-N 1 2 283.375 1.705 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(F)c(F)c1 ZINC001032594499 727400918 /nfs/dbraw/zinc/40/09/18/727400918.db2.gz XRMIUHCGBBWAEZ-STQMWFEESA-N 1 2 290.313 1.426 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(F)c(F)c1 ZINC001032594499 727400920 /nfs/dbraw/zinc/40/09/20/727400920.db2.gz XRMIUHCGBBWAEZ-STQMWFEESA-N 1 2 290.313 1.426 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1F ZINC001032253515 727401312 /nfs/dbraw/zinc/40/13/12/727401312.db2.gz IDBLXQCLTQGXJA-RYUDHWBXSA-N 1 2 258.296 1.358 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1F ZINC001032253515 727401313 /nfs/dbraw/zinc/40/13/13/727401313.db2.gz IDBLXQCLTQGXJA-RYUDHWBXSA-N 1 2 258.296 1.358 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccn(C3CCCC3)n2)C1 ZINC001030385847 727401889 /nfs/dbraw/zinc/40/18/89/727401889.db2.gz ZCTQJKIYQSJKNR-UHFFFAOYSA-N 1 2 286.379 1.436 20 30 CDEDLO Cc1c(N[NH+]=Cc2cnn(C)c2N)cccc1[N+](=O)[O-] ZINC000814833519 727402445 /nfs/dbraw/zinc/40/24/45/727402445.db2.gz GOMDYBNSUWZIEN-UHFFFAOYSA-N 1 2 274.284 1.665 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](C[C@@H](O)c2c(F)cccc2F)C1 ZINC000829975755 727403274 /nfs/dbraw/zinc/40/32/74/727403274.db2.gz TVRFLQIMECRBPS-TZMCWYRMSA-N 1 2 282.290 1.349 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](C[C@@H](O)c2c(F)cccc2F)C1 ZINC000829975755 727403277 /nfs/dbraw/zinc/40/32/77/727403277.db2.gz TVRFLQIMECRBPS-TZMCWYRMSA-N 1 2 282.290 1.349 20 30 CDEDLO COC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000245996722 727404705 /nfs/dbraw/zinc/40/47/05/727404705.db2.gz JHDVCEGKCOKLNR-ZIAGYGMSSA-N 1 2 274.320 1.229 20 30 CDEDLO COC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000245996722 727404708 /nfs/dbraw/zinc/40/47/08/727404708.db2.gz JHDVCEGKCOKLNR-ZIAGYGMSSA-N 1 2 274.320 1.229 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2ncoc2C(F)(F)F)C1 ZINC001015003194 727405651 /nfs/dbraw/zinc/40/56/51/727405651.db2.gz GOYHAQBSRXIOOW-QMMMGPOBSA-N 1 2 287.241 1.131 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2ncoc2C(F)(F)F)C1 ZINC001015003194 727405652 /nfs/dbraw/zinc/40/56/52/727405652.db2.gz GOYHAQBSRXIOOW-QMMMGPOBSA-N 1 2 287.241 1.131 20 30 CDEDLO C#CCOc1ccc(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000848194004 727423101 /nfs/dbraw/zinc/42/31/01/727423101.db2.gz CWUFZPGVTGIZKB-CYBMUJFWSA-N 1 2 297.358 1.917 20 30 CDEDLO C#CCOc1ccc(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000848194004 727423103 /nfs/dbraw/zinc/42/31/03/727423103.db2.gz CWUFZPGVTGIZKB-CYBMUJFWSA-N 1 2 297.358 1.917 20 30 CDEDLO C=C(C)CC[NH+]1CC(NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001031196468 727423798 /nfs/dbraw/zinc/42/37/98/727423798.db2.gz VWTKYDIUDBHWGU-UHFFFAOYSA-N 1 2 275.352 1.064 20 30 CDEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(F)s2)C1 ZINC001047645496 727428679 /nfs/dbraw/zinc/42/86/79/727428679.db2.gz UVONGOXCUFWYJN-QWRGUYRKSA-N 1 2 296.367 1.028 20 30 CDEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(F)s2)C1 ZINC001047645496 727428682 /nfs/dbraw/zinc/42/86/82/727428682.db2.gz UVONGOXCUFWYJN-QWRGUYRKSA-N 1 2 296.367 1.028 20 30 CDEDLO Cc1ccn(C[N@H+]2CCSC[C@H](C)C2)c(=O)c1C#N ZINC000792726504 727433392 /nfs/dbraw/zinc/43/33/92/727433392.db2.gz RXHCCFKWQUKTAF-LLVKDONJSA-N 1 2 277.393 1.671 20 30 CDEDLO Cc1ccn(C[N@@H+]2CCSC[C@H](C)C2)c(=O)c1C#N ZINC000792726504 727433394 /nfs/dbraw/zinc/43/33/94/727433394.db2.gz RXHCCFKWQUKTAF-LLVKDONJSA-N 1 2 277.393 1.671 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(C)cc1C ZINC000884075281 727438693 /nfs/dbraw/zinc/43/86/93/727438693.db2.gz SRHWIXUJRPWSSZ-AWEZNQCLSA-N 1 2 290.363 1.366 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnn(CC)c1 ZINC001027798203 727440050 /nfs/dbraw/zinc/44/00/50/727440050.db2.gz CXAQNJDKHAEHEZ-ZDUSSCGKSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(CC)c1 ZINC001027798203 727440051 /nfs/dbraw/zinc/44/00/51/727440051.db2.gz CXAQNJDKHAEHEZ-ZDUSSCGKSA-N 1 2 296.802 1.850 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)nsc1C ZINC001039054678 727447421 /nfs/dbraw/zinc/44/74/21/727447421.db2.gz VEHAKRJNODFLPF-LBPRGKRZSA-N 1 2 277.393 1.587 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)nsc1C ZINC001039054678 727447423 /nfs/dbraw/zinc/44/74/23/727447423.db2.gz VEHAKRJNODFLPF-LBPRGKRZSA-N 1 2 277.393 1.587 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2Cc3c(cccc3C)O2)C1 ZINC001031264787 727451671 /nfs/dbraw/zinc/45/16/71/727451671.db2.gz UWSVRCPVCZKAMW-MRXNPFEDSA-N 1 2 286.375 1.675 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@@H]3C)cc2C1 ZINC001054253656 727452646 /nfs/dbraw/zinc/45/26/46/727452646.db2.gz GLBOSSWVWNZGAI-LRDDRELGSA-N 1 2 268.360 1.908 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@@H]3C)cc2C1 ZINC001054253656 727452647 /nfs/dbraw/zinc/45/26/47/727452647.db2.gz GLBOSSWVWNZGAI-LRDDRELGSA-N 1 2 268.360 1.908 20 30 CDEDLO N#CCC1(C[NH+]2CCN(c3cc(F)ncn3)CC2)CC1 ZINC000878676930 727461976 /nfs/dbraw/zinc/46/19/76/727461976.db2.gz DZNIWWXCEISXKF-UHFFFAOYSA-N 1 2 275.331 1.432 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(Cl)c(OC)c2)C1 ZINC001031055473 727468298 /nfs/dbraw/zinc/46/82/98/727468298.db2.gz QZTKHQBBLDURCM-UHFFFAOYSA-N 1 2 292.766 1.786 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001019331743 727475154 /nfs/dbraw/zinc/47/51/54/727475154.db2.gz CNBZNKXHKWRKAF-FZMZJTMJSA-N 1 2 294.424 1.831 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CC(C)C)C[C@@H]21 ZINC001074148448 727785190 /nfs/dbraw/zinc/78/51/90/727785190.db2.gz VLEHGAQKYOYMBV-LSDHHAIUSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CC(C)C)C[C@@H]21 ZINC001074148448 727785194 /nfs/dbraw/zinc/78/51/94/727785194.db2.gz VLEHGAQKYOYMBV-LSDHHAIUSA-N 1 2 280.412 1.910 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](C[C@H](O)C(F)(F)F)CC2)cc1 ZINC000879586747 727798177 /nfs/dbraw/zinc/79/81/77/727798177.db2.gz SISNODRLLKCOPR-ZDUSSCGKSA-N 1 2 299.296 1.603 20 30 CDEDLO C#Cc1cccc(CNc2cc(NC[C@H](C)O)[nH+]cn2)c1 ZINC000840311832 727802332 /nfs/dbraw/zinc/80/23/32/727802332.db2.gz KZPUGCXXJYGQAR-LBPRGKRZSA-N 1 2 282.347 1.863 20 30 CDEDLO C#Cc1cccc(CNc2cc(NC[C@H](C)O)nc[nH+]2)c1 ZINC000840311832 727802333 /nfs/dbraw/zinc/80/23/33/727802333.db2.gz KZPUGCXXJYGQAR-LBPRGKRZSA-N 1 2 282.347 1.863 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn(C(C)(C)C)c2C)C1 ZINC001030402727 727803363 /nfs/dbraw/zinc/80/33/63/727803363.db2.gz YATWQIDIXSSJQE-UHFFFAOYSA-N 1 2 290.411 1.937 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2oc3ccccc3c2OC)C1 ZINC001015495163 727815388 /nfs/dbraw/zinc/81/53/88/727815388.db2.gz IXWGUXUOWVYJEJ-GFCCVEGCSA-N 1 2 298.342 1.879 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2oc3ccccc3c2OC)C1 ZINC001015495163 727815390 /nfs/dbraw/zinc/81/53/90/727815390.db2.gz IXWGUXUOWVYJEJ-GFCCVEGCSA-N 1 2 298.342 1.879 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c[nH]cc1C)O2 ZINC001053695384 727820871 /nfs/dbraw/zinc/82/08/71/727820871.db2.gz HAWINJKPENVVKL-CYBMUJFWSA-N 1 2 289.379 1.472 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cncc(Cl)c1 ZINC001038807872 727829564 /nfs/dbraw/zinc/82/95/64/727829564.db2.gz GFDMCSMLAJGYQM-GFCCVEGCSA-N 1 2 263.728 1.172 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncc(Cl)c1 ZINC001038807872 727829565 /nfs/dbraw/zinc/82/95/65/727829565.db2.gz GFDMCSMLAJGYQM-GFCCVEGCSA-N 1 2 263.728 1.172 20 30 CDEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C3CCC3)C2)CC1 ZINC001051964962 727842400 /nfs/dbraw/zinc/84/24/00/727842400.db2.gz PZMKLWXDRYEVHR-INIZCTEOSA-N 1 2 289.423 1.028 20 30 CDEDLO C=C(C)C[C@H](CO)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000882903375 727842566 /nfs/dbraw/zinc/84/25/66/727842566.db2.gz BDONGNHICGJBIJ-KGLIPLIRSA-N 1 2 279.384 1.914 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3coc(C)n3)[C@@H]2C1 ZINC001075712534 727875760 /nfs/dbraw/zinc/87/57/60/727875760.db2.gz XYDQEYIJQVXRLM-WCQYABFASA-N 1 2 295.770 1.882 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3coc(C)n3)[C@@H]2C1 ZINC001075712534 727875763 /nfs/dbraw/zinc/87/57/63/727875763.db2.gz XYDQEYIJQVXRLM-WCQYABFASA-N 1 2 295.770 1.882 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(C(C)(C)C)n1 ZINC001038313345 727882865 /nfs/dbraw/zinc/88/28/65/727882865.db2.gz CVDFKUHPJVKFQR-CYBMUJFWSA-N 1 2 288.395 1.466 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(C(C)(C)C)n1 ZINC001038313345 727882867 /nfs/dbraw/zinc/88/28/67/727882867.db2.gz CVDFKUHPJVKFQR-CYBMUJFWSA-N 1 2 288.395 1.466 20 30 CDEDLO Cc1nc(N(C)C2CCN(C(=O)[C@@H](C)C#N)CC2)cc[nH+]1 ZINC001068653530 727891567 /nfs/dbraw/zinc/89/15/67/727891567.db2.gz LLSVCXDLQQGSDA-NSHDSACASA-N 1 2 287.367 1.372 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(CF)CC3)C[C@@H]21 ZINC001074336027 727896907 /nfs/dbraw/zinc/89/69/07/727896907.db2.gz IZDPBGOVVIBESN-UONOGXRCSA-N 1 2 296.386 1.614 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3(CF)CC3)C[C@@H]21 ZINC001074336027 727896911 /nfs/dbraw/zinc/89/69/11/727896911.db2.gz IZDPBGOVVIBESN-UONOGXRCSA-N 1 2 296.386 1.614 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CO[C@@H](C)C3)cc2C1 ZINC001054271406 727927802 /nfs/dbraw/zinc/92/78/02/727927802.db2.gz NLYQWNNRAVIHSP-GUYCJALGSA-N 1 2 298.386 1.677 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CO[C@@H](C)C3)cc2C1 ZINC001054271406 727927807 /nfs/dbraw/zinc/92/78/07/727927807.db2.gz NLYQWNNRAVIHSP-GUYCJALGSA-N 1 2 298.386 1.677 20 30 CDEDLO C=C(CO)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000855763314 727929883 /nfs/dbraw/zinc/92/98/83/727929883.db2.gz MXMLQQKXKNITJN-CQSZACIVSA-N 1 2 285.347 1.369 20 30 CDEDLO Cc1nn(-c2cccc(C)c2)cc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000844589530 728009735 /nfs/dbraw/zinc/00/97/35/728009735.db2.gz HYFZFBVUULOYQH-LBPRGKRZSA-N 1 2 296.378 1.760 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(C)(F)F ZINC001032754505 728032614 /nfs/dbraw/zinc/03/26/14/728032614.db2.gz BXHJGKLJARTSRT-QWRGUYRKSA-N 1 2 270.323 1.586 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(C)(F)F ZINC001032754505 728032619 /nfs/dbraw/zinc/03/26/19/728032619.db2.gz BXHJGKLJARTSRT-QWRGUYRKSA-N 1 2 270.323 1.586 20 30 CDEDLO C=CCn1cc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCF)C2)nn1 ZINC001071883696 728033659 /nfs/dbraw/zinc/03/36/59/728033659.db2.gz PLCAIBLOSARFHX-NWDGAFQWSA-N 1 2 295.362 1.016 20 30 CDEDLO C=CCn1cc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCF)C2)nn1 ZINC001071883696 728033661 /nfs/dbraw/zinc/03/36/61/728033661.db2.gz PLCAIBLOSARFHX-NWDGAFQWSA-N 1 2 295.362 1.016 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001015756361 728038535 /nfs/dbraw/zinc/03/85/35/728038535.db2.gz JXLYIZDVPNVQHF-WDEREUQCSA-N 1 2 254.761 1.730 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001015756361 728038541 /nfs/dbraw/zinc/03/85/41/728038541.db2.gz JXLYIZDVPNVQHF-WDEREUQCSA-N 1 2 254.761 1.730 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000827910440 728050201 /nfs/dbraw/zinc/05/02/01/728050201.db2.gz JZTAUAUDQIJHSB-GXTWGEPZSA-N 1 2 276.384 1.495 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCOC2(C[NH+](CC)C2)C1 ZINC001053374801 728073803 /nfs/dbraw/zinc/07/38/03/728073803.db2.gz OCTDMFQXOHFFTG-UHFFFAOYSA-N 1 2 252.358 1.132 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(OCC)c(C)c1 ZINC001038769083 728088378 /nfs/dbraw/zinc/08/83/78/728088378.db2.gz UBPVKPLPSZORPM-HNNXBMFYSA-N 1 2 286.375 1.831 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OCC)c(C)c1 ZINC001038769083 728088379 /nfs/dbraw/zinc/08/83/79/728088379.db2.gz UBPVKPLPSZORPM-HNNXBMFYSA-N 1 2 286.375 1.831 20 30 CDEDLO O=C(C#CC1CC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000837314903 728092627 /nfs/dbraw/zinc/09/26/27/728092627.db2.gz XJQBTROUVWQGBE-UHFFFAOYSA-N 1 2 298.386 1.623 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]cnc2C)C1 ZINC001033618016 728097522 /nfs/dbraw/zinc/09/75/22/728097522.db2.gz DNXCQVWTOASYOP-GFCCVEGCSA-N 1 2 296.802 1.546 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]cnc2C)C1 ZINC001033618016 728097525 /nfs/dbraw/zinc/09/75/25/728097525.db2.gz DNXCQVWTOASYOP-GFCCVEGCSA-N 1 2 296.802 1.546 20 30 CDEDLO N#CC[C@@H](O)C[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000929845989 728155073 /nfs/dbraw/zinc/15/50/73/728155073.db2.gz YGJODTKJTUCGSG-OAHLLOKOSA-N 1 2 277.343 1.218 20 30 CDEDLO N#CC[C@@H](O)CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000929845989 728155074 /nfs/dbraw/zinc/15/50/74/728155074.db2.gz YGJODTKJTUCGSG-OAHLLOKOSA-N 1 2 277.343 1.218 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(CCC)on2)C1 ZINC001044128945 728164767 /nfs/dbraw/zinc/16/47/67/728164767.db2.gz UHTWQHBGCQLCBF-UHFFFAOYSA-N 1 2 275.352 1.407 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001010253186 728173628 /nfs/dbraw/zinc/17/36/28/728173628.db2.gz XPMLLBPDAJSAME-NEPJUHHUSA-N 1 2 272.776 1.499 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001010253186 728173634 /nfs/dbraw/zinc/17/36/34/728173634.db2.gz XPMLLBPDAJSAME-NEPJUHHUSA-N 1 2 272.776 1.499 20 30 CDEDLO Cc1cc(C[N@@H+](C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)no1 ZINC000971512517 728176094 /nfs/dbraw/zinc/17/60/94/728176094.db2.gz DAEUVPOEOLPBIH-OAHLLOKOSA-N 1 2 287.363 1.429 20 30 CDEDLO Cc1cc(C[N@H+](C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)no1 ZINC000971512517 728176097 /nfs/dbraw/zinc/17/60/97/728176097.db2.gz DAEUVPOEOLPBIH-OAHLLOKOSA-N 1 2 287.363 1.429 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc3nc[nH]c3n2)C1 ZINC001043045426 728198428 /nfs/dbraw/zinc/19/84/28/728198428.db2.gz BEUDMYMNPNVGQH-UHFFFAOYSA-N 1 2 285.351 1.290 20 30 CDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](C)OC)C1 ZINC001031077544 728204886 /nfs/dbraw/zinc/20/48/86/728204886.db2.gz YXSXSQHDRLIBME-SNPRPXQTSA-N 1 2 296.411 1.193 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000812092191 728205716 /nfs/dbraw/zinc/20/57/16/728205716.db2.gz KABGVIKOZMVIJO-CYBMUJFWSA-N 1 2 284.363 1.848 20 30 CDEDLO C[C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)CCN1CC#N ZINC000947540807 728222966 /nfs/dbraw/zinc/22/29/66/728222966.db2.gz YQVXRIDPYKZJPT-STQMWFEESA-N 1 2 297.362 1.441 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C2CCC2)c1 ZINC001032403854 728223794 /nfs/dbraw/zinc/22/37/94/728223794.db2.gz JBHIJTJCXCXWET-GJZGRUSLSA-N 1 2 284.363 1.140 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C2CCC2)c1 ZINC001032403854 728223796 /nfs/dbraw/zinc/22/37/96/728223796.db2.gz JBHIJTJCXCXWET-GJZGRUSLSA-N 1 2 284.363 1.140 20 30 CDEDLO N#C[C@@H]1CCCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000922078539 728235227 /nfs/dbraw/zinc/23/52/27/728235227.db2.gz DUALUPXUGBDXBH-NWDGAFQWSA-N 1 2 273.340 1.143 20 30 CDEDLO Cc1ccc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)c(C#N)n1 ZINC000881924388 728298259 /nfs/dbraw/zinc/29/82/59/728298259.db2.gz VKQSYQIKDTVFSU-OLZOCXBDSA-N 1 2 274.368 1.783 20 30 CDEDLO N#Cc1ccc([C@H]2CN(C(=O)Cn3cc[nH+]c3)CCO2)cc1 ZINC000887728953 728323344 /nfs/dbraw/zinc/32/33/44/728323344.db2.gz DNFILMXEUPFPRZ-OAHLLOKOSA-N 1 2 296.330 1.355 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(F)c1 ZINC001032317475 728332451 /nfs/dbraw/zinc/33/24/51/728332451.db2.gz UKUNQBIJTGEEOO-CQDKDKBSSA-N 1 2 287.338 1.770 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(F)c1 ZINC001032317475 728332454 /nfs/dbraw/zinc/33/24/54/728332454.db2.gz UKUNQBIJTGEEOO-CQDKDKBSSA-N 1 2 287.338 1.770 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ncccc1C ZINC001050863726 728333657 /nfs/dbraw/zinc/33/36/57/728333657.db2.gz SBFBSDHKBZVBFQ-AWEZNQCLSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ncccc1C ZINC001050863726 728333660 /nfs/dbraw/zinc/33/36/60/728333660.db2.gz SBFBSDHKBZVBFQ-AWEZNQCLSA-N 1 2 289.379 1.397 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccccc1OCCF ZINC000819489432 728346217 /nfs/dbraw/zinc/34/62/17/728346217.db2.gz UYKHCUTZJLACQA-CYBMUJFWSA-N 1 2 295.358 1.653 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccccc1OCCF ZINC000819489432 728346219 /nfs/dbraw/zinc/34/62/19/728346219.db2.gz UYKHCUTZJLACQA-CYBMUJFWSA-N 1 2 295.358 1.653 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cc(C)n[nH]2)C1 ZINC001010521831 728351352 /nfs/dbraw/zinc/35/13/52/728351352.db2.gz YKDUULRISTVZLL-NSHDSACASA-N 1 2 282.775 1.204 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cc(C)n[nH]2)C1 ZINC001010521831 728351353 /nfs/dbraw/zinc/35/13/53/728351353.db2.gz YKDUULRISTVZLL-NSHDSACASA-N 1 2 282.775 1.204 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cc(C)[nH]n2)C1 ZINC001010521831 728351355 /nfs/dbraw/zinc/35/13/55/728351355.db2.gz YKDUULRISTVZLL-NSHDSACASA-N 1 2 282.775 1.204 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cc(C)[nH]n2)C1 ZINC001010521831 728351356 /nfs/dbraw/zinc/35/13/56/728351356.db2.gz YKDUULRISTVZLL-NSHDSACASA-N 1 2 282.775 1.204 20 30 CDEDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2cccc(C#N)c2F)C1 ZINC000805471819 728353006 /nfs/dbraw/zinc/35/30/06/728353006.db2.gz USMAZIRQLLPVII-ZDUSSCGKSA-N 1 2 292.310 1.461 20 30 CDEDLO CC[N@H+]1CCO[C@H](C(=O)OCc2cccc(C#N)c2F)C1 ZINC000805471819 728353009 /nfs/dbraw/zinc/35/30/09/728353009.db2.gz USMAZIRQLLPVII-ZDUSSCGKSA-N 1 2 292.310 1.461 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2occc2Cl)C1 ZINC001043768089 728367796 /nfs/dbraw/zinc/36/77/96/728367796.db2.gz MIKSRKIPVUDUAQ-UHFFFAOYSA-N 1 2 266.728 1.713 20 30 CDEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)C(F)(F)F ZINC001017573927 728372615 /nfs/dbraw/zinc/37/26/15/728372615.db2.gz XZEICVGHQKMAQA-OUAUKWLOSA-N 1 2 292.276 1.585 20 30 CDEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)C(F)(F)F ZINC001017573927 728372619 /nfs/dbraw/zinc/37/26/19/728372619.db2.gz XZEICVGHQKMAQA-OUAUKWLOSA-N 1 2 292.276 1.585 20 30 CDEDLO CCC[C@](C)(C#N)[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173749860 912787633 /nfs/dbraw/zinc/78/76/33/912787633.db2.gz XCILGZJAWDLLMX-YNEHKIRRSA-N 1 2 262.361 1.829 20 30 CDEDLO COc1cncc([NH+]=C(NO)c2ccccc2N)c1 ZINC001174090999 912993891 /nfs/dbraw/zinc/99/38/91/912993891.db2.gz HPWSTFABXHLNEM-UHFFFAOYSA-N 1 2 258.281 1.730 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2ccc(Cl)c(C#N)c2)C1 ZINC001233922987 913136163 /nfs/dbraw/zinc/13/61/63/913136163.db2.gz IACYOKPTONBBQY-LBPRGKRZSA-N 1 2 266.728 1.921 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2ccc(Cl)c(C#N)c2)C1 ZINC001233922987 913136171 /nfs/dbraw/zinc/13/61/71/913136171.db2.gz IACYOKPTONBBQY-LBPRGKRZSA-N 1 2 266.728 1.921 20 30 CDEDLO Nc1ccccc1C(NO)=[NH+]c1cnc(C2CC2)nc1 ZINC001174617714 913278448 /nfs/dbraw/zinc/27/84/48/913278448.db2.gz IXXOVPYXTINWGL-UHFFFAOYSA-N 1 2 269.308 1.993 20 30 CDEDLO C=C(C)CN(CC)c1cc(N2CCC[C@H]2C(N)=O)nc[nH+]1 ZINC001167051009 894008669 /nfs/dbraw/zinc/00/86/69/894008669.db2.gz UFKHLIPZAUVEAD-LBPRGKRZSA-N 1 2 289.383 1.333 20 30 CDEDLO C=C(C)CN(CC)c1cc(N2CCC[C@H]2C(N)=O)[nH+]cn1 ZINC001167051009 894008678 /nfs/dbraw/zinc/00/86/78/894008678.db2.gz UFKHLIPZAUVEAD-LBPRGKRZSA-N 1 2 289.383 1.333 20 30 CDEDLO N#Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2C/C=C/Cl)c[nH]1 ZINC001038169715 894193156 /nfs/dbraw/zinc/19/31/56/894193156.db2.gz UYYUPFZOQDSRDN-JWPFQLSCSA-N 1 2 278.743 1.443 20 30 CDEDLO N#Cc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C/C=C/Cl)c[nH]1 ZINC001038169715 894193160 /nfs/dbraw/zinc/19/31/60/894193160.db2.gz UYYUPFZOQDSRDN-JWPFQLSCSA-N 1 2 278.743 1.443 20 30 CDEDLO C[C@@H]1C[N@H+](C2CN(Cc3cc(C#N)n(C)c3)C2)C[C@H](C)O1 ZINC001207109220 895582157 /nfs/dbraw/zinc/58/21/57/895582157.db2.gz VGYBXMGBZKWXCN-BETUJISGSA-N 1 2 288.395 1.190 20 30 CDEDLO C[C@@H]1C[N@@H+](C2CN(Cc3cc(C#N)n(C)c3)C2)C[C@H](C)O1 ZINC001207109220 895582171 /nfs/dbraw/zinc/58/21/71/895582171.db2.gz VGYBXMGBZKWXCN-BETUJISGSA-N 1 2 288.395 1.190 20 30 CDEDLO COc1c[nH+]ccc1Nc1cc(C#N)c(F)cc1O ZINC001211264042 895654761 /nfs/dbraw/zinc/65/47/61/895654761.db2.gz UEDDEILVYBIXEK-UHFFFAOYSA-N 1 2 259.240 1.972 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c(F)c(F)ccc2OC)CC1 ZINC001143412752 896376557 /nfs/dbraw/zinc/37/65/57/896376557.db2.gz FOFFMELMAAQUGM-UHFFFAOYSA-N 1 2 280.318 1.724 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C)cc3)[C@H]2C1 ZINC001083256958 897301014 /nfs/dbraw/zinc/30/10/14/897301014.db2.gz ZFTSPWIQVYQDKQ-DLBZAZTESA-N 1 2 298.386 1.544 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C)cc3)[C@H]2C1 ZINC001083256958 897301027 /nfs/dbraw/zinc/30/10/27/897301027.db2.gz ZFTSPWIQVYQDKQ-DLBZAZTESA-N 1 2 298.386 1.544 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N(C)[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001104597757 898777997 /nfs/dbraw/zinc/77/79/97/898777997.db2.gz YUXYTODMMGBDJJ-RYUDHWBXSA-N 1 2 292.383 1.635 20 30 CDEDLO C#CCCCCC(=O)NCC[NH2+][C@@H](C)c1nc(CC)no1 ZINC001125951869 900232696 /nfs/dbraw/zinc/23/26/96/900232696.db2.gz YNBFKFJGEIJDHU-LBPRGKRZSA-N 1 2 292.383 1.592 20 30 CDEDLO CCc1ccc(C[NH+]2CC(NC(=O)[C@@H](C)C#N)C2)cc1 ZINC001481549097 901189785 /nfs/dbraw/zinc/18/97/85/901189785.db2.gz AQFZZRIFKJVHAW-LBPRGKRZSA-N 1 2 271.364 1.709 20 30 CDEDLO C=CCOc1ccc(CC(=O)NC2C[NH+](CC=C)C2)cc1 ZINC001031454102 914651671 /nfs/dbraw/zinc/65/16/71/914651671.db2.gz KDEOIJRAOMGTSG-UHFFFAOYSA-N 1 2 286.375 1.780 20 30 CDEDLO C=CC[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](COCCOC)C[C@H]21 ZINC001268968326 903290014 /nfs/dbraw/zinc/29/00/14/903290014.db2.gz NMOPNJUWTOXLFL-QLFBSQMISA-N 1 2 296.411 1.352 20 30 CDEDLO C=CC[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](COCCOC)C[C@H]21 ZINC001268968326 903290025 /nfs/dbraw/zinc/29/00/25/903290025.db2.gz NMOPNJUWTOXLFL-QLFBSQMISA-N 1 2 296.411 1.352 20 30 CDEDLO C=CC[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](COCCOC)C[C@H]21 ZINC001268968327 903290076 /nfs/dbraw/zinc/29/00/76/903290076.db2.gz NMOPNJUWTOXLFL-SOUVJXGZSA-N 1 2 296.411 1.352 20 30 CDEDLO C=CC[C@H](C)C(=O)N1CC[C@H]2C[N@H+](COCCOC)C[C@H]21 ZINC001268968327 903290084 /nfs/dbraw/zinc/29/00/84/903290084.db2.gz NMOPNJUWTOXLFL-SOUVJXGZSA-N 1 2 296.411 1.352 20 30 CDEDLO Cc1nc(N(C)[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001061175126 921258531 /nfs/dbraw/zinc/25/85/31/921258531.db2.gz DOTFXCSETWYLKB-AAEUAGOBSA-N 1 2 287.367 1.372 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)C2CC2)[C@H](O)C1 ZINC001089995203 921301262 /nfs/dbraw/zinc/30/12/62/921301262.db2.gz ZUVNIBWEKLUTDK-JKSUJKDBSA-N 1 2 299.374 1.020 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)C2CC2)[C@H](O)C1 ZINC001089995203 921301265 /nfs/dbraw/zinc/30/12/65/921301265.db2.gz ZUVNIBWEKLUTDK-JKSUJKDBSA-N 1 2 299.374 1.020 20 30 CDEDLO C[C@@H](O)[C@@H]([NH3+])c1nc(-c2cc(F)cc(C#N)c2)no1 ZINC001204827856 907543796 /nfs/dbraw/zinc/54/37/96/907543796.db2.gz AMSOKLPEHXMOHJ-LHLIQPBNSA-N 1 2 262.244 1.128 20 30 CDEDLO C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH]ncc32)[C@H]1C ZINC001088567952 907981998 /nfs/dbraw/zinc/98/19/98/907981998.db2.gz LVDIJPSZEOPEKV-DYEKYZERSA-N 1 2 288.395 1.595 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH]ncc32)[C@H]1C ZINC001088567952 907982013 /nfs/dbraw/zinc/98/20/13/907982013.db2.gz LVDIJPSZEOPEKV-DYEKYZERSA-N 1 2 288.395 1.595 20 30 CDEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1C)c1nccn12 ZINC001092386880 909386766 /nfs/dbraw/zinc/38/67/66/909386766.db2.gz PPIQIJODBDVHAS-MGPQQGTHSA-N 1 2 298.390 1.134 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)C1 ZINC001093500928 909916694 /nfs/dbraw/zinc/91/66/94/909916694.db2.gz CKSRMLZVNNRBPE-IUODEOHRSA-N 1 2 278.396 1.520 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cn1cc(C)cn1 ZINC001409525688 910481600 /nfs/dbraw/zinc/48/16/00/910481600.db2.gz LFUXBARUQACNRJ-GFCCVEGCSA-N 1 2 284.791 1.381 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cn1cc(C)cn1 ZINC001409525688 910481614 /nfs/dbraw/zinc/48/16/14/910481614.db2.gz LFUXBARUQACNRJ-GFCCVEGCSA-N 1 2 284.791 1.381 20 30 CDEDLO CN1C[C@@H](CNc2cc(C3(C#N)CC3)cc[nH+]2)CC1=O ZINC001168726121 921586822 /nfs/dbraw/zinc/58/68/22/921586822.db2.gz ZRGQDDIDWRHPQH-LLVKDONJSA-N 1 2 270.336 1.527 20 30 CDEDLO C=CCO[C@H](C)C(=O)NCCCNc1cc[nH+]c(C)n1 ZINC001094476923 910620234 /nfs/dbraw/zinc/62/02/34/910620234.db2.gz LLDBEQBRRUVBBY-LLVKDONJSA-N 1 2 278.356 1.294 20 30 CDEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cnc[nH]1 ZINC001273023101 921599477 /nfs/dbraw/zinc/59/94/77/921599477.db2.gz JMAAJHULXHGWRU-MRXNPFEDSA-N 1 2 288.395 1.943 20 30 CDEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cnc[nH]1 ZINC001273023101 921599481 /nfs/dbraw/zinc/59/94/81/921599481.db2.gz JMAAJHULXHGWRU-MRXNPFEDSA-N 1 2 288.395 1.943 20 30 CDEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c[nH]cn1 ZINC001273023101 921599488 /nfs/dbraw/zinc/59/94/88/921599488.db2.gz JMAAJHULXHGWRU-MRXNPFEDSA-N 1 2 288.395 1.943 20 30 CDEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c[nH]cn1 ZINC001273023101 921599492 /nfs/dbraw/zinc/59/94/92/921599492.db2.gz JMAAJHULXHGWRU-MRXNPFEDSA-N 1 2 288.395 1.943 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2csc([C@H](C)OC)n2)C1 ZINC001030314757 911675484 /nfs/dbraw/zinc/67/54/84/911675484.db2.gz HZOTUIGOSUSYDM-JTQLQIEISA-N 1 2 295.408 1.841 20 30 CDEDLO 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CC#CC[NH2+][C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)[C@H]1C ZINC001178747453 915610782 /nfs/dbraw/zinc/61/07/82/915610782.db2.gz XJTAAKPWMSDINL-GUBZILKMSA-N 1 2 280.265 1.489 20 30 CDEDLO C[C@H](C#N)C(=O)NCC[NH2+]Cc1nc(C2CCCC2)no1 ZINC001124897064 936343469 /nfs/dbraw/zinc/34/34/69/936343469.db2.gz QTVHYDXSZYBWEO-SNVBAGLBSA-N 1 2 291.355 1.093 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(C)(C)C)[C@H](OC)C1 ZINC001213275516 916379671 /nfs/dbraw/zinc/37/96/71/916379671.db2.gz HZJDSDUENUQGPP-CHWSQXEVSA-N 1 2 280.412 1.507 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C(C)(C)C)[C@H](OC)C1 ZINC001213275516 916379687 /nfs/dbraw/zinc/37/96/87/916379687.db2.gz HZJDSDUENUQGPP-CHWSQXEVSA-N 1 2 280.412 1.507 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137841571 936420181 /nfs/dbraw/zinc/42/01/81/936420181.db2.gz KBULPTWTDSJSCG-UHFFFAOYSA-N 1 2 292.310 1.810 20 30 CDEDLO N#Cc1cc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)c(F)cc1F ZINC001237523593 917472097 /nfs/dbraw/zinc/47/20/97/917472097.db2.gz 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/nfs/dbraw/zinc/77/86/09/928778609.db2.gz CIAZMBCJUZGADW-CRWXNKLISA-N 1 2 284.375 1.659 20 30 CDEDLO C=CCCC(=O)N1CC[NH+](CCn2nc(C)cc2C)CC1 ZINC001112688435 929328747 /nfs/dbraw/zinc/32/87/47/929328747.db2.gz PCZPBUSXOURNLA-UHFFFAOYSA-N 1 2 290.411 1.610 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001134428153 929733412 /nfs/dbraw/zinc/73/34/12/929733412.db2.gz AXDLDVWYFBKLLL-SNVBAGLBSA-N 1 2 280.372 1.747 20 30 CDEDLO CC[N@H+](Cc1cscn1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152419875 937361009 /nfs/dbraw/zinc/36/10/09/937361009.db2.gz ICYFFJXMUXNEEU-WDEREUQCSA-N 1 2 280.397 1.629 20 30 CDEDLO CC[N@@H+](Cc1cscn1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152419875 937361011 /nfs/dbraw/zinc/36/10/11/937361011.db2.gz ICYFFJXMUXNEEU-WDEREUQCSA-N 1 2 280.397 1.629 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnc3cccc(C)n23)CC1 ZINC001137197629 930283814 /nfs/dbraw/zinc/28/38/14/930283814.db2.gz CXESMRLEWPMYCA-UHFFFAOYSA-N 1 2 268.364 1.394 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc2c(c1)CCO2 ZINC000819403528 930798222 /nfs/dbraw/zinc/79/82/22/930798222.db2.gz LCGDGUNWPPCAET-CQSZACIVSA-N 1 2 275.352 1.240 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc2c(c1)CCO2 ZINC000819403528 930798228 /nfs/dbraw/zinc/79/82/28/930798228.db2.gz LCGDGUNWPPCAET-CQSZACIVSA-N 1 2 275.352 1.240 20 30 CDEDLO NC(=O)C1(c2ccc(NCCCS)[nH+]c2)CC1 ZINC001171001029 931237031 /nfs/dbraw/zinc/23/70/31/931237031.db2.gz NVNXLDQTBKUJCM-UHFFFAOYSA-N 1 2 251.355 1.330 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C)[C@@H](O)C1 ZINC001090746046 931386474 /nfs/dbraw/zinc/38/64/74/931386474.db2.gz GFROQICQKWGKHW-QWRGUYRKSA-N 1 2 274.792 1.336 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C)[C@@H](O)C1 ZINC001090746046 931386478 /nfs/dbraw/zinc/38/64/78/931386478.db2.gz GFROQICQKWGKHW-QWRGUYRKSA-N 1 2 274.792 1.336 20 30 CDEDLO C#CC[NH+](CC#C)Cc1[nH]c(C)c(CCC(=O)OC)c1C ZINC001136923123 931479068 /nfs/dbraw/zinc/47/90/68/931479068.db2.gz FITZUIQVSNXRBX-UHFFFAOYSA-N 1 2 286.375 1.806 20 30 CDEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2c1cccc[nH+]1 ZINC001274740689 931564616 /nfs/dbraw/zinc/56/46/16/931564616.db2.gz ZSDPBKGGZMNOHX-CHWSQXEVSA-N 1 2 255.321 1.285 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1[nH]ccc1C#N ZINC001274855676 931594809 /nfs/dbraw/zinc/59/48/09/931594809.db2.gz RGCCTAAZURQGCI-QGZVFWFLSA-N 1 2 296.374 1.477 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1[nH]ccc1C#N ZINC001274855676 931594814 /nfs/dbraw/zinc/59/48/14/931594814.db2.gz RGCCTAAZURQGCI-QGZVFWFLSA-N 1 2 296.374 1.477 20 30 CDEDLO C=CC[C@H](C)C(=O)Nc1[nH+]cnc2[nH]cc(C(=O)OC)c21 ZINC001144012256 931626207 /nfs/dbraw/zinc/62/62/07/931626207.db2.gz DCFJEOWVQKRQMJ-QMMMGPOBSA-N 1 2 288.307 1.895 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccon1 ZINC001275514321 931847076 /nfs/dbraw/zinc/84/70/76/931847076.db2.gz WXGSHJJEEVHWNY-VIFPVBQESA-N 1 2 257.721 1.477 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccon1 ZINC001275514321 931847077 /nfs/dbraw/zinc/84/70/77/931847077.db2.gz WXGSHJJEEVHWNY-VIFPVBQESA-N 1 2 257.721 1.477 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cccnc2C(F)(F)F)CC1 ZINC001144530954 931885354 /nfs/dbraw/zinc/88/53/54/931885354.db2.gz BGVSPDYTTQUNJA-UHFFFAOYSA-N 1 2 283.297 1.851 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)OC)CC1 ZINC001144801218 932024468 /nfs/dbraw/zinc/02/44/68/932024468.db2.gz CPUDEYFZLULQCD-KGLIPLIRSA-N 1 2 294.395 1.296 20 30 CDEDLO Cn1cncc1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001204383629 937606206 /nfs/dbraw/zinc/60/62/06/937606206.db2.gz LHOGXCJQKOVETI-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO Cn1cncc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001204383629 937606208 /nfs/dbraw/zinc/60/62/08/937606208.db2.gz LHOGXCJQKOVETI-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO Cn1c[nH+]cc1CN1CCc2ccc(C#N)cc2C1 ZINC001204383629 937606210 /nfs/dbraw/zinc/60/62/10/937606210.db2.gz LHOGXCJQKOVETI-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc3c1CCC3)C2 ZINC001095676756 932746336 /nfs/dbraw/zinc/74/63/36/932746336.db2.gz NTNLJDNFXXAAHZ-SWHYSGLUSA-N 1 2 286.379 1.420 20 30 CDEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc3c1CCC3)C2 ZINC001095676756 932746341 /nfs/dbraw/zinc/74/63/41/932746341.db2.gz NTNLJDNFXXAAHZ-SWHYSGLUSA-N 1 2 286.379 1.420 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)CC2CC2)C1 ZINC001148985603 932819564 /nfs/dbraw/zinc/81/95/64/932819564.db2.gz JBZIEGUPHQFGCG-CYBMUJFWSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)CC2CC2)C1 ZINC001148985603 932819571 /nfs/dbraw/zinc/81/95/71/932819571.db2.gz JBZIEGUPHQFGCG-CYBMUJFWSA-N 1 2 286.803 1.746 20 30 CDEDLO C#Cc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000934922672 934001293 /nfs/dbraw/zinc/00/12/93/934001293.db2.gz MEYYQGYFZNRUJI-MRXNPFEDSA-N 1 2 299.374 1.606 20 30 CDEDLO Cc1nc(NC[C@H]2C[C@H](NC(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001114767971 934961180 /nfs/dbraw/zinc/96/11/80/934961180.db2.gz GGWYLWFLMWFRSM-HDJSIYSDSA-N 1 2 286.379 1.751 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H](C)C[C@@H]1CCOC1)C(=O)OC ZINC000796015333 934961495 /nfs/dbraw/zinc/96/14/95/934961495.db2.gz ONMQAHOBIKZMJC-AVGNSLFASA-N 1 2 271.357 1.135 20 30 CDEDLO CC(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001038002221 935327275 /nfs/dbraw/zinc/32/72/75/935327275.db2.gz IYGUCNIFSPYALG-HNNXBMFYSA-N 1 2 276.767 1.902 20 30 CDEDLO CC(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001038002221 935327283 /nfs/dbraw/zinc/32/72/83/935327283.db2.gz IYGUCNIFSPYALG-HNNXBMFYSA-N 1 2 276.767 1.902 20 30 CDEDLO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2c[nH]cc3ncnc2-3)C1 ZINC001007381165 935380419 /nfs/dbraw/zinc/38/04/19/935380419.db2.gz BNDBTNYCPPRJAT-LBPRGKRZSA-N 1 2 299.378 1.728 20 30 CDEDLO C=CCC[N@H+]1CCC[C@H](NC(=O)c2c[nH]cc3ncnc2-3)C1 ZINC001007381165 935380426 /nfs/dbraw/zinc/38/04/26/935380426.db2.gz BNDBTNYCPPRJAT-LBPRGKRZSA-N 1 2 299.378 1.728 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCO[C@@H]1C ZINC001017511260 935640953 /nfs/dbraw/zinc/64/09/53/935640953.db2.gz CBRDRQIKYSNMOA-WCVJEAGWSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCO[C@@H]1C ZINC001017511260 935640955 /nfs/dbraw/zinc/64/09/55/935640955.db2.gz CBRDRQIKYSNMOA-WCVJEAGWSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1Cc2cccnc2C1 ZINC001018215305 935663352 /nfs/dbraw/zinc/66/33/52/935663352.db2.gz KYOCAWRKSHJDJO-OAGGEKHMSA-N 1 2 295.386 1.105 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1Cc2cccnc2C1 ZINC001018215305 935663354 /nfs/dbraw/zinc/66/33/54/935663354.db2.gz KYOCAWRKSHJDJO-OAGGEKHMSA-N 1 2 295.386 1.105 20 30 CDEDLO Cc1oncc1C[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038174659 935736752 /nfs/dbraw/zinc/73/67/52/935736752.db2.gz IMRTYXDSGKXXFJ-AWEZNQCLSA-N 1 2 299.334 1.187 20 30 CDEDLO Cc1oncc1C[N@H+]1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038174659 935736756 /nfs/dbraw/zinc/73/67/56/935736756.db2.gz IMRTYXDSGKXXFJ-AWEZNQCLSA-N 1 2 299.334 1.187 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1csc([C@@H](C)OC)n1 ZINC001038257147 935738776 /nfs/dbraw/zinc/73/87/76/935738776.db2.gz ZVTCKTQWZHYQIG-GHMZBOCLSA-N 1 2 295.408 1.841 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1csc([C@@H](C)OC)n1 ZINC001038257147 935738778 /nfs/dbraw/zinc/73/87/78/935738778.db2.gz ZVTCKTQWZHYQIG-GHMZBOCLSA-N 1 2 295.408 1.841 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1noc2c1CCCCC2 ZINC001038759893 935755775 /nfs/dbraw/zinc/75/57/75/935755775.db2.gz AYEFKZCVPJMGOL-LBPRGKRZSA-N 1 2 287.363 1.381 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1noc2c1CCCCC2 ZINC001038759893 935755776 /nfs/dbraw/zinc/75/57/76/935755776.db2.gz AYEFKZCVPJMGOL-LBPRGKRZSA-N 1 2 287.363 1.381 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccn1 ZINC001039531035 935778314 /nfs/dbraw/zinc/77/83/14/935778314.db2.gz HIOCRURQJSZBDL-BMFZPTHFSA-N 1 2 298.390 1.807 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccn1 ZINC001039531035 935778316 /nfs/dbraw/zinc/77/83/16/935778316.db2.gz HIOCRURQJSZBDL-BMFZPTHFSA-N 1 2 298.390 1.807 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cn(C3CCC3)nn2)C1 ZINC001042733824 935828247 /nfs/dbraw/zinc/82/82/47/935828247.db2.gz VUFVGFWKJUWCSR-UHFFFAOYSA-N 1 2 289.383 1.335 20 30 CDEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@@](C)(C2CCCC2)C1=O ZINC000802738888 936059210 /nfs/dbraw/zinc/05/92/10/936059210.db2.gz WGIFIKFQVOAWHR-HNNXBMFYSA-N 1 2 279.384 1.953 20 30 CDEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@@](C)(C2CCCC2)C1=O ZINC000802738888 936059212 /nfs/dbraw/zinc/05/92/12/936059212.db2.gz WGIFIKFQVOAWHR-HNNXBMFYSA-N 1 2 279.384 1.953 20 30 CDEDLO Cc1nc(N[C@H]2C[C@@H](NC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001097181585 936280080 /nfs/dbraw/zinc/28/00/80/936280080.db2.gz MOKIPQPIXDVTIR-BETUJISGSA-N 1 2 270.336 1.258 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122436576 937931991 /nfs/dbraw/zinc/93/19/91/937931991.db2.gz GIZAVEMZVDJMLM-WCQYABFASA-N 1 2 292.383 1.276 20 30 CDEDLO N#CN=C(Nc1cc(-n2ccnc2)cc[nH+]1)c1ccncc1 ZINC001156326767 938352378 /nfs/dbraw/zinc/35/23/78/938352378.db2.gz XQYCBMGFQPQYMW-UHFFFAOYSA-N 1 2 289.302 1.811 20 30 CDEDLO COc1cc(C[N@H+]2C[C@H](CO)C[C@H](F)C2)ccc1C#N ZINC001238409169 945171124 /nfs/dbraw/zinc/17/11/24/945171124.db2.gz CGMLJHJGBWRAML-OCCSQVGLSA-N 1 2 278.327 1.719 20 30 CDEDLO COc1cc(C[N@@H+]2C[C@H](CO)C[C@H](F)C2)ccc1C#N ZINC001238409169 945171132 /nfs/dbraw/zinc/17/11/32/945171132.db2.gz CGMLJHJGBWRAML-OCCSQVGLSA-N 1 2 278.327 1.719 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1cc(C#N)cc(C)n1 ZINC001157466961 938497503 /nfs/dbraw/zinc/49/75/03/938497503.db2.gz RHEIOWWGQYLYQJ-UHFFFAOYSA-N 1 2 255.325 1.985 20 30 CDEDLO Cc1cc(C#N)c(N[C@@H]2CCC[N@@H+](C3COC3)C2)nc1C ZINC001157583531 938516239 /nfs/dbraw/zinc/51/62/39/938516239.db2.gz PYCXYFGPCRCGKS-CQSZACIVSA-N 1 2 286.379 1.845 20 30 CDEDLO Cc1cc(C#N)c(N[C@@H]2CCC[N@H+](C3COC3)C2)nc1C ZINC001157583531 938516241 /nfs/dbraw/zinc/51/62/41/938516241.db2.gz PYCXYFGPCRCGKS-CQSZACIVSA-N 1 2 286.379 1.845 20 30 CDEDLO CC(=O)N1CCC[C@@H](CNc2cc(CC#N)cc[nH+]2)C1 ZINC001157956626 938568440 /nfs/dbraw/zinc/56/84/40/938568440.db2.gz SAMJFZZXMXRVOF-AWEZNQCLSA-N 1 2 272.352 1.818 20 30 CDEDLO Cc1cc(Cl)c(C#N)c(NC[C@H]2C[N@H+](C)CCO2)n1 ZINC001162681216 939114535 /nfs/dbraw/zinc/11/45/35/939114535.db2.gz XIFMRDVGCGJBLB-JTQLQIEISA-N 1 2 280.759 1.658 20 30 CDEDLO Cc1cc(Cl)c(C#N)c(NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC001162681216 939114538 /nfs/dbraw/zinc/11/45/38/939114538.db2.gz XIFMRDVGCGJBLB-JTQLQIEISA-N 1 2 280.759 1.658 20 30 CDEDLO Cc1cc(N(C(N)=[NH2+])c2ccc3[nH]c(C#N)cc3n2)[nH]n1 ZINC001163512561 939280576 /nfs/dbraw/zinc/28/05/76/939280576.db2.gz XTDUOXWXJKVMSW-UHFFFAOYSA-N 1 2 280.295 1.498 20 30 CDEDLO Cc1cc(N(C(N)=[NH2+])c2ccc3[nH]c(C#N)cc3n2)n[nH]1 ZINC001163512561 939280578 /nfs/dbraw/zinc/28/05/78/939280578.db2.gz XTDUOXWXJKVMSW-UHFFFAOYSA-N 1 2 280.295 1.498 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@H](F)Oc1ccnc(Cl)c1 ZINC001164641682 939501203 /nfs/dbraw/zinc/50/12/03/939501203.db2.gz NSTZHXKWOJXHOO-KCJUWKMLSA-N 1 2 270.695 1.164 20 30 CDEDLO COc1cc2ccnc(N3CC[NH2+]C[C@H]3C#N)c2cc1F ZINC001164661320 939503014 /nfs/dbraw/zinc/50/30/14/939503014.db2.gz LGTUEPIXENRGAY-LLVKDONJSA-N 1 2 286.310 1.684 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(F)c(F)c(F)c2)CC1 ZINC001204530013 939770444 /nfs/dbraw/zinc/77/04/44/939770444.db2.gz WWOSVMUMZFOXOQ-UHFFFAOYSA-N 1 2 268.282 1.855 20 30 CDEDLO C#CCC[NH2+]CC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001205348535 939883725 /nfs/dbraw/zinc/88/37/25/939883725.db2.gz DYNDMBJJPKAESL-LLVKDONJSA-N 1 2 294.292 1.738 20 30 CDEDLO C#CCC[NH2+]CC1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001205348535 939883729 /nfs/dbraw/zinc/88/37/29/939883729.db2.gz DYNDMBJJPKAESL-LLVKDONJSA-N 1 2 294.292 1.738 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC(C)C)C1 ZINC001206415992 940034479 /nfs/dbraw/zinc/03/44/79/940034479.db2.gz XYUUYXBFZAMFFE-ZYHUDNBSSA-N 1 2 274.792 1.600 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC(C)C)C1 ZINC001206415992 940034480 /nfs/dbraw/zinc/03/44/80/940034480.db2.gz XYUUYXBFZAMFFE-ZYHUDNBSSA-N 1 2 274.792 1.600 20 30 CDEDLO C=CCN1C(=O)CCC12CC[NH+](CC(=O)OCC)CC2 ZINC001207413817 940191524 /nfs/dbraw/zinc/19/15/24/940191524.db2.gz ZGHCRGHWKNLKND-UHFFFAOYSA-N 1 2 280.368 1.193 20 30 CDEDLO C=CCC[C@@H](C)[NH2+][C@@H](CCc1cn(C)cn1)C(=O)OC ZINC001258723932 945393580 /nfs/dbraw/zinc/39/35/80/945393580.db2.gz JDHAHOPOALSUCX-OCCSQVGLSA-N 1 2 279.384 1.839 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cn3cccc(C)c3n2)CC1 ZINC001209741009 940635188 /nfs/dbraw/zinc/63/51/88/940635188.db2.gz IRHUDMXVMBAANZ-UHFFFAOYSA-N 1 2 268.364 1.394 20 30 CDEDLO N#Cc1ncccc1Nc1ccc(N2CC[C@H](O)C2)[nH+]c1 ZINC001210143130 940666508 /nfs/dbraw/zinc/66/65/08/940666508.db2.gz QMKKPPGJGAKISM-LBPRGKRZSA-N 1 2 281.319 1.663 20 30 CDEDLO N#Cc1ccc([NH+]=C(NO)c2ccccc2N)c(N)c1 ZINC001213364153 940771192 /nfs/dbraw/zinc/77/11/92/940771192.db2.gz YHBPXOSREONDIB-UHFFFAOYSA-N 1 2 267.292 1.780 20 30 CDEDLO CCN(C)c1ccc(Nc2ccncc2C#N)c[nH+]1 ZINC001214010030 940792642 /nfs/dbraw/zinc/79/26/42/940792642.db2.gz XQUWRTVHQYLYPG-UHFFFAOYSA-N 1 2 253.309 1.970 20 30 CDEDLO C=CCCC[N@@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@@H](O)C1 ZINC001219669805 941377429 /nfs/dbraw/zinc/37/74/29/941377429.db2.gz IGKIDFMGANBPQP-KXUCPTDWSA-N 1 2 298.280 1.014 20 30 CDEDLO C=CCCC[N@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@@H](O)C1 ZINC001219669805 941377432 /nfs/dbraw/zinc/37/74/32/941377432.db2.gz IGKIDFMGANBPQP-KXUCPTDWSA-N 1 2 298.280 1.014 20 30 CDEDLO CC[C@H]1OC(C)=C(OCCC[NH+]2CCOCC2)C1=O ZINC001224868082 941800966 /nfs/dbraw/zinc/80/09/66/941800966.db2.gz OWQDYBKGCQFKDY-GFCCVEGCSA-N 1 2 269.341 1.335 20 30 CDEDLO C[C@H](c1ncccn1)[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001226639894 942039358 /nfs/dbraw/zinc/03/93/58/942039358.db2.gz ILIALPLQYKHLNI-NWDGAFQWSA-N 1 2 287.367 1.278 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccnc(OC(F)F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229091337 942417580 /nfs/dbraw/zinc/41/75/80/942417580.db2.gz ZMUDAGTYZHWFDD-NJFCNUMCSA-N 1 2 298.289 1.674 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccnc(OC(F)F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229091337 942417583 /nfs/dbraw/zinc/41/75/83/942417583.db2.gz ZMUDAGTYZHWFDD-NJFCNUMCSA-N 1 2 298.289 1.674 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001316601515 942419783 /nfs/dbraw/zinc/41/97/83/942419783.db2.gz CSKXVKPULJZLBA-RDJZCZTQSA-N 1 2 292.423 1.771 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001316601515 942419788 /nfs/dbraw/zinc/41/97/88/942419788.db2.gz CSKXVKPULJZLBA-RDJZCZTQSA-N 1 2 292.423 1.771 20 30 CDEDLO C#C[C@H](C)Oc1nc(=O)[nH]c(CN2CCCC2=[NH2+])c1Cl ZINC001230092529 942585049 /nfs/dbraw/zinc/58/50/49/942585049.db2.gz WBFVFBKIIVHTEB-QMMMGPOBSA-N 1 2 294.742 1.809 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C=C(C)C ZINC001230681335 942673863 /nfs/dbraw/zinc/67/38/63/942673863.db2.gz DTUYSPULHMLGIX-KGLIPLIRSA-N 1 2 293.411 1.176 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C=C(C)C ZINC001230681335 942673865 /nfs/dbraw/zinc/67/38/65/942673865.db2.gz DTUYSPULHMLGIX-KGLIPLIRSA-N 1 2 293.411 1.176 20 30 CDEDLO CN(C[C@@H]1CC[N@H+]1C/C=C/Cl)C(=O)CSCC#N ZINC001230819386 942707749 /nfs/dbraw/zinc/70/77/49/942707749.db2.gz SWXRHMPMEPGGOP-FWEMWIAWSA-N 1 2 287.816 1.528 20 30 CDEDLO CN(C[C@@H]1CC[N@@H+]1C/C=C/Cl)C(=O)CSCC#N ZINC001230819386 942707747 /nfs/dbraw/zinc/70/77/47/942707747.db2.gz SWXRHMPMEPGGOP-FWEMWIAWSA-N 1 2 287.816 1.528 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(=O)C(C)(C)C ZINC001231255436 942837058 /nfs/dbraw/zinc/83/70/58/942837058.db2.gz MNDFTLHZXPLCBO-LLVKDONJSA-N 1 2 252.358 1.320 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(=O)C(C)(C)C ZINC001231255436 942837064 /nfs/dbraw/zinc/83/70/64/942837064.db2.gz MNDFTLHZXPLCBO-LLVKDONJSA-N 1 2 252.358 1.320 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2Cc3ccnn3CC[C@@H]2CO)c1 ZINC001232678072 943359644 /nfs/dbraw/zinc/35/96/44/943359644.db2.gz PEOMNYDEEBOPKS-OAHLLOKOSA-N 1 2 298.346 1.227 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2Cc3ccnn3CC[C@@H]2CO)c1 ZINC001232678072 943359650 /nfs/dbraw/zinc/35/96/50/943359650.db2.gz PEOMNYDEEBOPKS-OAHLLOKOSA-N 1 2 298.346 1.227 20 30 CDEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001233045594 943473551 /nfs/dbraw/zinc/47/35/51/943473551.db2.gz XUVGVYZPSCUULI-MRXNPFEDSA-N 1 2 294.362 1.531 20 30 CDEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001233045594 943473554 /nfs/dbraw/zinc/47/35/54/943473554.db2.gz XUVGVYZPSCUULI-MRXNPFEDSA-N 1 2 294.362 1.531 20 30 CDEDLO CS(=O)(=O)Nc1ccc(C[N@@H+]2CC[C@@H](C#N)C2)cc1 ZINC001233267849 943525320 /nfs/dbraw/zinc/52/53/20/943525320.db2.gz JWIIMPWYKGJNLJ-LBPRGKRZSA-N 1 2 279.365 1.404 20 30 CDEDLO CS(=O)(=O)Nc1ccc(C[N@H+]2CC[C@@H](C#N)C2)cc1 ZINC001233267849 943525324 /nfs/dbraw/zinc/52/53/24/943525324.db2.gz JWIIMPWYKGJNLJ-LBPRGKRZSA-N 1 2 279.365 1.404 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@@](F)(CO)C2)c(O)c1 ZINC001233383256 943569684 /nfs/dbraw/zinc/56/96/84/943569684.db2.gz BVAKDVVDJLVMSJ-ZDUSSCGKSA-N 1 2 250.273 1.170 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)c(O)c1 ZINC001233383256 943569685 /nfs/dbraw/zinc/56/96/85/943569685.db2.gz BVAKDVVDJLVMSJ-ZDUSSCGKSA-N 1 2 250.273 1.170 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cncs1 ZINC001233948495 943697774 /nfs/dbraw/zinc/69/77/74/943697774.db2.gz WLXKWMILWCTKRQ-CYBMUJFWSA-N 1 2 291.420 1.979 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cncs1 ZINC001233948495 943697777 /nfs/dbraw/zinc/69/77/77/943697777.db2.gz WLXKWMILWCTKRQ-CYBMUJFWSA-N 1 2 291.420 1.979 20 30 CDEDLO Cc1ncoc1C[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234159990 943758731 /nfs/dbraw/zinc/75/87/31/943758731.db2.gz FGJKZQHJLHDDFA-CQSZACIVSA-N 1 2 289.379 1.675 20 30 CDEDLO Cc1ncoc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234159990 943758736 /nfs/dbraw/zinc/75/87/36/943758736.db2.gz FGJKZQHJLHDDFA-CQSZACIVSA-N 1 2 289.379 1.675 20 30 CDEDLO Cc1ncoc1C[N@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234186063 943768770 /nfs/dbraw/zinc/76/87/70/943768770.db2.gz CONNTEJWWBEHRZ-AWEZNQCLSA-N 1 2 287.363 1.429 20 30 CDEDLO Cc1ncoc1C[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234186063 943768773 /nfs/dbraw/zinc/76/87/73/943768773.db2.gz CONNTEJWWBEHRZ-AWEZNQCLSA-N 1 2 287.363 1.429 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nccc(Cl)n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234537707 943882244 /nfs/dbraw/zinc/88/22/44/943882244.db2.gz LYJHQQRVLKYWOJ-ZTEPNEHBSA-N 1 2 267.716 1.121 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nccc(Cl)n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234537707 943882250 /nfs/dbraw/zinc/88/22/50/943882250.db2.gz LYJHQQRVLKYWOJ-ZTEPNEHBSA-N 1 2 267.716 1.121 20 30 CDEDLO C#CCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2CCF)CCC1 ZINC001235210426 944093595 /nfs/dbraw/zinc/09/35/95/944093595.db2.gz SGUJKFGDQYCDIB-CYBMUJFWSA-N 1 2 266.360 1.682 20 30 CDEDLO C#CCC1(C(=O)N(C)C[C@H]2CC[N@H+]2CCF)CCC1 ZINC001235210426 944093603 /nfs/dbraw/zinc/09/36/03/944093603.db2.gz SGUJKFGDQYCDIB-CYBMUJFWSA-N 1 2 266.360 1.682 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1nnc(CC)o1 ZINC001235436598 944156625 /nfs/dbraw/zinc/15/66/25/944156625.db2.gz NWFJIEPTEKDTHD-UHFFFAOYSA-N 1 2 280.372 1.536 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1nnc(CC)o1 ZINC001235436598 944156627 /nfs/dbraw/zinc/15/66/27/944156627.db2.gz NWFJIEPTEKDTHD-UHFFFAOYSA-N 1 2 280.372 1.536 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1cnns1 ZINC001235451050 944160317 /nfs/dbraw/zinc/16/03/17/944160317.db2.gz AZQJJDSCRYGXQL-UHFFFAOYSA-N 1 2 268.386 1.442 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1cnns1 ZINC001235451050 944160322 /nfs/dbraw/zinc/16/03/22/944160322.db2.gz AZQJJDSCRYGXQL-UHFFFAOYSA-N 1 2 268.386 1.442 20 30 CDEDLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237472942 944801756 /nfs/dbraw/zinc/80/17/56/944801756.db2.gz WXYJEXRNSQFOBX-GFCCVEGCSA-N 1 2 296.374 1.712 20 30 CDEDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237472942 944801758 /nfs/dbraw/zinc/80/17/58/944801758.db2.gz WXYJEXRNSQFOBX-GFCCVEGCSA-N 1 2 296.374 1.712 20 30 CDEDLO C=CCN1CC[NH+](Cc2ccn3nccc3c2)CC1 ZINC001237540981 944830842 /nfs/dbraw/zinc/83/08/42/944830842.db2.gz UFUOSDUPBQUIDR-UHFFFAOYSA-N 1 2 256.353 1.638 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)Nc1cccc(CC#N)c1 ZINC001476610311 971137355 /nfs/dbraw/zinc/13/73/55/971137355.db2.gz JLIUAZWGSXHHFT-UHFFFAOYSA-N 1 2 269.308 1.808 20 30 CDEDLO C=CCS(=O)(=O)N1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC001259927339 945712137 /nfs/dbraw/zinc/71/21/37/945712137.db2.gz ZUYUAVKFDVDQHT-AWEZNQCLSA-N 1 2 280.393 1.491 20 30 CDEDLO C=CCS(=O)(=O)N1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC001259927339 945712150 /nfs/dbraw/zinc/71/21/50/945712150.db2.gz ZUYUAVKFDVDQHT-AWEZNQCLSA-N 1 2 280.393 1.491 20 30 CDEDLO CC[C@@H](C(=O)NC1=NO[C@H](C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001362431518 971265413 /nfs/dbraw/zinc/26/54/13/971265413.db2.gz WVDZPKIZHGRLPL-UTUOFQBUSA-N 1 2 283.372 1.114 20 30 CDEDLO CC[C@@H](C(=O)NC1=NO[C@H](C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC001362431518 971265419 /nfs/dbraw/zinc/26/54/19/971265419.db2.gz WVDZPKIZHGRLPL-UTUOFQBUSA-N 1 2 283.372 1.114 20 30 CDEDLO Cc1cc(C#N)nc(-c2ccc(C[NH+]3CC(O)C3)cc2)n1 ZINC001243638187 947167142 /nfs/dbraw/zinc/16/71/42/947167142.db2.gz WTMIVDQPIAKUOT-UHFFFAOYSA-N 1 2 280.331 1.500 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CCc2nnc(Cn3cccc3)n2CC1 ZINC001255168010 947760765 /nfs/dbraw/zinc/76/07/65/947760765.db2.gz LYKXAHCSRPVJDF-CQSZACIVSA-N 1 2 298.394 1.678 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CCc2nnc(Cn3cccc3)n2CC1 ZINC001255168010 947760770 /nfs/dbraw/zinc/76/07/70/947760770.db2.gz LYKXAHCSRPVJDF-CQSZACIVSA-N 1 2 298.394 1.678 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+]C1CCC(C(=O)OC)CC1 ZINC001257853581 948641148 /nfs/dbraw/zinc/64/11/48/948641148.db2.gz MYNPKTDBHTVFJD-ILDUYXDCSA-N 1 2 289.397 1.169 20 30 CDEDLO C[N@H+](Cc1ccno1)Cc1cnn2ccc(C#N)cc12 ZINC001249118413 949391037 /nfs/dbraw/zinc/39/10/37/949391037.db2.gz FNHRJDPWPODWLJ-UHFFFAOYSA-N 1 2 267.292 1.826 20 30 CDEDLO C[N@@H+](Cc1ccno1)Cc1cnn2ccc(C#N)cc12 ZINC001249118413 949391055 /nfs/dbraw/zinc/39/10/55/949391055.db2.gz FNHRJDPWPODWLJ-UHFFFAOYSA-N 1 2 267.292 1.826 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c1F ZINC001249671780 949746930 /nfs/dbraw/zinc/74/69/30/949746930.db2.gz DZYOBJRBGGHSNY-VXGBXAGGSA-N 1 2 252.264 1.602 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC[C@@H](F)[C@H](O)C2)c1F ZINC001249671780 949746945 /nfs/dbraw/zinc/74/69/45/949746945.db2.gz DZYOBJRBGGHSNY-VXGBXAGGSA-N 1 2 252.264 1.602 20 30 CDEDLO N#Cc1cccc(Cc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC001250050435 949970237 /nfs/dbraw/zinc/97/02/37/949970237.db2.gz VNDVUFNOPINENR-UHFFFAOYSA-N 1 2 296.374 1.678 20 30 CDEDLO C#CCOC[C@H](O)CNc1c(C)cc[nH+]c1C(C)C ZINC001251832723 950855640 /nfs/dbraw/zinc/85/56/40/950855640.db2.gz QFBUWRHLKMWNRY-CYBMUJFWSA-N 1 2 262.353 1.936 20 30 CDEDLO C#CCOC[C@@H](O)C[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC001251854599 950877242 /nfs/dbraw/zinc/87/72/42/950877242.db2.gz HYWQREVJCZPWFN-AWEZNQCLSA-N 1 2 265.740 1.666 20 30 CDEDLO C#CCOC[C@@H](O)C[N@H+]1Cc2ccc(Cl)cc2C1 ZINC001251854599 950877251 /nfs/dbraw/zinc/87/72/51/950877251.db2.gz HYWQREVJCZPWFN-AWEZNQCLSA-N 1 2 265.740 1.666 20 30 CDEDLO N#C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC001251929924 950966954 /nfs/dbraw/zinc/96/69/54/950966954.db2.gz MTOLNUOTJJREBJ-YPMHNXCESA-N 1 2 264.300 1.411 20 30 CDEDLO N#C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC001251929924 950966963 /nfs/dbraw/zinc/96/69/63/950966963.db2.gz MTOLNUOTJJREBJ-YPMHNXCESA-N 1 2 264.300 1.411 20 30 CDEDLO C=CCOC[C@H](O)C[NH+]1CC(OCc2ccccc2)C1 ZINC001252466348 951314165 /nfs/dbraw/zinc/31/41/65/951314165.db2.gz OSLMJPQAZDTSQQ-OAHLLOKOSA-N 1 2 277.364 1.451 20 30 CDEDLO C=C[C@](C)(O)C[NH2+][C@@H](CCSC)C(=O)OC(C)C ZINC001252580027 951473691 /nfs/dbraw/zinc/47/36/91/951473691.db2.gz PIRUFEQYVPSYFA-AAEUAGOBSA-N 1 2 275.414 1.586 20 30 CDEDLO COc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C#N)C2)cc1 ZINC001252719005 951612718 /nfs/dbraw/zinc/61/27/18/951612718.db2.gz TVMSQJQIGWUAEE-QWHCGFSZSA-N 1 2 276.336 1.280 20 30 CDEDLO COc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](C#N)C2)cc1 ZINC001252719005 951612728 /nfs/dbraw/zinc/61/27/28/951612728.db2.gz TVMSQJQIGWUAEE-QWHCGFSZSA-N 1 2 276.336 1.280 20 30 CDEDLO COc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001252889626 951698068 /nfs/dbraw/zinc/69/80/68/951698068.db2.gz APNCSGFKWGJTCJ-BBRMVZONSA-N 1 2 290.363 1.670 20 30 CDEDLO COc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001252889626 951698076 /nfs/dbraw/zinc/69/80/76/951698076.db2.gz APNCSGFKWGJTCJ-BBRMVZONSA-N 1 2 290.363 1.670 20 30 CDEDLO C#CCO[C@H](C)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001324413392 953378630 /nfs/dbraw/zinc/37/86/30/953378630.db2.gz OXIZISAZODUUSR-KGLIPLIRSA-N 1 2 289.379 1.240 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1ccoc1 ZINC001422157201 955797891 /nfs/dbraw/zinc/79/78/91/955797891.db2.gz SLOYFKFTKVCBQF-UHFFFAOYSA-N 1 2 270.760 1.965 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1ccoc1 ZINC001422157201 955797897 /nfs/dbraw/zinc/79/78/97/955797897.db2.gz SLOYFKFTKVCBQF-UHFFFAOYSA-N 1 2 270.760 1.965 20 30 CDEDLO C=C[C@H](COC)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001329917956 956177547 /nfs/dbraw/zinc/17/75/47/956177547.db2.gz IYIJCTGSOLNBSO-GFCCVEGCSA-N 1 2 259.309 1.574 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cccc(=O)[nH]1 ZINC001422790512 956354423 /nfs/dbraw/zinc/35/44/23/956354423.db2.gz DLSAFSMAQIHJNL-JTQLQIEISA-N 1 2 283.759 1.590 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cccc(=O)[nH]1 ZINC001422790512 956354434 /nfs/dbraw/zinc/35/44/34/956354434.db2.gz DLSAFSMAQIHJNL-JTQLQIEISA-N 1 2 283.759 1.590 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCc1cnn(C)c1C ZINC001366531764 956930822 /nfs/dbraw/zinc/93/08/22/956930822.db2.gz DPSYMJLFDHEAJP-UHFFFAOYSA-N 1 2 298.818 1.462 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCc1cnn(C)c1C ZINC001366531764 956930832 /nfs/dbraw/zinc/93/08/32/956930832.db2.gz DPSYMJLFDHEAJP-UHFFFAOYSA-N 1 2 298.818 1.462 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CCCOC1 ZINC001366607661 957031270 /nfs/dbraw/zinc/03/12/70/957031270.db2.gz BVRITZODASBONA-GFCCVEGCSA-N 1 2 274.792 1.604 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CCCOC1 ZINC001366607661 957031280 /nfs/dbraw/zinc/03/12/80/957031280.db2.gz BVRITZODASBONA-GFCCVEGCSA-N 1 2 274.792 1.604 20 30 CDEDLO CCCC(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001494516924 972245837 /nfs/dbraw/zinc/24/58/37/972245837.db2.gz GWGCZNBPGSYHNT-UHFFFAOYSA-N 1 2 271.364 1.906 20 30 CDEDLO CC(C)OC(=O)C1CC[NH+](CC2(C#N)CC2)CC1 ZINC001332366254 957534986 /nfs/dbraw/zinc/53/49/86/957534986.db2.gz VYUYBHURCXGDFW-UHFFFAOYSA-N 1 2 250.342 1.954 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC001334745533 959325327 /nfs/dbraw/zinc/32/53/27/959325327.db2.gz HVZZMGAKDQJNBX-STQMWFEESA-N 1 2 254.374 1.426 20 30 CDEDLO N#CC[C@@H](O)C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC001335626641 959939718 /nfs/dbraw/zinc/93/97/18/959939718.db2.gz GQCNRVXPOKZBRS-CABCVRRESA-N 1 2 260.337 1.204 20 30 CDEDLO N#CC[C@@H](O)C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC001335626641 959939725 /nfs/dbraw/zinc/93/97/25/959939725.db2.gz GQCNRVXPOKZBRS-CABCVRRESA-N 1 2 260.337 1.204 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cn(C)cn1 ZINC001420559523 963060880 /nfs/dbraw/zinc/06/08/80/963060880.db2.gz WAFZHTAHKMGIAB-JTQLQIEISA-N 1 2 270.764 1.223 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cn(C)cn1 ZINC001420559523 963060891 /nfs/dbraw/zinc/06/08/91/963060891.db2.gz WAFZHTAHKMGIAB-JTQLQIEISA-N 1 2 270.764 1.223 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)C(C)C)n2CC)CC1 ZINC001340850990 963155186 /nfs/dbraw/zinc/15/51/86/963155186.db2.gz REQGZZFFOAIHKF-AWEZNQCLSA-N 1 2 289.427 1.813 20 30 CDEDLO C#C[C@H](C)NC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001341684072 963509583 /nfs/dbraw/zinc/50/95/83/963509583.db2.gz LCEFBLRLKZKDKC-NSHDSACASA-N 1 2 260.341 1.331 20 30 CDEDLO C=CCC[C@@H]1CCCN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC001341780356 963539503 /nfs/dbraw/zinc/53/95/03/963539503.db2.gz OPEFYKGALJRVCU-LLVKDONJSA-N 1 2 274.368 1.626 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)N[C@H](C#N)C1CCCC1 ZINC001348120760 965830025 /nfs/dbraw/zinc/83/00/25/965830025.db2.gz NWVJIDHWFOEFOR-GFCCVEGCSA-N 1 2 260.341 1.551 20 30 CDEDLO CCNc1ccc(C#N)cc1NC(=O)Cc1[nH]cc[nH+]1 ZINC001446102868 966448019 /nfs/dbraw/zinc/44/80/19/966448019.db2.gz QIDYRQMCWARMSZ-UHFFFAOYSA-N 1 2 269.308 1.894 20 30 CDEDLO Cc1nc(N(C)CCNC(=O)C#CC2CC2)c(C)c(C)[nH+]1 ZINC001100061306 967339460 /nfs/dbraw/zinc/33/94/60/967339460.db2.gz XLTXRUYAUNVSRM-UHFFFAOYSA-N 1 2 286.379 1.368 20 30 CDEDLO CCNc1cc(CNC(=O)N2CC[C@](C)(C#N)C2)cc[nH+]1 ZINC001548660575 967703387 /nfs/dbraw/zinc/70/33/87/967703387.db2.gz YUKHXZZBGVWFHY-OAHLLOKOSA-N 1 2 287.367 1.959 20 30 CDEDLO COc1ccc(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1C#N ZINC000847599035 967736871 /nfs/dbraw/zinc/73/68/71/967736871.db2.gz QOGPFESKHGDRPE-NSHDSACASA-N 1 2 298.346 1.785 20 30 CDEDLO COc1ccc(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1C#N ZINC000847599035 967736877 /nfs/dbraw/zinc/73/68/77/967736877.db2.gz QOGPFESKHGDRPE-NSHDSACASA-N 1 2 298.346 1.785 20 30 CDEDLO CC[C@H](C(=O)N1CC(C)(C#N)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001467644119 970084675 /nfs/dbraw/zinc/08/46/75/970084675.db2.gz XHLXUVQETZJCLM-CHWSQXEVSA-N 1 2 279.384 1.248 20 30 CDEDLO CC[C@H](C(=O)N1CC(C)(C#N)C1)[N@H+]1CCO[C@H](CC)C1 ZINC001467644119 970084680 /nfs/dbraw/zinc/08/46/80/970084680.db2.gz XHLXUVQETZJCLM-CHWSQXEVSA-N 1 2 279.384 1.248 20 30 CDEDLO C=C(CC)C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC001521558776 970318346 /nfs/dbraw/zinc/31/83/46/970318346.db2.gz GHHBVYOGXMBMFB-UHFFFAOYSA-N 1 2 287.367 1.612 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1nn(C)cc1C)C1CC1 ZINC001372805681 973151083 /nfs/dbraw/zinc/15/10/83/973151083.db2.gz WFEBQPKNGNRXER-UHFFFAOYSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1nn(C)cc1C)C1CC1 ZINC001372805681 973151089 /nfs/dbraw/zinc/15/10/89/973151089.db2.gz WFEBQPKNGNRXER-UHFFFAOYSA-N 1 2 296.802 1.675 20 30 CDEDLO CCC(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001374449153 973949970 /nfs/dbraw/zinc/94/99/70/973949970.db2.gz AIULAIWVEFXJSB-UHFFFAOYSA-N 1 2 277.343 1.998 20 30 CDEDLO CCC(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001374449153 973949978 /nfs/dbraw/zinc/94/99/78/973949978.db2.gz AIULAIWVEFXJSB-UHFFFAOYSA-N 1 2 277.343 1.998 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(OC)n1 ZINC001375126345 974268147 /nfs/dbraw/zinc/26/81/47/974268147.db2.gz AJPUTANTLMYIRV-LLVKDONJSA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cccc(OC)n1 ZINC001375126345 974268155 /nfs/dbraw/zinc/26/81/55/974268155.db2.gz AJPUTANTLMYIRV-LLVKDONJSA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1c[nH]cn1 ZINC001377351909 974985061 /nfs/dbraw/zinc/98/50/61/974985061.db2.gz VQAPSNIUYVDHBB-UHFFFAOYSA-N 1 2 270.764 1.143 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1c[nH]cn1 ZINC001377351909 974985066 /nfs/dbraw/zinc/98/50/66/974985066.db2.gz VQAPSNIUYVDHBB-UHFFFAOYSA-N 1 2 270.764 1.143 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCc1ccncn1 ZINC001505928634 975047999 /nfs/dbraw/zinc/04/79/99/975047999.db2.gz KIHUOJKZKAXGDE-LBPRGKRZSA-N 1 2 296.802 1.598 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCc1ccncn1 ZINC001505928634 975048004 /nfs/dbraw/zinc/04/80/04/975048004.db2.gz KIHUOJKZKAXGDE-LBPRGKRZSA-N 1 2 296.802 1.598 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cn(CC)nn1 ZINC001506029703 975093741 /nfs/dbraw/zinc/09/37/41/975093741.db2.gz JXJQNGSKWWGABX-SNVBAGLBSA-N 1 2 285.779 1.101 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cn(CC)nn1 ZINC001506029703 975093746 /nfs/dbraw/zinc/09/37/46/975093746.db2.gz JXJQNGSKWWGABX-SNVBAGLBSA-N 1 2 285.779 1.101 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1nnc[nH]1 ZINC001377695195 975113907 /nfs/dbraw/zinc/11/39/07/975113907.db2.gz YZKWXKGRWWMBPC-NSHDSACASA-N 1 2 297.790 1.023 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1nnc[nH]1 ZINC001377695195 975113909 /nfs/dbraw/zinc/11/39/09/975113909.db2.gz YZKWXKGRWWMBPC-NSHDSACASA-N 1 2 297.790 1.023 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCOC)[C@@H]1C ZINC001507367762 975434475 /nfs/dbraw/zinc/43/44/75/975434475.db2.gz OFXXVQWAUWRFLS-RYUDHWBXSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCOC)[C@@H]1C ZINC001507367762 975434479 /nfs/dbraw/zinc/43/44/79/975434479.db2.gz OFXXVQWAUWRFLS-RYUDHWBXSA-N 1 2 274.792 1.745 20 30 CDEDLO C[C@H](c1ccccc1)[NH+]1CC(O)(CNC(=O)[C@@H](C)C#N)C1 ZINC001380581768 976463339 /nfs/dbraw/zinc/46/33/39/976463339.db2.gz PLPJCKLMRKBJNS-QWHCGFSZSA-N 1 2 287.363 1.070 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CCc1ccon1 ZINC001390936224 976610818 /nfs/dbraw/zinc/61/08/18/976610818.db2.gz IKLYLSROXNFDRE-UHFFFAOYSA-N 1 2 285.775 1.798 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CCc1ccon1 ZINC001390936224 976610824 /nfs/dbraw/zinc/61/08/24/976610824.db2.gz IKLYLSROXNFDRE-UHFFFAOYSA-N 1 2 285.775 1.798 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1nccc1C ZINC001403178531 976788143 /nfs/dbraw/zinc/78/81/43/976788143.db2.gz AWZGZCOJAOYTEI-LBPRGKRZSA-N 1 2 284.791 1.381 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cn1nccc1C ZINC001403178531 976788153 /nfs/dbraw/zinc/78/81/53/976788153.db2.gz AWZGZCOJAOYTEI-LBPRGKRZSA-N 1 2 284.791 1.381 20 30 CDEDLO COCC(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001400639233 977120578 /nfs/dbraw/zinc/12/05/78/977120578.db2.gz PYFVQLKPCKJFBU-CYBMUJFWSA-N 1 2 291.326 1.034 20 30 CDEDLO COCC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001400639233 977120584 /nfs/dbraw/zinc/12/05/84/977120584.db2.gz PYFVQLKPCKJFBU-CYBMUJFWSA-N 1 2 291.326 1.034 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccc2n[nH]cc2c1 ZINC001403664217 977134675 /nfs/dbraw/zinc/13/46/75/977134675.db2.gz NBVZBVDHGJWKDK-UHFFFAOYSA-N 1 2 292.770 1.977 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccc2n[nH]cc2c1 ZINC001403664217 977134683 /nfs/dbraw/zinc/13/46/83/977134683.db2.gz NBVZBVDHGJWKDK-UHFFFAOYSA-N 1 2 292.770 1.977 20 30 CDEDLO C=CC[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001588731316 984008689 /nfs/dbraw/zinc/00/86/89/984008689.db2.gz HKEIPOFOGURCFX-OLZOCXBDSA-N 1 2 262.309 1.564 20 30 CDEDLO C=CC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001588731316 984008699 /nfs/dbraw/zinc/00/86/99/984008699.db2.gz HKEIPOFOGURCFX-OLZOCXBDSA-N 1 2 262.309 1.564 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001132650884 1163425125 /nfs/dbraw/zinc/42/51/25/1163425125.db2.gz PUOXQFAECXVARR-LLVKDONJSA-N 1 2 292.383 1.755 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[NH2+]Cc2cnsn2)C1 ZINC001133564732 1163788263 /nfs/dbraw/zinc/78/82/63/1163788263.db2.gz WONIECHJYBUZBY-UHFFFAOYSA-N 1 2 266.370 1.100 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2c[nH]nn2)C1 ZINC001575049607 1171096202 /nfs/dbraw/zinc/09/62/02/1171096202.db2.gz PHHZOXZLTUWYPK-QWHCGFSZSA-N 1 2 291.399 1.536 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cn[nH]n2)C1 ZINC001575049607 1171096210 /nfs/dbraw/zinc/09/62/10/1171096210.db2.gz PHHZOXZLTUWYPK-QWHCGFSZSA-N 1 2 291.399 1.536 20 30 CDEDLO CC[C@](C)([NH2+]C[C@@H](O)CC1(C#N)CC1)c1c[nH]nn1 ZINC001576189678 1171354563 /nfs/dbraw/zinc/35/45/63/1171354563.db2.gz DYVXQHUNMVIOOC-JQWIXIFHSA-N 1 2 263.345 1.074 20 30 CDEDLO N#Cc1cc(O)cc(C(=O)NCc2cn3ccccc3[nH+]2)c1 ZINC000589162611 342498559 /nfs/dbraw/zinc/49/85/59/342498559.db2.gz QGNBSPMRBOMTTP-UHFFFAOYSA-N 1 2 292.298 1.842 20 30 CDEDLO C[C@@H](CNC(=O)c1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000046269472 342054476 /nfs/dbraw/zinc/05/44/76/342054476.db2.gz LYEQRUKFVUOYOO-LBPRGKRZSA-N 1 2 273.336 1.009 20 30 CDEDLO CCn1nnc(C)c1C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000590709396 342585290 /nfs/dbraw/zinc/58/52/90/342585290.db2.gz RBLGPSUMXBRVHK-AWEZNQCLSA-N 1 2 290.415 1.272 20 30 CDEDLO CCc1nnc(N(C)Cc2[nH+]ccn2C)c(C#N)c1CC ZINC000124966503 187163332 /nfs/dbraw/zinc/16/33/32/187163332.db2.gz VPVXQKAOZUFEOK-UHFFFAOYSA-N 1 2 284.367 1.843 20 30 CDEDLO CCC#C[C@@H](C)[N@@H+]1CCc2[nH]nc(C(=O)OC)c2C1 ZINC000590760313 342592265 /nfs/dbraw/zinc/59/22/65/342592265.db2.gz JYPVNCIHTZUQRS-SNVBAGLBSA-N 1 2 261.325 1.356 20 30 CDEDLO CCC#C[C@@H](C)[N@H+]1CCc2[nH]nc(C(=O)OC)c2C1 ZINC000590760313 342592266 /nfs/dbraw/zinc/59/22/66/342592266.db2.gz JYPVNCIHTZUQRS-SNVBAGLBSA-N 1 2 261.325 1.356 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000590755485 342588070 /nfs/dbraw/zinc/58/80/70/342588070.db2.gz FHYQRVHGTMLBPE-GMXVVIOVSA-N 1 2 255.337 1.473 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CC[C@H](F)C1 ZINC000590755485 342588071 /nfs/dbraw/zinc/58/80/71/342588071.db2.gz FHYQRVHGTMLBPE-GMXVVIOVSA-N 1 2 255.337 1.473 20 30 CDEDLO COC(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000047510832 342101590 /nfs/dbraw/zinc/10/15/90/342101590.db2.gz XYUDENXICFDCLQ-UHFFFAOYSA-N 1 2 273.336 1.243 20 30 CDEDLO COC(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000047510832 342101591 /nfs/dbraw/zinc/10/15/91/342101591.db2.gz XYUDENXICFDCLQ-UHFFFAOYSA-N 1 2 273.336 1.243 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccco3)CC2)nc1 ZINC000609344270 342103519 /nfs/dbraw/zinc/10/35/19/342103519.db2.gz RFGNWHAEGOBIAQ-UHFFFAOYSA-N 1 2 296.330 1.504 20 30 CDEDLO N#CC1CCC(CNc2[nH+]cnc3c2OCCN3)CC1 ZINC000591160019 342620314 /nfs/dbraw/zinc/62/03/14/342620314.db2.gz BBUWWYSSBRVEBI-UHFFFAOYSA-N 1 2 273.340 1.445 20 30 CDEDLO N#CC1CCC(CNc2nc[nH+]c3c2OCCN3)CC1 ZINC000591160019 342620315 /nfs/dbraw/zinc/62/03/15/342620315.db2.gz BBUWWYSSBRVEBI-UHFFFAOYSA-N 1 2 273.340 1.445 20 30 CDEDLO Cc1nnc2n1C[C@H](CNc1cc(C)[nH+]cc1C#N)CC2 ZINC000591820159 342647446 /nfs/dbraw/zinc/64/74/46/342647446.db2.gz GFAKDRLWMPMIFH-LBPRGKRZSA-N 1 2 282.351 1.258 20 30 CDEDLO COC(=O)c1sccc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592152625 342669358 /nfs/dbraw/zinc/66/93/58/342669358.db2.gz YYQZHFDDYCYVMV-CYBMUJFWSA-N 1 2 280.349 1.385 20 30 CDEDLO COC(=O)c1sccc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592152625 342669359 /nfs/dbraw/zinc/66/93/59/342669359.db2.gz YYQZHFDDYCYVMV-CYBMUJFWSA-N 1 2 280.349 1.385 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N(CC)CCC#N)[C@H](C)CO1 ZINC000593065174 342761850 /nfs/dbraw/zinc/76/18/50/342761850.db2.gz YTTVHXGHYFCGCP-CHWSQXEVSA-N 1 2 267.373 1.248 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)CCC#N)[C@H](C)CO1 ZINC000593065174 342761851 /nfs/dbraw/zinc/76/18/51/342761851.db2.gz YTTVHXGHYFCGCP-CHWSQXEVSA-N 1 2 267.373 1.248 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(C2CC2)no1 ZINC000593153152 342773798 /nfs/dbraw/zinc/77/37/98/342773798.db2.gz LDASPNJURZZHOL-CYBMUJFWSA-N 1 2 262.313 1.126 20 30 CDEDLO Cc1ccccc1OCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593156204 342774481 /nfs/dbraw/zinc/77/44/81/342774481.db2.gz LSMYLIRMXYZZOH-HNNXBMFYSA-N 1 2 275.352 1.334 20 30 CDEDLO CC[C@@H](C#N)C(=O)NCCCCNc1cccc[nH+]1 ZINC000593450044 342801893 /nfs/dbraw/zinc/80/18/93/342801893.db2.gz FFRPBAGAFMPPQY-LBPRGKRZSA-N 1 2 260.341 1.940 20 30 CDEDLO C[C@H]1COC(C)(C)C[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000347125429 300333446 /nfs/dbraw/zinc/33/34/46/300333446.db2.gz QXAUIKMTHGXGTE-NSHDSACASA-N 1 2 265.357 1.048 20 30 CDEDLO C[C@H]1COC(C)(C)C[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000347125429 300333448 /nfs/dbraw/zinc/33/34/48/300333448.db2.gz QXAUIKMTHGXGTE-NSHDSACASA-N 1 2 265.357 1.048 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1cccc(OC)c1 ZINC000594009576 342863201 /nfs/dbraw/zinc/86/32/01/342863201.db2.gz DMRMVJWSESKBQH-CYBMUJFWSA-N 1 2 275.352 1.593 20 30 CDEDLO N#Cc1ccc(CN2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000593968307 342858413 /nfs/dbraw/zinc/85/84/13/342858413.db2.gz QNMKLILQDJRNLJ-LBPRGKRZSA-N 1 2 277.393 1.526 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN([C@H]3CCOC3)CC2)s1 ZINC000593968307 342858414 /nfs/dbraw/zinc/85/84/14/342858414.db2.gz QNMKLILQDJRNLJ-LBPRGKRZSA-N 1 2 277.393 1.526 20 30 CDEDLO N#Cc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3C#N)C2=O)cc1 ZINC000333186121 539051412 /nfs/dbraw/zinc/05/14/12/539051412.db2.gz SYGAQJYVWCPPRM-BMFZPTHFSA-N 1 2 294.358 1.945 20 30 CDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCn1cc[nH+]c1 ZINC000593948787 342859967 /nfs/dbraw/zinc/85/99/67/342859967.db2.gz QAXDQACZWIWROY-CYBMUJFWSA-N 1 2 282.347 1.750 20 30 CDEDLO N#CC[C@@H]1CCCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000594684682 342940757 /nfs/dbraw/zinc/94/07/57/342940757.db2.gz AZBZWMMHQKJATN-LBPRGKRZSA-N 1 2 261.329 1.218 20 30 CDEDLO CC[C@@H](NC(=O)Cc1noc(C)c1C#N)c1[nH]cc[nH+]1 ZINC000442811218 529603613 /nfs/dbraw/zinc/60/36/13/529603613.db2.gz ODGWHXGZTQERKG-SNVBAGLBSA-N 1 2 273.296 1.388 20 30 CDEDLO CC[N@H+](Cc1ccc(C#N)s1)[C@H](C)CS(C)(=O)=O ZINC000126235719 187225657 /nfs/dbraw/zinc/22/56/57/187225657.db2.gz VERWFUHGRWWWAX-SNVBAGLBSA-N 1 2 286.422 1.875 20 30 CDEDLO CC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)CS(C)(=O)=O ZINC000126235719 187225658 /nfs/dbraw/zinc/22/56/58/187225658.db2.gz VERWFUHGRWWWAX-SNVBAGLBSA-N 1 2 286.422 1.875 20 30 CDEDLO CNC(=O)[C@]1(C)CC[N@@H+]([C@H](C#N)c2ccccc2)C1 ZINC000595474497 343063882 /nfs/dbraw/zinc/06/38/82/343063882.db2.gz LYFNVWFYORVOJY-UKRRQHHQSA-N 1 2 257.337 1.709 20 30 CDEDLO CNC(=O)[C@]1(C)CC[N@H+]([C@H](C#N)c2ccccc2)C1 ZINC000595474497 343063885 /nfs/dbraw/zinc/06/38/85/343063885.db2.gz LYFNVWFYORVOJY-UKRRQHHQSA-N 1 2 257.337 1.709 20 30 CDEDLO C=CCOCCCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000079577796 342346130 /nfs/dbraw/zinc/34/61/30/342346130.db2.gz DCFFBQDMXPZWSH-GFCCVEGCSA-N 1 2 251.330 1.371 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(C#N)cc1 ZINC000048982484 342351370 /nfs/dbraw/zinc/35/13/70/342351370.db2.gz BNXAJQRPUHPPGH-LBPRGKRZSA-N 1 2 283.335 1.643 20 30 CDEDLO CC[N@H+](CCC#N)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000081040870 342363414 /nfs/dbraw/zinc/36/34/14/342363414.db2.gz IVKARWUOKXNJOY-ZDUSSCGKSA-N 1 2 293.323 1.570 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000081040870 342363415 /nfs/dbraw/zinc/36/34/15/342363415.db2.gz IVKARWUOKXNJOY-ZDUSSCGKSA-N 1 2 293.323 1.570 20 30 CDEDLO Cc1ccc(C#N)nc1N(C)CCCn1cc[nH+]c1 ZINC000596165425 343257122 /nfs/dbraw/zinc/25/71/22/343257122.db2.gz KVBMBUZWPWSASM-UHFFFAOYSA-N 1 2 255.325 1.985 20 30 CDEDLO N#Cc1cnc(NCc2ccc[nH+]c2N2CCCC2)cn1 ZINC000596356850 343309869 /nfs/dbraw/zinc/30/98/69/343309869.db2.gz LSKKTKNLFIOVMM-UHFFFAOYSA-N 1 2 280.335 1.956 20 30 CDEDLO C[C@@H]1CSCCN1C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330197641 362176732 /nfs/dbraw/zinc/17/67/32/362176732.db2.gz SBZKMQSXKXIPAZ-MNOVXSKESA-N 1 2 280.397 1.549 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2ccccc2OC)CC1 ZINC000143711191 342448285 /nfs/dbraw/zinc/44/82/85/342448285.db2.gz QRSPSSTYUQCVTN-UHFFFAOYSA-N 1 2 288.391 1.958 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@]1(C#N)CC1(C)C ZINC000597669875 343601588 /nfs/dbraw/zinc/60/15/88/343601588.db2.gz GDWZZYZLAWXGFF-GPCCPHFNSA-N 1 2 258.325 1.332 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](CCC(=O)OCC)C1 ZINC000619719858 349869495 /nfs/dbraw/zinc/86/94/95/349869495.db2.gz IOGWYMMHVQFIAA-QWHCGFSZSA-N 1 2 283.368 1.769 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](CCC(=O)OCC)C1 ZINC000619719858 349869500 /nfs/dbraw/zinc/86/95/00/349869500.db2.gz IOGWYMMHVQFIAA-QWHCGFSZSA-N 1 2 283.368 1.769 20 30 CDEDLO CC(C)n1cnnc1C[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598617227 343843376 /nfs/dbraw/zinc/84/33/76/343843376.db2.gz HBQAPHUFCIZRIR-GFCCVEGCSA-N 1 2 279.388 1.592 20 30 CDEDLO CC(C)n1cnnc1C[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598617227 343843378 /nfs/dbraw/zinc/84/33/78/343843378.db2.gz HBQAPHUFCIZRIR-GFCCVEGCSA-N 1 2 279.388 1.592 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[NH+]1CC(OCC(F)F)C1 ZINC000598702773 343876016 /nfs/dbraw/zinc/87/60/16/343876016.db2.gz YYVPLTRTRPJDKF-VIFPVBQESA-N 1 2 262.300 1.253 20 30 CDEDLO CCOCc1nc([C@@H](C)[NH2+]C[C@@H](O)CC(C)(C)C#N)no1 ZINC000598727112 343886385 /nfs/dbraw/zinc/88/63/85/343886385.db2.gz CLLVHGKBXMAKOA-MNOVXSKESA-N 1 2 296.371 1.557 20 30 CDEDLO N#Cc1c(F)cccc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598947312 343926879 /nfs/dbraw/zinc/92/68/79/343926879.db2.gz LRHLHYCGUJLASA-SNVBAGLBSA-N 1 2 284.294 1.639 20 30 CDEDLO C[N@@H+](Cc1cnc[nH]1)C[C@H](O)COc1ccccc1C#N ZINC000599459462 344058134 /nfs/dbraw/zinc/05/81/34/344058134.db2.gz KKLNYWYBOOAGHJ-AWEZNQCLSA-N 1 2 286.335 1.153 20 30 CDEDLO C[N@H+](Cc1cnc[nH]1)C[C@H](O)COc1ccccc1C#N ZINC000599459462 344058138 /nfs/dbraw/zinc/05/81/38/344058138.db2.gz KKLNYWYBOOAGHJ-AWEZNQCLSA-N 1 2 286.335 1.153 20 30 CDEDLO C[N@@H+](Cc1c[nH]cn1)C[C@H](O)COc1ccccc1C#N ZINC000599459462 344058140 /nfs/dbraw/zinc/05/81/40/344058140.db2.gz KKLNYWYBOOAGHJ-AWEZNQCLSA-N 1 2 286.335 1.153 20 30 CDEDLO C[N@H+](Cc1c[nH]cn1)C[C@H](O)COc1ccccc1C#N ZINC000599459462 344058142 /nfs/dbraw/zinc/05/81/42/344058142.db2.gz KKLNYWYBOOAGHJ-AWEZNQCLSA-N 1 2 286.335 1.153 20 30 CDEDLO CCN(Cc1cc2c(c[nH+]1)OCCO2)C[C@@H](C)C#N ZINC000602446349 344432416 /nfs/dbraw/zinc/43/24/16/344432416.db2.gz CPPYADRDJFIQGW-NSHDSACASA-N 1 2 261.325 1.834 20 30 CDEDLO CO[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccc(F)cc1 ZINC000602331316 344401748 /nfs/dbraw/zinc/40/17/48/344401748.db2.gz BWNBSCHQVMVRCD-DZGCQCFKSA-N 1 2 293.342 1.473 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccnn1CC1CCC1 ZINC000602333743 344402893 /nfs/dbraw/zinc/40/28/93/344402893.db2.gz OZPRIMFSYHDQOQ-HNNXBMFYSA-N 1 2 289.383 1.257 20 30 CDEDLO CC(=O)Nc1ccccc1C[NH+]1CCN(CCC#N)CC1 ZINC000602747632 344562075 /nfs/dbraw/zinc/56/20/75/344562075.db2.gz FODXNMZFQXZPRR-UHFFFAOYSA-N 1 2 286.379 1.676 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000602860387 344616066 /nfs/dbraw/zinc/61/60/66/344616066.db2.gz BIIVIUAUXCEUFM-MNOVXSKESA-N 1 2 289.335 1.677 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000602860432 344616219 /nfs/dbraw/zinc/61/62/19/344616219.db2.gz DIFRECSIRXBVFU-DYEKYZERSA-N 1 2 287.363 1.907 20 30 CDEDLO COc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000602861269 344616805 /nfs/dbraw/zinc/61/68/05/344616805.db2.gz FTMLRZHDROBTGA-VXGBXAGGSA-N 1 2 275.352 1.592 20 30 CDEDLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[NH2+][C@H](C)CC#N)C1 ZINC000602863810 344631769 /nfs/dbraw/zinc/63/17/69/344631769.db2.gz PSYZKAIJZBBRGC-JHJVBQTASA-N 1 2 295.383 1.068 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000602864180 344637666 /nfs/dbraw/zinc/63/76/66/344637666.db2.gz RBVOZQZHBZOMQP-MRVPVSSYSA-N 1 2 297.261 1.838 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000602866084 344638917 /nfs/dbraw/zinc/63/89/17/344638917.db2.gz YDYHRZNRSSBKIU-XQHKEYJVSA-N 1 2 251.374 1.771 20 30 CDEDLO CCCC[C@H]([NH2+][C@H](C)CC#N)C(=O)Nc1cc(C)on1 ZINC000602868251 344640201 /nfs/dbraw/zinc/64/02/01/344640201.db2.gz ILMJCBMJIFJANA-PWSUYJOCSA-N 1 2 278.356 1.794 20 30 CDEDLO N#CCC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000274948391 345371107 /nfs/dbraw/zinc/37/11/07/345371107.db2.gz OHKMNGJONBUVFP-UHFFFAOYSA-N 1 2 261.300 1.384 20 30 CDEDLO N#CC1(CS(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000613264446 345452995 /nfs/dbraw/zinc/45/29/95/345452995.db2.gz KRGQWPDCGFPQKZ-GFCCVEGCSA-N 1 2 294.380 1.154 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cnc(N2CCOCC2)s1 ZINC000127433626 187305321 /nfs/dbraw/zinc/30/53/21/187305321.db2.gz PCXLBPVNSWXDIS-UHFFFAOYSA-N 1 2 275.377 1.048 20 30 CDEDLO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609538404 345594918 /nfs/dbraw/zinc/59/49/18/345594918.db2.gz LBJLUQCYHBWNFI-RRFJBIMHSA-N 1 2 294.443 1.455 20 30 CDEDLO Cc1nnc(N2CCN(c3cccc[nH+]3)CC2)c(C#N)c1C ZINC000044711253 136480611 /nfs/dbraw/zinc/48/06/11/136480611.db2.gz USSFHLSDMSBTPP-UHFFFAOYSA-N 1 2 294.362 1.687 20 30 CDEDLO CC[N@H+](CCC#N)[C@H]1CCN(C2CCOCC2)C1=O ZINC000081513594 345621268 /nfs/dbraw/zinc/62/12/68/345621268.db2.gz ICUXSWIOXRUUDR-ZDUSSCGKSA-N 1 2 265.357 1.002 20 30 CDEDLO CC[N@@H+](CCC#N)[C@H]1CCN(C2CCOCC2)C1=O ZINC000081513594 345621269 /nfs/dbraw/zinc/62/12/69/345621269.db2.gz ICUXSWIOXRUUDR-ZDUSSCGKSA-N 1 2 265.357 1.002 20 30 CDEDLO Cc1ccccc1CCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000573729975 334961818 /nfs/dbraw/zinc/96/18/18/334961818.db2.gz SOUBLPQGKUAUDA-MRXNPFEDSA-N 1 2 273.380 1.888 20 30 CDEDLO C=CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H](C)COC ZINC000617583413 345868853 /nfs/dbraw/zinc/86/88/53/345868853.db2.gz IESXKELYCRDSJX-JHJVBQTASA-N 1 2 277.368 1.573 20 30 CDEDLO C=CCCNC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000617618211 345879995 /nfs/dbraw/zinc/87/99/95/345879995.db2.gz HJDYCXSIGVHEKZ-CHWSQXEVSA-N 1 2 254.374 1.568 20 30 CDEDLO C=CCCNC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000617618211 345880000 /nfs/dbraw/zinc/88/00/00/345880000.db2.gz HJDYCXSIGVHEKZ-CHWSQXEVSA-N 1 2 254.374 1.568 20 30 CDEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623306199 346026120 /nfs/dbraw/zinc/02/61/20/346026120.db2.gz IMPNDBMNKIIVBM-GFCCVEGCSA-N 1 2 298.346 1.588 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCSCC1 ZINC000047992870 346602713 /nfs/dbraw/zinc/60/27/13/346602713.db2.gz AVYRIZWUXNMGNJ-LBPRGKRZSA-N 1 2 281.425 1.766 20 30 CDEDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)N(C)CCC#N)cn1 ZINC000611140058 346618153 /nfs/dbraw/zinc/61/81/53/346618153.db2.gz QWBPBBAHIKYUJX-GFCCVEGCSA-N 1 2 290.367 1.283 20 30 CDEDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)N(C)CCC#N)cn1 ZINC000611140058 346618155 /nfs/dbraw/zinc/61/81/55/346618155.db2.gz QWBPBBAHIKYUJX-GFCCVEGCSA-N 1 2 290.367 1.283 20 30 CDEDLO CCC(CC)NC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611173752 346627213 /nfs/dbraw/zinc/62/72/13/346627213.db2.gz JFQWVGGLKNSTMZ-ZDUSSCGKSA-N 1 2 280.416 1.211 20 30 CDEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1cn(C)nn1 ZINC000611185034 346633815 /nfs/dbraw/zinc/63/38/15/346633815.db2.gz NVWYRGZIXOKUKQ-NSHDSACASA-N 1 2 255.325 1.880 20 30 CDEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cn(C)nn1 ZINC000611185034 346633818 /nfs/dbraw/zinc/63/38/18/346633818.db2.gz NVWYRGZIXOKUKQ-NSHDSACASA-N 1 2 255.325 1.880 20 30 CDEDLO COCC#CC[NH2+]C1(C(=O)OC)CCCCCC1 ZINC000611244823 346717867 /nfs/dbraw/zinc/71/78/67/346717867.db2.gz LAGOKCSUHQXUEX-UHFFFAOYSA-N 1 2 253.342 1.492 20 30 CDEDLO C[C@@H]1C[C@]1(C#N)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000449896014 362779533 /nfs/dbraw/zinc/77/95/33/362779533.db2.gz OUDMNOXLURVZCQ-SJKOYZFVSA-N 1 2 294.358 1.735 20 30 CDEDLO C=C[C@](C)(O)C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000612529530 347201021 /nfs/dbraw/zinc/20/10/21/347201021.db2.gz GJOZTTOWKHGRCK-INIZCTEOSA-N 1 2 292.354 1.407 20 30 CDEDLO Cc1ncccc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000122961386 136705330 /nfs/dbraw/zinc/70/53/30/136705330.db2.gz OLXMQEPNIUMXQF-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO C[C@]([NH2+]CC1(C#N)CCC1)(C(N)=O)c1ccccc1 ZINC000450532096 362830672 /nfs/dbraw/zinc/83/06/72/362830672.db2.gz MVXBLDULXKYNSJ-CQSZACIVSA-N 1 2 257.337 1.671 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc(O)cc(C#N)c1 ZINC000614301352 348065815 /nfs/dbraw/zinc/06/58/15/348065815.db2.gz DDZHGGNDOSESQV-UHFFFAOYSA-N 1 2 284.319 1.623 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc2c1CCC2=O ZINC000414144546 362923142 /nfs/dbraw/zinc/92/31/42/362923142.db2.gz ORBREAOGHWXXCE-GFCCVEGCSA-N 1 2 288.347 1.401 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc2c1CCC2=O ZINC000414144546 362923149 /nfs/dbraw/zinc/92/31/49/362923149.db2.gz ORBREAOGHWXXCE-GFCCVEGCSA-N 1 2 288.347 1.401 20 30 CDEDLO Cc1nn(CCCn2cc[nH+]c2)c(=O)c(C#N)c1C ZINC000273367721 192127727 /nfs/dbraw/zinc/12/77/27/192127727.db2.gz GHWDEODORFFRIC-UHFFFAOYSA-N 1 2 257.297 1.019 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000066313951 348979335 /nfs/dbraw/zinc/97/93/35/348979335.db2.gz LTAQZNVCEAFICU-GFCCVEGCSA-N 1 2 277.368 1.745 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000066313202 348979407 /nfs/dbraw/zinc/97/94/07/348979407.db2.gz BCRDSEUTRXZCCE-ZDUSSCGKSA-N 1 2 291.395 1.859 20 30 CDEDLO Cc1ncc(CO)c(/C=[NH+]/CCCc2cnn(C)c2)c1O ZINC000263705261 362942400 /nfs/dbraw/zinc/94/24/00/362942400.db2.gz FLFIFNDZTHXSAS-LZYBPNLTSA-N 1 2 288.351 1.373 20 30 CDEDLO C=CCOCCNC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000620163019 350074560 /nfs/dbraw/zinc/07/45/60/350074560.db2.gz ZXJRBCJECJAMRB-ZIAGYGMSSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CCOCCNC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000620163019 350074563 /nfs/dbraw/zinc/07/45/63/350074563.db2.gz ZXJRBCJECJAMRB-ZIAGYGMSSA-N 1 2 284.400 1.195 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)n1 ZINC000602481631 350114291 /nfs/dbraw/zinc/11/42/91/350114291.db2.gz CKDIDFVHFNSTAJ-HUUCEWRRSA-N 1 2 273.336 1.333 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)n1 ZINC000602481631 350114293 /nfs/dbraw/zinc/11/42/93/350114293.db2.gz CKDIDFVHFNSTAJ-HUUCEWRRSA-N 1 2 273.336 1.333 20 30 CDEDLO CO[C@@H]1C[N@H+](CCOc2ccccc2C#N)CCO1 ZINC000602896926 350161148 /nfs/dbraw/zinc/16/11/48/350161148.db2.gz LHOXJARYHNJMKQ-AWEZNQCLSA-N 1 2 262.309 1.242 20 30 CDEDLO CO[C@@H]1C[N@@H+](CCOc2ccccc2C#N)CCO1 ZINC000602896926 350161151 /nfs/dbraw/zinc/16/11/51/350161151.db2.gz LHOXJARYHNJMKQ-AWEZNQCLSA-N 1 2 262.309 1.242 20 30 CDEDLO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000602895558 350162021 /nfs/dbraw/zinc/16/20/21/350162021.db2.gz AFCVYRMHSWBTQN-ZIAGYGMSSA-N 1 2 280.755 1.529 20 30 CDEDLO C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000602895558 350162025 /nfs/dbraw/zinc/16/20/25/350162025.db2.gz AFCVYRMHSWBTQN-ZIAGYGMSSA-N 1 2 280.755 1.529 20 30 CDEDLO COC[C@H]1CCC[N@@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000154490377 351298821 /nfs/dbraw/zinc/29/88/21/351298821.db2.gz ODLZKJUEKCNOBJ-GFCCVEGCSA-N 1 2 291.351 1.817 20 30 CDEDLO COC[C@H]1CCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000154490377 351298825 /nfs/dbraw/zinc/29/88/25/351298825.db2.gz ODLZKJUEKCNOBJ-GFCCVEGCSA-N 1 2 291.351 1.817 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000291602514 198047284 /nfs/dbraw/zinc/04/72/84/198047284.db2.gz QRWRBAKWSIMSNF-TZMCWYRMSA-N 1 2 290.367 1.390 20 30 CDEDLO Cc1nc(N[C@@H](C)C[NH+]2CCOCC2)ccc1C#N ZINC000291710142 198066415 /nfs/dbraw/zinc/06/64/15/198066415.db2.gz VMWJXSNSCYNCDG-NSHDSACASA-N 1 2 260.341 1.394 20 30 CDEDLO CCc1nnc(NCC[NH+]2CCOCC2)c(C#N)c1CC ZINC000124200299 187126283 /nfs/dbraw/zinc/12/62/83/187126283.db2.gz GPLYRLFHBGZQBC-UHFFFAOYSA-N 1 2 289.383 1.217 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc(OCC#N)cc1 ZINC000264768396 363148236 /nfs/dbraw/zinc/14/82/36/363148236.db2.gz OVWWTSNQWYEWNS-ZDUSSCGKSA-N 1 2 298.346 1.533 20 30 CDEDLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000153979272 188115551 /nfs/dbraw/zinc/11/55/51/188115551.db2.gz RIKSNEFFLFVWSX-LLVKDONJSA-N 1 2 277.324 1.862 20 30 CDEDLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000153979272 188115552 /nfs/dbraw/zinc/11/55/52/188115552.db2.gz RIKSNEFFLFVWSX-LLVKDONJSA-N 1 2 277.324 1.862 20 30 CDEDLO C#CCOc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000158186529 188362134 /nfs/dbraw/zinc/36/21/34/188362134.db2.gz KMIGCVLJLFAEBC-UHFFFAOYSA-N 1 2 283.331 1.715 20 30 CDEDLO C[NH+]1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000132597804 282921222 /nfs/dbraw/zinc/92/12/22/282921222.db2.gz XOASFGFNNLKHEH-UHFFFAOYSA-N 1 2 265.263 1.224 20 30 CDEDLO Cc1c[nH+]c(CN2CCN(c3ncccc3C#N)CC2)n1C ZINC000342776864 356187772 /nfs/dbraw/zinc/18/77/72/356187772.db2.gz IRECXGAFKINEBJ-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccsc1C(=O)OC ZINC000570291099 363501082 /nfs/dbraw/zinc/50/10/82/363501082.db2.gz HPOQCJYCWITDHX-VIFPVBQESA-N 1 2 295.364 1.755 20 30 CDEDLO Cc1ccc(C#N)c(N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000043399006 356637774 /nfs/dbraw/zinc/63/77/74/356637774.db2.gz SIKFDRIDOLHHSK-UHFFFAOYSA-N 1 2 279.347 1.983 20 30 CDEDLO N#CCCC1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493419173 366353489 /nfs/dbraw/zinc/35/34/89/366353489.db2.gz ISEAPINBUXEPLR-ONEGZZNKSA-N 1 2 258.325 1.965 20 30 CDEDLO O=C(NCC[NH+]1CCOCC1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000329635937 538601611 /nfs/dbraw/zinc/60/16/11/538601611.db2.gz UVJUNZADEZVKLK-SOUVJXGZSA-N 1 2 295.427 1.791 20 30 CDEDLO C[C@@H]([NH2+]CCNC(O)=C1N=CC=CC1=O)C(C)(C)C ZINC000180870541 357290959 /nfs/dbraw/zinc/29/09/59/357290959.db2.gz ZADCCSNLPBTCGB-JBEXSADBSA-N 1 2 265.357 1.537 20 30 CDEDLO CC(C)[N@H+](CC(N)=O)Cc1ccc(Cl)cc1C#N ZINC000186506029 357656256 /nfs/dbraw/zinc/65/62/56/357656256.db2.gz VOPCZRZTMYUWIP-UHFFFAOYSA-N 1 2 265.744 1.907 20 30 CDEDLO CC(C)[N@@H+](CC(N)=O)Cc1ccc(Cl)cc1C#N ZINC000186506029 357656259 /nfs/dbraw/zinc/65/62/59/357656259.db2.gz VOPCZRZTMYUWIP-UHFFFAOYSA-N 1 2 265.744 1.907 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000135115564 357674439 /nfs/dbraw/zinc/67/44/39/357674439.db2.gz ABDPSIYAXUEKFA-HNNXBMFYSA-N 1 2 292.310 1.654 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000135115564 357674445 /nfs/dbraw/zinc/67/44/45/357674445.db2.gz ABDPSIYAXUEKFA-HNNXBMFYSA-N 1 2 292.310 1.654 20 30 CDEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000408084910 357818105 /nfs/dbraw/zinc/81/81/05/357818105.db2.gz UYYNRZHITBGPQY-NWDGAFQWSA-N 1 2 293.392 1.271 20 30 CDEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000408084910 357818109 /nfs/dbraw/zinc/81/81/09/357818109.db2.gz UYYNRZHITBGPQY-NWDGAFQWSA-N 1 2 293.392 1.271 20 30 CDEDLO N#Cc1cc(C[N@H+]2C[C@H](F)C[C@H]2CO)ccc1F ZINC000335236062 357887228 /nfs/dbraw/zinc/88/72/28/357887228.db2.gz OSSNLAXRMCKAJN-NEPJUHHUSA-N 1 2 252.264 1.602 20 30 CDEDLO N#Cc1cc(C[N@@H+]2C[C@H](F)C[C@H]2CO)ccc1F ZINC000335236062 357887231 /nfs/dbraw/zinc/88/72/31/357887231.db2.gz OSSNLAXRMCKAJN-NEPJUHHUSA-N 1 2 252.264 1.602 20 30 CDEDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C#N)s1 ZINC000188909918 357950916 /nfs/dbraw/zinc/95/09/16/357950916.db2.gz 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/nfs/dbraw/zinc/13/17/43/358131743.db2.gz XMVRHECQGREZKM-NSHDSACASA-N 1 2 263.341 1.669 20 30 CDEDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191420558 358131746 /nfs/dbraw/zinc/13/17/46/358131746.db2.gz XMVRHECQGREZKM-NSHDSACASA-N 1 2 263.341 1.669 20 30 CDEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@H](C#N)C(C)(C)C ZINC000493130772 358531077 /nfs/dbraw/zinc/53/10/77/358531077.db2.gz XBZQVHVPENIRFS-ZADCQDASSA-N 1 2 260.341 1.971 20 30 CDEDLO CO[C@@H]1CC[N@H+](CCC#N)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000495282467 366521874 /nfs/dbraw/zinc/52/18/74/366521874.db2.gz VBIAANWDLVRDCH-QWHCGFSZSA-N 1 2 297.399 1.904 20 30 CDEDLO CO[C@@H]1CC[N@@H+](CCC#N)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000495282467 366521881 /nfs/dbraw/zinc/52/18/81/366521881.db2.gz VBIAANWDLVRDCH-QWHCGFSZSA-N 1 2 297.399 1.904 20 30 CDEDLO CC[C@@H](C(N)=O)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000263757256 359062096 /nfs/dbraw/zinc/06/20/96/359062096.db2.gz HLNIEMSYCMRNLH-ZDUSSCGKSA-N 1 2 290.342 1.083 20 30 CDEDLO 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CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC000337379593 390811776 /nfs/dbraw/zinc/81/17/76/390811776.db2.gz BSIRVMDNAXCLOM-OAHLLOKOSA-N 1 2 292.404 1.957 20 30 CDEDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC000337379593 390811779 /nfs/dbraw/zinc/81/17/79/390811779.db2.gz BSIRVMDNAXCLOM-OAHLLOKOSA-N 1 2 292.404 1.957 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccs1 ZINC000153318620 390849535 /nfs/dbraw/zinc/84/95/35/390849535.db2.gz MKUKGFBLUQYVGV-UHFFFAOYSA-N 1 2 279.409 1.796 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000448917424 390905094 /nfs/dbraw/zinc/90/50/94/390905094.db2.gz KDEKVDXOTCGLPG-JQWIXIFHSA-N 1 2 290.367 1.034 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000156276507 390921732 /nfs/dbraw/zinc/92/17/32/390921732.db2.gz WGOIQQCGNITHQY-QWHCGFSZSA-N 1 2 254.374 1.520 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000156276507 390921733 /nfs/dbraw/zinc/92/17/33/390921733.db2.gz WGOIQQCGNITHQY-QWHCGFSZSA-N 1 2 254.374 1.520 20 30 CDEDLO C[C@@H](C(=O)Nc1nnc(C2CCC2)[nH]1)N1CC[NH+](C)CC1 ZINC000329539322 391008480 /nfs/dbraw/zinc/00/84/80/391008480.db2.gz VYNRTVMPOMECPA-JTQLQIEISA-N 1 2 292.387 1.296 20 30 CDEDLO C[C@@H](C(=O)Nc1nc(C2CCC2)n[nH]1)N1CC[NH+](C)CC1 ZINC000329539322 391008487 /nfs/dbraw/zinc/00/84/87/391008487.db2.gz VYNRTVMPOMECPA-JTQLQIEISA-N 1 2 292.387 1.296 20 30 CDEDLO C[C@@H](C(=O)Nc1n[nH]c(C2CCC2)n1)N1CC[NH+](C)CC1 ZINC000329539322 391008492 /nfs/dbraw/zinc/00/84/92/391008492.db2.gz VYNRTVMPOMECPA-JTQLQIEISA-N 1 2 292.387 1.296 20 30 CDEDLO C=CCOCC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000293773731 391035813 /nfs/dbraw/zinc/03/58/13/391035813.db2.gz LDZANNOBHULMCD-CQSZACIVSA-N 1 2 260.337 1.362 20 30 CDEDLO C=CCOCC[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000293773731 391035821 /nfs/dbraw/zinc/03/58/21/391035821.db2.gz LDZANNOBHULMCD-CQSZACIVSA-N 1 2 260.337 1.362 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)C1(C#N)CCC1)CCC2 ZINC000334436849 391115317 /nfs/dbraw/zinc/11/53/17/391115317.db2.gz HJKSWNDJJRWXIJ-GFCCVEGCSA-N 1 2 272.352 1.879 20 30 CDEDLO CC(C)CNC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352482652 391155508 /nfs/dbraw/zinc/15/55/08/391155508.db2.gz GTOGZEGCXGIJNI-NSHDSACASA-N 1 2 255.337 1.475 20 30 CDEDLO C=C(C)CN1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000088594286 391162155 /nfs/dbraw/zinc/16/21/55/391162155.db2.gz DUBPLKSWMBDWLR-CQSZACIVSA-N 1 2 265.401 1.191 20 30 CDEDLO CC#CCCCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376172363 391216692 /nfs/dbraw/zinc/21/66/92/391216692.db2.gz LBKWAHHGOGZRIU-CABCVRRESA-N 1 2 278.396 1.502 20 30 CDEDLO C=CCOCC[NH2+][C@@H](C(=O)OCC)C1CCOCC1 ZINC000339088350 391250347 /nfs/dbraw/zinc/25/03/47/391250347.db2.gz JJWLCXQHOLLCRF-CYBMUJFWSA-N 1 2 271.357 1.137 20 30 CDEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N(C)C ZINC000352815057 391202206 /nfs/dbraw/zinc/20/22/06/391202206.db2.gz KZTFVXULUUQPCI-LBPRGKRZSA-N 1 2 280.368 1.627 20 30 CDEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N(C)C ZINC000352815057 391202207 /nfs/dbraw/zinc/20/22/07/391202207.db2.gz KZTFVXULUUQPCI-LBPRGKRZSA-N 1 2 280.368 1.627 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1cccc(OCC#N)c1 ZINC000270454959 391275080 /nfs/dbraw/zinc/27/50/80/391275080.db2.gz OXNLMVIIZQWZBP-ZDUSSCGKSA-N 1 2 298.346 1.533 20 30 CDEDLO Cc1occc1C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000345758601 391310685 /nfs/dbraw/zinc/31/06/85/391310685.db2.gz CRFLCEQDIABWMR-NSHDSACASA-N 1 2 275.352 1.971 20 30 CDEDLO Cc1occc1C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000345758601 391310686 /nfs/dbraw/zinc/31/06/86/391310686.db2.gz CRFLCEQDIABWMR-NSHDSACASA-N 1 2 275.352 1.971 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)NCC#Cc1ccccc1 ZINC000346024392 391325598 /nfs/dbraw/zinc/32/55/98/391325598.db2.gz WHWFDTJVVSMRFL-UHFFFAOYSA-N 1 2 253.305 1.429 20 30 CDEDLO Cc1[nH]c[nH+]c1CC(=O)NCC#Cc1ccccc1 ZINC000346024392 391325602 /nfs/dbraw/zinc/32/56/02/391325602.db2.gz WHWFDTJVVSMRFL-UHFFFAOYSA-N 1 2 253.305 1.429 20 30 CDEDLO CC#CCCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000346167393 391339114 /nfs/dbraw/zinc/33/91/14/391339114.db2.gz PDIRZADEDBAJBE-ZIAGYGMSSA-N 1 2 271.364 1.684 20 30 CDEDLO CC#CCCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000346167392 391339315 /nfs/dbraw/zinc/33/93/15/391339315.db2.gz PDIRZADEDBAJBE-UONOGXRCSA-N 1 2 271.364 1.684 20 30 CDEDLO C=CCNC(=O)CN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000188378250 391341828 /nfs/dbraw/zinc/34/18/28/391341828.db2.gz LHNHFOTZMLGUTF-AWEZNQCLSA-N 1 2 288.326 1.530 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000339828298 391383498 /nfs/dbraw/zinc/38/34/98/391383498.db2.gz UNNYRIXTGCVSRJ-UHFFFAOYSA-N 1 2 291.273 1.193 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000339828298 391383501 /nfs/dbraw/zinc/38/35/01/391383501.db2.gz UNNYRIXTGCVSRJ-UHFFFAOYSA-N 1 2 291.273 1.193 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347366383 391394177 /nfs/dbraw/zinc/39/41/77/391394177.db2.gz IWCZFLVSBXIRQQ-ZFWWWQNUSA-N 1 2 286.391 1.596 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347366383 391394179 /nfs/dbraw/zinc/39/41/79/391394179.db2.gz IWCZFLVSBXIRQQ-ZFWWWQNUSA-N 1 2 286.391 1.596 20 30 CDEDLO Cc1noc(C)c1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000328960299 391399209 /nfs/dbraw/zinc/39/92/09/391399209.db2.gz QFPUUDKVADJVGG-SECBINFHSA-N 1 2 260.297 1.877 20 30 CDEDLO Cc1noc(C)c1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000328960299 391399212 /nfs/dbraw/zinc/39/92/12/391399212.db2.gz QFPUUDKVADJVGG-SECBINFHSA-N 1 2 260.297 1.877 20 30 CDEDLO CC[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@@H](CC)C1 ZINC000330439703 391432965 /nfs/dbraw/zinc/43/29/65/391432965.db2.gz CMJXQHOAEHVOCB-QWHCGFSZSA-N 1 2 267.373 1.248 20 30 CDEDLO CC[C@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@@H](CC)C1 ZINC000330439703 391432966 /nfs/dbraw/zinc/43/29/66/391432966.db2.gz CMJXQHOAEHVOCB-QWHCGFSZSA-N 1 2 267.373 1.248 20 30 CDEDLO COc1ccc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cc1F ZINC000330618743 391459962 /nfs/dbraw/zinc/45/99/62/391459962.db2.gz HSWYXRLBQTVZOV-LLVKDONJSA-N 1 2 296.342 1.860 20 30 CDEDLO COc1ccc(C(=O)NCC[N@H+]2CCOC[C@H]2C)cc1F ZINC000330618743 391459964 /nfs/dbraw/zinc/45/99/64/391459964.db2.gz HSWYXRLBQTVZOV-LLVKDONJSA-N 1 2 296.342 1.860 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cccnc1N(C)C ZINC000330617184 391460047 /nfs/dbraw/zinc/46/00/47/391460047.db2.gz FPMMZGHMAUTTSF-LBPRGKRZSA-N 1 2 292.383 1.173 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cccnc1N(C)C ZINC000330617184 391460048 /nfs/dbraw/zinc/46/00/48/391460048.db2.gz FPMMZGHMAUTTSF-LBPRGKRZSA-N 1 2 292.383 1.173 20 30 CDEDLO C=CCCC1(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000355656594 391462726 /nfs/dbraw/zinc/46/27/26/391462726.db2.gz JAAFYCWTAQHOFH-UONOGXRCSA-N 1 2 280.412 1.958 20 30 CDEDLO N#C[C@]1(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCOC1 ZINC000358442764 391551664 /nfs/dbraw/zinc/55/16/64/391551664.db2.gz JLNGFOCMXHJKLI-OAHLLOKOSA-N 1 2 282.303 1.285 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCc3cc(F)ccc3C2)C1=O ZINC000282003628 391668619 /nfs/dbraw/zinc/66/86/19/391668619.db2.gz NTOFTFAFOOIPIP-OAHLLOKOSA-N 1 2 274.339 1.971 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCc3cc(F)ccc3C2)C1=O ZINC000282003628 391668621 /nfs/dbraw/zinc/66/86/21/391668621.db2.gz NTOFTFAFOOIPIP-OAHLLOKOSA-N 1 2 274.339 1.971 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@@H](C)CC1CCOCC1)C(=O)OC ZINC000361110323 391682459 /nfs/dbraw/zinc/68/24/59/391682459.db2.gz HCBVXKLLNFONOF-GXTWGEPZSA-N 1 2 285.384 1.525 20 30 CDEDLO Cn1c[nH+]cc1CSc1nc(N)c(C#N)cc1C#N ZINC000439544542 391743692 /nfs/dbraw/zinc/74/36/92/391743692.db2.gz ULXOUVXUMCULHE-UHFFFAOYSA-N 1 2 270.321 1.263 20 30 CDEDLO C[C@@H]1OCC[C@]1(C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329755984 391771932 /nfs/dbraw/zinc/77/19/32/391771932.db2.gz LYFZQKXYKUPXEH-WDMOLILDSA-N 1 2 263.341 1.970 20 30 CDEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCC[C@@H]1CCO[C@@H](C)C1 ZINC000329757656 391772075 /nfs/dbraw/zinc/77/20/75/391772075.db2.gz NCVCOKBADJMRIO-BFHYXJOUSA-N 1 2 284.400 1.869 20 30 CDEDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCC[C@@H]1CCO[C@@H](C)C1 ZINC000329757656 391772078 /nfs/dbraw/zinc/77/20/78/391772078.db2.gz NCVCOKBADJMRIO-BFHYXJOUSA-N 1 2 284.400 1.869 20 30 CDEDLO CCC1(CNC(=O)N2CCn3cc[nH+]c3C2)CCOCC1 ZINC000329819477 391784547 /nfs/dbraw/zinc/78/45/47/391784547.db2.gz XSNKLTXBRGZZGL-UHFFFAOYSA-N 1 2 292.383 1.820 20 30 CDEDLO O=C(N[C@@H]1CCCc2c[nH]nc21)N1CCn2cc[nH+]c2C1 ZINC000330130592 391812097 /nfs/dbraw/zinc/81/20/97/391812097.db2.gz KLRZXAHEPJSPMY-LLVKDONJSA-N 1 2 286.339 1.413 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000372259886 391844636 /nfs/dbraw/zinc/84/46/36/391844636.db2.gz DMPNTOQZPYLULY-HNNXBMFYSA-N 1 2 280.412 1.912 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000372259886 391844639 /nfs/dbraw/zinc/84/46/39/391844639.db2.gz DMPNTOQZPYLULY-HNNXBMFYSA-N 1 2 280.412 1.912 20 30 CDEDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000171633581 391956187 /nfs/dbraw/zinc/95/61/87/391956187.db2.gz RGORCYSDKBTGEN-HNNXBMFYSA-N 1 2 282.347 1.521 20 30 CDEDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000171633581 391956189 /nfs/dbraw/zinc/95/61/89/391956189.db2.gz RGORCYSDKBTGEN-HNNXBMFYSA-N 1 2 282.347 1.521 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2ccc(C(=O)OC)[nH]2)CC1 ZINC000342819940 392045370 /nfs/dbraw/zinc/04/53/70/392045370.db2.gz FNDXBCHUQAEXPD-UHFFFAOYSA-N 1 2 291.351 1.553 20 30 CDEDLO C=CCCOCCCCC(=O)NCc1c[nH+]c[nH]1 ZINC000342868797 392050722 /nfs/dbraw/zinc/05/07/22/392050722.db2.gz JOMQSRWMAODUMU-UHFFFAOYSA-N 1 2 251.330 1.789 20 30 CDEDLO C=CCCOCCCCC(=O)NCc1c[nH]c[nH+]1 ZINC000342868797 392050728 /nfs/dbraw/zinc/05/07/28/392050728.db2.gz JOMQSRWMAODUMU-UHFFFAOYSA-N 1 2 251.330 1.789 20 30 CDEDLO CC#CC[C@@H](CO)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000646301637 392368254 /nfs/dbraw/zinc/36/82/54/392368254.db2.gz BEEGCRXWQOJDJK-LBPRGKRZSA-N 1 2 261.325 1.594 20 30 CDEDLO CC[C@@H](NC(=O)c1ccc(C#N)c(O)c1)c1[nH]cc[nH+]1 ZINC000442798035 392496158 /nfs/dbraw/zinc/49/61/58/392496158.db2.gz IVTZFUFDYTYUJG-LLVKDONJSA-N 1 2 270.292 1.868 20 30 CDEDLO N#Cc1cccc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000548630631 392499500 /nfs/dbraw/zinc/49/95/00/392499500.db2.gz GNPWSYIZRVDJTD-CYBMUJFWSA-N 1 2 281.319 1.891 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc(C#N)cc2)C1 ZINC000194735338 392881344 /nfs/dbraw/zinc/88/13/44/392881344.db2.gz MMQZRFYAVILUBG-CYBMUJFWSA-N 1 2 274.324 1.010 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc(C#N)cc2)C1 ZINC000194735338 392881349 /nfs/dbraw/zinc/88/13/49/392881349.db2.gz MMQZRFYAVILUBG-CYBMUJFWSA-N 1 2 274.324 1.010 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc(C#N)cc2)C1 ZINC000194735351 392881560 /nfs/dbraw/zinc/88/15/60/392881560.db2.gz MMQZRFYAVILUBG-ZDUSSCGKSA-N 1 2 274.324 1.010 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc(C#N)cc2)C1 ZINC000194735351 392881564 /nfs/dbraw/zinc/88/15/64/392881564.db2.gz MMQZRFYAVILUBG-ZDUSSCGKSA-N 1 2 274.324 1.010 20 30 CDEDLO CN1CCO[C@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC000130940713 392987145 /nfs/dbraw/zinc/98/71/45/392987145.db2.gz LLUKMLSHBGFWGQ-GJZGRUSLSA-N 1 2 275.327 1.212 20 30 CDEDLO CN1CCO[C@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC000130940713 392987151 /nfs/dbraw/zinc/98/71/51/392987151.db2.gz LLUKMLSHBGFWGQ-GJZGRUSLSA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC000130940713 392987157 /nfs/dbraw/zinc/98/71/57/392987157.db2.gz LLUKMLSHBGFWGQ-GJZGRUSLSA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC000130940713 392987159 /nfs/dbraw/zinc/98/71/59/392987159.db2.gz LLUKMLSHBGFWGQ-GJZGRUSLSA-N 1 2 275.327 1.212 20 30 CDEDLO Cc1cc(NCC2([C@@H](O)C(C)C)CC2)c(C#N)c[nH+]1 ZINC000425248405 393003930 /nfs/dbraw/zinc/00/39/30/393003930.db2.gz RCZNSVOLISPTIY-AWEZNQCLSA-N 1 2 259.353 1.893 20 30 CDEDLO COC(=O)C1(C)C[NH+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000425369966 393021793 /nfs/dbraw/zinc/02/17/93/393021793.db2.gz BSIJZANRTWSTFB-UHFFFAOYSA-N 1 2 274.320 1.562 20 30 CDEDLO COC(=O)[C@@](C)([NH2+]CCOc1ccccc1C#N)C1CC1 ZINC000534315368 393097028 /nfs/dbraw/zinc/09/70/28/393097028.db2.gz USILMMFKJLIZCF-INIZCTEOSA-N 1 2 288.347 1.868 20 30 CDEDLO N#Cc1csc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000329590249 393133853 /nfs/dbraw/zinc/13/38/53/393133853.db2.gz SZFAMNJSWJJJPZ-JTQLQIEISA-N 1 2 276.321 1.196 20 30 CDEDLO N#Cc1csc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000329590249 393133859 /nfs/dbraw/zinc/13/38/59/393133859.db2.gz SZFAMNJSWJJJPZ-JTQLQIEISA-N 1 2 276.321 1.196 20 30 CDEDLO Cc1nc(N)c(CNC(=O)C=Cc2ccc(C#N)cc2)c[nH+]1 ZINC000493635190 393216065 /nfs/dbraw/zinc/21/60/65/393216065.db2.gz UWVUFMQIDAJNOO-SREVYHEPSA-N 1 2 293.330 1.399 20 30 CDEDLO C[C@H]1C(=O)NCCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000189299749 140112712 /nfs/dbraw/zinc/11/27/12/140112712.db2.gz ONSBZSQANCVQAR-LBPRGKRZSA-N 1 2 282.347 1.521 20 30 CDEDLO C[C@H]1C(=O)NCCC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000189299749 140112713 /nfs/dbraw/zinc/11/27/13/140112713.db2.gz ONSBZSQANCVQAR-LBPRGKRZSA-N 1 2 282.347 1.521 20 30 CDEDLO C[C@H]1C(=O)NCCC[N@H+]1CCOc1ccccc1C#N ZINC000189308595 140112965 /nfs/dbraw/zinc/11/29/65/140112965.db2.gz LYOBIGQLUKXCEV-LBPRGKRZSA-N 1 2 273.336 1.147 20 30 CDEDLO C[C@H]1C(=O)NCCC[N@@H+]1CCOc1ccccc1C#N ZINC000189308595 140112967 /nfs/dbraw/zinc/11/29/67/140112967.db2.gz LYOBIGQLUKXCEV-LBPRGKRZSA-N 1 2 273.336 1.147 20 30 CDEDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000219518766 140167228 /nfs/dbraw/zinc/16/72/28/140167228.db2.gz KJSMPPXXCNVIGH-GFCCVEGCSA-N 1 2 261.300 1.408 20 30 CDEDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1F ZINC000219518766 140167229 /nfs/dbraw/zinc/16/72/29/140167229.db2.gz KJSMPPXXCNVIGH-GFCCVEGCSA-N 1 2 261.300 1.408 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2ccc(OC)c(C#N)c2)C[C@@H](C)O1 ZINC000251902685 140315905 /nfs/dbraw/zinc/31/59/05/140315905.db2.gz RCUPETPWCDOOBN-DOMZBBRYSA-N 1 2 290.363 1.803 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2ccc(OC)c(C#N)c2)C[C@@H](C)O1 ZINC000251902685 140315907 /nfs/dbraw/zinc/31/59/07/140315907.db2.gz RCUPETPWCDOOBN-DOMZBBRYSA-N 1 2 290.363 1.803 20 30 CDEDLO N#Cc1ccc(C[NH2+]Cc2nnc3n2CCC3)c(F)c1 ZINC000343159395 152054435 /nfs/dbraw/zinc/05/44/35/152054435.db2.gz PYHWADWEJQOBET-UHFFFAOYSA-N 1 2 271.299 1.525 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cn3cc(C)ccc3n2)nn1 ZINC000656448507 413265559 /nfs/dbraw/zinc/26/55/59/413265559.db2.gz JHIGVUCTCNFVHF-UHFFFAOYSA-N 1 2 294.362 1.395 20 30 CDEDLO C=CC[C@@H]1CCCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000656544212 413416759 /nfs/dbraw/zinc/41/67/59/413416759.db2.gz LTWXFMLLTXZTMX-CQSZACIVSA-N 1 2 281.400 1.316 20 30 CDEDLO C=CC[N@H+](CC(=O)Nc1cc(C)on1)[C@H](C)COC ZINC000661247760 413920313 /nfs/dbraw/zinc/92/03/13/413920313.db2.gz QUWSXKBHVAAMLY-SNVBAGLBSA-N 1 2 267.329 1.444 20 30 CDEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)on1)[C@H](C)COC ZINC000661247760 413920318 /nfs/dbraw/zinc/92/03/18/413920318.db2.gz QUWSXKBHVAAMLY-SNVBAGLBSA-N 1 2 267.329 1.444 20 30 CDEDLO C=CC[C@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000661381597 414040076 /nfs/dbraw/zinc/04/00/76/414040076.db2.gz MYBPEWWQEBAMCA-LBPRGKRZSA-N 1 2 272.352 1.811 20 30 CDEDLO C=CCCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000661570037 414173766 /nfs/dbraw/zinc/17/37/66/414173766.db2.gz ZGCUFRKJJZFOMD-CYBMUJFWSA-N 1 2 261.325 1.820 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2cc(C)nn2C)nn1 ZINC000657464315 414359073 /nfs/dbraw/zinc/35/90/73/414359073.db2.gz RVKDBDYKVAFDJD-UHFFFAOYSA-N 1 2 260.345 1.186 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)CC(C)(C)O1 ZINC000044477828 175178815 /nfs/dbraw/zinc/17/88/15/175178815.db2.gz BVYVELIMABLVQV-LBPRGKRZSA-N 1 2 287.363 1.996 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC(C)(C)O1 ZINC000044477828 175178816 /nfs/dbraw/zinc/17/88/16/175178816.db2.gz BVYVELIMABLVQV-LBPRGKRZSA-N 1 2 287.363 1.996 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCc1cccc(Cl)c1 ZINC000076185341 176949220 /nfs/dbraw/zinc/94/92/20/176949220.db2.gz SMUQIQOIKZSASU-UHFFFAOYSA-N 1 2 274.751 1.525 20 30 CDEDLO COC(=O)C(C)(C)[NH2+]CCOc1ccc(C#N)cc1 ZINC000076692416 177059138 /nfs/dbraw/zinc/05/91/38/177059138.db2.gz NZPPKQRJJYJNDA-UHFFFAOYSA-N 1 2 262.309 1.478 20 30 CDEDLO C[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000078705108 177373631 /nfs/dbraw/zinc/37/36/31/177373631.db2.gz SLVDDJWJCABFMA-UHFFFAOYSA-N 1 2 299.783 1.148 20 30 CDEDLO COC[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1ccc(C)o1 ZINC000347199958 226083383 /nfs/dbraw/zinc/08/33/83/226083383.db2.gz CKFRMSLNCYEDDW-LBPRGKRZSA-N 1 2 291.351 1.428 20 30 CDEDLO Cc1ncc(CNC(=O)N2CCn3cc[nH+]c3C2)s1 ZINC000329828373 227961728 /nfs/dbraw/zinc/96/17/28/227961728.db2.gz JDBALCMLMHHLCF-UHFFFAOYSA-N 1 2 277.353 1.578 20 30 CDEDLO O=C(NCC1(CO)CCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329973889 228003742 /nfs/dbraw/zinc/00/37/42/228003742.db2.gz XATGTQWOVFXHRW-GFCCVEGCSA-N 1 2 277.368 1.955 20 30 CDEDLO CCS(=O)(=O)NCCC/[NH+]=C/c1ccccc1O ZINC000050234207 260206746 /nfs/dbraw/zinc/20/67/46/260206746.db2.gz FCDVTYBEULFLSV-JLHYYAGUSA-N 1 2 270.354 1.141 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccncc1 ZINC000078687922 260302041 /nfs/dbraw/zinc/30/20/41/260302041.db2.gz OBHPZRFFOOOLEM-UHFFFAOYSA-N 1 2 274.368 1.129 20 30 CDEDLO C=CC[N@@H+](C[C@@H]1CC[C@@H](C)O1)[C@H]1CCS(=O)(=O)C1 ZINC000248896470 261213547 /nfs/dbraw/zinc/21/35/47/261213547.db2.gz JRKCYCLKKJCGLX-AGIUHOORSA-N 1 2 273.398 1.229 20 30 CDEDLO C=CC[N@H+](C[C@@H]1CC[C@@H](C)O1)[C@H]1CCS(=O)(=O)C1 ZINC000248896470 261213549 /nfs/dbraw/zinc/21/35/49/261213549.db2.gz JRKCYCLKKJCGLX-AGIUHOORSA-N 1 2 273.398 1.229 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCC(F)(F)F ZINC000104677372 261299770 /nfs/dbraw/zinc/29/97/70/261299770.db2.gz YORVRRDAICPZRV-QMMMGPOBSA-N 1 2 281.278 1.271 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCC(F)(F)F ZINC000104677372 261299772 /nfs/dbraw/zinc/29/97/72/261299772.db2.gz YORVRRDAICPZRV-QMMMGPOBSA-N 1 2 281.278 1.271 20 30 CDEDLO C=CC[N@@H+](C)CN1C[C@H](CNC(=O)OC(C)(C)C)CC1=O ZINC000497196747 262100027 /nfs/dbraw/zinc/10/00/27/262100027.db2.gz ODVDIHDZTJEPHR-LBPRGKRZSA-N 1 2 297.399 1.435 20 30 CDEDLO C=CC[N@H+](C)CN1C[C@H](CNC(=O)OC(C)(C)C)CC1=O ZINC000497196747 262100028 /nfs/dbraw/zinc/10/00/28/262100028.db2.gz ODVDIHDZTJEPHR-LBPRGKRZSA-N 1 2 297.399 1.435 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)COc1ccccc1F ZINC000263740288 262852877 /nfs/dbraw/zinc/85/28/77/262852877.db2.gz USTZGJUXUOBHRQ-RYUDHWBXSA-N 1 2 266.316 1.657 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)COc1ccccc1F ZINC000263740288 262852878 /nfs/dbraw/zinc/85/28/78/262852878.db2.gz USTZGJUXUOBHRQ-RYUDHWBXSA-N 1 2 266.316 1.657 20 30 CDEDLO CO[C@H](CO[NH+]=C(N)[C@H]1CCCO1)c1ccccc1 ZINC000283939665 263084994 /nfs/dbraw/zinc/08/49/94/263084994.db2.gz FKRBUFTZDQKRMB-CHWSQXEVSA-N 1 2 264.325 1.842 20 30 CDEDLO Cc1nc(CO[NH+]=C(N)[C@@H]2CCCO2)sc1C ZINC000284396838 263086730 /nfs/dbraw/zinc/08/67/30/263086730.db2.gz MULOJMKNFRCDIG-VIFPVBQESA-N 1 2 255.343 1.728 20 30 CDEDLO CNC(=O)c1ccc(CO[NH+]=C(N)[C@H]2CCCO2)cc1 ZINC000284519761 263086996 /nfs/dbraw/zinc/08/69/96/263086996.db2.gz UOHYNNVLCCROLA-GFCCVEGCSA-N 1 2 277.324 1.014 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1ccccc1C(=O)NC(C)C ZINC000121216546 263291311 /nfs/dbraw/zinc/29/13/11/263291311.db2.gz VDRWCZVPNARKBQ-UHFFFAOYSA-N 1 2 289.379 1.881 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1ccccc1C(=O)NC(C)C ZINC000121216546 263291312 /nfs/dbraw/zinc/29/13/12/263291312.db2.gz VDRWCZVPNARKBQ-UHFFFAOYSA-N 1 2 289.379 1.881 20 30 CDEDLO COCC1(C#N)CC[NH+]([C@H](C)c2nc(C)cc(=O)[nH]2)CC1 ZINC000341983688 263371174 /nfs/dbraw/zinc/37/11/74/263371174.db2.gz UNGYTUVUINFLFL-GFCCVEGCSA-N 1 2 290.367 1.804 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2nnc(C(C)C)o2)CC1 ZINC000341987105 263380841 /nfs/dbraw/zinc/38/08/41/263380841.db2.gz IPSRGJLOCNRUSQ-UHFFFAOYSA-N 1 2 278.356 1.945 20 30 CDEDLO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H]2C#N)on1 ZINC000330802165 264041901 /nfs/dbraw/zinc/04/19/01/264041901.db2.gz APVNESQZCVFDRS-HBNTYKKESA-N 1 2 262.313 1.592 20 30 CDEDLO CCc1nnc(C)cc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330830310 264050081 /nfs/dbraw/zinc/05/00/81/264050081.db2.gz UHNAYAIOSDBSDE-LBPRGKRZSA-N 1 2 292.383 1.373 20 30 CDEDLO CCc1nnc(C)cc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330830310 264050084 /nfs/dbraw/zinc/05/00/84/264050084.db2.gz UHNAYAIOSDBSDE-LBPRGKRZSA-N 1 2 292.383 1.373 20 30 CDEDLO Cc1[nH]c(C(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C)c[nH+]1 ZINC000330919873 264093892 /nfs/dbraw/zinc/09/38/92/264093892.db2.gz OSPQWLUHYXGYLH-CYBMUJFWSA-N 1 2 283.328 1.115 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)NCC[C@H](C)O)cc2n1C ZINC000331082010 264116766 /nfs/dbraw/zinc/11/67/66/264116766.db2.gz YFANQIDHOKKREK-VIFPVBQESA-N 1 2 261.325 1.957 20 30 CDEDLO Cc1ccc(NC(=O)NC[C@H]2COCCO2)c(C)[nH+]1 ZINC000331344859 264204920 /nfs/dbraw/zinc/20/49/20/264204920.db2.gz PXZCUAWBCBKFFR-NSHDSACASA-N 1 2 265.313 1.440 20 30 CDEDLO C=CCN(CC=C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356368467 266102612 /nfs/dbraw/zinc/10/26/12/266102612.db2.gz URQXVKPGFLBWED-CYBMUJFWSA-N 1 2 267.373 1.091 20 30 CDEDLO C=CCN(CC=C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356368467 266102613 /nfs/dbraw/zinc/10/26/13/266102613.db2.gz URQXVKPGFLBWED-CYBMUJFWSA-N 1 2 267.373 1.091 20 30 CDEDLO CC[N@@H+](CC(=O)N1CCC[C@H](C)C1)C[C@H](C)C#N ZINC000356472785 266121000 /nfs/dbraw/zinc/12/10/00/266121000.db2.gz JIAFTKCJAWFPDG-QWHCGFSZSA-N 1 2 251.374 1.726 20 30 CDEDLO CC[N@H+](CC(=O)N1CCC[C@H](C)C1)C[C@H](C)C#N ZINC000356472785 266121002 /nfs/dbraw/zinc/12/10/02/266121002.db2.gz JIAFTKCJAWFPDG-QWHCGFSZSA-N 1 2 251.374 1.726 20 30 CDEDLO C=C[C@H](CO)NC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000356855639 266192514 /nfs/dbraw/zinc/19/25/14/266192514.db2.gz NXFIZDWTDUPMDW-CYBMUJFWSA-N 1 2 299.374 1.967 20 30 CDEDLO C=C[C@@H](CO)NC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000356862821 266196245 /nfs/dbraw/zinc/19/62/45/266196245.db2.gz QQPDHGNBBJPIRN-ZDUSSCGKSA-N 1 2 296.798 1.825 20 30 CDEDLO C=C[C@@H](CO)NC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000356862821 266196248 /nfs/dbraw/zinc/19/62/48/266196248.db2.gz QQPDHGNBBJPIRN-ZDUSSCGKSA-N 1 2 296.798 1.825 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352468227 277982628 /nfs/dbraw/zinc/98/26/28/277982628.db2.gz PSWUAXIFSYTZSK-OCCSQVGLSA-N 1 2 294.374 1.757 20 30 CDEDLO C[C@@H]1COCC[C@@H]1NC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330337689 288356691 /nfs/dbraw/zinc/35/66/91/288356691.db2.gz UHBBYQUQYOHELF-WOPDTQHZSA-N 1 2 278.356 1.127 20 30 CDEDLO C[C@@H]1COCC[C@@H]1[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000330337689 288356692 /nfs/dbraw/zinc/35/66/92/288356692.db2.gz UHBBYQUQYOHELF-WOPDTQHZSA-N 1 2 278.356 1.127 20 30 CDEDLO Cc1nnc([C@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)o1 ZINC000544513702 289639782 /nfs/dbraw/zinc/63/97/82/289639782.db2.gz ZCSOTYUSJMCSKU-VIFPVBQESA-N 1 2 285.307 1.539 20 30 CDEDLO C[C@H]([C@H](C)[N@H+](C)Cc1ccc(C#N)cc1F)S(C)(=O)=O ZINC000071904622 290200296 /nfs/dbraw/zinc/20/02/96/290200296.db2.gz GGQYVLSORNQSCU-WDEREUQCSA-N 1 2 298.383 1.951 20 30 CDEDLO C[C@H]([C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1F)S(C)(=O)=O ZINC000071904622 290200298 /nfs/dbraw/zinc/20/02/98/290200298.db2.gz GGQYVLSORNQSCU-WDEREUQCSA-N 1 2 298.383 1.951 20 30 CDEDLO Cc1csc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)n1 ZINC000555553148 290224869 /nfs/dbraw/zinc/22/48/69/290224869.db2.gz PQYLJCYHEKBMAO-UHFFFAOYSA-N 1 2 284.348 1.656 20 30 CDEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H](C)C(C)C)c1C#N ZINC000556274092 290261973 /nfs/dbraw/zinc/26/19/73/290261973.db2.gz UKDJEMFSRKBHJD-SNVBAGLBSA-N 1 2 277.372 1.086 20 30 CDEDLO Cc1nsc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1C#N ZINC000286225171 294007113 /nfs/dbraw/zinc/00/71/13/294007113.db2.gz DGODUBVPLULQGV-CMPLNLGQSA-N 1 2 292.408 1.623 20 30 CDEDLO O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)N1CCn2cc[nH+]c2C1 ZINC000329939297 303510565 /nfs/dbraw/zinc/51/05/65/303510565.db2.gz AYGZTILFZCIFRE-UPJWGTAASA-N 1 2 290.367 1.570 20 30 CDEDLO C=CCOC[C@H]([NH2+]CC1Cc2ccccc2C1)C(=O)OC ZINC000570891472 327631034 /nfs/dbraw/zinc/63/10/34/327631034.db2.gz MBICQWMOPPCNKU-INIZCTEOSA-N 1 2 289.375 1.735 20 30 CDEDLO CC#CC[NH+]1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000160466217 327903229 /nfs/dbraw/zinc/90/32/29/327903229.db2.gz DXQLXOLIVPNXLH-UHFFFAOYSA-N 1 2 291.439 1.322 20 30 CDEDLO CCn1cc(C[N@H+](C)Cc2ccc(C#N)cn2)cn1 ZINC000563358257 316267437 /nfs/dbraw/zinc/26/74/37/316267437.db2.gz XMFXBVMTUKPUDV-UHFFFAOYSA-N 1 2 255.325 1.802 20 30 CDEDLO CCn1cc(C[N@@H+](C)Cc2ccc(C#N)cn2)cn1 ZINC000563358257 316267439 /nfs/dbraw/zinc/26/74/39/316267439.db2.gz XMFXBVMTUKPUDV-UHFFFAOYSA-N 1 2 255.325 1.802 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNc1cc(C#N)ncn1)CCC2 ZINC000576298566 317114059 /nfs/dbraw/zinc/11/40/59/317114059.db2.gz WHZUTHLAOKTNKP-NSHDSACASA-N 1 2 268.324 1.265 20 30 CDEDLO CC(C)[N@H+](CCC#N)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000535077405 328384732 /nfs/dbraw/zinc/38/47/32/328384732.db2.gz OHXRSLWFHFPQJF-UHFFFAOYSA-N 1 2 262.357 1.841 20 30 CDEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000535077405 328384733 /nfs/dbraw/zinc/38/47/33/328384733.db2.gz OHXRSLWFHFPQJF-UHFFFAOYSA-N 1 2 262.357 1.841 20 30 CDEDLO Cc1cccnc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000583417800 325170554 /nfs/dbraw/zinc/17/05/54/325170554.db2.gz YSSKOPTUUUXWBV-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO CC1CC(C#N)(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000533578038 326867320 /nfs/dbraw/zinc/86/73/20/326867320.db2.gz MOLMLLUQVBBORC-UYJPIKCFSA-N 1 2 284.363 1.716 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000559458345 327246363 /nfs/dbraw/zinc/24/63/63/327246363.db2.gz GBFQCVMLKCOVAU-UHFFFAOYSA-N 1 2 274.408 1.882 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000559458345 327246364 /nfs/dbraw/zinc/24/63/64/327246364.db2.gz GBFQCVMLKCOVAU-UHFFFAOYSA-N 1 2 274.408 1.882 20 30 CDEDLO Cn1ncc2c1nc(N)[nH+]c2NCC(C)(C)CC#N ZINC000582555744 329111144 /nfs/dbraw/zinc/11/11/44/329111144.db2.gz FBYQTLFWBYXVEL-UHFFFAOYSA-N 1 2 259.317 1.128 20 30 CDEDLO C=C(C)CN(C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000181158068 329233110 /nfs/dbraw/zinc/23/31/10/329233110.db2.gz WHJYHRIHVBSCJF-STQMWFEESA-N 1 2 269.389 1.313 20 30 CDEDLO CC[C@@H](C)[C@H](C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000183973810 329251904 /nfs/dbraw/zinc/25/19/04/329251904.db2.gz YYBBUAOTBYWNCW-CABCVRRESA-N 1 2 295.427 1.743 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)C[C@H]1CN(c2ccccc2)CCO1 ZINC000583031823 329305063 /nfs/dbraw/zinc/30/50/63/329305063.db2.gz DYPGPPRLXYAGNA-ZBFHGGJFSA-N 1 2 273.380 1.983 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)C[C@H]1CN(c2ccccc2)CCO1 ZINC000583031823 329305065 /nfs/dbraw/zinc/30/50/65/329305065.db2.gz DYPGPPRLXYAGNA-ZBFHGGJFSA-N 1 2 273.380 1.983 20 30 CDEDLO CC[C@@H](C#N)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000188833427 329373533 /nfs/dbraw/zinc/37/35/33/329373533.db2.gz FEYXJXCLEKHFID-WCQYABFASA-N 1 2 265.357 1.048 20 30 CDEDLO CC[C@@H](C#N)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000188833427 329373534 /nfs/dbraw/zinc/37/35/34/329373534.db2.gz FEYXJXCLEKHFID-WCQYABFASA-N 1 2 265.357 1.048 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000188833410 329373649 /nfs/dbraw/zinc/37/36/49/329373649.db2.gz FEYXJXCLEKHFID-YPMHNXCESA-N 1 2 265.357 1.048 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000188833410 329373651 /nfs/dbraw/zinc/37/36/51/329373651.db2.gz FEYXJXCLEKHFID-YPMHNXCESA-N 1 2 265.357 1.048 20 30 CDEDLO C[C@@H](C#N)CNC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000583222572 329378386 /nfs/dbraw/zinc/37/83/86/329378386.db2.gz YIWLLJUMMQSYIF-GXSJLCMTSA-N 1 2 261.329 1.330 20 30 CDEDLO C=CCCCN(C)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000418715335 329543561 /nfs/dbraw/zinc/54/35/61/329543561.db2.gz BHTJSCQXWMFNLZ-NSHDSACASA-N 1 2 275.343 1.839 20 30 CDEDLO N#CC1(CNC(=O)NCCNc2cccc[nH+]2)CCC1 ZINC000419406136 329724042 /nfs/dbraw/zinc/72/40/42/329724042.db2.gz UKPIZVNVTHPLOT-UHFFFAOYSA-N 1 2 273.340 1.487 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCC1CCOCC1 ZINC000580435854 330133531 /nfs/dbraw/zinc/13/35/31/330133531.db2.gz IZHIUCDDMUBVON-OAHLLOKOSA-N 1 2 281.400 1.543 20 30 CDEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cn(C)nc2C)nn1 ZINC000424296431 330336091 /nfs/dbraw/zinc/33/60/91/330336091.db2.gz OMPMXYARWTVFMA-JTQLQIEISA-N 1 2 260.345 1.357 20 30 CDEDLO C=CCCn1cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)nn1 ZINC000424676102 330444461 /nfs/dbraw/zinc/44/44/61/330444461.db2.gz FOEBRIMBBATTNB-GFCCVEGCSA-N 1 2 288.355 1.117 20 30 CDEDLO C=CCC(C)(C)CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000432114898 330593043 /nfs/dbraw/zinc/59/30/43/330593043.db2.gz DXPFOXIONZSKGJ-UONOGXRCSA-N 1 2 297.443 1.997 20 30 CDEDLO O=C(NCC#Cc1ccccc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000438565900 330727339 /nfs/dbraw/zinc/72/73/39/330727339.db2.gz DYDMKGJIJWEMKK-HNNXBMFYSA-N 1 2 279.343 1.613 20 30 CDEDLO C[C@@H]1C[C@]1(C#N)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000448657001 330771940 /nfs/dbraw/zinc/77/19/40/330771940.db2.gz QDVYGWUKBXRPSQ-MLGOLLRUSA-N 1 2 284.363 1.848 20 30 CDEDLO COC(=O)C[NH+]1CCC(Nc2cccc(CC#N)c2)CC1 ZINC000449704597 330945115 /nfs/dbraw/zinc/94/51/15/330945115.db2.gz WCETUPWDNPJORQ-UHFFFAOYSA-N 1 2 287.363 1.802 20 30 CDEDLO C=CC(C)(C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000451203419 331020539 /nfs/dbraw/zinc/02/05/39/331020539.db2.gz SBKVBPDDYKQIHR-UHFFFAOYSA-N 1 2 252.358 1.180 20 30 CDEDLO C=CCCCS(=O)(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000451928835 331047421 /nfs/dbraw/zinc/04/74/21/331047421.db2.gz MYBJECNFOZDQAE-NSHDSACASA-N 1 2 271.386 1.850 20 30 CDEDLO C=CCCCS(=O)(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000451949282 331047980 /nfs/dbraw/zinc/04/79/80/331047980.db2.gz XCVWNUADJMHHDD-MNOVXSKESA-N 1 2 269.370 1.775 20 30 CDEDLO C=C(C)COCCNC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000454701475 331151828 /nfs/dbraw/zinc/15/18/28/331151828.db2.gz XFJDGIGIHVRWTC-NEPJUHHUSA-N 1 2 278.356 1.781 20 30 CDEDLO C=CC(C)(C)CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000455389031 331168496 /nfs/dbraw/zinc/16/84/96/331168496.db2.gz SIYKFBIRJHCQFL-UONOGXRCSA-N 1 2 295.427 1.703 20 30 CDEDLO CC(C)(CC#N)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000457986376 331238837 /nfs/dbraw/zinc/23/88/37/331238837.db2.gz IDTYLZZRVGHSLX-UHFFFAOYSA-N 1 2 270.336 1.933 20 30 CDEDLO C=C(C)CCNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000458995508 331265361 /nfs/dbraw/zinc/26/53/61/331265361.db2.gz HAXIORSZMUSWGU-CYBMUJFWSA-N 1 2 269.389 1.315 20 30 CDEDLO C#CC[N@@H+](C[C@@H](O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000490740667 332111125 /nfs/dbraw/zinc/11/11/25/332111125.db2.gz MGEPNESPZWTQTP-HUUCEWRRSA-N 1 2 299.436 1.050 20 30 CDEDLO C#CC[N@H+](C[C@@H](O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000490740667 332111126 /nfs/dbraw/zinc/11/11/26/332111126.db2.gz MGEPNESPZWTQTP-HUUCEWRRSA-N 1 2 299.436 1.050 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2C2CC2)CC1 ZINC000491451592 332213667 /nfs/dbraw/zinc/21/36/67/332213667.db2.gz GQZGTTYXLUGYOR-UHFFFAOYSA-N 1 2 273.384 1.492 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(C(C)=O)o1 ZINC000491517670 332228419 /nfs/dbraw/zinc/22/84/19/332228419.db2.gz ZWYKYPZFNUEARA-GFCCVEGCSA-N 1 2 275.304 1.737 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(C(C)=O)o1 ZINC000491517670 332228420 /nfs/dbraw/zinc/22/84/20/332228420.db2.gz ZWYKYPZFNUEARA-GFCCVEGCSA-N 1 2 275.304 1.737 20 30 CDEDLO C#CCN(C)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000491620778 332246357 /nfs/dbraw/zinc/24/63/57/332246357.db2.gz FBKWTHSYLNWKQL-UHFFFAOYSA-N 1 2 276.727 1.762 20 30 CDEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C1CCOCC1 ZINC000491644956 332263093 /nfs/dbraw/zinc/26/30/93/332263093.db2.gz MGPKGGSKYQZZIU-UHFFFAOYSA-N 1 2 253.342 1.442 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCc1nc(-c2ccccc2)no1 ZINC000491642746 332261710 /nfs/dbraw/zinc/26/17/10/332261710.db2.gz BVGUGPPZRBNCSM-AWEZNQCLSA-N 1 2 283.331 1.613 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCc1nc(-c2ccccc2)no1 ZINC000491642746 332261711 /nfs/dbraw/zinc/26/17/11/332261711.db2.gz BVGUGPPZRBNCSM-AWEZNQCLSA-N 1 2 283.331 1.613 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000491643963 332262562 /nfs/dbraw/zinc/26/25/62/332262562.db2.gz ICIVMYYKVVWWRI-SECBINFHSA-N 1 2 274.280 1.222 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000491643963 332262563 /nfs/dbraw/zinc/26/25/63/332262563.db2.gz ICIVMYYKVVWWRI-SECBINFHSA-N 1 2 274.280 1.222 20 30 CDEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C1CCOCC1 ZINC000491644956 332263091 /nfs/dbraw/zinc/26/30/91/332263091.db2.gz MGPKGGSKYQZZIU-UHFFFAOYSA-N 1 2 253.342 1.442 20 30 CDEDLO C#C[C@H](CC)NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000491707673 332300234 /nfs/dbraw/zinc/30/02/34/332300234.db2.gz SHZWMZJLEWBYSW-QWHCGFSZSA-N 1 2 274.368 1.780 20 30 CDEDLO C#CCNC(=O)C1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000491713646 332304535 /nfs/dbraw/zinc/30/45/35/332304535.db2.gz KHKRWPUKDKHGJA-UHFFFAOYSA-N 1 2 299.378 1.017 20 30 CDEDLO C#CCNC(=O)C1CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000491713646 332304536 /nfs/dbraw/zinc/30/45/36/332304536.db2.gz KHKRWPUKDKHGJA-UHFFFAOYSA-N 1 2 299.378 1.017 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCc1ccc(COC(C)C)cc1 ZINC000491758839 332330723 /nfs/dbraw/zinc/33/07/23/332330723.db2.gz KCKIXFLFIZJJSF-UHFFFAOYSA-N 1 2 288.391 1.793 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCc1ccc(COC(C)C)cc1 ZINC000491758839 332330724 /nfs/dbraw/zinc/33/07/24/332330724.db2.gz KCKIXFLFIZJJSF-UHFFFAOYSA-N 1 2 288.391 1.793 20 30 CDEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@]1(C#N)CC1(C)C ZINC000493363315 332437175 /nfs/dbraw/zinc/43/71/75/332437175.db2.gz BYBRQMGJWMTFOV-VBROQKIQSA-N 1 2 258.325 1.725 20 30 CDEDLO Cc1cnccc1/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000493399752 332438555 /nfs/dbraw/zinc/43/85/55/332438555.db2.gz ZNMSPYAXLMIQAB-YVACAVLKSA-N 1 2 272.352 1.363 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1Cc2ccccc2C1 ZINC000530335841 333542827 /nfs/dbraw/zinc/54/28/27/333542827.db2.gz TWMTYDCWGYAXCG-LBPRGKRZSA-N 1 2 269.348 1.953 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC(CC#N)CC1 ZINC000543778054 333898009 /nfs/dbraw/zinc/89/80/09/333898009.db2.gz RUWRHUIFAJFSDI-LBPRGKRZSA-N 1 2 275.356 1.607 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000547398106 334085560 /nfs/dbraw/zinc/08/55/60/334085560.db2.gz HPTYFZXWIWINIX-CQSZACIVSA-N 1 2 277.368 1.701 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000547398106 334085561 /nfs/dbraw/zinc/08/55/61/334085561.db2.gz HPTYFZXWIWINIX-CQSZACIVSA-N 1 2 277.368 1.701 20 30 CDEDLO N#CCC[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000551850090 334264160 /nfs/dbraw/zinc/26/41/60/334264160.db2.gz XWGDVCHWCQUHBZ-UHFFFAOYSA-N 1 2 272.757 1.617 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000576577363 335220891 /nfs/dbraw/zinc/22/08/91/335220891.db2.gz VAARVNDXFCOKKZ-ZDUSSCGKSA-N 1 2 291.376 1.493 20 30 CDEDLO C=C[C@H](O)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000668979231 482451326 /nfs/dbraw/zinc/45/13/26/482451326.db2.gz VMQZEUHBYQSNMH-HNNXBMFYSA-N 1 2 290.363 1.313 20 30 CDEDLO COCC#CC[NH+]1CCN([C@H](C)c2cccnc2)CC1 ZINC000677133240 482469305 /nfs/dbraw/zinc/46/93/05/482469305.db2.gz OAKSUKFOCDSYPA-OAHLLOKOSA-N 1 2 273.380 1.410 20 30 CDEDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000361628097 482754916 /nfs/dbraw/zinc/75/49/16/482754916.db2.gz GVOQLLSJDKULIL-SECBINFHSA-N 1 2 250.273 1.691 20 30 CDEDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000361628097 482754920 /nfs/dbraw/zinc/75/49/20/482754920.db2.gz GVOQLLSJDKULIL-SECBINFHSA-N 1 2 250.273 1.691 20 30 CDEDLO C=C(C)COCCNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000675579684 483334952 /nfs/dbraw/zinc/33/49/52/483334952.db2.gz XYABSTQDGJCTDU-CQSZACIVSA-N 1 2 292.383 1.822 20 30 CDEDLO C=CCOCC(=O)N1C[C@@H](C)[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001112305467 1161041142 /nfs/dbraw/zinc/04/11/42/1161041142.db2.gz XUCWMKJODCKYDA-YPMHNXCESA-N 1 2 290.367 1.246 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnccc1C ZINC001753044865 1185010724 /nfs/dbraw/zinc/01/07/24/1185010724.db2.gz RDBWMTHDSNSCFY-UHFFFAOYSA-N 1 2 267.760 1.804 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnccc1C ZINC001753044865 1185010730 /nfs/dbraw/zinc/01/07/30/1185010730.db2.gz RDBWMTHDSNSCFY-UHFFFAOYSA-N 1 2 267.760 1.804 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001113232415 1162133782 /nfs/dbraw/zinc/13/37/82/1162133782.db2.gz PBYFCXFMFODCGR-UONOGXRCSA-N 1 2 290.411 1.523 20 30 CDEDLO C=CC[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000105894384 526455675 /nfs/dbraw/zinc/45/56/75/526455675.db2.gz JELBTYBZFRDQNU-OAHLLOKOSA-N 1 2 276.380 1.230 20 30 CDEDLO CCC[C@@H]1C[C@H]1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000330267430 527850165 /nfs/dbraw/zinc/85/01/65/527850165.db2.gz ICAGSVCLGAQEJK-IJLUTSLNSA-N 1 2 255.362 1.009 20 30 CDEDLO CCC[C@@H]1C[C@H]1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000330267430 527850169 /nfs/dbraw/zinc/85/01/69/527850169.db2.gz ICAGSVCLGAQEJK-IJLUTSLNSA-N 1 2 255.362 1.009 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC000115575890 529308203 /nfs/dbraw/zinc/30/82/03/529308203.db2.gz JJNQUBAPULWROX-STQMWFEESA-N 1 2 267.373 1.105 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC000115575890 529308204 /nfs/dbraw/zinc/30/82/04/529308204.db2.gz JJNQUBAPULWROX-STQMWFEESA-N 1 2 267.373 1.105 20 30 CDEDLO COc1cc(C)[nH+]c(Cn2cccc(C#N)c2=O)c1 ZINC000219838624 536697278 /nfs/dbraw/zinc/69/72/78/536697278.db2.gz SZTADBMJPIYDHD-UHFFFAOYSA-N 1 2 255.277 1.480 20 30 CDEDLO C[C@H](NC(=O)N1CCn2cc[nH+]c2C1)[C@H]1CCCCO1 ZINC000329384618 538563920 /nfs/dbraw/zinc/56/39/20/538563920.db2.gz RSDSOOAUBIOOMQ-NWDGAFQWSA-N 1 2 278.356 1.570 20 30 CDEDLO C[C@@H](CNC(=O)c1cccnc1C1CC1)[NH+]1CCOCC1 ZINC000329560527 538583156 /nfs/dbraw/zinc/58/31/56/538583156.db2.gz MIYLUCFKIVXTHZ-LBPRGKRZSA-N 1 2 289.379 1.984 20 30 CDEDLO CC(C)CN(CCC#N)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000726530045 574499898 /nfs/dbraw/zinc/49/98/98/574499898.db2.gz CBSSVWWLEGNVJE-UHFFFAOYSA-N 1 2 298.350 1.674 20 30 CDEDLO CC(C)c1nc(NC2CCN(CC#N)CC2)cc[nH+]1 ZINC000732043176 575076721 /nfs/dbraw/zinc/07/67/21/575076721.db2.gz QWUXERSJBBZKNN-UHFFFAOYSA-N 1 2 259.357 2.000 20 30 CDEDLO CSCCNC(=S)NN=Cc1cccc2[nH+]ccn21 ZINC000769598871 575386445 /nfs/dbraw/zinc/38/64/45/575386445.db2.gz KMZIFSVDFLTQOH-UHFFFAOYSA-N 1 2 293.421 1.495 20 30 CDEDLO COc1ccc(C[NH2+]Cc2nnnn2CC2CC2)cc1C#N ZINC000769935921 575398978 /nfs/dbraw/zinc/39/89/78/575398978.db2.gz GRHNVHRHGDKLRV-UHFFFAOYSA-N 1 2 298.350 1.253 20 30 CDEDLO Cc1[nH+]c[nH]c1CN=Nc1nnc(-c2ccccc2)n1C ZINC000755647889 575409140 /nfs/dbraw/zinc/40/91/40/575409140.db2.gz FXGOLTZBYRNIAI-UHFFFAOYSA-N 1 2 281.323 1.960 20 30 CDEDLO C=CCOc1ccccc1C[N@@H+]1CCCNC(=O)C1 ZINC000769114290 576331454 /nfs/dbraw/zinc/33/14/54/576331454.db2.gz JSURSRGKCICYMZ-UHFFFAOYSA-N 1 2 260.337 1.573 20 30 CDEDLO C=CCOc1ccccc1C[N@H+]1CCCNC(=O)C1 ZINC000769114290 576331457 /nfs/dbraw/zinc/33/14/57/576331457.db2.gz JSURSRGKCICYMZ-UHFFFAOYSA-N 1 2 260.337 1.573 20 30 CDEDLO CC(C)C[N@H+](CCC#N)CC(=O)NCC1CCC1 ZINC000739915449 576397547 /nfs/dbraw/zinc/39/75/47/576397547.db2.gz ZXUQAMFVHGEQJZ-UHFFFAOYSA-N 1 2 251.374 1.774 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)CC(=O)NCC1CCC1 ZINC000739915449 576397549 /nfs/dbraw/zinc/39/75/49/576397549.db2.gz ZXUQAMFVHGEQJZ-UHFFFAOYSA-N 1 2 251.374 1.774 20 30 CDEDLO C#CCNC(=O)C[N@@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000741793080 576574095 /nfs/dbraw/zinc/57/40/95/576574095.db2.gz FPQDTSXQPGBDKL-LLVKDONJSA-N 1 2 279.409 1.756 20 30 CDEDLO C#CCNC(=O)C[N@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000741793080 576574096 /nfs/dbraw/zinc/57/40/96/576574096.db2.gz FPQDTSXQPGBDKL-LLVKDONJSA-N 1 2 279.409 1.756 20 30 CDEDLO COCCCC(C)N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761836424 576596746 /nfs/dbraw/zinc/59/67/46/576596746.db2.gz SQILCBJFGMSSFU-UHFFFAOYSA-N 1 2 274.328 1.877 20 30 CDEDLO COCC#CC[NH+]1CCN(C2=NCC(C)(C)S2)CC1 ZINC000762925951 576693880 /nfs/dbraw/zinc/69/38/80/576693880.db2.gz KVQMYPJVUMZTNY-UHFFFAOYSA-N 1 2 281.425 1.135 20 30 CDEDLO COCC#CCN1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000762925951 576693881 /nfs/dbraw/zinc/69/38/81/576693881.db2.gz KVQMYPJVUMZTNY-UHFFFAOYSA-N 1 2 281.425 1.135 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745081489 576713405 /nfs/dbraw/zinc/71/34/05/576713405.db2.gz ZUWJYWPAHHEYMS-WFASDCNBSA-N 1 2 295.383 1.068 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745081489 576713406 /nfs/dbraw/zinc/71/34/06/576713406.db2.gz ZUWJYWPAHHEYMS-WFASDCNBSA-N 1 2 295.383 1.068 20 30 CDEDLO C#CC[N@H+](Cc1nc(-c2ccccn2)no1)C1CC1 ZINC000763948930 576767554 /nfs/dbraw/zinc/76/75/54/576767554.db2.gz GOEULXDBYROCSF-UHFFFAOYSA-N 1 2 254.293 1.729 20 30 CDEDLO C#CC[N@@H+](Cc1nc(-c2ccccn2)no1)C1CC1 ZINC000763948930 576767557 /nfs/dbraw/zinc/76/75/57/576767557.db2.gz GOEULXDBYROCSF-UHFFFAOYSA-N 1 2 254.293 1.729 20 30 CDEDLO CC#CC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000764050715 576776011 /nfs/dbraw/zinc/77/60/11/576776011.db2.gz FOHUVAGFVHHLKF-UHFFFAOYSA-N 1 2 299.374 1.229 20 30 CDEDLO C#CC(=O)N(CCCCCC)CC[NH+]1CCOCC1 ZINC000753959006 576869933 /nfs/dbraw/zinc/86/99/33/576869933.db2.gz QUODILGNBYKAFZ-UHFFFAOYSA-N 1 2 266.385 1.361 20 30 CDEDLO C#CC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000754014733 576873500 /nfs/dbraw/zinc/87/35/00/576873500.db2.gz MXSPLKMFYONNKY-ZDUSSCGKSA-N 1 2 272.348 1.534 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C)nc1C ZINC000755621676 576952525 /nfs/dbraw/zinc/95/25/25/576952525.db2.gz VMGYHGXFQLSODJ-AWEZNQCLSA-N 1 2 257.337 1.735 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C)nc1C ZINC000755621676 576952526 /nfs/dbraw/zinc/95/25/26/576952526.db2.gz VMGYHGXFQLSODJ-AWEZNQCLSA-N 1 2 257.337 1.735 20 30 CDEDLO C#C[C@@H](CC)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000753176641 577151439 /nfs/dbraw/zinc/15/14/39/577151439.db2.gz JALRRSBNMWVPSE-QWHCGFSZSA-N 1 2 272.352 1.371 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ncoc2C)C1 ZINC000949751601 612993200 /nfs/dbraw/zinc/99/32/00/612993200.db2.gz QKWYYMYPUWMCFC-UHFFFAOYSA-N 1 2 261.325 1.153 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(OC)cs2)C1 ZINC000951121970 612991701 /nfs/dbraw/zinc/99/17/01/612991701.db2.gz QQIGRBNBTLBMLN-UHFFFAOYSA-N 1 2 292.404 1.926 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccnc(OC)c2)C1 ZINC000950707966 612992500 /nfs/dbraw/zinc/99/25/00/612992500.db2.gz GCADVXUGVIGSMR-UHFFFAOYSA-N 1 2 287.363 1.260 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ncc(C)cc2C)C1 ZINC000950945119 612993169 /nfs/dbraw/zinc/99/31/69/612993169.db2.gz JCXFHBPBJDAWDV-UHFFFAOYSA-N 1 2 285.391 1.868 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ncccc2C)C1 ZINC000949861222 612993429 /nfs/dbraw/zinc/99/34/29/612993429.db2.gz CASRPFGTQSTXHF-UHFFFAOYSA-N 1 2 271.364 1.560 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2sc(C)nc2C)C1 ZINC000968628348 613250891 /nfs/dbraw/zinc/25/08/91/613250891.db2.gz WZRKYQHLVJBCBZ-GWCFXTLKSA-N 1 2 291.420 1.833 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2sc(C)nc2C)C1 ZINC000968628348 613250893 /nfs/dbraw/zinc/25/08/93/613250893.db2.gz WZRKYQHLVJBCBZ-GWCFXTLKSA-N 1 2 291.420 1.833 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@@H](OC)C2)C1 ZINC000950649032 613294453 /nfs/dbraw/zinc/29/44/53/613294453.db2.gz DDLIZEKFYGYTJA-UKRRQHHQSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccnc(C)n2)C1 ZINC000957402094 613296910 /nfs/dbraw/zinc/29/69/10/613296910.db2.gz MDQJNKGIDGRUBD-UHFFFAOYSA-N 1 2 274.368 1.507 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccnn2CC)C1 ZINC000949956469 613296945 /nfs/dbraw/zinc/29/69/45/613296945.db2.gz QEYOCUKZQLRQSX-UHFFFAOYSA-N 1 2 276.384 1.625 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc3ccccc3nn2)CC1 ZINC000949570450 613320318 /nfs/dbraw/zinc/32/03/18/613320318.db2.gz DEMMDILOKPTOBA-UHFFFAOYSA-N 1 2 296.374 1.964 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCCO2)C1 ZINC000969482483 613371483 /nfs/dbraw/zinc/37/14/83/613371483.db2.gz FMXNEFCXNCJODT-YPMHNXCESA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2CC(OC)C2)C1 ZINC000969916682 613371592 /nfs/dbraw/zinc/37/15/92/613371592.db2.gz PLPWDFFWQRUJHP-XSRFYTQQSA-N 1 2 286.803 1.600 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc[nH]c2)C1 ZINC000969724886 613371863 /nfs/dbraw/zinc/37/18/63/613371863.db2.gz IPOSJLZPJGHBJC-SNVBAGLBSA-N 1 2 267.760 1.817 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)c3ccn[nH]3)C2)C1 ZINC000981634319 613372952 /nfs/dbraw/zinc/37/29/52/613372952.db2.gz BBEXRHAKFDAWNN-UHFFFAOYSA-N 1 2 294.786 1.700 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)c3ccn[nH]3)C2)C1 ZINC000981634319 613372953 /nfs/dbraw/zinc/37/29/53/613372953.db2.gz BBEXRHAKFDAWNN-UHFFFAOYSA-N 1 2 294.786 1.700 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)c3cc[nH]n3)C2)C1 ZINC000981634319 613372954 /nfs/dbraw/zinc/37/29/54/613372954.db2.gz BBEXRHAKFDAWNN-UHFFFAOYSA-N 1 2 294.786 1.700 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)c3cc[nH]n3)C2)C1 ZINC000981634319 613372955 /nfs/dbraw/zinc/37/29/55/613372955.db2.gz BBEXRHAKFDAWNN-UHFFFAOYSA-N 1 2 294.786 1.700 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC000965618647 613377852 /nfs/dbraw/zinc/37/78/52/613377852.db2.gz AHDWBNXJHKXBID-ZANVPECISA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC000965618647 613377853 /nfs/dbraw/zinc/37/78/53/613377853.db2.gz AHDWBNXJHKXBID-ZANVPECISA-N 1 2 296.802 1.911 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccncc3)C2)C1 ZINC000972225042 613570912 /nfs/dbraw/zinc/57/09/12/613570912.db2.gz QWOWUIYPORGYKC-KRWDZBQOSA-N 1 2 299.374 1.022 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccncc3)C2)C1 ZINC000972225042 613570914 /nfs/dbraw/zinc/57/09/14/613570914.db2.gz QWOWUIYPORGYKC-KRWDZBQOSA-N 1 2 299.374 1.022 20 30 CDEDLO O=C(NCC#C[C@H]1CCCCO1)[C@H]1CCn2cc[nH+]c2C1 ZINC000891116045 617365738 /nfs/dbraw/zinc/36/57/38/617365738.db2.gz KBFQWAPGLSNJRR-UONOGXRCSA-N 1 2 287.363 1.134 20 30 CDEDLO CC#CC[N@@H+]1C[C@H](NC(=O)c2snnc2C)C(C)(C)C1 ZINC000972798909 613625235 /nfs/dbraw/zinc/62/52/35/613625235.db2.gz NHDQLERIGGKDIS-NSHDSACASA-N 1 2 292.408 1.310 20 30 CDEDLO CC#CC[N@H+]1C[C@H](NC(=O)c2snnc2C)C(C)(C)C1 ZINC000972798909 613625237 /nfs/dbraw/zinc/62/52/37/613625237.db2.gz NHDQLERIGGKDIS-NSHDSACASA-N 1 2 292.408 1.310 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCO[C@@H](C)C2)C1 ZINC000957046815 613655503 /nfs/dbraw/zinc/65/55/03/613655503.db2.gz ZBIRNGXQXQNCCC-STQMWFEESA-N 1 2 266.385 1.520 20 30 CDEDLO C=CC[NH+]1CC([C@H](C)NC(=O)c2[nH]nc(C)c2C)C1 ZINC000969404628 613673741 /nfs/dbraw/zinc/67/37/41/613673741.db2.gz OJPNJPTYGBLXEH-NSHDSACASA-N 1 2 262.357 1.263 20 30 CDEDLO C=CC[N@H+]1CCCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC000981784177 613679087 /nfs/dbraw/zinc/67/90/87/613679087.db2.gz IXUTYKAQCJXXGM-SNVBAGLBSA-N 1 2 294.292 1.997 20 30 CDEDLO C=CC[N@@H+]1CCCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC000981784177 613679093 /nfs/dbraw/zinc/67/90/93/613679093.db2.gz IXUTYKAQCJXXGM-SNVBAGLBSA-N 1 2 294.292 1.997 20 30 CDEDLO C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC000981784177 613679096 /nfs/dbraw/zinc/67/90/96/613679096.db2.gz IXUTYKAQCJXXGM-SNVBAGLBSA-N 1 2 294.292 1.997 20 30 CDEDLO C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC000981784177 613679098 /nfs/dbraw/zinc/67/90/98/613679098.db2.gz IXUTYKAQCJXXGM-SNVBAGLBSA-N 1 2 294.292 1.997 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2c(C)noc2C)CC1 ZINC000957610448 613707347 /nfs/dbraw/zinc/70/73/47/613707347.db2.gz VNBGQGYVGUVTLZ-UHFFFAOYSA-N 1 2 277.368 1.554 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCOc3ccccc32)CC1 ZINC000951773643 613713195 /nfs/dbraw/zinc/71/31/95/613713195.db2.gz TYPHCBUPZALLOS-HNNXBMFYSA-N 1 2 286.375 1.883 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c3c[nH]nc3ccc2C)CC1 ZINC000948998721 613714030 /nfs/dbraw/zinc/71/40/30/613714030.db2.gz FBQXHWXBOPRYJK-UHFFFAOYSA-N 1 2 284.363 1.815 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc3c([nH]2)CCC3)CC1 ZINC000957293254 613715101 /nfs/dbraw/zinc/71/51/01/613715101.db2.gz MUHAHXCYMJLNHO-UHFFFAOYSA-N 1 2 259.353 1.447 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccn(CC(C)C)n2)CC1 ZINC000948580185 613717703 /nfs/dbraw/zinc/71/77/03/613717703.db2.gz CCXLKOYRJZMVCQ-UHFFFAOYSA-N 1 2 276.384 1.483 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)no3)C2)C1 ZINC000972253199 613724331 /nfs/dbraw/zinc/72/43/31/613724331.db2.gz MKLXTASOOMKAEA-HNNXBMFYSA-N 1 2 291.351 1.086 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)no3)C2)C1 ZINC000972253199 613724335 /nfs/dbraw/zinc/72/43/35/613724335.db2.gz MKLXTASOOMKAEA-HNNXBMFYSA-N 1 2 291.351 1.086 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CC=CC3)C2)C1 ZINC000972308146 613725635 /nfs/dbraw/zinc/72/56/35/613725635.db2.gz IGVDGSLCAKYCEZ-MRXNPFEDSA-N 1 2 276.380 1.442 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CC=CC3)C2)C1 ZINC000972308146 613725637 /nfs/dbraw/zinc/72/56/37/613725637.db2.gz IGVDGSLCAKYCEZ-MRXNPFEDSA-N 1 2 276.380 1.442 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccco3)C2)C1 ZINC000972225612 613727382 /nfs/dbraw/zinc/72/73/82/613727382.db2.gz ACAMKNDJSJOTIN-OAHLLOKOSA-N 1 2 276.336 1.383 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccco3)C2)C1 ZINC000972225612 613727383 /nfs/dbraw/zinc/72/73/83/613727383.db2.gz ACAMKNDJSJOTIN-OAHLLOKOSA-N 1 2 276.336 1.383 20 30 CDEDLO CC(C)c1noc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC000967945005 614340435 /nfs/dbraw/zinc/34/04/35/614340435.db2.gz UNAQWBFLOGUULD-WDEREUQCSA-N 1 2 291.355 1.043 20 30 CDEDLO CC1(C)CN(CC#N)C[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000974819561 614607574 /nfs/dbraw/zinc/60/75/74/614607574.db2.gz SKRQBHOIVLAXMR-ZDUSSCGKSA-N 1 2 297.362 1.298 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H](C#N)C1 ZINC000925609728 617554155 /nfs/dbraw/zinc/55/41/55/617554155.db2.gz AQIBXLMYVPKQEW-KBPBESRZSA-N 1 2 294.399 1.042 20 30 CDEDLO C#CCC[NH+]1CCN(c2ncc(C(=O)OC)s2)CC1 ZINC000892316047 617766407 /nfs/dbraw/zinc/76/64/07/617766407.db2.gz VVQSORNDPLNNFL-UHFFFAOYSA-N 1 2 279.365 1.075 20 30 CDEDLO C[N@H+](Cc1cc(Cl)ccc1OCC#N)C(C)(C)C(N)=O ZINC000830298210 618625173 /nfs/dbraw/zinc/62/51/73/618625173.db2.gz YJPZFJWVODUDAY-UHFFFAOYSA-N 1 2 295.770 1.938 20 30 CDEDLO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)C(C)(C)C(N)=O ZINC000830298210 618625180 /nfs/dbraw/zinc/62/51/80/618625180.db2.gz YJPZFJWVODUDAY-UHFFFAOYSA-N 1 2 295.770 1.938 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OCC)o2)C1=O ZINC000894232281 618740567 /nfs/dbraw/zinc/74/05/67/618740567.db2.gz XYUXLHSSUDRGLO-CYBMUJFWSA-N 1 2 278.352 1.897 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(OCC)o2)C1=O ZINC000894232281 618740568 /nfs/dbraw/zinc/74/05/68/618740568.db2.gz XYUXLHSSUDRGLO-CYBMUJFWSA-N 1 2 278.352 1.897 20 30 CDEDLO COc1cc(OC)c(C[NH2+][C@@H]2CCCN(O)C2=O)cc1F ZINC000895157281 619372743 /nfs/dbraw/zinc/37/27/43/619372743.db2.gz OTTFZYHRYGIRMF-LLVKDONJSA-N 1 2 298.314 1.313 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2cn3cc(Cl)ccc3n2)CCCN1O ZINC000895165526 619393764 /nfs/dbraw/zinc/39/37/64/619393764.db2.gz LPIULXIMMKFQGS-LLVKDONJSA-N 1 2 294.742 1.458 20 30 CDEDLO C=C[C@H](CC)CC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000909526484 619772407 /nfs/dbraw/zinc/77/24/07/619772407.db2.gz YIULMZQGXHWKJX-CHWSQXEVSA-N 1 2 255.358 1.853 20 30 CDEDLO Cc1[nH]c(CNC(=O)COc2ccccc2C#N)[nH+]c1C ZINC000896930006 620314905 /nfs/dbraw/zinc/31/49/05/620314905.db2.gz RCLWUVPXWFTWAF-UHFFFAOYSA-N 1 2 284.319 1.593 20 30 CDEDLO N#Cc1cccc(-n2cc(C[NH+]3CCC(O)CC3)nn2)c1 ZINC000899711376 622380348 /nfs/dbraw/zinc/38/03/48/622380348.db2.gz HHQAXNUWTFYQQO-UHFFFAOYSA-N 1 2 283.335 1.096 20 30 CDEDLO N#CCCN(Cc1ccco1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900455043 623080733 /nfs/dbraw/zinc/08/07/33/623080733.db2.gz MYKQXNRKFJMVJT-UHFFFAOYSA-N 1 2 258.281 1.488 20 30 CDEDLO C=C[C@@](C)(O)Cc1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904266113 626234502 /nfs/dbraw/zinc/23/45/02/626234502.db2.gz ZODDQBLNOGLIAZ-CYBMUJFWSA-N 1 2 260.297 1.502 20 30 CDEDLO Cc1cc(C)c(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(C)[nH+]1 ZINC000906662445 627362739 /nfs/dbraw/zinc/36/27/39/627362739.db2.gz WYBDGXKALRUEPY-HNNXBMFYSA-N 1 2 298.390 1.819 20 30 CDEDLO C=C(Cl)CNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906742950 627394499 /nfs/dbraw/zinc/39/44/99/627394499.db2.gz KSUCWXAGTIDEQW-UHFFFAOYSA-N 1 2 297.786 1.303 20 30 CDEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cc1c[nH+]c[nH]1 ZINC000908145992 628030508 /nfs/dbraw/zinc/03/05/08/628030508.db2.gz BDGFRSYPWFUKJS-UHFFFAOYSA-N 1 2 289.335 1.642 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccsc2C#N)[C@@H](C)CO1 ZINC000912387894 629977977 /nfs/dbraw/zinc/97/79/77/629977977.db2.gz CRFHXBFERHNPMC-WDEREUQCSA-N 1 2 293.392 1.459 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccsc2C#N)[C@@H](C)CO1 ZINC000912387894 629977980 /nfs/dbraw/zinc/97/79/80/629977980.db2.gz CRFHXBFERHNPMC-WDEREUQCSA-N 1 2 293.392 1.459 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)cc1 ZINC000913457297 630488025 /nfs/dbraw/zinc/48/80/25/630488025.db2.gz ZRERJDLGUUQSTN-INIZCTEOSA-N 1 2 294.358 1.188 20 30 CDEDLO N#CCOc1ccccc1C(=O)NCCNc1cccc[nH+]1 ZINC000920438288 632787043 /nfs/dbraw/zinc/78/70/43/632787043.db2.gz AAWWNJBOLPFFIY-UHFFFAOYSA-N 1 2 296.330 1.826 20 30 CDEDLO COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001170543886 1162807679 /nfs/dbraw/zinc/80/76/79/1162807679.db2.gz QPKMQSSLXKGTKG-YUSALJHKSA-N 1 2 281.377 1.602 20 30 CDEDLO COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001170543886 1162807689 /nfs/dbraw/zinc/80/76/89/1162807689.db2.gz QPKMQSSLXKGTKG-YUSALJHKSA-N 1 2 281.377 1.602 20 30 CDEDLO COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001170543886 1162807700 /nfs/dbraw/zinc/80/77/00/1162807700.db2.gz QPKMQSSLXKGTKG-YUSALJHKSA-N 1 2 281.377 1.602 20 30 CDEDLO COC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001170543886 1162807707 /nfs/dbraw/zinc/80/77/07/1162807707.db2.gz QPKMQSSLXKGTKG-YUSALJHKSA-N 1 2 281.377 1.602 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H](OCC)C(C)C)C1 ZINC001754576493 1159287787 /nfs/dbraw/zinc/28/77/87/1159287787.db2.gz NXMMLIXFUCNCFE-CQSZACIVSA-N 1 2 268.401 1.766 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)COCC)CC[C@H]1C ZINC001131797617 1163054962 /nfs/dbraw/zinc/05/49/62/1163054962.db2.gz LXSPWYAKZKATLZ-NEPJUHHUSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)COCC)CC[C@H]1C ZINC001131797617 1163054969 /nfs/dbraw/zinc/05/49/69/1163054969.db2.gz LXSPWYAKZKATLZ-NEPJUHHUSA-N 1 2 274.792 1.745 20 30 CDEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@@H](CC)CCC)C1 ZINC001755337860 1159837287 /nfs/dbraw/zinc/83/72/87/1159837287.db2.gz WQARHQRRONECID-AWEZNQCLSA-N 1 2 280.412 1.389 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cnnn2C)C1 ZINC001131899082 1163100705 /nfs/dbraw/zinc/10/07/05/1163100705.db2.gz IFIGFNSESGLUIT-QWHCGFSZSA-N 1 2 291.399 1.250 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cnnn2C)C1 ZINC001131899082 1163100707 /nfs/dbraw/zinc/10/07/07/1163100707.db2.gz IFIGFNSESGLUIT-QWHCGFSZSA-N 1 2 291.399 1.250 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1OC ZINC001212185543 1161020802 /nfs/dbraw/zinc/02/08/02/1161020802.db2.gz WPQFZAHGXJHYOK-YVNFWLBFSA-N 1 2 284.787 1.358 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1OC ZINC001212185543 1161020808 /nfs/dbraw/zinc/02/08/08/1161020808.db2.gz WPQFZAHGXJHYOK-YVNFWLBFSA-N 1 2 284.787 1.358 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccn2CC=C)C1 ZINC001030447823 1161014476 /nfs/dbraw/zinc/01/44/76/1161014476.db2.gz NJENPGYDODODHF-UHFFFAOYSA-N 1 2 257.337 1.111 20 30 CDEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CC)C2)CC1 ZINC001065676133 1161935080 /nfs/dbraw/zinc/93/50/80/1161935080.db2.gz WOSZKNIWZLQQEW-CQSZACIVSA-N 1 2 293.411 1.108 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](F)C(C)C)CC1 ZINC001113215716 1162130926 /nfs/dbraw/zinc/13/09/26/1162130926.db2.gz ZRUQVPKUUCHRGE-CYBMUJFWSA-N 1 2 272.364 1.327 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2nc(C)no2)cc1 ZINC001132226917 1163207644 /nfs/dbraw/zinc/20/76/44/1163207644.db2.gz SYXZDNZOLUJFJZ-NSHDSACASA-N 1 2 298.346 1.440 20 30 CDEDLO Cc1cc(C[N@@H+]2CCCN(c3cc(C#N)ccn3)CC2)no1 ZINC001647188004 1168434139 /nfs/dbraw/zinc/43/41/39/1168434139.db2.gz IDALYQJYELTSTJ-UHFFFAOYSA-N 1 2 297.362 1.962 20 30 CDEDLO Cc1cc(C[N@H+]2CCCN(c3cc(C#N)ccn3)CC2)no1 ZINC001647188004 1168434142 /nfs/dbraw/zinc/43/41/42/1168434142.db2.gz IDALYQJYELTSTJ-UHFFFAOYSA-N 1 2 297.362 1.962 20 30 CDEDLO C=C[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001588515909 1173071495 /nfs/dbraw/zinc/07/14/95/1173071495.db2.gz KQLIITJXKAEDIZ-DTWKUNHWSA-N 1 2 259.313 1.797 20 30 CDEDLO N#CC1(C[NH2+]Cc2cccc(-c3nn[nH]n3)n2)CCCCC1 ZINC001592668893 1173960602 /nfs/dbraw/zinc/96/06/02/1173960602.db2.gz BIMLTNAWPZQPNG-UHFFFAOYSA-N 1 2 297.366 1.825 20 30 CDEDLO C=CC[C@@H](C(=O)[O-])[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC001602835081 1175423866 /nfs/dbraw/zinc/42/38/66/1175423866.db2.gz JHKHXQXTTAVAKR-NEPJUHHUSA-N 1 2 263.341 1.629 20 30 CDEDLO C=CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC001602835081 1175423877 /nfs/dbraw/zinc/42/38/77/1175423877.db2.gz JHKHXQXTTAVAKR-NEPJUHHUSA-N 1 2 263.341 1.629 20 30 CDEDLO C#CCOc1ccc(C(=O)NCCc2[nH+]ccn2C)cc1 ZINC000162082051 1179202113 /nfs/dbraw/zinc/20/21/13/1179202113.db2.gz HIUAXJZBGRQSDW-UHFFFAOYSA-N 1 2 283.331 1.405 20 30 CDEDLO C=C(C)CCC(=O)NCC[N@@H+](Cc1ccn(C)n1)C1CC1 ZINC001753155559 1182220900 /nfs/dbraw/zinc/22/09/00/1182220900.db2.gz DNAUSZZRAOOVNY-UHFFFAOYSA-N 1 2 290.411 1.857 20 30 CDEDLO C=C(C)CCC(=O)NCC[N@H+](Cc1ccn(C)n1)C1CC1 ZINC001753155559 1182220907 /nfs/dbraw/zinc/22/09/07/1182220907.db2.gz DNAUSZZRAOOVNY-UHFFFAOYSA-N 1 2 290.411 1.857 20 30 CDEDLO C#CC[NH+]1CCN(CCN(C)C(=O)/C=C\C(C)(C)C)CC1 ZINC001753343963 1183984482 /nfs/dbraw/zinc/98/44/82/1183984482.db2.gz MPRXACSZNJEYMK-FPLPWBNLSA-N 1 2 291.439 1.298 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCCC[N@H+](C)Cc1nnc(C)o1 ZINC001752056319 1184813601 /nfs/dbraw/zinc/81/36/01/1184813601.db2.gz QPKBPWSFWWTACV-HNNXBMFYSA-N 1 2 294.399 1.918 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCCC[N@@H+](C)Cc1nnc(C)o1 ZINC001752056319 1184813604 /nfs/dbraw/zinc/81/36/04/1184813604.db2.gz QPKBPWSFWWTACV-HNNXBMFYSA-N 1 2 294.399 1.918 20 30 CDEDLO C=CC(C)(C)C(=O)N(C)CC[NH2+]Cc1nnc(C)o1 ZINC001753225673 1185124017 /nfs/dbraw/zinc/12/40/17/1185124017.db2.gz UOOFHJDABSQCIS-UHFFFAOYSA-N 1 2 266.345 1.138 20 30 CDEDLO C=CCOCC[NH+]1CC(NC(=O)CCc2cncs2)C1 ZINC001753387123 1185179930 /nfs/dbraw/zinc/17/99/30/1185179930.db2.gz KKMZJGLGBPJTMK-UHFFFAOYSA-N 1 2 295.408 1.079 20 30 CDEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)SC ZINC001753419163 1185195575 /nfs/dbraw/zinc/19/55/75/1185195575.db2.gz DUSHTWYIMCGLHM-RDBSUJKOSA-N 1 2 296.436 1.063 20 30 CDEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)SC ZINC001753419163 1185195579 /nfs/dbraw/zinc/19/55/79/1185195579.db2.gz DUSHTWYIMCGLHM-RDBSUJKOSA-N 1 2 296.436 1.063 20 30 CDEDLO C=CCCC(=O)NC/C=C/C[NH2+]Cc1nn(C)cc1Cl ZINC001754101090 1185464160 /nfs/dbraw/zinc/46/41/60/1185464160.db2.gz GYKSQEHAANOTGG-AATRIKPKSA-N 1 2 296.802 1.802 20 30 CDEDLO C=CCCCC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)C(C)C ZINC001754492289 1185640866 /nfs/dbraw/zinc/64/08/66/1185640866.db2.gz ZPRRVQNSWMKNPM-AWEZNQCLSA-N 1 2 295.427 1.400 20 30 CDEDLO C=CCCCC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)C(C)C ZINC001754492289 1185640870 /nfs/dbraw/zinc/64/08/70/1185640870.db2.gz ZPRRVQNSWMKNPM-AWEZNQCLSA-N 1 2 295.427 1.400 20 30 CDEDLO CCc1noc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C#CC(C)C)n1 ZINC001755251226 1185877935 /nfs/dbraw/zinc/87/79/35/1185877935.db2.gz CTEXOTFROISIRJ-RYUDHWBXSA-N 1 2 292.383 1.274 20 30 CDEDLO C=CCOCC(=O)NC[C@H](C)[N@H+](C)[C@@H](C)c1ncc(C)o1 ZINC001755293911 1185896359 /nfs/dbraw/zinc/89/63/59/1185896359.db2.gz BIVCQIOGKSYNRD-AAEUAGOBSA-N 1 2 295.383 1.683 20 30 CDEDLO C=CCOCC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)c1ncc(C)o1 ZINC001755293911 1185896364 /nfs/dbraw/zinc/89/63/64/1185896364.db2.gz BIVCQIOGKSYNRD-AAEUAGOBSA-N 1 2 295.383 1.683 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c1nc(C)no1 ZINC001755585216 1186002996 /nfs/dbraw/zinc/00/29/96/1186002996.db2.gz MEOYANVUPVBROC-VXGBXAGGSA-N 1 2 292.383 1.679 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC2(F)F)C1 ZINC001046299292 728759094 /nfs/dbraw/zinc/75/90/94/728759094.db2.gz JCHAYWYPADJCDA-GXSJLCMTSA-N 1 2 278.730 1.975 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC2(F)F)C1 ZINC001046299292 728759101 /nfs/dbraw/zinc/75/91/01/728759101.db2.gz JCHAYWYPADJCDA-GXSJLCMTSA-N 1 2 278.730 1.975 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC001044343585 728757628 /nfs/dbraw/zinc/75/76/28/728757628.db2.gz QIKBAOLMBAFEDF-UHFFFAOYSA-N 1 2 299.330 1.313 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCO[C@@H](CCC)C2)C1 ZINC001044098727 728791323 /nfs/dbraw/zinc/79/13/23/728791323.db2.gz WVRBKYUTEMHPPB-ZFWWWQNUSA-N 1 2 280.412 1.910 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc3ncccc3o2)C1 ZINC000829583291 728806364 /nfs/dbraw/zinc/80/63/64/728806364.db2.gz YNWJRWLHVVXYKS-LBPRGKRZSA-N 1 2 283.331 1.655 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3ncccc3o2)C1 ZINC000829583291 728806366 /nfs/dbraw/zinc/80/63/66/728806366.db2.gz YNWJRWLHVVXYKS-LBPRGKRZSA-N 1 2 283.331 1.655 20 30 CDEDLO CN(C(=O)CO[NH+]=C(N)c1ccc(F)cc1)C1CC1 ZINC000049065760 728808224 /nfs/dbraw/zinc/80/82/24/728808224.db2.gz QRHFHIDNEJEHAM-UHFFFAOYSA-N 1 2 265.288 1.083 20 30 CDEDLO C=C[C@H](CO)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000853966854 728810724 /nfs/dbraw/zinc/81/07/24/728810724.db2.gz KMPIBYOOWZAQFO-SECBINFHSA-N 1 2 261.329 1.540 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ncc(OC)cc2F)C1 ZINC001042869338 728820772 /nfs/dbraw/zinc/82/07/72/728820772.db2.gz KWQHOECIXCNATQ-UHFFFAOYSA-N 1 2 291.326 1.009 20 30 CDEDLO CO[C@]1(C)CCC[N@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000794653179 728841407 /nfs/dbraw/zinc/84/14/07/728841407.db2.gz CJZMJUZLLZPRFD-OAHLLOKOSA-N 1 2 275.352 1.487 20 30 CDEDLO CO[C@]1(C)CCC[N@@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000794653179 728841408 /nfs/dbraw/zinc/84/14/08/728841408.db2.gz CJZMJUZLLZPRFD-OAHLLOKOSA-N 1 2 275.352 1.487 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2nccc(C)n2)C1 ZINC001046284823 728858414 /nfs/dbraw/zinc/85/84/14/728858414.db2.gz VKQXVYXNIKEEPK-AWEZNQCLSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2nccc(C)n2)C1 ZINC001046284823 728858415 /nfs/dbraw/zinc/85/84/15/728858415.db2.gz VKQXVYXNIKEEPK-AWEZNQCLSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(C)C[NH+]1CC(CNC(=O)c2[nH]nc(C)c2C)C1 ZINC001031586718 728869198 /nfs/dbraw/zinc/86/91/98/728869198.db2.gz FZQLGPZJAPNPPA-UHFFFAOYSA-N 1 2 262.357 1.264 20 30 CDEDLO C=C[C@H](C)ONC(=O)CSCC[NH+](CC)CC ZINC000846547599 728883541 /nfs/dbraw/zinc/88/35/41/728883541.db2.gz PJHRFALNYJRHQU-NSHDSACASA-N 1 2 260.403 1.684 20 30 CDEDLO Cc1nc2c(c(=O)[nH]1)C[N@H+](CCOc1cccc(C#N)c1)C2 ZINC000931320371 728893602 /nfs/dbraw/zinc/89/36/02/728893602.db2.gz FKVSSSCOLVOABZ-UHFFFAOYSA-N 1 2 296.330 1.757 20 30 CDEDLO Cc1nc2c(c(=O)[nH]1)C[N@@H+](CCOc1cccc(C#N)c1)C2 ZINC000931320371 728893603 /nfs/dbraw/zinc/89/36/03/728893603.db2.gz FKVSSSCOLVOABZ-UHFFFAOYSA-N 1 2 296.330 1.757 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cc1ccccc1 ZINC001032795705 728901767 /nfs/dbraw/zinc/90/17/67/728901767.db2.gz ODZNDHDVQAUTKT-PVAVHDDUSA-N 1 2 282.387 1.784 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cc1ccccc1 ZINC001032795705 728901775 /nfs/dbraw/zinc/90/17/75/728901775.db2.gz ODZNDHDVQAUTKT-PVAVHDDUSA-N 1 2 282.387 1.784 20 30 CDEDLO COC(=O)c1ccc(N=NC(C)c2cn(C)c(C)[nH+]2)nc1 ZINC000800815458 728906685 /nfs/dbraw/zinc/90/66/85/728906685.db2.gz ZTOLWWJSXRIMAJ-UHFFFAOYSA-N 1 2 287.323 1.746 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001038400677 728916773 /nfs/dbraw/zinc/91/67/73/728916773.db2.gz MUDIDPDNUUWSLD-HZSPNIEDSA-N 1 2 274.389 1.675 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001038400677 728916776 /nfs/dbraw/zinc/91/67/76/728916776.db2.gz MUDIDPDNUUWSLD-HZSPNIEDSA-N 1 2 274.389 1.675 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N(C)[C@H]3CCN(CC#N)C3)ccn12 ZINC001033077627 728950102 /nfs/dbraw/zinc/95/01/02/728950102.db2.gz FRUORUDICJIBLK-AWEZNQCLSA-N 1 2 297.362 1.313 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H](C)c2cccnc2)C1 ZINC001044198982 728382878 /nfs/dbraw/zinc/38/28/78/728382878.db2.gz GYDDFSDFSPADQW-LBPRGKRZSA-N 1 2 259.353 1.514 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1C ZINC001038031325 728388373 /nfs/dbraw/zinc/38/83/73/728388373.db2.gz VKHXDUKOEAHKFK-CQSZACIVSA-N 1 2 256.349 1.822 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1C ZINC001038031325 728388374 /nfs/dbraw/zinc/38/83/74/728388374.db2.gz VKHXDUKOEAHKFK-CQSZACIVSA-N 1 2 256.349 1.822 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)Cc1ccccc1 ZINC000884047264 728402511 /nfs/dbraw/zinc/40/25/11/728402511.db2.gz MBCJRDVIZPTRJZ-AWEZNQCLSA-N 1 2 290.363 1.482 20 30 CDEDLO C#CC1CCN(C(=O)N[C@@H](CC)C[NH+]2CCOCC2)CC1 ZINC000925610232 728415498 /nfs/dbraw/zinc/41/54/98/728415498.db2.gz FHQSAQFZTPESMQ-HNNXBMFYSA-N 1 2 293.411 1.152 20 30 CDEDLO C#CC1(O)C[NH+](CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000934448848 728429037 /nfs/dbraw/zinc/42/90/37/728429037.db2.gz AWUXXRHHKOLRHY-ZDUSSCGKSA-N 1 2 294.395 1.313 20 30 CDEDLO N#CCCNC(=O)C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000795221490 728433961 /nfs/dbraw/zinc/43/39/61/728433961.db2.gz RNPWWEMDMKCPFE-UHFFFAOYSA-N 1 2 287.338 1.945 20 30 CDEDLO N#CCCNC(=O)C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000795221490 728433963 /nfs/dbraw/zinc/43/39/63/728433963.db2.gz RNPWWEMDMKCPFE-UHFFFAOYSA-N 1 2 287.338 1.945 20 30 CDEDLO C#CCCN1CC(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001030312492 728439450 /nfs/dbraw/zinc/43/94/50/728439450.db2.gz KGGFJNWKBYIKOL-UHFFFAOYSA-N 1 2 282.347 1.080 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1C1CC1)CCO2 ZINC001053465705 728457096 /nfs/dbraw/zinc/45/70/96/728457096.db2.gz UYYACSWEQHFWFB-LSDHHAIUSA-N 1 2 290.407 1.522 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001027833670 728484011 /nfs/dbraw/zinc/48/40/11/728484011.db2.gz SKBASVMYPHOHIT-ZDUSSCGKSA-N 1 2 292.770 1.833 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001027833670 728484013 /nfs/dbraw/zinc/48/40/13/728484013.db2.gz SKBASVMYPHOHIT-ZDUSSCGKSA-N 1 2 292.770 1.833 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(F)(F)C(C)(C)C ZINC000884417760 728518970 /nfs/dbraw/zinc/51/89/70/728518970.db2.gz PNFNXKDPQRCAKT-VIFPVBQESA-N 1 2 292.326 1.231 20 30 CDEDLO C#Cc1ccccc1CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000810300596 728530596 /nfs/dbraw/zinc/53/05/96/728530596.db2.gz ZJPDFUHOQDZCSM-CQSZACIVSA-N 1 2 286.375 1.047 20 30 CDEDLO C#Cc1ccccc1CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000810300596 728530598 /nfs/dbraw/zinc/53/05/98/728530598.db2.gz ZJPDFUHOQDZCSM-CQSZACIVSA-N 1 2 286.375 1.047 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn(C(C)C)c2C)C1 ZINC001031233087 728543416 /nfs/dbraw/zinc/54/34/16/728543416.db2.gz UCBCDJNKERFCNK-UHFFFAOYSA-N 1 2 276.384 1.763 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1[nH]ccc1C)O2 ZINC001053597406 728560488 /nfs/dbraw/zinc/56/04/88/728560488.db2.gz DFBSMGCXYIXAKP-ZDUSSCGKSA-N 1 2 289.379 1.472 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2CC(OCC)C2)C1 ZINC001031646015 728562788 /nfs/dbraw/zinc/56/27/88/728562788.db2.gz QTFBKFKZZHMUIO-UHFFFAOYSA-N 1 2 286.803 1.602 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C2CC2)n(CC)n1 ZINC001038327610 728574763 /nfs/dbraw/zinc/57/47/63/728574763.db2.gz PLFKEOYTFFGXAL-ZDUSSCGKSA-N 1 2 286.379 1.218 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C2CC2)n(CC)n1 ZINC001038327610 728574765 /nfs/dbraw/zinc/57/47/65/728574765.db2.gz PLFKEOYTFFGXAL-ZDUSSCGKSA-N 1 2 286.379 1.218 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CCC2CCCC2)C1 ZINC000885508792 729124053 /nfs/dbraw/zinc/12/40/53/729124053.db2.gz LLWNSEMJQXZGBJ-HNNXBMFYSA-N 1 2 298.452 1.584 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CCC2CCCC2)C1 ZINC000885508792 729124054 /nfs/dbraw/zinc/12/40/54/729124054.db2.gz LLWNSEMJQXZGBJ-HNNXBMFYSA-N 1 2 298.452 1.584 20 30 CDEDLO C[C@@H]1NC(=O)[C@H](C)[N@H+](Cc2ccc(OCC#N)cc2)[C@H]1C ZINC000930831757 729129251 /nfs/dbraw/zinc/12/92/51/729129251.db2.gz RJGDGVFXENFLQS-AVGNSLFASA-N 1 2 287.363 1.686 20 30 CDEDLO C[C@@H]1NC(=O)[C@H](C)[N@@H+](Cc2ccc(OCC#N)cc2)[C@H]1C ZINC000930831757 729129254 /nfs/dbraw/zinc/12/92/54/729129254.db2.gz RJGDGVFXENFLQS-AVGNSLFASA-N 1 2 287.363 1.686 20 30 CDEDLO C=C(C)CONC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000844284962 729130477 /nfs/dbraw/zinc/13/04/77/729130477.db2.gz NQYFLBXTQUXLOG-UHFFFAOYSA-N 1 2 290.367 1.989 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)c1cc(C)cc(C)c1 ZINC000884099634 729137426 /nfs/dbraw/zinc/13/74/26/729137426.db2.gz UZYJOGXUFZFDOO-AWEZNQCLSA-N 1 2 290.363 1.713 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cn3c(cccc3C)n2)C1 ZINC001044278566 729157512 /nfs/dbraw/zinc/15/75/12/729157512.db2.gz PIVSFKYFJMUJJY-UHFFFAOYSA-N 1 2 296.374 1.422 20 30 CDEDLO N#Cc1cccn(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c1=O ZINC000789501446 729160121 /nfs/dbraw/zinc/16/01/21/729160121.db2.gz FIENNBVCCJCTGJ-ZIAGYGMSSA-N 1 2 273.336 1.321 20 30 CDEDLO N#Cc1cccn(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c1=O ZINC000789501446 729160124 /nfs/dbraw/zinc/16/01/24/729160124.db2.gz FIENNBVCCJCTGJ-ZIAGYGMSSA-N 1 2 273.336 1.321 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCC(=O)NCC2CCC2)cc1 ZINC000066468545 729175385 /nfs/dbraw/zinc/17/53/85/729175385.db2.gz RLXJJKCSXWPAAG-UHFFFAOYSA-N 1 2 291.351 1.248 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCc2cn[nH]c21 ZINC001027885437 729193463 /nfs/dbraw/zinc/19/34/63/729193463.db2.gz FGGZEOSQTWKMAN-KBPBESRZSA-N 1 2 288.395 1.596 20 30 CDEDLO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCc2cn[nH]c21 ZINC001027885437 729193465 /nfs/dbraw/zinc/19/34/65/729193465.db2.gz FGGZEOSQTWKMAN-KBPBESRZSA-N 1 2 288.395 1.596 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(NC(C)=O)ccc2C)C1 ZINC001031491071 729197047 /nfs/dbraw/zinc/19/70/47/729197047.db2.gz QUIDPMLXXFJESQ-UHFFFAOYSA-N 1 2 299.374 1.391 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001032475797 729236772 /nfs/dbraw/zinc/23/67/72/729236772.db2.gz JQGYXWUBMJBFBE-ZQDZILKHSA-N 1 2 286.400 1.770 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001032475797 729236780 /nfs/dbraw/zinc/23/67/80/729236780.db2.gz JQGYXWUBMJBFBE-ZQDZILKHSA-N 1 2 286.400 1.770 20 30 CDEDLO CN(C(=O)CO[NH+]=C(N)Cc1ccccc1)C1CC1 ZINC000049065806 729248966 /nfs/dbraw/zinc/24/89/66/729248966.db2.gz OKBIXRDWQSQRDV-UHFFFAOYSA-N 1 2 261.325 1.139 20 30 CDEDLO C[C@@H](Nc1nc(Cl)c(C#N)s1)[C@H]1C[N@H+](C)CCO1 ZINC000804561803 729254314 /nfs/dbraw/zinc/25/43/14/729254314.db2.gz QRHCXAMVBNGISZ-HTQZYQBOSA-N 1 2 286.788 1.799 20 30 CDEDLO C[C@@H](Nc1nc(Cl)c(C#N)s1)[C@H]1C[N@@H+](C)CCO1 ZINC000804561803 729254327 /nfs/dbraw/zinc/25/43/27/729254327.db2.gz QRHCXAMVBNGISZ-HTQZYQBOSA-N 1 2 286.788 1.799 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C2CC(OCC)C2)C1 ZINC001030275075 729254505 /nfs/dbraw/zinc/25/45/05/729254505.db2.gz PQCZWQDIQCKMJL-UHFFFAOYSA-N 1 2 252.358 1.178 20 30 CDEDLO CO[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)C[C@H]1O ZINC000832000867 729291946 /nfs/dbraw/zinc/29/19/46/729291946.db2.gz BEAPHWNHGMUIPZ-TZMCWYRMSA-N 1 2 296.754 1.434 20 30 CDEDLO CO[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)C[C@H]1O ZINC000832000867 729291949 /nfs/dbraw/zinc/29/19/49/729291949.db2.gz BEAPHWNHGMUIPZ-TZMCWYRMSA-N 1 2 296.754 1.434 20 30 CDEDLO C=C(Br)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000776341262 729296722 /nfs/dbraw/zinc/29/67/22/729296722.db2.gz GMQIGIACIWVJNV-SECBINFHSA-N 1 2 284.157 1.470 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1csnn1 ZINC001024901897 729313877 /nfs/dbraw/zinc/31/38/77/729313877.db2.gz CJUFJLMVDCWEMR-CMPLNLGQSA-N 1 2 293.396 1.168 20 30 CDEDLO CN(C)c1ncc(C=[NH+]Nc2cnnc3ccccc32)n1C ZINC000811643552 729321391 /nfs/dbraw/zinc/32/13/91/729321391.db2.gz HARSJNRWACOCIC-UHFFFAOYSA-N 1 2 295.350 1.875 20 30 CDEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C(C)(C)C)C2)CC1 ZINC001052111636 729333649 /nfs/dbraw/zinc/33/36/49/729333649.db2.gz AVYYZQZPAOGIOL-OAHLLOKOSA-N 1 2 291.439 1.274 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCc2cc(C)no2)cc1 ZINC000048610519 729360294 /nfs/dbraw/zinc/36/02/94/729360294.db2.gz LMQLYHJJCYKTLH-UHFFFAOYSA-N 1 2 261.281 1.829 20 30 CDEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(C3CC3)c(C#N)c2)C1 ZINC000882312330 729362372 /nfs/dbraw/zinc/36/23/72/729362372.db2.gz VQAHIFDNJCASFO-HNNXBMFYSA-N 1 2 285.347 1.705 20 30 CDEDLO C[N@H+]1CCO[C@H](C(=O)Nc2ccc(C3CC3)c(C#N)c2)C1 ZINC000882312330 729362373 /nfs/dbraw/zinc/36/23/73/729362373.db2.gz VQAHIFDNJCASFO-HNNXBMFYSA-N 1 2 285.347 1.705 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C23CCC(CC2)CC3)C1 ZINC001035606430 729368000 /nfs/dbraw/zinc/36/80/00/729368000.db2.gz DIBDJRZFFCTONQ-ISXOHVOVSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C23CCC(CC2)CC3)C1 ZINC001035606430 729368001 /nfs/dbraw/zinc/36/80/01/729368001.db2.gz DIBDJRZFFCTONQ-ISXOHVOVSA-N 1 2 292.423 1.960 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC2CCC1CC2 ZINC001032805818 729382457 /nfs/dbraw/zinc/38/24/57/729382457.db2.gz JBORZYDVDJWERD-SVXVCFNTSA-N 1 2 272.392 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC2CCC1CC2 ZINC001032805818 729382459 /nfs/dbraw/zinc/38/24/59/729382459.db2.gz JBORZYDVDJWERD-SVXVCFNTSA-N 1 2 272.392 1.731 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1CC(C)C ZINC000884153018 729392650 /nfs/dbraw/zinc/39/26/50/729392650.db2.gz AAHXDLGCRYKYIJ-KBPBESRZSA-N 1 2 296.411 1.860 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2ncccc2o1 ZINC001038532048 729392860 /nfs/dbraw/zinc/39/28/60/729392860.db2.gz JMAXSVCGHJEMLP-LLVKDONJSA-N 1 2 271.320 1.818 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2ncccc2o1 ZINC001038532048 729392861 /nfs/dbraw/zinc/39/28/61/729392861.db2.gz JMAXSVCGHJEMLP-LLVKDONJSA-N 1 2 271.320 1.818 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCCC[C@@H]1C ZINC000884137779 729395525 /nfs/dbraw/zinc/39/55/25/729395525.db2.gz VMCUTDWFSZMSEQ-RYUDHWBXSA-N 1 2 268.357 1.224 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1CC(C)C1)CO2 ZINC001053771609 729463715 /nfs/dbraw/zinc/46/37/15/729463715.db2.gz QAPWGIGWVQOQCQ-JXQTWKCFSA-N 1 2 278.396 1.568 20 30 CDEDLO Cc1noc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H](C)C#N)n1 ZINC001024902155 729505372 /nfs/dbraw/zinc/50/53/72/729505372.db2.gz JHJFSEYKZAUDSX-CMPLNLGQSA-N 1 2 291.355 1.008 20 30 CDEDLO O=C(C#CC1CC1)N1CCC2(CC1)C[N@H+](CCF)CCO2 ZINC000949358202 729513564 /nfs/dbraw/zinc/51/35/64/729513564.db2.gz HUJXFOPQIHWEMN-UHFFFAOYSA-N 1 2 294.370 1.063 20 30 CDEDLO O=C(C#CC1CC1)N1CCC2(CC1)C[N@@H+](CCF)CCO2 ZINC000949358202 729513566 /nfs/dbraw/zinc/51/35/66/729513566.db2.gz HUJXFOPQIHWEMN-UHFFFAOYSA-N 1 2 294.370 1.063 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc2c(cn1)CCC2 ZINC000818987006 729519975 /nfs/dbraw/zinc/51/99/75/729519975.db2.gz HOBZJFCOTIIFJB-AWEZNQCLSA-N 1 2 269.348 1.606 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc2c(cn1)CCC2 ZINC000818987006 729519977 /nfs/dbraw/zinc/51/99/77/729519977.db2.gz HOBZJFCOTIIFJB-AWEZNQCLSA-N 1 2 269.348 1.606 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000884087718 729529644 /nfs/dbraw/zinc/52/96/44/729529644.db2.gz MADWLLMXNSQMLQ-MFKMUULPSA-N 1 2 280.368 1.223 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC23CCC3)C1 ZINC001035531819 729543750 /nfs/dbraw/zinc/54/37/50/729543750.db2.gz UJDSLAJZNPUGQE-KGLIPLIRSA-N 1 2 278.396 1.570 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC23CCC3)C1 ZINC001035531819 729543755 /nfs/dbraw/zinc/54/37/55/729543755.db2.gz UJDSLAJZNPUGQE-KGLIPLIRSA-N 1 2 278.396 1.570 20 30 CDEDLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000930831770 729554104 /nfs/dbraw/zinc/55/41/04/729554104.db2.gz RJGDGVFXENFLQS-XQQFMLRXSA-N 1 2 287.363 1.686 20 30 CDEDLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000930831770 729554111 /nfs/dbraw/zinc/55/41/11/729554111.db2.gz RJGDGVFXENFLQS-XQQFMLRXSA-N 1 2 287.363 1.686 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001035521879 729589204 /nfs/dbraw/zinc/58/92/04/729589204.db2.gz CQABOAOZQKXYRE-HNNXBMFYSA-N 1 2 299.374 1.785 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001035521879 729589205 /nfs/dbraw/zinc/58/92/05/729589205.db2.gz CQABOAOZQKXYRE-HNNXBMFYSA-N 1 2 299.374 1.785 20 30 CDEDLO C#CC[C@@H]1CC[N@@H+](Cc2noc(CCCC(=O)OC)n2)C1 ZINC000886358627 729600236 /nfs/dbraw/zinc/60/02/36/729600236.db2.gz YQRIPQQNLISOKP-GFCCVEGCSA-N 1 2 291.351 1.411 20 30 CDEDLO C#CC[C@@H]1CC[N@H+](Cc2noc(CCCC(=O)OC)n2)C1 ZINC000886358627 729600238 /nfs/dbraw/zinc/60/02/38/729600238.db2.gz YQRIPQQNLISOKP-GFCCVEGCSA-N 1 2 291.351 1.411 20 30 CDEDLO C=C1CC(C)(C(=O)NC2C[NH+](C[C@H]3CCCCO3)C2)C1 ZINC001030923940 729608521 /nfs/dbraw/zinc/60/85/21/729608521.db2.gz FYTMNWXXEONHHM-CQSZACIVSA-N 1 2 278.396 1.712 20 30 CDEDLO C=C(C)C[N@H+]1C[C@H](NC(=O)c2[nH]ncc2F)CC[C@@H]1C ZINC001071800594 729668270 /nfs/dbraw/zinc/66/82/70/729668270.db2.gz YOQLOPIDXBSTDH-WDEREUQCSA-N 1 2 280.347 1.708 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2[nH]ncc2F)CC[C@@H]1C ZINC001071800594 729668271 /nfs/dbraw/zinc/66/82/71/729668271.db2.gz YOQLOPIDXBSTDH-WDEREUQCSA-N 1 2 280.347 1.708 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2cc(Cl)no2)CC1 ZINC000989535186 729680163 /nfs/dbraw/zinc/68/01/63/729680163.db2.gz SURMTZBSMZRINT-UHFFFAOYSA-N 1 2 281.743 1.499 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2cc(Cl)no2)CC1 ZINC000989535186 729680164 /nfs/dbraw/zinc/68/01/64/729680164.db2.gz SURMTZBSMZRINT-UHFFFAOYSA-N 1 2 281.743 1.499 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(F)(F)F ZINC001032743965 729798480 /nfs/dbraw/zinc/79/84/80/729798480.db2.gz NVCUZQLRWSBZTM-QWRGUYRKSA-N 1 2 288.313 1.883 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(F)(F)F ZINC001032743965 729798490 /nfs/dbraw/zinc/79/84/90/729798490.db2.gz NVCUZQLRWSBZTM-QWRGUYRKSA-N 1 2 288.313 1.883 20 30 CDEDLO CC1(C)C[N@H+](Cn2cccc(C#N)c2=O)[C@@H]2COC[C@@H]21 ZINC000840152746 729807379 /nfs/dbraw/zinc/80/73/79/729807379.db2.gz INWJKUNOYXGTJW-QWHCGFSZSA-N 1 2 273.336 1.034 20 30 CDEDLO CC1(C)C[N@@H+](Cn2cccc(C#N)c2=O)[C@@H]2COC[C@@H]21 ZINC000840152746 729807381 /nfs/dbraw/zinc/80/73/81/729807381.db2.gz INWJKUNOYXGTJW-QWHCGFSZSA-N 1 2 273.336 1.034 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC1(F)F ZINC001017644932 729809219 /nfs/dbraw/zinc/80/92/19/729809219.db2.gz FFRSYRXZOSNBJE-FRRDWIJNSA-N 1 2 282.334 1.730 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC1(F)F ZINC001017644932 729809221 /nfs/dbraw/zinc/80/92/21/729809221.db2.gz FFRSYRXZOSNBJE-FRRDWIJNSA-N 1 2 282.334 1.730 20 30 CDEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1CCOC1 ZINC001038093792 729810265 /nfs/dbraw/zinc/81/02/65/729810265.db2.gz BGCDCOBUENETLZ-DLBZAZTESA-N 1 2 298.386 1.265 20 30 CDEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1CCOC1 ZINC001038093792 729810267 /nfs/dbraw/zinc/81/02/67/729810267.db2.gz BGCDCOBUENETLZ-DLBZAZTESA-N 1 2 298.386 1.265 20 30 CDEDLO Cc1ccc(C#N)cc1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000821557078 729817743 /nfs/dbraw/zinc/81/77/43/729817743.db2.gz LIEBLQSSDFTIKP-GASCZTMLSA-N 1 2 299.374 1.460 20 30 CDEDLO Cc1ccc(C#N)cc1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000821557078 729817744 /nfs/dbraw/zinc/81/77/44/729817744.db2.gz LIEBLQSSDFTIKP-GASCZTMLSA-N 1 2 299.374 1.460 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Oc1ccccc1 ZINC001032764041 729820924 /nfs/dbraw/zinc/82/09/24/729820924.db2.gz CKNGDPBXIAHVQG-ILXRZTDVSA-N 1 2 284.359 1.372 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Oc1ccccc1 ZINC001032764041 729820925 /nfs/dbraw/zinc/82/09/25/729820925.db2.gz CKNGDPBXIAHVQG-ILXRZTDVSA-N 1 2 284.359 1.372 20 30 CDEDLO O=C(C#CC1CC1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccon1 ZINC001049456476 729827479 /nfs/dbraw/zinc/82/74/79/729827479.db2.gz MHXNIPOGMFVYKB-HZPDHXFCSA-N 1 2 299.374 1.653 20 30 CDEDLO O=C(C#CC1CC1)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ccon1 ZINC001049456476 729827480 /nfs/dbraw/zinc/82/74/80/729827480.db2.gz MHXNIPOGMFVYKB-HZPDHXFCSA-N 1 2 299.374 1.653 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnn1[C@@H](C)CC ZINC001038313145 729828167 /nfs/dbraw/zinc/82/81/67/729828167.db2.gz WOYARQORPQGJQU-UONOGXRCSA-N 1 2 288.395 1.682 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnn1[C@@H](C)CC ZINC001038313145 729828168 /nfs/dbraw/zinc/82/81/68/729828168.db2.gz WOYARQORPQGJQU-UONOGXRCSA-N 1 2 288.395 1.682 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2=CCOCC2)C1 ZINC001010726944 729830220 /nfs/dbraw/zinc/83/02/20/729830220.db2.gz ONBVFZQIOYDOKM-GFCCVEGCSA-N 1 2 270.760 1.276 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2=CCOCC2)C1 ZINC001010726944 729830221 /nfs/dbraw/zinc/83/02/21/729830221.db2.gz ONBVFZQIOYDOKM-GFCCVEGCSA-N 1 2 270.760 1.276 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCNc1ncccc1C#N ZINC000847387708 729832128 /nfs/dbraw/zinc/83/21/28/729832128.db2.gz UVNCSKIVHZZVHJ-LLVKDONJSA-N 1 2 298.350 1.083 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCNc1ncccc1C#N ZINC000847387708 729832129 /nfs/dbraw/zinc/83/21/29/729832129.db2.gz UVNCSKIVHZZVHJ-LLVKDONJSA-N 1 2 298.350 1.083 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C)nc(OC)c2)C1 ZINC001043657387 729835400 /nfs/dbraw/zinc/83/54/00/729835400.db2.gz DMZBSSAQYDMHGL-UHFFFAOYSA-N 1 2 287.363 1.178 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3CCC3)C[C@@H]21 ZINC001074133140 729836837 /nfs/dbraw/zinc/83/68/37/729836837.db2.gz GPYDZBKOZPCSHP-LSDHHAIUSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CCC3)C[C@@H]21 ZINC001074133140 729836838 /nfs/dbraw/zinc/83/68/38/729836838.db2.gz GPYDZBKOZPCSHP-LSDHHAIUSA-N 1 2 276.380 1.112 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[C@H](C)C1)CCO2 ZINC001053459270 729852614 /nfs/dbraw/zinc/85/26/14/729852614.db2.gz KNDDEXRJUUGKPH-LSDHHAIUSA-N 1 2 292.423 1.912 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2oc(C)cc2C)C1 ZINC001035327557 729855807 /nfs/dbraw/zinc/85/58/07/729855807.db2.gz WIXGJYUIKXMKAR-AWEZNQCLSA-N 1 2 290.363 1.350 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2oc(C)cc2C)C1 ZINC001035327557 729855808 /nfs/dbraw/zinc/85/58/08/729855808.db2.gz WIXGJYUIKXMKAR-AWEZNQCLSA-N 1 2 290.363 1.350 20 30 CDEDLO C=C1CC(C)(C(=O)NC2C[NH+](C[C@H]3CC(C)(C)CO3)C2)C1 ZINC001030924144 729875655 /nfs/dbraw/zinc/87/56/55/729875655.db2.gz KPDQEZKOJKWMTM-CQSZACIVSA-N 1 2 292.423 1.958 20 30 CDEDLO C[C@@H]1[C@@H](C)CC[N@@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794632795 729892746 /nfs/dbraw/zinc/89/27/46/729892746.db2.gz SGEUKKTYRXHEBX-VHSXEESVSA-N 1 2 265.386 1.705 20 30 CDEDLO C[C@@H]1[C@@H](C)CC[N@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794632795 729892748 /nfs/dbraw/zinc/89/27/48/729892748.db2.gz SGEUKKTYRXHEBX-VHSXEESVSA-N 1 2 265.386 1.705 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2ncc[nH]2)CC[C@H]1C ZINC001071934491 729895457 /nfs/dbraw/zinc/89/54/57/729895457.db2.gz NGQXFUROMVWMCU-NEPJUHHUSA-N 1 2 296.802 1.674 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2ncc[nH]2)CC[C@H]1C ZINC001071934491 729895458 /nfs/dbraw/zinc/89/54/58/729895458.db2.gz NGQXFUROMVWMCU-NEPJUHHUSA-N 1 2 296.802 1.674 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(CC)nn2C)C1 ZINC001015895786 729896044 /nfs/dbraw/zinc/89/60/44/729896044.db2.gz BRMUAQHBFFFOHE-LBPRGKRZSA-N 1 2 296.802 1.539 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(CC)nn2C)C1 ZINC001015895786 729896045 /nfs/dbraw/zinc/89/60/45/729896045.db2.gz BRMUAQHBFFFOHE-LBPRGKRZSA-N 1 2 296.802 1.539 20 30 CDEDLO C#Cc1cccc(NC(=S)NCc2c[nH+]cn2C)c1 ZINC000811701699 729897946 /nfs/dbraw/zinc/89/79/46/729897946.db2.gz QGCVXPUEIHZGRL-UHFFFAOYSA-N 1 2 270.361 1.888 20 30 CDEDLO Cc1noc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H](C)C#N)n1 ZINC001024902156 729905409 /nfs/dbraw/zinc/90/54/09/729905409.db2.gz JHJFSEYKZAUDSX-ZYHUDNBSSA-N 1 2 291.355 1.008 20 30 CDEDLO C#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCO1 ZINC000775340323 729922301 /nfs/dbraw/zinc/92/23/01/729922301.db2.gz LUHGUKQAUGGRRD-CVEARBPZSA-N 1 2 295.342 1.783 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)NC[C@H]3CCCN3CC#N)ccn12 ZINC001027883941 729925051 /nfs/dbraw/zinc/92/50/51/729925051.db2.gz UNOQHPFKMNBYDH-CQSZACIVSA-N 1 2 297.362 1.361 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2ccc3c(=O)ccoc3c2)C1 ZINC001031269164 729930093 /nfs/dbraw/zinc/93/00/93/729930093.db2.gz WVXGLDCMZDYGIB-UHFFFAOYSA-N 1 2 298.342 1.783 20 30 CDEDLO C=CCC[NH+]1CC(N(C)C(=O)c2cn(C)c(C)cc2=O)C1 ZINC001042998203 729932612 /nfs/dbraw/zinc/93/26/12/729932612.db2.gz LDLFYZURMUZAQP-UHFFFAOYSA-N 1 2 289.379 1.026 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[C@H]1CCCC2 ZINC001017920552 729937674 /nfs/dbraw/zinc/93/76/74/729937674.db2.gz SYWSIPYRZFXBJL-PNBKFKSVSA-N 1 2 272.392 1.875 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[C@H]1CCCC2 ZINC001017920552 729937675 /nfs/dbraw/zinc/93/76/75/729937675.db2.gz SYWSIPYRZFXBJL-PNBKFKSVSA-N 1 2 272.392 1.875 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC)C2)CC1 ZINC001008413969 729939582 /nfs/dbraw/zinc/93/95/82/729939582.db2.gz XZSNDCANSSZPHI-CQSZACIVSA-N 1 2 293.411 1.059 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC)C2)CC1 ZINC001008413969 729939586 /nfs/dbraw/zinc/93/95/86/729939586.db2.gz XZSNDCANSSZPHI-CQSZACIVSA-N 1 2 293.411 1.059 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnc[nH]c2=O)C1 ZINC001046408866 729940242 /nfs/dbraw/zinc/94/02/42/729940242.db2.gz BRCFIVIBMGMSCX-CYBMUJFWSA-N 1 2 296.758 1.129 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnc[nH]c2=O)C1 ZINC001046408866 729940247 /nfs/dbraw/zinc/94/02/47/729940247.db2.gz BRCFIVIBMGMSCX-CYBMUJFWSA-N 1 2 296.758 1.129 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ncc(C)cc2OC)C1 ZINC001042950618 729946636 /nfs/dbraw/zinc/94/66/36/729946636.db2.gz CZFOMRCFJRGPLF-UHFFFAOYSA-N 1 2 289.379 1.731 20 30 CDEDLO CC(=[NH+]Nc1cnnn1C)c1ccc(Cl)c(N)c1 ZINC000814984311 729951296 /nfs/dbraw/zinc/95/12/96/729951296.db2.gz WSXRQVBMSXLIBO-UHFFFAOYSA-N 1 2 264.720 1.887 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccccc1C ZINC001032648373 729954369 /nfs/dbraw/zinc/95/43/69/729954369.db2.gz WMRQGWCNGLXHQF-IRXDYDNUSA-N 1 2 282.387 1.846 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccccc1C ZINC001032648373 729954370 /nfs/dbraw/zinc/95/43/70/729954370.db2.gz WMRQGWCNGLXHQF-IRXDYDNUSA-N 1 2 282.387 1.846 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cn2nc(C)c(Cl)c2C)C1 ZINC001044304835 729954992 /nfs/dbraw/zinc/95/49/92/729954992.db2.gz VTTMTEZZFWDGOF-UHFFFAOYSA-N 1 2 296.802 1.482 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CCOC2)C1 ZINC001033366672 729956102 /nfs/dbraw/zinc/95/61/02/729956102.db2.gz YMXUFSROQFLEBH-AAEUAGOBSA-N 1 2 290.766 1.400 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CCOC2)C1 ZINC001033366672 729956103 /nfs/dbraw/zinc/95/61/03/729956103.db2.gz YMXUFSROQFLEBH-AAEUAGOBSA-N 1 2 290.766 1.400 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(CC)ncnc1CC ZINC001038709588 729970950 /nfs/dbraw/zinc/97/09/50/729970950.db2.gz GICGOVWJYMKBED-LBPRGKRZSA-N 1 2 286.379 1.039 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(CC)ncnc1CC ZINC001038709588 729970953 /nfs/dbraw/zinc/97/09/53/729970953.db2.gz GICGOVWJYMKBED-LBPRGKRZSA-N 1 2 286.379 1.039 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2c(F)cccc2F)C1 ZINC001043680559 729972230 /nfs/dbraw/zinc/97/22/30/729972230.db2.gz XEDBVUFBXCQSEP-UHFFFAOYSA-N 1 2 280.318 1.836 20 30 CDEDLO CC(C)n1cnnc1C[N@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886215979 729972731 /nfs/dbraw/zinc/97/27/31/729972731.db2.gz UKFINVLBUCBDIN-CYBMUJFWSA-N 1 2 291.399 1.736 20 30 CDEDLO CC(C)n1cnnc1C[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886215979 729972732 /nfs/dbraw/zinc/97/27/32/729972732.db2.gz UKFINVLBUCBDIN-CYBMUJFWSA-N 1 2 291.399 1.736 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC001010446099 729973597 /nfs/dbraw/zinc/97/35/97/729973597.db2.gz KCXQDGKVSPRGHO-JQWIXIFHSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC001010446099 729973602 /nfs/dbraw/zinc/97/36/02/729973602.db2.gz KCXQDGKVSPRGHO-JQWIXIFHSA-N 1 2 256.777 1.976 20 30 CDEDLO Cc1ncoc1C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038173213 729978699 /nfs/dbraw/zinc/97/86/99/729978699.db2.gz MPILLOSMXXKLDG-LBPRGKRZSA-N 1 2 299.334 1.187 20 30 CDEDLO Cc1ncoc1C[N@H+]1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038173213 729978700 /nfs/dbraw/zinc/97/87/00/729978700.db2.gz MPILLOSMXXKLDG-LBPRGKRZSA-N 1 2 299.334 1.187 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCO[C@@H]1C ZINC001017762323 729980702 /nfs/dbraw/zinc/98/07/02/729980702.db2.gz YPNWOCXDIZVUTM-PNBKFKSVSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCO[C@@H]1C ZINC001017762323 729980703 /nfs/dbraw/zinc/98/07/03/729980703.db2.gz YPNWOCXDIZVUTM-PNBKFKSVSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@H]1OC ZINC001018336210 730011151 /nfs/dbraw/zinc/01/11/51/730011151.db2.gz YLYXINGLCQVLEV-QKPAOTATSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@H]1OC ZINC001018336210 730011153 /nfs/dbraw/zinc/01/11/53/730011153.db2.gz YLYXINGLCQVLEV-QKPAOTATSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2oc(C)nc21 ZINC001039064737 730042743 /nfs/dbraw/zinc/04/27/43/730042743.db2.gz VDBVIKHHCZQRBP-GFCCVEGCSA-N 1 2 283.331 1.574 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2oc(C)nc21 ZINC001039064737 730042747 /nfs/dbraw/zinc/04/27/47/730042747.db2.gz VDBVIKHHCZQRBP-GFCCVEGCSA-N 1 2 283.331 1.574 20 30 CDEDLO Cc1nc(N[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]2C)cc[nH+]1 ZINC001063733891 730056348 /nfs/dbraw/zinc/05/63/48/730056348.db2.gz DRXDTJTXZNLHHV-DOMZBBRYSA-N 1 2 298.390 1.847 20 30 CDEDLO C=CC[NH+]1CC(CNC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001032080286 730064202 /nfs/dbraw/zinc/06/42/02/730064202.db2.gz OPHYBTHNZOVHHG-UHFFFAOYSA-N 1 2 297.362 1.115 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccnc(F)c2)C1 ZINC001035308314 730314378 /nfs/dbraw/zinc/31/43/78/730314378.db2.gz WOGWAEQRWLHYLZ-ZDUSSCGKSA-N 1 2 293.342 1.227 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccnc(F)c2)C1 ZINC001035308314 730314381 /nfs/dbraw/zinc/31/43/81/730314381.db2.gz WOGWAEQRWLHYLZ-ZDUSSCGKSA-N 1 2 293.342 1.227 20 30 CDEDLO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932160449 730327749 /nfs/dbraw/zinc/32/77/49/730327749.db2.gz DQEIEXCEKPPRHU-GJZGRUSLSA-N 1 2 274.364 1.970 20 30 CDEDLO Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](C#N)C1 ZINC000932160449 730327754 /nfs/dbraw/zinc/32/77/54/730327754.db2.gz DQEIEXCEKPPRHU-GJZGRUSLSA-N 1 2 274.364 1.970 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC13CC3)O2 ZINC001053670772 730332672 /nfs/dbraw/zinc/33/26/72/730332672.db2.gz VOEGPNWQSLNYAW-UONOGXRCSA-N 1 2 290.407 1.712 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1conc1C(C)C ZINC001032442188 730351646 /nfs/dbraw/zinc/35/16/46/730351646.db2.gz MSRUXKHGJVUDDV-RYUDHWBXSA-N 1 2 275.352 1.883 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1conc1C(C)C ZINC001032442188 730351650 /nfs/dbraw/zinc/35/16/50/730351650.db2.gz MSRUXKHGJVUDDV-RYUDHWBXSA-N 1 2 275.352 1.883 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2nc3ccccc3cc2C)C1 ZINC001030700912 730354827 /nfs/dbraw/zinc/35/48/27/730354827.db2.gz FVNDFMAGHUJSSX-UHFFFAOYSA-N 1 2 293.370 1.981 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(F)(F)F ZINC001032317866 730363024 /nfs/dbraw/zinc/36/30/24/730363024.db2.gz CLLNMLPFTMTZTL-UTLUCORTSA-N 1 2 275.274 1.384 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(F)(F)F ZINC001032317866 730363027 /nfs/dbraw/zinc/36/30/27/730363027.db2.gz CLLNMLPFTMTZTL-UTLUCORTSA-N 1 2 275.274 1.384 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2n(n1)CCC2 ZINC001017603474 730370226 /nfs/dbraw/zinc/37/02/26/730370226.db2.gz PACACBLQGVJYHW-OKILXGFUSA-N 1 2 286.379 1.304 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2n(n1)CCC2 ZINC001017603474 730370228 /nfs/dbraw/zinc/37/02/28/730370228.db2.gz PACACBLQGVJYHW-OKILXGFUSA-N 1 2 286.379 1.304 20 30 CDEDLO CCCCNC(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000048706942 730371437 /nfs/dbraw/zinc/37/14/37/730371437.db2.gz SQHQZEYBHBJYBA-UHFFFAOYSA-N 1 2 263.341 1.434 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c(cn1)CCCC2 ZINC001038488855 730372304 /nfs/dbraw/zinc/37/23/04/730372304.db2.gz HUUAIWSVJREMPA-INIZCTEOSA-N 1 2 297.402 1.788 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2c(cn1)CCCC2 ZINC001038488855 730372309 /nfs/dbraw/zinc/37/23/09/730372309.db2.gz HUUAIWSVJREMPA-INIZCTEOSA-N 1 2 297.402 1.788 20 30 CDEDLO N#CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049527223 730376211 /nfs/dbraw/zinc/37/62/11/730376211.db2.gz NTMVFJKWMIYOIT-GBOPCIDUSA-N 1 2 299.378 1.102 20 30 CDEDLO N#CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049527223 730376213 /nfs/dbraw/zinc/37/62/13/730376213.db2.gz NTMVFJKWMIYOIT-GBOPCIDUSA-N 1 2 299.378 1.102 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1coc(CCC)n1 ZINC001038923325 730378823 /nfs/dbraw/zinc/37/88/23/730378823.db2.gz RQYJKHNGJQRECX-NSHDSACASA-N 1 2 261.325 1.064 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(CCC)n1 ZINC001038923325 730378827 /nfs/dbraw/zinc/37/88/27/730378827.db2.gz RQYJKHNGJQRECX-NSHDSACASA-N 1 2 261.325 1.064 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccncc1 ZINC001050789922 730381081 /nfs/dbraw/zinc/38/10/81/730381081.db2.gz MZXBOOSDGARKCZ-HNNXBMFYSA-N 1 2 289.379 1.478 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccncc1 ZINC001050789922 730381083 /nfs/dbraw/zinc/38/10/83/730381083.db2.gz MZXBOOSDGARKCZ-HNNXBMFYSA-N 1 2 289.379 1.478 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc(C)s2)[C@H]1C ZINC000993128397 730381850 /nfs/dbraw/zinc/38/18/50/730381850.db2.gz MYPZSEUFKAMOCL-PWSUYJOCSA-N 1 2 277.393 1.667 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc(C)s2)[C@H]1C ZINC000993128397 730381852 /nfs/dbraw/zinc/38/18/52/730381852.db2.gz MYPZSEUFKAMOCL-PWSUYJOCSA-N 1 2 277.393 1.667 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2c(C)ncn2C)C1 ZINC001033171571 730382506 /nfs/dbraw/zinc/38/25/06/730382506.db2.gz ZWVLOZRTZQQLCU-GFCCVEGCSA-N 1 2 296.802 1.627 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c(C)ncn2C)C1 ZINC001033171571 730382509 /nfs/dbraw/zinc/38/25/09/730382509.db2.gz ZWVLOZRTZQQLCU-GFCCVEGCSA-N 1 2 296.802 1.627 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@@H](NC(C)=O)CC[C@@H]1C ZINC001071282749 730395485 /nfs/dbraw/zinc/39/54/85/730395485.db2.gz OAQNIXCKOCDKIZ-ONGXEEELSA-N 1 2 275.190 1.884 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(C)=O)CC[C@@H]1C ZINC001071282749 730395489 /nfs/dbraw/zinc/39/54/89/730395489.db2.gz OAQNIXCKOCDKIZ-ONGXEEELSA-N 1 2 275.190 1.884 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCCCCC#N ZINC000875236700 1165712283 /nfs/dbraw/zinc/71/22/83/1165712283.db2.gz YEGAFOYSVUUHIZ-CYBMUJFWSA-N 1 2 282.388 1.090 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NCCCCC#N ZINC000875236700 1165712290 /nfs/dbraw/zinc/71/22/90/1165712290.db2.gz YEGAFOYSVUUHIZ-CYBMUJFWSA-N 1 2 282.388 1.090 20 30 CDEDLO C=C[C@@H]1C[C@@]1([NH2+][C@@H](C)CCOCC)C(=O)OCC ZINC001172418088 911645314 /nfs/dbraw/zinc/64/53/14/911645314.db2.gz BGMJYSZPFYNTTM-SCRDCRAPSA-N 1 2 255.358 1.899 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@]1(C#N)CC12CCCC2 ZINC001566188850 1168249373 /nfs/dbraw/zinc/24/93/73/1168249373.db2.gz MGLZEZNDBBUUCU-CQSZACIVSA-N 1 2 258.325 1.808 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cccc3nc[nH]c32)[C@H]1C ZINC001088935382 912325756 /nfs/dbraw/zinc/32/57/56/912325756.db2.gz CEFQVOQXYFBXLH-OCCSQVGLSA-N 1 2 296.374 1.779 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2cccc3nc[nH]c32)[C@H]1C ZINC001088935382 912325777 /nfs/dbraw/zinc/32/57/77/912325777.db2.gz CEFQVOQXYFBXLH-OCCSQVGLSA-N 1 2 296.374 1.779 20 30 CDEDLO N#CC1([NH2+][C@H]2CCC[C@@H](n3ncnn3)C2)CCCCC1 ZINC001173743815 912778017 /nfs/dbraw/zinc/77/80/17/912778017.db2.gz RGQVLYHUBUGNAG-QWHCGFSZSA-N 1 2 274.372 1.973 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccccc2-n2cccn2)C1 ZINC001031011001 913389227 /nfs/dbraw/zinc/38/92/27/913389227.db2.gz WBRZGCMQESLGAY-UHFFFAOYSA-N 1 2 296.374 1.862 20 30 CDEDLO N#Cc1ccc(CC[N@@H+]2Cc3cncnc3C2)cc1 ZINC001208921098 894397124 /nfs/dbraw/zinc/39/71/24/894397124.db2.gz ZCAGXWKZGDXCLD-UHFFFAOYSA-N 1 2 250.305 1.907 20 30 CDEDLO N#Cc1ccc(CC[N@H+]2Cc3cncnc3C2)cc1 ZINC001208921098 894397143 /nfs/dbraw/zinc/39/71/43/894397143.db2.gz ZCAGXWKZGDXCLD-UHFFFAOYSA-N 1 2 250.305 1.907 20 30 CDEDLO NC(Cc1cccnc1)=[NH+]OCc1noc(C2CC2)n1 ZINC000092914466 896439972 /nfs/dbraw/zinc/43/99/72/896439972.db2.gz YQPRLFPEDCDIEG-UHFFFAOYSA-N 1 2 273.296 1.374 20 30 CDEDLO Cc1nc[nH]c1C[NH+]1CCN(c2cccc(C#N)c2)CC1 ZINC001204592606 896941010 /nfs/dbraw/zinc/94/10/10/896941010.db2.gz OBAVKVXRYQTAJT-UHFFFAOYSA-N 1 2 281.363 1.912 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(NC(=O)CC)c1 ZINC001038318955 898368660 /nfs/dbraw/zinc/36/86/60/898368660.db2.gz VHABWURFAIPPDE-HNNXBMFYSA-N 1 2 299.374 1.472 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(NC(=O)CC)c1 ZINC001038318955 898368675 /nfs/dbraw/zinc/36/86/75/898368675.db2.gz VHABWURFAIPPDE-HNNXBMFYSA-N 1 2 299.374 1.472 20 30 CDEDLO O=C(CCn1cc[nH+]c1)N/C=C/C(=O)C(F)(F)F ZINC001176884138 914335567 /nfs/dbraw/zinc/33/55/67/914335567.db2.gz XRLYTWHHDYIVNP-HNQUOIGGSA-N 1 2 261.203 1.035 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2sccc2C)[C@@H](O)C1 ZINC001083312961 900848918 /nfs/dbraw/zinc/84/89/18/900848918.db2.gz MPXXRODQABQECD-MNOVXSKESA-N 1 2 266.366 1.017 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2sccc2C)[C@@H](O)C1 ZINC001083312961 900848921 /nfs/dbraw/zinc/84/89/21/900848921.db2.gz MPXXRODQABQECD-MNOVXSKESA-N 1 2 266.366 1.017 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc(C)sc1C ZINC001038392472 902194881 /nfs/dbraw/zinc/19/48/81/902194881.db2.gz ATXCHFIJPDPAQE-GFCCVEGCSA-N 1 2 277.393 1.587 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1nc(C)sc1C ZINC001038392472 902194888 /nfs/dbraw/zinc/19/48/88/902194888.db2.gz ATXCHFIJPDPAQE-GFCCVEGCSA-N 1 2 277.393 1.587 20 30 CDEDLO C=C(Cl)C(C)(C)C(=O)NCC[NH2+]Cc1nncs1 ZINC001128190152 921159065 /nfs/dbraw/zinc/15/90/65/921159065.db2.gz KVTUBTZHWRCNGL-UHFFFAOYSA-N 1 2 288.804 1.523 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)COC(C)C ZINC001271977035 907060542 /nfs/dbraw/zinc/06/05/42/907060542.db2.gz HJSVHLMIXOJAMB-UHFFFAOYSA-N 1 2 262.781 1.554 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)COC(C)C ZINC001271977035 907060554 /nfs/dbraw/zinc/06/05/54/907060554.db2.gz HJSVHLMIXOJAMB-UHFFFAOYSA-N 1 2 262.781 1.554 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nc([C@H](C)OC)no1 ZINC001128405412 921295500 /nfs/dbraw/zinc/29/55/00/921295500.db2.gz YFOFNVAPGBNNAH-NSHDSACASA-N 1 2 296.371 1.339 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001482586141 907426139 /nfs/dbraw/zinc/42/61/39/907426139.db2.gz GQJRUQSEGUJYFY-ZDUSSCGKSA-N 1 2 284.363 1.608 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001482586141 907426145 /nfs/dbraw/zinc/42/61/45/907426145.db2.gz GQJRUQSEGUJYFY-ZDUSSCGKSA-N 1 2 284.363 1.608 20 30 CDEDLO CC(C)[C@H](NC(=O)CO[NH+]=C(N)CCO)c1ccccc1 ZINC000121362199 921330889 /nfs/dbraw/zinc/33/08/89/921330889.db2.gz NEXCUVHNYZFRPX-HNNXBMFYSA-N 1 2 293.367 1.171 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cc(C)n[nH]2)[C@H]1C ZINC001088518349 907590020 /nfs/dbraw/zinc/59/00/20/907590020.db2.gz ZTCAMBLNVNMUMU-YPMHNXCESA-N 1 2 296.802 1.592 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cc(C)n[nH]2)[C@H]1C ZINC001088518349 907590028 /nfs/dbraw/zinc/59/00/28/907590028.db2.gz ZTCAMBLNVNMUMU-YPMHNXCESA-N 1 2 296.802 1.592 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cc(C)[nH]n2)[C@H]1C ZINC001088518349 907590039 /nfs/dbraw/zinc/59/00/39/907590039.db2.gz ZTCAMBLNVNMUMU-YPMHNXCESA-N 1 2 296.802 1.592 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cc(C)[nH]n2)[C@H]1C ZINC001088518349 907590052 /nfs/dbraw/zinc/59/00/52/907590052.db2.gz ZTCAMBLNVNMUMU-YPMHNXCESA-N 1 2 296.802 1.592 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2nc(C)no2)C1 ZINC001189269919 921416547 /nfs/dbraw/zinc/41/65/47/921416547.db2.gz MSDMQWHAIHKPOR-DGCLKSJQSA-N 1 2 292.383 1.938 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2nc(C)no2)C1 ZINC001189269919 921416552 /nfs/dbraw/zinc/41/65/52/921416552.db2.gz MSDMQWHAIHKPOR-DGCLKSJQSA-N 1 2 292.383 1.938 20 30 CDEDLO C=C(C)C(=O)N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001142512344 908835831 /nfs/dbraw/zinc/83/58/31/908835831.db2.gz TYNMTJQMGVUMPM-UHFFFAOYSA-N 1 2 291.399 1.427 20 30 CDEDLO C=C(C)C(=O)N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001142512344 908835850 /nfs/dbraw/zinc/83/58/50/908835850.db2.gz TYNMTJQMGVUMPM-UHFFFAOYSA-N 1 2 291.399 1.427 20 30 CDEDLO N#CCc1ccc(NCC2CCS(=O)(=O)CC2)[nH+]c1 ZINC001168294784 908917755 /nfs/dbraw/zinc/91/77/55/908917755.db2.gz XYBHGNZELDUJHC-UHFFFAOYSA-N 1 2 279.365 1.384 20 30 CDEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[C@@H]1C)c1nccn12 ZINC001092389216 909387801 /nfs/dbraw/zinc/38/78/01/909387801.db2.gz PPIQIJODBDVHAS-MELADBBJSA-N 1 2 298.390 1.134 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)oc3ccccc32)[C@@H](O)C1 ZINC001083486443 909420584 /nfs/dbraw/zinc/42/05/84/909420584.db2.gz ZRWQCPQGASTCMW-KGLIPLIRSA-N 1 2 298.342 1.149 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)oc3ccccc32)[C@@H](O)C1 ZINC001083486443 909420597 /nfs/dbraw/zinc/42/05/97/909420597.db2.gz ZRWQCPQGASTCMW-KGLIPLIRSA-N 1 2 298.342 1.149 20 30 CDEDLO C[C@@H]([NH2+]CCNC(=O)C#CC1CC1)c1nc(C2CC2)no1 ZINC001126885193 909540290 /nfs/dbraw/zinc/54/02/90/909540290.db2.gz COLYKRJWYRJBIT-SNVBAGLBSA-N 1 2 288.351 1.127 20 30 CDEDLO Cc1noc([C@@H](C)[NH2+]CCNC(=O)C#CC(C)(C)C)n1 ZINC001126907297 909683960 /nfs/dbraw/zinc/68/39/60/909683960.db2.gz KHVSNCYEDZPFOR-SNVBAGLBSA-N 1 2 278.356 1.194 20 30 CDEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001093515229 909891729 /nfs/dbraw/zinc/89/17/29/909891729.db2.gz RTVVUHMMQTYSTD-CYBMUJFWSA-N 1 2 291.395 1.414 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccoc3)CC2)C1 ZINC001093504071 909925164 /nfs/dbraw/zinc/92/51/64/909925164.db2.gz NJVLUGFMSGLCTC-UHFFFAOYSA-N 1 2 290.363 1.771 20 30 CDEDLO C#CCCCC(=O)NCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001093581034 909984712 /nfs/dbraw/zinc/98/47/12/909984712.db2.gz WKKQUDWCEVGZHF-UHFFFAOYSA-N 1 2 286.379 1.994 20 30 CDEDLO C=CCCCC(=O)NCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001094078483 910316360 /nfs/dbraw/zinc/31/63/60/910316360.db2.gz VYSIYVHOGKWRHH-UHFFFAOYSA-N 1 2 292.387 1.130 20 30 CDEDLO C=CCCO[C@H](C)C(=O)OCc1ccc[nH+]c1N ZINC000922390636 921576680 /nfs/dbraw/zinc/57/66/80/921576680.db2.gz VIWDYRSVMVHART-SNVBAGLBSA-N 1 2 250.298 1.688 20 30 CDEDLO C[C@@H](O)[C@H]([NH2+][C@H](C)CCCC#N)C(=O)OC(C)(C)C ZINC001172486071 911687695 /nfs/dbraw/zinc/68/76/95/911687695.db2.gz YOGQNZVDJBMWLP-UTUOFQBUSA-N 1 2 270.373 1.749 20 30 CDEDLO N#C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC001178100531 915168605 /nfs/dbraw/zinc/16/86/05/915168605.db2.gz XANHKLKOCNKSRX-KBPBESRZSA-N 1 2 280.331 1.827 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(=C)Cl)[C@H](OC)C1 ZINC001212337315 916007948 /nfs/dbraw/zinc/00/79/48/916007948.db2.gz HVVPRBLCAFZEQN-VXGBXAGGSA-N 1 2 284.787 1.214 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C(=C)Cl)[C@H](OC)C1 ZINC001212337315 916007967 /nfs/dbraw/zinc/00/79/67/916007967.db2.gz HVVPRBLCAFZEQN-VXGBXAGGSA-N 1 2 284.787 1.214 20 30 CDEDLO C=CCOCCCC(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001125261575 936360194 /nfs/dbraw/zinc/36/01/94/936360194.db2.gz XKHDTNQYNWCGAX-LLVKDONJSA-N 1 2 296.371 1.128 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc(C)ncn1 ZINC001485296683 916776849 /nfs/dbraw/zinc/77/68/49/916776849.db2.gz REIAKSZVUBTQRQ-NSHDSACASA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(C)ncn1 ZINC001485296683 916776857 /nfs/dbraw/zinc/77/68/57/916776857.db2.gz REIAKSZVUBTQRQ-NSHDSACASA-N 1 2 282.775 1.588 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001181511089 917115549 /nfs/dbraw/zinc/11/55/49/917115549.db2.gz ISDDKUKTFGBXAB-LLVKDONJSA-N 1 2 264.329 1.035 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([NH2+]Cc2nn(C)cc2Cl)C1 ZINC001181535020 917132535 /nfs/dbraw/zinc/13/25/35/917132535.db2.gz KVBMJJLDLFCJHQ-LLVKDONJSA-N 1 2 296.802 1.730 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001124487896 917396357 /nfs/dbraw/zinc/39/63/57/917396357.db2.gz HZDOZCAKHKASQZ-WDEREUQCSA-N 1 2 298.412 1.286 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1CC(F)(F)C1)CO2 ZINC001053771452 936420738 /nfs/dbraw/zinc/42/07/38/936420738.db2.gz MJXFVJUAHMRRCE-LBPRGKRZSA-N 1 2 298.333 1.015 20 30 CDEDLO C[C@H]1CN(CC#N)CC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000942183982 917532263 /nfs/dbraw/zinc/53/22/63/917532263.db2.gz PPQVSSKDVSRJAQ-AAEUAGOBSA-N 1 2 297.362 1.527 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cncnc3)cc2C1 ZINC001054262304 936433867 /nfs/dbraw/zinc/43/38/67/936433867.db2.gz UVTWITLBAWLEDX-UHFFFAOYSA-N 1 2 292.342 1.355 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cncnc3)cc2C1 ZINC001054262304 936433868 /nfs/dbraw/zinc/43/38/68/936433868.db2.gz UVTWITLBAWLEDX-UHFFFAOYSA-N 1 2 292.342 1.355 20 30 CDEDLO COc1ccc(C#CC(=O)Nc2cc[nH+]c3c2CCC3)cc1 ZINC001182045035 917604814 /nfs/dbraw/zinc/60/48/14/917604814.db2.gz FQDGDOIEMPMWEQ-UHFFFAOYSA-N 1 2 292.338 1.991 20 30 CDEDLO C#CC(C)(C)C(=O)Nc1[nH+]cnc2[nH]cc(C(=O)OC)c21 ZINC001182635855 917995195 /nfs/dbraw/zinc/99/51/95/917995195.db2.gz KQPKVOVOMSQUBR-UHFFFAOYSA-N 1 2 286.291 1.342 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)Nc1ccc(C#N)cn1 ZINC001097975270 936485293 /nfs/dbraw/zinc/48/52/93/936485293.db2.gz NYSAODXENXSYCU-JTQLQIEISA-N 1 2 298.350 1.144 20 30 CDEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C3(CC)CC3)nn2)C1 ZINC001107205825 918268881 /nfs/dbraw/zinc/26/88/81/918268881.db2.gz FVRXTTMYLJFHKZ-UHFFFAOYSA-N 1 2 289.383 1.127 20 30 CDEDLO C=C(C)CC[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127737242 918276553 /nfs/dbraw/zinc/27/65/53/918276553.db2.gz NDUOFWVFHUDPMO-QMMMGPOBSA-N 1 2 256.243 1.559 20 30 CDEDLO C=C(C)CC[NH2+]CCNC(=O)[C@H](F)C(F)(F)F ZINC001127737242 918276566 /nfs/dbraw/zinc/27/65/66/918276566.db2.gz NDUOFWVFHUDPMO-QMMMGPOBSA-N 1 2 256.243 1.559 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2n[nH]c(C)c2C)C1 ZINC001107830255 918846553 /nfs/dbraw/zinc/84/65/53/918846553.db2.gz IPCULQIOQWHQRB-OAHLLOKOSA-N 1 2 292.383 1.033 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2n[nH]c(C)c2C)C1 ZINC001107830255 918846572 /nfs/dbraw/zinc/84/65/72/918846572.db2.gz IPCULQIOQWHQRB-OAHLLOKOSA-N 1 2 292.383 1.033 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cnccc2C)C1 ZINC001107838101 918854391 /nfs/dbraw/zinc/85/43/91/918854391.db2.gz UKIVZGREYSBLJM-MRXNPFEDSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cnccc2C)C1 ZINC001107838101 918854408 /nfs/dbraw/zinc/85/44/08/918854408.db2.gz UKIVZGREYSBLJM-MRXNPFEDSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc[nH]c2C)C1 ZINC001107856975 918898079 /nfs/dbraw/zinc/89/80/79/918898079.db2.gz JSANZZSGYDKPPZ-OAHLLOKOSA-N 1 2 277.368 1.330 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc[nH]c2C)C1 ZINC001107856975 918898093 /nfs/dbraw/zinc/89/80/93/918898093.db2.gz JSANZZSGYDKPPZ-OAHLLOKOSA-N 1 2 277.368 1.330 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC2(C)C)C1 ZINC001107876223 918961869 /nfs/dbraw/zinc/96/18/69/918961869.db2.gz HYEIAURMCVPFNJ-CZUORRHYSA-N 1 2 278.396 1.263 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC2(C)C)C1 ZINC001107876223 918961885 /nfs/dbraw/zinc/96/18/85/918961885.db2.gz HYEIAURMCVPFNJ-CZUORRHYSA-N 1 2 278.396 1.263 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)SC)C1 ZINC001107875377 918962093 /nfs/dbraw/zinc/96/20/93/918962093.db2.gz XSXHGTBDVIKKDF-UKRRQHHQSA-N 1 2 298.452 1.358 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)SC)C1 ZINC001107875377 918962105 /nfs/dbraw/zinc/96/21/05/918962105.db2.gz XSXHGTBDVIKKDF-UKRRQHHQSA-N 1 2 298.452 1.358 20 30 CDEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)C(C)C)C2)CC1 ZINC001052093842 936575941 /nfs/dbraw/zinc/57/59/41/936575941.db2.gz QGVJOHOVSJGOPA-CVEARBPZSA-N 1 2 291.439 1.130 20 30 CDEDLO C=C(C)CN1C[C@@]2(CC[N@H+](Cc3ncco3)C2)OCC1=O ZINC001272802005 919319430 /nfs/dbraw/zinc/31/94/30/919319430.db2.gz KMCGQPSSSVJZBS-HNNXBMFYSA-N 1 2 291.351 1.054 20 30 CDEDLO C=C(C)CN1C[C@@]2(CC[N@@H+](Cc3ncco3)C2)OCC1=O ZINC001272802005 919319446 /nfs/dbraw/zinc/31/94/46/919319446.db2.gz KMCGQPSSSVJZBS-HNNXBMFYSA-N 1 2 291.351 1.054 20 30 CDEDLO C#CCN1CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC001138865347 936576463 /nfs/dbraw/zinc/57/64/63/936576463.db2.gz FLDXSFMSMYJLIW-UHFFFAOYSA-N 1 2 266.348 1.381 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnc3ccccc3n2)CC1 ZINC001138865347 936576465 /nfs/dbraw/zinc/57/64/65/936576465.db2.gz FLDXSFMSMYJLIW-UHFFFAOYSA-N 1 2 266.348 1.381 20 30 CDEDLO N#Cc1cnn2c1[nH]c(=O)cc2Nc1ccc[nH+]c1N ZINC001212391297 919484916 /nfs/dbraw/zinc/48/49/16/919484916.db2.gz KZTSFKKETOKYDX-UHFFFAOYSA-N 1 2 267.252 1.027 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(Cl)nc2F)CC1 ZINC001137477986 936606472 /nfs/dbraw/zinc/60/64/72/936606472.db2.gz PVHZDRHFNCRYTP-UHFFFAOYSA-N 1 2 267.735 1.625 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001108005174 919933102 /nfs/dbraw/zinc/93/31/02/919933102.db2.gz MLVWHBMWDFPTLT-IJEWVQPXSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001108005174 919933118 /nfs/dbraw/zinc/93/31/18/919933118.db2.gz MLVWHBMWDFPTLT-IJEWVQPXSA-N 1 2 296.411 1.195 20 30 CDEDLO N#Cc1cccc2c(C[NH+]3CC4(C3)CS(=O)C4)c[nH]c21 ZINC001139702615 936638088 /nfs/dbraw/zinc/63/80/88/936638088.db2.gz DWQPQXXXIDUPEN-UHFFFAOYSA-N 1 2 285.372 1.604 20 30 CDEDLO N#C[C@H]1C[C@H]1C(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001186977483 920279397 /nfs/dbraw/zinc/27/93/97/920279397.db2.gz TUIZVVVLIZGXAY-UTUOFQBUSA-N 1 2 283.322 1.478 20 30 CDEDLO C=CCn1cc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)cn1 ZINC001139768282 936644973 /nfs/dbraw/zinc/64/49/73/936644973.db2.gz MKMXPLFDGDGGKB-NSHDSACASA-N 1 2 275.274 1.568 20 30 CDEDLO C=CCn1cc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cn1 ZINC001139768282 936644975 /nfs/dbraw/zinc/64/49/75/936644975.db2.gz MKMXPLFDGDGGKB-NSHDSACASA-N 1 2 275.274 1.568 20 30 CDEDLO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](C#N)C2)cc1 ZINC001139777382 936646242 /nfs/dbraw/zinc/64/62/42/936646242.db2.gz JCJHOPGYXMKKPH-CYBMUJFWSA-N 1 2 274.320 1.584 20 30 CDEDLO COC(=O)COc1ccc(C[N@H+]2CC[C@H](C#N)C2)cc1 ZINC001139777382 936646243 /nfs/dbraw/zinc/64/62/43/936646243.db2.gz JCJHOPGYXMKKPH-CYBMUJFWSA-N 1 2 274.320 1.584 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nccn3C)C[C@H]21 ZINC001187191482 920398086 /nfs/dbraw/zinc/39/80/86/920398086.db2.gz JSNXMUOEIFMUPI-UONOGXRCSA-N 1 2 288.395 1.419 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](Cc3nccn3C)C[C@H]21 ZINC001187191482 920398101 /nfs/dbraw/zinc/39/81/01/920398101.db2.gz JSNXMUOEIFMUPI-UONOGXRCSA-N 1 2 288.395 1.419 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(C#N)c1 ZINC001139875702 936655288 /nfs/dbraw/zinc/65/52/88/936655288.db2.gz ARRLYCFHEOEOFJ-AWEZNQCLSA-N 1 2 275.327 1.750 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cc(F)cc(C#N)c1 ZINC001139875702 936655290 /nfs/dbraw/zinc/65/52/90/936655290.db2.gz ARRLYCFHEOEOFJ-AWEZNQCLSA-N 1 2 275.327 1.750 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCc2ccon2)C1 ZINC001108073733 921874459 /nfs/dbraw/zinc/87/44/59/921874459.db2.gz RFTPCMXMHFGQFX-OAHLLOKOSA-N 1 2 293.367 1.000 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCc2ccon2)C1 ZINC001108073733 921874468 /nfs/dbraw/zinc/87/44/68/921874468.db2.gz RFTPCMXMHFGQFX-OAHLLOKOSA-N 1 2 293.367 1.000 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2scnc2CC)C1 ZINC001033134490 921895384 /nfs/dbraw/zinc/89/53/84/921895384.db2.gz WURVIXTUGDZOHN-LLVKDONJSA-N 1 2 277.393 1.485 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2scnc2CC)C1 ZINC001033134490 921895394 /nfs/dbraw/zinc/89/53/94/921895394.db2.gz WURVIXTUGDZOHN-LLVKDONJSA-N 1 2 277.393 1.485 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(C)CCCC2)C1 ZINC001108107194 922186654 /nfs/dbraw/zinc/18/66/54/922186654.db2.gz SKOHAUGCBLZXCZ-QGZVFWFLSA-N 1 2 292.423 1.797 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2(C)CCCC2)C1 ZINC001108107194 922186670 /nfs/dbraw/zinc/18/66/70/922186670.db2.gz SKOHAUGCBLZXCZ-QGZVFWFLSA-N 1 2 292.423 1.797 20 30 CDEDLO N#CCCN1CC[NH+](Cc2scc3c2OCCO3)CC1 ZINC001143187304 922359088 /nfs/dbraw/zinc/35/90/88/922359088.db2.gz NDRWAWCEITWIGX-UHFFFAOYSA-N 1 2 293.392 1.551 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3cc(F)c(C#N)c(F)c3)C[C@H]21 ZINC001140752721 936750418 /nfs/dbraw/zinc/75/04/18/936750418.db2.gz ZZXYEXBTIPLVSZ-CABCVRRESA-N 1 2 293.317 1.351 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3cc(F)c(C#N)c(F)c3)C[C@H]21 ZINC001140752721 936750420 /nfs/dbraw/zinc/75/04/20/936750420.db2.gz ZZXYEXBTIPLVSZ-CABCVRRESA-N 1 2 293.317 1.351 20 30 CDEDLO N#Cc1cc2ccc(-n3[nH]c(=O)nc3C[NH3+])cc2cc1C#N ZINC001168761520 923282883 /nfs/dbraw/zinc/28/28/83/923282883.db2.gz RDXURVABEVNRLJ-UHFFFAOYSA-N 1 2 290.286 1.328 20 30 CDEDLO C[C@H](C#N)S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001193097273 923473664 /nfs/dbraw/zinc/47/36/64/923473664.db2.gz HUMDHVQMOBNDHA-SNVBAGLBSA-N 1 2 276.321 1.526 20 30 CDEDLO C[C@@H](C#N)S(=O)(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC001193146746 923491941 /nfs/dbraw/zinc/49/19/41/923491941.db2.gz SGXZQACBJGWJHD-NSHDSACASA-N 1 2 290.348 1.585 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CC2=CCOCC2)C1 ZINC001108188166 924014702 /nfs/dbraw/zinc/01/47/02/924014702.db2.gz RDXZMQMXUBADBM-MRXNPFEDSA-N 1 2 294.395 1.116 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CC2=CCOCC2)C1 ZINC001108188166 924014713 /nfs/dbraw/zinc/01/47/13/924014713.db2.gz RDXZMQMXUBADBM-MRXNPFEDSA-N 1 2 294.395 1.116 20 30 CDEDLO C=CCOC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC001194338190 924188282 /nfs/dbraw/zinc/18/82/82/924188282.db2.gz JCEPPAPDXLCHMK-UHFFFAOYSA-N 1 2 261.325 1.963 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)CCCCCC)C1 ZINC001195272317 924518333 /nfs/dbraw/zinc/51/83/33/924518333.db2.gz SGDCJJSFXSTWPR-ARFHVFGLSA-N 1 2 294.439 1.778 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)CCCCCC)C1 ZINC001195272317 924518339 /nfs/dbraw/zinc/51/83/39/924518339.db2.gz SGDCJJSFXSTWPR-ARFHVFGLSA-N 1 2 294.439 1.778 20 30 CDEDLO COCC[NH+]1CCN(C(=O)c2cc(C)cc(C#N)c2)CC1 ZINC001195411857 924583653 /nfs/dbraw/zinc/58/36/53/924583653.db2.gz RPVUAWSGIXNQPP-UHFFFAOYSA-N 1 2 287.363 1.271 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nccc2C)C1 ZINC001080532893 924590264 /nfs/dbraw/zinc/59/02/64/924590264.db2.gz CNAFXDAEYQWXAE-ZWNOBZJWSA-N 1 2 296.802 1.381 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nccc2C)C1 ZINC001080532893 924590267 /nfs/dbraw/zinc/59/02/67/924590267.db2.gz CNAFXDAEYQWXAE-ZWNOBZJWSA-N 1 2 296.802 1.381 20 30 CDEDLO CC(C)C#CC(=O)N1CCC[N@H+](Cc2ccns2)CC1 ZINC001195781257 924728029 /nfs/dbraw/zinc/72/80/29/924728029.db2.gz RZUKVHQWTPGNNO-UHFFFAOYSA-N 1 2 291.420 1.837 20 30 CDEDLO CC(C)C#CC(=O)N1CCC[N@@H+](Cc2ccns2)CC1 ZINC001195781257 924728039 /nfs/dbraw/zinc/72/80/39/924728039.db2.gz RZUKVHQWTPGNNO-UHFFFAOYSA-N 1 2 291.420 1.837 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2csc(C)c2C)[C@H](OC)C1 ZINC001081728275 924784563 /nfs/dbraw/zinc/78/45/63/924784563.db2.gz CRPFJNWRVATJJB-ZIAGYGMSSA-N 1 2 292.404 1.427 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2csc(C)c2C)[C@H](OC)C1 ZINC001081728275 924784570 /nfs/dbraw/zinc/78/45/70/924784570.db2.gz CRPFJNWRVATJJB-ZIAGYGMSSA-N 1 2 292.404 1.427 20 30 CDEDLO Cc1cccc2c1ncnc2N1CC[NH2+]C[C@H]1C#N ZINC001164641464 924960184 /nfs/dbraw/zinc/96/01/84/924960184.db2.gz LQQBIDUVZXHTSP-LLVKDONJSA-N 1 2 253.309 1.240 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn[nH]c3)[C@@H]2C1 ZINC001084206830 925185454 /nfs/dbraw/zinc/18/54/54/925185454.db2.gz WOCBYSCONHSRKE-ZYHUDNBSSA-N 1 2 280.759 1.309 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cn[nH]c3)[C@@H]2C1 ZINC001084206830 925185460 /nfs/dbraw/zinc/18/54/60/925185460.db2.gz WOCBYSCONHSRKE-ZYHUDNBSSA-N 1 2 280.759 1.309 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2ccnc(F)c2)C1=O ZINC001273223878 925321880 /nfs/dbraw/zinc/32/18/80/925321880.db2.gz QLNAZLFHMRRCRF-MRXNPFEDSA-N 1 2 287.338 1.421 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2ccnc(F)c2)C1=O ZINC001273223878 925321891 /nfs/dbraw/zinc/32/18/91/925321891.db2.gz QLNAZLFHMRRCRF-MRXNPFEDSA-N 1 2 287.338 1.421 20 30 CDEDLO CCC[C@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001231313129 925701786 /nfs/dbraw/zinc/70/17/86/925701786.db2.gz VZEDTAQRDCHHBO-LSDHHAIUSA-N 1 2 280.412 1.605 20 30 CDEDLO CCC[C@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001231313129 925701792 /nfs/dbraw/zinc/70/17/92/925701792.db2.gz VZEDTAQRDCHHBO-LSDHHAIUSA-N 1 2 280.412 1.605 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2nccn2CC2CC2)CC1 ZINC001199450404 925725646 /nfs/dbraw/zinc/72/56/46/925725646.db2.gz DJWKBOKSNMTQNN-UHFFFAOYSA-N 1 2 274.368 1.237 20 30 CDEDLO Cc1nc(NCCN(C)C(=O)Cc2c[nH+]c[nH]2)ccc1C#N ZINC001101975643 937033377 /nfs/dbraw/zinc/03/33/77/937033377.db2.gz LLCZADVEUXFBRH-UHFFFAOYSA-N 1 2 298.350 1.098 20 30 CDEDLO N#Cc1ccc(NC(=O)[C@@H]2CC3CC[NH+]2CC3)c(O)c1 ZINC001142632562 937042735 /nfs/dbraw/zinc/04/27/35/937042735.db2.gz MMFWZXVIVFLLBR-ZDUSSCGKSA-N 1 2 271.320 1.687 20 30 CDEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001110553461 926076584 /nfs/dbraw/zinc/07/65/84/926076584.db2.gz QLRWCGKMWQGOGJ-MCIONIFRSA-N 1 2 296.798 1.500 20 30 CDEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001110553461 926076589 /nfs/dbraw/zinc/07/65/89/926076589.db2.gz QLRWCGKMWQGOGJ-MCIONIFRSA-N 1 2 296.798 1.500 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cscc1C ZINC001085536368 926125015 /nfs/dbraw/zinc/12/50/15/926125015.db2.gz ZZLRPVUGMPTYNI-GFCCVEGCSA-N 1 2 262.378 1.836 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cscc1C ZINC001085536368 926125017 /nfs/dbraw/zinc/12/50/17/926125017.db2.gz ZZLRPVUGMPTYNI-GFCCVEGCSA-N 1 2 262.378 1.836 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1coc(CC)n1 ZINC001085554929 926140667 /nfs/dbraw/zinc/14/06/67/926140667.db2.gz ISWUYGOBNYEUNS-NSHDSACASA-N 1 2 261.325 1.017 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1coc(CC)n1 ZINC001085554929 926140676 /nfs/dbraw/zinc/14/06/76/926140676.db2.gz ISWUYGOBNYEUNS-NSHDSACASA-N 1 2 261.325 1.017 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(Cl)cnn1C ZINC001085599036 926202327 /nfs/dbraw/zinc/20/23/27/926202327.db2.gz GTYGFDBTGHPBGA-LLVKDONJSA-N 1 2 294.786 1.243 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(Cl)cnn1C ZINC001085599036 926202335 /nfs/dbraw/zinc/20/23/35/926202335.db2.gz GTYGFDBTGHPBGA-LLVKDONJSA-N 1 2 294.786 1.243 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nc2c(s1)CCC2 ZINC001085723300 926331705 /nfs/dbraw/zinc/33/17/05/926331705.db2.gz UCLQHYYDEYBBSS-NSHDSACASA-N 1 2 291.420 1.964 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nc2c(s1)CCC2 ZINC001085723300 926331714 /nfs/dbraw/zinc/33/17/14/926331714.db2.gz UCLQHYYDEYBBSS-NSHDSACASA-N 1 2 291.420 1.964 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nc(CC)oc1C ZINC001085868348 926463429 /nfs/dbraw/zinc/46/34/29/926463429.db2.gz NKWJNOQFLFBUDB-GFCCVEGCSA-N 1 2 275.352 1.325 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nc(CC)oc1C ZINC001085868348 926463431 /nfs/dbraw/zinc/46/34/31/926463431.db2.gz NKWJNOQFLFBUDB-GFCCVEGCSA-N 1 2 275.352 1.325 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]c(C)cc1=O ZINC001085906432 926492179 /nfs/dbraw/zinc/49/21/79/926492179.db2.gz IPTURUHCNVIEGO-LBPRGKRZSA-N 1 2 275.352 1.016 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]c(C)cc1=O ZINC001085906432 926492182 /nfs/dbraw/zinc/49/21/82/926492182.db2.gz IPTURUHCNVIEGO-LBPRGKRZSA-N 1 2 275.352 1.016 20 30 CDEDLO CC(=O)[C@@H]1C[N@H+](Cc2c[nH]c3cc(C#N)ccc23)CCO1 ZINC001142930915 937095224 /nfs/dbraw/zinc/09/52/24/937095224.db2.gz NPFAVCZIOJZOMM-INIZCTEOSA-N 1 2 283.331 1.829 20 30 CDEDLO CC(=O)[C@@H]1C[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)CCO1 ZINC001142930915 937095225 /nfs/dbraw/zinc/09/52/25/937095225.db2.gz NPFAVCZIOJZOMM-INIZCTEOSA-N 1 2 283.331 1.829 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586384 927747642 /nfs/dbraw/zinc/74/76/42/927747642.db2.gz OAKMSJGQVJRQJS-GWCFXTLKSA-N 1 2 263.297 1.862 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586384 927747655 /nfs/dbraw/zinc/74/76/55/927747655.db2.gz OAKMSJGQVJRQJS-GWCFXTLKSA-N 1 2 263.297 1.862 20 30 CDEDLO C[C@@H](CNc1ccc(C#N)nc1)NC(=O)CCn1cc[nH+]c1 ZINC001108624393 928573452 /nfs/dbraw/zinc/57/34/52/928573452.db2.gz NQGWLSFUVQVONZ-LBPRGKRZSA-N 1 2 298.350 1.157 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2cccnc2)CC1 ZINC001112597252 929223068 /nfs/dbraw/zinc/22/30/68/929223068.db2.gz NUWDHAVKNPCJNY-UHFFFAOYSA-N 1 2 275.352 1.042 20 30 CDEDLO C=CCCC[NH+]1CCN(C(=O)c2cnns2)CC1 ZINC001112649916 929295409 /nfs/dbraw/zinc/29/54/09/929295409.db2.gz ZMHKEVCGWKCJHE-UHFFFAOYSA-N 1 2 266.370 1.262 20 30 CDEDLO CC(C)C#CC(=O)N1CC[NH+](CCOC2CCC2)CC1 ZINC001112833099 929468768 /nfs/dbraw/zinc/46/87/68/929468768.db2.gz GQMCLMSJMLNDII-UHFFFAOYSA-N 1 2 278.396 1.359 20 30 CDEDLO CC(C)(C)C#CC(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001112837110 929481564 /nfs/dbraw/zinc/48/15/64/929481564.db2.gz SCSOOHDSZXKBJA-UHFFFAOYSA-N 1 2 292.423 1.607 20 30 CDEDLO C#CC[C@H](CCOC)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000863391898 929547035 /nfs/dbraw/zinc/54/70/35/929547035.db2.gz YMIUROAPZWCOPZ-NWDGAFQWSA-N 1 2 255.358 1.735 20 30 CDEDLO C=CCOCC(=O)N[C@@H](C)[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001112922308 929572167 /nfs/dbraw/zinc/57/21/67/929572167.db2.gz YLZIOHJOLLBWEC-MNOVXSKESA-N 1 2 278.356 1.293 20 30 CDEDLO CC(=[NH+]N[C@@H]1CCOC1)c1cc(F)c(N)c(F)c1 ZINC000814917823 929895331 /nfs/dbraw/zinc/89/53/31/929895331.db2.gz SMQTTYJGXVPTOI-SECBINFHSA-N 1 2 255.268 1.650 20 30 CDEDLO Cc1ccc(N(C)CC[NH+]2CCOCC2)c(C#N)n1 ZINC000881907988 929917223 /nfs/dbraw/zinc/91/72/23/929917223.db2.gz KFXZVDYZCJFMAG-UHFFFAOYSA-N 1 2 260.341 1.030 20 30 CDEDLO C=C[C@@H]1C[C@]1([NH2+][C@H]1CCCOCC1)C(=O)OCC ZINC001170791715 930049483 /nfs/dbraw/zinc/04/94/83/930049483.db2.gz CNNZAENKFYCDNU-MBNYWOFBSA-N 1 2 253.342 1.653 20 30 CDEDLO C=CCNC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001202570097 930316032 /nfs/dbraw/zinc/31/60/32/930316032.db2.gz YLSGSPSFRCIDCG-UHFFFAOYSA-N 1 2 275.352 1.826 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CC2CCC1CC2 ZINC000884373018 930544668 /nfs/dbraw/zinc/54/46/68/930544668.db2.gz ZLPBDTMGJDNFEK-HOAMVYINSA-N 1 2 294.395 1.376 20 30 CDEDLO C#CC[N@H+](CC1CC1)CN1C(=O)N[C@@](CC)(C(C)C)C1=O ZINC001116371895 937444871 /nfs/dbraw/zinc/44/48/71/937444871.db2.gz BYORUEMCDMGLFF-INIZCTEOSA-N 1 2 291.395 1.646 20 30 CDEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)N[C@@](CC)(C(C)C)C1=O ZINC001116371895 937444874 /nfs/dbraw/zinc/44/48/74/937444874.db2.gz BYORUEMCDMGLFF-INIZCTEOSA-N 1 2 291.395 1.646 20 30 CDEDLO Cn1c[nH+]cc1CN=Nc1ccc(C(C)(C)C)nn1 ZINC001116380365 937445003 /nfs/dbraw/zinc/44/50/03/937445003.db2.gz ODGQRQCDFOUYKS-UHFFFAOYSA-N 1 2 258.329 1.954 20 30 CDEDLO C#CCOCCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000819926391 930856300 /nfs/dbraw/zinc/85/63/00/930856300.db2.gz AMEVSHCKXQVUEU-OAHLLOKOSA-N 1 2 297.358 1.698 20 30 CDEDLO COc1cccc(NC(=O)CO[NH+]=C(N)c2ccccc2)c1 ZINC000005295495 931078248 /nfs/dbraw/zinc/07/82/48/931078248.db2.gz NRKWRRAZDRZBPU-UHFFFAOYSA-N 1 2 299.330 1.971 20 30 CDEDLO C=CC[C@@H]([NH2+]C1CCN(C(=O)OCC)CC1)C(=O)OCC ZINC001116774945 937471062 /nfs/dbraw/zinc/47/10/62/937471062.db2.gz GXOQMGAZMSLJPQ-CYBMUJFWSA-N 1 2 298.383 1.705 20 30 CDEDLO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](CCC#N)CC2 ZINC001274031212 931131285 /nfs/dbraw/zinc/13/12/85/931131285.db2.gz KKHLUMOGSGNZCB-CYBMUJFWSA-N 1 2 261.369 1.694 20 30 CDEDLO COCCCNC(=O)[C@@H]1CC12CC[NH+](CCC#N)CC2 ZINC001274032162 931133422 /nfs/dbraw/zinc/13/34/22/931133422.db2.gz JCZXZCZCJLCQIZ-ZDUSSCGKSA-N 1 2 279.384 1.155 20 30 CDEDLO C=C[C@H](O)C[N@@H+]1C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001253568305 931149445 /nfs/dbraw/zinc/14/94/45/931149445.db2.gz ZTXQCEHZAGOVEY-DCAQKATOSA-N 1 2 274.336 1.080 20 30 CDEDLO C=C[C@H](O)C[N@H+]1C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001253568305 931149450 /nfs/dbraw/zinc/14/94/50/931149450.db2.gz ZTXQCEHZAGOVEY-DCAQKATOSA-N 1 2 274.336 1.080 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC3(C2)C[NH+](Cc2ccc[nH]2)C3)[nH]1 ZINC001274122390 931183275 /nfs/dbraw/zinc/18/32/75/931183275.db2.gz JADQVDQZBIISHK-UHFFFAOYSA-N 1 2 295.346 1.172 20 30 CDEDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)cn2)CCS1 ZINC001144166654 931686009 /nfs/dbraw/zinc/68/60/09/931686009.db2.gz PEEWDJGIBZQMLB-CYBMUJFWSA-N 1 2 291.376 1.434 20 30 CDEDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)CCS1 ZINC001144166654 931686010 /nfs/dbraw/zinc/68/60/10/931686010.db2.gz PEEWDJGIBZQMLB-CYBMUJFWSA-N 1 2 291.376 1.434 20 30 CDEDLO C=C(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C(F)(F)F ZINC001144215472 931704449 /nfs/dbraw/zinc/70/44/49/931704449.db2.gz RMBJBRWGFFIPOO-SNVBAGLBSA-N 1 2 285.269 1.895 20 30 CDEDLO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1 ZINC001275828870 932071164 /nfs/dbraw/zinc/07/11/64/932071164.db2.gz KKWPUEVOOFRXRM-IYBDPMFKSA-N 1 2 298.390 1.935 20 30 CDEDLO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1 ZINC001275828870 932071171 /nfs/dbraw/zinc/07/11/71/932071171.db2.gz KKWPUEVOOFRXRM-IYBDPMFKSA-N 1 2 298.390 1.935 20 30 CDEDLO N#Cc1ccc(CN2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)cc1 ZINC001275829319 932072798 /nfs/dbraw/zinc/07/27/98/932072798.db2.gz WLPSMZZRNOVZKV-UHFFFAOYSA-N 1 2 293.374 1.599 20 30 CDEDLO NC(=O)c1ccc(C(=[NH2+])Nc2cc3cc[nH]c3cn2)cc1 ZINC001171253125 932142605 /nfs/dbraw/zinc/14/26/05/932142605.db2.gz JCMOTLSZPNCKBK-UHFFFAOYSA-N 1 2 279.303 1.699 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1nc(N)c2ccccc2n1 ZINC001117992834 937577748 /nfs/dbraw/zinc/57/77/48/937577748.db2.gz FCLMGFVYNVDKEA-UHFFFAOYSA-N 1 2 270.336 1.294 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1nc(N)c2ccccc2n1 ZINC001117992834 937577750 /nfs/dbraw/zinc/57/77/50/937577750.db2.gz FCLMGFVYNVDKEA-UHFFFAOYSA-N 1 2 270.336 1.294 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3cccc(C#N)c3Cl)C[C@@H]21 ZINC001276128213 932550533 /nfs/dbraw/zinc/55/05/33/932550533.db2.gz LPTBBRMLIGKZCR-KBPBESRZSA-N 1 2 291.782 1.726 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3cccc(C#N)c3Cl)C[C@@H]21 ZINC001276128213 932550537 /nfs/dbraw/zinc/55/05/37/932550537.db2.gz LPTBBRMLIGKZCR-KBPBESRZSA-N 1 2 291.782 1.726 20 30 CDEDLO CN1CCO[C@H]2C[N@H+](Cc3cccc(C#N)c3Cl)C[C@@H]21 ZINC001276128213 932550541 /nfs/dbraw/zinc/55/05/41/932550541.db2.gz LPTBBRMLIGKZCR-KBPBESRZSA-N 1 2 291.782 1.726 20 30 CDEDLO CN1CCO[C@H]2C[N@@H+](Cc3cccc(C#N)c3Cl)C[C@@H]21 ZINC001276128213 932550544 /nfs/dbraw/zinc/55/05/44/932550544.db2.gz LPTBBRMLIGKZCR-KBPBESRZSA-N 1 2 291.782 1.726 20 30 CDEDLO Cn1cc(C[NH+]2CC3(CN(Cc4cocn4)C3)C2)cc1C#N ZINC001276238019 932673228 /nfs/dbraw/zinc/67/32/28/932673228.db2.gz CIBGPRIKIMSBRU-UHFFFAOYSA-N 1 2 297.362 1.203 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ncc(C)o2)nc1 ZINC001148370253 932701018 /nfs/dbraw/zinc/70/10/18/932701018.db2.gz PPQHZLPQERTVFO-LBPRGKRZSA-N 1 2 298.346 1.440 20 30 CDEDLO N#CCc1cc[nH+]c(N2CCC3(COC(=O)N3)CC2)c1 ZINC001155699125 937666135 /nfs/dbraw/zinc/66/61/35/937666135.db2.gz WPZYXACUJZLYGK-UHFFFAOYSA-N 1 2 272.308 1.226 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccnn2[C@H]2CCCCO2)CC1 ZINC001138782402 934806627 /nfs/dbraw/zinc/80/66/27/934806627.db2.gz KOJLNLHMYHRYDX-MRXNPFEDSA-N 1 2 288.395 1.333 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC23CCOCC3)C1 ZINC000957474927 934944758 /nfs/dbraw/zinc/94/47/58/934944758.db2.gz YULUCEHZWKRWOY-HNNXBMFYSA-N 1 2 292.423 1.912 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccco2)C1 ZINC001015882615 935592543 /nfs/dbraw/zinc/59/25/43/935592543.db2.gz VLVGARTYUILMDA-NSHDSACASA-N 1 2 268.744 1.765 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccco2)C1 ZINC001015882615 935592545 /nfs/dbraw/zinc/59/25/45/935592545.db2.gz VLVGARTYUILMDA-NSHDSACASA-N 1 2 268.744 1.765 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)(F)F ZINC001017959535 935656136 /nfs/dbraw/zinc/65/61/36/935656136.db2.gz SGXFUXOZRKNAPR-RWMBFGLXSA-N 1 2 284.350 1.976 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)(F)F ZINC001017959535 935656139 /nfs/dbraw/zinc/65/61/39/935656139.db2.gz SGXFUXOZRKNAPR-RWMBFGLXSA-N 1 2 284.350 1.976 20 30 CDEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nccs1 ZINC001018091958 935660079 /nfs/dbraw/zinc/66/00/79/935660079.db2.gz QXRLQKPNJBPUFZ-TXEJJXNPSA-N 1 2 275.377 1.455 20 30 CDEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nccs1 ZINC001018091958 935660082 /nfs/dbraw/zinc/66/00/82/935660082.db2.gz QXRLQKPNJBPUFZ-TXEJJXNPSA-N 1 2 275.377 1.455 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CCOCC1 ZINC001018109042 935660190 /nfs/dbraw/zinc/66/01/90/935660190.db2.gz WZZPODQPCCJDFL-GASCZTMLSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CCOCC1 ZINC001018109042 935660191 /nfs/dbraw/zinc/66/01/91/935660191.db2.gz WZZPODQPCCJDFL-GASCZTMLSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)nc2sccn21 ZINC001038406745 935743881 /nfs/dbraw/zinc/74/38/81/935743881.db2.gz PYQBTQFSVHTYGD-NSHDSACASA-N 1 2 288.376 1.142 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)nc2sccn21 ZINC001038406745 935743883 /nfs/dbraw/zinc/74/38/83/935743883.db2.gz PYQBTQFSVHTYGD-NSHDSACASA-N 1 2 288.376 1.142 20 30 CDEDLO Cc1cc(C)c(C(=O)NC[C@@H]2CCN2CC#N)c(C)[nH+]1 ZINC001038532859 935748286 /nfs/dbraw/zinc/74/82/86/935748286.db2.gz QURWWLMGJQNTQN-ZDUSSCGKSA-N 1 2 272.352 1.335 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1OCCc2ccccc21 ZINC001038577827 935748869 /nfs/dbraw/zinc/74/88/69/935748869.db2.gz FDXUVDPYTZCPOL-GDBMZVCRSA-N 1 2 284.359 1.124 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1OCCc2ccccc21 ZINC001038577827 935748870 /nfs/dbraw/zinc/74/88/70/935748870.db2.gz FDXUVDPYTZCPOL-GDBMZVCRSA-N 1 2 284.359 1.124 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)ccc1C ZINC001038574373 935749653 /nfs/dbraw/zinc/74/96/53/935749653.db2.gz WBZZJHPAWGQGLO-CQSZACIVSA-N 1 2 274.339 1.962 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)ccc1C ZINC001038574373 935749654 /nfs/dbraw/zinc/74/96/54/935749654.db2.gz WBZZJHPAWGQGLO-CQSZACIVSA-N 1 2 274.339 1.962 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC001038729954 935755310 /nfs/dbraw/zinc/75/53/10/935755310.db2.gz VTVUQHFKIOVRNZ-JTQLQIEISA-N 1 2 282.265 1.541 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC001038729954 935755312 /nfs/dbraw/zinc/75/53/12/935755312.db2.gz VTVUQHFKIOVRNZ-JTQLQIEISA-N 1 2 282.265 1.541 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c(cn1)OCCC2 ZINC001038968337 935764101 /nfs/dbraw/zinc/76/41/01/935764101.db2.gz PLTQUZILAWAIJS-AWEZNQCLSA-N 1 2 299.374 1.234 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2c(cn1)OCCC2 ZINC001038968337 935764104 /nfs/dbraw/zinc/76/41/04/935764104.db2.gz PLTQUZILAWAIJS-AWEZNQCLSA-N 1 2 299.374 1.234 20 30 CDEDLO CC#CCCCC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096468715 936106010 /nfs/dbraw/zinc/10/60/10/936106010.db2.gz ORYCXMBUJRFERE-CQSZACIVSA-N 1 2 286.379 1.674 20 30 CDEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1snnc1C)C2 ZINC001096787262 936218453 /nfs/dbraw/zinc/21/84/53/936218453.db2.gz NOMZJGDUJPWUDK-MXWKQRLJSA-N 1 2 278.381 1.368 20 30 CDEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1snnc1C)C2 ZINC001096787262 936218455 /nfs/dbraw/zinc/21/84/55/936218455.db2.gz NOMZJGDUJPWUDK-MXWKQRLJSA-N 1 2 278.381 1.368 20 30 CDEDLO Cc1nc(-c2ccncc2)nc(N2CC[NH2+]C[C@@H]2C#N)c1C ZINC001156332277 938353350 /nfs/dbraw/zinc/35/33/50/938353350.db2.gz HIASBFCTJIKRDD-AWEZNQCLSA-N 1 2 294.362 1.457 20 30 CDEDLO Nc1[nH]c2cc(C(=O)NC3=CC(=O)CCC3)ccc2[nH+]1 ZINC001156975995 938441456 /nfs/dbraw/zinc/44/14/56/938441456.db2.gz 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/nfs/dbraw/zinc/60/88/20/940608820.db2.gz NQJCGXWFPKOUFS-UHFFFAOYSA-N 1 2 275.352 1.818 20 30 CDEDLO Cc1nc(C#N)c(NC(=O)c2cnc(C[NH3+])s2)o1 ZINC001218649562 941251906 /nfs/dbraw/zinc/25/19/06/941251906.db2.gz DXEVRUMYWYWPCV-UHFFFAOYSA-N 1 2 263.282 1.022 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)cc1F ZINC001362055937 970827502 /nfs/dbraw/zinc/82/75/02/970827502.db2.gz YWWMPMKMJFTUFV-SNVBAGLBSA-N 1 2 272.283 1.712 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)O[C@H](C#N)c1ccccc1 ZINC001223708584 941692757 /nfs/dbraw/zinc/69/27/57/941692757.db2.gz DXWXTMVSWNLRQY-DZGCQCFKSA-N 1 2 260.337 1.989 20 30 CDEDLO Cc1cc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NC3(C#N)CCC3)C2)n[nH]1 ZINC001277350512 942408719 /nfs/dbraw/zinc/40/87/19/942408719.db2.gz JCIMDXJCHHEQLU-MLGOLLRUSA-N 1 2 299.378 1.103 20 30 CDEDLO Cc1cc(C[N@H+]2C[C@H]3C[C@@]3(C(=O)NC3(C#N)CCC3)C2)n[nH]1 ZINC001277350512 942408726 /nfs/dbraw/zinc/40/87/26/942408726.db2.gz JCIMDXJCHHEQLU-MLGOLLRUSA-N 1 2 299.378 1.103 20 30 CDEDLO 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/nfs/dbraw/zinc/84/49/61/942844961.db2.gz BOYCZLQCIUQOEP-GHMZBOCLSA-N 1 2 278.381 1.335 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cncs1 ZINC001231292224 942844967 /nfs/dbraw/zinc/84/49/67/942844967.db2.gz BOYCZLQCIUQOEP-GHMZBOCLSA-N 1 2 278.381 1.335 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CC[N@@H+]1C/C=C\Cl ZINC001231293655 942847440 /nfs/dbraw/zinc/84/74/40/942847440.db2.gz PGMZVAPGQFWGNJ-VRJVPJCWSA-N 1 2 255.749 1.431 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CC[N@H+]1C/C=C\Cl ZINC001231293655 942847444 /nfs/dbraw/zinc/84/74/44/942847444.db2.gz PGMZVAPGQFWGNJ-VRJVPJCWSA-N 1 2 255.749 1.431 20 30 CDEDLO CN1CC[N@H+](Cc2ccc(C#N)c(Cl)c2)CCC1=O ZINC001232115496 943143204 /nfs/dbraw/zinc/14/32/04/943143204.db2.gz RENNVCOXKRGHKO-UHFFFAOYSA-N 1 2 277.755 1.876 20 30 CDEDLO CN1CC[N@@H+](Cc2ccc(C#N)c(Cl)c2)CCC1=O ZINC001232115496 943143209 /nfs/dbraw/zinc/14/32/09/943143209.db2.gz RENNVCOXKRGHKO-UHFFFAOYSA-N 1 2 277.755 1.876 20 30 CDEDLO CCOC(=O)C1C[NH+](Cc2cc(C#N)ccc2O)C1 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ZPOYXCJPIMVZKC-NSHDSACASA-N 1 2 273.336 1.316 20 30 CDEDLO COC1(CC(=O)N2C[C@H]3C[C@@H](C2)[N@H+](CCC#N)C3)CCC1 ZINC001277936266 944113899 /nfs/dbraw/zinc/11/38/99/944113899.db2.gz DEWOJGSCQGDJSH-KBPBESRZSA-N 1 2 291.395 1.392 20 30 CDEDLO COC1(CC(=O)N2C[C@H]3C[C@@H](C2)[N@@H+](CCC#N)C3)CCC1 ZINC001277936266 944113902 /nfs/dbraw/zinc/11/39/02/944113902.db2.gz DEWOJGSCQGDJSH-KBPBESRZSA-N 1 2 291.395 1.392 20 30 CDEDLO Cc1cc(CN2CCC23C[NH+](CCCC#N)C3)n(C)n1 ZINC001277945131 944155175 /nfs/dbraw/zinc/15/51/75/944155175.db2.gz NMBILJDYJWVYSV-UHFFFAOYSA-N 1 2 273.384 1.292 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1ncc(Cl)n1C ZINC001235436211 944156738 /nfs/dbraw/zinc/15/67/38/944156738.db2.gz HUKCMDWWSUMEME-UHFFFAOYSA-N 1 2 298.818 1.978 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1ncc(Cl)n1C ZINC001235436211 944156740 /nfs/dbraw/zinc/15/67/40/944156740.db2.gz HUKCMDWWSUMEME-UHFFFAOYSA-N 1 2 298.818 1.978 20 30 CDEDLO CC(=O)N(C)C1C[NH+](Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237470747 944801680 /nfs/dbraw/zinc/80/16/80/944801680.db2.gz JABCQWPVVNNANQ-UHFFFAOYSA-N 1 2 296.374 1.712 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cncn2CC)C1 ZINC001237593552 944864278 /nfs/dbraw/zinc/86/42/78/944864278.db2.gz KZBXJXSHOKLZBT-ZDUSSCGKSA-N 1 2 292.383 1.780 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cncn2CC)C1 ZINC001237593552 944864283 /nfs/dbraw/zinc/86/42/83/944864283.db2.gz KZBXJXSHOKLZBT-ZDUSSCGKSA-N 1 2 292.383 1.780 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cccc3c2OCC3)CC1 ZINC001237749165 944945049 /nfs/dbraw/zinc/94/50/49/944945049.db2.gz MIZBZTGANYQSOX-UHFFFAOYSA-N 1 2 256.349 1.372 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(OCC)c(F)c2)CC1 ZINC001237957581 945016186 /nfs/dbraw/zinc/01/61/86/945016186.db2.gz BTKWWXJOUXPFRO-UHFFFAOYSA-N 1 2 276.355 1.975 20 30 CDEDLO C=C/C(=[NH+]\COC)c1cccnc1N1CCOCC1 ZINC001243458507 947109284 /nfs/dbraw/zinc/10/92/84/947109284.db2.gz NGDDIICFZUQPSY-DTQAZKPQSA-N 1 2 261.325 1.497 20 30 CDEDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2[C@@H]1CC[C@H](C#N)C1 ZINC001254671101 947586386 /nfs/dbraw/zinc/58/63/86/947586386.db2.gz OTYFWNWDHRJDII-QNSTZXKLSA-N 1 2 278.352 1.331 20 30 CDEDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@H+]2[C@@H]1CC[C@H](C#N)C1 ZINC001254671101 947586389 /nfs/dbraw/zinc/58/63/89/947586389.db2.gz OTYFWNWDHRJDII-QNSTZXKLSA-N 1 2 278.352 1.331 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(OC2COC2)n1 ZINC001255162225 947759170 /nfs/dbraw/zinc/75/91/70/947759170.db2.gz KODASGJBYCVTTE-LLVKDONJSA-N 1 2 261.325 1.641 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@H](Oc2nccnc2C)C1 ZINC001255176428 947767043 /nfs/dbraw/zinc/76/70/43/947767043.db2.gz BGSFCROVPMKIJL-STQMWFEESA-N 1 2 260.341 1.930 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CC[C@H](Oc2nccnc2C)C1 ZINC001255176428 947767046 /nfs/dbraw/zinc/76/70/46/947767046.db2.gz BGSFCROVPMKIJL-STQMWFEESA-N 1 2 260.341 1.930 20 30 CDEDLO CC(C)(C)OC(=O)N1CCC(N2CC[NH2+]C[C@H]2C#N)CC1 ZINC001256289175 948263607 /nfs/dbraw/zinc/26/36/07/948263607.db2.gz FGSFHKXXJKWHBK-CYBMUJFWSA-N 1 2 294.399 1.183 20 30 CDEDLO N#Cc1ccc(-c2noc([C@@H]([NH3+])CO)n2)c2ccccc12 ZINC001247608418 948676128 /nfs/dbraw/zinc/67/61/28/948676128.db2.gz NLGMMKJLPKHHGY-ZDUSSCGKSA-N 1 2 280.287 1.754 20 30 CDEDLO CCCC#Cc1nnc(CC[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC001258092982 948699814 /nfs/dbraw/zinc/69/98/14/948699814.db2.gz XLCMVXRUFOYSBG-CHWSQXEVSA-N 1 2 277.368 1.873 20 30 CDEDLO CC1(C)C[N@H+](Cc2cnn3ccc(C#N)cc23)CCO1 ZINC001249082104 949370494 /nfs/dbraw/zinc/37/04/94/949370494.db2.gz HIONLVHGWPUSMH-UHFFFAOYSA-N 1 2 270.336 1.817 20 30 CDEDLO CC1(C)C[N@@H+](Cc2cnn3ccc(C#N)cc23)CCO1 ZINC001249082104 949370516 /nfs/dbraw/zinc/37/05/16/949370516.db2.gz HIONLVHGWPUSMH-UHFFFAOYSA-N 1 2 270.336 1.817 20 30 CDEDLO N#CCCc1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001250057482 949977374 /nfs/dbraw/zinc/97/73/74/949977374.db2.gz QQSLVQUPAAZPSS-UHFFFAOYSA-N 1 2 278.327 1.993 20 30 CDEDLO C=CCOC[C@H](O)C[NH2+][C@H](CC(C)C)C(=O)OCC ZINC001252482082 951344115 /nfs/dbraw/zinc/34/41/15/951344115.db2.gz ISOMNUUZLZWXLA-CHWSQXEVSA-N 1 2 273.373 1.117 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCn2cnc(COCC)c2C1 ZINC001252598945 951493161 /nfs/dbraw/zinc/49/31/61/951493161.db2.gz UPGAUCVXOYGLJK-ZDUSSCGKSA-N 1 2 279.384 1.562 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCn2cnc(COCC)c2C1 ZINC001252598945 951493167 /nfs/dbraw/zinc/49/31/67/951493167.db2.gz UPGAUCVXOYGLJK-ZDUSSCGKSA-N 1 2 279.384 1.562 20 30 CDEDLO COc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](C#N)C1 ZINC001252889579 951697287 /nfs/dbraw/zinc/69/72/87/951697287.db2.gz ZRUWPZISKRVINN-KGLIPLIRSA-N 1 2 290.363 1.670 20 30 CDEDLO COc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](C#N)C1 ZINC001252889579 951697292 /nfs/dbraw/zinc/69/72/92/951697292.db2.gz ZRUWPZISKRVINN-KGLIPLIRSA-N 1 2 290.363 1.670 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CC(C)(C)O ZINC001569115182 1169661331 /nfs/dbraw/zinc/66/13/31/1169661331.db2.gz OEJXZWPCCQCIPR-JTQLQIEISA-N 1 2 262.781 1.336 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CC(C)(C)O ZINC001569115182 1169661344 /nfs/dbraw/zinc/66/13/44/1169661344.db2.gz OEJXZWPCCQCIPR-JTQLQIEISA-N 1 2 262.781 1.336 20 30 CDEDLO N#Cc1ccsc1C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001363507157 953391060 /nfs/dbraw/zinc/39/10/60/953391060.db2.gz HKMDRQRUNFBEIQ-UHFFFAOYSA-N 1 2 284.344 1.795 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]3COC(=O)N[C@@H]3C2)c(F)c1 ZINC001363649207 953601057 /nfs/dbraw/zinc/60/10/57/953601057.db2.gz JJIHGSFGTORNBR-GXTWGEPZSA-N 1 2 289.310 1.628 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@H]3COC(=O)N[C@@H]3C2)c(F)c1 ZINC001363649207 953601069 /nfs/dbraw/zinc/60/10/69/953601069.db2.gz JJIHGSFGTORNBR-GXTWGEPZSA-N 1 2 289.310 1.628 20 30 CDEDLO N#Cc1cccc([C@@H](O)C[N@@H+]2CCC[C@@]23CCOC3=O)c1 ZINC001363225572 971996210 /nfs/dbraw/zinc/99/62/10/971996210.db2.gz SKGYJMOVPGPCKP-HOCLYGCPSA-N 1 2 286.331 1.373 20 30 CDEDLO N#Cc1cccc([C@@H](O)C[N@H+]2CCC[C@@]23CCOC3=O)c1 ZINC001363225572 971996216 /nfs/dbraw/zinc/99/62/16/971996216.db2.gz SKGYJMOVPGPCKP-HOCLYGCPSA-N 1 2 286.331 1.373 20 30 CDEDLO C#Cc1ccc(CNC(=O)NCc2ccc[nH+]c2N)cc1 ZINC001312728376 956816908 /nfs/dbraw/zinc/81/69/08/956816908.db2.gz HXYUIMZJZXMYGF-UHFFFAOYSA-N 1 2 280.331 1.645 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H](OC)C1CC1 ZINC001366605487 957027572 /nfs/dbraw/zinc/02/75/72/957027572.db2.gz FDJRFDVAIHRFMH-LBPRGKRZSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H](OC)C1CC1 ZINC001366605487 957027557 /nfs/dbraw/zinc/02/75/57/957027557.db2.gz FDJRFDVAIHRFMH-LBPRGKRZSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccnnc1C)C1CC1 ZINC001366749043 957162763 /nfs/dbraw/zinc/16/27/63/957162763.db2.gz OVVAUHLIKYOZAL-UHFFFAOYSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccnnc1C)C1CC1 ZINC001366749043 957162768 /nfs/dbraw/zinc/16/27/68/957162768.db2.gz OVVAUHLIKYOZAL-UHFFFAOYSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@H]1CCOC1 ZINC001367509735 958082998 /nfs/dbraw/zinc/08/29/98/958082998.db2.gz ZARADNQBCBBXTL-GFCCVEGCSA-N 1 2 274.792 1.556 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@H]1CCOC1 ZINC001367509735 958083004 /nfs/dbraw/zinc/08/30/04/958083004.db2.gz ZARADNQBCBBXTL-GFCCVEGCSA-N 1 2 274.792 1.556 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(OC)ccn1 ZINC001420286779 962686644 /nfs/dbraw/zinc/68/66/44/962686644.db2.gz JWGABQHXIAHRHC-UHFFFAOYSA-N 1 2 283.759 1.504 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(OC)ccn1 ZINC001420286779 962686654 /nfs/dbraw/zinc/68/66/54/962686654.db2.gz JWGABQHXIAHRHC-UHFFFAOYSA-N 1 2 283.759 1.504 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C1(c2ccccn2)CC1 ZINC001437462475 962933833 /nfs/dbraw/zinc/93/38/33/962933833.db2.gz IDDVHOSBONNMEW-UHFFFAOYSA-N 1 2 293.798 1.914 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C1(c2ccccn2)CC1 ZINC001437462475 962933838 /nfs/dbraw/zinc/93/38/38/962933838.db2.gz IDDVHOSBONNMEW-UHFFFAOYSA-N 1 2 293.798 1.914 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnn(C)c1 ZINC001437571345 963029199 /nfs/dbraw/zinc/02/91/99/963029199.db2.gz DOIFVWXMWFFKIU-UHFFFAOYSA-N 1 2 270.764 1.224 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnn(C)c1 ZINC001437571345 963029215 /nfs/dbraw/zinc/02/92/15/963029215.db2.gz DOIFVWXMWFFKIU-UHFFFAOYSA-N 1 2 270.764 1.224 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnn(C)c1C ZINC001437583227 963040465 /nfs/dbraw/zinc/04/04/65/963040465.db2.gz WQIRQKUKKRGLFN-UHFFFAOYSA-N 1 2 284.791 1.533 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnn(C)c1C ZINC001437583227 963040479 /nfs/dbraw/zinc/04/04/79/963040479.db2.gz WQIRQKUKKRGLFN-UHFFFAOYSA-N 1 2 284.791 1.533 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](C)C(F)(F)F)C1 ZINC001438131347 963334873 /nfs/dbraw/zinc/33/48/73/963334873.db2.gz SLSIZCOUSSFPDQ-QMMMGPOBSA-N 1 2 284.709 1.985 20 30 CDEDLO Cc1cnc([C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H](C)C#N)o1 ZINC001438865725 963579773 /nfs/dbraw/zinc/57/97/73/963579773.db2.gz OJTYYWGDBJUHLZ-PWSUYJOCSA-N 1 2 278.356 1.594 20 30 CDEDLO Cc1cnc([C@H](C)[N@H+](C)CCN(C)C(=O)[C@H](C)C#N)o1 ZINC001438865725 963579777 /nfs/dbraw/zinc/57/97/77/963579777.db2.gz OJTYYWGDBJUHLZ-PWSUYJOCSA-N 1 2 278.356 1.594 20 30 CDEDLO C=C(Cl)CN(C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001442434808 965061714 /nfs/dbraw/zinc/06/17/14/965061714.db2.gz KJQVKDDJFMMIFG-GFCCVEGCSA-N 1 2 296.802 1.246 20 30 CDEDLO C=C(C)CN(CC)c1nnc(Cc2[nH+]ccn2C)n1C ZINC001355325256 969123935 /nfs/dbraw/zinc/12/39/35/969123935.db2.gz HUJRJUVEGMUXCQ-UHFFFAOYSA-N 1 2 274.372 1.542 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)N(CC#N)C1CCCC1 ZINC001519554720 970093442 /nfs/dbraw/zinc/09/34/42/970093442.db2.gz LDMIDQHKELKIKG-UHFFFAOYSA-N 1 2 260.341 1.647 20 30 CDEDLO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)Cc1[nH]cc[nH+]1 ZINC001469797206 970273479 /nfs/dbraw/zinc/27/34/79/970273479.db2.gz VJZJABJYHQRLRK-UHFFFAOYSA-N 1 2 280.291 1.647 20 30 CDEDLO CC[C@H](C(=O)Nc1nc(-c2cccc(C#N)c2)n[nH]1)[NH+](C)C ZINC001472636054 970681800 /nfs/dbraw/zinc/68/18/00/970681800.db2.gz UTEFPRIGLZWKHS-GFCCVEGCSA-N 1 2 298.350 1.622 20 30 CDEDLO CC[C@H](C(=O)N(CC)CCC#N)[N@@H+]1CCO[C@@H](CC)C1 ZINC001361968107 970725198 /nfs/dbraw/zinc/72/51/98/970725198.db2.gz VWXYTCLQEAFOEB-UONOGXRCSA-N 1 2 281.400 1.638 20 30 CDEDLO CC[C@H](C(=O)N(CC)CCC#N)[N@H+]1CCO[C@@H](CC)C1 ZINC001361968107 970725204 /nfs/dbraw/zinc/72/52/04/970725204.db2.gz VWXYTCLQEAFOEB-UONOGXRCSA-N 1 2 281.400 1.638 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCc2cnn(C)c2)C1 ZINC001373615410 973520014 /nfs/dbraw/zinc/52/00/14/973520014.db2.gz ZHAGZGIGPNSYIO-ZDUSSCGKSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCc2cnn(C)c2)C1 ZINC001373615410 973520023 /nfs/dbraw/zinc/52/00/23/973520023.db2.gz ZHAGZGIGPNSYIO-ZDUSSCGKSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C[C@H]1CCOC1 ZINC001401746529 975873438 /nfs/dbraw/zinc/87/34/38/975873438.db2.gz PSFLURZZIOBHSJ-NWDGAFQWSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C[C@H]1CCOC1 ZINC001401746529 975873427 /nfs/dbraw/zinc/87/34/27/975873427.db2.gz PSFLURZZIOBHSJ-NWDGAFQWSA-N 1 2 274.792 1.602 20 30 CDEDLO CCC(=O)NCC[N@H+](CCOC)Cc1ccccc1C#N ZINC001380094071 976241998 /nfs/dbraw/zinc/24/19/98/976241998.db2.gz GOKMTINVSMRFDW-UHFFFAOYSA-N 1 2 289.379 1.533 20 30 CDEDLO CCC(=O)NCC[N@@H+](CCOC)Cc1ccccc1C#N ZINC001380094071 976242013 /nfs/dbraw/zinc/24/20/13/976242013.db2.gz GOKMTINVSMRFDW-UHFFFAOYSA-N 1 2 289.379 1.533 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1noc2c1CCCC2 ZINC001390825883 976541812 /nfs/dbraw/zinc/54/18/12/976541812.db2.gz UVMCOLCGPNEMEW-UHFFFAOYSA-N 1 2 297.786 1.968 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1noc2c1CCCC2 ZINC001390825883 976541818 /nfs/dbraw/zinc/54/18/18/976541818.db2.gz UVMCOLCGPNEMEW-UHFFFAOYSA-N 1 2 297.786 1.968 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC(C)(C)O)[C@H]1C ZINC001382326675 977251827 /nfs/dbraw/zinc/25/18/27/977251827.db2.gz CINGYPPVGWUJHF-NEPJUHHUSA-N 1 2 288.819 1.869 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC(C)(C)O)[C@H]1C ZINC001382326675 977251836 /nfs/dbraw/zinc/25/18/36/977251836.db2.gz CINGYPPVGWUJHF-NEPJUHHUSA-N 1 2 288.819 1.869 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(CC)on1 ZINC001492817034 977667049 /nfs/dbraw/zinc/66/70/49/977667049.db2.gz JSHMLESOMJLEMW-UHFFFAOYSA-N 1 2 271.748 1.651 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(CC)on1 ZINC001492817034 977667051 /nfs/dbraw/zinc/66/70/51/977667051.db2.gz JSHMLESOMJLEMW-UHFFFAOYSA-N 1 2 271.748 1.651 20 30 CDEDLO N#CC1(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)CCC1 ZINC001592668840 1173960089 /nfs/dbraw/zinc/96/00/89/1173960089.db2.gz AIOVTCNIGCAQMJ-UHFFFAOYSA-N 1 2 258.285 1.243 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2c[nH]nn2)C1 ZINC001575077937 1171106324 /nfs/dbraw/zinc/10/63/24/1171106324.db2.gz DMSYUPXCDVEWDP-RWMBFGLXSA-N 1 2 291.399 1.391 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cn[nH]n2)C1 ZINC001575077937 1171106334 /nfs/dbraw/zinc/10/63/34/1171106334.db2.gz DMSYUPXCDVEWDP-RWMBFGLXSA-N 1 2 291.399 1.391 20 30 CDEDLO Cc1cccc(CCCNc2ccc(C#N)nn2)[nH+]1 ZINC000588063025 342491930 /nfs/dbraw/zinc/49/19/30/342491930.db2.gz FVXLEIIJCKSGLL-UHFFFAOYSA-N 1 2 253.309 1.518 20 30 CDEDLO Cc1cc(C[NH+]2CCC(S(C)(=O)=O)CC2)ccc1C#N ZINC000618594373 349491349 /nfs/dbraw/zinc/49/13/49/349491349.db2.gz LXSMRILZDSHLNR-UHFFFAOYSA-N 1 2 292.404 1.876 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000128389444 342534168 /nfs/dbraw/zinc/53/41/68/342534168.db2.gz VLGPWIALUKOKHK-CYBMUJFWSA-N 1 2 263.341 1.311 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1CCOC2(CCOCC2)C1 ZINC000128389444 342534169 /nfs/dbraw/zinc/53/41/69/342534169.db2.gz VLGPWIALUKOKHK-CYBMUJFWSA-N 1 2 263.341 1.311 20 30 CDEDLO Cc1[nH]c(C(=O)NCCc2nnc3n2CCCC3)c[nH+]1 ZINC000329697234 361819173 /nfs/dbraw/zinc/81/91/73/361819173.db2.gz YEMLOEUZZIQDTR-UHFFFAOYSA-N 1 2 274.328 1.193 20 30 CDEDLO N#Cc1cccnc1N1CC[NH+](Cc2cncc(F)c2)CC1 ZINC000274380480 365628701 /nfs/dbraw/zinc/62/87/01/365628701.db2.gz SLCKPGDOLADTIC-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO N#Cc1cccc(CNC(=O)NCCNc2cccc[nH+]2)c1 ZINC000047500969 342101522 /nfs/dbraw/zinc/10/15/22/342101522.db2.gz RLIKITBZVHYOQA-UHFFFAOYSA-N 1 2 295.346 1.865 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CCC(C)(C)C1 ZINC000580333601 342616982 /nfs/dbraw/zinc/61/69/82/342616982.db2.gz WXDPNJSIKWZCAX-SMDDNHRTSA-N 1 2 251.374 1.773 20 30 CDEDLO C[N@@H+](Cc1ccon1)C[C@H](O)COc1ccccc1C#N ZINC000599298779 343998239 /nfs/dbraw/zinc/99/82/39/343998239.db2.gz YVKHETAMSCOZCM-AWEZNQCLSA-N 1 2 287.319 1.418 20 30 CDEDLO C[N@H+](Cc1ccon1)C[C@H](O)COc1ccccc1C#N ZINC000599298779 343998244 /nfs/dbraw/zinc/99/82/44/343998244.db2.gz YVKHETAMSCOZCM-AWEZNQCLSA-N 1 2 287.319 1.418 20 30 CDEDLO N#CC[N@H+](C[C@@H]1CNc2ccnn2C1)C1CCCC1 ZINC000619264541 342152604 /nfs/dbraw/zinc/15/26/04/342152604.db2.gz IRFNIIPMAVUFDE-LBPRGKRZSA-N 1 2 259.357 1.693 20 30 CDEDLO N#CC[N@@H+](C[C@@H]1CNc2ccnn2C1)C1CCCC1 ZINC000619264541 342152605 /nfs/dbraw/zinc/15/26/05/342152605.db2.gz IRFNIIPMAVUFDE-LBPRGKRZSA-N 1 2 259.357 1.693 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC000592152257 342669261 /nfs/dbraw/zinc/66/92/61/342669261.db2.gz VYJBNSLTVUVWAB-ZDUSSCGKSA-N 1 2 263.366 1.871 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000592152257 342669262 /nfs/dbraw/zinc/66/92/62/342669262.db2.gz VYJBNSLTVUVWAB-ZDUSSCGKSA-N 1 2 263.366 1.871 20 30 CDEDLO Cn1cc(C[N@@H+]2CCC[C@@](F)(CO)C2)cc1C#N ZINC000289866428 361866237 /nfs/dbraw/zinc/86/62/37/361866237.db2.gz QYVZUDATCXPHRW-ZDUSSCGKSA-N 1 2 251.305 1.193 20 30 CDEDLO Cn1cc(C[N@H+]2CCC[C@@](F)(CO)C2)cc1C#N ZINC000289866428 361866240 /nfs/dbraw/zinc/86/62/40/361866240.db2.gz QYVZUDATCXPHRW-ZDUSSCGKSA-N 1 2 251.305 1.193 20 30 CDEDLO Cc1cncc(CC[NH+]2CCN([C@H](C#N)C(C)C)CC2)n1 ZINC000593020051 342758055 /nfs/dbraw/zinc/75/80/55/342758055.db2.gz VREOBIXQKKBPSP-MRXNPFEDSA-N 1 2 287.411 1.493 20 30 CDEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(C)s1 ZINC000593155721 342774364 /nfs/dbraw/zinc/77/43/64/342774364.db2.gz WVNDEJVDMZLTMD-ZDUSSCGKSA-N 1 2 265.382 1.939 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC000594008951 342862951 /nfs/dbraw/zinc/86/29/51/342862951.db2.gz RKDQNDTUXMKQIS-RRFJBIMHSA-N 1 2 295.427 1.980 20 30 CDEDLO N#C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000332772588 539048704 /nfs/dbraw/zinc/04/87/04/539048704.db2.gz HTZCSHRDQGYVNK-NTZNESFSSA-N 1 2 258.325 1.254 20 30 CDEDLO C=CCN1CC[C@H](N(C)c2cc(CC)[nH+]c(C)n2)C1=O ZINC000281776803 539091501 /nfs/dbraw/zinc/09/15/01/539091501.db2.gz GZDNCBZKEBRJLY-ZDUSSCGKSA-N 1 2 274.368 1.571 20 30 CDEDLO CC[C@@H]1CO[C@H](C)CN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330244507 529414155 /nfs/dbraw/zinc/41/41/55/529414155.db2.gz DFCKUDGUGAMVMZ-FRRDWIJNSA-N 1 2 292.383 1.611 20 30 CDEDLO N#Cc1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)nc1N ZINC000594568682 342919269 /nfs/dbraw/zinc/91/92/69/342919269.db2.gz IWWKYYRVKNBXNZ-GFCCVEGCSA-N 1 2 280.335 1.043 20 30 CDEDLO CCOC(=O)[C@@H](CC(C)C)[NH+]1CCN(CCC#N)CC1 ZINC000611794052 346881885 /nfs/dbraw/zinc/88/18/85/346881885.db2.gz PTZNHZFHBIIWHH-CQSZACIVSA-N 1 2 281.400 1.495 20 30 CDEDLO N#Cc1ccc(CCNC(=O)NCCn2cc[nH+]c2)cc1 ZINC000594687590 342941542 /nfs/dbraw/zinc/94/15/42/342941542.db2.gz UJORMWWZWWUAJC-UHFFFAOYSA-N 1 2 283.335 1.297 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)CCc1nnn(C(C)(C)C)n1 ZINC000595302979 343023483 /nfs/dbraw/zinc/02/34/83/343023483.db2.gz YWABBYKRSHWODB-JTQLQIEISA-N 1 2 250.350 1.062 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)CCc1nnn(C(C)(C)C)n1 ZINC000595302979 343023485 /nfs/dbraw/zinc/02/34/85/343023485.db2.gz YWABBYKRSHWODB-JTQLQIEISA-N 1 2 250.350 1.062 20 30 CDEDLO Cn1c[nH+]c(CN2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000595296010 343026829 /nfs/dbraw/zinc/02/68/29/343026829.db2.gz VHJCTJYIYJMQGB-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO Cn1cnc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000595296010 343026831 /nfs/dbraw/zinc/02/68/31/343026831.db2.gz VHJCTJYIYJMQGB-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](CC)[C@H](C)C(=O)OC(C)(C)C)C1=O ZINC000595607583 343107256 /nfs/dbraw/zinc/10/72/56/343107256.db2.gz WDKIYRGQLXNVHI-CHWSQXEVSA-N 1 2 296.411 1.825 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](CC)[C@H](C)C(=O)OC(C)(C)C)C1=O ZINC000595607583 343107258 /nfs/dbraw/zinc/10/72/58/343107258.db2.gz WDKIYRGQLXNVHI-CHWSQXEVSA-N 1 2 296.411 1.825 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)CCO)c1C ZINC000078321874 342335663 /nfs/dbraw/zinc/33/56/63/342335663.db2.gz AFZYIJXOWHSVHL-UHFFFAOYSA-N 1 2 250.342 1.398 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)CCO)c1C ZINC000078321874 342335664 /nfs/dbraw/zinc/33/56/64/342335664.db2.gz AFZYIJXOWHSVHL-UHFFFAOYSA-N 1 2 250.342 1.398 20 30 CDEDLO CCC[C@@H]1C[C@@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000079844522 342347929 /nfs/dbraw/zinc/34/79/29/342347929.db2.gz HRBVKTMOZCECKS-CABCVRRESA-N 1 2 293.411 1.497 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H]3C[C@H]3C2)cc1 ZINC000595807021 343159033 /nfs/dbraw/zinc/15/90/33/343159033.db2.gz GYIUNWUXAWHOAH-KBPBESRZSA-N 1 2 290.388 1.674 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H]3C[C@H]3C2)cc1 ZINC000595807021 343159034 /nfs/dbraw/zinc/15/90/34/343159034.db2.gz GYIUNWUXAWHOAH-KBPBESRZSA-N 1 2 290.388 1.674 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595809531 343159908 /nfs/dbraw/zinc/15/99/08/343159908.db2.gz GTDSVFFRSNVZLP-ONGXEEELSA-N 1 2 261.350 1.900 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000595809531 343159909 /nfs/dbraw/zinc/15/99/09/343159909.db2.gz GTDSVFFRSNVZLP-ONGXEEELSA-N 1 2 261.350 1.900 20 30 CDEDLO COC(=O)[C@@](C)([NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC000081153529 342364709 /nfs/dbraw/zinc/36/47/09/342364709.db2.gz HYXVVJGTLIYCTQ-HNNXBMFYSA-N 1 2 258.321 1.990 20 30 CDEDLO N#Cc1cc(NCC2CC[NH+](CC(F)F)CC2)ncn1 ZINC000596238017 343283480 /nfs/dbraw/zinc/28/34/80/343283480.db2.gz DUSOXTVCCRYLCD-UHFFFAOYSA-N 1 2 281.310 1.159 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)NCC(C)(C)CC#N)[C@@H](C)CO1 ZINC000596624328 343359566 /nfs/dbraw/zinc/35/95/66/343359566.db2.gz QXYHNEJBFJQFRN-STQMWFEESA-N 1 2 296.415 1.335 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)NCC(C)(C)CC#N)[C@@H](C)CO1 ZINC000596624328 343359569 /nfs/dbraw/zinc/35/95/69/343359569.db2.gz QXYHNEJBFJQFRN-STQMWFEESA-N 1 2 296.415 1.335 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)CC(C)(C)O1 ZINC000140722363 342445523 /nfs/dbraw/zinc/44/55/23/342445523.db2.gz RFTWIXNKCSJFJQ-CYBMUJFWSA-N 1 2 293.411 1.828 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)CC(C)(C)O1 ZINC000140722363 342445524 /nfs/dbraw/zinc/44/55/24/342445524.db2.gz RFTWIXNKCSJFJQ-CYBMUJFWSA-N 1 2 293.411 1.828 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)CC2(C#N)CCCCC2)CCO1 ZINC000597052478 343442267 /nfs/dbraw/zinc/44/22/67/343442267.db2.gz LFTPZQPMIJLUMG-AWEZNQCLSA-N 1 2 293.411 1.687 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)CC2(C#N)CCCCC2)CCO1 ZINC000597052478 343442271 /nfs/dbraw/zinc/44/22/71/343442271.db2.gz LFTPZQPMIJLUMG-AWEZNQCLSA-N 1 2 293.411 1.687 20 30 CDEDLO N#Cc1csc(C[NH+]2CCN([C@H]3CCOC3)CC2)c1 ZINC000597203803 343473459 /nfs/dbraw/zinc/47/34/59/343473459.db2.gz XPSOCOBMRSALMP-ZDUSSCGKSA-N 1 2 277.393 1.526 20 30 CDEDLO N#Cc1c[nH]c(C(=O)Nc2ccn3cc[nH+]c3c2)c1 ZINC000619578078 349810306 /nfs/dbraw/zinc/81/03/06/349810306.db2.gz CZMGVXZUVBATGR-UHFFFAOYSA-N 1 2 251.249 1.786 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCC(F)(F)C2)C1 ZINC000330284032 529788858 /nfs/dbraw/zinc/78/88/58/529788858.db2.gz WXQQVYYWOQTKKH-GHMZBOCLSA-N 1 2 291.342 1.256 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCC(F)(F)C2)C1 ZINC000330284032 529788859 /nfs/dbraw/zinc/78/88/59/529788859.db2.gz WXQQVYYWOQTKKH-GHMZBOCLSA-N 1 2 291.342 1.256 20 30 CDEDLO Cc1c[nH]c(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000600162077 349838928 /nfs/dbraw/zinc/83/89/28/349838928.db2.gz PZDZFTNJJSJLPW-CYBMUJFWSA-N 1 2 283.335 1.638 20 30 CDEDLO Cc1c[nH]c(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000600162077 349838929 /nfs/dbraw/zinc/83/89/29/349838929.db2.gz PZDZFTNJJSJLPW-CYBMUJFWSA-N 1 2 283.335 1.638 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(C#N)cc2)[C@H](C)CO1 ZINC000597995901 343684562 /nfs/dbraw/zinc/68/45/62/343684562.db2.gz HCENVGVAUXXAJG-CHWSQXEVSA-N 1 2 287.363 1.397 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)cc2)[C@H](C)CO1 ZINC000597995901 343684563 /nfs/dbraw/zinc/68/45/63/343684563.db2.gz HCENVGVAUXXAJG-CHWSQXEVSA-N 1 2 287.363 1.397 20 30 CDEDLO Cc1ccnc(NCC[N@H+]2CCOC[C@H]2C)c1C#N ZINC000612079450 347006327 /nfs/dbraw/zinc/00/63/27/347006327.db2.gz JXAJDFGJGVHCAN-GFCCVEGCSA-N 1 2 260.341 1.394 20 30 CDEDLO Cc1ccnc(NCC[N@@H+]2CCOC[C@H]2C)c1C#N ZINC000612079450 347006330 /nfs/dbraw/zinc/00/63/30/347006330.db2.gz JXAJDFGJGVHCAN-GFCCVEGCSA-N 1 2 260.341 1.394 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2ncsc2C1 ZINC000446083123 362293575 /nfs/dbraw/zinc/29/35/75/362293575.db2.gz RVZAASOOLVCBKR-UHFFFAOYSA-N 1 2 279.409 1.926 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2ncsc2C1 ZINC000446083123 362293581 /nfs/dbraw/zinc/29/35/81/362293581.db2.gz RVZAASOOLVCBKR-UHFFFAOYSA-N 1 2 279.409 1.926 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2ncsc2C1 ZINC000445857675 362274617 /nfs/dbraw/zinc/27/46/17/362274617.db2.gz OPFZQQVJICBXCE-UHFFFAOYSA-N 1 2 277.393 1.702 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2ncsc2C1 ZINC000445857675 362274622 /nfs/dbraw/zinc/27/46/22/362274622.db2.gz OPFZQQVJICBXCE-UHFFFAOYSA-N 1 2 277.393 1.702 20 30 CDEDLO CCS(=O)(=O)N1CC[N@H+](CC2(CC#N)CC2)[C@H](C)C1 ZINC000602830648 344613819 /nfs/dbraw/zinc/61/38/19/344613819.db2.gz UZNAACMHJXZHOV-GFCCVEGCSA-N 1 2 285.413 1.036 20 30 CDEDLO CCS(=O)(=O)N1CC[N@@H+](CC2(CC#N)CC2)[C@H](C)C1 ZINC000602830648 344613820 /nfs/dbraw/zinc/61/38/20/344613820.db2.gz UZNAACMHJXZHOV-GFCCVEGCSA-N 1 2 285.413 1.036 20 30 CDEDLO COc1ccc(Cl)cc1CNC(=O)C[NH2+][C@H](C)CC#N ZINC000602862016 344617517 /nfs/dbraw/zinc/61/75/17/344617517.db2.gz KGPXRIQYAMYFSW-SNVBAGLBSA-N 1 2 295.770 1.857 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)NCCc1ccccc1 ZINC000602864218 344637539 /nfs/dbraw/zinc/63/75/39/344637539.db2.gz QLLQOCOONSXHCU-OLZOCXBDSA-N 1 2 259.353 1.626 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCCOc1cccc(Cl)c1 ZINC000602864257 344637610 /nfs/dbraw/zinc/63/76/10/344637610.db2.gz RORUJRPDPBVJJZ-NSHDSACASA-N 1 2 295.770 1.727 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCCc1ccc(Cl)cc1 ZINC000602866264 344638874 /nfs/dbraw/zinc/63/88/74/344638874.db2.gz ZQBAFXMQQFCUES-NSHDSACASA-N 1 2 279.771 1.890 20 30 CDEDLO COc1cc(C)[nH+]c(Cn2cc(CCC#N)nn2)c1 ZINC000603249298 344751799 /nfs/dbraw/zinc/75/17/99/344751799.db2.gz GJKZRHPOEGZXRM-UHFFFAOYSA-N 1 2 257.297 1.495 20 30 CDEDLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612163916 347066026 /nfs/dbraw/zinc/06/60/26/347066026.db2.gz WMGSYPMQEWQWJF-TZMCWYRMSA-N 1 2 251.374 1.867 20 30 CDEDLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612163916 347066028 /nfs/dbraw/zinc/06/60/28/347066028.db2.gz WMGSYPMQEWQWJF-TZMCWYRMSA-N 1 2 251.374 1.867 20 30 CDEDLO C=CC[NH+](CC=C)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000604046766 344854632 /nfs/dbraw/zinc/85/46/32/344854632.db2.gz NSSYVSSJZXIQDV-UHFFFAOYSA-N 1 2 259.313 1.243 20 30 CDEDLO C[N@H+](CC1(C#N)CC1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000331921505 282380436 /nfs/dbraw/zinc/38/04/36/282380436.db2.gz FMGSNSAHQPHLFM-VXGBXAGGSA-N 1 2 270.398 1.578 20 30 CDEDLO C[N@@H+](CC1(C#N)CC1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000331921505 282380438 /nfs/dbraw/zinc/38/04/38/282380438.db2.gz FMGSNSAHQPHLFM-VXGBXAGGSA-N 1 2 270.398 1.578 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000526113755 362573431 /nfs/dbraw/zinc/57/34/31/362573431.db2.gz FYSZGDAWVZMTCV-UKRRQHHQSA-N 1 2 284.400 1.052 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000526113755 362573438 /nfs/dbraw/zinc/57/34/38/362573438.db2.gz FYSZGDAWVZMTCV-UKRRQHHQSA-N 1 2 284.400 1.052 20 30 CDEDLO C=CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@@H](C)COC ZINC000617584646 345870950 /nfs/dbraw/zinc/87/09/50/345870950.db2.gz HSRLUYRPBHRUMR-STQMWFEESA-N 1 2 265.357 1.884 20 30 CDEDLO N#CCCN(CC(F)(F)F)C(=O)CCCn1cc[nH+]c1 ZINC000610504054 346297173 /nfs/dbraw/zinc/29/71/73/346297173.db2.gz JAHACJVOGDAPPC-UHFFFAOYSA-N 1 2 288.273 1.968 20 30 CDEDLO COC(=O)[C@H](COC(C)C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000610826494 346457575 /nfs/dbraw/zinc/45/75/75/346457575.db2.gz FUYRYZSDEZGOOK-HNNXBMFYSA-N 1 2 290.363 1.957 20 30 CDEDLO COC(=O)[C@H](COC(C)C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000610826494 346457576 /nfs/dbraw/zinc/45/75/76/346457576.db2.gz FUYRYZSDEZGOOK-HNNXBMFYSA-N 1 2 290.363 1.957 20 30 CDEDLO CCOC[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000610998697 346570871 /nfs/dbraw/zinc/57/08/71/346570871.db2.gz RJDRXPZRACIZTE-AWEZNQCLSA-N 1 2 276.336 1.568 20 30 CDEDLO CCOC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000610998697 346570875 /nfs/dbraw/zinc/57/08/75/346570875.db2.gz RJDRXPZRACIZTE-AWEZNQCLSA-N 1 2 276.336 1.568 20 30 CDEDLO N#Cc1cc(C[NH+]2CCN(c3cnccn3)CC2)ccn1 ZINC000610991823 346568182 /nfs/dbraw/zinc/56/81/82/346568182.db2.gz SUZKZPFMKNNCDD-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO COCC[N@H+](CCC#N)Cc1ccccc1-n1cncn1 ZINC000611268658 346731133 /nfs/dbraw/zinc/73/11/33/346731133.db2.gz GFFIMFSKUYIMLM-UHFFFAOYSA-N 1 2 285.351 1.629 20 30 CDEDLO COCC[N@@H+](CCC#N)Cc1ccccc1-n1cncn1 ZINC000611268658 346731136 /nfs/dbraw/zinc/73/11/36/346731136.db2.gz GFFIMFSKUYIMLM-UHFFFAOYSA-N 1 2 285.351 1.629 20 30 CDEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000611302684 346742481 /nfs/dbraw/zinc/74/24/81/346742481.db2.gz WLMCCDVLAIFQGD-SNVBAGLBSA-N 1 2 293.289 1.012 20 30 CDEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000611302684 346742484 /nfs/dbraw/zinc/74/24/84/346742484.db2.gz WLMCCDVLAIFQGD-SNVBAGLBSA-N 1 2 293.289 1.012 20 30 CDEDLO COC(=O)[C@H](COC(C)C)[N@H+](C)CCC(C)(C)C#N ZINC000611462709 346792599 /nfs/dbraw/zinc/79/25/99/346792599.db2.gz XHJNHOQQOGLWEA-LBPRGKRZSA-N 1 2 270.373 1.825 20 30 CDEDLO COC(=O)[C@H](COC(C)C)[N@@H+](C)CCC(C)(C)C#N ZINC000611462709 346792600 /nfs/dbraw/zinc/79/26/00/346792600.db2.gz XHJNHOQQOGLWEA-LBPRGKRZSA-N 1 2 270.373 1.825 20 30 CDEDLO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccon3)C2=O)cc1 ZINC000611509246 346800266 /nfs/dbraw/zinc/80/02/66/346800266.db2.gz PQJDMLYODABZLY-HNNXBMFYSA-N 1 2 296.330 1.831 20 30 CDEDLO C=C[C@H](O)C(=O)Nc1c[nH+]ccc1OC(C)(C)C ZINC000612867087 347304782 /nfs/dbraw/zinc/30/47/82/347304782.db2.gz ZSOZBGGIOHKZHT-JTQLQIEISA-N 1 2 250.298 1.744 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(F)c(F)c2)CC1 ZINC000490778906 347577454 /nfs/dbraw/zinc/57/74/54/347577454.db2.gz OIYBOFJOAQNERQ-UHFFFAOYSA-N 1 2 294.301 1.121 20 30 CDEDLO N#CCc1cccc(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000174746117 347662521 /nfs/dbraw/zinc/66/25/21/347662521.db2.gz UKAQORDLZDVPQO-UHFFFAOYSA-N 1 2 254.293 1.448 20 30 CDEDLO CNc1cc2c(nn1)CC[N@@H+]([C@@H](C)c1cccc(C#N)c1)C2 ZINC000614963156 348287506 /nfs/dbraw/zinc/28/75/06/348287506.db2.gz MVBJNBFEFKHNLM-LBPRGKRZSA-N 1 2 293.374 1.931 20 30 CDEDLO CNc1cc2c(nn1)CC[N@H+]([C@@H](C)c1cccc(C#N)c1)C2 ZINC000614963156 348287508 /nfs/dbraw/zinc/28/75/08/348287508.db2.gz MVBJNBFEFKHNLM-LBPRGKRZSA-N 1 2 293.374 1.931 20 30 CDEDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000615227057 348399078 /nfs/dbraw/zinc/39/90/78/348399078.db2.gz QCPDDQPFENNMCW-SNVBAGLBSA-N 1 2 277.755 1.922 20 30 CDEDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000615227057 348399081 /nfs/dbraw/zinc/39/90/81/348399081.db2.gz QCPDDQPFENNMCW-SNVBAGLBSA-N 1 2 277.755 1.922 20 30 CDEDLO Cc1[nH][nH]c(=NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)c1C#N ZINC000601678118 349990390 /nfs/dbraw/zinc/99/03/90/349990390.db2.gz CBXPJEGOURZQII-ZDUSSCGKSA-N 1 2 289.383 1.461 20 30 CDEDLO N#C[C@]1(F)CCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000615594838 348605353 /nfs/dbraw/zinc/60/53/53/348605353.db2.gz QXXXAVVNROYGGD-CYBMUJFWSA-N 1 2 258.256 1.412 20 30 CDEDLO N#CC1CC[NH+](CC(=O)NC[C@H]2Cc3ccccc3O2)CC1 ZINC000057873210 348850101 /nfs/dbraw/zinc/85/01/01/348850101.db2.gz ZXDVDOYECNWITJ-OAHLLOKOSA-N 1 2 299.374 1.342 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)CCC(F)(F)F ZINC000067979365 349043655 /nfs/dbraw/zinc/04/36/55/349043655.db2.gz MXXAAFFFUFZDBH-LLVKDONJSA-N 1 2 279.306 1.925 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CCC(F)(F)F ZINC000067979365 349043658 /nfs/dbraw/zinc/04/36/58/349043658.db2.gz MXXAAFFFUFZDBH-LLVKDONJSA-N 1 2 279.306 1.925 20 30 CDEDLO N#C[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccccc1Cl ZINC000073647900 349172885 /nfs/dbraw/zinc/17/28/85/349172885.db2.gz YRXPNJCGWXMFQP-GFCCVEGCSA-N 1 2 274.711 1.918 20 30 CDEDLO Cc1nc(N2CC[N@@H+](C)C[C@@H]2CO)c(Cl)cc1C#N ZINC000601980420 350039138 /nfs/dbraw/zinc/03/91/38/350039138.db2.gz WEEWSNCMFRHJQM-LLVKDONJSA-N 1 2 280.759 1.028 20 30 CDEDLO Cc1nc(N2CC[N@H+](C)C[C@@H]2CO)c(Cl)cc1C#N ZINC000601980420 350039141 /nfs/dbraw/zinc/03/91/41/350039141.db2.gz WEEWSNCMFRHJQM-LLVKDONJSA-N 1 2 280.759 1.028 20 30 CDEDLO CC[N@H+](Cc1cnn(C)c1)Cc1cccc(C#N)n1 ZINC000602449824 350110272 /nfs/dbraw/zinc/11/02/72/350110272.db2.gz SUSCUAATQFGJRF-UHFFFAOYSA-N 1 2 255.325 1.709 20 30 CDEDLO CC[N@@H+](Cc1cnn(C)c1)Cc1cccc(C#N)n1 ZINC000602449824 350110273 /nfs/dbraw/zinc/11/02/73/350110273.db2.gz SUSCUAATQFGJRF-UHFFFAOYSA-N 1 2 255.325 1.709 20 30 CDEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)n2)C[C@]2(CCOC2)O1 ZINC000602644284 350135874 /nfs/dbraw/zinc/13/58/74/350135874.db2.gz LXGQNGGRDNGCNU-WFASDCNBSA-N 1 2 273.336 1.333 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)n2)C[C@]2(CCOC2)O1 ZINC000602644284 350135876 /nfs/dbraw/zinc/13/58/76/350135876.db2.gz LXGQNGGRDNGCNU-WFASDCNBSA-N 1 2 273.336 1.333 20 30 CDEDLO N#Cc1cccc(C[NH2+][C@@]2(CO)CCOc3ccccc32)n1 ZINC000602658377 350138438 /nfs/dbraw/zinc/13/84/38/350138438.db2.gz VPTKQPMTCMYHMI-QGZVFWFLSA-N 1 2 295.342 1.713 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](CC)C1 ZINC000249071915 482635076 /nfs/dbraw/zinc/63/50/76/482635076.db2.gz ZVYUQENJFKUJNS-KGLIPLIRSA-N 1 2 268.401 1.910 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000249071915 482635079 /nfs/dbraw/zinc/63/50/79/482635079.db2.gz ZVYUQENJFKUJNS-KGLIPLIRSA-N 1 2 268.401 1.910 20 30 CDEDLO COC(=O)[C@@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104963174 186036012 /nfs/dbraw/zinc/03/60/12/186036012.db2.gz NISWXSQRRJGKTD-GFCCVEGCSA-N 1 2 288.347 1.963 20 30 CDEDLO C=CCNc1ncc(C(=O)N(C)Cc2c[nH+]c[nH]2)s1 ZINC000622133795 351026667 /nfs/dbraw/zinc/02/66/67/351026667.db2.gz JTTOSXGAOLZLRY-UHFFFAOYSA-N 1 2 277.353 1.158 20 30 CDEDLO C=CCNc1ncc(C(=O)N(C)Cc2c[nH]c[nH+]2)s1 ZINC000622133795 351026669 /nfs/dbraw/zinc/02/66/69/351026669.db2.gz JTTOSXGAOLZLRY-UHFFFAOYSA-N 1 2 277.353 1.158 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@H+]1CCOc1ccccc1C#N ZINC000152585377 188030917 /nfs/dbraw/zinc/03/09/17/188030917.db2.gz VBYUUBFRLPJFAN-AWEZNQCLSA-N 1 2 287.363 1.538 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@@H+]1CCOc1ccccc1C#N ZINC000152585377 188030919 /nfs/dbraw/zinc/03/09/19/188030919.db2.gz VBYUUBFRLPJFAN-AWEZNQCLSA-N 1 2 287.363 1.538 20 30 CDEDLO C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000155565007 188214266 /nfs/dbraw/zinc/21/42/66/188214266.db2.gz AYDIHZYOZHODRD-SECBINFHSA-N 1 2 261.325 1.718 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3ncccn3)CC2)s1 ZINC000158828830 188396461 /nfs/dbraw/zinc/39/64/61/188396461.db2.gz XZKQJXPIMVPGBX-UHFFFAOYSA-N 1 2 285.376 1.732 20 30 CDEDLO N#Cc1ccnc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1Cl ZINC000342227339 363241813 /nfs/dbraw/zinc/24/18/13/363241813.db2.gz KKQRIDHJYIVNEK-GFCCVEGCSA-N 1 2 292.770 1.304 20 30 CDEDLO N#Cc1ccnc(NC[C@@H]2C[N@H+](C3CC3)CCO2)c1Cl ZINC000342227339 363241818 /nfs/dbraw/zinc/24/18/18/363241818.db2.gz KKQRIDHJYIVNEK-GFCCVEGCSA-N 1 2 292.770 1.304 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000355498003 366106666 /nfs/dbraw/zinc/10/66/66/366106666.db2.gz YMIQVTANGYWEGE-VNHYZAJKSA-N 1 2 281.400 1.494 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000355498003 366106669 /nfs/dbraw/zinc/10/66/69/366106669.db2.gz YMIQVTANGYWEGE-VNHYZAJKSA-N 1 2 281.400 1.494 20 30 CDEDLO COc1cc(C[NH2+]Cc2nnc3n2CCC3)ccc1C#N ZINC000440801477 366195656 /nfs/dbraw/zinc/19/56/56/366195656.db2.gz AQHFXQRJVLUVPU-UHFFFAOYSA-N 1 2 283.335 1.394 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493203682 366197611 /nfs/dbraw/zinc/19/76/11/366197611.db2.gz IINOZEGYHBESCG-RXFDVUBGSA-N 1 2 261.325 1.520 20 30 CDEDLO CN1CCO[C@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC000361837823 283037057 /nfs/dbraw/zinc/03/70/57/283037057.db2.gz NMUWVDCMFNEQGM-GJZGRUSLSA-N 1 2 275.327 1.212 20 30 CDEDLO CN1CCO[C@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC000361837823 283037059 /nfs/dbraw/zinc/03/70/59/283037059.db2.gz NMUWVDCMFNEQGM-GJZGRUSLSA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC000361837823 283037061 /nfs/dbraw/zinc/03/70/61/283037061.db2.gz NMUWVDCMFNEQGM-GJZGRUSLSA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC000361837823 283037062 /nfs/dbraw/zinc/03/70/62/283037062.db2.gz NMUWVDCMFNEQGM-GJZGRUSLSA-N 1 2 275.327 1.212 20 30 CDEDLO C=CCN(CCC#N)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000570216508 363443143 /nfs/dbraw/zinc/44/31/43/363443143.db2.gz RNSQWEVLGSQVSC-LBPRGKRZSA-N 1 2 258.325 1.374 20 30 CDEDLO CCC[N@H+](CC(=O)NC)Cc1ccc(C#N)cc1OC ZINC000120683652 283100396 /nfs/dbraw/zinc/10/03/96/283100396.db2.gz JMEJCDKSXHSGSS-UHFFFAOYSA-N 1 2 275.352 1.525 20 30 CDEDLO CCC[N@@H+](CC(=O)NC)Cc1ccc(C#N)cc1OC ZINC000120683652 283100398 /nfs/dbraw/zinc/10/03/98/283100398.db2.gz JMEJCDKSXHSGSS-UHFFFAOYSA-N 1 2 275.352 1.525 20 30 CDEDLO CNc1ccc(C#N)cc1NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000578082422 356136165 /nfs/dbraw/zinc/13/61/65/356136165.db2.gz PWDRMAAQWGXJRI-NSHDSACASA-N 1 2 272.352 1.879 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1nnc(C)s1 ZINC000273659928 192250448 /nfs/dbraw/zinc/25/04/48/192250448.db2.gz XSICHTPIDWECJR-JTQLQIEISA-N 1 2 282.413 1.922 20 30 CDEDLO CCn1nncc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000328991902 538445252 /nfs/dbraw/zinc/44/52/52/538445252.db2.gz SPFOOAHXBHSDEX-NSHDSACASA-N 1 2 286.339 1.277 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000333204990 295929476 /nfs/dbraw/zinc/92/94/76/295929476.db2.gz OKCHWGFILUCLNN-BBRMVZONSA-N 1 2 291.395 1.297 20 30 CDEDLO Cc1nnccc1[NH+]=C([O-])N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329497604 538575564 /nfs/dbraw/zinc/57/55/64/538575564.db2.gz GLSRZGMIRRVNCT-VIFPVBQESA-N 1 2 272.312 1.392 20 30 CDEDLO Cc1nnccc1[NH+]=C([O-])N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329497604 538575570 /nfs/dbraw/zinc/57/55/70/538575570.db2.gz GLSRZGMIRRVNCT-VIFPVBQESA-N 1 2 272.312 1.392 20 30 CDEDLO C=C(Cl)C[NH2+][C@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000299211514 356985446 /nfs/dbraw/zinc/98/54/46/356985446.db2.gz GYJUUMBBIRGBSF-QMMMGPOBSA-N 1 2 282.735 1.894 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N[C@H](C)c1ccccc1OC ZINC000299248060 357001687 /nfs/dbraw/zinc/00/16/87/357001687.db2.gz KNIXYKYXUFJQQY-HUUCEWRRSA-N 1 2 298.386 1.829 20 30 CDEDLO N#C[C@H]1N(Cc2cc[nH+]c(N)c2)CCC[C@]12CCCCO2 ZINC000556813081 357193929 /nfs/dbraw/zinc/19/39/29/357193929.db2.gz ZODAXFYNLSBGOX-GDBMZVCRSA-N 1 2 286.379 1.921 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@@H](F)C[C@H]2CO)c1 ZINC000334269261 357557481 /nfs/dbraw/zinc/55/74/81/357557481.db2.gz QMQOASFUEWHOSN-RYUDHWBXSA-N 1 2 252.264 1.602 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H](F)C[C@H]2CO)c1 ZINC000334269261 357557487 /nfs/dbraw/zinc/55/74/87/357557487.db2.gz QMQOASFUEWHOSN-RYUDHWBXSA-N 1 2 252.264 1.602 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000566467498 357790648 /nfs/dbraw/zinc/79/06/48/357790648.db2.gz WCJKDFXNIGHQKL-JTQLQIEISA-N 1 2 286.310 1.915 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000566467498 357790651 /nfs/dbraw/zinc/79/06/51/357790651.db2.gz WCJKDFXNIGHQKL-JTQLQIEISA-N 1 2 286.310 1.915 20 30 CDEDLO Cc1cncc(C[NH+]2CCN(c3ncccc3C#N)CC2)c1 ZINC000189756907 358039028 /nfs/dbraw/zinc/03/90/28/358039028.db2.gz NWKSXCRKULSYCD-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000329715355 283331952 /nfs/dbraw/zinc/33/19/52/283331952.db2.gz UWNFCECKPYQTIA-NWDGAFQWSA-N 1 2 288.413 1.395 20 30 CDEDLO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000329715355 283331954 /nfs/dbraw/zinc/33/19/54/283331954.db2.gz UWNFCECKPYQTIA-NWDGAFQWSA-N 1 2 288.413 1.395 20 30 CDEDLO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ncc[nH]3)C2=O)cc1 ZINC000192243739 358183751 /nfs/dbraw/zinc/18/37/51/358183751.db2.gz KBRCNDZAPMDSNF-CQSZACIVSA-N 1 2 295.346 1.172 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](OC(C)C)C2)nn1 ZINC000653775183 412670889 /nfs/dbraw/zinc/67/08/89/412670889.db2.gz PLTNLAXTDGDKDU-CQSZACIVSA-N 1 2 264.373 1.854 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](OC(C)C)C2)nn1 ZINC000653775183 412670892 /nfs/dbraw/zinc/67/08/92/412670892.db2.gz PLTNLAXTDGDKDU-CQSZACIVSA-N 1 2 264.373 1.854 20 30 CDEDLO C[C@H]1CCN(c2ccnc(C#N)n2)C[C@H]1n1cc[nH+]c1 ZINC000567088967 358625927 /nfs/dbraw/zinc/62/59/27/358625927.db2.gz DVDQBVBZROHVHX-NWDGAFQWSA-N 1 2 268.324 1.632 20 30 CDEDLO Cn1cnnc1C[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000320427060 358873398 /nfs/dbraw/zinc/87/33/98/358873398.db2.gz YPPJFSDFKDEESF-UHFFFAOYSA-N 1 2 298.350 1.147 20 30 CDEDLO Cn1cnnc1C[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000320427060 358873405 /nfs/dbraw/zinc/87/34/05/358873405.db2.gz YPPJFSDFKDEESF-UHFFFAOYSA-N 1 2 298.350 1.147 20 30 CDEDLO COCC[N@H+](C)Cc1cn(Cc2ccc(CC#N)cc2)nn1 ZINC000603223516 358892176 /nfs/dbraw/zinc/89/21/76/358892176.db2.gz SJXXLRBKZVEFRR-UHFFFAOYSA-N 1 2 299.378 1.471 20 30 CDEDLO COCC[N@@H+](C)Cc1cn(Cc2ccc(CC#N)cc2)nn1 ZINC000603223516 358892177 /nfs/dbraw/zinc/89/21/77/358892177.db2.gz SJXXLRBKZVEFRR-UHFFFAOYSA-N 1 2 299.378 1.471 20 30 CDEDLO CC[C@@H](F)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000569744379 359257473 /nfs/dbraw/zinc/25/74/73/359257473.db2.gz JQYWMJUWHQVAFW-CQSZACIVSA-N 1 2 293.342 1.300 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000263719282 359305142 /nfs/dbraw/zinc/30/51/42/359305142.db2.gz OGCLLQPUHMZNBB-CQSZACIVSA-N 1 2 298.390 1.371 20 30 CDEDLO C=CCCS(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000268815143 359365439 /nfs/dbraw/zinc/36/54/39/359365439.db2.gz VPGMTZWVEXFSAN-NSHDSACASA-N 1 2 269.370 1.495 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000273458787 359468341 /nfs/dbraw/zinc/46/83/41/359468341.db2.gz DILGMBXKRJMRKB-HNNXBMFYSA-N 1 2 285.391 1.255 20 30 CDEDLO C#CC[N@@H+](CC(=O)N(C)Cc1ccccc1F)C1CC1 ZINC000274006648 359489650 /nfs/dbraw/zinc/48/96/50/359489650.db2.gz ACWRJFOPODTCHL-UHFFFAOYSA-N 1 2 274.339 1.882 20 30 CDEDLO C#CC[N@H+](CC(=O)N(C)Cc1ccccc1F)C1CC1 ZINC000274006648 359489654 /nfs/dbraw/zinc/48/96/54/359489654.db2.gz ACWRJFOPODTCHL-UHFFFAOYSA-N 1 2 274.339 1.882 20 30 CDEDLO C#C[C@@H](C)NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000276862665 359550059 /nfs/dbraw/zinc/55/00/59/359550059.db2.gz KHUDYGAYZBDEHV-CYBMUJFWSA-N 1 2 287.363 1.662 20 30 CDEDLO C#CCn1ccc(CN(CC)Cc2c[nH+]cn2C)n1 ZINC000279719662 359592897 /nfs/dbraw/zinc/59/28/97/359592897.db2.gz LONVYUIAKWCZSN-UHFFFAOYSA-N 1 2 257.341 1.272 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OC)nc2)n1 ZINC000279688883 359590641 /nfs/dbraw/zinc/59/06/41/359590641.db2.gz HNGVPYMOQTVTSA-UHFFFAOYSA-N 1 2 284.363 1.942 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(OC)nc2)n1 ZINC000279688883 359590645 /nfs/dbraw/zinc/59/06/45/359590645.db2.gz HNGVPYMOQTVTSA-UHFFFAOYSA-N 1 2 284.363 1.942 20 30 CDEDLO C#Cc1ccc(C[NH+]2CC(OC(=O)NC(C)C)C2)cc1 ZINC000297455634 200196534 /nfs/dbraw/zinc/19/65/34/200196534.db2.gz RBWBLXQAORPXLB-UHFFFAOYSA-N 1 2 272.348 1.987 20 30 CDEDLO C[C@H](NC(=O)c1ccc(C#N)s1)[C@H](C)[NH+]1CCOCC1 ZINC000487306535 359945453 /nfs/dbraw/zinc/94/54/53/359945453.db2.gz OSCYAFPRVBBCDN-QWRGUYRKSA-N 1 2 293.392 1.459 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)NCCCC)C1=O ZINC000337203614 360024887 /nfs/dbraw/zinc/02/48/87/360024887.db2.gz GRSTYNKBFXGWLJ-STQMWFEESA-N 1 2 281.400 1.010 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)NCCCC)C1=O ZINC000337203614 360024891 /nfs/dbraw/zinc/02/48/91/360024891.db2.gz GRSTYNKBFXGWLJ-STQMWFEESA-N 1 2 281.400 1.010 20 30 CDEDLO C[C@H]1C[N@H+](CCSc2ccc(C#N)cn2)CCO1 ZINC000298226622 200365499 /nfs/dbraw/zinc/36/54/99/200365499.db2.gz HXSLRXIEABBOJD-NSHDSACASA-N 1 2 263.366 1.766 20 30 CDEDLO C[C@H]1C[N@@H+](CCSc2ccc(C#N)cn2)CCO1 ZINC000298226622 200365500 /nfs/dbraw/zinc/36/55/00/200365500.db2.gz HXSLRXIEABBOJD-NSHDSACASA-N 1 2 263.366 1.766 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccnn1C ZINC000348396945 360050815 /nfs/dbraw/zinc/05/08/15/360050815.db2.gz GOCBCNYQNINJGL-WFASDCNBSA-N 1 2 291.399 1.295 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccnn1C ZINC000348396945 360050818 /nfs/dbraw/zinc/05/08/18/360050818.db2.gz GOCBCNYQNINJGL-WFASDCNBSA-N 1 2 291.399 1.295 20 30 CDEDLO C[N@H+](CC#Cc1ccc(Cl)cc1)CC(=O)NC1CC1 ZINC000176989272 189019411 /nfs/dbraw/zinc/01/94/11/189019411.db2.gz VHGOYHTZSIUHCG-UHFFFAOYSA-N 1 2 276.767 1.902 20 30 CDEDLO C[N@@H+](CC#Cc1ccc(Cl)cc1)CC(=O)NC1CC1 ZINC000176989272 189019412 /nfs/dbraw/zinc/01/94/12/189019412.db2.gz VHGOYHTZSIUHCG-UHFFFAOYSA-N 1 2 276.767 1.902 20 30 CDEDLO Cn1ncc2c1nc[nH+]c2NCC#Cc1ccccc1 ZINC000337521892 360223651 /nfs/dbraw/zinc/22/36/51/360223651.db2.gz PTBOZOIMVZYCBT-UHFFFAOYSA-N 1 2 263.304 1.827 20 30 CDEDLO C[N@H+](CC#Cc1ccc(F)cc1)CC(=O)NC1CC1 ZINC000129351853 360829222 /nfs/dbraw/zinc/82/92/22/360829222.db2.gz VMGZPUODYMNURP-UHFFFAOYSA-N 1 2 260.312 1.388 20 30 CDEDLO C[N@@H+](CC#Cc1ccc(F)cc1)CC(=O)NC1CC1 ZINC000129351853 360829233 /nfs/dbraw/zinc/82/92/33/360829233.db2.gz VMGZPUODYMNURP-UHFFFAOYSA-N 1 2 260.312 1.388 20 30 CDEDLO C=C[C@@H](CC(=O)NC[C@H]1C[NH+]2CCN1CC2)c1ccccc1 ZINC000179454764 189195444 /nfs/dbraw/zinc/19/54/44/189195444.db2.gz IAWCBFPKPKTRBL-RDJZCZTQSA-N 1 2 299.418 1.462 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000051315810 360959945 /nfs/dbraw/zinc/95/99/45/360959945.db2.gz BOFOIWVUSSBWGX-UHFFFAOYSA-N 1 2 288.307 1.378 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2ccc(C#N)s2)CCO1 ZINC000179803606 189221005 /nfs/dbraw/zinc/22/10/05/189221005.db2.gz NXRSHULKZPYZTA-SNVBAGLBSA-N 1 2 252.339 1.467 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CCO1 ZINC000179803606 189221006 /nfs/dbraw/zinc/22/10/06/189221006.db2.gz NXRSHULKZPYZTA-SNVBAGLBSA-N 1 2 252.339 1.467 20 30 CDEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@H](C#N)CCC#N ZINC000157940136 361057697 /nfs/dbraw/zinc/05/76/97/361057697.db2.gz UPKFXPBXOWAKKG-NWDGAFQWSA-N 1 2 281.381 1.410 20 30 CDEDLO COC(=O)C[C@@H]1CSCC[N@H+]1C[C@H](C#N)CCC#N ZINC000157940136 361057702 /nfs/dbraw/zinc/05/77/02/361057702.db2.gz UPKFXPBXOWAKKG-NWDGAFQWSA-N 1 2 281.381 1.410 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180491765 189258024 /nfs/dbraw/zinc/25/80/24/189258024.db2.gz ZHZBEKKNYXVMCV-SECBINFHSA-N 1 2 284.281 1.674 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180491765 189258025 /nfs/dbraw/zinc/25/80/25/189258025.db2.gz ZHZBEKKNYXVMCV-SECBINFHSA-N 1 2 284.281 1.674 20 30 CDEDLO CC[N@H+](CCNC(=O)OC(C)(C)C)C[C@H](C)C#N ZINC000114208015 361182582 /nfs/dbraw/zinc/18/25/82/361182582.db2.gz FDCZLNDLGPNCHL-LLVKDONJSA-N 1 2 255.362 1.993 20 30 CDEDLO CC[N@@H+](CCNC(=O)OC(C)(C)C)C[C@H](C)C#N ZINC000114208015 361182589 /nfs/dbraw/zinc/18/25/89/361182589.db2.gz FDCZLNDLGPNCHL-LLVKDONJSA-N 1 2 255.362 1.993 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433300793 361229390 /nfs/dbraw/zinc/22/93/90/361229390.db2.gz FREDRCBQRHPZNG-UHFFFAOYSA-N 1 2 251.374 1.893 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433300793 361229396 /nfs/dbraw/zinc/22/93/96/361229396.db2.gz FREDRCBQRHPZNG-UHFFFAOYSA-N 1 2 251.374 1.893 20 30 CDEDLO C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C#N)C[C@H](C)O1 ZINC000433319396 361233004 /nfs/dbraw/zinc/23/30/04/361233004.db2.gz OHYAHALOGHEKOT-RYUDHWBXSA-N 1 2 267.373 1.104 20 30 CDEDLO C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C#N)C[C@H](C)O1 ZINC000433319396 361233010 /nfs/dbraw/zinc/23/30/10/361233010.db2.gz OHYAHALOGHEKOT-RYUDHWBXSA-N 1 2 267.373 1.104 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)CC#N ZINC000064318081 361309922 /nfs/dbraw/zinc/30/99/22/361309922.db2.gz VEXDTYFGRSJIEG-SNVBAGLBSA-N 1 2 256.309 1.763 20 30 CDEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn1C(C)C ZINC000566308554 370680243 /nfs/dbraw/zinc/68/02/43/370680243.db2.gz IQBVMUCTIROHKA-CQSZACIVSA-N 1 2 277.372 1.346 20 30 CDEDLO O=C(C[N@@H+]1CCN2C(=O)CC[C@H]2C1)NC1CCCCCC1 ZINC000329054633 361441363 /nfs/dbraw/zinc/44/13/63/361441363.db2.gz SEPNJAAPXIEQEF-AWEZNQCLSA-N 1 2 293.411 1.972 20 30 CDEDLO O=C(C[N@H+]1CCN2C(=O)CC[C@H]2C1)NC1CCCCCC1 ZINC000329054633 361441371 /nfs/dbraw/zinc/44/13/71/361441371.db2.gz SEPNJAAPXIEQEF-AWEZNQCLSA-N 1 2 293.411 1.972 20 30 CDEDLO CC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CCCO1 ZINC000329352429 361486823 /nfs/dbraw/zinc/48/68/23/361486823.db2.gz FTRXZOGYVCNCJA-UONOGXRCSA-N 1 2 299.415 1.122 20 30 CDEDLO N#Cc1ccc(NCCc2cn3ccccc3[nH+]2)nn1 ZINC000301821062 201215696 /nfs/dbraw/zinc/21/56/96/201215696.db2.gz BGAYCHMKVNGIAE-UHFFFAOYSA-N 1 2 264.292 1.651 20 30 CDEDLO COC[C@H]1C[N@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000172883489 363859363 /nfs/dbraw/zinc/85/93/63/363859363.db2.gz MLXSFUBQRLAUTB-OAHLLOKOSA-N 1 2 276.336 1.284 20 30 CDEDLO COC[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000172883489 363859369 /nfs/dbraw/zinc/85/93/69/363859369.db2.gz MLXSFUBQRLAUTB-OAHLLOKOSA-N 1 2 276.336 1.284 20 30 CDEDLO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000456369697 364266649 /nfs/dbraw/zinc/26/66/49/364266649.db2.gz FVPBGLSGPXFWJV-CQSZACIVSA-N 1 2 287.363 1.820 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000456369697 364266660 /nfs/dbraw/zinc/26/66/60/364266660.db2.gz FVPBGLSGPXFWJV-CQSZACIVSA-N 1 2 287.363 1.820 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(OC)c(F)c2)nn1 ZINC000640802098 364657543 /nfs/dbraw/zinc/65/75/43/364657543.db2.gz CXEOOHWKYNHZBY-UHFFFAOYSA-N 1 2 288.326 1.587 20 30 CDEDLO CC1(C)CCC[N@H+](C[C@@H]2CNc3c(C#N)cnn3C2)[C@H]1C#N ZINC000566678534 370790097 /nfs/dbraw/zinc/79/00/97/370790097.db2.gz GEDQLHCTCDHAJR-JSGCOSHPSA-N 1 2 298.394 1.811 20 30 CDEDLO CC1(C)CCC[N@@H+](C[C@@H]2CNc3c(C#N)cnn3C2)[C@H]1C#N ZINC000566678534 370790101 /nfs/dbraw/zinc/79/01/01/370790101.db2.gz GEDQLHCTCDHAJR-JSGCOSHPSA-N 1 2 298.394 1.811 20 30 CDEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)C#N ZINC000195444899 365403606 /nfs/dbraw/zinc/40/36/06/365403606.db2.gz ZQLNCVJDJNYXOT-SNVBAGLBSA-N 1 2 256.309 1.627 20 30 CDEDLO COc1ccc(C[NH2+][C@@H](C)c2ncn(C)n2)cc1C#N ZINC000275847422 193146127 /nfs/dbraw/zinc/14/61/27/193146127.db2.gz QXZGBMSFMHWMFR-JTQLQIEISA-N 1 2 271.324 1.546 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528738828 367963798 /nfs/dbraw/zinc/96/37/98/367963798.db2.gz NNGJHDSSICJCRF-LLVKDONJSA-N 1 2 286.379 1.403 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528738828 367963802 /nfs/dbraw/zinc/96/38/02/367963802.db2.gz NNGJHDSSICJCRF-LLVKDONJSA-N 1 2 286.379 1.403 20 30 CDEDLO C[N@H+](CC(=O)NCC#N)Cc1ccc(Cl)c(F)c1 ZINC000127713822 368370097 /nfs/dbraw/zinc/37/00/97/368370097.db2.gz HQKPBYKAVJDMNG-UHFFFAOYSA-N 1 2 269.707 1.551 20 30 CDEDLO C[N@@H+](CC(=O)NCC#N)Cc1ccc(Cl)c(F)c1 ZINC000127713822 368370105 /nfs/dbraw/zinc/37/01/05/368370105.db2.gz HQKPBYKAVJDMNG-UHFFFAOYSA-N 1 2 269.707 1.551 20 30 CDEDLO C=CCNC(=O)C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361579687 368910972 /nfs/dbraw/zinc/91/09/72/368910972.db2.gz XBABPYQGLCBFRR-UHFFFAOYSA-N 1 2 272.348 1.542 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361579687 368910974 /nfs/dbraw/zinc/91/09/74/368910974.db2.gz XBABPYQGLCBFRR-UHFFFAOYSA-N 1 2 272.348 1.542 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC000072906208 369148374 /nfs/dbraw/zinc/14/83/74/369148374.db2.gz DMIGRLWVRMNQAX-JKSUJKDBSA-N 1 2 290.407 1.266 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cnn(Cc2ccccc2)c1 ZINC000132622076 369243439 /nfs/dbraw/zinc/24/34/39/369243439.db2.gz KUIHEQKDQCZFDZ-UHFFFAOYSA-N 1 2 263.344 2.000 20 30 CDEDLO Cn1ccc2cccc(NC[C@H](O)C[N@H+](C)CCC#N)c21 ZINC000564723526 370246253 /nfs/dbraw/zinc/24/62/53/370246253.db2.gz IBMDYPDAUZSDNL-AWEZNQCLSA-N 1 2 286.379 1.797 20 30 CDEDLO Cn1ccc2cccc(NC[C@H](O)C[N@@H+](C)CCC#N)c21 ZINC000564723526 370246256 /nfs/dbraw/zinc/24/62/56/370246256.db2.gz IBMDYPDAUZSDNL-AWEZNQCLSA-N 1 2 286.379 1.797 20 30 CDEDLO Cn1ccc2ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc21 ZINC000564868611 370281494 /nfs/dbraw/zinc/28/14/94/370281494.db2.gz VBHTYVBIULQYON-HNNXBMFYSA-N 1 2 286.379 1.797 20 30 CDEDLO Cn1ccc2ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc21 ZINC000564868611 370281497 /nfs/dbraw/zinc/28/14/97/370281497.db2.gz VBHTYVBIULQYON-HNNXBMFYSA-N 1 2 286.379 1.797 20 30 CDEDLO C[C@H](C[NH+]1CCN(C(=O)CC#N)CC1)C(F)(F)F ZINC000565841543 370549538 /nfs/dbraw/zinc/54/95/38/370549538.db2.gz DNVFDFPPVZKNHJ-SECBINFHSA-N 1 2 263.263 1.243 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000566183919 370638638 /nfs/dbraw/zinc/63/86/38/370638638.db2.gz DZNYWPJHBZMGOO-UKRRQHHQSA-N 1 2 293.411 1.684 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000566183919 370638641 /nfs/dbraw/zinc/63/86/41/370638641.db2.gz DZNYWPJHBZMGOO-UKRRQHHQSA-N 1 2 293.411 1.684 20 30 CDEDLO Cc1onc(CC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C#N ZINC000331767166 204139428 /nfs/dbraw/zinc/13/94/28/204139428.db2.gz GXQJTJMYWHOOTL-NSHDSACASA-N 1 2 299.334 1.527 20 30 CDEDLO C#CC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000299642721 371509337 /nfs/dbraw/zinc/50/93/37/371509337.db2.gz QJPLNHAXCGROCD-UHFFFAOYSA-N 1 2 276.343 1.862 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCOC[C@@H]1C1CCC1)C1CC1 ZINC000573841485 371678121 /nfs/dbraw/zinc/67/81/21/371678121.db2.gz VWFJUZCACBOOQD-GDBMZVCRSA-N 1 2 291.395 1.296 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCOC[C@@H]1C1CCC1)C1CC1 ZINC000573841485 371678130 /nfs/dbraw/zinc/67/81/30/371678130.db2.gz VWFJUZCACBOOQD-GDBMZVCRSA-N 1 2 291.395 1.296 20 30 CDEDLO CC[N@@H+](Cc1cccc(C(=O)OC)n1)C[C@@H](C)C#N ZINC000577969817 372199430 /nfs/dbraw/zinc/19/94/30/372199430.db2.gz KXBWAUOXZXEAPN-NSHDSACASA-N 1 2 261.325 1.850 20 30 CDEDLO CC[N@H+](Cc1cccc(C(=O)OC)n1)C[C@@H](C)C#N ZINC000577969817 372199437 /nfs/dbraw/zinc/19/94/37/372199437.db2.gz KXBWAUOXZXEAPN-NSHDSACASA-N 1 2 261.325 1.850 20 30 CDEDLO Cc1nnc(SCC[NH+]2CCOCC2)c(C#N)c1C ZINC000272875367 372293695 /nfs/dbraw/zinc/29/36/95/372293695.db2.gz XGQHXVCAHGZUSN-UHFFFAOYSA-N 1 2 278.381 1.389 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+](CCO)C2CC2)c(C#N)c1C ZINC000050104097 372338357 /nfs/dbraw/zinc/33/83/57/372338357.db2.gz DFGYOGWGTMUIJN-UHFFFAOYSA-N 1 2 277.324 1.163 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+](CCO)C2CC2)c(C#N)c1C ZINC000050104097 372338366 /nfs/dbraw/zinc/33/83/66/372338366.db2.gz DFGYOGWGTMUIJN-UHFFFAOYSA-N 1 2 277.324 1.163 20 30 CDEDLO C[C@@H](C#N)CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000182868536 372631658 /nfs/dbraw/zinc/63/16/58/372631658.db2.gz SEZSLQZVTWEHBJ-QWRGUYRKSA-N 1 2 261.329 1.806 20 30 CDEDLO CC(C)COC[C@H]([NH2+]CC(=O)NCC#N)c1ccco1 ZINC000184170953 372645523 /nfs/dbraw/zinc/64/55/23/372645523.db2.gz IQRKUDKYOVVWJP-LBPRGKRZSA-N 1 2 279.340 1.223 20 30 CDEDLO COCC[N@@H+]1CCN(C(=O)c2cc(C#N)cs2)C[C@@H]1C ZINC000177487717 372868373 /nfs/dbraw/zinc/86/83/73/372868373.db2.gz OVEBMJWLFWBACF-NSHDSACASA-N 1 2 293.392 1.412 20 30 CDEDLO COCC[N@H+]1CCN(C(=O)c2cc(C#N)cs2)C[C@@H]1C ZINC000177487717 372868380 /nfs/dbraw/zinc/86/83/80/372868380.db2.gz OVEBMJWLFWBACF-NSHDSACASA-N 1 2 293.392 1.412 20 30 CDEDLO COC(=O)CN(CC#N)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192057697 373577496 /nfs/dbraw/zinc/57/74/96/373577496.db2.gz NVXQTTAAFJPOOY-UHFFFAOYSA-N 1 2 298.346 1.679 20 30 CDEDLO CC[C@]1(C)COCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000330528011 373688377 /nfs/dbraw/zinc/68/83/77/373688377.db2.gz RGCAEJIXEJQFAV-MRXNPFEDSA-N 1 2 287.363 1.998 20 30 CDEDLO CC[C@]1(C)COCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000330528011 373688386 /nfs/dbraw/zinc/68/83/86/373688386.db2.gz RGCAEJIXEJQFAV-MRXNPFEDSA-N 1 2 287.363 1.998 20 30 CDEDLO C=CC[C@H](CC)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000341436233 373692229 /nfs/dbraw/zinc/69/22/29/373692229.db2.gz SPFGIXVZRKUXHV-LSDHHAIUSA-N 1 2 295.427 1.847 20 30 CDEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000330550271 373702554 /nfs/dbraw/zinc/70/25/54/373702554.db2.gz CBMQLGFZBJZOKU-WFASDCNBSA-N 1 2 287.363 1.456 20 30 CDEDLO CC[N@H+]1CCOC[C@H]1C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000330550271 373702558 /nfs/dbraw/zinc/70/25/58/373702558.db2.gz CBMQLGFZBJZOKU-WFASDCNBSA-N 1 2 287.363 1.456 20 30 CDEDLO CCOC1C[NH+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000296326050 373811127 /nfs/dbraw/zinc/81/11/27/373811127.db2.gz SZDXJRABXWCZCG-ZDUSSCGKSA-N 1 2 276.336 1.019 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000342278657 374077472 /nfs/dbraw/zinc/07/74/72/374077472.db2.gz FDUZLMYBHYXFEW-VNHYZAJKSA-N 1 2 279.384 1.248 20 30 CDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@@H](O)C2)c(C#N)c1C ZINC000351776467 374282268 /nfs/dbraw/zinc/28/22/68/374282268.db2.gz BLGNUKFPTITWAR-DVYJOKAKSA-N 1 2 291.351 1.408 20 30 CDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@@H](O)C2)c(C#N)c1C ZINC000351776467 374282279 /nfs/dbraw/zinc/28/22/79/374282279.db2.gz BLGNUKFPTITWAR-DVYJOKAKSA-N 1 2 291.351 1.408 20 30 CDEDLO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000292777179 374313690 /nfs/dbraw/zinc/31/36/90/374313690.db2.gz LAMDJDYOGRNXCU-JTQLQIEISA-N 1 2 284.406 1.486 20 30 CDEDLO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000292777179 374313700 /nfs/dbraw/zinc/31/37/00/374313700.db2.gz LAMDJDYOGRNXCU-JTQLQIEISA-N 1 2 284.406 1.486 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000370091972 374379951 /nfs/dbraw/zinc/37/99/51/374379951.db2.gz DNZKUPYEKAQCHF-AWEZNQCLSA-N 1 2 291.376 1.405 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000370091972 374379955 /nfs/dbraw/zinc/37/99/55/374379955.db2.gz DNZKUPYEKAQCHF-AWEZNQCLSA-N 1 2 291.376 1.405 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000370229495 374385934 /nfs/dbraw/zinc/38/59/34/374385934.db2.gz BPCSNTYJFOHZIH-LSDHHAIUSA-N 1 2 288.347 1.711 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000370229495 374385944 /nfs/dbraw/zinc/38/59/44/374385944.db2.gz BPCSNTYJFOHZIH-LSDHHAIUSA-N 1 2 288.347 1.711 20 30 CDEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c1 ZINC000352977984 374505230 /nfs/dbraw/zinc/50/52/30/374505230.db2.gz SEYNYFPAWFNPEY-UONOGXRCSA-N 1 2 276.361 1.177 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c1 ZINC000352977984 374505236 /nfs/dbraw/zinc/50/52/36/374505236.db2.gz SEYNYFPAWFNPEY-UONOGXRCSA-N 1 2 276.361 1.177 20 30 CDEDLO COCC[N@@H+]1CCN(c2nccc(C#N)c2Cl)C[C@@H]1C ZINC000429210146 374573436 /nfs/dbraw/zinc/57/34/36/374573436.db2.gz RWURTZQMQDLWES-NSHDSACASA-N 1 2 294.786 1.764 20 30 CDEDLO COCC[N@H+]1CCN(c2nccc(C#N)c2Cl)C[C@@H]1C ZINC000429210146 374573441 /nfs/dbraw/zinc/57/34/41/374573441.db2.gz RWURTZQMQDLWES-NSHDSACASA-N 1 2 294.786 1.764 20 30 CDEDLO N#Cc1cccc(C=CC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000378200817 374635486 /nfs/dbraw/zinc/63/54/86/374635486.db2.gz LJLSHUHCDXUZHZ-GBXSZLQWSA-N 1 2 292.342 1.968 20 30 CDEDLO N#Cc1cccc(C=CC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000378200817 374635495 /nfs/dbraw/zinc/63/54/95/374635495.db2.gz LJLSHUHCDXUZHZ-GBXSZLQWSA-N 1 2 292.342 1.968 20 30 CDEDLO CSCC[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000123567400 374686218 /nfs/dbraw/zinc/68/62/18/374686218.db2.gz FYMFRUYLADNHOZ-UHFFFAOYSA-N 1 2 298.433 1.627 20 30 CDEDLO CSCC[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000123567400 374686221 /nfs/dbraw/zinc/68/62/21/374686221.db2.gz FYMFRUYLADNHOZ-UHFFFAOYSA-N 1 2 298.433 1.627 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)NCc1cccc(C#N)c1 ZINC000276618044 374737017 /nfs/dbraw/zinc/73/70/17/374737017.db2.gz QLCGFSUSBSQEGB-UHFFFAOYSA-N 1 2 268.320 1.541 20 30 CDEDLO CC[N@H+](Cc1cccc(C#N)c1F)[C@@H]1CCNC1=O ZINC000331272712 374920368 /nfs/dbraw/zinc/92/03/68/374920368.db2.gz AMMVMSGAZKWFCF-GFCCVEGCSA-N 1 2 261.300 1.408 20 30 CDEDLO CC[N@@H+](Cc1cccc(C#N)c1F)[C@@H]1CCNC1=O ZINC000331272712 374920371 /nfs/dbraw/zinc/92/03/71/374920371.db2.gz AMMVMSGAZKWFCF-GFCCVEGCSA-N 1 2 261.300 1.408 20 30 CDEDLO N#Cc1cccc([C@@H]2C[N@H+](CCN3CCCC3=O)CCO2)c1 ZINC000331574351 374973893 /nfs/dbraw/zinc/97/38/93/374973893.db2.gz HVXVUDSLCRKDET-INIZCTEOSA-N 1 2 299.374 1.554 20 30 CDEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCN3CCCC3=O)CCO2)c1 ZINC000331574351 374973898 /nfs/dbraw/zinc/97/38/98/374973898.db2.gz HVXVUDSLCRKDET-INIZCTEOSA-N 1 2 299.374 1.554 20 30 CDEDLO COC(=O)[C@H](C)[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000280738422 375018055 /nfs/dbraw/zinc/01/80/55/375018055.db2.gz MAHUROKKYFQUFL-GXFFZTMASA-N 1 2 262.309 1.085 20 30 CDEDLO COC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000280738422 375018060 /nfs/dbraw/zinc/01/80/60/375018060.db2.gz MAHUROKKYFQUFL-GXFFZTMASA-N 1 2 262.309 1.085 20 30 CDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCn2cc[nH+]c2C1 ZINC000332568662 375035359 /nfs/dbraw/zinc/03/53/59/375035359.db2.gz CBXSLMANOCCFMC-GFCCVEGCSA-N 1 2 296.330 1.564 20 30 CDEDLO COc1cc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)ccc1C#N ZINC000282367611 375082318 /nfs/dbraw/zinc/08/23/18/375082318.db2.gz QCXWNJCZGPDGNY-LSDHHAIUSA-N 1 2 299.374 1.810 20 30 CDEDLO COc1cc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)ccc1C#N ZINC000282367611 375082323 /nfs/dbraw/zinc/08/23/23/375082323.db2.gz QCXWNJCZGPDGNY-LSDHHAIUSA-N 1 2 299.374 1.810 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000424816418 375182651 /nfs/dbraw/zinc/18/26/51/375182651.db2.gz ZTXXJEIROMMIMZ-UHFFFAOYSA-N 1 2 266.385 1.570 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000133450858 375781823 /nfs/dbraw/zinc/78/18/23/375781823.db2.gz OCXNIAXHOHYGBC-CABCVRRESA-N 1 2 269.348 1.801 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000133450858 375781826 /nfs/dbraw/zinc/78/18/26/375781826.db2.gz OCXNIAXHOHYGBC-CABCVRRESA-N 1 2 269.348 1.801 20 30 CDEDLO N#C[C@H]1CC[C@H]([NH+]2CCC(c3n[nH]c(=O)[nH]3)CC2)C1 ZINC000328801952 375974756 /nfs/dbraw/zinc/97/47/56/375974756.db2.gz ZNHXSFURJIXBBH-ONGXEEELSA-N 1 2 261.329 1.382 20 30 CDEDLO CC(C)(C(=O)N[C@H]1CCCOCC1)[NH+]1CCOCC1 ZINC000328692743 375931058 /nfs/dbraw/zinc/93/10/58/375931058.db2.gz RUAWHMARLNULLG-LBPRGKRZSA-N 1 2 270.373 1.623 20 30 CDEDLO Cn1cc(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cn1 ZINC000328864681 375990866 /nfs/dbraw/zinc/99/08/66/375990866.db2.gz NAZZMXRRSNOOIJ-SNVBAGLBSA-N 1 2 274.328 1.189 20 30 CDEDLO C=CCOC[C@H]1NC(=O)N(Cc2c[nH+]c(C)cc2C)C1=O ZINC000420057871 376227432 /nfs/dbraw/zinc/22/74/32/376227432.db2.gz HYCGMKVKTPFEAM-CYBMUJFWSA-N 1 2 289.335 1.321 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246415458 376775886 /nfs/dbraw/zinc/77/58/86/376775886.db2.gz JNXWJUMFCOSJCG-YOEHRIQHSA-N 1 2 288.391 1.925 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246415458 376775891 /nfs/dbraw/zinc/77/58/91/376775891.db2.gz JNXWJUMFCOSJCG-YOEHRIQHSA-N 1 2 288.391 1.925 20 30 CDEDLO C[C@H]1CCN(S(=O)(=O)CCCC#N)C[C@H]1n1cc[nH+]c1 ZINC000247009891 377031713 /nfs/dbraw/zinc/03/17/13/377031713.db2.gz DDXJYCAHONKGDJ-QWHCGFSZSA-N 1 2 296.396 1.400 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(OCC)cc2)CC1 ZINC000073107654 377189229 /nfs/dbraw/zinc/18/92/29/377189229.db2.gz JPXLQWAARKJBGK-UHFFFAOYSA-N 1 2 258.365 1.836 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(C)(C)COC)CC1 ZINC000425504116 377858932 /nfs/dbraw/zinc/85/89/32/377858932.db2.gz LBBLTPWHCHGYRH-UHFFFAOYSA-N 1 2 256.390 1.232 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccnc3)n2CC)CC1 ZINC000283509061 378112195 /nfs/dbraw/zinc/11/21/95/378112195.db2.gz PPYBKTXUDFCJTQ-UHFFFAOYSA-N 1 2 296.378 1.115 20 30 CDEDLO C#CCCCC(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000192135653 378186114 /nfs/dbraw/zinc/18/61/14/378186114.db2.gz HZRVLQDTTWXYSQ-GFCCVEGCSA-N 1 2 279.409 1.425 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000192236093 378175443 /nfs/dbraw/zinc/17/54/43/378175443.db2.gz OGSYIIMTFZGPRH-UHFFFAOYSA-N 1 2 291.307 1.497 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000192236093 378175453 /nfs/dbraw/zinc/17/54/53/378175453.db2.gz OGSYIIMTFZGPRH-UHFFFAOYSA-N 1 2 291.307 1.497 20 30 CDEDLO C#CC[N@H+](C)CCOc1cccc(S(C)(=O)=O)c1 ZINC000192235734 378177566 /nfs/dbraw/zinc/17/75/66/378177566.db2.gz MZIAQSIXRNEHFF-UHFFFAOYSA-N 1 2 267.350 1.034 20 30 CDEDLO C#CC[N@@H+](C)CCOc1cccc(S(C)(=O)=O)c1 ZINC000192235734 378177573 /nfs/dbraw/zinc/17/75/73/378177573.db2.gz MZIAQSIXRNEHFF-UHFFFAOYSA-N 1 2 267.350 1.034 20 30 CDEDLO C#CCSCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000290315326 378374055 /nfs/dbraw/zinc/37/40/55/378374055.db2.gz NZBOZMXQVLSMJL-ZDUSSCGKSA-N 1 2 272.377 1.850 20 30 CDEDLO C=C[C@H](CO)Nc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000290540779 378386992 /nfs/dbraw/zinc/38/69/92/378386992.db2.gz ALKVPEPIAOOVHL-SECBINFHSA-N 1 2 251.334 1.020 20 30 CDEDLO C=C[C@H](CO)Nc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000290540779 378386998 /nfs/dbraw/zinc/38/69/98/378386998.db2.gz ALKVPEPIAOOVHL-SECBINFHSA-N 1 2 251.334 1.020 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000293151283 378542208 /nfs/dbraw/zinc/54/22/08/378542208.db2.gz OEMVBSODBOVWFQ-UHFFFAOYSA-N 1 2 287.363 1.282 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000293151283 378542217 /nfs/dbraw/zinc/54/22/17/378542217.db2.gz OEMVBSODBOVWFQ-UHFFFAOYSA-N 1 2 287.363 1.282 20 30 CDEDLO COCC[NH+]1CCN(c2nc(Cl)c(C#N)s2)CC1 ZINC000278764929 194144273 /nfs/dbraw/zinc/14/42/73/194144273.db2.gz UCESWKFCNUWPLU-UHFFFAOYSA-N 1 2 286.788 1.437 20 30 CDEDLO CO[C@H]1CC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000267846153 190358130 /nfs/dbraw/zinc/35/81/30/190358130.db2.gz VRGPTWDMURFEIS-RYUDHWBXSA-N 1 2 291.376 1.446 20 30 CDEDLO CO[C@H]1CC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000267846153 190358131 /nfs/dbraw/zinc/35/81/31/190358131.db2.gz VRGPTWDMURFEIS-RYUDHWBXSA-N 1 2 291.376 1.446 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)/C=C\c2ccc(C#N)cc2)CCO1 ZINC000491413461 253080490 /nfs/dbraw/zinc/08/04/90/253080490.db2.gz FFYKOXMNFVIUJS-LMVHVUTASA-N 1 2 299.374 1.408 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)/C=C\c2ccc(C#N)cc2)CCO1 ZINC000491413461 253080493 /nfs/dbraw/zinc/08/04/93/253080493.db2.gz FFYKOXMNFVIUJS-LMVHVUTASA-N 1 2 299.374 1.408 20 30 CDEDLO CCn1cc[nH+]c1C=CC(=O)Nc1ccc(C#N)cn1 ZINC000492539296 253241822 /nfs/dbraw/zinc/24/18/22/253241822.db2.gz UKFKJEFMIDBMBS-WAYWQWQTSA-N 1 2 267.292 1.243 20 30 CDEDLO N#Cc1ccc(CNC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000492813866 253301178 /nfs/dbraw/zinc/30/11/78/253301178.db2.gz QUOMHNDLILDUJG-WAYWQWQTSA-N 1 2 252.277 1.611 20 30 CDEDLO C#Cc1ccccc1CC(=O)NCCCn1cc[nH+]c1 ZINC000289397538 197328008 /nfs/dbraw/zinc/32/80/08/197328008.db2.gz RXTQUFKPWNKIKC-UHFFFAOYSA-N 1 2 267.332 1.613 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cccc(Cl)n2)C1=O ZINC000281285249 195181358 /nfs/dbraw/zinc/18/13/58/195181358.db2.gz IZYLNIKMAAWCGW-LBPRGKRZSA-N 1 2 279.771 1.954 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cccc(Cl)n2)C1=O ZINC000281285249 195181360 /nfs/dbraw/zinc/18/13/60/195181360.db2.gz IZYLNIKMAAWCGW-LBPRGKRZSA-N 1 2 279.771 1.954 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+](CC(=O)OC)[C@@H](C)CC ZINC000281466991 195252679 /nfs/dbraw/zinc/25/26/79/195252679.db2.gz VQYSUKWOJYBHCI-ZDUSSCGKSA-N 1 2 282.384 1.461 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+](CC(=O)OC)[C@@H](C)CC ZINC000281466991 195252680 /nfs/dbraw/zinc/25/26/80/195252680.db2.gz VQYSUKWOJYBHCI-ZDUSSCGKSA-N 1 2 282.384 1.461 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](CCCC)C(=O)OC)C1=O ZINC000281498636 195264739 /nfs/dbraw/zinc/26/47/39/195264739.db2.gz XYDHECRBZJBMCE-OLZOCXBDSA-N 1 2 282.384 1.437 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](CCCC)C(=O)OC)C1=O ZINC000281498636 195264740 /nfs/dbraw/zinc/26/47/40/195264740.db2.gz XYDHECRBZJBMCE-OLZOCXBDSA-N 1 2 282.384 1.437 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccnn1C1CCCC1 ZINC000575049752 335058974 /nfs/dbraw/zinc/05/89/74/335058974.db2.gz MVZIHCCKSAGSJO-OAHLLOKOSA-N 1 2 289.383 1.572 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc(C#N)c(N)n1)CCC2 ZINC000516784877 260025008 /nfs/dbraw/zinc/02/50/08/260025008.db2.gz CGTVEGUZJKBUNO-GFCCVEGCSA-N 1 2 282.351 1.452 20 30 CDEDLO C=CCCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000660295714 413042756 /nfs/dbraw/zinc/04/27/56/413042756.db2.gz UQDZDWCGRUAGRU-UHFFFAOYSA-N 1 2 258.325 1.752 20 30 CDEDLO C[N@H+](Cc1cn2ccccc2c1C#N)[C@@H]1COC[C@H]1O ZINC000285970827 390188324 /nfs/dbraw/zinc/18/83/24/390188324.db2.gz NMDYVXCVNOTVIQ-HUUCEWRRSA-N 1 2 271.320 1.002 20 30 CDEDLO C[N@@H+](Cc1cn2ccccc2c1C#N)[C@@H]1COC[C@H]1O ZINC000285970827 390188326 /nfs/dbraw/zinc/18/83/26/390188326.db2.gz NMDYVXCVNOTVIQ-HUUCEWRRSA-N 1 2 271.320 1.002 20 30 CDEDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCC(=O)NC1CC1 ZINC000106067455 390531214 /nfs/dbraw/zinc/53/12/14/390531214.db2.gz WLNAULQPGMTUAI-UHFFFAOYSA-N 1 2 281.743 1.450 20 30 CDEDLO C[C@H](C#N)C[N@H+](C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000338380639 390661998 /nfs/dbraw/zinc/66/19/98/390661998.db2.gz MEFNBUXHQZCTMV-NYTXWWLZSA-N 1 2 295.427 1.081 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000338380639 390662001 /nfs/dbraw/zinc/66/20/01/390662001.db2.gz MEFNBUXHQZCTMV-NYTXWWLZSA-N 1 2 295.427 1.081 20 30 CDEDLO C=CC[C@H](C)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000120324331 390868667 /nfs/dbraw/zinc/86/86/67/390868667.db2.gz HNBPBVZVYXTLHJ-LBPRGKRZSA-N 1 2 250.346 1.879 20 30 CDEDLO C=CC[N@@H+](CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000171749061 390945297 /nfs/dbraw/zinc/94/52/97/390945297.db2.gz XXQBXJSUYIDKSG-GFCCVEGCSA-N 1 2 275.414 1.477 20 30 CDEDLO C=CC[N@H+](CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000171749061 390945298 /nfs/dbraw/zinc/94/52/98/390945298.db2.gz XXQBXJSUYIDKSG-GFCCVEGCSA-N 1 2 275.414 1.477 20 30 CDEDLO CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccccn1 ZINC000125373039 390918271 /nfs/dbraw/zinc/91/82/71/390918271.db2.gz BPIINSWKPGYUKI-INIZCTEOSA-N 1 2 288.395 1.958 20 30 CDEDLO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccccn1 ZINC000125373039 390918273 /nfs/dbraw/zinc/91/82/73/390918273.db2.gz BPIINSWKPGYUKI-INIZCTEOSA-N 1 2 288.395 1.958 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[S@](=O)CC[C@H]1C ZINC000373033770 391102900 /nfs/dbraw/zinc/10/29/00/391102900.db2.gz XHPDEUGVZQCOJQ-BFUOFWGJSA-N 1 2 284.425 1.030 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[S@](=O)CC[C@H]1C ZINC000373033770 391102902 /nfs/dbraw/zinc/10/29/02/391102902.db2.gz XHPDEUGVZQCOJQ-BFUOFWGJSA-N 1 2 284.425 1.030 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000373403505 391118281 /nfs/dbraw/zinc/11/82/81/391118281.db2.gz OPVYNCSBPZDORJ-GOEBONIOSA-N 1 2 294.395 1.067 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000373403505 391118285 /nfs/dbraw/zinc/11/82/85/391118285.db2.gz OPVYNCSBPZDORJ-GOEBONIOSA-N 1 2 294.395 1.067 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000491427909 391124511 /nfs/dbraw/zinc/12/45/11/391124511.db2.gz MMFGAWNRYVDDMR-VIFPVBQESA-N 1 2 296.168 1.736 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000491427909 391124516 /nfs/dbraw/zinc/12/45/16/391124516.db2.gz MMFGAWNRYVDDMR-VIFPVBQESA-N 1 2 296.168 1.736 20 30 CDEDLO CC#CC[N@@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000336368660 391136878 /nfs/dbraw/zinc/13/68/78/391136878.db2.gz JWRBQMPVYAXGEW-UHFFFAOYSA-N 1 2 278.377 1.292 20 30 CDEDLO CC#CC[N@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000336368660 391136881 /nfs/dbraw/zinc/13/68/81/391136881.db2.gz JWRBQMPVYAXGEW-UHFFFAOYSA-N 1 2 278.377 1.292 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](O)c1ccc(Cl)cc1 ZINC000491629290 391169437 /nfs/dbraw/zinc/16/94/37/391169437.db2.gz OBCZMCPTFUMDKG-KGLIPLIRSA-N 1 2 265.740 1.707 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](O)c1ccc(Cl)cc1 ZINC000491629290 391169440 /nfs/dbraw/zinc/16/94/40/391169440.db2.gz OBCZMCPTFUMDKG-KGLIPLIRSA-N 1 2 265.740 1.707 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339131652 391258421 /nfs/dbraw/zinc/25/84/21/391258421.db2.gz HSPWEBBTDBACKQ-UHFFFAOYSA-N 1 2 266.297 1.935 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339131652 391258424 /nfs/dbraw/zinc/25/84/24/391258424.db2.gz HSPWEBBTDBACKQ-UHFFFAOYSA-N 1 2 266.297 1.935 20 30 CDEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CC2OCCO2)CC1 ZINC000182668726 391239023 /nfs/dbraw/zinc/23/90/23/391239023.db2.gz LBKYNLBUXPNMAG-HNNXBMFYSA-N 1 2 287.363 1.242 20 30 CDEDLO C=CCOCC[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000339052429 391246573 /nfs/dbraw/zinc/24/65/73/391246573.db2.gz IZDWYGLMYMEZJU-SUMWQHHRSA-N 1 2 297.358 1.534 20 30 CDEDLO C=CCOCC[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000339052429 391246576 /nfs/dbraw/zinc/24/65/76/391246576.db2.gz IZDWYGLMYMEZJU-SUMWQHHRSA-N 1 2 297.358 1.534 20 30 CDEDLO N#CCC[N@H+]1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375793079 391198109 /nfs/dbraw/zinc/19/81/09/391198109.db2.gz SAESACCNHFTADX-OLZOCXBDSA-N 1 2 281.356 1.270 20 30 CDEDLO N#CCC[N@@H+]1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375793079 391198114 /nfs/dbraw/zinc/19/81/14/391198114.db2.gz SAESACCNHFTADX-OLZOCXBDSA-N 1 2 281.356 1.270 20 30 CDEDLO COC(=O)[C@H]1C[N@H+](CCC(C)(C)C#N)C[C@@H](C)O1 ZINC000338357083 391200034 /nfs/dbraw/zinc/20/00/34/391200034.db2.gz MRJHLRUGVHLKHP-GHMZBOCLSA-N 1 2 254.330 1.189 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+](CCC(C)(C)C#N)C[C@@H](C)O1 ZINC000338357083 391200037 /nfs/dbraw/zinc/20/00/37/391200037.db2.gz MRJHLRUGVHLKHP-GHMZBOCLSA-N 1 2 254.330 1.189 20 30 CDEDLO CC[C@H](C(=O)NCC1(C#N)CCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000416346218 391285265 /nfs/dbraw/zinc/28/52/65/391285265.db2.gz KBTFGCHAVSVVLY-ZIAGYGMSSA-N 1 2 293.411 1.686 20 30 CDEDLO CC[C@H](C(=O)NCC1(C#N)CCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000416346218 391285268 /nfs/dbraw/zinc/28/52/68/391285268.db2.gz KBTFGCHAVSVVLY-ZIAGYGMSSA-N 1 2 293.411 1.686 20 30 CDEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(N)=O ZINC000352903855 391309758 /nfs/dbraw/zinc/30/97/58/391309758.db2.gz SHVDSDIJUQDLFH-LBPRGKRZSA-N 1 2 264.373 1.716 20 30 CDEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(N)=O ZINC000352903855 391309762 /nfs/dbraw/zinc/30/97/62/391309762.db2.gz SHVDSDIJUQDLFH-LBPRGKRZSA-N 1 2 264.373 1.716 20 30 CDEDLO C=C(C)[C@H](CC(=O)Nc1cc[nH+]cc1O)OCC ZINC000339600893 391316355 /nfs/dbraw/zinc/31/63/55/391316355.db2.gz XNNWLBRHNCCVHD-LBPRGKRZSA-N 1 2 250.298 1.519 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000354266428 391413243 /nfs/dbraw/zinc/41/32/43/391413243.db2.gz NNKHMVCENHFBJH-IUODEOHRSA-N 1 2 272.352 1.716 20 30 CDEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@H](C#N)C1 ZINC000106052498 391337985 /nfs/dbraw/zinc/33/79/85/391337985.db2.gz TZLDCQTZTPKBLB-GFCCVEGCSA-N 1 2 298.346 1.350 20 30 CDEDLO COCC[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccco1 ZINC000346829646 391373874 /nfs/dbraw/zinc/37/38/74/391373874.db2.gz RDQQYEXQKNHGMX-UHFFFAOYSA-N 1 2 291.351 1.290 20 30 CDEDLO COCC[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccco1 ZINC000346829646 391373877 /nfs/dbraw/zinc/37/38/77/391373877.db2.gz RDQQYEXQKNHGMX-UHFFFAOYSA-N 1 2 291.351 1.290 20 30 CDEDLO Cc1[nH+]ccn1CCNC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC000328918440 391394283 /nfs/dbraw/zinc/39/42/83/391394283.db2.gz BGQNQOWXXZFXOL-JTQLQIEISA-N 1 2 274.328 1.071 20 30 CDEDLO Cc1[nH+]ccn1CCNC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC000328918440 391394286 /nfs/dbraw/zinc/39/42/86/391394286.db2.gz BGQNQOWXXZFXOL-JTQLQIEISA-N 1 2 274.328 1.071 20 30 CDEDLO Cn1cc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)ccc1=O ZINC000328989272 391403126 /nfs/dbraw/zinc/40/31/26/391403126.db2.gz RVQLRSYYWZFXMY-JTQLQIEISA-N 1 2 272.308 1.432 20 30 CDEDLO CCO[C@@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)C1=CCCC1 ZINC000521442767 391429526 /nfs/dbraw/zinc/42/95/26/391429526.db2.gz QLNSMBSRPKVOGI-GOEBONIOSA-N 1 2 293.411 1.852 20 30 CDEDLO Cc1nc(NCc2cccc(C(=O)N[C@@H](C)C#N)c2)cc[nH+]1 ZINC000348734373 391452075 /nfs/dbraw/zinc/45/20/75/391452075.db2.gz IGYYLGUZQBBLLA-NSHDSACASA-N 1 2 295.346 1.461 20 30 CDEDLO C=CCCC1(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000355656696 391462787 /nfs/dbraw/zinc/46/27/87/391462787.db2.gz KKIBBLNSTXAHGG-CYBMUJFWSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CCCC1(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000355656696 391462790 /nfs/dbraw/zinc/46/27/90/391462790.db2.gz KKIBBLNSTXAHGG-CYBMUJFWSA-N 1 2 266.385 1.570 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1cnn(C)c1 ZINC000330405257 391416927 /nfs/dbraw/zinc/41/69/27/391416927.db2.gz NBYSEHQHAJEYNR-IUODEOHRSA-N 1 2 291.399 1.295 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1cnn(C)c1 ZINC000330405257 391416930 /nfs/dbraw/zinc/41/69/30/391416930.db2.gz NBYSEHQHAJEYNR-IUODEOHRSA-N 1 2 291.399 1.295 20 30 CDEDLO C=CCN(C)CC[N@@H+](CC)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000411647479 391501868 /nfs/dbraw/zinc/50/18/68/391501868.db2.gz OAZZUWLXNISALQ-UHFFFAOYSA-N 1 2 290.411 1.999 20 30 CDEDLO C=CCN(C)CC[N@H+](CC)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000411647479 391501872 /nfs/dbraw/zinc/50/18/72/391501872.db2.gz OAZZUWLXNISALQ-UHFFFAOYSA-N 1 2 290.411 1.999 20 30 CDEDLO C#CC[N@H+](Cc1ccccc1)C[C@H]1CCCS(=O)(=O)C1 ZINC000285829315 391508358 /nfs/dbraw/zinc/50/83/58/391508358.db2.gz VXGWTRBCSRIKMM-MRXNPFEDSA-N 1 2 291.416 1.947 20 30 CDEDLO C#CC[N@@H+](Cc1ccccc1)C[C@H]1CCCS(=O)(=O)C1 ZINC000285829315 391508367 /nfs/dbraw/zinc/50/83/67/391508367.db2.gz VXGWTRBCSRIKMM-MRXNPFEDSA-N 1 2 291.416 1.947 20 30 CDEDLO CC(=O)c1ccc2c(c1)C[N@H+](CCC(=O)N(C)CCC#N)C2 ZINC000411937705 391535468 /nfs/dbraw/zinc/53/54/68/391535468.db2.gz HKEWNJVYIUJJEM-UHFFFAOYSA-N 1 2 299.374 1.967 20 30 CDEDLO CC(=O)c1ccc2c(c1)C[N@@H+](CCC(=O)N(C)CCC#N)C2 ZINC000411937705 391535473 /nfs/dbraw/zinc/53/54/73/391535473.db2.gz HKEWNJVYIUJJEM-UHFFFAOYSA-N 1 2 299.374 1.967 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000335726338 391551705 /nfs/dbraw/zinc/55/17/05/391551705.db2.gz SYAMQWNIWSWERI-NSHDSACASA-N 1 2 263.366 1.552 20 30 CDEDLO CCC(CC)[C@@H](C(=O)NCC(C)(C)C#N)[NH+]1CCOCC1 ZINC000359650002 391607873 /nfs/dbraw/zinc/60/78/73/391607873.db2.gz NNICZWNHRBKFCR-AWEZNQCLSA-N 1 2 295.427 1.789 20 30 CDEDLO CCOC(=O)[C@@H]([NH2+]CCCC#N)[C@@H]1CCCOC1 ZINC000359804739 391616417 /nfs/dbraw/zinc/61/64/17/391616417.db2.gz IJPGBUPDPDOLSX-NEPJUHHUSA-N 1 2 254.330 1.238 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCc3cccc(F)c3C2)C1=O ZINC000281940613 391666247 /nfs/dbraw/zinc/66/62/47/391666247.db2.gz IUSBSTDZBYRSAR-OAHLLOKOSA-N 1 2 274.339 1.971 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCc3cccc(F)c3C2)C1=O ZINC000281940613 391666251 /nfs/dbraw/zinc/66/62/51/391666251.db2.gz IUSBSTDZBYRSAR-OAHLLOKOSA-N 1 2 274.339 1.971 20 30 CDEDLO C#C[C@@H](NC(=O)c1ccnc(-n2cc[nH+]c2)c1)C(C)C ZINC000282022424 391669680 /nfs/dbraw/zinc/66/96/80/391669680.db2.gz LEHDALWIMJBQOK-CYBMUJFWSA-N 1 2 268.320 1.655 20 30 CDEDLO CC[C@@]1(C)C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000135705988 391735222 /nfs/dbraw/zinc/73/52/22/391735222.db2.gz PDYFFKQFAUOOJY-JSGCOSHPSA-N 1 2 267.373 1.248 20 30 CDEDLO CC[C@@]1(C)C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000135705988 391735224 /nfs/dbraw/zinc/73/52/24/391735224.db2.gz PDYFFKQFAUOOJY-JSGCOSHPSA-N 1 2 267.373 1.248 20 30 CDEDLO CC(C)c1nn(C)cc1[NH+]=C([O-])N1CCn2c[nH+]cc2C1 ZINC000329771088 391777305 /nfs/dbraw/zinc/77/73/05/391777305.db2.gz GPNWZDLTQGYSIL-UHFFFAOYSA-N 1 2 288.355 1.801 20 30 CDEDLO CN(C[C@H]1CCCO1)C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329747165 391769802 /nfs/dbraw/zinc/76/98/02/391769802.db2.gz ZGBSUHIDAXTHSH-WDEREUQCSA-N 1 2 278.356 1.292 20 30 CDEDLO CN(C[C@H]1CCCO1)C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329747165 391769804 /nfs/dbraw/zinc/76/98/04/391769804.db2.gz ZGBSUHIDAXTHSH-WDEREUQCSA-N 1 2 278.356 1.292 20 30 CDEDLO C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329824097 391785943 /nfs/dbraw/zinc/78/59/43/391785943.db2.gz ZWPMOHYJTZQOHS-LPWJVIDDSA-N 1 2 268.357 1.374 20 30 CDEDLO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329824097 391785945 /nfs/dbraw/zinc/78/59/45/391785945.db2.gz ZWPMOHYJTZQOHS-LPWJVIDDSA-N 1 2 268.357 1.374 20 30 CDEDLO [O-]C(N[C@@H]1CC[N@@H+](C2CC2)C1)=[NH+][C@@H]1CCc2c[nH]nc2C1 ZINC000329827367 391786040 /nfs/dbraw/zinc/78/60/40/391786040.db2.gz IYRULLODLINIPA-VXGBXAGGSA-N 1 2 289.383 1.007 20 30 CDEDLO [O-]C(N[C@@H]1CC[N@H+](C2CC2)C1)=[NH+][C@@H]1CCc2c[nH]nc2C1 ZINC000329827367 391786044 /nfs/dbraw/zinc/78/60/44/391786044.db2.gz IYRULLODLINIPA-VXGBXAGGSA-N 1 2 289.383 1.007 20 30 CDEDLO CC1(C)CC[C@@H](C(=O)NCC2([NH+]3CCOCC3)CC2)O1 ZINC000329902674 391796673 /nfs/dbraw/zinc/79/66/73/391796673.db2.gz HWAYCCPFQOLTEY-LBPRGKRZSA-N 1 2 282.384 1.765 20 30 CDEDLO CO[C@@H]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000329962910 391806993 /nfs/dbraw/zinc/80/69/93/391806993.db2.gz SYSTYRXIZHPXAS-GMXVVIOVSA-N 1 2 263.341 1.970 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000072979717 391890020 /nfs/dbraw/zinc/89/00/20/391890020.db2.gz XCQUYEPZLDOAPA-GJZGRUSLSA-N 1 2 295.427 1.741 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCOC[C@@H]1CC(C)C ZINC000072979717 391890021 /nfs/dbraw/zinc/89/00/21/391890021.db2.gz XCQUYEPZLDOAPA-GJZGRUSLSA-N 1 2 295.427 1.741 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000408323159 391920285 /nfs/dbraw/zinc/92/02/85/391920285.db2.gz XZIMMGGGDCIKKQ-WFASDCNBSA-N 1 2 281.400 1.540 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000408323159 391920292 /nfs/dbraw/zinc/92/02/92/391920292.db2.gz XZIMMGGGDCIKKQ-WFASDCNBSA-N 1 2 281.400 1.540 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)C1(C#N)CCCC1 ZINC000170864959 391957250 /nfs/dbraw/zinc/95/72/50/391957250.db2.gz IREMCMWRIVFGDW-UHFFFAOYSA-N 1 2 279.384 1.297 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)C1(C#N)CCCC1 ZINC000170864959 391957258 /nfs/dbraw/zinc/95/72/58/391957258.db2.gz IREMCMWRIVFGDW-UHFFFAOYSA-N 1 2 279.384 1.297 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000342989969 392073428 /nfs/dbraw/zinc/07/34/28/392073428.db2.gz IUIVPEJFZNEZHU-ZIAGYGMSSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000342989969 392073436 /nfs/dbraw/zinc/07/34/36/392073436.db2.gz IUIVPEJFZNEZHU-ZIAGYGMSSA-N 1 2 283.416 1.751 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000342804340 392045670 /nfs/dbraw/zinc/04/56/70/392045670.db2.gz QFNHJWWUQUVPJH-GFCCVEGCSA-N 1 2 279.296 1.180 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000342804340 392045671 /nfs/dbraw/zinc/04/56/71/392045671.db2.gz QFNHJWWUQUVPJH-GFCCVEGCSA-N 1 2 279.296 1.180 20 30 CDEDLO C=CCCOCCCCC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000342868458 392052025 /nfs/dbraw/zinc/05/20/25/392052025.db2.gz WWIJJJRYZROKIL-OAHLLOKOSA-N 1 2 297.443 1.111 20 30 CDEDLO C=CCCOCCCCC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000342868458 392052032 /nfs/dbraw/zinc/05/20/32/392052032.db2.gz WWIJJJRYZROKIL-OAHLLOKOSA-N 1 2 297.443 1.111 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@@H](C)O1 ZINC000252010743 392246187 /nfs/dbraw/zinc/24/61/87/392246187.db2.gz XPPAFQVTOSJTAI-RISCZKNCSA-N 1 2 278.327 1.933 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H](C)O1 ZINC000252010743 392246190 /nfs/dbraw/zinc/24/61/90/392246190.db2.gz XPPAFQVTOSJTAI-RISCZKNCSA-N 1 2 278.327 1.933 20 30 CDEDLO CC#CC[C@H](CO)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000646301635 392367991 /nfs/dbraw/zinc/36/79/91/392367991.db2.gz BEEGCRXWQOJDJK-GFCCVEGCSA-N 1 2 261.325 1.594 20 30 CDEDLO COC1C[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000459583011 392479646 /nfs/dbraw/zinc/47/96/46/392479646.db2.gz OOXRIAQMPBXWMS-UHFFFAOYSA-N 1 2 282.347 1.789 20 30 CDEDLO Cc1nc(C#N)c(C#N)n1Cc1[nH+]ccn1CC(F)(F)F ZINC000442906298 392508795 /nfs/dbraw/zinc/50/87/95/392508795.db2.gz VFFXYIOALGASHE-UHFFFAOYSA-N 1 2 294.240 1.742 20 30 CDEDLO Cc1cc(NC[C@@H](C)Cn2cccn2)c(C#N)c[nH+]1 ZINC000425203816 392991772 /nfs/dbraw/zinc/99/17/72/392991772.db2.gz GOUCRYVECVRZEP-LLVKDONJSA-N 1 2 255.325 1.628 20 30 CDEDLO Cc1cc(N2CCN(c3cnccn3)CC2)c(C#N)c[nH+]1 ZINC000425206522 392993663 /nfs/dbraw/zinc/99/36/63/392993663.db2.gz JZGGBZAEUSZGOD-UHFFFAOYSA-N 1 2 280.335 1.378 20 30 CDEDLO CNC(=O)[C@@H]1CCC[C@@H]1Nc1cc(C)[nH+]cc1C#N ZINC000425243460 393001807 /nfs/dbraw/zinc/00/18/07/393001807.db2.gz FODPROUBJXGERN-NEPJUHHUSA-N 1 2 258.325 1.010 20 30 CDEDLO CCO[C@@H]1C[C@](O)(CNc2cc(C)[nH+]cc2C#N)C1(C)C ZINC000425252413 393005984 /nfs/dbraw/zinc/00/59/84/393005984.db2.gz HDQZMITUHMDHEY-ZBFHGGJFSA-N 1 2 289.379 1.662 20 30 CDEDLO COc1cc[nH+]cc1CNc1ncc([N+](=O)[O-])cc1C#N ZINC000431471542 393110793 /nfs/dbraw/zinc/11/07/93/393110793.db2.gz NMUCNADQORWFIO-UHFFFAOYSA-N 1 2 285.263 1.299 20 30 CDEDLO CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1cnn(C)c1 ZINC000195518588 140158783 /nfs/dbraw/zinc/15/87/83/140158783.db2.gz FUQDQJFTPMDJOC-UHFFFAOYSA-N 1 2 297.362 1.752 20 30 CDEDLO CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1cnn(C)c1 ZINC000195518588 140158784 /nfs/dbraw/zinc/15/87/84/140158784.db2.gz FUQDQJFTPMDJOC-UHFFFAOYSA-N 1 2 297.362 1.752 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)cc1C#N ZINC000187415659 397926410 /nfs/dbraw/zinc/92/64/10/397926410.db2.gz GSELVPXWDOMNSW-RISCZKNCSA-N 1 2 287.363 1.653 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)cc1C#N ZINC000187415659 397926416 /nfs/dbraw/zinc/92/64/16/397926416.db2.gz GSELVPXWDOMNSW-RISCZKNCSA-N 1 2 287.363 1.653 20 30 CDEDLO Cc1ccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c(C)n1 ZINC000329518042 292140780 /nfs/dbraw/zinc/14/07/80/292140780.db2.gz NKJNOZJDHGNUIA-UONOGXRCSA-N 1 2 290.367 1.259 20 30 CDEDLO Cc1ccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c(C)n1 ZINC000329518042 292140781 /nfs/dbraw/zinc/14/07/81/292140781.db2.gz NKJNOZJDHGNUIA-UONOGXRCSA-N 1 2 290.367 1.259 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccon3)CC2)o1 ZINC000093560941 147057437 /nfs/dbraw/zinc/05/74/37/147057437.db2.gz BZBXRHMNZMOCPV-UHFFFAOYSA-N 1 2 272.308 1.457 20 30 CDEDLO CO[C@H]1CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000267846152 286061462 /nfs/dbraw/zinc/06/14/62/286061462.db2.gz VRGPTWDMURFEIS-NWDGAFQWSA-N 1 2 291.376 1.446 20 30 CDEDLO CO[C@H]1CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000267846152 286061464 /nfs/dbraw/zinc/06/14/64/286061464.db2.gz VRGPTWDMURFEIS-NWDGAFQWSA-N 1 2 291.376 1.446 20 30 CDEDLO N#Cc1cc(C[N@H+]2CC[C@](F)(CO)C2)ccc1F ZINC000335059051 150241411 /nfs/dbraw/zinc/24/14/11/150241411.db2.gz FIQRVBAKJXPHGQ-CYBMUJFWSA-N 1 2 252.264 1.604 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CC[C@](F)(CO)C2)ccc1F ZINC000335059051 150241412 /nfs/dbraw/zinc/24/14/12/150241412.db2.gz FIQRVBAKJXPHGQ-CYBMUJFWSA-N 1 2 252.264 1.604 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cccc(F)c1C#N ZINC000335827272 151054044 /nfs/dbraw/zinc/05/40/44/151054044.db2.gz IFZFZWQRXNDWPO-UHFFFAOYSA-N 1 2 258.256 1.659 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)N1CCn2c[nH+]cc2C1 ZINC000660578095 413256850 /nfs/dbraw/zinc/25/68/50/413256850.db2.gz JOJSPFGMMKHGMJ-CYBMUJFWSA-N 1 2 274.368 1.288 20 30 CDEDLO Cn1cc(C[N@H+](C)CC(=O)NCc2cccc(C#N)c2)cn1 ZINC000349118276 154055571 /nfs/dbraw/zinc/05/55/71/154055571.db2.gz FDQVTQZWWFWHMU-UHFFFAOYSA-N 1 2 297.362 1.040 20 30 CDEDLO Cn1cc(C[N@@H+](C)CC(=O)NCc2cccc(C#N)c2)cn1 ZINC000349118276 154055573 /nfs/dbraw/zinc/05/55/73/154055573.db2.gz FDQVTQZWWFWHMU-UHFFFAOYSA-N 1 2 297.362 1.040 20 30 CDEDLO N#Cc1ccc(C(=O)CNC(=O)CCn2cc[nH+]c2)cc1 ZINC000356144375 157372259 /nfs/dbraw/zinc/37/22/59/157372259.db2.gz YPAKPODVEAZDLL-UHFFFAOYSA-N 1 2 282.303 1.144 20 30 CDEDLO Cc1[nH]c(C(=O)NCC(=O)c2ccc(C#N)cc2)c[nH+]1 ZINC000356161881 157378732 /nfs/dbraw/zinc/37/87/32/157378732.db2.gz DPMRVJHJOCNYFX-UHFFFAOYSA-N 1 2 268.276 1.203 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000363543683 159327280 /nfs/dbraw/zinc/32/72/80/159327280.db2.gz GBVFNQXUGVOYCU-OAHLLOKOSA-N 1 2 285.347 1.105 20 30 CDEDLO C[C@H]1COCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000374334005 160275422 /nfs/dbraw/zinc/27/54/22/160275422.db2.gz SRVMPJHMCLGYTB-GFCCVEGCSA-N 1 2 273.336 1.465 20 30 CDEDLO C[C@H]1COCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000374334005 160275424 /nfs/dbraw/zinc/27/54/24/160275424.db2.gz SRVMPJHMCLGYTB-GFCCVEGCSA-N 1 2 273.336 1.465 20 30 CDEDLO C=CCCCCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000664699151 413601133 /nfs/dbraw/zinc/60/11/33/413601133.db2.gz RHTNGOODYNYNIG-KGLIPLIRSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CCCCCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000664699151 413601142 /nfs/dbraw/zinc/60/11/42/413601142.db2.gz RHTNGOODYNYNIG-KGLIPLIRSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cncc1F ZINC000285518137 196312018 /nfs/dbraw/zinc/31/20/18/196312018.db2.gz DSWYHYBMGBZNHC-IUCAKERBSA-N 1 2 269.295 1.701 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661281032 413948999 /nfs/dbraw/zinc/94/89/99/413948999.db2.gz VZOREIGWFQEDLP-NEPJUHHUSA-N 1 2 264.329 1.285 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661281032 413949006 /nfs/dbraw/zinc/94/90/06/413949006.db2.gz VZOREIGWFQEDLP-NEPJUHHUSA-N 1 2 264.329 1.285 20 30 CDEDLO C=CC[N@H+](CC(=O)Nc1cc(C)no1)[C@@H](C)COC ZINC000661242854 413911611 /nfs/dbraw/zinc/91/16/11/413911611.db2.gz GJBOUWIIJRYSBC-NSHDSACASA-N 1 2 267.329 1.444 20 30 CDEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)no1)[C@@H](C)COC ZINC000661242854 413911617 /nfs/dbraw/zinc/91/16/17/413911617.db2.gz GJBOUWIIJRYSBC-NSHDSACASA-N 1 2 267.329 1.444 20 30 CDEDLO C=C[C@@](C)(O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000665437636 414182191 /nfs/dbraw/zinc/18/21/91/414182191.db2.gz GSKGGJFFGJBALW-CQSZACIVSA-N 1 2 280.393 1.329 20 30 CDEDLO CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000043468036 175053373 /nfs/dbraw/zinc/05/33/73/175053373.db2.gz RHNFKJGJACICDV-UHFFFAOYSA-N 1 2 272.352 1.405 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000045173541 175322227 /nfs/dbraw/zinc/32/22/27/175322227.db2.gz LALWHBONGNIMQR-GFCCVEGCSA-N 1 2 266.366 1.872 20 30 CDEDLO Cn1cc[nH+]c1CNc1nc2c(cc1C#N)CCC2 ZINC000071140337 176038599 /nfs/dbraw/zinc/03/85/99/176038599.db2.gz QMVZULJCIMCHFD-UHFFFAOYSA-N 1 2 253.309 1.788 20 30 CDEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(O)CC2)c(C#N)c1C ZINC000071832673 176273399 /nfs/dbraw/zinc/27/33/99/176273399.db2.gz AXALFUCTHWULTD-JTQLQIEISA-N 1 2 291.351 1.552 20 30 CDEDLO CN(C)C(=O)N[C@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000334655421 225258811 /nfs/dbraw/zinc/25/88/11/225258811.db2.gz YYTSARHQSYXSJM-NSHDSACASA-N 1 2 250.346 1.026 20 30 CDEDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000334655421 225258816 /nfs/dbraw/zinc/25/88/16/225258816.db2.gz YYTSARHQSYXSJM-NSHDSACASA-N 1 2 250.346 1.026 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000575165711 335074316 /nfs/dbraw/zinc/07/43/16/335074316.db2.gz FNSNEOFGXMYERS-BXUZGUMPSA-N 1 2 263.341 1.060 20 30 CDEDLO Cc1noc([C@H]2C[C@@H](O)C[N@@H+]2Cc2ccc(CC#N)cc2)n1 ZINC000331794192 228128631 /nfs/dbraw/zinc/12/86/31/228128631.db2.gz HLCKEVOFMAVIFR-HUUCEWRRSA-N 1 2 298.346 1.752 20 30 CDEDLO Cc1noc([C@H]2C[C@@H](O)C[N@H+]2Cc2ccc(CC#N)cc2)n1 ZINC000331794192 228128633 /nfs/dbraw/zinc/12/86/33/228128633.db2.gz HLCKEVOFMAVIFR-HUUCEWRRSA-N 1 2 298.346 1.752 20 30 CDEDLO C[C@@H]1COCC[C@@H]1NC(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000330330673 228154103 /nfs/dbraw/zinc/15/41/03/228154103.db2.gz NLPMYNRYQQKZQR-UPJWGTAASA-N 1 2 292.383 1.689 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H](O)C12CCCC2 ZINC000330348064 228162750 /nfs/dbraw/zinc/16/27/50/228162750.db2.gz IIFZEAHJZOAYNK-OLZOCXBDSA-N 1 2 292.383 1.565 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CC[C@H](O)C12CCCC2 ZINC000330348064 228162751 /nfs/dbraw/zinc/16/27/51/228162751.db2.gz IIFZEAHJZOAYNK-OLZOCXBDSA-N 1 2 292.383 1.565 20 30 CDEDLO N#CCCN(CCCCF)CC[NH+]1CCOCC1 ZINC000352016221 228174594 /nfs/dbraw/zinc/17/45/94/228174594.db2.gz VXXKPUMVLSWNPR-UHFFFAOYSA-N 1 2 257.353 1.284 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000333416280 228200146 /nfs/dbraw/zinc/20/01/46/228200146.db2.gz QSZHKSJBNVEBRU-RWMBFGLXSA-N 1 2 287.367 1.752 20 30 CDEDLO N#CCC1(CS(=O)(=O)N2CCOc3cc[nH+]cc32)CC1 ZINC000333436345 228200781 /nfs/dbraw/zinc/20/07/81/228200781.db2.gz ORMHGSVEIDVUCW-UHFFFAOYSA-N 1 2 293.348 1.304 20 30 CDEDLO N#CCC[N@@H+](CC(=O)NCc1cccnc1)CC1CC1 ZINC000081514716 260334129 /nfs/dbraw/zinc/33/41/29/260334129.db2.gz QQHPMZRZIWNKGA-UHFFFAOYSA-N 1 2 272.352 1.323 20 30 CDEDLO N#CCC[N@H+](CC(=O)NCc1cccnc1)CC1CC1 ZINC000081514716 260334131 /nfs/dbraw/zinc/33/41/31/260334131.db2.gz QQHPMZRZIWNKGA-UHFFFAOYSA-N 1 2 272.352 1.323 20 30 CDEDLO CCCO[NH+]=C(N)COc1cccc(C(=O)OC)c1 ZINC000085265400 260372364 /nfs/dbraw/zinc/37/23/64/260372364.db2.gz PKUVRXYTGCEDID-UHFFFAOYSA-N 1 2 266.297 1.551 20 30 CDEDLO Cn1ccc(CN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000156420082 261123223 /nfs/dbraw/zinc/12/32/23/261123223.db2.gz NVJHXSQQOXYGEB-UHFFFAOYSA-N 1 2 276.384 1.073 20 30 CDEDLO CC#CCCO[NH+]=C(N)COc1ccccc1F ZINC000186862098 262112800 /nfs/dbraw/zinc/11/28/00/262112800.db2.gz GXNHVVZZCRYOPI-UHFFFAOYSA-N 1 2 250.273 1.907 20 30 CDEDLO C#CCCCCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000160737808 262299857 /nfs/dbraw/zinc/29/98/57/262299857.db2.gz OVQLZUXJHNOZOJ-UHFFFAOYSA-N 1 2 288.395 1.865 20 30 CDEDLO CCOc1cc(CO[NH+]=C(N)CCO)ccc1[N+](=O)[O-] ZINC000283621523 263083660 /nfs/dbraw/zinc/08/36/60/263083660.db2.gz VZKVWXDOPVDYCZ-UHFFFAOYSA-N 1 2 283.284 1.165 20 30 CDEDLO CC(C)n1ccc(CO[NH+]=C(N)[C@H]2CCCO2)n1 ZINC000283758809 263084107 /nfs/dbraw/zinc/08/41/07/263084107.db2.gz ASEBTGNWYZGRHA-LLVKDONJSA-N 1 2 252.318 1.432 20 30 CDEDLO CN(Cc1ccccc1)C(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000284532630 263087316 /nfs/dbraw/zinc/08/73/16/263087316.db2.gz VBECNUXGGWLFJX-CYBMUJFWSA-N 1 2 291.351 1.113 20 30 CDEDLO CC[N@H+](CCC#N)Cc1cc(C(=O)OC)c(C)n1C ZINC000291281878 263121134 /nfs/dbraw/zinc/12/11/34/263121134.db2.gz UWZUHJHJHNUUSK-UHFFFAOYSA-N 1 2 263.341 1.856 20 30 CDEDLO CC[N@@H+](CCC#N)Cc1cc(C(=O)OC)c(C)n1C ZINC000291281878 263121135 /nfs/dbraw/zinc/12/11/35/263121135.db2.gz UWZUHJHJHNUUSK-UHFFFAOYSA-N 1 2 263.341 1.856 20 30 CDEDLO CC/C(C)=C/C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000294556951 263164066 /nfs/dbraw/zinc/16/40/66/263164066.db2.gz NBJLUHPUWMGQBS-BUHFOSPRSA-N 1 2 279.384 1.417 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccccn1 ZINC000295113005 263172617 /nfs/dbraw/zinc/17/26/17/263172617.db2.gz HTZWVRHDDYXDBK-HNNXBMFYSA-N 1 2 274.368 1.568 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccccn1 ZINC000295113005 263172619 /nfs/dbraw/zinc/17/26/19/263172619.db2.gz HTZWVRHDDYXDBK-HNNXBMFYSA-N 1 2 274.368 1.568 20 30 CDEDLO Cc1nn(C)c2ncc(C[N@@H+](C)C[C@@H](C)C#N)cc12 ZINC000299160325 263232269 /nfs/dbraw/zinc/23/22/69/263232269.db2.gz KYJZROLVGKEAFS-JTQLQIEISA-N 1 2 257.341 1.868 20 30 CDEDLO Cc1nn(C)c2ncc(C[N@H+](C)C[C@@H](C)C#N)cc12 ZINC000299160325 263232270 /nfs/dbraw/zinc/23/22/70/263232270.db2.gz KYJZROLVGKEAFS-JTQLQIEISA-N 1 2 257.341 1.868 20 30 CDEDLO C=C(C)C[N@@H+](CC)[C@H](C)c1nc(N)nc(N(C)C)n1 ZINC000119636896 263276951 /nfs/dbraw/zinc/27/69/51/263276951.db2.gz VXKDCSCFRPCTHT-SNVBAGLBSA-N 1 2 264.377 1.479 20 30 CDEDLO C=C(C)C[N@H+](CC)[C@H](C)c1nc(N)nc(N(C)C)n1 ZINC000119636896 263276953 /nfs/dbraw/zinc/27/69/53/263276953.db2.gz VXKDCSCFRPCTHT-SNVBAGLBSA-N 1 2 264.377 1.479 20 30 CDEDLO C=CCCS(=O)(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000121598172 263295757 /nfs/dbraw/zinc/29/57/57/263295757.db2.gz HSAKMQCVEUGBHQ-OLZOCXBDSA-N 1 2 283.397 1.672 20 30 CDEDLO C=CC[C@H](CC)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000341452134 263336118 /nfs/dbraw/zinc/33/61/18/263336118.db2.gz DQWCBIRLIJPNDQ-ZDUSSCGKSA-N 1 2 269.389 1.315 20 30 CDEDLO C=CCOc1cccnc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000342109075 263389185 /nfs/dbraw/zinc/38/91/85/263389185.db2.gz GMBFGMGUTRGBTA-UHFFFAOYSA-N 1 2 272.308 1.342 20 30 CDEDLO Cn1cc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)nn1 ZINC000328889257 263888832 /nfs/dbraw/zinc/88/88/32/263888832.db2.gz QQRATEFULNFZPG-UHFFFAOYSA-N 1 2 299.378 1.784 20 30 CDEDLO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC(C)C)n1 ZINC000330983625 264103014 /nfs/dbraw/zinc/10/30/14/264103014.db2.gz OYTBIOAPMMLSKV-LBPRGKRZSA-N 1 2 292.383 1.649 20 30 CDEDLO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)NC(=O)NC(C)C)n1 ZINC000330983625 264103017 /nfs/dbraw/zinc/10/30/17/264103017.db2.gz OYTBIOAPMMLSKV-LBPRGKRZSA-N 1 2 292.383 1.649 20 30 CDEDLO C=CCCC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000331202488 264160820 /nfs/dbraw/zinc/16/08/20/264160820.db2.gz QUQHWOGOIYAAPX-WCQYABFASA-N 1 2 263.341 1.723 20 30 CDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccccn1 ZINC000331333708 264192629 /nfs/dbraw/zinc/19/26/29/264192629.db2.gz IHVKYZGGUHCCJU-UHFFFAOYSA-N 1 2 263.341 1.497 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@H](CC)C1 ZINC000045753428 423844138 /nfs/dbraw/zinc/84/41/38/423844138.db2.gz ZVYUQENJFKUJNS-UONOGXRCSA-N 1 2 268.401 1.910 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@H](CC)C1 ZINC000045753428 423844147 /nfs/dbraw/zinc/84/41/47/423844147.db2.gz ZVYUQENJFKUJNS-UONOGXRCSA-N 1 2 268.401 1.910 20 30 CDEDLO C=C(CC)C[N@@H+]1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000356445645 266115629 /nfs/dbraw/zinc/11/56/29/266115629.db2.gz JLQIFVMEFGOFIS-RYUDHWBXSA-N 1 2 269.341 1.379 20 30 CDEDLO C=C(CC)C[N@H+]1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000356445645 266115633 /nfs/dbraw/zinc/11/56/33/266115633.db2.gz JLQIFVMEFGOFIS-RYUDHWBXSA-N 1 2 269.341 1.379 20 30 CDEDLO C=C[C@@H](CO)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000356856152 266192217 /nfs/dbraw/zinc/19/22/17/266192217.db2.gz OYKVHOZGADCPCQ-AWEZNQCLSA-N 1 2 271.320 1.208 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368975243 267215546 /nfs/dbraw/zinc/21/55/46/267215546.db2.gz QDXCJHGAXMKIPI-VOAKCMCISA-N 1 2 260.341 1.016 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368975243 267215550 /nfs/dbraw/zinc/21/55/50/267215550.db2.gz QDXCJHGAXMKIPI-VOAKCMCISA-N 1 2 260.341 1.016 20 30 CDEDLO Cc1cc(N2CCC(OCCO)CC2)c(C#N)c[nH+]1 ZINC000399257788 267335522 /nfs/dbraw/zinc/33/55/22/267335522.db2.gz NZOKTKGRRJWIAC-UHFFFAOYSA-N 1 2 261.325 1.239 20 30 CDEDLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(C#N)cn3)sc2C1 ZINC000107564721 270237281 /nfs/dbraw/zinc/23/72/81/270237281.db2.gz BQMYTZLTCMBGCS-UHFFFAOYSA-N 1 2 299.359 1.650 20 30 CDEDLO C[N@H+]1CCc2nc(NC(=O)c3ccc(C#N)cn3)sc2C1 ZINC000107564721 270237283 /nfs/dbraw/zinc/23/72/83/270237283.db2.gz BQMYTZLTCMBGCS-UHFFFAOYSA-N 1 2 299.359 1.650 20 30 CDEDLO N#Cc1ccc(SCC(=O)NCCn2cc[nH+]c2)cc1 ZINC000075474730 279222939 /nfs/dbraw/zinc/22/29/39/279222939.db2.gz ZJTCGHOXRBABSK-UHFFFAOYSA-N 1 2 286.360 1.663 20 30 CDEDLO Cc1onc(CC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1C#N ZINC000541856514 289517258 /nfs/dbraw/zinc/51/72/58/289517258.db2.gz OVRZCZTUZVIAQV-LLVKDONJSA-N 1 2 299.334 1.147 20 30 CDEDLO COC(=O)c1ccc(N[C@@H](C)Cn2cc[nH+]c2)c(C#N)n1 ZINC000573020594 294739206 /nfs/dbraw/zinc/73/92/06/294739206.db2.gz PQMCTRIYPJLQQL-JTQLQIEISA-N 1 2 285.307 1.437 20 30 CDEDLO CO[C@H](C)CO[NH+]=C(N)COc1ccccc1F ZINC000186871744 327855045 /nfs/dbraw/zinc/85/50/45/327855045.db2.gz HPSGTUMYWYJZKI-SECBINFHSA-N 1 2 256.277 1.528 20 30 CDEDLO C=C(C)COCCNC(=O)/C=C\c1[nH+]ccn1CC ZINC000492407513 327878557 /nfs/dbraw/zinc/87/85/57/327878557.db2.gz KLJULBZVVMEUKA-WAYWQWQTSA-N 1 2 263.341 1.625 20 30 CDEDLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1ccc(C#N)cn1 ZINC000563355894 316266000 /nfs/dbraw/zinc/26/60/00/316266000.db2.gz UFGYTLPBPPGYOL-NSHDSACASA-N 1 2 261.325 1.727 20 30 CDEDLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1ccc(C#N)cn1 ZINC000563355894 316266003 /nfs/dbraw/zinc/26/60/03/316266003.db2.gz UFGYTLPBPPGYOL-NSHDSACASA-N 1 2 261.325 1.727 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000339660862 328012549 /nfs/dbraw/zinc/01/25/49/328012549.db2.gz PBUZYXWRDRCXLV-UHFFFAOYSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000339660862 328012550 /nfs/dbraw/zinc/01/25/50/328012550.db2.gz PBUZYXWRDRCXLV-UHFFFAOYSA-N 1 2 268.401 1.816 20 30 CDEDLO COC(=O)c1ccc(Nc2ccc(N(C)C)[nH+]c2)c(C#N)n1 ZINC000576317431 317115507 /nfs/dbraw/zinc/11/55/07/317115507.db2.gz CWSOAIBJUVNTFT-UHFFFAOYSA-N 1 2 297.318 1.944 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)C[C@@]2(CCCOC2)O1 ZINC000577526632 317349678 /nfs/dbraw/zinc/34/96/78/317349678.db2.gz GNIBKQSHLPZPII-CZUORRHYSA-N 1 2 287.363 1.723 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)C[C@@]2(CCCOC2)O1 ZINC000577526632 317349682 /nfs/dbraw/zinc/34/96/82/317349682.db2.gz GNIBKQSHLPZPII-CZUORRHYSA-N 1 2 287.363 1.723 20 30 CDEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccno2)CC1 ZINC000577688989 317380747 /nfs/dbraw/zinc/38/07/47/317380747.db2.gz BVQNOZGEZFOUJG-UHFFFAOYSA-N 1 2 269.308 1.263 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)c1ccc2[nH+]ccn2c1 ZINC000171675750 329075390 /nfs/dbraw/zinc/07/53/90/329075390.db2.gz PSWZEUABEIJUHN-NSHDSACASA-N 1 2 256.309 1.956 20 30 CDEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CCCC#N ZINC000291942943 328267712 /nfs/dbraw/zinc/26/77/12/328267712.db2.gz PNZXGSXVLJHTHB-UHFFFAOYSA-N 1 2 288.351 1.859 20 30 CDEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NCC#N)cc1 ZINC000341006998 328403207 /nfs/dbraw/zinc/40/32/07/328403207.db2.gz BURPXRGPAUZQKL-HNNXBMFYSA-N 1 2 259.353 1.482 20 30 CDEDLO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1c(F)cncc1F ZINC000574710500 327368416 /nfs/dbraw/zinc/36/84/16/327368416.db2.gz YSJLLMJKKMDDRW-SECBINFHSA-N 1 2 294.305 1.573 20 30 CDEDLO CO[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccccc1 ZINC000564535343 327521484 /nfs/dbraw/zinc/52/14/84/327521484.db2.gz KLXIFTBISDTNNA-DZGCQCFKSA-N 1 2 275.352 1.334 20 30 CDEDLO C#C[C@@H](NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C(C)C ZINC000378075891 329038945 /nfs/dbraw/zinc/03/89/45/329038945.db2.gz RECSTVTVUXVSSU-GHMZBOCLSA-N 1 2 260.341 1.224 20 30 CDEDLO C#C[C@@H](NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C(C)C ZINC000378075891 329038946 /nfs/dbraw/zinc/03/89/46/329038946.db2.gz RECSTVTVUXVSSU-GHMZBOCLSA-N 1 2 260.341 1.224 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c1 ZINC000378346689 329046954 /nfs/dbraw/zinc/04/69/54/329046954.db2.gz SFUXOEUHFOVNME-CQSZACIVSA-N 1 2 288.347 1.888 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)c1 ZINC000378346689 329046955 /nfs/dbraw/zinc/04/69/55/329046955.db2.gz SFUXOEUHFOVNME-CQSZACIVSA-N 1 2 288.347 1.888 20 30 CDEDLO C=CC[C@@H](C)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000172133482 329081435 /nfs/dbraw/zinc/08/14/35/329081435.db2.gz KYBODJGFIXUXTC-GFCCVEGCSA-N 1 2 269.389 1.361 20 30 CDEDLO C=CC[C@@H](C)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000172133482 329081436 /nfs/dbraw/zinc/08/14/36/329081436.db2.gz KYBODJGFIXUXTC-GFCCVEGCSA-N 1 2 269.389 1.361 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc2cccnc21 ZINC000572367840 330011487 /nfs/dbraw/zinc/01/14/87/330011487.db2.gz KWUNXKJPFNQWAH-MRXNPFEDSA-N 1 2 282.347 1.808 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)[C@H]([NH3+])c2c(F)cccc2F)C1 ZINC000424216114 330328968 /nfs/dbraw/zinc/32/89/68/330328968.db2.gz HUISBWNXLSMBNA-IGJMFERPSA-N 1 2 279.290 1.773 20 30 CDEDLO C#CC[NH+]1CCN(Cn2cnc(-c3ccccc3)n2)CC1 ZINC000117861985 330366154 /nfs/dbraw/zinc/36/61/54/330366154.db2.gz WPQOWQDDPGYEFJ-UHFFFAOYSA-N 1 2 281.363 1.153 20 30 CDEDLO C=CCN(CC1CCCCC1)C(=O)CN1CC[NH2+]CC1=O ZINC000158109445 330817120 /nfs/dbraw/zinc/81/71/20/330817120.db2.gz NMLUFVXHBDBQFK-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO COc1cc(F)cc(C[NH+]2CCN(CC#N)CC2)c1 ZINC000449021552 330892636 /nfs/dbraw/zinc/89/26/36/330892636.db2.gz ZWEUNHZEWVJUIE-UHFFFAOYSA-N 1 2 263.316 1.475 20 30 CDEDLO CCN1CCN(CC2(C#N)CCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000450892241 331005267 /nfs/dbraw/zinc/00/52/67/331005267.db2.gz NJIAKQFXQVMLNW-CYBMUJFWSA-N 1 2 273.384 1.782 20 30 CDEDLO C=C(C)COCCNC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000454689596 331151413 /nfs/dbraw/zinc/15/14/13/331151413.db2.gz MODUVDYLARNMDS-LBPRGKRZSA-N 1 2 280.372 1.856 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000456758345 331200600 /nfs/dbraw/zinc/20/06/00/331200600.db2.gz PQBQFJIIBWIUSC-CQSZACIVSA-N 1 2 285.347 1.929 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000456767850 331201923 /nfs/dbraw/zinc/20/19/23/331201923.db2.gz NGENDCKGMIHZDZ-QLFBSQMISA-N 1 2 298.427 1.319 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000456767850 331201924 /nfs/dbraw/zinc/20/19/24/331201924.db2.gz NGENDCKGMIHZDZ-QLFBSQMISA-N 1 2 298.427 1.319 20 30 CDEDLO C=CC(C)(C)CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000458990604 331264513 /nfs/dbraw/zinc/26/45/13/331264513.db2.gz RPOPDCAXTUFFKO-CQSZACIVSA-N 1 2 295.427 1.705 20 30 CDEDLO C#CC[N@@H+](CC)Cc1nnc(-c2ccccc2)n1C ZINC000490871732 332122761 /nfs/dbraw/zinc/12/27/61/332122761.db2.gz CJKJUZLDNBBMEI-UHFFFAOYSA-N 1 2 254.337 1.937 20 30 CDEDLO C#CC[N@H+](CC)Cc1nnc(-c2ccccc2)n1C ZINC000490871732 332122763 /nfs/dbraw/zinc/12/27/63/332122763.db2.gz CJKJUZLDNBBMEI-UHFFFAOYSA-N 1 2 254.337 1.937 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000490900608 332127721 /nfs/dbraw/zinc/12/77/21/332127721.db2.gz WWQYRSLCWMWNTN-UHFFFAOYSA-N 1 2 274.280 1.223 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000490900608 332127722 /nfs/dbraw/zinc/12/77/22/332127722.db2.gz WWQYRSLCWMWNTN-UHFFFAOYSA-N 1 2 274.280 1.223 20 30 CDEDLO C#CC[N@@H+](CCCc1ccncc1)[C@H]1CCS(=O)(=O)C1 ZINC000490985988 332136203 /nfs/dbraw/zinc/13/62/03/332136203.db2.gz PDRASFYOIMKTEY-HNNXBMFYSA-N 1 2 292.404 1.137 20 30 CDEDLO C#CC[N@H+](CCCc1ccncc1)[C@H]1CCS(=O)(=O)C1 ZINC000490985988 332136205 /nfs/dbraw/zinc/13/62/05/332136205.db2.gz PDRASFYOIMKTEY-HNNXBMFYSA-N 1 2 292.404 1.137 20 30 CDEDLO C#C[C@@H](NC(=O)NCc1[nH+]ccn1CC(C)C)C(C)C ZINC000490998654 332138079 /nfs/dbraw/zinc/13/80/79/332138079.db2.gz ZDZKZTNBPJXQDW-CYBMUJFWSA-N 1 2 276.384 1.996 20 30 CDEDLO C#C[C@H](CCC)NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000491267925 332177796 /nfs/dbraw/zinc/17/77/96/332177796.db2.gz WNIIUXLKWOQXOG-LLVKDONJSA-N 1 2 284.319 1.191 20 30 CDEDLO C#C[C@@H]1COCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000491295983 332184034 /nfs/dbraw/zinc/18/40/34/332184034.db2.gz KHQYHUKNYWERFH-MRXNPFEDSA-N 1 2 295.342 1.406 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C[C@](C)(CC(C)C)C1=O ZINC000491363023 332197646 /nfs/dbraw/zinc/19/76/46/332197646.db2.gz WWYSKZWTUPIBAZ-WFASDCNBSA-N 1 2 264.369 1.709 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C[C@](C)(CC(C)C)C1=O ZINC000491363023 332197647 /nfs/dbraw/zinc/19/76/47/332197647.db2.gz WWYSKZWTUPIBAZ-WFASDCNBSA-N 1 2 264.369 1.709 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CC[C@@H](C(=O)OC)c1ccccc1 ZINC000491385452 332202009 /nfs/dbraw/zinc/20/20/09/332202009.db2.gz RONTWIVKEKEJQM-JKSUJKDBSA-N 1 2 287.359 1.667 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CC[C@@H](C(=O)OC)c1ccccc1 ZINC000491385452 332202010 /nfs/dbraw/zinc/20/20/10/332202010.db2.gz RONTWIVKEKEJQM-JKSUJKDBSA-N 1 2 287.359 1.667 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(NC(C)=O)cc1 ZINC000491438715 332211483 /nfs/dbraw/zinc/21/14/83/332211483.db2.gz FWIDYONSMPOBLR-OAHLLOKOSA-N 1 2 258.321 1.479 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(NC(C)=O)cc1 ZINC000491438715 332211484 /nfs/dbraw/zinc/21/14/84/332211484.db2.gz FWIDYONSMPOBLR-OAHLLOKOSA-N 1 2 258.321 1.479 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000491702028 332296120 /nfs/dbraw/zinc/29/61/20/332296120.db2.gz IJRZKYRBZJHBSL-JTQLQIEISA-N 1 2 291.307 1.495 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000491702028 332296121 /nfs/dbraw/zinc/29/61/21/332296121.db2.gz IJRZKYRBZJHBSL-JTQLQIEISA-N 1 2 291.307 1.495 20 30 CDEDLO C#C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC000491709680 332301734 /nfs/dbraw/zinc/30/17/34/332301734.db2.gz RBSRFBXFLKBZPL-DGCLKSJQSA-N 1 2 259.353 1.610 20 30 CDEDLO C#C[C@@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)C(C)(C)C ZINC000491717254 332306969 /nfs/dbraw/zinc/30/69/69/332306969.db2.gz PUHMUGNMAKAHGK-CMPLNLGQSA-N 1 2 259.353 1.994 20 30 CDEDLO C#C[C@@H](NC(=O)[C@H]1CCCc2[nH]c[nH+]c21)C(C)(C)C ZINC000491717254 332306970 /nfs/dbraw/zinc/30/69/70/332306970.db2.gz PUHMUGNMAKAHGK-CMPLNLGQSA-N 1 2 259.353 1.994 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccnc(OC)c2)n1 ZINC000491737824 332317792 /nfs/dbraw/zinc/31/77/92/332317792.db2.gz QXOHLNTYOFIYEB-UHFFFAOYSA-N 1 2 284.363 1.942 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccnc(OC)c2)n1 ZINC000491737824 332317793 /nfs/dbraw/zinc/31/77/93/332317793.db2.gz QXOHLNTYOFIYEB-UHFFFAOYSA-N 1 2 284.363 1.942 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000491765757 332334118 /nfs/dbraw/zinc/33/41/18/332334118.db2.gz CQEJVRXCBRCPKL-GFCCVEGCSA-N 1 2 296.330 1.291 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000491781128 332345274 /nfs/dbraw/zinc/34/52/74/332345274.db2.gz MWUDZWYVNASAHM-TZMCWYRMSA-N 1 2 272.348 1.945 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000491781128 332345275 /nfs/dbraw/zinc/34/52/75/332345275.db2.gz MWUDZWYVNASAHM-TZMCWYRMSA-N 1 2 272.348 1.945 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1OC ZINC000491792860 332353367 /nfs/dbraw/zinc/35/33/67/332353367.db2.gz HTINTMFLSPZPIJ-ZDUSSCGKSA-N 1 2 274.364 1.780 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1OC ZINC000491792860 332353368 /nfs/dbraw/zinc/35/33/68/332353368.db2.gz HTINTMFLSPZPIJ-ZDUSSCGKSA-N 1 2 274.364 1.780 20 30 CDEDLO CCn1cc[nH+]c1/C=C\C(=O)N=c1cc(C)n(CCC#N)[nH]1 ZINC000492283264 332390728 /nfs/dbraw/zinc/39/07/28/332390728.db2.gz KOMGGGLRJXCZSG-WAYWQWQTSA-N 1 2 298.350 1.395 20 30 CDEDLO N#CCCN(CC[C@@H]1CCCO1)CC[NH+]1CCOCC1 ZINC000189498879 333193720 /nfs/dbraw/zinc/19/37/20/333193720.db2.gz MVVNADJVUOETAC-HNNXBMFYSA-N 1 2 281.400 1.103 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CC[C@H]1CCCCO1 ZINC000521882254 333195639 /nfs/dbraw/zinc/19/56/39/333195639.db2.gz BSLDCDFQECGNEC-TZMCWYRMSA-N 1 2 267.373 1.296 20 30 CDEDLO C#CC[N@@H+](C)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000192225610 333232857 /nfs/dbraw/zinc/23/28/57/333232857.db2.gz CADRVMLHDSFBPL-UHFFFAOYSA-N 1 2 273.304 1.748 20 30 CDEDLO C#CC[N@H+](C)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000192225610 333232858 /nfs/dbraw/zinc/23/28/58/333232858.db2.gz CADRVMLHDSFBPL-UHFFFAOYSA-N 1 2 273.304 1.748 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000192222638 333232860 /nfs/dbraw/zinc/23/28/60/333232860.db2.gz HACCWINANCCJKK-CYBMUJFWSA-N 1 2 258.321 1.191 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000192222638 333232861 /nfs/dbraw/zinc/23/28/61/333232861.db2.gz HACCWINANCCJKK-CYBMUJFWSA-N 1 2 258.321 1.191 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000192236432 333233509 /nfs/dbraw/zinc/23/35/09/333233509.db2.gz XQHYUAOEPAIVRI-UHFFFAOYSA-N 1 2 285.347 1.082 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000192236432 333233510 /nfs/dbraw/zinc/23/35/10/333233510.db2.gz XQHYUAOEPAIVRI-UHFFFAOYSA-N 1 2 285.347 1.082 20 30 CDEDLO C=C(C)CNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000547976131 334132942 /nfs/dbraw/zinc/13/29/42/334132942.db2.gz ZDWMBUIAXYNNRV-UHFFFAOYSA-N 1 2 286.335 1.513 20 30 CDEDLO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H](C)C#N ZINC000090523008 334362601 /nfs/dbraw/zinc/36/26/01/334362601.db2.gz OTUILEGFBLDUJD-NSHDSACASA-N 1 2 278.312 1.238 20 30 CDEDLO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H](C)C#N ZINC000090523008 334362602 /nfs/dbraw/zinc/36/26/02/334362602.db2.gz OTUILEGFBLDUJD-NSHDSACASA-N 1 2 278.312 1.238 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCCc1ccccc1OC ZINC000567176439 334687594 /nfs/dbraw/zinc/68/75/94/334687594.db2.gz FHZMUHMYYLXARH-AWEZNQCLSA-N 1 2 289.379 1.636 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH2+][C@H](CO)c1cccc(F)c1 ZINC000580647837 335311056 /nfs/dbraw/zinc/31/10/56/335311056.db2.gz XURVQINJPNNTMM-SMDDNHRTSA-N 1 2 261.300 1.892 20 30 CDEDLO C[C@@H](CC(=O)NCC1CCN(CC#N)CC1)n1cc[nH+]c1 ZINC000577519864 335364206 /nfs/dbraw/zinc/36/42/06/335364206.db2.gz PRTFUJYYNSUCRQ-ZDUSSCGKSA-N 1 2 289.383 1.186 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCCN(C)C1=O ZINC001754490457 1159241990 /nfs/dbraw/zinc/24/19/90/1159241990.db2.gz QBBMUXPTBWILTO-CHWSQXEVSA-N 1 2 293.411 1.010 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCCN(C)C1=O ZINC001754490457 1159241993 /nfs/dbraw/zinc/24/19/93/1159241993.db2.gz QBBMUXPTBWILTO-CHWSQXEVSA-N 1 2 293.411 1.010 20 30 CDEDLO Cn1cnc2cccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c21 ZINC000579717879 335872775 /nfs/dbraw/zinc/87/27/75/335872775.db2.gz AUWISYOYHYVUAN-HNNXBMFYSA-N 1 2 285.351 1.147 20 30 CDEDLO C#CCCCC(=O)N(C)CCCN(C)c1cc[nH+]c(C)n1 ZINC001112070157 1159601815 /nfs/dbraw/zinc/60/18/15/1159601815.db2.gz CRSMKOOPPQHDLX-UHFFFAOYSA-N 1 2 288.395 1.873 20 30 CDEDLO CNC(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000335679178 482455765 /nfs/dbraw/zinc/45/57/65/482455765.db2.gz LZWZOEBBNGNNNF-LBPRGKRZSA-N 1 2 276.315 1.201 20 30 CDEDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000335679178 482455767 /nfs/dbraw/zinc/45/57/67/482455767.db2.gz LZWZOEBBNGNNNF-LBPRGKRZSA-N 1 2 276.315 1.201 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN(CC)[C@@H](C)C1 ZINC000677194293 482579450 /nfs/dbraw/zinc/57/94/50/482579450.db2.gz GUOFNARCCHQZPD-GJZGRUSLSA-N 1 2 279.428 1.602 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN(CC)[C@@H](C)C1 ZINC000677194293 482579455 /nfs/dbraw/zinc/57/94/55/482579455.db2.gz GUOFNARCCHQZPD-GJZGRUSLSA-N 1 2 279.428 1.602 20 30 CDEDLO C=CCCS(=O)(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000675756185 483362436 /nfs/dbraw/zinc/36/24/36/483362436.db2.gz HMLMVRLZRXLTPS-UHFFFAOYSA-N 1 2 293.392 1.681 20 30 CDEDLO CC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000676722236 483576071 /nfs/dbraw/zinc/57/60/71/483576071.db2.gz GFZWHXKJZYVFSH-UHFFFAOYSA-N 1 2 257.337 1.265 20 30 CDEDLO CC(=O)c1ccc(C#N)c(N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000680374599 483601136 /nfs/dbraw/zinc/60/11/36/483601136.db2.gz ILNWTPUATMTNAL-MRXNPFEDSA-N 1 2 299.374 1.672 20 30 CDEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000683793304 483639477 /nfs/dbraw/zinc/63/94/77/483639477.db2.gz ZFDJGBWKECNTSA-JTQLQIEISA-N 1 2 273.340 1.609 20 30 CDEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000683793304 483639484 /nfs/dbraw/zinc/63/94/84/483639484.db2.gz ZFDJGBWKECNTSA-JTQLQIEISA-N 1 2 273.340 1.609 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@H](C)OC)C2)cc1 ZINC001030776773 1161067080 /nfs/dbraw/zinc/06/70/80/1161067080.db2.gz YKUDHTXQWAQHPJ-LBPRGKRZSA-N 1 2 272.348 1.117 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CC)CC2)C1 ZINC001065691977 1161935417 /nfs/dbraw/zinc/93/54/17/1161935417.db2.gz NQBHBNLVKAWETM-CQSZACIVSA-N 1 2 293.411 1.108 20 30 CDEDLO COc1ccccc1C[NH+]1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000347119299 534080798 /nfs/dbraw/zinc/08/07/98/534080798.db2.gz WPYIZELNOURAGM-ZDUSSCGKSA-N 1 2 287.363 1.499 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)CC1 ZINC001113139277 1162111893 /nfs/dbraw/zinc/11/18/93/1162111893.db2.gz JRYZLZADCSLPGN-SCAQPMJSSA-N 1 2 292.423 1.769 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCCC(=O)NC(C)C)CC1 ZINC001113557812 1162220860 /nfs/dbraw/zinc/22/08/60/1162220860.db2.gz QOEUGMMMJLLMJH-UHFFFAOYSA-N 1 2 281.400 1.012 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCCOc2cccnc2)CC1 ZINC001113657999 1162248728 /nfs/dbraw/zinc/24/87/28/1162248728.db2.gz CBJQMQFRRXOCPK-UHFFFAOYSA-N 1 2 289.379 1.571 20 30 CDEDLO COC(=O)C[N@H+](CCOc1ccc(C#N)cc1)C(C)C ZINC000049573174 523162863 /nfs/dbraw/zinc/16/28/63/523162863.db2.gz YEHYGUIUTZXOLN-UHFFFAOYSA-N 1 2 276.336 1.820 20 30 CDEDLO COC(=O)C[N@@H+](CCOc1ccc(C#N)cc1)C(C)C ZINC000049573174 523162878 /nfs/dbraw/zinc/16/28/78/523162878.db2.gz YEHYGUIUTZXOLN-UHFFFAOYSA-N 1 2 276.336 1.820 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000247417424 523436742 /nfs/dbraw/zinc/43/67/42/523436742.db2.gz DEIWILLXALMAED-IUODEOHRSA-N 1 2 287.363 1.996 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000247417424 523436750 /nfs/dbraw/zinc/43/67/50/523436750.db2.gz DEIWILLXALMAED-IUODEOHRSA-N 1 2 287.363 1.996 20 30 CDEDLO N#Cc1ccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)[nH]1 ZINC000156166318 526596555 /nfs/dbraw/zinc/59/65/55/526596555.db2.gz ILSBFZKAWHDHHF-UHFFFAOYSA-N 1 2 283.335 1.392 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000354474114 526634178 /nfs/dbraw/zinc/63/41/78/526634178.db2.gz HPCFXCQPWQBCMO-ZDUSSCGKSA-N 1 2 289.379 1.205 20 30 CDEDLO N#Cc1ccc(F)c(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000364966888 526638543 /nfs/dbraw/zinc/63/85/43/526638543.db2.gz BHVUCXFDACMSNZ-GFCCVEGCSA-N 1 2 298.321 1.773 20 30 CDEDLO N#Cc1ccc(F)c(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000364966890 526639175 /nfs/dbraw/zinc/63/91/75/526639175.db2.gz BHVUCXFDACMSNZ-LBPRGKRZSA-N 1 2 298.321 1.773 20 30 CDEDLO C=CCOCC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000354616157 526710856 /nfs/dbraw/zinc/71/08/56/526710856.db2.gz HNGPTOGMKUJFNT-UHFFFAOYSA-N 1 2 289.379 1.891 20 30 CDEDLO CC1CCC(NC(=O)C[N@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC000329085538 528165506 /nfs/dbraw/zinc/16/55/06/528165506.db2.gz UKJPTGWRKGOQFP-WXRRBKDZSA-N 1 2 281.400 1.684 20 30 CDEDLO CC1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC000329085538 528165511 /nfs/dbraw/zinc/16/55/11/528165511.db2.gz UKJPTGWRKGOQFP-WXRRBKDZSA-N 1 2 281.400 1.684 20 30 CDEDLO CC1(C)C[N@H+](CC(=O)NCC#N)[C@H]1c1cccs1 ZINC000347610790 529112345 /nfs/dbraw/zinc/11/23/45/529112345.db2.gz ZNJVRIYDTDMLFM-LBPRGKRZSA-N 1 2 263.366 1.771 20 30 CDEDLO CC1(C)C[N@@H+](CC(=O)NCC#N)[C@H]1c1cccs1 ZINC000347610790 529112349 /nfs/dbraw/zinc/11/23/49/529112349.db2.gz ZNJVRIYDTDMLFM-LBPRGKRZSA-N 1 2 263.366 1.771 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCC(=O)NC1(C)C ZINC000328761695 538394583 /nfs/dbraw/zinc/39/45/83/538394583.db2.gz YNFHVSGGBNSCSE-GHMZBOCLSA-N 1 2 293.371 1.673 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC([O-])=[NH+][C@@H]1CCC(=O)NC1(C)C ZINC000328761695 538394590 /nfs/dbraw/zinc/39/45/90/538394590.db2.gz YNFHVSGGBNSCSE-GHMZBOCLSA-N 1 2 293.371 1.673 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N[C@@H]1CCC(=O)NC1(C)C ZINC000328761695 538394594 /nfs/dbraw/zinc/39/45/94/538394594.db2.gz YNFHVSGGBNSCSE-GHMZBOCLSA-N 1 2 293.371 1.673 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)[C@@H]1CCCCO1 ZINC000329473088 538573208 /nfs/dbraw/zinc/57/32/08/538573208.db2.gz NIVMEOJVLKKBHS-MCIONIFRSA-N 1 2 299.415 1.168 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000730274731 574907552 /nfs/dbraw/zinc/90/75/52/574907552.db2.gz LWEPMMUMAQUYGJ-HNNXBMFYSA-N 1 2 294.358 1.908 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000730274731 574907553 /nfs/dbraw/zinc/90/75/53/574907553.db2.gz LWEPMMUMAQUYGJ-HNNXBMFYSA-N 1 2 294.358 1.908 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000732072121 575078488 /nfs/dbraw/zinc/07/84/88/575078488.db2.gz UYBOSKWEMBBFOZ-AWEZNQCLSA-N 1 2 271.295 1.733 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000732072121 575078490 /nfs/dbraw/zinc/07/84/90/575078490.db2.gz UYBOSKWEMBBFOZ-AWEZNQCLSA-N 1 2 271.295 1.733 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000732208627 575083471 /nfs/dbraw/zinc/08/34/71/575083471.db2.gz BAKAGELTEPMFOY-KEYYUXOJSA-N 1 2 286.375 1.586 20 30 CDEDLO C#CCNC(=O)C[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000732208627 575083472 /nfs/dbraw/zinc/08/34/72/575083472.db2.gz BAKAGELTEPMFOY-KEYYUXOJSA-N 1 2 286.375 1.586 20 30 CDEDLO C=CCN1CC(=O)N(Cc2[nH+]cc(C)c(OC)c2C)C1=O ZINC000761181241 576557714 /nfs/dbraw/zinc/55/77/14/576557714.db2.gz SPKGJENOPNJRGC-UHFFFAOYSA-N 1 2 289.335 1.657 20 30 CDEDLO Nc1[nH+]cccc1C=NN1CCc2ccccc2C1=O ZINC000769594807 575363004 /nfs/dbraw/zinc/36/30/04/575363004.db2.gz YOOJPMSPSVHCIH-UHFFFAOYSA-N 1 2 266.304 1.696 20 30 CDEDLO CC(C)c1[nH+]c(C=NOCC(N)=O)c2ccccn21 ZINC000771570879 575591069 /nfs/dbraw/zinc/59/10/69/575591069.db2.gz IOGYXPFDGVJJDT-UHFFFAOYSA-N 1 2 260.297 1.294 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)N[C@@](C)(C2CC2)C1=O)C1CC1 ZINC000771639321 575599734 /nfs/dbraw/zinc/59/97/34/575599734.db2.gz HHYAOCNWHYLNEH-AWEZNQCLSA-N 1 2 263.341 1.315 20 30 CDEDLO C=CC[N@H+](CN1C(=O)N[C@@](C)(C2CC2)C1=O)C1CC1 ZINC000771639321 575599735 /nfs/dbraw/zinc/59/97/35/575599735.db2.gz HHYAOCNWHYLNEH-AWEZNQCLSA-N 1 2 263.341 1.315 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000766940518 576147869 /nfs/dbraw/zinc/14/78/69/576147869.db2.gz LYYXOZWDSSALON-NSHDSACASA-N 1 2 282.347 1.100 20 30 CDEDLO C[S@@](=O)CC[NH+]1CCN(CC(C)(C)CCC#N)CC1 ZINC000769481196 576358137 /nfs/dbraw/zinc/35/81/37/576358137.db2.gz SEEAZHJXMKKOHI-LJQANCHMSA-N 1 2 285.457 1.312 20 30 CDEDLO N#CCn1cc(Nc2cc(-n3cc[nH+]c3)ncn2)cn1 ZINC000740867798 576520136 /nfs/dbraw/zinc/52/01/36/576520136.db2.gz AKEKQKSQHHDCEB-UHFFFAOYSA-N 1 2 266.268 1.126 20 30 CDEDLO N#CCCCOC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000741335389 576553482 /nfs/dbraw/zinc/55/34/82/576553482.db2.gz GFCAIFRXTRSVAC-UHFFFAOYSA-N 1 2 288.347 1.979 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nc(C(C)C)cs1 ZINC000763894438 576764032 /nfs/dbraw/zinc/76/40/32/576764032.db2.gz FGZWUSSZHPGWPG-ZDUSSCGKSA-N 1 2 291.420 1.980 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nc(C(C)C)cs1 ZINC000763894438 576764034 /nfs/dbraw/zinc/76/40/34/576764034.db2.gz FGZWUSSZHPGWPG-ZDUSSCGKSA-N 1 2 291.420 1.980 20 30 CDEDLO COC[C@]1(C)CC(=O)N(C[NH+]2CCC(C#N)CC2)C1 ZINC000747454851 576870746 /nfs/dbraw/zinc/87/07/46/576870746.db2.gz UUTXFUQNJXLSIH-CQSZACIVSA-N 1 2 265.357 1.064 20 30 CDEDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2ccc(C#N)cc2)C1 ZINC000748455916 576913229 /nfs/dbraw/zinc/91/32/29/576913229.db2.gz HXIKFEYSLXVSAL-AWEZNQCLSA-N 1 2 274.320 1.322 20 30 CDEDLO CC[N@H+]1CCO[C@H](C(=O)OCc2ccc(C#N)cc2)C1 ZINC000748455916 576913231 /nfs/dbraw/zinc/91/32/31/576913231.db2.gz HXIKFEYSLXVSAL-AWEZNQCLSA-N 1 2 274.320 1.322 20 30 CDEDLO Cc1[nH]c[nH+]c1C=NNS(=O)(=O)c1ccccc1 ZINC000755472605 576946255 /nfs/dbraw/zinc/94/62/55/576946255.db2.gz XSUBTHGFDYJGPF-UHFFFAOYSA-N 1 2 264.310 1.031 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CSCCS1 ZINC000755501680 576947152 /nfs/dbraw/zinc/94/71/52/576947152.db2.gz VABBZQPAEDVYRZ-RYUDHWBXSA-N 1 2 284.450 1.049 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CSCCS1 ZINC000755501680 576947154 /nfs/dbraw/zinc/94/71/54/576947154.db2.gz VABBZQPAEDVYRZ-RYUDHWBXSA-N 1 2 284.450 1.049 20 30 CDEDLO Cn1c[nH+]cc1C=NN1C(=S)N=NC1c1ccccc1 ZINC000755520205 576948242 /nfs/dbraw/zinc/94/82/42/576948242.db2.gz ADWUQKKQYGGZRW-UHFFFAOYSA-N 1 2 284.348 1.850 20 30 CDEDLO CCc1[nH+]c(C=NNc2nnc(C)c(=O)[nH]2)c2ccccn21 ZINC000755524634 576948691 /nfs/dbraw/zinc/94/86/91/576948691.db2.gz NRCQAUILOQISIO-UHFFFAOYSA-N 1 2 297.322 1.542 20 30 CDEDLO N#Cc1cccn(C[NH+]2CCC(C(F)(F)F)CC2)c1=O ZINC000758228504 577086032 /nfs/dbraw/zinc/08/60/32/577086032.db2.gz BEHHUUIXSKYWOA-UHFFFAOYSA-N 1 2 285.269 1.952 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(C)n2C)C1 ZINC000949674548 612991953 /nfs/dbraw/zinc/99/19/53/612991953.db2.gz NMLYKWLOMKDHQK-UHFFFAOYSA-N 1 2 273.380 1.503 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2nc(C(C)C)oc2C)CC1 ZINC000981153349 613160288 /nfs/dbraw/zinc/16/02/88/613160288.db2.gz XIQANUWDTYHLRY-UHFFFAOYSA-N 1 2 289.379 1.888 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2nc(C(C)C)oc2C)CC1 ZINC000981153349 613160289 /nfs/dbraw/zinc/16/02/89/613160289.db2.gz XIQANUWDTYHLRY-UHFFFAOYSA-N 1 2 289.379 1.888 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC34CCC4)C2)C1 ZINC000972577770 613211459 /nfs/dbraw/zinc/21/14/59/613211459.db2.gz NUAKTNMHFDQSAU-YOEHRIQHSA-N 1 2 288.391 1.113 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC34CCC4)C2)C1 ZINC000972577770 613211461 /nfs/dbraw/zinc/21/14/61/613211461.db2.gz NUAKTNMHFDQSAU-YOEHRIQHSA-N 1 2 288.391 1.113 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2nccs2)C1 ZINC000968467657 613222399 /nfs/dbraw/zinc/22/23/99/613222399.db2.gz GJJRGRZKFFCEAW-GHMZBOCLSA-N 1 2 263.366 1.217 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2nccs2)C1 ZINC000968467657 613222401 /nfs/dbraw/zinc/22/24/01/613222401.db2.gz GJJRGRZKFFCEAW-GHMZBOCLSA-N 1 2 263.366 1.217 20 30 CDEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cocn1 ZINC000948898267 613280145 /nfs/dbraw/zinc/28/01/45/613280145.db2.gz GPGDWRVIAJEBPI-MRXNPFEDSA-N 1 2 295.342 1.637 20 30 CDEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cocn1 ZINC000948898267 613280147 /nfs/dbraw/zinc/28/01/47/613280147.db2.gz GPGDWRVIAJEBPI-MRXNPFEDSA-N 1 2 295.342 1.637 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@H]2OC)C1 ZINC000950666527 613295526 /nfs/dbraw/zinc/29/55/26/613295526.db2.gz HQWNSIZFNUBLGV-LSDHHAIUSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(C)n(C)n2)C1 ZINC000949744345 613295855 /nfs/dbraw/zinc/29/58/55/613295855.db2.gz JHKKCKYXTAOGKZ-UHFFFAOYSA-N 1 2 276.384 1.451 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(CC)n(C)n2)C1 ZINC000957463978 613296005 /nfs/dbraw/zinc/29/60/05/613296005.db2.gz GBDBURYMKBGXEL-UHFFFAOYSA-N 1 2 290.411 1.705 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2nocc2C)C1 ZINC000957104181 613298238 /nfs/dbraw/zinc/29/82/38/613298238.db2.gz OFPKMJKTYLTQRB-UHFFFAOYSA-N 1 2 263.341 1.705 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccnc(OC)c2)CC1 ZINC000949043401 613321398 /nfs/dbraw/zinc/32/13/98/613321398.db2.gz SLPINBXNTQQJIU-UHFFFAOYSA-N 1 2 275.352 1.424 20 30 CDEDLO C=C(C)C[NH2+][C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000968752817 613348495 /nfs/dbraw/zinc/34/84/95/613348495.db2.gz UXTGHMSQTHFLQI-RKDXNWHRSA-N 1 2 268.254 1.653 20 30 CDEDLO C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000968752817 613348496 /nfs/dbraw/zinc/34/84/96/613348496.db2.gz UXTGHMSQTHFLQI-RKDXNWHRSA-N 1 2 268.254 1.653 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@]23C[C@H]2COC3)C1 ZINC000969705826 613371511 /nfs/dbraw/zinc/37/15/11/613371511.db2.gz FNAXYCAOEPLHGT-OSMZGAPFSA-N 1 2 284.787 1.212 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc[nH]2)C1 ZINC000969286700 613371865 /nfs/dbraw/zinc/37/18/65/613371865.db2.gz GKXOUZSAXBQKKY-SNVBAGLBSA-N 1 2 267.760 1.817 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2nnc[nH]2)C[C@H]1C ZINC000947907278 613378808 /nfs/dbraw/zinc/37/88/08/613378808.db2.gz GAAODBCRXKNTEU-MNOVXSKESA-N 1 2 297.790 1.069 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2nnc[nH]2)C[C@H]1C ZINC000947907278 613378809 /nfs/dbraw/zinc/37/88/09/613378809.db2.gz GAAODBCRXKNTEU-MNOVXSKESA-N 1 2 297.790 1.069 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cnnn2C)C(C)(C)C1 ZINC000974543145 613381222 /nfs/dbraw/zinc/38/12/22/613381222.db2.gz YOYBCPQMUAWHAW-NSHDSACASA-N 1 2 297.790 1.008 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cnnn2C)C(C)(C)C1 ZINC000974543145 613381223 /nfs/dbraw/zinc/38/12/23/613381223.db2.gz YOYBCPQMUAWHAW-NSHDSACASA-N 1 2 297.790 1.008 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1C[NH+](CCOC)C1 ZINC000950353044 613455977 /nfs/dbraw/zinc/45/59/77/613455977.db2.gz CJBUCYRNQAQFAR-CABCVRRESA-N 1 2 296.411 1.147 20 30 CDEDLO O=C(CCc1c[nH]c[nH+]1)NCC#C[C@@H]1CCCCO1 ZINC000891121759 617367481 /nfs/dbraw/zinc/36/74/81/617367481.db2.gz NJGJSJGQDQPQHF-ZDUSSCGKSA-N 1 2 261.325 1.031 20 30 CDEDLO O=C(CCc1c[nH+]c[nH]1)NCC#C[C@@H]1CCCCO1 ZINC000891121759 617367483 /nfs/dbraw/zinc/36/74/83/617367483.db2.gz NJGJSJGQDQPQHF-ZDUSSCGKSA-N 1 2 261.325 1.031 20 30 CDEDLO O=C(NCC#C[C@H]1CCCCO1)[C@H]1CCn2c[nH+]cc2C1 ZINC000891124015 617367935 /nfs/dbraw/zinc/36/79/35/617367935.db2.gz HCTGAJOGLHZIGI-DZGCQCFKSA-N 1 2 287.363 1.134 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CC[C@H]2CC[C@H](C)O2)CC1 ZINC000957731019 613561671 /nfs/dbraw/zinc/56/16/71/613561671.db2.gz WDKQWRNMPADFAX-LSDHHAIUSA-N 1 2 278.396 1.502 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000957559335 613563975 /nfs/dbraw/zinc/56/39/75/613563975.db2.gz CSTLOZBRNPVTKZ-UHFFFAOYSA-N 1 2 274.339 1.536 20 30 CDEDLO CC#CC[N@@H+]1C[C@H](NC(=O)c2cncs2)C(C)(C)C1 ZINC000972842239 613624049 /nfs/dbraw/zinc/62/40/49/613624049.db2.gz WGTOGVNXPOHOTB-LBPRGKRZSA-N 1 2 277.393 1.607 20 30 CDEDLO CC#CC[N@H+]1C[C@H](NC(=O)c2cncs2)C(C)(C)C1 ZINC000972842239 613624050 /nfs/dbraw/zinc/62/40/50/613624050.db2.gz WGTOGVNXPOHOTB-LBPRGKRZSA-N 1 2 277.393 1.607 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)COC2CCC(C)CC2)CC1 ZINC000957888348 613708071 /nfs/dbraw/zinc/70/80/71/613708071.db2.gz NTBBPYYNKBZXOT-UHFFFAOYSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000957084566 613711154 /nfs/dbraw/zinc/71/11/54/613711154.db2.gz LMOOPQACPVJGRT-CABCVRRESA-N 1 2 280.412 1.768 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]2OC)CC1 ZINC000948968683 613711284 /nfs/dbraw/zinc/71/12/84/613711284.db2.gz RTYFBFBZMPEBIR-CHWSQXEVSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3cnccc3n2)CC1 ZINC000950711204 613716381 /nfs/dbraw/zinc/71/63/81/613716381.db2.gz PGQRVCCPGNJTMQ-UHFFFAOYSA-N 1 2 282.347 1.574 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C3CC3)C2)C1 ZINC000972319505 613725192 /nfs/dbraw/zinc/72/51/92/613725192.db2.gz LIOSHRBYWIWOLS-XJKSGUPXSA-N 1 2 278.396 1.522 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C3CC3)C2)C1 ZINC000972319505 613725195 /nfs/dbraw/zinc/72/51/95/613725195.db2.gz LIOSHRBYWIWOLS-XJKSGUPXSA-N 1 2 278.396 1.522 20 30 CDEDLO COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]C[C@@H](C)C#N ZINC000893543660 618079027 /nfs/dbraw/zinc/07/90/27/618079027.db2.gz DUXUBZRDSCATHL-NWDGAFQWSA-N 1 2 276.336 1.876 20 30 CDEDLO N#CCOc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)cc1 ZINC000934573829 617663635 /nfs/dbraw/zinc/66/36/35/617663635.db2.gz HLEPMNTYKXMXBR-UONOGXRCSA-N 1 2 264.300 1.494 20 30 CDEDLO N#CCOc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)cc1 ZINC000934573829 617663640 /nfs/dbraw/zinc/66/36/40/617663640.db2.gz HLEPMNTYKXMXBR-UONOGXRCSA-N 1 2 264.300 1.494 20 30 CDEDLO CN(C)c1cc(NCCNc2ncccc2C#N)[nH+]cn1 ZINC000891994448 617968151 /nfs/dbraw/zinc/96/81/51/617968151.db2.gz AXDPZHBERUVYDH-UHFFFAOYSA-N 1 2 283.339 1.333 20 30 CDEDLO CN(C)c1cc(NCCNc2ncccc2C#N)nc[nH+]1 ZINC000891994448 617968155 /nfs/dbraw/zinc/96/81/55/617968155.db2.gz AXDPZHBERUVYDH-UHFFFAOYSA-N 1 2 283.339 1.333 20 30 CDEDLO Cc1cc(N(C)C)ccc1C=[NH+]Nc1cnnn1C ZINC000841640366 618215342 /nfs/dbraw/zinc/21/53/42/618215342.db2.gz MCXGRFLBRAIHPU-UHFFFAOYSA-N 1 2 258.329 1.636 20 30 CDEDLO C[C@H]1OCC[C@]12C[N@H+](Cc1csc(C#N)c1)CCO2 ZINC000894140421 618618488 /nfs/dbraw/zinc/61/84/88/618618488.db2.gz BWVPYGKHTPSERG-RISCZKNCSA-N 1 2 278.377 2.000 20 30 CDEDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1csc(C#N)c1)CCO2 ZINC000894140421 618618493 /nfs/dbraw/zinc/61/84/93/618618493.db2.gz BWVPYGKHTPSERG-RISCZKNCSA-N 1 2 278.377 2.000 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](Nc2ncc(C(=O)OC)s2)C1 ZINC000895203332 619452034 /nfs/dbraw/zinc/45/20/34/619452034.db2.gz XBCXJVOZXABBFQ-JTQLQIEISA-N 1 2 279.365 1.439 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](Nc2ncc(C(=O)OC)s2)C1 ZINC000895203332 619452037 /nfs/dbraw/zinc/45/20/37/619452037.db2.gz XBCXJVOZXABBFQ-JTQLQIEISA-N 1 2 279.365 1.439 20 30 CDEDLO COC(=O)COc1ccccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000895450207 619672805 /nfs/dbraw/zinc/67/28/05/619672805.db2.gz CTERPFCTZXAUJW-MRXNPFEDSA-N 1 2 288.347 1.974 20 30 CDEDLO COC(=O)COc1ccccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000895450207 619672807 /nfs/dbraw/zinc/67/28/07/619672807.db2.gz CTERPFCTZXAUJW-MRXNPFEDSA-N 1 2 288.347 1.974 20 30 CDEDLO C=C[C@H](CC)CC(=O)N[C@H](Cn1cc[nH+]c1)C(=O)OC ZINC000898081529 621319987 /nfs/dbraw/zinc/31/99/87/621319987.db2.gz JEVZSNIDZFMVOM-VXGBXAGGSA-N 1 2 279.340 1.143 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)cn1 ZINC000898492851 621763053 /nfs/dbraw/zinc/76/30/53/621763053.db2.gz ZZEIDUBTNWMOFJ-CQSZACIVSA-N 1 2 275.327 1.227 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)cn1 ZINC000898492851 621763055 /nfs/dbraw/zinc/76/30/55/621763055.db2.gz ZZEIDUBTNWMOFJ-CQSZACIVSA-N 1 2 275.327 1.227 20 30 CDEDLO Cc1ccc(C(=O)/C=C\C(=O)N2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000900846146 623561835 /nfs/dbraw/zinc/56/18/35/623561835.db2.gz FVUZMJFVDXDXDL-CKXPSTMWSA-N 1 2 286.375 1.896 20 30 CDEDLO Cc1ccc(C(=O)/C=C\C(=O)N2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000900846146 623561839 /nfs/dbraw/zinc/56/18/39/623561839.db2.gz FVUZMJFVDXDXDL-CKXPSTMWSA-N 1 2 286.375 1.896 20 30 CDEDLO C[C@H](C#N)OCCO[NH+]=C(N)Cc1ccccc1F ZINC000902622179 625041765 /nfs/dbraw/zinc/04/17/65/625041765.db2.gz AWJGMXZAVOTICY-SNVBAGLBSA-N 1 2 265.288 1.795 20 30 CDEDLO CC(=O)CCn1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)nn1 ZINC000906301992 627181521 /nfs/dbraw/zinc/18/15/21/627181521.db2.gz KIZAOLSZZQMAEZ-CYBMUJFWSA-N 1 2 297.362 1.980 20 30 CDEDLO C=C[C@@H](C)ONC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000911902513 629635592 /nfs/dbraw/zinc/63/55/92/629635592.db2.gz ASEAMMLDBFECDW-CYBMUJFWSA-N 1 2 293.367 1.056 20 30 CDEDLO C=CCCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000912379641 629953012 /nfs/dbraw/zinc/95/30/12/629953012.db2.gz VQKOQVRFJYSRPY-UHFFFAOYSA-N 1 2 277.368 1.126 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccsc2C#N)[C@H](C)CO1 ZINC000912387887 629977963 /nfs/dbraw/zinc/97/79/63/629977963.db2.gz CRFHXBFERHNPMC-GHMZBOCLSA-N 1 2 293.392 1.459 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccsc2C#N)[C@H](C)CO1 ZINC000912387887 629977965 /nfs/dbraw/zinc/97/79/65/629977965.db2.gz CRFHXBFERHNPMC-GHMZBOCLSA-N 1 2 293.392 1.459 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@@H](C#N)C1 ZINC000916619246 632039256 /nfs/dbraw/zinc/03/92/56/632039256.db2.gz KTHKBXVQCJTPGY-ZDUSSCGKSA-N 1 2 294.399 1.042 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@@H](C#N)C1 ZINC000916619246 632039263 /nfs/dbraw/zinc/03/92/63/632039263.db2.gz KTHKBXVQCJTPGY-ZDUSSCGKSA-N 1 2 294.399 1.042 20 30 CDEDLO Cc1cc(C#N)nc(N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000891433676 1158811196 /nfs/dbraw/zinc/81/11/96/1158811196.db2.gz CIZBAWBWFKJLSO-UHFFFAOYSA-N 1 2 279.347 1.983 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(=O)C(C)(C)C)CC[C@H]1C ZINC001131935539 1163124511 /nfs/dbraw/zinc/12/45/11/1163124511.db2.gz VVSFBGOUFRQDGS-NEPJUHHUSA-N 1 2 264.369 1.204 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(=O)C(C)(C)C)CC[C@H]1C ZINC001131935539 1163124517 /nfs/dbraw/zinc/12/45/17/1163124517.db2.gz VVSFBGOUFRQDGS-NEPJUHHUSA-N 1 2 264.369 1.204 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc2nn[nH]c21 ZINC001085613621 1161949497 /nfs/dbraw/zinc/94/94/97/1161949497.db2.gz UZGMSHGOCOHDSX-LBPRGKRZSA-N 1 2 299.378 1.680 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc2nn[nH]c21 ZINC001085613621 1161949502 /nfs/dbraw/zinc/94/95/02/1161949502.db2.gz UZGMSHGOCOHDSX-LBPRGKRZSA-N 1 2 299.378 1.680 20 30 CDEDLO C=CCCOCC(=O)N[C@H](C)[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001113074225 1162093616 /nfs/dbraw/zinc/09/36/16/1162093616.db2.gz BXYWEPMHYXRPBA-NWDGAFQWSA-N 1 2 292.383 1.683 20 30 CDEDLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)Nc1ncccc1C#N ZINC001113154997 1162115962 /nfs/dbraw/zinc/11/59/62/1162115962.db2.gz LGIGOCBZYFGQQY-QWRGUYRKSA-N 1 2 298.350 1.224 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](CCC)OCC)CC1 ZINC001113235309 1162134724 /nfs/dbraw/zinc/13/47/24/1162134724.db2.gz WPNBUSVKXLGWIY-CQSZACIVSA-N 1 2 268.401 1.912 20 30 CDEDLO N#Cc1cc(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)c[nH]1 ZINC000866120101 1164738801 /nfs/dbraw/zinc/73/88/01/1164738801.db2.gz RCTWCEUCQXLADW-NSHDSACASA-N 1 2 264.304 1.050 20 30 CDEDLO N#Cc1cc(C(=O)N[C@H]2CCC[N@H+](CCF)C2)c[nH]1 ZINC000866120101 1164738806 /nfs/dbraw/zinc/73/88/06/1164738806.db2.gz RCTWCEUCQXLADW-NSHDSACASA-N 1 2 264.304 1.050 20 30 CDEDLO C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(C#N)c1O ZINC001275734696 1166703794 /nfs/dbraw/zinc/70/37/94/1166703794.db2.gz NLMDMZLKBHJKIR-STQMWFEESA-N 1 2 271.320 1.182 20 30 CDEDLO C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(C#N)c1O ZINC001275734696 1166703799 /nfs/dbraw/zinc/70/37/99/1166703799.db2.gz NLMDMZLKBHJKIR-STQMWFEESA-N 1 2 271.320 1.182 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001646619366 1167985781 /nfs/dbraw/zinc/98/57/81/1167985781.db2.gz UZNHDRBZKGKTIG-GXFFZTMASA-N 1 2 277.755 1.973 20 30 CDEDLO C#CC[NH2+]C[C@H]1CCCCN1C(=O)C(F)C(F)(F)F ZINC001673103115 1173825877 /nfs/dbraw/zinc/82/58/77/1173825877.db2.gz VXWWXPYAOPGILW-NXEZZACHSA-N 1 2 280.265 1.491 20 30 CDEDLO C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](F)C(F)(F)F ZINC001673103115 1173825882 /nfs/dbraw/zinc/82/58/82/1173825882.db2.gz VXWWXPYAOPGILW-NXEZZACHSA-N 1 2 280.265 1.491 20 30 CDEDLO C#CC[NH2+][C@@H](C)CCNC(=O)C(F)C(F)(F)F ZINC001717340799 1180623804 /nfs/dbraw/zinc/62/38/04/1180623804.db2.gz YTQUEPLPIJXIQP-YUMQZZPRSA-N 1 2 254.227 1.004 20 30 CDEDLO C#CC[NH2+][C@@H](C)CCNC(=O)[C@H](F)C(F)(F)F ZINC001717340799 1180623805 /nfs/dbraw/zinc/62/38/05/1180623805.db2.gz YTQUEPLPIJXIQP-YUMQZZPRSA-N 1 2 254.227 1.004 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](C)OCC)C1 ZINC001732121378 1182784515 /nfs/dbraw/zinc/78/45/15/1182784515.db2.gz CZITTXSRXKTLQN-JTQLQIEISA-N 1 2 260.765 1.212 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)COC)C1 ZINC001732151792 1182807012 /nfs/dbraw/zinc/80/70/12/1182807012.db2.gz HGVSIBFXFHVXFN-ONGXEEELSA-N 1 2 260.765 1.212 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)COC)C1 ZINC001732151792 1182807016 /nfs/dbraw/zinc/80/70/16/1182807016.db2.gz HGVSIBFXFHVXFN-ONGXEEELSA-N 1 2 260.765 1.212 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)F ZINC001734026398 1183617789 /nfs/dbraw/zinc/61/77/89/1183617789.db2.gz ONADIAGTXLJNSV-SECBINFHSA-N 1 2 250.745 1.924 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C(C)(C)F ZINC001734026398 1183617790 /nfs/dbraw/zinc/61/77/90/1183617790.db2.gz ONADIAGTXLJNSV-SECBINFHSA-N 1 2 250.745 1.924 20 30 CDEDLO C#CCN1CC[NH+](CCNC(=O)[C@H](CC)CC(C)C)CC1 ZINC001752374980 1184856084 /nfs/dbraw/zinc/85/60/84/1184856084.db2.gz FIQXWZZVPOXYIA-MRXNPFEDSA-N 1 2 293.455 1.426 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cnco1)C1CC1 ZINC001753156874 1185090247 /nfs/dbraw/zinc/09/02/47/1185090247.db2.gz MLEAYIGTPXPUBD-UHFFFAOYSA-N 1 2 269.732 1.621 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cnco1)C1CC1 ZINC001753156874 1185090249 /nfs/dbraw/zinc/09/02/49/1185090249.db2.gz MLEAYIGTPXPUBD-UHFFFAOYSA-N 1 2 269.732 1.621 20 30 CDEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)C1CCCCC1 ZINC001753343823 1185162682 /nfs/dbraw/zinc/16/26/82/1185162682.db2.gz IOMTXWCCNAUJMA-UHFFFAOYSA-N 1 2 292.427 1.166 20 30 CDEDLO Cc1cc(C[NH+]2CC(CNC(=O)C#CC3CC3)C2)sn1 ZINC001753401981 1185187894 /nfs/dbraw/zinc/18/78/94/1185187894.db2.gz YIABHJRVAMSHMS-UHFFFAOYSA-N 1 2 289.404 1.413 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC(=C)Cl ZINC001754325718 1185577189 /nfs/dbraw/zinc/57/71/89/1185577189.db2.gz UPYLLDGNOXHYGU-XQQFMLRXSA-N 1 2 286.803 1.767 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC(=C)Cl ZINC001754325718 1185577192 /nfs/dbraw/zinc/57/71/92/1185577192.db2.gz UPYLLDGNOXHYGU-XQQFMLRXSA-N 1 2 286.803 1.767 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC1([NH2+]Cc2nonc2C)CC1 ZINC001754522681 1185657186 /nfs/dbraw/zinc/65/71/86/1185657186.db2.gz UWLITOKIMPJJLY-GFCCVEGCSA-N 1 2 292.383 1.719 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CCc2ccncc2)C1 ZINC001754576977 1185672786 /nfs/dbraw/zinc/67/27/86/1185672786.db2.gz GVCUPFZETADZOB-UHFFFAOYSA-N 1 2 273.380 1.733 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](CCC)OC)CO2 ZINC001755062925 1185803793 /nfs/dbraw/zinc/80/37/93/1185803793.db2.gz HRXIZGHPGAGMAS-KGLIPLIRSA-N 1 2 296.411 1.337 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C)CC=CC2)[C@H](O)C1 ZINC001090550446 1164221705 /nfs/dbraw/zinc/22/17/05/1164221705.db2.gz RYMDWCOFIFQQKB-QWHCGFSZSA-N 1 2 298.814 1.647 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C)CC=CC2)[C@H](O)C1 ZINC001090550446 1164221710 /nfs/dbraw/zinc/22/17/10/1164221710.db2.gz RYMDWCOFIFQQKB-QWHCGFSZSA-N 1 2 298.814 1.647 20 30 CDEDLO C=CC[NH+]1CCN(c2nc(C)cc(OC)c2[N+](=O)[O-])CC1 ZINC001165031825 721866452 /nfs/dbraw/zinc/86/64/52/721866452.db2.gz XDIIOFBGRUVMNM-UHFFFAOYSA-N 1 2 292.339 1.615 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(F)ccc(F)c1OC ZINC001038592420 730422366 /nfs/dbraw/zinc/42/23/66/730422366.db2.gz LAIVLFHORWLCLF-SNVBAGLBSA-N 1 2 294.301 1.411 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(F)ccc(F)c1OC ZINC001038592420 730422367 /nfs/dbraw/zinc/42/23/67/730422367.db2.gz LAIVLFHORWLCLF-SNVBAGLBSA-N 1 2 294.301 1.411 20 30 CDEDLO C=CC[N@@H+]1CCCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000989591942 730424755 /nfs/dbraw/zinc/42/47/55/730424755.db2.gz IEGJKIUYNNYTFG-UHFFFAOYSA-N 1 2 284.363 1.897 20 30 CDEDLO C=CC[N@H+]1CCCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000989591942 730424756 /nfs/dbraw/zinc/42/47/56/730424756.db2.gz IEGJKIUYNNYTFG-UHFFFAOYSA-N 1 2 284.363 1.897 20 30 CDEDLO CC(C)OC(=O)[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)C(C)C ZINC000886231602 730428634 /nfs/dbraw/zinc/42/86/34/730428634.db2.gz HMEQTIVYCQOLSN-KBPBESRZSA-N 1 2 296.411 1.997 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC001032942398 730432761 /nfs/dbraw/zinc/43/27/61/730432761.db2.gz LZBMRDFMJYRKJF-VXGBXAGGSA-N 1 2 272.776 1.308 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC001032942398 730432765 /nfs/dbraw/zinc/43/27/65/730432765.db2.gz LZBMRDFMJYRKJF-VXGBXAGGSA-N 1 2 272.776 1.308 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccoc2Cl)C1 ZINC001042662226 730434378 /nfs/dbraw/zinc/43/43/78/730434378.db2.gz SRBSJIZLLJPDNC-UHFFFAOYSA-N 1 2 266.728 1.713 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1CCC(F)CC1 ZINC000884376377 730461045 /nfs/dbraw/zinc/46/10/45/730461045.db2.gz GKPHDSPENXYKPH-MCIGGMRASA-N 1 2 286.347 1.078 20 30 CDEDLO C#CCCCS(=O)(=O)N1CCOc2cc[nH+]cc21 ZINC000805029904 730466759 /nfs/dbraw/zinc/46/67/59/730466759.db2.gz WFYXSWRWLUTTLH-UHFFFAOYSA-N 1 2 266.322 1.024 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2n[nH]cc2F)CC1 ZINC001001120597 730471091 /nfs/dbraw/zinc/47/10/91/730471091.db2.gz ZFPRGWWHGOWHRT-UHFFFAOYSA-N 1 2 298.749 1.663 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2n[nH]cc2F)CC1 ZINC001001120597 730471094 /nfs/dbraw/zinc/47/10/94/730471094.db2.gz ZFPRGWWHGOWHRT-UHFFFAOYSA-N 1 2 298.749 1.663 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1c1ccccc1 ZINC001038799146 730471786 /nfs/dbraw/zinc/47/17/86/730471786.db2.gz BWAHWWLSHMRABA-GVDBMIGSSA-N 1 2 298.386 1.383 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1c1ccccc1 ZINC001038799146 730471787 /nfs/dbraw/zinc/47/17/87/730471787.db2.gz BWAHWWLSHMRABA-GVDBMIGSSA-N 1 2 298.386 1.383 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(OC)c1 ZINC001038955476 730473417 /nfs/dbraw/zinc/47/34/17/730473417.db2.gz JBEQZTGTBBHMNS-AWEZNQCLSA-N 1 2 272.348 1.523 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(OC)c1 ZINC001038955476 730473419 /nfs/dbraw/zinc/47/34/19/730473419.db2.gz JBEQZTGTBBHMNS-AWEZNQCLSA-N 1 2 272.348 1.523 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C)n2ccccc12 ZINC001032519062 730517104 /nfs/dbraw/zinc/51/71/04/730517104.db2.gz NIHUFKSZIJVCQA-KBPBESRZSA-N 1 2 294.358 1.175 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C)n2ccccc12 ZINC001032519062 730517108 /nfs/dbraw/zinc/51/71/08/730517108.db2.gz NIHUFKSZIJVCQA-KBPBESRZSA-N 1 2 294.358 1.175 20 30 CDEDLO N#CCCCCCC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000805697697 730527137 /nfs/dbraw/zinc/52/71/37/730527137.db2.gz DUHFYZBTZOIGED-OKILXGFUSA-N 1 2 280.368 1.867 20 30 CDEDLO N#CCCCCCC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000805697697 730527142 /nfs/dbraw/zinc/52/71/42/730527142.db2.gz DUHFYZBTZOIGED-OKILXGFUSA-N 1 2 280.368 1.867 20 30 CDEDLO C[C@@H]1CCCCN1C(=O)CO[NH+]=C(N)c1ccccc1 ZINC000072807315 730528639 /nfs/dbraw/zinc/52/86/39/730528639.db2.gz HXPGHKIHEUFCMY-GFCCVEGCSA-N 1 2 275.352 1.725 20 30 CDEDLO C=C(CO)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000798285615 730545956 /nfs/dbraw/zinc/54/59/56/730545956.db2.gz ZJYMKEQAHLMTCW-UHFFFAOYSA-N 1 2 264.325 1.214 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(OC)c1OC ZINC001038954135 730566513 /nfs/dbraw/zinc/56/65/13/730566513.db2.gz RMTIJOAJURNYJI-GFCCVEGCSA-N 1 2 288.347 1.141 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(OC)c1OC ZINC001038954135 730566514 /nfs/dbraw/zinc/56/65/14/730566514.db2.gz RMTIJOAJURNYJI-GFCCVEGCSA-N 1 2 288.347 1.141 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001038635061 730585172 /nfs/dbraw/zinc/58/51/72/730585172.db2.gz SMUOWKVIQPFFCD-HIFRSBDPSA-N 1 2 272.323 1.289 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001038635061 730585174 /nfs/dbraw/zinc/58/51/74/730585174.db2.gz SMUOWKVIQPFFCD-HIFRSBDPSA-N 1 2 272.323 1.289 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(C)c(Cl)n2)nn1 ZINC000881309477 730585467 /nfs/dbraw/zinc/58/54/67/730585467.db2.gz VIEUXBKALOHIPZ-UHFFFAOYSA-N 1 2 289.770 1.796 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2scnc2C2CC2)C1 ZINC000923566138 730593330 /nfs/dbraw/zinc/59/33/30/730593330.db2.gz JCISJYMRNBBQJV-LBPRGKRZSA-N 1 2 289.404 1.848 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2scnc2C2CC2)C1 ZINC000923566138 730593342 /nfs/dbraw/zinc/59/33/42/730593342.db2.gz JCISJYMRNBBQJV-LBPRGKRZSA-N 1 2 289.404 1.848 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1cncs1 ZINC001038078452 730616874 /nfs/dbraw/zinc/61/68/74/730616874.db2.gz FFKTYNJVBGTXOX-JTQLQIEISA-N 1 2 251.355 1.523 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1cncs1 ZINC001038078452 730616875 /nfs/dbraw/zinc/61/68/75/730616875.db2.gz FFKTYNJVBGTXOX-JTQLQIEISA-N 1 2 251.355 1.523 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC12CCC2 ZINC001018006194 730619567 /nfs/dbraw/zinc/61/95/67/730619567.db2.gz ZBMSPPDNOHMVRX-HZSPNIEDSA-N 1 2 258.365 1.485 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC12CCC2 ZINC001018006194 730619574 /nfs/dbraw/zinc/61/95/74/730619574.db2.gz ZBMSPPDNOHMVRX-HZSPNIEDSA-N 1 2 258.365 1.485 20 30 CDEDLO C[C@H](CC(=O)[C@H](C#N)C(=O)N1CCCC1)n1cc[nH+]c1 ZINC000845438804 730644086 /nfs/dbraw/zinc/64/40/86/730644086.db2.gz BCLUCOBMKSZQNC-NEPJUHHUSA-N 1 2 274.324 1.165 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(Cl)c2)C1 ZINC001035591348 730657056 /nfs/dbraw/zinc/65/70/56/730657056.db2.gz JLZGYZGWJRCOQH-AWEZNQCLSA-N 1 2 294.782 1.957 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cccc(Cl)c2)C1 ZINC001035591348 730657061 /nfs/dbraw/zinc/65/70/61/730657061.db2.gz JLZGYZGWJRCOQH-AWEZNQCLSA-N 1 2 294.782 1.957 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nccn1CC ZINC001017512899 730658447 /nfs/dbraw/zinc/65/84/47/730658447.db2.gz ZDNBDSFNNQCWNH-OKILXGFUSA-N 1 2 286.379 1.215 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nccn1CC ZINC001017512899 730658451 /nfs/dbraw/zinc/65/84/51/730658451.db2.gz ZDNBDSFNNQCWNH-OKILXGFUSA-N 1 2 286.379 1.215 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2Cc3ccncc3C2)C1 ZINC001030963457 730664153 /nfs/dbraw/zinc/66/41/53/730664153.db2.gz MAAZZOLQEBEHGG-ZDUSSCGKSA-N 1 2 271.364 1.173 20 30 CDEDLO COc1cc([C@H](C)[NH2+]Cc2ccc(C#N)cn2)on1 ZINC000926228664 730672702 /nfs/dbraw/zinc/67/27/02/730672702.db2.gz OJLBLPVCBJZUDO-VIFPVBQESA-N 1 2 258.281 1.801 20 30 CDEDLO COC(=O)C1([NH2+]CCO[C@H](C)C#N)CCCCCC1 ZINC000801939801 730701895 /nfs/dbraw/zinc/70/18/95/730701895.db2.gz HQJHYYDMZJIBQO-GFCCVEGCSA-N 1 2 268.357 1.771 20 30 CDEDLO N#Cc1ccncc1C(=O)OCCCn1cc[nH+]c1 ZINC000805717386 730713679 /nfs/dbraw/zinc/71/36/79/730713679.db2.gz JQUKFVDWANAITL-UHFFFAOYSA-N 1 2 256.265 1.397 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2[nH]c(C)nc2C)C1 ZINC001015718560 730774837 /nfs/dbraw/zinc/77/48/37/730774837.db2.gz SRLDIXAYDJZBNG-LLVKDONJSA-N 1 2 282.775 1.583 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]c(C)nc2C)C1 ZINC001015718560 730774848 /nfs/dbraw/zinc/77/48/48/730774848.db2.gz SRLDIXAYDJZBNG-LLVKDONJSA-N 1 2 282.775 1.583 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)Cc2cc(C)[nH]n2)CC1 ZINC001002576644 730853248 /nfs/dbraw/zinc/85/32/48/730853248.db2.gz ABLHYMRNZQBHBU-UHFFFAOYSA-N 1 2 296.802 1.594 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)Cc2cc(C)n[nH]2)CC1 ZINC001002576644 730853250 /nfs/dbraw/zinc/85/32/50/730853250.db2.gz ABLHYMRNZQBHBU-UHFFFAOYSA-N 1 2 296.802 1.594 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2Cc3ccccc3O2)C1 ZINC001030636725 730862635 /nfs/dbraw/zinc/86/26/35/730862635.db2.gz OKFRVLAXUCKKAY-OAHLLOKOSA-N 1 2 272.348 1.367 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)nc2ccccc21 ZINC001038986943 730863676 /nfs/dbraw/zinc/86/36/76/730863676.db2.gz WWUNYLMSOYNTGD-CQSZACIVSA-N 1 2 293.370 1.981 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)nc2ccccc21 ZINC001038986943 730863677 /nfs/dbraw/zinc/86/36/77/730863677.db2.gz WWUNYLMSOYNTGD-CQSZACIVSA-N 1 2 293.370 1.981 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cccc(F)c1 ZINC001050803039 730867567 /nfs/dbraw/zinc/86/75/67/730867567.db2.gz QUWYZAGMVNAEFP-OAHLLOKOSA-N 1 2 292.354 1.832 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc(F)c1 ZINC001050803039 730867569 /nfs/dbraw/zinc/86/75/69/730867569.db2.gz QUWYZAGMVNAEFP-OAHLLOKOSA-N 1 2 292.354 1.832 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)n(C(C)C)n1 ZINC001032821173 730871482 /nfs/dbraw/zinc/87/14/82/730871482.db2.gz RJPHBXAPOYZZLQ-KBPBESRZSA-N 1 2 286.379 1.304 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)n(C(C)C)n1 ZINC001032821173 730871483 /nfs/dbraw/zinc/87/14/83/730871483.db2.gz RJPHBXAPOYZZLQ-KBPBESRZSA-N 1 2 286.379 1.304 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@@](C)(O)c2ccccc2)nn1 ZINC000881406221 730880471 /nfs/dbraw/zinc/88/04/71/730880471.db2.gz IIECDTLUYADIFH-MRXNPFEDSA-N 1 2 284.363 1.299 20 30 CDEDLO NC(=[NH+]OCC(=O)NCc1cccs1)c1ccccc1 ZINC000028774991 730882133 /nfs/dbraw/zinc/88/21/33/730882133.db2.gz LLNKLOZCZGVXON-UHFFFAOYSA-N 1 2 289.360 1.701 20 30 CDEDLO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC001007504044 730883577 /nfs/dbraw/zinc/88/35/77/730883577.db2.gz UYDJDZQYGBBXSC-CYBMUJFWSA-N 1 2 279.359 1.838 20 30 CDEDLO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC001007504044 730883579 /nfs/dbraw/zinc/88/35/79/730883579.db2.gz UYDJDZQYGBBXSC-CYBMUJFWSA-N 1 2 279.359 1.838 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2occc2C)C1 ZINC001035291496 730891516 /nfs/dbraw/zinc/89/15/16/730891516.db2.gz UDTCLSNNYDFLCL-CYBMUJFWSA-N 1 2 276.336 1.042 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2occc2C)C1 ZINC001035291496 730891520 /nfs/dbraw/zinc/89/15/20/730891520.db2.gz UDTCLSNNYDFLCL-CYBMUJFWSA-N 1 2 276.336 1.042 20 30 CDEDLO C=CC[C@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)OC ZINC000884566796 730901087 /nfs/dbraw/zinc/90/10/87/730901087.db2.gz TYLTVXNFSODLDJ-QWRGUYRKSA-N 1 2 266.297 1.495 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ncnc3sccc32)C1 ZINC001030340322 730905979 /nfs/dbraw/zinc/90/59/79/730905979.db2.gz VICYUQUORJVPKE-UHFFFAOYSA-N 1 2 288.376 1.681 20 30 CDEDLO CCOc1cccc(/C=N/CC[NH+]2CCOCC2)c1O ZINC000060802899 730957612 /nfs/dbraw/zinc/95/76/12/730957612.db2.gz QNWMFNNXQXNJHS-FOWTUZBSSA-N 1 2 278.352 1.542 20 30 CDEDLO Cc1nc(NC[C@H]2CCCN(C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001060029574 730987440 /nfs/dbraw/zinc/98/74/40/730987440.db2.gz YQEPXWMITCQHLR-OAHLLOKOSA-N 1 2 298.390 1.849 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C)cc2F)C1 ZINC001031005101 731022246 /nfs/dbraw/zinc/02/22/46/731022246.db2.gz MCACGSDOYPMJND-UHFFFAOYSA-N 1 2 260.312 1.571 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cn3ccc(C)cc3n2)C1 ZINC001030625345 731028924 /nfs/dbraw/zinc/02/89/24/731028924.db2.gz MAINZKVSWHZVQO-UHFFFAOYSA-N 1 2 282.347 1.080 20 30 CDEDLO C=CC[N@@H+](CC(=O)OCC)C[C@H](OC)C1CCOCC1 ZINC000876609195 731045986 /nfs/dbraw/zinc/04/59/86/731045986.db2.gz ITQXQPOJJDSLED-AWEZNQCLSA-N 1 2 285.384 1.479 20 30 CDEDLO C=CC[N@H+](CC(=O)OCC)C[C@H](OC)C1CCOCC1 ZINC000876609195 731045990 /nfs/dbraw/zinc/04/59/90/731045990.db2.gz ITQXQPOJJDSLED-AWEZNQCLSA-N 1 2 285.384 1.479 20 30 CDEDLO Cc1noc([C@@H](C)[N@H+](C)C[C@H](O)c2ccc(C#N)cc2)n1 ZINC000844363362 731095855 /nfs/dbraw/zinc/09/58/55/731095855.db2.gz RZCKXKIXFSGNAH-YGRLFVJLSA-N 1 2 286.335 1.976 20 30 CDEDLO Cc1noc([C@@H](C)[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)n1 ZINC000844363362 731095865 /nfs/dbraw/zinc/09/58/65/731095865.db2.gz RZCKXKIXFSGNAH-YGRLFVJLSA-N 1 2 286.335 1.976 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccccc1F ZINC001032688712 731119295 /nfs/dbraw/zinc/11/92/95/731119295.db2.gz LXEMTSYELAUZKC-RDBSUJKOSA-N 1 2 286.350 1.848 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccccc1F ZINC001032688712 731119299 /nfs/dbraw/zinc/11/92/99/731119299.db2.gz LXEMTSYELAUZKC-RDBSUJKOSA-N 1 2 286.350 1.848 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(C2CCCC2)n1 ZINC001038310948 731123483 /nfs/dbraw/zinc/12/34/83/731123483.db2.gz NTIOWDCULCBETP-CQSZACIVSA-N 1 2 286.379 1.436 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(C2CCCC2)n1 ZINC001038310948 731123488 /nfs/dbraw/zinc/12/34/88/731123488.db2.gz NTIOWDCULCBETP-CQSZACIVSA-N 1 2 286.379 1.436 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ncn(C(C)(C)C)n2)C1 ZINC001043864367 731139382 /nfs/dbraw/zinc/13/93/82/731139382.db2.gz JPCWXPVDLUEFSC-UHFFFAOYSA-N 1 2 291.399 1.365 20 30 CDEDLO C=CC[C@@H](C(=O)OC)[NH+]1CCC(C(=O)OC(C)C)CC1 ZINC000886732925 731206170 /nfs/dbraw/zinc/20/61/70/731206170.db2.gz VKKTXBJUOHHJOH-ZDUSSCGKSA-N 1 2 283.368 1.768 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ncccn1 ZINC000960504495 731218025 /nfs/dbraw/zinc/21/80/25/731218025.db2.gz VICOBXKDGUBZLD-QWHCGFSZSA-N 1 2 287.367 1.059 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ncccn1 ZINC000960504495 731218031 /nfs/dbraw/zinc/21/80/31/731218031.db2.gz VICOBXKDGUBZLD-QWHCGFSZSA-N 1 2 287.367 1.059 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ncc3ccccn32)C1 ZINC001043339072 731229822 /nfs/dbraw/zinc/22/98/22/731229822.db2.gz XFUODJSKPQZESE-UHFFFAOYSA-N 1 2 282.347 1.114 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2oc(CCC)nc2C)C1 ZINC001031260670 731252819 /nfs/dbraw/zinc/25/28/19/731252819.db2.gz HOFLDAFKWQFHTB-UHFFFAOYSA-N 1 2 277.368 1.926 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2c(Cl)n[nH]c2CC)CC1 ZINC000859002897 731263527 /nfs/dbraw/zinc/26/35/27/731263527.db2.gz AQDVXNLKOZPWFP-UHFFFAOYSA-N 1 2 294.786 1.407 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001051081868 731268241 /nfs/dbraw/zinc/26/82/41/731268241.db2.gz POGRTEIIYMLAHV-CBBWQLFWSA-N 1 2 278.396 1.426 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001051081868 731268247 /nfs/dbraw/zinc/26/82/47/731268247.db2.gz POGRTEIIYMLAHV-CBBWQLFWSA-N 1 2 278.396 1.426 20 30 CDEDLO C#CC[N@H+]1CCCC[C@H](NC(=O)c2snnc2CC)C1 ZINC001034297120 731286715 /nfs/dbraw/zinc/28/67/15/731286715.db2.gz NXSTWMZUXKDQPK-NSHDSACASA-N 1 2 292.408 1.318 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@H](NC(=O)c2snnc2CC)C1 ZINC001034297120 731286723 /nfs/dbraw/zinc/28/67/23/731286723.db2.gz NXSTWMZUXKDQPK-NSHDSACASA-N 1 2 292.408 1.318 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2nccnc21 ZINC001038849100 731290257 /nfs/dbraw/zinc/29/02/57/731290257.db2.gz LPBSCTMINIYVAW-GFCCVEGCSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2nccnc21 ZINC001038849100 731290262 /nfs/dbraw/zinc/29/02/62/731290262.db2.gz LPBSCTMINIYVAW-GFCCVEGCSA-N 1 2 280.331 1.067 20 30 CDEDLO C[C@H]1[C@H](NCC#N)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000986428302 731314288 /nfs/dbraw/zinc/31/42/88/731314288.db2.gz VSAQXKZGWUHNJE-CMPLNLGQSA-N 1 2 283.335 1.279 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)sc2C)C1 ZINC001030625867 731327165 /nfs/dbraw/zinc/32/71/65/731327165.db2.gz HNGQNFNCXNVWAU-UHFFFAOYSA-N 1 2 262.378 1.802 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1CCCCCC1 ZINC000884047041 731329131 /nfs/dbraw/zinc/32/91/31/731329131.db2.gz CAUHHLUSTSSKEV-LBPRGKRZSA-N 1 2 268.357 1.272 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC000884076869 731339452 /nfs/dbraw/zinc/33/94/52/731339452.db2.gz RHYGKHQKMAKEQR-UPJWGTAASA-N 1 2 282.384 1.470 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccn3ccnc23)C1 ZINC001044043749 731355033 /nfs/dbraw/zinc/35/50/33/731355033.db2.gz OIXBPMIRZRJACR-UHFFFAOYSA-N 1 2 284.363 1.667 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cscc2C)C1 ZINC001035325218 731355715 /nfs/dbraw/zinc/35/57/15/731355715.db2.gz CEJGZDKCKKNNID-ZDUSSCGKSA-N 1 2 292.404 1.510 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cscc2C)C1 ZINC001035325218 731355718 /nfs/dbraw/zinc/35/57/18/731355718.db2.gz CEJGZDKCKKNNID-ZDUSSCGKSA-N 1 2 292.404 1.510 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc(C)s2)[C@H]1C ZINC000993128399 731359825 /nfs/dbraw/zinc/35/98/25/731359825.db2.gz MYPZSEUFKAMOCL-ZYHUDNBSSA-N 1 2 277.393 1.667 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc(C)s2)[C@H]1C ZINC000993128399 731359831 /nfs/dbraw/zinc/35/98/31/731359831.db2.gz MYPZSEUFKAMOCL-ZYHUDNBSSA-N 1 2 277.393 1.667 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3(C)CC3)C[C@@H]21 ZINC001074251789 731361344 /nfs/dbraw/zinc/36/13/44/731361344.db2.gz CKIJNBUYKIOYJF-UONOGXRCSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(C)CC3)C[C@@H]21 ZINC001074251789 731361349 /nfs/dbraw/zinc/36/13/49/731361349.db2.gz CKIJNBUYKIOYJF-UONOGXRCSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(C(C)C)c1C ZINC001038895825 731369125 /nfs/dbraw/zinc/36/91/25/731369125.db2.gz GSQMQTLGMMCAPG-CYBMUJFWSA-N 1 2 274.368 1.210 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(C(C)C)c1C ZINC001038895825 731369127 /nfs/dbraw/zinc/36/91/27/731369127.db2.gz GSQMQTLGMMCAPG-CYBMUJFWSA-N 1 2 274.368 1.210 20 30 CDEDLO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(OC)ns1 ZINC001032409992 731396224 /nfs/dbraw/zinc/39/62/24/731396224.db2.gz KURSFVZUFIFNMF-QWRGUYRKSA-N 1 2 291.376 1.074 20 30 CDEDLO C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(OC)ns1 ZINC001032409992 731396227 /nfs/dbraw/zinc/39/62/27/731396227.db2.gz KURSFVZUFIFNMF-QWRGUYRKSA-N 1 2 291.376 1.074 20 30 CDEDLO C[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C[C@H](C)[S@@]1=O ZINC000886168830 731423875 /nfs/dbraw/zinc/42/38/75/731423875.db2.gz ZYVKKXNDJKVGCP-JHXTVGTDSA-N 1 2 284.425 1.273 20 30 CDEDLO C[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCC2)C[C@H](C)[S@@]1=O ZINC000886168830 731423880 /nfs/dbraw/zinc/42/38/80/731423880.db2.gz ZYVKKXNDJKVGCP-JHXTVGTDSA-N 1 2 284.425 1.273 20 30 CDEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](CCF)[C@@H]2C)nn1 ZINC000993948142 731424348 /nfs/dbraw/zinc/42/43/48/731424348.db2.gz HVLIHMCMVVNOII-NEPJUHHUSA-N 1 2 295.362 1.016 20 30 CDEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](CCF)[C@@H]2C)nn1 ZINC000993948142 731424351 /nfs/dbraw/zinc/42/43/51/731424351.db2.gz HVLIHMCMVVNOII-NEPJUHHUSA-N 1 2 295.362 1.016 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2c(F)ccnc2F)C1 ZINC000923560613 731429917 /nfs/dbraw/zinc/42/99/17/731429917.db2.gz ZFSYFFCQSBZWNV-SNVBAGLBSA-N 1 2 279.290 1.187 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c(F)ccnc2F)C1 ZINC000923560613 731429919 /nfs/dbraw/zinc/42/99/19/731429919.db2.gz ZFSYFFCQSBZWNV-SNVBAGLBSA-N 1 2 279.290 1.187 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC001043317488 731458383 /nfs/dbraw/zinc/45/83/83/731458383.db2.gz LYJRMPCRKSYCOT-CQSZACIVSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2Cc3ccncc3C2)C1 ZINC001043878825 731458625 /nfs/dbraw/zinc/45/86/25/731458625.db2.gz GKXPKIPMMRPQFV-AWEZNQCLSA-N 1 2 285.391 1.515 20 30 CDEDLO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041715257 731461200 /nfs/dbraw/zinc/46/12/00/731461200.db2.gz ULCACJYOKVEQFO-MRXNPFEDSA-N 1 2 288.395 1.453 20 30 CDEDLO C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041715257 731461201 /nfs/dbraw/zinc/46/12/01/731461201.db2.gz ULCACJYOKVEQFO-MRXNPFEDSA-N 1 2 288.395 1.453 20 30 CDEDLO C=C(CC)Cn1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000883991586 731468822 /nfs/dbraw/zinc/46/88/22/731468822.db2.gz JHJUIVACAVFPGJ-UHFFFAOYSA-N 1 2 250.346 1.201 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncc(OC)cc1F ZINC001032436295 731469273 /nfs/dbraw/zinc/46/92/73/731469273.db2.gz GZQRWFVMAVPPDA-QWRGUYRKSA-N 1 2 291.326 1.314 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncc(OC)cc1F ZINC001032436295 731469280 /nfs/dbraw/zinc/46/92/80/731469280.db2.gz GZQRWFVMAVPPDA-QWRGUYRKSA-N 1 2 291.326 1.314 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(N(C)C)c1 ZINC001032751771 731472928 /nfs/dbraw/zinc/47/29/28/731472928.db2.gz KLERGGXUCUZBDD-HOTGVXAUSA-N 1 2 283.375 1.285 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(N(C)C)c1 ZINC001032751771 731472938 /nfs/dbraw/zinc/47/29/38/731472938.db2.gz KLERGGXUCUZBDD-HOTGVXAUSA-N 1 2 283.375 1.285 20 30 CDEDLO C=CC(C)(C)CC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928634957 731489122 /nfs/dbraw/zinc/48/91/22/731489122.db2.gz MQVINALUVKFZSS-CYBMUJFWSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001035318799 731501968 /nfs/dbraw/zinc/50/19/68/731501968.db2.gz HYMQQBYGSYWFJW-IGQOVBAYSA-N 1 2 264.369 1.036 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001035318799 731501978 /nfs/dbraw/zinc/50/19/78/731501978.db2.gz HYMQQBYGSYWFJW-IGQOVBAYSA-N 1 2 264.369 1.036 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(CC)s2)C1 ZINC001035435361 731510345 /nfs/dbraw/zinc/51/03/45/731510345.db2.gz PNTQLLFZHOUZBI-GFCCVEGCSA-N 1 2 294.420 1.927 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(CC)s2)C1 ZINC001035435361 731510355 /nfs/dbraw/zinc/51/03/55/731510355.db2.gz PNTQLLFZHOUZBI-GFCCVEGCSA-N 1 2 294.420 1.927 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cncnc2C)C1 ZINC001032930513 731512381 /nfs/dbraw/zinc/51/23/81/731512381.db2.gz CMOFPVRVHDWGOP-LBPRGKRZSA-N 1 2 294.786 1.684 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cncnc2C)C1 ZINC001032930513 731512386 /nfs/dbraw/zinc/51/23/86/731512386.db2.gz CMOFPVRVHDWGOP-LBPRGKRZSA-N 1 2 294.786 1.684 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1cn(C(C)C)nn1 ZINC000926125832 731524218 /nfs/dbraw/zinc/52/42/18/731524218.db2.gz MSCYDBPRVARERF-LLVKDONJSA-N 1 2 286.401 1.110 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc[nH]c2C)C1 ZINC001035327444 731529938 /nfs/dbraw/zinc/52/99/38/731529938.db2.gz MMNKASKTUVPOGZ-ZDUSSCGKSA-N 1 2 277.368 1.330 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc[nH]c2C)C1 ZINC001035327444 731529939 /nfs/dbraw/zinc/52/99/39/731529939.db2.gz MMNKASKTUVPOGZ-ZDUSSCGKSA-N 1 2 277.368 1.330 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)C=C)C[C@@H]21 ZINC001074312547 731535892 /nfs/dbraw/zinc/53/58/92/731535892.db2.gz OUPJWYOXQSWVKI-GJZGRUSLSA-N 1 2 290.407 1.524 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)C=C)C[C@@H]21 ZINC001074312547 731535895 /nfs/dbraw/zinc/53/58/95/731535895.db2.gz OUPJWYOXQSWVKI-GJZGRUSLSA-N 1 2 290.407 1.524 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(F)F)CC1 ZINC001017550495 731536044 /nfs/dbraw/zinc/53/60/44/731536044.db2.gz BIWVAFVDSYJIPX-TXEJJXNPSA-N 1 2 282.334 1.730 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(F)F)CC1 ZINC001017550495 731536048 /nfs/dbraw/zinc/53/60/48/731536048.db2.gz BIWVAFVDSYJIPX-TXEJJXNPSA-N 1 2 282.334 1.730 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1(CC(C)C)CC1 ZINC000884416129 731545904 /nfs/dbraw/zinc/54/59/04/731545904.db2.gz RAUCSZWWIUYQGB-NSHDSACASA-N 1 2 268.357 1.128 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2[nH]c(=O)oc21 ZINC001039086768 731546899 /nfs/dbraw/zinc/54/68/99/731546899.db2.gz NKKLUYHTYGKZJV-NSHDSACASA-N 1 2 299.330 1.361 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2[nH]c(=O)oc21 ZINC001039086768 731546902 /nfs/dbraw/zinc/54/69/02/731546902.db2.gz NKKLUYHTYGKZJV-NSHDSACASA-N 1 2 299.330 1.361 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](OC)C1CCCC1 ZINC001032756019 731569934 /nfs/dbraw/zinc/56/99/34/731569934.db2.gz XAWCBMFKBXBJRA-JYJNAYRXSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](OC)C1CCCC1 ZINC001032756019 731569939 /nfs/dbraw/zinc/56/99/39/731569939.db2.gz XAWCBMFKBXBJRA-JYJNAYRXSA-N 1 2 290.407 1.500 20 30 CDEDLO COC(=O)c1ccc(OC)c(C[NH2+][C@@H](C)CC#N)c1 ZINC000878820121 731576559 /nfs/dbraw/zinc/57/65/59/731576559.db2.gz HNVXAIAPCCYIDO-JTQLQIEISA-N 1 2 262.309 1.874 20 30 CDEDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000093049985 731619175 /nfs/dbraw/zinc/61/91/75/731619175.db2.gz QDZZJBJXVVUVQI-SWLSCSKDSA-N 1 2 287.363 1.688 20 30 CDEDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000093049985 731619181 /nfs/dbraw/zinc/61/91/81/731619181.db2.gz QDZZJBJXVVUVQI-SWLSCSKDSA-N 1 2 287.363 1.688 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccoc1 ZINC001050820411 731632294 /nfs/dbraw/zinc/63/22/94/731632294.db2.gz PDZKEAFLQTUGSI-ZDUSSCGKSA-N 1 2 264.325 1.286 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccoc1 ZINC001050820411 731632295 /nfs/dbraw/zinc/63/22/95/731632295.db2.gz PDZKEAFLQTUGSI-ZDUSSCGKSA-N 1 2 264.325 1.286 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCN(c3ccccc3)C2)C1 ZINC001030507047 731667625 /nfs/dbraw/zinc/66/76/25/731667625.db2.gz ZCMQONZDJXMICT-OAHLLOKOSA-N 1 2 297.402 1.337 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1(CC=C)CCCC1 ZINC000884410266 731672172 /nfs/dbraw/zinc/67/21/72/731672172.db2.gz FILKGMGIGHRNGE-LBPRGKRZSA-N 1 2 280.368 1.438 20 30 CDEDLO N#Cc1ccc(CO[NH+]=C(N)CCO)c(Cl)c1 ZINC000783987124 731747101 /nfs/dbraw/zinc/74/71/01/731747101.db2.gz UYBJMNKIUJYNRP-UHFFFAOYSA-N 1 2 253.689 1.593 20 30 CDEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)nc1 ZINC000844136269 731771475 /nfs/dbraw/zinc/77/14/75/731771475.db2.gz FOHPFPGKUFHESG-GFCCVEGCSA-N 1 2 281.319 1.029 20 30 CDEDLO C=C[C@H](C)ONC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000845636993 731833225 /nfs/dbraw/zinc/83/32/25/731833225.db2.gz USGDBRNXHDEZKB-NSHDSACASA-N 1 2 264.329 1.736 20 30 CDEDLO C=CCC1(C(=O)O[C@H](C)C[NH+]2CCOCC2)CCC1 ZINC000791563251 731844689 /nfs/dbraw/zinc/84/46/89/731844689.db2.gz TWDORUVNMCEJDD-CYBMUJFWSA-N 1 2 267.369 1.997 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1nccc(C)n1 ZINC001027850327 731858105 /nfs/dbraw/zinc/85/81/05/731858105.db2.gz PLNDQNHQBSNEFZ-LBPRGKRZSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1nccc(C)n1 ZINC001027850327 731858106 /nfs/dbraw/zinc/85/81/06/731858106.db2.gz PLNDQNHQBSNEFZ-LBPRGKRZSA-N 1 2 294.786 1.732 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2sccc2F)C1 ZINC001014360872 731896632 /nfs/dbraw/zinc/89/66/32/731896632.db2.gz YHALLWYINWGWJR-JTQLQIEISA-N 1 2 266.341 1.715 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2sccc2F)C1 ZINC001014360872 731896635 /nfs/dbraw/zinc/89/66/35/731896635.db2.gz YHALLWYINWGWJR-JTQLQIEISA-N 1 2 266.341 1.715 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2CCC[C@@H](OC)C2)C1 ZINC001030418117 731902463 /nfs/dbraw/zinc/90/24/63/731902463.db2.gz FKQWXXLFCNJIRX-DZGCQCFKSA-N 1 2 278.396 1.405 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001035501994 731902885 /nfs/dbraw/zinc/90/28/85/731902885.db2.gz MTTGYGLNROZQQS-HNNXBMFYSA-N 1 2 299.374 1.785 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001035501994 731902892 /nfs/dbraw/zinc/90/28/92/731902892.db2.gz MTTGYGLNROZQQS-HNNXBMFYSA-N 1 2 299.374 1.785 20 30 CDEDLO COC(=O)[C@H]1CSCC[N@@H+]1CCCC(C)(C)C#N ZINC000887074254 731917887 /nfs/dbraw/zinc/91/78/87/731917887.db2.gz RNROUSNBCKIJQQ-LLVKDONJSA-N 1 2 270.398 1.907 20 30 CDEDLO COC(=O)[C@H]1CSCC[N@H+]1CCCC(C)(C)C#N ZINC000887074254 731917890 /nfs/dbraw/zinc/91/78/90/731917890.db2.gz RNROUSNBCKIJQQ-LLVKDONJSA-N 1 2 270.398 1.907 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1snnc1C ZINC001038053713 731924285 /nfs/dbraw/zinc/92/42/85/731924285.db2.gz PNAVFKFAEIANGR-JTQLQIEISA-N 1 2 266.370 1.227 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1snnc1C ZINC001038053713 731924286 /nfs/dbraw/zinc/92/42/86/731924286.db2.gz PNAVFKFAEIANGR-JTQLQIEISA-N 1 2 266.370 1.227 20 30 CDEDLO COCOc1ccc(OC)cc1C[NH2+]C[C@@H](C)C#N ZINC000183823779 731938296 /nfs/dbraw/zinc/93/82/96/731938296.db2.gz DUOIVHAXGQYSAO-NSHDSACASA-N 1 2 264.325 1.927 20 30 CDEDLO C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CN(CC#N)C1 ZINC000969974192 731946749 /nfs/dbraw/zinc/94/67/49/731946749.db2.gz UKKXGTNMKGJWRE-JTQLQIEISA-N 1 2 283.335 1.137 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001058537132 732000953 /nfs/dbraw/zinc/00/09/53/732000953.db2.gz YCCNJVHIRBCZTC-ZDUSSCGKSA-N 1 2 286.379 1.836 20 30 CDEDLO Cc1nc(N[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C)cc[nH+]1 ZINC001040122591 732001907 /nfs/dbraw/zinc/00/19/07/732001907.db2.gz YQTHUFWFTJVNJN-FZMZJTMJSA-N 1 2 284.363 1.600 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncc(C)cc1OC ZINC001032450833 732015200 /nfs/dbraw/zinc/01/52/00/732015200.db2.gz VGYCFTACCXOOKW-KBPBESRZSA-N 1 2 299.374 1.321 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncc(C)cc1OC ZINC001032450833 732015206 /nfs/dbraw/zinc/01/52/06/732015206.db2.gz VGYCFTACCXOOKW-KBPBESRZSA-N 1 2 299.374 1.321 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c(Cl)n[nH]c2CC)C1 ZINC001030427587 732127791 /nfs/dbraw/zinc/12/77/91/732127791.db2.gz HMVZDJXKEPFNQH-UHFFFAOYSA-N 1 2 280.759 1.063 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Oc1ccccc1 ZINC001018237412 732142927 /nfs/dbraw/zinc/14/29/27/732142927.db2.gz OISYIEHGEUZPKJ-OAGGEKHMSA-N 1 2 298.386 1.762 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Oc1ccccc1 ZINC001018237412 732142928 /nfs/dbraw/zinc/14/29/28/732142928.db2.gz OISYIEHGEUZPKJ-OAGGEKHMSA-N 1 2 298.386 1.762 20 30 CDEDLO CC[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1cccc(C#N)c1O ZINC000926766812 732158087 /nfs/dbraw/zinc/15/80/87/732158087.db2.gz FZPFWKPIYVWDBP-UKRRQHHQSA-N 1 2 289.379 1.371 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1[C@@H](C)CC ZINC001032428337 732159327 /nfs/dbraw/zinc/15/93/27/732159327.db2.gz PIJDNPUBPDIIOC-IHRRRGAJSA-N 1 2 286.379 1.386 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1[C@@H](C)CC ZINC001032428337 732159342 /nfs/dbraw/zinc/15/93/42/732159342.db2.gz PIJDNPUBPDIIOC-IHRRRGAJSA-N 1 2 286.379 1.386 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(F)cncc1F ZINC001032427243 732178304 /nfs/dbraw/zinc/17/83/04/732178304.db2.gz QHSBMKGOMOMJST-UWVGGRQHSA-N 1 2 279.290 1.445 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(F)cncc1F ZINC001032427243 732178307 /nfs/dbraw/zinc/17/83/07/732178307.db2.gz QHSBMKGOMOMJST-UWVGGRQHSA-N 1 2 279.290 1.445 20 30 CDEDLO C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1[nH]ncc1F ZINC001038677418 732206539 /nfs/dbraw/zinc/20/65/39/732206539.db2.gz BXANRHISUGCWSG-JTQLQIEISA-N 1 2 266.320 1.319 20 30 CDEDLO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1[nH]ncc1F ZINC001038677418 732206543 /nfs/dbraw/zinc/20/65/43/732206543.db2.gz BXANRHISUGCWSG-JTQLQIEISA-N 1 2 266.320 1.319 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2c(C)nsc2C)C1 ZINC001035616581 732216910 /nfs/dbraw/zinc/21/69/10/732216910.db2.gz LUOMOCDYWKSWMY-LBPRGKRZSA-N 1 2 295.408 1.377 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2c(C)nsc2C)C1 ZINC001035616581 732216920 /nfs/dbraw/zinc/21/69/20/732216920.db2.gz LUOMOCDYWKSWMY-LBPRGKRZSA-N 1 2 295.408 1.377 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928646101 732254645 /nfs/dbraw/zinc/25/46/45/732254645.db2.gz DNISMEXMCOJEQY-CYBMUJFWSA-N 1 2 268.401 1.816 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1COc2ccccc2C1 ZINC001038485355 732266015 /nfs/dbraw/zinc/26/60/15/732266015.db2.gz OBGIUQYWGOMHMI-GJZGRUSLSA-N 1 2 284.359 1.061 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1COc2ccccc2C1 ZINC001038485355 732266021 /nfs/dbraw/zinc/26/60/21/732266021.db2.gz OBGIUQYWGOMHMI-GJZGRUSLSA-N 1 2 284.359 1.061 20 30 CDEDLO C=CCN1CC[C@@H](OC(=O)c2ccn3c(C)c[nH+]c3c2)C1=O ZINC000848782193 732300449 /nfs/dbraw/zinc/30/04/49/732300449.db2.gz HTMWRLDWTVPBFJ-CYBMUJFWSA-N 1 2 299.330 1.586 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@H]3CC[C@@H](C)O3)C2)cn1 ZINC001031278447 732310326 /nfs/dbraw/zinc/31/03/26/732310326.db2.gz MUVWLARPAXDVNE-MLGOLLRUSA-N 1 2 299.374 1.044 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1conc1C(F)(F)F ZINC001038514130 732333083 /nfs/dbraw/zinc/33/30/83/732333083.db2.gz NTHYHHRVWSAWSH-QMMMGPOBSA-N 1 2 289.257 1.684 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1conc1C(F)(F)F ZINC001038514130 732333088 /nfs/dbraw/zinc/33/30/88/732333088.db2.gz NTHYHHRVWSAWSH-QMMMGPOBSA-N 1 2 289.257 1.684 20 30 CDEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCCCC(C)(C)C#N)C1 ZINC000805471521 732340456 /nfs/dbraw/zinc/34/04/56/732340456.db2.gz MGZIFCKWXLIUNS-GFCCVEGCSA-N 1 2 268.357 1.580 20 30 CDEDLO CC[N@H+]1CCO[C@@H](C(=O)OCCCC(C)(C)C#N)C1 ZINC000805471521 732340464 /nfs/dbraw/zinc/34/04/64/732340464.db2.gz MGZIFCKWXLIUNS-GFCCVEGCSA-N 1 2 268.357 1.580 20 30 CDEDLO Cc1nc(NC2(C)CCN(C(=O)[C@@H](C)C#N)CC2)cc[nH+]1 ZINC001067240972 732355327 /nfs/dbraw/zinc/35/53/27/732355327.db2.gz XQYWTITWPWKIBO-NSHDSACASA-N 1 2 287.367 1.738 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(C)(C)C(C)(F)F ZINC000884468514 732383501 /nfs/dbraw/zinc/38/35/01/732383501.db2.gz FKDKZULCUGFBOO-VIFPVBQESA-N 1 2 292.326 1.231 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001006779864 732395805 /nfs/dbraw/zinc/39/58/05/732395805.db2.gz DSNSILQBUOHONQ-OLZOCXBDSA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001006779864 732395809 /nfs/dbraw/zinc/39/58/09/732395809.db2.gz DSNSILQBUOHONQ-OLZOCXBDSA-N 1 2 286.803 1.889 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnn1[C@H](C)CC ZINC001038306719 732402696 /nfs/dbraw/zinc/40/26/96/732402696.db2.gz BHVMSZOMODTFRP-OLZOCXBDSA-N 1 2 274.368 1.291 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnn1[C@H](C)CC ZINC001038306719 732402697 /nfs/dbraw/zinc/40/26/97/732402697.db2.gz BHVMSZOMODTFRP-OLZOCXBDSA-N 1 2 274.368 1.291 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C(C)C)C1CCCC1 ZINC000884086110 732448378 /nfs/dbraw/zinc/44/83/78/732448378.db2.gz NIATYJRGTGQJLC-ZDUSSCGKSA-N 1 2 282.384 1.613 20 30 CDEDLO C[C@@H](c1ncccn1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000930543324 732450334 /nfs/dbraw/zinc/45/03/34/732450334.db2.gz SBGPQTXNRXYSRV-GXTWGEPZSA-N 1 2 295.346 1.958 20 30 CDEDLO C[C@@H](c1ncccn1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000930543324 732450344 /nfs/dbraw/zinc/45/03/44/732450344.db2.gz SBGPQTXNRXYSRV-GXTWGEPZSA-N 1 2 295.346 1.958 20 30 CDEDLO O=C1NCCCN1N=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000777898801 732470533 /nfs/dbraw/zinc/47/05/33/732470533.db2.gz QROKJWBCYZPMMF-UHFFFAOYSA-N 1 2 269.308 1.622 20 30 CDEDLO C#CCC[NH+]1CCN(S(=O)(=O)CCC2CCCC2)CC1 ZINC000830195441 732492190 /nfs/dbraw/zinc/49/21/90/732492190.db2.gz YTHBJRYOMCAYSE-UHFFFAOYSA-N 1 2 298.452 1.537 20 30 CDEDLO C#CCCCCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000777591833 732519321 /nfs/dbraw/zinc/51/93/21/732519321.db2.gz RZZKKPMZKKAUIV-GFCCVEGCSA-N 1 2 260.341 1.301 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2cn3cc(C)nc3s2)C1 ZINC001030442918 732521531 /nfs/dbraw/zinc/52/15/31/732521531.db2.gz IAIPMMLWFAWTBG-UHFFFAOYSA-N 1 2 290.392 1.694 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1sc(C)nc1C ZINC000884162395 732533485 /nfs/dbraw/zinc/53/34/85/732533485.db2.gz CYUPNPSGGGTVQB-VIFPVBQESA-N 1 2 283.353 1.145 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@](C)(OC)C1CC1 ZINC000812599364 732599251 /nfs/dbraw/zinc/59/92/51/732599251.db2.gz YXBAUPQDJTVEIV-ZFWWWQNUSA-N 1 2 264.369 1.015 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@](C)(OC)C1CC1 ZINC000812599364 732599252 /nfs/dbraw/zinc/59/92/52/732599252.db2.gz YXBAUPQDJTVEIV-ZFWWWQNUSA-N 1 2 264.369 1.015 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CCOCC1 ZINC001018355246 732600803 /nfs/dbraw/zinc/60/08/03/732600803.db2.gz YJAZBGYJAHMCJZ-BMFZPTHFSA-N 1 2 290.407 1.358 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CCOCC1 ZINC001018355246 732600813 /nfs/dbraw/zinc/60/08/13/732600813.db2.gz YJAZBGYJAHMCJZ-BMFZPTHFSA-N 1 2 290.407 1.358 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCCC1(F)F ZINC001038551571 732673245 /nfs/dbraw/zinc/67/32/45/732673245.db2.gz AFSWAHUCXHSXQM-RYUDHWBXSA-N 1 2 270.323 1.636 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCCC1(F)F ZINC001038551571 732673254 /nfs/dbraw/zinc/67/32/54/732673254.db2.gz AFSWAHUCXHSXQM-RYUDHWBXSA-N 1 2 270.323 1.636 20 30 CDEDLO C=C(C)CONC(=O)N(C)CCCn1cc[nH+]c1 ZINC000845600452 732718811 /nfs/dbraw/zinc/71/88/11/732718811.db2.gz GVYMZXXSJUUXGT-UHFFFAOYSA-N 1 2 252.318 1.422 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn[nH]n3)C[C@H]21 ZINC001042126874 732722055 /nfs/dbraw/zinc/72/20/55/732722055.db2.gz HUDSAPAFXCHMDG-ZYHUDNBSSA-N 1 2 295.774 1.094 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cn[nH]n3)C[C@H]21 ZINC001042126874 732722061 /nfs/dbraw/zinc/72/20/61/732722061.db2.gz HUDSAPAFXCHMDG-ZYHUDNBSSA-N 1 2 295.774 1.094 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[C@H]1C ZINC001071749534 732736946 /nfs/dbraw/zinc/73/69/46/732736946.db2.gz VXUJFJBUTMXDLI-POQQGIQPSA-N 1 2 298.814 1.600 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[C@H]1C ZINC001071749534 732736949 /nfs/dbraw/zinc/73/69/49/732736949.db2.gz VXUJFJBUTMXDLI-POQQGIQPSA-N 1 2 298.814 1.600 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ncc(Cl)s2)C1 ZINC001033897491 732759068 /nfs/dbraw/zinc/75/90/68/732759068.db2.gz OYYFERDMVQFYHI-SNVBAGLBSA-N 1 2 297.811 1.966 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ncc(Cl)s2)C1 ZINC001033897491 732759073 /nfs/dbraw/zinc/75/90/73/732759073.db2.gz OYYFERDMVQFYHI-SNVBAGLBSA-N 1 2 297.811 1.966 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)n2C)C1 ZINC001010169400 732786396 /nfs/dbraw/zinc/78/63/96/732786396.db2.gz PGSDITITBYTNFG-LBPRGKRZSA-N 1 2 281.787 1.890 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)n2C)C1 ZINC001010169400 732786402 /nfs/dbraw/zinc/78/64/02/732786402.db2.gz PGSDITITBYTNFG-LBPRGKRZSA-N 1 2 281.787 1.890 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cn3cc(C)nc3s2)C1 ZINC001014715125 732800654 /nfs/dbraw/zinc/80/06/54/732800654.db2.gz XAWYMZIVNDLQKR-LLVKDONJSA-N 1 2 288.376 1.142 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cn3cc(C)nc3s2)C1 ZINC001014715125 732800657 /nfs/dbraw/zinc/80/06/57/732800657.db2.gz XAWYMZIVNDLQKR-LLVKDONJSA-N 1 2 288.376 1.142 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1C/C=C\Cl ZINC001038267635 732809045 /nfs/dbraw/zinc/80/90/45/732809045.db2.gz WYSXYXBPGXJNEB-GZGQYIKTSA-N 1 2 298.814 1.911 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1C/C=C\Cl ZINC001038267635 732809048 /nfs/dbraw/zinc/80/90/48/732809048.db2.gz WYSXYXBPGXJNEB-GZGQYIKTSA-N 1 2 298.814 1.911 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2oc(C)nc2C)C1 ZINC000923575628 732826960 /nfs/dbraw/zinc/82/69/60/732826960.db2.gz YOULZIYVLNDTPB-GFCCVEGCSA-N 1 2 261.325 1.119 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2oc(C)nc2C)C1 ZINC000923575628 732826961 /nfs/dbraw/zinc/82/69/61/732826961.db2.gz YOULZIYVLNDTPB-GFCCVEGCSA-N 1 2 261.325 1.119 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](OC)C1 ZINC001017674865 732877767 /nfs/dbraw/zinc/87/77/67/732877767.db2.gz CSXSDNRGOQVQKO-KBXIAJHMSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](OC)C1 ZINC001017674865 732877770 /nfs/dbraw/zinc/87/77/70/732877770.db2.gz CSXSDNRGOQVQKO-KBXIAJHMSA-N 1 2 276.380 1.110 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC001010358593 732922315 /nfs/dbraw/zinc/92/23/15/732922315.db2.gz IPZQIYIZQBPFHW-JKSUJKDBSA-N 1 2 299.374 1.285 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC001010358593 732922320 /nfs/dbraw/zinc/92/23/20/732922320.db2.gz IPZQIYIZQBPFHW-JKSUJKDBSA-N 1 2 299.374 1.285 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)C2=COCCO2)C1 ZINC001046113251 732924984 /nfs/dbraw/zinc/92/49/84/732924984.db2.gz GBBFYEZUSOOGCF-CYBMUJFWSA-N 1 2 286.759 1.208 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)C2=COCCO2)C1 ZINC001046113251 732924989 /nfs/dbraw/zinc/92/49/89/732924989.db2.gz GBBFYEZUSOOGCF-CYBMUJFWSA-N 1 2 286.759 1.208 20 30 CDEDLO C#Cc1ccccc1CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000810404173 732956881 /nfs/dbraw/zinc/95/68/81/732956881.db2.gz ICNDSSIKAZRSGF-UHFFFAOYSA-N 1 2 265.316 1.490 20 30 CDEDLO C[N@@H+]1CCN(C(=O)C#CC2CC2)[C@@H](c2ccccc2)C1 ZINC000837325121 733033719 /nfs/dbraw/zinc/03/37/19/733033719.db2.gz DVNCVOCMYOLYAS-MRXNPFEDSA-N 1 2 268.360 1.915 20 30 CDEDLO C[N@H+]1CCN(C(=O)C#CC2CC2)[C@@H](c2ccccc2)C1 ZINC000837325121 733033720 /nfs/dbraw/zinc/03/37/20/733033720.db2.gz DVNCVOCMYOLYAS-MRXNPFEDSA-N 1 2 268.360 1.915 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ncn(C)n1 ZINC001024423551 733037748 /nfs/dbraw/zinc/03/77/48/733037748.db2.gz HKMFOHKCZRJWRB-NSHDSACASA-N 1 2 297.790 1.152 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ncn(C)n1 ZINC001024423551 733037750 /nfs/dbraw/zinc/03/77/50/733037750.db2.gz HKMFOHKCZRJWRB-NSHDSACASA-N 1 2 297.790 1.152 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)CC)C[C@@H]21 ZINC001074323721 733047251 /nfs/dbraw/zinc/04/72/51/733047251.db2.gz FNWAQFIXSMPOKZ-LSDHHAIUSA-N 1 2 292.423 1.748 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)CC)C[C@@H]21 ZINC001074323721 733047257 /nfs/dbraw/zinc/04/72/57/733047257.db2.gz FNWAQFIXSMPOKZ-LSDHHAIUSA-N 1 2 292.423 1.748 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1ccoc1C(=O)OC)[C@@H]1CCCO1 ZINC000775798184 733050575 /nfs/dbraw/zinc/05/05/75/733050575.db2.gz IRJMFXZHXZRIRO-NEPJUHHUSA-N 1 2 263.293 1.337 20 30 CDEDLO C=CCOc1cccnc1C(=O)NC1C[NH+](CCCF)C1 ZINC001031232056 733082470 /nfs/dbraw/zinc/08/24/70/733082470.db2.gz WMUHENIUQGDDPZ-UHFFFAOYSA-N 1 2 293.342 1.420 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnc3n2[C@@H](C)CCC3)C1 ZINC001030345212 733093476 /nfs/dbraw/zinc/09/34/76/733093476.db2.gz BAZFPYSMTCBHKC-LBPRGKRZSA-N 1 2 288.395 1.771 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCc2cc(F)ccc21 ZINC000801147217 733105755 /nfs/dbraw/zinc/10/57/55/733105755.db2.gz QDPWRGXGANUMKY-HNNXBMFYSA-N 1 2 272.323 1.812 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCc2cc(F)ccc21 ZINC000801147217 733105764 /nfs/dbraw/zinc/10/57/64/733105764.db2.gz QDPWRGXGANUMKY-HNNXBMFYSA-N 1 2 272.323 1.812 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cocc1C)O2 ZINC001053644661 733154945 /nfs/dbraw/zinc/15/49/45/733154945.db2.gz IGSGEHRKEGWDMH-ZDUSSCGKSA-N 1 2 290.363 1.737 20 30 CDEDLO C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038606167 733159109 /nfs/dbraw/zinc/15/91/09/733159109.db2.gz MRLOLOKJRXJDMX-UHIISALHSA-N 1 2 289.404 1.966 20 30 CDEDLO C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038606167 733159114 /nfs/dbraw/zinc/15/91/14/733159114.db2.gz MRLOLOKJRXJDMX-UHIISALHSA-N 1 2 289.404 1.966 20 30 CDEDLO Nc1ccc(C=[NH+]NC(=S)NC2CCCCC2)cn1 ZINC000807947473 733164135 /nfs/dbraw/zinc/16/41/35/733164135.db2.gz XEULHVRADUPDSL-UHFFFAOYSA-N 1 2 277.397 1.795 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cc1cn(CCC)nn1 ZINC000877640975 1166070899 /nfs/dbraw/zinc/07/08/99/1166070899.db2.gz KVYMMBHSHIUVCO-UHFFFAOYSA-N 1 2 250.346 1.160 20 30 CDEDLO C#CCC[N@H+](CCOC)Cc1cn(CCC)nn1 ZINC000877640975 1166070902 /nfs/dbraw/zinc/07/09/02/1166070902.db2.gz KVYMMBHSHIUVCO-UHFFFAOYSA-N 1 2 250.346 1.160 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCCC)[C@@H](O)C1 ZINC001099676301 1166998773 /nfs/dbraw/zinc/99/87/73/1166998773.db2.gz YCRZYTFIUBVNKZ-STQMWFEESA-N 1 2 288.819 1.871 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCCC)[C@@H](O)C1 ZINC001099676301 1166998780 /nfs/dbraw/zinc/99/87/80/1166998780.db2.gz YCRZYTFIUBVNKZ-STQMWFEESA-N 1 2 288.819 1.871 20 30 CDEDLO N#CCC1CCC([N@@H+]2CCNCC(F)(F)C2)CC1 ZINC001173331644 912429757 /nfs/dbraw/zinc/42/97/57/912429757.db2.gz RDHODBCACNAIRB-UHFFFAOYSA-N 1 2 257.328 1.999 20 30 CDEDLO N#CCC1CCC([N@H+]2CCNCC(F)(F)C2)CC1 ZINC001173331644 912429768 /nfs/dbraw/zinc/42/97/68/912429768.db2.gz RDHODBCACNAIRB-UHFFFAOYSA-N 1 2 257.328 1.999 20 30 CDEDLO N#CCC1CCC(N2CC[NH2+]CC(F)(F)C2)CC1 ZINC001173331644 912429780 /nfs/dbraw/zinc/42/97/80/912429780.db2.gz RDHODBCACNAIRB-UHFFFAOYSA-N 1 2 257.328 1.999 20 30 CDEDLO C=CCOC1CCC([NH2+][C@]2(C(=O)OC)CCOC2)CC1 ZINC001173319576 912454439 /nfs/dbraw/zinc/45/44/39/912454439.db2.gz MWZQDIDZOHLULY-SSDMNJCBSA-N 1 2 283.368 1.422 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)c2csc(C#N)c2)[C@@H](C)CO1 ZINC001647303990 1168540663 /nfs/dbraw/zinc/54/06/63/1168540663.db2.gz KGOYBIKJSWOBIP-WDEREUQCSA-N 1 2 293.392 1.459 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2csc(C#N)c2)[C@@H](C)CO1 ZINC001647303990 1168540676 /nfs/dbraw/zinc/54/06/76/1168540676.db2.gz KGOYBIKJSWOBIP-WDEREUQCSA-N 1 2 293.392 1.459 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2ccc3c(c2)CCO3)C1 ZINC001030763810 912703017 /nfs/dbraw/zinc/70/30/17/912703017.db2.gz OFIZITIFCOAHRK-UHFFFAOYSA-N 1 2 272.348 1.150 20 30 CDEDLO N#Cc1ncccc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001174490899 913165462 /nfs/dbraw/zinc/16/54/62/913165462.db2.gz YFOGHBCKIXJXON-UHFFFAOYSA-N 1 2 298.350 1.226 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001031012217 913394065 /nfs/dbraw/zinc/39/40/65/913394065.db2.gz MHAFTJUIDORRPH-INIZCTEOSA-N 1 2 282.387 1.615 20 30 CDEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3occc3Cl)[C@H]2C1 ZINC001083184624 893917948 /nfs/dbraw/zinc/91/79/48/893917948.db2.gz DGUZXUGOYIPBID-NWDGAFQWSA-N 1 2 296.754 1.644 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3occc3Cl)[C@H]2C1 ZINC001083184624 893917958 /nfs/dbraw/zinc/91/79/58/893917958.db2.gz DGUZXUGOYIPBID-NWDGAFQWSA-N 1 2 296.754 1.644 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn2c(cccc2C)n1 ZINC001039008034 893969287 /nfs/dbraw/zinc/96/92/87/893969287.db2.gz ZUCCMGWRXJXHJZ-AWEZNQCLSA-N 1 2 296.374 1.470 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cn2c(cccc2C)n1 ZINC001039008034 893969320 /nfs/dbraw/zinc/96/93/20/893969320.db2.gz ZUCCMGWRXJXHJZ-AWEZNQCLSA-N 1 2 296.374 1.470 20 30 CDEDLO C=CCN(CCN1CCn2c[nH+]cc2C1)C(=O)OCC ZINC001209021794 894425738 /nfs/dbraw/zinc/42/57/38/894425738.db2.gz FBENMHUMUKNRML-UHFFFAOYSA-N 1 2 278.356 1.343 20 30 CDEDLO COc1cc[nH+]cc1Nc1c(C#N)cnc2c(C#N)cnn21 ZINC001176118854 913966989 /nfs/dbraw/zinc/96/69/89/913966989.db2.gz PYWWPOTUGPIGMQ-UHFFFAOYSA-N 1 2 291.274 1.620 20 30 CDEDLO N#Cc1cccc(CO[NH+]=C(N)Cc2cccnc2)c1 ZINC000092915415 896439965 /nfs/dbraw/zinc/43/99/65/896439965.db2.gz ITDDERMPUXDQLJ-UHFFFAOYSA-N 1 2 266.304 1.985 20 30 CDEDLO C=CCO[C@H](C)C(=O)N(CC)CCNc1cc[nH+]c(C)n1 ZINC001106787704 914304019 /nfs/dbraw/zinc/30/40/19/914304019.db2.gz SGEOETRDMNEUET-GFCCVEGCSA-N 1 2 292.383 1.637 20 30 CDEDLO N#Cc1cc([N@H+]2C(=N)C=C(Cl)C=C2N)ccc1N ZINC001213429223 898986430 /nfs/dbraw/zinc/98/64/30/898986430.db2.gz ABJUXLYEAASUSA-UHFFFAOYSA-N 1 2 259.700 1.646 20 30 CDEDLO N#Cc1cc([N@@H+]2C(=N)C=C(Cl)C=C2N)ccc1N ZINC001213429223 898986437 /nfs/dbraw/zinc/98/64/37/898986437.db2.gz ABJUXLYEAASUSA-UHFFFAOYSA-N 1 2 259.700 1.646 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cnn2c1CCC2 ZINC001420581534 899594781 /nfs/dbraw/zinc/59/47/81/899594781.db2.gz KOXXKEZEQXCRDD-NSHDSACASA-N 1 2 296.802 1.632 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cnn2c1CCC2 ZINC001420581534 899594787 /nfs/dbraw/zinc/59/47/87/899594787.db2.gz KOXXKEZEQXCRDD-NSHDSACASA-N 1 2 296.802 1.632 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ncccn2)[C@H]1C ZINC000994075827 914424203 /nfs/dbraw/zinc/42/42/03/914424203.db2.gz YARQBRKOJDIWRT-VXGBXAGGSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ncccn2)[C@H]1C ZINC000994075827 914424211 /nfs/dbraw/zinc/42/42/11/914424211.db2.gz YARQBRKOJDIWRT-VXGBXAGGSA-N 1 2 294.786 1.812 20 30 CDEDLO Cc1cnc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)o1 ZINC001027335150 900436294 /nfs/dbraw/zinc/43/62/94/900436294.db2.gz CJPRLYPSKHKUST-DGCLKSJQSA-N 1 2 290.367 1.566 20 30 CDEDLO Cc1cnc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)o1 ZINC001027335150 900436303 /nfs/dbraw/zinc/43/63/03/900436303.db2.gz CJPRLYPSKHKUST-DGCLKSJQSA-N 1 2 290.367 1.566 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn[nH]1 ZINC001027767860 900800956 /nfs/dbraw/zinc/80/09/56/900800956.db2.gz LEVZUAMWAMGCOE-SNVBAGLBSA-N 1 2 268.748 1.356 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccn[nH]1 ZINC001027767860 900800961 /nfs/dbraw/zinc/80/09/61/900800961.db2.gz LEVZUAMWAMGCOE-SNVBAGLBSA-N 1 2 268.748 1.356 20 30 CDEDLO Cc1ccc2[nH+]c(CSCC(=O)NCCC#N)cn2c1 ZINC000427619376 904324700 /nfs/dbraw/zinc/32/47/00/904324700.db2.gz AELMZOOIZGCMCD-UHFFFAOYSA-N 1 2 288.376 1.906 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](OC)C3CC3)[C@@H]2C1 ZINC001075745904 904478553 /nfs/dbraw/zinc/47/85/53/904478553.db2.gz XXTZBNZMWIIRPG-MJBXVCDLSA-N 1 2 298.814 1.697 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](OC)C3CC3)[C@@H]2C1 ZINC001075745904 904478563 /nfs/dbraw/zinc/47/85/63/904478563.db2.gz XXTZBNZMWIIRPG-MJBXVCDLSA-N 1 2 298.814 1.697 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004397776 921821452 /nfs/dbraw/zinc/82/14/52/921821452.db2.gz QZJIYCFLDHBAAZ-OCCSQVGLSA-N 1 2 274.368 1.373 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004397776 921821466 /nfs/dbraw/zinc/82/14/66/921821466.db2.gz QZJIYCFLDHBAAZ-OCCSQVGLSA-N 1 2 274.368 1.373 20 30 CDEDLO CC(C)(C)[NH+]1CC(Oc2ccc(O)c(C#N)c2C#N)C1 ZINC001227620172 906404471 /nfs/dbraw/zinc/40/44/71/906404471.db2.gz XXWYCXVKMWZQAX-UHFFFAOYSA-N 1 2 271.320 1.997 20 30 CDEDLO C#CCN1C(=O)COCC12C[NH+](Cc1ccc(CC)cc1)C2 ZINC001272972849 921284816 /nfs/dbraw/zinc/28/48/16/921284816.db2.gz ZFJIDPLSWWRJGS-UHFFFAOYSA-N 1 2 298.386 1.295 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001128405154 921295773 /nfs/dbraw/zinc/29/57/73/921295773.db2.gz QTKZPKKNMHYPGA-UHFFFAOYSA-N 1 2 278.356 1.509 20 30 CDEDLO C[C@@H]1[C@@H](NC(=O)C(F)F)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088438445 907212844 /nfs/dbraw/zinc/21/28/44/907212844.db2.gz DOWIEVUUBTUXJY-OCCSQVGLSA-N 1 2 292.329 1.882 20 30 CDEDLO C[C@@H]1[C@@H](NC(=O)C(F)F)CC[N@H+]1CC#Cc1ccccc1 ZINC001088438445 907212861 /nfs/dbraw/zinc/21/28/61/907212861.db2.gz DOWIEVUUBTUXJY-OCCSQVGLSA-N 1 2 292.329 1.882 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CCOC2)[C@H]1C ZINC001088816596 909613364 /nfs/dbraw/zinc/61/33/64/909613364.db2.gz IXRXXAALORVIAG-NTZNESFSSA-N 1 2 290.766 1.447 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CCOC2)[C@H]1C ZINC001088816596 909613369 /nfs/dbraw/zinc/61/33/69/909613369.db2.gz IXRXXAALORVIAG-NTZNESFSSA-N 1 2 290.766 1.447 20 30 CDEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CCOC)CC2)C1 ZINC001105680586 909847951 /nfs/dbraw/zinc/84/79/51/909847951.db2.gz FMZJLMXUZCBENR-UHFFFAOYSA-N 1 2 296.411 1.291 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001093594044 910004255 /nfs/dbraw/zinc/00/42/55/910004255.db2.gz SXFWLWBMZHHLHE-UHFFFAOYSA-N 1 2 280.412 1.910 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCCCCCC2)C1 ZINC001077360034 910280923 /nfs/dbraw/zinc/28/09/23/910280923.db2.gz NCBQKFTXLRYJEG-HUUCEWRRSA-N 1 2 278.396 1.141 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCCCCCC2)C1 ZINC001077360034 910280933 /nfs/dbraw/zinc/28/09/33/910280933.db2.gz NCBQKFTXLRYJEG-HUUCEWRRSA-N 1 2 278.396 1.141 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCCCNc1cc[nH+]c(C)n1 ZINC001094384065 910594713 /nfs/dbraw/zinc/59/47/13/910594713.db2.gz DOBOCMXOYYMHFH-AWEZNQCLSA-N 1 2 278.356 1.030 20 30 CDEDLO Cc1nc(NCCCNC(=O)Cc2c[nH]c[nH+]2)ccc1C#N ZINC001094808271 910789800 /nfs/dbraw/zinc/78/98/00/910789800.db2.gz ISPWHYHCCHKREA-UHFFFAOYSA-N 1 2 298.350 1.146 20 30 CDEDLO C#C[C@@H](NC(=O)c1cccc2[nH+]ccn21)[C@H]1CCCO1 ZINC000775325726 921655099 /nfs/dbraw/zinc/65/50/99/921655099.db2.gz CITDZNAYDGSPSU-DGCLKSJQSA-N 1 2 269.304 1.245 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)n(C(F)F)n2)C1 ZINC001030377889 911726371 /nfs/dbraw/zinc/72/63/71/911726371.db2.gz ZEAFVDYQLVBFLP-UHFFFAOYSA-N 1 2 282.294 1.024 20 30 CDEDLO Cn1ncc(C#N)c1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212665444 911730398 /nfs/dbraw/zinc/73/03/98/911730398.db2.gz OVURKLWGZVCZCY-UHFFFAOYSA-N 1 2 283.335 1.212 20 30 CDEDLO COC(=O)[C@H]1CCC[C@@H]([NH2+]C2(C#N)CCOCC2)CC1 ZINC001172778189 911961313 /nfs/dbraw/zinc/96/13/13/911961313.db2.gz LFSLKILNQIZTKE-QWHCGFSZSA-N 1 2 280.368 1.771 20 30 CDEDLO CC(C)(C)OC(=O)C[NH+]1CCC(N2CC(C)(C#N)C2)CC1 ZINC001172892461 912051406 /nfs/dbraw/zinc/05/14/06/912051406.db2.gz WZCOIJZXRLNQLT-UHFFFAOYSA-N 1 2 293.411 1.638 20 30 CDEDLO O=C(C#Cc1ccccn1)N1CCC(n2cc[nH+]c2)CC1 ZINC001177801671 914944042 /nfs/dbraw/zinc/94/40/42/914944042.db2.gz FOXINQLNJXEJMG-UHFFFAOYSA-N 1 2 280.331 1.493 20 30 CDEDLO C=CCCO[C@H](C)C(=O)OCc1c[nH+]cn1CC ZINC001123471784 936167367 /nfs/dbraw/zinc/16/73/67/936167367.db2.gz BFKQHCZNVWWCGY-LLVKDONJSA-N 1 2 252.314 1.927 20 30 CDEDLO N#Cc1cc(CC(=O)NCCn2cc[nH+]c2)ccc1F ZINC001181169314 916891483 /nfs/dbraw/zinc/89/14/83/916891483.db2.gz CSWFHIDDWPKIDB-UHFFFAOYSA-N 1 2 272.283 1.253 20 30 CDEDLO C#CCN1C[C@@]2(F)C[N@@H+](CCCCCC=C)C[C@@]2(F)C1=O ZINC001272699704 916962038 /nfs/dbraw/zinc/96/20/38/916962038.db2.gz NAVVVQICHOEYCG-JKSUJKDBSA-N 1 2 296.361 1.940 20 30 CDEDLO C#CCN1C[C@@]2(F)C[N@H+](CCCCCC=C)C[C@@]2(F)C1=O ZINC001272699704 916962048 /nfs/dbraw/zinc/96/20/48/916962048.db2.gz NAVVVQICHOEYCG-JKSUJKDBSA-N 1 2 296.361 1.940 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC=CCC1)CO2 ZINC001053735583 936419888 /nfs/dbraw/zinc/41/98/88/936419888.db2.gz IKQNIXIUUXSBIA-GJZGRUSLSA-N 1 2 288.391 1.326 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)C1CCC1)CO2 ZINC001053844260 936421244 /nfs/dbraw/zinc/42/12/44/936421244.db2.gz FAZFARHMELJHSR-HIFRSBDPSA-N 1 2 290.407 1.405 20 30 CDEDLO CC(C)c1noc([C@@H](C)[NH2+]CCNC(=O)[C@@H](C)C#N)n1 ZINC001124908990 917758005 /nfs/dbraw/zinc/75/80/05/917758005.db2.gz XHAYTVXOBITBDA-VHSXEESVSA-N 1 2 279.344 1.119 20 30 CDEDLO Cc1noc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C#CC(C)C)C2)n1 ZINC001182413981 917861321 /nfs/dbraw/zinc/86/13/21/917861321.db2.gz AVFIJUCCPMSUHW-WCQYABFASA-N 1 2 290.367 1.289 20 30 CDEDLO C=CC[NH+]1CC(n2cc(CNC(=O)/C=C(/C)CC)nn2)C1 ZINC001107167658 918237443 /nfs/dbraw/zinc/23/74/43/918237443.db2.gz FQCZPDBSFNOUSS-GHXNOFRVSA-N 1 2 289.383 1.293 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@H]2O)CC1 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C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(CC)CC)C1 ZINC001107755930 918741500 /nfs/dbraw/zinc/74/15/00/918741500.db2.gz PCBLZXYCFNHOJI-HNNXBMFYSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C(CC)CC)C1 ZINC001107755930 918741518 /nfs/dbraw/zinc/74/15/18/918741518.db2.gz PCBLZXYCFNHOJI-HNNXBMFYSA-N 1 2 268.401 1.816 20 30 CDEDLO CC1(C)CC(=O)C=C(NC(=O)CCc2ccc(N)[nH+]c2)C1 ZINC001183937028 918751987 /nfs/dbraw/zinc/75/19/87/918751987.db2.gz YQRVWKFUFQISJE-UHFFFAOYSA-N 1 2 287.363 1.986 20 30 CDEDLO Cc1nc(NC[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001060824865 919104336 /nfs/dbraw/zinc/10/43/36/919104336.db2.gz KQEQKJXKTNHLBX-PWSUYJOCSA-N 1 2 273.340 1.205 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C)sc1C ZINC001032469270 919166294 /nfs/dbraw/zinc/16/62/94/919166294.db2.gz DTFPJZBLHRYYLB-RYUDHWBXSA-N 1 2 275.377 1.292 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C)sc1C ZINC001032469270 919166300 /nfs/dbraw/zinc/16/63/00/919166300.db2.gz DTFPJZBLHRYYLB-RYUDHWBXSA-N 1 2 275.377 1.292 20 30 CDEDLO CC[C@H](CC#N)[NH+]1CCC(C(=O)N2CCC(=O)CC2)CC1 ZINC001255173668 936565212 /nfs/dbraw/zinc/56/52/12/936565212.db2.gz ODLIAZUFPPULDE-CQSZACIVSA-N 1 2 291.395 1.582 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001185071159 919410040 /nfs/dbraw/zinc/41/00/40/919410040.db2.gz QGWMNQTXGRPFLX-NWDGAFQWSA-N 1 2 294.424 1.831 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C23CCC(O)(CC2)CC3)CC1 ZINC001185276695 919517414 /nfs/dbraw/zinc/51/74/14/919517414.db2.gz XJZMPESTGTZACU-UHFFFAOYSA-N 1 2 278.396 1.402 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2ccccc2c1 ZINC001032651042 919683733 /nfs/dbraw/zinc/68/37/33/919683733.db2.gz GMJBMZRLOJZDBO-HOTGVXAUSA-N 1 2 291.354 1.767 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2ccccc2c1 ZINC001032651042 919683736 /nfs/dbraw/zinc/68/37/36/919683736.db2.gz GMJBMZRLOJZDBO-HOTGVXAUSA-N 1 2 291.354 1.767 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C(C)C)n1 ZINC001032659665 919690490 /nfs/dbraw/zinc/69/04/90/919690490.db2.gz GNDOMSVEXLPYQX-KBPBESRZSA-N 1 2 286.379 1.386 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C(C)C)n1 ZINC001032659665 919690502 /nfs/dbraw/zinc/69/05/02/919690502.db2.gz GNDOMSVEXLPYQX-KBPBESRZSA-N 1 2 286.379 1.386 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC)c1C ZINC001032696004 919713269 /nfs/dbraw/zinc/71/32/69/919713269.db2.gz LORYMXMLBYWUSB-KBPBESRZSA-N 1 2 286.379 1.133 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC)c1C ZINC001032696004 919713277 /nfs/dbraw/zinc/71/32/77/919713277.db2.gz LORYMXMLBYWUSB-KBPBESRZSA-N 1 2 286.379 1.133 20 30 CDEDLO Cc1cc(C#N)c(F)cc1NC(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186051744 919866751 /nfs/dbraw/zinc/86/67/51/919866751.db2.gz YWFKXOZBTNRDRF-NSHDSACASA-N 1 2 277.299 1.011 20 30 CDEDLO Cc1cc(C#N)c(F)cc1NC(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186051744 919866763 /nfs/dbraw/zinc/86/67/63/919866763.db2.gz YWFKXOZBTNRDRF-NSHDSACASA-N 1 2 277.299 1.011 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](O)C2CCCCC2)CC1 ZINC001186996596 920302714 /nfs/dbraw/zinc/30/27/14/920302714.db2.gz DUFPVXGBAVMTOW-CQSZACIVSA-N 1 2 266.385 1.258 20 30 CDEDLO C=CCn1cc(C[N@@H+]2CCN(C(C)=O)[C@@H](C)C2)cn1 ZINC001139771236 936645666 /nfs/dbraw/zinc/64/56/66/936645666.db2.gz UGMJZBDMFTZEHS-LBPRGKRZSA-N 1 2 262.357 1.122 20 30 CDEDLO C=CCn1cc(C[N@H+]2CCN(C(C)=O)[C@@H](C)C2)cn1 ZINC001139771236 936645667 /nfs/dbraw/zinc/64/56/67/936645667.db2.gz UGMJZBDMFTZEHS-LBPRGKRZSA-N 1 2 262.357 1.122 20 30 CDEDLO COCC#CC(=O)N1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001187125354 920376929 /nfs/dbraw/zinc/37/69/29/920376929.db2.gz JGEAWFFEMRCOEG-UHFFFAOYSA-N 1 2 287.363 1.105 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C)n3)C[C@H]21 ZINC001187191793 920397566 /nfs/dbraw/zinc/39/75/66/920397566.db2.gz QATTUEVPJXQGAX-DZGCQCFKSA-N 1 2 288.395 1.419 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C)n3)C[C@H]21 ZINC001187191793 920397578 /nfs/dbraw/zinc/39/75/78/920397578.db2.gz 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/nfs/dbraw/zinc/12/49/02/923124902.db2.gz LAYYVRHDTCOOOY-ZFWWWQNUSA-N 1 2 290.411 1.840 20 30 CDEDLO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192550733 923124909 /nfs/dbraw/zinc/12/49/09/923124909.db2.gz LAYYVRHDTCOOOY-ZFWWWQNUSA-N 1 2 290.411 1.840 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C)CC2)[C@@H](O)C1 ZINC001090286730 923920961 /nfs/dbraw/zinc/92/09/61/923920961.db2.gz QAWVHVFPEKQQCH-QWRGUYRKSA-N 1 2 272.776 1.090 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C)CC2)[C@@H](O)C1 ZINC001090286730 923920970 /nfs/dbraw/zinc/92/09/70/923920970.db2.gz QAWVHVFPEKQQCH-QWRGUYRKSA-N 1 2 272.776 1.090 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC(OC)C2)C1 ZINC001079919451 924450796 /nfs/dbraw/zinc/45/07/96/924450796.db2.gz HBEHOGDQLIYLCY-SARFZWSYSA-N 1 2 286.803 1.600 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC(OC)C2)C1 ZINC001079919451 924450806 /nfs/dbraw/zinc/45/08/06/924450806.db2.gz HBEHOGDQLIYLCY-SARFZWSYSA-N 1 2 286.803 1.600 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)/C(C)=C\CC)CC1 ZINC001195080163 924456170 /nfs/dbraw/zinc/45/61/70/924456170.db2.gz ZVLWDMZGJSQJFK-AUWJEWJLSA-N 1 2 293.411 1.179 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)/C(C)=C\CC)CC1 ZINC001195080163 924456177 /nfs/dbraw/zinc/45/61/77/924456177.db2.gz ZVLWDMZGJSQJFK-AUWJEWJLSA-N 1 2 293.411 1.179 20 30 CDEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@H]2O)CCC1 ZINC001195940466 924761063 /nfs/dbraw/zinc/76/10/63/924761063.db2.gz WTFGMHWYFUUSCC-BJLPKZDCSA-N 1 2 298.814 1.647 20 30 CDEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@H]2O)CCC1 ZINC001195940466 924761068 /nfs/dbraw/zinc/76/10/68/924761068.db2.gz WTFGMHWYFUUSCC-BJLPKZDCSA-N 1 2 298.814 1.647 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001195924625 924768641 /nfs/dbraw/zinc/76/86/41/924768641.db2.gz XKQSQLPJXCLWND-GLBODABWSA-N 1 2 286.803 1.503 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001195924625 924768647 /nfs/dbraw/zinc/76/86/47/924768647.db2.gz XKQSQLPJXCLWND-GLBODABWSA-N 1 2 286.803 1.503 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2OC)CC1 ZINC001082101294 924857757 /nfs/dbraw/zinc/85/77/57/924857757.db2.gz ONSKPIIWOOGMNX-ZIAGYGMSSA-N 1 2 284.375 1.518 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2OC)CC1 ZINC001082101294 924857762 /nfs/dbraw/zinc/85/77/62/924857762.db2.gz ONSKPIIWOOGMNX-ZIAGYGMSSA-N 1 2 284.375 1.518 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001196853858 925001588 /nfs/dbraw/zinc/00/15/88/925001588.db2.gz MIPVIEOUWOXWQA-UONOGXRCSA-N 1 2 295.427 1.067 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001196853858 925001596 /nfs/dbraw/zinc/00/15/96/925001596.db2.gz MIPVIEOUWOXWQA-UONOGXRCSA-N 1 2 295.427 1.067 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC001196854931 925001826 /nfs/dbraw/zinc/00/18/26/925001826.db2.gz VTIDTUMTDVHBLR-UONOGXRCSA-N 1 2 295.427 1.115 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC001196854931 925001835 /nfs/dbraw/zinc/00/18/35/925001835.db2.gz VTIDTUMTDVHBLR-UONOGXRCSA-N 1 2 295.427 1.115 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C3CCC3)c2)[C@@H](O)C1 ZINC001083952620 925118906 /nfs/dbraw/zinc/11/89/06/925118906.db2.gz RGMAFXLLHQBLKK-SJORKVTESA-N 1 2 298.386 1.362 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(C3CCC3)c2)[C@@H](O)C1 ZINC001083952620 925118912 /nfs/dbraw/zinc/11/89/12/925118912.db2.gz RGMAFXLLHQBLKK-SJORKVTESA-N 1 2 298.386 1.362 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C(F)F)c2)[C@@H](O)C1 ZINC001083972947 925126235 /nfs/dbraw/zinc/12/62/35/925126235.db2.gz UIDYGFTURNEUSX-OLZOCXBDSA-N 1 2 294.301 1.032 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(C(F)F)c2)[C@@H](O)C1 ZINC001083972947 925126241 /nfs/dbraw/zinc/12/62/41/925126241.db2.gz UIDYGFTURNEUSX-OLZOCXBDSA-N 1 2 294.301 1.032 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc3ccccc3o2)[C@@H](O)C1 ZINC001084025563 925128524 /nfs/dbraw/zinc/12/85/24/925128524.db2.gz VIVLWZBJEHPSOK-OLZOCXBDSA-N 1 2 286.331 1.394 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc3ccccc3o2)[C@@H](O)C1 ZINC001084025563 925128532 /nfs/dbraw/zinc/12/85/32/925128532.db2.gz VIVLWZBJEHPSOK-OLZOCXBDSA-N 1 2 286.331 1.394 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CCOCC3)[C@@H]2C1 ZINC001084148736 925159116 /nfs/dbraw/zinc/15/91/16/925159116.db2.gz MVLZZRJNTVHEMI-ZIAGYGMSSA-N 1 2 298.814 1.698 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3CCOCC3)[C@@H]2C1 ZINC001084148736 925159117 /nfs/dbraw/zinc/15/91/17/925159117.db2.gz MVLZZRJNTVHEMI-ZIAGYGMSSA-N 1 2 298.814 1.698 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(C)nc2Cl)CC1 ZINC001142140258 936978454 /nfs/dbraw/zinc/97/84/54/936978454.db2.gz UOPWUABIVGNYHL-UHFFFAOYSA-N 1 2 263.772 1.794 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@@H](C)COC)CC1 ZINC001197639938 925196065 /nfs/dbraw/zinc/19/60/65/925196065.db2.gz GJRBNFIIYZDMRC-GFCCVEGCSA-N 1 2 288.819 1.946 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@@H](C)COC)CC1 ZINC001197639938 925196068 /nfs/dbraw/zinc/19/60/68/925196068.db2.gz GJRBNFIIYZDMRC-GFCCVEGCSA-N 1 2 288.819 1.946 20 30 CDEDLO Cc1nc(NCCN(C)C(=O)C#CC(C)C)cc[nH+]1 ZINC001101593951 936993002 /nfs/dbraw/zinc/99/30/02/936993002.db2.gz VRPCUAMUXHHFPF-UHFFFAOYSA-N 1 2 260.341 1.315 20 30 CDEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)C=C(C)C)c1nccn12 ZINC001101604300 936994009 /nfs/dbraw/zinc/99/40/09/936994009.db2.gz RIRDNWWAACXGDB-AWEZNQCLSA-N 1 2 298.390 1.445 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ncccc2N(C)C)CC1 ZINC001198225490 925362998 /nfs/dbraw/zinc/36/29/98/925362998.db2.gz MRVMAWNUUOIGTA-UHFFFAOYSA-N 1 2 274.368 1.091 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)/C=C/C1CC1)c1nccn12 ZINC001101620961 936994675 /nfs/dbraw/zinc/99/46/75/936994675.db2.gz WELNXWRNEYDXLI-VBROQKIQSA-N 1 2 298.390 1.607 20 30 CDEDLO C#CCOC[C@@H](O)C[N@@H+](C)Cc1csc(C(C)C)n1 ZINC001251850949 925574088 /nfs/dbraw/zinc/57/40/88/925574088.db2.gz ALSBJAYSPXONPX-ZDUSSCGKSA-N 1 2 282.409 1.709 20 30 CDEDLO C#CCOC[C@@H](O)C[N@H+](C)Cc1csc(C(C)C)n1 ZINC001251850949 925574092 /nfs/dbraw/zinc/57/40/92/925574092.db2.gz ALSBJAYSPXONPX-ZDUSSCGKSA-N 1 2 282.409 1.709 20 30 CDEDLO C=C(C)C(=O)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001142509728 937025032 /nfs/dbraw/zinc/02/50/32/937025032.db2.gz JWAJFOAOIPKAIP-AWEZNQCLSA-N 1 2 289.379 1.844 20 30 CDEDLO C=CCSc1ncccc1C(=O)N1CC[NH+](C)CC1 ZINC001199736406 925854428 /nfs/dbraw/zinc/85/44/28/925854428.db2.gz PGOKKFUCKDJXBZ-UHFFFAOYSA-N 1 2 277.393 1.747 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]c(CC(C)C)n1 ZINC001085595910 926193709 /nfs/dbraw/zinc/19/37/09/926193709.db2.gz PXRVTPYJHYKRPT-CYBMUJFWSA-N 1 2 288.395 1.388 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]c(CC(C)C)n1 ZINC001085595910 926193715 /nfs/dbraw/zinc/19/37/15/926193715.db2.gz PXRVTPYJHYKRPT-CYBMUJFWSA-N 1 2 288.395 1.388 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(CC)o1 ZINC001085674015 926274545 /nfs/dbraw/zinc/27/45/45/926274545.db2.gz KNFHZJWIZPJSGS-LBPRGKRZSA-N 1 2 260.337 1.622 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(CC)o1 ZINC001085674015 926274549 /nfs/dbraw/zinc/27/45/49/926274549.db2.gz KNFHZJWIZPJSGS-LBPRGKRZSA-N 1 2 260.337 1.622 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1csc(C)n1 ZINC001085782454 926389759 /nfs/dbraw/zinc/38/97/59/926389759.db2.gz USTBLKVEINFTHZ-LLVKDONJSA-N 1 2 263.366 1.231 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1csc(C)n1 ZINC001085782454 926389764 /nfs/dbraw/zinc/38/97/64/926389764.db2.gz USTBLKVEINFTHZ-LLVKDONJSA-N 1 2 263.366 1.231 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1occc1Cl ZINC001085801951 926406147 /nfs/dbraw/zinc/40/61/47/926406147.db2.gz GZYIHHIKZZQMGN-SNVBAGLBSA-N 1 2 266.728 1.713 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1occc1Cl ZINC001085801951 926406151 /nfs/dbraw/zinc/40/61/51/926406151.db2.gz GZYIHHIKZZQMGN-SNVBAGLBSA-N 1 2 266.728 1.713 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncccc1F ZINC001085894334 926484478 /nfs/dbraw/zinc/48/44/78/926484478.db2.gz XOAGNSSKEHGECD-GFCCVEGCSA-N 1 2 275.327 1.390 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ncccc1F ZINC001085894334 926484480 /nfs/dbraw/zinc/48/44/80/926484480.db2.gz XOAGNSSKEHGECD-GFCCVEGCSA-N 1 2 275.327 1.390 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1coc(CC2CC2)n1 ZINC001085899387 926487340 /nfs/dbraw/zinc/48/73/40/926487340.db2.gz COKMMOLRMFZUEF-CYBMUJFWSA-N 1 2 287.363 1.407 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1coc(CC2CC2)n1 ZINC001085899387 926487350 /nfs/dbraw/zinc/48/73/50/926487350.db2.gz COKMMOLRMFZUEF-CYBMUJFWSA-N 1 2 287.363 1.407 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2nccn2c1 ZINC001085919262 926507090 /nfs/dbraw/zinc/50/70/90/926507090.db2.gz XFEKKGJXVWVSBL-CQSZACIVSA-N 1 2 282.347 1.114 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2nccn2c1 ZINC001085919262 926507099 /nfs/dbraw/zinc/50/70/99/926507099.db2.gz XFEKKGJXVWVSBL-CQSZACIVSA-N 1 2 282.347 1.114 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(Cl)no1 ZINC001085939093 926523866 /nfs/dbraw/zinc/52/38/66/926523866.db2.gz XNLAZXLVJQITGW-SNVBAGLBSA-N 1 2 281.743 1.498 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(Cl)no1 ZINC001085939093 926523874 /nfs/dbraw/zinc/52/38/74/926523874.db2.gz XNLAZXLVJQITGW-SNVBAGLBSA-N 1 2 281.743 1.498 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC23CCC3)C1 ZINC001108248481 926771869 /nfs/dbraw/zinc/77/18/69/926771869.db2.gz KDVOPOBTXNAYHE-ZFWWWQNUSA-N 1 2 278.396 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC23CCC3)C1 ZINC001108248481 926771879 /nfs/dbraw/zinc/77/18/79/926771879.db2.gz KDVOPOBTXNAYHE-ZFWWWQNUSA-N 1 2 278.396 1.570 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@]2(C)CCCOC2)C1 ZINC001108310767 927381424 /nfs/dbraw/zinc/38/14/24/927381424.db2.gz RTNUWVQEXRBJQM-HOTGVXAUSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@]2(C)CCCOC2)C1 ZINC001108310767 927381437 /nfs/dbraw/zinc/38/14/37/927381437.db2.gz RTNUWVQEXRBJQM-HOTGVXAUSA-N 1 2 296.411 1.196 20 30 CDEDLO Cc1nc(NC[C@@H](C)CNC(=O)C#CC(C)C)cc[nH+]1 ZINC001103932456 937177990 /nfs/dbraw/zinc/17/79/90/937177990.db2.gz AYLICRLDJGZAEM-GFCCVEGCSA-N 1 2 274.368 1.609 20 30 CDEDLO CC(C)[C@H](C#N)N1CC[NH+](C[C@@H](O)c2ccccn2)CC1 ZINC000851870166 927648009 /nfs/dbraw/zinc/64/80/09/927648009.db2.gz BVAFVYVXNBKNLS-JKSUJKDBSA-N 1 2 288.395 1.281 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc3c(c2)CC/C3=N/O)C[NH2+]1 ZINC001169137415 927751144 /nfs/dbraw/zinc/75/11/44/927751144.db2.gz VOAQMVMETHSKQE-CLHATZTLSA-N 1 2 289.335 1.127 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](COC)OC ZINC000853474783 928023643 /nfs/dbraw/zinc/02/36/43/928023643.db2.gz PDZWWYKFMKIOKW-CYBMUJFWSA-N 1 2 278.352 1.947 20 30 CDEDLO CC1(C)CC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853525096 928039513 /nfs/dbraw/zinc/03/95/13/928039513.db2.gz SIQRQSUKLLKOBO-LLVKDONJSA-N 1 2 263.341 1.355 20 30 CDEDLO CC1(C)CC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853525096 928039527 /nfs/dbraw/zinc/03/95/27/928039527.db2.gz SIQRQSUKLLKOBO-LLVKDONJSA-N 1 2 263.341 1.355 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1nc(Cl)cc2[nH]ccc21 ZINC001156321151 928051137 /nfs/dbraw/zinc/05/11/37/928051137.db2.gz RPEYECYJBOSHNR-QMMMGPOBSA-N 1 2 261.716 1.518 20 30 CDEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001109313921 928880497 /nfs/dbraw/zinc/88/04/97/928880497.db2.gz XGFVSBNTWJNJQI-VPOLOUISSA-N 1 2 292.276 1.632 20 30 CDEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001109313921 928880504 /nfs/dbraw/zinc/88/05/04/928880504.db2.gz XGFVSBNTWJNJQI-VPOLOUISSA-N 1 2 292.276 1.632 20 30 CDEDLO COc1cc(NCc2cc[nH+]c(N)c2)ncc1C#N ZINC001156756406 928961590 /nfs/dbraw/zinc/96/15/90/928961590.db2.gz XQIMVFKASFCQST-UHFFFAOYSA-N 1 2 255.281 1.551 20 30 CDEDLO C=C[C@](C)(O)CNc1ccccc1C[NH+]1CCOCC1 ZINC001252559733 929292475 /nfs/dbraw/zinc/29/24/75/929292475.db2.gz BNOIUJOSOWGIHJ-INIZCTEOSA-N 1 2 276.380 1.868 20 30 CDEDLO O=C1C=C([NH2+]Nc2ccnc(F)c2)[C@@H]2CCCCN12 ZINC000799485417 937389489 /nfs/dbraw/zinc/38/94/89/937389489.db2.gz ORZSGJNGWFFIRX-NSHDSACASA-N 1 2 262.288 1.773 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)c1ncccc1O ZINC001152975324 937404601 /nfs/dbraw/zinc/40/46/01/937404601.db2.gz PZXMYYDXMPXTHV-LLVKDONJSA-N 1 2 297.786 1.980 20 30 CDEDLO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)c1ncccc1O ZINC001152975324 937404603 /nfs/dbraw/zinc/40/46/03/937404603.db2.gz PZXMYYDXMPXTHV-LLVKDONJSA-N 1 2 297.786 1.980 20 30 CDEDLO C=C1CCN(c2cc(N[C@H](CC)CO)[nH+]cn2)CC1 ZINC001120814789 937838529 /nfs/dbraw/zinc/83/85/29/937838529.db2.gz HRUQRULCVYIUOY-GFCCVEGCSA-N 1 2 262.357 1.816 20 30 CDEDLO C=C1CCN(c2cc(N[C@H](CC)CO)nc[nH+]2)CC1 ZINC001120814789 937838532 /nfs/dbraw/zinc/83/85/32/937838532.db2.gz HRUQRULCVYIUOY-GFCCVEGCSA-N 1 2 262.357 1.816 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000884126352 930451729 /nfs/dbraw/zinc/45/17/29/930451729.db2.gz WXWJHIVURNTVPX-RDBSUJKOSA-N 1 2 296.411 1.764 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1CC(C)C ZINC000884153019 930462723 /nfs/dbraw/zinc/46/27/23/930462723.db2.gz AAHXDLGCRYKYIJ-KGLIPLIRSA-N 1 2 296.411 1.860 20 30 CDEDLO C=CCCOCC(=O)N(C)C[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001115759184 937418641 /nfs/dbraw/zinc/41/86/41/937418641.db2.gz ASXCCRVIOHUVQW-LBPRGKRZSA-N 1 2 292.383 1.637 20 30 CDEDLO COc1c(F)cc(NC[C@H](O)C[N@H+](C)CCC#N)cc1F ZINC000819420474 930805240 /nfs/dbraw/zinc/80/52/40/930805240.db2.gz YFSPBSOXWSGXPR-NSHDSACASA-N 1 2 299.321 1.592 20 30 CDEDLO COc1c(F)cc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1F ZINC000819420474 930805244 /nfs/dbraw/zinc/80/52/44/930805244.db2.gz YFSPBSOXWSGXPR-NSHDSACASA-N 1 2 299.321 1.592 20 30 CDEDLO C=CCCC(=O)NC1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001095395651 931288665 /nfs/dbraw/zinc/28/86/65/931288665.db2.gz MYAARXQMHXCYMM-UHFFFAOYSA-N 1 2 274.368 1.836 20 30 CDEDLO C=CCNC(=O)[C@@H]1CC12CCN(c1cccc[nH+]1)CC2 ZINC001274739135 931563767 /nfs/dbraw/zinc/56/37/67/931563767.db2.gz ADTNBNNWKQZQLI-ZDUSSCGKSA-N 1 2 271.364 1.990 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171116316 931574579 /nfs/dbraw/zinc/57/45/79/931574579.db2.gz NHZFXCXEBSBHSF-HUUCEWRRSA-N 1 2 275.783 1.995 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c[nH]c3nc(Cl)ccc23)CC1 ZINC001144416146 931805655 /nfs/dbraw/zinc/80/56/55/931805655.db2.gz ZINLWMWKDMTKBD-UHFFFAOYSA-N 1 2 288.782 1.967 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c(OC)cccc2OC)CC1 ZINC000243146181 937546618 /nfs/dbraw/zinc/54/66/18/937546618.db2.gz JLSOIDQKLPKSHN-UHFFFAOYSA-N 1 2 290.363 1.648 20 30 CDEDLO CC(=O)[C@@H]1C[N@H+]([C@H](C)Cc2cccc(C#N)c2)CCO1 ZINC001171231022 932061813 /nfs/dbraw/zinc/06/18/13/932061813.db2.gz GQDYOJAHBRLBRG-WBMJQRKESA-N 1 2 272.348 1.779 20 30 CDEDLO CC(=O)[C@@H]1C[N@@H+]([C@H](C)Cc2cccc(C#N)c2)CCO1 ZINC001171231022 932061822 /nfs/dbraw/zinc/06/18/22/932061822.db2.gz GQDYOJAHBRLBRG-WBMJQRKESA-N 1 2 272.348 1.779 20 30 CDEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)C)c1nccn12 ZINC001092349738 932936834 /nfs/dbraw/zinc/93/68/34/932936834.db2.gz LFZRTHNVHYMJFL-ZDUSSCGKSA-N 1 2 286.379 1.134 20 30 CDEDLO C=C[C@H](CC)CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000931641848 933600186 /nfs/dbraw/zinc/60/01/86/933600186.db2.gz VPASSJAMYXPHDT-CYBMUJFWSA-N 1 2 254.374 1.379 20 30 CDEDLO Cn1nnc2cc(C[N@@H+]3CCC[C@H](C#N)C3)ccc21 ZINC000932157957 933675322 /nfs/dbraw/zinc/67/53/22/933675322.db2.gz WJYSMEQPVUYQDA-GFCCVEGCSA-N 1 2 255.325 1.704 20 30 CDEDLO Cn1nnc2cc(C[N@H+]3CCC[C@H](C#N)C3)ccc21 ZINC000932157957 933675326 /nfs/dbraw/zinc/67/53/26/933675326.db2.gz WJYSMEQPVUYQDA-GFCCVEGCSA-N 1 2 255.325 1.704 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(OCC)no1)C2 ZINC001095772351 934399446 /nfs/dbraw/zinc/39/94/46/934399446.db2.gz QJGVKFLRWXDRMB-WOPDTQHZSA-N 1 2 289.335 1.042 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(OCC)no1)C2 ZINC001095772351 934399456 /nfs/dbraw/zinc/39/94/56/934399456.db2.gz QJGVKFLRWXDRMB-WOPDTQHZSA-N 1 2 289.335 1.042 20 30 CDEDLO C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)Nc1ccc(C#N)nc1 ZINC001119978275 937770349 /nfs/dbraw/zinc/77/03/49/937770349.db2.gz FLSQDWKCEFNEMF-LLVKDONJSA-N 1 2 298.350 1.178 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H]1CCC=CO1 ZINC000191055929 934546083 /nfs/dbraw/zinc/54/60/83/934546083.db2.gz PHTJRAYHNCXSIV-OAHLLOKOSA-N 1 2 279.384 1.227 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)[C@H](C)CO2 ZINC001038621774 935413676 /nfs/dbraw/zinc/41/36/76/935413676.db2.gz QBKVTLRLLQMKFI-TZMCWYRMSA-N 1 2 284.359 1.620 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)[C@H](C)CO2 ZINC001038621774 935413678 /nfs/dbraw/zinc/41/36/78/935413678.db2.gz QBKVTLRLLQMKFI-TZMCWYRMSA-N 1 2 284.359 1.620 20 30 CDEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2snnc2C(C)C)C1 ZINC001015888601 935592609 /nfs/dbraw/zinc/59/26/09/935592609.db2.gz FKPIZUSZAKPZAO-JTQLQIEISA-N 1 2 280.397 1.652 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2snnc2C(C)C)C1 ZINC001015888601 935592612 /nfs/dbraw/zinc/59/26/12/935592612.db2.gz FKPIZUSZAKPZAO-JTQLQIEISA-N 1 2 280.397 1.652 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1C ZINC001017525881 935642103 /nfs/dbraw/zinc/64/21/03/935642103.db2.gz ULBMNUATCUZWEH-OKILXGFUSA-N 1 2 269.348 1.312 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1C ZINC001017525881 935642104 /nfs/dbraw/zinc/64/21/04/935642104.db2.gz ULBMNUATCUZWEH-OKILXGFUSA-N 1 2 269.348 1.312 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2c1COCC2 ZINC001038332458 935740954 /nfs/dbraw/zinc/74/09/54/935740954.db2.gz NLRXKNODRAFTPQ-OAHLLOKOSA-N 1 2 298.386 1.587 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2c1COCC2 ZINC001038332458 935740955 /nfs/dbraw/zinc/74/09/55/935740955.db2.gz NLRXKNODRAFTPQ-OAHLLOKOSA-N 1 2 298.386 1.587 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ncccc1OCCC ZINC001038666300 935752989 /nfs/dbraw/zinc/75/29/89/935752989.db2.gz DLWJYKYHEJJIOG-ZDUSSCGKSA-N 1 2 287.363 1.308 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncccc1OCCC ZINC001038666300 935752990 /nfs/dbraw/zinc/75/29/90/935752990.db2.gz DLWJYKYHEJJIOG-ZDUSSCGKSA-N 1 2 287.363 1.308 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC001038733855 935755241 /nfs/dbraw/zinc/75/52/41/935755241.db2.gz BOQDALGWRTTYLH-LLVKDONJSA-N 1 2 284.319 1.107 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC001038733855 935755245 /nfs/dbraw/zinc/75/52/45/935755245.db2.gz BOQDALGWRTTYLH-LLVKDONJSA-N 1 2 284.319 1.107 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)ccc1F ZINC001038754162 935755651 /nfs/dbraw/zinc/75/56/51/935755651.db2.gz JVJNRESWIGIAHL-GFCCVEGCSA-N 1 2 260.312 1.571 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)ccc1F ZINC001038754162 935755655 /nfs/dbraw/zinc/75/56/55/935755655.db2.gz JVJNRESWIGIAHL-GFCCVEGCSA-N 1 2 260.312 1.571 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)nn(CC)c1Cl ZINC001039035046 935766067 /nfs/dbraw/zinc/76/60/67/935766067.db2.gz GUGKVIRGSFPPJA-LLVKDONJSA-N 1 2 294.786 1.302 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)nn(CC)c1Cl ZINC001039035046 935766069 /nfs/dbraw/zinc/76/60/69/935766069.db2.gz GUGKVIRGSFPPJA-LLVKDONJSA-N 1 2 294.786 1.302 20 30 CDEDLO CNC(=O)C[N@H+](C)Cc1ccc(Cl)c(C#N)c1 ZINC001238189208 945126143 /nfs/dbraw/zinc/12/61/43/945126143.db2.gz OLPYWDAZDVDUGG-UHFFFAOYSA-N 1 2 251.717 1.389 20 30 CDEDLO CNC(=O)C[N@@H+](C)Cc1ccc(Cl)c(C#N)c1 ZINC001238189208 945126147 /nfs/dbraw/zinc/12/61/47/945126147.db2.gz OLPYWDAZDVDUGG-UHFFFAOYSA-N 1 2 251.717 1.389 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)n[nH]1)C2 ZINC001096847981 936228107 /nfs/dbraw/zinc/22/81/07/936228107.db2.gz RUUCQYKETQEXOG-WZRBSPASSA-N 1 2 294.786 1.806 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)n[nH]1)C2 ZINC001096847981 936228110 /nfs/dbraw/zinc/22/81/10/936228110.db2.gz RUUCQYKETQEXOG-WZRBSPASSA-N 1 2 294.786 1.806 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(C)[nH]1)C2 ZINC001096887637 936232341 /nfs/dbraw/zinc/23/23/41/936232341.db2.gz OZRKLZJQNDUTGG-WZRBSPASSA-N 1 2 294.786 1.806 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(C)[nH]1)C2 ZINC001096887637 936232344 /nfs/dbraw/zinc/23/23/44/936232344.db2.gz OZRKLZJQNDUTGG-WZRBSPASSA-N 1 2 294.786 1.806 20 30 CDEDLO Cc1cc(N[C@H]2C[C@H](NC(=O)[C@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001097002920 936253515 /nfs/dbraw/zinc/25/35/15/936253515.db2.gz FNGZHBWGWAYUPE-OASPWFOLSA-N 1 2 299.378 1.881 20 30 CDEDLO C=C[C@](C)(O)C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC001120769821 937833903 /nfs/dbraw/zinc/83/39/03/937833903.db2.gz OQXHTKBIKHWHRR-HIFRSBDPSA-N 1 2 278.327 1.236 20 30 CDEDLO C=C(C)CN(C)c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1C ZINC001121428321 937871385 /nfs/dbraw/zinc/87/13/85/937871385.db2.gz QTCJHVNGQFUIQI-ZDUSSCGKSA-N 1 2 293.415 1.609 20 30 CDEDLO C=C(C)CN(C)c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1C ZINC001121428321 937871386 /nfs/dbraw/zinc/87/13/86/937871386.db2.gz QTCJHVNGQFUIQI-ZDUSSCGKSA-N 1 2 293.415 1.609 20 30 CDEDLO Cc1nc2ccc(F)cc2c(N2CC[NH2+]C[C@@H]2C#N)n1 ZINC001156319783 938351057 /nfs/dbraw/zinc/35/10/57/938351057.db2.gz FMDJXMJJLNXJNH-NSHDSACASA-N 1 2 271.299 1.379 20 30 CDEDLO C[Si](C)(C)C#Cc1ccnc(N2CC[NH2+]C[C@@H]2C#N)c1 ZINC001156332312 938352994 /nfs/dbraw/zinc/35/29/94/938352994.db2.gz IYAMXAYGSQRNEA-AWEZNQCLSA-N 1 2 284.439 1.612 20 30 CDEDLO N#Cc1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1 ZINC001158851486 938670472 /nfs/dbraw/zinc/67/04/72/938670472.db2.gz JCDXTVXFJABWDC-LBPRGKRZSA-N 1 2 252.277 1.109 20 30 CDEDLO N#CCc1ccc(NCCN2CCCCC2=O)[nH+]c1 ZINC001161935811 938944878 /nfs/dbraw/zinc/94/48/78/938944878.db2.gz NYCCHRDGJOXURF-UHFFFAOYSA-N 1 2 258.325 1.572 20 30 CDEDLO C=CCc1cc(C)c[nH+]c1NCCS(C)(=O)=O ZINC001162318791 939022946 /nfs/dbraw/zinc/02/29/46/939022946.db2.gz OJWUEBVKRKZPNU-UHFFFAOYSA-N 1 2 254.355 1.575 20 30 CDEDLO Cc1ccc(CC#N)c(N2CC[NH2+]CC(F)(F)C2)n1 ZINC001164497108 939479601 /nfs/dbraw/zinc/47/96/01/939479601.db2.gz DHRNGDUMCCJQGP-UHFFFAOYSA-N 1 2 266.295 1.501 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1nccc2ccc(F)cc21 ZINC001164652577 939502458 /nfs/dbraw/zinc/50/24/58/939502458.db2.gz RZTXEKVXCSVZBW-LBPRGKRZSA-N 1 2 256.284 1.676 20 30 CDEDLO CC1CCN(c2ccc(N3CC[NH2+]C[C@H]3C#N)nn2)CC1 ZINC001164662466 939502982 /nfs/dbraw/zinc/50/29/82/939502982.db2.gz YFZVCRMPEOQGCK-CYBMUJFWSA-N 1 2 286.383 1.015 20 30 CDEDLO O=C1C=C2C[N@H+](Cc3ccc(O)c(O)c3)CC[C@H]2S1 ZINC001203877942 939711222 /nfs/dbraw/zinc/71/12/22/939711222.db2.gz LTBBBTIWXTWKGF-CYBMUJFWSA-N 1 2 277.345 1.872 20 30 CDEDLO O=C1C=C2C[N@@H+](Cc3ccc(O)c(O)c3)CC[C@H]2S1 ZINC001203877942 939711224 /nfs/dbraw/zinc/71/12/24/939711224.db2.gz LTBBBTIWXTWKGF-CYBMUJFWSA-N 1 2 277.345 1.872 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)o2)C[C@H]1C ZINC001206491104 940049408 /nfs/dbraw/zinc/04/94/08/940049408.db2.gz YPRNKABCKCZNML-DGCLKSJQSA-N 1 2 277.368 1.886 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ncc(C)o2)C[C@H]1C ZINC001206491104 940049410 /nfs/dbraw/zinc/04/94/10/940049410.db2.gz YPRNKABCKCZNML-DGCLKSJQSA-N 1 2 277.368 1.886 20 30 CDEDLO Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)o1 ZINC001206938282 940114950 /nfs/dbraw/zinc/11/49/50/940114950.db2.gz PMNZTKWSYBSKSN-TZMCWYRMSA-N 1 2 289.379 1.579 20 30 CDEDLO Cc1cnc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)o1 ZINC001206938282 940114951 /nfs/dbraw/zinc/11/49/51/940114951.db2.gz PMNZTKWSYBSKSN-TZMCWYRMSA-N 1 2 289.379 1.579 20 30 CDEDLO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001207030443 940132588 /nfs/dbraw/zinc/13/25/88/940132588.db2.gz XUMMKTDINZSYRS-BBBLOLIVSA-N 1 2 282.281 1.899 20 30 CDEDLO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001207030443 940132589 /nfs/dbraw/zinc/13/25/89/940132589.db2.gz XUMMKTDINZSYRS-BBBLOLIVSA-N 1 2 282.281 1.899 20 30 CDEDLO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001207030443 940132590 /nfs/dbraw/zinc/13/25/90/940132590.db2.gz XUMMKTDINZSYRS-BBBLOLIVSA-N 1 2 282.281 1.899 20 30 CDEDLO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001207030443 940132592 /nfs/dbraw/zinc/13/25/92/940132592.db2.gz XUMMKTDINZSYRS-BBBLOLIVSA-N 1 2 282.281 1.899 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2c(C)noc2C)CC1 ZINC001207139455 940156236 /nfs/dbraw/zinc/15/62/36/940156236.db2.gz GBZBXRLWLJNTQD-UHFFFAOYSA-N 1 2 277.324 1.570 20 30 CDEDLO Cc1ncccc1C[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001207155541 940159507 /nfs/dbraw/zinc/15/95/07/940159507.db2.gz YFYSTGBTRIMFGK-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO C=CCCC(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001207635500 940224490 /nfs/dbraw/zinc/22/44/90/940224490.db2.gz LERVYUQORQOPBJ-GFCCVEGCSA-N 1 2 278.356 1.425 20 30 CDEDLO C#CCCCC(=O)N1CCC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001207944903 940267373 /nfs/dbraw/zinc/26/73/73/940267373.db2.gz VYLYFTRJJCTDDL-GFCCVEGCSA-N 1 2 292.408 1.422 20 30 CDEDLO COC(=O)[C@H]1CC[C@H](C[NH+]2CC(C)(C#N)C2)CC1 ZINC001208623938 940360387 /nfs/dbraw/zinc/36/03/87/940360387.db2.gz GINBTDZOSXMOKE-HAQNSBGRSA-N 1 2 250.342 1.811 20 30 CDEDLO C=CCN(CC[N@H+](C)Cc1cnccn1)C(=O)OCC ZINC001209021891 940425059 /nfs/dbraw/zinc/42/50/59/940425059.db2.gz FYBYPGBWQIHGOJ-UHFFFAOYSA-N 1 2 278.356 1.553 20 30 CDEDLO C=CCN(CC[N@@H+](C)Cc1cnccn1)C(=O)OCC ZINC001209021891 940425061 /nfs/dbraw/zinc/42/50/61/940425061.db2.gz FYBYPGBWQIHGOJ-UHFFFAOYSA-N 1 2 278.356 1.553 20 30 CDEDLO CC(C)C#CC(=O)N1CCO[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]21 ZINC001217840668 941022973 /nfs/dbraw/zinc/02/29/73/941022973.db2.gz ZZVNCZGBUYZLTH-VTUYONSCSA-N 1 2 296.798 1.310 20 30 CDEDLO CC(C)C#CC(=O)N1CCO[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]21 ZINC001217840668 941022976 /nfs/dbraw/zinc/02/29/76/941022976.db2.gz ZZVNCZGBUYZLTH-VTUYONSCSA-N 1 2 296.798 1.310 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cnc(C(F)F)nc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225424515 941856207 /nfs/dbraw/zinc/85/62/07/941856207.db2.gz QCNDIMNHVRDUFJ-FRQULTQSSA-N 1 2 283.278 1.405 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cnc(C(F)F)nc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225424515 941856211 /nfs/dbraw/zinc/85/62/11/941856211.db2.gz QCNDIMNHVRDUFJ-FRQULTQSSA-N 1 2 283.278 1.405 20 30 CDEDLO COc1ccc(C#N)cc1O[C@H](C)C[NH+]1CCOCC1 ZINC001225684245 941900341 /nfs/dbraw/zinc/90/03/41/941900341.db2.gz NLNNSPAEUAQJJJ-GFCCVEGCSA-N 1 2 276.336 1.666 20 30 CDEDLO COc1ccc(O[C@@H](C)C[NH+]2CCOCC2)c(C#N)c1 ZINC001228117963 942270928 /nfs/dbraw/zinc/27/09/28/942270928.db2.gz TYMXRZMUQNPMPB-LBPRGKRZSA-N 1 2 276.336 1.666 20 30 CDEDLO CCc1occc(=O)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001228356468 942304508 /nfs/dbraw/zinc/30/45/08/942304508.db2.gz KNANROGQLBHSFK-OTDFPYDRSA-N 1 2 277.320 1.193 20 30 CDEDLO CCc1occc(=O)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001228356468 942304513 /nfs/dbraw/zinc/30/45/13/942304513.db2.gz KNANROGQLBHSFK-OTDFPYDRSA-N 1 2 277.320 1.193 20 30 CDEDLO COc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cnc1F ZINC001228522945 942330926 /nfs/dbraw/zinc/33/09/26/942330926.db2.gz UCTHWUMKXXCKEX-PINQPDRWSA-N 1 2 280.299 1.221 20 30 CDEDLO COc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cnc1F ZINC001228522945 942330929 /nfs/dbraw/zinc/33/09/29/942330929.db2.gz UCTHWUMKXXCKEX-PINQPDRWSA-N 1 2 280.299 1.221 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2cc([N+](=O)[O-])ccc2C#N)C1 ZINC001228926646 942395270 /nfs/dbraw/zinc/39/52/70/942395270.db2.gz NUOGSCIPTIFUGI-GFCCVEGCSA-N 1 2 277.280 1.176 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2cc([N+](=O)[O-])ccc2C#N)C1 ZINC001228926646 942395273 /nfs/dbraw/zinc/39/52/73/942395273.db2.gz NUOGSCIPTIFUGI-GFCCVEGCSA-N 1 2 277.280 1.176 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)CSC ZINC001231234540 942826210 /nfs/dbraw/zinc/82/62/10/942826210.db2.gz UJNVCMWBHJWHFH-KBPBESRZSA-N 1 2 298.452 1.168 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)CSC ZINC001231234540 942826216 /nfs/dbraw/zinc/82/62/16/942826216.db2.gz UJNVCMWBHJWHFH-KBPBESRZSA-N 1 2 298.452 1.168 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cncs1 ZINC001231292229 942845723 /nfs/dbraw/zinc/84/57/23/942845723.db2.gz BOYCZLQCIUQOEP-WDEREUQCSA-N 1 2 278.381 1.335 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cncs1 ZINC001231292229 942845727 /nfs/dbraw/zinc/84/57/27/942845727.db2.gz BOYCZLQCIUQOEP-WDEREUQCSA-N 1 2 278.381 1.335 20 30 CDEDLO N#CC1(NC(=O)[C@H]2CC23C[NH+](Cc2cnco2)C3)CCC1 ZINC001277552937 942980735 /nfs/dbraw/zinc/98/07/35/942980735.db2.gz GKYRJCVGCVKDLV-GFCCVEGCSA-N 1 2 286.335 1.059 20 30 CDEDLO CC1(C)C[N@@H+](C2CN(Cc3cc(C#N)ccn3)C2)CCO1 ZINC001232479816 943292858 /nfs/dbraw/zinc/29/28/58/943292858.db2.gz ZWZAMIMEBMTKEJ-UHFFFAOYSA-N 1 2 286.379 1.248 20 30 CDEDLO CC1(C)C[N@H+](C2CN(Cc3cc(C#N)ccn3)C2)CCO1 ZINC001232479816 943292860 /nfs/dbraw/zinc/29/28/60/943292860.db2.gz ZWZAMIMEBMTKEJ-UHFFFAOYSA-N 1 2 286.379 1.248 20 30 CDEDLO CC(=O)N1CCC2(C[NH+](Cc3cc(C#N)ccn3)C2)C1 ZINC001232478737 943292913 /nfs/dbraw/zinc/29/29/13/943292913.db2.gz OZLOCFIHWYVDIP-UHFFFAOYSA-N 1 2 270.336 1.007 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)c1csc(C#N)c1 ZINC001362176143 970979874 /nfs/dbraw/zinc/97/98/74/970979874.db2.gz HRIIPOZUNYCZOY-UHFFFAOYSA-N 1 2 274.349 1.979 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2C[C@H](F)C[C@H](CO)C2)c1 ZINC001232674186 943357413 /nfs/dbraw/zinc/35/74/13/943357413.db2.gz SPTXVKZBAXQPMF-WCQYABFASA-N 1 2 264.300 1.416 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)c1 ZINC001232674186 943357420 /nfs/dbraw/zinc/35/74/20/943357420.db2.gz SPTXVKZBAXQPMF-WCQYABFASA-N 1 2 264.300 1.416 20 30 CDEDLO C[C@@H]1C[N@H+](C2CN(Cc3[nH]ccc3C#N)C2)C[C@H](C)O1 ZINC001233048293 943476059 /nfs/dbraw/zinc/47/60/59/943476059.db2.gz ANOIXVHMVISTFY-TXEJJXNPSA-N 1 2 274.368 1.180 20 30 CDEDLO C[C@@H]1C[N@@H+](C2CN(Cc3[nH]ccc3C#N)C2)C[C@H](C)O1 ZINC001233048293 943476061 /nfs/dbraw/zinc/47/60/61/943476061.db2.gz ANOIXVHMVISTFY-TXEJJXNPSA-N 1 2 274.368 1.180 20 30 CDEDLO COC(=O)C[C@@H]1CCC[N@H+](Cc2[nH]ccc2C#N)C1 ZINC001233048103 943476572 /nfs/dbraw/zinc/47/65/72/943476572.db2.gz VYHPCWBMGLKGEA-NSHDSACASA-N 1 2 261.325 1.661 20 30 CDEDLO COC(=O)C[C@@H]1CCC[N@@H+](Cc2[nH]ccc2C#N)C1 ZINC001233048103 943476578 /nfs/dbraw/zinc/47/65/78/943476578.db2.gz VYHPCWBMGLKGEA-NSHDSACASA-N 1 2 261.325 1.661 20 30 CDEDLO CS(=O)(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC001233267614 943525198 /nfs/dbraw/zinc/52/51/98/943525198.db2.gz ANFGFLGKQALHGO-ZDUSSCGKSA-N 1 2 293.392 1.794 20 30 CDEDLO CS(=O)(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC001233267614 943525201 /nfs/dbraw/zinc/52/52/01/943525201.db2.gz ANFGFLGKQALHGO-ZDUSSCGKSA-N 1 2 293.392 1.794 20 30 CDEDLO CC[N@H+](Cc1ccc(C#N)cc1O)[C@@H](C)C(=O)OC ZINC001233388052 943572545 /nfs/dbraw/zinc/57/25/45/943572545.db2.gz JJRMVSNGEIPJTF-JTQLQIEISA-N 1 2 262.309 1.647 20 30 CDEDLO CC[N@@H+](Cc1ccc(C#N)cc1O)[C@@H](C)C(=O)OC ZINC001233388052 943572548 /nfs/dbraw/zinc/57/25/48/943572548.db2.gz JJRMVSNGEIPJTF-JTQLQIEISA-N 1 2 262.309 1.647 20 30 CDEDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccc(C#N)cc1O ZINC001233387859 943573179 /nfs/dbraw/zinc/57/31/79/943573179.db2.gz BJGAFWBOWALEMW-OSAQELSMSA-N 1 2 286.331 1.790 20 30 CDEDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1ccc(C#N)cc1O ZINC001233387859 943573181 /nfs/dbraw/zinc/57/31/81/943573181.db2.gz BJGAFWBOWALEMW-OSAQELSMSA-N 1 2 286.331 1.790 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC)SC ZINC001233691427 943641461 /nfs/dbraw/zinc/64/14/61/943641461.db2.gz AWCODRLQSXHEAN-VXGBXAGGSA-N 1 2 254.399 1.294 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC)SC ZINC001233691427 943641465 /nfs/dbraw/zinc/64/14/65/943641465.db2.gz AWCODRLQSXHEAN-VXGBXAGGSA-N 1 2 254.399 1.294 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(OC)c(N)c2)CC1 ZINC000384741431 944040900 /nfs/dbraw/zinc/04/09/00/944040900.db2.gz FJARYEHADGLGPY-UHFFFAOYSA-N 1 2 259.353 1.028 20 30 CDEDLO CC1=CCC=C[C@H]1C(=O)N1C[C@@H]2CC[N@H+](CCC#N)[C@@H]2C1 ZINC001277936691 944117642 /nfs/dbraw/zinc/11/76/42/944117642.db2.gz OCUHZHNXWYNDCI-ARFHVFGLSA-N 1 2 285.391 1.955 20 30 CDEDLO CC1=CCC=C[C@H]1C(=O)N1C[C@@H]2CC[N@@H+](CCC#N)[C@@H]2C1 ZINC001277936691 944117645 /nfs/dbraw/zinc/11/76/45/944117645.db2.gz OCUHZHNXWYNDCI-ARFHVFGLSA-N 1 2 285.391 1.955 20 30 CDEDLO N#Cc1ccc(CCC[N@@H+]2CCn3cnc(CO)c3C2)cc1 ZINC001235504559 944179096 /nfs/dbraw/zinc/17/90/96/944179096.db2.gz OCMVQUTZDRSKPD-UHFFFAOYSA-N 1 2 296.374 1.695 20 30 CDEDLO N#Cc1ccc(CCC[N@H+]2CCn3cnc(CO)c3C2)cc1 ZINC001235504559 944179103 /nfs/dbraw/zinc/17/91/03/944179103.db2.gz OCMVQUTZDRSKPD-UHFFFAOYSA-N 1 2 296.374 1.695 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cccc(C(=O)OCC)n2)CC1 ZINC001236652666 944537987 /nfs/dbraw/zinc/53/79/87/944537987.db2.gz PTOYMEKYPIXVHK-UHFFFAOYSA-N 1 2 287.363 1.009 20 30 CDEDLO N#Cc1cc(C[NH+]2CC3(C2)C[C@@H](F)CS3)ccn1 ZINC001237467618 944797582 /nfs/dbraw/zinc/79/75/82/944797582.db2.gz YPQAHIQQFZKJRG-LLVKDONJSA-N 1 2 263.341 1.983 20 30 CDEDLO C=CCC[C@H](C)n1cnc(C[C@@H]([NH3+])C(=O)OC)c1 ZINC001258725989 945393865 /nfs/dbraw/zinc/39/38/65/945393865.db2.gz PDGGAVPSRUMGQU-CMPLNLGQSA-N 1 2 251.330 1.453 20 30 CDEDLO C=CCS(=O)(=O)NCc1c[nH+]cn1C1CCC1 ZINC001259936472 945725976 /nfs/dbraw/zinc/72/59/76/945725976.db2.gz ZAYRYELQAZXPSM-UHFFFAOYSA-N 1 2 255.343 1.214 20 30 CDEDLO COC(=O)[C@@H]([NH3+])c1ccc(-c2ccnc(C#N)c2)cc1 ZINC001241195995 946189831 /nfs/dbraw/zinc/18/98/31/946189831.db2.gz OTYKDSYZZBKKEA-AWEZNQCLSA-N 1 2 267.288 1.793 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CCC(N)=O)cc1 ZINC001262152973 946469672 /nfs/dbraw/zinc/46/96/72/946469672.db2.gz NHXZZFDOTUJHEF-HNNXBMFYSA-N 1 2 299.374 1.141 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CCC(N)=O)cc1 ZINC001262152973 946469675 /nfs/dbraw/zinc/46/96/75/946469675.db2.gz NHXZZFDOTUJHEF-HNNXBMFYSA-N 1 2 299.374 1.141 20 30 CDEDLO COC(=O)[C@H](CS)[NH2+]C1CCC(F)(F)CC1 ZINC001254208182 947328434 /nfs/dbraw/zinc/32/84/34/947328434.db2.gz JHXLIPBPNVASKQ-QMMMGPOBSA-N 1 2 253.314 1.625 20 30 CDEDLO CC[C@H](CC#N)N1CC[NH+](Cc2ccncc2)CC1 ZINC001255171936 947764410 /nfs/dbraw/zinc/76/44/10/947764410.db2.gz FHWRWNROHROPPQ-OAHLLOKOSA-N 1 2 258.369 1.891 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@@H](Oc2ncc(C)cn2)C1 ZINC001255177385 947768096 /nfs/dbraw/zinc/76/80/96/947768096.db2.gz QQVAMKUUNAOJEX-QWHCGFSZSA-N 1 2 260.341 1.930 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CC[C@@H](Oc2ncc(C)cn2)C1 ZINC001255177385 947768101 /nfs/dbraw/zinc/76/81/01/947768101.db2.gz QQVAMKUUNAOJEX-QWHCGFSZSA-N 1 2 260.341 1.930 20 30 CDEDLO C=CCOc1ccc(-c2noc([C@@H]([NH3+])CO)n2)c(F)c1 ZINC001247608133 948676616 /nfs/dbraw/zinc/67/66/16/948676616.db2.gz IQCCAWIDRZNQOP-NSHDSACASA-N 1 2 279.271 1.433 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(C#N)cc2CC)CC1 ZINC001248751603 949122429 /nfs/dbraw/zinc/12/24/29/949122429.db2.gz CFCLYUUGURRUMR-UHFFFAOYSA-N 1 2 267.376 1.871 20 30 CDEDLO CCc1cc(C#N)ccc1C[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC001248752549 949129483 /nfs/dbraw/zinc/12/94/83/949129483.db2.gz PZKDYCGTTOEJBT-LBPRGKRZSA-N 1 2 271.364 1.783 20 30 CDEDLO CCc1cc(C#N)ccc1C[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC001248752549 949129502 /nfs/dbraw/zinc/12/95/02/949129502.db2.gz PZKDYCGTTOEJBT-LBPRGKRZSA-N 1 2 271.364 1.783 20 30 CDEDLO N#C[C@H]1CC[N@@H+](C[C@H](O)COc2cccc(F)c2)C1 ZINC001250809052 950392650 /nfs/dbraw/zinc/39/26/50/950392650.db2.gz MUASVACZPWGJBT-YPMHNXCESA-N 1 2 264.300 1.411 20 30 CDEDLO N#C[C@H]1CC[N@H+](C[C@H](O)COc2cccc(F)c2)C1 ZINC001250809052 950392672 /nfs/dbraw/zinc/39/26/72/950392672.db2.gz MUASVACZPWGJBT-YPMHNXCESA-N 1 2 264.300 1.411 20 30 CDEDLO C=CCOC[C@@H](O)CNc1c(C)cc[nH+]c1CC ZINC001252460184 951302656 /nfs/dbraw/zinc/30/26/56/951302656.db2.gz BSFXIBQUMIDJMG-LBPRGKRZSA-N 1 2 250.342 1.928 20 30 CDEDLO C=CCOC[C@H](O)CNc1c(C)cc[nH+]c1CC ZINC001252460183 951303486 /nfs/dbraw/zinc/30/34/86/951303486.db2.gz BSFXIBQUMIDJMG-GFCCVEGCSA-N 1 2 250.342 1.928 20 30 CDEDLO C=CCOC[C@@H](O)C[N@@H+](C)CC(=O)OCc1ccccc1 ZINC001252472780 951328751 /nfs/dbraw/zinc/32/87/51/951328751.db2.gz YZIGEXOUVLUJIR-HNNXBMFYSA-N 1 2 293.363 1.225 20 30 CDEDLO C=CCOC[C@@H](O)C[N@H+](C)CC(=O)OCc1ccccc1 ZINC001252472780 951328762 /nfs/dbraw/zinc/32/87/62/951328762.db2.gz YZIGEXOUVLUJIR-HNNXBMFYSA-N 1 2 293.363 1.225 20 30 CDEDLO C=C[C@H](O)C[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC001253585214 951975349 /nfs/dbraw/zinc/97/53/49/951975349.db2.gz ASNPGNIHPYHTDR-KBPBESRZSA-N 1 2 251.301 1.746 20 30 CDEDLO C=C[C@H](O)C[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC001253585214 951975357 /nfs/dbraw/zinc/97/53/57/951975357.db2.gz ASNPGNIHPYHTDR-KBPBESRZSA-N 1 2 251.301 1.746 20 30 CDEDLO Cn1cc[nH+]c1NN=Cc1ccc([S@@](C)=O)cc1 ZINC001324431215 953387060 /nfs/dbraw/zinc/38/70/60/953387060.db2.gz IDQYSXJAMJJROR-GOSISDBHSA-N 1 2 262.338 1.604 20 30 CDEDLO C[C@@H](C(=O)N1CCc2ccc(C#N)cc21)n1cc[nH+]c1 ZINC001324469849 953404309 /nfs/dbraw/zinc/40/43/09/953404309.db2.gz VIWBYFWLEXTOLE-NSHDSACASA-N 1 2 266.304 1.905 20 30 CDEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1ccc(F)cc1F ZINC001324516471 953424201 /nfs/dbraw/zinc/42/42/01/953424201.db2.gz OSLBZDZENBCHJR-UHFFFAOYSA-N 1 2 282.290 1.485 20 30 CDEDLO C#CCOCC[N@H+](C)CC(=O)Nc1ccc(F)cc1F ZINC001324516471 953424212 /nfs/dbraw/zinc/42/42/12/953424212.db2.gz OSLBZDZENBCHJR-UHFFFAOYSA-N 1 2 282.290 1.485 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)OCCc1c[nH+]cn1C ZINC001324704397 953532758 /nfs/dbraw/zinc/53/27/58/953532758.db2.gz XHDZOSYMVVKEOT-UHFFFAOYSA-N 1 2 269.304 2.000 20 30 CDEDLO COC(=O)[C@]1(C)CCC[N@@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001364383195 954528971 /nfs/dbraw/zinc/52/89/71/954528971.db2.gz RSARONWFJYQMAK-ZBFHGGJFSA-N 1 2 288.347 1.619 20 30 CDEDLO COC(=O)[C@]1(C)CCC[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001364383195 954528979 /nfs/dbraw/zinc/52/89/79/954528979.db2.gz RSARONWFJYQMAK-ZBFHGGJFSA-N 1 2 288.347 1.619 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)COC)C1 ZINC001493935250 972140231 /nfs/dbraw/zinc/14/02/31/972140231.db2.gz ORBMTQCGGJODGY-GFCCVEGCSA-N 1 2 274.792 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)COC)C1 ZINC001493935250 972140234 /nfs/dbraw/zinc/14/02/34/972140234.db2.gz ORBMTQCGGJODGY-GFCCVEGCSA-N 1 2 274.792 1.698 20 30 CDEDLO N#Cc1cc(NCc2[nH]c3c([nH+]2)CCCC3)ccn1 ZINC001307219232 956381187 /nfs/dbraw/zinc/38/11/87/956381187.db2.gz VQJSFQWBTYVIPA-UHFFFAOYSA-N 1 2 253.309 1.589 20 30 CDEDLO C=CCC[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001339280746 956397538 /nfs/dbraw/zinc/39/75/38/956397538.db2.gz MKPNIJUTBYPMRU-STQMWFEESA-N 1 2 252.358 1.274 20 30 CDEDLO C=CCC[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001339280746 956397551 /nfs/dbraw/zinc/39/75/51/956397551.db2.gz MKPNIJUTBYPMRU-STQMWFEESA-N 1 2 252.358 1.274 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1n[nH]cc1Br ZINC001308770864 956579066 /nfs/dbraw/zinc/57/90/66/956579066.db2.gz XUEWDNHTGZJMCK-SCZZXKLOSA-N 1 2 272.146 1.605 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)COC ZINC001424976041 957431149 /nfs/dbraw/zinc/43/11/49/957431149.db2.gz AMVOTBVSKWZZCP-NSHDSACASA-N 1 2 276.808 1.848 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)COC ZINC001424976041 957431152 /nfs/dbraw/zinc/43/11/52/957431152.db2.gz AMVOTBVSKWZZCP-NSHDSACASA-N 1 2 276.808 1.848 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCn1cc(C)cn1 ZINC001425076673 957464493 /nfs/dbraw/zinc/46/44/93/957464493.db2.gz XMDWPZNOZBEKIL-ZDUSSCGKSA-N 1 2 298.818 1.771 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCn1cc(C)cn1 ZINC001425076673 957464497 /nfs/dbraw/zinc/46/44/97/957464497.db2.gz XMDWPZNOZBEKIL-ZDUSSCGKSA-N 1 2 298.818 1.771 20 30 CDEDLO C=CC[C@@H]([NH2+]C1CCC(NC(C)=O)CC1)C(=O)OCC ZINC001321150280 959618793 /nfs/dbraw/zinc/61/87/93/959618793.db2.gz UJCQXBFRZWDOOG-JXQTWKCFSA-N 1 2 282.384 1.531 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001321173724 959633292 /nfs/dbraw/zinc/63/32/92/959633292.db2.gz WRHKKPKORPVFEL-AVGNSLFASA-N 1 2 263.341 1.542 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1coc(CC)n1 ZINC001437454898 962915191 /nfs/dbraw/zinc/91/51/91/962915191.db2.gz XWFFJRUEDLOQIS-UHFFFAOYSA-N 1 2 271.748 1.651 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1coc(CC)n1 ZINC001437454898 962915203 /nfs/dbraw/zinc/91/52/03/962915203.db2.gz XWFFJRUEDLOQIS-UHFFFAOYSA-N 1 2 271.748 1.651 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2(C)CCOCC2)C1 ZINC001421176334 963485181 /nfs/dbraw/zinc/48/51/81/963485181.db2.gz XZTYWEOLNWTZDU-UHFFFAOYSA-N 1 2 286.803 1.604 20 30 CDEDLO CCOc1ccc(C#N)cc1NC(=O)Cc1c[nH+]cn1C ZINC001442179440 964899380 /nfs/dbraw/zinc/89/93/80/964899380.db2.gz CAIANMDRENWPST-UHFFFAOYSA-N 1 2 284.319 1.872 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[NH2+]CC(F)(F)C(F)F ZINC001346327194 965046910 /nfs/dbraw/zinc/04/69/10/965046910.db2.gz WATILRVFWOAEGL-SSDOTTSWSA-N 1 2 256.243 1.777 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1nocc1C ZINC001442744044 965197247 /nfs/dbraw/zinc/19/72/47/965197247.db2.gz YCIUZUHMINDKHE-UHFFFAOYSA-N 1 2 271.748 1.787 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1nocc1C ZINC001442744044 965197253 /nfs/dbraw/zinc/19/72/53/965197253.db2.gz YCIUZUHMINDKHE-UHFFFAOYSA-N 1 2 271.748 1.787 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001442994219 965313368 /nfs/dbraw/zinc/31/33/68/965313368.db2.gz HGAMOZPTVHXWBP-UHFFFAOYSA-N 1 2 292.770 1.833 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001442994219 965313378 /nfs/dbraw/zinc/31/33/78/965313378.db2.gz HGAMOZPTVHXWBP-UHFFFAOYSA-N 1 2 292.770 1.833 20 30 CDEDLO CO[C@@H](C)C(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001444950629 966017702 /nfs/dbraw/zinc/01/77/02/966017702.db2.gz KAACECDPTNKQFO-ZDUSSCGKSA-N 1 2 289.379 1.483 20 30 CDEDLO CO[C@@H](C)C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001444950629 966017717 /nfs/dbraw/zinc/01/77/17/966017717.db2.gz KAACECDPTNKQFO-ZDUSSCGKSA-N 1 2 289.379 1.483 20 30 CDEDLO CCn1ccnc1[C@@H](C#N)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001349701805 966439192 /nfs/dbraw/zinc/43/91/92/966439192.db2.gz JPPIPEYISGZDSP-NWDGAFQWSA-N 1 2 262.357 1.665 20 30 CDEDLO C=CCO[C@@H](C)C(=O)NCCN(CC)c1cc[nH+]c(C)n1 ZINC001100552086 968692578 /nfs/dbraw/zinc/69/25/78/968692578.db2.gz HLRKYACQTJQVFY-LBPRGKRZSA-N 1 2 292.383 1.319 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)c1ncc(C#N)cc1Cl ZINC001455620598 968752396 /nfs/dbraw/zinc/75/23/96/968752396.db2.gz DZICXANJAIGMBO-UHFFFAOYSA-N 1 2 289.726 1.313 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@H]1CCCCO1 ZINC001371943615 972705408 /nfs/dbraw/zinc/70/54/08/972705408.db2.gz HBLGCRJGXWROSN-GFCCVEGCSA-N 1 2 274.792 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@H]1CCCCO1 ZINC001371943615 972705419 /nfs/dbraw/zinc/70/54/19/972705419.db2.gz HBLGCRJGXWROSN-GFCCVEGCSA-N 1 2 274.792 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cnsn1 ZINC001374467001 973964542 /nfs/dbraw/zinc/96/45/42/973964542.db2.gz IAHAZOUCHJWXMQ-UHFFFAOYSA-N 1 2 274.777 1.294 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cnsn1 ZINC001374467001 973964551 /nfs/dbraw/zinc/96/45/51/973964551.db2.gz IAHAZOUCHJWXMQ-UHFFFAOYSA-N 1 2 274.777 1.294 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC(F)(F)F)C1 ZINC001376124979 974571339 /nfs/dbraw/zinc/57/13/39/974571339.db2.gz XMAYTRWSONXMRK-QMMMGPOBSA-N 1 2 270.682 1.882 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC(F)(F)F)C1 ZINC001376124979 974571341 /nfs/dbraw/zinc/57/13/41/974571341.db2.gz XMAYTRWSONXMRK-QMMMGPOBSA-N 1 2 270.682 1.882 20 30 CDEDLO Cc1nc(C[N@@H+](C)CCN(C)C(=O)[C@H](C)C#N)c(C)s1 ZINC001401356733 975609697 /nfs/dbraw/zinc/60/96/97/975609697.db2.gz DTGCSFWDAACXMR-SNVBAGLBSA-N 1 2 294.424 1.810 20 30 CDEDLO Cc1nc(C[N@H+](C)CCN(C)C(=O)[C@H](C)C#N)c(C)s1 ZINC001401356733 975609702 /nfs/dbraw/zinc/60/97/02/975609702.db2.gz DTGCSFWDAACXMR-SNVBAGLBSA-N 1 2 294.424 1.810 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH]cn1 ZINC001401773005 975894597 /nfs/dbraw/zinc/89/45/97/975894597.db2.gz BQAFUNIFSYNMAF-JTQLQIEISA-N 1 2 270.764 1.141 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH]cn1 ZINC001401773005 975894608 /nfs/dbraw/zinc/89/46/08/975894608.db2.gz BQAFUNIFSYNMAF-JTQLQIEISA-N 1 2 270.764 1.141 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](Nc2ccc(C(=O)[O-])c(C)[nH+]2)C1 ZINC001588476652 983512345 /nfs/dbraw/zinc/51/23/45/983512345.db2.gz GDGJRJZUFOOHJW-LBPRGKRZSA-N 1 2 273.336 1.598 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](Nc2ccc(C(=O)[O-])c(C)[nH+]2)C1 ZINC001588476652 983512348 /nfs/dbraw/zinc/51/23/48/983512348.db2.gz GDGJRJZUFOOHJW-LBPRGKRZSA-N 1 2 273.336 1.598 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+][C@@H](C)c1nnc(CC)o1 ZINC001132395518 1163265808 /nfs/dbraw/zinc/26/58/08/1163265808.db2.gz DSCMDRLVTQYXDN-JTQLQIEISA-N 1 2 280.372 1.611 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001132577291 1163383868 /nfs/dbraw/zinc/38/38/68/1163383868.db2.gz RWJJIQQLXCHIKQ-WDEREUQCSA-N 1 2 280.372 1.296 20 30 CDEDLO CC#CCCCC(=O)NCC[NH2+][C@@H](C)c1nc(CC)no1 ZINC001132602317 1163388468 /nfs/dbraw/zinc/38/84/68/1163388468.db2.gz ZYAFDQCLWGOMEU-LBPRGKRZSA-N 1 2 292.383 1.592 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001133158009 1163587706 /nfs/dbraw/zinc/58/77/06/1163587706.db2.gz WQVRNLRDFPTITK-JTQLQIEISA-N 1 2 266.345 1.501 20 30 CDEDLO O=C([C@@H]1COCC[NH2+]1)N(O)Cc1ccccc1Cl ZINC001574293113 1170942411 /nfs/dbraw/zinc/94/24/11/1170942411.db2.gz UUWKRFCTIYSUKX-NSHDSACASA-N 1 2 270.716 1.046 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1c[nH]nn1 ZINC001575078189 1171105933 /nfs/dbraw/zinc/10/59/33/1171105933.db2.gz HEZWYIHWQNYCSG-NEPJUHHUSA-N 1 2 293.415 1.780 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cn[nH]n1 ZINC001575078189 1171105939 /nfs/dbraw/zinc/10/59/39/1171105939.db2.gz HEZWYIHWQNYCSG-NEPJUHHUSA-N 1 2 293.415 1.780 20 30 CDEDLO CN(C)c1cc(NC(=O)c2cc(O)cc(C#N)c2)cc[nH+]1 ZINC000589190000 342499266 /nfs/dbraw/zinc/49/92/66/342499266.db2.gz ILFVZKCSZAICFR-UHFFFAOYSA-N 1 2 282.303 1.977 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(S(N)(=O)=O)cc1 ZINC000589308268 342503651 /nfs/dbraw/zinc/50/36/51/342503651.db2.gz AJCDXIZCNMAQHQ-JTQLQIEISA-N 1 2 267.354 1.068 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(S(N)(=O)=O)cc1 ZINC000589308268 342503652 /nfs/dbraw/zinc/50/36/52/342503652.db2.gz AJCDXIZCNMAQHQ-JTQLQIEISA-N 1 2 267.354 1.068 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000589826943 342514859 /nfs/dbraw/zinc/51/48/59/342514859.db2.gz IBBOIKYPQQCFQT-MRXNPFEDSA-N 1 2 298.346 1.514 20 30 CDEDLO COc1ncccc1C[NH+]1CCN(CCC#N)CC1 ZINC000618752729 349522250 /nfs/dbraw/zinc/52/22/50/349522250.db2.gz WHVFRODICRPOAJ-UHFFFAOYSA-N 1 2 260.341 1.121 20 30 CDEDLO N#Cc1nc(NCc2ccc(N)[nH+]c2)sc1Cl ZINC000590584666 342576838 /nfs/dbraw/zinc/57/68/38/342576838.db2.gz UPFWYTHSKDPFLC-UHFFFAOYSA-N 1 2 265.729 1.510 20 30 CDEDLO Cc1cccn2cc(CN3CCO[C@H](C#N)C3)[nH+]c12 ZINC000609281910 342099932 /nfs/dbraw/zinc/09/99/32/342099932.db2.gz UWFNCXYGFMYGQA-CYBMUJFWSA-N 1 2 256.309 1.367 20 30 CDEDLO COc1cc(CNc2nc[nH+]c3c2OCCN3)ccc1C#N ZINC000591161070 342620205 /nfs/dbraw/zinc/62/02/05/342620205.db2.gz NLWHUUDBAUDNBT-UHFFFAOYSA-N 1 2 297.318 1.195 20 30 CDEDLO COc1cc(CNc2[nH+]cnc3c2OCCN3)ccc1C#N ZINC000591161070 342620206 /nfs/dbraw/zinc/62/02/06/342620206.db2.gz NLWHUUDBAUDNBT-UHFFFAOYSA-N 1 2 297.318 1.195 20 30 CDEDLO C=C[C@@](C)(O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000611645341 346840818 /nfs/dbraw/zinc/84/08/18/346840818.db2.gz XYEVQODQEPXQTJ-CQSZACIVSA-N 1 2 259.309 1.757 20 30 CDEDLO Cc1cc(N2CCC(c3nncn3C)CC2)c(C#N)c[nH+]1 ZINC000591817760 342647366 /nfs/dbraw/zinc/64/73/66/342647366.db2.gz MGYPQKBQUXRSAE-UHFFFAOYSA-N 1 2 282.351 1.774 20 30 CDEDLO N#Cc1c2c(cnc1NCC1([NH+]3CCOCC3)CC1)CCC2 ZINC000591824439 342647820 /nfs/dbraw/zinc/64/78/20/342647820.db2.gz SJQGMBPCCOZCRY-UHFFFAOYSA-N 1 2 298.390 1.719 20 30 CDEDLO COC(=O)c1oc(C[N@@H+]2CC[C@](O)(CC#N)C2)cc1C ZINC000592147538 342668160 /nfs/dbraw/zinc/66/81/60/342668160.db2.gz PWPDIHPKIDSPIS-CQSZACIVSA-N 1 2 278.308 1.225 20 30 CDEDLO COC(=O)c1oc(C[N@H+]2CC[C@](O)(CC#N)C2)cc1C ZINC000592147538 342668161 /nfs/dbraw/zinc/66/81/61/342668161.db2.gz PWPDIHPKIDSPIS-CQSZACIVSA-N 1 2 278.308 1.225 20 30 CDEDLO CC[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000593395227 342794617 /nfs/dbraw/zinc/79/46/17/342794617.db2.gz YNKGIYHPTKGAEJ-ZDUSSCGKSA-N 1 2 272.352 1.276 20 30 CDEDLO N#CCCCCCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000588620963 342217359 /nfs/dbraw/zinc/21/73/59/342217359.db2.gz PJLMIMNEUKKFQK-HNNXBMFYSA-N 1 2 293.411 1.784 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](C(=O)OCC)C2)nn1 ZINC000593936769 342859055 /nfs/dbraw/zinc/85/90/55/342859055.db2.gz GVHBUQJJUSVQLK-CYBMUJFWSA-N 1 2 292.383 1.629 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)nn1 ZINC000593936769 342859057 /nfs/dbraw/zinc/85/90/57/342859057.db2.gz GVHBUQJJUSVQLK-CYBMUJFWSA-N 1 2 292.383 1.629 20 30 CDEDLO C=CCOc1ccccc1C(=O)NCc1c[nH+]cn1C ZINC000356753736 539106038 /nfs/dbraw/zinc/10/60/38/539106038.db2.gz IXKIWIGGZSLLCV-UHFFFAOYSA-N 1 2 271.320 1.915 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)N3CC[C@](F)(C#N)C3)cc2n1C ZINC000619445181 349717459 /nfs/dbraw/zinc/71/74/59/349717459.db2.gz GSGOYKCZJRRTLP-HNNXBMFYSA-N 1 2 286.310 1.960 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC000595393114 343046644 /nfs/dbraw/zinc/04/66/44/343046644.db2.gz WRUUERNMHYKLAS-UHFFFAOYSA-N 1 2 281.363 1.661 20 30 CDEDLO COC(=O)c1cccc(CN2CCn3c[nH+]cc3C2)c1C#N ZINC000595488012 343075458 /nfs/dbraw/zinc/07/54/58/343075458.db2.gz AXBIZRNZVFHTBW-UHFFFAOYSA-N 1 2 296.330 1.557 20 30 CDEDLO CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595614352 343109499 /nfs/dbraw/zinc/10/94/99/343109499.db2.gz KWSVZXNWPRNMDH-SNVBAGLBSA-N 1 2 277.290 1.633 20 30 CDEDLO CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595614352 343109502 /nfs/dbraw/zinc/10/95/02/343109502.db2.gz KWSVZXNWPRNMDH-SNVBAGLBSA-N 1 2 277.290 1.633 20 30 CDEDLO COC(=O)c1cnc(C[NH+]2CCC(C)(C#N)CC2)cn1 ZINC000599366208 344027587 /nfs/dbraw/zinc/02/75/87/344027587.db2.gz MKGDFGOXGKBQKS-UHFFFAOYSA-N 1 2 274.324 1.389 20 30 CDEDLO N#Cc1sccc1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000595631111 343113477 /nfs/dbraw/zinc/11/34/77/343113477.db2.gz RHJUZEOZQMWCQG-UHFFFAOYSA-N 1 2 273.365 1.665 20 30 CDEDLO Cn1cc[nH+]c1CN(CCC#N)Cc1cccnc1 ZINC000078664076 342339293 /nfs/dbraw/zinc/33/92/93/342339293.db2.gz DCGDCGGHMQTQNX-UHFFFAOYSA-N 1 2 255.325 1.731 20 30 CDEDLO CC[N@H+](CCC#N)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000081038983 342363353 /nfs/dbraw/zinc/36/33/53/342363353.db2.gz HCMZVJSNNIPAEF-SECBINFHSA-N 1 2 263.263 1.385 20 30 CDEDLO CC[N@@H+](CCC#N)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000081038983 342363354 /nfs/dbraw/zinc/36/33/54/342363354.db2.gz HCMZVJSNNIPAEF-SECBINFHSA-N 1 2 263.263 1.385 20 30 CDEDLO N#Cc1nc(N2CCn3c[nH+]cc3C2)sc1Cl ZINC000596237248 343283100 /nfs/dbraw/zinc/28/31/00/343283100.db2.gz CCVFGBUSNMONQL-UHFFFAOYSA-N 1 2 265.729 1.885 20 30 CDEDLO CCc1nc(C#N)cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000596215211 343268526 /nfs/dbraw/zinc/26/85/26/343268526.db2.gz RXNZYZQEIWYLGG-CQSZACIVSA-N 1 2 295.346 1.963 20 30 CDEDLO CNC(=O)N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000084696572 342380568 /nfs/dbraw/zinc/38/05/68/342380568.db2.gz GLEOWJUZMZGLTE-LBPRGKRZSA-N 1 2 272.352 1.576 20 30 CDEDLO C[C@H]1C[N@H+](CCNc2ncc(C#N)cc2F)[C@@H](C)CO1 ZINC000596427269 343312118 /nfs/dbraw/zinc/31/21/18/343312118.db2.gz DWVDCJHNRCQFOE-QWRGUYRKSA-N 1 2 278.331 1.613 20 30 CDEDLO C[C@H]1C[N@@H+](CCNc2ncc(C#N)cc2F)[C@@H](C)CO1 ZINC000596427269 343312119 /nfs/dbraw/zinc/31/21/19/343312119.db2.gz DWVDCJHNRCQFOE-QWRGUYRKSA-N 1 2 278.331 1.613 20 30 CDEDLO CCC[N@@H+]1CC[C@H](Nc2nc(C#N)c(Cl)s2)C1 ZINC000596517983 343340443 /nfs/dbraw/zinc/34/04/43/343340443.db2.gz SEBKQOKEEDBDFJ-QMMMGPOBSA-N 1 2 270.789 1.986 20 30 CDEDLO CCC[N@H+]1CC[C@H](Nc2nc(C#N)c(Cl)s2)C1 ZINC000596517983 343340446 /nfs/dbraw/zinc/34/04/46/343340446.db2.gz SEBKQOKEEDBDFJ-QMMMGPOBSA-N 1 2 270.789 1.986 20 30 CDEDLO O=C(N[C@H]1CCCS(=O)(=O)C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330212584 362180540 /nfs/dbraw/zinc/18/05/40/362180540.db2.gz DSVUWCGRHWEDSF-CMPLNLGQSA-N 1 2 286.397 1.147 20 30 CDEDLO O=C(N[C@H]1CCCS(=O)(=O)C1)[C@H]1CCC[N@H+]1C1CC1 ZINC000330212584 362180547 /nfs/dbraw/zinc/18/05/47/362180547.db2.gz DSVUWCGRHWEDSF-CMPLNLGQSA-N 1 2 286.397 1.147 20 30 CDEDLO CC(C)C[C@H](C#N)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000597075515 343439455 /nfs/dbraw/zinc/43/94/55/343439455.db2.gz VJMQNALXSPRVCA-NWDGAFQWSA-N 1 2 260.341 1.500 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)OC ZINC000597118389 343458578 /nfs/dbraw/zinc/45/85/78/343458578.db2.gz XXNUFHFWBHQPKV-XQHKEYJVSA-N 1 2 253.342 1.509 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cc(CC#N)ccn1 ZINC000597389382 343531043 /nfs/dbraw/zinc/53/10/43/343531043.db2.gz PFOPEIHDUSVRHZ-VXGBXAGGSA-N 1 2 281.319 1.623 20 30 CDEDLO CN1CCOC[C@H]1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000329004509 529781004 /nfs/dbraw/zinc/78/10/04/529781004.db2.gz WYTIGBAOVBWUPK-LBPRGKRZSA-N 1 2 274.324 1.121 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C1(C#N)CCCCC1 ZINC000597998691 343685374 /nfs/dbraw/zinc/68/53/74/343685374.db2.gz QCAMPECHPIOWEX-KGLIPLIRSA-N 1 2 293.411 1.686 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C1(C#N)CCCCC1 ZINC000597998691 343685375 /nfs/dbraw/zinc/68/53/75/343685375.db2.gz QCAMPECHPIOWEX-KGLIPLIRSA-N 1 2 293.411 1.686 20 30 CDEDLO N#Cc1ccc(-c2ccc(NCCOCCO)[nH+]c2)cc1 ZINC000600773744 349880253 /nfs/dbraw/zinc/88/02/53/349880253.db2.gz CKVBGCUXRPCZQA-UHFFFAOYSA-N 1 2 283.331 1.463 20 30 CDEDLO CN(C[C@@H]1CCCO1)C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330162094 529949821 /nfs/dbraw/zinc/94/98/21/529949821.db2.gz ADDXRRBFHIWTMX-NEPJUHHUSA-N 1 2 278.356 1.223 20 30 CDEDLO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(F)cc1C#N ZINC000411916955 362298099 /nfs/dbraw/zinc/29/80/99/362298099.db2.gz BVHRXSNUAIAELZ-KBPBESRZSA-N 1 2 264.300 1.279 20 30 CDEDLO COC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(F)cc1C#N ZINC000411916955 362298104 /nfs/dbraw/zinc/29/81/04/362298104.db2.gz BVHRXSNUAIAELZ-KBPBESRZSA-N 1 2 264.300 1.279 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCc2c(O)cccc2C1)C1CC1 ZINC000599646361 344112846 /nfs/dbraw/zinc/11/28/46/344112846.db2.gz IOZLOVJEVSWIKS-KRWDZBQOSA-N 1 2 299.374 1.559 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCc2c(O)cccc2C1)C1CC1 ZINC000599646361 344112847 /nfs/dbraw/zinc/11/28/47/344112847.db2.gz IOZLOVJEVSWIKS-KRWDZBQOSA-N 1 2 299.374 1.559 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCCCc1ccccc1 ZINC000602861112 344616535 /nfs/dbraw/zinc/61/65/35/344616535.db2.gz FHJFLIFHNBQRLU-ZDUSSCGKSA-N 1 2 259.353 1.627 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000602861278 344616822 /nfs/dbraw/zinc/61/68/22/344616822.db2.gz FVLUOYCZAMHYEH-QJPTWQEYSA-N 1 2 280.372 1.283 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000602864184 344637714 /nfs/dbraw/zinc/63/77/14/344637714.db2.gz RBVOZQZHBZOMQP-QMMMGPOBSA-N 1 2 297.261 1.838 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000602870376 344641000 /nfs/dbraw/zinc/64/10/00/344641000.db2.gz STECCGKSTKQBLC-GHMZBOCLSA-N 1 2 286.335 1.252 20 30 CDEDLO C=CCCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000617618059 345879986 /nfs/dbraw/zinc/87/99/86/345879986.db2.gz AIUKOMGESOJSMH-ZDUSSCGKSA-N 1 2 292.383 1.175 20 30 CDEDLO C=CCCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000617618059 345879988 /nfs/dbraw/zinc/87/99/88/345879988.db2.gz AIUKOMGESOJSMH-ZDUSSCGKSA-N 1 2 292.383 1.175 20 30 CDEDLO Cc1cccn2cc(CCNC(=O)[C@H](C)C#N)[nH+]c12 ZINC000610446242 346283336 /nfs/dbraw/zinc/28/33/36/346283336.db2.gz RCFWZNOENLGNAZ-LLVKDONJSA-N 1 2 256.309 1.461 20 30 CDEDLO Cc1ccc2[nH+]c(CNc3ccc(C#N)nn3)cn2c1 ZINC000611239950 346710486 /nfs/dbraw/zinc/71/04/86/346710486.db2.gz NHDHPYRLRCDDFS-UHFFFAOYSA-N 1 2 264.292 1.338 20 30 CDEDLO Cc1cc(NC(=O)N2CCC[C@](C)(C#N)C2)cc[nH+]1 ZINC000612320795 347113526 /nfs/dbraw/zinc/11/35/26/347113526.db2.gz DISNOTXIZILTQQ-CQSZACIVSA-N 1 2 258.325 1.970 20 30 CDEDLO C=CC[N@@H+](CCCC(=O)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000450552584 362833655 /nfs/dbraw/zinc/83/36/55/362833655.db2.gz HQLUJXHKYMAHPD-GFCCVEGCSA-N 1 2 273.398 1.421 20 30 CDEDLO C=CC[N@H+](CCCC(=O)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000450552584 362833659 /nfs/dbraw/zinc/83/36/59/362833659.db2.gz HQLUJXHKYMAHPD-GFCCVEGCSA-N 1 2 273.398 1.421 20 30 CDEDLO C=C[C@@](C)(O)C(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000614001310 347960679 /nfs/dbraw/zinc/96/06/79/347960679.db2.gz UJROTIJZTJHICH-OAHLLOKOSA-N 1 2 279.384 1.621 20 30 CDEDLO C#CCNC(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022777810 348540762 /nfs/dbraw/zinc/54/07/62/348540762.db2.gz SHIFHQXVVJTVII-RMKNXTFCSA-N 1 2 297.402 1.067 20 30 CDEDLO C#CCNC(=O)C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000022777810 348540764 /nfs/dbraw/zinc/54/07/64/348540764.db2.gz SHIFHQXVVJTVII-RMKNXTFCSA-N 1 2 297.402 1.067 20 30 CDEDLO Cc1cc(C#N)ccc1C(=O)N(C)C[C@H]1C[N@H+](C)CCO1 ZINC000601738781 350002167 /nfs/dbraw/zinc/00/21/67/350002167.db2.gz ZIPYXIODPGOTSW-CQSZACIVSA-N 1 2 287.363 1.269 20 30 CDEDLO Cc1cc(C#N)ccc1C(=O)N(C)C[C@H]1C[N@@H+](C)CCO1 ZINC000601738781 350002170 /nfs/dbraw/zinc/00/21/70/350002170.db2.gz ZIPYXIODPGOTSW-CQSZACIVSA-N 1 2 287.363 1.269 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](O)C1CC1 ZINC000305734914 350083454 /nfs/dbraw/zinc/08/34/54/350083454.db2.gz LOVSKZRVWKLZKD-HUUCEWRRSA-N 1 2 288.347 1.475 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)C1CC1 ZINC000305734914 350083457 /nfs/dbraw/zinc/08/34/57/350083457.db2.gz LOVSKZRVWKLZKD-HUUCEWRRSA-N 1 2 288.347 1.475 20 30 CDEDLO C=CCCOCC(=O)NCCCCn1cc[nH+]c1 ZINC000620205497 350092200 /nfs/dbraw/zinc/09/22/00/350092200.db2.gz PTVQZRDDJYONOZ-UHFFFAOYSA-N 1 2 251.330 1.372 20 30 CDEDLO N#Cc1cccc(C[NH2+][C@]2(CO)CCOc3ccccc32)n1 ZINC000602658376 350138044 /nfs/dbraw/zinc/13/80/44/350138044.db2.gz VPTKQPMTCMYHMI-KRWDZBQOSA-N 1 2 295.342 1.713 20 30 CDEDLO N#Cc1cccc(OC2CC[NH+]([C@H]3CCOC3=O)CC2)c1 ZINC000104713920 186018133 /nfs/dbraw/zinc/01/81/33/186018133.db2.gz XBYLDDLLDWFJIA-HNNXBMFYSA-N 1 2 286.331 1.717 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@H](CC)C1 ZINC000249071918 482634573 /nfs/dbraw/zinc/63/45/73/482634573.db2.gz ZVYUQENJFKUJNS-ZIAGYGMSSA-N 1 2 268.401 1.910 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](CC)C1 ZINC000249071918 482634581 /nfs/dbraw/zinc/63/45/81/482634581.db2.gz ZVYUQENJFKUJNS-ZIAGYGMSSA-N 1 2 268.401 1.910 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cccnc1N1CCOCC1 ZINC000573833913 334969952 /nfs/dbraw/zinc/96/99/52/334969952.db2.gz JKKHODMEUSCXEW-CQSZACIVSA-N 1 2 299.378 1.451 20 30 CDEDLO N#Cc1ccnc(N2CCN(c3cc(CO)cc[nH+]3)CC2)c1 ZINC000603270196 350241804 /nfs/dbraw/zinc/24/18/04/350241804.db2.gz GXVUOMJZOVMJDO-UHFFFAOYSA-N 1 2 295.346 1.167 20 30 CDEDLO Cn1c[nH+]cc1Cn1c(C(F)(F)F)ccc(C#N)c1=O ZINC000603375508 350268332 /nfs/dbraw/zinc/26/83/32/350268332.db2.gz ASUROAWHYDBKJI-UHFFFAOYSA-N 1 2 282.225 1.521 20 30 CDEDLO C=CC[N@@H+](CCS(=O)(=O)NC)Cc1cccs1 ZINC000621243759 350498677 /nfs/dbraw/zinc/49/86/77/350498677.db2.gz OIGKHTQWMSPXPU-UHFFFAOYSA-N 1 2 274.411 1.285 20 30 CDEDLO C=CC[N@H+](CCS(=O)(=O)NC)Cc1cccs1 ZINC000621243759 350498680 /nfs/dbraw/zinc/49/86/80/350498680.db2.gz OIGKHTQWMSPXPU-UHFFFAOYSA-N 1 2 274.411 1.285 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000068616800 351112361 /nfs/dbraw/zinc/11/23/61/351112361.db2.gz LQEXLOVCOJXCII-JTQLQIEISA-N 1 2 263.366 1.525 20 30 CDEDLO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000154123575 351271204 /nfs/dbraw/zinc/27/12/04/351271204.db2.gz SLVVEZMSTPPYKA-JTQLQIEISA-N 1 2 299.421 1.133 20 30 CDEDLO CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000154123575 351271207 /nfs/dbraw/zinc/27/12/07/351271207.db2.gz SLVVEZMSTPPYKA-JTQLQIEISA-N 1 2 299.421 1.133 20 30 CDEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC=C(F)C2)cc1 ZINC000271596475 191232692 /nfs/dbraw/zinc/23/26/92/191232692.db2.gz HOXXIAMSXQQCIF-CQSZACIVSA-N 1 2 276.311 1.857 20 30 CDEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC=C(F)C2)cc1 ZINC000271596475 191232694 /nfs/dbraw/zinc/23/26/94/191232694.db2.gz HOXXIAMSXQQCIF-CQSZACIVSA-N 1 2 276.311 1.857 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000154879349 188167375 /nfs/dbraw/zinc/16/73/75/188167375.db2.gz PGXNBEDKUQGDES-ZDUSSCGKSA-N 1 2 265.357 1.713 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cccn2C(F)F)C1 ZINC001660121918 1172164122 /nfs/dbraw/zinc/16/41/22/1172164122.db2.gz YLZKNYVRNRAJQY-LBPRGKRZSA-N 1 2 255.268 1.734 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cccn2C(F)F)C1 ZINC001660121918 1172164127 /nfs/dbraw/zinc/16/41/27/1172164127.db2.gz YLZKNYVRNRAJQY-LBPRGKRZSA-N 1 2 255.268 1.734 20 30 CDEDLO N#CCC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000355486664 366103692 /nfs/dbraw/zinc/10/36/92/366103692.db2.gz SZQUPSSGOLXLQY-UHFFFAOYSA-N 1 2 254.293 1.461 20 30 CDEDLO C[N@H+](CCOc1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000036869960 363284141 /nfs/dbraw/zinc/28/41/41/363284141.db2.gz CYLFHGRGPDYKPZ-ZDUSSCGKSA-N 1 2 294.376 1.056 20 30 CDEDLO C[N@@H+](CCOc1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000036869960 363284149 /nfs/dbraw/zinc/28/41/49/363284149.db2.gz CYLFHGRGPDYKPZ-ZDUSSCGKSA-N 1 2 294.376 1.056 20 30 CDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cccnc1C#N ZINC000291179719 291067888 /nfs/dbraw/zinc/06/78/88/291067888.db2.gz RSHFLKCYCMFNDS-QWHCGFSZSA-N 1 2 272.352 1.253 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1ccccc1C#N ZINC000047975409 355939117 /nfs/dbraw/zinc/93/91/17/355939117.db2.gz HADOWYLGMQUOLA-NSHDSACASA-N 1 2 290.348 1.122 20 30 CDEDLO N#Cc1c2c(cnc1NCc1ccc(N)[nH+]c1)CCC2 ZINC000577843444 356071461 /nfs/dbraw/zinc/07/14/61/356071461.db2.gz RKNHZNWYAPKARB-UHFFFAOYSA-N 1 2 265.320 1.284 20 30 CDEDLO Cc1c[nH+]c(CN2CCN(c3ccccc3C#N)CC2)n1C ZINC000342797187 356251707 /nfs/dbraw/zinc/25/17/07/356251707.db2.gz FDAJORSIBDZYFA-UHFFFAOYSA-N 1 2 295.390 1.922 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081515248 356328236 /nfs/dbraw/zinc/32/82/36/356328236.db2.gz FWZVIHCAJSJIJN-ZDUSSCGKSA-N 1 2 276.384 1.620 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081515248 356328242 /nfs/dbraw/zinc/32/82/42/356328242.db2.gz FWZVIHCAJSJIJN-ZDUSSCGKSA-N 1 2 276.384 1.620 20 30 CDEDLO Cc1cncc(/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000493352072 366300774 /nfs/dbraw/zinc/30/07/74/366300774.db2.gz LIVMIICIRHFRNX-IYKSTZQJSA-N 1 2 272.352 1.363 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121413561 356810912 /nfs/dbraw/zinc/81/09/12/356810912.db2.gz SVMRYWHCSJKLMU-CYBMUJFWSA-N 1 2 274.368 1.374 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121413561 356810914 /nfs/dbraw/zinc/81/09/14/356810914.db2.gz SVMRYWHCSJKLMU-CYBMUJFWSA-N 1 2 274.368 1.374 20 30 CDEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NCC=C ZINC000298692754 356910972 /nfs/dbraw/zinc/91/09/72/356910972.db2.gz ZNEOOEQSMAMGAR-CQSZACIVSA-N 1 2 256.349 1.813 20 30 CDEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NCC=C ZINC000298692754 356910974 /nfs/dbraw/zinc/91/09/74/356910974.db2.gz ZNEOOEQSMAMGAR-CQSZACIVSA-N 1 2 256.349 1.813 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)N2CCc3c[nH+]ccc32)o1 ZINC000344184412 356958834 /nfs/dbraw/zinc/95/88/34/356958834.db2.gz AENBCEXIJLJWET-UHFFFAOYSA-N 1 2 275.289 1.298 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NCCc1cccs1 ZINC000299267556 357007739 /nfs/dbraw/zinc/00/77/39/357007739.db2.gz LWOSXBMIIGKRIY-ZDUSSCGKSA-N 1 2 274.389 1.364 20 30 CDEDLO CCN1CC[NH+]([C@@H]2CCN(c3cccnc3C#N)C2)CC1 ZINC000290525650 357212819 /nfs/dbraw/zinc/21/28/19/357212819.db2.gz GSJDRKJEZFEUKT-CQSZACIVSA-N 1 2 285.395 1.169 20 30 CDEDLO CCN1CC[NH+]([C@H]2CCN(c3cccnc3C#N)C2)CC1 ZINC000290525646 357213206 /nfs/dbraw/zinc/21/32/06/357213206.db2.gz GSJDRKJEZFEUKT-AWEZNQCLSA-N 1 2 285.395 1.169 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC000058007556 357373012 /nfs/dbraw/zinc/37/30/12/357373012.db2.gz XQMCZSIBKANAAC-UHFFFAOYSA-N 1 2 262.328 1.585 20 30 CDEDLO C#CCN1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000058007556 357373015 /nfs/dbraw/zinc/37/30/15/357373015.db2.gz XQMCZSIBKANAAC-UHFFFAOYSA-N 1 2 262.328 1.585 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)s1 ZINC000334375134 357572626 /nfs/dbraw/zinc/57/26/26/357572626.db2.gz DDBVAZHLJVCOSO-JTQLQIEISA-N 1 2 261.350 1.426 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)s1 ZINC000334375134 357572633 /nfs/dbraw/zinc/57/26/33/357572633.db2.gz DDBVAZHLJVCOSO-JTQLQIEISA-N 1 2 261.350 1.426 20 30 CDEDLO CC[N@@H+](Cc1cccc(C#N)n1)C[C@H](O)C(F)(F)F ZINC000602623463 357675998 /nfs/dbraw/zinc/67/59/98/357675998.db2.gz PLTUZNFZEKOFEY-NSHDSACASA-N 1 2 273.258 1.698 20 30 CDEDLO CC[N@H+](Cc1cccc(C#N)n1)C[C@H](O)C(F)(F)F ZINC000602623463 357676003 /nfs/dbraw/zinc/67/60/03/357676003.db2.gz PLTUZNFZEKOFEY-NSHDSACASA-N 1 2 273.258 1.698 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H](C)O1 ZINC000189388930 358004073 /nfs/dbraw/zinc/00/40/73/358004073.db2.gz XPPAFQVTOSJTAI-SMDDNHRTSA-N 1 2 278.327 1.933 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H](C)O1 ZINC000189388930 358004077 /nfs/dbraw/zinc/00/40/77/358004077.db2.gz XPPAFQVTOSJTAI-SMDDNHRTSA-N 1 2 278.327 1.933 20 30 CDEDLO N#Cc1cc(NCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000135316267 358183538 /nfs/dbraw/zinc/18/35/38/358183538.db2.gz RNRQTHLGBIZVNL-UHFFFAOYSA-N 1 2 276.296 1.211 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000104669735 283389455 /nfs/dbraw/zinc/38/94/55/283389455.db2.gz RDSCQVRIBBDSMV-INIZCTEOSA-N 1 2 296.374 1.911 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000104669735 283389459 /nfs/dbraw/zinc/38/94/59/283389459.db2.gz RDSCQVRIBBDSMV-INIZCTEOSA-N 1 2 296.374 1.911 20 30 CDEDLO N#CC1(NC(=O)c2ccc3[nH+]ccn3c2)CCSCC1 ZINC000179086382 366515092 /nfs/dbraw/zinc/51/50/92/366515092.db2.gz FTHQKRIBQCFRIE-UHFFFAOYSA-N 1 2 286.360 1.853 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)N[C@H](Cc1ccccc1)C(C)=O ZINC000494626108 366508499 /nfs/dbraw/zinc/50/84/99/366508499.db2.gz NUKVOXSAHZGTBD-OAHLLOKOSA-N 1 2 274.364 1.421 20 30 CDEDLO C=CC[N@H+](C)CC(=O)N[C@H](Cc1ccccc1)C(C)=O ZINC000494626108 366508505 /nfs/dbraw/zinc/50/85/05/366508505.db2.gz NUKVOXSAHZGTBD-OAHLLOKOSA-N 1 2 274.364 1.421 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000346483936 359017548 /nfs/dbraw/zinc/01/75/48/359017548.db2.gz KUZXGBHYROKHBP-XQQFMLRXSA-N 1 2 272.352 1.572 20 30 CDEDLO C=CCN(C)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000346498743 359018246 /nfs/dbraw/zinc/01/82/46/359018246.db2.gz WZFYUASGWZGHJE-CHWSQXEVSA-N 1 2 259.353 1.798 20 30 CDEDLO N#Cc1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000152532038 359281925 /nfs/dbraw/zinc/28/19/25/359281925.db2.gz GJPTXYIUAYLFID-HNNXBMFYSA-N 1 2 292.342 1.962 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccnc(Cl)c2F)CC1 ZINC000270629883 359407925 /nfs/dbraw/zinc/40/79/25/359407925.db2.gz CJEGQMBDDWDJBL-UHFFFAOYSA-N 1 2 295.745 1.655 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1cccc(C(=O)OC)c1)C1CC1 ZINC000274235317 359494959 /nfs/dbraw/zinc/49/49/59/359494959.db2.gz XEYZNCQOAQCWDM-UHFFFAOYSA-N 1 2 286.331 1.509 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1cccc(C(=O)OC)c1)C1CC1 ZINC000274235317 359494963 /nfs/dbraw/zinc/49/49/63/359494963.db2.gz XEYZNCQOAQCWDM-UHFFFAOYSA-N 1 2 286.331 1.509 20 30 CDEDLO CC[N@H+](CC(N)=O)Cc1ccc(Br)cc1C#N ZINC000287784119 359540610 /nfs/dbraw/zinc/54/06/10/359540610.db2.gz NOWSWHHFKVRLQX-UHFFFAOYSA-N 1 2 296.168 1.628 20 30 CDEDLO CC[N@@H+](CC(N)=O)Cc1ccc(Br)cc1C#N ZINC000287784119 359540615 /nfs/dbraw/zinc/54/06/15/359540615.db2.gz NOWSWHHFKVRLQX-UHFFFAOYSA-N 1 2 296.168 1.628 20 30 CDEDLO CC#CC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000277273112 359559982 /nfs/dbraw/zinc/55/99/82/359559982.db2.gz BQBPIZUFIDVFHW-HNNXBMFYSA-N 1 2 272.348 1.199 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)N[C@@H](C)CC)n1 ZINC000279687363 359592144 /nfs/dbraw/zinc/59/21/44/359592144.db2.gz HHGZGGQSYDTRDQ-KBPBESRZSA-N 1 2 290.411 1.641 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)N[C@@H](C)CC)n1 ZINC000279687363 359592147 /nfs/dbraw/zinc/59/21/47/359592147.db2.gz HHGZGGQSYDTRDQ-KBPBESRZSA-N 1 2 290.411 1.641 20 30 CDEDLO C#CCCC[NH2+]c1ccc(OCC(=O)NC)cc1C ZINC000279967385 359597257 /nfs/dbraw/zinc/59/72/57/359597257.db2.gz CXZSVWLKLJRMKI-UHFFFAOYSA-N 1 2 260.337 1.945 20 30 CDEDLO Cc1noc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)n1 ZINC000348069355 359772171 /nfs/dbraw/zinc/77/21/71/359772171.db2.gz BYMOZMDLTBBUDH-RNCFNFMXSA-N 1 2 279.344 1.083 20 30 CDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)NCC=C ZINC000298039515 200321674 /nfs/dbraw/zinc/32/16/74/200321674.db2.gz GPVGTRRIYFCBCD-ZDUSSCGKSA-N 1 2 274.339 1.952 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)NCC=C ZINC000298039515 200321675 /nfs/dbraw/zinc/32/16/75/200321675.db2.gz GPVGTRRIYFCBCD-ZDUSSCGKSA-N 1 2 274.339 1.952 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)Nc2ccc3nn[nH]c3c2)CC1 ZINC000176713056 189005369 /nfs/dbraw/zinc/00/53/69/189005369.db2.gz KTRDHOGQMXTGRL-UHFFFAOYSA-N 1 2 283.335 1.242 20 30 CDEDLO N#Cc1csc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000176992889 189019291 /nfs/dbraw/zinc/01/92/91/189019291.db2.gz BTUNXMDNZKIOHE-LBPRGKRZSA-N 1 2 275.377 1.930 20 30 CDEDLO N#Cc1csc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000176992889 189019292 /nfs/dbraw/zinc/01/92/92/189019292.db2.gz BTUNXMDNZKIOHE-LBPRGKRZSA-N 1 2 275.377 1.930 20 30 CDEDLO CCOC(=O)C[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000178311783 189106114 /nfs/dbraw/zinc/10/61/14/189106114.db2.gz KLIJIBBQSRDUHZ-ZDUSSCGKSA-N 1 2 262.309 1.087 20 30 CDEDLO CCOC(=O)C[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000178311783 189106115 /nfs/dbraw/zinc/10/61/15/189106115.db2.gz KLIJIBBQSRDUHZ-ZDUSSCGKSA-N 1 2 262.309 1.087 20 30 CDEDLO N#CCC1(CNC(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000430163377 360906901 /nfs/dbraw/zinc/90/69/01/360906901.db2.gz QQDXSRRKGLPKDB-UHFFFAOYSA-N 1 2 297.362 1.870 20 30 CDEDLO Cc1cc(F)c(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1F ZINC000564730101 360999024 /nfs/dbraw/zinc/99/90/24/360999024.db2.gz ACGWZCFCEOSLSR-HNNXBMFYSA-N 1 2 295.333 1.776 20 30 CDEDLO N#CCSc1cccc(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000431954249 361074979 /nfs/dbraw/zinc/07/49/79/361074979.db2.gz XQDPELVBYRLLAA-UHFFFAOYSA-N 1 2 272.333 1.955 20 30 CDEDLO N#CCSc1cccc(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000431954249 361074985 /nfs/dbraw/zinc/07/49/85/361074985.db2.gz XQDPELVBYRLLAA-UHFFFAOYSA-N 1 2 272.333 1.955 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCOC2(CCCC2)C1)C1CC1 ZINC000158066007 361092750 /nfs/dbraw/zinc/09/27/50/361092750.db2.gz JHUDBIOJAOWTJB-HNNXBMFYSA-N 1 2 291.395 1.440 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCOC2(CCCC2)C1)C1CC1 ZINC000158066007 361092755 /nfs/dbraw/zinc/09/27/55/361092755.db2.gz JHUDBIOJAOWTJB-HNNXBMFYSA-N 1 2 291.395 1.440 20 30 CDEDLO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)CC(C)(C)C#N ZINC000433306515 361231065 /nfs/dbraw/zinc/23/10/65/361231065.db2.gz RLQSJLSMYGPGCV-JTQLQIEISA-N 1 2 282.388 1.481 20 30 CDEDLO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)CC(C)(C)C#N ZINC000433306515 361231070 /nfs/dbraw/zinc/23/10/70/361231070.db2.gz RLQSJLSMYGPGCV-JTQLQIEISA-N 1 2 282.388 1.481 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1cnc(C)s1 ZINC000053154210 361270213 /nfs/dbraw/zinc/27/02/13/361270213.db2.gz GRGDXKWFFMPSTG-VIFPVBQESA-N 1 2 296.396 1.284 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1cnc(C)s1 ZINC000053154210 361270218 /nfs/dbraw/zinc/27/02/18/361270218.db2.gz GRGDXKWFFMPSTG-VIFPVBQESA-N 1 2 296.396 1.284 20 30 CDEDLO CC(C)(C)[N@H+](CC(N)=O)Cc1ccc(C#N)cc1F ZINC000133938335 361473517 /nfs/dbraw/zinc/47/35/17/361473517.db2.gz FTVANUBZQUYQLC-UHFFFAOYSA-N 1 2 263.316 1.783 20 30 CDEDLO CC(C)(C)[N@@H+](CC(N)=O)Cc1ccc(C#N)cc1F ZINC000133938335 361473521 /nfs/dbraw/zinc/47/35/21/361473521.db2.gz FTVANUBZQUYQLC-UHFFFAOYSA-N 1 2 263.316 1.783 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000248506964 361557936 /nfs/dbraw/zinc/55/79/36/361557936.db2.gz XAAGIXRUIFYJPR-KZULUSFZSA-N 1 2 274.430 1.110 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000248506964 361557942 /nfs/dbraw/zinc/55/79/42/361557942.db2.gz XAAGIXRUIFYJPR-KZULUSFZSA-N 1 2 274.430 1.110 20 30 CDEDLO C#CCN1CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000103150081 363914548 /nfs/dbraw/zinc/91/45/48/363914548.db2.gz YIYJHZNHEAMNRG-UHFFFAOYSA-N 1 2 277.412 1.028 20 30 CDEDLO C#CC[NH+]1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000103150081 363914556 /nfs/dbraw/zinc/91/45/56/363914556.db2.gz YIYJHZNHEAMNRG-UHFFFAOYSA-N 1 2 277.412 1.028 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3cncc(F)c3)CC2)nc1 ZINC000573383443 364319571 /nfs/dbraw/zinc/31/95/71/364319571.db2.gz XVDLJQLHVISWEU-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCC#N ZINC000496693684 366847811 /nfs/dbraw/zinc/84/78/11/366847811.db2.gz JBEORZPFJFGZRG-QWRGUYRKSA-N 1 2 253.346 1.888 20 30 CDEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCC#N ZINC000496693684 366847816 /nfs/dbraw/zinc/84/78/16/366847816.db2.gz JBEORZPFJFGZRG-QWRGUYRKSA-N 1 2 253.346 1.888 20 30 CDEDLO CC[C@H](C)[C@@H](C)C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N ZINC000540944913 364475144 /nfs/dbraw/zinc/47/51/44/364475144.db2.gz SQPMWGYRPMVKTF-WDEREUQCSA-N 1 2 291.399 1.476 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C1=O ZINC000352896169 364569327 /nfs/dbraw/zinc/56/93/27/364569327.db2.gz ZFRTYWRGVVSLPP-XUOCYBMCSA-N 1 2 284.425 1.005 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C1=O ZINC000352896169 364569333 /nfs/dbraw/zinc/56/93/33/364569333.db2.gz ZFRTYWRGVVSLPP-XUOCYBMCSA-N 1 2 284.425 1.005 20 30 CDEDLO C=C(C)Cn1cc(C[NH+]2CCC(OC)CC2)nn1 ZINC000640802989 364658980 /nfs/dbraw/zinc/65/89/80/364658980.db2.gz FIFRJNWUGLBZSH-UHFFFAOYSA-N 1 2 250.346 1.465 20 30 CDEDLO C[N@H+](CCCS(C)(=O)=O)Cc1cccc(C#N)c1 ZINC000063015051 365071505 /nfs/dbraw/zinc/07/15/05/365071505.db2.gz BCXVQVQXKWCHKS-UHFFFAOYSA-N 1 2 266.366 1.425 20 30 CDEDLO C[N@@H+](CCCS(C)(=O)=O)Cc1cccc(C#N)c1 ZINC000063015051 365071515 /nfs/dbraw/zinc/07/15/15/365071515.db2.gz BCXVQVQXKWCHKS-UHFFFAOYSA-N 1 2 266.366 1.425 20 30 CDEDLO C=CCC[C@@H](O)Cn1cc(C[NH+]2CCSCC2)nn1 ZINC000641212708 365218978 /nfs/dbraw/zinc/21/89/78/365218978.db2.gz PHDCGQAVBZJSPQ-CYBMUJFWSA-N 1 2 282.413 1.154 20 30 CDEDLO N#Cc1cncnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000564239446 365398157 /nfs/dbraw/zinc/39/81/57/365398157.db2.gz DLBBLUGZSXFNRD-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C[C@@H]1O ZINC000270886632 366943131 /nfs/dbraw/zinc/94/31/31/366943131.db2.gz KTAYEYTWXFVAGR-YPMHNXCESA-N 1 2 291.351 1.409 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C[C@@H]1O ZINC000270886632 366943135 /nfs/dbraw/zinc/94/31/35/366943135.db2.gz KTAYEYTWXFVAGR-YPMHNXCESA-N 1 2 291.351 1.409 20 30 CDEDLO CC[N@H+](Cc1cc(C#N)ccc1OC)[C@@H]1CCNC1=O ZINC000440952914 367181394 /nfs/dbraw/zinc/18/13/94/367181394.db2.gz DYBMERCBYZBXGA-CYBMUJFWSA-N 1 2 273.336 1.277 20 30 CDEDLO CC[N@@H+](Cc1cc(C#N)ccc1OC)[C@@H]1CCNC1=O ZINC000440952914 367181400 /nfs/dbraw/zinc/18/14/00/367181400.db2.gz DYBMERCBYZBXGA-CYBMUJFWSA-N 1 2 273.336 1.277 20 30 CDEDLO Cc1noc(C23CC(C2)C[N@@H+]3[C@@H]2CC[C@@H](C#N)C2)n1 ZINC000528625806 367924723 /nfs/dbraw/zinc/92/47/23/367924723.db2.gz YVOHXIQXBHECMW-KTEZZQQRSA-N 1 2 258.325 1.991 20 30 CDEDLO Cc1noc(C23CC(C2)C[N@H+]3[C@@H]2CC[C@@H](C#N)C2)n1 ZINC000528625806 367924731 /nfs/dbraw/zinc/92/47/31/367924731.db2.gz YVOHXIQXBHECMW-KTEZZQQRSA-N 1 2 258.325 1.991 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)NC3(C#N)CC3)cc2n1C ZINC000530283524 368162902 /nfs/dbraw/zinc/16/29/02/368162902.db2.gz PPRPJJJTYUDDBC-UHFFFAOYSA-N 1 2 254.293 1.668 20 30 CDEDLO C[C@H](c1nc(N)nc(N(C)C)n1)[NH+]1CCC(CC#N)CC1 ZINC000541947995 368708697 /nfs/dbraw/zinc/70/86/97/368708697.db2.gz CXLNPOBLFSRGKK-SNVBAGLBSA-N 1 2 289.387 1.037 20 30 CDEDLO N#Cc1ccc([C@@H]([NH2+][C@@H]2CCC[C@@H]2F)C(N)=O)cc1 ZINC000419201825 243551200 /nfs/dbraw/zinc/55/12/00/243551200.db2.gz YCSRUJIRTLPFGI-YNEHKIRRSA-N 1 2 261.300 1.565 20 30 CDEDLO COCCC(=O)N1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000361842544 369067981 /nfs/dbraw/zinc/06/79/81/369067981.db2.gz LTYYXPYHDBAKKN-UHFFFAOYSA-N 1 2 286.375 1.219 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000072906202 369148132 /nfs/dbraw/zinc/14/81/32/369148132.db2.gz DMIGRLWVRMNQAX-HOTGVXAUSA-N 1 2 290.407 1.266 20 30 CDEDLO C=CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000276069991 193204462 /nfs/dbraw/zinc/20/44/62/193204462.db2.gz UOXUAKBOPJVBRB-CQSZACIVSA-N 1 2 288.395 1.866 20 30 CDEDLO C=CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000276069991 193204464 /nfs/dbraw/zinc/20/44/64/193204464.db2.gz UOXUAKBOPJVBRB-CQSZACIVSA-N 1 2 288.395 1.866 20 30 CDEDLO CC[C@H](NC(=O)c1ccc(C#N)cn1)c1[nH]cc[nH+]1 ZINC000139659940 369479366 /nfs/dbraw/zinc/47/93/66/369479366.db2.gz PIRBNBWWLDJQPO-JTQLQIEISA-N 1 2 255.281 1.557 20 30 CDEDLO C#CC[N@@H+](C[C@@H](O)CC1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000490742495 261198071 /nfs/dbraw/zinc/19/80/71/261198071.db2.gz YHXNAXBYYZDTAR-GJZGRUSLSA-N 1 2 299.436 1.050 20 30 CDEDLO C#CC[N@H+](C[C@@H](O)CC1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000490742495 261198074 /nfs/dbraw/zinc/19/80/74/261198074.db2.gz YHXNAXBYYZDTAR-GJZGRUSLSA-N 1 2 299.436 1.050 20 30 CDEDLO CC[N@H+](Cc1ccc(C#N)s1)[C@H]1CCS(=O)(=O)C1 ZINC000160576351 370491833 /nfs/dbraw/zinc/49/18/33/370491833.db2.gz WUSVMWCCLDBKNR-JTQLQIEISA-N 1 2 284.406 1.629 20 30 CDEDLO CC[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCS(=O)(=O)C1 ZINC000160576351 370491837 /nfs/dbraw/zinc/49/18/37/370491837.db2.gz WUSVMWCCLDBKNR-JTQLQIEISA-N 1 2 284.406 1.629 20 30 CDEDLO CCCCO[C@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000567816936 371156394 /nfs/dbraw/zinc/15/63/94/371156394.db2.gz JQAXORRYYUGEBK-DGCLKSJQSA-N 1 2 255.362 1.152 20 30 CDEDLO N#CCC[NH2+][C@H]1CCN(CCCc2ccccc2)C1=O ZINC000568991006 371233951 /nfs/dbraw/zinc/23/39/51/371233951.db2.gz JBPHSZVEMJEZLX-HNNXBMFYSA-N 1 2 271.364 1.723 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2CO)c(C#N)c1C ZINC000050116599 372389085 /nfs/dbraw/zinc/38/90/85/372389085.db2.gz LCHFNEORQDGDOH-NSHDSACASA-N 1 2 277.324 1.163 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2CO)c(C#N)c1C ZINC000050116599 372389089 /nfs/dbraw/zinc/38/90/89/372389089.db2.gz LCHFNEORQDGDOH-NSHDSACASA-N 1 2 277.324 1.163 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1c1nc([C@@H]2C[N@@H+](C)CCN2C)no1 ZINC000351348744 372396633 /nfs/dbraw/zinc/39/66/33/372396633.db2.gz NEAWXLHSWUIBPX-AGIUHOORSA-N 1 2 292.383 1.437 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1c1nc([C@@H]2C[N@H+](C)CCN2C)no1 ZINC000351348744 372396635 /nfs/dbraw/zinc/39/66/35/372396635.db2.gz NEAWXLHSWUIBPX-AGIUHOORSA-N 1 2 292.383 1.437 20 30 CDEDLO C[C@H]1COCC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000035775880 373840795 /nfs/dbraw/zinc/84/07/95/373840795.db2.gz RTOBFXCLMNFQIN-JSGCOSHPSA-N 1 2 276.336 1.019 20 30 CDEDLO C[C@H]1COCC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000035775880 373840800 /nfs/dbraw/zinc/84/08/00/373840800.db2.gz RTOBFXCLMNFQIN-JSGCOSHPSA-N 1 2 276.336 1.019 20 30 CDEDLO Cc1cccc2[nH+]c(CNc3ccc(C#N)nn3)cn21 ZINC000302002485 373934815 /nfs/dbraw/zinc/93/48/15/373934815.db2.gz QYRNTIGZGKOHHC-UHFFFAOYSA-N 1 2 264.292 1.917 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000289536351 197394041 /nfs/dbraw/zinc/39/40/41/197394041.db2.gz NRMNOEYTYMVHII-OAHLLOKOSA-N 1 2 278.352 1.251 20 30 CDEDLO CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000361362568 374040248 /nfs/dbraw/zinc/04/02/48/374040248.db2.gz TWLDDIVVOGUTTA-CMPLNLGQSA-N 1 2 291.351 1.816 20 30 CDEDLO CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000361362568 374040254 /nfs/dbraw/zinc/04/02/54/374040254.db2.gz TWLDDIVVOGUTTA-CMPLNLGQSA-N 1 2 291.351 1.816 20 30 CDEDLO N#Cc1csc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000515297028 374124583 /nfs/dbraw/zinc/12/45/83/374124583.db2.gz VGFGEKKIMGMDLU-TXEJJXNPSA-N 1 2 291.376 1.213 20 30 CDEDLO N#Cc1csc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000515297028 374124590 /nfs/dbraw/zinc/12/45/90/374124590.db2.gz VGFGEKKIMGMDLU-TXEJJXNPSA-N 1 2 291.376 1.213 20 30 CDEDLO Cc1nc(CN2CC[NH+](Cc3ccccc3C#N)CC2)no1 ZINC000074311174 374129321 /nfs/dbraw/zinc/12/93/21/374129321.db2.gz HAFOMRFPIGNRFJ-UHFFFAOYSA-N 1 2 297.362 1.568 20 30 CDEDLO N#Cc1ccccc1/C=C/C(=O)N1CCn2c[nH+]cc2C1 ZINC000367906807 374148158 /nfs/dbraw/zinc/14/81/58/374148158.db2.gz KWKLAZQEJVMLCF-AATRIKPKSA-N 1 2 278.315 1.810 20 30 CDEDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000104064079 374174379 /nfs/dbraw/zinc/17/43/79/374174379.db2.gz VKOWZLBOHQLGNG-OAHLLOKOSA-N 1 2 287.363 1.393 20 30 CDEDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000104064079 374174383 /nfs/dbraw/zinc/17/43/83/374174383.db2.gz VKOWZLBOHQLGNG-OAHLLOKOSA-N 1 2 287.363 1.393 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCSc1ccc(C#N)cn1 ZINC000412988065 374201640 /nfs/dbraw/zinc/20/16/40/374201640.db2.gz KLFVJICBIBHKSH-LLVKDONJSA-N 1 2 263.366 1.766 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCSc1ccc(C#N)cn1 ZINC000412988065 374201644 /nfs/dbraw/zinc/20/16/44/374201644.db2.gz KLFVJICBIBHKSH-LLVKDONJSA-N 1 2 263.366 1.766 20 30 CDEDLO CC[C@H]1C[N@H+](CCNC(=O)c2cscc2C#N)CCO1 ZINC000351601507 374263068 /nfs/dbraw/zinc/26/30/68/374263068.db2.gz HVXYLJUHDZFIAR-LBPRGKRZSA-N 1 2 293.392 1.460 20 30 CDEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2cscc2C#N)CCO1 ZINC000351601507 374263075 /nfs/dbraw/zinc/26/30/75/374263075.db2.gz HVXYLJUHDZFIAR-LBPRGKRZSA-N 1 2 293.392 1.460 20 30 CDEDLO Cc1sc(NC(=O)C[N@H+]2C[C@@H](C)[C@@H](O)C2)c(C#N)c1C ZINC000351786883 374274553 /nfs/dbraw/zinc/27/45/53/374274553.db2.gz YKEPBILGYKNQJF-PELKAZGASA-N 1 2 293.392 1.488 20 30 CDEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c(C#N)c1C ZINC000351786883 374274562 /nfs/dbraw/zinc/27/45/62/374274562.db2.gz YKEPBILGYKNQJF-PELKAZGASA-N 1 2 293.392 1.488 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)c2cccc(C#N)c2)CCO1 ZINC000523440142 374275828 /nfs/dbraw/zinc/27/58/28/374275828.db2.gz NPFOBUMVPAAYBR-LBPRGKRZSA-N 1 2 273.336 1.009 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)c2cccc(C#N)c2)CCO1 ZINC000523440142 374275831 /nfs/dbraw/zinc/27/58/31/374275831.db2.gz NPFOBUMVPAAYBR-LBPRGKRZSA-N 1 2 273.336 1.009 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccnc(C#N)c1)CCC2 ZINC000376398210 374553602 /nfs/dbraw/zinc/55/36/02/374553602.db2.gz VFASEIYWQNZKQX-GFCCVEGCSA-N 1 2 267.336 1.870 20 30 CDEDLO COc1ccnc(C[NH2+]Cc2ccc(C#N)s2)n1 ZINC000424195724 246382180 /nfs/dbraw/zinc/38/21/80/246382180.db2.gz YLMITMYBDZMRLF-UHFFFAOYSA-N 1 2 260.322 1.708 20 30 CDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCCOCC2)cc1 ZINC000332195808 375014248 /nfs/dbraw/zinc/01/42/48/375014248.db2.gz APVDAHPZEFCDAD-ZDUSSCGKSA-N 1 2 259.309 1.857 20 30 CDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCCOCC2)cc1 ZINC000332195808 375014261 /nfs/dbraw/zinc/01/42/61/375014261.db2.gz APVDAHPZEFCDAD-ZDUSSCGKSA-N 1 2 259.309 1.857 20 30 CDEDLO Cc1nc(C)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)s1 ZINC000564090369 375723768 /nfs/dbraw/zinc/72/37/68/375723768.db2.gz OPEYEKRAUAPZEA-LBPRGKRZSA-N 1 2 266.370 1.334 20 30 CDEDLO CS(=O)(=O)CCCC[N@H+](CCC#N)CC1CC1 ZINC000163575983 375740475 /nfs/dbraw/zinc/74/04/75/375740475.db2.gz OBSCTPTZZNSLCP-UHFFFAOYSA-N 1 2 258.387 1.437 20 30 CDEDLO CS(=O)(=O)CCCC[N@@H+](CCC#N)CC1CC1 ZINC000163575983 375740477 /nfs/dbraw/zinc/74/04/77/375740477.db2.gz OBSCTPTZZNSLCP-UHFFFAOYSA-N 1 2 258.387 1.437 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000058392438 375749864 /nfs/dbraw/zinc/74/98/64/375749864.db2.gz CJVQMVMCMPBXAQ-UHFFFAOYSA-N 1 2 272.348 1.209 20 30 CDEDLO C#CCN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000058392438 375749873 /nfs/dbraw/zinc/74/98/73/375749873.db2.gz CJVQMVMCMPBXAQ-UHFFFAOYSA-N 1 2 272.348 1.209 20 30 CDEDLO Cc1ccncc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000328946685 376017974 /nfs/dbraw/zinc/01/79/74/376017974.db2.gz MJWDDXMFEIPEHS-JTQLQIEISA-N 1 2 256.309 1.975 20 30 CDEDLO Cc1ccncc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000328946685 376017977 /nfs/dbraw/zinc/01/79/77/376017977.db2.gz MJWDDXMFEIPEHS-JTQLQIEISA-N 1 2 256.309 1.975 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C[C@H](CC)O1 ZINC000420956598 376509615 /nfs/dbraw/zinc/50/96/15/376509615.db2.gz YNWFIZKGQPIPAH-LZWOXQAQSA-N 1 2 293.411 1.684 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C[C@H](CC)O1 ZINC000420956598 376509624 /nfs/dbraw/zinc/50/96/24/376509624.db2.gz YNWFIZKGQPIPAH-LZWOXQAQSA-N 1 2 293.411 1.684 20 30 CDEDLO CCN(C)C(=O)CNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000331052166 376487961 /nfs/dbraw/zinc/48/79/61/376487961.db2.gz JCEVODCNMWFWIT-UHFFFAOYSA-N 1 2 288.351 1.665 20 30 CDEDLO C[C@@H]1CC[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000435443710 248169242 /nfs/dbraw/zinc/16/92/42/248169242.db2.gz PJAJUYRARKBIDQ-SNVBAGLBSA-N 1 2 299.421 1.334 20 30 CDEDLO C[C@@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000435443710 248169246 /nfs/dbraw/zinc/16/92/46/248169246.db2.gz PJAJUYRARKBIDQ-SNVBAGLBSA-N 1 2 299.421 1.334 20 30 CDEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NCC1CC1 ZINC000072691182 376800956 /nfs/dbraw/zinc/80/09/56/376800956.db2.gz ZZMBESREHDIMJN-UHFFFAOYSA-N 1 2 251.374 1.774 20 30 CDEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NCC1CC1 ZINC000072691182 376800967 /nfs/dbraw/zinc/80/09/67/376800967.db2.gz ZZMBESREHDIMJN-UHFFFAOYSA-N 1 2 251.374 1.774 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCc1ccccc1COC ZINC000072907069 377204653 /nfs/dbraw/zinc/20/46/53/377204653.db2.gz IVHPOVIBSQVCLS-UHFFFAOYSA-N 1 2 284.359 1.018 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCc1cccc(OCC)c1 ZINC000072906488 377206490 /nfs/dbraw/zinc/20/64/90/377206490.db2.gz DXINPULMXRUOKS-UHFFFAOYSA-N 1 2 284.359 1.270 20 30 CDEDLO CCC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000131599071 377688136 /nfs/dbraw/zinc/68/81/36/377688136.db2.gz KDSRTUCYOLPEOQ-QWHCGFSZSA-N 1 2 267.373 1.248 20 30 CDEDLO CCC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000131599071 377688149 /nfs/dbraw/zinc/68/81/49/377688149.db2.gz KDSRTUCYOLPEOQ-QWHCGFSZSA-N 1 2 267.373 1.248 20 30 CDEDLO N#CCCCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000078687917 377852546 /nfs/dbraw/zinc/85/25/46/377852546.db2.gz GIQBAXFWISTHNG-UHFFFAOYSA-N 1 2 264.373 1.228 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC000280634330 377969058 /nfs/dbraw/zinc/96/90/58/377969058.db2.gz ADZMEMKSLCVVST-DOMZBBRYSA-N 1 2 277.368 1.450 20 30 CDEDLO C=CCOc1ccccc1C(=O)NCc1[nH+]ccn1C ZINC000343301022 378018013 /nfs/dbraw/zinc/01/80/13/378018013.db2.gz QDIYOHKIYVBQAM-UHFFFAOYSA-N 1 2 271.320 1.915 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CC(C)(C)C)n2C)CC1 ZINC000282543084 378048494 /nfs/dbraw/zinc/04/84/94/378048494.db2.gz SOSPTKPVIQZRJY-UHFFFAOYSA-N 1 2 275.400 1.159 20 30 CDEDLO C[C@@H]1C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C[C@H](C)O1 ZINC000574693863 335040475 /nfs/dbraw/zinc/04/04/75/335040475.db2.gz DUBPJXWTLMETDE-OPDFLTKYSA-N 1 2 267.373 1.150 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289975573 378356286 /nfs/dbraw/zinc/35/62/86/378356286.db2.gz RKMRFNXWCKJRCE-CMPLNLGQSA-N 1 2 282.775 1.474 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289975573 378356290 /nfs/dbraw/zinc/35/62/90/378356290.db2.gz RKMRFNXWCKJRCE-CMPLNLGQSA-N 1 2 282.775 1.474 20 30 CDEDLO CC#CC[C@H](CO)NC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633591097 378571640 /nfs/dbraw/zinc/57/16/40/378571640.db2.gz YNMBRGVICKYHQM-CQSZACIVSA-N 1 2 283.331 1.581 20 30 CDEDLO C=CCOCC[N@@H+](C)Cc1ncnn1CC(F)F ZINC000294022731 378610700 /nfs/dbraw/zinc/61/07/00/378610700.db2.gz HNMWPLUPKFWZAI-UHFFFAOYSA-N 1 2 260.288 1.178 20 30 CDEDLO C=CCOCC[N@H+](C)Cc1ncnn1CC(F)F ZINC000294022731 378610705 /nfs/dbraw/zinc/61/07/05/378610705.db2.gz HNMWPLUPKFWZAI-UHFFFAOYSA-N 1 2 260.288 1.178 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1[nH+]ccn1CC ZINC000295888533 378699762 /nfs/dbraw/zinc/69/97/62/378699762.db2.gz YZKQDFWKHNCCSE-DGCLKSJQSA-N 1 2 263.341 1.500 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000682041674 483116146 /nfs/dbraw/zinc/11/61/46/483116146.db2.gz MKYPOBPQESRBTB-CMPLNLGQSA-N 1 2 294.317 1.720 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000682041674 483116149 /nfs/dbraw/zinc/11/61/49/483116149.db2.gz MKYPOBPQESRBTB-CMPLNLGQSA-N 1 2 294.317 1.720 20 30 CDEDLO C#CCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278855420 194184816 /nfs/dbraw/zinc/18/48/16/194184816.db2.gz USGBKIASGRMBPD-UHFFFAOYSA-N 1 2 286.379 1.742 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CCO[C@H](CC(=O)OC)C2)cc1 ZINC000278923482 194214413 /nfs/dbraw/zinc/21/44/13/194214413.db2.gz KRHHCESKMCDWRX-OAHLLOKOSA-N 1 2 273.332 1.432 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CCO[C@H](CC(=O)OC)C2)cc1 ZINC000278923482 194214415 /nfs/dbraw/zinc/21/44/15/194214415.db2.gz KRHHCESKMCDWRX-OAHLLOKOSA-N 1 2 273.332 1.432 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)/C=C\c2ccc(C#N)cc2)CCO1 ZINC000491413460 253080659 /nfs/dbraw/zinc/08/06/59/253080659.db2.gz FFYKOXMNFVIUJS-AFNCTOJWSA-N 1 2 299.374 1.408 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)/C=C\c2ccc(C#N)cc2)CCO1 ZINC000491413460 253080660 /nfs/dbraw/zinc/08/06/60/253080660.db2.gz FFYKOXMNFVIUJS-AFNCTOJWSA-N 1 2 299.374 1.408 20 30 CDEDLO Cc1cc(N2CC[C@H](OC(=O)N(C)C)C2)c(C#N)c[nH+]1 ZINC000497173907 254031944 /nfs/dbraw/zinc/03/19/44/254031944.db2.gz YLEUVUCSFLIZLL-LBPRGKRZSA-N 1 2 274.324 1.539 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnn(C(C)C)c2)C1=O ZINC000281250902 195167432 /nfs/dbraw/zinc/16/74/32/195167432.db2.gz MPKJMWHWUQTIEI-AWEZNQCLSA-N 1 2 276.384 1.683 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnn(C(C)C)c2)C1=O ZINC000281250902 195167433 /nfs/dbraw/zinc/16/74/33/195167433.db2.gz MPKJMWHWUQTIEI-AWEZNQCLSA-N 1 2 276.384 1.683 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnn(C=C)c2)C1=O ZINC000281306586 195189746 /nfs/dbraw/zinc/18/97/46/195189746.db2.gz QEGMNFJIYNVFCT-CYBMUJFWSA-N 1 2 260.341 1.202 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnn(C=C)c2)C1=O ZINC000281306586 195189747 /nfs/dbraw/zinc/18/97/47/195189747.db2.gz QEGMNFJIYNVFCT-CYBMUJFWSA-N 1 2 260.341 1.202 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)C[C@@](C)(O)C(F)(F)F)C1=O ZINC000281308377 195190777 /nfs/dbraw/zinc/19/07/77/195190777.db2.gz KIQODBKLGKBERB-MWLCHTKSSA-N 1 2 280.290 1.018 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)C[C@@](C)(O)C(F)(F)F)C1=O ZINC000281308377 195190778 /nfs/dbraw/zinc/19/07/78/195190778.db2.gz KIQODBKLGKBERB-MWLCHTKSSA-N 1 2 280.290 1.018 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnn(CC)c2)C1=O ZINC000281395515 195223012 /nfs/dbraw/zinc/22/30/12/195223012.db2.gz XDCSRPLJYCFOJY-CYBMUJFWSA-N 1 2 262.357 1.122 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnn(CC)c2)C1=O ZINC000281395515 195223014 /nfs/dbraw/zinc/22/30/14/195223014.db2.gz XDCSRPLJYCFOJY-CYBMUJFWSA-N 1 2 262.357 1.122 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2cc(C)on2)CC1 ZINC000370814233 390549072 /nfs/dbraw/zinc/54/90/72/390549072.db2.gz IRISIJHHRZOFCD-UHFFFAOYSA-N 1 2 283.759 1.930 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](CC)Cc1ccccn1 ZINC000119871601 390859274 /nfs/dbraw/zinc/85/92/74/390859274.db2.gz OFHLXADEFCOIGU-UHFFFAOYSA-N 1 2 274.368 1.666 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](CC)Cc1ccccn1 ZINC000119871601 390859276 /nfs/dbraw/zinc/85/92/76/390859276.db2.gz OFHLXADEFCOIGU-UHFFFAOYSA-N 1 2 274.368 1.666 20 30 CDEDLO NC(Cc1ccccc1Cl)=[NH+]OCCC1OCCO1 ZINC000120196444 390866124 /nfs/dbraw/zinc/86/61/24/390866124.db2.gz PCIFLKCQJSGXQN-UHFFFAOYSA-N 1 2 284.743 1.934 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000155221984 390917652 /nfs/dbraw/zinc/91/76/52/390917652.db2.gz VMKAVIULRLAMNW-MNOVXSKESA-N 1 2 282.388 1.481 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000155221984 390917653 /nfs/dbraw/zinc/91/76/53/390917653.db2.gz VMKAVIULRLAMNW-MNOVXSKESA-N 1 2 282.388 1.481 20 30 CDEDLO CC[N@@H+]1CCC[C@H](NC(=O)c2cnc3nccnc3c2)C1 ZINC000329512503 391001219 /nfs/dbraw/zinc/00/12/19/391001219.db2.gz LASSNYHWLXQHPR-LBPRGKRZSA-N 1 2 285.351 1.814 20 30 CDEDLO CC[N@H+]1CCC[C@H](NC(=O)c2cnc3nccnc3c2)C1 ZINC000329512503 391001226 /nfs/dbraw/zinc/00/12/26/391001226.db2.gz LASSNYHWLXQHPR-LBPRGKRZSA-N 1 2 285.351 1.814 20 30 CDEDLO CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)C2CC(O)C2)C1 ZINC000329508334 391001247 /nfs/dbraw/zinc/00/12/47/391001247.db2.gz JHFWYBIMGNTHGH-HIFPTAJRSA-N 1 2 269.389 1.087 20 30 CDEDLO CCC[N@H+]1CC[C@@H](CNC(=O)N(C)C2CC(O)C2)C1 ZINC000329508334 391001250 /nfs/dbraw/zinc/00/12/50/391001250.db2.gz JHFWYBIMGNTHGH-HIFPTAJRSA-N 1 2 269.389 1.087 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@@H](c2ccccn2)CC1=O ZINC000491417973 391119408 /nfs/dbraw/zinc/11/94/08/391119408.db2.gz OZDBGVCMASOQBI-OLZOCXBDSA-N 1 2 257.337 1.309 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@@H](c2ccccn2)CC1=O ZINC000491417973 391119412 /nfs/dbraw/zinc/11/94/12/391119412.db2.gz OZDBGVCMASOQBI-OLZOCXBDSA-N 1 2 257.337 1.309 20 30 CDEDLO CCC(C)(C)NC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352489925 391156062 /nfs/dbraw/zinc/15/60/62/391156062.db2.gz DZSVTFNPKDURNV-UHFFFAOYSA-N 1 2 255.337 1.619 20 30 CDEDLO C#CCN(C)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000491566935 391159317 /nfs/dbraw/zinc/15/93/17/391159317.db2.gz IWNQTNBIRQXVEH-LBPRGKRZSA-N 1 2 260.341 1.344 20 30 CDEDLO C=CCOCCCC(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000374375403 391160764 /nfs/dbraw/zinc/16/07/64/391160764.db2.gz QQUOXEYRJYBTRA-HNNXBMFYSA-N 1 2 289.379 1.537 20 30 CDEDLO CC[C@H](C)NC(=O)[C@H](C)O[NH+]=C(N)c1ccc(OC)cc1 ZINC000178140473 391182177 /nfs/dbraw/zinc/18/21/77/391182177.db2.gz YYNFIIJLEFIBJD-QWRGUYRKSA-N 1 2 293.367 1.635 20 30 CDEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1nccs1 ZINC000269445092 391248835 /nfs/dbraw/zinc/24/88/35/391248835.db2.gz AIWFPLGSTWHMID-SECBINFHSA-N 1 2 257.359 1.993 20 30 CDEDLO N#CCCN(CCC#N)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000376098957 391213751 /nfs/dbraw/zinc/21/37/51/391213751.db2.gz UNYYJRAYCPYMMR-LBPRGKRZSA-N 1 2 271.324 1.101 20 30 CDEDLO C=C(C)C[N@H+](CC(N)=O)Cc1cnn(C(C)C)c1 ZINC000352899849 391309313 /nfs/dbraw/zinc/30/93/13/391309313.db2.gz FRWSXUWGARKJGT-UHFFFAOYSA-N 1 2 250.346 1.327 20 30 CDEDLO C=C(C)C[N@@H+](CC(N)=O)Cc1cnn(C(C)C)c1 ZINC000352899849 391309314 /nfs/dbraw/zinc/30/93/14/391309314.db2.gz FRWSXUWGARKJGT-UHFFFAOYSA-N 1 2 250.346 1.327 20 30 CDEDLO C[C@H](C#N)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000345831768 391319097 /nfs/dbraw/zinc/31/90/97/391319097.db2.gz CFWJWOSAZFFBGD-NEPJUHHUSA-N 1 2 288.351 1.083 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000330366063 391406113 /nfs/dbraw/zinc/40/61/13/391406113.db2.gz KYZGQLRNJDNCRC-GXTWGEPZSA-N 1 2 279.384 1.248 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000330366063 391406116 /nfs/dbraw/zinc/40/61/16/391406116.db2.gz KYZGQLRNJDNCRC-GXTWGEPZSA-N 1 2 279.384 1.248 20 30 CDEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CC(C)(OC)C1 ZINC000353054389 391342813 /nfs/dbraw/zinc/34/28/13/391342813.db2.gz WXSBQIVRSYQCNY-OAHLLOKOSA-N 1 2 291.391 1.876 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCCOc1ccc(Cl)cc1 ZINC000339761210 391351139 /nfs/dbraw/zinc/35/11/39/391351139.db2.gz OXJMUQXTUONOKI-UHFFFAOYSA-N 1 2 294.782 1.790 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCCOc1ccc(Cl)cc1 ZINC000339761210 391351141 /nfs/dbraw/zinc/35/11/41/391351141.db2.gz OXJMUQXTUONOKI-UHFFFAOYSA-N 1 2 294.782 1.790 20 30 CDEDLO C=CC1CCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000110595482 391357362 /nfs/dbraw/zinc/35/73/62/391357362.db2.gz DGQVAKRMRLKPJL-CQSZACIVSA-N 1 2 288.395 1.840 20 30 CDEDLO C=CC1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000110595482 391357363 /nfs/dbraw/zinc/35/73/63/391357363.db2.gz DGQVAKRMRLKPJL-CQSZACIVSA-N 1 2 288.395 1.840 20 30 CDEDLO CCN(CC)C(=O)N1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000411132853 391394646 /nfs/dbraw/zinc/39/46/46/391394646.db2.gz ZDCKXTRXDZUJCF-CYBMUJFWSA-N 1 2 266.389 1.758 20 30 CDEDLO CO[C@@H]1CCC[C@H]1CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000329629789 391450316 /nfs/dbraw/zinc/45/03/16/391450316.db2.gz VFZJBYHSHQSSCX-WCQYABFASA-N 1 2 278.356 1.428 20 30 CDEDLO CO[C@@H]1CCC[C@H]1C[NH+]=C([O-])N1CCn2c[nH+]cc2C1 ZINC000329629789 391450320 /nfs/dbraw/zinc/45/03/20/391450320.db2.gz VFZJBYHSHQSSCX-WCQYABFASA-N 1 2 278.356 1.428 20 30 CDEDLO N#CC1CCN(C([O-])=[NH+]CCCn2cc[nH+]c2)CC1 ZINC000330648778 391454581 /nfs/dbraw/zinc/45/45/81/391454581.db2.gz VZMKCOGTJSIKOM-UHFFFAOYSA-N 1 2 261.329 1.423 20 30 CDEDLO N#CC1CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000330648778 391454584 /nfs/dbraw/zinc/45/45/84/391454584.db2.gz VZMKCOGTJSIKOM-UHFFFAOYSA-N 1 2 261.329 1.423 20 30 CDEDLO CCN1CCN(c2ccnc(C#N)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000567498778 391510835 /nfs/dbraw/zinc/51/08/35/391510835.db2.gz ORGHVKVAJPVDII-AWEZNQCLSA-N 1 2 282.351 1.560 20 30 CDEDLO CC(C)(C(=O)NC[C@H]1CCCCO1)[NH+]1CCOCC1 ZINC000328752310 391546591 /nfs/dbraw/zinc/54/65/91/391546591.db2.gz RWFJMVDSFZQUPU-GFCCVEGCSA-N 1 2 270.373 1.623 20 30 CDEDLO C=C(C)COCCNc1cc(NCC2CC2)[nH+]cn1 ZINC000340022211 391627461 /nfs/dbraw/zinc/62/74/61/391627461.db2.gz HQEWMUPMDANPAR-UHFFFAOYSA-N 1 2 262.357 1.725 20 30 CDEDLO C=C(C)COCCNc1cc(NCC2CC2)nc[nH+]1 ZINC000340022211 391627465 /nfs/dbraw/zinc/62/74/65/391627465.db2.gz HQEWMUPMDANPAR-UHFFFAOYSA-N 1 2 262.357 1.725 20 30 CDEDLO CCc1nocc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000350115513 391597053 /nfs/dbraw/zinc/59/70/53/391597053.db2.gz BDFYCSJALOFPPI-UHFFFAOYSA-N 1 2 292.383 1.285 20 30 CDEDLO CCCCN(C)C(=O)C1CC[NH+](CCC#N)CC1 ZINC000049752217 391648425 /nfs/dbraw/zinc/64/84/25/391648425.db2.gz KIMZEMWVWFMMOR-UHFFFAOYSA-N 1 2 251.374 1.871 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2c2cc[nH]n2)C1=O ZINC000285404104 391716488 /nfs/dbraw/zinc/71/64/88/391716488.db2.gz PARZSDKDLWZMEH-UONOGXRCSA-N 1 2 274.368 1.724 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2c2cc[nH]n2)C1=O ZINC000285404104 391716491 /nfs/dbraw/zinc/71/64/91/391716491.db2.gz PARZSDKDLWZMEH-UONOGXRCSA-N 1 2 274.368 1.724 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000280572105 391655681 /nfs/dbraw/zinc/65/56/81/391655681.db2.gz LRVKICMTVQHTTE-LLVKDONJSA-N 1 2 269.370 1.843 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1cc(F)cc(F)c1 ZINC000519646395 391681079 /nfs/dbraw/zinc/68/10/79/391681079.db2.gz HDFKMKZYIBZQGZ-CQSZACIVSA-N 1 2 297.305 1.304 20 30 CDEDLO C#CCCCC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000191957734 391709889 /nfs/dbraw/zinc/70/98/89/391709889.db2.gz IJROOWCLNMZOET-UHFFFAOYSA-N 1 2 263.366 1.873 20 30 CDEDLO C#CCCCC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000191957734 391709893 /nfs/dbraw/zinc/70/98/93/391709893.db2.gz IJROOWCLNMZOET-UHFFFAOYSA-N 1 2 263.366 1.873 20 30 CDEDLO CCOC[C@@H](O)C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341822051 130058131 /nfs/dbraw/zinc/05/81/31/130058131.db2.gz WTWHNJJLTBRRFF-HOTGVXAUSA-N 1 2 290.363 1.329 20 30 CDEDLO CCOC[C@@H](O)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341822051 130058132 /nfs/dbraw/zinc/05/81/32/130058132.db2.gz WTWHNJJLTBRRFF-HOTGVXAUSA-N 1 2 290.363 1.329 20 30 CDEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000189549324 391769154 /nfs/dbraw/zinc/76/91/54/391769154.db2.gz NGXLNAYWHWGZBH-UONOGXRCSA-N 1 2 274.320 1.057 20 30 CDEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000189549324 391769159 /nfs/dbraw/zinc/76/91/59/391769159.db2.gz NGXLNAYWHWGZBH-UONOGXRCSA-N 1 2 274.320 1.057 20 30 CDEDLO CN(C[C@@H]1CCC[C@@H]1O)C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329747527 391769201 /nfs/dbraw/zinc/76/92/01/391769201.db2.gz SMJLSUZWDYHARU-MJVIPROJSA-N 1 2 292.383 1.274 20 30 CDEDLO CN(C[C@@H]1CCC[C@@H]1O)C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329747527 391769208 /nfs/dbraw/zinc/76/92/08/391769208.db2.gz SMJLSUZWDYHARU-MJVIPROJSA-N 1 2 292.383 1.274 20 30 CDEDLO CCCN1CCC[N@H+](Cc2cc(C#N)n(C)c2)CC1=O ZINC000191543791 130253195 /nfs/dbraw/zinc/25/31/95/130253195.db2.gz YYYKPBJYWYCXCI-UHFFFAOYSA-N 1 2 274.368 1.341 20 30 CDEDLO CCCN1CCC[N@@H+](Cc2cc(C#N)n(C)c2)CC1=O ZINC000191543791 130253197 /nfs/dbraw/zinc/25/31/97/130253197.db2.gz YYYKPBJYWYCXCI-UHFFFAOYSA-N 1 2 274.368 1.341 20 30 CDEDLO CC1(C)C[N@H+](Cc2ccccc2C#N)C[C@@H](CO)O1 ZINC000163117690 391902564 /nfs/dbraw/zinc/90/25/64/391902564.db2.gz KPFMCUITPHCXQZ-AWEZNQCLSA-N 1 2 260.337 1.530 20 30 CDEDLO CC1(C)C[N@@H+](Cc2ccccc2C#N)C[C@@H](CO)O1 ZINC000163117690 391902566 /nfs/dbraw/zinc/90/25/66/391902566.db2.gz KPFMCUITPHCXQZ-AWEZNQCLSA-N 1 2 260.337 1.530 20 30 CDEDLO CCN1CC[N@H+](CCOc2cccc(C#N)c2)[C@@H](C)C1=O ZINC000495264953 391907529 /nfs/dbraw/zinc/90/75/29/391907529.db2.gz ZHJPGCDDGQRORL-ZDUSSCGKSA-N 1 2 287.363 1.490 20 30 CDEDLO CCN1CC[N@@H+](CCOc2cccc(C#N)c2)[C@@H](C)C1=O ZINC000495264953 391907535 /nfs/dbraw/zinc/90/75/35/391907535.db2.gz ZHJPGCDDGQRORL-ZDUSSCGKSA-N 1 2 287.363 1.490 20 30 CDEDLO Cc1ccc(NC(=O)C(=O)N(C)CC(C)(C)C#N)c(C)[nH+]1 ZINC000342941970 392065038 /nfs/dbraw/zinc/06/50/38/392065038.db2.gz FWOKRYSOXFVXGV-UHFFFAOYSA-N 1 2 288.351 1.645 20 30 CDEDLO C[C@H]([NH2+][C@@H](C)c1ccn(C)n1)C(=O)Nc1ccccc1C#N ZINC000459798802 392507205 /nfs/dbraw/zinc/50/72/05/392507205.db2.gz UQEOWDIYPPKXHX-RYUDHWBXSA-N 1 2 297.362 1.970 20 30 CDEDLO C=C[C@@H](O)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000646627628 392602639 /nfs/dbraw/zinc/60/26/39/392602639.db2.gz XZQWHGDVMWFIEY-OLZOCXBDSA-N 1 2 289.310 1.312 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Nc1ncc2c(c1C#N)CCC2 ZINC000515833973 392793479 /nfs/dbraw/zinc/79/34/79/392793479.db2.gz GZLMVIURFIWNHN-LBPRGKRZSA-N 1 2 286.379 1.575 20 30 CDEDLO C[C@@H]1C[N@@H+](CCN(C)c2ncc(C#N)cc2F)C[C@H](C)O1 ZINC000413265370 392832100 /nfs/dbraw/zinc/83/21/00/392832100.db2.gz KZAAZPIADUHQNJ-TXEJJXNPSA-N 1 2 292.358 1.638 20 30 CDEDLO C[C@@H]1C[N@H+](CCN(C)c2ncc(C#N)cc2F)C[C@H](C)O1 ZINC000413265370 392832105 /nfs/dbraw/zinc/83/21/05/392832105.db2.gz KZAAZPIADUHQNJ-TXEJJXNPSA-N 1 2 292.358 1.638 20 30 CDEDLO Cc1cc(NCc2cccc(N(C)C)n2)c(C#N)c[nH+]1 ZINC000425244109 393002393 /nfs/dbraw/zinc/00/23/93/393002393.db2.gz GYIQZYYKJIBJKP-UHFFFAOYSA-N 1 2 267.336 1.757 20 30 CDEDLO CC(C)N1CC[NH+]([C@H]2CCN(c3cccc(C#N)n3)C2)CC1 ZINC000533684269 393084824 /nfs/dbraw/zinc/08/48/24/393084824.db2.gz WEUOVSRRIXFVNG-INIZCTEOSA-N 1 2 299.422 1.558 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCn2ncnc2C1 ZINC000332608595 393154232 /nfs/dbraw/zinc/15/42/32/393154232.db2.gz JWMCMJUJFKDEKL-UHFFFAOYSA-N 1 2 269.308 1.174 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCn2ncnc2C1 ZINC000332608595 393154237 /nfs/dbraw/zinc/15/42/37/393154237.db2.gz JWMCMJUJFKDEKL-UHFFFAOYSA-N 1 2 269.308 1.174 20 30 CDEDLO N#Cc1cccnc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000045026579 134912971 /nfs/dbraw/zinc/91/29/71/134912971.db2.gz SSSNRMAQVXORRP-UHFFFAOYSA-N 1 2 295.346 1.797 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCn1cc(C#N)c(=O)c2ccccc21 ZINC000193490050 140145383 /nfs/dbraw/zinc/14/53/83/140145383.db2.gz LGGZKEMQIMSDGJ-ZDUSSCGKSA-N 1 2 297.358 1.594 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCn1cc(C#N)c(=O)c2ccccc21 ZINC000193490050 140145384 /nfs/dbraw/zinc/14/53/84/140145384.db2.gz LGGZKEMQIMSDGJ-ZDUSSCGKSA-N 1 2 297.358 1.594 20 30 CDEDLO CO[C@](C)(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000329610393 286133435 /nfs/dbraw/zinc/13/34/35/286133435.db2.gz JJMRUTFZSNJPHH-RISCZKNCSA-N 1 2 263.341 1.970 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)CNc1ccc(C#N)cc1 ZINC000343289355 152105187 /nfs/dbraw/zinc/10/51/87/152105187.db2.gz SYYLDTSMVDGYOR-UHFFFAOYSA-N 1 2 269.308 1.020 20 30 CDEDLO N#Cc1csc(C[NH2+]Cc2nnnn2-c2ccccc2)c1 ZINC000343888808 152341425 /nfs/dbraw/zinc/34/14/25/152341425.db2.gz KRTDQIACSICPJE-UHFFFAOYSA-N 1 2 296.359 1.885 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1 ZINC000352672246 155350129 /nfs/dbraw/zinc/35/01/29/155350129.db2.gz SBYBLIFQJSSOSZ-HZPDHXFCSA-N 1 2 272.348 1.938 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1 ZINC000352672246 155350132 /nfs/dbraw/zinc/35/01/32/155350132.db2.gz SBYBLIFQJSSOSZ-HZPDHXFCSA-N 1 2 272.348 1.938 20 30 CDEDLO CC(C)c1nnc([C@@H](C)[NH2+]Cc2cc(C#N)n(C)c2)[nH]1 ZINC000359669431 158329608 /nfs/dbraw/zinc/32/96/08/158329608.db2.gz CZHMNJYWCVMCFC-SNVBAGLBSA-N 1 2 272.356 1.989 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000285606860 196342074 /nfs/dbraw/zinc/34/20/74/196342074.db2.gz KCNLGTPMWUZOIZ-CYBMUJFWSA-N 1 2 292.383 1.940 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000285606860 196342076 /nfs/dbraw/zinc/34/20/76/196342076.db2.gz KCNLGTPMWUZOIZ-CYBMUJFWSA-N 1 2 292.383 1.940 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000043784083 175105664 /nfs/dbraw/zinc/10/56/64/175105664.db2.gz KLNRYVHUVPVTET-NSHDSACASA-N 1 2 275.308 1.165 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000043784083 175105666 /nfs/dbraw/zinc/10/56/66/175105666.db2.gz KLNRYVHUVPVTET-NSHDSACASA-N 1 2 275.308 1.165 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(CCn3cccn3)CC2)cc1 ZINC000071824658 176271249 /nfs/dbraw/zinc/27/12/49/176271249.db2.gz UNASHYOOZFCVPM-UHFFFAOYSA-N 1 2 295.390 1.573 20 30 CDEDLO C=CC1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000171907118 335084426 /nfs/dbraw/zinc/08/44/26/335084426.db2.gz HCXVPNADCOXLEP-UHFFFAOYSA-N 1 2 295.427 1.705 20 30 CDEDLO C=CC1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000171907118 335084428 /nfs/dbraw/zinc/08/44/28/335084428.db2.gz HCXVPNADCOXLEP-UHFFFAOYSA-N 1 2 295.427 1.705 20 30 CDEDLO O=C(NCCC1(O)CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329136110 227319271 /nfs/dbraw/zinc/31/92/71/227319271.db2.gz GRVBYEDLLRIUPU-LLVKDONJSA-N 1 2 263.341 1.707 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)N[C@]1(C)CCCOC1)[NH+]1CCOCC1 ZINC000329160966 227333346 /nfs/dbraw/zinc/33/33/46/227333346.db2.gz YQIHQJLEZKJMOU-GZBFAFLISA-N 1 2 299.415 1.168 20 30 CDEDLO N#CC1CC[NH+](Cc2cn(Cc3cccnc3)nn2)CC1 ZINC000331434797 228100406 /nfs/dbraw/zinc/10/04/06/228100406.db2.gz GNLMOKXGKMELMG-UHFFFAOYSA-N 1 2 282.351 1.457 20 30 CDEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)N[C@@H]1CCCC[C@H]1O ZINC000330152088 228050417 /nfs/dbraw/zinc/05/04/17/228050417.db2.gz LSJHEIJVLDDRSJ-JHJVBQTASA-N 1 2 292.383 1.568 20 30 CDEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC(=O)Nc2ccccc21 ZINC000331817310 228130848 /nfs/dbraw/zinc/13/08/48/228130848.db2.gz XCUNLWACPKWXLD-NEPJUHHUSA-N 1 2 298.346 1.254 20 30 CDEDLO C=CCCC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000363455185 260262406 /nfs/dbraw/zinc/26/24/06/260262406.db2.gz WVHAMKAIEDINCY-AWEZNQCLSA-N 1 2 284.425 1.277 20 30 CDEDLO NC(CN1CCOCC1)=[NH+]OCc1ccccc1Cl ZINC000078639941 260301550 /nfs/dbraw/zinc/30/15/50/260301550.db2.gz DXPHYQOBMQPFBF-UHFFFAOYSA-N 1 2 283.759 1.461 20 30 CDEDLO C[C@@H](O[NH+]=C(N)CCO)C(=O)NCc1ccc(Cl)cc1 ZINC000121388195 260709741 /nfs/dbraw/zinc/70/97/41/260709741.db2.gz LMJMIOZEVGJOLF-SECBINFHSA-N 1 2 299.758 1.016 20 30 CDEDLO COc1ccc(CC(N)=[NH+]OCC(=O)NCC2CC2)cc1 ZINC000154262841 261089782 /nfs/dbraw/zinc/08/97/82/261089782.db2.gz FHWWVEWMILJOCZ-UHFFFAOYSA-N 1 2 291.351 1.053 20 30 CDEDLO CC1(C)CCCN(CC[NH+]2CCOCC2)[C@H]1C#N ZINC000444719713 261127184 /nfs/dbraw/zinc/12/71/84/261127184.db2.gz RGMHQTDGFOCUKW-ZDUSSCGKSA-N 1 2 251.374 1.333 20 30 CDEDLO CCNC(=O)C(C)(C)C/[NH+]=C/c1cc(OC)ccc1O ZINC000157190818 261142265 /nfs/dbraw/zinc/14/22/65/261142265.db2.gz LMUGZTKPNORBJG-CXUHLZMHSA-N 1 2 278.352 1.982 20 30 CDEDLO C#CCN(CC)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000490668942 261179115 /nfs/dbraw/zinc/17/91/15/261179115.db2.gz CMSGBXFFEMURKT-UHFFFAOYSA-N 1 2 253.305 1.968 20 30 CDEDLO C#CCN(CC#N)C(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000490986425 261281450 /nfs/dbraw/zinc/28/14/50/261281450.db2.gz RQKLAVNSLZIHMZ-UHFFFAOYSA-N 1 2 278.315 1.780 20 30 CDEDLO C#C[C@H](NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1)C(C)C ZINC000491221065 261375698 /nfs/dbraw/zinc/37/56/98/261375698.db2.gz SLVPCVAQDITGMA-STQMWFEESA-N 1 2 274.368 1.828 20 30 CDEDLO N#CCC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000185574213 262059656 /nfs/dbraw/zinc/05/96/56/262059656.db2.gz AXWUWZDHSWMCJB-UHFFFAOYSA-N 1 2 272.352 1.992 20 30 CDEDLO Cc1nc(CC(N)=[NH+]OCC[C@@H]2CCCO2)cs1 ZINC000189251096 262169761 /nfs/dbraw/zinc/16/97/61/262169761.db2.gz XIXJUKRMZPJBBF-NSHDSACASA-N 1 2 269.370 1.852 20 30 CDEDLO C=CCOCC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000354821979 262296364 /nfs/dbraw/zinc/29/63/64/262296364.db2.gz NQKMDYKQYZBWPK-UHFFFAOYSA-N 1 2 278.352 1.868 20 30 CDEDLO CC(=O)c1ccc(F)cc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414150037 262811067 /nfs/dbraw/zinc/81/10/67/262811067.db2.gz VHTMUIDLMIKZAY-CYBMUJFWSA-N 1 2 294.326 1.613 20 30 CDEDLO CC(=O)c1ccc(F)cc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414150037 262811068 /nfs/dbraw/zinc/81/10/68/262811068.db2.gz VHTMUIDLMIKZAY-CYBMUJFWSA-N 1 2 294.326 1.613 20 30 CDEDLO N#CCC(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000274738974 263029725 /nfs/dbraw/zinc/02/97/25/263029725.db2.gz CQPYUDUGQLHYBD-UHFFFAOYSA-N 1 2 294.358 1.924 20 30 CDEDLO CSc1cccc(NC(=O)CO[NH+]=C(N)CCO)c1 ZINC000275429686 263033311 /nfs/dbraw/zinc/03/33/11/263033311.db2.gz FXEKPKYIZJCNFN-UHFFFAOYSA-N 1 2 283.353 1.018 20 30 CDEDLO NC(COc1cccc(F)c1)=[NH+]OCCC1OCCCO1 ZINC000275456058 263033375 /nfs/dbraw/zinc/03/33/75/263033375.db2.gz JLIJDBANOQECJP-UHFFFAOYSA-N 1 2 298.314 1.646 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)CC[S@]1=O ZINC000277210405 263040221 /nfs/dbraw/zinc/04/02/21/263040221.db2.gz NGVSABCCNBNIGH-KZULUSFZSA-N 1 2 262.378 1.901 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)CC[S@]1=O ZINC000277210405 263040222 /nfs/dbraw/zinc/04/02/22/263040222.db2.gz NGVSABCCNBNIGH-KZULUSFZSA-N 1 2 262.378 1.901 20 30 CDEDLO CC1(C#N)CN(C(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000280460860 263061825 /nfs/dbraw/zinc/06/18/25/263061825.db2.gz LWHXWAIHOSWNAO-UHFFFAOYSA-N 1 2 299.374 1.504 20 30 CDEDLO N#CC1CCC(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC000282833711 263079059 /nfs/dbraw/zinc/07/90/59/263079059.db2.gz VUQUTCHYXLCSRQ-UHFFFAOYSA-N 1 2 260.341 1.719 20 30 CDEDLO NC(=[NH+]OCc1c(F)cccc1F)[C@H]1CCCO1 ZINC000284621531 263087592 /nfs/dbraw/zinc/08/75/92/263087592.db2.gz ZPMLMBQKEYNVPC-LLVKDONJSA-N 1 2 256.252 1.933 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2occc2C(=O)OC)CC1 ZINC000341981701 263369840 /nfs/dbraw/zinc/36/98/40/263369840.db2.gz GBTAWJJOSJPWIY-UHFFFAOYSA-N 1 2 292.335 1.818 20 30 CDEDLO CC#CCCCC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000342051745 263383947 /nfs/dbraw/zinc/38/39/47/263383947.db2.gz UMMDUTINUAVZHM-UHFFFAOYSA-N 1 2 288.395 1.258 20 30 CDEDLO Cc1ccc(F)c(C(=O)N[C@H](CO)C[NH+]2CCOCC2)c1 ZINC000330444924 263953472 /nfs/dbraw/zinc/95/34/72/263953472.db2.gz GMZJILXYXPJWDO-LBPRGKRZSA-N 1 2 296.342 1.132 20 30 CDEDLO CC(C)[C@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CCO1 ZINC000330750725 264029437 /nfs/dbraw/zinc/02/94/37/264029437.db2.gz WMPXWCHMOZQPOD-HIFRSBDPSA-N 1 2 281.400 1.398 20 30 CDEDLO CC(C)[C@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CCO1 ZINC000330750725 264029438 /nfs/dbraw/zinc/02/94/38/264029438.db2.gz WMPXWCHMOZQPOD-HIFRSBDPSA-N 1 2 281.400 1.398 20 30 CDEDLO Cc1[nH]c(C(=O)N[C@@H](CCO)C2CCOCC2)c[nH+]1 ZINC000330896910 264078308 /nfs/dbraw/zinc/07/83/08/264078308.db2.gz LQXATJGWUKFQLP-NSHDSACASA-N 1 2 267.329 1.200 20 30 CDEDLO Cc1cc(F)cc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)c1 ZINC000331248239 264180072 /nfs/dbraw/zinc/18/00/72/264180072.db2.gz WLESVSDQCVOKAV-CQSZACIVSA-N 1 2 296.342 1.132 20 30 CDEDLO Cc1cccc(C(=O)NCC[N@H+]2CCOC[C@H]2C)c1O ZINC000331248612 264180415 /nfs/dbraw/zinc/18/04/15/264180415.db2.gz XDROQJOCCRGLRG-GFCCVEGCSA-N 1 2 278.352 1.726 20 30 CDEDLO Cc1cccc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)c1O ZINC000331248612 264180417 /nfs/dbraw/zinc/18/04/17/264180417.db2.gz XDROQJOCCRGLRG-GFCCVEGCSA-N 1 2 278.352 1.726 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000131193005 264367303 /nfs/dbraw/zinc/36/73/03/264367303.db2.gz TZXUNNSZIZFADV-RYUDHWBXSA-N 1 2 260.341 1.454 20 30 CDEDLO C=CC[N@H+](Cc1ncnn1CCF)[C@@H](C)COC ZINC000661241459 424073703 /nfs/dbraw/zinc/07/37/03/424073703.db2.gz YMCHSHHSAHDYMG-NSHDSACASA-N 1 2 256.325 1.271 20 30 CDEDLO C=CC[N@@H+](Cc1ncnn1CCF)[C@@H](C)COC ZINC000661241459 424073712 /nfs/dbraw/zinc/07/37/12/424073712.db2.gz YMCHSHHSAHDYMG-NSHDSACASA-N 1 2 256.325 1.271 20 30 CDEDLO CCOCCCNC(=O)[C@H](C)[N@H+](CC)C[C@@H](C)C#N ZINC000356481507 266123103 /nfs/dbraw/zinc/12/31/03/266123103.db2.gz TWRQHLCNBGCBOJ-STQMWFEESA-N 1 2 269.389 1.399 20 30 CDEDLO CCOCCCNC(=O)[C@H](C)[N@@H+](CC)C[C@@H](C)C#N ZINC000356481507 266123108 /nfs/dbraw/zinc/12/31/08/266123108.db2.gz TWRQHLCNBGCBOJ-STQMWFEESA-N 1 2 269.389 1.399 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000357375933 266286145 /nfs/dbraw/zinc/28/61/45/266286145.db2.gz PIETWIGQLIMAEL-CYBMUJFWSA-N 1 2 281.400 1.010 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000357375933 266286146 /nfs/dbraw/zinc/28/61/46/266286146.db2.gz PIETWIGQLIMAEL-CYBMUJFWSA-N 1 2 281.400 1.010 20 30 CDEDLO CCOC[C@H]1C[N@H+](Cc2cc(C#N)ccc2OC)CCO1 ZINC000528725018 267141679 /nfs/dbraw/zinc/14/16/79/267141679.db2.gz NWYIYOYPIPBHOI-OAHLLOKOSA-N 1 2 290.363 1.804 20 30 CDEDLO CCOC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2OC)CCO1 ZINC000528725018 267141681 /nfs/dbraw/zinc/14/16/81/267141681.db2.gz NWYIYOYPIPBHOI-OAHLLOKOSA-N 1 2 290.363 1.804 20 30 CDEDLO N#CC1(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)CCC1 ZINC000368820699 267207271 /nfs/dbraw/zinc/20/72/71/267207271.db2.gz CQXNWHNETDZJCZ-CYBMUJFWSA-N 1 2 284.363 1.860 20 30 CDEDLO Cc1cc(N2CCN(c3ncccn3)CC2)c(C#N)c[nH+]1 ZINC000399384415 267339366 /nfs/dbraw/zinc/33/93/66/267339366.db2.gz KHRKBGABQNDKER-UHFFFAOYSA-N 1 2 280.335 1.378 20 30 CDEDLO C#C[C@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)C(C)C ZINC000374197953 267761441 /nfs/dbraw/zinc/76/14/41/267761441.db2.gz IBNGCTSQZYEXNB-OLZOCXBDSA-N 1 2 274.368 1.577 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[S@@](=O)C1 ZINC000335697406 288211791 /nfs/dbraw/zinc/21/17/91/288211791.db2.gz PJBZKXDSNNKZAF-KZULUSFZSA-N 1 2 262.378 1.759 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[S@@](=O)C1 ZINC000335697406 288211793 /nfs/dbraw/zinc/21/17/93/288211793.db2.gz PJBZKXDSNNKZAF-KZULUSFZSA-N 1 2 262.378 1.759 20 30 CDEDLO CC1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC[C@@H]1O ZINC000329750471 281146020 /nfs/dbraw/zinc/14/60/20/281146020.db2.gz VAFIGXKUUOLVQF-MFKMUULPSA-N 1 2 292.383 1.274 20 30 CDEDLO CC1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC[C@@H]1O ZINC000329750471 281146021 /nfs/dbraw/zinc/14/60/21/281146021.db2.gz VAFIGXKUUOLVQF-MFKMUULPSA-N 1 2 292.383 1.274 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)NCCCn1cc[nH+]c1 ZINC000558786690 290425388 /nfs/dbraw/zinc/42/53/88/290425388.db2.gz VZOFEOCZKCNKOD-UHFFFAOYSA-N 1 2 269.308 1.278 20 30 CDEDLO Cc1n[nH]cc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000247284075 293136702 /nfs/dbraw/zinc/13/67/02/293136702.db2.gz YSZZVFQSVHJEET-LLVKDONJSA-N 1 2 297.366 1.091 20 30 CDEDLO Cc1n[nH]cc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000247284075 293136708 /nfs/dbraw/zinc/13/67/08/293136708.db2.gz YSZZVFQSVHJEET-LLVKDONJSA-N 1 2 297.366 1.091 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3cccnn3)CC2)nc1 ZINC000562371920 293145964 /nfs/dbraw/zinc/14/59/64/293145964.db2.gz GBXGZZWRBPFMDC-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO N#Cc1cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)ncn1 ZINC000565458854 293615314 /nfs/dbraw/zinc/61/53/14/293615314.db2.gz TWWORRPGKWYUSP-CYBMUJFWSA-N 1 2 267.292 1.401 20 30 CDEDLO Cc1cnn(C)c1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000571022983 294351512 /nfs/dbraw/zinc/35/15/12/294351512.db2.gz NUZLWKCJMJUCQM-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180298413 298136487 /nfs/dbraw/zinc/13/64/87/298136487.db2.gz PIBJVJHHHHNFFC-HZSPNIEDSA-N 1 2 293.411 1.827 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180298413 298136490 /nfs/dbraw/zinc/13/64/90/298136490.db2.gz PIBJVJHHHHNFFC-HZSPNIEDSA-N 1 2 293.411 1.827 20 30 CDEDLO CC1CC(C#N)(C(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000531808400 328036522 /nfs/dbraw/zinc/03/65/22/328036522.db2.gz KJMIXAFGAYAWTG-UHFFFAOYSA-N 1 2 298.390 1.666 20 30 CDEDLO CC[C@@H](C#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000265919381 328167191 /nfs/dbraw/zinc/16/71/91/328167191.db2.gz UGIDAKKGURMYLY-LSDHHAIUSA-N 1 2 287.363 1.306 20 30 CDEDLO CC[C@@H](C#N)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000265919381 328167192 /nfs/dbraw/zinc/16/71/92/328167192.db2.gz UGIDAKKGURMYLY-LSDHHAIUSA-N 1 2 287.363 1.306 20 30 CDEDLO CCCCc1nc(CO[NH+]=C(N)[C@@H]2CCCO2)no1 ZINC000284458190 328246134 /nfs/dbraw/zinc/24/61/34/328246134.db2.gz QMNVZTZXIWIRKX-VIFPVBQESA-N 1 2 268.317 1.380 20 30 CDEDLO CCc1noc([C@H](C)O[NH+]=C(N)[C@H]2CCCO2)n1 ZINC000284614986 328246528 /nfs/dbraw/zinc/24/65/28/328246528.db2.gz ZFROOWUVLDPKQN-JGVFFNPUSA-N 1 2 254.290 1.161 20 30 CDEDLO CNc1ccc(Nc2ccc(C(=O)OC)nc2C#N)c[nH+]1 ZINC000578366717 323912637 /nfs/dbraw/zinc/91/26/37/323912637.db2.gz QFUMMZAJBZNPIH-UHFFFAOYSA-N 1 2 283.291 1.342 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)N[C@H](C)C[S@@](C)=O)cc2n1C ZINC000331036301 328474837 /nfs/dbraw/zinc/47/48/37/328474837.db2.gz BDYHPSMEXLOIPU-GSDQLPOLSA-N 1 2 293.392 1.953 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1cc(F)ccc1F ZINC000563852019 328525737 /nfs/dbraw/zinc/52/57/37/328525737.db2.gz AMHSLJLJXBHGGR-HNNXBMFYSA-N 1 2 295.333 1.857 20 30 CDEDLO Cc1ncc(C[N@@H+](C)Cc2cnc3c(C#N)cnn3c2)s1 ZINC000584232611 327071186 /nfs/dbraw/zinc/07/11/86/327071186.db2.gz CMGLXONCTAMXTM-UHFFFAOYSA-N 1 2 298.375 1.998 20 30 CDEDLO Cc1ncc(C[N@H+](C)Cc2cnc3c(C#N)cnn3c2)s1 ZINC000584232611 327071187 /nfs/dbraw/zinc/07/11/87/327071187.db2.gz CMGLXONCTAMXTM-UHFFFAOYSA-N 1 2 298.375 1.998 20 30 CDEDLO C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccccc1 ZINC000569977695 327559241 /nfs/dbraw/zinc/55/92/41/327559241.db2.gz OPNMZQPFGLOFJI-WFASDCNBSA-N 1 2 259.353 1.750 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1Nc1nc(NC)c2ccccc2[nH+]1 ZINC000582341721 328964893 /nfs/dbraw/zinc/96/48/93/328964893.db2.gz YQAZIOWFQPTMOQ-OLZOCXBDSA-N 1 2 270.336 1.849 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(C#N)cs1 ZINC000582461788 329085201 /nfs/dbraw/zinc/08/52/01/329085201.db2.gz JHJWTMKKCBPVLG-LBPRGKRZSA-N 1 2 262.338 1.193 20 30 CDEDLO Cc1cccc2c1C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)O2 ZINC000582550260 329106092 /nfs/dbraw/zinc/10/60/92/329106092.db2.gz QNSDCHBAGJCGCJ-GOEBONIOSA-N 1 2 287.363 1.259 20 30 CDEDLO CC#CCC[N@H+](CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C ZINC000274134330 330103560 /nfs/dbraw/zinc/10/35/60/330103560.db2.gz FSFREZAYKDWZHM-CYBMUJFWSA-N 1 2 296.411 1.568 20 30 CDEDLO CC#CCC[N@@H+](CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C ZINC000274134330 330103561 /nfs/dbraw/zinc/10/35/61/330103561.db2.gz FSFREZAYKDWZHM-CYBMUJFWSA-N 1 2 296.411 1.568 20 30 CDEDLO Cc1ncsc1C[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000527127841 330224780 /nfs/dbraw/zinc/22/47/80/330224780.db2.gz HJQZAXOARJMMES-UHFFFAOYSA-N 1 2 278.381 1.446 20 30 CDEDLO Cc1ncsc1C[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000527127841 330224781 /nfs/dbraw/zinc/22/47/81/330224781.db2.gz HJQZAXOARJMMES-UHFFFAOYSA-N 1 2 278.381 1.446 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cnn(C(C)(C)C)c2)nn1 ZINC000424171661 330311733 /nfs/dbraw/zinc/31/17/33/330311733.db2.gz MLIGABGZNRQTJP-UHFFFAOYSA-N 1 2 274.372 1.705 20 30 CDEDLO CC#CCN(C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000455434486 331169786 /nfs/dbraw/zinc/16/97/86/331169786.db2.gz MFZAQHSBLWKHDD-UHFFFAOYSA-N 1 2 283.335 1.813 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000457439669 331223027 /nfs/dbraw/zinc/22/30/27/331223027.db2.gz OFNJGRMCICRPSN-UHFFFAOYSA-N 1 2 296.415 1.288 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C(=O)OC)C1(OC)CCC1 ZINC000459500897 331285014 /nfs/dbraw/zinc/28/50/14/331285014.db2.gz DNTQGSXPTNWUAX-GRYCIOLGSA-N 1 2 269.341 1.030 20 30 CDEDLO C#CC[NH+]1CCN(Cn2sc3ccccc3c2=O)CC1 ZINC000490544098 332090732 /nfs/dbraw/zinc/09/07/32/332090732.db2.gz CRFSYBAFQJWNFT-UHFFFAOYSA-N 1 2 287.388 1.271 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)NC(=O)Nc1ccccc1 ZINC000490842029 332119918 /nfs/dbraw/zinc/11/99/18/332119918.db2.gz YCXVCKLSPHTFSA-UHFFFAOYSA-N 1 2 283.331 1.293 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)NC(=O)Nc1ccccc1 ZINC000490842029 332119919 /nfs/dbraw/zinc/11/99/19/332119919.db2.gz YCXVCKLSPHTFSA-UHFFFAOYSA-N 1 2 283.331 1.293 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1ccccc1OCC(=O)N(C)C ZINC000490901083 332127834 /nfs/dbraw/zinc/12/78/34/332127834.db2.gz ZEGHAZKYAITPBO-UHFFFAOYSA-N 1 2 298.386 1.612 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1ccccc1OCC(=O)N(C)C ZINC000490901083 332127835 /nfs/dbraw/zinc/12/78/35/332127835.db2.gz ZEGHAZKYAITPBO-UHFFFAOYSA-N 1 2 298.386 1.612 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000491070262 332145703 /nfs/dbraw/zinc/14/57/03/332145703.db2.gz AJWVATHHVMOVTQ-VIFPVBQESA-N 1 2 263.253 1.957 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000491070262 332145704 /nfs/dbraw/zinc/14/57/04/332145704.db2.gz AJWVATHHVMOVTQ-VIFPVBQESA-N 1 2 263.253 1.957 20 30 CDEDLO C#CC[N@H+](C)CCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000491165769 332159881 /nfs/dbraw/zinc/15/98/81/332159881.db2.gz NDONDEINNWNPJF-UHFFFAOYSA-N 1 2 263.429 1.406 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@H](NC(=O)OC(C)(C)C)CC1=O ZINC000491252941 332174834 /nfs/dbraw/zinc/17/48/34/332174834.db2.gz KPZCCSTYFUAQKV-VXGBXAGGSA-N 1 2 295.383 1.023 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@H](NC(=O)OC(C)(C)C)CC1=O ZINC000491252941 332174835 /nfs/dbraw/zinc/17/48/35/332174835.db2.gz KPZCCSTYFUAQKV-VXGBXAGGSA-N 1 2 295.383 1.023 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(C)Cc1ccc(OCC)cc1 ZINC000491361321 332196966 /nfs/dbraw/zinc/19/69/66/332196966.db2.gz KPJDXOHRQSBZTG-UHFFFAOYSA-N 1 2 274.364 1.609 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N(C)Cc1ccc(OCC)cc1 ZINC000491361321 332196968 /nfs/dbraw/zinc/19/69/68/332196968.db2.gz KPJDXOHRQSBZTG-UHFFFAOYSA-N 1 2 274.364 1.609 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@H](O)COc1cc(C)ccc1C ZINC000491375928 332200420 /nfs/dbraw/zinc/20/04/20/332200420.db2.gz YAQZBJJPBGYDGR-HOTGVXAUSA-N 1 2 289.375 1.377 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](O)COc1cc(C)ccc1C ZINC000491375928 332200422 /nfs/dbraw/zinc/20/04/22/332200422.db2.gz YAQZBJJPBGYDGR-HOTGVXAUSA-N 1 2 289.375 1.377 20 30 CDEDLO C#C[C@H]1COCCN1C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000491627538 332251092 /nfs/dbraw/zinc/25/10/92/332251092.db2.gz KZRDJBRWGLJFMK-AWEZNQCLSA-N 1 2 298.346 1.186 20 30 CDEDLO C#CCN(CC#N)Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000491716140 332306182 /nfs/dbraw/zinc/30/61/82/332306182.db2.gz RWQLWEZBMNMKIN-UHFFFAOYSA-N 1 2 258.712 1.946 20 30 CDEDLO C#CC[NH+]1CCN(c2nc3cc(OC)ccc3o2)CC1 ZINC000491773522 332339519 /nfs/dbraw/zinc/33/95/19/332339519.db2.gz BFOOFYRXOVLHSC-UHFFFAOYSA-N 1 2 271.320 1.592 20 30 CDEDLO C#C[C@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)C(C)(C)C ZINC000491782168 332345788 /nfs/dbraw/zinc/34/57/88/332345788.db2.gz OKXMIEPFLCPFOQ-OLZOCXBDSA-N 1 2 288.395 1.967 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)c1 ZINC000191536872 333221132 /nfs/dbraw/zinc/22/11/32/333221132.db2.gz PVKVYBVHXYEYFV-XJKSGUPXSA-N 1 2 277.364 1.833 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)c1 ZINC000191536872 333221133 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576957976 /nfs/dbraw/zinc/95/79/76/576957976.db2.gz BMZQGQHERQUFMB-UHFFFAOYSA-N 1 2 291.384 1.511 20 30 CDEDLO C(=[NH+]O[C@@H]1CCCCO1)c1cnc(N2CCOCC2)s1 ZINC000755819735 576963105 /nfs/dbraw/zinc/96/31/05/576963105.db2.gz VGNXUIFVKXPDAA-GFCCVEGCSA-N 1 2 297.380 1.857 20 30 CDEDLO Cc1ccnc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)n1 ZINC000755823379 576963235 /nfs/dbraw/zinc/96/32/35/576963235.db2.gz ZFYPJKISJYVVHV-UHFFFAOYSA-N 1 2 284.319 1.557 20 30 CDEDLO N#CC1CC[NH+](CN2C(=O)[C@H]3CCCCC[C@H]32)CC1 ZINC000749950724 576969502 /nfs/dbraw/zinc/96/95/02/576969502.db2.gz VKWKWQPINOADRR-UONOGXRCSA-N 1 2 261.369 1.971 20 30 CDEDLO C#CCNC(=S)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000758180441 577077751 /nfs/dbraw/zinc/07/77/51/577077751.db2.gz JYEWUQMTJULCBX-UHFFFAOYSA-N 1 2 298.415 1.184 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccnn2C(C)C)C1 ZINC000950421961 612992569 /nfs/dbraw/zinc/99/25/69/612992569.db2.gz PZCRUWKDNUSKMH-UHFFFAOYSA-N 1 2 288.395 1.634 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+](CCF)C2)nc1 ZINC000970763002 613182704 /nfs/dbraw/zinc/18/27/04/613182704.db2.gz IIVJYDRHOVILTK-NSHDSACASA-N 1 2 275.327 1.083 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(C)CCC3)C2)C1 ZINC000972503325 613210936 /nfs/dbraw/zinc/21/09/36/613210936.db2.gz FBTXTFJFVWREQX-INIZCTEOSA-N 1 2 276.380 1.113 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(C)CCC3)C2)C1 ZINC000972503325 613210938 /nfs/dbraw/zinc/21/09/38/613210938.db2.gz FBTXTFJFVWREQX-INIZCTEOSA-N 1 2 276.380 1.113 20 30 CDEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC000948955191 613279903 /nfs/dbraw/zinc/27/99/03/613279903.db2.gz UBSOHEHUPIQXMQ-RRQGHBQHSA-N 1 2 282.387 1.991 20 30 CDEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC000948955191 613279905 /nfs/dbraw/zinc/27/99/05/613279905.db2.gz UBSOHEHUPIQXMQ-RRQGHBQHSA-N 1 2 282.387 1.991 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccccn2)C1 ZINC000949563917 613296795 /nfs/dbraw/zinc/29/67/95/613296795.db2.gz URIFMGVVCVRJFV-UHFFFAOYSA-N 1 2 259.353 1.804 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnnn2CC)C1 ZINC000950034074 613297506 /nfs/dbraw/zinc/29/75/06/613297506.db2.gz BTVWHHMEAZQLHZ-UHFFFAOYSA-N 1 2 277.372 1.020 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)C2(c3cc(C)no3)CC2)CC1 ZINC000949840453 613316054 /nfs/dbraw/zinc/31/60/54/613316054.db2.gz DWQRHISPXLJOEC-UHFFFAOYSA-N 1 2 289.379 1.735 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnn(CCC)c2)CC1 ZINC000951002665 613321742 /nfs/dbraw/zinc/32/17/42/613321742.db2.gz IXZFRUUBYCWVKH-UHFFFAOYSA-N 1 2 276.384 1.627 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2csc(COC)n2)CC1 ZINC000957883446 613321935 /nfs/dbraw/zinc/32/19/35/613321935.db2.gz LVWNPRGSWFATGZ-UHFFFAOYSA-N 1 2 295.408 1.623 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCOC2)CC1 ZINC000980825862 613373697 /nfs/dbraw/zinc/37/36/97/613373697.db2.gz QDQMMTUZFKMMOL-CYBMUJFWSA-N 1 2 286.803 1.700 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CCCOC2)CC1 ZINC000980825862 613373698 /nfs/dbraw/zinc/37/36/98/613373698.db2.gz QDQMMTUZFKMMOL-CYBMUJFWSA-N 1 2 286.803 1.700 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC000965320196 613375791 /nfs/dbraw/zinc/37/57/91/613375791.db2.gz CBOOOVGOKCGCSB-BXKDBHETSA-N 1 2 282.775 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC000965320196 613375792 /nfs/dbraw/zinc/37/57/92/613375792.db2.gz CBOOOVGOKCGCSB-BXKDBHETSA-N 1 2 282.775 1.602 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCc2ccc(C)o2)CC1 ZINC000957769262 613561907 /nfs/dbraw/zinc/56/19/07/613561907.db2.gz QHIMSIZROZIIQY-UHFFFAOYSA-N 1 2 274.364 1.688 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2cc(=O)[nH]c(C3CC3)c2)CC1 ZINC000948712523 613567334 /nfs/dbraw/zinc/56/73/34/613567334.db2.gz GDQOWTKILGURJV-UHFFFAOYSA-N 1 2 299.374 1.446 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C(C)C)C2)C1 ZINC000972582671 613571141 /nfs/dbraw/zinc/57/11/41/613571141.db2.gz PRBGDXZWHUFYOI-DOTOQJQBSA-N 1 2 292.423 1.605 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C(C)C)C2)C1 ZINC000972582671 613571144 /nfs/dbraw/zinc/57/11/44/613571144.db2.gz PRBGDXZWHUFYOI-DOTOQJQBSA-N 1 2 292.423 1.605 20 30 CDEDLO O=C(NCC#C[C@H]1CCCCO1)c1cc2c[nH+]ccc2[nH]1 ZINC000891107182 617363962 /nfs/dbraw/zinc/36/39/62/617363962.db2.gz AWILHADLTCQYTI-CYBMUJFWSA-N 1 2 283.331 1.865 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2c(C)n[nH]c2C)CC1 ZINC000957619617 613707612 /nfs/dbraw/zinc/70/76/12/613707612.db2.gz DTZMTDCEZDKAEH-UHFFFAOYSA-N 1 2 276.384 1.289 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000950018777 613708895 /nfs/dbraw/zinc/70/88/95/613708895.db2.gz RFFHGMOMNIGKCX-OLZOCXBDSA-N 1 2 252.358 1.274 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)cc(C)n2)CC1 ZINC000949023276 613714456 /nfs/dbraw/zinc/71/44/56/613714456.db2.gz XGCXUOORBBZOFS-UHFFFAOYSA-N 1 2 259.353 1.642 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3c(c2)CCO3)CC1 ZINC000950664241 613716254 /nfs/dbraw/zinc/71/62/54/613716254.db2.gz PCEIIEAYQBFTIW-UHFFFAOYSA-N 1 2 272.348 1.565 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc(OC)c2C)CC1 ZINC000950807912 613716681 /nfs/dbraw/zinc/71/66/81/613716681.db2.gz KBBNFUPIOCUHFM-UHFFFAOYSA-N 1 2 274.364 1.947 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnn(-c3ccccn3)c2)CC1 ZINC000951126608 613717844 /nfs/dbraw/zinc/71/78/44/613717844.db2.gz LXACYCQIONWPOU-UHFFFAOYSA-N 1 2 297.362 1.211 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cn3ccccc3n2)CC1 ZINC000957540962 613718335 /nfs/dbraw/zinc/71/83/35/613718335.db2.gz ATVJOEKIYHKTMC-UHFFFAOYSA-N 1 2 270.336 1.278 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC3(C)C)C2)C1 ZINC000972509184 613726172 /nfs/dbraw/zinc/72/61/72/613726172.db2.gz BDJMUSVCTRZWQQ-RHSMWYFYSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC3(C)C)C2)C1 ZINC000972509184 613726173 /nfs/dbraw/zinc/72/61/73/613726173.db2.gz BDJMUSVCTRZWQQ-RHSMWYFYSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CCN(CC(=O)OCC)Cc1c[nH+]cn1CC ZINC000157399503 617978882 /nfs/dbraw/zinc/97/88/82/617978882.db2.gz SDWXCFZODACGOH-UHFFFAOYSA-N 1 2 251.330 1.454 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2c(Cl)nc3ccccn32)CCCN1O ZINC000895166032 619395616 /nfs/dbraw/zinc/39/56/16/619395616.db2.gz OYRGKLIYJJWEII-VIFPVBQESA-N 1 2 294.742 1.458 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)Nc1nnc(C)c(C)c1C#N ZINC000895802954 619852530 /nfs/dbraw/zinc/85/25/30/619852530.db2.gz ZYSGXHGMSUCEEX-CYBMUJFWSA-N 1 2 289.383 1.488 20 30 CDEDLO N#Cc1cnc(NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)s1 ZINC000896495498 620117871 /nfs/dbraw/zinc/11/78/71/620117871.db2.gz RFYBWHDMBQXOKF-NSHDSACASA-N 1 2 276.365 1.970 20 30 CDEDLO N#Cc1cnc(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)s1 ZINC000896495498 620117874 /nfs/dbraw/zinc/11/78/74/620117874.db2.gz RFYBWHDMBQXOKF-NSHDSACASA-N 1 2 276.365 1.970 20 30 CDEDLO CCn1c[nH+]c2c1CCN(c1ccc(C#N)cn1)C2 ZINC000896653722 620183901 /nfs/dbraw/zinc/18/39/01/620183901.db2.gz IXQHMUWCFPWXBY-UHFFFAOYSA-N 1 2 253.309 1.732 20 30 CDEDLO C=C1C[NH+](C[C@@H](O)COCc2ccccc2OC)C1 ZINC000899901393 622517875 /nfs/dbraw/zinc/51/78/75/622517875.db2.gz JXWLOJHCNOWZRF-CQSZACIVSA-N 1 2 263.337 1.445 20 30 CDEDLO N#Cc1ccccc1N1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900485629 623133131 /nfs/dbraw/zinc/13/31/31/623133131.db2.gz RMYDIRFPPXLMIF-UHFFFAOYSA-N 1 2 295.346 1.173 20 30 CDEDLO Cc1ccc(C(=O)/C=C/C(=O)N2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000900846148 623562052 /nfs/dbraw/zinc/56/20/52/623562052.db2.gz FVUZMJFVDXDXDL-MYSGNRETSA-N 1 2 286.375 1.896 20 30 CDEDLO Cc1ccc(C(=O)/C=C/C(=O)N2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000900846148 623562058 /nfs/dbraw/zinc/56/20/58/623562058.db2.gz FVUZMJFVDXDXDL-MYSGNRETSA-N 1 2 286.375 1.896 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901001003 623774189 /nfs/dbraw/zinc/77/41/89/623774189.db2.gz QHTGSQNSEDRRRM-CQSZACIVSA-N 1 2 265.357 1.872 20 30 CDEDLO C#CC[N@H+](CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C(C)C ZINC000902385655 624747125 /nfs/dbraw/zinc/74/71/25/624747125.db2.gz XUZLKZBKXRAALG-BETUJISGSA-N 1 2 260.337 1.239 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C(C)C ZINC000902385655 624747140 /nfs/dbraw/zinc/74/71/40/624747140.db2.gz XUZLKZBKXRAALG-BETUJISGSA-N 1 2 260.337 1.239 20 30 CDEDLO C[C@@H](CNC(=O)c1ccsc1C#N)Cn1cc[nH+]c1 ZINC000906765090 627403777 /nfs/dbraw/zinc/40/37/77/627403777.db2.gz CTZJSEGYBQVYIA-JTQLQIEISA-N 1 2 274.349 1.882 20 30 CDEDLO N#Cc1sccc1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000906974702 627477717 /nfs/dbraw/zinc/47/77/17/627477717.db2.gz GXUFXTFCSMAUKR-NSHDSACASA-N 1 2 291.376 1.166 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000907525285 627699048 /nfs/dbraw/zinc/69/90/48/627699048.db2.gz KDIRXDBXWNXOLQ-OBJOEFQTSA-N 1 2 275.352 1.295 20 30 CDEDLO Cc1ccc(NC(=O)CSCC#N)c(N(C)C)[nH+]1 ZINC000152667840 631300310 /nfs/dbraw/zinc/30/03/10/631300310.db2.gz OOJPFMRJLYBQJA-UHFFFAOYSA-N 1 2 264.354 1.651 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(F)c(C=O)c2)C1 ZINC000923597362 631811915 /nfs/dbraw/zinc/81/19/15/631811915.db2.gz DHSCHOXJNYDPSZ-CQSZACIVSA-N 1 2 288.322 1.466 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(F)c(C=O)c2)C1 ZINC000923597362 631811921 /nfs/dbraw/zinc/81/19/21/631811921.db2.gz DHSCHOXJNYDPSZ-CQSZACIVSA-N 1 2 288.322 1.466 20 30 CDEDLO Cn1c[nH+]cc1CCOC(=O)Cc1ccc(C#N)cc1 ZINC000793253029 1162405916 /nfs/dbraw/zinc/40/59/16/1162405916.db2.gz VJDUHZYXHLMGTO-UHFFFAOYSA-N 1 2 269.304 1.620 20 30 CDEDLO COc1ccc(C#N)c(NCc2cc[nH+]c(N)c2)n1 ZINC001167619357 1159162992 /nfs/dbraw/zinc/16/29/92/1159162992.db2.gz ZBKCRLGVAMUMKZ-UHFFFAOYSA-N 1 2 255.281 1.551 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N(C)CC[N@H+](C)CC(=O)NC(C)C ZINC001753861992 1159931197 /nfs/dbraw/zinc/93/11/97/1159931197.db2.gz XUXITUQOXUHUBW-INIZCTEOSA-N 1 2 297.443 1.504 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N(C)CC[N@@H+](C)CC(=O)NC(C)C ZINC001753861992 1159931199 /nfs/dbraw/zinc/93/11/99/1159931199.db2.gz XUXITUQOXUHUBW-INIZCTEOSA-N 1 2 297.443 1.504 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001038479904 1160682149 /nfs/dbraw/zinc/68/21/49/1160682149.db2.gz DYFMFVJLWVOUNV-AWEZNQCLSA-N 1 2 297.358 1.009 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001038479904 1160682152 /nfs/dbraw/zinc/68/21/52/1160682152.db2.gz DYFMFVJLWVOUNV-AWEZNQCLSA-N 1 2 297.358 1.009 20 30 CDEDLO C#CCOCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001132042373 1163151057 /nfs/dbraw/zinc/15/10/57/1163151057.db2.gz UHGQBYPENSHIAG-KGLIPLIRSA-N 1 2 298.814 1.748 20 30 CDEDLO C#CCOCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=C)Cl)C1 ZINC001132042373 1163151058 /nfs/dbraw/zinc/15/10/58/1163151058.db2.gz UHGQBYPENSHIAG-KGLIPLIRSA-N 1 2 298.814 1.748 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC001030363022 1161003983 /nfs/dbraw/zinc/00/39/83/1161003983.db2.gz MIAWAARAUHITJU-UHFFFAOYSA-N 1 2 285.347 1.171 20 30 CDEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C)s3)[C@H]2C1 ZINC001082982284 1161580437 /nfs/dbraw/zinc/58/04/37/1161580437.db2.gz PBKDPTSGCDNADV-QWHCGFSZSA-N 1 2 292.404 1.768 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc2cc(C)ccn21 ZINC001085613048 1161948358 /nfs/dbraw/zinc/94/83/58/1161948358.db2.gz HJKLJIKZGVBDNT-AWEZNQCLSA-N 1 2 296.374 1.422 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc2cc(C)ccn21 ZINC001085613048 1161948360 /nfs/dbraw/zinc/94/83/60/1161948360.db2.gz HJKLJIKZGVBDNT-AWEZNQCLSA-N 1 2 296.374 1.422 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCN(C)c2ccccc2)CC1 ZINC001113440839 1162175127 /nfs/dbraw/zinc/17/51/27/1162175127.db2.gz SRYUSXBHQBCURM-UHFFFAOYSA-N 1 2 299.418 1.680 20 30 CDEDLO N#CCOc1ccc(C[N@H+]2CC(=O)N3CCC[C@H]3C2)cc1 ZINC001137120582 1166044109 /nfs/dbraw/zinc/04/41/09/1166044109.db2.gz VDOOLOPJSQGWMO-AWEZNQCLSA-N 1 2 285.347 1.396 20 30 CDEDLO N#CCOc1ccc(C[N@@H+]2CC(=O)N3CCC[C@H]3C2)cc1 ZINC001137120582 1166044112 /nfs/dbraw/zinc/04/41/12/1166044112.db2.gz VDOOLOPJSQGWMO-AWEZNQCLSA-N 1 2 285.347 1.396 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3cc[nH]c3n2)CC1 ZINC001151595514 1167084645 /nfs/dbraw/zinc/08/46/45/1167084645.db2.gz MLIWKXZEHXUFTB-UHFFFAOYSA-N 1 2 270.336 1.507 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1CCCOc1cccc(Cl)c1 ZINC001580044458 1172331935 /nfs/dbraw/zinc/33/19/35/1172331935.db2.gz BRNIOLDNCVFZLY-CYBMUJFWSA-N 1 2 279.771 1.906 20 30 CDEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589979602 1173222223 /nfs/dbraw/zinc/22/22/23/1173222223.db2.gz XNDMNMUYUYKTBI-SNVBAGLBSA-N 1 2 298.350 1.917 20 30 CDEDLO N#CC1(CNC(=O)NCc2ccc[nH+]c2N)CCC1 ZINC001683262107 1174633533 /nfs/dbraw/zinc/63/35/33/1174633533.db2.gz HELZZTISTRLEBY-UHFFFAOYSA-N 1 2 259.313 1.157 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)Oc2cccnc2)C1 ZINC001753387335 1185180163 /nfs/dbraw/zinc/18/01/63/1185180163.db2.gz VDUMAFDEMYOPCV-GFCCVEGCSA-N 1 2 275.352 1.225 20 30 CDEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1=CCCC1 ZINC001753419182 1185195012 /nfs/dbraw/zinc/19/50/12/1185195012.db2.gz FOZWGMMOGJZAMY-GJZGRUSLSA-N 1 2 274.364 1.032 20 30 CDEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1=CCCC1 ZINC001753419182 1185195014 /nfs/dbraw/zinc/19/50/14/1185195014.db2.gz FOZWGMMOGJZAMY-GJZGRUSLSA-N 1 2 274.364 1.032 20 30 CDEDLO C=C/C(C)=C\CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#CCOC ZINC001753422892 1185197486 /nfs/dbraw/zinc/19/74/86/1185197486.db2.gz OXNFJLQJBUCUBR-BKZJWICZSA-N 1 2 288.391 1.444 20 30 CDEDLO C=C/C(C)=C\CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#CCOC ZINC001753422892 1185197492 /nfs/dbraw/zinc/19/74/92/1185197492.db2.gz OXNFJLQJBUCUBR-BKZJWICZSA-N 1 2 288.391 1.444 20 30 CDEDLO CC#CC[N@H+](C)CCN(C)C(=O)c1cccc2n[nH]cc21 ZINC001753858862 1185366732 /nfs/dbraw/zinc/36/67/32/1185366732.db2.gz SIILHIKUMLDXDO-UHFFFAOYSA-N 1 2 284.363 1.590 20 30 CDEDLO CC#CC[N@@H+](C)CCN(C)C(=O)c1cccc2n[nH]cc21 ZINC001753858862 1185366734 /nfs/dbraw/zinc/36/67/34/1185366734.db2.gz SIILHIKUMLDXDO-UHFFFAOYSA-N 1 2 284.363 1.590 20 30 CDEDLO C=CCOCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(F)cc1 ZINC001754477727 1185633141 /nfs/dbraw/zinc/63/31/41/1185633141.db2.gz KSLVMRACJMHQPR-HNNXBMFYSA-N 1 2 292.354 1.719 20 30 CDEDLO C=CCOCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(F)cc1 ZINC001754477727 1185633147 /nfs/dbraw/zinc/63/31/47/1185633147.db2.gz KSLVMRACJMHQPR-HNNXBMFYSA-N 1 2 292.354 1.719 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)CO[C@@H]2CCCC[C@H]2C)C1 ZINC001754583005 1185674873 /nfs/dbraw/zinc/67/48/73/1185674873.db2.gz JWZKQSPKHQFQFX-GDBMZVCRSA-N 1 2 292.423 1.748 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCCN(CC#N)CC1 ZINC001755029164 1185791074 /nfs/dbraw/zinc/79/10/74/1185791074.db2.gz MBBPUAMOHZXNJS-STQMWFEESA-N 1 2 289.383 1.083 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCCN(CC#N)CC1 ZINC001755029164 1185791077 /nfs/dbraw/zinc/79/10/77/1185791077.db2.gz MBBPUAMOHZXNJS-STQMWFEESA-N 1 2 289.383 1.083 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)Cc3ccon3)cc2C1 ZINC001755100706 1185814400 /nfs/dbraw/zinc/81/44/00/1185814400.db2.gz DJSHIWASWVSXLW-UHFFFAOYSA-N 1 2 295.342 1.482 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)Cc3ccon3)cc2C1 ZINC001755100706 1185814410 /nfs/dbraw/zinc/81/44/10/1185814410.db2.gz DJSHIWASWVSXLW-UHFFFAOYSA-N 1 2 295.342 1.482 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)CNC(=O)c1[nH]nc2c1CCCCC2 ZINC001755325848 1185917711 /nfs/dbraw/zinc/91/77/11/1185917711.db2.gz DBIMADNTEQRVDM-LBPRGKRZSA-N 1 2 288.395 1.362 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)CNC(=O)c1[nH]nc2c1CCCCC2 ZINC001755325848 1185917717 /nfs/dbraw/zinc/91/77/17/1185917717.db2.gz DBIMADNTEQRVDM-LBPRGKRZSA-N 1 2 288.395 1.362 20 30 CDEDLO C#CC[NH2+]C1CC(N(C)C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001755857789 1186091921 /nfs/dbraw/zinc/09/19/21/1186091921.db2.gz BULPPYIRVJXDOC-AMDVSUOASA-N 1 2 266.238 1.099 20 30 CDEDLO C#CC[NH2+]C1CC(N(C)C(=O)C(F)C(F)(F)F)C1 ZINC001755857789 1186091914 /nfs/dbraw/zinc/09/19/14/1186091914.db2.gz BULPPYIRVJXDOC-AMDVSUOASA-N 1 2 266.238 1.099 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171533814 1164288803 /nfs/dbraw/zinc/28/88/03/1164288803.db2.gz PZHFLVRDCWSIRG-QWRGUYRKSA-N 1 2 295.308 1.759 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2occc2[nH]1 ZINC001017593931 735137435 /nfs/dbraw/zinc/13/74/35/735137435.db2.gz KBRWISRNDBDRGV-TXEJJXNPSA-N 1 2 283.331 1.683 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2occc2[nH]1 ZINC001017593931 735137437 /nfs/dbraw/zinc/13/74/37/735137437.db2.gz KBRWISRNDBDRGV-TXEJJXNPSA-N 1 2 283.331 1.683 20 30 CDEDLO Cc1nnc(C[N@H+](C)C[C@@H](O)CC2(C#N)CCC2)s1 ZINC000886287433 735153139 /nfs/dbraw/zinc/15/31/39/735153139.db2.gz RHCKLPOJQKKCIF-NSHDSACASA-N 1 2 280.397 1.723 20 30 CDEDLO Cc1nnc(C[N@@H+](C)C[C@@H](O)CC2(C#N)CCC2)s1 ZINC000886287433 735153147 /nfs/dbraw/zinc/15/31/47/735153147.db2.gz RHCKLPOJQKKCIF-NSHDSACASA-N 1 2 280.397 1.723 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC001038043316 735201582 /nfs/dbraw/zinc/20/15/82/735201582.db2.gz DAAJVOYDDCHOLN-JTQLQIEISA-N 1 2 251.717 1.105 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC001038043316 735201586 /nfs/dbraw/zinc/20/15/86/735201586.db2.gz DAAJVOYDDCHOLN-JTQLQIEISA-N 1 2 251.717 1.105 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccccc1C(N)=O ZINC000846987670 735267552 /nfs/dbraw/zinc/26/75/52/735267552.db2.gz OAEXSFPWICPJOQ-JTQLQIEISA-N 1 2 274.324 1.006 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](C[C@@H](O)COCc2ccccc2F)C1 ZINC000932163452 735289385 /nfs/dbraw/zinc/28/93/85/735289385.db2.gz URRMFRRHCYIVPX-DZGCQCFKSA-N 1 2 292.354 1.939 20 30 CDEDLO N#C[C@@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2F)C1 ZINC000932163452 735289395 /nfs/dbraw/zinc/28/93/95/735289395.db2.gz URRMFRRHCYIVPX-DZGCQCFKSA-N 1 2 292.354 1.939 20 30 CDEDLO C#C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC000807877977 735327779 /nfs/dbraw/zinc/32/77/79/735327779.db2.gz CIEYJISDURICQD-RYUDHWBXSA-N 1 2 259.353 1.610 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000798396677 735340543 /nfs/dbraw/zinc/34/05/43/735340543.db2.gz CYIYHVDETLLRFO-STQMWFEESA-N 1 2 269.389 1.361 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000798396677 735340549 /nfs/dbraw/zinc/34/05/49/735340549.db2.gz CYIYHVDETLLRFO-STQMWFEESA-N 1 2 269.389 1.361 20 30 CDEDLO CC(C)[C@@]1(C)CC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853525488 735343197 /nfs/dbraw/zinc/34/31/97/735343197.db2.gz WTCILGIZAFGGCI-XJKSGUPXSA-N 1 2 291.395 1.991 20 30 CDEDLO CC(C)[C@@]1(C)CC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853525488 735343200 /nfs/dbraw/zinc/34/32/00/735343200.db2.gz WTCILGIZAFGGCI-XJKSGUPXSA-N 1 2 291.395 1.991 20 30 CDEDLO C#CCC1(O)CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000882529125 735386159 /nfs/dbraw/zinc/38/61/59/735386159.db2.gz UVAZXYUAHQYHHQ-UHFFFAOYSA-N 1 2 297.358 1.633 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001043317487 735410658 /nfs/dbraw/zinc/41/06/58/735410658.db2.gz LYJRMPCRKSYCOT-AWEZNQCLSA-N 1 2 280.412 1.910 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCO1 ZINC001017481768 735455931 /nfs/dbraw/zinc/45/59/31/735455931.db2.gz GEENFOWWKJBCBU-ZNMIVQPWSA-N 1 2 276.380 1.254 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCO1 ZINC001017481768 735455937 /nfs/dbraw/zinc/45/59/37/735455937.db2.gz GEENFOWWKJBCBU-ZNMIVQPWSA-N 1 2 276.380 1.254 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccn2cc(C)nc2c1 ZINC001038696580 735503788 /nfs/dbraw/zinc/50/37/88/735503788.db2.gz RKKHBFDGRCIWMH-AWEZNQCLSA-N 1 2 282.347 1.080 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn2cc(C)nc2c1 ZINC001038696580 735503793 /nfs/dbraw/zinc/50/37/93/735503793.db2.gz RKKHBFDGRCIWMH-AWEZNQCLSA-N 1 2 282.347 1.080 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)c1ccc(C)cc1 ZINC000884068488 735529716 /nfs/dbraw/zinc/52/97/16/735529716.db2.gz SJQQRRDPLLJKLG-OCCSQVGLSA-N 1 2 290.363 1.619 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2ccc(OC)o2)C1 ZINC001031138564 735704813 /nfs/dbraw/zinc/70/48/13/735704813.db2.gz WILZILBASJCOGH-UHFFFAOYSA-N 1 2 250.298 1.278 20 30 CDEDLO C#CCOCCN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000851724258 735776271 /nfs/dbraw/zinc/77/62/71/735776271.db2.gz SNSRZFFEUVNHOD-TWGQIWQCSA-N 1 2 284.403 1.967 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1coc(C)n1 ZINC001027842196 735801735 /nfs/dbraw/zinc/80/17/35/735801735.db2.gz DBGXWJBEFNIKSS-NSHDSACASA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1coc(C)n1 ZINC001027842196 735801736 /nfs/dbraw/zinc/80/17/36/735801736.db2.gz DBGXWJBEFNIKSS-NSHDSACASA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)ncn2C)C1 ZINC001014825677 735807285 /nfs/dbraw/zinc/80/72/85/735807285.db2.gz WOKRERKWOQLMRW-NSHDSACASA-N 1 2 282.775 1.285 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)ncn2C)C1 ZINC001014825677 735807287 /nfs/dbraw/zinc/80/72/87/735807287.db2.gz WOKRERKWOQLMRW-NSHDSACASA-N 1 2 282.775 1.285 20 30 CDEDLO C[C@@H](CC(=O)[C@H](C#N)C(=O)N1CCCC1)n1cc[nH+]c1 ZINC000845438806 735812816 /nfs/dbraw/zinc/81/28/16/735812816.db2.gz BCLUCOBMKSZQNC-RYUDHWBXSA-N 1 2 274.324 1.165 20 30 CDEDLO COc1cccc([C@H]2CN(C(=O)CC#N)CC[NH2+]2)c1 ZINC000870153931 735873038 /nfs/dbraw/zinc/87/30/38/735873038.db2.gz ZCECZDYKNNKVPI-CYBMUJFWSA-N 1 2 259.309 1.082 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CC[C@H](C)O1 ZINC001018292656 735893021 /nfs/dbraw/zinc/89/30/21/735893021.db2.gz PFEKPWJVXGQXMV-CAOSSQGBSA-N 1 2 290.407 1.643 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CC[C@H](C)O1 ZINC001018292656 735893022 /nfs/dbraw/zinc/89/30/22/735893022.db2.gz PFEKPWJVXGQXMV-CAOSSQGBSA-N 1 2 290.407 1.643 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncnc2sccc21 ZINC001038261240 735896343 /nfs/dbraw/zinc/89/63/43/735896343.db2.gz YNWBCGBPACLECF-SNVBAGLBSA-N 1 2 286.360 1.129 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncnc2sccc21 ZINC001038261240 735896346 /nfs/dbraw/zinc/89/63/46/735896346.db2.gz YNWBCGBPACLECF-SNVBAGLBSA-N 1 2 286.360 1.129 20 30 CDEDLO C#CC[C@H](CCOC)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000860850547 735960710 /nfs/dbraw/zinc/96/07/10/735960710.db2.gz GUUJBTXVGXOGPO-CYBMUJFWSA-N 1 2 275.352 1.670 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2cnc(C)s2)CC1 ZINC000886232494 736001277 /nfs/dbraw/zinc/00/12/77/736001277.db2.gz YAEIQJWMUKTVSA-UHFFFAOYSA-N 1 2 279.365 1.730 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1nccs1 ZINC001018282724 736009114 /nfs/dbraw/zinc/00/91/14/736009114.db2.gz CEACFEHKBYUSQB-BETUJISGSA-N 1 2 289.404 1.384 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1nccs1 ZINC001018282724 736009124 /nfs/dbraw/zinc/00/91/24/736009124.db2.gz CEACFEHKBYUSQB-BETUJISGSA-N 1 2 289.404 1.384 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1cnc([C@H](C)O)s1 ZINC000809652585 736017432 /nfs/dbraw/zinc/01/74/32/736017432.db2.gz LLJDYSJVLPAQFN-JTQLQIEISA-N 1 2 256.371 1.831 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1cnc([C@H](C)O)s1 ZINC000809652585 736017439 /nfs/dbraw/zinc/01/74/39/736017439.db2.gz LLJDYSJVLPAQFN-JTQLQIEISA-N 1 2 256.371 1.831 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001035449264 736055265 /nfs/dbraw/zinc/05/52/65/736055265.db2.gz IRFZSHRGJSGGMP-KFWWJZLASA-N 1 2 296.411 1.195 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001035449264 736055275 /nfs/dbraw/zinc/05/52/75/736055275.db2.gz IRFZSHRGJSGGMP-KFWWJZLASA-N 1 2 296.411 1.195 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCO[C@H]1C ZINC001017511254 736073167 /nfs/dbraw/zinc/07/31/67/736073167.db2.gz CBRDRQIKYSNMOA-CAOSSQGBSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCO[C@H]1C ZINC001017511254 736073177 /nfs/dbraw/zinc/07/31/77/736073177.db2.gz CBRDRQIKYSNMOA-CAOSSQGBSA-N 1 2 290.407 1.500 20 30 CDEDLO CCc1noc([C@H](C)O[NH+]=C(N)Cc2cccnc2)n1 ZINC000092914818 736220063 /nfs/dbraw/zinc/22/00/63/736220063.db2.gz UKFPJXTZOQOTGV-VIFPVBQESA-N 1 2 275.312 1.620 20 30 CDEDLO Cc1cc(C#N)cc(NC(=O)/C=C\C[NH+]2CCOCC2)c1 ZINC000868798646 736326181 /nfs/dbraw/zinc/32/61/81/736326181.db2.gz SDWDTRIFMRWQPW-IHWYPQMZSA-N 1 2 285.347 1.694 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)C1CCC1)CO2 ZINC001053844262 733190870 /nfs/dbraw/zinc/19/08/70/733190870.db2.gz FAZFARHMELJHSR-ZFWWWQNUSA-N 1 2 290.407 1.405 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(C#N)[nH]c1C ZINC000874712037 733192411 /nfs/dbraw/zinc/19/24/11/733192411.db2.gz UQUDULOACFMRML-CYBMUJFWSA-N 1 2 290.367 1.035 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(C#N)[nH]c1C ZINC000874712037 733192415 /nfs/dbraw/zinc/19/24/15/733192415.db2.gz UQUDULOACFMRML-CYBMUJFWSA-N 1 2 290.367 1.035 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000931401710 733209854 /nfs/dbraw/zinc/20/98/54/733209854.db2.gz MWVAHHIOCYWTQV-STQMWFEESA-N 1 2 254.374 1.426 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000931401710 733209863 /nfs/dbraw/zinc/20/98/63/733209863.db2.gz MWVAHHIOCYWTQV-STQMWFEESA-N 1 2 254.374 1.426 20 30 CDEDLO CCOC(=O)C[C@H](O)CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000863455615 733286864 /nfs/dbraw/zinc/28/68/64/733286864.db2.gz PHBFEFRCAMSMIC-NSHDSACASA-N 1 2 298.314 1.085 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857999127 733359831 /nfs/dbraw/zinc/35/98/31/733359831.db2.gz PNWABRDSDMFOJC-AWEZNQCLSA-N 1 2 261.325 1.476 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nccc2occc21 ZINC001017756250 733367551 /nfs/dbraw/zinc/36/75/51/733367551.db2.gz IAULBOYPGLGYSP-BETUJISGSA-N 1 2 295.342 1.750 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nccc2occc21 ZINC001017756250 733367554 /nfs/dbraw/zinc/36/75/54/733367554.db2.gz IAULBOYPGLGYSP-BETUJISGSA-N 1 2 295.342 1.750 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2ccoc2)n[nH]1 ZINC001032782786 733428750 /nfs/dbraw/zinc/42/87/50/733428750.db2.gz MQSFXWGSGMQOGA-STQMWFEESA-N 1 2 296.330 1.202 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2ccoc2)n[nH]1 ZINC001032782786 733428757 /nfs/dbraw/zinc/42/87/57/733428757.db2.gz MQSFXWGSGMQOGA-STQMWFEESA-N 1 2 296.330 1.202 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(CC)cc2)C1 ZINC001035595723 733470393 /nfs/dbraw/zinc/47/03/93/733470393.db2.gz QSWMSSSVOAADKX-MRXNPFEDSA-N 1 2 288.391 1.866 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(CC)cc2)C1 ZINC001035595723 733470397 /nfs/dbraw/zinc/47/03/97/733470397.db2.gz QSWMSSSVOAADKX-MRXNPFEDSA-N 1 2 288.391 1.866 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC001024350291 733490478 /nfs/dbraw/zinc/49/04/78/733490478.db2.gz NAZZYDZQPSUBHA-QWHCGFSZSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC001024350291 733490482 /nfs/dbraw/zinc/49/04/82/733490482.db2.gz NAZZYDZQPSUBHA-QWHCGFSZSA-N 1 2 286.803 1.746 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccncc2Cl)C1 ZINC001035533403 733495460 /nfs/dbraw/zinc/49/54/60/733495460.db2.gz ORICPNPUSOLZTH-NSHDSACASA-N 1 2 295.770 1.352 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccncc2Cl)C1 ZINC001035533403 733495465 /nfs/dbraw/zinc/49/54/65/733495465.db2.gz ORICPNPUSOLZTH-NSHDSACASA-N 1 2 295.770 1.352 20 30 CDEDLO C#CCC[C@@H](O)CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000836633920 733506410 /nfs/dbraw/zinc/50/64/10/733506410.db2.gz WJKDNUKPPPUMJI-CYBMUJFWSA-N 1 2 275.352 1.903 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)C1 ZINC001031218191 733531647 /nfs/dbraw/zinc/53/16/47/733531647.db2.gz UTCFZTSLOHDCSB-UKRRQHHQSA-N 1 2 280.412 1.814 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC000999901926 733537809 /nfs/dbraw/zinc/53/78/09/733537809.db2.gz XTVIYOBHEHVVMK-LBPRGKRZSA-N 1 2 292.383 1.671 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCc2cccc(C(N)=O)c2)cc1 ZINC000054230945 733554668 /nfs/dbraw/zinc/55/46/68/733554668.db2.gz LYMIANALFZSVJD-UHFFFAOYSA-N 1 2 299.330 1.631 20 30 CDEDLO CC(C)N(C(=O)CO[NH+]=C(N)c1ccccc1)C(C)C ZINC000028774985 733558608 /nfs/dbraw/zinc/55/86/08/733558608.db2.gz JOQPZKGDPNSMKO-UHFFFAOYSA-N 1 2 277.368 1.969 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C2Cc3ccccc3C2)C1 ZINC001031001191 733578696 /nfs/dbraw/zinc/57/86/96/733578696.db2.gz YUXGQJGEOABXRD-UHFFFAOYSA-N 1 2 270.376 1.778 20 30 CDEDLO C[C@@H]1CC(=O)N(C[N@H+](C)Cc2cccc(C#N)c2)C1 ZINC000113239980 733591797 /nfs/dbraw/zinc/59/17/97/733591797.db2.gz SHMPQXVQUVYQJG-GFCCVEGCSA-N 1 2 257.337 1.816 20 30 CDEDLO C[C@@H]1CC(=O)N(C[N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC000113239980 733591802 /nfs/dbraw/zinc/59/18/02/733591802.db2.gz SHMPQXVQUVYQJG-GFCCVEGCSA-N 1 2 257.337 1.816 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(CC2CC2)n1 ZINC001032707171 733642964 /nfs/dbraw/zinc/64/29/64/733642964.db2.gz NTIGGTHTAZPFRD-STQMWFEESA-N 1 2 287.363 1.712 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(CC2CC2)n1 ZINC001032707171 733642971 /nfs/dbraw/zinc/64/29/71/733642971.db2.gz NTIGGTHTAZPFRD-STQMWFEESA-N 1 2 287.363 1.712 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnc(C)cn2)C1 ZINC001046116913 733646189 /nfs/dbraw/zinc/64/61/89/733646189.db2.gz DSIJAAMOBWUFJG-AWEZNQCLSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnc(C)cn2)C1 ZINC001046116913 733646193 /nfs/dbraw/zinc/64/61/93/733646193.db2.gz DSIJAAMOBWUFJG-AWEZNQCLSA-N 1 2 294.786 1.732 20 30 CDEDLO COc1cc(C[NH2+][C@@H](C)c2nnnn2C2CC2)ccc1C#N ZINC000799342480 733684301 /nfs/dbraw/zinc/68/43/01/733684301.db2.gz ROCTUXVTUQXMPO-JTQLQIEISA-N 1 2 298.350 1.739 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1cnc(COC)s1 ZINC001028350145 733717349 /nfs/dbraw/zinc/71/73/49/733717349.db2.gz DQEUEPSTKFOOOJ-NSHDSACASA-N 1 2 293.392 1.117 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnc(COC)s1 ZINC001028350145 733717355 /nfs/dbraw/zinc/71/73/55/733717355.db2.gz DQEUEPSTKFOOOJ-NSHDSACASA-N 1 2 293.392 1.117 20 30 CDEDLO C[C@H](CC(=O)NCc1nc(C#N)cs1)n1cc[nH+]c1 ZINC000887977085 733725754 /nfs/dbraw/zinc/72/57/54/733725754.db2.gz FEOPALVAYDTFLU-SECBINFHSA-N 1 2 275.337 1.479 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nccc2occc21 ZINC001038542234 733750662 /nfs/dbraw/zinc/75/06/62/733750662.db2.gz ZMRAGZDCAGRZCG-GFCCVEGCSA-N 1 2 283.331 1.655 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1nccc2occc21 ZINC001038542234 733750665 /nfs/dbraw/zinc/75/06/65/733750665.db2.gz ZMRAGZDCAGRZCG-GFCCVEGCSA-N 1 2 283.331 1.655 20 30 CDEDLO CCCCCCCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000874998883 733766521 /nfs/dbraw/zinc/76/65/21/733766521.db2.gz XPYMRONHIKSPEL-UHFFFAOYSA-N 1 2 280.372 1.086 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCCc3c[nH]nc32)C1 ZINC001030315729 733769272 /nfs/dbraw/zinc/76/92/72/733769272.db2.gz JBIBANCGLHUUTG-CYBMUJFWSA-N 1 2 274.368 1.206 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(CF)cc2)C1 ZINC001044350978 733778998 /nfs/dbraw/zinc/77/89/98/733778998.db2.gz YJEIBVMBWYJDNB-UHFFFAOYSA-N 1 2 274.339 1.936 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccon2)C1 ZINC001010388622 733805303 /nfs/dbraw/zinc/80/53/03/733805303.db2.gz WBUPPABBOQKQMD-LLVKDONJSA-N 1 2 269.732 1.160 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccon2)C1 ZINC001010388622 733805308 /nfs/dbraw/zinc/80/53/08/733805308.db2.gz WBUPPABBOQKQMD-LLVKDONJSA-N 1 2 269.732 1.160 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001032515744 733820597 /nfs/dbraw/zinc/82/05/97/733820597.db2.gz OPTNOASTRWPHQU-BYNSBNAKSA-N 1 2 274.408 1.977 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001032515744 733820598 /nfs/dbraw/zinc/82/05/98/733820598.db2.gz OPTNOASTRWPHQU-BYNSBNAKSA-N 1 2 274.408 1.977 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)[nH]n1 ZINC001039351770 733841344 /nfs/dbraw/zinc/84/13/44/733841344.db2.gz DMWRXARRWJGVGN-KGLIPLIRSA-N 1 2 286.379 1.284 20 30 CDEDLO C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)[nH]n1 ZINC001039351770 733841345 /nfs/dbraw/zinc/84/13/45/733841345.db2.gz DMWRXARRWJGVGN-KGLIPLIRSA-N 1 2 286.379 1.284 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1n[nH]cc1C ZINC001050907463 733843219 /nfs/dbraw/zinc/84/32/19/733843219.db2.gz YOAYDBNDVMVEKG-ZDUSSCGKSA-N 1 2 292.383 1.115 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1n[nH]cc1C ZINC001050907463 733843221 /nfs/dbraw/zinc/84/32/21/733843221.db2.gz YOAYDBNDVMVEKG-ZDUSSCGKSA-N 1 2 292.383 1.115 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(CC)nn2C)C1 ZINC001044085059 733858219 /nfs/dbraw/zinc/85/82/19/733858219.db2.gz SXIRNTPNVBZKNS-UHFFFAOYSA-N 1 2 276.384 1.315 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@]2(C)CCO[C@@H]2C)C1 ZINC001030727563 733870622 /nfs/dbraw/zinc/87/06/22/733870622.db2.gz XDINAPOJBVUVOT-BXUZGUMPSA-N 1 2 252.358 1.178 20 30 CDEDLO C#CC1CCN(C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000834298812 733883442 /nfs/dbraw/zinc/88/34/42/733883442.db2.gz BMUBXNGSTQUYIR-UHFFFAOYSA-N 1 2 299.374 1.817 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC001030714697 733941337 /nfs/dbraw/zinc/94/13/37/733941337.db2.gz AMPRXHXMNKUYDL-CABCVRRESA-N 1 2 276.380 1.158 20 30 CDEDLO C#CCCOc1ccc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)cc1 ZINC000191526219 733962826 /nfs/dbraw/zinc/96/28/26/733962826.db2.gz RXWNYMBRUSYWMH-WMLDXEAASA-N 1 2 289.375 1.670 20 30 CDEDLO C#CCCOc1ccc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)cc1 ZINC000191526219 733962833 /nfs/dbraw/zinc/96/28/33/733962833.db2.gz RXWNYMBRUSYWMH-WMLDXEAASA-N 1 2 289.375 1.670 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C23CCC(CC2)C3)C1 ZINC001035414003 733972653 /nfs/dbraw/zinc/97/26/53/733972653.db2.gz KVKWDRSZFYAINU-NPCAHTBFSA-N 1 2 278.396 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C23CCC(CC2)C3)C1 ZINC001035414003 733972657 /nfs/dbraw/zinc/97/26/57/733972657.db2.gz KVKWDRSZFYAINU-NPCAHTBFSA-N 1 2 278.396 1.570 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@](C)(O)C(F)F)c1 ZINC000885958034 733984727 /nfs/dbraw/zinc/98/47/27/733984727.db2.gz CFHUBXXQLVOXEQ-HNNXBMFYSA-N 1 2 296.317 1.554 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@](C)(O)C(F)F)c1 ZINC000885958034 733984731 /nfs/dbraw/zinc/98/47/31/733984731.db2.gz CFHUBXXQLVOXEQ-HNNXBMFYSA-N 1 2 296.317 1.554 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2sc(N(C)C)nc2C)C1 ZINC001031058811 733988231 /nfs/dbraw/zinc/98/82/31/733988231.db2.gz VONROFDQZOYYNV-UHFFFAOYSA-N 1 2 294.424 1.508 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(F)c(COC)c2)C1 ZINC001030931507 733996011 /nfs/dbraw/zinc/99/60/11/733996011.db2.gz KQIPPSJQIBALQS-UHFFFAOYSA-N 1 2 290.338 1.409 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001030364950 733996429 /nfs/dbraw/zinc/99/64/29/733996429.db2.gz WSFLWXFVRUMNMW-CQSZACIVSA-N 1 2 260.381 1.947 20 30 CDEDLO C=C1CC[NH+](CCn2cnc(Br)n2)CC1 ZINC000851764593 734036514 /nfs/dbraw/zinc/03/65/14/734036514.db2.gz KVYXARGZQHFGDU-UHFFFAOYSA-N 1 2 271.162 1.693 20 30 CDEDLO N#C[C@@]1(C(=O)OCCn2cc[nH+]c2)CC12CCCC2 ZINC000837903971 734053476 /nfs/dbraw/zinc/05/34/76/734053476.db2.gz VIDWLBXKHZFLGI-CQSZACIVSA-N 1 2 259.309 1.900 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2scnc2C)C1 ZINC001006834339 734087741 /nfs/dbraw/zinc/08/77/41/734087741.db2.gz RBXWAAAKEMOYLS-LBPRGKRZSA-N 1 2 277.393 1.669 20 30 CDEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2scnc2C)C1 ZINC001006834339 734087746 /nfs/dbraw/zinc/08/77/46/734087746.db2.gz RBXWAAAKEMOYLS-LBPRGKRZSA-N 1 2 277.393 1.669 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cncc1C ZINC001032518986 734107393 /nfs/dbraw/zinc/10/73/93/734107393.db2.gz JGPSYIQUXPAXKC-KBPBESRZSA-N 1 2 269.348 1.230 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cncc1C ZINC001032518986 734107400 /nfs/dbraw/zinc/10/74/00/734107400.db2.gz JGPSYIQUXPAXKC-KBPBESRZSA-N 1 2 269.348 1.230 20 30 CDEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@](CC)(C(C)C)C1=O ZINC000182622344 734112490 /nfs/dbraw/zinc/11/24/90/734112490.db2.gz YVCOZKHZXSTSEZ-CQSZACIVSA-N 1 2 267.373 1.808 20 30 CDEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@](CC)(C(C)C)C1=O ZINC000182622344 734112495 /nfs/dbraw/zinc/11/24/95/734112495.db2.gz YVCOZKHZXSTSEZ-CQSZACIVSA-N 1 2 267.373 1.808 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nc(C)n1 ZINC001018061507 734113319 /nfs/dbraw/zinc/11/33/19/734113319.db2.gz OKNYAXYDQRJHQR-OKILXGFUSA-N 1 2 286.379 1.568 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nc(C)n1 ZINC001018061507 734113326 /nfs/dbraw/zinc/11/33/26/734113326.db2.gz OKNYAXYDQRJHQR-OKILXGFUSA-N 1 2 286.379 1.568 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001030698422 734124093 /nfs/dbraw/zinc/12/40/93/734124093.db2.gz SMTRKRGOKUGYGO-FPMFFAJLSA-N 1 2 264.369 1.178 20 30 CDEDLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000782587388 734129736 /nfs/dbraw/zinc/12/97/36/734129736.db2.gz ZIMAXBPTBVHWLN-LBPRGKRZSA-N 1 2 273.336 1.251 20 30 CDEDLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000782587388 734129739 /nfs/dbraw/zinc/12/97/39/734129739.db2.gz ZIMAXBPTBVHWLN-LBPRGKRZSA-N 1 2 273.336 1.251 20 30 CDEDLO CC(C)[C@@H](O)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004434835 734143906 /nfs/dbraw/zinc/14/39/06/734143906.db2.gz LEBONXYEZIQUOM-HUUCEWRRSA-N 1 2 293.411 1.230 20 30 CDEDLO CC(C)[C@@H](O)C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004434835 734143913 /nfs/dbraw/zinc/14/39/13/734143913.db2.gz LEBONXYEZIQUOM-HUUCEWRRSA-N 1 2 293.411 1.230 20 30 CDEDLO CC#CC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000801116093 734150383 /nfs/dbraw/zinc/15/03/83/734150383.db2.gz IZCMJPFONGVHJS-UHFFFAOYSA-N 1 2 253.305 1.571 20 30 CDEDLO C[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)C[C@H](C)[NH+]1C ZINC000135263598 734155991 /nfs/dbraw/zinc/15/59/91/734155991.db2.gz RYMDWOZVVVHDAO-RYUDHWBXSA-N 1 2 293.392 1.271 20 30 CDEDLO C#Cc1cccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000837104915 734167701 /nfs/dbraw/zinc/16/77/01/734167701.db2.gz BEAUGEFGVQAEES-OAHLLOKOSA-N 1 2 279.343 1.743 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CC1CCCCC1 ZINC000884067346 734189913 /nfs/dbraw/zinc/18/99/13/734189913.db2.gz DOBMDURZRJFQFO-ZDUSSCGKSA-N 1 2 282.384 1.472 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2[nH]nnc2c1 ZINC001028311860 734198697 /nfs/dbraw/zinc/19/86/97/734198697.db2.gz WXIWFVWYLVWWPN-CYBMUJFWSA-N 1 2 297.362 1.175 20 30 CDEDLO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2[nH]nnc2c1 ZINC001028311860 734198702 /nfs/dbraw/zinc/19/87/02/734198702.db2.gz WXIWFVWYLVWWPN-CYBMUJFWSA-N 1 2 297.362 1.175 20 30 CDEDLO C=CC[N@H+](CCc1ccco1)CN1CC2(COC2)CC1=O ZINC000872596077 734200188 /nfs/dbraw/zinc/20/01/88/734200188.db2.gz BNCKORASYKDZJZ-UHFFFAOYSA-N 1 2 290.363 1.517 20 30 CDEDLO C=CC[N@@H+](CCc1ccco1)CN1CC2(COC2)CC1=O ZINC000872596077 734200193 /nfs/dbraw/zinc/20/01/93/734200193.db2.gz BNCKORASYKDZJZ-UHFFFAOYSA-N 1 2 290.363 1.517 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2scnc2Cl)C1 ZINC001016276243 734201261 /nfs/dbraw/zinc/20/12/61/734201261.db2.gz UPABZLXXPSFHFW-MRVPVSSYSA-N 1 2 269.757 1.234 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2scnc2Cl)C1 ZINC001016276243 734201262 /nfs/dbraw/zinc/20/12/62/734201262.db2.gz UPABZLXXPSFHFW-MRVPVSSYSA-N 1 2 269.757 1.234 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC001030303539 734201379 /nfs/dbraw/zinc/20/13/79/734201379.db2.gz YKHNXJIAIQBOMU-ZIAGYGMSSA-N 1 2 288.416 1.984 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C(C)=O)cc2)C1 ZINC000923583010 734228357 /nfs/dbraw/zinc/22/83/57/734228357.db2.gz QZJIRYUIDUMKSL-MRXNPFEDSA-N 1 2 284.359 1.717 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(C)=O)cc2)C1 ZINC000923583010 734228362 /nfs/dbraw/zinc/22/83/62/734228362.db2.gz QZJIRYUIDUMKSL-MRXNPFEDSA-N 1 2 284.359 1.717 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2ncccc21 ZINC001038567908 734260359 /nfs/dbraw/zinc/26/03/59/734260359.db2.gz JRIZUTOGBOPZKS-ZDUSSCGKSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2ncccc21 ZINC001038567908 734260361 /nfs/dbraw/zinc/26/03/61/734260361.db2.gz JRIZUTOGBOPZKS-ZDUSSCGKSA-N 1 2 279.343 1.672 20 30 CDEDLO COC(=O)c1coc(CO[NH+]=C(N)Cc2cccnc2)c1 ZINC000179927476 734285740 /nfs/dbraw/zinc/28/57/40/734285740.db2.gz QZDFQRMVLREWTF-UHFFFAOYSA-N 1 2 289.291 1.493 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001032047060 734303805 /nfs/dbraw/zinc/30/38/05/734303805.db2.gz OBHQGYRZYLJHCB-KBPBESRZSA-N 1 2 298.814 1.768 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cncnc2C2CC2)C1 ZINC001044247768 734306793 /nfs/dbraw/zinc/30/67/93/734306793.db2.gz NBRGVYVBYAQHDA-UHFFFAOYSA-N 1 2 286.379 1.686 20 30 CDEDLO Cc1nc(C)c(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)o1 ZINC000809967075 734320146 /nfs/dbraw/zinc/32/01/46/734320146.db2.gz YZMDGQOFYSVQDD-CQSZACIVSA-N 1 2 276.384 1.957 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2nc(CC3CC3)no2)CC1 ZINC000886780170 734337469 /nfs/dbraw/zinc/33/74/69/734337469.db2.gz BZHICEVSYJWDFB-UHFFFAOYSA-N 1 2 277.368 1.925 20 30 CDEDLO C[C@@H]1C[NH+]=C(NN=Cc2c(O)ccc(Cl)c2F)N1 ZINC000790172888 734340519 /nfs/dbraw/zinc/34/05/19/734340519.db2.gz ACTYDBBZKVHAHZ-ZCFIWIBFSA-N 1 2 270.695 1.456 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc3cccnc3n2)C1 ZINC001042757595 734354835 /nfs/dbraw/zinc/35/48/35/734354835.db2.gz BDWJMJIAMOSBLN-UHFFFAOYSA-N 1 2 296.374 1.962 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C2C[C@H](C)C[C@@H](C)C2)C1 ZINC001031453574 734398823 /nfs/dbraw/zinc/39/88/23/734398823.db2.gz DSKNYOZVSHIAMX-CHWSQXEVSA-N 1 2 262.397 1.882 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(F)nc2)C1 ZINC001042548048 734420791 /nfs/dbraw/zinc/42/07/91/734420791.db2.gz GFXRSMFDUXQQBQ-UHFFFAOYSA-N 1 2 261.300 1.000 20 30 CDEDLO C#CCOc1cccc(-c2noc([C@@H]3C[N@H+](C)CCO3)n2)c1 ZINC000842490824 734424100 /nfs/dbraw/zinc/42/41/00/734424100.db2.gz NOUOEHCAUNNNJS-AWEZNQCLSA-N 1 2 299.330 1.752 20 30 CDEDLO C#CCOc1cccc(-c2noc([C@@H]3C[N@@H+](C)CCO3)n2)c1 ZINC000842490824 734424103 /nfs/dbraw/zinc/42/41/03/734424103.db2.gz NOUOEHCAUNNNJS-AWEZNQCLSA-N 1 2 299.330 1.752 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(C#N)CC1 ZINC000925583969 734425162 /nfs/dbraw/zinc/42/51/62/734425162.db2.gz JHWOXOGAARDWEB-AWEZNQCLSA-N 1 2 294.399 1.042 20 30 CDEDLO C#CCC[NH+]1CCN(CCc2nc(C)c(C(C)=O)[nH]2)CC1 ZINC000851872920 734439724 /nfs/dbraw/zinc/43/97/24/734439724.db2.gz NLASWDHVUIHMJO-UHFFFAOYSA-N 1 2 288.395 1.104 20 30 CDEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857942454 734457022 /nfs/dbraw/zinc/45/70/22/734457022.db2.gz BHGXARKDGHHJJA-OAHLLOKOSA-N 1 2 279.343 1.538 20 30 CDEDLO C=CC[C@H](C)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925584212 734463487 /nfs/dbraw/zinc/46/34/87/734463487.db2.gz BHCZGKPXVKZJBM-STQMWFEESA-N 1 2 269.389 1.361 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3[nH]ccc32)C1 ZINC001030995778 734491908 /nfs/dbraw/zinc/49/19/08/734491908.db2.gz UYYRFOTWKUYUNE-UHFFFAOYSA-N 1 2 267.332 1.605 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCn3nccc32)C1 ZINC001043130275 734506105 /nfs/dbraw/zinc/50/61/05/734506105.db2.gz DGCPCDVIEWHRHA-CYBMUJFWSA-N 1 2 274.368 1.089 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1sccc1COC ZINC001038911353 734515453 /nfs/dbraw/zinc/51/54/53/734515453.db2.gz DJDVRVAKXMRJFY-LBPRGKRZSA-N 1 2 280.393 1.885 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1sccc1COC ZINC001038911353 734515464 /nfs/dbraw/zinc/51/54/64/734515464.db2.gz DJDVRVAKXMRJFY-LBPRGKRZSA-N 1 2 280.393 1.885 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccn2cc(C)nc2c1 ZINC000856288456 734519690 /nfs/dbraw/zinc/51/96/90/734519690.db2.gz SZQUKZVCPNYXMN-AWEZNQCLSA-N 1 2 282.347 1.679 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccn2cc(C)nc2c1 ZINC000856288456 734519694 /nfs/dbraw/zinc/51/96/94/734519694.db2.gz SZQUKZVCPNYXMN-AWEZNQCLSA-N 1 2 282.347 1.679 20 30 CDEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnco3)C[C@H]21 ZINC001074307719 734527384 /nfs/dbraw/zinc/52/73/84/734527384.db2.gz NHURIOQATQLBQS-OLZOCXBDSA-N 1 2 291.351 1.166 20 30 CDEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnco3)C[C@H]21 ZINC001074307719 734527389 /nfs/dbraw/zinc/52/73/89/734527389.db2.gz NHURIOQATQLBQS-OLZOCXBDSA-N 1 2 291.351 1.166 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cncn2C)C1 ZINC001033235566 734537357 /nfs/dbraw/zinc/53/73/57/734537357.db2.gz PZBMWRLRCPOWCD-LLVKDONJSA-N 1 2 282.775 1.319 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cncn2C)C1 ZINC001033235566 734537362 /nfs/dbraw/zinc/53/73/62/734537362.db2.gz PZBMWRLRCPOWCD-LLVKDONJSA-N 1 2 282.775 1.319 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cccc(F)c2F)C1 ZINC001031016876 734538483 /nfs/dbraw/zinc/53/84/83/734538483.db2.gz CFDZIJZHZWPKEB-UHFFFAOYSA-N 1 2 280.318 1.884 20 30 CDEDLO C#CCO[C@@H](C)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000827557115 734540290 /nfs/dbraw/zinc/54/02/90/734540290.db2.gz HQJAYIOFDKQNNW-NSHDSACASA-N 1 2 261.325 1.433 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccnn2CC)C1 ZINC001010749001 734559039 /nfs/dbraw/zinc/55/90/39/734559039.db2.gz QHWOMTXYUPSVRO-LLVKDONJSA-N 1 2 282.775 1.460 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccnn2CC)C1 ZINC001010749001 734559047 /nfs/dbraw/zinc/55/90/47/734559047.db2.gz QHWOMTXYUPSVRO-LLVKDONJSA-N 1 2 282.775 1.460 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CC(CC)CC)C1 ZINC000885511916 734562679 /nfs/dbraw/zinc/56/26/79/734562679.db2.gz OTNHQGQCNRDPDF-CQSZACIVSA-N 1 2 286.441 1.440 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CC(CC)CC)C1 ZINC000885511916 734562681 /nfs/dbraw/zinc/56/26/81/734562681.db2.gz OTNHQGQCNRDPDF-CQSZACIVSA-N 1 2 286.441 1.440 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC)cc1 ZINC000093050292 734580153 /nfs/dbraw/zinc/58/01/53/734580153.db2.gz KBCZLLOMSLVHGJ-OAHLLOKOSA-N 1 2 272.348 1.409 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC)cc1 ZINC000093050292 734580156 /nfs/dbraw/zinc/58/01/56/734580156.db2.gz KBCZLLOMSLVHGJ-OAHLLOKOSA-N 1 2 272.348 1.409 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2C[C@@]2(CC)C(C)C)C1 ZINC001031180123 734644190 /nfs/dbraw/zinc/64/41/90/734644190.db2.gz KABXHHHXHKSSNM-ZBFHGGJFSA-N 1 2 262.397 1.882 20 30 CDEDLO C[C@@H]1CC(N=Nc2cccc(S(C)(=O)=O)c2)C[N@@H+]1C ZINC000776260404 734648408 /nfs/dbraw/zinc/64/84/08/734648408.db2.gz CPXAOQPTPALMAR-SNVBAGLBSA-N 1 2 281.381 1.582 20 30 CDEDLO C[C@@H]1CC(N=Nc2cccc(S(C)(=O)=O)c2)C[N@H+]1C ZINC000776260404 734648412 /nfs/dbraw/zinc/64/84/12/734648412.db2.gz CPXAOQPTPALMAR-SNVBAGLBSA-N 1 2 281.381 1.582 20 30 CDEDLO C=CCNC(=O)[C@@H](C)OC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848780581 734666263 /nfs/dbraw/zinc/66/62/63/734666263.db2.gz LSNIOEHRRTXYDD-LLVKDONJSA-N 1 2 287.319 1.490 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)C#Cc2cccs2)[C@@H](C)CO1 ZINC000855406542 734671084 /nfs/dbraw/zinc/67/10/84/734671084.db2.gz FGGJUJZLJBTJRU-QWHCGFSZSA-N 1 2 292.404 1.325 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)C#Cc2cccs2)[C@@H](C)CO1 ZINC000855406542 734671098 /nfs/dbraw/zinc/67/10/98/734671098.db2.gz FGGJUJZLJBTJRU-QWHCGFSZSA-N 1 2 292.404 1.325 20 30 CDEDLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@H+](CCCCC#N)C1 ZINC000879765649 734671165 /nfs/dbraw/zinc/67/11/65/734671165.db2.gz PGMJRPXEVHMPAB-LLVKDONJSA-N 1 2 277.290 1.823 20 30 CDEDLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@@H+](CCCCC#N)C1 ZINC000879765649 734671171 /nfs/dbraw/zinc/67/11/71/734671171.db2.gz PGMJRPXEVHMPAB-LLVKDONJSA-N 1 2 277.290 1.823 20 30 CDEDLO CSCc1n[nH]c(C[NH2+][C@@H]2CC[C@H](C#N)C2)n1 ZINC000886757890 734699755 /nfs/dbraw/zinc/69/97/55/734699755.db2.gz ULDHVEOVLVRYMY-DTWKUNHWSA-N 1 2 251.359 1.450 20 30 CDEDLO CSCc1nnc(C[NH2+][C@@H]2CC[C@H](C#N)C2)[nH]1 ZINC000886757890 734699757 /nfs/dbraw/zinc/69/97/57/734699757.db2.gz ULDHVEOVLVRYMY-DTWKUNHWSA-N 1 2 251.359 1.450 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCc3n[nH]cc3C2)C1 ZINC001044180413 734762558 /nfs/dbraw/zinc/76/25/58/734762558.db2.gz IZXJDSRSDUZQEW-LBPRGKRZSA-N 1 2 288.395 1.233 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccc(F)c(F)c2)C1 ZINC001043683319 734773767 /nfs/dbraw/zinc/77/37/67/734773767.db2.gz XDLWMYBWTNVMRQ-UHFFFAOYSA-N 1 2 280.318 1.836 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(C)(NC(=O)c2nnc[nH]2)CC1 ZINC001045592146 734778116 /nfs/dbraw/zinc/77/81/16/734778116.db2.gz QJMRTGCSJMYPGM-UHFFFAOYSA-N 1 2 283.763 1.142 20 30 CDEDLO C#CC[NH+]1CCN(CN2C[C@H](c3ccccc3)OC2=O)CC1 ZINC000863254467 734790643 /nfs/dbraw/zinc/79/06/43/734790643.db2.gz HUHFLHASUSGJIV-MRXNPFEDSA-N 1 2 299.374 1.388 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(C(C)(C)C)c1 ZINC001038439345 734804958 /nfs/dbraw/zinc/80/49/58/734804958.db2.gz RJRXTTLCOCKTFD-ZDUSSCGKSA-N 1 2 274.368 1.075 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(C(C)(C)C)c1 ZINC001038439345 734804960 /nfs/dbraw/zinc/80/49/60/734804960.db2.gz RJRXTTLCOCKTFD-ZDUSSCGKSA-N 1 2 274.368 1.075 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCCOCC2)C1 ZINC001031641266 734805102 /nfs/dbraw/zinc/80/51/02/734805102.db2.gz QFAYILCGZZRKOW-ZDUSSCGKSA-N 1 2 286.803 1.604 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000884374680 734813372 /nfs/dbraw/zinc/81/33/72/734813372.db2.gz YRXSNKWJSLJFAG-AVGNSLFASA-N 1 2 280.368 1.224 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ncc[nH]2)CC[C@H]1C ZINC001071496964 734818837 /nfs/dbraw/zinc/81/88/37/734818837.db2.gz ALRBMMOLALVRED-MNOVXSKESA-N 1 2 282.775 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ncc[nH]2)CC[C@H]1C ZINC001071496964 734818841 /nfs/dbraw/zinc/81/88/41/734818841.db2.gz ALRBMMOLALVRED-MNOVXSKESA-N 1 2 282.775 1.745 20 30 CDEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)CC)C2)CC1 ZINC001051984541 734834950 /nfs/dbraw/zinc/83/49/50/734834950.db2.gz JTBDABOIYOTTQP-CVEARBPZSA-N 1 2 291.439 1.274 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)CCN2C ZINC001038893165 734839916 /nfs/dbraw/zinc/83/99/16/734839916.db2.gz YEOGDAWUYUVPOV-OAHLLOKOSA-N 1 2 283.375 1.116 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)CCN2C ZINC001038893165 734839918 /nfs/dbraw/zinc/83/99/18/734839918.db2.gz YEOGDAWUYUVPOV-OAHLLOKOSA-N 1 2 283.375 1.116 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccnc1C1CC1 ZINC001038450337 734840870 /nfs/dbraw/zinc/84/08/70/734840870.db2.gz JFLIQHVWMBNIAL-CQSZACIVSA-N 1 2 283.375 1.786 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccnc1C1CC1 ZINC001038450337 734840871 /nfs/dbraw/zinc/84/08/71/734840871.db2.gz JFLIQHVWMBNIAL-CQSZACIVSA-N 1 2 283.375 1.786 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnn(C)c2C)C1 ZINC001032915129 734854690 /nfs/dbraw/zinc/85/46/90/734854690.db2.gz LXDDUFYGTMVFQL-LBPRGKRZSA-N 1 2 296.802 1.627 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(C)c2C)C1 ZINC001032915129 734854691 /nfs/dbraw/zinc/85/46/91/734854691.db2.gz LXDDUFYGTMVFQL-LBPRGKRZSA-N 1 2 296.802 1.627 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1nocc1C)CO2 ZINC001053975591 734856269 /nfs/dbraw/zinc/85/62/69/734856269.db2.gz KJNIYDWSZMSSLO-GFCCVEGCSA-N 1 2 291.351 1.132 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@@H]3CCCCO3)C2)cc1 ZINC001030775683 734865310 /nfs/dbraw/zinc/86/53/10/734865310.db2.gz WHUOGVJRZBSXTG-KRWDZBQOSA-N 1 2 298.386 1.651 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CC=CC1 ZINC001017889339 734877032 /nfs/dbraw/zinc/87/70/32/734877032.db2.gz UBBLTOWVPYSUBX-OKILXGFUSA-N 1 2 258.365 1.651 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CC=CC1 ZINC001017889339 734877035 /nfs/dbraw/zinc/87/70/35/734877035.db2.gz UBBLTOWVPYSUBX-OKILXGFUSA-N 1 2 258.365 1.651 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)n(CC)c1C ZINC001038472140 734881597 /nfs/dbraw/zinc/88/15/97/734881597.db2.gz UMTPSACXBHTVQN-CQSZACIVSA-N 1 2 273.380 1.562 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)n(CC)c1C ZINC001038472140 734881600 /nfs/dbraw/zinc/88/16/00/734881600.db2.gz UMTPSACXBHTVQN-CQSZACIVSA-N 1 2 273.380 1.562 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CN(C(=O)C(F)C(F)(F)F)C[C@H]2C1 ZINC001048831514 734904942 /nfs/dbraw/zinc/90/49/42/734904942.db2.gz RYXJNIMNCAXDFZ-KXUCPTDWSA-N 1 2 280.265 1.463 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CN(C(=O)C(F)C(F)(F)F)C[C@H]2C1 ZINC001048831514 734904951 /nfs/dbraw/zinc/90/49/51/734904951.db2.gz RYXJNIMNCAXDFZ-KXUCPTDWSA-N 1 2 280.265 1.463 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]2C1 ZINC001048831514 734904955 /nfs/dbraw/zinc/90/49/55/734904955.db2.gz RYXJNIMNCAXDFZ-KXUCPTDWSA-N 1 2 280.265 1.463 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]2C1 ZINC001048831514 734904961 /nfs/dbraw/zinc/90/49/61/734904961.db2.gz RYXJNIMNCAXDFZ-KXUCPTDWSA-N 1 2 280.265 1.463 20 30 CDEDLO CC(=NNc1[nH+]ccn1C)c1ccc(S(C)(=O)=O)cc1 ZINC000790300032 734931341 /nfs/dbraw/zinc/93/13/41/734931341.db2.gz NFKGVGJXYQLDNP-UHFFFAOYSA-N 1 2 292.364 1.660 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2csnc2C)C1 ZINC001030237149 734933698 /nfs/dbraw/zinc/93/36/98/734933698.db2.gz ZNWUWRAPMXXBFK-UHFFFAOYSA-N 1 2 251.355 1.442 20 30 CDEDLO C=C[C@@H](C)ONC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000845627947 734953858 /nfs/dbraw/zinc/95/38/58/734953858.db2.gz VGBXUVFIZBAZCZ-MNOVXSKESA-N 1 2 264.329 1.425 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cncc(C(F)(F)F)c1 ZINC001038880311 734958143 /nfs/dbraw/zinc/95/81/43/734958143.db2.gz WSUXABPRIPAAJU-GFCCVEGCSA-N 1 2 297.280 1.538 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncc(C(F)(F)F)c1 ZINC001038880311 734958147 /nfs/dbraw/zinc/95/81/47/734958147.db2.gz WSUXABPRIPAAJU-GFCCVEGCSA-N 1 2 297.280 1.538 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CC)n2CC2CC2)CC1 ZINC000830564821 734962045 /nfs/dbraw/zinc/96/20/45/734962045.db2.gz IIMBEWKHYHVJDI-UHFFFAOYSA-N 1 2 273.384 1.006 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc[nH]c(=O)c2)C1 ZINC001032995891 734977643 /nfs/dbraw/zinc/97/76/43/734977643.db2.gz FEPAJKMYWBHTEO-LBPRGKRZSA-N 1 2 295.770 1.686 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc[nH]c(=O)c2)C1 ZINC001032995891 734977646 /nfs/dbraw/zinc/97/76/46/734977646.db2.gz FEPAJKMYWBHTEO-LBPRGKRZSA-N 1 2 295.770 1.686 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC13CCC3)CCO2 ZINC001053450931 735014303 /nfs/dbraw/zinc/01/43/03/735014303.db2.gz PWDJVRWSRXCLAY-CQSZACIVSA-N 1 2 290.407 1.666 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2CCOCC2)C1 ZINC001010400121 735039518 /nfs/dbraw/zinc/03/95/18/735039518.db2.gz MPPMMAFNYCUQFT-ZDUSSCGKSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC2CCOCC2)C1 ZINC001010400121 735039521 /nfs/dbraw/zinc/03/95/21/735039521.db2.gz MPPMMAFNYCUQFT-ZDUSSCGKSA-N 1 2 286.803 1.746 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001019238238 735069893 /nfs/dbraw/zinc/06/98/93/735069893.db2.gz RZOLFCLQQYWHMJ-NSHDSACASA-N 1 2 278.356 1.281 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(N)=O)C2)CC1 ZINC001071796434 735075813 /nfs/dbraw/zinc/07/58/13/735075813.db2.gz RSADHNLUCHECTQ-GXTWGEPZSA-N 1 2 293.411 1.187 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(N)=O)C2)CC1 ZINC001071796434 735075816 /nfs/dbraw/zinc/07/58/16/735075816.db2.gz RSADHNLUCHECTQ-GXTWGEPZSA-N 1 2 293.411 1.187 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn(CC3CC3)c2)C1 ZINC001031212553 735081439 /nfs/dbraw/zinc/08/14/39/735081439.db2.gz DJZZUXFSHQREOH-UHFFFAOYSA-N 1 2 274.368 1.283 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]12CCC[C@H]1OCC2 ZINC001032515511 735097876 /nfs/dbraw/zinc/09/78/76/735097876.db2.gz CWJJYOJFROIKOL-MPTYRVRUSA-N 1 2 288.391 1.254 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]12CCC[C@H]1OCC2 ZINC001032515511 735097882 /nfs/dbraw/zinc/09/78/82/735097882.db2.gz CWJJYOJFROIKOL-MPTYRVRUSA-N 1 2 288.391 1.254 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCO[C@@H](CC)C2)C1 ZINC001044151246 735146361 /nfs/dbraw/zinc/14/63/61/735146361.db2.gz AQGYVXLYYQNLII-JSGCOSHPSA-N 1 2 266.385 1.520 20 30 CDEDLO C#CCOCC[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000851979716 735164696 /nfs/dbraw/zinc/16/46/96/735164696.db2.gz HKWKXPCZRRDXRB-INIZCTEOSA-N 1 2 275.348 1.416 20 30 CDEDLO C#CCOCC[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000851979716 735164699 /nfs/dbraw/zinc/16/46/99/735164699.db2.gz HKWKXPCZRRDXRB-INIZCTEOSA-N 1 2 275.348 1.416 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccnn1C ZINC001027783388 735179864 /nfs/dbraw/zinc/17/98/64/735179864.db2.gz WUKSLYDJXVITGF-NSHDSACASA-N 1 2 282.775 1.367 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccnn1C ZINC001027783388 735179865 /nfs/dbraw/zinc/17/98/65/735179865.db2.gz WUKSLYDJXVITGF-NSHDSACASA-N 1 2 282.775 1.367 20 30 CDEDLO CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CCN(CC#N)CC1 ZINC001005583947 735187385 /nfs/dbraw/zinc/18/73/85/735187385.db2.gz PDQNZJHAANKVAF-UHFFFAOYSA-N 1 2 297.362 1.623 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccn[nH]3)C[C@H]21 ZINC001041957190 735191755 /nfs/dbraw/zinc/19/17/55/735191755.db2.gz DKUWNRMRRKCOFO-WCQYABFASA-N 1 2 294.786 1.699 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccn[nH]3)C[C@H]21 ZINC001041957190 735191757 /nfs/dbraw/zinc/19/17/57/735191757.db2.gz DKUWNRMRRKCOFO-WCQYABFASA-N 1 2 294.786 1.699 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c(C)nn(C)c2Cl)C1 ZINC001043494533 735194947 /nfs/dbraw/zinc/19/49/47/735194947.db2.gz QTJGIBBKESDLFQ-UHFFFAOYSA-N 1 2 296.802 1.714 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(F)c1F ZINC001038650138 735209921 /nfs/dbraw/zinc/20/99/21/735209921.db2.gz FQYSVXBJYFSBST-JTQLQIEISA-N 1 2 264.275 1.402 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(F)c1F ZINC001038650138 735209923 /nfs/dbraw/zinc/20/99/23/735209923.db2.gz FQYSVXBJYFSBST-JTQLQIEISA-N 1 2 264.275 1.402 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C(F)(F)F)nc1 ZINC001038574880 735210009 /nfs/dbraw/zinc/21/00/09/735210009.db2.gz HWSHFUIGCXLFTE-NSHDSACASA-N 1 2 297.280 1.538 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(F)(F)F)nc1 ZINC001038574880 735210012 /nfs/dbraw/zinc/21/00/12/735210012.db2.gz HWSHFUIGCXLFTE-NSHDSACASA-N 1 2 297.280 1.538 20 30 CDEDLO CC(C)OCCO[NH+]=C1CCCc2nc(N)ncc21 ZINC000814937214 735237076 /nfs/dbraw/zinc/23/70/76/735237076.db2.gz YJMGBKKUWKHYMZ-UHFFFAOYSA-N 1 2 264.329 1.541 20 30 CDEDLO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1snnc1C1CC1 ZINC001038371898 735251773 /nfs/dbraw/zinc/25/17/73/735251773.db2.gz PTSSDGHZEYYNDR-NSHDSACASA-N 1 2 290.392 1.243 20 30 CDEDLO C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1snnc1C1CC1 ZINC001038371898 735251780 /nfs/dbraw/zinc/25/17/80/735251780.db2.gz PTSSDGHZEYYNDR-NSHDSACASA-N 1 2 290.392 1.243 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001046549631 735277351 /nfs/dbraw/zinc/27/73/51/735277351.db2.gz IUAMDDNYBCSQDX-XHVZSJERSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001046549631 735277356 /nfs/dbraw/zinc/27/73/56/735277356.db2.gz IUAMDDNYBCSQDX-XHVZSJERSA-N 1 2 256.777 1.976 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2cncc(F)c2)CC1 ZINC000112920138 735560388 /nfs/dbraw/zinc/56/03/88/735560388.db2.gz WWYFAQNBMBEIBN-ONEGZZNKSA-N 1 2 273.311 1.011 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnns2)CC[C@H]1C ZINC001071365571 735577953 /nfs/dbraw/zinc/57/79/53/735577953.db2.gz ARUNCHXSAQVECM-MNOVXSKESA-N 1 2 278.381 1.144 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnns2)CC[C@H]1C ZINC001071365571 735577964 /nfs/dbraw/zinc/57/79/64/735577964.db2.gz ARUNCHXSAQVECM-MNOVXSKESA-N 1 2 278.381 1.144 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C)n1C ZINC001017854159 735594523 /nfs/dbraw/zinc/59/45/23/735594523.db2.gz WLDPMAXVSCBZSR-OKILXGFUSA-N 1 2 286.379 1.041 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C)n1C ZINC001017854159 735594533 /nfs/dbraw/zinc/59/45/33/735594533.db2.gz WLDPMAXVSCBZSR-OKILXGFUSA-N 1 2 286.379 1.041 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cocn3)C[C@H]21 ZINC001041972943 735598244 /nfs/dbraw/zinc/59/82/44/735598244.db2.gz QGQYJGQACGMMIN-DGCLKSJQSA-N 1 2 295.770 1.964 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cocn3)C[C@H]21 ZINC001041972943 735598254 /nfs/dbraw/zinc/59/82/54/735598254.db2.gz QGQYJGQACGMMIN-DGCLKSJQSA-N 1 2 295.770 1.964 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001039090535 735640508 /nfs/dbraw/zinc/64/05/08/735640508.db2.gz BYYYIDNFOWPCPK-HZPDHXFCSA-N 1 2 298.386 1.512 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001039090535 735640516 /nfs/dbraw/zinc/64/05/16/735640516.db2.gz BYYYIDNFOWPCPK-HZPDHXFCSA-N 1 2 298.386 1.512 20 30 CDEDLO Cc1nc(NC[C@H]2CCCCN2C(=O)[C@H](C)C#N)cc[nH+]1 ZINC001060223188 735653564 /nfs/dbraw/zinc/65/35/64/735653564.db2.gz PFRUBKATIGYPMO-DGCLKSJQSA-N 1 2 287.367 1.738 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2C[C@H](C)O[C@H](C(=O)OC)C2)cc1 ZINC000846060772 735692536 /nfs/dbraw/zinc/69/25/36/735692536.db2.gz UWACJESGJLFAHW-WFASDCNBSA-N 1 2 273.332 1.430 20 30 CDEDLO C#Cc1ccc(C[N@H+]2C[C@H](C)O[C@H](C(=O)OC)C2)cc1 ZINC000846060772 735692545 /nfs/dbraw/zinc/69/25/45/735692545.db2.gz UWACJESGJLFAHW-WFASDCNBSA-N 1 2 273.332 1.430 20 30 CDEDLO N#Cc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)o1 ZINC000857945522 735712304 /nfs/dbraw/zinc/71/23/04/735712304.db2.gz RQLXFNPOQFQICR-SECBINFHSA-N 1 2 256.265 1.093 20 30 CDEDLO C=C(C)C[C@H](CO)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000882892066 735762126 /nfs/dbraw/zinc/76/21/26/735762126.db2.gz LTBBZLZJKLXDMM-MRXNPFEDSA-N 1 2 299.374 1.988 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(CC)nc1C1CC1 ZINC001038299602 735792337 /nfs/dbraw/zinc/79/23/37/735792337.db2.gz DNRUNPXEKNVLFR-CYBMUJFWSA-N 1 2 286.379 1.218 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(CC)nc1C1CC1 ZINC001038299602 735792343 /nfs/dbraw/zinc/79/23/43/735792343.db2.gz DNRUNPXEKNVLFR-CYBMUJFWSA-N 1 2 286.379 1.218 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3nccn3c2)C1 ZINC001044170251 735804781 /nfs/dbraw/zinc/80/47/81/735804781.db2.gz JXKWYLWKBMBAKX-UHFFFAOYSA-N 1 2 282.347 1.114 20 30 CDEDLO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@H+](C/C=C\Cl)C[C@@H]2O)C1 ZINC001047519736 735828307 /nfs/dbraw/zinc/82/83/07/735828307.db2.gz OHCBGWQMPZLKEE-AIMRDXAKSA-N 1 2 298.814 1.599 20 30 CDEDLO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2O)C1 ZINC001047519736 735828308 /nfs/dbraw/zinc/82/83/08/735828308.db2.gz OHCBGWQMPZLKEE-AIMRDXAKSA-N 1 2 298.814 1.599 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1C(F)F ZINC001038349402 735876593 /nfs/dbraw/zinc/87/65/93/735876593.db2.gz MGQVEJFWKNBDOP-JTQLQIEISA-N 1 2 296.321 1.185 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1C(F)F ZINC001038349402 735876597 /nfs/dbraw/zinc/87/65/97/735876597.db2.gz MGQVEJFWKNBDOP-JTQLQIEISA-N 1 2 296.321 1.185 20 30 CDEDLO C=CCCn1cc(C[NH+]2CCC(O)(CC=C)CC2)nn1 ZINC000886778853 735987933 /nfs/dbraw/zinc/98/79/33/735987933.db2.gz YADOJAPBMYZELJ-UHFFFAOYSA-N 1 2 276.384 1.757 20 30 CDEDLO C#CC[C@H]([NH2+][C@H]1CCCC12CCOCC2)C(=O)OC ZINC000839169285 736033301 /nfs/dbraw/zinc/03/33/01/736033301.db2.gz QVSUXMQNWMYPKH-STQMWFEESA-N 1 2 265.353 1.490 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2scnc2C)C1 ZINC001032932082 736048524 /nfs/dbraw/zinc/04/85/24/736048524.db2.gz OKTMLFFHIQNSLJ-NSHDSACASA-N 1 2 263.366 1.231 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2scnc2C)C1 ZINC001032932082 736048530 /nfs/dbraw/zinc/04/85/30/736048530.db2.gz OKTMLFFHIQNSLJ-NSHDSACASA-N 1 2 263.366 1.231 20 30 CDEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cocn3)C[C@@H]21 ZINC001074189987 736057032 /nfs/dbraw/zinc/05/70/32/736057032.db2.gz KWBYPUPWCJOECH-KBPBESRZSA-N 1 2 291.351 1.166 20 30 CDEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cocn3)C[C@@H]21 ZINC001074189987 736057037 /nfs/dbraw/zinc/05/70/37/736057037.db2.gz KWBYPUPWCJOECH-KBPBESRZSA-N 1 2 291.351 1.166 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)n(C)nc1Cl ZINC001038976213 736105295 /nfs/dbraw/zinc/10/52/95/736105295.db2.gz NZXKSIWBDDAJCZ-LLVKDONJSA-N 1 2 294.786 1.209 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)n(C)nc1Cl ZINC001038976213 736105310 /nfs/dbraw/zinc/10/53/10/736105310.db2.gz NZXKSIWBDDAJCZ-LLVKDONJSA-N 1 2 294.786 1.209 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1OCC1CC1 ZINC001039042684 736236059 /nfs/dbraw/zinc/23/60/59/736236059.db2.gz WAAYZRMXXXJROT-HNNXBMFYSA-N 1 2 298.386 1.913 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1OCC1CC1 ZINC001039042684 736236062 /nfs/dbraw/zinc/23/60/62/736236062.db2.gz WAAYZRMXXXJROT-HNNXBMFYSA-N 1 2 298.386 1.913 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](C)C1 ZINC001018021711 736247837 /nfs/dbraw/zinc/24/78/37/736247837.db2.gz CKCOGVWZCCYJAO-BARDWOONSA-N 1 2 260.381 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](C)C1 ZINC001018021711 736247845 /nfs/dbraw/zinc/24/78/45/736247845.db2.gz CKCOGVWZCCYJAO-BARDWOONSA-N 1 2 260.381 1.731 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC13CC3)O2 ZINC001053667782 736266556 /nfs/dbraw/zinc/26/65/56/736266556.db2.gz DTOUHSXWILHGAC-QWHCGFSZSA-N 1 2 276.380 1.322 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc3n[nH]cc3c2)C1 ZINC001043678857 736310445 /nfs/dbraw/zinc/31/04/45/736310445.db2.gz LDMQQDBGTFXSNZ-UHFFFAOYSA-N 1 2 284.363 1.895 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccncc2F)C1 ZINC001035315150 736324456 /nfs/dbraw/zinc/32/44/56/736324456.db2.gz AUMGBCQYKDFVCV-LBPRGKRZSA-N 1 2 293.342 1.227 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccncc2F)C1 ZINC001035315150 736324461 /nfs/dbraw/zinc/32/44/61/736324461.db2.gz AUMGBCQYKDFVCV-LBPRGKRZSA-N 1 2 293.342 1.227 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000874706551 1165656537 /nfs/dbraw/zinc/65/65/37/1165656537.db2.gz SAUDLSARMJDAGX-HIFRSBDPSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000874706551 1165656540 /nfs/dbraw/zinc/65/65/40/1165656540.db2.gz SAUDLSARMJDAGX-HIFRSBDPSA-N 1 2 268.401 1.816 20 30 CDEDLO Cc1cc(C)c(CNC(=O)c2cc(C#N)c[nH]2)c[nH+]1 ZINC001629923360 1166173392 /nfs/dbraw/zinc/17/33/92/1166173392.db2.gz HLWSLWRBWOFQQZ-UHFFFAOYSA-N 1 2 254.293 1.828 20 30 CDEDLO CCC[N@@H+]1CCCC[C@H]1C(=O)[C@H](C#N)c1ccncn1 ZINC001649174722 1166759603 /nfs/dbraw/zinc/75/96/03/1166759603.db2.gz OWPXZDHJLZYFAD-OCCSQVGLSA-N 1 2 272.352 1.917 20 30 CDEDLO CCC[N@H+]1CCCC[C@H]1C(=O)[C@H](C#N)c1ccncn1 ZINC001649174722 1166759613 /nfs/dbraw/zinc/75/96/13/1166759613.db2.gz OWPXZDHJLZYFAD-OCCSQVGLSA-N 1 2 272.352 1.917 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cnc(C3OCCO3)s2)C1 ZINC001645879404 1167549132 /nfs/dbraw/zinc/54/91/32/1167549132.db2.gz IQBTUOXZPWBYQO-CYBMUJFWSA-N 1 2 295.364 1.039 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cnc(C3OCCO3)s2)C1 ZINC001645879404 1167549135 /nfs/dbraw/zinc/54/91/35/1167549135.db2.gz IQBTUOXZPWBYQO-CYBMUJFWSA-N 1 2 295.364 1.039 20 30 CDEDLO C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCC[N@@H+]2C)n1C ZINC001646686016 1168042536 /nfs/dbraw/zinc/04/25/36/1168042536.db2.gz NNTLHCQIBJPRCG-NEPJUHHUSA-N 1 2 276.388 1.568 20 30 CDEDLO C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCC[N@H+]2C)n1C ZINC001646686016 1168042540 /nfs/dbraw/zinc/04/25/40/1168042540.db2.gz NNTLHCQIBJPRCG-NEPJUHHUSA-N 1 2 276.388 1.568 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001095107333 912456097 /nfs/dbraw/zinc/45/60/97/912456097.db2.gz SNHWSVVGEGPZOV-CYBMUJFWSA-N 1 2 274.368 1.788 20 30 CDEDLO COC(=O)c1ccc(C[C@@H](C)N2CC[NH2+]C[C@H]2C#N)cc1 ZINC001173720503 912752418 /nfs/dbraw/zinc/75/24/18/912752418.db2.gz VBSAVPXLUPDEQK-IUODEOHRSA-N 1 2 287.363 1.202 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(=C)Cl)C[C@@H]1O ZINC001099944209 912870385 /nfs/dbraw/zinc/87/03/85/912870385.db2.gz JYLNFCQINNSXSL-NEPJUHHUSA-N 1 2 286.803 1.503 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC(=C)Cl)C[C@@H]1O ZINC001099944209 912870404 /nfs/dbraw/zinc/87/04/04/912870404.db2.gz JYLNFCQINNSXSL-NEPJUHHUSA-N 1 2 286.803 1.503 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnc[nH]c2=O)C1 ZINC001046408867 913405003 /nfs/dbraw/zinc/40/50/03/913405003.db2.gz BRCFIVIBMGMSCX-ZDUSSCGKSA-N 1 2 296.758 1.129 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnc[nH]c2=O)C1 ZINC001046408867 913405016 /nfs/dbraw/zinc/40/50/16/913405016.db2.gz BRCFIVIBMGMSCX-ZDUSSCGKSA-N 1 2 296.758 1.129 20 30 CDEDLO COc1ncnc(Nc2ccc(N(C)C)[nH+]c2)c1C#N ZINC001175342360 913524370 /nfs/dbraw/zinc/52/43/70/913524370.db2.gz OFYKZNNHMUDXHF-UHFFFAOYSA-N 1 2 270.296 1.561 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1-c1ccc(C#N)c(C)c1 ZINC001210802817 895444600 /nfs/dbraw/zinc/44/46/00/895444600.db2.gz JSQXJICBVYTVAC-UHFFFAOYSA-N 1 2 270.292 1.811 20 30 CDEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3nc(C)oc3C)[C@H]2C1 ZINC001083232349 896560792 /nfs/dbraw/zinc/56/07/92/896560792.db2.gz VFQXDBHJKQKAKK-QWHCGFSZSA-N 1 2 291.351 1.003 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3nc(C)oc3C)[C@H]2C1 ZINC001083232349 896560808 /nfs/dbraw/zinc/56/08/08/896560808.db2.gz VFQXDBHJKQKAKK-QWHCGFSZSA-N 1 2 291.351 1.003 20 30 CDEDLO N#Cc1ccc(CN2CC[NH+](Cc3cccnc3)CC2)cn1 ZINC001140540611 896700741 /nfs/dbraw/zinc/70/07/41/896700741.db2.gz DSCQHZJCSLVPFQ-UHFFFAOYSA-N 1 2 293.374 1.666 20 30 CDEDLO N#Cc1cnc(NCc2cc[nH+]c(N)c2)c([N+](=O)[O-])c1 ZINC001167614998 897038288 /nfs/dbraw/zinc/03/82/88/897038288.db2.gz UYSAZWVHZWIJOZ-UHFFFAOYSA-N 1 2 270.252 1.451 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N(C)[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001104540137 898360877 /nfs/dbraw/zinc/36/08/77/898360877.db2.gz RBUIIRXCYCCEKF-NHYWBVRUSA-N 1 2 292.383 1.371 20 30 CDEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)CCC)C[C@H]21 ZINC001176881438 914335190 /nfs/dbraw/zinc/33/51/90/914335190.db2.gz DXRAZHCSZCEFJU-CABCVRRESA-N 1 2 296.411 1.291 20 30 CDEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCC)C[C@H]21 ZINC001176881438 914335204 /nfs/dbraw/zinc/33/52/04/914335204.db2.gz DXRAZHCSZCEFJU-CABCVRRESA-N 1 2 296.411 1.291 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCC(C)C)C[C@@H]21 ZINC001176913248 914391861 /nfs/dbraw/zinc/39/18/61/914391861.db2.gz RDKODCSLXYFDKP-JKSUJKDBSA-N 1 2 292.423 1.748 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCC(C)C)C[C@@H]21 ZINC001176913248 914391874 /nfs/dbraw/zinc/39/18/74/914391874.db2.gz RDKODCSLXYFDKP-JKSUJKDBSA-N 1 2 292.423 1.748 20 30 CDEDLO N#Cc1nc[nH]c1NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176958639 914400147 /nfs/dbraw/zinc/40/01/47/914400147.db2.gz REPZBBLHXNEGII-NSHDSACASA-N 1 2 296.334 1.531 20 30 CDEDLO C[C@@H](CC(=O)N1CCC[C@@H](N(C)CC#N)C1)n1cc[nH+]c1 ZINC001027598493 900654765 /nfs/dbraw/zinc/65/47/65/900654765.db2.gz RGXWXQGEIAGKJD-UONOGXRCSA-N 1 2 289.383 1.281 20 30 CDEDLO C[N@@H+]1CCc2ncnc(N[C@H]3CC[C@H](C#N)CC3)c2C1 ZINC001167843806 901328673 /nfs/dbraw/zinc/32/86/73/901328673.db2.gz DUKJFYLTKDBVTQ-HAQNSBGRSA-N 1 2 271.368 1.959 20 30 CDEDLO C[N@H+]1CCc2ncnc(N[C@H]3CC[C@H](C#N)CC3)c2C1 ZINC001167843806 901328677 /nfs/dbraw/zinc/32/86/77/901328677.db2.gz DUKJFYLTKDBVTQ-HAQNSBGRSA-N 1 2 271.368 1.959 20 30 CDEDLO C#Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccco2)ccn1 ZINC001177612396 914795765 /nfs/dbraw/zinc/79/57/65/914795765.db2.gz CFEXECLUUYNFGL-MRXNPFEDSA-N 1 2 295.342 1.681 20 30 CDEDLO C#Cc1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccco2)ccn1 ZINC001177612396 914795779 /nfs/dbraw/zinc/79/57/79/914795779.db2.gz CFEXECLUUYNFGL-MRXNPFEDSA-N 1 2 295.342 1.681 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N(C)CCN(C)c1cc[nH+]c(C)n1 ZINC001105379740 904509269 /nfs/dbraw/zinc/50/92/69/904509269.db2.gz JKGCGNRLBMOLFG-HNNXBMFYSA-N 1 2 292.383 1.007 20 30 CDEDLO COc1ccc(C#N)c(C(=O)NCCc2[nH]cc(C)[nH+]2)c1 ZINC001189095141 921319969 /nfs/dbraw/zinc/31/99/69/921319969.db2.gz CIUHNJZVHBYBBB-UHFFFAOYSA-N 1 2 284.319 1.571 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC13CC3)c1nccn12 ZINC001092399781 909387928 /nfs/dbraw/zinc/38/79/28/909387928.db2.gz GNSYKNBGYNPVLH-OLZOCXBDSA-N 1 2 298.390 1.441 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)CCC(=O)c2ccccc2)C1 ZINC000586065860 909535564 /nfs/dbraw/zinc/53/55/64/909535564.db2.gz KPDLXCGWGKMRIT-INIZCTEOSA-N 1 2 298.386 1.863 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)CCC(=O)c2ccccc2)C1 ZINC000586065860 909535571 /nfs/dbraw/zinc/53/55/71/909535571.db2.gz KPDLXCGWGKMRIT-INIZCTEOSA-N 1 2 298.386 1.863 20 30 CDEDLO C#CCC1(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CCC1 ZINC001093182638 909669989 /nfs/dbraw/zinc/66/99/89/909669989.db2.gz ONKBRZQTXUSWSS-UHFFFAOYSA-N 1 2 298.390 1.627 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)/C=C/C3CC3)CC2)C1 ZINC001093519755 909898039 /nfs/dbraw/zinc/89/80/39/909898039.db2.gz XCPMKIVGVVPIQA-AATRIKPKSA-N 1 2 290.407 1.830 20 30 CDEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)COCC)CC2)C1 ZINC001105685745 910150665 /nfs/dbraw/zinc/15/06/65/910150665.db2.gz GCLNZUYYVSWIJW-UHFFFAOYSA-N 1 2 296.411 1.291 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CCSC)CC2)C1 ZINC001105686337 910154805 /nfs/dbraw/zinc/15/48/05/910154805.db2.gz UUVXHNSUYKDQBB-UHFFFAOYSA-N 1 2 298.452 1.617 20 30 CDEDLO Cc1ccc(C#N)c(NCCCNC(=O)Cn2cc[nH+]c2)n1 ZINC001094472101 910618216 /nfs/dbraw/zinc/61/82/16/910618216.db2.gz VLIFTGXCVNWFHR-UHFFFAOYSA-N 1 2 298.350 1.077 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C#CC(C)C)CC2)C1 ZINC001105706862 910790164 /nfs/dbraw/zinc/79/01/64/910790164.db2.gz BKOSOHJKYGTEJC-UHFFFAOYSA-N 1 2 290.407 1.524 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(C)no1 ZINC001483312300 910853213 /nfs/dbraw/zinc/85/32/13/910853213.db2.gz VNSZJIHEGMVGCH-JTQLQIEISA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc(C)no1 ZINC001483312300 910853222 /nfs/dbraw/zinc/85/32/22/910853222.db2.gz VNSZJIHEGMVGCH-JTQLQIEISA-N 1 2 271.748 1.786 20 30 CDEDLO C=C[C@H]1C[C@@]1([NH2+]C1C[C@@H]2C=C[C@H](C1)O2)C(=O)OCC ZINC001172234253 911476714 /nfs/dbraw/zinc/47/67/14/911476714.db2.gz GNGCRBNKUABPQW-JXODSGKVSA-N 1 2 263.337 1.570 20 30 CDEDLO C[C@H](CCCC#N)[NH2+][C@@H](CO)C(=O)OC(C)(C)C ZINC001172485113 911687846 /nfs/dbraw/zinc/68/78/46/911687846.db2.gz MAUCZDVACMGXKS-MNOVXSKESA-N 1 2 256.346 1.361 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2nccs2)C1 ZINC001189911027 921713322 /nfs/dbraw/zinc/71/33/22/921713322.db2.gz WVDFLECVFGZCNB-CYBMUJFWSA-N 1 2 291.420 1.979 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2nccs2)C1 ZINC001189911027 921713328 /nfs/dbraw/zinc/71/33/28/921713328.db2.gz WVDFLECVFGZCNB-CYBMUJFWSA-N 1 2 291.420 1.979 20 30 CDEDLO CN(CC#N)C1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC001172895858 912052058 /nfs/dbraw/zinc/05/20/58/912052058.db2.gz WJMNICLHAYGSDL-UHFFFAOYSA-N 1 2 267.373 1.248 20 30 CDEDLO COc1cc(C)c(C[NH+]2CCN(CCC#N)CC2)cn1 ZINC001232351978 912147205 /nfs/dbraw/zinc/14/72/05/912147205.db2.gz AETPEXSTMQUKLP-UHFFFAOYSA-N 1 2 274.368 1.430 20 30 CDEDLO Cc1noc(C[NH+]2CCC(C)(NC(=O)[C@H](C)C#N)CC2)n1 ZINC001483961740 915247962 /nfs/dbraw/zinc/24/79/62/915247962.db2.gz ARQQBLCGVZXFDA-SNVBAGLBSA-N 1 2 291.355 1.008 20 30 CDEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2c(F)cc(C#N)cc2Cl)C1 ZINC001180759982 916611022 /nfs/dbraw/zinc/61/10/22/916611022.db2.gz DIXSNHBEZUUEGJ-LLVKDONJSA-N 1 2 297.717 1.620 20 30 CDEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2c(F)cc(C#N)cc2Cl)C1 ZINC001180759982 916611031 /nfs/dbraw/zinc/61/10/31/916611031.db2.gz DIXSNHBEZUUEGJ-LLVKDONJSA-N 1 2 297.717 1.620 20 30 CDEDLO CC(C)C[C@](C)(C#N)NC(=O)Cc1cc[nH+]c(N)c1 ZINC001181277242 916959165 /nfs/dbraw/zinc/95/91/65/916959165.db2.gz SQRBTSSOBXGNLZ-CQSZACIVSA-N 1 2 260.341 1.651 20 30 CDEDLO C#CC[NH2+]C[C@]1(C)CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001181565936 917202839 /nfs/dbraw/zinc/20/28/39/917202839.db2.gz SVSKEBUPOLPRDZ-CKYFFXLPSA-N 1 2 294.292 1.594 20 30 CDEDLO C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C ZINC001181565936 917202845 /nfs/dbraw/zinc/20/28/45/917202845.db2.gz SVSKEBUPOLPRDZ-CKYFFXLPSA-N 1 2 294.292 1.594 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC13CCC3)O2 ZINC001053670493 936416991 /nfs/dbraw/zinc/41/69/91/936416991.db2.gz OWFVZYGNQBQJGM-KGLIPLIRSA-N 1 2 290.407 1.712 20 30 CDEDLO Cc1c(CN2CCOC[C@H]2C#N)[nH+]c2ccccn12 ZINC001137274175 936438317 /nfs/dbraw/zinc/43/83/17/936438317.db2.gz JMJJNSHNUXXWPF-GFCCVEGCSA-N 1 2 256.309 1.367 20 30 CDEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1coc(C)n1 ZINC001272725441 917712193 /nfs/dbraw/zinc/71/21/93/917712193.db2.gz DUWLDYZKCNNYCS-INIZCTEOSA-N 1 2 287.363 1.573 20 30 CDEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1coc(C)n1 ZINC001272725441 917712197 /nfs/dbraw/zinc/71/21/97/917712197.db2.gz DUWLDYZKCNNYCS-INIZCTEOSA-N 1 2 287.363 1.573 20 30 CDEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CC(C)C)nn2)C1 ZINC001107120620 918128703 /nfs/dbraw/zinc/12/87/03/918128703.db2.gz SSVZJDZPMKKNKY-UHFFFAOYSA-N 1 2 291.399 1.373 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@H]2O)C1 ZINC001077645842 918529781 /nfs/dbraw/zinc/52/97/81/918529781.db2.gz ZGRXKIHFDASRRQ-OPVGQWETSA-N 1 2 284.787 1.257 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@H]2O)C1 ZINC001077645842 918529795 /nfs/dbraw/zinc/52/97/95/918529795.db2.gz ZGRXKIHFDASRRQ-OPVGQWETSA-N 1 2 284.787 1.257 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)/C=C(\C)C2CC2)C1 ZINC001107775073 918766226 /nfs/dbraw/zinc/76/62/26/918766226.db2.gz OTBFCPWANKFHAC-ISBHARSQSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)/C=C(\C)C2CC2)C1 ZINC001107775073 918766235 /nfs/dbraw/zinc/76/62/35/918766235.db2.gz OTBFCPWANKFHAC-ISBHARSQSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2n[nH]c(C)c2C)C1 ZINC001107830254 918844227 /nfs/dbraw/zinc/84/42/27/918844227.db2.gz IPCULQIOQWHQRB-HNNXBMFYSA-N 1 2 292.383 1.033 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2n[nH]c(C)c2C)C1 ZINC001107830254 918844238 /nfs/dbraw/zinc/84/42/38/918844238.db2.gz IPCULQIOQWHQRB-HNNXBMFYSA-N 1 2 292.383 1.033 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2c(C)ccn2C)C1 ZINC001107897552 919021646 /nfs/dbraw/zinc/02/16/46/919021646.db2.gz KNBNLMYEQQRXEJ-INIZCTEOSA-N 1 2 291.395 1.340 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2c(C)ccn2C)C1 ZINC001107897552 919021664 /nfs/dbraw/zinc/02/16/64/919021664.db2.gz KNBNLMYEQQRXEJ-INIZCTEOSA-N 1 2 291.395 1.340 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cn2nccc2C)C1 ZINC001409938323 919119660 /nfs/dbraw/zinc/11/96/60/919119660.db2.gz YZBLLIBCPYULGM-LBPRGKRZSA-N 1 2 296.802 1.381 20 30 CDEDLO Cc1[nH+]c[nH]c1CSCCNC(=O)[C@@H]1C[C@@H]1C#N ZINC001186985564 920253157 /nfs/dbraw/zinc/25/31/57/920253157.db2.gz OUHXNNPFARRKPX-NXEZZACHSA-N 1 2 264.354 1.227 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(Cl)cnc2OC)CC1 ZINC001139749306 936643315 /nfs/dbraw/zinc/64/33/15/936643315.db2.gz UGQCHRQRJQDJLK-UHFFFAOYSA-N 1 2 279.771 1.494 20 30 CDEDLO N#Cc1ccc2[nH]cc(C[N@@H+]3CCn4nncc4C3)c2c1 ZINC001140116387 936679808 /nfs/dbraw/zinc/67/98/08/936679808.db2.gz WQNOGGQEPYFNHF-UHFFFAOYSA-N 1 2 278.319 1.647 20 30 CDEDLO N#Cc1ccc2[nH]cc(C[N@H+]3CCn4nncc4C3)c2c1 ZINC001140116387 936679810 /nfs/dbraw/zinc/67/98/10/936679810.db2.gz WQNOGGQEPYFNHF-UHFFFAOYSA-N 1 2 278.319 1.647 20 30 CDEDLO CCOC(=O)[C@H](C#N)NC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190107171 921829260 /nfs/dbraw/zinc/82/92/60/921829260.db2.gz NLIDOWFCPPSAAG-LBPRGKRZSA-N 1 2 298.302 1.057 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)CC(F)F)C1 ZINC001108077892 921922686 /nfs/dbraw/zinc/92/26/86/921922686.db2.gz BRFXABNWXAFOQN-FZMZJTMJSA-N 1 2 290.354 1.671 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)CC(F)F)C1 ZINC001108077892 921922690 /nfs/dbraw/zinc/92/26/90/921922690.db2.gz BRFXABNWXAFOQN-FZMZJTMJSA-N 1 2 290.354 1.671 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(C)CCCC2)C1 ZINC001108103680 922153124 /nfs/dbraw/zinc/15/31/24/922153124.db2.gz RROPFJYYUIGSMZ-INIZCTEOSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(C)CCCC2)C1 ZINC001108103680 922153135 /nfs/dbraw/zinc/15/31/35/922153135.db2.gz RROPFJYYUIGSMZ-INIZCTEOSA-N 1 2 280.412 1.960 20 30 CDEDLO CC(C)(C)[C@@H](C[NH+]1CCOCC1)NC(=O)C1(C#N)CC1 ZINC001143188309 922371513 /nfs/dbraw/zinc/37/15/13/922371513.db2.gz GXFQDBRIYNXOOT-GFCCVEGCSA-N 1 2 279.384 1.153 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)C=C)C1 ZINC001108119145 922521057 /nfs/dbraw/zinc/52/10/57/922521057.db2.gz JEPDQIUCTYDHQH-OAHLLOKOSA-N 1 2 266.385 1.592 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)C=C)C1 ZINC001108119145 922521069 /nfs/dbraw/zinc/52/10/69/922521069.db2.gz 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ZINC001103937933 937178916 /nfs/dbraw/zinc/17/89/16/937178916.db2.gz OJZVKJZGPKMNFV-GFCCVEGCSA-N 1 2 274.368 1.753 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)/C(C)=C/C)C1 ZINC001149480779 937184290 /nfs/dbraw/zinc/18/42/90/937184290.db2.gz CBSQRBWGXZACAE-HQAMWZJRSA-N 1 2 286.803 1.912 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)/C(C)=C/C)C1 ZINC001149480779 937184292 /nfs/dbraw/zinc/18/42/92/937184292.db2.gz CBSQRBWGXZACAE-HQAMWZJRSA-N 1 2 286.803 1.912 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(Cl)nc1 ZINC000852156012 927724818 /nfs/dbraw/zinc/72/48/18/927724818.db2.gz HNWAGWDRQKVDNF-SECBINFHSA-N 1 2 266.732 1.955 20 30 CDEDLO C#CCOCC[N@@H+](CC(=O)OCC)Cc1ccccc1O ZINC000852192153 927736366 /nfs/dbraw/zinc/73/63/66/927736366.db2.gz PHAXRIKBGHXJHA-UHFFFAOYSA-N 1 2 291.347 1.407 20 30 CDEDLO C#CCOCC[N@H+](CC(=O)OCC)Cc1ccccc1O ZINC000852192153 927736375 /nfs/dbraw/zinc/73/63/75/927736375.db2.gz PHAXRIKBGHXJHA-UHFFFAOYSA-N 1 2 291.347 1.407 20 30 CDEDLO CCOC(=O)c1nc(N2CC[NH2+]C[C@@H]2C#N)ccc1Cl ZINC001156327782 928078675 /nfs/dbraw/zinc/07/86/75/928078675.db2.gz LOWZDPRYCOWTHP-VIFPVBQESA-N 1 2 294.742 1.213 20 30 CDEDLO C#C[C@](C)(CC)Nc1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC001169698889 928351705 /nfs/dbraw/zinc/35/17/05/928351705.db2.gz ZLWXVLPUHLIAIL-CYBMUJFWSA-N 1 2 257.297 1.271 20 30 CDEDLO N#CC1(CNC(=O)c2ccc3[nH+]c(N)[nH]c3c2)CCC1 ZINC001156975336 929087495 /nfs/dbraw/zinc/08/74/95/929087495.db2.gz KFNUPKGOYORPRW-UHFFFAOYSA-N 1 2 269.308 1.569 20 30 CDEDLO Cc1nc(N2CC[C@@H](NC(=O)C#CC3CC3)[C@H](C)C2)cc[nH+]1 ZINC001112407313 937307510 /nfs/dbraw/zinc/30/75/10/937307510.db2.gz NBFHUSZDTZINAD-IUODEOHRSA-N 1 2 298.390 1.529 20 30 CDEDLO CCCCOCC[NH+]1CCN(C(=O)CSCC#N)CC1 ZINC001112629859 929268609 /nfs/dbraw/zinc/26/86/09/929268609.db2.gz DGFCHWLFXFAJLD-UHFFFAOYSA-N 1 2 299.440 1.204 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H](C)C(C)C)CC1 ZINC001112695961 929339062 /nfs/dbraw/zinc/33/90/62/929339062.db2.gz HSOJOOLOTCYLKJ-CQSZACIVSA-N 1 2 250.386 1.836 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](OCC)C2CC2)CC1 ZINC001112860125 929498464 /nfs/dbraw/zinc/49/84/64/929498464.db2.gz RPPIIVZXUHPUOS-CYBMUJFWSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2(COC)CCCCC2)CC1 ZINC001112934614 929581247 /nfs/dbraw/zinc/58/12/47/929581247.db2.gz FAGHTIIHUGBSQJ-UHFFFAOYSA-N 1 2 280.412 1.914 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CC2CC(F)(F)C2)nn1 ZINC000881311332 929813918 /nfs/dbraw/zinc/81/39/18/929813918.db2.gz HLLARVCEZFZGPV-UHFFFAOYSA-N 1 2 254.284 1.436 20 30 CDEDLO CN1CC[NH+](C(C)(C)CNC(=O)C#Cc2ccccc2)CC1 ZINC001116192219 937435202 /nfs/dbraw/zinc/43/52/02/937435202.db2.gz ACVSRVJJFKIEJC-UHFFFAOYSA-N 1 2 299.418 1.180 20 30 CDEDLO CCOCCNC(=O)[C@H]1CC12CC[NH+](CCC#N)CC2 ZINC001274030492 931129101 /nfs/dbraw/zinc/12/91/01/931129101.db2.gz OPNBBQLCQIBQCD-CYBMUJFWSA-N 1 2 279.384 1.155 20 30 CDEDLO CN1CC[C@@]2(CC[N@H+](Cc3cc(C#N)ccc3O)C2)C1=O ZINC001274667189 931536943 /nfs/dbraw/zinc/53/69/43/931536943.db2.gz LRFIGLYHZMVPLR-INIZCTEOSA-N 1 2 285.347 1.318 20 30 CDEDLO CN1CC[C@@]2(CC[N@@H+](Cc3cc(C#N)ccc3O)C2)C1=O ZINC001274667189 931536945 /nfs/dbraw/zinc/53/69/45/931536945.db2.gz LRFIGLYHZMVPLR-INIZCTEOSA-N 1 2 285.347 1.318 20 30 CDEDLO C=CC[C@@H](C)C(=O)NCc1c[nH+]cn1CCOC ZINC001144027209 931631304 /nfs/dbraw/zinc/63/13/04/931631304.db2.gz ORCCVTUCEZJLDY-LLVKDONJSA-N 1 2 251.330 1.358 20 30 CDEDLO C=C(C)CNC(=O)c1nc2c(s1)C[N@H+](C)CC2 ZINC001154222762 937519166 /nfs/dbraw/zinc/51/91/66/937519166.db2.gz KEPJNDAMQVBLJM-UHFFFAOYSA-N 1 2 251.355 1.437 20 30 CDEDLO C=C(C)CNC(=O)c1nc2c(s1)C[N@@H+](C)CC2 ZINC001154222762 937519167 /nfs/dbraw/zinc/51/91/67/937519167.db2.gz KEPJNDAMQVBLJM-UHFFFAOYSA-N 1 2 251.355 1.437 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CCOC[C@](O)(C(F)(F)F)C2)cc1 ZINC001144567951 931906472 /nfs/dbraw/zinc/90/64/72/931906472.db2.gz FIVQYJGOZSQCQC-AWEZNQCLSA-N 1 2 299.292 1.794 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CCOC[C@](O)(C(F)(F)F)C2)cc1 ZINC001144567951 931906474 /nfs/dbraw/zinc/90/64/74/931906474.db2.gz FIVQYJGOZSQCQC-AWEZNQCLSA-N 1 2 299.292 1.794 20 30 CDEDLO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(C#N)c3O)[C@@H]2C1 ZINC001275735056 931986737 /nfs/dbraw/zinc/98/67/37/931986737.db2.gz ZEHRAGPAQUVMBX-WCQYABFASA-N 1 2 271.320 1.040 20 30 CDEDLO C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(C#N)c3O)[C@@H]2C1 ZINC001275735056 931986743 /nfs/dbraw/zinc/98/67/43/931986743.db2.gz ZEHRAGPAQUVMBX-WCQYABFASA-N 1 2 271.320 1.040 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2ncc(CC)o2)nc1 ZINC001148370194 932701748 /nfs/dbraw/zinc/70/17/48/932701748.db2.gz MMMKDSOGMAVPGN-UHFFFAOYSA-N 1 2 298.346 1.133 20 30 CDEDLO C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)Nc1ncccc1C#N ZINC001119977928 937770152 /nfs/dbraw/zinc/77/01/52/937770152.db2.gz CNTYAPGTHKKJQG-NSHDSACASA-N 1 2 298.350 1.178 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3coc(C)n3)C[C@H]21 ZINC001114757946 934955102 /nfs/dbraw/zinc/95/51/02/934955102.db2.gz UPKUHIUWKVBFIQ-FOLVSLTJSA-N 1 2 289.379 1.886 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3coc(C)n3)C[C@H]21 ZINC001114757946 934955105 /nfs/dbraw/zinc/95/51/05/934955105.db2.gz UPKUHIUWKVBFIQ-FOLVSLTJSA-N 1 2 289.379 1.886 20 30 CDEDLO CC(C)(CNC(=O)c1csc(C#N)c1)[NH+]1CCOCC1 ZINC001649822720 1169403510 /nfs/dbraw/zinc/40/35/10/1169403510.db2.gz QPSJHFJCBXCONQ-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001019238021 935697845 /nfs/dbraw/zinc/69/78/45/935697845.db2.gz IZVDCZAZFHGQKU-JTQLQIEISA-N 1 2 280.397 1.441 20 30 CDEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1scnc1C)C2 ZINC001096838521 936226635 /nfs/dbraw/zinc/22/66/35/936226635.db2.gz LPIJTUMIVQBFKF-UPJWGTAASA-N 1 2 289.404 1.810 20 30 CDEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1scnc1C)C2 ZINC001096838521 936226637 /nfs/dbraw/zinc/22/66/37/936226637.db2.gz LPIJTUMIVQBFKF-UPJWGTAASA-N 1 2 289.404 1.810 20 30 CDEDLO C=CCC(C)(C)C(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122612594 937945793 /nfs/dbraw/zinc/94/57/93/937945793.db2.gz IPBZMEJTVPVRHA-LBPRGKRZSA-N 1 2 292.383 1.276 20 30 CDEDLO COc1cc(C[N@@H+]2CC[C@@](C)(O)[C@@H](F)C2)ccc1C#N ZINC001238409110 945170173 /nfs/dbraw/zinc/17/01/73/945170173.db2.gz BXHATNKKVZOCKA-LSDHHAIUSA-N 1 2 278.327 1.862 20 30 CDEDLO COc1cc(C[N@H+]2CC[C@@](C)(O)[C@@H](F)C2)ccc1C#N ZINC001238409110 945170179 /nfs/dbraw/zinc/17/01/79/945170179.db2.gz BXHATNKKVZOCKA-LSDHHAIUSA-N 1 2 278.327 1.862 20 30 CDEDLO N#Cc1ccc([N+](=O)[O-])c(NCc2cc[nH+]c(N)c2)n1 ZINC001156757634 938415749 /nfs/dbraw/zinc/41/57/49/938415749.db2.gz ZRBZJDYWJFVUGL-UHFFFAOYSA-N 1 2 270.252 1.451 20 30 CDEDLO N#CCCCCC(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001156897055 938430528 /nfs/dbraw/zinc/43/05/28/938430528.db2.gz HMNKKMRPJHPYAD-UHFFFAOYSA-N 1 2 260.341 1.989 20 30 CDEDLO C=C(C)C(=O)OCCNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC001157307984 938478841 /nfs/dbraw/zinc/47/88/41/938478841.db2.gz BFHDOUCBHDLGAK-UHFFFAOYSA-N 1 2 298.346 1.800 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1ncc(C#N)c(OC)n1 ZINC001157459569 938495433 /nfs/dbraw/zinc/49/54/33/938495433.db2.gz APQNDUFAZZTYNS-UHFFFAOYSA-N 1 2 272.312 1.080 20 30 CDEDLO C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C(F)C(F)(F)F ZINC001157977747 938570697 /nfs/dbraw/zinc/57/06/97/938570697.db2.gz FZZIMRXZDBUKQI-MNOVXSKESA-N 1 2 294.292 1.833 20 30 CDEDLO C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C(F)C(F)(F)F ZINC001157977747 938570698 /nfs/dbraw/zinc/57/06/98/938570698.db2.gz FZZIMRXZDBUKQI-MNOVXSKESA-N 1 2 294.292 1.833 20 30 CDEDLO C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](F)C(F)(F)F ZINC001157977747 938570703 /nfs/dbraw/zinc/57/07/03/938570703.db2.gz FZZIMRXZDBUKQI-MNOVXSKESA-N 1 2 294.292 1.833 20 30 CDEDLO C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](F)C(F)(F)F ZINC001157977747 938570706 /nfs/dbraw/zinc/57/07/06/938570706.db2.gz FZZIMRXZDBUKQI-MNOVXSKESA-N 1 2 294.292 1.833 20 30 CDEDLO C#CCC[NH2+]CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001158463059 938627760 /nfs/dbraw/zinc/62/77/60/938627760.db2.gz OEFSNICZRDOZIM-MRVPVSSYSA-N 1 2 254.227 1.006 20 30 CDEDLO C#CCC[NH2+]CCCNC(=O)C(F)C(F)(F)F ZINC001158463059 938627759 /nfs/dbraw/zinc/62/77/59/938627759.db2.gz OEFSNICZRDOZIM-MRVPVSSYSA-N 1 2 254.227 1.006 20 30 CDEDLO C=C[C@@H](CO)Nc1[nH+]cc(C)cc1/C=C/C(=O)OC ZINC001158818184 938666367 /nfs/dbraw/zinc/66/63/67/938666367.db2.gz UMQAZROKPCXRPF-FYJFLYSWSA-N 1 2 262.309 1.535 20 30 CDEDLO C#CCOCCOCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001160671518 938812045 /nfs/dbraw/zinc/81/20/45/938812045.db2.gz QLAOXTXMJWGORA-UHFFFAOYSA-N 1 2 275.352 1.741 20 30 CDEDLO Cc1nc(C#N)cnc1NCc1ccc2[nH+]ccn2c1 ZINC001163139729 939211485 /nfs/dbraw/zinc/21/14/85/939211485.db2.gz VFOIGLCWVOQYNN-UHFFFAOYSA-N 1 2 264.292 1.917 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2ccc3c(c2)CC/C3=N/O)C[NH2+]1 ZINC001164312779 939451988 /nfs/dbraw/zinc/45/19/88/939451988.db2.gz VOAQMVMETHSKQE-ONQAGFIGSA-N 1 2 289.335 1.127 20 30 CDEDLO Cc1cc(Cl)ncc1C(F)(F)N1CC[NH2+]C[C@H]1C#N ZINC001164650941 939501686 /nfs/dbraw/zinc/50/16/86/939501686.db2.gz DWZCRCDZDPGSAJ-SECBINFHSA-N 1 2 286.713 1.890 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1c1ncc(F)c2ccccc21 ZINC001164651818 939501738 /nfs/dbraw/zinc/50/17/38/939501738.db2.gz MAYGOOOBWYZXOA-SNVBAGLBSA-N 1 2 256.284 1.676 20 30 CDEDLO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[NH2+]C[C@@H]1C#N ZINC001164651598 939502107 /nfs/dbraw/zinc/50/21/07/939502107.db2.gz JULMRERENGTSTH-VIFPVBQESA-N 1 2 297.696 1.453 20 30 CDEDLO C#CCCC[N@H+]1CCOC[C@@H]1CNC(=O)OC(C)(C)C ZINC001209268922 940455389 /nfs/dbraw/zinc/45/53/89/940455389.db2.gz BEBWLYUVNZERRR-ZDUSSCGKSA-N 1 2 282.384 1.625 20 30 CDEDLO C#CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)OC(C)(C)C ZINC001209268922 940455390 /nfs/dbraw/zinc/45/53/90/940455390.db2.gz BEBWLYUVNZERRR-ZDUSSCGKSA-N 1 2 282.384 1.625 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)CC=C)[C@H](OC)C1 ZINC001213496369 940776521 /nfs/dbraw/zinc/77/65/21/940776521.db2.gz OGIGQHFVHQBGTA-CHWSQXEVSA-N 1 2 264.369 1.037 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)CC=C)[C@H](OC)C1 ZINC001213496369 940776522 /nfs/dbraw/zinc/77/65/22/940776522.db2.gz OGIGQHFVHQBGTA-CHWSQXEVSA-N 1 2 264.369 1.037 20 30 CDEDLO CCCCCCCNC(=O)NC[C@@H]([NH3+])C(=O)OCC ZINC001239245327 945364476 /nfs/dbraw/zinc/36/44/76/945364476.db2.gz VINMHKHWUNAKCX-LLVKDONJSA-N 1 2 273.377 1.146 20 30 CDEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]21 ZINC001217493846 940995772 /nfs/dbraw/zinc/99/57/72/940995772.db2.gz PQSAPWGEHMNQPS-DRKGASSASA-N 1 2 284.787 1.617 20 30 CDEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]21 ZINC001217493846 940995776 /nfs/dbraw/zinc/99/57/76/940995776.db2.gz PQSAPWGEHMNQPS-DRKGASSASA-N 1 2 284.787 1.617 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H](C=C)CC)[C@H]2C1 ZINC001218523338 941229950 /nfs/dbraw/zinc/22/99/50/941229950.db2.gz LDWULZOBQJADMD-QLFBSQMISA-N 1 2 276.380 1.134 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H](C=C)CC)[C@H]2C1 ZINC001218523338 941229952 /nfs/dbraw/zinc/22/99/52/941229952.db2.gz LDWULZOBQJADMD-QLFBSQMISA-N 1 2 276.380 1.134 20 30 CDEDLO C[NH2+][C@@H](CC(C)C)C(=O)N=C(NO)c1ccc(C)cn1 ZINC001220337176 941437969 /nfs/dbraw/zinc/43/79/69/941437969.db2.gz MXKXCUITVMLSNU-LBPRGKRZSA-N 1 2 278.356 1.276 20 30 CDEDLO Cn1cc(C[NH+]2CC3(CN(c4nccs4)C3)C2)cc1C#N ZINC001276961403 941739086 /nfs/dbraw/zinc/73/90/86/941739086.db2.gz JKEYPLLTGPNJIE-UHFFFAOYSA-N 1 2 299.403 1.675 20 30 CDEDLO COc1cc(C)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001225262836 941835786 /nfs/dbraw/zinc/83/57/86/941835786.db2.gz QXZWLBLIXUPRKU-FDAWXEHDSA-N 1 2 275.348 1.995 20 30 CDEDLO COc1cc(C)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001225262836 941835789 /nfs/dbraw/zinc/83/57/89/941835789.db2.gz QXZWLBLIXUPRKU-FDAWXEHDSA-N 1 2 275.348 1.995 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(C#N)cc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226049437 941945638 /nfs/dbraw/zinc/94/56/38/941945638.db2.gz RKPLKUBZHBROIA-HJTUNCCVSA-N 1 2 274.295 1.689 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(C#N)cc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226049437 941945639 /nfs/dbraw/zinc/94/56/39/941945639.db2.gz RKPLKUBZHBROIA-HJTUNCCVSA-N 1 2 274.295 1.689 20 30 CDEDLO C=CCOCC(=O)NC1CC[NH+](Cc2ncc(C)o2)CC1 ZINC001226589449 942030846 /nfs/dbraw/zinc/03/08/46/942030846.db2.gz QJTPOEXHOYBSCN-UHFFFAOYSA-N 1 2 293.367 1.266 20 30 CDEDLO Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)o1 ZINC001226640065 942039585 /nfs/dbraw/zinc/03/95/85/942039585.db2.gz KQUAZSIWFFMCNM-VHSXEESVSA-N 1 2 291.355 1.179 20 30 CDEDLO CC(=O)/C=C/c1ccc(OC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001228494836 942327393 /nfs/dbraw/zinc/32/73/93/942327393.db2.gz USTZNEMCVMSMAX-CWDCEQMOSA-N 1 2 275.348 1.998 20 30 CDEDLO CC(=O)/C=C/c1ccc(OC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001228494836 942327398 /nfs/dbraw/zinc/32/73/98/942327398.db2.gz USTZNEMCVMSMAX-CWDCEQMOSA-N 1 2 275.348 1.998 20 30 CDEDLO C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1NCC#N)n1cc[nH+]c1 ZINC001228854035 942384631 /nfs/dbraw/zinc/38/46/31/942384631.db2.gz USLPOIRCERFQLJ-MGPQQGTHSA-N 1 2 289.383 1.375 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC001229186320 942429570 /nfs/dbraw/zinc/42/95/70/942429570.db2.gz JKIHJBNGEHUWRV-LLVKDONJSA-N 1 2 277.280 1.176 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC001229186320 942429572 /nfs/dbraw/zinc/42/95/72/942429572.db2.gz JKIHJBNGEHUWRV-LLVKDONJSA-N 1 2 277.280 1.176 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2cc(F)ccc2C#N)C1 ZINC001230639077 942663495 /nfs/dbraw/zinc/66/34/95/942663495.db2.gz NJWSAFDYOYLHJF-LBPRGKRZSA-N 1 2 250.273 1.407 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2cc(F)ccc2C#N)C1 ZINC001230639077 942663498 /nfs/dbraw/zinc/66/34/98/942663498.db2.gz NJWSAFDYOYLHJF-LBPRGKRZSA-N 1 2 250.273 1.407 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)OCCC=C ZINC001231095303 942783769 /nfs/dbraw/zinc/78/37/69/942783769.db2.gz OZQFWWDLYZYKGA-KGLIPLIRSA-N 1 2 264.369 1.134 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)OCCC=C ZINC001231095303 942783771 /nfs/dbraw/zinc/78/37/71/942783771.db2.gz OZQFWWDLYZYKGA-KGLIPLIRSA-N 1 2 264.369 1.134 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cnc(C)nc1 ZINC001231169486 942808162 /nfs/dbraw/zinc/80/81/62/942808162.db2.gz HOTQHWHFYDJMMA-HNNXBMFYSA-N 1 2 288.395 1.784 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cnc(C)nc1 ZINC001231169486 942808171 /nfs/dbraw/zinc/80/81/71/942808171.db2.gz HOTQHWHFYDJMMA-HNNXBMFYSA-N 1 2 288.395 1.784 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@@H]2CN(C)C(=O)[C@H](C)C#N)sn1 ZINC001231292768 942845365 /nfs/dbraw/zinc/84/53/65/942845365.db2.gz FWKQFJAUPWLVIM-ZYHUDNBSSA-N 1 2 292.408 1.644 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)[C@H](C)C#N)sn1 ZINC001231292768 942845371 /nfs/dbraw/zinc/84/53/71/942845371.db2.gz FWKQFJAUPWLVIM-ZYHUDNBSSA-N 1 2 292.408 1.644 20 30 CDEDLO C#Cc1cccc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)c1 ZINC001231659910 942965729 /nfs/dbraw/zinc/96/57/29/942965729.db2.gz WVBYJHHTGNJECL-CQSZACIVSA-N 1 2 263.362 1.287 20 30 CDEDLO C#Cc1cccc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)c1 ZINC001231659910 942965735 /nfs/dbraw/zinc/96/57/35/942965735.db2.gz WVBYJHHTGNJECL-CQSZACIVSA-N 1 2 263.362 1.287 20 30 CDEDLO N#C[C@@H]1CN(Cc2cc3c[nH+]ccc3[nH]2)CCC1=O ZINC001232013770 943095302 /nfs/dbraw/zinc/09/53/02/943095302.db2.gz FJYAFTUVOZJCQF-LLVKDONJSA-N 1 2 254.293 1.477 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC001232676122 943357262 /nfs/dbraw/zinc/35/72/62/943357262.db2.gz ZOCZSGBLIWYQQZ-HNNXBMFYSA-N 1 2 258.321 1.876 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@]3(CCOC3)C2)c1 ZINC001232676122 943357270 /nfs/dbraw/zinc/35/72/70/943357270.db2.gz ZOCZSGBLIWYQQZ-HNNXBMFYSA-N 1 2 258.321 1.876 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC001232675989 943357323 /nfs/dbraw/zinc/35/73/23/943357323.db2.gz XKEPRUJPUDGCNB-OAHLLOKOSA-N 1 2 274.320 1.255 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC001232675989 943357328 /nfs/dbraw/zinc/35/73/28/943357328.db2.gz XKEPRUJPUDGCNB-OAHLLOKOSA-N 1 2 274.320 1.255 20 30 CDEDLO N#Cc1ccc(O)c(CN2CC([NH+]3CCCCC3)C2)c1 ZINC001232678658 943360654 /nfs/dbraw/zinc/36/06/54/943360654.db2.gz LZXFBANEYSDVBD-UHFFFAOYSA-N 1 2 271.364 1.934 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001232888732 943425413 /nfs/dbraw/zinc/42/54/13/943425413.db2.gz NABWMKKZKVYNNQ-UONOGXRCSA-N 1 2 266.291 1.992 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001232888732 943425415 /nfs/dbraw/zinc/42/54/15/943425415.db2.gz NABWMKKZKVYNNQ-UONOGXRCSA-N 1 2 266.291 1.992 20 30 CDEDLO N#Cc1cnc(N2C[C@@H]3COC[C@H](C2)[N@@H+]3C2CCCC2)nc1 ZINC001277736892 943439874 /nfs/dbraw/zinc/43/98/74/943439874.db2.gz URFXQBLFICBBEX-GASCZTMLSA-N 1 2 299.378 1.180 20 30 CDEDLO N#Cc1cnc(N2C[C@@H]3COC[C@H](C2)[N@H+]3C2CCCC2)nc1 ZINC001277736892 943439877 /nfs/dbraw/zinc/43/98/77/943439877.db2.gz URFXQBLFICBBEX-GASCZTMLSA-N 1 2 299.378 1.180 20 30 CDEDLO N#Cc1cc[nH]c1C[NH+]1CCC2(CCCC(=O)N2)CC1 ZINC001233044698 943473792 /nfs/dbraw/zinc/47/37/92/943473792.db2.gz NKYYNLNHBLLFOT-UHFFFAOYSA-N 1 2 272.352 1.521 20 30 CDEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC001233047602 943475074 /nfs/dbraw/zinc/47/50/74/943475074.db2.gz DQECNMDMVVMVDW-CQSZACIVSA-N 1 2 268.320 1.935 20 30 CDEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC001233047602 943475076 /nfs/dbraw/zinc/47/50/76/943475076.db2.gz DQECNMDMVVMVDW-CQSZACIVSA-N 1 2 268.320 1.935 20 30 CDEDLO N#Cc1ccc(C[N@H+]2C[C@@H](F)C[C@H](CO)C2)c(O)c1 ZINC001233383238 943569414 /nfs/dbraw/zinc/56/94/14/943569414.db2.gz BOMSULDHFPNBBQ-AAEUAGOBSA-N 1 2 264.300 1.416 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)c(O)c1 ZINC001233383238 943569419 /nfs/dbraw/zinc/56/94/19/943569419.db2.gz BOMSULDHFPNBBQ-AAEUAGOBSA-N 1 2 264.300 1.416 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)c(O)c1 ZINC001233383877 943571376 /nfs/dbraw/zinc/57/13/76/943571376.db2.gz ZQJBZZFVKOTAFN-NWDGAFQWSA-N 1 2 250.273 1.169 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)c(O)c1 ZINC001233383877 943571379 /nfs/dbraw/zinc/57/13/79/943571379.db2.gz ZQJBZZFVKOTAFN-NWDGAFQWSA-N 1 2 250.273 1.169 20 30 CDEDLO Cc1nc(C[N@H+](C)CCCNC(=O)CSCC#N)co1 ZINC001234154069 943756806 /nfs/dbraw/zinc/75/68/06/943756806.db2.gz DEZHJXAHBJCBCM-UHFFFAOYSA-N 1 2 296.396 1.178 20 30 CDEDLO Cc1nc(C[N@@H+](C)CCCNC(=O)CSCC#N)co1 ZINC001234154069 943756810 /nfs/dbraw/zinc/75/68/10/943756810.db2.gz DEZHJXAHBJCBCM-UHFFFAOYSA-N 1 2 296.396 1.178 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)c1ccc(C#N)s1 ZINC001263918594 944030692 /nfs/dbraw/zinc/03/06/92/944030692.db2.gz LESFZULTHUFQIG-UHFFFAOYSA-N 1 2 260.322 1.326 20 30 CDEDLO C#CCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2CCF)CCOCC1 ZINC001235160927 944075543 /nfs/dbraw/zinc/07/55/43/944075543.db2.gz RMHGDVPXQVKHNJ-CQSZACIVSA-N 1 2 296.386 1.309 20 30 CDEDLO C#CCC1(C(=O)N(C)C[C@H]2CC[N@H+]2CCF)CCOCC1 ZINC001235160927 944075545 /nfs/dbraw/zinc/07/55/45/944075545.db2.gz RMHGDVPXQVKHNJ-CQSZACIVSA-N 1 2 296.386 1.309 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(F)c(F)c(F)c2F)CC1 ZINC001235348096 944132148 /nfs/dbraw/zinc/13/21/48/944132148.db2.gz ICNRTHCFVJHMSI-UHFFFAOYSA-N 1 2 286.272 1.994 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)n1cnc(C)c1 ZINC001235799735 944281719 /nfs/dbraw/zinc/28/17/19/944281719.db2.gz WJVRNPOCYPYOKD-AWEZNQCLSA-N 1 2 288.395 1.093 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)n1cnc(C)c1 ZINC001235799735 944281727 /nfs/dbraw/zinc/28/17/27/944281727.db2.gz WJVRNPOCYPYOKD-AWEZNQCLSA-N 1 2 288.395 1.093 20 30 CDEDLO C=CCS(=O)(=O)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC001259922304 945705587 /nfs/dbraw/zinc/70/55/87/945705587.db2.gz ZFASMZHPXUIBLA-UHFFFAOYSA-N 1 2 295.408 1.105 20 30 CDEDLO C=CCS(=O)(=O)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC001259922304 945705593 /nfs/dbraw/zinc/70/55/93/945705593.db2.gz ZFASMZHPXUIBLA-UHFFFAOYSA-N 1 2 295.408 1.105 20 30 CDEDLO N#Cc1cn(Cc2ccc[nH+]c2N)c2ccccc2c1=O ZINC001307300267 945805405 /nfs/dbraw/zinc/80/54/05/945805405.db2.gz TYTIXWQMUSKDCS-UHFFFAOYSA-N 1 2 276.299 1.899 20 30 CDEDLO CCOC(=O)N1CC[C@@H]([N@@H+]2CC[C@](C)(C#N)C2)C1 ZINC001256046535 948181839 /nfs/dbraw/zinc/18/18/39/948181839.db2.gz UZPHTAZGHNPABE-DGCLKSJQSA-N 1 2 251.330 1.453 20 30 CDEDLO CCOC(=O)N1CC[C@@H]([N@H+]2CC[C@](C)(C#N)C2)C1 ZINC001256046535 948181842 /nfs/dbraw/zinc/18/18/42/948181842.db2.gz UZPHTAZGHNPABE-DGCLKSJQSA-N 1 2 251.330 1.453 20 30 CDEDLO C#CC[NH+]1CCN([C@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001257968699 948673562 /nfs/dbraw/zinc/67/35/62/948673562.db2.gz ONRHGRMWNQUVPK-OAHLLOKOSA-N 1 2 290.794 1.894 20 30 CDEDLO C#CC[C@@H]([NH3+])c1nc(-c2cccc(S(C)(=O)=O)c2)no1 ZINC001247610307 948678804 /nfs/dbraw/zinc/67/88/04/948678804.db2.gz XHFWCWZHOXAUNV-LLVKDONJSA-N 1 2 291.332 1.163 20 30 CDEDLO COc1ccc(CC[C@H](C)N2CC[NH2+]C[C@H]2C#N)cc1 ZINC001258402522 948830825 /nfs/dbraw/zinc/83/08/25/948830825.db2.gz YCLCEVIXEJKXTN-DZGCQCFKSA-N 1 2 273.380 1.814 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001479964109 971513108 /nfs/dbraw/zinc/51/31/08/971513108.db2.gz CWLIIJSYMLQHPU-CYBMUJFWSA-N 1 2 290.411 1.713 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001479964109 971513119 /nfs/dbraw/zinc/51/31/19/971513119.db2.gz CWLIIJSYMLQHPU-CYBMUJFWSA-N 1 2 290.411 1.713 20 30 CDEDLO CO[C@H](C)[C@H]([NH3+])c1nc(-c2cccc(C#N)c2)no1 ZINC001247960569 948895445 /nfs/dbraw/zinc/89/54/45/948895445.db2.gz AVDJLKIWXQCWNM-KCJUWKMLSA-N 1 2 258.281 1.643 20 30 CDEDLO COC(=O)CC1C[NH+](Cc2cnn3ccc(C#N)cc23)C1 ZINC001249106685 949385544 /nfs/dbraw/zinc/38/55/44/949385544.db2.gz LKAHGVQAALJPOF-UHFFFAOYSA-N 1 2 284.319 1.201 20 30 CDEDLO CN1CCC2(C[NH+](Cc3cccc(C#N)c3F)C2)C1=O ZINC001249693180 949759092 /nfs/dbraw/zinc/75/90/92/949759092.db2.gz ITRNZIBRGZWHFX-UHFFFAOYSA-N 1 2 273.311 1.361 20 30 CDEDLO N#CCCc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001250054401 949968795 /nfs/dbraw/zinc/96/87/95/949968795.db2.gz FDKSLQUNIQSNJN-UHFFFAOYSA-N 1 2 260.337 1.854 20 30 CDEDLO C[C@]1(C#N)CC[N@H+](C[C@@H](O)COc2ccc(F)cc2F)C1 ZINC001250861170 950436383 /nfs/dbraw/zinc/43/63/83/950436383.db2.gz IJLTTWAMUMLAGL-IUODEOHRSA-N 1 2 296.317 1.940 20 30 CDEDLO C[C@]1(C#N)CC[N@@H+](C[C@@H](O)COc2ccc(F)cc2F)C1 ZINC001250861170 950436395 /nfs/dbraw/zinc/43/63/95/950436395.db2.gz IJLTTWAMUMLAGL-IUODEOHRSA-N 1 2 296.317 1.940 20 30 CDEDLO C#CCOC[C@H](O)CNc1cc[nH+]c(OCCCC)c1 ZINC001251826812 950850892 /nfs/dbraw/zinc/85/08/92/950850892.db2.gz UPOHMNUOASFSQL-CQSZACIVSA-N 1 2 278.352 1.683 20 30 CDEDLO C=CCOC[C@@H](O)CNc1cc(N2CCCCC2)nc[nH+]1 ZINC001252455645 951296023 /nfs/dbraw/zinc/29/60/23/951296023.db2.gz FSZVPQVCOXLNEZ-ZDUSSCGKSA-N 1 2 292.383 1.442 20 30 CDEDLO C=CCOC[C@@H](O)CNc1cc(N2CCCCC2)[nH+]cn1 ZINC001252455645 951296035 /nfs/dbraw/zinc/29/60/35/951296035.db2.gz FSZVPQVCOXLNEZ-ZDUSSCGKSA-N 1 2 292.383 1.442 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001252595941 951490911 /nfs/dbraw/zinc/49/09/11/951490911.db2.gz LUPZZMDCDIJAFB-GXTWGEPZSA-N 1 2 294.399 1.171 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001252595941 951490915 /nfs/dbraw/zinc/49/09/15/951490915.db2.gz LUPZZMDCDIJAFB-GXTWGEPZSA-N 1 2 294.399 1.171 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH2+]C[C@@H](O)CCC)[C@@H](C)CC ZINC001252799085 951646864 /nfs/dbraw/zinc/64/68/64/951646864.db2.gz LLIFJOQMSTXMCV-AVGNSLFASA-N 1 2 257.374 1.881 20 30 CDEDLO C#CC[N@H+](CC1CC1)CN1C(=O)N[C@H](CCCC)C1=O ZINC001253579042 951969118 /nfs/dbraw/zinc/96/91/18/951969118.db2.gz FVCKUZMBSPMUPH-CYBMUJFWSA-N 1 2 277.368 1.400 20 30 CDEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)N[C@H](CCCC)C1=O ZINC001253579042 951969125 /nfs/dbraw/zinc/96/91/25/951969125.db2.gz FVCKUZMBSPMUPH-CYBMUJFWSA-N 1 2 277.368 1.400 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1ccon1 ZINC001367817659 958396359 /nfs/dbraw/zinc/39/63/59/958396359.db2.gz JFQHVDRQQSGAPU-LLVKDONJSA-N 1 2 285.775 1.796 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCc1ccon1 ZINC001367817659 958396375 /nfs/dbraw/zinc/39/63/75/958396375.db2.gz JFQHVDRQQSGAPU-LLVKDONJSA-N 1 2 285.775 1.796 20 30 CDEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1nnc(C(C)C)s1 ZINC001319552994 958626590 /nfs/dbraw/zinc/62/65/90/958626590.db2.gz RXEWNFGAXFTMBE-UHFFFAOYSA-N 1 2 296.396 1.182 20 30 CDEDLO C#CCOCC[N@H+](C)CC(=O)Nc1nnc(C(C)C)s1 ZINC001319552994 958626598 /nfs/dbraw/zinc/62/65/98/958626598.db2.gz RXEWNFGAXFTMBE-UHFFFAOYSA-N 1 2 296.396 1.182 20 30 CDEDLO C=C[C@@H](COC)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001320583809 959259664 /nfs/dbraw/zinc/25/96/64/959259664.db2.gz LYTYBLKMFCWVHI-LBPRGKRZSA-N 1 2 292.383 1.262 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2cc[nH]n2)C1 ZINC001369083523 959446970 /nfs/dbraw/zinc/44/69/70/959446970.db2.gz ZJLHMXVMPKNKMC-SNVBAGLBSA-N 1 2 282.775 1.141 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001323360325 960679210 /nfs/dbraw/zinc/67/92/10/960679210.db2.gz GABPASYZABDARP-UHFFFAOYSA-N 1 2 293.279 1.585 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001323360325 960679217 /nfs/dbraw/zinc/67/92/17/960679217.db2.gz GABPASYZABDARP-UHFFFAOYSA-N 1 2 293.279 1.585 20 30 CDEDLO C=CC[C@H](CC)NC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC001323547795 960806575 /nfs/dbraw/zinc/80/65/75/960806575.db2.gz GKPXCRBQKVHVLX-ZDUSSCGKSA-N 1 2 292.383 1.203 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@H](C)C#N)[C@H](C)c1ncccn1 ZINC001418710362 960931848 /nfs/dbraw/zinc/93/18/48/960931848.db2.gz ISRJDWCCVZTFDW-CHWSQXEVSA-N 1 2 289.383 1.525 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@H](C)C#N)[C@H](C)c1ncccn1 ZINC001418710362 960931864 /nfs/dbraw/zinc/93/18/64/960931864.db2.gz ISRJDWCCVZTFDW-CHWSQXEVSA-N 1 2 289.383 1.525 20 30 CDEDLO CN(C)c1cccc(Cl)c1C=[NH+]Nc1cnnn1C ZINC001324257925 961254284 /nfs/dbraw/zinc/25/42/84/961254284.db2.gz FJBJALYRNWRQHV-UHFFFAOYSA-N 1 2 278.747 1.981 20 30 CDEDLO C[C@@H](c1csnn1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC001434465647 961452447 /nfs/dbraw/zinc/45/24/47/961452447.db2.gz MMTSWNMHOMVTGI-QMMMGPOBSA-N 1 2 291.384 1.341 20 30 CDEDLO C[C@@H](c1csnn1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC001434465647 961452456 /nfs/dbraw/zinc/45/24/56/961452456.db2.gz MMTSWNMHOMVTGI-QMMMGPOBSA-N 1 2 291.384 1.341 20 30 CDEDLO Cn1ccc(N=NC2CCN(c3cccc[nH+]3)CC2)n1 ZINC001338903830 962056473 /nfs/dbraw/zinc/05/64/73/962056473.db2.gz XWGULTGNGZNMJE-UHFFFAOYSA-N 1 2 270.340 1.883 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCC(c3c[nH+]cn3C)CC2)cn1 ZINC001339257045 962273068 /nfs/dbraw/zinc/27/30/68/962273068.db2.gz CZEHCVRYCVPYKQ-UHFFFAOYSA-N 1 2 294.358 1.816 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1c[nH]cn1 ZINC001437041337 962575242 /nfs/dbraw/zinc/57/52/42/962575242.db2.gz PCFPMOXQSLIYSA-ZDUSSCGKSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)Cc1c[nH]cn1 ZINC001437041337 962575253 /nfs/dbraw/zinc/57/52/53/962575253.db2.gz PCFPMOXQSLIYSA-ZDUSSCGKSA-N 1 2 296.802 1.675 20 30 CDEDLO C[N@H+](CCNC(=O)c1ccncn1)Cc1ccccc1C#N ZINC001420317622 962730843 /nfs/dbraw/zinc/73/08/43/962730843.db2.gz QWLQPAWIYZNWAE-UHFFFAOYSA-N 1 2 295.346 1.210 20 30 CDEDLO C[N@@H+](CCNC(=O)c1ccncn1)Cc1ccccc1C#N ZINC001420317622 962730859 /nfs/dbraw/zinc/73/08/59/962730859.db2.gz QWLQPAWIYZNWAE-UHFFFAOYSA-N 1 2 295.346 1.210 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc(C)n[nH]1 ZINC001420386899 962832639 /nfs/dbraw/zinc/83/26/39/962832639.db2.gz UFUSCINBNBVYMY-UHFFFAOYSA-N 1 2 270.764 1.522 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc(C)n[nH]1 ZINC001420386899 962832648 /nfs/dbraw/zinc/83/26/48/962832648.db2.gz UFUSCINBNBVYMY-UHFFFAOYSA-N 1 2 270.764 1.522 20 30 CDEDLO CCCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001346199505 964982813 /nfs/dbraw/zinc/98/28/13/964982813.db2.gz YHZQNNFTLSPXMW-ZIAGYGMSSA-N 1 2 293.411 1.874 20 30 CDEDLO CCCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001346199505 964982821 /nfs/dbraw/zinc/98/28/21/964982821.db2.gz YHZQNNFTLSPXMW-ZIAGYGMSSA-N 1 2 293.411 1.874 20 30 CDEDLO C[N@H+](CCNC(=O)C1CCC1)Cc1ccccc1C#N ZINC001442334938 964990379 /nfs/dbraw/zinc/99/03/79/964990379.db2.gz PQCYWBJISRRUTK-UHFFFAOYSA-N 1 2 271.364 1.906 20 30 CDEDLO C[N@@H+](CCNC(=O)C1CCC1)Cc1ccccc1C#N ZINC001442334938 964990385 /nfs/dbraw/zinc/99/03/85/964990385.db2.gz PQCYWBJISRRUTK-UHFFFAOYSA-N 1 2 271.364 1.906 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cn1cccn1 ZINC001442629763 965149448 /nfs/dbraw/zinc/14/94/48/965149448.db2.gz JYGVTTFCDXXEMI-UHFFFAOYSA-N 1 2 270.764 1.074 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cn1cccn1 ZINC001442629763 965149454 /nfs/dbraw/zinc/14/94/54/965149454.db2.gz JYGVTTFCDXXEMI-UHFFFAOYSA-N 1 2 270.764 1.074 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001346768818 965246563 /nfs/dbraw/zinc/24/65/63/965246563.db2.gz ZPIHWNZPRVEMCF-RRFJBIMHSA-N 1 2 294.443 1.371 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001346768818 965246576 /nfs/dbraw/zinc/24/65/76/965246576.db2.gz ZPIHWNZPRVEMCF-RRFJBIMHSA-N 1 2 294.443 1.371 20 30 CDEDLO C#CC[NH+]1CCC(OC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC001347400298 965509613 /nfs/dbraw/zinc/50/96/13/965509613.db2.gz GGTBGMXTTWDNEW-UHFFFAOYSA-N 1 2 277.280 1.177 20 30 CDEDLO CO[C@@H](C)CC(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001377136553 974899263 /nfs/dbraw/zinc/89/92/63/974899263.db2.gz JWAIJYAYSSQKSR-ZDUSSCGKSA-N 1 2 289.379 1.531 20 30 CDEDLO CO[C@@H](C)CC(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001377136553 974899267 /nfs/dbraw/zinc/89/92/67/974899267.db2.gz JWAIJYAYSSQKSR-ZDUSSCGKSA-N 1 2 289.379 1.531 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCOC)[C@@H]1C ZINC001507367758 975434756 /nfs/dbraw/zinc/43/47/56/975434756.db2.gz OFXXVQWAUWRFLS-NWDGAFQWSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCOC)[C@@H]1C ZINC001507367758 975434761 /nfs/dbraw/zinc/43/47/61/975434761.db2.gz OFXXVQWAUWRFLS-NWDGAFQWSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cnoc1CC ZINC001406140863 976057618 /nfs/dbraw/zinc/05/76/18/976057618.db2.gz IGZRJILQVYUMTO-UHFFFAOYSA-N 1 2 285.775 1.993 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cnoc1CC ZINC001406140863 976057633 /nfs/dbraw/zinc/05/76/33/976057633.db2.gz IGZRJILQVYUMTO-UHFFFAOYSA-N 1 2 285.775 1.993 20 30 CDEDLO Cn1c[nH+]cc1CCCOC(=O)COc1ccccc1C#N ZINC001515334898 976432144 /nfs/dbraw/zinc/43/21/44/976432144.db2.gz JSDFUEXHMXIVLW-UHFFFAOYSA-N 1 2 299.330 1.847 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001390867585 976567132 /nfs/dbraw/zinc/56/71/32/976567132.db2.gz YJDBFUSWYZMMJP-NSHDSACASA-N 1 2 296.802 1.315 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001390867585 976567147 /nfs/dbraw/zinc/56/71/47/976567147.db2.gz YJDBFUSWYZMMJP-NSHDSACASA-N 1 2 296.802 1.315 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)COCC1CC1 ZINC001403969227 977288519 /nfs/dbraw/zinc/28/85/19/977288519.db2.gz IAVCQGVNHGHZLH-CYBMUJFWSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)COCC1CC1 ZINC001403969227 977288524 /nfs/dbraw/zinc/28/85/24/977288524.db2.gz IAVCQGVNHGHZLH-CYBMUJFWSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001132304169 1163236113 /nfs/dbraw/zinc/23/61/13/1163236113.db2.gz INOGNWIVTCBZSR-JTQLQIEISA-N 1 2 282.413 1.907 20 30 CDEDLO C#CCCCCCC(=O)NCC[NH2+]Cc1nonc1C ZINC001132399009 1163267354 /nfs/dbraw/zinc/26/73/54/1163267354.db2.gz YRUSJVAOPQKDHO-UHFFFAOYSA-N 1 2 278.356 1.168 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001132659754 1163427982 /nfs/dbraw/zinc/42/79/82/1163427982.db2.gz CLFOMPQOUCCEKQ-QWRGUYRKSA-N 1 2 282.413 1.907 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[NH2+]Cc1csnn1 ZINC001132667661 1163432165 /nfs/dbraw/zinc/43/21/65/1163432165.db2.gz PYQVVZUULGKGLJ-SNVBAGLBSA-N 1 2 268.386 1.346 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001132667118 1163432307 /nfs/dbraw/zinc/43/23/07/1163432307.db2.gz DCACYJIYOCJTOM-CYBMUJFWSA-N 1 2 276.384 1.593 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cnn[nH]2)C1 ZINC001575085451 1171108694 /nfs/dbraw/zinc/10/86/94/1171108694.db2.gz JVZJQUNRKMHORD-LBPRGKRZSA-N 1 2 277.372 1.051 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H](C[N@H+](C)Cc2cnn[nH]2)C1 ZINC001575085451 1171108697 /nfs/dbraw/zinc/10/86/97/1171108697.db2.gz JVZJQUNRKMHORD-LBPRGKRZSA-N 1 2 277.372 1.051 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H](C[N@@H+](C)Cc2c[nH]nn2)C1 ZINC001575085451 1171108703 /nfs/dbraw/zinc/10/87/03/1171108703.db2.gz JVZJQUNRKMHORD-LBPRGKRZSA-N 1 2 277.372 1.051 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H](C[N@H+](C)Cc2c[nH]nn2)C1 ZINC001575085451 1171108708 /nfs/dbraw/zinc/10/87/08/1171108708.db2.gz JVZJQUNRKMHORD-LBPRGKRZSA-N 1 2 277.372 1.051 20 30 CDEDLO COc1nc(C)cc(C)c1C[NH+]1CCN(CCC#N)CC1 ZINC000588203908 342494377 /nfs/dbraw/zinc/49/43/77/342494377.db2.gz VMVLUEOQLZTBGU-UHFFFAOYSA-N 1 2 288.395 1.738 20 30 CDEDLO Cc1ccc(C#N)nc1N[C@H](C)C[NH+]1CCOCC1 ZINC000589106169 342497472 /nfs/dbraw/zinc/49/74/72/342497472.db2.gz FESHRPXDVGKQDZ-GFCCVEGCSA-N 1 2 260.341 1.394 20 30 CDEDLO C=CCCC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616868877 342569424 /nfs/dbraw/zinc/56/94/24/342569424.db2.gz WFNMMRRLELVWLH-GFCCVEGCSA-N 1 2 265.357 1.562 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1cnn(CC)c1 ZINC000072982265 342026391 /nfs/dbraw/zinc/02/63/91/342026391.db2.gz VYDIRVOMPVDNAX-UHFFFAOYSA-N 1 2 277.372 1.097 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1cnn(CC)c1 ZINC000072982265 342026392 /nfs/dbraw/zinc/02/63/92/342026392.db2.gz VYDIRVOMPVDNAX-UHFFFAOYSA-N 1 2 277.372 1.097 20 30 CDEDLO N#Cc1ccc([N+](=O)[O-])c(NCC[NH+]2CCOCC2)c1 ZINC000124726305 187150638 /nfs/dbraw/zinc/15/06/38/187150638.db2.gz SUQXCASAGXVFAQ-UHFFFAOYSA-N 1 2 276.296 1.211 20 30 CDEDLO CCC#C[C@@H](C)[NH+]1CCC(C(=O)OCC)([S@](C)=O)CC1 ZINC000590747345 342587093 /nfs/dbraw/zinc/58/70/93/342587093.db2.gz WRAYQKHTACROGR-XCLFUZPHSA-N 1 2 299.436 1.565 20 30 CDEDLO CCC#C[C@H](C)[NH+]1CCC(C(=O)OCC)([S@@](C)=O)CC1 ZINC000590747344 342587128 /nfs/dbraw/zinc/58/71/28/342587128.db2.gz WRAYQKHTACROGR-RNODOKPDSA-N 1 2 299.436 1.565 20 30 CDEDLO C=C[C@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)C(=O)OC ZINC000591376602 342629205 /nfs/dbraw/zinc/62/92/05/342629205.db2.gz XBVOCJLWXNQNTC-RYUDHWBXSA-N 1 2 253.342 1.653 20 30 CDEDLO C[C@@H](C#N)CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611627025 346833241 /nfs/dbraw/zinc/83/32/41/346833241.db2.gz SIWWWEXZGVVKNT-NWDGAFQWSA-N 1 2 261.329 1.389 20 30 CDEDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000592193458 342674865 /nfs/dbraw/zinc/67/48/65/342674865.db2.gz AJBJWQDMUSDRDF-JSGCOSHPSA-N 1 2 292.310 1.053 20 30 CDEDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000592193458 342674866 /nfs/dbraw/zinc/67/48/66/342674866.db2.gz AJBJWQDMUSDRDF-JSGCOSHPSA-N 1 2 292.310 1.053 20 30 CDEDLO CC1(C)C[N@H+](Cc2cnc3c(C#N)cnn3c2)C(C)(C)CO1 ZINC000592499711 342705252 /nfs/dbraw/zinc/70/52/52/342705252.db2.gz CCZVEOUJDIOUDT-UHFFFAOYSA-N 1 2 299.378 1.990 20 30 CDEDLO CC1(C)C[N@@H+](Cc2cnc3c(C#N)cnn3c2)C(C)(C)CO1 ZINC000592499711 342705253 /nfs/dbraw/zinc/70/52/53/342705253.db2.gz CCZVEOUJDIOUDT-UHFFFAOYSA-N 1 2 299.378 1.990 20 30 CDEDLO CC(C)Oc1cncc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000593154288 342774037 /nfs/dbraw/zinc/77/40/37/342774037.db2.gz FQMXDHKXMDCSMC-HNNXBMFYSA-N 1 2 290.367 1.442 20 30 CDEDLO CC[C@@H](C#N)C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000593407518 342791838 /nfs/dbraw/zinc/79/18/38/342791838.db2.gz NILJHUPMNQHKCS-ZDUSSCGKSA-N 1 2 290.367 1.485 20 30 CDEDLO CN(CC(=O)Nc1sccc1C#N)Cc1c[nH+]c[nH]1 ZINC000595594217 343096470 /nfs/dbraw/zinc/09/64/70/343096470.db2.gz IUESQYWMLIIBAR-UHFFFAOYSA-N 1 2 275.337 1.413 20 30 CDEDLO CN(CC(=O)Nc1sccc1C#N)Cc1c[nH]c[nH+]1 ZINC000595594217 343096472 /nfs/dbraw/zinc/09/64/72/343096472.db2.gz IUESQYWMLIIBAR-UHFFFAOYSA-N 1 2 275.337 1.413 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](Cc2nnnn2-c2ccccc2)C1 ZINC000595609677 343108287 /nfs/dbraw/zinc/10/82/87/343108287.db2.gz NVYIIOJVEOJSOG-CYBMUJFWSA-N 1 2 282.351 1.788 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](Cc2nnnn2-c2ccccc2)C1 ZINC000595609677 343108288 /nfs/dbraw/zinc/10/82/88/343108288.db2.gz NVYIIOJVEOJSOG-CYBMUJFWSA-N 1 2 282.351 1.788 20 30 CDEDLO C=CCCSCCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000595590009 343095028 /nfs/dbraw/zinc/09/50/28/343095028.db2.gz PQKGALKYUANJGS-LBPRGKRZSA-N 1 2 294.424 1.806 20 30 CDEDLO CC[C@@H](C(N)=O)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595633534 343111564 /nfs/dbraw/zinc/11/15/64/343111564.db2.gz ZIQKSDGRWZJQNR-JTQLQIEISA-N 1 2 278.381 1.006 20 30 CDEDLO C[C@@H](C(=O)N(C)C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595633065 343113648 /nfs/dbraw/zinc/11/36/48/343113648.db2.gz KTMBAFKZUBOQBM-NSHDSACASA-N 1 2 292.408 1.218 20 30 CDEDLO COc1ccccc1CCNC(=O)C[NH2+][C@H](C)CC#N ZINC000619550726 349798824 /nfs/dbraw/zinc/79/88/24/349798824.db2.gz SWXGCWOUWKHTEN-GFCCVEGCSA-N 1 2 275.352 1.246 20 30 CDEDLO Cn1cc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)nn1 ZINC000595761012 343144352 /nfs/dbraw/zinc/14/43/52/343144352.db2.gz YFFKXRRTTFMNBF-UHFFFAOYSA-N 1 2 298.350 1.147 20 30 CDEDLO Cn1cc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)nn1 ZINC000595761012 343144354 /nfs/dbraw/zinc/14/43/54/343144354.db2.gz YFFKXRRTTFMNBF-UHFFFAOYSA-N 1 2 298.350 1.147 20 30 CDEDLO COCC[NH+]1CCN(c2nc(C#N)c(Cl)s2)CC1 ZINC000596063633 343223826 /nfs/dbraw/zinc/22/38/26/343223826.db2.gz XMMLMWBHMZQBQG-UHFFFAOYSA-N 1 2 286.788 1.437 20 30 CDEDLO Cn1ncc(C#N)c1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000596169197 343258347 /nfs/dbraw/zinc/25/83/47/343258347.db2.gz SGRYNYCTYYUMQN-UHFFFAOYSA-N 1 2 299.353 1.753 20 30 CDEDLO COC(=O)c1ccc(N2CCc3[nH+]c[nH]c3C2)c(C#N)n1 ZINC000596235892 343282299 /nfs/dbraw/zinc/28/22/99/343282299.db2.gz BHMRYAAUJLYYAT-UHFFFAOYSA-N 1 2 283.291 1.026 20 30 CDEDLO C#CC[NH+]1CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000089592075 342392322 /nfs/dbraw/zinc/39/23/22/342392322.db2.gz VZBWGYKNBRPLHW-UHFFFAOYSA-N 1 2 293.298 1.498 20 30 CDEDLO COCC[N@H+](CCC#N)CCC(=O)Nc1ccccc1 ZINC000072690101 349811689 /nfs/dbraw/zinc/81/16/89/349811689.db2.gz PYOYZROEPIADFP-UHFFFAOYSA-N 1 2 275.352 1.877 20 30 CDEDLO COCC[N@@H+](CCC#N)CCC(=O)Nc1ccccc1 ZINC000072690101 349811691 /nfs/dbraw/zinc/81/16/91/349811691.db2.gz PYOYZROEPIADFP-UHFFFAOYSA-N 1 2 275.352 1.877 20 30 CDEDLO CC(C)(C#N)CC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000598343037 343771191 /nfs/dbraw/zinc/77/11/91/343771191.db2.gz PMUVVXRNVWRUOR-UHFFFAOYSA-N 1 2 293.411 1.497 20 30 CDEDLO C[N@H+](CC(=O)Nc1nc2c(s1)CCC2)C1(CO)CC1 ZINC000329209021 529852903 /nfs/dbraw/zinc/85/29/03/529852903.db2.gz YWDOQOLLVJTNLV-UHFFFAOYSA-N 1 2 281.381 1.677 20 30 CDEDLO C[N@@H+](CC(=O)Nc1nc2c(s1)CCC2)C1(CO)CC1 ZINC000329209021 529852904 /nfs/dbraw/zinc/85/29/04/529852904.db2.gz YWDOQOLLVJTNLV-UHFFFAOYSA-N 1 2 281.381 1.677 20 30 CDEDLO Cc1nc([C@H]2CCC[N@@H+]2C[C@H](O)CC(C)(C)C#N)no1 ZINC000598591664 343838277 /nfs/dbraw/zinc/83/82/77/343838277.db2.gz XYIMLKZSBCZBOK-VXGBXAGGSA-N 1 2 278.356 1.816 20 30 CDEDLO Cc1nc([C@H]2CCC[N@H+]2C[C@H](O)CC(C)(C)C#N)no1 ZINC000598591664 343838279 /nfs/dbraw/zinc/83/82/79/343838279.db2.gz XYIMLKZSBCZBOK-VXGBXAGGSA-N 1 2 278.356 1.816 20 30 CDEDLO N#Cc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)s1 ZINC000598945836 343925736 /nfs/dbraw/zinc/92/57/36/343925736.db2.gz CVKXVPIOAJSFKK-VIFPVBQESA-N 1 2 272.333 1.561 20 30 CDEDLO CC[C@@H](C)[C@H](C[N@H+](CCC#N)CCN1CCOCC1)OC ZINC000602423758 344420882 /nfs/dbraw/zinc/42/08/82/344420882.db2.gz GCQQDFUPULDXSE-CVEARBPZSA-N 1 2 297.443 1.595 20 30 CDEDLO CC[C@@H](C)[C@H](C[N@@H+](CCC#N)CCN1CCOCC1)OC ZINC000602423758 344420884 /nfs/dbraw/zinc/42/08/84/344420884.db2.gz GCQQDFUPULDXSE-CVEARBPZSA-N 1 2 297.443 1.595 20 30 CDEDLO CC[C@@H](C)[C@H](CN(CCC#N)CC[NH+]1CCOCC1)OC ZINC000602423758 344420887 /nfs/dbraw/zinc/42/08/87/344420887.db2.gz GCQQDFUPULDXSE-CVEARBPZSA-N 1 2 297.443 1.595 20 30 CDEDLO N#CCC[N@@H+](Cc1ccc(S(N)(=O)=O)cc1)CC1CC1 ZINC000602465267 344426257 /nfs/dbraw/zinc/42/62/57/344426257.db2.gz MTJNZEBPXQQEME-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO N#CCC[N@H+](Cc1ccc(S(N)(=O)=O)cc1)CC1CC1 ZINC000602465267 344426259 /nfs/dbraw/zinc/42/62/59/344426259.db2.gz MTJNZEBPXQQEME-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000602860430 344616224 /nfs/dbraw/zinc/61/62/24/344616224.db2.gz DIFRECSIRXBVFU-BZPMIXESSA-N 1 2 287.363 1.907 20 30 CDEDLO CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@H](C)CC#N ZINC000602860425 344616283 /nfs/dbraw/zinc/61/62/83/344616283.db2.gz BOBICYRYGHQLGQ-SECBINFHSA-N 1 2 295.364 1.755 20 30 CDEDLO Cc1ccccc1CN(C)C(=O)C[NH2+][C@H](C)CC#N ZINC000602863666 344637729 /nfs/dbraw/zinc/63/77/29/344637729.db2.gz PHCMOCVOPHMCQO-CYBMUJFWSA-N 1 2 259.353 1.845 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)N1CC(=O)Nc2ccccc21 ZINC000602870382 344641250 /nfs/dbraw/zinc/64/12/50/344641250.db2.gz STECCGKSTKQBLC-WDEREUQCSA-N 1 2 286.335 1.252 20 30 CDEDLO C[NH+]1CCC(C#N)(NC(=O)c2n[nH]c3ccccc32)CC1 ZINC000603885916 344843082 /nfs/dbraw/zinc/84/30/82/344843082.db2.gz ADWAPCDTUYCJRO-UHFFFAOYSA-N 1 2 283.335 1.281 20 30 CDEDLO CC(C)CNC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609486646 344915880 /nfs/dbraw/zinc/91/58/80/344915880.db2.gz OKOVDECMBGWEDA-CABCVRRESA-N 1 2 294.443 1.313 20 30 CDEDLO C=C(Cl)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000050071653 344981654 /nfs/dbraw/zinc/98/16/54/344981654.db2.gz YQOYWAFCOMDTCV-UHFFFAOYSA-N 1 2 262.744 1.828 20 30 CDEDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CCOc1ccccc1C#N ZINC000129228210 362535700 /nfs/dbraw/zinc/53/57/00/362535700.db2.gz NWNBMACAYZUHEB-OCCSQVGLSA-N 1 2 276.336 1.019 20 30 CDEDLO C[C@@H]1CO[C@H](CO)C[N@H+]1CCOc1ccccc1C#N ZINC000129228210 362535709 /nfs/dbraw/zinc/53/57/09/362535709.db2.gz NWNBMACAYZUHEB-OCCSQVGLSA-N 1 2 276.336 1.019 20 30 CDEDLO N#CC1(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)CCC1 ZINC000382640849 345231669 /nfs/dbraw/zinc/23/16/69/345231669.db2.gz OAVBQWUQFUARLG-ZDUSSCGKSA-N 1 2 277.368 1.003 20 30 CDEDLO N#CCCN1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000609564469 345810413 /nfs/dbraw/zinc/81/04/13/345810413.db2.gz XHGBRLYJTFKIIL-HNNXBMFYSA-N 1 2 293.798 1.905 20 30 CDEDLO CCO[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000609676632 345989220 /nfs/dbraw/zinc/98/92/20/345989220.db2.gz XLDQIBANXKJHHT-LSDHHAIUSA-N 1 2 287.363 1.586 20 30 CDEDLO CCO[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000609676632 345989223 /nfs/dbraw/zinc/98/92/23/345989223.db2.gz XLDQIBANXKJHHT-LSDHHAIUSA-N 1 2 287.363 1.586 20 30 CDEDLO C[C@H](C#N)CN(C)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000357824729 346098697 /nfs/dbraw/zinc/09/86/97/346098697.db2.gz LRQMRPOVKGYHIW-ZYHUDNBSSA-N 1 2 275.356 1.672 20 30 CDEDLO C[C@@H](C#N)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000610257867 346232342 /nfs/dbraw/zinc/23/23/42/346232342.db2.gz DDJCMMNEQVXHLJ-JSGCOSHPSA-N 1 2 272.352 1.322 20 30 CDEDLO C[C@@H](C#N)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000610257867 346232343 /nfs/dbraw/zinc/23/23/43/346232343.db2.gz DDJCMMNEQVXHLJ-JSGCOSHPSA-N 1 2 272.352 1.322 20 30 CDEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC000610481194 346291214 /nfs/dbraw/zinc/29/12/14/346291214.db2.gz OQRVEBROPNYLBQ-LSDHHAIUSA-N 1 2 294.443 1.407 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)C[C@@H](CO)O1 ZINC000249299382 362758441 /nfs/dbraw/zinc/75/84/41/362758441.db2.gz NKFBARAUUOJILF-KOLCDFICSA-N 1 2 252.339 1.201 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)C[C@@H](CO)O1 ZINC000249299382 362758444 /nfs/dbraw/zinc/75/84/44/362758444.db2.gz NKFBARAUUOJILF-KOLCDFICSA-N 1 2 252.339 1.201 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449652217 362764236 /nfs/dbraw/zinc/76/42/36/362764236.db2.gz PLJKTSRIPJDPER-WDEREUQCSA-N 1 2 276.327 1.329 20 30 CDEDLO C=C[C@](C)(O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000612348081 347124574 /nfs/dbraw/zinc/12/45/74/347124574.db2.gz URURFHJPNXOYCS-BZPMIXESSA-N 1 2 263.341 1.230 20 30 CDEDLO CCC[N@H+](CC#CCOC)CC(=O)OC(C)(C)C ZINC000612543144 347205703 /nfs/dbraw/zinc/20/57/03/347205703.db2.gz FFNBWINDLPNOFF-UHFFFAOYSA-N 1 2 255.358 1.690 20 30 CDEDLO CCC[N@@H+](CC#CCOC)CC(=O)OC(C)(C)C ZINC000612543144 347205705 /nfs/dbraw/zinc/20/57/05/347205705.db2.gz FFNBWINDLPNOFF-UHFFFAOYSA-N 1 2 255.358 1.690 20 30 CDEDLO CCNC(=O)C[N@H+](C)Cc1cc(C#N)ccc1OC ZINC000130430002 347414345 /nfs/dbraw/zinc/41/43/45/347414345.db2.gz DYNHEPDWKJZODN-UHFFFAOYSA-N 1 2 261.325 1.135 20 30 CDEDLO CCNC(=O)C[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000130430002 347414348 /nfs/dbraw/zinc/41/43/48/347414348.db2.gz DYNHEPDWKJZODN-UHFFFAOYSA-N 1 2 261.325 1.135 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(c2ccncc2)CC1 ZINC000619722542 348213680 /nfs/dbraw/zinc/21/36/80/348213680.db2.gz OIQHXILJXTVDGK-CQSZACIVSA-N 1 2 260.337 1.989 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(C#N)cc1F ZINC000414154078 362925209 /nfs/dbraw/zinc/92/52/09/362925209.db2.gz YYGJBJCJKNQIEG-GFCCVEGCSA-N 1 2 277.299 1.283 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(C#N)cc1F ZINC000414154078 362925217 /nfs/dbraw/zinc/92/52/17/362925217.db2.gz YYGJBJCJKNQIEG-GFCCVEGCSA-N 1 2 277.299 1.283 20 30 CDEDLO N#C[C@@]1(F)CCN(C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000615577798 348595121 /nfs/dbraw/zinc/59/51/21/348595121.db2.gz NNJQZANULGPXIS-AWEZNQCLSA-N 1 2 287.298 1.481 20 30 CDEDLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)CC(=O)NCC#N ZINC000066495040 348985669 /nfs/dbraw/zinc/98/56/69/348985669.db2.gz CVWOZQLGHFYYNH-VIFPVBQESA-N 1 2 267.279 1.597 20 30 CDEDLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CC(=O)NCC#N ZINC000066495040 348985671 /nfs/dbraw/zinc/98/56/71/348985671.db2.gz CVWOZQLGHFYYNH-VIFPVBQESA-N 1 2 267.279 1.597 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCCCCn1cc[nH+]c1 ZINC000066921762 349004901 /nfs/dbraw/zinc/00/49/01/349004901.db2.gz SHSHHSONKCPELD-ZDUSSCGKSA-N 1 2 265.357 1.761 20 30 CDEDLO O=C(N=C1NCC(=O)N1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000068713551 349075532 /nfs/dbraw/zinc/07/55/32/349075532.db2.gz YISMTAOVJAOYII-LBPRGKRZSA-N 1 2 286.335 1.093 20 30 CDEDLO O=C(N=C1NCC(=O)N1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000068713551 349075533 /nfs/dbraw/zinc/07/55/33/349075533.db2.gz YISMTAOVJAOYII-LBPRGKRZSA-N 1 2 286.335 1.093 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000068468680 349068166 /nfs/dbraw/zinc/06/81/66/349068166.db2.gz DCJANJOVAQISOJ-UHFFFAOYSA-N 1 2 280.730 1.870 20 30 CDEDLO CN(C)C(=O)CO[NH+]=C(N)c1cccc(Cl)c1 ZINC000263881169 362948070 /nfs/dbraw/zinc/94/80/70/362948070.db2.gz TWMSVDRHXFWVJY-UHFFFAOYSA-N 1 2 255.705 1.065 20 30 CDEDLO CC(=O)N1CC[N@H+](Cc2cccc(C#N)n2)[C@H](C)C1 ZINC000602473271 350113239 /nfs/dbraw/zinc/11/32/39/350113239.db2.gz LKHZNADDXAQGMO-LLVKDONJSA-N 1 2 258.325 1.006 20 30 CDEDLO CC(=O)N1CC[N@@H+](Cc2cccc(C#N)n2)[C@H](C)C1 ZINC000602473271 350113243 /nfs/dbraw/zinc/11/32/43/350113243.db2.gz LKHZNADDXAQGMO-LLVKDONJSA-N 1 2 258.325 1.006 20 30 CDEDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cccc(C#N)n2)CC1 ZINC000602650635 350138658 /nfs/dbraw/zinc/13/86/58/350138658.db2.gz DXGDWAVATUXONJ-CQSZACIVSA-N 1 2 293.392 1.352 20 30 CDEDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C#N)n2)CC1 ZINC000602650635 350138663 /nfs/dbraw/zinc/13/86/63/350138663.db2.gz DXGDWAVATUXONJ-CQSZACIVSA-N 1 2 293.392 1.352 20 30 CDEDLO C[C@@H]1[C@@H](C)[N@H+](Cc2cccc(C#N)c2)[C@@H](C)C(=O)N1C ZINC000602849506 350155075 /nfs/dbraw/zinc/15/50/75/350155075.db2.gz ROLKOGZWIQYGEW-UPJWGTAASA-N 1 2 271.364 1.998 20 30 CDEDLO C[C@@H]1[C@@H](C)[N@@H+](Cc2cccc(C#N)c2)[C@@H](C)C(=O)N1C ZINC000602849506 350155077 /nfs/dbraw/zinc/15/50/77/350155077.db2.gz ROLKOGZWIQYGEW-UPJWGTAASA-N 1 2 271.364 1.998 20 30 CDEDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(C#N)cn1)C(C)(C)CO ZINC000602881165 350158961 /nfs/dbraw/zinc/15/89/61/350158961.db2.gz JANCUPFQWPNLQH-CQSZACIVSA-N 1 2 299.378 1.536 20 30 CDEDLO C=C(C)[C@H](CC(=O)N[C@H](C)c1[nH+]ccn1C)OCC ZINC000620604090 350278202 /nfs/dbraw/zinc/27/82/02/350278202.db2.gz QCIXRGUAPXVBMH-NEPJUHHUSA-N 1 2 265.357 1.969 20 30 CDEDLO CC[C@H]1C(=O)NCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000106361335 186109706 /nfs/dbraw/zinc/10/97/06/186109706.db2.gz PBGIIRFGQVVULF-AWEZNQCLSA-N 1 2 273.336 1.147 20 30 CDEDLO CC[C@H]1C(=O)NCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000106361335 186109708 /nfs/dbraw/zinc/10/97/08/186109708.db2.gz PBGIIRFGQVVULF-AWEZNQCLSA-N 1 2 273.336 1.147 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000569840837 363133156 /nfs/dbraw/zinc/13/31/56/363133156.db2.gz PHZGULNIVSSJPE-RISCZKNCSA-N 1 2 263.341 1.440 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000569840837 363133161 /nfs/dbraw/zinc/13/31/61/363133161.db2.gz PHZGULNIVSSJPE-RISCZKNCSA-N 1 2 263.341 1.440 20 30 CDEDLO C=CC[N@@H+](Cc1csc(CC(=O)N(C)C)n1)C1CC1 ZINC000271542162 191201459 /nfs/dbraw/zinc/20/14/59/191201459.db2.gz ZAFANTFXQXJQFC-UHFFFAOYSA-N 1 2 279.409 1.924 20 30 CDEDLO C=CC[N@H+](Cc1csc(CC(=O)N(C)C)n1)C1CC1 ZINC000271542162 191201462 /nfs/dbraw/zinc/20/14/62/191201462.db2.gz ZAFANTFXQXJQFC-UHFFFAOYSA-N 1 2 279.409 1.924 20 30 CDEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3c[nH]cn3)C2)nc1 ZINC000292054284 198148055 /nfs/dbraw/zinc/14/80/55/198148055.db2.gz BNSKGDPAXAYHQR-ZDUSSCGKSA-N 1 2 269.308 1.330 20 30 CDEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3c[nH]cn3)C2)nc1 ZINC000292054284 198148056 /nfs/dbraw/zinc/14/80/56/198148056.db2.gz BNSKGDPAXAYHQR-ZDUSSCGKSA-N 1 2 269.308 1.330 20 30 CDEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cnc[nH]3)C2)nc1 ZINC000292054284 198148058 /nfs/dbraw/zinc/14/80/58/198148058.db2.gz BNSKGDPAXAYHQR-ZDUSSCGKSA-N 1 2 269.308 1.330 20 30 CDEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cnc[nH]3)C2)nc1 ZINC000292054284 198148059 /nfs/dbraw/zinc/14/80/59/198148059.db2.gz BNSKGDPAXAYHQR-ZDUSSCGKSA-N 1 2 269.308 1.330 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000356803778 358472681 /nfs/dbraw/zinc/47/26/81/358472681.db2.gz VJYHBBDFDDYLKV-UHFFFAOYSA-N 1 2 280.331 1.640 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152914743 188052239 /nfs/dbraw/zinc/05/22/39/188052239.db2.gz IIIUOWILIIVHMH-ZIAGYGMSSA-N 1 2 289.379 1.758 20 30 CDEDLO C#CCN(C)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000292417496 198280630 /nfs/dbraw/zinc/28/06/30/198280630.db2.gz MQJXBEMKTFZTRZ-UHFFFAOYSA-N 1 2 270.336 1.619 20 30 CDEDLO CCc1nnc([C@@H](C)[NH2+]Cc2cc(C#N)n(C)c2)[nH]1 ZINC000276668457 366102384 /nfs/dbraw/zinc/10/23/84/366102384.db2.gz YCSAQZPDOCWEGQ-SECBINFHSA-N 1 2 258.329 1.428 20 30 CDEDLO CC(=O)c1cc(C(=O)NC2(C#N)CC[NH+](C)CC2)ccc1C ZINC000570154501 363391723 /nfs/dbraw/zinc/39/17/23/363391723.db2.gz DFTMNFGKWICUNB-UHFFFAOYSA-N 1 2 299.374 1.915 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000293487464 198655111 /nfs/dbraw/zinc/65/51/11/198655111.db2.gz MUVOEVBMBMNXKE-UHFFFAOYSA-N 1 2 292.354 1.786 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)c1cnccc1C#N ZINC000342947004 356408911 /nfs/dbraw/zinc/40/89/11/356408911.db2.gz PAZMLLKTVNJPAO-UHFFFAOYSA-N 1 2 269.308 1.312 20 30 CDEDLO C[C@@H]1CCN(c2cncc(C#N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000584046483 366255075 /nfs/dbraw/zinc/25/50/75/366255075.db2.gz WEEHQSYBEMBEBF-YPMHNXCESA-N 1 2 268.324 1.632 20 30 CDEDLO C=C(C)CN(CC)C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000298763280 356912809 /nfs/dbraw/zinc/91/28/09/356912809.db2.gz XHIBSPZDUMODFC-UHFFFAOYSA-N 1 2 286.335 1.697 20 30 CDEDLO CN(C(=O)C[N@@H+]1CCOC(C)(C)C1)C1(C#N)CCCCC1 ZINC000073872143 356934801 /nfs/dbraw/zinc/93/48/01/356934801.db2.gz UYWKCWUHIFKDCY-UHFFFAOYSA-N 1 2 293.411 1.782 20 30 CDEDLO CN(C(=O)C[N@H+]1CCOC(C)(C)C1)C1(C#N)CCCCC1 ZINC000073872143 356934804 /nfs/dbraw/zinc/93/48/04/356934804.db2.gz UYWKCWUHIFKDCY-UHFFFAOYSA-N 1 2 293.411 1.782 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NCc1ccccc1F ZINC000299189503 356981216 /nfs/dbraw/zinc/98/12/16/356981216.db2.gz CTELVFKFTNQVCE-CYBMUJFWSA-N 1 2 272.323 1.399 20 30 CDEDLO Cn1ccc(C[N@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344157784 356948972 /nfs/dbraw/zinc/94/89/72/356948972.db2.gz WQDZMESUJNPUSX-UHFFFAOYSA-N 1 2 284.363 1.940 20 30 CDEDLO Cn1ccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344157784 356948975 /nfs/dbraw/zinc/94/89/75/356948975.db2.gz WQDZMESUJNPUSX-UHFFFAOYSA-N 1 2 284.363 1.940 20 30 CDEDLO C=CC[C@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)c1ccccc1 ZINC000188742313 357073675 /nfs/dbraw/zinc/07/36/75/357073675.db2.gz KUPJBTNTLMOPHS-SJORKVTESA-N 1 2 299.418 1.462 20 30 CDEDLO C#CC[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000024201849 357325139 /nfs/dbraw/zinc/32/51/39/357325139.db2.gz SLNXSOUZCTZRBL-UHFFFAOYSA-N 1 2 258.350 1.447 20 30 CDEDLO CCOC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000182273226 357428467 /nfs/dbraw/zinc/42/84/67/357428467.db2.gz YZGMPWOGBKGNQF-CABCVRRESA-N 1 2 288.347 1.619 20 30 CDEDLO CCOC(=O)[C@H]1CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000182273226 357428471 /nfs/dbraw/zinc/42/84/71/357428471.db2.gz YZGMPWOGBKGNQF-CABCVRRESA-N 1 2 288.347 1.619 20 30 CDEDLO C#C[C@@H](C)NC(=O)NCCCCNc1cccc[nH+]1 ZINC000186073015 357608995 /nfs/dbraw/zinc/60/89/95/357608995.db2.gz GWWGFOYYYLLABA-GFCCVEGCSA-N 1 2 260.341 1.595 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](F)C1 ZINC000334813490 357639881 /nfs/dbraw/zinc/63/98/81/357639881.db2.gz SNWNCGJLKHIQIA-ZYHUDNBSSA-N 1 2 261.300 1.929 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](F)C1 ZINC000334813490 357639884 /nfs/dbraw/zinc/63/98/84/357639884.db2.gz SNWNCGJLKHIQIA-ZYHUDNBSSA-N 1 2 261.300 1.929 20 30 CDEDLO COCCN1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000186288219 357634707 /nfs/dbraw/zinc/63/47/07/357634707.db2.gz GAQPSCPBETWNJU-CQSZACIVSA-N 1 2 273.380 1.883 20 30 CDEDLO N#CC1(NC(=O)C2CC[NH+](CC(F)F)CC2)CCC1 ZINC000407999820 357740277 /nfs/dbraw/zinc/74/02/77/357740277.db2.gz XKUNBAAVQCJXJM-UHFFFAOYSA-N 1 2 271.311 1.526 20 30 CDEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1ccnc(C#N)n1 ZINC000566477376 357827379 /nfs/dbraw/zinc/82/73/79/357827379.db2.gz CECZLXQTNBDPOK-UHFFFAOYSA-N 1 2 296.256 1.743 20 30 CDEDLO C#CCO[C@@H](C)C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000294428959 199036334 /nfs/dbraw/zinc/03/63/34/199036334.db2.gz AIICCXVFMXSSJB-LBPRGKRZSA-N 1 2 271.320 1.297 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCS(C)(=O)=O ZINC000188484270 357902755 /nfs/dbraw/zinc/90/27/55/357902755.db2.gz ROUIDRABCLVCQR-LLVKDONJSA-N 1 2 266.366 1.596 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCS(C)(=O)=O ZINC000188484270 357902756 /nfs/dbraw/zinc/90/27/56/357902756.db2.gz ROUIDRABCLVCQR-LLVKDONJSA-N 1 2 266.366 1.596 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@](F)(CO)C2)c(F)c1 ZINC000286821654 358012102 /nfs/dbraw/zinc/01/21/02/358012102.db2.gz KMQFDGLDEFYKSC-AWEZNQCLSA-N 1 2 266.291 1.994 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@](F)(CO)C2)c(F)c1 ZINC000286821654 358012104 /nfs/dbraw/zinc/01/21/04/358012104.db2.gz KMQFDGLDEFYKSC-AWEZNQCLSA-N 1 2 266.291 1.994 20 30 CDEDLO CC[C@H](C(N)=O)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000080908517 358107955 /nfs/dbraw/zinc/10/79/55/358107955.db2.gz HPRVSSIJAGCGAN-CABCVRRESA-N 1 2 286.379 1.133 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000592149052 358587675 /nfs/dbraw/zinc/58/76/75/358587675.db2.gz HKQNQIXSRLUJPQ-AWEZNQCLSA-N 1 2 295.289 1.254 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000592149052 358587677 /nfs/dbraw/zinc/58/76/77/358587677.db2.gz HKQNQIXSRLUJPQ-AWEZNQCLSA-N 1 2 295.289 1.254 20 30 CDEDLO C#CC[C@H](CC(F)(F)F)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493754406 366492132 /nfs/dbraw/zinc/49/21/32/366492132.db2.gz YKBFJJDPVWAUTA-XRVBUDJMSA-N 1 2 271.242 1.883 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(C#N)c1 ZINC000042509987 358955210 /nfs/dbraw/zinc/95/52/10/358955210.db2.gz ZLIBJZTVQMGXGA-LLVKDONJSA-N 1 2 254.293 1.573 20 30 CDEDLO CCC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000346511215 359019085 /nfs/dbraw/zinc/01/90/85/359019085.db2.gz VKMVQKUSSZJESC-CHWSQXEVSA-N 1 2 279.384 1.438 20 30 CDEDLO CCC[C@@H]1C[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000346511215 359019090 /nfs/dbraw/zinc/01/90/90/359019090.db2.gz VKMVQKUSSZJESC-CHWSQXEVSA-N 1 2 279.384 1.438 20 30 CDEDLO C=C1CC[NH+](CC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000264449729 359307836 /nfs/dbraw/zinc/30/78/36/359307836.db2.gz HWBIBVJNHFIAFH-UHFFFAOYSA-N 1 2 273.336 1.987 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](CC)CC(=O)NCC ZINC000270774089 359410605 /nfs/dbraw/zinc/41/06/05/359410605.db2.gz MPRKFFANWILZCG-CYBMUJFWSA-N 1 2 281.400 1.034 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](CC)CC(=O)NCC ZINC000270774089 359410612 /nfs/dbraw/zinc/41/06/12/359410612.db2.gz MPRKFFANWILZCG-CYBMUJFWSA-N 1 2 281.400 1.034 20 30 CDEDLO C=CC[N@@H+](CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C ZINC000272842989 359472338 /nfs/dbraw/zinc/47/23/38/359472338.db2.gz SMVVHJDKBRYRNS-NSHDSACASA-N 1 2 270.373 1.341 20 30 CDEDLO C=CC[N@H+](CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C ZINC000272842989 359472340 /nfs/dbraw/zinc/47/23/40/359472340.db2.gz SMVVHJDKBRYRNS-NSHDSACASA-N 1 2 270.373 1.341 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1csc(C)n1 ZINC000272889444 359473641 /nfs/dbraw/zinc/47/36/41/359473641.db2.gz SIJANAQIZWUDRK-VIFPVBQESA-N 1 2 274.411 1.703 20 30 CDEDLO C#CCN(C(=O)NCc1ccc(N(C)C)[nH+]c1)C1CC1 ZINC000274110395 359491851 /nfs/dbraw/zinc/49/18/51/359491851.db2.gz LESBVGPVZCLVKG-UHFFFAOYSA-N 1 2 272.352 1.455 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C)sn2)CC1 ZINC000278060688 359577728 /nfs/dbraw/zinc/57/77/28/359577728.db2.gz VDTWIDXTEWUSPO-UHFFFAOYSA-N 1 2 263.366 1.233 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+](C)Cc1ncnn1CC(F)F ZINC000278372274 359580091 /nfs/dbraw/zinc/58/00/91/359580091.db2.gz ABWCILKBMCYZKM-SNVBAGLBSA-N 1 2 274.315 1.302 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+](C)Cc1ncnn1CC(F)F ZINC000278372274 359580093 /nfs/dbraw/zinc/58/00/93/359580093.db2.gz ABWCILKBMCYZKM-SNVBAGLBSA-N 1 2 274.315 1.302 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000331463538 360009434 /nfs/dbraw/zinc/00/94/34/360009434.db2.gz LBHUPGMAZFDISR-YRGRVCCFSA-N 1 2 279.384 1.246 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000331463538 360009439 /nfs/dbraw/zinc/00/94/39/360009439.db2.gz LBHUPGMAZFDISR-YRGRVCCFSA-N 1 2 279.384 1.246 20 30 CDEDLO CC[C@@H](C)[N@H+](CC(=O)OC)CC(=O)N(CC)C[C@@H](C)C#N ZINC000337257062 360053157 /nfs/dbraw/zinc/05/31/57/360053157.db2.gz UHBVECYSXNEFLC-QWHCGFSZSA-N 1 2 297.399 1.268 20 30 CDEDLO CC[C@@H](C)[N@@H+](CC(=O)OC)CC(=O)N(CC)C[C@@H](C)C#N ZINC000337257062 360053163 /nfs/dbraw/zinc/05/31/63/360053163.db2.gz UHBVECYSXNEFLC-QWHCGFSZSA-N 1 2 297.399 1.268 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+](CC(N)=O)C(C)C ZINC000130436678 360477092 /nfs/dbraw/zinc/47/70/92/360477092.db2.gz QEKUJPWKKRFUBP-UHFFFAOYSA-N 1 2 261.325 1.263 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+](CC(N)=O)C(C)C ZINC000130436678 360477097 /nfs/dbraw/zinc/47/70/97/360477097.db2.gz QEKUJPWKKRFUBP-UHFFFAOYSA-N 1 2 261.325 1.263 20 30 CDEDLO C=CCn1c(C2CC2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000337837432 360465362 /nfs/dbraw/zinc/46/53/62/360465362.db2.gz CVXCAQVSUMAQQU-UHFFFAOYSA-N 1 2 291.399 1.110 20 30 CDEDLO CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000128351395 360713209 /nfs/dbraw/zinc/71/32/09/360713209.db2.gz BLGCULMXXFFFMW-NSHDSACASA-N 1 2 274.324 1.445 20 30 CDEDLO CCN(C)C(=O)CC[N@H+](CCC#N)Cc1ccccn1 ZINC000130626315 360982120 /nfs/dbraw/zinc/98/21/20/360982120.db2.gz NCQDLHLCCXPHJX-UHFFFAOYSA-N 1 2 274.368 1.666 20 30 CDEDLO CCN(C)C(=O)CC[N@@H+](CCC#N)Cc1ccccn1 ZINC000130626315 360982126 /nfs/dbraw/zinc/98/21/26/360982126.db2.gz NCQDLHLCCXPHJX-UHFFFAOYSA-N 1 2 274.368 1.666 20 30 CDEDLO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ncn(C)n1 ZINC000398958584 361238816 /nfs/dbraw/zinc/23/88/16/361238816.db2.gz KLMJUJXHCTXCCQ-LLVKDONJSA-N 1 2 255.325 1.732 20 30 CDEDLO C=C(C)CN(C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433954471 361280427 /nfs/dbraw/zinc/28/04/27/361280427.db2.gz TYNMELBHIUAOEF-UHFFFAOYSA-N 1 2 267.373 1.069 20 30 CDEDLO CC#CC[NH+]1CCN(Cc2cc(F)ccc2OC)CC1 ZINC000158482730 361256032 /nfs/dbraw/zinc/25/60/32/361256032.db2.gz WZUGEROKUPDDLZ-UHFFFAOYSA-N 1 2 276.355 1.975 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000367585078 363993744 /nfs/dbraw/zinc/99/37/44/363993744.db2.gz LKPSJPZDGKTSFZ-TUKIKUTGSA-N 1 2 290.388 1.738 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000367585078 363993753 /nfs/dbraw/zinc/99/37/53/363993753.db2.gz LKPSJPZDGKTSFZ-TUKIKUTGSA-N 1 2 290.388 1.738 20 30 CDEDLO N#Cc1ccc(/C=C\C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000312177024 239426979 /nfs/dbraw/zinc/42/69/79/239426979.db2.gz ARFRZCVEOULKGD-WAYWQWQTSA-N 1 2 266.304 1.653 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N1CCc2c1cccc2C#N ZINC000581423048 363985525 /nfs/dbraw/zinc/98/55/25/363985525.db2.gz AJZHEOLYMCKMML-UHFFFAOYSA-N 1 2 280.331 1.814 20 30 CDEDLO CN1C[C@@H](C[N@H+](CCC#N)CC(C)(C)C)OC1=O ZINC000496839186 366854840 /nfs/dbraw/zinc/85/48/40/366854840.db2.gz XDZURZCVJRSMPZ-NSHDSACASA-N 1 2 253.346 1.699 20 30 CDEDLO CN1C[C@@H](C[N@@H+](CCC#N)CC(C)(C)C)OC1=O ZINC000496839186 366854848 /nfs/dbraw/zinc/85/48/48/366854848.db2.gz XDZURZCVJRSMPZ-NSHDSACASA-N 1 2 253.346 1.699 20 30 CDEDLO CC[C@H]1C[N@H+](CC(=O)N(CC)C[C@H](C)C#N)CCO1 ZINC000249722438 364541649 /nfs/dbraw/zinc/54/16/49/364541649.db2.gz NPDCPHOZJLACHG-OLZOCXBDSA-N 1 2 267.373 1.105 20 30 CDEDLO CC[C@H]1C[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)CCO1 ZINC000249722438 364541659 /nfs/dbraw/zinc/54/16/59/364541659.db2.gz NPDCPHOZJLACHG-OLZOCXBDSA-N 1 2 267.373 1.105 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)Nc1ccc(F)c(C#N)c1 ZINC000187071529 364707512 /nfs/dbraw/zinc/70/75/12/364707512.db2.gz LLSMQINCTZBJBD-UHFFFAOYSA-N 1 2 258.256 1.612 20 30 CDEDLO Cc1cc(C#N)cc(NC(=O)[C@H](c2c[nH+]cn2C)N(C)C)c1 ZINC000456966407 364996919 /nfs/dbraw/zinc/99/69/19/364996919.db2.gz NONMBAUCUFURFE-HNNXBMFYSA-N 1 2 297.362 1.842 20 30 CDEDLO C[C@@H]1C[C@]1(C#N)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000566660051 370784706 /nfs/dbraw/zinc/78/47/06/370784706.db2.gz DAZLBSKCKWSDIS-UXIGCNINSA-N 1 2 271.320 1.611 20 30 CDEDLO CCc1[nH+]c2ccccc2n1CC(=O)N(C)CC#N ZINC000170627262 365076088 /nfs/dbraw/zinc/07/60/88/365076088.db2.gz AAROHIXXOOFKBV-UHFFFAOYSA-N 1 2 256.309 1.581 20 30 CDEDLO CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000566975475 370852404 /nfs/dbraw/zinc/85/24/04/370852404.db2.gz CFPHERQSJBIZAT-XBFCOCLRSA-N 1 2 251.374 1.629 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000065682750 368307525 /nfs/dbraw/zinc/30/75/25/368307525.db2.gz DPLIJOVFIIBCBV-UHFFFAOYSA-N 1 2 288.782 1.739 20 30 CDEDLO C[N@H+](Cc1ccc(F)cc1C#N)[C@@]1(CO)CCOC1 ZINC000330800977 203252626 /nfs/dbraw/zinc/25/26/26/203252626.db2.gz IYQHWAZFSOHYMG-CQSZACIVSA-N 1 2 264.300 1.281 20 30 CDEDLO C[N@@H+](Cc1ccc(F)cc1C#N)[C@@]1(CO)CCOC1 ZINC000330800977 203252629 /nfs/dbraw/zinc/25/26/29/203252629.db2.gz IYQHWAZFSOHYMG-CQSZACIVSA-N 1 2 264.300 1.281 20 30 CDEDLO CC(F)(F)C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000564860543 370279105 /nfs/dbraw/zinc/27/91/05/370279105.db2.gz PXCVJRADYJDAEO-LBPRGKRZSA-N 1 2 284.306 1.737 20 30 CDEDLO C[C@@H](Oc1ccccc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000564872051 370282862 /nfs/dbraw/zinc/28/28/62/370282862.db2.gz KXLXMSBENNGNJA-DOMZBBRYSA-N 1 2 275.352 1.414 20 30 CDEDLO CCS(=O)(=O)C1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000565044199 370337105 /nfs/dbraw/zinc/33/71/05/370337105.db2.gz NRSWKNBWUZZOND-NSHDSACASA-N 1 2 258.387 1.578 20 30 CDEDLO CCCCO[C@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000567816938 371155884 /nfs/dbraw/zinc/15/58/84/371155884.db2.gz JQAXORRYYUGEBK-YPMHNXCESA-N 1 2 255.362 1.152 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccnc(C#N)c1)CCC2 ZINC000331714819 204097033 /nfs/dbraw/zinc/09/70/33/204097033.db2.gz DXXOXTXLAAOHQI-ZDUSSCGKSA-N 1 2 295.346 1.766 20 30 CDEDLO Cc1cc(C[NH2+]C[C@H](C#N)CCC#N)nc(N2CCCC2)n1 ZINC000578713257 372543353 /nfs/dbraw/zinc/54/33/53/372543353.db2.gz AIZWEDMNCCANDZ-AWEZNQCLSA-N 1 2 298.394 1.918 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000579556222 372593060 /nfs/dbraw/zinc/59/30/60/372593060.db2.gz UJFUOOLISZEGFE-KGLIPLIRSA-N 1 2 298.346 1.856 20 30 CDEDLO CCCCS[C@@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000578776231 372546517 /nfs/dbraw/zinc/54/65/17/372546517.db2.gz ZNSCBLOHSZFJIP-WCQYABFASA-N 1 2 271.430 1.868 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000178937540 372982853 /nfs/dbraw/zinc/98/28/53/372982853.db2.gz YZAULEBAGPTGNU-HNNXBMFYSA-N 1 2 274.339 1.778 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000178937540 372982859 /nfs/dbraw/zinc/98/28/59/372982859.db2.gz YZAULEBAGPTGNU-HNNXBMFYSA-N 1 2 274.339 1.778 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)c1F ZINC000360441320 374013509 /nfs/dbraw/zinc/01/35/09/374013509.db2.gz GHTDCZJMHGKECZ-UHFFFAOYSA-N 1 2 284.294 1.751 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCc3n[nH]c(=O)cc3C2)c1F ZINC000360441320 374013515 /nfs/dbraw/zinc/01/35/15/374013515.db2.gz GHTDCZJMHGKECZ-UHFFFAOYSA-N 1 2 284.294 1.751 20 30 CDEDLO COc1cc(C#N)ccc1NC(=O)NCc1[nH]cc[nH+]1 ZINC000547414359 374162662 /nfs/dbraw/zinc/16/26/62/374162662.db2.gz AEINSGVVJJNRAU-UHFFFAOYSA-N 1 2 271.280 1.612 20 30 CDEDLO CC1(C)C(=O)NCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000104073074 374167867 /nfs/dbraw/zinc/16/78/67/374167867.db2.gz CIIJIEMJEOCJRY-UHFFFAOYSA-N 1 2 273.336 1.147 20 30 CDEDLO CC1(C)C(=O)NCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000104073074 374167875 /nfs/dbraw/zinc/16/78/75/374167875.db2.gz CIIJIEMJEOCJRY-UHFFFAOYSA-N 1 2 273.336 1.147 20 30 CDEDLO CC1(C)C(=O)NCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000104073639 374168051 /nfs/dbraw/zinc/16/80/51/374168051.db2.gz FNAVRZHYUDCMJR-UHFFFAOYSA-N 1 2 273.336 1.147 20 30 CDEDLO CC1(C)C(=O)NCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000104073639 374168056 /nfs/dbraw/zinc/16/80/56/374168056.db2.gz FNAVRZHYUDCMJR-UHFFFAOYSA-N 1 2 273.336 1.147 20 30 CDEDLO N#Cc1csc(C[NH2+]CC(=O)Nc2ccc(F)cc2)n1 ZINC000352839221 374370550 /nfs/dbraw/zinc/37/05/50/374370550.db2.gz JBJAMEXBICLPRL-UHFFFAOYSA-N 1 2 290.323 1.882 20 30 CDEDLO N#Cc1ccc(OCC[N@@H+]2CCc3cn[nH]c3C2)cc1 ZINC000611008739 374377467 /nfs/dbraw/zinc/37/74/67/374377467.db2.gz IQSWPVXALMTGPB-UHFFFAOYSA-N 1 2 268.320 1.718 20 30 CDEDLO N#Cc1ccc(OCC[N@H+]2CCc3cn[nH]c3C2)cc1 ZINC000611008739 374377478 /nfs/dbraw/zinc/37/74/78/374377478.db2.gz IQSWPVXALMTGPB-UHFFFAOYSA-N 1 2 268.320 1.718 20 30 CDEDLO N#Cc1ccc(OCC[N@@H+]2CCc3c[nH]nc3C2)cc1 ZINC000611008739 374377488 /nfs/dbraw/zinc/37/74/88/374377488.db2.gz IQSWPVXALMTGPB-UHFFFAOYSA-N 1 2 268.320 1.718 20 30 CDEDLO N#Cc1ccc(OCC[N@H+]2CCc3c[nH]nc3C2)cc1 ZINC000611008739 374377495 /nfs/dbraw/zinc/37/74/95/374377495.db2.gz IQSWPVXALMTGPB-UHFFFAOYSA-N 1 2 268.320 1.718 20 30 CDEDLO NC(=[NH2+])Nc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1 ZINC000026496132 374433360 /nfs/dbraw/zinc/43/33/60/374433360.db2.gz KQYNORUWQYPMED-UHFFFAOYSA-N 1 2 289.320 1.046 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNc1nc(C)cc(C#N)n1)CCC2 ZINC000376401832 374554215 /nfs/dbraw/zinc/55/42/15/374554215.db2.gz DNXQURWBNHXPHA-LBPRGKRZSA-N 1 2 282.351 1.573 20 30 CDEDLO C[C@H]1CC[N@H+](CCOc2ccc(C#N)cc2)CC[S@@]1=O ZINC000277186436 374775966 /nfs/dbraw/zinc/77/59/66/374775966.db2.gz LQPATVNEAUABMW-RBZFPXEDSA-N 1 2 292.404 1.780 20 30 CDEDLO C[C@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)CC[S@@]1=O ZINC000277186436 374775975 /nfs/dbraw/zinc/77/59/75/374775975.db2.gz LQPATVNEAUABMW-RBZFPXEDSA-N 1 2 292.404 1.780 20 30 CDEDLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC[S@](=O)C1 ZINC000277449054 374788524 /nfs/dbraw/zinc/78/85/24/374788524.db2.gz LVIZPTUVMQTYNQ-URFZZILJSA-N 1 2 292.404 1.292 20 30 CDEDLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC[S@](=O)C1 ZINC000277449054 374788529 /nfs/dbraw/zinc/78/85/29/374788529.db2.gz LVIZPTUVMQTYNQ-URFZZILJSA-N 1 2 292.404 1.292 20 30 CDEDLO N#CCCC[N@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000125937434 374975219 /nfs/dbraw/zinc/97/52/19/374975219.db2.gz WCRWQISBFSYCAL-UHFFFAOYSA-N 1 2 275.327 1.774 20 30 CDEDLO N#CCCC[N@@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000125937434 374975226 /nfs/dbraw/zinc/97/52/26/374975226.db2.gz WCRWQISBFSYCAL-UHFFFAOYSA-N 1 2 275.327 1.774 20 30 CDEDLO Cc1ccc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)o1 ZINC000471810740 375055253 /nfs/dbraw/zinc/05/52/53/375055253.db2.gz LYOSOUFBULSAED-UHFFFAOYSA-N 1 2 299.378 1.824 20 30 CDEDLO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000335697570 375145791 /nfs/dbraw/zinc/14/57/91/375145791.db2.gz NTZATICRNJWZKO-SGTLLEGYSA-N 1 2 262.378 1.901 20 30 CDEDLO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000335697570 375145798 /nfs/dbraw/zinc/14/57/98/375145798.db2.gz NTZATICRNJWZKO-SGTLLEGYSA-N 1 2 262.378 1.901 20 30 CDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[S@@](=O)C1 ZINC000335697405 375146077 /nfs/dbraw/zinc/14/60/77/375146077.db2.gz PJBZKXDSNNKZAF-KPZWWZAWSA-N 1 2 262.378 1.759 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[S@@](=O)C1 ZINC000335697405 375146084 /nfs/dbraw/zinc/14/60/84/375146084.db2.gz PJBZKXDSNNKZAF-KPZWWZAWSA-N 1 2 262.378 1.759 20 30 CDEDLO CC#CCNc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000129882940 375242730 /nfs/dbraw/zinc/24/27/30/375242730.db2.gz IKBYSGMBGAHWKT-UHFFFAOYSA-N 1 2 265.280 1.041 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCOCC12CCC2 ZINC000135536231 375713095 /nfs/dbraw/zinc/71/30/95/375713095.db2.gz MRVCLZDGRBNKKN-UHFFFAOYSA-N 1 2 264.369 1.442 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCOCC12CCC2 ZINC000135536231 375713100 /nfs/dbraw/zinc/71/31/00/375713100.db2.gz MRVCLZDGRBNKKN-UHFFFAOYSA-N 1 2 264.369 1.442 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000353635542 375738126 /nfs/dbraw/zinc/73/81/26/375738126.db2.gz BGIYKXCKTRZYJY-LLVKDONJSA-N 1 2 298.433 1.876 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000353635542 375738135 /nfs/dbraw/zinc/73/81/35/375738135.db2.gz BGIYKXCKTRZYJY-LLVKDONJSA-N 1 2 298.433 1.876 20 30 CDEDLO C=C(C)CN(CC)C(=O)CSc1nc(N)cc(C)[nH+]1 ZINC000048397728 375860250 /nfs/dbraw/zinc/86/02/50/375860250.db2.gz ZWYYSICJNGQLOM-UHFFFAOYSA-N 1 2 280.397 1.884 20 30 CDEDLO C[C@@H]1CCC[C@@H]1NC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000328839683 375981331 /nfs/dbraw/zinc/98/13/31/375981331.db2.gz UIRSDXFYBIHBLQ-WOPDTQHZSA-N 1 2 262.357 1.890 20 30 CDEDLO C[C@@H]1CCC[C@@H]1[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000328839683 375981333 /nfs/dbraw/zinc/98/13/33/375981333.db2.gz UIRSDXFYBIHBLQ-WOPDTQHZSA-N 1 2 262.357 1.890 20 30 CDEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@H](C)CC(=O)N1 ZINC000328794587 375974073 /nfs/dbraw/zinc/97/40/73/375974073.db2.gz BMBXLHLEWXWIDC-XQQFMLRXSA-N 1 2 296.415 1.334 20 30 CDEDLO O=C(NCc1nc2cccnc2[nH]1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000328747576 375942269 /nfs/dbraw/zinc/94/22/69/375942269.db2.gz LRXZCFRNFQUVJW-SNVBAGLBSA-N 1 2 296.334 1.874 20 30 CDEDLO CC1(C)C[N@H+](CCNC(=O)NC[C@@H]2CCCCO2)CCO1 ZINC000328760050 375948302 /nfs/dbraw/zinc/94/83/02/375948302.db2.gz XFKWAWCJHBAVJX-ZDUSSCGKSA-N 1 2 299.415 1.170 20 30 CDEDLO CC1(C)C[N@@H+](CCNC(=O)NC[C@@H]2CCCCO2)CCO1 ZINC000328760050 375948310 /nfs/dbraw/zinc/94/83/10/375948310.db2.gz XFKWAWCJHBAVJX-ZDUSSCGKSA-N 1 2 299.415 1.170 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420944839 376486393 /nfs/dbraw/zinc/48/63/93/376486393.db2.gz SKWRJQDVKKTSMN-KGLIPLIRSA-N 1 2 298.427 1.271 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420944839 376486397 /nfs/dbraw/zinc/48/63/97/376486397.db2.gz SKWRJQDVKKTSMN-KGLIPLIRSA-N 1 2 298.427 1.271 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000421042077 376562232 /nfs/dbraw/zinc/56/22/32/376562232.db2.gz PIHAERJAMYKINT-AWEZNQCLSA-N 1 2 293.411 1.059 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000421042077 376562237 /nfs/dbraw/zinc/56/22/37/376562237.db2.gz PIHAERJAMYKINT-AWEZNQCLSA-N 1 2 293.411 1.059 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC)C[C@H](C)C#N ZINC000066424870 376656681 /nfs/dbraw/zinc/65/66/81/376656681.db2.gz JCLIYWVERUQQJF-OLZOCXBDSA-N 1 2 264.373 1.476 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC)C[C@H](C)C#N ZINC000066424870 376656692 /nfs/dbraw/zinc/65/66/92/376656692.db2.gz JCLIYWVERUQQJF-OLZOCXBDSA-N 1 2 264.373 1.476 20 30 CDEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)NC(=O)NC ZINC000072692921 376804916 /nfs/dbraw/zinc/80/49/16/376804916.db2.gz WEUICZGGQOTQNM-UHFFFAOYSA-N 1 2 268.361 1.094 20 30 CDEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)NC(=O)NC ZINC000072692921 376804922 /nfs/dbraw/zinc/80/49/22/376804922.db2.gz WEUICZGGQOTQNM-UHFFFAOYSA-N 1 2 268.361 1.094 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)c2nc(C)cc(=O)[nH]2)C1=O ZINC000281480578 378006735 /nfs/dbraw/zinc/00/67/35/378006735.db2.gz WPHJZSODPNKGLN-RYUDHWBXSA-N 1 2 290.367 1.270 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)c2nc(C)cc(=O)[nH]2)C1=O ZINC000281480578 378006739 /nfs/dbraw/zinc/00/67/39/378006739.db2.gz WPHJZSODPNKGLN-RYUDHWBXSA-N 1 2 290.367 1.270 20 30 CDEDLO C#C[C@H](NC(=O)NCCc1cn2ccccc2[nH+]1)C(C)C ZINC000282286704 378043055 /nfs/dbraw/zinc/04/30/55/378043055.db2.gz QWJAUVJQYRTONY-AWEZNQCLSA-N 1 2 284.363 1.834 20 30 CDEDLO CC#CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000282661920 378066212 /nfs/dbraw/zinc/06/62/12/378066212.db2.gz IEVJHWOBBWSUOM-UHFFFAOYSA-N 1 2 267.332 1.226 20 30 CDEDLO C#CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000286196649 378198371 /nfs/dbraw/zinc/19/83/71/378198371.db2.gz ALMHRGYXQVTDLR-INIZCTEOSA-N 1 2 299.418 1.284 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2c[nH]c3nccnc23)n1 ZINC000291003729 378425701 /nfs/dbraw/zinc/42/57/01/378425701.db2.gz BCJFELXHQMFDDW-UHFFFAOYSA-N 1 2 294.362 1.810 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2c[nH]c3nccnc23)n1 ZINC000291003729 378425711 /nfs/dbraw/zinc/42/57/11/378425711.db2.gz BCJFELXHQMFDDW-UHFFFAOYSA-N 1 2 294.362 1.810 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000293361098 378570769 /nfs/dbraw/zinc/57/07/69/378570769.db2.gz ZYWIRUUQADGYHY-UHFFFAOYSA-N 1 2 273.380 1.324 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000293361098 378570771 /nfs/dbraw/zinc/57/07/71/378570771.db2.gz ZYWIRUUQADGYHY-UHFFFAOYSA-N 1 2 273.380 1.324 20 30 CDEDLO C=CCCCC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000185385170 378666706 /nfs/dbraw/zinc/66/67/06/378666706.db2.gz AVVXFVLIWDKMCJ-UHFFFAOYSA-N 1 2 274.368 1.790 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCc1[nH+]ccn1CC)OCC ZINC000295590338 378689016 /nfs/dbraw/zinc/68/90/16/378689016.db2.gz HTTIFIWKWRRSDP-GFCCVEGCSA-N 1 2 265.357 1.891 20 30 CDEDLO C=CCCCS(=O)(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000295850091 378709776 /nfs/dbraw/zinc/70/97/76/378709776.db2.gz DPETUMNHKFWVAL-LLVKDONJSA-N 1 2 271.386 1.992 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1CC ZINC000343487736 378892600 /nfs/dbraw/zinc/89/26/00/378892600.db2.gz JDGIKFYFQCVGLW-OLZOCXBDSA-N 1 2 254.374 1.568 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000343487736 378892603 /nfs/dbraw/zinc/89/26/03/378892603.db2.gz JDGIKFYFQCVGLW-OLZOCXBDSA-N 1 2 254.374 1.568 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3ccncc3F)CC2)nc1 ZINC000449009390 250653049 /nfs/dbraw/zinc/65/30/49/250653049.db2.gz HVWRFWWUCZKSRL-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO C#C[C@H](NC(=O)NCCNc1cccc[nH+]1)C(C)C ZINC000281027237 195074918 /nfs/dbraw/zinc/07/49/18/195074918.db2.gz HIGYLTCOIMKDPW-LBPRGKRZSA-N 1 2 260.341 1.451 20 30 CDEDLO C#C[C@@H](NC(=O)NCc1cn2ccccc2[nH+]1)C(C)C ZINC000281171520 195135274 /nfs/dbraw/zinc/13/52/74/195135274.db2.gz XSQQOANQEBCHLH-CYBMUJFWSA-N 1 2 270.336 1.791 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)NC(C)(C)CC)C1=O ZINC000281231073 195159387 /nfs/dbraw/zinc/15/93/87/195159387.db2.gz FKUBLSOMJHDIJT-CHWSQXEVSA-N 1 2 295.427 1.398 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)NC(C)(C)CC)C1=O ZINC000281231073 195159389 /nfs/dbraw/zinc/15/93/89/195159389.db2.gz FKUBLSOMJHDIJT-CHWSQXEVSA-N 1 2 295.427 1.398 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](CC)C(=O)OC(C)(C)C)C1=O ZINC000281319124 195194649 /nfs/dbraw/zinc/19/46/49/195194649.db2.gz LBDXOEIKMWCDSY-STQMWFEESA-N 1 2 296.411 1.825 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](CC)C(=O)OC(C)(C)C)C1=O ZINC000281319124 195194651 /nfs/dbraw/zinc/19/46/51/195194651.db2.gz LBDXOEIKMWCDSY-STQMWFEESA-N 1 2 296.411 1.825 20 30 CDEDLO Cc1ccc(C)c(NC(=O)[C@@H](C)O[NH+]=C(N)CCO)c1 ZINC000136071781 390940896 /nfs/dbraw/zinc/94/08/96/390940896.db2.gz MMQXNZCEYCDMSY-LLVKDONJSA-N 1 2 279.340 1.302 20 30 CDEDLO COc1ccc(-c2nc(CO[NH+]=C(N)CCO)co2)cc1 ZINC000136065622 390940994 /nfs/dbraw/zinc/94/09/94/390940994.db2.gz DYOPHFGVWAGEKM-UHFFFAOYSA-N 1 2 291.307 1.521 20 30 CDEDLO Cc1cc(NC[C@H](O)COCC(C)C)c(C#N)c[nH+]1 ZINC000425203651 390896241 /nfs/dbraw/zinc/89/62/41/390896241.db2.gz FRBJXBUSKNPVMK-ZDUSSCGKSA-N 1 2 263.341 1.129 20 30 CDEDLO C#CCNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000151145561 390918094 /nfs/dbraw/zinc/91/80/94/390918094.db2.gz 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C=CCN1CC[C@H]([NH2+][C@H](C)c2nc(C(C)(C)C)no2)C1=O ZINC000330378543 391408683 /nfs/dbraw/zinc/40/86/83/391408683.db2.gz GCCSZLFLBMVSDP-MNOVXSKESA-N 1 2 292.383 1.805 20 30 CDEDLO COC(=O)c1ccc(C[NH+]2CCC(F)(C#N)CC2)[nH]1 ZINC000348707666 391450048 /nfs/dbraw/zinc/45/00/48/391450048.db2.gz JOYNHJRDYFIDIF-UHFFFAOYSA-N 1 2 265.288 1.629 20 30 CDEDLO COC(=O)c1n[nH]c2c1C[N@@H+]([C@H](C)CCC#N)CC2 ZINC000411790330 391526235 /nfs/dbraw/zinc/52/62/35/391526235.db2.gz JESZPOSBTDOKCI-SECBINFHSA-N 1 2 262.313 1.247 20 30 CDEDLO COC(=O)c1n[nH]c2c1C[N@H+]([C@H](C)CCC#N)CC2 ZINC000411790330 391526240 /nfs/dbraw/zinc/52/62/40/391526240.db2.gz JESZPOSBTDOKCI-SECBINFHSA-N 1 2 262.313 1.247 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1ccon1 ZINC000349247037 391539661 /nfs/dbraw/zinc/53/96/61/391539661.db2.gz UIGLUADPDWFICE-ZJUUUORDSA-N 1 2 250.302 1.086 20 30 CDEDLO C[C@H]([NH2+][C@@H](C)c1ccon1)C(=O)N(C)CCC#N ZINC000349247035 391539806 /nfs/dbraw/zinc/53/98/06/391539806.db2.gz UIGLUADPDWFICE-UWVGGRQHSA-N 1 2 250.302 1.086 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000104688905 391555248 /nfs/dbraw/zinc/55/52/48/391555248.db2.gz BWDLAQPJNXXFEP-UHFFFAOYSA-N 1 2 284.157 1.900 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000104688905 391555254 /nfs/dbraw/zinc/55/52/54/391555254.db2.gz BWDLAQPJNXXFEP-UHFFFAOYSA-N 1 2 284.157 1.900 20 30 CDEDLO C=CC[NH+](CC=C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000114723859 391584728 /nfs/dbraw/zinc/58/47/28/391584728.db2.gz DTGOLZMEMMAOQQ-UHFFFAOYSA-N 1 2 275.308 1.868 20 30 CDEDLO CCOC(=O)[C@H]([NH2+]CCCC#N)[C@@H]1CCCOC1 ZINC000359804749 391616622 /nfs/dbraw/zinc/61/66/22/391616622.db2.gz IJPGBUPDPDOLSX-VXGBXAGGSA-N 1 2 254.330 1.238 20 30 CDEDLO CC#CCCCC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000362299035 391718110 /nfs/dbraw/zinc/71/81/10/391718110.db2.gz FLQXUIRZAFCNJB-UHFFFAOYSA-N 1 2 259.353 1.957 20 30 CDEDLO Cc1cc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c(=O)n(C)c1 ZINC000329013715 391745065 /nfs/dbraw/zinc/74/50/65/391745065.db2.gz JEIALIFQQFLXJR-LLVKDONJSA-N 1 2 286.335 1.741 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000413323663 391752827 /nfs/dbraw/zinc/75/28/27/391752827.db2.gz TWSQTHHOYSYZRO-AXFHLTTASA-N 1 2 264.329 1.025 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000413323663 391752832 /nfs/dbraw/zinc/75/28/32/391752832.db2.gz TWSQTHHOYSYZRO-AXFHLTTASA-N 1 2 264.329 1.025 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CCC[C@H](O)[C@H]2C(=O)OC)cc1 ZINC000289589519 391757674 /nfs/dbraw/zinc/75/76/74/391757674.db2.gz IKDLYRWXEJGNPB-GJZGRUSLSA-N 1 2 273.332 1.166 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CCC[C@H](O)[C@H]2C(=O)OC)cc1 ZINC000289589519 391757679 /nfs/dbraw/zinc/75/76/79/391757679.db2.gz IKDLYRWXEJGNPB-GJZGRUSLSA-N 1 2 273.332 1.166 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CCC[C@@H](O)[C@@H]2C(=O)OC)cc1 ZINC000289589521 391757705 /nfs/dbraw/zinc/75/77/05/391757705.db2.gz IKDLYRWXEJGNPB-HUUCEWRRSA-N 1 2 273.332 1.166 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CCC[C@@H](O)[C@@H]2C(=O)OC)cc1 ZINC000289589521 391757709 /nfs/dbraw/zinc/75/77/09/391757709.db2.gz IKDLYRWXEJGNPB-HUUCEWRRSA-N 1 2 273.332 1.166 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)N1CCC[C@H]1C1CCOCC1 ZINC000329729765 391760085 /nfs/dbraw/zinc/76/00/85/391760085.db2.gz PHXSQDCXTIJOEL-AWEZNQCLSA-N 1 2 292.383 1.725 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)N1CCC2(C1)CCOCC2 ZINC000329740936 391768651 /nfs/dbraw/zinc/76/86/51/391768651.db2.gz VQHMQZWSGVGWED-UHFFFAOYSA-N 1 2 278.356 1.337 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)C[C@H]1CCOC1 ZINC000329794047 391779628 /nfs/dbraw/zinc/77/96/28/391779628.db2.gz VVNJGOXXEXBCTE-GFCCVEGCSA-N 1 2 270.373 1.480 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)C[C@H]1CCOC1 ZINC000329794047 391779631 /nfs/dbraw/zinc/77/96/31/391779631.db2.gz VVNJGOXXEXBCTE-GFCCVEGCSA-N 1 2 270.373 1.480 20 30 CDEDLO Cc1cccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000330298529 391817736 /nfs/dbraw/zinc/81/77/36/391817736.db2.gz HLGFYJQOOQYVGB-LLVKDONJSA-N 1 2 256.309 1.906 20 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/nfs/dbraw/zinc/65/28/88/397652888.db2.gz YYJNNVQDSKLPTA-IONNQARKSA-N 1 2 270.358 1.195 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CCSC[C@@H]2CO)c1 ZINC000335806354 151035913 /nfs/dbraw/zinc/03/59/13/151035913.db2.gz HSLXXLILJWJGBO-LBPRGKRZSA-N 1 2 266.341 1.607 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCSC[C@@H]2CO)c1 ZINC000335806354 151035914 /nfs/dbraw/zinc/03/59/14/151035914.db2.gz HSLXXLILJWJGBO-LBPRGKRZSA-N 1 2 266.341 1.607 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000335957595 151148790 /nfs/dbraw/zinc/14/87/90/151148790.db2.gz KWDDWRYGBNFSHV-LLVKDONJSA-N 1 2 255.281 1.587 20 30 CDEDLO N#Cc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)[nH]1 ZINC000343345120 152131666 /nfs/dbraw/zinc/13/16/66/152131666.db2.gz DGPRAFPNMATXPA-UHFFFAOYSA-N 1 2 292.302 1.778 20 30 CDEDLO C=CC[C@H]1CCCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000656543423 413412530 /nfs/dbraw/zinc/41/25/30/413412530.db2.gz DMQDIACKLIIRKG-ZDUSSCGKSA-N 1 2 262.357 1.881 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(O)CC1 ZINC000010053385 170396969 /nfs/dbraw/zinc/39/69/69/170396969.db2.gz IHZIMUBACUSYHB-LLVKDONJSA-N 1 2 273.336 1.342 20 30 CDEDLO C[NH+](C)[C@H](CNS(=O)(=O)CCCCC#N)c1ccco1 ZINC000104106813 412122104 /nfs/dbraw/zinc/12/21/04/412122104.db2.gz ZBYNHTHSRNQFSF-GFCCVEGCSA-N 1 2 299.396 1.496 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCC1CC1)Cc1ccccc1 ZINC000285729311 196381427 /nfs/dbraw/zinc/38/14/27/196381427.db2.gz PUUXVYYANNEQKS-UHFFFAOYSA-N 1 2 256.349 1.648 20 30 CDEDLO C#CC[N@H+](CC(=O)NCC1CC1)Cc1ccccc1 ZINC000285729311 196381428 /nfs/dbraw/zinc/38/14/28/196381428.db2.gz PUUXVYYANNEQKS-UHFFFAOYSA-N 1 2 256.349 1.648 20 30 CDEDLO CC#CC[C@H](CO)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000655161435 414134860 /nfs/dbraw/zinc/13/48/60/414134860.db2.gz WMPFJPYGNWXPLX-CYBMUJFWSA-N 1 2 271.320 1.147 20 30 CDEDLO C=CC[N@@H+](Cc1nc(CC(=O)NC)no1)C(C)(C)C ZINC000661756040 414337653 /nfs/dbraw/zinc/33/76/53/414337653.db2.gz ANUIGHJOYPPMIH-UHFFFAOYSA-N 1 2 266.345 1.145 20 30 CDEDLO C=CC[N@H+](Cc1nc(CC(=O)NC)no1)C(C)(C)C ZINC000661756040 414337657 /nfs/dbraw/zinc/33/76/57/414337657.db2.gz ANUIGHJOYPPMIH-UHFFFAOYSA-N 1 2 266.345 1.145 20 30 CDEDLO N#Cc1ccc(/C=C/C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000070991169 176019720 /nfs/dbraw/zinc/01/97/20/176019720.db2.gz CLCRUWHNDQYGCQ-AATRIKPKSA-N 1 2 252.277 1.611 20 30 CDEDLO O=C(C[N@@H+]1CCc2n[nH]c(=O)cc2C1)NC1CCCCC1 ZINC000330150715 228050444 /nfs/dbraw/zinc/05/04/44/228050444.db2.gz NHQYEQRIXUTLRO-UHFFFAOYSA-N 1 2 290.367 1.830 20 30 CDEDLO O=C(C[N@H+]1CCc2n[nH]c(=O)cc2C1)NC1CCCCC1 ZINC000330150715 228050446 /nfs/dbraw/zinc/05/04/46/228050446.db2.gz NHQYEQRIXUTLRO-UHFFFAOYSA-N 1 2 290.367 1.830 20 30 CDEDLO COCC1=CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330249774 228079403 /nfs/dbraw/zinc/07/94/03/228079403.db2.gz GUFPWXJXMWWRNW-ZDUSSCGKSA-N 1 2 290.367 1.390 20 30 CDEDLO C[C@@H]1C[N@H+](CCNc2cccc(F)c2C#N)CCO1 ZINC000523463733 260225418 /nfs/dbraw/zinc/22/54/18/260225418.db2.gz GVNSEJPMVIXPPJ-LLVKDONJSA-N 1 2 263.316 1.830 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNc2cccc(F)c2C#N)CCO1 ZINC000523463733 260225420 /nfs/dbraw/zinc/22/54/20/260225420.db2.gz GVNSEJPMVIXPPJ-LLVKDONJSA-N 1 2 263.316 1.830 20 30 CDEDLO N#CCC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000132799836 260894905 /nfs/dbraw/zinc/89/49/05/260894905.db2.gz SKPOQISGRWMYTF-UHFFFAOYSA-N 1 2 264.354 1.981 20 30 CDEDLO N#CCC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000153595538 261080990 /nfs/dbraw/zinc/08/09/90/261080990.db2.gz QPOKXWSHULGHKY-UHFFFAOYSA-N 1 2 272.352 1.992 20 30 CDEDLO C#CCN(CC)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000490711560 261190970 /nfs/dbraw/zinc/19/09/70/261190970.db2.gz AAFAXEYOGNRVQB-UHFFFAOYSA-N 1 2 298.346 1.302 20 30 CDEDLO NC(=O)[C@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177124342 261335978 /nfs/dbraw/zinc/33/59/78/261335978.db2.gz RFQAEAKCQJKGOO-CYBMUJFWSA-N 1 2 262.740 1.641 20 30 CDEDLO NC(=O)[C@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177124342 261335980 /nfs/dbraw/zinc/33/59/80/261335980.db2.gz RFQAEAKCQJKGOO-CYBMUJFWSA-N 1 2 262.740 1.641 20 30 CDEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)NCCn1cc[nH+]c1 ZINC000184341500 262017462 /nfs/dbraw/zinc/01/74/62/262017462.db2.gz OJWJBEHMQNNWAD-LBPRGKRZSA-N 1 2 299.334 1.996 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000363915367 262028558 /nfs/dbraw/zinc/02/85/58/262028558.db2.gz ZLLWPMNHQWOSLN-UHFFFAOYSA-N 1 2 292.358 1.035 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000363915367 262028559 /nfs/dbraw/zinc/02/85/59/262028559.db2.gz ZLLWPMNHQWOSLN-UHFFFAOYSA-N 1 2 292.358 1.035 20 30 CDEDLO C[C@H](C#N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000311716422 262339858 /nfs/dbraw/zinc/33/98/58/262339858.db2.gz WZHSALGDDCLOGL-HIFRSBDPSA-N 1 2 287.363 1.163 20 30 CDEDLO C[C@H](C#N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000311716422 262339859 /nfs/dbraw/zinc/33/98/59/262339859.db2.gz WZHSALGDDCLOGL-HIFRSBDPSA-N 1 2 287.363 1.163 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1ccc(S(C)(=O)=O)cc1 ZINC000336808002 262396214 /nfs/dbraw/zinc/39/62/14/262396214.db2.gz NYZFWECSRLDURX-UHFFFAOYSA-N 1 2 283.393 1.725 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1ccc(S(C)(=O)=O)cc1 ZINC000336808002 262396216 /nfs/dbraw/zinc/39/62/16/262396216.db2.gz NYZFWECSRLDURX-UHFFFAOYSA-N 1 2 283.393 1.725 20 30 CDEDLO CC(C)(C#N)CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000278295109 263046666 /nfs/dbraw/zinc/04/66/66/263046666.db2.gz CYPUDACHPLDIER-LBPRGKRZSA-N 1 2 272.352 1.716 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000280847223 263064655 /nfs/dbraw/zinc/06/46/55/263064655.db2.gz KBGDZBABLRKSHK-AWEZNQCLSA-N 1 2 293.330 1.290 20 30 CDEDLO C=CCC(C)(C)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000340364247 263119454 /nfs/dbraw/zinc/11/94/54/263119454.db2.gz AXHCZJSLWGSTBX-ZDUSSCGKSA-N 1 2 266.385 1.568 20 30 CDEDLO C=CCC(C)(C)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000340364247 263119455 /nfs/dbraw/zinc/11/94/55/263119455.db2.gz AXHCZJSLWGSTBX-ZDUSSCGKSA-N 1 2 266.385 1.568 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000121548625 263295037 /nfs/dbraw/zinc/29/50/37/263295037.db2.gz MLKSVAPJVYZNQA-UHFFFAOYSA-N 1 2 275.308 1.602 20 30 CDEDLO C=CC[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000121548625 263295038 /nfs/dbraw/zinc/29/50/38/263295038.db2.gz MLKSVAPJVYZNQA-UHFFFAOYSA-N 1 2 275.308 1.602 20 30 CDEDLO CC(C)[C@@H](C#N)NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000342091271 263391510 /nfs/dbraw/zinc/39/15/10/263391510.db2.gz JYTHSAAOVPERHG-GHMZBOCLSA-N 1 2 255.387 1.088 20 30 CDEDLO CC(C)N1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1=O ZINC000328959173 263908887 /nfs/dbraw/zinc/90/88/87/263908887.db2.gz OWCRNVJCYBJRIO-VXGBXAGGSA-N 1 2 290.367 1.411 20 30 CDEDLO CCOCCNC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000331175810 264154233 /nfs/dbraw/zinc/15/42/33/264154233.db2.gz FFFMLMPUURLEHV-YPMHNXCESA-N 1 2 296.371 1.180 20 30 CDEDLO CC(C)[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000346536691 265112526 /nfs/dbraw/zinc/11/25/26/265112526.db2.gz QWPGOLIIPMBDOK-STQMWFEESA-N 1 2 279.384 1.294 20 30 CDEDLO CC(C)[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000346536691 265112528 /nfs/dbraw/zinc/11/25/28/265112528.db2.gz QWPGOLIIPMBDOK-STQMWFEESA-N 1 2 279.384 1.294 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@H](c2nncn2C)C(C)C)nn1 ZINC000653671554 424410217 /nfs/dbraw/zinc/41/02/17/424410217.db2.gz JISPWYGRBSFXID-ZDUSSCGKSA-N 1 2 289.387 1.470 20 30 CDEDLO C[N@@H+]1CCc2ncnc(N3CCC(C#N)CC3)c2C1 ZINC000356776673 266173886 /nfs/dbraw/zinc/17/38/86/266173886.db2.gz PGGXMASPGLGVMB-UHFFFAOYSA-N 1 2 257.341 1.204 20 30 CDEDLO C[N@H+]1CCc2ncnc(N3CCC(C#N)CC3)c2C1 ZINC000356776673 266173889 /nfs/dbraw/zinc/17/38/89/266173889.db2.gz PGGXMASPGLGVMB-UHFFFAOYSA-N 1 2 257.341 1.204 20 30 CDEDLO CCCCCCCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000362919905 267061291 /nfs/dbraw/zinc/06/12/91/267061291.db2.gz AXIJNHWRDCGBAX-UHFFFAOYSA-N 1 2 283.416 1.367 20 30 CDEDLO CCCCCCCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000362919905 267061294 /nfs/dbraw/zinc/06/12/94/267061294.db2.gz AXIJNHWRDCGBAX-UHFFFAOYSA-N 1 2 283.416 1.367 20 30 CDEDLO C[C@@H]1OCC[C@@]12C[N@H+](C[C@H](C#N)CCC#N)C[C@@H](C)O2 ZINC000369301105 267233061 /nfs/dbraw/zinc/23/30/61/267233061.db2.gz AFVLEYOBLWAYJZ-CBBWQLFWSA-N 1 2 277.368 1.698 20 30 CDEDLO C[C@@H]1OCC[C@@]12C[N@@H+](C[C@H](C#N)CCC#N)C[C@@H](C)O2 ZINC000369301105 267233063 /nfs/dbraw/zinc/23/30/63/267233063.db2.gz AFVLEYOBLWAYJZ-CBBWQLFWSA-N 1 2 277.368 1.698 20 30 CDEDLO Cc1cc(NCCCC(=O)NC2CC2)c(C#N)c[nH+]1 ZINC000399432938 267300366 /nfs/dbraw/zinc/30/03/66/267300366.db2.gz JKYDHXAUGZHBHO-UHFFFAOYSA-N 1 2 258.325 1.154 20 30 CDEDLO C=CCNC(=O)[C@@H](C)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000372994396 267625354 /nfs/dbraw/zinc/62/53/54/267625354.db2.gz DAJXCALHZQQSEX-GFCCVEGCSA-N 1 2 276.384 1.342 20 30 CDEDLO N#Cc1cc(NCc2ccccc2-n2cc[nH+]c2)ncn1 ZINC000525892933 268173596 /nfs/dbraw/zinc/17/35/96/268173596.db2.gz XFRBQHGXPVXHPO-UHFFFAOYSA-N 1 2 276.303 1.568 20 30 CDEDLO Cc1cc(N2CCN3C(=O)CC[C@H]3C2)c(C#N)c[nH+]1 ZINC000333340005 278711795 /nfs/dbraw/zinc/71/17/95/278711795.db2.gz XVXBNJRAULDWBI-LBPRGKRZSA-N 1 2 256.309 1.073 20 30 CDEDLO Cc1nc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)sc1C ZINC000329966414 279095250 /nfs/dbraw/zinc/09/52/50/279095250.db2.gz VOKUVZVRKHLCBG-GHMZBOCLSA-N 1 2 296.396 1.320 20 30 CDEDLO Cc1nc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)sc1C ZINC000329966414 279095251 /nfs/dbraw/zinc/09/52/51/279095251.db2.gz VOKUVZVRKHLCBG-GHMZBOCLSA-N 1 2 296.396 1.320 20 30 CDEDLO N#Cc1ccc(C(=O)NCCc2cn3ccccc3[nH+]2)nc1 ZINC000107441656 279301126 /nfs/dbraw/zinc/30/11/26/279301126.db2.gz FXVGYWDQDRGOIP-UHFFFAOYSA-N 1 2 291.314 1.573 20 30 CDEDLO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000274946712 282028124 /nfs/dbraw/zinc/02/81/24/282028124.db2.gz AZUREKTYGLTYQB-MRVPVSSYSA-N 1 2 274.328 1.258 20 30 CDEDLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(C#N)cn1 ZINC000555669612 290232947 /nfs/dbraw/zinc/23/29/47/290232947.db2.gz DJKIMICJSJKQRX-UHFFFAOYSA-N 1 2 260.341 1.253 20 30 CDEDLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000555669612 290232949 /nfs/dbraw/zinc/23/29/49/290232949.db2.gz DJKIMICJSJKQRX-UHFFFAOYSA-N 1 2 260.341 1.253 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNc1cncc(C#N)n1)CCC2 ZINC000570705208 294293254 /nfs/dbraw/zinc/29/32/54/294293254.db2.gz SYBXYQMKXVSZPR-NSHDSACASA-N 1 2 268.324 1.843 20 30 CDEDLO Cc1cc(N2CC[S@](=O)C(C)(C)CC2)c(C#N)c[nH+]1 ZINC000333328204 301343120 /nfs/dbraw/zinc/34/31/20/301343120.db2.gz VRNNKLSZHUXRSH-IBGZPJMESA-N 1 2 277.393 1.999 20 30 CDEDLO COCCN(C)c1ccc(/C=C/C(=O)c2cnccn2)c[nH+]1 ZINC000191303852 327872960 /nfs/dbraw/zinc/87/29/60/327872960.db2.gz BROCDOOOJBVBKI-HWKANZROSA-N 1 2 298.346 1.850 20 30 CDEDLO C[C@@H](CC(=O)NCC(=O)c1ccc(C#N)cc1)n1cc[nH+]c1 ZINC000566742554 316669884 /nfs/dbraw/zinc/66/98/84/316669884.db2.gz BQPCFUCCMICZOK-LBPRGKRZSA-N 1 2 296.330 1.705 20 30 CDEDLO Cc1ncsc1CCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000563621585 328077928 /nfs/dbraw/zinc/07/79/28/328077928.db2.gz AIPLPKUMFNBAKQ-CYBMUJFWSA-N 1 2 280.397 1.344 20 30 CDEDLO CCc1ccc(O)c(C(=O)NCC[NH+]2CCOCC2)c1 ZINC000330607454 328463353 /nfs/dbraw/zinc/46/33/53/328463353.db2.gz JWEKYNAASMPNQR-UHFFFAOYSA-N 1 2 278.352 1.591 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)CC(C)(C)O1 ZINC000582666998 325019901 /nfs/dbraw/zinc/01/99/01/325019901.db2.gz QHHBGGGMTQTLOM-LLVKDONJSA-N 1 2 285.351 1.600 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CC(C)(C)O1 ZINC000582666998 325019903 /nfs/dbraw/zinc/01/99/03/325019903.db2.gz QHHBGGGMTQTLOM-LLVKDONJSA-N 1 2 285.351 1.600 20 30 CDEDLO C[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)[NH+]1CCSCC1 ZINC000153392519 330643320 /nfs/dbraw/zinc/64/33/20/330643320.db2.gz MODQQZOAHMMOGW-QWRGUYRKSA-N 1 2 269.414 1.478 20 30 CDEDLO Cn1ncc2c1nc[nH+]c2N1CCC(CCC#N)CC1 ZINC000568756110 327014481 /nfs/dbraw/zinc/01/44/81/327014481.db2.gz JMZDAGBAXZUADM-UHFFFAOYSA-N 1 2 270.340 1.883 20 30 CDEDLO CC[C@@H]1CCC[C@H]1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000584116897 327042324 /nfs/dbraw/zinc/04/23/24/327042324.db2.gz OGUOBFYUOAKAEJ-BZPMIXESSA-N 1 2 251.374 1.773 20 30 CDEDLO CC(C)c1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)on1 ZINC000569461321 327180979 /nfs/dbraw/zinc/18/09/79/327180979.db2.gz QJAOKDVYXHGYMX-CYBMUJFWSA-N 1 2 264.329 1.372 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000047993039 327276557 /nfs/dbraw/zinc/27/65/57/327276557.db2.gz KHUPZXUMNAKXFU-WCQYABFASA-N 1 2 269.414 1.478 20 30 CDEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCCO)c2)n1 ZINC000111997759 327283400 /nfs/dbraw/zinc/28/34/00/327283400.db2.gz DMGFNSQXOZPCTP-UHFFFAOYSA-N 1 2 288.351 1.177 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CC1(C#N)CC1)C1CC1 ZINC000560482388 327313465 /nfs/dbraw/zinc/31/34/65/327313465.db2.gz JAPSNVSMSATYNP-NSHDSACASA-N 1 2 294.380 1.094 20 30 CDEDLO COC1C[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000560607738 327330688 /nfs/dbraw/zinc/33/06/88/327330688.db2.gz SJSMYUJNSCYZEP-UHFFFAOYSA-N 1 2 297.362 1.689 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000188440250 329368883 /nfs/dbraw/zinc/36/88/83/329368883.db2.gz ZTBZSIPGKKDNAJ-HNNXBMFYSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000188440250 329368884 /nfs/dbraw/zinc/36/88/84/329368884.db2.gz ZTBZSIPGKKDNAJ-HNNXBMFYSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CCCn1cc(C(=O)NCCNc2cccc[nH+]2)nn1 ZINC000425146738 329608536 /nfs/dbraw/zinc/60/85/36/329608536.db2.gz QIYWKKUWJBPQHU-UHFFFAOYSA-N 1 2 286.339 1.091 20 30 CDEDLO C#CCNC(=O)c1ccc(N(C)CCCn2cc[nH+]c2)nc1 ZINC000268964582 330067024 /nfs/dbraw/zinc/06/70/24/330067024.db2.gz MHGFDJIXIYXJAQ-UHFFFAOYSA-N 1 2 297.362 1.168 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cccc(Br)n1 ZINC000272464197 330086028 /nfs/dbraw/zinc/08/60/28/330086028.db2.gz YXPWCIFCQFTNKE-UHFFFAOYSA-N 1 2 263.138 1.913 20 30 CDEDLO C=CCn1cc(C[NH2+][C@H](C)c2cncc(F)c2)nn1 ZINC000424175163 330315266 /nfs/dbraw/zinc/31/52/66/330315266.db2.gz SROGESVQCRFDFY-SNVBAGLBSA-N 1 2 261.304 1.849 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCOC[C@H]2C2CC2)CCCCC1 ZINC000090008915 330389942 /nfs/dbraw/zinc/38/99/42/330389942.db2.gz DKILCMFUNHHFCU-AWEZNQCLSA-N 1 2 291.395 1.440 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCOC[C@H]2C2CC2)CCCCC1 ZINC000090008915 330389943 /nfs/dbraw/zinc/38/99/43/330389943.db2.gz DKILCMFUNHHFCU-AWEZNQCLSA-N 1 2 291.395 1.440 20 30 CDEDLO N#C[C@H]1CN(Cc2c[nH+]cn2Cc2ccccc2)CCO1 ZINC000445801093 330837198 /nfs/dbraw/zinc/83/71/98/330837198.db2.gz DSWYDZRBUMLVNQ-INIZCTEOSA-N 1 2 282.347 1.656 20 30 CDEDLO C=CC(C)(C)CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000454534493 331148155 /nfs/dbraw/zinc/14/81/55/331148155.db2.gz FDMMBHGYDULBJI-OLZOCXBDSA-N 1 2 283.416 1.607 20 30 CDEDLO C=CC(C)(C)CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000454844508 331154859 /nfs/dbraw/zinc/15/48/59/331154859.db2.gz WQKXGEWLQGKFQW-NSHDSACASA-N 1 2 262.357 1.709 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)NCc1c[nH+]ccc1OC ZINC000458809616 331260676 /nfs/dbraw/zinc/26/06/76/331260676.db2.gz JUDOMAIFVVTJFO-LBPRGKRZSA-N 1 2 279.340 1.217 20 30 CDEDLO C=CCCCS(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000489654638 332063137 /nfs/dbraw/zinc/06/31/37/332063137.db2.gz BMZIXGAIIZQWCW-LLVKDONJSA-N 1 2 269.370 1.084 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000490715829 332108027 /nfs/dbraw/zinc/10/80/27/332108027.db2.gz ZLUKMZFTJPDDQX-GJZGRUSLSA-N 1 2 260.381 1.449 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000490715829 332108029 /nfs/dbraw/zinc/10/80/29/332108029.db2.gz ZLUKMZFTJPDDQX-GJZGRUSLSA-N 1 2 260.381 1.449 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CN(C)c2cccc(C)c2)CC1 ZINC000490740982 332111432 /nfs/dbraw/zinc/11/14/32/332111432.db2.gz PHHJXPSRCAKOGP-UHFFFAOYSA-N 1 2 285.391 1.209 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)c1c(C)[nH]c(C(=O)OCC)c1C ZINC000490866658 332122299 /nfs/dbraw/zinc/12/22/99/332122299.db2.gz RSRVIFYORBOWCR-UHFFFAOYSA-N 1 2 290.363 1.946 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)c1c(C)[nH]c(C(=O)OCC)c1C ZINC000490866658 332122301 /nfs/dbraw/zinc/12/23/01/332122301.db2.gz RSRVIFYORBOWCR-UHFFFAOYSA-N 1 2 290.363 1.946 20 30 CDEDLO C#CC[N@@H+](CCCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 ZINC000490985989 332136336 /nfs/dbraw/zinc/13/63/36/332136336.db2.gz PDRASFYOIMKTEY-OAHLLOKOSA-N 1 2 292.404 1.137 20 30 CDEDLO C#CC[N@H+](CCCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 ZINC000490985989 332136338 /nfs/dbraw/zinc/13/63/38/332136338.db2.gz PDRASFYOIMKTEY-OAHLLOKOSA-N 1 2 292.404 1.137 20 30 CDEDLO C#C[C@@H](CC)NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000491145710 332156162 /nfs/dbraw/zinc/15/61/62/332156162.db2.gz LTQMBZGXKJCHJL-ZDUSSCGKSA-N 1 2 283.335 1.860 20 30 CDEDLO C#CCN(C(=O)NCc1c[nH+]cn1C)C1CCCCC1 ZINC000491414530 332207480 /nfs/dbraw/zinc/20/74/80/332207480.db2.gz CUSHDVXXHBPVOR-UHFFFAOYSA-N 1 2 274.368 1.898 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1C(C)=O ZINC000491421139 332208695 /nfs/dbraw/zinc/20/86/95/332208695.db2.gz ZILFKHWXZVVJEE-NSHDSACASA-N 1 2 258.321 1.781 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1C(C)=O ZINC000491421139 332208696 /nfs/dbraw/zinc/20/86/96/332208696.db2.gz ZILFKHWXZVVJEE-NSHDSACASA-N 1 2 258.321 1.781 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000491453876 332214750 /nfs/dbraw/zinc/21/47/50/332214750.db2.gz UGCBYSLOXAHLNI-NSHDSACASA-N 1 2 269.308 1.194 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000491615263 332242897 /nfs/dbraw/zinc/24/28/97/332242897.db2.gz CEJVELHTFQMLOJ-ZFWWWQNUSA-N 1 2 284.359 1.515 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000491615263 332242899 /nfs/dbraw/zinc/24/28/99/332242899.db2.gz CEJVELHTFQMLOJ-ZFWWWQNUSA-N 1 2 284.359 1.515 20 30 CDEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NC(=O)NCC ZINC000491617128 332244105 /nfs/dbraw/zinc/24/41/05/332244105.db2.gz JWSBKWXRSSREGK-CYBMUJFWSA-N 1 2 287.363 1.356 20 30 CDEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NC(=O)NCC ZINC000491617128 332244106 /nfs/dbraw/zinc/24/41/06/332244106.db2.gz JWSBKWXRSSREGK-CYBMUJFWSA-N 1 2 287.363 1.356 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1OCC ZINC000491655292 332267348 /nfs/dbraw/zinc/26/73/48/332267348.db2.gz QTYBDBHFJFNNQP-LBPRGKRZSA-N 1 2 260.337 1.977 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1OCC ZINC000491655292 332267350 /nfs/dbraw/zinc/26/73/50/332267350.db2.gz QTYBDBHFJFNNQP-LBPRGKRZSA-N 1 2 260.337 1.977 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@H](O)COc1cc(C)cc(C)c1 ZINC000491664512 332273535 /nfs/dbraw/zinc/27/35/35/332273535.db2.gz HOXAHGNYQCRDIF-HOTGVXAUSA-N 1 2 289.375 1.377 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](O)COc1cc(C)cc(C)c1 ZINC000491664512 332273536 /nfs/dbraw/zinc/27/35/36/332273536.db2.gz HOXAHGNYQCRDIF-HOTGVXAUSA-N 1 2 289.375 1.377 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2CC=C)CC1 ZINC000491672144 332278892 /nfs/dbraw/zinc/27/88/92/332278892.db2.gz RKPCZALVZLRVFR-UHFFFAOYSA-N 1 2 299.422 1.877 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000491673756 332279889 /nfs/dbraw/zinc/27/98/89/332279889.db2.gz JGYCZYASTSYPRH-NSHDSACASA-N 1 2 273.336 1.425 20 30 CDEDLO C#C[C@@H](CC)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000491675126 332280785 /nfs/dbraw/zinc/28/07/85/332280785.db2.gz LOTCJNQAMUKQDD-GXTWGEPZSA-N 1 2 273.336 1.656 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@@H](c2ccccc2)CC1=O ZINC000491692445 332289146 /nfs/dbraw/zinc/28/91/46/332289146.db2.gz HLDGGJHNBWJUSW-HIFRSBDPSA-N 1 2 256.349 1.914 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@@H](c2ccccc2)CC1=O ZINC000491692445 332289147 /nfs/dbraw/zinc/28/91/47/332289147.db2.gz HLDGGJHNBWJUSW-HIFRSBDPSA-N 1 2 256.349 1.914 20 30 CDEDLO C#C[C@@H](CC)NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000491697061 332292261 /nfs/dbraw/zinc/29/22/61/332292261.db2.gz GFDQRRDTRUYWRK-LBPRGKRZSA-N 1 2 260.341 1.359 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000491771606 332338156 /nfs/dbraw/zinc/33/81/56/332338156.db2.gz PBBVJUSIBHMFSC-GFCCVEGCSA-N 1 2 299.374 1.704 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000491771606 332338157 /nfs/dbraw/zinc/33/81/57/332338157.db2.gz PBBVJUSIBHMFSC-GFCCVEGCSA-N 1 2 299.374 1.704 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCOc1ccc(OC)cc1 ZINC000491780763 332345050 /nfs/dbraw/zinc/34/50/50/332345050.db2.gz LBBSKLPZKWYKGY-CYBMUJFWSA-N 1 2 261.321 1.408 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCOc1ccc(OC)cc1 ZINC000491780763 332345051 /nfs/dbraw/zinc/34/50/51/332345051.db2.gz LBBSKLPZKWYKGY-CYBMUJFWSA-N 1 2 261.321 1.408 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCOC[C@@H]2C#C)cc1 ZINC000491781882 332345765 /nfs/dbraw/zinc/34/57/65/332345765.db2.gz LCNOADVFWCVPKI-HNNXBMFYSA-N 1 2 255.317 1.533 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCOC[C@@H]2C#C)cc1 ZINC000491781882 332345766 /nfs/dbraw/zinc/34/57/66/332345766.db2.gz LCNOADVFWCVPKI-HNNXBMFYSA-N 1 2 255.317 1.533 20 30 CDEDLO C#C[C@@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)C(C)(C)C ZINC000491782165 332345800 /nfs/dbraw/zinc/34/58/00/332345800.db2.gz OKXMIEPFLCPFOQ-CHWSQXEVSA-N 1 2 288.395 1.967 20 30 CDEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@]1(C#N)CC1(C)C ZINC000493363312 332437186 /nfs/dbraw/zinc/43/71/86/332437186.db2.gz BYBRQMGJWMTFOV-GXMNPTEKSA-N 1 2 258.325 1.725 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1c(F)cccc1Cl ZINC000575852526 333185236 /nfs/dbraw/zinc/18/52/36/333185236.db2.gz SDANNXGKWUXOKC-AWEZNQCLSA-N 1 2 297.761 1.982 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)Nc1cc(C)[nH+]cc1C ZINC000539257452 333663148 /nfs/dbraw/zinc/66/31/48/333663148.db2.gz MRLFFUGBAHZRTO-GFCCVEGCSA-N 1 2 263.341 1.426 20 30 CDEDLO CC1CC(C#N)(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000548310744 334150305 /nfs/dbraw/zinc/15/03/05/334150305.db2.gz GVNPZKYNYKHCPL-CVZZAPKMSA-N 1 2 258.325 1.254 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)C(C)C ZINC001754474043 1159224038 /nfs/dbraw/zinc/22/40/38/1159224038.db2.gz VWZXJXBXLGSLJV-AWEZNQCLSA-N 1 2 293.411 1.034 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)C(C)C ZINC001754474043 1159224043 /nfs/dbraw/zinc/22/40/43/1159224043.db2.gz VWZXJXBXLGSLJV-AWEZNQCLSA-N 1 2 293.411 1.034 20 30 CDEDLO Cc1sccc1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000567171002 334687055 /nfs/dbraw/zinc/68/70/55/334687055.db2.gz RVMPAGZDEIFYLZ-ZDUSSCGKSA-N 1 2 265.382 1.559 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc2c(c1)COC2 ZINC000576588085 335223004 /nfs/dbraw/zinc/22/30/04/335223004.db2.gz QFZVJWMKLSXCFG-OAHLLOKOSA-N 1 2 273.336 1.290 20 30 CDEDLO N#CCC[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000577741470 335395289 /nfs/dbraw/zinc/39/52/89/335395289.db2.gz MMDCQYXGTJJBGS-UHFFFAOYSA-N 1 2 287.772 1.122 20 30 CDEDLO C[C@H](Cc1cccc(F)c1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000578135755 335520534 /nfs/dbraw/zinc/52/05/34/335520534.db2.gz PPCVPEKOTNDKQC-MLGOLLRUSA-N 1 2 291.370 1.964 20 30 CDEDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C1CC1 ZINC000581126888 336011815 /nfs/dbraw/zinc/01/18/15/336011815.db2.gz HHVIGPKVKZYKBG-YPMHNXCESA-N 1 2 257.341 1.904 20 30 CDEDLO C#CC[N@H+](C)CCCN=c1nc(C(C)(C)C)[nH]s1 ZINC000385473925 336147851 /nfs/dbraw/zinc/14/78/51/336147851.db2.gz DABJJCMVGNIDAT-UHFFFAOYSA-N 1 2 266.414 1.625 20 30 CDEDLO C#CC[N@@H+](C)CCCN=c1nc(C(C)(C)C)[nH]s1 ZINC000385473925 336147852 /nfs/dbraw/zinc/14/78/52/336147852.db2.gz DABJJCMVGNIDAT-UHFFFAOYSA-N 1 2 266.414 1.625 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C(C)C)C1 ZINC001149173739 1159564264 /nfs/dbraw/zinc/56/42/64/1159564264.db2.gz AEJQEZFSUURMBI-GFCCVEGCSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C(C)C)C1 ZINC001149173739 1159564266 /nfs/dbraw/zinc/56/42/66/1159564266.db2.gz AEJQEZFSUURMBI-GFCCVEGCSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C1CC(C(=O)N2CC[C@H]3C[N@@H+](COCCOC)C[C@H]32)C1 ZINC001270591665 1160113531 /nfs/dbraw/zinc/11/35/31/1160113531.db2.gz DORFPFGTTPPDBE-DZGCQCFKSA-N 1 2 294.395 1.106 20 30 CDEDLO C=C1CC(C(=O)N2CC[C@H]3C[N@H+](COCCOC)C[C@H]32)C1 ZINC001270591665 1160113535 /nfs/dbraw/zinc/11/35/35/1160113535.db2.gz DORFPFGTTPPDBE-DZGCQCFKSA-N 1 2 294.395 1.106 20 30 CDEDLO COCC#CC[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000677478150 482679990 /nfs/dbraw/zinc/67/99/90/482679990.db2.gz PCDGGHKSRUMVDY-JXMROGBWSA-N 1 2 284.403 1.967 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1oc(C)c2c1c(=O)[nH]nc2C ZINC000681696513 483023321 /nfs/dbraw/zinc/02/33/21/483023321.db2.gz DACYUYVRKRWOLU-UHFFFAOYSA-N 1 2 290.323 1.602 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1oc(C)c2c1c(=O)[nH]nc2C ZINC000681696513 483023325 /nfs/dbraw/zinc/02/33/25/483023325.db2.gz DACYUYVRKRWOLU-UHFFFAOYSA-N 1 2 290.323 1.602 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000682158862 483149791 /nfs/dbraw/zinc/14/97/91/483149791.db2.gz QMNOHLFMSBSDAJ-INIZCTEOSA-N 1 2 290.363 1.900 20 30 CDEDLO C=CCCOCC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000675256981 483265017 /nfs/dbraw/zinc/26/50/17/483265017.db2.gz DXJXHIUCGOEVEJ-KBPBESRZSA-N 1 2 277.368 1.885 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@H]1C ZINC001088642309 1160671637 /nfs/dbraw/zinc/67/16/37/1160671637.db2.gz XTSGVAZTPGZBCW-ZJUUUORDSA-N 1 2 298.774 1.369 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@H]1C ZINC001088642309 1160671642 /nfs/dbraw/zinc/67/16/42/1160671642.db2.gz XTSGVAZTPGZBCW-ZJUUUORDSA-N 1 2 298.774 1.369 20 30 CDEDLO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C#CC(C)(C)C)o1 ZINC001126916533 1160762745 /nfs/dbraw/zinc/76/27/45/1160762745.db2.gz WJWRMICUPWZWMH-SNVBAGLBSA-N 1 2 278.356 1.194 20 30 CDEDLO Cc1nc(N[C@@H]2C[C@@H](C)N(C(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001123225475 1161171890 /nfs/dbraw/zinc/17/18/90/1161171890.db2.gz YJASAGPJOSNBOR-TZMCWYRMSA-N 1 2 286.379 1.846 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC001078096814 1161433368 /nfs/dbraw/zinc/43/33/68/1161433368.db2.gz PALWWEHGMSVEPA-NXEZZACHSA-N 1 2 298.289 1.015 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC001078096814 1161433371 /nfs/dbraw/zinc/43/33/71/1161433371.db2.gz PALWWEHGMSVEPA-NXEZZACHSA-N 1 2 298.289 1.015 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[NH2+]Cc1cnsn1 ZINC001752891639 1184953162 /nfs/dbraw/zinc/95/31/62/1184953162.db2.gz OCAJEFYCRJFRIB-SECBINFHSA-N 1 2 268.386 1.345 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](NC(C)=O)C2CCCC2)CC1 ZINC001113083574 1162095895 /nfs/dbraw/zinc/09/58/95/1162095895.db2.gz HPVOTEWCMCCKNM-HNNXBMFYSA-N 1 2 293.411 1.012 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)C2(C3CC3)CCC2)CC1 ZINC001113159173 1162117125 /nfs/dbraw/zinc/11/71/25/1162117125.db2.gz ZVFRQKCYISHOBR-UHFFFAOYSA-N 1 2 292.423 1.914 20 30 CDEDLO CC(=NNc1[nH+]ccn1C)c1ccc2c(c1)OCO2 ZINC000790299990 1162143767 /nfs/dbraw/zinc/14/37/67/1162143767.db2.gz NSXXRTJFIQGWNI-UHFFFAOYSA-N 1 2 258.281 1.985 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@]2(CCOC2)O1 ZINC000330152934 534449438 /nfs/dbraw/zinc/44/94/38/534449438.db2.gz MJJVMJKZULJWSV-RISCZKNCSA-N 1 2 268.357 1.233 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@]2(CCOC2)O1 ZINC000330152934 534449444 /nfs/dbraw/zinc/44/94/44/534449444.db2.gz MJJVMJKZULJWSV-RISCZKNCSA-N 1 2 268.357 1.233 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)NC(=O)CC(C)(C)C)CC1 ZINC001113525555 1162206271 /nfs/dbraw/zinc/20/62/71/1162206271.db2.gz YAKNKSSMOODBQK-CYBMUJFWSA-N 1 2 295.427 1.258 20 30 CDEDLO COC(=O)C(C)(C)[NH2+]CCOc1ccc(C#N)cc1OC ZINC000077269032 522804069 /nfs/dbraw/zinc/80/40/69/522804069.db2.gz FMXOOPAZVVQNRH-UHFFFAOYSA-N 1 2 292.335 1.487 20 30 CDEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccco2)C(N)=O)cc1 ZINC000115594881 526688455 /nfs/dbraw/zinc/68/84/55/526688455.db2.gz RLXMXGFDWONMQS-ZDUSSCGKSA-N 1 2 255.277 1.467 20 30 CDEDLO C=CCCCCCN(C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000352275860 527124721 /nfs/dbraw/zinc/12/47/21/527124721.db2.gz PSRDPMBVYJBRRO-CQSZACIVSA-N 1 2 268.401 1.912 20 30 CDEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NC1(C#N)CCC1 ZINC000347045956 527715568 /nfs/dbraw/zinc/71/55/68/527715568.db2.gz GBHXSEATXIMNQX-UHFFFAOYSA-N 1 2 276.384 1.811 20 30 CDEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NC1(C#N)CCC1 ZINC000347045956 527715574 /nfs/dbraw/zinc/71/55/74/527715574.db2.gz GBHXSEATXIMNQX-UHFFFAOYSA-N 1 2 276.384 1.811 20 30 CDEDLO CCC[C@@H]1C[C@H]1NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330245395 527849164 /nfs/dbraw/zinc/84/91/64/527849164.db2.gz DRSQBAZUECDDGD-IJLUTSLNSA-N 1 2 262.357 1.890 20 30 CDEDLO CCC[C@@H]1C[C@H]1[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330245395 527849169 /nfs/dbraw/zinc/84/91/69/527849169.db2.gz DRSQBAZUECDDGD-IJLUTSLNSA-N 1 2 262.357 1.890 20 30 CDEDLO CCN(C[C@@H]1CCCO1)C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330283949 528673350 /nfs/dbraw/zinc/67/33/50/528673350.db2.gz WUSPVQLCRIOJNE-STQMWFEESA-N 1 2 292.383 1.613 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000347390251 528851641 /nfs/dbraw/zinc/85/16/41/528851641.db2.gz SFHUFCRGTAOKQS-CHWSQXEVSA-N 1 2 255.337 1.475 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000347390251 528851643 /nfs/dbraw/zinc/85/16/43/528851643.db2.gz SFHUFCRGTAOKQS-CHWSQXEVSA-N 1 2 255.337 1.475 20 30 CDEDLO CC[N@@H+](Cc1cnn(CCOC)c1)C[C@H](C)C#N ZINC000352101631 528878612 /nfs/dbraw/zinc/87/86/12/528878612.db2.gz BTZJQXKUXMEZPP-GFCCVEGCSA-N 1 2 250.346 1.511 20 30 CDEDLO CC[N@H+](Cc1cnn(CCOC)c1)C[C@H](C)C#N ZINC000352101631 528878617 /nfs/dbraw/zinc/87/86/17/528878617.db2.gz BTZJQXKUXMEZPP-GFCCVEGCSA-N 1 2 250.346 1.511 20 30 CDEDLO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191539674 535765451 /nfs/dbraw/zinc/76/54/51/535765451.db2.gz CYQSFJYGROHSGO-OAHLLOKOSA-N 1 2 274.368 1.387 20 30 CDEDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191539674 535765453 /nfs/dbraw/zinc/76/54/53/535765453.db2.gz CYQSFJYGROHSGO-OAHLLOKOSA-N 1 2 274.368 1.387 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CC2(C)C)C1 ZINC000328750757 538378983 /nfs/dbraw/zinc/37/89/83/538378983.db2.gz CBCBNANUVCPJFC-GHMZBOCLSA-N 1 2 262.357 1.922 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCCOCC1 ZINC000329291983 538557058 /nfs/dbraw/zinc/55/70/58/538557058.db2.gz RCPXZBVKSLWYBN-GFCCVEGCSA-N 1 2 280.372 1.736 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCCOCC1 ZINC000329291983 538557064 /nfs/dbraw/zinc/55/70/64/538557064.db2.gz RCPXZBVKSLWYBN-GFCCVEGCSA-N 1 2 280.372 1.736 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)C[C@@H]2OC(=O)c3ccccc32)CC1 ZINC000744425605 574446340 /nfs/dbraw/zinc/44/63/40/574446340.db2.gz VEGBLZLTNSTRLD-HNNXBMFYSA-N 1 2 298.342 1.066 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)Cc1cnc(C)s1 ZINC000730278178 574908665 /nfs/dbraw/zinc/90/86/65/574908665.db2.gz IPOBBMCYRMHZIH-ZDUSSCGKSA-N 1 2 277.393 1.508 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1cnc(C)s1 ZINC000730278178 574908667 /nfs/dbraw/zinc/90/86/67/574908667.db2.gz IPOBBMCYRMHZIH-ZDUSSCGKSA-N 1 2 277.393 1.508 20 30 CDEDLO CC1(CC/[NH+]=C/c2ccc(O)c(O)c2O)OCCO1 ZINC000758813559 574918430 /nfs/dbraw/zinc/91/84/30/574918430.db2.gz ABFRZQTYPXHBOD-RIYZIHGNSA-N 1 2 267.281 1.375 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@H](C)c1nc(C)sc1C ZINC000393875851 575093039 /nfs/dbraw/zinc/09/30/39/575093039.db2.gz FNSKFVMOCHZLAF-MRVPVSSYSA-N 1 2 253.371 1.713 20 30 CDEDLO C#CC[NH+]1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000732667966 575093486 /nfs/dbraw/zinc/09/34/86/575093486.db2.gz VBQSGESPERCPQC-OAHLLOKOSA-N 1 2 278.783 1.624 20 30 CDEDLO C#CCN1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000732667966 575093487 /nfs/dbraw/zinc/09/34/87/575093487.db2.gz VBQSGESPERCPQC-OAHLLOKOSA-N 1 2 278.783 1.624 20 30 CDEDLO Cc1ccc(CCCN=Nc2nccn(C)c2=O)c[nH+]1 ZINC000774394194 575202531 /nfs/dbraw/zinc/20/25/31/575202531.db2.gz QEWDUBOIPGXRLS-UHFFFAOYSA-N 1 2 271.324 1.514 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000774913715 575251278 /nfs/dbraw/zinc/25/12/78/575251278.db2.gz OYQJYOZAFYEGNG-OAHLLOKOSA-N 1 2 276.311 1.954 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000774913715 575251279 /nfs/dbraw/zinc/25/12/79/575251279.db2.gz OYQJYOZAFYEGNG-OAHLLOKOSA-N 1 2 276.311 1.954 20 30 CDEDLO CC(=NN=Cc1cccc2[nH+]ccn21)c1cnccn1 ZINC000771101599 575548783 /nfs/dbraw/zinc/54/87/83/575548783.db2.gz VLAMAVPCQKMXGQ-UHFFFAOYSA-N 1 2 264.292 1.967 20 30 CDEDLO N#Cc1c(Cl)nsc1-n1c[nH+]c(CCCO)c1 ZINC000771200875 575556611 /nfs/dbraw/zinc/55/66/11/575556611.db2.gz UVWHFKDVUJHERX-UHFFFAOYSA-N 1 2 268.729 1.779 20 30 CDEDLO C#CC[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000772315430 575684364 /nfs/dbraw/zinc/68/43/64/575684364.db2.gz UAGUKCBNQQWQBQ-NWDGAFQWSA-N 1 2 252.358 1.949 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000772315430 575684366 /nfs/dbraw/zinc/68/43/66/575684366.db2.gz UAGUKCBNQQWQBQ-NWDGAFQWSA-N 1 2 252.358 1.949 20 30 CDEDLO C#C[C@@H](C)NC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000773613422 575830243 /nfs/dbraw/zinc/83/02/43/575830243.db2.gz MGEYMKPTQXCJQK-GFCCVEGCSA-N 1 2 270.336 1.506 20 30 CDEDLO CON=CC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000773737753 575837128 /nfs/dbraw/zinc/83/71/28/575837128.db2.gz UHHXMGUZAYUXEK-ZDUSSCGKSA-N 1 2 290.298 1.397 20 30 CDEDLO C=CCN1CC(=O)N(CCn2c(C)[nH+]c3ccccc32)C1=O ZINC000760948111 576528276 /nfs/dbraw/zinc/52/82/76/576528276.db2.gz DJSBOVYYKFIGBG-UHFFFAOYSA-N 1 2 298.346 1.795 20 30 CDEDLO C[S@@](=O)CC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000741749902 576570927 /nfs/dbraw/zinc/57/09/27/576570927.db2.gz TXZIAOYXKIWLFQ-HXUWFJFHSA-N 1 2 295.383 1.198 20 30 CDEDLO c1cn(-c2ccc(N=NCC[C@H]3CCOC3)nn2)c[nH+]1 ZINC000761839823 576596717 /nfs/dbraw/zinc/59/67/17/576596717.db2.gz WCRRARCYXCTDBE-NSHDSACASA-N 1 2 272.312 1.487 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ccc3nc(C)sc3c2)CC1 ZINC000761884721 576603592 /nfs/dbraw/zinc/60/35/92/576603592.db2.gz MFKNLIFJNJBENL-UHFFFAOYSA-N 1 2 299.399 1.996 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)nc(C)n2C ZINC000742946638 576621268 /nfs/dbraw/zinc/62/12/68/576621268.db2.gz UAPUCDORINELQO-INIZCTEOSA-N 1 2 296.374 1.918 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)nc(C)n2C ZINC000742946638 576621269 /nfs/dbraw/zinc/62/12/69/576621269.db2.gz UAPUCDORINELQO-INIZCTEOSA-N 1 2 296.374 1.918 20 30 CDEDLO C#CCNC(=O)C[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000762928476 576694469 /nfs/dbraw/zinc/69/44/69/576694469.db2.gz SOIKVKHGNAUXMX-UHFFFAOYSA-N 1 2 268.719 1.660 20 30 CDEDLO C#CCNC(=O)C[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000762928476 576694471 /nfs/dbraw/zinc/69/44/71/576694471.db2.gz SOIKVKHGNAUXMX-UHFFFAOYSA-N 1 2 268.719 1.660 20 30 CDEDLO Cn1c[nH+]cc1COC(=O)Cc1ccc(OCC#N)cc1 ZINC000747781889 576884111 /nfs/dbraw/zinc/88/41/11/576884111.db2.gz COFAHNBRPXOTFV-UHFFFAOYSA-N 1 2 285.303 1.608 20 30 CDEDLO Cc1cc(C(N)=[NH+]OC[C@H]2CCOC2)ccc1F ZINC000747824202 576885666 /nfs/dbraw/zinc/88/56/66/576885666.db2.gz GWQZMHHXMBEEIT-JTQLQIEISA-N 1 2 252.289 1.808 20 30 CDEDLO C=C(Br)CN1CC[NH+](C(C)(C)CO)CC1 ZINC000749322634 576943218 /nfs/dbraw/zinc/94/32/18/576943218.db2.gz BLXOMCBECNDOPK-UHFFFAOYSA-N 1 2 277.206 1.284 20 30 CDEDLO C(=[NH+]Nc1ccccn1)c1cnc(N2CCOCC2)s1 ZINC000755519894 576948105 /nfs/dbraw/zinc/94/81/05/576948105.db2.gz RHHGLFLKDYERKL-UHFFFAOYSA-N 1 2 289.364 1.821 20 30 CDEDLO CC(C)C[N@H+](CCC#N)CC(=O)NC[C@@H]1CCCO1 ZINC000755673610 576954738 /nfs/dbraw/zinc/95/47/38/576954738.db2.gz YWTZMAMKXQLNEX-ZDUSSCGKSA-N 1 2 267.373 1.153 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)CC(=O)NC[C@@H]1CCCO1 ZINC000755673610 576954739 /nfs/dbraw/zinc/95/47/39/576954739.db2.gz YWTZMAMKXQLNEX-ZDUSSCGKSA-N 1 2 267.373 1.153 20 30 CDEDLO CC(C)C[N@H+](CCC#N)CC(=O)NC[C@H]1CCCO1 ZINC000755673533 576954785 /nfs/dbraw/zinc/95/47/85/576954785.db2.gz YWTZMAMKXQLNEX-CYBMUJFWSA-N 1 2 267.373 1.153 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)CC(=O)NC[C@H]1CCCO1 ZINC000755673533 576954787 /nfs/dbraw/zinc/95/47/87/576954787.db2.gz YWTZMAMKXQLNEX-CYBMUJFWSA-N 1 2 267.373 1.153 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)C[C@H](OC)C2 ZINC000752066536 577085867 /nfs/dbraw/zinc/08/58/67/577085867.db2.gz OVWYHGRGVXHFDC-SJORKVTESA-N 1 2 298.386 1.836 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)C[C@H](OC)C2 ZINC000752066536 577085871 /nfs/dbraw/zinc/08/58/71/577085871.db2.gz OVWYHGRGVXHFDC-SJORKVTESA-N 1 2 298.386 1.836 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000819697589 606975533 /nfs/dbraw/zinc/97/55/33/606975533.db2.gz IKSGLLPYRPNFIH-UHFFFAOYSA-N 1 2 283.310 1.464 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000819697589 606975532 /nfs/dbraw/zinc/97/55/32/606975532.db2.gz IKSGLLPYRPNFIH-UHFFFAOYSA-N 1 2 283.310 1.464 20 30 CDEDLO C=C[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C(=O)[O-] ZINC001602815640 1175414601 /nfs/dbraw/zinc/41/46/01/1175414601.db2.gz BMOPQBQUNUTGMP-DOMZBBRYSA-N 1 2 289.379 1.836 20 30 CDEDLO Cc1cc(NC(=O)CO[NH+]=C(N)c2ccccc2)no1 ZINC000005295803 617202125 /nfs/dbraw/zinc/20/21/25/617202125.db2.gz OWNUDXGJDMCKAO-UHFFFAOYSA-N 1 2 274.280 1.259 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(C(C)C)n[nH]2)C1 ZINC000952314403 612991747 /nfs/dbraw/zinc/99/17/47/612991747.db2.gz UDCCZTYXYBNNFP-UHFFFAOYSA-N 1 2 288.395 1.703 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccnn2CC)C1 ZINC000949960277 612992325 /nfs/dbraw/zinc/99/23/25/612992325.db2.gz XOBUHLGIGIRVTD-UHFFFAOYSA-N 1 2 274.368 1.073 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2ccc(Cl)o2)CC1 ZINC000980714711 613157811 /nfs/dbraw/zinc/15/78/11/613157811.db2.gz GZOHLEWONYSTEW-UHFFFAOYSA-N 1 2 266.728 1.714 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2ccc(Cl)o2)CC1 ZINC000980714711 613157812 /nfs/dbraw/zinc/15/78/12/613157812.db2.gz GZOHLEWONYSTEW-UHFFFAOYSA-N 1 2 266.728 1.714 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCC3CC3)C2)C1 ZINC000972304883 613211093 /nfs/dbraw/zinc/21/10/93/613211093.db2.gz ORZDMJLTEFXZME-INIZCTEOSA-N 1 2 276.380 1.113 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCC3CC3)C2)C1 ZINC000972304883 613211095 /nfs/dbraw/zinc/21/10/95/613211095.db2.gz ORZDMJLTEFXZME-INIZCTEOSA-N 1 2 276.380 1.113 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2snnc2CC)C1 ZINC000967279279 613222114 /nfs/dbraw/zinc/22/21/14/613222114.db2.gz JWOXCLOXGNSUGK-ZYHUDNBSSA-N 1 2 292.408 1.174 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2snnc2CC)C1 ZINC000967279279 613222116 /nfs/dbraw/zinc/22/21/16/613222116.db2.gz JWOXCLOXGNSUGK-ZYHUDNBSSA-N 1 2 292.408 1.174 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ncccc2F)C1 ZINC000957039266 613297738 /nfs/dbraw/zinc/29/77/38/613297738.db2.gz YFPWTRMSQFDXKV-UHFFFAOYSA-N 1 2 277.343 1.943 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2cnc(C)s2)C(C)(C)C1 ZINC000972853453 613301250 /nfs/dbraw/zinc/30/12/50/613301250.db2.gz OQHHRWFZNPTKKE-LBPRGKRZSA-N 1 2 277.393 1.525 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2cnc(C)s2)C(C)(C)C1 ZINC000972853453 613301252 /nfs/dbraw/zinc/30/12/52/613301252.db2.gz OQHHRWFZNPTKKE-LBPRGKRZSA-N 1 2 277.393 1.525 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(COC)on2)CC1 ZINC000951360831 613320492 /nfs/dbraw/zinc/32/04/92/613320492.db2.gz BWAJQSJAYCKAIW-UHFFFAOYSA-N 1 2 279.340 1.155 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccnc(C3CC3)n2)CC1 ZINC000951122373 613321354 /nfs/dbraw/zinc/32/13/54/613321354.db2.gz GIXSRYOXWUPKJR-UHFFFAOYSA-N 1 2 286.379 1.688 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000967776775 613375591 /nfs/dbraw/zinc/37/55/91/613375591.db2.gz IFCBRRVOQDRXRT-CYDRSHDDSA-N 1 2 298.814 1.458 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000967776775 613375592 /nfs/dbraw/zinc/37/55/92/613375592.db2.gz IFCBRRVOQDRXRT-CYDRSHDDSA-N 1 2 298.814 1.458 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccncn2)C1 ZINC000968432144 613377503 /nfs/dbraw/zinc/37/75/03/613377503.db2.gz WKNHWBQJYMIKHX-GWCFXTLKSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccncn2)C1 ZINC000968432144 613377504 /nfs/dbraw/zinc/37/75/04/613377504.db2.gz WKNHWBQJYMIKHX-GWCFXTLKSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2ccon2)C(C)(C)C1 ZINC000972863755 613380820 /nfs/dbraw/zinc/38/08/20/613380820.db2.gz NTEQLRFEAVEQMA-LBPRGKRZSA-N 1 2 297.786 1.796 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2ccon2)C(C)(C)C1 ZINC000972863755 613380821 /nfs/dbraw/zinc/38/08/21/613380821.db2.gz NTEQLRFEAVEQMA-LBPRGKRZSA-N 1 2 297.786 1.796 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N[C@](C)(C#N)CN(C)C)ccn12 ZINC000890886633 617345596 /nfs/dbraw/zinc/34/55/96/617345596.db2.gz LMMUKQVOQJORGM-OAHLLOKOSA-N 1 2 285.351 1.216 20 30 CDEDLO CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1[nH]ncc1F ZINC000969020056 613546926 /nfs/dbraw/zinc/54/69/26/613546926.db2.gz KKBORWRVOUIFNY-LBPRGKRZSA-N 1 2 292.358 1.547 20 30 CDEDLO CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)c1[nH]ncc1F ZINC000969020056 613546928 /nfs/dbraw/zinc/54/69/28/613546928.db2.gz KKBORWRVOUIFNY-LBPRGKRZSA-N 1 2 292.358 1.547 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CC[C@@H]2CC[C@@H](C)O2)CC1 ZINC000957731016 613562100 /nfs/dbraw/zinc/56/21/00/613562100.db2.gz WDKQWRNMPADFAX-CABCVRRESA-N 1 2 278.396 1.502 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2CCCC2(F)F)CC1 ZINC000949859057 613562440 /nfs/dbraw/zinc/56/24/40/613562440.db2.gz IGKXEWYNUUAIBO-ZDUSSCGKSA-N 1 2 284.350 1.979 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCn2nc(C)cc2C)CC1 ZINC000949558338 613562638 /nfs/dbraw/zinc/56/26/38/613562638.db2.gz MKXJIRMXJHXEIK-UHFFFAOYSA-N 1 2 288.395 1.058 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2ccc(F)c(F)c2)CC1 ZINC000949921642 613563101 /nfs/dbraw/zinc/56/31/01/613563101.db2.gz DRMJLJRFZYYTAD-UHFFFAOYSA-N 1 2 292.329 1.675 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)SC)C2)C1 ZINC000972269388 613571260 /nfs/dbraw/zinc/57/12/60/613571260.db2.gz MVOWUDCEZVVCPC-DZGCQCFKSA-N 1 2 296.436 1.065 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)SC)C2)C1 ZINC000972269388 613571261 /nfs/dbraw/zinc/57/12/61/613571261.db2.gz MVOWUDCEZVVCPC-DZGCQCFKSA-N 1 2 296.436 1.065 20 30 CDEDLO O=C(NCC#C[C@H]1CCCCO1)[C@H]1CCc2[nH+]ccn2C1 ZINC000891117597 617366084 /nfs/dbraw/zinc/36/60/84/617366084.db2.gz WXTJRQBKCHWQJM-UONOGXRCSA-N 1 2 287.363 1.134 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CO[C@H]2CCC[C@H](C)C2)CC1 ZINC000951122970 613708390 /nfs/dbraw/zinc/70/83/90/613708390.db2.gz OKNBYFVACFOSMA-GJZGRUSLSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCn3nccc32)CC1 ZINC000948935908 613711187 /nfs/dbraw/zinc/71/11/87/613711187.db2.gz WJCKGJPRCUOKIF-CYBMUJFWSA-N 1 2 274.368 1.091 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)c2c(C)nn(C)c2C)CC1 ZINC000957923691 613712061 /nfs/dbraw/zinc/71/20/61/613712061.db2.gz GAERYCKXQJKSOZ-GFCCVEGCSA-N 1 2 290.411 1.471 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000957084569 613713183 /nfs/dbraw/zinc/71/31/83/613713183.db2.gz LMOOPQACPVJGRT-LSDHHAIUSA-N 1 2 280.412 1.768 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2Cc3c(cccc3C)O2)CC1 ZINC000957346489 613713640 /nfs/dbraw/zinc/71/36/40/613713640.db2.gz PETVFDJBKXPNBY-MRXNPFEDSA-N 1 2 286.375 1.629 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C(F)F)nn2C)CC1 ZINC000949274676 613714339 /nfs/dbraw/zinc/71/43/39/613714339.db2.gz SSYINTIDZIJVEK-UHFFFAOYSA-N 1 2 284.310 1.302 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccn(C(C)C)n2)CC1 ZINC000951116861 613717449 /nfs/dbraw/zinc/71/74/49/613717449.db2.gz NNHVZONHISURDV-UHFFFAOYSA-N 1 2 262.357 1.408 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnn3c2nc(C)cc3C)CC1 ZINC000949590048 613718543 /nfs/dbraw/zinc/71/85/43/613718543.db2.gz DWGAMUVWKQMHFP-UHFFFAOYSA-N 1 2 299.378 1.290 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC(C)C)C2)C1 ZINC000972230331 613725373 /nfs/dbraw/zinc/72/53/73/613725373.db2.gz KRZMCCGOCSZGSO-OAHLLOKOSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CC(C)C)C2)C1 ZINC000972230331 613725375 /nfs/dbraw/zinc/72/53/75/613725375.db2.gz KRZMCCGOCSZGSO-OAHLLOKOSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnon1 ZINC000948974350 613805327 /nfs/dbraw/zinc/80/53/27/613805327.db2.gz FCFWTYDEWFYLPA-OAHLLOKOSA-N 1 2 298.346 1.585 20 30 CDEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnon1 ZINC000948974350 613805329 /nfs/dbraw/zinc/80/53/29/613805329.db2.gz FCFWTYDEWFYLPA-OAHLLOKOSA-N 1 2 298.346 1.585 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2[nH]nc(C)c2C)C(C)(C)C1 ZINC000972863404 613812472 /nfs/dbraw/zinc/81/24/72/613812472.db2.gz GMGYDPOKCKTGLC-GFCCVEGCSA-N 1 2 276.384 1.653 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2[nH]nc(C)c2C)C(C)(C)C1 ZINC000972863404 613812473 /nfs/dbraw/zinc/81/24/73/613812473.db2.gz GMGYDPOKCKTGLC-GFCCVEGCSA-N 1 2 276.384 1.653 20 30 CDEDLO C=CCN(CC=C)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925574581 617522550 /nfs/dbraw/zinc/52/25/50/617522550.db2.gz VSILBMAGIJCZBG-CQSZACIVSA-N 1 2 281.400 1.481 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581567 617679814 /nfs/dbraw/zinc/67/98/14/617679814.db2.gz KHXVSRYMCMDTGC-GWCFXTLKSA-N 1 2 263.297 1.720 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581567 617679818 /nfs/dbraw/zinc/67/98/18/617679818.db2.gz KHXVSRYMCMDTGC-GWCFXTLKSA-N 1 2 263.297 1.720 20 30 CDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc(C)co2)CC1 ZINC000893915521 618172944 /nfs/dbraw/zinc/17/29/44/618172944.db2.gz WRVSIZSCGSNRJR-UHFFFAOYSA-N 1 2 277.368 1.008 20 30 CDEDLO CC[C@@H](CO)Nc1cc(N2CCC[C@@H](CC#N)C2)nc[nH+]1 ZINC000894487150 618914270 /nfs/dbraw/zinc/91/42/70/618914270.db2.gz PCECFZQAHMHDEY-STQMWFEESA-N 1 2 289.383 1.789 20 30 CDEDLO CC[C@@H](CO)Nc1cc(N2CCC[C@@H](CC#N)C2)[nH+]cn1 ZINC000894487150 618914273 /nfs/dbraw/zinc/91/42/73/618914273.db2.gz PCECFZQAHMHDEY-STQMWFEESA-N 1 2 289.383 1.789 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2c(F)cccc2Cl)CCCN1O ZINC000895167268 619398361 /nfs/dbraw/zinc/39/83/61/619398361.db2.gz XVTNIWCSIXGMLL-NSHDSACASA-N 1 2 272.707 1.949 20 30 CDEDLO C[C@@H](Nc1nc(Cl)c(C#N)s1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000895247101 619493701 /nfs/dbraw/zinc/49/37/01/619493701.db2.gz SORWJLHWPGAORF-BDAKNGLRSA-N 1 2 299.831 1.714 20 30 CDEDLO C[C@@H](Nc1nc(Cl)c(C#N)s1)[C@@H]1CN(C)CC[N@H+]1C ZINC000895247101 619493703 /nfs/dbraw/zinc/49/37/03/619493703.db2.gz SORWJLHWPGAORF-BDAKNGLRSA-N 1 2 299.831 1.714 20 30 CDEDLO C=C[C@H](CC)CC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000909525541 619756231 /nfs/dbraw/zinc/75/62/31/619756231.db2.gz PUAAVBTZMMVHDJ-MCIONIFRSA-N 1 2 267.369 1.995 20 30 CDEDLO C=C[C@H](CC)CC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000909525541 619756236 /nfs/dbraw/zinc/75/62/36/619756236.db2.gz PUAAVBTZMMVHDJ-MCIONIFRSA-N 1 2 267.369 1.995 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)Nc1ncccc1C#N ZINC000895804346 619853358 /nfs/dbraw/zinc/85/33/58/619853358.db2.gz KBGODTWJHFNANI-CYBMUJFWSA-N 1 2 260.341 1.476 20 30 CDEDLO Cc1[nH]c(CNC(=O)c2cc(C#N)[nH]c2C)[nH+]c1C ZINC000896910319 620300448 /nfs/dbraw/zinc/30/04/48/620300448.db2.gz QCMJWHFVSSCTQB-UHFFFAOYSA-N 1 2 257.297 1.465 20 30 CDEDLO C#CCSCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000897048438 620357626 /nfs/dbraw/zinc/35/76/26/620357626.db2.gz LWBVXHYBEFEBSQ-UHFFFAOYSA-N 1 2 251.355 1.098 20 30 CDEDLO C#C[C@@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(C)(C)C ZINC000897774380 621104231 /nfs/dbraw/zinc/10/42/31/621104231.db2.gz FCMLQLZEUNZQLF-UONOGXRCSA-N 1 2 288.395 1.954 20 30 CDEDLO C#C[C@@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(C)(C)C ZINC000897774380 621104234 /nfs/dbraw/zinc/10/42/34/621104234.db2.gz FCMLQLZEUNZQLF-UONOGXRCSA-N 1 2 288.395 1.954 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)cc1 ZINC000898192300 621387464 /nfs/dbraw/zinc/38/74/64/621387464.db2.gz IDTITMXIGHWCCF-LSDHHAIUSA-N 1 2 263.312 1.603 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)cc1 ZINC000898192300 621387471 /nfs/dbraw/zinc/38/74/71/621387471.db2.gz IDTITMXIGHWCCF-LSDHHAIUSA-N 1 2 263.312 1.603 20 30 CDEDLO N#Cc1sccc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000907526748 627699007 /nfs/dbraw/zinc/69/90/07/627699007.db2.gz SPHHJSNTCWFCFT-VIFPVBQESA-N 1 2 272.333 1.561 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000835369688 631626183 /nfs/dbraw/zinc/62/61/83/631626183.db2.gz ASXLDNNPBHQRAC-TUAOUCFPSA-N 1 2 257.305 1.165 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000835369688 631626187 /nfs/dbraw/zinc/62/61/87/631626187.db2.gz ASXLDNNPBHQRAC-TUAOUCFPSA-N 1 2 257.305 1.165 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000840752428 631846413 /nfs/dbraw/zinc/84/64/13/631846413.db2.gz KHXVNQITFJAALT-LLVKDONJSA-N 1 2 297.286 1.319 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000840752428 631846417 /nfs/dbraw/zinc/84/64/17/631846417.db2.gz KHXVNQITFJAALT-LLVKDONJSA-N 1 2 297.286 1.319 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCC(=O)NCC2CC2)ccc1F ZINC000154264712 632137879 /nfs/dbraw/zinc/13/78/79/632137879.db2.gz WXTONHLIAVROLZ-UHFFFAOYSA-N 1 2 279.315 1.297 20 30 CDEDLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)NO)c1 ZINC000919985712 632707476 /nfs/dbraw/zinc/70/74/76/632707476.db2.gz UMLRADFQXSLLID-UHFFFAOYSA-N 1 2 274.280 1.031 20 30 CDEDLO N#CCNC[C@H]1CCC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001753903300 1158492730 /nfs/dbraw/zinc/49/27/30/1158492730.db2.gz XDCNJRYQTPECDK-ZIAGYGMSSA-N 1 2 289.383 1.061 20 30 CDEDLO NC(=O)c1c[nH]c2nc[nH+]c(NCC#Cc3ccccc3)c12 ZINC001170427286 1162399274 /nfs/dbraw/zinc/39/92/74/1162399274.db2.gz LMQLVURHJIOCNU-UHFFFAOYSA-N 1 2 291.314 1.472 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)C(C)(C)C ZINC001114076489 1162414927 /nfs/dbraw/zinc/41/49/27/1162414927.db2.gz AZWMRAIYKGUZLZ-URLYPYJESA-N 1 2 284.787 1.401 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)C(C)(C)C ZINC001114076489 1162414929 /nfs/dbraw/zinc/41/49/29/1162414929.db2.gz AZWMRAIYKGUZLZ-URLYPYJESA-N 1 2 284.787 1.401 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H](C)C(C)(F)F)C1 ZINC001754582343 1159296529 /nfs/dbraw/zinc/29/65/29/1159296529.db2.gz ZIXJVBSPVGZJRX-LLVKDONJSA-N 1 2 290.354 1.623 20 30 CDEDLO CCOCC(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001422146450 1159970004 /nfs/dbraw/zinc/97/00/04/1159970004.db2.gz UOGJZXYLEQPHQA-UHFFFAOYSA-N 1 2 289.379 1.485 20 30 CDEDLO CCOCC(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001422146450 1159970005 /nfs/dbraw/zinc/97/00/05/1159970005.db2.gz UOGJZXYLEQPHQA-UHFFFAOYSA-N 1 2 289.379 1.485 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nccn2C)C1 ZINC001131899843 1163101561 /nfs/dbraw/zinc/10/15/61/1163101561.db2.gz QRGLRJHSTXEPOC-ZIAGYGMSSA-N 1 2 290.411 1.855 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nccn2C)C1 ZINC001131899843 1163101566 /nfs/dbraw/zinc/10/15/66/1163101566.db2.gz QRGLRJHSTXEPOC-ZIAGYGMSSA-N 1 2 290.411 1.855 20 30 CDEDLO C#CC(C)(C)C(=O)N1CC2(C1)C[NH+](Cc1cccc(=O)[nH]1)C2 ZINC001272345645 1161079465 /nfs/dbraw/zinc/07/94/65/1161079465.db2.gz HRYVWCPAACBITC-UHFFFAOYSA-N 1 2 299.374 1.091 20 30 CDEDLO C=CCC1(C(=O)NCC[NH2+][C@H](C)c2nc(C)no2)CCC1 ZINC001133398625 1163669464 /nfs/dbraw/zinc/66/94/64/1163669464.db2.gz GIMQHEWXXKTXNG-LLVKDONJSA-N 1 2 292.383 1.891 20 30 CDEDLO Cc1cc(NC(=O)CO[NH+]=C(N)Cc2ccccc2)no1 ZINC000047255655 1166798324 /nfs/dbraw/zinc/79/83/24/1166798324.db2.gz NHSXLEOAFQFFTJ-UHFFFAOYSA-N 1 2 288.307 1.453 20 30 CDEDLO N#Cc1cccc(-c2nn[nH]n2)c1NCc1ccc(N)[nH+]c1 ZINC001592699630 1173975428 /nfs/dbraw/zinc/97/54/28/1173975428.db2.gz FPMZJPWMSNTRNY-UHFFFAOYSA-N 1 2 292.306 1.328 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)COCC)C1 ZINC001717542177 1180730934 /nfs/dbraw/zinc/73/09/34/1180730934.db2.gz YTLCILWELFDKIT-SNVBAGLBSA-N 1 2 260.765 1.212 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1c[nH]nc1C ZINC001731780220 1182572739 /nfs/dbraw/zinc/57/27/39/1182572739.db2.gz IFSCCVBSLCTASV-UHFFFAOYSA-N 1 2 256.737 1.132 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1c[nH]nc1C ZINC001731780220 1182572744 /nfs/dbraw/zinc/57/27/44/1182572744.db2.gz IFSCCVBSLCTASV-UHFFFAOYSA-N 1 2 256.737 1.132 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](OCC)C(=C)C ZINC001752535907 1184876270 /nfs/dbraw/zinc/87/62/70/1184876270.db2.gz NPVIPZQONUNHQM-OWCLPIDISA-N 1 2 290.407 1.666 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](OCC)C(=C)C ZINC001752535907 1184876274 /nfs/dbraw/zinc/87/62/74/1184876274.db2.gz NPVIPZQONUNHQM-OWCLPIDISA-N 1 2 290.407 1.666 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](CC)OC ZINC001753078737 1185044448 /nfs/dbraw/zinc/04/44/48/1185044448.db2.gz MYUKDWDYUCJZCM-NSHDSACASA-N 1 2 262.781 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](CC)OC ZINC001753078737 1185044456 /nfs/dbraw/zinc/04/44/56/1185044456.db2.gz MYUKDWDYUCJZCM-NSHDSACASA-N 1 2 262.781 1.602 20 30 CDEDLO C#CC[N@H+](CC)CCNC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001753092058 1185056436 /nfs/dbraw/zinc/05/64/36/1185056436.db2.gz DBRXYLKLXCZHLT-UHFFFAOYSA-N 1 2 297.362 1.157 20 30 CDEDLO C#CC[N@@H+](CC)CCNC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001753092058 1185056442 /nfs/dbraw/zinc/05/64/42/1185056442.db2.gz DBRXYLKLXCZHLT-UHFFFAOYSA-N 1 2 297.362 1.157 20 30 CDEDLO C[C@@H]1CCCC[C@@]1(CNCC#N)NC(=O)Cn1cc[nH+]c1 ZINC001753538377 1185250292 /nfs/dbraw/zinc/25/02/92/1185250292.db2.gz ZIJAFHWZNCYZCG-HIFRSBDPSA-N 1 2 289.383 1.061 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)CCCCC)C1 ZINC001753646452 1185285067 /nfs/dbraw/zinc/28/50/67/1185285067.db2.gz RYVINIQUIHECAR-CYBMUJFWSA-N 1 2 254.374 1.570 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)CCCCC)C1 ZINC001753646452 1185285063 /nfs/dbraw/zinc/28/50/63/1185285063.db2.gz RYVINIQUIHECAR-CYBMUJFWSA-N 1 2 254.374 1.570 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N(C)CC[N@@H+](C)CC(=O)NC(C)C ZINC001753859338 1185366598 /nfs/dbraw/zinc/36/65/98/1185366598.db2.gz LBDWDNXSHSFTPG-UHFFFAOYSA-N 1 2 297.443 1.504 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N(C)CC[N@H+](C)CC(=O)NC(C)C ZINC001753859338 1185366604 /nfs/dbraw/zinc/36/66/04/1185366604.db2.gz LBDWDNXSHSFTPG-UHFFFAOYSA-N 1 2 297.443 1.504 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccnn1C ZINC001754474808 1185632370 /nfs/dbraw/zinc/63/23/70/1185632370.db2.gz HCKPOUBNQQUQBC-LBPRGKRZSA-N 1 2 262.357 1.077 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccnn1C ZINC001754474808 1185632372 /nfs/dbraw/zinc/63/23/72/1185632372.db2.gz HCKPOUBNQQUQBC-LBPRGKRZSA-N 1 2 262.357 1.077 20 30 CDEDLO C=C(C)CC[NH+]1CC(N(C)C(=O)C(F)C(F)(F)F)C1 ZINC001754575979 1185672226 /nfs/dbraw/zinc/67/22/26/1185672226.db2.gz VPPORILAEHRJAV-JTQLQIEISA-N 1 2 282.281 1.996 20 30 CDEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H](C)CCC)C1 ZINC001754765109 1185726400 /nfs/dbraw/zinc/72/64/00/1185726400.db2.gz XCJWARLMTAJMKK-LBPRGKRZSA-N 1 2 254.374 1.162 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1COCC[N@H+]1CC ZINC001754969509 1185773170 /nfs/dbraw/zinc/77/31/70/1185773170.db2.gz APORBODILUZEBM-GFCCVEGCSA-N 1 2 254.374 1.426 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1COCC[N@@H+]1CC ZINC001754969509 1185773173 /nfs/dbraw/zinc/77/31/73/1185773173.db2.gz APORBODILUZEBM-GFCCVEGCSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CC(C)(C)CC(=O)N(CC[N@@H+](C)CC(=O)NC)C(C)C ZINC001755813195 1186077190 /nfs/dbraw/zinc/07/71/90/1186077190.db2.gz IMJKZFZKRZRSQW-UHFFFAOYSA-N 1 2 297.443 1.504 20 30 CDEDLO C=CC(C)(C)CC(=O)N(CC[N@H+](C)CC(=O)NC)C(C)C ZINC001755813195 1186077194 /nfs/dbraw/zinc/07/71/94/1186077194.db2.gz IMJKZFZKRZRSQW-UHFFFAOYSA-N 1 2 297.443 1.504 20 30 CDEDLO N#CC1(CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000797438914 738406798 /nfs/dbraw/zinc/40/67/98/738406798.db2.gz NWWHGLGAAHPQTM-UHFFFAOYSA-N 1 2 295.346 1.975 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792279375 736386319 /nfs/dbraw/zinc/38/63/19/736386319.db2.gz DRBJIDRKKLQAOH-UHFFFAOYSA-N 1 2 257.249 1.794 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H]1C ZINC000993144006 736581938 /nfs/dbraw/zinc/58/19/38/736581938.db2.gz ILRGBLXJPCECMG-WCQYABFASA-N 1 2 296.802 1.674 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H]1C ZINC000993144006 736581940 /nfs/dbraw/zinc/58/19/40/736581940.db2.gz ILRGBLXJPCECMG-WCQYABFASA-N 1 2 296.802 1.674 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CCCC[C@@H]1C ZINC000884102832 736581974 /nfs/dbraw/zinc/58/19/74/736581974.db2.gz OBDUDPUGHSMKIA-XQQFMLRXSA-N 1 2 282.384 1.376 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccnc(C)c2)C1 ZINC001015875395 736582556 /nfs/dbraw/zinc/58/25/56/736582556.db2.gz SAOWVANNIJDHNJ-CYBMUJFWSA-N 1 2 279.771 1.947 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccnc(C)c2)C1 ZINC001015875395 736582557 /nfs/dbraw/zinc/58/25/57/736582557.db2.gz SAOWVANNIJDHNJ-CYBMUJFWSA-N 1 2 279.771 1.947 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCc3cccnc32)C1 ZINC001030857964 736615506 /nfs/dbraw/zinc/61/55/06/736615506.db2.gz MUNWGDNVTJHNMZ-CQSZACIVSA-N 1 2 271.364 1.488 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2ncoc2[C@@H]2CCCO2)C1 ZINC001030787794 736593991 /nfs/dbraw/zinc/59/39/91/736593991.db2.gz VECMAVAUSZMBFC-LBPRGKRZSA-N 1 2 291.351 1.516 20 30 CDEDLO Cc1nc(C)n(C2C[NH+](C[C@@H](O)c3ccc(C#N)cc3)C2)n1 ZINC000818172187 736602063 /nfs/dbraw/zinc/60/20/63/736602063.db2.gz KCEXUSNUVPXFTL-MRXNPFEDSA-N 1 2 297.362 1.357 20 30 CDEDLO Cc1nc(N[C@H](C)[C@H]2CCN(C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001065704509 736607757 /nfs/dbraw/zinc/60/77/57/736607757.db2.gz ZORFFHYXYZROBS-DOMZBBRYSA-N 1 2 298.390 1.847 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2c1CCOC2 ZINC001038498354 738451534 /nfs/dbraw/zinc/45/15/34/738451534.db2.gz ZOEUIDVKEXKKOV-OAHLLOKOSA-N 1 2 298.386 1.587 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2c1CCOC2 ZINC001038498354 738451541 /nfs/dbraw/zinc/45/15/41/738451541.db2.gz ZOEUIDVKEXKKOV-OAHLLOKOSA-N 1 2 298.386 1.587 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2nccs2)[C@@H]1C ZINC000994059030 736630479 /nfs/dbraw/zinc/63/04/79/736630479.db2.gz LWSOMKGHSBCXHO-QWRGUYRKSA-N 1 2 263.366 1.359 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2nccs2)[C@@H]1C ZINC000994059030 736630480 /nfs/dbraw/zinc/63/04/80/736630480.db2.gz LWSOMKGHSBCXHO-QWRGUYRKSA-N 1 2 263.366 1.359 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c2ccccc2nn1C ZINC001038880827 736631193 /nfs/dbraw/zinc/63/11/93/736631193.db2.gz LDSASJICFIIYDU-GFCCVEGCSA-N 1 2 282.347 1.011 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c2ccccc2nn1C ZINC001038880827 736631195 /nfs/dbraw/zinc/63/11/95/736631195.db2.gz LDSASJICFIIYDU-GFCCVEGCSA-N 1 2 282.347 1.011 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn2c(n1)CCCC2 ZINC001017598394 736643682 /nfs/dbraw/zinc/64/36/82/736643682.db2.gz GKSGTOQKXZFXRH-OKILXGFUSA-N 1 2 298.390 1.141 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn2c(n1)CCCC2 ZINC001017598394 736643687 /nfs/dbraw/zinc/64/36/87/736643687.db2.gz GKSGTOQKXZFXRH-OKILXGFUSA-N 1 2 298.390 1.141 20 30 CDEDLO CCC(=[NH+]NC(=S)N[C@H](C)COC)c1cccc(N)c1 ZINC000814733967 736675581 /nfs/dbraw/zinc/67/55/81/736675581.db2.gz ZMCFTLXNJDPNAO-SNVBAGLBSA-N 1 2 294.424 1.882 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c2c[nH]nc2ccc1C ZINC001038425453 736722240 /nfs/dbraw/zinc/72/22/40/736722240.db2.gz MBNNZMXPFLNXQQ-LBPRGKRZSA-N 1 2 282.347 1.309 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c2c[nH]nc2ccc1C ZINC001038425453 736722247 /nfs/dbraw/zinc/72/22/47/736722247.db2.gz MBNNZMXPFLNXQQ-LBPRGKRZSA-N 1 2 282.347 1.309 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)CC[C@H]1C ZINC001071975600 736762757 /nfs/dbraw/zinc/76/27/57/736762757.db2.gz XOWOBMJRYRDFIS-MNOVXSKESA-N 1 2 297.790 1.069 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)CC[C@H]1C ZINC001071975600 736762763 /nfs/dbraw/zinc/76/27/63/736762763.db2.gz XOWOBMJRYRDFIS-MNOVXSKESA-N 1 2 297.790 1.069 20 30 CDEDLO C=CCOc1ccc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)cc1 ZINC000783730704 736851620 /nfs/dbraw/zinc/85/16/20/736851620.db2.gz VPKSSWVTBASEGA-ZDUSSCGKSA-N 1 2 274.364 1.914 20 30 CDEDLO C=CCOc1ccc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)cc1 ZINC000783730704 736851624 /nfs/dbraw/zinc/85/16/24/736851624.db2.gz VPKSSWVTBASEGA-ZDUSSCGKSA-N 1 2 274.364 1.914 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2C)C1 ZINC001035271559 736874253 /nfs/dbraw/zinc/87/42/53/736874253.db2.gz DZRKPUMRNKCLIC-CQSZACIVSA-N 1 2 274.364 1.612 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccccc2C)C1 ZINC001035271559 736874255 /nfs/dbraw/zinc/87/42/55/736874255.db2.gz DZRKPUMRNKCLIC-CQSZACIVSA-N 1 2 274.364 1.612 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C2([C@H]3CCCCO3)CCC2)C1 ZINC001030667658 736914060 /nfs/dbraw/zinc/91/40/60/736914060.db2.gz RBOUVTCYEXOYNX-OAHLLOKOSA-N 1 2 290.407 1.550 20 30 CDEDLO C=CCn1cccc1C(=O)NC1C[NH+](C[C@H](C)OC)C1 ZINC001030447046 736958886 /nfs/dbraw/zinc/95/88/86/736958886.db2.gz GYQGBIOVJUNJLB-LBPRGKRZSA-N 1 2 277.368 1.123 20 30 CDEDLO N#Cc1cccn(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c1=O ZINC000789501436 737061092 /nfs/dbraw/zinc/06/10/92/737061092.db2.gz FIENNBVCCJCTGJ-KBPBESRZSA-N 1 2 273.336 1.321 20 30 CDEDLO N#Cc1cccn(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c1=O ZINC000789501436 737061097 /nfs/dbraw/zinc/06/10/97/737061097.db2.gz FIENNBVCCJCTGJ-KBPBESRZSA-N 1 2 273.336 1.321 20 30 CDEDLO Cc1ccc(NC(=O)N2CC(C)(C#N)C2)c(N(C)C)[nH+]1 ZINC000794242328 737082805 /nfs/dbraw/zinc/08/28/05/737082805.db2.gz CYVCICXLRNKMSH-UHFFFAOYSA-N 1 2 273.340 1.833 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1OC ZINC001038958611 737103637 /nfs/dbraw/zinc/10/36/37/737103637.db2.gz XEYWAHFNLPNBKD-ZDUSSCGKSA-N 1 2 272.348 1.523 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1OC ZINC001038958611 737103642 /nfs/dbraw/zinc/10/36/42/737103642.db2.gz XEYWAHFNLPNBKD-ZDUSSCGKSA-N 1 2 272.348 1.523 20 30 CDEDLO CCn1nc(C)c(C[NH2+]Cc2ccc(OC)c(C#N)c2)n1 ZINC000824027107 737150322 /nfs/dbraw/zinc/15/03/22/737150322.db2.gz GERMWDTZBQDCLM-UHFFFAOYSA-N 1 2 285.351 1.777 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncccn1 ZINC001045734034 737209388 /nfs/dbraw/zinc/20/93/88/737209388.db2.gz ZRCLDYVFYPVBGP-MJBXVCDLSA-N 1 2 299.378 1.202 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncccn1 ZINC001045734034 737209398 /nfs/dbraw/zinc/20/93/98/737209398.db2.gz ZRCLDYVFYPVBGP-MJBXVCDLSA-N 1 2 299.378 1.202 20 30 CDEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)CC(C)C)C2)CC1 ZINC001051972313 737254342 /nfs/dbraw/zinc/25/43/42/737254342.db2.gz LUUHTJBLOUQLSS-INIZCTEOSA-N 1 2 291.439 1.274 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccn(C)c2CC)C1 ZINC001035507506 737265113 /nfs/dbraw/zinc/26/51/13/737265113.db2.gz JGJRPDFPWFIWFS-CYBMUJFWSA-N 1 2 291.395 1.204 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccn(C)c2CC)C1 ZINC001035507506 737265115 /nfs/dbraw/zinc/26/51/15/737265115.db2.gz JGJRPDFPWFIWFS-CYBMUJFWSA-N 1 2 291.395 1.204 20 30 CDEDLO N#Cc1cccc(NC(=O)/C=C\C[NH+]2CCOCC2)c1 ZINC000864439304 737276836 /nfs/dbraw/zinc/27/68/36/737276836.db2.gz PKZXCTAILYHCDQ-DJWKRKHSSA-N 1 2 271.320 1.385 20 30 CDEDLO C#CCO[C@H](C)C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874888620 737326808 /nfs/dbraw/zinc/32/68/08/737326808.db2.gz FSGIJBAZJNSZHR-IUODEOHRSA-N 1 2 290.338 1.337 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2[nH]c(C)nc2C)C1 ZINC001031985100 737460799 /nfs/dbraw/zinc/46/07/99/737460799.db2.gz NOOFXAJDMOZAFK-UHFFFAOYSA-N 1 2 282.775 1.441 20 30 CDEDLO C#CCC1(O)CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000882968581 737507722 /nfs/dbraw/zinc/50/77/22/737507722.db2.gz SHNCUBXAAKSKKE-UHFFFAOYSA-N 1 2 272.352 1.406 20 30 CDEDLO C#CCC1(O)CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000882968581 737507723 /nfs/dbraw/zinc/50/77/23/737507723.db2.gz SHNCUBXAAKSKKE-UHFFFAOYSA-N 1 2 272.352 1.406 20 30 CDEDLO N#Cc1ccc([C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CCO2)cc1 ZINC000887734514 737563238 /nfs/dbraw/zinc/56/32/38/737563238.db2.gz CEHXCAVDWHJXGU-CQSZACIVSA-N 1 2 296.330 1.424 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001038343580 737570796 /nfs/dbraw/zinc/57/07/96/737570796.db2.gz AYYAPEGXKGCVHE-GFCCVEGCSA-N 1 2 278.302 1.792 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001038343580 737570801 /nfs/dbraw/zinc/57/08/01/737570801.db2.gz AYYAPEGXKGCVHE-GFCCVEGCSA-N 1 2 278.302 1.792 20 30 CDEDLO Cc1nccnc1C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000862422912 737576714 /nfs/dbraw/zinc/57/67/14/737576714.db2.gz KQPOBGBCLMSVKP-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO C[C@@H]1CN(CC#N)CC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000942183983 737653106 /nfs/dbraw/zinc/65/31/06/737653106.db2.gz PPQVSSKDVSRJAQ-DGCLKSJQSA-N 1 2 297.362 1.527 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccccc2Cl)C1 ZINC001031293835 737784872 /nfs/dbraw/zinc/78/48/72/737784872.db2.gz QCVWZZXZJUZDDA-UHFFFAOYSA-N 1 2 262.740 1.777 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cccc(COC)c1 ZINC000884080539 737740903 /nfs/dbraw/zinc/74/09/03/737740903.db2.gz ZCIOTBHHVXSOKN-ZDUSSCGKSA-N 1 2 292.335 1.218 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1nc(Cl)cs1 ZINC001038633539 737750749 /nfs/dbraw/zinc/75/07/49/737750749.db2.gz XHJFPOCGQUMXOK-MRVPVSSYSA-N 1 2 271.773 1.787 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc(Cl)cs1 ZINC001038633539 737750751 /nfs/dbraw/zinc/75/07/51/737750751.db2.gz XHJFPOCGQUMXOK-MRVPVSSYSA-N 1 2 271.773 1.787 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(N)=O ZINC001029454177 737751990 /nfs/dbraw/zinc/75/19/90/737751990.db2.gz UDDIJVWWTOPPPV-BCUIYNNISA-N 1 2 293.411 1.138 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(N)=O ZINC001029454177 737751996 /nfs/dbraw/zinc/75/19/96/737751996.db2.gz UDDIJVWWTOPPPV-BCUIYNNISA-N 1 2 293.411 1.138 20 30 CDEDLO CC(C)(C#N)CCCn1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000883990790 737756296 /nfs/dbraw/zinc/75/62/96/737756296.db2.gz GHVZFGBLFPXLNV-UHFFFAOYSA-N 1 2 291.399 1.565 20 30 CDEDLO C#CCNC(=O)C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000057211674 738500693 /nfs/dbraw/zinc/50/06/93/738500693.db2.gz QDIADIYYOZCKFP-CYBMUJFWSA-N 1 2 292.404 1.479 20 30 CDEDLO C#CCNC(=O)C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000057211674 738500702 /nfs/dbraw/zinc/50/07/02/738500702.db2.gz QDIADIYYOZCKFP-CYBMUJFWSA-N 1 2 292.404 1.479 20 30 CDEDLO C#CCOc1ccc(C(=O)NCC2C[NH+](CCF)C2)cc1 ZINC001032032463 737872122 /nfs/dbraw/zinc/87/21/22/737872122.db2.gz DTBQGMWSXCJJAD-UHFFFAOYSA-N 1 2 290.338 1.330 20 30 CDEDLO CCOC(=O)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000233690437 737874447 /nfs/dbraw/zinc/87/44/47/737874447.db2.gz YQHVZGODTCBFJL-UHFFFAOYSA-N 1 2 251.330 1.454 20 30 CDEDLO CC(C)C#CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000854177784 737853814 /nfs/dbraw/zinc/85/38/14/737853814.db2.gz ANEQCFZIHXJOGB-UHFFFAOYSA-N 1 2 257.337 1.390 20 30 CDEDLO C=CCONC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000837047383 737865595 /nfs/dbraw/zinc/86/55/95/737865595.db2.gz DKYAKEJQXVNGCR-HNNXBMFYSA-N 1 2 290.363 1.511 20 30 CDEDLO C=CCONC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000837047383 737865598 /nfs/dbraw/zinc/86/55/98/737865598.db2.gz DKYAKEJQXVNGCR-HNNXBMFYSA-N 1 2 290.363 1.511 20 30 CDEDLO C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2cn[nH]c21 ZINC001038259360 737879384 /nfs/dbraw/zinc/87/93/84/737879384.db2.gz AEAQSYFUSMIUDN-UONOGXRCSA-N 1 2 288.395 1.596 20 30 CDEDLO C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2cn[nH]c21 ZINC001038259360 737879385 /nfs/dbraw/zinc/87/93/85/737879385.db2.gz AEAQSYFUSMIUDN-UONOGXRCSA-N 1 2 288.395 1.596 20 30 CDEDLO CCOC[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000859769468 737884878 /nfs/dbraw/zinc/88/48/78/737884878.db2.gz FDDRGEUBHQHDIL-MRXNPFEDSA-N 1 2 290.363 1.826 20 30 CDEDLO CCOC[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000859769468 737884879 /nfs/dbraw/zinc/88/48/79/737884879.db2.gz FDDRGEUBHQHDIL-MRXNPFEDSA-N 1 2 290.363 1.826 20 30 CDEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)CC)CC1 ZINC001070938346 737921712 /nfs/dbraw/zinc/92/17/12/737921712.db2.gz PMLGCOZAFAYBTI-AWEZNQCLSA-N 1 2 295.427 1.259 20 30 CDEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)CC)CC1 ZINC001070938346 737921716 /nfs/dbraw/zinc/92/17/16/737921716.db2.gz PMLGCOZAFAYBTI-AWEZNQCLSA-N 1 2 295.427 1.259 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cccn2C(C)C)C1 ZINC001035610054 738077768 /nfs/dbraw/zinc/07/77/68/738077768.db2.gz NHGDHCDSGZGDCK-CQSZACIVSA-N 1 2 291.395 1.686 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cccn2C(C)C)C1 ZINC001035610054 738077773 /nfs/dbraw/zinc/07/77/73/738077773.db2.gz NHGDHCDSGZGDCK-CQSZACIVSA-N 1 2 291.395 1.686 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(F)c(COC)c1 ZINC001038677923 738000957 /nfs/dbraw/zinc/00/09/57/738000957.db2.gz WXOJQWWJQCHYDS-AWEZNQCLSA-N 1 2 290.338 1.409 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(F)c(COC)c1 ZINC001038677923 738000958 /nfs/dbraw/zinc/00/09/58/738000958.db2.gz WXOJQWWJQCHYDS-AWEZNQCLSA-N 1 2 290.338 1.409 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCCO2)C1 ZINC001006779863 738003692 /nfs/dbraw/zinc/00/36/92/738003692.db2.gz DSNSILQBUOHONQ-CHWSQXEVSA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCCO2)C1 ZINC001006779863 738003695 /nfs/dbraw/zinc/00/36/95/738003695.db2.gz DSNSILQBUOHONQ-CHWSQXEVSA-N 1 2 286.803 1.889 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccnn2C2CCCC2)C1 ZINC001030385364 738005338 /nfs/dbraw/zinc/00/53/38/738005338.db2.gz OUBUHQXNQDZTEN-UHFFFAOYSA-N 1 2 286.379 1.436 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1cccnc1 ZINC001032739783 738025430 /nfs/dbraw/zinc/02/54/30/738025430.db2.gz XBFRQORXLPKYLF-QEJZJMRPSA-N 1 2 269.348 1.103 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1cccnc1 ZINC001032739783 738025437 /nfs/dbraw/zinc/02/54/37/738025437.db2.gz XBFRQORXLPKYLF-QEJZJMRPSA-N 1 2 269.348 1.103 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncccc1C(F)(F)F ZINC001038875686 738031152 /nfs/dbraw/zinc/03/11/52/738031152.db2.gz YBDJRWVYVJSKQX-SNVBAGLBSA-N 1 2 297.280 1.538 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncccc1C(F)(F)F ZINC001038875686 738031159 /nfs/dbraw/zinc/03/11/59/738031159.db2.gz YBDJRWVYVJSKQX-SNVBAGLBSA-N 1 2 297.280 1.538 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874888621 738054738 /nfs/dbraw/zinc/05/47/38/738054738.db2.gz FSGIJBAZJNSZHR-SWLSCSKDSA-N 1 2 290.338 1.337 20 30 CDEDLO C#CCC[C@@H](O)CNc1nc(C2CC2)[nH+]c(C)c1OC ZINC000848696256 738123076 /nfs/dbraw/zinc/12/30/76/738123076.db2.gz IIDXMVWEWQCPPU-GFCCVEGCSA-N 1 2 275.352 1.857 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H]1C ZINC000994090681 738128720 /nfs/dbraw/zinc/12/87/20/738128720.db2.gz GMXVKFDXHBZXPC-NWDGAFQWSA-N 1 2 296.802 1.674 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H]1C ZINC000994090681 738128727 /nfs/dbraw/zinc/12/87/27/738128727.db2.gz GMXVKFDXHBZXPC-NWDGAFQWSA-N 1 2 296.802 1.674 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)Nc1cccc(OCC#N)c1 ZINC000809873858 738276757 /nfs/dbraw/zinc/27/67/57/738276757.db2.gz RSQWEHIDHHUMOI-UHFFFAOYSA-N 1 2 285.307 1.644 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccccc2-n2cccn2)C1 ZINC001031011239 738527573 /nfs/dbraw/zinc/52/75/73/738527573.db2.gz GCLORELWDMFUSP-UHFFFAOYSA-N 1 2 294.358 1.310 20 30 CDEDLO C=CCCc1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1 ZINC000823396807 738298582 /nfs/dbraw/zinc/29/85/82/738298582.db2.gz DTWOCPIRTMZQHR-VIFPVBQESA-N 1 2 267.329 1.920 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001030524184 738332943 /nfs/dbraw/zinc/33/29/43/738332943.db2.gz MSOCTPIVFAJXNB-UONOGXRCSA-N 1 2 274.389 1.675 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2[nH]nc(C3CC3)c2Cl)C1 ZINC001015092642 738365144 /nfs/dbraw/zinc/36/51/44/738365144.db2.gz FBWKBHKPAJXTIO-JTQLQIEISA-N 1 2 292.770 1.378 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc(C3CC3)c2Cl)C1 ZINC001015092642 738365146 /nfs/dbraw/zinc/36/51/46/738365146.db2.gz FBWKBHKPAJXTIO-JTQLQIEISA-N 1 2 292.770 1.378 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C)c(C)o2)C1 ZINC001042620686 738369017 /nfs/dbraw/zinc/36/90/17/738369017.db2.gz SIULLGFDJPKDDI-UHFFFAOYSA-N 1 2 260.337 1.676 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000884136496 738395313 /nfs/dbraw/zinc/39/53/13/738395313.db2.gz OCBFQYUBFFSTAR-RFGFWPKPSA-N 1 2 294.395 1.613 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001030889680 738544966 /nfs/dbraw/zinc/54/49/66/738544966.db2.gz XMXOUHQWRAWHOG-UHFFFAOYSA-N 1 2 258.365 1.832 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[C@@H](F)C1)CCO2 ZINC001053397149 738557266 /nfs/dbraw/zinc/55/72/66/738557266.db2.gz MHCPQNANUZBTRX-ZIAGYGMSSA-N 1 2 296.386 1.614 20 30 CDEDLO CC[N@@H+](Cc1ccncc1-c1nn[nH]n1)C[C@H](C)C#N ZINC001609225379 1164853592 /nfs/dbraw/zinc/85/35/92/1164853592.db2.gz ICRBMFIYZVNXFH-SNVBAGLBSA-N 1 2 271.328 1.243 20 30 CDEDLO CC[N@H+](Cc1ccncc1-c1nn[nH]n1)C[C@H](C)C#N ZINC001609225379 1164853595 /nfs/dbraw/zinc/85/35/95/1164853595.db2.gz ICRBMFIYZVNXFH-SNVBAGLBSA-N 1 2 271.328 1.243 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(C)nc3n[nH]c(C)c32)C1 ZINC001031101047 738589557 /nfs/dbraw/zinc/58/95/57/738589557.db2.gz 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N#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001016668395 738817193 /nfs/dbraw/zinc/81/71/93/738817193.db2.gz WJLZNDOVSSSVCD-YRGRVCCFSA-N 1 2 299.378 1.007 20 30 CDEDLO Cn1c(=O)[nH]cc(C(=O)C=Cc2cccc3[nH+]ccn32)c1=O ZINC000254971724 738826999 /nfs/dbraw/zinc/82/69/99/738826999.db2.gz DYKUAJISJLNMMG-WAYWQWQTSA-N 1 2 296.286 1.030 20 30 CDEDLO C#CCCCNc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000840268350 738834807 /nfs/dbraw/zinc/83/48/07/738834807.db2.gz LCRXMXJNKWKSJP-OLZOCXBDSA-N 1 2 274.368 1.509 20 30 CDEDLO C#CCCCNc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000840268350 738834809 /nfs/dbraw/zinc/83/48/09/738834809.db2.gz LCRXMXJNKWKSJP-OLZOCXBDSA-N 1 2 274.368 1.509 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccn(CC)c2C)C1 ZINC001030826207 738857434 /nfs/dbraw/zinc/85/74/34/738857434.db2.gz UGOYYUAFXFEKRI-UHFFFAOYSA-N 1 2 259.353 1.254 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ncoc1C(F)(F)F ZINC001038426530 738868814 /nfs/dbraw/zinc/86/88/14/738868814.db2.gz JMTXLQZDJQBJQO-MRVPVSSYSA-N 1 2 289.257 1.684 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncoc1C(F)(F)F ZINC001038426530 738868817 /nfs/dbraw/zinc/86/88/17/738868817.db2.gz JMTXLQZDJQBJQO-MRVPVSSYSA-N 1 2 289.257 1.684 20 30 CDEDLO C[C@@H](O)CN[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000814965314 738882372 /nfs/dbraw/zinc/88/23/72/738882372.db2.gz KKILSFJOJJFECT-LLVKDONJSA-N 1 2 251.330 1.574 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H]2CCN(C(=O)C=C3CCC3)C[C@H]21 ZINC001074212183 739080008 /nfs/dbraw/zinc/08/00/08/739080008.db2.gz LHCWAGHJYOFSQU-CABCVRRESA-N 1 2 276.380 1.584 20 30 CDEDLO C=CC[N@H+]1CCO[C@H]2CCN(C(=O)C=C3CCC3)C[C@H]21 ZINC001074212183 739080017 /nfs/dbraw/zinc/08/00/17/739080017.db2.gz LHCWAGHJYOFSQU-CABCVRRESA-N 1 2 276.380 1.584 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC001014365312 739097233 /nfs/dbraw/zinc/09/72/33/739097233.db2.gz ORYHQMFIQKBLMB-RKDXNWHRSA-N 1 2 264.703 1.585 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC001014365312 739097239 /nfs/dbraw/zinc/09/72/39/739097239.db2.gz ORYHQMFIQKBLMB-RKDXNWHRSA-N 1 2 264.703 1.585 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2ccon2)C1 ZINC001073540886 739097801 /nfs/dbraw/zinc/09/78/01/739097801.db2.gz BMSBFEGQJOCQRI-LLVKDONJSA-N 1 2 299.758 1.248 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2ccon2)C1 ZINC001073540886 739097806 /nfs/dbraw/zinc/09/78/06/739097806.db2.gz BMSBFEGQJOCQRI-LLVKDONJSA-N 1 2 299.758 1.248 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cnco3)cc2C1 ZINC001054276321 739133013 /nfs/dbraw/zinc/13/30/13/739133013.db2.gz VBJBZDIWHNVRLA-UHFFFAOYSA-N 1 2 281.315 1.553 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cnco3)cc2C1 ZINC001054276321 739133015 /nfs/dbraw/zinc/13/30/15/739133015.db2.gz VBJBZDIWHNVRLA-UHFFFAOYSA-N 1 2 281.315 1.553 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C\C3CC3)C[C@H]21 ZINC001074201468 739172610 /nfs/dbraw/zinc/17/26/10/739172610.db2.gz LRFHZWXFTLFWRQ-JBZXTQMFSA-N 1 2 276.380 1.440 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C\C3CC3)C[C@H]21 ZINC001074201468 739172618 /nfs/dbraw/zinc/17/26/18/739172618.db2.gz LRFHZWXFTLFWRQ-JBZXTQMFSA-N 1 2 276.380 1.440 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC1(C)C)O2 ZINC001053593017 736526399 /nfs/dbraw/zinc/52/63/99/736526399.db2.gz YTMQGPVEDRJXMC-UONOGXRCSA-N 1 2 292.423 1.958 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccn2C)C1 ZINC001035293562 736550685 /nfs/dbraw/zinc/55/06/85/736550685.db2.gz DESIYSLSTPASLK-ZDUSSCGKSA-N 1 2 277.368 1.032 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccn2C)C1 ZINC001035293562 736550690 /nfs/dbraw/zinc/55/06/90/736550690.db2.gz DESIYSLSTPASLK-ZDUSSCGKSA-N 1 2 277.368 1.032 20 30 CDEDLO C=C(C)CONC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000845596504 736674383 /nfs/dbraw/zinc/67/43/83/736674383.db2.gz XDQFCTWRCJKLDK-LLVKDONJSA-N 1 2 264.329 1.806 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2CCCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001050053812 736695232 /nfs/dbraw/zinc/69/52/32/736695232.db2.gz WRBYYJRAMGZYGL-AXFHLTTASA-N 1 2 292.276 1.443 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001050053812 736695253 /nfs/dbraw/zinc/69/52/53/736695253.db2.gz WRBYYJRAMGZYGL-AXFHLTTASA-N 1 2 292.276 1.443 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2coc(CCC)n2)C1 ZINC001031250224 736803392 /nfs/dbraw/zinc/80/33/92/736803392.db2.gz YUCOVCLTTQMACG-UHFFFAOYSA-N 1 2 263.341 1.617 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC001038749276 736829662 /nfs/dbraw/zinc/82/96/62/736829662.db2.gz BJPSAQDSTNIJFA-HNNXBMFYSA-N 1 2 281.359 1.995 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC001038749276 736829664 /nfs/dbraw/zinc/82/96/64/736829664.db2.gz BJPSAQDSTNIJFA-HNNXBMFYSA-N 1 2 281.359 1.995 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2OCCc3ccccc32)C1 ZINC001043505884 736838911 /nfs/dbraw/zinc/83/89/11/736838911.db2.gz IOBYHPKUEKSWEF-QGZVFWFLSA-N 1 2 298.386 1.466 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc(CC)s2)[C@@H]1C ZINC000994504167 736866996 /nfs/dbraw/zinc/86/69/96/736866996.db2.gz FNTZSIZKKWLIJO-RYUDHWBXSA-N 1 2 291.420 1.921 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc(CC)s2)[C@@H]1C ZINC000994504167 736866998 /nfs/dbraw/zinc/86/69/98/736866998.db2.gz FNTZSIZKKWLIJO-RYUDHWBXSA-N 1 2 291.420 1.921 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(CC)on2)C1 ZINC001035581114 736911097 /nfs/dbraw/zinc/91/10/97/736911097.db2.gz VCXKBXNPVLPABP-CYBMUJFWSA-N 1 2 293.367 1.244 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(CC)on2)C1 ZINC001035581114 736911105 /nfs/dbraw/zinc/91/11/05/736911105.db2.gz VCXKBXNPVLPABP-CYBMUJFWSA-N 1 2 293.367 1.244 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1(CC(C)C)CCC1 ZINC000884141348 737031774 /nfs/dbraw/zinc/03/17/74/737031774.db2.gz WYZLXVIATIAKQJ-ZDUSSCGKSA-N 1 2 296.411 1.766 20 30 CDEDLO Nc1ncc2c(n1)CCCC2=[NH+]NCCN1CCCCC1 ZINC000814808653 737054341 /nfs/dbraw/zinc/05/43/41/737054341.db2.gz QNPFEQGNRRHBAK-UHFFFAOYSA-N 1 2 288.399 1.175 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccnc2OCC)C1 ZINC001044251413 737054527 /nfs/dbraw/zinc/05/45/27/737054527.db2.gz CYIKLNDJGIPNAL-UHFFFAOYSA-N 1 2 287.363 1.260 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2sccc2C)C1 ZINC001035262000 737111685 /nfs/dbraw/zinc/11/16/85/737111685.db2.gz KXJGHVVPVMHAHV-LBPRGKRZSA-N 1 2 280.393 1.673 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2sccc2C)C1 ZINC001035262000 737111692 /nfs/dbraw/zinc/11/16/92/737111692.db2.gz KXJGHVVPVMHAHV-LBPRGKRZSA-N 1 2 280.393 1.673 20 30 CDEDLO CC(C)CN(CCC#N)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000847398499 737105375 /nfs/dbraw/zinc/10/53/75/737105375.db2.gz BZOVACMVJMOFMI-LBPRGKRZSA-N 1 2 262.357 1.987 20 30 CDEDLO CC(C)CN(CCC#N)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000847398499 737105377 /nfs/dbraw/zinc/10/53/77/737105377.db2.gz BZOVACMVJMOFMI-LBPRGKRZSA-N 1 2 262.357 1.987 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnn(C(C)(C)C)c2C)C1 ZINC001030402035 737128013 /nfs/dbraw/zinc/12/80/13/737128013.db2.gz JGKGJXZKJPVIGA-UHFFFAOYSA-N 1 2 288.395 1.384 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001030659999 737155057 /nfs/dbraw/zinc/15/50/57/737155057.db2.gz PLADAEMXXMOSEH-UHFFFAOYSA-N 1 2 284.363 1.861 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2csc(C)n2)C1 ZINC001035484447 737179290 /nfs/dbraw/zinc/17/92/90/737179290.db2.gz IOZSMSILJLCUKX-GFCCVEGCSA-N 1 2 295.408 1.458 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2csc(C)n2)C1 ZINC001035484447 737179313 /nfs/dbraw/zinc/17/93/13/737179313.db2.gz IOZSMSILJLCUKX-GFCCVEGCSA-N 1 2 295.408 1.458 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1CCC(CCC)CC1 ZINC000884103171 737214351 /nfs/dbraw/zinc/21/43/51/737214351.db2.gz BQZORHOZBAHAAU-RUXDESIVSA-N 1 2 296.411 1.908 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1nccnc1N ZINC001027800675 737220300 /nfs/dbraw/zinc/22/03/00/737220300.db2.gz XYSSMZIHIBYYJO-SNVBAGLBSA-N 1 2 295.774 1.006 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1nccnc1N ZINC001027800675 737220304 /nfs/dbraw/zinc/22/03/04/737220304.db2.gz XYSSMZIHIBYYJO-SNVBAGLBSA-N 1 2 295.774 1.006 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001031087362 737227615 /nfs/dbraw/zinc/22/76/15/737227615.db2.gz DRPAQLZWEKEHET-DLBZAZTESA-N 1 2 282.387 1.922 20 30 CDEDLO NC(=[NH+]OCCCO)c1ccc(Br)cc1 ZINC000782950037 737271406 /nfs/dbraw/zinc/27/14/06/737271406.db2.gz QPFXYBNQYCAPIN-UHFFFAOYSA-N 1 2 273.130 1.468 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2cccnc2n1 ZINC001038275477 737316763 /nfs/dbraw/zinc/31/67/63/737316763.db2.gz ILVXTJJTDWLVFW-CYBMUJFWSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2cccnc2n1 ZINC001038275477 737316768 /nfs/dbraw/zinc/31/67/68/737316768.db2.gz ILVXTJJTDWLVFW-CYBMUJFWSA-N 1 2 280.331 1.067 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001030664880 737336986 /nfs/dbraw/zinc/33/69/86/737336986.db2.gz QKJRMHJBWDZHPH-ZDUSSCGKSA-N 1 2 266.385 1.568 20 30 CDEDLO N#CCOc1cccc(CC(=O)NCCn2cc[nH+]c2)c1 ZINC000089738218 737360312 /nfs/dbraw/zinc/36/03/12/737360312.db2.gz GWISXVFRAUQZQC-UHFFFAOYSA-N 1 2 284.319 1.144 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C(C)(C)c2cc(C)ccn2)C1 ZINC001030516822 737375201 /nfs/dbraw/zinc/37/52/01/737375201.db2.gz HHAUWQVQSONLBS-UHFFFAOYSA-N 1 2 285.391 1.491 20 30 CDEDLO N#Cc1ccc(C(=O)OCC2CN(c3cccc[nH+]3)C2)o1 ZINC000842884474 737426343 /nfs/dbraw/zinc/42/63/43/737426343.db2.gz QJGDUECJCPCYLN-UHFFFAOYSA-N 1 2 283.287 1.839 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C(C)C)nc1C ZINC001038907173 737494002 /nfs/dbraw/zinc/49/40/02/737494002.db2.gz WOMMXYKATRKPRA-CYBMUJFWSA-N 1 2 274.368 1.210 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C(C)C)nc1C ZINC001038907173 737494014 /nfs/dbraw/zinc/49/40/14/737494014.db2.gz WOMMXYKATRKPRA-CYBMUJFWSA-N 1 2 274.368 1.210 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(COC)c1 ZINC001038473799 737531231 /nfs/dbraw/zinc/53/12/31/737531231.db2.gz QJCMHSBRLJTPOU-OAHLLOKOSA-N 1 2 272.348 1.270 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(COC)c1 ZINC001038473799 737531239 /nfs/dbraw/zinc/53/12/39/737531239.db2.gz QJCMHSBRLJTPOU-OAHLLOKOSA-N 1 2 272.348 1.270 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1cnc(C2OCCO2)s1 ZINC000809652287 737583145 /nfs/dbraw/zinc/58/31/45/737583145.db2.gz IPLOAGVQZYVRFC-UHFFFAOYSA-N 1 2 284.381 1.823 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1cnc(C2OCCO2)s1 ZINC000809652287 737583149 /nfs/dbraw/zinc/58/31/49/737583149.db2.gz IPLOAGVQZYVRFC-UHFFFAOYSA-N 1 2 284.381 1.823 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001014767620 737613520 /nfs/dbraw/zinc/61/35/20/737613520.db2.gz SHFBVRCLKSUQTE-JTQLQIEISA-N 1 2 294.786 1.453 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001014767620 737613525 /nfs/dbraw/zinc/61/35/25/737613525.db2.gz SHFBVRCLKSUQTE-JTQLQIEISA-N 1 2 294.786 1.453 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(F)cc2F)C1 ZINC001044253771 737770143 /nfs/dbraw/zinc/77/01/43/737770143.db2.gz XQGYNXFCXKYRCF-UHFFFAOYSA-N 1 2 278.302 1.744 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ncn(C)n2)CC[C@@H]1C ZINC001071487377 737785218 /nfs/dbraw/zinc/78/52/18/737785218.db2.gz IQNPWIYCLPXRND-QWRGUYRKSA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ncn(C)n2)CC[C@@H]1C ZINC001071487377 737785219 /nfs/dbraw/zinc/78/52/19/737785219.db2.gz IQNPWIYCLPXRND-QWRGUYRKSA-N 1 2 297.790 1.150 20 30 CDEDLO O=C(C#CC1CC1)NCc1ccccc1-n1cc[nH+]c1 ZINC000837510954 737787051 /nfs/dbraw/zinc/78/70/51/737787051.db2.gz IQIXMFNXVVXWKA-UHFFFAOYSA-N 1 2 265.316 1.902 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC001030778720 737816165 /nfs/dbraw/zinc/81/61/65/737816165.db2.gz GQKHDNNERJHWCS-UHFFFAOYSA-N 1 2 297.362 1.462 20 30 CDEDLO C[N@H+](CC(=O)Nc1cc(C#N)ccc1O)C1CCC1 ZINC000863893166 737827793 /nfs/dbraw/zinc/82/77/93/737827793.db2.gz JYUJRVRYJHLCQA-UHFFFAOYSA-N 1 2 259.309 1.687 20 30 CDEDLO C[N@@H+](CC(=O)Nc1cc(C#N)ccc1O)C1CCC1 ZINC000863893166 737827794 /nfs/dbraw/zinc/82/77/94/737827794.db2.gz JYUJRVRYJHLCQA-UHFFFAOYSA-N 1 2 259.309 1.687 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2ccn(C(C)C)n2)C1 ZINC001043408467 737828225 /nfs/dbraw/zinc/82/82/25/737828225.db2.gz OCFFHRNHMZIBRB-UHFFFAOYSA-N 1 2 290.411 1.725 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1C/C=C\Cl ZINC001038800002 737844237 /nfs/dbraw/zinc/84/42/37/737844237.db2.gz YWUVHESBTNPICW-UJKNTZMSSA-N 1 2 298.814 1.911 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1C/C=C\Cl ZINC001038800002 737844242 /nfs/dbraw/zinc/84/42/42/737844242.db2.gz YWUVHESBTNPICW-UJKNTZMSSA-N 1 2 298.814 1.911 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC1(C)C)CO2 ZINC001053781205 737878493 /nfs/dbraw/zinc/87/84/93/737878493.db2.gz GAKNGMIMDLUKAW-OLZOCXBDSA-N 1 2 276.380 1.015 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)C[C@@](C)(CC)C1=O)[C@@H](C)COC ZINC000853535708 737930220 /nfs/dbraw/zinc/93/02/20/737930220.db2.gz ZZBKLBXRKQYWSP-SWLSCSKDSA-N 1 2 282.384 1.642 20 30 CDEDLO C=CC[N@H+](CN1C(=O)C[C@@](C)(CC)C1=O)[C@@H](C)COC ZINC000853535708 737930224 /nfs/dbraw/zinc/93/02/24/737930224.db2.gz ZZBKLBXRKQYWSP-SWLSCSKDSA-N 1 2 282.384 1.642 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2cc(C(C)C)no2)C1 ZINC001031048196 737953903 /nfs/dbraw/zinc/95/39/03/737953903.db2.gz FMGQSPSIIFCKSB-UHFFFAOYSA-N 1 2 263.341 1.788 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(C3CC3)nn2CC)C1 ZINC001030495567 737956719 /nfs/dbraw/zinc/95/67/19/737956719.db2.gz RTFMBNFSEYXMRY-UHFFFAOYSA-N 1 2 288.395 1.771 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2CC)C1 ZINC001015058105 737958793 /nfs/dbraw/zinc/95/87/93/737958793.db2.gz LZJLJUIUTQDHJS-JTQLQIEISA-N 1 2 282.775 1.529 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2CC)C1 ZINC001015058105 737958795 /nfs/dbraw/zinc/95/87/95/737958795.db2.gz LZJLJUIUTQDHJS-JTQLQIEISA-N 1 2 282.775 1.529 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCOC2)C1 ZINC001046191302 738062273 /nfs/dbraw/zinc/06/22/73/738062273.db2.gz XNOBXOWQBVCDKK-TZMCWYRMSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCOC2)C1 ZINC001046191302 738062279 /nfs/dbraw/zinc/06/22/79/738062279.db2.gz XNOBXOWQBVCDKK-TZMCWYRMSA-N 1 2 286.803 1.746 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](CC=C(C)C)C2)cn1 ZINC001031275804 738106098 /nfs/dbraw/zinc/10/60/98/738106098.db2.gz XUFWEJOVJPYYGG-UHFFFAOYSA-N 1 2 269.348 1.443 20 30 CDEDLO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1C[C@H](O)CC#N ZINC000930255944 738194625 /nfs/dbraw/zinc/19/46/25/738194625.db2.gz MAJFMYXMUHXUFZ-QWHCGFSZSA-N 1 2 277.343 1.611 20 30 CDEDLO C[C@H]1CN(c2ccccc2F)CC[N@H+]1C[C@H](O)CC#N ZINC000930255944 738194626 /nfs/dbraw/zinc/19/46/26/738194626.db2.gz MAJFMYXMUHXUFZ-QWHCGFSZSA-N 1 2 277.343 1.611 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCCCC1 ZINC001032604119 738194630 /nfs/dbraw/zinc/19/46/30/738194630.db2.gz QAGVKKJBRVWXQD-KBPBESRZSA-N 1 2 260.381 1.875 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCCCC1 ZINC001032604119 738194631 /nfs/dbraw/zinc/19/46/31/738194631.db2.gz QAGVKKJBRVWXQD-KBPBESRZSA-N 1 2 260.381 1.875 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2ccc(CC)cc2)C1 ZINC001031026770 738212343 /nfs/dbraw/zinc/21/23/43/738212343.db2.gz AGHLVXJOLASPAD-UHFFFAOYSA-N 1 2 258.365 1.778 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2cnc3ccccc3c2O)C1 ZINC001030597810 738332196 /nfs/dbraw/zinc/33/21/96/738332196.db2.gz ZBABFSFIGSYUJS-UHFFFAOYSA-N 1 2 297.358 1.518 20 30 CDEDLO C#CCC(C)(C)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000827445694 738970924 /nfs/dbraw/zinc/97/09/24/738970924.db2.gz VUUAFNAWBKVJQL-UHFFFAOYSA-N 1 2 291.439 1.274 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(NC(C)=O)cc1 ZINC001032748880 739000257 /nfs/dbraw/zinc/00/02/57/739000257.db2.gz GZKPHJHKPYQRRJ-HOTGVXAUSA-N 1 2 297.358 1.177 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(NC(C)=O)cc1 ZINC001032748880 739000263 /nfs/dbraw/zinc/00/02/63/739000263.db2.gz GZKPHJHKPYQRRJ-HOTGVXAUSA-N 1 2 297.358 1.177 20 30 CDEDLO C=CC(C)(C)CC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000878880449 739018210 /nfs/dbraw/zinc/01/82/10/739018210.db2.gz ZMXHEQRCTXZWQF-ZDUSSCGKSA-N 1 2 267.417 1.341 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)cc(OC)c1 ZINC001038832996 739020929 /nfs/dbraw/zinc/02/09/29/739020929.db2.gz GXKYSFSINQHONG-CYBMUJFWSA-N 1 2 292.766 1.786 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)cc(OC)c1 ZINC001038832996 739020930 /nfs/dbraw/zinc/02/09/30/739020930.db2.gz GXKYSFSINQHONG-CYBMUJFWSA-N 1 2 292.766 1.786 20 30 CDEDLO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]nc2ccccc21 ZINC001032761618 739028688 /nfs/dbraw/zinc/02/86/88/739028688.db2.gz BNKUKRUQQCWHOY-STQMWFEESA-N 1 2 294.358 1.485 20 30 CDEDLO C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]nc2ccccc21 ZINC001032761618 739028693 /nfs/dbraw/zinc/02/86/93/739028693.db2.gz BNKUKRUQQCWHOY-STQMWFEESA-N 1 2 294.358 1.485 20 30 CDEDLO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001006947457 739030528 /nfs/dbraw/zinc/03/05/28/739030528.db2.gz ZCTUIANKFMUEDC-ZDUSSCGKSA-N 1 2 276.384 1.797 20 30 CDEDLO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001006947457 739030533 /nfs/dbraw/zinc/03/05/33/739030533.db2.gz ZCTUIANKFMUEDC-ZDUSSCGKSA-N 1 2 276.384 1.797 20 30 CDEDLO CCCCCCCS(=O)(=O)N1CC[NH+](CC)CC1 ZINC000195032334 739049248 /nfs/dbraw/zinc/04/92/48/739049248.db2.gz LTDUDVYPNIQFED-UHFFFAOYSA-N 1 2 276.446 1.924 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]1OC ZINC001017675802 739066783 /nfs/dbraw/zinc/06/67/83/739066783.db2.gz KWPRDAGHXSHWBW-QKPAOTATSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]1OC ZINC001017675802 739066787 /nfs/dbraw/zinc/06/67/87/739066787.db2.gz KWPRDAGHXSHWBW-QKPAOTATSA-N 1 2 290.407 1.500 20 30 CDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cncnc2)CC1 ZINC001004413512 739078473 /nfs/dbraw/zinc/07/84/73/739078473.db2.gz LJZNKGNPAGQDPT-HNNXBMFYSA-N 1 2 299.378 1.317 20 30 CDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cncnc2)CC1 ZINC001004413512 739078476 /nfs/dbraw/zinc/07/84/76/739078476.db2.gz LJZNKGNPAGQDPT-HNNXBMFYSA-N 1 2 299.378 1.317 20 30 CDEDLO C#C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000886142830 739093990 /nfs/dbraw/zinc/09/39/90/739093990.db2.gz LWIHHVNEGRBBGQ-RYUDHWBXSA-N 1 2 261.281 1.260 20 30 CDEDLO C#CC[C@@H]1CCN(c2cc(CC(=O)OC)cc[nH+]2)C1 ZINC000884595160 739099237 /nfs/dbraw/zinc/09/92/37/739099237.db2.gz AMRLCZSAEIDJMA-GFCCVEGCSA-N 1 2 258.321 1.647 20 30 CDEDLO C=CCC1(O)CCN(c2cc(NC[C@@H](C)O)[nH+]cn2)CC1 ZINC000884723953 739207072 /nfs/dbraw/zinc/20/70/72/739207072.db2.gz DZOOYRYHYCEGNG-GFCCVEGCSA-N 1 2 292.383 1.177 20 30 CDEDLO C=CCC1(O)CCN(c2cc(NC[C@@H](C)O)nc[nH+]2)CC1 ZINC000884723953 739207077 /nfs/dbraw/zinc/20/70/77/739207077.db2.gz DZOOYRYHYCEGNG-GFCCVEGCSA-N 1 2 292.383 1.177 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccoc2C)C1 ZINC001035282998 739212739 /nfs/dbraw/zinc/21/27/39/739212739.db2.gz JWNPGOTUVUKASV-ZDUSSCGKSA-N 1 2 276.336 1.042 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccoc2C)C1 ZINC001035282998 739212746 /nfs/dbraw/zinc/21/27/46/739212746.db2.gz JWNPGOTUVUKASV-ZDUSSCGKSA-N 1 2 276.336 1.042 20 30 CDEDLO N#Cc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)cs1 ZINC001628140552 1166044968 /nfs/dbraw/zinc/04/49/68/1166044968.db2.gz LVLJXMBDKVQIPL-UHFFFAOYSA-N 1 2 258.306 1.513 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccn(CC)n2)[C@H]1C ZINC001088898563 912223539 /nfs/dbraw/zinc/22/35/39/912223539.db2.gz KWVXLPABYUBJAA-NEPJUHHUSA-N 1 2 296.802 1.848 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccn(CC)n2)[C@H]1C ZINC001088898563 912223554 /nfs/dbraw/zinc/22/35/54/912223554.db2.gz KWVXLPABYUBJAA-NEPJUHHUSA-N 1 2 296.802 1.848 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc3c2CCOC3)C1 ZINC001030661616 912373674 /nfs/dbraw/zinc/37/36/74/912373674.db2.gz GELNREIUBPBQAS-UHFFFAOYSA-N 1 2 286.375 1.749 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnn1C)C2 ZINC001095228944 912647990 /nfs/dbraw/zinc/64/79/90/912647990.db2.gz CVFJWMXIISBTMJ-WOPDTQHZSA-N 1 2 294.786 1.508 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnn1C)C2 ZINC001095228944 912648000 /nfs/dbraw/zinc/64/80/00/912648000.db2.gz CVFJWMXIISBTMJ-WOPDTQHZSA-N 1 2 294.786 1.508 20 30 CDEDLO C#Cc1cc(Nc2cccc(C(=O)NC)c2)cc[nH+]1 ZINC001174138051 912999231 /nfs/dbraw/zinc/99/92/31/912999231.db2.gz OCZPWLORIZEHAC-UHFFFAOYSA-N 1 2 251.289 1.588 20 30 CDEDLO CN(C)c1ccc(Nc2c(C#N)cnc3ccnn32)c[nH+]1 ZINC001175341423 913522191 /nfs/dbraw/zinc/52/21/91/913522191.db2.gz QNWHZGZRQRKFPO-UHFFFAOYSA-N 1 2 279.307 1.806 20 30 CDEDLO CC#CCN1CC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001038255332 897358343 /nfs/dbraw/zinc/35/83/43/897358343.db2.gz VVCVLDQRSBDKLV-OAHLLOKOSA-N 1 2 296.374 1.470 20 30 CDEDLO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1scnc1CC ZINC001024472491 898074018 /nfs/dbraw/zinc/07/40/18/898074018.db2.gz UPBVOAPKDNBOGK-LBPRGKRZSA-N 1 2 291.420 1.923 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1scnc1CC ZINC001024472491 898074026 /nfs/dbraw/zinc/07/40/26/898074026.db2.gz UPBVOAPKDNBOGK-LBPRGKRZSA-N 1 2 291.420 1.923 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1-c1ccc(N)c(C#N)c1 ZINC001213427505 898671238 /nfs/dbraw/zinc/67/12/38/898671238.db2.gz ZVVVREZVHHEFPO-UHFFFAOYSA-N 1 2 271.280 1.085 20 30 CDEDLO C[C@@H](C#N)N(C)C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176966039 914404324 /nfs/dbraw/zinc/40/43/24/914404324.db2.gz WLGFHTXEULOZJK-QWHCGFSZSA-N 1 2 272.352 1.668 20 30 CDEDLO C#CCCCCC(=O)NCC[NH2+]Cc1nc(C(C)C)no1 ZINC001125934933 900040720 /nfs/dbraw/zinc/04/07/20/900040720.db2.gz LVHHRHKAXOZXKR-UHFFFAOYSA-N 1 2 292.383 1.592 20 30 CDEDLO CC(C)C#CC(=O)N1CC[C@@H]2OCC[N@H+](CCCF)[C@H]2C1 ZINC001177019849 914436324 /nfs/dbraw/zinc/43/63/24/914436324.db2.gz STBONVGJTXSQPA-GJZGRUSLSA-N 1 2 296.386 1.307 20 30 CDEDLO CC(C)C#CC(=O)N1CC[C@@H]2OCC[N@@H+](CCCF)[C@H]2C1 ZINC001177019849 914436338 /nfs/dbraw/zinc/43/63/38/914436338.db2.gz STBONVGJTXSQPA-GJZGRUSLSA-N 1 2 296.386 1.307 20 30 CDEDLO C#CCCCC(=O)NCC[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001126332596 901549257 /nfs/dbraw/zinc/54/92/57/901549257.db2.gz JBXMENADLTYFEW-UHFFFAOYSA-N 1 2 292.383 1.376 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCC2(C#N)CCC2)C1 ZINC001414671165 914667840 /nfs/dbraw/zinc/66/78/40/914667840.db2.gz JGIHZHZJSNYOFV-LBPRGKRZSA-N 1 2 287.367 1.613 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2cnc(COC)s2)C1 ZINC001031488781 914670944 /nfs/dbraw/zinc/67/09/44/914670944.db2.gz AQOCNDADIQULIY-UHFFFAOYSA-N 1 2 281.381 1.280 20 30 CDEDLO Cc1cnc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C)C#N)C3)cn1 ZINC001110401907 921179472 /nfs/dbraw/zinc/17/94/72/921179472.db2.gz QRTMREMAEPWFGA-QZKOUSHUSA-N 1 2 299.378 1.166 20 30 CDEDLO Cc1cnc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C)C#N)C3)cn1 ZINC001110401907 921179478 /nfs/dbraw/zinc/17/94/78/921179478.db2.gz QRTMREMAEPWFGA-QZKOUSHUSA-N 1 2 299.378 1.166 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncccn2)[C@H]1CC ZINC001087770220 905834974 /nfs/dbraw/zinc/83/49/74/905834974.db2.gz SUHJFRONXDDRND-NWDGAFQWSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncccn2)[C@H]1CC ZINC001087770220 905834981 /nfs/dbraw/zinc/83/49/81/905834981.db2.gz SUHJFRONXDDRND-NWDGAFQWSA-N 1 2 294.786 1.812 20 30 CDEDLO Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C)C#N)C3)ncn1 ZINC001110402045 921184836 /nfs/dbraw/zinc/18/48/36/921184836.db2.gz VVGRRDXVCBFOLB-QZKOUSHUSA-N 1 2 299.378 1.166 20 30 CDEDLO Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C)C#N)C3)ncn1 ZINC001110402045 921184839 /nfs/dbraw/zinc/18/48/39/921184839.db2.gz VVGRRDXVCBFOLB-QZKOUSHUSA-N 1 2 299.378 1.166 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CCC2)[C@H](O)C1 ZINC001089998129 921304049 /nfs/dbraw/zinc/30/40/49/921304049.db2.gz UQCROQIOOHQLAH-NWDGAFQWSA-N 1 2 272.776 1.090 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CCC2)[C@H](O)C1 ZINC001089998129 921304051 /nfs/dbraw/zinc/30/40/51/921304051.db2.gz UQCROQIOOHQLAH-NWDGAFQWSA-N 1 2 272.776 1.090 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)F)[C@@H](O)C1 ZINC001090001366 921306205 /nfs/dbraw/zinc/30/62/05/921306205.db2.gz NGUJDXZIUJAOTQ-UWVGGRQHSA-N 1 2 278.755 1.038 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)F)[C@@H](O)C1 ZINC001090001366 921306206 /nfs/dbraw/zinc/30/62/06/921306206.db2.gz NGUJDXZIUJAOTQ-UWVGGRQHSA-N 1 2 278.755 1.038 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@H]1OC ZINC001211997458 908223784 /nfs/dbraw/zinc/22/37/84/908223784.db2.gz VTFCOOFEFWFFDQ-ZIAGYGMSSA-N 1 2 293.367 1.265 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@H]1OC ZINC001211997458 908223801 /nfs/dbraw/zinc/22/38/01/908223801.db2.gz VTFCOOFEFWFFDQ-ZIAGYGMSSA-N 1 2 293.367 1.265 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C=C1CCC1)c1nccn12 ZINC001092361075 909372152 /nfs/dbraw/zinc/37/21/52/909372152.db2.gz ANHLKSZCSLNOCO-AWEZNQCLSA-N 1 2 298.390 1.751 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2csc(C)c2C)[C@@H](O)C1 ZINC001083488841 909429893 /nfs/dbraw/zinc/42/98/93/909429893.db2.gz ABZPGRHTEYDWTN-KGLIPLIRSA-N 1 2 292.404 1.163 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2csc(C)c2C)[C@@H](O)C1 ZINC001083488841 909429899 /nfs/dbraw/zinc/42/98/99/909429899.db2.gz ABZPGRHTEYDWTN-KGLIPLIRSA-N 1 2 292.404 1.163 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001093534148 909914154 /nfs/dbraw/zinc/91/41/54/909914154.db2.gz IYCWERYVUYPZQA-UHFFFAOYSA-N 1 2 288.391 1.278 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C3(C)CC3)CC2)C1 ZINC001093537860 909929597 /nfs/dbraw/zinc/92/95/97/909929597.db2.gz OQVNSSXZERSXCF-UHFFFAOYSA-N 1 2 278.396 1.664 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCCCNc1cc[nH+]c(C)n1 ZINC001094354770 910549190 /nfs/dbraw/zinc/54/91/90/910549190.db2.gz HZQGZIIRZYUPMK-LBPRGKRZSA-N 1 2 292.383 1.684 20 30 CDEDLO C#CCC1(C(=O)NCCCNc2cc[nH+]c(C)n2)CCC1 ZINC001094616849 910712202 /nfs/dbraw/zinc/71/22/02/910712202.db2.gz WNRLVCWFPSFMQB-UHFFFAOYSA-N 1 2 286.379 1.897 20 30 CDEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2c1cc[nH+]c(OC)c1 ZINC001273586020 921624672 /nfs/dbraw/zinc/62/46/72/921624672.db2.gz WRUWPDVRLIVPCG-ZIAGYGMSSA-N 1 2 287.363 1.846 20 30 CDEDLO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(F)cc1C#N ZINC000698194068 911380249 /nfs/dbraw/zinc/38/02/49/911380249.db2.gz KZGFLXHIPFAGEC-UONOGXRCSA-N 1 2 264.300 1.015 20 30 CDEDLO C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1ccc(F)cc1C#N ZINC000698194068 911380257 /nfs/dbraw/zinc/38/02/57/911380257.db2.gz KZGFLXHIPFAGEC-UONOGXRCSA-N 1 2 264.300 1.015 20 30 CDEDLO O=C1C=C2C[N@H+](C3C[C@@H]4C=C[C@H](C3)O4)CC[C@H]2S1 ZINC001172238793 911497003 /nfs/dbraw/zinc/49/70/03/911497003.db2.gz RRHQBKYRYKFSBY-PSEXLTFBSA-N 1 2 263.362 1.747 20 30 CDEDLO O=C1C=C2C[N@@H+](C3C[C@@H]4C=C[C@H](C3)O4)CC[C@H]2S1 ZINC001172238793 911497021 /nfs/dbraw/zinc/49/70/21/911497021.db2.gz RRHQBKYRYKFSBY-PSEXLTFBSA-N 1 2 263.362 1.747 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)cs2)[C@@H](O)C1 ZINC001083830473 921761898 /nfs/dbraw/zinc/76/18/98/921761898.db2.gz REYISRKUBWIYJX-ZJUUUORDSA-N 1 2 286.784 1.362 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)cs2)[C@@H](O)C1 ZINC001083830473 921761909 /nfs/dbraw/zinc/76/19/09/921761909.db2.gz REYISRKUBWIYJX-ZJUUUORDSA-N 1 2 286.784 1.362 20 30 CDEDLO C=CCCCC(=O)N(C)C[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001124695024 936332123 /nfs/dbraw/zinc/33/21/23/936332123.db2.gz URFQFSCVTSAUCI-ZDUSSCGKSA-N 1 2 292.383 1.373 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC[NH2+]Cc1nc(-c2ccccc2)no1 ZINC001124903276 936342898 /nfs/dbraw/zinc/34/28/98/936342898.db2.gz QDYZLDNCXPPCAL-NSHDSACASA-N 1 2 299.334 1.102 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1nccs1)CCO2 ZINC001053481612 936413619 /nfs/dbraw/zinc/41/36/19/936413619.db2.gz OMKXKLAGVPWHFB-UHFFFAOYSA-N 1 2 293.392 1.246 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C(C)C)CO2 ZINC001053740881 936419791 /nfs/dbraw/zinc/41/97/91/936419791.db2.gz VRHAUNYEGJOAGS-LBPRGKRZSA-N 1 2 252.358 1.178 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001124487894 917398434 /nfs/dbraw/zinc/39/84/34/917398434.db2.gz HZDOZCAKHKASQZ-MNOVXSKESA-N 1 2 298.412 1.286 20 30 CDEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C=C3CCC3)nn2)C1 ZINC001107158867 918228403 /nfs/dbraw/zinc/22/84/03/918228403.db2.gz CPXSLNUMSIEMGC-UHFFFAOYSA-N 1 2 287.367 1.047 20 30 CDEDLO C=CC[C@@](C)(NC(=O)CCc1ccc(N)[nH+]c1)C(=O)OC ZINC001183939333 918757450 /nfs/dbraw/zinc/75/74/50/918757450.db2.gz LVDRXGJRGJXJGX-OAHLLOKOSA-N 1 2 291.351 1.220 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(C)sn2)C1 ZINC001107902571 919031090 /nfs/dbraw/zinc/03/10/90/919031090.db2.gz JSXSGRRUTABFMK-CQSZACIVSA-N 1 2 295.408 1.458 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(C)sn2)C1 ZINC001107902571 919031102 /nfs/dbraw/zinc/03/11/02/919031102.db2.gz JSXSGRRUTABFMK-CQSZACIVSA-N 1 2 295.408 1.458 20 30 CDEDLO C=CC(C)(C)CC(=O)NC[C@@]1(C)C[N@H+](CC#CC)CCO1 ZINC001107970566 919356609 /nfs/dbraw/zinc/35/66/09/919356609.db2.gz CLCYRTFGWGHRPP-KRWDZBQOSA-N 1 2 292.423 1.819 20 30 CDEDLO C=CC(C)(C)CC(=O)NC[C@@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001107970566 919356623 /nfs/dbraw/zinc/35/66/23/919356623.db2.gz CLCYRTFGWGHRPP-KRWDZBQOSA-N 1 2 292.423 1.819 20 30 CDEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001185071295 919410305 /nfs/dbraw/zinc/41/03/05/919410305.db2.gz RTZLLLIZGFQQQQ-VXGBXAGGSA-N 1 2 294.424 1.831 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC ZINC001110369075 919745163 /nfs/dbraw/zinc/74/51/63/919745163.db2.gz WTULLNWUNYCLTO-MCIONIFRSA-N 1 2 293.411 1.200 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC ZINC001110369075 919745168 /nfs/dbraw/zinc/74/51/68/919745168.db2.gz WTULLNWUNYCLTO-MCIONIFRSA-N 1 2 293.411 1.200 20 30 CDEDLO C[C@@H](C#N)S(=O)(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000715677693 920015626 /nfs/dbraw/zinc/01/56/26/920015626.db2.gz CWQBJFKEOAXFBL-GXTWGEPZSA-N 1 2 293.392 1.092 20 30 CDEDLO C[C@@H](C#N)S(=O)(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000715677693 920015638 /nfs/dbraw/zinc/01/56/38/920015638.db2.gz CWQBJFKEOAXFBL-GXTWGEPZSA-N 1 2 293.392 1.092 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(COC)cc1 ZINC001032775838 920027887 /nfs/dbraw/zinc/02/78/87/920027887.db2.gz HFXZMNIYKWFDBY-IRXDYDNUSA-N 1 2 298.386 1.755 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(COC)cc1 ZINC001032775838 920027895 /nfs/dbraw/zinc/02/78/95/920027895.db2.gz HFXZMNIYKWFDBY-IRXDYDNUSA-N 1 2 298.386 1.755 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)onc1CC ZINC001032778412 920042019 /nfs/dbraw/zinc/04/20/19/920042019.db2.gz RIVFEMQAXSSSST-RYUDHWBXSA-N 1 2 275.352 1.630 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)onc1CC ZINC001032778412 920042033 /nfs/dbraw/zinc/04/20/33/920042033.db2.gz RIVFEMQAXSSSST-RYUDHWBXSA-N 1 2 275.352 1.630 20 30 CDEDLO C=CCn1cc(CN2CC[NH+](Cc3ccccn3)CC2)cn1 ZINC001139769530 936645119 /nfs/dbraw/zinc/64/51/19/936645119.db2.gz IACLNLDXTMYFOT-UHFFFAOYSA-N 1 2 297.406 1.782 20 30 CDEDLO C=CCn1cc(CN2CC([N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)cn1 ZINC001139774324 936645756 /nfs/dbraw/zinc/64/57/56/936645756.db2.gz AROSYWUDVXHQIY-OKILXGFUSA-N 1 2 290.411 1.363 20 30 CDEDLO C=CCn1cc(CN2CC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)cn1 ZINC001139774324 936645757 /nfs/dbraw/zinc/64/57/57/936645757.db2.gz AROSYWUDVXHQIY-OKILXGFUSA-N 1 2 290.411 1.363 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH]nc2CC)C1 ZINC001033221021 922074437 /nfs/dbraw/zinc/07/44/37/922074437.db2.gz OEPHTBUDQUSLSZ-LLVKDONJSA-N 1 2 296.802 1.871 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]nc2CC)C1 ZINC001033221021 922074452 /nfs/dbraw/zinc/07/44/52/922074452.db2.gz OEPHTBUDQUSLSZ-LLVKDONJSA-N 1 2 296.802 1.871 20 30 CDEDLO CN(C)C(=O)C1C[NH+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140601656 936729706 /nfs/dbraw/zinc/72/97/06/936729706.db2.gz XHWNHAWSWFUUGN-UHFFFAOYSA-N 1 2 277.755 1.732 20 30 CDEDLO C=CCC1(S(=O)(=O)NCc2c[nH+]cn2CCF)CC1 ZINC001190844018 922245835 /nfs/dbraw/zinc/24/58/35/922245835.db2.gz WHCQFCJOQQTDMV-UHFFFAOYSA-N 1 2 287.360 1.381 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](CCC)OC)C1 ZINC001108114998 922484173 /nfs/dbraw/zinc/48/41/73/922484173.db2.gz 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/nfs/dbraw/zinc/99/29/24/922992924.db2.gz PHRWABUBSCOWAZ-UHFFFAOYSA-N 1 2 295.346 1.936 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)c(C)s2)C1 ZINC001035603446 923009216 /nfs/dbraw/zinc/00/92/16/923009216.db2.gz UPJVQAULJXLVSZ-CYBMUJFWSA-N 1 2 294.420 1.982 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(C)c(C)s2)C1 ZINC001035603446 923009229 /nfs/dbraw/zinc/00/92/29/923009229.db2.gz UPJVQAULJXLVSZ-CYBMUJFWSA-N 1 2 294.420 1.982 20 30 CDEDLO C#CCOc1ccc(CNC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000836868748 936806791 /nfs/dbraw/zinc/80/67/91/936806791.db2.gz FBZZBWPOGJSHNQ-UHFFFAOYSA-N 1 2 283.331 1.671 20 30 CDEDLO C[C@@H](C#N)S(=O)(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001193146981 923492271 /nfs/dbraw/zinc/49/22/71/923492271.db2.gz VLXOUBHFBSFOJV-NSHDSACASA-N 1 2 290.348 1.585 20 30 CDEDLO N#Cc1cccc(C(=O)N(CC[NH3+])c2cccnc2)c1O ZINC001193657659 923844638 /nfs/dbraw/zinc/84/46/38/923844638.db2.gz AMZYMKUAFOJPDD-UHFFFAOYSA-N 1 2 282.303 1.264 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(C)CC=CC2)C1 ZINC001108184693 923921676 /nfs/dbraw/zinc/92/16/76/923921676.db2.gz VWIJTYFPGDZAAT-QGZVFWFLSA-N 1 2 290.407 1.573 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2(C)CC=CC2)C1 ZINC001108184693 923921687 /nfs/dbraw/zinc/92/16/87/923921687.db2.gz VWIJTYFPGDZAAT-QGZVFWFLSA-N 1 2 290.407 1.573 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2C(C)=O)C1 ZINC000923576688 923951072 /nfs/dbraw/zinc/95/10/72/923951072.db2.gz MDNQTWXSYYVKEI-AWEZNQCLSA-N 1 2 284.359 1.717 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C(C)=O)C1 ZINC000923576688 923951081 /nfs/dbraw/zinc/95/10/81/923951081.db2.gz MDNQTWXSYYVKEI-AWEZNQCLSA-N 1 2 284.359 1.717 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)CCC)CC1 ZINC001195372339 924572779 /nfs/dbraw/zinc/57/27/79/924572779.db2.gz CHVOIZSVTMSYRK-CQSZACIVSA-N 1 2 295.427 1.259 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)CCC)CC1 ZINC001195372339 924572785 /nfs/dbraw/zinc/57/27/85/924572785.db2.gz CHVOIZSVTMSYRK-CQSZACIVSA-N 1 2 295.427 1.259 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccnn2)C1 ZINC001080656052 924612621 /nfs/dbraw/zinc/61/26/21/924612621.db2.gz QGKYXNDASMSVFC-BXKDBHETSA-N 1 2 280.759 1.279 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccnn2)C1 ZINC001080656052 924612625 /nfs/dbraw/zinc/61/26/25/924612625.db2.gz QGKYXNDASMSVFC-BXKDBHETSA-N 1 2 280.759 1.279 20 30 CDEDLO Cc1nc(N2CC[C@H](CNC(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001100977884 936951245 /nfs/dbraw/zinc/95/12/45/936951245.db2.gz ZOOZUYSNGFMTCV-CQSZACIVSA-N 1 2 286.379 1.387 20 30 CDEDLO C=C(C)C[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001082524763 924953627 /nfs/dbraw/zinc/95/36/27/924953627.db2.gz JXWLCFOTEHGFSF-OPRDCNLKSA-N 1 2 282.281 1.899 20 30 CDEDLO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C ZINC001082524763 924953641 /nfs/dbraw/zinc/95/36/41/924953641.db2.gz JXWLCFOTEHGFSF-OPRDCNLKSA-N 1 2 282.281 1.899 20 30 CDEDLO C=CCCCC(=O)N1CCC[N@@H+](Cc2cncn2C)CC1 ZINC001196984814 925025717 /nfs/dbraw/zinc/02/57/17/925025717.db2.gz 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C=CCCOCC(=O)N1CCC[N@@H+](CCF)CC1 ZINC001198324640 925397351 /nfs/dbraw/zinc/39/73/51/925397351.db2.gz VACUDEJYNZARAI-UHFFFAOYSA-N 1 2 258.337 1.083 20 30 CDEDLO C=CCCOCC(=O)N1CCC[N@H+](CCF)CC1 ZINC001198324640 925397362 /nfs/dbraw/zinc/39/73/62/925397362.db2.gz VACUDEJYNZARAI-UHFFFAOYSA-N 1 2 258.337 1.083 20 30 CDEDLO C#Cc1ccc(C(=O)N(C)CCNc2cc[nH+]c(C)n2)nc1 ZINC001101709282 937003286 /nfs/dbraw/zinc/00/32/86/937003286.db2.gz ZHRRBPFZVGWBIY-UHFFFAOYSA-N 1 2 295.346 1.345 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(OC)ns1 ZINC001085601806 926200465 /nfs/dbraw/zinc/20/04/65/926200465.db2.gz HENHJMGLYKUCJM-JTQLQIEISA-N 1 2 281.381 1.484 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(OC)ns1 ZINC001085601806 926200471 /nfs/dbraw/zinc/20/04/71/926200471.db2.gz HENHJMGLYKUCJM-JTQLQIEISA-N 1 2 281.381 1.484 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(F)cncc1F ZINC001085621140 926222627 /nfs/dbraw/zinc/22/26/27/926222627.db2.gz IDPYTVLOECYAFN-LLVKDONJSA-N 1 2 293.317 1.529 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(F)cncc1F ZINC001085621140 926222635 /nfs/dbraw/zinc/22/26/35/926222635.db2.gz IDPYTVLOECYAFN-LLVKDONJSA-N 1 2 293.317 1.529 20 30 CDEDLO Cc1cc(NS(=O)(=O)c2ccc(C)c(C#N)c2)cc[nH+]1 ZINC001201287926 926240800 /nfs/dbraw/zinc/24/08/00/926240800.db2.gz OQBJJADJDGYCRA-UHFFFAOYSA-N 1 2 287.344 1.793 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nccc2cccnc21 ZINC001085646643 926245551 /nfs/dbraw/zinc/24/55/51/926245551.db2.gz LFUSBGRFNRKKRA-AWEZNQCLSA-N 1 2 294.358 1.409 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nccc2cccnc21 ZINC001085646643 926245557 /nfs/dbraw/zinc/24/55/57/926245557.db2.gz LFUSBGRFNRKKRA-AWEZNQCLSA-N 1 2 294.358 1.409 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2cc[nH]c2n1 ZINC001085656527 926253141 /nfs/dbraw/zinc/25/31/41/926253141.db2.gz SJEXDZUMGLEILI-CYBMUJFWSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2cc[nH]c2n1 ZINC001085656527 926253151 /nfs/dbraw/zinc/25/31/51/926253151.db2.gz SJEXDZUMGLEILI-CYBMUJFWSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2[nH]ccc2n1 ZINC001085720958 926325870 /nfs/dbraw/zinc/32/58/70/926325870.db2.gz JAILFMDWPQVPTG-LBPRGKRZSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2[nH]ccc2n1 ZINC001085720958 926325875 /nfs/dbraw/zinc/32/58/75/926325875.db2.gz JAILFMDWPQVPTG-LBPRGKRZSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(F)c1F ZINC001085789727 926400674 /nfs/dbraw/zinc/40/06/74/926400674.db2.gz PLWKDOHKRDQIFF-NSHDSACASA-N 1 2 278.302 1.744 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(F)c1F ZINC001085789727 926400678 /nfs/dbraw/zinc/40/06/78/926400678.db2.gz PLWKDOHKRDQIFF-NSHDSACASA-N 1 2 278.302 1.744 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ocnc1C1CC1 ZINC001085814718 926422375 /nfs/dbraw/zinc/42/23/75/926422375.db2.gz DNOBCYSZKCXLPF-GFCCVEGCSA-N 1 2 273.336 1.332 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ocnc1C1CC1 ZINC001085814718 926422383 /nfs/dbraw/zinc/42/23/83/926422383.db2.gz DNOBCYSZKCXLPF-GFCCVEGCSA-N 1 2 273.336 1.332 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(CF)CCC2)C1 ZINC001108224161 926531947 /nfs/dbraw/zinc/53/19/47/926531947.db2.gz KPVBAAGFHFPMIO-CQSZACIVSA-N 1 2 284.375 1.519 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2(CF)CCC2)C1 ZINC001108224161 926531953 /nfs/dbraw/zinc/53/19/53/926531953.db2.gz KPVBAAGFHFPMIO-CQSZACIVSA-N 1 2 284.375 1.519 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(F)cc1F ZINC001085954676 926539528 /nfs/dbraw/zinc/53/95/28/926539528.db2.gz GQFMCLHIEPUTLY-GFCCVEGCSA-N 1 2 278.302 1.744 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(F)cc1F ZINC001085954676 926539533 /nfs/dbraw/zinc/53/95/33/926539533.db2.gz GQFMCLHIEPUTLY-GFCCVEGCSA-N 1 2 278.302 1.744 20 30 CDEDLO C[C@H]1C(=O)NCC[N@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142926009 937094508 /nfs/dbraw/zinc/09/45/08/937094508.db2.gz HRMQUBWIGVKYHG-JTQLQIEISA-N 1 2 268.320 1.360 20 30 CDEDLO C[C@H]1C(=O)NCC[N@@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142926009 937094511 /nfs/dbraw/zinc/09/45/11/937094511.db2.gz HRMQUBWIGVKYHG-JTQLQIEISA-N 1 2 268.320 1.360 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)CC(C)C)C1 ZINC001108309699 927373196 /nfs/dbraw/zinc/37/31/96/927373196.db2.gz XTVOZTUHKMNKRQ-WBVHZDCISA-N 1 2 294.439 1.899 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)CC(C)C)C1 ZINC001108309699 927373208 /nfs/dbraw/zinc/37/32/08/927373208.db2.gz XTVOZTUHKMNKRQ-WBVHZDCISA-N 1 2 294.439 1.899 20 30 CDEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C[C@H](C)CC)CC2=O)C1 ZINC001108538979 928387502 /nfs/dbraw/zinc/38/75/02/928387502.db2.gz RZDSOMIJDQYSRB-CHWSQXEVSA-N 1 2 293.411 1.010 20 30 CDEDLO C[C@@H](CNc1ccc(C#N)cn1)NC(=O)CCn1cc[nH+]c1 ZINC001108624630 928573559 /nfs/dbraw/zinc/57/35/59/928573559.db2.gz VAECYVKKNMXIGA-LBPRGKRZSA-N 1 2 298.350 1.157 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C)C2 ZINC001110015665 929105152 /nfs/dbraw/zinc/10/51/52/929105152.db2.gz RFCBNVVNAJRRTB-AGIUHOORSA-N 1 2 293.411 1.056 20 30 CDEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C)C2 ZINC001110015665 929105156 /nfs/dbraw/zinc/10/51/56/929105156.db2.gz RFCBNVVNAJRRTB-AGIUHOORSA-N 1 2 293.411 1.056 20 30 CDEDLO C=CCCC(=O)N1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC001112687490 929325545 /nfs/dbraw/zinc/32/55/45/929325545.db2.gz BSYIAWSSEVHBDU-NSHDSACASA-N 1 2 294.317 1.410 20 30 CDEDLO N#CCNC1(CNC(=O)CCc2c[nH]c[nH+]2)CCCCC1 ZINC001115567183 937394589 /nfs/dbraw/zinc/39/45/89/937394589.db2.gz SWWUEHUHHBJVKU-UHFFFAOYSA-N 1 2 289.383 1.275 20 30 CDEDLO N#CCNC1(CNC(=O)CCc2c[nH+]c[nH]2)CCCCC1 ZINC001115567183 937394593 /nfs/dbraw/zinc/39/45/93/937394593.db2.gz SWWUEHUHHBJVKU-UHFFFAOYSA-N 1 2 289.383 1.275 20 30 CDEDLO C#CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nccn1C ZINC001153025078 937411009 /nfs/dbraw/zinc/41/10/09/937411009.db2.gz OJKKUPPDQILJNJ-CQSZACIVSA-N 1 2 290.411 1.550 20 30 CDEDLO C#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccn1C ZINC001153025078 937411011 /nfs/dbraw/zinc/41/10/11/937411011.db2.gz OJKKUPPDQILJNJ-CQSZACIVSA-N 1 2 290.411 1.550 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[C@H](C)CC1 ZINC000884130466 930454004 /nfs/dbraw/zinc/45/40/04/930454004.db2.gz LGBITVISPTYRAC-SRVKXCTJSA-N 1 2 268.357 1.128 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000884137074 930457309 /nfs/dbraw/zinc/45/73/09/930457309.db2.gz CTPKLVIUNJKKGX-QNWHQSFQSA-N 1 2 282.384 1.374 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)C[C@@H](C)CC ZINC000884141956 930458396 /nfs/dbraw/zinc/45/83/96/930458396.db2.gz NQYULQWDUJBLAQ-SRVKXCTJSA-N 1 2 270.373 1.374 20 30 CDEDLO C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)Nc1ccc(C#N)cn1 ZINC001115766280 937418551 /nfs/dbraw/zinc/41/85/51/937418551.db2.gz CVBSSGPKOQIMPX-GFCCVEGCSA-N 1 2 298.350 1.109 20 30 CDEDLO COc1cccc(O)c1/C=N/CC[N@@H+]1CCOC[C@H]1C ZINC001115993126 937426878 /nfs/dbraw/zinc/42/68/78/937426878.db2.gz WPCRHLWFACEXKU-HMHNVIDESA-N 1 2 278.352 1.540 20 30 CDEDLO COc1cccc(O)c1/C=N/CC[N@H+]1CCOC[C@H]1C ZINC001115993126 937426881 /nfs/dbraw/zinc/42/68/81/937426881.db2.gz WPCRHLWFACEXKU-HMHNVIDESA-N 1 2 278.352 1.540 20 30 CDEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1ccc(C)cc1F ZINC001116396948 937445724 /nfs/dbraw/zinc/44/57/24/937445724.db2.gz VQJXEDDTNUHIOI-UHFFFAOYSA-N 1 2 278.327 1.654 20 30 CDEDLO C#CCOCC[N@H+](C)CC(=O)Nc1ccc(C)cc1F ZINC001116396948 937445726 /nfs/dbraw/zinc/44/57/26/937445726.db2.gz VQJXEDDTNUHIOI-UHFFFAOYSA-N 1 2 278.327 1.654 20 30 CDEDLO COC(=O)c1ccc(C(=N)Nc2ccc(C)c(N)[nH+]2)cc1 ZINC001170981320 931140514 /nfs/dbraw/zinc/14/05/14/931140514.db2.gz PCRWHSMGSNOIKG-UHFFFAOYSA-N 1 2 284.319 1.796 20 30 CDEDLO C#CCN1CC[NH+](Cc2ccc3[nH]cnc3c2)CC1 ZINC001137047766 931507891 /nfs/dbraw/zinc/50/78/91/931507891.db2.gz KZRUKPCJCKJYHA-UHFFFAOYSA-N 1 2 254.337 1.314 20 30 CDEDLO C#CCN1CC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC001137047766 931507892 /nfs/dbraw/zinc/50/78/92/931507892.db2.gz KZRUKPCJCKJYHA-UHFFFAOYSA-N 1 2 254.337 1.314 20 30 CDEDLO C#CC(=O)N1CC[NH+](C[C@@H](OC)c2ccccc2)CC1 ZINC001143908037 931582142 /nfs/dbraw/zinc/58/21/42/931582142.db2.gz BURMVWRGGBUKLB-OAHLLOKOSA-N 1 2 272.348 1.152 20 30 CDEDLO COC(=O)[C@H]([NH2+]CCO[C@H](C)C#N)[C@H]1CCC[C@H](OC)C1 ZINC000844447202 931617565 /nfs/dbraw/zinc/61/75/65/931617565.db2.gz QEJWKGJYTGTYCH-ZOBORPQBSA-N 1 2 298.383 1.251 20 30 CDEDLO C=CC[C@H](C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001144029121 931632325 /nfs/dbraw/zinc/63/23/25/931632325.db2.gz PSQSLPMGQHIQGS-QWHCGFSZSA-N 1 2 259.353 1.989 20 30 CDEDLO CC1(C)C[N@@H+](C2CN(Cc3cncc(C#N)c3)C2)CCO1 ZINC001144079350 931649586 /nfs/dbraw/zinc/64/95/86/931649586.db2.gz KQLUIDWOOPREEQ-UHFFFAOYSA-N 1 2 286.379 1.248 20 30 CDEDLO CC1(C)C[N@H+](C2CN(Cc3cncc(C#N)c3)C2)CCO1 ZINC001144079350 931649587 /nfs/dbraw/zinc/64/95/87/931649587.db2.gz KQLUIDWOOPREEQ-UHFFFAOYSA-N 1 2 286.379 1.248 20 30 CDEDLO CN1CCO[C@H]2C[N@H+](Cc3cc(F)cc(C#N)c3)C[C@@H]21 ZINC001275414745 931780934 /nfs/dbraw/zinc/78/09/34/931780934.db2.gz YGMODSMCIIWJEZ-GJZGRUSLSA-N 1 2 275.327 1.212 20 30 CDEDLO CN1CCO[C@H]2C[N@@H+](Cc3cc(F)cc(C#N)c3)C[C@@H]21 ZINC001275414745 931780946 /nfs/dbraw/zinc/78/09/46/931780946.db2.gz YGMODSMCIIWJEZ-GJZGRUSLSA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3cc(F)cc(C#N)c3)C[C@@H]21 ZINC001275414745 931780951 /nfs/dbraw/zinc/78/09/51/931780951.db2.gz YGMODSMCIIWJEZ-GJZGRUSLSA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3cc(F)cc(C#N)c3)C[C@@H]21 ZINC001275414745 931780955 /nfs/dbraw/zinc/78/09/55/931780955.db2.gz YGMODSMCIIWJEZ-GJZGRUSLSA-N 1 2 275.327 1.212 20 30 CDEDLO C=C[C@@H](C)ONC(=O)N(C)CCCn1cc[nH+]c1 ZINC000845629227 931863961 /nfs/dbraw/zinc/86/39/61/931863961.db2.gz UGNMPKALDYOZTD-LLVKDONJSA-N 1 2 252.318 1.421 20 30 CDEDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1ccc(Cl)c(C#N)c1 ZINC001275731986 931985579 /nfs/dbraw/zinc/98/55/79/931985579.db2.gz OCTWONRSTATWMK-TXEJJXNPSA-N 1 2 275.739 1.740 20 30 CDEDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1ccc(Cl)c(C#N)c1 ZINC001275731986 931985582 /nfs/dbraw/zinc/98/55/82/931985582.db2.gz OCTWONRSTATWMK-TXEJJXNPSA-N 1 2 275.739 1.740 20 30 CDEDLO Cc1nc(N[C@H]2C[C@H](CNC(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001091445796 932190183 /nfs/dbraw/zinc/19/01/83/932190183.db2.gz YEXCWXCMLPKIJJ-YUSALJHKSA-N 1 2 273.340 1.251 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCC1(Nc2cc[nH+]c(C)n2)CC1 ZINC001110124621 932887551 /nfs/dbraw/zinc/88/75/51/932887551.db2.gz URHQMLKXHRYVDO-CQSZACIVSA-N 1 2 290.367 1.173 20 30 CDEDLO CC(C)Cc1nc(C[NH2+]CCCNC(=O)[C@@H](C)C#N)no1 ZINC001155860624 937683017 /nfs/dbraw/zinc/68/30/17/937683017.db2.gz PVEXWVNCHJCXMY-NSHDSACASA-N 1 2 293.371 1.024 20 30 CDEDLO C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N)n1cc[nH+]c1 ZINC001111075043 933937428 /nfs/dbraw/zinc/93/74/28/933937428.db2.gz LAHNJJVGGSWJMH-DGAVXFQQSA-N 1 2 287.367 1.079 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000158874863 934304739 /nfs/dbraw/zinc/30/47/39/934304739.db2.gz LCSIIHBDIZGXET-NEPJUHHUSA-N 1 2 270.373 1.786 20 30 CDEDLO C=CC[N@H+]1CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000158874863 934304747 /nfs/dbraw/zinc/30/47/47/934304747.db2.gz LCSIIHBDIZGXET-NEPJUHHUSA-N 1 2 270.373 1.786 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2n1CCCC2 ZINC001038635027 935592047 /nfs/dbraw/zinc/59/20/47/935592047.db2.gz OGPCDJMSBLEBMJ-CYBMUJFWSA-N 1 2 286.379 1.047 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2n1CCCC2 ZINC001038635027 935592049 /nfs/dbraw/zinc/59/20/49/935592049.db2.gz OGPCDJMSBLEBMJ-CYBMUJFWSA-N 1 2 286.379 1.047 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OC)C1CCC1 ZINC001017774593 935648899 /nfs/dbraw/zinc/64/88/99/935648899.db2.gz SYIVSWVZFFHIOM-XHSDSOJGSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OC)C1CCC1 ZINC001017774593 935648902 /nfs/dbraw/zinc/64/89/02/935648902.db2.gz SYIVSWVZFFHIOM-XHSDSOJGSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001017851880 935651292 /nfs/dbraw/zinc/65/12/92/935651292.db2.gz IWGHLLWWLMUUAH-UXLLHSPISA-N 1 2 298.361 1.774 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001017851880 935651293 /nfs/dbraw/zinc/65/12/93/935651293.db2.gz IWGHLLWWLMUUAH-UXLLHSPISA-N 1 2 298.361 1.774 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2ccsc2[nH]1 ZINC001038569616 935749644 /nfs/dbraw/zinc/74/96/44/935749644.db2.gz DHULFDBUBDIOJU-LLVKDONJSA-N 1 2 273.361 1.667 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2ccsc2[nH]1 ZINC001038569616 935749646 /nfs/dbraw/zinc/74/96/46/935749646.db2.gz DHULFDBUBDIOJU-LLVKDONJSA-N 1 2 273.361 1.667 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnc3cc(C)ccn23)C1 ZINC001042780312 935829474 /nfs/dbraw/zinc/82/94/74/935829474.db2.gz LZQVPBFSOMFKHC-UHFFFAOYSA-N 1 2 298.390 1.975 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001042975621 935831366 /nfs/dbraw/zinc/83/13/66/935831366.db2.gz LGFLTEVYKSKVDT-OCCSQVGLSA-N 1 2 266.385 1.520 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ncn3ccc(C)cc23)C1 ZINC001043171900 935834933 /nfs/dbraw/zinc/83/49/33/935834933.db2.gz TWVUKRAXIZDKPB-UHFFFAOYSA-N 1 2 296.374 1.422 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccnc2OC)C1 ZINC001043725592 935842876 /nfs/dbraw/zinc/84/28/76/935842876.db2.gz FBFHPEHFYOWPNU-UHFFFAOYSA-N 1 2 275.352 1.423 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn(C)c2C(F)F)C1 ZINC001044170458 935853771 /nfs/dbraw/zinc/85/37/71/935853771.db2.gz QXLFEJFGYYABMK-UHFFFAOYSA-N 1 2 296.321 1.137 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H](C)n2nc(C)cc2C)C1 ZINC001044362197 935857722 /nfs/dbraw/zinc/85/77/22/935857722.db2.gz SHAPTPMURRZTPU-AWEZNQCLSA-N 1 2 288.395 1.227 20 30 CDEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc(C)c1C)C2 ZINC001096891142 936231888 /nfs/dbraw/zinc/23/18/88/936231888.db2.gz SUTLAWPFGKTREV-UPJWGTAASA-N 1 2 274.368 1.548 20 30 CDEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc(C)c1C)C2 ZINC001096891142 936231891 /nfs/dbraw/zinc/23/18/91/936231891.db2.gz SUTLAWPFGKTREV-UPJWGTAASA-N 1 2 274.368 1.548 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2ncc(CC#N)cc2Cl)C[NH2+]1 ZINC001156249901 938341543 /nfs/dbraw/zinc/34/15/43/938341543.db2.gz VKJOZVGWNGIGKH-ONGXEEELSA-N 1 2 294.742 1.116 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1ccc2cc(F)ccc2n1 ZINC001156320078 938351364 /nfs/dbraw/zinc/35/13/64/938351364.db2.gz PNWBPIUJZUEWDQ-LBPRGKRZSA-N 1 2 256.284 1.676 20 30 CDEDLO CC(=O)N1CCC[C@H](N(C)c2cc(CC#N)cc[nH+]2)C1 ZINC001157409791 938488962 /nfs/dbraw/zinc/48/89/62/938488962.db2.gz BKSHQIMOBSPTPI-AWEZNQCLSA-N 1 2 272.352 1.595 20 30 CDEDLO Cc1c[nH+]c(NCC2CCS(=O)(=O)CC2)c(/C=N/O)c1 ZINC001157509618 938503543 /nfs/dbraw/zinc/50/35/43/938503543.db2.gz UFQWXZHGZLHNKO-CXUHLZMHSA-N 1 2 297.380 1.435 20 30 CDEDLO C[N@@H+]1CCOC[C@H]1CNc1cc(Cl)cc(C#N)n1 ZINC001158702385 938652215 /nfs/dbraw/zinc/65/22/15/938652215.db2.gz PXKSYIWHTAQANQ-LLVKDONJSA-N 1 2 266.732 1.349 20 30 CDEDLO C[N@H+]1CCOC[C@H]1CNc1cc(Cl)cc(C#N)n1 ZINC001158702385 938652216 /nfs/dbraw/zinc/65/22/16/938652216.db2.gz PXKSYIWHTAQANQ-LLVKDONJSA-N 1 2 266.732 1.349 20 30 CDEDLO Cc1cc(N[C@@H]2C(=O)N(O)C[C@@H]2C)nc(C(C)(C)C)[nH+]1 ZINC001160176128 938773831 /nfs/dbraw/zinc/77/38/31/938773831.db2.gz HAFBNTHCKKUHNA-KWQFWETISA-N 1 2 278.356 1.731 20 30 CDEDLO COc1cc(C#N)cnc1NCCCn1cc[nH+]c1 ZINC001161682167 938919848 /nfs/dbraw/zinc/91/98/48/938919848.db2.gz ITAPYWLONPNOCS-UHFFFAOYSA-N 1 2 257.297 1.661 20 30 CDEDLO CN1CCN(c2[nH+]ccc3ccc(C#N)cc32)CC1=O ZINC001163633135 939295719 /nfs/dbraw/zinc/29/57/19/939295719.db2.gz UDUCCALQAAKZFS-UHFFFAOYSA-N 1 2 266.304 1.385 20 30 CDEDLO C=C(C)c1ccc(N[C@@H]2C[NH2+][C@H](C(=O)OC)C2)nc1 ZINC001164306184 939449845 /nfs/dbraw/zinc/44/98/45/939449845.db2.gz GWJWSIDJADWXMH-RYUDHWBXSA-N 1 2 261.325 1.430 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2ccc3c(C#N)c[nH]c3c2)C[NH2+]1 ZINC001164308666 939450825 /nfs/dbraw/zinc/45/08/25/939450825.db2.gz PFLYMQRUSRLSGH-FZMZJTMJSA-N 1 2 284.319 1.355 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2ccc(C#N)c3[nH]ccc32)C[NH2+]1 ZINC001164308823 939450895 /nfs/dbraw/zinc/45/08/95/939450895.db2.gz SYSYZQJZGKKGKX-GWCFXTLKSA-N 1 2 284.319 1.355 20 30 CDEDLO COC(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001204368562 939760625 /nfs/dbraw/zinc/76/06/25/939760625.db2.gz QHIALYFHUPGHKK-UHFFFAOYSA-N 1 2 273.336 1.832 20 30 CDEDLO COC(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001204368562 939760626 /nfs/dbraw/zinc/76/06/26/939760626.db2.gz QHIALYFHUPGHKK-UHFFFAOYSA-N 1 2 273.336 1.832 20 30 CDEDLO N#Cc1ccc(-c2noc([C@H]([NH3+])c3ccc(O)cc3)n2)nc1 ZINC001204778718 939790267 /nfs/dbraw/zinc/79/02/67/939790267.db2.gz NYDPNOLDDOLEDX-CYBMUJFWSA-N 1 2 293.286 1.757 20 30 CDEDLO Cn1nccc1C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001206322847 940017848 /nfs/dbraw/zinc/01/78/48/940017848.db2.gz RVDPYXMPFABKPC-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO Cn1nccc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001206322847 940017850 /nfs/dbraw/zinc/01/78/50/940017850.db2.gz RVDPYXMPFABKPC-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO C[C@@H](CC(=O)N1CCC(CNCC#N)CC1)n1cc[nH+]c1 ZINC001206431398 940037757 /nfs/dbraw/zinc/03/77/57/940037757.db2.gz OWCUQPHDKWESSL-ZDUSSCGKSA-N 1 2 289.383 1.186 20 30 CDEDLO C=CCCC(=O)N1CCC[C@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC001207635169 940224632 /nfs/dbraw/zinc/22/46/32/940224632.db2.gz ITHKYJNEDMZVDJ-LBPRGKRZSA-N 1 2 292.383 1.679 20 30 CDEDLO C#CC[NH+]1CCN(CCc2ccc(OC)c(OC)c2)CC1 ZINC001208759960 940383875 /nfs/dbraw/zinc/38/38/75/940383875.db2.gz BCYRNVBUWAYTBN-UHFFFAOYSA-N 1 2 288.391 1.497 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c[nH]nc2-c2ccccc2)CC1 ZINC001209763120 940639231 /nfs/dbraw/zinc/63/92/31/940639231.db2.gz QBXOEQMWLARFSV-UHFFFAOYSA-N 1 2 280.375 1.828 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1OC ZINC001213358821 940770820 /nfs/dbraw/zinc/77/08/20/940770820.db2.gz UKHLBFQYDCHOQU-ZYARKTQMSA-N 1 2 286.803 1.911 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1OC ZINC001213358821 940770823 /nfs/dbraw/zinc/77/08/23/940770823.db2.gz UKHLBFQYDCHOQU-ZYARKTQMSA-N 1 2 286.803 1.911 20 30 CDEDLO CC#CC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001214672673 940835883 /nfs/dbraw/zinc/83/58/83/940835883.db2.gz SGXIDJQBHFQXGE-BBBLOLIVSA-N 1 2 280.265 1.347 20 30 CDEDLO CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C ZINC001214672673 940835885 /nfs/dbraw/zinc/83/58/85/940835885.db2.gz SGXIDJQBHFQXGE-BBBLOLIVSA-N 1 2 280.265 1.347 20 30 CDEDLO C/C=C(/C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001219435125 941344529 /nfs/dbraw/zinc/34/45/29/941344529.db2.gz WRGXQFMSPOFKPD-PKYYUVOHSA-N 1 2 299.374 1.186 20 30 CDEDLO C/C=C(/C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001219435125 941344532 /nfs/dbraw/zinc/34/45/32/941344532.db2.gz WRGXQFMSPOFKPD-PKYYUVOHSA-N 1 2 299.374 1.186 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](F)CC2CCCCC2)[C@@H](O)C1 ZINC001220772268 941470564 /nfs/dbraw/zinc/47/05/64/941470564.db2.gz NHNYSFQGEQGECH-KFWWJZLASA-N 1 2 296.386 1.089 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](F)CC2CCCCC2)[C@@H](O)C1 ZINC001220772268 941470569 /nfs/dbraw/zinc/47/05/69/941470569.db2.gz NHNYSFQGEQGECH-KFWWJZLASA-N 1 2 296.386 1.089 20 30 CDEDLO CC[C@@H]1OC(C)=C(OCCC[NH+]2CCOCC2)C1=O ZINC001224868083 941800791 /nfs/dbraw/zinc/80/07/91/941800791.db2.gz OWQDYBKGCQFKDY-LBPRGKRZSA-N 1 2 269.341 1.335 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(F)cnc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226108377 941951928 /nfs/dbraw/zinc/95/19/28/941951928.db2.gz BUQJAVYKSQNNPR-ADAFDVPTSA-N 1 2 284.718 1.865 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(F)cnc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226108377 941951930 /nfs/dbraw/zinc/95/19/30/941951930.db2.gz BUQJAVYKSQNNPR-ADAFDVPTSA-N 1 2 284.718 1.865 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc(/C=N/O)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226114528 941952400 /nfs/dbraw/zinc/95/24/00/941952400.db2.gz MCYRPPUVRDGXEC-GWNUWRSKSA-N 1 2 274.320 1.486 20 30 CDEDLO COCC[NH+]1CCC(Oc2[nH]c(=O)cc(C)c2C#N)CC1 ZINC001226223868 941970541 /nfs/dbraw/zinc/97/05/41/941970541.db2.gz WRCCNBMVPYGCAV-UHFFFAOYSA-N 1 2 291.351 1.457 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Oc1cc(C#N)cc(C#N)c1 ZINC001226896354 942089063 /nfs/dbraw/zinc/08/90/63/942089063.db2.gz LYEIEIWJZCTDFG-LBPRGKRZSA-N 1 2 271.320 1.529 20 30 CDEDLO Cc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC001226951561 942101309 /nfs/dbraw/zinc/10/13/09/942101309.db2.gz BXAUJCSZJLFCJN-GAAPNJIFSA-N 1 2 290.319 1.894 20 30 CDEDLO Cc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC001226951561 942101314 /nfs/dbraw/zinc/10/13/14/942101314.db2.gz BXAUJCSZJLFCJN-GAAPNJIFSA-N 1 2 290.319 1.894 20 30 CDEDLO C#CCCCC(=O)NC1CC[NH+](Cc2nonc2C)CC1 ZINC001227084955 942129404 /nfs/dbraw/zinc/12/94/04/942129404.db2.gz QUKLNWRUSXOZBK-UHFFFAOYSA-N 1 2 290.367 1.262 20 30 CDEDLO CC(C)[NH+]1CC(Oc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC001227292359 942164397 /nfs/dbraw/zinc/16/43/97/942164397.db2.gz SFMVKEOCFXWNOP-UHFFFAOYSA-N 1 2 261.281 1.938 20 30 CDEDLO C=CCC(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](CC)C(N)=O ZINC001316602142 942424854 /nfs/dbraw/zinc/42/48/54/942424854.db2.gz KSURIZVGPDGFPL-STQMWFEESA-N 1 2 295.427 1.385 20 30 CDEDLO C=CCC(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](CC)C(N)=O ZINC001316602142 942424855 /nfs/dbraw/zinc/42/48/55/942424855.db2.gz KSURIZVGPDGFPL-STQMWFEESA-N 1 2 295.427 1.385 20 30 CDEDLO CCOc1nc(OC[C@@H]2C[N@H+](C)CCO2)c(C#N)s1 ZINC001231090602 942782042 /nfs/dbraw/zinc/78/20/42/942782042.db2.gz HEKCIESVDXXJAQ-VIFPVBQESA-N 1 2 283.353 1.123 20 30 CDEDLO CCOc1nc(OC[C@@H]2C[N@@H+](C)CCO2)c(C#N)s1 ZINC001231090602 942782046 /nfs/dbraw/zinc/78/20/46/942782046.db2.gz HEKCIESVDXXJAQ-VIFPVBQESA-N 1 2 283.353 1.123 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(=O)NCCC ZINC001231122872 942791886 /nfs/dbraw/zinc/79/18/86/942791886.db2.gz PQDLHJIRECZDAJ-ZIAGYGMSSA-N 1 2 295.427 1.400 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(=O)NCCC ZINC001231122872 942791891 /nfs/dbraw/zinc/79/18/91/942791891.db2.gz PQDLHJIRECZDAJ-ZIAGYGMSSA-N 1 2 295.427 1.400 20 30 CDEDLO Cc1oncc1C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231294671 942847597 /nfs/dbraw/zinc/84/75/97/942847597.db2.gz ZTMACPBMYGWEHO-GWCFXTLKSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1oncc1C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231294671 942847602 /nfs/dbraw/zinc/84/76/02/942847602.db2.gz ZTMACPBMYGWEHO-GWCFXTLKSA-N 1 2 276.340 1.175 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3cncc(O)c3)CC2)cc1 ZINC001232041894 943112414 /nfs/dbraw/zinc/11/24/14/943112414.db2.gz MNVSCBQIIDAJKI-UHFFFAOYSA-N 1 2 294.358 1.981 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001362168546 970971576 /nfs/dbraw/zinc/97/15/76/970971576.db2.gz BOWQIWKSJJNBFA-UHFFFAOYSA-N 1 2 283.335 1.869 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCCN(Cc2c[nH+]c(C)[nH]2)C1 ZINC001232468490 943288604 /nfs/dbraw/zinc/28/86/04/943288604.db2.gz NXCIKMMLBLDBMS-GFCCVEGCSA-N 1 2 278.356 1.595 20 30 CDEDLO N#Cc1ccnc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC001232474332 943289703 /nfs/dbraw/zinc/28/97/03/943289703.db2.gz ATTGNJRNELWYHH-LLVKDONJSA-N 1 2 267.279 1.403 20 30 CDEDLO N#Cc1ccnc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC001232474332 943289706 /nfs/dbraw/zinc/28/97/06/943289706.db2.gz ATTGNJRNELWYHH-LLVKDONJSA-N 1 2 267.279 1.403 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(C3COC3)CC2)s1 ZINC001232842245 943409530 /nfs/dbraw/zinc/40/95/30/943409530.db2.gz QNJNATLBYXYGKV-UHFFFAOYSA-N 1 2 263.366 1.136 20 30 CDEDLO CC(=O)N(C)C1C[NH+](Cc2ccc(C#N)cc2C)C1 ZINC001233083068 943488718 /nfs/dbraw/zinc/48/87/18/943488718.db2.gz TULAKXCHVKDDNV-UHFFFAOYSA-N 1 2 257.337 1.529 20 30 CDEDLO CN(C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2O)CC1 ZINC001233383625 943570084 /nfs/dbraw/zinc/57/00/84/943570084.db2.gz ORGYSEFYIVJWCU-UHFFFAOYSA-N 1 2 288.351 1.063 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccc(C(=O)OC)c(OC)c1 ZINC001233542474 943612056 /nfs/dbraw/zinc/61/20/56/943612056.db2.gz UTWPNKSGESSDNL-UHFFFAOYSA-N 1 2 271.316 1.550 20 30 CDEDLO Cc1ncoc1C[N@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234159989 943759635 /nfs/dbraw/zinc/75/96/35/943759635.db2.gz FGJKZQHJLHDDFA-AWEZNQCLSA-N 1 2 289.379 1.675 20 30 CDEDLO Cc1ncoc1C[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234159989 943759640 /nfs/dbraw/zinc/75/96/40/943759640.db2.gz FGJKZQHJLHDDFA-AWEZNQCLSA-N 1 2 289.379 1.675 20 30 CDEDLO C#CCO[C@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1C/C=C/Cl ZINC001234265938 943786980 /nfs/dbraw/zinc/78/69/80/943786980.db2.gz MZYVKYNEUIGEPV-MVTQWGDUSA-N 1 2 284.787 1.310 20 30 CDEDLO C#CCO[C@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1C/C=C/Cl ZINC001234265938 943786982 /nfs/dbraw/zinc/78/69/82/943786982.db2.gz MZYVKYNEUIGEPV-MVTQWGDUSA-N 1 2 284.787 1.310 20 30 CDEDLO C[C@@H](C[NH+](C)C)Oc1[nH]c(=O)nc2ccc(C#N)cc21 ZINC001234531285 943881957 /nfs/dbraw/zinc/88/19/57/943881957.db2.gz XIEKXAOEQIAMKV-VIFPVBQESA-N 1 2 272.308 1.536 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001234538227 943881989 /nfs/dbraw/zinc/88/19/89/943881989.db2.gz WBGPEPNIEYXBDL-ZDUSSCGKSA-N 1 2 295.427 1.210 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001234538227 943881993 /nfs/dbraw/zinc/88/19/93/943881993.db2.gz WBGPEPNIEYXBDL-ZDUSSCGKSA-N 1 2 295.427 1.210 20 30 CDEDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccccc2CC#N)C1 ZINC001235530641 944189871 /nfs/dbraw/zinc/18/98/71/944189871.db2.gz WDRDNLKLOZEZRW-HNNXBMFYSA-N 1 2 292.404 1.762 20 30 CDEDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccccc2CC#N)C1 ZINC001235530641 944189876 /nfs/dbraw/zinc/18/98/76/944189876.db2.gz WDRDNLKLOZEZRW-HNNXBMFYSA-N 1 2 292.404 1.762 20 30 CDEDLO N#Cc1cc(F)c(C[N@H+]2CCC[C@H]2CO)c(F)c1 ZINC001235650485 944232239 /nfs/dbraw/zinc/23/22/39/944232239.db2.gz FRDPDJQYABESIM-JTQLQIEISA-N 1 2 252.264 1.793 20 30 CDEDLO N#Cc1cc(F)c(C[N@@H+]2CCC[C@H]2CO)c(F)c1 ZINC001235650485 944232245 /nfs/dbraw/zinc/23/22/45/944232245.db2.gz FRDPDJQYABESIM-JTQLQIEISA-N 1 2 252.264 1.793 20 30 CDEDLO C[C@@H](CNC(=O)CNc1ccc(C#N)cn1)Cn1cc[nH+]c1 ZINC001362253552 971076685 /nfs/dbraw/zinc/07/66/85/971076685.db2.gz KRMJJCVGKSYKIC-LBPRGKRZSA-N 1 2 298.350 1.014 20 30 CDEDLO Cc1ccnc(C#N)c1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001237571836 944853950 /nfs/dbraw/zinc/85/39/50/944853950.db2.gz IXMNDLZXIMDTQP-UHFFFAOYSA-N 1 2 294.380 1.003 20 30 CDEDLO C[C@H]1CC(=O)C=C(c2cc(N3CC[NH+](C)CC3)ncn2)C1 ZINC001242738190 946863547 /nfs/dbraw/zinc/86/35/47/946863547.db2.gz WMNLAZTXGRALLB-GFCCVEGCSA-N 1 2 286.379 1.611 20 30 CDEDLO CCOC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CC[C@H](C#N)C2)cn1 ZINC001254655091 947575153 /nfs/dbraw/zinc/57/51/53/947575153.db2.gz YNTXQMIQCZKMCL-UHTWSYAYSA-N 1 2 276.340 1.181 20 30 CDEDLO C=C[C@@H]1C[C@]1([NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1)C(=O)OCC ZINC001254929340 947656247 /nfs/dbraw/zinc/65/62/47/947656247.db2.gz RGXBFMGBXOFWDK-PVTKRXDGSA-N 1 2 277.364 1.842 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@H](Oc2nc(C)cc(OC)n2)C1 ZINC001255177452 947768159 /nfs/dbraw/zinc/76/81/59/947768159.db2.gz SABQAZISOMAIMN-STQMWFEESA-N 1 2 290.367 1.939 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CC[C@H](Oc2nc(C)cc(OC)n2)C1 ZINC001255177452 947768165 /nfs/dbraw/zinc/76/81/65/947768165.db2.gz SABQAZISOMAIMN-STQMWFEESA-N 1 2 290.367 1.939 20 30 CDEDLO C=CC[C@@H]1NC(=O)N([C@H]2CCN(c3cccc[nH+]3)C2)C1=O ZINC001255839843 948111504 /nfs/dbraw/zinc/11/15/04/948111504.db2.gz PDKCDDSCMGSIQU-RYUDHWBXSA-N 1 2 286.335 1.157 20 30 CDEDLO C=CC[C@@](C)([NH2+][C@H]1CC[C@@H](C(=O)OCC)C1)C(=O)OC ZINC001257045205 948496736 /nfs/dbraw/zinc/49/67/36/948496736.db2.gz AUBGFIMDFQIEGI-TYNCELHUSA-N 1 2 283.368 1.816 20 30 CDEDLO C=C1CCC(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001332035412 948691424 /nfs/dbraw/zinc/69/14/24/948691424.db2.gz DKSDQAJYBLFOKB-ZDUSSCGKSA-N 1 2 266.385 1.570 20 30 CDEDLO C=C1CCC(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001332035412 948691431 /nfs/dbraw/zinc/69/14/31/948691431.db2.gz DKSDQAJYBLFOKB-ZDUSSCGKSA-N 1 2 266.385 1.570 20 30 CDEDLO COC(=O)CC[C@@H](C)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001258367740 948793526 /nfs/dbraw/zinc/79/35/26/948793526.db2.gz OBDMNASKDHNXNU-KOLCDFICSA-N 1 2 269.366 1.602 20 30 CDEDLO COC(=O)CC[C@@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258367740 948793536 /nfs/dbraw/zinc/79/35/36/948793536.db2.gz OBDMNASKDHNXNU-KOLCDFICSA-N 1 2 269.366 1.602 20 30 CDEDLO COC(=O)CC[C@@H](C)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258367740 948793547 /nfs/dbraw/zinc/79/35/47/948793547.db2.gz OBDMNASKDHNXNU-KOLCDFICSA-N 1 2 269.366 1.602 20 30 CDEDLO COC(=O)CC[C@@H](C)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258367740 948793559 /nfs/dbraw/zinc/79/35/59/948793559.db2.gz OBDMNASKDHNXNU-KOLCDFICSA-N 1 2 269.366 1.602 20 30 CDEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1nonc1C)C2 ZINC001248858401 949226696 /nfs/dbraw/zinc/22/66/96/949226696.db2.gz NKBZHIGGMVGNPM-DZGCQCFKSA-N 1 2 293.367 1.704 20 30 CDEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1nonc1C)C2 ZINC001248858401 949226715 /nfs/dbraw/zinc/22/67/15/949226715.db2.gz NKBZHIGGMVGNPM-DZGCQCFKSA-N 1 2 293.367 1.704 20 30 CDEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1F ZINC001362864897 971676884 /nfs/dbraw/zinc/67/68/84/971676884.db2.gz GCTRHUNZVOZJGI-GFCCVEGCSA-N 1 2 298.321 1.773 20 30 CDEDLO N#C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC001251929923 950964739 /nfs/dbraw/zinc/96/47/39/950964739.db2.gz MTOLNUOTJJREBJ-WCQYABFASA-N 1 2 264.300 1.411 20 30 CDEDLO N#C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC001251929923 950964748 /nfs/dbraw/zinc/96/47/48/950964748.db2.gz MTOLNUOTJJREBJ-WCQYABFASA-N 1 2 264.300 1.411 20 30 CDEDLO C=CC[NH+]1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 ZINC001251927499 950968823 /nfs/dbraw/zinc/96/88/23/950968823.db2.gz LKJXWQSDXOIOTR-HNNXBMFYSA-N 1 2 294.370 1.369 20 30 CDEDLO C=C[C@@](C)(O)C[N@H+]1CC[C@H]1N(C)C(=O)OC(C)(C)C ZINC001252557052 951448881 /nfs/dbraw/zinc/44/88/81/951448881.db2.gz HDUAUCMSJOSTBU-SMDDNHRTSA-N 1 2 270.373 1.822 20 30 CDEDLO C=C[C@@](C)(O)C[N@@H+]1CC[C@H]1N(C)C(=O)OC(C)(C)C ZINC001252557052 951448885 /nfs/dbraw/zinc/44/88/85/951448885.db2.gz HDUAUCMSJOSTBU-SMDDNHRTSA-N 1 2 270.373 1.822 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001252603263 951499364 /nfs/dbraw/zinc/49/93/64/951499364.db2.gz RLBFBONAHKPGII-RCWTZXSCSA-N 1 2 265.275 1.718 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001252603263 951499371 /nfs/dbraw/zinc/49/93/71/951499371.db2.gz RLBFBONAHKPGII-RCWTZXSCSA-N 1 2 265.275 1.718 20 30 CDEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1cc(C)ccc1OC ZINC001324516039 953422816 /nfs/dbraw/zinc/42/28/16/953422816.db2.gz LETPIMYAYKDACX-UHFFFAOYSA-N 1 2 290.363 1.524 20 30 CDEDLO C#CCOCC[N@H+](C)CC(=O)Nc1cc(C)ccc1OC ZINC001324516039 953422836 /nfs/dbraw/zinc/42/28/36/953422836.db2.gz LETPIMYAYKDACX-UHFFFAOYSA-N 1 2 290.363 1.524 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001421652435 955453945 /nfs/dbraw/zinc/45/39/45/955453945.db2.gz UYAWXLLVDDOQCE-LSDHHAIUSA-N 1 2 287.363 1.192 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001421652435 955453969 /nfs/dbraw/zinc/45/39/69/955453969.db2.gz UYAWXLLVDDOQCE-LSDHHAIUSA-N 1 2 287.363 1.192 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CSC(C)C ZINC001492194592 955694083 /nfs/dbraw/zinc/69/40/83/955694083.db2.gz CHLSEPAJOBRGOD-UHFFFAOYSA-N 1 2 264.822 1.929 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CSC(C)C ZINC001492194592 955694095 /nfs/dbraw/zinc/69/40/95/955694095.db2.gz CHLSEPAJOBRGOD-UHFFFAOYSA-N 1 2 264.822 1.929 20 30 CDEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)C1CC1 ZINC001422144070 955776551 /nfs/dbraw/zinc/77/65/51/955776551.db2.gz LXEJWIARMJDKEA-UHFFFAOYSA-N 1 2 289.354 1.998 20 30 CDEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)C1CC1 ZINC001422144070 955776561 /nfs/dbraw/zinc/77/65/61/955776561.db2.gz LXEJWIARMJDKEA-UHFFFAOYSA-N 1 2 289.354 1.998 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cc1cncs1 ZINC001492291367 955811357 /nfs/dbraw/zinc/81/13/57/955811357.db2.gz MSLKMRLJALROGY-UHFFFAOYSA-N 1 2 273.789 1.486 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cc1cncs1 ZINC001492291367 955811365 /nfs/dbraw/zinc/81/13/65/955811365.db2.gz MSLKMRLJALROGY-UHFFFAOYSA-N 1 2 273.789 1.486 20 30 CDEDLO Cc1cnc(C[NH+]2CCC(C)(NC(=O)[C@@H](C)C#N)CC2)o1 ZINC001423502789 956815698 /nfs/dbraw/zinc/81/56/98/956815698.db2.gz HLPCECPWMCORJB-NSHDSACASA-N 1 2 290.367 1.613 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC1C[NH+](Cc2cc(C3CC3)no2)C1 ZINC001494537063 972250618 /nfs/dbraw/zinc/25/06/18/972250618.db2.gz DPBNVETVGRXCKP-JTQLQIEISA-N 1 2 288.351 1.260 20 30 CDEDLO C=C(Cl)CN(C)CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001367529141 958108279 /nfs/dbraw/zinc/10/82/79/958108279.db2.gz VUZHADLGLBOXTI-UHFFFAOYSA-N 1 2 284.791 1.416 20 30 CDEDLO O=C(CC#Cc1ccccc1)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001320276599 959041994 /nfs/dbraw/zinc/04/19/94/959041994.db2.gz RBEAMPXETMCOLZ-CALCHBBNSA-N 1 2 299.370 1.835 20 30 CDEDLO O=C(CC#Cc1ccccc1)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001320276599 959042012 /nfs/dbraw/zinc/04/20/12/959042012.db2.gz RBEAMPXETMCOLZ-CALCHBBNSA-N 1 2 299.370 1.835 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccnn1CC ZINC001368943138 959301651 /nfs/dbraw/zinc/30/16/51/959301651.db2.gz CMAYXRRESLIEND-NSHDSACASA-N 1 2 284.791 1.706 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccnn1CC ZINC001368943138 959301666 /nfs/dbraw/zinc/30/16/66/959301666.db2.gz CMAYXRRESLIEND-NSHDSACASA-N 1 2 284.791 1.706 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H](C)n1cncn1)C1CC1 ZINC001418759872 960990059 /nfs/dbraw/zinc/99/00/59/960990059.db2.gz WVXKCOIACXZWAG-LLVKDONJSA-N 1 2 297.790 1.172 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H](C)n1cncn1)C1CC1 ZINC001418759872 960990065 /nfs/dbraw/zinc/99/00/65/960990065.db2.gz WVXKCOIACXZWAG-LLVKDONJSA-N 1 2 297.790 1.172 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)COc2cccnc2)C1 ZINC001419035736 961286884 /nfs/dbraw/zinc/28/68/84/961286884.db2.gz HJPUMQZVQHAMNF-UHFFFAOYSA-N 1 2 295.770 1.261 20 30 CDEDLO C[N@H+](C[C@@H](O)c1cccc(C#N)c1)[C@@H]1CC(C)(C)OC1=O ZINC001434470713 961468389 /nfs/dbraw/zinc/46/83/89/961468389.db2.gz AGIRUJLAYAMYSX-ZIAGYGMSSA-N 1 2 288.347 1.618 20 30 CDEDLO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)[C@@H]1CC(C)(C)OC1=O ZINC001434470713 961468393 /nfs/dbraw/zinc/46/83/93/961468393.db2.gz AGIRUJLAYAMYSX-ZIAGYGMSSA-N 1 2 288.347 1.618 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)COCc1ccncc1 ZINC001420319905 962734210 /nfs/dbraw/zinc/73/42/10/962734210.db2.gz SSFGXXXEBAFLMO-UHFFFAOYSA-N 1 2 297.786 1.399 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)COCc1ccncc1 ZINC001420319905 962734222 /nfs/dbraw/zinc/73/42/22/962734222.db2.gz SSFGXXXEBAFLMO-UHFFFAOYSA-N 1 2 297.786 1.399 20 30 CDEDLO C=CCN(C)c1nnc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)n1C ZINC001340143361 962771515 /nfs/dbraw/zinc/77/15/15/962771515.db2.gz XZRUOUMUVGASMC-QWHCGFSZSA-N 1 2 291.399 1.363 20 30 CDEDLO C=CCN(C)c1nnc([C@H]2C[N@H+]3CCCC[C@H]3CO2)n1C ZINC001340143361 962771532 /nfs/dbraw/zinc/77/15/32/962771532.db2.gz XZRUOUMUVGASMC-QWHCGFSZSA-N 1 2 291.399 1.363 20 30 CDEDLO C[N@H+](CCNC(=O)[C@@H]1CC12CC2)Cc1ccccc1C#N ZINC001437519231 962987687 /nfs/dbraw/zinc/98/76/87/962987687.db2.gz DUEPJWXIFGBGKQ-HNNXBMFYSA-N 1 2 283.375 1.906 20 30 CDEDLO C[N@@H+](CCNC(=O)[C@@H]1CC12CC2)Cc1ccccc1C#N ZINC001437519231 962987692 /nfs/dbraw/zinc/98/76/92/962987692.db2.gz DUEPJWXIFGBGKQ-HNNXBMFYSA-N 1 2 283.375 1.906 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CC1CCOCC1 ZINC001420545286 963038141 /nfs/dbraw/zinc/03/81/41/963038141.db2.gz YFEXSRLTRZMWAZ-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CC1CCOCC1 ZINC001420545286 963038146 /nfs/dbraw/zinc/03/81/46/963038146.db2.gz YFEXSRLTRZMWAZ-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1cn[nH]c1 ZINC001420651641 963162028 /nfs/dbraw/zinc/16/20/28/963162028.db2.gz MHZIJGFBDARLPI-LLVKDONJSA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCc1cn[nH]c1 ZINC001420651641 963162038 /nfs/dbraw/zinc/16/20/38/963162038.db2.gz MHZIJGFBDARLPI-LLVKDONJSA-N 1 2 284.791 1.531 20 30 CDEDLO Cc1nc(C[NH2+]C2(CNC(=O)[C@H](C)C#N)CC2)oc1C ZINC001420922137 963359699 /nfs/dbraw/zinc/35/96/99/963359699.db2.gz OMGZUNVRSXCOAW-SECBINFHSA-N 1 2 276.340 1.190 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)CC(C)(C)O)C1CC1 ZINC001442992223 965314194 /nfs/dbraw/zinc/31/41/94/965314194.db2.gz BWBBKXKZWRCDPX-UHFFFAOYSA-N 1 2 274.792 1.481 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)CC(C)(C)O)C1CC1 ZINC001442992223 965314201 /nfs/dbraw/zinc/31/42/01/965314201.db2.gz BWBBKXKZWRCDPX-UHFFFAOYSA-N 1 2 274.792 1.481 20 30 CDEDLO C=C(Cl)CN1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001443624468 965542471 /nfs/dbraw/zinc/54/24/71/965542471.db2.gz SASKXVWQWCXQOK-GFCCVEGCSA-N 1 2 296.802 1.635 20 30 CDEDLO C#CCSCC(=O)OCCc1cn2c([nH+]1)CCCC2 ZINC001348512821 966035052 /nfs/dbraw/zinc/03/50/52/966035052.db2.gz GOILGUYVGHOVKA-UHFFFAOYSA-N 1 2 278.377 1.672 20 30 CDEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001351220934 966889017 /nfs/dbraw/zinc/88/90/17/966889017.db2.gz CPWZFSFKRGHEAG-IUODEOHRSA-N 1 2 274.368 1.941 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(CF)CC2)[C@@H](O)C1 ZINC001100007194 967193207 /nfs/dbraw/zinc/19/32/07/967193207.db2.gz XIXSRXSALUDINB-QWRGUYRKSA-N 1 2 290.766 1.040 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(CF)CC2)[C@@H](O)C1 ZINC001100007194 967193214 /nfs/dbraw/zinc/19/32/14/967193214.db2.gz XIXSRXSALUDINB-QWRGUYRKSA-N 1 2 290.766 1.040 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(CF)CC2)[C@@H](O)C1 ZINC001100007193 967193306 /nfs/dbraw/zinc/19/33/06/967193306.db2.gz XIXSRXSALUDINB-MNOVXSKESA-N 1 2 290.766 1.040 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(CF)CC2)[C@@H](O)C1 ZINC001100007193 967193312 /nfs/dbraw/zinc/19/33/12/967193312.db2.gz XIXSRXSALUDINB-MNOVXSKESA-N 1 2 290.766 1.040 20 30 CDEDLO C=CCNC(=S)NCc1c[nH+]c2c(C)cccn12 ZINC001200295898 967870920 /nfs/dbraw/zinc/87/09/20/967870920.db2.gz UDFHDRUHHKUVML-UHFFFAOYSA-N 1 2 260.366 1.793 20 30 CDEDLO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCC[N@@H+]2C)n1CC ZINC001356569958 969431052 /nfs/dbraw/zinc/43/10/52/969431052.db2.gz KLSBIXHHKPMLMK-OLZOCXBDSA-N 1 2 275.400 1.913 20 30 CDEDLO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCC[N@H+]2C)n1CC ZINC001356569958 969431056 /nfs/dbraw/zinc/43/10/56/969431056.db2.gz KLSBIXHHKPMLMK-OLZOCXBDSA-N 1 2 275.400 1.913 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2csc(C#N)c2)C1 ZINC001361316729 970105533 /nfs/dbraw/zinc/10/55/33/970105533.db2.gz PKMFKAKKZMADIB-SNVBAGLBSA-N 1 2 286.360 1.983 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1ccc(C#N)cn1 ZINC001417887177 973455160 /nfs/dbraw/zinc/45/51/60/973455160.db2.gz DLKIOICTSYXHBD-CHWSQXEVSA-N 1 2 281.319 1.107 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CC1(O)CCC1 ZINC001375053354 974242472 /nfs/dbraw/zinc/24/24/72/974242472.db2.gz ZXMHMSUKDLBHJW-NSHDSACASA-N 1 2 274.792 1.481 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CC1(O)CCC1 ZINC001375053354 974242479 /nfs/dbraw/zinc/24/24/79/974242479.db2.gz ZXMHMSUKDLBHJW-NSHDSACASA-N 1 2 274.792 1.481 20 30 CDEDLO C=C(Cl)CN1CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001375370017 974354619 /nfs/dbraw/zinc/35/46/19/974354619.db2.gz VVBMFPKUSHFPLA-ZDUSSCGKSA-N 1 2 296.802 1.296 20 30 CDEDLO CO[C@@H](C)C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001377127947 974896024 /nfs/dbraw/zinc/89/60/24/974896024.db2.gz CMNBKMNEOBDIPQ-NSHDSACASA-N 1 2 293.342 1.280 20 30 CDEDLO CO[C@@H](C)C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001377127947 974896028 /nfs/dbraw/zinc/89/60/28/974896028.db2.gz CMNBKMNEOBDIPQ-NSHDSACASA-N 1 2 293.342 1.280 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H](O)C(C)C)C1 ZINC001378207272 975285955 /nfs/dbraw/zinc/28/59/55/975285955.db2.gz YNULHIZUYUPTPG-QWHCGFSZSA-N 1 2 288.819 1.679 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](O)C(C)C)C1 ZINC001378207272 975285960 /nfs/dbraw/zinc/28/59/60/975285960.db2.gz YNULHIZUYUPTPG-QWHCGFSZSA-N 1 2 288.819 1.679 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C[C@@H]1COC(=O)C1 ZINC001492933094 975419769 /nfs/dbraw/zinc/41/97/69/975419769.db2.gz DABDGFYOAXPTLK-NSHDSACASA-N 1 2 288.775 1.130 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C[C@@H]1COC(=O)C1 ZINC001492933094 975419773 /nfs/dbraw/zinc/41/97/73/975419773.db2.gz DABDGFYOAXPTLK-NSHDSACASA-N 1 2 288.775 1.130 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCCn1cccn1 ZINC001492863560 975682322 /nfs/dbraw/zinc/68/23/22/975682322.db2.gz UEUXLMJDHSSKOR-UHFFFAOYSA-N 1 2 284.791 1.464 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCCn1cccn1 ZINC001492863560 975682331 /nfs/dbraw/zinc/68/23/31/975682331.db2.gz UEUXLMJDHSSKOR-UHFFFAOYSA-N 1 2 284.791 1.464 20 30 CDEDLO COCC(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001406077397 976006289 /nfs/dbraw/zinc/00/62/89/976006289.db2.gz VWTKLTZIOGGUEQ-UHFFFAOYSA-N 1 2 293.342 1.234 20 30 CDEDLO COCC(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001406077397 976006299 /nfs/dbraw/zinc/00/62/99/976006299.db2.gz VWTKLTZIOGGUEQ-UHFFFAOYSA-N 1 2 293.342 1.234 20 30 CDEDLO CC(C)c1ocnc1C[NH2+]C1(CNC(=O)[C@H](C)C#N)CC1 ZINC001401935995 976025287 /nfs/dbraw/zinc/02/52/87/976025287.db2.gz DTWGQCCIGFIRSS-LLVKDONJSA-N 1 2 290.367 1.696 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cncnc1C ZINC001406577834 976266501 /nfs/dbraw/zinc/26/65/01/976266501.db2.gz DBZKZDFMSDYASI-SNVBAGLBSA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cncnc1C ZINC001406577834 976266512 /nfs/dbraw/zinc/26/65/12/976266512.db2.gz DBZKZDFMSDYASI-SNVBAGLBSA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccnc(OC)c1 ZINC001403159453 976772405 /nfs/dbraw/zinc/77/24/05/976772405.db2.gz WLGCAFKPBFQJHP-LLVKDONJSA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccnc(OC)c1 ZINC001403159453 976772416 /nfs/dbraw/zinc/77/24/16/976772416.db2.gz WLGCAFKPBFQJHP-LLVKDONJSA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1[nH]nnc1C)C1CC1 ZINC001400007618 976806646 /nfs/dbraw/zinc/80/66/46/976806646.db2.gz AVRRRKZNNQBMLB-UHFFFAOYSA-N 1 2 283.763 1.060 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1[nH]nnc1C)C1CC1 ZINC001400007618 976806656 /nfs/dbraw/zinc/80/66/56/976806656.db2.gz AVRRRKZNNQBMLB-UHFFFAOYSA-N 1 2 283.763 1.060 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCc2cncs2)C1 ZINC001391509282 976924770 /nfs/dbraw/zinc/92/47/70/976924770.db2.gz ZCVZYSLJVLHCHC-UHFFFAOYSA-N 1 2 299.827 1.876 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cn1nc(C)cc1C ZINC001403874259 977238231 /nfs/dbraw/zinc/23/82/31/977238231.db2.gz QEBJAQFYCMLETD-UHFFFAOYSA-N 1 2 298.818 1.691 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cn1nc(C)cc1C ZINC001403874259 977238236 /nfs/dbraw/zinc/23/82/36/977238236.db2.gz QEBJAQFYCMLETD-UHFFFAOYSA-N 1 2 298.818 1.691 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1cnn(C)c1 ZINC001392261384 977290820 /nfs/dbraw/zinc/29/08/20/977290820.db2.gz YTBOURDTHRUMLR-UHFFFAOYSA-N 1 2 284.791 1.105 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1cnn(C)c1 ZINC001392261384 977290823 /nfs/dbraw/zinc/29/08/23/977290823.db2.gz YTBOURDTHRUMLR-UHFFFAOYSA-N 1 2 284.791 1.105 20 30 CDEDLO CCc1cnc(C[NH2+]C2(CNC(=O)[C@H](C)C#N)CCC2)o1 ZINC001393533110 977822305 /nfs/dbraw/zinc/82/23/05/977822305.db2.gz FBRCWPKNYJNVOR-LLVKDONJSA-N 1 2 290.367 1.525 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+]Cc1nc(COC)no1 ZINC001132301936 1163228396 /nfs/dbraw/zinc/22/83/96/1163228396.db2.gz ILLJJOUEFYSRSC-UHFFFAOYSA-N 1 2 296.371 1.024 20 30 CDEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001132569366 1163377288 /nfs/dbraw/zinc/37/72/88/1163377288.db2.gz PHCQENPFNZWCIW-PWSUYJOCSA-N 1 2 265.357 1.647 20 30 CDEDLO C=CC[N@@H+](C)CN1C(=O)C(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000811769544 1163528822 /nfs/dbraw/zinc/52/88/22/1163528822.db2.gz YLOOHOGHVSFAMM-NWDGAFQWSA-N 1 2 252.358 1.478 20 30 CDEDLO C=CC[N@H+](C)CN1C(=O)C(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000811769544 1163528829 /nfs/dbraw/zinc/52/88/29/1163528829.db2.gz YLOOHOGHVSFAMM-NWDGAFQWSA-N 1 2 252.358 1.478 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+]Cc1nnc(C(C)C)o1 ZINC001133154916 1163585371 /nfs/dbraw/zinc/58/53/71/1163585371.db2.gz XCTWTBPISCTAGM-UHFFFAOYSA-N 1 2 280.372 1.755 20 30 CDEDLO C=CCCC1(C(=O)NCC[NH2+]Cc2csnn2)CC1 ZINC001133376113 1163661257 /nfs/dbraw/zinc/66/12/57/1163661257.db2.gz XMMBLENBURUDCB-UHFFFAOYSA-N 1 2 280.397 1.490 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[NH2+]Cc2nnc(C(C)C)o2)C1 ZINC001133570268 1163789557 /nfs/dbraw/zinc/78/95/57/1163789557.db2.gz RITTTWMYYSNPCW-UHFFFAOYSA-N 1 2 292.383 1.755 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(C)c(OC)c2)CC1 ZINC000052041665 342476029 /nfs/dbraw/zinc/47/60/29/342476029.db2.gz WKCQYVJNFAZUMT-UHFFFAOYSA-N 1 2 272.348 1.395 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(Oc2ncccc2C)CC1 ZINC000589264429 342502518 /nfs/dbraw/zinc/50/25/18/342502518.db2.gz QNEIFMYFKBGASD-AWEZNQCLSA-N 1 2 290.363 1.961 20 30 CDEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000590002385 342518186 /nfs/dbraw/zinc/51/81/86/342518186.db2.gz MRWUPRUYJSFHIE-INIZCTEOSA-N 1 2 299.374 1.894 20 30 CDEDLO C=CC[N@H+](CCC#N)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000590002385 342518187 /nfs/dbraw/zinc/51/81/87/342518187.db2.gz MRWUPRUYJSFHIE-INIZCTEOSA-N 1 2 299.374 1.894 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(-c2ccccc2)no1 ZINC000589827836 342514808 /nfs/dbraw/zinc/51/48/08/342514808.db2.gz PPGCHYSRFXTCHU-MRXNPFEDSA-N 1 2 298.346 1.915 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C[C@H](C)O1 ZINC000329687219 361763358 /nfs/dbraw/zinc/76/33/58/361763358.db2.gz FUOWFOQZQZHHBC-AXFHLTTASA-N 1 2 278.356 1.290 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C[C@H](C)O1 ZINC000329687219 361763373 /nfs/dbraw/zinc/76/33/73/361763373.db2.gz FUOWFOQZQZHHBC-AXFHLTTASA-N 1 2 278.356 1.290 20 30 CDEDLO C=CCN(CC=C)C(=O)CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000364720517 342581475 /nfs/dbraw/zinc/58/14/75/342581475.db2.gz DHIKBMTWNNLAQP-CYBMUJFWSA-N 1 2 274.368 1.747 20 30 CDEDLO C=CCCCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000590698237 342583787 /nfs/dbraw/zinc/58/37/87/342583787.db2.gz WRZSEOFNIFTXIY-UHFFFAOYSA-N 1 2 265.401 1.891 20 30 CDEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000591062558 342614880 /nfs/dbraw/zinc/61/48/80/342614880.db2.gz HKWYUUJBDSBDND-JKSUJKDBSA-N 1 2 292.342 1.942 20 30 CDEDLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146512 342673501 /nfs/dbraw/zinc/67/35/01/342673501.db2.gz COXFYDPKOGFYIP-NFAWXSAZSA-N 1 2 279.384 1.032 20 30 CDEDLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146512 342673503 /nfs/dbraw/zinc/67/35/03/342673503.db2.gz COXFYDPKOGFYIP-NFAWXSAZSA-N 1 2 279.384 1.032 20 30 CDEDLO C[C@H](NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1cccs1 ZINC000592147652 342668065 /nfs/dbraw/zinc/66/80/65/342668065.db2.gz MZHULSZITYSAFH-SMDDNHRTSA-N 1 2 293.392 1.276 20 30 CDEDLO C[C@H](NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1cccs1 ZINC000592147652 342668066 /nfs/dbraw/zinc/66/80/66/342668066.db2.gz MZHULSZITYSAFH-SMDDNHRTSA-N 1 2 293.392 1.276 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NC2CCCCCC2)C1 ZINC000592148248 342668386 /nfs/dbraw/zinc/66/83/86/342668386.db2.gz SKVYEIDZFXPIFZ-HNNXBMFYSA-N 1 2 279.384 1.176 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NC2CCCCCC2)C1 ZINC000592148248 342668387 /nfs/dbraw/zinc/66/83/87/342668387.db2.gz SKVYEIDZFXPIFZ-HNNXBMFYSA-N 1 2 279.384 1.176 20 30 CDEDLO Cc1ccc(C[N@H+](C)Cc2cnc3c(C#N)cnn3c2)nc1 ZINC000592509125 342699843 /nfs/dbraw/zinc/69/98/43/342699843.db2.gz CHSZRLKGOWHECN-UHFFFAOYSA-N 1 2 292.346 1.936 20 30 CDEDLO Cc1ccc(C[N@@H+](C)Cc2cnc3c(C#N)cnn3c2)nc1 ZINC000592509125 342699844 /nfs/dbraw/zinc/69/98/44/342699844.db2.gz CHSZRLKGOWHECN-UHFFFAOYSA-N 1 2 292.346 1.936 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000592523361 342702716 /nfs/dbraw/zinc/70/27/16/342702716.db2.gz YWUHDNQOLYPRNL-CQSZACIVSA-N 1 2 290.754 1.838 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000592523361 342702717 /nfs/dbraw/zinc/70/27/17/342702717.db2.gz YWUHDNQOLYPRNL-CQSZACIVSA-N 1 2 290.754 1.838 20 30 CDEDLO N#CC[C@@]1(O)CCN(Cc2c[nH+]c3ccc(Cl)cn23)C1 ZINC000592523361 342702718 /nfs/dbraw/zinc/70/27/18/342702718.db2.gz YWUHDNQOLYPRNL-CQSZACIVSA-N 1 2 290.754 1.838 20 30 CDEDLO C[C@@H](CC(=O)N1CC[C@@](F)(C#N)C1)n1cc[nH+]c1 ZINC000593135801 342773061 /nfs/dbraw/zinc/77/30/61/342773061.db2.gz HODSBCFVQCBFQO-CMPLNLGQSA-N 1 2 250.277 1.298 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CCC(F)(F)C1 ZINC000593153104 342773983 /nfs/dbraw/zinc/77/39/83/342773983.db2.gz IEECMARIDFWKAF-GXSJLCMTSA-N 1 2 259.300 1.382 20 30 CDEDLO COc1cc(OC)c(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1F ZINC000593637383 342821385 /nfs/dbraw/zinc/82/13/85/342821385.db2.gz UIGBYNUAYCXRCS-HNNXBMFYSA-N 1 2 294.326 1.693 20 30 CDEDLO COc1cc(OC)c(C[N@H+]2CC[C@@](O)(CC#N)C2)cc1F ZINC000593637383 342821386 /nfs/dbraw/zinc/82/13/86/342821386.db2.gz UIGBYNUAYCXRCS-HNNXBMFYSA-N 1 2 294.326 1.693 20 30 CDEDLO CC[C@H](C#N)N(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000594094548 342873395 /nfs/dbraw/zinc/87/33/95/342873395.db2.gz MIDVJBWVMXKWAW-CYBMUJFWSA-N 1 2 270.336 1.946 20 30 CDEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1c[nH+]c[nH]1 ZINC000594297179 342888803 /nfs/dbraw/zinc/88/88/03/342888803.db2.gz CVIMUVMQQKYLST-NSHDSACASA-N 1 2 268.320 1.776 20 30 CDEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1c[nH]c[nH+]1 ZINC000594297179 342888805 /nfs/dbraw/zinc/88/88/05/342888805.db2.gz CVIMUVMQQKYLST-NSHDSACASA-N 1 2 268.320 1.776 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C1(C#N)CC(C)C1 ZINC000619140223 349637554 /nfs/dbraw/zinc/63/75/54/349637554.db2.gz LIHHXIMGCYKFSB-OWYJLGKBSA-N 1 2 279.384 1.105 20 30 CDEDLO C=CCCSCCNC(=O)NCCn1cc[nH+]c1 ZINC000594687062 342941490 /nfs/dbraw/zinc/94/14/90/342941490.db2.gz QKGWNMZQRFHSKA-UHFFFAOYSA-N 1 2 268.386 1.492 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000334710137 529488679 /nfs/dbraw/zinc/48/86/79/529488679.db2.gz HCQVGAHCAJGTMD-FZMZJTMJSA-N 1 2 260.341 1.676 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC000595104917 343004356 /nfs/dbraw/zinc/00/43/56/343004356.db2.gz ADLOIPFCRVHDIH-JGVFFNPUSA-N 1 2 256.327 1.127 20 30 CDEDLO Cn1cc(N2CC[NH+](Cc3ccc(C#N)s3)CC2)cn1 ZINC000126114082 187218344 /nfs/dbraw/zinc/21/83/44/187218344.db2.gz LEPQQOXLSVDTFT-UHFFFAOYSA-N 1 2 287.392 1.675 20 30 CDEDLO CN(CC(=O)NCC#N)Cc1[nH+]ccn1Cc1ccccc1 ZINC000075915510 342316318 /nfs/dbraw/zinc/31/63/18/342316318.db2.gz NUTFEYCIBPKECS-UHFFFAOYSA-N 1 2 297.362 1.003 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000076185497 342319978 /nfs/dbraw/zinc/31/99/78/342319978.db2.gz VZICVTJSTNQLQF-HNNXBMFYSA-N 1 2 268.360 1.774 20 30 CDEDLO C#CC[NH+]1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000265240025 362006329 /nfs/dbraw/zinc/00/63/29/362006329.db2.gz OKIYEZULOVRUEK-UHFFFAOYSA-N 1 2 294.280 1.727 20 30 CDEDLO C[N@@H+](Cc1cnc[nH]1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000595595007 343097292 /nfs/dbraw/zinc/09/72/92/343097292.db2.gz AIUVJDSNPYBRDU-CQSZACIVSA-N 1 2 286.335 1.153 20 30 CDEDLO C[N@H+](Cc1cnc[nH]1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000595595007 343097294 /nfs/dbraw/zinc/09/72/94/343097294.db2.gz AIUVJDSNPYBRDU-CQSZACIVSA-N 1 2 286.335 1.153 20 30 CDEDLO C[N@@H+](Cc1c[nH]cn1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000595595007 343097295 /nfs/dbraw/zinc/09/72/95/343097295.db2.gz AIUVJDSNPYBRDU-CQSZACIVSA-N 1 2 286.335 1.153 20 30 CDEDLO C[N@H+](Cc1c[nH]cn1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000595595007 343097297 /nfs/dbraw/zinc/09/72/97/343097297.db2.gz AIUVJDSNPYBRDU-CQSZACIVSA-N 1 2 286.335 1.153 20 30 CDEDLO C[N@@H+](Cc1cnc[nH]1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000595595006 343097345 /nfs/dbraw/zinc/09/73/45/343097345.db2.gz AIUVJDSNPYBRDU-AWEZNQCLSA-N 1 2 286.335 1.153 20 30 CDEDLO C[N@H+](Cc1cnc[nH]1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000595595006 343097346 /nfs/dbraw/zinc/09/73/46/343097346.db2.gz AIUVJDSNPYBRDU-AWEZNQCLSA-N 1 2 286.335 1.153 20 30 CDEDLO C[N@@H+](Cc1c[nH]cn1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000595595006 343097348 /nfs/dbraw/zinc/09/73/48/343097348.db2.gz AIUVJDSNPYBRDU-AWEZNQCLSA-N 1 2 286.335 1.153 20 30 CDEDLO C[N@H+](Cc1c[nH]cn1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000595595006 343097349 /nfs/dbraw/zinc/09/73/49/343097349.db2.gz AIUVJDSNPYBRDU-AWEZNQCLSA-N 1 2 286.335 1.153 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3cccnc3N)CC2)nc1 ZINC000290097833 362079870 /nfs/dbraw/zinc/07/98/70/362079870.db2.gz RRHWAMIWPUOUBT-UHFFFAOYSA-N 1 2 294.362 1.253 20 30 CDEDLO C[C@@H]1C[N@H+](CCNc2cnccc2C#N)[C@@H](C)CO1 ZINC000596430276 343319325 /nfs/dbraw/zinc/31/93/25/343319325.db2.gz LAQDJJDOUIPLHS-NWDGAFQWSA-N 1 2 260.341 1.474 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNc2cnccc2C#N)[C@@H](C)CO1 ZINC000596430276 343319326 /nfs/dbraw/zinc/31/93/26/343319326.db2.gz LAQDJJDOUIPLHS-NWDGAFQWSA-N 1 2 260.341 1.474 20 30 CDEDLO Cc1cc(N[C@@H]2CCC[C@H]([S@](C)=O)C2)c(C#N)c[nH+]1 ZINC000596365475 343305461 /nfs/dbraw/zinc/30/54/61/343305461.db2.gz IZJKIIZKZVNTMU-NQCMUKECSA-N 1 2 277.393 1.785 20 30 CDEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)[C@@H]1C ZINC000330184527 362173278 /nfs/dbraw/zinc/17/32/78/362173278.db2.gz IOOMIAARFQKYFY-IJLUTSLNSA-N 1 2 262.357 1.842 20 30 CDEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)[C@@H]1C ZINC000330184527 362173279 /nfs/dbraw/zinc/17/32/79/362173279.db2.gz IOOMIAARFQKYFY-IJLUTSLNSA-N 1 2 262.357 1.842 20 30 CDEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000091897992 342408955 /nfs/dbraw/zinc/40/89/55/342408955.db2.gz VWGLQSNRDOWDIC-CYBMUJFWSA-N 1 2 297.380 1.053 20 30 CDEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000091897992 342408956 /nfs/dbraw/zinc/40/89/56/342408956.db2.gz VWGLQSNRDOWDIC-CYBMUJFWSA-N 1 2 297.380 1.053 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](C#N)C(C)(C)C ZINC000597351408 343509863 /nfs/dbraw/zinc/50/98/63/343509863.db2.gz QMSOZCVOVPSMHU-CKYFFXLPSA-N 1 2 260.341 1.578 20 30 CDEDLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@]1(C#N)CC12CCCC2 ZINC000597856455 343647492 /nfs/dbraw/zinc/64/74/92/343647492.db2.gz GPOKNAPRIZAGFU-CQSZACIVSA-N 1 2 258.325 1.842 20 30 CDEDLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@]1(C#N)CC12CCCC2 ZINC000597856455 343647493 /nfs/dbraw/zinc/64/74/93/343647493.db2.gz GPOKNAPRIZAGFU-CQSZACIVSA-N 1 2 258.325 1.842 20 30 CDEDLO CCN1CC[N@@H+](CCOc2ccc(C#N)cc2)C[C@H]1C ZINC000250250125 349824678 /nfs/dbraw/zinc/82/46/78/349824678.db2.gz ILMQXJHHCDWWQL-CQSZACIVSA-N 1 2 273.380 1.963 20 30 CDEDLO N#CC1(CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000597783599 343633845 /nfs/dbraw/zinc/63/38/45/343633845.db2.gz LFUKJVZISZSADF-SNVBAGLBSA-N 1 2 258.325 1.325 20 30 CDEDLO N#CC1(CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000597783599 343633848 /nfs/dbraw/zinc/63/38/48/343633848.db2.gz LFUKJVZISZSADF-SNVBAGLBSA-N 1 2 258.325 1.325 20 30 CDEDLO C[C@@H](C#N)N(C(=O)Cc1cn2ccccc2[nH+]1)C1CC1 ZINC000598126493 343717652 /nfs/dbraw/zinc/71/76/52/343717652.db2.gz WFBDBXUZBDFJFV-NSHDSACASA-N 1 2 268.320 1.780 20 30 CDEDLO C[C@H](C#N)N(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000598135573 343724676 /nfs/dbraw/zinc/72/46/76/343724676.db2.gz YKHDUDAJVVZOKF-MNOVXSKESA-N 1 2 258.325 1.349 20 30 CDEDLO Cn1cc(Cl)cc1C[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000347063050 529831709 /nfs/dbraw/zinc/83/17/09/529831709.db2.gz WHLOTJVXWIFYBZ-UHFFFAOYSA-N 1 2 294.786 1.673 20 30 CDEDLO Cn1cc(Cl)cc1C[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000347063050 529831711 /nfs/dbraw/zinc/83/17/11/529831711.db2.gz WHLOTJVXWIFYBZ-UHFFFAOYSA-N 1 2 294.786 1.673 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000619721894 349872233 /nfs/dbraw/zinc/87/22/33/349872233.db2.gz YFEREBWVDXXORV-QWHCGFSZSA-N 1 2 253.342 1.605 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000619721894 349872236 /nfs/dbraw/zinc/87/22/36/349872236.db2.gz YFEREBWVDXXORV-QWHCGFSZSA-N 1 2 253.342 1.605 20 30 CDEDLO Cn1cc([C@@H]2C[N@H+](C[C@@H](O)CC(C)(C)C#N)CCO2)cn1 ZINC000598592915 343839184 /nfs/dbraw/zinc/83/91/84/343839184.db2.gz NCTJOBSOJVELEP-KBPBESRZSA-N 1 2 292.383 1.094 20 30 CDEDLO Cn1cc([C@@H]2C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CCO2)cn1 ZINC000598592915 343839185 /nfs/dbraw/zinc/83/91/85/343839185.db2.gz NCTJOBSOJVELEP-KBPBESRZSA-N 1 2 292.383 1.094 20 30 CDEDLO C=C[C@@](C)(O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000612067667 347000813 /nfs/dbraw/zinc/00/08/13/347000813.db2.gz ILHUVDVIICEPBB-QGZVFWFLSA-N 1 2 299.374 1.679 20 30 CDEDLO C[C@]1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCCOC1 ZINC000330299263 362277048 /nfs/dbraw/zinc/27/70/48/362277048.db2.gz HXDOVQXXJZJOGY-RISCZKNCSA-N 1 2 263.341 1.971 20 30 CDEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000599516883 344073320 /nfs/dbraw/zinc/07/33/20/344073320.db2.gz YXRLJPXSNMEIGB-GFCCVEGCSA-N 1 2 293.317 1.784 20 30 CDEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000599516883 344073322 /nfs/dbraw/zinc/07/33/22/344073322.db2.gz YXRLJPXSNMEIGB-GFCCVEGCSA-N 1 2 293.317 1.784 20 30 CDEDLO CC(C)C[C@H](C(=O)N1CCN(CC#N)CC1)n1cc[nH+]c1 ZINC000602102696 344335546 /nfs/dbraw/zinc/33/55/46/344335546.db2.gz KYHYDWMOJBNALF-CQSZACIVSA-N 1 2 289.383 1.138 20 30 CDEDLO C=C(C)C[N@@H+](C)Cc1nnnn1CCOCC(F)(F)F ZINC000447297389 362419276 /nfs/dbraw/zinc/41/92/76/362419276.db2.gz VZTHTLVFJIGGHQ-UHFFFAOYSA-N 1 2 293.293 1.260 20 30 CDEDLO C=C(C)C[N@H+](C)Cc1nnnn1CCOCC(F)(F)F ZINC000447297389 362419280 /nfs/dbraw/zinc/41/92/80/362419280.db2.gz VZTHTLVFJIGGHQ-UHFFFAOYSA-N 1 2 293.293 1.260 20 30 CDEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccns2)CC1 ZINC000602795148 344585963 /nfs/dbraw/zinc/58/59/63/344585963.db2.gz MBRHVAZSXUCDLC-ZDUSSCGKSA-N 1 2 264.398 1.809 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCCc1ccc(F)cc1 ZINC000602861915 344617180 /nfs/dbraw/zinc/61/71/80/344617180.db2.gz IFYDGPCZTUTLBD-LLVKDONJSA-N 1 2 263.316 1.376 20 30 CDEDLO CC(C)OCCN1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602785869 344599263 /nfs/dbraw/zinc/59/92/63/344599263.db2.gz WKGNZBVWHHBTAW-UHFFFAOYSA-N 1 2 265.401 1.723 20 30 CDEDLO CC(C)OC[C@H]1C[N@H+](CC2(CC#N)CC2)CCO1 ZINC000602810755 344602879 /nfs/dbraw/zinc/60/28/79/344602879.db2.gz IQXOFUQOMQSWTN-CYBMUJFWSA-N 1 2 252.358 1.806 20 30 CDEDLO CC(C)OC[C@H]1C[N@@H+](CC2(CC#N)CC2)CCO1 ZINC000602810755 344602881 /nfs/dbraw/zinc/60/28/81/344602881.db2.gz IQXOFUQOMQSWTN-CYBMUJFWSA-N 1 2 252.358 1.806 20 30 CDEDLO COc1cccc(CNC(=O)C[NH2+][C@H](C)CC#N)c1 ZINC000602866414 344639096 /nfs/dbraw/zinc/63/90/96/344639096.db2.gz ZXSBDEKOXDPYHL-LLVKDONJSA-N 1 2 261.325 1.203 20 30 CDEDLO Cc1cccn2c(=O)cc(C[NH2+][C@H](C)CC#N)nc12 ZINC000602870722 344641137 /nfs/dbraw/zinc/64/11/37/344641137.db2.gz WAQIJYDODHTPLZ-LLVKDONJSA-N 1 2 256.309 1.395 20 30 CDEDLO C=CCCCCCn1cc(C[C@@H]([NH3+])C(=O)OC)nn1 ZINC000603218449 344746758 /nfs/dbraw/zinc/74/67/58/344746758.db2.gz BXQDAFLKSQRDMH-GFCCVEGCSA-N 1 2 266.345 1.067 20 30 CDEDLO CC(C)CC[N@H+](CCC#N)CCS(=O)(=O)N(C)C ZINC000352027137 345891871 /nfs/dbraw/zinc/89/18/71/345891871.db2.gz NTJQHIQIAOMZAB-UHFFFAOYSA-N 1 2 275.418 1.140 20 30 CDEDLO CC(C)CC[N@@H+](CCC#N)CCS(=O)(=O)N(C)C ZINC000352027137 345891874 /nfs/dbraw/zinc/89/18/74/345891874.db2.gz NTJQHIQIAOMZAB-UHFFFAOYSA-N 1 2 275.418 1.140 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000611236283 346704215 /nfs/dbraw/zinc/70/42/15/346704215.db2.gz GNZDUIAFYHTFFV-UHFFFAOYSA-N 1 2 268.320 1.848 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCc2cn[nH]c2C1 ZINC000611236283 346704217 /nfs/dbraw/zinc/70/42/17/346704217.db2.gz GNZDUIAFYHTFFV-UHFFFAOYSA-N 1 2 268.320 1.848 20 30 CDEDLO C[C@@]1(C#N)CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000612365454 347132913 /nfs/dbraw/zinc/13/29/13/347132913.db2.gz WJGCSDAOYVHJQU-AWEZNQCLSA-N 1 2 260.341 1.816 20 30 CDEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@]2(C#N)C[C@H]2C)CC1 ZINC000449868567 362776841 /nfs/dbraw/zinc/77/68/41/362776841.db2.gz IWYAIKQVBPVYDQ-CPUCHLNUSA-N 1 2 298.390 1.837 20 30 CDEDLO C=CCNC(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000059261422 347410856 /nfs/dbraw/zinc/41/08/56/347410856.db2.gz NLEWASJDPBBJSN-UHFFFAOYSA-N 1 2 262.357 1.913 20 30 CDEDLO C#C[C@H](NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)C(C)(C)C ZINC000491640745 347585211 /nfs/dbraw/zinc/58/52/11/347585211.db2.gz OUXHZXGOTBVDLC-MCIONIFRSA-N 1 2 295.427 1.443 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](CNC(=O)CCC)C1 ZINC000619717174 348182988 /nfs/dbraw/zinc/18/29/88/348182988.db2.gz FFNFCFKVWKWXSA-STQMWFEESA-N 1 2 282.384 1.342 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](CNC(=O)CCC)C1 ZINC000619717174 348182991 /nfs/dbraw/zinc/18/29/91/348182991.db2.gz FFNFCFKVWKWXSA-STQMWFEESA-N 1 2 282.384 1.342 20 30 CDEDLO Cc1nnc(N2CC[NH+](Cc3ccccc3C#N)CC2)n1C ZINC000602940293 350167431 /nfs/dbraw/zinc/16/74/31/350167431.db2.gz FEXSOSOQIPGSGS-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO COCc1cc(C[NH2+]Cc2cccc(C#N)c2)no1 ZINC000603422892 350287347 /nfs/dbraw/zinc/28/73/47/350287347.db2.gz JTEWQIOUESJGPJ-UHFFFAOYSA-N 1 2 257.293 1.982 20 30 CDEDLO C=CC[N@H+](Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 ZINC000092361653 180368032 /nfs/dbraw/zinc/36/80/32/180368032.db2.gz HNCFIRQKJLPENY-LBPRGKRZSA-N 1 2 271.407 1.923 20 30 CDEDLO C=CC[N@@H+](Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 ZINC000092361653 180368034 /nfs/dbraw/zinc/36/80/34/180368034.db2.gz HNCFIRQKJLPENY-LBPRGKRZSA-N 1 2 271.407 1.923 20 30 CDEDLO C=C[C@@H](CO)NC(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000292219847 198206143 /nfs/dbraw/zinc/20/61/43/198206143.db2.gz DFERWFWDFJCLPW-ZDUSSCGKSA-N 1 2 292.383 1.274 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2oc(C(C)C)nc2C)CC1 ZINC000292400282 198273759 /nfs/dbraw/zinc/27/37/59/198273759.db2.gz YFKGVBMIIBVBEU-UHFFFAOYSA-N 1 2 289.379 1.888 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@@H](O)C(C)(C)C2)c(C#N)c1C ZINC000279659451 363249164 /nfs/dbraw/zinc/24/91/64/363249164.db2.gz CKHAEUIKLITKLU-GFCCVEGCSA-N 1 2 291.351 1.409 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2C[C@@H](O)C(C)(C)C2)c(C#N)c1C ZINC000279659451 363249171 /nfs/dbraw/zinc/24/91/71/363249171.db2.gz CKHAEUIKLITKLU-GFCCVEGCSA-N 1 2 291.351 1.409 20 30 CDEDLO N#CCc1ccc(OC[C@@H](O)Cn2cc[nH+]c2)cc1 ZINC000025866028 358482404 /nfs/dbraw/zinc/48/24/04/358482404.db2.gz WPTSDUICJGFKPA-ZDUSSCGKSA-N 1 2 257.293 1.389 20 30 CDEDLO CC[N@H+](CCS(C)(=O)=O)Cc1ccc(C#N)cc1OC ZINC000121577597 366170388 /nfs/dbraw/zinc/17/03/88/366170388.db2.gz ZWPMQLMWOZBUFZ-UHFFFAOYSA-N 1 2 296.392 1.433 20 30 CDEDLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccc(C#N)cc1OC ZINC000121577597 366170396 /nfs/dbraw/zinc/17/03/96/366170396.db2.gz ZWPMQLMWOZBUFZ-UHFFFAOYSA-N 1 2 296.392 1.433 20 30 CDEDLO CC1(C)CCCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H]1C#N ZINC000492865093 366184111 /nfs/dbraw/zinc/18/41/11/366184111.db2.gz OGKPYHFBLRYOJE-QMAVJUDZSA-N 1 2 258.325 1.964 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1cccc(F)c1 ZINC000493223812 366210043 /nfs/dbraw/zinc/21/00/43/366210043.db2.gz RVLTYOGSYMGKPF-LZNQSLFOSA-N 1 2 275.327 1.799 20 30 CDEDLO Cn1ncnc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000271859584 191372653 /nfs/dbraw/zinc/37/26/53/191372653.db2.gz ZBUPPNBOJMBMCU-UHFFFAOYSA-N 1 2 253.309 1.466 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000342724272 356148105 /nfs/dbraw/zinc/14/81/05/356148105.db2.gz GJNSHPJOWSZWHO-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000342724272 356148108 /nfs/dbraw/zinc/14/81/08/356148108.db2.gz GJNSHPJOWSZWHO-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)s2)[C@@H](C)C[N@@H+]1C ZINC000336555423 356207567 /nfs/dbraw/zinc/20/75/67/356207567.db2.gz UWXDIYHJDGVFJF-ZJUUUORDSA-N 1 2 263.366 1.784 20 30 CDEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)s2)[C@@H](C)C[N@H+]1C ZINC000336555423 356207570 /nfs/dbraw/zinc/20/75/70/356207570.db2.gz UWXDIYHJDGVFJF-ZJUUUORDSA-N 1 2 263.366 1.784 20 30 CDEDLO C[C@@H](O)C[NH+]1CCN(c2nccc(C#N)c2Cl)CC1 ZINC000342998584 356419126 /nfs/dbraw/zinc/41/91/26/356419126.db2.gz IUPCUNIVZBWJHE-SNVBAGLBSA-N 1 2 280.759 1.109 20 30 CDEDLO N#CCCC1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493419172 366353734 /nfs/dbraw/zinc/35/37/34/366353734.db2.gz ISEAPINBUXEPLR-ARJAWSKDSA-N 1 2 258.325 1.965 20 30 CDEDLO CC1(C#N)CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329503071 538577148 /nfs/dbraw/zinc/57/71/48/538577148.db2.gz AMDSDLNTXQLYJJ-LLVKDONJSA-N 1 2 287.367 1.807 20 30 CDEDLO CC1(C#N)CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329503071 538577154 /nfs/dbraw/zinc/57/71/54/538577154.db2.gz AMDSDLNTXQLYJJ-LLVKDONJSA-N 1 2 287.367 1.807 20 30 CDEDLO Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCn2cc[nH+]c2C1 ZINC000329841458 538695820 /nfs/dbraw/zinc/69/58/20/538695820.db2.gz NNNVNNFEIDLWGW-SNVBAGLBSA-N 1 2 288.355 1.416 20 30 CDEDLO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000366488024 363569822 /nfs/dbraw/zinc/56/98/22/363569822.db2.gz HNTNTSYBCJPIAA-LBPRGKRZSA-N 1 2 296.367 1.564 20 30 CDEDLO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000366488024 363569827 /nfs/dbraw/zinc/56/98/27/363569827.db2.gz HNTNTSYBCJPIAA-LBPRGKRZSA-N 1 2 296.367 1.564 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000299388073 357056901 /nfs/dbraw/zinc/05/69/01/357056901.db2.gz TVVBZSIKLKVKCI-KFWWJZLASA-N 1 2 260.381 1.638 20 30 CDEDLO COc1ccc(C[N@@H+]2CCNC(=O)[C@H]2C(C)C)cc1C#N ZINC000135064578 357369437 /nfs/dbraw/zinc/36/94/37/357369437.db2.gz QAJNPPBURPBKJY-OAHLLOKOSA-N 1 2 287.363 1.523 20 30 CDEDLO COc1ccc(C[N@H+]2CCNC(=O)[C@H]2C(C)C)cc1C#N ZINC000135064578 357369439 /nfs/dbraw/zinc/36/94/39/357369439.db2.gz QAJNPPBURPBKJY-OAHLLOKOSA-N 1 2 287.363 1.523 20 30 CDEDLO C[N@H+](Cc1ccc(F)cc1C#N)C1(C(N)=O)CCCC1 ZINC000120204876 357327393 /nfs/dbraw/zinc/32/73/93/357327393.db2.gz SSSSIONQPJDEDB-UHFFFAOYSA-N 1 2 275.327 1.927 20 30 CDEDLO C[N@@H+](Cc1ccc(F)cc1C#N)C1(C(N)=O)CCCC1 ZINC000120204876 357327398 /nfs/dbraw/zinc/32/73/98/357327398.db2.gz SSSSIONQPJDEDB-UHFFFAOYSA-N 1 2 275.327 1.927 20 30 CDEDLO Cc1ncsc1C[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000066564950 357571455 /nfs/dbraw/zinc/57/14/55/357571455.db2.gz LVGSSVLZICTTAE-NSHDSACASA-N 1 2 280.397 1.644 20 30 CDEDLO Cc1ncsc1C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000066564950 357571460 /nfs/dbraw/zinc/57/14/60/357571460.db2.gz LVGSSVLZICTTAE-NSHDSACASA-N 1 2 280.397 1.644 20 30 CDEDLO COCC1=CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000185864236 357586374 /nfs/dbraw/zinc/58/63/74/357586374.db2.gz LDXHPXCDCMFDAU-OAHLLOKOSA-N 1 2 279.384 1.319 20 30 CDEDLO COCC1=CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000185864236 357586382 /nfs/dbraw/zinc/58/63/82/357586382.db2.gz LDXHPXCDCMFDAU-OAHLLOKOSA-N 1 2 279.384 1.319 20 30 CDEDLO COCC#CC[NH+]1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000644778594 357886953 /nfs/dbraw/zinc/88/69/53/357886953.db2.gz WSUWATIMSLJVKB-KBPBESRZSA-N 1 2 280.412 1.604 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2ccc(OC)c(C#N)c2)C[C@H](C)O1 ZINC000189374052 358001630 /nfs/dbraw/zinc/00/16/30/358001630.db2.gz RCUPETPWCDOOBN-SWLSCSKDSA-N 1 2 290.363 1.803 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2ccc(OC)c(C#N)c2)C[C@H](C)O1 ZINC000189374052 358001633 /nfs/dbraw/zinc/00/16/33/358001633.db2.gz RCUPETPWCDOOBN-SWLSCSKDSA-N 1 2 290.363 1.803 20 30 CDEDLO OC(=Cc1cccc(F)c1F)NC1=[NH+]CCS1 ZINC000087005921 358318785 /nfs/dbraw/zinc/31/87/85/358318785.db2.gz OZLCXVNOGOGNCX-UHFFFAOYSA-N 1 2 256.277 1.726 20 30 CDEDLO Cc1cc2[nH+]cn(C[C@H](O)CN3CC(C#N)C3)c2cc1C ZINC000590777059 358517172 /nfs/dbraw/zinc/51/71/72/358517172.db2.gz DXMUHUUGRABZAR-CQSZACIVSA-N 1 2 284.363 1.469 20 30 CDEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1nccs1 ZINC000184406162 358731713 /nfs/dbraw/zinc/73/17/13/358731713.db2.gz WEFVKCIUSUFMED-NSHDSACASA-N 1 2 265.382 1.994 20 30 CDEDLO CCOC(=O)N1CCC[N@H+](CC2(C#N)CC2)CC1 ZINC000494397932 366503765 /nfs/dbraw/zinc/50/37/65/366503765.db2.gz BCCIZHNCHXQMAA-UHFFFAOYSA-N 1 2 251.330 1.454 20 30 CDEDLO CCOC(=O)N1CCC[N@@H+](CC2(C#N)CC2)CC1 ZINC000494397932 366503773 /nfs/dbraw/zinc/50/37/73/366503773.db2.gz BCCIZHNCHXQMAA-UHFFFAOYSA-N 1 2 251.330 1.454 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000335199555 359036514 /nfs/dbraw/zinc/03/65/14/359036514.db2.gz CXYIOQVQOCVLTQ-ZIAGYGMSSA-N 1 2 265.401 1.189 20 30 CDEDLO C=C(C)CN(CC)C(=O)NCCCn1cc[nH+]c1 ZINC000079065669 359113988 /nfs/dbraw/zinc/11/39/88/359113988.db2.gz KNYDSYVLROKRKC-UHFFFAOYSA-N 1 2 250.346 1.881 20 30 CDEDLO N#Cc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000152532156 359280870 /nfs/dbraw/zinc/28/08/70/359280870.db2.gz GJPTXYIUAYLFID-OAHLLOKOSA-N 1 2 292.342 1.962 20 30 CDEDLO CN1CC[C@@H]([N@H+](C)CC#Cc2ccc(F)cc2)C1=O ZINC000269597173 359373332 /nfs/dbraw/zinc/37/33/32/359373332.db2.gz LNMQKAFLAPAQRZ-CQSZACIVSA-N 1 2 260.312 1.340 20 30 CDEDLO CN1CC[C@@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C1=O ZINC000269597173 359373335 /nfs/dbraw/zinc/37/33/35/359373335.db2.gz LNMQKAFLAPAQRZ-CQSZACIVSA-N 1 2 260.312 1.340 20 30 CDEDLO CC#CC(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000277854465 359574696 /nfs/dbraw/zinc/57/46/96/359574696.db2.gz YYIJXQVUCDEIPV-UHFFFAOYSA-N 1 2 272.348 1.789 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCC[C@@]1(CCC)C(=O)OCC ZINC000277893479 359575314 /nfs/dbraw/zinc/57/53/14/359575314.db2.gz WCBGAUKJHQPDSK-HNNXBMFYSA-N 1 2 282.384 1.486 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@]1(CCC)C(=O)OCC ZINC000277893479 359575322 /nfs/dbraw/zinc/57/53/22/359575322.db2.gz WCBGAUKJHQPDSK-HNNXBMFYSA-N 1 2 282.384 1.486 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)[C@H](C(N)=O)C1 ZINC000571816314 359617987 /nfs/dbraw/zinc/61/79/87/359617987.db2.gz WRMAUOKLMAOMRX-GWCFXTLKSA-N 1 2 258.325 1.039 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cn2)[C@H](C(N)=O)C1 ZINC000571816314 359617988 /nfs/dbraw/zinc/61/79/88/359617988.db2.gz WRMAUOKLMAOMRX-GWCFXTLKSA-N 1 2 258.325 1.039 20 30 CDEDLO C=CCOCCC[N@@H+]1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000348038235 359788888 /nfs/dbraw/zinc/78/88/88/359788888.db2.gz RYAOJWXADSLYDZ-LBPRGKRZSA-N 1 2 266.345 1.079 20 30 CDEDLO C=CCOCCC[N@H+]1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000348038235 359788895 /nfs/dbraw/zinc/78/88/95/359788895.db2.gz RYAOJWXADSLYDZ-LBPRGKRZSA-N 1 2 266.345 1.079 20 30 CDEDLO C=CCOCCC[N@@H+]1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000348038235 359788901 /nfs/dbraw/zinc/78/89/01/359788901.db2.gz RYAOJWXADSLYDZ-LBPRGKRZSA-N 1 2 266.345 1.079 20 30 CDEDLO C=CCOCCC[N@H+]1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000348038235 359788905 /nfs/dbraw/zinc/78/89/05/359788905.db2.gz RYAOJWXADSLYDZ-LBPRGKRZSA-N 1 2 266.345 1.079 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1nc(C)no1 ZINC000348116141 359842799 /nfs/dbraw/zinc/84/27/99/359842799.db2.gz VTZXJFCVJNGSEV-VHSXEESVSA-N 1 2 279.344 1.037 20 30 CDEDLO C=CCOCCC[N@@H+]1CCO[C@H](c2nnc(CC)o2)C1 ZINC000348173728 359872192 /nfs/dbraw/zinc/87/21/92/359872192.db2.gz AVVFXERKYTWJEJ-LBPRGKRZSA-N 1 2 281.356 1.598 20 30 CDEDLO C=CCOCCC[N@H+]1CCO[C@H](c2nnc(CC)o2)C1 ZINC000348173728 359872195 /nfs/dbraw/zinc/87/21/95/359872195.db2.gz AVVFXERKYTWJEJ-LBPRGKRZSA-N 1 2 281.356 1.598 20 30 CDEDLO C=CCOCC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000337575024 360243568 /nfs/dbraw/zinc/24/35/68/360243568.db2.gz FREMCMYEAJAOIE-CQSZACIVSA-N 1 2 278.327 1.501 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000424666449 360335490 /nfs/dbraw/zinc/33/54/90/360335490.db2.gz NXEJINGGWTYYNL-ZDUSSCGKSA-N 1 2 266.385 1.568 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000424666449 360335494 /nfs/dbraw/zinc/33/54/94/360335494.db2.gz NXEJINGGWTYYNL-ZDUSSCGKSA-N 1 2 266.385 1.568 20 30 CDEDLO COCC[NH+]1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000177400112 189047985 /nfs/dbraw/zinc/04/79/85/189047985.db2.gz KHIACDVRXINVIP-UHFFFAOYSA-N 1 2 279.365 1.024 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000245606224 360719601 /nfs/dbraw/zinc/71/96/01/360719601.db2.gz KBPUIRVXEZUSNX-JSGCOSHPSA-N 1 2 289.383 1.397 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000245606224 360719602 /nfs/dbraw/zinc/71/96/02/360719602.db2.gz KBPUIRVXEZUSNX-JSGCOSHPSA-N 1 2 289.383 1.397 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cnc3onc(C)c3c2)CC1 ZINC000299340305 200686079 /nfs/dbraw/zinc/68/60/79/200686079.db2.gz REMACVZXTVQWDH-UHFFFAOYSA-N 1 2 298.346 1.312 20 30 CDEDLO C#CCCOc1ccc(C[N@@H+]2CCNC(=O)C2)cc1 ZINC000179594013 189205517 /nfs/dbraw/zinc/20/55/17/189205517.db2.gz OJIQTFVQTAIMIP-UHFFFAOYSA-N 1 2 258.321 1.021 20 30 CDEDLO C#CCCOc1ccc(C[N@H+]2CCNC(=O)C2)cc1 ZINC000179594013 189205518 /nfs/dbraw/zinc/20/55/18/189205518.db2.gz OJIQTFVQTAIMIP-UHFFFAOYSA-N 1 2 258.321 1.021 20 30 CDEDLO C=CCC(C)(C)CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000432114897 361110225 /nfs/dbraw/zinc/11/02/25/361110225.db2.gz DXPFOXIONZSKGJ-KGLIPLIRSA-N 1 2 297.443 1.997 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOC2(CCCC2)C1 ZINC000158383448 361223829 /nfs/dbraw/zinc/22/38/29/361223829.db2.gz ADKOHRRYGHAYLQ-CQSZACIVSA-N 1 2 293.411 1.640 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOC2(CCCC2)C1 ZINC000158383448 361223833 /nfs/dbraw/zinc/22/38/33/361223833.db2.gz ADKOHRRYGHAYLQ-CQSZACIVSA-N 1 2 293.411 1.640 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@](C)(O)C1 ZINC000267615580 361229195 /nfs/dbraw/zinc/22/91/95/361229195.db2.gz OWSAFHMMZIERBE-HIFRSBDPSA-N 1 2 274.320 1.229 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@](C)(O)C1 ZINC000267615580 361229197 /nfs/dbraw/zinc/22/91/97/361229197.db2.gz OWSAFHMMZIERBE-HIFRSBDPSA-N 1 2 274.320 1.229 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CC(C)(C)C#N ZINC000433301835 361230226 /nfs/dbraw/zinc/23/02/26/361230226.db2.gz WMSDHIQWTLMPKO-NSHDSACASA-N 1 2 262.357 1.419 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CC(C)(C)C#N ZINC000433301835 361230228 /nfs/dbraw/zinc/23/02/28/361230228.db2.gz WMSDHIQWTLMPKO-NSHDSACASA-N 1 2 262.357 1.419 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000267649573 361255207 /nfs/dbraw/zinc/25/52/07/361255207.db2.gz KQTIWCRBDORFEL-AWEZNQCLSA-N 1 2 262.284 1.645 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000267649573 361255213 /nfs/dbraw/zinc/25/52/13/361255213.db2.gz KQTIWCRBDORFEL-AWEZNQCLSA-N 1 2 262.284 1.645 20 30 CDEDLO CC(C)[C@@H](C(=O)Nc1ncn(C)n1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000329347450 361485783 /nfs/dbraw/zinc/48/57/83/361485783.db2.gz DGVMAPZKGSWTIY-UTUOFQBUSA-N 1 2 295.387 1.537 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccccc1OC(F)F ZINC000520478036 361524354 /nfs/dbraw/zinc/52/43/54/361524354.db2.gz FTULMYVBRCASOT-CQSZACIVSA-N 1 2 297.305 1.862 20 30 CDEDLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCc1ncc(C)cn1 ZINC000329389039 361496702 /nfs/dbraw/zinc/49/67/02/361496702.db2.gz QVKUGZREMZJOHR-LBPRGKRZSA-N 1 2 278.356 1.005 20 30 CDEDLO CC[N@H+]1CCOC[C@H]1C(=O)NCCc1ncc(C)cn1 ZINC000329389039 361496705 /nfs/dbraw/zinc/49/67/05/361496705.db2.gz QVKUGZREMZJOHR-LBPRGKRZSA-N 1 2 278.356 1.005 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@H](C(C)C)C1 ZINC000351147023 361607089 /nfs/dbraw/zinc/60/70/89/361607089.db2.gz QHMZOKKECUEHJA-CABCVRRESA-N 1 2 280.412 1.932 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000351147023 361607095 /nfs/dbraw/zinc/60/70/95/361607095.db2.gz QHMZOKKECUEHJA-CABCVRRESA-N 1 2 280.412 1.932 20 30 CDEDLO CCc1nsc(N2CC[NH+]([C@H](C)CCC#N)CC2)n1 ZINC000351420769 361671583 /nfs/dbraw/zinc/67/15/83/361671583.db2.gz RLCQLBVYCSKWGD-LLVKDONJSA-N 1 2 279.413 1.915 20 30 CDEDLO Cc1nc(C)n(C[C@@H]2C[N@H+]([C@H](C)CCC#N)CCO2)n1 ZINC000566564730 370765163 /nfs/dbraw/zinc/76/51/63/370765163.db2.gz UCHFLZZXCFRWFS-RISCZKNCSA-N 1 2 277.372 1.288 20 30 CDEDLO Cc1nc(C)n(C[C@@H]2C[N@@H+]([C@H](C)CCC#N)CCO2)n1 ZINC000566564730 370765167 /nfs/dbraw/zinc/76/51/67/370765167.db2.gz UCHFLZZXCFRWFS-RISCZKNCSA-N 1 2 277.372 1.288 20 30 CDEDLO C=C[C@H](C)Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000302921135 364601684 /nfs/dbraw/zinc/60/16/84/364601684.db2.gz ZXKCAZDIQMMGTE-RYUDHWBXSA-N 1 2 262.357 1.814 20 30 CDEDLO C=C[C@H](C)Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000302921135 364601687 /nfs/dbraw/zinc/60/16/87/364601687.db2.gz ZXKCAZDIQMMGTE-RYUDHWBXSA-N 1 2 262.357 1.814 20 30 CDEDLO C=CCCCn1cc(C[NH+]2CCC(OC)CC2)nn1 ZINC000640936117 364753176 /nfs/dbraw/zinc/75/31/76/364753176.db2.gz PARDQPWOYWKOSX-UHFFFAOYSA-N 1 2 264.373 1.855 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2cn3ccccc3c2C#N)[C@H](C(N)=O)C1 ZINC000187450945 364763333 /nfs/dbraw/zinc/76/33/33/364763333.db2.gz MVOMTRHDPSUGST-WBMJQRKESA-N 1 2 296.374 1.897 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)[C@H](C(N)=O)C1 ZINC000187450945 364763335 /nfs/dbraw/zinc/76/33/35/364763335.db2.gz MVOMTRHDPSUGST-WBMJQRKESA-N 1 2 296.374 1.897 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CC(C)(C)O ZINC000177078378 364767368 /nfs/dbraw/zinc/76/73/68/364767368.db2.gz UMFFXZOKGHQEEI-ZDUSSCGKSA-N 1 2 276.336 1.475 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(C)(C)O ZINC000177078378 364767374 /nfs/dbraw/zinc/76/73/74/364767374.db2.gz UMFFXZOKGHQEEI-ZDUSSCGKSA-N 1 2 276.336 1.475 20 30 CDEDLO C[C@@H](CC(=O)N1CCC(CC#N)CC1)n1cc[nH+]c1 ZINC000580204205 364884767 /nfs/dbraw/zinc/88/47/67/364884767.db2.gz WJSRXBSDVTUZMJ-LBPRGKRZSA-N 1 2 260.341 1.986 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCCC[C@H]1CCO ZINC000049801690 364908853 /nfs/dbraw/zinc/90/88/53/364908853.db2.gz WCDMOICRRXFIJJ-LBPRGKRZSA-N 1 2 293.392 1.795 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCC[C@H]1CCO ZINC000049801690 364908857 /nfs/dbraw/zinc/90/88/57/364908857.db2.gz WCDMOICRRXFIJJ-LBPRGKRZSA-N 1 2 293.392 1.795 20 30 CDEDLO C[C@H]1C[C@]1(C#N)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000566660049 370784695 /nfs/dbraw/zinc/78/46/95/370784695.db2.gz DAZLBSKCKWSDIS-NJZAAPMLSA-N 1 2 271.320 1.611 20 30 CDEDLO N#CCC1(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000566663069 370785956 /nfs/dbraw/zinc/78/59/56/370785956.db2.gz XHNVMOMCKLEEIF-LLVKDONJSA-N 1 2 273.340 1.191 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000275654788 193096250 /nfs/dbraw/zinc/09/62/50/193096250.db2.gz CPHYLNKIPYYDDV-MRXNPFEDSA-N 1 2 291.395 1.993 20 30 CDEDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000564728544 365517182 /nfs/dbraw/zinc/51/71/82/365517182.db2.gz CMBACVDIURNCMX-FZMZJTMJSA-N 1 2 285.351 1.600 20 30 CDEDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000564728544 365517187 /nfs/dbraw/zinc/51/71/87/365517187.db2.gz CMBACVDIURNCMX-FZMZJTMJSA-N 1 2 285.351 1.600 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc2ncsc2c1 ZINC000567160926 370897904 /nfs/dbraw/zinc/89/79/04/370897904.db2.gz DIXGXFAJZMYSGJ-GFCCVEGCSA-N 1 2 290.392 1.915 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc2ncsc2c1 ZINC000567160926 370897906 /nfs/dbraw/zinc/89/79/06/370897906.db2.gz DIXGXFAJZMYSGJ-GFCCVEGCSA-N 1 2 290.392 1.915 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnc2ccccc2c1 ZINC000574210441 335001261 /nfs/dbraw/zinc/00/12/61/335001261.db2.gz TXVOLMICJMPKAW-MRXNPFEDSA-N 1 2 282.347 1.808 20 30 CDEDLO C=CC[N@@H+](C[C@@H](O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000361315617 368743269 /nfs/dbraw/zinc/74/32/69/368743269.db2.gz LPPURBPPFVYXQP-KGLIPLIRSA-N 1 2 289.441 1.459 20 30 CDEDLO C=CC[N@H+](C[C@@H](O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000361315617 368743271 /nfs/dbraw/zinc/74/32/71/368743271.db2.gz LPPURBPPFVYXQP-KGLIPLIRSA-N 1 2 289.441 1.459 20 30 CDEDLO CC#CCCNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000361648829 368962297 /nfs/dbraw/zinc/96/22/97/368962297.db2.gz UWPJEWIWXNRBNT-KBPBESRZSA-N 1 2 274.368 1.889 20 30 CDEDLO CC[C@H]1C[N@H+](CCNC(=O)C2(C#N)CC(C)C2)CCO1 ZINC000572552989 370235045 /nfs/dbraw/zinc/23/50/45/370235045.db2.gz CDSFDPUDZLJYTA-OWYJLGKBSA-N 1 2 279.384 1.153 20 30 CDEDLO CC[C@H]1C[N@@H+](CCNC(=O)C2(C#N)CC(C)C2)CCO1 ZINC000572552989 370235048 /nfs/dbraw/zinc/23/50/48/370235048.db2.gz CDSFDPUDZLJYTA-OWYJLGKBSA-N 1 2 279.384 1.153 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000565479110 370455839 /nfs/dbraw/zinc/45/58/39/370455839.db2.gz JUEFGAAYVCGKKY-ZDUSSCGKSA-N 1 2 279.384 1.392 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000565479110 370455844 /nfs/dbraw/zinc/45/58/44/370455844.db2.gz JUEFGAAYVCGKKY-ZDUSSCGKSA-N 1 2 279.384 1.392 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000331808310 204186302 /nfs/dbraw/zinc/18/63/02/204186302.db2.gz YQTJHMXUAZYZTH-RISCZKNCSA-N 1 2 299.334 1.270 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000572885536 371330538 /nfs/dbraw/zinc/33/05/38/371330538.db2.gz DYCVRYKFOMONFN-CYBMUJFWSA-N 1 2 294.286 1.308 20 30 CDEDLO C=CCn1cc(C[NH2+][C@@H]2CCCc3nn(C)cc32)nn1 ZINC000573356973 371514212 /nfs/dbraw/zinc/51/42/12/371514212.db2.gz GLDDEPJBAPLOTH-CYBMUJFWSA-N 1 2 272.356 1.365 20 30 CDEDLO CCc1nnc(C[NH2+]Cc2ccc(C#N)c(OC)c2)[nH]1 ZINC000296084368 371597196 /nfs/dbraw/zinc/59/71/96/371597196.db2.gz QVFYOSTYHVXZAX-UHFFFAOYSA-N 1 2 271.324 1.537 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnn(-c2ccccc2)c1 ZINC000578272162 372370145 /nfs/dbraw/zinc/37/01/45/372370145.db2.gz USDBHFKCANEJFV-INIZCTEOSA-N 1 2 297.362 1.446 20 30 CDEDLO C=CCC[C@@H]1NC(=O)N([C@@H]2C[C@H](C)n3cc[nH+]c32)C1=O ZINC000581002178 372781529 /nfs/dbraw/zinc/78/15/29/372781529.db2.gz RQVHSQJLTSINHG-GARJFASQSA-N 1 2 274.324 1.776 20 30 CDEDLO COC(=O)[C@H]1CCN(c2cc(C)[nH+]cc2C#N)[C@H]1C ZINC000425256065 284371132 /nfs/dbraw/zinc/37/11/32/284371132.db2.gz OIFXAKWNJFUIHB-JQWIXIFHSA-N 1 2 259.309 1.650 20 30 CDEDLO CC[C@]1(C)COCC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000340898875 373089606 /nfs/dbraw/zinc/08/96/06/373089606.db2.gz HKJFWKHBRKEJDD-OAHLLOKOSA-N 1 2 292.383 1.143 20 30 CDEDLO CC[C@]1(C)COCC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000340898875 373089617 /nfs/dbraw/zinc/08/96/17/373089617.db2.gz HKJFWKHBRKEJDD-OAHLLOKOSA-N 1 2 292.383 1.143 20 30 CDEDLO C=CC[C@@H](CO)CNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000340882312 373094445 /nfs/dbraw/zinc/09/44/45/373094445.db2.gz NCTOLLDLIKUFRL-LLVKDONJSA-N 1 2 279.388 1.079 20 30 CDEDLO C=CC[C@@H](CO)CNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000340882312 373094454 /nfs/dbraw/zinc/09/44/54/373094454.db2.gz NCTOLLDLIKUFRL-LLVKDONJSA-N 1 2 279.388 1.079 20 30 CDEDLO CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000103140797 373839417 /nfs/dbraw/zinc/83/94/17/373839417.db2.gz AIDQDVZRZKFQAY-HNNXBMFYSA-N 1 2 275.327 1.798 20 30 CDEDLO CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000103140797 373839419 /nfs/dbraw/zinc/83/94/19/373839419.db2.gz AIDQDVZRZKFQAY-HNNXBMFYSA-N 1 2 275.327 1.798 20 30 CDEDLO C[N@H+](CCCS(C)(=O)=O)Cc1ccc(C#N)cc1 ZINC000103139916 373832668 /nfs/dbraw/zinc/83/26/68/373832668.db2.gz ZUSZMPJCTSVOET-UHFFFAOYSA-N 1 2 266.366 1.425 20 30 CDEDLO C[N@@H+](CCCS(C)(=O)=O)Cc1ccc(C#N)cc1 ZINC000103139916 373832673 /nfs/dbraw/zinc/83/26/73/373832673.db2.gz ZUSZMPJCTSVOET-UHFFFAOYSA-N 1 2 266.366 1.425 20 30 CDEDLO N#Cc1cccc(C#N)c1SCC[NH+]1CCOCC1 ZINC000302477358 373954125 /nfs/dbraw/zinc/95/41/25/373954125.db2.gz VRSOLFIRIIBTSU-UHFFFAOYSA-N 1 2 273.361 1.854 20 30 CDEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2ccn(C)n2)c1C#N ZINC000516006222 374171773 /nfs/dbraw/zinc/17/17/73/374171773.db2.gz QEUIFOQVAZYXTC-NSHDSACASA-N 1 2 298.346 1.929 20 30 CDEDLO Cn1cc(C[NH+]2CCC(CS(C)(=O)=O)CC2)cc1C#N ZINC000292884594 374324855 /nfs/dbraw/zinc/32/48/55/374324855.db2.gz YCHQUMIGIPOEDT-UHFFFAOYSA-N 1 2 295.408 1.153 20 30 CDEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCOCC3(CCC3)C2)c1 ZINC000368847514 374332808 /nfs/dbraw/zinc/33/28/08/374332808.db2.gz XSKNVAPULAJFLS-UHFFFAOYSA-N 1 2 299.374 1.999 20 30 CDEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCOCC3(CCC3)C2)c1 ZINC000368847514 374332816 /nfs/dbraw/zinc/33/28/16/374332816.db2.gz XSKNVAPULAJFLS-UHFFFAOYSA-N 1 2 299.374 1.999 20 30 CDEDLO COCC[N@@H+]1CCN(c2ncc(C#N)cc2Cl)C[C@@H]1C ZINC000114709523 374346040 /nfs/dbraw/zinc/34/60/40/374346040.db2.gz USBWSENPKPEUFP-NSHDSACASA-N 1 2 294.786 1.764 20 30 CDEDLO COCC[N@H+]1CCN(c2ncc(C#N)cc2Cl)C[C@@H]1C ZINC000114709523 374346044 /nfs/dbraw/zinc/34/60/44/374346044.db2.gz USBWSENPKPEUFP-NSHDSACASA-N 1 2 294.786 1.764 20 30 CDEDLO N#Cc1ccccc1OCC[N@@H+]1CCc2c[nH]nc2C1 ZINC000611008554 374375604 /nfs/dbraw/zinc/37/56/04/374375604.db2.gz AZLCFABQCMCIEI-UHFFFAOYSA-N 1 2 268.320 1.718 20 30 CDEDLO N#Cc1ccccc1OCC[N@H+]1CCc2c[nH]nc2C1 ZINC000611008554 374375611 /nfs/dbraw/zinc/37/56/11/374375611.db2.gz AZLCFABQCMCIEI-UHFFFAOYSA-N 1 2 268.320 1.718 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)CC[S@@]1=O ZINC000277449623 374787460 /nfs/dbraw/zinc/78/74/60/374787460.db2.gz JVFCXTRSXZDJKA-VOJFVSQTSA-N 1 2 265.382 1.240 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)CC[S@@]1=O ZINC000277449623 374787470 /nfs/dbraw/zinc/78/74/70/374787470.db2.gz JVFCXTRSXZDJKA-VOJFVSQTSA-N 1 2 265.382 1.240 20 30 CDEDLO COc1cc(C[N@@H+]2CC[S@@](=O)C[C@H](C)C2)ccc1C#N ZINC000282318305 375079101 /nfs/dbraw/zinc/07/91/01/375079101.db2.gz NLHFFHMJKAXISW-MPBGBICISA-N 1 2 292.404 1.767 20 30 CDEDLO COc1cc(C[N@H+]2CC[S@@](=O)C[C@H](C)C2)ccc1C#N ZINC000282318305 375079112 /nfs/dbraw/zinc/07/91/12/375079112.db2.gz NLHFFHMJKAXISW-MPBGBICISA-N 1 2 292.404 1.767 20 30 CDEDLO Cc1cc(N2CCC3(CNC(=O)N3C)CC2)c(C#N)c[nH+]1 ZINC000333462748 375081645 /nfs/dbraw/zinc/08/16/45/375081645.db2.gz LYFAFCOIVBRCSG-UHFFFAOYSA-N 1 2 285.351 1.256 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000047592712 375224824 /nfs/dbraw/zinc/22/48/24/375224824.db2.gz YBUSUSCOGNGHJQ-GFCCVEGCSA-N 1 2 275.352 1.248 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000047592712 375224829 /nfs/dbraw/zinc/22/48/29/375224829.db2.gz YBUSUSCOGNGHJQ-GFCCVEGCSA-N 1 2 275.352 1.248 20 30 CDEDLO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@H](C)C#N ZINC000049068169 375398257 /nfs/dbraw/zinc/39/82/57/375398257.db2.gz DXAAIXSYEDZFKS-OCCSQVGLSA-N 1 2 264.373 1.522 20 30 CDEDLO CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@H](C)C#N ZINC000049068169 375398265 /nfs/dbraw/zinc/39/82/65/375398265.db2.gz DXAAIXSYEDZFKS-OCCSQVGLSA-N 1 2 264.373 1.522 20 30 CDEDLO N#CC1(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000133694935 375582216 /nfs/dbraw/zinc/58/22/16/375582216.db2.gz NUJSZCKFENPWAJ-AWEZNQCLSA-N 1 2 285.347 1.060 20 30 CDEDLO N#CC1(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000133694935 375582223 /nfs/dbraw/zinc/58/22/23/375582223.db2.gz NUJSZCKFENPWAJ-AWEZNQCLSA-N 1 2 285.347 1.060 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000135023216 375672615 /nfs/dbraw/zinc/67/26/15/375672615.db2.gz SCLBMKAECZQPBV-UMVBOHGHSA-N 1 2 268.401 1.814 20 30 CDEDLO C[C@@H]1C[C@H](C)[C@@H](C(=O)NCC2([NH+]3CCOCC3)CC2)O1 ZINC000328682310 375926951 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/nfs/dbraw/zinc/11/11/99/140111199.db2.gz QDNLNCXFQJHDCL-JTQLQIEISA-N 1 2 261.300 1.408 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CCCC[C@@H]2C)C1=O ZINC000281518827 195273639 /nfs/dbraw/zinc/27/36/39/195273639.db2.gz ZEAFIDVBYKPAKS-KBPBESRZSA-N 1 2 293.411 1.106 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CCCC[C@@H]2C)C1=O ZINC000281518827 195273641 /nfs/dbraw/zinc/27/36/41/195273641.db2.gz ZEAFIDVBYKPAKS-KBPBESRZSA-N 1 2 293.411 1.106 20 30 CDEDLO C#CC[NH+](CC#C)[C@H]1CCc2ccccc2NC1=O ZINC000299280718 390424019 /nfs/dbraw/zinc/42/40/19/390424019.db2.gz NATIUKFHLIKNDZ-HNNXBMFYSA-N 1 2 252.317 1.508 20 30 CDEDLO Cc1ccc2[nH+]c(CSCC(=O)NCC#N)cn2c1 ZINC000114684218 390809697 /nfs/dbraw/zinc/80/96/97/390809697.db2.gz RPTBIBAAZSABMX-UHFFFAOYSA-N 1 2 274.349 1.516 20 30 CDEDLO NC(CCO)=[NH+]OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000121403305 390885019 /nfs/dbraw/zinc/88/50/19/390885019.db2.gz RVNLIGMBYQJRHA-UHFFFAOYSA-N 1 2 296.714 1.561 20 30 CDEDLO CNC(=O)CO[NH+]=C(N)c1cccc(C(F)(F)F)c1 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/nfs/dbraw/zinc/05/47/54/391054754.db2.gz HDINBQIVMAFXGX-KBPBESRZSA-N 1 2 289.379 1.995 20 30 CDEDLO CCCc1noc(CO[NH+]=C(N)Cc2csc(C)n2)n1 ZINC000174121037 391116713 /nfs/dbraw/zinc/11/67/13/391116713.db2.gz KPQGKECTFYFZRE-UHFFFAOYSA-N 1 2 295.368 1.819 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](c3ccn[nH]3)C2)C1=O ZINC000374102786 391147375 /nfs/dbraw/zinc/14/73/75/391147375.db2.gz VNAKIIHYVZCBFP-GXTWGEPZSA-N 1 2 274.368 1.376 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](c3ccn[nH]3)C2)C1=O ZINC000374102786 391147378 /nfs/dbraw/zinc/14/73/78/391147378.db2.gz VNAKIIHYVZCBFP-GXTWGEPZSA-N 1 2 274.368 1.376 20 30 CDEDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000265620655 391158941 /nfs/dbraw/zinc/15/89/41/391158941.db2.gz BBGLZMNSJVKBKY-AWEZNQCLSA-N 1 2 273.336 1.299 20 30 CDEDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000265620655 391158943 /nfs/dbraw/zinc/15/89/43/391158943.db2.gz BBGLZMNSJVKBKY-AWEZNQCLSA-N 1 2 273.336 1.299 20 30 CDEDLO N#Cc1ccc(C(=O)NCc2cn3ccccc3[nH+]2)nc1 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JGUWCDCIEWMYFV-KBPBESRZSA-N 1 2 284.400 1.195 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC(C)(C)CCC#N ZINC000352903879 391309904 /nfs/dbraw/zinc/30/99/04/391309904.db2.gz WNAWEBMKTWVQKZ-CYBMUJFWSA-N 1 2 296.415 1.336 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCC(C)(C)CCC#N ZINC000352903879 391309907 /nfs/dbraw/zinc/30/99/07/391309907.db2.gz WNAWEBMKTWVQKZ-CYBMUJFWSA-N 1 2 296.415 1.336 20 30 CDEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000345813957 391317237 /nfs/dbraw/zinc/31/72/37/391317237.db2.gz PUMBHTREHGLLRU-NWDGAFQWSA-N 1 2 265.357 1.048 20 30 CDEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000345813957 391317241 /nfs/dbraw/zinc/31/72/41/391317241.db2.gz PUMBHTREHGLLRU-NWDGAFQWSA-N 1 2 265.357 1.048 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NC(=O)Nc1ccc(C)c(C)c1 ZINC000339766905 391356075 /nfs/dbraw/zinc/35/60/75/391356075.db2.gz WEHMZANOOJZGGE-UHFFFAOYSA-N 1 2 287.363 1.907 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NC(=O)Nc1ccc(C)c(C)c1 ZINC000339766905 391356077 /nfs/dbraw/zinc/35/60/77/391356077.db2.gz WEHMZANOOJZGGE-UHFFFAOYSA-N 1 2 287.363 1.907 20 30 CDEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(F)cc1F ZINC000346834787 391374040 /nfs/dbraw/zinc/37/40/40/391374040.db2.gz XUOCVVGEEDVHOP-UHFFFAOYSA-N 1 2 293.317 1.959 20 30 CDEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(F)cc1F ZINC000346834787 391374045 /nfs/dbraw/zinc/37/40/45/391374045.db2.gz XUOCVVGEEDVHOP-UHFFFAOYSA-N 1 2 293.317 1.959 20 30 CDEDLO CC[C@H](C(=O)N(CC)CC#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000330463469 391426354 /nfs/dbraw/zinc/42/63/54/391426354.db2.gz UUYONZLDRUERLJ-CHWSQXEVSA-N 1 2 267.373 1.248 20 30 CDEDLO CC[C@H](C(=O)N(CC)CC#N)[N@H+]1CCO[C@H](CC)C1 ZINC000330463469 391426358 /nfs/dbraw/zinc/42/63/58/391426358.db2.gz UUYONZLDRUERLJ-CHWSQXEVSA-N 1 2 267.373 1.248 20 30 CDEDLO CCC[C@@H]([NH2+]C(C)C)C(=O)N=c1cc(C)n(CCC#N)[nH]1 ZINC000355725425 391467303 /nfs/dbraw/zinc/46/73/03/391467303.db2.gz GUFCBLVZJMIJDY-CYBMUJFWSA-N 1 2 291.399 1.632 20 30 CDEDLO CC(C)[NH+]1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1 ZINC000408191318 391500654 /nfs/dbraw/zinc/50/06/54/391500654.db2.gz HBPKQFJEPVXGKX-UHFFFAOYSA-N 1 2 285.413 1.036 20 30 CDEDLO C[N@H+](CCC#N)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000359609202 391604922 /nfs/dbraw/zinc/60/49/22/391604922.db2.gz GUZZAUBJJVHVHN-LBPRGKRZSA-N 1 2 251.374 1.869 20 30 CDEDLO C[N@@H+](CCC#N)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000359609202 391604925 /nfs/dbraw/zinc/60/49/25/391604925.db2.gz GUZZAUBJJVHVHN-LBPRGKRZSA-N 1 2 251.374 1.869 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000339999131 391608509 /nfs/dbraw/zinc/60/85/09/391608509.db2.gz WRECEGIYNGXKDN-UHFFFAOYSA-N 1 2 290.411 1.667 20 30 CDEDLO CC[C@@]1(C)C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CCO1 ZINC000135616825 391732063 /nfs/dbraw/zinc/73/20/63/391732063.db2.gz AHYBGMNFNSJLJD-GJZGRUSLSA-N 1 2 279.384 1.296 20 30 CDEDLO CC[C@@]1(C)C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CCO1 ZINC000135616825 391732069 /nfs/dbraw/zinc/73/20/69/391732069.db2.gz AHYBGMNFNSJLJD-GJZGRUSLSA-N 1 2 279.384 1.296 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCCN(CC)C(=O)C1 ZINC000190212862 130075461 /nfs/dbraw/zinc/07/54/61/130075461.db2.gz CYCCQNVOAGPWKX-AWEZNQCLSA-N 1 2 293.411 1.130 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCCN(CC)C(=O)C1 ZINC000190212862 130075463 /nfs/dbraw/zinc/07/54/63/130075463.db2.gz CYCCQNVOAGPWKX-AWEZNQCLSA-N 1 2 293.411 1.130 20 30 CDEDLO [O-]C(=[NH+]C[C@@H]1COc2ccccc21)N1CCn2cc[nH+]c2C1 ZINC000329738361 391766270 /nfs/dbraw/zinc/76/62/70/391766270.db2.gz MSQSHEWWDPBCKO-GFCCVEGCSA-N 1 2 298.346 1.789 20 30 CDEDLO Cc1cnn(C[C@@H]2C[N@H+](Cc3cc(C#N)n(C)c3)CCO2)c1 ZINC000191342179 130223286 /nfs/dbraw/zinc/22/32/86/130223286.db2.gz DDTUDKKQXOYUGY-INIZCTEOSA-N 1 2 299.378 1.303 20 30 CDEDLO Cc1cnn(C[C@@H]2C[N@@H+](Cc3cc(C#N)n(C)c3)CCO2)c1 ZINC000191342179 130223289 /nfs/dbraw/zinc/22/32/89/130223289.db2.gz DDTUDKKQXOYUGY-INIZCTEOSA-N 1 2 299.378 1.303 20 30 CDEDLO Cc1nnc(SCC[N@@H+]2CCO[C@@H](C)C2)c(C#N)c1C ZINC000191558094 130253650 /nfs/dbraw/zinc/25/36/50/130253650.db2.gz DYJZXPLYGRPXAZ-JTQLQIEISA-N 1 2 292.408 1.778 20 30 CDEDLO Cc1nnc(SCC[N@H+]2CCO[C@@H](C)C2)c(C#N)c1C ZINC000191558094 130253653 /nfs/dbraw/zinc/25/36/53/130253653.db2.gz DYJZXPLYGRPXAZ-JTQLQIEISA-N 1 2 292.408 1.778 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000329882716 391793630 /nfs/dbraw/zinc/79/36/30/391793630.db2.gz QGOGFNZVDIZDIV-YNEHKIRRSA-N 1 2 268.357 1.255 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000329882716 391793636 /nfs/dbraw/zinc/79/36/36/391793636.db2.gz QGOGFNZVDIZDIV-YNEHKIRRSA-N 1 2 268.357 1.255 20 30 CDEDLO Cc1nc(C)c(C(=O)NCC[N@H+]2CCOC[C@@H]2C)o1 ZINC000329899266 391795809 /nfs/dbraw/zinc/79/58/09/391795809.db2.gz MVHGVRONGZIIQH-VIFPVBQESA-N 1 2 267.329 1.317 20 30 CDEDLO Cc1nc(C)c(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)o1 ZINC000329899266 391795811 /nfs/dbraw/zinc/79/58/11/391795811.db2.gz MVHGVRONGZIIQH-VIFPVBQESA-N 1 2 267.329 1.317 20 30 CDEDLO Cc1nn(C)c(C)c1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000329908229 391797545 /nfs/dbraw/zinc/79/75/45/391797545.db2.gz LNNNDDWNPULRHR-UHFFFAOYSA-N 1 2 292.383 1.206 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2coc(C3CCCC3)n2)C1 ZINC000329953191 391805311 /nfs/dbraw/zinc/80/53/11/391805311.db2.gz NQQZFFXUXBVCJU-GFCCVEGCSA-N 1 2 293.367 1.967 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)c2coc(C3CCCC3)n2)C1 ZINC000329953191 391805313 /nfs/dbraw/zinc/80/53/13/391805313.db2.gz NQQZFFXUXBVCJU-GFCCVEGCSA-N 1 2 293.367 1.967 20 30 CDEDLO COCC1(C#N)CCN(c2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000343145687 392095131 /nfs/dbraw/zinc/09/51/31/392095131.db2.gz WTUBBEWXTOVKOR-UHFFFAOYSA-N 1 2 290.371 1.003 20 30 CDEDLO COCC1(C#N)CCN(c2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC000343145687 392095132 /nfs/dbraw/zinc/09/51/32/392095132.db2.gz WTUBBEWXTOVKOR-UHFFFAOYSA-N 1 2 290.371 1.003 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000248008545 131109612 /nfs/dbraw/zinc/10/96/12/131109612.db2.gz QLBQZVOHATVUFB-UHFFFAOYSA-N 1 2 262.740 1.731 20 30 CDEDLO Cc1nc(NCc2ccn3cc[nH+]c3c2)ccc1C#N ZINC000488110913 392513325 /nfs/dbraw/zinc/51/33/25/392513325.db2.gz FIUIYQKHOCIQFL-UHFFFAOYSA-N 1 2 263.304 1.943 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000127510317 392619248 /nfs/dbraw/zinc/61/92/48/392619248.db2.gz WCDPYNBZBIZEFD-ZDUSSCGKSA-N 1 2 282.303 1.575 20 30 CDEDLO Cc1cc(C[N@H+]2C[C@H](CO)OC[C@H]2C)ccc1C#N ZINC000488231721 392895590 /nfs/dbraw/zinc/89/55/90/392895590.db2.gz NXZYWXAPHMECMA-IUODEOHRSA-N 1 2 260.337 1.448 20 30 CDEDLO Cc1cc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)ccc1C#N ZINC000488231721 392895600 /nfs/dbraw/zinc/89/56/00/392895600.db2.gz NXZYWXAPHMECMA-IUODEOHRSA-N 1 2 260.337 1.448 20 30 CDEDLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)ccc1C#N ZINC000489009741 392864908 /nfs/dbraw/zinc/86/49/08/392864908.db2.gz KOJBRUYTDNJKSO-DOMZBBRYSA-N 1 2 260.337 1.448 20 30 CDEDLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)ccc1C#N ZINC000489009741 392864915 /nfs/dbraw/zinc/86/49/15/392864915.db2.gz KOJBRUYTDNJKSO-DOMZBBRYSA-N 1 2 260.337 1.448 20 30 CDEDLO N#Cc1ccnc(N2CCC(n3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000268500127 132018740 /nfs/dbraw/zinc/01/87/40/132018740.db2.gz PVMCLHWXQVOMFW-UHFFFAOYSA-N 1 2 298.306 1.899 20 30 CDEDLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000269064921 132106869 /nfs/dbraw/zinc/10/68/69/132106869.db2.gz VKCKDWLTGWUXGS-OLZOCXBDSA-N 1 2 287.363 1.284 20 30 CDEDLO C[C@@H]1[C@H](C)OCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000269064921 132106870 /nfs/dbraw/zinc/10/68/70/132106870.db2.gz VKCKDWLTGWUXGS-OLZOCXBDSA-N 1 2 287.363 1.284 20 30 CDEDLO Cc1cc(N2CCC[C@]3(CNC(=O)C3)C2)c(C#N)c[nH+]1 ZINC000425239109 393000337 /nfs/dbraw/zinc/00/03/37/393000337.db2.gz VWDQBFQRRWDHNF-HNNXBMFYSA-N 1 2 270.336 1.368 20 30 CDEDLO CN=c1[nH]c(CNc2cc(C)[nH+]cc2C#N)cs1 ZINC000425237655 393000693 /nfs/dbraw/zinc/00/06/93/393000693.db2.gz SHHDLRYUGJPCDI-UHFFFAOYSA-N 1 2 259.338 1.216 20 30 CDEDLO Cc1cc(NC[C@@](C)(O)C(=O)OC(C)(C)C)c(C#N)c[nH+]1 ZINC000425247048 393003420 /nfs/dbraw/zinc/00/34/20/393003420.db2.gz XJYQNUIVHCVYKI-OAHLLOKOSA-N 1 2 291.351 1.188 20 30 CDEDLO Cc1ccc(C#N)c(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)n1 ZINC000286358016 292044930 /nfs/dbraw/zinc/04/49/30/292044930.db2.gz MZTXSMKFUZXDRM-HIFRSBDPSA-N 1 2 286.379 1.561 20 30 CDEDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000336221805 151371197 /nfs/dbraw/zinc/37/11/97/151371197.db2.gz QDEXXMKJLPZAEE-CYBMUJFWSA-N 1 2 258.325 1.062 20 30 CDEDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000336221805 151371198 /nfs/dbraw/zinc/37/11/98/151371198.db2.gz QDEXXMKJLPZAEE-CYBMUJFWSA-N 1 2 258.325 1.062 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000429574376 286270722 /nfs/dbraw/zinc/27/07/22/286270722.db2.gz GOPQRYOSXIHETR-MPBGBICISA-N 1 2 292.404 1.910 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000429574376 286270724 /nfs/dbraw/zinc/27/07/24/286270724.db2.gz GOPQRYOSXIHETR-MPBGBICISA-N 1 2 292.404 1.910 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNc1c(C#N)nnc2ccccc21 ZINC000354339622 156398859 /nfs/dbraw/zinc/39/88/59/156398859.db2.gz MSBZKFTXKPKKMF-LBPRGKRZSA-N 1 2 297.362 1.634 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNc1c(C#N)nnc2ccccc21 ZINC000354339622 156398863 /nfs/dbraw/zinc/39/88/63/156398863.db2.gz MSBZKFTXKPKKMF-LBPRGKRZSA-N 1 2 297.362 1.634 20 30 CDEDLO C[C@@H]1CCN(C(=O)c2cnccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000358851210 158051802 /nfs/dbraw/zinc/05/18/02/158051802.db2.gz KDQLDXDPQYIJIJ-IUODEOHRSA-N 1 2 295.346 1.873 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@H](CO)[C@H](C)C2)c(C#N)c1C ZINC000362069714 159057542 /nfs/dbraw/zinc/05/75/42/159057542.db2.gz VIAJRWBNHKOMTB-BXKDBHETSA-N 1 2 291.351 1.267 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2C[C@H](CO)[C@H](C)C2)c(C#N)c1C ZINC000362069714 159057543 /nfs/dbraw/zinc/05/75/43/159057543.db2.gz VIAJRWBNHKOMTB-BXKDBHETSA-N 1 2 291.351 1.267 20 30 CDEDLO N#Cc1cccc(CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000374099008 160254120 /nfs/dbraw/zinc/25/41/20/160254120.db2.gz JFXMXIOWYGCODM-HNNXBMFYSA-N 1 2 294.358 1.676 20 30 CDEDLO COc1cc(C[NH2+]CCC#N)cc(OC)c1OC ZINC000020199334 171063110 /nfs/dbraw/zinc/06/31/10/171063110.db2.gz CHKHDFATBVMMPV-UHFFFAOYSA-N 1 2 250.298 1.716 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)s1 ZINC000284755476 196125043 /nfs/dbraw/zinc/12/50/43/196125043.db2.gz VZMJRVNMGXUMLZ-RBSFLKMASA-N 1 2 292.404 1.982 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)s1 ZINC000284755476 196125045 /nfs/dbraw/zinc/12/50/45/196125045.db2.gz VZMJRVNMGXUMLZ-RBSFLKMASA-N 1 2 292.404 1.982 20 30 CDEDLO C=C[C@H](CO)Nc1nc2c(cnn2C(C)(C)C)c(N)[nH+]1 ZINC000664605953 413536332 /nfs/dbraw/zinc/53/63/32/413536332.db2.gz RGHCGOWBUKUULH-MRVPVSSYSA-N 1 2 276.344 1.122 20 30 CDEDLO CC(C)[C@@H](CNc1ccc(C#N)cn1)N1CC[NH+](C)CC1 ZINC000040432233 174260407 /nfs/dbraw/zinc/26/04/07/174260407.db2.gz CSQROUOAAXTPET-OAHLLOKOSA-N 1 2 287.411 1.637 20 30 CDEDLO COCCN(CCC#N)Cc1cn2ccccc2[nH+]1 ZINC000071230669 176092064 /nfs/dbraw/zinc/09/20/64/176092064.db2.gz LEMNXGHDUHFSGJ-UHFFFAOYSA-N 1 2 258.325 1.696 20 30 CDEDLO Cc1cc(-n2cc[nH+]c2)ccc1Cn1cnc(C#N)n1 ZINC000191554054 227033737 /nfs/dbraw/zinc/03/37/37/227033737.db2.gz YSCOCVUEIWDNJV-UHFFFAOYSA-N 1 2 264.292 1.692 20 30 CDEDLO C=CC1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000171906259 335084331 /nfs/dbraw/zinc/08/43/31/335084331.db2.gz CUFSTVWEOJBFQZ-UHFFFAOYSA-N 1 2 295.427 1.705 20 30 CDEDLO C=CC1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000171906259 335084332 /nfs/dbraw/zinc/08/43/32/335084332.db2.gz CUFSTVWEOJBFQZ-UHFFFAOYSA-N 1 2 295.427 1.705 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N[C@]1(C)CCCOC1 ZINC000330018923 228018099 /nfs/dbraw/zinc/01/80/99/228018099.db2.gz UHICCWFYVBIFAY-CYBMUJFWSA-N 1 2 251.330 1.878 20 30 CDEDLO O=C(Cc1csc2nccn12)NCC[NH+]1CCOCC1 ZINC000330050286 228027535 /nfs/dbraw/zinc/02/75/35/228027535.db2.gz LNROZDNBZFFLTB-UHFFFAOYSA-N 1 2 294.380 1.227 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]CC1(O)CCCCC1 ZINC000330277044 228089816 /nfs/dbraw/zinc/08/98/16/228089816.db2.gz NSOYDLASHTYCQY-GFCCVEGCSA-N 1 2 292.383 1.397 20 30 CDEDLO [O-]C(NCC1(O)CCCCC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330277044 228089817 /nfs/dbraw/zinc/08/98/17/228089817.db2.gz NSOYDLASHTYCQY-GFCCVEGCSA-N 1 2 292.383 1.397 20 30 CDEDLO CCCCCNC(=O)CO[NH+]=C(N)Cc1csc(C)n1 ZINC000063456761 260239919 /nfs/dbraw/zinc/23/99/19/260239919.db2.gz WSTKMGCMAOABLH-UHFFFAOYSA-N 1 2 298.412 1.589 20 30 CDEDLO CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1(C#N)CCC1 ZINC000408134328 260277289 /nfs/dbraw/zinc/27/72/89/260277289.db2.gz SYDWGRNXAXDUCN-NSHDSACASA-N 1 2 258.325 1.350 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCCO[C@@H]2CCCCO2)cc1 ZINC000192837471 262211492 /nfs/dbraw/zinc/21/14/92/262211492.db2.gz NGBHCENOTKTLEI-CQSZACIVSA-N 1 2 294.351 1.875 20 30 CDEDLO C=CCOc1ccccc1C[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000337417636 262450212 /nfs/dbraw/zinc/45/02/12/262450212.db2.gz UTUAIBJBNUIRSX-CQSZACIVSA-N 1 2 295.404 1.870 20 30 CDEDLO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000337417636 262450213 /nfs/dbraw/zinc/45/02/13/262450213.db2.gz UTUAIBJBNUIRSX-CQSZACIVSA-N 1 2 295.404 1.870 20 30 CDEDLO CC1(C#N)CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000272504023 263005505 /nfs/dbraw/zinc/00/55/05/263005505.db2.gz DYCRKIVPERVMOH-UHFFFAOYSA-N 1 2 287.367 1.268 20 30 CDEDLO CCN(C)C(=O)CO[NH+]=C(N)c1cccc(Cl)c1 ZINC000273593499 263018250 /nfs/dbraw/zinc/01/82/50/263018250.db2.gz UQICTBUGRLJBTC-UHFFFAOYSA-N 1 2 269.732 1.455 20 30 CDEDLO C[C@H](O/[NH+]=C(\N)[C@H]1CCCO1)C(=O)Nc1cccc(F)c1 ZINC000283961605 263085085 /nfs/dbraw/zinc/08/50/85/263085085.db2.gz GCBGWKORIZJVNA-JOYOIKCWSA-N 1 2 295.314 1.621 20 30 CDEDLO N#Cc1cccc(OCCO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000284387739 263086698 /nfs/dbraw/zinc/08/66/98/263086698.db2.gz MICWWOCRXJIYIO-ZDUSSCGKSA-N 1 2 275.308 1.405 20 30 CDEDLO NC(=[NH+]OCc1nccn1C(F)F)[C@H]1CCCO1 ZINC000284412261 263086898 /nfs/dbraw/zinc/08/68/98/263086898.db2.gz NSDFJIWBFMUSKF-SSDOTTSWSA-N 1 2 260.244 1.246 20 30 CDEDLO C[C@H](NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1)c1ccccc1 ZINC000284619348 263087663 /nfs/dbraw/zinc/08/76/63/263087663.db2.gz ZNUJVDDDLAJPPH-AAEUAGOBSA-N 1 2 291.351 1.332 20 30 CDEDLO CC1(C)CCCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C#N ZINC000288598608 263104976 /nfs/dbraw/zinc/10/49/76/263104976.db2.gz YJMRSFPHKWZTQI-NSHDSACASA-N 1 2 260.341 1.883 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000121312767 263291677 /nfs/dbraw/zinc/29/16/77/263291677.db2.gz CODRCOOPAZXIPZ-UHFFFAOYSA-N 1 2 262.309 1.530 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000121312767 263291678 /nfs/dbraw/zinc/29/16/78/263291678.db2.gz CODRCOOPAZXIPZ-UHFFFAOYSA-N 1 2 262.309 1.530 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000341703588 263346770 /nfs/dbraw/zinc/34/67/70/263346770.db2.gz MMISCNXRQFYMPQ-JSGCOSHPSA-N 1 2 263.341 1.315 20 30 CDEDLO CCCCCNC(=O)C[NH+]1CCC(C#N)(COC)CC1 ZINC000341988556 263381027 /nfs/dbraw/zinc/38/10/27/263381027.db2.gz IWEAJNZEVUPGBW-UHFFFAOYSA-N 1 2 281.400 1.545 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000330867610 264058043 /nfs/dbraw/zinc/05/80/43/264058043.db2.gz PACZUVIOVPNBAP-CZUORRHYSA-N 1 2 291.395 1.528 20 30 CDEDLO Cc1cc[nH]c1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000331243817 264178065 /nfs/dbraw/zinc/17/80/65/264178065.db2.gz ZGQYWGGQVJGNHZ-LLVKDONJSA-N 1 2 251.330 1.348 20 30 CDEDLO Cc1cc[nH]c1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000331243817 264178067 /nfs/dbraw/zinc/17/80/67/264178067.db2.gz ZGQYWGGQVJGNHZ-LLVKDONJSA-N 1 2 251.330 1.348 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C1CCCC1 ZINC000060855748 264519833 /nfs/dbraw/zinc/51/98/33/264519833.db2.gz BQXCQZATJDKCEU-UHFFFAOYSA-N 1 2 279.384 1.251 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCc3c[nH]nc3C2)nn1 ZINC000653588441 424312726 /nfs/dbraw/zinc/31/27/26/424312726.db2.gz WJVFIMGLKWPDEW-UHFFFAOYSA-N 1 2 258.329 1.136 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCc3c[nH]nc3C2)nn1 ZINC000653588441 424312733 /nfs/dbraw/zinc/31/27/33/424312733.db2.gz WJVFIMGLKWPDEW-UHFFFAOYSA-N 1 2 258.329 1.136 20 30 CDEDLO C=C[C@H](CO)NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000661551327 424488666 /nfs/dbraw/zinc/48/86/66/424488666.db2.gz QRFJZDJUPJYAAY-CYBMUJFWSA-N 1 2 290.367 1.028 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)NCCCC#N)cc2n1C ZINC000356716169 266163658 /nfs/dbraw/zinc/16/36/58/266163658.db2.gz SZHPBIWKNKOEPJ-UHFFFAOYSA-N 1 2 256.309 1.915 20 30 CDEDLO C=C[C@@H](C)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000362613967 267022626 /nfs/dbraw/zinc/02/26/26/267022626.db2.gz MJCNIQSUTXYBLM-CYBMUJFWSA-N 1 2 274.364 1.823 20 30 CDEDLO Cc1cc(N2CCC[C@@H](CS(C)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000399422374 267335871 /nfs/dbraw/zinc/33/58/71/267335871.db2.gz ZVZYFPCVNBFLOL-GFCCVEGCSA-N 1 2 293.392 1.523 20 30 CDEDLO CS[C@@H](CO)[C@@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000398983232 270367021 /nfs/dbraw/zinc/36/70/21/270367021.db2.gz GCJHANWGMNPMLJ-SKDRFNHKSA-N 1 2 251.355 1.208 20 30 CDEDLO C#CCC[NH+]1CCN(c2c(F)c(F)nc(F)c2F)CC1 ZINC000268124989 276776664 /nfs/dbraw/zinc/77/66/64/276776664.db2.gz RRVMPQIEHLKTOF-UHFFFAOYSA-N 1 2 287.260 1.783 20 30 CDEDLO CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352480509 277536914 /nfs/dbraw/zinc/53/69/14/277536914.db2.gz CTKCCNDUVTVCCR-LLVKDONJSA-N 1 2 255.337 1.569 20 30 CDEDLO C=C1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000336120403 277812988 /nfs/dbraw/zinc/81/29/88/277812988.db2.gz YFCGFCHCJKDQGC-UHFFFAOYSA-N 1 2 252.358 1.276 20 30 CDEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1ccc(C#N)cc1F ZINC000290738809 278101144 /nfs/dbraw/zinc/10/11/44/278101144.db2.gz BPWVDUCKNLYDHF-IUODEOHRSA-N 1 2 289.354 1.997 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001590419943 1173402015 /nfs/dbraw/zinc/40/20/15/1173402015.db2.gz RDFPEDYDZOWQOZ-SNVBAGLBSA-N 1 2 274.303 1.788 20 30 CDEDLO CC1(C)CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1C#N ZINC000333092152 280973592 /nfs/dbraw/zinc/97/35/92/280973592.db2.gz ZSRZDKISWUVIIZ-JSGCOSHPSA-N 1 2 286.379 1.986 20 30 CDEDLO CC[C@@H](CC#N)[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000575932590 328020296 /nfs/dbraw/zinc/02/02/96/328020296.db2.gz OLXYDBNGABLTHD-NWDGAFQWSA-N 1 2 275.356 1.197 20 30 CDEDLO Oc1cccc(/C=[NH+]/CCCO[C@H]2CCOC2)c1O ZINC000268124540 328183066 /nfs/dbraw/zinc/18/30/66/328183066.db2.gz VMNSCMFLJUVDOL-DGGAMASNSA-N 1 2 265.309 1.712 20 30 CDEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)NC1CCOCC1 ZINC000173552834 329149099 /nfs/dbraw/zinc/14/90/99/329149099.db2.gz JZQQGZISKLCSGU-UHFFFAOYSA-N 1 2 295.427 1.933 20 30 CDEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)NC1CCOCC1 ZINC000173552834 329149101 /nfs/dbraw/zinc/14/91/01/329149101.db2.gz JZQQGZISKLCSGU-UHFFFAOYSA-N 1 2 295.427 1.933 20 30 CDEDLO CCn1cc[nH+]c1CNC(=O)c1ccc(CC#N)cc1 ZINC000295897083 328287758 /nfs/dbraw/zinc/28/77/58/328287758.db2.gz ZNMMYCCSJDMNRB-UHFFFAOYSA-N 1 2 268.320 1.899 20 30 CDEDLO CC[C@@H]1CCC[C@@H]1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000584116899 327042379 /nfs/dbraw/zinc/04/23/79/327042379.db2.gz OGUOBFYUOAKAEJ-MBNYWOFBSA-N 1 2 251.374 1.773 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc2c(c1)CCC2 ZINC000574566871 327349685 /nfs/dbraw/zinc/34/96/85/327349685.db2.gz VXVUOIIFXPSXOY-MRXNPFEDSA-N 1 2 273.380 1.794 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc2c(c1)CCC2 ZINC000574566871 327349687 /nfs/dbraw/zinc/34/96/87/327349687.db2.gz VXVUOIIFXPSXOY-MRXNPFEDSA-N 1 2 273.380 1.794 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3CCOC[C@H]3C#N)ccn12 ZINC000583449423 327372704 /nfs/dbraw/zinc/37/27/04/327372704.db2.gz KPPVBWRSMHDGJL-GFCCVEGCSA-N 1 2 270.292 1.007 20 30 CDEDLO CS(=O)(=O)c1ccccc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000582296555 328952437 /nfs/dbraw/zinc/95/24/37/328952437.db2.gz MUUFWCSVTIGLRF-GFCCVEGCSA-N 1 2 291.376 1.623 20 30 CDEDLO C=CCN(CC(=O)OCC)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000127143399 329597372 /nfs/dbraw/zinc/59/73/72/329597372.db2.gz NKAFIELGYMNGHU-GFCCVEGCSA-N 1 2 291.351 1.023 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000458292066 331247456 /nfs/dbraw/zinc/24/74/56/331247456.db2.gz YTJTUZDLDNVTFP-UHFFFAOYSA-N 1 2 296.415 1.288 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000458292066 331247457 /nfs/dbraw/zinc/24/74/57/331247457.db2.gz YTJTUZDLDNVTFP-UHFFFAOYSA-N 1 2 296.415 1.288 20 30 CDEDLO C#C[C@@H](NC(=O)NCc1ccc[nH+]c1N(C)C)C(C)C ZINC000490975542 332135240 /nfs/dbraw/zinc/13/52/40/332135240.db2.gz UVDGEXAEIWOGPH-CYBMUJFWSA-N 1 2 274.368 1.605 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H]2CCCO2)n1 ZINC000491067452 332144845 /nfs/dbraw/zinc/14/48/45/332144845.db2.gz IBZUCEHVUJYIHQ-OAHLLOKOSA-N 1 2 277.368 1.144 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H]2CCCO2)n1 ZINC000491067452 332144846 /nfs/dbraw/zinc/14/48/46/332144846.db2.gz IBZUCEHVUJYIHQ-OAHLLOKOSA-N 1 2 277.368 1.144 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)CC2(CCCCC2)C1=O ZINC000491254076 332175023 /nfs/dbraw/zinc/17/50/23/332175023.db2.gz QRSOXCDZCKUEJX-LBPRGKRZSA-N 1 2 262.353 1.607 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)CC2(CCCCC2)C1=O ZINC000491254076 332175024 /nfs/dbraw/zinc/17/50/24/332175024.db2.gz QRSOXCDZCKUEJX-LBPRGKRZSA-N 1 2 262.353 1.607 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CSC/C(C)=C/Cl)CC1 ZINC000491286941 332181595 /nfs/dbraw/zinc/18/15/95/332181595.db2.gz KAGLSMYSTOXOIU-FMIVXFBMSA-N 1 2 286.828 1.640 20 30 CDEDLO C#CCn1ccc(CN(CC)Cc2[nH+]ccn2CC)n1 ZINC000491327603 332191438 /nfs/dbraw/zinc/19/14/38/332191438.db2.gz WWABNICNJRJYBA-UHFFFAOYSA-N 1 2 271.368 1.755 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)Nc1cccc(F)c1 ZINC000491370933 332198625 /nfs/dbraw/zinc/19/86/25/332198625.db2.gz BUEGRFVYHFIUJB-AWEZNQCLSA-N 1 2 276.311 1.488 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)Nc1cccc(F)c1 ZINC000491370933 332198627 /nfs/dbraw/zinc/19/86/27/332198627.db2.gz BUEGRFVYHFIUJB-AWEZNQCLSA-N 1 2 276.311 1.488 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)N1CCc2ccccc2C1 ZINC000491461428 332215723 /nfs/dbraw/zinc/21/57/23/332215723.db2.gz DVSYDHFTGIUCOE-KRWDZBQOSA-N 1 2 298.386 1.295 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)N1CCc2ccccc2C1 ZINC000491461428 332215724 /nfs/dbraw/zinc/21/57/24/332215724.db2.gz DVSYDHFTGIUCOE-KRWDZBQOSA-N 1 2 298.386 1.295 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](O)c1ccc(F)cc1C ZINC000491516144 332227648 /nfs/dbraw/zinc/22/76/48/332227648.db2.gz RETRFWKDHSDAGD-HIFRSBDPSA-N 1 2 263.312 1.502 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](O)c1ccc(F)cc1C ZINC000491516144 332227650 /nfs/dbraw/zinc/22/76/50/332227650.db2.gz RETRFWKDHSDAGD-HIFRSBDPSA-N 1 2 263.312 1.502 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)N1CCCc2ccccc21 ZINC000491556531 332238101 /nfs/dbraw/zinc/23/81/01/332238101.db2.gz YEIIQPPRDANFEX-ZDUSSCGKSA-N 1 2 256.349 1.919 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N1CCCc2ccccc21 ZINC000491556531 332238102 /nfs/dbraw/zinc/23/81/02/332238102.db2.gz YEIIQPPRDANFEX-ZDUSSCGKSA-N 1 2 256.349 1.919 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(COCCOC)cc1 ZINC000491623050 332247794 /nfs/dbraw/zinc/24/77/94/332247794.db2.gz HUTVZXPKXVGADF-KRWDZBQOSA-N 1 2 289.375 1.684 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(COCCOC)cc1 ZINC000491623050 332247796 /nfs/dbraw/zinc/24/77/96/332247796.db2.gz HUTVZXPKXVGADF-KRWDZBQOSA-N 1 2 289.375 1.684 20 30 CDEDLO C#CCN(C(=O)NC[C@H]1CC[NH2+]CC1(F)F)C1CCCC1 ZINC000491674613 332280678 /nfs/dbraw/zinc/28/06/78/332280678.db2.gz SLXJSBJQRMROGZ-GFCCVEGCSA-N 1 2 299.365 1.819 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1CCN(c2ccccc2)C1=O ZINC000491696115 332291568 /nfs/dbraw/zinc/29/15/68/332291568.db2.gz ITRNKWNSTKXFDP-CYBMUJFWSA-N 1 2 257.337 1.840 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1CCN(c2ccccc2)C1=O ZINC000491696115 332291570 /nfs/dbraw/zinc/29/15/70/332291570.db2.gz ITRNKWNSTKXFDP-CYBMUJFWSA-N 1 2 257.337 1.840 20 30 CDEDLO C#C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000491711441 332302917 /nfs/dbraw/zinc/30/29/17/332302917.db2.gz WQPSDNCORXXYBT-NWDGAFQWSA-N 1 2 259.353 1.610 20 30 CDEDLO C#CC[N@@H+](C[C@@H](CC(C)C)OC)[C@H]1CCS(=O)(=O)C1 ZINC000491735556 332316118 /nfs/dbraw/zinc/31/61/18/332316118.db2.gz UHMIQPVKHYFJRG-UONOGXRCSA-N 1 2 287.425 1.170 20 30 CDEDLO C#CC[N@H+](C[C@@H](CC(C)C)OC)[C@H]1CCS(=O)(=O)C1 ZINC000491735556 332316119 /nfs/dbraw/zinc/31/61/19/332316119.db2.gz UHMIQPVKHYFJRG-UONOGXRCSA-N 1 2 287.425 1.170 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000491750073 332326819 /nfs/dbraw/zinc/32/68/19/332326819.db2.gz UKZAPSHMNGEEAO-UHFFFAOYSA-N 1 2 278.327 1.358 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000491750073 332326821 /nfs/dbraw/zinc/32/68/21/332326821.db2.gz UKZAPSHMNGEEAO-UHFFFAOYSA-N 1 2 278.327 1.358 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C[C@@](C)(c2ccc(C)cc2)C1=O ZINC000491786476 332349055 /nfs/dbraw/zinc/34/90/55/332349055.db2.gz OWRRBUPJEXEZJA-KDOFPFPSSA-N 1 2 298.386 1.923 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C[C@@](C)(c2ccc(C)cc2)C1=O ZINC000491786476 332349056 /nfs/dbraw/zinc/34/90/56/332349056.db2.gz OWRRBUPJEXEZJA-KDOFPFPSSA-N 1 2 298.386 1.923 20 30 CDEDLO Cc1ccc(/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C)o1 ZINC000492944794 332419479 /nfs/dbraw/zinc/41/94/79/332419479.db2.gz DJUYOLFNPPAIDR-DANTVBBOSA-N 1 2 261.325 1.561 20 30 CDEDLO C=CCC[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(=O)OCC ZINC000492948217 332419727 /nfs/dbraw/zinc/41/97/27/332419727.db2.gz BJOCLKPJZDKRMP-ABZNLYFFSA-N 1 2 277.324 1.437 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(OC(F)F)cn1 ZINC000517376540 333098362 /nfs/dbraw/zinc/09/83/62/333098362.db2.gz MEJTZQYKBMYJII-CYBMUJFWSA-N 1 2 298.293 1.257 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)c1 ZINC000191536856 333221046 /nfs/dbraw/zinc/22/10/46/333221046.db2.gz PVKVYBVHXYEYFV-CZUORRHYSA-N 1 2 277.364 1.833 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)c1 ZINC000191536856 333221048 /nfs/dbraw/zinc/22/10/48/333221048.db2.gz PVKVYBVHXYEYFV-CZUORRHYSA-N 1 2 277.364 1.833 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000192238201 333233537 /nfs/dbraw/zinc/23/35/37/333233537.db2.gz GGOXHQZYQKYAQX-UHFFFAOYSA-N 1 2 262.309 1.207 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000192238201 333233538 /nfs/dbraw/zinc/23/35/38/333233538.db2.gz GGOXHQZYQKYAQX-UHFFFAOYSA-N 1 2 262.309 1.207 20 30 CDEDLO C=CC[N@H+](Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000194704399 333275858 /nfs/dbraw/zinc/27/58/58/333275858.db2.gz XKAWHQZZZVOJDI-NSHDSACASA-N 1 2 271.407 1.923 20 30 CDEDLO C=CC[N@@H+](Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000194704399 333275859 /nfs/dbraw/zinc/27/58/59/333275859.db2.gz XKAWHQZZZVOJDI-NSHDSACASA-N 1 2 271.407 1.923 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCc2ccc(F)cc2C1 ZINC000134033162 334078146 /nfs/dbraw/zinc/07/81/46/334078146.db2.gz LNQBUNKPQJIZRN-UHFFFAOYSA-N 1 2 291.326 1.196 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000134033162 334078148 /nfs/dbraw/zinc/07/81/48/334078148.db2.gz LNQBUNKPQJIZRN-UHFFFAOYSA-N 1 2 291.326 1.196 20 30 CDEDLO Cc1noc([C@@H](C)[N@H+](C)CCC(=O)N(C)CCC#N)n1 ZINC000576237953 335176005 /nfs/dbraw/zinc/17/60/05/335176005.db2.gz OHVRZHPOTPHXSG-SNVBAGLBSA-N 1 2 279.344 1.133 20 30 CDEDLO Cc1noc([C@@H](C)[N@@H+](C)CCC(=O)N(C)CCC#N)n1 ZINC000576237953 335176006 /nfs/dbraw/zinc/17/60/06/335176006.db2.gz OHVRZHPOTPHXSG-SNVBAGLBSA-N 1 2 279.344 1.133 20 30 CDEDLO CCn1cc[nH+]c1/C=C/C(=O)NC1(C#N)CCCC1 ZINC000136939909 334165840 /nfs/dbraw/zinc/16/58/40/334165840.db2.gz UGQBGKFMTUPDIF-AATRIKPKSA-N 1 2 258.325 1.869 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1cccs1 ZINC000555482825 334479726 /nfs/dbraw/zinc/47/97/26/334479726.db2.gz MVOAWDRBLFSMFC-ZDUSSCGKSA-N 1 2 265.382 1.641 20 30 CDEDLO Cc1cccn2cc(CC(=O)NCC3(CC#N)CC3)[nH+]c12 ZINC000555711628 334487867 /nfs/dbraw/zinc/48/78/67/334487867.db2.gz JTPWYKPLYJUXGO-UHFFFAOYSA-N 1 2 282.347 1.995 20 30 CDEDLO C[C@@H](Oc1ccccc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000564872057 334525346 /nfs/dbraw/zinc/52/53/46/334525346.db2.gz KXLXMSBENNGNJA-IUODEOHRSA-N 1 2 275.352 1.414 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)OCC ZINC000565429413 334562772 /nfs/dbraw/zinc/56/27/72/334562772.db2.gz YRDQPQRWALTITC-TZMCWYRMSA-N 1 2 267.373 1.318 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(OC(F)F)cc1 ZINC000565927552 334608809 /nfs/dbraw/zinc/60/88/09/334608809.db2.gz WUYOBNLOLPHADA-AWEZNQCLSA-N 1 2 297.305 1.862 20 30 CDEDLO C[C@H]1C[C@@]1(C#N)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000566660047 334659213 /nfs/dbraw/zinc/65/92/13/334659213.db2.gz DAZLBSKCKWSDIS-LNSITVRQSA-N 1 2 271.320 1.611 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000343549654 335209257 /nfs/dbraw/zinc/20/92/57/335209257.db2.gz KETFXBPRZGWLAA-AWEZNQCLSA-N 1 2 274.320 1.126 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000343549654 335209259 /nfs/dbraw/zinc/20/92/59/335209259.db2.gz KETFXBPRZGWLAA-AWEZNQCLSA-N 1 2 274.320 1.126 20 30 CDEDLO N#CCC1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000581586187 336107142 /nfs/dbraw/zinc/10/71/42/336107142.db2.gz TZNGZGSNKZTZHZ-LLVKDONJSA-N 1 2 258.325 1.256 20 30 CDEDLO C[C@@H](NCC#N)[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001752146148 1159450318 /nfs/dbraw/zinc/45/03/18/1159450318.db2.gz JGOHXECSMZHOTP-TZMCWYRMSA-N 1 2 289.383 1.225 20 30 CDEDLO C[C@@H](NCC#N)[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001752146148 1159450322 /nfs/dbraw/zinc/45/03/22/1159450322.db2.gz JGOHXECSMZHOTP-TZMCWYRMSA-N 1 2 289.383 1.225 20 30 CDEDLO C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)CC(C)(C)C)C1 ZINC001753646871 1159868344 /nfs/dbraw/zinc/86/83/44/1159868344.db2.gz ZRJWLDDWQFNLID-CQSZACIVSA-N 1 2 298.427 1.442 20 30 CDEDLO C=CCOCC[N@H+]1CCO[C@H](CNC(=O)CC(C)(C)C)C1 ZINC001753646871 1159868358 /nfs/dbraw/zinc/86/83/58/1159868358.db2.gz ZRJWLDDWQFNLID-CQSZACIVSA-N 1 2 298.427 1.442 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cc(C)on2)[C@H]1C ZINC001088494749 1160459625 /nfs/dbraw/zinc/45/96/25/1160459625.db2.gz MXKSMRJFFQAUTH-YPMHNXCESA-N 1 2 297.786 1.857 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cc(C)on2)[C@H]1C ZINC001088494749 1160459628 /nfs/dbraw/zinc/45/96/28/1160459628.db2.gz MXKSMRJFFQAUTH-YPMHNXCESA-N 1 2 297.786 1.857 20 30 CDEDLO C=C[C@@H](O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000668270170 482305582 /nfs/dbraw/zinc/30/55/82/482305582.db2.gz CEFMMSXBABOCFP-SWLSCSKDSA-N 1 2 290.363 1.565 20 30 CDEDLO COCC#CC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000677133125 482469361 /nfs/dbraw/zinc/46/93/61/482469361.db2.gz ITHGCUGJUXHCJX-UHFFFAOYSA-N 1 2 278.396 1.361 20 30 CDEDLO C=C[C@H](C)Nc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000665706104 482557044 /nfs/dbraw/zinc/55/70/44/482557044.db2.gz RPQVHJRCCQHTGO-SDDRHHMPSA-N 1 2 262.357 1.670 20 30 CDEDLO C=C[C@H](C)Nc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000665706104 482557048 /nfs/dbraw/zinc/55/70/48/482557048.db2.gz RPQVHJRCCQHTGO-SDDRHHMPSA-N 1 2 262.357 1.670 20 30 CDEDLO C=CCN(CCOC)C(=O)CCCn1cc[nH+]c1 ZINC000682970189 483392333 /nfs/dbraw/zinc/39/23/33/483392333.db2.gz DJXFVTUOBKGNKE-UHFFFAOYSA-N 1 2 251.330 1.324 20 30 CDEDLO COc1ccccc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329970040 534163168 /nfs/dbraw/zinc/16/31/68/534163168.db2.gz XSSPUHGNLNHVPA-TZMCWYRMSA-N 1 2 291.351 1.256 20 30 CDEDLO COc1ccccc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329970040 534163177 /nfs/dbraw/zinc/16/31/77/534163177.db2.gz XSSPUHGNLNHVPA-TZMCWYRMSA-N 1 2 291.351 1.256 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC2(C)C)C1 ZINC001754582435 1185675053 /nfs/dbraw/zinc/67/50/53/1185675053.db2.gz RVBHVGWXOPKPPY-AWEZNQCLSA-N 1 2 280.412 1.768 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccoc1C ZINC000055052960 518904305 /nfs/dbraw/zinc/90/43/05/518904305.db2.gz DGUXAIDQKAKXFM-UHFFFAOYSA-N 1 2 265.313 1.032 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1ccoc1C ZINC000055052960 518904312 /nfs/dbraw/zinc/90/43/12/518904312.db2.gz DGUXAIDQKAKXFM-UHFFFAOYSA-N 1 2 265.313 1.032 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH2+][C@H](COC)c1ccc(C)o1 ZINC000184635726 518923484 /nfs/dbraw/zinc/92/34/84/518923484.db2.gz RBTKVJFASCXRDQ-NWDGAFQWSA-N 1 2 266.341 1.556 20 30 CDEDLO COCC[C@@H]1COCC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC000365834441 521890803 /nfs/dbraw/zinc/89/08/03/521890803.db2.gz ANKHLWVASASCEU-OAHLLOKOSA-N 1 2 290.363 1.804 20 30 CDEDLO COCC[C@@H]1COCC[N@H+]1Cc1cc(C#N)ccc1OC ZINC000365834441 521890816 /nfs/dbraw/zinc/89/08/16/521890816.db2.gz ANKHLWVASASCEU-OAHLLOKOSA-N 1 2 290.363 1.804 20 30 CDEDLO C=CCCOCC(=O)N1CC[NH+](CCOCCCC)CC1 ZINC001113710534 1162262826 /nfs/dbraw/zinc/26/28/26/1162262826.db2.gz OEWMFIIOHYBVSY-UHFFFAOYSA-N 1 2 298.427 1.540 20 30 CDEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC000332236691 534750359 /nfs/dbraw/zinc/75/03/59/534750359.db2.gz OPPKYHVXRABVLH-MWLCHTKSSA-N 1 2 274.349 1.538 20 30 CDEDLO Cc1c(C#N)cccc1NC(=O)NCc1ccc(N)[nH+]c1 ZINC000338425075 525549816 /nfs/dbraw/zinc/54/98/16/525549816.db2.gz PKPPLNWOLRUCJN-UHFFFAOYSA-N 1 2 281.319 1.996 20 30 CDEDLO C=CC[N@@H+](CCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000355891310 526272407 /nfs/dbraw/zinc/27/24/07/526272407.db2.gz NYTFQWNUAYSQGY-SECBINFHSA-N 1 2 271.304 1.614 20 30 CDEDLO C=CC[N@H+](CCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000355891310 526272416 /nfs/dbraw/zinc/27/24/16/526272416.db2.gz NYTFQWNUAYSQGY-SECBINFHSA-N 1 2 271.304 1.614 20 30 CDEDLO C=C(C)CS(=O)(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000352309905 526685703 /nfs/dbraw/zinc/68/57/03/526685703.db2.gz DFFRNWVWMRPFSY-LLVKDONJSA-N 1 2 269.370 1.367 20 30 CDEDLO C=CCOCC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000354875000 526708211 /nfs/dbraw/zinc/70/82/11/526708211.db2.gz AIFUDRHTROACKU-UHFFFAOYSA-N 1 2 289.310 1.830 20 30 CDEDLO C#CCNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000115779280 527012412 /nfs/dbraw/zinc/01/24/12/527012412.db2.gz PVLMYFCCJQBNPR-GFCCVEGCSA-N 1 2 281.306 1.500 20 30 CDEDLO C=CCN(C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000352747104 527567155 /nfs/dbraw/zinc/56/71/55/527567155.db2.gz VKCKAZCCBVUFPG-UHFFFAOYSA-N 1 2 271.324 1.976 20 30 CDEDLO CC(C)CCN1C(=O)C[C@H]([NH+]2CCC(C#N)CC2)C1=O ZINC000352272403 527721748 /nfs/dbraw/zinc/72/17/48/527721748.db2.gz WEZSDTVCACSAKB-ZDUSSCGKSA-N 1 2 277.368 1.396 20 30 CDEDLO CC1CC(NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000330023508 528154533 /nfs/dbraw/zinc/15/45/33/528154533.db2.gz ITCPVLMNVIOFEE-UHFFFAOYSA-N 1 2 291.399 1.250 20 30 CDEDLO CC[C@H]1C[N@H+](CCNC(=O)C2(C#N)CCCCC2)CCO1 ZINC000347611255 529291936 /nfs/dbraw/zinc/29/19/36/529291936.db2.gz HHHNKNMKSWSROX-AWEZNQCLSA-N 1 2 293.411 1.687 20 30 CDEDLO CC[C@H]1C[N@@H+](CCNC(=O)C2(C#N)CCCCC2)CCO1 ZINC000347611255 529291938 /nfs/dbraw/zinc/29/19/38/529291938.db2.gz HHHNKNMKSWSROX-AWEZNQCLSA-N 1 2 293.411 1.687 20 30 CDEDLO C=CCCCNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000675124300 538471360 /nfs/dbraw/zinc/47/13/60/538471360.db2.gz CALOFTNVNXWKPE-ZDUSSCGKSA-N 1 2 290.367 1.129 20 30 CDEDLO C[C@@]1(CNC(=O)NCC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC000329322445 538560051 /nfs/dbraw/zinc/56/00/51/538560051.db2.gz FMOSGNUZZHESPK-HNNXBMFYSA-N 1 2 299.415 1.027 20 30 CDEDLO C[C@@]1(CNC(=O)NCC[N@H+]2CCOCC2(C)C)CCOC1 ZINC000329322445 538560060 /nfs/dbraw/zinc/56/00/60/538560060.db2.gz FMOSGNUZZHESPK-HNNXBMFYSA-N 1 2 299.415 1.027 20 30 CDEDLO C[C@H](Oc1cccnc1)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000329566668 538584334 /nfs/dbraw/zinc/58/43/34/538584334.db2.gz OWUSDFLWZKJWRI-STQMWFEESA-N 1 2 293.367 1.526 20 30 CDEDLO C[C@H](Oc1cccnc1)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000329566668 538584343 /nfs/dbraw/zinc/58/43/43/538584343.db2.gz OWUSDFLWZKJWRI-STQMWFEESA-N 1 2 293.367 1.526 20 30 CDEDLO CN1C(=O)CC[C@@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000329591187 538589193 /nfs/dbraw/zinc/58/91/93/538589193.db2.gz ZUTNNXVPNKTHSB-LLVKDONJSA-N 1 2 272.308 1.412 20 30 CDEDLO C#CCOc1ccc(C[NH2+]Cc2nnnn2C2CC2)cc1 ZINC000742387968 574420875 /nfs/dbraw/zinc/42/08/75/574420875.db2.gz LQMHKFPKURHFHS-UHFFFAOYSA-N 1 2 283.335 1.310 20 30 CDEDLO C#CCC[NH+]1CCN(S(=O)(=O)CC2CCCCC2)CC1 ZINC000725829116 574441212 /nfs/dbraw/zinc/44/12/12/574441212.db2.gz UAWCUWJDUULFIQ-UHFFFAOYSA-N 1 2 298.452 1.537 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cnn(C)c2C(F)F)CC1 ZINC000727382214 574581590 /nfs/dbraw/zinc/58/15/90/574581590.db2.gz MLMLZECTSANLKD-UHFFFAOYSA-N 1 2 296.321 1.139 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C2CC2)[nH]n1 ZINC000730279782 574908900 /nfs/dbraw/zinc/90/89/00/574908900.db2.gz ICXYEUMWBWINIS-LBPRGKRZSA-N 1 2 258.325 1.323 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C2CC2)[nH]n1 ZINC000730279782 574908903 /nfs/dbraw/zinc/90/89/03/574908903.db2.gz ICXYEUMWBWINIS-LBPRGKRZSA-N 1 2 258.325 1.323 20 30 CDEDLO Oc1cccc(/C=[NH+]/Cc2nnnn2-c2ccccc2)c1O ZINC000730434390 574981461 /nfs/dbraw/zinc/98/14/61/574981461.db2.gz LADWBHFANNZOFZ-CXUHLZMHSA-N 1 2 295.302 1.693 20 30 CDEDLO C#CCC[NH+]1CCN(S(=O)(=O)C[C@H](C)CC)CC1 ZINC000733314110 575114417 /nfs/dbraw/zinc/11/44/17/575114417.db2.gz JXEVCBGUGQPRNF-CYBMUJFWSA-N 1 2 272.414 1.003 20 30 CDEDLO C[S@](=O)CCN1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000769753523 575380519 /nfs/dbraw/zinc/38/05/19/575380519.db2.gz SXRAFKFOXUZEQH-FQEVSTJZSA-N 1 2 299.484 1.703 20 30 CDEDLO C[S@](=O)CC[NH+]1CCN(CCCCC(C)(C)C#N)CC1 ZINC000769753523 575380522 /nfs/dbraw/zinc/38/05/22/575380522.db2.gz SXRAFKFOXUZEQH-FQEVSTJZSA-N 1 2 299.484 1.703 20 30 CDEDLO Cc1nc(Cl)cc(N=NCc2c[nH+]cn2C)n1 ZINC000755746221 575491486 /nfs/dbraw/zinc/49/14/86/575491486.db2.gz XECDCKCAEFOGLJ-UHFFFAOYSA-N 1 2 250.693 1.618 20 30 CDEDLO N#CCC(=O)NCc1ccc[nH+]c1N1CCCCC1 ZINC000772455106 575705900 /nfs/dbraw/zinc/70/59/00/575705900.db2.gz ZXJNNUPTWSRQOR-UHFFFAOYSA-N 1 2 258.325 1.602 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761075997 576542483 /nfs/dbraw/zinc/54/24/83/576542483.db2.gz GGTPUZUFPHJKCL-ZIAGYGMSSA-N 1 2 267.417 1.435 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCN(C)[C@H](C)C1 ZINC000761075997 576542484 /nfs/dbraw/zinc/54/24/84/576542484.db2.gz GGTPUZUFPHJKCL-ZIAGYGMSSA-N 1 2 267.417 1.435 20 30 CDEDLO Cc1ccc(C)c(S(=O)(=O)NN=C2C[C@@H](C)[N@@H+](C)C2)c1 ZINC000761792253 576593542 /nfs/dbraw/zinc/59/35/42/576593542.db2.gz DBEGIVBTXVTRRR-GFCCVEGCSA-N 1 2 295.408 1.662 20 30 CDEDLO Cc1ccc(C)c(S(=O)(=O)NN=C2C[C@@H](C)[N@H+](C)C2)c1 ZINC000761792253 576593545 /nfs/dbraw/zinc/59/35/45/576593545.db2.gz DBEGIVBTXVTRRR-GFCCVEGCSA-N 1 2 295.408 1.662 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000762232545 576631542 /nfs/dbraw/zinc/63/15/42/576631542.db2.gz NUGJOPCNCBNSHB-UHFFFAOYSA-N 1 2 283.287 1.115 20 30 CDEDLO CC(C)COC[C@H]([NH2+]CC(=O)NCCC#N)c1ccco1 ZINC000754301033 576891250 /nfs/dbraw/zinc/89/12/50/576891250.db2.gz GNBNXUTXQTYGKH-ZDUSSCGKSA-N 1 2 293.367 1.613 20 30 CDEDLO C[NH+]1CCC(C#N)(NC(=O)c2csc(C=O)c2)CC1 ZINC000754997315 576925148 /nfs/dbraw/zinc/92/51/48/576925148.db2.gz MCJLLKWYDQFDTM-UHFFFAOYSA-N 1 2 277.349 1.278 20 30 CDEDLO C=CCNC(=S)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000755398419 576943142 /nfs/dbraw/zinc/94/31/42/576943142.db2.gz PVDMZZOCJLLJKC-JTQLQIEISA-N 1 2 250.371 1.270 20 30 CDEDLO Cc1[nH]c[nH+]c1C=NNS(=O)(=O)c1cc(C)ccc1C ZINC000755488453 576946611 /nfs/dbraw/zinc/94/66/11/576946611.db2.gz OPSSBDYBMQTXRK-UHFFFAOYSA-N 1 2 292.364 1.647 20 30 CDEDLO COc1ccc(N=NCc2c[nH+]cn2C)c([N+](=O)[O-])c1 ZINC000755802924 576962018 /nfs/dbraw/zinc/96/20/18/576962018.db2.gz PQBHFKYGHIINLI-UHFFFAOYSA-N 1 2 275.268 1.783 20 30 CDEDLO c1ccc(N2CCC(=NNC3CCOCC3)CC2)[nH+]c1 ZINC000757599056 577045099 /nfs/dbraw/zinc/04/50/99/577045099.db2.gz PVFSODWJNXQQEH-UHFFFAOYSA-N 1 2 274.368 1.806 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2nocc2C)C1 ZINC000957106347 612993223 /nfs/dbraw/zinc/99/32/23/612993223.db2.gz ZNHDWRKJUCDYGX-UHFFFAOYSA-N 1 2 261.325 1.153 20 30 CDEDLO C=CC[N@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000823903524 608266693 /nfs/dbraw/zinc/26/66/93/608266693.db2.gz CHNAACGZOZRBCA-UHFFFAOYSA-N 1 2 298.350 1.456 20 30 CDEDLO C=CC[N@@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000823903524 608266695 /nfs/dbraw/zinc/26/66/95/608266695.db2.gz CHNAACGZOZRBCA-UHFFFAOYSA-N 1 2 298.350 1.456 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(CC)ccn2)C1 ZINC000950410791 612991711 /nfs/dbraw/zinc/99/17/11/612991711.db2.gz TWTTVQGNIWPREU-UHFFFAOYSA-N 1 2 285.391 1.814 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccnc(C)c2)C1 ZINC000956985037 612992543 /nfs/dbraw/zinc/99/25/43/612992543.db2.gz HDVQXLNAGCUZKM-UHFFFAOYSA-N 1 2 271.364 1.560 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2cc([C@@H](C)CC)no2)CC1 ZINC000982114217 613157651 /nfs/dbraw/zinc/15/76/51/613157651.db2.gz XSFBYSWVXADEJY-ZDUSSCGKSA-N 1 2 289.379 1.969 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc([C@@H](C)CC)no2)CC1 ZINC000982114217 613157653 /nfs/dbraw/zinc/15/76/53/613157653.db2.gz XSFBYSWVXADEJY-ZDUSSCGKSA-N 1 2 289.379 1.969 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)C=CCC3)C2)C1 ZINC000972507159 613212957 /nfs/dbraw/zinc/21/29/57/613212957.db2.gz WVNFQVLEIXXPKQ-DLBZAZTESA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)C=CCC3)C2)C1 ZINC000972507159 613212958 /nfs/dbraw/zinc/21/29/58/613212958.db2.gz WVNFQVLEIXXPKQ-DLBZAZTESA-N 1 2 288.391 1.279 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H]2CC[C@@H](CC)O2)CC1 ZINC000948604249 613319073 /nfs/dbraw/zinc/31/90/73/613319073.db2.gz TVVSNJSPQCMMPK-ZIAGYGMSSA-N 1 2 266.385 1.664 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2c(Cl)n[nH]c2CC)CC1 ZINC000948712547 613320182 /nfs/dbraw/zinc/32/01/82/613320182.db2.gz GSAIISYKGPKTKG-UHFFFAOYSA-N 1 2 296.802 1.959 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2nncc3ccccc32)CC1 ZINC000949241314 613322233 /nfs/dbraw/zinc/32/22/33/613322233.db2.gz QGVZJVZXUOZFET-UHFFFAOYSA-N 1 2 296.374 1.964 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cccc(=O)[nH]2)C1 ZINC000969447658 613371748 /nfs/dbraw/zinc/37/17/48/613371748.db2.gz AXKGKTNZULMFPY-SNVBAGLBSA-N 1 2 295.770 1.590 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1cn[nH]n1 ZINC000968931219 613373016 /nfs/dbraw/zinc/37/30/16/613373016.db2.gz JHZLJTCJTOTRDB-NSHDSACASA-N 1 2 297.790 1.532 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1cn[nH]n1 ZINC000968931219 613373017 /nfs/dbraw/zinc/37/30/17/613373017.db2.gz JHZLJTCJTOTRDB-NSHDSACASA-N 1 2 297.790 1.532 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2cnoc2)C1 ZINC000967946849 613375605 /nfs/dbraw/zinc/37/56/05/613375605.db2.gz UUUJVFGSTHSAIN-MFKMUULPSA-N 1 2 297.786 1.796 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2cnoc2)C1 ZINC000967946849 613375606 /nfs/dbraw/zinc/37/56/06/613375606.db2.gz UUUJVFGSTHSAIN-MFKMUULPSA-N 1 2 297.786 1.796 20 30 CDEDLO C=C(Cl)CN1CC[C@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968698750 613377734 /nfs/dbraw/zinc/37/77/34/613377734.db2.gz RMYMJTZJTLERBU-WCQYABFASA-N 1 2 296.802 1.462 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2=CCOCC2)C(C)(C)C1 ZINC000974499689 613380839 /nfs/dbraw/zinc/38/08/39/613380839.db2.gz IZWDMWHUJCCQQR-ZDUSSCGKSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2=CCOCC2)C(C)(C)C1 ZINC000974499689 613380840 /nfs/dbraw/zinc/38/08/40/613380840.db2.gz IZWDMWHUJCCQQR-ZDUSSCGKSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccnnc2)C(C)(C)C1 ZINC000975100461 613381296 /nfs/dbraw/zinc/38/12/96/613381296.db2.gz WXCQVJWBWXAZCK-LBPRGKRZSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccnnc2)C(C)(C)C1 ZINC000975100461 613381297 /nfs/dbraw/zinc/38/12/97/613381297.db2.gz WXCQVJWBWXAZCK-LBPRGKRZSA-N 1 2 294.786 1.669 20 30 CDEDLO C=CCC[NH+]1CC(N(CC)C(=O)c2ccns2)C1 ZINC000950445798 613480241 /nfs/dbraw/zinc/48/02/41/613480241.db2.gz ATXBJPKEXWJSEB-UHFFFAOYSA-N 1 2 265.382 1.866 20 30 CDEDLO C=CCC[NH+]1CCN(C(=O)c2scnc2COC)CC1 ZINC000951565966 613512969 /nfs/dbraw/zinc/51/29/69/613512969.db2.gz AQBLZPQHIPTNCX-UHFFFAOYSA-N 1 2 295.408 1.623 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3CC)C2)C1 ZINC000972561124 613570988 /nfs/dbraw/zinc/57/09/88/613570988.db2.gz LNXNFDMWXIULHK-BFYDXBDKSA-N 1 2 290.407 1.359 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3CC)C2)C1 ZINC000972561124 613570992 /nfs/dbraw/zinc/57/09/92/613570992.db2.gz LNXNFDMWXIULHK-BFYDXBDKSA-N 1 2 290.407 1.359 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)NCC#C[C@H]3CCCCO3)ccn12 ZINC000891112996 617364563 /nfs/dbraw/zinc/36/45/63/617364563.db2.gz RGVAQCQQJXOCCF-OAHLLOKOSA-N 1 2 297.358 1.945 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)C2CCOCC2)C1 ZINC000949560313 613653459 /nfs/dbraw/zinc/65/34/59/613653459.db2.gz NGILQZLZZWOYJX-UHFFFAOYSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc3ccccc3c(=O)[nH]2)CC1 ZINC000948762549 613714948 /nfs/dbraw/zinc/71/49/48/613714948.db2.gz ZRAJZIUSDIZWMR-UHFFFAOYSA-N 1 2 297.358 1.884 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(OC)nc2)CC1 ZINC000949188414 613716127 /nfs/dbraw/zinc/71/61/27/613716127.db2.gz NHIJRAMZBBANEB-UHFFFAOYSA-N 1 2 261.325 1.034 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc3c2CCOC3)CC1 ZINC000949243066 613716906 /nfs/dbraw/zinc/71/69/06/613716906.db2.gz ABDRTBWKQIDSMS-UHFFFAOYSA-N 1 2 286.375 1.703 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccnc3[nH]c(CC)nc32)CC1 ZINC000949442883 613717659 /nfs/dbraw/zinc/71/76/59/613717659.db2.gz LIQULZWBGXYIQQ-UHFFFAOYSA-N 1 2 299.378 1.464 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc(C3CC3)nc2)CC1 ZINC000951219204 613718266 /nfs/dbraw/zinc/71/82/66/613718266.db2.gz UKJVJKWDQDGVAX-UHFFFAOYSA-N 1 2 272.352 1.298 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC34CC4)C2)C1 ZINC000972572339 613723685 /nfs/dbraw/zinc/72/36/85/613723685.db2.gz QCZXHLUXLYFDCC-BBRMVZONSA-N 1 2 276.380 1.276 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC34CC4)C2)C1 ZINC000972572339 613723686 /nfs/dbraw/zinc/72/36/86/613723686.db2.gz QCZXHLUXLYFDCC-BBRMVZONSA-N 1 2 276.380 1.276 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc[nH]3)C2)C1 ZINC000972683122 613725305 /nfs/dbraw/zinc/72/53/05/613725305.db2.gz LPTUBOIAKXEGPQ-MRXNPFEDSA-N 1 2 289.379 1.047 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc[nH]3)C2)C1 ZINC000972683122 613725306 /nfs/dbraw/zinc/72/53/06/613725306.db2.gz LPTUBOIAKXEGPQ-MRXNPFEDSA-N 1 2 289.379 1.047 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC34CC4)C2)C1 ZINC000972572343 613725993 /nfs/dbraw/zinc/72/59/93/613725993.db2.gz QCZXHLUXLYFDCC-XJKSGUPXSA-N 1 2 276.380 1.276 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC34CC4)C2)C1 ZINC000972572343 613725994 /nfs/dbraw/zinc/72/59/94/613725994.db2.gz QCZXHLUXLYFDCC-XJKSGUPXSA-N 1 2 276.380 1.276 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](F)C(C)C)C2)C1 ZINC000972509255 613726791 /nfs/dbraw/zinc/72/67/91/613726791.db2.gz CDGHQWLSBXEZSX-UKRRQHHQSA-N 1 2 284.375 1.470 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](F)C(C)C)C2)C1 ZINC000972509255 613726792 /nfs/dbraw/zinc/72/67/92/613726792.db2.gz CDGHQWLSBXEZSX-UKRRQHHQSA-N 1 2 284.375 1.470 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000891511908 617453169 /nfs/dbraw/zinc/45/31/69/617453169.db2.gz DLDXFEJEJUIXDP-CQSZACIVSA-N 1 2 293.411 1.295 20 30 CDEDLO C[C@@H]1CN(c2cc(C#N)sc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000893277477 617511808 /nfs/dbraw/zinc/51/18/08/617511808.db2.gz QZKFLBQDTIYFFQ-SECBINFHSA-N 1 2 296.352 1.031 20 30 CDEDLO C[C@@H]1CN(c2cc(C#N)sc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000893277477 617511810 /nfs/dbraw/zinc/51/18/10/617511810.db2.gz QZKFLBQDTIYFFQ-SECBINFHSA-N 1 2 296.352 1.031 20 30 CDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H]1CO ZINC000934022486 617862510 /nfs/dbraw/zinc/86/25/10/617862510.db2.gz YNVYFUGVSKHRRX-HIFRSBDPSA-N 1 2 287.363 1.388 20 30 CDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H]1CO ZINC000934022486 617862511 /nfs/dbraw/zinc/86/25/11/617862511.db2.gz YNVYFUGVSKHRRX-HIFRSBDPSA-N 1 2 287.363 1.388 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1csc(C#N)c1)CCO2 ZINC000894140419 618618507 /nfs/dbraw/zinc/61/85/07/618618507.db2.gz BWVPYGKHTPSERG-FZMZJTMJSA-N 1 2 278.377 2.000 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1csc(C#N)c1)CCO2 ZINC000894140419 618618513 /nfs/dbraw/zinc/61/85/13/618618513.db2.gz BWVPYGKHTPSERG-FZMZJTMJSA-N 1 2 278.377 2.000 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cn(CC)nc2C)C1=O ZINC000894232387 618740342 /nfs/dbraw/zinc/74/03/42/618740342.db2.gz ZMLWTZMSLRKBQR-CQSZACIVSA-N 1 2 276.384 1.430 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cn(CC)nc2C)C1=O ZINC000894232387 618740345 /nfs/dbraw/zinc/74/03/45/618740345.db2.gz ZMLWTZMSLRKBQR-CQSZACIVSA-N 1 2 276.384 1.430 20 30 CDEDLO CCc1cc(N2CC[C@@](O)(CC#N)C2)nc(CC)[nH+]1 ZINC000894350511 618810288 /nfs/dbraw/zinc/81/02/88/618810288.db2.gz RAFLXKDBPPAYRQ-AWEZNQCLSA-N 1 2 260.341 1.456 20 30 CDEDLO Cc1[nH]c(CNC(=O)c2cc(C#N)cc(N(C)C)c2)[nH+]c1C ZINC000896909138 620298899 /nfs/dbraw/zinc/29/88/99/620298899.db2.gz BSQKQUZCLJEGRQ-UHFFFAOYSA-N 1 2 297.362 1.894 20 30 CDEDLO C=CCOCCCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896916363 620306360 /nfs/dbraw/zinc/30/63/60/620306360.db2.gz XGEOENCVAMBYSS-UHFFFAOYSA-N 1 2 251.330 1.626 20 30 CDEDLO C=C1CCC(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000898664318 621835204 /nfs/dbraw/zinc/83/52/04/621835204.db2.gz CZTQFEBMHLCDQC-KBPBESRZSA-N 1 2 280.412 1.958 20 30 CDEDLO C=C1CCC(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000898664318 621835205 /nfs/dbraw/zinc/83/52/05/621835205.db2.gz CZTQFEBMHLCDQC-KBPBESRZSA-N 1 2 280.412 1.958 20 30 CDEDLO CC#CC[NH2+]Cc1cn(-c2ccc(C)c(F)c2)nn1 ZINC000899747345 622413348 /nfs/dbraw/zinc/41/33/48/622413348.db2.gz BCWPVCYAIZKNPA-UHFFFAOYSA-N 1 2 258.300 1.828 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cc(C)cc(C)n2)nn1 ZINC000900622724 623307757 /nfs/dbraw/zinc/30/77/57/623307757.db2.gz SSKAEIVFPDAGFU-UHFFFAOYSA-N 1 2 269.352 1.451 20 30 CDEDLO C#CC[N@H+](CN1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1=O)C(C)C ZINC000902383336 624740720 /nfs/dbraw/zinc/74/07/20/624740720.db2.gz LJJUKINAESKZRB-FHIRATQRSA-N 1 2 288.391 1.709 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1=O)C(C)C ZINC000902383336 624740724 /nfs/dbraw/zinc/74/07/24/624740724.db2.gz LJJUKINAESKZRB-FHIRATQRSA-N 1 2 288.391 1.709 20 30 CDEDLO C#CCOCCc1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904269670 626235817 /nfs/dbraw/zinc/23/58/17/626235817.db2.gz PCABECRSJCYKJS-UHFFFAOYSA-N 1 2 258.281 1.215 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H](C#N)C1 ZINC000905143250 626655369 /nfs/dbraw/zinc/65/53/69/626655369.db2.gz XNPWQRYFLRILNX-NWDGAFQWSA-N 1 2 261.329 1.217 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000906698061 627377215 /nfs/dbraw/zinc/37/72/15/627377215.db2.gz TUGHGSMEIMLANP-STQMWFEESA-N 1 2 261.325 1.248 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccsc1C#N ZINC000907046644 627509429 /nfs/dbraw/zinc/50/94/29/627509429.db2.gz IVMKSQJPPLYHNY-UHFFFAOYSA-N 1 2 274.349 1.979 20 30 CDEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@@]2(C#N)CC2(C)C)[nH]n1 ZINC000908298318 628129826 /nfs/dbraw/zinc/12/98/26/628129826.db2.gz FMFZYUOVLGLPPU-SWLSCSKDSA-N 1 2 287.367 1.598 20 30 CDEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@@]2(C#N)CC2(C)C)[nH]n1 ZINC000908298318 628129828 /nfs/dbraw/zinc/12/98/28/628129828.db2.gz FMFZYUOVLGLPPU-SWLSCSKDSA-N 1 2 287.367 1.598 20 30 CDEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC000908658751 628318967 /nfs/dbraw/zinc/31/89/67/628318967.db2.gz GORSBDKOESWIAH-CQSZACIVSA-N 1 2 289.379 1.879 20 30 CDEDLO C#Cc1cccc(NC(=O)N[C@H](C)C[NH+]2CCOCC2)c1 ZINC000045987925 630600143 /nfs/dbraw/zinc/60/01/43/630600143.db2.gz DSRZXAICMLIKCX-CYBMUJFWSA-N 1 2 287.363 1.510 20 30 CDEDLO COc1cc(C[N@H+](C)CC(=O)NCCC#N)cc(OC)c1 ZINC000920089891 632719564 /nfs/dbraw/zinc/71/95/64/632719564.db2.gz XVEUACYRIVEVGD-UHFFFAOYSA-N 1 2 291.351 1.165 20 30 CDEDLO COc1cc(C[N@@H+](C)CC(=O)NCCC#N)cc(OC)c1 ZINC000920089891 632719568 /nfs/dbraw/zinc/71/95/68/632719568.db2.gz XVEUACYRIVEVGD-UHFFFAOYSA-N 1 2 291.351 1.165 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3ncccn3)C[C@H]21 ZINC001114024961 1162402775 /nfs/dbraw/zinc/40/27/75/1162402775.db2.gz GWHAHSAWFCXNDQ-RMRHIDDWSA-N 1 2 286.379 1.550 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3ncccn3)C[C@H]21 ZINC001114024961 1162402778 /nfs/dbraw/zinc/40/27/78/1162402778.db2.gz GWHAHSAWFCXNDQ-RMRHIDDWSA-N 1 2 286.379 1.550 20 30 CDEDLO Cc1nc(NCCc2cn3ccccc3[nH+]2)cnc1C#N ZINC001158144769 1162740035 /nfs/dbraw/zinc/74/00/35/1162740035.db2.gz CIKDOQBOBILLPP-UHFFFAOYSA-N 1 2 278.319 1.959 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(-c2ccccc2)c1 ZINC001038476867 1160584374 /nfs/dbraw/zinc/58/43/74/1160584374.db2.gz RSJWVPNBQMFQEI-MRXNPFEDSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(-c2ccccc2)c1 ZINC001038476867 1160584381 /nfs/dbraw/zinc/58/43/81/1160584381.db2.gz RSJWVPNBQMFQEI-MRXNPFEDSA-N 1 2 294.358 1.310 20 30 CDEDLO C=CCCC(=O)NC[C@H](C)[NH2+][C@H](C)c1nc(CC)no1 ZINC001752864366 1160776629 /nfs/dbraw/zinc/77/66/29/1160776629.db2.gz PVZUWXCLHAOVGD-WDEREUQCSA-N 1 2 280.372 1.754 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(NC(=O)CC)c2)C1 ZINC001030397441 1161006382 /nfs/dbraw/zinc/00/63/82/1161006382.db2.gz BZQWPZAQKDSMSJ-UHFFFAOYSA-N 1 2 299.374 1.472 20 30 CDEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)SC)[C@H]2C1 ZINC001083052644 1161583927 /nfs/dbraw/zinc/58/39/27/1161583927.db2.gz WMHADHUTDVMUBQ-XQQFMLRXSA-N 1 2 284.425 1.226 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)SC)[C@H]2C1 ZINC001083052644 1161583930 /nfs/dbraw/zinc/58/39/30/1161583930.db2.gz WMHADHUTDVMUBQ-XQQFMLRXSA-N 1 2 284.425 1.226 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Nc2ncc(Cl)c(C)c2C#N)C[NH2+]1 ZINC001169130928 1161999086 /nfs/dbraw/zinc/99/90/86/1161999086.db2.gz VMWSLLIEXCNNIQ-KCJUWKMLSA-N 1 2 294.742 1.231 20 30 CDEDLO C=CCCOCC(=O)N(C)CCCNc1cc[nH+]c(C)n1 ZINC001109466704 1162033584 /nfs/dbraw/zinc/03/35/84/1162033584.db2.gz RHSQRBMEHSVBFH-UHFFFAOYSA-N 1 2 292.383 1.638 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@]2(C)CCO[C@@H]2C)CC1 ZINC001113136719 1162111556 /nfs/dbraw/zinc/11/15/56/1162111556.db2.gz GSGDFEIFCRGEFN-ZBFHGGJFSA-N 1 2 296.411 1.148 20 30 CDEDLO C=CCCCC(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001113280035 1162144555 /nfs/dbraw/zinc/14/45/55/1162144555.db2.gz UIFQSGHPYXQQTJ-UHFFFAOYSA-N 1 2 276.384 1.421 20 30 CDEDLO Cc1cc(C=NNc2[nH+]ccn2C)ccc1-c1nn[nH]n1 ZINC001605652543 1163635032 /nfs/dbraw/zinc/63/50/32/1163635032.db2.gz MHAKZENJPQTOKN-UHFFFAOYSA-N 1 2 282.311 1.355 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001252594195 1164559023 /nfs/dbraw/zinc/55/90/23/1164559023.db2.gz UIFPXUBXGKVEFK-VWYCJHECSA-N 1 2 285.281 1.651 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001252594195 1164559030 /nfs/dbraw/zinc/55/90/30/1164559030.db2.gz UIFPXUBXGKVEFK-VWYCJHECSA-N 1 2 285.281 1.651 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001252603056 1164571319 /nfs/dbraw/zinc/57/13/19/1164571319.db2.gz KTYMZHJTIQSQFR-UKRRQHHQSA-N 1 2 262.353 1.782 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001252603056 1164571325 /nfs/dbraw/zinc/57/13/25/1164571325.db2.gz KTYMZHJTIQSQFR-UKRRQHHQSA-N 1 2 262.353 1.782 20 30 CDEDLO C#CCC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccon4)C[C@H]32)CCC1 ZINC001114396807 1164578627 /nfs/dbraw/zinc/57/86/27/1164578627.db2.gz DWNXWEFLFLTIHB-FICVDOATSA-N 1 2 299.374 1.415 20 30 CDEDLO C#CCC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccon4)C[C@H]32)CCC1 ZINC001114396807 1164578632 /nfs/dbraw/zinc/57/86/32/1164578632.db2.gz DWNXWEFLFLTIHB-FICVDOATSA-N 1 2 299.374 1.415 20 30 CDEDLO Cc1cc(-c2nn[nH]n2)ccc1C[N@@H+](C)[C@@H](C)CC#N ZINC001609388564 1164922908 /nfs/dbraw/zinc/92/29/08/1164922908.db2.gz ZMFLLEUZTSPAIL-NSHDSACASA-N 1 2 270.340 1.909 20 30 CDEDLO Cc1cc(-c2nn[nH]n2)ccc1C[N@H+](C)[C@@H](C)CC#N ZINC001609388564 1164922913 /nfs/dbraw/zinc/92/29/13/1164922913.db2.gz ZMFLLEUZTSPAIL-NSHDSACASA-N 1 2 270.340 1.909 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cncc(C3CC3)c2)CC1 ZINC001238194306 1167401806 /nfs/dbraw/zinc/40/18/06/1167401806.db2.gz PDIGLQXWIWMESQ-UHFFFAOYSA-N 1 2 255.365 1.710 20 30 CDEDLO C#CCN1CC[NH+](Cc2cncc(C3CC3)c2)CC1 ZINC001238194306 1167401812 /nfs/dbraw/zinc/40/18/12/1167401812.db2.gz PDIGLQXWIWMESQ-UHFFFAOYSA-N 1 2 255.365 1.710 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2c[nH]nn2)C1 ZINC001575072695 1171103469 /nfs/dbraw/zinc/10/34/69/1171103469.db2.gz LBRXWPRYUMCRPN-HUBLWGQQSA-N 1 2 291.399 1.391 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cn[nH]n2)C1 ZINC001575072695 1171103489 /nfs/dbraw/zinc/10/34/89/1171103489.db2.gz LBRXWPRYUMCRPN-HUBLWGQQSA-N 1 2 291.399 1.391 20 30 CDEDLO N#Cc1cccc(NC(=O)NCc2ccc[nH+]c2N)c1 ZINC001666934682 1173208872 /nfs/dbraw/zinc/20/88/72/1173208872.db2.gz RXNGPVIPCSRPOV-UHFFFAOYSA-N 1 2 267.292 1.857 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C#CC(C)(C)C)C2)on1 ZINC001692398686 1175762270 /nfs/dbraw/zinc/76/22/70/1175762270.db2.gz ZEPYSJFOCORHEO-ZDUSSCGKSA-N 1 2 289.379 1.723 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@H](NC(=O)C#CC(C)(C)C)C2)on1 ZINC001692398686 1175762277 /nfs/dbraw/zinc/76/22/77/1175762277.db2.gz ZEPYSJFOCORHEO-ZDUSSCGKSA-N 1 2 289.379 1.723 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CC1(F)F ZINC001714585224 1179243767 /nfs/dbraw/zinc/24/37/67/1179243767.db2.gz VZPHEVWWCIVZBG-VIFPVBQESA-N 1 2 266.719 1.832 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CC1(F)F ZINC001714585224 1179243775 /nfs/dbraw/zinc/24/37/75/1179243775.db2.gz VZPHEVWWCIVZBG-VIFPVBQESA-N 1 2 266.719 1.832 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(C)no1 ZINC001731763197 1182554352 /nfs/dbraw/zinc/55/43/52/1182554352.db2.gz OCTVDIFPAUAWKH-UHFFFAOYSA-N 1 2 257.721 1.397 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(C)no1 ZINC001731763197 1182554359 /nfs/dbraw/zinc/55/43/59/1182554359.db2.gz OCTVDIFPAUAWKH-UHFFFAOYSA-N 1 2 257.721 1.397 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](CC)OCC ZINC001731765190 1182556768 /nfs/dbraw/zinc/55/67/68/1182556768.db2.gz BDALHSILCIKNRG-LLVKDONJSA-N 1 2 262.781 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](CC)OCC ZINC001731765190 1182556772 /nfs/dbraw/zinc/55/67/72/1182556772.db2.gz BDALHSILCIKNRG-LLVKDONJSA-N 1 2 262.781 1.602 20 30 CDEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@H]1CCC1(C)C ZINC001753343206 1185163573 /nfs/dbraw/zinc/16/35/73/1185163573.db2.gz JLYHTOKAOXETJP-CQSZACIVSA-N 1 2 292.427 1.022 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](CC)c1c(C)noc1C ZINC001754497124 1185642159 /nfs/dbraw/zinc/64/21/59/1185642159.db2.gz JJORPFPWZZVHEE-KGLIPLIRSA-N 1 2 289.379 1.609 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](CC)c1c(C)noc1C ZINC001754497124 1185642163 /nfs/dbraw/zinc/64/21/63/1185642163.db2.gz JJORPFPWZZVHEE-KGLIPLIRSA-N 1 2 289.379 1.609 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@H]2CCO[C@@H](C)C2)C1 ZINC001754585025 1185674681 /nfs/dbraw/zinc/67/46/81/1185674681.db2.gz LXABWFLYHIUVIS-KBPBESRZSA-N 1 2 296.411 1.147 20 30 CDEDLO C=CCCCC(=O)N[C@]1(C)CC[N@@H+](Cc2nonc2C)C1 ZINC001754677822 1185701495 /nfs/dbraw/zinc/70/14/95/1185701495.db2.gz AQDUWGFWSUQUCA-OAHLLOKOSA-N 1 2 292.383 1.815 20 30 CDEDLO C=CCCCC(=O)N[C@]1(C)CC[N@H+](Cc2nonc2C)C1 ZINC001754677822 1185701502 /nfs/dbraw/zinc/70/15/02/1185701502.db2.gz AQDUWGFWSUQUCA-OAHLLOKOSA-N 1 2 292.383 1.815 20 30 CDEDLO C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001754696252 1185709179 /nfs/dbraw/zinc/70/91/79/1185709179.db2.gz USPSAIAJITTXLG-CMPLNLGQSA-N 1 2 294.292 1.738 20 30 CDEDLO C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001754696252 1185709183 /nfs/dbraw/zinc/70/91/83/1185709183.db2.gz USPSAIAJITTXLG-CMPLNLGQSA-N 1 2 294.292 1.738 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC1(O)C[NH+](CC=C(C)C)C1 ZINC001754771539 1185727345 /nfs/dbraw/zinc/72/73/45/1185727345.db2.gz CXTGLDSIFNDXKU-UHFFFAOYSA-N 1 2 280.412 1.718 20 30 CDEDLO C=CC(C)(C)C(=O)NCC1(O)C[NH+](CC=C(C)C)C1 ZINC001754771499 1185728006 /nfs/dbraw/zinc/72/80/06/1185728006.db2.gz BIHVQYZKGNOYAZ-UHFFFAOYSA-N 1 2 266.385 1.328 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCCC(C)C)C2)C1 ZINC001755400740 1185940446 /nfs/dbraw/zinc/94/04/46/1185940446.db2.gz AEOCKGVBYFYLOK-QGZVFWFLSA-N 1 2 292.423 1.749 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCCC(C)C)C2)C1 ZINC001755400740 1185940451 /nfs/dbraw/zinc/94/04/51/1185940451.db2.gz AEOCKGVBYFYLOK-QGZVFWFLSA-N 1 2 292.423 1.749 20 30 CDEDLO C#CC[NH+]1CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000305671543 1186648878 /nfs/dbraw/zinc/64/88/78/1186648878.db2.gz XKHRNSIJTDLEMU-OAHLLOKOSA-N 1 2 280.318 1.249 20 30 CDEDLO C#CCN1CC[NH+](C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000305671543 1186648882 /nfs/dbraw/zinc/64/88/82/1186648882.db2.gz XKHRNSIJTDLEMU-OAHLLOKOSA-N 1 2 280.318 1.249 20 30 CDEDLO Cc1ncc(C[N@H+]2CCCN(C(=O)C#CC(C)C)CC2)o1 ZINC001195781587 1164404781 /nfs/dbraw/zinc/40/47/81/1164404781.db2.gz ZDCWQTZLZRPHLT-UHFFFAOYSA-N 1 2 289.379 1.677 20 30 CDEDLO Cc1ncc(C[N@@H+]2CCCN(C(=O)C#CC(C)C)CC2)o1 ZINC001195781587 1164404784 /nfs/dbraw/zinc/40/47/84/1164404784.db2.gz ZDCWQTZLZRPHLT-UHFFFAOYSA-N 1 2 289.379 1.677 20 30 CDEDLO C#C[C@@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000775383805 739270077 /nfs/dbraw/zinc/27/00/77/739270077.db2.gz KFGJYHGSYKDNFQ-GFCCVEGCSA-N 1 2 253.305 1.683 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2cccnc21 ZINC001038621807 739283931 /nfs/dbraw/zinc/28/39/31/739283931.db2.gz GZXKLLMUFMUCFZ-CVEARBPZSA-N 1 2 297.402 1.715 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2cccnc21 ZINC001038621807 739283945 /nfs/dbraw/zinc/28/39/45/739283945.db2.gz GZXKLLMUFMUCFZ-CVEARBPZSA-N 1 2 297.402 1.715 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccnc1C(F)F ZINC001038507650 739347189 /nfs/dbraw/zinc/34/71/89/739347189.db2.gz RLVVYNPMMHLLFG-SNVBAGLBSA-N 1 2 279.290 1.457 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccnc1C(F)F ZINC001038507650 739347191 /nfs/dbraw/zinc/34/71/91/739347191.db2.gz RLVVYNPMMHLLFG-SNVBAGLBSA-N 1 2 279.290 1.457 20 30 CDEDLO C#CC[C@@H]([NH2+]C1CCN(c2nccs2)CC1)C(=O)OC ZINC000839168882 739343368 /nfs/dbraw/zinc/34/33/68/739343368.db2.gz OAISVEFPVDFHBB-GFCCVEGCSA-N 1 2 293.392 1.266 20 30 CDEDLO C#CC1CC[NH+]([C@H](C)C(=O)Nc2nccs2)CC1 ZINC000830334118 739715696 /nfs/dbraw/zinc/71/56/96/739715696.db2.gz XWNCLBGYJKUZNY-SNVBAGLBSA-N 1 2 263.366 1.815 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccc2ccccc21 ZINC001032593150 739700715 /nfs/dbraw/zinc/70/07/15/739700715.db2.gz WDNJQZJLGYRUBW-GJZGRUSLSA-N 1 2 291.354 1.767 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccc2ccccc21 ZINC001032593150 739700716 /nfs/dbraw/zinc/70/07/16/739700716.db2.gz WDNJQZJLGYRUBW-GJZGRUSLSA-N 1 2 291.354 1.767 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001016158250 739788327 /nfs/dbraw/zinc/78/83/27/739788327.db2.gz CEQUZRDYXNBUTJ-NSHDSACASA-N 1 2 281.743 1.344 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001016158250 739788331 /nfs/dbraw/zinc/78/83/31/739788331.db2.gz CEQUZRDYXNBUTJ-NSHDSACASA-N 1 2 281.743 1.344 20 30 CDEDLO C=C(Br)C[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000798193104 739812158 /nfs/dbraw/zinc/81/21/58/739812158.db2.gz GEUTZJSAJIAGLS-UHFFFAOYSA-N 1 2 287.161 1.529 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2Cc3ccncc3C2)C1 ZINC001043887155 739813503 /nfs/dbraw/zinc/81/35/03/739813503.db2.gz VWTZDFJCCVPFGW-CYBMUJFWSA-N 1 2 271.364 1.125 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(F)nc1 ZINC001050843535 739820605 /nfs/dbraw/zinc/82/06/05/739820605.db2.gz FFLUAIFEKYLMNE-ZDUSSCGKSA-N 1 2 293.342 1.227 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(F)nc1 ZINC001050843535 739820606 /nfs/dbraw/zinc/82/06/06/739820606.db2.gz FFLUAIFEKYLMNE-ZDUSSCGKSA-N 1 2 293.342 1.227 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnn(C2CCC2)c1 ZINC000889051501 739821221 /nfs/dbraw/zinc/82/12/21/739821221.db2.gz XXELNKOBWGFMSZ-AWEZNQCLSA-N 1 2 272.352 1.644 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnn(C2CCC2)c1 ZINC000889051501 739821223 /nfs/dbraw/zinc/82/12/23/739821223.db2.gz XXELNKOBWGFMSZ-AWEZNQCLSA-N 1 2 272.352 1.644 20 30 CDEDLO C=CC[N@@H+](CC(=O)OCC)C[C@@H](OC)C1CCOCC1 ZINC000876609196 739885487 /nfs/dbraw/zinc/88/54/87/739885487.db2.gz ITQXQPOJJDSLED-CQSZACIVSA-N 1 2 285.384 1.479 20 30 CDEDLO C=CC[N@H+](CC(=O)OCC)C[C@@H](OC)C1CCOCC1 ZINC000876609196 739885488 /nfs/dbraw/zinc/88/54/88/739885488.db2.gz ITQXQPOJJDSLED-CQSZACIVSA-N 1 2 285.384 1.479 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nnc1C ZINC001032423805 739887378 /nfs/dbraw/zinc/88/73/78/739887378.db2.gz FKKYAJLOPFHYEF-KBPBESRZSA-N 1 2 284.363 1.015 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nnc1C ZINC001032423805 739887379 /nfs/dbraw/zinc/88/73/79/739887379.db2.gz FKKYAJLOPFHYEF-KBPBESRZSA-N 1 2 284.363 1.015 20 30 CDEDLO C[C@H](CC(=O)N1CCC[C@@H](N(C)CC#N)C1)n1cc[nH+]c1 ZINC001027598494 739890045 /nfs/dbraw/zinc/89/00/45/739890045.db2.gz RGXWXQGEIAGKJD-ZIAGYGMSSA-N 1 2 289.383 1.281 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)ccc1F ZINC001032446293 739931249 /nfs/dbraw/zinc/93/12/49/739931249.db2.gz OLLBMRJUKRXRDS-RYUDHWBXSA-N 1 2 276.286 1.497 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)ccc1F ZINC001032446293 739931261 /nfs/dbraw/zinc/93/12/61/739931261.db2.gz OLLBMRJUKRXRDS-RYUDHWBXSA-N 1 2 276.286 1.497 20 30 CDEDLO C#CCNC(=O)C[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000786153935 739972607 /nfs/dbraw/zinc/97/26/07/739972607.db2.gz XZARZPFOGULTQB-ZETCQYMHSA-N 1 2 291.298 1.562 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@H]1C=CCC1)CCO2 ZINC001053149763 740079310 /nfs/dbraw/zinc/07/93/10/740079310.db2.gz PYYKLNDGURRRKO-HNNXBMFYSA-N 1 2 290.407 1.832 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1(CC)CCCC1 ZINC000884163785 740098368 /nfs/dbraw/zinc/09/83/68/740098368.db2.gz PLHVHOKGWMQOBT-LBPRGKRZSA-N 1 2 282.384 1.520 20 30 CDEDLO C=CCCCC(=O)O[C@@H](COC)C[N@@H+]1CCO[C@H](C)C1 ZINC000842972599 740272685 /nfs/dbraw/zinc/27/26/85/740272685.db2.gz ZKGZBOMOCWQITL-ZIAGYGMSSA-N 1 2 285.384 1.622 20 30 CDEDLO C=CCCCC(=O)O[C@@H](COC)C[N@H+]1CCO[C@H](C)C1 ZINC000842972599 740272688 /nfs/dbraw/zinc/27/26/88/740272688.db2.gz ZKGZBOMOCWQITL-ZIAGYGMSSA-N 1 2 285.384 1.622 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccccc2OC)C1 ZINC001044266871 740311366 /nfs/dbraw/zinc/31/13/66/740311366.db2.gz KTVKDRBYMSIZJK-UHFFFAOYSA-N 1 2 274.364 1.566 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cncs2)C1 ZINC001006873204 740368209 /nfs/dbraw/zinc/36/82/09/740368209.db2.gz UUDOYOMSEZUVBR-NSHDSACASA-N 1 2 263.366 1.361 20 30 CDEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cncs2)C1 ZINC001006873204 740368214 /nfs/dbraw/zinc/36/82/14/740368214.db2.gz UUDOYOMSEZUVBR-NSHDSACASA-N 1 2 263.366 1.361 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2ccc(F)cc2c1 ZINC001038881024 740446761 /nfs/dbraw/zinc/44/67/61/740446761.db2.gz NFDMDNXOGRLHTA-HNNXBMFYSA-N 1 2 297.333 1.811 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2ccc(F)cc2c1 ZINC001038881024 740446769 /nfs/dbraw/zinc/44/67/69/740446769.db2.gz NFDMDNXOGRLHTA-HNNXBMFYSA-N 1 2 297.333 1.811 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3ncccc3o2)C1 ZINC000829583289 740458092 /nfs/dbraw/zinc/45/80/92/740458092.db2.gz YNWJRWLHVVXYKS-GFCCVEGCSA-N 1 2 283.331 1.655 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3ncccc3o2)C1 ZINC000829583289 740458102 /nfs/dbraw/zinc/45/81/02/740458102.db2.gz YNWJRWLHVVXYKS-GFCCVEGCSA-N 1 2 283.331 1.655 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC1(F)F)CO2 ZINC001053839371 740583052 /nfs/dbraw/zinc/58/30/52/740583052.db2.gz CYLCLIMHLAQJLC-NWDGAFQWSA-N 1 2 298.333 1.015 20 30 CDEDLO C(=NNC1CC1)c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872365469 740518835 /nfs/dbraw/zinc/51/88/35/740518835.db2.gz SHPHSARABYAARU-UHFFFAOYSA-N 1 2 289.379 1.484 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C2CC=CC2)C1 ZINC001035316498 740524391 /nfs/dbraw/zinc/52/43/91/740524391.db2.gz KYBRQPJWAPCWOV-CQSZACIVSA-N 1 2 264.369 1.346 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C2CC=CC2)C1 ZINC001035316498 740524405 /nfs/dbraw/zinc/52/44/05/740524405.db2.gz KYBRQPJWAPCWOV-CQSZACIVSA-N 1 2 264.369 1.346 20 30 CDEDLO C=CCN[NH+]=Cc1c(C)nn2c1[nH]c1ccccc1c2=O ZINC000794994363 740664195 /nfs/dbraw/zinc/66/41/95/740664195.db2.gz RBBBKTYPUABABY-UHFFFAOYSA-N 1 2 281.319 1.594 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cccc2c1OCC2 ZINC000884431770 740689452 /nfs/dbraw/zinc/68/94/52/740689452.db2.gz GIAQMJLEGZKXOH-NSHDSACASA-N 1 2 290.319 1.007 20 30 CDEDLO C=CCN1CC[C@H](N(C)C(=O)c2cccc3[nH+]ccn32)C1=O ZINC000798547019 740723178 /nfs/dbraw/zinc/72/31/78/740723178.db2.gz PCPATXVXTZEDJV-LBPRGKRZSA-N 1 2 298.346 1.193 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1(C)CCC(C)(C)CC1 ZINC000884436771 740779797 /nfs/dbraw/zinc/77/97/97/740779797.db2.gz NXHMTBQWQAEOKX-LBPRGKRZSA-N 1 2 296.411 1.908 20 30 CDEDLO COCCN(C)c1ccc(C=[NH+]NCC(F)(F)F)cn1 ZINC000790176029 740826253 /nfs/dbraw/zinc/82/62/53/740826253.db2.gz LHMIGNFHUJUXFX-UHFFFAOYSA-N 1 2 290.289 1.650 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnc3[nH]ccc3c2)C1 ZINC001030482371 740836706 /nfs/dbraw/zinc/83/67/06/740836706.db2.gz SZALGVDKTQGINY-UHFFFAOYSA-N 1 2 270.336 1.505 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(N)=O)cc1C ZINC000930806624 740841282 /nfs/dbraw/zinc/84/12/82/740841282.db2.gz VMRYCNXQTBYYPR-AWEZNQCLSA-N 1 2 285.347 1.130 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(N)=O)cc1C ZINC000930806624 740841283 /nfs/dbraw/zinc/84/12/83/740841283.db2.gz VMRYCNXQTBYYPR-AWEZNQCLSA-N 1 2 285.347 1.130 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc(C)n1 ZINC001017840936 740855827 /nfs/dbraw/zinc/85/58/27/740855827.db2.gz JVDHMSATNWWHLD-BETUJISGSA-N 1 2 289.404 1.764 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc(C)n1 ZINC001017840936 740855828 /nfs/dbraw/zinc/85/58/28/740855828.db2.gz JVDHMSATNWWHLD-BETUJISGSA-N 1 2 289.404 1.764 20 30 CDEDLO C=CCONC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000838707970 740858491 /nfs/dbraw/zinc/85/84/91/740858491.db2.gz UPSRDLDNTSEIPF-NSHDSACASA-N 1 2 250.302 1.347 20 30 CDEDLO C#CC[C@H](NCc1c[nH+]c2c(C)cccn12)C(=O)OC ZINC000839167751 740888180 /nfs/dbraw/zinc/88/81/80/740888180.db2.gz XQXLMVGCYLHCJN-ZDUSSCGKSA-N 1 2 271.320 1.297 20 30 CDEDLO C#C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)C(C)(C)C ZINC000868370319 740897096 /nfs/dbraw/zinc/89/70/96/740897096.db2.gz GFMJACURTOURPG-YBJDMEARSA-N 1 2 264.369 1.039 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C2(C)CC(F)(F)C2)C1 ZINC001031239438 740916669 /nfs/dbraw/zinc/91/66/69/740916669.db2.gz PMWAQJVGFGSADJ-UHFFFAOYSA-N 1 2 256.296 1.246 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2nc(Cl)cs2)C1 ZINC001033938407 741022971 /nfs/dbraw/zinc/02/29/71/741022971.db2.gz WRGAPEUEHZQBNN-JTQLQIEISA-N 1 2 297.811 1.966 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2nc(Cl)cs2)C1 ZINC001033938407 741022973 /nfs/dbraw/zinc/02/29/73/741022973.db2.gz WRGAPEUEHZQBNN-JTQLQIEISA-N 1 2 297.811 1.966 20 30 CDEDLO C#CC[NH+]1CCC(NC(=O)c2cccc3nc(C)[nH]c32)CC1 ZINC000928653337 741044903 /nfs/dbraw/zinc/04/49/03/741044903.db2.gz ILAKHSVXMRDYAR-UHFFFAOYSA-N 1 2 296.374 1.699 20 30 CDEDLO C#CCN(CC[N@@H+]1CCO[C@@H](C)C1)Cc1ccc(F)cc1 ZINC000191464622 741058096 /nfs/dbraw/zinc/05/80/96/741058096.db2.gz SITIILCVDQOYQB-HNNXBMFYSA-N 1 2 290.382 1.982 20 30 CDEDLO C#CCN(CC[N@H+]1CCO[C@@H](C)C1)Cc1ccc(F)cc1 ZINC000191464622 741058098 /nfs/dbraw/zinc/05/80/98/741058098.db2.gz SITIILCVDQOYQB-HNNXBMFYSA-N 1 2 290.382 1.982 20 30 CDEDLO C=C(C)CC[NH+]1CC(N(C)C(=O)c2snnc2CC)C1 ZINC001043257634 741084576 /nfs/dbraw/zinc/08/45/76/741084576.db2.gz HTFPGCSCYSHTSF-UHFFFAOYSA-N 1 2 294.424 1.823 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)C=CCC1 ZINC001032567358 741118771 /nfs/dbraw/zinc/11/87/71/741118771.db2.gz FIHDBOYACRYCHK-OFQRWUPVSA-N 1 2 258.365 1.651 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)C=CCC1 ZINC001032567358 741118774 /nfs/dbraw/zinc/11/87/74/741118774.db2.gz FIHDBOYACRYCHK-OFQRWUPVSA-N 1 2 258.365 1.651 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCN(C)c2ccccc21 ZINC001038356306 741222631 /nfs/dbraw/zinc/22/26/31/741222631.db2.gz IVWQKFFTNZLMSY-GOEBONIOSA-N 1 2 297.402 1.434 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCN(C)c2ccccc21 ZINC001038356306 741222637 /nfs/dbraw/zinc/22/26/37/741222637.db2.gz IVWQKFFTNZLMSY-GOEBONIOSA-N 1 2 297.402 1.434 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1C ZINC001017461818 741112208 /nfs/dbraw/zinc/11/22/08/741112208.db2.gz PWHSLOSFDLAANP-GASCZTMLSA-N 1 2 283.375 1.702 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1C ZINC001017461818 741112221 /nfs/dbraw/zinc/11/22/21/741112221.db2.gz PWHSLOSFDLAANP-GASCZTMLSA-N 1 2 283.375 1.702 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCO1 ZINC001027736116 741379449 /nfs/dbraw/zinc/37/94/49/741379449.db2.gz FSJSYNJKRLAVSE-NWDGAFQWSA-N 1 2 272.776 1.499 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCO1 ZINC001027736116 741379452 /nfs/dbraw/zinc/37/94/52/741379452.db2.gz FSJSYNJKRLAVSE-NWDGAFQWSA-N 1 2 272.776 1.499 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2cc[nH]c2c1 ZINC001038384127 741344874 /nfs/dbraw/zinc/34/48/74/741344874.db2.gz BIHNVLUGSTXSEH-LBPRGKRZSA-N 1 2 268.320 1.000 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2cc[nH]c2c1 ZINC001038384127 741344876 /nfs/dbraw/zinc/34/48/76/741344876.db2.gz BIHNVLUGSTXSEH-LBPRGKRZSA-N 1 2 268.320 1.000 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nc(C)c1 ZINC001032424380 741355517 /nfs/dbraw/zinc/35/55/17/741355517.db2.gz BIYRORGFGPEKKK-HOTGVXAUSA-N 1 2 283.375 1.620 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nc(C)c1 ZINC001032424380 741355519 /nfs/dbraw/zinc/35/55/19/741355519.db2.gz BIYRORGFGPEKKK-HOTGVXAUSA-N 1 2 283.375 1.620 20 30 CDEDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2cc(F)ccc2C#N)C1 ZINC000805477842 741279236 /nfs/dbraw/zinc/27/92/36/741279236.db2.gz AEFFALYNUMSNPH-AWEZNQCLSA-N 1 2 292.310 1.461 20 30 CDEDLO CC[N@H+]1CCO[C@H](C(=O)OCc2cc(F)ccc2C#N)C1 ZINC000805477842 741279239 /nfs/dbraw/zinc/27/92/39/741279239.db2.gz AEFFALYNUMSNPH-AWEZNQCLSA-N 1 2 292.310 1.461 20 30 CDEDLO CC(=O)N1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000157844709 741280917 /nfs/dbraw/zinc/28/09/17/741280917.db2.gz GVJQGUSGWGAUSD-ZDUSSCGKSA-N 1 2 287.363 1.642 20 30 CDEDLO C#Cc1cncc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000798150846 741390962 /nfs/dbraw/zinc/39/09/62/741390962.db2.gz LHCYNGOBEQZMDP-UHFFFAOYSA-N 1 2 292.342 1.420 20 30 CDEDLO CC(C)CN1CC[N@H+](C[C@@H](O)CC2(C#N)CCC2)CC1=O ZINC000886147309 741440672 /nfs/dbraw/zinc/44/06/72/741440672.db2.gz PBBDRYZCFLNTRR-AWEZNQCLSA-N 1 2 293.411 1.231 20 30 CDEDLO CC(C)CN1CC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CC1=O ZINC000886147309 741440674 /nfs/dbraw/zinc/44/06/74/741440674.db2.gz PBBDRYZCFLNTRR-AWEZNQCLSA-N 1 2 293.411 1.231 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CCNc1ncccc1C#N ZINC000872771595 741460385 /nfs/dbraw/zinc/46/03/85/741460385.db2.gz IVOZBYIQDRTOKF-ZDUSSCGKSA-N 1 2 260.341 1.476 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CCNc1ncccc1C#N ZINC000872771595 741460386 /nfs/dbraw/zinc/46/03/86/741460386.db2.gz IVOZBYIQDRTOKF-ZDUSSCGKSA-N 1 2 260.341 1.476 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(CC)n1 ZINC001038352977 741386729 /nfs/dbraw/zinc/38/67/29/741386729.db2.gz QBZHRBHFFWUCHU-CYBMUJFWSA-N 1 2 257.337 1.081 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(CC)n1 ZINC001038352977 741386735 /nfs/dbraw/zinc/38/67/35/741386735.db2.gz QBZHRBHFFWUCHU-CYBMUJFWSA-N 1 2 257.337 1.081 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1[C@H](C)CC[C@H]1CC ZINC000884329610 741744771 /nfs/dbraw/zinc/74/47/71/741744771.db2.gz QVXHVXXMRKAZMS-UTUOFQBUSA-N 1 2 268.357 1.223 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(CC)ccn2)C1 ZINC001030361026 741671334 /nfs/dbraw/zinc/67/13/34/741671334.db2.gz CBXIQPIAOKOBPO-UHFFFAOYSA-N 1 2 257.337 1.081 20 30 CDEDLO Cc1cc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@H](C)C#N)no1 ZINC000960493489 741674780 /nfs/dbraw/zinc/67/47/80/741674780.db2.gz KSOCBPWNOGBIPG-BXUZGUMPSA-N 1 2 290.367 1.566 20 30 CDEDLO Cc1cc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@H](C)C#N)no1 ZINC000960493489 741674781 /nfs/dbraw/zinc/67/47/81/741674781.db2.gz KSOCBPWNOGBIPG-BXUZGUMPSA-N 1 2 290.367 1.566 20 30 CDEDLO C#CCn1ccnc1C=NNc1cc[nH+]c2ccccc12 ZINC000807970233 741686116 /nfs/dbraw/zinc/68/61/16/741686116.db2.gz YIBXFPKPZNXHMG-UHFFFAOYSA-N 1 2 275.315 1.932 20 30 CDEDLO C#CCO[C@H](C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882871235 741745581 /nfs/dbraw/zinc/74/55/81/741745581.db2.gz BSFUVTGJVMUEAS-ZBFHGGJFSA-N 1 2 297.358 1.779 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccncc2)on1 ZINC001038643971 741693527 /nfs/dbraw/zinc/69/35/27/741693527.db2.gz OFIGQIHYCKDSDO-CYBMUJFWSA-N 1 2 298.346 1.727 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccncc2)on1 ZINC001038643971 741693542 /nfs/dbraw/zinc/69/35/42/741693542.db2.gz OFIGQIHYCKDSDO-CYBMUJFWSA-N 1 2 298.346 1.727 20 30 CDEDLO C#CCCCCCC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000790131158 741809899 /nfs/dbraw/zinc/80/98/99/741809899.db2.gz FEQQVEQGKPCHCY-OAHLLOKOSA-N 1 2 280.412 1.749 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(CCC)c1 ZINC001038759345 741833945 /nfs/dbraw/zinc/83/39/45/741833945.db2.gz YOKGKLSCUNZBKR-CQSZACIVSA-N 1 2 274.368 1.121 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(CCC)c1 ZINC001038759345 741833947 /nfs/dbraw/zinc/83/39/47/741833947.db2.gz YOKGKLSCUNZBKR-CQSZACIVSA-N 1 2 274.368 1.121 20 30 CDEDLO Cc1cc([C@H](C)[NH2+]Cc2ccc(C#N)cn2)nn1C ZINC000800490285 741816240 /nfs/dbraw/zinc/81/62/40/741816240.db2.gz JLEJYBAHXSXUOE-NSHDSACASA-N 1 2 255.325 1.846 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2c(C)noc2CC)C1 ZINC001009495258 741820553 /nfs/dbraw/zinc/82/05/53/741820553.db2.gz JFPZACNNNDNENJ-LBPRGKRZSA-N 1 2 275.352 1.373 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2c(C)noc2CC)C1 ZINC001009495258 741820554 /nfs/dbraw/zinc/82/05/54/741820554.db2.gz JFPZACNNNDNENJ-LBPRGKRZSA-N 1 2 275.352 1.373 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2Cc3ccccc3O2)C1 ZINC001030359032 741877828 /nfs/dbraw/zinc/87/78/28/741877828.db2.gz MLXIUPQSWXXSDP-HNNXBMFYSA-N 1 2 286.375 1.757 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(C)C)n[nH]1 ZINC001032642306 741844809 /nfs/dbraw/zinc/84/48/09/741844809.db2.gz IAOKPERDZYWWCC-STQMWFEESA-N 1 2 286.379 1.455 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(C)C)n[nH]1 ZINC001032642306 741844810 /nfs/dbraw/zinc/84/48/10/741844810.db2.gz IAOKPERDZYWWCC-STQMWFEESA-N 1 2 286.379 1.455 20 30 CDEDLO C=CCn1cccc1C(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001030446451 741847027 /nfs/dbraw/zinc/84/70/27/741847027.db2.gz HAFRMLLJDSBWJE-UHFFFAOYSA-N 1 2 299.378 1.022 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCCN2C(=O)CCC)C1 ZINC001031428517 741899921 /nfs/dbraw/zinc/89/99/21/741899921.db2.gz LPNSDNGDZIBQGN-AWEZNQCLSA-N 1 2 293.411 1.154 20 30 CDEDLO CC(C)ON=C(N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181850190 741905887 /nfs/dbraw/zinc/90/58/87/741905887.db2.gz KLHLWBYIMZXCPF-CQSZACIVSA-N 1 2 277.368 1.585 20 30 CDEDLO CC(C)ON=C(N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181850190 741905899 /nfs/dbraw/zinc/90/58/99/741905899.db2.gz KLHLWBYIMZXCPF-CQSZACIVSA-N 1 2 277.368 1.585 20 30 CDEDLO N#Cc1sc(N2CC(n3cc[nH+]c3)C2)nc1Cl ZINC000707098895 741935493 /nfs/dbraw/zinc/93/54/93/741935493.db2.gz AENCMNSQHZXZPH-UHFFFAOYSA-N 1 2 265.729 1.926 20 30 CDEDLO C#CCSCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000847514868 742027924 /nfs/dbraw/zinc/02/79/24/742027924.db2.gz JWHAMTHDSQDHAY-UHFFFAOYSA-N 1 2 273.361 1.739 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2c(F)ccc(OC)c2F)C1 ZINC001031287145 742070604 /nfs/dbraw/zinc/07/06/04/742070604.db2.gz DSVQSRVQSBAXDI-UHFFFAOYSA-N 1 2 296.317 1.964 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cn(C)cn2)C1 ZINC001034167826 742073130 /nfs/dbraw/zinc/07/31/30/742073130.db2.gz FKZIBMGBVUEDLQ-LBPRGKRZSA-N 1 2 296.802 1.757 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cn(C)cn2)C1 ZINC001034167826 742073136 /nfs/dbraw/zinc/07/31/36/742073136.db2.gz FKZIBMGBVUEDLQ-LBPRGKRZSA-N 1 2 296.802 1.757 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccncc3)C[C@H]21 ZINC001074144835 742073869 /nfs/dbraw/zinc/07/38/69/742073869.db2.gz WAIREEDZMOUEFH-HZPDHXFCSA-N 1 2 299.374 1.020 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccncc3)C[C@H]21 ZINC001074144835 742073874 /nfs/dbraw/zinc/07/38/74/742073874.db2.gz WAIREEDZMOUEFH-HZPDHXFCSA-N 1 2 299.374 1.020 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C)s2)C1 ZINC001035264325 741990342 /nfs/dbraw/zinc/99/03/42/741990342.db2.gz FXHLYYXQHUXPJW-CYBMUJFWSA-N 1 2 292.404 1.510 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccc(C)s2)C1 ZINC001035264325 741990352 /nfs/dbraw/zinc/99/03/52/741990352.db2.gz FXHLYYXQHUXPJW-CYBMUJFWSA-N 1 2 292.404 1.510 20 30 CDEDLO C#CC[NH2+][C@H]1CN(C(=O)C(F)C(F)(F)F)CC1(C)C ZINC000995850797 742219624 /nfs/dbraw/zinc/21/96/24/742219624.db2.gz VLBAHGKZCROULP-DTWKUNHWSA-N 1 2 280.265 1.347 20 30 CDEDLO C#CC[NH2+][C@H]1CN(C(=O)[C@@H](F)C(F)(F)F)CC1(C)C ZINC000995850797 742219646 /nfs/dbraw/zinc/21/96/46/742219646.db2.gz VLBAHGKZCROULP-DTWKUNHWSA-N 1 2 280.265 1.347 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C)[C@H]1C ZINC000884116138 742243702 /nfs/dbraw/zinc/24/37/02/742243702.db2.gz MXCMNBROJFFDNQ-TUAOUCFPSA-N 1 2 268.357 1.080 20 30 CDEDLO C=C(C)C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C(=O)OCC ZINC000881753900 742257105 /nfs/dbraw/zinc/25/71/05/742257105.db2.gz AZMRSWQPPVNLEQ-GFCCVEGCSA-N 1 2 279.340 1.356 20 30 CDEDLO C=C(C)C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C(=O)OCC ZINC000881753900 742257111 /nfs/dbraw/zinc/25/71/11/742257111.db2.gz AZMRSWQPPVNLEQ-GFCCVEGCSA-N 1 2 279.340 1.356 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1scnc1C ZINC001038071393 742360898 /nfs/dbraw/zinc/36/08/98/742360898.db2.gz YTWKIDPAEXGFDV-LLVKDONJSA-N 1 2 265.382 1.832 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1scnc1C ZINC001038071393 742360901 /nfs/dbraw/zinc/36/09/01/742360901.db2.gz YTWKIDPAEXGFDV-LLVKDONJSA-N 1 2 265.382 1.832 20 30 CDEDLO O=C(C#CC1CC1)N1CC[C@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001018827554 742443342 /nfs/dbraw/zinc/44/33/42/742443342.db2.gz VLUSZWHZWXUVHT-AWEZNQCLSA-N 1 2 299.374 1.656 20 30 CDEDLO C=C(C)CC[NH+]1CC(N(C)C(=O)c2cncs2)C1 ZINC001042512610 742427661 /nfs/dbraw/zinc/42/76/61/742427661.db2.gz XSBOEUFVOKUQDT-UHFFFAOYSA-N 1 2 265.382 1.866 20 30 CDEDLO Cn1c(N)nc(Cl)c1C=[NH+]OC1CCOCC1 ZINC000814906003 739303752 /nfs/dbraw/zinc/30/37/52/739303752.db2.gz BWKHGTMPZPUUDI-UHFFFAOYSA-N 1 2 258.709 1.185 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@](C)(CC)C1CC1 ZINC000884453193 739308843 /nfs/dbraw/zinc/30/88/43/739308843.db2.gz INCCHJGIHFIJCH-FZMZJTMJSA-N 1 2 268.357 1.128 20 30 CDEDLO Cc1ccc(N[C@@H](C)C[NH+]2CCOCC2)c(C#N)n1 ZINC000881809382 739316841 /nfs/dbraw/zinc/31/68/41/739316841.db2.gz YRORSTARHOQXRJ-LBPRGKRZSA-N 1 2 260.341 1.394 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001035293418 739352672 /nfs/dbraw/zinc/35/26/72/739352672.db2.gz OLYBLHSRYVZQHH-UONOGXRCSA-N 1 2 264.369 1.346 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001035293418 739352678 /nfs/dbraw/zinc/35/26/78/739352678.db2.gz OLYBLHSRYVZQHH-UONOGXRCSA-N 1 2 264.369 1.346 20 30 CDEDLO C=C(C)CN(CC)C(=O)CO[NH+]=C(N)c1ccccc1 ZINC000078460012 739353079 /nfs/dbraw/zinc/35/30/79/739353079.db2.gz GOVGUTATVUHDOH-UHFFFAOYSA-N 1 2 275.352 1.748 20 30 CDEDLO C=CCCOCC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874897199 739363348 /nfs/dbraw/zinc/36/33/48/739363348.db2.gz YCXTWQJZCWALCL-HNNXBMFYSA-N 1 2 292.354 1.891 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc3nccnc32)C1 ZINC001031140797 739366779 /nfs/dbraw/zinc/36/67/79/739366779.db2.gz LHQQWUQTLWIJQB-UHFFFAOYSA-N 1 2 282.347 1.620 20 30 CDEDLO CC(C)[C@@H](C(=O)OCC(=O)c1ccc(C#N)cc1)[NH+](C)C ZINC000803492447 739500396 /nfs/dbraw/zinc/50/03/96/739500396.db2.gz DOHWQCODGIGRCC-HNNXBMFYSA-N 1 2 288.347 1.870 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)o1 ZINC001018095323 739565549 /nfs/dbraw/zinc/56/55/49/739565549.db2.gz INDLYVFUHOJJPL-TXEJJXNPSA-N 1 2 276.336 1.763 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)o1 ZINC001018095323 739565558 /nfs/dbraw/zinc/56/55/58/739565558.db2.gz INDLYVFUHOJJPL-TXEJJXNPSA-N 1 2 276.336 1.763 20 30 CDEDLO C#CCOCC[NH+]1CCN(c2c(F)cccc2F)CC1 ZINC000852204594 739825340 /nfs/dbraw/zinc/82/53/40/739825340.db2.gz PNMRYWQHXABLPQ-UHFFFAOYSA-N 1 2 280.318 1.737 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H]1CCC=CO1 ZINC000191055942 739909651 /nfs/dbraw/zinc/90/96/51/739909651.db2.gz PHTJRAYHNCXSIV-HNNXBMFYSA-N 1 2 279.384 1.227 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001038280367 739915230 /nfs/dbraw/zinc/91/52/30/739915230.db2.gz LPBRKRDAXMASIH-STQMWFEESA-N 1 2 286.379 1.218 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001038280367 739915237 /nfs/dbraw/zinc/91/52/37/739915237.db2.gz LPBRKRDAXMASIH-STQMWFEESA-N 1 2 286.379 1.218 20 30 CDEDLO Cc1ccc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c(C#N)n1 ZINC000882599447 739922783 /nfs/dbraw/zinc/92/27/83/739922783.db2.gz XDWFECOYRKKLJK-QWHCGFSZSA-N 1 2 274.368 1.783 20 30 CDEDLO Cc1ccc(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c(C#N)n1 ZINC000882599447 739922802 /nfs/dbraw/zinc/92/28/02/739922802.db2.gz XDWFECOYRKKLJK-QWHCGFSZSA-N 1 2 274.368 1.783 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1sc(C)cc1OC ZINC001038771034 740020214 /nfs/dbraw/zinc/02/02/14/740020214.db2.gz YPOSXLIQSXUCRJ-LBPRGKRZSA-N 1 2 292.404 1.893 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1sc(C)cc1OC ZINC001038771034 740020219 /nfs/dbraw/zinc/02/02/19/740020219.db2.gz YPOSXLIQSXUCRJ-LBPRGKRZSA-N 1 2 292.404 1.893 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2nnc3ccccc3n2)C1 ZINC001043357482 740030510 /nfs/dbraw/zinc/03/05/10/740030510.db2.gz MBXMXNSUNZWABG-UHFFFAOYSA-N 1 2 297.362 1.357 20 30 CDEDLO C#C[C@H]([NH2+][C@@H](C)c1cc(OC)no1)[C@@H]1CCCO1 ZINC000926211470 740047477 /nfs/dbraw/zinc/04/74/77/740047477.db2.gz USWPEGZZTNLHOC-DCAQKATOSA-N 1 2 250.298 1.515 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C(C)C ZINC001018120529 740200550 /nfs/dbraw/zinc/20/05/50/740200550.db2.gz VDRJHNGDIMYHJU-LJISPDSOSA-N 1 2 260.381 1.587 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C(C)C ZINC001018120529 740200551 /nfs/dbraw/zinc/20/05/51/740200551.db2.gz VDRJHNGDIMYHJU-LJISPDSOSA-N 1 2 260.381 1.587 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1nc2c(s1)CCC2 ZINC001038518633 740208339 /nfs/dbraw/zinc/20/83/39/740208339.db2.gz IMNAPOXIIBDNGI-JTQLQIEISA-N 1 2 277.393 1.622 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1nc2c(s1)CCC2 ZINC001038518633 740208343 /nfs/dbraw/zinc/20/83/43/740208343.db2.gz IMNAPOXIIBDNGI-JTQLQIEISA-N 1 2 277.393 1.622 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccnc1 ZINC001050787261 740259794 /nfs/dbraw/zinc/25/97/94/740259794.db2.gz LJGDXFUYHUOAFC-OAHLLOKOSA-N 1 2 289.379 1.478 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cccnc1 ZINC001050787261 740259798 /nfs/dbraw/zinc/25/97/98/740259798.db2.gz LJGDXFUYHUOAFC-OAHLLOKOSA-N 1 2 289.379 1.478 20 30 CDEDLO N#Cc1cc(C(=O)NC2C[NH+](Cc3ccccc3)C2)c[nH]1 ZINC001030235629 740302283 /nfs/dbraw/zinc/30/22/83/740302283.db2.gz DQZHZNOJFSEAGT-UHFFFAOYSA-N 1 2 280.331 1.501 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@]23CCOC3)C1 ZINC001044153774 740353622 /nfs/dbraw/zinc/35/36/22/740353622.db2.gz LAEFXVAQRFWTQO-ZFWWWQNUSA-N 1 2 264.369 1.132 20 30 CDEDLO CC1(C)C[C@]1(C#N)NC(=O)c1cccc2[nH+]ccn21 ZINC000813304159 740372869 /nfs/dbraw/zinc/37/28/69/740372869.db2.gz XOXSCUCYLKKBEY-CQSZACIVSA-N 1 2 254.293 1.756 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cn(CC)nc2C)C1 ZINC001031027659 740385470 /nfs/dbraw/zinc/38/54/70/740385470.db2.gz OVYUXYPBZICSJJ-UHFFFAOYSA-N 1 2 262.357 1.202 20 30 CDEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](CCn3cccn3)C2)C1 ZINC001043794027 740391602 /nfs/dbraw/zinc/39/16/02/740391602.db2.gz DUQHBENBTFTCIP-UHFFFAOYSA-N 1 2 288.395 1.382 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2CC[C@@H](C(F)(F)F)O2)C1 ZINC001030712501 740428014 /nfs/dbraw/zinc/42/80/14/740428014.db2.gz SAAXZCQXGFLMCI-MNOVXSKESA-N 1 2 292.301 1.473 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)CCCC(=O)C(C)(C)C)C1 ZINC000923558425 740471274 /nfs/dbraw/zinc/47/12/74/740471274.db2.gz ZSBOTLDNFCCVFX-AWEZNQCLSA-N 1 2 292.423 1.986 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)CCCC(=O)C(C)(C)C)C1 ZINC000923558425 740471278 /nfs/dbraw/zinc/47/12/78/740471278.db2.gz ZSBOTLDNFCCVFX-AWEZNQCLSA-N 1 2 292.423 1.986 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)CCOC2)C1 ZINC001033543344 740552761 /nfs/dbraw/zinc/55/27/61/740552761.db2.gz KJXVSPXTENEPJZ-JSGCOSHPSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)CCOC2)C1 ZINC001033543344 740552767 /nfs/dbraw/zinc/55/27/67/740552767.db2.gz KJXVSPXTENEPJZ-JSGCOSHPSA-N 1 2 286.803 1.698 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H]1CC ZINC001017757274 740611257 /nfs/dbraw/zinc/61/12/57/740611257.db2.gz WWLLFENIYOJAHX-QXSJWSMHSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H]1CC ZINC001017757274 740611265 /nfs/dbraw/zinc/61/12/65/740611265.db2.gz WWLLFENIYOJAHX-QXSJWSMHSA-N 1 2 290.407 1.500 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cn(C)cn2)C1 ZINC001034167825 740694410 /nfs/dbraw/zinc/69/44/10/740694410.db2.gz FKZIBMGBVUEDLQ-GFCCVEGCSA-N 1 2 296.802 1.757 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cn(C)cn2)C1 ZINC001034167825 740694414 /nfs/dbraw/zinc/69/44/14/740694414.db2.gz FKZIBMGBVUEDLQ-GFCCVEGCSA-N 1 2 296.802 1.757 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1c(C)noc1C ZINC000072513695 740700312 /nfs/dbraw/zinc/70/03/12/740700312.db2.gz VKATVDDLZOXLNE-JTQLQIEISA-N 1 2 294.355 1.124 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1c(C)noc1C ZINC000072513695 740700316 /nfs/dbraw/zinc/70/03/16/740700316.db2.gz VKATVDDLZOXLNE-JTQLQIEISA-N 1 2 294.355 1.124 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC001038652732 740777515 /nfs/dbraw/zinc/77/75/15/740777515.db2.gz WRAIKGPMRHOHBO-OAHLLOKOSA-N 1 2 281.359 1.995 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC001038652732 740777508 /nfs/dbraw/zinc/77/75/08/740777508.db2.gz WRAIKGPMRHOHBO-OAHLLOKOSA-N 1 2 281.359 1.995 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccoc3)C[C@@H]21 ZINC001074170984 740783763 /nfs/dbraw/zinc/78/37/63/740783763.db2.gz RPIUVEBJVRYBKQ-LSDHHAIUSA-N 1 2 288.347 1.218 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccoc3)C[C@@H]21 ZINC001074170984 740783766 /nfs/dbraw/zinc/78/37/66/740783766.db2.gz RPIUVEBJVRYBKQ-LSDHHAIUSA-N 1 2 288.347 1.218 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2CC[C@@H](C)O2)C1 ZINC001043745196 740856839 /nfs/dbraw/zinc/85/68/39/740856839.db2.gz QECWCLNUZRZLNR-YPMHNXCESA-N 1 2 252.358 1.273 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C)[C@H]1CCC ZINC000884160995 740867071 /nfs/dbraw/zinc/86/70/71/740867071.db2.gz TZRHZFDROZXEAC-MELADBBJSA-N 1 2 296.411 1.860 20 30 CDEDLO CC1(C)C[C@@]1(C#N)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000936053551 740895372 /nfs/dbraw/zinc/89/53/72/740895372.db2.gz MCKINEOSWZMQOF-AWEZNQCLSA-N 1 2 254.293 1.985 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cncnc1 ZINC001027838418 740961917 /nfs/dbraw/zinc/96/19/17/740961917.db2.gz BKUBNABRFPBYPE-LBPRGKRZSA-N 1 2 280.759 1.423 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cncnc1 ZINC001027838418 740961924 /nfs/dbraw/zinc/96/19/24/740961924.db2.gz BKUBNABRFPBYPE-LBPRGKRZSA-N 1 2 280.759 1.423 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1oc(CC2CC2)nc1C ZINC001038262436 741076383 /nfs/dbraw/zinc/07/63/83/741076383.db2.gz NEKFQXKARYFGDU-ZDUSSCGKSA-N 1 2 289.379 1.926 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1oc(CC2CC2)nc1C ZINC001038262436 741076391 /nfs/dbraw/zinc/07/63/91/741076391.db2.gz NEKFQXKARYFGDU-ZDUSSCGKSA-N 1 2 289.379 1.926 20 30 CDEDLO Cc1conc1C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC000971211667 741202103 /nfs/dbraw/zinc/20/21/03/741202103.db2.gz UWMITVSLNXWCBO-PWSUYJOCSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1conc1C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC000971211667 741202111 /nfs/dbraw/zinc/20/21/11/741202111.db2.gz UWMITVSLNXWCBO-PWSUYJOCSA-N 1 2 276.340 1.175 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c1O[C@@H](C)C2 ZINC001032526363 741232737 /nfs/dbraw/zinc/23/27/37/741232737.db2.gz VBWINPXOGSRNFY-QEJZJMRPSA-N 1 2 296.370 1.542 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c1O[C@@H](C)C2 ZINC001032526363 741232752 /nfs/dbraw/zinc/23/27/52/741232752.db2.gz VBWINPXOGSRNFY-QEJZJMRPSA-N 1 2 296.370 1.542 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2c(C)cccc2C)C1 ZINC001035526934 741236718 /nfs/dbraw/zinc/23/67/18/741236718.db2.gz LCJCEBGMFCHLOJ-HNNXBMFYSA-N 1 2 288.391 1.920 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2c(C)cccc2C)C1 ZINC001035526934 741236729 /nfs/dbraw/zinc/23/67/29/741236729.db2.gz LCJCEBGMFCHLOJ-HNNXBMFYSA-N 1 2 288.391 1.920 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cncnc2)CC1 ZINC001000610179 741300382 /nfs/dbraw/zinc/30/03/82/741300382.db2.gz XFZYGWCQUSYXFI-UHFFFAOYSA-N 1 2 292.770 1.591 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cncnc2)CC1 ZINC001000610179 741300387 /nfs/dbraw/zinc/30/03/87/741300387.db2.gz XFZYGWCQUSYXFI-UHFFFAOYSA-N 1 2 292.770 1.591 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001030394429 741305137 /nfs/dbraw/zinc/30/51/37/741305137.db2.gz FGSCBRPFQPPFIN-LBPRGKRZSA-N 1 2 293.411 1.010 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)C2(c3ccccn3)CC2)C1 ZINC001042718587 741346101 /nfs/dbraw/zinc/34/61/01/741346101.db2.gz GNJZUOZVDYGTTF-UHFFFAOYSA-N 1 2 283.375 1.279 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2c(cccc2C)O1 ZINC001038921590 741361114 /nfs/dbraw/zinc/36/11/14/741361114.db2.gz SUEOKAXBLQZBCR-BBRMVZONSA-N 1 2 284.359 1.122 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2c(cccc2C)O1 ZINC001038921590 741361117 /nfs/dbraw/zinc/36/11/17/741361117.db2.gz SUEOKAXBLQZBCR-BBRMVZONSA-N 1 2 284.359 1.122 20 30 CDEDLO COc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)c(C)c1 ZINC000819431611 741401732 /nfs/dbraw/zinc/40/17/32/741401732.db2.gz WUEPHCWCWCJDMW-ZDUSSCGKSA-N 1 2 277.368 1.622 20 30 CDEDLO COc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)c(C)c1 ZINC000819431611 741401733 /nfs/dbraw/zinc/40/17/33/741401733.db2.gz WUEPHCWCWCJDMW-ZDUSSCGKSA-N 1 2 277.368 1.622 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cncs1)CO2 ZINC001053750052 741441292 /nfs/dbraw/zinc/44/12/92/741441292.db2.gz FGTDMISDJWIHJI-NSHDSACASA-N 1 2 293.392 1.292 20 30 CDEDLO C[C@H](O)C[C@H]1CCC[N@@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794636971 741441348 /nfs/dbraw/zinc/44/13/48/741441348.db2.gz ROBOXZFISOAEJY-WDEREUQCSA-N 1 2 295.412 1.210 20 30 CDEDLO C[C@H](O)C[C@H]1CCC[N@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794636971 741441350 /nfs/dbraw/zinc/44/13/50/741441350.db2.gz ROBOXZFISOAEJY-WDEREUQCSA-N 1 2 295.412 1.210 20 30 CDEDLO CCON=Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872340136 741515333 /nfs/dbraw/zinc/51/53/33/741515333.db2.gz NNSUEHPBYDQADZ-UHFFFAOYSA-N 1 2 278.352 1.768 20 30 CDEDLO COc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1C#N ZINC000830413439 741533428 /nfs/dbraw/zinc/53/34/28/741533428.db2.gz RCPJZNAMKZTLGI-LLVKDONJSA-N 1 2 296.330 1.964 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001030738831 741567834 /nfs/dbraw/zinc/56/78/34/741567834.db2.gz NSCQVOGVVJYEIB-LBPRGKRZSA-N 1 2 270.323 1.636 20 30 CDEDLO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029302920 741569010 /nfs/dbraw/zinc/56/90/10/741569010.db2.gz XCMXTFHNLOHJPT-BETUJISGSA-N 1 2 250.317 1.045 20 30 CDEDLO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029302920 741569014 /nfs/dbraw/zinc/56/90/14/741569014.db2.gz XCMXTFHNLOHJPT-BETUJISGSA-N 1 2 250.317 1.045 20 30 CDEDLO CC[C@@H](F)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C#N)[nH]1 ZINC001032361841 741595921 /nfs/dbraw/zinc/59/59/21/741595921.db2.gz DVMLTESWTVOJOB-WXHSDQCUSA-N 1 2 290.342 1.533 20 30 CDEDLO CC[C@@H](F)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C#N)[nH]1 ZINC001032361841 741595929 /nfs/dbraw/zinc/59/59/29/741595929.db2.gz DVMLTESWTVOJOB-WXHSDQCUSA-N 1 2 290.342 1.533 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2csc(C(C)C)n2)C1 ZINC001031108422 741643745 /nfs/dbraw/zinc/64/37/45/741643745.db2.gz JOISWTBEAFCTLO-UHFFFAOYSA-N 1 2 277.393 1.704 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCN(C)[C@@H](CO)C1 ZINC000931402971 741697233 /nfs/dbraw/zinc/69/72/33/741697233.db2.gz YRXXLOORBNWEKE-SWLSCSKDSA-N 1 2 259.353 1.228 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCN(C)[C@@H](CO)C1 ZINC000931402971 741697237 /nfs/dbraw/zinc/69/72/37/741697237.db2.gz YRXXLOORBNWEKE-SWLSCSKDSA-N 1 2 259.353 1.228 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ncoc2C)C1 ZINC001046176181 741726718 /nfs/dbraw/zinc/72/67/18/741726718.db2.gz XKYDQNLYVWJPQB-CYBMUJFWSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ncoc2C)C1 ZINC001046176181 741726723 /nfs/dbraw/zinc/72/67/23/741726723.db2.gz XKYDQNLYVWJPQB-CYBMUJFWSA-N 1 2 283.759 1.930 20 30 CDEDLO C=CC[N@H+](C)[C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001027420074 741783558 /nfs/dbraw/zinc/78/35/58/741783558.db2.gz QGDWSEWXWLUOFA-UWVGGRQHSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001027420074 741783561 /nfs/dbraw/zinc/78/35/61/741783561.db2.gz QGDWSEWXWLUOFA-UWVGGRQHSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001027420074 741783565 /nfs/dbraw/zinc/78/35/65/741783565.db2.gz QGDWSEWXWLUOFA-UWVGGRQHSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001027420074 741783554 /nfs/dbraw/zinc/78/35/54/741783554.db2.gz QGDWSEWXWLUOFA-UWVGGRQHSA-N 1 2 282.281 1.996 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2cccc(OC)c2)C1 ZINC001044257196 741791090 /nfs/dbraw/zinc/79/10/90/741791090.db2.gz FJIYZBHEGIIMPC-UHFFFAOYSA-N 1 2 288.391 1.956 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2[nH]cnc2C)C1 ZINC001046878437 741802498 /nfs/dbraw/zinc/80/24/98/741802498.db2.gz FZIYVTRDDHDHCP-ZDUSSCGKSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2[nH]cnc2C)C1 ZINC001046878437 741802501 /nfs/dbraw/zinc/80/25/01/741802501.db2.gz FZIYVTRDDHDHCP-ZDUSSCGKSA-N 1 2 282.775 1.665 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC12CCCC2 ZINC001018139785 741823469 /nfs/dbraw/zinc/82/34/69/741823469.db2.gz SKBLDSBJHSKBDL-ZNMIVQPWSA-N 1 2 272.392 1.875 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC12CCCC2 ZINC001018139785 741823470 /nfs/dbraw/zinc/82/34/70/741823470.db2.gz SKBLDSBJHSKBDL-ZNMIVQPWSA-N 1 2 272.392 1.875 20 30 CDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cocn2)CC1 ZINC001004394746 741837672 /nfs/dbraw/zinc/83/76/72/741837672.db2.gz INXORKFWFGJFIV-CQSZACIVSA-N 1 2 288.351 1.515 20 30 CDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cocn2)CC1 ZINC001004394746 741837674 /nfs/dbraw/zinc/83/76/74/741837674.db2.gz INXORKFWFGJFIV-CQSZACIVSA-N 1 2 288.351 1.515 20 30 CDEDLO C=CC[N@@H+](C)Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000127157130 741914866 /nfs/dbraw/zinc/91/48/66/741914866.db2.gz BPNQQUFYCNEMLC-UHFFFAOYSA-N 1 2 258.343 1.148 20 30 CDEDLO C=CC[N@H+](C)Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000127157130 741914873 /nfs/dbraw/zinc/91/48/73/741914873.db2.gz BPNQQUFYCNEMLC-UHFFFAOYSA-N 1 2 258.343 1.148 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2cncnc2)C1 ZINC001033042647 741959955 /nfs/dbraw/zinc/95/99/55/741959955.db2.gz ZYVICNLMKLKYGW-ZDUSSCGKSA-N 1 2 294.786 1.304 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2cncnc2)C1 ZINC001033042647 741959959 /nfs/dbraw/zinc/95/99/59/741959959.db2.gz ZYVICNLMKLKYGW-ZDUSSCGKSA-N 1 2 294.786 1.304 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCO[C@@H](C)C2)C1 ZINC001032075230 741970748 /nfs/dbraw/zinc/97/07/48/741970748.db2.gz ITZZFCSCVYAEHD-AAEUAGOBSA-N 1 2 286.803 1.602 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(OC)n1 ZINC000855139707 741973330 /nfs/dbraw/zinc/97/33/30/741973330.db2.gz BARISQGSSTYULK-NSHDSACASA-N 1 2 259.309 1.126 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(OC)n1 ZINC000855139707 741973339 /nfs/dbraw/zinc/97/33/39/741973339.db2.gz BARISQGSSTYULK-NSHDSACASA-N 1 2 259.309 1.126 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1CCCNC1=O ZINC000853685703 741976237 /nfs/dbraw/zinc/97/62/37/741976237.db2.gz NPWVIHZBKRERTH-ZDUSSCGKSA-N 1 2 287.363 1.812 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nn(C)c2ccccc21 ZINC001032741329 742022629 /nfs/dbraw/zinc/02/26/29/742022629.db2.gz ICDMSKUBELZKBV-STQMWFEESA-N 1 2 294.358 1.105 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nn(C)c2ccccc21 ZINC001032741329 742022635 /nfs/dbraw/zinc/02/26/35/742022635.db2.gz ICDMSKUBELZKBV-STQMWFEESA-N 1 2 294.358 1.105 20 30 CDEDLO C#CCCCCC[N@H+]1CCSC[C@H]1C(=O)OC ZINC000887079590 742043288 /nfs/dbraw/zinc/04/32/88/742043288.db2.gz VJLXBIDQXMORKY-LBPRGKRZSA-N 1 2 255.383 1.770 20 30 CDEDLO C#CCCCCC[N@@H+]1CCSC[C@H]1C(=O)OC ZINC000887079590 742043296 /nfs/dbraw/zinc/04/32/96/742043296.db2.gz VJLXBIDQXMORKY-LBPRGKRZSA-N 1 2 255.383 1.770 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c(C)cc(=O)oc2C)C1 ZINC001030645727 742046134 /nfs/dbraw/zinc/04/61/34/742046134.db2.gz XILQSMHFQZRTDV-UHFFFAOYSA-N 1 2 276.336 1.247 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C3CC3)n(C)n2)C1 ZINC001042854642 742063141 /nfs/dbraw/zinc/06/31/41/742063141.db2.gz HWYRURFEHVJIOM-UHFFFAOYSA-N 1 2 286.379 1.077 20 30 CDEDLO C=CC[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000853607346 742093375 /nfs/dbraw/zinc/09/33/75/742093375.db2.gz XSARIQKPYKIVAR-LSDHHAIUSA-N 1 2 295.427 1.705 20 30 CDEDLO C=CC[C@@H]1CCCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000853607346 742093381 /nfs/dbraw/zinc/09/33/81/742093381.db2.gz XSARIQKPYKIVAR-LSDHHAIUSA-N 1 2 295.427 1.705 20 30 CDEDLO C#CCC[N@@H+]1C[C@H]2CN(C(=O)c3cc(C4CC4)[nH]n3)C[C@H]2C1 ZINC001049076065 742096074 /nfs/dbraw/zinc/09/60/74/742096074.db2.gz CTKHKVKVNZHNHI-OKILXGFUSA-N 1 2 298.390 1.314 20 30 CDEDLO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cc(C4CC4)[nH]n3)C[C@H]2C1 ZINC001049076065 742096080 /nfs/dbraw/zinc/09/60/80/742096080.db2.gz CTKHKVKVNZHNHI-OKILXGFUSA-N 1 2 298.390 1.314 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1conc1C1CC1 ZINC001038704643 742148071 /nfs/dbraw/zinc/14/80/71/742148071.db2.gz XTEAMUUZZYBNNS-GFCCVEGCSA-N 1 2 273.336 1.379 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1conc1C1CC1 ZINC001038704643 742148088 /nfs/dbraw/zinc/14/80/88/742148088.db2.gz XTEAMUUZZYBNNS-GFCCVEGCSA-N 1 2 273.336 1.379 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(Cl)c2F)C1 ZINC001030885788 742223999 /nfs/dbraw/zinc/22/39/99/742223999.db2.gz BAISWRBEUDFQEC-UHFFFAOYSA-N 1 2 280.730 1.916 20 30 CDEDLO C#C[C@@H](C)NC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000923218514 742303367 /nfs/dbraw/zinc/30/33/67/742303367.db2.gz SMDWXGBULKFALZ-GFCCVEGCSA-N 1 2 272.352 1.689 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001032991440 742344052 /nfs/dbraw/zinc/34/40/52/742344052.db2.gz KYCAFRXCXGRAEB-LBPRGKRZSA-N 1 2 292.770 1.785 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001032991440 742344059 /nfs/dbraw/zinc/34/40/59/742344059.db2.gz KYCAFRXCXGRAEB-LBPRGKRZSA-N 1 2 292.770 1.785 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cncc2[nH]ccc21 ZINC001038466252 742351274 /nfs/dbraw/zinc/35/12/74/742351274.db2.gz RLGNWQRAACQSGN-NSHDSACASA-N 1 2 268.320 1.000 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cncc2[nH]ccc21 ZINC001038466252 742351279 /nfs/dbraw/zinc/35/12/79/742351279.db2.gz RLGNWQRAACQSGN-NSHDSACASA-N 1 2 268.320 1.000 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cccc(F)c2O)CC1 ZINC000931344938 742392123 /nfs/dbraw/zinc/39/21/23/742392123.db2.gz VOHNCXYHKPDYKO-UHFFFAOYSA-N 1 2 276.311 1.312 20 30 CDEDLO Cn1ncc2c1nc[nH+]c2NCc1ccc(C#N)cn1 ZINC000780172422 742423489 /nfs/dbraw/zinc/42/34/89/742423489.db2.gz ZPVSDJBAAZTWCW-UHFFFAOYSA-N 1 2 265.280 1.242 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cn(C)nc2C2CC2)C1 ZINC001030378786 742432882 /nfs/dbraw/zinc/43/28/82/742432882.db2.gz GISDXNZVWZBHGV-UHFFFAOYSA-N 1 2 274.368 1.288 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C[C@@H]1CCCO1 ZINC001018324506 742463351 /nfs/dbraw/zinc/46/33/51/742463351.db2.gz HLCBBMYXMAXAKK-JONQDZQNSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C[C@@H]1CCCO1 ZINC001018324506 742463367 /nfs/dbraw/zinc/46/33/67/742463367.db2.gz HLCBBMYXMAXAKK-JONQDZQNSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)sn1 ZINC001017511227 742494873 /nfs/dbraw/zinc/49/48/73/742494873.db2.gz BNPUNUBZBATNOW-BETUJISGSA-N 1 2 289.404 1.764 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)sn1 ZINC001017511227 742494891 /nfs/dbraw/zinc/49/48/91/742494891.db2.gz BNPUNUBZBATNOW-BETUJISGSA-N 1 2 289.404 1.764 20 30 CDEDLO CCON=C(N)c1cccc(C[NH+]2CCOCC2)c1 ZINC000129168400 742522499 /nfs/dbraw/zinc/52/24/99/742522499.db2.gz UFGXFJUMQQIUKH-UHFFFAOYSA-N 1 2 263.341 1.176 20 30 CDEDLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000930831772 742538764 /nfs/dbraw/zinc/53/87/64/742538764.db2.gz RJGDGVFXENFLQS-YNEHKIRRSA-N 1 2 287.363 1.686 20 30 CDEDLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000930831772 742538773 /nfs/dbraw/zinc/53/87/73/742538773.db2.gz RJGDGVFXENFLQS-YNEHKIRRSA-N 1 2 287.363 1.686 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C2(C(C)C)CC2)C1 ZINC000885508955 742543465 /nfs/dbraw/zinc/54/34/65/742543465.db2.gz NZWABLDZQOQQIY-ZDUSSCGKSA-N 1 2 284.425 1.192 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C2(C(C)C)CC2)C1 ZINC000885508955 742543487 /nfs/dbraw/zinc/54/34/87/742543487.db2.gz NZWABLDZQOQQIY-ZDUSSCGKSA-N 1 2 284.425 1.192 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCO[C@@H]2C)C1 ZINC001032075629 742572096 /nfs/dbraw/zinc/57/20/96/742572096.db2.gz GWQONISXETZSLU-ZYHUDNBSSA-N 1 2 272.776 1.212 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(F)cccc1F ZINC001038949455 742636342 /nfs/dbraw/zinc/63/63/42/742636342.db2.gz GDGLNERUSGLLCP-JTQLQIEISA-N 1 2 264.275 1.402 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(F)cccc1F ZINC001038949455 742636362 /nfs/dbraw/zinc/63/63/62/742636362.db2.gz GDGLNERUSGLLCP-JTQLQIEISA-N 1 2 264.275 1.402 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCCc3cccnc32)C1 ZINC001043602402 742678920 /nfs/dbraw/zinc/67/89/20/742678920.db2.gz HCTXCRCFUSBRQK-HNNXBMFYSA-N 1 2 285.391 1.830 20 30 CDEDLO C[C@H](c1cccnc1)[NH+]1CCN(CCO[C@@H](C)C#N)CC1 ZINC000801923038 742711123 /nfs/dbraw/zinc/71/11/23/742711123.db2.gz XAOXEMQKYSIRLU-LSDHHAIUSA-N 1 2 288.395 1.689 20 30 CDEDLO Cc1ncoc1C[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038173569 742746308 /nfs/dbraw/zinc/74/63/08/742746308.db2.gz AMWPWWRNJSIFMS-CYBMUJFWSA-N 1 2 299.334 1.187 20 30 CDEDLO Cc1ncoc1C[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038173569 742746339 /nfs/dbraw/zinc/74/63/39/742746339.db2.gz AMWPWWRNJSIFMS-CYBMUJFWSA-N 1 2 299.334 1.187 20 30 CDEDLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000921414783 742788464 /nfs/dbraw/zinc/78/84/64/742788464.db2.gz WYGLYNGDCFKONM-LLVKDONJSA-N 1 2 299.783 1.194 20 30 CDEDLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000921414783 742788471 /nfs/dbraw/zinc/78/84/71/742788471.db2.gz WYGLYNGDCFKONM-LLVKDONJSA-N 1 2 299.783 1.194 20 30 CDEDLO C=C(Br)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000793221606 742803840 /nfs/dbraw/zinc/80/38/40/742803840.db2.gz ZJARKENAKUCDBV-UHFFFAOYSA-N 1 2 258.119 1.367 20 30 CDEDLO C=C(Br)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000793221606 742803838 /nfs/dbraw/zinc/80/38/38/742803838.db2.gz ZJARKENAKUCDBV-UHFFFAOYSA-N 1 2 258.119 1.367 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(Br)c[nH]2)C1 ZINC001030627276 742810615 /nfs/dbraw/zinc/81/06/15/742810615.db2.gz NLZCHPXYSURNEJ-UHFFFAOYSA-N 1 2 298.184 1.767 20 30 CDEDLO C=CCC1(O)CCN(c2cc(NC[C@H](C)O)[nH+]cn2)CC1 ZINC000884723954 742821238 /nfs/dbraw/zinc/82/12/38/742821238.db2.gz DZOOYRYHYCEGNG-LBPRGKRZSA-N 1 2 292.383 1.177 20 30 CDEDLO C=CCC1(O)CCN(c2cc(NC[C@H](C)O)nc[nH+]2)CC1 ZINC000884723954 742821240 /nfs/dbraw/zinc/82/12/40/742821240.db2.gz DZOOYRYHYCEGNG-LBPRGKRZSA-N 1 2 292.383 1.177 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cn(C(C)(C)C)nn2)C1 ZINC001042867022 742827570 /nfs/dbraw/zinc/82/75/70/742827570.db2.gz AZCIKPRXQDYAHM-UHFFFAOYSA-N 1 2 291.399 1.365 20 30 CDEDLO O=C(C#Cc1ccccc1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000854729209 742833302 /nfs/dbraw/zinc/83/33/02/742833302.db2.gz VKEOEUSVNGTTBT-QGZVFWFLSA-N 1 2 298.386 1.361 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccsc1Cl ZINC001038772507 742836920 /nfs/dbraw/zinc/83/69/20/742836920.db2.gz LAACQHNAOJQBGQ-SECBINFHSA-N 1 2 268.769 1.839 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccsc1Cl ZINC001038772507 742836922 /nfs/dbraw/zinc/83/69/22/742836922.db2.gz LAACQHNAOJQBGQ-SECBINFHSA-N 1 2 268.769 1.839 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1csc(C#N)c1 ZINC001647303985 1168540362 /nfs/dbraw/zinc/54/03/62/1168540362.db2.gz KGOYBIKJSWOBIP-MNOVXSKESA-N 1 2 293.392 1.459 20 30 CDEDLO C#CCCCC(=O)N1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC001095227238 912631867 /nfs/dbraw/zinc/63/18/67/912631867.db2.gz DLVKJZCUQAPGJY-UHFFFAOYSA-N 1 2 286.379 1.991 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCOC1)C2 ZINC001095254509 912794077 /nfs/dbraw/zinc/79/40/77/912794077.db2.gz ALSCGHSMNWLCPA-CRWXNKLISA-N 1 2 298.814 1.887 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCOC1)C2 ZINC001095254509 912794082 /nfs/dbraw/zinc/79/40/82/912794082.db2.gz ALSCGHSMNWLCPA-CRWXNKLISA-N 1 2 298.814 1.887 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C1CC1 ZINC001233529380 912852522 /nfs/dbraw/zinc/85/25/22/912852522.db2.gz KVWDZAWNLIYHEO-ZFWWWQNUSA-N 1 2 278.396 1.215 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C1CC1 ZINC001233529380 912852541 /nfs/dbraw/zinc/85/25/41/912852541.db2.gz KVWDZAWNLIYHEO-ZFWWWQNUSA-N 1 2 278.396 1.215 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(=C)Cl)C[C@H]1O ZINC001099944218 912868945 /nfs/dbraw/zinc/86/89/45/912868945.db2.gz JYLNFCQINNSXSL-VXGBXAGGSA-N 1 2 286.803 1.503 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC(=C)Cl)C[C@H]1O ZINC001099944218 912868956 /nfs/dbraw/zinc/86/89/56/912868956.db2.gz JYLNFCQINNSXSL-VXGBXAGGSA-N 1 2 286.803 1.503 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2ncccc2OC)CC1 ZINC001175489714 913628181 /nfs/dbraw/zinc/62/81/81/913628181.db2.gz VVPIWSRNWVZETD-UHFFFAOYSA-N 1 2 289.379 1.353 20 30 CDEDLO N#C[C@H]1CC[N@H+](C[C@H]2COC3(CCCCC3)O2)C1 ZINC001208641073 894203760 /nfs/dbraw/zinc/20/37/60/894203760.db2.gz YDNFNHICTAQWDV-OLZOCXBDSA-N 1 2 250.342 1.908 20 30 CDEDLO N#C[C@H]1CC[N@@H+](C[C@H]2COC3(CCCCC3)O2)C1 ZINC001208641073 894203777 /nfs/dbraw/zinc/20/37/77/894203777.db2.gz YDNFNHICTAQWDV-OLZOCXBDSA-N 1 2 250.342 1.908 20 30 CDEDLO C#CCC[N@H+]1CC[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001266321305 894374147 /nfs/dbraw/zinc/37/41/47/894374147.db2.gz OIEZJKDRGVBWFH-DTWKUNHWSA-N 1 2 266.238 1.101 20 30 CDEDLO C#CCC[N@@H+]1CC[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001266321305 894374163 /nfs/dbraw/zinc/37/41/63/894374163.db2.gz OIEZJKDRGVBWFH-DTWKUNHWSA-N 1 2 266.238 1.101 20 30 CDEDLO C=CCN(CC[N@H+]1CCC(=O)[C@@H](C)CC1)C(=O)OCC ZINC001209017883 894419398 /nfs/dbraw/zinc/41/93/98/894419398.db2.gz YGAAMRMIAVOERR-ZDUSSCGKSA-N 1 2 282.384 1.932 20 30 CDEDLO C=CCN(CC[N@@H+]1CCC(=O)[C@@H](C)CC1)C(=O)OCC ZINC001209017883 894419409 /nfs/dbraw/zinc/41/94/09/894419409.db2.gz YGAAMRMIAVOERR-ZDUSSCGKSA-N 1 2 282.384 1.932 20 30 CDEDLO C#Cc1cc(Nc2ccc(OC)c(CO)c2)cc[nH+]1 ZINC001175979130 913872557 /nfs/dbraw/zinc/87/25/57/913872557.db2.gz BYEXUGATKNGGQZ-UHFFFAOYSA-N 1 2 254.289 1.729 20 30 CDEDLO C[C@@H]1C[NH+](C2CN(Cc3cc(C#N)n(C)c3)C2)C[C@@H](C)O1 ZINC001207109221 895582759 /nfs/dbraw/zinc/58/27/59/895582759.db2.gz VGYBXMGBZKWXCN-CHWSQXEVSA-N 1 2 288.395 1.190 20 30 CDEDLO C=CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)N[C@@H](C)CC)C1 ZINC001267623118 899054676 /nfs/dbraw/zinc/05/46/76/899054676.db2.gz CCKYRJOCAVCFNA-KBPBESRZSA-N 1 2 295.427 1.448 20 30 CDEDLO C=CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)N[C@@H](C)CC)C1 ZINC001267623118 899054691 /nfs/dbraw/zinc/05/46/91/899054691.db2.gz CCKYRJOCAVCFNA-KBPBESRZSA-N 1 2 295.427 1.448 20 30 CDEDLO CO[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1NC(=O)C#CC(C)C ZINC001212241575 914777128 /nfs/dbraw/zinc/77/71/28/914777128.db2.gz SWSIAJNAASEQBG-SXQWRXASSA-N 1 2 284.787 1.214 20 30 CDEDLO CO[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1NC(=O)C#CC(C)C ZINC001212241575 914777135 /nfs/dbraw/zinc/77/71/35/914777135.db2.gz SWSIAJNAASEQBG-SXQWRXASSA-N 1 2 284.787 1.214 20 30 CDEDLO C#CCCCC(=O)NCc1cnn2c1C[N@H+](C(C)C)CC2 ZINC001128327793 921269561 /nfs/dbraw/zinc/26/95/61/921269561.db2.gz UYYFRPGRSGGLRA-UHFFFAOYSA-N 1 2 288.395 1.527 20 30 CDEDLO C#CCCCC(=O)NCc1cnn2c1C[N@@H+](C(C)C)CC2 ZINC001128327793 921269562 /nfs/dbraw/zinc/26/95/62/921269562.db2.gz UYYFRPGRSGGLRA-UHFFFAOYSA-N 1 2 288.395 1.527 20 30 CDEDLO Cc1nc(NC[C@H]2CCC[C@@H]2NC(=O)C#CC2CC2)cc[nH+]1 ZINC001105659417 909225538 /nfs/dbraw/zinc/22/55/38/909225538.db2.gz SHZBVFHWVNMBSJ-CABCVRRESA-N 1 2 298.390 1.895 20 30 CDEDLO CC(C)c1nnc(C[NH2+]CCNC(=O)C#CC(C)(C)C)o1 ZINC001126893428 909590643 /nfs/dbraw/zinc/59/06/43/909590643.db2.gz NDLVPSUGUJRGKF-UHFFFAOYSA-N 1 2 292.383 1.448 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@H]3C[C@@H]3C)CC2)C1 ZINC001093567895 909965635 /nfs/dbraw/zinc/96/56/35/909965635.db2.gz ABYOBJJVVKOXGR-UONOGXRCSA-N 1 2 292.423 1.910 20 30 CDEDLO C=C[C@@H]1C[C@]1([NH2+]C1C[C@H]2CC[C@@H](C1)O2)C(=O)OCC ZINC001172224523 911458264 /nfs/dbraw/zinc/45/82/64/911458264.db2.gz RKBMRIPOMNEFPX-ZWOWXGAWSA-N 1 2 265.353 1.794 20 30 CDEDLO C[C@H](Cc1ccc(C#N)cc1)N1CC(N2CC[NH+](C)CC2)C1 ZINC001172311337 911555158 /nfs/dbraw/zinc/55/51/58/911555158.db2.gz BSIIVMHYIMAKLQ-OAHLLOKOSA-N 1 2 298.434 1.421 20 30 CDEDLO COC(=O)[C@@H]1CC[N@H+]([C@H](C)CCCC#N)[C@H](C(=O)OC)C1 ZINC001172504684 911737091 /nfs/dbraw/zinc/73/70/91/911737091.db2.gz IDKFYMWKRTUGAT-UPJWGTAASA-N 1 2 296.367 1.495 20 30 CDEDLO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)CCCC#N)[C@H](C(=O)OC)C1 ZINC001172504684 911737097 /nfs/dbraw/zinc/73/70/97/911737097.db2.gz IDKFYMWKRTUGAT-UPJWGTAASA-N 1 2 296.367 1.495 20 30 CDEDLO C[C@H](C(=O)Nc1n[nH]c2cccc(C#N)c21)n1cc[nH+]c1 ZINC001177922673 915036504 /nfs/dbraw/zinc/03/65/04/915036504.db2.gz ZMRHBZMUZSPYQL-SECBINFHSA-N 1 2 280.291 1.831 20 30 CDEDLO Cc1nc(N[C@H](C)CNC(=O)C#CC2CC2)cc[nH+]1 ZINC001097803064 936383258 /nfs/dbraw/zinc/38/32/58/936383258.db2.gz GCKIQDYIIQOWDT-SNVBAGLBSA-N 1 2 258.325 1.115 20 30 CDEDLO C[C@H](NC(=O)Cc1cc[nH+]c(N)c1)c1cccc(C#N)c1 ZINC001181265019 916949555 /nfs/dbraw/zinc/94/95/55/916949555.db2.gz NPAIKVHNRUYHIP-NSHDSACASA-N 1 2 280.331 1.955 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CC2CC2)C1 ZINC001485487208 917012763 /nfs/dbraw/zinc/01/27/63/917012763.db2.gz WLSYNVKLSNVJNC-SNVBAGLBSA-N 1 2 256.777 1.976 20 30 CDEDLO COc1ccc(C[N@@H+](C)CC(OC)OC)c(C#N)c1 ZINC001137704622 936392579 /nfs/dbraw/zinc/39/25/79/936392579.db2.gz NWZKJLDXQHIYSS-UHFFFAOYSA-N 1 2 264.325 1.618 20 30 CDEDLO COc1ccc(C[N@H+](C)CC(OC)OC)c(C#N)c1 ZINC001137704622 936392582 /nfs/dbraw/zinc/39/25/82/936392582.db2.gz NWZKJLDXQHIYSS-UHFFFAOYSA-N 1 2 264.325 1.618 20 30 CDEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1onc(C)c1C#N ZINC001181995252 917547150 /nfs/dbraw/zinc/54/71/50/917547150.db2.gz WJUHPJPKKWRETP-LLVKDONJSA-N 1 2 262.313 1.668 20 30 CDEDLO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1onc(C)c1C#N ZINC001181995252 917547156 /nfs/dbraw/zinc/54/71/56/917547156.db2.gz WJUHPJPKKWRETP-LLVKDONJSA-N 1 2 262.313 1.668 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CCC2)C1 ZINC001107679976 918593865 /nfs/dbraw/zinc/59/38/65/918593865.db2.gz MJXBHEGOWWUMJH-HNNXBMFYSA-N 1 2 264.369 1.017 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CCC2)C1 ZINC001107679976 918593892 /nfs/dbraw/zinc/59/38/92/918593892.db2.gz MJXBHEGOWWUMJH-HNNXBMFYSA-N 1 2 264.369 1.017 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccncc2)C1 ZINC001107691128 918631104 /nfs/dbraw/zinc/63/11/04/918631104.db2.gz SAMJDOMWQVGTEF-HNNXBMFYSA-N 1 2 275.352 1.088 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccncc2)C1 ZINC001107691128 918631114 /nfs/dbraw/zinc/63/11/14/918631114.db2.gz SAMJDOMWQVGTEF-HNNXBMFYSA-N 1 2 275.352 1.088 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001077742655 918928415 /nfs/dbraw/zinc/92/84/15/918928415.db2.gz BKHSJYRDKDZCQU-NSHDSACASA-N 1 2 292.383 1.175 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(OCCO)cc2)C1 ZINC001138797922 936570000 /nfs/dbraw/zinc/57/00/00/936570000.db2.gz KCMGADYWDPUCBV-CQSZACIVSA-N 1 2 260.337 1.793 20 30 CDEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(OCCO)cc2)C1 ZINC001138797922 936570001 /nfs/dbraw/zinc/57/00/01/936570001.db2.gz KCMGADYWDPUCBV-CQSZACIVSA-N 1 2 260.337 1.793 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001185056521 919383178 /nfs/dbraw/zinc/38/31/78/919383178.db2.gz OUSFYOQAJLQIAN-VXGBXAGGSA-N 1 2 294.424 1.831 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2c(C)n[nH]c2C)CC1 ZINC001139103042 936598107 /nfs/dbraw/zinc/59/81/07/936598107.db2.gz SMKNXUACZUQHAY-UHFFFAOYSA-N 1 2 276.340 1.305 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccccc1OCC(=O)OCC ZINC001139137149 936601049 /nfs/dbraw/zinc/60/10/49/936601049.db2.gz VVDDONDTZOSBGP-UHFFFAOYSA-N 1 2 285.343 1.697 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[NH2+]Cc1ncccn1 ZINC001128085209 919819175 /nfs/dbraw/zinc/81/91/75/919819175.db2.gz NMFQEJZASVYVNY-UHFFFAOYSA-N 1 2 274.368 1.451 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)NCc2cccc(OC)c2)CC1 ZINC001186190527 919916104 /nfs/dbraw/zinc/91/61/04/919916104.db2.gz KAWDJASQXAVNOW-UHFFFAOYSA-N 1 2 289.379 1.708 20 30 CDEDLO N#CCC1CC[NH+](Cc2c(N)ncnc2Cl)CC1 ZINC001139440926 936620989 /nfs/dbraw/zinc/62/09/89/936620989.db2.gz MWTWJPFYFBMUDG-UHFFFAOYSA-N 1 2 265.748 1.838 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC)cc1 ZINC001032762313 919981587 /nfs/dbraw/zinc/98/15/87/919981587.db2.gz HBIHOCFYWTYUAP-HOTGVXAUSA-N 1 2 268.360 1.781 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC)cc1 ZINC001032762313 919981601 /nfs/dbraw/zinc/98/16/01/919981601.db2.gz HBIHOCFYWTYUAP-HOTGVXAUSA-N 1 2 268.360 1.781 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)c2cnc(C)[nH]2)C1 ZINC001494118979 920641674 /nfs/dbraw/zinc/64/16/74/920641674.db2.gz HOUHHANSQCMOII-GFCCVEGCSA-N 1 2 296.802 1.865 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)c2cnc(C)[nH]2)C1 ZINC001494118979 920641683 /nfs/dbraw/zinc/64/16/83/920641683.db2.gz HOUHHANSQCMOII-GFCCVEGCSA-N 1 2 296.802 1.865 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3nccnc3N)CC2)cc1 ZINC001140015699 936669463 /nfs/dbraw/zinc/66/94/63/936669463.db2.gz KPXSXLFSRSPIMY-UHFFFAOYSA-N 1 2 294.362 1.253 20 30 CDEDLO COC(=O)C[N@H+](C)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140115832 936679501 /nfs/dbraw/zinc/67/95/01/936679501.db2.gz NSVSEKQIQWDTDC-UHFFFAOYSA-N 1 2 257.293 1.644 20 30 CDEDLO COC(=O)C[N@@H+](C)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140115832 936679503 /nfs/dbraw/zinc/67/95/03/936679503.db2.gz NSVSEKQIQWDTDC-UHFFFAOYSA-N 1 2 257.293 1.644 20 30 CDEDLO N#Cc1ccc2[nH]cc(C[N@H+]3C[C@@H](O)[C@@H](F)C3)c2c1 ZINC001140110015 936679714 /nfs/dbraw/zinc/67/97/14/936679714.db2.gz DEIHOQRCUQCQTD-GXTWGEPZSA-N 1 2 259.284 1.554 20 30 CDEDLO N#Cc1ccc2[nH]cc(C[N@@H+]3C[C@@H](O)[C@@H](F)C3)c2c1 ZINC001140110015 936679716 /nfs/dbraw/zinc/67/97/16/936679716.db2.gz DEIHOQRCUQCQTD-GXTWGEPZSA-N 1 2 259.284 1.554 20 30 CDEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)CC(C)C)c2C1 ZINC001128182829 921105558 /nfs/dbraw/zinc/10/55/58/921105558.db2.gz IGQSQVQQHOVAFZ-UHFFFAOYSA-N 1 2 290.411 1.937 20 30 CDEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)CC(C)C)c2C1 ZINC001128182829 921105566 /nfs/dbraw/zinc/10/55/66/921105566.db2.gz IGQSQVQQHOVAFZ-UHFFFAOYSA-N 1 2 290.411 1.937 20 30 CDEDLO N#Cc1ccnnc1NC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190084769 921834533 /nfs/dbraw/zinc/83/45/33/921834533.db2.gz ADCJDEXTXMYXKP-UHFFFAOYSA-N 1 2 290.286 1.786 20 30 CDEDLO CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)nc1 ZINC001140544634 936723047 /nfs/dbraw/zinc/72/30/47/936723047.db2.gz WYNGALWWHJRNPF-OAHLLOKOSA-N 1 2 286.379 1.834 20 30 CDEDLO CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)nc1 ZINC001140544634 936723049 /nfs/dbraw/zinc/72/30/49/936723049.db2.gz WYNGALWWHJRNPF-OAHLLOKOSA-N 1 2 286.379 1.834 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc(SC)nc2C)CC1 ZINC001190513068 922033356 /nfs/dbraw/zinc/03/33/56/922033356.db2.gz MMJSUJVYXAUQEW-UHFFFAOYSA-N 1 2 292.408 1.451 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(C)CCC2)C1 ZINC001108122668 922565915 /nfs/dbraw/zinc/56/59/15/922565915.db2.gz WNHGQGLBMJIVLV-MRXNPFEDSA-N 1 2 278.396 1.407 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2(C)CCC2)C1 ZINC001108122668 922565933 /nfs/dbraw/zinc/56/59/33/922565933.db2.gz WNHGQGLBMJIVLV-MRXNPFEDSA-N 1 2 278.396 1.407 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2[nH]cc(C)c2C)CC1 ZINC001140866768 936767157 /nfs/dbraw/zinc/76/71/57/936767157.db2.gz CUSRKAXCNQPXQJ-UHFFFAOYSA-N 1 2 275.352 1.910 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@]2(C)C=CCC2)C1 ZINC001108138566 922730950 /nfs/dbraw/zinc/73/09/50/922730950.db2.gz PWXVAHZBGBXATR-IAGOWNOFSA-N 1 2 290.407 1.573 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@]2(C)C=CCC2)C1 ZINC001108138566 922730963 /nfs/dbraw/zinc/73/09/63/922730963.db2.gz PWXVAHZBGBXATR-IAGOWNOFSA-N 1 2 290.407 1.573 20 30 CDEDLO C=CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC001192073445 922898077 /nfs/dbraw/zinc/89/80/77/922898077.db2.gz UGOZNCONYJCULF-OAHLLOKOSA-N 1 2 290.411 1.809 20 30 CDEDLO C=CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C)n2)C1 ZINC001192073445 922898087 /nfs/dbraw/zinc/89/80/87/922898087.db2.gz UGOZNCONYJCULF-OAHLLOKOSA-N 1 2 290.411 1.809 20 30 CDEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@H+](CC=C)CCO1 ZINC001108169085 923482961 /nfs/dbraw/zinc/48/29/61/923482961.db2.gz JNIMOEQCXQLYOD-HNNXBMFYSA-N 1 2 266.385 1.736 20 30 CDEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@@H+](CC=C)CCO1 ZINC001108169085 923482969 /nfs/dbraw/zinc/48/29/69/923482969.db2.gz 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/nfs/dbraw/zinc/71/85/25/924718525.db2.gz NZWRTKSLDJHWMJ-HUUCEWRRSA-N 1 2 291.326 1.033 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2cccs2)[C@H](OC)C1 ZINC001082125328 924864056 /nfs/dbraw/zinc/86/40/56/924864056.db2.gz SIYATBRVLSOCEN-YNEHKIRRSA-N 1 2 292.404 1.300 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2cccs2)[C@H](OC)C1 ZINC001082125328 924864059 /nfs/dbraw/zinc/86/40/59/924864059.db2.gz SIYATBRVLSOCEN-YNEHKIRRSA-N 1 2 292.404 1.300 20 30 CDEDLO CSc1nc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)ccc1C#N ZINC001141928894 936955457 /nfs/dbraw/zinc/95/54/57/936955457.db2.gz CCDDXEQGJAPPNI-NWDGAFQWSA-N 1 2 281.356 1.580 20 30 CDEDLO CSc1nc(C[N@H+]2CC[C@H](F)[C@H](O)C2)ccc1C#N ZINC001141928894 936955460 /nfs/dbraw/zinc/95/54/60/936955460.db2.gz CCDDXEQGJAPPNI-NWDGAFQWSA-N 1 2 281.356 1.580 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)C2(CC)CC2)CC1 ZINC001197048292 925034615 /nfs/dbraw/zinc/03/46/15/925034615.db2.gz CYCGRFUQJAKSCY-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(CC)CC2)CC1 ZINC001197048292 925034623 /nfs/dbraw/zinc/03/46/23/925034623.db2.gz CYCGRFUQJAKSCY-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(N3CC[C@H](CO)C3)c2c1 ZINC001166552222 925103694 /nfs/dbraw/zinc/10/36/94/925103694.db2.gz LZFMDKZVEWCQGP-LBPRGKRZSA-N 1 2 253.305 1.925 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@@H+](CCF)C[C@H]32)c1 ZINC001084261740 925206251 /nfs/dbraw/zinc/20/62/51/925206251.db2.gz WMOBRWPPJNCCHU-DGCLKSJQSA-N 1 2 276.315 1.002 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@H+](CCF)C[C@H]32)c1 ZINC001084261740 925206258 /nfs/dbraw/zinc/20/62/58/925206258.db2.gz WMOBRWPPJNCCHU-DGCLKSJQSA-N 1 2 276.315 1.002 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1cc(=O)n2ccsc2n1)[C@H]1CCCO1 ZINC000775794917 925263555 /nfs/dbraw/zinc/26/35/55/925263555.db2.gz UAOFUYSEMUGFRR-VXGBXAGGSA-N 1 2 289.360 1.026 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H](C)CCOC)CC1 ZINC001198182898 925355957 /nfs/dbraw/zinc/35/59/57/925355957.db2.gz ULXDUFGNFJABQB-GFCCVEGCSA-N 1 2 288.819 1.946 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H](C)CCOC)CC1 ZINC001198182898 925355965 /nfs/dbraw/zinc/35/59/65/925355965.db2.gz ULXDUFGNFJABQB-GFCCVEGCSA-N 1 2 288.819 1.946 20 30 CDEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](CCF)C[C@H]32)nc1 ZINC001084783690 925424959 /nfs/dbraw/zinc/42/49/59/925424959.db2.gz FAPZFGWUJUDVSH-UKRRQHHQSA-N 1 2 287.338 1.179 20 30 CDEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](CCF)C[C@H]32)nc1 ZINC001084783690 925424965 /nfs/dbraw/zinc/42/49/65/925424965.db2.gz FAPZFGWUJUDVSH-UKRRQHHQSA-N 1 2 287.338 1.179 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C#CC(C)C)c1nccn12 ZINC001101625213 936995154 /nfs/dbraw/zinc/99/51/54/936995154.db2.gz AMUSPAQALHIGLV-CQSZACIVSA-N 1 2 298.390 1.300 20 30 CDEDLO C#CCNC(=O)/C=C/c1ccc(Cn2cc[nH+]c2)cc1 ZINC001142372774 937008239 /nfs/dbraw/zinc/00/82/39/937008239.db2.gz SNHUEJJCKNXWIG-BQYQJAHWSA-N 1 2 265.316 1.694 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(CC)CCCCC2)C1 ZINC001198962652 925578840 /nfs/dbraw/zinc/57/88/40/925578840.db2.gz LUXOXFOAJYHQJF-ZIAGYGMSSA-N 1 2 278.396 1.141 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(CC)CCCCC2)C1 ZINC001198962652 925578847 /nfs/dbraw/zinc/57/88/47/925578847.db2.gz LUXOXFOAJYHQJF-ZIAGYGMSSA-N 1 2 278.396 1.141 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C)s1 ZINC001085510669 926094759 /nfs/dbraw/zinc/09/47/59/926094759.db2.gz AMHZEAGYHQLYKX-LBPRGKRZSA-N 1 2 277.393 1.621 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C)s1 ZINC001085510669 926094763 /nfs/dbraw/zinc/09/47/63/926094763.db2.gz AMHZEAGYHQLYKX-LBPRGKRZSA-N 1 2 277.393 1.621 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccnn1CCC ZINC001085620278 926223452 /nfs/dbraw/zinc/22/34/52/926223452.db2.gz KUXOHTIQGYXIST-CYBMUJFWSA-N 1 2 274.368 1.073 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccnn1CCC ZINC001085620278 926223457 /nfs/dbraw/zinc/22/34/57/926223457.db2.gz KUXOHTIQGYXIST-CYBMUJFWSA-N 1 2 274.368 1.073 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn(C(C)(C)C)c1 ZINC001085685071 926283254 /nfs/dbraw/zinc/28/32/54/926283254.db2.gz IIUMDCAMJLGXLD-AWEZNQCLSA-N 1 2 288.395 1.418 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(C(C)(C)C)c1 ZINC001085685071 926283262 /nfs/dbraw/zinc/28/32/62/926283262.db2.gz IIUMDCAMJLGXLD-AWEZNQCLSA-N 1 2 288.395 1.418 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1occ2c1CCC2 ZINC001085744471 926350877 /nfs/dbraw/zinc/35/08/77/926350877.db2.gz KSQQBEFFNZCVFL-CYBMUJFWSA-N 1 2 272.348 1.548 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1occ2c1CCC2 ZINC001085744471 926350886 /nfs/dbraw/zinc/35/08/86/926350886.db2.gz KSQQBEFFNZCVFL-CYBMUJFWSA-N 1 2 272.348 1.548 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2c[nH]nc21 ZINC001085757773 926364654 /nfs/dbraw/zinc/36/46/54/926364654.db2.gz QYUOLYCMACLOME-CQSZACIVSA-N 1 2 296.374 1.733 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2c[nH]nc21 ZINC001085757773 926364663 /nfs/dbraw/zinc/36/46/63/926364663.db2.gz QYUOLYCMACLOME-CQSZACIVSA-N 1 2 296.374 1.733 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccnc1OC ZINC001085797144 926404969 /nfs/dbraw/zinc/40/49/69/926404969.db2.gz IXJWLSSZCRHQBN-CYBMUJFWSA-N 1 2 287.363 1.260 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccnc1OC ZINC001085797144 926404974 /nfs/dbraw/zinc/40/49/74/926404974.db2.gz IXJWLSSZCRHQBN-CYBMUJFWSA-N 1 2 287.363 1.260 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2cccnn21 ZINC001085860082 926459054 /nfs/dbraw/zinc/45/90/54/926459054.db2.gz QDDUUJQILFFCNW-AWEZNQCLSA-N 1 2 282.347 1.114 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2cccnn21 ZINC001085860082 926459057 /nfs/dbraw/zinc/45/90/57/926459057.db2.gz QDDUUJQILFFCNW-AWEZNQCLSA-N 1 2 282.347 1.114 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2ccn(C)c2c1 ZINC001085906509 926491227 /nfs/dbraw/zinc/49/12/27/926491227.db2.gz KEHJNDJCQQRXPR-INIZCTEOSA-N 1 2 295.386 1.958 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2ccn(C)c2c1 ZINC001085906509 926491230 /nfs/dbraw/zinc/49/12/30/926491230.db2.gz KEHJNDJCQQRXPR-INIZCTEOSA-N 1 2 295.386 1.958 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(NC(C)=O)cc1 ZINC001085942032 926528431 /nfs/dbraw/zinc/52/84/31/926528431.db2.gz WQVJBCPEVBOOOM-INIZCTEOSA-N 1 2 299.374 1.425 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(NC(C)=O)cc1 ZINC001085942032 926528438 /nfs/dbraw/zinc/52/84/38/926528438.db2.gz WQVJBCPEVBOOOM-INIZCTEOSA-N 1 2 299.374 1.425 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn2c(cccc2C)n1 ZINC001085963461 926551054 /nfs/dbraw/zinc/55/10/54/926551054.db2.gz IFCJQBAZJKBQLK-CQSZACIVSA-N 1 2 296.374 1.422 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn2c(cccc2C)n1 ZINC001085963461 926551059 /nfs/dbraw/zinc/55/10/59/926551059.db2.gz IFCJQBAZJKBQLK-CQSZACIVSA-N 1 2 296.374 1.422 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC23CCC3)C1 ZINC001108248699 926773895 /nfs/dbraw/zinc/77/38/95/926773895.db2.gz OYTCQQWFCVJMNV-ZBFHGGJFSA-N 1 2 290.407 1.407 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC23CCC3)C1 ZINC001108248699 926773903 /nfs/dbraw/zinc/77/39/03/926773903.db2.gz OYTCQQWFCVJMNV-ZBFHGGJFSA-N 1 2 290.407 1.407 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1c(C)cnn1C ZINC001439365355 927284347 /nfs/dbraw/zinc/28/43/47/927284347.db2.gz QAPJFKCFUFCZKO-LLVKDONJSA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1c(C)cnn1C ZINC001439365355 927284358 /nfs/dbraw/zinc/28/43/58/927284358.db2.gz QAPJFKCFUFCZKO-LLVKDONJSA-N 1 2 284.791 1.531 20 30 CDEDLO C=CCOCCCC(=O)N[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001108293033 927340034 /nfs/dbraw/zinc/34/00/34/927340034.db2.gz LTHONPKZGUQIRR-LBPRGKRZSA-N 1 2 292.383 1.684 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C#CC(C)C)C1 ZINC001149672864 937198849 /nfs/dbraw/zinc/19/88/49/937198849.db2.gz HCGGOZOVEBBMTK-AWEZNQCLSA-N 1 2 298.814 1.605 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C#CC(C)C)C1 ZINC001149672864 937198850 /nfs/dbraw/zinc/19/88/50/937198850.db2.gz HCGGOZOVEBBMTK-AWEZNQCLSA-N 1 2 298.814 1.605 20 30 CDEDLO COc1cc(Cl)nc(N2CC[NH2+]C[C@@H]2C#N)c1 ZINC001156319974 928039600 /nfs/dbraw/zinc/03/96/00/928039600.db2.gz KLPPMJZNXQGWHV-QMMMGPOBSA-N 1 2 252.705 1.045 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(N)=O ZINC001109767666 929039067 /nfs/dbraw/zinc/03/90/67/929039067.db2.gz FQULKZXUVNTKPR-NDBYEHHHSA-N 1 2 293.411 1.184 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(N)=O ZINC001109767666 929039079 /nfs/dbraw/zinc/03/90/79/929039079.db2.gz FQULKZXUVNTKPR-NDBYEHHHSA-N 1 2 293.411 1.184 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccccc2C)CC1 ZINC001112598448 929225331 /nfs/dbraw/zinc/22/53/31/929225331.db2.gz JDPMXYCNNJQXDC-UHFFFAOYSA-N 1 2 288.391 1.955 20 30 CDEDLO C=CCOCCCC(=O)N1CC[NH+](CC#CC)CC1 ZINC001112756863 929385664 /nfs/dbraw/zinc/38/56/64/929385664.db2.gz BNGBGWQLZYERLD-UHFFFAOYSA-N 1 2 264.369 1.137 20 30 CDEDLO C=CCCC[NH+]1CCN(C(=O)c2cccc3nn[nH]c32)CC1 ZINC001112873689 929522762 /nfs/dbraw/zinc/52/27/62/929522762.db2.gz WAJYGSNDKGQTOD-UHFFFAOYSA-N 1 2 299.378 1.682 20 30 CDEDLO C=CCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ncccn1 ZINC001152353536 937355164 /nfs/dbraw/zinc/35/51/64/937355164.db2.gz ZJLXQDYWDPMISK-CYBMUJFWSA-N 1 2 276.384 1.769 20 30 CDEDLO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncccn1 ZINC001152353536 937355167 /nfs/dbraw/zinc/35/51/67/937355167.db2.gz ZJLXQDYWDPMISK-CYBMUJFWSA-N 1 2 276.384 1.769 20 30 CDEDLO C#CC1(F)CN(C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000883227184 930166745 /nfs/dbraw/zinc/16/67/45/930166745.db2.gz MOXBTTZZPJEMEW-UHFFFAOYSA-N 1 2 287.338 1.369 20 30 CDEDLO C=CC[C@H]([NH2+]C1CCN(C(=O)OCC)CC1)C(=O)OCC ZINC001116774946 937470790 /nfs/dbraw/zinc/47/07/90/937470790.db2.gz GXOQMGAZMSLJPQ-ZDUSSCGKSA-N 1 2 298.383 1.705 20 30 CDEDLO CN1CCO[C@@]2(CCC[N@H+](Cc3cncc(C#N)c3)C2)C1 ZINC001275028752 931636741 /nfs/dbraw/zinc/63/67/41/931636741.db2.gz LQWSZEKPPDCNFB-INIZCTEOSA-N 1 2 286.379 1.250 20 30 CDEDLO CN1CCO[C@@]2(CCC[N@@H+](Cc3cncc(C#N)c3)C2)C1 ZINC001275028752 931636745 /nfs/dbraw/zinc/63/67/45/931636745.db2.gz LQWSZEKPPDCNFB-INIZCTEOSA-N 1 2 286.379 1.250 20 30 CDEDLO COC[C@@H]1Cn2ccnc2C[N@H+](Cc2cncc(C#N)c2)C1 ZINC001144076079 931648298 /nfs/dbraw/zinc/64/82/98/931648298.db2.gz YDBOANJLRMDJPO-HNNXBMFYSA-N 1 2 297.362 1.428 20 30 CDEDLO COC[C@@H]1Cn2ccnc2C[N@@H+](Cc2cncc(C#N)c2)C1 ZINC001144076079 931648301 /nfs/dbraw/zinc/64/83/01/931648301.db2.gz YDBOANJLRMDJPO-HNNXBMFYSA-N 1 2 297.362 1.428 20 30 CDEDLO C[C@@H]1C[N@H+](C2CN(Cc3ccc(C#N)cn3)C2)C[C@H](C)O1 ZINC001144169822 931690185 /nfs/dbraw/zinc/69/01/85/931690185.db2.gz YNASEMWZNYRWOK-BETUJISGSA-N 1 2 286.379 1.247 20 30 CDEDLO C[C@@H]1C[N@@H+](C2CN(Cc3ccc(C#N)cn3)C2)C[C@H](C)O1 ZINC001144169822 931690186 /nfs/dbraw/zinc/69/01/86/931690186.db2.gz YNASEMWZNYRWOK-BETUJISGSA-N 1 2 286.379 1.247 20 30 CDEDLO C=CCn1cc(C[NH+]2CC3(CN(Cc4ccc[nH]4)C3)C2)cn1 ZINC001275381284 931760049 /nfs/dbraw/zinc/76/00/49/931760049.db2.gz PZFHGFITFTUQRI-UHFFFAOYSA-N 1 2 297.406 1.715 20 30 CDEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC(=O)N[C@H](C)C1 ZINC001171203757 931942039 /nfs/dbraw/zinc/94/20/39/931942039.db2.gz PSGWSDMEUBAEPL-VXGBXAGGSA-N 1 2 257.337 1.310 20 30 CDEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC(=O)N[C@H](C)C1 ZINC001171203757 931942047 /nfs/dbraw/zinc/94/20/47/931942047.db2.gz PSGWSDMEUBAEPL-VXGBXAGGSA-N 1 2 257.337 1.310 20 30 CDEDLO C=C(C)C(=O)NCCCNC(=O)c1cccc2[nH+]ccn21 ZINC001154526194 937553670 /nfs/dbraw/zinc/55/36/70/937553670.db2.gz MPSXPPCZLDWYNA-UHFFFAOYSA-N 1 2 286.335 1.147 20 30 CDEDLO C=CCN(C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1)C1CC1 ZINC001118054696 937586095 /nfs/dbraw/zinc/58/60/95/937586095.db2.gz ZAOXRWRVRFVTPQ-UHFFFAOYSA-N 1 2 287.363 1.492 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccc(F)c(OC)c2)nn1 ZINC001118125785 937594395 /nfs/dbraw/zinc/59/43/95/937594395.db2.gz YFAMHUSNLDPRDQ-UHFFFAOYSA-N 1 2 276.315 1.902 20 30 CDEDLO CCN(C)c1ccc(Nc2ccnc(C#N)c2)c[nH+]1 ZINC001206606910 934905421 /nfs/dbraw/zinc/90/54/21/934905421.db2.gz FXDUXVCKWQMSIS-UHFFFAOYSA-N 1 2 253.309 1.970 20 30 CDEDLO C=CCOc1ccccc1C[NH+]1CCN(C(N)=O)CC1 ZINC001139029573 935597902 /nfs/dbraw/zinc/59/79/02/935597902.db2.gz DUWPTSWGNDOZOA-UHFFFAOYSA-N 1 2 275.352 1.448 20 30 CDEDLO Cn1nncc1C[N@@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001238168717 945113049 /nfs/dbraw/zinc/11/30/49/945113049.db2.gz YMOCWWMWCCIRBH-HNNXBMFYSA-N 1 2 297.362 1.730 20 30 CDEDLO Cn1nncc1C[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001238168717 945113051 /nfs/dbraw/zinc/11/30/51/945113051.db2.gz YMOCWWMWCCIRBH-HNNXBMFYSA-N 1 2 297.362 1.730 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(C)CCOC1)C2 ZINC001096244802 936019917 /nfs/dbraw/zinc/01/99/17/936019917.db2.gz YHEYMEXEGKTFNI-UKTARXLSSA-N 1 2 298.814 1.887 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(C)CCOC1)C2 ZINC001096244802 936019919 /nfs/dbraw/zinc/01/99/19/936019919.db2.gz YHEYMEXEGKTFNI-UKTARXLSSA-N 1 2 298.814 1.887 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccns1)C2 ZINC001097162443 936275303 /nfs/dbraw/zinc/27/53/03/936275303.db2.gz TVUPSKADYVAKOA-MXWKQRLJSA-N 1 2 261.350 1.111 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccns1)C2 ZINC001097162443 936275308 /nfs/dbraw/zinc/27/53/08/936275308.db2.gz TVUPSKADYVAKOA-MXWKQRLJSA-N 1 2 261.350 1.111 20 30 CDEDLO Cc1ccc(CC#N)c(N2CC(=O)N(C)C[C@@H]2C)[nH+]1 ZINC001156191274 938332512 /nfs/dbraw/zinc/33/25/12/938332512.db2.gz YESUQPHKDDQDRN-NSHDSACASA-N 1 2 258.325 1.123 20 30 CDEDLO CCOC(=O)c1cc2ccc(N3CC[NH2+]C[C@@H]3C#N)nc2[nH]1 ZINC001156328036 938353255 /nfs/dbraw/zinc/35/32/55/938353255.db2.gz YRTDUKOMIMGVHG-NSHDSACASA-N 1 2 299.334 1.041 20 30 CDEDLO COc1cc(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)ccc1C#N ZINC001238409167 945169648 /nfs/dbraw/zinc/16/96/48/945169648.db2.gz CGMLJHJGBWRAML-JSGCOSHPSA-N 1 2 278.327 1.719 20 30 CDEDLO COc1cc(C[N@H+]2C[C@@H](F)C[C@H](CO)C2)ccc1C#N ZINC001238409167 945169652 /nfs/dbraw/zinc/16/96/52/945169652.db2.gz CGMLJHJGBWRAML-JSGCOSHPSA-N 1 2 278.327 1.719 20 30 CDEDLO N#CC1(CC(=O)NCc2[nH]c3c([nH+]2)CCCC3)CC1 ZINC001156897901 938431070 /nfs/dbraw/zinc/43/10/70/938431070.db2.gz YZHPWCSVNRJFFF-UHFFFAOYSA-N 1 2 258.325 1.599 20 30 CDEDLO C#CCCC1(CCNC(=O)c2ccc3[nH+]c(N)[nH]c3c2)N=N1 ZINC001156976976 938442611 /nfs/dbraw/zinc/44/26/11/938442611.db2.gz JPIPKZDLOWZHKS-UHFFFAOYSA-N 1 2 296.334 1.841 20 30 CDEDLO COc1cc(N2CCN(c3ccc(C#N)cn3)CC2)cc[nH+]1 ZINC001158098169 938582436 /nfs/dbraw/zinc/58/24/36/938582436.db2.gz MABYNTQVRDSPCW-UHFFFAOYSA-N 1 2 295.346 1.683 20 30 CDEDLO Cc1nc(NC[C@@H]2COCC[N@H+]2C)ccc1CC#N ZINC001158710939 938654113 /nfs/dbraw/zinc/65/41/13/938654113.db2.gz NRLMBJJLIIFBKU-CYBMUJFWSA-N 1 2 260.341 1.199 20 30 CDEDLO Cc1nc(NC[C@@H]2COCC[N@@H+]2C)ccc1CC#N ZINC001158710939 938654115 /nfs/dbraw/zinc/65/41/15/938654115.db2.gz NRLMBJJLIIFBKU-CYBMUJFWSA-N 1 2 260.341 1.199 20 30 CDEDLO N#Cc1cnc(NC2CN(c3cccc[nH+]3)C2)cn1 ZINC001161319419 938888265 /nfs/dbraw/zinc/88/82/65/938888265.db2.gz QXARBUYEAUDUQN-UHFFFAOYSA-N 1 2 252.281 1.044 20 30 CDEDLO COc1cc(C#N)nc(NC[C@H]([NH3+])C(=O)OC(C)(C)C)c1 ZINC001162849583 939153070 /nfs/dbraw/zinc/15/30/70/939153070.db2.gz NKEWOSHJUGINBT-NSHDSACASA-N 1 2 292.339 1.043 20 30 CDEDLO Cc1cnc(NCc2ccc3[nH+]ccn3c2)c(C#N)n1 ZINC001163139730 939211116 /nfs/dbraw/zinc/21/11/16/939211116.db2.gz VHEBPVOELMBJMF-UHFFFAOYSA-N 1 2 264.292 1.917 20 30 CDEDLO N#CN=C(Nc1ccn2cc[nH+]c2c1)c1ccncc1 ZINC001164510462 939481325 /nfs/dbraw/zinc/48/13/25/939481325.db2.gz NBDDPCQGAIFCRL-UHFFFAOYSA-N 1 2 262.276 1.878 20 30 CDEDLO CC(C)C(=O)N[C@@H]1[C@H]2CN(c3cc(CC#N)cc[nH+]3)C[C@H]21 ZINC001166280524 939602980 /nfs/dbraw/zinc/60/29/80/939602980.db2.gz UQPOUFLBTMWZNX-NHAGDIPZSA-N 1 2 284.363 1.354 20 30 CDEDLO Cn1cc2c(n1)CCN(c1[nH+]ccc3[nH]cc(C#N)c31)C2 ZINC001166749340 939635316 /nfs/dbraw/zinc/63/53/16/939635316.db2.gz JCYLMRNUDQGQNV-UHFFFAOYSA-N 1 2 278.319 1.731 20 30 CDEDLO COc1cc(C[NH+]2CC(CC#N)C2)ccc1OC(C)=O ZINC001203824370 939706164 /nfs/dbraw/zinc/70/61/64/939706164.db2.gz DIEBVODGLCRNIQ-UHFFFAOYSA-N 1 2 274.320 1.966 20 30 CDEDLO C[C@@H]1C[N@H+](C2CN(Cc3ccccc3C#N)C2)C[C@H](C)O1 ZINC001204374768 939761864 /nfs/dbraw/zinc/76/18/64/939761864.db2.gz GXMPNARDCRNLOW-OKILXGFUSA-N 1 2 285.391 1.852 20 30 CDEDLO C[C@@H]1C[N@@H+](C2CN(Cc3ccccc3C#N)C2)C[C@H](C)O1 ZINC001204374768 939761867 /nfs/dbraw/zinc/76/18/67/939761867.db2.gz GXMPNARDCRNLOW-OKILXGFUSA-N 1 2 285.391 1.852 20 30 CDEDLO Cc1c(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)cnn1C ZINC001204569503 939775373 /nfs/dbraw/zinc/77/53/73/939775373.db2.gz UWSRUBYZBHAMPH-GFCCVEGCSA-N 1 2 263.366 1.503 20 30 CDEDLO CCn1cc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)cn1 ZINC001205525096 939895859 /nfs/dbraw/zinc/89/58/59/939895859.db2.gz NYTVDOFIOVWGAT-LBPRGKRZSA-N 1 2 263.366 1.677 20 30 CDEDLO CCn1cc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cn1 ZINC001205525096 939895865 /nfs/dbraw/zinc/89/58/65/939895865.db2.gz NYTVDOFIOVWGAT-LBPRGKRZSA-N 1 2 263.366 1.677 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)o2)C[C@H]1C ZINC001206912232 940110713 /nfs/dbraw/zinc/11/07/13/940110713.db2.gz BAEOYEGSJCSRPA-TZMCWYRMSA-N 1 2 289.379 1.723 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ncc(C)o2)C[C@H]1C ZINC001206912232 940110715 /nfs/dbraw/zinc/11/07/15/940110715.db2.gz BAEOYEGSJCSRPA-TZMCWYRMSA-N 1 2 289.379 1.723 20 30 CDEDLO C#Cc1cc(Nc2ccc(CO)c(F)c2F)cc[nH+]1 ZINC001215026182 940852918 /nfs/dbraw/zinc/85/29/18/940852918.db2.gz ILSOFHBDTVXYHS-UHFFFAOYSA-N 1 2 260.243 1.999 20 30 CDEDLO C#Cc1cc(Nc2cc(C(N)=O)ccc2OC)cc[nH+]1 ZINC001215324096 940873064 /nfs/dbraw/zinc/87/30/64/940873064.db2.gz YEGYVCSTGPNQFN-UHFFFAOYSA-N 1 2 267.288 1.336 20 30 CDEDLO O=C(NCCCCn1cc[nH+]c1)c1cccc(C#CCO)c1 ZINC000315264850 941446999 /nfs/dbraw/zinc/44/69/99/941446999.db2.gz QVZYNTRTTOZVST-UHFFFAOYSA-N 1 2 297.358 1.437 20 30 CDEDLO C#CCOCCC(=O)N1C[C@H]2CC[N@@H+](CC(=C)Cl)C[C@H]21 ZINC001221544889 941542618 /nfs/dbraw/zinc/54/26/18/941542618.db2.gz LRCUWPZTCSSGHI-ZIAGYGMSSA-N 1 2 296.798 1.312 20 30 CDEDLO C#CCOCCC(=O)N1C[C@H]2CC[N@H+](CC(=C)Cl)C[C@H]21 ZINC001221544889 941542622 /nfs/dbraw/zinc/54/26/22/941542622.db2.gz LRCUWPZTCSSGHI-ZIAGYGMSSA-N 1 2 296.798 1.312 20 30 CDEDLO C=CCCOCC(=O)N1C[C@H]2CC[N@@H+](CC(=C)Cl)C[C@H]21 ZINC001222064189 941558612 /nfs/dbraw/zinc/55/86/12/941558612.db2.gz IRQCOHBVAHQCMC-ZIAGYGMSSA-N 1 2 298.814 1.864 20 30 CDEDLO C=CCCOCC(=O)N1C[C@H]2CC[N@H+](CC(=C)Cl)C[C@H]21 ZINC001222064189 941558614 /nfs/dbraw/zinc/55/86/14/941558614.db2.gz IRQCOHBVAHQCMC-ZIAGYGMSSA-N 1 2 298.814 1.864 20 30 CDEDLO N#Cc1ccnc(N2CCC(OCCn3cc[nH+]c3)CC2)c1 ZINC001222138910 941568462 /nfs/dbraw/zinc/56/84/62/941568462.db2.gz LYAAVMNKGMSXPH-UHFFFAOYSA-N 1 2 297.362 1.835 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H]2CN(C)C[C@@H](C1)O2 ZINC001276856908 941651008 /nfs/dbraw/zinc/65/10/08/941651008.db2.gz NGXXVLZWQVBTAI-IYBDPMFKSA-N 1 2 271.364 1.382 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@H+]1C[C@H]2CN(C)C[C@@H](C1)O2 ZINC001276856908 941651009 /nfs/dbraw/zinc/65/10/09/941651009.db2.gz NGXXVLZWQVBTAI-IYBDPMFKSA-N 1 2 271.364 1.382 20 30 CDEDLO COc1ccc(C#N)cc1OC[C@@H]1C[N@H+](C)CCO1 ZINC001225689895 941900033 /nfs/dbraw/zinc/90/00/33/941900033.db2.gz YAVRBVWGWILQIL-LBPRGKRZSA-N 1 2 262.309 1.276 20 30 CDEDLO COc1ccc(C#N)cc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001225689895 941900036 /nfs/dbraw/zinc/90/00/36/941900036.db2.gz YAVRBVWGWILQIL-LBPRGKRZSA-N 1 2 262.309 1.276 20 30 CDEDLO CCc1ncnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1F ZINC001226067955 941947510 /nfs/dbraw/zinc/94/75/10/941947510.db2.gz XQWJPKZHDLBVIK-PINQPDRWSA-N 1 2 279.315 1.169 20 30 CDEDLO CCc1ncnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1F ZINC001226067955 941947512 /nfs/dbraw/zinc/94/75/12/941947512.db2.gz XQWJPKZHDLBVIK-PINQPDRWSA-N 1 2 279.315 1.169 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc(F)c(F)cc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226199821 941965472 /nfs/dbraw/zinc/96/54/72/941965472.db2.gz AWZGBVPLPACHDJ-VZZZPGGVSA-N 1 2 286.253 1.490 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc(F)c(F)cc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226199821 941965475 /nfs/dbraw/zinc/96/54/75/941965475.db2.gz AWZGBVPLPACHDJ-VZZZPGGVSA-N 1 2 286.253 1.490 20 30 CDEDLO C=CCC(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](CC)C(N)=O ZINC001316602141 942424646 /nfs/dbraw/zinc/42/46/46/942424646.db2.gz KSURIZVGPDGFPL-QWHCGFSZSA-N 1 2 295.427 1.385 20 30 CDEDLO C=CCC(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](CC)C(N)=O ZINC001316602141 942424647 /nfs/dbraw/zinc/42/46/47/942424647.db2.gz KSURIZVGPDGFPL-QWHCGFSZSA-N 1 2 295.427 1.385 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@@H+]1C/C=C/Cl ZINC001231245912 942832671 /nfs/dbraw/zinc/83/26/71/942832671.db2.gz BXWWEIKRBQEEIK-FUEXJSSKSA-N 1 2 272.776 1.474 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@H+]1C/C=C/Cl ZINC001231245912 942832677 /nfs/dbraw/zinc/83/26/77/942832677.db2.gz BXWWEIKRBQEEIK-FUEXJSSKSA-N 1 2 272.776 1.474 20 30 CDEDLO Cc1nc(C)c(C[N@H+]2CC[C@@H]2CN(C)C(=O)[C@@H](C)C#N)o1 ZINC001231293647 942847091 /nfs/dbraw/zinc/84/70/91/942847091.db2.gz PFXZIKVNUDBHTL-GXFFZTMASA-N 1 2 290.367 1.484 20 30 CDEDLO Cc1nc(C)c(C[N@@H+]2CC[C@@H]2CN(C)C(=O)[C@@H](C)C#N)o1 ZINC001231293647 942847096 /nfs/dbraw/zinc/84/70/96/942847096.db2.gz PFXZIKVNUDBHTL-GXFFZTMASA-N 1 2 290.367 1.484 20 30 CDEDLO COC(=O)C1C[NH+](Cc2ccc(C#N)cc2OC)C1 ZINC001231617291 942945774 /nfs/dbraw/zinc/94/57/74/942945774.db2.gz RYBQOHBBCAUFIE-UHFFFAOYSA-N 1 2 260.293 1.172 20 30 CDEDLO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccn2)C1 ZINC001232481703 943294413 /nfs/dbraw/zinc/29/44/13/943294413.db2.gz IXJKXWBXUUMBAY-CQSZACIVSA-N 1 2 286.379 1.690 20 30 CDEDLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001232481703 943294415 /nfs/dbraw/zinc/29/44/15/943294415.db2.gz IXJKXWBXUUMBAY-CQSZACIVSA-N 1 2 286.379 1.690 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)c1 ZINC001232674551 943357457 /nfs/dbraw/zinc/35/74/57/943357457.db2.gz BAOGNHPVYWTFID-YPMHNXCESA-N 1 2 280.274 1.730 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)c1 ZINC001232674551 943357460 /nfs/dbraw/zinc/35/74/60/943357460.db2.gz BAOGNHPVYWTFID-YPMHNXCESA-N 1 2 280.274 1.730 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(C#N)ccc2O)CCCO1 ZINC001232677948 943360913 /nfs/dbraw/zinc/36/09/13/943360913.db2.gz MEWWCWHTVURTOX-AWEZNQCLSA-N 1 2 290.319 1.028 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2O)CCCO1 ZINC001232677948 943360918 /nfs/dbraw/zinc/36/09/18/943360918.db2.gz MEWWCWHTVURTOX-AWEZNQCLSA-N 1 2 290.319 1.028 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC1CCC1 ZINC001233521030 943607438 /nfs/dbraw/zinc/60/74/38/943607438.db2.gz QNDGXCXAARIFFL-AWEZNQCLSA-N 1 2 293.411 1.012 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC1CCC1 ZINC001233521030 943607442 /nfs/dbraw/zinc/60/74/42/943607442.db2.gz QNDGXCXAARIFFL-AWEZNQCLSA-N 1 2 293.411 1.012 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncnc4c3CSC4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233895148 943685298 /nfs/dbraw/zinc/68/52/98/943685298.db2.gz HCQSMRYXAFXBAA-ROHLRWBXSA-N 1 2 291.376 1.215 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncnc4c3CSC4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233895148 943685299 /nfs/dbraw/zinc/68/52/99/943685299.db2.gz HCQSMRYXAFXBAA-ROHLRWBXSA-N 1 2 291.376 1.215 20 30 CDEDLO C#Cc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)nc1 ZINC001233966012 943703946 /nfs/dbraw/zinc/70/39/46/943703946.db2.gz PBMDQTAJSJBMMO-KYFMZXIUSA-N 1 2 256.305 1.054 20 30 CDEDLO C#Cc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)nc1 ZINC001233966012 943703948 /nfs/dbraw/zinc/70/39/48/943703948.db2.gz PBMDQTAJSJBMMO-KYFMZXIUSA-N 1 2 256.305 1.054 20 30 CDEDLO C[C@H](CC#N)N(C)c1nnc([C@H]2CCC[N@@H+]2C)n1C ZINC001262858300 943704064 /nfs/dbraw/zinc/70/40/64/943704064.db2.gz YSLWSQAUUZRTTI-GHMZBOCLSA-N 1 2 262.361 1.320 20 30 CDEDLO C[C@H](CC#N)N(C)c1nnc([C@H]2CCC[N@H+]2C)n1C ZINC001262858300 943704068 /nfs/dbraw/zinc/70/40/68/943704068.db2.gz YSLWSQAUUZRTTI-GHMZBOCLSA-N 1 2 262.361 1.320 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@H]2CN(C)C(=O)C#CC2CC2)ncn1 ZINC001234179712 943767351 /nfs/dbraw/zinc/76/73/51/943767351.db2.gz YCJYBPVSULEXJE-INIZCTEOSA-N 1 2 298.390 1.231 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@H]2CN(C)C(=O)C#CC2CC2)ncn1 ZINC001234179712 943767359 /nfs/dbraw/zinc/76/73/59/943767359.db2.gz YCJYBPVSULEXJE-INIZCTEOSA-N 1 2 298.390 1.231 20 30 CDEDLO C#CCO[C@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1C/C=C\Cl ZINC001234265939 943786416 /nfs/dbraw/zinc/78/64/16/943786416.db2.gz MZYVKYNEUIGEPV-WFMXKNRHSA-N 1 2 284.787 1.310 20 30 CDEDLO C#CCO[C@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1C/C=C\Cl ZINC001234265939 943786422 /nfs/dbraw/zinc/78/64/22/943786422.db2.gz MZYVKYNEUIGEPV-WFMXKNRHSA-N 1 2 284.787 1.310 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@]1(C)CC=CCC1 ZINC001234517967 943875741 /nfs/dbraw/zinc/87/57/41/943875741.db2.gz RTCSPRRHALUUDN-ZBFHGGJFSA-N 1 2 260.381 1.899 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@]1(C)CC=CCC1 ZINC001234517967 943875730 /nfs/dbraw/zinc/87/57/30/943875730.db2.gz RTCSPRRHALUUDN-ZBFHGGJFSA-N 1 2 260.381 1.899 20 30 CDEDLO COCCOCN1CC[C@]2(C1)CCC[N@H+](CCC#N)C2 ZINC001277938675 944130729 /nfs/dbraw/zinc/13/07/29/944130729.db2.gz DBKBDVBSSSZUJQ-OAHLLOKOSA-N 1 2 281.400 1.308 20 30 CDEDLO COCCOCN1CC[C@]2(C1)CCC[N@@H+](CCC#N)C2 ZINC001277938675 944130731 /nfs/dbraw/zinc/13/07/31/944130731.db2.gz DBKBDVBSSSZUJQ-OAHLLOKOSA-N 1 2 281.400 1.308 20 30 CDEDLO N#Cc1cc(F)c(C[N@H+]2CCC[C@@H]2CO)c(F)c1 ZINC001235650487 944231477 /nfs/dbraw/zinc/23/14/77/944231477.db2.gz FRDPDJQYABESIM-SNVBAGLBSA-N 1 2 252.264 1.793 20 30 CDEDLO N#Cc1cc(F)c(C[N@@H+]2CCC[C@@H]2CO)c(F)c1 ZINC001235650487 944231480 /nfs/dbraw/zinc/23/14/80/944231480.db2.gz FRDPDJQYABESIM-SNVBAGLBSA-N 1 2 252.264 1.793 20 30 CDEDLO N#Cc1cc(F)c(C[NH+]2CC(C3COC3)C2)c(F)c1 ZINC001235651762 944233226 /nfs/dbraw/zinc/23/32/26/944233226.db2.gz YIEGNHPVDRNSQN-UHFFFAOYSA-N 1 2 264.275 1.915 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)ccn1 ZINC001237466751 944799227 /nfs/dbraw/zinc/79/92/27/944799227.db2.gz QMYGTBYRNZWLQE-AWEZNQCLSA-N 1 2 272.308 1.028 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)ccn1 ZINC001237466751 944799240 /nfs/dbraw/zinc/79/92/40/944799240.db2.gz QMYGTBYRNZWLQE-AWEZNQCLSA-N 1 2 272.308 1.028 20 30 CDEDLO N#Cc1cc(O)ccc1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001237707032 944934317 /nfs/dbraw/zinc/93/43/17/944934317.db2.gz VYSXFXCYODXDCW-UHFFFAOYSA-N 1 2 295.364 1.005 20 30 CDEDLO N#Cc1cccc(Cn2[nH]c(C3C[NH2+]C3)cc2=O)c1 ZINC001245927853 947850552 /nfs/dbraw/zinc/85/05/52/947850552.db2.gz VUWJTOVJLPVTBC-UHFFFAOYSA-N 1 2 254.293 1.195 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+]C1CCC2(CC1)OCCO2 ZINC001255613145 948030665 /nfs/dbraw/zinc/03/06/65/948030665.db2.gz FJHUVQISRWYDNW-NSHDSACASA-N 1 2 289.397 1.123 20 30 CDEDLO N#Cc1cccc(-c2noc([C@H](CO)n3cc[nH+]c3)n2)c1 ZINC001247260361 948609306 /nfs/dbraw/zinc/60/93/06/948609306.db2.gz DJIJTBRNFUVAPU-LBPRGKRZSA-N 1 2 281.275 1.386 20 30 CDEDLO C#CC[C@H]([NH2+][C@@H](C)CCCC(=O)OCC)C(=O)OC ZINC001258113244 948706656 /nfs/dbraw/zinc/70/66/56/948706656.db2.gz UDONBTAHOFPPGW-RYUDHWBXSA-N 1 2 269.341 1.263 20 30 CDEDLO C=CC[C@@](C)([NH2+][C@H](C)CCC(=O)OCC)C(=O)OC ZINC001258488554 948887315 /nfs/dbraw/zinc/88/73/15/948887315.db2.gz XHNWYAARNKRWAR-BXUZGUMPSA-N 1 2 271.357 1.816 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1C1CCN(c2ccccc2)CC1 ZINC001258510241 948917691 /nfs/dbraw/zinc/91/76/91/948917691.db2.gz AYXJDDZXQDONPI-MRXNPFEDSA-N 1 2 270.380 1.453 20 30 CDEDLO C#CCOC[C@@H](O)C[NH2+][C@H](C(=O)OC(C)(C)C)C(C)(C)C ZINC001251900266 950937399 /nfs/dbraw/zinc/93/73/99/950937399.db2.gz MQHZMCOERLMKNO-QWHCGFSZSA-N 1 2 299.411 1.343 20 30 CDEDLO C=CCOC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001251993968 951036333 /nfs/dbraw/zinc/03/63/33/951036333.db2.gz XGBHXOITDRPFGH-OAHLLOKOSA-N 1 2 290.363 1.660 20 30 CDEDLO C=CCOC[C@H](O)CNc1cccc(-n2cc[nH+]c2)c1 ZINC001252470976 951324487 /nfs/dbraw/zinc/32/44/87/951324487.db2.gz AJWAYGXVAKDEDJ-OAHLLOKOSA-N 1 2 273.336 1.848 20 30 CDEDLO C=C[C@@](C)(O)C[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC001252554621 951447433 /nfs/dbraw/zinc/44/74/33/951447433.db2.gz IQQJORRYGIFAIM-WCQYABFASA-N 1 2 251.330 1.842 20 30 CDEDLO C=C[C@@](C)(O)C[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC001252554621 951447439 /nfs/dbraw/zinc/44/74/39/951447439.db2.gz IQQJORRYGIFAIM-WCQYABFASA-N 1 2 251.330 1.842 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCOC[C@H]1c1cccnc1 ZINC001252602574 951495233 /nfs/dbraw/zinc/49/52/33/951495233.db2.gz UTUPKZXAEBCGFI-GJZGRUSLSA-N 1 2 262.353 1.782 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCOC[C@H]1c1cccnc1 ZINC001252602574 951495243 /nfs/dbraw/zinc/49/52/43/951495243.db2.gz UTUPKZXAEBCGFI-GJZGRUSLSA-N 1 2 262.353 1.782 20 30 CDEDLO C=CCC[C@H](O)C[NH2+][C@@H](C(=O)OCC)[C@@H](C)CC ZINC001252620839 951513229 /nfs/dbraw/zinc/51/32/29/951513229.db2.gz PCLSRXZBQCAZSK-RWMBFGLXSA-N 1 2 257.374 1.881 20 30 CDEDLO C=CCC[C@H](O)C[NH2+]C1(c2ccccc2OC)COC1 ZINC001252621495 951514006 /nfs/dbraw/zinc/51/40/06/951514006.db2.gz DGMKKQLKADCWRQ-ZDUSSCGKSA-N 1 2 277.364 1.837 20 30 CDEDLO C=C[C@H](O)CNc1[nH+]c2ccccc2n1CCNC(C)=O ZINC001253573126 951959863 /nfs/dbraw/zinc/95/98/63/951959863.db2.gz RLJAQIDXQLSPEW-LBPRGKRZSA-N 1 2 288.351 1.131 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1occc1C(=O)OC ZINC001324515720 953423039 /nfs/dbraw/zinc/42/30/39/953423039.db2.gz GRSLETRQCFDUIA-UHFFFAOYSA-N 1 2 251.282 1.148 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1occc1C(=O)OC ZINC001324515720 953423043 /nfs/dbraw/zinc/42/30/43/953423043.db2.gz GRSLETRQCFDUIA-UHFFFAOYSA-N 1 2 251.282 1.148 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1c(C)n[nH]c1C ZINC001493057193 971934957 /nfs/dbraw/zinc/93/49/57/971934957.db2.gz NBOGZZBGFDNYAR-UHFFFAOYSA-N 1 2 298.818 1.760 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1c(C)n[nH]c1C ZINC001493057193 971934959 /nfs/dbraw/zinc/93/49/59/971934959.db2.gz NBOGZZBGFDNYAR-UHFFFAOYSA-N 1 2 298.818 1.760 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1nccs1 ZINC001493280245 972007612 /nfs/dbraw/zinc/00/76/12/972007612.db2.gz MEZLYXAYWSRYFV-NSHDSACASA-N 1 2 280.397 1.631 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1nccs1 ZINC001493280245 972007619 /nfs/dbraw/zinc/00/76/19/972007619.db2.gz MEZLYXAYWSRYFV-NSHDSACASA-N 1 2 280.397 1.631 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1[nH]c(=O)[nH]c1C ZINC001422514051 956111351 /nfs/dbraw/zinc/11/13/51/956111351.db2.gz GKXRVPAFIKSOQO-MRVPVSSYSA-N 1 2 286.763 1.226 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1[nH]c(=O)[nH]c1C ZINC001422514051 956111355 /nfs/dbraw/zinc/11/13/55/956111355.db2.gz GKXRVPAFIKSOQO-MRVPVSSYSA-N 1 2 286.763 1.226 20 30 CDEDLO CCc1[nH]c(CNC(=O)C#Cc2cccs2)c[nH+]1 ZINC001303974798 956139493 /nfs/dbraw/zinc/13/94/93/956139493.db2.gz NIHZGLPQKUXVPB-UHFFFAOYSA-N 1 2 259.334 1.702 20 30 CDEDLO CCc1[nH]cc(CNC(=O)C#Cc2cccs2)[nH+]1 ZINC001303974798 956139502 /nfs/dbraw/zinc/13/95/02/956139502.db2.gz NIHZGLPQKUXVPB-UHFFFAOYSA-N 1 2 259.334 1.702 20 30 CDEDLO N#Cc1cc(C(=O)NCCNc2cccc[nH+]2)co1 ZINC001306264946 956314669 /nfs/dbraw/zinc/31/46/69/956314669.db2.gz DAIPYOBMLBJENB-UHFFFAOYSA-N 1 2 256.265 1.388 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC001307657861 956427666 /nfs/dbraw/zinc/42/76/66/956427666.db2.gz WIJNWCPBTRTGAY-UHFFFAOYSA-N 1 2 250.346 1.115 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC001307657861 956427674 /nfs/dbraw/zinc/42/76/74/956427674.db2.gz WIJNWCPBTRTGAY-UHFFFAOYSA-N 1 2 250.346 1.115 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1cscn1 ZINC001422888534 956428540 /nfs/dbraw/zinc/42/85/40/956428540.db2.gz GFWNKKLIVQPYIT-SNVBAGLBSA-N 1 2 287.816 1.875 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1cscn1 ZINC001422888534 956428548 /nfs/dbraw/zinc/42/85/48/956428548.db2.gz GFWNKKLIVQPYIT-SNVBAGLBSA-N 1 2 287.816 1.875 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)COC2CCCC2)C1 ZINC001365995799 956496522 /nfs/dbraw/zinc/49/65/22/956496522.db2.gz ZWMJKGMJQOXVQV-LBPRGKRZSA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)COC2CCCC2)C1 ZINC001365995799 956496532 /nfs/dbraw/zinc/49/65/32/956496532.db2.gz ZWMJKGMJQOXVQV-LBPRGKRZSA-N 1 2 286.803 1.889 20 30 CDEDLO C=CC[C@@H]([NH2+]CCCc1cnn(C)c1)C(=O)OCC ZINC001331727777 957231644 /nfs/dbraw/zinc/23/16/44/957231644.db2.gz HYRNWFKPASVQEP-CYBMUJFWSA-N 1 2 265.357 1.450 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)Cn2nc(C)cc2C)C1 ZINC001366966787 957307571 /nfs/dbraw/zinc/30/75/71/957307571.db2.gz FKFKMVOTJVRAIS-UHFFFAOYSA-N 1 2 296.802 1.300 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)Cc2cc(C)on2)C1 ZINC001368149402 958668534 /nfs/dbraw/zinc/66/85/34/958668534.db2.gz GQONSPDVFLLMJG-AWEZNQCLSA-N 1 2 297.786 1.859 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)Cc2cc(C)on2)C1 ZINC001368149402 958668541 /nfs/dbraw/zinc/66/85/41/958668541.db2.gz GQONSPDVFLLMJG-AWEZNQCLSA-N 1 2 297.786 1.859 20 30 CDEDLO Cc1nc(C(=O)OCCn2cc[nH+]c2)ccc1C#N ZINC001320558963 959241763 /nfs/dbraw/zinc/24/17/63/959241763.db2.gz UQDSWFOTBXDAFM-UHFFFAOYSA-N 1 2 256.265 1.315 20 30 CDEDLO N#CCOc1cc(F)ccc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001433818364 960653461 /nfs/dbraw/zinc/65/34/61/960653461.db2.gz SFLLYRBRPPXLQC-UHFFFAOYSA-N 1 2 274.255 1.632 20 30 CDEDLO Cc1cc(N)nc(SCc2cc(C#N)ccn2)[nH+]1 ZINC001559343029 960744420 /nfs/dbraw/zinc/74/44/20/960744420.db2.gz CQCRFSRXPBANPM-UHFFFAOYSA-N 1 2 257.322 1.926 20 30 CDEDLO C=C[C@H](COC)[NH2+]Cc1ncc(C2OCCO2)s1 ZINC001323965844 961074545 /nfs/dbraw/zinc/07/45/45/961074545.db2.gz RHGRRIUCQAALFD-SECBINFHSA-N 1 2 270.354 1.479 20 30 CDEDLO COC(=O)C[N@H+](CC(C)C)C[C@H](O)c1cccc(C#N)c1 ZINC001434460931 961441198 /nfs/dbraw/zinc/44/11/98/961441198.db2.gz KXRVYKWCQUWVFL-HNNXBMFYSA-N 1 2 290.363 1.723 20 30 CDEDLO COC(=O)C[N@@H+](CC(C)C)C[C@H](O)c1cccc(C#N)c1 ZINC001434460931 961441210 /nfs/dbraw/zinc/44/12/10/961441210.db2.gz KXRVYKWCQUWVFL-HNNXBMFYSA-N 1 2 290.363 1.723 20 30 CDEDLO C=CC[C@H](NCc1cccc2[nH+]ccn21)C(=O)OCC ZINC001339096942 962170001 /nfs/dbraw/zinc/17/00/01/962170001.db2.gz ZDUIFHOBEFXSDN-ZDUSSCGKSA-N 1 2 273.336 1.932 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnn(C)c1C1CC1 ZINC001437568297 963023924 /nfs/dbraw/zinc/02/39/24/963023924.db2.gz HEYNZANGJZUJGP-UHFFFAOYSA-N 1 2 296.802 1.712 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnn(C)c1C1CC1 ZINC001437568297 963023938 /nfs/dbraw/zinc/02/39/38/963023938.db2.gz HEYNZANGJZUJGP-UHFFFAOYSA-N 1 2 296.802 1.712 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccnc(C)n1 ZINC001420661300 963169912 /nfs/dbraw/zinc/16/99/12/963169912.db2.gz YZKUQGUUQUQCFQ-SNVBAGLBSA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccnc(C)n1 ZINC001420661300 963169921 /nfs/dbraw/zinc/16/99/21/963169921.db2.gz YZKUQGUUQUQCFQ-SNVBAGLBSA-N 1 2 282.775 1.588 20 30 CDEDLO C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)[C@@H](C)CC#N ZINC001342299095 963702656 /nfs/dbraw/zinc/70/26/56/963702656.db2.gz MBGORJLSSFUMSB-STQMWFEESA-N 1 2 288.399 1.969 20 30 CDEDLO C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)[C@@H](C)CC#N ZINC001342299095 963702660 /nfs/dbraw/zinc/70/26/60/963702660.db2.gz MBGORJLSSFUMSB-STQMWFEESA-N 1 2 288.399 1.969 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1Cc2ccccc2O1 ZINC001442475187 965082164 /nfs/dbraw/zinc/08/21/64/965082164.db2.gz UEBWWTUOTLGESK-CQSZACIVSA-N 1 2 294.782 1.791 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1Cc2ccccc2O1 ZINC001442475187 965082175 /nfs/dbraw/zinc/08/21/75/965082175.db2.gz UEBWWTUOTLGESK-CQSZACIVSA-N 1 2 294.782 1.791 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)Nc1cc(CC#N)ccn1 ZINC001346687112 965213559 /nfs/dbraw/zinc/21/35/59/965213559.db2.gz GKAKVMOWHIWHAR-UHFFFAOYSA-N 1 2 269.308 1.452 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCCO1 ZINC001444970074 966032554 /nfs/dbraw/zinc/03/25/54/966032554.db2.gz IZVZLTMMGSQGIJ-GFCCVEGCSA-N 1 2 274.792 1.698 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCCO1 ZINC001444970074 966032563 /nfs/dbraw/zinc/03/25/63/966032563.db2.gz IZVZLTMMGSQGIJ-GFCCVEGCSA-N 1 2 274.792 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1cncs1 ZINC001448042768 966975061 /nfs/dbraw/zinc/97/50/61/966975061.db2.gz PBWFDSDMKQJESI-SNVBAGLBSA-N 1 2 287.816 1.875 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1cncs1 ZINC001448042768 966975067 /nfs/dbraw/zinc/97/50/67/966975067.db2.gz PBWFDSDMKQJESI-SNVBAGLBSA-N 1 2 287.816 1.875 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC001543797678 967318642 /nfs/dbraw/zinc/31/86/42/967318642.db2.gz WGXVPIXEJSVQHY-UHFFFAOYSA-N 1 2 255.281 1.088 20 30 CDEDLO C=CC[NH+]1CCN(C(=S)NC[C@@H](C)CC)CC1 ZINC001200252699 967754784 /nfs/dbraw/zinc/75/47/84/967754784.db2.gz QHUMOWHRZNHLFO-LBPRGKRZSA-N 1 2 255.431 1.711 20 30 CDEDLO N#Cc1ccc(C[NH2+]Cc2ccc(Cl)nn2)nc1 ZINC001462304902 969682245 /nfs/dbraw/zinc/68/22/45/969682245.db2.gz ITFIKXQQQXIZNU-UHFFFAOYSA-N 1 2 259.700 1.686 20 30 CDEDLO Cc1ncsc1CC[NH+]1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001415820756 972768420 /nfs/dbraw/zinc/76/84/20/972768420.db2.gz VLHZJOARIUWOHD-NSHDSACASA-N 1 2 292.408 1.298 20 30 CDEDLO CC(C)c1nc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C)C#N)C2)no1 ZINC001418048348 973550148 /nfs/dbraw/zinc/55/01/48/973550148.db2.gz FAMICQZTNMDKND-DCAQKATOSA-N 1 2 291.355 1.089 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)COc1ccccc1 ZINC001377246524 974944470 /nfs/dbraw/zinc/94/44/70/974944470.db2.gz WYWXLHZSFIPUHL-UHFFFAOYSA-N 1 2 282.771 1.866 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)COc1ccccc1 ZINC001377246524 974944472 /nfs/dbraw/zinc/94/44/72/974944472.db2.gz WYWXLHZSFIPUHL-UHFFFAOYSA-N 1 2 282.771 1.866 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCOC(C)C)C1 ZINC001404852909 975511243 /nfs/dbraw/zinc/51/12/43/975511243.db2.gz GKHDHTUEWNQDMW-UHFFFAOYSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]cn1 ZINC001401773007 975894073 /nfs/dbraw/zinc/89/40/73/975894073.db2.gz BQAFUNIFSYNMAF-SNVBAGLBSA-N 1 2 270.764 1.141 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]cn1 ZINC001401773007 975894079 /nfs/dbraw/zinc/89/40/79/975894079.db2.gz BQAFUNIFSYNMAF-SNVBAGLBSA-N 1 2 270.764 1.141 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(C(N)=O)o1 ZINC001379701895 976019020 /nfs/dbraw/zinc/01/90/20/976019020.db2.gz LKZPVWYOONJARP-VIFPVBQESA-N 1 2 299.758 1.181 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(C(N)=O)o1 ZINC001379701895 976019031 /nfs/dbraw/zinc/01/90/31/976019031.db2.gz LKZPVWYOONJARP-VIFPVBQESA-N 1 2 299.758 1.181 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cc1ccn(CC)n1 ZINC001399487437 976523924 /nfs/dbraw/zinc/52/39/24/976523924.db2.gz XIWUZWCKCQNDMM-UHFFFAOYSA-N 1 2 284.791 1.246 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cc1ccn(CC)n1 ZINC001399487437 976523936 /nfs/dbraw/zinc/52/39/36/976523936.db2.gz XIWUZWCKCQNDMM-UHFFFAOYSA-N 1 2 284.791 1.246 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cncc(COC)c1 ZINC001403586956 977086107 /nfs/dbraw/zinc/08/61/07/977086107.db2.gz YFKHCRLLQFNJDB-UHFFFAOYSA-N 1 2 297.786 1.642 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cncc(COC)c1 ZINC001403586956 977086121 /nfs/dbraw/zinc/08/61/21/977086121.db2.gz YFKHCRLLQFNJDB-UHFFFAOYSA-N 1 2 297.786 1.642 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1csnn1 ZINC001392678222 977543613 /nfs/dbraw/zinc/54/36/13/977543613.db2.gz IBFUDDTXRHUUDH-QMMMGPOBSA-N 1 2 274.777 1.341 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1csnn1 ZINC001392678222 977543622 /nfs/dbraw/zinc/54/36/22/977543622.db2.gz IBFUDDTXRHUUDH-QMMMGPOBSA-N 1 2 274.777 1.341 20 30 CDEDLO Cc1nonc1C[NH+]1CCC(C)(NC(=O)[C@@H](C)C#N)CC1 ZINC001393056303 977688308 /nfs/dbraw/zinc/68/83/08/977688308.db2.gz DMVGTWNFSHVJRK-JTQLQIEISA-N 1 2 291.355 1.008 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1snnc1C ZINC001394037733 978018410 /nfs/dbraw/zinc/01/84/10/978018410.db2.gz UGRABDPSJZUIOG-QMMMGPOBSA-N 1 2 288.804 1.649 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1snnc1C ZINC001394037733 978018416 /nfs/dbraw/zinc/01/84/16/978018416.db2.gz UGRABDPSJZUIOG-QMMMGPOBSA-N 1 2 288.804 1.649 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001132401608 1163269708 /nfs/dbraw/zinc/26/97/08/1163269708.db2.gz BGDSYOJDAXXQCR-UHFFFAOYSA-N 1 2 278.356 1.365 20 30 CDEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1cnsn1 ZINC001132569779 1163378969 /nfs/dbraw/zinc/37/89/69/1163378969.db2.gz YNOORPWXQHWWBB-ZJUUUORDSA-N 1 2 268.386 1.202 20 30 CDEDLO Cc1cc(C#N)cc(C)c1OC[C@@H]1C[N@H+](C)CCO1 ZINC000092056314 1174354375 /nfs/dbraw/zinc/35/43/75/1174354375.db2.gz HKYDFTCOFXNYMH-AWEZNQCLSA-N 1 2 260.337 1.885 20 30 CDEDLO Cc1cc(C#N)cc(C)c1OC[C@@H]1C[N@@H+](C)CCO1 ZINC000092056314 1174354379 /nfs/dbraw/zinc/35/43/79/1174354379.db2.gz HKYDFTCOFXNYMH-AWEZNQCLSA-N 1 2 260.337 1.885 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([NH2+]Cc2c[nH]nn2)[C@@H](CC)C1 ZINC001575085053 1171107556 /nfs/dbraw/zinc/10/75/56/1171107556.db2.gz DOSXOQBUZSIIIE-GXTWGEPZSA-N 1 2 291.399 1.488 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([NH2+]Cc2cn[nH]n2)[C@@H](CC)C1 ZINC001575085053 1171107559 /nfs/dbraw/zinc/10/75/59/1171107559.db2.gz DOSXOQBUZSIIIE-GXTWGEPZSA-N 1 2 291.399 1.488 20 30 CDEDLO CCOC(=O)C[N@@H+]1CCCN(c2ccnc(C#N)c2)CC1 ZINC000587983891 342488612 /nfs/dbraw/zinc/48/86/12/342488612.db2.gz GKKOJJLROKQXOE-UHFFFAOYSA-N 1 2 288.351 1.028 20 30 CDEDLO CCOC(=O)C[N@H+]1CCCN(c2ccnc(C#N)c2)CC1 ZINC000587983891 342488613 /nfs/dbraw/zinc/48/86/13/342488613.db2.gz GKKOJJLROKQXOE-UHFFFAOYSA-N 1 2 288.351 1.028 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(S(N)(=O)=O)cc1 ZINC000589308272 342503553 /nfs/dbraw/zinc/50/35/53/342503553.db2.gz AJCDXIZCNMAQHQ-SNVBAGLBSA-N 1 2 267.354 1.068 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(S(N)(=O)=O)cc1 ZINC000589308272 342503554 /nfs/dbraw/zinc/50/35/54/342503554.db2.gz AJCDXIZCNMAQHQ-SNVBAGLBSA-N 1 2 267.354 1.068 20 30 CDEDLO CC[C@H](F)C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000590013587 342520345 /nfs/dbraw/zinc/52/03/45/342520345.db2.gz HQDSVEYKZZPXHA-ZDUSSCGKSA-N 1 2 262.332 1.823 20 30 CDEDLO N#CCCOCC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000590161796 342523656 /nfs/dbraw/zinc/52/36/56/342523656.db2.gz XXBCSFOKEKDUMZ-GFCCVEGCSA-N 1 2 250.298 1.583 20 30 CDEDLO N#CCCOCC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000590161796 342523657 /nfs/dbraw/zinc/52/36/57/342523657.db2.gz XXBCSFOKEKDUMZ-GFCCVEGCSA-N 1 2 250.298 1.583 20 30 CDEDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)CC1(C#N)CC1 ZINC000601427907 342561824 /nfs/dbraw/zinc/56/18/24/342561824.db2.gz GWAIWALLCIATGF-SNVBAGLBSA-N 1 2 282.369 1.187 20 30 CDEDLO O=C(NCC#Cc1ccccc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000438565901 361744433 /nfs/dbraw/zinc/74/44/33/361744433.db2.gz DYDMKGJIJWEMKK-OAHLLOKOSA-N 1 2 279.343 1.613 20 30 CDEDLO CO[C@](C)(C(=O)NC[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000329681973 361758322 /nfs/dbraw/zinc/75/83/22/361758322.db2.gz XEGYULMAJUVPCH-YPMHNXCESA-N 1 2 256.346 1.089 20 30 CDEDLO CO[C@](C)(C(=O)NC[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000329681973 361758328 /nfs/dbraw/zinc/75/83/28/361758328.db2.gz XEGYULMAJUVPCH-YPMHNXCESA-N 1 2 256.346 1.089 20 30 CDEDLO CCC#C[C@H](C)[NH+]1CCC(C(=O)OCC)([S@](C)=O)CC1 ZINC000590747343 342587038 /nfs/dbraw/zinc/58/70/38/342587038.db2.gz WRAYQKHTACROGR-RBZFPXEDSA-N 1 2 299.436 1.565 20 30 CDEDLO C#CC[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000045911343 342126954 /nfs/dbraw/zinc/12/69/54/342126954.db2.gz HTUAYAWYFINQPG-UHFFFAOYSA-N 1 2 269.270 1.856 20 30 CDEDLO CC[NH+]1CCC(N2N=C(c3cccc(C#N)c3)CC2=O)CC1 ZINC000601938014 342145760 /nfs/dbraw/zinc/14/57/60/342145760.db2.gz FIDMODDNAHWKHE-UHFFFAOYSA-N 1 2 296.374 1.979 20 30 CDEDLO CC[NH+]1CCC(n2[nH]c(-c3cccc(C#N)c3)cc2=O)CC1 ZINC000601938014 342145761 /nfs/dbraw/zinc/14/57/61/342145761.db2.gz FIDMODDNAHWKHE-UHFFFAOYSA-N 1 2 296.374 1.979 20 30 CDEDLO CN(C[C@H]1C[N@H+](C)CCO1)c1ncc2c(c1C#N)CCC2 ZINC000591820332 342647472 /nfs/dbraw/zinc/64/74/72/342647472.db2.gz MJAZNTFOZCHSSQ-CYBMUJFWSA-N 1 2 286.379 1.209 20 30 CDEDLO CN(C[C@H]1C[N@@H+](C)CCO1)c1ncc2c(c1C#N)CCC2 ZINC000591820332 342647473 /nfs/dbraw/zinc/64/74/73/342647473.db2.gz MJAZNTFOZCHSSQ-CYBMUJFWSA-N 1 2 286.379 1.209 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCOc2ccccc2C1 ZINC000077234064 342148806 /nfs/dbraw/zinc/14/88/06/342148806.db2.gz OOKKRRXBPIFSDA-UHFFFAOYSA-N 1 2 287.363 1.643 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCOc2ccccc2C1 ZINC000077234064 342148807 /nfs/dbraw/zinc/14/88/07/342148807.db2.gz OOKKRRXBPIFSDA-UHFFFAOYSA-N 1 2 287.363 1.643 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)COc1ccc(F)cc1 ZINC000064796156 342166588 /nfs/dbraw/zinc/16/65/88/342166588.db2.gz VKDZRMRGOZQYBE-YPMHNXCESA-N 1 2 266.316 1.657 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)COc1ccc(F)cc1 ZINC000064796156 342166589 /nfs/dbraw/zinc/16/65/89/342166589.db2.gz VKDZRMRGOZQYBE-YPMHNXCESA-N 1 2 266.316 1.657 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)[C@@H](C)CO1 ZINC000593061477 342760955 /nfs/dbraw/zinc/76/09/55/342760955.db2.gz BZMKLKMETRRCKX-UONOGXRCSA-N 1 2 293.411 1.828 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)[C@@H](C)CO1 ZINC000593061477 342760956 /nfs/dbraw/zinc/76/09/56/342760956.db2.gz BZMKLKMETRRCKX-UONOGXRCSA-N 1 2 293.411 1.828 20 30 CDEDLO C[C@H](CCO)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000593107422 342768825 /nfs/dbraw/zinc/76/88/25/342768825.db2.gz JNTXOBPVDYGNEQ-GFCCVEGCSA-N 1 2 296.392 1.035 20 30 CDEDLO C[C@H](CCO)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000593107422 342768826 /nfs/dbraw/zinc/76/88/26/342768826.db2.gz JNTXOBPVDYGNEQ-GFCCVEGCSA-N 1 2 296.392 1.035 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCOCc1ccccc1 ZINC000593155257 342774496 /nfs/dbraw/zinc/77/44/96/342774496.db2.gz GHDIOYCPKXJYMX-MRXNPFEDSA-N 1 2 289.379 1.553 20 30 CDEDLO C[C@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1C ZINC000329719515 361933409 /nfs/dbraw/zinc/93/34/09/361933409.db2.gz MMZCUIXUNVMIJX-OUAUKWLOSA-N 1 2 262.357 1.769 20 30 CDEDLO C[C@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1C ZINC000329719515 361933414 /nfs/dbraw/zinc/93/34/14/361933414.db2.gz MMZCUIXUNVMIJX-OUAUKWLOSA-N 1 2 262.357 1.769 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000593998763 342862066 /nfs/dbraw/zinc/86/20/66/342862066.db2.gz YGPZZEBKDQMSTJ-QWHCGFSZSA-N 1 2 277.368 1.573 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000593998763 342862067 /nfs/dbraw/zinc/86/20/67/342862067.db2.gz YGPZZEBKDQMSTJ-QWHCGFSZSA-N 1 2 277.368 1.573 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000594008950 342862923 /nfs/dbraw/zinc/86/29/23/342862923.db2.gz RKDQNDTUXMKQIS-RBSFLKMASA-N 1 2 295.427 1.980 20 30 CDEDLO COc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(C#N)cn1 ZINC000593972968 342863283 /nfs/dbraw/zinc/86/32/83/342863283.db2.gz XMDSVHCZGJAWSG-OAHLLOKOSA-N 1 2 283.331 1.785 20 30 CDEDLO CC[C@H](C#N)C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000594361115 342895957 /nfs/dbraw/zinc/89/59/57/342895957.db2.gz XBGJJRWYWLTZKO-LLVKDONJSA-N 1 2 273.327 1.629 20 30 CDEDLO N#Cc1ccc2c(c1)CN(c1nc[nH+]c3c1OCCN3)C2 ZINC000594604564 342924575 /nfs/dbraw/zinc/92/45/75/342924575.db2.gz VFHHOPVQKOPBQE-UHFFFAOYSA-N 1 2 279.303 1.673 20 30 CDEDLO N#Cc1ccc2c(c1)CN(c1[nH+]cnc3c1OCCN3)C2 ZINC000594604564 342924577 /nfs/dbraw/zinc/92/45/77/342924577.db2.gz VFHHOPVQKOPBQE-UHFFFAOYSA-N 1 2 279.303 1.673 20 30 CDEDLO N#Cc1ccccc1-n1cc(C[NH+]2CCSCC2)nn1 ZINC000594651859 342933483 /nfs/dbraw/zinc/93/34/83/342933483.db2.gz MTQVMFMIYDFDKB-UHFFFAOYSA-N 1 2 285.376 1.688 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000334710141 529488208 /nfs/dbraw/zinc/48/82/08/529488208.db2.gz HCQVGAHCAJGTMD-RISCZKNCSA-N 1 2 260.341 1.676 20 30 CDEDLO Cc1cc(N2CCN(C(=O)N(C)C)CC2)c(C#N)c[nH+]1 ZINC000401848232 343004964 /nfs/dbraw/zinc/00/49/64/343004964.db2.gz KMLGANTWYHPYDG-UHFFFAOYSA-N 1 2 273.340 1.065 20 30 CDEDLO Cc1nocc1C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000595397509 343048237 /nfs/dbraw/zinc/04/82/37/343048237.db2.gz KCWQTZHNARGJOP-CQSZACIVSA-N 1 2 262.357 1.649 20 30 CDEDLO CN(C)c1ccc(C[NH+]2CCN(CCC#N)CC2)cn1 ZINC000595391449 343053654 /nfs/dbraw/zinc/05/36/54/343053654.db2.gz LSWYKLJOUCQKIM-UHFFFAOYSA-N 1 2 273.384 1.179 20 30 CDEDLO N#CCc1ccc(C[N@@H+]2CCOC[C@]23CCOC3)cc1 ZINC000441363589 362007455 /nfs/dbraw/zinc/00/74/55/362007455.db2.gz JTXMEQYQZLAZBW-MRXNPFEDSA-N 1 2 272.348 1.744 20 30 CDEDLO N#CCc1ccc(C[N@H+]2CCOC[C@]23CCOC3)cc1 ZINC000441363589 362007458 /nfs/dbraw/zinc/00/74/58/362007458.db2.gz JTXMEQYQZLAZBW-MRXNPFEDSA-N 1 2 272.348 1.744 20 30 CDEDLO Cc1nnc(C[N@H+](C)CCC(=O)Nc2ccccc2C#N)o1 ZINC000595704686 343127439 /nfs/dbraw/zinc/12/74/39/343127439.db2.gz NRFNVVSXGXXYGK-UHFFFAOYSA-N 1 2 299.334 1.710 20 30 CDEDLO Cc1nnc(C[N@@H+](C)CCC(=O)Nc2ccccc2C#N)o1 ZINC000595704686 343127441 /nfs/dbraw/zinc/12/74/41/343127441.db2.gz NRFNVVSXGXXYGK-UHFFFAOYSA-N 1 2 299.334 1.710 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(C#N)cc1 ZINC000048982487 342351353 /nfs/dbraw/zinc/35/13/53/342351353.db2.gz BNXAJQRPUHPPGH-GFCCVEGCSA-N 1 2 283.335 1.643 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(C#N)ccc2C)CC1 ZINC000085275234 342382536 /nfs/dbraw/zinc/38/25/36/342382536.db2.gz DCKBLYSPWWWWND-UHFFFAOYSA-N 1 2 296.374 1.056 20 30 CDEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000169256765 529775603 /nfs/dbraw/zinc/77/56/03/529775603.db2.gz MDUNVJNHKATUHH-UHFFFAOYSA-N 1 2 299.783 1.148 20 30 CDEDLO CN1CCOC[C@@H]1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000329006883 529780305 /nfs/dbraw/zinc/78/03/05/529780305.db2.gz YAFOKJWHPHBNMG-CYBMUJFWSA-N 1 2 288.351 1.164 20 30 CDEDLO Cc1c[nH]c(CN2CCN(c3cc(C#N)ccn3)CC2)[nH+]1 ZINC000600111501 349835124 /nfs/dbraw/zinc/83/51/24/349835124.db2.gz JJXDJQJXJCBXQM-UHFFFAOYSA-N 1 2 282.351 1.307 20 30 CDEDLO CC[C@](C)(C#N)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000597993195 343683243 /nfs/dbraw/zinc/68/32/43/343683243.db2.gz DHKHTWUJLDQWSO-MBNYWOFBSA-N 1 2 267.373 1.152 20 30 CDEDLO CC[C@](C)(C#N)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000597993195 343683244 /nfs/dbraw/zinc/68/32/44/343683244.db2.gz DHKHTWUJLDQWSO-MBNYWOFBSA-N 1 2 267.373 1.152 20 30 CDEDLO CN1CC[C@@H]([N@H+](C)CC(=O)NC2CCCC2)C1=O ZINC000329085974 529819533 /nfs/dbraw/zinc/81/95/33/529819533.db2.gz UPSZUFBACRSSDS-LLVKDONJSA-N 1 2 253.346 1.048 20 30 CDEDLO CN1CC[C@@H]([N@@H+](C)CC(=O)NC2CCCC2)C1=O ZINC000329085974 529819535 /nfs/dbraw/zinc/81/95/35/529819535.db2.gz UPSZUFBACRSSDS-LLVKDONJSA-N 1 2 253.346 1.048 20 30 CDEDLO C[C@@H](C#N)N(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000598132200 343723293 /nfs/dbraw/zinc/72/32/93/343723293.db2.gz RIAOZFITVLHRIU-QWRGUYRKSA-N 1 2 258.325 1.349 20 30 CDEDLO CCC#C[C@H](C)[NH+]1CCN(CC(=O)N[C@@H](C)CC)CC1 ZINC000677047077 482519451 /nfs/dbraw/zinc/51/94/51/482519451.db2.gz RDORGADZICADIF-GJZGRUSLSA-N 1 2 279.428 1.321 20 30 CDEDLO C[C@H](NC(=O)c1ccc(C#N)s1)c1[nH+]ccn1C ZINC000598464628 343805880 /nfs/dbraw/zinc/80/58/80/343805880.db2.gz KCTYTFFEKPNPBR-QMMMGPOBSA-N 1 2 260.322 1.844 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[S@](=O)CC1(C)C ZINC000598605637 343852112 /nfs/dbraw/zinc/85/21/12/343852112.db2.gz CHVKPQJSJANCTR-ZMZPIMSZSA-N 1 2 272.414 1.130 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[S@](=O)CC1(C)C ZINC000598605637 343852114 /nfs/dbraw/zinc/85/21/14/343852114.db2.gz CHVKPQJSJANCTR-ZMZPIMSZSA-N 1 2 272.414 1.130 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCc3cnc(N)nc3C2)c(Cl)c1 ZINC000598950108 343933695 /nfs/dbraw/zinc/93/36/95/343933695.db2.gz OMUOMDQHMPSZBR-UHFFFAOYSA-N 1 2 299.765 1.973 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCc3cnc(N)nc3C2)c(Cl)c1 ZINC000598950108 343933696 /nfs/dbraw/zinc/93/36/96/343933696.db2.gz OMUOMDQHMPSZBR-UHFFFAOYSA-N 1 2 299.765 1.973 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(CCO)CC1 ZINC000400971207 362386315 /nfs/dbraw/zinc/38/63/15/362386315.db2.gz JPFCXZHQBXUMSZ-UHFFFAOYSA-N 1 2 293.392 1.653 20 30 CDEDLO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000602332428 344402173 /nfs/dbraw/zinc/40/21/73/344402173.db2.gz JYHAKXWFGQBCSX-ROEYZRMQSA-N 1 2 267.373 1.006 20 30 CDEDLO COC(=O)c1ccc(C[N@H+](CCC#N)CC2CC2)n1C ZINC000602462462 344439276 /nfs/dbraw/zinc/43/92/76/344439276.db2.gz MYARMZWCCAXSQF-UHFFFAOYSA-N 1 2 275.352 1.937 20 30 CDEDLO COC(=O)c1ccc(C[N@@H+](CCC#N)CC2CC2)n1C ZINC000602462462 344439277 /nfs/dbraw/zinc/43/92/77/344439277.db2.gz MYARMZWCCAXSQF-UHFFFAOYSA-N 1 2 275.352 1.937 20 30 CDEDLO CC(C)(CN1CC[C@@](C)(C#N)C1)[NH+]1CCOCC1 ZINC000602717624 344556479 /nfs/dbraw/zinc/55/64/79/344556479.db2.gz HXNJWXYPBDBQTF-AWEZNQCLSA-N 1 2 251.374 1.333 20 30 CDEDLO C[C@]1(C#N)CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000612157772 347061332 /nfs/dbraw/zinc/06/13/32/347061332.db2.gz CGMMCQXWINGZTJ-DOTOQJQBSA-N 1 2 299.374 1.924 20 30 CDEDLO C[C@]1(C#N)CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000612157772 347061335 /nfs/dbraw/zinc/06/13/35/347061335.db2.gz CGMMCQXWINGZTJ-DOTOQJQBSA-N 1 2 299.374 1.924 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000602860396 344616182 /nfs/dbraw/zinc/61/61/82/344616182.db2.gz BJPCSCQPFNFUFI-QWRGUYRKSA-N 1 2 274.324 1.615 20 30 CDEDLO COc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC000602861266 344616562 /nfs/dbraw/zinc/61/65/62/344616562.db2.gz FTMLRZHDROBTGA-NWDGAFQWSA-N 1 2 275.352 1.592 20 30 CDEDLO Cc1ccsc1CNC(=O)C[NH2+][C@@H](C)CC#N ZINC000602861260 344616697 /nfs/dbraw/zinc/61/66/97/344616697.db2.gz GNYLTBBXZWSOEI-JTQLQIEISA-N 1 2 251.355 1.565 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000602860434 344616837 /nfs/dbraw/zinc/61/68/37/344616837.db2.gz DIFRECSIRXBVFU-MBNYWOFBSA-N 1 2 287.363 1.907 20 30 CDEDLO N#CC1(CN2C[C@@H]3C[C@H]2C[N@@H+]3CC2(C#N)CC2)CC1 ZINC000602988163 344677556 /nfs/dbraw/zinc/67/75/56/344677556.db2.gz AAMCQCLOCMEXIM-STQMWFEESA-N 1 2 256.353 1.352 20 30 CDEDLO N#CC1(CN2C[C@@H]3C[C@H]2C[N@H+]3CC2(C#N)CC2)CC1 ZINC000602988163 344677557 /nfs/dbraw/zinc/67/75/57/344677557.db2.gz AAMCQCLOCMEXIM-STQMWFEESA-N 1 2 256.353 1.352 20 30 CDEDLO C[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@](C)(C#N)C2)C1 ZINC000612155640 347062970 /nfs/dbraw/zinc/06/29/70/347062970.db2.gz XDSDGABMSWFMPR-ZFWWWQNUSA-N 1 2 263.385 1.871 20 30 CDEDLO C[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@](C)(C#N)C2)C1 ZINC000612155640 347062973 /nfs/dbraw/zinc/06/29/73/347062973.db2.gz XDSDGABMSWFMPR-ZFWWWQNUSA-N 1 2 263.385 1.871 20 30 CDEDLO CCOc1cccc(CNC(=O)C[NH2+][C@@H](C)CC#N)c1 ZINC000602864148 344637696 /nfs/dbraw/zinc/63/76/96/344637696.db2.gz QYKWAAYRFJEZQP-LBPRGKRZSA-N 1 2 275.352 1.593 20 30 CDEDLO CCOC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)CC#N ZINC000602869886 344640680 /nfs/dbraw/zinc/64/06/80/344640680.db2.gz QGOGSDJPMYZKLE-NSHDSACASA-N 1 2 289.335 1.694 20 30 CDEDLO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H](C)CC#N)c1C ZINC000602869811 344640800 /nfs/dbraw/zinc/64/08/00/344640800.db2.gz PDBWPYTZLPVGRI-KWQFWETISA-N 1 2 291.351 1.881 20 30 CDEDLO C[C@@]1(C#N)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000612161730 347064741 /nfs/dbraw/zinc/06/47/41/347064741.db2.gz DGNALPBOZHWFFP-LBPRGKRZSA-N 1 2 263.301 1.417 20 30 CDEDLO C[C@@]1(C#N)CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000612161730 347064744 /nfs/dbraw/zinc/06/47/44/347064744.db2.gz DGNALPBOZHWFFP-LBPRGKRZSA-N 1 2 263.301 1.417 20 30 CDEDLO CCOC(=O)CCC/[NH+]=C/c1c(CO)cnc(C)c1O ZINC000005110633 344941694 /nfs/dbraw/zinc/94/16/94/344941694.db2.gz NKAPYQLOLQFJII-OVCLIPMQSA-N 1 2 280.324 1.350 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cccc(C)n2)C1=O ZINC000337178124 345064875 /nfs/dbraw/zinc/06/48/75/345064875.db2.gz KGSFHLDVFMBYOT-CQSZACIVSA-N 1 2 259.353 1.609 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cccc(C)n2)C1=O ZINC000337178124 345064877 /nfs/dbraw/zinc/06/48/77/345064877.db2.gz KGSFHLDVFMBYOT-CQSZACIVSA-N 1 2 259.353 1.609 20 30 CDEDLO Cc1cccn2cc(CC(=O)Nc3ccc(C#N)cn3)[nH+]c12 ZINC000609503623 345129834 /nfs/dbraw/zinc/12/98/34/345129834.db2.gz RMSAPBAWEUPSRG-UHFFFAOYSA-N 1 2 291.314 1.513 20 30 CDEDLO N#CCCCS(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609542262 345596657 /nfs/dbraw/zinc/59/66/57/345596657.db2.gz GHCBWZGTMKYPCE-LBPRGKRZSA-N 1 2 282.369 1.154 20 30 CDEDLO C=CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H](C)COC ZINC000617581053 345866021 /nfs/dbraw/zinc/86/60/21/345866021.db2.gz JZCSSZWAUBEGLX-QWHCGFSZSA-N 1 2 277.368 1.495 20 30 CDEDLO C=CCOCCCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623306092 346026100 /nfs/dbraw/zinc/02/61/00/346026100.db2.gz GJYTVHYFMKPFQC-LBPRGKRZSA-N 1 2 263.341 1.297 20 30 CDEDLO C[C@@H](C#N)CN(C)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000357824725 346098687 /nfs/dbraw/zinc/09/86/87/346098687.db2.gz LRQMRPOVKGYHIW-CMPLNLGQSA-N 1 2 275.356 1.672 20 30 CDEDLO CC[C@H](C(=O)NC1(C#N)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000619877681 349941886 /nfs/dbraw/zinc/94/18/86/349941886.db2.gz SNDYYKVTSPLUBG-VXGBXAGGSA-N 1 2 265.357 1.048 20 30 CDEDLO CC[C@H](C(=O)NC1(C#N)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000619877681 349941882 /nfs/dbraw/zinc/94/18/82/349941882.db2.gz SNDYYKVTSPLUBG-VXGBXAGGSA-N 1 2 265.357 1.048 20 30 CDEDLO C[C@H]1C[N@H+](CCNc2c(C#N)nnc3ccccc32)CCO1 ZINC000610130397 346205390 /nfs/dbraw/zinc/20/53/90/346205390.db2.gz SJNFYHKDCKUMEM-LBPRGKRZSA-N 1 2 297.362 1.634 20 30 CDEDLO C[C@H]1C[N@@H+](CCNc2c(C#N)nnc3ccccc32)CCO1 ZINC000610130397 346205392 /nfs/dbraw/zinc/20/53/92/346205392.db2.gz SJNFYHKDCKUMEM-LBPRGKRZSA-N 1 2 297.362 1.634 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cnc(C3CC3)o2)nn1 ZINC000628318737 362697835 /nfs/dbraw/zinc/69/78/35/362697835.db2.gz QVYWQYQZGDLHJK-UHFFFAOYSA-N 1 2 259.313 1.619 20 30 CDEDLO COC(=O)c1ccc([C@@H](C)[NH+]2CCN(CCC#N)CC2)o1 ZINC000611374071 346772383 /nfs/dbraw/zinc/77/23/83/346772383.db2.gz JMTDHEFLMYURCX-GFCCVEGCSA-N 1 2 291.351 1.658 20 30 CDEDLO C#CCN(C(=O)N[C@@H](C)c1[nH+]ccn1CC)C1CC1 ZINC000491496309 347582946 /nfs/dbraw/zinc/58/29/46/347582946.db2.gz PLXUINJHOGFHML-NSHDSACASA-N 1 2 260.341 1.771 20 30 CDEDLO CCOC[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(C#N)cc1C ZINC000614403867 348101283 /nfs/dbraw/zinc/10/12/83/348101283.db2.gz UDMNNZXMPJIJAQ-HNNXBMFYSA-N 1 2 290.363 1.877 20 30 CDEDLO CCOC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000614403867 348101288 /nfs/dbraw/zinc/10/12/88/348101288.db2.gz UDMNNZXMPJIJAQ-HNNXBMFYSA-N 1 2 290.363 1.877 20 30 CDEDLO N#CCCC[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000066868006 349001581 /nfs/dbraw/zinc/00/15/81/349001581.db2.gz LLOZWUUZMZGWAJ-UHFFFAOYSA-N 1 2 289.354 1.816 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000066470228 348984733 /nfs/dbraw/zinc/98/47/33/348984733.db2.gz DMQWYSHMEQECFQ-NEPJUHHUSA-N 1 2 294.399 1.625 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000066470228 348984736 /nfs/dbraw/zinc/98/47/36/348984736.db2.gz DMQWYSHMEQECFQ-NEPJUHHUSA-N 1 2 294.399 1.625 20 30 CDEDLO Cc1cc(C#N)ccc1C(=O)N(C)C[C@@H]1C[N@H+](C)CCO1 ZINC000601738778 350001777 /nfs/dbraw/zinc/00/17/77/350001777.db2.gz ZIPYXIODPGOTSW-AWEZNQCLSA-N 1 2 287.363 1.269 20 30 CDEDLO Cc1cc(C#N)ccc1C(=O)N(C)C[C@@H]1C[N@@H+](C)CCO1 ZINC000601738778 350001782 /nfs/dbraw/zinc/00/17/82/350001782.db2.gz ZIPYXIODPGOTSW-AWEZNQCLSA-N 1 2 287.363 1.269 20 30 CDEDLO C[N@@H+](Cc1ncc[nH]1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000616012908 349241298 /nfs/dbraw/zinc/24/12/98/349241298.db2.gz BLTHWWWPRGEGRR-CYBMUJFWSA-N 1 2 286.335 1.153 20 30 CDEDLO C[N@H+](Cc1ncc[nH]1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000616012908 349241302 /nfs/dbraw/zinc/24/13/02/349241302.db2.gz BLTHWWWPRGEGRR-CYBMUJFWSA-N 1 2 286.335 1.153 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000616012908 349241306 /nfs/dbraw/zinc/24/13/06/349241306.db2.gz BLTHWWWPRGEGRR-CYBMUJFWSA-N 1 2 286.335 1.153 20 30 CDEDLO CCC[N@H+](CC(=O)OCC)Cc1cccc(C#N)n1 ZINC000602449445 350110371 /nfs/dbraw/zinc/11/03/71/350110371.db2.gz MNUFVIGAUPQDMF-UHFFFAOYSA-N 1 2 261.325 1.728 20 30 CDEDLO CCC[N@@H+](CC(=O)OCC)Cc1cccc(C#N)n1 ZINC000602449445 350110374 /nfs/dbraw/zinc/11/03/74/350110374.db2.gz MNUFVIGAUPQDMF-UHFFFAOYSA-N 1 2 261.325 1.728 20 30 CDEDLO N#Cc1cccc(C[NH+]2CCN(c3cccnn3)CC2)n1 ZINC000602463770 350111501 /nfs/dbraw/zinc/11/15/01/350111501.db2.gz NFQDAEJEPZPQIQ-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO C=CC[N@@H+](Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361535 180368003 /nfs/dbraw/zinc/36/80/03/180368003.db2.gz RADPALBBVUYLKG-CYBMUJFWSA-N 1 2 281.377 1.567 20 30 CDEDLO C=CC[N@H+](Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361535 180368005 /nfs/dbraw/zinc/36/80/05/180368005.db2.gz RADPALBBVUYLKG-CYBMUJFWSA-N 1 2 281.377 1.567 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N1CCc2ccccc21 ZINC000068616766 351112205 /nfs/dbraw/zinc/11/22/05/351112205.db2.gz SVEDGTWGOKMKQP-VXGBXAGGSA-N 1 2 257.337 1.856 20 30 CDEDLO CC[C@@H](F)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000440699940 366046810 /nfs/dbraw/zinc/04/68/10/366046810.db2.gz DQATUSKQXGFIKW-CYBMUJFWSA-N 1 2 262.332 1.823 20 30 CDEDLO C[N@H+](Cc1ccc(OCC#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000264527577 363085962 /nfs/dbraw/zinc/08/59/62/363085962.db2.gz CLAKDNXNOCXEFF-CYBMUJFWSA-N 1 2 294.376 1.208 20 30 CDEDLO C[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000264527577 363085966 /nfs/dbraw/zinc/08/59/66/363085966.db2.gz CLAKDNXNOCXEFF-CYBMUJFWSA-N 1 2 294.376 1.208 20 30 CDEDLO C=C(CNC(=O)[C@H](c1c[nH+]cn1C)N(C)C)c1ccccc1 ZINC000291929525 198108125 /nfs/dbraw/zinc/10/81/25/198108125.db2.gz SAZPDEKQKYMHDA-INIZCTEOSA-N 1 2 298.390 1.852 20 30 CDEDLO COc1ccc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)cc1C#N ZINC000168019955 363200735 /nfs/dbraw/zinc/20/07/35/363200735.db2.gz CIAXGZRFNUYMCN-BXUZGUMPSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1ccc(C[N@H+]2C[C@H](CO)OC[C@H]2C)cc1C#N ZINC000168019955 363200739 /nfs/dbraw/zinc/20/07/39/363200739.db2.gz CIAXGZRFNUYMCN-BXUZGUMPSA-N 1 2 276.336 1.148 20 30 CDEDLO C[C@H](c1nncn1C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292261980 198221761 /nfs/dbraw/zinc/22/17/61/198221761.db2.gz RNSOFZMVMSQTPL-YPMHNXCESA-N 1 2 298.350 1.296 20 30 CDEDLO C[C@H](c1nncn1C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292261980 198221763 /nfs/dbraw/zinc/22/17/63/198221763.db2.gz RNSOFZMVMSQTPL-YPMHNXCESA-N 1 2 298.350 1.296 20 30 CDEDLO CC(C)n1cnnc1C[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000292442346 198290042 /nfs/dbraw/zinc/29/00/42/198290042.db2.gz ONNAWQRNKOUISP-HNNXBMFYSA-N 1 2 299.378 1.896 20 30 CDEDLO CC(C)n1cnnc1C[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000292442346 198290044 /nfs/dbraw/zinc/29/00/44/198290044.db2.gz ONNAWQRNKOUISP-HNNXBMFYSA-N 1 2 299.378 1.896 20 30 CDEDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1CCOc1ccccc1C#N ZINC000156865522 188285299 /nfs/dbraw/zinc/28/52/99/188285299.db2.gz ARILBVQLNMPATC-AWEZNQCLSA-N 1 2 297.362 1.903 20 30 CDEDLO Cn1cnnc1[C@@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC000156865522 188285300 /nfs/dbraw/zinc/28/53/00/188285300.db2.gz ARILBVQLNMPATC-AWEZNQCLSA-N 1 2 297.362 1.903 20 30 CDEDLO C[C@H](O)C[C@H]1COCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000157086496 188297217 /nfs/dbraw/zinc/29/72/17/188297217.db2.gz KLHYPPNJSYQRGC-WFASDCNBSA-N 1 2 260.337 1.530 20 30 CDEDLO C[C@H](O)C[C@H]1COCC[N@H+]1Cc1cccc(C#N)c1 ZINC000157086496 188297218 /nfs/dbraw/zinc/29/72/18/188297218.db2.gz KLHYPPNJSYQRGC-WFASDCNBSA-N 1 2 260.337 1.530 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNC(=O)[C@@](C)(C#N)CC)CCO1 ZINC000355563761 366116952 /nfs/dbraw/zinc/11/69/52/366116952.db2.gz HASARZBOLMTKAH-TZMCWYRMSA-N 1 2 267.373 1.153 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)[C@@](C)(C#N)CC)CCO1 ZINC000355563761 366116954 /nfs/dbraw/zinc/11/69/54/366116954.db2.gz HASARZBOLMTKAH-TZMCWYRMSA-N 1 2 267.373 1.153 20 30 CDEDLO C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328675241 538313501 /nfs/dbraw/zinc/31/35/01/538313501.db2.gz KMJPQWGLFAMRDJ-RTXFEEFZSA-N 1 2 268.357 1.374 20 30 CDEDLO C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328675241 538313504 /nfs/dbraw/zinc/31/35/04/538313504.db2.gz KMJPQWGLFAMRDJ-RTXFEEFZSA-N 1 2 268.357 1.374 20 30 CDEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC000533377733 356213737 /nfs/dbraw/zinc/21/37/37/356213737.db2.gz JJRNZSBWHCBCAB-AWEZNQCLSA-N 1 2 297.362 1.350 20 30 CDEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC(=O)NCC#N ZINC000533377733 356213742 /nfs/dbraw/zinc/21/37/42/356213742.db2.gz JJRNZSBWHCBCAB-AWEZNQCLSA-N 1 2 297.362 1.350 20 30 CDEDLO CC[N@H+](Cc1ccc(C#N)cn1)[C@H](C)CS(=O)(=O)CC ZINC000578417461 356631053 /nfs/dbraw/zinc/63/10/53/356631053.db2.gz JJLLPDZLJRNTNH-GFCCVEGCSA-N 1 2 295.408 1.598 20 30 CDEDLO CC[N@@H+](Cc1ccc(C#N)cn1)[C@H](C)CS(=O)(=O)CC ZINC000578417461 356631055 /nfs/dbraw/zinc/63/10/55/356631055.db2.gz JJLLPDZLJRNTNH-GFCCVEGCSA-N 1 2 295.408 1.598 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1cccc(O)c1 ZINC000530662927 356743901 /nfs/dbraw/zinc/74/39/01/356743901.db2.gz ZVLMBBHHZWFGNX-UHFFFAOYSA-N 1 2 275.352 1.586 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000530662927 356743905 /nfs/dbraw/zinc/74/39/05/356743905.db2.gz ZVLMBBHHZWFGNX-UHFFFAOYSA-N 1 2 275.352 1.586 20 30 CDEDLO Cc1nc(C2(NC(=O)[C@H]3C[N@H+](C)CCO3)CCCC2)no1 ZINC000329753953 538639597 /nfs/dbraw/zinc/63/95/97/538639597.db2.gz XCMIUMLZPOUDFQ-LLVKDONJSA-N 1 2 294.355 1.434 20 30 CDEDLO Cc1nc(C2(NC(=O)[C@H]3C[N@@H+](C)CCO3)CCCC2)no1 ZINC000329753953 538639604 /nfs/dbraw/zinc/63/96/04/538639604.db2.gz XCMIUMLZPOUDFQ-LLVKDONJSA-N 1 2 294.355 1.434 20 30 CDEDLO C[C@@H]1C[C@H](CO)CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000344155095 356948269 /nfs/dbraw/zinc/94/82/69/356948269.db2.gz JOMFIZHZWOYGNS-GHMZBOCLSA-N 1 2 293.392 1.651 20 30 CDEDLO C[C@@H]1C[C@H](CO)CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000344155095 356948274 /nfs/dbraw/zinc/94/82/74/356948274.db2.gz JOMFIZHZWOYGNS-GHMZBOCLSA-N 1 2 293.392 1.651 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)C(=O)c2ccc(C)cc2)CC1 ZINC000299685497 357109760 /nfs/dbraw/zinc/10/97/60/357109760.db2.gz YXQYWZXFSYGSBR-UHFFFAOYSA-N 1 2 284.359 1.345 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cccc(Cl)n2)CC1 ZINC000299719471 357109909 /nfs/dbraw/zinc/10/99/09/357109909.db2.gz VMVRCHQYYBYJEA-UHFFFAOYSA-N 1 2 277.755 1.516 20 30 CDEDLO C[C@@H]1OCCC[C@@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000329911426 538798699 /nfs/dbraw/zinc/79/86/99/538798699.db2.gz WJIAXJICPYSRKL-STQMWFEESA-N 1 2 282.384 1.623 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000341400669 357251911 /nfs/dbraw/zinc/25/19/11/357251911.db2.gz RVGLULBFMFSZCK-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000341400669 357251914 /nfs/dbraw/zinc/25/19/14/357251914.db2.gz RVGLULBFMFSZCK-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCC[C@]12CCOC2=O ZINC000186737316 357681584 /nfs/dbraw/zinc/68/15/84/357681584.db2.gz XGJLQHIRVDJGOS-OAHLLOKOSA-N 1 2 256.305 1.840 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@]12CCOC2=O ZINC000186737316 357681590 /nfs/dbraw/zinc/68/15/90/357681590.db2.gz XGJLQHIRVDJGOS-OAHLLOKOSA-N 1 2 256.305 1.840 20 30 CDEDLO COCCCO[NH+]=C(N)COc1ccccc1F ZINC000186869377 357700590 /nfs/dbraw/zinc/70/05/90/357700590.db2.gz SLTQNDSJDNXKKS-UHFFFAOYSA-N 1 2 256.277 1.530 20 30 CDEDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccnc(C#N)c3)CC2)S1 ZINC000287256011 358354148 /nfs/dbraw/zinc/35/41/48/358354148.db2.gz KKMPMOQLANUWMF-LLVKDONJSA-N 1 2 287.392 1.567 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2nccn2-c2ccccc2)C1 ZINC000592152825 358588280 /nfs/dbraw/zinc/58/82/80/358588280.db2.gz FGELJTICGCSLIR-INIZCTEOSA-N 1 2 282.347 1.723 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2nccn2-c2ccccc2)C1 ZINC000592152825 358588283 /nfs/dbraw/zinc/58/82/83/358588283.db2.gz FGELJTICGCSLIR-INIZCTEOSA-N 1 2 282.347 1.723 20 30 CDEDLO COc1cc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)ccc1C#N ZINC000234938745 359020567 /nfs/dbraw/zinc/02/05/67/359020567.db2.gz WMWBANCQMUMRFZ-ZDUSSCGKSA-N 1 2 294.376 1.186 20 30 CDEDLO COc1cc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)ccc1C#N ZINC000234938745 359020570 /nfs/dbraw/zinc/02/05/70/359020570.db2.gz WMWBANCQMUMRFZ-ZDUSSCGKSA-N 1 2 294.376 1.186 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](CO)C1 ZINC000222130324 359069073 /nfs/dbraw/zinc/06/90/73/359069073.db2.gz MRGPFZVEEUNRCN-TZMCWYRMSA-N 1 2 274.320 1.087 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](CO)C1 ZINC000222130324 359069077 /nfs/dbraw/zinc/06/90/77/359069077.db2.gz MRGPFZVEEUNRCN-TZMCWYRMSA-N 1 2 274.320 1.087 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)NCc1cc(C#N)ccc1F ZINC000339165081 359300072 /nfs/dbraw/zinc/30/00/72/359300072.db2.gz PYGMNIZMMXDQQD-UHFFFAOYSA-N 1 2 286.310 1.680 20 30 CDEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000264476276 359308702 /nfs/dbraw/zinc/30/87/02/359308702.db2.gz OYCUEXQYSRMFRG-GFCCVEGCSA-N 1 2 287.363 1.765 20 30 CDEDLO C=CC[N@H+](CCc1ccco1)Cc1nnnn1C1CC1 ZINC000272318298 359454711 /nfs/dbraw/zinc/45/47/11/359454711.db2.gz TTZYQELVMMZVRO-UHFFFAOYSA-N 1 2 273.340 1.832 20 30 CDEDLO C=CC[N@@H+](CCc1ccco1)Cc1nnnn1C1CC1 ZINC000272318298 359454716 /nfs/dbraw/zinc/45/47/16/359454716.db2.gz TTZYQELVMMZVRO-UHFFFAOYSA-N 1 2 273.340 1.832 20 30 CDEDLO C=CCC1(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)OC)CCC1 ZINC000276823585 359551001 /nfs/dbraw/zinc/55/10/01/359551001.db2.gz NPBWZLVKPDQPGY-LBPRGKRZSA-N 1 2 291.351 1.356 20 30 CDEDLO C=CCC1(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)OC)CCC1 ZINC000276823585 359551004 /nfs/dbraw/zinc/55/10/04/359551004.db2.gz NPBWZLVKPDQPGY-LBPRGKRZSA-N 1 2 291.351 1.356 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)c2cnccn2)n1 ZINC000279799010 359593680 /nfs/dbraw/zinc/59/36/80/359593680.db2.gz WLTKTBJHLSHKFZ-ZDUSSCGKSA-N 1 2 269.352 1.889 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)c2cnccn2)n1 ZINC000279799010 359593684 /nfs/dbraw/zinc/59/36/84/359593684.db2.gz WLTKTBJHLSHKFZ-ZDUSSCGKSA-N 1 2 269.352 1.889 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000279570523 359589722 /nfs/dbraw/zinc/58/97/22/359589722.db2.gz YROSKAYVSLIJTC-AWEZNQCLSA-N 1 2 259.309 1.278 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)C[C@@H]2CCC(=O)[C@H]2C)CC1 ZINC000279671229 359590170 /nfs/dbraw/zinc/59/01/70/359590170.db2.gz HUSRBVUSKBAFMY-KBPBESRZSA-N 1 2 276.380 1.159 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)NCCCC)n1 ZINC000279752524 359594740 /nfs/dbraw/zinc/59/47/40/359594740.db2.gz QHYZYOHFDBCVBD-CQSZACIVSA-N 1 2 290.411 1.643 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)NCCCC)n1 ZINC000279752524 359594743 /nfs/dbraw/zinc/59/47/43/359594743.db2.gz QHYZYOHFDBCVBD-CQSZACIVSA-N 1 2 290.411 1.643 20 30 CDEDLO C=CCOc1cccc(C[NH+]2CC(O)(COC)C2)c1 ZINC000297324201 200148689 /nfs/dbraw/zinc/14/86/89/200148689.db2.gz DKSFJUPKWHWMPV-UHFFFAOYSA-N 1 2 263.337 1.445 20 30 CDEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1nc(C)no1 ZINC000348097672 359831510 /nfs/dbraw/zinc/83/15/10/359831510.db2.gz QQHGBXNIJDYHNB-JTQLQIEISA-N 1 2 264.329 1.229 20 30 CDEDLO C[C@H](C[NH+]1CCN(C)CC1)Nc1c(C#N)cccc1C#N ZINC000302900423 360117819 /nfs/dbraw/zinc/11/78/19/360117819.db2.gz SNQSVPGAVGJQMG-CYBMUJFWSA-N 1 2 283.379 1.478 20 30 CDEDLO C=CCN(C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000153689492 360124624 /nfs/dbraw/zinc/12/46/24/360124624.db2.gz XCHJYGLCGHQJBB-UHFFFAOYSA-N 1 2 290.367 1.246 20 30 CDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)N(C)C ZINC000298278957 200381085 /nfs/dbraw/zinc/38/10/85/200381085.db2.gz XBGBGVXAQMLVRK-LBPRGKRZSA-N 1 2 262.328 1.738 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)N(C)C ZINC000298278957 200381087 /nfs/dbraw/zinc/38/10/87/200381087.db2.gz XBGBGVXAQMLVRK-LBPRGKRZSA-N 1 2 262.328 1.738 20 30 CDEDLO Cn1cc(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)cn1 ZINC000121626856 360169018 /nfs/dbraw/zinc/16/90/18/360169018.db2.gz WWVLSBKEJLNTTQ-UHFFFAOYSA-N 1 2 299.353 1.753 20 30 CDEDLO C[C@H](C#N)CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000335404498 360224053 /nfs/dbraw/zinc/22/40/53/360224053.db2.gz HVTWKXMCPTWAIY-MNOVXSKESA-N 1 2 261.329 1.458 20 30 CDEDLO COc1cc(C[N@@H+]2CCC[C@@](F)(CO)C2)ccc1C#N ZINC000289699403 360237312 /nfs/dbraw/zinc/23/73/12/360237312.db2.gz FYHMVSCFGWVMBQ-HNNXBMFYSA-N 1 2 278.327 1.863 20 30 CDEDLO COc1cc(C[N@H+]2CCC[C@@](F)(CO)C2)ccc1C#N ZINC000289699403 360237314 /nfs/dbraw/zinc/23/73/14/360237314.db2.gz FYHMVSCFGWVMBQ-HNNXBMFYSA-N 1 2 278.327 1.863 20 30 CDEDLO COC(=O)C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C(C)C ZINC000177715189 189065159 /nfs/dbraw/zinc/06/51/59/189065159.db2.gz LYOUKSDDMJSNJP-AWEZNQCLSA-N 1 2 276.336 1.475 20 30 CDEDLO COC(=O)C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C(C)C ZINC000177715189 189065160 /nfs/dbraw/zinc/06/51/60/189065160.db2.gz LYOUKSDDMJSNJP-AWEZNQCLSA-N 1 2 276.336 1.475 20 30 CDEDLO Fc1ccc(C#CC[NH+]2CCN(c3cnccn3)CC2)cc1 ZINC000156345181 360575322 /nfs/dbraw/zinc/57/53/22/360575322.db2.gz NGEFXOSUOYPZGE-UHFFFAOYSA-N 1 2 296.349 1.789 20 30 CDEDLO C[N@H+](Cc1ccccc1C#N)C1(C(N)=O)CCCC1 ZINC000178970811 189158172 /nfs/dbraw/zinc/15/81/72/189158172.db2.gz FTVYPKCCXNEFCV-UHFFFAOYSA-N 1 2 257.337 1.788 20 30 CDEDLO C[N@@H+](Cc1ccccc1C#N)C1(C(N)=O)CCCC1 ZINC000178970811 189158173 /nfs/dbraw/zinc/15/81/73/189158173.db2.gz FTVYPKCCXNEFCV-UHFFFAOYSA-N 1 2 257.337 1.788 20 30 CDEDLO C=CCCOCCNC(=O)NCCCn1cc[nH+]c1 ZINC000179106042 189169997 /nfs/dbraw/zinc/16/99/97/189169997.db2.gz TYQNBOGODAYBCW-UHFFFAOYSA-N 1 2 266.345 1.165 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(CO)o3)CC2)nc1 ZINC000179987457 189230910 /nfs/dbraw/zinc/23/09/10/189230910.db2.gz GAWFAGZYNJHCIK-UHFFFAOYSA-N 1 2 298.346 1.361 20 30 CDEDLO C=CC[N@@H+](CCC(C)(C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000157966122 361040962 /nfs/dbraw/zinc/04/09/62/361040962.db2.gz QZDTYCLKVLBMNY-GFCCVEGCSA-N 1 2 270.398 1.601 20 30 CDEDLO C=CC[N@H+](CCC(C)(C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000157966122 361040964 /nfs/dbraw/zinc/04/09/64/361040964.db2.gz QZDTYCLKVLBMNY-GFCCVEGCSA-N 1 2 270.398 1.601 20 30 CDEDLO CC[N@H+](CCS(C)(=O)=O)Cc1ccc(C#N)s1 ZINC000180089556 189236449 /nfs/dbraw/zinc/23/64/49/189236449.db2.gz UCRXIPZXHDZFAJ-UHFFFAOYSA-N 1 2 272.395 1.486 20 30 CDEDLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccc(C#N)s1 ZINC000180089556 189236450 /nfs/dbraw/zinc/23/64/50/189236450.db2.gz UCRXIPZXHDZFAJ-UHFFFAOYSA-N 1 2 272.395 1.486 20 30 CDEDLO CC[N@H+](CCNC(=O)OC(C)(C)C)C[C@@H](C)C#N ZINC000114208012 361183004 /nfs/dbraw/zinc/18/30/04/361183004.db2.gz FDCZLNDLGPNCHL-NSHDSACASA-N 1 2 255.362 1.993 20 30 CDEDLO CC[N@@H+](CCNC(=O)OC(C)(C)C)C[C@@H](C)C#N ZINC000114208012 361183010 /nfs/dbraw/zinc/18/30/10/361183010.db2.gz FDCZLNDLGPNCHL-NSHDSACASA-N 1 2 255.362 1.993 20 30 CDEDLO C[C@@H](C(=O)NCc1nnc(C2CC2)o1)[NH+]1CCSCC1 ZINC000329382656 361495212 /nfs/dbraw/zinc/49/52/12/361495212.db2.gz OMJVSHWBCLAQHH-VIFPVBQESA-N 1 2 296.396 1.841 20 30 CDEDLO N#Cc1c(NCCn2cc[nH+]c2)nc2ccccn12 ZINC000302134485 201357357 /nfs/dbraw/zinc/35/73/57/201357357.db2.gz LVDHWOIELAACLD-UHFFFAOYSA-N 1 2 252.281 1.515 20 30 CDEDLO CC1(C)COCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000580329004 363901371 /nfs/dbraw/zinc/90/13/71/363901371.db2.gz RTXNTMIDDAPQJU-UHFFFAOYSA-N 1 2 271.324 1.212 20 30 CDEDLO CC1(C)COCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000580329004 363901375 /nfs/dbraw/zinc/90/13/75/363901375.db2.gz RTXNTMIDDAPQJU-UHFFFAOYSA-N 1 2 271.324 1.212 20 30 CDEDLO CC[N@H+](CCc1nc2ccccc2c(=O)[nH]1)C[C@H](C)C#N ZINC000103469576 363926688 /nfs/dbraw/zinc/92/66/88/363926688.db2.gz DETHLAKLLWGFTO-GFCCVEGCSA-N 1 2 284.363 1.947 20 30 CDEDLO CC[N@@H+](CCc1nc2ccccc2c(=O)[nH]1)C[C@H](C)C#N ZINC000103469576 363926693 /nfs/dbraw/zinc/92/66/93/363926693.db2.gz DETHLAKLLWGFTO-GFCCVEGCSA-N 1 2 284.363 1.947 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000570864581 364050240 /nfs/dbraw/zinc/05/02/40/364050240.db2.gz WKOCFNLSWGGWBF-NSHDSACASA-N 1 2 291.351 1.883 20 30 CDEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000170607144 364245449 /nfs/dbraw/zinc/24/54/49/364245449.db2.gz FKGBLEJZWVUEEM-UHFFFAOYSA-N 1 2 268.320 1.868 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@@H](CC(C)C)OC)nn1 ZINC000641180592 365173642 /nfs/dbraw/zinc/17/36/42/365173642.db2.gz ZIBXDAITXYLIJA-CQSZACIVSA-N 1 2 264.373 1.452 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2csc(Cl)n2)CC1 ZINC000275451701 193042238 /nfs/dbraw/zinc/04/22/38/193042238.db2.gz LDEFTVIBQYPFBY-UHFFFAOYSA-N 1 2 283.784 1.578 20 30 CDEDLO C[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1ncn(C)n1 ZINC000275533568 193069521 /nfs/dbraw/zinc/06/95/21/193069521.db2.gz KRAVEJBMIHSCBS-LLVKDONJSA-N 1 2 271.324 1.416 20 30 CDEDLO CC#CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000353931356 365389098 /nfs/dbraw/zinc/38/90/98/365389098.db2.gz YOLGFCYVUYFMHI-UHFFFAOYSA-N 1 2 298.302 1.924 20 30 CDEDLO C=CC[N@@H+](Cc1cccc(F)c1N)[C@@H]1CCS(=O)(=O)C1 ZINC000637962590 367320839 /nfs/dbraw/zinc/32/08/39/367320839.db2.gz NZMLDOWGSJGOBO-GFCCVEGCSA-N 1 2 298.383 1.583 20 30 CDEDLO C=CC[N@H+](Cc1cccc(F)c1N)[C@@H]1CCS(=O)(=O)C1 ZINC000637962590 367320846 /nfs/dbraw/zinc/32/08/46/367320846.db2.gz NZMLDOWGSJGOBO-GFCCVEGCSA-N 1 2 298.383 1.583 20 30 CDEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)NCC2CC2)CC1 ZINC000375696507 370918474 /nfs/dbraw/zinc/91/84/74/370918474.db2.gz IIEWUOSVYACXJP-UHFFFAOYSA-N 1 2 298.390 1.465 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCSC[C@@H]1CO ZINC000330842384 203299923 /nfs/dbraw/zinc/29/99/23/203299923.db2.gz MRZRGBWYYHMULT-ZDUSSCGKSA-N 1 2 278.377 1.477 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCSC[C@@H]1CO ZINC000330842384 203299926 /nfs/dbraw/zinc/29/99/26/203299926.db2.gz MRZRGBWYYHMULT-ZDUSSCGKSA-N 1 2 278.377 1.477 20 30 CDEDLO COC(=O)[C@@H]([NH2+]CCOc1ccccc1C#N)C1CC1 ZINC000276274850 193266970 /nfs/dbraw/zinc/26/69/70/193266970.db2.gz DKAGHEFEHZNTBK-AWEZNQCLSA-N 1 2 274.320 1.478 20 30 CDEDLO CC(C)(C)OC(=O)CC[N@H+](CC#N)C1CCOCC1 ZINC000564917346 370298509 /nfs/dbraw/zinc/29/85/09/370298509.db2.gz QKUGFFRJXGHYKW-UHFFFAOYSA-N 1 2 268.357 1.723 20 30 CDEDLO CC(C)(C)OC(=O)CC[N@@H+](CC#N)C1CCOCC1 ZINC000564917346 370298512 /nfs/dbraw/zinc/29/85/12/370298512.db2.gz QKUGFFRJXGHYKW-UHFFFAOYSA-N 1 2 268.357 1.723 20 30 CDEDLO C[C@H](OCc1ccccc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000565428999 370446293 /nfs/dbraw/zinc/44/62/93/370446293.db2.gz RTOOUDGTIBJOGO-XJKSGUPXSA-N 1 2 289.379 1.552 20 30 CDEDLO C=CCN1CC[C@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1=O ZINC000567902722 371186269 /nfs/dbraw/zinc/18/62/69/371186269.db2.gz XRIVLIZIUSQVJN-OLZOCXBDSA-N 1 2 290.367 1.080 20 30 CDEDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000331808308 204185061 /nfs/dbraw/zinc/18/50/61/204185061.db2.gz YQTJHMXUAZYZTH-BXUZGUMPSA-N 1 2 299.334 1.270 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(Cl)ccn1 ZINC000573180915 371452316 /nfs/dbraw/zinc/45/23/16/371452316.db2.gz XQOVEZDKBUKPHA-LBPRGKRZSA-N 1 2 266.732 1.309 20 30 CDEDLO CCOC[C@H](O)C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000193834992 372057464 /nfs/dbraw/zinc/05/74/64/372057464.db2.gz ZGACJFQQDSXOMV-CYBMUJFWSA-N 1 2 276.336 1.019 20 30 CDEDLO C#Cc1cccc(N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000172769121 372414650 /nfs/dbraw/zinc/41/46/50/372414650.db2.gz MHOPXCVOGOMHQV-HNNXBMFYSA-N 1 2 272.348 1.351 20 30 CDEDLO C#Cc1cccc(N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000172769121 372414654 /nfs/dbraw/zinc/41/46/54/372414654.db2.gz MHOPXCVOGOMHQV-HNNXBMFYSA-N 1 2 272.348 1.351 20 30 CDEDLO C[C@H](C#N)CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000182872978 372630724 /nfs/dbraw/zinc/63/07/24/372630724.db2.gz YDNXBDIYVBKXNH-NEPJUHHUSA-N 1 2 261.329 1.217 20 30 CDEDLO C=CCNC(=O)NC(=O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000193076091 372668222 /nfs/dbraw/zinc/66/82/22/372668222.db2.gz CEVMGLZXVLADMJ-UHFFFAOYSA-N 1 2 286.335 1.665 20 30 CDEDLO N#Cc1cccc(C2(NC(=O)CCn3cc[nH+]c3)CC2)c1 ZINC000269593965 373035995 /nfs/dbraw/zinc/03/59/95/373035995.db2.gz DJZHUZDSDSNQQL-UHFFFAOYSA-N 1 2 280.331 1.950 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H](C)O1 ZINC000192216133 373604216 /nfs/dbraw/zinc/60/42/16/373604216.db2.gz YBRDCMUUJCQKHN-BXUZGUMPSA-N 1 2 278.327 1.933 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H](C)O1 ZINC000192216133 373604220 /nfs/dbraw/zinc/60/42/20/373604220.db2.gz YBRDCMUUJCQKHN-BXUZGUMPSA-N 1 2 278.327 1.933 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000342170762 374008356 /nfs/dbraw/zinc/00/83/56/374008356.db2.gz YZDAZJRUOHWTET-LLVKDONJSA-N 1 2 259.309 1.249 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](CCO)C1 ZINC000051895766 374028757 /nfs/dbraw/zinc/02/87/57/374028757.db2.gz ARJFKJITCISXMP-NSHDSACASA-N 1 2 293.392 1.653 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000051895766 374028759 /nfs/dbraw/zinc/02/87/59/374028759.db2.gz ARJFKJITCISXMP-NSHDSACASA-N 1 2 293.392 1.653 20 30 CDEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3C(N)=O)o2)cc1 ZINC000075618289 374195252 /nfs/dbraw/zinc/19/52/52/374195252.db2.gz PTMBQDSSQFAEBL-LBPRGKRZSA-N 1 2 297.318 1.058 20 30 CDEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3C(N)=O)o2)cc1 ZINC000075618289 374195264 /nfs/dbraw/zinc/19/52/64/374195264.db2.gz PTMBQDSSQFAEBL-LBPRGKRZSA-N 1 2 297.318 1.058 20 30 CDEDLO N#Cc1c(C[N@H+]2CCCN(C(N)=O)CC2)cn2ccccc12 ZINC000111688489 374199091 /nfs/dbraw/zinc/19/90/91/374199091.db2.gz CSOKOCMDJSYZRE-UHFFFAOYSA-N 1 2 297.362 1.397 20 30 CDEDLO N#Cc1c(C[N@@H+]2CCCN(C(N)=O)CC2)cn2ccccc12 ZINC000111688489 374199101 /nfs/dbraw/zinc/19/91/01/374199101.db2.gz CSOKOCMDJSYZRE-UHFFFAOYSA-N 1 2 297.362 1.397 20 30 CDEDLO N#Cc1ccccc1OCC[N@@H+]1CCc2nn[nH]c2C1 ZINC000351607167 374263844 /nfs/dbraw/zinc/26/38/44/374263844.db2.gz IJQBHDNSBBYZPK-UHFFFAOYSA-N 1 2 269.308 1.113 20 30 CDEDLO N#Cc1ccccc1OCC[N@H+]1CCc2nn[nH]c2C1 ZINC000351607167 374263849 /nfs/dbraw/zinc/26/38/49/374263849.db2.gz IJQBHDNSBBYZPK-UHFFFAOYSA-N 1 2 269.308 1.113 20 30 CDEDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000371184112 374410638 /nfs/dbraw/zinc/41/06/38/374410638.db2.gz MFWNMBLTFHYLKZ-SNVBAGLBSA-N 1 2 261.300 1.408 20 30 CDEDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000371184112 374410642 /nfs/dbraw/zinc/41/06/42/374410642.db2.gz MFWNMBLTFHYLKZ-SNVBAGLBSA-N 1 2 261.300 1.408 20 30 CDEDLO CCC[N@H+](Cc1n[nH]c(=O)[nH]1)Cc1ccc(C#N)cc1 ZINC000092617431 374700161 /nfs/dbraw/zinc/70/01/61/374700161.db2.gz BRZDGWMLYXKSAZ-UHFFFAOYSA-N 1 2 271.324 1.794 20 30 CDEDLO CCC[N@@H+](Cc1n[nH]c(=O)[nH]1)Cc1ccc(C#N)cc1 ZINC000092617431 374700165 /nfs/dbraw/zinc/70/01/65/374700165.db2.gz BRZDGWMLYXKSAZ-UHFFFAOYSA-N 1 2 271.324 1.794 20 30 CDEDLO C[C@H]([C@H](C)[N@H+](C)Cc1cc(C#N)cs1)S(C)(=O)=O ZINC000093421926 374753294 /nfs/dbraw/zinc/75/32/94/374753294.db2.gz DAMLFCNOCQNLIH-VHSXEESVSA-N 1 2 286.422 1.873 20 30 CDEDLO C[C@H]([C@H](C)[N@@H+](C)Cc1cc(C#N)cs1)S(C)(=O)=O ZINC000093421926 374753297 /nfs/dbraw/zinc/75/32/97/374753297.db2.gz DAMLFCNOCQNLIH-VHSXEESVSA-N 1 2 286.422 1.873 20 30 CDEDLO C[C@@H]1CC[N@H+](CCOc2ccc(C#N)cc2)CC[S@]1=O ZINC000277186442 374776338 /nfs/dbraw/zinc/77/63/38/374776338.db2.gz LQPATVNEAUABMW-ZUOKHONESA-N 1 2 292.404 1.780 20 30 CDEDLO C[C@@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)CC[S@]1=O ZINC000277186442 374776346 /nfs/dbraw/zinc/77/63/46/374776346.db2.gz LQPATVNEAUABMW-ZUOKHONESA-N 1 2 292.404 1.780 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000330563294 374864697 /nfs/dbraw/zinc/86/46/97/374864697.db2.gz KRAGIYJGLFPDNL-STQMWFEESA-N 1 2 264.300 1.472 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000330563294 374864704 /nfs/dbraw/zinc/86/47/04/374864704.db2.gz KRAGIYJGLFPDNL-STQMWFEESA-N 1 2 264.300 1.472 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCCCOC ZINC000042449507 374835528 /nfs/dbraw/zinc/83/55/28/374835528.db2.gz ZAEGLWNDTIHXSZ-RYUDHWBXSA-N 1 2 255.362 1.009 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCCCOC ZINC000042449507 374835534 /nfs/dbraw/zinc/83/55/34/374835534.db2.gz ZAEGLWNDTIHXSZ-RYUDHWBXSA-N 1 2 255.362 1.009 20 30 CDEDLO COC(=O)[C@H](C)[N@H+](C)CCOc1ccc(C#N)cc1OC ZINC000280519730 375000927 /nfs/dbraw/zinc/00/09/27/375000927.db2.gz DSOQQIQILVUFPV-NSHDSACASA-N 1 2 292.335 1.439 20 30 CDEDLO COC(=O)[C@H](C)[N@@H+](C)CCOc1ccc(C#N)cc1OC ZINC000280519730 375000933 /nfs/dbraw/zinc/00/09/33/375000933.db2.gz DSOQQIQILVUFPV-NSHDSACASA-N 1 2 292.335 1.439 20 30 CDEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000602868858 542004704 /nfs/dbraw/zinc/00/47/04/542004704.db2.gz YCZCTVXAHVKLBD-ZDUSSCGKSA-N 1 2 296.378 1.555 20 30 CDEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC000602868858 542004707 /nfs/dbraw/zinc/00/47/07/542004707.db2.gz YCZCTVXAHVKLBD-ZDUSSCGKSA-N 1 2 296.378 1.555 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000135026054 375671666 /nfs/dbraw/zinc/67/16/66/375671666.db2.gz JKJHIAGDBLNJCC-MRXNPFEDSA-N 1 2 290.411 1.667 20 30 CDEDLO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328612078 375894625 /nfs/dbraw/zinc/89/46/25/375894625.db2.gz OZOJEKQQZXVSDD-JFGNBEQYSA-N 1 2 276.340 1.767 20 30 CDEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CCC[C@@H](CO)C1 ZINC000328624952 375900067 /nfs/dbraw/zinc/90/00/67/375900067.db2.gz ZXCSQFONUKVWPJ-CHWSQXEVSA-N 1 2 292.383 1.379 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@@H]2CCCO2)C1 ZINC000328773639 375953256 /nfs/dbraw/zinc/95/32/56/375953256.db2.gz KABIOMOBARNHHK-NEPJUHHUSA-N 1 2 278.356 1.302 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cnn(C)c1C1CC1 ZINC000328826040 375968479 /nfs/dbraw/zinc/96/84/79/375968479.db2.gz HWFGSYGODCVOMN-LLVKDONJSA-N 1 2 292.383 1.323 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cnn(C)c1C1CC1 ZINC000328826040 375968486 /nfs/dbraw/zinc/96/84/86/375968486.db2.gz HWFGSYGODCVOMN-LLVKDONJSA-N 1 2 292.383 1.323 20 30 CDEDLO C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CCOC[C@@H](C)C1 ZINC000328683061 375926581 /nfs/dbraw/zinc/92/65/81/375926581.db2.gz PATIRZWVFUSPEO-QWRGUYRKSA-N 1 2 264.329 1.421 20 30 CDEDLO C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CCOC[C@@H](C)C1 ZINC000328683061 375926586 /nfs/dbraw/zinc/92/65/86/375926586.db2.gz PATIRZWVFUSPEO-QWRGUYRKSA-N 1 2 264.329 1.421 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000330546209 376215096 /nfs/dbraw/zinc/21/50/96/376215096.db2.gz VFSCMBWZURBDOT-JHJVBQTASA-N 1 2 294.399 1.630 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000330546209 376215098 /nfs/dbraw/zinc/21/50/98/376215098.db2.gz VFSCMBWZURBDOT-JHJVBQTASA-N 1 2 294.399 1.630 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCCCOC ZINC000250057979 377487433 /nfs/dbraw/zinc/48/74/33/377487433.db2.gz ZAEGLWNDTIHXSZ-NWDGAFQWSA-N 1 2 255.362 1.009 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCCCOC ZINC000250057979 377487437 /nfs/dbraw/zinc/48/74/37/377487437.db2.gz ZAEGLWNDTIHXSZ-NWDGAFQWSA-N 1 2 255.362 1.009 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(-n2cccn2)c1 ZINC000571806364 377542427 /nfs/dbraw/zinc/54/24/27/377542427.db2.gz KPMKMSIISZNYOV-MRXNPFEDSA-N 1 2 297.362 1.446 20 30 CDEDLO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C#N)CC1 ZINC000057878772 377858625 /nfs/dbraw/zinc/85/86/25/377858625.db2.gz ROBVVLBHYCTCOP-LLVKDONJSA-N 1 2 280.372 1.092 20 30 CDEDLO C=CCC1(C(=O)NCC[N@H+]2CCOCC2(C)C)CCC1 ZINC000191204531 378005198 /nfs/dbraw/zinc/00/51/98/378005198.db2.gz TYYCUQAYGOOVDZ-UHFFFAOYSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CCC1(C(=O)NCC[N@@H+]2CCOCC2(C)C)CCC1 ZINC000191204531 378005202 /nfs/dbraw/zinc/00/52/02/378005202.db2.gz TYYCUQAYGOOVDZ-UHFFFAOYSA-N 1 2 280.412 1.960 20 30 CDEDLO CC(C)(C)c1n[nH]cc1C[NH+]1CCN(CC#N)CC1 ZINC000092936399 378020663 /nfs/dbraw/zinc/02/06/63/378020663.db2.gz APIHHHPRSQIHGL-UHFFFAOYSA-N 1 2 261.373 1.348 20 30 CDEDLO C#CC(C)(C)[N@H+](C)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000286148917 378204366 /nfs/dbraw/zinc/20/43/66/378204366.db2.gz NNVAMVDSKQQGLQ-UHFFFAOYSA-N 1 2 285.347 1.315 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000286148917 378204376 /nfs/dbraw/zinc/20/43/76/378204376.db2.gz NNVAMVDSKQQGLQ-UHFFFAOYSA-N 1 2 285.347 1.315 20 30 CDEDLO C=C[C@@H](CO)Nc1cc(NCCCC)[nH+]c(N)n1 ZINC000291184637 378434421 /nfs/dbraw/zinc/43/44/21/378434421.db2.gz SEIQPCHGKPLGFX-VIFPVBQESA-N 1 2 251.334 1.230 20 30 CDEDLO C=C[C@@H](CO)Nc1cc(NCCCC)nc(N)[nH+]1 ZINC000291184637 378434429 /nfs/dbraw/zinc/43/44/29/378434429.db2.gz SEIQPCHGKPLGFX-VIFPVBQESA-N 1 2 251.334 1.230 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000293309741 378556162 /nfs/dbraw/zinc/55/61/62/378556162.db2.gz WZPHBZNCWYZECD-UHFFFAOYSA-N 1 2 263.341 1.866 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000293309741 378556170 /nfs/dbraw/zinc/55/61/70/378556170.db2.gz WZPHBZNCWYZECD-UHFFFAOYSA-N 1 2 263.341 1.866 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1conc1CC ZINC000293546616 378573606 /nfs/dbraw/zinc/57/36/06/378573606.db2.gz YQAVBMCNWPVOFT-JTQLQIEISA-N 1 2 251.330 1.360 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1conc1CC ZINC000293546616 378573610 /nfs/dbraw/zinc/57/36/10/378573610.db2.gz YQAVBMCNWPVOFT-JTQLQIEISA-N 1 2 251.330 1.360 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000294826852 378651824 /nfs/dbraw/zinc/65/18/24/378651824.db2.gz WVEBJLDCAQEYIQ-ZDUSSCGKSA-N 1 2 290.363 1.704 20 30 CDEDLO C#CC[N@@H+](C)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000192229538 533109334 /nfs/dbraw/zinc/10/93/34/533109334.db2.gz JGCNKTCFFNEFKV-UHFFFAOYSA-N 1 2 257.293 1.810 20 30 CDEDLO C#CC[N@H+](C)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000192229538 533109338 /nfs/dbraw/zinc/10/93/38/533109338.db2.gz JGCNKTCFFNEFKV-UHFFFAOYSA-N 1 2 257.293 1.810 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc3ccc(C)cn23)C1=O ZINC000281223377 195155281 /nfs/dbraw/zinc/15/52/81/195155281.db2.gz KMVFUAUROLRFRA-OAHLLOKOSA-N 1 2 298.390 1.861 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc3ccc(C)cn23)C1=O ZINC000281223377 195155283 /nfs/dbraw/zinc/15/52/83/195155283.db2.gz KMVFUAUROLRFRA-OAHLLOKOSA-N 1 2 298.390 1.861 20 30 CDEDLO C=CCN1CC[C@@H](N(C)Cc2c[nH+]c3ccc(C)cn23)C1=O ZINC000281223377 195155285 /nfs/dbraw/zinc/15/52/85/195155285.db2.gz KMVFUAUROLRFRA-OAHLLOKOSA-N 1 2 298.390 1.861 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](CC)C[C@@H](O)C(F)(F)F)C1=O ZINC000281222201 195155933 /nfs/dbraw/zinc/15/59/33/195155933.db2.gz DVZQCIHHSFXGKG-VHSXEESVSA-N 1 2 280.290 1.018 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](CC)C[C@@H](O)C(F)(F)F)C1=O ZINC000281222201 195155935 /nfs/dbraw/zinc/15/59/35/195155935.db2.gz DVZQCIHHSFXGKG-VHSXEESVSA-N 1 2 280.290 1.018 20 30 CDEDLO N#Cc1cccc(C2([NH2+]Cc3ncnn3CCF)CC2)c1 ZINC000281740306 195359461 /nfs/dbraw/zinc/35/94/61/195359461.db2.gz WYFPZUXXDFMTKF-UHFFFAOYSA-N 1 2 285.326 1.898 20 30 CDEDLO CCNC(=O)CO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000106067451 390530544 /nfs/dbraw/zinc/53/05/44/390530544.db2.gz LLOKSNMHWQNWHM-UHFFFAOYSA-N 1 2 269.732 1.307 20 30 CDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OC/C=C/c1ccccc1 ZINC000112336199 390686134 /nfs/dbraw/zinc/68/61/34/390686134.db2.gz GOFPXWAARBYSLD-JXMROGBWSA-N 1 2 275.352 1.903 20 30 CDEDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)CCCCC#N ZINC000134552310 390939083 /nfs/dbraw/zinc/93/90/83/390939083.db2.gz GEAPHMGRKXCUTA-UHFFFAOYSA-N 1 2 284.385 1.229 20 30 CDEDLO CO[C@@H](C)c1nc(CO[NH+]=C(N)CCO)cs1 ZINC000136067850 390940922 /nfs/dbraw/zinc/94/09/22/390940922.db2.gz CJPHVSKKKSVHBT-ZETCQYMHSA-N 1 2 259.331 1.022 20 30 CDEDLO N#Cc1csc(C[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000158834822 390941681 /nfs/dbraw/zinc/94/16/81/390941681.db2.gz XXJLDEKZDNVNCJ-UHFFFAOYSA-N 1 2 285.376 1.732 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000448920056 390918241 /nfs/dbraw/zinc/91/82/41/390918241.db2.gz FINGFBJBWVCXQX-UHFFFAOYSA-N 1 2 276.384 1.277 20 30 CDEDLO CNC(=O)[C@@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000399624186 391057992 /nfs/dbraw/zinc/05/79/92/391057992.db2.gz ZZQVHFQVCFMKLE-LLVKDONJSA-N 1 2 258.325 1.224 20 30 CDEDLO N#CC1(F)CC[NH+](CC(=O)NCc2ccccc2F)CC1 ZINC000352485033 391155467 /nfs/dbraw/zinc/15/54/67/391155467.db2.gz WSTASNHBKUHFLT-UHFFFAOYSA-N 1 2 293.317 1.770 20 30 CDEDLO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(F)(C#N)CC1 ZINC000352491284 391156081 /nfs/dbraw/zinc/15/60/81/391156081.db2.gz PLRSARTUWWWWJD-CYBMUJFWSA-N 1 2 281.375 1.961 20 30 CDEDLO C#CCN(C)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000491566932 391159657 /nfs/dbraw/zinc/15/96/57/391159657.db2.gz IWNQTNBIRQXVEH-GFCCVEGCSA-N 1 2 260.341 1.344 20 30 CDEDLO COC(=O)C[N@H+](Cc1ccc(C#N)c(OC)c1)C1CC1 ZINC000282224620 533499703 /nfs/dbraw/zinc/49/97/03/533499703.db2.gz IEZNEEWZZASPLM-UHFFFAOYSA-N 1 2 274.320 1.704 20 30 CDEDLO COC(=O)C[N@@H+](Cc1ccc(C#N)c(OC)c1)C1CC1 ZINC000282224620 533499709 /nfs/dbraw/zinc/49/97/09/533499709.db2.gz IEZNEEWZZASPLM-UHFFFAOYSA-N 1 2 274.320 1.704 20 30 CDEDLO C#CCCCS(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000376314735 391222168 /nfs/dbraw/zinc/22/21/68/391222168.db2.gz CXFUBDVRJUJRSL-CQSZACIVSA-N 1 2 294.376 1.278 20 30 CDEDLO C#CC[NH+]1CCN(c2cc(Cl)nc(C3CC3)n2)CC1 ZINC000301915452 391289287 /nfs/dbraw/zinc/28/92/87/391289287.db2.gz ITEOBOZTLUWTFM-UHFFFAOYSA-N 1 2 276.771 1.763 20 30 CDEDLO C=C(C)CN(C)c1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000302845048 391305415 /nfs/dbraw/zinc/30/54/15/391305415.db2.gz NPEAXFNVJURSMJ-CYBMUJFWSA-N 1 2 276.384 1.840 20 30 CDEDLO C=C(C)CN(C)c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000302845048 391305417 /nfs/dbraw/zinc/30/54/17/391305417.db2.gz NPEAXFNVJURSMJ-CYBMUJFWSA-N 1 2 276.384 1.840 20 30 CDEDLO C=CCSCCNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000339539990 391313537 /nfs/dbraw/zinc/31/35/37/391313537.db2.gz SFTRUKPBVIQFJE-GFCCVEGCSA-N 1 2 294.424 1.838 20 30 CDEDLO C=C(C)CN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000366407491 391313592 /nfs/dbraw/zinc/31/35/92/391313592.db2.gz RWQICEFRDWFDLN-AWEZNQCLSA-N 1 2 266.385 1.664 20 30 CDEDLO C=C(C)CN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000366407491 391313596 /nfs/dbraw/zinc/31/35/96/391313596.db2.gz RWQICEFRDWFDLN-AWEZNQCLSA-N 1 2 266.385 1.664 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCOC(C)(C)C1 ZINC000345799726 391314211 /nfs/dbraw/zinc/31/42/11/391314211.db2.gz ZXXWOWXHGJGRPD-LLVKDONJSA-N 1 2 265.357 1.048 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCOC(C)(C)C1 ZINC000345799726 391314218 /nfs/dbraw/zinc/31/42/18/391314218.db2.gz ZXXWOWXHGJGRPD-LLVKDONJSA-N 1 2 265.357 1.048 20 30 CDEDLO C[C@@H](C#N)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000345831780 391319498 /nfs/dbraw/zinc/31/94/98/391319498.db2.gz CFWJWOSAZFFBGD-RYUDHWBXSA-N 1 2 288.351 1.083 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCC(F)(F)F ZINC000346290817 391344442 /nfs/dbraw/zinc/34/44/42/391344442.db2.gz ZWNMVXWQZCYNLS-VIFPVBQESA-N 1 2 277.290 1.822 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CCC(F)(F)F ZINC000346290817 391344445 /nfs/dbraw/zinc/34/44/45/391344445.db2.gz ZWNMVXWQZCYNLS-VIFPVBQESA-N 1 2 277.290 1.822 20 30 CDEDLO N#CC1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000328612307 391345087 /nfs/dbraw/zinc/34/50/87/391345087.db2.gz PFSAKFKLASLSIG-ZDUSSCGKSA-N 1 2 287.367 1.910 20 30 CDEDLO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)NC2(C#N)CCC2)n1 ZINC000346443628 391356491 /nfs/dbraw/zinc/35/64/91/391356491.db2.gz XMZDUUXYPUXWIN-ZDUSSCGKSA-N 1 2 286.379 1.773 20 30 CDEDLO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)NC2(C#N)CCC2)n1 ZINC000346443628 391356495 /nfs/dbraw/zinc/35/64/95/391356495.db2.gz XMZDUUXYPUXWIN-ZDUSSCGKSA-N 1 2 286.379 1.773 20 30 CDEDLO C[C@H]1COc2ccccc2C[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000346953299 391378607 /nfs/dbraw/zinc/37/86/07/391378607.db2.gz WFTZGKFFKHYRIR-ZDUSSCGKSA-N 1 2 299.374 1.832 20 30 CDEDLO C[C@H]1COc2ccccc2C[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000346953299 391378608 /nfs/dbraw/zinc/37/86/08/391378608.db2.gz WFTZGKFFKHYRIR-ZDUSSCGKSA-N 1 2 299.374 1.832 20 30 CDEDLO C=CC[C@H](CO)NC(=O)[C@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000346955438 391379103 /nfs/dbraw/zinc/37/91/03/391379103.db2.gz OEQOZYBIVWXIJK-MCIONIFRSA-N 1 2 289.379 1.207 20 30 CDEDLO C[C@@H]1OCC[C@@H]1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000328913927 391392832 /nfs/dbraw/zinc/39/28/32/391392832.db2.gz INARVQDZEVEOEM-TUAOUCFPSA-N 1 2 278.356 1.301 20 30 CDEDLO Cc1ncncc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000328971383 391401210 /nfs/dbraw/zinc/40/12/10/391401210.db2.gz VDLNIUJVEPEVCC-VIFPVBQESA-N 1 2 257.297 1.370 20 30 CDEDLO Cc1ncncc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000328971383 391401212 /nfs/dbraw/zinc/40/12/12/391401212.db2.gz VDLNIUJVEPEVCC-VIFPVBQESA-N 1 2 257.297 1.370 20 30 CDEDLO CC[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000330615685 391459296 /nfs/dbraw/zinc/45/92/96/391459296.db2.gz CQKPETKFYUKFCK-RYUDHWBXSA-N 1 2 257.378 1.255 20 30 CDEDLO CC[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000330615685 391459300 /nfs/dbraw/zinc/45/93/00/391459300.db2.gz CQKPETKFYUKFCK-RYUDHWBXSA-N 1 2 257.378 1.255 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cscn1 ZINC000330616337 391459500 /nfs/dbraw/zinc/45/95/00/391459500.db2.gz DPHIIBUJHFBFKV-VIFPVBQESA-N 1 2 255.343 1.168 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cscn1 ZINC000330616337 391459505 /nfs/dbraw/zinc/45/95/05/391459505.db2.gz DPHIIBUJHFBFKV-VIFPVBQESA-N 1 2 255.343 1.168 20 30 CDEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(CCC#N)C1 ZINC000411672790 391507754 /nfs/dbraw/zinc/50/77/54/391507754.db2.gz JRSXKIGCLMKPQD-AWEZNQCLSA-N 1 2 267.373 1.296 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@@H](C(N)=O)O1 ZINC000439447397 391636719 /nfs/dbraw/zinc/63/67/19/391636719.db2.gz FTVHKJANKCDWHC-RNCFNFMXSA-N 1 2 293.754 1.286 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@@H](C(N)=O)O1 ZINC000439447397 391636722 /nfs/dbraw/zinc/63/67/22/391636722.db2.gz FTVHKJANKCDWHC-RNCFNFMXSA-N 1 2 293.754 1.286 20 30 CDEDLO Cc1nc(NCCCCC#N)nc(NCCCCC#N)[nH+]1 ZINC000359528051 391601385 /nfs/dbraw/zinc/60/13/85/391601385.db2.gz YFRDXRXITZSXQW-UHFFFAOYSA-N 1 2 287.371 1.235 20 30 CDEDLO C=CCOC[C@H]([NH2+]C[C@@H]1CC=CCC1)C(=O)OC ZINC000361113248 391683542 /nfs/dbraw/zinc/68/35/42/391683542.db2.gz LGPRXZZFXJVBEI-OLZOCXBDSA-N 1 2 253.342 1.677 20 30 CDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCCCCC#N ZINC000413227659 391719658 /nfs/dbraw/zinc/71/96/58/391719658.db2.gz AUFFIKIAOZGJCN-UHFFFAOYSA-N 1 2 282.388 1.090 20 30 CDEDLO CC[N@@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)[C@H](C)C1 ZINC000341794952 130033790 /nfs/dbraw/zinc/03/37/90/130033790.db2.gz DYLFCWABLHSRTM-LLVKDONJSA-N 1 2 273.336 1.430 20 30 CDEDLO CC[N@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)[C@H](C)C1 ZINC000341794952 130033793 /nfs/dbraw/zinc/03/37/93/130033793.db2.gz DYLFCWABLHSRTM-LLVKDONJSA-N 1 2 273.336 1.430 20 30 CDEDLO [O-]C(N[C@H]1CCc2[nH]c[nH+]c2C1)=[NH+]CC1=CCCOC1 ZINC000329722747 391759245 /nfs/dbraw/zinc/75/92/45/391759245.db2.gz NLDPTRBFPNANRJ-NSHDSACASA-N 1 2 276.340 1.117 20 30 CDEDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000189549281 391769327 /nfs/dbraw/zinc/76/93/27/391769327.db2.gz NGXLNAYWHWGZBH-ZIAGYGMSSA-N 1 2 274.320 1.057 20 30 CDEDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000189549281 391769332 /nfs/dbraw/zinc/76/93/32/391769332.db2.gz NGXLNAYWHWGZBH-ZIAGYGMSSA-N 1 2 274.320 1.057 20 30 CDEDLO C[C@]1(C(=O)NCC2([NH+]3CCOCC3)CC2)CCCO1 ZINC000329915496 391798465 /nfs/dbraw/zinc/79/84/65/391798465.db2.gz PQKLQHGBEVDMFV-CYBMUJFWSA-N 1 2 268.357 1.377 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413964749 391876785 /nfs/dbraw/zinc/87/67/85/391876785.db2.gz FQNVKFVFESVCEB-ZDUSSCGKSA-N 1 2 284.400 1.195 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000334297007 392063351 /nfs/dbraw/zinc/06/33/51/392063351.db2.gz CQTHIGAPRQQBNF-BLLLJJGKSA-N 1 2 267.332 1.908 20 30 CDEDLO C=C(C)C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000334297007 392063360 /nfs/dbraw/zinc/06/33/60/392063360.db2.gz CQTHIGAPRQQBNF-BLLLJJGKSA-N 1 2 267.332 1.908 20 30 CDEDLO N#CC1(C[N@@H+]2CCCN(c3nccs3)CC2)CC1 ZINC000343152943 392100295 /nfs/dbraw/zinc/10/02/95/392100295.db2.gz XWQWQLSKJAFILX-UHFFFAOYSA-N 1 2 262.382 1.959 20 30 CDEDLO N#CC1(C[N@H+]2CCCN(c3nccs3)CC2)CC1 ZINC000343152943 392100299 /nfs/dbraw/zinc/10/02/99/392100299.db2.gz XWQWQLSKJAFILX-UHFFFAOYSA-N 1 2 262.382 1.959 20 30 CDEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000263920161 131360620 /nfs/dbraw/zinc/36/06/20/131360620.db2.gz UORHGJORFQLRDE-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000459450055 392438170 /nfs/dbraw/zinc/43/81/70/392438170.db2.gz YAJHPOXHSZBDBD-GXTWGEPZSA-N 1 2 291.307 1.096 20 30 CDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCOC[C@@H]2C2CC2)cc1 ZINC000270912101 392512526 /nfs/dbraw/zinc/51/25/26/392512526.db2.gz OBUQOBFUCJAICL-MRXNPFEDSA-N 1 2 299.374 1.285 20 30 CDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCOC[C@@H]2C2CC2)cc1 ZINC000270912101 392512529 /nfs/dbraw/zinc/51/25/29/392512529.db2.gz OBUQOBFUCJAICL-MRXNPFEDSA-N 1 2 299.374 1.285 20 30 CDEDLO C=C[C@H](O)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000646683029 392649360 /nfs/dbraw/zinc/64/93/60/392649360.db2.gz FZGLFUIIUMLSBW-ZDUSSCGKSA-N 1 2 275.352 1.235 20 30 CDEDLO CC(C)c1nc(NCCCc2[nH]nc(N)c2C#N)cc[nH+]1 ZINC000110115240 392770696 /nfs/dbraw/zinc/77/06/96/392770696.db2.gz NXJWIIIHCLUWKR-UHFFFAOYSA-N 1 2 285.355 1.822 20 30 CDEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488991120 392846798 /nfs/dbraw/zinc/84/67/98/392846798.db2.gz WVSKTCBGYRSIRR-CABCVRRESA-N 1 2 288.347 1.365 20 30 CDEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488991120 392846802 /nfs/dbraw/zinc/84/68/02/392846802.db2.gz WVSKTCBGYRSIRR-CABCVRRESA-N 1 2 288.347 1.365 20 30 CDEDLO COCCOC[C@@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425223689 392997587 /nfs/dbraw/zinc/99/75/87/392997587.db2.gz CMNXNAYWUCOEHQ-CYBMUJFWSA-N 1 2 275.352 1.751 20 30 CDEDLO Cc1cc(NCCC(=O)OC(C)(C)C)c(C#N)c[nH+]1 ZINC000425231440 392999028 /nfs/dbraw/zinc/99/90/28/392999028.db2.gz NAVVQMJRMAIRHL-UHFFFAOYSA-N 1 2 261.325 1.827 20 30 CDEDLO Cc1cc(NCCCNC(=O)C(C)C)c(C#N)c[nH+]1 ZINC000425245743 393003731 /nfs/dbraw/zinc/00/37/31/393003731.db2.gz KBNSLWCFHAYFJU-UHFFFAOYSA-N 1 2 260.341 1.258 20 30 CDEDLO CCN1CC[NH+]([C@H](C)CNc2ccc(C#N)c(C)n2)CC1 ZINC000487926453 393335566 /nfs/dbraw/zinc/33/55/66/393335566.db2.gz CRDLFFBBLWXANE-CYBMUJFWSA-N 1 2 287.411 1.122 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000189324333 140112471 /nfs/dbraw/zinc/11/24/71/140112471.db2.gz DJGYBEOWTQKORU-NSHDSACASA-N 1 2 273.336 1.277 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000189324333 140112472 /nfs/dbraw/zinc/11/24/72/140112472.db2.gz DJGYBEOWTQKORU-NSHDSACASA-N 1 2 273.336 1.277 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000094507775 147090207 /nfs/dbraw/zinc/09/02/07/147090207.db2.gz UMVGYFKHSKDCGD-LLVKDONJSA-N 1 2 290.348 1.122 20 30 CDEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCN(CC)C1=O ZINC000660538333 413212602 /nfs/dbraw/zinc/21/26/02/413212602.db2.gz OSPCLEWTLSCQOP-HNNXBMFYSA-N 1 2 292.379 1.771 20 30 CDEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCN(CC)C1=O ZINC000660538333 413212611 /nfs/dbraw/zinc/21/26/11/413212611.db2.gz OSPCLEWTLSCQOP-HNNXBMFYSA-N 1 2 292.379 1.771 20 30 CDEDLO CO[C@]1(C)CCCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329539805 286154457 /nfs/dbraw/zinc/15/44/57/286154457.db2.gz CPIIEIXIZVGVIX-XHDPSFHLSA-N 1 2 292.383 1.682 20 30 CDEDLO CO[C@]1(C)CCCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329539805 286154458 /nfs/dbraw/zinc/15/44/58/286154458.db2.gz CPIIEIXIZVGVIX-XHDPSFHLSA-N 1 2 292.383 1.682 20 30 CDEDLO Cc1cccc(S(=O)(=O)NCc2c[nH+]cn2C)c1C#N ZINC000349772758 154213542 /nfs/dbraw/zinc/21/35/42/154213542.db2.gz DTMCIDZZZFINCE-UHFFFAOYSA-N 1 2 290.348 1.079 20 30 CDEDLO CC[N@H+](C[C@H](C)O)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000352220795 155032499 /nfs/dbraw/zinc/03/24/99/155032499.db2.gz JWCPDPMZYIQQOS-FZMZJTMJSA-N 1 2 276.336 1.475 20 30 CDEDLO CC[N@@H+](C[C@H](C)O)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000352220795 155032500 /nfs/dbraw/zinc/03/25/00/155032500.db2.gz JWCPDPMZYIQQOS-FZMZJTMJSA-N 1 2 276.336 1.475 20 30 CDEDLO CN1CCO[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC000353742707 156054398 /nfs/dbraw/zinc/05/43/98/156054398.db2.gz AYUBUNOKKRGZTJ-CABCVRRESA-N 1 2 257.337 1.073 20 30 CDEDLO CN1CCO[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC000353742707 156054399 /nfs/dbraw/zinc/05/43/99/156054399.db2.gz AYUBUNOKKRGZTJ-CABCVRRESA-N 1 2 257.337 1.073 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3ccccc3C#N)C[C@H]21 ZINC000353742707 156054401 /nfs/dbraw/zinc/05/44/01/156054401.db2.gz AYUBUNOKKRGZTJ-CABCVRRESA-N 1 2 257.337 1.073 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3ccccc3C#N)C[C@H]21 ZINC000353742707 156054402 /nfs/dbraw/zinc/05/44/02/156054402.db2.gz AYUBUNOKKRGZTJ-CABCVRRESA-N 1 2 257.337 1.073 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCCC[C@H]2OCC)nn1 ZINC000656466795 413321380 /nfs/dbraw/zinc/32/13/80/413321380.db2.gz FQMLUFAELRUCBD-HUUCEWRRSA-N 1 2 276.384 1.911 20 30 CDEDLO CC(=O)NCCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000362069534 159057734 /nfs/dbraw/zinc/05/77/34/159057734.db2.gz VNQXBVHUCJSUCP-INIZCTEOSA-N 1 2 287.363 1.458 20 30 CDEDLO CC(=O)NCCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000362069534 159057735 /nfs/dbraw/zinc/05/77/35/159057735.db2.gz VNQXBVHUCJSUCP-INIZCTEOSA-N 1 2 287.363 1.458 20 30 CDEDLO Cn1ncnc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000362103104 159073507 /nfs/dbraw/zinc/07/35/07/159073507.db2.gz PIRASQJWHBUOIJ-UHFFFAOYSA-N 1 2 279.347 1.976 20 30 CDEDLO Cn1ncnc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000362103104 159073511 /nfs/dbraw/zinc/07/35/11/159073511.db2.gz PIRASQJWHBUOIJ-UHFFFAOYSA-N 1 2 279.347 1.976 20 30 CDEDLO Cc1cc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)c(C)c2)no1 ZINC000362953690 159275485 /nfs/dbraw/zinc/27/54/85/159275485.db2.gz BUUQHFTWKWZNEI-UHFFFAOYSA-N 1 2 298.346 1.656 20 30 CDEDLO Cc1cc(NC(=O)C[N@H+](C)Cc2ccc(C#N)c(C)c2)no1 ZINC000362953690 159275487 /nfs/dbraw/zinc/27/54/87/159275487.db2.gz BUUQHFTWKWZNEI-UHFFFAOYSA-N 1 2 298.346 1.656 20 30 CDEDLO N#Cc1cccc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000371483929 160015433 /nfs/dbraw/zinc/01/54/33/160015433.db2.gz XPYZFXBFBCUBTB-CQSZACIVSA-N 1 2 280.331 1.634 20 30 CDEDLO CC[NH+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000019998737 170964910 /nfs/dbraw/zinc/96/49/10/170964910.db2.gz LBNZRHZVJQDJMA-UHFFFAOYSA-N 1 2 293.392 1.026 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCCc1ccccc1C ZINC000575134923 335071231 /nfs/dbraw/zinc/07/12/31/335071231.db2.gz MIXLSYCJWXVKRV-OAHLLOKOSA-N 1 2 273.380 1.936 20 30 CDEDLO CCCC[N@H+](CC(N)=O)Cc1cc(C#N)ccc1F ZINC000045805678 175383845 /nfs/dbraw/zinc/38/38/45/175383845.db2.gz UPUAEJWSZNRDPD-UHFFFAOYSA-N 1 2 263.316 1.785 20 30 CDEDLO CCCC[N@@H+](CC(N)=O)Cc1cc(C#N)ccc1F ZINC000045805678 175383846 /nfs/dbraw/zinc/38/38/46/175383846.db2.gz UPUAEJWSZNRDPD-UHFFFAOYSA-N 1 2 263.316 1.785 20 30 CDEDLO C[C@H](C#N)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000347974226 226397124 /nfs/dbraw/zinc/39/71/24/226397124.db2.gz UVRSLQZCBIEHJQ-GFCCVEGCSA-N 1 2 273.336 1.617 20 30 CDEDLO O=C(C[N@@H+]1CCO[C@]2(CCCOC2)C1)NCC1CC1 ZINC000329067497 227280649 /nfs/dbraw/zinc/28/06/49/227280649.db2.gz LYFYZDUHEBFHKI-CQSZACIVSA-N 1 2 268.357 1.234 20 30 CDEDLO O=C(C[N@H+]1CCO[C@]2(CCCOC2)C1)NCC1CC1 ZINC000329067497 227280652 /nfs/dbraw/zinc/28/06/52/227280652.db2.gz LYFYZDUHEBFHKI-CQSZACIVSA-N 1 2 268.357 1.234 20 30 CDEDLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@H]1CCCNC1=O ZINC000330027906 228020207 /nfs/dbraw/zinc/02/02/07/228020207.db2.gz NTWXWYJBAKBZMW-NSHDSACASA-N 1 2 287.323 1.457 20 30 CDEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000331557404 228111547 /nfs/dbraw/zinc/11/15/47/228111547.db2.gz CCHJMBMJGQWUHU-JQWIXIFHSA-N 1 2 287.319 1.636 20 30 CDEDLO N#CC1(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCC1 ZINC000333886256 228218979 /nfs/dbraw/zinc/21/89/79/228218979.db2.gz FWCZUJJSCIOPLO-LBPRGKRZSA-N 1 2 287.367 1.993 20 30 CDEDLO CC1(C#N)CC[NH+](CC2(CS(C)(=O)=O)CC2)CC1 ZINC000408157736 260314676 /nfs/dbraw/zinc/31/46/76/260314676.db2.gz GCZVUXAROXYYGM-UHFFFAOYSA-N 1 2 270.398 1.437 20 30 CDEDLO N#C[C@@H]1COCCN1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000177106424 261686838 /nfs/dbraw/zinc/68/68/38/261686838.db2.gz FBDJKPTZZQZVDD-GFCCVEGCSA-N 1 2 276.727 1.712 20 30 CDEDLO Cc1nc(CC(N)=[NH+]OCC[C@H]2CCCO2)cs1 ZINC000189251119 262169826 /nfs/dbraw/zinc/16/98/26/262169826.db2.gz XIXJUKRMZPJBBF-LLVKDONJSA-N 1 2 269.370 1.852 20 30 CDEDLO C[C@H]1C[N@H+](CCN(CCC#N)Cc2ccccn2)CCO1 ZINC000191532606 262193129 /nfs/dbraw/zinc/19/31/29/262193129.db2.gz XBOQAENRCKFOFF-HNNXBMFYSA-N 1 2 288.395 1.518 20 30 CDEDLO C[C@H]1C[N@@H+](CCN(CCC#N)Cc2ccccn2)CCO1 ZINC000191532606 262193130 /nfs/dbraw/zinc/19/31/30/262193130.db2.gz XBOQAENRCKFOFF-HNNXBMFYSA-N 1 2 288.395 1.518 20 30 CDEDLO COC(=O)c1ccc(C[N@H+](CCC#N)CC2CC2)[nH]1 ZINC000272777394 263008682 /nfs/dbraw/zinc/00/86/82/263008682.db2.gz UVQGQRCQIODVFL-UHFFFAOYSA-N 1 2 261.325 1.927 20 30 CDEDLO COC(=O)c1ccc(C[N@@H+](CCC#N)CC2CC2)[nH]1 ZINC000272777394 263008683 /nfs/dbraw/zinc/00/86/83/263008683.db2.gz UVQGQRCQIODVFL-UHFFFAOYSA-N 1 2 261.325 1.927 20 30 CDEDLO N#CCC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000274216937 263021978 /nfs/dbraw/zinc/02/19/78/263021978.db2.gz PRPGVLGDJOFNQB-UHFFFAOYSA-N 1 2 258.325 1.602 20 30 CDEDLO CCc1cc(N)nc(S[C@@H](C)C(=O)N(C)CCC#N)[nH+]1 ZINC000279136037 263053270 /nfs/dbraw/zinc/05/32/70/263053270.db2.gz XHQIQRFRSYOTGM-VIFPVBQESA-N 1 2 293.396 1.474 20 30 CDEDLO NC(=[NH+]OCc1c(F)cccc1F)[C@@H]1CCCO1 ZINC000284621535 263087689 /nfs/dbraw/zinc/08/76/89/263087689.db2.gz ZPMLMBQKEYNVPC-NSHDSACASA-N 1 2 256.252 1.933 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000340201837 263091435 /nfs/dbraw/zinc/09/14/35/263091435.db2.gz PFMOBMADKWFBHI-GXSJLCMTSA-N 1 2 280.290 1.066 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000340201837 263091436 /nfs/dbraw/zinc/09/14/36/263091436.db2.gz PFMOBMADKWFBHI-GXSJLCMTSA-N 1 2 280.290 1.066 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292193569 263129361 /nfs/dbraw/zinc/12/93/61/263129361.db2.gz NGOGTGPWUQERAU-CABCVRRESA-N 1 2 295.346 1.850 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292193569 263129362 /nfs/dbraw/zinc/12/93/62/263129362.db2.gz NGOGTGPWUQERAU-CABCVRRESA-N 1 2 295.346 1.850 20 30 CDEDLO CCC[C@H](C)C(=O)NCC/[NH+]=C/c1ccc(O)c(O)c1O ZINC000292397459 263131848 /nfs/dbraw/zinc/13/18/48/263131848.db2.gz WUORMQXDDHUFCW-JSJZUPIVSA-N 1 2 294.351 1.775 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000340998417 263315840 /nfs/dbraw/zinc/31/58/40/263315840.db2.gz NATHFRVMQHNJNE-CHWSQXEVSA-N 1 2 260.341 1.127 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000340998417 263315841 /nfs/dbraw/zinc/31/58/41/263315841.db2.gz NATHFRVMQHNJNE-CHWSQXEVSA-N 1 2 260.341 1.127 20 30 CDEDLO C=CCC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccco1 ZINC000353671810 263361855 /nfs/dbraw/zinc/36/18/55/263361855.db2.gz LZDPAUHKZJGTPR-DZGCQCFKSA-N 1 2 264.369 1.943 20 30 CDEDLO C=CCC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccco1 ZINC000353671810 263361856 /nfs/dbraw/zinc/36/18/56/263361856.db2.gz LZDPAUHKZJGTPR-DZGCQCFKSA-N 1 2 264.369 1.943 20 30 CDEDLO COCC1(C#N)CC[NH+](CC(=O)N[C@H](C)C(C)C)CC1 ZINC000341998324 263374044 /nfs/dbraw/zinc/37/40/44/263374044.db2.gz XROVVETXJPTTSY-CYBMUJFWSA-N 1 2 281.400 1.399 20 30 CDEDLO N#CCSCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000330760141 264031285 /nfs/dbraw/zinc/03/12/85/264031285.db2.gz 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/nfs/dbraw/zinc/31/07/19/424310719.db2.gz XHXDIGNYJKRYCY-GFCCVEGCSA-N 1 2 250.346 1.465 20 30 CDEDLO C=CCOCCNC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000652511962 424511335 /nfs/dbraw/zinc/51/13/35/424511335.db2.gz FRYZDPKKQUCHNV-LLVKDONJSA-N 1 2 266.345 1.466 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000357592262 266332274 /nfs/dbraw/zinc/33/22/74/266332274.db2.gz IJPRXOQJFFUIGJ-UHFFFAOYSA-N 1 2 285.391 1.879 20 30 CDEDLO C=C[C@@H](CO)NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000358460002 266467557 /nfs/dbraw/zinc/46/75/57/266467557.db2.gz OTVIHQUIPWLKHZ-JTQLQIEISA-N 1 2 294.742 1.334 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCOC[C@@H]1CC ZINC000115573569 267099954 /nfs/dbraw/zinc/09/99/54/267099954.db2.gz GDHTWRZWWDKEEV-ZDUSSCGKSA-N 1 2 252.358 1.298 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCOC[C@@H]1CC ZINC000115573569 267099957 /nfs/dbraw/zinc/09/99/57/267099957.db2.gz GDHTWRZWWDKEEV-ZDUSSCGKSA-N 1 2 252.358 1.298 20 30 CDEDLO CC[C@H](CC#N)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000368342385 267164288 /nfs/dbraw/zinc/16/42/88/267164288.db2.gz UZSPVOBHUUEXSF-GFCCVEGCSA-N 1 2 277.393 1.915 20 30 CDEDLO CC[C@H](CC#N)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC000368342385 267164292 /nfs/dbraw/zinc/16/42/92/267164292.db2.gz UZSPVOBHUUEXSF-GFCCVEGCSA-N 1 2 277.393 1.915 20 30 CDEDLO CC(C)CNC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352482651 277420796 /nfs/dbraw/zinc/42/07/96/277420796.db2.gz GTOGZEGCXGIJNI-LLVKDONJSA-N 1 2 255.337 1.475 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000345598978 277832714 /nfs/dbraw/zinc/83/27/14/277832714.db2.gz CNNBLMDQRCSHGQ-HUUCEWRRSA-N 1 2 296.411 1.291 20 30 CDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ncc(C#N)cc1F ZINC000413281865 278904195 /nfs/dbraw/zinc/90/41/95/278904195.db2.gz OBKDYUNPAGFQPM-DGCLKSJQSA-N 1 2 290.342 1.392 20 30 CDEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cc(C#N)c[nH]2)C[C@H](C)O1 ZINC000193699608 289334430 /nfs/dbraw/zinc/33/44/30/289334430.db2.gz KVVCSKJURSSZJG-TXEJJXNPSA-N 1 2 290.367 1.068 20 30 CDEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cc(C#N)c[nH]2)C[C@H](C)O1 ZINC000193699608 289334434 /nfs/dbraw/zinc/33/44/34/289334434.db2.gz KVVCSKJURSSZJG-TXEJJXNPSA-N 1 2 290.367 1.068 20 30 CDEDLO N#Cc1c2c(cnc1N1CCn3c[nH+]cc3C1)CCC2 ZINC000564878729 293442548 /nfs/dbraw/zinc/44/25/48/293442548.db2.gz MSQXQOXPIXURCL-UHFFFAOYSA-N 1 2 265.320 1.659 20 30 CDEDLO Cc1cc(N[C@@H]2CCCN(c3ccnn3C)C2)c(C#N)c[nH+]1 ZINC000568503589 294047069 /nfs/dbraw/zinc/04/70/69/294047069.db2.gz RKSAZNIAVQRIBZ-CQSZACIVSA-N 1 2 296.378 1.498 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000175485745 303178844 /nfs/dbraw/zinc/17/88/44/303178844.db2.gz VOXIUGABTYIIGK-LBPRGKRZSA-N 1 2 269.308 1.977 20 30 CDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCC2CC2)c1=O ZINC000563440392 316311307 /nfs/dbraw/zinc/31/13/07/316311307.db2.gz QECAZAUPGZWTMG-UHFFFAOYSA-N 1 2 287.363 1.352 20 30 CDEDLO Cc1cc(NCCO[C@@H]2CCCCO2)c(C#N)c[nH+]1 ZINC000563530576 316325347 /nfs/dbraw/zinc/32/53/47/316325347.db2.gz BTUBADFAPIIBSG-CQSZACIVSA-N 1 2 261.325 1.639 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc2ccncc2n1 ZINC000563220176 327980203 /nfs/dbraw/zinc/98/02/03/327980203.db2.gz GTRIHGQIOCTYET-OAHLLOKOSA-N 1 2 283.335 1.203 20 30 CDEDLO CC(C)(C#N)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000339231933 328002986 /nfs/dbraw/zinc/00/29/86/328002986.db2.gz OZQAIPXWZMXCCB-UHFFFAOYSA-N 1 2 267.373 1.153 20 30 CDEDLO N#CCC[NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000571315638 328104680 /nfs/dbraw/zinc/10/46/80/328104680.db2.gz LOHRZPHFGWLKDU-CQSZACIVSA-N 1 2 273.336 1.807 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCN(C)C[C@H]1CC ZINC000571517620 328131261 /nfs/dbraw/zinc/13/12/61/328131261.db2.gz OKFIYBGMGADQMK-CQSZACIVSA-N 1 2 265.401 1.213 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCN(C)C[C@H]1CC ZINC000571517620 328131262 /nfs/dbraw/zinc/13/12/62/328131262.db2.gz OKFIYBGMGADQMK-CQSZACIVSA-N 1 2 265.401 1.213 20 30 CDEDLO Cc1ccncc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000269602406 328190909 /nfs/dbraw/zinc/19/09/09/328190909.db2.gz LNFUQNGSDVLAMR-UHFFFAOYSA-N 1 2 288.395 1.438 20 30 CDEDLO CC[N@H+](CCS(C)(=O)=O)Cc1ccc(OCC#N)cc1 ZINC000269976911 328191385 /nfs/dbraw/zinc/19/13/85/328191385.db2.gz VFPTYMHURHZDBV-UHFFFAOYSA-N 1 2 296.392 1.455 20 30 CDEDLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccc(OCC#N)cc1 ZINC000269976911 328191386 /nfs/dbraw/zinc/19/13/86/328191386.db2.gz VFPTYMHURHZDBV-UHFFFAOYSA-N 1 2 296.392 1.455 20 30 CDEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000582881922 325061485 /nfs/dbraw/zinc/06/14/85/325061485.db2.gz GSOZNSOTULZKEY-UHFFFAOYSA-N 1 2 298.346 1.361 20 30 CDEDLO CC(C)CCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000060855791 327023008 /nfs/dbraw/zinc/02/30/08/327023008.db2.gz VHYFSJYMVQFGNO-UHFFFAOYSA-N 1 2 281.400 1.497 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000584180839 327060666 /nfs/dbraw/zinc/06/06/66/327060666.db2.gz GCGAOTRRZPLUGT-LSDHHAIUSA-N 1 2 276.384 1.227 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000584180839 327060664 /nfs/dbraw/zinc/06/06/64/327060664.db2.gz GCGAOTRRZPLUGT-LSDHHAIUSA-N 1 2 276.384 1.227 20 30 CDEDLO CC1CC(C#N)(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)C1 ZINC000561204827 327375258 /nfs/dbraw/zinc/37/52/58/327375258.db2.gz FALXUXDSARXCNT-WJEHIRDRSA-N 1 2 291.395 1.248 20 30 CDEDLO C=CCSCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000561316323 327385373 /nfs/dbraw/zinc/38/53/73/327385373.db2.gz RPRJXPCABFCDHC-LLVKDONJSA-N 1 2 265.382 1.481 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCSCC1 ZINC000103467427 328769638 /nfs/dbraw/zinc/76/96/38/328769638.db2.gz CQUURRFDRZQSHJ-LLVKDONJSA-N 1 2 255.387 1.043 20 30 CDEDLO CC#CCCCC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000375122019 329001001 /nfs/dbraw/zinc/00/10/01/329001001.db2.gz XZBIAXHFTMLMFY-CYBMUJFWSA-N 1 2 259.353 1.930 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CCOC[C@H]2CC(=O)OC)cc1 ZINC000377871343 329032661 /nfs/dbraw/zinc/03/26/61/329032661.db2.gz YVOUXYKFGCPCID-OAHLLOKOSA-N 1 2 273.332 1.432 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CCOC[C@H]2CC(=O)OC)cc1 ZINC000377871343 329032663 /nfs/dbraw/zinc/03/26/63/329032663.db2.gz YVOUXYKFGCPCID-OAHLLOKOSA-N 1 2 273.332 1.432 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000177457173 329184364 /nfs/dbraw/zinc/18/43/64/329184364.db2.gz FTYQIYACYQSQCX-UHFFFAOYSA-N 1 2 276.336 1.597 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000177457173 329184365 /nfs/dbraw/zinc/18/43/65/329184365.db2.gz FTYQIYACYQSQCX-UHFFFAOYSA-N 1 2 276.336 1.597 20 30 CDEDLO COC(=O)[C@H]([NH+]1CCC(F)(C#N)CC1)C1(OC)CCC1 ZINC000459460659 329255859 /nfs/dbraw/zinc/25/58/59/329255859.db2.gz IUCLWNZZDCKNMT-NSHDSACASA-N 1 2 284.331 1.425 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCCN(CC)CC1 ZINC000265870571 330063478 /nfs/dbraw/zinc/06/34/78/330063478.db2.gz VQNZSAOGELXUPG-OAHLLOKOSA-N 1 2 279.428 1.603 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCCN(CC)CC1 ZINC000265870571 330063479 /nfs/dbraw/zinc/06/34/79/330063479.db2.gz VQNZSAOGELXUPG-OAHLLOKOSA-N 1 2 279.428 1.603 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000527191516 330231910 /nfs/dbraw/zinc/23/19/10/330231910.db2.gz FCWLKVHIRKCWAP-GXTWGEPZSA-N 1 2 254.374 1.426 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000527191516 330231911 /nfs/dbraw/zinc/23/19/11/330231911.db2.gz FCWLKVHIRKCWAP-GXTWGEPZSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2sccc2OC)nn1 ZINC000424166833 330309454 /nfs/dbraw/zinc/30/94/54/330309454.db2.gz BNEIRUPVBMAQBR-UHFFFAOYSA-N 1 2 264.354 1.824 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccc(COC)o2)nn1 ZINC000424169282 330310674 /nfs/dbraw/zinc/31/06/74/330310674.db2.gz HUJNMFHVSCXBKQ-UHFFFAOYSA-N 1 2 262.313 1.493 20 30 CDEDLO N#CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000528332048 330319241 /nfs/dbraw/zinc/31/92/41/330319241.db2.gz WNMDXCJTCACZEA-CYBMUJFWSA-N 1 2 277.755 1.944 20 30 CDEDLO N#CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000528332048 330319242 /nfs/dbraw/zinc/31/92/42/330319242.db2.gz WNMDXCJTCACZEA-CYBMUJFWSA-N 1 2 277.755 1.944 20 30 CDEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cc(OC)ncc2F)nn1 ZINC000424293138 330335178 /nfs/dbraw/zinc/33/51/78/330335178.db2.gz IBVCXUIUXZBTRO-JTQLQIEISA-N 1 2 291.330 1.858 20 30 CDEDLO C#CC[N@@H+](Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000108866550 330358154 /nfs/dbraw/zinc/35/81/54/330358154.db2.gz LWVAUOYEJXQLQR-OAHLLOKOSA-N 1 2 277.389 1.617 20 30 CDEDLO C#CC[N@H+](Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000108866550 330358155 /nfs/dbraw/zinc/35/81/55/330358155.db2.gz LWVAUOYEJXQLQR-OAHLLOKOSA-N 1 2 277.389 1.617 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000424586304 330390162 /nfs/dbraw/zinc/39/01/62/330390162.db2.gz FCIXNMBNALDNHR-LBPRGKRZSA-N 1 2 254.374 1.426 20 30 CDEDLO C=C(C)CCNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000454245861 331142761 /nfs/dbraw/zinc/14/27/61/331142761.db2.gz LNCJBWSOIAKHSU-UHFFFAOYSA-N 1 2 262.357 1.913 20 30 CDEDLO C=CCCOCCNC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000454719235 331152210 /nfs/dbraw/zinc/15/22/10/331152210.db2.gz QUTHIWSQIUVSJB-GFCCVEGCSA-N 1 2 280.372 1.856 20 30 CDEDLO C=C(CC)CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000455515497 331171306 /nfs/dbraw/zinc/17/13/06/331171306.db2.gz BBPPPFCUWBHVMZ-GFCCVEGCSA-N 1 2 262.357 1.885 20 30 CDEDLO CC#CCN(C)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000458586194 331253693 /nfs/dbraw/zinc/25/36/93/331253693.db2.gz VTENNRXVPHTTMZ-CYBMUJFWSA-N 1 2 274.368 1.734 20 30 CDEDLO COCC[N@H+](Cc1c(C)nn(C)c1C)CC1(C#N)CC1 ZINC000459588503 331289599 /nfs/dbraw/zinc/28/95/99/331289599.db2.gz XRXOIEDIZGDTQU-UHFFFAOYSA-N 1 2 276.384 1.789 20 30 CDEDLO COCC[N@@H+](Cc1c(C)nn(C)c1C)CC1(C#N)CC1 ZINC000459588503 331289600 /nfs/dbraw/zinc/28/96/00/331289600.db2.gz XRXOIEDIZGDTQU-UHFFFAOYSA-N 1 2 276.384 1.789 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459790595 331300995 /nfs/dbraw/zinc/30/09/95/331300995.db2.gz MIQHKWNWHHLBNR-LBPRGKRZSA-N 1 2 264.373 1.495 20 30 CDEDLO C=CCn1cccc1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000488589732 332019494 /nfs/dbraw/zinc/01/94/94/332019494.db2.gz DDUPIFNBUATDRL-UHFFFAOYSA-N 1 2 291.395 1.515 20 30 CDEDLO C#CC[NH+]1CCN(Cn2cc(-c3ccccc3)cn2)CC1 ZINC000490594478 332093989 /nfs/dbraw/zinc/09/39/89/332093989.db2.gz PPCVKCMIHPNSAU-UHFFFAOYSA-N 1 2 280.375 1.758 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cnc(C)s1 ZINC000490614516 332095246 /nfs/dbraw/zinc/09/52/46/332095246.db2.gz ACHZAHYEDYOULE-LLVKDONJSA-N 1 2 264.350 1.706 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cnc(C)s1 ZINC000490614516 332095247 /nfs/dbraw/zinc/09/52/47/332095247.db2.gz ACHZAHYEDYOULE-LLVKDONJSA-N 1 2 264.350 1.706 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(C)ccc2C)CC1 ZINC000490799070 332115875 /nfs/dbraw/zinc/11/58/75/332115875.db2.gz AYXURHVVPHSTAI-UHFFFAOYSA-N 1 2 285.391 1.493 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2cc(C)cc(C)c2)CC1 ZINC000491072710 332146853 /nfs/dbraw/zinc/14/68/53/332146853.db2.gz VDLDWGZOTHSYIK-UHFFFAOYSA-N 1 2 286.375 1.460 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCCOCC(F)(F)F ZINC000491338383 332192457 /nfs/dbraw/zinc/19/24/57/332192457.db2.gz IBDXCMGUOYPHSR-SNVBAGLBSA-N 1 2 251.248 1.289 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCCOCC(F)(F)F ZINC000491338383 332192458 /nfs/dbraw/zinc/19/24/58/332192458.db2.gz IBDXCMGUOYPHSR-SNVBAGLBSA-N 1 2 251.248 1.289 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000491360578 332196480 /nfs/dbraw/zinc/19/64/80/332196480.db2.gz GPNNFZKUFAYRFK-GXTWGEPZSA-N 1 2 285.347 1.061 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000491360578 332196482 /nfs/dbraw/zinc/19/64/82/332196482.db2.gz GPNNFZKUFAYRFK-GXTWGEPZSA-N 1 2 285.347 1.061 20 30 CDEDLO C#CC[N@@H+](CC#CC)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000491375222 332200097 /nfs/dbraw/zinc/20/00/97/332200097.db2.gz VGSFAIAJMMJNPH-GFCCVEGCSA-N 1 2 286.297 1.498 20 30 CDEDLO C#CC[N@H+](CC#CC)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000491375222 332200100 /nfs/dbraw/zinc/20/01/00/332200100.db2.gz VGSFAIAJMMJNPH-GFCCVEGCSA-N 1 2 286.297 1.498 20 30 CDEDLO C#CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000491644014 332262597 /nfs/dbraw/zinc/26/25/97/332262597.db2.gz IFIKYZTWHLYXTN-HNNXBMFYSA-N 1 2 286.375 1.369 20 30 CDEDLO C#C[C@H](CCC)NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000491652732 332265449 /nfs/dbraw/zinc/26/54/49/332265449.db2.gz MMHBTMZVWIPDQE-IJLUTSLNSA-N 1 2 260.341 1.990 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000491673229 332279584 /nfs/dbraw/zinc/27/95/84/332279584.db2.gz UDBSFJHODZKXPT-LSDHHAIUSA-N 1 2 260.381 1.734 20 30 CDEDLO C#C[C@@H]1COCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000491682790 332285436 /nfs/dbraw/zinc/28/54/36/332285436.db2.gz UTFAKSYIXCTMKJ-MRXNPFEDSA-N 1 2 295.342 1.406 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(-c2ccc(OC)nn2)no1 ZINC000491701828 332296196 /nfs/dbraw/zinc/29/61/96/332296196.db2.gz FRMFTOBHVPJVKD-UHFFFAOYSA-N 1 2 287.323 1.379 20 30 CDEDLO C#CC(C)(C)[N@H+](C)Cc1nc(-c2ccc(OC)nn2)no1 ZINC000491701828 332296197 /nfs/dbraw/zinc/29/61/97/332296197.db2.gz FRMFTOBHVPJVKD-UHFFFAOYSA-N 1 2 287.323 1.379 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1C ZINC000491706731 332299677 /nfs/dbraw/zinc/29/96/77/332299677.db2.gz FCSBICXNJFHYOM-AWEZNQCLSA-N 1 2 272.348 1.658 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1C ZINC000491706731 332299679 /nfs/dbraw/zinc/29/96/79/332299679.db2.gz FCSBICXNJFHYOM-AWEZNQCLSA-N 1 2 272.348 1.658 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000491713250 332304395 /nfs/dbraw/zinc/30/43/95/332304395.db2.gz ZQFLAXPWNJXEEG-CYBMUJFWSA-N 1 2 288.395 1.112 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)CCSC)n1 ZINC000491715504 332305683 /nfs/dbraw/zinc/30/56/83/332305683.db2.gz KBMPMSGBHUXNBP-UHFFFAOYSA-N 1 2 267.398 1.328 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)CCSC)n1 ZINC000491715504 332305685 /nfs/dbraw/zinc/30/56/85/332305685.db2.gz KBMPMSGBHUXNBP-UHFFFAOYSA-N 1 2 267.398 1.328 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccccc1C(=O)N(C)C ZINC000491739190 332318648 /nfs/dbraw/zinc/31/86/48/332318648.db2.gz XIHQUDHEPYTRCB-UHFFFAOYSA-N 1 2 254.333 1.457 20 30 CDEDLO C#CC(C)(C)[N@H+](C)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000491767712 332335441 /nfs/dbraw/zinc/33/54/41/332335441.db2.gz JJBCPMMRUVWOAK-AWEZNQCLSA-N 1 2 295.404 1.467 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000491767712 332335442 /nfs/dbraw/zinc/33/54/42/332335442.db2.gz JJBCPMMRUVWOAK-AWEZNQCLSA-N 1 2 295.404 1.467 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCCN1C(=O)c2ccccc2C1=O ZINC000491779212 332344336 /nfs/dbraw/zinc/34/43/36/332344336.db2.gz ZKTGSLIOHJXGLY-ZDUSSCGKSA-N 1 2 298.342 1.007 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCCN1C(=O)c2ccccc2C1=O ZINC000491779212 332344337 /nfs/dbraw/zinc/34/43/37/332344337.db2.gz ZKTGSLIOHJXGLY-ZDUSSCGKSA-N 1 2 298.342 1.007 20 30 CDEDLO C#C[C@@H](NC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C)C(C)C ZINC000491779964 332344397 /nfs/dbraw/zinc/34/43/97/332344397.db2.gz JRZMDFLTPYAQKM-CYBMUJFWSA-N 1 2 287.363 1.719 20 30 CDEDLO C#CCN(C)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000491788273 332350687 /nfs/dbraw/zinc/35/06/87/332350687.db2.gz XFPGFOSIPNJBIR-UHFFFAOYSA-N 1 2 289.360 1.185 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@H](O)CCc1ccccc1 ZINC000491806257 332359532 /nfs/dbraw/zinc/35/95/32/332359532.db2.gz QVMYWGHCCMAETE-JKSUJKDBSA-N 1 2 259.349 1.314 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](O)CCc1ccccc1 ZINC000491806257 332359533 /nfs/dbraw/zinc/35/95/33/332359533.db2.gz QVMYWGHCCMAETE-JKSUJKDBSA-N 1 2 259.349 1.314 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000491816387 332367159 /nfs/dbraw/zinc/36/71/59/332367159.db2.gz HFQARWZLWCUZHL-LLVKDONJSA-N 1 2 276.336 1.596 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000491816387 332367160 /nfs/dbraw/zinc/36/71/60/332367160.db2.gz HFQARWZLWCUZHL-LLVKDONJSA-N 1 2 276.336 1.596 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)/C=C\c1[nH+]ccn1CC ZINC000492302112 332391527 /nfs/dbraw/zinc/39/15/27/332391527.db2.gz XORYRPBSDVKTGN-DGMVEKRQSA-N 1 2 260.341 1.924 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000192235835 333233432 /nfs/dbraw/zinc/23/34/32/333233432.db2.gz FOJZEJFWXJDODI-HNNXBMFYSA-N 1 2 290.338 1.291 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000192235835 333233433 /nfs/dbraw/zinc/23/34/33/333233433.db2.gz FOJZEJFWXJDODI-HNNXBMFYSA-N 1 2 290.338 1.291 20 30 CDEDLO C#CC[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000192234385 333233540 /nfs/dbraw/zinc/23/35/40/333233540.db2.gz GYZKMKVTNDJKHR-UHFFFAOYSA-N 1 2 272.264 1.710 20 30 CDEDLO C#CC[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000192234385 333233541 /nfs/dbraw/zinc/23/35/41/333233541.db2.gz GYZKMKVTNDJKHR-UHFFFAOYSA-N 1 2 272.264 1.710 20 30 CDEDLO C[C@H]1C[N@H+](CCN(CC#N)C2CCCC2)CCO1 ZINC000192744235 333238820 /nfs/dbraw/zinc/23/88/20/333238820.db2.gz DDEJWCSYJHUMKX-ZDUSSCGKSA-N 1 2 251.374 1.475 20 30 CDEDLO C[C@H]1C[N@@H+](CCN(CC#N)C2CCCC2)CCO1 ZINC000192744235 333238822 /nfs/dbraw/zinc/23/88/22/333238822.db2.gz DDEJWCSYJHUMKX-ZDUSSCGKSA-N 1 2 251.374 1.475 20 30 CDEDLO C=CCn1cc(CNC(=O)Nc2c(C)cc[nH+]c2C)nn1 ZINC000567736406 334757008 /nfs/dbraw/zinc/75/70/08/334757008.db2.gz ITVXIAPBWVZQLW-UHFFFAOYSA-N 1 2 286.339 1.798 20 30 CDEDLO CCc1ncc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)s1 ZINC000568889429 334845430 /nfs/dbraw/zinc/84/54/30/334845430.db2.gz UAGUUDOBQKZISI-LBPRGKRZSA-N 1 2 266.370 1.279 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)NC3(C#N)CCC3)ccn12 ZINC000572778424 334877366 /nfs/dbraw/zinc/87/73/66/334877366.db2.gz HZVGXHUUHLXJDT-UHFFFAOYSA-N 1 2 254.293 1.819 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc2cnccc2c1 ZINC000578446148 335635610 /nfs/dbraw/zinc/63/56/10/335635610.db2.gz HMAOKVUUPXTCFV-INIZCTEOSA-N 1 2 282.347 1.808 20 30 CDEDLO C=CCCC(=O)NCC1([NH2+]Cc2coc(C)n2)CC1 ZINC001754509214 1159251444 /nfs/dbraw/zinc/25/14/44/1159251444.db2.gz BQRPPHRGUNIVBH-UHFFFAOYSA-N 1 2 263.341 1.688 20 30 CDEDLO C=CCCC(=O)NC1(C)CC[NH+](Cc2nccn2C)CC1 ZINC001754623976 1159399062 /nfs/dbraw/zinc/39/90/62/1159399062.db2.gz QYDUSNXMRVRDKR-UHFFFAOYSA-N 1 2 290.411 1.857 20 30 CDEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000677048242 482460211 /nfs/dbraw/zinc/46/02/11/482460211.db2.gz RPDQOZFIKSPLJI-KBPBESRZSA-N 1 2 264.369 1.112 20 30 CDEDLO C=CCOCC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000676116531 483420551 /nfs/dbraw/zinc/42/05/51/483420551.db2.gz FMBBFTYFNNBJCX-CYBMUJFWSA-N 1 2 293.367 1.218 20 30 CDEDLO C=CCOCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000676116531 483420558 /nfs/dbraw/zinc/42/05/58/483420558.db2.gz FMBBFTYFNNBJCX-CYBMUJFWSA-N 1 2 293.367 1.218 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C[C@H](C)CCC)C1 ZINC001753659302 1185290904 /nfs/dbraw/zinc/29/09/04/1185290904.db2.gz SBIPAKYLCKGKCR-KGLIPLIRSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C[C@H](C)CCC)C1 ZINC001753659302 1185290910 /nfs/dbraw/zinc/29/09/10/1185290910.db2.gz SBIPAKYLCKGKCR-KGLIPLIRSA-N 1 2 268.401 1.816 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000184178041 518283376 /nfs/dbraw/zinc/28/33/76/518283376.db2.gz DTJBUYLLDPBZEV-UONOGXRCSA-N 1 2 292.379 1.721 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cnn(C)c1C1CC1 ZINC000330051588 534718475 /nfs/dbraw/zinc/71/84/75/534718475.db2.gz NSYGHNGBADIXDH-UHFFFAOYSA-N 1 2 259.313 1.834 20 30 CDEDLO O=C(NCc1ccn2cc[nH+]c2c1)NCC1(O)CCC1 ZINC000330010807 534757795 /nfs/dbraw/zinc/75/77/95/534757795.db2.gz HIPHAULPKWFPGU-UHFFFAOYSA-N 1 2 274.324 1.253 20 30 CDEDLO C=C(C)COCCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000354953498 526629351 /nfs/dbraw/zinc/62/93/51/526629351.db2.gz QXXVHTSLRZQJOK-UHFFFAOYSA-N 1 2 290.354 1.672 20 30 CDEDLO CC(C)CCN1C(=O)C[C@@H]([NH+]2CCC(C#N)CC2)C1=O ZINC000352272401 527721513 /nfs/dbraw/zinc/72/15/13/527721513.db2.gz WEZSDTVCACSAKB-CYBMUJFWSA-N 1 2 277.368 1.396 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000332381480 527927536 /nfs/dbraw/zinc/92/75/36/527927536.db2.gz OPMLRGGDDLXMBF-DOMZBBRYSA-N 1 2 289.383 1.601 20 30 CDEDLO CC(C)[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000330187151 528709496 /nfs/dbraw/zinc/70/94/96/528709496.db2.gz KEFFTKPFPNIRCU-OLZOCXBDSA-N 1 2 292.383 1.469 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000248800209 536644435 /nfs/dbraw/zinc/64/44/35/536644435.db2.gz FWSRVCWWJLOPME-RISCZKNCSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000248800209 536644442 /nfs/dbraw/zinc/64/44/42/536644442.db2.gz FWSRVCWWJLOPME-RISCZKNCSA-N 1 2 276.336 1.148 20 30 CDEDLO CCc1ncc(NC(=O)NC[C@H](C)[NH+]2CCOCC2)cn1 ZINC000328601852 538237918 /nfs/dbraw/zinc/23/79/18/538237918.db2.gz GFOIFPXABJUTAV-NSHDSACASA-N 1 2 293.371 1.086 20 30 CDEDLO CC(C)C[N@H+](CCC#N)CC(=O)NCc1ccccn1 ZINC000739913744 574508645 /nfs/dbraw/zinc/50/86/45/574508645.db2.gz ADIJELRAUUHBQZ-UHFFFAOYSA-N 1 2 274.368 1.569 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)CC(=O)NCc1ccccn1 ZINC000739913744 574508646 /nfs/dbraw/zinc/50/86/46/574508646.db2.gz ADIJELRAUUHBQZ-UHFFFAOYSA-N 1 2 274.368 1.569 20 30 CDEDLO COc1ccc(O)c(/C=N\CC[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000750950592 574624115 /nfs/dbraw/zinc/62/41/15/574624115.db2.gz XLHZYWAYDIMANA-KPENOIPVSA-N 1 2 278.352 1.540 20 30 CDEDLO COc1ccc(O)c(/C=N\CC[N@H+]2CCO[C@@H](C)C2)c1 ZINC000750950592 574624118 /nfs/dbraw/zinc/62/41/18/574624118.db2.gz XLHZYWAYDIMANA-KPENOIPVSA-N 1 2 278.352 1.540 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CC/N=C/c1cccc(O)c1O ZINC000729149812 574723388 /nfs/dbraw/zinc/72/33/88/574723388.db2.gz PHGVLNIXOVXWOX-BTAWCLGRSA-N 1 2 264.325 1.237 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CC/N=C/c1cccc(O)c1O ZINC000729149812 574723389 /nfs/dbraw/zinc/72/33/89/574723389.db2.gz PHGVLNIXOVXWOX-BTAWCLGRSA-N 1 2 264.325 1.237 20 30 CDEDLO C=CCN(C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)C(C)C ZINC000729623611 574818334 /nfs/dbraw/zinc/81/83/34/574818334.db2.gz MLWSMSXKNMCMBG-KGLIPLIRSA-N 1 2 283.416 1.702 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(OC)c1 ZINC000730094818 574848032 /nfs/dbraw/zinc/84/80/32/574848032.db2.gz QTFGMVOAQNAPOJ-AWEZNQCLSA-N 1 2 258.321 1.731 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(OC)c1 ZINC000730094818 574848033 /nfs/dbraw/zinc/84/80/33/574848033.db2.gz QTFGMVOAQNAPOJ-AWEZNQCLSA-N 1 2 258.321 1.731 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)NC)c1C ZINC000730097795 574849219 /nfs/dbraw/zinc/84/92/19/574849219.db2.gz LABIJBFLGZGGKI-HNNXBMFYSA-N 1 2 299.374 1.391 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)NC)c1C ZINC000730097795 574849222 /nfs/dbraw/zinc/84/92/22/574849222.db2.gz LABIJBFLGZGGKI-HNNXBMFYSA-N 1 2 299.374 1.391 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C(=O)Nc1ccccc1 ZINC000732556709 575091509 /nfs/dbraw/zinc/09/15/09/575091509.db2.gz XIVFCEQVRBWUQX-HIFRSBDPSA-N 1 2 299.374 1.227 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C(=O)Nc1ccccc1 ZINC000732556709 575091510 /nfs/dbraw/zinc/09/15/10/575091510.db2.gz XIVFCEQVRBWUQX-HIFRSBDPSA-N 1 2 299.374 1.227 20 30 CDEDLO CON=Cc1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000733955846 575148352 /nfs/dbraw/zinc/14/83/52/575148352.db2.gz PEGWFFSCTSFAAB-UHFFFAOYSA-N 1 2 258.281 1.320 20 30 CDEDLO C[C@@H](C#N)COC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000774214147 575189660 /nfs/dbraw/zinc/18/96/60/575189660.db2.gz FTBPEYVZZVQHCN-JTQLQIEISA-N 1 2 256.265 1.584 20 30 CDEDLO Cc1c[nH+]ccc1NC(=O)NCCNc1ncccc1C#N ZINC000767908797 576238146 /nfs/dbraw/zinc/23/81/46/576238146.db2.gz DRVAMAKWKCGPDZ-UHFFFAOYSA-N 1 2 296.334 1.312 20 30 CDEDLO CC(C)(C)OC(=O)N1CC([NH+]2CCN(CCC#N)CC2)C1 ZINC000769772440 575382500 /nfs/dbraw/zinc/38/25/00/575382500.db2.gz WVLXGBGIXWLUCT-UHFFFAOYSA-N 1 2 294.399 1.137 20 30 CDEDLO Cc1[nH]c[nH+]c1C=NNS(=O)(=O)c1ccc(F)cc1 ZINC000755776282 575506794 /nfs/dbraw/zinc/50/67/94/575506794.db2.gz ZVXUYFROLCYDIU-UHFFFAOYSA-N 1 2 282.300 1.170 20 30 CDEDLO O=c1[nH]ncc(NN=Cc2cccc3[nH+]ccn32)c1Cl ZINC000771099795 575548721 /nfs/dbraw/zinc/54/87/21/575548721.db2.gz ZUYYTZRERPXYIP-UHFFFAOYSA-N 1 2 288.698 1.929 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(OC(F)F)cn2)CC1 ZINC000771965570 575734105 /nfs/dbraw/zinc/73/41/05/575734105.db2.gz IFSVPOWORRNIML-UHFFFAOYSA-N 1 2 295.289 1.074 20 30 CDEDLO Cc1cc(C)n(N=Cc2ccc[nH+]c2N)c(=O)c1C#N ZINC000764669383 575932611 /nfs/dbraw/zinc/93/26/11/575932611.db2.gz NDYCIYWSEDYCAC-UHFFFAOYSA-N 1 2 267.292 1.196 20 30 CDEDLO C[N@H+](CC(=O)[C@H](C#N)c1ccncn1)[C@@H]1CCSC1 ZINC000774413689 575945114 /nfs/dbraw/zinc/94/51/14/575945114.db2.gz FCPFBGYUQOVQBY-GHMZBOCLSA-N 1 2 276.365 1.090 20 30 CDEDLO C[N@@H+](CC(=O)[C@H](C#N)c1ccncn1)[C@@H]1CCSC1 ZINC000774413689 575945118 /nfs/dbraw/zinc/94/51/18/575945118.db2.gz FCPFBGYUQOVQBY-GHMZBOCLSA-N 1 2 276.365 1.090 20 30 CDEDLO CCOCC[N@H+](CC)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766620090 576116749 /nfs/dbraw/zinc/11/67/49/576116749.db2.gz PJBUQOUIXUYEAS-UHFFFAOYSA-N 1 2 289.379 1.525 20 30 CDEDLO CCOCC[N@@H+](CC)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766620090 576116750 /nfs/dbraw/zinc/11/67/50/576116750.db2.gz PJBUQOUIXUYEAS-UHFFFAOYSA-N 1 2 289.379 1.525 20 30 CDEDLO C=CCCOCC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000768138074 576260031 /nfs/dbraw/zinc/26/00/31/576260031.db2.gz JLNXZHLCILOWNK-ZDUSSCGKSA-N 1 2 277.368 1.719 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)COc1cccc(C#N)c1 ZINC000768325532 576272073 /nfs/dbraw/zinc/27/20/73/576272073.db2.gz ZHTCXUJWJYLUJE-UHFFFAOYSA-N 1 2 298.346 1.682 20 30 CDEDLO C#CCCO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000760350444 576479202 /nfs/dbraw/zinc/47/92/02/576479202.db2.gz KYMIHXASYLILHQ-UHFFFAOYSA-N 1 2 272.352 1.942 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C)c(CC)o2)CC1 ZINC000760479396 576487211 /nfs/dbraw/zinc/48/72/11/576487211.db2.gz ALZYUBAIIPKURX-UHFFFAOYSA-N 1 2 274.364 1.932 20 30 CDEDLO C[C@@H](C#N)OC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741354265 576553875 /nfs/dbraw/zinc/55/38/75/576553875.db2.gz NLJIIJGWHNOSNZ-ZFWWWQNUSA-N 1 2 288.347 1.733 20 30 CDEDLO C[C@@H](C#N)OC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741354265 576553877 /nfs/dbraw/zinc/55/38/77/576553877.db2.gz NLJIIJGWHNOSNZ-ZFWWWQNUSA-N 1 2 288.347 1.733 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(SC)CCOCC1 ZINC000742108701 576582126 /nfs/dbraw/zinc/58/21/26/576582126.db2.gz 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C#CCC[NH+]1CC(N(CC)C(=O)c2ccc3n[nH]cc3c2)C1 ZINC000951556822 612991963 /nfs/dbraw/zinc/99/19/63/612991963.db2.gz GNCNMZOAEGTWGF-UHFFFAOYSA-N 1 2 296.374 1.733 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccsc2)C1 ZINC000949640371 612992615 /nfs/dbraw/zinc/99/26/15/612992615.db2.gz SIXXFUUKYFAGQM-UHFFFAOYSA-N 1 2 262.378 1.918 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2oc(C)nc2C)C1 ZINC000949836031 612993258 /nfs/dbraw/zinc/99/32/58/612993258.db2.gz ONJBXISBNNUTPC-UHFFFAOYSA-N 1 2 275.352 1.461 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)[C@@H](CC)SC)CC1 ZINC000980979698 613153148 /nfs/dbraw/zinc/15/31/48/613153148.db2.gz PRKWRDOHPUFPHI-GFCCVEGCSA-N 1 2 254.399 1.296 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)[C@@H](CC)SC)CC1 ZINC000980979698 613153149 /nfs/dbraw/zinc/15/31/49/613153149.db2.gz PRKWRDOHPUFPHI-GFCCVEGCSA-N 1 2 254.399 1.296 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2c(C)noc2C(F)F)CC1 ZINC000981421124 613156323 /nfs/dbraw/zinc/15/63/23/613156323.db2.gz GJKOOUVSAXGVNL-UHFFFAOYSA-N 1 2 297.305 1.702 20 30 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/nfs/dbraw/zinc/37/38/77/613373877.db2.gz ZJCCJZLFQSSPAO-LBPRGKRZSA-N 1 2 272.776 1.310 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CCOC2)CC1 ZINC000980803685 613373878 /nfs/dbraw/zinc/37/38/78/613373878.db2.gz ZJCCJZLFQSSPAO-LBPRGKRZSA-N 1 2 272.776 1.310 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn(C)n2)C1 ZINC000968643562 613377624 /nfs/dbraw/zinc/37/76/24/613377624.db2.gz NRMLBCSGCYGYJI-GWCFXTLKSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn(C)n2)C1 ZINC000968643562 613377625 /nfs/dbraw/zinc/37/76/25/613377625.db2.gz NRMLBCSGCYGYJI-GWCFXTLKSA-N 1 2 296.802 1.613 20 30 CDEDLO C=CCCCN(CC)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000890813882 617338689 /nfs/dbraw/zinc/33/86/89/617338689.db2.gz OYKARKGTKIDANY-AWEZNQCLSA-N 1 2 267.417 1.437 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[NH+](CCc2cnn(C)c2)CC1 ZINC000949656294 613433309 /nfs/dbraw/zinc/43/33/09/613433309.db2.gz USMYUQGOFQGAIS-UHFFFAOYSA-N 1 2 290.411 1.319 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000981887830 613501946 /nfs/dbraw/zinc/50/19/46/613501946.db2.gz QFOODWYCGHJGBH-MRXNPFEDSA-N 1 2 295.427 1.211 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000981887830 613501947 /nfs/dbraw/zinc/50/19/47/613501947.db2.gz QFOODWYCGHJGBH-MRXNPFEDSA-N 1 2 295.427 1.211 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2conc2C2CC2)CC1 ZINC000981937462 613556390 /nfs/dbraw/zinc/55/63/90/613556390.db2.gz YHOJQNUCNJAFGL-UHFFFAOYSA-N 1 2 287.363 1.723 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2conc2C2CC2)CC1 ZINC000981937462 613556392 /nfs/dbraw/zinc/55/63/92/613556392.db2.gz YHOJQNUCNJAFGL-UHFFFAOYSA-N 1 2 287.363 1.723 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)CC1 ZINC000949367027 613563124 /nfs/dbraw/zinc/56/31/24/613563124.db2.gz FCFAVMWVMWXELG-GJZGRUSLSA-N 1 2 260.381 1.590 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC34CC4)C2)C1 ZINC000972570232 613570005 /nfs/dbraw/zinc/57/00/05/613570005.db2.gz 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C=CC[NH+]1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 ZINC000949175580 613713572 /nfs/dbraw/zinc/71/35/72/613713572.db2.gz DBDOSMNNPCZHFF-OAHLLOKOSA-N 1 2 272.348 1.320 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(NC(N)=O)cc2)CC1 ZINC000957550790 613716488 /nfs/dbraw/zinc/71/64/88/613716488.db2.gz YEVXYFYLPYYTBI-UHFFFAOYSA-N 1 2 288.351 1.121 20 30 CDEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2cncc3nc[nH]c32)C[C@H]1C ZINC000947328379 613795889 /nfs/dbraw/zinc/79/58/89/613795889.db2.gz QPVYLCCHVRMPGV-NEPJUHHUSA-N 1 2 299.378 1.727 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2cncc3nc[nH]c32)C[C@H]1C ZINC000947328379 613795893 /nfs/dbraw/zinc/79/58/93/613795893.db2.gz QPVYLCCHVRMPGV-NEPJUHHUSA-N 1 2 299.378 1.727 20 30 CDEDLO CC[N@H+](CCC#N)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891577316 617486521 /nfs/dbraw/zinc/48/65/21/617486521.db2.gz BOCWSEWIZVDKGQ-NWDGAFQWSA-N 1 2 256.321 1.856 20 30 CDEDLO CC[N@@H+](CCC#N)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891577316 617486523 /nfs/dbraw/zinc/48/65/23/617486523.db2.gz BOCWSEWIZVDKGQ-NWDGAFQWSA-N 1 2 256.321 1.856 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(OCC(N)=O)cc2)C1 ZINC000932159342 617963299 /nfs/dbraw/zinc/96/32/99/617963299.db2.gz YNICEQOPSZBZAY-ZDUSSCGKSA-N 1 2 273.336 1.286 20 30 CDEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(OCC(N)=O)cc2)C1 ZINC000932159342 617963304 /nfs/dbraw/zinc/96/33/04/617963304.db2.gz YNICEQOPSZBZAY-ZDUSSCGKSA-N 1 2 273.336 1.286 20 30 CDEDLO COC(=O)[C@@H]1[C@@H](C[N@H+](C[C@@H](C)C#N)C2CC2)C1(F)F ZINC000894084706 618347593 /nfs/dbraw/zinc/34/75/93/618347593.db2.gz NFARSCZXQAREQQ-GDPRMGEGSA-N 1 2 272.295 1.665 20 30 CDEDLO COC(=O)[C@@H]1[C@@H](C[N@@H+](C[C@@H](C)C#N)C2CC2)C1(F)F ZINC000894084706 618347607 /nfs/dbraw/zinc/34/76/07/618347607.db2.gz NFARSCZXQAREQQ-GDPRMGEGSA-N 1 2 272.295 1.665 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000897931505 621209196 /nfs/dbraw/zinc/20/91/96/621209196.db2.gz SPLPKLIEIJAVJL-FZMZJTMJSA-N 1 2 292.383 1.233 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897931505 621209200 /nfs/dbraw/zinc/20/92/00/621209200.db2.gz SPLPKLIEIJAVJL-FZMZJTMJSA-N 1 2 292.383 1.233 20 30 CDEDLO Cn1cncc1/C=C1/CN(C)C/C(=C/c2c[nH+]cn2C)C1=O ZINC000901418143 624229129 /nfs/dbraw/zinc/22/91/29/624229129.db2.gz YOGLXIKJWMTNQR-FQCPIAEUSA-N 1 2 297.362 1.135 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCCOC2CC2)cc1 ZINC000902212395 624540319 /nfs/dbraw/zinc/54/03/19/624540319.db2.gz DFUNKFHNYCEBLT-UHFFFAOYSA-N 1 2 250.298 1.511 20 30 CDEDLO C[C@H]1/C(=C\c2ncc(C[NH+](C)C)s2)C(=O)c2ncnn21 ZINC000905087253 626603312 /nfs/dbraw/zinc/60/33/12/626603312.db2.gz WTLNEFFSUWLVHZ-JVVDXDAESA-N 1 2 289.364 1.637 20 30 CDEDLO COc1ncc(NC(=O)CCCn2cc[nH+]c2)cc1C#N ZINC000906146303 627135519 /nfs/dbraw/zinc/13/55/19/627135519.db2.gz DXZRGDCRMNFNQH-UHFFFAOYSA-N 1 2 285.307 1.577 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NN1[C@H](C)CCC[C@@H]1C ZINC000907986881 627954985 /nfs/dbraw/zinc/95/49/85/627954985.db2.gz RTDJISDNTPMSMM-MJBXVCDLSA-N 1 2 263.385 1.378 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NN1[C@H](C)CCC[C@@H]1C ZINC000907986881 627954989 /nfs/dbraw/zinc/95/49/89/627954989.db2.gz RTDJISDNTPMSMM-MJBXVCDLSA-N 1 2 263.385 1.378 20 30 CDEDLO Cn1cc([C@@H]2CN(C(=O)CCCCCC#N)CC[NH2+]2)cn1 ZINC000913460428 630490117 /nfs/dbraw/zinc/49/01/17/630490117.db2.gz JJDZNURNQAOASC-AWEZNQCLSA-N 1 2 289.383 1.367 20 30 CDEDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)CC(C)(C)C#N ZINC000914263928 631293767 /nfs/dbraw/zinc/29/37/67/631293767.db2.gz YVXRAAPCMDXSST-UHFFFAOYSA-N 1 2 284.385 1.085 20 30 CDEDLO CCOC(=O)[C@H](C#N)Nc1cc(N)c(C(F)(F)F)c[nH+]1 ZINC001170366764 1162342857 /nfs/dbraw/zinc/34/28/57/1162342857.db2.gz SYXGTUUIGIFMMG-QMMMGPOBSA-N 1 2 288.229 1.550 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccn(CC)n3)C[C@H]21 ZINC001114025517 1162407663 /nfs/dbraw/zinc/40/76/63/1162407663.db2.gz LQINLGYKVQCHTE-FOLVSLTJSA-N 1 2 288.395 1.416 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccn(CC)n3)C[C@H]21 ZINC001114025517 1162407665 /nfs/dbraw/zinc/40/76/65/1162407665.db2.gz LQINLGYKVQCHTE-FOLVSLTJSA-N 1 2 288.395 1.416 20 30 CDEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@@H](C)[C@H](C)CC)C1 ZINC001755337768 1159836964 /nfs/dbraw/zinc/83/69/64/1159836964.db2.gz SWEGPOOMRXVETR-KGLIPLIRSA-N 1 2 280.412 1.245 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(CC)nn2)[C@H]1C ZINC001088947399 1161043175 /nfs/dbraw/zinc/04/31/75/1161043175.db2.gz YMYLXNRHPKCAQG-MNOVXSKESA-N 1 2 297.790 1.243 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(CC)nn2)[C@H]1C ZINC001088947399 1161043178 /nfs/dbraw/zinc/04/31/78/1161043178.db2.gz YMYLXNRHPKCAQG-MNOVXSKESA-N 1 2 297.790 1.243 20 30 CDEDLO C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)Nc1ccc(C#N)cn1 ZINC001113081437 1162094680 /nfs/dbraw/zinc/09/46/80/1162094680.db2.gz CXENTVKHWCUJTG-RYUDHWBXSA-N 1 2 298.350 1.155 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCOCc2ccccc2)CC1 ZINC001113648308 1162247298 /nfs/dbraw/zinc/24/72/98/1162247298.db2.gz CFAQZDXBVQAIKU-UHFFFAOYSA-N 1 2 288.391 1.924 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+]Cc1nncs1 ZINC001133142814 1163580947 /nfs/dbraw/zinc/58/09/47/1163580947.db2.gz JOCYDNOQUSWVPW-UHFFFAOYSA-N 1 2 254.359 1.100 20 30 CDEDLO CC(C)(C#N)CC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC001628193711 1166050358 /nfs/dbraw/zinc/05/03/58/1166050358.db2.gz IVYAFZHELUUAJE-UHFFFAOYSA-N 1 2 259.309 1.611 20 30 CDEDLO N#Cc1ccc(NCC(=O)Nc2ccn3cc[nH+]c3c2)nc1 ZINC001635843933 1166627955 /nfs/dbraw/zinc/62/79/55/1166627955.db2.gz GFIATHNZCHEHHQ-UHFFFAOYSA-N 1 2 292.302 1.652 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1csc(C#N)c1 ZINC001647303985 1168540358 /nfs/dbraw/zinc/54/03/58/1168540358.db2.gz KGOYBIKJSWOBIP-MNOVXSKESA-N 1 2 293.392 1.459 20 30 CDEDLO C=CC1(CC(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)C[NH2+]C1 ZINC001574882033 1171035991 /nfs/dbraw/zinc/03/59/91/1171035991.db2.gz YQHYWAPPBPZZKM-UHFFFAOYSA-N 1 2 299.334 1.282 20 30 CDEDLO CCCC[C@@H]([NH3+])C(=O)Nc1nc(-c2cccc(C#N)c2)n[nH]1 ZINC001577415084 1171666832 /nfs/dbraw/zinc/66/68/32/1171666832.db2.gz MIQBDEXBQRXPBF-GFCCVEGCSA-N 1 2 298.350 1.799 20 30 CDEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)CCCC1 ZINC001731378066 1182347748 /nfs/dbraw/zinc/34/77/48/1182347748.db2.gz GBILIXKGXWTIMU-CHWSQXEVSA-N 1 2 293.411 1.187 20 30 CDEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(N)=O)C2)CCCC1 ZINC001731378066 1182347752 /nfs/dbraw/zinc/34/77/52/1182347752.db2.gz GBILIXKGXWTIMU-CHWSQXEVSA-N 1 2 293.411 1.187 20 30 CDEDLO N#CCN1CC[NH+](CCNC(=O)CCC2CCCC2)CC1 ZINC001752361644 1184853210 /nfs/dbraw/zinc/85/32/10/1184853210.db2.gz ZLFBFCJRWVJMBN-UHFFFAOYSA-N 1 2 292.427 1.214 20 30 CDEDLO C#CC[NH+]1CCN(CCN(C)C(=O)CCC2CCC2)CC1 ZINC001753343714 1185162764 /nfs/dbraw/zinc/16/27/64/1185162764.db2.gz DPTGRECIUFRMLA-UHFFFAOYSA-N 1 2 291.439 1.276 20 30 CDEDLO C#CCCCC(=O)NC1C[NH+](Cc2ccc(CO)cc2)C1 ZINC001753375776 1185176041 /nfs/dbraw/zinc/17/60/41/1185176041.db2.gz UTCLVBYGFWMVPF-UHFFFAOYSA-N 1 2 286.375 1.283 20 30 CDEDLO C=C(C)CCC(=O)NC1C[NH+](CCOCC2CCC2)C1 ZINC001753379748 1185178493 /nfs/dbraw/zinc/17/84/93/1185178493.db2.gz XRROJMSGIABGER-UHFFFAOYSA-N 1 2 280.412 1.960 20 30 CDEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)C#CC1CC1 ZINC001753852463 1185362417 /nfs/dbraw/zinc/36/24/17/1185362417.db2.gz OPWNCWPRINQJAJ-UHFFFAOYSA-N 1 2 295.386 1.862 20 30 CDEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)C#CC1CC1 ZINC001753852463 1185362425 /nfs/dbraw/zinc/36/24/25/1185362425.db2.gz OPWNCWPRINQJAJ-UHFFFAOYSA-N 1 2 295.386 1.862 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H](C)C[NH2+]Cc1nnc(C2CC2)o1 ZINC001754278904 1185548089 /nfs/dbraw/zinc/54/80/89/1185548089.db2.gz PVGRSGGMBSXDNK-JTQLQIEISA-N 1 2 292.383 1.754 20 30 CDEDLO COc1cc(C[N@H+](C)C[C@@H](C)NC(=O)C#CC2CC2)on1 ZINC001754309500 1185567302 /nfs/dbraw/zinc/56/73/02/1185567302.db2.gz ARIOZWMMUJQTIQ-LLVKDONJSA-N 1 2 291.351 1.033 20 30 CDEDLO COc1cc(C[N@@H+](C)C[C@@H](C)NC(=O)C#CC2CC2)on1 ZINC001754309500 1185567306 /nfs/dbraw/zinc/56/73/06/1185567306.db2.gz ARIOZWMMUJQTIQ-LLVKDONJSA-N 1 2 291.351 1.033 20 30 CDEDLO C=C(C)CCC(=O)NC[C@H]1CC[N@H+]1Cc1cnn(C)c1 ZINC001754485212 1185639141 /nfs/dbraw/zinc/63/91/41/1185639141.db2.gz QQJDSWJEPVKLQG-CQSZACIVSA-N 1 2 276.384 1.467 20 30 CDEDLO C=C(C)CCC(=O)NC[C@H]1CC[N@@H+]1Cc1cnn(C)c1 ZINC001754485212 1185639146 /nfs/dbraw/zinc/63/91/46/1185639146.db2.gz QQJDSWJEPVKLQG-CQSZACIVSA-N 1 2 276.384 1.467 20 30 CDEDLO C#CCN(C(=O)C(=O)C(C)(C)C)C1CC[NH+](CCF)CC1 ZINC001754634918 1185690533 /nfs/dbraw/zinc/69/05/33/1185690533.db2.gz BJSCZTMDSNEAAV-UHFFFAOYSA-N 1 2 296.386 1.497 20 30 CDEDLO C=CCCOCC(=O)NC[C@@H]1CCC2(C[NH+](CC=C)C2)O1 ZINC001755056439 1185801581 /nfs/dbraw/zinc/80/15/81/1185801581.db2.gz CCCZKHNYWAYORE-AWEZNQCLSA-N 1 2 294.395 1.115 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)COC)CO2 ZINC001755063966 1185803857 /nfs/dbraw/zinc/80/38/57/1185803857.db2.gz SKLQMFDCSMEQBS-CYBMUJFWSA-N 1 2 296.411 1.195 20 30 CDEDLO C#CCCCC(=O)N[C@@H](C)C1C[NH+](Cc2ccns2)C1 ZINC001755373893 1185933286 /nfs/dbraw/zinc/93/32/86/1185933286.db2.gz MVYNDZQZKPYVHH-LBPRGKRZSA-N 1 2 291.420 1.883 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CCC(=C)C)C2)C1 ZINC001755401812 1185940568 /nfs/dbraw/zinc/94/05/68/1185940568.db2.gz KWDWPYUVLYKXHM-MRXNPFEDSA-N 1 2 278.396 1.832 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCC(=C)C)C2)C1 ZINC001755401812 1185940564 /nfs/dbraw/zinc/94/05/64/1185940564.db2.gz KWDWPYUVLYKXHM-MRXNPFEDSA-N 1 2 278.396 1.832 20 30 CDEDLO C=CC[N@H+]1CC=C(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001755888148 1186101558 /nfs/dbraw/zinc/10/15/58/1186101558.db2.gz OLZAHTCKPLKMIV-JTQLQIEISA-N 1 2 280.265 1.821 20 30 CDEDLO C=CC[N@@H+]1CC=C(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001755888148 1186101563 /nfs/dbraw/zinc/10/15/63/1186101563.db2.gz OLZAHTCKPLKMIV-JTQLQIEISA-N 1 2 280.265 1.821 20 30 CDEDLO C=CC[N@H+]1CC=C(CNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001755888148 1186101566 /nfs/dbraw/zinc/10/15/66/1186101566.db2.gz OLZAHTCKPLKMIV-JTQLQIEISA-N 1 2 280.265 1.821 20 30 CDEDLO C=CC[N@@H+]1CC=C(CNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001755888148 1186101571 /nfs/dbraw/zinc/10/15/71/1186101571.db2.gz OLZAHTCKPLKMIV-JTQLQIEISA-N 1 2 280.265 1.821 20 30 CDEDLO C=CC[NH+]1CCN(c2ncc(F)cc2C(=O)OC)CC1 ZINC001165033166 721863916 /nfs/dbraw/zinc/86/39/16/721863916.db2.gz FTIZMTRZTQQQAR-UHFFFAOYSA-N 1 2 279.315 1.315 20 30 CDEDLO C=C1CCC(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000887693505 743374262 /nfs/dbraw/zinc/37/42/62/743374262.db2.gz QWGNOCAQRIGLAK-UHFFFAOYSA-N 1 2 280.412 1.960 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCO3)[C@@H]2C1 ZINC001075525486 745007590 /nfs/dbraw/zinc/00/75/90/745007590.db2.gz HZCIUJXQUSFLNK-XQQFMLRXSA-N 1 2 284.787 1.451 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCO3)[C@@H]2C1 ZINC001075525486 745007599 /nfs/dbraw/zinc/00/75/99/745007599.db2.gz HZCIUJXQUSFLNK-XQQFMLRXSA-N 1 2 284.787 1.451 20 30 CDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ncccn2)CC1 ZINC001004585388 742838463 /nfs/dbraw/zinc/83/84/63/742838463.db2.gz FGTRRAKDOTUHPF-AWEZNQCLSA-N 1 2 299.378 1.317 20 30 CDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ncccn2)CC1 ZINC001004585388 742838466 /nfs/dbraw/zinc/83/84/66/742838466.db2.gz FGTRRAKDOTUHPF-AWEZNQCLSA-N 1 2 299.378 1.317 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccncc2C)C1 ZINC001042700297 742847608 /nfs/dbraw/zinc/84/76/08/742847608.db2.gz RGYKSMLJJCOPHH-UHFFFAOYSA-N 1 2 257.337 1.170 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001030337254 742881241 /nfs/dbraw/zinc/88/12/41/742881241.db2.gz NKJMYCWUQGOMIM-UHFFFAOYSA-N 1 2 276.384 1.697 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc[nH]c2)C1 ZINC001033102667 742886345 /nfs/dbraw/zinc/88/63/45/742886345.db2.gz HXCVNNDBPRYGGC-GFCCVEGCSA-N 1 2 267.760 1.914 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc[nH]c2)C1 ZINC001033102667 742886347 /nfs/dbraw/zinc/88/63/47/742886347.db2.gz HXCVNNDBPRYGGC-GFCCVEGCSA-N 1 2 267.760 1.914 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3cc(C)ccc3n2)C1 ZINC001030651782 743010498 /nfs/dbraw/zinc/01/04/98/743010498.db2.gz MFRXOEZWNPLGDK-UHFFFAOYSA-N 1 2 293.370 1.981 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)cc1F ZINC001038743816 743039098 /nfs/dbraw/zinc/03/90/98/743039098.db2.gz RRUIWWHGQMDMIY-GFCCVEGCSA-N 1 2 260.312 1.571 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)cc1F ZINC001038743816 743039108 /nfs/dbraw/zinc/03/91/08/743039108.db2.gz RRUIWWHGQMDMIY-GFCCVEGCSA-N 1 2 260.312 1.571 20 30 CDEDLO C#Cc1ccccc1CC(=O)NCCc1[nH]cc[nH+]1 ZINC000810377786 743061196 /nfs/dbraw/zinc/06/11/96/743061196.db2.gz DWZMJFJTCWUNDG-UHFFFAOYSA-N 1 2 253.305 1.292 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ncn2ccc(C)cc12 ZINC001038425315 743069706 /nfs/dbraw/zinc/06/97/06/743069706.db2.gz HYXIOPULQNKOOF-ZDUSSCGKSA-N 1 2 282.347 1.080 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncn2ccc(C)cc12 ZINC001038425315 743069716 /nfs/dbraw/zinc/06/97/16/743069716.db2.gz HYXIOPULQNKOOF-ZDUSSCGKSA-N 1 2 282.347 1.080 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C(F)F)n1 ZINC001032424038 743069785 /nfs/dbraw/zinc/06/97/85/743069785.db2.gz MHGXSPSHNAIQNG-QWRGUYRKSA-N 1 2 294.305 1.200 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C(F)F)n1 ZINC001032424038 743069795 /nfs/dbraw/zinc/06/97/95/743069795.db2.gz MHGXSPSHNAIQNG-QWRGUYRKSA-N 1 2 294.305 1.200 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]nc1C ZINC001051053801 743113457 /nfs/dbraw/zinc/11/34/57/743113457.db2.gz VTQPSLGPAUWJMZ-ZDUSSCGKSA-N 1 2 292.383 1.115 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]nc1C ZINC001051053801 743113483 /nfs/dbraw/zinc/11/34/83/743113483.db2.gz VTQPSLGPAUWJMZ-ZDUSSCGKSA-N 1 2 292.383 1.115 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cnn(C)c1 ZINC001024322388 743223955 /nfs/dbraw/zinc/22/39/55/743223955.db2.gz SPUMAQZNPCZYEW-CYBMUJFWSA-N 1 2 296.802 1.757 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn(C)c1 ZINC001024322388 743223982 /nfs/dbraw/zinc/22/39/82/743223982.db2.gz SPUMAQZNPCZYEW-CYBMUJFWSA-N 1 2 296.802 1.757 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCCO1 ZINC001017373438 743263148 /nfs/dbraw/zinc/26/31/48/743263148.db2.gz SPSFNVQZAVNAGU-ZNMIVQPWSA-N 1 2 276.380 1.254 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCCO1 ZINC001017373438 743263153 /nfs/dbraw/zinc/26/31/53/743263153.db2.gz SPSFNVQZAVNAGU-ZNMIVQPWSA-N 1 2 276.380 1.254 20 30 CDEDLO Cn1c(N)nc(Cl)c1C=[NH+]Nc1ccc(C#N)cc1 ZINC000814803724 743285768 /nfs/dbraw/zinc/28/57/68/743285768.db2.gz XJYSZIKPVOEVHL-UHFFFAOYSA-N 1 2 274.715 1.973 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](CC)CC[C@H]1C ZINC000884410747 743298084 /nfs/dbraw/zinc/29/80/84/743298084.db2.gz SACJOIYITMBRQS-UPJWGTAASA-N 1 2 282.384 1.470 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879585444 743301562 /nfs/dbraw/zinc/30/15/62/743301562.db2.gz YLJIWUYVHNHGAI-AWEZNQCLSA-N 1 2 298.390 1.371 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1CCC ZINC001050924092 743321669 /nfs/dbraw/zinc/32/16/69/743321669.db2.gz CAUASJGLHDFOOM-KFWWJZLASA-N 1 2 296.411 1.195 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CCC ZINC001050924092 743321673 /nfs/dbraw/zinc/32/16/73/743321673.db2.gz CAUASJGLHDFOOM-KFWWJZLASA-N 1 2 296.411 1.195 20 30 CDEDLO N#Cc1ccc(C[NH2+][C@@H]2CCCn3ccnc32)nc1 ZINC000848547018 743327736 /nfs/dbraw/zinc/32/77/36/743327736.db2.gz HXDTWFLPUKJJKF-CYBMUJFWSA-N 1 2 253.309 1.774 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(OCC)n1 ZINC001032499633 743356869 /nfs/dbraw/zinc/35/68/69/743356869.db2.gz ZWIAGWXKDXJLHQ-QWRGUYRKSA-N 1 2 277.324 1.158 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(OCC)n1 ZINC001032499633 743356879 /nfs/dbraw/zinc/35/68/79/743356879.db2.gz ZWIAGWXKDXJLHQ-QWRGUYRKSA-N 1 2 277.324 1.158 20 30 CDEDLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C#N)C2CCCCC2)C1 ZINC000805468545 743362240 /nfs/dbraw/zinc/36/22/40/743362240.db2.gz HDTQDIAZBDFVJF-KGLIPLIRSA-N 1 2 280.368 1.723 20 30 CDEDLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C#N)C2CCCCC2)C1 ZINC000805468545 743362252 /nfs/dbraw/zinc/36/22/52/743362252.db2.gz HDTQDIAZBDFVJF-KGLIPLIRSA-N 1 2 280.368 1.723 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001032637540 743367470 /nfs/dbraw/zinc/36/74/70/743367470.db2.gz ORRHCYIVVHCPLF-CBBWQLFWSA-N 1 2 260.381 1.587 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001032637540 743367465 /nfs/dbraw/zinc/36/74/65/743367465.db2.gz ORRHCYIVVHCPLF-CBBWQLFWSA-N 1 2 260.381 1.587 20 30 CDEDLO C=CCCO[C@H](C)C(=O)OCCc1c[nH+]cn1C ZINC000793251101 743445868 /nfs/dbraw/zinc/44/58/68/743445868.db2.gz ODOVVPQUBPOBBD-LLVKDONJSA-N 1 2 252.314 1.487 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001034478496 743624676 /nfs/dbraw/zinc/62/46/76/743624676.db2.gz APGOGKMRMBDHNI-NSHDSACASA-N 1 2 297.790 1.070 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001034478496 743624677 /nfs/dbraw/zinc/62/46/77/743624677.db2.gz APGOGKMRMBDHNI-NSHDSACASA-N 1 2 297.790 1.070 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@H]2C(F)F)C1 ZINC001042916900 745011290 /nfs/dbraw/zinc/01/12/90/745011290.db2.gz XPPJZMSJIBAXLO-VXGBXAGGSA-N 1 2 272.339 1.996 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001007027411 745016391 /nfs/dbraw/zinc/01/63/91/745016391.db2.gz NNCVPFRETDXLGJ-NSHDSACASA-N 1 2 295.770 1.734 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001007027411 745016399 /nfs/dbraw/zinc/01/63/99/745016399.db2.gz NNCVPFRETDXLGJ-NSHDSACASA-N 1 2 295.770 1.734 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCC(C)(C)C#N)C1 ZINC000358623797 745037054 /nfs/dbraw/zinc/03/70/54/745037054.db2.gz DDDZVDNJQHMAEC-GFCCVEGCSA-N 1 2 289.383 1.859 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2csc(C3CC3)n2)C1 ZINC001044012169 745051276 /nfs/dbraw/zinc/05/12/76/745051276.db2.gz JCRXMJXCSDFLHN-UHFFFAOYSA-N 1 2 291.420 1.892 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cncnc1C(C)C ZINC001039035159 745187304 /nfs/dbraw/zinc/18/73/04/745187304.db2.gz YYFNYRAIIFMAHP-ZDUSSCGKSA-N 1 2 286.379 1.427 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cncnc1C(C)C ZINC001039035159 745187318 /nfs/dbraw/zinc/18/73/18/745187318.db2.gz YYFNYRAIIFMAHP-ZDUSSCGKSA-N 1 2 286.379 1.427 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2C[C@@H](C)Cc3c[nH]nc32)C1 ZINC001030836429 745235333 /nfs/dbraw/zinc/23/53/33/745235333.db2.gz OTSDIPLJEULDKI-FZMZJTMJSA-N 1 2 288.395 1.452 20 30 CDEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccco3)C[C@H]21 ZINC001074115032 745238276 /nfs/dbraw/zinc/23/82/76/745238276.db2.gz LOWOYQCRHUVDSR-ZIAGYGMSSA-N 1 2 290.363 1.771 20 30 CDEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccco3)C[C@H]21 ZINC001074115032 745238289 /nfs/dbraw/zinc/23/82/89/745238289.db2.gz LOWOYQCRHUVDSR-ZIAGYGMSSA-N 1 2 290.363 1.771 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2cnccc2c1 ZINC001038523262 745253238 /nfs/dbraw/zinc/25/32/38/745253238.db2.gz LHHLKJARTURULM-AWEZNQCLSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2cnccc2c1 ZINC001038523262 745253246 /nfs/dbraw/zinc/25/32/46/745253246.db2.gz LHHLKJARTURULM-AWEZNQCLSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001038259102 745280419 /nfs/dbraw/zinc/28/04/19/745280419.db2.gz IDGKEQKTFHDSLR-MGPQQGTHSA-N 1 2 288.416 1.984 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001038259102 745280425 /nfs/dbraw/zinc/28/04/25/745280425.db2.gz IDGKEQKTFHDSLR-MGPQQGTHSA-N 1 2 288.416 1.984 20 30 CDEDLO COc1ccc(CC(N)=[NH+]OC[C@@H](C)OC)cc1OC ZINC000181609184 745307187 /nfs/dbraw/zinc/30/71/87/745307187.db2.gz PAIGLDMZGXRZPM-SNVBAGLBSA-N 1 2 282.340 1.570 20 30 CDEDLO N#CCCNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000488302260 745316220 /nfs/dbraw/zinc/31/62/20/745316220.db2.gz VAVZEZGPEWOZSC-UHFFFAOYSA-N 1 2 299.334 1.997 20 30 CDEDLO COC[C@@]1(C)CC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000853524216 745329426 /nfs/dbraw/zinc/32/94/26/745329426.db2.gz LJFLKQVUIONLHD-ZFWWWQNUSA-N 1 2 279.384 1.455 20 30 CDEDLO COC[C@@]1(C)CC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000853524216 745329431 /nfs/dbraw/zinc/32/94/31/745329431.db2.gz LJFLKQVUIONLHD-ZFWWWQNUSA-N 1 2 279.384 1.455 20 30 CDEDLO N#Cc1cccn(C[NH+]2CCC([C@H]3CCCO3)CC2)c1=O ZINC000783968765 745334631 /nfs/dbraw/zinc/33/46/31/745334631.db2.gz QGRNTPUDZQEJKV-OAHLLOKOSA-N 1 2 287.363 1.568 20 30 CDEDLO C=C(C)C[NH+]1CC(CNC(=O)c2n[nH]c3ccccc32)C1 ZINC001032166439 745351821 /nfs/dbraw/zinc/35/18/21/745351821.db2.gz XRIOIBGDPWMQJK-UHFFFAOYSA-N 1 2 284.363 1.801 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@]1(C)C=CCC1)CO2 ZINC001053895339 745355257 /nfs/dbraw/zinc/35/52/57/745355257.db2.gz DSLMBQQJSHEXSH-ZBFHGGJFSA-N 1 2 290.407 1.878 20 30 CDEDLO CC[N@H+](CC(=O)NC)Cc1cc(C#N)ccc1OC ZINC000130427428 745361784 /nfs/dbraw/zinc/36/17/84/745361784.db2.gz BMCUTADTXVAKQS-UHFFFAOYSA-N 1 2 261.325 1.135 20 30 CDEDLO CC[N@@H+](CC(=O)NC)Cc1cc(C#N)ccc1OC ZINC000130427428 745361789 /nfs/dbraw/zinc/36/17/89/745361789.db2.gz BMCUTADTXVAKQS-UHFFFAOYSA-N 1 2 261.325 1.135 20 30 CDEDLO C=CCCCC(=O)O[C@@H](COC)C[N@@H+]1CCO[C@@H](C)C1 ZINC000842972598 745391794 /nfs/dbraw/zinc/39/17/94/745391794.db2.gz ZKGZBOMOCWQITL-UONOGXRCSA-N 1 2 285.384 1.622 20 30 CDEDLO C=CCCCC(=O)O[C@@H](COC)C[N@H+]1CCO[C@@H](C)C1 ZINC000842972598 745391799 /nfs/dbraw/zinc/39/17/99/745391799.db2.gz ZKGZBOMOCWQITL-UONOGXRCSA-N 1 2 285.384 1.622 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1OC ZINC001017879054 745400252 /nfs/dbraw/zinc/40/02/52/745400252.db2.gz RGPKIONBHUPQCX-BETUJISGSA-N 1 2 287.363 1.565 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1OC ZINC001017879054 745400253 /nfs/dbraw/zinc/40/02/53/745400253.db2.gz RGPKIONBHUPQCX-BETUJISGSA-N 1 2 287.363 1.565 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3nccs3)C[C@H]21 ZINC001075620984 745412429 /nfs/dbraw/zinc/41/24/29/745412429.db2.gz KRWQGKQFJRNWCA-GRYCIOLGSA-N 1 2 290.392 1.335 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3nccs3)C[C@H]21 ZINC001075620984 745412442 /nfs/dbraw/zinc/41/24/42/745412442.db2.gz KRWQGKQFJRNWCA-GRYCIOLGSA-N 1 2 290.392 1.335 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000838077953 745445043 /nfs/dbraw/zinc/44/50/43/745445043.db2.gz FCYYXPGGRSFHFZ-BETUJISGSA-N 1 2 289.335 1.215 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000838077953 745445047 /nfs/dbraw/zinc/44/50/47/745445047.db2.gz FCYYXPGGRSFHFZ-BETUJISGSA-N 1 2 289.335 1.215 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC(C)C)C1CC1 ZINC000884087566 745465003 /nfs/dbraw/zinc/46/50/03/745465003.db2.gz IENYVYFZERXHJS-LBPRGKRZSA-N 1 2 268.357 1.080 20 30 CDEDLO Cc1cnc(C[N@@H+]2CCC3(CN(C(=O)C#CC4CC4)C3)C2)o1 ZINC001072716406 745507802 /nfs/dbraw/zinc/50/78/02/745507802.db2.gz SLGYFINXBFFHSE-UHFFFAOYSA-N 1 2 299.374 1.431 20 30 CDEDLO Cc1cnc(C[N@H+]2CCC3(CN(C(=O)C#CC4CC4)C3)C2)o1 ZINC001072716406 745507817 /nfs/dbraw/zinc/50/78/17/745507817.db2.gz SLGYFINXBFFHSE-UHFFFAOYSA-N 1 2 299.374 1.431 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)c1ccccc1 ZINC000884043629 745528328 /nfs/dbraw/zinc/52/83/28/745528328.db2.gz BQKBUOOLOMKMBL-YPMHNXCESA-N 1 2 276.336 1.310 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2nc(C)n3ccccc23)C1 ZINC001043340953 745551692 /nfs/dbraw/zinc/55/16/92/745551692.db2.gz KIXKEXCCXDSLMK-UHFFFAOYSA-N 1 2 296.374 1.422 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(CC)c1Cl ZINC001032450446 745555487 /nfs/dbraw/zinc/55/54/87/745555487.db2.gz INFXKSHMOXNFEA-UWVGGRQHSA-N 1 2 292.770 1.157 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(CC)c1Cl ZINC001032450446 745555494 /nfs/dbraw/zinc/55/54/94/745555494.db2.gz INFXKSHMOXNFEA-UWVGGRQHSA-N 1 2 292.770 1.157 20 30 CDEDLO CC(C)(C)C#CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000837440670 745562985 /nfs/dbraw/zinc/56/29/85/745562985.db2.gz MSOBCUMGEBYKAB-AWEZNQCLSA-N 1 2 278.396 1.359 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCC)C[C@H]21 ZINC001074144740 745566529 /nfs/dbraw/zinc/56/65/29/745566529.db2.gz UTYWUGBEGHAFQE-ZIAGYGMSSA-N 1 2 266.385 1.664 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCC)C[C@H]21 ZINC001074144740 745566548 /nfs/dbraw/zinc/56/65/48/745566548.db2.gz UTYWUGBEGHAFQE-ZIAGYGMSSA-N 1 2 266.385 1.664 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CCOCC1 ZINC001017427181 745573039 /nfs/dbraw/zinc/57/30/39/745573039.db2.gz KZZYXDNWYQWSPA-GASCZTMLSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CCOCC1 ZINC001017427181 745573055 /nfs/dbraw/zinc/57/30/55/745573055.db2.gz KZZYXDNWYQWSPA-GASCZTMLSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CCCCCC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800193546 745605846 /nfs/dbraw/zinc/60/58/46/745605846.db2.gz SXNLXAZAHDPUSF-CYBMUJFWSA-N 1 2 253.342 1.444 20 30 CDEDLO C#CCCCCC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800193546 745605853 /nfs/dbraw/zinc/60/58/53/745605853.db2.gz SXNLXAZAHDPUSF-CYBMUJFWSA-N 1 2 253.342 1.444 20 30 CDEDLO C#C[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)[C@@H]1CCCO1 ZINC000844484848 745608244 /nfs/dbraw/zinc/60/82/44/745608244.db2.gz JCPVUUPFMDSDFA-AGIUHOORSA-N 1 2 261.325 1.131 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1nc(C)sc1C ZINC001038392477 745715123 /nfs/dbraw/zinc/71/51/23/745715123.db2.gz ATXCHFIJPDPAQE-LBPRGKRZSA-N 1 2 277.393 1.587 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1nc(C)sc1C ZINC001038392477 745715137 /nfs/dbraw/zinc/71/51/37/745715137.db2.gz ATXCHFIJPDPAQE-LBPRGKRZSA-N 1 2 277.393 1.587 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2OCc3ccccc32)C1 ZINC001044243754 745723508 /nfs/dbraw/zinc/72/35/08/745723508.db2.gz LGAMWOXXOFGURM-MRXNPFEDSA-N 1 2 286.375 1.977 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cncn1-c1ccccc1 ZINC001038357776 745749501 /nfs/dbraw/zinc/74/95/01/745749501.db2.gz SCWHMDMQZFMKSO-HNNXBMFYSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cncn1-c1ccccc1 ZINC001038357776 745749515 /nfs/dbraw/zinc/74/95/15/745749515.db2.gz SCWHMDMQZFMKSO-HNNXBMFYSA-N 1 2 294.358 1.310 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC2(C1)OCCO2 ZINC000121383152 745765407 /nfs/dbraw/zinc/76/54/07/745765407.db2.gz UTEJLFDDGLTRLI-UHFFFAOYSA-N 1 2 274.320 1.516 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCC2(C1)OCCO2 ZINC000121383152 745765416 /nfs/dbraw/zinc/76/54/16/745765416.db2.gz UTEJLFDDGLTRLI-UHFFFAOYSA-N 1 2 274.320 1.516 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CCC1 ZINC001050785759 745794703 /nfs/dbraw/zinc/79/47/03/745794703.db2.gz NIZYNAFOPKCKSX-ZDUSSCGKSA-N 1 2 252.358 1.180 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C1CCC1 ZINC001050785759 745794723 /nfs/dbraw/zinc/79/47/23/745794723.db2.gz NIZYNAFOPKCKSX-ZDUSSCGKSA-N 1 2 252.358 1.180 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2ccn(C)n2)C1 ZINC001027335063 745800593 /nfs/dbraw/zinc/80/05/93/745800593.db2.gz BEQMNFXHTDZAKC-OCCSQVGLSA-N 1 2 289.383 1.003 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC001027335063 745800594 /nfs/dbraw/zinc/80/05/94/745800594.db2.gz BEQMNFXHTDZAKC-OCCSQVGLSA-N 1 2 289.383 1.003 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)ccc2OC)C1 ZINC001030631009 745812334 /nfs/dbraw/zinc/81/23/34/745812334.db2.gz IXXGWDRHLTZKNV-UHFFFAOYSA-N 1 2 272.348 1.441 20 30 CDEDLO CCc1ccc(C#CC(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000857946491 745824879 /nfs/dbraw/zinc/82/48/79/745824879.db2.gz XGZYYTBYQKHJHU-INIZCTEOSA-N 1 2 293.370 1.928 20 30 CDEDLO C=C(C)CC[NH+]1CC(NC(=O)c2cc(OCC)no2)C1 ZINC001030689584 745832807 /nfs/dbraw/zinc/83/28/07/745832807.db2.gz PMKADDVANNVOGS-UHFFFAOYSA-N 1 2 279.340 1.454 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CO[C@@H](C)C2)C1 ZINC001043147886 745852734 /nfs/dbraw/zinc/85/27/34/745852734.db2.gz VTNURWQQJRONQJ-RYUDHWBXSA-N 1 2 252.358 1.130 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](CC[C@H](C)F)C2)nc1 ZINC001031278198 745863310 /nfs/dbraw/zinc/86/33/10/745863310.db2.gz HAQIETUXVXZMQB-NSHDSACASA-N 1 2 275.327 1.225 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2cnccc2o1 ZINC001038466797 745881528 /nfs/dbraw/zinc/88/15/28/745881528.db2.gz VEWYBGMLNIPRNP-CYBMUJFWSA-N 1 2 283.331 1.655 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2cnccc2o1 ZINC001038466797 745881529 /nfs/dbraw/zinc/88/15/29/745881529.db2.gz VEWYBGMLNIPRNP-CYBMUJFWSA-N 1 2 283.331 1.655 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(CCC)on1 ZINC001038861579 745892254 /nfs/dbraw/zinc/89/22/54/745892254.db2.gz WOLGQOJTLIYWDB-LLVKDONJSA-N 1 2 263.341 1.617 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(CCC)on1 ZINC001038861579 745892256 /nfs/dbraw/zinc/89/22/56/745892256.db2.gz WOLGQOJTLIYWDB-LLVKDONJSA-N 1 2 263.341 1.617 20 30 CDEDLO CN(C(=O)C(F)F)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001032855910 745916772 /nfs/dbraw/zinc/91/67/72/745916772.db2.gz MJZCGHVOWKLUNC-VIFPVBQESA-N 1 2 299.346 1.918 20 30 CDEDLO CN(C(=O)C(F)F)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001032855910 745916789 /nfs/dbraw/zinc/91/67/89/745916789.db2.gz MJZCGHVOWKLUNC-VIFPVBQESA-N 1 2 299.346 1.918 20 30 CDEDLO CCC(=[NH+]NC(=S)N(C)C)c1cccc(N)c1 ZINC000814844002 746061624 /nfs/dbraw/zinc/06/16/24/746061624.db2.gz YWWKOYIFTWPCMX-UHFFFAOYSA-N 1 2 250.371 1.819 20 30 CDEDLO C#Cc1cncc(C(=O)N(C)C2C[NH+](CCCF)C2)c1 ZINC001043821397 746067179 /nfs/dbraw/zinc/06/71/79/746067179.db2.gz GONUGMXBOHQFBK-UHFFFAOYSA-N 1 2 275.327 1.179 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H]1CCC[C@@H](C)C1 ZINC000884076867 746089588 /nfs/dbraw/zinc/08/95/88/746089588.db2.gz RHYGKHQKMAKEQR-AGIUHOORSA-N 1 2 282.384 1.470 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2n[nH]c3ccccc32)C1 ZINC001044252745 746090707 /nfs/dbraw/zinc/09/07/07/746090707.db2.gz MQSFEDVKHDOLIT-UHFFFAOYSA-N 1 2 284.363 1.895 20 30 CDEDLO CC1(C)CN(C[N@@H+]2CCC[C@@H](CC#N)C2)C(=O)O1 ZINC000853523890 746101736 /nfs/dbraw/zinc/10/17/36/746101736.db2.gz IIIBIVZFLVZBNQ-NSHDSACASA-N 1 2 251.330 1.800 20 30 CDEDLO CC1(C)CN(C[N@H+]2CCC[C@@H](CC#N)C2)C(=O)O1 ZINC000853523890 746101741 /nfs/dbraw/zinc/10/17/41/746101741.db2.gz IIIBIVZFLVZBNQ-NSHDSACASA-N 1 2 251.330 1.800 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001033921726 746103552 /nfs/dbraw/zinc/10/35/52/746103552.db2.gz FAEGQFJQALYOIS-IGQOVBAYSA-N 1 2 298.814 1.554 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001033921726 746103574 /nfs/dbraw/zinc/10/35/74/746103574.db2.gz FAEGQFJQALYOIS-IGQOVBAYSA-N 1 2 298.814 1.554 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCOCC2)C1 ZINC001042670407 746191791 /nfs/dbraw/zinc/19/17/91/746191791.db2.gz CFVYJQSQJPWSHK-GFCCVEGCSA-N 1 2 252.358 1.132 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1cccc(OC)c1 ZINC001032803647 746194914 /nfs/dbraw/zinc/19/49/14/746194914.db2.gz HQUICEQVVBMWJQ-BPUTZDHNSA-N 1 2 298.386 1.717 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1cccc(OC)c1 ZINC001032803647 746194923 /nfs/dbraw/zinc/19/49/23/746194923.db2.gz HQUICEQVVBMWJQ-BPUTZDHNSA-N 1 2 298.386 1.717 20 30 CDEDLO C=CC[N@@H+](CCCc1cnn(C)c1)CC(=O)OCC ZINC000126108541 746201519 /nfs/dbraw/zinc/20/15/19/746201519.db2.gz GJRZIZZLPMIBDP-UHFFFAOYSA-N 1 2 265.357 1.404 20 30 CDEDLO C=CC[N@H+](CCCc1cnn(C)c1)CC(=O)OCC ZINC000126108541 746201527 /nfs/dbraw/zinc/20/15/27/746201527.db2.gz GJRZIZZLPMIBDP-UHFFFAOYSA-N 1 2 265.357 1.404 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)C[C@H](C)CC ZINC000884141958 746257467 /nfs/dbraw/zinc/25/74/67/746257467.db2.gz NQYULQWDUJBLAQ-UTUOFQBUSA-N 1 2 270.373 1.374 20 30 CDEDLO C[C@@H](C#N)OCC[NH+]1CCN(Cc2cccs2)CC1 ZINC000801912458 746305344 /nfs/dbraw/zinc/30/53/44/746305344.db2.gz RMVWRWYLYTUKGY-ZDUSSCGKSA-N 1 2 279.409 1.794 20 30 CDEDLO Cn1ncc(C=[NH+]Nc2ccc([N+](=O)[O-])cc2)c1N ZINC000814682026 746318028 /nfs/dbraw/zinc/31/80/28/746318028.db2.gz FXMWDGUULVLATG-UHFFFAOYSA-N 1 2 260.257 1.357 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)SC)CCO2 ZINC001053165438 746328410 /nfs/dbraw/zinc/32/84/10/746328410.db2.gz USZIFXKFCNXAAX-GFCCVEGCSA-N 1 2 284.425 1.227 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000791360207 746333824 /nfs/dbraw/zinc/33/38/24/746333824.db2.gz OORBZNCWHHGYPU-MRXNPFEDSA-N 1 2 285.347 1.816 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2ccccn12 ZINC001038436327 746336643 /nfs/dbraw/zinc/33/66/43/746336643.db2.gz FTIVSEJZMFLTBK-CYBMUJFWSA-N 1 2 282.347 1.162 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2ccccn12 ZINC001038436327 746336649 /nfs/dbraw/zinc/33/66/49/746336649.db2.gz FTIVSEJZMFLTBK-CYBMUJFWSA-N 1 2 282.347 1.162 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3cn[nH]c32)C1 ZINC001014435228 746339835 /nfs/dbraw/zinc/33/98/35/746339835.db2.gz NIIHYAPBHYRJLO-UONOGXRCSA-N 1 2 288.395 1.596 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3cn[nH]c32)C1 ZINC001014435228 746339844 /nfs/dbraw/zinc/33/98/44/746339844.db2.gz NIIHYAPBHYRJLO-UONOGXRCSA-N 1 2 288.395 1.596 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](C[C@H](O)COCc2ccccc2F)C1 ZINC000932163455 746367287 /nfs/dbraw/zinc/36/72/87/746367287.db2.gz URRMFRRHCYIVPX-ZFWWWQNUSA-N 1 2 292.354 1.939 20 30 CDEDLO N#C[C@@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2F)C1 ZINC000932163455 746367292 /nfs/dbraw/zinc/36/72/92/746367292.db2.gz URRMFRRHCYIVPX-ZFWWWQNUSA-N 1 2 292.354 1.939 20 30 CDEDLO S=C(NCc1ccccc1)NN=C1C[NH+]2CCC1CC2 ZINC000864094816 746373598 /nfs/dbraw/zinc/37/35/98/746373598.db2.gz GAMZHPJSOOZMLX-UHFFFAOYSA-N 1 2 288.420 1.732 20 30 CDEDLO Cn1c(CC#N)nn(C[N@@H+]2CCC[C@@H]2C2CC2)c1=S ZINC000794625177 746377576 /nfs/dbraw/zinc/37/75/76/746377576.db2.gz BCRJNAQPRHMDFC-LLVKDONJSA-N 1 2 277.397 1.849 20 30 CDEDLO Cn1c(CC#N)nn(C[N@H+]2CCC[C@@H]2C2CC2)c1=S ZINC000794625177 746377583 /nfs/dbraw/zinc/37/75/83/746377583.db2.gz BCRJNAQPRHMDFC-LLVKDONJSA-N 1 2 277.397 1.849 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2ccn(C)n2)C1 ZINC001027335062 746432315 /nfs/dbraw/zinc/43/23/15/746432315.db2.gz BEQMNFXHTDZAKC-JSGCOSHPSA-N 1 2 289.383 1.003 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC001027335062 746432333 /nfs/dbraw/zinc/43/23/33/746432333.db2.gz BEQMNFXHTDZAKC-JSGCOSHPSA-N 1 2 289.383 1.003 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3CCC[C@H](NCC#N)C3)ccn12 ZINC000999153235 746444459 /nfs/dbraw/zinc/44/44/59/746444459.db2.gz NOKFRBRHNIWGQK-AWEZNQCLSA-N 1 2 297.362 1.361 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](Nc2snc(C)c2C#N)C1 ZINC000884611936 746457356 /nfs/dbraw/zinc/45/73/56/746457356.db2.gz YRMSMMJYUYDMQT-NSHDSACASA-N 1 2 260.366 1.833 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](Nc2snc(C)c2C#N)C1 ZINC000884611936 746457363 /nfs/dbraw/zinc/45/73/63/746457363.db2.gz YRMSMMJYUYDMQT-NSHDSACASA-N 1 2 260.366 1.833 20 30 CDEDLO N#C[C@H]1CSCCN1C(=O)c1cccc2[nH+]ccn21 ZINC000775571804 746459740 /nfs/dbraw/zinc/45/97/40/746459740.db2.gz JJZRDGXMKVXSST-JTQLQIEISA-N 1 2 272.333 1.415 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2cn[nH]c21 ZINC001032554151 746564129 /nfs/dbraw/zinc/56/41/29/746564129.db2.gz SNANIVMKIXQVTI-KBPBESRZSA-N 1 2 294.358 1.485 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2cn[nH]c21 ZINC001032554151 746564134 /nfs/dbraw/zinc/56/41/34/746564134.db2.gz SNANIVMKIXQVTI-KBPBESRZSA-N 1 2 294.358 1.485 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c[nH]nc21 ZINC001032554151 746564136 /nfs/dbraw/zinc/56/41/36/746564136.db2.gz SNANIVMKIXQVTI-KBPBESRZSA-N 1 2 294.358 1.485 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c[nH]nc21 ZINC001032554151 746564143 /nfs/dbraw/zinc/56/41/43/746564143.db2.gz SNANIVMKIXQVTI-KBPBESRZSA-N 1 2 294.358 1.485 20 30 CDEDLO CN(CC#N)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001027462564 746590543 /nfs/dbraw/zinc/59/05/43/746590543.db2.gz GVRYKOZUHBQBQK-ZDUSSCGKSA-N 1 2 297.362 1.623 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(F)cc(F)c2)C1 ZINC001035596443 746623306 /nfs/dbraw/zinc/62/33/06/746623306.db2.gz ARFSESIKDWYGES-AWEZNQCLSA-N 1 2 296.317 1.581 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(F)cc(F)c2)C1 ZINC001035596443 746623323 /nfs/dbraw/zinc/62/33/23/746623323.db2.gz ARFSESIKDWYGES-AWEZNQCLSA-N 1 2 296.317 1.581 20 30 CDEDLO Cc1conc1C[N@@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001075780151 746672123 /nfs/dbraw/zinc/67/21/23/746672123.db2.gz DVHZAWDRCOZLST-GOEBONIOSA-N 1 2 299.374 1.429 20 30 CDEDLO Cc1conc1C[N@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001075780151 746672128 /nfs/dbraw/zinc/67/21/28/746672128.db2.gz DVHZAWDRCOZLST-GOEBONIOSA-N 1 2 299.374 1.429 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1nncc2ccccc21 ZINC001038503375 746674517 /nfs/dbraw/zinc/67/45/17/746674517.db2.gz HBEFSQYQEQFYEV-CYBMUJFWSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nncc2ccccc21 ZINC001038503375 746674523 /nfs/dbraw/zinc/67/45/23/746674523.db2.gz HBEFSQYQEQFYEV-CYBMUJFWSA-N 1 2 280.331 1.067 20 30 CDEDLO C=CCNC(=S)N[NH+]=C1CCCc2cc(N)ccc21 ZINC000834920379 746699994 /nfs/dbraw/zinc/69/99/94/746699994.db2.gz PMOOTUYYBOWBFZ-UHFFFAOYSA-N 1 2 274.393 1.959 20 30 CDEDLO C#CCCCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000174098906 746739797 /nfs/dbraw/zinc/73/97/97/746739797.db2.gz DAXCXDHRIIIPNT-UHFFFAOYSA-N 1 2 286.379 1.894 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccoc1C)O2 ZINC001053570331 746804434 /nfs/dbraw/zinc/80/44/34/746804434.db2.gz QMNZNERSBFWSQH-ZDUSSCGKSA-N 1 2 290.363 1.737 20 30 CDEDLO CCOC(=O)c1cnc(N=NCc2[nH]c[nH+]c2C)nc1C ZINC000777892559 746805482 /nfs/dbraw/zinc/80/54/82/746805482.db2.gz UZVUJCXIBLVAON-UHFFFAOYSA-N 1 2 288.311 1.439 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2[nH]nnc2C)C1 ZINC001046531349 746807513 /nfs/dbraw/zinc/80/75/13/746807513.db2.gz NJJRYTBOCXEVTN-GFCCVEGCSA-N 1 2 283.763 1.060 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2[nH]nnc2C)C1 ZINC001046531349 746807517 /nfs/dbraw/zinc/80/75/17/746807517.db2.gz NJJRYTBOCXEVTN-GFCCVEGCSA-N 1 2 283.763 1.060 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2ccn(C)c2c1 ZINC001032716825 746818515 /nfs/dbraw/zinc/81/85/15/746818515.db2.gz FPEHHMQQKAEQDY-HOTGVXAUSA-N 1 2 293.370 1.710 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2ccn(C)c2c1 ZINC001032716825 746818516 /nfs/dbraw/zinc/81/85/16/746818516.db2.gz FPEHHMQQKAEQDY-HOTGVXAUSA-N 1 2 293.370 1.710 20 30 CDEDLO C=CC[N@H+](CN1CC(C)(C)OC1=O)[C@@H](C)COC ZINC000853533967 746818532 /nfs/dbraw/zinc/81/85/32/746818532.db2.gz FQKRVMCLEZENTB-NSHDSACASA-N 1 2 256.346 1.698 20 30 CDEDLO C=CC[N@@H+](CN1CC(C)(C)OC1=O)[C@@H](C)COC ZINC000853533967 746818536 /nfs/dbraw/zinc/81/85/36/746818536.db2.gz FQKRVMCLEZENTB-NSHDSACASA-N 1 2 256.346 1.698 20 30 CDEDLO C#CCC[NH+]1CCN(S(=O)(=O)CCC(C)(F)F)CC1 ZINC000866598701 746820665 /nfs/dbraw/zinc/82/06/65/746820665.db2.gz MOPFOCUSJLRBRW-UHFFFAOYSA-N 1 2 294.367 1.002 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001019232003 746831015 /nfs/dbraw/zinc/83/10/15/746831015.db2.gz DOUSDIUIVADJRG-NSHDSACASA-N 1 2 294.424 1.831 20 30 CDEDLO C#CCOCCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000784601388 746833486 /nfs/dbraw/zinc/83/34/86/746833486.db2.gz UWLZTPMTEGDPCB-UHFFFAOYSA-N 1 2 283.331 1.311 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1CCC1)O2 ZINC001053558008 746839210 /nfs/dbraw/zinc/83/92/10/746839210.db2.gz CGTNQNHLEIQHJR-AWEZNQCLSA-N 1 2 278.396 1.712 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000812092192 746851106 /nfs/dbraw/zinc/85/11/06/746851106.db2.gz KABGVIKOZMVIJO-ZDUSSCGKSA-N 1 2 284.363 1.848 20 30 CDEDLO C[C@@H]1C[C@H](C)CN(C(=O)CO[NH+]=C(N)c2ccccc2)C1 ZINC000072807242 746854055 /nfs/dbraw/zinc/85/40/55/746854055.db2.gz MZZPJBVLRYWTOK-BETUJISGSA-N 1 2 289.379 1.828 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1scc2c1OCCO2 ZINC001038875359 746868290 /nfs/dbraw/zinc/86/82/90/746868290.db2.gz LQGRBAGMAUIJDG-JTQLQIEISA-N 1 2 294.376 1.509 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1scc2c1OCCO2 ZINC001038875359 746868294 /nfs/dbraw/zinc/86/82/94/746868294.db2.gz LQGRBAGMAUIJDG-JTQLQIEISA-N 1 2 294.376 1.509 20 30 CDEDLO C=CCC[N@@H+](C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794646407 746870220 /nfs/dbraw/zinc/87/02/20/746870220.db2.gz SHNNRSZDOMDNJG-UHFFFAOYSA-N 1 2 277.280 1.968 20 30 CDEDLO C=CCC[N@H+](C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794646407 746870221 /nfs/dbraw/zinc/87/02/21/746870221.db2.gz SHNNRSZDOMDNJG-UHFFFAOYSA-N 1 2 277.280 1.968 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)C#CC(C)(C)C)[C@H](C)CO1 ZINC000855406312 746905485 /nfs/dbraw/zinc/90/54/85/746905485.db2.gz CZCCTOHTORLMGI-CHWSQXEVSA-N 1 2 266.385 1.261 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)C#CC(C)(C)C)[C@H](C)CO1 ZINC000855406312 746905491 /nfs/dbraw/zinc/90/54/91/746905491.db2.gz CZCCTOHTORLMGI-CHWSQXEVSA-N 1 2 266.385 1.261 20 30 CDEDLO Cc1nn(C)c(C)c1C(=O)/C=C\c1ccc(N)[nH+]c1 ZINC000821039394 746931411 /nfs/dbraw/zinc/93/14/11/746931411.db2.gz QWYSVAAMRVPGRJ-XQRVVYSFSA-N 1 2 256.309 1.910 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCCOCC2)C1 ZINC001030262045 746939871 /nfs/dbraw/zinc/93/98/71/746939871.db2.gz FPWVEVMLILIVLI-LBPRGKRZSA-N 1 2 252.358 1.180 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2coc(C(F)(F)F)n2)C1 ZINC001030612763 746942817 /nfs/dbraw/zinc/94/28/17/746942817.db2.gz FRQCXVVCGKCGRH-UHFFFAOYSA-N 1 2 289.257 1.684 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC001032942392 746960405 /nfs/dbraw/zinc/96/04/05/746960405.db2.gz LZBMRDFMJYRKJF-NEPJUHHUSA-N 1 2 272.776 1.308 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC001032942392 746960437 /nfs/dbraw/zinc/96/04/37/746960437.db2.gz LZBMRDFMJYRKJF-NEPJUHHUSA-N 1 2 272.776 1.308 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCOC[C@H]2C)C1 ZINC001043786941 746970577 /nfs/dbraw/zinc/97/05/77/746970577.db2.gz GTOPRNXADGTFPN-TZMCWYRMSA-N 1 2 266.385 1.378 20 30 CDEDLO C=CC[NH+]1CC(CNC(=O)c2[nH]nc3c2C[C@@H](C)CC3)C1 ZINC001032095211 747027287 /nfs/dbraw/zinc/02/72/87/747027287.db2.gz RKDIVHPUPDMBCJ-NSHDSACASA-N 1 2 288.395 1.382 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@](C)(NC(=O)c2[nH]nc(C)c2C)C1 ZINC001046207095 747097931 /nfs/dbraw/zinc/09/79/31/747097931.db2.gz BNIUABCTQDDXHX-OAHLLOKOSA-N 1 2 274.368 1.244 20 30 CDEDLO CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2[nH]nc(C)c2C)C1 ZINC001046207095 747097941 /nfs/dbraw/zinc/09/79/41/747097941.db2.gz BNIUABCTQDDXHX-OAHLLOKOSA-N 1 2 274.368 1.244 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCCOCC2CC2)cc1 ZINC000181585062 747222047 /nfs/dbraw/zinc/22/20/47/747222047.db2.gz ZKRIQPMDWHXWCG-UHFFFAOYSA-N 1 2 264.325 1.759 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccncn2)[C@@H]1C ZINC000994017678 747228478 /nfs/dbraw/zinc/22/84/78/747228478.db2.gz FPDCVWJQFZHJEJ-NWDGAFQWSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccncn2)[C@@H]1C ZINC000994017678 747228498 /nfs/dbraw/zinc/22/84/98/747228498.db2.gz FPDCVWJQFZHJEJ-NWDGAFQWSA-N 1 2 294.786 1.812 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncc(C)cc1C ZINC001038535677 747239299 /nfs/dbraw/zinc/23/92/99/747239299.db2.gz GVYFBZFQBOKTTO-AWEZNQCLSA-N 1 2 271.364 1.526 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ncc(C)cc1C ZINC001038535677 747239312 /nfs/dbraw/zinc/23/93/12/747239312.db2.gz GVYFBZFQBOKTTO-AWEZNQCLSA-N 1 2 271.364 1.526 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](C[C@@H](O)COCc2cccs2)C1 ZINC000932163015 747274192 /nfs/dbraw/zinc/27/41/92/747274192.db2.gz SJASUVVJWQEAAQ-QWHCGFSZSA-N 1 2 280.393 1.861 20 30 CDEDLO N#C[C@@H]1CCC[N@H+](C[C@@H](O)COCc2cccs2)C1 ZINC000932163015 747274211 /nfs/dbraw/zinc/27/42/11/747274211.db2.gz SJASUVVJWQEAAQ-QWHCGFSZSA-N 1 2 280.393 1.861 20 30 CDEDLO Cc1cccnc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 ZINC001032397832 747302147 /nfs/dbraw/zinc/30/21/47/747302147.db2.gz PRMRQLQRQJOIBT-HOTGVXAUSA-N 1 2 295.386 1.589 20 30 CDEDLO Cc1cccnc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 ZINC001032397832 747302153 /nfs/dbraw/zinc/30/21/53/747302153.db2.gz PRMRQLQRQJOIBT-HOTGVXAUSA-N 1 2 295.386 1.589 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1OCC=C ZINC001032724186 747323294 /nfs/dbraw/zinc/32/32/94/747323294.db2.gz KLRRYOCMBUAKOV-KBPBESRZSA-N 1 2 297.358 1.178 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1OCC=C ZINC001032724186 747323301 /nfs/dbraw/zinc/32/33/01/747323301.db2.gz KLRRYOCMBUAKOV-KBPBESRZSA-N 1 2 297.358 1.178 20 30 CDEDLO CN(C(=O)C#CC(C)(C)C)C(C)(C)C[NH+]1CCOCC1 ZINC000840569106 747370273 /nfs/dbraw/zinc/37/02/73/747370273.db2.gz ZNFHOLKEMOFSHH-UHFFFAOYSA-N 1 2 280.412 1.605 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(F)s2)C1 ZINC001035622355 747383695 /nfs/dbraw/zinc/38/36/95/747383695.db2.gz QRXYOKRXDVIVPU-NSHDSACASA-N 1 2 298.383 1.894 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(F)s2)C1 ZINC001035622355 747383707 /nfs/dbraw/zinc/38/37/07/747383707.db2.gz QRXYOKRXDVIVPU-NSHDSACASA-N 1 2 298.383 1.894 20 30 CDEDLO C=C[C@](C)(CC)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000785753850 747387961 /nfs/dbraw/zinc/38/79/61/747387961.db2.gz MLKKICCFAHSKII-GXTWGEPZSA-N 1 2 255.358 1.853 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1c(OC)ccnc1OC ZINC001038506597 747388479 /nfs/dbraw/zinc/38/84/79/747388479.db2.gz YPIARUFWDKKJQM-LLVKDONJSA-N 1 2 291.351 1.089 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(OC)ccnc1OC ZINC001038506597 747388485 /nfs/dbraw/zinc/38/84/85/747388485.db2.gz YPIARUFWDKKJQM-LLVKDONJSA-N 1 2 291.351 1.089 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cnsn1 ZINC001024902482 747437308 /nfs/dbraw/zinc/43/73/08/747437308.db2.gz SSIYINDWDKLEKP-CMPLNLGQSA-N 1 2 293.396 1.168 20 30 CDEDLO C#CCOCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000851726137 747452603 /nfs/dbraw/zinc/45/26/03/747452603.db2.gz MIOAQWUKSZAHHJ-OAHLLOKOSA-N 1 2 263.312 1.849 20 30 CDEDLO C#CCOCC[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000851726137 747452607 /nfs/dbraw/zinc/45/26/07/747452607.db2.gz MIOAQWUKSZAHHJ-OAHLLOKOSA-N 1 2 263.312 1.849 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2occc2[nH]1 ZINC001038314948 747474910 /nfs/dbraw/zinc/47/49/10/747474910.db2.gz OCHGJIWWZCCRSL-LLVKDONJSA-N 1 2 271.320 1.588 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2occc2[nH]1 ZINC001038314948 747474920 /nfs/dbraw/zinc/47/49/20/747474920.db2.gz OCHGJIWWZCCRSL-LLVKDONJSA-N 1 2 271.320 1.588 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2[nH]nnc2C)[C@@H]1C ZINC000993677164 747580798 /nfs/dbraw/zinc/58/07/98/747580798.db2.gz YIPMUOSZJDSOAB-WDEREUQCSA-N 1 2 297.790 1.448 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2[nH]nnc2C)[C@@H]1C ZINC000993677164 747580807 /nfs/dbraw/zinc/58/08/07/747580807.db2.gz YIPMUOSZJDSOAB-WDEREUQCSA-N 1 2 297.790 1.448 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2sccc2C1 ZINC000884064446 747609712 /nfs/dbraw/zinc/60/97/12/747609712.db2.gz IHKSQSOIFSNTTR-NSHDSACASA-N 1 2 294.376 1.079 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2snnc2C)CC[C@H]1C ZINC001071347964 747629808 /nfs/dbraw/zinc/62/98/08/747629808.db2.gz TXLRSNWECIZBOT-MWLCHTKSSA-N 1 2 278.381 1.062 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2snnc2C)CC[C@H]1C ZINC001071347964 747629818 /nfs/dbraw/zinc/62/98/18/747629818.db2.gz TXLRSNWECIZBOT-MWLCHTKSSA-N 1 2 278.381 1.062 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(OC)cs1 ZINC001038589635 747632537 /nfs/dbraw/zinc/63/25/37/747632537.db2.gz OMKCPGUPVUSMGW-SNVBAGLBSA-N 1 2 266.366 1.747 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(OC)cs1 ZINC001038589635 747632551 /nfs/dbraw/zinc/63/25/51/747632551.db2.gz OMKCPGUPVUSMGW-SNVBAGLBSA-N 1 2 266.366 1.747 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2F)C1 ZINC001035273146 747672563 /nfs/dbraw/zinc/67/25/63/747672563.db2.gz JHJMDZASMOLMTB-CYBMUJFWSA-N 1 2 290.338 1.280 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccccc2F)C1 ZINC001035273146 747672602 /nfs/dbraw/zinc/67/26/02/747672602.db2.gz JHJMDZASMOLMTB-CYBMUJFWSA-N 1 2 290.338 1.280 20 30 CDEDLO C=C(Br)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000776341263 747696185 /nfs/dbraw/zinc/69/61/85/747696185.db2.gz GMQIGIACIWVJNV-VIFPVBQESA-N 1 2 284.157 1.470 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@@H]2OC)C1 ZINC001043145406 747781182 /nfs/dbraw/zinc/78/11/82/747781182.db2.gz YXHVHKCGBHMGMI-KGLIPLIRSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csnn2)C1 ZINC001054975552 747781678 /nfs/dbraw/zinc/78/16/78/747781678.db2.gz DMTVPSZOJXIHAW-ZYHUDNBSSA-N 1 2 294.424 1.687 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)CC(C)(C)CC(C)=O)C1 ZINC000923564149 747803472 /nfs/dbraw/zinc/80/34/72/747803472.db2.gz NWYDHEUYLJRXNZ-AWEZNQCLSA-N 1 2 278.396 1.596 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)CC(C)(C)CC(C)=O)C1 ZINC000923564149 747803473 /nfs/dbraw/zinc/80/34/73/747803473.db2.gz NWYDHEUYLJRXNZ-AWEZNQCLSA-N 1 2 278.396 1.596 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccnn1C ZINC001024360756 747826203 /nfs/dbraw/zinc/82/62/03/747826203.db2.gz WPBOXGFZCZJDMU-GFCCVEGCSA-N 1 2 296.802 1.757 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccnn1C ZINC001024360756 747826204 /nfs/dbraw/zinc/82/62/04/747826204.db2.gz WPBOXGFZCZJDMU-GFCCVEGCSA-N 1 2 296.802 1.757 20 30 CDEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)C[C@H](O)CC#N ZINC000930345924 747831887 /nfs/dbraw/zinc/83/18/87/747831887.db2.gz YLFVEKBKCBKILH-DZGCQCFKSA-N 1 2 289.379 1.412 20 30 CDEDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)C[C@H](O)CC#N ZINC000930345924 747831892 /nfs/dbraw/zinc/83/18/92/747831892.db2.gz YLFVEKBKCBKILH-DZGCQCFKSA-N 1 2 289.379 1.412 20 30 CDEDLO Cc1nc(N[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H](C)C2)cc[nH+]1 ZINC001064770543 747833578 /nfs/dbraw/zinc/83/35/78/747833578.db2.gz SZFGIUQRTXBGMH-SWLSCSKDSA-N 1 2 298.390 1.990 20 30 CDEDLO C=CC[N@H+]1C[C@H](NC(=O)c2[nH]nc3c2CCC3)CC[C@H]1C ZINC001071639913 747839312 /nfs/dbraw/zinc/83/93/12/747839312.db2.gz XMBKASAAGHKPSX-VXGBXAGGSA-N 1 2 288.395 1.667 20 30 CDEDLO C=CC[N@@H+]1C[C@H](NC(=O)c2[nH]nc3c2CCC3)CC[C@H]1C ZINC001071639913 747839314 /nfs/dbraw/zinc/83/93/14/747839314.db2.gz XMBKASAAGHKPSX-VXGBXAGGSA-N 1 2 288.395 1.667 20 30 CDEDLO C#CC[NH+]1CCN(Cn2nc(CC)sc2=S)CC1 ZINC000853490157 747841974 /nfs/dbraw/zinc/84/19/74/747841974.db2.gz OQWHWZVLDAVIQU-UHFFFAOYSA-N 1 2 282.438 1.445 20 30 CDEDLO C#CC1CC[NH+](Cc2[nH]nc(C)c2C(=O)OCC)CC1 ZINC000852204852 747866234 /nfs/dbraw/zinc/86/62/34/747866234.db2.gz HFKGPERVMIIPSL-UHFFFAOYSA-N 1 2 275.352 1.740 20 30 CDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001004341378 747868587 /nfs/dbraw/zinc/86/85/87/747868587.db2.gz WYJZJIPWODOENV-LSDHHAIUSA-N 1 2 291.395 1.392 20 30 CDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001004341378 747868588 /nfs/dbraw/zinc/86/85/88/747868588.db2.gz WYJZJIPWODOENV-LSDHHAIUSA-N 1 2 291.395 1.392 20 30 CDEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC000879219843 747887290 /nfs/dbraw/zinc/88/72/90/747887290.db2.gz YHQDFTLZYBIXSB-STQMWFEESA-N 1 2 280.368 1.330 20 30 CDEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC000879219843 747887293 /nfs/dbraw/zinc/88/72/93/747887293.db2.gz YHQDFTLZYBIXSB-STQMWFEESA-N 1 2 280.368 1.330 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccnc1C ZINC001038648604 747998011 /nfs/dbraw/zinc/99/80/11/747998011.db2.gz UWFUWHFZTXUNIY-ZDUSSCGKSA-N 1 2 257.337 1.217 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccnc1C ZINC001038648604 747998052 /nfs/dbraw/zinc/99/80/52/747998052.db2.gz UWFUWHFZTXUNIY-ZDUSSCGKSA-N 1 2 257.337 1.217 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001065703230 748004801 /nfs/dbraw/zinc/00/48/01/748004801.db2.gz ADANPCLPGQVMFO-HNNXBMFYSA-N 1 2 293.411 1.108 20 30 CDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886815312 748023636 /nfs/dbraw/zinc/02/36/36/748023636.db2.gz BDUMGBPELJKCME-KOLCDFICSA-N 1 2 281.274 1.351 20 30 CDEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886815312 748023647 /nfs/dbraw/zinc/02/36/47/748023647.db2.gz BDUMGBPELJKCME-KOLCDFICSA-N 1 2 281.274 1.351 20 30 CDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccon2)CC1 ZINC001004361096 748045923 /nfs/dbraw/zinc/04/59/23/748045923.db2.gz USMUADYIVZLWLJ-CQSZACIVSA-N 1 2 288.351 1.515 20 30 CDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccon2)CC1 ZINC001004361096 748045926 /nfs/dbraw/zinc/04/59/26/748045926.db2.gz USMUADYIVZLWLJ-CQSZACIVSA-N 1 2 288.351 1.515 20 30 CDEDLO C#CCOc1cccc(OC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000840758087 748047353 /nfs/dbraw/zinc/04/73/53/748047353.db2.gz ZULNMXVRNHPVIS-AWEZNQCLSA-N 1 2 288.347 1.284 20 30 CDEDLO C#CCOc1cccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000840758087 748047361 /nfs/dbraw/zinc/04/73/61/748047361.db2.gz ZULNMXVRNHPVIS-AWEZNQCLSA-N 1 2 288.347 1.284 20 30 CDEDLO C#CCC(C)(C)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836866499 748047891 /nfs/dbraw/zinc/04/78/91/748047891.db2.gz QBJUUMNKILUIKT-BETUJISGSA-N 1 2 264.369 1.015 20 30 CDEDLO C#CCC(C)(C)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836866499 748047903 /nfs/dbraw/zinc/04/79/03/748047903.db2.gz QBJUUMNKILUIKT-BETUJISGSA-N 1 2 264.369 1.015 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)cc1 ZINC001018207530 748061908 /nfs/dbraw/zinc/06/19/08/748061908.db2.gz GOKCEPGFWJUIEY-GASCZTMLSA-N 1 2 284.359 1.617 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)cc1 ZINC001018207530 748061911 /nfs/dbraw/zinc/06/19/11/748061911.db2.gz GOKCEPGFWJUIEY-GASCZTMLSA-N 1 2 284.359 1.617 20 30 CDEDLO COC(=O)Cc1ccc(NN=Cc2c[nH+]c(C)n2C)cc1 ZINC000853369845 748062004 /nfs/dbraw/zinc/06/20/04/748062004.db2.gz VFNYCBZVOZWYBM-UHFFFAOYSA-N 1 2 286.335 1.890 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C)co1)CO2 ZINC001053898926 748069256 /nfs/dbraw/zinc/06/92/56/748069256.db2.gz DWGNBWJTMAFGTM-ZDUSSCGKSA-N 1 2 288.347 1.184 20 30 CDEDLO C=CCN(C(=O)N[C@@H](CC)C[NH+]1CCOCC1)C(C)C ZINC000925588093 748074505 /nfs/dbraw/zinc/07/45/05/748074505.db2.gz NIMOHIOEKQLAGG-AWEZNQCLSA-N 1 2 283.416 1.703 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2nc(Cl)cs2)C1 ZINC001033358920 748232963 /nfs/dbraw/zinc/23/29/63/748232963.db2.gz ROBFEANBQGMGOP-SECBINFHSA-N 1 2 283.784 1.576 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nc(Cl)cs2)C1 ZINC001033358920 748232977 /nfs/dbraw/zinc/23/29/77/748232977.db2.gz ROBFEANBQGMGOP-SECBINFHSA-N 1 2 283.784 1.576 20 30 CDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccon2)CC1 ZINC001004361092 748378150 /nfs/dbraw/zinc/37/81/50/748378150.db2.gz USMUADYIVZLWLJ-AWEZNQCLSA-N 1 2 288.351 1.515 20 30 CDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccon2)CC1 ZINC001004361092 748378159 /nfs/dbraw/zinc/37/81/59/748378159.db2.gz USMUADYIVZLWLJ-AWEZNQCLSA-N 1 2 288.351 1.515 20 30 CDEDLO N#CCN1CC=C(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001140015 748412079 /nfs/dbraw/zinc/41/20/79/748412079.db2.gz VXSHEXFQDLJHLS-CYBMUJFWSA-N 1 2 299.378 1.101 20 30 CDEDLO N#CCNC(=O)C[N@@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC000887150899 748460856 /nfs/dbraw/zinc/46/08/56/748460856.db2.gz BUXBOJHLVCROEV-UHFFFAOYSA-N 1 2 285.347 1.443 20 30 CDEDLO N#CCNC(=O)C[N@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC000887150899 748460867 /nfs/dbraw/zinc/46/08/67/748460867.db2.gz BUXBOJHLVCROEV-UHFFFAOYSA-N 1 2 285.347 1.443 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C2(c3ccccc3)CC2)C1 ZINC001031353713 748477327 /nfs/dbraw/zinc/47/73/27/748477327.db2.gz LBMJKZJOALOTPC-UHFFFAOYSA-N 1 2 268.360 1.542 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnccc1C ZINC001017443257 748484704 /nfs/dbraw/zinc/48/47/04/748484704.db2.gz JIVFMTFFCMPAER-GASCZTMLSA-N 1 2 283.375 1.702 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnccc1C ZINC001017443257 748484712 /nfs/dbraw/zinc/48/47/12/748484712.db2.gz JIVFMTFFCMPAER-GASCZTMLSA-N 1 2 283.375 1.702 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(COC)c1 ZINC001032503040 748509829 /nfs/dbraw/zinc/50/98/29/748509829.db2.gz AVCKRCCPULWZQI-HOTGVXAUSA-N 1 2 284.359 1.365 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(COC)c1 ZINC001032503040 748509837 /nfs/dbraw/zinc/50/98/37/748509837.db2.gz AVCKRCCPULWZQI-HOTGVXAUSA-N 1 2 284.359 1.365 20 30 CDEDLO CCNC(=O)C[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000929296849 748519486 /nfs/dbraw/zinc/51/94/86/748519486.db2.gz PZTPLDDNUFBZHL-UHFFFAOYSA-N 1 2 265.744 1.780 20 30 CDEDLO CCNC(=O)C[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000929296849 748519491 /nfs/dbraw/zinc/51/94/91/748519491.db2.gz PZTPLDDNUFBZHL-UHFFFAOYSA-N 1 2 265.744 1.780 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc(F)c[nH]2)C1 ZINC001031854453 748604361 /nfs/dbraw/zinc/60/43/61/748604361.db2.gz FYVWROULIITHHY-UHFFFAOYSA-N 1 2 271.723 1.568 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000846990186 748614778 /nfs/dbraw/zinc/61/47/78/748614778.db2.gz BHOJWJXAOXOWNC-SECBINFHSA-N 1 2 287.323 1.489 20 30 CDEDLO C=C(Br)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000823475467 748681912 /nfs/dbraw/zinc/68/19/12/748681912.db2.gz KJSZBSOHVITVPB-SNVBAGLBSA-N 1 2 271.162 1.824 20 30 CDEDLO C=C(Br)C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000823475467 748681934 /nfs/dbraw/zinc/68/19/34/748681934.db2.gz KJSZBSOHVITVPB-SNVBAGLBSA-N 1 2 271.162 1.824 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cccc(OCC)n2)C1 ZINC001030712950 748786372 /nfs/dbraw/zinc/78/63/72/748786372.db2.gz GRWWSOBNNSQHOV-UHFFFAOYSA-N 1 2 289.379 1.399 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2cc(C)ccn21 ZINC001032420509 748802346 /nfs/dbraw/zinc/80/23/46/748802346.db2.gz SXHIMNRCNLRUFV-KBPBESRZSA-N 1 2 294.358 1.175 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2cc(C)ccn21 ZINC001032420509 748802348 /nfs/dbraw/zinc/80/23/48/748802348.db2.gz SXHIMNRCNLRUFV-KBPBESRZSA-N 1 2 294.358 1.175 20 30 CDEDLO CC(C)C(=O)N1CCC(=NOCc2ccc[nH+]c2N)CC1 ZINC000853648258 748897207 /nfs/dbraw/zinc/89/72/07/748897207.db2.gz HQDWTDYNSPJELQ-UHFFFAOYSA-N 1 2 290.367 1.815 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C2CCC(C)CC2)C1 ZINC000885509643 748983513 /nfs/dbraw/zinc/98/35/13/748983513.db2.gz VJLQDUWNCAPLCB-SLTAFYQDSA-N 1 2 298.452 1.582 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C2CCC(C)CC2)C1 ZINC000885509643 748983524 /nfs/dbraw/zinc/98/35/24/748983524.db2.gz VJLQDUWNCAPLCB-SLTAFYQDSA-N 1 2 298.452 1.582 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)[nH]c2C)C1 ZINC001035526710 748984708 /nfs/dbraw/zinc/98/47/08/748984708.db2.gz RZWIBZMVBYODQM-ZDUSSCGKSA-N 1 2 277.368 1.248 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)[nH]c2C)C1 ZINC001035526710 748984712 /nfs/dbraw/zinc/98/47/12/748984712.db2.gz RZWIBZMVBYODQM-ZDUSSCGKSA-N 1 2 277.368 1.248 20 30 CDEDLO C#CC[C@@H]([NH2+][C@H]1CCCC12CCOCC2)C(=O)OC ZINC000839169281 749025471 /nfs/dbraw/zinc/02/54/71/749025471.db2.gz QVSUXMQNWMYPKH-OLZOCXBDSA-N 1 2 265.353 1.490 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001006740300 749033745 /nfs/dbraw/zinc/03/37/45/749033745.db2.gz CUGXOYRXDCPHDP-NSHDSACASA-N 1 2 267.760 1.961 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001006740300 749033751 /nfs/dbraw/zinc/03/37/51/749033751.db2.gz CUGXOYRXDCPHDP-NSHDSACASA-N 1 2 267.760 1.961 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccn1CC ZINC001051249261 749070036 /nfs/dbraw/zinc/07/00/36/749070036.db2.gz MMQSEVLJVKEJLV-AWEZNQCLSA-N 1 2 291.395 1.515 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccn1CC ZINC001051249261 749070044 /nfs/dbraw/zinc/07/00/44/749070044.db2.gz MMQSEVLJVKEJLV-AWEZNQCLSA-N 1 2 291.395 1.515 20 30 CDEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)COC)C1 ZINC000970914837 749114883 /nfs/dbraw/zinc/11/48/83/749114883.db2.gz CUTBDNGRZOYIJQ-JTQLQIEISA-N 1 2 291.189 1.074 20 30 CDEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)COC)C1 ZINC000970914837 749114897 /nfs/dbraw/zinc/11/48/97/749114897.db2.gz CUTBDNGRZOYIJQ-JTQLQIEISA-N 1 2 291.189 1.074 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cccc(OC)c1 ZINC000884044692 749133956 /nfs/dbraw/zinc/13/39/56/749133956.db2.gz RGGZOVMAHDMGKH-LBPRGKRZSA-N 1 2 278.308 1.080 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ncc(OC)cc2F)C1 ZINC001042867100 749134323 /nfs/dbraw/zinc/13/43/23/749134323.db2.gz ZDIDYZXCYXBUTN-UHFFFAOYSA-N 1 2 293.342 1.562 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2nc(C)ccc2c1 ZINC001038831517 749185169 /nfs/dbraw/zinc/18/51/69/749185169.db2.gz PGDROQLGVUKUNL-MRXNPFEDSA-N 1 2 293.370 1.981 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2nc(C)ccc2c1 ZINC001038831517 749185176 /nfs/dbraw/zinc/18/51/76/749185176.db2.gz PGDROQLGVUKUNL-MRXNPFEDSA-N 1 2 293.370 1.981 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2sc(C)cc2OC)C1 ZINC001015790957 749198191 /nfs/dbraw/zinc/19/81/91/749198191.db2.gz WUCAKWKFAVCCSM-LLVKDONJSA-N 1 2 278.377 1.502 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2sc(C)cc2OC)C1 ZINC001015790957 749198203 /nfs/dbraw/zinc/19/82/03/749198203.db2.gz WUCAKWKFAVCCSM-LLVKDONJSA-N 1 2 278.377 1.502 20 30 CDEDLO C=C(Cl)CN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001017998955 749227847 /nfs/dbraw/zinc/22/78/47/749227847.db2.gz SWVZTTHQERPFJU-BETUJISGSA-N 1 2 294.786 1.380 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1oncc1C ZINC001028236924 749232640 /nfs/dbraw/zinc/23/26/40/749232640.db2.gz BDCGMUDODINWBN-LLVKDONJSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1oncc1C ZINC001028236924 749232647 /nfs/dbraw/zinc/23/26/47/749232647.db2.gz BDCGMUDODINWBN-LLVKDONJSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn[nH]1 ZINC001049347192 749235001 /nfs/dbraw/zinc/23/50/01/749235001.db2.gz RGLNYGKMZRNZEE-OLZOCXBDSA-N 1 2 294.786 1.841 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn[nH]1 ZINC001049347192 749235004 /nfs/dbraw/zinc/23/50/04/749235004.db2.gz RGLNYGKMZRNZEE-OLZOCXBDSA-N 1 2 294.786 1.841 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc[nH]n1 ZINC001049347192 749235008 /nfs/dbraw/zinc/23/50/08/749235008.db2.gz RGLNYGKMZRNZEE-OLZOCXBDSA-N 1 2 294.786 1.841 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc[nH]n1 ZINC001049347192 749235012 /nfs/dbraw/zinc/23/50/12/749235012.db2.gz RGLNYGKMZRNZEE-OLZOCXBDSA-N 1 2 294.786 1.841 20 30 CDEDLO C#CC[C@@H]1CCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000884593269 749236675 /nfs/dbraw/zinc/23/66/75/749236675.db2.gz GQIGFKAFRINGTB-CYBMUJFWSA-N 1 2 256.353 1.926 20 30 CDEDLO C#CC[C@@H]1CCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000884593269 749236680 /nfs/dbraw/zinc/23/66/80/749236680.db2.gz GQIGFKAFRINGTB-CYBMUJFWSA-N 1 2 256.353 1.926 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(OC)ccc1F ZINC000884140667 749249968 /nfs/dbraw/zinc/24/99/68/749249968.db2.gz ACVSKDZVQDWDPY-NSHDSACASA-N 1 2 296.298 1.219 20 30 CDEDLO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)C(F)F)C[C@@H]21 ZINC001074137131 749297209 /nfs/dbraw/zinc/29/72/09/749297209.db2.gz MYHHDNXUHALZBT-RYUDHWBXSA-N 1 2 288.338 1.519 20 30 CDEDLO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)C(F)F)C[C@@H]21 ZINC001074137131 749297215 /nfs/dbraw/zinc/29/72/15/749297215.db2.gz MYHHDNXUHALZBT-RYUDHWBXSA-N 1 2 288.338 1.519 20 30 CDEDLO CC[N@H+](Cn1nc(CC#N)n(C)c1=S)C1CCC1 ZINC000794630467 749312251 /nfs/dbraw/zinc/31/22/51/749312251.db2.gz GBDURHOJNWTAGL-UHFFFAOYSA-N 1 2 265.386 1.849 20 30 CDEDLO CC[N@@H+](Cn1nc(CC#N)n(C)c1=S)C1CCC1 ZINC000794630467 749312260 /nfs/dbraw/zinc/31/22/60/749312260.db2.gz GBDURHOJNWTAGL-UHFFFAOYSA-N 1 2 265.386 1.849 20 30 CDEDLO N#Cc1nccc(NCc2ccn3cc[nH+]c3c2)n1 ZINC001639631897 1166957069 /nfs/dbraw/zinc/95/70/69/1166957069.db2.gz ZBEMTDAZDKUSBV-UHFFFAOYSA-N 1 2 250.265 1.030 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC001232673263 912380139 /nfs/dbraw/zinc/38/01/39/912380139.db2.gz DCAOJDUDBQQRBA-GFCCVEGCSA-N 1 2 282.290 1.713 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC001232673263 912380157 /nfs/dbraw/zinc/38/01/57/912380157.db2.gz DCAOJDUDBQQRBA-GFCCVEGCSA-N 1 2 282.290 1.713 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC(C)C1 ZINC001233540383 912853679 /nfs/dbraw/zinc/85/36/79/912853679.db2.gz VXMFIWFDKNFWPW-YMAMQOFZSA-N 1 2 278.396 1.215 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC(C)C1 ZINC001233540383 912853694 /nfs/dbraw/zinc/85/36/94/912853694.db2.gz VXMFIWFDKNFWPW-YMAMQOFZSA-N 1 2 278.396 1.215 20 30 CDEDLO C#Cc1cc(Nc2ccc(C(=O)N(C)C)cc2)cc[nH+]1 ZINC001174003841 912933482 /nfs/dbraw/zinc/93/34/82/912933482.db2.gz KTONLUXKYFDMDJ-UHFFFAOYSA-N 1 2 265.316 1.930 20 30 CDEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1cocn1)CC2 ZINC001272374570 912971520 /nfs/dbraw/zinc/97/15/20/912971520.db2.gz GSFRAYORMSDZFO-CYBMUJFWSA-N 1 2 273.336 1.026 20 30 CDEDLO N#Cc1ccc(-c2noc([C@@H]3CC[NH2+]CC3(F)F)n2)nc1 ZINC001211582881 897374683 /nfs/dbraw/zinc/37/46/83/897374683.db2.gz ORGAGXAAWCKKQC-VIFPVBQESA-N 1 2 291.261 1.715 20 30 CDEDLO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cnc(CC)s1 ZINC001024821947 898267559 /nfs/dbraw/zinc/26/75/59/898267559.db2.gz WFHAOZZZOLYUHP-GFCCVEGCSA-N 1 2 291.420 1.923 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnc(CC)s1 ZINC001024821947 898267575 /nfs/dbraw/zinc/26/75/75/898267575.db2.gz WFHAOZZZOLYUHP-GFCCVEGCSA-N 1 2 291.420 1.923 20 30 CDEDLO Cc1ncn(C)c1C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001235535861 914246151 /nfs/dbraw/zinc/24/61/51/914246151.db2.gz CUBIBFIITAGFRR-LBPRGKRZSA-N 1 2 263.366 1.503 20 30 CDEDLO Cc1ncn(C)c1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001235535861 914246161 /nfs/dbraw/zinc/24/61/61/914246161.db2.gz CUBIBFIITAGFRR-LBPRGKRZSA-N 1 2 263.366 1.503 20 30 CDEDLO N#Cc1cc2cccnc2nc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001176826478 914277422 /nfs/dbraw/zinc/27/74/22/914277422.db2.gz PQCHIKQOJBUBRP-UHFFFAOYSA-N 1 2 278.275 1.406 20 30 CDEDLO C=CCCOCC(=O)N(C)[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001104596020 898777979 /nfs/dbraw/zinc/77/79/79/898777979.db2.gz WCUOCYAVORJGHR-LBPRGKRZSA-N 1 2 292.383 1.637 20 30 CDEDLO CC(C)(NC(=O)Cc1c[nH]c[nH+]1)c1ccc(C#N)cc1 ZINC001176833851 914294790 /nfs/dbraw/zinc/29/47/90/914294790.db2.gz ZIDUWTGWFCUOID-UHFFFAOYSA-N 1 2 268.320 1.875 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCCC)C[C@H]21 ZINC001176917018 914392759 /nfs/dbraw/zinc/39/27/59/914392759.db2.gz BDTDAXSCGITYRO-HUUCEWRRSA-N 1 2 278.396 1.502 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCC)C[C@H]21 ZINC001176917018 914392774 /nfs/dbraw/zinc/39/27/74/914392774.db2.gz BDTDAXSCGITYRO-HUUCEWRRSA-N 1 2 278.396 1.502 20 30 CDEDLO C#CCCCCC(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001125938503 900087163 /nfs/dbraw/zinc/08/71/63/900087163.db2.gz COQZGWGVZYZMEY-NSHDSACASA-N 1 2 280.397 1.499 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H]2OCC[N@H+](CCC#C)[C@@H]2C1 ZINC001177005559 914429557 /nfs/dbraw/zinc/42/95/57/914429557.db2.gz HYOYZNRBKCUUKG-CVEARBPZSA-N 1 2 288.391 1.115 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCC#C)[C@@H]2C1 ZINC001177005559 914429568 /nfs/dbraw/zinc/42/95/68/914429568.db2.gz HYOYZNRBKCUUKG-CVEARBPZSA-N 1 2 288.391 1.115 20 30 CDEDLO C#CCCCC(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001126331626 901531571 /nfs/dbraw/zinc/53/15/71/901531571.db2.gz BKBHYSOYRHOFMB-UHFFFAOYSA-N 1 2 275.352 1.561 20 30 CDEDLO C#CCCCC(=O)NCC[NH2+][C@@H](C)c1nc(CC)no1 ZINC001126355632 902224477 /nfs/dbraw/zinc/22/44/77/902224477.db2.gz DMJKTJXMNKWYDQ-NSHDSACASA-N 1 2 278.356 1.202 20 30 CDEDLO C=C(C)CCC(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128372939 921284361 /nfs/dbraw/zinc/28/43/61/921284361.db2.gz XVWZMIFXXFJJCR-UHFFFAOYSA-N 1 2 276.384 1.691 20 30 CDEDLO C=C(C)CCC(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128372939 921284364 /nfs/dbraw/zinc/28/43/64/921284364.db2.gz XVWZMIFXXFJJCR-UHFFFAOYSA-N 1 2 276.384 1.691 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(OC)ccc2C#N)CC1 ZINC001189076473 921315538 /nfs/dbraw/zinc/31/55/38/921315538.db2.gz URBYYDMYZPIDCK-UHFFFAOYSA-N 1 2 285.347 1.511 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C=C1CCC1)c1nccn12 ZINC001092361076 909373298 /nfs/dbraw/zinc/37/32/98/909373298.db2.gz ANHLKSZCSLNOCO-CQSZACIVSA-N 1 2 298.390 1.751 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C1CCC1)c1nccn12 ZINC001092342261 909382500 /nfs/dbraw/zinc/38/25/00/909382500.db2.gz KEKTYAHPELJFDN-ZDUSSCGKSA-N 1 2 286.379 1.441 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](F)C(C)C)CC2)C1 ZINC001093562325 910015534 /nfs/dbraw/zinc/01/55/34/910015534.db2.gz HFZQPGYNJFALIJ-HNNXBMFYSA-N 1 2 298.402 1.858 20 30 CDEDLO Cc1cnc(N[C@@H]2CCC[N@@H+](C3COC3)C2)cc1C#N ZINC001168370242 910424860 /nfs/dbraw/zinc/42/48/60/910424860.db2.gz ZUKUXMNMBHVBED-CYBMUJFWSA-N 1 2 272.352 1.537 20 30 CDEDLO Cc1cnc(N[C@@H]2CCC[N@H+](C3COC3)C2)cc1C#N ZINC001168370242 910424866 /nfs/dbraw/zinc/42/48/66/910424866.db2.gz ZUKUXMNMBHVBED-CYBMUJFWSA-N 1 2 272.352 1.537 20 30 CDEDLO Cn1ccc(CNc2cc(C3(C#N)CC3)cc[nH+]2)cc1=O ZINC001168398864 911501049 /nfs/dbraw/zinc/50/10/49/911501049.db2.gz FQONKNGMLPSPMQ-UHFFFAOYSA-N 1 2 280.331 1.948 20 30 CDEDLO CC(=O)[C@@H]1C[N@H+]([C@H](C)Cc2ccc(C#N)cc2)CCO1 ZINC001172315875 911560591 /nfs/dbraw/zinc/56/05/91/911560591.db2.gz LSKWCDLMFGMAJZ-WBMJQRKESA-N 1 2 272.348 1.779 20 30 CDEDLO CC(=O)[C@@H]1C[N@@H+]([C@H](C)Cc2ccc(C#N)cc2)CCO1 ZINC001172315875 911560602 /nfs/dbraw/zinc/56/06/02/911560602.db2.gz LSKWCDLMFGMAJZ-WBMJQRKESA-N 1 2 272.348 1.779 20 30 CDEDLO C[C@@H](CCCC#N)[NH2+][C@H]1Oc2ccc(CCO)cc2O1 ZINC001172490672 911727332 /nfs/dbraw/zinc/72/73/32/911727332.db2.gz JUJKSFBTKYSWFU-NHYWBVRUSA-N 1 2 276.336 1.948 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CC2CC2)C1 ZINC001485487207 917011218 /nfs/dbraw/zinc/01/12/18/917011218.db2.gz WLSYNVKLSNVJNC-JTQLQIEISA-N 1 2 256.777 1.976 20 30 CDEDLO C#CCC[NH2+][C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001182719614 918069510 /nfs/dbraw/zinc/06/95/10/918069510.db2.gz SOLHAQJIMWXYLI-BDAKNGLRSA-N 1 2 266.238 1.101 20 30 CDEDLO C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001182719614 918069524 /nfs/dbraw/zinc/06/95/24/918069524.db2.gz SOLHAQJIMWXYLI-BDAKNGLRSA-N 1 2 266.238 1.101 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)cc1OC ZINC001138343545 936522979 /nfs/dbraw/zinc/52/29/79/936522979.db2.gz LYAGMCDDLISXOV-MRXNPFEDSA-N 1 2 293.338 1.614 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CC[C@](F)(CO)C2)cc1OC ZINC001138343545 936522981 /nfs/dbraw/zinc/52/29/81/936522981.db2.gz LYAGMCDDLISXOV-MRXNPFEDSA-N 1 2 293.338 1.614 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCOCC(C)C)C1 ZINC001107763942 918758363 /nfs/dbraw/zinc/75/83/63/918758363.db2.gz NRUUALPCIIZXOD-INIZCTEOSA-N 1 2 298.427 1.442 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCOCC(C)C)C1 ZINC001107763942 918758373 /nfs/dbraw/zinc/75/83/73/918758373.db2.gz NRUUALPCIIZXOD-INIZCTEOSA-N 1 2 298.427 1.442 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCC[C@@H]2CO)CC1 ZINC001184170685 918901078 /nfs/dbraw/zinc/90/10/78/918901078.db2.gz XXAZNJVNWLIIPB-ZIAGYGMSSA-N 1 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C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]ccc2C)[C@@H](O)C1 ZINC001090233184 922720434 /nfs/dbraw/zinc/72/04/34/922720434.db2.gz FOAKBBSFQFMADE-NEPJUHHUSA-N 1 2 297.786 1.241 20 30 CDEDLO C/C=C(\C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001192119809 922914129 /nfs/dbraw/zinc/91/41/29/922914129.db2.gz ONGYUSLICSQWDU-OZXDREDASA-N 1 2 298.386 1.166 20 30 CDEDLO C/C=C(\C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001192119809 922914133 /nfs/dbraw/zinc/91/41/33/922914133.db2.gz ONGYUSLICSQWDU-OZXDREDASA-N 1 2 298.386 1.166 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]c(C(F)(F)F)n2)CC1 ZINC001194777639 924334453 /nfs/dbraw/zinc/33/44/53/924334453.db2.gz IARNPZIXZBCXAK-UHFFFAOYSA-N 1 2 288.273 1.372 20 30 CDEDLO CC(C)C#CC(=O)N1CCC[N@H+](C/C=C\Cl)CC1 ZINC001195754729 924700949 /nfs/dbraw/zinc/70/09/49/924700949.db2.gz SNZSIAWRJRWTNG-CLTKARDFSA-N 1 2 268.788 1.933 20 30 CDEDLO CC(C)C#CC(=O)N1CCC[N@@H+](C/C=C\Cl)CC1 ZINC001195754729 924700958 /nfs/dbraw/zinc/70/09/58/924700958.db2.gz SNZSIAWRJRWTNG-CLTKARDFSA-N 1 2 268.788 1.933 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)CC)CC1 ZINC001196970543 925014961 /nfs/dbraw/zinc/01/49/61/925014961.db2.gz KEPOSUCDOXKJOU-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)CC)CC1 ZINC001196970543 925014964 /nfs/dbraw/zinc/01/49/64/925014964.db2.gz KEPOSUCDOXKJOU-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO Cc1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)[C@@H]3C2)o1 ZINC001084236267 925200628 /nfs/dbraw/zinc/20/06/28/925200628.db2.gz CGGMJDULMKYGGX-ZKYQVNSYSA-N 1 2 288.351 1.175 20 30 CDEDLO Cc1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)[C@@H]3C2)o1 ZINC001084236267 925200637 /nfs/dbraw/zinc/20/06/37/925200637.db2.gz CGGMJDULMKYGGX-ZKYQVNSYSA-N 1 2 288.351 1.175 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C=C(C)C)c1nccn12 ZINC001101606126 936994096 /nfs/dbraw/zinc/99/40/96/936994096.db2.gz PIGUOIRUCXOPKL-CYBMUJFWSA-N 1 2 286.379 1.607 20 30 CDEDLO 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/nfs/dbraw/zinc/78/80/56/925788056.db2.gz ZWRQARJLNUZVTG-MRXNPFEDSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2(C)CC(=C)C2)C1 ZINC001108202267 925788062 /nfs/dbraw/zinc/78/80/62/925788062.db2.gz ZWRQARJLNUZVTG-MRXNPFEDSA-N 1 2 278.396 1.736 20 30 CDEDLO CN(CCNc1ncccc1C#N)C(=O)CCc1c[nH]c[nH+]1 ZINC001102021283 937037334 /nfs/dbraw/zinc/03/73/34/937037334.db2.gz HXAPSJKXYUXOIL-UHFFFAOYSA-N 1 2 298.350 1.179 20 30 CDEDLO CN(CCNc1ncccc1C#N)C(=O)CCc1c[nH+]c[nH]1 ZINC001102021283 937037336 /nfs/dbraw/zinc/03/73/36/937037336.db2.gz HXAPSJKXYUXOIL-UHFFFAOYSA-N 1 2 298.350 1.179 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1csnc1C ZINC001085553869 926141197 /nfs/dbraw/zinc/14/11/97/926141197.db2.gz BQRKNRHXEUJAAQ-LBPRGKRZSA-N 1 2 277.393 1.621 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1csnc1C ZINC001085553869 926141200 /nfs/dbraw/zinc/14/12/00/926141200.db2.gz BQRKNRHXEUJAAQ-LBPRGKRZSA-N 1 2 277.393 1.621 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C2CC2)cnn1C 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C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(F)c1F ZINC001085789726 926398926 /nfs/dbraw/zinc/39/89/26/926398926.db2.gz PLWKDOHKRDQIFF-LLVKDONJSA-N 1 2 278.302 1.744 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(F)c1F ZINC001085789726 926398935 /nfs/dbraw/zinc/39/89/35/926398935.db2.gz PLWKDOHKRDQIFF-LLVKDONJSA-N 1 2 278.302 1.744 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2[nH]ccc2c1 ZINC001085792829 926402064 /nfs/dbraw/zinc/40/20/64/926402064.db2.gz VDRFUUIQBUDNAU-OAHLLOKOSA-N 1 2 281.359 1.947 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2[nH]ccc2c1 ZINC001085792829 926402076 /nfs/dbraw/zinc/40/20/76/926402076.db2.gz VDRFUUIQBUDNAU-OAHLLOKOSA-N 1 2 281.359 1.947 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nn(C)c(C)c1Cl ZINC001085848767 926445052 /nfs/dbraw/zinc/44/50/52/926445052.db2.gz GFNBLFHMIUCYOX-NSHDSACASA-N 1 2 294.786 1.161 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nn(C)c(C)c1Cl ZINC001085848767 926445061 /nfs/dbraw/zinc/44/50/61/926445061.db2.gz GFNBLFHMIUCYOX-NSHDSACASA-N 1 2 294.786 1.161 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(OC)c1F ZINC001085888861 926479502 /nfs/dbraw/zinc/47/95/02/926479502.db2.gz JTDNMPIHLPWMRC-LBPRGKRZSA-N 1 2 290.338 1.614 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(OC)c1F ZINC001085888861 926479507 /nfs/dbraw/zinc/47/95/07/926479507.db2.gz JTDNMPIHLPWMRC-LBPRGKRZSA-N 1 2 290.338 1.614 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2[nH]c(C)nc2c1 ZINC001085895122 926486105 /nfs/dbraw/zinc/48/61/05/926486105.db2.gz UUWBZISZAWIOOQ-AWEZNQCLSA-N 1 2 296.374 1.651 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2[nH]c(C)nc2c1 ZINC001085895122 926486108 /nfs/dbraw/zinc/48/61/08/926486108.db2.gz UUWBZISZAWIOOQ-AWEZNQCLSA-N 1 2 296.374 1.651 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnoc1C1CC1 ZINC001085903241 926491732 /nfs/dbraw/zinc/49/17/32/926491732.db2.gz AAUJXQDPSFWZHQ-CYBMUJFWSA-N 1 2 287.363 1.722 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnoc1C1CC1 ZINC001085903241 926491737 /nfs/dbraw/zinc/49/17/37/926491737.db2.gz AAUJXQDPSFWZHQ-CYBMUJFWSA-N 1 2 287.363 1.722 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)C(C)(F)F)C1 ZINC001108220625 926494333 /nfs/dbraw/zinc/49/43/33/926494333.db2.gz JDOABDPOUCBHRR-WCQYABFASA-N 1 2 290.354 1.671 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)C(C)(F)F)C1 ZINC001108220625 926494334 /nfs/dbraw/zinc/49/43/34/926494334.db2.gz JDOABDPOUCBHRR-WCQYABFASA-N 1 2 290.354 1.671 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1csc(Cl)n1 ZINC001085911228 926500765 /nfs/dbraw/zinc/50/07/65/926500765.db2.gz YPSAFDGOJLIIEU-SNVBAGLBSA-N 1 2 297.811 1.966 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1csc(Cl)n1 ZINC001085911228 926500772 /nfs/dbraw/zinc/50/07/72/926500772.db2.gz YPSAFDGOJLIIEU-SNVBAGLBSA-N 1 2 297.811 1.966 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C2CC2)cn1 ZINC001085952117 926536115 /nfs/dbraw/zinc/53/61/15/926536115.db2.gz UHKNHRRLAOJBAR-OAHLLOKOSA-N 1 2 283.375 1.739 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C2CC2)cn1 ZINC001085952117 926536119 /nfs/dbraw/zinc/53/61/19/926536119.db2.gz UHKNHRRLAOJBAR-OAHLLOKOSA-N 1 2 283.375 1.739 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC23CC3)C1 ZINC001108241948 926671047 /nfs/dbraw/zinc/67/10/47/926671047.db2.gz HHUHUEGOSJSBBI-ZFWWWQNUSA-N 1 2 276.380 1.017 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC23CC3)C1 ZINC001108241948 926671050 /nfs/dbraw/zinc/67/10/50/926671050.db2.gz HHUHUEGOSJSBBI-ZFWWWQNUSA-N 1 2 276.380 1.017 20 30 CDEDLO CC[C@H](CNC(=O)C#CC1CC1)Nc1cc[nH+]c(C)n1 ZINC001103055242 937117212 /nfs/dbraw/zinc/11/72/12/937117212.db2.gz WYGCGXMJWGZULT-CYBMUJFWSA-N 1 2 272.352 1.505 20 30 CDEDLO CC[C@H](CNC(=O)Cn1cc[nH+]c1)Nc1ccc(C#N)cn1 ZINC001103118106 937123662 /nfs/dbraw/zinc/12/36/62/937123662.db2.gz QPXVCQKXSLCLQT-CYBMUJFWSA-N 1 2 298.350 1.157 20 30 CDEDLO CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1ccc(C#N)nc1 ZINC001103161686 937126177 /nfs/dbraw/zinc/12/61/77/937126177.db2.gz HQYRFDFMJIAZNS-LLVKDONJSA-N 1 2 298.350 1.226 20 30 CDEDLO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2)C1 ZINC001490426871 927175620 /nfs/dbraw/zinc/17/56/20/927175620.db2.gz HAGOQCDEFYNKFY-CQSZACIVSA-N 1 2 276.336 1.124 20 30 CDEDLO COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccoc2)C1 ZINC001490426871 927175629 /nfs/dbraw/zinc/17/56/29/927175629.db2.gz HAGOQCDEFYNKFY-CQSZACIVSA-N 1 2 276.336 1.124 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NC[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001103938008 937179126 /nfs/dbraw/zinc/17/91/26/937179126.db2.gz QJEHRISZXWARCO-IAQYHMDHSA-N 1 2 292.383 1.276 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)/C(C)=C/C)C1 ZINC001149480781 937184363 /nfs/dbraw/zinc/18/43/63/937184363.db2.gz CBSQRBWGXZACAE-RVFSUOIPSA-N 1 2 286.803 1.912 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)/C(C)=C/C)C1 ZINC001149480781 937184365 /nfs/dbraw/zinc/18/43/65/937184365.db2.gz CBSQRBWGXZACAE-RVFSUOIPSA-N 1 2 286.803 1.912 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](CN2C[C@H](C3CC3)CC2=O)C1 ZINC000853525390 928037818 /nfs/dbraw/zinc/03/78/18/928037818.db2.gz VUJDOZXAYHTPGE-TZMCWYRMSA-N 1 2 261.369 1.828 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](CN2C[C@H](C3CC3)CC2=O)C1 ZINC000853525390 928037832 /nfs/dbraw/zinc/03/78/32/928037832.db2.gz VUJDOZXAYHTPGE-TZMCWYRMSA-N 1 2 261.369 1.828 20 30 CDEDLO Cc1ccc(C(F)(F)N2CC[NH2+]C[C@@H]2C#N)nc1Cl ZINC001156320221 928040981 /nfs/dbraw/zinc/04/09/81/928040981.db2.gz UPCBJINNIGAJHT-VIFPVBQESA-N 1 2 286.713 1.890 20 30 CDEDLO C=C[C@@H](CO)Nc1ccc(C[NH+]2CCOCC2)cc1OC ZINC001169784213 928435982 /nfs/dbraw/zinc/43/59/82/928435982.db2.gz DIKJRAQKYAQZMY-AWEZNQCLSA-N 1 2 292.379 1.486 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCCC)C2 ZINC001109034229 928778921 /nfs/dbraw/zinc/77/89/21/928778921.db2.gz NQUPEDSNQXTBON-AGIUHOORSA-N 1 2 286.803 1.887 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCCC)C2 ZINC001109034229 928778928 /nfs/dbraw/zinc/77/89/28/928778928.db2.gz NQUPEDSNQXTBON-AGIUHOORSA-N 1 2 286.803 1.887 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC ZINC001109769588 929039604 /nfs/dbraw/zinc/03/96/04/929039604.db2.gz KTAMZVRDRCCAEK-AGIUHOORSA-N 1 2 293.411 1.056 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC ZINC001109769588 929039613 /nfs/dbraw/zinc/03/96/13/929039613.db2.gz KTAMZVRDRCCAEK-AGIUHOORSA-N 1 2 293.411 1.056 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccoc2C)CC1 ZINC001112604925 929235710 /nfs/dbraw/zinc/23/57/10/929235710.db2.gz YEPDONPLRRPOGC-UHFFFAOYSA-N 1 2 278.352 1.548 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)CSC(C)C)CC1 ZINC001112625790 929267347 /nfs/dbraw/zinc/26/73/47/929267347.db2.gz DMHIZIMZQCDPQH-UHFFFAOYSA-N 1 2 286.441 1.475 20 30 CDEDLO C=CCOCC(=O)N1CC[NH+](CCOCCC(C)C)CC1 ZINC001112704460 929340989 /nfs/dbraw/zinc/34/09/89/929340989.db2.gz WQQVGCATPSYFQB-UHFFFAOYSA-N 1 2 298.427 1.396 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[NH+](CCOCC2CCC2)CC1 ZINC001112711047 929351782 /nfs/dbraw/zinc/35/17/82/929351782.db2.gz OHDKIJCOYTZUSU-ZDUSSCGKSA-N 1 2 279.384 1.107 20 30 CDEDLO C#CCCCC(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001112809516 929441439 /nfs/dbraw/zinc/44/14/39/929441439.db2.gz JMNWUWQAUWUURW-UHFFFAOYSA-N 1 2 278.396 1.361 20 30 CDEDLO CC[N@H+](Cc1nccs1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152450377 937362923 /nfs/dbraw/zinc/36/29/23/937362923.db2.gz ZVHFQLIHRPACAP-GHMZBOCLSA-N 1 2 280.397 1.629 20 30 CDEDLO CC[N@@H+](Cc1nccs1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152450377 937362926 /nfs/dbraw/zinc/36/29/26/937362926.db2.gz ZVHFQLIHRPACAP-GHMZBOCLSA-N 1 2 280.397 1.629 20 30 CDEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccon1 ZINC001153306725 937438009 /nfs/dbraw/zinc/43/80/09/937438009.db2.gz PLTBZAICZSRRLW-OLZOCXBDSA-N 1 2 293.367 1.040 20 30 CDEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccon1 ZINC001153306725 937438012 /nfs/dbraw/zinc/43/80/12/937438012.db2.gz PLTBZAICZSRRLW-OLZOCXBDSA-N 1 2 293.367 1.040 20 30 CDEDLO CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001153470649 937447435 /nfs/dbraw/zinc/44/74/35/937447435.db2.gz ARSOZPFAIPKOJL-ZJUUUORDSA-N 1 2 282.281 1.737 20 30 CDEDLO CC#CC[N@H+](CC)[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001153470649 937447437 /nfs/dbraw/zinc/44/74/37/937447437.db2.gz ARSOZPFAIPKOJL-ZJUUUORDSA-N 1 2 282.281 1.737 20 30 CDEDLO CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](F)C(F)(F)F ZINC001153470649 937447439 /nfs/dbraw/zinc/44/74/39/937447439.db2.gz ARSOZPFAIPKOJL-ZJUUUORDSA-N 1 2 282.281 1.737 20 30 CDEDLO CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](F)C(F)(F)F ZINC001153470649 937447440 /nfs/dbraw/zinc/44/74/40/937447440.db2.gz ARSOZPFAIPKOJL-ZJUUUORDSA-N 1 2 282.281 1.737 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)[C@@H](O)C1 ZINC001090553482 931092122 /nfs/dbraw/zinc/09/21/22/931092122.db2.gz MYKXIGNQPKRACY-STQMWFEESA-N 1 2 298.814 1.647 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)[C@@H](O)C1 ZINC001090553482 931092129 /nfs/dbraw/zinc/09/21/29/931092129.db2.gz MYKXIGNQPKRACY-STQMWFEESA-N 1 2 298.814 1.647 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)OCCn1cc[nH+]c1 ZINC001116930968 937481634 /nfs/dbraw/zinc/48/16/34/937481634.db2.gz RXPRIOBNMNOMIB-UHFFFAOYSA-N 1 2 255.277 1.920 20 30 CDEDLO CCN(CC#N)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153994620 937489248 /nfs/dbraw/zinc/48/92/48/937489248.db2.gz NLAFUNGJIMDNBV-CYBMUJFWSA-N 1 2 291.399 1.277 20 30 CDEDLO C[N@@H+]1CCC12CN(C(=O)c1cc(F)ccc1C#N)C2 ZINC001275753518 931999845 /nfs/dbraw/zinc/99/98/45/931999845.db2.gz VGYHZURQQTZSBS-UHFFFAOYSA-N 1 2 259.284 1.227 20 30 CDEDLO C[N@H+]1CCC12CN(C(=O)c1cc(F)ccc1C#N)C2 ZINC001275753518 931999849 /nfs/dbraw/zinc/99/98/49/931999849.db2.gz VGYHZURQQTZSBS-UHFFFAOYSA-N 1 2 259.284 1.227 20 30 CDEDLO NC(=O)c1ccc(C(=[NH2+])Nc2ccnc3ccncc32)cc1 ZINC001171253044 932143268 /nfs/dbraw/zinc/14/32/68/932143268.db2.gz FEFUHDVDPKANLZ-UHFFFAOYSA-N 1 2 291.314 1.766 20 30 CDEDLO C=CCOc1ccc(C[N@@H+]2C[C@H]3CN(C)C[C@@H](C2)O3)cc1 ZINC001275957253 932167180 /nfs/dbraw/zinc/16/71/80/932167180.db2.gz VGVMLJCOCFUMHW-CALCHBBNSA-N 1 2 288.391 1.766 20 30 CDEDLO C=CCOc1ccc(C[N@H+]2C[C@H]3CN(C)C[C@@H](C2)O3)cc1 ZINC001275957253 932167182 /nfs/dbraw/zinc/16/71/82/932167182.db2.gz VGVMLJCOCFUMHW-CALCHBBNSA-N 1 2 288.391 1.766 20 30 CDEDLO Cc1nc2cc(NC(=[NH2+])c3ccc(C(N)=O)cc3)cnc2o1 ZINC001171261516 932187616 /nfs/dbraw/zinc/18/76/16/932187616.db2.gz ZZTZGUFDWNVPJS-UHFFFAOYSA-N 1 2 295.302 1.667 20 30 CDEDLO C=CCOc1ccc(C(=O)N(C(N)=[NH2+])c2cc(C)[nH]n2)cc1 ZINC001148470690 932712487 /nfs/dbraw/zinc/71/24/87/932712487.db2.gz UUGIAXDHDXHQMC-UHFFFAOYSA-N 1 2 299.334 1.823 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171365366 932873088 /nfs/dbraw/zinc/87/30/88/932873088.db2.gz IRHDXRDRBRKKSP-CHWSQXEVSA-N 1 2 277.318 1.619 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2nonc2C)C1 ZINC001009036426 935419321 /nfs/dbraw/zinc/41/93/21/935419321.db2.gz FRKNRQGLZNXPKB-LLVKDONJSA-N 1 2 298.774 1.254 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2nonc2C)C1 ZINC001009036426 935419324 /nfs/dbraw/zinc/41/93/24/935419324.db2.gz FRKNRQGLZNXPKB-LLVKDONJSA-N 1 2 298.774 1.254 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CCC(O)CC2)C1 ZINC001010765115 935469859 /nfs/dbraw/zinc/46/98/59/935469859.db2.gz IDQLUURHCXXDQS-CPCZMJQVSA-N 1 2 286.803 1.481 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CCC(O)CC2)C1 ZINC001010765115 935469861 /nfs/dbraw/zinc/46/98/61/935469861.db2.gz IDQLUURHCXXDQS-CPCZMJQVSA-N 1 2 286.803 1.481 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2cn[nH]c21 ZINC001017784804 935648958 /nfs/dbraw/zinc/64/89/58/935648958.db2.gz KTMICERUQCQOTB-OKILXGFUSA-N 1 2 294.358 1.485 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2cn[nH]c21 ZINC001017784804 935648962 /nfs/dbraw/zinc/64/89/62/935648962.db2.gz KTMICERUQCQOTB-OKILXGFUSA-N 1 2 294.358 1.485 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001038671712 935752797 /nfs/dbraw/zinc/75/27/97/935752797.db2.gz WGCKUIJFBJRUMU-VIFPVBQESA-N 1 2 251.717 1.105 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001038671712 935752800 /nfs/dbraw/zinc/75/28/00/935752800.db2.gz WGCKUIJFBJRUMU-VIFPVBQESA-N 1 2 251.717 1.105 20 30 CDEDLO Cc1nc(N[C@@H](CNC(=O)[C@@H](C)C#N)C2CC2)cc[nH+]1 ZINC001096598054 936190593 /nfs/dbraw/zinc/19/05/93/936190593.db2.gz JHIZGUCGPJUHDZ-CABZTGNLSA-N 1 2 273.340 1.251 20 30 CDEDLO C=CCN(c1nnc(Cc2[nH+]ccn2C)n1C)C1CC1 ZINC001121268686 937864631 /nfs/dbraw/zinc/86/46/31/937864631.db2.gz VEODJIHPKLMYRJ-UHFFFAOYSA-N 1 2 272.356 1.294 20 30 CDEDLO C=CCOc1cc(C)nc(NCc2cc[nH+]c(N)c2)n1 ZINC001156757121 938414824 /nfs/dbraw/zinc/41/48/24/938414824.db2.gz NCNPHCVWLAVRTN-UHFFFAOYSA-N 1 2 271.324 1.939 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001156891340 938429720 /nfs/dbraw/zinc/42/97/20/938429720.db2.gz HCAGNZGAYBOFPK-NSHDSACASA-N 1 2 277.368 1.886 20 30 CDEDLO C=C(C)C(=O)OCCNc1[nH+]ccc(C)c1NC(C)=O ZINC001157304650 938478256 /nfs/dbraw/zinc/47/82/56/938478256.db2.gz HWEGVMZIBSJETH-UHFFFAOYSA-N 1 2 277.324 1.880 20 30 CDEDLO COC(=O)C1(C#N)CCN(c2cc(CC#N)cc[nH+]2)CC1 ZINC001158689338 938650834 /nfs/dbraw/zinc/65/08/34/938650834.db2.gz DACYJIISNWEMJP-UHFFFAOYSA-N 1 2 284.319 1.431 20 30 CDEDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc(C2(C#N)CCC2)cn1 ZINC001158702184 938652429 /nfs/dbraw/zinc/65/24/29/938652429.db2.gz OGWWIZXOPJJSNW-AWEZNQCLSA-N 1 2 286.379 1.769 20 30 CDEDLO C[N@H+]1CCOC[C@@H]1CNc1ccc(C2(C#N)CCC2)cn1 ZINC001158702184 938652430 /nfs/dbraw/zinc/65/24/30/938652430.db2.gz OGWWIZXOPJJSNW-AWEZNQCLSA-N 1 2 286.379 1.769 20 30 CDEDLO C#C[C@](C)(CC)Nc1cc(N2CCC[C@@H]2C(N)=O)nc[nH+]1 ZINC001158742347 938658478 /nfs/dbraw/zinc/65/84/78/938658478.db2.gz FAVBHPBTXLFSOI-IAQYHMDHSA-N 1 2 287.367 1.145 20 30 CDEDLO C#C[C@](C)(CC)Nc1cc(N2CCC[C@@H]2C(N)=O)[nH+]cn1 ZINC001158742347 938658479 /nfs/dbraw/zinc/65/84/79/938658479.db2.gz FAVBHPBTXLFSOI-IAQYHMDHSA-N 1 2 287.367 1.145 20 30 CDEDLO CCOC(=O)[C@H](C#N)Nc1[nH+]ccc2c1ccn2C ZINC001159320763 938720973 /nfs/dbraw/zinc/72/09/73/938720973.db2.gz ZXLQBELXCSXYHQ-JTQLQIEISA-N 1 2 258.281 1.440 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2ccccc2CS)C[NH2+]1 ZINC001164312055 939451742 /nfs/dbraw/zinc/45/17/42/939451742.db2.gz LHCINVIYIMCLER-JQWIXIFHSA-N 1 2 266.366 1.432 20 30 CDEDLO N#Cc1c[nH]c2nc(N3CC[NH2+]CC(F)(F)C3)ccc12 ZINC001164493034 939479105 /nfs/dbraw/zinc/47/91/05/939479105.db2.gz LXBDSQWJQYQCGB-UHFFFAOYSA-N 1 2 277.278 1.479 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1c1cc2ccc(F)cc2cn1 ZINC001164660196 939502842 /nfs/dbraw/zinc/50/28/42/939502842.db2.gz BGVQUUKJVPOMBQ-CYBMUJFWSA-N 1 2 256.284 1.676 20 30 CDEDLO N#Cc1cc(C(F)(F)N2CC[NH2+]C[C@H]2C#N)cnc1Cl ZINC001165180291 939520925 /nfs/dbraw/zinc/52/09/25/939520925.db2.gz GRZJDFXUXZLYFP-SNVBAGLBSA-N 1 2 297.696 1.453 20 30 CDEDLO CCOC(=O)CN1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001203755253 939702567 /nfs/dbraw/zinc/70/25/67/939702567.db2.gz MBHRUEYOTHJLJD-UHFFFAOYSA-N 1 2 287.363 1.239 20 30 CDEDLO CNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001204373046 939761465 /nfs/dbraw/zinc/76/14/65/939761465.db2.gz MYQPNAIJHUXRKA-AWEZNQCLSA-N 1 2 272.352 1.452 20 30 CDEDLO CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001204373046 939761468 /nfs/dbraw/zinc/76/14/68/939761468.db2.gz MYQPNAIJHUXRKA-AWEZNQCLSA-N 1 2 272.352 1.452 20 30 CDEDLO COC(=O)CC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001205479256 939892392 /nfs/dbraw/zinc/89/23/92/939892392.db2.gz WOVJOYMICKHHFN-UHFFFAOYSA-N 1 2 262.284 1.692 20 30 CDEDLO N#C[C@@H]1CN(Cc2[nH+]cc3ccccn32)CCC1=O ZINC001207052830 940137552 /nfs/dbraw/zinc/13/75/52/940137552.db2.gz FOWLCXSHHLVANL-LLVKDONJSA-N 1 2 254.293 1.249 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(F)cc(F)c2)CC1 ZINC000189286470 941322936 /nfs/dbraw/zinc/32/29/36/941322936.db2.gz XROVGYYKDHHULU-UHFFFAOYSA-N 1 2 250.292 1.716 20 30 CDEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2O)CCC1 ZINC001220280858 941431931 /nfs/dbraw/zinc/43/19/31/941431931.db2.gz WTFGMHWYFUUSCC-FTBGMHHGSA-N 1 2 298.814 1.647 20 30 CDEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]2O)CCC1 ZINC001220280858 941431932 /nfs/dbraw/zinc/43/19/32/941431932.db2.gz WTFGMHWYFUUSCC-FTBGMHHGSA-N 1 2 298.814 1.647 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001220437065 941446954 /nfs/dbraw/zinc/44/69/54/941446954.db2.gz SLXODRQWFFFIPD-BAEOLTKYSA-N 1 2 286.803 1.503 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001220437065 941446957 /nfs/dbraw/zinc/44/69/57/941446957.db2.gz SLXODRQWFFFIPD-BAEOLTKYSA-N 1 2 286.803 1.503 20 30 CDEDLO C#C[C@@H](C)OCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001224729184 941786772 /nfs/dbraw/zinc/78/67/72/941786772.db2.gz CFVUSCVEKBSFCG-CYBMUJFWSA-N 1 2 282.384 1.577 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(C#N)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225247714 941833103 /nfs/dbraw/zinc/83/31/03/941833103.db2.gz TTYVJAGTQMQKAZ-ABWMFPBJSA-N 1 2 256.305 1.549 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(C#N)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225247714 941833108 /nfs/dbraw/zinc/83/31/08/941833108.db2.gz TTYVJAGTQMQKAZ-ABWMFPBJSA-N 1 2 256.305 1.549 20 30 CDEDLO C=CCOCC(=O)NC1CC[NH+](Cc2nocc2C)CC1 ZINC001226598638 942033173 /nfs/dbraw/zinc/03/31/73/942033173.db2.gz JGGKUYVZYDOBOI-UHFFFAOYSA-N 1 2 293.367 1.266 20 30 CDEDLO Cc1nc(C[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)oc1C ZINC001226617583 942035554 /nfs/dbraw/zinc/03/55/54/942035554.db2.gz KEWAQGOJCMXOTP-SNVBAGLBSA-N 1 2 290.367 1.532 20 30 CDEDLO CCn1ccnc1C[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001226618121 942036697 /nfs/dbraw/zinc/03/66/97/942036697.db2.gz XDBUZPCLMFAFAB-GFCCVEGCSA-N 1 2 289.383 1.143 20 30 CDEDLO CC(=O)c1cc(C#N)ccc1O[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@@H+]2C ZINC001226975797 942105181 /nfs/dbraw/zinc/10/51/81/942105181.db2.gz UQCNRFOXBJIHJX-MJEQTWJJSA-N 1 2 298.342 1.944 20 30 CDEDLO CC(=O)c1cc(C#N)ccc1O[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001226975797 942105182 /nfs/dbraw/zinc/10/51/82/942105182.db2.gz UQCNRFOXBJIHJX-MJEQTWJJSA-N 1 2 298.342 1.944 20 30 CDEDLO CC[NH+]1CC(Oc2ncnc3ccc(C#N)cc32)C1 ZINC001229101947 942418862 /nfs/dbraw/zinc/41/88/62/942418862.db2.gz BAHZTTFFMXYRDK-UHFFFAOYSA-N 1 2 254.293 1.584 20 30 CDEDLO Cc1ncnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1Cl ZINC001230022017 942572077 /nfs/dbraw/zinc/57/20/77/942572077.db2.gz KEADVWNHHGDQEE-ADAFDVPTSA-N 1 2 281.743 1.430 20 30 CDEDLO Cc1ncnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1Cl ZINC001230022017 942572082 /nfs/dbraw/zinc/57/20/82/942572082.db2.gz KEADVWNHHGDQEE-ADAFDVPTSA-N 1 2 281.743 1.430 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CCOC)C1 ZINC001282681432 942739827 /nfs/dbraw/zinc/73/98/27/942739827.db2.gz HYQCVMLAWKTDCS-JTQLQIEISA-N 1 2 260.765 1.212 20 30 CDEDLO C=C(Br)C[N@H+](C)CCCNC(=O)C(F)F ZINC001231017883 942758912 /nfs/dbraw/zinc/75/89/12/942758912.db2.gz KXRFEANGAIYARG-UHFFFAOYSA-N 1 2 285.132 1.598 20 30 CDEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)C(F)F ZINC001231017883 942758915 /nfs/dbraw/zinc/75/89/15/942758915.db2.gz KXRFEANGAIYARG-UHFFFAOYSA-N 1 2 285.132 1.598 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Oc1ncnc2c(C#N)cccc12 ZINC001231029241 942761114 /nfs/dbraw/zinc/76/11/14/942761114.db2.gz AKZYNZVBLIIXGY-LBPRGKRZSA-N 1 2 298.346 1.601 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cncs1 ZINC001231241406 942828284 /nfs/dbraw/zinc/82/82/84/942828284.db2.gz UYXAEHKMCTYHNM-GFCCVEGCSA-N 1 2 295.408 1.378 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cncs1 ZINC001231241406 942828289 /nfs/dbraw/zinc/82/82/89/942828289.db2.gz UYXAEHKMCTYHNM-GFCCVEGCSA-N 1 2 295.408 1.378 20 30 CDEDLO CCc1nocc1C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231248100 942834142 /nfs/dbraw/zinc/83/41/42/942834142.db2.gz UOIZYIHWRSZSBI-DGCLKSJQSA-N 1 2 290.367 1.429 20 30 CDEDLO CCc1nocc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231248100 942834138 /nfs/dbraw/zinc/83/41/38/942834138.db2.gz UOIZYIHWRSZSBI-DGCLKSJQSA-N 1 2 290.367 1.429 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](F)C[C@H](CO)C1 ZINC001231617153 942945630 /nfs/dbraw/zinc/94/56/30/942945630.db2.gz YWVOEEFTUXRLAH-JSGCOSHPSA-N 1 2 278.327 1.719 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](F)C[C@H](CO)C1 ZINC001231617153 942945633 /nfs/dbraw/zinc/94/56/33/942945633.db2.gz YWVOEEFTUXRLAH-JSGCOSHPSA-N 1 2 278.327 1.719 20 30 CDEDLO C#CCN1CC[NH+](Cc2cnc(-c3cccnc3)o2)CC1 ZINC001232133664 943145842 /nfs/dbraw/zinc/14/58/42/943145842.db2.gz IYGCRTJYDVKIBS-UHFFFAOYSA-N 1 2 282.347 1.487 20 30 CDEDLO C=CC[N@@H+](C)Cc1n[nH]c2cccc(C(=O)OC)c21 ZINC001232437969 943274780 /nfs/dbraw/zinc/27/47/80/943274780.db2.gz COJVKJDFUWXYSK-UHFFFAOYSA-N 1 2 259.309 1.967 20 30 CDEDLO C=CC[N@H+](C)Cc1n[nH]c2cccc(C(=O)OC)c21 ZINC001232437969 943274788 /nfs/dbraw/zinc/27/47/88/943274788.db2.gz COJVKJDFUWXYSK-UHFFFAOYSA-N 1 2 259.309 1.967 20 30 CDEDLO N#Cc1ccnc(CN2CC[NH+](Cc3cccnc3)CC2)c1 ZINC001232474351 943289319 /nfs/dbraw/zinc/28/93/19/943289319.db2.gz BBOVONWGKFXJRG-UHFFFAOYSA-N 1 2 293.374 1.666 20 30 CDEDLO CCOC(=O)C1(F)CC[NH+](Cc2cc(C#N)ccn2)CC1 ZINC001232481118 943294344 /nfs/dbraw/zinc/29/43/44/943294344.db2.gz VNRJNHBPISELNL-UHFFFAOYSA-N 1 2 291.326 1.820 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2Cc3ccnn3CC[C@H]2CO)c1 ZINC001232678068 943359594 /nfs/dbraw/zinc/35/95/94/943359594.db2.gz PEOMNYDEEBOPKS-HNNXBMFYSA-N 1 2 298.346 1.227 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2Cc3ccnn3CC[C@H]2CO)c1 ZINC001232678068 943359600 /nfs/dbraw/zinc/35/96/00/943359600.db2.gz PEOMNYDEEBOPKS-HNNXBMFYSA-N 1 2 298.346 1.227 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3cnccn3)C2)c1 ZINC001232681543 943362411 /nfs/dbraw/zinc/36/24/11/943362411.db2.gz PWJSNLBNRIIMAN-CQSZACIVSA-N 1 2 296.330 1.707 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H](Oc3cnccn3)C2)c1 ZINC001232681543 943362416 /nfs/dbraw/zinc/36/24/16/943362416.db2.gz PWJSNLBNRIIMAN-CQSZACIVSA-N 1 2 296.330 1.707 20 30 CDEDLO CCOC(=O)C[N@H+](CC)Cc1ccc(C#N)cc1O ZINC001233387750 943572615 /nfs/dbraw/zinc/57/26/15/943572615.db2.gz WUZXHCHYLDHCNS-UHFFFAOYSA-N 1 2 262.309 1.649 20 30 CDEDLO CCOC(=O)C[N@@H+](CC)Cc1ccc(C#N)cc1O ZINC001233387750 943572617 /nfs/dbraw/zinc/57/26/17/943572617.db2.gz WUZXHCHYLDHCNS-UHFFFAOYSA-N 1 2 262.309 1.649 20 30 CDEDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccc(C#N)cc1O ZINC001233387860 943573551 /nfs/dbraw/zinc/57/35/51/943573551.db2.gz BJGAFWBOWALEMW-ZLDLUXBVSA-N 1 2 286.331 1.790 20 30 CDEDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1ccc(C#N)cc1O ZINC001233387860 943573554 /nfs/dbraw/zinc/57/35/54/943573554.db2.gz BJGAFWBOWALEMW-ZLDLUXBVSA-N 1 2 286.331 1.790 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccnn1C ZINC001233966465 943703601 /nfs/dbraw/zinc/70/36/01/943703601.db2.gz MHJRVWVWULZXOG-HNNXBMFYSA-N 1 2 288.395 1.256 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccnn1C ZINC001233966465 943703604 /nfs/dbraw/zinc/70/36/04/943703604.db2.gz MHJRVWVWULZXOG-HNNXBMFYSA-N 1 2 288.395 1.256 20 30 CDEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cccnc1 ZINC001234121295 943746266 /nfs/dbraw/zinc/74/62/66/943746266.db2.gz YSSDJJIDTQNIQX-MRXNPFEDSA-N 1 2 285.391 1.774 20 30 CDEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cccnc1 ZINC001234121295 943746272 /nfs/dbraw/zinc/74/62/72/943746272.db2.gz YSSDJJIDTQNIQX-MRXNPFEDSA-N 1 2 285.391 1.774 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C(C)C ZINC001234544764 943886825 /nfs/dbraw/zinc/88/68/25/943886825.db2.gz CYQLJMOWCPLUIW-ZDUSSCGKSA-N 1 2 250.386 1.835 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C(C)C ZINC001234544764 943886837 /nfs/dbraw/zinc/88/68/37/943886837.db2.gz CYQLJMOWCPLUIW-ZDUSSCGKSA-N 1 2 250.386 1.835 20 30 CDEDLO CC1=CCC=C[C@H]1C(=O)N1C[C@H]2C[C@@H](C1)[N@H+](CCC#N)C2 ZINC001277936859 944119961 /nfs/dbraw/zinc/11/99/61/944119961.db2.gz RXMNYUDYFRJEMG-HRCADAONSA-N 1 2 285.391 1.955 20 30 CDEDLO CC1=CCC=C[C@H]1C(=O)N1C[C@H]2C[C@@H](C1)[N@@H+](CCC#N)C2 ZINC001277936859 944119965 /nfs/dbraw/zinc/11/99/65/944119965.db2.gz RXMNYUDYFRJEMG-HRCADAONSA-N 1 2 285.391 1.955 20 30 CDEDLO CC(C)NC(=O)N1CC[C@]2(C1)CCC[N@H+](CCC#N)C2 ZINC001277941646 944139059 /nfs/dbraw/zinc/13/90/59/944139059.db2.gz SSXRPFWYMACBIT-OAHLLOKOSA-N 1 2 278.400 1.806 20 30 CDEDLO CC(C)NC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC#N)C2 ZINC001277941646 944139062 /nfs/dbraw/zinc/13/90/62/944139062.db2.gz SSXRPFWYMACBIT-OAHLLOKOSA-N 1 2 278.400 1.806 20 30 CDEDLO C[N@H+](C1COC1)C1CN(Cc2c(F)cc(C#N)cc2F)C1 ZINC001235658713 944235790 /nfs/dbraw/zinc/23/57/90/944235790.db2.gz RVAVZFHLBSTQPO-UHFFFAOYSA-N 1 2 293.317 1.351 20 30 CDEDLO C[N@@H+](C1COC1)C1CN(Cc2c(F)cc(C#N)cc2F)C1 ZINC001235658713 944235796 /nfs/dbraw/zinc/23/57/96/944235796.db2.gz RVAVZFHLBSTQPO-UHFFFAOYSA-N 1 2 293.317 1.351 20 30 CDEDLO C[C@@H]1C[NH+](C2CN(Cc3ccnc(C#N)c3)C2)C[C@@H](C)O1 ZINC001237461784 944796076 /nfs/dbraw/zinc/79/60/76/944796076.db2.gz FCLDVUIXTRCITO-CHWSQXEVSA-N 1 2 286.379 1.247 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001255172365 947763874 /nfs/dbraw/zinc/76/38/74/947763874.db2.gz OCVXSVAHBFMKPI-KBPBESRZSA-N 1 2 279.384 1.392 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001255172365 947763881 /nfs/dbraw/zinc/76/38/81/947763881.db2.gz OCVXSVAHBFMKPI-KBPBESRZSA-N 1 2 279.384 1.392 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)NC1(C#N)CCSCC1 ZINC001256345578 948283616 /nfs/dbraw/zinc/28/36/16/948283616.db2.gz BWOQAIMBHJJXSK-UHFFFAOYSA-N 1 2 278.381 1.258 20 30 CDEDLO COc1cccc2c1CC[C@@H](N1CC[NH2+]C[C@@H]1C#N)C2 ZINC001256647677 948382004 /nfs/dbraw/zinc/38/20/04/948382004.db2.gz UMJFBSXACAIOPZ-KGLIPLIRSA-N 1 2 271.364 1.350 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+]C1CCC2(COC2)CC1 ZINC001257896223 948657481 /nfs/dbraw/zinc/65/74/81/948657481.db2.gz KZLQFSAGIFRALL-NSHDSACASA-N 1 2 273.398 1.397 20 30 CDEDLO C=CCCCNC(=S)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001247696676 948708916 /nfs/dbraw/zinc/70/89/16/948708916.db2.gz BHAPNHGSXVKCET-ZDUSSCGKSA-N 1 2 283.441 1.234 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc3c(c(OC)c2)OCC=C3)CC1 ZINC001250511108 950233963 /nfs/dbraw/zinc/23/39/63/950233963.db2.gz AXPKARKJGXRKOB-UHFFFAOYSA-N 1 2 298.386 1.852 20 30 CDEDLO C#CCN1CC[NH+](Cc2cc3c(c(OC)c2)OCC=C3)CC1 ZINC001250511108 950233981 /nfs/dbraw/zinc/23/39/81/950233981.db2.gz AXPKARKJGXRKOB-UHFFFAOYSA-N 1 2 298.386 1.852 20 30 CDEDLO Cc1cc(C#N)c(NC[C@H](O)C[NH+]2CCOCC2)cc1F ZINC001251033389 950571178 /nfs/dbraw/zinc/57/11/78/950571178.db2.gz KAYZMGBHCKUYBM-ZDUSSCGKSA-N 1 2 293.342 1.111 20 30 CDEDLO C=CCOC[C@@H](O)C[NH2+]C1(C(=O)OCC)CCCCC1 ZINC001252490406 951361352 /nfs/dbraw/zinc/36/13/52/951361352.db2.gz HKJOGEIIBOZTTF-ZDUSSCGKSA-N 1 2 285.384 1.406 20 30 CDEDLO C=C[C@](C)(O)C[N@@H+]1CCN(c2ccc(F)cc2)C(=O)C1 ZINC001252556672 951449907 /nfs/dbraw/zinc/44/99/07/951449907.db2.gz FQGXHCHQBHATSA-HNNXBMFYSA-N 1 2 278.327 1.411 20 30 CDEDLO C=C[C@](C)(O)C[N@H+]1CCN(c2ccc(F)cc2)C(=O)C1 ZINC001252556672 951449912 /nfs/dbraw/zinc/44/99/12/951449912.db2.gz FQGXHCHQBHATSA-HNNXBMFYSA-N 1 2 278.327 1.411 20 30 CDEDLO C#CC[N@H+](C)CCC[NH2+]Cc1cc(C)c(C(=O)[O-])o1 ZINC000381348674 971756125 /nfs/dbraw/zinc/75/61/25/971756125.db2.gz DRQTYNXKQBBTEG-UHFFFAOYSA-N 1 2 264.325 1.331 20 30 CDEDLO C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C)c(C(=O)[O-])o1 ZINC000381348674 971756130 /nfs/dbraw/zinc/75/61/30/971756130.db2.gz DRQTYNXKQBBTEG-UHFFFAOYSA-N 1 2 264.325 1.331 20 30 CDEDLO COc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C#N)C2)cc1 ZINC001252719006 951612355 /nfs/dbraw/zinc/61/23/55/951612355.db2.gz TVMSQJQIGWUAEE-STQMWFEESA-N 1 2 276.336 1.280 20 30 CDEDLO COc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](C#N)C2)cc1 ZINC001252719006 951612362 /nfs/dbraw/zinc/61/23/62/951612362.db2.gz TVMSQJQIGWUAEE-STQMWFEESA-N 1 2 276.336 1.280 20 30 CDEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+]C[C@H](O)CCC ZINC001252800843 951648673 /nfs/dbraw/zinc/64/86/73/951648673.db2.gz QAWDSXSLCJIFME-OLZOCXBDSA-N 1 2 257.374 1.881 20 30 CDEDLO C=C[C@@H](O)CNc1cc[nH+]c2c(C(=O)OC)cccc12 ZINC001253575103 951961704 /nfs/dbraw/zinc/96/17/04/951961704.db2.gz ZFAWVGGQMCXKLM-SNVBAGLBSA-N 1 2 272.304 1.980 20 30 CDEDLO COCC#CC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001328726150 955444647 /nfs/dbraw/zinc/44/46/47/955444647.db2.gz IZYCLNBOQVHLMA-LBPRGKRZSA-N 1 2 263.341 1.064 20 30 CDEDLO C[C@@H]([NH2+]Cc1cc(C#N)ccn1)c1nnc2ccccn21 ZINC001307660902 956427985 /nfs/dbraw/zinc/42/79/85/956427985.db2.gz MBOZZIRCXWXSIX-LLVKDONJSA-N 1 2 278.319 1.847 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccnc(C)n1 ZINC001366638068 957068201 /nfs/dbraw/zinc/06/82/01/957068201.db2.gz GXLIEMBXJXRNJK-UHFFFAOYSA-N 1 2 282.775 1.589 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccnc(C)n1 ZINC001366638068 957068215 /nfs/dbraw/zinc/06/82/15/957068215.db2.gz GXLIEMBXJXRNJK-UHFFFAOYSA-N 1 2 282.775 1.589 20 30 CDEDLO C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)c1ccc2[nH]nnc2c1 ZINC001367713906 958242397 /nfs/dbraw/zinc/24/23/97/958242397.db2.gz YQHUAPROZZKVMO-SECBINFHSA-N 1 2 293.758 1.418 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2ncc[nH]2)C1 ZINC001369097425 959457229 /nfs/dbraw/zinc/45/72/29/959457229.db2.gz ITHAILKRKCWYTG-SNVBAGLBSA-N 1 2 282.775 1.141 20 30 CDEDLO C=CCN(C(=O)C(=O)NCc1ccn2cc[nH+]c2c1)C1CC1 ZINC001323688291 960913790 /nfs/dbraw/zinc/91/37/90/960913790.db2.gz RBKXWTNMDOQBHA-UHFFFAOYSA-N 1 2 298.346 1.128 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C[C@@H]1CCCOC1 ZINC001437643460 963084574 /nfs/dbraw/zinc/08/45/74/963084574.db2.gz XVSUFTBIUYGXCM-ZDUSSCGKSA-N 1 2 288.819 1.994 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C[C@@H]1CCCOC1 ZINC001437643460 963084586 /nfs/dbraw/zinc/08/45/86/963084586.db2.gz XVSUFTBIUYGXCM-ZDUSSCGKSA-N 1 2 288.819 1.994 20 30 CDEDLO C=CCC[C@@H]1CCCN1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001341496665 963437547 /nfs/dbraw/zinc/43/75/47/963437547.db2.gz LZZZPEOMDMOUSA-LSDHHAIUSA-N 1 2 295.427 1.847 20 30 CDEDLO C=CCC[C@@H]1CCCN1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001341496665 963437551 /nfs/dbraw/zinc/43/75/51/963437551.db2.gz LZZZPEOMDMOUSA-LSDHHAIUSA-N 1 2 295.427 1.847 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCn2cncn2)C1 ZINC001441016028 964331499 /nfs/dbraw/zinc/33/14/99/964331499.db2.gz XEPRGBLWLROTFA-GFCCVEGCSA-N 1 2 297.790 1.001 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCn2cncn2)C1 ZINC001441016028 964331511 /nfs/dbraw/zinc/33/15/11/964331511.db2.gz XEPRGBLWLROTFA-GFCCVEGCSA-N 1 2 297.790 1.001 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cc1ccn(C(C)C)n1 ZINC001442478500 965080023 /nfs/dbraw/zinc/08/00/23/965080023.db2.gz BIAWBZFGTUONHQ-UHFFFAOYSA-N 1 2 298.818 1.807 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cc1ccn(C(C)C)n1 ZINC001442478500 965080029 /nfs/dbraw/zinc/08/00/29/965080029.db2.gz BIAWBZFGTUONHQ-UHFFFAOYSA-N 1 2 298.818 1.807 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C1(COC)CC1 ZINC001445750619 966318689 /nfs/dbraw/zinc/31/86/89/966318689.db2.gz FRZSZNAEVFSKFV-LLVKDONJSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C1(COC)CC1 ZINC001445750619 966318694 /nfs/dbraw/zinc/31/86/94/966318694.db2.gz FRZSZNAEVFSKFV-LLVKDONJSA-N 1 2 274.792 1.602 20 30 CDEDLO N#CCc1ccnc(NC(=O)NCCn2cc[nH+]c2)c1 ZINC001467115612 970024337 /nfs/dbraw/zinc/02/43/37/970024337.db2.gz TZEPFORZQSRDDH-UHFFFAOYSA-N 1 2 270.296 1.166 20 30 CDEDLO C=CCONC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001519397151 970079504 /nfs/dbraw/zinc/07/95/04/970079504.db2.gz ORBSGJCHXHRKPR-UHFFFAOYSA-N 1 2 264.329 1.427 20 30 CDEDLO N#Cc1c(F)cc(C(=O)NCCn2cc[nH+]c2)cc1F ZINC001361919601 970674911 /nfs/dbraw/zinc/67/49/11/970674911.db2.gz WMTGMHVVZJQGHG-UHFFFAOYSA-N 1 2 276.246 1.463 20 30 CDEDLO C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)C(F)C(F)(F)F ZINC001495668009 972587188 /nfs/dbraw/zinc/58/71/88/972587188.db2.gz LFUXSVSVLCMJLK-HTRCEHHLSA-N 1 2 290.688 1.981 20 30 CDEDLO C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001495668009 972587191 /nfs/dbraw/zinc/58/71/91/972587191.db2.gz LFUXSVSVLCMJLK-HTRCEHHLSA-N 1 2 290.688 1.981 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1nccc(C)n1 ZINC001372685337 973081717 /nfs/dbraw/zinc/08/17/17/973081717.db2.gz URXRIOWATMGZLG-GFCCVEGCSA-N 1 2 289.383 1.273 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1nccc(C)n1 ZINC001372685337 973081727 /nfs/dbraw/zinc/08/17/27/973081727.db2.gz URXRIOWATMGZLG-GFCCVEGCSA-N 1 2 289.383 1.273 20 30 CDEDLO C=C(Cl)CN1CC(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001373463416 973452477 /nfs/dbraw/zinc/45/24/77/973452477.db2.gz RORJZFXNMACDET-SECBINFHSA-N 1 2 282.775 1.141 20 30 CDEDLO C=C(Cl)CN1CC(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001373463416 973452483 /nfs/dbraw/zinc/45/24/83/973452483.db2.gz RORJZFXNMACDET-SECBINFHSA-N 1 2 282.775 1.141 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](C)Oc1ccccn1 ZINC001418512433 973917736 /nfs/dbraw/zinc/91/77/36/973917736.db2.gz NMQBRTQECLQYJY-GFCCVEGCSA-N 1 2 297.786 1.649 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](C)Oc1ccccn1 ZINC001418512433 973917746 /nfs/dbraw/zinc/91/77/46/973917746.db2.gz NMQBRTQECLQYJY-GFCCVEGCSA-N 1 2 297.786 1.649 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1nc(C)cc1C ZINC001375068841 974249672 /nfs/dbraw/zinc/24/96/72/974249672.db2.gz DDNQOHFFCFYYSK-GFCCVEGCSA-N 1 2 298.818 1.689 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cn1nc(C)cc1C ZINC001375068841 974249675 /nfs/dbraw/zinc/24/96/75/974249675.db2.gz DDNQOHFFCFYYSK-GFCCVEGCSA-N 1 2 298.818 1.689 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)Cc2ccn(C)n2)C1 ZINC001375824181 974490182 /nfs/dbraw/zinc/49/01/82/974490182.db2.gz MJEVTHMKNXDERO-AWEZNQCLSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)Cc2ccn(C)n2)C1 ZINC001375824181 974490185 /nfs/dbraw/zinc/49/01/85/974490185.db2.gz MJEVTHMKNXDERO-AWEZNQCLSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(CC)nnc1C ZINC001377195308 974921992 /nfs/dbraw/zinc/92/19/92/974921992.db2.gz FIDPCHXFXPITKJ-UHFFFAOYSA-N 1 2 296.802 1.762 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(CC)nnc1C ZINC001377195308 974921994 /nfs/dbraw/zinc/92/19/94/974921994.db2.gz FIDPCHXFXPITKJ-UHFFFAOYSA-N 1 2 296.802 1.762 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CC[C@@H]2CCOC2)C1 ZINC001404863359 975516458 /nfs/dbraw/zinc/51/64/58/975516458.db2.gz HUMOHKVWDJXBMC-GFCCVEGCSA-N 1 2 286.803 1.604 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1coc(C(N)=O)c1 ZINC001379719023 976028885 /nfs/dbraw/zinc/02/88/85/976028885.db2.gz XZVSEVLRYOFVKB-SECBINFHSA-N 1 2 299.758 1.181 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1coc(C(N)=O)c1 ZINC001379719023 976028901 /nfs/dbraw/zinc/02/89/01/976028901.db2.gz XZVSEVLRYOFVKB-SECBINFHSA-N 1 2 299.758 1.181 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)COCC ZINC001402718484 976452367 /nfs/dbraw/zinc/45/23/67/976452367.db2.gz SNASXDCJLRGHCY-GFCCVEGCSA-N 1 2 274.792 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)COCC ZINC001402718484 976452374 /nfs/dbraw/zinc/45/23/74/976452374.db2.gz SNASXDCJLRGHCY-GFCCVEGCSA-N 1 2 274.792 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cnsn1 ZINC001403114727 976730039 /nfs/dbraw/zinc/73/00/39/976730039.db2.gz XKADNMFYRGUECA-MRVPVSSYSA-N 1 2 274.777 1.341 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cnsn1 ZINC001403114727 976730045 /nfs/dbraw/zinc/73/00/45/976730045.db2.gz XKADNMFYRGUECA-MRVPVSSYSA-N 1 2 274.777 1.341 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCc1cnn(C)c1 ZINC001381618049 976952193 /nfs/dbraw/zinc/95/21/93/976952193.db2.gz LOTOOTRWHXTJLB-LBPRGKRZSA-N 1 2 298.818 1.542 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCc1cnn(C)c1 ZINC001381618049 976952204 /nfs/dbraw/zinc/95/22/04/976952204.db2.gz LOTOOTRWHXTJLB-LBPRGKRZSA-N 1 2 298.818 1.542 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001132565692 1163374681 /nfs/dbraw/zinc/37/46/81/1163374681.db2.gz YHTFWVNKXBLMII-WDEREUQCSA-N 1 2 292.383 1.611 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H](O)C1 ZINC001090506852 1163609811 /nfs/dbraw/zinc/60/98/11/1163609811.db2.gz LWQVSPMZRGJVJI-ZSLBOAEBSA-N 1 2 298.814 1.336 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H](O)C1 ZINC001090506852 1163609818 /nfs/dbraw/zinc/60/98/18/1163609818.db2.gz LWQVSPMZRGJVJI-ZSLBOAEBSA-N 1 2 298.814 1.336 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001133378546 1163662725 /nfs/dbraw/zinc/66/27/25/1163662725.db2.gz GSIPGCOYYZMLGO-OAHLLOKOSA-N 1 2 292.383 1.755 20 30 CDEDLO C=CCc1cc(OC)ccc1OC(=O)[C@@H]1C[C@@H](OC)C[NH2+]1 ZINC001573310968 1170192863 /nfs/dbraw/zinc/19/28/63/1170192863.db2.gz SUBTWTDUMDLNSE-KGLIPLIRSA-N 1 2 291.347 1.706 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000589826942 342514855 /nfs/dbraw/zinc/51/48/55/342514855.db2.gz IBBOIKYPQQCFQT-INIZCTEOSA-N 1 2 298.346 1.514 20 30 CDEDLO N#C[C@]1(F)CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000619445373 342515056 /nfs/dbraw/zinc/51/50/56/342515056.db2.gz WZNCEOJLOYRGMB-UKRRQHHQSA-N 1 2 295.358 1.094 20 30 CDEDLO N#C[C@]1(F)CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000619445373 342515057 /nfs/dbraw/zinc/51/50/57/342515057.db2.gz WZNCEOJLOYRGMB-UKRRQHHQSA-N 1 2 295.358 1.094 20 30 CDEDLO N#CCCCCS(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609465284 342571452 /nfs/dbraw/zinc/57/14/52/342571452.db2.gz JZEWPLTZKHTWGJ-CYBMUJFWSA-N 1 2 296.396 1.544 20 30 CDEDLO N#Cc1cc(CN2CCn3c[nH+]cc3C2)ccc1F ZINC000590599025 342579708 /nfs/dbraw/zinc/57/97/08/342579708.db2.gz DFQARZIAVJJOTK-UHFFFAOYSA-N 1 2 256.284 1.910 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000590625915 342580118 /nfs/dbraw/zinc/58/01/18/342580118.db2.gz RHFGOJNEUMEVEY-UHFFFAOYSA-N 1 2 294.358 1.940 20 30 CDEDLO C=CCN(CC=C)C(=O)CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000364720521 342581367 /nfs/dbraw/zinc/58/13/67/342581367.db2.gz DHIKBMTWNNLAQP-ZDUSSCGKSA-N 1 2 274.368 1.747 20 30 CDEDLO C=CCCCC[N@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000590714164 342585499 /nfs/dbraw/zinc/58/54/99/342585499.db2.gz JMPDCCGCEYQHHL-OLZOCXBDSA-N 1 2 283.368 1.769 20 30 CDEDLO C=CCCCC[N@@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000590714164 342585500 /nfs/dbraw/zinc/58/55/00/342585500.db2.gz JMPDCCGCEYQHHL-OLZOCXBDSA-N 1 2 283.368 1.769 20 30 CDEDLO C[C@H]1C[C@H](NC(=O)c2cc(O)cc(C#N)c2)c2[nH+]ccn21 ZINC000590875705 342602551 /nfs/dbraw/zinc/60/25/51/342602551.db2.gz FAFUDAWVOWSIAH-ZANVPECISA-N 1 2 282.303 1.896 20 30 CDEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000351632938 361825321 /nfs/dbraw/zinc/82/53/21/361825321.db2.gz LHEXBQNMCFEGGH-CHWSQXEVSA-N 1 2 265.357 1.002 20 30 CDEDLO CC[N@@H+](CC(=O)NCc1cccs1)C[C@H](C)C#N ZINC000198418416 342624098 /nfs/dbraw/zinc/62/40/98/342624098.db2.gz VXXVJCPODPAYIH-LLVKDONJSA-N 1 2 265.382 1.846 20 30 CDEDLO CC[N@H+](CC(=O)NCc1cccs1)C[C@H](C)C#N ZINC000198418416 342624099 /nfs/dbraw/zinc/62/40/99/342624099.db2.gz VXXVJCPODPAYIH-LLVKDONJSA-N 1 2 265.382 1.846 20 30 CDEDLO C[C@@H](C#N)C[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000591734770 342644880 /nfs/dbraw/zinc/64/48/80/342644880.db2.gz BCLIYWQPNVCVLZ-JTQLQIEISA-N 1 2 270.329 1.349 20 30 CDEDLO N#Cc1nc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[nH]c1C#N ZINC000592259115 342683506 /nfs/dbraw/zinc/68/35/06/342683506.db2.gz DLXICYZCTXMEJY-PBINXNQUSA-N 1 2 284.323 1.012 20 30 CDEDLO C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148651 342668442 /nfs/dbraw/zinc/66/84/42/342668442.db2.gz YLHVNXAZXRZYOI-DYVFJYSZSA-N 1 2 299.374 1.315 20 30 CDEDLO C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148651 342668443 /nfs/dbraw/zinc/66/84/43/342668443.db2.gz YLHVNXAZXRZYOI-DYVFJYSZSA-N 1 2 299.374 1.315 20 30 CDEDLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150170 342668490 /nfs/dbraw/zinc/66/84/90/342668490.db2.gz BKTZYWWAYAGNOB-RISCZKNCSA-N 1 2 268.357 1.457 20 30 CDEDLO CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150170 342668491 /nfs/dbraw/zinc/66/84/91/342668491.db2.gz BKTZYWWAYAGNOB-RISCZKNCSA-N 1 2 268.357 1.457 20 30 CDEDLO Cc1nnc([C@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)s1 ZINC000592150832 342668760 /nfs/dbraw/zinc/66/87/60/342668760.db2.gz HKMHZRNJBMDZMH-KWQFWETISA-N 1 2 252.343 1.258 20 30 CDEDLO Cc1nnc([C@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)s1 ZINC000592150832 342668761 /nfs/dbraw/zinc/66/87/61/342668761.db2.gz HKMHZRNJBMDZMH-KWQFWETISA-N 1 2 252.343 1.258 20 30 CDEDLO COc1cc(C)nc(C[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592152269 342669347 /nfs/dbraw/zinc/66/93/47/342669347.db2.gz WTYDYELMWGOACK-AWEZNQCLSA-N 1 2 261.325 1.249 20 30 CDEDLO COc1cc(C)nc(C[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592152269 342669348 /nfs/dbraw/zinc/66/93/48/342669348.db2.gz WTYDYELMWGOACK-AWEZNQCLSA-N 1 2 261.325 1.249 20 30 CDEDLO Cc1cccc2[nH+]c(CCNC(=O)C(C)(C)C#N)cn21 ZINC000592745519 342721018 /nfs/dbraw/zinc/72/10/18/342721018.db2.gz HOJRVXBVYMUORY-UHFFFAOYSA-N 1 2 270.336 1.851 20 30 CDEDLO CC[C@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)[C@@H](CC)CO1 ZINC000593059683 342760740 /nfs/dbraw/zinc/76/07/40/342760740.db2.gz SGTUPPMNQIUTBJ-STQMWFEESA-N 1 2 279.384 1.438 20 30 CDEDLO CC[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)[C@@H](CC)CO1 ZINC000593059683 342760741 /nfs/dbraw/zinc/76/07/41/342760741.db2.gz SGTUPPMNQIUTBJ-STQMWFEESA-N 1 2 279.384 1.438 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)[C@H](C)CO1 ZINC000593061092 342761142 /nfs/dbraw/zinc/76/11/42/342761142.db2.gz HOSOIBUTFPTIBB-BFHYXJOUSA-N 1 2 281.400 1.494 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)[C@H](C)CO1 ZINC000593061092 342761143 /nfs/dbraw/zinc/76/11/43/342761143.db2.gz HOSOIBUTFPTIBB-BFHYXJOUSA-N 1 2 281.400 1.494 20 30 CDEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](O)C2)c1C#N ZINC000593115804 342770371 /nfs/dbraw/zinc/77/03/71/342770371.db2.gz JDZTWMDHBUOCPT-GFCCVEGCSA-N 1 2 274.320 1.302 20 30 CDEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H](O)C2)c1C#N ZINC000593115804 342770372 /nfs/dbraw/zinc/77/03/72/342770372.db2.gz JDZTWMDHBUOCPT-GFCCVEGCSA-N 1 2 274.320 1.302 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CCCC1(C)C ZINC000593155001 342774510 /nfs/dbraw/zinc/77/45/10/342774510.db2.gz XQGKNSYZWGCEQW-BXUZGUMPSA-N 1 2 251.374 1.773 20 30 CDEDLO CC[C@H](C#N)C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000593454871 342802423 /nfs/dbraw/zinc/80/24/23/342802423.db2.gz LTKUVLYOLZVGAD-LLVKDONJSA-N 1 2 256.309 1.809 20 30 CDEDLO CC[C@@H](C#N)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000593387322 342793524 /nfs/dbraw/zinc/79/35/24/342793524.db2.gz NWQFEXRJIAQBRG-LBPRGKRZSA-N 1 2 277.393 1.942 20 30 CDEDLO CC[C@@H](C#N)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000593498796 342808222 /nfs/dbraw/zinc/80/82/22/342808222.db2.gz RCUXFLFFGGEVNV-ZDUSSCGKSA-N 1 2 267.373 1.105 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000220174035 342200904 /nfs/dbraw/zinc/20/09/04/342200904.db2.gz PBECEORZSGCDJV-TZMCWYRMSA-N 1 2 273.336 1.389 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000220174035 342200905 /nfs/dbraw/zinc/20/09/05/342200905.db2.gz PBECEORZSGCDJV-TZMCWYRMSA-N 1 2 273.336 1.389 20 30 CDEDLO Cc1cc(NC(=O)CCCn2cc[nH+]c2)ncc1C#N ZINC000594069160 342870365 /nfs/dbraw/zinc/87/03/65/342870365.db2.gz HPNADVMIHKYOQS-UHFFFAOYSA-N 1 2 269.308 1.299 20 30 CDEDLO CC[C@]1(C)COCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000331808535 529409061 /nfs/dbraw/zinc/40/90/61/529409061.db2.gz GFOWTTYFAJNAIK-CABCVRRESA-N 1 2 279.384 1.296 20 30 CDEDLO CC[C@]1(C)COCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000331808535 529409062 /nfs/dbraw/zinc/40/90/62/529409062.db2.gz GFOWTTYFAJNAIK-CABCVRRESA-N 1 2 279.384 1.296 20 30 CDEDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595474465 343063797 /nfs/dbraw/zinc/06/37/97/343063797.db2.gz UXNPZORJQRIDMW-HUUCEWRRSA-N 1 2 288.347 1.099 20 30 CDEDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595474465 343063800 /nfs/dbraw/zinc/06/38/00/343063800.db2.gz UXNPZORJQRIDMW-HUUCEWRRSA-N 1 2 288.347 1.099 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000595620681 343110967 /nfs/dbraw/zinc/11/09/67/343110967.db2.gz OPUMGEOUSXRXCJ-NSHDSACASA-N 1 2 271.324 1.148 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000595620681 343110970 /nfs/dbraw/zinc/11/09/70/343110970.db2.gz OPUMGEOUSXRXCJ-NSHDSACASA-N 1 2 271.324 1.148 20 30 CDEDLO CCc1nc(C#N)cc(NCc2ccc(N(C)C)[nH+]c2)n1 ZINC000596074024 343225860 /nfs/dbraw/zinc/22/58/60/343225860.db2.gz PYBRQFJFCDLOBM-UHFFFAOYSA-N 1 2 282.351 1.406 20 30 CDEDLO Cn1ncc(C#N)c1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000596106213 343228602 /nfs/dbraw/zinc/22/86/02/343228602.db2.gz QOSHVTNWMPTQGH-UHFFFAOYSA-N 1 2 297.362 1.320 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CN2CCCc3ccccc32)CC1 ZINC000081642929 342372776 /nfs/dbraw/zinc/37/27/76/342372776.db2.gz FAAXSGZZFWDUFH-UHFFFAOYSA-N 1 2 297.402 1.217 20 30 CDEDLO COC(=O)[C@](C)([NH2+]CCOc1cccc(C#N)c1)C1CC1 ZINC000081153448 342364742 /nfs/dbraw/zinc/36/47/42/342364742.db2.gz CPOKZAZAANUGPO-MRXNPFEDSA-N 1 2 288.347 1.868 20 30 CDEDLO C=CC[N@@H+](CCO)[C@H](Cc1ccccc1)C(=O)OCC ZINC000444679349 362197757 /nfs/dbraw/zinc/19/77/57/362197757.db2.gz ATUCJWMCFYSFLQ-OAHLLOKOSA-N 1 2 277.364 1.641 20 30 CDEDLO C=CC[N@H+](CCO)[C@H](Cc1ccccc1)C(=O)OCC ZINC000444679349 362197759 /nfs/dbraw/zinc/19/77/59/362197759.db2.gz ATUCJWMCFYSFLQ-OAHLLOKOSA-N 1 2 277.364 1.641 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)CC1(C#N)CCCCC1 ZINC000597136049 343455067 /nfs/dbraw/zinc/45/50/67/343455067.db2.gz QKIRIXDWQFBWFK-UHFFFAOYSA-N 1 2 260.341 1.900 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccnn2CC2CC2)C1 ZINC000597157912 343462879 /nfs/dbraw/zinc/46/28/79/343462879.db2.gz UCBFXDYMBMGCPW-AWEZNQCLSA-N 1 2 260.341 1.144 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccnn2CC2CC2)C1 ZINC000597157912 343462882 /nfs/dbraw/zinc/46/28/82/343462882.db2.gz UCBFXDYMBMGCPW-AWEZNQCLSA-N 1 2 260.341 1.144 20 30 CDEDLO N#CC1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CCC1 ZINC000597784461 343634363 /nfs/dbraw/zinc/63/43/63/343634363.db2.gz SMNDKZQJINXRKX-NSHDSACASA-N 1 2 258.325 1.256 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)c2cccc(C#N)c2)[C@H](C)CO1 ZINC000597996629 343684739 /nfs/dbraw/zinc/68/47/39/343684739.db2.gz KJNMVQIOXJZJMG-CHWSQXEVSA-N 1 2 287.363 1.397 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cccc(C#N)c2)[C@H](C)CO1 ZINC000597996629 343684742 /nfs/dbraw/zinc/68/47/42/343684742.db2.gz KJNMVQIOXJZJMG-CHWSQXEVSA-N 1 2 287.363 1.397 20 30 CDEDLO CCN(C(=O)Cc1cn2cccc(C)c2[nH+]1)[C@H](C)C#N ZINC000598356469 343775178 /nfs/dbraw/zinc/77/51/78/343775178.db2.gz PFXNXXUWLXYSOR-GFCCVEGCSA-N 1 2 270.336 1.946 20 30 CDEDLO C=C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)C(=O)OC ZINC000619702026 349858003 /nfs/dbraw/zinc/85/80/03/349858003.db2.gz DCOZJRFZUXYFQZ-KXNHARMFSA-N 1 2 253.342 1.507 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(C(=O)NCCCCC)CC1 ZINC000619716551 349866387 /nfs/dbraw/zinc/86/63/87/349866387.db2.gz UNDIHCUBOYFWOT-AWEZNQCLSA-N 1 2 296.411 1.732 20 30 CDEDLO COC(=O)[C@](C)(CCF)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598628121 343848750 /nfs/dbraw/zinc/84/87/50/343848750.db2.gz MPDQXDXGVTVEGY-MFKMUULPSA-N 1 2 274.336 1.168 20 30 CDEDLO N#Cc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1O ZINC000598948053 343932664 /nfs/dbraw/zinc/93/26/64/343932664.db2.gz OLYUJWMYTKZQRR-GFCCVEGCSA-N 1 2 282.303 1.205 20 30 CDEDLO CC1(O)C[NH+](Cc2cccc(OCCCC#N)c2)C1 ZINC000602688622 344532447 /nfs/dbraw/zinc/53/24/47/344532447.db2.gz MKCIYYCWJRXNMH-UHFFFAOYSA-N 1 2 260.337 1.936 20 30 CDEDLO C[C@H]1C[N@H+](CC2(C#N)CC2)CCN1CC1(C#N)CC1 ZINC000343320637 362476830 /nfs/dbraw/zinc/47/68/30/362476830.db2.gz LVXBVAPMTBDONL-ZDUSSCGKSA-N 1 2 258.369 1.600 20 30 CDEDLO C[C@H]1C[N@@H+](CC2(C#N)CC2)CCN1CC1(C#N)CC1 ZINC000343320637 362476832 /nfs/dbraw/zinc/47/68/32/362476832.db2.gz LVXBVAPMTBDONL-ZDUSSCGKSA-N 1 2 258.369 1.600 20 30 CDEDLO C[C@H]1CN(CC2(C#N)CC2)CC[N@@H+]1CC1(C#N)CC1 ZINC000343320637 362476833 /nfs/dbraw/zinc/47/68/33/362476833.db2.gz LVXBVAPMTBDONL-ZDUSSCGKSA-N 1 2 258.369 1.600 20 30 CDEDLO C[C@H]1CN(CC2(C#N)CC2)CC[N@H+]1CC1(C#N)CC1 ZINC000343320637 362476835 /nfs/dbraw/zinc/47/68/35/362476835.db2.gz LVXBVAPMTBDONL-ZDUSSCGKSA-N 1 2 258.369 1.600 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000602897471 344653317 /nfs/dbraw/zinc/65/33/17/344653317.db2.gz JXZQZNOBEOPFNF-CYBMUJFWSA-N 1 2 287.367 1.376 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000602897471 344653318 /nfs/dbraw/zinc/65/33/18/344653318.db2.gz JXZQZNOBEOPFNF-CYBMUJFWSA-N 1 2 287.367 1.376 20 30 CDEDLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[NH2+][C@@H](C)CC#N)C1 ZINC000602863811 344631791 /nfs/dbraw/zinc/63/17/91/344631791.db2.gz PSYZKAIJZBBRGC-RWMBFGLXSA-N 1 2 295.383 1.068 20 30 CDEDLO COc1cccc(S(=O)(=O)CC[NH2+][C@@H](C)CC#N)c1 ZINC000602864110 344637556 /nfs/dbraw/zinc/63/75/56/344637556.db2.gz QRRSPKVAMDYQJL-NSHDSACASA-N 1 2 282.365 1.361 20 30 CDEDLO Cc1ccc(NC(=O)NC(=O)C[NH2+][C@@H](C)CC#N)c(C)c1 ZINC000602868654 344640079 /nfs/dbraw/zinc/64/00/79/344640079.db2.gz KAJRVRVBQNTJGX-LBPRGKRZSA-N 1 2 288.351 1.843 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1cccc2nsnc21 ZINC000602870007 344640459 /nfs/dbraw/zinc/64/04/59/344640459.db2.gz RPZOEZXYWXTWRG-QMMMGPOBSA-N 1 2 275.337 1.522 20 30 CDEDLO N#CC1(C(=O)N2CCc3[nH]c[nH+]c3C2)CCCCC1 ZINC000396941511 344823341 /nfs/dbraw/zinc/82/33/41/344823341.db2.gz TWROGBDDAADETF-UHFFFAOYSA-N 1 2 258.325 1.768 20 30 CDEDLO N#CC1(C(=O)N2CCc3[nH+]c[nH]c3C2)CCCCC1 ZINC000396941511 344823343 /nfs/dbraw/zinc/82/33/43/344823343.db2.gz TWROGBDDAADETF-UHFFFAOYSA-N 1 2 258.325 1.768 20 30 CDEDLO N#C[C@]1(NC(=O)Cc2cn3ccccc3[nH+]2)CCSC1 ZINC000603885148 344842604 /nfs/dbraw/zinc/84/26/04/344842604.db2.gz ABGHUDVAJCRVJN-CQSZACIVSA-N 1 2 286.360 1.392 20 30 CDEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC1 ZINC000609484398 344914556 /nfs/dbraw/zinc/91/45/56/344914556.db2.gz BJARDJDZCDYDBQ-ZIAGYGMSSA-N 1 2 294.443 1.455 20 30 CDEDLO Cn1c[nH+]c(CN2CCN(c3ccccc3C#N)CC2)c1 ZINC000618904088 345444984 /nfs/dbraw/zinc/44/49/84/345444984.db2.gz IAAZWFODMDUADU-UHFFFAOYSA-N 1 2 281.363 1.614 20 30 CDEDLO Cn1cnc(C[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC000618904088 345444986 /nfs/dbraw/zinc/44/49/86/345444986.db2.gz IAAZWFODMDUADU-UHFFFAOYSA-N 1 2 281.363 1.614 20 30 CDEDLO CCCCNC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609539149 345596026 /nfs/dbraw/zinc/59/60/26/345596026.db2.gz UNMIPGZNBAMCQQ-HUUCEWRRSA-N 1 2 294.443 1.457 20 30 CDEDLO CCCCNC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609539150 345596372 /nfs/dbraw/zinc/59/63/72/345596372.db2.gz UNMIPGZNBAMCQQ-LSDHHAIUSA-N 1 2 294.443 1.457 20 30 CDEDLO C=CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@@H](C)COC ZINC000617582747 345868064 /nfs/dbraw/zinc/86/80/64/345868064.db2.gz UIMBSYUOIGEDFU-JTQLQIEISA-N 1 2 251.330 1.310 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617722870 345934676 /nfs/dbraw/zinc/93/46/76/345934676.db2.gz GHSBSDMGYZPNHB-STQMWFEESA-N 1 2 268.401 1.814 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617722870 345934681 /nfs/dbraw/zinc/93/46/81/345934681.db2.gz GHSBSDMGYZPNHB-STQMWFEESA-N 1 2 268.401 1.814 20 30 CDEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCc1c[nH+]c[nH]1 ZINC000610246678 346228828 /nfs/dbraw/zinc/22/88/28/346228828.db2.gz UXXUNTVWCNEDFH-UHFFFAOYSA-N 1 2 299.334 1.248 20 30 CDEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCc1c[nH]c[nH+]1 ZINC000610246678 346228830 /nfs/dbraw/zinc/22/88/30/346228830.db2.gz UXXUNTVWCNEDFH-UHFFFAOYSA-N 1 2 299.334 1.248 20 30 CDEDLO N#CCCn1ncc2c1nc[nH+]c2N1C[C@@H]2CCC[C@H]2C1 ZINC000610685464 346354582 /nfs/dbraw/zinc/35/45/82/346354582.db2.gz SYBCBUZETNUFLV-RYUDHWBXSA-N 1 2 282.351 1.976 20 30 CDEDLO CCNC(=O)C[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000611235613 346704122 /nfs/dbraw/zinc/70/41/22/346704122.db2.gz XFNCJDAWQCFGPM-UHFFFAOYSA-N 1 2 261.325 1.135 20 30 CDEDLO CCNC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000611235613 346704124 /nfs/dbraw/zinc/70/41/24/346704124.db2.gz XFNCJDAWQCFGPM-UHFFFAOYSA-N 1 2 261.325 1.135 20 30 CDEDLO C=C[C@@H](O)C(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000614968851 348289295 /nfs/dbraw/zinc/28/92/95/348289295.db2.gz MLBHRGXPBAOPOS-OAHLLOKOSA-N 1 2 299.374 1.891 20 30 CDEDLO COc1ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc1C ZINC000414150780 362924842 /nfs/dbraw/zinc/92/48/42/362924842.db2.gz PELVPOFZEQKSRP-CYBMUJFWSA-N 1 2 278.352 1.589 20 30 CDEDLO COc1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc1C ZINC000414150780 362924848 /nfs/dbraw/zinc/92/48/48/362924848.db2.gz PELVPOFZEQKSRP-CYBMUJFWSA-N 1 2 278.352 1.589 20 30 CDEDLO COCc1ccccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414147182 362925165 /nfs/dbraw/zinc/92/51/65/362925165.db2.gz QAOCHPPHILMKAG-AWEZNQCLSA-N 1 2 278.352 1.418 20 30 CDEDLO COCc1ccccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414147182 362925170 /nfs/dbraw/zinc/92/51/70/362925170.db2.gz QAOCHPPHILMKAG-AWEZNQCLSA-N 1 2 278.352 1.418 20 30 CDEDLO CCC(=O)c1ccccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414147141 362922983 /nfs/dbraw/zinc/92/29/83/362922983.db2.gz RBWZXCVIEGMEHU-CYBMUJFWSA-N 1 2 290.363 1.864 20 30 CDEDLO CCC(=O)c1ccccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414147141 362922989 /nfs/dbraw/zinc/92/29/89/362922989.db2.gz RBWZXCVIEGMEHU-CYBMUJFWSA-N 1 2 290.363 1.864 20 30 CDEDLO N#CCSCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000041785660 348710451 /nfs/dbraw/zinc/71/04/51/348710451.db2.gz OFEQIYXAAAURJJ-UHFFFAOYSA-N 1 2 295.433 1.649 20 30 CDEDLO CC[C@H](C(=O)N=c1[nH][nH]c(C2CC2)c1C#N)[NH+](CC)CC ZINC000601739387 350002057 /nfs/dbraw/zinc/00/20/57/350002057.db2.gz UCDKDFMPDBYFQY-GFCCVEGCSA-N 1 2 289.383 1.640 20 30 CDEDLO COC(=O)C[N@H+](Cc1cccc(C#N)n1)C1CCCC1 ZINC000602480594 350114179 /nfs/dbraw/zinc/11/41/79/350114179.db2.gz AHZOZLMLCJVBHQ-UHFFFAOYSA-N 1 2 273.336 1.871 20 30 CDEDLO COC(=O)C[N@@H+](Cc1cccc(C#N)n1)C1CCCC1 ZINC000602480594 350114181 /nfs/dbraw/zinc/11/41/81/350114181.db2.gz AHZOZLMLCJVBHQ-UHFFFAOYSA-N 1 2 273.336 1.871 20 30 CDEDLO N#Cc1cccc(C[NH2+][C@@H](CCO)c2ccco2)n1 ZINC000602612027 350132397 /nfs/dbraw/zinc/13/23/97/350132397.db2.gz QQUMJIRHTXMJEF-ZDUSSCGKSA-N 1 2 257.293 1.760 20 30 CDEDLO C[C@@H]1[C@@H](C)[N@H+](Cc2cccc(C#N)c2)[C@H](C)C(=O)N1C ZINC000602849505 350154697 /nfs/dbraw/zinc/15/46/97/350154697.db2.gz ROLKOGZWIQYGEW-JHJVBQTASA-N 1 2 271.364 1.998 20 30 CDEDLO C[C@@H]1[C@@H](C)[N@@H+](Cc2cccc(C#N)c2)[C@H](C)C(=O)N1C ZINC000602849505 350154701 /nfs/dbraw/zinc/15/47/01/350154701.db2.gz ROLKOGZWIQYGEW-JHJVBQTASA-N 1 2 271.364 1.998 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3nc[nH]n3)CC2)c(F)c1 ZINC000602870120 350158002 /nfs/dbraw/zinc/15/80/02/350158002.db2.gz LCDVAWOLKLHNNE-UHFFFAOYSA-N 1 2 286.314 1.138 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOC[C@@H]1CC ZINC000115573435 350944255 /nfs/dbraw/zinc/94/42/55/350944255.db2.gz LLZMVZPTRHDUEZ-ZDUSSCGKSA-N 1 2 254.374 1.522 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC[C@@H]1CC ZINC000115573435 350944257 /nfs/dbraw/zinc/94/42/57/350944257.db2.gz LLZMVZPTRHDUEZ-ZDUSSCGKSA-N 1 2 254.374 1.522 20 30 CDEDLO COCC[N@@H+](CCC#N)CCOc1cccc(OC)c1 ZINC000154862320 351344971 /nfs/dbraw/zinc/34/49/71/351344971.db2.gz RWMJMELUSKNKNB-UHFFFAOYSA-N 1 2 278.352 1.936 20 30 CDEDLO COCC[N@H+](CCC#N)CCOc1cccc(OC)c1 ZINC000154862320 351344976 /nfs/dbraw/zinc/34/49/76/351344976.db2.gz RWMJMELUSKNKNB-UHFFFAOYSA-N 1 2 278.352 1.936 20 30 CDEDLO N#C[C@H]1CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CCO1 ZINC000264443963 363066530 /nfs/dbraw/zinc/06/65/30/363066530.db2.gz AXIJGWWYDUVAHG-HNNXBMFYSA-N 1 2 296.330 1.296 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNc2cc(C#N)ccc2[N+](=O)[O-])CCO1 ZINC000545221433 363213102 /nfs/dbraw/zinc/21/31/02/363213102.db2.gz DFVVBFWGCOLFLL-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@@H]1C[N@H+](CCNc2cc(C#N)ccc2[N+](=O)[O-])CCO1 ZINC000545221433 363213100 /nfs/dbraw/zinc/21/31/00/363213100.db2.gz DFVVBFWGCOLFLL-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO Cc1[nH]c2ccc(Cn3nc(C)c(C)c(C#N)c3=O)cc2[nH+]1 ZINC000342688210 356115095 /nfs/dbraw/zinc/11/50/95/356115095.db2.gz OZTJMDGUNPRDKI-UHFFFAOYSA-N 1 2 293.330 1.965 20 30 CDEDLO Cc1[nH]c2cc(Cn3nc(C)c(C)c(C#N)c3=O)ccc2[nH+]1 ZINC000342688210 356115100 /nfs/dbraw/zinc/11/51/00/356115100.db2.gz OZTJMDGUNPRDKI-UHFFFAOYSA-N 1 2 293.330 1.965 20 30 CDEDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000336547836 356204913 /nfs/dbraw/zinc/20/49/13/356204913.db2.gz HYONFMLSTMQUMM-AWEZNQCLSA-N 1 2 257.337 1.577 20 30 CDEDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000336547836 356204917 /nfs/dbraw/zinc/20/49/17/356204917.db2.gz HYONFMLSTMQUMM-AWEZNQCLSA-N 1 2 257.337 1.577 20 30 CDEDLO C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CCCCO1)[NH+]1CCOCC1 ZINC000329410275 538565866 /nfs/dbraw/zinc/56/58/66/538565866.db2.gz BSVYVOPWWXJODE-IHRRRGAJSA-N 1 2 299.415 1.168 20 30 CDEDLO C#CC[N@@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000298650618 356907815 /nfs/dbraw/zinc/90/78/15/356907815.db2.gz XKEATSKWOQMTBZ-LLVKDONJSA-N 1 2 259.334 1.290 20 30 CDEDLO C#CC[N@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000298650618 356907818 /nfs/dbraw/zinc/90/78/18/356907818.db2.gz XKEATSKWOQMTBZ-LLVKDONJSA-N 1 2 259.334 1.290 20 30 CDEDLO N#Cc1ccnc(NCCNc2cccc[nH+]2)c1Cl ZINC000341338196 357230575 /nfs/dbraw/zinc/23/05/75/357230575.db2.gz BEQKKOSHAUUKAE-UHFFFAOYSA-N 1 2 273.727 1.948 20 30 CDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070979356 357178549 /nfs/dbraw/zinc/17/85/49/357178549.db2.gz VHMHRIDUPVXBGY-LLVKDONJSA-N 1 2 284.319 1.707 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000491771360 357490943 /nfs/dbraw/zinc/49/09/43/357490943.db2.gz RIVSAGIVORPWPY-JTQLQIEISA-N 1 2 263.341 1.864 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000491771360 357490947 /nfs/dbraw/zinc/49/09/47/357490947.db2.gz RIVSAGIVORPWPY-JTQLQIEISA-N 1 2 263.341 1.864 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(CCO)CC1 ZINC000186298004 357635600 /nfs/dbraw/zinc/63/56/00/357635600.db2.gz NWGHTBUACHSMKK-CYBMUJFWSA-N 1 2 259.353 1.229 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000494868718 366513648 /nfs/dbraw/zinc/51/36/48/366513648.db2.gz AHHAHICHBBRKNB-ZIAGYGMSSA-N 1 2 281.400 1.457 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000494868718 366513654 /nfs/dbraw/zinc/51/36/54/366513654.db2.gz AHHAHICHBBRKNB-ZIAGYGMSSA-N 1 2 281.400 1.457 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCOc2ccccc2C1)C1CC1 ZINC000603868962 358990331 /nfs/dbraw/zinc/99/03/31/358990331.db2.gz ZJXSIQXPTWETOA-KRWDZBQOSA-N 1 2 299.374 1.689 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCOc2ccccc2C1)C1CC1 ZINC000603868962 358990339 /nfs/dbraw/zinc/99/03/39/358990339.db2.gz ZJXSIQXPTWETOA-KRWDZBQOSA-N 1 2 299.374 1.689 20 30 CDEDLO C#CCC[NH+]1CCN(Cc2nnc(OCC)s2)CC1 ZINC000272005702 359445932 /nfs/dbraw/zinc/44/59/32/359445932.db2.gz IVTSHFQIMCKJIB-UHFFFAOYSA-N 1 2 280.397 1.078 20 30 CDEDLO C#C[C@H](C)NC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000274737184 359518455 /nfs/dbraw/zinc/51/84/55/359518455.db2.gz CHNKUDFUJNTWFK-NSHDSACASA-N 1 2 294.424 1.217 20 30 CDEDLO C#CC[N@@H+](CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C)C1CC1 ZINC000274174066 359492603 /nfs/dbraw/zinc/49/26/03/359492603.db2.gz ODBRVTQIULKILS-JSGCOSHPSA-N 1 2 291.395 1.489 20 30 CDEDLO C#CC[N@H+](CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C)C1CC1 ZINC000274174066 359492606 /nfs/dbraw/zinc/49/26/06/359492606.db2.gz ODBRVTQIULKILS-JSGCOSHPSA-N 1 2 291.395 1.489 20 30 CDEDLO CC#CC[NH+]1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000277215543 359558922 /nfs/dbraw/zinc/55/89/22/359558922.db2.gz XAOXMRYULZCSTB-UHFFFAOYSA-N 1 2 269.270 1.644 20 30 CDEDLO C#CCCCC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000277865956 359575414 /nfs/dbraw/zinc/57/54/14/359575414.db2.gz OOSOWLJSCYLOAP-UHFFFAOYSA-N 1 2 287.363 1.338 20 30 CDEDLO C=CCOCCC[N@@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000348046331 359796861 /nfs/dbraw/zinc/79/68/61/359796861.db2.gz JWWNAFVHXDEOPI-ZDUSSCGKSA-N 1 2 280.393 1.814 20 30 CDEDLO C=CCOCCC[N@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000348046331 359796865 /nfs/dbraw/zinc/79/68/65/359796865.db2.gz JWWNAFVHXDEOPI-ZDUSSCGKSA-N 1 2 280.393 1.814 20 30 CDEDLO CC(C)(C)OC(=O)NCC[N@H+](CCO)CC1(C#N)CCC1 ZINC000495868588 366543304 /nfs/dbraw/zinc/54/33/04/366543304.db2.gz WVGHVXPRAREOHC-UHFFFAOYSA-N 1 2 297.399 1.499 20 30 CDEDLO CC(C)(C)OC(=O)NCC[N@@H+](CCO)CC1(C#N)CCC1 ZINC000495868588 366543308 /nfs/dbraw/zinc/54/33/08/366543308.db2.gz WVGHVXPRAREOHC-UHFFFAOYSA-N 1 2 297.399 1.499 20 30 CDEDLO CCOCCOC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC000297625883 200244857 /nfs/dbraw/zinc/24/48/57/200244857.db2.gz LRBYQWQFQPBCTQ-UHFFFAOYSA-N 1 2 260.337 1.796 20 30 CDEDLO C=CCCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000081515510 359858349 /nfs/dbraw/zinc/85/83/49/359858349.db2.gz UQVDSTNPNGMEOU-UHFFFAOYSA-N 1 2 251.374 1.500 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cn3ccccc3n2)C1=O ZINC000337227794 360037488 /nfs/dbraw/zinc/03/74/88/360037488.db2.gz QKDIRVUUEGSHJB-AWEZNQCLSA-N 1 2 284.363 1.553 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cn3ccccc3n2)C1=O ZINC000337227794 360037491 /nfs/dbraw/zinc/03/74/91/360037491.db2.gz QKDIRVUUEGSHJB-AWEZNQCLSA-N 1 2 284.363 1.553 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1ccnn1C ZINC000348383709 360038191 /nfs/dbraw/zinc/03/81/91/360038191.db2.gz ZBNHPGAWYYXDAN-UHFFFAOYSA-N 1 2 264.373 1.277 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1ccnn1C ZINC000348383709 360038196 /nfs/dbraw/zinc/03/81/96/360038196.db2.gz ZBNHPGAWYYXDAN-UHFFFAOYSA-N 1 2 264.373 1.277 20 30 CDEDLO CC[C@](C)(C#N)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000348504286 360110391 /nfs/dbraw/zinc/11/03/91/360110391.db2.gz DVHAQODKVJNSSP-CQSZACIVSA-N 1 2 267.373 1.153 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000005062512 360151137 /nfs/dbraw/zinc/15/11/37/360151137.db2.gz YZZFIWIFNUZYIJ-UHFFFAOYSA-N 1 2 292.342 1.916 20 30 CDEDLO Cc1cccn2cc(CC(=O)N[C@@H]3CC[C@H](C#N)C3)[nH+]c12 ZINC000335546898 360401563 /nfs/dbraw/zinc/40/15/63/360401563.db2.gz TXKAFHYHAXUYRE-QWHCGFSZSA-N 1 2 282.347 1.994 20 30 CDEDLO C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000177724311 189065323 /nfs/dbraw/zinc/06/53/23/189065323.db2.gz OOVWXJXFVBFNIN-SMDDNHRTSA-N 1 2 283.335 1.806 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+](C)CC(=O)NC1CC1 ZINC000130443455 360540888 /nfs/dbraw/zinc/54/08/88/360540888.db2.gz KRLNCZPKSILQRD-UHFFFAOYSA-N 1 2 273.336 1.277 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+](C)CC(=O)NC1CC1 ZINC000130443455 360540892 /nfs/dbraw/zinc/54/08/92/360540892.db2.gz KRLNCZPKSILQRD-UHFFFAOYSA-N 1 2 273.336 1.277 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000245600449 360711966 /nfs/dbraw/zinc/71/19/66/360711966.db2.gz ITTXRZAZOKODMX-YPMHNXCESA-N 1 2 289.383 1.315 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000245600449 360711968 /nfs/dbraw/zinc/71/19/68/360711968.db2.gz ITTXRZAZOKODMX-YPMHNXCESA-N 1 2 289.383 1.315 20 30 CDEDLO N#C[C@@H]1C[N@@H+]([C@H]2CCN(C3CC3)C2=O)C[C@H]1c1ccccc1 ZINC000429033057 360743503 /nfs/dbraw/zinc/74/35/03/360743503.db2.gz ZFQUQZHINLGWIY-PVAVHDDUSA-N 1 2 295.386 1.989 20 30 CDEDLO N#C[C@@H]1C[N@H+]([C@H]2CCN(C3CC3)C2=O)C[C@H]1c1ccccc1 ZINC000429033057 360743507 /nfs/dbraw/zinc/74/35/07/360743507.db2.gz ZFQUQZHINLGWIY-PVAVHDDUSA-N 1 2 295.386 1.989 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCOC2(CCCC2)C1 ZINC000158043386 361081395 /nfs/dbraw/zinc/08/13/95/361081395.db2.gz RJRXXNPXFGRWIG-ZDUSSCGKSA-N 1 2 279.384 1.392 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCOC2(CCCC2)C1 ZINC000158043386 361081399 /nfs/dbraw/zinc/08/13/99/361081399.db2.gz RJRXXNPXFGRWIG-ZDUSSCGKSA-N 1 2 279.384 1.392 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000564733869 361150921 /nfs/dbraw/zinc/15/09/21/361150921.db2.gz APNWQLTXTAPFAS-NSHDSACASA-N 1 2 291.399 1.938 20 30 CDEDLO C[C@H](C(=O)N1CCCCC1)[N@H+](C)CC(C)(C)C#N ZINC000433303946 361229784 /nfs/dbraw/zinc/22/97/84/361229784.db2.gz LYZZOKYXJXPBFY-GFCCVEGCSA-N 1 2 251.374 1.869 20 30 CDEDLO C[C@H](C(=O)N1CCCCC1)[N@@H+](C)CC(C)(C)C#N ZINC000433303946 361229786 /nfs/dbraw/zinc/22/97/86/361229786.db2.gz LYZZOKYXJXPBFY-GFCCVEGCSA-N 1 2 251.374 1.869 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C#Cc2ccccc2)C1 ZINC000374392483 370694528 /nfs/dbraw/zinc/69/45/28/370694528.db2.gz ZXVZJUPRRQUPPN-HNNXBMFYSA-N 1 2 279.343 1.788 20 30 CDEDLO N#Cc1cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)ccc1F ZINC000580423648 363906530 /nfs/dbraw/zinc/90/65/30/363906530.db2.gz DOJPPPKECVNGGD-GFCCVEGCSA-N 1 2 284.294 1.639 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1ccc(F)cc1 ZINC000574925288 364177990 /nfs/dbraw/zinc/17/79/90/364177990.db2.gz WOVCYCBCTZSYJD-ZDUSSCGKSA-N 1 2 263.316 1.724 20 30 CDEDLO CCCC[N@H+](CC(N)=O)CC(=O)Nc1cccc(C#N)c1 ZINC000042253557 364550955 /nfs/dbraw/zinc/55/09/55/364550955.db2.gz VLKWTORGVAQQFM-UHFFFAOYSA-N 1 2 288.351 1.084 20 30 CDEDLO CCCC[N@@H+](CC(N)=O)CC(=O)Nc1cccc(C#N)c1 ZINC000042253557 364550965 /nfs/dbraw/zinc/55/09/65/364550965.db2.gz VLKWTORGVAQQFM-UHFFFAOYSA-N 1 2 288.351 1.084 20 30 CDEDLO C#CC[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000192226698 189616963 /nfs/dbraw/zinc/61/69/63/189616963.db2.gz NWJFYYFDHBOEQL-UHFFFAOYSA-N 1 2 252.245 1.808 20 30 CDEDLO C#CC[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000192226698 189616964 /nfs/dbraw/zinc/61/69/64/189616964.db2.gz NWJFYYFDHBOEQL-UHFFFAOYSA-N 1 2 252.245 1.808 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1ncn(C)n1 ZINC000275816273 193136194 /nfs/dbraw/zinc/13/61/94/193136194.db2.gz YJKHNMQKZAPTBO-VXGBXAGGSA-N 1 2 279.388 1.279 20 30 CDEDLO C[NH2+]Cc1noc(CSc2ccc(C#N)cc2)n1 ZINC000414638927 241288617 /nfs/dbraw/zinc/28/86/17/241288617.db2.gz FUKWRAFOPWCDOY-UHFFFAOYSA-N 1 2 260.322 1.953 20 30 CDEDLO C=CCC1(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CCCC1 ZINC000567120241 370887488 /nfs/dbraw/zinc/88/74/88/370887488.db2.gz NODHFPUVRTUZBS-CQSZACIVSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CCC1(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CCCC1 ZINC000567120241 370887491 /nfs/dbraw/zinc/88/74/91/370887491.db2.gz NODHFPUVRTUZBS-CQSZACIVSA-N 1 2 280.412 1.960 20 30 CDEDLO Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(CC#N)CC2)on1 ZINC000541951225 368710155 /nfs/dbraw/zinc/71/01/55/368710155.db2.gz CWJGZSXNQXDLLC-LLVKDONJSA-N 1 2 276.340 1.936 20 30 CDEDLO CC#CCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000361637127 368953516 /nfs/dbraw/zinc/95/35/16/368953516.db2.gz JPTHXVHEKCBLIR-UHFFFAOYSA-N 1 2 272.352 1.327 20 30 CDEDLO C#CC[NH+]1CCN(Cn2nc(CSC)oc2=S)CC1 ZINC000074171414 369242073 /nfs/dbraw/zinc/24/20/73/369242073.db2.gz XLJGVMJDFVICGA-UHFFFAOYSA-N 1 2 298.437 1.277 20 30 CDEDLO C=CCC[N@@H+](C)Cc1noc(CCCC(=O)OC)n1 ZINC000276399051 193316678 /nfs/dbraw/zinc/31/66/78/193316678.db2.gz KGTCRZWIZOGMRY-UHFFFAOYSA-N 1 2 267.329 1.573 20 30 CDEDLO C=CCC[N@H+](C)Cc1noc(CCCC(=O)OC)n1 ZINC000276399051 193316680 /nfs/dbraw/zinc/31/66/80/193316680.db2.gz KGTCRZWIZOGMRY-UHFFFAOYSA-N 1 2 267.329 1.573 20 30 CDEDLO COCC[NH+]1CCN(c2c(Cl)cccc2C#N)CC1 ZINC000266167109 370426772 /nfs/dbraw/zinc/42/67/72/370426772.db2.gz PXSMXQMBVXWOLU-UHFFFAOYSA-N 1 2 279.771 1.980 20 30 CDEDLO CC(C)C(=O)NCC[N@H+](C)C[C@H](C#N)CCC#N ZINC000157421365 371178028 /nfs/dbraw/zinc/17/80/28/371178028.db2.gz UCFWYHNWMFESNJ-LBPRGKRZSA-N 1 2 250.346 1.134 20 30 CDEDLO CC(C)C(=O)NCC[N@@H+](C)C[C@H](C#N)CCC#N ZINC000157421365 371178034 /nfs/dbraw/zinc/17/80/34/371178034.db2.gz UCFWYHNWMFESNJ-LBPRGKRZSA-N 1 2 250.346 1.134 20 30 CDEDLO CCc1nc(C)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)s1 ZINC000569127877 371237421 /nfs/dbraw/zinc/23/74/21/371237421.db2.gz ICAWJYFYACDPAC-ZDUSSCGKSA-N 1 2 280.397 1.588 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)CC2(CCC2)O1 ZINC000573486028 371558612 /nfs/dbraw/zinc/55/86/12/371558612.db2.gz XDNPHPLBIDVBNR-GFCCVEGCSA-N 1 2 277.368 1.192 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)CC2(CCC2)O1 ZINC000573486028 371558620 /nfs/dbraw/zinc/55/86/20/371558620.db2.gz XDNPHPLBIDVBNR-GFCCVEGCSA-N 1 2 277.368 1.192 20 30 CDEDLO COc1cc(C#N)ccc1C[NH+]1CCN(CC(F)F)CC1 ZINC000120737767 371743351 /nfs/dbraw/zinc/74/33/51/371743351.db2.gz VKWBFHKGJHYLFO-UHFFFAOYSA-N 1 2 295.333 1.950 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)CCC(=O)NC)c1C ZINC000171670872 372204088 /nfs/dbraw/zinc/20/40/88/372204088.db2.gz AGGAMEBEEUJBAR-UHFFFAOYSA-N 1 2 291.395 1.542 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)CCC(=O)NC)c1C ZINC000171670872 372204096 /nfs/dbraw/zinc/20/40/96/372204096.db2.gz AGGAMEBEEUJBAR-UHFFFAOYSA-N 1 2 291.395 1.542 20 30 CDEDLO C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1cccc(F)c1 ZINC000579599008 372601572 /nfs/dbraw/zinc/60/15/72/372601572.db2.gz DLORLVCDECDASF-NHYWBVRUSA-N 1 2 277.343 1.889 20 30 CDEDLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000330528010 373691116 /nfs/dbraw/zinc/69/11/16/373691116.db2.gz RGCAEJIXEJQFAV-INIZCTEOSA-N 1 2 287.363 1.998 20 30 CDEDLO CC[C@@]1(C)COCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000330528010 373691122 /nfs/dbraw/zinc/69/11/22/373691122.db2.gz RGCAEJIXEJQFAV-INIZCTEOSA-N 1 2 287.363 1.998 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000341492657 373708178 /nfs/dbraw/zinc/70/81/78/373708178.db2.gz MCTXUDJSRSKADG-KBPBESRZSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000341492657 373708183 /nfs/dbraw/zinc/70/81/83/373708183.db2.gz MCTXUDJSRSKADG-KBPBESRZSA-N 1 2 283.416 1.751 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cc(C#N)ccn1)CCC2 ZINC000355144249 373822612 /nfs/dbraw/zinc/82/26/12/373822612.db2.gz RVSOBBSJNKLKFJ-CYBMUJFWSA-N 1 2 295.346 1.766 20 30 CDEDLO CCN1CC[N@H+](Cc2ccc(C#N)o2)C[C@@H]1c1ncc[nH]1 ZINC000355331790 373824816 /nfs/dbraw/zinc/82/48/16/373824816.db2.gz NDZGLLLVPCRPQE-CQSZACIVSA-N 1 2 285.351 1.753 20 30 CDEDLO CCN1CC[N@@H+](Cc2ccc(C#N)o2)C[C@@H]1c1ncc[nH]1 ZINC000355331790 373824825 /nfs/dbraw/zinc/82/48/25/373824825.db2.gz NDZGLLLVPCRPQE-CQSZACIVSA-N 1 2 285.351 1.753 20 30 CDEDLO N#Cc1ccncc1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000358380826 373955158 /nfs/dbraw/zinc/95/51/58/373955158.db2.gz GITTWWOJIHHPLF-UHFFFAOYSA-N 1 2 277.287 1.531 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)/C=C/c2ccc(C#N)cc2)C1 ZINC000299424001 373907826 /nfs/dbraw/zinc/90/78/26/373907826.db2.gz FVWMKBIMQCWPLU-LFAOLKIESA-N 1 2 285.347 1.018 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNC(=O)/C=C/c2ccc(C#N)cc2)C1 ZINC000299424001 373907833 /nfs/dbraw/zinc/90/78/33/373907833.db2.gz FVWMKBIMQCWPLU-LFAOLKIESA-N 1 2 285.347 1.018 20 30 CDEDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000361373777 374040634 /nfs/dbraw/zinc/04/06/34/374040634.db2.gz UPQJAGUMMFZJEM-SNVBAGLBSA-N 1 2 265.338 1.279 20 30 CDEDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000361373777 374040641 /nfs/dbraw/zinc/04/06/41/374040641.db2.gz UPQJAGUMMFZJEM-SNVBAGLBSA-N 1 2 265.338 1.279 20 30 CDEDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1ccccc1C#N ZINC000350873506 374122807 /nfs/dbraw/zinc/12/28/07/374122807.db2.gz ZFEJLNNDYVWJJN-VXGBXAGGSA-N 1 2 293.392 1.271 20 30 CDEDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1ccccc1C#N ZINC000350873506 374122814 /nfs/dbraw/zinc/12/28/14/374122814.db2.gz ZFEJLNNDYVWJJN-VXGBXAGGSA-N 1 2 293.392 1.271 20 30 CDEDLO Cn1cc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)cc1C#N ZINC000368040502 374152197 /nfs/dbraw/zinc/15/21/97/374152197.db2.gz JAPLBMLYYRFKGM-GJZGRUSLSA-N 1 2 275.352 1.277 20 30 CDEDLO Cn1cc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)cc1C#N ZINC000368040502 374152203 /nfs/dbraw/zinc/15/22/03/374152203.db2.gz JAPLBMLYYRFKGM-GJZGRUSLSA-N 1 2 275.352 1.277 20 30 CDEDLO Cn1c[nH+]cc1CS(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000342439827 374204169 /nfs/dbraw/zinc/20/41/69/374204169.db2.gz BMMVWLHVTUCUHK-UHFFFAOYSA-N 1 2 289.360 1.601 20 30 CDEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CCO1 ZINC000528731410 374454239 /nfs/dbraw/zinc/45/42/39/374454239.db2.gz JUPFYSFGVLMGKV-AWEZNQCLSA-N 1 2 278.327 1.935 20 30 CDEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CCO1 ZINC000528731410 374454243 /nfs/dbraw/zinc/45/42/43/374454243.db2.gz JUPFYSFGVLMGKV-AWEZNQCLSA-N 1 2 278.327 1.935 20 30 CDEDLO C[C@@](C#N)(NC(=O)CN1CCC[C@H]1c1[nH]cc[nH+]1)C1CC1 ZINC000332787947 374623426 /nfs/dbraw/zinc/62/34/26/374623426.db2.gz ILUNFGUOVJXGKX-WFASDCNBSA-N 1 2 287.367 1.355 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)CC[S@@]1=O ZINC000277031685 374765959 /nfs/dbraw/zinc/76/59/59/374765959.db2.gz BBWITRPZTLMLQK-SGTLLEGYSA-N 1 2 262.378 1.901 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)CC[S@@]1=O ZINC000277031685 374765967 /nfs/dbraw/zinc/76/59/67/374765967.db2.gz BBWITRPZTLMLQK-SGTLLEGYSA-N 1 2 262.378 1.901 20 30 CDEDLO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCOC1 ZINC000332221448 375016625 /nfs/dbraw/zinc/01/66/25/375016625.db2.gz YHPYBFXOYGUJOG-ZDUSSCGKSA-N 1 2 284.319 1.829 20 30 CDEDLO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCOC1 ZINC000332221448 375016627 /nfs/dbraw/zinc/01/66/27/375016627.db2.gz YHPYBFXOYGUJOG-ZDUSSCGKSA-N 1 2 284.319 1.829 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000283990871 375128617 /nfs/dbraw/zinc/12/86/17/375128617.db2.gz JIBNWKSWAQVREV-CYBMUJFWSA-N 1 2 284.319 1.614 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000283990871 375128622 /nfs/dbraw/zinc/12/86/22/375128622.db2.gz JIBNWKSWAQVREV-CYBMUJFWSA-N 1 2 284.319 1.614 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCCN(C=O)CC2)ccc1F ZINC000294154558 375195821 /nfs/dbraw/zinc/19/58/21/375195821.db2.gz HSMJGXOSQCXKHP-UHFFFAOYSA-N 1 2 261.300 1.361 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCCN(C=O)CC2)ccc1F ZINC000294154558 375195829 /nfs/dbraw/zinc/19/58/29/375195829.db2.gz HSMJGXOSQCXKHP-UHFFFAOYSA-N 1 2 261.300 1.361 20 30 CDEDLO N#Cc1cccc(C=CC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000493238914 375428680 /nfs/dbraw/zinc/42/86/80/375428680.db2.gz LJLSHUHCDXUZHZ-HJHHMULASA-N 1 2 292.342 1.968 20 30 CDEDLO N#Cc1cccc(C=CC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000493238914 375428687 /nfs/dbraw/zinc/42/86/87/375428687.db2.gz LJLSHUHCDXUZHZ-HJHHMULASA-N 1 2 292.342 1.968 20 30 CDEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(C#N)CC2)C1 ZINC000057907030 375601864 /nfs/dbraw/zinc/60/18/64/375601864.db2.gz SPUFMJHATNWKSR-BETUJISGSA-N 1 2 263.385 1.726 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cncc(OC)c2)C1=O ZINC000289479149 197367365 /nfs/dbraw/zinc/36/73/65/197367365.db2.gz RNJBXCQOQAAJNS-AWEZNQCLSA-N 1 2 275.352 1.309 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cncc(OC)c2)C1=O ZINC000289479149 197367366 /nfs/dbraw/zinc/36/73/66/197367366.db2.gz RNJBXCQOQAAJNS-AWEZNQCLSA-N 1 2 275.352 1.309 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000496020019 375703200 /nfs/dbraw/zinc/70/32/00/375703200.db2.gz JSDQJOTZKNIZHX-CYBMUJFWSA-N 1 2 291.326 1.970 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000496020019 375703206 /nfs/dbraw/zinc/70/32/06/375703206.db2.gz JSDQJOTZKNIZHX-CYBMUJFWSA-N 1 2 291.326 1.970 20 30 CDEDLO CN(C(=O)C[N@H+](C)[C@@H]1CCNC1=O)C1(C#N)CCCCC1 ZINC000328807214 375959639 /nfs/dbraw/zinc/95/96/39/375959639.db2.gz CQZAEBIAXPNTQR-GFCCVEGCSA-N 1 2 292.383 1.332 20 30 CDEDLO CN(C(=O)C[N@@H+](C)[C@@H]1CCNC1=O)C1(C#N)CCCCC1 ZINC000328807214 375959645 /nfs/dbraw/zinc/95/96/45/375959645.db2.gz CQZAEBIAXPNTQR-GFCCVEGCSA-N 1 2 292.383 1.332 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ncoc1C1CC1 ZINC000328799903 375975212 /nfs/dbraw/zinc/97/52/12/375975212.db2.gz HQZGGJYTDYZLDB-SNVBAGLBSA-N 1 2 279.340 1.577 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ncoc1C1CC1 ZINC000328799903 375975216 /nfs/dbraw/zinc/97/52/16/375975216.db2.gz HQZGGJYTDYZLDB-SNVBAGLBSA-N 1 2 279.340 1.577 20 30 CDEDLO C=C1CC(C)(C(=O)N2CC[NH+](CCOCC)CC2)C1 ZINC000631214325 376013767 /nfs/dbraw/zinc/01/37/67/376013767.db2.gz UVXDHJPYYACSNT-UHFFFAOYSA-N 1 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377971044 /nfs/dbraw/zinc/97/10/44/377971044.db2.gz DWEQPVRPICUPRH-SJORKVTESA-N 1 2 270.376 1.595 20 30 CDEDLO CC#CCN1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000280713766 377971048 /nfs/dbraw/zinc/97/10/48/377971048.db2.gz DWEQPVRPICUPRH-SJORKVTESA-N 1 2 270.376 1.595 20 30 CDEDLO C=CCCCCC[N@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000193373155 378281390 /nfs/dbraw/zinc/28/13/90/378281390.db2.gz ULGVWNRRZFMLIN-UHFFFAOYSA-N 1 2 276.384 1.815 20 30 CDEDLO C=CCCCCC[N@@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000193373155 378281392 /nfs/dbraw/zinc/28/13/92/378281392.db2.gz ULGVWNRRZFMLIN-UHFFFAOYSA-N 1 2 276.384 1.815 20 30 CDEDLO C=CCN1CC[C@@H](N(C)c2cc(C)[nH+]c(CC)n2)C1=O ZINC000287889829 378294469 /nfs/dbraw/zinc/29/44/69/378294469.db2.gz UVDGIEYROZSVNR-GFCCVEGCSA-N 1 2 274.368 1.571 20 30 CDEDLO Cc1noc([C@@H](C)N2CC[NH+](CCCC#N)CC2)n1 ZINC000105864133 378470574 /nfs/dbraw/zinc/47/05/74/378470574.db2.gz SWPOGZMXCXFZQT-LLVKDONJSA-N 1 2 263.345 1.360 20 30 CDEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000066560373 378680344 /nfs/dbraw/zinc/68/03/44/378680344.db2.gz ALDVBZDWWRLSBP-HNNXBMFYSA-N 1 2 290.388 1.733 20 30 CDEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000066560373 378680348 /nfs/dbraw/zinc/68/03/48/378680348.db2.gz ALDVBZDWWRLSBP-HNNXBMFYSA-N 1 2 290.388 1.733 20 30 CDEDLO CS(=O)(=O)C[C@H]([NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000343566445 378929095 /nfs/dbraw/zinc/92/90/95/378929095.db2.gz SLIJYDJMNJLMFB-ZDUSSCGKSA-N 1 2 278.377 1.666 20 30 CDEDLO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000278631766 194077322 /nfs/dbraw/zinc/07/73/22/194077322.db2.gz IHDBKDNWJKHQJJ-ZDUSSCGKSA-N 1 2 282.365 1.550 20 30 CDEDLO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000278631766 194077323 /nfs/dbraw/zinc/07/73/23/194077323.db2.gz IHDBKDNWJKHQJJ-ZDUSSCGKSA-N 1 2 282.365 1.550 20 30 CDEDLO Cc1ccnc(N(C)[C@H](C)C[NH+]2CCOCC2)c1C#N ZINC000278881684 194195822 /nfs/dbraw/zinc/19/58/22/194195822.db2.gz 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/nfs/dbraw/zinc/19/13/80/195191380.db2.gz KIQODBKLGKBERB-ONGXEEELSA-N 1 2 280.290 1.018 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)C[C@](C)(O)C(F)(F)F)C1=O ZINC000281308382 195191382 /nfs/dbraw/zinc/19/13/82/195191382.db2.gz KIQODBKLGKBERB-ONGXEEELSA-N 1 2 280.290 1.018 20 30 CDEDLO COC[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329754935 285274405 /nfs/dbraw/zinc/27/44/05/285274405.db2.gz XSGTXPBJMLHZPJ-GHMZBOCLSA-N 1 2 278.356 1.149 20 30 CDEDLO COC[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329754935 285274408 /nfs/dbraw/zinc/27/44/08/285274408.db2.gz XSGTXPBJMLHZPJ-GHMZBOCLSA-N 1 2 278.356 1.149 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](CCC)C(=O)OCC)C1=O ZINC000281439151 195240964 /nfs/dbraw/zinc/24/09/64/195240964.db2.gz TUXDTEJLPODKIC-STQMWFEESA-N 1 2 282.384 1.437 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](CCC)C(=O)OCC)C1=O ZINC000281439151 195240966 /nfs/dbraw/zinc/24/09/66/195240966.db2.gz TUXDTEJLPODKIC-STQMWFEESA-N 1 2 282.384 1.437 20 30 CDEDLO COc1cc(C[NH2+][C@@H](C)c2ncnn2C)ccc1C#N ZINC000281446766 195243782 /nfs/dbraw/zinc/24/37/82/195243782.db2.gz ABCPFLHJGZFTCS-JTQLQIEISA-N 1 2 271.324 1.546 20 30 CDEDLO Cn1cc(C[N@H+](C)CC(=O)Nc2cccc(C#N)c2)cn1 ZINC000032539559 390178093 /nfs/dbraw/zinc/17/80/93/390178093.db2.gz XVDGPUHLCUADLS-UHFFFAOYSA-N 1 2 283.335 1.362 20 30 CDEDLO Cn1cc(C[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)cn1 ZINC000032539559 390178095 /nfs/dbraw/zinc/17/80/95/390178095.db2.gz XVDGPUHLCUADLS-UHFFFAOYSA-N 1 2 283.335 1.362 20 30 CDEDLO CC[N@@H+](CC(=O)NCc1ccccc1)C[C@H](C)C#N ZINC000042323982 390481624 /nfs/dbraw/zinc/48/16/24/390481624.db2.gz CGSDWUAOZFTJEA-CYBMUJFWSA-N 1 2 259.353 1.784 20 30 CDEDLO CC[N@H+](CC(=O)NCc1ccccc1)C[C@H](C)C#N ZINC000042323982 390481631 /nfs/dbraw/zinc/48/16/31/390481631.db2.gz CGSDWUAOZFTJEA-CYBMUJFWSA-N 1 2 259.353 1.784 20 30 CDEDLO COc1cccc(/C=[NH+]/CCCN2C(=O)CCC2=O)c1O ZINC000105935538 390524049 /nfs/dbraw/zinc/52/40/49/390524049.db2.gz VSMMNOUZQVSLKI-MHWRWJLKSA-N 1 2 290.319 1.359 20 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297.362 1.056 20 30 CDEDLO C[C@]1(CNC(=O)N2CCn3cc[nH+]c3C2)CCOC1 ZINC000329471652 390994272 /nfs/dbraw/zinc/99/42/72/390994272.db2.gz ZEVVBWYMROITTA-CYBMUJFWSA-N 1 2 264.329 1.039 20 30 CDEDLO Cc1cc(NC(=O)NC[C@H]2CCCCS2(=O)=O)cc[nH+]1 ZINC000329496781 390998740 /nfs/dbraw/zinc/99/87/40/390998740.db2.gz DXIGXHDOVNHQIS-GFCCVEGCSA-N 1 2 297.380 1.105 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H]1CCO ZINC000329609548 391030219 /nfs/dbraw/zinc/03/02/19/391030219.db2.gz JAYGEQBJTVVEJS-MNOVXSKESA-N 1 2 278.356 1.028 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H]1CCO ZINC000329609548 391030224 /nfs/dbraw/zinc/03/02/24/391030224.db2.gz JAYGEQBJTVVEJS-MNOVXSKESA-N 1 2 278.356 1.028 20 30 CDEDLO CN(CC[NH+]1CCOCC1)C(=O)c1cccc(F)c1C#N ZINC000189011874 391069974 /nfs/dbraw/zinc/06/99/74/391069974.db2.gz GWSJSOOTJRTBJC-UHFFFAOYSA-N 1 2 291.326 1.102 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc2cccnc21 ZINC000414161677 391115135 /nfs/dbraw/zinc/11/51/35/391115135.db2.gz KLQIUGWYOXRRLX-CQSZACIVSA-N 1 2 285.347 1.820 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc2cccnc21 ZINC000414161677 391115138 /nfs/dbraw/zinc/11/51/38/391115138.db2.gz KLQIUGWYOXRRLX-CQSZACIVSA-N 1 2 285.347 1.820 20 30 CDEDLO N#CCC1(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000373818735 391133685 /nfs/dbraw/zinc/13/36/85/391133685.db2.gz IAHJGMCEALJWNM-CQSZACIVSA-N 1 2 291.395 1.440 20 30 CDEDLO N#CCC1(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000373818735 391133689 /nfs/dbraw/zinc/13/36/89/391133689.db2.gz IAHJGMCEALJWNM-CQSZACIVSA-N 1 2 291.395 1.440 20 30 CDEDLO N#CCCN(CCc1cccnc1)CC[NH+]1CCOCC1 ZINC000176265605 391149879 /nfs/dbraw/zinc/14/98/79/391149879.db2.gz KCJDZQJYECUHTB-UHFFFAOYSA-N 1 2 288.395 1.172 20 30 CDEDLO N#CCC[N@@H+](CCc1cccnc1)CCN1CCOCC1 ZINC000176265605 391149883 /nfs/dbraw/zinc/14/98/83/391149883.db2.gz KCJDZQJYECUHTB-UHFFFAOYSA-N 1 2 288.395 1.172 20 30 CDEDLO N#CCC[N@H+](CCc1cccnc1)CCN1CCOCC1 ZINC000176265605 391149886 /nfs/dbraw/zinc/14/98/86/391149886.db2.gz KCJDZQJYECUHTB-UHFFFAOYSA-N 1 2 288.395 1.172 20 30 CDEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)CCn2cc[nH+]c2)C1 ZINC000265319567 391154540 /nfs/dbraw/zinc/15/45/40/391154540.db2.gz DDWJUVIWEGUYST-OCCSQVGLSA-N 1 2 260.341 1.862 20 30 CDEDLO C[C@@H](CC#N)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000353781171 533403396 /nfs/dbraw/zinc/40/33/96/533403396.db2.gz WKSRSLMYRPQDAY-ZDUSSCGKSA-N 1 2 282.347 1.892 20 30 CDEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@H](C#N)c2ccc(Cl)cc2)C1 ZINC000266826343 391181578 /nfs/dbraw/zinc/18/15/78/391181578.db2.gz JXDVHLFYIJMIRN-OLZOCXBDSA-N 1 2 293.754 1.351 20 30 CDEDLO C[N@H+]1CCO[C@H](C(=O)N[C@H](C#N)c2ccc(Cl)cc2)C1 ZINC000266826343 391181581 /nfs/dbraw/zinc/18/15/81/391181581.db2.gz JXDVHLFYIJMIRN-OLZOCXBDSA-N 1 2 293.754 1.351 20 30 CDEDLO COC[C@@](C)(C#N)NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000269607418 391252951 /nfs/dbraw/zinc/25/29/51/391252951.db2.gz QJCBRQFBCDEJQU-OAHLLOKOSA-N 1 2 286.335 1.390 20 30 CDEDLO N#CCCn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000366005679 391193499 /nfs/dbraw/zinc/19/34/99/391193499.db2.gz DSNXQQFYJHREQC-CQSZACIVSA-N 1 2 298.350 1.160 20 30 CDEDLO N#CCCn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000366005679 391193505 /nfs/dbraw/zinc/19/35/05/391193505.db2.gz DSNXQQFYJHREQC-CQSZACIVSA-N 1 2 298.350 1.160 20 30 CDEDLO Cn1c[nH+]cc1CN1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000375919027 391207561 /nfs/dbraw/zinc/20/75/61/391207561.db2.gz YMHHZRIBYKYQFK-CABCVRRESA-N 1 2 274.368 1.847 20 30 CDEDLO COCC[C@@H](C)O[NH+]=C(N)Cc1csc(C)n1 ZINC000267982691 391208100 /nfs/dbraw/zinc/20/81/00/391208100.db2.gz GWXSNENDHXCXIO-MRVPVSSYSA-N 1 2 257.359 1.708 20 30 CDEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)[C@@H](C)C#N ZINC000416525085 391315245 /nfs/dbraw/zinc/31/52/45/391315245.db2.gz NEWFPUAGFSIUGJ-RYUDHWBXSA-N 1 2 296.396 1.672 20 30 CDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccno1 ZINC000268346222 391329784 /nfs/dbraw/zinc/32/97/84/391329784.db2.gz QHLHPADYZGNANA-NSHDSACASA-N 1 2 284.323 1.047 20 30 CDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccno1 ZINC000268346222 391329788 /nfs/dbraw/zinc/32/97/88/391329788.db2.gz QHLHPADYZGNANA-NSHDSACASA-N 1 2 284.323 1.047 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000339752588 391345929 /nfs/dbraw/zinc/34/59/29/391345929.db2.gz LISXRPNZVHPUJJ-UHFFFAOYSA-N 1 2 275.308 1.513 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000339752588 391345933 /nfs/dbraw/zinc/34/59/33/391345933.db2.gz LISXRPNZVHPUJJ-UHFFFAOYSA-N 1 2 275.308 1.513 20 30 CDEDLO CCO[C@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)C1=CCCC1 ZINC000521442766 391429307 /nfs/dbraw/zinc/42/93/07/391429307.db2.gz QLNSMBSRPKVOGI-GDBMZVCRSA-N 1 2 293.411 1.852 20 30 CDEDLO Cc1noc([C@H](C)NC(=O)Nc2cc[nH+]c(C)c2)n1 ZINC000330566445 391447893 /nfs/dbraw/zinc/44/78/93/391447893.db2.gz CJUVIUXCVUBCCF-QMMMGPOBSA-N 1 2 261.285 1.590 20 30 CDEDLO Cc1nc(NCc2cccc(C(=O)NCC#N)c2)cc[nH+]1 ZINC000348734419 391452139 /nfs/dbraw/zinc/45/21/39/391452139.db2.gz IUHWALYNVOINMQ-UHFFFAOYSA-N 1 2 281.319 1.072 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(N(C)C)nc1 ZINC000330622533 391460899 /nfs/dbraw/zinc/46/08/99/391460899.db2.gz OANZZEVEBWVNAJ-GFCCVEGCSA-N 1 2 292.383 1.173 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(N(C)C)nc1 ZINC000330622533 391460902 /nfs/dbraw/zinc/46/09/02/391460902.db2.gz OANZZEVEBWVNAJ-GFCCVEGCSA-N 1 2 292.383 1.173 20 30 CDEDLO C#C[C@@H](NC(=O)C1([NH+]2CCOCC2)CCC1)C(C)C ZINC000367169803 391415243 /nfs/dbraw/zinc/41/52/43/391415243.db2.gz BDYSXJYQTZKIJR-CYBMUJFWSA-N 1 2 264.369 1.015 20 30 CDEDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc(C#N)nc3)CC2)S1 ZINC000267324412 391415803 /nfs/dbraw/zinc/41/58/03/391415803.db2.gz ATFWOLQKNBLRHM-NSHDSACASA-N 1 2 287.392 1.567 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccon1 ZINC000349238544 391538376 /nfs/dbraw/zinc/53/83/76/391538376.db2.gz KHFWGJKLEVQSSN-UHIISALHSA-N 1 2 278.356 1.768 20 30 CDEDLO C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccon1 ZINC000349251406 391539530 /nfs/dbraw/zinc/53/95/30/391539530.db2.gz RAEIWDYQMGNLMH-ZANVPECISA-N 1 2 262.313 1.134 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCc2occc2C1 ZINC000367321593 391560898 /nfs/dbraw/zinc/56/08/98/391560898.db2.gz IEJVZAAMLBGNKW-UHFFFAOYSA-N 1 2 277.324 1.040 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCc2occc2C1 ZINC000367321593 391560902 /nfs/dbraw/zinc/56/09/02/391560902.db2.gz IEJVZAAMLBGNKW-UHFFFAOYSA-N 1 2 277.324 1.040 20 30 CDEDLO C[C@@H](Nc1ncc(C#N)cc1F)[C@H](C)[NH+]1CCOCC1 ZINC000413121759 391589562 /nfs/dbraw/zinc/58/95/62/391589562.db2.gz HRZRMTPMCTZFMB-MNOVXSKESA-N 1 2 278.331 1.613 20 30 CDEDLO C=CCNC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360182823 391646309 /nfs/dbraw/zinc/64/63/09/391646309.db2.gz AWHYBZZRQZTTGG-UHFFFAOYSA-N 1 2 256.309 1.858 20 30 CDEDLO C=CCOC[C@H]([NH2+]C1CCC(C)CC1)C(=O)OC ZINC000361112870 391683479 /nfs/dbraw/zinc/68/34/79/391683479.db2.gz JXZPSYHBNQURTP-BPCQOVAHSA-N 1 2 255.358 1.899 20 30 CDEDLO CC[C@@H]1CCC[C@@H]1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000329777155 391777168 /nfs/dbraw/zinc/77/71/68/391777168.db2.gz OSGGEMICFIVQFR-AGIUHOORSA-N 1 2 269.389 1.399 20 30 CDEDLO CC[C@@H]1CCC[C@@H]1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000329777155 391777172 /nfs/dbraw/zinc/77/71/72/391777172.db2.gz OSGGEMICFIVQFR-AGIUHOORSA-N 1 2 269.389 1.399 20 30 CDEDLO COC(=O)C[N@H+](Cc1cc(C#N)n(C)c1)C1CCCC1 ZINC000191410707 130233171 /nfs/dbraw/zinc/23/31/71/130233171.db2.gz ZMXJZDLQDCSVST-UHFFFAOYSA-N 1 2 275.352 1.814 20 30 CDEDLO COC(=O)C[N@@H+](Cc1cc(C#N)n(C)c1)C1CCCC1 ZINC000191410707 130233173 /nfs/dbraw/zinc/23/31/73/130233173.db2.gz ZMXJZDLQDCSVST-UHFFFAOYSA-N 1 2 275.352 1.814 20 30 CDEDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191420542 130234044 /nfs/dbraw/zinc/23/40/44/130234044.db2.gz XMVRHECQGREZKM-LLVKDONJSA-N 1 2 263.341 1.669 20 30 CDEDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191420542 130234046 /nfs/dbraw/zinc/23/40/46/130234046.db2.gz XMVRHECQGREZKM-LLVKDONJSA-N 1 2 263.341 1.669 20 30 CDEDLO O=C(NC[C@@H]1CC[C@H](O)C1)NC[C@H]1CCCn2cc[nH+]c21 ZINC000329929553 391801716 /nfs/dbraw/zinc/80/17/16/391801716.db2.gz NPBKCOSLENIFPY-UPJWGTAASA-N 1 2 292.383 1.425 20 30 CDEDLO O=C(C[C@H]1CCCCO1)NCC1([NH+]2CCOCC2)CC1 ZINC000329873957 391793001 /nfs/dbraw/zinc/79/30/01/391793001.db2.gz CNSJMTQADRKMLO-CYBMUJFWSA-N 1 2 282.384 1.767 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(Cl)cn3)C[C@H]21 ZINC000329920400 391799574 /nfs/dbraw/zinc/79/95/74/391799574.db2.gz DYBLOLWHPBWHFS-MNOVXSKESA-N 1 2 296.758 1.295 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(Cl)cn3)C[C@H]21 ZINC000329920400 391799577 /nfs/dbraw/zinc/79/95/77/391799577.db2.gz DYBLOLWHPBWHFS-MNOVXSKESA-N 1 2 296.758 1.295 20 30 CDEDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000496639532 391925536 /nfs/dbraw/zinc/92/55/36/391925536.db2.gz JWPHMVWBBGSREO-AWEZNQCLSA-N 1 2 288.351 1.664 20 30 CDEDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000496639532 391925538 /nfs/dbraw/zinc/92/55/38/391925538.db2.gz JWPHMVWBBGSREO-AWEZNQCLSA-N 1 2 288.351 1.664 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccsc1C(=O)OC ZINC000266902753 392092492 /nfs/dbraw/zinc/09/24/92/392092492.db2.gz HCAIIRHBWFNDSD-UHFFFAOYSA-N 1 2 280.349 1.428 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccsc1C(=O)OC ZINC000266902753 392092503 /nfs/dbraw/zinc/09/25/03/392092503.db2.gz HCAIIRHBWFNDSD-UHFFFAOYSA-N 1 2 280.349 1.428 20 30 CDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc(C#N)c3)C[C@@H]21 ZINC000152346917 392366637 /nfs/dbraw/zinc/36/66/37/392366637.db2.gz SHNGBWPVGGBBMN-UONOGXRCSA-N 1 2 286.335 1.105 20 30 CDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc(C#N)c3)C[C@@H]21 ZINC000152346917 392366641 /nfs/dbraw/zinc/36/66/41/392366641.db2.gz SHNGBWPVGGBBMN-UONOGXRCSA-N 1 2 286.335 1.105 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488165791 392529691 /nfs/dbraw/zinc/52/96/91/392529691.db2.gz IDQOVRLWIIADRN-HNNXBMFYSA-N 1 2 271.364 1.967 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488165791 392529699 /nfs/dbraw/zinc/52/96/99/392529699.db2.gz IDQOVRLWIIADRN-HNNXBMFYSA-N 1 2 271.364 1.967 20 30 CDEDLO Cc1nn(C)cc1C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000459616088 392492025 /nfs/dbraw/zinc/49/20/25/392492025.db2.gz QBEDXXZEMYLFHS-UHFFFAOYSA-N 1 2 282.347 1.863 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000491769891 392571455 /nfs/dbraw/zinc/57/14/55/392571455.db2.gz OMFPFIMSXKRILP-OAHLLOKOSA-N 1 2 283.331 1.221 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000491769891 392571457 /nfs/dbraw/zinc/57/14/57/392571457.db2.gz OMFPFIMSXKRILP-OAHLLOKOSA-N 1 2 283.331 1.221 20 30 CDEDLO N#Cc1cccc(/C=C/C(=O)NCCn2cc[nH+]c2)c1 ZINC000075511657 392817058 /nfs/dbraw/zinc/81/70/58/392817058.db2.gz LQSKTZXNCXOYTP-SNAWJCMRSA-N 1 2 266.304 1.584 20 30 CDEDLO CC(=O)NCC[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000520806165 392859351 /nfs/dbraw/zinc/85/93/51/392859351.db2.gz FHOPQUAPHZZIMH-UHFFFAOYSA-N 1 2 265.744 1.780 20 30 CDEDLO CC(=O)NCC[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000520806165 392859356 /nfs/dbraw/zinc/85/93/56/392859356.db2.gz FHOPQUAPHZZIMH-UHFFFAOYSA-N 1 2 265.744 1.780 20 30 CDEDLO Cc1cc(C[N@@H+]2CCc3nn[nH]c3C2)ccc1C#N ZINC000489012673 392865111 /nfs/dbraw/zinc/86/51/11/392865111.db2.gz HBPLVESYWJYTDM-UHFFFAOYSA-N 1 2 253.309 1.543 20 30 CDEDLO Cc1cc(C[N@H+]2CCc3nn[nH]c3C2)ccc1C#N ZINC000489012673 392865117 /nfs/dbraw/zinc/86/51/17/392865117.db2.gz HBPLVESYWJYTDM-UHFFFAOYSA-N 1 2 253.309 1.543 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)n(C)n1 ZINC000417705037 392872860 /nfs/dbraw/zinc/87/28/60/392872860.db2.gz RVUUHPKLJGOIBB-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO Cc1cc(N2CCC(Cn3cncn3)CC2)c(C#N)c[nH+]1 ZINC000425245126 393003697 /nfs/dbraw/zinc/00/36/97/393003697.db2.gz TYWWPYKSAAXRBO-UHFFFAOYSA-N 1 2 282.351 1.770 20 30 CDEDLO CO[C@@H]1COCC[C@@H]1CNc1cc(C)[nH+]cc1C#N ZINC000425268763 393010730 /nfs/dbraw/zinc/01/07/30/393010730.db2.gz PRCWLZDPEHXSMP-BXUZGUMPSA-N 1 2 261.325 1.147 20 30 CDEDLO C=CCCC(C)(C)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000664080528 413067127 /nfs/dbraw/zinc/06/71/27/413067127.db2.gz SVJPLKPHOHJVCY-CYBMUJFWSA-N 1 2 282.432 1.276 20 30 CDEDLO C=CCCC(C)(C)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000664080528 413067135 /nfs/dbraw/zinc/06/71/35/413067135.db2.gz SVJPLKPHOHJVCY-CYBMUJFWSA-N 1 2 282.432 1.276 20 30 CDEDLO N#CCCC1CC[NH+](Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000584348612 397649557 /nfs/dbraw/zinc/64/95/57/397649557.db2.gz ARICHOSCBMBOHC-UHFFFAOYSA-N 1 2 285.351 1.538 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000305720430 149145148 /nfs/dbraw/zinc/14/51/48/149145148.db2.gz JNCBXCLQKMSJCT-FZMZJTMJSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000305720430 149145150 /nfs/dbraw/zinc/14/51/50/149145150.db2.gz JNCBXCLQKMSJCT-FZMZJTMJSA-N 1 2 276.336 1.148 20 30 CDEDLO N#Cc1cc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)c[nH]1 ZINC000334186877 149339100 /nfs/dbraw/zinc/33/91/00/149339100.db2.gz GYGPYGQIBFXXCH-HNNXBMFYSA-N 1 2 298.321 1.812 20 30 CDEDLO N#Cc1cccc(F)c1CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000334241575 149385572 /nfs/dbraw/zinc/38/55/72/149385572.db2.gz NNUQHFGDNFZOPV-LLVKDONJSA-N 1 2 298.321 1.637 20 30 CDEDLO N#Cc1cccc(F)c1CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000334241575 149385575 /nfs/dbraw/zinc/38/55/75/149385575.db2.gz NNUQHFGDNFZOPV-LLVKDONJSA-N 1 2 298.321 1.637 20 30 CDEDLO CCCC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343957009 152369907 /nfs/dbraw/zinc/36/99/07/152369907.db2.gz HWIJTYPYRPASIE-UHFFFAOYSA-N 1 2 281.381 1.459 20 30 CDEDLO CCCC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343957009 152369911 /nfs/dbraw/zinc/36/99/11/152369911.db2.gz HWIJTYPYRPASIE-UHFFFAOYSA-N 1 2 281.381 1.459 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@H]2CCCC2(F)F)nn1 ZINC000656463250 413298265 /nfs/dbraw/zinc/29/82/65/413298265.db2.gz LWBHVHIUYGCMTC-LLVKDONJSA-N 1 2 268.311 1.826 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)COc1ccc(C#N)cc1 ZINC000359515482 158272417 /nfs/dbraw/zinc/27/24/17/158272417.db2.gz KATYORIVHTURIV-UHFFFAOYSA-N 1 2 270.292 1.285 20 30 CDEDLO C=CCCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661092667 413785376 /nfs/dbraw/zinc/78/53/76/413785376.db2.gz XOEUFYCWIQWJLV-CYBMUJFWSA-N 1 2 267.373 1.069 20 30 CDEDLO C=CC[N@H+](Cc1nc([C@H](C)OC)no1)[C@H](C)COC ZINC000661243910 413917547 /nfs/dbraw/zinc/91/75/47/413917547.db2.gz PMLFDGOUXDUOLM-MNOVXSKESA-N 1 2 269.345 1.800 20 30 CDEDLO C=CC[N@@H+](Cc1nc([C@H](C)OC)no1)[C@H](C)COC ZINC000661243910 413917550 /nfs/dbraw/zinc/91/75/50/413917550.db2.gz PMLFDGOUXDUOLM-MNOVXSKESA-N 1 2 269.345 1.800 20 30 CDEDLO C=CCCn1cc(CNc2[nH+]cccc2OC)nn1 ZINC000657421650 414310524 /nfs/dbraw/zinc/31/05/24/414310524.db2.gz QDJCGDMZXBDSBC-UHFFFAOYSA-N 1 2 259.313 1.870 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000662167920 414547928 /nfs/dbraw/zinc/54/79/28/414547928.db2.gz RTJHNHVAXMLMGJ-LLVKDONJSA-N 1 2 275.308 1.382 20 30 CDEDLO Cn1cc([C@H]2C[N@H+](CCC(C)(C)C#N)C[C@H]2CO)cn1 ZINC000347121365 226033821 /nfs/dbraw/zinc/03/38/21/226033821.db2.gz LVZMHJMQXDXCBG-UONOGXRCSA-N 1 2 276.384 1.368 20 30 CDEDLO Cn1cc([C@H]2C[N@@H+](CCC(C)(C)C#N)C[C@H]2CO)cn1 ZINC000347121365 226033826 /nfs/dbraw/zinc/03/38/26/226033826.db2.gz LVZMHJMQXDXCBG-UONOGXRCSA-N 1 2 276.384 1.368 20 30 CDEDLO COc1ccc(C[N@H+](CCO)CC2(C#N)CC2)c(OC)c1 ZINC000347448729 226164457 /nfs/dbraw/zinc/16/44/57/226164457.db2.gz ADYYQIJXNCLTOO-UHFFFAOYSA-N 1 2 290.363 1.802 20 30 CDEDLO COc1ccc(C[N@@H+](CCO)CC2(C#N)CC2)c(OC)c1 ZINC000347448729 226164462 /nfs/dbraw/zinc/16/44/62/226164462.db2.gz ADYYQIJXNCLTOO-UHFFFAOYSA-N 1 2 290.363 1.802 20 30 CDEDLO C=CCC[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(=O)OCC ZINC000521897549 260224777 /nfs/dbraw/zinc/22/47/77/260224777.db2.gz FYSKDRHWWWWZIR-WCQYABFASA-N 1 2 293.367 1.602 20 30 CDEDLO C=CCC[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(=O)OCC ZINC000521897549 260224778 /nfs/dbraw/zinc/22/47/78/260224778.db2.gz FYSKDRHWWWWZIR-WCQYABFASA-N 1 2 293.367 1.602 20 30 CDEDLO COc1ccc(CCO[NH+]=C(N)C(C)(C)NC(C)=O)cc1 ZINC000123259422 260730008 /nfs/dbraw/zinc/73/00/08/260730008.db2.gz STHLVWMZOKCPCY-UHFFFAOYSA-N 1 2 293.367 1.441 20 30 CDEDLO C=CCCCNC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000448381125 261135639 /nfs/dbraw/zinc/13/56/39/261135639.db2.gz IOQRTFLDONITQZ-ZDUSSCGKSA-N 1 2 269.389 1.363 20 30 CDEDLO C=CCCCNC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000448381125 261135641 /nfs/dbraw/zinc/13/56/41/261135641.db2.gz IOQRTFLDONITQZ-ZDUSSCGKSA-N 1 2 269.389 1.363 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000491277653 261398099 /nfs/dbraw/zinc/39/80/99/261398099.db2.gz PLDPWMBDOUNHFM-RWMBFGLXSA-N 1 2 264.369 1.313 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000491277653 261398102 /nfs/dbraw/zinc/39/81/02/261398102.db2.gz PLDPWMBDOUNHFM-RWMBFGLXSA-N 1 2 264.369 1.313 20 30 CDEDLO COCCCCO[NH+]=C(N)COc1cccc(F)c1 ZINC000186828991 262111383 /nfs/dbraw/zinc/11/13/83/262111383.db2.gz COWFKTDRFLLCBU-UHFFFAOYSA-N 1 2 270.304 1.920 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C\c1cccc(C#N)c1 ZINC000216434405 262567806 /nfs/dbraw/zinc/56/78/06/262567806.db2.gz GKOQZDJUEMGRNM-WAYWQWQTSA-N 1 2 266.304 1.953 20 30 CDEDLO Cc1ccc(NC(=O)C(=O)N(C)C[C@@H](C)C#N)c(C)[nH+]1 ZINC000275680942 263033884 /nfs/dbraw/zinc/03/38/84/263033884.db2.gz KZTDVTYZYNYRNE-VIFPVBQESA-N 1 2 274.324 1.255 20 30 CDEDLO NC(=[NH+]OCc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCO1 ZINC000284499785 263087214 /nfs/dbraw/zinc/08/72/14/263087214.db2.gz SUUNFBMKVMCIFF-LLVKDONJSA-N 1 2 283.259 1.702 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)N1CCC(C#N)CC1 ZINC000294423822 263161378 /nfs/dbraw/zinc/16/13/78/263161378.db2.gz YWTQHLWGKMSZDI-UHFFFAOYSA-N 1 2 274.324 1.535 20 30 CDEDLO N#CCN1CC[NH+](Cc2cccc(O)c2Cl)CC1 ZINC000295380964 263176710 /nfs/dbraw/zinc/17/67/10/263176710.db2.gz PEBBOXKEWDQKMK-UHFFFAOYSA-N 1 2 265.744 1.687 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000121429085 263295519 /nfs/dbraw/zinc/29/55/19/263295519.db2.gz OVUJFHUCCLGGPD-UHFFFAOYSA-N 1 2 263.297 1.960 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000121429085 263295521 /nfs/dbraw/zinc/29/55/21/263295521.db2.gz OVUJFHUCCLGGPD-UHFFFAOYSA-N 1 2 263.297 1.960 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000331135370 264134727 /nfs/dbraw/zinc/13/47/27/264134727.db2.gz KLRGAPSABNXFEP-LBPRGKRZSA-N 1 2 267.373 1.248 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000331135370 264134729 /nfs/dbraw/zinc/13/47/29/264134729.db2.gz KLRGAPSABNXFEP-LBPRGKRZSA-N 1 2 267.373 1.248 20 30 CDEDLO CC[C@]1(C)C[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CCO1 ZINC000331275117 264170596 /nfs/dbraw/zinc/17/05/96/264170596.db2.gz NKRZGRHWXOXSPT-IMJJTQAJSA-N 1 2 295.427 1.930 20 30 CDEDLO CC[C@]1(C)C[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CCO1 ZINC000331275117 264170597 /nfs/dbraw/zinc/17/05/97/264170597.db2.gz NKRZGRHWXOXSPT-IMJJTQAJSA-N 1 2 295.427 1.930 20 30 CDEDLO CNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000331332241 264192131 /nfs/dbraw/zinc/19/21/31/264192131.db2.gz IAUAXYKXVTVLRB-VIFPVBQESA-N 1 2 295.387 1.188 20 30 CDEDLO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000331332241 264192132 /nfs/dbraw/zinc/19/21/32/264192132.db2.gz IAUAXYKXVTVLRB-VIFPVBQESA-N 1 2 295.387 1.188 20 30 CDEDLO Cc1cc(C)c(NC(=O)NC[C@H](C)CO)c(C)[nH+]1 ZINC000331307125 264200965 /nfs/dbraw/zinc/20/09/65/264200965.db2.gz GJUBABCLEHKZII-QMMMGPOBSA-N 1 2 251.330 1.961 20 30 CDEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc(C(=O)OCC)no1 ZINC000331349561 264205823 /nfs/dbraw/zinc/20/58/23/264205823.db2.gz NLRGUEBRZBJVFC-JTQLQIEISA-N 1 2 265.313 1.787 20 30 CDEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc(C(=O)OCC)no1 ZINC000331349561 264205824 /nfs/dbraw/zinc/20/58/24/264205824.db2.gz NLRGUEBRZBJVFC-JTQLQIEISA-N 1 2 265.313 1.787 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000356636056 266151968 /nfs/dbraw/zinc/15/19/68/266151968.db2.gz SZEQXQFDTYSGEZ-LBPRGKRZSA-N 1 2 287.363 1.796 20 30 CDEDLO C=C[C@@H](CO)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000356871535 266200439 /nfs/dbraw/zinc/20/04/39/266200439.db2.gz IXQSUYBACNUAFA-AWEZNQCLSA-N 1 2 285.347 1.137 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N(CCC#N)Cc1ccccn1 ZINC000357591565 266332154 /nfs/dbraw/zinc/33/21/54/266332154.db2.gz BLTAFVKQOOJWBH-UHFFFAOYSA-N 1 2 297.362 1.690 20 30 CDEDLO CCNC(=O)C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000369803280 267268081 /nfs/dbraw/zinc/26/80/81/267268081.db2.gz KPYUAJKKZPSXGC-CABCVRRESA-N 1 2 271.364 1.894 20 30 CDEDLO CCNC(=O)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000369803280 267268083 /nfs/dbraw/zinc/26/80/83/267268083.db2.gz KPYUAJKKZPSXGC-CABCVRRESA-N 1 2 271.364 1.894 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352468225 280104053 /nfs/dbraw/zinc/10/40/53/280104053.db2.gz PSWUAXIFSYTZSK-GXTWGEPZSA-N 1 2 294.374 1.757 20 30 CDEDLO Cc1nnc([C@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)cc2)o1 ZINC000543547184 289598374 /nfs/dbraw/zinc/59/83/74/289598374.db2.gz CXEMLJLUSQVOQM-JTQLQIEISA-N 1 2 299.334 1.929 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)s1 ZINC000548887074 289943514 /nfs/dbraw/zinc/94/35/14/289943514.db2.gz CSFFHJDNNGKLPL-ZDUSSCGKSA-N 1 2 298.371 1.801 20 30 CDEDLO Cn1cc[nH+]c1[C@H](Nc1ccc(C#N)cn1)C1CC1 ZINC000557697726 290365033 /nfs/dbraw/zinc/36/50/33/290365033.db2.gz MDMYBXUUMHBSSL-CYBMUJFWSA-N 1 2 253.309 1.672 20 30 CDEDLO N#Cc1cc(NCc2ccn3cc[nH+]c3c2)ncn1 ZINC000574895009 295072050 /nfs/dbraw/zinc/07/20/50/295072050.db2.gz PSJFNHYLXVRTAT-UHFFFAOYSA-N 1 2 250.265 1.030 20 30 CDEDLO NC(=O)[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000131858914 295105247 /nfs/dbraw/zinc/10/52/47/295105247.db2.gz JCDVQIMPCVUVEO-AWEZNQCLSA-N 1 2 260.312 1.517 20 30 CDEDLO NC(=O)[C@@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000131858914 295105251 /nfs/dbraw/zinc/10/52/51/295105251.db2.gz JCDVQIMPCVUVEO-AWEZNQCLSA-N 1 2 260.312 1.517 20 30 CDEDLO Cc1cc(N2CC[S@@](=O)C[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000333538467 301342944 /nfs/dbraw/zinc/34/29/44/301342944.db2.gz ZLPYYSRXKUYBNM-XTZNXHDOSA-N 1 2 263.366 1.467 20 30 CDEDLO N#CC1(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)CC1 ZINC000352687116 303142219 /nfs/dbraw/zinc/14/22/19/303142219.db2.gz URSNETGEPGGPEV-ZJUUUORDSA-N 1 2 262.275 1.783 20 30 CDEDLO N#CC1(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)CC1 ZINC000352687116 303142223 /nfs/dbraw/zinc/14/22/23/303142223.db2.gz URSNETGEPGGPEV-ZJUUUORDSA-N 1 2 262.275 1.783 20 30 CDEDLO CC(C)[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1COC1 ZINC000331964751 328005179 /nfs/dbraw/zinc/00/51/79/328005179.db2.gz AQOBTLPNWHGKPA-AWEZNQCLSA-N 1 2 267.373 1.150 20 30 CDEDLO CC(C)[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1COC1 ZINC000331964751 328005181 /nfs/dbraw/zinc/00/51/81/328005181.db2.gz AQOBTLPNWHGKPA-AWEZNQCLSA-N 1 2 267.373 1.150 20 30 CDEDLO C#CCCCO[NH+]=C(N)c1ccc(OC)c(OC)c1 ZINC000270971222 328194275 /nfs/dbraw/zinc/19/42/75/328194275.db2.gz ZYRLCQZJRYWUOY-UHFFFAOYSA-N 1 2 262.309 1.754 20 30 CDEDLO NC(=[NH+]OCCc1ccc2c(c1)CCO2)[C@H]1CCCO1 ZINC000284453219 328245846 /nfs/dbraw/zinc/24/58/46/328245846.db2.gz QEQJRPDQUFSIDA-CQSZACIVSA-N 1 2 276.336 1.632 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCC[N@@H+]1CCO[C@H](C)C1)OCC ZINC000535125158 328388909 /nfs/dbraw/zinc/38/89/09/328388909.db2.gz LOPCYIBKAXTKFI-ZIAGYGMSSA-N 1 2 284.400 1.195 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCC[N@H+]1CCO[C@H](C)C1)OCC ZINC000535125158 328388911 /nfs/dbraw/zinc/38/89/11/328388911.db2.gz LOPCYIBKAXTKFI-ZIAGYGMSSA-N 1 2 284.400 1.195 20 30 CDEDLO C=C[C@H](CC(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000122030086 328389758 /nfs/dbraw/zinc/38/97/58/328389758.db2.gz NIXXQRZDFZMBGS-OAHLLOKOSA-N 1 2 288.391 1.795 20 30 CDEDLO CCC[N@H+](CC(=O)N(C)C)Cc1ccc(C#N)cn1 ZINC000582941434 325073338 /nfs/dbraw/zinc/07/33/38/325073338.db2.gz VYEUOTIUFLFJBE-UHFFFAOYSA-N 1 2 260.341 1.253 20 30 CDEDLO CCC[N@@H+](CC(=O)N(C)C)Cc1ccc(C#N)cn1 ZINC000582941434 325073340 /nfs/dbraw/zinc/07/33/40/325073340.db2.gz VYEUOTIUFLFJBE-UHFFFAOYSA-N 1 2 260.341 1.253 20 30 CDEDLO CCOCC[NH+]1CCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000110921375 327038140 /nfs/dbraw/zinc/03/81/40/327038140.db2.gz ZNYZXIZGZLLETH-UHFFFAOYSA-N 1 2 293.411 1.641 20 30 CDEDLO N#CCC[NH2+][C@H]1CCCN(c2ccccc2F)C1=O ZINC000570564126 327600550 /nfs/dbraw/zinc/60/05/50/327600550.db2.gz HXCFDCBBSKXOHL-LBPRGKRZSA-N 1 2 261.300 1.824 20 30 CDEDLO C=CC[C@H](C)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000172133478 329081601 /nfs/dbraw/zinc/08/16/01/329081601.db2.gz KYBODJGFIXUXTC-LBPRGKRZSA-N 1 2 269.389 1.361 20 30 CDEDLO C=CC[C@H](C)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000172133478 329081602 /nfs/dbraw/zinc/08/16/02/329081602.db2.gz KYBODJGFIXUXTC-LBPRGKRZSA-N 1 2 269.389 1.361 20 30 CDEDLO CC[C@H](CC#N)[NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000582496081 329101181 /nfs/dbraw/zinc/10/11/81/329101181.db2.gz WZMWUQOIEBYREA-HIFRSBDPSA-N 1 2 282.347 1.945 20 30 CDEDLO Cc1[nH]ccc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000175970444 329173139 /nfs/dbraw/zinc/17/31/39/329173139.db2.gz CMZOUJVGYZBFNZ-UHFFFAOYSA-N 1 2 290.367 1.011 20 30 CDEDLO Cc1ccc(NC(=O)C(=O)N(CCC#N)C(C)C)c(C)[nH+]1 ZINC000527104134 329695646 /nfs/dbraw/zinc/69/56/46/329695646.db2.gz QBGIHZUTHSQBIJ-UHFFFAOYSA-N 1 2 288.351 1.788 20 30 CDEDLO C[C@@H](C#N)CNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000571732299 329915892 /nfs/dbraw/zinc/91/58/92/329915892.db2.gz MIHGIUOLZVKUEX-ZDUSSCGKSA-N 1 2 282.347 1.750 20 30 CDEDLO COCCC[C@@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000572125298 329946570 /nfs/dbraw/zinc/94/65/70/329946570.db2.gz WGKAWKVNQMQJQO-DGCLKSJQSA-N 1 2 255.362 1.009 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(C#N)s1 ZINC000572410215 330062958 /nfs/dbraw/zinc/06/29/58/330062958.db2.gz SGFJFFDFUZLKAC-GFCCVEGCSA-N 1 2 262.338 1.193 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2c[nH]nc2C(C)(C)C)nn1 ZINC000424167546 330309947 /nfs/dbraw/zinc/30/99/47/330309947.db2.gz CQNWKHKPJNJYBZ-UHFFFAOYSA-N 1 2 274.372 1.775 20 30 CDEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccncc2F)nn1 ZINC000424300863 330337544 /nfs/dbraw/zinc/33/75/44/330337544.db2.gz YONJLXRIXDMDGE-SNVBAGLBSA-N 1 2 261.304 1.849 20 30 CDEDLO COc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccc1C ZINC000515542064 330479232 /nfs/dbraw/zinc/47/92/32/330479232.db2.gz SHYWJFWBZVUGFI-OAHLLOKOSA-N 1 2 275.352 1.577 20 30 CDEDLO CC(C)OCC[NH+]1CCN(C(=O)[C@]2(C#N)C[C@H]2C)CC1 ZINC000450014097 330958668 /nfs/dbraw/zinc/95/86/68/330958668.db2.gz AGGGPIQXLAMJKU-HIFRSBDPSA-N 1 2 279.384 1.105 20 30 CDEDLO CCOC(=O)C1CCC(O)(C[NH+]2CC(C)(C#N)C2)CC1 ZINC000453029760 331084186 /nfs/dbraw/zinc/08/41/86/331084186.db2.gz XVNUXYSFGWRDEF-UHFFFAOYSA-N 1 2 280.368 1.316 20 30 CDEDLO C=C(CC)CNC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000455532075 331172548 /nfs/dbraw/zinc/17/25/48/331172548.db2.gz IXLBNZIYIZGPSZ-ZDUSSCGKSA-N 1 2 291.399 1.764 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456436520 331192609 /nfs/dbraw/zinc/19/26/09/331192609.db2.gz WJQUPOFJBLBHGT-QNWHQSFQSA-N 1 2 275.352 1.986 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000456758342 331200614 /nfs/dbraw/zinc/20/06/14/331200614.db2.gz PQBQFJIIBWIUSC-AWEZNQCLSA-N 1 2 285.347 1.929 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000458804604 331260203 /nfs/dbraw/zinc/26/02/03/331260203.db2.gz XROLZJAOKMZFRL-ZDUSSCGKSA-N 1 2 294.399 1.041 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000458804604 331260204 /nfs/dbraw/zinc/26/02/04/331260204.db2.gz XROLZJAOKMZFRL-ZDUSSCGKSA-N 1 2 294.399 1.041 20 30 CDEDLO C=C(CC)CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000459085234 331269902 /nfs/dbraw/zinc/26/99/02/331269902.db2.gz IAPJWRWKRQJSDE-BETUJISGSA-N 1 2 267.373 1.115 20 30 CDEDLO C=C(CC)CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000459085234 331269903 /nfs/dbraw/zinc/26/99/03/331269903.db2.gz IAPJWRWKRQJSDE-BETUJISGSA-N 1 2 267.373 1.115 20 30 CDEDLO C=CCCCCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000488533881 332015898 /nfs/dbraw/zinc/01/58/98/332015898.db2.gz IXPDOSXLZRPHEW-GFCCVEGCSA-N 1 2 262.357 1.853 20 30 CDEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000488750506 332023974 /nfs/dbraw/zinc/02/39/74/332023974.db2.gz NUGWEFSRXQQFOD-CQSZACIVSA-N 1 2 289.379 1.221 20 30 CDEDLO C=CCn1cccc1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000488879076 332031646 /nfs/dbraw/zinc/03/16/46/332031646.db2.gz RKMUVCHDMHLYRK-KBPBESRZSA-N 1 2 291.395 1.513 20 30 CDEDLO CN(C)[C@H](C(=O)NCC(C)(C)CCC#N)c1c[nH+]cn1C ZINC000489902296 332072239 /nfs/dbraw/zinc/07/22/39/332072239.db2.gz ZCNMZCZNTBSXAY-ZDUSSCGKSA-N 1 2 291.399 1.469 20 30 CDEDLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)NCC#N ZINC000490066621 332079806 /nfs/dbraw/zinc/07/98/06/332079806.db2.gz LYUOQLKIOMEKDC-ZDUSSCGKSA-N 1 2 295.770 1.599 20 30 CDEDLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)NCC#N ZINC000490066621 332079808 /nfs/dbraw/zinc/07/98/08/332079808.db2.gz LYUOQLKIOMEKDC-ZDUSSCGKSA-N 1 2 295.770 1.599 20 30 CDEDLO C#CC[N@H+](CC)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000490779492 332114974 /nfs/dbraw/zinc/11/49/74/332114974.db2.gz XMRWYANYNKYDIN-UHFFFAOYSA-N 1 2 281.377 1.424 20 30 CDEDLO C#CC[N@@H+](CC)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000490779492 332114975 /nfs/dbraw/zinc/11/49/75/332114975.db2.gz XMRWYANYNKYDIN-UHFFFAOYSA-N 1 2 281.377 1.424 20 30 CDEDLO C#CC[N@@H+](CC#CC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000490865822 332122068 /nfs/dbraw/zinc/12/20/68/332122068.db2.gz IEKQLBILADOTCK-OAHLLOKOSA-N 1 2 272.304 1.587 20 30 CDEDLO C#CC[N@H+](CC#CC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000490865822 332122070 /nfs/dbraw/zinc/12/20/70/332122070.db2.gz IEKQLBILADOTCK-OAHLLOKOSA-N 1 2 272.304 1.587 20 30 CDEDLO C#CCN(CC#N)C(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000490961403 332133435 /nfs/dbraw/zinc/13/34/35/332133435.db2.gz GPPZZEJBSKJNED-UHFFFAOYSA-N 1 2 266.304 1.481 20 30 CDEDLO C#CCN(CC#N)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000490961904 332133561 /nfs/dbraw/zinc/13/35/61/332133561.db2.gz JWOVLDSIHTYBIX-UHFFFAOYSA-N 1 2 264.288 1.471 20 30 CDEDLO C#CCNC(=O)C1CC[NH+](Cc2ncc(Cl)n2C)CC1 ZINC000491203115 332165312 /nfs/dbraw/zinc/16/53/12/332165312.db2.gz SKWFLPQEWAJLFO-UHFFFAOYSA-N 1 2 294.786 1.035 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](O)COc1cc(C)ccc1C ZINC000491375929 332200401 /nfs/dbraw/zinc/20/04/01/332200401.db2.gz YAQZBJJPBGYDGR-HZPDHXFCSA-N 1 2 289.375 1.377 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](O)COc1cc(C)ccc1C ZINC000491375929 332200402 /nfs/dbraw/zinc/20/04/02/332200402.db2.gz YAQZBJJPBGYDGR-HZPDHXFCSA-N 1 2 289.375 1.377 20 30 CDEDLO C#C[C@H](CCC)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000491513506 332226319 /nfs/dbraw/zinc/22/63/19/332226319.db2.gz CLKKBFXJYKYZLK-GHMZBOCLSA-N 1 2 260.341 1.368 20 30 CDEDLO C#C[C@H](CCC)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000491513506 332226320 /nfs/dbraw/zinc/22/63/20/332226320.db2.gz CLKKBFXJYKYZLK-GHMZBOCLSA-N 1 2 260.341 1.368 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@](C)(c2ccccn2)CC1=O ZINC000491526065 332230439 /nfs/dbraw/zinc/23/04/39/332230439.db2.gz WVKVKMCFNWESRG-XJKSGUPXSA-N 1 2 271.364 1.483 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@](C)(c2ccccn2)CC1=O ZINC000491526065 332230441 /nfs/dbraw/zinc/23/04/41/332230441.db2.gz WVKVKMCFNWESRG-XJKSGUPXSA-N 1 2 271.364 1.483 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC000491546058 332235398 /nfs/dbraw/zinc/23/53/98/332235398.db2.gz UDIZUNXECPXGSI-UHFFFAOYSA-N 1 2 287.319 1.939 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC000491546058 332235399 /nfs/dbraw/zinc/23/53/99/332235399.db2.gz UDIZUNXECPXGSI-UHFFFAOYSA-N 1 2 287.319 1.939 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](O)COc1cccc(C)c1 ZINC000491619011 332245416 /nfs/dbraw/zinc/24/54/16/332245416.db2.gz FFRJXCRRHYBCIV-HUUCEWRRSA-N 1 2 275.348 1.069 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](O)COc1cccc(C)c1 ZINC000491619011 332245417 /nfs/dbraw/zinc/24/54/17/332245417.db2.gz FFRJXCRRHYBCIV-HUUCEWRRSA-N 1 2 275.348 1.069 20 30 CDEDLO C#C[C@H](CCC)NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000491652735 332265482 /nfs/dbraw/zinc/26/54/82/332265482.db2.gz MMHBTMZVWIPDQE-TUAOUCFPSA-N 1 2 260.341 1.990 20 30 CDEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C(C)C ZINC000491681281 332284732 /nfs/dbraw/zinc/28/47/32/332284732.db2.gz MFYJZXVFVKFSKD-GFCCVEGCSA-N 1 2 284.319 1.047 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C[C@@]2(CCc3ccccc32)C1=O ZINC000491689133 332286576 /nfs/dbraw/zinc/28/65/76/332286576.db2.gz GRBPHSBROMKOMI-FZKQIMNGSA-N 1 2 296.370 1.541 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C[C@@]2(CCc3ccccc32)C1=O ZINC000491689133 332286577 /nfs/dbraw/zinc/28/65/77/332286577.db2.gz GRBPHSBROMKOMI-FZKQIMNGSA-N 1 2 296.370 1.541 20 30 CDEDLO C#C[C@H](CCC)Nc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000491697424 332292215 /nfs/dbraw/zinc/29/22/15/332292215.db2.gz GKQKBKLBVYFFRF-LLVKDONJSA-N 1 2 293.334 1.819 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000491708894 332301234 /nfs/dbraw/zinc/30/12/34/332301234.db2.gz VGVLMQPYPKFIFI-ZDUSSCGKSA-N 1 2 260.293 1.471 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000491708894 332301235 /nfs/dbraw/zinc/30/12/35/332301235.db2.gz VGVLMQPYPKFIFI-ZDUSSCGKSA-N 1 2 260.293 1.471 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1=O ZINC000491739132 332318617 /nfs/dbraw/zinc/31/86/17/332318617.db2.gz XGNYTNLLKFNREA-WSGDXGOYSA-N 1 2 274.364 1.319 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1=O ZINC000491739132 332318619 /nfs/dbraw/zinc/31/86/19/332318619.db2.gz XGNYTNLLKFNREA-WSGDXGOYSA-N 1 2 274.364 1.319 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cc(F)ccc1F ZINC000491746761 332324290 /nfs/dbraw/zinc/32/42/90/332324290.db2.gz QUGGAUXWDFXVFM-SECBINFHSA-N 1 2 252.264 1.857 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(F)ccc1F ZINC000491746761 332324291 /nfs/dbraw/zinc/32/42/91/332324291.db2.gz QUGGAUXWDFXVFM-SECBINFHSA-N 1 2 252.264 1.857 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1 ZINC000491768175 332335697 /nfs/dbraw/zinc/33/56/97/332335697.db2.gz JUWWGHRMDOZNPI-CQSZACIVSA-N 1 2 258.321 1.349 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1 ZINC000491768175 332335698 /nfs/dbraw/zinc/33/56/98/332335698.db2.gz JUWWGHRMDOZNPI-CQSZACIVSA-N 1 2 258.321 1.349 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCCc1ccccc1OC)C1CC1 ZINC000491770970 332337501 /nfs/dbraw/zinc/33/75/01/332337501.db2.gz NNZKDWPHICKTDL-UHFFFAOYSA-N 1 2 286.375 1.452 20 30 CDEDLO C#CC[N@H+](CC(=O)NCCc1ccccc1OC)C1CC1 ZINC000491770970 332337503 /nfs/dbraw/zinc/33/75/03/332337503.db2.gz NNZKDWPHICKTDL-UHFFFAOYSA-N 1 2 286.375 1.452 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1sccc1C(=O)OCC ZINC000491775206 332340983 /nfs/dbraw/zinc/34/09/83/332340983.db2.gz WYEMHIIVUUEABV-JTQLQIEISA-N 1 2 294.376 1.817 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1sccc1C(=O)OCC ZINC000491775206 332340984 /nfs/dbraw/zinc/34/09/84/332340984.db2.gz WYEMHIIVUUEABV-JTQLQIEISA-N 1 2 294.376 1.817 20 30 CDEDLO C=CCSCCNC(=O)/C=C/c1[nH+]ccn1CC ZINC000492446116 332397762 /nfs/dbraw/zinc/39/77/62/332397762.db2.gz TVFNYJZPEWNTEM-AATRIKPKSA-N 1 2 265.382 1.952 20 30 CDEDLO N#CCOc1ccc(CNC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000492761820 332412482 /nfs/dbraw/zinc/41/24/82/332412482.db2.gz HCTSXGMWEQTTHV-ZZXKWVIFSA-N 1 2 282.303 1.642 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493203679 332430482 /nfs/dbraw/zinc/43/04/82/332430482.db2.gz IINOZEGYHBESCG-CESFYWBNSA-N 1 2 261.325 1.520 20 30 CDEDLO Cc1cnccc1/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000493399750 332438635 /nfs/dbraw/zinc/43/86/35/332438635.db2.gz ZNMSPYAXLMIQAB-LLYBFZRZSA-N 1 2 272.352 1.363 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000174529595 333001334 /nfs/dbraw/zinc/00/13/34/333001334.db2.gz DPJKZMZBRCPRMP-AWEZNQCLSA-N 1 2 286.350 1.914 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccc(Cl)s1 ZINC000517033641 333090479 /nfs/dbraw/zinc/09/04/79/333090479.db2.gz LBFGHIVFTVEDDP-GFCCVEGCSA-N 1 2 285.800 1.904 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000192231664 333233066 /nfs/dbraw/zinc/23/30/66/333233066.db2.gz GJAHWOXKFBULHS-UHFFFAOYSA-N 1 2 293.330 1.247 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000192231664 333233067 /nfs/dbraw/zinc/23/30/67/333233067.db2.gz GJAHWOXKFBULHS-UHFFFAOYSA-N 1 2 293.330 1.247 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)C2(C#N)CCCCC2)CCO1 ZINC000522268682 333277317 /nfs/dbraw/zinc/27/73/17/333277317.db2.gz PVKWSYOUBSBANW-ZDUSSCGKSA-N 1 2 279.384 1.297 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)C2(C#N)CCCCC2)CCO1 ZINC000522268682 333277318 /nfs/dbraw/zinc/27/73/18/333277318.db2.gz PVKWSYOUBSBANW-ZDUSSCGKSA-N 1 2 279.384 1.297 20 30 CDEDLO CC[C@H](OC1CCCC1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000567592996 333311129 /nfs/dbraw/zinc/31/11/29/333311129.db2.gz NETKXGIGIMTHKJ-ZFWWWQNUSA-N 1 2 281.400 1.684 20 30 CDEDLO CC(=O)[C@H](NC(=O)C[NH+]1CCC(CC#N)CC1)C(C)C ZINC000543809717 333901374 /nfs/dbraw/zinc/90/13/74/333901374.db2.gz KFYKQLTZUYDJBZ-OAHLLOKOSA-N 1 2 279.384 1.342 20 30 CDEDLO CC[C@]1(C)C[C@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000134223372 334084789 /nfs/dbraw/zinc/08/47/89/334084789.db2.gz VTUIBIRMJIRWCF-GOEBONIOSA-N 1 2 293.411 1.497 20 30 CDEDLO CCCOc1ccc2c(c1)CC[N@@H+](CC(=O)NCC#N)C2 ZINC000134526175 334093393 /nfs/dbraw/zinc/09/33/93/334093393.db2.gz XJUZEPGHROICBV-UHFFFAOYSA-N 1 2 287.363 1.473 20 30 CDEDLO CCCOc1ccc2c(c1)CC[N@H+](CC(=O)NCC#N)C2 ZINC000134526175 334093394 /nfs/dbraw/zinc/09/33/94/334093394.db2.gz XJUZEPGHROICBV-UHFFFAOYSA-N 1 2 287.363 1.473 20 30 CDEDLO C=CCN(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000548001102 334134519 /nfs/dbraw/zinc/13/45/19/334134519.db2.gz OPUUUHCWFNJCPV-LLVKDONJSA-N 1 2 260.341 1.558 20 30 CDEDLO COCCO[C@@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000245818211 334220645 /nfs/dbraw/zinc/22/06/45/334220645.db2.gz DKZBLBWXJYBDHV-ZIAGYGMSSA-N 1 2 265.357 1.557 20 30 CDEDLO COCCO[C@@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000245818211 334220646 /nfs/dbraw/zinc/22/06/46/334220646.db2.gz DKZBLBWXJYBDHV-ZIAGYGMSSA-N 1 2 265.357 1.557 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(C2CC2)cn1 ZINC000566564617 334655688 /nfs/dbraw/zinc/65/56/88/334655688.db2.gz RUFXANNDPXZHLL-HNNXBMFYSA-N 1 2 272.352 1.533 20 30 CDEDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000343553029 335209087 /nfs/dbraw/zinc/20/90/87/335209087.db2.gz BLQCHVOJWDTVDX-OAHLLOKOSA-N 1 2 288.347 1.517 20 30 CDEDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000343553029 335209088 /nfs/dbraw/zinc/20/90/88/335209088.db2.gz BLQCHVOJWDTVDX-OAHLLOKOSA-N 1 2 288.347 1.517 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(CC#N)c1 ZINC000579424622 335746643 /nfs/dbraw/zinc/74/66/43/335746643.db2.gz VNHANWBGTDQCJM-HNNXBMFYSA-N 1 2 270.336 1.326 20 30 CDEDLO C#CCCCCC(=O)N(C)C[C@H](C)[NH2+]Cc1nnc(C)o1 ZINC001755581710 1160227035 /nfs/dbraw/zinc/22/70/35/1160227035.db2.gz MNNBDJJXZNTIAV-LBPRGKRZSA-N 1 2 292.383 1.508 20 30 CDEDLO C=CCOCC(=O)N[C@H]1CCC[N@H+](CC(=C)Cl)[C@H]1C ZINC001755714878 1160489342 /nfs/dbraw/zinc/48/93/42/1160489342.db2.gz QXKSQRHUGQVRPN-STQMWFEESA-N 1 2 286.803 1.911 20 30 CDEDLO C=CCOCC(=O)N[C@H]1CCC[N@@H+](CC(=C)Cl)[C@H]1C ZINC001755714878 1160489343 /nfs/dbraw/zinc/48/93/43/1160489343.db2.gz QXKSQRHUGQVRPN-STQMWFEESA-N 1 2 286.803 1.911 20 30 CDEDLO COCC#CC[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000677133101 482542590 /nfs/dbraw/zinc/54/25/90/482542590.db2.gz HOWLLIYAFYGOMV-INIZCTEOSA-N 1 2 286.375 1.764 20 30 CDEDLO COCC#CC[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000677133101 482542594 /nfs/dbraw/zinc/54/25/94/482542594.db2.gz HOWLLIYAFYGOMV-INIZCTEOSA-N 1 2 286.375 1.764 20 30 CDEDLO Cc1nc(NCC2(CCNC(=O)[C@H](C)C#N)CC2)cc[nH+]1 ZINC001089912725 1161337321 /nfs/dbraw/zinc/33/73/21/1161337321.db2.gz BOXJAONDLNZNSL-LLVKDONJSA-N 1 2 287.367 1.643 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cccc(C)n1 ZINC001731763130 1182555199 /nfs/dbraw/zinc/55/51/99/1182555199.db2.gz LXUOHQMWNPNHIS-UHFFFAOYSA-N 1 2 267.760 1.804 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cccc(C)n1 ZINC001731763130 1182555206 /nfs/dbraw/zinc/55/52/06/1182555206.db2.gz LXUOHQMWNPNHIS-UHFFFAOYSA-N 1 2 267.760 1.804 20 30 CDEDLO C=CC[C@@](C)([NH2+][C@@H]1CC[C@@H](C(=O)OCC)OC1)C(=O)OC ZINC001169368444 1162005979 /nfs/dbraw/zinc/00/59/79/1162005979.db2.gz STQZBAMNPFYODT-TYNCELHUSA-N 1 2 299.367 1.195 20 30 CDEDLO C=C[C@H](CC)CC(=O)NC[C@H]1COCC[N@H+]1CCCF ZINC001754970520 1185774701 /nfs/dbraw/zinc/77/47/01/1185774701.db2.gz UYPMRQDNGIVCPE-KGLIPLIRSA-N 1 2 286.391 1.765 20 30 CDEDLO C=C[C@H](CC)CC(=O)NC[C@H]1COCC[N@@H+]1CCCF ZINC001754970520 1185774696 /nfs/dbraw/zinc/77/46/96/1185774696.db2.gz UYPMRQDNGIVCPE-KGLIPLIRSA-N 1 2 286.391 1.765 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](CCC)OC)CC1 ZINC001113186713 1162127226 /nfs/dbraw/zinc/12/72/26/1162127226.db2.gz DEPZZQJZKLBXFK-ZDUSSCGKSA-N 1 2 254.374 1.522 20 30 CDEDLO CC#CCCCC(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001113226316 1162132264 /nfs/dbraw/zinc/13/22/64/1162132264.db2.gz WQJRGDMMRUZJRY-UHFFFAOYSA-N 1 2 288.395 1.258 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cnn(C)c1C#N)CCC2 ZINC000356524015 518191446 /nfs/dbraw/zinc/19/14/46/518191446.db2.gz XRJOUALAPVZGIV-NSHDSACASA-N 1 2 298.350 1.104 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH2+][C@@H](COC)c1ccc(C)o1 ZINC000184635742 518924127 /nfs/dbraw/zinc/92/41/27/518924127.db2.gz RBTKVJFASCXRDQ-RYUDHWBXSA-N 1 2 266.341 1.556 20 30 CDEDLO O=C(NC1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1)C1CC1 ZINC000330317213 534593933 /nfs/dbraw/zinc/59/39/33/534593933.db2.gz QHUAIQZIOMLILY-LLVKDONJSA-N 1 2 288.351 1.023 20 30 CDEDLO O=C(NCCOC1CCCCC1)N1CCn2cc[nH+]c2C1 ZINC000329468317 534753230 /nfs/dbraw/zinc/75/32/30/534753230.db2.gz WTRVYZRKEHBDKQ-UHFFFAOYSA-N 1 2 292.383 1.962 20 30 CDEDLO C[C@H](O)C[N@@H+]1CCN(C(=O)c2sccc2C#N)C[C@H]1C ZINC000246769508 525766925 /nfs/dbraw/zinc/76/69/25/525766925.db2.gz PHOVADBIQCEECE-MNOVXSKESA-N 1 2 293.392 1.147 20 30 CDEDLO C[C@H](O)C[N@H+]1CCN(C(=O)c2sccc2C#N)C[C@H]1C ZINC000246769508 525766933 /nfs/dbraw/zinc/76/69/33/525766933.db2.gz PHOVADBIQCEECE-MNOVXSKESA-N 1 2 293.392 1.147 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNc1cnc(C#N)cn1)CCC2 ZINC000364910054 525936656 /nfs/dbraw/zinc/93/66/56/525936656.db2.gz FSTRWRMKOXOEIT-LLVKDONJSA-N 1 2 268.324 1.843 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCc3ccc(O)cc3C2)C1=O ZINC000335920410 526511973 /nfs/dbraw/zinc/51/19/73/526511973.db2.gz GILOJFMPSOANDB-HNNXBMFYSA-N 1 2 272.348 1.537 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCc3ccc(O)cc3C2)C1=O ZINC000335920410 526511979 /nfs/dbraw/zinc/51/19/79/526511979.db2.gz GILOJFMPSOANDB-HNNXBMFYSA-N 1 2 272.348 1.537 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000352239079 527253851 /nfs/dbraw/zinc/25/38/51/527253851.db2.gz SCSZMKGBFHJUJR-CYBMUJFWSA-N 1 2 281.400 1.012 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000347616786 527618117 /nfs/dbraw/zinc/61/81/17/527618117.db2.gz VOYXFWYTPSDITR-GDBMZVCRSA-N 1 2 298.427 1.442 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000347616786 527618122 /nfs/dbraw/zinc/61/81/22/527618122.db2.gz VOYXFWYTPSDITR-GDBMZVCRSA-N 1 2 298.427 1.442 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)C2(C(F)(F)F)CC2)CC1 ZINC000726197888 574493946 /nfs/dbraw/zinc/49/39/46/574493946.db2.gz UXQJVYJULCCCAJ-UHFFFAOYSA-N 1 2 260.259 1.106 20 30 CDEDLO COc1ccc(OC)c([C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000751474956 574647143 /nfs/dbraw/zinc/64/71/43/574647143.db2.gz HIPYBXPWMRWERX-ZDUSSCGKSA-N 1 2 264.325 1.583 20 30 CDEDLO COc1ccc(OC)c([C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000751474956 574647144 /nfs/dbraw/zinc/64/71/44/574647144.db2.gz HIPYBXPWMRWERX-ZDUSSCGKSA-N 1 2 264.325 1.583 20 30 CDEDLO C#Cc1ccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)nc1 ZINC000728861634 574662383 /nfs/dbraw/zinc/66/23/83/574662383.db2.gz OPXMLOOXUWBYPG-UHFFFAOYSA-N 1 2 294.358 1.568 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[NH+]2Cc3ccccc3C2)cn1 ZINC000728862598 574662624 /nfs/dbraw/zinc/66/26/24/574662624.db2.gz BPQFWRGMYYVRFY-UHFFFAOYSA-N 1 2 291.354 1.809 20 30 CDEDLO C=C(Br)CNC(=O)CCCn1cc[nH+]c1 ZINC000729344689 574751887 /nfs/dbraw/zinc/75/18/87/574751887.db2.gz ITSHSDBVMDWDAZ-UHFFFAOYSA-N 1 2 272.146 1.688 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(COC)c1 ZINC000730104859 574850497 /nfs/dbraw/zinc/85/04/97/574850497.db2.gz VMNKDGJXGYMIII-HNNXBMFYSA-N 1 2 272.348 1.869 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(COC)c1 ZINC000730104859 574850499 /nfs/dbraw/zinc/85/04/99/574850499.db2.gz VMNKDGJXGYMIII-HNNXBMFYSA-N 1 2 272.348 1.869 20 30 CDEDLO N#CCC[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737695038 574885315 /nfs/dbraw/zinc/88/53/15/574885315.db2.gz SKOLGYVKSBJARM-UHFFFAOYSA-N 1 2 298.350 1.624 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000732062450 575077488 /nfs/dbraw/zinc/07/74/88/575077488.db2.gz LDDMIHMRHGOXJH-INIZCTEOSA-N 1 2 294.358 1.908 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000732062450 575077489 /nfs/dbraw/zinc/07/74/89/575077489.db2.gz LDDMIHMRHGOXJH-INIZCTEOSA-N 1 2 294.358 1.908 20 30 CDEDLO C#CC[NH+]1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000732667964 575093416 /nfs/dbraw/zinc/09/34/16/575093416.db2.gz VBQSGESPERCPQC-HNNXBMFYSA-N 1 2 278.783 1.624 20 30 CDEDLO C#CCN1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000732667964 575093417 /nfs/dbraw/zinc/09/34/17/575093417.db2.gz VBQSGESPERCPQC-HNNXBMFYSA-N 1 2 278.783 1.624 20 30 CDEDLO C#CCOCCOC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000774191978 575187902 /nfs/dbraw/zinc/18/79/02/575187902.db2.gz SLMXKZKMDNHNJB-UHFFFAOYSA-N 1 2 271.276 1.074 20 30 CDEDLO c1ccc(N2CCC(N=Nc3cccnn3)CC2)[nH+]c1 ZINC000735976133 575545346 /nfs/dbraw/zinc/54/53/46/575545346.db2.gz CYJADNPAZBCVTC-UHFFFAOYSA-N 1 2 268.324 1.940 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CC[C@@H](C)SC)CC1 ZINC000773384249 575805885 /nfs/dbraw/zinc/80/58/85/575805885.db2.gz XIFAWVJRMSPYKQ-GFCCVEGCSA-N 1 2 254.399 1.296 20 30 CDEDLO Cc1ncc(CO)c(/C=[NH+]\CCCC(=O)OC(C)C)c1O ZINC000764889600 575960513 /nfs/dbraw/zinc/96/05/13/575960513.db2.gz UKKFKXYOTFLLEV-PXNMLYILSA-N 1 2 294.351 1.739 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cn1 ZINC000759473517 576393092 /nfs/dbraw/zinc/39/30/92/576393092.db2.gz PYZBSOHUEKLEGD-BBRMVZONSA-N 1 2 294.358 1.983 20 30 CDEDLO C=C(Cl)CNC(=O)[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000742080318 576581074 /nfs/dbraw/zinc/58/10/74/576581074.db2.gz RDDAHYJZPREGGH-ZDUSSCGKSA-N 1 2 288.819 1.992 20 30 CDEDLO CC(C[C@H]1CCOC1)N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761854273 576598169 /nfs/dbraw/zinc/59/81/69/576598169.db2.gz CCSDKFPUEXIJBO-GFCCVEGCSA-N 1 2 286.339 1.877 20 30 CDEDLO C#CCNC(=O)C[N@H+]1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000743852126 576657818 /nfs/dbraw/zinc/65/78/18/576657818.db2.gz MMOWXDZIRSGNKA-HOCLYGCPSA-N 1 2 286.375 1.506 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000743852126 576657820 /nfs/dbraw/zinc/65/78/20/576657820.db2.gz MMOWXDZIRSGNKA-HOCLYGCPSA-N 1 2 286.375 1.506 20 30 CDEDLO N#CCCNC(=O)C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000743852558 576658044 /nfs/dbraw/zinc/65/80/44/576658044.db2.gz PQWJRKOYYJWUFU-UHFFFAOYSA-N 1 2 265.357 1.051 20 30 CDEDLO N#CCCNC(=O)C[N@H+]1CCOC2(CCCCC2)C1 ZINC000743852558 576658046 /nfs/dbraw/zinc/65/80/46/576658046.db2.gz PQWJRKOYYJWUFU-UHFFFAOYSA-N 1 2 265.357 1.051 20 30 CDEDLO CC[N@H+](C)[C@H](C(=O)OCC#CCOC)c1ccccc1 ZINC000762830960 576679119 /nfs/dbraw/zinc/67/91/19/576679119.db2.gz BDEKBYQMXISJRO-HNNXBMFYSA-N 1 2 275.348 1.872 20 30 CDEDLO CC[N@@H+](C)[C@H](C(=O)OCC#CCOC)c1ccccc1 ZINC000762830960 576679120 /nfs/dbraw/zinc/67/91/20/576679120.db2.gz BDEKBYQMXISJRO-HNNXBMFYSA-N 1 2 275.348 1.872 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)C[C@H]2CCCC[C@H]2C)CC1 ZINC000744419315 576679810 /nfs/dbraw/zinc/67/98/10/576679810.db2.gz YFHKUJUPDSOXGJ-HUUCEWRRSA-N 1 2 262.397 1.980 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)[C@H](C)Cc2ccc(F)cc2)CC1 ZINC000744419306 576680136 /nfs/dbraw/zinc/68/01/36/576680136.db2.gz XZUCDMPTTNTLGB-CQSZACIVSA-N 1 2 288.366 1.782 20 30 CDEDLO CN(C)c1cc(C[NH+]2CCN(CCC#N)CC2)ccn1 ZINC000754076904 576877819 /nfs/dbraw/zinc/87/78/19/576877819.db2.gz YMDVVJAUGDYDMI-UHFFFAOYSA-N 1 2 273.384 1.179 20 30 CDEDLO Cn1cncc1C=NNc1cc[nH+]c2ccccc12 ZINC000755699470 576956189 /nfs/dbraw/zinc/95/61/89/576956189.db2.gz FZFJIDNQVHRSGT-UHFFFAOYSA-N 1 2 251.293 1.836 20 30 CDEDLO C#C[C@H](CC)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000753176640 577151407 /nfs/dbraw/zinc/15/14/07/577151407.db2.gz JALRRSBNMWVPSE-OLZOCXBDSA-N 1 2 272.352 1.371 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000823920024 608067882 /nfs/dbraw/zinc/06/78/82/608067882.db2.gz XAHCLGSYHDENBB-CYBMUJFWSA-N 1 2 271.324 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000823920024 608067883 /nfs/dbraw/zinc/06/78/83/608067883.db2.gz XAHCLGSYHDENBB-CYBMUJFWSA-N 1 2 271.324 1.426 20 30 CDEDLO N#Cc1ccc(NC(=O)CO[NH+]=C(N)c2ccccc2)cc1 ZINC000005295686 617202202 /nfs/dbraw/zinc/20/22/02/617202202.db2.gz LJIXQPYMXNKCOU-UHFFFAOYSA-N 1 2 294.314 1.834 20 30 CDEDLO C#CC[C@@H](NC(=O)Cc1c[nH+]cn1C)c1ccccc1 ZINC000807162909 617227298 /nfs/dbraw/zinc/22/72/98/617227298.db2.gz COIKZWRNRHGXSR-OAHLLOKOSA-N 1 2 267.332 1.843 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2Cc3ccccc3O2)C1 ZINC000950810161 612991267 /nfs/dbraw/zinc/99/12/67/612991267.db2.gz DJCCUHPZNCRFKC-QGZVFWFLSA-N 1 2 298.386 1.546 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2c(C)nn(C)c2F)C1 ZINC000957331254 612991715 /nfs/dbraw/zinc/99/17/15/612991715.db2.gz DDGPJAGULDHXSX-UHFFFAOYSA-N 1 2 292.358 1.037 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccccc2F)C1 ZINC000949588586 612992366 /nfs/dbraw/zinc/99/23/66/612992366.db2.gz LJVBWRTWFXGPQN-UHFFFAOYSA-N 1 2 274.339 1.995 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cccs2)C1 ZINC000949598786 612992644 /nfs/dbraw/zinc/99/26/44/612992644.db2.gz XIZICWWPLNLFDF-UHFFFAOYSA-N 1 2 262.378 1.918 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C(F)=C(C)C)CC2)C1 ZINC000949335941 613210297 /nfs/dbraw/zinc/21/02/97/613210297.db2.gz IUVKBGCYEBDEQL-UHFFFAOYSA-N 1 2 294.370 1.576 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C(F)=C(C)C)CC2)C1 ZINC000949335941 613210298 /nfs/dbraw/zinc/21/02/98/613210298.db2.gz IUVKBGCYEBDEQL-UHFFFAOYSA-N 1 2 294.370 1.576 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@@H+]([C@@H](C)C(=O)NC)CC1 ZINC000981741219 613240692 /nfs/dbraw/zinc/24/06/92/613240692.db2.gz VUKSVAOWBDNZLO-ZDUSSCGKSA-N 1 2 295.427 1.258 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@H+]([C@@H](C)C(=O)NC)CC1 ZINC000981741219 613240694 /nfs/dbraw/zinc/24/06/94/613240694.db2.gz VUKSVAOWBDNZLO-ZDUSSCGKSA-N 1 2 295.427 1.258 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(C)nnc2C)C1 ZINC000950420024 613295984 /nfs/dbraw/zinc/29/59/84/613295984.db2.gz RDOMWSCMSKZQSC-UHFFFAOYSA-N 1 2 288.395 1.816 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2coc(C)n2)C1 ZINC000949948282 613297534 /nfs/dbraw/zinc/29/75/34/613297534.db2.gz LEPICBCQJIAGSK-UHFFFAOYSA-N 1 2 263.341 1.705 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cn(C)nc2C2CC2)CC1 ZINC000948558281 613321274 /nfs/dbraw/zinc/32/12/74/613321274.db2.gz QBTRKGJGNPAHOC-UHFFFAOYSA-N 1 2 288.395 1.631 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccnnc2)C1 ZINC000970486702 613371871 /nfs/dbraw/zinc/37/18/71/613371871.db2.gz QCWRRJMTJJJOBE-SNVBAGLBSA-N 1 2 280.759 1.279 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cc2cncnc2)CC1 ZINC000981059587 613373247 /nfs/dbraw/zinc/37/32/47/613373247.db2.gz HGMJAVPJWGCBNY-UHFFFAOYSA-N 1 2 294.786 1.306 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cc2cncnc2)CC1 ZINC000981059587 613373248 /nfs/dbraw/zinc/37/32/48/613373248.db2.gz HGMJAVPJWGCBNY-UHFFFAOYSA-N 1 2 294.786 1.306 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cc2cnn(C)c2)CC1 ZINC000980796286 613373412 /nfs/dbraw/zinc/37/34/12/613373412.db2.gz JKIJKULBGPTAFM-UHFFFAOYSA-N 1 2 296.802 1.249 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cc2cnn(C)c2)CC1 ZINC000980796286 613373413 /nfs/dbraw/zinc/37/34/13/613373413.db2.gz JKIJKULBGPTAFM-UHFFFAOYSA-N 1 2 296.802 1.249 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cccn2)C1 ZINC000965152906 613377678 /nfs/dbraw/zinc/37/76/78/613377678.db2.gz PQSZJWRPOKPPOL-AAEUAGOBSA-N 1 2 296.802 1.462 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cccn2)C1 ZINC000965152906 613377679 /nfs/dbraw/zinc/37/76/79/613377679.db2.gz PQSZJWRPOKPPOL-AAEUAGOBSA-N 1 2 296.802 1.462 20 30 CDEDLO C=C1CCC(C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC[C@H]2C)CC1 ZINC000968188023 613412668 /nfs/dbraw/zinc/41/26/68/613412668.db2.gz ASBBBQFROBZPPG-OCCSQVGLSA-N 1 2 293.411 1.045 20 30 CDEDLO C=C1CCC(C(=O)N[C@H]2C[N@H+](CC(N)=O)CC[C@H]2C)CC1 ZINC000968188023 613412671 /nfs/dbraw/zinc/41/26/71/613412671.db2.gz ASBBBQFROBZPPG-OCCSQVGLSA-N 1 2 293.411 1.045 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000969586274 613436550 /nfs/dbraw/zinc/43/65/50/613436550.db2.gz IZVDCZAZFHGQKU-SNVBAGLBSA-N 1 2 280.397 1.441 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)CC)C2)C1 ZINC000972525040 613570978 /nfs/dbraw/zinc/57/09/78/613570978.db2.gz XPALXWUZDMBDSF-QGZVFWFLSA-N 1 2 292.423 1.749 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)CC)C2)C1 ZINC000972525040 613570982 /nfs/dbraw/zinc/57/09/82/613570982.db2.gz XPALXWUZDMBDSF-QGZVFWFLSA-N 1 2 292.423 1.749 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC000951770484 613654447 /nfs/dbraw/zinc/65/44/47/613654447.db2.gz HBYKRSGDRXRKFX-KGLIPLIRSA-N 1 2 264.369 1.296 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)C2CCOCC2)CC1 ZINC000957960769 613710029 /nfs/dbraw/zinc/71/00/29/613710029.db2.gz CFFJOPVAGAEHLS-ZDUSSCGKSA-N 1 2 266.385 1.379 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)n2cnc3ccccc32)CC1 ZINC000957052858 613710519 /nfs/dbraw/zinc/71/05/19/613710519.db2.gz RPRMMRGALZQWQZ-CQSZACIVSA-N 1 2 298.390 1.928 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](F)Cc2ccccc2)CC1 ZINC000957747399 613712202 /nfs/dbraw/zinc/71/22/02/613712202.db2.gz RTDQBNUCPFJESL-OAHLLOKOSA-N 1 2 276.355 1.897 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2n[nH]c3c2C[C@H](C)CC3)CC1 ZINC000956993639 613718584 /nfs/dbraw/zinc/71/85/84/613718584.db2.gz TXEKRYIURMTCON-GFCCVEGCSA-N 1 2 288.395 1.478 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C(C)C)C2)C1 ZINC000972581339 613726753 /nfs/dbraw/zinc/72/67/53/613726753.db2.gz HIKIGBINWOQSGE-GDBMZVCRSA-N 1 2 280.412 1.768 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C(C)C)C2)C1 ZINC000972581339 613726755 /nfs/dbraw/zinc/72/67/55/613726755.db2.gz HIKIGBINWOQSGE-GDBMZVCRSA-N 1 2 280.412 1.768 20 30 CDEDLO Cn1cc(N2CC[NH+](Cc3csc(C#N)c3)CC2)cn1 ZINC000892040775 617435518 /nfs/dbraw/zinc/43/55/18/617435518.db2.gz CEKJAZYHWMLQFL-UHFFFAOYSA-N 1 2 287.392 1.675 20 30 CDEDLO C#C[C@H]1CCCCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000892605624 617530769 /nfs/dbraw/zinc/53/07/69/617530769.db2.gz SKXHOJKMNXNJLT-AWEZNQCLSA-N 1 2 293.411 1.295 20 30 CDEDLO C#C[C@H]1CCCCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000892605624 617530771 /nfs/dbraw/zinc/53/07/71/617530771.db2.gz SKXHOJKMNXNJLT-AWEZNQCLSA-N 1 2 293.411 1.295 20 30 CDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H]1CO ZINC000934022485 617862265 /nfs/dbraw/zinc/86/22/65/617862265.db2.gz YNVYFUGVSKHRRX-DZGCQCFKSA-N 1 2 287.363 1.388 20 30 CDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H]1CO ZINC000934022485 617862268 /nfs/dbraw/zinc/86/22/68/617862268.db2.gz YNVYFUGVSKHRRX-DZGCQCFKSA-N 1 2 287.363 1.388 20 30 CDEDLO COC(=O)c1ccc(C[NH2+]C[C@H](C)C#N)c(F)c1 ZINC000893545964 618091586 /nfs/dbraw/zinc/09/15/86/618091586.db2.gz ZAXYIEWDFDCAKP-SECBINFHSA-N 1 2 250.273 1.862 20 30 CDEDLO C[C@H](C#N)C[NH2+]Cc1ncc(Br)cc1O ZINC000893545677 618091901 /nfs/dbraw/zinc/09/19/01/618091901.db2.gz WEMYQQCMFZETPC-SSDOTTSWSA-N 1 2 270.130 1.799 20 30 CDEDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000793325779 619267233 /nfs/dbraw/zinc/26/72/33/619267233.db2.gz UQNKWKHJVROYLL-NWDGAFQWSA-N 1 2 276.336 1.971 20 30 CDEDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000793325779 619267235 /nfs/dbraw/zinc/26/72/35/619267235.db2.gz UQNKWKHJVROYLL-NWDGAFQWSA-N 1 2 276.336 1.971 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCCN1O ZINC000895165262 619393366 /nfs/dbraw/zinc/39/33/66/619393366.db2.gz KZNAXKXSMVVTFM-QMMMGPOBSA-N 1 2 271.298 1.126 20 30 CDEDLO C#CCSCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000896132329 620002400 /nfs/dbraw/zinc/00/24/00/620002400.db2.gz HRMDUCYDOHQRQH-LLVKDONJSA-N 1 2 263.366 1.482 20 30 CDEDLO C#C[C@H](CCC)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897553680 620987448 /nfs/dbraw/zinc/98/74/48/620987448.db2.gz VVPMSOBZLFITFG-RISCZKNCSA-N 1 2 274.368 1.708 20 30 CDEDLO C#C[C@H](CCC)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000897553680 620987455 /nfs/dbraw/zinc/98/74/55/620987455.db2.gz VVPMSOBZLFITFG-RISCZKNCSA-N 1 2 274.368 1.708 20 30 CDEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCC2(C#N)CC2)[nH]n1 ZINC000897635936 621044129 /nfs/dbraw/zinc/04/41/29/621044129.db2.gz LBSRGJPDXPGONH-GFCCVEGCSA-N 1 2 273.340 1.210 20 30 CDEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCC2(C#N)CC2)[nH]n1 ZINC000897635936 621044136 /nfs/dbraw/zinc/04/41/36/621044136.db2.gz LBSRGJPDXPGONH-GFCCVEGCSA-N 1 2 273.340 1.210 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000898097871 621334268 /nfs/dbraw/zinc/33/42/68/621334268.db2.gz RDRQIBIFXUNQAG-CQSZACIVSA-N 1 2 265.316 1.609 20 30 CDEDLO C#CC1(O)C[NH+](Cc2ccc3ccccc3c2O)C1 ZINC000898144833 621340542 /nfs/dbraw/zinc/34/05/42/621340542.db2.gz OCKCLGFJSXVHRR-UHFFFAOYSA-N 1 2 253.301 1.725 20 30 CDEDLO CCn1c[nH+]cc1C=CC(=O)C1=C(C)N=C2N=NNN2[C@@H]1C ZINC000901503143 624305841 /nfs/dbraw/zinc/30/58/41/624305841.db2.gz ALNYXZGPVQPQTP-BRAIEQGRSA-N 1 2 299.338 1.705 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C(C)=O)cn2C)C1 ZINC000902730461 625278777 /nfs/dbraw/zinc/27/87/77/625278777.db2.gz RRRKIMGGBRNYIN-CQSZACIVSA-N 1 2 287.363 1.055 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C(C)=O)cn2C)C1 ZINC000902730461 625278782 /nfs/dbraw/zinc/27/87/82/625278782.db2.gz RRRKIMGGBRNYIN-CQSZACIVSA-N 1 2 287.363 1.055 20 30 CDEDLO C#CC[N@H+](CN1C(=O)C[C@](C)(C(C)C)C1=O)C(C)C ZINC000905748560 626944924 /nfs/dbraw/zinc/94/49/24/626944924.db2.gz JKJIJSVFZPVWBJ-OAHLLOKOSA-N 1 2 264.369 1.709 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)C[C@](C)(C(C)C)C1=O)C(C)C ZINC000905748560 626944928 /nfs/dbraw/zinc/94/49/28/626944928.db2.gz JKJIJSVFZPVWBJ-OAHLLOKOSA-N 1 2 264.369 1.709 20 30 CDEDLO CCc1ccc([C@@H](C#N)NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC000908212159 628076519 /nfs/dbraw/zinc/07/65/19/628076519.db2.gz OGVJTJMPVBSJOC-CQSZACIVSA-N 1 2 268.320 1.896 20 30 CDEDLO C=CCCC(=O)[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000908634746 628304383 /nfs/dbraw/zinc/30/43/83/628304383.db2.gz PXVNFFAGPSFOTD-LBPRGKRZSA-N 1 2 261.325 1.479 20 30 CDEDLO C=CCC(F)(F)C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913453456 630486990 /nfs/dbraw/zinc/48/69/90/630486990.db2.gz NLDIRYNIJXQSJY-JTQLQIEISA-N 1 2 270.283 1.094 20 30 CDEDLO C=C[C@@H](O)C(=O)N1CC[NH+](Cc2ccc(CC)cc2)CC1 ZINC000915046846 631635065 /nfs/dbraw/zinc/63/50/65/631635065.db2.gz TVQYWUBRYNGFAJ-MRXNPFEDSA-N 1 2 288.391 1.440 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000788037873 631694084 /nfs/dbraw/zinc/69/40/84/631694084.db2.gz DIWVALZTBBEOQY-OLZOCXBDSA-N 1 2 272.352 1.323 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C#N)C1CCCC1 ZINC000921549031 633073037 /nfs/dbraw/zinc/07/30/37/633073037.db2.gz CMFONSWIQCNASE-ZWNOBZJWSA-N 1 2 260.341 1.787 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C#N)C1CCCC1 ZINC000921549031 633073039 /nfs/dbraw/zinc/07/30/39/633073039.db2.gz CMFONSWIQCNASE-ZWNOBZJWSA-N 1 2 260.341 1.787 20 30 CDEDLO CCOC(=O)[C@H](C#N)Nc1ccc2[nH+]cn(C)c2c1 ZINC001170373061 1162351010 /nfs/dbraw/zinc/35/10/10/1162351010.db2.gz GGNSWPJMNCNHGL-NSHDSACASA-N 1 2 258.281 1.440 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nccn3CC)C[C@H]21 ZINC001114004590 1162400064 /nfs/dbraw/zinc/40/00/64/1162400064.db2.gz JMHBEKYUFRRJKR-VIKVFOODSA-N 1 2 288.395 1.416 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nccn3CC)C[C@H]21 ZINC001114004590 1162400066 /nfs/dbraw/zinc/40/00/66/1162400066.db2.gz JMHBEKYUFRRJKR-VIKVFOODSA-N 1 2 288.395 1.416 20 30 CDEDLO Cc1nc(N2CC[C@H](C)[C@H](NC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001114021276 1162402003 /nfs/dbraw/zinc/40/20/03/1162402003.db2.gz KLPOHARYFSZWCK-SWLSCSKDSA-N 1 2 298.390 1.529 20 30 CDEDLO Cn1c[nH+]cc1CCOC(=O)COc1cccc(C#N)c1 ZINC000793237914 1162402862 /nfs/dbraw/zinc/40/28/62/1162402862.db2.gz LGXWRHFPECAIAB-UHFFFAOYSA-N 1 2 285.303 1.456 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cocc2C)[C@H](O)C1 ZINC001090491513 1162693627 /nfs/dbraw/zinc/69/36/27/1162693627.db2.gz CDQGNZRBMRAMTR-QWHCGFSZSA-N 1 2 298.770 1.506 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cocc2C)[C@H](O)C1 ZINC001090491513 1162693630 /nfs/dbraw/zinc/69/36/30/1162693630.db2.gz CDQGNZRBMRAMTR-QWHCGFSZSA-N 1 2 298.770 1.506 20 30 CDEDLO C=C(Cl)C[NH2+]CCNC(=O)c1n[nH]c2ccc(C)cc21 ZINC001130786689 1162715982 /nfs/dbraw/zinc/71/59/82/1162715982.db2.gz OQIAHMFCIKJLHV-UHFFFAOYSA-N 1 2 292.770 1.943 20 30 CDEDLO C=C(Cl)C[NH2+]CCCNC(=O)C(F)C(F)(F)F ZINC001158471520 1163068885 /nfs/dbraw/zinc/06/88/85/1163068885.db2.gz LDQKPUGDJGZIDM-ZETCQYMHSA-N 1 2 276.661 1.735 20 30 CDEDLO C=C(Cl)C[NH2+]CCCNC(=O)[C@H](F)C(F)(F)F ZINC001158471520 1163068894 /nfs/dbraw/zinc/06/88/94/1163068894.db2.gz LDQKPUGDJGZIDM-ZETCQYMHSA-N 1 2 276.661 1.735 20 30 CDEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@H]2CC[C@H](CC)O2)C1 ZINC001755334015 1159837259 /nfs/dbraw/zinc/83/72/59/1159837259.db2.gz RKBODULDACLSQQ-UONOGXRCSA-N 1 2 296.411 1.073 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CCOC2)[C@H]1C ZINC001088942585 1161041460 /nfs/dbraw/zinc/04/14/60/1161041460.db2.gz ZEQSTNCNBMOKRI-DYEKYZERSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CCOC2)[C@H]1C ZINC001088942585 1161041466 /nfs/dbraw/zinc/04/14/66/1161041466.db2.gz ZEQSTNCNBMOKRI-DYEKYZERSA-N 1 2 286.803 1.745 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1ncc(C#N)cc1C#N ZINC001157460591 1162099448 /nfs/dbraw/zinc/09/94/48/1162099448.db2.gz WXOXPPQNPTZGDM-UHFFFAOYSA-N 1 2 266.308 1.548 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001113239686 1162135557 /nfs/dbraw/zinc/13/55/57/1162135557.db2.gz MOWZCDJJYJYKSH-HNNXBMFYSA-N 1 2 290.411 1.630 20 30 CDEDLO C=CCCCC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001113277270 1162146565 /nfs/dbraw/zinc/14/65/65/1162146565.db2.gz GHEAYQBTQLSVLZ-UHFFFAOYSA-N 1 2 276.384 1.384 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001132404274 1163270304 /nfs/dbraw/zinc/27/03/04/1163270304.db2.gz YREOURWCJFNCRJ-UHFFFAOYSA-N 1 2 266.345 1.050 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+][C@@H](C)c1nc(COC)no1 ZINC001133143199 1163583225 /nfs/dbraw/zinc/58/32/25/1163583225.db2.gz RUOZQNASLMURHJ-NSHDSACASA-N 1 2 296.371 1.339 20 30 CDEDLO Cc1nc(-c2nn[nH]n2)c(C#N)n1Cc1ccc(C)[nH+]c1C ZINC001605861039 1163694606 /nfs/dbraw/zinc/69/46/06/1163694606.db2.gz GOQNTNWNWAJDGG-UHFFFAOYSA-N 1 2 294.322 1.303 20 30 CDEDLO CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC(C#N)CC1 ZINC001650291975 1170924633 /nfs/dbraw/zinc/92/46/33/1170924633.db2.gz FLHCSFGJCXDWAA-UHFFFAOYSA-N 1 2 299.382 1.362 20 30 CDEDLO C[C@H](CC#N)[NH2+]Cc1cccc(-c2nn[nH]n2)c1F ZINC001589788066 1173181069 /nfs/dbraw/zinc/18/10/69/1173181069.db2.gz SUTIOWDKEZESGY-MRVPVSSYSA-N 1 2 260.276 1.398 20 30 CDEDLO CCCC(CCC)C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001752373681 1184854488 /nfs/dbraw/zinc/85/44/88/1184854488.db2.gz YOMIGTBJFLOVNG-UHFFFAOYSA-N 1 2 294.443 1.460 20 30 CDEDLO COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC1 ZINC001752527139 1184877191 /nfs/dbraw/zinc/87/71/91/1184877191.db2.gz ZOXKUJYTKLTNST-GASCZTMLSA-N 1 2 276.380 1.112 20 30 CDEDLO COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC1 ZINC001752527139 1184877200 /nfs/dbraw/zinc/87/72/00/1184877200.db2.gz ZOXKUJYTKLTNST-GASCZTMLSA-N 1 2 276.380 1.112 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CSCC#N)C1 ZINC001753402826 1185189703 /nfs/dbraw/zinc/18/97/03/1185189703.db2.gz VTNOMGYZXQTFKS-UHFFFAOYSA-N 1 2 273.789 1.044 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC1C[NH+](Cc2ccnn2C)C1 ZINC001753411173 1185192626 /nfs/dbraw/zinc/19/26/26/1185192626.db2.gz FMCJYEWRZQSBHQ-UHFFFAOYSA-N 1 2 290.411 1.570 20 30 CDEDLO CC#CC[NH2+]CCN(CC)C(=O)C(F)C(F)(F)F ZINC001754046380 1185441150 /nfs/dbraw/zinc/44/11/50/1185441150.db2.gz ZQLZWUBNSCUHGV-SECBINFHSA-N 1 2 268.254 1.348 20 30 CDEDLO CC#CC[NH2+]CCN(CC)C(=O)[C@@H](F)C(F)(F)F ZINC001754046380 1185441156 /nfs/dbraw/zinc/44/11/56/1185441156.db2.gz ZQLZWUBNSCUHGV-SECBINFHSA-N 1 2 268.254 1.348 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N[C@H](C)C[NH2+]Cc1nc(CC)no1 ZINC001754241598 1185526346 /nfs/dbraw/zinc/52/63/46/1185526346.db2.gz NMICOBPDSDFUBK-ABAIWWIYSA-N 1 2 294.399 1.829 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1COCC[N@@H+]1CCCF ZINC001754970521 1185773927 /nfs/dbraw/zinc/77/39/27/1185773927.db2.gz UYPMRQDNGIVCPE-UONOGXRCSA-N 1 2 286.391 1.765 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1COCC[N@H+]1CCCF ZINC001754970521 1185773933 /nfs/dbraw/zinc/77/39/33/1185773933.db2.gz UYPMRQDNGIVCPE-UONOGXRCSA-N 1 2 286.391 1.765 20 30 CDEDLO C=C1CC(C)(C(=O)NC[C@H]2COCC[N@H+]2CCC)C1 ZINC001754972032 1185774432 /nfs/dbraw/zinc/77/44/32/1185774432.db2.gz VXPHVWQRJHZSDX-ZDUSSCGKSA-N 1 2 266.385 1.570 20 30 CDEDLO C=C1CC(C)(C(=O)NC[C@H]2COCC[N@@H+]2CCC)C1 ZINC001754972032 1185774435 /nfs/dbraw/zinc/77/44/35/1185774435.db2.gz VXPHVWQRJHZSDX-ZDUSSCGKSA-N 1 2 266.385 1.570 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N(C)CCC[N@H+](C)Cc1ccon1 ZINC001755036212 1185793776 /nfs/dbraw/zinc/79/37/76/1185793776.db2.gz OTUCGEQANNWGLN-OAHLLOKOSA-N 1 2 295.383 1.282 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N(C)CCC[N@@H+](C)Cc1ccon1 ZINC001755036212 1185793779 /nfs/dbraw/zinc/79/37/79/1185793779.db2.gz OTUCGEQANNWGLN-OAHLLOKOSA-N 1 2 295.383 1.282 20 30 CDEDLO C[C@@H](C#N)OCC[N@@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000321961675 1186800534 /nfs/dbraw/zinc/80/05/34/1186800534.db2.gz ZVYPWMUITADRLF-APPDUMDISA-N 1 2 258.387 1.148 20 30 CDEDLO C[C@@H](C#N)OCC[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000321961675 1186800535 /nfs/dbraw/zinc/80/05/35/1186800535.db2.gz ZVYPWMUITADRLF-APPDUMDISA-N 1 2 258.387 1.148 20 30 CDEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCOCC23CC3)cc1 ZINC000801981570 751351207 /nfs/dbraw/zinc/35/12/07/751351207.db2.gz QNXVWBCBXJSSMS-CQSZACIVSA-N 1 2 258.321 1.456 20 30 CDEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCOCC23CC3)cc1 ZINC000801981570 751351214 /nfs/dbraw/zinc/35/12/14/751351214.db2.gz QNXVWBCBXJSSMS-CQSZACIVSA-N 1 2 258.321 1.456 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(CC)c1 ZINC001032520981 751354612 /nfs/dbraw/zinc/35/46/12/751354612.db2.gz PGLMZAXWTGRCRJ-HOTGVXAUSA-N 1 2 283.375 1.566 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(CC)c1 ZINC001032520981 751354619 /nfs/dbraw/zinc/35/46/19/751354619.db2.gz PGLMZAXWTGRCRJ-HOTGVXAUSA-N 1 2 283.375 1.566 20 30 CDEDLO N#Cc1cccc([C@H]2C[N@H+](CCc3cnccn3)CCO2)c1 ZINC000878322923 751391624 /nfs/dbraw/zinc/39/16/24/751391624.db2.gz RWUSJRJEINNIOY-QGZVFWFLSA-N 1 2 294.358 1.964 20 30 CDEDLO N#Cc1cccc([C@H]2C[N@@H+](CCc3cnccn3)CCO2)c1 ZINC000878322923 751391631 /nfs/dbraw/zinc/39/16/31/751391631.db2.gz RWUSJRJEINNIOY-QGZVFWFLSA-N 1 2 294.358 1.964 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1C1CC1 ZINC001032499072 751423238 /nfs/dbraw/zinc/42/32/38/751423238.db2.gz MFYMKWQOOLVSLG-KBPBESRZSA-N 1 2 281.359 1.491 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1C1CC1 ZINC001032499072 751423262 /nfs/dbraw/zinc/42/32/62/751423262.db2.gz MFYMKWQOOLVSLG-KBPBESRZSA-N 1 2 281.359 1.491 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3ccc(C)cn32)C1 ZINC001030674420 751427963 /nfs/dbraw/zinc/42/79/63/751427963.db2.gz HLMFLXUJCYNICY-UHFFFAOYSA-N 1 2 282.347 1.080 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2c1CCCC2 ZINC001032451684 751464675 /nfs/dbraw/zinc/46/46/75/751464675.db2.gz PTIUBTGSANUBRL-KBPBESRZSA-N 1 2 283.375 1.356 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2c1CCCC2 ZINC001032451684 751464690 /nfs/dbraw/zinc/46/46/90/751464690.db2.gz PTIUBTGSANUBRL-KBPBESRZSA-N 1 2 283.375 1.356 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2c(C)noc2CCC)C1 ZINC001007325775 751478970 /nfs/dbraw/zinc/47/89/70/751478970.db2.gz GVHNNRCCRDYLDI-ZDUSSCGKSA-N 1 2 289.379 1.763 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2c(C)noc2CCC)C1 ZINC001007325775 751478976 /nfs/dbraw/zinc/47/89/76/751478976.db2.gz GVHNNRCCRDYLDI-ZDUSSCGKSA-N 1 2 289.379 1.763 20 30 CDEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2[C@H](C)C(=O)NC)CC1 ZINC001038668546 751484299 /nfs/dbraw/zinc/48/42/99/751484299.db2.gz VBOILKOEQXOELG-TZMCWYRMSA-N 1 2 293.411 1.058 20 30 CDEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2[C@H](C)C(=O)NC)CC1 ZINC001038668546 751484317 /nfs/dbraw/zinc/48/43/17/751484317.db2.gz VBOILKOEQXOELG-TZMCWYRMSA-N 1 2 293.411 1.058 20 30 CDEDLO COc1c(O)c(C[NH2+]CC(C)(C)C#N)ccc1[N+](=O)[O-] ZINC000775059401 751484439 /nfs/dbraw/zinc/48/44/39/751484439.db2.gz PIBOTOKLTGWHIM-UHFFFAOYSA-N 1 2 279.296 1.948 20 30 CDEDLO C=C(Br)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160751342 751523496 /nfs/dbraw/zinc/52/34/96/751523496.db2.gz AXFKBDHBGDVRRD-SECBINFHSA-N 1 2 284.157 1.470 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C/c1ccco1 ZINC001017309112 751550278 /nfs/dbraw/zinc/55/02/78/751550278.db2.gz BXTWIHHPZPAOPU-CWZTWBIVSA-N 1 2 270.332 1.601 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C/c1ccco1 ZINC001017309112 751550284 /nfs/dbraw/zinc/55/02/84/751550284.db2.gz BXTWIHHPZPAOPU-CWZTWBIVSA-N 1 2 270.332 1.601 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2nonc2C)C1 ZINC001033544427 751582076 /nfs/dbraw/zinc/58/20/76/751582076.db2.gz MAUSPWDQEPCECP-NSHDSACASA-N 1 2 298.774 1.206 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2nonc2C)C1 ZINC001033544427 751582114 /nfs/dbraw/zinc/58/21/14/751582114.db2.gz MAUSPWDQEPCECP-NSHDSACASA-N 1 2 298.774 1.206 20 30 CDEDLO Cc1ccc(Cl)c2c1NC(=O)C2=NNC1=[NH+]C[C@@H](C)N1 ZINC000779794735 751613408 /nfs/dbraw/zinc/61/34/08/751613408.db2.gz MKBBVOMOVHKQEO-SSDOTTSWSA-N 1 2 291.742 1.242 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2Cc3cc(F)ccc3O2)C1 ZINC001031036513 751646464 /nfs/dbraw/zinc/64/64/64/751646464.db2.gz GHEXDVSGFOBHGM-OAHLLOKOSA-N 1 2 290.338 1.506 20 30 CDEDLO C#CC[NH2+][C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC000999206640 751704602 /nfs/dbraw/zinc/70/46/02/751704602.db2.gz GFZKNAPXUYXZOE-BDAKNGLRSA-N 1 2 266.238 1.101 20 30 CDEDLO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000999206640 751704632 /nfs/dbraw/zinc/70/46/32/751704632.db2.gz GFZKNAPXUYXZOE-BDAKNGLRSA-N 1 2 266.238 1.101 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccncc3)C[C@@H]21 ZINC001074144836 751806688 /nfs/dbraw/zinc/80/66/88/751806688.db2.gz WAIREEDZMOUEFH-JKSUJKDBSA-N 1 2 299.374 1.020 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccncc3)C[C@@H]21 ZINC001074144836 751806692 /nfs/dbraw/zinc/80/66/92/751806692.db2.gz WAIREEDZMOUEFH-JKSUJKDBSA-N 1 2 299.374 1.020 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794987028 751807258 /nfs/dbraw/zinc/80/72/58/751807258.db2.gz PHUFIZLZVUMFBW-BRPSZJMVSA-N 1 2 260.131 1.246 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794987028 751807261 /nfs/dbraw/zinc/80/72/61/751807261.db2.gz PHUFIZLZVUMFBW-BRPSZJMVSA-N 1 2 260.131 1.246 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C(F)F)nn2C)C1 ZINC001043332559 751819099 /nfs/dbraw/zinc/81/90/99/751819099.db2.gz RQZOSWBHHHTZMZ-UHFFFAOYSA-N 1 2 296.321 1.137 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1coc2ccccc12 ZINC001032699520 751820820 /nfs/dbraw/zinc/82/08/20/751820820.db2.gz AIETUDYUABDYDX-GJZGRUSLSA-N 1 2 294.354 1.894 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1coc2ccccc12 ZINC001032699520 751820823 /nfs/dbraw/zinc/82/08/23/751820823.db2.gz AIETUDYUABDYDX-GJZGRUSLSA-N 1 2 294.354 1.894 20 30 CDEDLO N#Cc1ccsc1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000931840460 751832950 /nfs/dbraw/zinc/83/29/50/751832950.db2.gz YBHKPUGBFWNDRS-SNVBAGLBSA-N 1 2 287.348 1.953 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)OCCCC)nn1 ZINC000881292099 751839940 /nfs/dbraw/zinc/83/99/40/751839940.db2.gz ABWUZVCBKUCTOY-GFCCVEGCSA-N 1 2 278.356 1.295 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc(C2CC2)no1 ZINC001032440202 751858107 /nfs/dbraw/zinc/85/81/07/751858107.db2.gz DHROESCAGSVBGP-STQMWFEESA-N 1 2 285.347 1.013 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc(C2CC2)no1 ZINC001032440202 751858108 /nfs/dbraw/zinc/85/81/08/751858108.db2.gz DHROESCAGSVBGP-STQMWFEESA-N 1 2 285.347 1.013 20 30 CDEDLO C=C(Br)CNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000840253172 751859902 /nfs/dbraw/zinc/85/99/02/751859902.db2.gz ZFUNHBLVTLCIKE-MRVPVSSYSA-N 1 2 287.161 1.590 20 30 CDEDLO C=C(Br)CNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000840253172 751859903 /nfs/dbraw/zinc/85/99/03/751859903.db2.gz ZFUNHBLVTLCIKE-MRVPVSSYSA-N 1 2 287.161 1.590 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001031410831 751875916 /nfs/dbraw/zinc/87/59/16/751875916.db2.gz MSIHUWLKJULBTL-LLVKDONJSA-N 1 2 292.329 1.892 20 30 CDEDLO C[C@@H]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CN1CC#N ZINC001071679287 751881859 /nfs/dbraw/zinc/88/18/59/751881859.db2.gz LEBNFTOVYFWEHA-CHWSQXEVSA-N 1 2 297.362 1.441 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2CCCCC2)C1 ZINC001035265483 751889331 /nfs/dbraw/zinc/88/93/31/751889331.db2.gz VDXSDIDFVWFSDM-AWEZNQCLSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C2CCCCC2)C1 ZINC001035265483 751889332 /nfs/dbraw/zinc/88/93/32/751889332.db2.gz VDXSDIDFVWFSDM-AWEZNQCLSA-N 1 2 266.385 1.570 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)c[nH]2)C1 ZINC001035294445 751889359 /nfs/dbraw/zinc/88/93/59/751889359.db2.gz SQBCSNINYRIULL-LBPRGKRZSA-N 1 2 297.786 1.675 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)c[nH]2)C1 ZINC001035294445 751889362 /nfs/dbraw/zinc/88/93/62/751889362.db2.gz SQBCSNINYRIULL-LBPRGKRZSA-N 1 2 297.786 1.675 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000796121140 751891737 /nfs/dbraw/zinc/89/17/37/751891737.db2.gz ILUNODSFPYLUFX-NSHDSACASA-N 1 2 280.821 1.342 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000796121140 751891738 /nfs/dbraw/zinc/89/17/38/751891738.db2.gz ILUNODSFPYLUFX-NSHDSACASA-N 1 2 280.821 1.342 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CC3CCC3)C[C@H]21 ZINC001074202443 751894621 /nfs/dbraw/zinc/89/46/21/751894621.db2.gz YFMZTXYYZAZTMP-CVEARBPZSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC3CCC3)C[C@H]21 ZINC001074202443 751894623 /nfs/dbraw/zinc/89/46/23/751894623.db2.gz YFMZTXYYZAZTMP-CVEARBPZSA-N 1 2 290.407 1.502 20 30 CDEDLO N#CCN1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001031879189 752013359 /nfs/dbraw/zinc/01/33/59/752013359.db2.gz JWCIIMFFTZYSJT-UHFFFAOYSA-N 1 2 295.346 1.057 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(F)cc1C ZINC000884050531 752091577 /nfs/dbraw/zinc/09/15/77/752091577.db2.gz CJUYPLSBOYKOSZ-NSHDSACASA-N 1 2 280.299 1.519 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC001043979820 752099643 /nfs/dbraw/zinc/09/96/43/752099643.db2.gz DHIBGBWNWGOCKB-UHFFFAOYSA-N 1 2 298.346 1.048 20 30 CDEDLO CCCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001050869629 752099894 /nfs/dbraw/zinc/09/98/94/752099894.db2.gz WIDGDBWQKAOVEI-CYBMUJFWSA-N 1 2 290.367 1.117 20 30 CDEDLO CCCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001050869629 752099908 /nfs/dbraw/zinc/09/99/08/752099908.db2.gz 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/nfs/dbraw/zinc/30/32/54/750303254.db2.gz KLVPOKPYBMMPGJ-UONOGXRCSA-N 1 2 273.336 1.195 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2sc(C)cc2OC)C1 ZINC001044004842 750318543 /nfs/dbraw/zinc/31/85/43/750318543.db2.gz QYQXHQZWLNXZHI-UHFFFAOYSA-N 1 2 292.404 1.845 20 30 CDEDLO C=C(C)CONC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000845604574 750330896 /nfs/dbraw/zinc/33/08/96/750330896.db2.gz BTLHHDSOZDYGRE-UHFFFAOYSA-N 1 2 291.355 1.124 20 30 CDEDLO C[C@@H](C#N)OCC[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000801935498 750368603 /nfs/dbraw/zinc/36/86/03/750368603.db2.gz GCBXXBUEYHNQBF-MNOVXSKESA-N 1 2 279.306 1.483 20 30 CDEDLO C[C@@H](C#N)OCC[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000801935498 750368609 /nfs/dbraw/zinc/36/86/09/750368609.db2.gz GCBXXBUEYHNQBF-MNOVXSKESA-N 1 2 279.306 1.483 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccccc1C ZINC001018234071 750373853 /nfs/dbraw/zinc/37/38/53/750373853.db2.gz OCBOJTOGZNFLAZ-IYBDPMFKSA-N 1 2 298.386 1.682 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccccc1C ZINC001018234071 750373864 /nfs/dbraw/zinc/37/38/64/750373864.db2.gz OCBOJTOGZNFLAZ-IYBDPMFKSA-N 1 2 298.386 1.682 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCO1)O2 ZINC001053564558 750393058 /nfs/dbraw/zinc/39/30/58/750393058.db2.gz CUSAXHGNACVTSO-KBPBESRZSA-N 1 2 294.395 1.091 20 30 CDEDLO CC(C)CC[N@H+](C)Cn1nc(CC#N)n(C)c1=S ZINC000794623137 750424483 /nfs/dbraw/zinc/42/44/83/750424483.db2.gz ITQPFBFEUOYLJO-UHFFFAOYSA-N 1 2 267.402 1.953 20 30 CDEDLO CC(C)CC[N@@H+](C)Cn1nc(CC#N)n(C)c1=S ZINC000794623137 750424512 /nfs/dbraw/zinc/42/45/12/750424512.db2.gz ITQPFBFEUOYLJO-UHFFFAOYSA-N 1 2 267.402 1.953 20 30 CDEDLO C#CCCN(CC(F)(F)F)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000832276746 750549274 /nfs/dbraw/zinc/54/92/74/750549274.db2.gz ZCMMFDQLWNNNCK-GHMZBOCLSA-N 1 2 299.296 1.938 20 30 CDEDLO CCOC1CC([N@H+](C)Cn2ccc(C)c(C#N)c2=O)C1 ZINC000808213736 750576416 /nfs/dbraw/zinc/57/64/16/750576416.db2.gz PJHIYGCGTDRZLT-UHFFFAOYSA-N 1 2 275.352 1.485 20 30 CDEDLO CCOC1CC([N@@H+](C)Cn2ccc(C)c(C#N)c2=O)C1 ZINC000808213736 750576432 /nfs/dbraw/zinc/57/64/32/750576432.db2.gz PJHIYGCGTDRZLT-UHFFFAOYSA-N 1 2 275.352 1.485 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(O)cc2F)C1 ZINC000923561991 750583078 /nfs/dbraw/zinc/58/30/78/750583078.db2.gz BHHOZIHLGKOREF-LLVKDONJSA-N 1 2 276.311 1.359 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(O)cc2F)C1 ZINC000923561991 750583094 /nfs/dbraw/zinc/58/30/94/750583094.db2.gz BHHOZIHLGKOREF-LLVKDONJSA-N 1 2 276.311 1.359 20 30 CDEDLO C(=[NH+]Nc1cncnc1)c1ccc(N2CCOCC2)cc1 ZINC000794977891 750685151 /nfs/dbraw/zinc/68/51/51/750685151.db2.gz BWTJQCNATVTDKE-UHFFFAOYSA-N 1 2 283.335 1.759 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C(F)F)C2)s1 ZINC001006513558 750686782 /nfs/dbraw/zinc/68/67/82/750686782.db2.gz NEQCRBNEJPLGLG-SECBINFHSA-N 1 2 299.346 1.965 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C(F)F)C2)s1 ZINC001006513558 750686783 /nfs/dbraw/zinc/68/67/83/750686783.db2.gz NEQCRBNEJPLGLG-SECBINFHSA-N 1 2 299.346 1.965 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933326090 750765212 /nfs/dbraw/zinc/76/52/12/750765212.db2.gz GBCWZYRKYUBETF-GJZGRUSLSA-N 1 2 274.364 1.487 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933326090 750765216 /nfs/dbraw/zinc/76/52/16/750765216.db2.gz GBCWZYRKYUBETF-GJZGRUSLSA-N 1 2 274.364 1.487 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1c2ccccc2CC[C@H]1O ZINC000886705663 750780302 /nfs/dbraw/zinc/78/03/02/750780302.db2.gz VXEDQNUMTRQUGZ-BBWFWOEESA-N 1 2 298.386 1.249 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1c2ccccc2CC[C@H]1O ZINC000886705663 750780326 /nfs/dbraw/zinc/78/03/26/750780326.db2.gz VXEDQNUMTRQUGZ-BBWFWOEESA-N 1 2 298.386 1.249 20 30 CDEDLO C=CCC1(O)CC[NH+](CN2C(=O)SC(C)(C)C2=O)CC1 ZINC000884479007 750783836 /nfs/dbraw/zinc/78/38/36/750783836.db2.gz SJULZYLTXFUOMH-UHFFFAOYSA-N 1 2 298.408 1.821 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncn2ccc(C)cc12 ZINC001032485853 750786438 /nfs/dbraw/zinc/78/64/38/750786438.db2.gz BFOPVOUIMQVNNF-KBPBESRZSA-N 1 2 294.358 1.175 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncn2ccc(C)cc12 ZINC001032485853 750786456 /nfs/dbraw/zinc/78/64/56/750786456.db2.gz BFOPVOUIMQVNNF-KBPBESRZSA-N 1 2 294.358 1.175 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCO[C@H]2CC)C1 ZINC001042883904 750808218 /nfs/dbraw/zinc/80/82/18/750808218.db2.gz DHWZZPAQZILSBZ-GJZGRUSLSA-N 1 2 280.412 1.910 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001032708955 750808795 /nfs/dbraw/zinc/80/87/95/750808795.db2.gz KBAKAULWDHAIEH-AVGNSLFASA-N 1 2 298.390 1.066 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001032708955 750808796 /nfs/dbraw/zinc/80/87/96/750808796.db2.gz KBAKAULWDHAIEH-AVGNSLFASA-N 1 2 298.390 1.066 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nc(OC)c1 ZINC001017858023 750814817 /nfs/dbraw/zinc/81/48/17/750814817.db2.gz XBDTYPFTCBEINW-GASCZTMLSA-N 1 2 299.374 1.321 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nc(OC)c1 ZINC001017858023 750814820 /nfs/dbraw/zinc/81/48/20/750814820.db2.gz XBDTYPFTCBEINW-GASCZTMLSA-N 1 2 299.374 1.321 20 30 CDEDLO C[C@H](CC(=O)OCCO[C@@H](C)C#N)n1cc[nH+]c1 ZINC000845285766 750824185 /nfs/dbraw/zinc/82/41/85/750824185.db2.gz SONAOPRKFOYKOQ-MNOVXSKESA-N 1 2 251.286 1.306 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2cn(CC)nn2)CC1 ZINC000931750665 750828785 /nfs/dbraw/zinc/82/87/85/750828785.db2.gz MFCNMWZLWRMSAJ-UHFFFAOYSA-N 1 2 250.346 1.201 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2ncnn2CCC)CC1 ZINC000717439680 750835023 /nfs/dbraw/zinc/83/50/23/750835023.db2.gz DALOAVUXROMMBI-UHFFFAOYSA-N 1 2 264.373 1.591 20 30 CDEDLO C=C(C)C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)OCC ZINC000881757325 750843817 /nfs/dbraw/zinc/84/38/17/750843817.db2.gz UNIXFMLFSNLHCR-STQMWFEESA-N 1 2 293.367 1.848 20 30 CDEDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1CCO[C@@H](C)C#N ZINC000381073356 750846861 /nfs/dbraw/zinc/84/68/61/750846861.db2.gz DJECFIXWHXYDNS-RYUDHWBXSA-N 1 2 254.330 1.333 20 30 CDEDLO CCOC(=O)[C@@H]1CCCC[N@H+]1CCO[C@@H](C)C#N ZINC000381073356 750846862 /nfs/dbraw/zinc/84/68/62/750846862.db2.gz DJECFIXWHXYDNS-RYUDHWBXSA-N 1 2 254.330 1.333 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NCCN(C)C(=O)OC ZINC000853873848 750848065 /nfs/dbraw/zinc/84/80/65/750848065.db2.gz KJOFYEDIDCEMES-UHFFFAOYSA-N 1 2 291.351 1.984 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(CCC)[nH]n2)C1 ZINC001033314285 750852691 /nfs/dbraw/zinc/85/26/91/750852691.db2.gz STCLGHKTGQAENU-ZDUSSCGKSA-N 1 2 274.368 1.142 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(CCC)[nH]n2)C1 ZINC001033314285 750852692 /nfs/dbraw/zinc/85/26/92/750852692.db2.gz STCLGHKTGQAENU-ZDUSSCGKSA-N 1 2 274.368 1.142 20 30 CDEDLO N#Cc1ccccc1/C=C\C(=O)NCCc1[nH]cc[nH+]1 ZINC000255223847 750856137 /nfs/dbraw/zinc/85/61/37/750856137.db2.gz XGUOEDCTKFLQTO-WAYWQWQTSA-N 1 2 266.304 1.653 20 30 CDEDLO C#CCN1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038418641 750873726 /nfs/dbraw/zinc/87/37/26/750873726.db2.gz YELRCLYZMQBRJN-LBPRGKRZSA-N 1 2 268.320 1.000 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2c[nH]ccc-2n1 ZINC001038418641 750873728 /nfs/dbraw/zinc/87/37/28/750873728.db2.gz YELRCLYZMQBRJN-LBPRGKRZSA-N 1 2 268.320 1.000 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c[nH]ccc-2n1 ZINC001038418641 750873729 /nfs/dbraw/zinc/87/37/29/750873729.db2.gz YELRCLYZMQBRJN-LBPRGKRZSA-N 1 2 268.320 1.000 20 30 CDEDLO C=CC[NH2+][C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC000999212378 750878124 /nfs/dbraw/zinc/87/81/24/750878124.db2.gz YSNILFHLBXCEQK-RKDXNWHRSA-N 1 2 268.254 1.653 20 30 CDEDLO C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000999212378 750878128 /nfs/dbraw/zinc/87/81/28/750878128.db2.gz YSNILFHLBXCEQK-RKDXNWHRSA-N 1 2 268.254 1.653 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)c2ncccc2O)C1 ZINC001028501209 750889913 /nfs/dbraw/zinc/88/99/13/750889913.db2.gz WBYWZFMCMPEGRY-LLVKDONJSA-N 1 2 295.770 1.591 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)c2ncccc2O)C1 ZINC001028501209 750889914 /nfs/dbraw/zinc/88/99/14/750889914.db2.gz WBYWZFMCMPEGRY-LLVKDONJSA-N 1 2 295.770 1.591 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1(C3CC3)CC1)CO2 ZINC001053842782 750921492 /nfs/dbraw/zinc/92/14/92/750921492.db2.gz VRLOOJQWKKLHCJ-AWEZNQCLSA-N 1 2 290.407 1.712 20 30 CDEDLO C=C(C)C[C@@H](CO)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000883749803 750927855 /nfs/dbraw/zinc/92/78/55/750927855.db2.gz RAOIPTKOEOQSIK-AWEZNQCLSA-N 1 2 277.368 1.825 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c(Cl)cccc2OC)C1 ZINC001031438279 750957325 /nfs/dbraw/zinc/95/73/25/750957325.db2.gz ZNVITDZGMYJMES-UHFFFAOYSA-N 1 2 292.766 1.786 20 30 CDEDLO C#CCC(C)(C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000855410750 751005681 /nfs/dbraw/zinc/00/56/81/751005681.db2.gz LNUURJSFCUDMOZ-STQMWFEESA-N 1 2 266.385 1.261 20 30 CDEDLO C#CCC(C)(C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000855410750 751005691 /nfs/dbraw/zinc/00/56/91/751005691.db2.gz LNUURJSFCUDMOZ-STQMWFEESA-N 1 2 266.385 1.261 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1noc2c1CCCC2 ZINC001038735521 751019780 /nfs/dbraw/zinc/01/97/80/751019780.db2.gz ITYFQAIZZGOXHV-NSHDSACASA-N 1 2 275.352 1.544 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1noc2c1CCCC2 ZINC001038735521 751019789 /nfs/dbraw/zinc/01/97/89/751019789.db2.gz ITYFQAIZZGOXHV-NSHDSACASA-N 1 2 275.352 1.544 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001043941512 751076090 /nfs/dbraw/zinc/07/60/90/751076090.db2.gz BPZASQPXPPZTOG-CHWSQXEVSA-N 1 2 260.337 1.712 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(N(C)C)cc1 ZINC001038963728 751140903 /nfs/dbraw/zinc/14/09/03/751140903.db2.gz BEZHDRSEJIHEHH-HNNXBMFYSA-N 1 2 271.364 1.190 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N(C)C)cc1 ZINC001038963728 751140920 /nfs/dbraw/zinc/14/09/20/751140920.db2.gz BEZHDRSEJIHEHH-HNNXBMFYSA-N 1 2 271.364 1.190 20 30 CDEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCO[C@@H](C(F)F)C2)CCC1 ZINC000886190524 751158995 /nfs/dbraw/zinc/15/89/95/751158995.db2.gz UUJDOVVSXSSXLZ-GHMZBOCLSA-N 1 2 274.311 1.397 20 30 CDEDLO N#CC1(C[C@@H](O)C[N@H+]2CCO[C@@H](C(F)F)C2)CCC1 ZINC000886190524 751159004 /nfs/dbraw/zinc/15/90/04/751159004.db2.gz UUJDOVVSXSSXLZ-GHMZBOCLSA-N 1 2 274.311 1.397 20 30 CDEDLO C[N@H+](CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)C1CC1 ZINC000170637713 751159243 /nfs/dbraw/zinc/15/92/43/751159243.db2.gz AKQRWGYGHSUUHB-MRXNPFEDSA-N 1 2 298.346 1.377 20 30 CDEDLO C[N@@H+](CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)C1CC1 ZINC000170637713 751159251 /nfs/dbraw/zinc/15/92/51/751159251.db2.gz AKQRWGYGHSUUHB-MRXNPFEDSA-N 1 2 298.346 1.377 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1ccc[nH]1)CCO2 ZINC001053537239 751210793 /nfs/dbraw/zinc/21/07/93/751210793.db2.gz XJKXSAGSAHYOEM-UHFFFAOYSA-N 1 2 289.379 1.047 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2onc(C)c2C)C1 ZINC001043022476 751223349 /nfs/dbraw/zinc/22/33/49/751223349.db2.gz AGZQZTZMWCRHKD-UHFFFAOYSA-N 1 2 261.325 1.071 20 30 CDEDLO C=CCC[C@@H]([NH2+]Cc1nnc2c(=O)[nH]ccn12)c1ccco1 ZINC000886704271 751258381 /nfs/dbraw/zinc/25/83/81/751258381.db2.gz AGQMXZDCWJGDCU-LLVKDONJSA-N 1 2 299.334 1.808 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)ccc1F ZINC001038749646 751304221 /nfs/dbraw/zinc/30/42/21/751304221.db2.gz MXYFZFVMLJKFKA-CYBMUJFWSA-N 1 2 274.339 1.962 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)ccc1F ZINC001038749646 751304225 /nfs/dbraw/zinc/30/42/25/751304225.db2.gz MXYFZFVMLJKFKA-CYBMUJFWSA-N 1 2 274.339 1.962 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2CCC(=C)CC2)C1 ZINC001035504054 751325380 /nfs/dbraw/zinc/32/53/80/751325380.db2.gz ZDJPTGGRRYAWON-OAHLLOKOSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C2CCC(=C)CC2)C1 ZINC001035504054 751325386 /nfs/dbraw/zinc/32/53/86/751325386.db2.gz ZDJPTGGRRYAWON-OAHLLOKOSA-N 1 2 278.396 1.736 20 30 CDEDLO CCOc1ccc(O)c(/C=[NH+]/CCCNC(C)=O)c1 ZINC000044656540 752350255 /nfs/dbraw/zinc/35/02/55/752350255.db2.gz FWTOXIMUYZMKKD-XNTDXEJSSA-N 1 2 264.325 1.736 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(COC)cc1 ZINC001032774253 752377411 /nfs/dbraw/zinc/37/74/11/752377411.db2.gz AWXRWTUWQJOAKG-HOTGVXAUSA-N 1 2 284.359 1.365 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(COC)cc1 ZINC001032774253 752377414 /nfs/dbraw/zinc/37/74/14/752377414.db2.gz AWXRWTUWQJOAKG-HOTGVXAUSA-N 1 2 284.359 1.365 20 30 CDEDLO C#CCNC(=S)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000758250061 752378258 /nfs/dbraw/zinc/37/82/58/752378258.db2.gz DHZYOAVVKZBUHH-UHFFFAOYSA-N 1 2 290.392 1.146 20 30 CDEDLO C=CC[N@H+](CN1C(=O)CC2(CCC2)C1=O)[C@@H](C)COC ZINC000853534808 752381647 /nfs/dbraw/zinc/38/16/47/752381647.db2.gz MNHKHMYPHSCZPF-LBPRGKRZSA-N 1 2 280.368 1.396 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)CC2(CCC2)C1=O)[C@@H](C)COC ZINC000853534808 752381659 /nfs/dbraw/zinc/38/16/59/752381659.db2.gz MNHKHMYPHSCZPF-LBPRGKRZSA-N 1 2 280.368 1.396 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(-c2cnco2)c1 ZINC001038871569 752382779 /nfs/dbraw/zinc/38/27/79/752382779.db2.gz HHYNRNXVERDAAS-OAHLLOKOSA-N 1 2 295.342 1.779 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(-c2cnco2)c1 ZINC001038871569 752382789 /nfs/dbraw/zinc/38/27/89/752382789.db2.gz HHYNRNXVERDAAS-OAHLLOKOSA-N 1 2 295.342 1.779 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1n[nH]c(C)c1C ZINC001027798230 752384938 /nfs/dbraw/zinc/38/49/38/752384938.db2.gz DLVFJASYKWGPJD-GFCCVEGCSA-N 1 2 296.802 1.973 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(C)=O)C1 ZINC001046087531 752457858 /nfs/dbraw/zinc/45/78/58/752457858.db2.gz TWHGTBCJLGNVAM-SNVBAGLBSA-N 1 2 261.163 1.496 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(C)=O)C1 ZINC001046087531 752457889 /nfs/dbraw/zinc/45/78/89/752457889.db2.gz TWHGTBCJLGNVAM-SNVBAGLBSA-N 1 2 261.163 1.496 20 30 CDEDLO C#CC[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1ccccc1 ZINC000866997924 752463578 /nfs/dbraw/zinc/46/35/78/752463578.db2.gz AXVKCXGDSNZTPE-BHMZLHOFSA-N 1 2 298.386 1.756 20 30 CDEDLO Cc1nn(-c2ccccc2)c(N)c1C=NNC1=[NH+]C[C@H](C)N1 ZINC000794926546 752599274 /nfs/dbraw/zinc/59/92/74/752599274.db2.gz AQHKWWXZEHEICK-JTQLQIEISA-N 1 2 297.366 1.034 20 30 CDEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]NC1=NC[C@H](C)N1 ZINC000794926546 752599313 /nfs/dbraw/zinc/59/93/13/752599313.db2.gz AQHKWWXZEHEICK-JTQLQIEISA-N 1 2 297.366 1.034 20 30 CDEDLO C#C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccc1O)C(C)C ZINC000822665971 752599592 /nfs/dbraw/zinc/59/95/92/752599592.db2.gz AXYYBOBJLORMLD-CQSZACIVSA-N 1 2 283.331 1.966 20 30 CDEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)CC)C2)CC1 ZINC001051985344 752715975 /nfs/dbraw/zinc/71/59/75/752715975.db2.gz WOPUVSHLZQOOTP-JKSUJKDBSA-N 1 2 293.455 1.827 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046252586 752732332 /nfs/dbraw/zinc/73/23/32/752732332.db2.gz DGVPFSVCUQHEIA-AWEZNQCLSA-N 1 2 292.770 1.833 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046252586 752732350 /nfs/dbraw/zinc/73/23/50/752732350.db2.gz DGVPFSVCUQHEIA-AWEZNQCLSA-N 1 2 292.770 1.833 20 30 CDEDLO CCC[C@](C)([NH2+]C[C@H](O)CC1(C#N)CCC1)C(=O)OC ZINC000886014461 752754600 /nfs/dbraw/zinc/75/46/00/752754600.db2.gz HXCVEKRRPFOGFS-OCCSQVGLSA-N 1 2 282.384 1.753 20 30 CDEDLO C=CC[N@H+](Cc1noc2c1COCC2)[C@@H](C)COC ZINC000930932680 752814014 /nfs/dbraw/zinc/81/40/14/752814014.db2.gz LSBGXTREGRFCEV-NSHDSACASA-N 1 2 266.341 1.770 20 30 CDEDLO C=CC[N@@H+](Cc1noc2c1COCC2)[C@@H](C)COC ZINC000930932680 752814016 /nfs/dbraw/zinc/81/40/16/752814016.db2.gz LSBGXTREGRFCEV-NSHDSACASA-N 1 2 266.341 1.770 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001043927437 752834482 /nfs/dbraw/zinc/83/44/82/752834482.db2.gz OJAZQUCTECGTHR-DGCLKSJQSA-N 1 2 252.358 1.273 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cc(C)nn2C)C1 ZINC001015258100 752836192 /nfs/dbraw/zinc/83/61/92/752836192.db2.gz VRGUJXIYQHFJTJ-GFCCVEGCSA-N 1 2 296.802 1.214 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc(C)nn2C)C1 ZINC001015258100 752836195 /nfs/dbraw/zinc/83/61/95/752836195.db2.gz VRGUJXIYQHFJTJ-GFCCVEGCSA-N 1 2 296.802 1.214 20 30 CDEDLO CC[N@H+](CCC#N)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851797914 752842126 /nfs/dbraw/zinc/84/21/26/752842126.db2.gz MYLKVZJMOFKAAR-ZDUSSCGKSA-N 1 2 297.399 1.858 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851797914 752842128 /nfs/dbraw/zinc/84/21/28/752842128.db2.gz MYLKVZJMOFKAAR-ZDUSSCGKSA-N 1 2 297.399 1.858 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001035478987 752843080 /nfs/dbraw/zinc/84/30/80/752843080.db2.gz SQHSZSPVDRCENK-ZOBORPQBSA-N 1 2 264.369 1.036 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001035478987 752843081 /nfs/dbraw/zinc/84/30/81/752843081.db2.gz SQHSZSPVDRCENK-ZOBORPQBSA-N 1 2 264.369 1.036 20 30 CDEDLO C#CC1CC[NH+](CN2C(=O)c3ccccc3C2=O)CC1 ZINC000842633137 752857469 /nfs/dbraw/zinc/85/74/69/752857469.db2.gz QRHQZHHQEGMLPL-UHFFFAOYSA-N 1 2 268.316 1.585 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cscc1C ZINC001032342409 752866294 /nfs/dbraw/zinc/86/62/94/752866294.db2.gz WMTQVZSZCOYAQH-STQMWFEESA-N 1 2 274.389 1.979 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cscc1C ZINC001032342409 752866297 /nfs/dbraw/zinc/86/62/97/752866297.db2.gz WMTQVZSZCOYAQH-STQMWFEESA-N 1 2 274.389 1.979 20 30 CDEDLO C=CC[N@H+](CN1CC2(CC1=O)CCOCC2)[C@H](C)COC ZINC000853535203 752871046 /nfs/dbraw/zinc/87/10/46/752871046.db2.gz QUSUNYDCJCBLDG-CQSZACIVSA-N 1 2 296.411 1.496 20 30 CDEDLO C=CC[N@@H+](CN1CC2(CC1=O)CCOCC2)[C@H](C)COC ZINC000853535203 752871050 /nfs/dbraw/zinc/87/10/50/752871050.db2.gz QUSUNYDCJCBLDG-CQSZACIVSA-N 1 2 296.411 1.496 20 30 CDEDLO C#CCOCC[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000851712303 752940959 /nfs/dbraw/zinc/94/09/59/752940959.db2.gz MPZOEDAEHVALNU-UHFFFAOYSA-N 1 2 290.338 1.233 20 30 CDEDLO Cc1nc(N(C)[C@@H]2CCCN(C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001061207626 752941446 /nfs/dbraw/zinc/94/14/46/752941446.db2.gz ONKNDIKKPHADKV-OAHLLOKOSA-N 1 2 298.390 1.626 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cncc(Cl)c2C)C1 ZINC001042987426 752947532 /nfs/dbraw/zinc/94/75/32/752947532.db2.gz JSEISTGRLVHREM-UHFFFAOYSA-N 1 2 291.782 1.823 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC001030714143 752980181 /nfs/dbraw/zinc/98/01/81/752980181.db2.gz WAHOMFLTRDBMLL-LSDHHAIUSA-N 1 2 278.396 1.711 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)nc1 ZINC000779097829 753006773 /nfs/dbraw/zinc/00/67/73/753006773.db2.gz XXOXIDWZZSQGPH-LBPRGKRZSA-N 1 2 266.304 1.004 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C1CC2(CC2)C1 ZINC001051110256 753026127 /nfs/dbraw/zinc/02/61/27/753026127.db2.gz XALPJOZWHOUYAN-CQSZACIVSA-N 1 2 278.396 1.570 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C1CC2(CC2)C1 ZINC001051110256 753026132 /nfs/dbraw/zinc/02/61/32/753026132.db2.gz XALPJOZWHOUYAN-CQSZACIVSA-N 1 2 278.396 1.570 20 30 CDEDLO Cc1nn(-c2ccccc2)c(C)c1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000779791851 753071882 /nfs/dbraw/zinc/07/18/82/753071882.db2.gz LSXJANHVRCLDTL-LLVKDONJSA-N 1 2 296.378 1.760 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC1CCC1)C(C)C ZINC000884335569 753117053 /nfs/dbraw/zinc/11/70/53/753117053.db2.gz WUDYPUUCIUMPGZ-ZDUSSCGKSA-N 1 2 282.384 1.470 20 30 CDEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)CC3CC3)C2)CC1 ZINC001051964795 753137966 /nfs/dbraw/zinc/13/79/66/753137966.db2.gz OGVXSJLBOOJQRF-MRXNPFEDSA-N 1 2 291.439 1.581 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccccc1OC ZINC001032771299 753198405 /nfs/dbraw/zinc/19/84/05/753198405.db2.gz VVFKGAYWGCBHGZ-GJZGRUSLSA-N 1 2 284.359 1.156 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccccc1OC ZINC001032771299 753198413 /nfs/dbraw/zinc/19/84/13/753198413.db2.gz VVFKGAYWGCBHGZ-GJZGRUSLSA-N 1 2 284.359 1.156 20 30 CDEDLO C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2[nH]nc3ccccc32)C1 ZINC001033633521 753215620 /nfs/dbraw/zinc/21/56/20/753215620.db2.gz UXALGYSSEMXWDX-GFCCVEGCSA-N 1 2 284.363 1.895 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2[nH]nc3ccccc32)C1 ZINC001033633521 753215636 /nfs/dbraw/zinc/21/56/36/753215636.db2.gz UXALGYSSEMXWDX-GFCCVEGCSA-N 1 2 284.363 1.895 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C(C)(F)F)CCO2 ZINC001053124696 753222109 /nfs/dbraw/zinc/22/21/09/753222109.db2.gz MOJAEXKNUPONTA-UHFFFAOYSA-N 1 2 274.311 1.131 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001035498257 753291414 /nfs/dbraw/zinc/29/14/14/753291414.db2.gz ZJLLGKQCLCXXNS-KGLIPLIRSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001035498257 753291419 /nfs/dbraw/zinc/29/14/19/753291419.db2.gz ZJLLGKQCLCXXNS-KGLIPLIRSA-N 1 2 280.412 1.816 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc(NCC)s2)C1 ZINC000923552405 753304381 /nfs/dbraw/zinc/30/43/81/753304381.db2.gz XUZXTTOHDBAFGP-LLVKDONJSA-N 1 2 292.408 1.402 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc(NCC)s2)C1 ZINC000923552405 753304386 /nfs/dbraw/zinc/30/43/86/753304386.db2.gz XUZXTTOHDBAFGP-LLVKDONJSA-N 1 2 292.408 1.402 20 30 CDEDLO CC#CC[C@@H](CO)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000826823035 753306562 /nfs/dbraw/zinc/30/65/62/753306562.db2.gz PVBPOTRSZCHFMM-NSHDSACASA-N 1 2 287.367 1.768 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]n1 ZINC001039337864 753338492 /nfs/dbraw/zinc/33/84/92/753338492.db2.gz QBCALXUHEFMUFK-NEPJUHHUSA-N 1 2 294.786 1.841 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]n1 ZINC001039337864 753338494 /nfs/dbraw/zinc/33/84/94/753338494.db2.gz QBCALXUHEFMUFK-NEPJUHHUSA-N 1 2 294.786 1.841 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn[nH]1 ZINC001039337864 753338496 /nfs/dbraw/zinc/33/84/96/753338496.db2.gz QBCALXUHEFMUFK-NEPJUHHUSA-N 1 2 294.786 1.841 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn[nH]1 ZINC001039337864 753338498 /nfs/dbraw/zinc/33/84/98/753338498.db2.gz QBCALXUHEFMUFK-NEPJUHHUSA-N 1 2 294.786 1.841 20 30 CDEDLO Cc1cc(=O)[nH]c(N=NC2CC[NH+](CC(C)(C)O)CC2)n1 ZINC000814212683 753352042 /nfs/dbraw/zinc/35/20/42/753352042.db2.gz VRZJIIKNCQAOKJ-UHFFFAOYSA-N 1 2 293.371 1.125 20 30 CDEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)/C(C)=C\C)C2)CC1 ZINC001052010088 753356312 /nfs/dbraw/zinc/35/63/12/753356312.db2.gz SONTYCGOUNHENG-DNBBOTNYSA-N 1 2 291.439 1.747 20 30 CDEDLO CCCO[NH+]=Cc1cnc(N2CCOCC2)s1 ZINC000842552752 753359484 /nfs/dbraw/zinc/35/94/84/753359484.db2.gz GEMAWYQDELLGAD-UHFFFAOYSA-N 1 2 255.343 1.740 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cocn2)C1 ZINC001033767792 753361332 /nfs/dbraw/zinc/36/13/32/753361332.db2.gz SRRATGJCWTVHAV-LLVKDONJSA-N 1 2 283.759 1.964 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cocn2)C1 ZINC001033767792 753361334 /nfs/dbraw/zinc/36/13/34/753361334.db2.gz SRRATGJCWTVHAV-LLVKDONJSA-N 1 2 283.759 1.964 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2coc(C(F)F)c2)C1 ZINC001043654555 753408032 /nfs/dbraw/zinc/40/80/32/753408032.db2.gz XNUQJSGDEYFIHA-UHFFFAOYSA-N 1 2 282.290 1.997 20 30 CDEDLO COc1cc(C#N)ccc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000823634022 753420851 /nfs/dbraw/zinc/42/08/51/753420851.db2.gz FNLJEKMAPKUYRR-GFCCVEGCSA-N 1 2 296.330 1.508 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2ccccc2CC)C1 ZINC001030510747 753535510 /nfs/dbraw/zinc/53/55/10/753535510.db2.gz ATIOJFXXOJBBAA-UHFFFAOYSA-N 1 2 258.365 1.778 20 30 CDEDLO C=CCN1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001030528684 753539500 /nfs/dbraw/zinc/53/95/00/753539500.db2.gz GJVIDKCMDAGMJX-UHFFFAOYSA-N 1 2 256.309 1.163 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(C)nc1C1CC1 ZINC001038982938 753588289 /nfs/dbraw/zinc/58/82/89/753588289.db2.gz COBAPNJCJUBKID-CQSZACIVSA-N 1 2 298.390 1.490 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(C)nc1C1CC1 ZINC001038982938 753588304 /nfs/dbraw/zinc/58/83/04/753588304.db2.gz COBAPNJCJUBKID-CQSZACIVSA-N 1 2 298.390 1.490 20 30 CDEDLO c1cn(-c2ccc(CN=Nc3nc[nH]n3)cc2)c[nH+]1 ZINC000807998290 753608608 /nfs/dbraw/zinc/60/86/08/753608608.db2.gz YOFDQXYOOIAXTL-UHFFFAOYSA-N 1 2 253.269 1.436 20 30 CDEDLO C#CCC(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000185484285 753628209 /nfs/dbraw/zinc/62/82/09/753628209.db2.gz JLIOOQTYMDTXAY-CHWSQXEVSA-N 1 2 266.385 1.261 20 30 CDEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](CC(=C)C)C2)nc1 ZINC001044203323 753653005 /nfs/dbraw/zinc/65/30/05/753653005.db2.gz KMOGXDOXSOEQAZ-UHFFFAOYSA-N 1 2 269.348 1.395 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(Cl)n1 ZINC001032718493 753673700 /nfs/dbraw/zinc/67/37/00/753673700.db2.gz ZWNQPLNFABSZLX-UWVGGRQHSA-N 1 2 295.795 1.719 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(Cl)n1 ZINC001032718493 753673708 /nfs/dbraw/zinc/67/37/08/753673708.db2.gz ZWNQPLNFABSZLX-UWVGGRQHSA-N 1 2 295.795 1.719 20 30 CDEDLO O=C(/C=C\C[NH+]1CCOCC1)NCC#Cc1ccccc1 ZINC000864671732 753702300 /nfs/dbraw/zinc/70/23/00/753702300.db2.gz SHCWDQNTDIVVKX-UITAMQMPSA-N 1 2 284.359 1.043 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1OC ZINC001018243602 753740888 /nfs/dbraw/zinc/74/08/88/753740888.db2.gz LJSMWYCPQZLWQO-IYBDPMFKSA-N 1 2 298.386 1.546 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1OC ZINC001018243602 753740894 /nfs/dbraw/zinc/74/08/94/753740894.db2.gz LJSMWYCPQZLWQO-IYBDPMFKSA-N 1 2 298.386 1.546 20 30 CDEDLO Cc1nc(N[C@H]2CCCN(C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001057638945 753767065 /nfs/dbraw/zinc/76/70/65/753767065.db2.gz NQINRIHHSALFRP-AWEZNQCLSA-N 1 2 284.363 1.601 20 30 CDEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)c(C)o1 ZINC000971209272 753807296 /nfs/dbraw/zinc/80/72/96/753807296.db2.gz BZGMRUADOWRINH-GXFFZTMASA-N 1 2 290.367 1.484 20 30 CDEDLO Cc1nc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)c(C)o1 ZINC000971209272 753807301 /nfs/dbraw/zinc/80/73/01/753807301.db2.gz BZGMRUADOWRINH-GXFFZTMASA-N 1 2 290.367 1.484 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccc3nccn32)C1 ZINC001043328788 753836037 /nfs/dbraw/zinc/83/60/37/753836037.db2.gz VIBCBTXRNPESDL-UHFFFAOYSA-N 1 2 282.347 1.114 20 30 CDEDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@H]1C#N ZINC001173223041 912309367 /nfs/dbraw/zinc/30/93/67/912309367.db2.gz WVWRSXJMIDPJHZ-BXUZGUMPSA-N 1 2 274.324 1.323 20 30 CDEDLO COC(=O)[C@]1([NH2+]C2CCC(C)(C#N)CC2)CCOC1 ZINC001173593280 912637230 /nfs/dbraw/zinc/63/72/30/912637230.db2.gz LRANSTZGHADWAL-UBHUBRDASA-N 1 2 266.341 1.381 20 30 CDEDLO CCc1cc(C)c(C#N)c(OC[C@@H]2C[N@H+](C)CCO2)n1 ZINC001233557382 912871165 /nfs/dbraw/zinc/87/11/65/912871165.db2.gz YCZBEKNDUVWKPS-ZDUSSCGKSA-N 1 2 275.352 1.534 20 30 CDEDLO CCc1cc(C)c(C#N)c(OC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001233557382 912871177 /nfs/dbraw/zinc/87/11/77/912871177.db2.gz YCZBEKNDUVWKPS-ZDUSSCGKSA-N 1 2 275.352 1.534 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC001030847839 912898370 /nfs/dbraw/zinc/89/83/70/912898370.db2.gz NCUBSDOTNSXZBH-OAHLLOKOSA-N 1 2 272.323 1.289 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)cn1 ZINC001140545351 896716387 /nfs/dbraw/zinc/71/63/87/896716387.db2.gz AOEYTIKPHGHHHH-AWEZNQCLSA-N 1 2 272.308 1.028 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)cn1 ZINC001140545351 896716395 /nfs/dbraw/zinc/71/63/95/896716395.db2.gz AOEYTIKPHGHHHH-AWEZNQCLSA-N 1 2 272.308 1.028 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccncc1 ZINC001267182494 897043430 /nfs/dbraw/zinc/04/34/30/897043430.db2.gz GAGHFMGFNAIJLO-UHFFFAOYSA-N 1 2 253.733 1.496 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccncc1 ZINC001267182494 897043442 /nfs/dbraw/zinc/04/34/42/897043442.db2.gz GAGHFMGFNAIJLO-UHFFFAOYSA-N 1 2 253.733 1.496 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cn[nH]n2)C1 ZINC001025470334 898934306 /nfs/dbraw/zinc/93/43/06/898934306.db2.gz WHNOKROZCCTRGA-QWRGUYRKSA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cn[nH]n2)C1 ZINC001025470334 898934311 /nfs/dbraw/zinc/93/43/11/898934311.db2.gz WHNOKROZCCTRGA-QWRGUYRKSA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cnn[nH]2)C1 ZINC001025470334 898934313 /nfs/dbraw/zinc/93/43/13/898934313.db2.gz WHNOKROZCCTRGA-QWRGUYRKSA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cnn[nH]2)C1 ZINC001025470334 898934320 /nfs/dbraw/zinc/93/43/20/898934320.db2.gz WHNOKROZCCTRGA-QWRGUYRKSA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CCOCC1 ZINC001027719207 900767993 /nfs/dbraw/zinc/76/79/93/900767993.db2.gz DKRIJLQSQBIVLS-CYBMUJFWSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C1CCOCC1 ZINC001027719207 900768005 /nfs/dbraw/zinc/76/80/05/900768005.db2.gz DKRIJLQSQBIVLS-CYBMUJFWSA-N 1 2 286.803 1.746 20 30 CDEDLO CCc1ccc(C[NH+]2CC(NC(=O)[C@H](C)C#N)C2)cc1 ZINC001481549096 901189732 /nfs/dbraw/zinc/18/97/32/901189732.db2.gz AQFZZRIFKJVHAW-GFCCVEGCSA-N 1 2 271.364 1.709 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)Cc2cncc(C)c2)C1 ZINC001481636033 901556065 /nfs/dbraw/zinc/55/60/65/901556065.db2.gz BICNKKXIAJXSHH-UHFFFAOYSA-N 1 2 293.798 1.733 20 30 CDEDLO CC1(C)C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCN(CC#N)C1 ZINC001089506568 914769630 /nfs/dbraw/zinc/76/96/30/914769630.db2.gz MCAXJMLHWYJEPY-GFCCVEGCSA-N 1 2 289.383 1.083 20 30 CDEDLO N#Cc1cc(CC(=O)N2CCC(n3cc[nH+]c3)CC2)ccn1 ZINC001177667621 914839178 /nfs/dbraw/zinc/83/91/78/914839178.db2.gz BJDDUCPSJIZDNO-UHFFFAOYSA-N 1 2 295.346 1.556 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001567894216 1169045448 /nfs/dbraw/zinc/04/54/48/1169045448.db2.gz WEEOSHQLYSEISD-CQSZACIVSA-N 1 2 288.395 1.688 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2cnc(C)nc2)C1 ZINC001567894216 1169045458 /nfs/dbraw/zinc/04/54/58/1169045458.db2.gz WEEOSHQLYSEISD-CQSZACIVSA-N 1 2 288.395 1.688 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CC)[C@H]1C ZINC001088436079 907191884 /nfs/dbraw/zinc/19/18/84/907191884.db2.gz YXKAWVNPFBJSAS-ZJUUUORDSA-N 1 2 275.190 1.884 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CC)[C@H]1C ZINC001088436079 907191890 /nfs/dbraw/zinc/19/18/90/907191890.db2.gz YXKAWVNPFBJSAS-ZJUUUORDSA-N 1 2 275.190 1.884 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccnc(Cl)n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228951919 907658939 /nfs/dbraw/zinc/65/89/39/907658939.db2.gz MVDXGBMTTLZUAQ-ZTEPNEHBSA-N 1 2 267.716 1.121 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccnc(Cl)n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228951919 907658950 /nfs/dbraw/zinc/65/89/50/907658950.db2.gz MVDXGBMTTLZUAQ-ZTEPNEHBSA-N 1 2 267.716 1.121 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2nc(C)no2)C1 ZINC001189269921 921415911 /nfs/dbraw/zinc/41/59/11/921415911.db2.gz MSDMQWHAIHKPOR-YPMHNXCESA-N 1 2 292.383 1.938 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2nc(C)no2)C1 ZINC001189269921 921415915 /nfs/dbraw/zinc/41/59/15/921415915.db2.gz MSDMQWHAIHKPOR-YPMHNXCESA-N 1 2 292.383 1.938 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2nocc2C)C1 ZINC001189318246 921426090 /nfs/dbraw/zinc/42/60/90/921426090.db2.gz HWGSGWQOBKTUPG-CYBMUJFWSA-N 1 2 277.368 1.982 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2nocc2C)C1 ZINC001189318246 921426095 /nfs/dbraw/zinc/42/60/95/921426095.db2.gz HWGSGWQOBKTUPG-CYBMUJFWSA-N 1 2 277.368 1.982 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccoc2C)[C@@H](O)C1 ZINC001090055225 921517062 /nfs/dbraw/zinc/51/70/62/921517062.db2.gz PZYJLIGVHZQMGM-OLZOCXBDSA-N 1 2 298.770 1.506 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccoc2C)[C@@H](O)C1 ZINC001090055225 921517072 /nfs/dbraw/zinc/51/70/72/921517072.db2.gz PZYJLIGVHZQMGM-OLZOCXBDSA-N 1 2 298.770 1.506 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001093516658 909895580 /nfs/dbraw/zinc/89/55/80/909895580.db2.gz CNMGTLDPQWGSQJ-GFCCVEGCSA-N 1 2 277.368 1.024 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3CC3(C)C)CC2)C1 ZINC001093525929 909905473 /nfs/dbraw/zinc/90/54/73/909905473.db2.gz HQJKQAHXUPCEEC-OAHLLOKOSA-N 1 2 292.423 1.910 20 30 CDEDLO N#Cc1ccc(NCCNC(=O)CCCn2cc[nH+]c2)cn1 ZINC001093714678 910121102 /nfs/dbraw/zinc/12/11/02/910121102.db2.gz SJBUNPXOXWDHOV-UHFFFAOYSA-N 1 2 298.350 1.158 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)NCCCNc1ccc(C#N)cn1 ZINC001094525096 910644708 /nfs/dbraw/zinc/64/47/08/910644708.db2.gz XHXMICPNBHMVMR-UHFFFAOYSA-N 1 2 298.350 1.146 20 30 CDEDLO CCCCCCNC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057906413 911546031 /nfs/dbraw/zinc/54/60/31/911546031.db2.gz ISYALUNTDUMZIM-UHFFFAOYSA-N 1 2 251.374 1.918 20 30 CDEDLO Cn1cnc(C#N)c1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212667267 911720196 /nfs/dbraw/zinc/72/01/96/911720196.db2.gz JGBBLFOLUGKYMD-UHFFFAOYSA-N 1 2 283.335 1.212 20 30 CDEDLO CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ncn[nH]1 ZINC001089711769 915505703 /nfs/dbraw/zinc/50/57/03/915505703.db2.gz ASCMUWIGEKEXKP-GFCCVEGCSA-N 1 2 289.383 1.048 20 30 CDEDLO CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1nc[nH]n1 ZINC001089711769 915505712 /nfs/dbraw/zinc/50/57/12/915505712.db2.gz ASCMUWIGEKEXKP-GFCCVEGCSA-N 1 2 289.383 1.048 20 30 CDEDLO CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1nc[nH]n1 ZINC001089711769 915505722 /nfs/dbraw/zinc/50/57/22/915505722.db2.gz ASCMUWIGEKEXKP-GFCCVEGCSA-N 1 2 289.383 1.048 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC(C)=O)C2 ZINC001110280074 917777106 /nfs/dbraw/zinc/77/71/06/917777106.db2.gz KMTBPZCVNJUPCG-MCIONIFRSA-N 1 2 262.353 1.100 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC(C)=O)C2 ZINC001110280074 917777119 /nfs/dbraw/zinc/77/71/19/917777119.db2.gz KMTBPZCVNJUPCG-MCIONIFRSA-N 1 2 262.353 1.100 20 30 CDEDLO N#Cc1ccc(NC/C=C\CNC(=O)Cc2[nH]cc[nH+]2)nc1 ZINC001107312803 918321741 /nfs/dbraw/zinc/32/17/41/918321741.db2.gz WJOKUBHWJIJPDW-UPHRSURJSA-N 1 2 296.334 1.003 20 30 CDEDLO CCN(C(=O)C1(c2ccccc2C#N)CC1)C1C[NH+](C)C1 ZINC001183292996 918424446 /nfs/dbraw/zinc/42/44/46/918424446.db2.gz IOIZOWRZGFIFJF-UHFFFAOYSA-N 1 2 283.375 1.752 20 30 CDEDLO Cc1cc(NC[C@@H](C)NC(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001107653315 918549780 /nfs/dbraw/zinc/54/97/80/918549780.db2.gz YHXOVYBJYJMVOS-ZYHUDNBSSA-N 1 2 289.383 1.985 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2C[C@@H](OC)[C@@H](F)C2)cc1OC ZINC001138343308 936523014 /nfs/dbraw/zinc/52/30/14/936523014.db2.gz JHZJKIIGAVTNFH-XJKSGUPXSA-N 1 2 293.338 1.876 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2C[C@@H](OC)[C@@H](F)C2)cc1OC ZINC001138343308 936523015 /nfs/dbraw/zinc/52/30/15/936523015.db2.gz JHZJKIIGAVTNFH-XJKSGUPXSA-N 1 2 293.338 1.876 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H](C)CNc2cc[nH+]c(C)n2)cn1 ZINC001107858083 918903540 /nfs/dbraw/zinc/90/35/40/918903540.db2.gz GCNPZTIPVADRAE-LLVKDONJSA-N 1 2 295.346 1.392 20 30 CDEDLO Cn1c[nH+]c(CCNC(=O)Nc2ccc(C#N)cc2)c1 ZINC001184761648 919266432 /nfs/dbraw/zinc/26/64/32/919266432.db2.gz CPSSLAZXMYNWHD-UHFFFAOYSA-N 1 2 269.308 1.656 20 30 CDEDLO C=CCCCC[NH+]1CC2(C1)COCC(=O)N2[C@H](C)C(C)=O ZINC001273494666 919351585 /nfs/dbraw/zinc/35/15/85/919351585.db2.gz DCYAHXLMUIYQMA-CYBMUJFWSA-N 1 2 294.395 1.233 20 30 CDEDLO C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)c2nnc[nH]2)CC1 ZINC000997798330 919385470 /nfs/dbraw/zinc/38/54/70/919385470.db2.gz DPRBLDNRASUFEA-JTQLQIEISA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)c2ncn[nH]2)CC1 ZINC000997798330 919385482 /nfs/dbraw/zinc/38/54/82/919385482.db2.gz DPRBLDNRASUFEA-JTQLQIEISA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)c2nc[nH]n2)CC1 ZINC000997798330 919385497 /nfs/dbraw/zinc/38/54/97/919385497.db2.gz DPRBLDNRASUFEA-JTQLQIEISA-N 1 2 297.790 1.388 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(F)c(OC)c(OC)c2)CC1 ZINC001137508158 936614335 /nfs/dbraw/zinc/61/43/35/936614335.db2.gz ICKCNKHHNXEMFI-UHFFFAOYSA-N 1 2 292.354 1.594 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001078255759 920185873 /nfs/dbraw/zinc/18/58/73/920185873.db2.gz JHKHFQARDRIRCO-ZIAGYGMSSA-N 1 2 290.363 1.201 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001078255759 920185880 /nfs/dbraw/zinc/18/58/80/920185880.db2.gz JHKHFQARDRIRCO-ZIAGYGMSSA-N 1 2 290.363 1.201 20 30 CDEDLO C=CCN1CC[NH+](Cc2cnc3cccnc3c2)CC1 ZINC001139740625 936642543 /nfs/dbraw/zinc/64/25/43/936642543.db2.gz DAYCYWCMFFAXPQ-UHFFFAOYSA-N 1 2 268.364 1.933 20 30 CDEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](CC(=O)N(C)C)CCO2 ZINC001203015152 936688325 /nfs/dbraw/zinc/68/83/25/936688325.db2.gz SQIJOKAIYRQJNA-GOEBONIOSA-N 1 2 296.411 1.148 20 30 CDEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](CC(=O)N(C)C)CCO2 ZINC001203015152 936688327 /nfs/dbraw/zinc/68/83/27/936688327.db2.gz SQIJOKAIYRQJNA-GOEBONIOSA-N 1 2 296.411 1.148 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cncn2C)CC[C@@H]1C ZINC001071655504 936688433 /nfs/dbraw/zinc/68/84/33/936688433.db2.gz NEBLHXNARLMBTP-RYUDHWBXSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cncn2C)CC[C@@H]1C ZINC001071655504 936688434 /nfs/dbraw/zinc/68/84/34/936688434.db2.gz NEBLHXNARLMBTP-RYUDHWBXSA-N 1 2 296.802 1.755 20 30 CDEDLO CC(=O)N1CCC[N@H+](Cc2ccc(C#N)nc2)CC1 ZINC001140540775 936722433 /nfs/dbraw/zinc/72/24/33/936722433.db2.gz LUMCBEUWVYTQKY-UHFFFAOYSA-N 1 2 258.325 1.007 20 30 CDEDLO CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)nc2)CC1 ZINC001140540775 936722435 /nfs/dbraw/zinc/72/24/35/936722435.db2.gz LUMCBEUWVYTQKY-UHFFFAOYSA-N 1 2 258.325 1.007 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCC)C[C@@H]21 ZINC001074143797 936733787 /nfs/dbraw/zinc/73/37/87/936733787.db2.gz DYOMJBDKYDBBON-KBPBESRZSA-N 1 2 264.369 1.112 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCC)C[C@@H]21 ZINC001074143797 936733788 /nfs/dbraw/zinc/73/37/88/936733788.db2.gz DYOMJBDKYDBBON-KBPBESRZSA-N 1 2 264.369 1.112 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255705033 936754647 /nfs/dbraw/zinc/75/46/47/936754647.db2.gz IIPKJLULVRTJHX-GMTAPVOTSA-N 1 2 261.291 1.905 20 30 CDEDLO CCCCCCCNC(=O)N1CC[N@H+](C)C[C@@H]1C(=O)OC ZINC001191101699 922388990 /nfs/dbraw/zinc/38/89/90/922388990.db2.gz SCICNZYBZZACFJ-CYBMUJFWSA-N 1 2 299.415 1.455 20 30 CDEDLO CCCCCCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C(=O)OC ZINC001191101699 922389006 /nfs/dbraw/zinc/38/90/06/922389006.db2.gz SCICNZYBZZACFJ-CYBMUJFWSA-N 1 2 299.415 1.455 20 30 CDEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)CC2CCCC2)CC1 ZINC001191561221 922656590 /nfs/dbraw/zinc/65/65/90/922656590.db2.gz XKIPVDSHNSEBED-UHFFFAOYSA-N 1 2 285.413 1.084 20 30 CDEDLO C[NH+]1CC(NC(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC001192105803 922909689 /nfs/dbraw/zinc/90/96/89/922909689.db2.gz YFNSWVAXOLLBJQ-UHFFFAOYSA-N 1 2 283.253 1.621 20 30 CDEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)S(=O)(=O)CC#N ZINC001192966694 923387916 /nfs/dbraw/zinc/38/79/16/923387916.db2.gz SIKOPOAQLATMJC-UHFFFAOYSA-N 1 2 290.348 1.157 20 30 CDEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001193345710 923618192 /nfs/dbraw/zinc/61/81/92/923618192.db2.gz UUULXMDJIUIGSQ-GKKDLHFNSA-N 1 2 286.803 1.503 20 30 CDEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001193345710 923618198 /nfs/dbraw/zinc/61/81/98/923618198.db2.gz UUULXMDJIUIGSQ-GKKDLHFNSA-N 1 2 286.803 1.503 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H]1O ZINC001193400394 923660876 /nfs/dbraw/zinc/66/08/76/923660876.db2.gz NWAUQMWGOUPBPQ-CHWSQXEVSA-N 1 2 293.367 1.001 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H]1O ZINC001193400394 923660884 /nfs/dbraw/zinc/66/08/84/923660884.db2.gz NWAUQMWGOUPBPQ-CHWSQXEVSA-N 1 2 293.367 1.001 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CCC2)C1 ZINC001079340371 924264740 /nfs/dbraw/zinc/26/47/40/924264740.db2.gz DGLQTTBPSKNNRE-BXKDBHETSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CCC2)C1 ZINC001079340371 924264751 /nfs/dbraw/zinc/26/47/51/924264751.db2.gz DGLQTTBPSKNNRE-BXKDBHETSA-N 1 2 256.777 1.976 20 30 CDEDLO C=CCCC(=O)N1CCC[N@@H+](Cc2cnnn2CC)CC1 ZINC001195192298 924490426 /nfs/dbraw/zinc/49/04/26/924490426.db2.gz WLVLHRNTFLAFGF-UHFFFAOYSA-N 1 2 291.399 1.299 20 30 CDEDLO C=CCCC(=O)N1CCC[N@H+](Cc2cnnn2CC)CC1 ZINC001195192298 924490431 /nfs/dbraw/zinc/49/04/31/924490431.db2.gz WLVLHRNTFLAFGF-UHFFFAOYSA-N 1 2 291.399 1.299 20 30 CDEDLO CCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001081241790 924719581 /nfs/dbraw/zinc/71/95/81/924719581.db2.gz KFHNRXWNHBYLKY-HZPDHXFCSA-N 1 2 286.375 1.264 20 30 CDEDLO CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001081241790 924719588 /nfs/dbraw/zinc/71/95/88/924719588.db2.gz KFHNRXWNHBYLKY-HZPDHXFCSA-N 1 2 286.375 1.264 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(CC)s2)[C@H](OC)C1 ZINC001081909805 924819136 /nfs/dbraw/zinc/81/91/36/924819136.db2.gz NWDCDGFEBGKDOI-CHWSQXEVSA-N 1 2 292.404 1.373 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC)s2)[C@H](OC)C1 ZINC001081909805 924819144 /nfs/dbraw/zinc/81/91/44/924819144.db2.gz NWDCDGFEBGKDOI-CHWSQXEVSA-N 1 2 292.404 1.373 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(Cl)c2)[C@H](OC)C1 ZINC001082340174 924903815 /nfs/dbraw/zinc/90/38/15/924903815.db2.gz ZTBLGIPGANNXHR-ZIAGYGMSSA-N 1 2 292.766 1.402 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(Cl)c2)[C@H](OC)C1 ZINC001082340174 924903819 /nfs/dbraw/zinc/90/38/19/924903819.db2.gz ZTBLGIPGANNXHR-ZIAGYGMSSA-N 1 2 292.766 1.402 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(C)CC=C(C)CC2)[C@H](OC)C1 ZINC001082380266 924908877 /nfs/dbraw/zinc/90/88/77/924908877.db2.gz IUQBFEGASQOSAV-INMHGKMJSA-N 1 2 290.407 1.572 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@]2(C)CC=C(C)CC2)[C@H](OC)C1 ZINC001082380266 924908878 /nfs/dbraw/zinc/90/88/78/924908878.db2.gz IUQBFEGASQOSAV-INMHGKMJSA-N 1 2 290.407 1.572 20 30 CDEDLO N#Cc1cccnc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001196553493 924937858 /nfs/dbraw/zinc/93/78/58/924937858.db2.gz PLOYZISRTNYFCR-LBPRGKRZSA-N 1 2 281.319 1.696 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(C)c3)[C@@H]2C1 ZINC001084179265 925171956 /nfs/dbraw/zinc/17/19/56/925171956.db2.gz FSQRPJYAZCEPIM-DGCLKSJQSA-N 1 2 294.786 1.319 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(C)c3)[C@@H]2C1 ZINC001084179265 925171960 /nfs/dbraw/zinc/17/19/60/925171960.db2.gz FSQRPJYAZCEPIM-DGCLKSJQSA-N 1 2 294.786 1.319 20 30 CDEDLO Cn1c[nH+]cc1CNC(=S)Nc1cccc(C#N)c1 ZINC001197671445 925191371 /nfs/dbraw/zinc/19/13/71/925191371.db2.gz WQDVBLVPSIRUPT-UHFFFAOYSA-N 1 2 271.349 1.778 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@H](C)COC)CC1 ZINC001197639941 925195509 /nfs/dbraw/zinc/19/55/09/925195509.db2.gz GJRBNFIIYZDMRC-LBPRGKRZSA-N 1 2 288.819 1.946 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@H](C)COC)CC1 ZINC001197639941 925195514 /nfs/dbraw/zinc/19/55/14/925195514.db2.gz GJRBNFIIYZDMRC-LBPRGKRZSA-N 1 2 288.819 1.946 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@@H]3C)[C@@H]2C1 ZINC001084584697 925296891 /nfs/dbraw/zinc/29/68/91/925296891.db2.gz ATDAHLPSAYCQJZ-ZBAXXZLZSA-N 1 2 268.788 1.928 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@@H]3C)[C@@H]2C1 ZINC001084584697 925296900 /nfs/dbraw/zinc/29/69/00/925296900.db2.gz ATDAHLPSAYCQJZ-ZBAXXZLZSA-N 1 2 268.788 1.928 20 30 CDEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[N@@H+](CCF)C[C@H]32)c1 ZINC001084647701 925323033 /nfs/dbraw/zinc/32/30/33/925323033.db2.gz BYHWYPRNGKMXFL-UKRRQHHQSA-N 1 2 287.338 1.179 20 30 CDEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[N@H+](CCF)C[C@H]32)c1 ZINC001084647701 925323041 /nfs/dbraw/zinc/32/30/41/925323041.db2.gz BYHWYPRNGKMXFL-UKRRQHHQSA-N 1 2 287.338 1.179 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCC2(OC)CCC2)cc1 ZINC000842020528 937028125 /nfs/dbraw/zinc/02/81/25/937028125.db2.gz BSTCTDFUCUREQV-UHFFFAOYSA-N 1 2 264.325 1.901 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(C)[nH]1 ZINC001085516596 926103424 /nfs/dbraw/zinc/10/34/24/926103424.db2.gz YRHFHWUZLIPLNR-GFCCVEGCSA-N 1 2 262.357 1.441 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(C)[nH]1 ZINC001085516596 926103431 /nfs/dbraw/zinc/10/34/31/926103431.db2.gz YRHFHWUZLIPLNR-GFCCVEGCSA-N 1 2 262.357 1.441 20 30 CDEDLO N#Cc1cnc2ccnn2c1Nc1ccc(N)[nH+]c1 ZINC001201276303 926251755 /nfs/dbraw/zinc/25/17/55/926251755.db2.gz SPOXMDHNSXOMEU-UHFFFAOYSA-N 1 2 251.253 1.322 20 30 CDEDLO N#Cc1cnn(-c2ccccn2)c1Nc1ccc(N)[nH+]c1 ZINC001201275621 926252888 /nfs/dbraw/zinc/25/28/88/926252888.db2.gz HFHXMWGJPYAJAA-UHFFFAOYSA-N 1 2 277.291 1.860 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2ccc(C)cn21 ZINC001085718382 926322439 /nfs/dbraw/zinc/32/24/39/926322439.db2.gz PZAKIBSPJVQEKR-CQSZACIVSA-N 1 2 296.374 1.422 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2ccc(C)cn21 ZINC001085718382 926322447 /nfs/dbraw/zinc/32/24/47/926322447.db2.gz PZAKIBSPJVQEKR-CQSZACIVSA-N 1 2 296.374 1.422 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(F)c(F)c1F ZINC001085792248 926397300 /nfs/dbraw/zinc/39/73/00/926397300.db2.gz FCJKERSOJYWVGU-JTQLQIEISA-N 1 2 296.292 1.883 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(F)c(F)c1F ZINC001085792248 926397307 /nfs/dbraw/zinc/39/73/07/926397307.db2.gz FCJKERSOJYWVGU-JTQLQIEISA-N 1 2 296.292 1.883 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn(C(C)C)c1 ZINC001085921095 926507463 /nfs/dbraw/zinc/50/74/63/926507463.db2.gz UJVHNOMEPILLIT-AWEZNQCLSA-N 1 2 274.368 1.244 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(C(C)C)c1 ZINC001085921095 926507473 /nfs/dbraw/zinc/50/74/73/926507473.db2.gz UJVHNOMEPILLIT-AWEZNQCLSA-N 1 2 274.368 1.244 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(CF)CCC2)C1 ZINC001108225645 926531186 /nfs/dbraw/zinc/53/11/86/926531186.db2.gz XKKPRBUWMBLSTJ-OAHLLOKOSA-N 1 2 296.386 1.357 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2(CF)CCC2)C1 ZINC001108225645 926531194 /nfs/dbraw/zinc/53/11/94/926531194.db2.gz XKKPRBUWMBLSTJ-OAHLLOKOSA-N 1 2 296.386 1.357 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+](Cc2c[nH]c3cc(C#N)ccc23)CCO1 ZINC001142912125 937092416 /nfs/dbraw/zinc/09/24/16/937092416.db2.gz VOMWBVBRXCFFAN-HNNXBMFYSA-N 1 2 299.330 1.413 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)CCO1 ZINC001142912125 937092418 /nfs/dbraw/zinc/09/24/18/937092418.db2.gz VOMWBVBRXCFFAN-HNNXBMFYSA-N 1 2 299.330 1.413 20 30 CDEDLO CC(=O)NC1C[NH+](Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142921412 937093869 /nfs/dbraw/zinc/09/38/69/937093869.db2.gz LSNKLDBJEMZMGS-UHFFFAOYSA-N 1 2 268.320 1.360 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cccnc2F)C1=O ZINC001273399146 926722419 /nfs/dbraw/zinc/72/24/19/926722419.db2.gz DDUXALPRTWVCFZ-INIZCTEOSA-N 1 2 289.354 1.974 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cccnc2F)C1=O ZINC001273399146 926722423 /nfs/dbraw/zinc/72/24/23/926722423.db2.gz DDUXALPRTWVCFZ-INIZCTEOSA-N 1 2 289.354 1.974 20 30 CDEDLO CC(=O)NC1CC[NH+](Cc2c(F)ccc(C#N)c2F)CC1 ZINC001143164405 937127259 /nfs/dbraw/zinc/12/72/59/937127259.db2.gz GKMZETGOXWPWOO-UHFFFAOYSA-N 1 2 293.317 1.937 20 30 CDEDLO C#CCOCCC(=O)NC[C@@H](CC)Nc1cc[nH+]c(C)n1 ZINC001103192757 937127543 /nfs/dbraw/zinc/12/75/43/937127543.db2.gz FECDDWSXGIYPBC-CYBMUJFWSA-N 1 2 290.367 1.132 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc3cccnc3[nH]2)CC1 ZINC001143226338 937140198 /nfs/dbraw/zinc/14/01/98/937140198.db2.gz BQFRXNPNNSICNE-UHFFFAOYSA-N 1 2 298.346 1.842 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@]2(C)CCCOC2)C1 ZINC001108310768 927381855 /nfs/dbraw/zinc/38/18/55/927381855.db2.gz RTNUWVQEXRBJQM-HZPDHXFCSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@]2(C)CCCOC2)C1 ZINC001108310768 927381870 /nfs/dbraw/zinc/38/18/70/927381870.db2.gz RTNUWVQEXRBJQM-HZPDHXFCSA-N 1 2 296.411 1.196 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc(OC)cc2CC#N)C[NH2+]1 ZINC001169132559 927747181 /nfs/dbraw/zinc/74/71/81/927747181.db2.gz QMVXOSGPPONMIV-RISCZKNCSA-N 1 2 289.335 1.077 20 30 CDEDLO C=CC[C@H]1CCCN(C(=O)NCc2c[nH+]cn2C)C1 ZINC000852342169 927772654 /nfs/dbraw/zinc/77/26/54/927772654.db2.gz IFVHVQBYWOIXKX-LBPRGKRZSA-N 1 2 262.357 1.918 20 30 CDEDLO Cc1nc(NCCCN(C)C(=O)CSCC#N)cc[nH+]1 ZINC001109364786 928895009 /nfs/dbraw/zinc/89/50/09/928895009.db2.gz AIINNBPNHOFESB-UHFFFAOYSA-N 1 2 293.396 1.302 20 30 CDEDLO C[C@H](C[C@H](C)NCC#N)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134731939 929883629 /nfs/dbraw/zinc/88/36/29/929883629.db2.gz ADGHCLPNGDGEOA-WDEREUQCSA-N 1 2 285.351 1.573 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882871234 930089658 /nfs/dbraw/zinc/08/96/58/930089658.db2.gz BSFUVTGJVMUEAS-HOCLYGCPSA-N 1 2 297.358 1.779 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1c(C)cccc1C ZINC000884133082 930453170 /nfs/dbraw/zinc/45/31/70/930453170.db2.gz LELHGNGHWHVPCA-AWEZNQCLSA-N 1 2 290.363 1.366 20 30 CDEDLO Cn1c[nH+]cc1CS(=O)(=O)CCCC(C)(C)C#N ZINC001116261027 937439650 /nfs/dbraw/zinc/43/96/50/937439650.db2.gz PMUASRWHKNMPFC-UHFFFAOYSA-N 1 2 269.370 1.665 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)CC#Cc1ccccc1 ZINC001116696165 937467063 /nfs/dbraw/zinc/46/70/63/937467063.db2.gz VCHJJILBIMHZCR-OAHLLOKOSA-N 1 2 287.359 1.692 20 30 CDEDLO CNC(=O)CC[N@H+](C)Cc1c(Cl)cccc1C#N ZINC001143726503 931529276 /nfs/dbraw/zinc/52/92/76/931529276.db2.gz SDZVOFYFZKEBRT-UHFFFAOYSA-N 1 2 265.744 1.780 20 30 CDEDLO CNC(=O)CC[N@@H+](C)Cc1c(Cl)cccc1C#N ZINC001143726503 931529281 /nfs/dbraw/zinc/52/92/81/931529281.db2.gz SDZVOFYFZKEBRT-UHFFFAOYSA-N 1 2 265.744 1.780 20 30 CDEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(O)cn3)CC2)c1 ZINC001144262596 931722036 /nfs/dbraw/zinc/72/20/36/931722036.db2.gz CMEZYSFTCULRJZ-UHFFFAOYSA-N 1 2 294.358 1.981 20 30 CDEDLO C=CCCC(=O)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845280732 931793823 /nfs/dbraw/zinc/79/38/23/931793823.db2.gz DGMFFWOGZROPCG-LLVKDONJSA-N 1 2 250.298 1.913 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3=O)cc1 ZINC001144581419 931902209 /nfs/dbraw/zinc/90/22/09/931902209.db2.gz REHBJAVMNIYDHA-GASCZTMLSA-N 1 2 255.317 1.315 20 30 CDEDLO C#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)C3=O)cc1 ZINC001144581419 931902213 /nfs/dbraw/zinc/90/22/13/931902213.db2.gz REHBJAVMNIYDHA-GASCZTMLSA-N 1 2 255.317 1.315 20 30 CDEDLO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCN(C#N)CC1 ZINC001171234053 932073410 /nfs/dbraw/zinc/07/34/10/932073410.db2.gz JFPDZIPYAHNDKO-CYBMUJFWSA-N 1 2 254.337 1.588 20 30 CDEDLO C=CCCC(=O)N1CC2(C1)CC[N@@H+](Cc1cc(C)on1)C2 ZINC001147158471 932429685 /nfs/dbraw/zinc/42/96/85/932429685.db2.gz CHRHFTJLVGWRBP-UHFFFAOYSA-N 1 2 289.379 1.984 20 30 CDEDLO C=CCCC(=O)N1CC2(C1)CC[N@H+](Cc1cc(C)on1)C2 ZINC001147158471 932429688 /nfs/dbraw/zinc/42/96/88/932429688.db2.gz CHRHFTJLVGWRBP-UHFFFAOYSA-N 1 2 289.379 1.984 20 30 CDEDLO CCCCc1nc(N[C@@H]2C(=O)N(O)C[C@@H]2C)cc(C)[nH+]1 ZINC001171363073 932864562 /nfs/dbraw/zinc/86/45/62/932864562.db2.gz QEZJAFYHBRUUSM-ZANVPECISA-N 1 2 278.356 1.776 20 30 CDEDLO COC[C@H](C)NN=C1CC[N@H+](Cc2ccccc2)C1 ZINC000777894241 933366572 /nfs/dbraw/zinc/36/65/72/933366572.db2.gz HPNKJUUTQVTCEA-ZDUSSCGKSA-N 1 2 261.369 1.873 20 30 CDEDLO COC[C@H](C)NN=C1CC[N@@H+](Cc2ccccc2)C1 ZINC000777894241 933366579 /nfs/dbraw/zinc/36/65/79/933366579.db2.gz HPNKJUUTQVTCEA-ZDUSSCGKSA-N 1 2 261.369 1.873 20 30 CDEDLO Cc1cc(NC(=O)CC[N@@H+]2CCC[C@@H](C#N)C2)no1 ZINC000932159470 933675376 /nfs/dbraw/zinc/67/53/76/933675376.db2.gz KLKJRTVKRODBAS-NSHDSACASA-N 1 2 262.313 1.547 20 30 CDEDLO Cc1cc(NC(=O)CC[N@H+]2CCC[C@@H](C#N)C2)no1 ZINC000932159470 933675379 /nfs/dbraw/zinc/67/53/79/933675379.db2.gz KLKJRTVKRODBAS-NSHDSACASA-N 1 2 262.313 1.547 20 30 CDEDLO C=CCOCC(=O)N[C@H]1C[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001114742698 934948411 /nfs/dbraw/zinc/94/84/11/934948411.db2.gz KEYFVDQWLASBMH-JOCQHMNTSA-N 1 2 290.367 1.294 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(C)on3)C[C@H]21 ZINC001114753026 934954568 /nfs/dbraw/zinc/95/45/68/934954568.db2.gz OXXSSJGIWDGACM-FOLVSLTJSA-N 1 2 289.379 1.886 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C)on3)C[C@H]21 ZINC001114753026 934954572 /nfs/dbraw/zinc/95/45/72/934954572.db2.gz OXXSSJGIWDGACM-FOLVSLTJSA-N 1 2 289.379 1.886 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cscc1Cl ZINC001038380449 935742555 /nfs/dbraw/zinc/74/25/55/935742555.db2.gz NWEOJAZMTYTVPB-SECBINFHSA-N 1 2 268.769 1.839 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cscc1Cl ZINC001038380449 935742558 /nfs/dbraw/zinc/74/25/58/935742558.db2.gz NWEOJAZMTYTVPB-SECBINFHSA-N 1 2 268.769 1.839 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ncoc1[C@@H]1CCCO1 ZINC001038598320 935750543 /nfs/dbraw/zinc/75/05/43/935750543.db2.gz UNRZPDHQFRAULJ-RYUDHWBXSA-N 1 2 291.351 1.516 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ncoc1[C@@H]1CCCO1 ZINC001038598320 935750544 /nfs/dbraw/zinc/75/05/44/935750544.db2.gz UNRZPDHQFRAULJ-RYUDHWBXSA-N 1 2 291.351 1.516 20 30 CDEDLO C=C(C)CC[NH+]1CC(N(C)C(=O)c2cnns2)C1 ZINC001042513652 935823255 /nfs/dbraw/zinc/82/32/55/935823255.db2.gz WHIONGGRSUTDIL-UHFFFAOYSA-N 1 2 266.370 1.261 20 30 CDEDLO C=CCOCC(=O)N[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001096156598 935989650 /nfs/dbraw/zinc/98/96/50/935989650.db2.gz VNORFBHYDIMHHN-ZDUSSCGKSA-N 1 2 290.367 1.073 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(F)s1)C2 ZINC001096647253 936201148 /nfs/dbraw/zinc/20/11/48/936201148.db2.gz GYHLVSCDUBKCSK-VWYCJHECSA-N 1 2 278.352 1.856 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(F)s1)C2 ZINC001096647253 936201149 /nfs/dbraw/zinc/20/11/49/936201149.db2.gz GYHLVSCDUBKCSK-VWYCJHECSA-N 1 2 278.352 1.856 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CC=CCC3)n2CC)CC1 ZINC001121703993 937880757 /nfs/dbraw/zinc/88/07/57/937880757.db2.gz JNAAJUWVEYWUCT-OAHLLOKOSA-N 1 2 299.422 1.877 20 30 CDEDLO C=C[C@H](CC)CC(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122378048 937927056 /nfs/dbraw/zinc/92/70/56/937927056.db2.gz FXTJHJKUWVLIMC-OLZOCXBDSA-N 1 2 292.383 1.276 20 30 CDEDLO C[C@@H]1CCCN(c2cc(N3CC[NH2+]C[C@@H]3C#N)ncn2)C1 ZINC001156333292 938353442 /nfs/dbraw/zinc/35/34/42/938353442.db2.gz ZVGWPUTYFGRMBL-OLZOCXBDSA-N 1 2 286.383 1.015 20 30 CDEDLO C#CCCCCC(=O)NCCC[NH2+][C@@H](C)c1noc(C)n1 ZINC001156815754 938420624 /nfs/dbraw/zinc/42/06/24/938420624.db2.gz DQXJJBFHOSINQR-LBPRGKRZSA-N 1 2 292.383 1.729 20 30 CDEDLO CCc1cc(C[N@@H+]2CCCNC(=O)C2)ccc1C#N ZINC001238767416 945244679 /nfs/dbraw/zinc/24/46/79/945244679.db2.gz UWUVPUSOEQHBJI-UHFFFAOYSA-N 1 2 257.337 1.443 20 30 CDEDLO CCc1cc(C[N@H+]2CCCNC(=O)C2)ccc1C#N ZINC001238767416 945244688 /nfs/dbraw/zinc/24/46/88/945244688.db2.gz UWUVPUSOEQHBJI-UHFFFAOYSA-N 1 2 257.337 1.443 20 30 CDEDLO C=CCc1c(Cl)ncnc1N[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001164302165 939449322 /nfs/dbraw/zinc/44/93/22/939449322.db2.gz NWSTZEGRDADYIJ-WPRPVWTQSA-N 1 2 296.758 1.174 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@@H](F)Oc1ccc(Cl)nc1 ZINC001164652852 939502293 /nfs/dbraw/zinc/50/22/93/939502293.db2.gz UENLNRPXTYOSDW-LDYMZIIASA-N 1 2 270.695 1.164 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1nc(C2CCC2)nc2[nH]ccc21 ZINC001164675409 939503477 /nfs/dbraw/zinc/50/34/77/939503477.db2.gz IXLDCBKMJBWBBH-NSHDSACASA-N 1 2 282.351 1.527 20 30 CDEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCC[C@H](n4cncn4)C3)c12 ZINC001166914648 939648945 /nfs/dbraw/zinc/64/89/45/939648945.db2.gz AQGATYPNBYLFSJ-LBPRGKRZSA-N 1 2 293.334 1.868 20 30 CDEDLO Cn1ncc2c1C[N@H+](Cc1ccc(C#N)cc1)CC2 ZINC001203904954 939712970 /nfs/dbraw/zinc/71/29/70/939712970.db2.gz LLDXVWDHHPOKHU-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO Cn1ncc2c1C[N@@H+](Cc1ccc(C#N)cc1)CC2 ZINC001203904954 939712972 /nfs/dbraw/zinc/71/29/72/939712972.db2.gz LLDXVWDHHPOKHU-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1nccn1C)C2 ZINC001205132834 939826221 /nfs/dbraw/zinc/82/62/21/939826221.db2.gz MLLPOFFGAACWEP-ZBFHGGJFSA-N 1 2 291.395 1.746 20 30 CDEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1nccn1C)C2 ZINC001205132834 939826222 /nfs/dbraw/zinc/82/62/22/939826222.db2.gz MLLPOFFGAACWEP-ZBFHGGJFSA-N 1 2 291.395 1.746 20 30 CDEDLO Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)no1 ZINC001206938386 940114562 /nfs/dbraw/zinc/11/45/62/940114562.db2.gz VDRRHJQIMVVOOS-IUODEOHRSA-N 1 2 289.379 1.579 20 30 CDEDLO Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)no1 ZINC001206938386 940114565 /nfs/dbraw/zinc/11/45/65/940114565.db2.gz VDRRHJQIMVVOOS-IUODEOHRSA-N 1 2 289.379 1.579 20 30 CDEDLO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1cc(C#N)n(C)c1 ZINC001207106815 940151004 /nfs/dbraw/zinc/15/10/04/940151004.db2.gz WKUKRJNCIOCPJS-YIONKMFJSA-N 1 2 275.352 1.275 20 30 CDEDLO COC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1cc(C#N)n(C)c1 ZINC001207106815 940151005 /nfs/dbraw/zinc/15/10/05/940151005.db2.gz WKUKRJNCIOCPJS-YIONKMFJSA-N 1 2 275.352 1.275 20 30 CDEDLO CC(=O)OC1C[NH+](CCCc2ccc(C#N)cc2)C1 ZINC001208859096 940397807 /nfs/dbraw/zinc/39/78/07/940397807.db2.gz REVKOMUSGSVRMK-UHFFFAOYSA-N 1 2 258.321 1.738 20 30 CDEDLO C#Cc1cc(Nc2cccc(CC(=O)OC)c2)cc[nH+]1 ZINC001213705178 940783478 /nfs/dbraw/zinc/78/34/78/940783478.db2.gz CGEJTMIFPFWLMD-UHFFFAOYSA-N 1 2 266.300 1.944 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(F)cc3c2OCOC3)CC1 ZINC000179273011 940823953 /nfs/dbraw/zinc/82/39/53/940823953.db2.gz JBSAJWDOOWHFCY-UHFFFAOYSA-N 1 2 290.338 1.443 20 30 CDEDLO CC[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1noc(C)n1 ZINC001473368668 970785421 /nfs/dbraw/zinc/78/54/21/970785421.db2.gz UBEDIWDISVXICB-NSHDSACASA-N 1 2 279.344 1.181 20 30 CDEDLO CCc1ncccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001225458566 941862538 /nfs/dbraw/zinc/86/25/38/941862538.db2.gz YXVRDXMQGPMCCM-HJTUNCCVSA-N 1 2 260.337 1.635 20 30 CDEDLO CCc1ncccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001225458566 941862540 /nfs/dbraw/zinc/86/25/40/941862540.db2.gz YXVRDXMQGPMCCM-HJTUNCCVSA-N 1 2 260.337 1.635 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Oc1cccc(/C=N/O)c1 ZINC001226115250 941953447 /nfs/dbraw/zinc/95/34/47/941953447.db2.gz ZQTGDELWHSPELD-XBUHWIKASA-N 1 2 264.325 1.594 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3c(O)cccc3C#N)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226520004 942019603 /nfs/dbraw/zinc/01/96/03/942019603.db2.gz HQUKEDNQEVVQJG-RBRDRRMGSA-N 1 2 272.304 1.255 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3c(O)cccc3C#N)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226520004 942019607 /nfs/dbraw/zinc/01/96/07/942019607.db2.gz HQUKEDNQEVVQJG-RBRDRRMGSA-N 1 2 272.304 1.255 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc(C#N)c(C)c2)C[N@@H+]1C ZINC001229213213 942432916 /nfs/dbraw/zinc/43/29/16/942432916.db2.gz NPIGOFBRUWBKHC-KGLIPLIRSA-N 1 2 274.320 1.491 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc(C#N)c(C)c2)C[N@H+]1C ZINC001229213213 942432921 /nfs/dbraw/zinc/43/29/21/942432921.db2.gz NPIGOFBRUWBKHC-KGLIPLIRSA-N 1 2 274.320 1.491 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCCC(C)=O ZINC001230759858 942691467 /nfs/dbraw/zinc/69/14/67/942691467.db2.gz XMLQQZFLJJTROD-CYBMUJFWSA-N 1 2 252.358 1.464 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC(C)=O ZINC001230759858 942691473 /nfs/dbraw/zinc/69/14/73/942691473.db2.gz XMLQQZFLJJTROD-CYBMUJFWSA-N 1 2 252.358 1.464 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)CSC ZINC001231234547 942827038 /nfs/dbraw/zinc/82/70/38/942827038.db2.gz UJNVCMWBHJWHFH-ZIAGYGMSSA-N 1 2 298.452 1.168 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)CSC ZINC001231234547 942827049 /nfs/dbraw/zinc/82/70/49/942827049.db2.gz UJNVCMWBHJWHFH-ZIAGYGMSSA-N 1 2 298.452 1.168 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cnc(C)o1 ZINC001231239879 942828399 /nfs/dbraw/zinc/82/83/99/942828399.db2.gz FZNPGJVWBBRVKE-ZDUSSCGKSA-N 1 2 293.367 1.218 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cnc(C)o1 ZINC001231239879 942828401 /nfs/dbraw/zinc/82/84/01/942828401.db2.gz FZNPGJVWBBRVKE-ZDUSSCGKSA-N 1 2 293.367 1.218 20 30 CDEDLO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccn2)C1 ZINC001232481241 943294778 /nfs/dbraw/zinc/29/47/78/943294778.db2.gz XVMBFUPFADRWBC-CYBMUJFWSA-N 1 2 258.325 1.054 20 30 CDEDLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001232481241 943294784 /nfs/dbraw/zinc/29/47/84/943294784.db2.gz XVMBFUPFADRWBC-CYBMUJFWSA-N 1 2 258.325 1.054 20 30 CDEDLO COC[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OC ZINC001474450695 970984847 /nfs/dbraw/zinc/98/48/47/970984847.db2.gz VFVYLZXTVPRIFQ-AKJDGMEZSA-N 1 2 254.330 1.236 20 30 CDEDLO C[N@H+](C1CN(Cc2cc(C#N)ccc2O)C1)[C@H]1CCOC1 ZINC001232678595 943360446 /nfs/dbraw/zinc/36/04/46/943360446.db2.gz JGAXAMCDMGJPLY-AWEZNQCLSA-N 1 2 287.363 1.169 20 30 CDEDLO C[N@@H+](C1CN(Cc2cc(C#N)ccc2O)C1)[C@H]1CCOC1 ZINC001232678595 943360453 /nfs/dbraw/zinc/36/04/53/943360453.db2.gz JGAXAMCDMGJPLY-AWEZNQCLSA-N 1 2 287.363 1.169 20 30 CDEDLO CCOC(=O)CC[N@H+](C)Cc1cc(C#N)ccc1O ZINC001232680239 943361828 /nfs/dbraw/zinc/36/18/28/943361828.db2.gz ZWHUPIGZPRIPDC-UHFFFAOYSA-N 1 2 262.309 1.649 20 30 CDEDLO CCOC(=O)CC[N@@H+](C)Cc1cc(C#N)ccc1O ZINC001232680239 943361832 /nfs/dbraw/zinc/36/18/32/943361832.db2.gz ZWHUPIGZPRIPDC-UHFFFAOYSA-N 1 2 262.309 1.649 20 30 CDEDLO C[C@@]1(CO)CC[N@H+](Cc2cc(F)ccc2C#N)C[C@@H]1O ZINC001232888407 943426791 /nfs/dbraw/zinc/42/67/91/943426791.db2.gz BNQDPRPOZQCHRX-GJZGRUSLSA-N 1 2 278.327 1.263 20 30 CDEDLO C[C@@]1(CO)CC[N@@H+](Cc2cc(F)ccc2C#N)C[C@@H]1O ZINC001232888407 943426792 /nfs/dbraw/zinc/42/67/92/943426792.db2.gz BNQDPRPOZQCHRX-GJZGRUSLSA-N 1 2 278.327 1.263 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cnc(C)o2)C1 ZINC001233369038 943559622 /nfs/dbraw/zinc/55/96/22/943559622.db2.gz VYRNNOLFNLVCGR-GFCCVEGCSA-N 1 2 279.340 1.860 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cnc(C)o2)C1 ZINC001233369038 943559625 /nfs/dbraw/zinc/55/96/25/943559625.db2.gz VYRNNOLFNLVCGR-GFCCVEGCSA-N 1 2 279.340 1.860 20 30 CDEDLO CCCC[C@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001234051114 943728074 /nfs/dbraw/zinc/72/80/74/943728074.db2.gz SNBPGDCUVXBSGO-JKSUJKDBSA-N 1 2 294.439 1.995 20 30 CDEDLO CCCC[C@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001234051114 943728077 /nfs/dbraw/zinc/72/80/77/943728077.db2.gz SNBPGDCUVXBSGO-JKSUJKDBSA-N 1 2 294.439 1.995 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Oc1cc(O)cc(C#N)c1 ZINC001234141851 943754525 /nfs/dbraw/zinc/75/45/25/943754525.db2.gz QVDMZSIZZGYHIG-LLVKDONJSA-N 1 2 262.309 1.363 20 30 CDEDLO Cc1oncc1C[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234179077 943767193 /nfs/dbraw/zinc/76/71/93/943767193.db2.gz RYVGGLNKRCIGHT-OAHLLOKOSA-N 1 2 287.363 1.429 20 30 CDEDLO Cc1oncc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234179077 943767200 /nfs/dbraw/zinc/76/72/00/943767200.db2.gz RYVGGLNKRCIGHT-OAHLLOKOSA-N 1 2 287.363 1.429 20 30 CDEDLO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001234510263 943871736 /nfs/dbraw/zinc/87/17/36/943871736.db2.gz WFXYADPHHJKYMN-JSGCOSHPSA-N 1 2 293.411 1.161 20 30 CDEDLO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001234510263 943871746 /nfs/dbraw/zinc/87/17/46/943871746.db2.gz WFXYADPHHJKYMN-JSGCOSHPSA-N 1 2 293.411 1.161 20 30 CDEDLO CC[NH+]1CC(Oc2[nH]c(=O)nc3cccc(C#N)c32)C1 ZINC001234511611 943873977 /nfs/dbraw/zinc/87/39/77/943873977.db2.gz SBEWQVZIPJPVSG-UHFFFAOYSA-N 1 2 270.292 1.290 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NC(C)C ZINC001234604405 943911533 /nfs/dbraw/zinc/91/15/33/943911533.db2.gz PMLDRAAYJWNRGB-AWEZNQCLSA-N 1 2 295.427 1.400 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NC(C)C ZINC001234604405 943911537 /nfs/dbraw/zinc/91/15/37/943911537.db2.gz PMLDRAAYJWNRGB-AWEZNQCLSA-N 1 2 295.427 1.400 20 30 CDEDLO C[C@@]1(CO)CC[N@H+](Cc2c(F)cc(C#N)cc2F)C[C@@H]1O ZINC001235650249 944232258 /nfs/dbraw/zinc/23/22/58/944232258.db2.gz DHCZYTZGWMZRHN-GJZGRUSLSA-N 1 2 296.317 1.402 20 30 CDEDLO C[C@@]1(CO)CC[N@@H+](Cc2c(F)cc(C#N)cc2F)C[C@@H]1O ZINC001235650249 944232262 /nfs/dbraw/zinc/23/22/62/944232262.db2.gz DHCZYTZGWMZRHN-GJZGRUSLSA-N 1 2 296.317 1.402 20 30 CDEDLO COC(=O)[C@@H]1CC[N@H+](Cc2c(F)cc(C#N)cc2F)C1 ZINC001235652468 944233180 /nfs/dbraw/zinc/23/31/80/944233180.db2.gz XIVCCSLIZQREGW-SNVBAGLBSA-N 1 2 280.274 1.831 20 30 CDEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2c(F)cc(C#N)cc2F)C1 ZINC001235652468 944233188 /nfs/dbraw/zinc/23/31/88/944233188.db2.gz XIVCCSLIZQREGW-SNVBAGLBSA-N 1 2 280.274 1.831 20 30 CDEDLO CC1(C)C[N@@H+](C2CN(Cc3ccnc(C#N)c3)C2)CCO1 ZINC001237465429 944798890 /nfs/dbraw/zinc/79/88/90/944798890.db2.gz HFCKGESPUYJRIN-UHFFFAOYSA-N 1 2 286.379 1.248 20 30 CDEDLO CC1(C)C[N@H+](C2CN(Cc3ccnc(C#N)c3)C2)CCO1 ZINC001237465429 944798898 /nfs/dbraw/zinc/79/88/98/944798898.db2.gz HFCKGESPUYJRIN-UHFFFAOYSA-N 1 2 286.379 1.248 20 30 CDEDLO Cn1cc(C[N@@H+]2CCO[C@@H](CO)C2)c2cc(C#N)ccc21 ZINC001237467351 944799197 /nfs/dbraw/zinc/79/91/97/944799197.db2.gz UJYIDZMIYSFNPM-CQSZACIVSA-N 1 2 285.347 1.243 20 30 CDEDLO Cn1cc(C[N@H+]2CCO[C@@H](CO)C2)c2cc(C#N)ccc21 ZINC001237467351 944799204 /nfs/dbraw/zinc/79/92/04/944799204.db2.gz UJYIDZMIYSFNPM-CQSZACIVSA-N 1 2 285.347 1.243 20 30 CDEDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237524533 944825039 /nfs/dbraw/zinc/82/50/39/944825039.db2.gz JTRVNEAXOIPLRJ-SECBINFHSA-N 1 2 280.274 1.831 20 30 CDEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237524533 944825043 /nfs/dbraw/zinc/82/50/43/944825043.db2.gz JTRVNEAXOIPLRJ-SECBINFHSA-N 1 2 280.274 1.831 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC001362335514 971166694 /nfs/dbraw/zinc/16/66/94/971166694.db2.gz OSJKETBUMCKPNL-HNNXBMFYSA-N 1 2 272.352 1.553 20 30 CDEDLO C=CCS(=O)(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC001259924480 945709558 /nfs/dbraw/zinc/70/95/58/945709558.db2.gz VUEZIBDCEFGHFP-UHFFFAOYSA-N 1 2 282.365 1.441 20 30 CDEDLO CC(C)(CC#N)CNC(=O)NCc1ccc[nH+]c1N ZINC001478793262 971244917 /nfs/dbraw/zinc/24/49/17/971244917.db2.gz JGNGWIASXMNMBN-UHFFFAOYSA-N 1 2 261.329 1.403 20 30 CDEDLO C[C@H]1CC(=O)C=C(c2nccnc2N2CC[NH+](C)CC2)C1 ZINC001242736593 946862465 /nfs/dbraw/zinc/86/24/65/946862465.db2.gz DBQDEVRZPPLKRZ-GFCCVEGCSA-N 1 2 286.379 1.611 20 30 CDEDLO C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC001254338201 947377933 /nfs/dbraw/zinc/37/79/33/947377933.db2.gz XDXQIIVUJJXZHE-GOEBONIOSA-N 1 2 289.400 1.796 20 30 CDEDLO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC001254338201 947377941 /nfs/dbraw/zinc/37/79/41/947377941.db2.gz XDXQIIVUJJXZHE-GOEBONIOSA-N 1 2 289.400 1.796 20 30 CDEDLO CCCCCCCC[C@H](O)CN1CC[NH2+]C[C@@H]1C#N ZINC001246035319 947911847 /nfs/dbraw/zinc/91/18/47/947911847.db2.gz OZYHUZULNYZWQY-GJZGRUSLSA-N 1 2 267.417 1.895 20 30 CDEDLO C=CC[C@H]1NC(=O)N([C@H]2CCN(c3cccc[nH+]3)C2)C1=O ZINC001255839842 948112080 /nfs/dbraw/zinc/11/20/80/948112080.db2.gz PDKCDDSCMGSIQU-NWDGAFQWSA-N 1 2 286.335 1.157 20 30 CDEDLO COc1cccc(C[C@H](C)N2CC[NH2+]C[C@H]2C#N)c1 ZINC001256159892 948220117 /nfs/dbraw/zinc/22/01/17/948220117.db2.gz KMHRHLCCFXMRID-GXTWGEPZSA-N 1 2 259.353 1.424 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC001257073656 948519196 /nfs/dbraw/zinc/51/91/96/948519196.db2.gz RAYGOJLMIVLVRV-QXEWZRGKSA-N 1 2 261.387 1.394 20 30 CDEDLO CCc1cc(C#N)ccc1C[NH+]1CCN(C(C)=O)CC1 ZINC001248749886 949120048 /nfs/dbraw/zinc/12/00/48/949120048.db2.gz PDCYXUBMHNHZSQ-UHFFFAOYSA-N 1 2 271.364 1.785 20 30 CDEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1nonc1C)C2 ZINC001248858403 949226136 /nfs/dbraw/zinc/22/61/36/949226136.db2.gz NKBZHIGGMVGNPM-UKRRQHHQSA-N 1 2 293.367 1.704 20 30 CDEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1nonc1C)C2 ZINC001248858403 949226153 /nfs/dbraw/zinc/22/61/53/949226153.db2.gz NKBZHIGGMVGNPM-UKRRQHHQSA-N 1 2 293.367 1.704 20 30 CDEDLO C#Cc1cc(Nc2ccc(C(=O)OC)c(N)c2)cc[nH+]1 ZINC001250334929 950118941 /nfs/dbraw/zinc/11/89/41/950118941.db2.gz PTBJGDQLQHPXAL-UHFFFAOYSA-N 1 2 267.288 1.597 20 30 CDEDLO N#Cc1ccc2c(c1)CC[N@@H+](C[C@@H](O)C(F)(F)F)C2 ZINC001250964696 950494817 /nfs/dbraw/zinc/49/48/17/950494817.db2.gz MTZQVAZVJLVUIR-GFCCVEGCSA-N 1 2 270.254 1.840 20 30 CDEDLO N#Cc1ccc2c(c1)CC[N@H+](C[C@@H](O)C(F)(F)F)C2 ZINC001250964696 950494824 /nfs/dbraw/zinc/49/48/24/950494824.db2.gz MTZQVAZVJLVUIR-GFCCVEGCSA-N 1 2 270.254 1.840 20 30 CDEDLO C#CCOC[C@@H](O)C[NH2+]C1(c2ccccc2Cl)COC1 ZINC001251896711 950934019 /nfs/dbraw/zinc/93/40/19/950934019.db2.gz LYUZZOCSMFOTRL-LBPRGKRZSA-N 1 2 295.766 1.166 20 30 CDEDLO C=CCOC[C@@H](O)CNc1ccccc1-n1cc[nH+]c1 ZINC001252450721 951286292 /nfs/dbraw/zinc/28/62/92/951286292.db2.gz GMOBEKRXYIWUAZ-ZDUSSCGKSA-N 1 2 273.336 1.848 20 30 CDEDLO C=C[C@](C)(O)CNc1ccc(N2CC[C@H](O)C2)[nH+]c1 ZINC001252545926 951431765 /nfs/dbraw/zinc/43/17/65/951431765.db2.gz QPKBOACIQKEEJS-JSGCOSHPSA-N 1 2 263.341 1.002 20 30 CDEDLO C=C[C@@](C)(O)C[NH2+][C@@H](CC1CCC1)C(=O)OCC ZINC001252577847 951469354 /nfs/dbraw/zinc/46/93/54/951469354.db2.gz NDYIBGSYNVFAMY-GXTWGEPZSA-N 1 2 255.358 1.635 20 30 CDEDLO C=C[C@@H](O)CN1CC[C@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001253587829 951979888 /nfs/dbraw/zinc/97/98/88/951979888.db2.gz PCRLLSFXBHKMTO-OLZOCXBDSA-N 1 2 274.355 1.729 20 30 CDEDLO C=C[C@@H](O)C[NH2+][C@H](C(=O)OCc1ccccc1)C(C)C ZINC001253601213 951989564 /nfs/dbraw/zinc/98/95/64/951989564.db2.gz MPHBBUDSNKJXHH-CABCVRRESA-N 1 2 277.364 1.891 20 30 CDEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1cc(F)ccc1F ZINC001253749066 952083531 /nfs/dbraw/zinc/08/35/31/952083531.db2.gz DDKFFDRGKNKLDX-UHFFFAOYSA-N 1 2 282.290 1.485 20 30 CDEDLO C#CCOCC[N@H+](C)CC(=O)Nc1cc(F)ccc1F ZINC001253749066 952083537 /nfs/dbraw/zinc/08/35/37/952083537.db2.gz DDKFFDRGKNKLDX-UHFFFAOYSA-N 1 2 282.290 1.485 20 30 CDEDLO C=CC[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(=O)OCC ZINC001324567329 953443199 /nfs/dbraw/zinc/44/31/99/953443199.db2.gz QXOJFCNSQDGBIO-VXGBXAGGSA-N 1 2 291.351 1.070 20 30 CDEDLO C#CC[N@H+](CC1CC1)[C@H](C)c1nc(N)nc(Cl)n1 ZINC001327312631 954823409 /nfs/dbraw/zinc/82/34/09/954823409.db2.gz LFGIHLKCPMVJGV-MRVPVSSYSA-N 1 2 265.748 1.513 20 30 CDEDLO C#CC[N@@H+](CC1CC1)[C@H](C)c1nc(N)nc(Cl)n1 ZINC001327312631 954823422 /nfs/dbraw/zinc/82/34/22/954823422.db2.gz LFGIHLKCPMVJGV-MRVPVSSYSA-N 1 2 265.748 1.513 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001366578975 956987663 /nfs/dbraw/zinc/98/76/63/956987663.db2.gz KORHWHNQQFSZKV-LLVKDONJSA-N 1 2 296.802 1.315 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001366578975 956987673 /nfs/dbraw/zinc/98/76/73/956987673.db2.gz KORHWHNQQFSZKV-LLVKDONJSA-N 1 2 296.802 1.315 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](CC)SC)C1 ZINC001494541947 972251882 /nfs/dbraw/zinc/25/18/82/972251882.db2.gz IVJZPPBPRUOJEU-LLVKDONJSA-N 1 2 276.833 1.929 20 30 CDEDLO CC#CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)[O-] ZINC001332000263 957392296 /nfs/dbraw/zinc/39/22/96/957392296.db2.gz WWZXBWBCCOUIPO-OAHLLOKOSA-N 1 2 283.331 1.829 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC001319655918 958675171 /nfs/dbraw/zinc/67/51/71/958675171.db2.gz JPXMAVLPOCZMJF-UHFFFAOYSA-N 1 2 296.330 1.690 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC001319655918 958675180 /nfs/dbraw/zinc/67/51/80/958675180.db2.gz JPXMAVLPOCZMJF-UHFFFAOYSA-N 1 2 296.330 1.690 20 30 CDEDLO N#Cc1cc(N2CCn3c[nH+]cc3C2)c([N+](=O)[O-])s1 ZINC001334212725 958940554 /nfs/dbraw/zinc/94/05/54/958940554.db2.gz CERUGZMIVOATGE-UHFFFAOYSA-N 1 2 275.293 1.745 20 30 CDEDLO C=CC[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(=O)OCC ZINC001320424427 959160719 /nfs/dbraw/zinc/16/07/19/959160719.db2.gz KFWQFZXKBCOOEA-DGCLKSJQSA-N 1 2 291.351 1.070 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1n[nH]c2c1CCC2 ZINC001492982783 959497895 /nfs/dbraw/zinc/49/78/95/959497895.db2.gz ROKRQYLGFKHUIL-UHFFFAOYSA-N 1 2 296.802 1.703 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1n[nH]c2c1CCC2 ZINC001492982783 959497905 /nfs/dbraw/zinc/49/79/05/959497905.db2.gz ROKRQYLGFKHUIL-UHFFFAOYSA-N 1 2 296.802 1.703 20 30 CDEDLO COCC#CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001336227652 960262579 /nfs/dbraw/zinc/26/25/79/960262579.db2.gz JELXIGIXYMOFLX-UHFFFAOYSA-N 1 2 260.293 1.603 20 30 CDEDLO COCC#CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001336227652 960262592 /nfs/dbraw/zinc/26/25/92/960262592.db2.gz JELXIGIXYMOFLX-UHFFFAOYSA-N 1 2 260.293 1.603 20 30 CDEDLO N#C[C@@H]1CCC[C@H]([NH2+][C@H](C(N)=O)c2ccccn2)C1 ZINC001560846720 961017230 /nfs/dbraw/zinc/01/72/30/961017230.db2.gz MJLXOQQJAVONGA-MDZLAQPJSA-N 1 2 258.325 1.280 20 30 CDEDLO C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)Cc1ncn[nH]1 ZINC001437050648 962582610 /nfs/dbraw/zinc/58/26/10/962582610.db2.gz BNOKGNVBZLLNQA-NSHDSACASA-N 1 2 297.790 1.070 20 30 CDEDLO C#C[C@@H](NC(=O)N1CCC(c2c[nH+]cn2C)CC1)C(C)C ZINC001341617370 963484435 /nfs/dbraw/zinc/48/44/35/963484435.db2.gz CZKDBHAXEWLEQG-CQSZACIVSA-N 1 2 288.395 1.967 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(C)nn1C ZINC001439365275 963739309 /nfs/dbraw/zinc/73/93/09/963739309.db2.gz MODSHMZFZHWQNS-NSHDSACASA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc(C)nn1C ZINC001439365275 963739316 /nfs/dbraw/zinc/73/93/16/963739316.db2.gz MODSHMZFZHWQNS-NSHDSACASA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)COCC1CC1 ZINC001440905877 964245645 /nfs/dbraw/zinc/24/56/45/964245645.db2.gz IMCFHFQWHDMWMZ-LLVKDONJSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)COCC1CC1 ZINC001440905877 964245655 /nfs/dbraw/zinc/24/56/55/964245655.db2.gz IMCFHFQWHDMWMZ-LLVKDONJSA-N 1 2 274.792 1.602 20 30 CDEDLO Cn1c[nH+]cc1CCCOC(=O)CSCC#N ZINC001346227690 964998332 /nfs/dbraw/zinc/99/83/32/964998332.db2.gz YMBJFYGTBNKVGQ-UHFFFAOYSA-N 1 2 253.327 1.153 20 30 CDEDLO N#Cc1cccc2c1CCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001557102228 965145698 /nfs/dbraw/zinc/14/56/98/965145698.db2.gz CNOJXMXGWSTLJL-UHFFFAOYSA-N 1 2 266.304 1.803 20 30 CDEDLO CCn1ccnc1[C@@H](C#N)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001347337569 965479687 /nfs/dbraw/zinc/47/96/87/965479687.db2.gz JPPIPEYISGZDSP-RYUDHWBXSA-N 1 2 262.357 1.665 20 30 CDEDLO C[C@H](C#N)C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001443573373 965518502 /nfs/dbraw/zinc/51/85/02/965518502.db2.gz SGVGZACSXXEBOR-SNVBAGLBSA-N 1 2 288.376 1.327 20 30 CDEDLO C=C[C@](C)(O)c1cn(Cc2c[nH+]ccc2OC)nn1 ZINC001349758191 966460503 /nfs/dbraw/zinc/46/05/03/966460503.db2.gz XINCPUBXKAHKOH-ZDUSSCGKSA-N 1 2 260.297 1.124 20 30 CDEDLO C#CCC[NH2+]C1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001100348902 968083486 /nfs/dbraw/zinc/08/34/86/968083486.db2.gz KBEOHOZQAPNVOA-UDNWOFFPSA-N 1 2 280.265 1.395 20 30 CDEDLO C#CCC[NH2+]C1CC(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001100348902 968083496 /nfs/dbraw/zinc/08/34/96/968083496.db2.gz KBEOHOZQAPNVOA-UDNWOFFPSA-N 1 2 280.265 1.395 20 30 CDEDLO CCN(CCNC(=O)C#CC(C)C)c1cc[nH+]c(C)n1 ZINC001100518437 968571841 /nfs/dbraw/zinc/57/18/41/968571841.db2.gz GWSMAUBDDUSTSQ-UHFFFAOYSA-N 1 2 274.368 1.387 20 30 CDEDLO C[C@@H](CC(=O)Nc1ccncc1C#N)n1cc[nH+]c1 ZINC001530310886 969109410 /nfs/dbraw/zinc/10/94/10/969109410.db2.gz PGDDWCICWPMYGI-JTQLQIEISA-N 1 2 255.281 1.161 20 30 CDEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@H]2C[C@H]2C1 ZINC001356152973 969343410 /nfs/dbraw/zinc/34/34/10/969343410.db2.gz RSMRUIPPMFFMAR-STQMWFEESA-N 1 2 298.394 1.635 20 30 CDEDLO C#Cc1cccc(N(C)C(=O)CCc2[nH+]ccn2C)c1 ZINC001520954876 970248865 /nfs/dbraw/zinc/24/88/65/970248865.db2.gz YNWKTUODXJNJOX-UHFFFAOYSA-N 1 2 267.332 1.997 20 30 CDEDLO C#CCN(C)c1nnc(C[NH+]2CCCCC2)n1CC ZINC001521111276 970262188 /nfs/dbraw/zinc/26/21/88/970262188.db2.gz DVSPRJNUYUVYLF-UHFFFAOYSA-N 1 2 261.373 1.353 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCc3cc[nH+]c(N)c3C2)cc1O ZINC001470907980 970378323 /nfs/dbraw/zinc/37/83/23/970378323.db2.gz QQABEGMNLDAOOF-UHFFFAOYSA-N 1 2 294.314 1.440 20 30 CDEDLO COc1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1C#N ZINC001471301550 970408537 /nfs/dbraw/zinc/40/85/37/970408537.db2.gz IEXNEZWXCGJYLH-UHFFFAOYSA-N 1 2 270.292 1.861 20 30 CDEDLO COc1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1C#N ZINC001471301550 970408542 /nfs/dbraw/zinc/40/85/42/970408542.db2.gz IEXNEZWXCGJYLH-UHFFFAOYSA-N 1 2 270.292 1.861 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CC1(O)CCC1 ZINC001375053351 974244198 /nfs/dbraw/zinc/24/41/98/974244198.db2.gz ZXMHMSUKDLBHJW-LLVKDONJSA-N 1 2 274.792 1.481 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CC1(O)CCC1 ZINC001375053351 974244203 /nfs/dbraw/zinc/24/42/03/974244203.db2.gz ZXMHMSUKDLBHJW-LLVKDONJSA-N 1 2 274.792 1.481 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cncnc1C ZINC001505876541 975017986 /nfs/dbraw/zinc/01/79/86/975017986.db2.gz IGYQJDYAHCJWAM-JTQLQIEISA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cncnc1C ZINC001505876541 975017994 /nfs/dbraw/zinc/01/79/94/975017994.db2.gz IGYQJDYAHCJWAM-JTQLQIEISA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2cscn2)C1 ZINC001506658963 975199123 /nfs/dbraw/zinc/19/91/23/975199123.db2.gz IYJFDAMGOLWHGJ-SNVBAGLBSA-N 1 2 299.827 1.875 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCCn1cncn1 ZINC001401418669 975654219 /nfs/dbraw/zinc/65/42/19/975654219.db2.gz BVZIMPXPOXKJRX-UHFFFAOYSA-N 1 2 299.806 1.201 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCCn1cncn1 ZINC001401418669 975654221 /nfs/dbraw/zinc/65/42/21/975654221.db2.gz BVZIMPXPOXKJRX-UHFFFAOYSA-N 1 2 299.806 1.201 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)COCC2CC2)C1 ZINC001402131798 976139091 /nfs/dbraw/zinc/13/90/91/976139091.db2.gz IYDACCJSMZKDPF-CQSZACIVSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)COCC2CC2)C1 ZINC001402131798 976139098 /nfs/dbraw/zinc/13/90/98/976139098.db2.gz IYDACCJSMZKDPF-CQSZACIVSA-N 1 2 286.803 1.746 20 30 CDEDLO Cc1nnc([C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H](C)C#N)o1 ZINC001402639708 976418119 /nfs/dbraw/zinc/41/81/19/976418119.db2.gz RMIJROJQTBPIKC-GHMZBOCLSA-N 1 2 293.371 1.379 20 30 CDEDLO Cc1nnc([C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@H](C)C#N)o1 ZINC001402639708 976418127 /nfs/dbraw/zinc/41/81/27/976418127.db2.gz RMIJROJQTBPIKC-GHMZBOCLSA-N 1 2 293.371 1.379 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cc1cnccc1C ZINC001399502905 976537059 /nfs/dbraw/zinc/53/70/59/976537059.db2.gz LOMKLNUIWDGQJP-UHFFFAOYSA-N 1 2 281.787 1.733 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cc1cnccc1C ZINC001399502905 976537068 /nfs/dbraw/zinc/53/70/68/976537068.db2.gz LOMKLNUIWDGQJP-UHFFFAOYSA-N 1 2 281.787 1.733 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnc2n1CCCC2 ZINC001399565866 976568741 /nfs/dbraw/zinc/56/87/41/976568741.db2.gz BUMBZKYIYHAWBD-UHFFFAOYSA-N 1 2 296.802 1.634 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnc2n1CCCC2 ZINC001399565866 976568758 /nfs/dbraw/zinc/56/87/58/976568758.db2.gz BUMBZKYIYHAWBD-UHFFFAOYSA-N 1 2 296.802 1.634 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnsn1 ZINC001390885011 976586540 /nfs/dbraw/zinc/58/65/40/976586540.db2.gz PHHCKMFHNCAZHU-UHFFFAOYSA-N 1 2 274.777 1.342 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnsn1 ZINC001390885011 976586544 /nfs/dbraw/zinc/58/65/44/976586544.db2.gz PHHCKMFHNCAZHU-UHFFFAOYSA-N 1 2 274.777 1.342 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cn(C)nc1C)C1CC1 ZINC001404211567 977369043 /nfs/dbraw/zinc/36/90/43/977369043.db2.gz PEYOMBFPEPRMCY-UHFFFAOYSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cn(C)nc1C)C1CC1 ZINC001404211567 977369052 /nfs/dbraw/zinc/36/90/52/977369052.db2.gz PEYOMBFPEPRMCY-UHFFFAOYSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1cc(C)on1)C1CC1 ZINC001404211533 977369154 /nfs/dbraw/zinc/36/91/54/977369154.db2.gz OIRONWDEROSWEA-UHFFFAOYSA-N 1 2 297.786 1.859 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1cc(C)on1)C1CC1 ZINC001404211533 977369157 /nfs/dbraw/zinc/36/91/57/977369157.db2.gz OIRONWDEROSWEA-UHFFFAOYSA-N 1 2 297.786 1.859 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1ccc(F)cn1 ZINC001394084150 978057189 /nfs/dbraw/zinc/05/71/89/978057189.db2.gz XFKMLIHYSHYPSD-NSHDSACASA-N 1 2 299.777 1.952 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1ccc(F)cn1 ZINC001394084150 978057196 /nfs/dbraw/zinc/05/71/96/978057196.db2.gz XFKMLIHYSHYPSD-NSHDSACASA-N 1 2 299.777 1.952 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nnc(OCC)s1 ZINC001132398822 1163267284 /nfs/dbraw/zinc/26/72/84/1163267284.db2.gz QDOGSHKFPZTHLV-UHFFFAOYSA-N 1 2 298.412 1.355 20 30 CDEDLO CC#CCCCC(=O)NCC[NH2+]Cc1nc(C(C)C)no1 ZINC001132591007 1163393611 /nfs/dbraw/zinc/39/36/11/1163393611.db2.gz CSADMZHPJBVGQC-UHFFFAOYSA-N 1 2 292.383 1.592 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001132668057 1163433468 /nfs/dbraw/zinc/43/34/68/1163433468.db2.gz ZSHQAFSBFYTWKM-WDEREUQCSA-N 1 2 280.372 1.747 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+]Cc1cnsn1 ZINC001133142423 1163580801 /nfs/dbraw/zinc/58/08/01/1163580801.db2.gz ANHURSKBRYSQNK-UHFFFAOYSA-N 1 2 254.359 1.100 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccon1 ZINC001570697102 1170233616 /nfs/dbraw/zinc/23/36/16/1170233616.db2.gz ATVZXMNELYKVMA-VIFPVBQESA-N 1 2 257.721 1.477 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccon1 ZINC001570697102 1170233619 /nfs/dbraw/zinc/23/36/19/1170233619.db2.gz ATVZXMNELYKVMA-VIFPVBQESA-N 1 2 257.721 1.477 20 30 CDEDLO C=CCCn1cc(CNc2cc(C)[nH+]cc2C#N)nn1 ZINC000601178068 342487366 /nfs/dbraw/zinc/48/73/66/342487366.db2.gz KFAAXSUIWCBJAW-UHFFFAOYSA-N 1 2 268.324 1.463 20 30 CDEDLO CCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000034689314 361802991 /nfs/dbraw/zinc/80/29/91/361802991.db2.gz XBIBFEALMDFZHB-UHFFFAOYSA-N 1 2 293.392 1.275 20 30 CDEDLO C=CCOc1ccccc1C(=O)NCCc1c[nH+]cn1C ZINC000121589567 342088599 /nfs/dbraw/zinc/08/85/99/342088599.db2.gz KYBNJHIWSQLIJQ-UHFFFAOYSA-N 1 2 285.347 1.957 20 30 CDEDLO C[N@H+](CCC#N)CCc1nc2ccccc2c(=O)[nH]1 ZINC000083218211 178357765 /nfs/dbraw/zinc/35/77/65/178357765.db2.gz YFPFGSUCKHYMIH-UHFFFAOYSA-N 1 2 256.309 1.311 20 30 CDEDLO C[N@@H+](CCC#N)CCc1nc2ccccc2c(=O)[nH]1 ZINC000083218211 178357766 /nfs/dbraw/zinc/35/77/66/178357766.db2.gz YFPFGSUCKHYMIH-UHFFFAOYSA-N 1 2 256.309 1.311 20 30 CDEDLO N#Cc1cccc2c1CCN2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000591536504 342635254 /nfs/dbraw/zinc/63/52/54/342635254.db2.gz BKPVYULLQIOPFW-ZDUSSCGKSA-N 1 2 292.342 1.906 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3ccccn3)CC2)nc1 ZINC000054369325 342146690 /nfs/dbraw/zinc/14/66/90/342146690.db2.gz NPFZQDSGKTXBDC-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO CC(=O)N(C)C1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000591818873 342647325 /nfs/dbraw/zinc/64/73/25/342647325.db2.gz UUQJMROZMBKZDJ-UHFFFAOYSA-N 1 2 272.352 1.709 20 30 CDEDLO Cn1c[nH+]cc1CNc1ncc2c(c1C#N)CCC2 ZINC000591825125 342647762 /nfs/dbraw/zinc/64/77/62/342647762.db2.gz FSERGXAQGDNVAD-UHFFFAOYSA-N 1 2 253.309 1.788 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCSCC1 ZINC000047992872 342151332 /nfs/dbraw/zinc/15/13/32/342151332.db2.gz AVYRIZWUXNMGNJ-GFCCVEGCSA-N 1 2 281.425 1.766 20 30 CDEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@H]1CNc2ccnn2C1 ZINC000619264543 342152690 /nfs/dbraw/zinc/15/26/90/342152690.db2.gz IRRKOVSJNOZYNY-CQSZACIVSA-N 1 2 296.378 1.736 20 30 CDEDLO N#CCC[N@H+](Cc1ccccn1)C[C@H]1CNc2ccnn2C1 ZINC000619264543 342152691 /nfs/dbraw/zinc/15/26/91/342152691.db2.gz IRRKOVSJNOZYNY-CQSZACIVSA-N 1 2 296.378 1.736 20 30 CDEDLO Cc1cncc(/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000493352089 342666701 /nfs/dbraw/zinc/66/67/01/342666701.db2.gz LIVMIICIRHFRNX-YVACAVLKSA-N 1 2 272.352 1.363 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147937 342668108 /nfs/dbraw/zinc/66/81/08/342668108.db2.gz UFYKFUIVZOHDQV-NHYWBVRUSA-N 1 2 291.326 1.503 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147937 342668109 /nfs/dbraw/zinc/66/81/09/342668109.db2.gz UFYKFUIVZOHDQV-NHYWBVRUSA-N 1 2 291.326 1.503 20 30 CDEDLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150171 342668705 /nfs/dbraw/zinc/66/87/05/342668705.db2.gz BKTZYWWAYAGNOB-SMDDNHRTSA-N 1 2 268.357 1.457 20 30 CDEDLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150171 342668706 /nfs/dbraw/zinc/66/87/06/342668706.db2.gz BKTZYWWAYAGNOB-SMDDNHRTSA-N 1 2 268.357 1.457 20 30 CDEDLO CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152524 342669506 /nfs/dbraw/zinc/66/95/06/342669506.db2.gz YOVDVSHCDKAGER-ZBFHGGJFSA-N 1 2 288.347 1.641 20 30 CDEDLO CCOC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152524 342669507 /nfs/dbraw/zinc/66/95/07/342669507.db2.gz YOVDVSHCDKAGER-ZBFHGGJFSA-N 1 2 288.347 1.641 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2nc3c(s2)CCC3)C1 ZINC000592522392 342702362 /nfs/dbraw/zinc/70/23/62/342702362.db2.gz MYWFILDUHVZSCA-CYBMUJFWSA-N 1 2 263.366 1.482 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2nc3c(s2)CCC3)C1 ZINC000592522392 342702363 /nfs/dbraw/zinc/70/23/63/342702363.db2.gz MYWFILDUHVZSCA-CYBMUJFWSA-N 1 2 263.366 1.482 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1coc(C2CCC2)n1 ZINC000593153366 342774239 /nfs/dbraw/zinc/77/42/39/342774239.db2.gz XMQIGLOSMYGSTL-CQSZACIVSA-N 1 2 276.340 1.516 20 30 CDEDLO CC[C@H](F)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000440770514 361920519 /nfs/dbraw/zinc/92/05/19/361920519.db2.gz JTEQFIQNGAWIPS-ZDUSSCGKSA-N 1 2 257.353 1.282 20 30 CDEDLO N#Cc1cccc(Cl)c1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593508247 342804510 /nfs/dbraw/zinc/80/45/10/342804510.db2.gz QXJQFTVKCWBFHU-GFCCVEGCSA-N 1 2 277.755 1.467 20 30 CDEDLO N#Cc1cccc(Cl)c1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593508247 342804511 /nfs/dbraw/zinc/80/45/11/342804511.db2.gz QXJQFTVKCWBFHU-GFCCVEGCSA-N 1 2 277.755 1.467 20 30 CDEDLO Cn1ncc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000290054121 361987204 /nfs/dbraw/zinc/98/72/04/361987204.db2.gz RXEZIJDILOKVJA-UHFFFAOYSA-N 1 2 267.336 1.851 20 30 CDEDLO Cn1ncc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000290054121 361987209 /nfs/dbraw/zinc/98/72/09/361987209.db2.gz RXEZIJDILOKVJA-UHFFFAOYSA-N 1 2 267.336 1.851 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000291310303 539041133 /nfs/dbraw/zinc/04/11/33/539041133.db2.gz TWPOIQHJGMJLSF-UHFFFAOYSA-N 1 2 298.346 1.766 20 30 CDEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCn2c[nH+]cc2C1 ZINC000594360371 342895949 /nfs/dbraw/zinc/89/59/49/342895949.db2.gz TWCNWWMDAUWGCI-ZDUSSCGKSA-N 1 2 294.358 1.976 20 30 CDEDLO Cc1c[nH+]c(CCNc2ncncc2C#N)c(C)c1 ZINC000594595828 342923444 /nfs/dbraw/zinc/92/34/44/342923444.db2.gz MDZDYUPPJVYOAF-UHFFFAOYSA-N 1 2 253.309 1.437 20 30 CDEDLO C[C@H](C#N)CN(C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068636296 342270377 /nfs/dbraw/zinc/27/03/77/342270377.db2.gz RYNSGOVRYRQRHY-CYBMUJFWSA-N 1 2 286.379 1.803 20 30 CDEDLO CC(C)(C)n1nnc(C[NH2+]CC(C)(C)CC#N)n1 ZINC000594943646 342979925 /nfs/dbraw/zinc/97/99/25/342979925.db2.gz FLUJUWKFXOSJEH-UHFFFAOYSA-N 1 2 250.350 1.458 20 30 CDEDLO COc1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)on1 ZINC000595294682 343026285 /nfs/dbraw/zinc/02/62/85/343026285.db2.gz BSIPSBOREBRDNE-UHFFFAOYSA-N 1 2 299.334 1.272 20 30 CDEDLO C[C@@H]1CN(CC[N@@H+]2CCC[C@@](C)(C#N)C2)C[C@@H](C)O1 ZINC000595427195 343056866 /nfs/dbraw/zinc/05/68/66/343056866.db2.gz SLUHMHLCUBELPW-KFWWJZLASA-N 1 2 265.401 1.721 20 30 CDEDLO C[C@@H]1CN(CC[N@H+]2CCC[C@@](C)(C#N)C2)C[C@@H](C)O1 ZINC000595427195 343056867 /nfs/dbraw/zinc/05/68/67/343056867.db2.gz SLUHMHLCUBELPW-KFWWJZLASA-N 1 2 265.401 1.721 20 30 CDEDLO C[N@H+](CCOc1ccc(C#N)cc1)Cc1n[nH]c(=O)o1 ZINC000595548671 343084683 /nfs/dbraw/zinc/08/46/83/343084683.db2.gz XVTPBQVRZBBNNQ-UHFFFAOYSA-N 1 2 274.280 1.158 20 30 CDEDLO C[N@@H+](CCOc1ccc(C#N)cc1)Cc1n[nH]c(=O)o1 ZINC000595548671 343084684 /nfs/dbraw/zinc/08/46/84/343084684.db2.gz XVTPBQVRZBBNNQ-UHFFFAOYSA-N 1 2 274.280 1.158 20 30 CDEDLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)n(C)n1 ZINC000595611158 343109181 /nfs/dbraw/zinc/10/91/81/343109181.db2.gz HSHZCHODZYSNEW-GFCCVEGCSA-N 1 2 275.356 1.293 20 30 CDEDLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)n(C)n1 ZINC000595611158 343109182 /nfs/dbraw/zinc/10/91/82/343109182.db2.gz HSHZCHODZYSNEW-GFCCVEGCSA-N 1 2 275.356 1.293 20 30 CDEDLO Cn1c[nH+]c(CN2CCN(c3ccsc3C#N)CC2)c1 ZINC000595629643 343113104 /nfs/dbraw/zinc/11/31/04/343113104.db2.gz HUFZKEYRRVTCBK-UHFFFAOYSA-N 1 2 287.392 1.675 20 30 CDEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000081039578 342363375 /nfs/dbraw/zinc/36/33/75/342363375.db2.gz XJWXNEDOUJWXIR-LBPRGKRZSA-N 1 2 294.399 1.769 20 30 CDEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000081039578 342363376 /nfs/dbraw/zinc/36/33/76/342363376.db2.gz XJWXNEDOUJWXIR-LBPRGKRZSA-N 1 2 294.399 1.769 20 30 CDEDLO N#Cc1cnc(N2CCC[C@@H]([NH+]3CCOCC3)C2)c(F)c1 ZINC000596246872 343286679 /nfs/dbraw/zinc/28/66/79/343286679.db2.gz JAFNYMFCDSWGKL-CYBMUJFWSA-N 1 2 290.342 1.393 20 30 CDEDLO CC1(C)C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CCS1 ZINC000083419070 342377123 /nfs/dbraw/zinc/37/71/23/342377123.db2.gz JRNGCAQDMYMATJ-CYBMUJFWSA-N 1 2 289.404 1.912 20 30 CDEDLO CC1(C)C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CCS1 ZINC000083419070 342377124 /nfs/dbraw/zinc/37/71/24/342377124.db2.gz JRNGCAQDMYMATJ-CYBMUJFWSA-N 1 2 289.404 1.912 20 30 CDEDLO COCC[C@@H](C)O[NH+]=C(N)COc1ccccc1 ZINC000088509716 342386433 /nfs/dbraw/zinc/38/64/33/342386433.db2.gz QBYBFDXISIFWQZ-LLVKDONJSA-N 1 2 252.314 1.779 20 30 CDEDLO Cc1nnc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c(C#N)c1C ZINC000596426919 343311808 /nfs/dbraw/zinc/31/18/08/343311808.db2.gz DBIXRKRPMWKJNC-QWRGUYRKSA-N 1 2 289.383 1.486 20 30 CDEDLO Cc1nnc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c(C#N)c1C ZINC000596426919 343311810 /nfs/dbraw/zinc/31/18/10/343311810.db2.gz DBIXRKRPMWKJNC-QWRGUYRKSA-N 1 2 289.383 1.486 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCS1 ZINC000330189113 362174286 /nfs/dbraw/zinc/17/42/86/362174286.db2.gz LPBDWPFQUXVENJ-GHMZBOCLSA-N 1 2 280.397 1.549 20 30 CDEDLO N#CCN(CC#N)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000597029495 343431112 /nfs/dbraw/zinc/43/11/12/343431112.db2.gz FFWRURQBOPMOOA-CQSZACIVSA-N 1 2 293.330 1.807 20 30 CDEDLO N#Cc1ccccc1OCC[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000060464735 349810436 /nfs/dbraw/zinc/81/04/36/349810436.db2.gz MUBHZONHGPEMSB-UHFFFAOYSA-N 1 2 299.374 1.491 20 30 CDEDLO COCC[N@H+](CCC#N)C[C@@H](O)COc1ccccc1C ZINC000072690522 349812014 /nfs/dbraw/zinc/81/20/14/349812014.db2.gz HHZSWUHEFPNCOV-OAHLLOKOSA-N 1 2 292.379 1.597 20 30 CDEDLO COCC[N@@H+](CCC#N)C[C@@H](O)COc1ccccc1C ZINC000072690522 349812021 /nfs/dbraw/zinc/81/20/21/349812021.db2.gz HHZSWUHEFPNCOV-OAHLLOKOSA-N 1 2 292.379 1.597 20 30 CDEDLO COc1cc(NCCCNc2cc(C)[nH+]cc2C#N)ncn1 ZINC000598638202 343863568 /nfs/dbraw/zinc/86/35/68/343863568.db2.gz BUXRSJPPBYBZER-UHFFFAOYSA-N 1 2 298.350 1.396 20 30 CDEDLO N#CCc1ccccc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000601650292 344212671 /nfs/dbraw/zinc/21/26/71/344212671.db2.gz SIINRPKASMFPOM-ZDUSSCGKSA-N 1 2 280.331 1.694 20 30 CDEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N(CCC#N)C(C)(C)CC ZINC000602306764 344394837 /nfs/dbraw/zinc/39/48/37/344394837.db2.gz GEWLLZFBNHCCNZ-ZDUSSCGKSA-N 1 2 281.400 1.638 20 30 CDEDLO CC[N@H+]1CCOC[C@H]1C(=O)N(CCC#N)C(C)(C)CC ZINC000602306764 344394838 /nfs/dbraw/zinc/39/48/38/344394838.db2.gz GEWLLZFBNHCCNZ-ZDUSSCGKSA-N 1 2 281.400 1.638 20 30 CDEDLO C=CCC[C@@H]([NH2+][C@@H]1CCCNC(=O)C1)C(=O)OCC ZINC000602682761 344528899 /nfs/dbraw/zinc/52/88/99/344528899.db2.gz RQUJNZNRFWDEAE-VXGBXAGGSA-N 1 2 268.357 1.143 20 30 CDEDLO C=CCC[C@H]([NH2+][C@H](C)Cc1cnccn1)C(=O)OCC ZINC000602683812 344529676 /nfs/dbraw/zinc/52/96/76/344529676.db2.gz WCQFZWAIBNAVIY-OCCSQVGLSA-N 1 2 277.368 1.895 20 30 CDEDLO CN(CC[NH+]1CCOCC1)c1ccc(C#N)cc1F ZINC000265573601 362452816 /nfs/dbraw/zinc/45/28/16/362452816.db2.gz LTCUIQJWIZYVCR-UHFFFAOYSA-N 1 2 263.316 1.466 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000602860650 344616878 /nfs/dbraw/zinc/61/68/78/344616878.db2.gz DAEUENQFUDLIJB-CHWSQXEVSA-N 1 2 259.353 1.925 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000602861719 344617552 /nfs/dbraw/zinc/61/75/52/344617552.db2.gz HXFDQBYOYHGAIR-GHMZBOCLSA-N 1 2 263.316 1.722 20 30 CDEDLO COCCc1noc(C[N@H+](C)CC2(CC#N)CC2)n1 ZINC000602788759 344600340 /nfs/dbraw/zinc/60/03/40/344600340.db2.gz QLIPOSSCQFAQQN-UHFFFAOYSA-N 1 2 264.329 1.384 20 30 CDEDLO COCCc1noc(C[N@@H+](C)CC2(CC#N)CC2)n1 ZINC000602788759 344600342 /nfs/dbraw/zinc/60/03/42/344600342.db2.gz QLIPOSSCQFAQQN-UHFFFAOYSA-N 1 2 264.329 1.384 20 30 CDEDLO CCc1nc(NC(=O)C[NH2+][C@H](C)CC#N)sc1C ZINC000602869368 344640625 /nfs/dbraw/zinc/64/06/25/344640625.db2.gz NPVMYARSFHIADL-MRVPVSSYSA-N 1 2 266.370 1.844 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000602870421 344641195 /nfs/dbraw/zinc/64/11/95/344641195.db2.gz SZVRDHPOVRMOIJ-MFKMUULPSA-N 1 2 288.307 1.592 20 30 CDEDLO CCCCNC(=O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609484938 344915033 /nfs/dbraw/zinc/91/50/33/344915033.db2.gz HCDLDUIXBWOMDL-AWEZNQCLSA-N 1 2 280.416 1.068 20 30 CDEDLO CCOCCC/[NH+]=C/c1c(O)c(C)ncc1CO ZINC000005110656 344942014 /nfs/dbraw/zinc/94/20/14/344942014.db2.gz KVDZDGPHDGXQSF-RIYZIHGNSA-N 1 2 252.314 1.433 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)C[C@@H](C)O1 ZINC000408124946 260252076 /nfs/dbraw/zinc/25/20/76/260252076.db2.gz UYVZTFQUQHUIDY-VXGBXAGGSA-N 1 2 265.357 1.048 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)C[C@@H](C)O1 ZINC000408124946 260252078 /nfs/dbraw/zinc/25/20/78/260252078.db2.gz UYVZTFQUQHUIDY-VXGBXAGGSA-N 1 2 265.357 1.048 20 30 CDEDLO N#CCCCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000273073695 345363586 /nfs/dbraw/zinc/36/35/86/345363586.db2.gz JSWKRJDBEAIUKT-UHFFFAOYSA-N 1 2 257.297 1.437 20 30 CDEDLO C#CCCN1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000127410318 187303466 /nfs/dbraw/zinc/30/34/66/187303466.db2.gz PIYHAZMIRDKMFS-UHFFFAOYSA-N 1 2 283.375 1.578 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000340651410 345495647 /nfs/dbraw/zinc/49/56/47/345495647.db2.gz RLTBCZGNQYKXRO-CHWSQXEVSA-N 1 2 292.383 1.249 20 30 CDEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](O)C1 ZINC000074313371 345677700 /nfs/dbraw/zinc/67/77/00/345677700.db2.gz MCTREAMULYKXTK-LBPRGKRZSA-N 1 2 292.404 1.970 20 30 CDEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](O)C1 ZINC000074313371 345677704 /nfs/dbraw/zinc/67/77/04/345677704.db2.gz MCTREAMULYKXTK-LBPRGKRZSA-N 1 2 292.404 1.970 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000584663339 346385004 /nfs/dbraw/zinc/38/50/04/346385004.db2.gz YWMDVAFQRMSKPV-LBPRGKRZSA-N 1 2 284.356 1.881 20 30 CDEDLO N#Cc1ccc(CN2CC[NH+](Cc3cn[nH]c3)CC2)cc1 ZINC000611252856 346720607 /nfs/dbraw/zinc/72/06/07/346720607.db2.gz ZAIPWFBWCLFIGE-UHFFFAOYSA-N 1 2 281.363 1.599 20 30 CDEDLO CCN1CC[NH+]([C@@H](C)CNc2nc(C#N)ccc2C)CC1 ZINC000611399396 346774850 /nfs/dbraw/zinc/77/48/50/346774850.db2.gz MXGMNQLNXLDJNM-AWEZNQCLSA-N 1 2 287.411 1.700 20 30 CDEDLO C[C@H](CC#N)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612618948 347225796 /nfs/dbraw/zinc/22/57/96/347225796.db2.gz CQBNBFJQOWTSAL-SNVBAGLBSA-N 1 2 297.336 1.260 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054345372 347819693 /nfs/dbraw/zinc/81/96/93/347819693.db2.gz GXHXLBTZHJQWCN-UONOGXRCSA-N 1 2 264.369 1.440 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054345372 347819694 /nfs/dbraw/zinc/81/96/94/347819694.db2.gz GXHXLBTZHJQWCN-UONOGXRCSA-N 1 2 264.369 1.440 20 30 CDEDLO C=C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C(=O)OC ZINC000619703208 347956792 /nfs/dbraw/zinc/95/67/92/347956792.db2.gz IBRPIEBWVWIBEA-WUHRBBMRSA-N 1 2 265.353 1.651 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)c1 ZINC000355160767 365956431 /nfs/dbraw/zinc/95/64/31/365956431.db2.gz IWSGGPKUQZRIIY-XJKSGUPXSA-N 1 2 277.364 1.833 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)c1 ZINC000355160767 365956438 /nfs/dbraw/zinc/95/64/38/365956438.db2.gz IWSGGPKUQZRIIY-XJKSGUPXSA-N 1 2 277.364 1.833 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCN(C)c1ccccc1 ZINC000619717867 348186231 /nfs/dbraw/zinc/18/62/31/348186231.db2.gz RSMZUHAYNZDUMQ-CQSZACIVSA-N 1 2 262.353 1.782 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCN(C)c1ccccc1 ZINC000619717867 348186233 /nfs/dbraw/zinc/18/62/33/348186233.db2.gz RSMZUHAYNZDUMQ-CQSZACIVSA-N 1 2 262.353 1.782 20 30 CDEDLO COc1ccc(C[N@H+](C)CC(=O)NC2(C#N)CCC2)cn1 ZINC000615226056 348398507 /nfs/dbraw/zinc/39/85/07/348398507.db2.gz CATFPYOPMUKLIJ-UHFFFAOYSA-N 1 2 288.351 1.084 20 30 CDEDLO COc1ccc(C[N@@H+](C)CC(=O)NC2(C#N)CCC2)cn1 ZINC000615226056 348398509 /nfs/dbraw/zinc/39/85/09/348398509.db2.gz CATFPYOPMUKLIJ-UHFFFAOYSA-N 1 2 288.351 1.084 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000026464933 348660353 /nfs/dbraw/zinc/66/03/53/348660353.db2.gz CTYUCETXCAIUQD-ZDUSSCGKSA-N 1 2 289.379 1.205 20 30 CDEDLO CCOCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000058137591 348855473 /nfs/dbraw/zinc/85/54/73/348855473.db2.gz LMARUUDVGUOOTE-UHFFFAOYSA-N 1 2 287.363 1.239 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC000069021853 349086950 /nfs/dbraw/zinc/08/69/50/349086950.db2.gz ADLSJIRQTBVTRH-UHFFFAOYSA-N 1 2 274.364 1.568 20 30 CDEDLO C[C@](O)(C[N@@H+]1CCC[C@](C)(C#N)C1)C(F)(F)F ZINC000619621178 349274261 /nfs/dbraw/zinc/27/42/61/349274261.db2.gz ALWAHWCJAHUNTL-ZJUUUORDSA-N 1 2 250.264 1.925 20 30 CDEDLO C[C@](O)(C[N@H+]1CCC[C@](C)(C#N)C1)C(F)(F)F ZINC000619621178 349274263 /nfs/dbraw/zinc/27/42/63/349274263.db2.gz ALWAHWCJAHUNTL-ZJUUUORDSA-N 1 2 250.264 1.925 20 30 CDEDLO N#Cc1cccc(C[NH+]2CCN(c3ncccc3F)CC2)n1 ZINC000602478124 350113327 /nfs/dbraw/zinc/11/33/27/350113327.db2.gz WRYVSKQIWUMEGM-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO N#Cc1cccc(CN2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000602589210 350129166 /nfs/dbraw/zinc/12/91/66/350129166.db2.gz FABMEMOSKUBKQF-UHFFFAOYSA-N 1 2 293.374 1.666 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccnc(C#N)c1 ZINC000603129687 350206285 /nfs/dbraw/zinc/20/62/85/350206285.db2.gz OQEPXOXAZAYNPI-UHFFFAOYSA-N 1 2 284.323 1.704 20 30 CDEDLO COCC[N@H+](C)Cc1cn(Cc2ccc(C#N)cc2C)nn1 ZINC000603233821 350232192 /nfs/dbraw/zinc/23/21/92/350232192.db2.gz BZCXKIIDPMASFB-UHFFFAOYSA-N 1 2 299.378 1.585 20 30 CDEDLO COCC[N@@H+](C)Cc1cn(Cc2ccc(C#N)cc2C)nn1 ZINC000603233821 350232195 /nfs/dbraw/zinc/23/21/95/350232195.db2.gz BZCXKIIDPMASFB-UHFFFAOYSA-N 1 2 299.378 1.585 20 30 CDEDLO COCCN1CC[N@@H+]([C@H](C)c2ccc(C#N)cc2)CC1=O ZINC000091832467 180266454 /nfs/dbraw/zinc/26/64/54/180266454.db2.gz LSTBSWPXVUHKER-CYBMUJFWSA-N 1 2 287.363 1.410 20 30 CDEDLO COCCN1CC[N@H+]([C@H](C)c2ccc(C#N)cc2)CC1=O ZINC000091832467 180266456 /nfs/dbraw/zinc/26/64/56/180266456.db2.gz LSTBSWPXVUHKER-CYBMUJFWSA-N 1 2 287.363 1.410 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000110489854 186299483 /nfs/dbraw/zinc/29/94/83/186299483.db2.gz OQUCRDRLVDSUJM-NSHDSACASA-N 1 2 276.296 1.209 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000110489854 186299484 /nfs/dbraw/zinc/29/94/84/186299484.db2.gz OQUCRDRLVDSUJM-NSHDSACASA-N 1 2 276.296 1.209 20 30 CDEDLO CCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292212411 198203986 /nfs/dbraw/zinc/20/39/86/198203986.db2.gz OLHYAYIHUJFORM-DGCLKSJQSA-N 1 2 289.335 1.358 20 30 CDEDLO CCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292212411 198203987 /nfs/dbraw/zinc/20/39/87/198203987.db2.gz OLHYAYIHUJFORM-DGCLKSJQSA-N 1 2 289.335 1.358 20 30 CDEDLO C#CCC[N@H+]1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C ZINC000292243525 198216065 /nfs/dbraw/zinc/21/60/65/198216065.db2.gz XAGLMIYCBWNHBX-NXEZZACHSA-N 1 2 262.275 1.541 20 30 CDEDLO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C ZINC000292243525 198216067 /nfs/dbraw/zinc/21/60/67/198216067.db2.gz XAGLMIYCBWNHBX-NXEZZACHSA-N 1 2 262.275 1.541 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCOC2(CCC2)C1 ZINC000154086651 188123060 /nfs/dbraw/zinc/12/30/60/188123060.db2.gz BYQLHAFYQVKAJB-AWEZNQCLSA-N 1 2 278.396 1.830 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCOC2(CCC2)C1 ZINC000154086651 188123062 /nfs/dbraw/zinc/12/30/62/188123062.db2.gz BYQLHAFYQVKAJB-AWEZNQCLSA-N 1 2 278.396 1.830 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1cccnc1 ZINC000493158435 366195288 /nfs/dbraw/zinc/19/52/88/366195288.db2.gz OZNXNGDYMHPJIL-UZYOAWRESA-N 1 2 258.325 1.055 20 30 CDEDLO CCn1cc[nH+]c1/C=C/C(=O)NCC(C)(C)CC#N ZINC000493223173 366210039 /nfs/dbraw/zinc/21/00/39/366210039.db2.gz CBCFTMYEVXSGAG-AATRIKPKSA-N 1 2 260.341 1.972 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[S@@](=O)CC[C@@H]2C)cc1C#N ZINC000365474112 363387614 /nfs/dbraw/zinc/38/76/14/363387614.db2.gz MYUNFZSLZHBLEQ-YUNKPMOVSA-N 1 2 292.404 1.910 20 30 CDEDLO COc1ccc(C[N@H+]2CC[S@@](=O)CC[C@@H]2C)cc1C#N ZINC000365474112 363387620 /nfs/dbraw/zinc/38/76/20/363387620.db2.gz MYUNFZSLZHBLEQ-YUNKPMOVSA-N 1 2 292.404 1.910 20 30 CDEDLO Cc1c[nH+]c(CN2CCN(c3cc(C#N)ccn3)CC2)n1C ZINC000342806549 356260928 /nfs/dbraw/zinc/26/09/28/356260928.db2.gz KBBCTOPOHBRVPD-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO Cn1cc[nH+]c1CNc1c(C#N)nnc2ccccc21 ZINC000076324515 356523359 /nfs/dbraw/zinc/52/33/59/356523359.db2.gz QILKNPNERWVONQ-UHFFFAOYSA-N 1 2 264.292 1.847 20 30 CDEDLO CCc1ccc(/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C)o1 ZINC000493101453 358512842 /nfs/dbraw/zinc/51/28/42/358512842.db2.gz CNYWYWYRTROYHB-WHLNPGIBSA-N 1 2 275.352 1.815 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000299398292 357056559 /nfs/dbraw/zinc/05/65/59/357056559.db2.gz UQPVCJLKKKUKIZ-CQSZACIVSA-N 1 2 286.350 1.441 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000299268867 357007848 /nfs/dbraw/zinc/00/78/48/357007848.db2.gz LYUWRAFDQUZNGM-OAHLLOKOSA-N 1 2 280.371 1.528 20 30 CDEDLO COc1cc[nH+]cc1Cn1ccc(C)c(C#N)c1=O ZINC000341394313 357249978 /nfs/dbraw/zinc/24/99/78/357249978.db2.gz ORANWKLAJRHILJ-UHFFFAOYSA-N 1 2 255.277 1.480 20 30 CDEDLO CNC(=O)N[C@H]1CC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000334898099 357644553 /nfs/dbraw/zinc/64/45/53/357644553.db2.gz IIJCFPKXNLAYJR-NSHDSACASA-N 1 2 276.315 1.201 20 30 CDEDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000334898099 357644558 /nfs/dbraw/zinc/64/45/58/357644558.db2.gz IIJCFPKXNLAYJR-NSHDSACASA-N 1 2 276.315 1.201 20 30 CDEDLO N#Cc1ccccc1OCC[N@H+]1CCC[C@]12CCOC2=O ZINC000186748214 357684213 /nfs/dbraw/zinc/68/42/13/357684213.db2.gz YLOAIQFWUBTUJW-MRXNPFEDSA-N 1 2 286.331 1.719 20 30 CDEDLO N#Cc1ccccc1OCC[N@@H+]1CCC[C@]12CCOC2=O ZINC000186748214 357684220 /nfs/dbraw/zinc/68/42/20/357684220.db2.gz YLOAIQFWUBTUJW-MRXNPFEDSA-N 1 2 286.331 1.719 20 30 CDEDLO N#Cc1ccc(CS(=O)(=O)N2CCc3c[nH+]ccc32)cc1 ZINC000341485748 357772111 /nfs/dbraw/zinc/77/21/11/357772111.db2.gz IPIOBPVNCBNGTO-UHFFFAOYSA-N 1 2 299.355 1.846 20 30 CDEDLO N#Cc1ccncc1N1CC[NH+](Cc2cncc(F)c2)CC1 ZINC000566538996 358063302 /nfs/dbraw/zinc/06/33/02/358063302.db2.gz RFDOFCVPXYNHHY-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)[nH]1 ZINC000337590851 358090250 /nfs/dbraw/zinc/09/02/50/358090250.db2.gz MUKJCGJUOYTSAY-AWEZNQCLSA-N 1 2 281.319 1.068 20 30 CDEDLO COc1ccc(C[NH2+]C[C@@H](C)C#N)c(OC)c1OC ZINC000054179262 358702174 /nfs/dbraw/zinc/70/21/74/358702174.db2.gz ZWJQHSYJGVSBMP-JTQLQIEISA-N 1 2 264.325 1.962 20 30 CDEDLO COc1cc(OC)c(C[NH2+]C[C@@H](C)C#N)c(OC)c1 ZINC000054180538 358703334 /nfs/dbraw/zinc/70/33/34/358703334.db2.gz MHDFHXNWSVYFOB-JTQLQIEISA-N 1 2 264.325 1.962 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)nc1)C1CC1 ZINC000341700701 358790864 /nfs/dbraw/zinc/79/08/64/358790864.db2.gz AHJJUZCRMCLBOU-CYBMUJFWSA-N 1 2 281.319 1.568 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2C(N)=O)c(Cl)c1 ZINC000162862446 358907925 /nfs/dbraw/zinc/90/79/25/358907925.db2.gz QPBGVIITXURPQC-LBPRGKRZSA-N 1 2 263.728 1.661 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)c(Cl)c1 ZINC000162862446 358907927 /nfs/dbraw/zinc/90/79/27/358907927.db2.gz QPBGVIITXURPQC-LBPRGKRZSA-N 1 2 263.728 1.661 20 30 CDEDLO O=C(NC[C@H]1CCCCO1)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328599815 358966539 /nfs/dbraw/zinc/96/65/39/358966539.db2.gz CMHLIBGLYVPDFD-QWHCGFSZSA-N 1 2 292.383 1.833 20 30 CDEDLO CC1(C)C[N@H+](CCNc2cccnc2C#N)CCO1 ZINC000290497866 366531308 /nfs/dbraw/zinc/53/13/08/366531308.db2.gz DDLIFKKPBDTIGN-UHFFFAOYSA-N 1 2 260.341 1.476 20 30 CDEDLO CC1(C)C[N@@H+](CCNc2cccnc2C#N)CCO1 ZINC000290497866 366531312 /nfs/dbraw/zinc/53/13/12/366531312.db2.gz DDLIFKKPBDTIGN-UHFFFAOYSA-N 1 2 260.341 1.476 20 30 CDEDLO CCCSCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000346522994 359023192 /nfs/dbraw/zinc/02/31/92/359023192.db2.gz ZKGMVXXYWPVFEE-UHFFFAOYSA-N 1 2 299.440 1.204 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000346483935 359017256 /nfs/dbraw/zinc/01/72/56/359017256.db2.gz KUZXGBHYROKHBP-UPJWGTAASA-N 1 2 272.352 1.572 20 30 CDEDLO C[C@@H]([NH2+]Cc1nnnn1CC1CC1)c1ccc(C#N)cc1 ZINC000338359384 359117350 /nfs/dbraw/zinc/11/73/50/359117350.db2.gz IEONWAOVYVMBLA-LLVKDONJSA-N 1 2 282.351 1.806 20 30 CDEDLO CCn1c[nH+]cc1CNc1n[nH]c(C2CC2)c1C#N ZINC000569461765 359237492 /nfs/dbraw/zinc/23/74/92/359237492.db2.gz ZDAQRJNYZOZFBU-UHFFFAOYSA-N 1 2 256.313 1.409 20 30 CDEDLO C=C1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000264442846 359310190 /nfs/dbraw/zinc/31/01/90/359310190.db2.gz GJHKYWZZRAJVLP-UHFFFAOYSA-N 1 2 261.350 1.908 20 30 CDEDLO C#CC[N@H+]1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000274487885 359505271 /nfs/dbraw/zinc/50/52/71/359505271.db2.gz QKRQNRGNOZVVHR-UHFFFAOYSA-N 1 2 272.348 1.363 20 30 CDEDLO C#CC[N@@H+]1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000274487885 359505273 /nfs/dbraw/zinc/50/52/73/359505273.db2.gz QKRQNRGNOZVVHR-UHFFFAOYSA-N 1 2 272.348 1.363 20 30 CDEDLO C#CCn1ccc(CN(CC)CCC[NH+]2CCOCC2)n1 ZINC000279733234 359593838 /nfs/dbraw/zinc/59/38/38/359593838.db2.gz NNFRUAMCELRFOY-UHFFFAOYSA-N 1 2 290.411 1.061 20 30 CDEDLO CC#CC[N@H+](C)Cc1nc(-c2cc(C)ccn2)no1 ZINC000296871835 200021017 /nfs/dbraw/zinc/02/10/17/200021017.db2.gz ZTNNZKLAYUUKCG-UHFFFAOYSA-N 1 2 256.309 1.895 20 30 CDEDLO CC#CC[N@@H+](C)Cc1nc(-c2cc(C)ccn2)no1 ZINC000296871835 200021020 /nfs/dbraw/zinc/02/10/20/200021020.db2.gz ZTNNZKLAYUUKCG-UHFFFAOYSA-N 1 2 256.309 1.895 20 30 CDEDLO N#Cc1cccc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000542051513 359809649 /nfs/dbraw/zinc/80/96/49/359809649.db2.gz MHOYGUDUNRWMSY-UHFFFAOYSA-N 1 2 288.332 1.000 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)C(=O)OC ZINC000348358510 360024300 /nfs/dbraw/zinc/02/43/00/360024300.db2.gz LAIQFJDLLRJJAA-AGIUHOORSA-N 1 2 253.342 1.509 20 30 CDEDLO COCCN1CC[N@H+](CCCC(C)(C)C#N)CC1=O ZINC000091836764 360251713 /nfs/dbraw/zinc/25/17/13/360251713.db2.gz LWKNLBHRHCVBKB-UHFFFAOYSA-N 1 2 267.373 1.107 20 30 CDEDLO COCCN1CC[N@@H+](CCCC(C)(C)C#N)CC1=O ZINC000091836764 360251716 /nfs/dbraw/zinc/25/17/16/360251716.db2.gz LWKNLBHRHCVBKB-UHFFFAOYSA-N 1 2 267.373 1.107 20 30 CDEDLO COc1ccccc1[C@H]1CN(C(=O)[C@@H](C)C#N)CC[NH2+]1 ZINC000337579041 360255657 /nfs/dbraw/zinc/25/56/57/360255657.db2.gz HUGBZXBADAKDOC-WCQYABFASA-N 1 2 273.336 1.328 20 30 CDEDLO C=CCOc1ccc(C[N@@H+]2CCNC(=O)C2(C)C)cc1 ZINC000093084222 360289493 /nfs/dbraw/zinc/28/94/93/360289493.db2.gz XTKTWQXHMITJQQ-UHFFFAOYSA-N 1 2 274.364 1.962 20 30 CDEDLO C=CCOc1ccc(C[N@H+]2CCNC(=O)C2(C)C)cc1 ZINC000093084222 360289497 /nfs/dbraw/zinc/28/94/97/360289497.db2.gz XTKTWQXHMITJQQ-UHFFFAOYSA-N 1 2 274.364 1.962 20 30 CDEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COCc1ccco1 ZINC000428834239 360727027 /nfs/dbraw/zinc/72/70/27/360727027.db2.gz LWVPRYLRYPTRRD-ZDUSSCGKSA-N 1 2 264.325 1.559 20 30 CDEDLO C=CC[N@H+](CCC#N)C[C@H](O)COCc1ccco1 ZINC000428834239 360727029 /nfs/dbraw/zinc/72/70/29/360727029.db2.gz LWVPRYLRYPTRRD-ZDUSSCGKSA-N 1 2 264.325 1.559 20 30 CDEDLO C#CCOc1ccccc1C[NH2+]Cc1ccn(C)n1 ZINC000096593363 360868781 /nfs/dbraw/zinc/86/87/81/360868781.db2.gz OYYCALZBENSWQF-UHFFFAOYSA-N 1 2 255.321 1.722 20 30 CDEDLO CCOCCCNC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433296278 361228952 /nfs/dbraw/zinc/22/89/52/361228952.db2.gz RUDRCMOCHBXSLV-LBPRGKRZSA-N 1 2 269.389 1.399 20 30 CDEDLO CCOCCCNC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433296278 361228955 /nfs/dbraw/zinc/22/89/55/361228955.db2.gz RUDRCMOCHBXSLV-LBPRGKRZSA-N 1 2 269.389 1.399 20 30 CDEDLO COc1ccc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)cc1C#N ZINC000191718653 361269146 /nfs/dbraw/zinc/26/91/46/361269146.db2.gz ITPBNKRZWAZYLR-SMDDNHRTSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1ccc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)cc1C#N ZINC000191718653 361269150 /nfs/dbraw/zinc/26/91/50/361269150.db2.gz ITPBNKRZWAZYLR-SMDDNHRTSA-N 1 2 276.336 1.148 20 30 CDEDLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CCOCC2(CC2)C1 ZINC000329362544 361490529 /nfs/dbraw/zinc/49/05/29/361490529.db2.gz CWJXKUCSULOOID-UHFFFAOYSA-N 1 2 278.356 1.727 20 30 CDEDLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CCOCC2(CC2)C1 ZINC000329362544 361490532 /nfs/dbraw/zinc/49/05/32/361490532.db2.gz CWJXKUCSULOOID-UHFFFAOYSA-N 1 2 278.356 1.727 20 30 CDEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCc1ccncc1C ZINC000329368902 361491716 /nfs/dbraw/zinc/49/17/16/361491716.db2.gz JIKQNLJSPDHABV-CQSZACIVSA-N 1 2 277.368 1.610 20 30 CDEDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCc1ccncc1C ZINC000329368902 361491718 /nfs/dbraw/zinc/49/17/18/361491718.db2.gz JIKQNLJSPDHABV-CQSZACIVSA-N 1 2 277.368 1.610 20 30 CDEDLO C[C@@H]1[C@H](C)OCCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329544359 361542433 /nfs/dbraw/zinc/54/24/33/361542433.db2.gz FYFRKSPMRICTKP-OUAUKWLOSA-N 1 2 278.356 1.290 20 30 CDEDLO C[C@@H]1[C@H](C)OCCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329544359 361542438 /nfs/dbraw/zinc/54/24/38/361542438.db2.gz FYFRKSPMRICTKP-OUAUKWLOSA-N 1 2 278.356 1.290 20 30 CDEDLO C[C@@H]1C[C@H](CCNC(=O)NC[C@H]2C[N@H+](C)CCO2)CCO1 ZINC000329677179 361702555 /nfs/dbraw/zinc/70/25/55/361702555.db2.gz WNQPJFMKFGOEDU-MCIONIFRSA-N 1 2 299.415 1.026 20 30 CDEDLO C[C@@H]1C[C@H](CCNC(=O)NC[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC000329677179 361702557 /nfs/dbraw/zinc/70/25/57/361702557.db2.gz WNQPJFMKFGOEDU-MCIONIFRSA-N 1 2 299.415 1.026 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)cc1C#N ZINC000249547594 364860941 /nfs/dbraw/zinc/86/09/41/364860941.db2.gz GSELVPXWDOMNSW-SMDDNHRTSA-N 1 2 287.363 1.653 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)cc1C#N ZINC000249547594 364860946 /nfs/dbraw/zinc/86/09/46/364860946.db2.gz GSELVPXWDOMNSW-SMDDNHRTSA-N 1 2 287.363 1.653 20 30 CDEDLO CCN1CC[N@H+](CCOc2ccc(C#N)cc2)C[C@@H]1C ZINC000111237386 365055910 /nfs/dbraw/zinc/05/59/10/365055910.db2.gz ILMQXJHHCDWWQL-AWEZNQCLSA-N 1 2 273.380 1.963 20 30 CDEDLO CCN1CC[N@@H+](CCOc2ccc(C#N)cc2)C[C@@H]1C ZINC000111237386 365055913 /nfs/dbraw/zinc/05/59/13/365055913.db2.gz ILMQXJHHCDWWQL-AWEZNQCLSA-N 1 2 273.380 1.963 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@H](CC(C)C)OC)nn1 ZINC000641180591 365173028 /nfs/dbraw/zinc/17/30/28/365173028.db2.gz ZIBXDAITXYLIJA-AWEZNQCLSA-N 1 2 264.373 1.452 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2Cc3ccccc32)nn1 ZINC000641234699 365249796 /nfs/dbraw/zinc/24/97/96/365249796.db2.gz IKRGYLOWLLYXCB-AWEZNQCLSA-N 1 2 266.348 1.731 20 30 CDEDLO N#Cc1ccc(CCC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000548311319 366887097 /nfs/dbraw/zinc/88/70/97/366887097.db2.gz DSBDJEIUKIISNO-OAHLLOKOSA-N 1 2 294.358 1.819 20 30 CDEDLO Cc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)nn1 ZINC000414375752 241174876 /nfs/dbraw/zinc/17/48/76/241174876.db2.gz ZQJVYMSXTJXJCU-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H](C)C#N ZINC000357832831 367242071 /nfs/dbraw/zinc/24/20/71/367242071.db2.gz QVHFMILNRUBHKH-SNVBAGLBSA-N 1 2 256.309 1.621 20 30 CDEDLO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ncc[nH]3)C2=O)cc1 ZINC000272523469 367749698 /nfs/dbraw/zinc/74/96/98/367749698.db2.gz JCQYIDGYWGXOTO-CQSZACIVSA-N 1 2 295.346 1.567 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C3CC3)no2)CC1 ZINC000282393245 367864405 /nfs/dbraw/zinc/86/44/05/367864405.db2.gz JETMOSJJRDIPIF-UHFFFAOYSA-N 1 2 273.336 1.333 20 30 CDEDLO Cn1cc(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)cc1C#N ZINC000294069393 370928407 /nfs/dbraw/zinc/92/84/07/370928407.db2.gz YHWRYJXLSUBFBS-GFCCVEGCSA-N 1 2 295.408 1.153 20 30 CDEDLO Cn1cc(C[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)cc1C#N ZINC000294069393 370928411 /nfs/dbraw/zinc/92/84/11/370928411.db2.gz YHWRYJXLSUBFBS-GFCCVEGCSA-N 1 2 295.408 1.153 20 30 CDEDLO COC(=O)[C@H]([NH2+]CCCOc1cccc(C#N)c1)C1CC1 ZINC000276271804 193266561 /nfs/dbraw/zinc/26/65/61/193266561.db2.gz CXBOIPHQJSBMRA-OAHLLOKOSA-N 1 2 288.347 1.868 20 30 CDEDLO C#CCOc1ccc(C[NH2+][C@H](C(=O)OC)C2CC2)cc1 ZINC000276519176 193365445 /nfs/dbraw/zinc/36/54/45/193365445.db2.gz VAYGNFPLVFOBTD-HNNXBMFYSA-N 1 2 273.332 1.740 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000573415715 371533836 /nfs/dbraw/zinc/53/38/36/371533836.db2.gz HIZXZQFNORXOMN-NEPJUHHUSA-N 1 2 276.340 1.069 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000573415715 371533845 /nfs/dbraw/zinc/53/38/45/371533845.db2.gz HIZXZQFNORXOMN-NEPJUHHUSA-N 1 2 276.340 1.069 20 30 CDEDLO Cn1cnnc1C[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000347668594 372116481 /nfs/dbraw/zinc/11/64/81/372116481.db2.gz RIZTYDFIGJNOOT-UHFFFAOYSA-N 1 2 255.325 1.513 20 30 CDEDLO Cn1cnnc1C[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000347668594 372116487 /nfs/dbraw/zinc/11/64/87/372116487.db2.gz RIZTYDFIGJNOOT-UHFFFAOYSA-N 1 2 255.325 1.513 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000185147602 372658978 /nfs/dbraw/zinc/65/89/78/372658978.db2.gz JHONTDFSAVGSRR-SECBINFHSA-N 1 2 266.345 1.320 20 30 CDEDLO Cc1cc(N2CC[C@H](N3CCCC3=O)C2)c(C#N)c[nH+]1 ZINC000333424330 205309189 /nfs/dbraw/zinc/30/91/89/205309189.db2.gz JTRQRANNGBEURK-ZDUSSCGKSA-N 1 2 270.336 1.463 20 30 CDEDLO C=CCC1(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCC1 ZINC000190917349 373423039 /nfs/dbraw/zinc/42/30/39/373423039.db2.gz WIYAJIMENLOSCD-UHFFFAOYSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CCC1(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CCC1 ZINC000190917349 373423044 /nfs/dbraw/zinc/42/30/44/373423044.db2.gz WIYAJIMENLOSCD-UHFFFAOYSA-N 1 2 280.412 1.960 20 30 CDEDLO Cc1ccnc(N2CCN(c3cc[nH+]c(C)n3)CC2)c1C#N ZINC000273442304 373815559 /nfs/dbraw/zinc/81/55/59/373815559.db2.gz BSQQHFUVYZPDHY-UHFFFAOYSA-N 1 2 294.362 1.687 20 30 CDEDLO Cc1nc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000051591757 373940475 /nfs/dbraw/zinc/94/04/75/373940475.db2.gz ARMGDKUICVGKKH-UHFFFAOYSA-N 1 2 297.362 1.568 20 30 CDEDLO CC(C)[C@H]1C(=O)NCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000104064084 374174577 /nfs/dbraw/zinc/17/45/77/374174577.db2.gz VKOWZLBOHQLGNG-HNNXBMFYSA-N 1 2 287.363 1.393 20 30 CDEDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000104064084 374174580 /nfs/dbraw/zinc/17/45/80/374174580.db2.gz VKOWZLBOHQLGNG-HNNXBMFYSA-N 1 2 287.363 1.393 20 30 CDEDLO CO[C@@H]1CCC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000076345802 374220601 /nfs/dbraw/zinc/22/06/01/374220601.db2.gz OHLHQNQQIFJFAT-GFCCVEGCSA-N 1 2 291.351 1.817 20 30 CDEDLO CO[C@@H]1CCC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000076345802 374220606 /nfs/dbraw/zinc/22/06/06/374220606.db2.gz OHLHQNQQIFJFAT-GFCCVEGCSA-N 1 2 291.351 1.817 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCCN(C(N)=O)CC2)c1F ZINC000334143847 206065989 /nfs/dbraw/zinc/06/59/89/206065989.db2.gz VAJBFYHSBUDTPW-UHFFFAOYSA-N 1 2 276.315 1.284 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCCN(C(N)=O)CC2)c1F ZINC000334143847 206065994 /nfs/dbraw/zinc/06/59/94/206065994.db2.gz VAJBFYHSBUDTPW-UHFFFAOYSA-N 1 2 276.315 1.284 20 30 CDEDLO C[N@H+](CCC(F)(F)F)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115537490 374412313 /nfs/dbraw/zinc/41/23/13/374412313.db2.gz ZNNIGCBHNOCYNP-NSHDSACASA-N 1 2 285.269 1.969 20 30 CDEDLO C[N@@H+](CCC(F)(F)F)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115537490 374412321 /nfs/dbraw/zinc/41/23/21/374412321.db2.gz ZNNIGCBHNOCYNP-NSHDSACASA-N 1 2 285.269 1.969 20 30 CDEDLO N#CCc1ccc(C[N@@H+]2CCc3nn[nH]c3C2)cc1 ZINC000429312892 374536917 /nfs/dbraw/zinc/53/69/17/374536917.db2.gz AHMJTLGWDXVEHR-UHFFFAOYSA-N 1 2 253.309 1.429 20 30 CDEDLO N#CCc1ccc(C[N@H+]2CCc3nn[nH]c3C2)cc1 ZINC000429312892 374536927 /nfs/dbraw/zinc/53/69/27/374536927.db2.gz AHMJTLGWDXVEHR-UHFFFAOYSA-N 1 2 253.309 1.429 20 30 CDEDLO C[C@H](CS(C)(=O)=O)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000069867541 374624158 /nfs/dbraw/zinc/62/41/58/374624158.db2.gz DCKFXHKLOZQHBF-GFCCVEGCSA-N 1 2 296.392 1.302 20 30 CDEDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000069867541 374624162 /nfs/dbraw/zinc/62/41/62/374624162.db2.gz DCKFXHKLOZQHBF-GFCCVEGCSA-N 1 2 296.392 1.302 20 30 CDEDLO COCC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000277658861 374799102 /nfs/dbraw/zinc/79/91/02/374799102.db2.gz DOBGIIBONLRAGK-UHFFFAOYSA-N 1 2 279.771 1.980 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000280666765 375010887 /nfs/dbraw/zinc/01/08/87/375010887.db2.gz PLVDAPBALGICEI-GHMZBOCLSA-N 1 2 291.351 1.299 20 30 CDEDLO Cc1[nH][nH]c(=NC(=O)C2C[NH+](C3CCCCC3)C2)c1C#N ZINC000334060378 375111612 /nfs/dbraw/zinc/11/16/12/375111612.db2.gz YGCNCAZHUPZGSR-UHFFFAOYSA-N 1 2 287.367 1.215 20 30 CDEDLO CN1CC[N@H+](C)[C@@H](CNc2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC000228241538 375725593 /nfs/dbraw/zinc/72/55/93/375725593.db2.gz MAXIRYQGSCCPED-ZDUSSCGKSA-N 1 2 289.339 1.124 20 30 CDEDLO CN1CC[N@@H+](C)[C@@H](CNc2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC000228241538 375725598 /nfs/dbraw/zinc/72/55/98/375725598.db2.gz MAXIRYQGSCCPED-ZDUSSCGKSA-N 1 2 289.339 1.124 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@]2(C)CCOC2)C1 ZINC000328867707 375992132 /nfs/dbraw/zinc/99/21/32/375992132.db2.gz OKKBPOYDHFSMFF-DOMZBBRYSA-N 1 2 292.383 1.550 20 30 CDEDLO O=C(C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)NC1CCCC1 ZINC000328942942 376015424 /nfs/dbraw/zinc/01/54/24/376015424.db2.gz FRGBUBRVUCRWGY-ZNMIVQPWSA-N 1 2 296.411 1.747 20 30 CDEDLO O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)NC1CCCC1 ZINC000328942942 376015432 /nfs/dbraw/zinc/01/54/32/376015432.db2.gz FRGBUBRVUCRWGY-ZNMIVQPWSA-N 1 2 296.411 1.747 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420944841 376485673 /nfs/dbraw/zinc/48/56/73/376485673.db2.gz SKWRJQDVKKTSMN-UONOGXRCSA-N 1 2 298.427 1.271 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420944841 376485681 /nfs/dbraw/zinc/48/56/81/376485681.db2.gz SKWRJQDVKKTSMN-UONOGXRCSA-N 1 2 298.427 1.271 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246415442 376774243 /nfs/dbraw/zinc/77/42/43/376774243.db2.gz JNXWJUMFCOSJCG-PBHICJAKSA-N 1 2 288.391 1.925 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246415442 376774252 /nfs/dbraw/zinc/77/42/52/376774252.db2.gz JNXWJUMFCOSJCG-PBHICJAKSA-N 1 2 288.391 1.925 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000129997918 377497786 /nfs/dbraw/zinc/49/77/86/377497786.db2.gz DBNNYHBVFBXYIQ-CABCVRRESA-N 1 2 274.364 1.487 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000129997918 377497795 /nfs/dbraw/zinc/49/77/95/377497795.db2.gz DBNNYHBVFBXYIQ-CABCVRRESA-N 1 2 274.364 1.487 20 30 CDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000572332135 377886242 /nfs/dbraw/zinc/88/62/42/377886242.db2.gz XVYATNISILCXAF-DOMZBBRYSA-N 1 2 289.404 1.942 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](CCCC)C(=O)OC)C1=O ZINC000281498638 378006572 /nfs/dbraw/zinc/00/65/72/378006572.db2.gz XYDHECRBZJBMCE-STQMWFEESA-N 1 2 282.384 1.437 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](CCCC)C(=O)OC)C1=O ZINC000281498638 378006578 /nfs/dbraw/zinc/00/65/78/378006578.db2.gz XYDHECRBZJBMCE-STQMWFEESA-N 1 2 282.384 1.437 20 30 CDEDLO C#CCN1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000280697172 377971094 /nfs/dbraw/zinc/97/10/94/377971094.db2.gz BWSIPCJKFYPWLX-CVEARBPZSA-N 1 2 256.349 1.205 20 30 CDEDLO C#CCN1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000280697172 377971098 /nfs/dbraw/zinc/97/10/98/377971098.db2.gz BWSIPCJKFYPWLX-CVEARBPZSA-N 1 2 256.349 1.205 20 30 CDEDLO N#C[C@H]1CC[C@H](Nc2cccc(C[N@@H+]3CCNC(=O)C3)c2)C1 ZINC000563845531 378282807 /nfs/dbraw/zinc/28/28/07/378282807.db2.gz NSBULAAUCGRAHX-BBRMVZONSA-N 1 2 298.390 1.723 20 30 CDEDLO N#C[C@H]1CC[C@H](Nc2cccc(C[N@H+]3CCNC(=O)C3)c2)C1 ZINC000563845531 378282809 /nfs/dbraw/zinc/28/28/09/378282809.db2.gz NSBULAAUCGRAHX-BBRMVZONSA-N 1 2 298.390 1.723 20 30 CDEDLO C#CC[N@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000064353355 378391047 /nfs/dbraw/zinc/39/10/47/378391047.db2.gz YVIRNKLKVSSFJP-UHFFFAOYSA-N 1 2 278.377 1.016 20 30 CDEDLO C#CC[N@@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000064353355 378391055 /nfs/dbraw/zinc/39/10/55/378391055.db2.gz YVIRNKLKVSSFJP-UHFFFAOYSA-N 1 2 278.377 1.016 20 30 CDEDLO C=CCCOCCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000293172292 378543959 /nfs/dbraw/zinc/54/39/59/378543959.db2.gz XQZBSJDFHQRXHU-UHFFFAOYSA-N 1 2 264.329 1.001 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1ccnn1C1CCCC1 ZINC000293332088 378559100 /nfs/dbraw/zinc/55/91/00/378559100.db2.gz YENHNECZGUVQDC-UHFFFAOYSA-N 1 2 274.368 1.892 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccnn1C1CCCC1 ZINC000293332088 378559104 /nfs/dbraw/zinc/55/91/04/378559104.db2.gz YENHNECZGUVQDC-UHFFFAOYSA-N 1 2 274.368 1.892 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCCOc1cccc(C)c1 ZINC000293081881 378536765 /nfs/dbraw/zinc/53/67/65/378536765.db2.gz JSRMQQAEAPTONC-UHFFFAOYSA-N 1 2 274.364 1.445 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCCOc1cccc(C)c1 ZINC000293081881 378536768 /nfs/dbraw/zinc/53/67/68/378536768.db2.gz JSRMQQAEAPTONC-UHFFFAOYSA-N 1 2 274.364 1.445 20 30 CDEDLO O=C(NCC#Cc1ccccc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000343362771 378857816 /nfs/dbraw/zinc/85/78/16/378857816.db2.gz ZXXATLSWNCLBTL-HNNXBMFYSA-N 1 2 279.343 1.613 20 30 CDEDLO CC[N@H+](CCC#N)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343529683 378922105 /nfs/dbraw/zinc/92/21/05/378922105.db2.gz CBFFGBGBVBLHSA-GFCCVEGCSA-N 1 2 293.323 1.570 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343529683 378922111 /nfs/dbraw/zinc/92/21/11/378922111.db2.gz CBFFGBGBVBLHSA-GFCCVEGCSA-N 1 2 293.323 1.570 20 30 CDEDLO N#Cc1nnc2ccccc2c1NCCn1cc[nH+]c1 ZINC000041532019 379391864 /nfs/dbraw/zinc/39/18/64/379391864.db2.gz YFZCYWSSCMISIF-UHFFFAOYSA-N 1 2 264.292 1.810 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000278983277 194240390 /nfs/dbraw/zinc/24/03/90/194240390.db2.gz YRFDIHKTNGBQLC-HNNXBMFYSA-N 1 2 273.336 1.586 20 30 CDEDLO C#Cc1ccc(CN2CC[NH+](C(C)(C)C(N)=O)CC2)cc1 ZINC000289010871 197212361 /nfs/dbraw/zinc/21/23/61/197212361.db2.gz ABSUKYZAANYFFC-UHFFFAOYSA-N 1 2 285.391 1.049 20 30 CDEDLO C[C@H]1CCN(C(=O)c2cc(C#N)ccn2)C[C@@H]1n1cc[nH+]c1 ZINC000288256614 197037595 /nfs/dbraw/zinc/03/75/95/197037595.db2.gz FPYQIZAWZJIKQA-WFASDCNBSA-N 1 2 295.346 1.873 20 30 CDEDLO CCN(C(=O)N(CCC#N)CC[NH+]1CCOCC1)C(C)C ZINC000162715722 262377548 /nfs/dbraw/zinc/37/75/48/262377548.db2.gz HUNOJAJXFIJPLI-UHFFFAOYSA-N 1 2 296.415 1.385 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](C)OC ZINC000285903840 390186277 /nfs/dbraw/zinc/18/62/77/390186277.db2.gz ZXJTYOXUOYFUSF-SMDDNHRTSA-N 1 2 276.336 1.739 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](C)OC ZINC000285903840 390186280 /nfs/dbraw/zinc/18/62/80/390186280.db2.gz ZXJTYOXUOYFUSF-SMDDNHRTSA-N 1 2 276.336 1.739 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](CO)[C@H]2C)c(C#N)c1C ZINC000395190679 390824006 /nfs/dbraw/zinc/82/40/06/390824006.db2.gz IFHFYPLOJLHCBE-PWSUYJOCSA-N 1 2 291.351 1.409 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](CO)[C@H]2C)c(C#N)c1C ZINC000395190679 390824008 /nfs/dbraw/zinc/82/40/08/390824008.db2.gz IFHFYPLOJLHCBE-PWSUYJOCSA-N 1 2 291.351 1.409 20 30 CDEDLO CCC[N@@H+](CC#N)CCC(=O)NC(=O)Nc1ccccc1 ZINC000118004567 390830398 /nfs/dbraw/zinc/83/03/98/390830398.db2.gz KDEQQPPKFHRKCC-UHFFFAOYSA-N 1 2 288.351 1.960 20 30 CDEDLO CCC[N@H+](CC#N)CCC(=O)NC(=O)Nc1ccccc1 ZINC000118004567 390830401 /nfs/dbraw/zinc/83/04/01/390830401.db2.gz KDEQQPPKFHRKCC-UHFFFAOYSA-N 1 2 288.351 1.960 20 30 CDEDLO CS(=O)(=O)N1CC[C@H](C/[NH+]=C/c2ccccc2O)C1 ZINC000133095761 390934695 /nfs/dbraw/zinc/93/46/95/390934695.db2.gz LBYJWQUPRDITJB-ZECSTPGPSA-N 1 2 282.365 1.093 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000367587279 390947285 /nfs/dbraw/zinc/94/72/85/390947285.db2.gz REZPQHIYQMRUJX-LSDHHAIUSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000367587279 390947286 /nfs/dbraw/zinc/94/72/86/390947286.db2.gz REZPQHIYQMRUJX-LSDHHAIUSA-N 1 2 296.411 1.291 20 30 CDEDLO Cc1sc(NC(=O)CO[NH+]=C(N)CCO)c(C)c1C ZINC000121381242 390885103 /nfs/dbraw/zinc/88/51/03/390885103.db2.gz BFCKXTNXCKHHEK-UHFFFAOYSA-N 1 2 285.369 1.283 20 30 CDEDLO CN(C[C@@H]1CCCOC1)C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329611543 391031145 /nfs/dbraw/zinc/03/11/45/391031145.db2.gz OCRMAEGEBXNWHL-RYUDHWBXSA-N 1 2 292.383 1.539 20 30 CDEDLO CN(C[C@@H]1CCCOC1)C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329611543 391031148 /nfs/dbraw/zinc/03/11/48/391031148.db2.gz OCRMAEGEBXNWHL-RYUDHWBXSA-N 1 2 292.383 1.539 20 30 CDEDLO CCOC(=O)c1n[nH]c(C2CC[NH+](CCC#N)CC2)n1 ZINC000373114551 391106060 /nfs/dbraw/zinc/10/60/60/391106060.db2.gz AXNMSFFKBWYAEH-UHFFFAOYSA-N 1 2 277.328 1.074 20 30 CDEDLO C=C(C)C[N@@H+](C)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000351105946 391040095 /nfs/dbraw/zinc/04/00/95/391040095.db2.gz WMHJLYVIKMPTHP-UHFFFAOYSA-N 1 2 276.296 1.776 20 30 CDEDLO C=C(C)C[N@H+](C)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000351105946 391040100 /nfs/dbraw/zinc/04/01/00/391040100.db2.gz WMHJLYVIKMPTHP-UHFFFAOYSA-N 1 2 276.296 1.776 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+](C)Cc1nc([C@@H](C)OCC)no1 ZINC000351269201 391060894 /nfs/dbraw/zinc/06/08/94/391060894.db2.gz LMEINCZGTYXAHJ-NEPJUHHUSA-N 1 2 283.372 1.926 20 30 CDEDLO C=CCC[C@H](O)C[N@H+](C)Cc1nc([C@@H](C)OCC)no1 ZINC000351269201 391060900 /nfs/dbraw/zinc/06/09/00/391060900.db2.gz LMEINCZGTYXAHJ-NEPJUHHUSA-N 1 2 283.372 1.926 20 30 CDEDLO CCCCNC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352464472 391148394 /nfs/dbraw/zinc/14/83/94/391148394.db2.gz ULNYJNSQZYDWLU-LLVKDONJSA-N 1 2 255.337 1.619 20 30 CDEDLO COc1cccc(Cl)c1C[NH+]1CCN(CC#N)CC1 ZINC000092936164 391125493 /nfs/dbraw/zinc/12/54/93/391125493.db2.gz UYTHZCHSDQEVMB-UHFFFAOYSA-N 1 2 279.771 1.990 20 30 CDEDLO Cc1nnc([C@@H](C)O[NH+]=C(N)[C@@H](C)OCC(C)C)o1 ZINC000266209876 391172025 /nfs/dbraw/zinc/17/20/25/391172025.db2.gz OASUTJCWGODJHV-RKDXNWHRSA-N 1 2 270.333 1.789 20 30 CDEDLO COC[C@@H](C)O[NH+]=C(N)Cc1ccc(OC)cc1 ZINC000177671717 391173938 /nfs/dbraw/zinc/17/39/38/391173938.db2.gz WVIVTZAQQVRGHD-SNVBAGLBSA-N 1 2 252.314 1.561 20 30 CDEDLO C#CC[N@@H+](C[C@@H]1CCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000491711629 391230106 /nfs/dbraw/zinc/23/01/06/391230106.db2.gz WVPNXCDIUBCCEJ-NWDGAFQWSA-N 1 2 291.363 1.544 20 30 CDEDLO C#CC[N@H+](C[C@@H]1CCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000491711629 391230109 /nfs/dbraw/zinc/23/01/09/391230109.db2.gz WVPNXCDIUBCCEJ-NWDGAFQWSA-N 1 2 291.363 1.544 20 30 CDEDLO C#C[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)C(C)C ZINC000376566591 391240865 /nfs/dbraw/zinc/24/08/65/391240865.db2.gz VMGVLRAKNRAVOV-KKUMJFAQSA-N 1 2 293.411 1.149 20 30 CDEDLO C=CCOCC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1C ZINC000339088034 391250178 /nfs/dbraw/zinc/25/01/78/391250178.db2.gz KMALNAZDXWJBSB-OAHLLOKOSA-N 1 2 274.364 1.671 20 30 CDEDLO C=CCOCC[N@H+]1CCNC(=O)[C@H]1c1ccccc1C ZINC000339088034 391250180 /nfs/dbraw/zinc/25/01/80/391250180.db2.gz KMALNAZDXWJBSB-OAHLLOKOSA-N 1 2 274.364 1.671 20 30 CDEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CC(C)(OC)C1 ZINC000353054388 391342622 /nfs/dbraw/zinc/34/26/22/391342622.db2.gz WXSBQIVRSYQCNY-HNNXBMFYSA-N 1 2 291.391 1.876 20 30 CDEDLO C=CCN(CCc1ccco1)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000353119880 391342755 /nfs/dbraw/zinc/34/27/55/391342755.db2.gz XZWVJBMUJOPPRU-AWEZNQCLSA-N 1 2 292.379 1.557 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347397247 391394266 /nfs/dbraw/zinc/39/42/66/391394266.db2.gz YZRXOOPMISGCCK-BNOWGMLFSA-N 1 2 269.364 1.863 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(F)C1 ZINC000347397247 391394271 /nfs/dbraw/zinc/39/42/71/391394271.db2.gz YZRXOOPMISGCCK-BNOWGMLFSA-N 1 2 269.364 1.863 20 30 CDEDLO Cc1ccc(C(=O)N[C@H](CO)C[NH+]2CCOCC2)cc1F ZINC000330453053 391423820 /nfs/dbraw/zinc/42/38/20/391423820.db2.gz LAOSSMKWKLHWNY-ZDUSSCGKSA-N 1 2 296.342 1.132 20 30 CDEDLO COCCn1cc(C[NH+]2CCC(F)(C#N)CC2)cn1 ZINC000348714715 391451357 /nfs/dbraw/zinc/45/13/57/391451357.db2.gz OGIHFQOSEUBWID-UHFFFAOYSA-N 1 2 266.320 1.357 20 30 CDEDLO CCN1CC[N@H+](Cc2ccc(CC#N)cc2)CC1=O ZINC000348809926 391455523 /nfs/dbraw/zinc/45/55/23/391455523.db2.gz PWWIFJCQTBUIRO-UHFFFAOYSA-N 1 2 257.337 1.417 20 30 CDEDLO CCN1CC[N@@H+](Cc2ccc(CC#N)cc2)CC1=O ZINC000348809926 391455527 /nfs/dbraw/zinc/45/55/27/391455527.db2.gz PWWIFJCQTBUIRO-UHFFFAOYSA-N 1 2 257.337 1.417 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCOCC12CCCC2 ZINC000367170664 391417120 /nfs/dbraw/zinc/41/71/20/391417120.db2.gz JWUUSDLWBRHRTK-AWEZNQCLSA-N 1 2 293.411 1.640 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCOCC12CCCC2 ZINC000367170664 391417123 /nfs/dbraw/zinc/41/71/23/391417123.db2.gz JWUUSDLWBRHRTK-AWEZNQCLSA-N 1 2 293.411 1.640 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000349640103 391567952 /nfs/dbraw/zinc/56/79/52/391567952.db2.gz BKSZVAAIUHHDJX-ZBFHGGJFSA-N 1 2 295.427 1.789 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H]1CCCC1(C)C)C(=O)OC ZINC000361105452 391681992 /nfs/dbraw/zinc/68/19/92/391681992.db2.gz BSYSIMJLYALJTP-RYUDHWBXSA-N 1 2 255.358 1.899 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H]1CCc2ccccc2C1)C(=O)OC ZINC000361114785 391683837 /nfs/dbraw/zinc/68/38/37/391683837.db2.gz UROBIVYHGNEMGK-HOTGVXAUSA-N 1 2 289.375 1.878 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000192230835 130399410 /nfs/dbraw/zinc/39/94/10/130399410.db2.gz LOBMHFXHYJRHIO-UHFFFAOYSA-N 1 2 259.309 1.149 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000192230835 130399414 /nfs/dbraw/zinc/39/94/14/130399414.db2.gz LOBMHFXHYJRHIO-UHFFFAOYSA-N 1 2 259.309 1.149 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000590098420 391832795 /nfs/dbraw/zinc/83/27/95/391832795.db2.gz UCQXNTABEKYVTA-HNNXBMFYSA-N 1 2 288.351 1.925 20 30 CDEDLO N#CCN1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000361861162 392665633 /nfs/dbraw/zinc/66/56/33/392665633.db2.gz WLLCDOIBAYKADG-UHFFFAOYSA-N 1 2 258.300 1.339 20 30 CDEDLO C=C[C@@H](O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000646756184 392737814 /nfs/dbraw/zinc/73/78/14/392737814.db2.gz FHDRNAXTBYQFLA-CYBMUJFWSA-N 1 2 275.283 1.175 20 30 CDEDLO CCNC(=O)C1(CNc2cc(C)[nH+]cc2C#N)CCC1 ZINC000425259594 393006847 /nfs/dbraw/zinc/00/68/47/393006847.db2.gz MPWYTFUEDXLOPQ-UHFFFAOYSA-N 1 2 272.352 1.402 20 30 CDEDLO Cc1cc(NCC2(S(C)(=O)=O)CCC2)c(C#N)c[nH+]1 ZINC000425264163 393008517 /nfs/dbraw/zinc/00/85/17/393008517.db2.gz WAZCDFMFAGPTAS-UHFFFAOYSA-N 1 2 279.365 1.063 20 30 CDEDLO CO[C@H]1COCC[C@H]1CNc1cc(C)[nH+]cc1C#N ZINC000425268764 393010403 /nfs/dbraw/zinc/01/04/03/393010403.db2.gz PRCWLZDPEHXSMP-FZMZJTMJSA-N 1 2 261.325 1.147 20 30 CDEDLO COc1ccncc1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000431113671 393107918 /nfs/dbraw/zinc/10/79/18/393107918.db2.gz IIRFYRVCNXVZGD-OAHLLOKOSA-N 1 2 296.330 1.278 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2ccc(C#N)c(C)c2)CCO1 ZINC000488413260 398126427 /nfs/dbraw/zinc/12/64/27/398126427.db2.gz YUZGALZDHDQCLD-OAHLLOKOSA-N 1 2 260.337 1.714 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2ccc(C#N)c(C)c2)CCO1 ZINC000488413260 398126431 /nfs/dbraw/zinc/12/64/31/398126431.db2.gz YUZGALZDHDQCLD-OAHLLOKOSA-N 1 2 260.337 1.714 20 30 CDEDLO C=CCCn1cc(CN2CCn3c[nH+]cc3C2)nn1 ZINC000660583053 413265277 /nfs/dbraw/zinc/26/52/77/413265277.db2.gz FQCABAPEXOUIRS-UHFFFAOYSA-N 1 2 258.329 1.067 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000658333719 413375862 /nfs/dbraw/zinc/37/58/62/413375862.db2.gz RKJGWAUUGLGNBN-VXGBXAGGSA-N 1 2 258.325 1.465 20 30 CDEDLO N#Cc1cccc(/C=C/C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000070990997 176019486 /nfs/dbraw/zinc/01/94/86/176019486.db2.gz UYGFRCZBHAKTRC-SNAWJCMRSA-N 1 2 252.277 1.611 20 30 CDEDLO C[C@@H]1CN(CC[N@H+](C)CCC(C)(C)C#N)C[C@@H](C)O1 ZINC000347122819 226033853 /nfs/dbraw/zinc/03/38/53/226033853.db2.gz HJQLQGRSCYITBP-ZIAGYGMSSA-N 1 2 267.417 1.967 20 30 CDEDLO C[C@@H]1CN(CC[N@@H+](C)CCC(C)(C)C#N)C[C@@H](C)O1 ZINC000347122819 226033856 /nfs/dbraw/zinc/03/38/56/226033856.db2.gz HJQLQGRSCYITBP-ZIAGYGMSSA-N 1 2 267.417 1.967 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)CCS1 ZINC000171699272 335074889 /nfs/dbraw/zinc/07/48/89/335074889.db2.gz MGEUGDOHOLTWED-GFCCVEGCSA-N 1 2 281.425 1.766 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)CCS1 ZINC000171699272 335074891 /nfs/dbraw/zinc/07/48/91/335074891.db2.gz MGEUGDOHOLTWED-GFCCVEGCSA-N 1 2 281.425 1.766 20 30 CDEDLO C[C@]1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCCOC1 ZINC000329138038 227322444 /nfs/dbraw/zinc/32/24/44/227322444.db2.gz DMFDVVNJLBUYNA-FZMZJTMJSA-N 1 2 263.341 1.971 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC000329168205 227337027 /nfs/dbraw/zinc/33/70/27/227337027.db2.gz IQNFRSHUBWGKLM-NSHDSACASA-N 1 2 278.356 1.335 20 30 CDEDLO Cc1ncoc1C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000329995142 228009941 /nfs/dbraw/zinc/00/99/41/228009941.db2.gz MWZHYPILOKKAKO-GFCCVEGCSA-N 1 2 281.356 1.644 20 30 CDEDLO C[C@H](NC(=O)N1CCC(C#N)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000105298213 261357602 /nfs/dbraw/zinc/35/76/02/261357602.db2.gz MVHINBUCTIISQA-STQMWFEESA-N 1 2 294.399 1.041 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2Cc3cccc(F)c3C2)C1=O ZINC000335154132 262366210 /nfs/dbraw/zinc/36/62/10/262366210.db2.gz FZEATZJEPPBAPI-CQSZACIVSA-N 1 2 260.312 1.928 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2Cc3cccc(F)c3C2)C1=O ZINC000335154132 262366212 /nfs/dbraw/zinc/36/62/12/262366212.db2.gz FZEATZJEPPBAPI-CQSZACIVSA-N 1 2 260.312 1.928 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000280363232 263060613 /nfs/dbraw/zinc/06/06/13/263060613.db2.gz LJNUBLVFXFCCPM-CQSZACIVSA-N 1 2 293.330 1.588 20 30 CDEDLO Oc1ccc(/C=[NH+]/C[C@@H]2CCSC2)c(O)c1O ZINC000280661788 263063687 /nfs/dbraw/zinc/06/36/87/263063687.db2.gz ONSSUGFYENQICR-UVDXRHSJSA-N 1 2 253.323 1.975 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CC[NH+](CCOCC)CC1 ZINC000340155308 263079977 /nfs/dbraw/zinc/07/99/77/263079977.db2.gz PRRPBLWPMHPTQI-UHFFFAOYSA-N 1 2 268.401 1.769 20 30 CDEDLO Cc1ccccc1NC(=O)[C@@H](C)O[NH+]=C(N)[C@H]1CCCO1 ZINC000283904401 263084707 /nfs/dbraw/zinc/08/47/07/263084707.db2.gz DHYTVRPEVMEKLU-DGCLKSJQSA-N 1 2 291.351 1.790 20 30 CDEDLO NC(=[NH+]OCC(=O)N1CCc2ccccc21)[C@H]1CCCO1 ZINC000284589352 263087499 /nfs/dbraw/zinc/08/74/99/263087499.db2.gz XVWHJMFJPYCATD-CYBMUJFWSA-N 1 2 289.335 1.044 20 30 CDEDLO N#C[C@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)CCO1 ZINC000290636625 263118014 /nfs/dbraw/zinc/11/80/14/263118014.db2.gz JGUAOGOMTXBJLY-NSHDSACASA-N 1 2 271.280 1.091 20 30 CDEDLO CCc1nocc1C[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000293478949 263141382 /nfs/dbraw/zinc/14/13/82/263141382.db2.gz RREZURULBJHPBI-OAHLLOKOSA-N 1 2 290.367 1.477 20 30 CDEDLO CCc1nocc1C[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000293478949 263141384 /nfs/dbraw/zinc/14/13/84/263141384.db2.gz RREZURULBJHPBI-OAHLLOKOSA-N 1 2 290.367 1.477 20 30 CDEDLO C=CCCS[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000341912818 263365869 /nfs/dbraw/zinc/36/58/69/263365869.db2.gz APNCWQJRPDGVPP-GFCCVEGCSA-N 1 2 256.415 1.848 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000341974217 263372837 /nfs/dbraw/zinc/37/28/37/263372837.db2.gz HTHDNLJHFWWYCJ-UHFFFAOYSA-N 1 2 293.327 1.080 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2cc(C(=O)OC)co2)CC1 ZINC000342023771 263379971 /nfs/dbraw/zinc/37/99/71/263379971.db2.gz UEPITDFSFSFASF-UHFFFAOYSA-N 1 2 292.335 1.818 20 30 CDEDLO CN(C(=O)C[NH2+][C@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000330808890 264044015 /nfs/dbraw/zinc/04/40/15/264044015.db2.gz DHTSEYBSDSJWJQ-OCCSQVGLSA-N 1 2 257.337 1.931 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000330873995 264060183 /nfs/dbraw/zinc/06/01/83/264060183.db2.gz ZBQNRXJGNRQSTD-HNNXBMFYSA-N 1 2 277.368 1.205 20 30 CDEDLO CCOC[C@@H]1CCN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000331063124 264110798 /nfs/dbraw/zinc/11/07/98/264110798.db2.gz DERUSVONPJUSTC-LLVKDONJSA-N 1 2 266.345 1.193 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000331236684 264175245 /nfs/dbraw/zinc/17/52/45/264175245.db2.gz ULPLYZFTLMTLJP-SNVBAGLBSA-N 1 2 277.324 1.485 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000331236684 264175248 /nfs/dbraw/zinc/17/52/48/264175248.db2.gz ULPLYZFTLMTLJP-SNVBAGLBSA-N 1 2 277.324 1.485 20 30 CDEDLO Cc1cnc(C(=O)NC(C)(C)C[NH+]2CCOCC2)cn1 ZINC000331353447 264207598 /nfs/dbraw/zinc/20/75/98/264207598.db2.gz PAAJEGULAOYZBY-UHFFFAOYSA-N 1 2 278.356 1.200 20 30 CDEDLO CC[C@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000424963543 264398817 /nfs/dbraw/zinc/39/88/17/264398817.db2.gz DKKXESCFQWTLFA-GBJTYRQASA-N 1 2 293.411 1.684 20 30 CDEDLO CC[C@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000424963543 264398819 /nfs/dbraw/zinc/39/88/19/264398819.db2.gz DKKXESCFQWTLFA-GBJTYRQASA-N 1 2 293.411 1.684 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@@H](CC)C1 ZINC000045753435 423843201 /nfs/dbraw/zinc/84/32/01/423843201.db2.gz NRABGAVGIOEMFI-KBPBESRZSA-N 1 2 266.385 1.686 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000045753435 423843213 /nfs/dbraw/zinc/84/32/13/423843213.db2.gz NRABGAVGIOEMFI-KBPBESRZSA-N 1 2 266.385 1.686 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1c[nH+]c(C)cc1C ZINC000653125457 424319586 /nfs/dbraw/zinc/31/95/86/424319586.db2.gz BIFJAKIKBCGFSB-KGLIPLIRSA-N 1 2 275.352 1.841 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000356732850 266166417 /nfs/dbraw/zinc/16/64/17/266166417.db2.gz ALFREJQKJGWYNZ-IIAWOOMASA-N 1 2 280.412 1.910 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CC(C)(C)C#N ZINC000357482690 266305674 /nfs/dbraw/zinc/30/56/74/266305674.db2.gz JKDYEVHFLOZTPF-LBPRGKRZSA-N 1 2 267.373 1.105 20 30 CDEDLO C=CCN(C(=O)NCC[N@H+]1CCOCC1(C)C)C1CC1 ZINC000357567797 266325984 /nfs/dbraw/zinc/32/59/84/266325984.db2.gz FQNGSINILIIWTB-UHFFFAOYSA-N 1 2 281.400 1.457 20 30 CDEDLO C=CCN(C(=O)NCC[N@@H+]1CCOCC1(C)C)C1CC1 ZINC000357567797 266325987 /nfs/dbraw/zinc/32/59/87/266325987.db2.gz FQNGSINILIIWTB-UHFFFAOYSA-N 1 2 281.400 1.457 20 30 CDEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H](C)C#N)CC1 ZINC000357838040 266374086 /nfs/dbraw/zinc/37/40/86/266374086.db2.gz VHMKMGYYKGUEHI-SNVBAGLBSA-N 1 2 276.340 1.095 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(C)(C)C#N)C1 ZINC000369365362 267238200 /nfs/dbraw/zinc/23/82/00/267238200.db2.gz ASPDPLNEEGXCRX-LLVKDONJSA-N 1 2 260.341 1.676 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)COC ZINC001667545383 1173287652 /nfs/dbraw/zinc/28/76/52/1173287652.db2.gz IGZDEMFVYICPSL-JTQLQIEISA-N 1 2 262.781 1.412 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](C)COC ZINC001667545383 1173287655 /nfs/dbraw/zinc/28/76/55/1173287655.db2.gz IGZDEMFVYICPSL-JTQLQIEISA-N 1 2 262.781 1.412 20 30 CDEDLO C[C@@H](c1nnnn1C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000364975654 274281284 /nfs/dbraw/zinc/28/12/84/274281284.db2.gz FVVUKJMVCDTXBL-LBPRGKRZSA-N 1 2 294.362 1.932 20 30 CDEDLO C[C@@H](c1nnnn1C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000364975654 274281286 /nfs/dbraw/zinc/28/12/86/274281286.db2.gz FVVUKJMVCDTXBL-LBPRGKRZSA-N 1 2 294.362 1.932 20 30 CDEDLO CC(C)C[N@H+](CC(N)=O)Cc1ccc(F)cc1C#N ZINC000103139744 277378655 /nfs/dbraw/zinc/37/86/55/277378655.db2.gz BVRRXWSPPYURTE-UHFFFAOYSA-N 1 2 263.316 1.641 20 30 CDEDLO CC(C)C[N@@H+](CC(N)=O)Cc1ccc(F)cc1C#N ZINC000103139744 277378656 /nfs/dbraw/zinc/37/86/56/277378656.db2.gz BVRRXWSPPYURTE-UHFFFAOYSA-N 1 2 263.316 1.641 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000333227926 277903217 /nfs/dbraw/zinc/90/32/17/277903217.db2.gz XMPDJDYOGCCYDL-LOWDOPEQSA-N 1 2 290.367 1.922 20 30 CDEDLO O=CN1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000298138860 280333225 /nfs/dbraw/zinc/33/32/25/280333225.db2.gz QPHWJIKLANJGLB-UHFFFAOYSA-N 1 2 276.767 1.856 20 30 CDEDLO O=CN1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000298138860 280333227 /nfs/dbraw/zinc/33/32/27/280333227.db2.gz QPHWJIKLANJGLB-UHFFFAOYSA-N 1 2 276.767 1.856 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000556687753 290281107 /nfs/dbraw/zinc/28/11/07/290281107.db2.gz QYMUOKGVJQISBD-CYBMUJFWSA-N 1 2 295.346 1.625 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(F)c(C#N)c2)CCO1 ZINC000556811159 290301886 /nfs/dbraw/zinc/30/18/86/290301886.db2.gz PSHBYDVCOURBGK-LLVKDONJSA-N 1 2 291.326 1.148 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(F)c(C#N)c2)CCO1 ZINC000556811159 290301888 /nfs/dbraw/zinc/30/18/88/290301888.db2.gz PSHBYDVCOURBGK-LLVKDONJSA-N 1 2 291.326 1.148 20 30 CDEDLO C[C@H](c1nccc(N)n1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000570269903 294205311 /nfs/dbraw/zinc/20/53/11/294205311.db2.gz LOBJJQVCUBAAET-LLVKDONJSA-N 1 2 267.336 1.954 20 30 CDEDLO C[C@H](c1nccc(N)n1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000570269903 294205312 /nfs/dbraw/zinc/20/53/12/294205312.db2.gz LOBJJQVCUBAAET-LLVKDONJSA-N 1 2 267.336 1.954 20 30 CDEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cnccn1 ZINC000570377085 294225329 /nfs/dbraw/zinc/22/53/29/294225329.db2.gz BVTJGPAMHQHXKQ-UHFFFAOYSA-N 1 2 282.347 1.997 20 30 CDEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cnccn1 ZINC000570377085 294225331 /nfs/dbraw/zinc/22/53/31/294225331.db2.gz BVTJGPAMHQHXKQ-UHFFFAOYSA-N 1 2 282.347 1.997 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000352686316 303154552 /nfs/dbraw/zinc/15/45/52/303154552.db2.gz NAYWLEUROGXIJR-WOPDTQHZSA-N 1 2 289.301 1.923 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000352686316 303154554 /nfs/dbraw/zinc/15/45/54/303154554.db2.gz NAYWLEUROGXIJR-WOPDTQHZSA-N 1 2 289.301 1.923 20 30 CDEDLO N#Cc1cnn2cc(C[N@@H+]3CCOC4(CCCC4)C3)cnc12 ZINC000577373906 317317435 /nfs/dbraw/zinc/31/74/35/317317435.db2.gz XEJKZGYXXZZYSW-UHFFFAOYSA-N 1 2 297.362 1.746 20 30 CDEDLO N#Cc1cnn2cc(C[N@H+]3CCOC4(CCCC4)C3)cnc12 ZINC000577373906 317317439 /nfs/dbraw/zinc/31/74/39/317317439.db2.gz XEJKZGYXXZZYSW-UHFFFAOYSA-N 1 2 297.362 1.746 20 30 CDEDLO C=C(C)COCCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000534326192 328045655 /nfs/dbraw/zinc/04/56/55/328045655.db2.gz PGWAWDJWCZXSNC-UHFFFAOYSA-N 1 2 263.341 1.835 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1ccccc1F ZINC000563493975 328070067 /nfs/dbraw/zinc/07/00/67/328070067.db2.gz LEXJMVRFYQNEGK-AWEZNQCLSA-N 1 2 279.315 1.165 20 30 CDEDLO Cc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)s1 ZINC000571138849 328087659 /nfs/dbraw/zinc/08/76/59/328087659.db2.gz GWBKZFCTFIBFMO-GFCCVEGCSA-N 1 2 251.355 1.630 20 30 CDEDLO CCOC(=O)C[N@H+](CCOCCC#N)Cc1ccccc1 ZINC000293406192 328096253 /nfs/dbraw/zinc/09/62/53/328096253.db2.gz HUULLSFRSNTTLA-UHFFFAOYSA-N 1 2 290.363 1.982 20 30 CDEDLO CCOC(=O)C[N@@H+](CCOCCC#N)Cc1ccccc1 ZINC000293406192 328096255 /nfs/dbraw/zinc/09/62/55/328096255.db2.gz HUULLSFRSNTTLA-UHFFFAOYSA-N 1 2 290.363 1.982 20 30 CDEDLO Cc1ccccc1CNC(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284462688 328246110 /nfs/dbraw/zinc/24/61/10/328246110.db2.gz QUFXROUVHJFMCF-ZDUSSCGKSA-N 1 2 291.351 1.079 20 30 CDEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000284694692 328246503 /nfs/dbraw/zinc/24/65/03/328246503.db2.gz BGEXIFSPKLTNAV-OCCSQVGLSA-N 1 2 289.354 1.885 20 30 CDEDLO CC(C)(C#N)c1ccccc1C[N@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000284694692 328246505 /nfs/dbraw/zinc/24/65/05/328246505.db2.gz BGEXIFSPKLTNAV-OCCSQVGLSA-N 1 2 289.354 1.885 20 30 CDEDLO CC1(C)C[C@]1(C#N)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000291529876 328264554 /nfs/dbraw/zinc/26/45/54/328264554.db2.gz ZPRIJSXLBUSZMV-CQSZACIVSA-N 1 2 254.293 1.756 20 30 CDEDLO N#Cc1cc(N2CC[NH+](Cc3cccc(F)c3)CC2)ncn1 ZINC000581763783 324831117 /nfs/dbraw/zinc/83/11/17/324831117.db2.gz HPYPEBSQWCXMIO-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO C=CCOc1ccccc1C[N@@H+]1CCn2nncc2C1 ZINC000569379470 327169889 /nfs/dbraw/zinc/16/98/89/327169889.db2.gz DPKCPDQPGUNXSN-UHFFFAOYSA-N 1 2 270.336 1.859 20 30 CDEDLO C=CCOc1ccccc1C[N@H+]1CCn2nncc2C1 ZINC000569379470 327169891 /nfs/dbraw/zinc/16/98/91/327169891.db2.gz DPKCPDQPGUNXSN-UHFFFAOYSA-N 1 2 270.336 1.859 20 30 CDEDLO N#C[C@@]1(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCOC1 ZINC000358474421 328885618 /nfs/dbraw/zinc/88/56/18/328885618.db2.gz MJMQZRKYRSLNHV-INIZCTEOSA-N 1 2 296.330 1.344 20 30 CDEDLO CCC[C@@H](C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000072679844 329858379 /nfs/dbraw/zinc/85/83/79/329858379.db2.gz SXCBJOBJFALUIE-CQSZACIVSA-N 1 2 281.400 1.497 20 30 CDEDLO C#CC[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000105400361 330325758 /nfs/dbraw/zinc/32/57/58/330325758.db2.gz ZLYZAUVEWGCMKS-JTQLQIEISA-N 1 2 267.126 1.198 20 30 CDEDLO C[C@@H]1C[C@]1(C#N)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000451288085 331023286 /nfs/dbraw/zinc/02/32/86/331023286.db2.gz RXWBTMYZBLJZPF-GUIRCDHDSA-N 1 2 279.384 1.104 20 30 CDEDLO C[C@@H]1C[C@]1(C#N)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000451288085 331023287 /nfs/dbraw/zinc/02/32/87/331023287.db2.gz RXWBTMYZBLJZPF-GUIRCDHDSA-N 1 2 279.384 1.104 20 30 CDEDLO C=C(C)CCNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000455325982 331166293 /nfs/dbraw/zinc/16/62/93/331166293.db2.gz NVKQYIXXZSWCOK-LBPRGKRZSA-N 1 2 262.357 1.885 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456196251 331186293 /nfs/dbraw/zinc/18/62/93/331186293.db2.gz CLXDKKDHMMIQIW-LZWOXQAQSA-N 1 2 296.411 1.195 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456196251 331186294 /nfs/dbraw/zinc/18/62/94/331186294.db2.gz CLXDKKDHMMIQIW-LZWOXQAQSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CCn1cccc1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456204008 331186426 /nfs/dbraw/zinc/18/64/26/331186426.db2.gz LUPSBKSWEAVMBN-OKILXGFUSA-N 1 2 289.379 1.267 20 30 CDEDLO C=CCn1cccc1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456204008 331186427 /nfs/dbraw/zinc/18/64/27/331186427.db2.gz LUPSBKSWEAVMBN-OKILXGFUSA-N 1 2 289.379 1.267 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000456764603 331201406 /nfs/dbraw/zinc/20/14/06/331201406.db2.gz INNGBYCQOIMTGN-ZFWWWQNUSA-N 1 2 296.411 1.073 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000456764603 331201407 /nfs/dbraw/zinc/20/14/07/331201407.db2.gz INNGBYCQOIMTGN-ZFWWWQNUSA-N 1 2 296.411 1.073 20 30 CDEDLO CC(C)(CC#N)CNC(=O)NCCNc1cccc[nH+]1 ZINC000457496629 331224947 /nfs/dbraw/zinc/22/49/47/331224947.db2.gz JFEFTAQGZZQNMG-UHFFFAOYSA-N 1 2 275.356 1.733 20 30 CDEDLO C[C@@H](NC(=O)N(C)CC(C)(C)C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000458321781 331248556 /nfs/dbraw/zinc/24/85/56/331248556.db2.gz XQYHMMUJPZGUKX-CHWSQXEVSA-N 1 2 296.415 1.287 20 30 CDEDLO C=CC(C)(C)CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000458982630 331263729 /nfs/dbraw/zinc/26/37/29/331263729.db2.gz BTHSIQWUNBRCHJ-ZDUSSCGKSA-N 1 2 283.416 1.561 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC(C)(C)CC#N ZINC000459235972 331272556 /nfs/dbraw/zinc/27/25/56/331272556.db2.gz LFIWBSNRWFXCPZ-CYBMUJFWSA-N 1 2 296.415 1.288 20 30 CDEDLO COCCN(CC#N)Cc1cn2c(cccc2C)[nH+]1 ZINC000459542502 331286827 /nfs/dbraw/zinc/28/68/27/331286827.db2.gz JZJLRWBQFSLIQP-UHFFFAOYSA-N 1 2 258.325 1.615 20 30 CDEDLO C=CCCCS(=O)(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000489880440 332071599 /nfs/dbraw/zinc/07/15/99/332071599.db2.gz DTNSFWXQGGZABN-LBPRGKRZSA-N 1 2 260.403 1.308 20 30 CDEDLO C=CCCCS(=O)(=O)N1CC[N@H+](CC)C[C@@H]1C ZINC000489880440 332071601 /nfs/dbraw/zinc/07/16/01/332071601.db2.gz DTNSFWXQGGZABN-LBPRGKRZSA-N 1 2 260.403 1.308 20 30 CDEDLO C#CCN(CC#CC)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000490916433 332128936 /nfs/dbraw/zinc/12/89/36/332128936.db2.gz SILATNYQAQCMTH-UHFFFAOYSA-N 1 2 278.315 1.366 20 30 CDEDLO C#CCN(CC#C)C(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000491022923 332140037 /nfs/dbraw/zinc/14/00/37/332140037.db2.gz UDLANHONIKHLOL-UHFFFAOYSA-N 1 2 279.343 1.830 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000491286086 332181244 /nfs/dbraw/zinc/18/12/44/332181244.db2.gz GVZLKWUJLJAWKJ-NSHDSACASA-N 1 2 274.320 1.365 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000491286086 332181246 /nfs/dbraw/zinc/18/12/46/332181246.db2.gz GVZLKWUJLJAWKJ-NSHDSACASA-N 1 2 274.320 1.365 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCc1cccc(COC(C)C)c1 ZINC000491438240 332210901 /nfs/dbraw/zinc/21/09/01/332210901.db2.gz AVIGHXVESDZJLA-UHFFFAOYSA-N 1 2 288.391 1.793 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCc1cccc(COC(C)C)c1 ZINC000491438240 332210903 /nfs/dbraw/zinc/21/09/03/332210903.db2.gz AVIGHXVESDZJLA-UHFFFAOYSA-N 1 2 288.391 1.793 20 30 CDEDLO C#CCN(C)C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000491462700 332216203 /nfs/dbraw/zinc/21/62/03/332216203.db2.gz JSPOQEMNANCJIY-VIFPVBQESA-N 1 2 273.258 1.548 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1)C(C)C ZINC000491504562 332224647 /nfs/dbraw/zinc/22/46/47/332224647.db2.gz IOINUDYXCYMZLK-KBPBESRZSA-N 1 2 281.400 1.054 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCO[C@@H](CC)C1)C(C)C ZINC000491504562 332224648 /nfs/dbraw/zinc/22/46/48/332224648.db2.gz IOINUDYXCYMZLK-KBPBESRZSA-N 1 2 281.400 1.054 20 30 CDEDLO C#C[C@H](C)N(C)c1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000491524529 332229665 /nfs/dbraw/zinc/22/96/65/332229665.db2.gz MLSGAKTVMJRNHQ-STQMWFEESA-N 1 2 274.368 1.143 20 30 CDEDLO C#C[C@H](C)N(C)c1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000491524529 332229667 /nfs/dbraw/zinc/22/96/67/332229667.db2.gz MLSGAKTVMJRNHQ-STQMWFEESA-N 1 2 274.368 1.143 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000491615259 332242847 /nfs/dbraw/zinc/24/28/47/332242847.db2.gz CEJVELHTFQMLOJ-DZGCQCFKSA-N 1 2 284.359 1.515 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000491615259 332242848 /nfs/dbraw/zinc/24/28/48/332242848.db2.gz CEJVELHTFQMLOJ-DZGCQCFKSA-N 1 2 284.359 1.515 20 30 CDEDLO C#C[C@@H](NC(=O)NCc1ccc[nH+]c1N(C)C)C(C)(C)C ZINC000491663672 332272800 /nfs/dbraw/zinc/27/28/00/332272800.db2.gz NNKCKGQXWJATDY-CYBMUJFWSA-N 1 2 288.395 1.995 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@](CC)(C(C)C)C1=O ZINC000491766328 332334289 /nfs/dbraw/zinc/33/42/89/332334289.db2.gz GYIIQQRTPVDQIG-BXUZGUMPSA-N 1 2 265.357 1.254 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@](CC)(C(C)C)C1=O ZINC000491766328 332334291 /nfs/dbraw/zinc/33/42/91/332334291.db2.gz GYIIQQRTPVDQIG-BXUZGUMPSA-N 1 2 265.357 1.254 20 30 CDEDLO C#C[C@H](CC)Nc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000491780229 332344742 /nfs/dbraw/zinc/34/47/42/332344742.db2.gz LTUOYSYBKWUKKH-SNVBAGLBSA-N 1 2 279.307 1.429 20 30 CDEDLO C#CCN(CC#CC)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000491783472 332346857 /nfs/dbraw/zinc/34/68/57/332346857.db2.gz PFNLLJKCXPBNSM-UHFFFAOYSA-N 1 2 282.334 1.449 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000491810216 332362833 /nfs/dbraw/zinc/36/28/33/332362833.db2.gz ZNZFOUPWMANKOI-LBPRGKRZSA-N 1 2 255.321 1.665 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493203681 332430479 /nfs/dbraw/zinc/43/04/79/332430479.db2.gz IINOZEGYHBESCG-DWKGUQLISA-N 1 2 261.325 1.520 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1ccc2c(c1)CCO2 ZINC000493588198 332446062 /nfs/dbraw/zinc/44/60/62/332446062.db2.gz MPTDBYXFRCJTKB-QQOXCAACSA-N 1 2 299.374 1.595 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000174526207 333001460 /nfs/dbraw/zinc/00/14/60/333001460.db2.gz KFWRSBMAXMIGJT-UHFFFAOYSA-N 1 2 284.359 1.647 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCCCOC1CCCCC1 ZINC000192225570 333232713 /nfs/dbraw/zinc/23/27/13/333232713.db2.gz YDOXEBAJIDSGFU-UHFFFAOYSA-N 1 2 266.385 1.407 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCCCOC1CCCCC1 ZINC000192225570 333232714 /nfs/dbraw/zinc/23/27/14/333232714.db2.gz YDOXEBAJIDSGFU-UHFFFAOYSA-N 1 2 266.385 1.407 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000192229952 333233254 /nfs/dbraw/zinc/23/32/54/333233254.db2.gz BYVWZHURORFBCR-UHFFFAOYSA-N 1 2 255.321 1.498 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000192229952 333233256 /nfs/dbraw/zinc/23/32/56/333233256.db2.gz BYVWZHURORFBCR-UHFFFAOYSA-N 1 2 255.321 1.498 20 30 CDEDLO CC[C@@H](OC1CCCC1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000567592995 333310699 /nfs/dbraw/zinc/31/06/99/333310699.db2.gz NETKXGIGIMTHKJ-UKRRQHHQSA-N 1 2 281.400 1.684 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(F)c(F)c2)CC1 ZINC000123551273 333548183 /nfs/dbraw/zinc/54/81/83/333548183.db2.gz DAKXZILBQLDAOX-UHFFFAOYSA-N 1 2 293.317 1.154 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)N1CCC(CC#N)CC1 ZINC000540992075 333757155 /nfs/dbraw/zinc/75/71/55/333757155.db2.gz UPUXMHLIPDNVJZ-UHFFFAOYSA-N 1 2 261.329 1.255 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081062878 334177890 /nfs/dbraw/zinc/17/78/90/334177890.db2.gz LBOBWLWKELOYMI-OAHLLOKOSA-N 1 2 276.384 1.667 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081062878 334177891 /nfs/dbraw/zinc/17/78/91/334177891.db2.gz LBOBWLWKELOYMI-OAHLLOKOSA-N 1 2 276.384 1.667 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001754471863 1159222212 /nfs/dbraw/zinc/22/22/12/1159222212.db2.gz FNXGRWJCPMLQPB-HUUCEWRRSA-N 1 2 276.380 1.183 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001754471863 1159222214 /nfs/dbraw/zinc/22/22/14/1159222214.db2.gz FNXGRWJCPMLQPB-HUUCEWRRSA-N 1 2 276.380 1.183 20 30 CDEDLO CCOC(=O)N[C@@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000249715537 334339285 /nfs/dbraw/zinc/33/92/85/334339285.db2.gz IBRPHKFASZVULH-CHWSQXEVSA-N 1 2 278.356 1.640 20 30 CDEDLO CCOC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000249715537 334339286 /nfs/dbraw/zinc/33/92/86/334339286.db2.gz IBRPHKFASZVULH-CHWSQXEVSA-N 1 2 278.356 1.640 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCCO[C@@H](CF)C2)CCCCC1 ZINC000576485581 335210703 /nfs/dbraw/zinc/21/07/03/335210703.db2.gz LJWYVGZVGDTKJR-ZDUSSCGKSA-N 1 2 297.374 1.389 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCCO[C@@H](CF)C2)CCCCC1 ZINC000576485581 335210705 /nfs/dbraw/zinc/21/07/05/335210705.db2.gz LJWYVGZVGDTKJR-ZDUSSCGKSA-N 1 2 297.374 1.389 20 30 CDEDLO COC(=O)[C@H]([NH2+]CCOCCC#N)[C@H]1CCC[C@@H](OC)C1 ZINC000581194835 336022815 /nfs/dbraw/zinc/02/28/15/336022815.db2.gz IGMDJEUYSMOWJI-BFHYXJOUSA-N 1 2 298.383 1.253 20 30 CDEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H](F)c2ccccc2)C1 ZINC001754775050 1159453666 /nfs/dbraw/zinc/45/36/66/1159453666.db2.gz GNLFRCJAYBBTIR-CQSZACIVSA-N 1 2 292.354 1.436 20 30 CDEDLO C=CCCC(=O)NCC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001075887138 1160518953 /nfs/dbraw/zinc/51/89/53/1160518953.db2.gz YDGGUBLBJYZSDW-ZDUSSCGKSA-N 1 2 292.383 1.250 20 30 CDEDLO C=C[C@H](O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000668270171 482305675 /nfs/dbraw/zinc/30/56/75/482305675.db2.gz CEFMMSXBABOCFP-WFASDCNBSA-N 1 2 290.363 1.565 20 30 CDEDLO CCC#C[C@H](C)[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000680582579 482514856 /nfs/dbraw/zinc/51/48/56/482514856.db2.gz CCBGUJCNIGYFDV-LBPRGKRZSA-N 1 2 262.332 1.540 20 30 CDEDLO COCC#CC[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000677133102 482542155 /nfs/dbraw/zinc/54/21/55/482542155.db2.gz HOWLLIYAFYGOMV-MRXNPFEDSA-N 1 2 286.375 1.764 20 30 CDEDLO COCC#CC[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000677133102 482542161 /nfs/dbraw/zinc/54/21/61/482542161.db2.gz HOWLLIYAFYGOMV-MRXNPFEDSA-N 1 2 286.375 1.764 20 30 CDEDLO C=C[C@](C)(O)C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000667136250 483105895 /nfs/dbraw/zinc/10/58/95/483105895.db2.gz ZVOUBAMLWGDTKH-AWEZNQCLSA-N 1 2 259.309 1.196 20 30 CDEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000678714860 483147429 /nfs/dbraw/zinc/14/74/29/483147429.db2.gz UTAVEUGMMLBALZ-ZDUSSCGKSA-N 1 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/nfs/dbraw/zinc/34/66/23/517346623.db2.gz ZYKUEQQDUFKSEV-CQSZACIVSA-N 1 2 260.312 1.886 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411776231 517346629 /nfs/dbraw/zinc/34/66/29/517346629.db2.gz ZYKUEQQDUFKSEV-CQSZACIVSA-N 1 2 260.312 1.886 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@H](COC)c1ccc(CC)o1 ZINC000184811438 518281496 /nfs/dbraw/zinc/28/14/96/518281496.db2.gz DJMROQIQDGKOHI-DGCLKSJQSA-N 1 2 278.352 1.257 20 30 CDEDLO Cc1cc[nH+]c(C)c1NC(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000329259679 534386944 /nfs/dbraw/zinc/38/69/44/534386944.db2.gz YSKUPMOQGNNCIZ-TXEJJXNPSA-N 1 2 277.324 1.344 20 30 CDEDLO C=CC[NH+]1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000105894382 526456851 /nfs/dbraw/zinc/45/68/51/526456851.db2.gz JELBTYBZFRDQNU-HNNXBMFYSA-N 1 2 276.380 1.230 20 30 CDEDLO N#Cc1cccnc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000060349544 526753564 /nfs/dbraw/zinc/75/35/64/526753564.db2.gz UGJZGPBATLADLR-UHFFFAOYSA-N 1 2 294.358 1.981 20 30 CDEDLO C=CCN(C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)C(C)C ZINC000730132674 574852723 /nfs/dbraw/zinc/85/27/23/574852723.db2.gz XXLKOSPCLLKOMF-AWEZNQCLSA-N 1 2 282.432 1.228 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)COc1cccc(C#N)c1 ZINC000732094801 575079596 /nfs/dbraw/zinc/07/95/96/575079596.db2.gz QDVDNUHGZRVERZ-UHFFFAOYSA-N 1 2 270.292 1.319 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N(C)CC1CCCCC1 ZINC000743854947 576658740 /nfs/dbraw/zinc/65/87/40/576658740.db2.gz UZCONEGRBPVXTG-UHFFFAOYSA-N 1 2 274.408 1.984 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N(C)CC1CCCCC1 ZINC000743854947 576658741 /nfs/dbraw/zinc/65/87/41/576658741.db2.gz UZCONEGRBPVXTG-UHFFFAOYSA-N 1 2 274.408 1.984 20 30 CDEDLO Cc1cc(C[N@H+](C)CCS(C)(=O)=O)ccc1C#N ZINC000774833878 575244879 /nfs/dbraw/zinc/24/48/79/575244879.db2.gz PXVOSHNBFCCRJF-UHFFFAOYSA-N 1 2 266.366 1.343 20 30 CDEDLO Cc1cc(C[N@@H+](C)CCS(C)(=O)=O)ccc1C#N ZINC000774833878 575244881 /nfs/dbraw/zinc/24/48/81/575244881.db2.gz PXVOSHNBFCCRJF-UHFFFAOYSA-N 1 2 266.366 1.343 20 30 CDEDLO C=C1CC[NH+]([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735402751 575465547 /nfs/dbraw/zinc/46/55/47/575465547.db2.gz JFUYFEUBYZQQQT-ZDUSSCGKSA-N 1 2 298.350 1.045 20 30 CDEDLO C=CCNc1ncc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000771024372 575532510 /nfs/dbraw/zinc/53/25/10/575532510.db2.gz HNCCMQKNTNNRDQ-JTQLQIEISA-N 1 2 280.397 1.517 20 30 CDEDLO C=CCNc1ncc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000771024372 575532515 /nfs/dbraw/zinc/53/25/15/575532515.db2.gz HNCCMQKNTNNRDQ-JTQLQIEISA-N 1 2 280.397 1.517 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC(=O)c1ccco1 ZINC000771567274 575591120 /nfs/dbraw/zinc/59/11/20/575591120.db2.gz YWKXVJBQFLBNMG-OLZOCXBDSA-N 1 2 288.347 1.455 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC(=O)c1ccco1 ZINC000771567274 575591122 /nfs/dbraw/zinc/59/11/22/575591122.db2.gz YWKXVJBQFLBNMG-OLZOCXBDSA-N 1 2 288.347 1.455 20 30 CDEDLO N#Cc1c2c(cn(C[N@@H+]3CCOC4(CCC4)C3)c1=O)CCC2 ZINC000766634379 576117552 /nfs/dbraw/zinc/11/75/52/576117552.db2.gz USXCSPROQIJXBU-UHFFFAOYSA-N 1 2 299.374 1.421 20 30 CDEDLO N#Cc1c2c(cn(C[N@H+]3CCOC4(CCC4)C3)c1=O)CCC2 ZINC000766634379 576117553 /nfs/dbraw/zinc/11/75/53/576117553.db2.gz USXCSPROQIJXBU-UHFFFAOYSA-N 1 2 299.374 1.421 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000759713865 576421829 /nfs/dbraw/zinc/42/18/29/576421829.db2.gz SAOMNJDXVXWSIR-ZDUSSCGKSA-N 1 2 269.304 1.300 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000759713865 576421833 /nfs/dbraw/zinc/42/18/33/576421833.db2.gz SAOMNJDXVXWSIR-ZDUSSCGKSA-N 1 2 269.304 1.300 20 30 CDEDLO C[C@@H]1CC(=NNc2nc(=O)c3ccccc3[nH]2)C[N@@H+]1C ZINC000761816180 576594891 /nfs/dbraw/zinc/59/48/91/576594891.db2.gz CZBJCJQHFGWQSQ-SECBINFHSA-N 1 2 271.324 1.827 20 30 CDEDLO C[C@@H]1CC(=NNc2nc(=O)c3ccccc3[nH]2)C[N@H+]1C ZINC000761816180 576594892 /nfs/dbraw/zinc/59/48/92/576594892.db2.gz CZBJCJQHFGWQSQ-SECBINFHSA-N 1 2 271.324 1.827 20 30 CDEDLO Cc1ncsc1C=NNc1ccc(-n2cc[nH+]c2)nn1 ZINC000761855240 576598052 /nfs/dbraw/zinc/59/80/52/576598052.db2.gz LTWVJVYSTNIIQQ-UHFFFAOYSA-N 1 2 285.336 1.873 20 30 CDEDLO N#CC1CC[NH+](Cn2cnc(-c3ccccn3)n2)CC1 ZINC000762487215 576648070 /nfs/dbraw/zinc/64/80/70/576648070.db2.gz CIUPRGCRCQPKEB-UHFFFAOYSA-N 1 2 268.324 1.533 20 30 CDEDLO C#CC[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000763960323 576768585 /nfs/dbraw/zinc/76/85/85/576768585.db2.gz MGJOIGIMFLOELT-UHFFFAOYSA-N 1 2 299.418 1.809 20 30 CDEDLO C#CC[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000763960323 576768587 /nfs/dbraw/zinc/76/85/87/576768587.db2.gz MGJOIGIMFLOELT-UHFFFAOYSA-N 1 2 299.418 1.809 20 30 CDEDLO CCCCCCCC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000753861892 576863075 /nfs/dbraw/zinc/86/30/75/576863075.db2.gz FOAXPPDVTXURAA-UHFFFAOYSA-N 1 2 283.416 1.285 20 30 CDEDLO CCCCCCCC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000753861892 576863077 /nfs/dbraw/zinc/86/30/77/576863077.db2.gz FOAXPPDVTXURAA-UHFFFAOYSA-N 1 2 283.416 1.285 20 30 CDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccccc2C)CC1 ZINC000747255797 576864306 /nfs/dbraw/zinc/86/43/06/576864306.db2.gz GFNQSISQKKHSEK-UHFFFAOYSA-N 1 2 292.404 1.325 20 30 CDEDLO CCC1N=NC(=S)N1N=C1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000753954710 576869312 /nfs/dbraw/zinc/86/93/12/576869312.db2.gz FZAZXNDSEYPHGV-QMMMGPOBSA-N 1 2 265.386 1.590 20 30 CDEDLO CCC1N=NC(=S)N1N=C1C[C@H](C)[N@H+](C2CC2)C1 ZINC000753954710 576869313 /nfs/dbraw/zinc/86/93/13/576869313.db2.gz FZAZXNDSEYPHGV-QMMMGPOBSA-N 1 2 265.386 1.590 20 30 CDEDLO FC(F)(F)c1ccc(N=NCc2[nH]cc[nH+]2)nn1 ZINC000754710436 576911693 /nfs/dbraw/zinc/91/16/93/576911693.db2.gz YXCHEYYBXAAWSE-UHFFFAOYSA-N 1 2 256.191 1.665 20 30 CDEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(C#N)c[nH]1 ZINC000748529700 576915997 /nfs/dbraw/zinc/91/59/97/576915997.db2.gz PYDDRVJYJDVUKT-CYBMUJFWSA-N 1 2 285.351 1.928 20 30 CDEDLO COc1cccc(O)c1/C=[NH+]\CCCNC(=O)C(C)C ZINC000755376956 576942067 /nfs/dbraw/zinc/94/20/67/576942067.db2.gz UUSDMPGHWUMYGZ-YBEGLDIGSA-N 1 2 278.352 1.982 20 30 CDEDLO C[C@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)C1CC1 ZINC000749385360 576946080 /nfs/dbraw/zinc/94/60/80/576946080.db2.gz SSHCPFVQGIWNHK-CQSZACIVSA-N 1 2 293.411 1.497 20 30 CDEDLO CCC/C(C)=C/C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000749384523 576946123 /nfs/dbraw/zinc/94/61/23/576946123.db2.gz HELIXEVBAUXMSK-CCEZHUSRSA-N 1 2 293.411 1.807 20 30 CDEDLO Cn1c[nH+]cc1C=NN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000755541202 576949196 /nfs/dbraw/zinc/94/91/96/576949196.db2.gz BKVLNPMKXTWUOG-OAHLLOKOSA-N 1 2 297.318 1.221 20 30 CDEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@H](OC)C2)c1=S ZINC000751945158 577076851 /nfs/dbraw/zinc/07/68/51/577076851.db2.gz JFWDPQZLEJNRJY-NSHDSACASA-N 1 2 268.386 1.587 20 30 CDEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@H](OC)C2)c1=S ZINC000751945158 577076853 /nfs/dbraw/zinc/07/68/53/577076853.db2.gz JFWDPQZLEJNRJY-NSHDSACASA-N 1 2 268.386 1.587 20 30 CDEDLO CC(C)OC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758228340 577085863 /nfs/dbraw/zinc/08/58/63/577085863.db2.gz YKXBEYUVRZBUEZ-UHFFFAOYSA-N 1 2 275.352 1.567 20 30 CDEDLO CC(C)C[N@H+](CCC#N)CN1CC2(CC1=O)CCOCC2 ZINC000753091025 577145240 /nfs/dbraw/zinc/14/52/40/577145240.db2.gz VIYZVWMLNLMGHC-UHFFFAOYSA-N 1 2 293.411 1.845 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)CN1CC2(CC1=O)CCOCC2 ZINC000753091025 577145241 /nfs/dbraw/zinc/14/52/41/577145241.db2.gz VIYZVWMLNLMGHC-UHFFFAOYSA-N 1 2 293.411 1.845 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2[nH]cnc2CC)C1 ZINC000957337777 612991460 /nfs/dbraw/zinc/99/14/60/612991460.db2.gz BRBNEGALEIVVEU-UHFFFAOYSA-N 1 2 274.368 1.142 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc3cnccc3o2)C1 ZINC000950770665 612991699 /nfs/dbraw/zinc/99/16/99/612991699.db2.gz YQMPVQSGXJLTPB-UHFFFAOYSA-N 1 2 297.358 1.997 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cn(C)nc2Cl)C1 ZINC000957123269 612992316 /nfs/dbraw/zinc/99/23/16/612992316.db2.gz LSPHXFRKUSUNED-UHFFFAOYSA-N 1 2 294.786 1.243 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2c(C)n(C)nc2Cl)CC1 ZINC000957485774 613010359 /nfs/dbraw/zinc/01/03/59/613010359.db2.gz ULCLXUALXCXUGX-UHFFFAOYSA-N 1 2 294.786 1.163 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2cnoc2C2CC2)CC1 ZINC000983530354 613159878 /nfs/dbraw/zinc/15/98/78/613159878.db2.gz HCHDZRDPIKHJDC-UHFFFAOYSA-N 1 2 273.336 1.333 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2cnoc2C2CC2)CC1 ZINC000983530354 613159879 /nfs/dbraw/zinc/15/98/79/613159879.db2.gz HCHDZRDPIKHJDC-UHFFFAOYSA-N 1 2 273.336 1.333 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCF)CC[C@@H]2C)cn1 ZINC000968560574 613187032 /nfs/dbraw/zinc/18/70/32/613187032.db2.gz DIGSGZGMYLEHFZ-SWLSCSKDSA-N 1 2 289.354 1.473 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCF)CC[C@@H]2C)cn1 ZINC000968560574 613187034 /nfs/dbraw/zinc/18/70/34/613187034.db2.gz DIGSGZGMYLEHFZ-SWLSCSKDSA-N 1 2 289.354 1.473 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)C(=C)C)C2)C1 ZINC000972491865 613210303 /nfs/dbraw/zinc/21/03/03/613210303.db2.gz CUNPCFOTOGWJHJ-KRWDZBQOSA-N 1 2 290.407 1.525 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)C(=C)C)C2)C1 ZINC000972491865 613210306 /nfs/dbraw/zinc/21/03/06/613210306.db2.gz CUNPCFOTOGWJHJ-KRWDZBQOSA-N 1 2 290.407 1.525 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c[nH]nc2CC)C1 ZINC000950708060 613296000 /nfs/dbraw/zinc/29/60/00/613296000.db2.gz KAPKEMJNAJEREP-UHFFFAOYSA-N 1 2 276.384 1.695 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2c3c(nn2C)CCC3)CC1 ZINC000957307071 613320219 /nfs/dbraw/zinc/32/02/19/613320219.db2.gz GFWGARFNDIWTPR-UHFFFAOYSA-N 1 2 288.395 1.243 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc3nnn(C)c3c2)CC1 ZINC000957479767 613320997 /nfs/dbraw/zinc/32/09/97/613320997.db2.gz PYXOAJHNBHXZLQ-UHFFFAOYSA-N 1 2 299.378 1.302 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000969463089 613371804 /nfs/dbraw/zinc/37/18/04/613371804.db2.gz JKMOEBYEDCNBAK-SNVBAGLBSA-N 1 2 292.770 1.689 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2n[nH]cc2C)C1 ZINC000969646006 613372599 /nfs/dbraw/zinc/37/25/99/613372599.db2.gz SYCZNSWFJUXOBH-JTQLQIEISA-N 1 2 282.775 1.521 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cncnc2)C1 ZINC000965936814 613375471 /nfs/dbraw/zinc/37/54/71/613375471.db2.gz VOOMEZLDACMJJW-MFKMUULPSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cncnc2)C1 ZINC000965936814 613375472 /nfs/dbraw/zinc/37/54/72/613375472.db2.gz VOOMEZLDACMJJW-MFKMUULPSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2ccc(C)o2)[C@H](O)C1 ZINC000957850810 613380373 /nfs/dbraw/zinc/38/03/73/613380373.db2.gz DHGZDINUWNJJNT-VXGBXAGGSA-N 1 2 298.770 1.363 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(C)o2)[C@H](O)C1 ZINC000957850810 613380374 /nfs/dbraw/zinc/38/03/74/613380374.db2.gz DHGZDINUWNJJNT-VXGBXAGGSA-N 1 2 298.770 1.363 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C(C)(C)C1 ZINC000974972757 613381073 /nfs/dbraw/zinc/38/10/73/613381073.db2.gz LNJLMQYTSXEQOF-QNWHQSFQSA-N 1 2 298.814 1.458 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C(C)(C)C1 ZINC000974972757 613381074 /nfs/dbraw/zinc/38/10/74/613381074.db2.gz LNJLMQYTSXEQOF-QNWHQSFQSA-N 1 2 298.814 1.458 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC000969829988 613503268 /nfs/dbraw/zinc/50/32/68/613503268.db2.gz BKWTUKBSXSENLQ-IUODEOHRSA-N 1 2 292.383 1.671 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2ncc(Cl)s2)CC1 ZINC000981612909 613557317 /nfs/dbraw/zinc/55/73/17/613557317.db2.gz OCOYYMJGQGDAPR-UHFFFAOYSA-N 1 2 297.811 1.968 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2ncc(Cl)s2)CC1 ZINC000981612909 613557320 /nfs/dbraw/zinc/55/73/20/613557320.db2.gz OCOYYMJGQGDAPR-UHFFFAOYSA-N 1 2 297.811 1.968 20 30 CDEDLO C[C@H](CC(=O)NCC#C[C@@H]1CCCCO1)n1cc[nH+]c1 ZINC000891112580 617365160 /nfs/dbraw/zinc/36/51/60/617365160.db2.gz MCANEIOWTIGKOF-KGLIPLIRSA-N 1 2 275.352 1.523 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[C@H](OC)C2)C1 ZINC000951572981 613654361 /nfs/dbraw/zinc/65/43/61/613654361.db2.gz CPHBVQMPYSBARI-HIFRSBDPSA-N 1 2 280.412 1.910 20 30 CDEDLO O=C(NCC#C[C@H]1CCCCO1)NCCCn1cc[nH+]c1 ZINC000891429389 617390560 /nfs/dbraw/zinc/39/05/60/617390560.db2.gz 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292.383 1.500 20 30 CDEDLO C=C(C)[C@@H](CC(=O)OCCc1c[nH+]cn1C)OCC ZINC000793239397 619257609 /nfs/dbraw/zinc/25/76/09/619257609.db2.gz APTWMBLVODOECY-CYBMUJFWSA-N 1 2 266.341 1.877 20 30 CDEDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000793325780 619267273 /nfs/dbraw/zinc/26/72/73/619267273.db2.gz UQNKWKHJVROYLL-VXGBXAGGSA-N 1 2 276.336 1.971 20 30 CDEDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000793325780 619267275 /nfs/dbraw/zinc/26/72/75/619267275.db2.gz UQNKWKHJVROYLL-VXGBXAGGSA-N 1 2 276.336 1.971 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2c(Cl)nc3ccccn32)CCCN1O ZINC000895166031 619395768 /nfs/dbraw/zinc/39/57/68/619395768.db2.gz OYRGKLIYJJWEII-SECBINFHSA-N 1 2 294.742 1.458 20 30 CDEDLO C=C1C[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000899900678 622517046 /nfs/dbraw/zinc/51/70/46/622517046.db2.gz RFXWYUUJPJETME-ZDUSSCGKSA-N 1 2 256.346 1.134 20 30 CDEDLO Cc1ccc(C(=O)/C=C/C(=O)N2CC[NH+](C)CC2)cc1 ZINC000899904437 622521327 /nfs/dbraw/zinc/52/13/27/622521327.db2.gz IYFJHCGKCCYQDO-BQYQJAHWSA-N 1 2 272.348 1.508 20 30 CDEDLO C#CC[N@H+](CN1C(=O)C[C@H](Cc2ccccc2)C1=O)C(C)C ZINC000905747824 626944305 /nfs/dbraw/zinc/94/43/05/626944305.db2.gz DTRRERIMHDQZQA-INIZCTEOSA-N 1 2 298.386 1.905 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)C[C@H](Cc2ccccc2)C1=O)C(C)C ZINC000905747824 626944309 /nfs/dbraw/zinc/94/43/09/626944309.db2.gz DTRRERIMHDQZQA-INIZCTEOSA-N 1 2 298.386 1.905 20 30 CDEDLO COc1ncc(NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1C#N ZINC000906144583 627133824 /nfs/dbraw/zinc/13/38/24/627133824.db2.gz ABCWUDOXLQOTML-SNVBAGLBSA-N 1 2 285.307 1.748 20 30 CDEDLO C=C[C@H](C)NC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906966619 627474102 /nfs/dbraw/zinc/47/41/02/627474102.db2.gz XKJMTFGRBNWCOV-ZDUSSCGKSA-N 1 2 277.368 1.125 20 30 CDEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000907822433 627846072 /nfs/dbraw/zinc/84/60/72/627846072.db2.gz VRULEXXLIBAKKF-AWEZNQCLSA-N 1 2 266.304 1.628 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913461205 630491343 /nfs/dbraw/zinc/49/13/43/630491343.db2.gz UWOZRNOFVLTOBN-ZDUSSCGKSA-N 1 2 276.384 1.495 20 30 CDEDLO C=CCO[NH+]=Cc1cnc(N2CCOCC2)s1 ZINC000835013787 631560283 /nfs/dbraw/zinc/56/02/83/631560283.db2.gz XTIBAVPDTONXSL-UHFFFAOYSA-N 1 2 253.327 1.516 20 30 CDEDLO N#C[C@H]1CCCN(C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000915177714 631663872 /nfs/dbraw/zinc/66/38/72/631663872.db2.gz RHWPBZMEDZCMDB-CQSZACIVSA-N 1 2 298.390 1.947 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccccn1 ZINC001755289781 1159823567 /nfs/dbraw/zinc/82/35/67/1159823567.db2.gz WDCNVEXCKLKURT-NSHDSACASA-N 1 2 267.760 1.884 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccccn1 ZINC001755289781 1159823579 /nfs/dbraw/zinc/82/35/79/1159823579.db2.gz WDCNVEXCKLKURT-NSHDSACASA-N 1 2 267.760 1.884 20 30 CDEDLO CC#CCCCC(=O)N(C)CC[N@H+](C)Cc1cncn1C ZINC001753860896 1159930436 /nfs/dbraw/zinc/93/04/36/1159930436.db2.gz NOXDHNORBFKIBJ-UHFFFAOYSA-N 1 2 290.411 1.504 20 30 CDEDLO CC#CCCCC(=O)N(C)CC[N@@H+](C)Cc1cncn1C ZINC001753860896 1159930440 /nfs/dbraw/zinc/93/04/40/1159930440.db2.gz NOXDHNORBFKIBJ-UHFFFAOYSA-N 1 2 290.411 1.504 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2nnc(C)o2)cc1 ZINC001132226941 1163208353 /nfs/dbraw/zinc/20/83/53/1163208353.db2.gz VQUYMMCCBATXNI-LLVKDONJSA-N 1 2 298.346 1.440 20 30 CDEDLO C#CCCCCCC(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001132407746 1163271869 /nfs/dbraw/zinc/27/18/69/1163271869.db2.gz NAGKBEUTAKZUKH-LBPRGKRZSA-N 1 2 292.383 1.729 20 30 CDEDLO C#C[C@@](C)(CC)Nc1cc(-n2cncn2)nc(C)[nH+]1 ZINC001158742489 1163508906 /nfs/dbraw/zinc/50/89/06/1163508906.db2.gz HJSCDRPFCWHZKP-ZDUSSCGKSA-N 1 2 256.313 1.580 20 30 CDEDLO C=C(CC)C[NH2+]Cc1nc(-c2nn[nH]n2)cs1 ZINC001609051463 1164745250 /nfs/dbraw/zinc/74/52/50/1164745250.db2.gz ARRNAPJSWSUMQQ-UHFFFAOYSA-N 1 2 250.331 1.379 20 30 CDEDLO Cc1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1-c1nn[nH]n1 ZINC001591960880 1173754728 /nfs/dbraw/zinc/75/47/28/1173754728.db2.gz CYEQJVKHLZWTQH-SNVBAGLBSA-N 1 2 270.340 1.767 20 30 CDEDLO Cc1cc(C[N@H+](C)C[C@H](C)C#N)ccc1-c1nn[nH]n1 ZINC001591960880 1173754731 /nfs/dbraw/zinc/75/47/31/1173754731.db2.gz CYEQJVKHLZWTQH-SNVBAGLBSA-N 1 2 270.340 1.767 20 30 CDEDLO C=CCNc1ncc(C(=O)NCCc2[nH+]ccn2C)s1 ZINC000128306275 1175602037 /nfs/dbraw/zinc/60/20/37/1175602037.db2.gz FGSRDOQRIVYNEC-UHFFFAOYSA-N 1 2 291.380 1.447 20 30 CDEDLO C=CCOCC(=O)N[C@@H]1CCC[N@H+](Cc2ccns2)C1 ZINC001713780510 1178749472 /nfs/dbraw/zinc/74/94/72/1178749472.db2.gz DFBDYIXDFQBKNZ-GFCCVEGCSA-N 1 2 295.408 1.426 20 30 CDEDLO C=CCOCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccns2)C1 ZINC001713780510 1178749478 /nfs/dbraw/zinc/74/94/78/1178749478.db2.gz DFBDYIXDFQBKNZ-GFCCVEGCSA-N 1 2 295.408 1.426 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CC1(O)CCC1 ZINC001731768953 1182564012 /nfs/dbraw/zinc/56/40/12/1182564012.db2.gz PVZQPFKCORKXKX-UHFFFAOYSA-N 1 2 260.765 1.092 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CC1(O)CCC1 ZINC001731768953 1182564016 /nfs/dbraw/zinc/56/40/16/1182564016.db2.gz PVZQPFKCORKXKX-UHFFFAOYSA-N 1 2 260.765 1.092 20 30 CDEDLO C#CC[NH2+][C@H](C)CCNC(=O)C(F)C(F)(F)F ZINC001753007048 1184991669 /nfs/dbraw/zinc/99/16/69/1184991669.db2.gz YTQUEPLPIJXIQP-SFYZADRCSA-N 1 2 254.227 1.004 20 30 CDEDLO C#CC[NH2+][C@H](C)CCNC(=O)[C@H](F)C(F)(F)F ZINC001753007048 1184991675 /nfs/dbraw/zinc/99/16/75/1184991675.db2.gz YTQUEPLPIJXIQP-SFYZADRCSA-N 1 2 254.227 1.004 20 30 CDEDLO C=CCC1(C(=O)N[C@H](C)C[NH2+]Cc2cnsn2)CCC1 ZINC001754240735 1185525587 /nfs/dbraw/zinc/52/55/87/1185525587.db2.gz DUEGSNZFYKMQRD-LLVKDONJSA-N 1 2 294.424 1.879 20 30 CDEDLO C=CCCCC(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)C(C)C ZINC001754492290 1185639936 /nfs/dbraw/zinc/63/99/36/1185639936.db2.gz ZPRRVQNSWMKNPM-CQSZACIVSA-N 1 2 295.427 1.400 20 30 CDEDLO C=CCCCC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)C(C)C ZINC001754492290 1185639937 /nfs/dbraw/zinc/63/99/37/1185639937.db2.gz ZPRRVQNSWMKNPM-CQSZACIVSA-N 1 2 295.427 1.400 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1(C(F)(F)F)CC1 ZINC001754495783 1185642810 /nfs/dbraw/zinc/64/28/10/1185642810.db2.gz RGRQWTFVWVQYGI-SECBINFHSA-N 1 2 260.259 1.153 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1(C(F)(F)F)CC1 ZINC001754495783 1185642813 /nfs/dbraw/zinc/64/28/13/1185642813.db2.gz RGRQWTFVWVQYGI-SECBINFHSA-N 1 2 260.259 1.153 20 30 CDEDLO C=CCCC(=O)NCC1([NH2+]Cc2nonc2C)CC1 ZINC001754509525 1185650534 /nfs/dbraw/zinc/65/05/34/1185650534.db2.gz LTICENHQXZJDTR-UHFFFAOYSA-N 1 2 264.329 1.083 20 30 CDEDLO C#CCC[NH+]1CC([C@H](C)NC(=O)C(F)C(F)(F)F)C1 ZINC001755377837 1185934694 /nfs/dbraw/zinc/93/46/94/1185934694.db2.gz YNBLFRFNNZGGRI-WPRPVWTQSA-N 1 2 280.265 1.347 20 30 CDEDLO C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001755377837 1185934697 /nfs/dbraw/zinc/93/46/97/1185934697.db2.gz YNBLFRFNNZGGRI-WPRPVWTQSA-N 1 2 280.265 1.347 20 30 CDEDLO Cc1nnc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C#CC(C)C)C2)o1 ZINC001755679618 1186035449 /nfs/dbraw/zinc/03/54/49/1186035449.db2.gz ZPQKAWVUVLCVIN-YPMHNXCESA-N 1 2 290.367 1.116 20 30 CDEDLO C=CC[NH+]1CCN(c2nccc(Cl)c2C(=O)OC)CC1 ZINC001165033796 721864037 /nfs/dbraw/zinc/86/40/37/721864037.db2.gz XLPYEKWFQPLEAK-UHFFFAOYSA-N 1 2 295.770 1.830 20 30 CDEDLO C=CC[NH+]1CCN(c2nc(Cl)c(F)cc2C(N)=O)CC1 ZINC001165031498 721865735 /nfs/dbraw/zinc/86/57/35/721865735.db2.gz MGRWLRDZBSFRIP-UHFFFAOYSA-N 1 2 298.749 1.281 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(CC)o2)C1 ZINC001043110469 754042720 /nfs/dbraw/zinc/04/27/20/754042720.db2.gz HRIQEGBCVSWJOA-UHFFFAOYSA-N 1 2 260.337 1.622 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccn(C)c2)C1 ZINC001046240104 754880424 /nfs/dbraw/zinc/88/04/24/754880424.db2.gz WQUOXSXDXPQIMQ-AWEZNQCLSA-N 1 2 281.787 1.972 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccn(C)c2)C1 ZINC001046240104 754880426 /nfs/dbraw/zinc/88/04/26/754880426.db2.gz WQUOXSXDXPQIMQ-AWEZNQCLSA-N 1 2 281.787 1.972 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2nonc2C)CC1 ZINC001001489394 753845174 /nfs/dbraw/zinc/84/51/74/753845174.db2.gz RGJNVNYEBKKLJB-UHFFFAOYSA-N 1 2 296.758 1.492 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2nonc2C)CC1 ZINC001001489394 753845177 /nfs/dbraw/zinc/84/51/77/753845177.db2.gz RGJNVNYEBKKLJB-UHFFFAOYSA-N 1 2 296.758 1.492 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cn(C(C)(C)C)nc2C)C1 ZINC001030300602 753853021 /nfs/dbraw/zinc/85/30/21/753853021.db2.gz FPTMYVVJECESNF-UHFFFAOYSA-N 1 2 288.395 1.384 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@H](OC)C2)C1 ZINC001043150740 753880796 /nfs/dbraw/zinc/88/07/96/753880796.db2.gz PYIODCQPKVEICL-YPMHNXCESA-N 1 2 252.358 1.130 20 30 CDEDLO COc1ccc(C=NNc2[nH+]ccn2C)cc1OC ZINC000790305867 753891164 /nfs/dbraw/zinc/89/11/64/753891164.db2.gz PNJIQECEEHYTOU-UHFFFAOYSA-N 1 2 260.297 1.883 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCOc2ccccc21 ZINC001038822009 753897753 /nfs/dbraw/zinc/89/77/53/753897753.db2.gz HTSXSJRUWINMAM-UKRRQHHQSA-N 1 2 284.359 1.376 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCOc2ccccc21 ZINC001038822009 753897755 /nfs/dbraw/zinc/89/77/55/753897755.db2.gz HTSXSJRUWINMAM-UKRRQHHQSA-N 1 2 284.359 1.376 20 30 CDEDLO C#CCCCS(=O)(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000791417646 753918594 /nfs/dbraw/zinc/91/85/94/753918594.db2.gz HUZGWQWYTFHGDJ-UHFFFAOYSA-N 1 2 290.344 1.994 20 30 CDEDLO C=CCN1CCN(C[N@@H+]2CCCC[C@@H]2C2OCCO2)C1=O ZINC000840001752 753965120 /nfs/dbraw/zinc/96/51/20/753965120.db2.gz COQSKZZFMDSYQT-CYBMUJFWSA-N 1 2 295.383 1.095 20 30 CDEDLO C=CCN1CCN(C[N@H+]2CCCC[C@@H]2C2OCCO2)C1=O ZINC000840001752 753965131 /nfs/dbraw/zinc/96/51/31/753965131.db2.gz COQSKZZFMDSYQT-CYBMUJFWSA-N 1 2 295.383 1.095 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(-c2cccnc2)on1 ZINC001038654453 753975904 /nfs/dbraw/zinc/97/59/04/753975904.db2.gz LINJCKOQIJPXOE-ZDUSSCGKSA-N 1 2 296.330 1.174 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(-c2cccnc2)on1 ZINC001038654453 753975911 /nfs/dbraw/zinc/97/59/11/753975911.db2.gz LINJCKOQIJPXOE-ZDUSSCGKSA-N 1 2 296.330 1.174 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)cncc1C ZINC001038514434 753978797 /nfs/dbraw/zinc/97/87/97/753978797.db2.gz XLMMZVCRABUXAD-CYBMUJFWSA-N 1 2 257.337 1.136 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)cncc1C ZINC001038514434 753978806 /nfs/dbraw/zinc/97/88/06/753978806.db2.gz XLMMZVCRABUXAD-CYBMUJFWSA-N 1 2 257.337 1.136 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cccc(CC#N)n1 ZINC000882471725 753998885 /nfs/dbraw/zinc/99/88/85/753998885.db2.gz BFALROUHALUQLX-VXGBXAGGSA-N 1 2 281.319 1.623 20 30 CDEDLO N#CC[C@@H](O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000809570431 754026518 /nfs/dbraw/zinc/02/65/18/754026518.db2.gz OHYQOJHMFVKFTL-GFCCVEGCSA-N 1 2 288.326 1.094 20 30 CDEDLO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cnns1 ZINC001024348241 754030477 /nfs/dbraw/zinc/03/04/77/754030477.db2.gz KCPUWIDIASPONN-JTQLQIEISA-N 1 2 266.370 1.308 20 30 CDEDLO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1cnns1 ZINC001024348241 754030481 /nfs/dbraw/zinc/03/04/81/754030481.db2.gz KCPUWIDIASPONN-JTQLQIEISA-N 1 2 266.370 1.308 20 30 CDEDLO C[C@@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CCN1CC#N ZINC000947449674 754031833 /nfs/dbraw/zinc/03/18/33/754031833.db2.gz IDSRGXGMHXFCKY-YPMHNXCESA-N 1 2 297.362 1.669 20 30 CDEDLO N#CC1CC[NH+](CN2C(=O)[C@@]3(CCCO3)[C@H]2C2CC2)CC1 ZINC000839979587 754033052 /nfs/dbraw/zinc/03/30/52/754033052.db2.gz MNHIQHFQUHQJCQ-GDBMZVCRSA-N 1 2 289.379 1.349 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)oc2C)C1 ZINC001035287350 754049389 /nfs/dbraw/zinc/04/93/89/754049389.db2.gz NARPOCPWUUVUAG-AWEZNQCLSA-N 1 2 292.379 1.903 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)oc2C)C1 ZINC001035287350 754049397 /nfs/dbraw/zinc/04/93/97/754049397.db2.gz NARPOCPWUUVUAG-AWEZNQCLSA-N 1 2 292.379 1.903 20 30 CDEDLO C#CCC[N@@H+](CCOC)CC(=O)OCc1ccccc1 ZINC000852752301 754080210 /nfs/dbraw/zinc/08/02/10/754080210.db2.gz XWPIDYSKAGNJRS-UHFFFAOYSA-N 1 2 275.348 1.702 20 30 CDEDLO C#CCC[N@H+](CCOC)CC(=O)OCc1ccccc1 ZINC000852752301 754080220 /nfs/dbraw/zinc/08/02/20/754080220.db2.gz XWPIDYSKAGNJRS-UHFFFAOYSA-N 1 2 275.348 1.702 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccc(C)nc2)C1 ZINC001031392855 754088254 /nfs/dbraw/zinc/08/82/54/754088254.db2.gz ZXNUINPCLNWZGQ-UHFFFAOYSA-N 1 2 259.353 1.309 20 30 CDEDLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)CC(C)(C)C#N ZINC000842968735 754098777 /nfs/dbraw/zinc/09/87/77/754098777.db2.gz WAWSGDGKPNFMDU-STQMWFEESA-N 1 2 298.383 1.205 20 30 CDEDLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)CC(C)(C)C#N ZINC000842968735 754098779 /nfs/dbraw/zinc/09/87/79/754098779.db2.gz WAWSGDGKPNFMDU-STQMWFEESA-N 1 2 298.383 1.205 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C=C3CCC3)C[C@@H]21 ZINC001074212186 754121601 /nfs/dbraw/zinc/12/16/01/754121601.db2.gz LHCWAGHJYOFSQU-LSDHHAIUSA-N 1 2 276.380 1.584 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H]2CCN(C(=O)C=C3CCC3)C[C@@H]21 ZINC001074212186 754121611 /nfs/dbraw/zinc/12/16/11/754121611.db2.gz LHCWAGHJYOFSQU-LSDHHAIUSA-N 1 2 276.380 1.584 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccccc2F)C1 ZINC001044253359 754195090 /nfs/dbraw/zinc/19/50/90/754195090.db2.gz CAHAJTHWHYYKPW-UHFFFAOYSA-N 1 2 262.328 1.697 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cccs1)CCO2 ZINC001053136624 754203042 /nfs/dbraw/zinc/20/30/42/754203042.db2.gz ZAPRRCCXTMUUJS-UHFFFAOYSA-N 1 2 292.404 1.851 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(CC)nc1C1CC1 ZINC001038299603 754289232 /nfs/dbraw/zinc/28/92/32/754289232.db2.gz DNRUNPXEKNVLFR-ZDUSSCGKSA-N 1 2 286.379 1.218 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(CC)nc1C1CC1 ZINC001038299603 754289243 /nfs/dbraw/zinc/28/92/43/754289243.db2.gz DNRUNPXEKNVLFR-ZDUSSCGKSA-N 1 2 286.379 1.218 20 30 CDEDLO N#CC[C@@H](O)C[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000931796175 754302414 /nfs/dbraw/zinc/30/24/14/754302414.db2.gz DTXFTFKXDDESCD-CZUORRHYSA-N 1 2 282.347 1.632 20 30 CDEDLO N#CC[C@@H](O)C[N@H+]1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000931796175 754302419 /nfs/dbraw/zinc/30/24/19/754302419.db2.gz DTXFTFKXDDESCD-CZUORRHYSA-N 1 2 282.347 1.632 20 30 CDEDLO C=C(C)CC[NH+]1CC(NC(=O)c2snnc2C2CC2)C1 ZINC001030477273 754316445 /nfs/dbraw/zinc/31/64/45/754316445.db2.gz ZJJBJTDBEXSQEF-UHFFFAOYSA-N 1 2 292.408 1.796 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000776041844 754334858 /nfs/dbraw/zinc/33/48/58/754334858.db2.gz NYKROGQTOLDLRP-KGLIPLIRSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000776041844 754334864 /nfs/dbraw/zinc/33/48/64/754334864.db2.gz NYKROGQTOLDLRP-KGLIPLIRSA-N 1 2 283.416 1.751 20 30 CDEDLO C#CCOCCNC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000784254706 754352231 /nfs/dbraw/zinc/35/22/31/754352231.db2.gz NSWDXLHRHXLFBX-UHFFFAOYSA-N 1 2 291.351 1.156 20 30 CDEDLO CCOc1cc(F)ccc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000819414251 754382844 /nfs/dbraw/zinc/38/28/44/754382844.db2.gz ATMOQCYBILWKPX-CYBMUJFWSA-N 1 2 295.358 1.843 20 30 CDEDLO CCOc1cc(F)ccc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000819414251 754382849 /nfs/dbraw/zinc/38/28/49/754382849.db2.gz ATMOQCYBILWKPX-CYBMUJFWSA-N 1 2 295.358 1.843 20 30 CDEDLO CC(=[NH+]NC1=NC[C@@H](C)N1)c1c(C)cc(N)cc1C ZINC000884447631 754410910 /nfs/dbraw/zinc/41/09/10/754410910.db2.gz DUAJOXIQKLADMB-SNVBAGLBSA-N 1 2 259.357 1.547 20 30 CDEDLO CCOC(=O)[C@@H](C)[N@H+](CCO[C@@H](C)C#N)C1CC1 ZINC000801950091 754466133 /nfs/dbraw/zinc/46/61/33/754466133.db2.gz VASIKXKXAZOVHA-WDEREUQCSA-N 1 2 254.330 1.331 20 30 CDEDLO CCOC(=O)[C@@H](C)[N@@H+](CCO[C@@H](C)C#N)C1CC1 ZINC000801950091 754466142 /nfs/dbraw/zinc/46/61/42/754466142.db2.gz VASIKXKXAZOVHA-WDEREUQCSA-N 1 2 254.330 1.331 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)cc1C ZINC001032597418 754438383 /nfs/dbraw/zinc/43/83/83/754438383.db2.gz PWIAADNRYHEGFH-GJZGRUSLSA-N 1 2 298.386 1.926 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)cc1C ZINC001032597418 754438385 /nfs/dbraw/zinc/43/83/85/754438385.db2.gz PWIAADNRYHEGFH-GJZGRUSLSA-N 1 2 298.386 1.926 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(C)[nH]c2=O)C1 ZINC001031012702 754441261 /nfs/dbraw/zinc/44/12/61/754441261.db2.gz DWVIZYFITIMGIA-UHFFFAOYSA-N 1 2 261.325 1.086 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)c(F)c1 ZINC001038364748 754545197 /nfs/dbraw/zinc/54/51/97/754545197.db2.gz XFCHDBKSDZHGTF-GFCCVEGCSA-N 1 2 276.311 1.272 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)c(F)c1 ZINC001038364748 754545202 /nfs/dbraw/zinc/54/52/02/754545202.db2.gz XFCHDBKSDZHGTF-GFCCVEGCSA-N 1 2 276.311 1.272 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1-n1cccn1 ZINC001038741933 754550889 /nfs/dbraw/zinc/55/08/89/754550889.db2.gz ZEYNTKBKUKWNAW-AWEZNQCLSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1-n1cccn1 ZINC001038741933 754550893 /nfs/dbraw/zinc/55/08/93/754550893.db2.gz ZEYNTKBKUKWNAW-AWEZNQCLSA-N 1 2 294.358 1.310 20 30 CDEDLO C#Cc1cccc(N(C)C(=O)CCc2c[nH]c[nH+]2)c1 ZINC000193147477 754594584 /nfs/dbraw/zinc/59/45/84/754594584.db2.gz KTBYDKKHCCCIED-UHFFFAOYSA-N 1 2 253.305 1.987 20 30 CDEDLO C#Cc1cccc(N(C)C(=O)CCc2c[nH+]c[nH]2)c1 ZINC000193147477 754594593 /nfs/dbraw/zinc/59/45/93/754594593.db2.gz KTBYDKKHCCCIED-UHFFFAOYSA-N 1 2 253.305 1.987 20 30 CDEDLO Cc1ncc(CO[NH+]=C(N)Cc2cccnc2)s1 ZINC000092914577 754608612 /nfs/dbraw/zinc/60/86/12/754608612.db2.gz RIGMDOLTOXEAEZ-UHFFFAOYSA-N 1 2 262.338 1.878 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(Cl)ncc2F)CC1 ZINC000931345036 754610326 /nfs/dbraw/zinc/61/03/26/754610326.db2.gz YQKUFXPBPMHCTO-UHFFFAOYSA-N 1 2 295.745 1.655 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(N2CCCC2)ccn1 ZINC001038478819 754626764 /nfs/dbraw/zinc/62/67/64/754626764.db2.gz MSJOMLTWMMVPCN-OAHLLOKOSA-N 1 2 298.390 1.119 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(N2CCCC2)ccn1 ZINC001038478819 754626771 /nfs/dbraw/zinc/62/67/71/754626771.db2.gz MSJOMLTWMMVPCN-OAHLLOKOSA-N 1 2 298.390 1.119 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(F)c2OCC)C1 ZINC001031155454 754648875 /nfs/dbraw/zinc/64/88/75/754648875.db2.gz NEBNJSWAFGRSOM-UHFFFAOYSA-N 1 2 290.338 1.662 20 30 CDEDLO CN(C)c1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1F ZINC000872241354 754652873 /nfs/dbraw/zinc/65/28/73/754652873.db2.gz CLHFBBAJMISUMX-CYBMUJFWSA-N 1 2 294.374 1.510 20 30 CDEDLO CN(C)c1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1F ZINC000872241354 754652883 /nfs/dbraw/zinc/65/28/83/754652883.db2.gz CLHFBBAJMISUMX-CYBMUJFWSA-N 1 2 294.374 1.510 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncnc1C(C)C ZINC001039035156 754674823 /nfs/dbraw/zinc/67/48/23/754674823.db2.gz YYFNYRAIIFMAHP-CYBMUJFWSA-N 1 2 286.379 1.427 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cncnc1C(C)C ZINC001039035156 754674829 /nfs/dbraw/zinc/67/48/29/754674829.db2.gz YYFNYRAIIFMAHP-CYBMUJFWSA-N 1 2 286.379 1.427 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NCC1(O)CCOCC1 ZINC000853270458 754745593 /nfs/dbraw/zinc/74/55/93/754745593.db2.gz XSSFNZAUJWUCLI-UHFFFAOYSA-N 1 2 290.363 1.827 20 30 CDEDLO C#CC[C@H](CCOC)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000863789039 754752258 /nfs/dbraw/zinc/75/22/58/754752258.db2.gz WHCODUMAYSXBHA-CQSZACIVSA-N 1 2 299.374 1.730 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccoc1)CCO2 ZINC001053156027 754775577 /nfs/dbraw/zinc/77/55/77/754775577.db2.gz UAQPTJCNCMQCJU-UHFFFAOYSA-N 1 2 276.336 1.383 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)CCCCCC#N ZINC000928647791 754793227 /nfs/dbraw/zinc/79/32/27/754793227.db2.gz MMENJKVNLWDXSE-AWEZNQCLSA-N 1 2 281.400 1.687 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)[nH]nc1C(C)C ZINC001038904893 754802790 /nfs/dbraw/zinc/80/27/90/754802790.db2.gz YERVJRUXTZJJDL-ZDUSSCGKSA-N 1 2 288.395 1.669 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)[nH]nc1C(C)C ZINC001038904893 754802794 /nfs/dbraw/zinc/80/27/94/754802794.db2.gz YERVJRUXTZJJDL-ZDUSSCGKSA-N 1 2 288.395 1.669 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)n[nH]c1C(C)C ZINC001038904893 754802795 /nfs/dbraw/zinc/80/27/95/754802795.db2.gz YERVJRUXTZJJDL-ZDUSSCGKSA-N 1 2 288.395 1.669 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)n[nH]c1C(C)C ZINC001038904893 754802797 /nfs/dbraw/zinc/80/27/97/754802797.db2.gz YERVJRUXTZJJDL-ZDUSSCGKSA-N 1 2 288.395 1.669 20 30 CDEDLO C#C[C@H]([NH2+]Cc1nccn1CC(F)(F)F)[C@@H]1CCCO1 ZINC000775348121 754806528 /nfs/dbraw/zinc/80/65/28/754806528.db2.gz IXVBTZFCXLPAMK-QWRGUYRKSA-N 1 2 287.285 1.716 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc2ccccc2o1 ZINC001032551615 754831687 /nfs/dbraw/zinc/83/16/87/754831687.db2.gz YSTJUJXYIQGCJH-GJZGRUSLSA-N 1 2 294.354 1.894 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc2ccccc2o1 ZINC001032551615 754831688 /nfs/dbraw/zinc/83/16/88/754831688.db2.gz YSTJUJXYIQGCJH-GJZGRUSLSA-N 1 2 294.354 1.894 20 30 CDEDLO C[NH+]1CCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000790097062 754872419 /nfs/dbraw/zinc/87/24/19/754872419.db2.gz NKDJIEQSGFPQSX-UHFFFAOYSA-N 1 2 296.292 1.831 20 30 CDEDLO C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1[nH]c[nH+]c1C ZINC001032753744 754890646 /nfs/dbraw/zinc/89/06/46/754890646.db2.gz KXLYWPIJVIWYFC-RYUDHWBXSA-N 1 2 294.786 1.298 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)c(F)c1 ZINC001032446762 754890937 /nfs/dbraw/zinc/89/09/37/754890937.db2.gz KJPDESSSPIJWPA-RYUDHWBXSA-N 1 2 276.286 1.497 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)c(F)c1 ZINC001032446762 754890941 /nfs/dbraw/zinc/89/09/41/754890941.db2.gz KJPDESSSPIJWPA-RYUDHWBXSA-N 1 2 276.286 1.497 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(CC2CC2)c1 ZINC001038897056 754894129 /nfs/dbraw/zinc/89/41/29/754894129.db2.gz FHRIBVAIGFPBED-OAHLLOKOSA-N 1 2 286.379 1.121 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(CC2CC2)c1 ZINC001038897056 754894131 /nfs/dbraw/zinc/89/41/31/754894131.db2.gz FHRIBVAIGFPBED-OAHLLOKOSA-N 1 2 286.379 1.121 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2c(F)cccc2F)C1 ZINC001030865832 754907087 /nfs/dbraw/zinc/90/70/87/754907087.db2.gz ZAULDODYDCWSSV-UHFFFAOYSA-N 1 2 280.318 1.884 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001075820216 754928340 /nfs/dbraw/zinc/92/83/40/754928340.db2.gz SEQDBDCIKPVHCS-AEJSXWLSSA-N 1 2 280.265 1.606 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001075820216 754928349 /nfs/dbraw/zinc/92/83/49/754928349.db2.gz SEQDBDCIKPVHCS-AEJSXWLSSA-N 1 2 280.265 1.606 20 30 CDEDLO Cc1ccc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1C#N ZINC000836860368 754942222 /nfs/dbraw/zinc/94/22/22/754942222.db2.gz JMOCBQLPSMLGQC-IYBDPMFKSA-N 1 2 299.374 1.460 20 30 CDEDLO Cc1ccc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1C#N ZINC000836860368 754942226 /nfs/dbraw/zinc/94/22/26/754942226.db2.gz JMOCBQLPSMLGQC-IYBDPMFKSA-N 1 2 299.374 1.460 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccc(C)o1 ZINC001018043414 754972156 /nfs/dbraw/zinc/97/21/56/754972156.db2.gz PRFSVFPSBLJUII-KFWWJZLASA-N 1 2 286.375 2.000 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccc(C)o1 ZINC001018043414 754972160 /nfs/dbraw/zinc/97/21/60/754972160.db2.gz PRFSVFPSBLJUII-KFWWJZLASA-N 1 2 286.375 2.000 20 30 CDEDLO CC[C@@H](F)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C#N)c[nH]1 ZINC001032338002 755003921 /nfs/dbraw/zinc/00/39/21/755003921.db2.gz MBVPRLAMLLYDSG-AGIUHOORSA-N 1 2 290.342 1.533 20 30 CDEDLO CC[C@@H](F)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C#N)c[nH]1 ZINC001032338002 755003923 /nfs/dbraw/zinc/00/39/23/755003923.db2.gz MBVPRLAMLLYDSG-AGIUHOORSA-N 1 2 290.342 1.533 20 30 CDEDLO C#C[C@H](CC)NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000854070457 755007137 /nfs/dbraw/zinc/00/71/37/755007137.db2.gz NSZSNMCOCCGRKO-CHWSQXEVSA-N 1 2 260.341 1.641 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001050812368 755031687 /nfs/dbraw/zinc/03/16/87/755031687.db2.gz JBRSSWRMOSUSQW-CABCVRRESA-N 1 2 278.396 1.736 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001050812368 755031692 /nfs/dbraw/zinc/03/16/92/755031692.db2.gz JBRSSWRMOSUSQW-CABCVRRESA-N 1 2 278.396 1.736 20 30 CDEDLO C[C@H](C#N)OCC[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000801909899 755032491 /nfs/dbraw/zinc/03/24/91/755032491.db2.gz HRYDIVTUCXHQJQ-CQSZACIVSA-N 1 2 294.399 1.139 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1n[nH]c2c1CCCC2 ZINC001038452478 755038351 /nfs/dbraw/zinc/03/83/51/755038351.db2.gz RLPBQERPCHFQQF-GFCCVEGCSA-N 1 2 286.379 1.116 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1n[nH]c2c1CCCC2 ZINC001038452478 755038355 /nfs/dbraw/zinc/03/83/55/755038355.db2.gz RLPBQERPCHFQQF-GFCCVEGCSA-N 1 2 286.379 1.116 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cn(C)nn2)CC[C@H]1C ZINC001071467548 755054269 /nfs/dbraw/zinc/05/42/69/755054269.db2.gz TUKCKAMFVRZZTI-MNOVXSKESA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)nn2)CC[C@H]1C ZINC001071467548 755054271 /nfs/dbraw/zinc/05/42/71/755054271.db2.gz TUKCKAMFVRZZTI-MNOVXSKESA-N 1 2 297.790 1.150 20 30 CDEDLO CCOc1ccccc1N1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000809571199 755061187 /nfs/dbraw/zinc/06/11/87/755061187.db2.gz KVGCZPAEVBNQPK-CQSZACIVSA-N 1 2 289.379 1.482 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](Cc2noc3c2COCC3)C1 ZINC000930922975 755080854 /nfs/dbraw/zinc/08/08/54/755080854.db2.gz MQRJXBHFAUAMNR-NSHDSACASA-N 1 2 261.325 1.873 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](Cc2noc3c2COCC3)C1 ZINC000930922975 755080858 /nfs/dbraw/zinc/08/08/58/755080858.db2.gz MQRJXBHFAUAMNR-NSHDSACASA-N 1 2 261.325 1.873 20 30 CDEDLO C=CCN1CCN(C[N@@H+](C)CC2=CCSC2)C1=O ZINC000853620047 755097854 /nfs/dbraw/zinc/09/78/54/755097854.db2.gz KGJLYEMECJKERE-UHFFFAOYSA-N 1 2 267.398 1.473 20 30 CDEDLO C=CCN1CCN(C[N@H+](C)CC2=CCSC2)C1=O ZINC000853620047 755097859 /nfs/dbraw/zinc/09/78/59/755097859.db2.gz KGJLYEMECJKERE-UHFFFAOYSA-N 1 2 267.398 1.473 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[C@H]2OC)C1 ZINC001044356583 755158674 /nfs/dbraw/zinc/15/86/74/755158674.db2.gz XRFJLLDTWCUQBQ-HUUCEWRRSA-N 1 2 280.412 1.910 20 30 CDEDLO CON=CC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927080046 755169139 /nfs/dbraw/zinc/16/91/39/755169139.db2.gz XXWGYZARXRIAPR-UHFFFAOYSA-N 1 2 262.313 1.117 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC001016425443 755209252 /nfs/dbraw/zinc/20/92/52/755209252.db2.gz UUOZCMTZKVRIEN-JTQLQIEISA-N 1 2 268.748 1.275 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC001016425443 755209261 /nfs/dbraw/zinc/20/92/61/755209261.db2.gz UUOZCMTZKVRIEN-JTQLQIEISA-N 1 2 268.748 1.275 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CC3CC3)C[C@H]21 ZINC001074137151 755212046 /nfs/dbraw/zinc/21/20/46/755212046.db2.gz NFTKEZPMRGUQGG-HUUCEWRRSA-N 1 2 278.396 1.664 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CC3CC3)C[C@H]21 ZINC001074137151 755212058 /nfs/dbraw/zinc/21/20/58/755212058.db2.gz NFTKEZPMRGUQGG-HUUCEWRRSA-N 1 2 278.396 1.664 20 30 CDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1c[nH+]cn1C ZINC000847052864 755224824 /nfs/dbraw/zinc/22/48/24/755224824.db2.gz PCFNNFZSFBOCJW-GFCCVEGCSA-N 1 2 282.347 1.787 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001010458905 755298930 /nfs/dbraw/zinc/29/89/30/755298930.db2.gz XZSVPZOYKGSRIE-JTQLQIEISA-N 1 2 281.743 1.344 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001010458905 755298939 /nfs/dbraw/zinc/29/89/39/755298939.db2.gz XZSVPZOYKGSRIE-JTQLQIEISA-N 1 2 281.743 1.344 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccco1 ZINC001017304732 755319081 /nfs/dbraw/zinc/31/90/81/755319081.db2.gz MRSFPOXBJAKMOA-BETUJISGSA-N 1 2 258.321 1.592 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccco1 ZINC001017304732 755319087 /nfs/dbraw/zinc/31/90/87/755319087.db2.gz MRSFPOXBJAKMOA-BETUJISGSA-N 1 2 258.321 1.592 20 30 CDEDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2ccc(F)c(C#N)c2)C1 ZINC000805469684 755358358 /nfs/dbraw/zinc/35/83/58/755358358.db2.gz OJTIGPGQSUMXGA-AWEZNQCLSA-N 1 2 292.310 1.461 20 30 CDEDLO CC[N@H+]1CCO[C@H](C(=O)OCc2ccc(F)c(C#N)c2)C1 ZINC000805469684 755358364 /nfs/dbraw/zinc/35/83/64/755358364.db2.gz OJTIGPGQSUMXGA-AWEZNQCLSA-N 1 2 292.310 1.461 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)C1CC1)C[C@H](C)O2 ZINC001071116293 755397433 /nfs/dbraw/zinc/39/74/33/755397433.db2.gz MDLJOLPNBGMWGW-WFASDCNBSA-N 1 2 298.814 1.841 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C1CC1)C[C@H](C)O2 ZINC001071116293 755397435 /nfs/dbraw/zinc/39/74/35/755397435.db2.gz MDLJOLPNBGMWGW-WFASDCNBSA-N 1 2 298.814 1.841 20 30 CDEDLO C#C[C@@](C)(CC)[NH2+]Cc1nnnn1Cc1ccccc1 ZINC000852098732 755420045 /nfs/dbraw/zinc/42/00/45/755420045.db2.gz UROOCSVISSRLRG-HNNXBMFYSA-N 1 2 269.352 1.613 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccnc(C)c1 ZINC001051179849 755482637 /nfs/dbraw/zinc/48/26/37/755482637.db2.gz YENZREXRFHPZEB-OAHLLOKOSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccnc(C)c1 ZINC001051179849 755482643 /nfs/dbraw/zinc/48/26/43/755482643.db2.gz YENZREXRFHPZEB-OAHLLOKOSA-N 1 2 289.379 1.397 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C)cn1 ZINC001017322786 755494194 /nfs/dbraw/zinc/49/41/94/755494194.db2.gz ZOSXPIMMCPRVIN-OKILXGFUSA-N 1 2 284.363 1.097 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C)cn1 ZINC001017322786 755494200 /nfs/dbraw/zinc/49/42/00/755494200.db2.gz ZOSXPIMMCPRVIN-OKILXGFUSA-N 1 2 284.363 1.097 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001050812371 755508060 /nfs/dbraw/zinc/50/80/60/755508060.db2.gz JBRSSWRMOSUSQW-LSDHHAIUSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001050812371 755508066 /nfs/dbraw/zinc/50/80/66/755508066.db2.gz JBRSSWRMOSUSQW-LSDHHAIUSA-N 1 2 278.396 1.736 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2c(F)cccc2Cl)C1 ZINC001031302983 755525423 /nfs/dbraw/zinc/52/54/23/755525423.db2.gz KWFRSQFPWPRYLK-UHFFFAOYSA-N 1 2 294.757 1.845 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)C#Cc2cccs2)[C@H](C)CO1 ZINC000855406540 755528952 /nfs/dbraw/zinc/52/89/52/755528952.db2.gz FGGJUJZLJBTJRU-CHWSQXEVSA-N 1 2 292.404 1.325 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)C#Cc2cccs2)[C@H](C)CO1 ZINC000855406540 755528963 /nfs/dbraw/zinc/52/89/63/755528963.db2.gz FGGJUJZLJBTJRU-CHWSQXEVSA-N 1 2 292.404 1.325 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@]1(C)C(C)C ZINC001018121974 755550018 /nfs/dbraw/zinc/55/00/18/755550018.db2.gz DEXZHMPRPILWSD-JYYAWHABSA-N 1 2 274.408 1.977 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@]1(C)C(C)C ZINC001018121974 755550041 /nfs/dbraw/zinc/55/00/41/755550041.db2.gz DEXZHMPRPILWSD-JYYAWHABSA-N 1 2 274.408 1.977 20 30 CDEDLO C#CCNC(=O)CCNc1ccc([NH+](C)C)c(C)c1 ZINC000819409076 755563167 /nfs/dbraw/zinc/56/31/67/755563167.db2.gz VFZVVQNVHISLMZ-UHFFFAOYSA-N 1 2 259.353 1.612 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cn(C)nc2C)C1 ZINC001014753180 755615556 /nfs/dbraw/zinc/61/55/56/755615556.db2.gz OMMUIFHYFLNYOG-ZDUSSCGKSA-N 1 2 296.802 1.214 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cn(C)nc2C)C1 ZINC001014753180 755615565 /nfs/dbraw/zinc/61/55/65/755615565.db2.gz OMMUIFHYFLNYOG-ZDUSSCGKSA-N 1 2 296.802 1.214 20 30 CDEDLO Cc1nc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)c(C)o1 ZINC000971209273 755635067 /nfs/dbraw/zinc/63/50/67/755635067.db2.gz BZGMRUADOWRINH-MFKMUULPSA-N 1 2 290.367 1.484 20 30 CDEDLO Cc1nc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)c(C)o1 ZINC000971209273 755635075 /nfs/dbraw/zinc/63/50/75/755635075.db2.gz BZGMRUADOWRINH-MFKMUULPSA-N 1 2 290.367 1.484 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CC1 ZINC001017454546 755640122 /nfs/dbraw/zinc/64/01/22/755640122.db2.gz JAXNBVBFNQOFSX-AEGPPILISA-N 1 2 260.381 1.731 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CC1 ZINC001017454546 755640123 /nfs/dbraw/zinc/64/01/23/755640123.db2.gz JAXNBVBFNQOFSX-AEGPPILISA-N 1 2 260.381 1.731 20 30 CDEDLO C[C@@H]1CN(CC#N)CC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000942183985 755670281 /nfs/dbraw/zinc/67/02/81/755670281.db2.gz PPQVSSKDVSRJAQ-YPMHNXCESA-N 1 2 297.362 1.527 20 30 CDEDLO O=C(C#CC1CC1)N1CC2(C1)CC[N@H+](Cc1ccon1)C2 ZINC001072718617 755716432 /nfs/dbraw/zinc/71/64/32/755716432.db2.gz FUQJKIFAVPYPEZ-UHFFFAOYSA-N 1 2 285.347 1.122 20 30 CDEDLO O=C(C#CC1CC1)N1CC2(C1)CC[N@@H+](Cc1ccon1)C2 ZINC001072718617 755716438 /nfs/dbraw/zinc/71/64/38/755716438.db2.gz FUQJKIFAVPYPEZ-UHFFFAOYSA-N 1 2 285.347 1.122 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(F)F)[C@@H]2C1 ZINC001075484286 755717858 /nfs/dbraw/zinc/71/78/58/755717858.db2.gz DIAKDKIPLBXFSH-VHSXEESVSA-N 1 2 278.730 1.927 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C(C)(F)F)[C@@H]2C1 ZINC001075484286 755717852 /nfs/dbraw/zinc/71/78/52/755717852.db2.gz DIAKDKIPLBXFSH-VHSXEESVSA-N 1 2 278.730 1.927 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001054977110 755729790 /nfs/dbraw/zinc/72/97/90/755729790.db2.gz UHOSHRJSBRFICO-ZYHUDNBSSA-N 1 2 292.383 1.527 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccco1)CO2 ZINC001053963744 755760474 /nfs/dbraw/zinc/76/04/74/755760474.db2.gz TVYDYQGWVXTDPP-CYBMUJFWSA-N 1 2 290.363 1.358 20 30 CDEDLO C#CC[C@@H]([NH2+]C1CCC2(CCCO2)CC1)C(=O)OC ZINC000839170223 755816803 /nfs/dbraw/zinc/81/68/03/755816803.db2.gz XVHYYCKMIAZRBA-JVWICGRDSA-N 1 2 265.353 1.633 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC12CC2 ZINC001032474357 755836223 /nfs/dbraw/zinc/83/62/23/755836223.db2.gz VSZCOUCWKWZJAR-IHRRRGAJSA-N 1 2 258.365 1.485 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC12CC2 ZINC001032474357 755836226 /nfs/dbraw/zinc/83/62/26/755836226.db2.gz VSZCOUCWKWZJAR-IHRRRGAJSA-N 1 2 258.365 1.485 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C2CC2)on1 ZINC001038570319 755840007 /nfs/dbraw/zinc/84/00/07/755840007.db2.gz LRMGTQVRDYVZIG-GFCCVEGCSA-N 1 2 273.336 1.379 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C2CC2)on1 ZINC001038570319 755840010 /nfs/dbraw/zinc/84/00/10/755840010.db2.gz LRMGTQVRDYVZIG-GFCCVEGCSA-N 1 2 273.336 1.379 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ncccc2F)C1 ZINC001035556720 755848407 /nfs/dbraw/zinc/84/84/07/755848407.db2.gz FHPIFFFBHRQVRT-LBPRGKRZSA-N 1 2 293.342 1.227 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ncccc2F)C1 ZINC001035556720 755848412 /nfs/dbraw/zinc/84/84/12/755848412.db2.gz FHPIFFFBHRQVRT-LBPRGKRZSA-N 1 2 293.342 1.227 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H](N(C)CC#N)C1 ZINC001027611960 755854698 /nfs/dbraw/zinc/85/46/98/755854698.db2.gz YTPYLUGQXDZFNR-GXTWGEPZSA-N 1 2 289.383 1.035 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](N(C)CC#N)C1 ZINC001027611960 755854704 /nfs/dbraw/zinc/85/47/04/755854704.db2.gz YTPYLUGQXDZFNR-GXTWGEPZSA-N 1 2 289.383 1.035 20 30 CDEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)CC)C2)CC1 ZINC001051984543 755858255 /nfs/dbraw/zinc/85/82/55/755858255.db2.gz JTBDABOIYOTTQP-HZPDHXFCSA-N 1 2 291.439 1.274 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](Nc2nc(COC)ns2)C1 ZINC000884612580 755863841 /nfs/dbraw/zinc/86/38/41/755863841.db2.gz OXWAYBSGAFYAQB-JTQLQIEISA-N 1 2 266.370 1.194 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](Nc2nc(COC)ns2)C1 ZINC000884612580 755863843 /nfs/dbraw/zinc/86/38/43/755863843.db2.gz OXWAYBSGAFYAQB-JTQLQIEISA-N 1 2 266.370 1.194 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2cc(C)ccn12 ZINC001038300729 755867579 /nfs/dbraw/zinc/86/75/79/755867579.db2.gz NTXVVYZRHFUEHC-CQSZACIVSA-N 1 2 296.374 1.470 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2cc(C)ccn12 ZINC001038300729 755867583 /nfs/dbraw/zinc/86/75/83/755867583.db2.gz NTXVVYZRHFUEHC-CQSZACIVSA-N 1 2 296.374 1.470 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000809640738 755927706 /nfs/dbraw/zinc/92/77/06/755927706.db2.gz LIKSRGZJZXWAQW-SECBINFHSA-N 1 2 267.354 1.970 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C1CC1)C1CC1 ZINC001032722994 755951029 /nfs/dbraw/zinc/95/10/29/755951029.db2.gz NEVQECFBKSCVSH-KBPBESRZSA-N 1 2 258.365 1.341 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C1CC1)C1CC1 ZINC001032722994 755951039 /nfs/dbraw/zinc/95/10/39/755951039.db2.gz NEVQECFBKSCVSH-KBPBESRZSA-N 1 2 258.365 1.341 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccccn2)C1 ZINC001035262207 755960041 /nfs/dbraw/zinc/96/00/41/755960041.db2.gz SUUKQWREJVEWCN-ZDUSSCGKSA-N 1 2 275.352 1.088 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccccn2)C1 ZINC001035262207 755960043 /nfs/dbraw/zinc/96/00/43/755960043.db2.gz SUUKQWREJVEWCN-ZDUSSCGKSA-N 1 2 275.352 1.088 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cocc1C)O2 ZINC001053644660 755990026 /nfs/dbraw/zinc/99/00/26/755990026.db2.gz IGSGEHRKEGWDMH-CYBMUJFWSA-N 1 2 290.363 1.737 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccc(F)cn2)C1 ZINC001043107556 756027891 /nfs/dbraw/zinc/02/78/91/756027891.db2.gz MYCBLUVSLILKCO-UHFFFAOYSA-N 1 2 263.316 1.092 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc([C@@H](C)O)s2)C1 ZINC000923562301 756029038 /nfs/dbraw/zinc/02/90/38/756029038.db2.gz UUTXKABZZXSXAZ-GHMZBOCLSA-N 1 2 293.392 1.024 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc([C@@H](C)O)s2)C1 ZINC000923562301 756029045 /nfs/dbraw/zinc/02/90/45/756029045.db2.gz UUTXKABZZXSXAZ-GHMZBOCLSA-N 1 2 293.392 1.024 20 30 CDEDLO C=CCCC(=O)N1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001070534094 756065214 /nfs/dbraw/zinc/06/52/14/756065214.db2.gz FLPZDTKVZCXBOA-GFCCVEGCSA-N 1 2 290.367 1.026 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C(\C)C3CC3)C[C@@H]21 ZINC001074185111 756069458 /nfs/dbraw/zinc/06/94/58/756069458.db2.gz XHABKNOTYKGGMP-UBHMTTAUSA-N 1 2 290.407 1.830 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C(\C)C3CC3)C[C@@H]21 ZINC001074185111 756069464 /nfs/dbraw/zinc/06/94/64/756069464.db2.gz XHABKNOTYKGGMP-UBHMTTAUSA-N 1 2 290.407 1.830 20 30 CDEDLO CC[C@H]([NH2+]C[C@H](O)CC#N)c1nnc2n1CCCCC2 ZINC000931033720 756096009 /nfs/dbraw/zinc/09/60/09/756096009.db2.gz KNNKPKALAXMGIL-NEPJUHHUSA-N 1 2 277.372 1.320 20 30 CDEDLO N#CCN1CC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001038557328 756103740 /nfs/dbraw/zinc/10/37/40/756103740.db2.gz CLBVRBBYJDRIEX-OAHLLOKOSA-N 1 2 295.346 1.200 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)C1CC1)CO2 ZINC001053768215 756113866 /nfs/dbraw/zinc/11/38/66/756113866.db2.gz WHIQTEWOXRIVJB-GXTWGEPZSA-N 1 2 278.396 1.568 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1[C@H](C)CC ZINC000884148608 756125923 /nfs/dbraw/zinc/12/59/23/756125923.db2.gz PBEVBYDOTRDVOM-HZSPNIEDSA-N 1 2 296.411 1.860 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnoc1CC ZINC001038759897 756189856 /nfs/dbraw/zinc/18/98/56/756189856.db2.gz AZZCDCOBXMJLRD-LLVKDONJSA-N 1 2 261.325 1.064 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnoc1CC ZINC001038759897 756189862 /nfs/dbraw/zinc/18/98/62/756189862.db2.gz AZZCDCOBXMJLRD-LLVKDONJSA-N 1 2 261.325 1.064 20 30 CDEDLO C#CC[NH+]1CCC(NC(=O)C(F)C(F)(F)F)CC1 ZINC000928652518 756218517 /nfs/dbraw/zinc/21/85/17/756218517.db2.gz AUBDHKFOGCUPEL-VIFPVBQESA-N 1 2 266.238 1.101 20 30 CDEDLO C#CC[NH+]1CCC(NC(=O)[C@H](F)C(F)(F)F)CC1 ZINC000928652518 756218539 /nfs/dbraw/zinc/21/85/39/756218539.db2.gz AUBDHKFOGCUPEL-VIFPVBQESA-N 1 2 266.238 1.101 20 30 CDEDLO Cc1[nH+]c(C(C)N=Nc2nc3ccccn3n2)cn1C ZINC000800816542 756238160 /nfs/dbraw/zinc/23/81/60/756238160.db2.gz NCVVFEHDXPTFAU-UHFFFAOYSA-N 1 2 269.312 1.607 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn2c1CCCC2 ZINC001038353310 756279751 /nfs/dbraw/zinc/27/97/51/756279751.db2.gz QYMZYVFBGOVZJJ-CYBMUJFWSA-N 1 2 271.364 1.262 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn2c1CCCC2 ZINC001038353310 756279756 /nfs/dbraw/zinc/27/97/56/756279756.db2.gz QYMZYVFBGOVZJJ-CYBMUJFWSA-N 1 2 271.364 1.262 20 30 CDEDLO CC(C)S(=O)(=O)CCCO[NH+]=C(N)c1ccccc1 ZINC000176938936 756301000 /nfs/dbraw/zinc/30/10/00/756301000.db2.gz XZSBLQNVJZGYES-UHFFFAOYSA-N 1 2 284.381 1.537 20 30 CDEDLO C#CC[NH+]1CC2(C1)CCN(C(=O)C(=O)C(C)(C)C)CC2 ZINC001035671492 756322635 /nfs/dbraw/zinc/32/26/35/756322635.db2.gz QLXXMVHBVKSFQP-UHFFFAOYSA-N 1 2 276.380 1.159 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3(CC)CC3)C[C@@H]21 ZINC001074331467 756328418 /nfs/dbraw/zinc/32/84/18/756328418.db2.gz HQZILARISGGJHJ-LSDHHAIUSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(CC)CC3)C[C@@H]21 ZINC001074331467 756328422 /nfs/dbraw/zinc/32/84/22/756328422.db2.gz HQZILARISGGJHJ-LSDHHAIUSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2c(F)ccc(F)c2F)C1 ZINC000923565982 756337945 /nfs/dbraw/zinc/33/79/45/756337945.db2.gz MJSKCQNLQBVITK-JTQLQIEISA-N 1 2 296.292 1.931 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2c(F)ccc(F)c2F)C1 ZINC000923565982 756337951 /nfs/dbraw/zinc/33/79/51/756337951.db2.gz MJSKCQNLQBVITK-JTQLQIEISA-N 1 2 296.292 1.931 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(C2CCC2)c1 ZINC001038256900 756429418 /nfs/dbraw/zinc/42/94/18/756429418.db2.gz VCFRFDLNSMSYAR-AWEZNQCLSA-N 1 2 272.352 1.045 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(C2CCC2)c1 ZINC001038256900 756429432 /nfs/dbraw/zinc/42/94/32/756429432.db2.gz VCFRFDLNSMSYAR-AWEZNQCLSA-N 1 2 272.352 1.045 20 30 CDEDLO Cc1nc(N(C)C[C@H]2CCCN2C(=O)[C@H](C)C#N)cc[nH+]1 ZINC001067742981 756436518 /nfs/dbraw/zinc/43/65/18/756436518.db2.gz SJPYTWLSJXTIPR-DGCLKSJQSA-N 1 2 287.367 1.372 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1conc1C(C)C ZINC001038339484 756437073 /nfs/dbraw/zinc/43/70/73/756437073.db2.gz HGUBRLPZYZMXHA-LLVKDONJSA-N 1 2 263.341 1.788 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1conc1C(C)C ZINC001038339484 756437081 /nfs/dbraw/zinc/43/70/81/756437081.db2.gz HGUBRLPZYZMXHA-LLVKDONJSA-N 1 2 263.341 1.788 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cn[nH]n3)[C@@H]2C1 ZINC001050083540 756469194 /nfs/dbraw/zinc/46/91/94/756469194.db2.gz JYKGPEOZJFZHBT-CMPLNLGQSA-N 1 2 295.774 1.094 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3cn[nH]n3)[C@@H]2C1 ZINC001050083540 756469210 /nfs/dbraw/zinc/46/92/10/756469210.db2.gz JYKGPEOZJFZHBT-CMPLNLGQSA-N 1 2 295.774 1.094 20 30 CDEDLO C#CC[N@H+](Cc1nc(-c2ccccn2)no1)C(C)C ZINC000932391458 756472617 /nfs/dbraw/zinc/47/26/17/756472617.db2.gz GRGFTBXFEYYZTK-UHFFFAOYSA-N 1 2 256.309 1.975 20 30 CDEDLO C#CC[N@@H+](Cc1nc(-c2ccccn2)no1)C(C)C ZINC000932391458 756472625 /nfs/dbraw/zinc/47/26/25/756472625.db2.gz GRGFTBXFEYYZTK-UHFFFAOYSA-N 1 2 256.309 1.975 20 30 CDEDLO Cn1c[nH+]cc1CCOC(=O)c1ccc(C#N)s1 ZINC000793249328 756509544 /nfs/dbraw/zinc/50/95/44/756509544.db2.gz GZUUJXLABQQDPL-UHFFFAOYSA-N 1 2 261.306 1.753 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[N@@H+]([C@H](C)c2cnccn2)CC1 ZINC000980848789 756550110 /nfs/dbraw/zinc/55/01/10/756550110.db2.gz BRTVIBQEYZCCQQ-CHWSQXEVSA-N 1 2 287.367 1.232 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[N@H+]([C@H](C)c2cnccn2)CC1 ZINC000980848789 756550118 /nfs/dbraw/zinc/55/01/18/756550118.db2.gz BRTVIBQEYZCCQQ-CHWSQXEVSA-N 1 2 287.367 1.232 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000158874970 756552939 /nfs/dbraw/zinc/55/29/39/756552939.db2.gz LCSIIHBDIZGXET-NWDGAFQWSA-N 1 2 270.373 1.786 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000158874970 756552960 /nfs/dbraw/zinc/55/29/60/756552960.db2.gz LCSIIHBDIZGXET-NWDGAFQWSA-N 1 2 270.373 1.786 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCNC(=O)C2(C)C)cc1 ZINC000093084475 756625225 /nfs/dbraw/zinc/62/52/25/756625225.db2.gz OOXCIFOCYBWVFE-GFCCVEGCSA-N 1 2 287.363 1.688 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCNC(=O)C2(C)C)cc1 ZINC000093084475 756625244 /nfs/dbraw/zinc/62/52/44/756625244.db2.gz OOXCIFOCYBWVFE-GFCCVEGCSA-N 1 2 287.363 1.688 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccn3C)[C@@H]2C1 ZINC001075557033 756670707 /nfs/dbraw/zinc/67/07/07/756670707.db2.gz FGSBZPVHABRYNT-GXTWGEPZSA-N 1 2 293.798 1.924 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccn3C)[C@@H]2C1 ZINC001075557033 756670714 /nfs/dbraw/zinc/67/07/14/756670714.db2.gz FGSBZPVHABRYNT-GXTWGEPZSA-N 1 2 293.798 1.924 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ncccn2)C1 ZINC001033993605 756694810 /nfs/dbraw/zinc/69/48/10/756694810.db2.gz ADKOGALVULHNRX-GFCCVEGCSA-N 1 2 294.786 1.766 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ncccn2)C1 ZINC001033993605 756694819 /nfs/dbraw/zinc/69/48/19/756694819.db2.gz ADKOGALVULHNRX-GFCCVEGCSA-N 1 2 294.786 1.766 20 30 CDEDLO CC#CCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897335879 756735605 /nfs/dbraw/zinc/73/56/05/756735605.db2.gz IPPGEICZBPZNBU-ZDUSSCGKSA-N 1 2 260.341 1.320 20 30 CDEDLO CC#CCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000897335879 756735618 /nfs/dbraw/zinc/73/56/18/756735618.db2.gz IPPGEICZBPZNBU-ZDUSSCGKSA-N 1 2 260.341 1.320 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(CCC)[nH]n2)C1 ZINC001033316414 756775170 /nfs/dbraw/zinc/77/51/70/756775170.db2.gz TYMAZQIGDMWPES-CQSZACIVSA-N 1 2 288.395 1.532 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(CCC)[nH]n2)C1 ZINC001033316414 756775173 /nfs/dbraw/zinc/77/51/73/756775173.db2.gz TYMAZQIGDMWPES-CQSZACIVSA-N 1 2 288.395 1.532 20 30 CDEDLO C#Cc1cccc(CNc2cc(NC[C@@H](C)O)[nH+]cn2)c1 ZINC000840311828 756817876 /nfs/dbraw/zinc/81/78/76/756817876.db2.gz KZPUGCXXJYGQAR-GFCCVEGCSA-N 1 2 282.347 1.863 20 30 CDEDLO C#Cc1cccc(CNc2cc(NC[C@@H](C)O)nc[nH+]2)c1 ZINC000840311828 756817877 /nfs/dbraw/zinc/81/78/77/756817877.db2.gz KZPUGCXXJYGQAR-GFCCVEGCSA-N 1 2 282.347 1.863 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2cc(C)n[nH]2)C1 ZINC001032999102 756830837 /nfs/dbraw/zinc/83/08/37/756830837.db2.gz IBPNVPHFRTWCQX-ZDUSSCGKSA-N 1 2 296.802 1.546 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2cc(C)n[nH]2)C1 ZINC001032999102 756830840 /nfs/dbraw/zinc/83/08/40/756830840.db2.gz IBPNVPHFRTWCQX-ZDUSSCGKSA-N 1 2 296.802 1.546 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2cnon2)CC1 ZINC001003817547 756833244 /nfs/dbraw/zinc/83/32/44/756833244.db2.gz MWBJSZVBHQEXCQ-UHFFFAOYSA-N 1 2 270.720 1.016 20 30 CDEDLO C=CCONC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000834936952 756849463 /nfs/dbraw/zinc/84/94/63/756849463.db2.gz GHSRIPSXUFVONT-UHFFFAOYSA-N 1 2 264.329 1.179 20 30 CDEDLO C#CCCOC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000859047704 756849854 /nfs/dbraw/zinc/84/98/54/756849854.db2.gz QWIDESUZBRJUMV-UHFFFAOYSA-N 1 2 271.320 1.935 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCOC3)cc2C1 ZINC001054258536 756870112 /nfs/dbraw/zinc/87/01/12/756870112.db2.gz SQKXSPCRNMZNNL-HNNXBMFYSA-N 1 2 284.359 1.288 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCOC3)cc2C1 ZINC001054258536 756870114 /nfs/dbraw/zinc/87/01/14/756870114.db2.gz SQKXSPCRNMZNNL-HNNXBMFYSA-N 1 2 284.359 1.288 20 30 CDEDLO COC(=O)[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)C(C)(C)C ZINC000886076034 756874295 /nfs/dbraw/zinc/87/42/95/756874295.db2.gz JTEZVJGHTAEBCY-NWDGAFQWSA-N 1 2 282.384 1.609 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)no2)C1 ZINC001009291027 756885295 /nfs/dbraw/zinc/88/52/95/756885295.db2.gz JJLLEXBKJXKRIO-SNVBAGLBSA-N 1 2 281.743 1.546 20 30 CDEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(Cl)no2)C1 ZINC001009291027 756885297 /nfs/dbraw/zinc/88/52/97/756885297.db2.gz JJLLEXBKJXKRIO-SNVBAGLBSA-N 1 2 281.743 1.546 20 30 CDEDLO NC(=[NH+]OCCO[C@@H]1CCCCO1)c1ccccc1 ZINC000194710358 756889496 /nfs/dbraw/zinc/88/94/96/756889496.db2.gz GESOMLXGDPINQM-CYBMUJFWSA-N 1 2 264.325 1.867 20 30 CDEDLO C[C@@H]1C[NH+]=C(NN=Cc2ccc(Oc3cnccn3)cc2)N1 ZINC000779801263 756901173 /nfs/dbraw/zinc/90/11/73/756901173.db2.gz SXKCUZAQFDYLHN-LLVKDONJSA-N 1 2 296.334 1.540 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(CF)cc1 ZINC001039063082 756922746 /nfs/dbraw/zinc/92/27/46/756922746.db2.gz HMKOGCNWIDZFOX-OAHLLOKOSA-N 1 2 274.339 1.984 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(CF)cc1 ZINC001039063082 756922750 /nfs/dbraw/zinc/92/27/50/756922750.db2.gz HMKOGCNWIDZFOX-OAHLLOKOSA-N 1 2 274.339 1.984 20 30 CDEDLO C=CCCCC(=O)O[C@H](COC)C[N@@H+]1CCO[C@@H](C)C1 ZINC000842972596 756941060 /nfs/dbraw/zinc/94/10/60/756941060.db2.gz ZKGZBOMOCWQITL-KBPBESRZSA-N 1 2 285.384 1.622 20 30 CDEDLO C=CCCCC(=O)O[C@H](COC)C[N@H+]1CCO[C@@H](C)C1 ZINC000842972596 756941066 /nfs/dbraw/zinc/94/10/66/756941066.db2.gz ZKGZBOMOCWQITL-KBPBESRZSA-N 1 2 285.384 1.622 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(C2CCC2)c1 ZINC001038241363 756970528 /nfs/dbraw/zinc/97/05/28/756970528.db2.gz OOMBGEDVZNTADB-HNNXBMFYSA-N 1 2 286.379 1.436 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(C2CCC2)c1 ZINC001038241363 756970536 /nfs/dbraw/zinc/97/05/36/756970536.db2.gz OOMBGEDVZNTADB-HNNXBMFYSA-N 1 2 286.379 1.436 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)cc1 ZINC000249268717 757021414 /nfs/dbraw/zinc/02/14/14/757021414.db2.gz IUPTWFDOFBGJGG-DVOMOZLQSA-N 1 2 290.363 1.559 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)cc1 ZINC000249268717 757021428 /nfs/dbraw/zinc/02/14/28/757021428.db2.gz IUPTWFDOFBGJGG-DVOMOZLQSA-N 1 2 290.363 1.559 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001038987449 757264240 /nfs/dbraw/zinc/26/42/40/757264240.db2.gz ZYNBEGSYMASWBE-AWEZNQCLSA-N 1 2 269.348 1.396 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001038987449 757264278 /nfs/dbraw/zinc/26/42/78/757264278.db2.gz ZYNBEGSYMASWBE-AWEZNQCLSA-N 1 2 269.348 1.396 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)c2c(C)n[nH]c2C)C1 ZINC001031115402 757367006 /nfs/dbraw/zinc/36/70/06/757367006.db2.gz FQJWFIRLQKOBCJ-SNVBAGLBSA-N 1 2 276.384 1.507 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnccn2)C1 ZINC001032885177 757399880 /nfs/dbraw/zinc/39/98/80/757399880.db2.gz SYVBBPHLDIAHRB-NSHDSACASA-N 1 2 280.759 1.375 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnccn2)C1 ZINC001032885177 757399890 /nfs/dbraw/zinc/39/98/90/757399890.db2.gz SYVBBPHLDIAHRB-NSHDSACASA-N 1 2 280.759 1.375 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001017920549 757456915 /nfs/dbraw/zinc/45/69/15/757456915.db2.gz SYWSIPYRZFXBJL-MPTYRVRUSA-N 1 2 272.392 1.875 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001017920549 757456918 /nfs/dbraw/zinc/45/69/18/757456918.db2.gz SYWSIPYRZFXBJL-MPTYRVRUSA-N 1 2 272.392 1.875 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn3c2CCCC3)C1 ZINC001044146874 757488096 /nfs/dbraw/zinc/48/80/96/757488096.db2.gz WFSPEZBMWQUHGL-UHFFFAOYSA-N 1 2 288.395 1.552 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccccn3)C[C@@H]21 ZINC001074144468 757496127 /nfs/dbraw/zinc/49/61/27/757496127.db2.gz QJHCLIOFKAYSMV-JKSUJKDBSA-N 1 2 299.374 1.020 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccccn3)C[C@@H]21 ZINC001074144468 757496146 /nfs/dbraw/zinc/49/61/46/757496146.db2.gz QJHCLIOFKAYSMV-JKSUJKDBSA-N 1 2 299.374 1.020 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2ccc(OC)cc2[nH]1 ZINC001038585096 757555695 /nfs/dbraw/zinc/55/56/95/757555695.db2.gz MWTWUGJYHJUKQN-ZDUSSCGKSA-N 1 2 297.358 1.614 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2ccc(OC)cc2[nH]1 ZINC001038585096 757555733 /nfs/dbraw/zinc/55/57/33/757555733.db2.gz MWTWUGJYHJUKQN-ZDUSSCGKSA-N 1 2 297.358 1.614 20 30 CDEDLO C=CCC[NH+]1CC(CNC(=O)c2cncc3nc[nH]c32)C1 ZINC001031687955 757605485 /nfs/dbraw/zinc/60/54/85/757605485.db2.gz SQYBGYUUDOJTGR-UHFFFAOYSA-N 1 2 285.351 1.196 20 30 CDEDLO C#C[C@H]([NH2+]Cc1[nH]nc(C)c1C(=O)OCC)[C@H]1CCCO1 ZINC000851951218 757695338 /nfs/dbraw/zinc/69/53/38/757695338.db2.gz WGWHFHIXEHTYLD-WCQYABFASA-N 1 2 291.351 1.165 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccccc1Cl ZINC001032768585 757722341 /nfs/dbraw/zinc/72/23/41/757722341.db2.gz MNHCMJFIPUWXAG-KBPBESRZSA-N 1 2 288.778 1.801 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccccc1Cl ZINC001032768585 757722367 /nfs/dbraw/zinc/72/23/67/757722367.db2.gz MNHCMJFIPUWXAG-KBPBESRZSA-N 1 2 288.778 1.801 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCC[C@@H]2OC)C1 ZINC001030559728 757804964 /nfs/dbraw/zinc/80/49/64/757804964.db2.gz DHKIWFORXFPKHK-STQMWFEESA-N 1 2 252.358 1.178 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cn(C)nc2C)C1 ZINC001032950741 757854198 /nfs/dbraw/zinc/85/41/98/757854198.db2.gz LNDBCSPGFNHGQV-LBPRGKRZSA-N 1 2 296.802 1.627 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cn(C)nc2C)C1 ZINC001032950741 757854199 /nfs/dbraw/zinc/85/41/99/757854199.db2.gz LNDBCSPGFNHGQV-LBPRGKRZSA-N 1 2 296.802 1.627 20 30 CDEDLO Cc1nc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@@H](C)C#N)co1 ZINC000960501553 757898696 /nfs/dbraw/zinc/89/86/96/757898696.db2.gz KRKNNPUXTZVKKY-FZMZJTMJSA-N 1 2 290.367 1.566 20 30 CDEDLO Cc1nc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@@H](C)C#N)co1 ZINC000960501553 757898698 /nfs/dbraw/zinc/89/86/98/757898698.db2.gz KRKNNPUXTZVKKY-FZMZJTMJSA-N 1 2 290.367 1.566 20 30 CDEDLO C=CCC1(C(=O)NCC[NH2+]Cc2nc(C)no2)CCCC1 ZINC001153813905 1165489581 /nfs/dbraw/zinc/48/95/81/1165489581.db2.gz IIUBQILKPQGQSC-UHFFFAOYSA-N 1 2 292.383 1.720 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)C[C@H]2C)C1 ZINC000923567557 757906654 /nfs/dbraw/zinc/90/66/54/757906654.db2.gz UOXTVEQAFYWLGP-VNHYZAJKSA-N 1 2 276.380 1.206 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)C[C@H]2C)C1 ZINC000923567557 757906688 /nfs/dbraw/zinc/90/66/88/757906688.db2.gz UOXTVEQAFYWLGP-VNHYZAJKSA-N 1 2 276.380 1.206 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2CC[C@H](C)O2)C1 ZINC001043745194 757970484 /nfs/dbraw/zinc/97/04/84/757970484.db2.gz QECWCLNUZRZLNR-WCQYABFASA-N 1 2 252.358 1.273 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cn2c(C)nc3ccccc32)C1 ZINC001030296271 758027862 /nfs/dbraw/zinc/02/78/62/758027862.db2.gz PDINZCIKJJWZBI-UHFFFAOYSA-N 1 2 296.374 1.168 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)SC ZINC001032356747 758144241 /nfs/dbraw/zinc/14/42/41/758144241.db2.gz XTVDNMIWRRHIJT-RWMBFGLXSA-N 1 2 266.410 1.436 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)SC ZINC001032356747 758144254 /nfs/dbraw/zinc/14/42/54/758144254.db2.gz XTVDNMIWRRHIJT-RWMBFGLXSA-N 1 2 266.410 1.436 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCC(C)(C)C#N)C1 ZINC000358623808 758228115 /nfs/dbraw/zinc/22/81/15/758228115.db2.gz DDDZVDNJQHMAEC-LBPRGKRZSA-N 1 2 289.383 1.859 20 30 CDEDLO N#CCc1cccc(NC(=O)NCCCCn2cc[nH+]c2)n1 ZINC000881155490 758275351 /nfs/dbraw/zinc/27/53/51/758275351.db2.gz YOVWNOTYBPAVSM-UHFFFAOYSA-N 1 2 298.350 1.946 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CCC)nc1C ZINC001032700569 758340120 /nfs/dbraw/zinc/34/01/20/758340120.db2.gz RBYZAEUTOAEYPV-KBPBESRZSA-N 1 2 286.379 1.133 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CCC)nc1C ZINC001032700569 758340130 /nfs/dbraw/zinc/34/01/30/758340130.db2.gz RBYZAEUTOAEYPV-KBPBESRZSA-N 1 2 286.379 1.133 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cocn3)C[C@@H]21 ZINC001041972939 758358470 /nfs/dbraw/zinc/35/84/70/758358470.db2.gz QGQYJGQACGMMIN-AAEUAGOBSA-N 1 2 295.770 1.964 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3cocn3)C[C@@H]21 ZINC001041972939 758358484 /nfs/dbraw/zinc/35/84/84/758358484.db2.gz QGQYJGQACGMMIN-AAEUAGOBSA-N 1 2 295.770 1.964 20 30 CDEDLO C#CCN(C(=O)c1cc(-n2cc[nH+]c2)ccc1O)C1CC1 ZINC000821961778 758362905 /nfs/dbraw/zinc/36/29/05/758362905.db2.gz UWSWJURFEQKOAJ-UHFFFAOYSA-N 1 2 281.315 1.816 20 30 CDEDLO C=C[C@@H](C)NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444128765 758448783 /nfs/dbraw/zinc/44/87/83/758448783.db2.gz HBNCWSZTBGHAOZ-NEPJUHHUSA-N 1 2 262.357 1.884 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)c(F)c1F ZINC001032594711 758571034 /nfs/dbraw/zinc/57/10/34/758571034.db2.gz MSHVLWMHMNPHOX-UWVGGRQHSA-N 1 2 294.276 1.636 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)c(F)c1F ZINC001032594711 758571049 /nfs/dbraw/zinc/57/10/49/758571049.db2.gz MSHVLWMHMNPHOX-UWVGGRQHSA-N 1 2 294.276 1.636 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2c(F)ccc(O)c2F)CC1 ZINC000809625893 758673454 /nfs/dbraw/zinc/67/34/54/758673454.db2.gz BRSUELLKAHDNAI-UHFFFAOYSA-N 1 2 294.301 1.452 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C)oc2C)C1 ZINC001042467530 758825063 /nfs/dbraw/zinc/82/50/63/758825063.db2.gz CZQZGWZHOGAAPK-UHFFFAOYSA-N 1 2 260.337 1.676 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2OCc3ccccc32)C1 ZINC001031324096 758831166 /nfs/dbraw/zinc/83/11/66/758831166.db2.gz ALFLMQMCXNCYFF-MRXNPFEDSA-N 1 2 284.359 1.472 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(OC)c1 ZINC001032493388 758831364 /nfs/dbraw/zinc/83/13/64/758831364.db2.gz SCWAFGAHTDKFGZ-KBPBESRZSA-N 1 2 285.347 1.012 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(OC)c1 ZINC001032493388 758831367 /nfs/dbraw/zinc/83/13/67/758831367.db2.gz SCWAFGAHTDKFGZ-KBPBESRZSA-N 1 2 285.347 1.012 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2c(F)cccc2c1 ZINC001038524178 758840422 /nfs/dbraw/zinc/84/04/22/758840422.db2.gz WHTKOAZYBIRYMH-CQSZACIVSA-N 1 2 297.333 1.811 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2c(F)cccc2c1 ZINC001038524178 758840423 /nfs/dbraw/zinc/84/04/23/758840423.db2.gz WHTKOAZYBIRYMH-CQSZACIVSA-N 1 2 297.333 1.811 20 30 CDEDLO N#CCOc1ccc(C[NH+]2CC3(C2)CCCO3)cc1 ZINC001137115509 1165967813 /nfs/dbraw/zinc/96/78/13/1165967813.db2.gz RYWGOVQPTDESCR-UHFFFAOYSA-N 1 2 258.321 1.954 20 30 CDEDLO N#Cc1c2c(cn(C[N@H+]3CCC[C@@H](CF)C3)c1=O)CCC2 ZINC001646173352 1167679437 /nfs/dbraw/zinc/67/94/37/1167679437.db2.gz QHAZQRROBFNAKL-LBPRGKRZSA-N 1 2 289.354 1.848 20 30 CDEDLO N#Cc1c2c(cn(C[N@@H+]3CCC[C@@H](CF)C3)c1=O)CCC2 ZINC001646173352 1167679438 /nfs/dbraw/zinc/67/94/38/1167679438.db2.gz QHAZQRROBFNAKL-LBPRGKRZSA-N 1 2 289.354 1.848 20 30 CDEDLO C#Cc1cccc(Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC001174491784 913165026 /nfs/dbraw/zinc/16/50/26/913165026.db2.gz UKDPZKDACYSDBX-UHFFFAOYSA-N 1 2 296.374 1.940 20 30 CDEDLO C=CCN(CC[NH+]1CC(C(=O)OCC)C1)C(=O)OCC ZINC001209021618 894423127 /nfs/dbraw/zinc/42/31/27/894423127.db2.gz AKUXWBRVSDCULH-UHFFFAOYSA-N 1 2 284.356 1.126 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@]1(C)CCOC1 ZINC001266342449 894455042 /nfs/dbraw/zinc/45/50/42/894455042.db2.gz PARLSUDUGAWDEC-GFCCVEGCSA-N 1 2 260.765 1.214 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@]1(C)CCOC1 ZINC001266342449 894455048 /nfs/dbraw/zinc/45/50/48/894455048.db2.gz PARLSUDUGAWDEC-GFCCVEGCSA-N 1 2 260.765 1.214 20 30 CDEDLO CC(C)(C#N)C(=O)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001143398351 896131368 /nfs/dbraw/zinc/13/13/68/896131368.db2.gz KPCHCERYVSVYIQ-UHFFFAOYSA-N 1 2 299.334 1.354 20 30 CDEDLO C[C@H](CNc1ncccc1C#N)N(C)C(=O)Cn1cc[nH+]c1 ZINC001104599104 898779077 /nfs/dbraw/zinc/77/90/77/898779077.db2.gz VKUONNQRXXMRJC-GFCCVEGCSA-N 1 2 298.350 1.109 20 30 CDEDLO COc1cc(C#N)c(F)cc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001176833339 914292200 /nfs/dbraw/zinc/29/22/00/914292200.db2.gz IUSNAJDYTYVRBQ-UHFFFAOYSA-N 1 2 274.255 1.610 20 30 CDEDLO N#Cc1cc(NC(=O)CCn2cc[nH+]c2)ccc1O ZINC001176878076 914331434 /nfs/dbraw/zinc/33/14/34/914331434.db2.gz BEZHRLJKESVFLL-UHFFFAOYSA-N 1 2 256.265 1.489 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCC=C)C[C@@H]21 ZINC001176954318 914396692 /nfs/dbraw/zinc/39/66/92/914396692.db2.gz ANCDEWHXXVSFJT-LSDHHAIUSA-N 1 2 276.380 1.278 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCC=C)C[C@@H]21 ZINC001176954318 914396707 /nfs/dbraw/zinc/39/67/07/914396707.db2.gz ANCDEWHXXVSFJT-LSDHHAIUSA-N 1 2 276.380 1.278 20 30 CDEDLO C#CCCCCC(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001125935120 900041837 /nfs/dbraw/zinc/04/18/37/900041837.db2.gz SCBXLJBYFYJCAQ-UHFFFAOYSA-N 1 2 278.356 1.031 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)/C(C)=C/CC)C[C@H]21 ZINC001176943856 914418020 /nfs/dbraw/zinc/41/80/20/914418020.db2.gz QKHKYKYXEUHFLA-DJYJQHBUSA-N 1 2 290.407 1.668 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)/C(C)=C/CC)C[C@H]21 ZINC001176943856 914418021 /nfs/dbraw/zinc/41/80/21/914418021.db2.gz QKHKYKYXEUHFLA-DJYJQHBUSA-N 1 2 290.407 1.668 20 30 CDEDLO C=CCCCC(=O)N1CC[C@H]2OCC[N@@H+](CCCO)[C@H]2C1 ZINC001177087709 914488063 /nfs/dbraw/zinc/48/80/63/914488063.db2.gz FVBIBUPKHIERMS-LSDHHAIUSA-N 1 2 296.411 1.027 20 30 CDEDLO C=CCCCC(=O)N1CC[C@H]2OCC[N@H+](CCCO)[C@H]2C1 ZINC001177087709 914488068 /nfs/dbraw/zinc/48/80/68/914488068.db2.gz FVBIBUPKHIERMS-LSDHHAIUSA-N 1 2 296.411 1.027 20 30 CDEDLO C[C@H](C#N)C(=O)NCC1C[NH+](Cc2cc(F)cc(F)c2)C1 ZINC001481618051 901474388 /nfs/dbraw/zinc/47/43/88/901474388.db2.gz XYMZFHSATMQHMI-SNVBAGLBSA-N 1 2 293.317 1.672 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](CCC)OC)C1 ZINC001481639257 901571012 /nfs/dbraw/zinc/57/10/12/901571012.db2.gz XHYMGTCLFLXVIG-GFCCVEGCSA-N 1 2 274.792 1.602 20 30 CDEDLO C=CCO[C@@H](C)C(=O)NCCC[NH2+][C@H](C)c1noc(C)n1 ZINC001177273021 914580789 /nfs/dbraw/zinc/58/07/89/914580789.db2.gz FJELUJXCAGYXBT-MNOVXSKESA-N 1 2 296.371 1.126 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001128241689 921221479 /nfs/dbraw/zinc/22/14/79/921221479.db2.gz BFGNGKBTSQCOMX-UHFFFAOYSA-N 1 2 276.384 1.593 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2cc(C)cn2)[C@H]1C ZINC001088481071 907416836 /nfs/dbraw/zinc/41/68/36/907416836.db2.gz KIPQXBJWAZWNFC-OLZOCXBDSA-N 1 2 296.802 1.523 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2cc(C)cn2)[C@H]1C ZINC001088481071 907416846 /nfs/dbraw/zinc/41/68/46/907416846.db2.gz KIPQXBJWAZWNFC-OLZOCXBDSA-N 1 2 296.802 1.523 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2snnc2CC)[C@H]1C ZINC001088717451 909208539 /nfs/dbraw/zinc/20/85/39/909208539.db2.gz VHUWWCVZVZSKNI-PWSUYJOCSA-N 1 2 292.408 1.316 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2snnc2CC)[C@H]1C ZINC001088717451 909208553 /nfs/dbraw/zinc/20/85/53/909208553.db2.gz VHUWWCVZVZSKNI-PWSUYJOCSA-N 1 2 292.408 1.316 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C1CC1)c1nccn12 ZINC001092337799 909376406 /nfs/dbraw/zinc/37/64/06/909376406.db2.gz BNILYOSUOZEOHX-LBPRGKRZSA-N 1 2 272.352 1.051 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](CC)OC)CC2)C1 ZINC001093516009 909892355 /nfs/dbraw/zinc/89/23/55/909892355.db2.gz CLAAONVRSHMZHZ-HNNXBMFYSA-N 1 2 296.411 1.289 20 30 CDEDLO C=CCCC(=O)N1CCC(OC2C[NH+](CCOC)C2)CC1 ZINC001105696645 910489476 /nfs/dbraw/zinc/48/94/76/910489476.db2.gz ASDIDPDXOUBHQI-UHFFFAOYSA-N 1 2 296.411 1.291 20 30 CDEDLO COC(=O)[C@H](CS)[NH2+][C@@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172767828 911941094 /nfs/dbraw/zinc/94/10/94/911941094.db2.gz LOYDNCDLWPFAAA-AXFHLTTASA-N 1 2 289.397 1.169 20 30 CDEDLO Cc1ccc2c(c1)C[C@@H](N1CC[NH2+]C[C@@H]1C#N)CC2 ZINC001172827081 912003386 /nfs/dbraw/zinc/00/33/86/912003386.db2.gz JIYHWVWIXFOVPZ-HOTGVXAUSA-N 1 2 255.365 1.650 20 30 CDEDLO N#Cc1ccc(CNC(=O)CCc2[nH]cc[nH+]2)cc1F ZINC001177998023 915081179 /nfs/dbraw/zinc/08/11/79/915081179.db2.gz LLQMDUYWMOLEMZ-UHFFFAOYSA-N 1 2 272.283 1.669 20 30 CDEDLO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)C#CC(C)C)[C@H]2C)o1 ZINC001178645706 915543472 /nfs/dbraw/zinc/54/34/72/915543472.db2.gz OXNXXUDIVMSQIH-AAEUAGOBSA-N 1 2 290.367 1.116 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)[C@@H]1C ZINC001178802531 915628571 /nfs/dbraw/zinc/62/85/71/915628571.db2.gz LMIAYDYLCPHNDB-AAEUAGOBSA-N 1 2 292.383 1.813 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC[C@H](OC)C2)C1 ZINC001031791425 915882435 /nfs/dbraw/zinc/88/24/35/915882435.db2.gz IOKJOOGGHYDKOM-STQMWFEESA-N 1 2 286.803 1.602 20 30 CDEDLO C=CCCC(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001124640547 936328225 /nfs/dbraw/zinc/32/82/25/936328225.db2.gz ISLAZZPRTWBJEO-SECBINFHSA-N 1 2 254.359 1.271 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCn2ncc3ccccc32)CC1 ZINC001180059073 916138384 /nfs/dbraw/zinc/13/83/84/916138384.db2.gz YDAZTPNBXNSBIM-UHFFFAOYSA-N 1 2 298.390 1.757 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1OC ZINC001212344576 916392548 /nfs/dbraw/zinc/39/25/48/916392548.db2.gz CPXDTUDILLVKGR-PWNWJAOYSA-N 1 2 286.803 1.911 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1OC ZINC001212344576 916392569 /nfs/dbraw/zinc/39/25/69/916392569.db2.gz CPXDTUDILLVKGR-PWNWJAOYSA-N 1 2 286.803 1.911 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2C2(C)CC2)[C@@H](O)C1 ZINC001083770879 917382516 /nfs/dbraw/zinc/38/25/16/917382516.db2.gz DXEMWNHUNYPQNJ-CVEARBPZSA-N 1 2 298.386 1.146 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C2(C)CC2)[C@@H](O)C1 ZINC001083770879 917382530 /nfs/dbraw/zinc/38/25/30/917382530.db2.gz DXEMWNHUNYPQNJ-CVEARBPZSA-N 1 2 298.386 1.146 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001124488486 917398754 /nfs/dbraw/zinc/39/87/54/917398754.db2.gz PCMVETSMOVWIQY-STQMWFEESA-N 1 2 295.383 1.731 20 30 CDEDLO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1oc(C)nc1C#N ZINC001181993553 917541632 /nfs/dbraw/zinc/54/16/32/917541632.db2.gz LZXXCRJUHFPVQN-NSHDSACASA-N 1 2 262.313 1.668 20 30 CDEDLO CC[N@H+]1CCCC[C@H]1C(=O)Nc1oc(C)nc1C#N ZINC001181993553 917541645 /nfs/dbraw/zinc/54/16/45/917541645.db2.gz LZXXCRJUHFPVQN-NSHDSACASA-N 1 2 262.313 1.668 20 30 CDEDLO C=CCOCCCC(=O)NCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001125253036 918067103 /nfs/dbraw/zinc/06/71/03/918067103.db2.gz VPCICSSLYFXSDO-CYBMUJFWSA-N 1 2 295.383 1.733 20 30 CDEDLO CCN(C(=O)[C@@H](C)c1ccc(C#N)cc1)C1C[NH+](C)C1 ZINC001182792474 918127222 /nfs/dbraw/zinc/12/72/22/918127222.db2.gz FUTFVDFITSATOB-LBPRGKRZSA-N 1 2 271.364 1.824 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)[C@@H]1CC[N@@H+]1C(C)C ZINC001182852351 918182859 /nfs/dbraw/zinc/18/28/59/918182859.db2.gz TXOXLYXIQWLNFG-ZDUSSCGKSA-N 1 2 273.336 1.988 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)[C@@H]1CC[N@H+]1C(C)C ZINC001182852351 918182867 /nfs/dbraw/zinc/18/28/67/918182867.db2.gz TXOXLYXIQWLNFG-ZDUSSCGKSA-N 1 2 273.336 1.988 20 30 CDEDLO C=CCCOCC(=O)NC/C=C\CNc1cc[nH+]c(C)n1 ZINC001107235507 918288651 /nfs/dbraw/zinc/28/86/51/918288651.db2.gz JEPUJDORCPVKFB-WAYWQWQTSA-N 1 2 290.367 1.462 20 30 CDEDLO N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183750949 918680581 /nfs/dbraw/zinc/68/05/81/918680581.db2.gz USCNLMRXBYBTSY-KKUMJFAQSA-N 1 2 287.338 1.723 20 30 CDEDLO N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001183750949 918680591 /nfs/dbraw/zinc/68/05/91/918680591.db2.gz USCNLMRXBYBTSY-KKUMJFAQSA-N 1 2 287.338 1.723 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001107731211 918710105 /nfs/dbraw/zinc/71/01/05/918710105.db2.gz LHUWXUMLCWYCJB-ZBFHGGJFSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001107731211 918710108 /nfs/dbraw/zinc/71/01/08/918710108.db2.gz LHUWXUMLCWYCJB-ZBFHGGJFSA-N 1 2 278.396 1.736 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCCC)C1 ZINC001107740944 918714175 /nfs/dbraw/zinc/71/41/75/918714175.db2.gz CWJKUNBARAUAJN-INIZCTEOSA-N 1 2 280.412 1.797 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCCC)C1 ZINC001107740944 918714180 /nfs/dbraw/zinc/71/41/80/918714180.db2.gz CWJKUNBARAUAJN-INIZCTEOSA-N 1 2 280.412 1.797 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)CC)C1 ZINC001107754888 918743001 /nfs/dbraw/zinc/74/30/01/918743001.db2.gz ZRCVCFDIFQAYGG-UKRRQHHQSA-N 1 2 266.385 1.263 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)CC)C1 ZINC001107754888 918743012 /nfs/dbraw/zinc/74/30/12/918743012.db2.gz ZRCVCFDIFQAYGG-UKRRQHHQSA-N 1 2 266.385 1.263 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccn(C)c2)C1 ZINC001107868297 918937370 /nfs/dbraw/zinc/93/73/70/918937370.db2.gz RFEAANMVEFFGRH-OAHLLOKOSA-N 1 2 277.368 1.032 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccn(C)c2)C1 ZINC001107868297 918937382 /nfs/dbraw/zinc/93/73/82/918937382.db2.gz RFEAANMVEFFGRH-OAHLLOKOSA-N 1 2 277.368 1.032 20 30 CDEDLO C#CCCCC(=O)NC[C@]1(C)C[N@H+](CC#CC)CCO1 ZINC001107902875 919028024 /nfs/dbraw/zinc/02/80/24/919028024.db2.gz NZVIAPBDMUVSOD-MRXNPFEDSA-N 1 2 276.380 1.020 20 30 CDEDLO C#CCCCC(=O)NC[C@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001107902875 919028045 /nfs/dbraw/zinc/02/80/45/919028045.db2.gz NZVIAPBDMUVSOD-MRXNPFEDSA-N 1 2 276.380 1.020 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(C)n(C)n2)C1=O ZINC001272880765 919957521 /nfs/dbraw/zinc/95/75/21/919957521.db2.gz NFANQROYLITOOF-INIZCTEOSA-N 1 2 288.395 1.481 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(C)n(C)n2)C1=O ZINC001272880765 919957536 /nfs/dbraw/zinc/95/75/36/919957536.db2.gz NFANQROYLITOOF-INIZCTEOSA-N 1 2 288.395 1.481 20 30 CDEDLO C=CCn1cc(C[N@H+]2C[C@H](F)C[C@H](CO)C2)cn1 ZINC001139766004 936644790 /nfs/dbraw/zinc/64/47/90/936644790.db2.gz JOYFTNOSCCTPEN-WCQYABFASA-N 1 2 253.321 1.221 20 30 CDEDLO C=CCn1cc(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)cn1 ZINC001139766004 936644792 /nfs/dbraw/zinc/64/47/92/936644792.db2.gz JOYFTNOSCCTPEN-WCQYABFASA-N 1 2 253.321 1.221 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](OC)C2CCC2)C1 ZINC001108101827 922128824 /nfs/dbraw/zinc/12/88/24/922128824.db2.gz SOBXEINLFWHNPL-ZBFHGGJFSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](OC)C2CCC2)C1 ZINC001108101827 922128831 /nfs/dbraw/zinc/12/88/31/922128831.db2.gz SOBXEINLFWHNPL-ZBFHGGJFSA-N 1 2 296.411 1.195 20 30 CDEDLO CC(C)=CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001190870300 922268476 /nfs/dbraw/zinc/26/84/76/922268476.db2.gz DCUOQWBFUKYOLH-HZPDHXFCSA-N 1 2 299.374 1.186 20 30 CDEDLO CC(C)=CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001190870300 922268490 /nfs/dbraw/zinc/26/84/90/922268490.db2.gz DCUOQWBFUKYOLH-HZPDHXFCSA-N 1 2 299.374 1.186 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(CC)s1)C2 ZINC001098483397 936752146 /nfs/dbraw/zinc/75/21/46/936752146.db2.gz UPLAXRQJVDEPBH-UTUOFQBUSA-N 1 2 289.404 1.674 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(CC)s1)C2 ZINC001098483397 936752147 /nfs/dbraw/zinc/75/21/47/936752147.db2.gz UPLAXRQJVDEPBH-UTUOFQBUSA-N 1 2 289.404 1.674 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NC[C@@]1(C)C[N@H+](CC#CC)CCO1 ZINC001108114857 922485840 /nfs/dbraw/zinc/48/58/40/922485840.db2.gz IHGQJQQSSMEXFW-KRWDZBQOSA-N 1 2 292.423 1.819 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NC[C@@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001108114857 922485847 /nfs/dbraw/zinc/48/58/47/922485847.db2.gz IHGQJQQSSMEXFW-KRWDZBQOSA-N 1 2 292.423 1.819 20 30 CDEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1c(F)cccc1F ZINC001117971474 922776319 /nfs/dbraw/zinc/77/63/19/922776319.db2.gz VGMOCZGJPMZOBQ-UHFFFAOYSA-N 1 2 282.290 1.485 20 30 CDEDLO C#CCOCC[N@H+](C)CC(=O)Nc1c(F)cccc1F ZINC001117971474 922776335 /nfs/dbraw/zinc/77/63/35/922776335.db2.gz VGMOCZGJPMZOBQ-UHFFFAOYSA-N 1 2 282.290 1.485 20 30 CDEDLO C#CCC1(C(=O)NCC[NH2+]Cc2nc(C)c(C)o2)CCC1 ZINC001129121078 922925466 /nfs/dbraw/zinc/92/54/66/922925466.db2.gz LWJGWOXBMPWDQJ-UHFFFAOYSA-N 1 2 289.379 1.691 20 30 CDEDLO N#Cc1ccncc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001192967040 923387704 /nfs/dbraw/zinc/38/77/04/923387704.db2.gz ATUPBTBLAGNANS-UHFFFAOYSA-N 1 2 263.260 1.853 20 30 CDEDLO C=CCOC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001194282792 924158465 /nfs/dbraw/zinc/15/84/65/924158465.db2.gz JKWILOIWOLDIGM-HNNXBMFYSA-N 1 2 290.363 1.800 20 30 CDEDLO C=CCOC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001194282792 924158473 /nfs/dbraw/zinc/15/84/73/924158473.db2.gz JKWILOIWOLDIGM-HNNXBMFYSA-N 1 2 290.363 1.800 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2=COCCO2)C1 ZINC001079374287 924281448 /nfs/dbraw/zinc/28/14/48/924281448.db2.gz HSLYFMJZOPXZKL-MWLCHTKSSA-N 1 2 286.759 1.064 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2=COCCO2)C1 ZINC001079374287 924281456 /nfs/dbraw/zinc/28/14/56/924281456.db2.gz HSLYFMJZOPXZKL-MWLCHTKSSA-N 1 2 286.759 1.064 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cscn2)C1 ZINC001079487522 924339591 /nfs/dbraw/zinc/33/95/91/924339591.db2.gz DXJUZHAYYUBWNP-PSASIEDQSA-N 1 2 285.800 1.946 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cscn2)C1 ZINC001079487522 924339600 /nfs/dbraw/zinc/33/96/00/924339600.db2.gz DXJUZHAYYUBWNP-PSASIEDQSA-N 1 2 285.800 1.946 20 30 CDEDLO C=CCCC(=O)N1CCC[N@@H+](Cc2cnc(C)nc2)CC1 ZINC001195225630 924506656 /nfs/dbraw/zinc/50/66/56/924506656.db2.gz HMYAPYGGFCSVCS-UHFFFAOYSA-N 1 2 288.395 1.786 20 30 CDEDLO C=CCCC(=O)N1CCC[N@H+](Cc2cnc(C)nc2)CC1 ZINC001195225630 924506665 /nfs/dbraw/zinc/50/66/65/924506665.db2.gz HMYAPYGGFCSVCS-UHFFFAOYSA-N 1 2 288.395 1.786 20 30 CDEDLO COC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(SC)n1 ZINC001141947819 936957159 /nfs/dbraw/zinc/95/71/59/936957159.db2.gz AMVUVNJBFCRTKA-LBPRGKRZSA-N 1 2 263.366 1.896 20 30 CDEDLO COC[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(SC)n1 ZINC001141947819 936957161 /nfs/dbraw/zinc/95/71/61/936957161.db2.gz AMVUVNJBFCRTKA-LBPRGKRZSA-N 1 2 263.366 1.896 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nccn1C1CC1 ZINC000840742931 936959672 /nfs/dbraw/zinc/95/96/72/936959672.db2.gz LRAWQRSBYDAWHA-LBPRGKRZSA-N 1 2 280.397 1.516 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nccn1C1CC1 ZINC000840742931 936959674 /nfs/dbraw/zinc/95/96/74/936959674.db2.gz LRAWQRSBYDAWHA-LBPRGKRZSA-N 1 2 280.397 1.516 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC3(C)C)[C@H]2C1 ZINC001083167576 925110981 /nfs/dbraw/zinc/11/09/81/925110981.db2.gz TWWBGQCEKJEAIC-SOUVJXGZSA-N 1 2 290.407 1.358 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC3(C)C)[C@H]2C1 ZINC001083167576 925110989 /nfs/dbraw/zinc/11/09/89/925110989.db2.gz TWWBGQCEKJEAIC-SOUVJXGZSA-N 1 2 290.407 1.358 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)CSC)c1nccn12 ZINC001101604018 936993601 /nfs/dbraw/zinc/99/36/01/936993601.db2.gz LCYDNOHEIMBMDY-LLVKDONJSA-N 1 2 292.408 1.004 20 30 CDEDLO N#Cc1cnc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC001199661217 925796186 /nfs/dbraw/zinc/79/61/86/925796186.db2.gz BUKJSBIKDIXERF-UHFFFAOYSA-N 1 2 290.286 1.786 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)no1 ZINC001085484282 926052924 /nfs/dbraw/zinc/05/29/24/926052924.db2.gz ZRQUWBRVBAUDFE-LBPRGKRZSA-N 1 2 261.325 1.153 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)no1 ZINC001085484282 926052933 /nfs/dbraw/zinc/05/29/33/926052933.db2.gz ZRQUWBRVBAUDFE-LBPRGKRZSA-N 1 2 261.325 1.153 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnccc1C ZINC001085529369 926117381 /nfs/dbraw/zinc/11/73/81/926117381.db2.gz WQBBSMRUVXVBDB-ZDUSSCGKSA-N 1 2 257.337 1.170 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnccc1C ZINC001085529369 926117393 /nfs/dbraw/zinc/11/73/93/926117393.db2.gz WQBBSMRUVXVBDB-ZDUSSCGKSA-N 1 2 257.337 1.170 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ocnc1C ZINC001085532687 926123480 /nfs/dbraw/zinc/12/34/80/926123480.db2.gz SEJRNTLDXWXZKS-LBPRGKRZSA-N 1 2 261.325 1.153 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ocnc1C ZINC001085532687 926123483 /nfs/dbraw/zinc/12/34/83/926123483.db2.gz SEJRNTLDXWXZKS-LBPRGKRZSA-N 1 2 261.325 1.153 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OC)ccn1 ZINC001085759492 926369552 /nfs/dbraw/zinc/36/95/52/926369552.db2.gz IRHLYYUCTGUSKL-CYBMUJFWSA-N 1 2 287.363 1.260 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OC)ccn1 ZINC001085759492 926369557 /nfs/dbraw/zinc/36/95/57/926369557.db2.gz IRHLYYUCTGUSKL-CYBMUJFWSA-N 1 2 287.363 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WNTZLVBGGSTBEP-ZDUSSCGKSA-N 1 2 289.379 1.797 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(CCC)on1 ZINC001085901040 926490043 /nfs/dbraw/zinc/49/00/43/926490043.db2.gz WNTZLVBGGSTBEP-ZDUSSCGKSA-N 1 2 289.379 1.797 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001108230119 926579179 /nfs/dbraw/zinc/57/91/79/926579179.db2.gz PAXXMMLZIUPPMA-FMKPAKJESA-N 1 2 278.396 1.263 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001108230119 926579182 /nfs/dbraw/zinc/57/91/82/926579182.db2.gz PAXXMMLZIUPPMA-FMKPAKJESA-N 1 2 278.396 1.263 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001086008522 926598457 /nfs/dbraw/zinc/59/84/57/926598457.db2.gz UBFMLQMWTLYDKV-HZPDHXFCSA-N 1 2 298.386 1.464 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001086008522 926598460 /nfs/dbraw/zinc/59/84/60/926598460.db2.gz UBFMLQMWTLYDKV-HZPDHXFCSA-N 1 2 298.386 1.464 20 30 CDEDLO C#C[C@@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000776473564 927434585 /nfs/dbraw/zinc/43/45/85/927434585.db2.gz BSHZJFRRCKBPFX-GFCCVEGCSA-N 1 2 268.320 1.693 20 30 CDEDLO C[C@H](CNC(=O)Cn1cc[nH+]c1)CNc1ncccc1C#N ZINC001104002545 937184250 /nfs/dbraw/zinc/18/42/50/937184250.db2.gz VBDGGEBWEJHSFH-GFCCVEGCSA-N 1 2 298.350 1.014 20 30 CDEDLO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[NH2+]C[C@@H]1C#N ZINC001156320364 928045601 /nfs/dbraw/zinc/04/56/01/928045601.db2.gz ZEVUTWMQTYDUOS-VIFPVBQESA-N 1 2 297.696 1.453 20 30 CDEDLO C[N@@H+]1CCOC[C@H]1CNc1cnc2c(C#N)c[nH]c2c1 ZINC001169658104 928298848 /nfs/dbraw/zinc/29/88/48/928298848.db2.gz VUURCNNCXUWHGQ-GFCCVEGCSA-N 1 2 271.324 1.177 20 30 CDEDLO C[N@H+]1CCOC[C@H]1CNc1cnc2c(C#N)c[nH]c2c1 ZINC001169658104 928298857 /nfs/dbraw/zinc/29/88/57/928298857.db2.gz VUURCNNCXUWHGQ-GFCCVEGCSA-N 1 2 271.324 1.177 20 30 CDEDLO C[N@@H+]1CCOC[C@H]1CNc1c[nH]c2c(C#N)cnc-2c1 ZINC001169658104 928298870 /nfs/dbraw/zinc/29/88/70/928298870.db2.gz VUURCNNCXUWHGQ-GFCCVEGCSA-N 1 2 271.324 1.177 20 30 CDEDLO C[N@H+]1CCOC[C@H]1CNc1c[nH]c2c(C#N)cnc-2c1 ZINC001169658104 928298883 /nfs/dbraw/zinc/29/88/83/928298883.db2.gz VUURCNNCXUWHGQ-GFCCVEGCSA-N 1 2 271.324 1.177 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169764856 928416054 /nfs/dbraw/zinc/41/60/54/928416054.db2.gz QZYHFPVJMPCALU-HZPDHXFCSA-N 1 2 298.390 1.089 20 30 CDEDLO C=CC[C@@H](Nc1ccc(Cn2cc[nH+]c2)cn1)C(=O)OC ZINC001169836973 928458650 /nfs/dbraw/zinc/45/86/50/928458650.db2.gz SZZRIHMVPARCPU-CYBMUJFWSA-N 1 2 286.335 1.856 20 30 CDEDLO C=CCOC[C@@H](O)C[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC001252486037 928655764 /nfs/dbraw/zinc/65/57/64/928655764.db2.gz RJPGIXXWMSZYFQ-QWHCGFSZSA-N 1 2 287.400 1.506 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C#N)C2 ZINC001109078135 928784943 /nfs/dbraw/zinc/78/49/43/928784943.db2.gz FFYDLOQASHJWMC-IELRGYKMSA-N 1 2 267.760 1.620 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C#N)C2 ZINC001109078135 928784946 /nfs/dbraw/zinc/78/49/46/928784946.db2.gz FFYDLOQASHJWMC-IELRGYKMSA-N 1 2 267.760 1.620 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](CC)OCC)CC1 ZINC001112661803 929302746 /nfs/dbraw/zinc/30/27/46/929302746.db2.gz MESYPUWZYPRXFE-CYBMUJFWSA-N 1 2 254.374 1.522 20 30 CDEDLO C=C[C@@H]1C[C@@]1(NC(=O)c1cc2c[nH+]ccc2[nH]1)C(=O)OCC ZINC001151976905 937323870 /nfs/dbraw/zinc/32/38/70/937323870.db2.gz WJENDUMOYPAMHW-BZNIZROVSA-N 1 2 299.330 1.801 20 30 CDEDLO C=CCC1(C(=O)NCC[NH2+]Cc2cnon2)CCCCC1 ZINC001151998221 937327345 /nfs/dbraw/zinc/32/73/45/937327345.db2.gz RMMQZEPZOUEDIO-UHFFFAOYSA-N 1 2 292.383 1.802 20 30 CDEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+]Cc1ncc(C(C)C)o1 ZINC001153149305 937423316 /nfs/dbraw/zinc/42/33/16/937423316.db2.gz VEYICOAKEVVPAH-LBPRGKRZSA-N 1 2 295.383 1.595 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCSCC1)n1cc[nH+]c1 ZINC001116381992 937445215 /nfs/dbraw/zinc/44/52/15/937445215.db2.gz ZVZCMYHVPNXCKV-SNVBAGLBSA-N 1 2 264.354 1.350 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)[C@H](O)C1 ZINC001090553481 931092027 /nfs/dbraw/zinc/09/20/27/931092027.db2.gz MYKXIGNQPKRACY-QWHCGFSZSA-N 1 2 298.814 1.647 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)[C@H](O)C1 ZINC001090553481 931092034 /nfs/dbraw/zinc/09/20/34/931092034.db2.gz MYKXIGNQPKRACY-QWHCGFSZSA-N 1 2 298.814 1.647 20 30 CDEDLO N#CCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1ccncc1 ZINC001274032329 931133268 /nfs/dbraw/zinc/13/32/68/931133268.db2.gz LSJSITDEWYBENQ-HUUCEWRRSA-N 1 2 284.363 1.561 20 30 CDEDLO N#CCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1ccncc1 ZINC001274032329 931133272 /nfs/dbraw/zinc/13/32/72/931133272.db2.gz LSJSITDEWYBENQ-HUUCEWRRSA-N 1 2 284.363 1.561 20 30 CDEDLO CCSc1cc[nH+]c(N[C@@H]2C(=O)N(O)C[C@@H]2C)c1 ZINC001160178337 931248375 /nfs/dbraw/zinc/24/83/75/931248375.db2.gz GWAXZEHVONMCJM-KWQFWETISA-N 1 2 267.354 1.842 20 30 CDEDLO C=CCC[C@H](O)C[NH+]1CC2(C1)CN([C@@H](C)CC)C(=O)CO2 ZINC001274621830 931522564 /nfs/dbraw/zinc/52/25/64/931522564.db2.gz XYVRZFQCPPQTIT-KBPBESRZSA-N 1 2 296.411 1.025 20 30 CDEDLO C[N@@H+]1CCC12CN(C(=O)c1ccccc1CC#N)C2 ZINC001274892337 931602601 /nfs/dbraw/zinc/60/26/01/931602601.db2.gz PVLWTNGCOVMPHI-UHFFFAOYSA-N 1 2 255.321 1.283 20 30 CDEDLO C[N@H+]1CCC12CN(C(=O)c1ccccc1CC#N)C2 ZINC001274892337 931602605 /nfs/dbraw/zinc/60/26/05/931602605.db2.gz PVLWTNGCOVMPHI-UHFFFAOYSA-N 1 2 255.321 1.283 20 30 CDEDLO C[C@H](CC(=O)NC1(C#N)CCOCC1)n1cc[nH+]c1 ZINC001326441957 932238718 /nfs/dbraw/zinc/23/87/18/932238718.db2.gz DUKAAXJMRMJQLY-LLVKDONJSA-N 1 2 262.313 1.023 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1nn(C)c2ccccc21 ZINC001038929777 935763724 /nfs/dbraw/zinc/76/37/24/935763724.db2.gz DZJWYAAFRWKITI-ZDUSSCGKSA-N 1 2 296.374 1.401 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1nn(C)c2ccccc21 ZINC001038929777 935763726 /nfs/dbraw/zinc/76/37/26/935763726.db2.gz DZJWYAAFRWKITI-ZDUSSCGKSA-N 1 2 296.374 1.401 20 30 CDEDLO CC(C)(C)C(=O)N1CCN(c2cc(CC#N)cc[nH+]2)CC1 ZINC001156266563 938342978 /nfs/dbraw/zinc/34/29/78/938342978.db2.gz ROLTYHLSCWWSGE-UHFFFAOYSA-N 1 2 286.379 1.842 20 30 CDEDLO Cc1nc(Cl)cc(C(F)(F)N2CC[NH2+]C[C@@H]2C#N)n1 ZINC001156321175 938351340 /nfs/dbraw/zinc/35/13/40/938351340.db2.gz SJZYZWRMYWHMBR-QMMMGPOBSA-N 1 2 287.701 1.285 20 30 CDEDLO C=C(C)C(=O)NCCCNc1[nH+]cc(C)cc1OC ZINC001156820363 938421661 /nfs/dbraw/zinc/42/16/61/938421661.db2.gz DURIHHFXLZURKJ-UHFFFAOYSA-N 1 2 263.341 1.893 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001156896810 938430530 /nfs/dbraw/zinc/43/05/30/938430530.db2.gz ACCDEDQEDSAOOC-AWEZNQCLSA-N 1 2 260.341 1.845 20 30 CDEDLO CC(C)(S)CNc1cc(N2CCC[C@H]2C(N)=O)nc[nH+]1 ZINC001159269313 938716880 /nfs/dbraw/zinc/71/68/80/938716880.db2.gz IZBCSSCUXBMBNF-VIFPVBQESA-N 1 2 295.412 1.051 20 30 CDEDLO CC(C)(S)CNc1cc(N2CCC[C@H]2C(N)=O)[nH+]cn1 ZINC001159269313 938716882 /nfs/dbraw/zinc/71/68/82/938716882.db2.gz IZBCSSCUXBMBNF-VIFPVBQESA-N 1 2 295.412 1.051 20 30 CDEDLO N#CCc1cc[nH+]c(NCc2ccccc2-n2cnnn2)c1 ZINC001160220872 938775735 /nfs/dbraw/zinc/77/57/35/938775735.db2.gz CHQFIGHNEMNIRN-UHFFFAOYSA-N 1 2 291.318 1.735 20 30 CDEDLO CC(C)C[C@@H](C(=O)NCCCNCC#N)n1cc[nH+]c1 ZINC001160521916 938794777 /nfs/dbraw/zinc/79/47/77/938794777.db2.gz PWWJRASWZGBZRD-ZDUSSCGKSA-N 1 2 277.372 1.090 20 30 CDEDLO COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1cc(C#N)cc(C)n1 ZINC001160701767 938816388 /nfs/dbraw/zinc/81/63/88/938816388.db2.gz ZKLXBPLORULLKY-CYBMUJFWSA-N 1 2 299.334 1.191 20 30 CDEDLO N#Cc1ccnc(N[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c1F ZINC001160721769 938818882 /nfs/dbraw/zinc/81/88/82/938818882.db2.gz CFASQLXCLQLSFA-OLZOCXBDSA-N 1 2 290.342 1.758 20 30 CDEDLO N#CCc1cc[nH+]c(N[C@@H]2CCN(c3ccncn3)C2)c1 ZINC001161290233 938884409 /nfs/dbraw/zinc/88/44/09/938884409.db2.gz NAOSYZIBHSJINK-CYBMUJFWSA-N 1 2 280.335 1.628 20 30 CDEDLO N#Cc1cc([N+](=O)[O-])cnc1NC1CN(c2cccc[nH+]2)C1 ZINC001161320916 938889313 /nfs/dbraw/zinc/88/93/13/938889313.db2.gz UTWWMEQBUBDCMU-UHFFFAOYSA-N 1 2 296.290 1.557 20 30 CDEDLO N#Cc1ccc2ncnc(N3CC[NH2+]CC(F)(F)C3)c2c1 ZINC001164488837 939478608 /nfs/dbraw/zinc/47/86/08/939478608.db2.gz MXHXNZPFLKIWOG-UHFFFAOYSA-N 1 2 289.289 1.546 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1c1nccc2c(F)cccc21 ZINC001164650768 939501994 /nfs/dbraw/zinc/50/19/94/939501994.db2.gz AHRWOHZSPJATMO-SNVBAGLBSA-N 1 2 256.284 1.676 20 30 CDEDLO Cc1nc2cc(Cl)ccc2c(N2CC[NH2+]C[C@H]2C#N)n1 ZINC001164653003 939502226 /nfs/dbraw/zinc/50/22/26/939502226.db2.gz YKUPRBOHVFANBL-LLVKDONJSA-N 1 2 287.754 1.893 20 30 CDEDLO Cc1nc(-c2ccncc2)nc(N2CC[NH2+]C[C@H]2C#N)c1C ZINC001164660725 939502996 /nfs/dbraw/zinc/50/29/96/939502996.db2.gz HIASBFCTJIKRDD-CQSZACIVSA-N 1 2 294.362 1.457 20 30 CDEDLO Cc1cc(N2CC([N@@H+]3CCOC(C)(C)C3)C2)ncc1C#N ZINC001165127310 939514659 /nfs/dbraw/zinc/51/46/59/939514659.db2.gz DYLZTPNACBNPRC-UHFFFAOYSA-N 1 2 286.379 1.561 20 30 CDEDLO Cc1cc(N2CC([N@H+]3CCOC(C)(C)C3)C2)ncc1C#N ZINC001165127310 939514661 /nfs/dbraw/zinc/51/46/61/939514661.db2.gz DYLZTPNACBNPRC-UHFFFAOYSA-N 1 2 286.379 1.561 20 30 CDEDLO C=CCCCC(=O)NCCC[NH2+][C@@H](C)c1noc(C)n1 ZINC001165523100 939568408 /nfs/dbraw/zinc/56/84/08/939568408.db2.gz YQHNYPPSCKLOOW-NSHDSACASA-N 1 2 280.372 1.891 20 30 CDEDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC001207109454 940151731 /nfs/dbraw/zinc/15/17/31/940151731.db2.gz ZJEKSJULEMVVGG-MBNYWOFBSA-N 1 2 273.336 1.423 20 30 CDEDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1cc(C#N)n(C)c1 ZINC001207109454 940151733 /nfs/dbraw/zinc/15/17/33/940151733.db2.gz ZJEKSJULEMVVGG-MBNYWOFBSA-N 1 2 273.336 1.423 20 30 CDEDLO Cn1cc(C[NH+]2CCN(c3ccncn3)CC2)cc1C#N ZINC001207109817 940151866 /nfs/dbraw/zinc/15/18/66/940151866.db2.gz UKRAQLNJNTWCDC-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO COc1ncnc(Nc2ccc3[nH]c[nH+]c3c2)c1C#N ZINC001209848052 940646773 /nfs/dbraw/zinc/64/67/73/940646773.db2.gz HCUUULUSRFXXGL-UHFFFAOYSA-N 1 2 266.264 1.977 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](OCC(=O)c3cccc(C#N)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001210381307 940687435 /nfs/dbraw/zinc/68/74/35/940687435.db2.gz JOEKYJSPAXSYFW-RCKFOTBSSA-N 1 2 298.342 1.370 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](OCC(=O)c3cccc(C#N)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001210381307 940687438 /nfs/dbraw/zinc/68/74/38/940687438.db2.gz JOEKYJSPAXSYFW-RCKFOTBSSA-N 1 2 298.342 1.370 20 30 CDEDLO C#CCCCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](F)CC)C[C@@H]21 ZINC001217757816 941018427 /nfs/dbraw/zinc/01/84/27/941018427.db2.gz ATXZZHIQJXUILO-SOUVJXGZSA-N 1 2 296.386 1.450 20 30 CDEDLO C#CCCCC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](F)CC)C[C@@H]21 ZINC001217757816 941018430 /nfs/dbraw/zinc/01/84/30/941018430.db2.gz ATXZZHIQJXUILO-SOUVJXGZSA-N 1 2 296.386 1.450 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001220247912 941427800 /nfs/dbraw/zinc/42/78/00/941427800.db2.gz YWRPEKWAJLAQQY-OXTPZFROSA-N 1 2 272.776 1.257 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001220247912 941427802 /nfs/dbraw/zinc/42/78/02/941427802.db2.gz YWRPEKWAJLAQQY-OXTPZFROSA-N 1 2 272.776 1.257 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001220280885 941432260 /nfs/dbraw/zinc/43/22/60/941432260.db2.gz XKQSQLPJXCLWND-MEERCUOESA-N 1 2 286.803 1.503 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001220280885 941432262 /nfs/dbraw/zinc/43/22/62/941432262.db2.gz XKQSQLPJXCLWND-MEERCUOESA-N 1 2 286.803 1.503 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)CC2CCCC2)[C@@H](O)C1 ZINC001220471821 941449728 /nfs/dbraw/zinc/44/97/28/941449728.db2.gz CJQQLEQXDVJAIX-OAGGEKHMSA-N 1 2 292.423 1.387 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)CC2CCCC2)[C@@H](O)C1 ZINC001220471821 941449730 /nfs/dbraw/zinc/44/97/30/941449730.db2.gz CJQQLEQXDVJAIX-OAGGEKHMSA-N 1 2 292.423 1.387 20 30 CDEDLO N#CCOc1cccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC001362059696 970832076 /nfs/dbraw/zinc/83/20/76/970832076.db2.gz QIOBNWCOCAVSKW-LBPRGKRZSA-N 1 2 296.330 1.987 20 30 CDEDLO C=CCCCCCO[C@@H]1C[C@@H](C(=O)OC)[N@@H+](C)C1 ZINC001224427556 941753456 /nfs/dbraw/zinc/75/34/56/941753456.db2.gz CDEXIBQUDDSARN-OLZOCXBDSA-N 1 2 255.358 1.995 20 30 CDEDLO C=CCCCCCO[C@@H]1C[C@@H](C(=O)OC)[N@H+](C)C1 ZINC001224427556 941753457 /nfs/dbraw/zinc/75/34/57/941753457.db2.gz CDEXIBQUDDSARN-OLZOCXBDSA-N 1 2 255.358 1.995 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4n[nH]cc4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225721368 941904313 /nfs/dbraw/zinc/90/43/13/941904313.db2.gz WJZKWLUITOGBBN-GAAPNJIFSA-N 1 2 271.320 1.554 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4n[nH]cc4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225721368 941904316 /nfs/dbraw/zinc/90/43/16/941904316.db2.gz WJZKWLUITOGBBN-GAAPNJIFSA-N 1 2 271.320 1.554 20 30 CDEDLO COc1cncc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001226101072 941951758 /nfs/dbraw/zinc/95/17/58/941951758.db2.gz XDBPLFZGTQNAHR-UBYSCORNSA-N 1 2 262.309 1.081 20 30 CDEDLO COc1cncc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001226101072 941951759 /nfs/dbraw/zinc/95/17/59/941951759.db2.gz XDBPLFZGTQNAHR-UBYSCORNSA-N 1 2 262.309 1.081 20 30 CDEDLO Cc1cnc(C[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)o1 ZINC001226617275 942035800 /nfs/dbraw/zinc/03/58/00/942035800.db2.gz CWOGDWANYGZYMT-SNVBAGLBSA-N 1 2 276.340 1.223 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc4c3OCCO4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226629229 942037643 /nfs/dbraw/zinc/03/76/43/942037643.db2.gz DHEWWYPGWOZNAS-RBRDRRMGSA-N 1 2 289.331 1.449 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc4c3OCCO4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226629229 942037647 /nfs/dbraw/zinc/03/76/47/942037647.db2.gz DHEWWYPGWOZNAS-RBRDRRMGSA-N 1 2 289.331 1.449 20 30 CDEDLO Cc1cc(C[NH+]2CCC(NC(=O)C#CC3CC3)CC2)no1 ZINC001227233634 942154501 /nfs/dbraw/zinc/15/45/01/942154501.db2.gz YDFQFDPXSKUEDX-UHFFFAOYSA-N 1 2 287.363 1.477 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2ccc(C#N)c(C#N)c2)C1 ZINC001228259659 942285601 /nfs/dbraw/zinc/28/56/01/942285601.db2.gz HVKSEECOCDCAJY-AWEZNQCLSA-N 1 2 257.293 1.139 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2ccc(C#N)c(C#N)c2)C1 ZINC001228259659 942285603 /nfs/dbraw/zinc/28/56/03/942285603.db2.gz HVKSEECOCDCAJY-AWEZNQCLSA-N 1 2 257.293 1.139 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncnc4ccncc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228635248 942343760 /nfs/dbraw/zinc/34/37/60/942343760.db2.gz VXXRWIFLNRJMIR-UBYSCORNSA-N 1 2 284.319 1.016 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncnc4ccncc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228635248 942343762 /nfs/dbraw/zinc/34/37/62/942343762.db2.gz VXXRWIFLNRJMIR-UBYSCORNSA-N 1 2 284.319 1.016 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC001228773255 942374292 /nfs/dbraw/zinc/37/42/92/942374292.db2.gz DTLFXEQWWRPMKX-NSHDSACASA-N 1 2 277.280 1.176 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC001228773255 942374294 /nfs/dbraw/zinc/37/42/94/942374294.db2.gz DTLFXEQWWRPMKX-NSHDSACASA-N 1 2 277.280 1.176 20 30 CDEDLO CC[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001230810109 942705100 /nfs/dbraw/zinc/70/51/00/942705100.db2.gz JKOWZMYHGJDZOI-KGLIPLIRSA-N 1 2 266.385 1.215 20 30 CDEDLO CC[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001230810109 942705105 /nfs/dbraw/zinc/70/51/05/942705105.db2.gz JKOWZMYHGJDZOI-KGLIPLIRSA-N 1 2 266.385 1.215 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(=O)NCC=C ZINC001231121410 942791899 /nfs/dbraw/zinc/79/18/99/942791899.db2.gz CLTCBIWFWFOHDN-KGLIPLIRSA-N 1 2 293.411 1.176 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NCC=C ZINC001231121410 942791902 /nfs/dbraw/zinc/79/19/02/942791902.db2.gz CLTCBIWFWFOHDN-KGLIPLIRSA-N 1 2 293.411 1.176 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@H](CO)C[C@H](F)C1 ZINC001231617154 942945764 /nfs/dbraw/zinc/94/57/64/942945764.db2.gz YWVOEEFTUXRLAH-OCCSQVGLSA-N 1 2 278.327 1.719 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](CO)C[C@H](F)C1 ZINC001231617154 942945766 /nfs/dbraw/zinc/94/57/66/942945766.db2.gz YWVOEEFTUXRLAH-OCCSQVGLSA-N 1 2 278.327 1.719 20 30 CDEDLO C#Cc1cccc(C[N@@H+]2CC(=O)N(CC)C[C@H]2C)c1 ZINC001231661476 942965394 /nfs/dbraw/zinc/96/53/94/942965394.db2.gz UOCLUTWDSZXXTK-CYBMUJFWSA-N 1 2 256.349 1.721 20 30 CDEDLO C#Cc1cccc(C[N@H+]2CC(=O)N(CC)C[C@H]2C)c1 ZINC001231661476 942965400 /nfs/dbraw/zinc/96/54/00/942965400.db2.gz UOCLUTWDSZXXTK-CYBMUJFWSA-N 1 2 256.349 1.721 20 30 CDEDLO Cc1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)nn1 ZINC001474413263 970978209 /nfs/dbraw/zinc/97/82/09/970978209.db2.gz XNZSMVAAJLPJQU-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC(=O)N3CCC[C@H]3C2)c1 ZINC001232681040 943363652 /nfs/dbraw/zinc/36/36/52/943363652.db2.gz KGWQJILRVSHHJP-AWEZNQCLSA-N 1 2 285.347 1.461 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCC(=O)N3CCC[C@H]3C2)c1 ZINC001232681040 943363659 /nfs/dbraw/zinc/36/36/59/943363659.db2.gz KGWQJILRVSHHJP-AWEZNQCLSA-N 1 2 285.347 1.461 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1[nH]ccc1C ZINC001233991631 943708817 /nfs/dbraw/zinc/70/88/17/943708817.db2.gz RLUVHKHAMUYYOQ-AWEZNQCLSA-N 1 2 289.379 1.119 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1[nH]ccc1C ZINC001233991631 943708819 /nfs/dbraw/zinc/70/88/19/943708819.db2.gz RLUVHKHAMUYYOQ-AWEZNQCLSA-N 1 2 289.379 1.119 20 30 CDEDLO COc1ncc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cc1Cl ZINC001234043605 943726044 /nfs/dbraw/zinc/72/60/44/943726044.db2.gz ODDJZJVBIIYKFB-ROHLRWBXSA-N 1 2 296.754 1.735 20 30 CDEDLO COc1ncc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cc1Cl ZINC001234043605 943726049 /nfs/dbraw/zinc/72/60/49/943726049.db2.gz ODDJZJVBIIYKFB-ROHLRWBXSA-N 1 2 296.754 1.735 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001234554065 943891264 /nfs/dbraw/zinc/89/12/64/943891264.db2.gz DFLFFQWEVLPZDN-OLZOCXBDSA-N 1 2 295.427 1.256 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001234554065 943891270 /nfs/dbraw/zinc/89/12/70/943891270.db2.gz DFLFFQWEVLPZDN-OLZOCXBDSA-N 1 2 295.427 1.256 20 30 CDEDLO C=CCOCC(=O)N[C@@H]1CCC[N@@H+](CC(=C)Cl)C1 ZINC001265207415 944275580 /nfs/dbraw/zinc/27/55/80/944275580.db2.gz GUVFMPDRSBKITR-GFCCVEGCSA-N 1 2 272.776 1.522 20 30 CDEDLO C=CCOCC(=O)N[C@@H]1CCC[N@H+](CC(=C)Cl)C1 ZINC001265207415 944275584 /nfs/dbraw/zinc/27/55/84/944275584.db2.gz GUVFMPDRSBKITR-GFCCVEGCSA-N 1 2 272.776 1.522 20 30 CDEDLO Cn1cc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)c2cc(C#N)ccc21 ZINC001237469509 944800853 /nfs/dbraw/zinc/80/08/53/944800853.db2.gz VUVFFYXXMBFRCR-GOEBONIOSA-N 1 2 287.338 1.955 20 30 CDEDLO Cn1cc(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)c2cc(C#N)ccc21 ZINC001237469509 944800862 /nfs/dbraw/zinc/80/08/62/944800862.db2.gz VUVFFYXXMBFRCR-GOEBONIOSA-N 1 2 287.338 1.955 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)NCc1ccc(C#N)c(F)c1 ZINC001478822829 971251249 /nfs/dbraw/zinc/25/12/49/971251249.db2.gz HCXFAUVQUJIDAP-UHFFFAOYSA-N 1 2 287.298 1.430 20 30 CDEDLO CCOC[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C#N)C2)Cc2nnn(C)c21 ZINC001254662218 947577600 /nfs/dbraw/zinc/57/76/00/947577600.db2.gz DBTKGFXAZBWJRW-AGIUHOORSA-N 1 2 289.383 1.443 20 30 CDEDLO CCOC[C@@H]1C[N@H+]([C@H]2CC[C@@H](C#N)C2)Cc2nnn(C)c21 ZINC001254662218 947577607 /nfs/dbraw/zinc/57/76/07/947577607.db2.gz DBTKGFXAZBWJRW-AGIUHOORSA-N 1 2 289.383 1.443 20 30 CDEDLO CC[C@H](CC#N)[NH2+][C@@H](CCC(=O)OC(C)(C)C)C(N)=O ZINC001255157876 947757200 /nfs/dbraw/zinc/75/72/00/947757200.db2.gz YBHUHQYCDIXEBZ-MNOVXSKESA-N 1 2 283.372 1.244 20 30 CDEDLO CCOC1CCC([NH2+]C2(C#N)CCOCC2)CC1 ZINC001256433182 948323456 /nfs/dbraw/zinc/32/34/56/948323456.db2.gz MVSAGVLENAPTNO-UHFFFAOYSA-N 1 2 252.358 1.996 20 30 CDEDLO N#C[C@H]1CN(C2CCC([NH+]3CCOCC3)CC2)CCC1=O ZINC001256697594 948402377 /nfs/dbraw/zinc/40/23/77/948402377.db2.gz GCMVFSXKVFWLBZ-NFOMZHRRSA-N 1 2 291.395 1.044 20 30 CDEDLO N#CC1CN(C2CCC([NH+]3CCOCC3)CC2)CCC1=O ZINC001256697594 948402381 /nfs/dbraw/zinc/40/23/81/948402381.db2.gz GCMVFSXKVFWLBZ-NFOMZHRRSA-N 1 2 291.395 1.044 20 30 CDEDLO COC(=O)CC[C@@H](C)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001258367741 948794242 /nfs/dbraw/zinc/79/42/42/948794242.db2.gz OBDMNASKDHNXNU-MWLCHTKSSA-N 1 2 269.366 1.602 20 30 CDEDLO COC(=O)CC[C@@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258367741 948794255 /nfs/dbraw/zinc/79/42/55/948794255.db2.gz OBDMNASKDHNXNU-MWLCHTKSSA-N 1 2 269.366 1.602 20 30 CDEDLO COC(=O)CC[C@@H](C)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258367741 948794265 /nfs/dbraw/zinc/79/42/65/948794265.db2.gz OBDMNASKDHNXNU-MWLCHTKSSA-N 1 2 269.366 1.602 20 30 CDEDLO COC(=O)CC[C@@H](C)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258367741 948794276 /nfs/dbraw/zinc/79/42/76/948794276.db2.gz OBDMNASKDHNXNU-MWLCHTKSSA-N 1 2 269.366 1.602 20 30 CDEDLO C=CCOC(=O)N1CC[NH+]([C@H](C)CCC(=O)OC)CC1 ZINC001258378718 948812478 /nfs/dbraw/zinc/81/24/78/948812478.db2.gz DVDUZQUVTAVILL-GFCCVEGCSA-N 1 2 284.356 1.268 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(Cl)c(C)n2)CC1 ZINC001248876754 949259394 /nfs/dbraw/zinc/25/93/94/949259394.db2.gz QXJDIWHAQBJDOG-UHFFFAOYSA-N 1 2 263.772 1.794 20 30 CDEDLO C=CCC[C@@H](O)CNc1ccc(N2CCOCC2)[nH+]c1 ZINC001252588047 951481659 /nfs/dbraw/zinc/48/16/59/951481659.db2.gz ISKBWNJNGHTJNP-CQSZACIVSA-N 1 2 277.368 1.657 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001252595986 951490229 /nfs/dbraw/zinc/49/02/29/951490229.db2.gz LUPZZMDCDIJAFB-TZMCWYRMSA-N 1 2 294.399 1.171 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001252595986 951490235 /nfs/dbraw/zinc/49/02/35/951490235.db2.gz LUPZZMDCDIJAFB-TZMCWYRMSA-N 1 2 294.399 1.171 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cccn1C)C1CC1 ZINC001493347771 972023210 /nfs/dbraw/zinc/02/32/10/972023210.db2.gz CMQHSKGAINHDGD-UHFFFAOYSA-N 1 2 281.787 1.972 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cccn1C)C1CC1 ZINC001493347771 972023219 /nfs/dbraw/zinc/02/32/19/972023219.db2.gz CMQHSKGAINHDGD-UHFFFAOYSA-N 1 2 281.787 1.972 20 30 CDEDLO C=CCN(C(=O)[C@H](C)n1cc[nH+]c1)[C@@H](C)COC ZINC001328392680 955282637 /nfs/dbraw/zinc/28/26/37/955282637.db2.gz YUNJFAIODLOZLY-RYUDHWBXSA-N 1 2 251.330 1.494 20 30 CDEDLO N#CC[C@@]1(O)CCN(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC001365071140 955564808 /nfs/dbraw/zinc/56/48/08/955564808.db2.gz VMLRZRQCUTWBMP-CQSZACIVSA-N 1 2 285.307 1.217 20 30 CDEDLO N#CC1CCC(CNC(=O)NCc2ccc[nH+]c2N)CC1 ZINC001365148622 955646360 /nfs/dbraw/zinc/64/63/60/955646360.db2.gz UBSCKJNPGQTOJS-UHFFFAOYSA-N 1 2 287.367 1.793 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccc(COC)o1 ZINC001492332205 955806367 /nfs/dbraw/zinc/80/63/67/955806367.db2.gz WWJPWEYMIKSGGR-UHFFFAOYSA-N 1 2 286.759 1.840 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccc(COC)o1 ZINC001492332205 955806377 /nfs/dbraw/zinc/80/63/77/955806377.db2.gz WWJPWEYMIKSGGR-UHFFFAOYSA-N 1 2 286.759 1.840 20 30 CDEDLO C[C@H](C#N)C(=O)NCC1C[NH+](Cc2cc(C3CC3)no2)C1 ZINC001494537065 972250115 /nfs/dbraw/zinc/25/01/15/972250115.db2.gz DPBNVETVGRXCKP-SNVBAGLBSA-N 1 2 288.351 1.260 20 30 CDEDLO C=C(Cl)CN1CC(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001366950656 957294578 /nfs/dbraw/zinc/29/45/78/957294578.db2.gz KTACTIPHYBPORS-UHFFFAOYSA-N 1 2 282.775 1.216 20 30 CDEDLO C=CCC1(O)CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001331913138 957329739 /nfs/dbraw/zinc/32/97/39/957329739.db2.gz WUJZGFIYLAIGCS-LBPRGKRZSA-N 1 2 277.368 1.518 20 30 CDEDLO C=CCC1(O)CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001331913138 957329751 /nfs/dbraw/zinc/32/97/51/957329751.db2.gz WUJZGFIYLAIGCS-LBPRGKRZSA-N 1 2 277.368 1.518 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+]CC(=O)NCCc1ccccc1 ZINC001650154258 1169758808 /nfs/dbraw/zinc/75/88/08/1169758808.db2.gz LGUAGCQFEWFFJK-OAHLLOKOSA-N 1 2 284.363 1.378 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1cnc(C)s1 ZINC001334234724 958963845 /nfs/dbraw/zinc/96/38/45/958963845.db2.gz LDJABCBBSCSTHP-JQWIXIFHSA-N 1 2 277.393 1.726 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1cnc(C)s1 ZINC001334234724 958963855 /nfs/dbraw/zinc/96/38/55/958963855.db2.gz LDJABCBBSCSTHP-JQWIXIFHSA-N 1 2 277.393 1.726 20 30 CDEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1ccnn1C ZINC001323088220 960440890 /nfs/dbraw/zinc/44/08/90/960440890.db2.gz PRJDLEKYZXPRTQ-SREVYHEPSA-N 1 2 256.309 1.777 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1nocc1C)C1CC1 ZINC001418790150 961023140 /nfs/dbraw/zinc/02/31/40/961023140.db2.gz PAFAHXSHTOQAGM-UHFFFAOYSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1nocc1C)C1CC1 ZINC001418790150 961023160 /nfs/dbraw/zinc/02/31/60/961023160.db2.gz PAFAHXSHTOQAGM-UHFFFAOYSA-N 1 2 283.759 1.930 20 30 CDEDLO N#Cc1ccncc1C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001434260601 961124386 /nfs/dbraw/zinc/12/43/86/961124386.db2.gz ZRMVMOQRNBQMNB-UHFFFAOYSA-N 1 2 279.303 1.129 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+]Cc1csc(C(C)C)n1 ZINC001337611098 961310567 /nfs/dbraw/zinc/31/05/67/961310567.db2.gz AYDDSYYSZGMPIR-UHFFFAOYSA-N 1 2 288.438 1.957 20 30 CDEDLO C[N@H+](CCNC(=O)c1cc(C#N)c[nH]1)Cc1ccns1 ZINC001437445873 962908361 /nfs/dbraw/zinc/90/83/61/962908361.db2.gz IHLXORLRSVGSFD-UHFFFAOYSA-N 1 2 289.364 1.205 20 30 CDEDLO C[N@@H+](CCNC(=O)c1cc(C#N)c[nH]1)Cc1ccns1 ZINC001437445873 962908371 /nfs/dbraw/zinc/90/83/71/962908371.db2.gz IHLXORLRSVGSFD-UHFFFAOYSA-N 1 2 289.364 1.205 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)C(C)C)n2CC)CC1 ZINC001340850991 963156439 /nfs/dbraw/zinc/15/64/39/963156439.db2.gz REQGZZFFOAIHKF-CQSZACIVSA-N 1 2 289.427 1.813 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cn1nccc1C)C1CC1 ZINC001437811698 963192305 /nfs/dbraw/zinc/19/23/05/963192305.db2.gz QKKRGJSOUYCFOG-UHFFFAOYSA-N 1 2 296.802 1.525 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)Cn1nccc1C)C1CC1 ZINC001437811698 963192313 /nfs/dbraw/zinc/19/23/13/963192313.db2.gz QKKRGJSOUYCFOG-UHFFFAOYSA-N 1 2 296.802 1.525 20 30 CDEDLO Cc1nc(C[NH2+]C2(CNC(=O)[C@@H](C)C#N)CC2)oc1C ZINC001420922142 963359943 /nfs/dbraw/zinc/35/99/43/963359943.db2.gz OMGZUNVRSXCOAW-VIFPVBQESA-N 1 2 276.340 1.190 20 30 CDEDLO C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)CCc1cnn[nH]1 ZINC001421134826 963470870 /nfs/dbraw/zinc/47/08/70/963470870.db2.gz LFZIKIRJRGPNQT-LBPRGKRZSA-N 1 2 297.790 1.070 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnn2c1OCCC2 ZINC001442462189 965075159 /nfs/dbraw/zinc/07/51/59/965075159.db2.gz ILHDCZVNBCOEOF-UHFFFAOYSA-N 1 2 298.774 1.080 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnn2c1OCCC2 ZINC001442462189 965075176 /nfs/dbraw/zinc/07/51/76/965075176.db2.gz ILHDCZVNBCOEOF-UHFFFAOYSA-N 1 2 298.774 1.080 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)COC)C1 ZINC001446503568 966559436 /nfs/dbraw/zinc/55/94/36/966559436.db2.gz CMAJPPULGWZAGM-NSHDSACASA-N 1 2 291.189 1.122 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)COC)C1 ZINC001446503568 966559441 /nfs/dbraw/zinc/55/94/41/966559441.db2.gz CMAJPPULGWZAGM-NSHDSACASA-N 1 2 291.189 1.122 20 30 CDEDLO C[C@H](C#N)Oc1ccccc1NC(=O)Cc1[nH]cc[nH+]1 ZINC001446646642 966606974 /nfs/dbraw/zinc/60/69/74/966606974.db2.gz QMZCXNQHBIIIJJ-SNVBAGLBSA-N 1 2 270.292 1.882 20 30 CDEDLO C=CCNC(=S)N1CCCN(c2cccc[nH+]2)CC1 ZINC001200274169 967797055 /nfs/dbraw/zinc/79/70/55/967797055.db2.gz GCFKLABDFAIKAE-UHFFFAOYSA-N 1 2 276.409 1.654 20 30 CDEDLO CCc1[nH]c(CNC(=O)c2cccc(C#N)c2)c[nH+]1 ZINC001456143746 968867953 /nfs/dbraw/zinc/86/79/53/968867953.db2.gz SVPUJAJCDWQUCN-UHFFFAOYSA-N 1 2 254.293 1.774 20 30 CDEDLO CCc1[nH]cc(CNC(=O)c2cccc(C#N)c2)[nH+]1 ZINC001456143746 968867957 /nfs/dbraw/zinc/86/79/57/968867957.db2.gz SVPUJAJCDWQUCN-UHFFFAOYSA-N 1 2 254.293 1.774 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)NCCC#C[Si](C)(C)C ZINC001528601463 968887114 /nfs/dbraw/zinc/88/71/14/968887114.db2.gz OGBGUJJJYNSBIU-UHFFFAOYSA-N 1 2 277.444 1.740 20 30 CDEDLO Cc1c[nH+]cc(C)c1NC(=O)c1ncc(C#N)cc1C ZINC001537609308 969661492 /nfs/dbraw/zinc/66/14/92/969661492.db2.gz FIRPKFINENDNJY-UHFFFAOYSA-N 1 2 266.304 1.948 20 30 CDEDLO N#C[C@@H]1CC[C@H]([NH2+]Cc2nc(C(F)(F)F)n[nH]2)C1 ZINC001462688525 969710692 /nfs/dbraw/zinc/71/06/92/969710692.db2.gz JOCUMPBXAPTNAL-RQJHMYQMSA-N 1 2 259.235 1.605 20 30 CDEDLO C=C[C@](C)(O)C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001358484159 969745717 /nfs/dbraw/zinc/74/57/17/969745717.db2.gz KQIFJXWLARTKSX-ZFWWWQNUSA-N 1 2 294.782 1.750 20 30 CDEDLO Cc1cc(NC(=O)Cc2c[nH+]cn2C)n(CCC#N)n1 ZINC001361953113 970711891 /nfs/dbraw/zinc/71/18/91/970711891.db2.gz NXEVNCOUSNRDNF-UHFFFAOYSA-N 1 2 272.312 1.020 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC1(F)F ZINC001496698364 973049704 /nfs/dbraw/zinc/04/97/04/973049704.db2.gz AUXSTCUEDXBJDX-SECBINFHSA-N 1 2 266.719 1.784 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H]1CC1(F)F ZINC001496698364 973049717 /nfs/dbraw/zinc/04/97/17/973049717.db2.gz AUXSTCUEDXBJDX-SECBINFHSA-N 1 2 266.719 1.784 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1ncc[nH]1 ZINC001418156582 973613415 /nfs/dbraw/zinc/61/34/15/973613415.db2.gz KLBVFVGQAQYUDC-LBPRGKRZSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)Cc1ncc[nH]1 ZINC001418156582 973613421 /nfs/dbraw/zinc/61/34/21/973613421.db2.gz KLBVFVGQAQYUDC-LBPRGKRZSA-N 1 2 296.802 1.675 20 30 CDEDLO Cn1cc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)cn1 ZINC001418435344 973825097 /nfs/dbraw/zinc/82/50/97/973825097.db2.gz NGIPYKCDCFQIGA-UHFFFAOYSA-N 1 2 297.362 1.154 20 30 CDEDLO Cn1cc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)cn1 ZINC001418435344 973825102 /nfs/dbraw/zinc/82/51/02/973825102.db2.gz NGIPYKCDCFQIGA-UHFFFAOYSA-N 1 2 297.362 1.154 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnn2ccncc12 ZINC001377169582 974912367 /nfs/dbraw/zinc/91/23/67/974912367.db2.gz BMTXKXXNFJDISO-UHFFFAOYSA-N 1 2 293.758 1.143 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnn2ccncc12 ZINC001377169582 974912374 /nfs/dbraw/zinc/91/23/74/974912374.db2.gz BMTXKXXNFJDISO-UHFFFAOYSA-N 1 2 293.758 1.143 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1csc(=O)[nH]1 ZINC001406648069 976329119 /nfs/dbraw/zinc/32/91/19/976329119.db2.gz PGCCQGNSCBJYBY-MRVPVSSYSA-N 1 2 289.788 1.651 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1csc(=O)[nH]1 ZINC001406648069 976329134 /nfs/dbraw/zinc/32/91/34/976329134.db2.gz PGCCQGNSCBJYBY-MRVPVSSYSA-N 1 2 289.788 1.651 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1csnn1 ZINC001399733480 976662440 /nfs/dbraw/zinc/66/24/40/976662440.db2.gz FMSHGDBWXAGEIX-UHFFFAOYSA-N 1 2 274.777 1.342 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1csnn1 ZINC001399733480 976662445 /nfs/dbraw/zinc/66/24/45/976662445.db2.gz FMSHGDBWXAGEIX-UHFFFAOYSA-N 1 2 274.777 1.342 20 30 CDEDLO C=C(Cl)C[NH2+]C[C@H](C)NC(=O)c1[nH]nc2c1CCC2 ZINC001392570527 977490483 /nfs/dbraw/zinc/49/04/83/977490483.db2.gz HSYFWLWKBWLHBX-VIFPVBQESA-N 1 2 282.775 1.359 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(C)n[nH]1 ZINC001392634031 977502903 /nfs/dbraw/zinc/50/29/03/977502903.db2.gz BCGACDFEPHXXET-JTQLQIEISA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc(C)n[nH]1 ZINC001392634031 977502910 /nfs/dbraw/zinc/50/29/10/977502910.db2.gz BCGACDFEPHXXET-JTQLQIEISA-N 1 2 270.764 1.521 20 30 CDEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nonc1C ZINC001132569571 1163378371 /nfs/dbraw/zinc/37/83/71/1163378371.db2.gz UMHVDWPJKIFKKR-ZJUUUORDSA-N 1 2 266.345 1.042 20 30 CDEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nonc1C ZINC001132569568 1163379333 /nfs/dbraw/zinc/37/93/33/1163379333.db2.gz UMHVDWPJKIFKKR-NXEZZACHSA-N 1 2 266.345 1.042 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001132651340 1163425016 /nfs/dbraw/zinc/42/50/16/1163425016.db2.gz VZNZTULPHPDRQC-GFCCVEGCSA-N 1 2 276.384 1.593 20 30 CDEDLO C=CCCC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2c[nH]nn2)C1 ZINC001575084820 1171108783 /nfs/dbraw/zinc/10/87/83/1171108783.db2.gz AAMZKLUQVHPOTG-OLZOCXBDSA-N 1 2 291.399 1.488 20 30 CDEDLO C=CCCC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cn[nH]n2)C1 ZINC001575084820 1171108787 /nfs/dbraw/zinc/10/87/87/1171108787.db2.gz AAMZKLUQVHPOTG-OLZOCXBDSA-N 1 2 291.399 1.488 20 30 CDEDLO N#CCc1ccccc1C(=O)N[C@H]1CCc2[nH+]ccn2C1 ZINC000601019859 342458123 /nfs/dbraw/zinc/45/81/23/342458123.db2.gz HNVJMBNEOAHYNY-ZDUSSCGKSA-N 1 2 280.331 1.694 20 30 CDEDLO C[C@H](O)C[C@H]1COCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000589207417 342500201 /nfs/dbraw/zinc/50/02/01/342500201.db2.gz WJLJONNKHPAYRJ-QWRGUYRKSA-N 1 2 266.366 1.591 20 30 CDEDLO C[C@H](O)C[C@H]1COCC[N@H+]1Cc1ccc(C#N)s1 ZINC000589207417 342500202 /nfs/dbraw/zinc/50/02/02/342500202.db2.gz WJLJONNKHPAYRJ-QWRGUYRKSA-N 1 2 266.366 1.591 20 30 CDEDLO N#Cc1cc(O)cc(C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000589654920 342511187 /nfs/dbraw/zinc/51/11/87/342511187.db2.gz NODNLAJWUXVOEP-UHFFFAOYSA-N 1 2 268.276 1.116 20 30 CDEDLO C[N@H+](Cc1nnc2ccccn21)[C@@H]1CC[C@H](C#N)C1 ZINC000590161280 342523711 /nfs/dbraw/zinc/52/37/11/342523711.db2.gz SNDCPPSYRDBCBM-NWDGAFQWSA-N 1 2 255.325 1.853 20 30 CDEDLO C[N@@H+](Cc1nnc2ccccn21)[C@@H]1CC[C@H](C#N)C1 ZINC000590161280 342523712 /nfs/dbraw/zinc/52/37/12/342523712.db2.gz SNDCPPSYRDBCBM-NWDGAFQWSA-N 1 2 255.325 1.853 20 30 CDEDLO Cc1[nH]c2nc[nH+]c(N3CCN(CCC#N)CC3)c2c1C ZINC000601261562 342539877 /nfs/dbraw/zinc/53/98/77/342539877.db2.gz KICCUXMJZFANJR-UHFFFAOYSA-N 1 2 284.367 1.610 20 30 CDEDLO N#Cc1cccc(OCC[N@@H+]2CCc3nc[nH]c3C2)c1 ZINC000590598868 342579608 /nfs/dbraw/zinc/57/96/08/342579608.db2.gz CNJBFPUMZLARMV-UHFFFAOYSA-N 1 2 268.320 1.718 20 30 CDEDLO N#Cc1cccc(OCC[N@H+]2CCc3nc[nH]c3C2)c1 ZINC000590598868 342579609 /nfs/dbraw/zinc/57/96/09/342579609.db2.gz CNJBFPUMZLARMV-UHFFFAOYSA-N 1 2 268.320 1.718 20 30 CDEDLO COC(=O)C[C@](C)([NH2+]CC1(C#N)CC1)c1ccncc1 ZINC000589822628 342603420 /nfs/dbraw/zinc/60/34/20/342603420.db2.gz RFEYJBYDSWGCHA-AWEZNQCLSA-N 1 2 273.336 1.753 20 30 CDEDLO CC[N@@H+](CC(=O)NCc1cccs1)C[C@@H](C)C#N ZINC000198418405 342624104 /nfs/dbraw/zinc/62/41/04/342624104.db2.gz VXXVJCPODPAYIH-NSHDSACASA-N 1 2 265.382 1.846 20 30 CDEDLO CC[N@H+](CC(=O)NCc1cccs1)C[C@@H](C)C#N ZINC000198418405 342624105 /nfs/dbraw/zinc/62/41/05/342624105.db2.gz VXXVJCPODPAYIH-NSHDSACASA-N 1 2 265.382 1.846 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2cccc(F)c2)C1 ZINC000592147102 342673918 /nfs/dbraw/zinc/67/39/18/342673918.db2.gz INCBTNZAOXEDJY-CQSZACIVSA-N 1 2 277.299 1.115 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2cccc(F)c2)C1 ZINC000592147102 342673919 /nfs/dbraw/zinc/67/39/19/342673919.db2.gz INCBTNZAOXEDJY-CQSZACIVSA-N 1 2 277.299 1.115 20 30 CDEDLO N#CC[C@]1(O)CCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000591975964 342661103 /nfs/dbraw/zinc/66/11/03/342661103.db2.gz KVQMGWQBPHEBMB-HNNXBMFYSA-N 1 2 287.367 1.322 20 30 CDEDLO N#CC[C@]1(O)CCN(c2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000591975964 342661104 /nfs/dbraw/zinc/66/11/04/342661104.db2.gz KVQMGWQBPHEBMB-HNNXBMFYSA-N 1 2 287.367 1.322 20 30 CDEDLO COC(=O)[C@H](c1ccccc1C)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151027 342668784 /nfs/dbraw/zinc/66/87/84/342668784.db2.gz JGSVTTORAUTCOI-GOEBONIOSA-N 1 2 288.347 1.560 20 30 CDEDLO COC(=O)[C@H](c1ccccc1C)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592151027 342668785 /nfs/dbraw/zinc/66/87/85/342668785.db2.gz JGSVTTORAUTCOI-GOEBONIOSA-N 1 2 288.347 1.560 20 30 CDEDLO C[N@H+](CCC#N)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000156651007 361832467 /nfs/dbraw/zinc/83/24/67/361832467.db2.gz PXDBYKZNNCBGRT-SECBINFHSA-N 1 2 263.263 1.385 20 30 CDEDLO C[N@@H+](CCC#N)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000156651007 361832473 /nfs/dbraw/zinc/83/24/73/361832473.db2.gz PXDBYKZNNCBGRT-SECBINFHSA-N 1 2 263.263 1.385 20 30 CDEDLO COc1cc2c(cc1C[N@@H+]1CC[C@](O)(CC#N)C1)OCO2 ZINC000592523068 342702347 /nfs/dbraw/zinc/70/23/47/342702347.db2.gz VIPBSANANIBDPZ-OAHLLOKOSA-N 1 2 290.319 1.274 20 30 CDEDLO COc1cc2c(cc1C[N@H+]1CC[C@](O)(CC#N)C1)OCO2 ZINC000592523068 342702348 /nfs/dbraw/zinc/70/23/48/342702348.db2.gz VIPBSANANIBDPZ-OAHLLOKOSA-N 1 2 290.319 1.274 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000592522694 342702390 /nfs/dbraw/zinc/70/23/90/342702390.db2.gz QBRCZYWYUTWYTF-CYBMUJFWSA-N 1 2 270.254 1.954 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000592522694 342702391 /nfs/dbraw/zinc/70/23/91/342702391.db2.gz QBRCZYWYUTWYTF-CYBMUJFWSA-N 1 2 270.254 1.954 20 30 CDEDLO CC[C@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)[C@H](C)CO1 ZINC000593061117 342761025 /nfs/dbraw/zinc/76/10/25/342761025.db2.gz IJNOUDFBQIMLJD-NEPJUHHUSA-N 1 2 265.357 1.048 20 30 CDEDLO CC[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)[C@H](C)CO1 ZINC000593061117 342761026 /nfs/dbraw/zinc/76/10/26/342761026.db2.gz IJNOUDFBQIMLJD-NEPJUHHUSA-N 1 2 265.357 1.048 20 30 CDEDLO C[C@@H](CC(=O)N[C@]1(C#N)CCSC1)n1cc[nH+]c1 ZINC000593096789 342765676 /nfs/dbraw/zinc/76/56/76/342765676.db2.gz ZGHXHLSNAQYRQR-JQWIXIFHSA-N 1 2 264.354 1.350 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCCCC#N ZINC000593153066 342773819 /nfs/dbraw/zinc/77/38/19/342773819.db2.gz GYNGHGMWSANHIA-CYBMUJFWSA-N 1 2 250.346 1.421 20 30 CDEDLO C[C@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccncc1 ZINC000593154362 342774127 /nfs/dbraw/zinc/77/41/27/342774127.db2.gz JQJJZCWPGVBOQV-DOMZBBRYSA-N 1 2 274.368 1.535 20 30 CDEDLO C[C@@H]1CCC[C@H]1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593154850 342774255 /nfs/dbraw/zinc/77/42/55/342774255.db2.gz LPEGNPMEVIZLSP-DYEKYZERSA-N 1 2 251.374 1.773 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1ccccc1F ZINC000593155647 342774336 /nfs/dbraw/zinc/77/43/36/342774336.db2.gz NIWXUGRZENFHOV-HNNXBMFYSA-N 1 2 277.343 1.718 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1cc2ccccc2o1 ZINC000593155262 342774473 /nfs/dbraw/zinc/77/44/73/342774473.db2.gz GUTPAYYSAFNLQE-MRXNPFEDSA-N 1 2 285.347 1.935 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000593397288 342795001 /nfs/dbraw/zinc/79/50/01/342795001.db2.gz ZEZUJFZOVWISHW-CQSZACIVSA-N 1 2 272.352 1.276 20 30 CDEDLO CC[C@@H](F)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000440770513 361920406 /nfs/dbraw/zinc/92/04/06/361920406.db2.gz JTEQFIQNGAWIPS-CYBMUJFWSA-N 1 2 257.353 1.282 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000594009401 342863035 /nfs/dbraw/zinc/86/30/35/342863035.db2.gz JGKCGYMTABBVAP-GXTWGEPZSA-N 1 2 287.363 1.908 20 30 CDEDLO Cc1cc(C[NH+]2CCN(Cc3nnc[nH]3)CC2)ccc1C#N ZINC000602868223 539101365 /nfs/dbraw/zinc/10/13/65/539101365.db2.gz UMFDTTXTGOQFSG-UHFFFAOYSA-N 1 2 296.378 1.303 20 30 CDEDLO Cc1cc(C[NH+]2CCN(Cc3nc[nH]n3)CC2)ccc1C#N ZINC000602868223 539101366 /nfs/dbraw/zinc/10/13/66/539101366.db2.gz UMFDTTXTGOQFSG-UHFFFAOYSA-N 1 2 296.378 1.303 20 30 CDEDLO CC[C@H](NC(=O)[C@@H]1CCc2n[nH]nc2C1)c1[nH]cc[nH+]1 ZINC000329049862 529581175 /nfs/dbraw/zinc/58/11/75/529581175.db2.gz QYSKIIDIVCBUAZ-BDAKNGLRSA-N 1 2 274.328 1.741 20 30 CDEDLO N#CCC1CC[NH+](CC(=O)Nc2cnccn2)CC1 ZINC000595431519 343058892 /nfs/dbraw/zinc/05/88/92/343058892.db2.gz QVQLCWHFUOFUAZ-UHFFFAOYSA-N 1 2 259.313 1.041 20 30 CDEDLO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595547166 343084151 /nfs/dbraw/zinc/08/41/51/343084151.db2.gz MYAUDGAFDRFRIG-SECBINFHSA-N 1 2 258.281 1.840 20 30 CDEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595547166 343084152 /nfs/dbraw/zinc/08/41/52/343084152.db2.gz MYAUDGAFDRFRIG-SECBINFHSA-N 1 2 258.281 1.840 20 30 CDEDLO Cc1cc(C[N@H+](C)Cc2n[nH]c(=O)o2)ccc1C#N ZINC000595547176 343084284 /nfs/dbraw/zinc/08/42/84/343084284.db2.gz NCCVFKNNYJMLEJ-UHFFFAOYSA-N 1 2 258.281 1.587 20 30 CDEDLO Cc1cc(C[N@@H+](C)Cc2n[nH]c(=O)o2)ccc1C#N ZINC000595547176 343084286 /nfs/dbraw/zinc/08/42/86/343084286.db2.gz NCCVFKNNYJMLEJ-UHFFFAOYSA-N 1 2 258.281 1.587 20 30 CDEDLO CO[C@@H](C)c1noc(C[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595613448 343108779 /nfs/dbraw/zinc/10/87/79/343108779.db2.gz CTKLATAZAWDLOA-WDEREUQCSA-N 1 2 264.329 1.903 20 30 CDEDLO CO[C@@H](C)c1noc(C[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595613448 343108782 /nfs/dbraw/zinc/10/87/82/343108782.db2.gz CTKLATAZAWDLOA-WDEREUQCSA-N 1 2 264.329 1.903 20 30 CDEDLO N#CC1(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000619545632 349796721 /nfs/dbraw/zinc/79/67/21/349796721.db2.gz IKHJGXFUDYQUPY-AWEZNQCLSA-N 1 2 284.363 1.466 20 30 CDEDLO N#CC1(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000619545632 349796722 /nfs/dbraw/zinc/79/67/22/349796722.db2.gz IKHJGXFUDYQUPY-AWEZNQCLSA-N 1 2 284.363 1.466 20 30 CDEDLO COc1ccc(C[N@H+](C)Cc2nnc(C)o2)cc1C#N ZINC000595702478 343126583 /nfs/dbraw/zinc/12/65/83/343126583.db2.gz VQWWQNWVBCPHAI-UHFFFAOYSA-N 1 2 272.308 1.890 20 30 CDEDLO COc1ccc(C[N@@H+](C)Cc2nnc(C)o2)cc1C#N ZINC000595702478 343126584 /nfs/dbraw/zinc/12/65/84/343126584.db2.gz VQWWQNWVBCPHAI-UHFFFAOYSA-N 1 2 272.308 1.890 20 30 CDEDLO CCc1nc(C#N)cc(NC[C@H](C)Cn2cc[nH+]c2)n1 ZINC000596081157 343219954 /nfs/dbraw/zinc/21/99/54/343219954.db2.gz UAFXPZIVWPJPGA-NSHDSACASA-N 1 2 270.340 1.277 20 30 CDEDLO N#Cc1cnnc(NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000596081563 343220007 /nfs/dbraw/zinc/22/00/07/343220007.db2.gz ZURADFQCCWETBJ-UHFFFAOYSA-N 1 2 294.362 1.768 20 30 CDEDLO Cn1ncc(C#N)c1N1CCC(n2cc[nH+]c2)CC1 ZINC000596097775 343235440 /nfs/dbraw/zinc/23/54/40/343235440.db2.gz LIGDHNSYOWZZTQ-UHFFFAOYSA-N 1 2 256.313 1.330 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCOc3cc(F)ccc3C2)C1=O ZINC000626153321 342446438 /nfs/dbraw/zinc/44/64/38/342446438.db2.gz DKROBGLQUFIOJB-AWEZNQCLSA-N 1 2 290.338 1.807 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCOc3cc(F)ccc3C2)C1=O ZINC000626153321 342446439 /nfs/dbraw/zinc/44/64/39/342446439.db2.gz DKROBGLQUFIOJB-AWEZNQCLSA-N 1 2 290.338 1.807 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3cnccn3)CC2)o1 ZINC000157904473 136396313 /nfs/dbraw/zinc/39/63/13/136396313.db2.gz GRGJQGGHAKHJON-UHFFFAOYSA-N 1 2 269.308 1.263 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000619717169 349867888 /nfs/dbraw/zinc/86/78/88/349867888.db2.gz FCPSEVXGYWXGMG-QWHCGFSZSA-N 1 2 282.384 1.198 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000619717169 349867889 /nfs/dbraw/zinc/86/78/89/349867889.db2.gz FCPSEVXGYWXGMG-QWHCGFSZSA-N 1 2 282.384 1.198 20 30 CDEDLO COc1ccc(CC(N)=[NH+]O[C@H](C)c2nnc(C)o2)cc1 ZINC000174124184 365798684 /nfs/dbraw/zinc/79/86/84/365798684.db2.gz LZBAOROYBWMODT-SECBINFHSA-N 1 2 290.323 1.979 20 30 CDEDLO CC(C)(C(=O)NC[C@H]1CCCN(CC#N)C1)c1c[nH]c[nH+]1 ZINC000598687643 343866777 /nfs/dbraw/zinc/86/67/77/343866777.db2.gz PHJQJTRNVBDUQD-GFCCVEGCSA-N 1 2 289.383 1.039 20 30 CDEDLO CCOCc1nc([C@@H](C)[NH2+]C[C@H](O)CC(C)(C)C#N)no1 ZINC000598727111 343886310 /nfs/dbraw/zinc/88/63/10/343886310.db2.gz CLLVHGKBXMAKOA-GHMZBOCLSA-N 1 2 296.371 1.557 20 30 CDEDLO CCC(C#N)(CC)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000598991146 343935875 /nfs/dbraw/zinc/93/58/75/343935875.db2.gz LPQOZHIYIGKFRR-AWEZNQCLSA-N 1 2 295.427 1.789 20 30 CDEDLO CCc1nnc(NC[C@@H]2COCC[N@@H+]2C)c(C#N)c1CC ZINC000599161919 343971587 /nfs/dbraw/zinc/97/15/87/343971587.db2.gz XSJVIWJZMGDDFM-LLVKDONJSA-N 1 2 289.383 1.216 20 30 CDEDLO CCc1nnc(NC[C@@H]2COCC[N@H+]2C)c(C#N)c1CC ZINC000599161919 343971589 /nfs/dbraw/zinc/97/15/89/343971589.db2.gz XSJVIWJZMGDDFM-LLVKDONJSA-N 1 2 289.383 1.216 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000573614615 334952214 /nfs/dbraw/zinc/95/22/14/334952214.db2.gz LVQORJLPQKFSSH-DZKIICNBSA-N 1 2 289.354 1.889 20 30 CDEDLO C[C@@H](C(=O)N1CCCC(C)(C)[C@@H]1C#N)[NH+]1CCSCC1 ZINC000336143276 295718224 /nfs/dbraw/zinc/71/82/24/295718224.db2.gz VNWNEGAHTJSIKQ-STQMWFEESA-N 1 2 295.452 1.964 20 30 CDEDLO Cc1cn2ccc(C(=O)N3CC[C@@](O)(CC#N)C3)cc2[nH+]1 ZINC000602165046 344365130 /nfs/dbraw/zinc/36/51/30/344365130.db2.gz AVFKZVASYNGLAF-HNNXBMFYSA-N 1 2 284.319 1.133 20 30 CDEDLO N#Cc1cc(NCCCCn2cc[nH+]c2)nc(C2CC2)n1 ZINC000601137934 349912641 /nfs/dbraw/zinc/91/26/41/349912641.db2.gz KLPCECPMDRIMOD-UHFFFAOYSA-N 1 2 282.351 1.736 20 30 CDEDLO N#CCCN1CC[NH+](Cc2[nH]nc3ccccc32)CC1 ZINC000602749238 344567708 /nfs/dbraw/zinc/56/77/08/344567708.db2.gz ZGPXMSIFCBCNHQ-UHFFFAOYSA-N 1 2 269.352 1.594 20 30 CDEDLO N#CCCN1CC[NH+](Cc2n[nH]c3ccccc32)CC1 ZINC000602749238 344567709 /nfs/dbraw/zinc/56/77/09/344567709.db2.gz ZGPXMSIFCBCNHQ-UHFFFAOYSA-N 1 2 269.352 1.594 20 30 CDEDLO C[C@]1(C#N)CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000612159383 347061508 /nfs/dbraw/zinc/06/15/08/347061508.db2.gz AONCHSLSXZMGAE-CQSZACIVSA-N 1 2 290.323 1.382 20 30 CDEDLO C[C@]1(C#N)CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000612159383 347061512 /nfs/dbraw/zinc/06/15/12/347061512.db2.gz AONCHSLSXZMGAE-CQSZACIVSA-N 1 2 290.323 1.382 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000602860390 344616317 /nfs/dbraw/zinc/61/63/17/344616317.db2.gz BIIVIUAUXCEUFM-WDEREUQCSA-N 1 2 289.335 1.677 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000602861698 344617295 /nfs/dbraw/zinc/61/72/95/344617295.db2.gz HRHIVAGSPYLCDA-NSHDSACASA-N 1 2 289.335 1.678 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N1c2ccccc2C[C@H]1C ZINC000602861711 344617419 /nfs/dbraw/zinc/61/74/19/344617419.db2.gz HUGWYBUPDLJFLB-VXGBXAGGSA-N 1 2 257.337 1.856 20 30 CDEDLO CC[N@H+](CC1(CC#N)CC1)[C@H](C)CS(=O)(=O)CC ZINC000602788873 344600999 /nfs/dbraw/zinc/60/09/99/344600999.db2.gz WSSUPFVLJNSPTK-GFCCVEGCSA-N 1 2 272.414 1.825 20 30 CDEDLO CC[N@@H+](CC1(CC#N)CC1)[C@H](C)CS(=O)(=O)CC ZINC000602788873 344601001 /nfs/dbraw/zinc/60/10/01/344601001.db2.gz WSSUPFVLJNSPTK-GFCCVEGCSA-N 1 2 272.414 1.825 20 30 CDEDLO COc1ccncc1C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602848568 344625646 /nfs/dbraw/zinc/62/56/46/344625646.db2.gz GYNQIMSJAUOFPM-CHWSQXEVSA-N 1 2 274.368 1.508 20 30 CDEDLO Cc1ccccc1CCNC(=O)C[NH2+][C@H](C)CC#N ZINC000602864078 344637839 /nfs/dbraw/zinc/63/78/39/344637839.db2.gz QBBJUFOKNUKAMY-CYBMUJFWSA-N 1 2 259.353 1.546 20 30 CDEDLO CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N)c1 ZINC000602869058 344640126 /nfs/dbraw/zinc/64/01/26/344640126.db2.gz LWWXDWSOQFWCBP-WDEREUQCSA-N 1 2 288.351 1.265 20 30 CDEDLO CC(C)(C#N)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000604481453 344894713 /nfs/dbraw/zinc/89/47/13/344894713.db2.gz WDZKBGWBIBYCSI-UHFFFAOYSA-N 1 2 257.337 1.668 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618891163 345421698 /nfs/dbraw/zinc/42/16/98/345421698.db2.gz SSHKSLLQNUAONJ-HNNXBMFYSA-N 1 2 280.331 1.638 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccncc2F)C1=O ZINC000449301892 362644419 /nfs/dbraw/zinc/64/44/19/362644419.db2.gz IOYJDBCTWQJEGS-CYBMUJFWSA-N 1 2 263.316 1.439 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccncc2F)C1=O ZINC000449301892 362644426 /nfs/dbraw/zinc/64/44/26/362644426.db2.gz IOYJDBCTWQJEGS-CYBMUJFWSA-N 1 2 263.316 1.439 20 30 CDEDLO C=CCN(C(=O)CCc1c[nH+]cn1C)[C@H](C)COC ZINC000617582297 345867526 /nfs/dbraw/zinc/86/75/26/345867526.db2.gz KFJCBSNJLDACEI-GFCCVEGCSA-N 1 2 265.357 1.402 20 30 CDEDLO Cc1nc(N(C)C)nc(N[C@@H](C)c2cccc(C#N)c2)[nH+]1 ZINC000610864521 346471743 /nfs/dbraw/zinc/47/17/43/346471743.db2.gz LUAWVCFTVUYEAF-JTQLQIEISA-N 1 2 282.351 1.713 20 30 CDEDLO Cc1nc(N[C@@H](C)c2cccc(C#N)c2)nc(N(C)C)[nH+]1 ZINC000610864521 346471746 /nfs/dbraw/zinc/47/17/46/346471746.db2.gz LUAWVCFTVUYEAF-JTQLQIEISA-N 1 2 282.351 1.713 20 30 CDEDLO CCC[C@@H](C(=O)OCC)[NH+]1CCN(CCC#N)CC1 ZINC000611174744 346628000 /nfs/dbraw/zinc/62/80/00/346628000.db2.gz LYQLKPMHKXCSFZ-ZDUSSCGKSA-N 1 2 267.373 1.249 20 30 CDEDLO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ncc[nH]1 ZINC000611191066 346685584 /nfs/dbraw/zinc/68/55/84/346685584.db2.gz FMTJKIRPMBHKHT-UHFFFAOYSA-N 1 2 283.335 1.742 20 30 CDEDLO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ncc[nH]1 ZINC000611191066 346685587 /nfs/dbraw/zinc/68/55/87/346685587.db2.gz FMTJKIRPMBHKHT-UHFFFAOYSA-N 1 2 283.335 1.742 20 30 CDEDLO N#CC1(C[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)CC1 ZINC000611430007 346787024 /nfs/dbraw/zinc/78/70/24/346787024.db2.gz WQAADCXVKLDHQK-CYBMUJFWSA-N 1 2 273.336 1.664 20 30 CDEDLO N#CC1(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)CC1 ZINC000611430007 346787028 /nfs/dbraw/zinc/78/70/28/346787028.db2.gz WQAADCXVKLDHQK-CYBMUJFWSA-N 1 2 273.336 1.664 20 30 CDEDLO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)CC#N)cc1 ZINC000611465850 346791115 /nfs/dbraw/zinc/79/11/15/346791115.db2.gz SPANZZQEHUWZRE-LLVKDONJSA-N 1 2 266.366 1.872 20 30 CDEDLO N#Cc1ccc(Cl)cc1NC[C@H](O)C[NH+]1CCOCC1 ZINC000086114933 179234160 /nfs/dbraw/zinc/23/41/60/179234160.db2.gz WGEOJFCAYZNEDT-ZDUSSCGKSA-N 1 2 295.770 1.317 20 30 CDEDLO C#C[C@H]1COCCN1C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000491251970 347579878 /nfs/dbraw/zinc/57/98/78/347579878.db2.gz DNJIIDNSGKDOHQ-AWEZNQCLSA-N 1 2 298.346 1.186 20 30 CDEDLO C#C[C@H]1COCCN1C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000491661369 347585583 /nfs/dbraw/zinc/58/55/83/347585583.db2.gz NLOXCONIUDPQOW-AWEZNQCLSA-N 1 2 283.331 1.046 20 30 CDEDLO C=C[C@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)C(=O)OC ZINC000619701853 347890926 /nfs/dbraw/zinc/89/09/26/347890926.db2.gz XGKNRBLYUPSPGD-AWEZNQCLSA-N 1 2 294.395 1.485 20 30 CDEDLO N#Cc1cc(CN2CC[C@@H]([NH+]3CCOCC3)C2)ccc1F ZINC000121537575 365933633 /nfs/dbraw/zinc/93/36/33/365933633.db2.gz BCABANJXXCKFBP-OAHLLOKOSA-N 1 2 289.354 1.604 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000619717695 348184853 /nfs/dbraw/zinc/18/48/53/348184853.db2.gz APGYVQSNJJBIBX-STQMWFEESA-N 1 2 296.411 1.588 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000619717695 348184857 /nfs/dbraw/zinc/18/48/57/348184857.db2.gz APGYVQSNJJBIBX-STQMWFEESA-N 1 2 296.411 1.588 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000619718338 348187821 /nfs/dbraw/zinc/18/78/21/348187821.db2.gz JRSVTMXRXCRJHD-YPMHNXCESA-N 1 2 263.341 1.012 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000619718338 348187823 /nfs/dbraw/zinc/18/78/23/348187823.db2.gz JRSVTMXRXCRJHD-YPMHNXCESA-N 1 2 263.341 1.012 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000619720337 348193123 /nfs/dbraw/zinc/19/31/23/348193123.db2.gz CQSPWVRWULBCLE-QWHCGFSZSA-N 1 2 253.342 1.463 20 30 CDEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1nnc(C)o1 ZINC000544513732 348277109 /nfs/dbraw/zinc/27/71/09/348277109.db2.gz RXVIUDGVQIDCRE-JTQLQIEISA-N 1 2 264.329 1.229 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cc(Cl)cc(C#N)c1 ZINC000414131355 362921343 /nfs/dbraw/zinc/92/13/43/362921343.db2.gz ZJTVJUSULCDMCB-CYBMUJFWSA-N 1 2 293.754 1.797 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cc(Cl)cc(C#N)c1 ZINC000414131355 362921350 /nfs/dbraw/zinc/92/13/50/362921350.db2.gz ZJTVJUSULCDMCB-CYBMUJFWSA-N 1 2 293.754 1.797 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1cc(Cl)cc(C#N)c1 ZINC000414131356 362921379 /nfs/dbraw/zinc/92/13/79/362921379.db2.gz ZJTVJUSULCDMCB-ZDUSSCGKSA-N 1 2 293.754 1.797 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cc(Cl)cc(C#N)c1 ZINC000414131356 362921384 /nfs/dbraw/zinc/92/13/84/362921384.db2.gz ZJTVJUSULCDMCB-ZDUSSCGKSA-N 1 2 293.754 1.797 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1cnc2ccccc2c1 ZINC000414127539 362921044 /nfs/dbraw/zinc/92/10/44/362921044.db2.gz QGHRWFPJUWOKSF-AWEZNQCLSA-N 1 2 285.347 1.820 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cnc2ccccc2c1 ZINC000414127539 362921050 /nfs/dbraw/zinc/92/10/50/362921050.db2.gz QGHRWFPJUWOKSF-AWEZNQCLSA-N 1 2 285.347 1.820 20 30 CDEDLO CC(=O)c1ccc(F)cc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414150040 362924311 /nfs/dbraw/zinc/92/43/11/362924311.db2.gz VHTMUIDLMIKZAY-ZDUSSCGKSA-N 1 2 294.326 1.613 20 30 CDEDLO CC(=O)c1ccc(F)cc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414150040 362924317 /nfs/dbraw/zinc/92/43/17/362924317.db2.gz VHTMUIDLMIKZAY-ZDUSSCGKSA-N 1 2 294.326 1.613 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000015571313 348524664 /nfs/dbraw/zinc/52/46/64/348524664.db2.gz ZOCCOYNSJXPCLH-UHFFFAOYSA-N 1 2 284.363 1.606 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000015571313 348524666 /nfs/dbraw/zinc/52/46/66/348524666.db2.gz ZOCCOYNSJXPCLH-UHFFFAOYSA-N 1 2 284.363 1.606 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)COc1ccc(F)cc1 ZINC000066469567 348986292 /nfs/dbraw/zinc/98/62/92/348986292.db2.gz VKDZRMRGOZQYBE-AAEUAGOBSA-N 1 2 266.316 1.657 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)COc1ccc(F)cc1 ZINC000066469567 348986297 /nfs/dbraw/zinc/98/62/97/348986297.db2.gz VKDZRMRGOZQYBE-AAEUAGOBSA-N 1 2 266.316 1.657 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(Cl)o2)CC1 ZINC000068445002 349066574 /nfs/dbraw/zinc/06/65/74/349066574.db2.gz QLFVRUNSFDFQHS-UHFFFAOYSA-N 1 2 266.728 1.714 20 30 CDEDLO CC[NH+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC000073793690 349180141 /nfs/dbraw/zinc/18/01/41/349180141.db2.gz PRPFIWSOOLQNNC-UHFFFAOYSA-N 1 2 293.392 1.026 20 30 CDEDLO CCC[N@H+](Cc1cccc(C#N)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000602431800 350109762 /nfs/dbraw/zinc/10/97/62/350109762.db2.gz GIOZBLHKQREZTG-CQSZACIVSA-N 1 2 293.392 1.352 20 30 CDEDLO CCC[N@@H+](Cc1cccc(C#N)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000602431800 350109764 /nfs/dbraw/zinc/10/97/64/350109764.db2.gz GIOZBLHKQREZTG-CQSZACIVSA-N 1 2 293.392 1.352 20 30 CDEDLO Cn1ncc2c1CCC[N@H+](Cc1cccc(C#N)n1)C2 ZINC000602693760 350141581 /nfs/dbraw/zinc/14/15/81/350141581.db2.gz GUPGJACRLZYNOP-UHFFFAOYSA-N 1 2 267.336 1.635 20 30 CDEDLO Cn1ncc2c1CCC[N@@H+](Cc1cccc(C#N)n1)C2 ZINC000602693760 350141584 /nfs/dbraw/zinc/14/15/84/350141584.db2.gz GUPGJACRLZYNOP-UHFFFAOYSA-N 1 2 267.336 1.635 20 30 CDEDLO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602684478 350141968 /nfs/dbraw/zinc/14/19/68/350141968.db2.gz YSKHYOIGDFAFNC-CQSZACIVSA-N 1 2 293.392 1.352 20 30 CDEDLO CS(=O)(=O)C[C@H]1CCCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602684478 350141970 /nfs/dbraw/zinc/14/19/70/350141970.db2.gz YSKHYOIGDFAFNC-CQSZACIVSA-N 1 2 293.392 1.352 20 30 CDEDLO C[C@@H]1[C@@H](C)[N@H+](Cc2ccc(C#N)cn2)[C@@H](C)C(=O)N1C ZINC000602846195 350154774 /nfs/dbraw/zinc/15/47/74/350154774.db2.gz CLCLTVLQWMMPST-UTUOFQBUSA-N 1 2 272.352 1.393 20 30 CDEDLO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccc(C#N)cn2)[C@@H](C)C(=O)N1C ZINC000602846195 350154778 /nfs/dbraw/zinc/15/47/78/350154778.db2.gz CLCLTVLQWMMPST-UTUOFQBUSA-N 1 2 272.352 1.393 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620595576 350272104 /nfs/dbraw/zinc/27/21/04/350272104.db2.gz LCZLBAFESBXBJP-WDEREUQCSA-N 1 2 251.330 1.579 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)c2ccc(C#N)cc2)CCO1 ZINC000604563260 350377545 /nfs/dbraw/zinc/37/75/45/350377545.db2.gz VEOABTCQPXNULR-LBPRGKRZSA-N 1 2 273.336 1.009 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)cc2)CCO1 ZINC000604563260 350377546 /nfs/dbraw/zinc/37/75/46/350377546.db2.gz VEOABTCQPXNULR-LBPRGKRZSA-N 1 2 273.336 1.009 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)C[C@H](C)O1 ZINC000111276071 186387106 /nfs/dbraw/zinc/38/71/06/186387106.db2.gz DEIWILLXALMAED-SWLSCSKDSA-N 1 2 287.363 1.996 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)C[C@H](C)O1 ZINC000111276071 186387108 /nfs/dbraw/zinc/38/71/08/186387108.db2.gz DEIWILLXALMAED-SWLSCSKDSA-N 1 2 287.363 1.996 20 30 CDEDLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292212406 198204294 /nfs/dbraw/zinc/20/42/94/198204294.db2.gz OLHYAYIHUJFORM-AAEUAGOBSA-N 1 2 289.335 1.358 20 30 CDEDLO CCOC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292212406 198204296 /nfs/dbraw/zinc/20/42/96/198204296.db2.gz OLHYAYIHUJFORM-AAEUAGOBSA-N 1 2 289.335 1.358 20 30 CDEDLO C[C@@H](CNC(=O)COc1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000153400344 188080775 /nfs/dbraw/zinc/08/07/75/188080775.db2.gz WBCYLJMAYSURHH-ZDUSSCGKSA-N 1 2 298.346 1.586 20 30 CDEDLO O=C(C=Cc1c[nH]c[nH+]1)NCC#Cc1cccc(F)c1 ZINC000492759004 366180241 /nfs/dbraw/zinc/18/02/41/366180241.db2.gz BOVHSDGFKIBEBQ-SREVYHEPSA-N 1 2 269.279 1.730 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1ccc(F)c(F)c1 ZINC000493191487 366196650 /nfs/dbraw/zinc/19/66/50/366196650.db2.gz UJBBHWMSUVRDQT-ZKKXHLJNSA-N 1 2 293.317 1.938 20 30 CDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cnccc1C#N ZINC000286176081 356229491 /nfs/dbraw/zinc/22/94/91/356229491.db2.gz AFCPJIVQBSJHAN-OCCSQVGLSA-N 1 2 272.352 1.253 20 30 CDEDLO C[C@H](C(=O)NC[C@](C)(O)C1CC1)[NH+]1CCSCC1 ZINC000328895986 538442944 /nfs/dbraw/zinc/44/29/44/538442944.db2.gz BTSFPQORBICFLP-MFKMUULPSA-N 1 2 272.414 1.541 20 30 CDEDLO Cn1ncc2c1nc[nH+]c2NCCc1cccc(C#N)c1 ZINC000337943684 358508417 /nfs/dbraw/zinc/50/84/17/358508417.db2.gz VIXHQVLQBYUDIE-UHFFFAOYSA-N 1 2 278.319 1.890 20 30 CDEDLO Cc1csc(NC(=O)C[N@@H+]2CCCOCC2)n1 ZINC000329255151 538549239 /nfs/dbraw/zinc/54/92/39/538549239.db2.gz DGZCXBLFZNCXJC-UHFFFAOYSA-N 1 2 255.343 1.762 20 30 CDEDLO Cc1csc(NC(=O)C[N@H+]2CCCOCC2)n1 ZINC000329255151 538549250 /nfs/dbraw/zinc/54/92/50/538549250.db2.gz DGZCXBLFZNCXJC-UHFFFAOYSA-N 1 2 255.343 1.762 20 30 CDEDLO CCOC1CC(N(C)C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329751733 538639991 /nfs/dbraw/zinc/63/99/91/538639991.db2.gz VWVRBUWIKNYAKS-VOMCLLRMSA-N 1 2 292.383 1.680 20 30 CDEDLO CCOC1CC(N(C)C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329751733 538639998 /nfs/dbraw/zinc/63/99/98/538639998.db2.gz VWVRBUWIKNYAKS-VOMCLLRMSA-N 1 2 292.383 1.680 20 30 CDEDLO CCN1CC[N@H+](Cc2ccc(C#N)cn2)C[C@@H]1c1ncc[nH]1 ZINC000578638781 356765286 /nfs/dbraw/zinc/76/52/86/356765286.db2.gz HDUJLDWGGLZXOB-OAHLLOKOSA-N 1 2 296.378 1.555 20 30 CDEDLO CCN1CC[N@@H+](Cc2ccc(C#N)cn2)C[C@@H]1c1ncc[nH]1 ZINC000578638781 356765288 /nfs/dbraw/zinc/76/52/88/356765288.db2.gz HDUJLDWGGLZXOB-OAHLLOKOSA-N 1 2 296.378 1.555 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+](CC#C)Cc1ccccc1 ZINC000298581085 356901813 /nfs/dbraw/zinc/90/18/13/356901813.db2.gz QZQQADBWNLMUKW-CQSZACIVSA-N 1 2 254.333 1.260 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](CC#C)Cc1ccccc1 ZINC000298581085 356901815 /nfs/dbraw/zinc/90/18/15/356901815.db2.gz QZQQADBWNLMUKW-CQSZACIVSA-N 1 2 254.333 1.260 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000115577828 357301888 /nfs/dbraw/zinc/30/18/88/357301888.db2.gz UPIATQMYCSCZCS-CQSZACIVSA-N 1 2 293.411 1.782 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000115577828 357301891 /nfs/dbraw/zinc/30/18/91/357301891.db2.gz UPIATQMYCSCZCS-CQSZACIVSA-N 1 2 293.411 1.782 20 30 CDEDLO N#Cc1nc(N2CCn3c[nH+]cc3C2)ccc1Cl ZINC000290717409 283250983 /nfs/dbraw/zinc/25/09/83/283250983.db2.gz OYTHCASVOSXHAW-UHFFFAOYSA-N 1 2 259.700 1.823 20 30 CDEDLO COc1cc(C[N@@H+]2CC[C@H](C)[S@](=O)CC2)ccc1C#N ZINC000282451344 357348409 /nfs/dbraw/zinc/34/84/09/357348409.db2.gz VBHOWIAREUKPGO-FKIZINRSSA-N 1 2 292.404 1.910 20 30 CDEDLO COc1cc(C[N@H+]2CC[C@H](C)[S@](=O)CC2)ccc1C#N ZINC000282451344 357348413 /nfs/dbraw/zinc/34/84/13/357348413.db2.gz VBHOWIAREUKPGO-FKIZINRSSA-N 1 2 292.404 1.910 20 30 CDEDLO CC(C)[C@@H](NC(=O)c1ccc(C#N)[nH]1)c1[nH]cc[nH+]1 ZINC000283040184 357520160 /nfs/dbraw/zinc/52/01/60/357520160.db2.gz PIKHFZUIBZEHHC-LLVKDONJSA-N 1 2 257.297 1.737 20 30 CDEDLO N#C[C@H]1CCC[C@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000336030599 358052199 /nfs/dbraw/zinc/05/21/99/358052199.db2.gz LARJRGIPMNZCBP-GHMZBOCLSA-N 1 2 259.313 1.101 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cccc(C#N)c1 ZINC000567246527 358650094 /nfs/dbraw/zinc/65/00/94/358650094.db2.gz MRYOTNVXVBRBEW-NSHDSACASA-N 1 2 268.320 1.776 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cccc(C#N)c1 ZINC000567246527 358650101 /nfs/dbraw/zinc/65/01/01/358650101.db2.gz MRYOTNVXVBRBEW-NSHDSACASA-N 1 2 268.320 1.776 20 30 CDEDLO Cn1ncc2c1nc[nH+]c2N1CCC[C@H](CC#N)C1 ZINC000596331666 358660451 /nfs/dbraw/zinc/66/04/51/358660451.db2.gz SQLTZIGZXGDNPU-SNVBAGLBSA-N 1 2 256.313 1.493 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)CC2(C#N)CCCCC2)C1 ZINC000597002329 358675508 /nfs/dbraw/zinc/67/55/08/358675508.db2.gz BAFCPAZAICTBEI-CYBMUJFWSA-N 1 2 279.384 1.297 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)CC2(C#N)CCCCC2)C1 ZINC000597002329 358675512 /nfs/dbraw/zinc/67/55/12/358675512.db2.gz 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/nfs/dbraw/zinc/35/17/71/359351771.db2.gz MUMMHCGYMJTSCU-UHFFFAOYSA-N 1 2 287.319 1.439 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000267312004 359351776 /nfs/dbraw/zinc/35/17/76/359351776.db2.gz MUMMHCGYMJTSCU-UHFFFAOYSA-N 1 2 287.319 1.439 20 30 CDEDLO N#Cc1ccccc1N1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000328612823 359442233 /nfs/dbraw/zinc/44/22/33/359442233.db2.gz PTKZNPSLZQWDQC-OAHLLOKOSA-N 1 2 284.363 1.799 20 30 CDEDLO C=CCN(CC=C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000277600139 359565724 /nfs/dbraw/zinc/56/57/24/359565724.db2.gz OOUHELSTJWNAIK-UHFFFAOYSA-N 1 2 279.384 1.235 20 30 CDEDLO N#Cc1cncnc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000571399559 359563109 /nfs/dbraw/zinc/56/31/09/359563109.db2.gz VFNCYSPRDXXRCB-CYBMUJFWSA-N 1 2 267.292 1.401 20 30 CDEDLO N#Cc1cncnc1NCCCCNc1cccc[nH+]1 ZINC000571563419 359585619 /nfs/dbraw/zinc/58/56/19/359585619.db2.gz QXOQZDNMDQUSKU-UHFFFAOYSA-N 1 2 268.324 1.469 20 30 CDEDLO C[C@]1([NH2+]CCCOc2cccc(C#N)c2)CCOC1=O ZINC000289643085 359657849 /nfs/dbraw/zinc/65/78/49/359657849.db2.gz SNZMNLWNYDXQOO-HNNXBMFYSA-N 1 2 274.320 1.622 20 30 CDEDLO CC#CCN(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000297459034 200197411 /nfs/dbraw/zinc/19/74/11/200197411.db2.gz VURPUZYHBUTOHX-CYBMUJFWSA-N 1 2 272.352 1.325 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCN(C)[C@H](C(C)C)C2)C1=O ZINC000337212245 360041133 /nfs/dbraw/zinc/04/11/33/360041133.db2.gz VHZKGVLBXHWZEQ-KBPBESRZSA-N 1 2 265.401 1.045 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCN(C)[C@H](C(C)C)C2)C1=O ZINC000337212245 360041134 /nfs/dbraw/zinc/04/11/34/360041134.db2.gz VHZKGVLBXHWZEQ-KBPBESRZSA-N 1 2 265.401 1.045 20 30 CDEDLO COCC[N@H+](Cc1cncn1C)Cc1ccc(C#N)cc1 ZINC000177027616 189022188 /nfs/dbraw/zinc/02/21/88/189022188.db2.gz KDFMBJMBNYUVSH-UHFFFAOYSA-N 1 2 284.363 1.940 20 30 CDEDLO COCC[N@@H+](Cc1cncn1C)Cc1ccc(C#N)cc1 ZINC000177027616 189022189 /nfs/dbraw/zinc/02/21/89/189022189.db2.gz KDFMBJMBNYUVSH-UHFFFAOYSA-N 1 2 284.363 1.940 20 30 CDEDLO Cn1cnc(C[NH2+]Cc2cccc(OCCCC#N)c2)n1 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CCC[N@@H+](CC#Cc1ccc(Cl)cc1)CC(N)=O ZINC000429164605 360770145 /nfs/dbraw/zinc/77/01/45/360770145.db2.gz QZMDFKMOXIVRSJ-UHFFFAOYSA-N 1 2 264.756 1.889 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000157663204 360944311 /nfs/dbraw/zinc/94/43/11/360944311.db2.gz NYJGWPLTUGCJHQ-AGIUHOORSA-N 1 2 267.373 1.152 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000157663204 360944314 /nfs/dbraw/zinc/94/43/14/360944314.db2.gz NYJGWPLTUGCJHQ-AGIUHOORSA-N 1 2 267.373 1.152 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000432225641 361126243 /nfs/dbraw/zinc/12/62/43/361126243.db2.gz GXLFSOXVCVQFFA-CQSZACIVSA-N 1 2 295.427 1.751 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000432225641 361126248 /nfs/dbraw/zinc/12/62/48/361126248.db2.gz GXLFSOXVCVQFFA-CQSZACIVSA-N 1 2 295.427 1.751 20 30 CDEDLO C[N@H+](CC(=O)N1CCCCCC1)CC(C)(C)C#N ZINC000433321204 361234300 /nfs/dbraw/zinc/23/43/00/361234300.db2.gz 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C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CCOCC2(CC2)C1 ZINC000329477384 361523323 /nfs/dbraw/zinc/52/33/23/361523323.db2.gz UMRNANKYOOJAID-NSHDSACASA-N 1 2 276.340 1.566 20 30 CDEDLO COCC[N@H+](CCC#N)CCC(=O)N(C)c1ccccc1 ZINC000135119803 361692073 /nfs/dbraw/zinc/69/20/73/361692073.db2.gz ARCRGGONFBQTGG-UHFFFAOYSA-N 1 2 289.379 1.902 20 30 CDEDLO COCC[N@@H+](CCC#N)CCC(=O)N(C)c1ccccc1 ZINC000135119803 361692081 /nfs/dbraw/zinc/69/20/81/361692081.db2.gz ARCRGGONFBQTGG-UHFFFAOYSA-N 1 2 289.379 1.902 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCC[C@H]2CCOC2)C1 ZINC000329673479 361700122 /nfs/dbraw/zinc/70/01/22/361700122.db2.gz UYHVJUQARDFULH-QWHCGFSZSA-N 1 2 292.383 1.550 20 30 CDEDLO C[C@H](CCC#N)[N@@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000497064460 366865415 /nfs/dbraw/zinc/86/54/15/366865415.db2.gz OKGBSGFGEJJGFS-OLZOCXBDSA-N 1 2 297.399 1.904 20 30 CDEDLO C[C@H](CCC#N)[N@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000497064460 366865420 /nfs/dbraw/zinc/86/54/20/366865420.db2.gz 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367569372 /nfs/dbraw/zinc/56/93/72/367569372.db2.gz HPBORBWIZJEXDI-UHFFFAOYSA-N 1 2 269.142 1.745 20 30 CDEDLO C[N@@H+](CCO)Cc1ccc(C#N)cc1Br ZINC000272247705 367569378 /nfs/dbraw/zinc/56/93/78/367569378.db2.gz HPBORBWIZJEXDI-UHFFFAOYSA-N 1 2 269.142 1.745 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)N[C@]3(C#N)CCOC3)cc2n1C ZINC000526017014 367758969 /nfs/dbraw/zinc/75/89/69/367758969.db2.gz INTCKRFZIIUIBS-HNNXBMFYSA-N 1 2 284.319 1.294 20 30 CDEDLO C[C@H]1CC(F)(F)CC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000528766183 367975892 /nfs/dbraw/zinc/97/58/92/367975892.db2.gz DKMNEDUVVAHJMD-JTQLQIEISA-N 1 2 271.311 1.668 20 30 CDEDLO C[C@H]1CC(F)(F)CC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000528766183 367975897 /nfs/dbraw/zinc/97/58/97/367975897.db2.gz DKMNEDUVVAHJMD-JTQLQIEISA-N 1 2 271.311 1.668 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2occ3c2CCOC3)CC1 ZINC000375717858 370929036 /nfs/dbraw/zinc/92/90/36/370929036.db2.gz QGAIRBXABTYCTF-UHFFFAOYSA-N 1 2 288.347 1.133 20 30 CDEDLO C=CCCN(C)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000276402228 193317959 /nfs/dbraw/zinc/31/79/59/193317959.db2.gz KQIBOBBQCHVLAN-UHFFFAOYSA-N 1 2 261.325 1.671 20 30 CDEDLO CCn1cc[nH+]c1CNC(=O)COc1ccc(C#N)cc1 ZINC000295574595 376200009 /nfs/dbraw/zinc/20/00/09/376200009.db2.gz GNIDJUATCQWWOG-UHFFFAOYSA-N 1 2 284.319 1.470 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000293269547 370573391 /nfs/dbraw/zinc/57/33/91/370573391.db2.gz UVRAEIBVUINDCR-UHFFFAOYSA-N 1 2 274.320 1.367 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000293269547 370573394 /nfs/dbraw/zinc/57/33/94/370573394.db2.gz UVRAEIBVUINDCR-UHFFFAOYSA-N 1 2 274.320 1.367 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCOC[C@H]1C1CCC1)C1CC1 ZINC000573841486 371677855 /nfs/dbraw/zinc/67/78/55/371677855.db2.gz VWFJUZCACBOOQD-GOEBONIOSA-N 1 2 291.395 1.296 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCOC[C@H]1C1CCC1)C1CC1 ZINC000573841486 371677863 /nfs/dbraw/zinc/67/78/63/371677863.db2.gz VWFJUZCACBOOQD-GOEBONIOSA-N 1 2 291.395 1.296 20 30 CDEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC1(C#N)CCC1 ZINC000573773472 371652200 /nfs/dbraw/zinc/65/22/00/371652200.db2.gz RKNBFQQTPQUMTO-UPJWGTAASA-N 1 2 262.353 1.954 20 30 CDEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC1(C#N)CCC1 ZINC000573773472 371652208 /nfs/dbraw/zinc/65/22/08/371652208.db2.gz RKNBFQQTPQUMTO-UPJWGTAASA-N 1 2 262.353 1.954 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C#N)CCSCC1 ZINC000577862541 372148860 /nfs/dbraw/zinc/14/88/60/372148860.db2.gz ALCMETKGAHSRPN-SNVBAGLBSA-N 1 2 278.381 1.494 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C#N)CCSCC1 ZINC000577862541 372148864 /nfs/dbraw/zinc/14/88/64/372148864.db2.gz ALCMETKGAHSRPN-SNVBAGLBSA-N 1 2 278.381 1.494 20 30 CDEDLO C=CCOCC[NH2+][C@H](C(=O)OC)[C@H]1CCC[C@H](OC)C1 ZINC000578016825 372224979 /nfs/dbraw/zinc/22/49/79/372224979.db2.gz MBQMBRXSQCVBON-IHRRRGAJSA-N 1 2 285.384 1.525 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)c(F)c1 ZINC000275049072 372306710 /nfs/dbraw/zinc/30/67/10/372306710.db2.gz ZTYZUKZTRMWALX-UHFFFAOYSA-N 1 2 284.294 1.339 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCc3n[nH]c(=O)cc3C2)c(F)c1 ZINC000275049072 372306714 /nfs/dbraw/zinc/30/67/14/372306714.db2.gz ZTYZUKZTRMWALX-UHFFFAOYSA-N 1 2 284.294 1.339 20 30 CDEDLO CC(C)(C#N)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000579510711 372579094 /nfs/dbraw/zinc/57/90/94/372579094.db2.gz USKAILJLIGCEPF-UHFFFAOYSA-N 1 2 259.300 1.382 20 30 CDEDLO CN(CC[NH+]1CCOCC1)c1c(C#N)cnc2ccccc21 ZINC000266421153 372781506 /nfs/dbraw/zinc/78/15/06/372781506.db2.gz SCYWCPKSPCQWFE-UHFFFAOYSA-N 1 2 296.374 1.875 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)c1c[nH]c(C#N)c1 ZINC000348303413 373101570 /nfs/dbraw/zinc/10/15/70/373101570.db2.gz MHMAYJFIOGYQGQ-UHFFFAOYSA-N 1 2 256.265 1.220 20 30 CDEDLO C=CCC1(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CCC1 ZINC000191293000 373475529 /nfs/dbraw/zinc/47/55/29/373475529.db2.gz OSGFXDPNTGUUSF-UONOGXRCSA-N 1 2 280.412 1.958 20 30 CDEDLO Cc1cc(NCCCc2[nH]nc(N)c2C#N)nc[nH+]1 ZINC000301250816 373878994 /nfs/dbraw/zinc/87/89/94/373878994.db2.gz PUEUWPRDLCITOG-UHFFFAOYSA-N 1 2 257.301 1.007 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c(C(F)(F)F)c1 ZINC000356389176 373843830 /nfs/dbraw/zinc/84/38/30/373843830.db2.gz HVOIJFZGMAZGQF-TXEJJXNPSA-N 1 2 286.253 1.114 20 30 CDEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c(C(F)(F)F)c1 ZINC000356389176 373843835 /nfs/dbraw/zinc/84/38/35/373843835.db2.gz HVOIJFZGMAZGQF-TXEJJXNPSA-N 1 2 286.253 1.114 20 30 CDEDLO N#Cc1cccc(Nc2ccc(N3CCNC(=O)C3)[nH+]c2)n1 ZINC000301807906 373921246 /nfs/dbraw/zinc/92/12/46/373921246.db2.gz ARPJQPZVVRQAMK-UHFFFAOYSA-N 1 2 294.318 1.028 20 30 CDEDLO Cc1nc(NC(=O)C[C@H](C)n2cc[nH+]c2)ccc1C#N ZINC000515851330 374149867 /nfs/dbraw/zinc/14/98/67/374149867.db2.gz DJDACDDAXMWSQZ-JTQLQIEISA-N 1 2 269.308 1.470 20 30 CDEDLO Cc1cc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)ccc1C#N ZINC000488998199 374228814 /nfs/dbraw/zinc/22/88/14/374228814.db2.gz WPYUOIGRVOBJGE-GFCCVEGCSA-N 1 2 257.337 1.529 20 30 CDEDLO Cc1cc(C[N@H+]2CCN(C)C(=O)[C@H]2C)ccc1C#N ZINC000488998199 374228823 /nfs/dbraw/zinc/22/88/23/374228823.db2.gz WPYUOIGRVOBJGE-GFCCVEGCSA-N 1 2 257.337 1.529 20 30 CDEDLO COCC[NH+]1CCN(C(=O)c2sccc2C#N)CC1 ZINC000112913500 374234992 /nfs/dbraw/zinc/23/49/92/374234992.db2.gz SNYZUFLAGNNBOJ-UHFFFAOYSA-N 1 2 279.365 1.024 20 30 CDEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000113257431 374247530 /nfs/dbraw/zinc/24/75/30/374247530.db2.gz GUGCYUMKOQJVQH-RYUDHWBXSA-N 1 2 280.393 1.812 20 30 CDEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000113257431 374247533 /nfs/dbraw/zinc/24/75/33/374247533.db2.gz GUGCYUMKOQJVQH-RYUDHWBXSA-N 1 2 280.393 1.812 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3ccc(C#N)cc3Cl)C[C@@H]21 ZINC000351994500 374291853 /nfs/dbraw/zinc/29/18/53/374291853.db2.gz KAULZTLTQCMFLX-GJZGRUSLSA-N 1 2 291.782 1.726 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3ccc(C#N)cc3Cl)C[C@@H]21 ZINC000351994500 374291858 /nfs/dbraw/zinc/29/18/58/374291858.db2.gz KAULZTLTQCMFLX-GJZGRUSLSA-N 1 2 291.782 1.726 20 30 CDEDLO CN1CCO[C@H]2C[N@H+](Cc3ccc(C#N)cc3Cl)C[C@@H]21 ZINC000351994500 374291866 /nfs/dbraw/zinc/29/18/66/374291866.db2.gz KAULZTLTQCMFLX-GJZGRUSLSA-N 1 2 291.782 1.726 20 30 CDEDLO CN1CCO[C@H]2C[N@@H+](Cc3ccc(C#N)cc3Cl)C[C@@H]21 ZINC000351994500 374291874 /nfs/dbraw/zinc/29/18/74/374291874.db2.gz KAULZTLTQCMFLX-GJZGRUSLSA-N 1 2 291.782 1.726 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000280657462 375010027 /nfs/dbraw/zinc/01/00/27/375010027.db2.gz XAFLWQMHWMKZPN-VIFPVBQESA-N 1 2 258.281 1.475 20 30 CDEDLO Cc1nc(N2CC(O)(CC#N)C2)c2c([nH+]1)CCCC2 ZINC000302832883 375259239 /nfs/dbraw/zinc/25/92/39/375259239.db2.gz RUIBMIZSCFWLMU-UHFFFAOYSA-N 1 2 258.325 1.129 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)/C=C\c1ccc(C#N)cc1 ZINC000493366857 375447768 /nfs/dbraw/zinc/44/77/68/375447768.db2.gz KAVBJGFCDOLJDU-SREVYHEPSA-N 1 2 266.304 1.621 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C#N)CC1 ZINC000057879930 375595958 /nfs/dbraw/zinc/59/59/58/375595958.db2.gz XBNHSVGMRYUIEK-ZDUSSCGKSA-N 1 2 288.395 1.953 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000135023202 375672252 /nfs/dbraw/zinc/67/22/52/375672252.db2.gz SCLBMKAECZQPBV-GUTXKFCHSA-N 1 2 268.401 1.814 20 30 CDEDLO Cc1[nH]c(C(=O)N[C@@H](C)c2nnc3n2CCCC3)c[nH+]1 ZINC000328776624 375953063 /nfs/dbraw/zinc/95/30/63/375953063.db2.gz LDQLTVZTFKVUPW-QMMMGPOBSA-N 1 2 274.328 1.712 20 30 CDEDLO C[C@@H]1COCCN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328597589 375918794 /nfs/dbraw/zinc/91/87/94/375918794.db2.gz AKGYATWGYLUKQH-NEPJUHHUSA-N 1 2 278.356 1.395 20 30 CDEDLO Cc1[nH]c(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)c[nH+]1 ZINC000328752389 375943789 /nfs/dbraw/zinc/94/37/89/375943789.db2.gz CVPAYMLFQROFRR-LLVKDONJSA-N 1 2 279.340 1.751 20 30 CDEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)NCC1(C#N)CCC1 ZINC000419510554 376140709 /nfs/dbraw/zinc/14/07/09/376140709.db2.gz VPLOUYWGDQCYCP-NSHDSACASA-N 1 2 275.356 1.957 20 30 CDEDLO CN(C)c1ccc(CNC(=O)NC[C@@H]2CC[C@@H](O)C2)c[nH+]1 ZINC000331012009 376450926 /nfs/dbraw/zinc/45/09/26/376450926.db2.gz JSSLKAKKPJVGJE-DGCLKSJQSA-N 1 2 292.383 1.312 20 30 CDEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)NCC#N ZINC000072692949 376803825 /nfs/dbraw/zinc/80/38/25/376803825.db2.gz KVEPHCQVTNXPCA-UHFFFAOYSA-N 1 2 250.346 1.278 20 30 CDEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)NCC#N ZINC000072692949 376803831 /nfs/dbraw/zinc/80/38/31/376803831.db2.gz KVEPHCQVTNXPCA-UHFFFAOYSA-N 1 2 250.346 1.278 20 30 CDEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N1CCOCC1 ZINC000072692868 376804331 /nfs/dbraw/zinc/80/43/31/376804331.db2.gz IUNPLKHASWDKKW-UHFFFAOYSA-N 1 2 281.400 1.497 20 30 CDEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N1CCOCC1 ZINC000072692868 376804341 /nfs/dbraw/zinc/80/43/41/376804341.db2.gz IUNPLKHASWDKKW-UHFFFAOYSA-N 1 2 281.400 1.497 20 30 CDEDLO C=CCNC(=O)C[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000247703883 377167241 /nfs/dbraw/zinc/16/72/41/377167241.db2.gz YKWUFRKJSOLJEK-DZGCQCFKSA-N 1 2 274.364 1.751 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000247703883 377167246 /nfs/dbraw/zinc/16/72/46/377167246.db2.gz YKWUFRKJSOLJEK-DZGCQCFKSA-N 1 2 274.364 1.751 20 30 CDEDLO C#CC[NH+]1CCN(c2ccnc(Cc3ccccc3)n2)CC1 ZINC000165385967 377242297 /nfs/dbraw/zinc/24/22/97/377242297.db2.gz NFBKDNOQIMHYMO-UHFFFAOYSA-N 1 2 292.386 1.823 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000076193698 377466878 /nfs/dbraw/zinc/46/68/78/377466878.db2.gz ALBLKRNJBDIDCS-UHFFFAOYSA-N 1 2 285.819 1.369 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000076193698 377466881 /nfs/dbraw/zinc/46/68/81/377466881.db2.gz ALBLKRNJBDIDCS-UHFFFAOYSA-N 1 2 285.819 1.369 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N[C@@H](C)c1ccccc1OC ZINC000192237547 378178558 /nfs/dbraw/zinc/17/85/58/378178558.db2.gz VRFQHSLYOCUMSW-LBPRGKRZSA-N 1 2 260.337 1.437 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N[C@@H](C)c1ccccc1OC ZINC000192237547 378178565 /nfs/dbraw/zinc/17/85/65/378178565.db2.gz VRFQHSLYOCUMSW-LBPRGKRZSA-N 1 2 260.337 1.437 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccsc1C(=O)OC ZINC000293146963 378542496 /nfs/dbraw/zinc/54/24/96/378542496.db2.gz NWFNACTVZDQJSB-UHFFFAOYSA-N 1 2 280.349 1.428 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1ccsc1C(=O)OC ZINC000293146963 378542502 /nfs/dbraw/zinc/54/25/02/378542502.db2.gz NWFNACTVZDQJSB-UHFFFAOYSA-N 1 2 280.349 1.428 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(Cl)cn1 ZINC000293079868 378535858 /nfs/dbraw/zinc/53/58/58/378535858.db2.gz JPXYSLWRBBCEIF-UHFFFAOYSA-N 1 2 251.717 1.629 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(Cl)cn1 ZINC000293079868 378535868 /nfs/dbraw/zinc/53/58/68/378535868.db2.gz JPXYSLWRBBCEIF-UHFFFAOYSA-N 1 2 251.717 1.629 20 30 CDEDLO N#Cc1ccncc1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000345408380 378639463 /nfs/dbraw/zinc/63/94/63/378639463.db2.gz QNIVRBAZUJPPEW-AWEZNQCLSA-N 1 2 294.314 1.642 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](c2nccn2C)C2CC2)C1=O ZINC000639132053 378767094 /nfs/dbraw/zinc/76/70/94/378767094.db2.gz DDDGUSFQKXEVMH-KGLIPLIRSA-N 1 2 288.395 1.590 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](c2nccn2C)C2CC2)C1=O ZINC000639132053 378767098 /nfs/dbraw/zinc/76/70/98/378767098.db2.gz DDDGUSFQKXEVMH-KGLIPLIRSA-N 1 2 288.395 1.590 20 30 CDEDLO C=C(CC)C[N@@H+]1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000343922717 379020639 /nfs/dbraw/zinc/02/06/39/379020639.db2.gz KDDZHWVABAVZBF-OAHLLOKOSA-N 1 2 258.365 1.996 20 30 CDEDLO C=C(CC)C[N@H+]1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000343922717 379020643 /nfs/dbraw/zinc/02/06/43/379020643.db2.gz KDDZHWVABAVZBF-OAHLLOKOSA-N 1 2 258.365 1.996 20 30 CDEDLO C#CCCCC(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000191936995 533006962 /nfs/dbraw/zinc/00/69/62/533006962.db2.gz XDLWDEZOVTVVBL-UHFFFAOYSA-N 1 2 289.379 1.739 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000192220396 533112921 /nfs/dbraw/zinc/11/29/21/533112921.db2.gz FQIRJQLLBMSRFX-SECBINFHSA-N 1 2 251.717 1.627 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000192220396 533112924 /nfs/dbraw/zinc/11/29/24/533112924.db2.gz FQIRJQLLBMSRFX-SECBINFHSA-N 1 2 251.717 1.627 20 30 CDEDLO C[C@@H]1CCN(C(=O)c2cc(C#N)ccn2)C[C@H]1n1cc[nH+]c1 ZINC000288256591 197037670 /nfs/dbraw/zinc/03/76/70/197037670.db2.gz FPYQIZAWZJIKQA-IUODEOHRSA-N 1 2 295.346 1.873 20 30 CDEDLO C=CC[C@H](CC)NC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000281318950 195194626 /nfs/dbraw/zinc/19/46/26/195194626.db2.gz AULRGSFKOYYZLJ-JTQLQIEISA-N 1 2 277.324 1.500 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N2CCCCCC2)C1=O ZINC000281337321 195202014 /nfs/dbraw/zinc/20/20/14/195202014.db2.gz MGPMMTGHADZDRK-CQSZACIVSA-N 1 2 293.411 1.108 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N2CCCCCC2)C1=O ZINC000281337321 195202016 /nfs/dbraw/zinc/20/20/16/195202016.db2.gz MGPMMTGHADZDRK-CQSZACIVSA-N 1 2 293.411 1.108 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCCOCC(F)F)cc1 ZINC000189244908 262169763 /nfs/dbraw/zinc/16/97/63/262169763.db2.gz LBBOYLJBRGQYLI-UHFFFAOYSA-N 1 2 274.267 1.614 20 30 CDEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1)C(C)C ZINC000281635828 195316142 /nfs/dbraw/zinc/31/61/42/195316142.db2.gz WDWMBSKRWFDAMT-CYBMUJFWSA-N 1 2 298.346 1.355 20 30 CDEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)NC(=O)NCC=C ZINC000298615187 390413422 /nfs/dbraw/zinc/41/34/22/390413422.db2.gz UEZDTODKQDUXKH-AWEZNQCLSA-N 1 2 299.374 1.522 20 30 CDEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)NC(=O)NCC=C ZINC000298615187 390413428 /nfs/dbraw/zinc/41/34/28/390413428.db2.gz UEZDTODKQDUXKH-AWEZNQCLSA-N 1 2 299.374 1.522 20 30 CDEDLO Cc1noc([C@H](C)N2CC[NH+](CCCC#N)CC2)n1 ZINC000105864135 390520796 /nfs/dbraw/zinc/52/07/96/390520796.db2.gz SWPOGZMXCXFZQT-NSHDSACASA-N 1 2 263.345 1.360 20 30 CDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccc(C#N)cc1 ZINC000112335945 390686401 /nfs/dbraw/zinc/68/64/01/390686401.db2.gz GAEITYPSDCWNMN-UHFFFAOYSA-N 1 2 274.324 1.262 20 30 CDEDLO CCC[NH+]1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000188377911 390957472 /nfs/dbraw/zinc/95/74/72/390957472.db2.gz CRFCERVMNXDUEK-UHFFFAOYSA-N 1 2 273.336 1.432 20 30 CDEDLO CO[C@]1(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCOC1 ZINC000329597088 391023903 /nfs/dbraw/zinc/02/39/03/391023903.db2.gz IVFSFRBUCGUUQA-NOZJJQNGSA-N 1 2 265.313 1.029 20 30 CDEDLO CO[C@]1(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCOC1 ZINC000329597088 391023905 /nfs/dbraw/zinc/02/39/05/391023905.db2.gz IVFSFRBUCGUUQA-NOZJJQNGSA-N 1 2 265.313 1.029 20 30 CDEDLO C=CCC(C)(C)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000351818597 391098319 /nfs/dbraw/zinc/09/83/19/391098319.db2.gz HHNZJGGRLPPGKK-ZDUSSCGKSA-N 1 2 268.401 1.768 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@@H](C2CC2)C1 ZINC000329617269 391033982 /nfs/dbraw/zinc/03/39/82/391033982.db2.gz QCTDEVOJOCALMW-VXGBXAGGSA-N 1 2 274.368 1.913 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000348929495 391120751 /nfs/dbraw/zinc/12/07/51/391120751.db2.gz VDZOBEGFUXEWIX-COMQUAJESA-N 1 2 281.400 1.539 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000348929495 391120754 /nfs/dbraw/zinc/12/07/54/391120754.db2.gz VDZOBEGFUXEWIX-COMQUAJESA-N 1 2 281.400 1.539 20 30 CDEDLO N#CCC[N@@H+](Cc1cn2cccnc2n1)CC1CC1 ZINC000176253614 391149505 /nfs/dbraw/zinc/14/95/05/391149505.db2.gz HSSFNJWKSUQMRF-UHFFFAOYSA-N 1 2 255.325 1.855 20 30 CDEDLO N#CCC[N@H+](Cc1cn2cccnc2n1)CC1CC1 ZINC000176253614 391149508 /nfs/dbraw/zinc/14/95/08/391149508.db2.gz HSSFNJWKSUQMRF-UHFFFAOYSA-N 1 2 255.325 1.855 20 30 CDEDLO N#CCC1(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000373781980 391131474 /nfs/dbraw/zinc/13/14/74/391131474.db2.gz JOUMKFHRIUCZAR-ZDUSSCGKSA-N 1 2 299.378 1.653 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(F)(C#N)CC1 ZINC000352448898 391141279 /nfs/dbraw/zinc/14/12/79/391141279.db2.gz JTELOGARUMSDKO-LLVKDONJSA-N 1 2 278.331 1.265 20 30 CDEDLO Cc1ccc2[nH+]c(CNC(=O)C3(C#N)CCC3)cn2c1 ZINC000265443090 391156114 /nfs/dbraw/zinc/15/61/14/391156114.db2.gz KZRDJNFKVNWPBC-UHFFFAOYSA-N 1 2 268.320 1.953 20 30 CDEDLO COc1cc(NC(=O)C[N@H+](C)CCCC#N)cc(OC)c1 ZINC000177456985 391170620 /nfs/dbraw/zinc/17/06/20/391170620.db2.gz CEXZWELWHCOQOH-UHFFFAOYSA-N 1 2 291.351 1.878 20 30 CDEDLO COc1cc(NC(=O)C[N@@H+](C)CCCC#N)cc(OC)c1 ZINC000177456985 391170625 /nfs/dbraw/zinc/17/06/25/391170625.db2.gz CEXZWELWHCOQOH-UHFFFAOYSA-N 1 2 291.351 1.878 20 30 CDEDLO C[N@H+](CCC#N)CCn1cnc2ccccc2c1=O ZINC000177185909 391165295 /nfs/dbraw/zinc/16/52/95/391165295.db2.gz JHZREQYEUXMSRN-UHFFFAOYSA-N 1 2 256.309 1.242 20 30 CDEDLO C[N@@H+](CCC#N)CCn1cnc2ccccc2c1=O ZINC000177185909 391165298 /nfs/dbraw/zinc/16/52/98/391165298.db2.gz JHZREQYEUXMSRN-UHFFFAOYSA-N 1 2 256.309 1.242 20 30 CDEDLO CC[N@H+](CCC#N)C[C@@H](O)COc1ccccc1C ZINC000267043137 391185285 /nfs/dbraw/zinc/18/52/85/391185285.db2.gz DKNVIPNNGBTDNZ-CQSZACIVSA-N 1 2 262.353 1.970 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@@H](O)COc1ccccc1C ZINC000267043137 391185288 /nfs/dbraw/zinc/18/52/88/391185288.db2.gz DKNVIPNNGBTDNZ-CQSZACIVSA-N 1 2 262.353 1.970 20 30 CDEDLO Cc1nnc([C@@H]2CCC[N@H+](C[C@@H](C#N)CCC#N)C2)[nH]1 ZINC000268471694 391217075 /nfs/dbraw/zinc/21/70/75/391217075.db2.gz MNONKIIGJACXBC-CHWSQXEVSA-N 1 2 272.356 1.736 20 30 CDEDLO Cc1nnc([C@@H]2CCC[N@@H+](C[C@@H](C#N)CCC#N)C2)[nH]1 ZINC000268471694 391217076 /nfs/dbraw/zinc/21/70/76/391217076.db2.gz MNONKIIGJACXBC-CHWSQXEVSA-N 1 2 272.356 1.736 20 30 CDEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](C[C@@H](C#N)CCC#N)C2)n1 ZINC000268471694 391217077 /nfs/dbraw/zinc/21/70/77/391217077.db2.gz MNONKIIGJACXBC-CHWSQXEVSA-N 1 2 272.356 1.736 20 30 CDEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](C[C@@H](C#N)CCC#N)C2)n1 ZINC000268471694 391217079 /nfs/dbraw/zinc/21/70/79/391217079.db2.gz MNONKIIGJACXBC-CHWSQXEVSA-N 1 2 272.356 1.736 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000186315906 391226851 /nfs/dbraw/zinc/22/68/51/391226851.db2.gz VHKAEHNYOOAZNF-HNNXBMFYSA-N 1 2 271.364 1.967 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000186315906 391226854 /nfs/dbraw/zinc/22/68/54/391226854.db2.gz VHKAEHNYOOAZNF-HNNXBMFYSA-N 1 2 271.364 1.967 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269679023 391255156 /nfs/dbraw/zinc/25/51/56/391255156.db2.gz XUDKAONLICOLGX-GXFFZTMASA-N 1 2 263.297 1.862 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269679023 391255157 /nfs/dbraw/zinc/25/51/57/391255157.db2.gz XUDKAONLICOLGX-GXFFZTMASA-N 1 2 263.297 1.862 20 30 CDEDLO COCc1noc(CO[NH+]=C(N)c2ccc(F)c(C)c2)n1 ZINC000183172533 391255358 /nfs/dbraw/zinc/25/53/58/391255358.db2.gz AQQHXLBIIPAZAV-UHFFFAOYSA-N 1 2 294.286 1.501 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000375917733 391205844 /nfs/dbraw/zinc/20/58/44/391205844.db2.gz SBUWEWWFJUGOAP-HIFRSBDPSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000375917733 391205848 /nfs/dbraw/zinc/20/58/48/391205848.db2.gz SBUWEWWFJUGOAP-HIFRSBDPSA-N 1 2 280.412 1.910 20 30 CDEDLO C[C@@H](C#N)S(=O)(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000416370991 391279146 /nfs/dbraw/zinc/27/91/46/391279146.db2.gz LPIZNJQRVKMMBN-NSHDSACASA-N 1 2 299.421 1.108 20 30 CDEDLO CN(C)c1ncc(C[N@H+](CCC#N)CC2CC2)cn1 ZINC000271146219 391288763 /nfs/dbraw/zinc/28/87/63/391288763.db2.gz ALEMTAKLRJGSCA-UHFFFAOYSA-N 1 2 259.357 1.668 20 30 CDEDLO CN(C)c1ncc(C[N@@H+](CCC#N)CC2CC2)cn1 ZINC000271146219 391288768 /nfs/dbraw/zinc/28/87/68/391288768.db2.gz ALEMTAKLRJGSCA-UHFFFAOYSA-N 1 2 259.357 1.668 20 30 CDEDLO N#CC1(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CCCC1 ZINC000271353159 391293458 /nfs/dbraw/zinc/29/34/58/391293458.db2.gz WLDPEQMCNKMKOL-UHFFFAOYSA-N 1 2 281.319 1.833 20 30 CDEDLO C=C(CC)CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000455549420 391306363 /nfs/dbraw/zinc/30/63/63/391306363.db2.gz XCOATUBWBDJFHR-KGLIPLIRSA-N 1 2 281.400 1.457 20 30 CDEDLO C=C(CC)CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000455549424 391306369 /nfs/dbraw/zinc/30/63/69/391306369.db2.gz XCOATUBWBDJFHR-UONOGXRCSA-N 1 2 281.400 1.457 20 30 CDEDLO C=CC[N@H+](Cc1ccccc1F)[C@H](C)C(=O)NC(N)=O ZINC000411190249 391405357 /nfs/dbraw/zinc/40/53/57/391405357.db2.gz UTAJLNUTSHYEAZ-SNVBAGLBSA-N 1 2 279.315 1.397 20 30 CDEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H](C)C(=O)NC(N)=O ZINC000411190249 391405359 /nfs/dbraw/zinc/40/53/59/391405359.db2.gz UTAJLNUTSHYEAZ-SNVBAGLBSA-N 1 2 279.315 1.397 20 30 CDEDLO CC[C@]1(C)COCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000346991278 391381877 /nfs/dbraw/zinc/38/18/77/391381877.db2.gz HYOPVJINLXINIZ-CYBMUJFWSA-N 1 2 265.357 1.050 20 30 CDEDLO CC[C@]1(C)COCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000346991278 391381881 /nfs/dbraw/zinc/38/18/81/391381881.db2.gz HYOPVJINLXINIZ-CYBMUJFWSA-N 1 2 265.357 1.050 20 30 CDEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCSCC3)C2=O)cc1 ZINC000103467889 391478576 /nfs/dbraw/zinc/47/85/76/391478576.db2.gz DRBRHJBCUMWKDQ-AWEZNQCLSA-N 1 2 287.388 1.712 20 30 CDEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411609518 391485324 /nfs/dbraw/zinc/48/53/24/391485324.db2.gz XEHRISYSSIPTOC-KBPBESRZSA-N 1 2 294.395 1.849 20 30 CDEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411609518 391485326 /nfs/dbraw/zinc/48/53/26/391485326.db2.gz XEHRISYSSIPTOC-KBPBESRZSA-N 1 2 294.395 1.849 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000349234695 391538579 /nfs/dbraw/zinc/53/85/79/391538579.db2.gz AVZIJLWBPQZGMW-RYUDHWBXSA-N 1 2 263.341 1.914 20 30 CDEDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000265606762 391628946 /nfs/dbraw/zinc/62/89/46/391628946.db2.gz KJEFBYXZOBTSBE-SEDUGSJDSA-N 1 2 262.378 1.900 20 30 CDEDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000265606762 391628951 /nfs/dbraw/zinc/62/89/51/391628951.db2.gz KJEFBYXZOBTSBE-SEDUGSJDSA-N 1 2 262.378 1.900 20 30 CDEDLO N#CC1(F)CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000359339051 391588729 /nfs/dbraw/zinc/58/87/29/391588729.db2.gz BBFLRMWVZTTWRL-UHFFFAOYSA-N 1 2 272.283 1.802 20 30 CDEDLO C=C[C@@H](CO)NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000350007706 391590812 /nfs/dbraw/zinc/59/08/12/391590812.db2.gz MOTJYLBMGPQQSF-JTQLQIEISA-N 1 2 260.297 1.311 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCc3ccc(F)cc3C2)C1=O ZINC000282084219 391671747 /nfs/dbraw/zinc/67/17/47/391671747.db2.gz USALAAFUFKAVKO-OAHLLOKOSA-N 1 2 274.339 1.971 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCc3ccc(F)cc3C2)C1=O ZINC000282084219 391671750 /nfs/dbraw/zinc/67/17/50/391671750.db2.gz USALAAFUFKAVKO-OAHLLOKOSA-N 1 2 274.339 1.971 20 30 CDEDLO C=CCOC[C@H]([NH2+]C[C@@H]1CCSC1)C(=O)OC ZINC000361115958 391683798 /nfs/dbraw/zinc/68/37/98/391683798.db2.gz ZJMGVENAOVKEIY-QWRGUYRKSA-N 1 2 259.371 1.073 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000413273600 391735800 /nfs/dbraw/zinc/73/58/00/391735800.db2.gz SJCGKUUHDZOEQJ-ZOWXZIJZSA-N 1 2 292.383 1.084 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000413273600 391735801 /nfs/dbraw/zinc/73/58/01/391735801.db2.gz SJCGKUUHDZOEQJ-ZOWXZIJZSA-N 1 2 292.383 1.084 20 30 CDEDLO CCC1(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)CCOCC1 ZINC000329781102 391778310 /nfs/dbraw/zinc/77/83/10/391778310.db2.gz SKJNLNHMSSFSCP-ZDUSSCGKSA-N 1 2 299.415 1.027 20 30 CDEDLO CCC1(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC000329781102 391778313 /nfs/dbraw/zinc/77/83/13/391778313.db2.gz SKJNLNHMSSFSCP-ZDUSSCGKSA-N 1 2 299.415 1.027 20 30 CDEDLO C[C@H](CNC(=O)c1cccc(F)c1C#N)Cn1cc[nH+]c1 ZINC000189787942 391798786 /nfs/dbraw/zinc/79/87/86/391798786.db2.gz CIAIXPCWBRTUTD-LLVKDONJSA-N 1 2 286.310 1.960 20 30 CDEDLO CN(C)c1noc(C[NH2+]Cc2ccc(C#N)cc2)n1 ZINC000190010242 391822513 /nfs/dbraw/zinc/82/25/13/391822513.db2.gz WVBZNIUBXLJWMB-UHFFFAOYSA-N 1 2 257.297 1.297 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000352039524 391844184 /nfs/dbraw/zinc/84/41/84/391844184.db2.gz QCUQYMXQODQXOP-HNNXBMFYSA-N 1 2 284.400 1.006 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCOCC23CCCC3)CCC1 ZINC000372610474 391858867 /nfs/dbraw/zinc/85/88/67/391858867.db2.gz MGIULECHTPOFST-UHFFFAOYSA-N 1 2 277.368 1.194 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCOCC23CCCC3)CCC1 ZINC000372610474 391858869 /nfs/dbraw/zinc/85/88/69/391858869.db2.gz MGIULECHTPOFST-UHFFFAOYSA-N 1 2 277.368 1.194 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)N3CCN(CC#N)CC3)cc2n1C ZINC000408313775 391906967 /nfs/dbraw/zinc/90/69/67/391906967.db2.gz MVAOQULWGCQYAE-UHFFFAOYSA-N 1 2 297.362 1.163 20 30 CDEDLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000646032721 391919922 /nfs/dbraw/zinc/91/99/22/391919922.db2.gz ZBBFHADYCVTXDX-BZNIZROVSA-N 1 2 298.346 1.485 20 30 CDEDLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000646032721 391919925 /nfs/dbraw/zinc/91/99/25/391919925.db2.gz ZBBFHADYCVTXDX-BZNIZROVSA-N 1 2 298.346 1.485 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)NCCNc1cccc[nH+]1 ZINC000438210237 391970730 /nfs/dbraw/zinc/97/07/30/391970730.db2.gz DRSFOBGOJLVPAQ-UHFFFAOYSA-N 1 2 270.292 1.697 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000342995063 392073645 /nfs/dbraw/zinc/07/36/45/392073645.db2.gz MTAQJJPAGRDJAB-ZIAGYGMSSA-N 1 2 282.432 1.276 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000342995063 392073653 /nfs/dbraw/zinc/07/36/53/392073653.db2.gz MTAQJJPAGRDJAB-ZIAGYGMSSA-N 1 2 282.432 1.276 20 30 CDEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000334221853 392037010 /nfs/dbraw/zinc/03/70/10/392037010.db2.gz XOISERFGWWKJFZ-RYUDHWBXSA-N 1 2 252.358 1.130 20 30 CDEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000334221853 392037018 /nfs/dbraw/zinc/03/70/18/392037018.db2.gz XOISERFGWWKJFZ-RYUDHWBXSA-N 1 2 252.358 1.130 20 30 CDEDLO C[C@@H](C#N)CN(C)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000343157016 392098211 /nfs/dbraw/zinc/09/82/11/392098211.db2.gz ZMZRMPIMQDMQKN-JTQLQIEISA-N 1 2 273.327 1.582 20 30 CDEDLO CN(CC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1C#N ZINC000263996647 131375100 /nfs/dbraw/zinc/37/51/00/131375100.db2.gz FLCXSMWXJSFTTB-UHFFFAOYSA-N 1 2 290.323 1.235 20 30 CDEDLO C=C[C@H](O)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000646618611 392596913 /nfs/dbraw/zinc/59/69/13/392596913.db2.gz WYOFXNLSEASFOT-NSHDSACASA-N 1 2 281.381 1.614 20 30 CDEDLO Cc1cc(NCc2nnc3n2CCCC3)c(C#N)c[nH+]1 ZINC000517231890 392821183 /nfs/dbraw/zinc/82/11/83/392821183.db2.gz WVGKHOOOUSCIOU-UHFFFAOYSA-N 1 2 268.324 1.224 20 30 CDEDLO N#Cc1ccc(C[NH2+]Cc2nnnn2CC2CC2)cc1F ZINC000421341682 392931049 /nfs/dbraw/zinc/93/10/49/392931049.db2.gz KTXNSFBUGKEFFB-UHFFFAOYSA-N 1 2 286.314 1.384 20 30 CDEDLO CCN1CCN(c2ncccc2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000530480694 393051713 /nfs/dbraw/zinc/05/17/13/393051713.db2.gz IVPMTTYTWSVJBB-ZDUSSCGKSA-N 1 2 282.351 1.560 20 30 CDEDLO C[C@@H](O)C[NH+]1CCN(c2c(Cl)cccc2C#N)CC1 ZINC000275891526 135115227 /nfs/dbraw/zinc/11/52/27/135115227.db2.gz YEQFVPHTUVUYRU-LLVKDONJSA-N 1 2 279.771 1.714 20 30 CDEDLO COc1cc(C#N)ccc1S(=O)(=O)Nc1cc[nH+]cc1 ZINC000185612570 140044102 /nfs/dbraw/zinc/04/41/02/140044102.db2.gz PAHSCPIRYDXGQK-UHFFFAOYSA-N 1 2 289.316 1.763 20 30 CDEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCN(CC)C1=O ZINC000660538336 413210289 /nfs/dbraw/zinc/21/02/89/413210289.db2.gz OSPCLEWTLSCQOP-OAHLLOKOSA-N 1 2 292.379 1.771 20 30 CDEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCN(CC)C1=O ZINC000660538336 413210296 /nfs/dbraw/zinc/21/02/96/413210296.db2.gz OSPCLEWTLSCQOP-OAHLLOKOSA-N 1 2 292.379 1.771 20 30 CDEDLO C[C@@H]([NH2+]Cc1nncn1C)c1ccc(C#N)c(F)c1 ZINC000346170444 153081968 /nfs/dbraw/zinc/08/19/68/153081968.db2.gz HWKFKSHWMGMJSS-SECBINFHSA-N 1 2 259.288 1.677 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)Cc1ccc(C#N)cc1 ZINC000359513074 158271342 /nfs/dbraw/zinc/27/13/42/158271342.db2.gz NTVSGXUKVPFYEO-UHFFFAOYSA-N 1 2 254.293 1.449 20 30 CDEDLO C=CC[C@@H]1CCCN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000660706544 413397646 /nfs/dbraw/zinc/39/76/46/413397646.db2.gz YLPCZIVNDJQFRQ-GFCCVEGCSA-N 1 2 262.357 1.918 20 30 CDEDLO CC(C)c1nnc2n1CC[N@@H+](Cc1cc(C#N)n(C)c1)C2 ZINC000372816449 160151434 /nfs/dbraw/zinc/15/14/34/160151434.db2.gz UGULAHCBVRJDED-UHFFFAOYSA-N 1 2 284.367 1.627 20 30 CDEDLO CC(C)c1nnc2n1CC[N@H+](Cc1cc(C#N)n(C)c1)C2 ZINC000372816449 160151435 /nfs/dbraw/zinc/15/14/35/160151435.db2.gz UGULAHCBVRJDED-UHFFFAOYSA-N 1 2 284.367 1.627 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000374562825 160296512 /nfs/dbraw/zinc/29/65/12/160296512.db2.gz XVOUITYKFZRETK-CYBMUJFWSA-N 1 2 257.293 1.195 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000374562825 160296514 /nfs/dbraw/zinc/29/65/14/160296514.db2.gz XVOUITYKFZRETK-CYBMUJFWSA-N 1 2 257.293 1.195 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2c2cc[nH]n2)C1=O ZINC000285404095 196274509 /nfs/dbraw/zinc/27/45/09/196274509.db2.gz PARZSDKDLWZMEH-KBPBESRZSA-N 1 2 274.368 1.724 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2c2cc[nH]n2)C1=O ZINC000285404095 196274510 /nfs/dbraw/zinc/27/45/10/196274510.db2.gz PARZSDKDLWZMEH-KBPBESRZSA-N 1 2 274.368 1.724 20 30 CDEDLO CC#CCNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000660964123 413696578 /nfs/dbraw/zinc/69/65/78/413696578.db2.gz HTKYYCMYJZUMMN-UHFFFAOYSA-N 1 2 272.352 1.504 20 30 CDEDLO Cn1ncc2c1nc[nH+]c2NCc1cccc(C#N)c1 ZINC000037502187 173238597 /nfs/dbraw/zinc/23/85/97/173238597.db2.gz GQSUQMDJSPTKSJ-UHFFFAOYSA-N 1 2 264.292 1.847 20 30 CDEDLO C=CCCn1cc(CNCc2cn3ccccc3[nH+]2)nn1 ZINC000657293313 414119727 /nfs/dbraw/zinc/11/97/27/414119727.db2.gz WQEICQMWIPLHPM-UHFFFAOYSA-N 1 2 282.351 1.792 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2c(C)noc2C)nn1 ZINC000657328733 414179882 /nfs/dbraw/zinc/17/98/82/414179882.db2.gz DIQSNQFFXOZADD-UHFFFAOYSA-N 1 2 261.329 1.749 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@@H](CC)c1nnc2n1CCCCC2 ZINC000661937047 414431685 /nfs/dbraw/zinc/43/16/85/414431685.db2.gz IVUZLHKJEJXECA-LBPRGKRZSA-N 1 2 291.399 1.347 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](O)C2)c(C#N)c1C ZINC000039538718 174169324 /nfs/dbraw/zinc/16/93/24/174169324.db2.gz MQQQOXRTCDMEJL-LLVKDONJSA-N 1 2 277.324 1.163 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](O)C2)c(C#N)c1C ZINC000039538718 174169326 /nfs/dbraw/zinc/16/93/26/174169326.db2.gz MQQQOXRTCDMEJL-LLVKDONJSA-N 1 2 277.324 1.163 20 30 CDEDLO N#Cc1c(C[N@H+]2CCCC[C@@H]2C(N)=O)cn2ccccc12 ZINC000044894864 175273767 /nfs/dbraw/zinc/27/37/67/175273767.db2.gz AKHJZPSPSOQTTO-OAHLLOKOSA-N 1 2 282.347 1.651 20 30 CDEDLO N#Cc1c(C[N@@H+]2CCCC[C@@H]2C(N)=O)cn2ccccc12 ZINC000044894864 175273769 /nfs/dbraw/zinc/27/37/69/175273769.db2.gz AKHJZPSPSOQTTO-OAHLLOKOSA-N 1 2 282.347 1.651 20 30 CDEDLO CC[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000078657090 177367156 /nfs/dbraw/zinc/36/71/56/177367156.db2.gz GPDSHQXUDOQMSF-CYBMUJFWSA-N 1 2 296.367 1.706 20 30 CDEDLO CC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000078657090 177367157 /nfs/dbraw/zinc/36/71/57/177367157.db2.gz GPDSHQXUDOQMSF-CYBMUJFWSA-N 1 2 296.367 1.706 20 30 CDEDLO C[C@@H](C#N)S(=O)(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000352413807 226912640 /nfs/dbraw/zinc/91/26/40/226912640.db2.gz QYQIHZKAYBOJKV-NSHDSACASA-N 1 2 294.380 1.013 20 30 CDEDLO COc1ccc2nc(C[NH+]3CCC(C#N)CC3)[nH]c2n1 ZINC000355012612 227312690 /nfs/dbraw/zinc/31/26/90/227312690.db2.gz NNEUIFROZPPIJA-UHFFFAOYSA-N 1 2 271.324 1.702 20 30 CDEDLO Cc1nc(C)c(C(=O)N[C@H]2CCn3cc[nH+]c3C2)o1 ZINC000330301955 228120916 /nfs/dbraw/zinc/12/09/16/228120916.db2.gz JEYRUMOXNSNPJF-JTQLQIEISA-N 1 2 260.297 1.808 20 30 CDEDLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(C#N)cn1)C[C@@H](C)O2 ZINC000517754388 260163885 /nfs/dbraw/zinc/16/38/85/260163885.db2.gz BGIUMVKAJZIUSB-IOASZLSFSA-N 1 2 287.363 1.722 20 30 CDEDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(C#N)cn1)C[C@@H](C)O2 ZINC000517754388 260163887 /nfs/dbraw/zinc/16/38/87/260163887.db2.gz BGIUMVKAJZIUSB-IOASZLSFSA-N 1 2 287.363 1.722 20 30 CDEDLO C=CCCC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000363455186 260262281 /nfs/dbraw/zinc/26/22/81/260262281.db2.gz WVHAMKAIEDINCY-CQSZACIVSA-N 1 2 284.425 1.277 20 30 CDEDLO N#CCCN(CCc1ccccn1)CC[NH+]1CCOCC1 ZINC000081531586 260334611 /nfs/dbraw/zinc/33/46/11/260334611.db2.gz YZZOBSAPRHRLMC-UHFFFAOYSA-N 1 2 288.395 1.172 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C ZINC000521063070 260340931 /nfs/dbraw/zinc/34/09/31/260340931.db2.gz IUHYBCCXWNOZAB-AAEUAGOBSA-N 1 2 250.346 1.323 20 30 CDEDLO CCOc1ccc(O)c(/C=[NH+]/CC(C)(C)C(=O)NC)c1 ZINC000157189078 261142273 /nfs/dbraw/zinc/14/22/73/261142273.db2.gz KDIMPQORQILOLQ-RQZCQDPDSA-N 1 2 278.352 1.982 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)[C@]2(CCCO2)[C@H]1C(C)C ZINC000491817405 262089786 /nfs/dbraw/zinc/08/97/86/262089786.db2.gz YOGLSXMODSORLG-GUTXKFCHSA-N 1 2 264.369 1.313 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)[C@]2(CCCO2)[C@H]1C(C)C ZINC000491817405 262089789 /nfs/dbraw/zinc/08/97/89/262089789.db2.gz YOGLSXMODSORLG-GUTXKFCHSA-N 1 2 264.369 1.313 20 30 CDEDLO CCc1ccccc1CO[NH+]=C(N)C(C)(C)NC(C)=O ZINC000187144343 262126132 /nfs/dbraw/zinc/12/61/32/262126132.db2.gz QYSRSKJXIPAQLJ-UHFFFAOYSA-N 1 2 277.368 1.953 20 30 CDEDLO CCc1cccc(CO[NH+]=C(N)CN2CCOCC2)c1 ZINC000189285798 262170308 /nfs/dbraw/zinc/17/03/08/262170308.db2.gz CLOUIVTVTVMOIE-UHFFFAOYSA-N 1 2 277.368 1.370 20 30 CDEDLO C=CCC1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCC1 ZINC000365092640 262278362 /nfs/dbraw/zinc/27/83/62/262278362.db2.gz QPXXLHZJTWKQAL-CQSZACIVSA-N 1 2 278.396 1.666 20 30 CDEDLO CC(C)S(=O)(=O)CCC[N@H+](CCC#N)CC1CC1 ZINC000336724384 262384324 /nfs/dbraw/zinc/38/43/24/262384324.db2.gz JMCSNXKXVJFLRI-UHFFFAOYSA-N 1 2 272.414 1.825 20 30 CDEDLO CC(C)S(=O)(=O)CCC[N@@H+](CCC#N)CC1CC1 ZINC000336724384 262384326 /nfs/dbraw/zinc/38/43/26/262384326.db2.gz JMCSNXKXVJFLRI-UHFFFAOYSA-N 1 2 272.414 1.825 20 30 CDEDLO CO/N=C/C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000283131903 263081587 /nfs/dbraw/zinc/08/15/87/263081587.db2.gz RLCZVAVQVGVTFY-CPWFCVNUSA-N 1 2 285.294 1.316 20 30 CDEDLO COc1cccc(CO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000284057899 263085444 /nfs/dbraw/zinc/08/54/44/263085444.db2.gz JNXHKMAZFSGWRT-GFCCVEGCSA-N 1 2 250.298 1.663 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)O[NH+]=C(N)[C@H]1CCCO1 ZINC000284474634 263087200 /nfs/dbraw/zinc/08/72/00/263087200.db2.gz RLGCBLBDRORWRR-NWDGAFQWSA-N 1 2 281.356 1.043 20 30 CDEDLO CC(C)c1nc(CO[NH+]=C(N)[C@@H]2CCCO2)no1 ZINC000284623681 263087741 /nfs/dbraw/zinc/08/77/41/263087741.db2.gz ZSCGMUMLFWZLIF-QMMMGPOBSA-N 1 2 254.290 1.161 20 30 CDEDLO N#CCCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000290876152 263118984 /nfs/dbraw/zinc/11/89/84/263118984.db2.gz BLQYQABAKHBFSC-UHFFFAOYSA-N 1 2 258.325 1.424 20 30 CDEDLO N#CCCCC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000292531046 263133005 /nfs/dbraw/zinc/13/30/05/263133005.db2.gz HRJNPIOQGMNPNE-UHFFFAOYSA-N 1 2 256.309 1.687 20 30 CDEDLO CCn1cc([C@@H]2C[N@@H+]([C@H]3CC[C@H](C#N)C3)CCO2)cn1 ZINC000294660147 263165835 /nfs/dbraw/zinc/16/58/35/263165835.db2.gz RDZTXISIOFLUFP-QEJZJMRPSA-N 1 2 274.368 1.969 20 30 CDEDLO CCn1cc([C@@H]2C[N@H+]([C@H]3CC[C@H](C#N)C3)CCO2)cn1 ZINC000294660147 263165837 /nfs/dbraw/zinc/16/58/37/263165837.db2.gz RDZTXISIOFLUFP-QEJZJMRPSA-N 1 2 274.368 1.969 20 30 CDEDLO CCC[C@H](C(=O)OCC)[NH+]1CCC(C#N)(COC)CC1 ZINC000341986808 263381173 /nfs/dbraw/zinc/38/11/73/263381173.db2.gz FSIQRSPIBJGOJD-CYBMUJFWSA-N 1 2 282.384 1.970 20 30 CDEDLO C=C1CC[NH+](CC(=O)N(CC)CC(=O)NC(C)C)CC1 ZINC000342180881 263394577 /nfs/dbraw/zinc/39/45/77/263394577.db2.gz PADMGNCAPOVWLP-UHFFFAOYSA-N 1 2 281.400 1.012 20 30 CDEDLO CCOCC[NH+]1CCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000330723435 264024909 /nfs/dbraw/zinc/02/49/09/264024909.db2.gz YUXCCFQWDQHWFA-UHFFFAOYSA-N 1 2 279.384 1.251 20 30 CDEDLO CC#CCCCC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330965543 264090586 /nfs/dbraw/zinc/09/05/86/264090586.db2.gz CGLGTULTKAHYPN-UHFFFAOYSA-N 1 2 274.368 1.248 20 30 CDEDLO C=C[C@H](C)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000330929907 264096019 /nfs/dbraw/zinc/09/60/19/264096019.db2.gz ODPKTEVBLHDZBP-NSHDSACASA-N 1 2 255.362 1.175 20 30 CDEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(C)nn1C ZINC000331130285 264148082 /nfs/dbraw/zinc/14/80/82/264148082.db2.gz IZAFXDLTFULGQV-GFCCVEGCSA-N 1 2 262.357 1.708 20 30 CDEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C)nn1C ZINC000331130285 264148084 /nfs/dbraw/zinc/14/80/84/264148084.db2.gz IZAFXDLTFULGQV-GFCCVEGCSA-N 1 2 262.357 1.708 20 30 CDEDLO CCn1cc(C(=O)NC(C)(C)C[NH+]2CCOCC2)cn1 ZINC000331354239 264207568 /nfs/dbraw/zinc/20/75/68/264207568.db2.gz PMGSRVCJRXPOON-UHFFFAOYSA-N 1 2 280.372 1.318 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000652997566 424091335 /nfs/dbraw/zinc/09/13/35/424091335.db2.gz DPJDRSNLJUDFFA-UHFFFAOYSA-N 1 2 298.427 1.396 20 30 CDEDLO C=CCCn1cc(C[N@@H+](C)[C@@H]2CCCOC2)nn1 ZINC000653671734 424410336 /nfs/dbraw/zinc/41/03/36/424410336.db2.gz UBSKKFBXRIYWIX-CYBMUJFWSA-N 1 2 250.346 1.465 20 30 CDEDLO C=CCCn1cc(C[N@H+](C)[C@@H]2CCCOC2)nn1 ZINC000653671734 424410342 /nfs/dbraw/zinc/41/03/42/424410342.db2.gz UBSKKFBXRIYWIX-CYBMUJFWSA-N 1 2 250.346 1.465 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1C ZINC000356810618 266178374 /nfs/dbraw/zinc/17/83/74/266178374.db2.gz GEFYZFACFHLQEZ-UONOGXRCSA-N 1 2 280.412 1.910 20 30 CDEDLO CC#CCCNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000361646731 266865210 /nfs/dbraw/zinc/86/52/10/266865210.db2.gz WGXIJODXAVJGGH-CQSZACIVSA-N 1 2 288.395 1.798 20 30 CDEDLO C#CCCCS(=O)(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000367776119 267117144 /nfs/dbraw/zinc/11/71/44/267117144.db2.gz HDAHUVOPAGLOSV-CYBMUJFWSA-N 1 2 295.408 1.343 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(C)(C)C#N)C1 ZINC000369365363 267237922 /nfs/dbraw/zinc/23/79/22/267237922.db2.gz ASPDPLNEEGXCRX-NSHDSACASA-N 1 2 260.341 1.676 20 30 CDEDLO CC1(O)CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329631963 276170726 /nfs/dbraw/zinc/17/07/26/276170726.db2.gz RPZUTOHQQKJCQX-JTQLQIEISA-N 1 2 278.356 1.028 20 30 CDEDLO CC1(O)CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329631963 276170727 /nfs/dbraw/zinc/17/07/27/276170727.db2.gz RPZUTOHQQKJCQX-JTQLQIEISA-N 1 2 278.356 1.028 20 30 CDEDLO CC[N@@H+]1CCN(C(=O)c2ccc(C#N)s2)[C@@H](C)C1 ZINC000334460242 276192684 /nfs/dbraw/zinc/19/26/84/276192684.db2.gz UMIUCEMDRJFBGC-JTQLQIEISA-N 1 2 263.366 1.786 20 30 CDEDLO CC[N@H+]1CCN(C(=O)c2ccc(C#N)s2)[C@@H](C)C1 ZINC000334460242 276192686 /nfs/dbraw/zinc/19/26/86/276192686.db2.gz UMIUCEMDRJFBGC-JTQLQIEISA-N 1 2 263.366 1.786 20 30 CDEDLO O=C1NC(=O)N2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]12 ZINC000329468096 280277260 /nfs/dbraw/zinc/27/72/60/280277260.db2.gz XCYBARCOGMUAGZ-ZDUSSCGKSA-N 1 2 287.294 1.254 20 30 CDEDLO O=C1NC(=O)N2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]12 ZINC000329468096 280277261 /nfs/dbraw/zinc/27/72/61/280277261.db2.gz XCYBARCOGMUAGZ-ZDUSSCGKSA-N 1 2 287.294 1.254 20 30 CDEDLO CC[C@](C)([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])C(N)=O ZINC000459392249 281289136 /nfs/dbraw/zinc/28/91/36/281289136.db2.gz QDMXWXBDMXSYGM-ZDUSSCGKSA-N 1 2 276.296 1.210 20 30 CDEDLO CC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000158514703 289311085 /nfs/dbraw/zinc/31/10/85/289311085.db2.gz BTLMAXFVMRPZOX-HNNXBMFYSA-N 1 2 275.327 1.798 20 30 CDEDLO CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000158514703 289311086 /nfs/dbraw/zinc/31/10/86/289311086.db2.gz BTLMAXFVMRPZOX-HNNXBMFYSA-N 1 2 275.327 1.798 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2CO)c(C#N)c1C ZINC000050116597 294036530 /nfs/dbraw/zinc/03/65/30/294036530.db2.gz LCHFNEORQDGDOH-LLVKDONJSA-N 1 2 277.324 1.163 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2CO)c(C#N)c1C ZINC000050116597 294036531 /nfs/dbraw/zinc/03/65/31/294036531.db2.gz LCHFNEORQDGDOH-LLVKDONJSA-N 1 2 277.324 1.163 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCO[C@@H]2CCC[C@@H]21 ZINC000330281813 295385220 /nfs/dbraw/zinc/38/52/20/295385220.db2.gz UYIZQVIDMKPUPZ-FRRDWIJNSA-N 1 2 290.367 1.365 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCOC(C)(C)C1 ZINC000030195734 298135772 /nfs/dbraw/zinc/13/57/72/298135772.db2.gz URYOQJLWYFOCAO-CYBMUJFWSA-N 1 2 293.411 1.828 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCOC(C)(C)C1 ZINC000030195734 298135775 /nfs/dbraw/zinc/13/57/75/298135775.db2.gz URYOQJLWYFOCAO-CYBMUJFWSA-N 1 2 293.411 1.828 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000334785058 300889993 /nfs/dbraw/zinc/88/99/93/300889993.db2.gz AOYSYYKHEFGPRZ-GFCCVEGCSA-N 1 2 269.308 1.895 20 30 CDEDLO C[C@H]1C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC2(CCC2)O1 ZINC000577060514 317257383 /nfs/dbraw/zinc/25/73/83/317257383.db2.gz MSDXCTFUABMAFI-SWLSCSKDSA-N 1 2 299.374 1.728 20 30 CDEDLO C[C@H]1C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC2(CCC2)O1 ZINC000577060514 317257386 /nfs/dbraw/zinc/25/73/86/317257386.db2.gz MSDXCTFUABMAFI-SWLSCSKDSA-N 1 2 299.374 1.728 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CSCc1cccnc1 ZINC000571451055 328122830 /nfs/dbraw/zinc/12/28/30/328122830.db2.gz YHYPADXORTVHGQ-CQSZACIVSA-N 1 2 292.408 1.275 20 30 CDEDLO Cc1ccc2[nH+]c(CNC(=O)N3CCO[C@@H](C#N)C3)cn2c1 ZINC000264409669 328159522 /nfs/dbraw/zinc/15/95/22/328159522.db2.gz QQLMAFMBIYKKRU-ZDUSSCGKSA-N 1 2 299.334 1.077 20 30 CDEDLO CC[N@H+](CCC#N)C[C@H](O)COc1ccccc1F ZINC000267173173 328173906 /nfs/dbraw/zinc/17/39/06/328173906.db2.gz IMZBHDILMZFVRH-LBPRGKRZSA-N 1 2 266.316 1.801 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1ccccc1F ZINC000267173173 328173908 /nfs/dbraw/zinc/17/39/08/328173908.db2.gz IMZBHDILMZFVRH-LBPRGKRZSA-N 1 2 266.316 1.801 20 30 CDEDLO CC[N@H+](CCC#N)C[C@@H](O)COc1ccccc1F ZINC000267173170 328173938 /nfs/dbraw/zinc/17/39/38/328173938.db2.gz IMZBHDILMZFVRH-GFCCVEGCSA-N 1 2 266.316 1.801 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@@H](O)COc1ccccc1F ZINC000267173170 328173940 /nfs/dbraw/zinc/17/39/40/328173940.db2.gz IMZBHDILMZFVRH-GFCCVEGCSA-N 1 2 266.316 1.801 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)COc1ccc(F)cc1 ZINC000268271722 328183617 /nfs/dbraw/zinc/18/36/17/328183617.db2.gz CJOMKTIEPUCAEU-DGCLKSJQSA-N 1 2 266.316 1.799 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)COc1ccc(F)cc1 ZINC000268271722 328183618 /nfs/dbraw/zinc/18/36/18/328183618.db2.gz CJOMKTIEPUCAEU-DGCLKSJQSA-N 1 2 266.316 1.799 20 30 CDEDLO COC(=O)c1cccc(OCC(N)=[NH+]OC[C@@H](C)OC)c1 ZINC000272907641 328201319 /nfs/dbraw/zinc/20/13/19/328201319.db2.gz NHOFDAHZBSNCQU-SNVBAGLBSA-N 1 2 296.323 1.176 20 30 CDEDLO Cc1nsc(N2CC[NH+]([C@@H](C)CCC#N)CC2)n1 ZINC000276354081 328217867 /nfs/dbraw/zinc/21/78/67/328217867.db2.gz XAHVXNSLFDBNMM-JTQLQIEISA-N 1 2 265.386 1.661 20 30 CDEDLO CC(C)(C#N)CC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000278189753 328224387 /nfs/dbraw/zinc/22/43/87/328224387.db2.gz DSVPABQQYFMNMF-UHFFFAOYSA-N 1 2 270.336 1.933 20 30 CDEDLO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(C#N)cs1 ZINC000584191922 327062683 /nfs/dbraw/zinc/06/26/83/327062683.db2.gz HQIAECCJYCUJGD-LLVKDONJSA-N 1 2 263.366 1.786 20 30 CDEDLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(C#N)cs1 ZINC000584191922 327062685 /nfs/dbraw/zinc/06/26/85/327062685.db2.gz HQIAECCJYCUJGD-LLVKDONJSA-N 1 2 263.366 1.786 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000573485842 327184310 /nfs/dbraw/zinc/18/43/10/327184310.db2.gz RKLJDHBKEMIYRR-ZBFHGGJFSA-N 1 2 293.411 1.542 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000573485842 327184312 /nfs/dbraw/zinc/18/43/12/327184312.db2.gz RKLJDHBKEMIYRR-ZBFHGGJFSA-N 1 2 293.411 1.542 20 30 CDEDLO C=CC[N@H+](CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 ZINC000172164206 329081849 /nfs/dbraw/zinc/08/18/49/329081849.db2.gz UTMCXMLHPJLKDD-AWEZNQCLSA-N 1 2 280.393 1.299 20 30 CDEDLO C=CC[N@@H+](CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 ZINC000172164206 329081850 /nfs/dbraw/zinc/08/18/50/329081850.db2.gz UTMCXMLHPJLKDD-AWEZNQCLSA-N 1 2 280.393 1.299 20 30 CDEDLO CCC(CC)[C@@H](C(=O)N[C@@H](C)C#N)[NH+]1CCOCC1 ZINC000173281365 329144447 /nfs/dbraw/zinc/14/44/47/329144447.db2.gz AOBKTGQGCOCQKY-AAEUAGOBSA-N 1 2 267.373 1.152 20 30 CDEDLO C=CC[N@@H+](Cc1cccc(C)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179819296 329212449 /nfs/dbraw/zinc/21/24/49/329212449.db2.gz UAKCKUSJRVVPHG-CQSZACIVSA-N 1 2 295.404 1.876 20 30 CDEDLO C=CC[N@H+](Cc1cccc(C)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179819296 329212451 /nfs/dbraw/zinc/21/24/51/329212451.db2.gz UAKCKUSJRVVPHG-CQSZACIVSA-N 1 2 295.404 1.876 20 30 CDEDLO C=C(C)CN(C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000181614871 329235009 /nfs/dbraw/zinc/23/50/09/329235009.db2.gz PRBHLUGPKWBHIZ-ZDUSSCGKSA-N 1 2 274.368 1.878 20 30 CDEDLO CC#CCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000135025824 329663051 /nfs/dbraw/zinc/66/30/51/329663051.db2.gz QXURMZRBWZISGK-UHFFFAOYSA-N 1 2 260.341 1.084 20 30 CDEDLO C[C@@H]1CC(F)(F)CC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000528763995 330257715 /nfs/dbraw/zinc/25/77/15/330257715.db2.gz CIUMACRANJEWCF-ZWNOBZJWSA-N 1 2 285.338 1.914 20 30 CDEDLO C[C@@H]1CC(F)(F)CC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000528763995 330257716 /nfs/dbraw/zinc/25/77/16/330257716.db2.gz CIUMACRANJEWCF-ZWNOBZJWSA-N 1 2 285.338 1.914 20 30 CDEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cc(C(=O)OC)co2)nn1 ZINC000424291210 330334890 /nfs/dbraw/zinc/33/48/90/330334890.db2.gz DHFBCUIIPFUHKZ-JTQLQIEISA-N 1 2 290.323 1.695 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000121261632 330398677 /nfs/dbraw/zinc/39/86/77/330398677.db2.gz PFSREIJLCMNLJT-UHFFFAOYSA-N 1 2 275.308 1.602 20 30 CDEDLO C=CC[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000121261632 330398678 /nfs/dbraw/zinc/39/86/78/330398678.db2.gz PFSREIJLCMNLJT-UHFFFAOYSA-N 1 2 275.308 1.602 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000432073966 330592058 /nfs/dbraw/zinc/59/20/58/330592058.db2.gz AFDZCMMFVSXDTR-UHFFFAOYSA-N 1 2 297.443 1.999 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000456784655 331203832 /nfs/dbraw/zinc/20/38/32/331203832.db2.gz XPNGITIVJNTOIN-HZPDHXFCSA-N 1 2 288.391 1.704 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000456784655 331203833 /nfs/dbraw/zinc/20/38/33/331203833.db2.gz XPNGITIVJNTOIN-HZPDHXFCSA-N 1 2 288.391 1.704 20 30 CDEDLO C=CCOc1ccc(C(=O)NCCc2cn(C)c[nH+]2)cc1 ZINC000457891261 331237039 /nfs/dbraw/zinc/23/70/39/331237039.db2.gz WLZJNJLDVRZGHN-UHFFFAOYSA-N 1 2 285.347 1.957 20 30 CDEDLO C=C(C)CCNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000459010598 331266372 /nfs/dbraw/zinc/26/63/72/331266372.db2.gz WTIFKMDSSRCTGM-UHFFFAOYSA-N 1 2 291.399 1.214 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(C3CC3)nc2)C1=O ZINC000459529892 331286228 /nfs/dbraw/zinc/28/62/28/331286228.db2.gz LAPORDKSYOYKSB-AWEZNQCLSA-N 1 2 286.379 1.573 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(C3CC3)nc2)C1=O ZINC000459529892 331286229 /nfs/dbraw/zinc/28/62/29/331286229.db2.gz LAPORDKSYOYKSB-AWEZNQCLSA-N 1 2 286.379 1.573 20 30 CDEDLO C=CCn1cccc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000488917661 332033575 /nfs/dbraw/zinc/03/35/75/332033575.db2.gz ZHRUROSUTRYDHE-GFCCVEGCSA-N 1 2 270.336 1.615 20 30 CDEDLO C#CC[N@@H+](Cc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000490853116 332120930 /nfs/dbraw/zinc/12/09/30/332120930.db2.gz QHGRKEQNJPYFGT-HNNXBMFYSA-N 1 2 291.416 1.926 20 30 CDEDLO C#CC[N@H+](Cc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000490853116 332120931 /nfs/dbraw/zinc/12/09/31/332120931.db2.gz QHGRKEQNJPYFGT-HNNXBMFYSA-N 1 2 291.416 1.926 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000490865392 332121662 /nfs/dbraw/zinc/12/16/62/332121662.db2.gz BSNWIVPHMOWQIC-UHFFFAOYSA-N 1 2 299.374 1.705 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000490865392 332121663 /nfs/dbraw/zinc/12/16/63/332121663.db2.gz BSNWIVPHMOWQIC-UHFFFAOYSA-N 1 2 299.374 1.705 20 30 CDEDLO C#CC[NH+]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000490938609 332131535 /nfs/dbraw/zinc/13/15/35/332131535.db2.gz YEZHCSNOEYAFQT-UHFFFAOYSA-N 1 2 274.324 1.362 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1cnnn1CC)c1ccc(F)cc1 ZINC000491384316 332201856 /nfs/dbraw/zinc/20/18/56/332201856.db2.gz OLCWJDMOHJQUAR-CQSZACIVSA-N 1 2 258.300 1.901 20 30 CDEDLO C#CC[N@@H+](CC(=O)N[C@H]1CCOc2ccccc21)C1CC1 ZINC000491440068 332211822 /nfs/dbraw/zinc/21/18/22/332211822.db2.gz NHRVEQLNZQBHHD-HNNXBMFYSA-N 1 2 284.359 1.724 20 30 CDEDLO C#CC[N@H+](CC(=O)N[C@H]1CCOc2ccccc21)C1CC1 ZINC000491440068 332211823 /nfs/dbraw/zinc/21/18/23/332211823.db2.gz NHRVEQLNZQBHHD-HNNXBMFYSA-N 1 2 284.359 1.724 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)CC2(CCC(C)CC2)C1=O ZINC000491439811 332211844 /nfs/dbraw/zinc/21/18/44/332211844.db2.gz LYLJYCYNVPJBBM-UYJPIKCFSA-N 1 2 276.380 1.853 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)CC2(CCC(C)CC2)C1=O ZINC000491439811 332211845 /nfs/dbraw/zinc/21/18/45/332211845.db2.gz LYLJYCYNVPJBBM-UYJPIKCFSA-N 1 2 276.380 1.853 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000491568404 332239969 /nfs/dbraw/zinc/23/99/69/332239969.db2.gz QJBSPKSPUVJHKU-NSHDSACASA-N 1 2 280.318 1.577 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000491568404 332239970 /nfs/dbraw/zinc/23/99/70/332239970.db2.gz QJBSPKSPUVJHKU-NSHDSACASA-N 1 2 280.318 1.577 20 30 CDEDLO C#C[C@H]1COCCN1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000491671900 332278742 /nfs/dbraw/zinc/27/87/42/332278742.db2.gz GAGAUSOGXACNDH-AWEZNQCLSA-N 1 2 273.336 1.242 20 30 CDEDLO C#CCN(CC#CC)C(=O)NCc1[nH+]ccn1CC ZINC000491672167 332278953 /nfs/dbraw/zinc/27/89/53/332278953.db2.gz SVUJDDDHUCVDIZ-UHFFFAOYSA-N 1 2 258.325 1.071 20 30 CDEDLO C#CCN(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000491698839 332293565 /nfs/dbraw/zinc/29/35/65/332293565.db2.gz CVAIHEHOIQSODR-LLVKDONJSA-N 1 2 258.325 1.005 20 30 CDEDLO C#C[C@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC000491733634 332314621 /nfs/dbraw/zinc/31/46/21/332314621.db2.gz RGBCZCXICVQSDG-CABCVRRESA-N 1 2 292.423 1.794 20 30 CDEDLO C#C[C@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C(C)(C)C ZINC000491733634 332314622 /nfs/dbraw/zinc/31/46/22/332314622.db2.gz RGBCZCXICVQSDG-CABCVRRESA-N 1 2 292.423 1.794 20 30 CDEDLO C#C[C@@H](CC)NC(=O)NCCCNc1cccc[nH+]1 ZINC000491769329 332336609 /nfs/dbraw/zinc/33/66/09/332336609.db2.gz MUDQYWHVJMZNEW-LBPRGKRZSA-N 1 2 260.341 1.595 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cn1nc(C(=O)OC)c(Cl)c1C ZINC000491783749 332347020 /nfs/dbraw/zinc/34/70/20/332347020.db2.gz KCILHSPNWRPMFS-MRVPVSSYSA-N 1 2 269.732 1.543 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cn1nc(C(=O)OC)c(Cl)c1C ZINC000491783749 332347021 /nfs/dbraw/zinc/34/70/21/332347021.db2.gz KCILHSPNWRPMFS-MRVPVSSYSA-N 1 2 269.732 1.543 20 30 CDEDLO CCn1cc[nH+]c1/C=C\C(=O)NC1(C#N)CCOCC1 ZINC000492268401 332389947 /nfs/dbraw/zinc/38/99/47/332389947.db2.gz AHNQHENGPZAMKV-ARJAWSKDSA-N 1 2 274.324 1.105 20 30 CDEDLO O=C(NCC#Cc1ccccc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547628772 334103896 /nfs/dbraw/zinc/10/38/96/334103896.db2.gz YISZATKGHFAZMX-HNNXBMFYSA-N 1 2 294.358 1.549 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)C[C@H](C2CC2)O1 ZINC000548753200 334169679 /nfs/dbraw/zinc/16/96/79/334169679.db2.gz UYCVWWDFEPWTFY-WCQYABFASA-N 1 2 277.368 1.048 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)C[C@H](C2CC2)O1 ZINC000548753200 334169680 /nfs/dbraw/zinc/16/96/80/334169680.db2.gz UYCVWWDFEPWTFY-WCQYABFASA-N 1 2 277.368 1.048 20 30 CDEDLO COC[C@@](C)(C#N)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000137163200 334170874 /nfs/dbraw/zinc/17/08/74/334170874.db2.gz AWYLIFKVOBWEQW-OAHLLOKOSA-N 1 2 284.319 1.531 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081061806 334177915 /nfs/dbraw/zinc/17/79/15/334177915.db2.gz KYZPUDJKFLLMSM-UHFFFAOYSA-N 1 2 280.372 1.238 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081061806 334177917 /nfs/dbraw/zinc/17/79/17/334177917.db2.gz KYZPUDJKFLLMSM-UHFFFAOYSA-N 1 2 280.372 1.238 20 30 CDEDLO COC(=O)[C@H]([NH2+]CCOCCC#N)C1CCCCC1 ZINC000549545588 334197230 /nfs/dbraw/zinc/19/72/30/334197230.db2.gz QEOKCIJABGYPLT-CYBMUJFWSA-N 1 2 268.357 1.628 20 30 CDEDLO C[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H](CO)O1 ZINC000249485627 334334552 /nfs/dbraw/zinc/33/45/52/334334552.db2.gz UHXOWUBPHVYMDI-WFASDCNBSA-N 1 2 279.767 1.773 20 30 CDEDLO C[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H](CO)O1 ZINC000249485627 334334553 /nfs/dbraw/zinc/33/45/53/334334553.db2.gz UHXOWUBPHVYMDI-WFASDCNBSA-N 1 2 279.767 1.773 20 30 CDEDLO Cc1cccn2cc(CC(=O)N[C@](C)(C#N)CN(C)C)[nH+]c12 ZINC000576350854 335193049 /nfs/dbraw/zinc/19/30/49/335193049.db2.gz UQEIFVVFFLFZMJ-MRXNPFEDSA-N 1 2 299.378 1.145 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cc(F)c(F)c(F)c1 ZINC000577056726 335292168 /nfs/dbraw/zinc/29/21/68/335292168.db2.gz QZHLEIGHRSVQFQ-JTQLQIEISA-N 1 2 287.285 1.722 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cc(F)c(F)c(F)c1 ZINC000577056726 335292169 /nfs/dbraw/zinc/29/21/69/335292169.db2.gz QZHLEIGHRSVQFQ-JTQLQIEISA-N 1 2 287.285 1.722 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccc3c(n2)CCC3)nn1 ZINC000577217264 335324480 /nfs/dbraw/zinc/32/44/80/335324480.db2.gz XTKIPCBLTLMJIV-UHFFFAOYSA-N 1 2 269.352 1.638 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)N[C@H](C#N)C1CCCCC1 ZINC000185796971 335957254 /nfs/dbraw/zinc/95/72/54/335957254.db2.gz WRJKDZFULLOGPN-CYBMUJFWSA-N 1 2 260.341 1.551 20 30 CDEDLO COCC#CC[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000671697264 482513297 /nfs/dbraw/zinc/51/32/97/482513297.db2.gz VQZSLVSWIGQFQT-UHFFFAOYSA-N 1 2 277.349 1.880 20 30 CDEDLO COCC#CC[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000671697264 482513302 /nfs/dbraw/zinc/51/33/02/482513302.db2.gz VQZSLVSWIGQFQT-UHFFFAOYSA-N 1 2 277.349 1.880 20 30 CDEDLO C=CCCC(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000670399066 482887500 /nfs/dbraw/zinc/88/75/00/482887500.db2.gz AOUXVBSPZPEIGG-UHFFFAOYSA-N 1 2 278.356 1.638 20 30 CDEDLO C=C[C@@](C)(O)C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000667136251 483105974 /nfs/dbraw/zinc/10/59/74/483105974.db2.gz ZVOUBAMLWGDTKH-CQSZACIVSA-N 1 2 259.309 1.196 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000682361048 483199815 /nfs/dbraw/zinc/19/98/15/483199815.db2.gz HFMSATFNPCSRAJ-DZGCQCFKSA-N 1 2 266.385 1.522 20 30 CDEDLO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CCO1 ZINC000329122562 533763131 /nfs/dbraw/zinc/76/31/31/533763131.db2.gz WTEOQTMSKMUJIC-JHJVBQTASA-N 1 2 292.383 1.691 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cncnc1 ZINC001717470094 1180689600 /nfs/dbraw/zinc/68/96/00/1180689600.db2.gz COSZDNUWTALIFI-SNVBAGLBSA-N 1 2 268.748 1.279 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cncnc1 ZINC001717470094 1180689605 /nfs/dbraw/zinc/68/96/05/1180689605.db2.gz COSZDNUWTALIFI-SNVBAGLBSA-N 1 2 268.748 1.279 20 30 CDEDLO Cc1nc(NC2(CNC(=O)[C@H](C)C#N)CC2)cc[nH+]1 ZINC001110087983 1162077761 /nfs/dbraw/zinc/07/77/61/1162077761.db2.gz NIAYEBRYACZNQW-SECBINFHSA-N 1 2 259.313 1.005 20 30 CDEDLO C#CCCCCC(=O)N[C@H](C)C[NH2+]Cc1nnc(C)o1 ZINC001754224097 1185515660 /nfs/dbraw/zinc/51/56/60/1185515660.db2.gz YMNRZZYDUYWAIV-LLVKDONJSA-N 1 2 278.356 1.166 20 30 CDEDLO COCC[C@@H]1COCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000365836201 521891756 /nfs/dbraw/zinc/89/17/56/521891756.db2.gz HTHSACCXIANKMX-CQSZACIVSA-N 1 2 278.327 1.935 20 30 CDEDLO COCC[C@@H]1COCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000365836201 521891763 /nfs/dbraw/zinc/89/17/63/521891763.db2.gz HTHSACCXIANKMX-CQSZACIVSA-N 1 2 278.327 1.935 20 30 CDEDLO CNC(=O)[C@@H]1CCC[C@@H]1[NH+]=C([O-])N1CCn2c[nH+]cc2C1 ZINC000329547597 538581993 /nfs/dbraw/zinc/58/19/93/538581993.db2.gz HMRKKBXDXLYNGI-NEPJUHHUSA-N 1 2 291.355 1.368 20 30 CDEDLO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000329547597 538582001 /nfs/dbraw/zinc/58/20/01/538582001.db2.gz HMRKKBXDXLYNGI-NEPJUHHUSA-N 1 2 291.355 1.368 20 30 CDEDLO Cc1cccn2cc(CC(=O)Nc3cnn(CC#N)c3)[nH+]c12 ZINC000726771567 574505358 /nfs/dbraw/zinc/50/53/58/574505358.db2.gz ZYMBBIPWLNSLTN-UHFFFAOYSA-N 1 2 294.318 1.544 20 30 CDEDLO Oc1ccccc1/C=[NH+]\Cc1nnnn1-c1ccccc1 ZINC000730434249 574981268 /nfs/dbraw/zinc/98/12/68/574981268.db2.gz IFHLVXBESCUOIK-YBEGLDIGSA-N 1 2 279.303 1.987 20 30 CDEDLO C=C1CC[NH+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000731032968 575031085 /nfs/dbraw/zinc/03/10/85/575031085.db2.gz QWMAKJSJAJCXDT-UHFFFAOYSA-N 1 2 286.335 1.859 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ncoc2C(C)C)CC1 ZINC000732066952 575077724 /nfs/dbraw/zinc/07/77/24/575077724.db2.gz LIXUQBCRWRFKQI-UHFFFAOYSA-N 1 2 275.352 1.579 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)[C@@H](CC)c2c(C)noc2C)CC1 ZINC000733160783 575102941 /nfs/dbraw/zinc/10/29/41/575102941.db2.gz ABBVGVOGBXDYDT-AWEZNQCLSA-N 1 2 289.379 1.562 20 30 CDEDLO C[C@@H]([NH2+]CC(=O)NCCC#N)c1c(F)cccc1F ZINC000774869133 575247576 /nfs/dbraw/zinc/24/75/76/575247576.db2.gz QRYPTVFJKYPPKL-SECBINFHSA-N 1 2 267.279 1.645 20 30 CDEDLO C=CC[N@@H+](C)CN1C(=O)N[C@@](C)(C(C)(C)C)C1=O ZINC000773324333 575801758 /nfs/dbraw/zinc/80/17/58/575801758.db2.gz GNMOREVRCHFXOF-CYBMUJFWSA-N 1 2 253.346 1.418 20 30 CDEDLO C=CC[N@H+](C)CN1C(=O)N[C@@](C)(C(C)(C)C)C1=O ZINC000773324333 575801761 /nfs/dbraw/zinc/80/17/61/575801761.db2.gz GNMOREVRCHFXOF-CYBMUJFWSA-N 1 2 253.346 1.418 20 30 CDEDLO CC(=[NH+]NCCOCC(F)(F)F)c1csc(N)n1 ZINC000765593869 576042282 /nfs/dbraw/zinc/04/22/82/576042282.db2.gz NNPLCUOJUTVWOC-UHFFFAOYSA-N 1 2 282.291 1.618 20 30 CDEDLO CN(CCC#N)c1ccc(C[NH2+]Cc2ncn(C)n2)cc1 ZINC000768650500 576302073 /nfs/dbraw/zinc/30/20/73/576302073.db2.gz AWPHKAKEGVTEBZ-UHFFFAOYSA-N 1 2 284.367 1.455 20 30 CDEDLO C=CCOc1ccc(C[N@@H+]2CCCNC(=O)C2)cc1OC ZINC000769115159 576331505 /nfs/dbraw/zinc/33/15/05/576331505.db2.gz OZPGMOOQDQHMAB-UHFFFAOYSA-N 1 2 290.363 1.582 20 30 CDEDLO C=CCOc1ccc(C[N@H+]2CCCNC(=O)C2)cc1OC ZINC000769115159 576331506 /nfs/dbraw/zinc/33/15/06/576331506.db2.gz OZPGMOOQDQHMAB-UHFFFAOYSA-N 1 2 290.363 1.582 20 30 CDEDLO COC(C[N@H+](CCCO)Cc1cccc(C#N)c1F)OC ZINC000759868955 576438760 /nfs/dbraw/zinc/43/87/60/576438760.db2.gz IORCTTACFHIIMK-UHFFFAOYSA-N 1 2 296.342 1.501 20 30 CDEDLO COC(C[N@@H+](CCCO)Cc1cccc(C#N)c1F)OC ZINC000759868955 576438761 /nfs/dbraw/zinc/43/87/61/576438761.db2.gz IORCTTACFHIIMK-UHFFFAOYSA-N 1 2 296.342 1.501 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000742769113 576616255 /nfs/dbraw/zinc/61/62/55/576616255.db2.gz YYCARHJZOVPBTQ-UPJWGTAASA-N 1 2 266.410 1.436 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000742769113 576616256 /nfs/dbraw/zinc/61/62/56/576616256.db2.gz YYCARHJZOVPBTQ-UPJWGTAASA-N 1 2 266.410 1.436 20 30 CDEDLO C#CC[N@@H+](CC#CC)C[C@H]1COc2ccccc2O1 ZINC000743854696 576658561 /nfs/dbraw/zinc/65/85/61/576658561.db2.gz JHPVAUNLLZMFKC-AWEZNQCLSA-N 1 2 255.317 1.785 20 30 CDEDLO C#CC[N@H+](CC#CC)C[C@H]1COc2ccccc2O1 ZINC000743854696 576658563 /nfs/dbraw/zinc/65/85/63/576658563.db2.gz JHPVAUNLLZMFKC-AWEZNQCLSA-N 1 2 255.317 1.785 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)CSCCC(C)C)CC1 ZINC000744364650 576677741 /nfs/dbraw/zinc/67/77/41/576677741.db2.gz WNBLOSNGZPBKFN-UHFFFAOYSA-N 1 2 282.453 1.933 20 30 CDEDLO CC(N=NC1=[NH+][C@H]2CCCC[C@@H]2N1)C1CCOCC1 ZINC000753934819 576866545 /nfs/dbraw/zinc/86/65/45/576866545.db2.gz KFBFDGVMRJYONO-STQMWFEESA-N 1 2 264.373 1.649 20 30 CDEDLO C[C@H]1CC(=NN2C(=O)c3ccccc3C2=O)C[N@@H+]1C1CC1 ZINC000753956104 576869647 /nfs/dbraw/zinc/86/96/47/576869647.db2.gz UHKWQIWFXBLKNQ-JTQLQIEISA-N 1 2 283.331 1.895 20 30 CDEDLO C[C@H]1CC(=NN2C(=O)c3ccccc3C2=O)C[N@H+]1C1CC1 ZINC000753956104 576869649 /nfs/dbraw/zinc/86/96/49/576869649.db2.gz UHKWQIWFXBLKNQ-JTQLQIEISA-N 1 2 283.331 1.895 20 30 CDEDLO C#CC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000754016002 576873700 /nfs/dbraw/zinc/87/37/00/576873700.db2.gz PXYDKQDRVZYYRR-LBPRGKRZSA-N 1 2 258.321 1.652 20 30 CDEDLO Cc1cc(C(N)=[NH+]OC[C@@H]2CCOC2)ccc1F ZINC000747824203 576885549 /nfs/dbraw/zinc/88/55/49/576885549.db2.gz GWQZMHHXMBEEIT-SNVBAGLBSA-N 1 2 252.289 1.808 20 30 CDEDLO Cc1cc(=O)nc(NN=C2C[N@H+](C(C)C)C[C@H]2C)[nH]1 ZINC000754255872 576888226 /nfs/dbraw/zinc/88/82/26/576888226.db2.gz SJFPRMCJQFUBHY-SECBINFHSA-N 1 2 263.345 1.619 20 30 CDEDLO Cc1cc(=O)nc(NN=C2C[N@@H+](C(C)C)C[C@H]2C)[nH]1 ZINC000754255872 576888227 /nfs/dbraw/zinc/88/82/27/576888227.db2.gz SJFPRMCJQFUBHY-SECBINFHSA-N 1 2 263.345 1.619 20 30 CDEDLO Cc1cc(=O)[nH]c(N=NC2C[N@H+](C(C)C)C[C@H]2C)n1 ZINC000754255872 576888228 /nfs/dbraw/zinc/88/82/28/576888228.db2.gz SJFPRMCJQFUBHY-SECBINFHSA-N 1 2 263.345 1.619 20 30 CDEDLO Cc1cc(=O)[nH]c(N=NC2C[N@@H+](C(C)C)C[C@H]2C)n1 ZINC000754255872 576888229 /nfs/dbraw/zinc/88/82/29/576888229.db2.gz SJFPRMCJQFUBHY-SECBINFHSA-N 1 2 263.345 1.619 20 30 CDEDLO CCc1nc([C@@H](C)[NH2+]CC(=O)NCCC#N)cs1 ZINC000754793071 576915934 /nfs/dbraw/zinc/91/59/34/576915934.db2.gz SBVJIHLOAQNGFK-SECBINFHSA-N 1 2 266.370 1.386 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000748835183 576928853 /nfs/dbraw/zinc/92/88/53/576928853.db2.gz ZPRIOIBIBUFCOM-BXUZGUMPSA-N 1 2 260.312 1.710 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000748835183 576928855 /nfs/dbraw/zinc/92/88/55/576928855.db2.gz ZPRIOIBIBUFCOM-BXUZGUMPSA-N 1 2 260.312 1.710 20 30 CDEDLO CCC1N=NC(=S)N1N=Cc1c[nH+]c2ccc(C)cn12 ZINC000755507660 576947483 /nfs/dbraw/zinc/94/74/83/576947483.db2.gz GYXDEFYENLMONV-UHFFFAOYSA-N 1 2 286.364 1.968 20 30 CDEDLO CCN1C(=O)C(=NN=Cc2[nH+]c[nH]c2C)c2ccccc21 ZINC000755520424 576948102 /nfs/dbraw/zinc/94/81/02/576948102.db2.gz YLQGDXAGPJSQLO-UHFFFAOYSA-N 1 2 281.319 1.908 20 30 CDEDLO C=CCOCC(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000755889485 576966048 /nfs/dbraw/zinc/96/60/48/576966048.db2.gz YSTBADUPAJYOCR-UHFFFAOYSA-N 1 2 250.298 1.393 20 30 CDEDLO N#Cc1cccn(C[N@@H+]2CCC[C@H]2c2ccccn2)c1=O ZINC000758198274 577080769 /nfs/dbraw/zinc/08/07/69/577080769.db2.gz NKHTVSXXVCMWRJ-HNNXBMFYSA-N 1 2 280.331 1.910 20 30 CDEDLO N#Cc1cccn(C[N@H+]2CCC[C@H]2c2ccccn2)c1=O ZINC000758198274 577080770 /nfs/dbraw/zinc/08/07/70/577080770.db2.gz NKHTVSXXVCMWRJ-HNNXBMFYSA-N 1 2 280.331 1.910 20 30 CDEDLO C=CCNC(=S)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000759137417 577155257 /nfs/dbraw/zinc/15/52/57/577155257.db2.gz MXQVILGRDGCRGT-VXGBXAGGSA-N 1 2 264.398 1.827 20 30 CDEDLO C#CCOCCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000753384173 577165279 /nfs/dbraw/zinc/16/52/79/577165279.db2.gz VTJMWOBVAYPWKA-GFCCVEGCSA-N 1 2 276.340 1.296 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2ncccc2F)CC1 ZINC000982683835 613160340 /nfs/dbraw/zinc/16/03/40/613160340.db2.gz XNEVANVCDKQKKN-UHFFFAOYSA-N 1 2 261.300 1.002 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2ncccc2F)CC1 ZINC000982683835 613160342 /nfs/dbraw/zinc/16/03/42/613160342.db2.gz XNEVANVCDKQKKN-UHFFFAOYSA-N 1 2 261.300 1.002 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)C3CC3)C2)C1 ZINC000972510630 613210959 /nfs/dbraw/zinc/21/09/59/613210959.db2.gz CBCAYPYMPWJWHD-KRWDZBQOSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)C3CC3)C2)C1 ZINC000972510630 613210960 /nfs/dbraw/zinc/21/09/60/613210960.db2.gz CBCAYPYMPWJWHD-KRWDZBQOSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C=C3CCC3)C2)C1 ZINC000972337578 613210974 /nfs/dbraw/zinc/21/09/74/613210974.db2.gz YRFORPAITWTFHI-INIZCTEOSA-N 1 2 274.364 1.033 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C=C3CCC3)C2)C1 ZINC000972337578 613210975 /nfs/dbraw/zinc/21/09/75/613210975.db2.gz YRFORPAITWTFHI-INIZCTEOSA-N 1 2 274.364 1.033 20 30 CDEDLO C=C(C)CC[NH+]1CC(N(CC)C(=O)c2cnns2)C1 ZINC000949733079 613246992 /nfs/dbraw/zinc/24/69/92/613246992.db2.gz RUNTURPWCSFPEM-UHFFFAOYSA-N 1 2 280.397 1.651 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC000950942517 613294592 /nfs/dbraw/zinc/29/45/92/613294592.db2.gz NBJCCGKGUWWYGW-CVEARBPZSA-N 1 2 292.423 1.910 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCO[C@H](C)C2)C1 ZINC000957048589 613295555 /nfs/dbraw/zinc/29/55/55/613295555.db2.gz ANTKZHNKNZHPRS-KGLIPLIRSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cn(C)cn2)C1 ZINC000949890940 613296981 /nfs/dbraw/zinc/29/69/81/613296981.db2.gz FLJAGJFRRBBYFN-UHFFFAOYSA-N 1 2 262.357 1.143 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnc3cccnn23)C1 ZINC000952409694 613297359 /nfs/dbraw/zinc/29/73/59/613297359.db2.gz SFCBJUXTHOYRHE-UHFFFAOYSA-N 1 2 299.378 1.452 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnn3ncccc23)C1 ZINC000950522459 613297379 /nfs/dbraw/zinc/29/73/79/613297379.db2.gz ISLBFWPABMTFSP-UHFFFAOYSA-N 1 2 299.378 1.452 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2coc(CC)n2)C1 ZINC000949934647 613297496 /nfs/dbraw/zinc/29/74/96/613297496.db2.gz LHZMTIOBJZHJHR-UHFFFAOYSA-N 1 2 277.368 1.959 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccnc(OCC)c2)CC1 ZINC000950411005 613321512 /nfs/dbraw/zinc/32/15/12/613321512.db2.gz BPRUIUUIUFMNSI-UHFFFAOYSA-N 1 2 289.379 1.814 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2CCC2)C1 ZINC000969185997 613371540 /nfs/dbraw/zinc/37/15/40/613371540.db2.gz JBGXWRVKKLOHAJ-SNVBAGLBSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(C)nn2)C1 ZINC000969637713 613372323 /nfs/dbraw/zinc/37/23/23/613372323.db2.gz KEUUHJMZIPAXGQ-NSHDSACASA-N 1 2 294.786 1.588 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ncc[nH]2)C1 ZINC000969638647 613372620 /nfs/dbraw/zinc/37/26/20/613372620.db2.gz UFTCCSJYDHKPQD-VIFPVBQESA-N 1 2 268.748 1.212 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC000965344207 613375486 /nfs/dbraw/zinc/37/54/86/613375486.db2.gz GEJDLHDSTAWDDH-SKDRFNHKSA-N 1 2 282.775 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC000965344207 613375487 /nfs/dbraw/zinc/37/54/87/613375487.db2.gz GEJDLHDSTAWDDH-SKDRFNHKSA-N 1 2 282.775 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2[nH]cnc2C)C1 ZINC000968705810 613377722 /nfs/dbraw/zinc/37/77/22/613377722.db2.gz GDUPBWCLPXIKQH-CABZTGNLSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2[nH]cnc2C)C1 ZINC000968705810 613377723 /nfs/dbraw/zinc/37/77/23/613377723.db2.gz GDUPBWCLPXIKQH-CABZTGNLSA-N 1 2 296.802 1.911 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)C[N@H+](CC#CC)CCO2 ZINC000972497822 613441605 /nfs/dbraw/zinc/44/16/05/613441605.db2.gz OIDCUAJCMGODBP-KRWDZBQOSA-N 1 2 290.407 1.525 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)C[N@@H+](CC#CC)CCO2 ZINC000972497822 613441606 /nfs/dbraw/zinc/44/16/06/613441606.db2.gz OIDCUAJCMGODBP-KRWDZBQOSA-N 1 2 290.407 1.525 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000969830406 613475143 /nfs/dbraw/zinc/47/51/43/613475143.db2.gz LCYAORALSIUKQR-RISCZKNCSA-N 1 2 294.424 1.831 20 30 CDEDLO O=C(CNc1cccc[nH+]1)NCC#C[C@H]1CCCCO1 ZINC000891112775 617365239 /nfs/dbraw/zinc/36/52/39/617365239.db2.gz OQVLIOZKWNVCRX-CYBMUJFWSA-N 1 2 273.336 1.182 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2csc(C3CC3)n2)CC1 ZINC000951215055 613710033 /nfs/dbraw/zinc/71/00/33/613710033.db2.gz SDJIAIZJGLWVBS-UHFFFAOYSA-N 1 2 291.420 1.893 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCO[C@@H](CC)C2)CC1 ZINC000957107287 613711339 /nfs/dbraw/zinc/71/13/39/613711339.db2.gz QTZXLSAYNGKJHI-KGLIPLIRSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCc3ccccc3O2)CC1 ZINC000952310972 613711384 /nfs/dbraw/zinc/71/13/84/613711384.db2.gz DWQQCACDVDZPJP-INIZCTEOSA-N 1 2 286.375 1.710 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccnn2CCC)CC1 ZINC000948555853 613717384 /nfs/dbraw/zinc/71/73/84/613717384.db2.gz QEQRBQMLWZTYGC-UHFFFAOYSA-N 1 2 262.357 1.237 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnn(CCC)c2C)CC1 ZINC000952394279 613718503 /nfs/dbraw/zinc/71/85/03/613718503.db2.gz VNKNJSBFIZZXLT-UHFFFAOYSA-N 1 2 276.384 1.545 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)F)C2)C1 ZINC000972218024 613722782 /nfs/dbraw/zinc/72/27/82/613722782.db2.gz IMCWFDQOIPSKEH-AWEZNQCLSA-N 1 2 270.348 1.224 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)F)C2)C1 ZINC000972218024 613722786 /nfs/dbraw/zinc/72/27/86/613722786.db2.gz IMCWFDQOIPSKEH-AWEZNQCLSA-N 1 2 270.348 1.224 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cncs3)C2)C1 ZINC000972282860 613724707 /nfs/dbraw/zinc/72/47/07/613724707.db2.gz WWVNSSKXBONDNN-AWEZNQCLSA-N 1 2 293.392 1.246 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cncs3)C2)C1 ZINC000972282860 613724708 /nfs/dbraw/zinc/72/47/08/613724708.db2.gz WWVNSSKXBONDNN-AWEZNQCLSA-N 1 2 293.392 1.246 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)co3)C2)C1 ZINC000972512626 613726153 /nfs/dbraw/zinc/72/61/53/613726153.db2.gz XOJDDJOOAKQILF-MRXNPFEDSA-N 1 2 290.363 1.691 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)co3)C2)C1 ZINC000972512626 613726154 /nfs/dbraw/zinc/72/61/54/613726154.db2.gz XOJDDJOOAKQILF-MRXNPFEDSA-N 1 2 290.363 1.691 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc[nH]c3C)C2)C1 ZINC000972333803 613726188 /nfs/dbraw/zinc/72/61/88/613726188.db2.gz SVOXOOKQCISUNT-MRXNPFEDSA-N 1 2 289.379 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc[nH]c3C)C2)C1 ZINC000972333803 613726191 /nfs/dbraw/zinc/72/61/91/613726191.db2.gz SVOXOOKQCISUNT-MRXNPFEDSA-N 1 2 289.379 1.426 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)SC)C2)C1 ZINC000972341008 613726291 /nfs/dbraw/zinc/72/62/91/613726291.db2.gz AETCOJVMICTAFN-UKRRQHHQSA-N 1 2 298.452 1.617 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)SC)C2)C1 ZINC000972341008 613726295 /nfs/dbraw/zinc/72/62/95/613726295.db2.gz AETCOJVMICTAFN-UKRRQHHQSA-N 1 2 298.452 1.617 20 30 CDEDLO C#CC[NH+]1CCN(c2ncnc3[nH]cc(CC)c32)CC1 ZINC000891678587 617535139 /nfs/dbraw/zinc/53/51/39/617535139.db2.gz KSKUOGLCHDAHLE-UHFFFAOYSA-N 1 2 269.352 1.276 20 30 CDEDLO C#C[C@H](NC(=O)N[C@@H](CC)C[NH+]1CCOCC1)C(C)(C)C ZINC000925602638 617545639 /nfs/dbraw/zinc/54/56/39/617545639.db2.gz VNXCCAYQQRLKLI-KBPBESRZSA-N 1 2 295.427 1.444 20 30 CDEDLO Cn1nc2c(c1C[NH+]1CCC(C#N)CC1)CSCC2 ZINC000893984207 618237474 /nfs/dbraw/zinc/23/74/74/618237474.db2.gz LPNFDHOJBLRGKY-UHFFFAOYSA-N 1 2 276.409 1.945 20 30 CDEDLO COC(=O)[C@H]1[C@@H](C[N@H+](CCC#N)CC2CC2)C1(F)F ZINC000894003960 618243300 /nfs/dbraw/zinc/24/33/00/618243300.db2.gz UZPZFVNUJAZGGP-GHMZBOCLSA-N 1 2 272.295 1.666 20 30 CDEDLO COC(=O)[C@H]1[C@@H](C[N@@H+](CCC#N)CC2CC2)C1(F)F ZINC000894003960 618243302 /nfs/dbraw/zinc/24/33/02/618243302.db2.gz UZPZFVNUJAZGGP-GHMZBOCLSA-N 1 2 272.295 1.666 20 30 CDEDLO C#CCSCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000895482244 619694713 /nfs/dbraw/zinc/69/47/13/619694713.db2.gz ACZGZTLTYHVMNF-UHFFFAOYSA-N 1 2 294.445 1.759 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000896187163 620021092 /nfs/dbraw/zinc/02/10/92/620021092.db2.gz OBPJGVRELZBBPX-UONOGXRCSA-N 1 2 280.412 1.958 20 30 CDEDLO CCn1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)nn1 ZINC000899869018 622495193 /nfs/dbraw/zinc/49/51/93/622495193.db2.gz POSWALNWPDUETQ-CQSZACIVSA-N 1 2 298.350 1.218 20 30 CDEDLO CCn1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)nn1 ZINC000899869018 622495195 /nfs/dbraw/zinc/49/51/95/622495195.db2.gz POSWALNWPDUETQ-CQSZACIVSA-N 1 2 298.350 1.218 20 30 CDEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900133931 622725743 /nfs/dbraw/zinc/72/57/43/622725743.db2.gz BWHNWWQSBBTKSJ-UHFFFAOYSA-N 1 2 298.346 1.499 20 30 CDEDLO N#Cc1ccc(-c2ccn(C[N@H+]3CC[C@@H]3CO)n2)cc1 ZINC000902633654 625069307 /nfs/dbraw/zinc/06/93/07/625069307.db2.gz XFECORKXWMLALD-CQSZACIVSA-N 1 2 268.320 1.446 20 30 CDEDLO N#Cc1ccc(-c2ccn(C[N@@H+]3CC[C@@H]3CO)n2)cc1 ZINC000902633654 625069317 /nfs/dbraw/zinc/06/93/17/625069317.db2.gz XFECORKXWMLALD-CQSZACIVSA-N 1 2 268.320 1.446 20 30 CDEDLO C#CC[N@H+](CN1C[C@H](c2cncn2C)CC1=O)C(C)C ZINC000905750197 626945405 /nfs/dbraw/zinc/94/54/05/626945405.db2.gz VSEYYKBFJLJEPJ-CYBMUJFWSA-N 1 2 274.368 1.037 20 30 CDEDLO C#CC[N@@H+](CN1C[C@H](c2cncn2C)CC1=O)C(C)C ZINC000905750197 626945408 /nfs/dbraw/zinc/94/54/08/626945408.db2.gz VSEYYKBFJLJEPJ-CYBMUJFWSA-N 1 2 274.368 1.037 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC#C[Si](C)(C)C ZINC000912327461 629938714 /nfs/dbraw/zinc/93/87/14/629938714.db2.gz NVZFNMFNZMEHRB-CHWSQXEVSA-N 1 2 289.455 1.911 20 30 CDEDLO CC(C)(CNC(=O)N1CCC[C@@H](C#N)C1)[NH+]1CCOCC1 ZINC000913876763 630856892 /nfs/dbraw/zinc/85/68/92/630856892.db2.gz KPLHISNVJGSGQC-ZDUSSCGKSA-N 1 2 294.399 1.042 20 30 CDEDLO CCOc1ccc(/C=[NH+]/CCCC(N)=O)c(O)c1 ZINC000915980422 631879223 /nfs/dbraw/zinc/87/92/23/631879223.db2.gz REGHUKHWPDCOBL-OQLLNIDSSA-N 1 2 250.298 1.475 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C)CC)C1 ZINC001149167010 1158734301 /nfs/dbraw/zinc/73/43/01/1158734301.db2.gz BCEOZYWDDKUQCD-DGCLKSJQSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](C)CC)C1 ZINC001149167010 1158734305 /nfs/dbraw/zinc/73/43/05/1158734305.db2.gz BCEOZYWDDKUQCD-DGCLKSJQSA-N 1 2 288.819 1.992 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)cn1 ZINC001140539940 1159105863 /nfs/dbraw/zinc/10/58/63/1159105863.db2.gz DOFWINCBJDCRRL-LLVKDONJSA-N 1 2 267.279 1.403 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)cn1 ZINC001140539940 1159105864 /nfs/dbraw/zinc/10/58/64/1159105864.db2.gz DOFWINCBJDCRRL-LLVKDONJSA-N 1 2 267.279 1.403 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)COC)CC[C@H]1C ZINC001131755240 1163031787 /nfs/dbraw/zinc/03/17/87/1163031787.db2.gz CFVVRFZXBKZMFS-MNOVXSKESA-N 1 2 260.765 1.354 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)COC)CC[C@H]1C ZINC001131755240 1163031795 /nfs/dbraw/zinc/03/17/95/1163031795.db2.gz CFVVRFZXBKZMFS-MNOVXSKESA-N 1 2 260.765 1.354 20 30 CDEDLO C=CCOCC(=O)N[C@@H](C)CCNc1cc[nH+]c(C)n1 ZINC001106242280 1161138519 /nfs/dbraw/zinc/13/85/19/1161138519.db2.gz DOAJKUZCQAWFJV-NSHDSACASA-N 1 2 278.356 1.294 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C(F)=C(C)C)[C@H]2C1 ZINC001083048443 1161582804 /nfs/dbraw/zinc/58/28/04/1161582804.db2.gz VAFUBUOYSZMLOO-QWHCGFSZSA-N 1 2 280.343 1.185 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)C(F)=C(C)C)[C@H]2C1 ZINC001083048443 1161582809 /nfs/dbraw/zinc/58/28/09/1161582809.db2.gz VAFUBUOYSZMLOO-QWHCGFSZSA-N 1 2 280.343 1.185 20 30 CDEDLO C=CC[C@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000820449603 1161920076 /nfs/dbraw/zinc/92/00/76/1161920076.db2.gz BQIZNMKITNICHQ-GXFFZTMASA-N 1 2 262.357 1.871 20 30 CDEDLO C=CC[C@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000820449603 1161920078 /nfs/dbraw/zinc/92/00/78/1161920078.db2.gz BQIZNMKITNICHQ-GXFFZTMASA-N 1 2 262.357 1.871 20 30 CDEDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)Nc1ccc(C#N)nc1 ZINC001113155566 1162115981 /nfs/dbraw/zinc/11/59/81/1162115981.db2.gz QIFNEWARZOYDON-GHMZBOCLSA-N 1 2 298.350 1.224 20 30 CDEDLO N#Cc1nccc(NCc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC001642169695 1167158750 /nfs/dbraw/zinc/15/87/50/1167158750.db2.gz YVFSAZMDBVXDPJ-UHFFFAOYSA-N 1 2 276.303 1.568 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc3cccc(O)c3c2)CC1 ZINC001155533147 1167218293 /nfs/dbraw/zinc/21/82/93/1167218293.db2.gz OSFZDLHTBNJPIS-UHFFFAOYSA-N 1 2 297.358 1.884 20 30 CDEDLO N#CC1(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCOCC1 ZINC001649698694 1169292395 /nfs/dbraw/zinc/29/23/95/1169292395.db2.gz LAZQSZGYEQKATA-LBPRGKRZSA-N 1 2 288.351 1.436 20 30 CDEDLO C=CCCCC(=O)N1CC[C@H]([NH2+]Cc2nc(CC)no2)C1 ZINC001690675611 1175542446 /nfs/dbraw/zinc/54/24/46/1175542446.db2.gz XJSXFTPVZSDETQ-LBPRGKRZSA-N 1 2 292.383 1.679 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OCC)c1ccccc1 ZINC001753427865 1185199923 /nfs/dbraw/zinc/19/99/23/1185199923.db2.gz WEDDYPKVRLWDQW-YESZJQIVSA-N 1 2 298.386 1.683 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OCC)c1ccccc1 ZINC001753427865 1185199927 /nfs/dbraw/zinc/19/99/27/1185199927.db2.gz WEDDYPKVRLWDQW-YESZJQIVSA-N 1 2 298.386 1.683 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)C(C)(F)F)C1 ZINC001753656014 1185288484 /nfs/dbraw/zinc/28/84/84/1185288484.db2.gz KGWLWTFEHRPTNS-LLVKDONJSA-N 1 2 290.354 1.671 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C(C)(C)C(C)(F)F)C1 ZINC001753656014 1185288488 /nfs/dbraw/zinc/28/84/88/1185288488.db2.gz KGWLWTFEHRPTNS-LLVKDONJSA-N 1 2 290.354 1.671 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C[C@@H](C)CCC)C1 ZINC001753659303 1185291108 /nfs/dbraw/zinc/29/11/08/1185291108.db2.gz SBIPAKYLCKGKCR-UONOGXRCSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C[C@@H](C)CCC)C1 ZINC001753659303 1185291114 /nfs/dbraw/zinc/29/11/14/1185291114.db2.gz SBIPAKYLCKGKCR-UONOGXRCSA-N 1 2 268.401 1.816 20 30 CDEDLO CC(C)C#CC(=O)NCC1([NH2+][C@@H](C)c2csnn2)CC1 ZINC001754513919 1185653671 /nfs/dbraw/zinc/65/36/71/1185653671.db2.gz JPFIMFWURPGRCX-NSHDSACASA-N 1 2 292.408 1.497 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H](C)[C@@H]2CCCO2)C1 ZINC001754585812 1185674562 /nfs/dbraw/zinc/67/45/62/1185674562.db2.gz DAVDPJQUJSHYPE-JSGCOSHPSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CCOCC(=O)NC[C@@H](C)[N@H+](C)[C@H](C)c1ncc(C)o1 ZINC001755293912 1185896618 /nfs/dbraw/zinc/89/66/18/1185896618.db2.gz BIVCQIOGKSYNRD-DGCLKSJQSA-N 1 2 295.383 1.683 20 30 CDEDLO C=CCOCC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)c1ncc(C)o1 ZINC001755293912 1185896625 /nfs/dbraw/zinc/89/66/25/1185896625.db2.gz BIVCQIOGKSYNRD-DGCLKSJQSA-N 1 2 295.383 1.683 20 30 CDEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)CC(C)C)C1 ZINC001755330774 1185921314 /nfs/dbraw/zinc/92/13/14/1185921314.db2.gz ZBPSCJBTLDTYJS-UHFFFAOYSA-N 1 2 254.374 1.162 20 30 CDEDLO C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)c1[nH]ncc1F ZINC001755515728 1185978022 /nfs/dbraw/zinc/97/80/22/1185978022.db2.gz UDOCCSYWTUEPLP-VIFPVBQESA-N 1 2 288.754 1.789 20 30 CDEDLO C[C@H](C#N)OCC[N@@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000321961680 1186800430 /nfs/dbraw/zinc/80/04/30/1186800430.db2.gz ZVYPWMUITADRLF-PIGZYNQJSA-N 1 2 258.387 1.148 20 30 CDEDLO C[C@H](C#N)OCC[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000321961680 1186800434 /nfs/dbraw/zinc/80/04/34/1186800434.db2.gz ZVYPWMUITADRLF-PIGZYNQJSA-N 1 2 258.387 1.148 20 30 CDEDLO C[NH+]1CCC(C#N)(NC(=O)c2ccc(C=O)s2)CC1 ZINC000865199182 758856765 /nfs/dbraw/zinc/85/67/65/758856765.db2.gz QJMQJTBIPXWMEB-UHFFFAOYSA-N 1 2 277.349 1.278 20 30 CDEDLO C#CC1CCN(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000825728410 758877393 /nfs/dbraw/zinc/87/73/93/758877393.db2.gz VDBKSKMLLHUPJI-GFCCVEGCSA-N 1 2 260.341 1.326 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](F)C(C)C)CCO2 ZINC001053380023 758880373 /nfs/dbraw/zinc/88/03/73/758880373.db2.gz LLTVBXZXPBLSLE-ZDUSSCGKSA-N 1 2 284.375 1.470 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cn2nc(C)c3cccnc32)C1 ZINC001030716767 758883048 /nfs/dbraw/zinc/88/30/48/758883048.db2.gz NAGYDRPNMUFGLR-UHFFFAOYSA-N 1 2 299.378 1.116 20 30 CDEDLO C[N@H+](CC(F)F)C1CCN(C(=O)CCCC#N)CC1 ZINC000812523472 758883312 /nfs/dbraw/zinc/88/33/12/758883312.db2.gz QUKIWUOCJQGXQQ-UHFFFAOYSA-N 1 2 273.327 1.868 20 30 CDEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)CCCC#N)CC1 ZINC000812523472 758883313 /nfs/dbraw/zinc/88/33/13/758883313.db2.gz QUKIWUOCJQGXQQ-UHFFFAOYSA-N 1 2 273.327 1.868 20 30 CDEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1nccn(C)c1=O ZINC000792636055 758884605 /nfs/dbraw/zinc/88/46/05/758884605.db2.gz OIUZSGGPDCHPLQ-UHFFFAOYSA-N 1 2 297.362 1.584 20 30 CDEDLO CC(C)(C)c1cn(CC(=O)NC2(C#N)CCC2)c[nH+]1 ZINC000865376479 758954224 /nfs/dbraw/zinc/95/42/24/758954224.db2.gz OTPILGLMVQNFIN-UHFFFAOYSA-N 1 2 260.341 1.743 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccccc1CC ZINC000884051154 758970962 /nfs/dbraw/zinc/97/09/62/758970962.db2.gz WXAWDNOOGHVLGY-LBPRGKRZSA-N 1 2 276.336 1.634 20 30 CDEDLO C=CCC[C@@H]1NC(=O)N(CCCCn2cc[nH+]c2)C1=O ZINC000842238335 759009888 /nfs/dbraw/zinc/00/98/88/759009888.db2.gz OCKLJZQPDQFSLI-LBPRGKRZSA-N 1 2 276.340 1.550 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCOC2(C[NH+](C[C@@H](C)OC)C2)C1 ZINC001053373236 759030316 /nfs/dbraw/zinc/03/03/16/759030316.db2.gz NAHXMLWUZVHPPY-CYBMUJFWSA-N 1 2 296.411 1.147 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCCO2)C1 ZINC001046235751 771054539 /nfs/dbraw/zinc/05/45/39/771054539.db2.gz KHLWPHUHTUNROZ-GXTWGEPZSA-N 1 2 286.803 1.889 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1nc(C)c(C)nc1C ZINC001038491798 768824452 /nfs/dbraw/zinc/82/44/52/768824452.db2.gz IIQGSHLAHQVQCY-AWEZNQCLSA-N 1 2 286.379 1.229 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1nc(C)c(C)nc1C ZINC001038491798 768824455 /nfs/dbraw/zinc/82/44/55/768824455.db2.gz IIQGSHLAHQVQCY-AWEZNQCLSA-N 1 2 286.379 1.229 20 30 CDEDLO CCCn1ncnc1CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000853657692 768828693 /nfs/dbraw/zinc/82/86/93/768828693.db2.gz WEUXNIZUOXZFGH-UHFFFAOYSA-N 1 2 291.330 1.973 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2[nH]cnc2C)C1 ZINC001033712148 768835324 /nfs/dbraw/zinc/83/53/24/768835324.db2.gz WCVTZXFTXOQKSO-LLVKDONJSA-N 1 2 282.775 1.617 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2[nH]cnc2C)C1 ZINC001033712148 768835325 /nfs/dbraw/zinc/83/53/25/768835325.db2.gz WCVTZXFTXOQKSO-LLVKDONJSA-N 1 2 282.775 1.617 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001035452884 768835786 /nfs/dbraw/zinc/83/57/86/768835786.db2.gz UTVLAQNYVZTMLS-IJEWVQPXSA-N 1 2 278.396 1.570 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001035452884 768835787 /nfs/dbraw/zinc/83/57/87/768835787.db2.gz UTVLAQNYVZTMLS-IJEWVQPXSA-N 1 2 278.396 1.570 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2n1CCCCC2 ZINC001032472760 768856105 /nfs/dbraw/zinc/85/61/05/768856105.db2.gz PEWLUDSDGQOGII-KBPBESRZSA-N 1 2 298.390 1.141 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2n1CCCCC2 ZINC001032472760 768856106 /nfs/dbraw/zinc/85/61/06/768856106.db2.gz PEWLUDSDGQOGII-KBPBESRZSA-N 1 2 298.390 1.141 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2snnc2CC)[C@H]1C ZINC000993556095 768868364 /nfs/dbraw/zinc/86/83/64/768868364.db2.gz LOSCTOLDIXICIS-PWSUYJOCSA-N 1 2 292.408 1.316 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2snnc2CC)[C@H]1C ZINC000993556095 768868365 /nfs/dbraw/zinc/86/83/65/768868365.db2.gz LOSCTOLDIXICIS-PWSUYJOCSA-N 1 2 292.408 1.316 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc(C)c(OC)c2)C1 ZINC001030648141 768869644 /nfs/dbraw/zinc/86/96/44/768869644.db2.gz QRGBMBHSJYGXAD-UHFFFAOYSA-N 1 2 286.375 1.370 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001007547717 768873169 /nfs/dbraw/zinc/87/31/69/768873169.db2.gz QOPPGLYWHBUKBS-LLVKDONJSA-N 1 2 296.758 1.129 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001007547717 768873172 /nfs/dbraw/zinc/87/31/72/768873172.db2.gz QOPPGLYWHBUKBS-LLVKDONJSA-N 1 2 296.758 1.129 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)C1CC(C)C1)O2 ZINC001053589258 768884395 /nfs/dbraw/zinc/88/43/95/768884395.db2.gz DQHGSUVMQBEMJV-YMAMQOFZSA-N 1 2 292.423 1.958 20 30 CDEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C(CC)CC)C2)CC1 ZINC001051985222 768895611 /nfs/dbraw/zinc/89/56/11/768895611.db2.gz VFWVCDKVMFTJGZ-MRXNPFEDSA-N 1 2 291.439 1.274 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cnnn2C)CC[C@H]1C ZINC001071482156 768897261 /nfs/dbraw/zinc/89/72/61/768897261.db2.gz UUTCOSXAUHHUGB-MNOVXSKESA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cnnn2C)CC[C@H]1C ZINC001071482156 768897262 /nfs/dbraw/zinc/89/72/62/768897262.db2.gz UUTCOSXAUHHUGB-MNOVXSKESA-N 1 2 297.790 1.150 20 30 CDEDLO C[C@@H](O)CCO[NH+]=C(N)c1ccc(Br)cc1 ZINC000842040400 768924883 /nfs/dbraw/zinc/92/48/83/768924883.db2.gz VIGSTNLSTVGDKD-MRVPVSSYSA-N 1 2 287.157 1.857 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC(F)(F)C1 ZINC001032482685 768994401 /nfs/dbraw/zinc/99/44/01/768994401.db2.gz DYBIYGQXXKYEFN-RYUDHWBXSA-N 1 2 268.307 1.340 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC(F)(F)C1 ZINC001032482685 768994415 /nfs/dbraw/zinc/99/44/15/768994415.db2.gz DYBIYGQXXKYEFN-RYUDHWBXSA-N 1 2 268.307 1.340 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)N2CCC[C@H](CC#N)C2)CCO1 ZINC000853607443 769002411 /nfs/dbraw/zinc/00/24/11/769002411.db2.gz ZKMGIMUDGLPOCP-ZIAGYGMSSA-N 1 2 294.399 1.042 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCC[C@H](CC#N)C2)CCO1 ZINC000853607443 769002422 /nfs/dbraw/zinc/00/24/22/769002422.db2.gz ZKMGIMUDGLPOCP-ZIAGYGMSSA-N 1 2 294.399 1.042 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000884076870 769036235 /nfs/dbraw/zinc/03/62/35/769036235.db2.gz RHYGKHQKMAKEQR-XQQFMLRXSA-N 1 2 282.384 1.470 20 30 CDEDLO C[C@@H]1C[NH+]=C(NN=Cc2cccc(Cl)c2O)N1 ZINC000779797859 769054197 /nfs/dbraw/zinc/05/41/97/769054197.db2.gz KKPMQJDLLLHJJI-SSDOTTSWSA-N 1 2 252.705 1.317 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ncoc1C)CO2 ZINC001053753391 769059420 /nfs/dbraw/zinc/05/94/20/769059420.db2.gz QNSPDMPEEOJTCE-LBPRGKRZSA-N 1 2 291.351 1.132 20 30 CDEDLO Cc1[nH+]cc(C=NNC[C@H]2COc3ccccc3O2)n1C ZINC000863198548 769370898 /nfs/dbraw/zinc/37/08/98/769370898.db2.gz PHCSYRMZCXSGPJ-ZDUSSCGKSA-N 1 2 286.335 1.492 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cnon3)C[C@@H]21 ZINC001042275321 769458272 /nfs/dbraw/zinc/45/82/72/769458272.db2.gz APQWWHGXJPETNC-JQWIXIFHSA-N 1 2 296.758 1.359 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3cnon3)C[C@@H]21 ZINC001042275321 769458277 /nfs/dbraw/zinc/45/82/77/769458277.db2.gz APQWWHGXJPETNC-JQWIXIFHSA-N 1 2 296.758 1.359 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC001031097595 769484123 /nfs/dbraw/zinc/48/41/23/769484123.db2.gz HVIFPIHHIPDJSP-UHFFFAOYSA-N 1 2 294.358 1.514 20 30 CDEDLO C#CCOCCC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882872471 769511600 /nfs/dbraw/zinc/51/16/00/769511600.db2.gz GHHGRAKIWHSRKJ-INIZCTEOSA-N 1 2 297.358 1.781 20 30 CDEDLO C=CCCCNC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875545228 769561699 /nfs/dbraw/zinc/56/16/99/769561699.db2.gz RBIPAVCBCZWIML-ZDUSSCGKSA-N 1 2 269.389 1.363 20 30 CDEDLO C=CCCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875545228 769561721 /nfs/dbraw/zinc/56/17/21/769561721.db2.gz RBIPAVCBCZWIML-ZDUSSCGKSA-N 1 2 269.389 1.363 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC)n2)C1 ZINC001033061246 769593106 /nfs/dbraw/zinc/59/31/06/769593106.db2.gz IQVNCJSMVMBMAB-LLVKDONJSA-N 1 2 297.790 1.197 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC)n2)C1 ZINC001033061246 769593123 /nfs/dbraw/zinc/59/31/23/769593123.db2.gz IQVNCJSMVMBMAB-LLVKDONJSA-N 1 2 297.790 1.197 20 30 CDEDLO Cn1cc[nH+]c1NN=Cc1ccc(S(C)(=O)=O)cc1 ZINC000790306275 769613770 /nfs/dbraw/zinc/61/37/70/769613770.db2.gz VPGTZXZHTNAGAG-UHFFFAOYSA-N 1 2 278.337 1.270 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)[nH]1 ZINC001017910824 769624774 /nfs/dbraw/zinc/62/47/74/769624774.db2.gz XFACNILISRVDOM-PHIMTYICSA-N 1 2 277.755 1.590 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)[nH]1 ZINC001017910824 769624781 /nfs/dbraw/zinc/62/47/81/769624781.db2.gz XFACNILISRVDOM-PHIMTYICSA-N 1 2 277.755 1.590 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc2c[nH]nc2cc1C ZINC000791056064 769658005 /nfs/dbraw/zinc/65/80/05/769658005.db2.gz RVJHSGGYHCRQHV-HNNXBMFYSA-N 1 2 282.347 1.907 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc2c[nH]nc2cc1C ZINC000791056064 769658039 /nfs/dbraw/zinc/65/80/39/769658039.db2.gz RVJHSGGYHCRQHV-HNNXBMFYSA-N 1 2 282.347 1.907 20 30 CDEDLO C=C(C)CONC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000845601679 769676318 /nfs/dbraw/zinc/67/63/18/769676318.db2.gz RHIUQKFCGGGLFH-LBPRGKRZSA-N 1 2 276.340 1.467 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccc(OC)cc2C)C1 ZINC001030371488 769695902 /nfs/dbraw/zinc/69/59/02/769695902.db2.gz SPHLIQICYXUBDC-UHFFFAOYSA-N 1 2 288.391 1.923 20 30 CDEDLO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CCC)[nH]n1 ZINC001032554532 769748397 /nfs/dbraw/zinc/74/83/97/769748397.db2.gz YVVHHNZKHCRTEY-KBPBESRZSA-N 1 2 286.379 1.284 20 30 CDEDLO C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CCC)[nH]n1 ZINC001032554532 769748411 /nfs/dbraw/zinc/74/84/11/769748411.db2.gz YVVHHNZKHCRTEY-KBPBESRZSA-N 1 2 286.379 1.284 20 30 CDEDLO C[N@H+](CCS(C)(=O)=O)Cc1ccc(CC#N)cc1 ZINC000398986943 769776503 /nfs/dbraw/zinc/77/65/03/769776503.db2.gz IJVMBBTZSYADJC-UHFFFAOYSA-N 1 2 266.366 1.229 20 30 CDEDLO C[N@@H+](CCS(C)(=O)=O)Cc1ccc(CC#N)cc1 ZINC000398986943 769776529 /nfs/dbraw/zinc/77/65/29/769776529.db2.gz IJVMBBTZSYADJC-UHFFFAOYSA-N 1 2 266.366 1.229 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCC[C@@H](F)C2)C1 ZINC001030299596 769801532 /nfs/dbraw/zinc/80/15/32/769801532.db2.gz WJVRRIROTCXLPZ-NWDGAFQWSA-N 1 2 254.349 1.891 20 30 CDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2ccn[nH]2)C1 ZINC001031557933 769807877 /nfs/dbraw/zinc/80/78/77/769807877.db2.gz KTNFJTKTKRIHBY-UHFFFAOYSA-N 1 2 295.346 1.143 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC1(C)C)CO2 ZINC001053781206 769833153 /nfs/dbraw/zinc/83/31/53/769833153.db2.gz GAKNGMIMDLUKAW-QWHCGFSZSA-N 1 2 276.380 1.015 20 30 CDEDLO Cc1nc2sccn2c1C[N@H+](C)C[C@H](O)CC#N ZINC000930026817 769846581 /nfs/dbraw/zinc/84/65/81/769846581.db2.gz MSBRPOOTAUJTMZ-SNVBAGLBSA-N 1 2 264.354 1.411 20 30 CDEDLO Cc1nc2sccn2c1C[N@@H+](C)C[C@H](O)CC#N ZINC000930026817 769846582 /nfs/dbraw/zinc/84/65/82/769846582.db2.gz MSBRPOOTAUJTMZ-SNVBAGLBSA-N 1 2 264.354 1.411 20 30 CDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1ccon1 ZINC001031561203 769847018 /nfs/dbraw/zinc/84/70/18/769847018.db2.gz BYDYCUJSMVBWRR-UHFFFAOYSA-N 1 2 295.342 1.388 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cn3cc(C)ccc3n2)C1 ZINC001043075932 769877106 /nfs/dbraw/zinc/87/71/06/769877106.db2.gz IVDDMTSMQQNKOP-UHFFFAOYSA-N 1 2 296.374 1.422 20 30 CDEDLO CN(C)c1ncc(C=[NH+]NCc2ccc(F)c(F)c2)cn1 ZINC000814808341 769882328 /nfs/dbraw/zinc/88/23/28/769882328.db2.gz HVZCNXGIMPDAGQ-UHFFFAOYSA-N 1 2 291.305 1.945 20 30 CDEDLO C[C@H]1CCN(CC#N)C[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000967359975 769891661 /nfs/dbraw/zinc/89/16/61/769891661.db2.gz ZGIKVVTWYFMZQO-QWHCGFSZSA-N 1 2 297.362 1.298 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnn3c2ccc(C)c3C)C1 ZINC001030469834 769894513 /nfs/dbraw/zinc/89/45/13/769894513.db2.gz OZPPNIXWSQFRRF-UHFFFAOYSA-N 1 2 296.374 1.388 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc(C2CC2)oc1C ZINC001038860096 769900381 /nfs/dbraw/zinc/90/03/81/769900381.db2.gz OUVZEWHJAYYIFP-CYBMUJFWSA-N 1 2 287.363 1.688 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1nc(C2CC2)oc1C ZINC001038860096 769900405 /nfs/dbraw/zinc/90/04/05/769900405.db2.gz OUVZEWHJAYYIFP-CYBMUJFWSA-N 1 2 287.363 1.688 20 30 CDEDLO C=CCCON=C(N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181838996 770013538 /nfs/dbraw/zinc/01/35/38/770013538.db2.gz CFOROGUZWJXYIT-HNNXBMFYSA-N 1 2 289.379 1.752 20 30 CDEDLO C=CCCON=C(N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181838996 770013552 /nfs/dbraw/zinc/01/35/52/770013552.db2.gz CFOROGUZWJXYIT-HNNXBMFYSA-N 1 2 289.379 1.752 20 30 CDEDLO C[C@@H](C#N)OCC[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000801926027 770015976 /nfs/dbraw/zinc/01/59/76/770015976.db2.gz UJXJSHXCHNPCNP-DZGCQCFKSA-N 1 2 260.337 1.989 20 30 CDEDLO C[C@@H](C#N)OCC[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000801926027 770015990 /nfs/dbraw/zinc/01/59/90/770015990.db2.gz UJXJSHXCHNPCNP-DZGCQCFKSA-N 1 2 260.337 1.989 20 30 CDEDLO COCC#CCOC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000780093671 770041140 /nfs/dbraw/zinc/04/11/40/770041140.db2.gz ZMCFSWJUXFUYKB-CQSZACIVSA-N 1 2 261.321 1.482 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2c[nH]c3c2cccc3C)C1 ZINC001031049928 770062018 /nfs/dbraw/zinc/06/20/18/770062018.db2.gz SSDZZNFOGWHKHQ-UHFFFAOYSA-N 1 2 295.386 1.843 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NC2CCCCCCC2)C1 ZINC000829969231 770099293 /nfs/dbraw/zinc/09/92/93/770099293.db2.gz OHGJIVJDXIHHRK-MRXNPFEDSA-N 1 2 293.411 1.566 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NC2CCCCCCC2)C1 ZINC000829969231 770099310 /nfs/dbraw/zinc/09/93/10/770099310.db2.gz OHGJIVJDXIHHRK-MRXNPFEDSA-N 1 2 293.411 1.566 20 30 CDEDLO C=CCN1CC[C@H](O[NH+]=C(N)Cc2ccccc2)C1=O ZINC000809993781 770103454 /nfs/dbraw/zinc/10/34/54/770103454.db2.gz GAJXBIYLLVIXOQ-ZDUSSCGKSA-N 1 2 273.336 1.514 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(CC)n1 ZINC001017494004 770149761 /nfs/dbraw/zinc/14/97/61/770149761.db2.gz HCLQJLDLKNZIRH-BETUJISGSA-N 1 2 287.363 1.549 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(CC)n1 ZINC001017494004 770149862 /nfs/dbraw/zinc/14/98/62/770149862.db2.gz HCLQJLDLKNZIRH-BETUJISGSA-N 1 2 287.363 1.549 20 30 CDEDLO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1[nH]nc(CC)c1Cl ZINC001038358032 770154018 /nfs/dbraw/zinc/15/40/18/770154018.db2.gz URIRYIFSONAOQR-SNVBAGLBSA-N 1 2 294.786 1.453 20 30 CDEDLO C[C@@H](C#N)CNC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000921881974 770181805 /nfs/dbraw/zinc/18/18/05/770181805.db2.gz XVXMGBNETOQYCH-LBPRGKRZSA-N 1 2 287.367 1.827 20 30 CDEDLO CCCNc1cc(N2CC[C@@](O)(CC#N)C2)nc[nH+]1 ZINC000865899824 770230682 /nfs/dbraw/zinc/23/06/82/770230682.db2.gz PRWHRWBTAWMZGI-ZDUSSCGKSA-N 1 2 261.329 1.153 20 30 CDEDLO CCCNc1cc(N2CC[C@@](O)(CC#N)C2)[nH+]cn1 ZINC000865899824 770230721 /nfs/dbraw/zinc/23/07/21/770230721.db2.gz PRWHRWBTAWMZGI-ZDUSSCGKSA-N 1 2 261.329 1.153 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccoc2CC)C1 ZINC001035356151 770325512 /nfs/dbraw/zinc/32/55/12/770325512.db2.gz NDXNWDHBFUPNAI-GFCCVEGCSA-N 1 2 278.352 1.459 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccoc2CC)C1 ZINC001035356151 770325527 /nfs/dbraw/zinc/32/55/27/770325527.db2.gz NDXNWDHBFUPNAI-GFCCVEGCSA-N 1 2 278.352 1.459 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(-c2ccccc2)[nH]1 ZINC001038757645 770367167 /nfs/dbraw/zinc/36/71/67/770367167.db2.gz QMBQBJRMTJZNNU-AWEZNQCLSA-N 1 2 294.358 1.514 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(-c2ccccc2)[nH]1 ZINC001038757645 770367191 /nfs/dbraw/zinc/36/71/91/770367191.db2.gz QMBQBJRMTJZNNU-AWEZNQCLSA-N 1 2 294.358 1.514 20 30 CDEDLO C#CC[C@@H](CO)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000820580636 770415384 /nfs/dbraw/zinc/41/53/84/770415384.db2.gz AGIKTFGRGODBGL-LBPRGKRZSA-N 1 2 293.330 1.612 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(F)c(F)cc1F ZINC001038647172 770562514 /nfs/dbraw/zinc/56/25/14/770562514.db2.gz OSLMJIXSDSEBBG-VIFPVBQESA-N 1 2 282.265 1.541 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)c(F)cc1F ZINC001038647172 770562538 /nfs/dbraw/zinc/56/25/38/770562538.db2.gz OSLMJIXSDSEBBG-VIFPVBQESA-N 1 2 282.265 1.541 20 30 CDEDLO C=C(C)C[N@@H+]1CCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001072757738 770815354 /nfs/dbraw/zinc/81/53/54/770815354.db2.gz UTQSQDMSVJCCLD-SNVBAGLBSA-N 1 2 294.292 1.997 20 30 CDEDLO C=C(C)C[N@H+]1CCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001072757738 770815359 /nfs/dbraw/zinc/81/53/59/770815359.db2.gz UTQSQDMSVJCCLD-SNVBAGLBSA-N 1 2 294.292 1.997 20 30 CDEDLO C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001072757738 770815361 /nfs/dbraw/zinc/81/53/61/770815361.db2.gz UTQSQDMSVJCCLD-SNVBAGLBSA-N 1 2 294.292 1.997 20 30 CDEDLO C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001072757738 770815362 /nfs/dbraw/zinc/81/53/62/770815362.db2.gz UTQSQDMSVJCCLD-SNVBAGLBSA-N 1 2 294.292 1.997 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)C2CC2)C1 ZINC001010446103 770826904 /nfs/dbraw/zinc/82/69/04/770826904.db2.gz KCXQDGKVSPRGHO-PWSUYJOCSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C2CC2)C1 ZINC001010446103 770826907 /nfs/dbraw/zinc/82/69/07/770826907.db2.gz KCXQDGKVSPRGHO-PWSUYJOCSA-N 1 2 256.777 1.976 20 30 CDEDLO C=CC[N@H+]1C[C@H](NC(=O)c2ccc3[nH]nnc3c2)CC[C@@H]1C ZINC001072067833 770848525 /nfs/dbraw/zinc/84/85/25/770848525.db2.gz WJMWDXGNLFDGJR-WCQYABFASA-N 1 2 299.378 1.727 20 30 CDEDLO C=CC[N@@H+]1C[C@H](NC(=O)c2ccc3[nH]nnc3c2)CC[C@@H]1C ZINC001072067833 770848527 /nfs/dbraw/zinc/84/85/27/770848527.db2.gz WJMWDXGNLFDGJR-WCQYABFASA-N 1 2 299.378 1.727 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1oncc1C ZINC001028236926 770853422 /nfs/dbraw/zinc/85/34/22/770853422.db2.gz BDCGMUDODINWBN-NSHDSACASA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1oncc1C ZINC001028236926 770853424 /nfs/dbraw/zinc/85/34/24/770853424.db2.gz BDCGMUDODINWBN-NSHDSACASA-N 1 2 283.759 1.930 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(NC)cc1 ZINC000884433983 770871939 /nfs/dbraw/zinc/87/19/39/770871939.db2.gz XHAZPSQTPGNJGG-LBPRGKRZSA-N 1 2 277.324 1.113 20 30 CDEDLO COc1cccc([C@H]2CN(C(=O)CCCC#N)CC[NH2+]2)c1 ZINC000870154019 770880473 /nfs/dbraw/zinc/88/04/73/770880473.db2.gz WWVXEUTVUKDSEZ-OAHLLOKOSA-N 1 2 287.363 1.862 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)n2cnc3ccccc32)C1 ZINC001031195869 770885455 /nfs/dbraw/zinc/88/54/55/770885455.db2.gz XNYLNWWHAZAVHP-CYBMUJFWSA-N 1 2 296.374 1.421 20 30 CDEDLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1F ZINC000882765706 770896846 /nfs/dbraw/zinc/89/68/46/770896846.db2.gz HQLQCUCVDRPMQH-NSHDSACASA-N 1 2 297.355 1.070 20 30 CDEDLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1F ZINC000882765706 770896847 /nfs/dbraw/zinc/89/68/47/770896847.db2.gz HQLQCUCVDRPMQH-NSHDSACASA-N 1 2 297.355 1.070 20 30 CDEDLO C=C(Br)C[N@@H+](C)CCOCCOC ZINC000379387554 771022257 /nfs/dbraw/zinc/02/22/57/771022257.db2.gz HRILYFUTQSKQLT-UHFFFAOYSA-N 1 2 252.152 1.490 20 30 CDEDLO C=C(Br)C[N@H+](C)CCOCCOC ZINC000379387554 771022266 /nfs/dbraw/zinc/02/22/66/771022266.db2.gz HRILYFUTQSKQLT-UHFFFAOYSA-N 1 2 252.152 1.490 20 30 CDEDLO C=CCC(C)(C)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868556810 771034082 /nfs/dbraw/zinc/03/40/82/771034082.db2.gz VVEFKTKOAWLKSF-WAYWQWQTSA-N 1 2 266.385 1.593 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2cc[nH]c2c1 ZINC001038384854 771043724 /nfs/dbraw/zinc/04/37/24/771043724.db2.gz FELYLUAVSVKVOH-ZDUSSCGKSA-N 1 2 282.347 1.390 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2cc[nH]c2c1 ZINC001038384854 771043728 /nfs/dbraw/zinc/04/37/28/771043728.db2.gz FELYLUAVSVKVOH-ZDUSSCGKSA-N 1 2 282.347 1.390 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCCO2)C1 ZINC001046235751 771054534 /nfs/dbraw/zinc/05/45/34/771054534.db2.gz KHLWPHUHTUNROZ-GXTWGEPZSA-N 1 2 286.803 1.889 20 30 CDEDLO NC(=O)c1cccc(CO[NH+]=C(N)Cc2cccnc2)c1 ZINC000092915580 771061582 /nfs/dbraw/zinc/06/15/82/771061582.db2.gz ROCACLYEYXQTJO-UHFFFAOYSA-N 1 2 284.319 1.212 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1CCC ZINC001017834201 771063132 /nfs/dbraw/zinc/06/31/32/771063132.db2.gz NXCLCVUZAIBHCH-OKILXGFUSA-N 1 2 285.391 1.889 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1CCC ZINC001017834201 771063144 /nfs/dbraw/zinc/06/31/44/771063144.db2.gz NXCLCVUZAIBHCH-OKILXGFUSA-N 1 2 285.391 1.889 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C12CC(c3ccccc3)(C1)C2 ZINC001039059611 771077621 /nfs/dbraw/zinc/07/76/21/771077621.db2.gz GRRLTLFYBLUSCM-IVMQYODDSA-N 1 2 294.398 1.932 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C12CC(c3ccccc3)(C1)C2 ZINC001039059611 771077630 /nfs/dbraw/zinc/07/76/30/771077630.db2.gz GRRLTLFYBLUSCM-IVMQYODDSA-N 1 2 294.398 1.932 20 30 CDEDLO Cc1nc(C[NH2+]C[C@H](C#N)CCC#N)ccc1[C@H](C)O ZINC000843107997 771087083 /nfs/dbraw/zinc/08/70/83/771087083.db2.gz WPKLLFGQRZIPMN-STQMWFEESA-N 1 2 272.352 1.976 20 30 CDEDLO C[NH+]1CCN(C2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000866214311 771094731 /nfs/dbraw/zinc/09/47/31/771094731.db2.gz NDFWPMPAVOPBOZ-UHFFFAOYSA-N 1 2 285.395 1.169 20 30 CDEDLO C[C@H](C#N)N(CN1C[C@@H](c2c[nH+]cn2C)CC1=O)C1CC1 ZINC000853546682 771108617 /nfs/dbraw/zinc/10/86/17/771108617.db2.gz GWQWVKRPLDGZLV-NEPJUHHUSA-N 1 2 287.367 1.070 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H](OC)C1 ZINC001017863831 771119040 /nfs/dbraw/zinc/11/90/40/771119040.db2.gz INHPMMNOFMYVHK-JONQDZQNSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H](OC)C1 ZINC001017863831 771119041 /nfs/dbraw/zinc/11/90/41/771119041.db2.gz INHPMMNOFMYVHK-JONQDZQNSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)ccn1 ZINC001032419836 771198112 /nfs/dbraw/zinc/19/81/12/771198112.db2.gz GTERCWXBJIOVOL-GJZGRUSLSA-N 1 2 283.375 1.566 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)ccn1 ZINC001032419836 771198117 /nfs/dbraw/zinc/19/81/17/771198117.db2.gz GTERCWXBJIOVOL-GJZGRUSLSA-N 1 2 283.375 1.566 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC001038479303 771246474 /nfs/dbraw/zinc/24/64/74/771246474.db2.gz HWSWHHZHOSSNCF-CQSZACIVSA-N 1 2 294.358 1.514 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC001038479303 771246487 /nfs/dbraw/zinc/24/64/87/771246487.db2.gz HWSWHHZHOSSNCF-CQSZACIVSA-N 1 2 294.358 1.514 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2cc(C)ccn21 ZINC001038302313 771253339 /nfs/dbraw/zinc/25/33/39/771253339.db2.gz XRIOZCOUIUFCPB-ZDUSSCGKSA-N 1 2 282.347 1.080 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2cc(C)ccn21 ZINC001038302313 771253342 /nfs/dbraw/zinc/25/33/42/771253342.db2.gz XRIOZCOUIUFCPB-ZDUSSCGKSA-N 1 2 282.347 1.080 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(F)=C(C)C ZINC001032351033 771268823 /nfs/dbraw/zinc/26/88/23/771268823.db2.gz YRNCAHBETUHWDD-RYUDHWBXSA-N 1 2 250.317 1.558 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(F)=C(C)C ZINC001032351033 771268830 /nfs/dbraw/zinc/26/88/30/771268830.db2.gz YRNCAHBETUHWDD-RYUDHWBXSA-N 1 2 250.317 1.558 20 30 CDEDLO C#CC[C@@H](CCOC)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000863780110 771329309 /nfs/dbraw/zinc/32/93/09/771329309.db2.gz XPOHVXZOFFXHAS-RYUDHWBXSA-N 1 2 263.341 1.133 20 30 CDEDLO C#CC[C@@H](CCOC)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000863780110 771329317 /nfs/dbraw/zinc/32/93/17/771329317.db2.gz XPOHVXZOFFXHAS-RYUDHWBXSA-N 1 2 263.341 1.133 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001017725982 771339707 /nfs/dbraw/zinc/33/97/07/771339707.db2.gz DEEVMGVGFNFROB-LXTVHRRPSA-N 1 2 274.408 1.977 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001017725982 771339713 /nfs/dbraw/zinc/33/97/13/771339713.db2.gz DEEVMGVGFNFROB-LXTVHRRPSA-N 1 2 274.408 1.977 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c[nH]nc2-c2ccoc2)C1 ZINC001030728173 771368325 /nfs/dbraw/zinc/36/83/25/771368325.db2.gz KOZTUDRYCAQSJX-UHFFFAOYSA-N 1 2 284.319 1.107 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2c3c[nH]nc3CC[C@H]2C)C1 ZINC001043387016 771382145 /nfs/dbraw/zinc/38/21/45/771382145.db2.gz UTQZMGPUIBWTMH-ABAIWWIYSA-N 1 2 288.395 1.404 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(c2cccnc2)CC1 ZINC001017835802 771387400 /nfs/dbraw/zinc/38/74/00/771387400.db2.gz QVJSOPFOPFSTLN-IYBDPMFKSA-N 1 2 295.386 1.422 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(c2cccnc2)CC1 ZINC001017835802 771387412 /nfs/dbraw/zinc/38/74/12/771387412.db2.gz QVJSOPFOPFSTLN-IYBDPMFKSA-N 1 2 295.386 1.422 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC1(C)C)CO2 ZINC001053900879 771393022 /nfs/dbraw/zinc/39/30/22/771393022.db2.gz WMEIVOAHTZDCBY-UONOGXRCSA-N 1 2 292.423 1.958 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC000923582162 771393640 /nfs/dbraw/zinc/39/36/40/771393640.db2.gz KIDQQPLQLQPMFB-LLVKDONJSA-N 1 2 263.366 1.279 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC000923582162 771393646 /nfs/dbraw/zinc/39/36/46/771393646.db2.gz KIDQQPLQLQPMFB-LLVKDONJSA-N 1 2 263.366 1.279 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)c(C)cn1 ZINC001038533552 771436980 /nfs/dbraw/zinc/43/69/80/771436980.db2.gz UOKLRIYFTSQMJP-CQSZACIVSA-N 1 2 271.364 1.526 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)c(C)cn1 ZINC001038533552 771436981 /nfs/dbraw/zinc/43/69/81/771436981.db2.gz UOKLRIYFTSQMJP-CQSZACIVSA-N 1 2 271.364 1.526 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C1CC1 ZINC001017823313 771465411 /nfs/dbraw/zinc/46/54/11/771465411.db2.gz VZWGVYFPUFENQK-OKILXGFUSA-N 1 2 260.381 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C1CC1 ZINC001017823313 771465418 /nfs/dbraw/zinc/46/54/18/771465418.db2.gz VZWGVYFPUFENQK-OKILXGFUSA-N 1 2 260.381 1.731 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)n2cccn2)C1 ZINC001006787189 771504434 /nfs/dbraw/zinc/50/44/34/771504434.db2.gz GTSYUMDWSHQVGM-CHWSQXEVSA-N 1 2 296.802 1.777 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)n2cccn2)C1 ZINC001006787189 771504442 /nfs/dbraw/zinc/50/44/42/771504442.db2.gz GTSYUMDWSHQVGM-CHWSQXEVSA-N 1 2 296.802 1.777 20 30 CDEDLO C#C[C@H]([NH2+]Cc1nccn1CC(F)(F)F)[C@H]1CCCO1 ZINC000775348122 771515384 /nfs/dbraw/zinc/51/53/84/771515384.db2.gz IXVBTZFCXLPAMK-WDEREUQCSA-N 1 2 287.285 1.716 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1nc(C)c[nH]1 ZINC001051156275 771557803 /nfs/dbraw/zinc/55/78/03/771557803.db2.gz WLDMMMQXQNSDDZ-CYBMUJFWSA-N 1 2 292.383 1.115 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1nc(C)c[nH]1 ZINC001051156275 771557817 /nfs/dbraw/zinc/55/78/17/771557817.db2.gz WLDMMMQXQNSDDZ-CYBMUJFWSA-N 1 2 292.383 1.115 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(Cl)cn2)C1 ZINC001031286886 771586060 /nfs/dbraw/zinc/58/60/60/771586060.db2.gz APRSFRLKDYDTNS-UHFFFAOYSA-N 1 2 263.728 1.172 20 30 CDEDLO C=C(Br)CN1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000189549399 771610218 /nfs/dbraw/zinc/61/02/18/771610218.db2.gz UEABXTJCMDMHHT-WDEREUQCSA-N 1 2 277.206 1.282 20 30 CDEDLO C=C(Br)CN1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000189549399 771610220 /nfs/dbraw/zinc/61/02/20/771610220.db2.gz UEABXTJCMDMHHT-WDEREUQCSA-N 1 2 277.206 1.282 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001017980052 771615969 /nfs/dbraw/zinc/61/59/69/771615969.db2.gz GSKJLDPMPNCURF-JKJDWNRSSA-N 1 2 288.391 1.252 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001017980052 771615986 /nfs/dbraw/zinc/61/59/86/771615986.db2.gz GSKJLDPMPNCURF-JKJDWNRSSA-N 1 2 288.391 1.252 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CC2CCCC2)C1 ZINC000885512691 771686410 /nfs/dbraw/zinc/68/64/10/771686410.db2.gz YABLGPRCEYJIKT-AWEZNQCLSA-N 1 2 284.425 1.194 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CC2CCCC2)C1 ZINC000885512691 771686432 /nfs/dbraw/zinc/68/64/32/771686432.db2.gz YABLGPRCEYJIKT-AWEZNQCLSA-N 1 2 284.425 1.194 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1oc(C)nc1C ZINC001032331403 771686990 /nfs/dbraw/zinc/68/69/90/771686990.db2.gz CCLGVWLIXWMWDA-RYUDHWBXSA-N 1 2 261.325 1.376 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1oc(C)nc1C ZINC001032331403 771687008 /nfs/dbraw/zinc/68/70/08/771687008.db2.gz CCLGVWLIXWMWDA-RYUDHWBXSA-N 1 2 261.325 1.376 20 30 CDEDLO C[C@@H]([NH2+]CCO[C@@H](C)C#N)c1nc(C(C)(C)C)no1 ZINC000801941736 771772509 /nfs/dbraw/zinc/77/25/09/771772509.db2.gz VLGYKABTDHUHDY-VHSXEESVSA-N 1 2 266.345 1.946 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)c3cccn32)C1 ZINC000923561287 771802689 /nfs/dbraw/zinc/80/26/89/771802689.db2.gz XDUYVKKCBYFQFG-HIFRSBDPSA-N 1 2 299.374 1.220 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)c3cccn32)C1 ZINC000923561287 771802691 /nfs/dbraw/zinc/80/26/91/771802691.db2.gz XDUYVKKCBYFQFG-HIFRSBDPSA-N 1 2 299.374 1.220 20 30 CDEDLO C=CC[N@H+](CN1CC(C)(C)OC1=O)[C@H](C)COC ZINC000853533966 771817766 /nfs/dbraw/zinc/81/77/66/771817766.db2.gz FQKRVMCLEZENTB-LLVKDONJSA-N 1 2 256.346 1.698 20 30 CDEDLO C=CC[N@@H+](CN1CC(C)(C)OC1=O)[C@H](C)COC ZINC000853533966 771817767 /nfs/dbraw/zinc/81/77/67/771817767.db2.gz FQKRVMCLEZENTB-LLVKDONJSA-N 1 2 256.346 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001007079918 771831002 /nfs/dbraw/zinc/83/10/02/771831002.db2.gz UXZFAKYFJYUSMV-GFCCVEGCSA-N 1 2 295.770 1.734 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001007079918 771831005 /nfs/dbraw/zinc/83/10/05/771831005.db2.gz UXZFAKYFJYUSMV-GFCCVEGCSA-N 1 2 295.770 1.734 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)cn2ccnc12 ZINC001038550499 771850663 /nfs/dbraw/zinc/85/06/63/771850663.db2.gz NLMXVJAXVYUVJE-CQSZACIVSA-N 1 2 296.374 1.470 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)cn2ccnc12 ZINC001038550499 771850664 /nfs/dbraw/zinc/85/06/64/771850664.db2.gz NLMXVJAXVYUVJE-CQSZACIVSA-N 1 2 296.374 1.470 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001016174084 771850731 /nfs/dbraw/zinc/85/07/31/771850731.db2.gz KLFWNYPWHMKHLA-VIFPVBQESA-N 1 2 268.769 1.839 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001016174084 771850732 /nfs/dbraw/zinc/85/07/32/771850732.db2.gz KLFWNYPWHMKHLA-VIFPVBQESA-N 1 2 268.769 1.839 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)CC ZINC001017808277 771866801 /nfs/dbraw/zinc/86/68/01/771866801.db2.gz ORWKNCNQVZDVMR-FRRDWIJNSA-N 1 2 252.333 1.433 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)CC ZINC001017808277 771866804 /nfs/dbraw/zinc/86/68/04/771866804.db2.gz ORWKNCNQVZDVMR-FRRDWIJNSA-N 1 2 252.333 1.433 20 30 CDEDLO CN(C)c1ncc(C=[NH+]Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000814682688 771868768 /nfs/dbraw/zinc/86/87/68/771868768.db2.gz PRELGALWFNDOBR-UHFFFAOYSA-N 1 2 286.295 1.897 20 30 CDEDLO C=CCC1(O)CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000884723524 771871503 /nfs/dbraw/zinc/87/15/03/771871503.db2.gz OTPADPMNPBQQKG-UHFFFAOYSA-N 1 2 288.395 1.984 20 30 CDEDLO C=CCC1(O)CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000884723524 771871505 /nfs/dbraw/zinc/87/15/05/771871505.db2.gz OTPADPMNPBQQKG-UHFFFAOYSA-N 1 2 288.395 1.984 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)C(C)(C)[C@H]2CCCCO2)C1 ZINC001042734835 771873812 /nfs/dbraw/zinc/87/38/12/771873812.db2.gz DJKWVSYSYGQTTL-OAHLLOKOSA-N 1 2 292.423 1.748 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](C[C@H](O)COCc2ccco2)C1 ZINC000932161870 771874307 /nfs/dbraw/zinc/87/43/07/771874307.db2.gz NXTPFNPMNFZUQY-OLZOCXBDSA-N 1 2 264.325 1.393 20 30 CDEDLO N#C[C@H]1CCC[N@H+](C[C@H](O)COCc2ccco2)C1 ZINC000932161870 771874309 /nfs/dbraw/zinc/87/43/09/771874309.db2.gz NXTPFNPMNFZUQY-OLZOCXBDSA-N 1 2 264.325 1.393 20 30 CDEDLO CC#CC[C@@H](CO)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000823728472 771898622 /nfs/dbraw/zinc/89/86/22/771898622.db2.gz MRTBIGWPRRFZRV-NSHDSACASA-N 1 2 257.293 1.067 20 30 CDEDLO N#CCc1ccc(N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)cc1 ZINC000804200493 771908589 /nfs/dbraw/zinc/90/85/89/771908589.db2.gz KSPSXJUDUAQBGN-ZDUSSCGKSA-N 1 2 295.302 1.143 20 30 CDEDLO N#C[C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000928223676 771917505 /nfs/dbraw/zinc/91/75/05/771917505.db2.gz PYZCLSJMEDRLNH-NEPJUHHUSA-N 1 2 258.325 1.208 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2coc(-c3cccnc3)n2)C1 ZINC001030614740 771935218 /nfs/dbraw/zinc/93/52/18/771935218.db2.gz PVHCEJMPYCLZOL-UHFFFAOYSA-N 1 2 298.346 1.727 20 30 CDEDLO C#CC[C@@H]([NH2+][C@H](C)CC1CCOCC1)C(=O)OC ZINC000839169487 771972883 /nfs/dbraw/zinc/97/28/83/771972883.db2.gz SJPJDAPPFBPEPO-DGCLKSJQSA-N 1 2 253.342 1.346 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cncc(CC)c2)C1 ZINC001030682141 771980986 /nfs/dbraw/zinc/98/09/86/771980986.db2.gz IZMQJOFTEYPXJJ-UHFFFAOYSA-N 1 2 257.337 1.081 20 30 CDEDLO C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)c3ncn[nH]3)cc2C1 ZINC001054286208 771989367 /nfs/dbraw/zinc/98/93/67/771989367.db2.gz ZMBJSFCIALVDOM-UHFFFAOYSA-N 1 2 297.362 1.626 20 30 CDEDLO C=C(C)C[N@H+]1Cc2ccc(CNC(=O)c3nc[nH]n3)cc2C1 ZINC001054286208 771989399 /nfs/dbraw/zinc/98/93/99/771989399.db2.gz ZMBJSFCIALVDOM-UHFFFAOYSA-N 1 2 297.362 1.626 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CNC(=O)C1CC1 ZINC001037979738 771992496 /nfs/dbraw/zinc/99/24/96/771992496.db2.gz FOBFAKLRMAKVRV-OAHLLOKOSA-N 1 2 299.374 1.667 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CNC(=O)C1CC1 ZINC001037979738 771992506 /nfs/dbraw/zinc/99/25/06/771992506.db2.gz FOBFAKLRMAKVRV-OAHLLOKOSA-N 1 2 299.374 1.667 20 30 CDEDLO C#C[C@H]([NH2+]Cc1cn(-c2ccccc2C)nn1)[C@@H]1CCCO1 ZINC000808407458 772061552 /nfs/dbraw/zinc/06/15/52/772061552.db2.gz ZFXBSDPXDNRMPO-RDJZCZTQSA-N 1 2 296.374 1.846 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccoc1CCC ZINC001038926463 772194956 /nfs/dbraw/zinc/19/49/56/772194956.db2.gz OTEOVBDGRUMGTC-LBPRGKRZSA-N 1 2 260.337 1.669 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccoc1CCC ZINC001038926463 772194966 /nfs/dbraw/zinc/19/49/66/772194966.db2.gz OTEOVBDGRUMGTC-LBPRGKRZSA-N 1 2 260.337 1.669 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1cccc(F)c1 ZINC001032791650 772225010 /nfs/dbraw/zinc/22/50/10/772225010.db2.gz CNKKNDNXCCNRQP-KCXAZCMYSA-N 1 2 286.350 1.848 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1cccc(F)c1 ZINC001032791650 772225019 /nfs/dbraw/zinc/22/50/19/772225019.db2.gz CNKKNDNXCCNRQP-KCXAZCMYSA-N 1 2 286.350 1.848 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)[nH]nc1Cl ZINC001032439922 772255597 /nfs/dbraw/zinc/25/55/97/772255597.db2.gz OLINZVNMFKZFFA-QWRGUYRKSA-N 1 2 292.770 1.294 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)[nH]nc1Cl ZINC001032439922 772255606 /nfs/dbraw/zinc/25/56/06/772255606.db2.gz OLINZVNMFKZFFA-QWRGUYRKSA-N 1 2 292.770 1.294 20 30 CDEDLO N#Cc1cccn(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1=O ZINC000793747368 772310683 /nfs/dbraw/zinc/31/06/83/772310683.db2.gz PFRFHMXHVXYKRT-HNNXBMFYSA-N 1 2 287.363 1.426 20 30 CDEDLO N#Cc1cccn(C[N@H+]2CCOC[C@@H](C3CCC3)C2)c1=O ZINC000793747368 772310691 /nfs/dbraw/zinc/31/06/91/772310691.db2.gz PFRFHMXHVXYKRT-HNNXBMFYSA-N 1 2 287.363 1.426 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CCOC2)C1 ZINC001033366675 772329990 /nfs/dbraw/zinc/32/99/90/772329990.db2.gz YMXUFSROQFLEBH-YPMHNXCESA-N 1 2 290.766 1.400 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CCOC2)C1 ZINC001033366675 772329994 /nfs/dbraw/zinc/32/99/94/772329994.db2.gz YMXUFSROQFLEBH-YPMHNXCESA-N 1 2 290.766 1.400 20 30 CDEDLO C#CC[C@@H]([NH2+]Cc1nccc(N)n1)c1ccccc1 ZINC000775400077 772372944 /nfs/dbraw/zinc/37/29/44/772372944.db2.gz WQCKJFHCYCRZCF-CYBMUJFWSA-N 1 2 252.321 1.913 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cccc(OCC)c1 ZINC000884070753 772465919 /nfs/dbraw/zinc/46/59/19/772465919.db2.gz WZBKJDRWMNAIKD-ZDUSSCGKSA-N 1 2 292.335 1.470 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncn(-c2ccccc2)n1 ZINC001038378794 772496427 /nfs/dbraw/zinc/49/64/27/772496427.db2.gz DHHAAUUQGAXAKD-CQSZACIVSA-N 1 2 297.362 1.257 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ncn(-c2ccccc2)n1 ZINC001038378794 772496430 /nfs/dbraw/zinc/49/64/30/772496430.db2.gz DHHAAUUQGAXAKD-CQSZACIVSA-N 1 2 297.362 1.257 20 30 CDEDLO COC[C@@H](C#N)OC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848783060 772498783 /nfs/dbraw/zinc/49/87/83/772498783.db2.gz QQHQDHNEBTYHOH-LLVKDONJSA-N 1 2 259.265 1.338 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2c(cccc2C)O1 ZINC001038921594 772506435 /nfs/dbraw/zinc/50/64/35/772506435.db2.gz SUEOKAXBLQZBCR-CJNGLKHVSA-N 1 2 284.359 1.122 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2c(cccc2C)O1 ZINC001038921594 772506441 /nfs/dbraw/zinc/50/64/41/772506441.db2.gz SUEOKAXBLQZBCR-CJNGLKHVSA-N 1 2 284.359 1.122 20 30 CDEDLO O=C(C#Cc1ccc2c(c1)OCO2)OCCCn1cc[nH+]c1 ZINC000784139409 772517610 /nfs/dbraw/zinc/51/76/10/772517610.db2.gz VSSCHWUGSKFQQO-UHFFFAOYSA-N 1 2 298.298 1.597 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc2[nH]ccc21 ZINC001032499102 772524115 /nfs/dbraw/zinc/52/41/15/772524115.db2.gz MSLCVOKEMXWUCX-RYUDHWBXSA-N 1 2 280.331 1.095 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc2[nH]ccc21 ZINC001032499102 772524123 /nfs/dbraw/zinc/52/41/23/772524123.db2.gz MSLCVOKEMXWUCX-RYUDHWBXSA-N 1 2 280.331 1.095 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)[C@H]1CCCO1 ZINC001018214156 772543007 /nfs/dbraw/zinc/54/30/07/772543007.db2.gz BATRDJRJTUIWQN-LVQVYYBASA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)[C@H]1CCCO1 ZINC001018214156 772543018 /nfs/dbraw/zinc/54/30/18/772543018.db2.gz BATRDJRJTUIWQN-LVQVYYBASA-N 1 2 290.407 1.500 20 30 CDEDLO C#CCCCCNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000125280954 772585279 /nfs/dbraw/zinc/58/52/79/772585279.db2.gz JDUVKTQIGPKKGH-ZIAGYGMSSA-N 1 2 281.400 1.198 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(C)cs2)C1 ZINC001035368494 772586203 /nfs/dbraw/zinc/58/62/03/772586203.db2.gz PUPRDPXAQKCSES-GFCCVEGCSA-N 1 2 280.393 1.673 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)cs2)C1 ZINC001035368494 772586201 /nfs/dbraw/zinc/58/62/01/772586201.db2.gz PUPRDPXAQKCSES-GFCCVEGCSA-N 1 2 280.393 1.673 20 30 CDEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000591010464 772597422 /nfs/dbraw/zinc/59/74/22/772597422.db2.gz BRGCMZFDBQHHIV-AWEZNQCLSA-N 1 2 278.400 1.902 20 30 CDEDLO C=CCOc1ccc(C(=O)NC2C[NH+](CCCO)C2)cc1 ZINC001030541243 772602844 /nfs/dbraw/zinc/60/28/44/772602844.db2.gz IXYWJAOBYGIAJP-UHFFFAOYSA-N 1 2 290.363 1.048 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C)o1 ZINC001050805458 772611958 /nfs/dbraw/zinc/61/19/58/772611958.db2.gz LOPZCIPTRXEDIM-AWEZNQCLSA-N 1 2 292.379 1.985 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C)o1 ZINC001050805458 772611963 /nfs/dbraw/zinc/61/19/63/772611963.db2.gz LOPZCIPTRXEDIM-AWEZNQCLSA-N 1 2 292.379 1.985 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC000985749382 772614394 /nfs/dbraw/zinc/61/43/94/772614394.db2.gz WFBNYCCIXHNNFO-UHFFFAOYSA-N 1 2 297.790 1.023 20 30 CDEDLO C=C(Cl)C[N@H+](C)C1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC000985749382 772614397 /nfs/dbraw/zinc/61/43/97/772614397.db2.gz WFBNYCCIXHNNFO-UHFFFAOYSA-N 1 2 297.790 1.023 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001050911543 772633783 /nfs/dbraw/zinc/63/37/83/772633783.db2.gz SXOXCHQISIWICE-MNOVXSKESA-N 1 2 274.311 1.035 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001050911543 772633788 /nfs/dbraw/zinc/63/37/88/772633788.db2.gz SXOXCHQISIWICE-MNOVXSKESA-N 1 2 274.311 1.035 20 30 CDEDLO N#CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000931174912 772640108 /nfs/dbraw/zinc/64/01/08/772640108.db2.gz XSVIYQOOWLGLIF-UHFFFAOYSA-N 1 2 254.293 1.939 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2csnc2C)C1 ZINC001035335189 772654094 /nfs/dbraw/zinc/65/40/94/772654094.db2.gz ZHTNDASUNDJPPY-LBPRGKRZSA-N 1 2 295.408 1.458 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2csnc2C)C1 ZINC001035335189 772654101 /nfs/dbraw/zinc/65/41/01/772654101.db2.gz ZHTNDASUNDJPPY-LBPRGKRZSA-N 1 2 295.408 1.458 20 30 CDEDLO N#Cc1cccc(C(=O)OCC2CN(c3cccc[nH+]3)C2)n1 ZINC000842885097 772679470 /nfs/dbraw/zinc/67/94/70/772679470.db2.gz YUUJVXUTPRQGJT-UHFFFAOYSA-N 1 2 294.314 1.641 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C1 ZINC001031063414 772682304 /nfs/dbraw/zinc/68/23/04/772682304.db2.gz UDUITYFESMCMJP-IXDOHACOSA-N 1 2 282.387 1.949 20 30 CDEDLO N#Cc1sc(NC2CC[NH+](CC(N)=O)CC2)nc1Cl ZINC000236164065 772682538 /nfs/dbraw/zinc/68/25/38/772682538.db2.gz VYIWCROBZNPLQW-UHFFFAOYSA-N 1 2 299.787 1.030 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(F)CCOCC1 ZINC001017607769 772684218 /nfs/dbraw/zinc/68/42/18/772684218.db2.gz FBNLSALHADBQJV-BETUJISGSA-N 1 2 282.359 1.366 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(F)CCOCC1 ZINC001017607769 772684220 /nfs/dbraw/zinc/68/42/20/772684220.db2.gz FBNLSALHADBQJV-BETUJISGSA-N 1 2 282.359 1.366 20 30 CDEDLO Cc1cc(C[N@H+]2CCCN(C(=O)[C@@H](C)C#N)CC2)sn1 ZINC000980850811 772696087 /nfs/dbraw/zinc/69/60/87/772696087.db2.gz XETPDGUZRRKBPF-NSHDSACASA-N 1 2 292.408 1.646 20 30 CDEDLO Cc1cc(C[N@@H+]2CCCN(C(=O)[C@@H](C)C#N)CC2)sn1 ZINC000980850811 772696091 /nfs/dbraw/zinc/69/60/91/772696091.db2.gz XETPDGUZRRKBPF-NSHDSACASA-N 1 2 292.408 1.646 20 30 CDEDLO CC1(C)OCC[C@@H]1NN=Cc1cccc2[nH+]ccn21 ZINC000835016992 772698535 /nfs/dbraw/zinc/69/85/35/772698535.db2.gz JHWYEXFYGMBESP-LBPRGKRZSA-N 1 2 258.325 1.825 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2c(C)noc2C)CC1 ZINC000101559868 772704785 /nfs/dbraw/zinc/70/47/85/772704785.db2.gz WMUHHANREURMGG-UHFFFAOYSA-N 1 2 263.341 1.164 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1C[C@@H]1C)CCO2 ZINC001053411571 772734640 /nfs/dbraw/zinc/73/46/40/772734640.db2.gz LASWKDCNLUTNNS-KBPBESRZSA-N 1 2 278.396 1.522 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ncoc2C)C1 ZINC001032948185 772735559 /nfs/dbraw/zinc/73/55/59/772735559.db2.gz LRKSKCQWURSBMI-LLVKDONJSA-N 1 2 283.759 1.882 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ncoc2C)C1 ZINC001032948185 772735562 /nfs/dbraw/zinc/73/55/62/772735562.db2.gz LRKSKCQWURSBMI-LLVKDONJSA-N 1 2 283.759 1.882 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1OCCc2ccccc21 ZINC001038577831 772740053 /nfs/dbraw/zinc/74/00/53/772740053.db2.gz FDXUVDPYTZCPOL-HOCLYGCPSA-N 1 2 284.359 1.124 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1OCCc2ccccc21 ZINC001038577831 772740058 /nfs/dbraw/zinc/74/00/58/772740058.db2.gz FDXUVDPYTZCPOL-HOCLYGCPSA-N 1 2 284.359 1.124 20 30 CDEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(CO)(CO)CC1 ZINC000879968876 772783095 /nfs/dbraw/zinc/78/30/95/772783095.db2.gz ZOQNBYRQUVJSKZ-UHFFFAOYSA-N 1 2 278.327 1.264 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(F)c1F ZINC001038647971 772789549 /nfs/dbraw/zinc/78/95/49/772789549.db2.gz ZEVOZWWJNGFYRD-LLVKDONJSA-N 1 2 278.302 1.792 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(F)c1F ZINC001038647971 772789555 /nfs/dbraw/zinc/78/95/55/772789555.db2.gz ZEVOZWWJNGFYRD-LLVKDONJSA-N 1 2 278.302 1.792 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)c1cccc(C)c1 ZINC000884068647 772806120 /nfs/dbraw/zinc/80/61/20/772806120.db2.gz ZTCKRJLFMJXFFC-AWEZNQCLSA-N 1 2 290.363 1.795 20 30 CDEDLO C#CC[C@H]1CCN(c2cc(NC[C@@H](C)O)[nH+]cn2)C1 ZINC000884594202 772829192 /nfs/dbraw/zinc/82/91/92/772829192.db2.gz BWMBCANLHISJPR-NEPJUHHUSA-N 1 2 260.341 1.119 20 30 CDEDLO C#CC[C@H]1CCN(c2cc(NC[C@@H](C)O)nc[nH+]2)C1 ZINC000884594202 772829193 /nfs/dbraw/zinc/82/91/93/772829193.db2.gz BWMBCANLHISJPR-NEPJUHHUSA-N 1 2 260.341 1.119 20 30 CDEDLO C=C(C)C[C@@H](CO)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000882902616 772832859 /nfs/dbraw/zinc/83/28/59/772832859.db2.gz KKLQQZUDUCTURI-NEPJUHHUSA-N 1 2 251.330 1.278 20 30 CDEDLO c1ccc(N2CCC(N=Nc3ccncc3)CC2)[nH+]c1 ZINC000779809311 772838080 /nfs/dbraw/zinc/83/80/80/772838080.db2.gz WJHUBUNVTUHAJR-UHFFFAOYSA-N 1 2 267.336 1.967 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001032991437 772843886 /nfs/dbraw/zinc/84/38/86/772843886.db2.gz KYCAFRXCXGRAEB-GFCCVEGCSA-N 1 2 292.770 1.785 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001032991437 772843890 /nfs/dbraw/zinc/84/38/90/772843890.db2.gz KYCAFRXCXGRAEB-GFCCVEGCSA-N 1 2 292.770 1.785 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CCNc1cnccc1C#N ZINC000872772050 772844889 /nfs/dbraw/zinc/84/48/89/772844889.db2.gz OOHLHWJYHNWBQO-ZDUSSCGKSA-N 1 2 260.341 1.476 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CCNc1cnccc1C#N ZINC000872772050 772844890 /nfs/dbraw/zinc/84/48/90/772844890.db2.gz OOHLHWJYHNWBQO-ZDUSSCGKSA-N 1 2 260.341 1.476 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(C)n2)C1 ZINC001035298590 772850399 /nfs/dbraw/zinc/85/03/99/772850399.db2.gz JRJZHRARZIOQPY-ZDUSSCGKSA-N 1 2 275.352 1.007 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cccc(C)n2)C1 ZINC001035298590 772850404 /nfs/dbraw/zinc/85/04/04/772850404.db2.gz JRJZHRARZIOQPY-ZDUSSCGKSA-N 1 2 275.352 1.007 20 30 CDEDLO C=CC[N@H+](CN1CCC2(CCC2)C1=O)[C@H](C)COC ZINC000872624365 772864339 /nfs/dbraw/zinc/86/43/39/772864339.db2.gz MPHQKTXWTHECIW-CYBMUJFWSA-N 1 2 266.385 1.869 20 30 CDEDLO C=CC[N@@H+](CN1CCC2(CCC2)C1=O)[C@H](C)COC ZINC000872624365 772864340 /nfs/dbraw/zinc/86/43/40/772864340.db2.gz MPHQKTXWTHECIW-CYBMUJFWSA-N 1 2 266.385 1.869 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[C@@H]1C)O2 ZINC001053644899 772865968 /nfs/dbraw/zinc/86/59/68/772865968.db2.gz OMULTTFXPGIVED-XQQFMLRXSA-N 1 2 264.369 1.178 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncc2ccccn21 ZINC001038515398 772890347 /nfs/dbraw/zinc/89/03/47/772890347.db2.gz CKNRAUNKCSIZMZ-ZDUSSCGKSA-N 1 2 282.347 1.162 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ncc2ccccn21 ZINC001038515398 772890350 /nfs/dbraw/zinc/89/03/50/772890350.db2.gz CKNRAUNKCSIZMZ-ZDUSSCGKSA-N 1 2 282.347 1.162 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001035455000 772910625 /nfs/dbraw/zinc/91/06/25/772910625.db2.gz CZKJSPWXHWDSFU-UMVBOHGHSA-N 1 2 264.369 1.180 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001035455000 772910630 /nfs/dbraw/zinc/91/06/30/772910630.db2.gz CZKJSPWXHWDSFU-UMVBOHGHSA-N 1 2 264.369 1.180 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000822888437 772922971 /nfs/dbraw/zinc/92/29/71/772922971.db2.gz UFIYZMSWODXOBB-OCCSQVGLSA-N 1 2 290.363 1.914 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001038671711 772954895 /nfs/dbraw/zinc/95/48/95/772954895.db2.gz WGCKUIJFBJRUMU-SECBINFHSA-N 1 2 251.717 1.105 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001038671711 772954897 /nfs/dbraw/zinc/95/48/97/772954897.db2.gz WGCKUIJFBJRUMU-SECBINFHSA-N 1 2 251.717 1.105 20 30 CDEDLO CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCN(CC#N)C1 ZINC001033874626 772980062 /nfs/dbraw/zinc/98/00/62/772980062.db2.gz CKHHSFKEYVOVBB-CYBMUJFWSA-N 1 2 297.362 1.623 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1CC(C)C ZINC001032428452 772980689 /nfs/dbraw/zinc/98/06/89/772980689.db2.gz RJJNTDBNSXPBKH-KBPBESRZSA-N 1 2 286.379 1.071 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1CC(C)C ZINC001032428452 772980699 /nfs/dbraw/zinc/98/06/99/772980699.db2.gz RJJNTDBNSXPBKH-KBPBESRZSA-N 1 2 286.379 1.071 20 30 CDEDLO NC(=[NH+]OCC(=O)NCc1ccco1)c1ccc(F)cc1 ZINC000198441806 772985443 /nfs/dbraw/zinc/98/54/43/772985443.db2.gz WRLKYXCUINCPAJ-UHFFFAOYSA-N 1 2 291.282 1.372 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C2(c3ccccc3)CCC2)C1 ZINC001030639462 772993707 /nfs/dbraw/zinc/99/37/07/772993707.db2.gz DZZNUJNMQPHVSN-UHFFFAOYSA-N 1 2 282.387 1.932 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2ccn(CC)n2)C1 ZINC001042749707 772997961 /nfs/dbraw/zinc/99/79/61/772997961.db2.gz BTXNRFRUGQTANT-UHFFFAOYSA-N 1 2 276.384 1.164 20 30 CDEDLO C=CCOCCCC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800175233 773032591 /nfs/dbraw/zinc/03/25/91/773032591.db2.gz KFBBGYVPYLMGPY-CYBMUJFWSA-N 1 2 271.357 1.233 20 30 CDEDLO C=CCOCCCC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800175233 773032594 /nfs/dbraw/zinc/03/25/94/773032594.db2.gz KFBBGYVPYLMGPY-CYBMUJFWSA-N 1 2 271.357 1.233 20 30 CDEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@@](C)(C(C)(C)C)C1=O ZINC000193331016 773040783 /nfs/dbraw/zinc/04/07/83/773040783.db2.gz UBRPFVFQPSFIHG-CQSZACIVSA-N 1 2 267.373 1.808 20 30 CDEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@@](C)(C(C)(C)C)C1=O ZINC000193331016 773040787 /nfs/dbraw/zinc/04/07/87/773040787.db2.gz UBRPFVFQPSFIHG-CQSZACIVSA-N 1 2 267.373 1.808 20 30 CDEDLO C=C(Br)CN1CC[NH+](CCOCC)CC1 ZINC000105913030 773059028 /nfs/dbraw/zinc/05/90/28/773059028.db2.gz YZUFMDXTUAPIEE-UHFFFAOYSA-N 1 2 277.206 1.549 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccccn2)no1 ZINC001038863983 773289264 /nfs/dbraw/zinc/28/92/64/773289264.db2.gz GLPSPJZYXZORDR-GFCCVEGCSA-N 1 2 298.346 1.727 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccccn2)no1 ZINC001038863983 773289278 /nfs/dbraw/zinc/28/92/78/773289278.db2.gz GLPSPJZYXZORDR-GFCCVEGCSA-N 1 2 298.346 1.727 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)noc1C(C)C ZINC001038359054 773318893 /nfs/dbraw/zinc/31/88/93/773318893.db2.gz FABGRQCDRWRQKI-CYBMUJFWSA-N 1 2 289.379 1.934 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)noc1C(C)C ZINC001038359054 773318902 /nfs/dbraw/zinc/31/89/02/773318902.db2.gz FABGRQCDRWRQKI-CYBMUJFWSA-N 1 2 289.379 1.934 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1CCC2(CC2)CC1 ZINC000884463481 773331802 /nfs/dbraw/zinc/33/18/02/773331802.db2.gz IMRJCLJLCZSBQF-ZDUSSCGKSA-N 1 2 294.395 1.520 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)[C@@H]2CCCO2)C1 ZINC001030920519 773362347 /nfs/dbraw/zinc/36/23/47/773362347.db2.gz SQEUNBYYIOMPBM-AAEUAGOBSA-N 1 2 252.358 1.178 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001016443671 773392292 /nfs/dbraw/zinc/39/22/92/773392292.db2.gz OPDJBQBYGUJTKA-AAEUAGOBSA-N 1 2 296.802 1.467 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001016443671 773392299 /nfs/dbraw/zinc/39/22/99/773392299.db2.gz OPDJBQBYGUJTKA-AAEUAGOBSA-N 1 2 296.802 1.467 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH]nc2C)C1 ZINC001033307562 773398030 /nfs/dbraw/zinc/39/80/30/773398030.db2.gz AZWNBBRQVXZYBA-LLVKDONJSA-N 1 2 282.775 1.617 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]nc2C)C1 ZINC001033307562 773398038 /nfs/dbraw/zinc/39/80/38/773398038.db2.gz AZWNBBRQVXZYBA-LLVKDONJSA-N 1 2 282.775 1.617 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccncc1 ZINC001032250596 773416373 /nfs/dbraw/zinc/41/63/73/773416373.db2.gz DBPIBXAZGWYNCH-KBPBESRZSA-N 1 2 255.321 1.004 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccncc1 ZINC001032250596 773416401 /nfs/dbraw/zinc/41/64/01/773416401.db2.gz DBPIBXAZGWYNCH-KBPBESRZSA-N 1 2 255.321 1.004 20 30 CDEDLO C[C@@H]1C[N@H+](CCOC(=O)Cc2ccc(C#N)cc2)CCO1 ZINC000800158049 773500668 /nfs/dbraw/zinc/50/06/68/773500668.db2.gz MLQITXCERCNQPW-CYBMUJFWSA-N 1 2 288.347 1.365 20 30 CDEDLO C[C@@H]1C[N@@H+](CCOC(=O)Cc2ccc(C#N)cc2)CCO1 ZINC000800158049 773500684 /nfs/dbraw/zinc/50/06/84/773500684.db2.gz MLQITXCERCNQPW-CYBMUJFWSA-N 1 2 288.347 1.365 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2ccccc2n1 ZINC001032747960 773727515 /nfs/dbraw/zinc/72/75/15/773727515.db2.gz RWYQRAHXOXCLPM-GJZGRUSLSA-N 1 2 291.354 1.767 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2ccccc2n1 ZINC001032747960 773727523 /nfs/dbraw/zinc/72/75/23/773727523.db2.gz RWYQRAHXOXCLPM-GJZGRUSLSA-N 1 2 291.354 1.767 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C1CC1 ZINC001233529379 912852482 /nfs/dbraw/zinc/85/24/82/912852482.db2.gz KVWDZAWNLIYHEO-UKRRQHHQSA-N 1 2 278.396 1.215 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C1CC1 ZINC001233529379 912852500 /nfs/dbraw/zinc/85/25/00/912852500.db2.gz KVWDZAWNLIYHEO-UKRRQHHQSA-N 1 2 278.396 1.215 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cc[nH]n2)C1=O ZINC001272538210 913394320 /nfs/dbraw/zinc/39/43/20/913394320.db2.gz ONVDDGJNMCYDIL-CQSZACIVSA-N 1 2 260.341 1.163 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cc[nH]n2)C1=O ZINC001272538210 913394335 /nfs/dbraw/zinc/39/43/35/913394335.db2.gz ONVDDGJNMCYDIL-CQSZACIVSA-N 1 2 260.341 1.163 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cn(C)nc2C(C)(C)C)C1 ZINC001031114233 913641711 /nfs/dbraw/zinc/64/17/11/913641711.db2.gz KXKZCTQQXLDCIJ-UHFFFAOYSA-N 1 2 288.395 1.155 20 30 CDEDLO N#CCC[N@H+](CCCC1OCCO1)Cc1cccnc1 ZINC001209303445 894594499 /nfs/dbraw/zinc/59/44/99/894594499.db2.gz JUTUXHIAMDWSOX-UHFFFAOYSA-N 1 2 275.352 1.950 20 30 CDEDLO N#CCC[N@@H+](CCCC1OCCO1)Cc1cccnc1 ZINC001209303445 894594508 /nfs/dbraw/zinc/59/45/08/894594508.db2.gz JUTUXHIAMDWSOX-UHFFFAOYSA-N 1 2 275.352 1.950 20 30 CDEDLO N#Cc1ccc([N+](=O)[O-])c(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC001167126198 894660867 /nfs/dbraw/zinc/66/08/67/894660867.db2.gz SHLZLBFCAJYKGI-UHFFFAOYSA-N 1 2 298.306 1.899 20 30 CDEDLO C#CCOCCC(=O)N[C@H](C)CCNc1cc[nH+]c(C)n1 ZINC001106441863 913929319 /nfs/dbraw/zinc/92/93/19/913929319.db2.gz GNSHEKJCPVSWJH-GFCCVEGCSA-N 1 2 290.367 1.132 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc2n(n1)CCCC2 ZINC001480877834 895080058 /nfs/dbraw/zinc/08/00/58/895080058.db2.gz JTZHNTBZMNWSEQ-UHFFFAOYSA-N 1 2 296.802 1.634 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc2n(n1)CCCC2 ZINC001480877834 895080076 /nfs/dbraw/zinc/08/00/76/895080076.db2.gz JTZHNTBZMNWSEQ-UHFFFAOYSA-N 1 2 296.802 1.634 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)cn1 ZINC001140545352 896716529 /nfs/dbraw/zinc/71/65/29/896716529.db2.gz AOEYTIKPHGHHHH-CQSZACIVSA-N 1 2 272.308 1.028 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)cn1 ZINC001140545352 896716541 /nfs/dbraw/zinc/71/65/41/896716541.db2.gz AOEYTIKPHGHHHH-CQSZACIVSA-N 1 2 272.308 1.028 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCCc1[nH+]ccn1C)OCC ZINC001350488950 897199272 /nfs/dbraw/zinc/19/92/72/897199272.db2.gz PWRQHQNJPJRFJS-LBPRGKRZSA-N 1 2 265.357 1.450 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(CCC)cc2)[C@@H](O)C1 ZINC001083738820 914271203 /nfs/dbraw/zinc/27/12/03/914271203.db2.gz ZHCMQAINSWKVHN-CVEARBPZSA-N 1 2 286.375 1.047 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(CCC)cc2)[C@@H](O)C1 ZINC001083738820 914271217 /nfs/dbraw/zinc/27/12/17/914271217.db2.gz ZHCMQAINSWKVHN-CVEARBPZSA-N 1 2 286.375 1.047 20 30 CDEDLO Cc1nc(NC[C@@H](CC(C)C)NC(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001104934106 899683098 /nfs/dbraw/zinc/68/30/98/899683098.db2.gz OJRXOFVGVYTBRR-WCQYABFASA-N 1 2 289.383 1.888 20 30 CDEDLO C[C@H](C#N)N(C)C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176966037 914406081 /nfs/dbraw/zinc/40/60/81/914406081.db2.gz WLGFHTXEULOZJK-CHWSQXEVSA-N 1 2 272.352 1.668 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCC(=C)C)C[C@@H]21 ZINC001177023599 914436788 /nfs/dbraw/zinc/43/67/88/914436788.db2.gz AENNHIXNZSDJBY-JKSUJKDBSA-N 1 2 290.407 1.668 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCC(=C)C)C[C@@H]21 ZINC001177023599 914436797 /nfs/dbraw/zinc/43/67/97/914436797.db2.gz AENNHIXNZSDJBY-JKSUJKDBSA-N 1 2 290.407 1.668 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cn[nH]n2)C1 ZINC001481401469 900563190 /nfs/dbraw/zinc/56/31/90/900563190.db2.gz NXWVPYNVJRMSJS-NSHDSACASA-N 1 2 297.790 1.484 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cn[nH]n2)C1 ZINC001481401469 900563200 /nfs/dbraw/zinc/56/32/00/900563200.db2.gz NXWVPYNVJRMSJS-NSHDSACASA-N 1 2 297.790 1.484 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2OCc3ccccc32)C1 ZINC001031323197 914500799 /nfs/dbraw/zinc/50/07/99/914500799.db2.gz WLRNHMUCKGLYJE-OAHLLOKOSA-N 1 2 272.348 1.634 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@H+](Cc1ccon1)C2 ZINC000981669322 901363404 /nfs/dbraw/zinc/36/34/04/901363404.db2.gz LRBRIFSWZYKMRY-GFCCVEGCSA-N 1 2 288.351 1.259 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](Cc1ccon1)C2 ZINC000981669322 901363412 /nfs/dbraw/zinc/36/34/12/901363412.db2.gz LRBRIFSWZYKMRY-GFCCVEGCSA-N 1 2 288.351 1.259 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CO/C(=N\O)c2ccc(Cl)cc2)C1 ZINC001223594244 901743190 /nfs/dbraw/zinc/74/31/90/901743190.db2.gz VPRQCCNVPHPNFI-GMXMXKFQSA-N 1 2 284.743 1.823 20 30 CDEDLO C[N@H+]1CCO[C@@H](CO/C(=N\O)c2ccc(Cl)cc2)C1 ZINC001223594244 901743194 /nfs/dbraw/zinc/74/31/94/901743194.db2.gz VPRQCCNVPHPNFI-GMXMXKFQSA-N 1 2 284.743 1.823 20 30 CDEDLO Cc1nc(N(C)CCN(C)C(=O)[C@H](C)C#N)c(C)c(C)[nH+]1 ZINC001105372118 902707985 /nfs/dbraw/zinc/70/79/85/902707985.db2.gz UCMMOBZDKGIWHR-SNVBAGLBSA-N 1 2 289.383 1.456 20 30 CDEDLO C#CC1(NC(=O)CN(C)c2cccc[nH+]2)CCCCC1 ZINC001177417087 914673030 /nfs/dbraw/zinc/67/30/30/914673030.db2.gz KUIIVFIADMISPI-UHFFFAOYSA-N 1 2 271.364 1.970 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C(C)(F)F)C1 ZINC001567822353 1168996896 /nfs/dbraw/zinc/99/68/96/1168996896.db2.gz KHXCTHZLIXEASH-UHFFFAOYSA-N 1 2 252.692 1.442 20 30 CDEDLO C#Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccco2)ccn1 ZINC001177612395 914796710 /nfs/dbraw/zinc/79/67/10/914796710.db2.gz CFEXECLUUYNFGL-INIZCTEOSA-N 1 2 295.342 1.681 20 30 CDEDLO C#Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccco2)ccn1 ZINC001177612395 914796719 /nfs/dbraw/zinc/79/67/19/914796719.db2.gz CFEXECLUUYNFGL-INIZCTEOSA-N 1 2 295.342 1.681 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncccc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226054269 904709921 /nfs/dbraw/zinc/70/99/21/904709921.db2.gz IWVARPTZAQPTQA-ZQLNZSQWSA-N 1 2 250.273 1.212 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncccc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226054269 904709928 /nfs/dbraw/zinc/70/99/28/904709928.db2.gz IWVARPTZAQPTQA-ZQLNZSQWSA-N 1 2 250.273 1.212 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001128245686 921227412 /nfs/dbraw/zinc/22/74/12/921227412.db2.gz GGOCUDFZAAKYRR-JTQLQIEISA-N 1 2 282.413 1.907 20 30 CDEDLO C=CCCOCC(=O)N(C)CCN(C)c1cc[nH+]c(C)n1 ZINC001105423703 907119323 /nfs/dbraw/zinc/11/93/23/907119323.db2.gz GOCADQNJSNQVKB-UHFFFAOYSA-N 1 2 292.383 1.272 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128454047 921305572 /nfs/dbraw/zinc/30/55/72/921305572.db2.gz MCWVVFJUALWQER-ZDUSSCGKSA-N 1 2 290.411 1.937 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128454047 921305573 /nfs/dbraw/zinc/30/55/73/921305573.db2.gz MCWVVFJUALWQER-ZDUSSCGKSA-N 1 2 290.411 1.937 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2=COCCO2)[C@H]1C ZINC001088454928 907314455 /nfs/dbraw/zinc/31/44/55/907314455.db2.gz PQGDMWQVZGYKSX-MNOVXSKESA-N 1 2 286.759 1.206 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2=COCCO2)[C@H]1C ZINC001088454928 907314473 /nfs/dbraw/zinc/31/44/73/907314473.db2.gz PQGDMWQVZGYKSX-MNOVXSKESA-N 1 2 286.759 1.206 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2cccn2)[C@H]1C ZINC001088470212 907378414 /nfs/dbraw/zinc/37/84/14/907378414.db2.gz ZAXPEFXEVCXKTK-NEPJUHHUSA-N 1 2 282.775 1.215 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2cccn2)[C@H]1C ZINC001088470212 907378429 /nfs/dbraw/zinc/37/84/29/907378429.db2.gz ZAXPEFXEVCXKTK-NEPJUHHUSA-N 1 2 282.775 1.215 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1C)c1nccn12 ZINC001092386353 909384901 /nfs/dbraw/zinc/38/49/01/909384901.db2.gz IXZVYOKYTCKRDL-JHJVBQTASA-N 1 2 286.379 1.297 20 30 CDEDLO Cc1nc(NCCNC(=O)CCn2cc[nH+]c2)ccc1C#N ZINC001094024713 910267939 /nfs/dbraw/zinc/26/79/39/910267939.db2.gz UEKRAIWFWGXDSJ-UHFFFAOYSA-N 1 2 298.350 1.077 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001094051353 910291713 /nfs/dbraw/zinc/29/17/13/910291713.db2.gz UDPVELSPZHVALW-NSHDSACASA-N 1 2 262.357 1.915 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171475977 910794206 /nfs/dbraw/zinc/79/42/06/910794206.db2.gz IKGMDHKEKMAMGZ-STQMWFEESA-N 1 2 277.318 1.619 20 30 CDEDLO Cc1cccc2c1CC[C@H](N1CC[NH2+]C[C@H]1C#N)C2 ZINC001171565384 910829266 /nfs/dbraw/zinc/82/92/66/910829266.db2.gz OKSAANIHMWCTNX-LSDHHAIUSA-N 1 2 255.365 1.650 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2cccc(C)n2)CC1 ZINC001204068641 910837831 /nfs/dbraw/zinc/83/78/31/910837831.db2.gz DGCJTZFBHIMEON-UHFFFAOYSA-N 1 2 273.336 1.669 20 30 CDEDLO C#CCCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ccon2)C1 ZINC001189743585 921627908 /nfs/dbraw/zinc/62/79/08/921627908.db2.gz HGIGOIVHMCOCJW-HNNXBMFYSA-N 1 2 289.379 1.901 20 30 CDEDLO C#CCCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccon2)C1 ZINC001189743585 921627915 /nfs/dbraw/zinc/62/79/15/921627915.db2.gz HGIGOIVHMCOCJW-HNNXBMFYSA-N 1 2 289.379 1.901 20 30 CDEDLO C[C@H](Cc1ccc(C#N)cc1)N1CC[NH2+]C[C@H]1C#N ZINC001172315389 911555678 /nfs/dbraw/zinc/55/56/78/911555678.db2.gz OLJFTHITOWIEKN-IUODEOHRSA-N 1 2 254.337 1.287 20 30 CDEDLO C[C@@H](CCCC#N)[NH2+][C@@H]1Oc2ccc(CCO)cc2O1 ZINC001172490676 911727671 /nfs/dbraw/zinc/72/76/71/911727671.db2.gz JUJKSFBTKYSWFU-XHDPSFHLSA-N 1 2 276.336 1.948 20 30 CDEDLO COC(=O)[C@@H]1CCC[C@@H]([N@@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001172626934 911843424 /nfs/dbraw/zinc/84/34/24/911843424.db2.gz QAPCLMSSUUCEJB-RTXFEEFZSA-N 1 2 295.404 1.992 20 30 CDEDLO COC(=O)[C@@H]1CCC[C@@H]([N@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001172626934 911843426 /nfs/dbraw/zinc/84/34/26/911843426.db2.gz QAPCLMSSUUCEJB-RTXFEEFZSA-N 1 2 295.404 1.992 20 30 CDEDLO COC(=O)[C@@H]1CCC[C@@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001172626934 911843436 /nfs/dbraw/zinc/84/34/36/911843436.db2.gz QAPCLMSSUUCEJB-RTXFEEFZSA-N 1 2 295.404 1.992 20 30 CDEDLO COC(=O)[C@@H]1CCC[C@@H]([N@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001172626934 911843440 /nfs/dbraw/zinc/84/34/40/911843440.db2.gz QAPCLMSSUUCEJB-RTXFEEFZSA-N 1 2 295.404 1.992 20 30 CDEDLO COC(=O)[C@@H]1CCC[C@@H]([NH+]2CC(C)(C#N)C2)CC1 ZINC001172782130 911970337 /nfs/dbraw/zinc/97/03/37/911970337.db2.gz MOYCROKTYBLMMV-VXGBXAGGSA-N 1 2 250.342 1.954 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](c2ccccn2)C2CC2)CC1 ZINC001178236808 915306290 /nfs/dbraw/zinc/30/62/90/915306290.db2.gz CZJSUISMBJFMPR-MRXNPFEDSA-N 1 2 285.391 1.905 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001179895061 916033213 /nfs/dbraw/zinc/03/32/13/916033213.db2.gz IBOSABHYSYLLAE-LBPRGKRZSA-N 1 2 268.320 1.990 20 30 CDEDLO C=CCCC(=O)NCC[NH2+]Cc1nc(CC(C)C)no1 ZINC001124636489 936327180 /nfs/dbraw/zinc/32/71/80/936327180.db2.gz PRYMPBQFNSYKHT-UHFFFAOYSA-N 1 2 280.372 1.440 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cncs1 ZINC001485283380 916739518 /nfs/dbraw/zinc/73/95/18/916739518.db2.gz SFTRKSNCFQMBLE-VIFPVBQESA-N 1 2 273.789 1.946 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cncs1 ZINC001485283380 916739530 /nfs/dbraw/zinc/73/95/30/916739530.db2.gz SFTRKSNCFQMBLE-VIFPVBQESA-N 1 2 273.789 1.946 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cn(CCC)nn1 ZINC001485371486 916898966 /nfs/dbraw/zinc/89/89/66/916898966.db2.gz MHZIWDHZWRJUQR-NSHDSACASA-N 1 2 299.806 1.491 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cn(CCC)nn1 ZINC001485371486 916898980 /nfs/dbraw/zinc/89/89/80/916898980.db2.gz MHZIWDHZWRJUQR-NSHDSACASA-N 1 2 299.806 1.491 20 30 CDEDLO C=CCOc1ccc(C[NH+]2CC(N(C)C3COC3)C2)cc1 ZINC001204303389 917246338 /nfs/dbraw/zinc/24/63/38/917246338.db2.gz GMEBXCUHYAEEID-UHFFFAOYSA-N 1 2 288.391 1.766 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H]([NH2+]Cc2nc(CC)no2)C1 ZINC001182215351 917730086 /nfs/dbraw/zinc/73/00/86/917730086.db2.gz QSSZGHRECRTPFF-GFCCVEGCSA-N 1 2 290.367 1.126 20 30 CDEDLO CC(C)c1noc([C@H](C)[NH2+]CCNC(=O)[C@H](C)C#N)n1 ZINC001124908991 917759342 /nfs/dbraw/zinc/75/93/42/917759342.db2.gz XHAYTVXOBITBDA-ZJUUUORDSA-N 1 2 279.344 1.119 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)C2(c3ccccc3C#N)CC2)C1 ZINC001183293459 918427958 /nfs/dbraw/zinc/42/79/58/918427958.db2.gz MHVFICHHSHZLEH-AWEZNQCLSA-N 1 2 299.374 1.037 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNC(=O)C2(c3ccccc3C#N)CC2)C1 ZINC001183293459 918427964 /nfs/dbraw/zinc/42/79/64/918427964.db2.gz MHVFICHHSHZLEH-AWEZNQCLSA-N 1 2 299.374 1.037 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001183399651 918473438 /nfs/dbraw/zinc/47/34/38/918473438.db2.gz ASWSNDZVHJFHAS-KBPBESRZSA-N 1 2 294.395 1.296 20 30 CDEDLO CCOC(=O)[C@@H]([NH3+])Cc1cn([C@H](CC)CC#N)cn1 ZINC001255163875 936515135 /nfs/dbraw/zinc/51/51/35/936515135.db2.gz FHAOHFYAQABRNS-NEPJUHHUSA-N 1 2 264.329 1.181 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)cc1OC ZINC001138342917 936522884 /nfs/dbraw/zinc/52/28/84/936522884.db2.gz DGCHKPAOWPRPCO-KBPBESRZSA-N 1 2 293.338 1.612 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)cc1OC ZINC001138342917 936522886 /nfs/dbraw/zinc/52/28/86/936522886.db2.gz DGCHKPAOWPRPCO-KBPBESRZSA-N 1 2 293.338 1.612 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CSC(C)C)C1 ZINC001107751871 918731101 /nfs/dbraw/zinc/73/11/01/918731101.db2.gz LIWAYFMBZYKKQX-OAHLLOKOSA-N 1 2 298.452 1.358 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CSC(C)C)C1 ZINC001107751871 918731106 /nfs/dbraw/zinc/73/11/06/918731106.db2.gz LIWAYFMBZYKKQX-OAHLLOKOSA-N 1 2 298.452 1.358 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCSCC)C1 ZINC001107771667 918760081 /nfs/dbraw/zinc/76/00/81/918760081.db2.gz VQGIMVYWVFYVCM-HNNXBMFYSA-N 1 2 298.452 1.360 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CCSCC)C1 ZINC001107771667 918760093 /nfs/dbraw/zinc/76/00/93/918760093.db2.gz VQGIMVYWVFYVCM-HNNXBMFYSA-N 1 2 298.452 1.360 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)/C=C\C2CC2)C1 ZINC001107840854 918863020 /nfs/dbraw/zinc/86/30/20/918863020.db2.gz CXMNMDGPFGUFEO-PTZVLDCSSA-N 1 2 276.380 1.183 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)/C=C\C2CC2)C1 ZINC001107840854 918863037 /nfs/dbraw/zinc/86/30/37/918863037.db2.gz CXMNMDGPFGUFEO-PTZVLDCSSA-N 1 2 276.380 1.183 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CC(C)C2)C1 ZINC001107857673 918904769 /nfs/dbraw/zinc/90/47/69/918904769.db2.gz ANPUSFOTNUXEBG-XUJLQICISA-N 1 2 278.396 1.263 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CC(C)C2)C1 ZINC001107857673 918904779 /nfs/dbraw/zinc/90/47/79/918904779.db2.gz ANPUSFOTNUXEBG-XUJLQICISA-N 1 2 278.396 1.263 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2cccnc2)C1 ZINC001107870632 918943317 /nfs/dbraw/zinc/94/33/17/918943317.db2.gz WDRMOYDVDRPQRK-MRXNPFEDSA-N 1 2 289.379 1.017 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2cccnc2)C1 ZINC001107870632 918943328 /nfs/dbraw/zinc/94/33/28/918943328.db2.gz WDRMOYDVDRPQRK-MRXNPFEDSA-N 1 2 289.379 1.017 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)COC(C)(C)C)C1 ZINC001107879759 918968861 /nfs/dbraw/zinc/96/88/61/918968861.db2.gz AUXOOSWLPDTQCE-OAHLLOKOSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)COC(C)(C)C)C1 ZINC001107879759 918968875 /nfs/dbraw/zinc/96/88/75/918968875.db2.gz AUXOOSWLPDTQCE-OAHLLOKOSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CC[C@H](C)OC)C1 ZINC001107886427 918992875 /nfs/dbraw/zinc/99/28/75/918992875.db2.gz IIYGHGXKMOWDFO-DZGCQCFKSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CC[C@H](C)OC)C1 ZINC001107886427 918992894 /nfs/dbraw/zinc/99/28/94/918992894.db2.gz IIYGHGXKMOWDFO-DZGCQCFKSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCOCC2)C1 ZINC001107907237 919036854 /nfs/dbraw/zinc/03/68/54/919036854.db2.gz PYMGSNQUMTYQMQ-GDBMZVCRSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCOCC2)C1 ZINC001107907237 919036868 /nfs/dbraw/zinc/03/68/68/919036868.db2.gz PYMGSNQUMTYQMQ-GDBMZVCRSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CCOc1ccccc1C[NH+]1CC(N(C)C2COC2)C1 ZINC001139029683 936590000 /nfs/dbraw/zinc/59/00/00/936590000.db2.gz GWGLDXCHTWWUPH-UHFFFAOYSA-N 1 2 288.391 1.766 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)c1ccccc1 ZINC001032741759 919877458 /nfs/dbraw/zinc/87/74/58/919877458.db2.gz XAHDTWNMHKGPLI-YESZJQIVSA-N 1 2 298.386 1.683 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)c1ccccc1 ZINC001032741759 919877466 /nfs/dbraw/zinc/87/74/66/919877466.db2.gz XAHDTWNMHKGPLI-YESZJQIVSA-N 1 2 298.386 1.683 20 30 CDEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(N)ncnc2Cl)C1 ZINC001139442074 936621344 /nfs/dbraw/zinc/62/13/44/936621344.db2.gz XCVSNVYSERSVOO-SECBINFHSA-N 1 2 250.733 1.557 20 30 CDEDLO C#C[C@@H]1CCC[N@H+](Cc2c(N)ncnc2Cl)C1 ZINC001139442074 936621346 /nfs/dbraw/zinc/62/13/46/936621346.db2.gz XCVSNVYSERSVOO-SECBINFHSA-N 1 2 250.733 1.557 20 30 CDEDLO C=C(C)Cc1ccc(NCC[NH+]2CCN(C)CC2)nc1 ZINC001250244116 920049781 /nfs/dbraw/zinc/04/97/81/920049781.db2.gz KHQBWTZYIYGLOQ-UHFFFAOYSA-N 1 2 274.412 1.860 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)C(C)(C)C)C1 ZINC001108028485 920099423 /nfs/dbraw/zinc/09/94/23/920099423.db2.gz GNHCCXXKKUDUDS-WMLDXEAASA-N 1 2 294.439 1.899 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)C(C)(C)C)C1 ZINC001108028485 920099428 /nfs/dbraw/zinc/09/94/28/920099428.db2.gz GNHCCXXKKUDUDS-WMLDXEAASA-N 1 2 294.439 1.899 20 30 CDEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC001078094813 920100563 /nfs/dbraw/zinc/10/05/63/920100563.db2.gz HRXDBSAKNRPTGQ-RKDXNWHRSA-N 1 2 286.278 1.178 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC001078094813 920100572 /nfs/dbraw/zinc/10/05/72/920100572.db2.gz HRXDBSAKNRPTGQ-RKDXNWHRSA-N 1 2 286.278 1.178 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cc(F)cnc1Cl ZINC000833363482 936630235 /nfs/dbraw/zinc/63/02/35/936630235.db2.gz OWVRYMSETPETSZ-LBPRGKRZSA-N 1 2 295.745 1.588 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cc(F)cnc1Cl ZINC000833363482 936630237 /nfs/dbraw/zinc/63/02/37/936630237.db2.gz OWVRYMSETPETSZ-LBPRGKRZSA-N 1 2 295.745 1.588 20 30 CDEDLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139706493 936638313 /nfs/dbraw/zinc/63/83/13/936638313.db2.gz WHTGSFZJSYBZNV-LLVKDONJSA-N 1 2 282.347 1.702 20 30 CDEDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139706493 936638314 /nfs/dbraw/zinc/63/83/14/936638314.db2.gz WHTGSFZJSYBZNV-LLVKDONJSA-N 1 2 282.347 1.702 20 30 CDEDLO C=CC[NH+]1CCN(Cc2cnc(OC)s2)CC1 ZINC001139817563 936648936 /nfs/dbraw/zinc/64/89/36/936648936.db2.gz YOLYFIQVCBLYIS-UHFFFAOYSA-N 1 2 253.371 1.455 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C)o3)C[C@H]21 ZINC001187192298 920398361 /nfs/dbraw/zinc/39/83/61/920398361.db2.gz WQJDVWQHEUVLJU-UONOGXRCSA-N 1 2 289.379 1.982 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C)o3)C[C@H]21 ZINC001187192298 920398378 /nfs/dbraw/zinc/39/83/78/920398378.db2.gz WQJDVWQHEUVLJU-UONOGXRCSA-N 1 2 289.379 1.982 20 30 CDEDLO C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190269689 921945715 /nfs/dbraw/zinc/94/57/15/921945715.db2.gz KOGDHPUSHGNSOA-ZJUUUORDSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190269689 921945721 /nfs/dbraw/zinc/94/57/21/921945721.db2.gz KOGDHPUSHGNSOA-ZJUUUORDSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001190269689 921945730 /nfs/dbraw/zinc/94/57/30/921945730.db2.gz KOGDHPUSHGNSOA-ZJUUUORDSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001190269689 921945735 /nfs/dbraw/zinc/94/57/35/921945735.db2.gz KOGDHPUSHGNSOA-ZJUUUORDSA-N 1 2 280.265 1.443 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1C1CCC(C(F)(F)F)CC1 ZINC001255516832 936717486 /nfs/dbraw/zinc/71/74/86/936717486.db2.gz QDQGHNXPZKAONU-ILDUYXDCSA-N 1 2 261.291 1.905 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@]1(C)C[N@H+](CC#CC)CCO1 ZINC001108147725 922777530 /nfs/dbraw/zinc/77/75/30/922777530.db2.gz CMLQMQOWDDTQIP-WBVHZDCISA-N 1 2 292.423 1.819 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001108147725 922777541 /nfs/dbraw/zinc/77/75/41/922777541.db2.gz CMLQMQOWDDTQIP-WBVHZDCISA-N 1 2 292.423 1.819 20 30 CDEDLO C[C@H](CCNC(=O)Cn1cc[nH+]c1)Nc1ncccc1C#N ZINC001099262363 936784509 /nfs/dbraw/zinc/78/45/09/936784509.db2.gz SRITWFCLCJAPNI-GFCCVEGCSA-N 1 2 298.350 1.157 20 30 CDEDLO Cc1cccn2c([C@H](C)NS(=O)(=O)[C@@H](C)C#N)c[nH+]c12 ZINC001193181589 923542345 /nfs/dbraw/zinc/54/23/45/923542345.db2.gz BIOUULUSARTXPF-QWRGUYRKSA-N 1 2 292.364 1.535 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnco2)C1 ZINC001080223308 924512795 /nfs/dbraw/zinc/51/27/95/924512795.db2.gz AYBPRXZIDGPTRS-PSASIEDQSA-N 1 2 269.732 1.477 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnco2)C1 ZINC001080223308 924512804 /nfs/dbraw/zinc/51/28/04/924512804.db2.gz AYBPRXZIDGPTRS-PSASIEDQSA-N 1 2 269.732 1.477 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(CC)cn2)C1 ZINC001080793904 924640655 /nfs/dbraw/zinc/64/06/55/924640655.db2.gz JTGYMVJRZHBCBI-ZYHUDNBSSA-N 1 2 296.802 1.706 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(CC)cn2)C1 ZINC001080793904 924640658 /nfs/dbraw/zinc/64/06/58/924640658.db2.gz JTGYMVJRZHBCBI-ZYHUDNBSSA-N 1 2 296.802 1.706 20 30 CDEDLO CSc1nc(C[N@@H+]2CCCOCC2)ccc1C#N ZINC001141928972 936955493 /nfs/dbraw/zinc/95/54/93/936955493.db2.gz FRSWLUGOCJBIIM-UHFFFAOYSA-N 1 2 263.366 1.897 20 30 CDEDLO CSc1nc(C[N@H+]2CCCOCC2)ccc1C#N ZINC001141928972 936955496 /nfs/dbraw/zinc/95/54/96/936955496.db2.gz FRSWLUGOCJBIIM-UHFFFAOYSA-N 1 2 263.366 1.897 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@H](OC)C1 ZINC001082399765 924914888 /nfs/dbraw/zinc/91/48/88/924914888.db2.gz NGPWESVOAHGURK-CHWSQXEVSA-N 1 2 292.423 1.507 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@H](OC)C1 ZINC001082399765 924914894 /nfs/dbraw/zinc/91/48/94/924914894.db2.gz NGPWESVOAHGURK-CHWSQXEVSA-N 1 2 292.423 1.507 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001196880644 924997703 /nfs/dbraw/zinc/99/77/03/924997703.db2.gz MNHMDMLGAXURMG-ZIAGYGMSSA-N 1 2 293.411 1.012 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001196880644 924997709 /nfs/dbraw/zinc/99/77/09/924997709.db2.gz MNHMDMLGAXURMG-ZIAGYGMSSA-N 1 2 293.411 1.012 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCC3CCC3)[C@H]2C1 ZINC001083041012 925086768 /nfs/dbraw/zinc/08/67/68/925086768.db2.gz MTPOKMALQXSBIT-LSDHHAIUSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCC3CCC3)[C@H]2C1 ZINC001083041012 925086779 /nfs/dbraw/zinc/08/67/79/925086779.db2.gz MTPOKMALQXSBIT-LSDHHAIUSA-N 1 2 276.380 1.112 20 30 CDEDLO CCc1cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)ccc1C#N ZINC001197291473 925115730 /nfs/dbraw/zinc/11/57/30/925115730.db2.gz BQOSNTRWXQVNNL-HNNXBMFYSA-N 1 2 287.363 1.181 20 30 CDEDLO CCc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC001197291473 925115736 /nfs/dbraw/zinc/11/57/36/925115736.db2.gz BQOSNTRWXQVNNL-HNNXBMFYSA-N 1 2 287.363 1.181 20 30 CDEDLO Cc1cc(C)c(C(=O)N2C[C@H]3CCN(CC#N)C[C@H]32)c(C)[nH+]1 ZINC001084534449 925277958 /nfs/dbraw/zinc/27/79/58/925277958.db2.gz BYUBMFUYPVGEDX-HUUCEWRRSA-N 1 2 298.390 1.677 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ocnc3C(F)F)[C@@H]2C1 ZINC001084666478 925340507 /nfs/dbraw/zinc/34/05/07/925340507.db2.gz DIRVSAQNPMNLNA-NXEZZACHSA-N 1 2 295.289 1.392 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ocnc3C(F)F)[C@@H]2C1 ZINC001084666478 925340515 /nfs/dbraw/zinc/34/05/15/925340515.db2.gz DIRVSAQNPMNLNA-NXEZZACHSA-N 1 2 295.289 1.392 20 30 CDEDLO C=C/C(C)=C\CC(=O)N[C@@H]1CC[N@H+](CC(=C)Cl)C[C@@H]1O ZINC001099953447 925824986 /nfs/dbraw/zinc/82/49/86/925824986.db2.gz AAUCENFPULQDFZ-QEUAEHOYSA-N 1 2 298.814 1.813 20 30 CDEDLO C=C/C(C)=C\CC(=O)N[C@@H]1CC[N@@H+](CC(=C)Cl)C[C@@H]1O ZINC001099953447 925824994 /nfs/dbraw/zinc/82/49/94/925824994.db2.gz AAUCENFPULQDFZ-QEUAEHOYSA-N 1 2 298.814 1.813 20 30 CDEDLO C=C/C(C)=C\CC(=O)N[C@@H]1CC[N@H+](CC(=C)Cl)C[C@H]1O ZINC001099953445 925825602 /nfs/dbraw/zinc/82/56/02/925825602.db2.gz AAUCENFPULQDFZ-HYEHTMCKSA-N 1 2 298.814 1.813 20 30 CDEDLO C=C/C(C)=C\CC(=O)N[C@@H]1CC[N@@H+](CC(=C)Cl)C[C@H]1O ZINC001099953445 925825611 /nfs/dbraw/zinc/82/56/11/925825611.db2.gz AAUCENFPULQDFZ-HYEHTMCKSA-N 1 2 298.814 1.813 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1n[nH]c(C)c1C ZINC001085523272 926108112 /nfs/dbraw/zinc/10/81/12/926108112.db2.gz HWPSVWUVGVTDBK-CYBMUJFWSA-N 1 2 274.368 1.196 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1n[nH]c(C)c1C ZINC001085523272 926108117 /nfs/dbraw/zinc/10/81/17/926108117.db2.gz HWPSVWUVGVTDBK-CYBMUJFWSA-N 1 2 274.368 1.196 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cncc(C)c1 ZINC001085527929 926115830 /nfs/dbraw/zinc/11/58/30/926115830.db2.gz LZZIQTHLPQJXNK-CQSZACIVSA-N 1 2 257.337 1.170 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cncc(C)c1 ZINC001085527929 926115833 /nfs/dbraw/zinc/11/58/33/926115833.db2.gz LZZIQTHLPQJXNK-CQSZACIVSA-N 1 2 257.337 1.170 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccsc1C ZINC001085587243 926181262 /nfs/dbraw/zinc/18/12/62/926181262.db2.gz MLRZEIBKTVPQNA-LBPRGKRZSA-N 1 2 262.378 1.836 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccsc1C ZINC001085587243 926181267 /nfs/dbraw/zinc/18/12/67/926181267.db2.gz MLRZEIBKTVPQNA-LBPRGKRZSA-N 1 2 262.378 1.836 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(F)F)ncn1 ZINC001085669664 926262431 /nfs/dbraw/zinc/26/24/31/926262431.db2.gz DYURDQGQUIIREE-JTQLQIEISA-N 1 2 294.305 1.194 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(F)F)ncn1 ZINC001085669664 926262437 /nfs/dbraw/zinc/26/24/37/926262437.db2.gz DYURDQGQUIIREE-JTQLQIEISA-N 1 2 294.305 1.194 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ncccc1CC ZINC001085682236 926279815 /nfs/dbraw/zinc/27/98/15/926279815.db2.gz PPAFVBLOFAOHKY-CQSZACIVSA-N 1 2 271.364 1.424 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncccc1CC ZINC001085682236 926279826 /nfs/dbraw/zinc/27/98/26/926279826.db2.gz PPAFVBLOFAOHKY-CQSZACIVSA-N 1 2 271.364 1.424 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2CC3(CC3)C2)C1 ZINC001108205169 926314440 /nfs/dbraw/zinc/31/44/40/926314440.db2.gz IGBDYWGAVSQGRG-OAHLLOKOSA-N 1 2 278.396 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2CC3(CC3)C2)C1 ZINC001108205169 926314449 /nfs/dbraw/zinc/31/44/49/926314449.db2.gz IGBDYWGAVSQGRG-OAHLLOKOSA-N 1 2 278.396 1.570 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)noc1C1CC1 ZINC001085728851 926328214 /nfs/dbraw/zinc/32/82/14/926328214.db2.gz IPMOHULTEDTQSF-CYBMUJFWSA-N 1 2 287.363 1.640 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)noc1C1CC1 ZINC001085728851 926328225 /nfs/dbraw/zinc/32/82/25/926328225.db2.gz IPMOHULTEDTQSF-CYBMUJFWSA-N 1 2 287.363 1.640 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(CC)nnc1C ZINC001085741987 926343942 /nfs/dbraw/zinc/34/39/42/926343942.db2.gz FQECAPGSYKOWQD-AWEZNQCLSA-N 1 2 286.379 1.127 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(CC)nnc1C ZINC001085741987 926343951 /nfs/dbraw/zinc/34/39/51/926343951.db2.gz FQECAPGSYKOWQD-AWEZNQCLSA-N 1 2 286.379 1.127 20 30 CDEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2CCF)cc1 ZINC001085756159 926361463 /nfs/dbraw/zinc/36/14/63/926361463.db2.gz BJJOFYZGFKMCMG-OAHLLOKOSA-N 1 2 274.339 1.784 20 30 CDEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2CCF)cc1 ZINC001085756159 926361472 /nfs/dbraw/zinc/36/14/72/926361472.db2.gz BJJOFYZGFKMCMG-OAHLLOKOSA-N 1 2 274.339 1.784 20 30 CDEDLO C=CCOCC(=O)N(C)[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102691967 937079368 /nfs/dbraw/zinc/07/93/68/937079368.db2.gz LIZSLVLKQWGMKU-ZDUSSCGKSA-N 1 2 290.367 1.025 20 30 CDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2[C@@H](C)C(=O)OCC ZINC001273908730 926411404 /nfs/dbraw/zinc/41/14/04/926411404.db2.gz WTGFHUKVTFTCBD-BBRMVZONSA-N 1 2 294.395 1.581 20 30 CDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2[C@@H](C)C(=O)OCC ZINC001273908730 926411410 /nfs/dbraw/zinc/41/14/10/926411410.db2.gz WTGFHUKVTFTCBD-BBRMVZONSA-N 1 2 294.395 1.581 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ocnc1C(F)F ZINC001085820281 926426481 /nfs/dbraw/zinc/42/64/81/926426481.db2.gz VJWDXFNNICQQSF-SNVBAGLBSA-N 1 2 297.305 1.782 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ocnc1C(F)F ZINC001085820281 926426487 /nfs/dbraw/zinc/42/64/87/926426487.db2.gz VJWDXFNNICQQSF-SNVBAGLBSA-N 1 2 297.305 1.782 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ocnc1C(F)F ZINC001085820280 926427367 /nfs/dbraw/zinc/42/73/67/926427367.db2.gz VJWDXFNNICQQSF-JTQLQIEISA-N 1 2 297.305 1.782 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ocnc1C(F)F ZINC001085820280 926427371 /nfs/dbraw/zinc/42/73/71/926427371.db2.gz VJWDXFNNICQQSF-JTQLQIEISA-N 1 2 297.305 1.782 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(Cl)no1 ZINC001085939092 926524328 /nfs/dbraw/zinc/52/43/28/926524328.db2.gz XNLAZXLVJQITGW-JTQLQIEISA-N 1 2 281.743 1.498 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(Cl)no1 ZINC001085939092 926524335 /nfs/dbraw/zinc/52/43/35/926524335.db2.gz XNLAZXLVJQITGW-JTQLQIEISA-N 1 2 281.743 1.498 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c(cn1)OCCC2 ZINC001085950071 926534505 /nfs/dbraw/zinc/53/45/05/926534505.db2.gz WJPAMZPCQOWOOF-CQSZACIVSA-N 1 2 299.374 1.186 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c(cn1)OCCC2 ZINC001085950071 926534514 /nfs/dbraw/zinc/53/45/14/926534514.db2.gz WJPAMZPCQOWOOF-CQSZACIVSA-N 1 2 299.374 1.186 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CC(C)C)C1 ZINC001108309696 927372747 /nfs/dbraw/zinc/37/27/47/927372747.db2.gz XTVOZTUHKMNKRQ-DOTOQJQBSA-N 1 2 294.439 1.899 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CC(C)C)C1 ZINC001108309696 927372760 /nfs/dbraw/zinc/37/27/60/927372760.db2.gz XTVOZTUHKMNKRQ-DOTOQJQBSA-N 1 2 294.439 1.899 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCC2(C)CC2)C1 ZINC001108320412 927380354 /nfs/dbraw/zinc/38/03/54/927380354.db2.gz FNFAKKSVZIQWMO-QGZVFWFLSA-N 1 2 292.423 1.797 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCC2(C)CC2)C1 ZINC001108320412 927380367 /nfs/dbraw/zinc/38/03/67/927380367.db2.gz FNFAKKSVZIQWMO-QGZVFWFLSA-N 1 2 292.423 1.797 20 30 CDEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCCN(C(C)=O)C1 ZINC001169577898 928227512 /nfs/dbraw/zinc/22/75/12/928227512.db2.gz VWJUAVVACSOZMU-GJZGRUSLSA-N 1 2 296.411 1.731 20 30 CDEDLO C#CCCCC(=O)N(C)CCCNc1cc[nH+]c(C)n1 ZINC001109426641 928931022 /nfs/dbraw/zinc/93/10/22/928931022.db2.gz SUGNVUJRDRHJMY-UHFFFAOYSA-N 1 2 274.368 1.849 20 30 CDEDLO C#CCCCC(=O)N1CC[NH+](Cc2cccnc2C)CC1 ZINC001112803230 929436626 /nfs/dbraw/zinc/43/66/26/929436626.db2.gz YBVQRFFDTVMGOI-UHFFFAOYSA-N 1 2 285.391 1.838 20 30 CDEDLO C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC001170894006 930688189 /nfs/dbraw/zinc/68/81/89/930688189.db2.gz GPUSDAXXDRZOFE-ZJUUUORDSA-N 1 2 282.281 1.785 20 30 CDEDLO C#CC[NH2+]CCCC[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC001170894006 930688181 /nfs/dbraw/zinc/68/81/81/930688181.db2.gz GPUSDAXXDRZOFE-ZJUUUORDSA-N 1 2 282.281 1.785 20 30 CDEDLO C#CC[NH2+]CCCC[C@H](C)NC(=O)C(F)C(F)(F)F ZINC001170894002 930688951 /nfs/dbraw/zinc/68/89/51/930688951.db2.gz GPUSDAXXDRZOFE-UWVGGRQHSA-N 1 2 282.281 1.785 20 30 CDEDLO C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC001170894002 930688954 /nfs/dbraw/zinc/68/89/54/930688954.db2.gz GPUSDAXXDRZOFE-UWVGGRQHSA-N 1 2 282.281 1.785 20 30 CDEDLO CCOCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCC#N ZINC001274030116 931129420 /nfs/dbraw/zinc/12/94/20/931129420.db2.gz CWCFCSPGTDIKCF-HNNXBMFYSA-N 1 2 279.384 1.394 20 30 CDEDLO CCOCCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCC#N ZINC001274030116 931129423 /nfs/dbraw/zinc/12/94/23/931129423.db2.gz CWCFCSPGTDIKCF-HNNXBMFYSA-N 1 2 279.384 1.394 20 30 CDEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](CCC#N)CC2 ZINC001274030922 931129934 /nfs/dbraw/zinc/12/99/34/931129934.db2.gz BTFVCJRHTBZCPD-ZDUSSCGKSA-N 1 2 274.368 1.422 20 30 CDEDLO Cc1nc(N2CCC(NC(=O)[C@H](C)C#N)CC2)cc[nH+]1 ZINC001095398805 931442858 /nfs/dbraw/zinc/44/28/58/931442858.db2.gz DFFQWRKRPKBFQE-SNVBAGLBSA-N 1 2 273.340 1.030 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]cc2C)[C@H](O)C1 ZINC001090803258 931484912 /nfs/dbraw/zinc/48/49/12/931484912.db2.gz ACWXVKJEMSDXNS-CHWSQXEVSA-N 1 2 297.786 1.241 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]cc2C)[C@H](O)C1 ZINC001090803258 931484913 /nfs/dbraw/zinc/48/49/13/931484913.db2.gz ACWXVKJEMSDXNS-CHWSQXEVSA-N 1 2 297.786 1.241 20 30 CDEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cnsc2)C1=O ZINC001274514870 931505352 /nfs/dbraw/zinc/50/53/52/931505352.db2.gz JSKGANHJBPPNDP-AWEZNQCLSA-N 1 2 275.377 1.343 20 30 CDEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cnsc2)C1=O ZINC001274514870 931505353 /nfs/dbraw/zinc/50/53/53/931505353.db2.gz JSKGANHJBPPNDP-AWEZNQCLSA-N 1 2 275.377 1.343 20 30 CDEDLO CN1CC[C@]2(CC[N@H+](Cc3cc(C#N)ccc3O)C2)C1=O ZINC001274667190 931536926 /nfs/dbraw/zinc/53/69/26/931536926.db2.gz LRFIGLYHZMVPLR-MRXNPFEDSA-N 1 2 285.347 1.318 20 30 CDEDLO CN1CC[C@]2(CC[N@@H+](Cc3cc(C#N)ccc3O)C2)C1=O ZINC001274667190 931536928 /nfs/dbraw/zinc/53/69/28/931536928.db2.gz LRFIGLYHZMVPLR-MRXNPFEDSA-N 1 2 285.347 1.318 20 30 CDEDLO C#CC(=O)N1CC[NH+](C[C@H](OC)c2ccccc2)CC1 ZINC001143908035 931582236 /nfs/dbraw/zinc/58/22/36/931582236.db2.gz BURMVWRGGBUKLB-HNNXBMFYSA-N 1 2 272.348 1.152 20 30 CDEDLO CN(C)c1ccc(NC(=[NH2+])c2ccc(C(N)=O)cc2)nc1 ZINC001171256497 932155046 /nfs/dbraw/zinc/15/50/46/932155046.db2.gz JYYSIJKKPHNLQS-UHFFFAOYSA-N 1 2 283.335 1.284 20 30 CDEDLO C=CCCC(=O)N1CC2(C1)CC[N@@H+](Cc1coc(C)n1)C2 ZINC001147181644 932443644 /nfs/dbraw/zinc/44/36/44/932443644.db2.gz LWRVMTWAIPSPBV-UHFFFAOYSA-N 1 2 289.379 1.984 20 30 CDEDLO C=CCCC(=O)N1CC2(C1)CC[N@H+](Cc1coc(C)n1)C2 ZINC001147181644 932443648 /nfs/dbraw/zinc/44/36/48/932443648.db2.gz LWRVMTWAIPSPBV-UHFFFAOYSA-N 1 2 289.379 1.984 20 30 CDEDLO C[NH+](C)CCONC(=O)CSCc1ccc(C#N)cc1 ZINC001118764680 937664252 /nfs/dbraw/zinc/66/42/52/937664252.db2.gz RTGOODNQZCHNRL-UHFFFAOYSA-N 1 2 293.392 1.401 20 30 CDEDLO COC(=O)C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933608384 933834399 /nfs/dbraw/zinc/83/43/99/933834399.db2.gz ZCWYUTOAGNKWKZ-UHFFFAOYSA-N 1 2 258.321 1.911 20 30 CDEDLO C=CCC[C@H](C)[NH2+][C@@H](CCC(=O)OC)C(=O)OC ZINC001258718988 935037154 /nfs/dbraw/zinc/03/71/54/935037154.db2.gz ZPINIAAIHPLUGH-QWRGUYRKSA-N 1 2 257.330 1.426 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccncc2)on1 ZINC001038643972 935729834 /nfs/dbraw/zinc/72/98/34/935729834.db2.gz OFIGQIHYCKDSDO-ZDUSSCGKSA-N 1 2 298.346 1.727 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccncc2)on1 ZINC001038643972 935729836 /nfs/dbraw/zinc/72/98/36/935729836.db2.gz OFIGQIHYCKDSDO-ZDUSSCGKSA-N 1 2 298.346 1.727 20 30 CDEDLO C=CCO[C@H](C)C(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096392983 936062557 /nfs/dbraw/zinc/06/25/57/936062557.db2.gz DVCMDDQBHOHJRU-DGCLKSJQSA-N 1 2 290.367 1.071 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc[nH]n1)C2 ZINC001096907375 936235278 /nfs/dbraw/zinc/23/52/78/936235278.db2.gz WJJGZCKCQVXZFA-UPJWGTAASA-N 1 2 294.786 1.426 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc[nH]n1)C2 ZINC001096907375 936235281 /nfs/dbraw/zinc/23/52/81/936235281.db2.gz WJJGZCKCQVXZFA-UPJWGTAASA-N 1 2 294.786 1.426 20 30 CDEDLO Cc1nc(N[C@H]2C[C@@H](NC(=O)CSCC#N)C2)cc[nH+]1 ZINC001097151630 936271959 /nfs/dbraw/zinc/27/19/59/936271959.db2.gz CCFPENDVIHKJKG-PHIMTYICSA-N 1 2 291.380 1.101 20 30 CDEDLO C=C[C@](C)(O)C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001120769823 937834153 /nfs/dbraw/zinc/83/41/53/937834153.db2.gz OQXHTKBIKHWHRR-ZFWWWQNUSA-N 1 2 278.327 1.236 20 30 CDEDLO CC#CC[NH2+]C1CC2(CC(NC(=O)c3[nH]ncc3F)C2)C1 ZINC001121718779 937881439 /nfs/dbraw/zinc/88/14/39/937881439.db2.gz XRTMOXOAHKJVHY-UHFFFAOYSA-N 1 2 290.342 1.203 20 30 CDEDLO N#Cc1cc(Cl)nc(C(F)(F)N2CC[NH2+]C[C@@H]2C#N)c1 ZINC001156320005 938351614 /nfs/dbraw/zinc/35/16/14/938351614.db2.gz LVKHUJAWXZMKMV-VIFPVBQESA-N 1 2 297.696 1.453 20 30 CDEDLO COc1ccc2c(C)cc(N3CC[NH2+]C[C@@H]3C#N)nc2c1 ZINC001156327723 938352486 /nfs/dbraw/zinc/35/24/86/938352486.db2.gz JYOCNFQKURBUAT-LBPRGKRZSA-N 1 2 282.347 1.854 20 30 CDEDLO COc1ccnc(NCc2cc[nH+]c(N)c2)c1C#N ZINC001156756239 938414667 /nfs/dbraw/zinc/41/46/67/938414667.db2.gz UOKUTHRADHRCMO-UHFFFAOYSA-N 1 2 255.281 1.551 20 30 CDEDLO C=CCCC[NH2+]CCCNC(=O)C(F)C(F)(F)F ZINC001158471383 938628713 /nfs/dbraw/zinc/62/87/13/938628713.db2.gz JLAZTLUWSWCKPN-VIFPVBQESA-N 1 2 270.270 1.949 20 30 CDEDLO C=CCCC[NH2+]CCCNC(=O)[C@H](F)C(F)(F)F ZINC001158471383 938628714 /nfs/dbraw/zinc/62/87/14/938628714.db2.gz JLAZTLUWSWCKPN-VIFPVBQESA-N 1 2 270.270 1.949 20 30 CDEDLO C#C[C@@](C)(CC)Nc1cc(N2CCC[C@@H]2C(N)=O)nc[nH+]1 ZINC001158742346 938658796 /nfs/dbraw/zinc/65/87/96/938658796.db2.gz FAVBHPBTXLFSOI-ABAIWWIYSA-N 1 2 287.367 1.145 20 30 CDEDLO C#C[C@@](C)(CC)Nc1cc(N2CCC[C@@H]2C(N)=O)[nH+]cn1 ZINC001158742346 938658797 /nfs/dbraw/zinc/65/87/97/938658797.db2.gz FAVBHPBTXLFSOI-ABAIWWIYSA-N 1 2 287.367 1.145 20 30 CDEDLO N#CCc1cc[nH+]c(N[C@H]2C(=O)NCc3ccccc32)c1 ZINC001158899968 938677028 /nfs/dbraw/zinc/67/70/28/938677028.db2.gz KTOUYRNQDRKZPR-OAHLLOKOSA-N 1 2 278.315 1.931 20 30 CDEDLO C#CC[N@H+]1CC=C(CCNC(=O)C(F)C(F)(F)F)CC1 ZINC001160196621 938774899 /nfs/dbraw/zinc/77/48/99/938774899.db2.gz VMIQBADQYQFATL-NSHDSACASA-N 1 2 292.276 1.658 20 30 CDEDLO C#CC[N@@H+]1CC=C(CCNC(=O)C(F)C(F)(F)F)CC1 ZINC001160196621 938774900 /nfs/dbraw/zinc/77/49/00/938774900.db2.gz VMIQBADQYQFATL-NSHDSACASA-N 1 2 292.276 1.658 20 30 CDEDLO C#CC[N@H+]1CC=C(CCNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001160196621 938774902 /nfs/dbraw/zinc/77/49/02/938774902.db2.gz VMIQBADQYQFATL-NSHDSACASA-N 1 2 292.276 1.658 20 30 CDEDLO C#CC[N@@H+]1CC=C(CCNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001160196621 938774904 /nfs/dbraw/zinc/77/49/04/938774904.db2.gz VMIQBADQYQFATL-NSHDSACASA-N 1 2 292.276 1.658 20 30 CDEDLO C#CCOCCOCCNc1[nH+]c(C)nc2[nH]ccc21 ZINC001160669097 938810689 /nfs/dbraw/zinc/81/06/89/938810689.db2.gz SANLOECDBBRTRV-UHFFFAOYSA-N 1 2 274.324 1.345 20 30 CDEDLO N#Cc1c(F)ccnc1N1CC[NH2+]CC(F)(F)C1 ZINC001164493391 939478706 /nfs/dbraw/zinc/47/87/06/939478706.db2.gz WJHWNGSCOISBQI-UHFFFAOYSA-N 1 2 256.231 1.137 20 30 CDEDLO C=C1CC(C)(C(=O)NCCC[NH2+][C@H](C)c2noc(C)n2)C1 ZINC001166239201 939600903 /nfs/dbraw/zinc/60/09/03/939600903.db2.gz PNFCPHXXFIPRLO-LLVKDONJSA-N 1 2 292.383 1.891 20 30 CDEDLO C#C[C@@H]1CCCN(c2cc(-n3cncn3)nc(C)[nH+]2)C1 ZINC001167008250 939670433 /nfs/dbraw/zinc/67/04/33/939670433.db2.gz VYOQQLFMVBBYLT-GFCCVEGCSA-N 1 2 268.324 1.215 20 30 CDEDLO N#Cc1cnn2c1[nH]c(=O)cc2Nc1ccn2cc[nH+]c2c1 ZINC001204959857 939808429 /nfs/dbraw/zinc/80/84/29/939808429.db2.gz XSOZDZLCUUWJQB-UHFFFAOYSA-N 1 2 291.274 1.698 20 30 CDEDLO CCn1cc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)cn1 ZINC001205525095 939895247 /nfs/dbraw/zinc/89/52/47/939895247.db2.gz NYTVDOFIOVWGAT-GFCCVEGCSA-N 1 2 263.366 1.677 20 30 CDEDLO CCn1cc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)cn1 ZINC001205525095 939895252 /nfs/dbraw/zinc/89/52/52/939895252.db2.gz NYTVDOFIOVWGAT-GFCCVEGCSA-N 1 2 263.366 1.677 20 30 CDEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2nccs2)C[C@H]1C ZINC001206607734 940070717 /nfs/dbraw/zinc/07/07/17/940070717.db2.gz YGTYECLPMGLDQF-VXGBXAGGSA-N 1 2 295.408 1.282 20 30 CDEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2nccs2)C[C@H]1C ZINC001206607734 940070718 /nfs/dbraw/zinc/07/07/18/940070718.db2.gz YGTYECLPMGLDQF-VXGBXAGGSA-N 1 2 295.408 1.282 20 30 CDEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ncccn1)C2 ZINC001207014313 940128597 /nfs/dbraw/zinc/12/85/97/940128597.db2.gz ZLKCWNMTLPNPAX-ZBFHGGJFSA-N 1 2 289.379 1.803 20 30 CDEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ncccn1)C2 ZINC001207014313 940128600 /nfs/dbraw/zinc/12/86/00/940128600.db2.gz ZLKCWNMTLPNPAX-ZBFHGGJFSA-N 1 2 289.379 1.803 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001207205912 940167080 /nfs/dbraw/zinc/16/70/80/940167080.db2.gz LTQQXCCVPNUNSP-UKRRQHHQSA-N 1 2 290.411 1.713 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001207205912 940167082 /nfs/dbraw/zinc/16/70/82/940167082.db2.gz LTQQXCCVPNUNSP-UKRRQHHQSA-N 1 2 290.411 1.713 20 30 CDEDLO C#CC[NH+](CC#C)CCN(CC)C(=O)OC(C)(C)C ZINC001208578271 940342614 /nfs/dbraw/zinc/34/26/14/940342614.db2.gz RDZCGRPXGUWPKO-UHFFFAOYSA-N 1 2 264.369 1.812 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](OCC(=O)c3ccccc3O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001210574080 940699119 /nfs/dbraw/zinc/69/91/19/940699119.db2.gz QSYYIGHOZZZCIS-SHFISYCGSA-N 1 2 289.331 1.204 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](OCC(=O)c3ccccc3O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001210574080 940699120 /nfs/dbraw/zinc/69/91/20/940699120.db2.gz QSYYIGHOZZZCIS-SHFISYCGSA-N 1 2 289.331 1.204 20 30 CDEDLO C=C1CC[NH2+]C[C@H]1Oc1[nH]c(=O)nc2cccc(OC)c21 ZINC001218206212 941044039 /nfs/dbraw/zinc/04/40/39/941044039.db2.gz JSXFMRBYMMLWBB-GFCCVEGCSA-N 1 2 287.319 1.641 20 30 CDEDLO C=C1CC[NH2+]C[C@H]1Oc1[nH]c(=O)nc2ccc(OC)cc21 ZINC001218206639 941044255 /nfs/dbraw/zinc/04/42/55/941044255.db2.gz DOODNWAVHSSKMS-CYBMUJFWSA-N 1 2 287.319 1.641 20 30 CDEDLO C=C1CC[NH2+]C[C@H]1Oc1[nH]c(=O)nc2cccc(F)c21 ZINC001218209391 941044348 /nfs/dbraw/zinc/04/43/48/941044348.db2.gz XURDAPAXUQKWKL-LLVKDONJSA-N 1 2 275.283 1.771 20 30 CDEDLO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1nc2[nH]cnc2c(=S)[nH]1 ZINC001218452455 941220127 /nfs/dbraw/zinc/22/01/27/941220127.db2.gz YLBAACGXYPTWNK-RKDXNWHRSA-N 1 2 291.380 1.717 20 30 CDEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2O)CC1 ZINC001220292240 941433863 /nfs/dbraw/zinc/43/38/63/941433863.db2.gz RJMUXBIOMAUQFX-IVBLRQQYSA-N 1 2 298.814 1.647 20 30 CDEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]2O)CC1 ZINC001220292240 941433864 /nfs/dbraw/zinc/43/38/64/941433864.db2.gz RJMUXBIOMAUQFX-IVBLRQQYSA-N 1 2 298.814 1.647 20 30 CDEDLO C#CCCCC(=O)NC1CC[NH+](Cc2cnns2)CC1 ZINC001227107494 942133536 /nfs/dbraw/zinc/13/35/36/942133536.db2.gz DUWCZXWTEMROHQ-UHFFFAOYSA-N 1 2 292.408 1.422 20 30 CDEDLO O=C(C#CC1CC1)NC1CC[NH+](Cc2nccs2)CC1 ZINC001227232969 942154439 /nfs/dbraw/zinc/15/44/39/942154439.db2.gz NJORRSXLTBWQMT-UHFFFAOYSA-N 1 2 289.404 1.637 20 30 CDEDLO C[C@H](c1ncccn1)[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001227299523 942164828 /nfs/dbraw/zinc/16/48/28/942164828.db2.gz SRUWRXNEAQIOPQ-CYBMUJFWSA-N 1 2 298.390 1.532 20 30 CDEDLO COc1c(F)cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cc1F ZINC001227874329 942239196 /nfs/dbraw/zinc/23/91/96/942239196.db2.gz RCXRJNNVUAPZLS-QCRWRKDUSA-N 1 2 297.301 1.965 20 30 CDEDLO COc1c(F)cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cc1F ZINC001227874329 942239198 /nfs/dbraw/zinc/23/91/98/942239198.db2.gz RCXRJNNVUAPZLS-QCRWRKDUSA-N 1 2 297.301 1.965 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2cc(F)c(C#N)cc2[N+](=O)[O-])C1 ZINC001227879712 942239959 /nfs/dbraw/zinc/23/99/59/942239959.db2.gz UHDPXZSYSKXIQD-JTQLQIEISA-N 1 2 295.270 1.315 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2cc(F)c(C#N)cc2[N+](=O)[O-])C1 ZINC001227879712 942239963 /nfs/dbraw/zinc/23/99/63/942239963.db2.gz UHDPXZSYSKXIQD-JTQLQIEISA-N 1 2 295.270 1.315 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCC ZINC001230634422 942663625 /nfs/dbraw/zinc/66/36/25/942663625.db2.gz XAFSCEAZVDESRD-CHWSQXEVSA-N 1 2 281.400 1.010 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC ZINC001230634422 942663627 /nfs/dbraw/zinc/66/36/27/942663627.db2.gz XAFSCEAZVDESRD-CHWSQXEVSA-N 1 2 281.400 1.010 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1occc1C ZINC001230763000 942691020 /nfs/dbraw/zinc/69/10/20/942691020.db2.gz SUUCVCZUWXUYRU-AWEZNQCLSA-N 1 2 290.363 1.384 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1occc1C ZINC001230763000 942691023 /nfs/dbraw/zinc/69/10/23/942691023.db2.gz SUUCVCZUWXUYRU-AWEZNQCLSA-N 1 2 290.363 1.384 20 30 CDEDLO C#Cc1cccc(C[N@H+]2CC(=O)N3CCC[C@@H]3C2)c1 ZINC001231662086 942965123 /nfs/dbraw/zinc/96/51/23/942965123.db2.gz DPWRHGMXSRUJPG-OAHLLOKOSA-N 1 2 254.333 1.475 20 30 CDEDLO C#Cc1cccc(C[N@@H+]2CC(=O)N3CCC[C@@H]3C2)c1 ZINC001231662086 942965129 /nfs/dbraw/zinc/96/51/29/942965129.db2.gz DPWRHGMXSRUJPG-OAHLLOKOSA-N 1 2 254.333 1.475 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c[nH]c3c2cccc3OC)CC1 ZINC001231899396 943046647 /nfs/dbraw/zinc/04/66/47/943046647.db2.gz NCQTXPZYERKJLU-UHFFFAOYSA-N 1 2 283.375 1.927 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c[nH]c3cc(Cl)ncc23)CC1 ZINC001232823615 943407097 /nfs/dbraw/zinc/40/70/97/943407097.db2.gz FFUFTGJWDOKKGP-UHFFFAOYSA-N 1 2 288.782 1.967 20 30 CDEDLO C=CC[NH+]1CCN(Cc2cc(O)c(F)c(F)c2)CC1 ZINC001232971460 943451285 /nfs/dbraw/zinc/45/12/85/943451285.db2.gz LGFSDDWOGKFNAT-UHFFFAOYSA-N 1 2 268.307 1.974 20 30 CDEDLO Cn1ccc(C2CC[NH+](Cc3[nH]ccc3C#N)CC2)n1 ZINC001233048875 943476446 /nfs/dbraw/zinc/47/64/46/943476446.db2.gz PLOIKSZCHIDCNW-UHFFFAOYSA-N 1 2 269.352 1.999 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1coc(C)c1 ZINC001233866637 943676747 /nfs/dbraw/zinc/67/67/47/943676747.db2.gz SMOJMXIVCIAIOX-HNNXBMFYSA-N 1 2 290.363 1.384 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1coc(C)c1 ZINC001233866637 943676750 /nfs/dbraw/zinc/67/67/50/943676750.db2.gz SMOJMXIVCIAIOX-HNNXBMFYSA-N 1 2 290.363 1.384 20 30 CDEDLO COc1cc(CN(C)CC#N)ccc1-n1cc[nH+]c1 ZINC001234066877 943730959 /nfs/dbraw/zinc/73/09/59/943730959.db2.gz QMDHKWQIYWXCTM-UHFFFAOYSA-N 1 2 256.309 1.836 20 30 CDEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@@H+]1C/C=C\Cl ZINC001234130844 943749837 /nfs/dbraw/zinc/74/98/37/943749837.db2.gz NYRGXYPYZKTPHZ-UKOWJOKBSA-N 1 2 268.788 1.931 20 30 CDEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@H+]1C/C=C\Cl ZINC001234130844 943749840 /nfs/dbraw/zinc/74/98/40/943749840.db2.gz NYRGXYPYZKTPHZ-UKOWJOKBSA-N 1 2 268.788 1.931 20 30 CDEDLO COc1cnc(F)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001234273425 943789431 /nfs/dbraw/zinc/78/94/31/943789431.db2.gz NVJRDBBKAPRRMX-PINQPDRWSA-N 1 2 280.299 1.221 20 30 CDEDLO COc1cnc(F)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001234273425 943789436 /nfs/dbraw/zinc/78/94/36/943789436.db2.gz NVJRDBBKAPRRMX-PINQPDRWSA-N 1 2 280.299 1.221 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NCC ZINC001234604685 943913951 /nfs/dbraw/zinc/91/39/51/943913951.db2.gz SYKQVPJNHJIKBX-ZDUSSCGKSA-N 1 2 281.400 1.012 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NCC ZINC001234604685 943913954 /nfs/dbraw/zinc/91/39/54/943913954.db2.gz SYKQVPJNHJIKBX-ZDUSSCGKSA-N 1 2 281.400 1.012 20 30 CDEDLO C=CC[NH+]1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC001236755366 944558120 /nfs/dbraw/zinc/55/81/20/944558120.db2.gz BNOMSHBQEVEQBU-UHFFFAOYSA-N 1 2 292.379 1.713 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cc(OC)cc(C(=O)OC)c1 ZINC001236764768 944562621 /nfs/dbraw/zinc/56/26/21/944562621.db2.gz KQHLBFSDOIEVKG-UHFFFAOYSA-N 1 2 271.316 1.550 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1C1CCN(C(=O)c2ccccc2)CC1 ZINC001258642549 945383084 /nfs/dbraw/zinc/38/30/84/945383084.db2.gz HRDCQCDRONOTRH-MRXNPFEDSA-N 1 2 298.390 1.089 20 30 CDEDLO CCCCCCCCOC(=O)N1CC[NH2+][C@H](C(N)=O)C1 ZINC001239333822 945419434 /nfs/dbraw/zinc/41/94/34/945419434.db2.gz CCZIAGAUMLIMPO-LBPRGKRZSA-N 1 2 285.388 1.243 20 30 CDEDLO N#C[C@]1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC12CCCC2 ZINC001362365812 971195477 /nfs/dbraw/zinc/19/54/77/971195477.db2.gz IYKXVPGENSBLHD-WBMJQRKESA-N 1 2 284.363 1.788 20 30 CDEDLO Cc1nc[nH]c1C[NH+]1CC2(C[C@H]2C(=O)NC2(C#N)CCC2)C1 ZINC001278353767 946906980 /nfs/dbraw/zinc/90/69/80/946906980.db2.gz QMXXWLDEKMKHTD-LBPRGKRZSA-N 1 2 299.378 1.103 20 30 CDEDLO CN(C)[C@H](C(=O)Nc1cc(CC#N)ccn1)c1c[nH+]cn1C ZINC001362461958 971299390 /nfs/dbraw/zinc/29/93/90/971299390.db2.gz BOWZYFBFFXNJKU-AWEZNQCLSA-N 1 2 298.350 1.123 20 30 CDEDLO CCOC(=O)c1nnc(C[NH2+][C@H]2CC[C@H](C#N)C2)o1 ZINC001254636901 947563575 /nfs/dbraw/zinc/56/35/75/947563575.db2.gz MIWCGPRZQQLIRK-IUCAKERBSA-N 1 2 264.285 1.028 20 30 CDEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(C(=O)c3ccncc3)CC2)C1 ZINC001254674142 947588394 /nfs/dbraw/zinc/58/83/94/947588394.db2.gz UPKDOEZCEBXCLS-HIFRSBDPSA-N 1 2 284.363 1.532 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@H](Oc2nccc(OC)n2)C1 ZINC001255177122 947765502 /nfs/dbraw/zinc/76/55/02/947765502.db2.gz MOARNLYWOOWKJY-RYUDHWBXSA-N 1 2 276.340 1.631 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CC[C@H](Oc2nccc(OC)n2)C1 ZINC001255177122 947765510 /nfs/dbraw/zinc/76/55/10/947765510.db2.gz MOARNLYWOOWKJY-RYUDHWBXSA-N 1 2 276.340 1.631 20 30 CDEDLO C=CC[C@H]([NH3+])c1nc(-c2ccccc2S(C)(=O)=O)no1 ZINC001247963691 948898083 /nfs/dbraw/zinc/89/80/83/948898083.db2.gz SYIPDWIGWBQIAK-JTQLQIEISA-N 1 2 293.348 1.716 20 30 CDEDLO C#Cc1cc(Nc2cnc(OC)cc2OC)cc[nH+]1 ZINC001249903396 949865083 /nfs/dbraw/zinc/86/50/83/949865083.db2.gz ROVFMSHUASHWTM-UHFFFAOYSA-N 1 2 255.277 1.641 20 30 CDEDLO C#CCOC[C@@H](O)CNc1cc(Cl)c2[nH+]ccn2c1 ZINC001251829273 950858247 /nfs/dbraw/zinc/85/82/47/950858247.db2.gz QWZAGLWIYSBOLZ-NSHDSACASA-N 1 2 279.727 1.410 20 30 CDEDLO C=CCOC[C@@H](O)C[NH2+][C@H](CC1CCC1)C(=O)OCC ZINC001252490683 951361499 /nfs/dbraw/zinc/36/14/99/951361499.db2.gz BPQGOFJPMRGSOL-UONOGXRCSA-N 1 2 285.384 1.261 20 30 CDEDLO C=C[C@](C)(O)C[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC001252554618 951446291 /nfs/dbraw/zinc/44/62/91/951446291.db2.gz IQQJORRYGIFAIM-AAEUAGOBSA-N 1 2 251.330 1.842 20 30 CDEDLO C=C[C@](C)(O)C[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC001252554618 951446299 /nfs/dbraw/zinc/44/62/99/951446299.db2.gz IQQJORRYGIFAIM-AAEUAGOBSA-N 1 2 251.330 1.842 20 30 CDEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1C[C@H](O)CCC ZINC001252781932 951632117 /nfs/dbraw/zinc/63/21/17/951632117.db2.gz YKOJLHRKQITGST-TZMCWYRMSA-N 1 2 294.399 1.078 20 30 CDEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1C[C@H](O)CCC ZINC001252781932 951632125 /nfs/dbraw/zinc/63/21/25/951632125.db2.gz YKOJLHRKQITGST-TZMCWYRMSA-N 1 2 294.399 1.078 20 30 CDEDLO C=C[C@H](O)CNc1cc[nH+]c2c(C(=O)OC)cccc12 ZINC001253575102 951961449 /nfs/dbraw/zinc/96/14/49/951961449.db2.gz ZFAWVGGQMCXKLM-JTQLQIEISA-N 1 2 272.304 1.980 20 30 CDEDLO N#Cc1cccc(C(=O)N2CCc3cc[nH+]c(N)c3C2)c1 ZINC001363207131 971979287 /nfs/dbraw/zinc/97/92/87/971979287.db2.gz WRZAXPRRZZDNMO-UHFFFAOYSA-N 1 2 278.315 1.734 20 30 CDEDLO COCC#CC(=O)NCCCCNc1cccc[nH+]1 ZINC001333944842 954051120 /nfs/dbraw/zinc/05/11/20/954051120.db2.gz KEZNWYUXODIUHX-UHFFFAOYSA-N 1 2 261.325 1.040 20 30 CDEDLO CC(C)[C@H]1C(=O)NCC[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001364654862 954967031 /nfs/dbraw/zinc/96/70/31/954967031.db2.gz UIOWGXZCVDGWNB-GJZGRUSLSA-N 1 2 287.363 1.048 20 30 CDEDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001364654862 954967042 /nfs/dbraw/zinc/96/70/42/954967042.db2.gz UIOWGXZCVDGWNB-GJZGRUSLSA-N 1 2 287.363 1.048 20 30 CDEDLO N#CCCN(Cc1ccccn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001328759798 955461824 /nfs/dbraw/zinc/46/18/24/955461824.db2.gz ZLMDUIGIMSXOFE-UHFFFAOYSA-N 1 2 269.308 1.290 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)c3[nH]nnc3C)C2)C1 ZINC001365598636 956195749 /nfs/dbraw/zinc/19/57/49/956195749.db2.gz UJJPBPIAJPHXNS-UHFFFAOYSA-N 1 2 295.774 1.014 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)c3[nH]nnc3C)C2)C1 ZINC001365598636 956195750 /nfs/dbraw/zinc/19/57/50/956195750.db2.gz UJJPBPIAJPHXNS-UHFFFAOYSA-N 1 2 295.774 1.014 20 30 CDEDLO C=CCn1cnnc1SCC[N@H+]1CCOC[C@H]1C ZINC001307274090 956386752 /nfs/dbraw/zinc/38/67/52/956386752.db2.gz SWYREXZCZQULRJ-LLVKDONJSA-N 1 2 268.386 1.277 20 30 CDEDLO C=CCn1cnnc1SCC[N@@H+]1CCOC[C@H]1C ZINC001307274090 956386762 /nfs/dbraw/zinc/38/67/62/956386762.db2.gz SWYREXZCZQULRJ-LLVKDONJSA-N 1 2 268.386 1.277 20 30 CDEDLO Cc1nnn([NH+]=CC2CCC3(CC2)OCCO3)c1C ZINC001330893493 956690743 /nfs/dbraw/zinc/69/07/43/956690743.db2.gz WCGJUVCIYHESDP-UHFFFAOYSA-N 1 2 264.329 1.662 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCc2ccncn2)C1 ZINC001366966079 957307226 /nfs/dbraw/zinc/30/72/26/957307226.db2.gz CEKJUXSNTBPBTF-UHFFFAOYSA-N 1 2 294.786 1.210 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2(COCC)CC2)C1 ZINC001494566642 972258004 /nfs/dbraw/zinc/25/80/04/972258004.db2.gz DSPAEPGQZDIRBV-UHFFFAOYSA-N 1 2 286.803 1.604 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)Cc2cscn2)C1 ZINC001366979568 957314910 /nfs/dbraw/zinc/31/49/10/957314910.db2.gz ZPABOLQHVHTUPT-UHFFFAOYSA-N 1 2 285.800 1.486 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2c(Cl)nc(OC)n2C)CC1 ZINC001332739414 957703119 /nfs/dbraw/zinc/70/31/19/957703119.db2.gz RVSLPZMLKYMOGP-UHFFFAOYSA-N 1 2 299.802 1.985 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CCc2cn[nH]c2)C1 ZINC001494853118 972322753 /nfs/dbraw/zinc/32/27/53/972322753.db2.gz PYDVBGIFTMUMCR-ZDUSSCGKSA-N 1 2 296.802 1.628 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CCc2cn[nH]c2)C1 ZINC001494853118 972322756 /nfs/dbraw/zinc/32/27/56/972322756.db2.gz PYDVBGIFTMUMCR-ZDUSSCGKSA-N 1 2 296.802 1.628 20 30 CDEDLO CC(C)COC[C@H]([NH2+]C[C@H](O)CC#N)c1ccco1 ZINC001333315131 958241456 /nfs/dbraw/zinc/24/14/56/958241456.db2.gz VZYUWVWKNSOORA-OLZOCXBDSA-N 1 2 266.341 1.857 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cc2n(n1)CCO2 ZINC001367807463 958384549 /nfs/dbraw/zinc/38/45/49/958384549.db2.gz VZVXVCDYPDULDK-JTQLQIEISA-N 1 2 298.774 1.078 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc2n(n1)CCO2 ZINC001367807463 958384561 /nfs/dbraw/zinc/38/45/61/958384561.db2.gz VZVXVCDYPDULDK-JTQLQIEISA-N 1 2 298.774 1.078 20 30 CDEDLO C=CCC1(O)CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001334733222 959315493 /nfs/dbraw/zinc/31/54/93/959315493.db2.gz NAHKOFTZEQQANO-CYBMUJFWSA-N 1 2 289.379 1.375 20 30 CDEDLO C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001334949782 959482846 /nfs/dbraw/zinc/48/28/46/959482846.db2.gz YDAKWLDLPZDGAG-OLZOCXBDSA-N 1 2 275.352 1.970 20 30 CDEDLO Cc1ccc(NC(=O)c2cc(C#N)ccn2)c(N(C)C)[nH+]1 ZINC001433448808 960334849 /nfs/dbraw/zinc/33/48/49/960334849.db2.gz YLFVHNPXXQBTDC-UHFFFAOYSA-N 1 2 281.319 1.975 20 30 CDEDLO C#CC[N@H+](CC1CC1)CN1C(=O)C[C@@](C)(CC)C1=O ZINC001336874686 960689875 /nfs/dbraw/zinc/68/98/75/960689875.db2.gz WIHCPHIIUMYFEF-OAHLLOKOSA-N 1 2 262.353 1.464 20 30 CDEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)C[C@@](C)(CC)C1=O ZINC001336874686 960689879 /nfs/dbraw/zinc/68/98/79/960689879.db2.gz WIHCPHIIUMYFEF-OAHLLOKOSA-N 1 2 262.353 1.464 20 30 CDEDLO C#CCN(CC1CC1)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC001324368319 961333916 /nfs/dbraw/zinc/33/39/16/961333916.db2.gz HYIGGBPMZGEPMM-KBPBESRZSA-N 1 2 293.411 1.150 20 30 CDEDLO C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC[N@H+]2C)n1C ZINC001338121476 961645659 /nfs/dbraw/zinc/64/56/59/961645659.db2.gz XBCSDDDGDNYCGQ-MNOVXSKESA-N 1 2 262.361 1.178 20 30 CDEDLO C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC[N@@H+]2C)n1C ZINC001338121476 961645652 /nfs/dbraw/zinc/64/56/52/961645652.db2.gz XBCSDDDGDNYCGQ-MNOVXSKESA-N 1 2 262.361 1.178 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCc2cccnc2)C1 ZINC001436730542 962373183 /nfs/dbraw/zinc/37/31/83/962373183.db2.gz KFGOPGBJNWXJOE-AWEZNQCLSA-N 1 2 293.798 1.957 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCc2cccnc2)C1 ZINC001436730542 962373202 /nfs/dbraw/zinc/37/32/02/962373202.db2.gz KFGOPGBJNWXJOE-AWEZNQCLSA-N 1 2 293.798 1.957 20 30 CDEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)OC ZINC001339484963 962379385 /nfs/dbraw/zinc/37/93/85/962379385.db2.gz IYBADGJDVYHHMZ-LBPRGKRZSA-N 1 2 295.387 1.243 20 30 CDEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)OC ZINC001339484963 962379401 /nfs/dbraw/zinc/37/94/01/962379401.db2.gz IYBADGJDVYHHMZ-LBPRGKRZSA-N 1 2 295.387 1.243 20 30 CDEDLO COCCC(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001420172376 962524069 /nfs/dbraw/zinc/52/40/69/962524069.db2.gz QQSYYMGZQLTHFC-UHFFFAOYSA-N 1 2 275.352 1.143 20 30 CDEDLO COCCC(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001420172376 962524079 /nfs/dbraw/zinc/52/40/79/962524079.db2.gz QQSYYMGZQLTHFC-UHFFFAOYSA-N 1 2 275.352 1.143 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](CC)OCC)C1 ZINC001421110499 963459097 /nfs/dbraw/zinc/45/90/97/963459097.db2.gz GLGQLKUZOCQHSN-LBPRGKRZSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cscn1 ZINC001439303548 963710640 /nfs/dbraw/zinc/71/06/40/963710640.db2.gz JOMJOBPLMSWQTO-SECBINFHSA-N 1 2 273.789 1.946 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cscn1 ZINC001439303548 963710647 /nfs/dbraw/zinc/71/06/47/963710647.db2.gz JOMJOBPLMSWQTO-SECBINFHSA-N 1 2 273.789 1.946 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1c[nH]nc1CC ZINC001442454033 965072264 /nfs/dbraw/zinc/07/22/64/965072264.db2.gz LQGZTAAFRHMDPP-UHFFFAOYSA-N 1 2 270.764 1.386 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1c[nH]nc1CC ZINC001442454033 965072276 /nfs/dbraw/zinc/07/22/76/965072276.db2.gz LQGZTAAFRHMDPP-UHFFFAOYSA-N 1 2 270.764 1.386 20 30 CDEDLO CC[C@H](F)C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001442491839 965092910 /nfs/dbraw/zinc/09/29/10/965092910.db2.gz VKEXDXFEHLCVFY-ZDUSSCGKSA-N 1 2 295.333 1.993 20 30 CDEDLO CC[C@H](F)C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001442491839 965092918 /nfs/dbraw/zinc/09/29/18/965092918.db2.gz VKEXDXFEHLCVFY-ZDUSSCGKSA-N 1 2 295.333 1.993 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H]1CCCOC1)C1CC1 ZINC001442994787 965313151 /nfs/dbraw/zinc/31/31/51/965313151.db2.gz MMGPYRREUUGABB-LBPRGKRZSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1CCCOC1)C1CC1 ZINC001442994787 965313159 /nfs/dbraw/zinc/31/31/59/965313159.db2.gz MMGPYRREUUGABB-LBPRGKRZSA-N 1 2 286.803 1.746 20 30 CDEDLO CON=Cc1ccc(C(=O)NCCc2[nH+]ccn2C)cc1 ZINC001348614104 966092637 /nfs/dbraw/zinc/09/26/37/966092637.db2.gz FCZZGEYTXLHAEL-UHFFFAOYSA-N 1 2 286.335 1.373 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C1(COCC)CC1 ZINC001445769289 966315301 /nfs/dbraw/zinc/31/53/01/966315301.db2.gz UAEVLHXFJLKNGH-GFCCVEGCSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C1(COCC)CC1 ZINC001445769289 966315310 /nfs/dbraw/zinc/31/53/10/966315310.db2.gz UAEVLHXFJLKNGH-GFCCVEGCSA-N 1 2 288.819 1.992 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001351995202 967048789 /nfs/dbraw/zinc/04/87/89/967048789.db2.gz PJPNUUMPTKWLON-HUUCEWRRSA-N 1 2 296.459 1.666 20 30 CDEDLO C=CC(C)(C)CNC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001527687077 968721394 /nfs/dbraw/zinc/72/13/94/968721394.db2.gz OZLNKFBHFJNLMO-CYBMUJFWSA-N 1 2 282.432 1.134 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)NCCc1[nH+]ccn1C ZINC001522020193 970386022 /nfs/dbraw/zinc/38/60/22/970386022.db2.gz STMMPFWACWIJGT-UHFFFAOYSA-N 1 2 258.281 1.166 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1csc(=O)[nH]1 ZINC001372404400 972946412 /nfs/dbraw/zinc/94/64/12/972946412.db2.gz TYCKKJUCDOJMJA-UHFFFAOYSA-N 1 2 289.788 1.653 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1csc(=O)[nH]1 ZINC001372404400 972946418 /nfs/dbraw/zinc/94/64/18/972946418.db2.gz TYCKKJUCDOJMJA-UHFFFAOYSA-N 1 2 289.788 1.653 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H](CC)NC(C)=O ZINC001372425857 972950937 /nfs/dbraw/zinc/95/09/37/972950937.db2.gz HZVWGEONPLFQPZ-GFCCVEGCSA-N 1 2 289.807 1.092 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H](CC)NC(C)=O ZINC001372425857 972950945 /nfs/dbraw/zinc/95/09/45/972950945.db2.gz HZVWGEONPLFQPZ-GFCCVEGCSA-N 1 2 289.807 1.092 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@H](C)COC)C1 ZINC001373543548 973484588 /nfs/dbraw/zinc/48/45/88/973484588.db2.gz KKPLRWFBEWTHJB-JTQLQIEISA-N 1 2 274.792 1.460 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)COc1cccnc1 ZINC001506021264 975088021 /nfs/dbraw/zinc/08/80/21/975088021.db2.gz DTMVNWLYTYTICR-LBPRGKRZSA-N 1 2 297.786 1.649 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)COc1cccnc1 ZINC001506021264 975088023 /nfs/dbraw/zinc/08/80/23/975088023.db2.gz DTMVNWLYTYTICR-LBPRGKRZSA-N 1 2 297.786 1.649 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CC(F)(F)F)C1 ZINC001404869049 975519767 /nfs/dbraw/zinc/51/97/67/975519767.db2.gz BQWXNZOQOOPKII-UHFFFAOYSA-N 1 2 270.682 1.739 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccnn1C ZINC001379028945 975605953 /nfs/dbraw/zinc/60/59/53/975605953.db2.gz SURNPUYAOMSHLV-UHFFFAOYSA-N 1 2 270.764 1.176 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccnn1C ZINC001379028945 975605959 /nfs/dbraw/zinc/60/59/59/975605959.db2.gz SURNPUYAOMSHLV-UHFFFAOYSA-N 1 2 270.764 1.176 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cn(CCC)nn1 ZINC001379120317 975676824 /nfs/dbraw/zinc/67/68/24/975676824.db2.gz UQSWISFNJUUMAA-UHFFFAOYSA-N 1 2 299.806 1.444 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cn(CCC)nn1 ZINC001379120317 975676826 /nfs/dbraw/zinc/67/68/26/975676826.db2.gz UQSWISFNJUUMAA-UHFFFAOYSA-N 1 2 299.806 1.444 20 30 CDEDLO C[N@H+](CCNC(=O)[C@H]1CCOC1)Cc1ccccc1C#N ZINC001403516488 977014734 /nfs/dbraw/zinc/01/47/34/977014734.db2.gz GEMZTONSBUDGKG-HNNXBMFYSA-N 1 2 287.363 1.143 20 30 CDEDLO C[N@@H+](CCNC(=O)[C@H]1CCOC1)Cc1ccccc1C#N ZINC001403516488 977014747 /nfs/dbraw/zinc/01/47/47/977014747.db2.gz GEMZTONSBUDGKG-HNNXBMFYSA-N 1 2 287.363 1.143 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)COCC2CC2)C1 ZINC001400703816 977145352 /nfs/dbraw/zinc/14/53/52/977145352.db2.gz PEQDFIRKWBKNFE-CYBMUJFWSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)COCC2CC2)C1 ZINC001400703816 977145357 /nfs/dbraw/zinc/14/53/57/977145357.db2.gz PEQDFIRKWBKNFE-CYBMUJFWSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)CCc1cn[nH]n1 ZINC001393633619 977876786 /nfs/dbraw/zinc/87/67/86/977876786.db2.gz PXQCXDQSKYNMKF-UHFFFAOYSA-N 1 2 299.806 1.270 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)CCc1cn[nH]n1 ZINC001393633619 977876797 /nfs/dbraw/zinc/87/67/97/977876797.db2.gz PXQCXDQSKYNMKF-UHFFFAOYSA-N 1 2 299.806 1.270 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)CCc1c[nH]nn1 ZINC001393633619 977876807 /nfs/dbraw/zinc/87/68/07/977876807.db2.gz PXQCXDQSKYNMKF-UHFFFAOYSA-N 1 2 299.806 1.270 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)CCc1c[nH]nn1 ZINC001393633619 977876832 /nfs/dbraw/zinc/87/68/32/977876832.db2.gz PXQCXDQSKYNMKF-UHFFFAOYSA-N 1 2 299.806 1.270 20 30 CDEDLO C=CCCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(N)=O)C2)CC1 ZINC001132290186 1163233672 /nfs/dbraw/zinc/23/36/72/1163233672.db2.gz BDZWSTBYMGRUBM-OLZOCXBDSA-N 1 2 293.411 1.187 20 30 CDEDLO C=CCCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(N)=O)C2)CC1 ZINC001132290186 1163233677 /nfs/dbraw/zinc/23/36/77/1163233677.db2.gz BDZWSTBYMGRUBM-OLZOCXBDSA-N 1 2 293.411 1.187 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[NH2+][C@H](C)c2nc(C)no2)C1 ZINC001133571468 1163791780 /nfs/dbraw/zinc/79/17/80/1163791780.db2.gz SHKIIIWWXRADPE-SNVBAGLBSA-N 1 2 278.356 1.501 20 30 CDEDLO N#Cc1cccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000589455358 342506185 /nfs/dbraw/zinc/50/61/85/342506185.db2.gz ONBCTUNYJGDOHP-ZDUSSCGKSA-N 1 2 293.330 1.357 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)Nc1n[nH]c(C2CC2)c1C#N ZINC000290353850 342531017 /nfs/dbraw/zinc/53/10/17/342531017.db2.gz GDFIIFNUSYGNPD-UHFFFAOYSA-N 1 2 284.323 1.464 20 30 CDEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CC(C#N)C1 ZINC000590484987 342563661 /nfs/dbraw/zinc/56/36/61/342563661.db2.gz WIBRACXRWCTOBU-UHFFFAOYSA-N 1 2 268.320 1.581 20 30 CDEDLO CCC[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000564989230 365546951 /nfs/dbraw/zinc/54/69/51/365546951.db2.gz VVINDRXTRYGWIS-CQSZACIVSA-N 1 2 285.351 1.602 20 30 CDEDLO CCC[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000564989230 365546959 /nfs/dbraw/zinc/54/69/59/365546959.db2.gz VVINDRXTRYGWIS-CQSZACIVSA-N 1 2 285.351 1.602 20 30 CDEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CCC1 ZINC000290264419 365569189 /nfs/dbraw/zinc/56/91/89/365569189.db2.gz KYFKCWNQVICQMI-UHFFFAOYSA-N 1 2 279.365 1.211 20 30 CDEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CCC1 ZINC000290264419 365569196 /nfs/dbraw/zinc/56/91/96/365569196.db2.gz KYFKCWNQVICQMI-UHFFFAOYSA-N 1 2 279.365 1.211 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000087833279 361777618 /nfs/dbraw/zinc/77/76/18/361777618.db2.gz UMCRMMFIJCDERW-AWEZNQCLSA-N 1 2 287.363 1.667 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000087833279 361777621 /nfs/dbraw/zinc/77/76/21/361777621.db2.gz UMCRMMFIJCDERW-AWEZNQCLSA-N 1 2 287.363 1.667 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N1CCc2[nH+]c[nH]c2C1 ZINC000590602927 342577795 /nfs/dbraw/zinc/57/77/95/342577795.db2.gz YHMBASOSXAOELI-OAHLLOKOSA-N 1 2 296.330 1.554 20 30 CDEDLO N#CCN(C(=O)c1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000609156472 342092636 /nfs/dbraw/zinc/09/26/36/342092636.db2.gz PCKCSHLOOBRPJE-UHFFFAOYSA-N 1 2 299.374 1.647 20 30 CDEDLO COc1ccc[nH+]c1N1CCN(c2ccc(C#N)cn2)CC1 ZINC000609288433 342100554 /nfs/dbraw/zinc/10/05/54/342100554.db2.gz VRBDNUUCTHJEHP-UHFFFAOYSA-N 1 2 295.346 1.683 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1csc(CC)n1 ZINC000111377090 342612275 /nfs/dbraw/zinc/61/22/75/342612275.db2.gz UWJVIKAJSIAJIZ-VHSXEESVSA-N 1 2 265.382 1.494 20 30 CDEDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC(=O)NCC#N ZINC000611555349 346822990 /nfs/dbraw/zinc/82/29/90/346822990.db2.gz YXNWLRXMVMCETL-DTWKUNHWSA-N 1 2 263.263 1.289 20 30 CDEDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC(=O)NCC#N ZINC000611555349 346822994 /nfs/dbraw/zinc/82/29/94/346822994.db2.gz YXNWLRXMVMCETL-DTWKUNHWSA-N 1 2 263.263 1.289 20 30 CDEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000198781855 342634549 /nfs/dbraw/zinc/63/45/49/342634549.db2.gz HRHIIDRUUSITML-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO COc1c(C)ccc(NC[C@@H](O)C[N@H+](C)CCC#N)c1C ZINC000591773657 342646200 /nfs/dbraw/zinc/64/62/00/342646200.db2.gz ZJEKCBWVVZRRNC-CQSZACIVSA-N 1 2 291.395 1.930 20 30 CDEDLO COc1c(C)ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c1C ZINC000591773657 342646201 /nfs/dbraw/zinc/64/62/01/342646201.db2.gz ZJEKCBWVVZRRNC-CQSZACIVSA-N 1 2 291.395 1.930 20 30 CDEDLO Cc1cc(NCC(=O)NC2CCCC2)c(C#N)c[nH+]1 ZINC000591818815 342647261 /nfs/dbraw/zinc/64/72/61/342647261.db2.gz KLARVMLTFJKDIF-UHFFFAOYSA-N 1 2 258.325 1.154 20 30 CDEDLO Cc1cc(NC2CCN(CC(F)F)CC2)c(C#N)c[nH+]1 ZINC000591818810 342647360 /nfs/dbraw/zinc/64/73/60/342647360.db2.gz GVPWLSWJKLNYNG-UHFFFAOYSA-N 1 2 280.322 1.825 20 30 CDEDLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592146964 342673632 /nfs/dbraw/zinc/67/36/32/342673632.db2.gz HGRVHOMCRPYZMN-BBRMVZONSA-N 1 2 287.363 1.673 20 30 CDEDLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592146964 342673634 /nfs/dbraw/zinc/67/36/34/342673634.db2.gz HGRVHOMCRPYZMN-BBRMVZONSA-N 1 2 287.363 1.673 20 30 CDEDLO CCc1nc(C[N@@H+]2CC[C@](O)(CC#N)C2)cs1 ZINC000592146804 342673774 /nfs/dbraw/zinc/67/37/74/342673774.db2.gz GHRUMILNYRCCQW-GFCCVEGCSA-N 1 2 251.355 1.556 20 30 CDEDLO CCc1nc(C[N@H+]2CC[C@](O)(CC#N)C2)cs1 ZINC000592146804 342673775 /nfs/dbraw/zinc/67/37/75/342673775.db2.gz GHRUMILNYRCCQW-GFCCVEGCSA-N 1 2 251.355 1.556 20 30 CDEDLO COc1ccc(F)cc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592146775 342673804 /nfs/dbraw/zinc/67/38/04/342673804.db2.gz KHWBRXMJGFSGPB-CQSZACIVSA-N 1 2 264.300 1.685 20 30 CDEDLO COc1ccc(F)cc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592146775 342673806 /nfs/dbraw/zinc/67/38/06/342673806.db2.gz KHWBRXMJGFSGPB-CQSZACIVSA-N 1 2 264.300 1.685 20 30 CDEDLO C[C@H]1CSCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000070219805 361836543 /nfs/dbraw/zinc/83/65/43/361836543.db2.gz AWVHQZUMSSZEKH-NSHDSACASA-N 1 2 275.377 1.934 20 30 CDEDLO C[C@H]1CSCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000070219805 361836547 /nfs/dbraw/zinc/83/65/47/361836547.db2.gz AWVHQZUMSSZEKH-NSHDSACASA-N 1 2 275.377 1.934 20 30 CDEDLO N#CC[C@@]1(O)CCN(Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000592151175 342668803 /nfs/dbraw/zinc/66/88/03/342668803.db2.gz NRQVRWWOJZWJSO-LLVKDONJSA-N 1 2 288.273 1.296 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2nncn2-c2ccccc2)C1 ZINC000592154213 342669654 /nfs/dbraw/zinc/66/96/54/342669654.db2.gz RRTQQFSBGVEAGD-OAHLLOKOSA-N 1 2 283.335 1.118 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2nncn2-c2ccccc2)C1 ZINC000592154213 342669656 /nfs/dbraw/zinc/66/96/56/342669656.db2.gz RRTQQFSBGVEAGD-OAHLLOKOSA-N 1 2 283.335 1.118 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCc2[nH+]c[nH]c2C1 ZINC000625437518 342161849 /nfs/dbraw/zinc/16/18/49/342161849.db2.gz HLQCMRXSGUEYRA-GFCCVEGCSA-N 1 2 276.384 1.581 20 30 CDEDLO Cc1cc(NCCNC(=O)[C@@H](C)C#N)nc(C(C)C)[nH+]1 ZINC000600364035 342159248 /nfs/dbraw/zinc/15/92/48/342159248.db2.gz FINZBPFMZSSBFZ-JTQLQIEISA-N 1 2 275.356 1.018 20 30 CDEDLO CCOC(=O)C[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000087832720 361844802 /nfs/dbraw/zinc/84/48/02/361844802.db2.gz CXXFKFWJBWUPTL-UHFFFAOYSA-N 1 2 262.309 1.562 20 30 CDEDLO CCOC(=O)C[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000087832720 361844805 /nfs/dbraw/zinc/84/48/05/361844805.db2.gz CXXFKFWJBWUPTL-UHFFFAOYSA-N 1 2 262.309 1.562 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)[C@@H](CC)CO1 ZINC000593057156 342760468 /nfs/dbraw/zinc/76/04/68/342760468.db2.gz CLDKMAQUPOOQFW-LZWOXQAQSA-N 1 2 293.411 1.684 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)[C@@H](CC)CO1 ZINC000593057156 342760469 /nfs/dbraw/zinc/76/04/69/342760469.db2.gz CLDKMAQUPOOQFW-LZWOXQAQSA-N 1 2 293.411 1.684 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1occ2c1CCC2 ZINC000593153034 342773851 /nfs/dbraw/zinc/77/38/51/342773851.db2.gz FDJNFGFIPHEXOU-AWEZNQCLSA-N 1 2 261.325 1.342 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC000593153383 342774151 /nfs/dbraw/zinc/77/41/51/342774151.db2.gz ZEDHLGHXQFEUQH-HIFRSBDPSA-N 1 2 275.327 1.425 20 30 CDEDLO CC[C@H](C#N)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000593395530 342794676 /nfs/dbraw/zinc/79/46/76/342794676.db2.gz YMTPFHBHKQAGCC-LLVKDONJSA-N 1 2 256.309 1.543 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000594007961 342862947 /nfs/dbraw/zinc/86/29/47/342862947.db2.gz FQWPOIPJMCIQHQ-GFCCVEGCSA-N 1 2 266.366 1.872 20 30 CDEDLO C[C@@H](CNc1cnccc1C#N)[NH+]1CCN(C)CC1 ZINC000094154130 342236649 /nfs/dbraw/zinc/23/66/49/342236649.db2.gz VXPPYBISNCVDEO-LBPRGKRZSA-N 1 2 259.357 1.001 20 30 CDEDLO C=C[C@@H](O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000666849472 539083564 /nfs/dbraw/zinc/08/35/64/539083564.db2.gz RSODQDFYHWSROY-CQSZACIVSA-N 1 2 276.336 1.004 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccccc1CC#N ZINC000600959437 342272487 /nfs/dbraw/zinc/27/24/87/342272487.db2.gz WTLVEMXTYCMRLF-UHFFFAOYSA-N 1 2 268.320 1.758 20 30 CDEDLO CC#CC[NH2+]Cc1cn(-c2ccc(C(=O)OC)cc2)nn1 ZINC000594644162 342940029 /nfs/dbraw/zinc/94/00/29/342940029.db2.gz CJJHRLMFPHWUOY-UHFFFAOYSA-N 1 2 284.319 1.167 20 30 CDEDLO Cc1cn2ccc(NC(=O)C(=O)NCC3(C#N)CC3)cc2[nH+]1 ZINC000595026413 342996573 /nfs/dbraw/zinc/99/65/73/342996573.db2.gz LUOWAQOPYTVVPS-UHFFFAOYSA-N 1 2 297.318 1.001 20 30 CDEDLO C#CC[NH+](CC#C)C[C@H](O)COc1cccc(C(C)=O)c1 ZINC000076185236 342319949 /nfs/dbraw/zinc/31/99/49/342319949.db2.gz ASBOTEAMIPZBLF-INIZCTEOSA-N 1 2 285.343 1.197 20 30 CDEDLO CC(C)(CC#N)CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595650266 343117231 /nfs/dbraw/zinc/11/72/31/343117231.db2.gz VYWIMOBBHIAKIF-ZDUSSCGKSA-N 1 2 294.399 1.042 20 30 CDEDLO Cc1nnc(C[N@H+](C)CCCSCC#N)s1 ZINC000595885878 343180710 /nfs/dbraw/zinc/18/07/10/343180710.db2.gz PRZRUNDJKFYKQN-UHFFFAOYSA-N 1 2 256.400 1.925 20 30 CDEDLO Cc1nnc(C[N@@H+](C)CCCSCC#N)s1 ZINC000595885878 343180711 /nfs/dbraw/zinc/18/07/11/343180711.db2.gz PRZRUNDJKFYKQN-UHFFFAOYSA-N 1 2 256.400 1.925 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595781267 343154148 /nfs/dbraw/zinc/15/41/48/343154148.db2.gz CDGMASWQVPKIGZ-KBPBESRZSA-N 1 2 267.369 1.995 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H]3C[C@@H]3C2)nc1 ZINC000595809543 343160105 /nfs/dbraw/zinc/16/01/05/343160105.db2.gz GYDGZIQRQJDYCX-CHWSQXEVSA-N 1 2 291.376 1.069 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H]3C[C@@H]3C2)nc1 ZINC000595809543 343160106 /nfs/dbraw/zinc/16/01/06/343160106.db2.gz GYDGZIQRQJDYCX-CHWSQXEVSA-N 1 2 291.376 1.069 20 30 CDEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000081039618 342363296 /nfs/dbraw/zinc/36/32/96/342363296.db2.gz VHILIFQWVQSZGN-CYBMUJFWSA-N 1 2 251.374 1.869 20 30 CDEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000081039618 342363297 /nfs/dbraw/zinc/36/32/97/342363297.db2.gz VHILIFQWVQSZGN-CYBMUJFWSA-N 1 2 251.374 1.869 20 30 CDEDLO COC(=O)c1cccc(C[N@H+](C)CCn2cccn2)c1C#N ZINC000535206541 282245827 /nfs/dbraw/zinc/24/58/27/282245827.db2.gz NNUDOOKMUJGKSW-UHFFFAOYSA-N 1 2 298.346 1.673 20 30 CDEDLO COC(=O)c1cccc(C[N@@H+](C)CCn2cccn2)c1C#N ZINC000535206541 282245830 /nfs/dbraw/zinc/24/58/30/282245830.db2.gz NNUDOOKMUJGKSW-UHFFFAOYSA-N 1 2 298.346 1.673 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)NCC(C)(C)CC#N)[C@H](C)CO1 ZINC000596624325 343359726 /nfs/dbraw/zinc/35/97/26/343359726.db2.gz QXYHNEJBFJQFRN-CHWSQXEVSA-N 1 2 296.415 1.335 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCC(C)(C)CC#N)[C@H](C)CO1 ZINC000596624325 343359728 /nfs/dbraw/zinc/35/97/28/343359728.db2.gz QXYHNEJBFJQFRN-CHWSQXEVSA-N 1 2 296.415 1.335 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000093261117 342424794 /nfs/dbraw/zinc/42/47/94/342424794.db2.gz BSZDUMKULMMDLS-UHFFFAOYSA-N 1 2 295.770 1.776 20 30 CDEDLO CCN1CC[NH+]([C@H]2CCN(c3cnccc3C#N)C2)CC1 ZINC000094156626 342430177 /nfs/dbraw/zinc/43/01/77/342430177.db2.gz VWCVVNXVVLGJJK-HNNXBMFYSA-N 1 2 285.395 1.169 20 30 CDEDLO C=CCOC[C@@H](NCc1[nH+]ccn1C(C)C)C(=O)OC ZINC000597117344 343458213 /nfs/dbraw/zinc/45/82/13/343458213.db2.gz OKQWXMGLKAEQFE-GFCCVEGCSA-N 1 2 281.356 1.298 20 30 CDEDLO C=C[C@H]([NH2+]CCCN1CCc2ccccc21)C(=O)OC ZINC000619700031 349856732 /nfs/dbraw/zinc/85/67/32/349856732.db2.gz KVSNNFNWAJMHTC-AWEZNQCLSA-N 1 2 274.364 1.756 20 30 CDEDLO C[C@@H](NC(=O)Cc1cccc(C#N)c1)c1[nH+]ccn1C ZINC000598466351 343807091 /nfs/dbraw/zinc/80/70/91/343807091.db2.gz ZBUXHCARMVNKRV-LLVKDONJSA-N 1 2 268.320 1.712 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@@H+]1CC(=O)NCC1(C)C ZINC000619724023 349873356 /nfs/dbraw/zinc/87/33/56/349873356.db2.gz JULCSDUAVOZYDW-UHFFFAOYSA-N 1 2 257.337 1.577 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@H+]1CC(=O)NCC1(C)C ZINC000619724023 349873360 /nfs/dbraw/zinc/87/33/60/349873360.db2.gz JULCSDUAVOZYDW-UHFFFAOYSA-N 1 2 257.337 1.577 20 30 CDEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598591916 343837997 /nfs/dbraw/zinc/83/79/97/343837997.db2.gz FQMVLKLKOLMTLN-QPSSLKIMSA-N 1 2 272.414 1.128 20 30 CDEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598591916 343837998 /nfs/dbraw/zinc/83/79/98/343837998.db2.gz FQMVLKLKOLMTLN-QPSSLKIMSA-N 1 2 272.414 1.128 20 30 CDEDLO CNc1[nH+]cnc2c1cnn2C[C@@H](O)CC(C)(C)C#N ZINC000598701835 343889612 /nfs/dbraw/zinc/88/96/12/343889612.db2.gz NLNPIZBLZIDBMB-VIFPVBQESA-N 1 2 274.328 1.169 20 30 CDEDLO CCOC[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000612104490 347019919 /nfs/dbraw/zinc/01/99/19/347019919.db2.gz VECKMLCJUCHYCT-HNNXBMFYSA-N 1 2 290.363 1.763 20 30 CDEDLO CCOC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000612104490 347019921 /nfs/dbraw/zinc/01/99/21/347019921.db2.gz VECKMLCJUCHYCT-HNNXBMFYSA-N 1 2 290.363 1.763 20 30 CDEDLO N#CCC[N@H+](Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC000599397432 344041876 /nfs/dbraw/zinc/04/18/76/344041876.db2.gz JPJJNKXZNJBHCY-OAHLLOKOSA-N 1 2 260.337 1.554 20 30 CDEDLO N#CCC[N@@H+](Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC000599397432 344041878 /nfs/dbraw/zinc/04/18/78/344041878.db2.gz JPJJNKXZNJBHCY-OAHLLOKOSA-N 1 2 260.337 1.554 20 30 CDEDLO N#Cc1cccc(CN2CCc3[nH+]c[nH]c3C2)c1F ZINC000599423458 344053423 /nfs/dbraw/zinc/05/34/23/344053423.db2.gz YIESCJDWLUOJBI-UHFFFAOYSA-N 1 2 256.284 1.979 20 30 CDEDLO N#CCC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601853662 344272093 /nfs/dbraw/zinc/27/20/93/344272093.db2.gz BAHFXZXWAXWNOB-UHFFFAOYSA-N 1 2 276.365 1.165 20 30 CDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1c[nH+]cn1C ZINC000290949491 344283394 /nfs/dbraw/zinc/28/33/94/344283394.db2.gz BANSKWVMLWPYGO-LLVKDONJSA-N 1 2 284.319 1.375 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000602334411 344403371 /nfs/dbraw/zinc/40/33/71/344403371.db2.gz RHQTZQZGOKESFA-HWMZRRJGSA-N 1 2 283.375 1.532 20 30 CDEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CC1(CC#N)CC1 ZINC000602788907 344600872 /nfs/dbraw/zinc/60/08/72/344600872.db2.gz XXWSVKBNZQQMCA-MNOVXSKESA-N 1 2 258.387 1.434 20 30 CDEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)CC1(CC#N)CC1 ZINC000602788907 344600874 /nfs/dbraw/zinc/60/08/74/344600874.db2.gz XXWSVKBNZQQMCA-MNOVXSKESA-N 1 2 258.387 1.434 20 30 CDEDLO CNC(=O)c1cc(O[C@H]2CCC[N@H+](CCC#N)C2)ccn1 ZINC000602864284 344637655 /nfs/dbraw/zinc/63/76/55/344637655.db2.gz QHYDOEQACZUHMJ-ZDUSSCGKSA-N 1 2 288.351 1.198 20 30 CDEDLO CNC(=O)c1cc(O[C@H]2CCC[N@@H+](CCC#N)C2)ccn1 ZINC000602864284 344637657 /nfs/dbraw/zinc/63/76/57/344637657.db2.gz QHYDOEQACZUHMJ-ZDUSSCGKSA-N 1 2 288.351 1.198 20 30 CDEDLO Cc1ccc(CN(C(=O)C[NH2+][C@H](C)CC#N)C2CC2)o1 ZINC000602865133 344638264 /nfs/dbraw/zinc/63/82/64/344638264.db2.gz WLFOAVPDDVDYRK-LLVKDONJSA-N 1 2 275.352 1.971 20 30 CDEDLO COC(=O)c1cc(C[NH2+][C@@H](C)CC#N)cc(C(=O)OC)c1 ZINC000602868010 344639349 /nfs/dbraw/zinc/63/93/49/344639349.db2.gz GWUIAUGRPFXVNI-JTQLQIEISA-N 1 2 290.319 1.652 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCSC(C)C)nn1 ZINC000603217036 344746098 /nfs/dbraw/zinc/74/60/98/344746098.db2.gz YFRSRLRRVSTTCX-UHFFFAOYSA-N 1 2 252.387 1.533 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603220924 344748144 /nfs/dbraw/zinc/74/81/44/344748144.db2.gz XNFNBAGEHGWTMF-LBPRGKRZSA-N 1 2 299.334 1.909 20 30 CDEDLO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167699 347066095 /nfs/dbraw/zinc/06/60/95/347066095.db2.gz UXSJGCZGJSVFLB-DOMZBBRYSA-N 1 2 294.399 1.482 20 30 CDEDLO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167699 347066097 /nfs/dbraw/zinc/06/60/97/347066097.db2.gz UXSJGCZGJSVFLB-DOMZBBRYSA-N 1 2 294.399 1.482 20 30 CDEDLO C=CC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000604881025 344943443 /nfs/dbraw/zinc/94/34/43/344943443.db2.gz MXEBOQRBUGZYNO-SNVBAGLBSA-N 1 2 257.297 1.357 20 30 CDEDLO CCOCC[N@H+](C)Cc1cccc(C(=O)OC)c1C#N ZINC000537856766 282387927 /nfs/dbraw/zinc/38/79/27/282387927.db2.gz LCUMEKUYXODOKE-UHFFFAOYSA-N 1 2 276.336 1.813 20 30 CDEDLO CCOCC[N@@H+](C)Cc1cccc(C(=O)OC)c1C#N ZINC000537856766 282387929 /nfs/dbraw/zinc/38/79/29/282387929.db2.gz LCUMEKUYXODOKE-UHFFFAOYSA-N 1 2 276.336 1.813 20 30 CDEDLO Cc1nc(C[N@H+]2CCCN(C(=O)[C@H](C)C#N)CC2)oc1C ZINC000609921318 346041098 /nfs/dbraw/zinc/04/10/98/346041098.db2.gz IDXVUUCDCMPPAJ-LLVKDONJSA-N 1 2 290.367 1.485 20 30 CDEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)[C@H](C)C#N)CC2)oc1C ZINC000609921318 346041099 /nfs/dbraw/zinc/04/10/99/346041099.db2.gz IDXVUUCDCMPPAJ-LLVKDONJSA-N 1 2 290.367 1.485 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@]23CCNC3=O)c1 ZINC000584663352 346385065 /nfs/dbraw/zinc/38/50/65/346385065.db2.gz ZSFIVSKCPCHGES-HNNXBMFYSA-N 1 2 273.311 1.552 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@]23CCNC3=O)c1 ZINC000584663352 346385067 /nfs/dbraw/zinc/38/50/67/346385067.db2.gz ZSFIVSKCPCHGES-HNNXBMFYSA-N 1 2 273.311 1.552 20 30 CDEDLO COC(=O)[C@H](COC(C)C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000610826492 346457526 /nfs/dbraw/zinc/45/75/26/346457526.db2.gz FQZBYGCIANDRHG-HNNXBMFYSA-N 1 2 290.363 1.957 20 30 CDEDLO COC(=O)[C@H](COC(C)C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000610826492 346457531 /nfs/dbraw/zinc/45/75/31/346457531.db2.gz FQZBYGCIANDRHG-HNNXBMFYSA-N 1 2 290.363 1.957 20 30 CDEDLO CC[N@H+](CC[C@@H]1CCS(=O)(=O)C1)C[C@H](C)C#N ZINC000611170519 346628725 /nfs/dbraw/zinc/62/87/25/346628725.db2.gz YNSJBYGXTFDDDH-VXGBXAGGSA-N 1 2 258.387 1.293 20 30 CDEDLO CC[N@@H+](CC[C@@H]1CCS(=O)(=O)C1)C[C@H](C)C#N ZINC000611170519 346628727 /nfs/dbraw/zinc/62/87/27/346628727.db2.gz YNSJBYGXTFDDDH-VXGBXAGGSA-N 1 2 258.387 1.293 20 30 CDEDLO CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611175384 346631172 /nfs/dbraw/zinc/63/11/72/346631172.db2.gz XNSYGTSUHNSHSB-HNNXBMFYSA-N 1 2 294.443 1.411 20 30 CDEDLO N#CCCN1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000611175421 346631227 /nfs/dbraw/zinc/63/12/27/346631227.db2.gz XXOPUYHGLLDZHI-UHFFFAOYSA-N 1 2 265.279 1.097 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(C#N)CC1 ZINC000057907883 347119750 /nfs/dbraw/zinc/11/97/50/347119750.db2.gz ZOXRGQNJGUZDGB-DOMZBBRYSA-N 1 2 276.384 1.665 20 30 CDEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC3(C#N)CCC3)[C@H]2C1 ZINC000450618764 362839212 /nfs/dbraw/zinc/83/92/12/362839212.db2.gz IJYYHPAMFSZHBI-HZSPNIEDSA-N 1 2 264.369 1.949 20 30 CDEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC3(C#N)CCC3)[C@H]2C1 ZINC000450618764 362839218 /nfs/dbraw/zinc/83/92/18/362839218.db2.gz IJYYHPAMFSZHBI-HZSPNIEDSA-N 1 2 264.369 1.949 20 30 CDEDLO CC#CCC[N@@H+](CCOC)CC(=O)OC(C)(C)C ZINC000613170729 347442388 /nfs/dbraw/zinc/44/23/88/347442388.db2.gz NWAKJAXRVDAQHC-UHFFFAOYSA-N 1 2 255.358 1.690 20 30 CDEDLO CC#CCC[N@H+](CCOC)CC(=O)OC(C)(C)C ZINC000613170729 347442390 /nfs/dbraw/zinc/44/23/90/347442390.db2.gz NWAKJAXRVDAQHC-UHFFFAOYSA-N 1 2 255.358 1.690 20 30 CDEDLO CCOc1ccc(OC[C@H](O)C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000066470537 347488808 /nfs/dbraw/zinc/48/88/08/347488808.db2.gz KKHSGRKGFLJPPE-UONOGXRCSA-N 1 2 292.379 1.916 20 30 CDEDLO CCOc1ccc(OC[C@H](O)C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000066470537 347488810 /nfs/dbraw/zinc/48/88/10/347488810.db2.gz KKHSGRKGFLJPPE-UONOGXRCSA-N 1 2 292.379 1.916 20 30 CDEDLO C=C[C@H]([NH2+]CCCOCC1CCOCC1)C(=O)OC ZINC000619702998 347944261 /nfs/dbraw/zinc/94/42/61/347944261.db2.gz VFTOXJFWGIRQGV-ZDUSSCGKSA-N 1 2 271.357 1.137 20 30 CDEDLO COc1cc(OC)cc(OC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000414119201 362926417 /nfs/dbraw/zinc/92/64/17/362926417.db2.gz CKIWVJOPYSZCLH-LBPRGKRZSA-N 1 2 294.351 1.289 20 30 CDEDLO COc1cc(OC)cc(OC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414119201 362926421 /nfs/dbraw/zinc/92/64/21/362926421.db2.gz CKIWVJOPYSZCLH-LBPRGKRZSA-N 1 2 294.351 1.289 20 30 CDEDLO CC(C)OCCCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000564872921 348445696 /nfs/dbraw/zinc/44/56/96/348445696.db2.gz YRGQSGJEJPDYGO-ZDUSSCGKSA-N 1 2 255.362 1.152 20 30 CDEDLO Cc1nc(C(=O)NCc2ccc[nH+]c2N(C)C)ccc1C#N ZINC000032690312 348694855 /nfs/dbraw/zinc/69/48/55/348694855.db2.gz ZGEUAMVGFVXNFX-UHFFFAOYSA-N 1 2 295.346 1.653 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2CCN(CC)C(=O)C2)c1 ZINC000273470642 192164421 /nfs/dbraw/zinc/16/44/21/192164421.db2.gz JGHIYHAQEMVMEX-UHFFFAOYSA-N 1 2 274.364 1.916 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2CCN(CC)C(=O)C2)c1 ZINC000273470642 192164423 /nfs/dbraw/zinc/16/44/23/192164423.db2.gz JGHIYHAQEMVMEX-UHFFFAOYSA-N 1 2 274.364 1.916 20 30 CDEDLO C[C@@H](CNC(=O)Nc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000043329568 348755085 /nfs/dbraw/zinc/75/50/85/348755085.db2.gz HTZZLDYKDTXAAC-LBPRGKRZSA-N 1 2 288.351 1.400 20 30 CDEDLO C=CC[N@@H+](CC(=O)NC(=O)NC)Cc1cccc(C#N)c1 ZINC000063300863 348921932 /nfs/dbraw/zinc/92/19/32/348921932.db2.gz ZABZRWFDUHXCBR-UHFFFAOYSA-N 1 2 286.335 1.002 20 30 CDEDLO C=CC[N@H+](CC(=O)NC(=O)NC)Cc1cccc(C#N)c1 ZINC000063300863 348921937 /nfs/dbraw/zinc/92/19/37/348921937.db2.gz ZABZRWFDUHXCBR-UHFFFAOYSA-N 1 2 286.335 1.002 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000066470225 348984437 /nfs/dbraw/zinc/98/44/37/348984437.db2.gz ACKRVWKPFTUPNO-LBPRGKRZSA-N 1 2 295.408 1.528 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000066470225 348984438 /nfs/dbraw/zinc/98/44/38/348984438.db2.gz ACKRVWKPFTUPNO-LBPRGKRZSA-N 1 2 295.408 1.528 20 30 CDEDLO C[C@@H]1C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@H](C)S1 ZINC000072771876 349131644 /nfs/dbraw/zinc/13/16/44/349131644.db2.gz ZXNUMSOTJXHNLI-WDMOLILDSA-N 1 2 289.404 1.910 20 30 CDEDLO C[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@H](C)S1 ZINC000072771876 349131648 /nfs/dbraw/zinc/13/16/48/349131648.db2.gz ZXNUMSOTJXHNLI-WDMOLILDSA-N 1 2 289.404 1.910 20 30 CDEDLO C[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)n2)c2nccn21 ZINC000602679804 350140422 /nfs/dbraw/zinc/14/04/22/350140422.db2.gz BXMDWLGJBWKNDF-MFKMUULPSA-N 1 2 253.309 1.945 20 30 CDEDLO C[C@@H]1[C@@H](C)[N@H+](Cc2ccc(C#N)cc2)[C@@H](C)C(=O)N1C ZINC000602847249 350155126 /nfs/dbraw/zinc/15/51/26/350155126.db2.gz JYULCODNZVBVII-UPJWGTAASA-N 1 2 271.364 1.998 20 30 CDEDLO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2)[C@@H](C)C(=O)N1C ZINC000602847249 350155130 /nfs/dbraw/zinc/15/51/30/350155130.db2.gz JYULCODNZVBVII-UPJWGTAASA-N 1 2 271.364 1.998 20 30 CDEDLO N#Cc1ccc(Cn2cc[nH+]c2CN2CCOCC2)cc1 ZINC000603423790 350287978 /nfs/dbraw/zinc/28/79/78/350287978.db2.gz QYSIGRGRJCXZOT-UHFFFAOYSA-N 1 2 282.347 1.635 20 30 CDEDLO N#CC1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCCCC1 ZINC000333298833 362970309 /nfs/dbraw/zinc/97/03/09/362970309.db2.gz MAJKGXYAROQPIN-LBPRGKRZSA-N 1 2 272.352 1.788 20 30 CDEDLO N#Cc1ccc(CN2CCn3c[nH+]cc3C2)c(F)c1 ZINC000291494701 198037135 /nfs/dbraw/zinc/03/71/35/198037135.db2.gz GXIFEZVPHQEIIA-UHFFFAOYSA-N 1 2 256.284 1.910 20 30 CDEDLO Cc1c[nH+]c(CN2CCN(c3cccc(C#N)n3)CC2)n1C ZINC000342784717 356225950 /nfs/dbraw/zinc/22/59/50/356225950.db2.gz VUKSDXNOIZSVTE-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO N#Cc1ccncc1C(=O)NCCCCn1cc[nH+]c1 ZINC000584072583 366248655 /nfs/dbraw/zinc/24/86/55/366248655.db2.gz FBUDUZSJZXLECM-UHFFFAOYSA-N 1 2 269.308 1.360 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cccc(C#N)c1 ZINC000047943074 363559272 /nfs/dbraw/zinc/55/92/72/363559272.db2.gz GNDMGNRVFNKXLC-LLVKDONJSA-N 1 2 290.348 1.122 20 30 CDEDLO C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CCCOC1)[NH+]1CCOCC1 ZINC000329522586 538579500 /nfs/dbraw/zinc/57/95/00/538579500.db2.gz REYNAJYHVYJNEG-IHRRRGAJSA-N 1 2 299.415 1.026 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000299412778 357056802 /nfs/dbraw/zinc/05/68/02/357056802.db2.gz WEMKGDQKRDDJSV-ZDUSSCGKSA-N 1 2 283.331 1.292 20 30 CDEDLO C=CCOc1ccc(C[NH2+]Cc2ncnn2C)cc1 ZINC000080547428 357013809 /nfs/dbraw/zinc/01/38/09/357013809.db2.gz GFSILFZRFRRINJ-UHFFFAOYSA-N 1 2 258.325 1.670 20 30 CDEDLO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000335420326 357914202 /nfs/dbraw/zinc/91/42/02/357914202.db2.gz IIEVBWNGKGLETE-CQSZACIVSA-N 1 2 261.300 1.408 20 30 CDEDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000335420326 357914206 /nfs/dbraw/zinc/91/42/06/357914206.db2.gz IIEVBWNGKGLETE-CQSZACIVSA-N 1 2 261.300 1.408 20 30 CDEDLO N#Cc1cnn2cc(C[N@H+]3CCC[C@@H](F)C3)cnc12 ZINC000566567775 358110378 /nfs/dbraw/zinc/11/03/78/358110378.db2.gz WXDFHMGOTOZAQZ-GFCCVEGCSA-N 1 2 259.288 1.535 20 30 CDEDLO N#Cc1cnn2cc(C[N@@H+]3CCC[C@@H](F)C3)cnc12 ZINC000566567775 358110382 /nfs/dbraw/zinc/11/03/82/358110382.db2.gz WXDFHMGOTOZAQZ-GFCCVEGCSA-N 1 2 259.288 1.535 20 30 CDEDLO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc[nH]n3)C2=O)cc1 ZINC000192242755 358183756 /nfs/dbraw/zinc/18/37/56/358183756.db2.gz AUPYMYKUNUISNT-HNNXBMFYSA-N 1 2 295.346 1.172 20 30 CDEDLO C[C@@H]1CCN(C(=O)c2ccnc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000193529119 358301382 /nfs/dbraw/zinc/30/13/82/358301382.db2.gz NMTVVMBYNIOASM-IUODEOHRSA-N 1 2 295.346 1.873 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1ccsc1 ZINC000493467795 366389001 /nfs/dbraw/zinc/38/90/01/366389001.db2.gz UDAOWJQRYSMPPK-IHVVCDCBSA-N 1 2 263.366 1.721 20 30 CDEDLO C[C@H](CNc1ncc2c(c1C#N)CCC2)Cn1cc[nH+]c1 ZINC000584406713 366410772 /nfs/dbraw/zinc/41/07/72/366410772.db2.gz BGSUIHQOTJBQEW-GFCCVEGCSA-N 1 2 281.363 1.809 20 30 CDEDLO N#Cc1ccc(SCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000357320362 358756876 /nfs/dbraw/zinc/75/68/76/358756876.db2.gz XJXXRKYVTVXBMJ-UHFFFAOYSA-N 1 2 293.348 1.891 20 30 CDEDLO C[C@H]([C@H](C)[N@H+](C)Cc1cccc(C#N)c1)S(C)(=O)=O ZINC000264909394 358760799 /nfs/dbraw/zinc/76/07/99/358760799.db2.gz DUNGKGXOTLNQHV-NWDGAFQWSA-N 1 2 280.393 1.812 20 30 CDEDLO C[C@H]([C@H](C)[N@@H+](C)Cc1cccc(C#N)c1)S(C)(=O)=O ZINC000264909394 358760800 /nfs/dbraw/zinc/76/08/00/358760800.db2.gz DUNGKGXOTLNQHV-NWDGAFQWSA-N 1 2 280.393 1.812 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(C#N)ccn1)C1CC1 ZINC000341691875 358789017 /nfs/dbraw/zinc/78/90/17/358789017.db2.gz QBBVCSALUCADEN-ZDUSSCGKSA-N 1 2 281.319 1.568 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1CCC(C)(C)C#N ZINC000345705002 358871068 /nfs/dbraw/zinc/87/10/68/358871068.db2.gz DXOVSLVPQYVWCJ-QWRGUYRKSA-N 1 2 254.330 1.189 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1CCC(C)(C)C#N ZINC000345705002 358871069 /nfs/dbraw/zinc/87/10/69/358871069.db2.gz DXOVSLVPQYVWCJ-QWRGUYRKSA-N 1 2 254.330 1.189 20 30 CDEDLO C=CCOCC[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000645447550 359006942 /nfs/dbraw/zinc/00/69/42/359006942.db2.gz DSKOZKIBHXHIBT-CYBMUJFWSA-N 1 2 276.315 1.825 20 30 CDEDLO C[C@H]([NH2+]Cc1nnnn1CC1CC1)c1ccc(C#N)cc1 ZINC000338359416 359118646 /nfs/dbraw/zinc/11/86/46/359118646.db2.gz IEONWAOVYVMBLA-NSHDSACASA-N 1 2 282.351 1.806 20 30 CDEDLO C#CCN(C)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000276980262 359553348 /nfs/dbraw/zinc/55/33/48/359553348.db2.gz SLSCKXHZCZAUFR-UHFFFAOYSA-N 1 2 272.348 1.224 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000277270442 359558561 /nfs/dbraw/zinc/55/85/61/359558561.db2.gz RPSRJEWCGJCVLR-DJJJIMSYSA-N 1 2 284.425 1.030 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000277270442 359558565 /nfs/dbraw/zinc/55/85/65/359558565.db2.gz RPSRJEWCGJCVLR-DJJJIMSYSA-N 1 2 284.425 1.030 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000279819527 359595791 /nfs/dbraw/zinc/59/57/91/359595791.db2.gz YASIJLQRJXPFGR-UKRRQHHQSA-N 1 2 285.347 1.932 20 30 CDEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C(C)(C)CO ZINC000135592087 359741341 /nfs/dbraw/zinc/74/13/41/359741341.db2.gz MZUWDPJQNYRIJS-UHFFFAOYSA-N 1 2 296.392 1.035 20 30 CDEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C(C)(C)CO ZINC000135592087 359741343 /nfs/dbraw/zinc/74/13/43/359741343.db2.gz MZUWDPJQNYRIJS-UHFFFAOYSA-N 1 2 296.392 1.035 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@@H](CCC)C2)C1=O ZINC000337195647 360018610 /nfs/dbraw/zinc/01/86/10/360018610.db2.gz WWAXIIFRQBSJBO-STQMWFEESA-N 1 2 252.358 1.274 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@@H](CCC)C2)C1=O ZINC000337195647 360018616 /nfs/dbraw/zinc/01/86/16/360018616.db2.gz WWAXIIFRQBSJBO-STQMWFEESA-N 1 2 252.358 1.274 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cccnc2OC)C1=O ZINC000337199223 360021337 /nfs/dbraw/zinc/02/13/37/360021337.db2.gz ASANCLPFAMACSQ-ZDUSSCGKSA-N 1 2 275.352 1.309 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cccnc2OC)C1=O ZINC000337199223 360021343 /nfs/dbraw/zinc/02/13/43/360021343.db2.gz ASANCLPFAMACSQ-ZDUSSCGKSA-N 1 2 275.352 1.309 20 30 CDEDLO CO[C@H](C)c1noc(CN2CCC[N@H+](CCC#N)CC2)n1 ZINC000331659806 360479520 /nfs/dbraw/zinc/47/95/20/360479520.db2.gz PZMFJVFJOFPFMI-GFCCVEGCSA-N 1 2 293.371 1.198 20 30 CDEDLO CO[C@H](C)c1noc(CN2CCC[N@@H+](CCC#N)CC2)n1 ZINC000331659806 360479527 /nfs/dbraw/zinc/47/95/27/360479527.db2.gz PZMFJVFJOFPFMI-GFCCVEGCSA-N 1 2 293.371 1.198 20 30 CDEDLO CO[C@H](C)c1noc(C[N@@H+]2CCCN(CCC#N)CC2)n1 ZINC000331659806 360479529 /nfs/dbraw/zinc/47/95/29/360479529.db2.gz PZMFJVFJOFPFMI-GFCCVEGCSA-N 1 2 293.371 1.198 20 30 CDEDLO CO[C@H](C)c1noc(C[N@H+]2CCCN(CCC#N)CC2)n1 ZINC000331659806 360479534 /nfs/dbraw/zinc/47/95/34/360479534.db2.gz PZMFJVFJOFPFMI-GFCCVEGCSA-N 1 2 293.371 1.198 20 30 CDEDLO CC(C)OCC[C@@H](O)C[N@H+](CC#N)C1CCCC1 ZINC000349885741 360957953 /nfs/dbraw/zinc/95/79/53/360957953.db2.gz SVNDAXWVUVRRNI-CQSZACIVSA-N 1 2 254.374 1.931 20 30 CDEDLO CC(C)OCC[C@@H](O)C[N@@H+](CC#N)C1CCCC1 ZINC000349885741 360957955 /nfs/dbraw/zinc/95/79/55/360957955.db2.gz SVNDAXWVUVRRNI-CQSZACIVSA-N 1 2 254.374 1.931 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCC[C@H]2C(=O)OC)cc1 ZINC000179899073 189226243 /nfs/dbraw/zinc/22/62/43/189226243.db2.gz HMPINUJJKOPTQE-HNNXBMFYSA-N 1 2 273.332 1.836 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OC)cc1 ZINC000179899073 189226244 /nfs/dbraw/zinc/22/62/44/189226244.db2.gz HMPINUJJKOPTQE-HNNXBMFYSA-N 1 2 273.332 1.836 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000432097252 361106096 /nfs/dbraw/zinc/10/60/96/361106096.db2.gz LHMDQKJVTIQWCT-CYBMUJFWSA-N 1 2 283.416 1.609 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000432097252 361106100 /nfs/dbraw/zinc/10/61/00/361106100.db2.gz LHMDQKJVTIQWCT-CYBMUJFWSA-N 1 2 283.416 1.609 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433312245 361233381 /nfs/dbraw/zinc/23/33/81/361233381.db2.gz LBPVKRGKEVBFKK-DOMZBBRYSA-N 1 2 278.400 1.911 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433312245 361233385 /nfs/dbraw/zinc/23/33/85/361233385.db2.gz LBPVKRGKEVBFKK-DOMZBBRYSA-N 1 2 278.400 1.911 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000564738980 361260585 /nfs/dbraw/zinc/26/05/85/361260585.db2.gz SDOJMOOPPCKIMD-RBSFLKMASA-N 1 2 296.411 1.195 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000564738980 361260588 /nfs/dbraw/zinc/26/05/88/361260588.db2.gz SDOJMOOPPCKIMD-RBSFLKMASA-N 1 2 296.411 1.195 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CC2CCC1CC2 ZINC000566308906 370680720 /nfs/dbraw/zinc/68/07/20/370680720.db2.gz LBQSUDLWHQOCRJ-SJQFEJMWSA-N 1 2 263.385 1.773 20 30 CDEDLO COc1cccc(OC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000435534370 361411403 /nfs/dbraw/zinc/41/14/03/361411403.db2.gz MTDAYVRAXSXCIN-GFCCVEGCSA-N 1 2 264.325 1.280 20 30 CDEDLO COc1cccc(OC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000435534370 361411407 /nfs/dbraw/zinc/41/14/07/361411407.db2.gz MTDAYVRAXSXCIN-GFCCVEGCSA-N 1 2 264.325 1.280 20 30 CDEDLO O=C(N[C@@H]1CCCOC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329302873 361472571 /nfs/dbraw/zinc/47/25/71/361472571.db2.gz WZXHAFAZLVBFDV-OCCSQVGLSA-N 1 2 282.384 1.765 20 30 CDEDLO O=C(N[C@@H]1CCCOC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329302873 361472578 /nfs/dbraw/zinc/47/25/78/361472578.db2.gz WZXHAFAZLVBFDV-OCCSQVGLSA-N 1 2 282.384 1.765 20 30 CDEDLO C[C@@H]1NC(=O)CC[C@H]1[NH+]=C([O-])N1CCn2c[nH+]cc2C1 ZINC000329664677 361675720 /nfs/dbraw/zinc/67/57/20/361675720.db2.gz POBIREZFGVKCQT-GXSJLCMTSA-N 1 2 277.328 1.120 20 30 CDEDLO C[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000329664677 361675723 /nfs/dbraw/zinc/67/57/23/361675723.db2.gz POBIREZFGVKCQT-GXSJLCMTSA-N 1 2 277.328 1.120 20 30 CDEDLO CCC[N@@H+](CC#N)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000103469493 363926868 /nfs/dbraw/zinc/92/68/68/363926868.db2.gz GCPXWELLAXVKSQ-UHFFFAOYSA-N 1 2 288.351 1.350 20 30 CDEDLO CCC[N@H+](CC#N)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000103469493 363926875 /nfs/dbraw/zinc/92/68/75/363926875.db2.gz GCPXWELLAXVKSQ-UHFFFAOYSA-N 1 2 288.351 1.350 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000030543235 363968785 /nfs/dbraw/zinc/96/87/85/363968785.db2.gz ZAFZDVUOZBNJMP-ZDUSSCGKSA-N 1 2 287.363 1.003 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000030543235 363968788 /nfs/dbraw/zinc/96/87/88/363968788.db2.gz ZAFZDVUOZBNJMP-ZDUSSCGKSA-N 1 2 287.363 1.003 20 30 CDEDLO COCc1ccccc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000570837034 364024340 /nfs/dbraw/zinc/02/43/40/364024340.db2.gz PBIBUPXGJNASEY-AWEZNQCLSA-N 1 2 277.368 1.451 20 30 CDEDLO COCc1ccccc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000570837034 364024345 /nfs/dbraw/zinc/02/43/45/364024345.db2.gz PBIBUPXGJNASEY-AWEZNQCLSA-N 1 2 277.368 1.451 20 30 CDEDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000042422121 364584573 /nfs/dbraw/zinc/58/45/73/364584573.db2.gz GPCCRIRRDTZZFZ-CQSZACIVSA-N 1 2 275.327 1.798 20 30 CDEDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000042422121 364584575 /nfs/dbraw/zinc/58/45/75/364584575.db2.gz GPCCRIRRDTZZFZ-CQSZACIVSA-N 1 2 275.327 1.798 20 30 CDEDLO C=C(C)CN(CC)c1cc(N2CCOCC2)[nH+]cn1 ZINC000302802202 364571450 /nfs/dbraw/zinc/57/14/50/364571450.db2.gz UOGNWCMJKCFHTE-UHFFFAOYSA-N 1 2 262.357 1.716 20 30 CDEDLO C=C(C)CN(CC)c1cc(N2CCOCC2)nc[nH+]1 ZINC000302802202 364571452 /nfs/dbraw/zinc/57/14/52/364571452.db2.gz UOGNWCMJKCFHTE-UHFFFAOYSA-N 1 2 262.357 1.716 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cccc(C)c2)nn1 ZINC000640846470 364695318 /nfs/dbraw/zinc/69/53/18/364695318.db2.gz WGWTUVKCHCQOEZ-UHFFFAOYSA-N 1 2 254.337 1.748 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCCOc1cccc(C)c1 ZINC000563969842 364795130 /nfs/dbraw/zinc/79/51/30/364795130.db2.gz FKMJKTZLCREPJC-CQSZACIVSA-N 1 2 289.379 1.772 20 30 CDEDLO C[C@@H](NC(=O)c1ccc(C#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000264250122 364763317 /nfs/dbraw/zinc/76/33/17/364763317.db2.gz KUZCRWNMFLTZEJ-OLZOCXBDSA-N 1 2 287.363 1.397 20 30 CDEDLO CC#CC[C@H](CO)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000645532681 364791155 /nfs/dbraw/zinc/79/11/55/364791155.db2.gz FDFLLDVWTCGLHW-CQSZACIVSA-N 1 2 275.352 1.272 20 30 CDEDLO C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ncn(C)n1 ZINC000275679252 193103363 /nfs/dbraw/zinc/10/33/63/193103363.db2.gz ZRVILUIEIUIHRN-NSHDSACASA-N 1 2 298.350 1.366 20 30 CDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccc2c(c1)CCC2 ZINC000172282830 365506647 /nfs/dbraw/zinc/50/66/47/365506647.db2.gz XIJZISLRLLDCOZ-UHFFFAOYSA-N 1 2 289.379 1.879 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000357789642 367210392 /nfs/dbraw/zinc/21/03/92/367210392.db2.gz DRMDEGFLMFUOAP-MFKMUULPSA-N 1 2 286.310 1.924 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000156443877 260794056 /nfs/dbraw/zinc/79/40/56/260794056.db2.gz SSLXTUQSBYQNGD-FRRDWIJNSA-N 1 2 267.373 1.104 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000156443877 260794058 /nfs/dbraw/zinc/79/40/58/260794058.db2.gz SSLXTUQSBYQNGD-FRRDWIJNSA-N 1 2 267.373 1.104 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc3c(c2)CCC3)CC1 ZINC000128344632 368403520 /nfs/dbraw/zinc/40/35/20/368403520.db2.gz RJDDGCRSWQETCI-UHFFFAOYSA-N 1 2 298.386 1.332 20 30 CDEDLO C#CCN(CC)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000375673837 370902589 /nfs/dbraw/zinc/90/25/89/370902589.db2.gz RBNRLWKAJZDVGS-AWEZNQCLSA-N 1 2 264.369 1.112 20 30 CDEDLO C#CCN(CC)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000375673837 370902592 /nfs/dbraw/zinc/90/25/92/370902592.db2.gz RBNRLWKAJZDVGS-AWEZNQCLSA-N 1 2 264.369 1.112 20 30 CDEDLO CC[N@@H+](Cc1ccc(C#N)cn1)C[C@H](O)C(F)(F)F ZINC000577505961 317345031 /nfs/dbraw/zinc/34/50/31/317345031.db2.gz QXFWRJRZYMJRNM-NSHDSACASA-N 1 2 273.258 1.698 20 30 CDEDLO CC[N@H+](Cc1ccc(C#N)cn1)C[C@H](O)C(F)(F)F ZINC000577505961 317345035 /nfs/dbraw/zinc/34/50/35/317345035.db2.gz QXFWRJRZYMJRNM-NSHDSACASA-N 1 2 273.258 1.698 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000276220443 193246932 /nfs/dbraw/zinc/24/69/32/193246932.db2.gz MALQMRJKGRMUQV-HNNXBMFYSA-N 1 2 279.384 1.960 20 30 CDEDLO C=C(C)CN(CC)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000079312731 369823409 /nfs/dbraw/zinc/82/34/09/369823409.db2.gz CXIGVKNSTMHRSR-CYBMUJFWSA-N 1 2 269.389 1.315 20 30 CDEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC000371781947 370408168 /nfs/dbraw/zinc/40/81/68/370408168.db2.gz QJYCGKVUYGKWBY-HZPDHXFCSA-N 1 2 283.375 1.990 20 30 CDEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC000371781947 370408171 /nfs/dbraw/zinc/40/81/71/370408171.db2.gz QJYCGKVUYGKWBY-HZPDHXFCSA-N 1 2 283.375 1.990 20 30 CDEDLO CCCC[N@H+](CC#Cc1ccc(F)cc1)CC(N)=O ZINC000156184492 371044363 /nfs/dbraw/zinc/04/43/63/371044363.db2.gz GJPNOMBQUBWLPS-UHFFFAOYSA-N 1 2 262.328 1.765 20 30 CDEDLO CCCC[N@@H+](CC#Cc1ccc(F)cc1)CC(N)=O ZINC000156184492 371044366 /nfs/dbraw/zinc/04/43/66/371044366.db2.gz GJPNOMBQUBWLPS-UHFFFAOYSA-N 1 2 262.328 1.765 20 30 CDEDLO Cc1onc(CC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1C#N ZINC000331692253 204079763 /nfs/dbraw/zinc/07/97/63/204079763.db2.gz XIYHUVBXWJQXGQ-UHFFFAOYSA-N 1 2 299.334 1.527 20 30 CDEDLO C[C@@H](C(=O)Nc1cc(CC#N)ccn1)[NH+]1CC(C)C1 ZINC000573695727 371626919 /nfs/dbraw/zinc/62/69/19/371626919.db2.gz HWGGBTSXGGZDRT-NSHDSACASA-N 1 2 258.325 1.426 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc(C#N)cc2)CCO1 ZINC000347653966 372106899 /nfs/dbraw/zinc/10/68/99/372106899.db2.gz UBRROPLYNNLAQM-OAHLLOKOSA-N 1 2 287.363 1.399 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)cc2)CCO1 ZINC000347653966 372106903 /nfs/dbraw/zinc/10/69/03/372106903.db2.gz UBRROPLYNNLAQM-OAHLLOKOSA-N 1 2 287.363 1.399 20 30 CDEDLO CCSc1nccnc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000577875812 372155318 /nfs/dbraw/zinc/15/53/18/372155318.db2.gz BIZZGCOLKXQJHG-ZDUSSCGKSA-N 1 2 293.396 1.162 20 30 CDEDLO COCCO[C@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000179357053 372272685 /nfs/dbraw/zinc/27/26/85/372272685.db2.gz DKZBLBWXJYBDHV-KBPBESRZSA-N 1 2 265.357 1.557 20 30 CDEDLO COCCO[C@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000179357053 372272691 /nfs/dbraw/zinc/27/26/91/372272691.db2.gz DKZBLBWXJYBDHV-KBPBESRZSA-N 1 2 265.357 1.557 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1nnc2ccccn21 ZINC000172616058 372408004 /nfs/dbraw/zinc/40/80/04/372408004.db2.gz WKDHQMOIAUEYKN-GHMZBOCLSA-N 1 2 273.340 1.071 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000174530096 372592543 /nfs/dbraw/zinc/59/25/43/372592543.db2.gz VROWVUAGOGDPOG-UHFFFAOYSA-N 1 2 258.277 1.672 20 30 CDEDLO CS[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000296250681 373809688 /nfs/dbraw/zinc/80/96/88/373809688.db2.gz LLSOPJJNVPRXKO-SNVBAGLBSA-N 1 2 281.406 1.996 20 30 CDEDLO CS[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000296250681 373809692 /nfs/dbraw/zinc/80/96/92/373809692.db2.gz LLSOPJJNVPRXKO-SNVBAGLBSA-N 1 2 281.406 1.996 20 30 CDEDLO C[C@@H](C(=O)NCc1[nH]cc[nH+]1)c1cccc(C#N)c1 ZINC000360184044 374005878 /nfs/dbraw/zinc/00/58/78/374005878.db2.gz ONYLKKPAUZPHID-SNVBAGLBSA-N 1 2 254.293 1.701 20 30 CDEDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cccc(C#N)c1 ZINC000350867407 374121655 /nfs/dbraw/zinc/12/16/55/374121655.db2.gz GSFWCPRCAYPWLF-RYUDHWBXSA-N 1 2 293.392 1.271 20 30 CDEDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cccc(C#N)c1 ZINC000350867407 374121660 /nfs/dbraw/zinc/12/16/60/374121660.db2.gz GSFWCPRCAYPWLF-RYUDHWBXSA-N 1 2 293.392 1.271 20 30 CDEDLO CN(C)c1cc(C#N)cc(C(=O)NCCn2cc[nH+]c2)c1 ZINC000292796553 374307510 /nfs/dbraw/zinc/30/75/10/374307510.db2.gz NCISZUILAUSORP-UHFFFAOYSA-N 1 2 283.335 1.251 20 30 CDEDLO CN(C)c1cc(C#N)cc(C(=O)N(C)Cc2[nH+]ccn2C)c1 ZINC000292950500 374334821 /nfs/dbraw/zinc/33/48/21/374334821.db2.gz FVWFCSAIVNSFQZ-UHFFFAOYSA-N 1 2 297.362 1.630 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c1 ZINC000369052138 374345611 /nfs/dbraw/zinc/34/56/11/374345611.db2.gz SPWIIRPVAZPZBW-HNNXBMFYSA-N 1 2 289.310 1.772 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)c1 ZINC000369052138 374345617 /nfs/dbraw/zinc/34/56/17/374345617.db2.gz SPWIIRPVAZPZBW-HNNXBMFYSA-N 1 2 289.310 1.772 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000042569786 374847300 /nfs/dbraw/zinc/84/73/00/374847300.db2.gz WHVLEDJSWLZESN-STQMWFEESA-N 1 2 252.358 1.296 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000042569786 374847307 /nfs/dbraw/zinc/84/73/07/374847307.db2.gz WHVLEDJSWLZESN-STQMWFEESA-N 1 2 252.358 1.296 20 30 CDEDLO C[C@@H]1CCN(C(=O)C(C)(C)C#N)C[C@H]1n1cc[nH+]c1 ZINC000125349994 374924954 /nfs/dbraw/zinc/92/49/54/374924954.db2.gz QMGBBMSWSKAQRM-VXGBXAGGSA-N 1 2 260.341 1.842 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCOC[C@@H](C)C1 ZINC000332288220 375023932 /nfs/dbraw/zinc/02/39/32/375023932.db2.gz FLXIDOLCLUYXBQ-STQMWFEESA-N 1 2 287.363 1.854 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCOC[C@@H](C)C1 ZINC000332288220 375023939 /nfs/dbraw/zinc/02/39/39/375023939.db2.gz FLXIDOLCLUYXBQ-STQMWFEESA-N 1 2 287.363 1.854 20 30 CDEDLO CC[N@H+](Cc1ccc(Cl)cc1C#N)[C@H]1CCNC1=O ZINC000282495538 375090679 /nfs/dbraw/zinc/09/06/79/375090679.db2.gz WGDLIYLTVPQYAU-ZDUSSCGKSA-N 1 2 277.755 1.922 20 30 CDEDLO CC[N@@H+](Cc1ccc(Cl)cc1C#N)[C@H]1CCNC1=O ZINC000282495538 375090682 /nfs/dbraw/zinc/09/06/82/375090682.db2.gz WGDLIYLTVPQYAU-ZDUSSCGKSA-N 1 2 277.755 1.922 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000135601398 375719599 /nfs/dbraw/zinc/71/95/99/375719599.db2.gz FLRYBNTYIORELG-LBPRGKRZSA-N 1 2 262.357 1.032 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000135601398 375719604 /nfs/dbraw/zinc/71/96/04/375719604.db2.gz FLRYBNTYIORELG-LBPRGKRZSA-N 1 2 262.357 1.032 20 30 CDEDLO CCc1nnc(N(C)Cc2[nH]cc[nH+]2)c(C#N)c1CC ZINC000428132325 247247890 /nfs/dbraw/zinc/24/78/90/247247890.db2.gz SFWKTNFUKYYANW-UHFFFAOYSA-N 1 2 270.340 1.833 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cnn(C)c1C1CC1 ZINC000328826041 375968343 /nfs/dbraw/zinc/96/83/43/375968343.db2.gz HWFGSYGODCVOMN-NSHDSACASA-N 1 2 292.383 1.323 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cnn(C)c1C1CC1 ZINC000328826041 375968345 /nfs/dbraw/zinc/96/83/45/375968345.db2.gz HWFGSYGODCVOMN-NSHDSACASA-N 1 2 292.383 1.323 20 30 CDEDLO Cc1[nH]c(C(=O)N[C@H]2CCN(C(=O)c3ccccn3)C2)c[nH+]1 ZINC000328793968 375971775 /nfs/dbraw/zinc/97/17/75/375971775.db2.gz SFAZOJXVPBMGTB-NSHDSACASA-N 1 2 299.334 1.332 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)CC[C@@H]2CCCO2)C1 ZINC000328724299 375924596 /nfs/dbraw/zinc/92/45/96/375924596.db2.gz YLDZTCRLWHZWSM-NWDGAFQWSA-N 1 2 256.346 1.233 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)CC[C@@H]2CCCO2)C1 ZINC000328724299 375924606 /nfs/dbraw/zinc/92/46/06/375924606.db2.gz YLDZTCRLWHZWSM-NWDGAFQWSA-N 1 2 256.346 1.233 20 30 CDEDLO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CCOC[C@@H](C)C1 ZINC000328683062 375927543 /nfs/dbraw/zinc/92/75/43/375927543.db2.gz PATIRZWVFUSPEO-WDEREUQCSA-N 1 2 264.329 1.421 20 30 CDEDLO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCOC[C@@H](C)C1 ZINC000328683062 375927545 /nfs/dbraw/zinc/92/75/45/375927545.db2.gz PATIRZWVFUSPEO-WDEREUQCSA-N 1 2 264.329 1.421 20 30 CDEDLO CC1(C)SC[C@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000328743518 375942862 /nfs/dbraw/zinc/94/28/62/375942862.db2.gz JZSWCCAZVIGFIM-SECBINFHSA-N 1 2 266.370 1.507 20 30 CDEDLO CC1(C)SC[C@@H]1[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000328751057 375944767 /nfs/dbraw/zinc/94/47/67/375944767.db2.gz QUNGFBSHGRXXCG-UWVGGRQHSA-N 1 2 280.397 1.596 20 30 CDEDLO CC1(C)SC[C@@H]1NC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000328751057 375944770 /nfs/dbraw/zinc/94/47/70/375944770.db2.gz QUNGFBSHGRXXCG-UWVGGRQHSA-N 1 2 280.397 1.596 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@H](C)[C@H](O)C(F)(F)F)nn1 ZINC000631234888 376028440 /nfs/dbraw/zinc/02/84/40/376028440.db2.gz SSXUIIUOPDNMLJ-SCZZXKLOSA-N 1 2 278.278 1.256 20 30 CDEDLO CCNC(=O)NC(=O)C[N@H+](CCC#N)CCC(C)C ZINC000072691307 376803466 /nfs/dbraw/zinc/80/34/66/376803466.db2.gz BKUNWGUGPPIKGQ-UHFFFAOYSA-N 1 2 268.361 1.094 20 30 CDEDLO CCNC(=O)NC(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000072691307 376803469 /nfs/dbraw/zinc/80/34/69/376803469.db2.gz BKUNWGUGPPIKGQ-UHFFFAOYSA-N 1 2 268.361 1.094 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@H](C#N)C1 ZINC000171732628 376973942 /nfs/dbraw/zinc/97/39/42/376973942.db2.gz QMFWUKPJZNQZER-GFCCVEGCSA-N 1 2 284.319 1.096 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000160316886 377055105 /nfs/dbraw/zinc/05/51/05/377055105.db2.gz ZSNQOTUKYFKRKH-UHFFFAOYSA-N 1 2 278.302 1.746 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCc1ccccc1COCC ZINC000072906695 377203445 /nfs/dbraw/zinc/20/34/45/377203445.db2.gz OZKBLEGYXLFOBR-UHFFFAOYSA-N 1 2 298.386 1.408 20 30 CDEDLO C#CCCCCNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000130579581 377611407 /nfs/dbraw/zinc/61/14/07/377611407.db2.gz MELAYSPKMBKNAW-CQSZACIVSA-N 1 2 288.395 1.901 20 30 CDEDLO C#CCCCCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000130579581 377611416 /nfs/dbraw/zinc/61/14/16/377611416.db2.gz MELAYSPKMBKNAW-CQSZACIVSA-N 1 2 288.395 1.901 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000131151175 377643891 /nfs/dbraw/zinc/64/38/91/377643891.db2.gz HQBQSEMUGCSMPR-UONOGXRCSA-N 1 2 280.412 1.980 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000080929701 377822925 /nfs/dbraw/zinc/82/29/25/377822925.db2.gz QFJNHSBBJMOSSI-UHFFFAOYSA-N 1 2 260.337 1.726 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccccc1N1CCCC1=O ZINC000192224202 378175821 /nfs/dbraw/zinc/17/58/21/378175821.db2.gz LKFFKHHPTBXXOL-UHFFFAOYSA-N 1 2 285.347 1.317 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccccc1N1CCCC1=O ZINC000192224202 378175824 /nfs/dbraw/zinc/17/58/24/378175824.db2.gz LKFFKHHPTBXXOL-UHFFFAOYSA-N 1 2 285.347 1.317 20 30 CDEDLO C#CC[NH+]1CCN(c2nc(CCC)ns2)CC1 ZINC000291049525 378427923 /nfs/dbraw/zinc/42/79/23/378427923.db2.gz ZHBCBXZOPCDELY-UHFFFAOYSA-N 1 2 250.371 1.246 20 30 CDEDLO C=C[C@H](CO)Nc1nc(N[C@@H](C=C)CO)c(Cl)c[nH+]1 ZINC000291162912 378433255 /nfs/dbraw/zinc/43/32/55/378433255.db2.gz QEOKELGVBGGOQM-DTWKUNHWSA-N 1 2 284.747 1.048 20 30 CDEDLO C=CCOCC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC000293487353 378578561 /nfs/dbraw/zinc/57/85/61/378578561.db2.gz MUFLWMBEGFNRAJ-OAHLLOKOSA-N 1 2 275.348 1.789 20 30 CDEDLO C=CCOCC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC000293487353 378578566 /nfs/dbraw/zinc/57/85/66/378578566.db2.gz MUFLWMBEGFNRAJ-OAHLLOKOSA-N 1 2 275.348 1.789 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000293625399 378592299 /nfs/dbraw/zinc/59/22/99/378592299.db2.gz WIZFKDRHMHZBAK-UHFFFAOYSA-N 1 2 292.354 1.786 20 30 CDEDLO CC#CCNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000186568924 378852104 /nfs/dbraw/zinc/85/21/04/378852104.db2.gz KSFUDSHFZKQLGR-UHFFFAOYSA-N 1 2 287.363 1.664 20 30 CDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](CO)C1 ZINC000266958206 378905966 /nfs/dbraw/zinc/90/59/66/378905966.db2.gz WCRIRKGWCYAYKK-SNVBAGLBSA-N 1 2 293.754 1.464 20 30 CDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](CO)C1 ZINC000266958206 378905974 /nfs/dbraw/zinc/90/59/74/378905974.db2.gz WCRIRKGWCYAYKK-SNVBAGLBSA-N 1 2 293.754 1.464 20 30 CDEDLO N#CCCCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000343608902 378925551 /nfs/dbraw/zinc/92/55/51/378925551.db2.gz CCBKZVYFSJYZDC-UHFFFAOYSA-N 1 2 275.356 1.365 20 30 CDEDLO C[C@H](C[N@H+](C)Cc1ccc(C#N)cc1)S(C)(=O)=O ZINC000450224700 251182343 /nfs/dbraw/zinc/18/23/43/251182343.db2.gz CMEDIKGKOFTSMK-LLVKDONJSA-N 1 2 266.366 1.423 20 30 CDEDLO C[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1)S(C)(=O)=O ZINC000450224700 251182345 /nfs/dbraw/zinc/18/23/45/251182345.db2.gz CMEDIKGKOFTSMK-LLVKDONJSA-N 1 2 266.366 1.423 20 30 CDEDLO C=CCN1CC[C@H](Sc2nc(N)cc(CC)[nH+]2)C1=O ZINC000280904068 195021694 /nfs/dbraw/zinc/02/16/94/195021694.db2.gz FBEPGQREBXVLBY-JTQLQIEISA-N 1 2 278.381 1.500 20 30 CDEDLO C#C[C@@H](NC(=O)NCCNc1cccc[nH+]1)C(C)C ZINC000281027236 195074752 /nfs/dbraw/zinc/07/47/52/195074752.db2.gz HIGYLTCOIMKDPW-GFCCVEGCSA-N 1 2 260.341 1.451 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)/C=C\c2cccc(C#N)c2)C1 ZINC000491380750 253078200 /nfs/dbraw/zinc/07/82/00/253078200.db2.gz FQACYOLIRBHCFD-IYKSTZQJSA-N 1 2 285.347 1.018 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)/C=C\c2cccc(C#N)c2)C1 ZINC000491380750 253078203 /nfs/dbraw/zinc/07/82/03/253078203.db2.gz FQACYOLIRBHCFD-IYKSTZQJSA-N 1 2 285.347 1.018 20 30 CDEDLO CN(CC[NH+]1CCOCC1)C(=O)/C=C/c1cccc(C#N)c1 ZINC000491437267 253081929 /nfs/dbraw/zinc/08/19/29/253081929.db2.gz QTPMSESVWQBQJI-AATRIKPKSA-N 1 2 299.374 1.362 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C\c1cccc(C#N)c1 ZINC000491188063 253066297 /nfs/dbraw/zinc/06/62/97/253066297.db2.gz WBGABXJMYCNLEG-SZZPACECSA-N 1 2 280.331 1.973 20 30 CDEDLO COc1cc[nH+]cc1CNc1nnc(C)c(C)c1C#N ZINC000292816169 533085718 /nfs/dbraw/zinc/08/57/18/533085718.db2.gz SKPFTRDGRUMAFK-UHFFFAOYSA-N 1 2 269.308 1.981 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](CC)C[C@H](O)C(F)(F)F)C1=O ZINC000281222199 195155330 /nfs/dbraw/zinc/15/53/30/195155330.db2.gz DVZQCIHHSFXGKG-UWVGGRQHSA-N 1 2 280.290 1.018 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](CC)C[C@H](O)C(F)(F)F)C1=O ZINC000281222199 195155328 /nfs/dbraw/zinc/15/53/28/195155328.db2.gz DVZQCIHHSFXGKG-UWVGGRQHSA-N 1 2 280.290 1.018 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)/C=C\c1[nH+]ccn1CC ZINC000492966256 262254491 /nfs/dbraw/zinc/25/44/91/262254491.db2.gz XVFYHSNXUNAABE-QDZRJHCZSA-N 1 2 263.341 1.360 20 30 CDEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@H](F)C3)C2=O)cc1 ZINC000336261052 390179855 /nfs/dbraw/zinc/17/98/55/390179855.db2.gz KBHAFVSAKIWICR-GXTWGEPZSA-N 1 2 273.311 1.707 20 30 CDEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@H](F)C3)C2=O)cc1 ZINC000336261052 390179857 /nfs/dbraw/zinc/17/98/57/390179857.db2.gz KBHAFVSAKIWICR-GXTWGEPZSA-N 1 2 273.311 1.707 20 30 CDEDLO C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000177724298 390442087 /nfs/dbraw/zinc/44/20/87/390442087.db2.gz OOVWXJXFVBFNIN-BXUZGUMPSA-N 1 2 283.335 1.806 20 30 CDEDLO CN1CC[N@H+](C)C[C@@H]1c1noc(Cc2ccc(C#N)cc2)n1 ZINC000319380377 390462235 /nfs/dbraw/zinc/46/22/35/390462235.db2.gz ADWITXAVNBQIRR-CQSZACIVSA-N 1 2 297.362 1.450 20 30 CDEDLO CN1CC[N@@H+](C)C[C@@H]1c1noc(Cc2ccc(C#N)cc2)n1 ZINC000319380377 390462239 /nfs/dbraw/zinc/46/22/39/390462239.db2.gz ADWITXAVNBQIRR-CQSZACIVSA-N 1 2 297.362 1.450 20 30 CDEDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)CCCC#N ZINC000152004946 390533580 /nfs/dbraw/zinc/53/35/80/390533580.db2.gz DPVIVJOFVBKFRV-UHFFFAOYSA-N 1 2 283.353 1.168 20 30 CDEDLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC000334555635 390570718 /nfs/dbraw/zinc/57/07/18/390570718.db2.gz PNYLVXZTAUZDHY-DYZYQPBXSA-N 1 2 268.407 1.963 20 30 CDEDLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000334555635 390570724 /nfs/dbraw/zinc/57/07/24/390570724.db2.gz PNYLVXZTAUZDHY-DYZYQPBXSA-N 1 2 268.407 1.963 20 30 CDEDLO CC(C)S(=O)(=O)CCC[NH+]1CCC(C#N)CC1 ZINC000119330242 390846097 /nfs/dbraw/zinc/84/60/97/390846097.db2.gz CEBAMLTYYCDBTH-UHFFFAOYSA-N 1 2 258.387 1.435 20 30 CDEDLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)CO[NH+]=C(N)CCO ZINC000121404482 390885223 /nfs/dbraw/zinc/88/52/23/390885223.db2.gz XAGBPPYRQDKXQY-JTQLQIEISA-N 1 2 297.330 1.016 20 30 CDEDLO CCOC(=O)[C@@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000155458124 390918674 /nfs/dbraw/zinc/91/86/74/390918674.db2.gz WBQDKGQQALTQTC-CHWSQXEVSA-N 1 2 263.341 1.705 20 30 CDEDLO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000155458124 390918675 /nfs/dbraw/zinc/91/86/75/390918675.db2.gz WBQDKGQQALTQTC-CHWSQXEVSA-N 1 2 263.341 1.705 20 30 CDEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1C[C@]12CCOC2 ZINC000329609677 391030114 /nfs/dbraw/zinc/03/01/14/391030114.db2.gz NMEHQTSTRCUOPL-BFVZDQMLSA-N 1 2 261.325 1.650 20 30 CDEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1C[C@]12CCOC2 ZINC000329609677 391030118 /nfs/dbraw/zinc/03/01/18/391030118.db2.gz NMEHQTSTRCUOPL-BFVZDQMLSA-N 1 2 261.325 1.650 20 30 CDEDLO Cc1[nH+]ccn1CC[NH+]=C([O-])N1CCOCC2(CCC2)C1 ZINC000329513226 391002295 /nfs/dbraw/zinc/00/22/95/391002295.db2.gz LIZNKLNQOCFRNX-UHFFFAOYSA-N 1 2 292.383 1.608 20 30 CDEDLO C[C@]1(CNC(=O)N2CCn3c[nH+]cc3C2)CCOC1 ZINC000329649783 391063795 /nfs/dbraw/zinc/06/37/95/391063795.db2.gz JRUGMTLATOFBAO-CYBMUJFWSA-N 1 2 264.329 1.039 20 30 CDEDLO C[C@]1(C[NH+]=C([O-])N2CCn3c[nH+]cc3C2)CCOC1 ZINC000329649783 391063800 /nfs/dbraw/zinc/06/38/00/391063800.db2.gz JRUGMTLATOFBAO-CYBMUJFWSA-N 1 2 264.329 1.039 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCCCC#N)CCC2 ZINC000343851586 391089525 /nfs/dbraw/zinc/08/95/25/391089525.db2.gz DMTQJNQMCNWONP-LBPRGKRZSA-N 1 2 275.356 1.672 20 30 CDEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352464929 391148481 /nfs/dbraw/zinc/14/84/81/391148481.db2.gz YYCXHQGKVYADGS-NSHDSACASA-N 1 2 298.362 1.184 20 30 CDEDLO COc1cccc(C(N)=[NH+]OCC(=O)N2CCCCC2)c1 ZINC000174211897 391118868 /nfs/dbraw/zinc/11/88/68/391118868.db2.gz PBSQKLGSTDRAJP-UHFFFAOYSA-N 1 2 291.351 1.345 20 30 CDEDLO C[C@H](C#N)S(=O)(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000352413806 391128246 /nfs/dbraw/zinc/12/82/46/391128246.db2.gz QYQIHZKAYBOJKV-LLVKDONJSA-N 1 2 294.380 1.013 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000334106704 391137033 /nfs/dbraw/zinc/13/70/33/391137033.db2.gz YOLVRGJODRHTEH-UPJWGTAASA-N 1 2 290.367 1.642 20 30 CDEDLO CO[C@@H]1CCC[C@@H]1CNC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330196581 533386987 /nfs/dbraw/zinc/38/69/87/533386987.db2.gz QMVZQHCCOQDERE-FRRDWIJNSA-N 1 2 292.383 1.517 20 30 CDEDLO CO[C@@H]1CCC[C@@H]1C[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000330196581 533386992 /nfs/dbraw/zinc/38/69/92/533386992.db2.gz QMVZQHCCOQDERE-FRRDWIJNSA-N 1 2 292.383 1.517 20 30 CDEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C2(C#N)CCCC2)C[C@H](C)O1 ZINC000345397479 391175314 /nfs/dbraw/zinc/17/53/14/391175314.db2.gz JAZDLNRKIUXUPX-OKILXGFUSA-N 1 2 293.411 1.638 20 30 CDEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)C2(C#N)CCCC2)C[C@H](C)O1 ZINC000345397479 391175316 /nfs/dbraw/zinc/17/53/16/391175316.db2.gz JAZDLNRKIUXUPX-OKILXGFUSA-N 1 2 293.411 1.638 20 30 CDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCCCC#N ZINC000376368301 391225295 /nfs/dbraw/zinc/22/52/95/391225295.db2.gz SNXSLQHPGWMDQA-KBPBESRZSA-N 1 2 294.399 1.185 20 30 CDEDLO Cc1cc(C#N)nc(N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000049657724 391322298 /nfs/dbraw/zinc/32/22/98/391322298.db2.gz HOVXEEISSHLWOM-UHFFFAOYSA-N 1 2 280.335 1.378 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N1CCCc2cc(OC)ccc21 ZINC000339757415 391346991 /nfs/dbraw/zinc/34/69/91/391346991.db2.gz SDKKGYXYWCTEAQ-UHFFFAOYSA-N 1 2 286.375 1.930 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N1CCCc2cc(OC)ccc21 ZINC000339757415 391346994 /nfs/dbraw/zinc/34/69/94/391346994.db2.gz SDKKGYXYWCTEAQ-UHFFFAOYSA-N 1 2 286.375 1.930 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N[C@@H](Cc1ccccc1)C(C)=O ZINC000339755071 391348590 /nfs/dbraw/zinc/34/85/90/391348590.db2.gz UZGRNKPSSLCRIQ-INIZCTEOSA-N 1 2 286.375 1.258 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H](Cc1ccccc1)C(C)=O ZINC000339755071 391348592 /nfs/dbraw/zinc/34/85/92/391348592.db2.gz UZGRNKPSSLCRIQ-INIZCTEOSA-N 1 2 286.375 1.258 20 30 CDEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N(CC)CCC#N ZINC000330458499 391425404 /nfs/dbraw/zinc/42/54/04/391425404.db2.gz RXIAANBPCAKALP-CHWSQXEVSA-N 1 2 267.373 1.248 20 30 CDEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N(CC)CCC#N ZINC000330458499 391425407 /nfs/dbraw/zinc/42/54/07/391425407.db2.gz RXIAANBPCAKALP-CHWSQXEVSA-N 1 2 267.373 1.248 20 30 CDEDLO COC(=O)[C@@H]1CC[N@H+](C[C@@H](C#N)CCC#N)C[C@H]1C ZINC000355379290 391451699 /nfs/dbraw/zinc/45/16/99/391451699.db2.gz LEWARHSMYZYOQM-JHJVBQTASA-N 1 2 263.341 1.561 20 30 CDEDLO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](C#N)CCC#N)C[C@H]1C ZINC000355379290 391451701 /nfs/dbraw/zinc/45/17/01/391451701.db2.gz LEWARHSMYZYOQM-JHJVBQTASA-N 1 2 263.341 1.561 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000354351469 391416176 /nfs/dbraw/zinc/41/61/76/391416176.db2.gz LQYATSYVHGWUST-DZGCQCFKSA-N 1 2 293.411 1.495 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000354351469 391416179 /nfs/dbraw/zinc/41/61/79/391416179.db2.gz LQYATSYVHGWUST-DZGCQCFKSA-N 1 2 293.411 1.495 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000339984812 391533081 /nfs/dbraw/zinc/53/30/81/391533081.db2.gz SJLCSKATVSNEEG-STQMWFEESA-N 1 2 268.401 1.814 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000412378401 391617927 /nfs/dbraw/zinc/61/79/27/391617927.db2.gz ZQNQULFFBOYXHD-KGLIPLIRSA-N 1 2 296.411 1.590 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000412378401 391617930 /nfs/dbraw/zinc/61/79/30/391617930.db2.gz ZQNQULFFBOYXHD-KGLIPLIRSA-N 1 2 296.411 1.590 20 30 CDEDLO CC(C)[C@H](C(=O)NCC(C)(C)C#N)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000359644184 391607557 /nfs/dbraw/zinc/60/75/57/391607557.db2.gz DYDRMWXPEXAISS-MGPQQGTHSA-N 1 2 295.427 1.786 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000362226101 391715662 /nfs/dbraw/zinc/71/56/62/391715662.db2.gz ZJPCACQBRVCCNP-UKRRQHHQSA-N 1 2 268.401 1.768 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000360636259 391667034 /nfs/dbraw/zinc/66/70/34/391667034.db2.gz TXFMMRSQQCKEFT-HNNXBMFYSA-N 1 2 292.354 1.801 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000360636259 391667039 /nfs/dbraw/zinc/66/70/39/391667039.db2.gz TXFMMRSQQCKEFT-HNNXBMFYSA-N 1 2 292.354 1.801 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](CC)C(=O)OCC)C1=O ZINC000282024123 391669757 /nfs/dbraw/zinc/66/97/57/391669757.db2.gz PLRBFOWANKGTDI-NEPJUHHUSA-N 1 2 268.357 1.047 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](CC)C(=O)OCC)C1=O ZINC000282024123 391669760 /nfs/dbraw/zinc/66/97/60/391669760.db2.gz PLRBFOWANKGTDI-NEPJUHHUSA-N 1 2 268.357 1.047 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1cc(=O)c(OC)co1 ZINC000361996878 391705612 /nfs/dbraw/zinc/70/56/12/391705612.db2.gz RMWJSWVPKTUCRU-UHFFFAOYSA-N 1 2 253.298 1.283 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1cc(=O)c(OC)co1 ZINC000361996878 391705616 /nfs/dbraw/zinc/70/56/16/391705616.db2.gz RMWJSWVPKTUCRU-UHFFFAOYSA-N 1 2 253.298 1.283 20 30 CDEDLO C=CCC[C@@H](CO)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000413319002 391750490 /nfs/dbraw/zinc/75/04/90/391750490.db2.gz NZIYWJYNHYONRF-QWRGUYRKSA-N 1 2 266.345 1.008 20 30 CDEDLO C=CCC[C@@H](CO)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000413319002 391750492 /nfs/dbraw/zinc/75/04/92/391750492.db2.gz NZIYWJYNHYONRF-QWRGUYRKSA-N 1 2 266.345 1.008 20 30 CDEDLO C#CC[NH+](CC#C)[C@H]1CCN(c2ccccc2OC)C1=O ZINC000192608390 391726313 /nfs/dbraw/zinc/72/63/13/391726313.db2.gz KFGIHEZADAITGL-HNNXBMFYSA-N 1 2 282.343 1.369 20 30 CDEDLO COCCO[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000189669039 130006527 /nfs/dbraw/zinc/00/65/27/130006527.db2.gz MMIMQBRPVIRPNA-HNNXBMFYSA-N 1 2 278.327 1.935 20 30 CDEDLO COCCO[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000189669039 130006530 /nfs/dbraw/zinc/00/65/30/130006530.db2.gz MMIMQBRPVIRPNA-HNNXBMFYSA-N 1 2 278.327 1.935 20 30 CDEDLO COC(=O)C[C@](C)([NH2+]CC1(C#N)CC1)c1ccccn1 ZINC000351824685 391759449 /nfs/dbraw/zinc/75/94/49/391759449.db2.gz SBDYQCJEZSDALJ-AWEZNQCLSA-N 1 2 273.336 1.753 20 30 CDEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCCC[C@H]1CCO ZINC000329736131 391766312 /nfs/dbraw/zinc/76/63/12/391766312.db2.gz LGDYBHUUABVWPD-RYUDHWBXSA-N 1 2 292.383 1.418 20 30 CDEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CCCC[C@H]1CCO ZINC000329736131 391766315 /nfs/dbraw/zinc/76/63/15/391766315.db2.gz LGDYBHUUABVWPD-RYUDHWBXSA-N 1 2 292.383 1.418 20 30 CDEDLO Cn1cc(CN2CC[NH+](Cc3ccncc3)CC2)cc1C#N ZINC000191460398 130239929 /nfs/dbraw/zinc/23/99/29/130239929.db2.gz VUDOHJFKHBGKJU-UHFFFAOYSA-N 1 2 295.390 1.610 20 30 CDEDLO Cn1cc(C[NH+]2CCN(Cc3ccncc3)CC2)cc1C#N ZINC000191460398 130239932 /nfs/dbraw/zinc/23/99/32/130239932.db2.gz VUDOHJFKHBGKJU-UHFFFAOYSA-N 1 2 295.390 1.610 20 30 CDEDLO O=C(CC1CCOCC1)NCC1([NH+]2CCOCC2)CC1 ZINC000329891713 391794741 /nfs/dbraw/zinc/79/47/41/391794741.db2.gz IGQURPLIYHGOSZ-UHFFFAOYSA-N 1 2 282.384 1.624 20 30 CDEDLO C[C@@H]1C[C@H](C(=O)NCC2([NH+]3CCOCC3)CC2)CCO1 ZINC000329900679 391797150 /nfs/dbraw/zinc/79/71/50/391797150.db2.gz GHZVXQSWYGAUBR-CHWSQXEVSA-N 1 2 282.384 1.623 20 30 CDEDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CC(=O)NCC#N ZINC000334376911 392113487 /nfs/dbraw/zinc/11/34/87/392113487.db2.gz FMFFJDDUSLKPSJ-QWRGUYRKSA-N 1 2 275.327 1.773 20 30 CDEDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CC(=O)NCC#N ZINC000334376911 392113493 /nfs/dbraw/zinc/11/34/93/392113493.db2.gz FMFFJDDUSLKPSJ-QWRGUYRKSA-N 1 2 275.327 1.773 20 30 CDEDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1CC(=O)NCC#N ZINC000334376909 392113948 /nfs/dbraw/zinc/11/39/48/392113948.db2.gz FMFFJDDUSLKPSJ-GHMZBOCLSA-N 1 2 275.327 1.773 20 30 CDEDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1CC(=O)NCC#N ZINC000334376909 392113955 /nfs/dbraw/zinc/11/39/55/392113955.db2.gz FMFFJDDUSLKPSJ-GHMZBOCLSA-N 1 2 275.327 1.773 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CS[C@@H](C)C(C)C)CC1 ZINC000490778616 392538938 /nfs/dbraw/zinc/53/89/38/392538938.db2.gz HQAILTAGPDLKAT-ZDUSSCGKSA-N 1 2 268.426 1.542 20 30 CDEDLO COCC[C@@H]1COCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000361529004 392760076 /nfs/dbraw/zinc/76/00/76/392760076.db2.gz ROCAZQYMHATQJX-CQSZACIVSA-N 1 2 278.327 1.935 20 30 CDEDLO COCC[C@@H]1COCC[N@H+]1Cc1cccc(C#N)c1F ZINC000361529004 392760085 /nfs/dbraw/zinc/76/00/85/392760085.db2.gz ROCAZQYMHATQJX-CQSZACIVSA-N 1 2 278.327 1.935 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H](C)O1 ZINC000251881757 392791321 /nfs/dbraw/zinc/79/13/21/392791321.db2.gz PSKQEAIOJWWVHF-RISCZKNCSA-N 1 2 278.327 1.933 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H](C)O1 ZINC000251881757 392791326 /nfs/dbraw/zinc/79/13/26/392791326.db2.gz PSKQEAIOJWWVHF-RISCZKNCSA-N 1 2 278.327 1.933 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(=O)c(O)co1 ZINC000114206883 392921065 /nfs/dbraw/zinc/92/10/65/392921065.db2.gz BMMFZEDSRLKWNP-UHFFFAOYSA-N 1 2 270.288 1.849 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(=O)c(O)co1 ZINC000114206883 392921072 /nfs/dbraw/zinc/92/10/72/392921072.db2.gz BMMFZEDSRLKWNP-UHFFFAOYSA-N 1 2 270.288 1.849 20 30 CDEDLO CC[C@]1(O)CC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000425929923 393033966 /nfs/dbraw/zinc/03/39/66/393033966.db2.gz HMIXJJOKVBSIJJ-ZBFHGGJFSA-N 1 2 288.347 1.619 20 30 CDEDLO CC[C@]1(O)CC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000425929923 393033979 /nfs/dbraw/zinc/03/39/79/393033979.db2.gz HMIXJJOKVBSIJJ-ZBFHGGJFSA-N 1 2 288.347 1.619 20 30 CDEDLO Cc1cc(NC[C@H](C)Cn2cccn2)c(C#N)c[nH+]1 ZINC000425203819 392991863 /nfs/dbraw/zinc/99/18/63/392991863.db2.gz GOUCRYVECVRZEP-NSHDSACASA-N 1 2 255.325 1.628 20 30 CDEDLO CS(=O)(=O)[C@H]1CC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000282313882 393174148 /nfs/dbraw/zinc/17/41/48/393174148.db2.gz TZZLSISTEDTERU-AWEZNQCLSA-N 1 2 294.376 1.056 20 30 CDEDLO CS(=O)(=O)[C@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000282313882 393174157 /nfs/dbraw/zinc/17/41/57/393174157.db2.gz TZZLSISTEDTERU-AWEZNQCLSA-N 1 2 294.376 1.056 20 30 CDEDLO CC1(O)CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000331007549 393145689 /nfs/dbraw/zinc/14/56/89/393145689.db2.gz XZRHCHBDPJUYFH-ZDUSSCGKSA-N 1 2 273.336 1.981 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C\c1ccc(C#N)cc1 ZINC000216433762 393212186 /nfs/dbraw/zinc/21/21/86/393212186.db2.gz HPOMVZZIZTXZDW-SREVYHEPSA-N 1 2 266.304 1.953 20 30 CDEDLO Cc1nc(N)c(CNC(=O)C=Cc2cccc(C#N)c2)c[nH+]1 ZINC000493592364 393215946 /nfs/dbraw/zinc/21/59/46/393215946.db2.gz RCVUCRBPFDENJB-WAYWQWQTSA-N 1 2 293.330 1.399 20 30 CDEDLO CC1(C)C[N@H+](CCNC(=O)C2(C#N)CCCCC2)CCO1 ZINC000170628874 393436858 /nfs/dbraw/zinc/43/68/58/393436858.db2.gz FIZRUPKUCDXJCT-UHFFFAOYSA-N 1 2 293.411 1.687 20 30 CDEDLO CC1(C)C[N@@H+](CCNC(=O)C2(C#N)CCCCC2)CCO1 ZINC000170628874 393436865 /nfs/dbraw/zinc/43/68/65/393436865.db2.gz FIZRUPKUCDXJCT-UHFFFAOYSA-N 1 2 293.411 1.687 20 30 CDEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000362050147 397668705 /nfs/dbraw/zinc/66/87/05/397668705.db2.gz MHLMWMHECCCGCV-CYBMUJFWSA-N 1 2 294.399 1.498 20 30 CDEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000362050147 397668707 /nfs/dbraw/zinc/66/87/07/397668707.db2.gz MHLMWMHECCCGCV-CYBMUJFWSA-N 1 2 294.399 1.498 20 30 CDEDLO CNc1ccc(C#N)cc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000355640072 157160154 /nfs/dbraw/zinc/16/01/54/157160154.db2.gz CEVQPVBBHHEKGN-UHFFFAOYSA-N 1 2 269.308 1.894 20 30 CDEDLO CNc1ccc(C#N)cc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000355640072 157160157 /nfs/dbraw/zinc/16/01/57/157160157.db2.gz CEVQPVBBHHEKGN-UHFFFAOYSA-N 1 2 269.308 1.894 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000492128749 287142291 /nfs/dbraw/zinc/14/22/91/287142291.db2.gz BPQNQGGBLFFKHV-SMDDNHRTSA-N 1 2 271.320 1.756 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000492128749 287142294 /nfs/dbraw/zinc/14/22/94/287142294.db2.gz BPQNQGGBLFFKHV-SMDDNHRTSA-N 1 2 271.320 1.756 20 30 CDEDLO COCC[NH+]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000333279711 292538406 /nfs/dbraw/zinc/53/84/06/292538406.db2.gz JFWHCNQSMKJAMZ-MRXNPFEDSA-N 1 2 291.395 1.251 20 30 CDEDLO C=CCNC(=O)[C@@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000007177440 170269923 /nfs/dbraw/zinc/26/99/23/170269923.db2.gz SJZNMIPYPWNUJL-MRVPVSSYSA-N 1 2 252.343 1.150 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000020463042 171209397 /nfs/dbraw/zinc/20/93/97/171209397.db2.gz XKIQAADOKYBXCC-UHFFFAOYSA-N 1 2 266.291 1.909 20 30 CDEDLO N#Cc1ccc(CS(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000020544514 171243052 /nfs/dbraw/zinc/24/30/52/171243052.db2.gz WJQPHIDBKQSZBH-UHFFFAOYSA-N 1 2 273.317 1.317 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)s1 ZINC000284755475 196125078 /nfs/dbraw/zinc/12/50/78/196125078.db2.gz VZMJRVNMGXUMLZ-KFWWJZLASA-N 1 2 292.404 1.982 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)s1 ZINC000284755475 196125080 /nfs/dbraw/zinc/12/50/80/196125080.db2.gz VZMJRVNMGXUMLZ-KFWWJZLASA-N 1 2 292.404 1.982 20 30 CDEDLO COC(=O)[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000285134425 196204209 /nfs/dbraw/zinc/20/42/09/196204209.db2.gz SNXARRFEJRKRKD-KBPBESRZSA-N 1 2 274.320 1.133 20 30 CDEDLO C=C[C@](C)(O)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000665444988 414189535 /nfs/dbraw/zinc/18/95/35/414189535.db2.gz CWXDGSJYUJTKJK-INIZCTEOSA-N 1 2 290.363 1.394 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000662168029 414548199 /nfs/dbraw/zinc/54/81/99/414548199.db2.gz PSRSRDRYSWWBTG-MNOVXSKESA-N 1 2 299.168 1.112 20 30 CDEDLO CO[C@H]1C[C@@H](C(=O)Nc2ccc3nc[nH]c3c2)[N@H+](C)C1 ZINC000329143737 227325468 /nfs/dbraw/zinc/32/54/68/227325468.db2.gz VSVLXRZYOFUQCL-GWCFXTLKSA-N 1 2 274.324 1.870 20 30 CDEDLO CO[C@H]1C[C@@H](C(=O)Nc2ccc3nc[nH]c3c2)[N@@H+](C)C1 ZINC000329143737 227325474 /nfs/dbraw/zinc/32/54/74/227325474.db2.gz VSVLXRZYOFUQCL-GWCFXTLKSA-N 1 2 274.324 1.870 20 30 CDEDLO CCS(=O)(=O)C1C[NH+](CC(C)(C)CCC#N)C1 ZINC000418078409 228012638 /nfs/dbraw/zinc/01/26/38/228012638.db2.gz VUIXNAZSAUPOKO-UHFFFAOYSA-N 1 2 258.387 1.435 20 30 CDEDLO [O-]C(NC[C@@H]1CCCOC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330174311 228056464 /nfs/dbraw/zinc/05/64/64/228056464.db2.gz IAFVZLKSOICCLT-RYUDHWBXSA-N 1 2 278.356 1.128 20 30 CDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@@H]1CCCOC1 ZINC000330174311 228056467 /nfs/dbraw/zinc/05/64/67/228056467.db2.gz IAFVZLKSOICCLT-RYUDHWBXSA-N 1 2 278.356 1.128 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCCOCC1 ZINC000330271614 228087712 /nfs/dbraw/zinc/08/77/12/228087712.db2.gz WEIDRCYMIBCVRI-OLZOCXBDSA-N 1 2 270.373 1.480 20 30 CDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]CC1(O)CCCC1 ZINC000330282540 228091986 /nfs/dbraw/zinc/09/19/86/228091986.db2.gz VKGGMKZZHWTUOZ-NSHDSACASA-N 1 2 278.356 1.007 20 30 CDEDLO [O-]C(NCC1(O)CCCC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330282540 228091987 /nfs/dbraw/zinc/09/19/87/228091987.db2.gz VKGGMKZZHWTUOZ-NSHDSACASA-N 1 2 278.356 1.007 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1scnc1C ZINC000066565291 260247310 /nfs/dbraw/zinc/24/73/10/260247310.db2.gz USQRFOHVCJKNDT-LLVKDONJSA-N 1 2 294.424 1.892 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1scnc1C ZINC000066565291 260247312 /nfs/dbraw/zinc/24/73/12/260247312.db2.gz USQRFOHVCJKNDT-LLVKDONJSA-N 1 2 294.424 1.892 20 30 CDEDLO CCS(=O)(=O)c1ccc(C[NH2+]CCC#N)s1 ZINC000518170678 260348238 /nfs/dbraw/zinc/34/82/38/260348238.db2.gz FHCRIJWOLRGZFQ-UHFFFAOYSA-N 1 2 258.368 1.545 20 30 CDEDLO C#CCN(CC)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000490739211 261195520 /nfs/dbraw/zinc/19/55/20/261195520.db2.gz BRAWTGXJYCWPDY-UHFFFAOYSA-N 1 2 288.395 1.114 20 30 CDEDLO C=CCSCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160877668 262303131 /nfs/dbraw/zinc/30/31/31/262303131.db2.gz PIHCDDZERWFZCK-LLVKDONJSA-N 1 2 265.382 1.481 20 30 CDEDLO C=CCn1cccc1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000488499111 262329647 /nfs/dbraw/zinc/32/96/47/262329647.db2.gz HMCDZTUVLNYMGN-ZDUSSCGKSA-N 1 2 277.368 1.125 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)CC[S@@]1=O ZINC000277118815 263039664 /nfs/dbraw/zinc/03/96/64/263039664.db2.gz HRDJKAJNQNHDSF-RBZFPXEDSA-N 1 2 292.404 1.932 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)CC[S@@]1=O ZINC000277118815 263039665 /nfs/dbraw/zinc/03/96/65/263039665.db2.gz HRDJKAJNQNHDSF-RBZFPXEDSA-N 1 2 292.404 1.932 20 30 CDEDLO CCOCC[C@H](O)C[N@H+](CCC#N)Cc1ccccn1 ZINC000277672679 263042901 /nfs/dbraw/zinc/04/29/01/263042901.db2.gz JXBZPUXFBVFVAW-HNNXBMFYSA-N 1 2 277.368 1.585 20 30 CDEDLO CCOCC[C@H](O)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000277672679 263042902 /nfs/dbraw/zinc/04/29/02/263042902.db2.gz JXBZPUXFBVFVAW-HNNXBMFYSA-N 1 2 277.368 1.585 20 30 CDEDLO C[C@H]1CCC[C@](C#N)(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000279431267 263055353 /nfs/dbraw/zinc/05/53/53/263055353.db2.gz MJQICDLCOKSWPT-FZMZJTMJSA-N 1 2 260.341 1.931 20 30 CDEDLO CC1(C#N)CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000280526758 263062530 /nfs/dbraw/zinc/06/25/30/263062530.db2.gz RNZAXURKRRDEPK-UHFFFAOYSA-N 1 2 280.331 1.917 20 30 CDEDLO N#CCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000280789662 263064469 /nfs/dbraw/zinc/06/44/69/263064469.db2.gz QTGDYNIYQDPCNB-CABCVRRESA-N 1 2 285.347 1.012 20 30 CDEDLO N#CCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000280789662 263064470 /nfs/dbraw/zinc/06/44/70/263064470.db2.gz QTGDYNIYQDPCNB-CABCVRRESA-N 1 2 285.347 1.012 20 30 CDEDLO COc1cccc(CO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000284057902 263085546 /nfs/dbraw/zinc/08/55/46/263085546.db2.gz JNXHKMAZFSGWRT-LBPRGKRZSA-N 1 2 250.298 1.663 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)NCCCNc1cccc[nH+]1 ZINC000285650953 263094679 /nfs/dbraw/zinc/09/46/79/263094679.db2.gz ZWCZFBMDXYNSLJ-AWEZNQCLSA-N 1 2 260.341 1.940 20 30 CDEDLO COC(=O)c1cc(C[N@H+](C)[C@H](C)CC#N)n(C)c1C ZINC000291256471 263121175 /nfs/dbraw/zinc/12/11/75/263121175.db2.gz RVOZFETXZREJRG-SNVBAGLBSA-N 1 2 263.341 1.854 20 30 CDEDLO COC(=O)c1cc(C[N@@H+](C)[C@H](C)CC#N)n(C)c1C ZINC000291256471 263121176 /nfs/dbraw/zinc/12/11/76/263121176.db2.gz RVOZFETXZREJRG-SNVBAGLBSA-N 1 2 263.341 1.854 20 30 CDEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N(C)CCC#N ZINC000298596773 263222681 /nfs/dbraw/zinc/22/26/81/263222681.db2.gz SBOZKUBYKHJCHY-HNNXBMFYSA-N 1 2 283.375 1.882 20 30 CDEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N(C)CCC#N ZINC000298596773 263222683 /nfs/dbraw/zinc/22/26/83/263222683.db2.gz SBOZKUBYKHJCHY-HNNXBMFYSA-N 1 2 283.375 1.882 20 30 CDEDLO N#C[C@H](C(=O)C[NH+]1CCCC1)c1nc2ccccc2c(=O)[nH]1 ZINC000298699998 263224659 /nfs/dbraw/zinc/22/46/59/263224659.db2.gz IWXLSTFBXXWOEA-GFCCVEGCSA-N 1 2 296.330 1.607 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000121247559 263290745 /nfs/dbraw/zinc/29/07/45/263290745.db2.gz AGGYFNLMRCRXCW-UHFFFAOYSA-N 1 2 280.412 1.982 20 30 CDEDLO CC(C)[C@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CCO1 ZINC000330750726 264029083 /nfs/dbraw/zinc/02/90/83/264029083.db2.gz WMPXWCHMOZQPOD-UKRRQHHQSA-N 1 2 281.400 1.398 20 30 CDEDLO CC(C)[C@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CCO1 ZINC000330750726 264029084 /nfs/dbraw/zinc/02/90/84/264029084.db2.gz WMPXWCHMOZQPOD-UKRRQHHQSA-N 1 2 281.400 1.398 20 30 CDEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1nccs1 ZINC000330858921 264055444 /nfs/dbraw/zinc/05/54/44/264055444.db2.gz TZVXUKDLHMWNRE-BDAKNGLRSA-N 1 2 250.327 1.363 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000330984405 264103255 /nfs/dbraw/zinc/10/32/55/264103255.db2.gz KLJUPEQCHKLGGA-CQSZACIVSA-N 1 2 291.399 1.025 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cc(C(=O)OC)c(C)o2)nn1 ZINC000425358241 264138609 /nfs/dbraw/zinc/13/86/09/264138609.db2.gz SWKJHDNGQUXNNV-UHFFFAOYSA-N 1 2 290.323 1.442 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000331132778 264149177 /nfs/dbraw/zinc/14/91/77/264149177.db2.gz JOPRZOGMMBUKFI-NSHDSACASA-N 1 2 285.388 1.316 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000331132778 264149178 /nfs/dbraw/zinc/14/91/78/264149178.db2.gz JOPRZOGMMBUKFI-NSHDSACASA-N 1 2 285.388 1.316 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331332073 264191966 /nfs/dbraw/zinc/19/19/66/264191966.db2.gz SAKHXQVJNKGETL-CZUORRHYSA-N 1 2 295.427 1.788 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331332073 264191964 /nfs/dbraw/zinc/19/19/64/264191964.db2.gz SAKHXQVJNKGETL-CZUORRHYSA-N 1 2 295.427 1.788 20 30 CDEDLO C=CCCn1cc(C[NH+]2CCC(N(C)C(C)=O)CC2)nn1 ZINC000653525122 424242349 /nfs/dbraw/zinc/24/23/49/424242349.db2.gz BGNONKBWYXLIBU-UHFFFAOYSA-N 1 2 291.399 1.297 20 30 CDEDLO C=CCCn1cc(C[N@@H+](CC)CCOCC)nn1 ZINC000653554602 424275349 /nfs/dbraw/zinc/27/53/49/424275349.db2.gz MESAWBYNXIJONV-UHFFFAOYSA-N 1 2 252.362 1.713 20 30 CDEDLO C=CCCn1cc(C[N@H+](CC)CCOCC)nn1 ZINC000653554602 424275355 /nfs/dbraw/zinc/27/53/55/424275355.db2.gz MESAWBYNXIJONV-UHFFFAOYSA-N 1 2 252.362 1.713 20 30 CDEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(C(C)(C)C#N)n2)C1 ZINC000349847118 265210380 /nfs/dbraw/zinc/21/03/80/265210380.db2.gz GROJZNAITKRPSL-JTQLQIEISA-N 1 2 264.329 1.652 20 30 CDEDLO CC(C)[N@H+]1CCO[C@H](c2noc(C(C)(C)C#N)n2)C1 ZINC000349847118 265210383 /nfs/dbraw/zinc/21/03/83/265210383.db2.gz GROJZNAITKRPSL-JTQLQIEISA-N 1 2 264.329 1.652 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000518963789 265251608 /nfs/dbraw/zinc/25/16/08/265251608.db2.gz QGRGYHZSHYSTEW-HZSPNIEDSA-N 1 2 289.379 1.969 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CCC(F)(F)F ZINC000353383102 266038239 /nfs/dbraw/zinc/03/82/39/266038239.db2.gz BPQSEJRGWBSVQT-SNVBAGLBSA-N 1 2 279.306 1.879 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CCC(F)(F)F ZINC000353383102 266038241 /nfs/dbraw/zinc/03/82/41/266038241.db2.gz BPQSEJRGWBSVQT-SNVBAGLBSA-N 1 2 279.306 1.879 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000362807743 267049466 /nfs/dbraw/zinc/04/94/66/267049466.db2.gz WDQKXOHMFOLDFP-KBPBESRZSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CCC[C@@H](NCc1c[nH+]cn1CC)C(=O)OCC ZINC000418116450 267130438 /nfs/dbraw/zinc/13/04/38/267130438.db2.gz QFHZKYUPXIGZMQ-CYBMUJFWSA-N 1 2 265.357 1.891 20 30 CDEDLO C[N@H+](CC(=O)NCc1cccc(C#N)c1)CC(C)(C)C#N ZINC000433307164 267297930 /nfs/dbraw/zinc/29/79/30/267297930.db2.gz UQHJOVCJXYUUDG-UHFFFAOYSA-N 1 2 284.363 1.656 20 30 CDEDLO C[N@@H+](CC(=O)NCc1cccc(C#N)c1)CC(C)(C)C#N ZINC000433307164 267297932 /nfs/dbraw/zinc/29/79/32/267297932.db2.gz UQHJOVCJXYUUDG-UHFFFAOYSA-N 1 2 284.363 1.656 20 30 CDEDLO Cc1cc(NC[C@H]2CCC[C@@H](CO)C2)c(C#N)c[nH+]1 ZINC000399080046 267300271 /nfs/dbraw/zinc/30/02/71/267300271.db2.gz RNBCVGUTMYZGCV-QWHCGFSZSA-N 1 2 259.353 1.894 20 30 CDEDLO COCC[N@H+](CC#Cc1ccc(Cl)cc1)[C@@H](C)C(N)=O ZINC000177144615 277214060 /nfs/dbraw/zinc/21/40/60/277214060.db2.gz NFHZBGIGVAKFII-LBPRGKRZSA-N 1 2 294.782 1.514 20 30 CDEDLO COCC[N@@H+](CC#Cc1ccc(Cl)cc1)[C@@H](C)C(N)=O ZINC000177144615 277214062 /nfs/dbraw/zinc/21/40/62/277214062.db2.gz NFHZBGIGVAKFII-LBPRGKRZSA-N 1 2 294.782 1.514 20 30 CDEDLO Cc1cc(N[C@H]2CCc3n[nH]cc3C2)c(C#N)c[nH+]1 ZINC000425230690 280300961 /nfs/dbraw/zinc/30/09/61/280300961.db2.gz RQTHYZNXONRSII-LBPRGKRZSA-N 1 2 253.309 1.376 20 30 CDEDLO Cn1c[nH+]c2cc(Nc3cc(C#N)ncn3)ccc21 ZINC000258796203 289391861 /nfs/dbraw/zinc/39/18/61/289391861.db2.gz LWWJXLHQDRPJAM-UHFFFAOYSA-N 1 2 250.265 1.979 20 30 CDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@]3(C#N)CC34CCCC4)C[C@H]21 ZINC000333507763 290095171 /nfs/dbraw/zinc/09/51/71/290095171.db2.gz DNAXFNDBBCIAPW-XJKCOSOUSA-N 1 2 289.379 1.002 20 30 CDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)[C@]3(C#N)CC34CCCC4)C[C@H]21 ZINC000333507763 290095172 /nfs/dbraw/zinc/09/51/72/290095172.db2.gz DNAXFNDBBCIAPW-XJKCOSOUSA-N 1 2 289.379 1.002 20 30 CDEDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000568408420 294031749 /nfs/dbraw/zinc/03/17/49/294031749.db2.gz MOFKHRMAZWZHOO-CQSZACIVSA-N 1 2 272.352 1.444 20 30 CDEDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000568408420 294031751 /nfs/dbraw/zinc/03/17/51/294031751.db2.gz MOFKHRMAZWZHOO-CQSZACIVSA-N 1 2 272.352 1.444 20 30 CDEDLO CC1(C)C[NH+](Cc2cnc3c(C#N)cnn3c2)CC(C)(C)O1 ZINC000568512617 294050042 /nfs/dbraw/zinc/05/00/42/294050042.db2.gz YXALOPWHMZQZLN-UHFFFAOYSA-N 1 2 299.378 1.990 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2nc(=O)[nH][nH]2)cc1 ZINC000289444352 303190571 /nfs/dbraw/zinc/19/05/71/303190571.db2.gz WTWINHGLZMLYHV-ZDUSSCGKSA-N 1 2 283.335 1.697 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2nc(=O)[nH][nH]2)cc1 ZINC000289444352 303190574 /nfs/dbraw/zinc/19/05/74/303190574.db2.gz WTWINHGLZMLYHV-ZDUSSCGKSA-N 1 2 283.335 1.697 20 30 CDEDLO CC[C@@H](CC#N)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000563366523 328059413 /nfs/dbraw/zinc/05/94/13/328059413.db2.gz ISKBDXOUJMGWHA-AAEUAGOBSA-N 1 2 275.356 1.197 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)nc1 ZINC000578707561 324000199 /nfs/dbraw/zinc/00/01/99/324000199.db2.gz VPGHPTZUWNOORW-KGLIPLIRSA-N 1 2 270.336 1.196 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)nc1 ZINC000578707561 324000202 /nfs/dbraw/zinc/00/02/02/324000202.db2.gz VPGHPTZUWNOORW-KGLIPLIRSA-N 1 2 270.336 1.196 20 30 CDEDLO Cc1cc(N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000582356341 324958874 /nfs/dbraw/zinc/95/88/74/324958874.db2.gz OGEJYRKPLVGMBH-QWHCGFSZSA-N 1 2 293.392 1.451 20 30 CDEDLO C=C1CC[NH+]([C@@H](C)c2nc(N)nc(N(C)C)n2)CC1 ZINC000533420561 326830619 /nfs/dbraw/zinc/83/06/19/326830619.db2.gz MEAVPMYXDPBFNX-JTQLQIEISA-N 1 2 262.361 1.063 20 30 CDEDLO N#CC1(CNC(=O)NCCCCNc2cccc[nH+]2)CC1 ZINC000557623168 327017031 /nfs/dbraw/zinc/01/70/31/327017031.db2.gz UXMCEMUVQYFHPM-UHFFFAOYSA-N 1 2 287.367 1.877 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000565836875 327033230 /nfs/dbraw/zinc/03/32/30/327033230.db2.gz VLHRMNJZJKBTRN-NFAWXSAZSA-N 1 2 277.368 1.932 20 30 CDEDLO Cc1cnc([C@H](C)[NH2+]CC(=O)NC2(C#N)CCC2)s1 ZINC000527376971 328687461 /nfs/dbraw/zinc/68/74/61/328687461.db2.gz SRMLLYSTXVHKBN-JTQLQIEISA-N 1 2 278.381 1.665 20 30 CDEDLO C=CCOCCCC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000173050290 329142827 /nfs/dbraw/zinc/14/28/27/329142827.db2.gz JYSGTSWXKOJCQZ-UHFFFAOYSA-N 1 2 284.400 1.196 20 30 CDEDLO C=CCOCCCC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000173050290 329142829 /nfs/dbraw/zinc/14/28/29/329142829.db2.gz JYSGTSWXKOJCQZ-UHFFFAOYSA-N 1 2 284.400 1.196 20 30 CDEDLO C=CC[N@@H+](CCCS(=O)(=O)c1ccccc1)CCOC ZINC000189425128 329382463 /nfs/dbraw/zinc/38/24/63/329382463.db2.gz AFEYQGXPAGNKAY-UHFFFAOYSA-N 1 2 297.420 1.985 20 30 CDEDLO C=CC[N@H+](CCCS(=O)(=O)c1ccccc1)CCOC ZINC000189425128 329382464 /nfs/dbraw/zinc/38/24/64/329382464.db2.gz AFEYQGXPAGNKAY-UHFFFAOYSA-N 1 2 297.420 1.985 20 30 CDEDLO C=CCN(CCOC)C(=O)NCCCn1cc[nH+]c1 ZINC000190255491 329393942 /nfs/dbraw/zinc/39/39/42/329393942.db2.gz XKTJQARSAHXNAY-UHFFFAOYSA-N 1 2 266.345 1.117 20 30 CDEDLO CC[C@H]1C[NH+](CC(=O)NC2(C#N)CCC2)C[C@H](CC)O1 ZINC000420955459 329790770 /nfs/dbraw/zinc/79/07/70/329790770.db2.gz LRAGPXCBOQEOJD-STQMWFEESA-N 1 2 279.384 1.438 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCCCC#N ZINC000434177012 330636576 /nfs/dbraw/zinc/63/65/76/330636576.db2.gz JUENXLNUASEHEM-CYBMUJFWSA-N 1 2 282.388 1.042 20 30 CDEDLO C=CC(C)(C)CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000454333489 331144251 /nfs/dbraw/zinc/14/42/51/331144251.db2.gz CYVGSTHCYNWPCR-NSHDSACASA-N 1 2 250.346 1.783 20 30 CDEDLO C[C@@H](NC(=O)N(C)CC(C)(C)C#N)[C@H](C)[NH+]1CCOCC1 ZINC000458321786 331248578 /nfs/dbraw/zinc/24/85/78/331248578.db2.gz XQYHMMUJPZGUKX-OLZOCXBDSA-N 1 2 296.415 1.287 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)NCc1c[nH+]ccc1OC ZINC000458811940 331260855 /nfs/dbraw/zinc/26/08/55/331260855.db2.gz NMJRDSCOHHBXTB-NSHDSACASA-N 1 2 279.340 1.074 20 30 CDEDLO C=CCn1cccc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000490016705 332076738 /nfs/dbraw/zinc/07/67/38/332076738.db2.gz HQCDYNFPXMWEHE-ZDUSSCGKSA-N 1 2 272.352 1.937 20 30 CDEDLO C#CC[NH+]1CCN(c2nc(C)cc(C(F)(F)F)n2)CC1 ZINC000490950291 332132316 /nfs/dbraw/zinc/13/23/16/332132316.db2.gz PPCZYEMRTSDKSV-UHFFFAOYSA-N 1 2 284.285 1.559 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccoc3)n2CC=C)CC1 ZINC000491044737 332142634 /nfs/dbraw/zinc/14/26/34/332142634.db2.gz IPQXEUWUPFLIQR-UHFFFAOYSA-N 1 2 297.362 1.479 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2CC)CC1 ZINC000491103513 332150158 /nfs/dbraw/zinc/15/01/58/332150158.db2.gz PIBRGTZKAOSCBK-UHFFFAOYSA-N 1 2 287.411 1.711 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)c1cc(C)n(CCOC)c1C ZINC000491371794 332198798 /nfs/dbraw/zinc/19/87/98/332198798.db2.gz GVORWJHDRULJCP-LBPRGKRZSA-N 1 2 276.380 1.888 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)c1cc(C)n(CCOC)c1C ZINC000491371794 332198796 /nfs/dbraw/zinc/19/87/96/332198796.db2.gz GVORWJHDRULJCP-LBPRGKRZSA-N 1 2 276.380 1.888 20 30 CDEDLO C#C[C@@H]1COCCN1C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000491716017 332305959 /nfs/dbraw/zinc/30/59/59/332305959.db2.gz LUPHWSAPQAHEBK-CQSZACIVSA-N 1 2 298.346 1.186 20 30 CDEDLO C#CC[N@@H+](C[C@H](CC(C)C)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000491735551 332316144 /nfs/dbraw/zinc/31/61/44/332316144.db2.gz UHMIQPVKHYFJRG-KGLIPLIRSA-N 1 2 287.425 1.170 20 30 CDEDLO C#CC[N@H+](C[C@H](CC(C)C)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000491735551 332316145 /nfs/dbraw/zinc/31/61/45/332316145.db2.gz UHMIQPVKHYFJRG-KGLIPLIRSA-N 1 2 287.425 1.170 20 30 CDEDLO C#CCN(CC)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000491773801 332339824 /nfs/dbraw/zinc/33/98/24/332339824.db2.gz CPSYVSKREJRJGD-LBPRGKRZSA-N 1 2 260.341 1.536 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(C)nc2)n1 ZINC000491783081 332346656 /nfs/dbraw/zinc/34/66/56/332346656.db2.gz OXSNOXFVIJDSHG-UHFFFAOYSA-N 1 2 298.390 1.868 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(C)nc2)n1 ZINC000491783081 332346657 /nfs/dbraw/zinc/34/66/57/332346657.db2.gz OXSNOXFVIJDSHG-UHFFFAOYSA-N 1 2 298.390 1.868 20 30 CDEDLO C#CCn1ccc(CN(CCOC)c2nc(C)[nH+]cc2C)n1 ZINC000491788709 332351031 /nfs/dbraw/zinc/35/10/31/332351031.db2.gz YFZPZHZRBMYAIY-UHFFFAOYSA-N 1 2 299.378 1.576 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)[C@@H](C)N(c2ccccc2)C1=O ZINC000491817872 332368072 /nfs/dbraw/zinc/36/80/72/332368072.db2.gz JRQYJPQBFIDLTR-CHWSQXEVSA-N 1 2 285.347 1.755 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)[C@@H](C)N(c2ccccc2)C1=O ZINC000491817872 332368073 /nfs/dbraw/zinc/36/80/73/332368073.db2.gz JRQYJPQBFIDLTR-CHWSQXEVSA-N 1 2 285.347 1.755 20 30 CDEDLO CC[C@@H](CC#N)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000547294538 334076222 /nfs/dbraw/zinc/07/62/22/334076222.db2.gz UGOOIPKIANLXGS-LBPRGKRZSA-N 1 2 270.336 1.994 20 30 CDEDLO COc1ccc(O)c(/C=[NH+]/CCCN2CCOC2=O)c1 ZINC000077166000 334097146 /nfs/dbraw/zinc/09/71/46/334097146.db2.gz KIPDXJJSVXDVRL-XNTDXEJSSA-N 1 2 278.308 1.662 20 30 CDEDLO CC#CCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000135066079 334114296 /nfs/dbraw/zinc/11/42/96/334114296.db2.gz STZHAWKJXWARQO-UHFFFAOYSA-N 1 2 286.379 1.894 20 30 CDEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H](CO)O1 ZINC000249381533 334332983 /nfs/dbraw/zinc/33/29/83/334332983.db2.gz QLDXENNBKNNZRT-DOMZBBRYSA-N 1 2 263.312 1.259 20 30 CDEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H](CO)O1 ZINC000249381533 334332985 /nfs/dbraw/zinc/33/29/85/334332985.db2.gz QLDXENNBKNNZRT-DOMZBBRYSA-N 1 2 263.312 1.259 20 30 CDEDLO COC(=O)c1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000555480779 334479716 /nfs/dbraw/zinc/47/97/16/334479716.db2.gz UIIMZIDJFOTSBV-HNNXBMFYSA-N 1 2 289.335 1.047 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N1CCc2ccccc21 ZINC000576646623 335230586 /nfs/dbraw/zinc/23/05/86/335230586.db2.gz FTWBIJGTMIXGNI-ZDUSSCGKSA-N 1 2 257.337 1.858 20 30 CDEDLO Cc1ccc(C[NH2+]CCC#N)cc1S(C)(=O)=O ZINC000580544577 335277035 /nfs/dbraw/zinc/27/70/35/335277035.db2.gz QEAGFBOKKZLOMJ-UHFFFAOYSA-N 1 2 252.339 1.402 20 30 CDEDLO Cn1ccnc1[C@H]([NH2+]C[C@@H](C#N)CCC#N)C1CC1 ZINC000581126886 336011801 /nfs/dbraw/zinc/01/18/01/336011801.db2.gz HHVIGPKVKZYKBG-DGCLKSJQSA-N 1 2 257.341 1.904 20 30 CDEDLO CCC(C)(C)OCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000581827178 336148388 /nfs/dbraw/zinc/14/83/88/336148388.db2.gz GSVCZJFUPCAQIT-CYBMUJFWSA-N 1 2 255.362 1.152 20 30 CDEDLO CC[N@H+](CCc1nc(C(C)=O)c(C)[nH]1)C[C@H](C)C#N ZINC000677478154 482679736 /nfs/dbraw/zinc/67/97/36/482679736.db2.gz PFMMJHBMFPQMIM-SNVBAGLBSA-N 1 2 262.357 1.945 20 30 CDEDLO CC[N@@H+](CCc1nc(C(C)=O)c(C)[nH]1)C[C@H](C)C#N ZINC000677478154 482679740 /nfs/dbraw/zinc/67/97/40/482679740.db2.gz PFMMJHBMFPQMIM-SNVBAGLBSA-N 1 2 262.357 1.945 20 30 CDEDLO CCC[C@H]1C[N@H+](CC#CCOC)CCN1CC#CCOC ZINC000677479881 482682892 /nfs/dbraw/zinc/68/28/92/482682892.db2.gz UDPULHIKNDNLAF-KRWDZBQOSA-N 1 2 292.423 1.072 20 30 CDEDLO CCC[C@H]1C[N@@H+](CC#CCOC)CCN1CC#CCOC ZINC000677479881 482682894 /nfs/dbraw/zinc/68/28/94/482682894.db2.gz UDPULHIKNDNLAF-KRWDZBQOSA-N 1 2 292.423 1.072 20 30 CDEDLO CC[N@H+](CC#CCOC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000677817182 482791859 /nfs/dbraw/zinc/79/18/59/482791859.db2.gz KSPFDUGJPDBAEQ-UHFFFAOYSA-N 1 2 285.347 1.807 20 30 CDEDLO CC[N@@H+](CC#CCOC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000677817182 482791864 /nfs/dbraw/zinc/79/18/64/482791864.db2.gz KSPFDUGJPDBAEQ-UHFFFAOYSA-N 1 2 285.347 1.807 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2cccc3c2OCO3)nn1 ZINC000657323679 482851407 /nfs/dbraw/zinc/85/14/07/482851407.db2.gz JSPXEIWOSXDHTB-UHFFFAOYSA-N 1 2 286.335 1.873 20 30 CDEDLO C=C[C@H](O)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000667112966 483094676 /nfs/dbraw/zinc/09/46/76/483094676.db2.gz YHWMERNPXQVTIQ-AWEZNQCLSA-N 1 2 276.336 1.004 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccnn2CC2CC2)C1=O ZINC000668100605 483564147 /nfs/dbraw/zinc/56/41/47/483564147.db2.gz RQRHYBSSLJQHBA-HNNXBMFYSA-N 1 2 288.395 1.512 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccnn2CC2CC2)C1=O ZINC000668100605 483564151 /nfs/dbraw/zinc/56/41/51/483564151.db2.gz RQRHYBSSLJQHBA-HNNXBMFYSA-N 1 2 288.395 1.512 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccsn2)CC1 ZINC001113000164 1162066353 /nfs/dbraw/zinc/06/63/53/1162066353.db2.gz SCWDTPPZYPSVCS-UHFFFAOYSA-N 1 2 281.381 1.104 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)C2(COC)CCC2)CC1 ZINC001113120932 1162105489 /nfs/dbraw/zinc/10/54/89/1162105489.db2.gz VYNVUFSVYYBZIS-UHFFFAOYSA-N 1 2 296.411 1.150 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000277501895 522036747 /nfs/dbraw/zinc/03/67/47/522036747.db2.gz PLOCYLRTCLNJHF-FKIZINRSSA-N 1 2 292.404 1.767 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000277501895 522036764 /nfs/dbraw/zinc/03/67/64/522036764.db2.gz PLOCYLRTCLNJHF-FKIZINRSSA-N 1 2 292.404 1.767 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCCCCOCC)CC1 ZINC001113703592 1162260087 /nfs/dbraw/zinc/26/00/87/1162260087.db2.gz CZFCCHWGJAQBHF-UHFFFAOYSA-N 1 2 268.401 1.914 20 30 CDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000045162079 525927666 /nfs/dbraw/zinc/92/76/66/525927666.db2.gz JTQNGHLZZQEFJL-ZDUSSCGKSA-N 1 2 298.346 1.729 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000364912636 526641886 /nfs/dbraw/zinc/64/18/86/526641886.db2.gz CGGARDMAPAHBKZ-TUKIKUTGSA-N 1 2 287.338 1.783 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000364912636 526641890 /nfs/dbraw/zinc/64/18/90/526641890.db2.gz CGGARDMAPAHBKZ-TUKIKUTGSA-N 1 2 287.338 1.783 20 30 CDEDLO C=C(C)COCCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000354953665 526650000 /nfs/dbraw/zinc/65/00/00/526650000.db2.gz RTIMDSCZCQXSMG-OAHLLOKOSA-N 1 2 296.411 1.196 20 30 CDEDLO C=C(C)COCCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000354953665 526650006 /nfs/dbraw/zinc/65/00/06/526650006.db2.gz RTIMDSCZCQXSMG-OAHLLOKOSA-N 1 2 296.411 1.196 20 30 CDEDLO Cc1nc(C)c(C#N)c(SCC[N@H+]2CCOC[C@H]2C)n1 ZINC000188290620 526687791 /nfs/dbraw/zinc/68/77/91/526687791.db2.gz UBCYATFRADSSBN-SNVBAGLBSA-N 1 2 292.408 1.778 20 30 CDEDLO Cc1nc(C)c(C#N)c(SCC[N@@H+]2CCOC[C@H]2C)n1 ZINC000188290620 526687799 /nfs/dbraw/zinc/68/77/99/526687799.db2.gz UBCYATFRADSSBN-SNVBAGLBSA-N 1 2 292.408 1.778 20 30 CDEDLO C=CCn1cccc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000336022539 527382973 /nfs/dbraw/zinc/38/29/73/527382973.db2.gz GHMNXVBYLMIZQO-UHFFFAOYSA-N 1 2 256.309 1.527 20 30 CDEDLO CC1(C)C[C@]1(C#N)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000331953990 527769067 /nfs/dbraw/zinc/76/90/67/527769067.db2.gz KMNWMQYTOSUBIO-CQSZACIVSA-N 1 2 285.338 1.772 20 30 CDEDLO CC1(C)[C@H](O)C[C@H]1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000330288311 527888444 /nfs/dbraw/zinc/88/84/44/527888444.db2.gz CYNCPUBJZIUIRM-VXGBXAGGSA-N 1 2 292.383 1.382 20 30 CDEDLO CC[N@@H+]1CCN(S(=O)(=O)CCCCC#N)[C@H](C)C1 ZINC000352603590 529150205 /nfs/dbraw/zinc/15/02/05/529150205.db2.gz LRVHHSOKKYCWJF-GFCCVEGCSA-N 1 2 273.402 1.036 20 30 CDEDLO CC[N@H+]1CCN(S(=O)(=O)CCCCC#N)[C@H](C)C1 ZINC000352603590 529150206 /nfs/dbraw/zinc/15/02/06/529150206.db2.gz LRVHHSOKKYCWJF-GFCCVEGCSA-N 1 2 273.402 1.036 20 30 CDEDLO COCC[N@H+](CCC#N)Cc1cccc2c[nH]nc21 ZINC000093100021 1174426520 /nfs/dbraw/zinc/42/65/20/1174426520.db2.gz ZSPVNASWOVAEEU-UHFFFAOYSA-N 1 2 258.325 1.925 20 30 CDEDLO COCC[N@@H+](CCC#N)Cc1cccc2c[nH]nc21 ZINC000093100021 1174426523 /nfs/dbraw/zinc/42/65/23/1174426523.db2.gz ZSPVNASWOVAEEU-UHFFFAOYSA-N 1 2 258.325 1.925 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000245962634 536877449 /nfs/dbraw/zinc/87/74/49/536877449.db2.gz VBEFXRPDPGAMFW-HUUCEWRRSA-N 1 2 299.374 1.810 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000245962634 536877452 /nfs/dbraw/zinc/87/74/52/536877452.db2.gz VBEFXRPDPGAMFW-HUUCEWRRSA-N 1 2 299.374 1.810 20 30 CDEDLO O=C(NC1CCOCC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329990951 538857548 /nfs/dbraw/zinc/85/75/48/538857548.db2.gz JMACLEVSOGSYCJ-CQSZACIVSA-N 1 2 282.384 1.765 20 30 CDEDLO O=C(NC1CCOCC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329990951 538857556 /nfs/dbraw/zinc/85/75/56/538857556.db2.gz JMACLEVSOGSYCJ-CQSZACIVSA-N 1 2 282.384 1.765 20 30 CDEDLO COCCO[NH+]=Cc1c(Cl)nc(N)nc1N1CCCC1 ZINC000748791853 574525622 /nfs/dbraw/zinc/52/56/22/574525622.db2.gz PFPUJOZPYAEPMH-UHFFFAOYSA-N 1 2 299.762 1.309 20 30 CDEDLO N#CCCN1CC[NH+](Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000760944490 576527784 /nfs/dbraw/zinc/52/77/84/576527784.db2.gz QKUVQOOEKBHBAW-UHFFFAOYSA-N 1 2 296.378 1.299 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761075995 576542915 /nfs/dbraw/zinc/54/29/15/576542915.db2.gz GGTPUZUFPHJKCL-UONOGXRCSA-N 1 2 267.417 1.435 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761075995 576542916 /nfs/dbraw/zinc/54/29/16/576542916.db2.gz GGTPUZUFPHJKCL-UONOGXRCSA-N 1 2 267.417 1.435 20 30 CDEDLO C=CC[N@H+](CCC#N)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735418390 575466361 /nfs/dbraw/zinc/46/63/61/575466361.db2.gz CHIVGEHLJRKFFV-UHFFFAOYSA-N 1 2 268.324 1.768 20 30 CDEDLO C=CC[N@@H+](CCC#N)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735418390 575466365 /nfs/dbraw/zinc/46/63/65/575466365.db2.gz CHIVGEHLJRKFFV-UHFFFAOYSA-N 1 2 268.324 1.768 20 30 CDEDLO Cc1[nH+]cc(C=NN2CN=NC2=O)n1-c1ccccc1 ZINC000770621781 575475703 /nfs/dbraw/zinc/47/57/03/575475703.db2.gz KUAIRCWMTSQKFT-UHFFFAOYSA-N 1 2 268.280 1.360 20 30 CDEDLO O=c1c2ccccc2ncn1N=Cc1cccc2[nH+]ccn21 ZINC000771098597 575548633 /nfs/dbraw/zinc/54/86/33/575548633.db2.gz RRDWQBQCEOUYKP-UHFFFAOYSA-N 1 2 289.298 1.926 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)nc1 ZINC000771499666 575585491 /nfs/dbraw/zinc/58/54/91/575585491.db2.gz NAXHYLVSGDZDNK-GFCCVEGCSA-N 1 2 267.292 1.654 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)C(C)C)CC1 ZINC000772110816 575661637 /nfs/dbraw/zinc/66/16/37/575661637.db2.gz VGYWSGGSJDSCFE-UHFFFAOYSA-N 1 2 251.326 1.100 20 30 CDEDLO O=C(C=Cc1[nH]cc[nH+]1)c1cccc(-c2nn[nH]n2)c1 ZINC000737810005 576013734 /nfs/dbraw/zinc/01/37/34/576013734.db2.gz WUERQXIWNQDHMA-SNAWJCMRSA-N 1 2 266.264 1.486 20 30 CDEDLO Cn1ccc(CC/[NH+]=C/c2ccc(O)c(O)c2O)n1 ZINC000761014454 576534992 /nfs/dbraw/zinc/53/49/92/576534992.db2.gz FVZRCVWWQDRDMB-RIYZIHGNSA-N 1 2 261.281 1.199 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000761107899 576549587 /nfs/dbraw/zinc/54/95/87/576549587.db2.gz JHAXKBXNUWJBSZ-ZDUSSCGKSA-N 1 2 295.383 1.885 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000761107899 576549589 /nfs/dbraw/zinc/54/95/89/576549589.db2.gz JHAXKBXNUWJBSZ-ZDUSSCGKSA-N 1 2 295.383 1.885 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ncc(C)s1 ZINC000742119959 576581770 /nfs/dbraw/zinc/58/17/70/576581770.db2.gz PGDFVBNAESIKJT-NSHDSACASA-N 1 2 263.366 1.165 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ncc(C)s1 ZINC000742119959 576581772 /nfs/dbraw/zinc/58/17/72/576581772.db2.gz PGDFVBNAESIKJT-NSHDSACASA-N 1 2 263.366 1.165 20 30 CDEDLO Cc1n[nH]c(C)c1CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761855685 576598277 /nfs/dbraw/zinc/59/82/77/576598277.db2.gz SVSBBQVFJWMDFG-UHFFFAOYSA-N 1 2 282.311 1.448 20 30 CDEDLO Oc1ccc(F)cc1C=NNc1ccc(-n2cc[nH+]c2)nn1 ZINC000761858655 576598731 /nfs/dbraw/zinc/59/87/31/576598731.db2.gz WJMVDGOAKFKVKJ-UHFFFAOYSA-N 1 2 298.281 1.953 20 30 CDEDLO Cn1cc(N[NH+]=Cc2ccc3c(c2)CCN3C)cn1 ZINC000761880552 576603131 /nfs/dbraw/zinc/60/31/31/576603131.db2.gz FRMNHOWKBFHGTM-UHFFFAOYSA-N 1 2 255.325 1.858 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)C(F)(F)c2ccccc2)CC1 ZINC000744364465 576677110 /nfs/dbraw/zinc/67/71/10/576677110.db2.gz CNAPMMQYPLWODL-UHFFFAOYSA-N 1 2 292.329 1.946 20 30 CDEDLO CC#CCOC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000744965314 576707228 /nfs/dbraw/zinc/70/72/28/576707228.db2.gz YQRAGMHUCJSCQB-INIZCTEOSA-N 1 2 287.359 1.751 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COC/C=C\c2ccccc2)CC1 ZINC000763385148 576733854 /nfs/dbraw/zinc/73/38/54/576733854.db2.gz FPYRRGXDTMPGAR-TWGQIWQCSA-N 1 2 298.386 1.494 20 30 CDEDLO COCCO[NH+]=Cc1sc(N(C)C)nc1OC ZINC000748790013 576925375 /nfs/dbraw/zinc/92/53/75/576925375.db2.gz XIBKQHDCFQPSJX-UHFFFAOYSA-N 1 2 259.331 1.215 20 30 CDEDLO C#CCOCCC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000755438383 576944732 /nfs/dbraw/zinc/94/47/32/576944732.db2.gz KSFDELRFMVVWNY-UHFFFAOYSA-N 1 2 297.358 1.588 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)O[NH+]=C(N)COC(C)C ZINC000749791865 576962059 /nfs/dbraw/zinc/96/20/59/576962059.db2.gz LGJFBMYCFCBMTE-LBPRGKRZSA-N 1 2 283.372 1.499 20 30 CDEDLO COC(=O)c1ccc(N=NCc2c[nH+]c3ccccn23)nc1 ZINC000758119745 577072611 /nfs/dbraw/zinc/07/26/11/577072611.db2.gz ZWPSGFIZGMDFDR-UHFFFAOYSA-N 1 2 295.302 1.962 20 30 CDEDLO COc1ccc(OC)c([C@@H](O)C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000759363872 577173727 /nfs/dbraw/zinc/17/37/27/577173727.db2.gz RRVMENLQIUPAAY-FZMZJTMJSA-N 1 2 278.352 1.971 20 30 CDEDLO COc1ccc(OC)c([C@@H](O)C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000759363872 577173728 /nfs/dbraw/zinc/17/37/28/577173728.db2.gz RRVMENLQIUPAAY-FZMZJTMJSA-N 1 2 278.352 1.971 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1Cl ZINC001602690072 1175355675 /nfs/dbraw/zinc/35/56/75/1175355675.db2.gz QTEWSQAYJOOSSN-SECBINFHSA-N 1 2 275.743 1.974 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000890652609 617249830 /nfs/dbraw/zinc/24/98/30/617249830.db2.gz UKQBKHYIOBKEAY-QWHCGFSZSA-N 1 2 257.337 1.460 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC000950860058 612991439 /nfs/dbraw/zinc/99/14/39/612991439.db2.gz YMGUVTRMJQCAKK-WBVHZDCISA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cnoc2CC)CC1 ZINC000951082940 613011095 /nfs/dbraw/zinc/01/10/95/613011095.db2.gz SXZXEDQKEYHOQL-UHFFFAOYSA-N 1 2 261.325 1.018 20 30 CDEDLO C#CC[N@H+]1CCCCC[C@H]1CNC(=O)c1cnns1 ZINC000968768305 613149412 /nfs/dbraw/zinc/14/94/12/613149412.db2.gz YTXBHYHAJXCOLN-NSHDSACASA-N 1 2 278.381 1.146 20 30 CDEDLO C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cnns1 ZINC000968768305 613149414 /nfs/dbraw/zinc/14/94/14/613149414.db2.gz YTXBHYHAJXCOLN-NSHDSACASA-N 1 2 278.381 1.146 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ncc(Cl)s2)C(C)(C)C1 ZINC000974826405 613285107 /nfs/dbraw/zinc/28/51/07/613285107.db2.gz LJXBAKXAACSJTB-SECBINFHSA-N 1 2 297.811 1.870 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ncc(Cl)s2)C(C)(C)C1 ZINC000974826405 613285109 /nfs/dbraw/zinc/28/51/09/613285109.db2.gz LJXBAKXAACSJTB-SECBINFHSA-N 1 2 297.811 1.870 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCO[C@@H]2C)C1 ZINC000957043653 613294374 /nfs/dbraw/zinc/29/43/74/613294374.db2.gz FJJURSRCFFFQPU-TZMCWYRMSA-N 1 2 266.385 1.520 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2ccc(F)s2)C(C)(C)C1 ZINC000977637059 613299968 /nfs/dbraw/zinc/29/99/68/613299968.db2.gz BNQUKPZFYRXFIL-NSHDSACASA-N 1 2 280.368 1.961 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2ccc(F)s2)C(C)(C)C1 ZINC000977637059 613299970 /nfs/dbraw/zinc/29/99/70/613299970.db2.gz BNQUKPZFYRXFIL-NSHDSACASA-N 1 2 280.368 1.961 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)C(C)(C)C(F)F)CC1 ZINC000950377357 613315526 /nfs/dbraw/zinc/31/55/26/613315526.db2.gz AOCHLUIEYWTHGP-UHFFFAOYSA-N 1 2 260.328 1.998 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@]2(C)CCO[C@@H]2C)CC1 ZINC000949447434 613318661 /nfs/dbraw/zinc/31/86/61/613318661.db2.gz KWYUMKGKQNOXNN-HIFRSBDPSA-N 1 2 266.385 1.522 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccnn2CC(C)C)CC1 ZINC000948587680 613321254 /nfs/dbraw/zinc/32/12/54/613321254.db2.gz PDVWMSPKRCUJDK-UHFFFAOYSA-N 1 2 290.411 1.873 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2[nH]cnc2C)C1 ZINC000970981266 613371780 /nfs/dbraw/zinc/37/17/80/613371780.db2.gz KSJVQWPFKCFAQE-SECBINFHSA-N 1 2 282.775 1.521 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnnc(C)c2)C1 ZINC000969560756 613371939 /nfs/dbraw/zinc/37/19/39/613371939.db2.gz IGCSFZMIVWLNNS-LLVKDONJSA-N 1 2 294.786 1.588 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cn(C)nc2C)C1 ZINC000969394954 613372376 /nfs/dbraw/zinc/37/23/76/613372376.db2.gz DORFICANJOAUMH-JTQLQIEISA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC000965320199 613375595 /nfs/dbraw/zinc/37/55/95/613375595.db2.gz CBOOOVGOKCGCSB-SKDRFNHKSA-N 1 2 282.775 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC000965320199 613375596 /nfs/dbraw/zinc/37/55/96/613375596.db2.gz CBOOOVGOKCGCSB-SKDRFNHKSA-N 1 2 282.775 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@]23C[C@H]2COC3)C(C)(C)C1 ZINC000974615329 613379808 /nfs/dbraw/zinc/37/98/08/613379808.db2.gz GUGQDRASRINAJE-ZOWXZIJZSA-N 1 2 298.814 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@]23C[C@H]2COC3)C(C)(C)C1 ZINC000974615329 613379809 /nfs/dbraw/zinc/37/98/09/613379809.db2.gz GUGQDRASRINAJE-ZOWXZIJZSA-N 1 2 298.814 1.602 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCc2csc(C)n2)CC1 ZINC000951180872 613562066 /nfs/dbraw/zinc/56/20/66/613562066.db2.gz YSPOEJAGWFUPSX-UHFFFAOYSA-N 1 2 291.420 1.552 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC3(C)C)C2)C1 ZINC000972349233 613570268 /nfs/dbraw/zinc/57/02/68/613570268.db2.gz WQIGEWRGOULKJO-YOEHRIQHSA-N 1 2 290.407 1.359 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC3(C)C)C2)C1 ZINC000972349233 613570271 /nfs/dbraw/zinc/57/02/71/613570271.db2.gz WQIGEWRGOULKJO-YOEHRIQHSA-N 1 2 290.407 1.359 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnns2)C1 ZINC000965290409 613573313 /nfs/dbraw/zinc/57/33/13/613573313.db2.gz IOIHNDRYRVAWBM-MNOVXSKESA-N 1 2 278.381 1.002 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnns2)C1 ZINC000965290409 613573314 /nfs/dbraw/zinc/57/33/14/613573314.db2.gz IOIHNDRYRVAWBM-MNOVXSKESA-N 1 2 278.381 1.002 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)C2=CCOCC2)C1 ZINC000949952567 613653006 /nfs/dbraw/zinc/65/30/06/613653006.db2.gz SAXWSXOZWQTGJD-UHFFFAOYSA-N 1 2 250.342 1.052 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2COc3ccccc32)C1 ZINC000957456160 613654390 /nfs/dbraw/zinc/65/43/90/613654390.db2.gz UELPPXVPBUQYQQ-OAHLLOKOSA-N 1 2 286.375 1.881 20 30 CDEDLO C=CCN1CC(N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000950658114 613655858 /nfs/dbraw/zinc/65/58/58/613655858.db2.gz AYPRQVURIUZKGC-ZDUSSCGKSA-N 1 2 288.395 1.164 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H](C)c2cccnc2)CC1 ZINC000951180628 613708791 /nfs/dbraw/zinc/70/87/91/613708791.db2.gz QLNCSDBZSZKYAB-CQSZACIVSA-N 1 2 273.380 1.905 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc3c(c2)CCO3)CC1 ZINC000949557852 613709243 /nfs/dbraw/zinc/70/92/43/613709243.db2.gz IRTFJXNYHRCEMN-UHFFFAOYSA-N 1 2 286.375 1.494 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)Cc2c(C)noc2C)CC1 ZINC000951385083 613712063 /nfs/dbraw/zinc/71/20/63/613712063.db2.gz PTONPPORKWGQHC-GFCCVEGCSA-N 1 2 291.395 1.800 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c(C)nn(CC)c2C)CC1 ZINC000951781181 613713958 /nfs/dbraw/zinc/71/39/58/613713958.db2.gz MPLGYWSXNWTXQE-UHFFFAOYSA-N 1 2 276.384 1.464 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cncc(Cl)c2)CC1 ZINC000951742810 613717891 /nfs/dbraw/zinc/71/78/91/613717891.db2.gz POYMYELWNQFHBU-UHFFFAOYSA-N 1 2 265.744 1.679 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ccco3)C2)C1 ZINC000972609690 613725576 /nfs/dbraw/zinc/72/55/76/613725576.db2.gz VPXHISGDPLIEGB-MRXNPFEDSA-N 1 2 290.363 1.311 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ccco3)C2)C1 ZINC000972609690 613725578 /nfs/dbraw/zinc/72/55/78/613725578.db2.gz VPXHISGDPLIEGB-MRXNPFEDSA-N 1 2 290.363 1.311 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)SC)C2)C1 ZINC000972269123 613726220 /nfs/dbraw/zinc/72/62/20/613726220.db2.gz IUEDYCUVWZXKCG-TZMCWYRMSA-N 1 2 284.425 1.227 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)SC)C2)C1 ZINC000972269123 613726221 /nfs/dbraw/zinc/72/62/21/613726221.db2.gz IUEDYCUVWZXKCG-TZMCWYRMSA-N 1 2 284.425 1.227 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](F)CC)C2)C1 ZINC000972501520 613726385 /nfs/dbraw/zinc/72/63/85/613726385.db2.gz FCSWNTVWEUIVIP-TZMCWYRMSA-N 1 2 270.348 1.224 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](F)CC)C2)C1 ZINC000972501520 613726389 /nfs/dbraw/zinc/72/63/89/613726389.db2.gz FCSWNTVWEUIVIP-TZMCWYRMSA-N 1 2 270.348 1.224 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)CC)C2)C1 ZINC000972269420 613726859 /nfs/dbraw/zinc/72/68/59/613726859.db2.gz NCRUQLMGNLXOAI-DZGCQCFKSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)CC)C2)C1 ZINC000972269420 613726860 /nfs/dbraw/zinc/72/68/60/613726860.db2.gz NCRUQLMGNLXOAI-DZGCQCFKSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3nccs3)C2)C1 ZINC000972610044 613727371 /nfs/dbraw/zinc/72/73/71/613727371.db2.gz ZUKUVPZRQPRSGR-CQSZACIVSA-N 1 2 293.392 1.246 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3nccs3)C2)C1 ZINC000972610044 613727373 /nfs/dbraw/zinc/72/73/73/613727373.db2.gz ZUKUVPZRQPRSGR-CQSZACIVSA-N 1 2 293.392 1.246 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc3[nH]nnc3c2)C(C)(C)C1 ZINC000977570764 613810786 /nfs/dbraw/zinc/81/07/86/613810786.db2.gz LHWNCKUMXJFPPK-CQSZACIVSA-N 1 2 299.378 1.584 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc3[nH]nnc3c2)C(C)(C)C1 ZINC000977570764 613810787 /nfs/dbraw/zinc/81/07/87/613810787.db2.gz LHWNCKUMXJFPPK-CQSZACIVSA-N 1 2 299.378 1.584 20 30 CDEDLO CC(C)c1cnc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C)C#N)C2)o1 ZINC000967711995 614315948 /nfs/dbraw/zinc/31/59/48/614315948.db2.gz ABDGCEKOOVTKSM-VXGBXAGGSA-N 1 2 290.367 1.648 20 30 CDEDLO CC[N@H+](CCC#N)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891577317 617486750 /nfs/dbraw/zinc/48/67/50/617486750.db2.gz BOCWSEWIZVDKGQ-RYUDHWBXSA-N 1 2 256.321 1.856 20 30 CDEDLO CC[N@@H+](CCC#N)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891577317 617486752 /nfs/dbraw/zinc/48/67/52/617486752.db2.gz BOCWSEWIZVDKGQ-RYUDHWBXSA-N 1 2 256.321 1.856 20 30 CDEDLO C[C@H]1CN(c2cc(C#N)sc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000893277479 617512003 /nfs/dbraw/zinc/51/20/03/617512003.db2.gz QZKFLBQDTIYFFQ-VIFPVBQESA-N 1 2 296.352 1.031 20 30 CDEDLO C[C@H]1CN(c2cc(C#N)sc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000893277479 617512005 /nfs/dbraw/zinc/51/20/05/617512005.db2.gz QZKFLBQDTIYFFQ-VIFPVBQESA-N 1 2 296.352 1.031 20 30 CDEDLO CCNC(=O)C[NH+]1CCN(c2ccc(C#N)cc2C)CC1 ZINC000891701325 617545900 /nfs/dbraw/zinc/54/59/00/617545900.db2.gz FRZZZTMJJVHPJO-UHFFFAOYSA-N 1 2 286.379 1.125 20 30 CDEDLO C=CCCN(C)c1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000893409083 617848435 /nfs/dbraw/zinc/84/84/35/617848435.db2.gz NRQLLHFZADYEIT-LLVKDONJSA-N 1 2 250.346 1.672 20 30 CDEDLO C=CCCN(C)c1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000893409083 617848439 /nfs/dbraw/zinc/84/84/39/617848439.db2.gz NRQLLHFZADYEIT-LLVKDONJSA-N 1 2 250.346 1.672 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2csc(C#N)c2)[C@H](C(N)=O)C1 ZINC000893715125 617951447 /nfs/dbraw/zinc/95/14/47/617951447.db2.gz CHLHYNSAWUHUTL-CABZTGNLSA-N 1 2 263.366 1.706 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2csc(C#N)c2)[C@H](C(N)=O)C1 ZINC000893715125 617951466 /nfs/dbraw/zinc/95/14/66/617951466.db2.gz CHLHYNSAWUHUTL-CABZTGNLSA-N 1 2 263.366 1.706 20 30 CDEDLO C#CC[C@@H]1CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000888173439 620809774 /nfs/dbraw/zinc/80/97/74/620809774.db2.gz KMWDRFQFYVPJDY-SOUVJXGZSA-N 1 2 293.411 1.150 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2cc(F)cc(F)c2O)CCCN1O ZINC000895156954 619372148 /nfs/dbraw/zinc/37/21/48/619372148.db2.gz JFPMBFRVIAAKPF-SNVBAGLBSA-N 1 2 272.251 1.140 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896557802 620146523 /nfs/dbraw/zinc/14/65/23/620146523.db2.gz VZSAEFGCBHVYSB-DZGCQCFKSA-N 1 2 279.428 1.505 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000896557802 620146525 /nfs/dbraw/zinc/14/65/25/620146525.db2.gz VZSAEFGCBHVYSB-DZGCQCFKSA-N 1 2 279.428 1.505 20 30 CDEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H]2CC[C@H](C#N)C2)[nH]n1 ZINC000898012001 621262497 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C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(Br)c[nH]1 ZINC001038491122 773770277 /nfs/dbraw/zinc/77/02/77/773770277.db2.gz GEOQDNXLRXHCQF-JTQLQIEISA-N 1 2 296.168 1.215 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(Br)c[nH]1 ZINC001038491122 773770286 /nfs/dbraw/zinc/77/02/86/773770286.db2.gz GEOQDNXLRXHCQF-JTQLQIEISA-N 1 2 296.168 1.215 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ncccn1 ZINC001049384936 773783811 /nfs/dbraw/zinc/78/38/11/773783811.db2.gz YQLSJQQUTBBBOX-RDBSUJKOSA-N 1 2 299.378 1.202 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ncccn1 ZINC001049384936 773783821 /nfs/dbraw/zinc/78/38/21/773783821.db2.gz YQLSJQQUTBBBOX-RDBSUJKOSA-N 1 2 299.378 1.202 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2coc3ccccc23)C1 ZINC001031479091 773861667 /nfs/dbraw/zinc/86/16/67/773861667.db2.gz IXWKCGYOCVUJDY-UHFFFAOYSA-N 1 2 268.316 1.870 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(F)ccc1OC ZINC001038562086 773885435 /nfs/dbraw/zinc/88/54/35/773885435.db2.gz BVQHMGHLZOWAGI-LBPRGKRZSA-N 1 2 276.311 1.272 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)ccc1OC ZINC001038562086 773885437 /nfs/dbraw/zinc/88/54/37/773885437.db2.gz BVQHMGHLZOWAGI-LBPRGKRZSA-N 1 2 276.311 1.272 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(O)ccc1C ZINC000862963307 773894372 /nfs/dbraw/zinc/89/43/72/773894372.db2.gz GVSNFVXDUJRODB-AWEZNQCLSA-N 1 2 258.321 1.737 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(O)ccc1C ZINC000862963307 773894373 /nfs/dbraw/zinc/89/43/73/773894373.db2.gz GVSNFVXDUJRODB-AWEZNQCLSA-N 1 2 258.321 1.737 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c[nH]nc2C2CC2)C1 ZINC001044131495 773948212 /nfs/dbraw/zinc/94/82/12/773948212.db2.gz OADIUZMJWHZHKM-UHFFFAOYSA-N 1 2 272.352 1.067 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccnn2C2CCC2)C1 ZINC001042735948 773957436 /nfs/dbraw/zinc/95/74/36/773957436.db2.gz SQPPSVWZDQJFSW-UHFFFAOYSA-N 1 2 288.395 1.940 20 30 CDEDLO C=C[C@H](O)C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000854412145 774065445 /nfs/dbraw/zinc/06/54/45/774065445.db2.gz JDBPHBMOZJXNFB-ZDUSSCGKSA-N 1 2 295.408 1.154 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccnc2)C1 ZINC001032865287 774086395 /nfs/dbraw/zinc/08/63/95/774086395.db2.gz SNBNDXZXEALZLK-ZDUSSCGKSA-N 1 2 279.771 1.980 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccnc2)C1 ZINC001032865287 774086400 /nfs/dbraw/zinc/08/64/00/774086400.db2.gz SNBNDXZXEALZLK-ZDUSSCGKSA-N 1 2 279.771 1.980 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCCO[C@@H](C)C#N)cc1 ZINC000802728932 774137517 /nfs/dbraw/zinc/13/75/17/774137517.db2.gz LZCJFZQPGBKYPN-JTQLQIEISA-N 1 2 263.297 1.261 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cccnn2)C1 ZINC001034456308 774145848 /nfs/dbraw/zinc/14/58/48/774145848.db2.gz SXZOJIGLVPXHNA-GFCCVEGCSA-N 1 2 294.786 1.813 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cccnn2)C1 ZINC001034456308 774145857 /nfs/dbraw/zinc/14/58/57/774145857.db2.gz SXZOJIGLVPXHNA-GFCCVEGCSA-N 1 2 294.786 1.813 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cccnc3)cc2C1 ZINC001054250733 774149900 /nfs/dbraw/zinc/14/99/00/774149900.db2.gz ASVKBWDQNJWYMC-UHFFFAOYSA-N 1 2 291.354 1.960 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cccnc3)cc2C1 ZINC001054250733 774149910 /nfs/dbraw/zinc/14/99/10/774149910.db2.gz ASVKBWDQNJWYMC-UHFFFAOYSA-N 1 2 291.354 1.960 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001034197407 774201061 /nfs/dbraw/zinc/20/10/61/774201061.db2.gz SQEZQHGNPLLDAP-NSHDSACASA-N 1 2 297.790 1.152 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001034197407 774201085 /nfs/dbraw/zinc/20/10/85/774201085.db2.gz SQEZQHGNPLLDAP-NSHDSACASA-N 1 2 297.790 1.152 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001050981261 774220869 /nfs/dbraw/zinc/22/08/69/774220869.db2.gz FLXVHMMRTJJCRT-AWEZNQCLSA-N 1 2 291.395 1.638 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001050981261 774220849 /nfs/dbraw/zinc/22/08/49/774220849.db2.gz FLXVHMMRTJJCRT-AWEZNQCLSA-N 1 2 291.395 1.638 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cncc(Cl)c2)C1 ZINC001035548364 774240663 /nfs/dbraw/zinc/24/06/63/774240663.db2.gz AWILVNFHODYIRU-ZDUSSCGKSA-N 1 2 295.770 1.352 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cncc(Cl)c2)C1 ZINC001035548364 774240688 /nfs/dbraw/zinc/24/06/88/774240688.db2.gz AWILVNFHODYIRU-ZDUSSCGKSA-N 1 2 295.770 1.352 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccns2)[C@H]1C ZINC000993375002 774277437 /nfs/dbraw/zinc/27/74/37/774277437.db2.gz GUUATHBFLXNFAY-GHMZBOCLSA-N 1 2 263.366 1.359 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccns2)[C@H]1C ZINC000993375002 774277466 /nfs/dbraw/zinc/27/74/66/774277466.db2.gz GUUATHBFLXNFAY-GHMZBOCLSA-N 1 2 263.366 1.359 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2n1CCCCC2 ZINC001038408849 774315982 /nfs/dbraw/zinc/31/59/82/774315982.db2.gz JGDZXURXWQQCHA-ZDUSSCGKSA-N 1 2 286.379 1.047 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2n1CCCCC2 ZINC001038408849 774315989 /nfs/dbraw/zinc/31/59/89/774315989.db2.gz JGDZXURXWQQCHA-ZDUSSCGKSA-N 1 2 286.379 1.047 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)C2CCCCC2)C1 ZINC000885511888 774348032 /nfs/dbraw/zinc/34/80/32/774348032.db2.gz NWOIGYXHSVBMHX-CYBMUJFWSA-N 1 2 284.425 1.336 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)C2CCCCC2)C1 ZINC000885511888 774348023 /nfs/dbraw/zinc/34/80/23/774348023.db2.gz NWOIGYXHSVBMHX-CYBMUJFWSA-N 1 2 284.425 1.336 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](CC)CC1 ZINC000884145046 774361234 /nfs/dbraw/zinc/36/12/34/774361234.db2.gz APYOAMZUETZNQU-OLZOCXBDSA-N 1 2 282.384 1.472 20 30 CDEDLO N#CC[C@@H](O)C[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000809579189 774418830 /nfs/dbraw/zinc/41/88/30/774418830.db2.gz WMXVCRPKDOTUDI-HZPDHXFCSA-N 1 2 274.364 1.595 20 30 CDEDLO N#CC[C@@H](O)C[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000809579189 774418844 /nfs/dbraw/zinc/41/88/44/774418844.db2.gz WMXVCRPKDOTUDI-HZPDHXFCSA-N 1 2 274.364 1.595 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccnnc2C)C1 ZINC001046453293 774468040 /nfs/dbraw/zinc/46/80/40/774468040.db2.gz GQZKPSUKTPFGCK-AWEZNQCLSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccnnc2C)C1 ZINC001046453293 774468053 /nfs/dbraw/zinc/46/80/53/774468053.db2.gz GQZKPSUKTPFGCK-AWEZNQCLSA-N 1 2 294.786 1.732 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000798396675 774499533 /nfs/dbraw/zinc/49/95/33/774499533.db2.gz CYIYHVDETLLRFO-OLZOCXBDSA-N 1 2 269.389 1.361 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000798396675 774499537 /nfs/dbraw/zinc/49/95/37/774499537.db2.gz CYIYHVDETLLRFO-OLZOCXBDSA-N 1 2 269.389 1.361 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCOCC2)C1 ZINC001010804479 774513822 /nfs/dbraw/zinc/51/38/22/774513822.db2.gz CNTGGPBLRQSSJE-STQMWFEESA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCOCC2)C1 ZINC001010804479 774513831 /nfs/dbraw/zinc/51/38/31/774513831.db2.gz CNTGGPBLRQSSJE-STQMWFEESA-N 1 2 286.803 1.746 20 30 CDEDLO C#C[C@@](C)(CC)[NH2+]Cc1nnnn1CC(F)(F)F ZINC000852103603 774591570 /nfs/dbraw/zinc/59/15/70/774591570.db2.gz LVZIXXQWTLBSLL-VIFPVBQESA-N 1 2 261.251 1.127 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cccc(F)n2)C1=O ZINC000852007722 774658638 /nfs/dbraw/zinc/65/86/38/774658638.db2.gz QZSVDWXCDHJYNR-LBPRGKRZSA-N 1 2 263.316 1.439 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cccc(F)n2)C1=O ZINC000852007722 774658646 /nfs/dbraw/zinc/65/86/46/774658646.db2.gz QZSVDWXCDHJYNR-LBPRGKRZSA-N 1 2 263.316 1.439 20 30 CDEDLO C#CCC[NH+]1CCC(NC(=O)C(F)C(F)(F)F)CC1 ZINC000810429102 774689691 /nfs/dbraw/zinc/68/96/91/774689691.db2.gz XLVHPSQBCXODNS-SNVBAGLBSA-N 1 2 280.265 1.491 20 30 CDEDLO C#CCC[NH+]1CCC(NC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000810429102 774689705 /nfs/dbraw/zinc/68/97/05/774689705.db2.gz XLVHPSQBCXODNS-SNVBAGLBSA-N 1 2 280.265 1.491 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CNC(=O)C1CC1 ZINC001037979737 774723114 /nfs/dbraw/zinc/72/31/14/774723114.db2.gz FOBFAKLRMAKVRV-HNNXBMFYSA-N 1 2 299.374 1.667 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CNC(=O)C1CC1 ZINC001037979737 774723131 /nfs/dbraw/zinc/72/31/31/774723131.db2.gz FOBFAKLRMAKVRV-HNNXBMFYSA-N 1 2 299.374 1.667 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1cnccn1 ZINC001029245105 774746203 /nfs/dbraw/zinc/74/62/03/774746203.db2.gz PMDKBPRJHXMITO-RQJABVFESA-N 1 2 299.378 1.372 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1cnccn1 ZINC001029245105 774746209 /nfs/dbraw/zinc/74/62/09/774746209.db2.gz PMDKBPRJHXMITO-RQJABVFESA-N 1 2 299.378 1.372 20 30 CDEDLO N#CCc1cccc(NC(=O)/C=C\C[NH+]2CCOCC2)c1 ZINC000868785395 774758884 /nfs/dbraw/zinc/75/88/84/774758884.db2.gz PDZUYIQLLIMFDS-DJWKRKHSSA-N 1 2 285.347 1.580 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc(=O)[nH]1 ZINC001017820456 774808777 /nfs/dbraw/zinc/80/87/77/774808777.db2.gz BGXASUNMJILIHG-PHIMTYICSA-N 1 2 291.376 1.161 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc(=O)[nH]1 ZINC001017820456 774808779 /nfs/dbraw/zinc/80/87/79/774808779.db2.gz BGXASUNMJILIHG-PHIMTYICSA-N 1 2 291.376 1.161 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C2=CCCC2)C1 ZINC001035334496 774810015 /nfs/dbraw/zinc/81/00/15/774810015.db2.gz KNEBNCASFLLAAG-CQSZACIVSA-N 1 2 264.369 1.490 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C2=CCCC2)C1 ZINC001035334496 774810016 /nfs/dbraw/zinc/81/00/16/774810016.db2.gz KNEBNCASFLLAAG-CQSZACIVSA-N 1 2 264.369 1.490 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc2c1CCO2 ZINC000794142609 774841776 /nfs/dbraw/zinc/84/17/76/774841776.db2.gz IAMBGOCWOCVRJM-AWEZNQCLSA-N 1 2 270.332 1.658 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc2c1CCO2 ZINC000794142609 774841777 /nfs/dbraw/zinc/84/17/77/774841777.db2.gz IAMBGOCWOCVRJM-AWEZNQCLSA-N 1 2 270.332 1.658 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccnn2C2CCCC2)C1 ZINC001030383002 774865702 /nfs/dbraw/zinc/86/57/02/774865702.db2.gz LHWKOORJJZBHMS-UHFFFAOYSA-N 1 2 288.395 1.988 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2cc(CCC)[nH]n2)C1 ZINC001033916581 774867324 /nfs/dbraw/zinc/86/73/24/774867324.db2.gz OFZSPLQGZYGSJO-AWEZNQCLSA-N 1 2 288.395 1.532 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(CCC)[nH]n2)C1 ZINC001033916581 774867325 /nfs/dbraw/zinc/86/73/25/774867325.db2.gz OFZSPLQGZYGSJO-AWEZNQCLSA-N 1 2 288.395 1.532 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCO[C@H]2C)C1 ZINC001042656232 774877689 /nfs/dbraw/zinc/87/76/89/774877689.db2.gz ZOAFLVYZSQOXTJ-JSGCOSHPSA-N 1 2 266.385 1.520 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC000923566505 774882778 /nfs/dbraw/zinc/88/27/78/774882778.db2.gz LYCULMVZOLJSFR-ZDUSSCGKSA-N 1 2 288.395 1.669 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC000923566505 774882779 /nfs/dbraw/zinc/88/27/79/774882779.db2.gz LYCULMVZOLJSFR-ZDUSSCGKSA-N 1 2 288.395 1.669 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2ccccc2F)CC1 ZINC000700579788 774887544 /nfs/dbraw/zinc/88/75/44/774887544.db2.gz JOKNQPSJLFOMNX-BQYQJAHWSA-N 1 2 272.323 1.616 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(CC#N)n1 ZINC000882471281 774897510 /nfs/dbraw/zinc/89/75/10/774897510.db2.gz NOGCFIBFFTXNOY-SNVBAGLBSA-N 1 2 269.308 1.688 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(CC#N)n1 ZINC000882471281 774897511 /nfs/dbraw/zinc/89/75/11/774897511.db2.gz NOGCFIBFFTXNOY-SNVBAGLBSA-N 1 2 269.308 1.688 20 30 CDEDLO C#CC[N@H+]1CC[C@](C)(NC(=O)c2cccc3nc[nH]c32)C1 ZINC001046725399 774909657 /nfs/dbraw/zinc/90/96/57/774909657.db2.gz WYKGCNAHHYFCDJ-INIZCTEOSA-N 1 2 282.347 1.390 20 30 CDEDLO C#CC[N@@H+]1CC[C@](C)(NC(=O)c2cccc3nc[nH]c32)C1 ZINC001046725399 774909671 /nfs/dbraw/zinc/90/96/71/774909671.db2.gz WYKGCNAHHYFCDJ-INIZCTEOSA-N 1 2 282.347 1.390 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(C)cc1 ZINC000884049506 774916615 /nfs/dbraw/zinc/91/66/15/774916615.db2.gz UFOXYJQKRCXHRQ-ZDUSSCGKSA-N 1 2 276.336 1.058 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)SC)C2)C1 ZINC000972341065 774936501 /nfs/dbraw/zinc/93/65/01/774936501.db2.gz AKVVXPNGKCZAOU-HIFRSBDPSA-N 1 2 296.436 1.065 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)SC)C2)C1 ZINC000972341065 774936531 /nfs/dbraw/zinc/93/65/31/774936531.db2.gz AKVVXPNGKCZAOU-HIFRSBDPSA-N 1 2 296.436 1.065 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1nn(C)c2ccccc21 ZINC001038942094 774948186 /nfs/dbraw/zinc/94/81/86/774948186.db2.gz QQLDTJSBBFCMRC-LBPRGKRZSA-N 1 2 282.347 1.011 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1nn(C)c2ccccc21 ZINC001038942094 774948209 /nfs/dbraw/zinc/94/82/09/774948209.db2.gz QQLDTJSBBFCMRC-LBPRGKRZSA-N 1 2 282.347 1.011 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3=CCCC3)C[C@H]21 ZINC001074211869 774998291 /nfs/dbraw/zinc/99/82/91/774998291.db2.gz GEYGBLNLTRDQLY-HZPDHXFCSA-N 1 2 290.407 1.975 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3=CCCC3)C[C@H]21 ZINC001074211869 774998312 /nfs/dbraw/zinc/99/83/12/774998312.db2.gz GEYGBLNLTRDQLY-HZPDHXFCSA-N 1 2 290.407 1.975 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CCC(OC)CC1 ZINC001032819244 775086519 /nfs/dbraw/zinc/08/65/19/775086519.db2.gz PUSMCMQREPRLAF-PYBGIAKNSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CCC(OC)CC1 ZINC001032819244 775086524 /nfs/dbraw/zinc/08/65/24/775086524.db2.gz PUSMCMQREPRLAF-PYBGIAKNSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)OC ZINC001017406950 775154353 /nfs/dbraw/zinc/15/43/53/775154353.db2.gz YIBXHXFFRYDFGP-HZSPNIEDSA-N 1 2 264.369 1.110 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)OC ZINC001017406950 775154366 /nfs/dbraw/zinc/15/43/66/775154366.db2.gz YIBXHXFFRYDFGP-HZSPNIEDSA-N 1 2 264.369 1.110 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ocnc1C(F)F ZINC001038704197 775332909 /nfs/dbraw/zinc/33/29/09/775332909.db2.gz MKLUYAPGAFGWNW-MRVPVSSYSA-N 1 2 271.267 1.602 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ocnc1C(F)F ZINC001038704197 775332928 /nfs/dbraw/zinc/33/29/28/775332928.db2.gz MKLUYAPGAFGWNW-MRVPVSSYSA-N 1 2 271.267 1.602 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cn2ccc(C(F)F)n2)C1 ZINC001030416449 775348900 /nfs/dbraw/zinc/34/89/00/775348900.db2.gz KFJUBMWTBLABOW-UHFFFAOYSA-N 1 2 284.310 1.197 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1Cc2ccccc21 ZINC001032597523 775452180 /nfs/dbraw/zinc/45/21/80/775452180.db2.gz SSEQXARYNAFVHC-DZKIICNBSA-N 1 2 266.344 1.245 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1Cc2ccccc21 ZINC001032597523 775452185 /nfs/dbraw/zinc/45/21/85/775452185.db2.gz SSEQXARYNAFVHC-DZKIICNBSA-N 1 2 266.344 1.245 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C(C)C)nc2)C1 ZINC001030439843 775498406 /nfs/dbraw/zinc/49/84/06/775498406.db2.gz BOUOJLYWCDELEV-UHFFFAOYSA-N 1 2 271.364 1.642 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC001044061496 775524544 /nfs/dbraw/zinc/52/45/44/775524544.db2.gz UZZOELFVPVUWKH-JTQLQIEISA-N 1 2 276.384 1.459 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)ccc1F ZINC001032447640 775609725 /nfs/dbraw/zinc/60/97/25/775609725.db2.gz RGGXQNMJSMIMNN-STQMWFEESA-N 1 2 290.313 1.887 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)ccc1F ZINC001032447640 775609734 /nfs/dbraw/zinc/60/97/34/775609734.db2.gz RGGXQNMJSMIMNN-STQMWFEESA-N 1 2 290.313 1.887 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ncsc1C1CC1 ZINC001038707112 775700292 /nfs/dbraw/zinc/70/02/92/775700292.db2.gz VVYABTZHTIYQKF-NSHDSACASA-N 1 2 275.377 1.458 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncsc1C1CC1 ZINC001038707112 775700311 /nfs/dbraw/zinc/70/03/11/775700311.db2.gz VVYABTZHTIYQKF-NSHDSACASA-N 1 2 275.377 1.458 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC001031022278 775709246 /nfs/dbraw/zinc/70/92/46/775709246.db2.gz ZZOOAFPOJDRUTA-UHFFFAOYSA-N 1 2 286.335 1.259 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2n[nH]cc2c1 ZINC001038650760 775775158 /nfs/dbraw/zinc/77/51/58/775775158.db2.gz JZMQJMSFANFFQZ-CQSZACIVSA-N 1 2 282.347 1.390 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2n[nH]cc2c1 ZINC001038650760 775775173 /nfs/dbraw/zinc/77/51/73/775775173.db2.gz JZMQJMSFANFFQZ-CQSZACIVSA-N 1 2 282.347 1.390 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC1(C)C ZINC001017487894 775789223 /nfs/dbraw/zinc/78/92/23/775789223.db2.gz MZHPLLXAKMNRQN-HZSPNIEDSA-N 1 2 260.381 1.731 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC1(C)C ZINC001017487894 775789237 /nfs/dbraw/zinc/78/92/37/775789237.db2.gz MZHPLLXAKMNRQN-HZSPNIEDSA-N 1 2 260.381 1.731 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@]23CCOC3)CC1 ZINC000989435554 775820092 /nfs/dbraw/zinc/82/00/92/775820092.db2.gz HLHKNHMRUSSSOV-DZGCQCFKSA-N 1 2 298.814 1.700 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@]23CCOC3)CC1 ZINC000989435554 775820093 /nfs/dbraw/zinc/82/00/93/775820093.db2.gz HLHKNHMRUSSSOV-DZGCQCFKSA-N 1 2 298.814 1.700 20 30 CDEDLO C=CCCC(=O)N[C@@H](C)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001076321939 775822326 /nfs/dbraw/zinc/82/23/26/775822326.db2.gz WPNYKVNABUBJGL-LBPRGKRZSA-N 1 2 292.383 1.320 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001032669688 775835039 /nfs/dbraw/zinc/83/50/39/775835039.db2.gz WEPIRKSVLVLTFK-NXOAAHMSSA-N 1 2 280.371 1.708 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001032669688 775835043 /nfs/dbraw/zinc/83/50/43/775835043.db2.gz WEPIRKSVLVLTFK-NXOAAHMSSA-N 1 2 280.371 1.708 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(Cl)n[nH]c1CC ZINC001032440806 775923415 /nfs/dbraw/zinc/92/34/15/775923415.db2.gz VUHJXLIOZBBTIS-UWVGGRQHSA-N 1 2 292.770 1.157 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(Cl)n[nH]c1CC ZINC001032440806 775923427 /nfs/dbraw/zinc/92/34/27/775923427.db2.gz VUHJXLIOZBBTIS-UWVGGRQHSA-N 1 2 292.770 1.157 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)nn2)C1 ZINC001033083679 775931607 /nfs/dbraw/zinc/93/16/07/775931607.db2.gz WUKCFGFNOIRRGE-GFCCVEGCSA-N 1 2 294.786 1.684 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)nn2)C1 ZINC001033083679 775931617 /nfs/dbraw/zinc/93/16/17/775931617.db2.gz WUKCFGFNOIRRGE-GFCCVEGCSA-N 1 2 294.786 1.684 20 30 CDEDLO Cc1nc(N[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001057594757 775952744 /nfs/dbraw/zinc/95/27/44/775952744.db2.gz VYKDLCLOVUTVOB-JQWIXIFHSA-N 1 2 273.340 1.348 20 30 CDEDLO N#CCCCNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000784253113 775960517 /nfs/dbraw/zinc/96/05/17/775960517.db2.gz DDONMRUWUUWGAQ-UHFFFAOYSA-N 1 2 283.335 1.975 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccncc1F ZINC001050856808 776058509 /nfs/dbraw/zinc/05/85/09/776058509.db2.gz RGBJJOHWDGWCKR-LBPRGKRZSA-N 1 2 293.342 1.227 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccncc1F ZINC001050856808 776058511 /nfs/dbraw/zinc/05/85/11/776058511.db2.gz RGBJJOHWDGWCKR-LBPRGKRZSA-N 1 2 293.342 1.227 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(F)c(C)c2)C1 ZINC001043716066 776062633 /nfs/dbraw/zinc/06/26/33/776062633.db2.gz HTYBZKJYGZLSMY-UHFFFAOYSA-N 1 2 274.339 1.914 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2snnc2C)[C@H]1C ZINC000993053290 776126343 /nfs/dbraw/zinc/12/63/43/776126343.db2.gz VPZXLMYXYDUFER-MNOVXSKESA-N 1 2 278.381 1.062 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2snnc2C)[C@H]1C ZINC000993053290 776126409 /nfs/dbraw/zinc/12/64/09/776126409.db2.gz VPZXLMYXYDUFER-MNOVXSKESA-N 1 2 278.381 1.062 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cn3ccccc3n2)C1 ZINC001044260622 776178124 /nfs/dbraw/zinc/17/81/24/776178124.db2.gz YSEFICADWQGRBX-UHFFFAOYSA-N 1 2 284.363 1.667 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)no1 ZINC001017494736 776205181 /nfs/dbraw/zinc/20/51/81/776205181.db2.gz SXHSJFUVEJENNH-PHIMTYICSA-N 1 2 277.324 1.158 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)no1 ZINC001017494736 776205184 /nfs/dbraw/zinc/20/51/84/776205184.db2.gz SXHSJFUVEJENNH-PHIMTYICSA-N 1 2 277.324 1.158 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)n1c(C)ccc1C ZINC001032801477 776213135 /nfs/dbraw/zinc/21/31/35/776213135.db2.gz YERVFBJUNOQJDK-JYJNAYRXSA-N 1 2 285.391 1.584 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)n1c(C)ccc1C ZINC001032801477 776213145 /nfs/dbraw/zinc/21/31/45/776213145.db2.gz YERVFBJUNOQJDK-JYJNAYRXSA-N 1 2 285.391 1.584 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1nc(Cl)cs1 ZINC001038633540 776247660 /nfs/dbraw/zinc/24/76/60/776247660.db2.gz XHJFPOCGQUMXOK-QMMMGPOBSA-N 1 2 271.773 1.787 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1nc(Cl)cs1 ZINC001038633540 776247677 /nfs/dbraw/zinc/24/76/77/776247677.db2.gz XHJFPOCGQUMXOK-QMMMGPOBSA-N 1 2 271.773 1.787 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(-n2cccn2)cc1 ZINC001038348743 776267972 /nfs/dbraw/zinc/26/79/72/776267972.db2.gz CTYJJMRQVLWIEH-INIZCTEOSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-n2cccn2)cc1 ZINC001038348743 776267988 /nfs/dbraw/zinc/26/79/88/776267988.db2.gz CTYJJMRQVLWIEH-INIZCTEOSA-N 1 2 294.358 1.310 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccnnc2)[C@H]1C ZINC000993865293 776311457 /nfs/dbraw/zinc/31/14/57/776311457.db2.gz VEIMBWTWWHMCOO-DGCLKSJQSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccnnc2)[C@H]1C ZINC000993865293 776311467 /nfs/dbraw/zinc/31/14/67/776311467.db2.gz VEIMBWTWWHMCOO-DGCLKSJQSA-N 1 2 294.786 1.812 20 30 CDEDLO CC(C)(F)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001009864817 776364577 /nfs/dbraw/zinc/36/45/77/776364577.db2.gz NZJUKUFNZWJXOV-AWEZNQCLSA-N 1 2 289.354 1.997 20 30 CDEDLO CC(C)(F)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001009864817 776364592 /nfs/dbraw/zinc/36/45/92/776364592.db2.gz NZJUKUFNZWJXOV-AWEZNQCLSA-N 1 2 289.354 1.997 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2cncc3[nH]ccc32)C1 ZINC001043224690 776440337 /nfs/dbraw/zinc/44/03/37/776440337.db2.gz DKJIRSUJGFPHTC-UHFFFAOYSA-N 1 2 270.336 1.505 20 30 CDEDLO C=CC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3[nH]nnc3c2)C1 ZINC001034034589 776460854 /nfs/dbraw/zinc/46/08/54/776460854.db2.gz KNLXGFRUFIRPCZ-ZDUSSCGKSA-N 1 2 299.378 1.680 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3[nH]nnc3c2)C1 ZINC001034034589 776460874 /nfs/dbraw/zinc/46/08/74/776460874.db2.gz KNLXGFRUFIRPCZ-ZDUSSCGKSA-N 1 2 299.378 1.680 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc2c1OCCO2 ZINC000819419728 776472239 /nfs/dbraw/zinc/47/22/39/776472239.db2.gz HYBXRQPSKFORII-GFCCVEGCSA-N 1 2 291.351 1.076 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc2c1OCCO2 ZINC000819419728 776472252 /nfs/dbraw/zinc/47/22/52/776472252.db2.gz HYBXRQPSKFORII-GFCCVEGCSA-N 1 2 291.351 1.076 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1cncs1 ZINC000889509535 776585212 /nfs/dbraw/zinc/58/52/12/776585212.db2.gz VXRWNOLDTFAXJZ-QWRGUYRKSA-N 1 2 263.366 1.418 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1cncs1 ZINC000889509535 776585232 /nfs/dbraw/zinc/58/52/32/776585232.db2.gz VXRWNOLDTFAXJZ-QWRGUYRKSA-N 1 2 263.366 1.418 20 30 CDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cocn1 ZINC001031580497 776605008 /nfs/dbraw/zinc/60/50/08/776605008.db2.gz UFMXHJHCZXMBRC-UHFFFAOYSA-N 1 2 295.342 1.388 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CCNc1cccnc1C#N ZINC000872771708 776703124 /nfs/dbraw/zinc/70/31/24/776703124.db2.gz KSQUGDZASHCRIF-GFCCVEGCSA-N 1 2 260.341 1.476 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CCNc1cccnc1C#N ZINC000872771708 776703143 /nfs/dbraw/zinc/70/31/43/776703143.db2.gz KSQUGDZASHCRIF-GFCCVEGCSA-N 1 2 260.341 1.476 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000816054425 776744084 /nfs/dbraw/zinc/74/40/84/776744084.db2.gz DZXRPZHWZRDAAO-LBPRGKRZSA-N 1 2 277.299 1.462 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000816054425 776744111 /nfs/dbraw/zinc/74/41/11/776744111.db2.gz DZXRPZHWZRDAAO-LBPRGKRZSA-N 1 2 277.299 1.462 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2cnn3ccccc23)C1 ZINC001042954691 776806789 /nfs/dbraw/zinc/80/67/89/776806789.db2.gz JIVJVPHUYDBCHR-UHFFFAOYSA-N 1 2 298.390 1.596 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001032810798 776823233 /nfs/dbraw/zinc/82/32/33/776823233.db2.gz LNHYUEWNPIDWPP-DPNXGZFNSA-N 1 2 284.403 1.587 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001032810798 776823234 /nfs/dbraw/zinc/82/32/34/776823234.db2.gz LNHYUEWNPIDWPP-DPNXGZFNSA-N 1 2 284.403 1.587 20 30 CDEDLO CSCC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004331968 776862799 /nfs/dbraw/zinc/86/27/99/776862799.db2.gz OPAHJQJDTHYWBO-CYBMUJFWSA-N 1 2 281.425 1.576 20 30 CDEDLO CSCC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004331968 776862806 /nfs/dbraw/zinc/86/28/06/776862806.db2.gz OPAHJQJDTHYWBO-CYBMUJFWSA-N 1 2 281.425 1.576 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1ncccc1F ZINC000834749641 776863326 /nfs/dbraw/zinc/86/33/26/776863326.db2.gz UKUZFTLNSAHQFL-YPMHNXCESA-N 1 2 275.327 1.496 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1ncccc1F ZINC000834749641 776863329 /nfs/dbraw/zinc/86/33/29/776863329.db2.gz UKUZFTLNSAHQFL-YPMHNXCESA-N 1 2 275.327 1.496 20 30 CDEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2F)C1 ZINC001047372715 776871870 /nfs/dbraw/zinc/87/18/70/776871870.db2.gz KMSHAEFUQLIXFL-RYUDHWBXSA-N 1 2 296.367 1.028 20 30 CDEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2F)C1 ZINC001047372715 776871873 /nfs/dbraw/zinc/87/18/73/776871873.db2.gz KMSHAEFUQLIXFL-RYUDHWBXSA-N 1 2 296.367 1.028 20 30 CDEDLO C#C[C@H]([NH2+]Cc1cnn(C)c1Cl)[C@H]1CCCO1 ZINC000815135439 776875915 /nfs/dbraw/zinc/87/59/15/776875915.db2.gz BMFCLUAJNOGQDX-WDEREUQCSA-N 1 2 253.733 1.344 20 30 CDEDLO Cc1nc(N[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)cc[nH+]1 ZINC001056594352 776877189 /nfs/dbraw/zinc/87/71/89/776877189.db2.gz AYWFMBPJHAVTOW-GFCCVEGCSA-N 1 2 296.334 1.311 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccn2ccnc12 ZINC001032678146 776889311 /nfs/dbraw/zinc/88/93/11/776889311.db2.gz CYMBLFDDRJBUAC-KBPBESRZSA-N 1 2 294.358 1.256 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccn2ccnc12 ZINC001032678146 776889313 /nfs/dbraw/zinc/88/93/13/776889313.db2.gz CYMBLFDDRJBUAC-KBPBESRZSA-N 1 2 294.358 1.256 20 30 CDEDLO C=CCN1CCN(C[NH+]2CCC(C)(C#N)CC2)C1=O ZINC000840041700 776925427 /nfs/dbraw/zinc/92/54/27/776925427.db2.gz LIYOEMXCMMIJHP-UHFFFAOYSA-N 1 2 262.357 1.493 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cccc(OCC)n2)C1 ZINC001043416661 776930365 /nfs/dbraw/zinc/93/03/65/776930365.db2.gz FJVBZHLCIUTCDK-UHFFFAOYSA-N 1 2 289.379 1.351 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCCC(=O)C2)C1 ZINC000923560603 776962319 /nfs/dbraw/zinc/96/23/19/776962319.db2.gz YRAATBGFRZTAFM-LSDHHAIUSA-N 1 2 290.407 1.740 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCCC(=O)C2)C1 ZINC000923560603 776962342 /nfs/dbraw/zinc/96/23/42/776962342.db2.gz YRAATBGFRZTAFM-LSDHHAIUSA-N 1 2 290.407 1.740 20 30 CDEDLO CS[C@@H]1CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000840113044 777009045 /nfs/dbraw/zinc/00/90/45/777009045.db2.gz JTZKIAOPPAMFNS-GFCCVEGCSA-N 1 2 289.404 1.603 20 30 CDEDLO CS[C@@H]1CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000840113044 777009055 /nfs/dbraw/zinc/00/90/55/777009055.db2.gz JTZKIAOPPAMFNS-GFCCVEGCSA-N 1 2 289.404 1.603 20 30 CDEDLO C[C@H](CC(=O)N1CCC[C@H](N(C)CC#N)C1)n1cc[nH+]c1 ZINC001027598492 777030749 /nfs/dbraw/zinc/03/07/49/777030749.db2.gz RGXWXQGEIAGKJD-KGLIPLIRSA-N 1 2 289.383 1.281 20 30 CDEDLO CNC(=O)c1ccc(C=NNc2[nH+]ccn2C)cc1 ZINC000790301101 777063569 /nfs/dbraw/zinc/06/35/69/777063569.db2.gz BNPLLRMGWSGEEG-UHFFFAOYSA-N 1 2 257.297 1.226 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc2c1OCO2 ZINC000819468889 777083076 /nfs/dbraw/zinc/08/30/76/777083076.db2.gz UPWRNZZTQOYWHL-NSHDSACASA-N 1 2 277.324 1.034 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc2c1OCO2 ZINC000819468889 777083085 /nfs/dbraw/zinc/08/30/85/777083085.db2.gz UPWRNZZTQOYWHL-NSHDSACASA-N 1 2 277.324 1.034 20 30 CDEDLO C=CCN(CC(=O)OCC)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000844359637 777219587 /nfs/dbraw/zinc/21/95/87/777219587.db2.gz OIGAPLNSJZODST-GFCCVEGCSA-N 1 2 279.340 1.412 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccn[nH]1 ZINC001054033165 777227237 /nfs/dbraw/zinc/22/72/37/777227237.db2.gz NSVSBCRPTUPUOR-HNNXBMFYSA-N 1 2 294.358 1.200 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccn[nH]1 ZINC001054033165 777227246 /nfs/dbraw/zinc/22/72/46/777227246.db2.gz NSVSBCRPTUPUOR-HNNXBMFYSA-N 1 2 294.358 1.200 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2=CCOCC2)C1 ZINC001010726946 777243181 /nfs/dbraw/zinc/24/31/81/777243181.db2.gz ONBVFZQIOYDOKM-LBPRGKRZSA-N 1 2 270.760 1.276 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2=CCOCC2)C1 ZINC001010726946 777243192 /nfs/dbraw/zinc/24/31/92/777243192.db2.gz ONBVFZQIOYDOKM-LBPRGKRZSA-N 1 2 270.760 1.276 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccoc2C2CC2)C1 ZINC001035492585 777260986 /nfs/dbraw/zinc/26/09/86/777260986.db2.gz YDEBNZVTNVDDGR-CYBMUJFWSA-N 1 2 290.363 1.774 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccoc2C2CC2)C1 ZINC001035492585 777260996 /nfs/dbraw/zinc/26/09/96/777260996.db2.gz YDEBNZVTNVDDGR-CYBMUJFWSA-N 1 2 290.363 1.774 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2nc(C)cc2C)C1 ZINC001015174826 777280746 /nfs/dbraw/zinc/28/07/46/777280746.db2.gz PJTNZFDAWJMMJD-CYBMUJFWSA-N 1 2 296.802 1.443 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2nc(C)cc2C)C1 ZINC001015174826 777280753 /nfs/dbraw/zinc/28/07/53/777280753.db2.gz PJTNZFDAWJMMJD-CYBMUJFWSA-N 1 2 296.802 1.443 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000884332960 777311769 /nfs/dbraw/zinc/31/17/69/777311769.db2.gz ZXMZXFJVXKVZDY-DVOMOZLQSA-N 1 2 294.395 1.472 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(C)nc1 ZINC001018277215 777327424 /nfs/dbraw/zinc/32/74/24/777327424.db2.gz NWKNOBJDXHYJFK-IYBDPMFKSA-N 1 2 283.375 1.241 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(C)nc1 ZINC001018277215 777327434 /nfs/dbraw/zinc/32/74/34/777327434.db2.gz NWKNOBJDXHYJFK-IYBDPMFKSA-N 1 2 283.375 1.241 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2cc(CC)c[nH]c2=O)C1 ZINC001044114026 777333627 /nfs/dbraw/zinc/33/36/27/777333627.db2.gz HCUBESVSAVUTQN-UHFFFAOYSA-N 1 2 275.352 1.292 20 30 CDEDLO CC(C)C#CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000831071854 777384023 /nfs/dbraw/zinc/38/40/23/777384023.db2.gz JBZWJYXOCXEUPK-CYBMUJFWSA-N 1 2 257.337 1.436 20 30 CDEDLO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cocn1)CCO2 ZINC001053188042 777408488 /nfs/dbraw/zinc/40/84/88/777408488.db2.gz YELGNMADKMOCMD-UHFFFAOYSA-N 1 2 291.351 1.168 20 30 CDEDLO C=CC[N@H+]1CC[C@@](C)(NC(=O)c2[nH]nc(C)c2C)C1 ZINC001046199421 777420442 /nfs/dbraw/zinc/42/04/42/777420442.db2.gz GVVUNNOBQXOXLV-CQSZACIVSA-N 1 2 262.357 1.407 20 30 CDEDLO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2[nH]nc(C)c2C)C1 ZINC001046199421 777420447 /nfs/dbraw/zinc/42/04/47/777420447.db2.gz GVVUNNOBQXOXLV-CQSZACIVSA-N 1 2 262.357 1.407 20 30 CDEDLO C=CC[C@H](CO)CNc1cc(NCCC)[nH+]cn1 ZINC000865655886 777532387 /nfs/dbraw/zinc/53/23/87/777532387.db2.gz HXZBMMSWKICFJM-NSHDSACASA-N 1 2 250.346 1.895 20 30 CDEDLO C=CC[C@H](CO)CNc1cc(NCCC)nc[nH+]1 ZINC000865655886 777532397 /nfs/dbraw/zinc/53/23/97/777532397.db2.gz HXZBMMSWKICFJM-NSHDSACASA-N 1 2 250.346 1.895 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032317572 777588451 /nfs/dbraw/zinc/58/84/51/777588451.db2.gz WFAWNPRGWWRQAZ-KCXAZCMYSA-N 1 2 294.358 1.503 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032317572 777588454 /nfs/dbraw/zinc/58/84/54/777588454.db2.gz WFAWNPRGWWRQAZ-KCXAZCMYSA-N 1 2 294.358 1.503 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2n[nH]c3ccccc32)C1 ZINC001031432502 777620918 /nfs/dbraw/zinc/62/09/18/777620918.db2.gz PGDAPEQWVIKUNB-UHFFFAOYSA-N 1 2 284.363 1.482 20 30 CDEDLO C#CCOc1cccc(Cl)c1C[NH2+]CC(=O)NC(C)C ZINC000778151349 777648257 /nfs/dbraw/zinc/64/82/57/777648257.db2.gz HGVGNOPVYUTMGB-UHFFFAOYSA-N 1 2 294.782 1.966 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1CC(C)(C)C1)CO2 ZINC001053792047 777702740 /nfs/dbraw/zinc/70/27/40/777702740.db2.gz RXKQBSUYLDJYFX-AWEZNQCLSA-N 1 2 290.407 1.405 20 30 CDEDLO C#CCCN(CCOC)C(=O)NCc1c[nH+]c(C)cc1C ZINC000854120400 777726441 /nfs/dbraw/zinc/72/64/41/777726441.db2.gz HVUWDELTAMUEAU-UHFFFAOYSA-N 1 2 289.379 1.880 20 30 CDEDLO C=CC[NH+]1CC(CNC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001031808980 777786775 /nfs/dbraw/zinc/78/67/75/777786775.db2.gz FJXBUNQVEFHRQT-UHFFFAOYSA-N 1 2 274.368 1.136 20 30 CDEDLO N#CCN[C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001019599720 777814328 /nfs/dbraw/zinc/81/43/28/777814328.db2.gz IQYNPMVMNCFULD-AWEZNQCLSA-N 1 2 295.346 1.200 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccn1CC ZINC001018267820 777846411 /nfs/dbraw/zinc/84/64/11/777846411.db2.gz OJMMYJKRSBFEDM-OKILXGFUSA-N 1 2 271.364 1.430 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccn1CC ZINC001018267820 777846412 /nfs/dbraw/zinc/84/64/12/777846412.db2.gz OJMMYJKRSBFEDM-OKILXGFUSA-N 1 2 271.364 1.430 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2=CCCCCC2)C1 ZINC001035342677 777847308 /nfs/dbraw/zinc/84/73/08/777847308.db2.gz FBOPXYKXLZJSQJ-HNNXBMFYSA-N 1 2 278.396 1.880 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C2=CCCCCC2)C1 ZINC001035342677 777847312 /nfs/dbraw/zinc/84/73/12/777847312.db2.gz FBOPXYKXLZJSQJ-HNNXBMFYSA-N 1 2 278.396 1.880 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccs2)C1 ZINC001035291857 777859327 /nfs/dbraw/zinc/85/93/27/777859327.db2.gz YOFUFHRXGSWJEP-LBPRGKRZSA-N 1 2 280.393 1.755 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccs2)C1 ZINC001035291857 777859330 /nfs/dbraw/zinc/85/93/30/777859330.db2.gz YOFUFHRXGSWJEP-LBPRGKRZSA-N 1 2 280.393 1.755 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cccc(COC)c2)C1 ZINC001044173585 777889954 /nfs/dbraw/zinc/88/99/54/777889954.db2.gz JCDVEFGPXCSXSJ-UHFFFAOYSA-N 1 2 288.391 1.704 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@]1(C)C=CCC1)CCO2 ZINC001053380889 777934795 /nfs/dbraw/zinc/93/47/95/777934795.db2.gz NVNWZVPUKFOOSR-MRXNPFEDSA-N 1 2 290.407 1.832 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccnc(-n3cccc3)c2)C1 ZINC001030484684 777969826 /nfs/dbraw/zinc/96/98/26/777969826.db2.gz WBPGEZBCKVLOCW-UHFFFAOYSA-N 1 2 296.374 1.862 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)[C@H]1CCCO1 ZINC000775791999 778114399 /nfs/dbraw/zinc/11/43/99/778114399.db2.gz PKUKGUBPMYSPQH-UKRRQHHQSA-N 1 2 297.358 1.204 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccc2ccsc21 ZINC001032457459 778255204 /nfs/dbraw/zinc/25/52/04/778255204.db2.gz YIENDSQEUFZFRA-STQMWFEESA-N 1 2 297.383 1.828 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccc2ccsc21 ZINC001032457459 778255222 /nfs/dbraw/zinc/25/52/22/778255222.db2.gz YIENDSQEUFZFRA-STQMWFEESA-N 1 2 297.383 1.828 20 30 CDEDLO CC[C@](C)([NH2+]C[C@@H](O)CC1(C#N)CCC1)C(=O)OC ZINC000886100259 778295822 /nfs/dbraw/zinc/29/58/22/778295822.db2.gz JQHGWJNFMLWPGA-AAEUAGOBSA-N 1 2 268.357 1.363 20 30 CDEDLO C#CC1CC[NH+]([C@H]2CC(=O)N(CC(F)(F)F)C2=O)CC1 ZINC000843267610 778305218 /nfs/dbraw/zinc/30/52/18/778305218.db2.gz BGECGLYQUYZVFF-JTQLQIEISA-N 1 2 288.269 1.021 20 30 CDEDLO CC[NH+]1CCN(C(=O)[C@H](C)SCCO[C@@H](C)C#N)CC1 ZINC000808367811 778315973 /nfs/dbraw/zinc/31/59/73/778315973.db2.gz MMLIZPPSHDBROE-STQMWFEESA-N 1 2 299.440 1.201 20 30 CDEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1CCOC1 ZINC001038093794 778331822 /nfs/dbraw/zinc/33/18/22/778331822.db2.gz BGCDCOBUENETLZ-IRXDYDNUSA-N 1 2 298.386 1.265 20 30 CDEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1CCOC1 ZINC001038093794 778331823 /nfs/dbraw/zinc/33/18/23/778331823.db2.gz BGCDCOBUENETLZ-IRXDYDNUSA-N 1 2 298.386 1.265 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)CC(C)(C)C#N ZINC000785087434 778350477 /nfs/dbraw/zinc/35/04/77/778350477.db2.gz VCFJAJQBKIEQFM-NSHDSACASA-N 1 2 254.330 1.190 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCN(C)c2ccccc21 ZINC001038356308 778378554 /nfs/dbraw/zinc/37/85/54/778378554.db2.gz IVWQKFFTNZLMSY-ZBFHGGJFSA-N 1 2 297.402 1.434 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCN(C)c2ccccc21 ZINC001038356308 778378556 /nfs/dbraw/zinc/37/85/56/778378556.db2.gz IVWQKFFTNZLMSY-ZBFHGGJFSA-N 1 2 297.402 1.434 20 30 CDEDLO C#CC1(F)CN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000883552608 778382878 /nfs/dbraw/zinc/38/28/78/778382878.db2.gz WAEGEGQXCCARSW-LBPRGKRZSA-N 1 2 288.326 1.027 20 30 CDEDLO N#CCOc1ccccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000174749361 778417762 /nfs/dbraw/zinc/41/77/62/778417762.db2.gz JGRXDQHIWOOEHF-UHFFFAOYSA-N 1 2 270.292 1.285 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)C1(C#N)CCCC1 ZINC000928645582 778444571 /nfs/dbraw/zinc/44/45/71/778444571.db2.gz WQNQUDHMRJBVSA-CYBMUJFWSA-N 1 2 279.384 1.297 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)n2nc(C)cc2C)C1 ZINC001031470143 778625494 /nfs/dbraw/zinc/62/54/94/778625494.db2.gz OAQPJSIZTCOSBW-ZDUSSCGKSA-N 1 2 276.384 1.437 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874892825 778632799 /nfs/dbraw/zinc/63/27/99/778632799.db2.gz MFJMRYUUCODYRY-ZWNOBZJWSA-N 1 2 261.300 1.458 20 30 CDEDLO C#C[C@@H](C)[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000184695996 778684747 /nfs/dbraw/zinc/68/47/47/778684747.db2.gz YMBXARBHTNZQTR-LDYMZIIASA-N 1 2 281.153 1.587 20 30 CDEDLO Cn1c[nH+]cc1CN1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017540477 778782265 /nfs/dbraw/zinc/78/22/65/778782265.db2.gz KKLHARFGXPRCQO-GASCZTMLSA-N 1 2 298.390 1.009 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(C[C@H]3CCC(=O)O3)CC2)cc1 ZINC000821347923 778784274 /nfs/dbraw/zinc/78/42/74/778784274.db2.gz JERVOVKPZLWBKH-MRXNPFEDSA-N 1 2 299.374 1.381 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC23CC3)C1 ZINC001035414586 778800611 /nfs/dbraw/zinc/80/06/11/778800611.db2.gz BDKBJKCYQPQUCO-CABCVRRESA-N 1 2 292.423 1.960 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC23CC3)C1 ZINC001035414586 778800614 /nfs/dbraw/zinc/80/06/14/778800614.db2.gz BDKBJKCYQPQUCO-CABCVRRESA-N 1 2 292.423 1.960 20 30 CDEDLO C#CC[C@@H]1NC(=O)N(Cc2cc(C)[nH+]c(C)c2)C1=O ZINC000817572918 778836442 /nfs/dbraw/zinc/83/64/42/778836442.db2.gz FMZAYWNIIPHNQY-LBPRGKRZSA-N 1 2 257.293 1.142 20 30 CDEDLO C#CCOCCNc1nc(NC)c2ccccc2[nH+]1 ZINC000827900765 778863809 /nfs/dbraw/zinc/86/38/09/778863809.db2.gz TYUNSKZWJOLZNV-UHFFFAOYSA-N 1 2 256.309 1.733 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC001033225179 778871839 /nfs/dbraw/zinc/87/18/39/778871839.db2.gz NVIGRJWDEPDFLK-ZDUSSCGKSA-N 1 2 296.374 1.651 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC001033225179 778871842 /nfs/dbraw/zinc/87/18/42/778871842.db2.gz NVIGRJWDEPDFLK-ZDUSSCGKSA-N 1 2 296.374 1.651 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc2c1CN(C)C2=O ZINC000839820502 778875460 /nfs/dbraw/zinc/87/54/60/778875460.db2.gz BNMFMKUDWNDTOD-HNNXBMFYSA-N 1 2 297.358 1.308 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc2c1CN(C)C2=O ZINC000839820502 778875466 /nfs/dbraw/zinc/87/54/66/778875466.db2.gz BNMFMKUDWNDTOD-HNNXBMFYSA-N 1 2 297.358 1.308 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(F)(F)C1 ZINC001032435794 778895421 /nfs/dbraw/zinc/89/54/21/778895421.db2.gz CTICVEONCPSEBC-SRVKXCTJSA-N 1 2 268.307 1.340 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(F)(F)C1 ZINC001032435794 778895423 /nfs/dbraw/zinc/89/54/23/778895423.db2.gz CTICVEONCPSEBC-SRVKXCTJSA-N 1 2 268.307 1.340 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)C2CC2)cc1F ZINC001037981873 778898717 /nfs/dbraw/zinc/89/87/17/778898717.db2.gz WULASDCRBAMRFU-CQSZACIVSA-N 1 2 287.338 1.798 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)C2CC2)cc1F ZINC001037981873 778898720 /nfs/dbraw/zinc/89/87/20/778898720.db2.gz WULASDCRBAMRFU-CQSZACIVSA-N 1 2 287.338 1.798 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(F)cccc1OC ZINC001038283143 778903674 /nfs/dbraw/zinc/90/36/74/778903674.db2.gz XWEHCJANOGPIDD-LLVKDONJSA-N 1 2 276.311 1.272 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(F)cccc1OC ZINC001038283143 778903683 /nfs/dbraw/zinc/90/36/83/778903683.db2.gz XWEHCJANOGPIDD-LLVKDONJSA-N 1 2 276.311 1.272 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(Cl)cn2CC)C1 ZINC001031397704 778937745 /nfs/dbraw/zinc/93/77/45/778937745.db2.gz LZIJUWKHSBVFCX-UHFFFAOYSA-N 1 2 279.771 1.599 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(F)(F)c2nccs2)C1 ZINC000923564185 778965135 /nfs/dbraw/zinc/96/51/35/778965135.db2.gz OEEPSALAFFDBGZ-JTQLQIEISA-N 1 2 299.346 1.449 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(F)(F)c2nccs2)C1 ZINC000923564185 778965139 /nfs/dbraw/zinc/96/51/39/778965139.db2.gz OEEPSALAFFDBGZ-JTQLQIEISA-N 1 2 299.346 1.449 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)C(=O)N2[C@@H](C)CCC[C@@H]2C)C1 ZINC001031161414 778970584 /nfs/dbraw/zinc/97/05/84/778970584.db2.gz ONKJBLKEQKSZAT-STQMWFEESA-N 1 2 293.411 1.152 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)n(C)c1C ZINC001032773849 779017557 /nfs/dbraw/zinc/01/75/57/779017557.db2.gz MDLMJUCIJMOVKK-KBPBESRZSA-N 1 2 271.364 1.174 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)n(C)c1C ZINC001032773849 779017575 /nfs/dbraw/zinc/01/75/75/779017575.db2.gz MDLMJUCIJMOVKK-KBPBESRZSA-N 1 2 271.364 1.174 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2ccccc2n1 ZINC001038955453 779028421 /nfs/dbraw/zinc/02/84/21/779028421.db2.gz JUCBKNYORBOXLA-AWEZNQCLSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2ccccc2n1 ZINC001038955453 779028429 /nfs/dbraw/zinc/02/84/29/779028429.db2.gz JUCBKNYORBOXLA-AWEZNQCLSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2snnc2CC)CC[C@H]1C ZINC001071662596 779049790 /nfs/dbraw/zinc/04/97/90/779049790.db2.gz DENKIIMIIQNINY-MNOVXSKESA-N 1 2 292.408 1.316 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2snnc2CC)CC[C@H]1C ZINC001071662596 779049794 /nfs/dbraw/zinc/04/97/94/779049794.db2.gz DENKIIMIIQNINY-MNOVXSKESA-N 1 2 292.408 1.316 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc(F)n3)CC2)nc1 ZINC000846959601 779055604 /nfs/dbraw/zinc/05/56/04/779055604.db2.gz QXFWQDIGNGIPAB-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)C2SCCCS2)CC1 ZINC000841387314 779073774 /nfs/dbraw/zinc/07/37/74/779073774.db2.gz SHDGGPWYKDOOPR-UHFFFAOYSA-N 1 2 284.450 1.350 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCO[C@H](CC)C2)C1 ZINC001031216758 779099604 /nfs/dbraw/zinc/09/96/04/779099604.db2.gz ZUXJOOVQIOYROJ-GXTWGEPZSA-N 1 2 266.385 1.568 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cnc(CC)s2)C1 ZINC001034053379 779111707 /nfs/dbraw/zinc/11/17/07/779111707.db2.gz RIJPDWNAEBBEHB-GFCCVEGCSA-N 1 2 291.420 1.875 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnc(CC)s2)C1 ZINC001034053379 779111719 /nfs/dbraw/zinc/11/17/19/779111719.db2.gz RIJPDWNAEBBEHB-GFCCVEGCSA-N 1 2 291.420 1.875 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2cnccc2o1 ZINC001038466799 779174401 /nfs/dbraw/zinc/17/44/01/779174401.db2.gz VEWYBGMLNIPRNP-ZDUSSCGKSA-N 1 2 283.331 1.655 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2cnccc2o1 ZINC001038466799 779174416 /nfs/dbraw/zinc/17/44/16/779174416.db2.gz VEWYBGMLNIPRNP-ZDUSSCGKSA-N 1 2 283.331 1.655 20 30 CDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844448928 779175124 /nfs/dbraw/zinc/17/51/24/779175124.db2.gz AWBRAAOIRHCZNW-BETUJISGSA-N 1 2 291.301 1.371 20 30 CDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844448928 779175129 /nfs/dbraw/zinc/17/51/29/779175129.db2.gz AWBRAAOIRHCZNW-BETUJISGSA-N 1 2 291.301 1.371 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1CCC1)CO2 ZINC001053715318 779198180 /nfs/dbraw/zinc/19/81/80/779198180.db2.gz WNBRZAMVJMEFEG-CYBMUJFWSA-N 1 2 264.369 1.322 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)OCCc1c[nH+]cn1C ZINC000835324100 779245082 /nfs/dbraw/zinc/24/50/82/779245082.db2.gz QBCAWVMSVWJQOL-NEPJUHHUSA-N 1 2 250.298 1.097 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2n[nH]cc2c1 ZINC001038640655 779251943 /nfs/dbraw/zinc/25/19/43/779251943.db2.gz VAGXGDBYYJRZEQ-CYBMUJFWSA-N 1 2 268.320 1.000 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2n[nH]cc2c1 ZINC001038640655 779251944 /nfs/dbraw/zinc/25/19/44/779251944.db2.gz VAGXGDBYYJRZEQ-CYBMUJFWSA-N 1 2 268.320 1.000 20 30 CDEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)c2cnccc2N(C)C)C1 ZINC001009233100 779292679 /nfs/dbraw/zinc/29/26/79/779292679.db2.gz YHHGCXKGOWKTFD-CYBMUJFWSA-N 1 2 288.395 1.528 20 30 CDEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cnccc2N(C)C)C1 ZINC001009233100 779292684 /nfs/dbraw/zinc/29/26/84/779292684.db2.gz YHHGCXKGOWKTFD-CYBMUJFWSA-N 1 2 288.395 1.528 20 30 CDEDLO C=CCN1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001009233100 779292689 /nfs/dbraw/zinc/29/26/89/779292689.db2.gz YHHGCXKGOWKTFD-CYBMUJFWSA-N 1 2 288.395 1.528 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(CC)(CC)C1 ZINC000884134135 779310448 /nfs/dbraw/zinc/31/04/48/779310448.db2.gz XQRZHFYDCJJXMV-LBPRGKRZSA-N 1 2 282.384 1.472 20 30 CDEDLO C#CC[N@H+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000926489838 779326090 /nfs/dbraw/zinc/32/60/90/779326090.db2.gz KHFKIYOTOLTFST-ALOPSCKCSA-N 1 2 293.455 1.173 20 30 CDEDLO CCCNC(=S)N[NH+]=Cc1ccc(N(C)CC)nc1 ZINC000790151926 779344487 /nfs/dbraw/zinc/34/44/87/779344487.db2.gz VPLFCCTWXKBIQY-UHFFFAOYSA-N 1 2 279.413 1.746 20 30 CDEDLO CC(C)C#CC(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000829047300 779370638 /nfs/dbraw/zinc/37/06/38/779370638.db2.gz FQKPWTJNHKBVII-UHFFFAOYSA-N 1 2 272.339 1.834 20 30 CDEDLO CC(C)C#CC(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000829047300 779370644 /nfs/dbraw/zinc/37/06/44/779370644.db2.gz FQKPWTJNHKBVII-UHFFFAOYSA-N 1 2 272.339 1.834 20 30 CDEDLO C#CCC1(NC(=O)[C@H](CC)[N@@H+]2CCO[C@@H](CC)C2)CCC1 ZINC000886798233 779380419 /nfs/dbraw/zinc/38/04/19/779380419.db2.gz SWEOZYUTROGPPB-GJZGRUSLSA-N 1 2 292.423 1.938 20 30 CDEDLO C#CCC1(NC(=O)[C@H](CC)[N@H+]2CCO[C@@H](CC)C2)CCC1 ZINC000886798233 779380426 /nfs/dbraw/zinc/38/04/26/779380426.db2.gz SWEOZYUTROGPPB-GJZGRUSLSA-N 1 2 292.423 1.938 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c[nH]c3ccccc23)C1 ZINC001030623980 779409400 /nfs/dbraw/zinc/40/94/00/779409400.db2.gz FGOWIKGCEGRLFH-UHFFFAOYSA-N 1 2 267.332 1.605 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001075820217 779414499 /nfs/dbraw/zinc/41/44/99/779414499.db2.gz SEQDBDCIKPVHCS-IVZWLZJFSA-N 1 2 280.265 1.606 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001075820217 779414515 /nfs/dbraw/zinc/41/45/15/779414515.db2.gz SEQDBDCIKPVHCS-IVZWLZJFSA-N 1 2 280.265 1.606 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001017568523 779419998 /nfs/dbraw/zinc/41/99/98/779419998.db2.gz AWYUJWBJWMLDJB-BPKGMFCQSA-N 1 2 284.403 1.897 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001017568523 779420004 /nfs/dbraw/zinc/42/00/04/779420004.db2.gz AWYUJWBJWMLDJB-BPKGMFCQSA-N 1 2 284.403 1.897 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)cc1 ZINC000783728442 779432105 /nfs/dbraw/zinc/43/21/05/779432105.db2.gz IEGXANZVKPNNPR-CHWSQXEVSA-N 1 2 287.363 1.640 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CC(=O)N(C)C[C@H]2C)cc1 ZINC000783728442 779432112 /nfs/dbraw/zinc/43/21/12/779432112.db2.gz IEGXANZVKPNNPR-CHWSQXEVSA-N 1 2 287.363 1.640 20 30 CDEDLO C=CC(C)(C)CC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000880805595 779459181 /nfs/dbraw/zinc/45/91/81/779459181.db2.gz DJMOMBGDXANWGV-UHFFFAOYSA-N 1 2 298.427 1.396 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1csc([C@H](C)OC)n1 ZINC001038257157 779488735 /nfs/dbraw/zinc/48/87/35/779488735.db2.gz ZVTCKTQWZHYQIG-WDEREUQCSA-N 1 2 295.408 1.841 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1csc([C@H](C)OC)n1 ZINC001038257157 779488738 /nfs/dbraw/zinc/48/87/38/779488738.db2.gz ZVTCKTQWZHYQIG-WDEREUQCSA-N 1 2 295.408 1.841 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2csc([C@@H](C)OC)n2)C1 ZINC001030314759 779495645 /nfs/dbraw/zinc/49/56/45/779495645.db2.gz HZOTUIGOSUSYDM-SNVBAGLBSA-N 1 2 295.408 1.841 20 30 CDEDLO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2nc[nH]c21 ZINC001038842389 779499567 /nfs/dbraw/zinc/49/95/67/779499567.db2.gz HUTFDMIDJANXJT-GFCCVEGCSA-N 1 2 282.347 1.390 20 30 CDEDLO C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2nc[nH]c21 ZINC001038842389 779499572 /nfs/dbraw/zinc/49/95/72/779499572.db2.gz HUTFDMIDJANXJT-GFCCVEGCSA-N 1 2 282.347 1.390 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2coc(C)n2)C1 ZINC001046255240 779531573 /nfs/dbraw/zinc/53/15/73/779531573.db2.gz PFPTYOZOKNFKCJ-ZDUSSCGKSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2coc(C)n2)C1 ZINC001046255240 779531583 /nfs/dbraw/zinc/53/15/83/779531583.db2.gz PFPTYOZOKNFKCJ-ZDUSSCGKSA-N 1 2 283.759 1.930 20 30 CDEDLO COc1ccc(CCNN=Cc2c[nH+]c(C)n2C)cc1 ZINC000853310805 779698728 /nfs/dbraw/zinc/69/87/28/779698728.db2.gz UHCRYPGXCGHLGW-UHFFFAOYSA-N 1 2 272.352 1.903 20 30 CDEDLO C#CCCCNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000172780082 779785751 /nfs/dbraw/zinc/78/57/51/779785751.db2.gz ZMSRLZZVYBGZMI-CYBMUJFWSA-N 1 2 274.368 1.511 20 30 CDEDLO C#CCCCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000172780082 779785761 /nfs/dbraw/zinc/78/57/61/779785761.db2.gz ZMSRLZZVYBGZMI-CYBMUJFWSA-N 1 2 274.368 1.511 20 30 CDEDLO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](C#N)C1 ZINC000932160447 779809562 /nfs/dbraw/zinc/80/95/62/779809562.db2.gz DQEIEXCEKPPRHU-CABCVRRESA-N 1 2 274.364 1.970 20 30 CDEDLO Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](C#N)C1 ZINC000932160447 779809566 /nfs/dbraw/zinc/80/95/66/779809566.db2.gz DQEIEXCEKPPRHU-CABCVRRESA-N 1 2 274.364 1.970 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(OC)c1C ZINC001032650273 779816546 /nfs/dbraw/zinc/81/65/46/779816546.db2.gz GLXAPANEXBRVPT-GJZGRUSLSA-N 1 2 298.386 1.926 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(OC)c1C ZINC001032650273 779816550 /nfs/dbraw/zinc/81/65/50/779816550.db2.gz GLXAPANEXBRVPT-GJZGRUSLSA-N 1 2 298.386 1.926 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(OCC)c2)C1 ZINC001031016482 779821378 /nfs/dbraw/zinc/82/13/78/779821378.db2.gz LYFUZXBHPMLZFY-UHFFFAOYSA-N 1 2 272.348 1.523 20 30 CDEDLO C=CCC(C)(C)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000796473390 779925609 /nfs/dbraw/zinc/92/56/09/779925609.db2.gz HKAOICLLKNCZJC-LBPRGKRZSA-N 1 2 255.358 1.853 20 30 CDEDLO C=CCC(C)(C)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000796473390 779925619 /nfs/dbraw/zinc/92/56/19/779925619.db2.gz HKAOICLLKNCZJC-LBPRGKRZSA-N 1 2 255.358 1.853 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCCO1)CO2 ZINC001053779605 779971599 /nfs/dbraw/zinc/97/15/99/779971599.db2.gz VAQPQWFQKOWMLU-UONOGXRCSA-N 1 2 294.395 1.091 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(F)F)C2)cc1F ZINC001009807666 780021072 /nfs/dbraw/zinc/02/10/72/780021072.db2.gz FXTIEIPBEYOSJZ-LLVKDONJSA-N 1 2 297.280 1.653 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(F)F)C2)cc1F ZINC001009807666 780021077 /nfs/dbraw/zinc/02/10/77/780021077.db2.gz FXTIEIPBEYOSJZ-LLVKDONJSA-N 1 2 297.280 1.653 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C2CCC2)c1 ZINC001032401084 780037917 /nfs/dbraw/zinc/03/79/17/780037917.db2.gz FOSZZFWJGAITFK-HOTGVXAUSA-N 1 2 298.390 1.530 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C2CCC2)c1 ZINC001032401084 780037937 /nfs/dbraw/zinc/03/79/37/780037937.db2.gz FOSZZFWJGAITFK-HOTGVXAUSA-N 1 2 298.390 1.530 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccc2occc21 ZINC001032532445 780058382 /nfs/dbraw/zinc/05/83/82/780058382.db2.gz ABLRUXZISCIVRA-STQMWFEESA-N 1 2 295.342 1.750 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccc2occc21 ZINC001032532445 780058390 /nfs/dbraw/zinc/05/83/90/780058390.db2.gz ABLRUXZISCIVRA-STQMWFEESA-N 1 2 295.342 1.750 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)c(OC)c1 ZINC001038775947 780064960 /nfs/dbraw/zinc/06/49/60/780064960.db2.gz IXVLABLXBZVQJJ-GFCCVEGCSA-N 1 2 292.766 1.786 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)c(OC)c1 ZINC001038775947 780064965 /nfs/dbraw/zinc/06/49/65/780064965.db2.gz IXVLABLXBZVQJJ-GFCCVEGCSA-N 1 2 292.766 1.786 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1cccc(C)c1 ZINC001032779191 780093797 /nfs/dbraw/zinc/09/37/97/780093797.db2.gz CIEBHQGSJKKDHI-GJZGRUSLSA-N 1 2 284.359 1.292 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1cccc(C)c1 ZINC001032779191 780093799 /nfs/dbraw/zinc/09/37/99/780093799.db2.gz CIEBHQGSJKKDHI-GJZGRUSLSA-N 1 2 284.359 1.292 20 30 CDEDLO Cc1ccccc1C(N)=[NH+]OCC(=O)NCC(F)(F)F ZINC000047823563 780095292 /nfs/dbraw/zinc/09/52/92/780095292.db2.gz RTEUKYNWJBSPLA-UHFFFAOYSA-N 1 2 289.257 1.310 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC001038730213 780118124 /nfs/dbraw/zinc/11/81/24/780118124.db2.gz AQMPBRGTGUPIEY-LBPRGKRZSA-N 1 2 298.346 1.497 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC001038730213 780118128 /nfs/dbraw/zinc/11/81/28/780118128.db2.gz AQMPBRGTGUPIEY-LBPRGKRZSA-N 1 2 298.346 1.497 20 30 CDEDLO C#Cc1ccc(C(=O)OCCCn2cc[nH+]c2)cn1 ZINC000783482326 780123004 /nfs/dbraw/zinc/12/30/04/780123004.db2.gz VSGQJDJWLYENKH-UHFFFAOYSA-N 1 2 255.277 1.507 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(C)nc2OC)C1 ZINC001044014723 780160095 /nfs/dbraw/zinc/16/00/95/780160095.db2.gz DDMAYPVEWGTSJU-UHFFFAOYSA-N 1 2 289.379 1.731 20 30 CDEDLO C=C(C)C[C@@H](CO)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000882898959 780183708 /nfs/dbraw/zinc/18/37/08/780183708.db2.gz ANXXZRYWWPHHSX-ZFWWWQNUSA-N 1 2 296.411 1.073 20 30 CDEDLO C=C(C)C[C@@H](CO)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000882898959 780183716 /nfs/dbraw/zinc/18/37/16/780183716.db2.gz ANXXZRYWWPHHSX-ZFWWWQNUSA-N 1 2 296.411 1.073 20 30 CDEDLO CC(C)CN1CC2(C[NH+](CCCCC#N)C2)OCC1=O ZINC001274043203 1166570205 /nfs/dbraw/zinc/57/02/05/1166570205.db2.gz NDJHQXKQIGFREU-UHFFFAOYSA-N 1 2 279.384 1.249 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3nc[nH]n3)CC2)s1 ZINC001646128039 1167657296 /nfs/dbraw/zinc/65/72/96/1167657296.db2.gz MDKHSXZJMVDRHZ-UHFFFAOYSA-N 1 2 274.353 1.060 20 30 CDEDLO C[N@H+](Cc1ccncc1-c1nn[nH]n1)CC(C)(C)C#N ZINC001609280759 1167941051 /nfs/dbraw/zinc/94/10/51/1167941051.db2.gz AABIFGFQGMNLQI-UHFFFAOYSA-N 1 2 271.328 1.243 20 30 CDEDLO C[N@@H+](Cc1ccncc1-c1nn[nH]n1)CC(C)(C)C#N ZINC001609280759 1167941059 /nfs/dbraw/zinc/94/10/59/1167941059.db2.gz AABIFGFQGMNLQI-UHFFFAOYSA-N 1 2 271.328 1.243 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC1)C2 ZINC001095081871 912369832 /nfs/dbraw/zinc/36/98/32/912369832.db2.gz SLXBREWQFVNVLR-WOPDTQHZSA-N 1 2 254.761 1.870 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC1)C2 ZINC001095081871 912369847 /nfs/dbraw/zinc/36/98/47/912369847.db2.gz SLXBREWQFVNVLR-WOPDTQHZSA-N 1 2 254.761 1.870 20 30 CDEDLO Cc1ccnc(C#N)c1NCC1([NH+]2CCCC2)COC1 ZINC001168451037 913418496 /nfs/dbraw/zinc/41/84/96/913418496.db2.gz WYTROJCNUHRAMB-UHFFFAOYSA-N 1 2 272.352 1.538 20 30 CDEDLO C=CC(C)(C)CC(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122097789 913438892 /nfs/dbraw/zinc/43/88/92/913438892.db2.gz DQALNODKGATVEY-GFCCVEGCSA-N 1 2 292.383 1.276 20 30 CDEDLO C[C@@H](CCNc1ccc(C#N)cn1)NC(=O)Cn1cc[nH+]c1 ZINC001106362207 913880420 /nfs/dbraw/zinc/88/04/20/913880420.db2.gz KFIDMSLKQQFLND-LBPRGKRZSA-N 1 2 298.350 1.157 20 30 CDEDLO Cc1nc(N2CCC(n3cc[nH+]c3)CC2)cnc1C#N ZINC001167125925 894657732 /nfs/dbraw/zinc/65/77/32/894657732.db2.gz JGPHVAFNTDGJCG-UHFFFAOYSA-N 1 2 268.324 1.695 20 30 CDEDLO CC(C)(C#N)C(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001143399587 896143360 /nfs/dbraw/zinc/14/33/60/896143360.db2.gz TYEQDRVBXKIUQD-NSHDSACASA-N 1 2 285.338 1.868 20 30 CDEDLO C[C@H](CCNc1ncccc1C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001106598641 914055306 /nfs/dbraw/zinc/05/53/06/914055306.db2.gz MXHFSRYMOPDPBD-LLVKDONJSA-N 1 2 298.350 1.226 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C)c(C)c3)[C@H]2C1 ZINC001083264215 897839779 /nfs/dbraw/zinc/83/97/79/897839779.db2.gz MOYVCALUEUONAO-DLBZAZTESA-N 1 2 298.386 1.462 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C)c(C)c3)[C@H]2C1 ZINC001083264215 897839784 /nfs/dbraw/zinc/83/97/84/897839784.db2.gz MOYVCALUEUONAO-DLBZAZTESA-N 1 2 298.386 1.462 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001007317408 898597420 /nfs/dbraw/zinc/59/74/20/898597420.db2.gz WQJAOIHMMSTIRK-ZDUSSCGKSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001007317408 898597430 /nfs/dbraw/zinc/59/74/30/898597430.db2.gz WQJAOIHMMSTIRK-ZDUSSCGKSA-N 1 2 296.802 1.296 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCC(C)C)C[C@H]21 ZINC001176913243 914390150 /nfs/dbraw/zinc/39/01/50/914390150.db2.gz RDKODCSLXYFDKP-CVEARBPZSA-N 1 2 292.423 1.748 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCC(C)C)C[C@H]21 ZINC001176913243 914390167 /nfs/dbraw/zinc/39/01/67/914390167.db2.gz RDKODCSLXYFDKP-CVEARBPZSA-N 1 2 292.423 1.748 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)c(Cl)c2)[C@@H](O)C1 ZINC001083749408 914500742 /nfs/dbraw/zinc/50/07/42/914500742.db2.gz XOPGFMMMPRASLE-KGLIPLIRSA-N 1 2 292.766 1.057 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)c(Cl)c2)[C@@H](O)C1 ZINC001083749408 914500760 /nfs/dbraw/zinc/50/07/60/914500760.db2.gz XOPGFMMMPRASLE-KGLIPLIRSA-N 1 2 292.766 1.057 20 30 CDEDLO C=CCCC(=O)NCc1cnn2c1C[N@H+](CCC=C)CC2 ZINC001128251024 921229566 /nfs/dbraw/zinc/22/95/66/921229566.db2.gz JSTQQVWXWTVDAW-UHFFFAOYSA-N 1 2 288.395 1.857 20 30 CDEDLO C=CCCC(=O)NCc1cnn2c1C[N@@H+](CCC=C)CC2 ZINC001128251024 921229574 /nfs/dbraw/zinc/22/95/74/921229574.db2.gz JSTQQVWXWTVDAW-UHFFFAOYSA-N 1 2 288.395 1.857 20 30 CDEDLO C[C@@H]1[C@@H](NC(=O)C(F)F)CC[N@@H+]1Cc1ccccc1C#N ZINC001088438587 907212612 /nfs/dbraw/zinc/21/26/12/907212612.db2.gz LIMPCJPBZWBFIF-MFKMUULPSA-N 1 2 293.317 1.902 20 30 CDEDLO C[C@@H]1[C@@H](NC(=O)C(F)F)CC[N@H+]1Cc1ccccc1C#N ZINC001088438587 907212634 /nfs/dbraw/zinc/21/26/34/907212634.db2.gz LIMPCJPBZWBFIF-MFKMUULPSA-N 1 2 293.317 1.902 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccnn2CC)[C@H]1C ZINC001088540759 907630550 /nfs/dbraw/zinc/63/05/50/907630550.db2.gz RZTVZXBQCSWGQV-NEPJUHHUSA-N 1 2 296.802 1.848 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccnn2CC)[C@H]1C ZINC001088540759 907630556 /nfs/dbraw/zinc/63/05/56/907630556.db2.gz RZTVZXBQCSWGQV-NEPJUHHUSA-N 1 2 296.802 1.848 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168717620 921431660 /nfs/dbraw/zinc/43/16/60/921431660.db2.gz BKTXHWMCHXIATL-NEPJUHHUSA-N 1 2 261.756 1.605 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccoc2)[C@H](O)C1 ZINC001090068513 921598084 /nfs/dbraw/zinc/59/80/84/921598084.db2.gz LXTFFACCXJFGRY-NWDGAFQWSA-N 1 2 284.743 1.197 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccoc2)[C@H](O)C1 ZINC001090068513 921598093 /nfs/dbraw/zinc/59/80/93/921598093.db2.gz LXTFFACCXJFGRY-NWDGAFQWSA-N 1 2 284.743 1.197 20 30 CDEDLO C#Cc1cncc(C(=O)NCCCNc2cc[nH+]c(C)n2)c1 ZINC001094776167 910768067 /nfs/dbraw/zinc/76/80/67/910768067.db2.gz VCWNXTLTLVTGKL-UHFFFAOYSA-N 1 2 295.346 1.393 20 30 CDEDLO C#CCNC(=O)[C@@H]1CC12CCN(c1cc[nH+]c(OC)c1)CC2 ZINC001273585277 921611933 /nfs/dbraw/zinc/61/19/33/921611933.db2.gz OJHSJSAIHPUSDZ-AWEZNQCLSA-N 1 2 299.374 1.446 20 30 CDEDLO C=CC[C@@](C)(NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(=O)OC ZINC001178122532 915230096 /nfs/dbraw/zinc/23/00/96/915230096.db2.gz WHSRSUGJCKHWDO-XHDPSFHLSA-N 1 2 291.351 1.070 20 30 CDEDLO CC(C)C[C@](C)(C#N)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178121406 915230470 /nfs/dbraw/zinc/23/04/70/915230470.db2.gz HEGRZTUQEPWEKE-IUODEOHRSA-N 1 2 274.368 1.890 20 30 CDEDLO C=CCCC(=O)NCC[NH2+]Cc1csc(NC(C)=O)n1 ZINC001124646289 936327494 /nfs/dbraw/zinc/32/74/94/936327494.db2.gz MISQDAHQBWDEHO-UHFFFAOYSA-N 1 2 296.396 1.274 20 30 CDEDLO COc1ccc(CN2CC([N@H+](C)C3COC3)C2)c(C#N)c1 ZINC001137704507 936392687 /nfs/dbraw/zinc/39/26/87/936392687.db2.gz JAESRACUHWYPKC-UHFFFAOYSA-N 1 2 287.363 1.082 20 30 CDEDLO COc1ccc(CN2CC([N@@H+](C)C3COC3)C2)c(C#N)c1 ZINC001137704507 936392691 /nfs/dbraw/zinc/39/26/91/936392691.db2.gz JAESRACUHWYPKC-UHFFFAOYSA-N 1 2 287.363 1.082 20 30 CDEDLO C=CCCOCC(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001097918944 936423888 /nfs/dbraw/zinc/42/38/88/936423888.db2.gz CXBMJDFCYGHZSA-LLVKDONJSA-N 1 2 278.356 1.294 20 30 CDEDLO N#C[C@H]1C[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001124772024 917629077 /nfs/dbraw/zinc/62/90/77/917629077.db2.gz GRQCDLQIJCHVAW-ZWNOBZJWSA-N 1 2 252.277 1.970 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C(F)(F)F)CC1 ZINC001182324730 917780177 /nfs/dbraw/zinc/78/01/77/917780177.db2.gz QFOBXPFMCPLWBX-NXEZZACHSA-N 1 2 262.275 1.515 20 30 CDEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CC(C)(C)C)nn2)C1 ZINC001107129156 918159177 /nfs/dbraw/zinc/15/91/77/918159177.db2.gz JIRONUFFSUHRSR-UHFFFAOYSA-N 1 2 291.399 1.373 20 30 CDEDLO C=C(C[NH+]1CCCC1)C(=O)Nc1ccc2nn[nH]c2c1 ZINC001183076043 918274890 /nfs/dbraw/zinc/27/48/90/918274890.db2.gz OFNXTTPAPOZZCW-UHFFFAOYSA-N 1 2 271.324 1.548 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCOC[C@H]2C)cc1OC ZINC001138342761 936522603 /nfs/dbraw/zinc/52/26/03/936522603.db2.gz CXYMLBKVWGXAEQ-CYBMUJFWSA-N 1 2 275.348 1.928 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCOC[C@H]2C)cc1OC ZINC001138342761 936522606 /nfs/dbraw/zinc/52/26/06/936522606.db2.gz CXYMLBKVWGXAEQ-CYBMUJFWSA-N 1 2 275.348 1.928 20 30 CDEDLO Cc1nc(NC[C@@H](C)NC(=O)C#CC2CC2)cc[nH+]1 ZINC001107720103 918683426 /nfs/dbraw/zinc/68/34/26/918683426.db2.gz OBFLAPCPVFOEFM-SNVBAGLBSA-N 1 2 258.325 1.115 20 30 CDEDLO Cc1ccc(C#N)c(NC[C@@H](C)NC(=O)Cn2cc[nH+]c2)n1 ZINC001107812499 918822169 /nfs/dbraw/zinc/82/21/69/918822169.db2.gz SBKREOUIZRAIEX-GFCCVEGCSA-N 1 2 298.350 1.075 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)CCC)C1 ZINC001107822718 918834602 /nfs/dbraw/zinc/83/46/02/918834602.db2.gz CMVCPSJVYXGVOM-HOCLYGCPSA-N 1 2 280.412 1.653 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)CCC)C1 ZINC001107822718 918834609 /nfs/dbraw/zinc/83/46/09/918834609.db2.gz CMVCPSJVYXGVOM-HOCLYGCPSA-N 1 2 280.412 1.653 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)CC)C1 ZINC001107901572 919023159 /nfs/dbraw/zinc/02/31/59/919023159.db2.gz SHWPVTJBJRQZPD-HOCLYGCPSA-N 1 2 280.412 1.653 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)CC)C1 ZINC001107901572 919023170 /nfs/dbraw/zinc/02/31/70/919023170.db2.gz SHWPVTJBJRQZPD-HOCLYGCPSA-N 1 2 280.412 1.653 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(C)on2)C1=O ZINC001272773600 919228016 /nfs/dbraw/zinc/22/80/16/919228016.db2.gz XJFDOUOABHFIGO-HNNXBMFYSA-N 1 2 275.352 1.736 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(C)on2)C1=O ZINC001272773600 919228027 /nfs/dbraw/zinc/22/80/27/919228027.db2.gz XJFDOUOABHFIGO-HNNXBMFYSA-N 1 2 275.352 1.736 20 30 CDEDLO Cc1nc(C#N)c(Nc2ccc[nH+]c2N2CCOCC2)o1 ZINC001212354164 919246041 /nfs/dbraw/zinc/24/60/41/919246041.db2.gz GEZLVOMLKGEWJX-UHFFFAOYSA-N 1 2 285.307 1.830 20 30 CDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ncco1 ZINC001272803821 919328819 /nfs/dbraw/zinc/32/88/19/919328819.db2.gz WCHFKNLSAUWOEA-HNNXBMFYSA-N 1 2 275.352 1.818 20 30 CDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ncco1 ZINC001272803821 919328834 /nfs/dbraw/zinc/32/88/34/919328834.db2.gz WCHFKNLSAUWOEA-HNNXBMFYSA-N 1 2 275.352 1.818 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)[nH]c1C ZINC001032651672 919681575 /nfs/dbraw/zinc/68/15/75/919681575.db2.gz DVIZEOMYNFOCJR-STQMWFEESA-N 1 2 257.337 1.163 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)[nH]c1C ZINC001032651672 919681588 /nfs/dbraw/zinc/68/15/88/919681588.db2.gz DVIZEOMYNFOCJR-STQMWFEESA-N 1 2 257.337 1.163 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C2CCC2)C1 ZINC001078093343 920099597 /nfs/dbraw/zinc/09/95/97/920099597.db2.gz KRYHZIKSLLPYCG-IAGOWNOFSA-N 1 2 298.386 1.362 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C2CCC2)C1 ZINC001078093343 920099604 /nfs/dbraw/zinc/09/96/04/920099604.db2.gz KRYHZIKSLLPYCG-IAGOWNOFSA-N 1 2 298.386 1.362 20 30 CDEDLO Cc1ccc(C[NH+]2CC(N(C)C3COC3)C2)cc1C#N ZINC001139726465 936639905 /nfs/dbraw/zinc/63/99/05/936639905.db2.gz PPZSYNSSTLHZGF-UHFFFAOYSA-N 1 2 271.364 1.382 20 30 CDEDLO N#Cc1ccnc(N2CC[NH+](Cc3cccnn3)CC2)c1 ZINC001139971239 936662916 /nfs/dbraw/zinc/66/29/16/936662916.db2.gz VFDDLAWYDPCEHC-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO C=C(CC(C)C)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC001528641041 920948903 /nfs/dbraw/zinc/94/89/03/920948903.db2.gz AEIDJDZTIFXVII-AWEZNQCLSA-N 1 2 276.384 1.495 20 30 CDEDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)nc2)CCS1 ZINC001140546664 936723548 /nfs/dbraw/zinc/72/35/48/936723548.db2.gz PNZKZMOVVFCBJX-ZDUSSCGKSA-N 1 2 291.376 1.434 20 30 CDEDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)nc2)CCS1 ZINC001140546664 936723550 /nfs/dbraw/zinc/72/35/50/936723550.db2.gz PNZKZMOVVFCBJX-ZDUSSCGKSA-N 1 2 291.376 1.434 20 30 CDEDLO C=CCC1(S(=O)(=O)NCc2c[nH+]cn2C(C)C)CC1 ZINC001190836277 922239042 /nfs/dbraw/zinc/23/90/42/922239042.db2.gz NTLIIHPPCRILFS-UHFFFAOYSA-N 1 2 283.397 1.992 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C/C=C(/C)C=C)C1 ZINC001108138396 922725683 /nfs/dbraw/zinc/72/56/83/922725683.db2.gz MNRYBFQJKPPQGO-VFXTVZEFSA-N 1 2 278.396 1.902 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C/C=C(/C)C=C)C1 ZINC001108138396 922725692 /nfs/dbraw/zinc/72/56/92/922725692.db2.gz MNRYBFQJKPPQGO-VFXTVZEFSA-N 1 2 278.396 1.902 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001099046435 936776707 /nfs/dbraw/zinc/77/67/07/936776707.db2.gz NRRWDVZQFITGKG-XHDPSFHLSA-N 1 2 292.383 1.419 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@H+](Cc3csnn3)C2)C1=O ZINC001140995386 936788803 /nfs/dbraw/zinc/78/88/03/936788803.db2.gz PWLKEIRQGHLRJO-AWEZNQCLSA-N 1 2 292.408 1.539 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@@H+](Cc3csnn3)C2)C1=O ZINC001140995386 936788804 /nfs/dbraw/zinc/78/88/04/936788804.db2.gz PWLKEIRQGHLRJO-AWEZNQCLSA-N 1 2 292.408 1.539 20 30 CDEDLO Cc1ccncc1C[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001141036369 936796503 /nfs/dbraw/zinc/79/65/03/936796503.db2.gz XZBUFIWATNGKBL-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cscn2)C1 ZINC001035314388 922961845 /nfs/dbraw/zinc/96/18/45/922961845.db2.gz WGGBKKVNUZLOQP-LLVKDONJSA-N 1 2 281.381 1.150 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cscn2)C1 ZINC001035314388 922961857 /nfs/dbraw/zinc/96/18/57/922961857.db2.gz WGGBKKVNUZLOQP-LLVKDONJSA-N 1 2 281.381 1.150 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC001035373642 922978503 /nfs/dbraw/zinc/97/85/03/922978503.db2.gz ULQKJWWCBKBEJR-ILXRZTDVSA-N 1 2 296.411 1.051 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC001035373642 922978512 /nfs/dbraw/zinc/97/85/12/922978512.db2.gz ULQKJWWCBKBEJR-ILXRZTDVSA-N 1 2 296.411 1.051 20 30 CDEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2ccon2)C1 ZINC001194397253 924203233 /nfs/dbraw/zinc/20/32/33/924203233.db2.gz RKACOBZIVZROER-OCCSQVGLSA-N 1 2 293.367 1.298 20 30 CDEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccon2)C1 ZINC001194397253 924203243 /nfs/dbraw/zinc/20/32/43/924203243.db2.gz RKACOBZIVZROER-OCCSQVGLSA-N 1 2 293.367 1.298 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001079670826 924398185 /nfs/dbraw/zinc/39/81/85/924398185.db2.gz IPIBMIPZYUNNEZ-PSASIEDQSA-N 1 2 268.748 1.212 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001079670826 924398192 /nfs/dbraw/zinc/39/81/92/924398192.db2.gz IPIBMIPZYUNNEZ-PSASIEDQSA-N 1 2 268.748 1.212 20 30 CDEDLO Cc1cc(C#N)cc(C(=O)NCC2([NH+]3CCCC3)COC2)c1 ZINC001195429083 924610243 /nfs/dbraw/zinc/61/02/43/924610243.db2.gz FWHPSIILTCKJFW-UHFFFAOYSA-N 1 2 299.374 1.461 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H]1O ZINC001195732864 924694151 /nfs/dbraw/zinc/69/41/51/924694151.db2.gz NFKACJPGUYXIDV-ZIAGYGMSSA-N 1 2 293.367 1.001 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H]1O ZINC001195732864 924694152 /nfs/dbraw/zinc/69/41/52/924694152.db2.gz NFKACJPGUYXIDV-ZIAGYGMSSA-N 1 2 293.367 1.001 20 30 CDEDLO C=CC[C@H]([NH2+]C[C@@H](OC)[C@@H]1CCOC1)C(=O)OCC ZINC001119245044 925034594 /nfs/dbraw/zinc/03/45/94/925034594.db2.gz MHWRYBGKIXWTFT-FRRDWIJNSA-N 1 2 271.357 1.135 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2occc2CC)C1 ZINC001108193153 925037280 /nfs/dbraw/zinc/03/72/80/925037280.db2.gz ZXZHXHDITVTTGX-INIZCTEOSA-N 1 2 292.379 1.849 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2occc2CC)C1 ZINC001108193153 925037291 /nfs/dbraw/zinc/03/72/91/925037291.db2.gz ZXZHXHDITVTTGX-INIZCTEOSA-N 1 2 292.379 1.849 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C2CCC2)[C@@H](O)C1 ZINC001084006596 925129561 /nfs/dbraw/zinc/12/95/61/925129561.db2.gz KRYHZIKSLLPYCG-SJORKVTESA-N 1 2 298.386 1.362 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2C2CCC2)[C@@H](O)C1 ZINC001084006596 925129567 /nfs/dbraw/zinc/12/95/67/925129567.db2.gz KRYHZIKSLLPYCG-SJORKVTESA-N 1 2 298.386 1.362 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(CC)[nH]n3)[C@@H]2C1 ZINC001084201775 925182433 /nfs/dbraw/zinc/18/24/33/925182433.db2.gz VYZFHSZDTZTGQE-IUODEOHRSA-N 1 2 286.379 1.142 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(CC)[nH]n3)[C@@H]2C1 ZINC001084201775 925182439 /nfs/dbraw/zinc/18/24/39/925182439.db2.gz VYZFHSZDTZTGQE-IUODEOHRSA-N 1 2 286.379 1.142 20 30 CDEDLO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3noc(C)n3)C2)C1=O ZINC001273770785 925510032 /nfs/dbraw/zinc/51/00/32/925510032.db2.gz SCMQGCFCNCPFDT-OAHLLOKOSA-N 1 2 290.367 1.379 20 30 CDEDLO C=C(C)CN1CC[C@@]2(CC[N@@H+](Cc3noc(C)n3)C2)C1=O ZINC001273770785 925510039 /nfs/dbraw/zinc/51/00/39/925510039.db2.gz SCMQGCFCNCPFDT-OAHLLOKOSA-N 1 2 290.367 1.379 20 30 CDEDLO CCC[C@@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001231313127 925700747 /nfs/dbraw/zinc/70/07/47/925700747.db2.gz VZEDTAQRDCHHBO-HUUCEWRRSA-N 1 2 280.412 1.605 20 30 CDEDLO CCC[C@@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001231313127 925700751 /nfs/dbraw/zinc/70/07/51/925700751.db2.gz VZEDTAQRDCHHBO-HUUCEWRRSA-N 1 2 280.412 1.605 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)C(F)F)C1 ZINC001108201496 925787846 /nfs/dbraw/zinc/78/78/46/925787846.db2.gz MQNBDIRZKJHPDU-CQSZACIVSA-N 1 2 290.354 1.671 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)C(F)F)C1 ZINC001108201496 925787851 /nfs/dbraw/zinc/78/78/51/925787851.db2.gz MQNBDIRZKJHPDU-CQSZACIVSA-N 1 2 290.354 1.671 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCF)[C@@H](O)C1 ZINC001099952542 925816649 /nfs/dbraw/zinc/81/66/49/925816649.db2.gz VBQXNXPJVNEBRU-MNOVXSKESA-N 1 2 278.755 1.040 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCF)[C@@H](O)C1 ZINC001099952542 925816656 /nfs/dbraw/zinc/81/66/56/925816656.db2.gz VBQXNXPJVNEBRU-MNOVXSKESA-N 1 2 278.755 1.040 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCF)[C@@H](O)C1 ZINC001099952543 925817682 /nfs/dbraw/zinc/81/76/82/925817682.db2.gz VBQXNXPJVNEBRU-QWRGUYRKSA-N 1 2 278.755 1.040 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCF)[C@@H](O)C1 ZINC001099952543 925817691 /nfs/dbraw/zinc/81/76/91/925817691.db2.gz VBQXNXPJVNEBRU-QWRGUYRKSA-N 1 2 278.755 1.040 20 30 CDEDLO CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N ZINC001085445963 925975757 /nfs/dbraw/zinc/97/57/57/925975757.db2.gz SLVPEQPDEOFQBV-HNNXBMFYSA-N 1 2 257.337 1.611 20 30 CDEDLO CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccc1C#N ZINC001085445963 925975762 /nfs/dbraw/zinc/97/57/62/925975762.db2.gz SLVPEQPDEOFQBV-HNNXBMFYSA-N 1 2 257.337 1.611 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)[nH]nc1Cl ZINC001085635566 926234629 /nfs/dbraw/zinc/23/46/29/926234629.db2.gz UCUAVGQICMIHKF-NSHDSACASA-N 1 2 294.786 1.541 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)[nH]nc1Cl ZINC001085635566 926234634 /nfs/dbraw/zinc/23/46/34/926234634.db2.gz UCUAVGQICMIHKF-NSHDSACASA-N 1 2 294.786 1.541 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cncc(COC)c1 ZINC001085647475 926255133 /nfs/dbraw/zinc/25/51/33/926255133.db2.gz LVUKBCDUAWQFNB-HNNXBMFYSA-N 1 2 287.363 1.008 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cncc(COC)c1 ZINC001085647475 926255140 /nfs/dbraw/zinc/25/51/40/926255140.db2.gz LVUKBCDUAWQFNB-HNNXBMFYSA-N 1 2 287.363 1.008 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1n[nH]c2c1CCC2 ZINC001085691488 926292348 /nfs/dbraw/zinc/29/23/48/926292348.db2.gz IADKKZHEMWIVJV-LBPRGKRZSA-N 1 2 286.379 1.068 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1n[nH]c2c1CCC2 ZINC001085691488 926292358 /nfs/dbraw/zinc/29/23/58/926292358.db2.gz IADKKZHEMWIVJV-LBPRGKRZSA-N 1 2 286.379 1.068 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn2ccc(C)cc2n1 ZINC001085704137 926305165 /nfs/dbraw/zinc/30/51/65/926305165.db2.gz IHTBPFDAPNQWAY-CQSZACIVSA-N 1 2 296.374 1.422 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn2ccc(C)cc2n1 ZINC001085704137 926305175 /nfs/dbraw/zinc/30/51/75/926305175.db2.gz IHTBPFDAPNQWAY-CQSZACIVSA-N 1 2 296.374 1.422 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(COC)o1 ZINC001085711433 926319690 /nfs/dbraw/zinc/31/96/90/926319690.db2.gz IJWZPZXCAHXZFH-GFCCVEGCSA-N 1 2 276.336 1.206 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(COC)o1 ZINC001085711433 926319697 /nfs/dbraw/zinc/31/96/97/926319697.db2.gz IJWZPZXCAHXZFH-GFCCVEGCSA-N 1 2 276.336 1.206 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(C)nc1C ZINC001085879457 926476678 /nfs/dbraw/zinc/47/66/78/926476678.db2.gz NJNGSMIXOVJTGO-CQSZACIVSA-N 1 2 286.379 1.263 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(C)nc1C ZINC001085879457 926476684 /nfs/dbraw/zinc/47/66/84/926476684.db2.gz NJNGSMIXOVJTGO-CQSZACIVSA-N 1 2 286.379 1.263 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCC2(C)CC2)C1 ZINC001108320411 927377568 /nfs/dbraw/zinc/37/75/68/927377568.db2.gz FNFAKKSVZIQWMO-KRWDZBQOSA-N 1 2 292.423 1.797 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CCC2(C)CC2)C1 ZINC001108320411 927377581 /nfs/dbraw/zinc/37/75/81/927377581.db2.gz FNFAKKSVZIQWMO-KRWDZBQOSA-N 1 2 292.423 1.797 20 30 CDEDLO Cc1cc(C(F)(F)N2CC[NH2+]C[C@@H]2C#N)c(Cl)nn1 ZINC001156327527 928076270 /nfs/dbraw/zinc/07/62/70/928076270.db2.gz CZCPBWVWKRJJOH-QMMMGPOBSA-N 1 2 287.701 1.285 20 30 CDEDLO C=CCOC[C@H](O)C[N@@H+](CC)CC(=O)OC(C)(C)C ZINC001252471552 928520215 /nfs/dbraw/zinc/52/02/15/928520215.db2.gz YIBCJKIGBQMEIH-GFCCVEGCSA-N 1 2 273.373 1.214 20 30 CDEDLO C=CCOC[C@H](O)C[N@H+](CC)CC(=O)OC(C)(C)C ZINC001252471552 928520222 /nfs/dbraw/zinc/52/02/22/928520222.db2.gz YIBCJKIGBQMEIH-GFCCVEGCSA-N 1 2 273.373 1.214 20 30 CDEDLO Cc1nc(N(C)C[C@H](C)NC(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001108897350 928711453 /nfs/dbraw/zinc/71/14/53/928711453.db2.gz QROWOBNZMUVIKH-JTQLQIEISA-N 1 2 298.350 1.240 20 30 CDEDLO C=CCCC(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001112687815 929327102 /nfs/dbraw/zinc/32/71/02/929327102.db2.gz UEVKDIMXYPBPLD-UHFFFAOYSA-N 1 2 262.357 1.031 20 30 CDEDLO C=CCn1cc(C(=O)Nc2cc(N(C)C)cc[nH+]2)nn1 ZINC001152319873 937353555 /nfs/dbraw/zinc/35/35/55/937353555.db2.gz MNCGBJVEAJOZOT-UHFFFAOYSA-N 1 2 272.312 1.177 20 30 CDEDLO Cc1nc(N[C@@H](C)CN(C)C(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001115682199 937411795 /nfs/dbraw/zinc/41/17/95/937411795.db2.gz IVUQQPPREKRFIS-JTQLQIEISA-N 1 2 298.350 1.557 20 30 CDEDLO C=CCCOCC(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001153081514 937418286 /nfs/dbraw/zinc/41/82/86/937418286.db2.gz RYLDELFARCRFOR-UHFFFAOYSA-N 1 2 293.367 1.351 20 30 CDEDLO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136036877 930615168 /nfs/dbraw/zinc/61/51/68/930615168.db2.gz ZMOKDDRQNCZXKV-NEPJUHHUSA-N 1 2 276.384 1.157 20 30 CDEDLO C[N@H+](CC(=O)NCCC#N)Cc1cc(F)cc(F)c1 ZINC001116792634 937472426 /nfs/dbraw/zinc/47/24/26/937472426.db2.gz VHPBVZFKPJDICM-UHFFFAOYSA-N 1 2 267.279 1.426 20 30 CDEDLO C[N@@H+](CC(=O)NCCC#N)Cc1cc(F)cc(F)c1 ZINC001116792634 937472427 /nfs/dbraw/zinc/47/24/27/937472427.db2.gz VHPBVZFKPJDICM-UHFFFAOYSA-N 1 2 267.279 1.426 20 30 CDEDLO N#CCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C1CCCC1 ZINC001274031444 931131253 /nfs/dbraw/zinc/13/12/53/931131253.db2.gz QQWJRUYSJUNMFL-ZIAGYGMSSA-N 1 2 261.369 1.908 20 30 CDEDLO N#CCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C1CCCC1 ZINC001274031444 931131257 /nfs/dbraw/zinc/13/12/57/931131257.db2.gz QQWJRUYSJUNMFL-ZIAGYGMSSA-N 1 2 261.369 1.908 20 30 CDEDLO C=CCN1C[C@@]2(F)C[N@@H+](CCCCC#N)C[C@@]2(F)C1=O ZINC001274040306 931138852 /nfs/dbraw/zinc/13/88/52/931138852.db2.gz KCIPUIMLLGOSJF-UONOGXRCSA-N 1 2 283.322 1.441 20 30 CDEDLO C=CCN1C[C@@]2(F)C[N@H+](CCCCC#N)C[C@@]2(F)C1=O ZINC001274040306 931138855 /nfs/dbraw/zinc/13/88/55/931138855.db2.gz KCIPUIMLLGOSJF-UONOGXRCSA-N 1 2 283.322 1.441 20 30 CDEDLO N#Cc1ccc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)CCO2)cc1 ZINC000887728952 931213700 /nfs/dbraw/zinc/21/37/00/931213700.db2.gz DNFILMXEUPFPRZ-HNNXBMFYSA-N 1 2 296.330 1.355 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1nc(C)co1 ZINC001274372116 931495345 /nfs/dbraw/zinc/49/53/45/931495345.db2.gz JULKPLHPXLNPLS-MRXNPFEDSA-N 1 2 287.363 1.573 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1nc(C)co1 ZINC001274372116 931495349 /nfs/dbraw/zinc/49/53/49/931495349.db2.gz JULKPLHPXLNPLS-MRXNPFEDSA-N 1 2 287.363 1.573 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)cn1 ZINC001137033054 931504689 /nfs/dbraw/zinc/50/46/89/931504689.db2.gz NNEYDRSGXCAQPA-LBPRGKRZSA-N 1 2 276.361 1.864 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cn1 ZINC001137033054 931504691 /nfs/dbraw/zinc/50/46/91/931504691.db2.gz NNEYDRSGXCAQPA-LBPRGKRZSA-N 1 2 276.361 1.864 20 30 CDEDLO C=CC[C@@H](C)C(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001144018573 931627824 /nfs/dbraw/zinc/62/78/24/931627824.db2.gz RWPMIGVYDHHPLG-OAHLLOKOSA-N 1 2 287.407 1.981 20 30 CDEDLO C=C(Cl)C[NH2+]C1CC(CNC(=O)c2[nH]nc(C)c2C)C1 ZINC001090962233 931633062 /nfs/dbraw/zinc/63/30/62/931633062.db2.gz LHABKIRXKJZGFD-UHFFFAOYSA-N 1 2 296.802 1.877 20 30 CDEDLO Cc1noc(NC(=O)c2cccc3[nH+]ccn32)c1C#N ZINC001154518342 937552392 /nfs/dbraw/zinc/55/23/92/937552392.db2.gz YAPWHLVILVPEOG-UHFFFAOYSA-N 1 2 267.248 1.755 20 30 CDEDLO NC(=NC(=O)c1cccc2[nH+]ccn21)c1nccs1 ZINC001154525912 937553712 /nfs/dbraw/zinc/55/37/12/937553712.db2.gz DVUHTISUWQSZKN-UHFFFAOYSA-N 1 2 271.305 1.337 20 30 CDEDLO N#Cc1ccc(F)c(C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC001412200795 932322249 /nfs/dbraw/zinc/32/22/49/932322249.db2.gz FYYWPTZSVHRKGF-UHFFFAOYSA-N 1 2 270.267 1.550 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2[nH]nc3cc(O)ccc32)CC1 ZINC001155265562 937656133 /nfs/dbraw/zinc/65/61/33/937656133.db2.gz VTSGGQHFNWIYLA-UHFFFAOYSA-N 1 2 286.335 1.212 20 30 CDEDLO C=CCCC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001119048987 937691125 /nfs/dbraw/zinc/69/11/25/937691125.db2.gz FGJYGILHANHEQO-UHFFFAOYSA-N 1 2 265.401 1.191 20 30 CDEDLO C#CCOc1cccc(Cl)c1C[N@@H+](CCO)CCOC ZINC000779158277 934427391 /nfs/dbraw/zinc/42/73/91/934427391.db2.gz OYUMCIUZOIZMNB-UHFFFAOYSA-N 1 2 297.782 1.793 20 30 CDEDLO C#CCOc1cccc(Cl)c1C[N@H+](CCO)CCOC ZINC000779158277 934427400 /nfs/dbraw/zinc/42/74/00/934427400.db2.gz OYUMCIUZOIZMNB-UHFFFAOYSA-N 1 2 297.782 1.793 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2ncoc2C(F)(F)F)C1 ZINC001015003193 935555162 /nfs/dbraw/zinc/55/51/62/935555162.db2.gz GOYHAQBSRXIOOW-MRVPVSSYSA-N 1 2 287.241 1.131 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ncoc2C(F)(F)F)C1 ZINC001015003193 935555165 /nfs/dbraw/zinc/55/51/65/935555165.db2.gz GOYHAQBSRXIOOW-MRVPVSSYSA-N 1 2 287.241 1.131 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccnc1C ZINC001038648603 935751912 /nfs/dbraw/zinc/75/19/12/935751912.db2.gz UWFUWHFZTXUNIY-CYBMUJFWSA-N 1 2 257.337 1.217 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccnc1C ZINC001038648603 935751913 /nfs/dbraw/zinc/75/19/13/935751913.db2.gz UWFUWHFZTXUNIY-CYBMUJFWSA-N 1 2 257.337 1.217 20 30 CDEDLO C[C@]1(O)COCC[N@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238189854 945125976 /nfs/dbraw/zinc/12/59/76/945125976.db2.gz XWACDKFENABSRJ-CQSZACIVSA-N 1 2 280.755 1.795 20 30 CDEDLO C[C@]1(O)COCC[N@@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238189854 945125980 /nfs/dbraw/zinc/12/59/80/945125980.db2.gz XWACDKFENABSRJ-CQSZACIVSA-N 1 2 280.755 1.795 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nccs1)C2 ZINC001096227436 936013100 /nfs/dbraw/zinc/01/31/00/936013100.db2.gz ZGSRMGZBKAYOIN-VWYCJHECSA-N 1 2 261.350 1.111 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nccs1)C2 ZINC001096227436 936013103 /nfs/dbraw/zinc/01/31/03/936013103.db2.gz ZGSRMGZBKAYOIN-VWYCJHECSA-N 1 2 261.350 1.111 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sc(C)nc1C)C2 ZINC001096506275 936128856 /nfs/dbraw/zinc/12/88/56/936128856.db2.gz GIOPDSBJKDNGLN-AGIUHOORSA-N 1 2 289.404 1.728 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sc(C)nc1C)C2 ZINC001096506275 936128858 /nfs/dbraw/zinc/12/88/58/936128858.db2.gz GIOPDSBJKDNGLN-AGIUHOORSA-N 1 2 289.404 1.728 20 30 CDEDLO Cc1cc(N[C@H]2C[C@H](NC(=O)[C@@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001097002921 936253092 /nfs/dbraw/zinc/25/30/92/936253092.db2.gz FNGZHBWGWAYUPE-XDTLVQLUSA-N 1 2 299.378 1.881 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CC=CCC3)n2CC)CC1 ZINC001121703992 937880933 /nfs/dbraw/zinc/88/09/33/937880933.db2.gz JNAAJUWVEYWUCT-HNNXBMFYSA-N 1 2 299.422 1.877 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc3cncnc32)CC1 ZINC001156612041 938394178 /nfs/dbraw/zinc/39/41/78/938394178.db2.gz GQBOQCSSHGTUHW-UHFFFAOYSA-N 1 2 282.347 1.574 20 30 CDEDLO CCOC(=O)CN(CCC#N)c1[nH+]ccc2c1ccn2C ZINC001157159969 938461184 /nfs/dbraw/zinc/46/11/84/938461184.db2.gz WVCLRQOQCOMPMK-UHFFFAOYSA-N 1 2 286.335 1.856 20 30 CDEDLO N#Cc1nc(N[C@@H]2CCC[N@@H+](C3COC3)C2)ccc1Cl ZINC001157580951 938515229 /nfs/dbraw/zinc/51/52/29/938515229.db2.gz QILAWMQDMAUFNX-SNVBAGLBSA-N 1 2 292.770 1.882 20 30 CDEDLO N#Cc1nc(N[C@@H]2CCC[N@H+](C3COC3)C2)ccc1Cl ZINC001157580951 938515230 /nfs/dbraw/zinc/51/52/30/938515230.db2.gz QILAWMQDMAUFNX-SNVBAGLBSA-N 1 2 292.770 1.882 20 30 CDEDLO CN(CC#N)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158050385 938579161 /nfs/dbraw/zinc/57/91/61/938579161.db2.gz QKDDBMQHWQFEFQ-CQSZACIVSA-N 1 2 289.383 1.179 20 30 CDEDLO CN(CC#N)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158050385 938579163 /nfs/dbraw/zinc/57/91/63/938579163.db2.gz QKDDBMQHWQFEFQ-CQSZACIVSA-N 1 2 289.383 1.179 20 30 CDEDLO COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1cc(C#N)cc(C)n1 ZINC001160701768 938816369 /nfs/dbraw/zinc/81/63/69/938816369.db2.gz ZKLXBPLORULLKY-ZDUSSCGKSA-N 1 2 299.334 1.191 20 30 CDEDLO N#CCc1ccc[nH+]c1NCCN1CCCCC1=O ZINC001161935678 938944758 /nfs/dbraw/zinc/94/47/58/938944758.db2.gz LDPLNIDAPDKGJF-UHFFFAOYSA-N 1 2 258.325 1.572 20 30 CDEDLO CCOC(=O)[C@H]([NH3+])CNc1ncc2c(c1C#N)CCCC2 ZINC001161951138 938947829 /nfs/dbraw/zinc/94/78/29/938947829.db2.gz ZOZXRNUWSDBMCB-CYBMUJFWSA-N 1 2 288.351 1.134 20 30 CDEDLO CCc1cc(C[NH+]2CCN(C(N)=O)CC2)ccc1C#N ZINC001238774859 945243548 /nfs/dbraw/zinc/24/35/48/945243548.db2.gz MOBNDZQGRWALLH-UHFFFAOYSA-N 1 2 272.352 1.317 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001164213800 939431153 /nfs/dbraw/zinc/43/11/53/939431153.db2.gz NJBMMPMXTAMNON-NWDGAFQWSA-N 1 2 294.399 1.686 20 30 CDEDLO COc1cc2cnc(N3CC[NH2+]C[C@H]3C#N)cc2cc1OC ZINC001164662279 939502662 /nfs/dbraw/zinc/50/26/62/939502662.db2.gz URNJNUFBEGVEPW-CYBMUJFWSA-N 1 2 298.346 1.554 20 30 CDEDLO N#Cc1cc(N2CC[NH2+]C[C@H]2C#N)nc2ccccc12 ZINC001164660472 939503073 /nfs/dbraw/zinc/50/30/73/939503073.db2.gz DLNYPSOZJMRHER-GFCCVEGCSA-N 1 2 263.304 1.408 20 30 CDEDLO C=CCOc1ccc(C[NH+]2CC(N(C)C(C)=O)C2)cc1 ZINC001204299854 939754065 /nfs/dbraw/zinc/75/40/65/939754065.db2.gz CFWBFRXYLDIVEG-UHFFFAOYSA-N 1 2 274.364 1.914 20 30 CDEDLO N#Cc1ccc(F)c(-c2noc([C@@]3([NH3+])CCOC3)n2)c1 ZINC001205219011 939836757 /nfs/dbraw/zinc/83/67/57/939836757.db2.gz LJRKNRMSMDOEJU-CYBMUJFWSA-N 1 2 274.255 1.322 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2nccn2CC)C[C@H]1C ZINC001206489915 940049376 /nfs/dbraw/zinc/04/93/76/940049376.db2.gz BWRFEKKOGBLOCG-ZIAGYGMSSA-N 1 2 290.411 1.806 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2nccn2CC)C[C@H]1C ZINC001206489915 940049381 /nfs/dbraw/zinc/04/93/81/940049381.db2.gz BWRFEKKOGBLOCG-ZIAGYGMSSA-N 1 2 290.411 1.806 20 30 CDEDLO COc1cc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)ccn1 ZINC001209636422 940621634 /nfs/dbraw/zinc/62/16/34/940621634.db2.gz HDUZGCYBQMQBRH-LBPRGKRZSA-N 1 2 276.361 1.864 20 30 CDEDLO COc1cc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)ccn1 ZINC001209636422 940621635 /nfs/dbraw/zinc/62/16/35/940621635.db2.gz HDUZGCYBQMQBRH-LBPRGKRZSA-N 1 2 276.361 1.864 20 30 CDEDLO N#Cc1ncn(-c2ccc(-c3[nH]cc[nH+]3)cc2)c1N ZINC001213085979 940759496 /nfs/dbraw/zinc/75/94/96/940759496.db2.gz BIHKTSJGXFQUAD-UHFFFAOYSA-N 1 2 250.265 1.716 20 30 CDEDLO C=CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001214301408 940813637 /nfs/dbraw/zinc/81/36/37/940813637.db2.gz BJFIGWUBIRRCDL-ZYHUDNBSSA-N 1 2 278.356 1.281 20 30 CDEDLO C=C1CC[NH2+]C[C@H]1Oc1[nH]c(=O)nc2ccc(F)cc21 ZINC001218203339 941044197 /nfs/dbraw/zinc/04/41/97/941044197.db2.gz DXIWQPBODZEAAB-GFCCVEGCSA-N 1 2 275.283 1.771 20 30 CDEDLO C=C1CC[NH2+]C[C@H]1Oc1[nH]c(=O)nc2cc(C)ccc21 ZINC001218208969 941044204 /nfs/dbraw/zinc/04/42/04/941044204.db2.gz RZBVLYLTIKEDRH-CYBMUJFWSA-N 1 2 271.320 1.941 20 30 CDEDLO CCc1cc(C)c(C#N)c(O[C@H]2C[NH2+]CC2(F)F)n1 ZINC001218240818 941048658 /nfs/dbraw/zinc/04/86/58/941048658.db2.gz VOSLWWXZXAGSQF-NSHDSACASA-N 1 2 267.279 1.810 20 30 CDEDLO N#Cc1oc2ccccc2c1NC(=O)[C@@H]1COC[NH2+]1 ZINC001218628814 941247864 /nfs/dbraw/zinc/24/78/64/941247864.db2.gz SAANQZXDIUOIGA-VIFPVBQESA-N 1 2 257.249 1.189 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001220203507 941423854 /nfs/dbraw/zinc/42/38/54/941423854.db2.gz IHUBJVNMDSIDPB-VTYAVTIVSA-N 1 2 286.803 1.503 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001220203507 941423855 /nfs/dbraw/zinc/42/38/55/941423855.db2.gz IHUBJVNMDSIDPB-VTYAVTIVSA-N 1 2 286.803 1.503 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@@H]1O ZINC001220246123 941427337 /nfs/dbraw/zinc/42/73/37/941427337.db2.gz NFKACJPGUYXIDV-KGLIPLIRSA-N 1 2 293.367 1.001 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@@H]1O ZINC001220246123 941427339 /nfs/dbraw/zinc/42/73/39/941427339.db2.gz NFKACJPGUYXIDV-KGLIPLIRSA-N 1 2 293.367 1.001 20 30 CDEDLO C=CCN1CCC[C@H]1CNC(=O)c1cnc([C@H](C)[NH3+])s1 ZINC001220868686 941478492 /nfs/dbraw/zinc/47/84/92/941478492.db2.gz OZOFJOIYWQOOMW-QWRGUYRKSA-N 1 2 294.424 1.543 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CCC)CC(C)C)[C@@H](O)C1 ZINC001221126727 941498091 /nfs/dbraw/zinc/49/80/91/941498091.db2.gz VWOUSNUAXDSUFE-ZNMIVQPWSA-N 1 2 280.412 1.243 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CCC)CC(C)C)[C@@H](O)C1 ZINC001221126727 941498093 /nfs/dbraw/zinc/49/80/93/941498093.db2.gz VWOUSNUAXDSUFE-ZNMIVQPWSA-N 1 2 280.412 1.243 20 30 CDEDLO Cc1c(C#N)ccc(OC[C@@H]2C[N@H+](C)CCO2)c1C ZINC001225513711 941870983 /nfs/dbraw/zinc/87/09/83/941870983.db2.gz RTLZMYQLEJSCFD-AWEZNQCLSA-N 1 2 260.337 1.885 20 30 CDEDLO Cc1c(C#N)ccc(OC[C@@H]2C[N@@H+](C)CCO2)c1C ZINC001225513711 941870986 /nfs/dbraw/zinc/87/09/86/941870986.db2.gz RTLZMYQLEJSCFD-AWEZNQCLSA-N 1 2 260.337 1.885 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncnc4ncccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226604857 942034949 /nfs/dbraw/zinc/03/49/49/942034949.db2.gz VMLLXJOGXRKFOB-DERRMCRCSA-N 1 2 284.319 1.016 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncnc4ncccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226604857 942034952 /nfs/dbraw/zinc/03/49/52/942034952.db2.gz VMLLXJOGXRKFOB-DERRMCRCSA-N 1 2 284.319 1.016 20 30 CDEDLO O=C(C#CC1CC1)NC1CC[NH+](Cc2cscn2)CC1 ZINC001227272729 942161929 /nfs/dbraw/zinc/16/19/29/942161929.db2.gz LEBYWBXPMZKMEQ-UHFFFAOYSA-N 1 2 289.404 1.637 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(F)c(C#N)c(F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228222915 942282718 /nfs/dbraw/zinc/28/27/18/942282718.db2.gz GOISORZLBOIJQH-ZJJIKIGVSA-N 1 2 292.285 1.828 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(F)c(C#N)c(F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228222915 942282721 /nfs/dbraw/zinc/28/27/21/942282721.db2.gz GOISORZLBOIJQH-ZJJIKIGVSA-N 1 2 292.285 1.828 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cnncc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228941711 942398544 /nfs/dbraw/zinc/39/85/44/942398544.db2.gz QHLPMNLHKKDARL-MOGLMSHVSA-N 1 2 267.716 1.121 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cnncc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228941711 942398552 /nfs/dbraw/zinc/39/85/52/942398552.db2.gz QHLPMNLHKKDARL-MOGLMSHVSA-N 1 2 267.716 1.121 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(F)CCCC1 ZINC001316600088 942410919 /nfs/dbraw/zinc/41/09/19/942410919.db2.gz ZGCHSIJJDQMGAC-GFCCVEGCSA-N 1 2 252.333 1.435 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(F)CCCC1 ZINC001316600088 942410921 /nfs/dbraw/zinc/41/09/21/942410921.db2.gz ZGCHSIJJDQMGAC-GFCCVEGCSA-N 1 2 252.333 1.435 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2c[nH]ccc2=O)C1 ZINC001229511827 942484555 /nfs/dbraw/zinc/48/45/55/942484555.db2.gz GSSVLXZWPJXPRT-HNNXBMFYSA-N 1 2 295.342 1.900 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2c[nH]ccc2=O)C1 ZINC001229511827 942484559 /nfs/dbraw/zinc/48/45/59/942484559.db2.gz GSSVLXZWPJXPRT-HNNXBMFYSA-N 1 2 295.342 1.900 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Oc1ccc([N+](=O)[O-])c(C#N)c1 ZINC001229526228 942488532 /nfs/dbraw/zinc/48/85/32/942488532.db2.gz WGXLZIFCJSDIMM-LLVKDONJSA-N 1 2 291.307 1.566 20 30 CDEDLO CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230519727 942629175 /nfs/dbraw/zinc/62/91/75/942629175.db2.gz WIEFXASUWDLHOS-ZFWWWQNUSA-N 1 2 293.411 1.638 20 30 CDEDLO CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001230519727 942629182 /nfs/dbraw/zinc/62/91/82/942629182.db2.gz WIEFXASUWDLHOS-ZFWWWQNUSA-N 1 2 293.411 1.638 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)SC ZINC001230850043 942713676 /nfs/dbraw/zinc/71/36/76/942713676.db2.gz WQXIKEDPDASVEI-RYUDHWBXSA-N 1 2 254.399 1.294 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)SC ZINC001230850043 942713678 /nfs/dbraw/zinc/71/36/78/942713678.db2.gz WQXIKEDPDASVEI-RYUDHWBXSA-N 1 2 254.399 1.294 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccccn1 ZINC001231246150 942831426 /nfs/dbraw/zinc/83/14/26/942831426.db2.gz DHJVSNBWXIXXFC-GXTWGEPZSA-N 1 2 272.352 1.274 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccccn1 ZINC001231246150 942831432 /nfs/dbraw/zinc/83/14/32/942831432.db2.gz DHJVSNBWXIXXFC-GXTWGEPZSA-N 1 2 272.352 1.274 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c[nH]c3cccc(OC)c23)CC1 ZINC001232036133 943111065 /nfs/dbraw/zinc/11/10/65/943111065.db2.gz AGSQOVZXKMZTQP-UHFFFAOYSA-N 1 2 283.375 1.927 20 30 CDEDLO N#Cc1ccnc(C[NH+]2CCN(c3cccnc3)CC2)c1 ZINC001232477096 943291891 /nfs/dbraw/zinc/29/18/91/943291891.db2.gz ISKLHABHGWSDNT-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232681518 943362486 /nfs/dbraw/zinc/36/24/86/943362486.db2.gz PLDUKCOYLGZFBX-ZDUSSCGKSA-N 1 2 273.336 1.364 20 30 CDEDLO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232681518 943362491 /nfs/dbraw/zinc/36/24/91/943362491.db2.gz PLDUKCOYLGZFBX-ZDUSSCGKSA-N 1 2 273.336 1.364 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)n1 ZINC001232927317 943437127 /nfs/dbraw/zinc/43/71/27/943437127.db2.gz ZAZVSXBZLYCECK-MRXNPFEDSA-N 1 2 298.390 1.834 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)n1 ZINC001232927317 943437130 /nfs/dbraw/zinc/43/71/30/943437130.db2.gz ZAZVSXBZLYCECK-MRXNPFEDSA-N 1 2 298.390 1.834 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1O ZINC001233383730 943570004 /nfs/dbraw/zinc/57/00/04/943570004.db2.gz UDFVWHMIWORBON-LBPRGKRZSA-N 1 2 260.293 1.401 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1O ZINC001233383730 943570008 /nfs/dbraw/zinc/57/00/08/943570008.db2.gz UDFVWHMIWORBON-LBPRGKRZSA-N 1 2 260.293 1.401 20 30 CDEDLO C=C1CCN(c2nnc(Cc3[nH+]ccn3C)n2CC)CC1 ZINC001263013217 943722868 /nfs/dbraw/zinc/72/28/68/943722868.db2.gz MHRPPEKHIKEPGK-UHFFFAOYSA-N 1 2 286.383 1.779 20 30 CDEDLO C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1C/C=C/Cl ZINC001234265937 943787567 /nfs/dbraw/zinc/78/75/67/943787567.db2.gz MZYVKYNEUIGEPV-JOVKLMRISA-N 1 2 284.787 1.310 20 30 CDEDLO C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1C/C=C/Cl ZINC001234265937 943787572 /nfs/dbraw/zinc/78/75/72/943787572.db2.gz MZYVKYNEUIGEPV-JOVKLMRISA-N 1 2 284.787 1.310 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001234536784 943881884 /nfs/dbraw/zinc/88/18/84/943881884.db2.gz HBQRBZCMHAPGPU-OLZOCXBDSA-N 1 2 293.411 1.010 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001234536784 943881888 /nfs/dbraw/zinc/88/18/88/943881888.db2.gz HBQRBZCMHAPGPU-OLZOCXBDSA-N 1 2 293.411 1.010 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C(C)C ZINC001234563070 943893741 /nfs/dbraw/zinc/89/37/41/943893741.db2.gz NGFBGOVTWWLPKM-OAHLLOKOSA-N 1 2 294.439 1.851 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C(C)C ZINC001234563070 943893748 /nfs/dbraw/zinc/89/37/48/943893748.db2.gz NGFBGOVTWWLPKM-OAHLLOKOSA-N 1 2 294.439 1.851 20 30 CDEDLO C#CCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCF)CCOCC1 ZINC001235160924 944074930 /nfs/dbraw/zinc/07/49/30/944074930.db2.gz RMHGDVPXQVKHNJ-AWEZNQCLSA-N 1 2 296.386 1.309 20 30 CDEDLO C#CCC1(C(=O)N(C)C[C@@H]2CC[N@H+]2CCF)CCOCC1 ZINC001235160924 944074935 /nfs/dbraw/zinc/07/49/35/944074935.db2.gz RMHGDVPXQVKHNJ-AWEZNQCLSA-N 1 2 296.386 1.309 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(F)cc(C(=O)OC)c2)CC1 ZINC001236784041 944565784 /nfs/dbraw/zinc/56/57/84/944565784.db2.gz YPAGVUHAIFAXFU-UHFFFAOYSA-N 1 2 290.338 1.363 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)ccn1 ZINC001237464899 944797211 /nfs/dbraw/zinc/79/72/11/944797211.db2.gz WNDSDEDFVUXQIL-OAHLLOKOSA-N 1 2 298.390 1.834 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)ccn1 ZINC001237464899 944797219 /nfs/dbraw/zinc/79/72/19/944797219.db2.gz WNDSDEDFVUXQIL-OAHLLOKOSA-N 1 2 298.390 1.834 20 30 CDEDLO O=C1C=C2C[N@@H+](Cc3c[nH]ccc3=O)CC[C@@H]2S1 ZINC001237845447 944979202 /nfs/dbraw/zinc/97/92/02/944979202.db2.gz IRWASQGLMXKUKF-LBPRGKRZSA-N 1 2 262.334 1.149 20 30 CDEDLO O=C1C=C2C[N@H+](Cc3c[nH]ccc3=O)CC[C@@H]2S1 ZINC001237845447 944979211 /nfs/dbraw/zinc/97/92/11/944979211.db2.gz IRWASQGLMXKUKF-LBPRGKRZSA-N 1 2 262.334 1.149 20 30 CDEDLO C=CCS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC001259936039 945725069 /nfs/dbraw/zinc/72/50/69/945725069.db2.gz WESAGTKCTBJQFM-CYBMUJFWSA-N 1 2 298.383 1.505 20 30 CDEDLO C=CCS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC001259936039 945725074 /nfs/dbraw/zinc/72/50/74/945725074.db2.gz WESAGTKCTBJQFM-CYBMUJFWSA-N 1 2 298.383 1.505 20 30 CDEDLO C[C@H](CNC(=O)C#Cc1cccs1)Cn1cc[nH+]c1 ZINC001261259593 946019378 /nfs/dbraw/zinc/01/93/78/946019378.db2.gz MYGIGCRHWMHLNV-GFCCVEGCSA-N 1 2 273.361 1.749 20 30 CDEDLO N#CCC[C@H](C#N)C[NH+]1CCC2(COC(=O)N2)CC1 ZINC001254566630 947528317 /nfs/dbraw/zinc/52/83/17/947528317.db2.gz YCTWYQTZTMRSOT-LLVKDONJSA-N 1 2 262.313 1.004 20 30 CDEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(C(=O)c3cccnc3)CC2)C1 ZINC001254674458 947590159 /nfs/dbraw/zinc/59/01/59/947590159.db2.gz ZNEIAMXTUIZSPU-ZFWWWQNUSA-N 1 2 284.363 1.532 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CC[C@@H](Oc2nccc(C)n2)C1 ZINC001255176868 947766620 /nfs/dbraw/zinc/76/66/20/947766620.db2.gz HLAHXJJYQIVBMI-CHWSQXEVSA-N 1 2 260.341 1.930 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CC[C@@H](Oc2nccc(C)n2)C1 ZINC001255176868 947766623 /nfs/dbraw/zinc/76/66/23/947766623.db2.gz HLAHXJJYQIVBMI-CHWSQXEVSA-N 1 2 260.341 1.930 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@H]1COc2ccc(Cl)cc2C1 ZINC001257955951 948671570 /nfs/dbraw/zinc/67/15/70/948671570.db2.gz FESPKHHNMOAEFF-OLZOCXBDSA-N 1 2 277.755 1.441 20 30 CDEDLO C=CCCNC(=S)N1CCc2[nH+]ccn2CC1 ZINC001247633676 948693492 /nfs/dbraw/zinc/69/34/92/948693492.db2.gz UNVZCPICEKEJDT-UHFFFAOYSA-N 1 2 250.371 1.192 20 30 CDEDLO C[N@@H+]1CCO[C@@H](c2nc(-c3cc(F)cc(C#N)c3)no2)C1 ZINC001248226950 948977982 /nfs/dbraw/zinc/97/79/82/948977982.db2.gz IQXYURJTTYAOFZ-GFCCVEGCSA-N 1 2 288.282 1.750 20 30 CDEDLO C[N@H+]1CCO[C@@H](c2nc(-c3cc(F)cc(C#N)c3)no2)C1 ZINC001248226950 948977989 /nfs/dbraw/zinc/97/79/89/948977989.db2.gz IQXYURJTTYAOFZ-GFCCVEGCSA-N 1 2 288.282 1.750 20 30 CDEDLO N#Cc1ccc2cc(C[N@@H+]3CCN4C(=O)CC[C@@H]4C3)[nH]c2c1 ZINC001249429806 949600806 /nfs/dbraw/zinc/60/08/06/949600806.db2.gz QDRRKGZNUBPKKO-OAHLLOKOSA-N 1 2 294.358 1.846 20 30 CDEDLO N#Cc1ccc2cc(C[N@H+]3CCN4C(=O)CC[C@@H]4C3)[nH]c2c1 ZINC001249429806 949600822 /nfs/dbraw/zinc/60/08/22/949600822.db2.gz QDRRKGZNUBPKKO-OAHLLOKOSA-N 1 2 294.358 1.846 20 30 CDEDLO C#CCOC[C@H](O)CNc1ccc[nH+]c1N1CCCCC1 ZINC001251824696 950849913 /nfs/dbraw/zinc/84/99/13/950849913.db2.gz OQLQICXVWWGCHQ-CQSZACIVSA-N 1 2 289.379 1.495 20 30 CDEDLO C#CCOC[C@@H](O)C[N@@H+]1Cc2cccc(Cl)c2C1 ZINC001251854764 950876324 /nfs/dbraw/zinc/87/63/24/950876324.db2.gz LQWSNIDULNTAEM-LBPRGKRZSA-N 1 2 265.740 1.666 20 30 CDEDLO C#CCOC[C@@H](O)C[N@H+]1Cc2cccc(Cl)c2C1 ZINC001251854764 950876342 /nfs/dbraw/zinc/87/63/42/950876342.db2.gz LQWSNIDULNTAEM-LBPRGKRZSA-N 1 2 265.740 1.666 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH2+]C[C@H](O)COC(C)C)[C@@H](C)CC ZINC001252690790 951584476 /nfs/dbraw/zinc/58/44/76/951584476.db2.gz HMMZGNGSVRRVGL-IHRRRGAJSA-N 1 2 287.400 1.506 20 30 CDEDLO C#CC[N@H+](CC1CC1)CN1C(=O)N[C@@](C)(C(C)C)C1=O ZINC001253579140 951968964 /nfs/dbraw/zinc/96/89/64/951968964.db2.gz HZROSLZGGSKPDY-HNNXBMFYSA-N 1 2 277.368 1.256 20 30 CDEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)N[C@@](C)(C(C)C)C1=O ZINC001253579140 951968970 /nfs/dbraw/zinc/96/89/70/951968970.db2.gz HZROSLZGGSKPDY-HNNXBMFYSA-N 1 2 277.368 1.256 20 30 CDEDLO C=C[C@@H](O)C[NH2+]C1(C(=O)OC)CCC(CC)CC1 ZINC001253608512 951995043 /nfs/dbraw/zinc/99/50/43/951995043.db2.gz LVRSZICSUTXEBB-MBHSVXNSSA-N 1 2 255.358 1.635 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cn(C)nc1C ZINC001480851323 971917528 /nfs/dbraw/zinc/91/75/28/971917528.db2.gz UGJZOLIEOCVGOF-UHFFFAOYSA-N 1 2 270.764 1.143 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cn(C)nc1C ZINC001480851323 971917532 /nfs/dbraw/zinc/91/75/32/971917532.db2.gz UGJZOLIEOCVGOF-UHFFFAOYSA-N 1 2 270.764 1.143 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001324413391 953379883 /nfs/dbraw/zinc/37/98/83/953379883.db2.gz OXIZISAZODUUSR-KBPBESRZSA-N 1 2 289.379 1.240 20 30 CDEDLO C=CC[C@H]1NC(=O)N(CCc2cn3cccc(C)c3[nH+]2)C1=O ZINC001324610513 953470451 /nfs/dbraw/zinc/47/04/51/953470451.db2.gz IBYHKTKTMUOECJ-CYBMUJFWSA-N 1 2 298.346 1.682 20 30 CDEDLO C#CC[NH+]1CCN(c2nc(C3CC3)nc3c2CCC3)CC1 ZINC001324644256 953492368 /nfs/dbraw/zinc/49/23/68/953492368.db2.gz KMVZOBGRTDPBAJ-UHFFFAOYSA-N 1 2 282.391 1.598 20 30 CDEDLO C=C[C@H](COC)NC(=O)NCc1c[nH+]c(C)cc1C ZINC001324889527 953623560 /nfs/dbraw/zinc/62/35/60/953623560.db2.gz VNKQEFWGTYPJST-CYBMUJFWSA-N 1 2 263.341 1.699 20 30 CDEDLO N#Cc1cc(NCc2ccc[nH+]c2N)nc(C2CC2)n1 ZINC001307123617 956365763 /nfs/dbraw/zinc/36/57/63/956365763.db2.gz NATWJDHQPRICEF-UHFFFAOYSA-N 1 2 266.308 1.815 20 30 CDEDLO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1nnnn1C ZINC001308133520 956474045 /nfs/dbraw/zinc/47/40/45/956474045.db2.gz BKUOSGLWIADVHP-SNVBAGLBSA-N 1 2 256.313 1.127 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC001330671508 956556453 /nfs/dbraw/zinc/55/64/53/956556453.db2.gz NJGQJEQQEFRUBB-SCZZXKLOSA-N 1 2 263.345 1.256 20 30 CDEDLO C#CC[N@H+](CC1CC1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC001331329332 956971895 /nfs/dbraw/zinc/97/18/95/956971895.db2.gz CGOIQFJDMOUVKL-HNNXBMFYSA-N 1 2 267.332 1.430 20 30 CDEDLO C#CC[N@@H+](CC1CC1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC001331329332 956971905 /nfs/dbraw/zinc/97/19/05/956971905.db2.gz CGOIQFJDMOUVKL-HNNXBMFYSA-N 1 2 267.332 1.430 20 30 CDEDLO C#CCOCC[N@@H+](C)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC001319657085 958675331 /nfs/dbraw/zinc/67/53/31/958675331.db2.gz SCUQGYMLZVYYCG-GFCCVEGCSA-N 1 2 285.347 1.978 20 30 CDEDLO C#CCOCC[N@H+](C)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC001319657085 958675341 /nfs/dbraw/zinc/67/53/41/958675341.db2.gz SCUQGYMLZVYYCG-GFCCVEGCSA-N 1 2 285.347 1.978 20 30 CDEDLO C=C(C)CCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC001337160812 960985380 /nfs/dbraw/zinc/98/53/80/960985380.db2.gz CHZHQONRXWWDDA-CQSZACIVSA-N 1 2 266.385 1.666 20 30 CDEDLO COc1ccc(NC(=O)Cc2[nH]c[nH+]c2C)cc1C#N ZINC001418982287 961222379 /nfs/dbraw/zinc/22/23/79/961222379.db2.gz YZOAYXNLFLZKPB-UHFFFAOYSA-N 1 2 270.292 1.780 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)C3CCC3)n2C)CC1 ZINC001338105737 961633718 /nfs/dbraw/zinc/63/37/18/961633718.db2.gz VKQFPKXICFDOBX-ZDUSSCGKSA-N 1 2 287.411 1.474 20 30 CDEDLO CCc1[nH]c(CNS(=O)(=O)c2cccc(C#N)c2)c[nH+]1 ZINC001434652105 961758138 /nfs/dbraw/zinc/75/81/38/961758138.db2.gz BGGJTONMCUXXCR-UHFFFAOYSA-N 1 2 290.348 1.322 20 30 CDEDLO CCc1[nH]cc(CNS(=O)(=O)c2cccc(C#N)c2)[nH+]1 ZINC001434652105 961758145 /nfs/dbraw/zinc/75/81/45/961758145.db2.gz BGGJTONMCUXXCR-UHFFFAOYSA-N 1 2 290.348 1.322 20 30 CDEDLO C=CCn1c(CCC)nnc1N(C)CC[NH+]1CCOCC1 ZINC001339556806 962423557 /nfs/dbraw/zinc/42/35/57/962423557.db2.gz CYHURJGEBARMPD-UHFFFAOYSA-N 1 2 293.415 1.185 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)C1CCOCC1)C1CC1 ZINC001420636553 963145557 /nfs/dbraw/zinc/14/55/57/963145557.db2.gz SBMSZDUKOXSTJY-UHFFFAOYSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)C1CCOCC1)C1CC1 ZINC001420636553 963145566 /nfs/dbraw/zinc/14/55/66/963145566.db2.gz SBMSZDUKOXSTJY-UHFFFAOYSA-N 1 2 286.803 1.746 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1cc(C)on1 ZINC001437745493 963158762 /nfs/dbraw/zinc/15/87/62/963158762.db2.gz MNSWNEXAIGPSHH-NSHDSACASA-N 1 2 278.356 1.471 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1cc(C)on1 ZINC001437745493 963158765 /nfs/dbraw/zinc/15/87/65/963158765.db2.gz MNSWNEXAIGPSHH-NSHDSACASA-N 1 2 278.356 1.471 20 30 CDEDLO C#CC1CCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2C)CC1 ZINC001341711640 963518663 /nfs/dbraw/zinc/51/86/63/963518663.db2.gz ZUGPDXPRAZDPHQ-AWEZNQCLSA-N 1 2 287.411 1.822 20 30 CDEDLO C#CC1CCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2C)CC1 ZINC001341711640 963518666 /nfs/dbraw/zinc/51/86/66/963518666.db2.gz ZUGPDXPRAZDPHQ-AWEZNQCLSA-N 1 2 287.411 1.822 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C(F)F)n2CC=C)CC1 ZINC001342368372 963722318 /nfs/dbraw/zinc/72/23/18/963722318.db2.gz VVIJGNPTVLQFNG-UHFFFAOYSA-N 1 2 281.310 1.157 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)NCc1ccc(C#N)cc1 ZINC001345801543 964821134 /nfs/dbraw/zinc/82/11/34/964821134.db2.gz JHHZKWREUQKWSY-UHFFFAOYSA-N 1 2 268.320 1.541 20 30 CDEDLO C#CCN(C)c1nnc([C@H]2CCCC[N@@H+]2C)n1CC1CC1 ZINC001346838828 965274412 /nfs/dbraw/zinc/27/44/12/965274412.db2.gz MUFMCBPLFDKKQG-CQSZACIVSA-N 1 2 287.411 1.914 20 30 CDEDLO C#CCN(C)c1nnc([C@H]2CCCC[N@H+]2C)n1CC1CC1 ZINC001346838828 965274426 /nfs/dbraw/zinc/27/44/26/965274426.db2.gz MUFMCBPLFDKKQG-CQSZACIVSA-N 1 2 287.411 1.914 20 30 CDEDLO CNc1ccc(C#N)cc1NC(=O)CCc1[nH+]ccn1C ZINC001548698534 967753108 /nfs/dbraw/zinc/75/31/08/967753108.db2.gz UQDXDZQTAUEQFJ-UHFFFAOYSA-N 1 2 283.335 1.905 20 30 CDEDLO CC[C@@H](C#N)C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001353485087 968009193 /nfs/dbraw/zinc/00/91/93/968009193.db2.gz CDJXRNQCKJVLKR-NSHDSACASA-N 1 2 260.341 1.676 20 30 CDEDLO C#CCC[NH2+]C1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001100348901 968083045 /nfs/dbraw/zinc/08/30/45/968083045.db2.gz KBEOHOZQAPNVOA-RTBKNWGFSA-N 1 2 280.265 1.395 20 30 CDEDLO C#CCC[NH2+]C1CC(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001100348901 968083052 /nfs/dbraw/zinc/08/30/52/968083052.db2.gz KBEOHOZQAPNVOA-RTBKNWGFSA-N 1 2 280.265 1.395 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC001467620206 970082519 /nfs/dbraw/zinc/08/25/19/970082519.db2.gz BRNVNQMCBDLCNS-LBPRGKRZSA-N 1 2 297.362 1.948 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cc2cnccc2o1 ZINC001520431499 970185405 /nfs/dbraw/zinc/18/54/05/970185405.db2.gz AGAHPQBRXXSKIF-AWEZNQCLSA-N 1 2 283.331 1.542 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cc2cnccc2o1 ZINC001520431499 970185407 /nfs/dbraw/zinc/18/54/07/970185407.db2.gz AGAHPQBRXXSKIF-AWEZNQCLSA-N 1 2 283.331 1.542 20 30 CDEDLO N#CCCN(CCC#N)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001361891057 970648908 /nfs/dbraw/zinc/64/89/08/970648908.db2.gz SPEKXNDMJDVWAA-GFCCVEGCSA-N 1 2 271.324 1.101 20 30 CDEDLO CCc1cccc(C[NH+]2CC(NC(=O)[C@@H](C)C#N)C2)c1 ZINC001373417500 973429857 /nfs/dbraw/zinc/42/98/57/973429857.db2.gz OCJSLICLCDJNNO-LBPRGKRZSA-N 1 2 271.364 1.709 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cc1ccc(F)cn1 ZINC001377182469 974917446 /nfs/dbraw/zinc/91/74/46/974917446.db2.gz RPEOPZCNVSZFJG-UHFFFAOYSA-N 1 2 285.750 1.564 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cc1ccc(F)cn1 ZINC001377182469 974917451 /nfs/dbraw/zinc/91/74/51/974917451.db2.gz RPEOPZCNVSZFJG-UHFFFAOYSA-N 1 2 285.750 1.564 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CCOC ZINC001402716947 976451813 /nfs/dbraw/zinc/45/18/13/976451813.db2.gz KQJNOXRYEWXWCU-GFCCVEGCSA-N 1 2 274.792 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCOC ZINC001402716947 976451816 /nfs/dbraw/zinc/45/18/16/976451816.db2.gz KQJNOXRYEWXWCU-GFCCVEGCSA-N 1 2 274.792 1.746 20 30 CDEDLO CC(C)OCC(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001390741332 976473032 /nfs/dbraw/zinc/47/30/32/976473032.db2.gz IWJDRNFUIUAMHO-UHFFFAOYSA-N 1 2 289.379 1.531 20 30 CDEDLO CC(C)OCC(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001390741332 976473037 /nfs/dbraw/zinc/47/30/37/976473037.db2.gz IWJDRNFUIUAMHO-UHFFFAOYSA-N 1 2 289.379 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccn(C)n1 ZINC001391022824 976648921 /nfs/dbraw/zinc/64/89/21/976648921.db2.gz MJTVVTJGRMUDJX-UHFFFAOYSA-N 1 2 270.764 1.224 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccn(C)n1 ZINC001391022824 976648926 /nfs/dbraw/zinc/64/89/26/976648926.db2.gz MJTVVTJGRMUDJX-UHFFFAOYSA-N 1 2 270.764 1.224 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cncnc1CC ZINC001381626340 976955801 /nfs/dbraw/zinc/95/58/01/976955801.db2.gz GDTVVNYZPCVOMY-NSHDSACASA-N 1 2 296.802 1.842 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cncnc1CC ZINC001381626340 976955815 /nfs/dbraw/zinc/95/58/15/976955815.db2.gz GDTVVNYZPCVOMY-NSHDSACASA-N 1 2 296.802 1.842 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1noc2c1COCC2 ZINC001403786517 977189152 /nfs/dbraw/zinc/18/91/52/977189152.db2.gz OWKUUJBUHNUQOG-UHFFFAOYSA-N 1 2 299.758 1.161 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1noc2c1COCC2 ZINC001403786517 977189156 /nfs/dbraw/zinc/18/91/56/977189156.db2.gz OWKUUJBUHNUQOG-UHFFFAOYSA-N 1 2 299.758 1.161 20 30 CDEDLO C=C1CCC(C(=O)NCC[NH2+]Cc2nnc(C)o2)CC1 ZINC001133362484 1163655044 /nfs/dbraw/zinc/65/50/44/1163655044.db2.gz IDBQLKBPBFPXBQ-UHFFFAOYSA-N 1 2 278.356 1.330 20 30 CDEDLO C=CCCC(=O)NCCC1CC[NH+](Cc2cnn[nH]2)CC1 ZINC001575088205 1171110773 /nfs/dbraw/zinc/11/07/73/1171110773.db2.gz YDSRCRFMNUBAOO-UHFFFAOYSA-N 1 2 291.399 1.489 20 30 CDEDLO C=CCCC(=O)NCCC1CC[NH+](Cc2c[nH]nn2)CC1 ZINC001575088205 1171110778 /nfs/dbraw/zinc/11/07/78/1171110778.db2.gz YDSRCRFMNUBAOO-UHFFFAOYSA-N 1 2 291.399 1.489 20 30 CDEDLO CSC[C@](C)(C#N)NC(=O)CCCn1cc[nH+]c1 ZINC000589047936 342484775 /nfs/dbraw/zinc/48/47/75/342484775.db2.gz HSSUHVZCQBAURT-LBPRGKRZSA-N 1 2 266.370 1.425 20 30 CDEDLO N#Cc1ccc(NCC(=O)N2CCc3[nH]c[nH+]c3C2)cc1 ZINC000590379529 342541240 /nfs/dbraw/zinc/54/12/40/342541240.db2.gz VNVIULQVYIKFQN-UHFFFAOYSA-N 1 2 281.319 1.278 20 30 CDEDLO N#Cc1ccc(NCC(=O)N2CCc3[nH+]c[nH]c3C2)cc1 ZINC000590379529 342541241 /nfs/dbraw/zinc/54/12/41/342541241.db2.gz VNVIULQVYIKFQN-UHFFFAOYSA-N 1 2 281.319 1.278 20 30 CDEDLO N#CC1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000590486408 342564221 /nfs/dbraw/zinc/56/42/21/342564221.db2.gz JXXIQIKITPKGSG-UHFFFAOYSA-N 1 2 252.277 1.468 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](CCOCC)CC1 ZINC000110923574 342575819 /nfs/dbraw/zinc/57/58/19/342575819.db2.gz NXPSMEXKFRNNNN-AWEZNQCLSA-N 1 2 284.400 1.148 20 30 CDEDLO CC(C)C[C@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000608823097 342052316 /nfs/dbraw/zinc/05/23/16/342052316.db2.gz BWPFFFQYEBSHPA-LLVKDONJSA-N 1 2 284.323 1.330 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H]1CCO[C@@H](CC)C1)C(=O)OC ZINC000590652731 342580745 /nfs/dbraw/zinc/58/07/45/342580745.db2.gz OGJUEEBZNDPRLQ-AGIUHOORSA-N 1 2 271.357 1.278 20 30 CDEDLO COc1ccc(C[N@H+](C)CC(=O)NC(C)C)cc1C#N ZINC000087833307 361805740 /nfs/dbraw/zinc/80/57/40/361805740.db2.gz FEGSXCMOGORCQR-UHFFFAOYSA-N 1 2 275.352 1.523 20 30 CDEDLO COc1ccc(C[N@@H+](C)CC(=O)NC(C)C)cc1C#N ZINC000087833307 361805743 /nfs/dbraw/zinc/80/57/43/361805743.db2.gz FEGSXCMOGORCQR-UHFFFAOYSA-N 1 2 275.352 1.523 20 30 CDEDLO COc1ccc(C)cc1NC(=O)C[NH2+][C@@H](C)CC#N ZINC000609030835 342087565 /nfs/dbraw/zinc/08/75/65/342087565.db2.gz FQULYEUHRFYJHN-NSHDSACASA-N 1 2 261.325 1.834 20 30 CDEDLO C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148188 342668129 /nfs/dbraw/zinc/66/81/29/342668129.db2.gz RQQLTEBJLCTRRU-GUYCJALGSA-N 1 2 299.374 1.315 20 30 CDEDLO C[C@@H](C(=O)N1CCc2ccccc21)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148188 342668130 /nfs/dbraw/zinc/66/81/30/342668130.db2.gz RQQLTEBJLCTRRU-GUYCJALGSA-N 1 2 299.374 1.315 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000592148253 342668323 /nfs/dbraw/zinc/66/83/23/342668323.db2.gz SQQWUPUQXCLSRR-ZDUSSCGKSA-N 1 2 252.264 1.815 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000592148253 342668324 /nfs/dbraw/zinc/66/83/24/342668324.db2.gz SQQWUPUQXCLSRR-ZDUSSCGKSA-N 1 2 252.264 1.815 20 30 CDEDLO C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148652 342668407 /nfs/dbraw/zinc/66/84/07/342668407.db2.gz YLHVNXAZXRZYOI-GUYCJALGSA-N 1 2 299.374 1.315 20 30 CDEDLO C[C@H]1Cc2ccccc2N1C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148652 342668408 /nfs/dbraw/zinc/66/84/08/342668408.db2.gz YLHVNXAZXRZYOI-GUYCJALGSA-N 1 2 299.374 1.315 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NCCC2CCCCC2)C1 ZINC000592150530 342668668 /nfs/dbraw/zinc/66/86/68/342668668.db2.gz FZGMYGYPNDGCNR-MRXNPFEDSA-N 1 2 293.411 1.423 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NCCC2CCCCC2)C1 ZINC000592150530 342668669 /nfs/dbraw/zinc/66/86/69/342668669.db2.gz FZGMYGYPNDGCNR-MRXNPFEDSA-N 1 2 293.411 1.423 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC000592151253 342668854 /nfs/dbraw/zinc/66/88/54/342668854.db2.gz KYNIVGQMLFJZOQ-GFCCVEGCSA-N 1 2 251.717 1.585 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC000592151253 342668855 /nfs/dbraw/zinc/66/88/55/342668855.db2.gz KYNIVGQMLFJZOQ-GFCCVEGCSA-N 1 2 251.717 1.585 20 30 CDEDLO COc1ncc(C[N@@H+]2CC[C@](O)(CC#N)C2)cc1Cl ZINC000592151700 342669075 /nfs/dbraw/zinc/66/90/75/342669075.db2.gz PFHJJYFKIMWZCS-CYBMUJFWSA-N 1 2 281.743 1.594 20 30 CDEDLO COc1ncc(C[N@H+]2CC[C@](O)(CC#N)C2)cc1Cl ZINC000592151700 342669076 /nfs/dbraw/zinc/66/90/76/342669076.db2.gz PFHJJYFKIMWZCS-CYBMUJFWSA-N 1 2 281.743 1.594 20 30 CDEDLO Cc1cccc2[nH+]c(CCNC(=O)CCCC#N)cn21 ZINC000592745902 342721206 /nfs/dbraw/zinc/72/12/06/342721206.db2.gz OEDXYXMZKKQGCI-UHFFFAOYSA-N 1 2 270.336 1.995 20 30 CDEDLO CC[C@@H](C#N)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000593404110 342791334 /nfs/dbraw/zinc/79/13/34/342791334.db2.gz WAJQPCMEVKQEPJ-ZDUSSCGKSA-N 1 2 288.351 1.084 20 30 CDEDLO CC[C@H](C#N)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000593538791 342810052 /nfs/dbraw/zinc/81/00/52/342810052.db2.gz PIPLGMGUMVXUEL-GFCCVEGCSA-N 1 2 288.351 1.715 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000594009008 342862987 /nfs/dbraw/zinc/86/29/87/342862987.db2.gz WLBOBPPCBFIERK-KGLIPLIRSA-N 1 2 287.363 1.388 20 30 CDEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](O)C2)C1=O ZINC000083127352 342218508 /nfs/dbraw/zinc/21/85/08/342218508.db2.gz UEXMBLRBLRTHLY-RYUDHWBXSA-N 1 2 291.376 1.182 20 30 CDEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](O)C2)C1=O ZINC000083127352 342218509 /nfs/dbraw/zinc/21/85/09/342218509.db2.gz UEXMBLRBLRTHLY-RYUDHWBXSA-N 1 2 291.376 1.182 20 30 CDEDLO CCn1cnnc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329128074 529598779 /nfs/dbraw/zinc/59/87/79/529598779.db2.gz VEKBSPNADXHMPX-VIFPVBQESA-N 1 2 260.301 1.345 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000565668747 365698391 /nfs/dbraw/zinc/69/83/91/365698391.db2.gz AFYOILUMIZJJQL-AWEZNQCLSA-N 1 2 295.346 1.763 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@H](C)CO1 ZINC000329742629 362038279 /nfs/dbraw/zinc/03/82/79/362038279.db2.gz PPAYVHYDKNBSFO-GMTAPVOTSA-N 1 2 278.356 1.290 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)[C@H](C)CO1 ZINC000329742629 362038280 /nfs/dbraw/zinc/03/82/80/362038280.db2.gz PPAYVHYDKNBSFO-GMTAPVOTSA-N 1 2 278.356 1.290 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595546854 343084117 /nfs/dbraw/zinc/08/41/17/343084117.db2.gz JLFUSZUREIPSPL-SECBINFHSA-N 1 2 258.281 1.840 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595546854 343084118 /nfs/dbraw/zinc/08/41/18/343084118.db2.gz JLFUSZUREIPSPL-SECBINFHSA-N 1 2 258.281 1.840 20 30 CDEDLO N#CCc1ccc(C[N@@H+]2CCOC[C@@]23CCOC3)cc1 ZINC000441363586 362008005 /nfs/dbraw/zinc/00/80/05/362008005.db2.gz JTXMEQYQZLAZBW-INIZCTEOSA-N 1 2 272.348 1.744 20 30 CDEDLO N#CCc1ccc(C[N@H+]2CCOC[C@@]23CCOC3)cc1 ZINC000441363586 362008009 /nfs/dbraw/zinc/00/80/09/362008009.db2.gz JTXMEQYQZLAZBW-INIZCTEOSA-N 1 2 272.348 1.744 20 30 CDEDLO COCc1noc([C@H](C)[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595620264 343110995 /nfs/dbraw/zinc/11/09/95/343110995.db2.gz LEEGSMRHHBHUGJ-WDEREUQCSA-N 1 2 264.329 1.903 20 30 CDEDLO COCc1noc([C@H](C)[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595620264 343110997 /nfs/dbraw/zinc/11/09/97/343110997.db2.gz LEEGSMRHHBHUGJ-WDEREUQCSA-N 1 2 264.329 1.903 20 30 CDEDLO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595616103 343110136 /nfs/dbraw/zinc/11/01/36/343110136.db2.gz PMTFBGZTJNUOIO-QWRGUYRKSA-N 1 2 289.387 1.037 20 30 CDEDLO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595616103 343110137 /nfs/dbraw/zinc/11/01/37/343110137.db2.gz PMTFBGZTJNUOIO-QWRGUYRKSA-N 1 2 289.387 1.037 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](Cc2nnc3n2CCCC3)C1 ZINC000595623509 343111939 /nfs/dbraw/zinc/11/19/39/343111939.db2.gz RZJGRAWLSIIRQM-GFCCVEGCSA-N 1 2 259.357 1.740 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](Cc2nnc3n2CCCC3)C1 ZINC000595623509 343111941 /nfs/dbraw/zinc/11/19/41/343111941.db2.gz RZJGRAWLSIIRQM-GFCCVEGCSA-N 1 2 259.357 1.740 20 30 CDEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)NC1CCOCC1)CCO2 ZINC000329893828 362084636 /nfs/dbraw/zinc/08/46/36/362084636.db2.gz AZOLQIYXTUNXGR-SWLSCSKDSA-N 1 2 298.383 1.002 20 30 CDEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)NC1CCOCC1)CCO2 ZINC000329893828 362084638 /nfs/dbraw/zinc/08/46/38/362084638.db2.gz AZOLQIYXTUNXGR-SWLSCSKDSA-N 1 2 298.383 1.002 20 30 CDEDLO COc1ccc2c(c1)CC[N@@H+](CC(=O)NC1(C#N)CCC1)C2 ZINC000595761059 343144174 /nfs/dbraw/zinc/14/41/74/343144174.db2.gz YSLLFCRULQKYJX-UHFFFAOYSA-N 1 2 299.374 1.616 20 30 CDEDLO COc1ccc2c(c1)CC[N@H+](CC(=O)NC1(C#N)CCC1)C2 ZINC000595761059 343144176 /nfs/dbraw/zinc/14/41/76/343144176.db2.gz YSLLFCRULQKYJX-UHFFFAOYSA-N 1 2 299.374 1.616 20 30 CDEDLO N#Cc1cnnc(N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000596059824 343222896 /nfs/dbraw/zinc/22/28/96/343222896.db2.gz ARITYLCTGCHTDH-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1cnccn1 ZINC000080966168 342362508 /nfs/dbraw/zinc/36/25/08/342362508.db2.gz YWXZOUOVOCAQIX-WFASDCNBSA-N 1 2 289.383 1.351 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1cnccn1 ZINC000080966168 342362509 /nfs/dbraw/zinc/36/25/09/342362509.db2.gz YWXZOUOVOCAQIX-WFASDCNBSA-N 1 2 289.383 1.351 20 30 CDEDLO Cn1ncc(C#N)c1N1CC[NH+](Cc2ccsc2)CC1 ZINC000596067521 343224474 /nfs/dbraw/zinc/22/44/74/343224474.db2.gz NVKXREUKLDAUSW-UHFFFAOYSA-N 1 2 287.392 1.675 20 30 CDEDLO CN1CCOC[C@@H]1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000329004504 529780377 /nfs/dbraw/zinc/78/03/77/529780377.db2.gz WYTIGBAOVBWUPK-GFCCVEGCSA-N 1 2 274.324 1.121 20 30 CDEDLO C=C[C@@H]([NH2+]CCCc1ccc(OC)cc1)C(=O)OC ZINC000619700575 349857520 /nfs/dbraw/zinc/85/75/20/349857520.db2.gz CHEDFXHLYWXJNY-CQSZACIVSA-N 1 2 263.337 1.945 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000619719493 349869379 /nfs/dbraw/zinc/86/93/79/349869379.db2.gz CVVUGUAIZCYEQR-STQMWFEESA-N 1 2 292.383 1.766 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000619719493 349869381 /nfs/dbraw/zinc/86/93/81/349869381.db2.gz CVVUGUAIZCYEQR-STQMWFEESA-N 1 2 292.383 1.766 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000619719492 349869466 /nfs/dbraw/zinc/86/94/66/349869466.db2.gz CVVUGUAIZCYEQR-QWHCGFSZSA-N 1 2 292.383 1.766 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000619719492 349869470 /nfs/dbraw/zinc/86/94/70/349869470.db2.gz CVVUGUAIZCYEQR-QWHCGFSZSA-N 1 2 292.383 1.766 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000619721899 349872342 /nfs/dbraw/zinc/87/23/42/349872342.db2.gz YQUCRJFWKLWXMY-XJKSGUPXSA-N 1 2 286.331 1.310 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000619721899 349872345 /nfs/dbraw/zinc/87/23/45/349872345.db2.gz YQUCRJFWKLWXMY-XJKSGUPXSA-N 1 2 286.331 1.310 20 30 CDEDLO COCC[N@H+](CCC#N)C[C@@H](O)CC(C)(C)C#N ZINC000598592016 343838379 /nfs/dbraw/zinc/83/83/79/343838379.db2.gz DRFPNXKMEWDTJY-LBPRGKRZSA-N 1 2 253.346 1.149 20 30 CDEDLO COCC[N@@H+](CCC#N)C[C@@H](O)CC(C)(C)C#N ZINC000598592016 343838381 /nfs/dbraw/zinc/83/83/81/343838381.db2.gz DRFPNXKMEWDTJY-LBPRGKRZSA-N 1 2 253.346 1.149 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCc3c(O)cccc3C2)CCC1 ZINC000599646414 344112858 /nfs/dbraw/zinc/11/28/58/344112858.db2.gz JOGNKLMKVBPTFR-UHFFFAOYSA-N 1 2 285.347 1.313 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCc3c(O)cccc3C2)CCC1 ZINC000599646414 344112860 /nfs/dbraw/zinc/11/28/60/344112860.db2.gz JOGNKLMKVBPTFR-UHFFFAOYSA-N 1 2 285.347 1.313 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2CC2(C#N)CC2)O1 ZINC000619784993 349901929 /nfs/dbraw/zinc/90/19/29/349901929.db2.gz PNFYNWYPIIVJLS-LOWDOPEQSA-N 1 2 278.352 1.474 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2CC2(C#N)CC2)O1 ZINC000619784993 349901931 /nfs/dbraw/zinc/90/19/31/349901931.db2.gz PNFYNWYPIIVJLS-LOWDOPEQSA-N 1 2 278.352 1.474 20 30 CDEDLO COC(=O)[C@H]1CC[C@H](C(=O)OC)C[N@H+]1CCC(C)(C)C#N ZINC000599587900 344093562 /nfs/dbraw/zinc/09/35/62/344093562.db2.gz IAKVDKNKCAQFHB-NWDGAFQWSA-N 1 2 296.367 1.353 20 30 CDEDLO COC(=O)[C@H]1CC[C@H](C(=O)OC)C[N@@H+]1CCC(C)(C)C#N ZINC000599587900 344093565 /nfs/dbraw/zinc/09/35/65/344093565.db2.gz IAKVDKNKCAQFHB-NWDGAFQWSA-N 1 2 296.367 1.353 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)CC[NH+](C2CC2)C2CC2)cc1 ZINC000599599116 344099609 /nfs/dbraw/zinc/09/96/09/344099609.db2.gz JDLBGZJRLHWVIL-UHFFFAOYSA-N 1 2 290.388 1.959 20 30 CDEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCCCNC1=O ZINC000159587848 362377654 /nfs/dbraw/zinc/37/76/54/362377654.db2.gz LTAJXJVMMIPXLT-AWEZNQCLSA-N 1 2 275.327 1.798 20 30 CDEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCCCNC1=O ZINC000159587848 362377657 /nfs/dbraw/zinc/37/76/57/362377657.db2.gz LTAJXJVMMIPXLT-AWEZNQCLSA-N 1 2 275.327 1.798 20 30 CDEDLO CCOC(=O)[C@H]1CSCC[N@@H+]1C[C@H](C)CCC#N ZINC000602437465 344416753 /nfs/dbraw/zinc/41/67/53/344416753.db2.gz YLRWVFPQFVNLSU-VXGBXAGGSA-N 1 2 270.398 1.907 20 30 CDEDLO CCOC(=O)[C@H]1CSCC[N@H+]1C[C@H](C)CCC#N ZINC000602437465 344416755 /nfs/dbraw/zinc/41/67/55/344416755.db2.gz YLRWVFPQFVNLSU-VXGBXAGGSA-N 1 2 270.398 1.907 20 30 CDEDLO C=CCC[C@H]([NH2+][C@@H](C)Cn1cncn1)C(=O)OCC ZINC000602682853 344528854 /nfs/dbraw/zinc/52/88/54/344528854.db2.gz SMCNCVXEYDGKRO-RYUDHWBXSA-N 1 2 266.345 1.154 20 30 CDEDLO COc1ccc(C[NH+]2CCN(CCC#N)CC2)cc1O ZINC000602750467 344579529 /nfs/dbraw/zinc/57/95/29/344579529.db2.gz IBNVHQUFLYWUSY-UHFFFAOYSA-N 1 2 275.352 1.432 20 30 CDEDLO CCOC(=O)C1CCN(C(=O)[C@H](C)[NH2+][C@H](C)CC#N)CC1 ZINC000602861080 344616557 /nfs/dbraw/zinc/61/65/57/344616557.db2.gz FGDKHOIENBCWBJ-NEPJUHHUSA-N 1 2 295.383 1.068 20 30 CDEDLO COCc1cccc(CNC(=O)C[NH2+][C@@H](C)CC#N)c1 ZINC000602860705 344616625 /nfs/dbraw/zinc/61/66/25/344616625.db2.gz FLAVBKPEPFYDFJ-LBPRGKRZSA-N 1 2 275.352 1.341 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCCc1c(F)cccc1F ZINC000602861753 344616995 /nfs/dbraw/zinc/61/69/95/344616995.db2.gz IKKQEAXFRBOFQL-SNVBAGLBSA-N 1 2 281.306 1.515 20 30 CDEDLO COc1cccc(CN(C)C(=O)C[NH2+][C@H](C)CC#N)c1 ZINC000602861700 344617548 /nfs/dbraw/zinc/61/75/48/344617548.db2.gz HRMNXOXYBQUAMP-GFCCVEGCSA-N 1 2 275.352 1.545 20 30 CDEDLO CCOc1ccccc1NC(=O)C[NH2+][C@H](C)CC#N ZINC000602862806 344618008 /nfs/dbraw/zinc/61/80/08/344618008.db2.gz MAQVOPXQDBFRQJ-LLVKDONJSA-N 1 2 261.325 1.916 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(Cl)cn1 ZINC000602869813 344640511 /nfs/dbraw/zinc/64/05/11/344640511.db2.gz PDCPEUJVPWFETJ-MRVPVSSYSA-N 1 2 252.705 1.565 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cc(C#N)ccc2F)nn1 ZINC000603192725 344729316 /nfs/dbraw/zinc/72/93/16/344729316.db2.gz MVKVUOBURDDLRW-UHFFFAOYSA-N 1 2 283.310 1.450 20 30 CDEDLO N#CC1(Cn2cc(C[NH+]3CCSCC3)nn2)CC1 ZINC000603227938 344739501 /nfs/dbraw/zinc/73/95/01/344739501.db2.gz VOMFPYUTHWBLRK-UHFFFAOYSA-N 1 2 263.370 1.131 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@H](C(C)C)C2)C1=O ZINC000337178964 345065016 /nfs/dbraw/zinc/06/50/16/345065016.db2.gz KTLUJHORDCQHEE-OLZOCXBDSA-N 1 2 252.358 1.130 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@H](C(C)C)C2)C1=O ZINC000337178964 345065018 /nfs/dbraw/zinc/06/50/18/345065018.db2.gz KTLUJHORDCQHEE-OLZOCXBDSA-N 1 2 252.358 1.130 20 30 CDEDLO CCn1nccc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000582463268 412520934 /nfs/dbraw/zinc/52/09/34/412520934.db2.gz HTBNMGBMZRCNAE-UHFFFAOYSA-N 1 2 296.378 1.492 20 30 CDEDLO Cc1cc(C[N@@H+](C)[C@H](C)CS(C)(=O)=O)ccc1C#N ZINC000487884160 301270671 /nfs/dbraw/zinc/27/06/71/301270671.db2.gz UGORSBVGMCLEJY-GFCCVEGCSA-N 1 2 280.393 1.732 20 30 CDEDLO Cc1cc(C[N@H+](C)[C@H](C)CS(C)(=O)=O)ccc1C#N ZINC000487884160 301270673 /nfs/dbraw/zinc/27/06/73/301270673.db2.gz UGORSBVGMCLEJY-GFCCVEGCSA-N 1 2 280.393 1.732 20 30 CDEDLO N#CCCCS(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609542261 345596798 /nfs/dbraw/zinc/59/67/98/345596798.db2.gz GHCBWZGTMKYPCE-GFCCVEGCSA-N 1 2 282.369 1.154 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000448856518 362599863 /nfs/dbraw/zinc/59/98/63/362599863.db2.gz AYIQOFFWQFTDJW-UHFFFAOYSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000448856518 362599868 /nfs/dbraw/zinc/59/98/68/362599868.db2.gz AYIQOFFWQFTDJW-UHFFFAOYSA-N 1 2 254.374 1.426 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623302788 346021153 /nfs/dbraw/zinc/02/11/53/346021153.db2.gz PCDZFJLDIQLZDK-IUODEOHRSA-N 1 2 277.368 1.543 20 30 CDEDLO Cc1nnc([C@@H](C)O[NH+]=C(N)Cc2csc(C)n2)o1 ZINC000072920193 260279101 /nfs/dbraw/zinc/27/91/01/260279101.db2.gz GSRALVOMOZCYMV-ZCFIWIBFSA-N 1 2 281.341 1.735 20 30 CDEDLO CC#CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000270637737 190753133 /nfs/dbraw/zinc/75/31/33/190753133.db2.gz HIRPGBUJQFQWSD-UHFFFAOYSA-N 1 2 296.374 1.409 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000611008938 346574585 /nfs/dbraw/zinc/57/45/85/346574585.db2.gz OHBQOLZWJQJYEM-UHFFFAOYSA-N 1 2 268.320 1.848 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCc2cn[nH]c2C1 ZINC000611008938 346574586 /nfs/dbraw/zinc/57/45/86/346574586.db2.gz OHBQOLZWJQJYEM-UHFFFAOYSA-N 1 2 268.320 1.848 20 30 CDEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000611157898 346623084 /nfs/dbraw/zinc/62/30/84/346623084.db2.gz KLGYRXWHDUWEMG-UHFFFAOYSA-N 1 2 296.739 1.413 20 30 CDEDLO COc1ccc(CN(C)Cc2[nH]cc[nH+]2)cc1C#N ZINC000611236961 346706137 /nfs/dbraw/zinc/70/61/37/346706137.db2.gz GNNSPWLFVKMHNP-UHFFFAOYSA-N 1 2 256.309 1.922 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(C#N)CC1 ZINC000057907885 347120300 /nfs/dbraw/zinc/12/03/00/347120300.db2.gz ZOXRGQNJGUZDGB-WFASDCNBSA-N 1 2 276.384 1.665 20 30 CDEDLO C=C[C@@H](Sc1nc(N)cc(CC)[nH+]1)C(=O)OC ZINC000619689355 347767272 /nfs/dbraw/zinc/76/72/72/347767272.db2.gz LBLYIVRCJLWZMS-MRVPVSSYSA-N 1 2 253.327 1.271 20 30 CDEDLO CC(C)(C#N)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000055070511 347835618 /nfs/dbraw/zinc/83/56/18/347835618.db2.gz JVXSEIFXINYUIZ-UHFFFAOYSA-N 1 2 272.352 1.276 20 30 CDEDLO N#Cc1cc(O)cc(C(=O)Nc2cc[nH+]cc2O)c1 ZINC000614298095 348064525 /nfs/dbraw/zinc/06/45/25/348064525.db2.gz CBICUSVQGRPHQQ-UHFFFAOYSA-N 1 2 255.233 1.039 20 30 CDEDLO CCOC(=O)c1cnn(Cc2ccc(N(C)C)[nH+]c2)c1C#N ZINC000600537124 348161469 /nfs/dbraw/zinc/16/14/69/348161469.db2.gz XXHPRYIYGBIONP-UHFFFAOYSA-N 1 2 299.334 1.441 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(NC(=O)CCCCC)CC1 ZINC000619716969 348183400 /nfs/dbraw/zinc/18/34/00/348183400.db2.gz HOWSZTMDOVKACO-AWEZNQCLSA-N 1 2 296.411 1.875 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(F)cc1F ZINC000414122330 362921402 /nfs/dbraw/zinc/92/14/02/362921402.db2.gz FXDIQMTWZGAXBY-NSHDSACASA-N 1 2 270.279 1.550 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(F)cc1F ZINC000414122330 362921408 /nfs/dbraw/zinc/92/14/08/362921408.db2.gz FXDIQMTWZGAXBY-NSHDSACASA-N 1 2 270.279 1.550 20 30 CDEDLO COCc1cccc(OC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000414152984 362925277 /nfs/dbraw/zinc/92/52/77/362925277.db2.gz RMTRJRCBCNRXRR-AWEZNQCLSA-N 1 2 278.352 1.418 20 30 CDEDLO COCc1cccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414152984 362925280 /nfs/dbraw/zinc/92/52/80/362925280.db2.gz RMTRJRCBCNRXRR-AWEZNQCLSA-N 1 2 278.352 1.418 20 30 CDEDLO CC[N@@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)C[C@@H]1C ZINC000615430315 348507507 /nfs/dbraw/zinc/50/75/07/348507507.db2.gz MNJFCJWPRGFATG-NSHDSACASA-N 1 2 273.336 1.430 20 30 CDEDLO CC[N@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)C[C@@H]1C ZINC000615430315 348507508 /nfs/dbraw/zinc/50/75/08/348507508.db2.gz MNJFCJWPRGFATG-NSHDSACASA-N 1 2 273.336 1.430 20 30 CDEDLO N#C[C@]1(F)CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000615661080 348628768 /nfs/dbraw/zinc/62/87/68/348628768.db2.gz AHWCHZGXFMSWPO-OAHLLOKOSA-N 1 2 284.294 1.950 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000066470201 348986367 /nfs/dbraw/zinc/98/63/67/348986367.db2.gz CTZTZEZVOJVKMF-OLZOCXBDSA-N 1 2 291.370 1.964 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000066470201 348986370 /nfs/dbraw/zinc/98/63/70/348986370.db2.gz CTZTZEZVOJVKMF-OLZOCXBDSA-N 1 2 291.370 1.964 20 30 CDEDLO CC(=O)N1CC[N@H+](Cc2cccc(C#N)n2)C(C)(C)C1 ZINC000602591992 350130668 /nfs/dbraw/zinc/13/06/68/350130668.db2.gz PKQZBABVWLCDJZ-UHFFFAOYSA-N 1 2 272.352 1.396 20 30 CDEDLO CC(=O)N1CC[N@@H+](Cc2cccc(C#N)n2)C(C)(C)C1 ZINC000602591992 350130672 /nfs/dbraw/zinc/13/06/72/350130672.db2.gz PKQZBABVWLCDJZ-UHFFFAOYSA-N 1 2 272.352 1.396 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)C[C@]2(CCCOC2)O1 ZINC000602643714 350135689 /nfs/dbraw/zinc/13/56/89/350135689.db2.gz SCGQVTIVOSIISA-CJNGLKHVSA-N 1 2 287.363 1.723 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)C[C@]2(CCCOC2)O1 ZINC000602643714 350135693 /nfs/dbraw/zinc/13/56/93/350135693.db2.gz SCGQVTIVOSIISA-CJNGLKHVSA-N 1 2 287.363 1.723 20 30 CDEDLO C[N@@H+](Cc1cccc(C#N)n1)C[C@@H](O)C(F)(F)F ZINC000602662992 350140067 /nfs/dbraw/zinc/14/00/67/350140067.db2.gz QGXXMUPAFNXODB-SNVBAGLBSA-N 1 2 259.231 1.308 20 30 CDEDLO C[N@H+](Cc1cccc(C#N)n1)C[C@@H](O)C(F)(F)F ZINC000602662992 350140069 /nfs/dbraw/zinc/14/00/69/350140069.db2.gz QGXXMUPAFNXODB-SNVBAGLBSA-N 1 2 259.231 1.308 20 30 CDEDLO CO[C@H]1C[N@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000602897683 350161105 /nfs/dbraw/zinc/16/11/05/350161105.db2.gz NYFAJUGCMOTXQU-CQSZACIVSA-N 1 2 262.309 1.242 20 30 CDEDLO CO[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000602897683 350161109 /nfs/dbraw/zinc/16/11/09/350161109.db2.gz NYFAJUGCMOTXQU-CQSZACIVSA-N 1 2 262.309 1.242 20 30 CDEDLO Cc1cc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)ncc1C#N ZINC000603115519 350199976 /nfs/dbraw/zinc/19/99/76/350199976.db2.gz ZUZQOALGGITWRC-GFCCVEGCSA-N 1 2 296.334 1.017 20 30 CDEDLO N#Cc1cnn(-c2ccccc2)c1NCC[NH+]1CCOCC1 ZINC000603267530 350241610 /nfs/dbraw/zinc/24/16/10/350241610.db2.gz MWDWRBZCULSRRF-UHFFFAOYSA-N 1 2 297.362 1.488 20 30 CDEDLO N#CCCCCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264074136 362959130 /nfs/dbraw/zinc/95/91/30/362959130.db2.gz NAKKQQZCLMCFQB-GFCCVEGCSA-N 1 2 275.356 1.993 20 30 CDEDLO C[C@H](C[NH+]1CCN(C)CC1)Nc1nc2c(cc1C#N)CCC2 ZINC000264389649 366009113 /nfs/dbraw/zinc/00/91/13/366009113.db2.gz KEFBEUTZSMBCTO-CYBMUJFWSA-N 1 2 299.422 1.490 20 30 CDEDLO C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000123336682 187085527 /nfs/dbraw/zinc/08/55/27/187085527.db2.gz WSXXBFQEJNMOIB-RISCZKNCSA-N 1 2 283.335 1.806 20 30 CDEDLO C=CCNC(=O)C[NH+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C ZINC000292136661 198176765 /nfs/dbraw/zinc/17/67/65/198176765.db2.gz IYEDHBPMUYKIIR-CHWSQXEVSA-N 1 2 295.427 1.256 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156499631 188265926 /nfs/dbraw/zinc/26/59/26/188265926.db2.gz NWEVNDKRTGDWTI-STQMWFEESA-N 1 2 252.358 1.296 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156499631 188265928 /nfs/dbraw/zinc/26/59/28/188265928.db2.gz NWEVNDKRTGDWTI-STQMWFEESA-N 1 2 252.358 1.296 20 30 CDEDLO CC(C)C[N@H+](Cc1nnn(C)n1)Cc1ccc(C#N)cc1 ZINC000440703619 366091879 /nfs/dbraw/zinc/09/18/79/366091879.db2.gz RXTVJMGXZGTWMS-UHFFFAOYSA-N 1 2 284.367 1.740 20 30 CDEDLO CC(C)C[N@@H+](Cc1nnn(C)n1)Cc1ccc(C#N)cc1 ZINC000440703619 366091886 /nfs/dbraw/zinc/09/18/86/366091886.db2.gz RXTVJMGXZGTWMS-UHFFFAOYSA-N 1 2 284.367 1.740 20 30 CDEDLO CC(C)CNC(=O)NC(=O)C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000330720236 363257277 /nfs/dbraw/zinc/25/72/77/363257277.db2.gz BKYYDOYCIRDUEA-GFCCVEGCSA-N 1 2 285.388 1.029 20 30 CDEDLO CC(C)CNC(=O)NC(=O)C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000330720236 363257282 /nfs/dbraw/zinc/25/72/82/363257282.db2.gz BKYYDOYCIRDUEA-GFCCVEGCSA-N 1 2 285.388 1.029 20 30 CDEDLO CC[C@H]1C[N@H+](CCNC(=O)[C@@](C)(C#N)CC)CCO1 ZINC000355563758 366116242 /nfs/dbraw/zinc/11/62/42/366116242.db2.gz HASARZBOLMTKAH-GXTWGEPZSA-N 1 2 267.373 1.153 20 30 CDEDLO CC[C@H]1C[N@@H+](CCNC(=O)[C@@](C)(C#N)CC)CCO1 ZINC000355563758 366116249 /nfs/dbraw/zinc/11/62/49/366116249.db2.gz HASARZBOLMTKAH-GXTWGEPZSA-N 1 2 267.373 1.153 20 30 CDEDLO COc1cc[nH+]cc1CNS(=O)(=O)c1ccc(C#N)o1 ZINC000431580090 356156185 /nfs/dbraw/zinc/15/61/85/356156185.db2.gz SEKAHICOKBWTFG-UHFFFAOYSA-N 1 2 293.304 1.033 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000342724271 356143913 /nfs/dbraw/zinc/14/39/13/356143913.db2.gz GJNSHPJOWSZWHO-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000342724271 356143917 /nfs/dbraw/zinc/14/39/17/356143917.db2.gz GJNSHPJOWSZWHO-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO CNC(=O)N1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000273541974 192193528 /nfs/dbraw/zinc/19/35/28/192193528.db2.gz XEWQSNXSYFCGMT-GFCCVEGCSA-N 1 2 272.352 1.576 20 30 CDEDLO CO[C@H]1C[C@@H](C(=O)Nc2cccc3c2OCCO3)[N@H+](C)C1 ZINC000328959868 538443849 /nfs/dbraw/zinc/44/38/49/538443849.db2.gz QDBSUAFITOQEAV-JQWIXIFHSA-N 1 2 292.335 1.765 20 30 CDEDLO Cc1nc(C2(NC(=O)[C@@H]3C[N@H+](C)CCO3)CCCC2)no1 ZINC000329753954 538639493 /nfs/dbraw/zinc/63/94/93/538639493.db2.gz XCMIUMLZPOUDFQ-NSHDSACASA-N 1 2 294.355 1.434 20 30 CDEDLO Cc1nc(C2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CCCC2)no1 ZINC000329753954 538639503 /nfs/dbraw/zinc/63/95/03/538639503.db2.gz XCMIUMLZPOUDFQ-NSHDSACASA-N 1 2 294.355 1.434 20 30 CDEDLO COc1ccc(C[N@H+](C)[C@H](C)CS(C)(=O)=O)cc1C#N ZINC000135072358 357434957 /nfs/dbraw/zinc/43/49/57/357434957.db2.gz AZUDQMZSIYMMSV-LLVKDONJSA-N 1 2 296.392 1.432 20 30 CDEDLO COc1ccc(C[N@@H+](C)[C@H](C)CS(C)(=O)=O)cc1C#N ZINC000135072358 357434962 /nfs/dbraw/zinc/43/49/62/357434962.db2.gz AZUDQMZSIYMMSV-LLVKDONJSA-N 1 2 296.392 1.432 20 30 CDEDLO CCC[N@H+](Cc1ccc(C#N)s1)[C@@H]1CC(=O)N(C)C1=O ZINC000282935002 357512577 /nfs/dbraw/zinc/51/25/77/357512577.db2.gz GASTVGOPUGWXEY-GFCCVEGCSA-N 1 2 291.376 1.589 20 30 CDEDLO CCC[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CC(=O)N(C)C1=O ZINC000282935002 357512583 /nfs/dbraw/zinc/51/25/83/357512583.db2.gz GASTVGOPUGWXEY-GFCCVEGCSA-N 1 2 291.376 1.589 20 30 CDEDLO COCc1noc(CO[NH+]=C(N)c2cccc(Cl)c2)n1 ZINC000183146852 357456677 /nfs/dbraw/zinc/45/66/77/357456677.db2.gz LHPVUVJBJXCWLD-UHFFFAOYSA-N 1 2 296.714 1.707 20 30 CDEDLO Cc1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000286945246 358046121 /nfs/dbraw/zinc/04/61/21/358046121.db2.gz MGCQKHAYVIPCIH-UHFFFAOYSA-N 1 2 283.335 1.572 20 30 CDEDLO C=CCNC(=O)c1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000493640358 366486839 /nfs/dbraw/zinc/48/68/39/366486839.db2.gz HFSNYJNLKPWUMZ-BQYQJAHWSA-N 1 2 296.330 1.977 20 30 CDEDLO C=C1CC[NH+](CC(=O)N[C@@H](C(=O)OC)[C@@H](C)CC)CC1 ZINC000264520356 359312452 /nfs/dbraw/zinc/31/24/52/359312452.db2.gz ZXLZKDMNEJUTTR-GXTWGEPZSA-N 1 2 282.384 1.342 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)NCC#Cc1ccccc1 ZINC000268949826 359366794 /nfs/dbraw/zinc/36/67/94/359366794.db2.gz CXJFZMQFVRQFAE-UHFFFAOYSA-N 1 2 296.374 1.966 20 30 CDEDLO C#CC[N@@H+](CC)[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000267307842 359351234 /nfs/dbraw/zinc/35/12/34/359351234.db2.gz LYVJPRYOJFSTEZ-LBPRGKRZSA-N 1 2 285.347 1.315 20 30 CDEDLO C#CC[N@H+](CC)[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000267307842 359351239 /nfs/dbraw/zinc/35/12/39/359351239.db2.gz LYVJPRYOJFSTEZ-LBPRGKRZSA-N 1 2 285.347 1.315 20 30 CDEDLO CN1CC[C@@H]([N@H+](C)CC#Cc2ccc(Cl)cc2)C1=O ZINC000267432864 359351884 /nfs/dbraw/zinc/35/18/84/359351884.db2.gz ZEJHEQSRCNWACU-CQSZACIVSA-N 1 2 276.767 1.854 20 30 CDEDLO CN1CC[C@@H]([N@@H+](C)CC#Cc2ccc(Cl)cc2)C1=O ZINC000267432864 359351889 /nfs/dbraw/zinc/35/18/89/359351889.db2.gz ZEJHEQSRCNWACU-CQSZACIVSA-N 1 2 276.767 1.854 20 30 CDEDLO C=C(C)[C@H](CC(=O)N[C@@H](C)Cn1cc[nH+]c1)OCC ZINC000270048571 359383690 /nfs/dbraw/zinc/38/36/90/359383690.db2.gz QPOOBCZDYYSHGU-STQMWFEESA-N 1 2 265.357 1.759 20 30 CDEDLO C=CCCOCCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000270256340 359393797 /nfs/dbraw/zinc/39/37/97/359393797.db2.gz PYLACHFXRZAGDP-UHFFFAOYSA-N 1 2 273.336 1.586 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3)n2CC)CC1 ZINC000270483247 359399105 /nfs/dbraw/zinc/39/91/05/359399105.db2.gz PSIJZUIZQIATOW-UHFFFAOYSA-N 1 2 295.390 1.720 20 30 CDEDLO C=CCCCCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000274513635 359510576 /nfs/dbraw/zinc/51/05/76/359510576.db2.gz NHCOXQJOFAPPLL-GFCCVEGCSA-N 1 2 250.346 1.927 20 30 CDEDLO CC#CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000277365130 359559936 /nfs/dbraw/zinc/55/99/36/359559936.db2.gz GDNLXTNHGVDCLN-UXBLZVDNSA-N 1 2 268.360 1.867 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(c2nc(C(=O)OCC)n[nH]2)CC1 ZINC000277755524 359573770 /nfs/dbraw/zinc/57/37/70/359573770.db2.gz LXLYXWHVIHAPAW-UHFFFAOYSA-N 1 2 298.774 1.913 20 30 CDEDLO CC#CCN(C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000297459035 200197884 /nfs/dbraw/zinc/19/78/84/200197884.db2.gz VURPUZYHBUTOHX-ZDUSSCGKSA-N 1 2 272.352 1.325 20 30 CDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1c[nH+]c[nH]1 ZINC000088753644 366557369 /nfs/dbraw/zinc/55/73/69/366557369.db2.gz UZBGAAMUDJFVIU-JTQLQIEISA-N 1 2 270.292 1.365 20 30 CDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1c[nH]c[nH+]1 ZINC000088753644 366557373 /nfs/dbraw/zinc/55/73/73/366557373.db2.gz UZBGAAMUDJFVIU-JTQLQIEISA-N 1 2 270.292 1.365 20 30 CDEDLO C=CC[NH+](CC=C)[C@@H](C(=O)OC)C1(OC)CCC1 ZINC000297923717 200305860 /nfs/dbraw/zinc/30/58/60/200305860.db2.gz QQWIVCRTLCTHAT-LBPRGKRZSA-N 1 2 253.342 1.771 20 30 CDEDLO Cc1cccc(CCNc2nc3c(cc2C#N)COCC3)[nH+]1 ZINC000562532777 360097640 /nfs/dbraw/zinc/09/76/40/360097640.db2.gz PVUMNFVMFMCGPP-UHFFFAOYSA-N 1 2 294.358 1.806 20 30 CDEDLO N#CC1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCC1 ZINC000335493867 360264102 /nfs/dbraw/zinc/26/41/02/360264102.db2.gz ZBBHSLQWTXHWIA-LLVKDONJSA-N 1 2 258.325 1.256 20 30 CDEDLO C=CCCCCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000348597831 360397659 /nfs/dbraw/zinc/39/76/59/360397659.db2.gz UCYKBIYTVSTYLW-NSHDSACASA-N 1 2 262.313 1.229 20 30 CDEDLO C=CCCCCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000348597831 360397665 /nfs/dbraw/zinc/39/76/65/360397665.db2.gz UCYKBIYTVSTYLW-NSHDSACASA-N 1 2 262.313 1.229 20 30 CDEDLO C=CCCn1cc(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)nn1 ZINC000425283274 360619363 /nfs/dbraw/zinc/61/93/63/360619363.db2.gz ORUJHXGILLULNP-LBPRGKRZSA-N 1 2 288.355 1.704 20 30 CDEDLO C=CC[N@@H+](CCC#N)Cc1ccc2c(c1)nnn2C ZINC000428851278 360726846 /nfs/dbraw/zinc/72/68/46/360726846.db2.gz QVYWWMSMOLZZJM-UHFFFAOYSA-N 1 2 255.325 1.870 20 30 CDEDLO C=CC[N@H+](CCC#N)Cc1ccc2c(c1)nnn2C ZINC000428851278 360726850 /nfs/dbraw/zinc/72/68/50/360726850.db2.gz QVYWWMSMOLZZJM-UHFFFAOYSA-N 1 2 255.325 1.870 20 30 CDEDLO C=CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000104725074 360878496 /nfs/dbraw/zinc/87/84/96/360878496.db2.gz SVCTXQGNQYPYLY-CYBMUJFWSA-N 1 2 298.383 1.754 20 30 CDEDLO C=CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000104725074 360878499 /nfs/dbraw/zinc/87/84/99/360878499.db2.gz SVCTXQGNQYPYLY-CYBMUJFWSA-N 1 2 298.383 1.754 20 30 CDEDLO N#Cc1ccc(CC(=O)NCC2([NH+]3CCOCC3)CC2)cc1 ZINC000277849475 360945561 /nfs/dbraw/zinc/94/55/61/360945561.db2.gz JGLYLJHUHHNGCZ-UHFFFAOYSA-N 1 2 299.374 1.082 20 30 CDEDLO CC[N@@H+](CC(=O)N(C)Cc1ccco1)C[C@H](C)C#N ZINC000157681189 360951455 /nfs/dbraw/zinc/95/14/55/360951455.db2.gz ARFLZTICRGJSET-GFCCVEGCSA-N 1 2 263.341 1.720 20 30 CDEDLO CC[N@H+](CC(=O)N(C)Cc1ccco1)C[C@H](C)C#N ZINC000157681189 360951460 /nfs/dbraw/zinc/95/14/60/360951460.db2.gz ARFLZTICRGJSET-GFCCVEGCSA-N 1 2 263.341 1.720 20 30 CDEDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000274251207 360981733 /nfs/dbraw/zinc/98/17/33/360981733.db2.gz ZTXAEZOAOSJMPG-CQSZACIVSA-N 1 2 278.377 1.567 20 30 CDEDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000274251207 360981737 /nfs/dbraw/zinc/98/17/37/360981737.db2.gz ZTXAEZOAOSJMPG-CQSZACIVSA-N 1 2 278.377 1.567 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247350994 361073547 /nfs/dbraw/zinc/07/35/47/361073547.db2.gz OAEUSTVWHGHREM-HUUCEWRRSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247350994 361073551 /nfs/dbraw/zinc/07/35/51/361073551.db2.gz OAEUSTVWHGHREM-HUUCEWRRSA-N 1 2 296.411 1.291 20 30 CDEDLO C[C@H]1C[C@H](C)CN(C(=O)C[N@H+](C)CC(C)(C)C#N)C1 ZINC000433295878 361229008 /nfs/dbraw/zinc/22/90/08/361229008.db2.gz QMYSVZPHLNMNOQ-STQMWFEESA-N 1 2 265.401 1.972 20 30 CDEDLO C[C@H]1C[C@H](C)CN(C(=O)C[N@@H+](C)CC(C)(C)C#N)C1 ZINC000433295878 361229010 /nfs/dbraw/zinc/22/90/10/361229010.db2.gz QMYSVZPHLNMNOQ-STQMWFEESA-N 1 2 265.401 1.972 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@H+](CCOc2ccccc2C#N)C1 ZINC000267613768 361229156 /nfs/dbraw/zinc/22/91/56/361229156.db2.gz BZPRSLHIGJXRCK-HNNXBMFYSA-N 1 2 292.310 1.524 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000267613768 361229158 /nfs/dbraw/zinc/22/91/58/361229158.db2.gz BZPRSLHIGJXRCK-HNNXBMFYSA-N 1 2 292.310 1.524 20 30 CDEDLO C=CCSCCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433605677 361254374 /nfs/dbraw/zinc/25/43/74/361254374.db2.gz AIPRDDBYEPUOQN-UHFFFAOYSA-N 1 2 299.440 1.070 20 30 CDEDLO CC(C)[C@@H]1C[C@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)CCO1 ZINC000566309909 370680399 /nfs/dbraw/zinc/68/03/99/370680399.db2.gz XKHRMNMVHKGEMK-YCPHGPKFSA-N 1 2 295.427 1.788 20 30 CDEDLO CN(C[C@@H](O)C[N@H+](C)CCC#N)C(=O)OC(C)(C)C ZINC000496365448 366787948 /nfs/dbraw/zinc/78/79/48/366787948.db2.gz PNVBHQPBWNJBQY-NSHDSACASA-N 1 2 271.361 1.060 20 30 CDEDLO CN(C[C@@H](O)C[N@@H+](C)CCC#N)C(=O)OC(C)(C)C ZINC000496365448 366787953 /nfs/dbraw/zinc/78/79/53/366787953.db2.gz PNVBHQPBWNJBQY-NSHDSACASA-N 1 2 271.361 1.060 20 30 CDEDLO N#Cc1nc(NC[C@@H]2C[NH+]3CCN2CC3)ccc1Cl ZINC000301758984 201180173 /nfs/dbraw/zinc/18/01/73/201180173.db2.gz FKGYYAIXMYSTPQ-SNVBAGLBSA-N 1 2 277.759 1.018 20 30 CDEDLO N#Cc1nc(NC[C@@H]2CN3CC[NH+]2CC3)ccc1Cl ZINC000301758984 201180177 /nfs/dbraw/zinc/18/01/77/201180177.db2.gz FKGYYAIXMYSTPQ-SNVBAGLBSA-N 1 2 277.759 1.018 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCOCC2(CC2)C1)C1CC1 ZINC000329472432 361523435 /nfs/dbraw/zinc/52/34/35/361523435.db2.gz SGVKRXHUEBYMJX-CQSZACIVSA-N 1 2 277.368 1.748 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCOCC2(CC2)C1)C1CC1 ZINC000329472432 361523440 /nfs/dbraw/zinc/52/34/40/361523440.db2.gz SGVKRXHUEBYMJX-CQSZACIVSA-N 1 2 277.368 1.748 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000570686274 363881293 /nfs/dbraw/zinc/88/12/93/363881293.db2.gz BKVXGGOGKSCYAP-CQSZACIVSA-N 1 2 290.754 1.785 20 30 CDEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)s2)C[C@H](C)[N@H+]1CCO ZINC000456205278 364013843 /nfs/dbraw/zinc/01/38/43/364013843.db2.gz BJMUUYZJGOJYLF-PHIMTYICSA-N 1 2 293.392 1.147 20 30 CDEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)s2)C[C@H](C)[N@@H+]1CCO ZINC000456205278 364013846 /nfs/dbraw/zinc/01/38/46/364013846.db2.gz BJMUUYZJGOJYLF-PHIMTYICSA-N 1 2 293.392 1.147 20 30 CDEDLO Cc1cc(N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000582356340 364081057 /nfs/dbraw/zinc/08/10/57/364081057.db2.gz OGEJYRKPLVGMBH-OLZOCXBDSA-N 1 2 293.392 1.451 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000490674614 364170877 /nfs/dbraw/zinc/17/08/77/364170877.db2.gz CFZYIYHTRIBNFO-GJZGRUSLSA-N 1 2 260.381 1.734 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000490674614 364170885 /nfs/dbraw/zinc/17/08/85/364170885.db2.gz CFZYIYHTRIBNFO-GJZGRUSLSA-N 1 2 260.381 1.734 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2CCC#N)O1 ZINC000374572800 370728718 /nfs/dbraw/zinc/72/87/18/370728718.db2.gz RBTNZJAJUQKSEL-KKOKHZNYSA-N 1 2 252.314 1.083 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2CCC#N)O1 ZINC000374572800 370728726 /nfs/dbraw/zinc/72/87/26/370728726.db2.gz RBTNZJAJUQKSEL-KKOKHZNYSA-N 1 2 252.314 1.083 20 30 CDEDLO C[C@@H](NC(=O)c1cccc(C#N)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000264194969 364472322 /nfs/dbraw/zinc/47/23/22/364472322.db2.gz CTAKXQOTTXMJFA-CHWSQXEVSA-N 1 2 287.363 1.397 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H](CO)O1 ZINC000249378317 364598912 /nfs/dbraw/zinc/59/89/12/364598912.db2.gz PZXOPJVVIXDICF-ZJUUUORDSA-N 1 2 252.339 1.201 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H](CO)O1 ZINC000249378317 364598917 /nfs/dbraw/zinc/59/89/17/364598917.db2.gz PZXOPJVVIXDICF-ZJUUUORDSA-N 1 2 252.339 1.201 20 30 CDEDLO N#C[C@@H]1[N@H+](CC[C@H]2CCNC2=O)CCC[C@@]12CCCCO2 ZINC000580090678 364607746 /nfs/dbraw/zinc/60/77/46/364607746.db2.gz GBPNEJTYKGKHIP-YCPHGPKFSA-N 1 2 291.395 1.440 20 30 CDEDLO N#C[C@@H]1[N@@H+](CC[C@H]2CCNC2=O)CCC[C@@]12CCCCO2 ZINC000580090678 364607748 /nfs/dbraw/zinc/60/77/48/364607748.db2.gz GBPNEJTYKGKHIP-YCPHGPKFSA-N 1 2 291.395 1.440 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000249532411 364838795 /nfs/dbraw/zinc/83/87/95/364838795.db2.gz BFVORRSFOFYLAL-SMDDNHRTSA-N 1 2 287.363 1.653 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000249532411 364838800 /nfs/dbraw/zinc/83/88/00/364838800.db2.gz BFVORRSFOFYLAL-SMDDNHRTSA-N 1 2 287.363 1.653 20 30 CDEDLO N#CCC[NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000562993294 364991978 /nfs/dbraw/zinc/99/19/78/364991978.db2.gz DAYGAAWWSMYFHM-JTQLQIEISA-N 1 2 263.728 1.949 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCCN(C)c2ccccc2)nn1 ZINC000641197530 365202116 /nfs/dbraw/zinc/20/21/16/365202116.db2.gz BNKQXOHMVLQSNK-UHFFFAOYSA-N 1 2 297.406 1.918 20 30 CDEDLO Cc1cccc(O[C@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000567008882 370857711 /nfs/dbraw/zinc/85/77/11/370857711.db2.gz FIWXSNDUSICCSS-CZUORRHYSA-N 1 2 289.379 1.722 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)CCC(=O)NCC(=O)c1ccccc1 ZINC000358060527 367400724 /nfs/dbraw/zinc/40/07/24/367400724.db2.gz GPQQGEHUHTXELM-ZDUSSCGKSA-N 1 2 287.363 1.467 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)CCC(=O)NCC(=O)c1ccccc1 ZINC000358060527 367400731 /nfs/dbraw/zinc/40/07/31/367400731.db2.gz GPQQGEHUHTXELM-ZDUSSCGKSA-N 1 2 287.363 1.467 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)N[C@@]3(C#N)CCOC3)cc2n1C ZINC000526017015 367759135 /nfs/dbraw/zinc/75/91/35/367759135.db2.gz INTCKRFZIIUIBS-OAHLLOKOSA-N 1 2 284.319 1.294 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2cc(C)ccc2C)CC1 ZINC000128390973 368418355 /nfs/dbraw/zinc/41/83/55/368418355.db2.gz DBDVEWGVCGJHQB-UHFFFAOYSA-N 1 2 286.375 1.460 20 30 CDEDLO C[C@H](Oc1ccccc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000564872062 370283117 /nfs/dbraw/zinc/28/31/17/370283117.db2.gz KXLXMSBENNGNJA-WFASDCNBSA-N 1 2 275.352 1.414 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000292786105 370390216 /nfs/dbraw/zinc/39/02/16/370390216.db2.gz LBZUOGJGVSPZCJ-UHFFFAOYSA-N 1 2 275.352 1.042 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000565665297 370503783 /nfs/dbraw/zinc/50/37/83/370503783.db2.gz JURLWTDAMOLKRJ-NSHDSACASA-N 1 2 276.296 1.476 20 30 CDEDLO COc1ccc(Cl)cc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000565751377 370520351 /nfs/dbraw/zinc/52/03/51/370520351.db2.gz QGVPIFLRVQINMH-AWEZNQCLSA-N 1 2 295.770 1.922 20 30 CDEDLO Cc1ccccc1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000567558315 371031546 /nfs/dbraw/zinc/03/15/46/371031546.db2.gz GJAHFJRKOOOSHK-HNNXBMFYSA-N 1 2 259.353 1.498 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1ccsc1 ZINC000573420344 371535635 /nfs/dbraw/zinc/53/56/35/371535635.db2.gz ZZVPBAMSZMWCAX-CYBMUJFWSA-N 1 2 265.382 1.641 20 30 CDEDLO C=C[C@](C)(CCOC)c1nc([C@@H]2C[N@H+](C)CCN2C)no1 ZINC000350075959 372276910 /nfs/dbraw/zinc/27/69/10/372276910.db2.gz RPDCYDLGYPBRJH-SWLSCSKDSA-N 1 2 294.399 1.468 20 30 CDEDLO C=C[C@](C)(CCOC)c1nc([C@@H]2C[N@@H+](C)CCN2C)no1 ZINC000350075959 372276921 /nfs/dbraw/zinc/27/69/21/372276921.db2.gz RPDCYDLGYPBRJH-SWLSCSKDSA-N 1 2 294.399 1.468 20 30 CDEDLO CC(C)c1nc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cs1 ZINC000579543821 372589616 /nfs/dbraw/zinc/58/96/16/372589616.db2.gz MIWYOVJKZZTGGR-CYBMUJFWSA-N 1 2 280.397 1.840 20 30 CDEDLO CC1(C)C[N@H+](CCNC(=O)C#Cc2ccccc2)CCO1 ZINC000176176541 372724940 /nfs/dbraw/zinc/72/49/40/372724940.db2.gz CNSBJGWSHYSXNO-UHFFFAOYSA-N 1 2 286.375 1.265 20 30 CDEDLO CC1(C)C[N@@H+](CCNC(=O)C#Cc2ccccc2)CCO1 ZINC000176176541 372724945 /nfs/dbraw/zinc/72/49/45/372724945.db2.gz CNSBJGWSHYSXNO-UHFFFAOYSA-N 1 2 286.375 1.265 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)c1cc(C#N)oc1C ZINC000348300125 373100803 /nfs/dbraw/zinc/10/08/03/373100803.db2.gz IKDBTMGTUUITEV-UHFFFAOYSA-N 1 2 271.276 1.793 20 30 CDEDLO CCS(=O)(=O)CCCCC[N@H+](C)[C@@H](C)CC#N ZINC000190693805 373399483 /nfs/dbraw/zinc/39/94/83/373399483.db2.gz PBWSMOQLXXZMJK-LBPRGKRZSA-N 1 2 260.403 1.825 20 30 CDEDLO CCS(=O)(=O)CCCCC[N@@H+](C)[C@@H](C)CC#N ZINC000190693805 373399489 /nfs/dbraw/zinc/39/94/89/373399489.db2.gz PBWSMOQLXXZMJK-LBPRGKRZSA-N 1 2 260.403 1.825 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1nccc(OC)c1OC ZINC000191114959 373450709 /nfs/dbraw/zinc/45/07/09/373450709.db2.gz XRBZVVCQYJOIBF-UHFFFAOYSA-N 1 2 266.341 1.733 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1nccc(OC)c1OC ZINC000191114959 373450711 /nfs/dbraw/zinc/45/07/11/373450711.db2.gz XRBZVVCQYJOIBF-UHFFFAOYSA-N 1 2 266.341 1.733 20 30 CDEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc(Cl)cn1 ZINC000191110039 373450855 /nfs/dbraw/zinc/45/08/55/373450855.db2.gz RTTFEKZNHRFOFU-UHFFFAOYSA-N 1 2 283.759 1.808 20 30 CDEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc(Cl)cn1 ZINC000191110039 373450864 /nfs/dbraw/zinc/45/08/64/373450864.db2.gz RTTFEKZNHRFOFU-UHFFFAOYSA-N 1 2 283.759 1.808 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@](F)(C#N)C1 ZINC000615595918 373498284 /nfs/dbraw/zinc/49/82/84/373498284.db2.gz VLJSXWXLHLTWRB-OAHLLOKOSA-N 1 2 286.310 1.809 20 30 CDEDLO CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000130860292 373757922 /nfs/dbraw/zinc/75/79/22/373757922.db2.gz PWMGNQIURZTMCP-HNNXBMFYSA-N 1 2 294.358 1.976 20 30 CDEDLO CN(C)c1[nH+]cccc1NC(=O)c1cnn(C)c1C#N ZINC000355038084 373819650 /nfs/dbraw/zinc/81/96/50/373819650.db2.gz MNIAZTAACOLYPX-UHFFFAOYSA-N 1 2 270.296 1.005 20 30 CDEDLO COC(=O)[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)C[C@H]1C ZINC000356423311 373846110 /nfs/dbraw/zinc/84/61/10/373846110.db2.gz KTWBSPNZKNFEOD-MWLCHTKSSA-N 1 2 279.365 1.646 20 30 CDEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)C[C@H]1C ZINC000356423311 373846112 /nfs/dbraw/zinc/84/61/12/373846112.db2.gz KTWBSPNZKNFEOD-MWLCHTKSSA-N 1 2 279.365 1.646 20 30 CDEDLO COc1csc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000584532807 373946053 /nfs/dbraw/zinc/94/60/53/373946053.db2.gz GYDQWLFUBNTDKG-GFCCVEGCSA-N 1 2 267.354 1.330 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000360253217 374007667 /nfs/dbraw/zinc/00/76/67/374007667.db2.gz YOEVFJCTBXNNCQ-OAHLLOKOSA-N 1 2 287.363 1.285 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000360253217 374007675 /nfs/dbraw/zinc/00/76/75/374007675.db2.gz YOEVFJCTBXNNCQ-OAHLLOKOSA-N 1 2 287.363 1.285 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCC[C@]12CCNC2=O ZINC000514737635 374108107 /nfs/dbraw/zinc/10/81/07/374108107.db2.gz PWKMJQAHPFOLFL-OAHLLOKOSA-N 1 2 255.321 1.413 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@]12CCNC2=O ZINC000514737635 374108117 /nfs/dbraw/zinc/10/81/17/374108117.db2.gz PWKMJQAHPFOLFL-OAHLLOKOSA-N 1 2 255.321 1.413 20 30 CDEDLO COCC[N@H+](CC(=O)NC(C)C)Cc1ccc(C#N)cc1 ZINC000063754397 374207815 /nfs/dbraw/zinc/20/78/15/374207815.db2.gz CJXNMZLTLPWWMC-UHFFFAOYSA-N 1 2 289.379 1.531 20 30 CDEDLO COCC[N@@H+](CC(=O)NC(C)C)Cc1ccc(C#N)cc1 ZINC000063754397 374207819 /nfs/dbraw/zinc/20/78/19/374207819.db2.gz CJXNMZLTLPWWMC-UHFFFAOYSA-N 1 2 289.379 1.531 20 30 CDEDLO CO[C@H]1CCC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000076345800 374219167 /nfs/dbraw/zinc/21/91/67/374219167.db2.gz OHLHQNQQIFJFAT-LBPRGKRZSA-N 1 2 291.351 1.817 20 30 CDEDLO CO[C@H]1CCC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000076345800 374219172 /nfs/dbraw/zinc/21/91/72/374219172.db2.gz OHLHQNQQIFJFAT-LBPRGKRZSA-N 1 2 291.351 1.817 20 30 CDEDLO CCN(CCOC)c1cccc(Cn2cnc(C#N)n2)[nH+]1 ZINC000351561551 374255334 /nfs/dbraw/zinc/25/53/34/374255334.db2.gz ZAIXPUOOYIEECJ-UHFFFAOYSA-N 1 2 286.339 1.066 20 30 CDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000524375476 374292425 /nfs/dbraw/zinc/29/24/25/374292425.db2.gz UZMPAMXTYJFEJP-LBPRGKRZSA-N 1 2 296.330 1.606 20 30 CDEDLO N#Cc1ccc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)cn1 ZINC000369085224 374346127 /nfs/dbraw/zinc/34/61/27/374346127.db2.gz RBYIRTHHWJGNDZ-AWEZNQCLSA-N 1 2 283.335 1.626 20 30 CDEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC)CCO1 ZINC000528723573 374455417 /nfs/dbraw/zinc/45/54/17/374455417.db2.gz KQZKFJWHXKAAKV-HNNXBMFYSA-N 1 2 290.363 1.804 20 30 CDEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC)CCO1 ZINC000528723573 374455422 /nfs/dbraw/zinc/45/54/22/374455422.db2.gz KQZKFJWHXKAAKV-HNNXBMFYSA-N 1 2 290.363 1.804 20 30 CDEDLO Cn1c[nH+]c2c1CCN(Cc1cc(F)ccc1C#N)C2 ZINC000378111372 374633028 /nfs/dbraw/zinc/63/30/28/374633028.db2.gz NLQTWAVAFLRAIC-UHFFFAOYSA-N 1 2 270.311 1.989 20 30 CDEDLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC[S@@](=O)C1 ZINC000277449049 374787978 /nfs/dbraw/zinc/78/79/78/374787978.db2.gz LVIZPTUVMQTYNQ-ASNKJTAVSA-N 1 2 292.404 1.292 20 30 CDEDLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC[S@@](=O)C1 ZINC000277449049 374787981 /nfs/dbraw/zinc/78/79/81/374787981.db2.gz LVIZPTUVMQTYNQ-ASNKJTAVSA-N 1 2 292.404 1.292 20 30 CDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](O)C2)c(C#N)c1C ZINC000330426816 374852867 /nfs/dbraw/zinc/85/28/67/374852867.db2.gz WSISDWUSHBXONZ-GXSJLCMTSA-N 1 2 277.324 1.162 20 30 CDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](O)C2)c(C#N)c1C ZINC000330426816 374852873 /nfs/dbraw/zinc/85/28/73/374852873.db2.gz WSISDWUSHBXONZ-GXSJLCMTSA-N 1 2 277.324 1.162 20 30 CDEDLO N#Cc1ccc(CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000350765448 375241910 /nfs/dbraw/zinc/24/19/10/375241910.db2.gz GGPMKCWMAGMRJO-UHFFFAOYSA-N 1 2 254.293 1.530 20 30 CDEDLO N#Cc1ccc(CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000350765448 375241918 /nfs/dbraw/zinc/24/19/18/375241918.db2.gz GGPMKCWMAGMRJO-UHFFFAOYSA-N 1 2 254.293 1.530 20 30 CDEDLO N#CCCN(CC1CC1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000132107655 375479468 /nfs/dbraw/zinc/47/94/68/375479468.db2.gz YSAGRBLAJOOSKJ-ZDUSSCGKSA-N 1 2 272.352 1.598 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(C)ccn2)C1=O ZINC000685004099 483067544 /nfs/dbraw/zinc/06/75/44/483067544.db2.gz CQWALYZHMIBJBX-AWEZNQCLSA-N 1 2 259.353 1.609 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(C)ccn2)C1=O ZINC000685004099 483067549 /nfs/dbraw/zinc/06/75/49/483067549.db2.gz CQWALYZHMIBJBX-AWEZNQCLSA-N 1 2 259.353 1.609 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065427254 376131802 /nfs/dbraw/zinc/13/18/02/376131802.db2.gz MNGQHLKUFDXWKN-CYBMUJFWSA-N 1 2 266.385 1.686 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065427254 376131810 /nfs/dbraw/zinc/13/18/10/376131810.db2.gz MNGQHLKUFDXWKN-CYBMUJFWSA-N 1 2 266.385 1.686 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246123084 376395801 /nfs/dbraw/zinc/39/58/01/376395801.db2.gz VRWGISPLABOLOW-DGCLKSJQSA-N 1 2 293.323 1.568 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246123084 376395808 /nfs/dbraw/zinc/39/58/08/376395808.db2.gz VRWGISPLABOLOW-DGCLKSJQSA-N 1 2 293.323 1.568 20 30 CDEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000375697213 376481938 /nfs/dbraw/zinc/48/19/38/376481938.db2.gz MBWQQOHXNWVVOM-QWRGUYRKSA-N 1 2 297.384 1.025 20 30 CDEDLO N#Cc1nccnc1NCc1ccn2cc[nH+]c2c1 ZINC000354378126 376692337 /nfs/dbraw/zinc/69/23/37/376692337.db2.gz AGNQAWGVQMJTTJ-UHFFFAOYSA-N 1 2 250.265 1.608 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000072979170 376822507 /nfs/dbraw/zinc/82/25/07/376822507.db2.gz XWVXCJURXMWGKG-AWEZNQCLSA-N 1 2 281.400 1.495 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCOC[C@@H]1CC(C)C ZINC000072979170 376822516 /nfs/dbraw/zinc/82/25/16/376822516.db2.gz XWVXCJURXMWGKG-AWEZNQCLSA-N 1 2 281.400 1.495 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N(C)Cc1cccc(OC)c1 ZINC000076185984 377465505 /nfs/dbraw/zinc/46/55/05/377465505.db2.gz UHWCZIBFWAGBKY-UHFFFAOYSA-N 1 2 284.359 1.222 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCCCOC ZINC000250057985 377488559 /nfs/dbraw/zinc/48/85/59/377488559.db2.gz ZAEGLWNDTIHXSZ-VXGBXAGGSA-N 1 2 255.362 1.009 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCCCOC ZINC000250057985 377488567 /nfs/dbraw/zinc/48/85/67/377488567.db2.gz ZAEGLWNDTIHXSZ-VXGBXAGGSA-N 1 2 255.362 1.009 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000129997669 377496065 /nfs/dbraw/zinc/49/60/65/377496065.db2.gz DBNNYHBVFBXYIQ-GJZGRUSLSA-N 1 2 274.364 1.487 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000129997669 377496072 /nfs/dbraw/zinc/49/60/72/377496072.db2.gz DBNNYHBVFBXYIQ-GJZGRUSLSA-N 1 2 274.364 1.487 20 30 CDEDLO C=C(C)C[NH2+][C@H](C(=O)OC)[C@@H]1CCC[C@H](OC)C1 ZINC000572125348 377721647 /nfs/dbraw/zinc/72/16/47/377721647.db2.gz YADNWGWNPGCOPY-AGIUHOORSA-N 1 2 255.358 1.899 20 30 CDEDLO CC#CC[C@@H](CO)Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000645404873 378152726 /nfs/dbraw/zinc/15/27/26/378152726.db2.gz QVGMMQKDMJXQRO-LBPRGKRZSA-N 1 2 292.408 1.216 20 30 CDEDLO CC#CC[C@@H](CO)Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000645404873 378152730 /nfs/dbraw/zinc/15/27/30/378152730.db2.gz QVGMMQKDMJXQRO-LBPRGKRZSA-N 1 2 292.408 1.216 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000287217307 378248626 /nfs/dbraw/zinc/24/86/26/378248626.db2.gz GNXLJTYCKYPWAQ-CQSZACIVSA-N 1 2 295.386 1.985 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000287217307 378248630 /nfs/dbraw/zinc/24/86/30/378248630.db2.gz GNXLJTYCKYPWAQ-CQSZACIVSA-N 1 2 295.386 1.985 20 30 CDEDLO C[C@H]1C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000245531498 378395735 /nfs/dbraw/zinc/39/57/35/378395735.db2.gz TUQHVMRGKMYYII-BBRMVZONSA-N 1 2 299.374 1.774 20 30 CDEDLO C[C@H]1C[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000245531498 378395740 /nfs/dbraw/zinc/39/57/40/378395740.db2.gz TUQHVMRGKMYYII-BBRMVZONSA-N 1 2 299.374 1.774 20 30 CDEDLO C=CC(C)(C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000294186891 378618180 /nfs/dbraw/zinc/61/81/80/378618180.db2.gz AXUHKDKUYLKPAN-UHFFFAOYSA-N 1 2 289.379 1.747 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2c(C)nn(C)c2C)n1 ZINC000278724085 194123206 /nfs/dbraw/zinc/12/32/06/194123206.db2.gz AHCXMLMNXFCUAM-UHFFFAOYSA-N 1 2 285.395 1.889 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2c(C)nn(C)c2C)n1 ZINC000278724085 194123208 /nfs/dbraw/zinc/12/32/08/194123208.db2.gz AHCXMLMNXFCUAM-UHFFFAOYSA-N 1 2 285.395 1.889 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000278781663 194152708 /nfs/dbraw/zinc/15/27/08/194152708.db2.gz XSCJRMJDVNJEHW-MRXNPFEDSA-N 1 2 289.379 1.625 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)c1cccc(F)c1C#N ZINC000278818458 194167172 /nfs/dbraw/zinc/16/71/72/194167172.db2.gz IXCOLDOPRQVOSX-LBPRGKRZSA-N 1 2 277.343 1.854 20 30 CDEDLO C#Cc1ccc(C[N@@H+](CC=C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000278903074 194203927 /nfs/dbraw/zinc/20/39/27/194203927.db2.gz IXVWGMJVUVAUKP-MRXNPFEDSA-N 1 2 289.400 1.843 20 30 CDEDLO C#Cc1ccc(C[N@H+](CC=C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000278903074 194203928 /nfs/dbraw/zinc/20/39/28/194203928.db2.gz IXVWGMJVUVAUKP-MRXNPFEDSA-N 1 2 289.400 1.843 20 30 CDEDLO C#CC(C)(C)[N@H+](C)CCS(=O)(=O)c1ccccc1 ZINC000279208823 194332465 /nfs/dbraw/zinc/33/24/65/194332465.db2.gz GTOAXLOVSQLMEW-UHFFFAOYSA-N 1 2 265.378 1.804 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)CCS(=O)(=O)c1ccccc1 ZINC000279208823 194332467 /nfs/dbraw/zinc/33/24/67/194332467.db2.gz GTOAXLOVSQLMEW-UHFFFAOYSA-N 1 2 265.378 1.804 20 30 CDEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2cccc(C#N)n2)C1 ZINC000450540173 251329528 /nfs/dbraw/zinc/32/95/28/251329528.db2.gz NYPPDNWNYSRRPP-LBPRGKRZSA-N 1 2 288.351 1.250 20 30 CDEDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2cccc(C#N)n2)C1 ZINC000450540173 251329530 /nfs/dbraw/zinc/32/95/30/251329530.db2.gz NYPPDNWNYSRRPP-LBPRGKRZSA-N 1 2 288.351 1.250 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NCCCCC)C1=O ZINC000281208825 195149302 /nfs/dbraw/zinc/14/93/02/195149302.db2.gz CZAZJXLNCJLEKH-KGLIPLIRSA-N 1 2 295.427 1.400 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)NCCCCC)C1=O ZINC000281208825 195149304 /nfs/dbraw/zinc/14/93/04/195149304.db2.gz CZAZJXLNCJLEKH-KGLIPLIRSA-N 1 2 295.427 1.400 20 30 CDEDLO C=CCCCCC[N@@H+](C)Cc1nnc2n1CCOC2 ZINC000281240940 195163662 /nfs/dbraw/zinc/16/36/62/195163662.db2.gz IOMDMGDPYCQLKM-UHFFFAOYSA-N 1 2 264.373 1.987 20 30 CDEDLO C=CCCCCC[N@H+](C)Cc1nnc2n1CCOC2 ZINC000281240940 195163664 /nfs/dbraw/zinc/16/36/64/195163664.db2.gz IOMDMGDPYCQLKM-UHFFFAOYSA-N 1 2 264.373 1.987 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cccc3c2OCO3)C1=O ZINC000281322073 195196729 /nfs/dbraw/zinc/19/67/29/195196729.db2.gz RJLQJUBFXGYJLK-CYBMUJFWSA-N 1 2 288.347 1.634 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cccc3c2OCO3)C1=O ZINC000281322073 195196733 /nfs/dbraw/zinc/19/67/33/195196733.db2.gz RJLQJUBFXGYJLK-CYBMUJFWSA-N 1 2 288.347 1.634 20 30 CDEDLO CN1CC[N@H+](CCNc2ccc(C#N)cn2)CC1(C)C ZINC000281677351 195332783 /nfs/dbraw/zinc/33/27/83/195332783.db2.gz QKOXWIOOXUPHGQ-UHFFFAOYSA-N 1 2 273.384 1.391 20 30 CDEDLO CN1CC[N@@H+](CCNc2ccc(C#N)cn2)CC1(C)C ZINC000281677351 195332785 /nfs/dbraw/zinc/33/27/85/195332785.db2.gz QKOXWIOOXUPHGQ-UHFFFAOYSA-N 1 2 273.384 1.391 20 30 CDEDLO C[C@@H](CC#N)N(C)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000103442270 390478031 /nfs/dbraw/zinc/47/80/31/390478031.db2.gz RKSUCCXQPVFDKX-NSHDSACASA-N 1 2 256.309 1.637 20 30 CDEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](O)C1 ZINC000114470139 390806962 /nfs/dbraw/zinc/80/69/62/390806962.db2.gz SIGKDDMVXLCOQN-NSHDSACASA-N 1 2 291.376 1.307 20 30 CDEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](O)C1 ZINC000114470139 390806966 /nfs/dbraw/zinc/80/69/66/390806966.db2.gz SIGKDDMVXLCOQN-NSHDSACASA-N 1 2 291.376 1.307 20 30 CDEDLO C=CCCCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376185770 390841239 /nfs/dbraw/zinc/84/12/39/390841239.db2.gz GASTXQGUKNBGKG-ZIAGYGMSSA-N 1 2 266.385 1.664 20 30 CDEDLO NC(CCO)=[NH+]OCc1nc(-c2ccc(Cl)cc2)no1 ZINC000121322363 390883288 /nfs/dbraw/zinc/88/32/88/390883288.db2.gz LAGBSAYPRSFKFN-UHFFFAOYSA-N 1 2 296.714 1.561 20 30 CDEDLO C=CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000132537549 390896733 /nfs/dbraw/zinc/89/67/33/390896733.db2.gz YLFKQNMQORQRBE-UHFFFAOYSA-N 1 2 295.364 1.990 20 30 CDEDLO C=CC[NH+]1CCC(Nc2[nH+]cccc2C(=O)[O-])CC1 ZINC000647449498 390960433 /nfs/dbraw/zinc/96/04/33/390960433.db2.gz GZMXQIWPYLURMF-UHFFFAOYSA-N 1 2 261.325 1.842 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H]1C1CCOCC1 ZINC000329417810 390983487 /nfs/dbraw/zinc/98/34/87/390983487.db2.gz DMOMKCXKFZMBEX-CYBMUJFWSA-N 1 2 292.383 1.725 20 30 CDEDLO C[C@H](NC(=O)[C@H]1CCN(C)C(=O)C1)C1=CC[N@H+](C)CC1 ZINC000329511511 391001596 /nfs/dbraw/zinc/00/15/96/391001596.db2.gz NDGQUZQKESSOIJ-AAEUAGOBSA-N 1 2 279.384 1.462 20 30 CDEDLO C[C@H](NC(=O)[C@H]1CCN(C)C(=O)C1)C1=CC[N@@H+](C)CC1 ZINC000329511511 391001601 /nfs/dbraw/zinc/00/16/01/391001601.db2.gz NDGQUZQKESSOIJ-AAEUAGOBSA-N 1 2 279.384 1.462 20 30 CDEDLO C#C[C@@H](C)NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373064921 391103797 /nfs/dbraw/zinc/10/37/97/391103797.db2.gz ZJMJQWUUSKDYCZ-NEPJUHHUSA-N 1 2 260.341 1.331 20 30 CDEDLO C[C@H](C#N)N(C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000436727576 391217966 /nfs/dbraw/zinc/21/79/66/391217966.db2.gz ZZZJHRGEHLTQRW-UKRRQHHQSA-N 1 2 287.363 1.258 20 30 CDEDLO C[C@H](C#N)N(C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000436727576 391217971 /nfs/dbraw/zinc/21/79/71/391217971.db2.gz ZZZJHRGEHLTQRW-UKRRQHHQSA-N 1 2 287.363 1.258 20 30 CDEDLO C#CC[N@H+](Cc1nnc2n1CCCC2)C1CCCC1 ZINC000366006410 391194630 /nfs/dbraw/zinc/19/46/30/391194630.db2.gz LYNRCXSSXMDAHC-UHFFFAOYSA-N 1 2 258.369 1.992 20 30 CDEDLO C#CC[N@@H+](Cc1nnc2n1CCCC2)C1CCCC1 ZINC000366006410 391194637 /nfs/dbraw/zinc/19/46/37/391194637.db2.gz LYNRCXSSXMDAHC-UHFFFAOYSA-N 1 2 258.369 1.992 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC)Cc1ccccn1 ZINC000268173203 391211242 /nfs/dbraw/zinc/21/12/42/391211242.db2.gz QZRRQSRHWSSFOA-AWEZNQCLSA-N 1 2 288.395 1.912 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC)Cc1ccccn1 ZINC000268173203 391211244 /nfs/dbraw/zinc/21/12/44/391211244.db2.gz QZRRQSRHWSSFOA-AWEZNQCLSA-N 1 2 288.395 1.912 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N(CC(F)(F)F)C(C)C ZINC000339765453 391354228 /nfs/dbraw/zinc/35/42/28/391354228.db2.gz HDKXMVOJLUAUEZ-UHFFFAOYSA-N 1 2 264.291 1.741 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N(CC(F)(F)F)C(C)C ZINC000339765453 391354231 /nfs/dbraw/zinc/35/42/31/391354231.db2.gz HDKXMVOJLUAUEZ-UHFFFAOYSA-N 1 2 264.291 1.741 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000354458729 391420248 /nfs/dbraw/zinc/42/02/48/391420248.db2.gz MJTYGUDPHYRNHR-DOMZBBRYSA-N 1 2 295.383 1.022 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000354458729 391420250 /nfs/dbraw/zinc/42/02/50/391420250.db2.gz MJTYGUDPHYRNHR-DOMZBBRYSA-N 1 2 295.383 1.022 20 30 CDEDLO C[C@H]1OCC[N@H+](CCCC2(C#N)CCOCC2)[C@@H]1C(N)=O ZINC000330541320 391445106 /nfs/dbraw/zinc/44/51/06/391445106.db2.gz ADFSMFAFZBISDF-OLZOCXBDSA-N 1 2 295.383 1.712 20 30 CDEDLO C[C@H]1OCC[N@@H+](CCCC2(C#N)CCOCC2)[C@@H]1C(N)=O ZINC000330541320 391445109 /nfs/dbraw/zinc/44/51/09/391445109.db2.gz ADFSMFAFZBISDF-OLZOCXBDSA-N 1 2 295.383 1.712 20 30 CDEDLO CC[C@H](C#N)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000330616282 391459272 /nfs/dbraw/zinc/45/92/72/391459272.db2.gz DJXNDAWQSWECSM-SNVBAGLBSA-N 1 2 259.300 1.382 20 30 CDEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1ccon1 ZINC000349246973 391539686 /nfs/dbraw/zinc/53/96/86/391539686.db2.gz UCBZKLMFBYPNBE-JTQLQIEISA-N 1 2 250.302 1.087 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)C1=O ZINC000281959914 391667103 /nfs/dbraw/zinc/66/71/03/391667103.db2.gz KIDIKUDUCICBFU-STQMWFEESA-N 1 2 289.383 1.079 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)C1=O ZINC000281959914 391667107 /nfs/dbraw/zinc/66/71/07/391667107.db2.gz KIDIKUDUCICBFU-STQMWFEESA-N 1 2 289.383 1.079 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)C1=O ZINC000281959914 391667109 /nfs/dbraw/zinc/66/71/09/391667109.db2.gz KIDIKUDUCICBFU-STQMWFEESA-N 1 2 289.383 1.079 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)C1=O ZINC000281959914 391667114 /nfs/dbraw/zinc/66/71/14/391667114.db2.gz KIDIKUDUCICBFU-STQMWFEESA-N 1 2 289.383 1.079 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)C1=O ZINC000281959914 391667117 /nfs/dbraw/zinc/66/71/17/391667117.db2.gz KIDIKUDUCICBFU-STQMWFEESA-N 1 2 289.383 1.079 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)C1=O ZINC000281959914 391667119 /nfs/dbraw/zinc/66/71/19/391667119.db2.gz KIDIKUDUCICBFU-STQMWFEESA-N 1 2 289.383 1.079 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCc3ccc(F)cc3C2)C1=O ZINC000282084217 391671252 /nfs/dbraw/zinc/67/12/52/391671252.db2.gz USALAAFUFKAVKO-HNNXBMFYSA-N 1 2 274.339 1.971 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCc3ccc(F)cc3C2)C1=O ZINC000282084217 391671256 /nfs/dbraw/zinc/67/12/56/391671256.db2.gz USALAAFUFKAVKO-HNNXBMFYSA-N 1 2 274.339 1.971 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H](C)CC1CCOCC1)C(=O)OC ZINC000361110324 391682893 /nfs/dbraw/zinc/68/28/93/391682893.db2.gz HCBVXKLLNFONOF-JSGCOSHPSA-N 1 2 285.384 1.525 20 30 CDEDLO C#CCNC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000061331633 391705306 /nfs/dbraw/zinc/70/53/06/391705306.db2.gz GLTJKUYDVQUWAQ-UHFFFAOYSA-N 1 2 286.379 1.750 20 30 CDEDLO N#Cc1cccc([C@@H]2C[N@H+]([C@@H]3CCCCNC3=O)CCO2)c1 ZINC000341805895 130068243 /nfs/dbraw/zinc/06/82/43/130068243.db2.gz COODNBRCTLHPJR-CVEARBPZSA-N 1 2 299.374 1.600 20 30 CDEDLO N#Cc1cccc([C@@H]2C[N@@H+]([C@@H]3CCCCNC3=O)CCO2)c1 ZINC000341805895 130068245 /nfs/dbraw/zinc/06/82/45/130068245.db2.gz COODNBRCTLHPJR-CVEARBPZSA-N 1 2 299.374 1.600 20 30 CDEDLO CO[C@H]1C[C@@H](N(C)C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329750326 391771156 /nfs/dbraw/zinc/77/11/56/391771156.db2.gz UZDAYEKZKUDVDC-MXWKQRLJSA-N 1 2 278.356 1.290 20 30 CDEDLO CO[C@H]1C[C@@H](N(C)C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329750326 391771159 /nfs/dbraw/zinc/77/11/59/391771159.db2.gz UZDAYEKZKUDVDC-MXWKQRLJSA-N 1 2 278.356 1.290 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CC/C=C/c1cncc(OC)c1 ZINC000491382655 391856675 /nfs/dbraw/zinc/85/66/75/391856675.db2.gz JHHSMINZIJAFJF-DRDHIDPGSA-N 1 2 272.348 1.828 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CC/C=C/c1cncc(OC)c1 ZINC000491382655 391856677 /nfs/dbraw/zinc/85/66/77/391856677.db2.gz JHHSMINZIJAFJF-DRDHIDPGSA-N 1 2 272.348 1.828 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)N(C)[C@@H](C)C#N ZINC000334255235 392054119 /nfs/dbraw/zinc/05/41/19/392054119.db2.gz FBNFZBWGNZGGPP-JTQLQIEISA-N 1 2 256.309 1.715 20 30 CDEDLO CO[C@@H]1C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@@H]1OC ZINC000459426328 392437432 /nfs/dbraw/zinc/43/74/32/392437432.db2.gz STXKAZSRNGPQSF-OKILXGFUSA-N 1 2 291.307 1.312 20 30 CDEDLO CO[C@@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@@H]1OC ZINC000459426328 392437433 /nfs/dbraw/zinc/43/74/33/392437433.db2.gz STXKAZSRNGPQSF-OKILXGFUSA-N 1 2 291.307 1.312 20 30 CDEDLO C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccn(C)n1 ZINC000459790604 392507395 /nfs/dbraw/zinc/50/73/95/392507395.db2.gz MJCCGWXMSCENDL-NSHDSACASA-N 1 2 283.335 1.581 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(C#N)c(C)c2)CC1 ZINC000491727426 392569200 /nfs/dbraw/zinc/56/92/00/392569200.db2.gz FXXCKKJARKBSMA-UHFFFAOYSA-N 1 2 297.358 1.023 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000491775578 392571434 /nfs/dbraw/zinc/57/14/34/392571434.db2.gz VCRCUSHMWPFIMZ-HNNXBMFYSA-N 1 2 283.331 1.221 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000491775578 392571438 /nfs/dbraw/zinc/57/14/38/392571438.db2.gz VCRCUSHMWPFIMZ-HNNXBMFYSA-N 1 2 283.331 1.221 20 30 CDEDLO N#Cc1c(Cl)nsc1NC[C@H]1C[NH+]2CCN1CC2 ZINC000269476343 132176407 /nfs/dbraw/zinc/17/64/07/132176407.db2.gz KIOIWOAMGAQNOA-QMMMGPOBSA-N 1 2 283.788 1.080 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnnn1C ZINC000425364067 393020698 /nfs/dbraw/zinc/02/06/98/393020698.db2.gz DTORCUIUBMVOFQ-LLVKDONJSA-N 1 2 255.325 1.880 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnnn1C ZINC000425364067 393020703 /nfs/dbraw/zinc/02/07/03/393020703.db2.gz DTORCUIUBMVOFQ-LLVKDONJSA-N 1 2 255.325 1.880 20 30 CDEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000528725216 393028850 /nfs/dbraw/zinc/02/88/50/393028850.db2.gz SBLDNXWAWJJLTB-HNNXBMFYSA-N 1 2 260.337 1.796 20 30 CDEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000528725216 393028856 /nfs/dbraw/zinc/02/88/56/393028856.db2.gz SBLDNXWAWJJLTB-HNNXBMFYSA-N 1 2 260.337 1.796 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000531121118 393057777 /nfs/dbraw/zinc/05/77/77/393057777.db2.gz UYTKJDITBQEZRA-UHFFFAOYSA-N 1 2 257.297 1.293 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)C[C@H](CO)O1 ZINC000191523597 393119959 /nfs/dbraw/zinc/11/99/59/393119959.db2.gz NKFBARAUUOJILF-MWLCHTKSSA-N 1 2 252.339 1.201 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)C[C@H](CO)O1 ZINC000191523597 393119964 /nfs/dbraw/zinc/11/99/64/393119964.db2.gz NKFBARAUUOJILF-MWLCHTKSSA-N 1 2 252.339 1.201 20 30 CDEDLO C=C(CC)CNC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657999684 413126391 /nfs/dbraw/zinc/12/63/91/413126391.db2.gz YBBOUBYLTWXFCP-UHFFFAOYSA-N 1 2 286.335 1.664 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000336258664 151396534 /nfs/dbraw/zinc/39/65/34/151396534.db2.gz NZYNJIQAERQFKG-UHFFFAOYSA-N 1 2 297.362 2.000 20 30 CDEDLO C[C@H]1COCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000374368979 160279051 /nfs/dbraw/zinc/27/90/51/160279051.db2.gz XDCKAJVUMLSPFC-GFCCVEGCSA-N 1 2 273.336 1.465 20 30 CDEDLO C[C@H]1COCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000374368979 160279053 /nfs/dbraw/zinc/27/90/53/160279053.db2.gz XDCKAJVUMLSPFC-GFCCVEGCSA-N 1 2 273.336 1.465 20 30 CDEDLO CC#CCCNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000664703191 413598242 /nfs/dbraw/zinc/59/82/42/413598242.db2.gz BCEGGSBWYZEEGX-GFCCVEGCSA-N 1 2 292.383 1.192 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285553137 196324305 /nfs/dbraw/zinc/32/43/05/196324305.db2.gz QWXAWTHNZSRWRZ-LLVKDONJSA-N 1 2 276.336 1.277 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCOc2cc(O)ccc2C1 ZINC000285553137 196324307 /nfs/dbraw/zinc/32/43/07/196324307.db2.gz QWXAWTHNZSRWRZ-LLVKDONJSA-N 1 2 276.336 1.277 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H](CC)[C@H](O)C(F)(F)F)nn1 ZINC000657422369 414309128 /nfs/dbraw/zinc/30/91/28/414309128.db2.gz OMQRUDRPDOWNNA-QWRGUYRKSA-N 1 2 292.305 1.646 20 30 CDEDLO CC(C)[C@H](CNc1ccc(C#N)cn1)N1CC[NH+](C)CC1 ZINC000040432234 174260380 /nfs/dbraw/zinc/26/03/80/174260380.db2.gz CSQROUOAAXTPET-HNNXBMFYSA-N 1 2 287.411 1.637 20 30 CDEDLO O=C(NC[C@@H]1CCC[C@@H]1O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329469422 225119554 /nfs/dbraw/zinc/11/95/54/225119554.db2.gz YAKSRTWFTASQPI-QEJZJMRPSA-N 1 2 296.411 1.747 20 30 CDEDLO O=C(NC[C@@H]1CCC[C@@H]1O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329469422 225119560 /nfs/dbraw/zinc/11/95/60/225119560.db2.gz YAKSRTWFTASQPI-QEJZJMRPSA-N 1 2 296.411 1.747 20 30 CDEDLO CCn1cnnc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329128073 227315868 /nfs/dbraw/zinc/31/58/68/227315868.db2.gz VEKBSPNADXHMPX-SECBINFHSA-N 1 2 260.301 1.345 20 30 CDEDLO O=C(NC[C@H]1CCCC1=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000330084522 228035538 /nfs/dbraw/zinc/03/55/38/228035538.db2.gz LARKACBDFFNNNH-WDEREUQCSA-N 1 2 261.325 1.771 20 30 CDEDLO COC1(C[NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000330182233 228058260 /nfs/dbraw/zinc/05/82/60/228058260.db2.gz HCULFZHWSFFFMO-NSHDSACASA-N 1 2 278.356 1.271 20 30 CDEDLO COC1(CNC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000330182233 228058262 /nfs/dbraw/zinc/05/82/62/228058262.db2.gz HCULFZHWSFFFMO-NSHDSACASA-N 1 2 278.356 1.271 20 30 CDEDLO Cc1ncc(C[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)s1 ZINC000047259196 260195343 /nfs/dbraw/zinc/19/53/43/260195343.db2.gz OXCWQCUTIJSBMY-CQSZACIVSA-N 1 2 294.424 1.938 20 30 CDEDLO Cc1ncc(C[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)s1 ZINC000047259196 260195344 /nfs/dbraw/zinc/19/53/44/260195344.db2.gz OXCWQCUTIJSBMY-CQSZACIVSA-N 1 2 294.424 1.938 20 30 CDEDLO C=CCOC[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OC ZINC000449302537 260380637 /nfs/dbraw/zinc/38/06/37/260380637.db2.gz VTBHNTFNDADWET-JVWICGRDSA-N 1 2 280.368 1.793 20 30 CDEDLO C#CC[NH+]1CCN(Cn2ccc(-c3cccs3)n2)CC1 ZINC000490637067 261175959 /nfs/dbraw/zinc/17/59/59/261175959.db2.gz PMIGIBQRXCIESR-UHFFFAOYSA-N 1 2 286.404 1.820 20 30 CDEDLO CC[C@]1(C)C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000248948387 261222995 /nfs/dbraw/zinc/22/29/95/261222995.db2.gz PDYFFKQFAUOOJY-TZMCWYRMSA-N 1 2 267.373 1.248 20 30 CDEDLO CC[C@]1(C)C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000248948387 261222997 /nfs/dbraw/zinc/22/29/97/261222997.db2.gz PDYFFKQFAUOOJY-TZMCWYRMSA-N 1 2 267.373 1.248 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cc(-c2cnn(C)c2C)no1 ZINC000490985940 261278498 /nfs/dbraw/zinc/27/84/98/261278498.db2.gz OETCAFXGPBTGSP-UHFFFAOYSA-N 1 2 282.347 1.842 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cc(-c2cnn(C)c2C)no1 ZINC000490985940 261278500 /nfs/dbraw/zinc/27/85/00/261278500.db2.gz OETCAFXGPBTGSP-UHFFFAOYSA-N 1 2 282.347 1.842 20 30 CDEDLO CCc1ccccc1CO[NH+]=C(N)CN1CCOCC1 ZINC000187143381 262125991 /nfs/dbraw/zinc/12/59/91/262125991.db2.gz LMMPCCXBISGWSY-UHFFFAOYSA-N 1 2 277.368 1.370 20 30 CDEDLO CC(C)(C)OC(=O)N1CC[C@@](C)(C=[NH+]n2ccnn2)C1 ZINC000497316341 262142365 /nfs/dbraw/zinc/14/23/65/262142365.db2.gz ULDITSQILKRSSC-ZDUSSCGKSA-N 1 2 279.344 1.759 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCC[C@H]2CCCO2)cc1OC ZINC000189241025 262169849 /nfs/dbraw/zinc/16/98/49/262169849.db2.gz ZZDJDDRJUWIPDM-GFCCVEGCSA-N 1 2 294.351 1.910 20 30 CDEDLO N#CCC1(O)C[NH+](C[C@H]2CCOc3ccccc32)C1 ZINC000364473063 262248057 /nfs/dbraw/zinc/24/80/57/262248057.db2.gz CCUQMZBUHJCVCT-GFCCVEGCSA-N 1 2 258.321 1.513 20 30 CDEDLO C#CCCCNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365454192 262366007 /nfs/dbraw/zinc/36/60/07/262366007.db2.gz ABPNZQWRUAEBNJ-ZDUSSCGKSA-N 1 2 274.368 1.723 20 30 CDEDLO C#CCSCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000365567217 262370793 /nfs/dbraw/zinc/37/07/93/262370793.db2.gz VQXSEAZKBRIEHC-AWEZNQCLSA-N 1 2 296.436 1.112 20 30 CDEDLO C#CCSCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000365567217 262370795 /nfs/dbraw/zinc/37/07/95/262370795.db2.gz VQXSEAZKBRIEHC-AWEZNQCLSA-N 1 2 296.436 1.112 20 30 CDEDLO C=CC[N@@H+](CCSCC)[C@@H]1CCS(=O)(=O)C1 ZINC000336685560 262379956 /nfs/dbraw/zinc/37/99/56/262379956.db2.gz VLYHNWHSSYDXFN-LLVKDONJSA-N 1 2 263.428 1.415 20 30 CDEDLO C=CC[N@H+](CCSCC)[C@@H]1CCS(=O)(=O)C1 ZINC000336685560 262379957 /nfs/dbraw/zinc/37/99/57/262379957.db2.gz VLYHNWHSSYDXFN-LLVKDONJSA-N 1 2 263.428 1.415 20 30 CDEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)C1 ZINC000278658651 263049309 /nfs/dbraw/zinc/04/93/09/263049309.db2.gz QHTZTFLSGFFVGX-UKRRQHHQSA-N 1 2 299.374 1.842 20 30 CDEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)[C@@H]2CCCO2)c(C)c1 ZINC000283981021 263085304 /nfs/dbraw/zinc/08/53/04/263085304.db2.gz GQKRPQHCGZWUKE-ZDUSSCGKSA-N 1 2 291.351 1.710 20 30 CDEDLO NC(=[NH+]OCCN1CCc2ccccc21)[C@H]1CCCO1 ZINC000291799517 263125465 /nfs/dbraw/zinc/12/54/65/263125465.db2.gz BTXIEHIZINBQEP-CQSZACIVSA-N 1 2 275.352 1.517 20 30 CDEDLO CCc1nocc1C[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000293315309 263139088 /nfs/dbraw/zinc/13/90/88/263139088.db2.gz FSHSZGBXRWOIKD-HNNXBMFYSA-N 1 2 292.383 1.723 20 30 CDEDLO CCc1nocc1C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000293315309 263139089 /nfs/dbraw/zinc/13/90/89/263139089.db2.gz FSHSZGBXRWOIKD-HNNXBMFYSA-N 1 2 292.383 1.723 20 30 CDEDLO CCn1cc([C@@H]2C[N@@H+]([C@@H]3CC[C@H](C#N)C3)CCO2)cn1 ZINC000294660145 263165631 /nfs/dbraw/zinc/16/56/31/263165631.db2.gz RDZTXISIOFLUFP-CFVMTHIKSA-N 1 2 274.368 1.969 20 30 CDEDLO CCn1cc([C@@H]2C[N@H+]([C@@H]3CC[C@H](C#N)C3)CCO2)cn1 ZINC000294660145 263165633 /nfs/dbraw/zinc/16/56/33/263165633.db2.gz RDZTXISIOFLUFP-CFVMTHIKSA-N 1 2 274.368 1.969 20 30 CDEDLO CC(C)=CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000299531137 263245732 /nfs/dbraw/zinc/24/57/32/263245732.db2.gz NYMHWYWAURFGQS-UHFFFAOYSA-N 1 2 265.357 1.027 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2nccs2)CC1 ZINC000341993574 263372712 /nfs/dbraw/zinc/37/27/12/263372712.db2.gz PQHBUZZQAYWAQN-UHFFFAOYSA-N 1 2 251.355 1.895 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000330732437 264037316 /nfs/dbraw/zinc/03/73/16/264037316.db2.gz JMOSIGIZGTYGTB-LBPRGKRZSA-N 1 2 285.388 1.174 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000330732437 264037318 /nfs/dbraw/zinc/03/73/18/264037318.db2.gz JMOSIGIZGTYGTB-LBPRGKRZSA-N 1 2 285.388 1.174 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000330736976 264038282 /nfs/dbraw/zinc/03/82/82/264038282.db2.gz MPZRUSVTZFVHAI-KBPBESRZSA-N 1 2 281.400 1.351 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000330736976 264038283 /nfs/dbraw/zinc/03/82/83/264038283.db2.gz MPZRUSVTZFVHAI-KBPBESRZSA-N 1 2 281.400 1.351 20 30 CDEDLO CCc1nnc(C)cc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330830308 264050102 /nfs/dbraw/zinc/05/01/02/264050102.db2.gz UHNAYAIOSDBSDE-GFCCVEGCSA-N 1 2 292.383 1.373 20 30 CDEDLO CCc1nnc(C)cc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330830308 264050103 /nfs/dbraw/zinc/05/01/03/264050103.db2.gz UHNAYAIOSDBSDE-GFCCVEGCSA-N 1 2 292.383 1.373 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)C1=CCOCC1 ZINC000331071961 264113563 /nfs/dbraw/zinc/11/35/63/264113563.db2.gz UEHMWBTYLBEALT-NSHDSACASA-N 1 2 254.330 1.010 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)C1=CCOCC1 ZINC000331071961 264113565 /nfs/dbraw/zinc/11/35/65/264113565.db2.gz UEHMWBTYLBEALT-NSHDSACASA-N 1 2 254.330 1.010 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331307882 264202033 /nfs/dbraw/zinc/20/20/33/264202033.db2.gz FQDWJMPINNINKG-STQMWFEESA-N 1 2 281.400 1.494 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331307882 264202034 /nfs/dbraw/zinc/20/20/34/264202034.db2.gz FQDWJMPINNINKG-STQMWFEESA-N 1 2 281.400 1.494 20 30 CDEDLO CCc1nc(C(=O)NC(C)(C)C[NH+]2CCOCC2)co1 ZINC000331349589 264205876 /nfs/dbraw/zinc/20/58/76/264205876.db2.gz NMHKRLGLGFGOCG-UHFFFAOYSA-N 1 2 281.356 1.652 20 30 CDEDLO N#Cc1cccc(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000331360832 264209074 /nfs/dbraw/zinc/20/90/74/264209074.db2.gz YHQSTLJHVJKZTD-TZMCWYRMSA-N 1 2 268.320 1.779 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000189837021 264331844 /nfs/dbraw/zinc/33/18/44/264331844.db2.gz RCTDLRJVOGNSBB-CQSZACIVSA-N 1 2 293.411 1.034 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000189837021 264331845 /nfs/dbraw/zinc/33/18/45/264331845.db2.gz RCTDLRJVOGNSBB-CQSZACIVSA-N 1 2 293.411 1.034 20 30 CDEDLO COC(=O)C1([NH2+]Cc2ccc(CC#N)cc2)CCOCC1 ZINC000425497668 264361596 /nfs/dbraw/zinc/36/15/96/264361596.db2.gz XHFDMQHEUVEJOE-UHFFFAOYSA-N 1 2 288.347 1.564 20 30 CDEDLO C=CC[C@@H](C)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660681572 423781014 /nfs/dbraw/zinc/78/10/14/423781014.db2.gz QPGWMGHHXDHQRF-CHWSQXEVSA-N 1 2 267.373 1.067 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC=CCC1 ZINC000060855800 264519485 /nfs/dbraw/zinc/51/94/85/264519485.db2.gz PHNYXDXZHGPYAB-OAHLLOKOSA-N 1 2 291.395 1.417 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccccc1OCC(=O)N(C)C ZINC000093475516 265182332 /nfs/dbraw/zinc/18/23/32/265182332.db2.gz XOFSUFIBODASMY-UHFFFAOYSA-N 1 2 284.359 1.222 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000357793821 266362500 /nfs/dbraw/zinc/36/25/00/266362500.db2.gz IVTQYSWKNGQMAA-AAEUAGOBSA-N 1 2 292.383 1.355 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)CCCC#N)C1 ZINC000369371529 267237907 /nfs/dbraw/zinc/23/79/07/267237907.db2.gz WKJZGSJNCCMBEV-LBPRGKRZSA-N 1 2 296.396 1.233 20 30 CDEDLO C#CCC(C)(C)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376172068 267947043 /nfs/dbraw/zinc/94/70/43/267947043.db2.gz LTNFUQZWXPBVRI-KBPBESRZSA-N 1 2 278.396 1.358 20 30 CDEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C#N)C1 ZINC000528562227 268302442 /nfs/dbraw/zinc/30/24/42/268302442.db2.gz VLEOYSYLHOXNSX-TZMCWYRMSA-N 1 2 271.320 1.143 20 30 CDEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](C#N)C1 ZINC000528562227 268302446 /nfs/dbraw/zinc/30/24/46/268302446.db2.gz VLEOYSYLHOXNSX-TZMCWYRMSA-N 1 2 271.320 1.143 20 30 CDEDLO CC(C)(C)[C@@H](C#N)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000335774322 277223421 /nfs/dbraw/zinc/22/34/21/277223421.db2.gz BXWFNBYKOPDNAS-GHMZBOCLSA-N 1 2 260.341 1.500 20 30 CDEDLO C#CCCN1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000366908222 277673490 /nfs/dbraw/zinc/67/34/90/277673490.db2.gz ZCGOZNVFCMYEEZ-OAHLLOKOSA-N 1 2 282.347 1.139 20 30 CDEDLO CC(C)[C@@H](C)NC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352459070 277732345 /nfs/dbraw/zinc/73/23/45/277732345.db2.gz SPSFZLXYTDOVQX-LLVKDONJSA-N 1 2 255.337 1.475 20 30 CDEDLO N#Cc1cccc(Cl)c1NC[C@H](O)C[NH+]1CCOCC1 ZINC000269318534 279533507 /nfs/dbraw/zinc/53/35/07/279533507.db2.gz GEUMXTHZEZOATJ-LBPRGKRZSA-N 1 2 295.770 1.317 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1cccc(C#N)c1 ZINC000132399048 279704567 /nfs/dbraw/zinc/70/45/67/279704567.db2.gz LUQTWYAUUIBGKJ-UHFFFAOYSA-N 1 2 269.308 1.956 20 30 CDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)[C@@H](C)C[N@@H+]1C ZINC000435426350 288240177 /nfs/dbraw/zinc/24/01/77/288240177.db2.gz HNISNEPVBDQAEZ-ZJUUUORDSA-N 1 2 299.421 1.333 20 30 CDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)[C@@H](C)C[N@H+]1C ZINC000435426350 288240179 /nfs/dbraw/zinc/24/01/79/288240179.db2.gz HNISNEPVBDQAEZ-ZJUUUORDSA-N 1 2 299.421 1.333 20 30 CDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)C[C@H](C)[N@H+]1C ZINC000230346665 288240293 /nfs/dbraw/zinc/24/02/93/288240293.db2.gz GOWIDDVNBLFPFP-AOOOYVTPSA-N 1 2 299.421 1.333 20 30 CDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)C[C@H](C)[N@@H+]1C ZINC000230346665 288240296 /nfs/dbraw/zinc/24/02/96/288240296.db2.gz GOWIDDVNBLFPFP-AOOOYVTPSA-N 1 2 299.421 1.333 20 30 CDEDLO COC(=O)C1([N@H+](C)Cc2ccc(C#N)cn2)CCCC1 ZINC000562383728 293148888 /nfs/dbraw/zinc/14/88/88/293148888.db2.gz WTLWVCCZAMLZAB-UHFFFAOYSA-N 1 2 273.336 1.871 20 30 CDEDLO COC(=O)C1([N@@H+](C)Cc2ccc(C#N)cn2)CCCC1 ZINC000562383728 293148889 /nfs/dbraw/zinc/14/88/89/293148889.db2.gz WTLWVCCZAMLZAB-UHFFFAOYSA-N 1 2 273.336 1.871 20 30 CDEDLO COC(=O)c1ccc(N(C)Cc2[nH+]ccn2C)c(C#N)n1 ZINC000567627643 293824962 /nfs/dbraw/zinc/82/49/62/293824962.db2.gz 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/nfs/dbraw/zinc/24/65/09/328246509.db2.gz ZFROOWUVLDPKQN-HTQZYQBOSA-N 1 2 254.290 1.161 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1ccc(C#N)cc1 ZINC000380218433 323611482 /nfs/dbraw/zinc/61/14/82/323611482.db2.gz UOXOETPSQKQHTR-VOTSOKGWSA-N 1 2 266.304 1.919 20 30 CDEDLO Cc1cc(N[C@H]([C@H](CO)C2CC2)C2CC2)c(C#N)c[nH+]1 ZINC000582721872 325030534 /nfs/dbraw/zinc/03/05/34/325030534.db2.gz VIDVBEXJCRXEQL-ZBFHGGJFSA-N 1 2 271.364 1.893 20 30 CDEDLO N#CCCC[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000559259122 327151451 /nfs/dbraw/zinc/15/14/51/327151451.db2.gz BTIZSGRGRSEGCP-UHFFFAOYSA-N 1 2 255.325 1.379 20 30 CDEDLO Cc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nc1C ZINC000583443899 327368890 /nfs/dbraw/zinc/36/88/90/327368890.db2.gz GQYDKTMSPOSFBH-AWEZNQCLSA-N 1 2 260.341 1.272 20 30 CDEDLO N#CCc1ccnc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000562453375 327482041 /nfs/dbraw/zinc/48/20/41/327482041.db2.gz JXORPBKCUNNJCV-GFCCVEGCSA-N 1 2 281.319 1.545 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1ccc2c(c1)OCO2 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/nfs/dbraw/zinc/10/26/27/332102627.db2.gz LTJNDQVYLNQCIZ-UHFFFAOYSA-N 1 2 259.305 1.833 20 30 CDEDLO C#CC[N@@H+](CC#CC)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000490699673 332106135 /nfs/dbraw/zinc/10/61/35/332106135.db2.gz QVIZZURVVMUDAP-LLVKDONJSA-N 1 2 272.270 1.108 20 30 CDEDLO C#CC[N@H+](CC#CC)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000490699673 332106137 /nfs/dbraw/zinc/10/61/37/332106137.db2.gz QVIZZURVVMUDAP-LLVKDONJSA-N 1 2 272.270 1.108 20 30 CDEDLO C#CC[N@@H+](CCN1CCCS1(=O)=O)Cc1ccccc1 ZINC000491179193 332161032 /nfs/dbraw/zinc/16/10/32/332161032.db2.gz DPBXQJXYJRPUIC-UHFFFAOYSA-N 1 2 292.404 1.157 20 30 CDEDLO C#CC[N@H+](CCN1CCCS1(=O)=O)Cc1ccccc1 ZINC000491179193 332161033 /nfs/dbraw/zinc/16/10/33/332161033.db2.gz DPBXQJXYJRPUIC-UHFFFAOYSA-N 1 2 292.404 1.157 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)c1ncc(Br)cn1 ZINC000491438522 332210931 /nfs/dbraw/zinc/21/09/31/332210931.db2.gz DCEQCLUIWGCJCC-QMMMGPOBSA-N 1 2 254.131 1.865 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)c1ncc(Br)cn1 ZINC000491438522 332210932 /nfs/dbraw/zinc/21/09/32/332210932.db2.gz DCEQCLUIWGCJCC-QMMMGPOBSA-N 1 2 254.131 1.865 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)cn1 ZINC000491524132 332229401 /nfs/dbraw/zinc/22/94/01/332229401.db2.gz JLVNUZNWWBNHGU-VIFPVBQESA-N 1 2 251.717 1.627 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)cn1 ZINC000491524132 332229402 /nfs/dbraw/zinc/22/94/02/332229402.db2.gz JLVNUZNWWBNHGU-VIFPVBQESA-N 1 2 251.717 1.627 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(F)cc1F ZINC000491555659 332237657 /nfs/dbraw/zinc/23/76/57/332237657.db2.gz SLHWPCMHOIORBY-VIFPVBQESA-N 1 2 252.264 1.857 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(F)cc1F ZINC000491555659 332237659 /nfs/dbraw/zinc/23/76/59/332237659.db2.gz SLHWPCMHOIORBY-VIFPVBQESA-N 1 2 252.264 1.857 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C2CC2)CC1 ZINC000491616371 332243506 /nfs/dbraw/zinc/24/35/06/332243506.db2.gz AHBJERQZIBDVFJ-UHFFFAOYSA-N 1 2 287.411 1.666 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2C2CC2)CC1 ZINC000491629912 332252816 /nfs/dbraw/zinc/25/28/16/332252816.db2.gz NDHTULVEWFAQSF-UHFFFAOYSA-N 1 2 285.395 1.636 20 30 CDEDLO C#CC[N@@H+](C)Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000491639859 332260107 /nfs/dbraw/zinc/26/01/07/332260107.db2.gz YYGVGAFMANPNHW-UHFFFAOYSA-N 1 2 257.293 1.810 20 30 CDEDLO C#CC[N@H+](C)Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000491639859 332260108 /nfs/dbraw/zinc/26/01/08/332260108.db2.gz YYGVGAFMANPNHW-UHFFFAOYSA-N 1 2 257.293 1.810 20 30 CDEDLO C#C[C@H](CC)NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000491661743 332271603 /nfs/dbraw/zinc/27/16/03/332271603.db2.gz PNHBZGKPZUDFLH-CQSZACIVSA-N 1 2 287.363 1.055 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000491708893 332301325 /nfs/dbraw/zinc/30/13/25/332301325.db2.gz VGVLMQPYPKFIFI-CYBMUJFWSA-N 1 2 260.293 1.471 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000491708893 332301326 /nfs/dbraw/zinc/30/13/26/332301326.db2.gz VGVLMQPYPKFIFI-CYBMUJFWSA-N 1 2 260.293 1.471 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000491803999 332357951 /nfs/dbraw/zinc/35/79/51/332357951.db2.gz KFESSHPCWRPABJ-LLVKDONJSA-N 1 2 275.308 1.511 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000491803999 332357952 /nfs/dbraw/zinc/35/79/52/332357952.db2.gz KFESSHPCWRPABJ-LLVKDONJSA-N 1 2 275.308 1.511 20 30 CDEDLO N#CCCN(Cc1cccnc1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493061507 332424820 /nfs/dbraw/zinc/42/48/20/332424820.db2.gz ZJBFHISJXLBSOJ-PLNGDYQASA-N 1 2 281.319 1.760 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)/C=C\c1[nH+]ccn1CC ZINC000493164837 332428923 /nfs/dbraw/zinc/42/89/23/332428923.db2.gz WHCWVYPQEODQFH-IBPBTGAJSA-N 1 2 275.352 1.624 20 30 CDEDLO Cc1c(F)c(F)ccc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000517025792 333090260 /nfs/dbraw/zinc/09/02/60/333090260.db2.gz KWSLLRZUQFIQMM-NSHDSACASA-N 1 2 283.322 1.892 20 30 CDEDLO Cc1c(F)c(F)ccc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000517025792 333090262 /nfs/dbraw/zinc/09/02/62/333090262.db2.gz KWSLLRZUQFIQMM-NSHDSACASA-N 1 2 283.322 1.892 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000548096810 334139631 /nfs/dbraw/zinc/13/96/31/334139631.db2.gz ZLVRWWGNUIJFIO-DYEKYZERSA-N 1 2 291.395 1.437 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000548096810 334139632 /nfs/dbraw/zinc/13/96/32/334139632.db2.gz ZLVRWWGNUIJFIO-DYEKYZERSA-N 1 2 291.395 1.437 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@H+](CCC#N)CC1CC1)C1CC1 ZINC000081043587 334177030 /nfs/dbraw/zinc/17/70/30/334177030.db2.gz MSNGMKBLCVBZKP-OAHLLOKOSA-N 1 2 274.368 1.421 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@@H+](CCC#N)CC1CC1)C1CC1 ZINC000081043587 334177032 /nfs/dbraw/zinc/17/70/32/334177032.db2.gz MSNGMKBLCVBZKP-OAHLLOKOSA-N 1 2 274.368 1.421 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000251026987 334354674 /nfs/dbraw/zinc/35/46/74/334354674.db2.gz HYDQCTVPCLIUEK-OCCSQVGLSA-N 1 2 257.337 1.661 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000251026987 334354676 /nfs/dbraw/zinc/35/46/76/334354676.db2.gz HYDQCTVPCLIUEK-OCCSQVGLSA-N 1 2 257.337 1.661 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CSc2ccccc21 ZINC000555483163 334479694 /nfs/dbraw/zinc/47/96/94/334479694.db2.gz XHUOPUMPWVECML-IUODEOHRSA-N 1 2 289.404 1.836 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(C)cc(F)c2)CC1 ZINC000155047379 334711626 /nfs/dbraw/zinc/71/16/26/334711626.db2.gz ANYXAPQECXKWDY-UHFFFAOYSA-N 1 2 289.354 1.323 20 30 CDEDLO Cc1nc2ccccn2c1C[NH+]1CCN(CC#N)CC1 ZINC000156079825 334734406 /nfs/dbraw/zinc/73/44/06/334734406.db2.gz ACILCVSIUYEHPL-UHFFFAOYSA-N 1 2 269.352 1.284 20 30 CDEDLO N#C[C@@H]1CC[C@H](Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000576456685 335205227 /nfs/dbraw/zinc/20/52/27/335205227.db2.gz WCCMBFJOZWQMGC-KGLIPLIRSA-N 1 2 289.383 1.319 20 30 CDEDLO N#CCN[C@H]1CCCCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001088356293 1160380254 /nfs/dbraw/zinc/38/02/54/1160380254.db2.gz WAOUJUZTTUXRNA-AWEZNQCLSA-N 1 2 289.383 1.158 20 30 CDEDLO C=C[C@@H](O)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000669334351 482706767 /nfs/dbraw/zinc/70/67/67/482706767.db2.gz CZLGUVNLLAXZJX-UONOGXRCSA-N 1 2 285.347 1.367 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1OC ZINC001212185544 1161020842 /nfs/dbraw/zinc/02/08/42/1161020842.db2.gz WPQFZAHGXJHYOK-ZYARKTQMSA-N 1 2 284.787 1.358 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1OC ZINC001212185544 1161020848 /nfs/dbraw/zinc/02/08/48/1161020848.db2.gz WPQFZAHGXJHYOK-ZYARKTQMSA-N 1 2 284.787 1.358 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000057874673 521235580 /nfs/dbraw/zinc/23/55/80/521235580.db2.gz YKFCOPOPRPYSIL-GFCCVEGCSA-N 1 2 262.357 1.230 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cocn1 ZINC001725158109 1181892510 /nfs/dbraw/zinc/89/25/10/1181892510.db2.gz VOKBAMZIFWUSRZ-VIFPVBQESA-N 1 2 257.721 1.477 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cocn1 ZINC001725158109 1181892513 /nfs/dbraw/zinc/89/25/13/1181892513.db2.gz VOKBAMZIFWUSRZ-VIFPVBQESA-N 1 2 257.721 1.477 20 30 CDEDLO CC[N@H+](CCNC(=O)CSCC#N)Cc1ccns1 ZINC001753078607 1185045182 /nfs/dbraw/zinc/04/51/82/1185045182.db2.gz IXTBUXADGRWCPB-UHFFFAOYSA-N 1 2 298.437 1.338 20 30 CDEDLO CC[N@@H+](CCNC(=O)CSCC#N)Cc1ccns1 ZINC001753078607 1185045188 /nfs/dbraw/zinc/04/51/88/1185045188.db2.gz IXTBUXADGRWCPB-UHFFFAOYSA-N 1 2 298.437 1.338 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)SC ZINC001754302868 1185562429 /nfs/dbraw/zinc/56/24/29/1185562429.db2.gz PCOQEKSHEZREHQ-VHSXEESVSA-N 1 2 264.822 1.927 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)SC ZINC001754302868 1185562431 /nfs/dbraw/zinc/56/24/31/1185562431.db2.gz PCOQEKSHEZREHQ-VHSXEESVSA-N 1 2 264.822 1.927 20 30 CDEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)C2(CCF)CC2)C1 ZINC001755335507 1185922503 /nfs/dbraw/zinc/92/25/03/1185922503.db2.gz KNKGSXLFUFQZEL-UHFFFAOYSA-N 1 2 284.375 1.255 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)Nc1cccc(C#N)c1 ZINC000544411603 518195412 /nfs/dbraw/zinc/19/54/12/518195412.db2.gz ACTQHAKXRJJGHW-UHFFFAOYSA-N 1 2 269.308 1.656 20 30 CDEDLO Cc1cc[nH+]c(C)c1NC(=O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000329250955 534385728 /nfs/dbraw/zinc/38/57/28/534385728.db2.gz UQQZJPRASXAVKG-YNEHKIRRSA-N 1 2 275.352 1.947 20 30 CDEDLO C=CCCC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000263680984 534618430 /nfs/dbraw/zinc/61/84/30/534618430.db2.gz OUMNJQFNXYFWDU-UHFFFAOYSA-N 1 2 275.352 1.501 20 30 CDEDLO C=CCO[C@H](C)C(=O)N1CC[NH+](CCOC2CCC2)CC1 ZINC001113712830 1162263909 /nfs/dbraw/zinc/26/39/09/1162263909.db2.gz GPKJEWOZPVIHHI-CQSZACIVSA-N 1 2 296.411 1.291 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000245907463 523519454 /nfs/dbraw/zinc/51/94/54/523519454.db2.gz CQWRRUNPTKJLQM-LSDHHAIUSA-N 1 2 299.374 1.810 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000245907463 523519461 /nfs/dbraw/zinc/51/94/61/523519461.db2.gz CQWRRUNPTKJLQM-LSDHHAIUSA-N 1 2 299.374 1.810 20 30 CDEDLO N#CCc1cccc(NC(=O)NCCn2cc[nH+]c2)c1 ZINC001677654251 1174383724 /nfs/dbraw/zinc/38/37/24/1174383724.db2.gz SGJJGSILUDTJFJ-UHFFFAOYSA-N 1 2 269.308 1.771 20 30 CDEDLO C=C(C)C[N@@H+](CC(=O)NCC)Cc1ccc(CO)o1 ZINC000352803171 526509341 /nfs/dbraw/zinc/50/93/41/526509341.db2.gz XSSUTUMKNUZCMC-UHFFFAOYSA-N 1 2 266.341 1.286 20 30 CDEDLO C=C(C)C[N@H+](CC(=O)NCC)Cc1ccc(CO)o1 ZINC000352803171 526509346 /nfs/dbraw/zinc/50/93/46/526509346.db2.gz XSSUTUMKNUZCMC-UHFFFAOYSA-N 1 2 266.341 1.286 20 30 CDEDLO N#Cc1cccc(C[NH+]2CCN([C@H]3CCOC3)CC2)c1 ZINC000366547067 526703196 /nfs/dbraw/zinc/70/31/96/526703196.db2.gz YROOCNKMGUMVMN-INIZCTEOSA-N 1 2 271.364 1.465 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000048921783 526735579 /nfs/dbraw/zinc/73/55/79/526735579.db2.gz FIYDPFKFZVNNIC-OAHLLOKOSA-N 1 2 269.348 1.801 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000048921783 526735582 /nfs/dbraw/zinc/73/55/82/526735582.db2.gz FIYDPFKFZVNNIC-OAHLLOKOSA-N 1 2 269.348 1.801 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000333098771 526779591 /nfs/dbraw/zinc/77/95/91/526779591.db2.gz UUZMLZCFXOVBHV-GUTXKFCHSA-N 1 2 289.379 1.543 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000347667345 527379279 /nfs/dbraw/zinc/37/92/79/527379279.db2.gz FRVWBVKYGVMSFU-UONOGXRCSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000347667345 527379284 /nfs/dbraw/zinc/37/92/84/527379284.db2.gz FRVWBVKYGVMSFU-UONOGXRCSA-N 1 2 284.400 1.195 20 30 CDEDLO CCN(CC#N)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000347315843 527885455 /nfs/dbraw/zinc/88/54/55/527885455.db2.gz RWHLKUIHHSWBNJ-UHFFFAOYSA-N 1 2 287.363 1.504 20 30 CDEDLO CCN1C[C@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1=O ZINC000330318029 527953186 /nfs/dbraw/zinc/95/31/86/527953186.db2.gz QRRKGEZVLZJUTI-MNOVXSKESA-N 1 2 276.340 1.023 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000347351767 528695934 /nfs/dbraw/zinc/69/59/34/528695934.db2.gz NHFQJCJEDKIOPE-YPMHNXCESA-N 1 2 255.337 1.428 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@](C)(F)C1 ZINC000347351767 528695935 /nfs/dbraw/zinc/69/59/35/528695935.db2.gz NHFQJCJEDKIOPE-YPMHNXCESA-N 1 2 255.337 1.428 20 30 CDEDLO C=CCNC(=O)C[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000070695022 538423045 /nfs/dbraw/zinc/42/30/45/538423045.db2.gz LRELMIDQYNZKCD-UKRRQHHQSA-N 1 2 274.364 1.751 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000070695022 538423047 /nfs/dbraw/zinc/42/30/47/538423047.db2.gz LRELMIDQYNZKCD-UKRRQHHQSA-N 1 2 274.364 1.751 20 30 CDEDLO CO[C@H]1C[C@@H](C(=O)Nc2cccc3c2OCCO3)[N@@H+](C)C1 ZINC000328959868 538443851 /nfs/dbraw/zinc/44/38/51/538443851.db2.gz QDBSUAFITOQEAV-JQWIXIFHSA-N 1 2 292.335 1.765 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000727779694 574598477 /nfs/dbraw/zinc/59/84/77/574598477.db2.gz QBUORISEAVBFMF-MRVPVSSYSA-N 1 2 273.296 1.099 20 30 CDEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCc3c[nH]nc3C2)cc1 ZINC000750721049 574605466 /nfs/dbraw/zinc/60/54/66/574605466.db2.gz UISBWULTOYHYOP-HNNXBMFYSA-N 1 2 268.320 1.373 20 30 CDEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCc3c[nH]nc3C2)cc1 ZINC000750721049 574605467 /nfs/dbraw/zinc/60/54/67/574605467.db2.gz UISBWULTOYHYOP-HNNXBMFYSA-N 1 2 268.320 1.373 20 30 CDEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCc3cn[nH]c3C2)cc1 ZINC000750721049 574605468 /nfs/dbraw/zinc/60/54/68/574605468.db2.gz UISBWULTOYHYOP-HNNXBMFYSA-N 1 2 268.320 1.373 20 30 CDEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCc3cn[nH]c3C2)cc1 ZINC000750721049 574605469 /nfs/dbraw/zinc/60/54/69/574605469.db2.gz UISBWULTOYHYOP-HNNXBMFYSA-N 1 2 268.320 1.373 20 30 CDEDLO C[C@@H](C#N)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000733891016 575144467 /nfs/dbraw/zinc/14/44/67/575144467.db2.gz JTWUKHXTGLWELQ-JTQLQIEISA-N 1 2 255.281 1.043 20 30 CDEDLO C[C@H]([NH2+]CC(=O)NCCC#N)c1c(F)cccc1F ZINC000774869134 575247681 /nfs/dbraw/zinc/24/76/81/575247681.db2.gz QRYPTVFJKYPPKL-VIFPVBQESA-N 1 2 267.279 1.645 20 30 CDEDLO CC#CCCNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000774979299 575258107 /nfs/dbraw/zinc/25/81/07/575258107.db2.gz SVGRPSNQDCTBLC-CYBMUJFWSA-N 1 2 274.368 1.723 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CCCC(F)(F)F)CC1 ZINC000770754542 575495586 /nfs/dbraw/zinc/49/55/86/575495586.db2.gz VAYWVFCNUXAFGN-UHFFFAOYSA-N 1 2 262.275 1.496 20 30 CDEDLO C#C[C@H](C)NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000773605937 575829555 /nfs/dbraw/zinc/82/95/55/575829555.db2.gz YJRFQXWIXFRZNN-LBPRGKRZSA-N 1 2 277.393 1.597 20 30 CDEDLO C[C@@H]1CC(=NNS(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000764700981 575935674 /nfs/dbraw/zinc/93/56/74/575935674.db2.gz VEQQTZZYWZRMRT-LLVKDONJSA-N 1 2 281.381 1.186 20 30 CDEDLO C[C@@H]1CC(=NNS(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC000764700981 575935677 /nfs/dbraw/zinc/93/56/77/575935677.db2.gz VEQQTZZYWZRMRT-LLVKDONJSA-N 1 2 281.381 1.186 20 30 CDEDLO COc1cccc(O)c1/C=N/CC1([NH+]2CCOCC2)CC1 ZINC000765970402 576067415 /nfs/dbraw/zinc/06/74/15/576067415.db2.gz NMCXMOQFUOUGIJ-GZTJUZNOSA-N 1 2 290.363 1.685 20 30 CDEDLO N#CCCNC(=O)C[N@@H+]1CCc2cccc(F)c2C1 ZINC000767778412 576228495 /nfs/dbraw/zinc/22/84/95/576228495.db2.gz JEJYZUHZTQVVAZ-UHFFFAOYSA-N 1 2 261.300 1.214 20 30 CDEDLO N#CCCNC(=O)C[N@H+]1CCc2cccc(F)c2C1 ZINC000767778412 576228497 /nfs/dbraw/zinc/22/84/97/576228497.db2.gz JEJYZUHZTQVVAZ-UHFFFAOYSA-N 1 2 261.300 1.214 20 30 CDEDLO C=C(C)CN(CC)C(=O)CO[NH+]=C(N)COC(C)(C)C ZINC000768932427 576318154 /nfs/dbraw/zinc/31/81/54/576318154.db2.gz OBUGWHDRONRBGA-UHFFFAOYSA-N 1 2 285.388 1.725 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)nc1 ZINC000759469101 576392766 /nfs/dbraw/zinc/39/27/66/576392766.db2.gz JRJLRYDQHQCAQN-XJKSGUPXSA-N 1 2 294.358 1.983 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000760454910 576485598 /nfs/dbraw/zinc/48/55/98/576485598.db2.gz NEQBYJJZMLYZDL-AWEZNQCLSA-N 1 2 289.379 1.819 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000760454910 576485599 /nfs/dbraw/zinc/48/55/99/576485599.db2.gz NEQBYJJZMLYZDL-AWEZNQCLSA-N 1 2 289.379 1.819 20 30 CDEDLO C#Cc1ccc(C(=O)Nc2cccc3[nH+]ccn32)cn1 ZINC000741969621 576579434 /nfs/dbraw/zinc/57/94/34/576579434.db2.gz FVOJLSOJZKURMC-UHFFFAOYSA-N 1 2 262.272 1.963 20 30 CDEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)c1nccn1C ZINC000761834399 576596185 /nfs/dbraw/zinc/59/61/85/576596185.db2.gz JTDKFODXPBPDEW-UHFFFAOYSA-N 1 2 282.311 1.232 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)[C@@H](C)c2ccc(C)o2)CC1 ZINC000742670033 576611842 /nfs/dbraw/zinc/61/18/42/576611842.db2.gz DQXDVRRQOLLCTR-ZDUSSCGKSA-N 1 2 260.337 1.469 20 30 CDEDLO Oc1ccc(/C=[NH+]\CCc2nnc3ccccn32)c(O)c1O ZINC000743341249 576633621 /nfs/dbraw/zinc/63/36/21/576633621.db2.gz WBUUEPUMNZBABQ-SXGWCWSVSA-N 1 2 298.302 1.508 20 30 CDEDLO COCC#CC[NH+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000762925595 576694022 /nfs/dbraw/zinc/69/40/22/576694022.db2.gz IQDNEHNCFJGSBU-ZIAGYGMSSA-N 1 2 296.411 1.966 20 30 CDEDLO C#CCNC(=O)C[N@H+](Cc1ccccc1F)C(C)C ZINC000746133230 576755684 /nfs/dbraw/zinc/75/56/84/576755684.db2.gz IJQZLGZLYSSLAM-UHFFFAOYSA-N 1 2 262.328 1.786 20 30 CDEDLO C#CCNC(=O)C[N@@H+](Cc1ccccc1F)C(C)C ZINC000746133230 576755687 /nfs/dbraw/zinc/75/56/87/576755687.db2.gz IJQZLGZLYSSLAM-UHFFFAOYSA-N 1 2 262.328 1.786 20 30 CDEDLO COCC#CC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000753864053 576863341 /nfs/dbraw/zinc/86/33/41/576863341.db2.gz ZFGSWRWZYNXYDU-ZDUSSCGKSA-N 1 2 282.384 1.577 20 30 CDEDLO COCC#CC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000753864053 576863342 /nfs/dbraw/zinc/86/33/42/576863342.db2.gz ZFGSWRWZYNXYDU-ZDUSSCGKSA-N 1 2 282.384 1.577 20 30 CDEDLO Cc1cc(=O)nc(NN=C2C[C@@H](C)[N@@H+](C3CC3)C2)[nH]1 ZINC000753967854 576870691 /nfs/dbraw/zinc/87/06/91/576870691.db2.gz QPFSOLNKWJZDNX-SECBINFHSA-N 1 2 261.329 1.515 20 30 CDEDLO Cc1cc(=O)nc(NN=C2C[C@@H](C)[N@H+](C3CC3)C2)[nH]1 ZINC000753967854 576870692 /nfs/dbraw/zinc/87/06/92/576870692.db2.gz QPFSOLNKWJZDNX-SECBINFHSA-N 1 2 261.329 1.515 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2csc(C3CC3)n2)CC1 ZINC000747473825 576872101 /nfs/dbraw/zinc/87/21/01/576872101.db2.gz XGUGDXBPJOZKHK-UHFFFAOYSA-N 1 2 289.404 1.802 20 30 CDEDLO C[C@@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)C1CC1 ZINC000749385348 576946107 /nfs/dbraw/zinc/94/61/07/576946107.db2.gz SSHCPFVQGIWNHK-AWEZNQCLSA-N 1 2 293.411 1.497 20 30 CDEDLO C#CCN(CC)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000750387927 576986188 /nfs/dbraw/zinc/98/61/88/576986188.db2.gz CLNFZUBVVQILLO-UHFFFAOYSA-N 1 2 260.341 1.943 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@@]2(CCOC2)CC1=O ZINC000756844847 577008074 /nfs/dbraw/zinc/00/80/74/577008074.db2.gz CWORCLGLVANXAV-QGZVFWFLSA-N 1 2 299.374 1.587 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C[C@@]2(CCOC2)CC1=O ZINC000756844847 577008076 /nfs/dbraw/zinc/00/80/76/577008076.db2.gz CWORCLGLVANXAV-QGZVFWFLSA-N 1 2 299.374 1.587 20 30 CDEDLO Cc1nonc1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000751911331 577074131 /nfs/dbraw/zinc/07/41/31/577074131.db2.gz LKHLJFHIFIFVQL-UHFFFAOYSA-N 1 2 283.335 1.572 20 30 CDEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H]2COC)c1=S ZINC000751947749 577077600 /nfs/dbraw/zinc/07/76/00/577077600.db2.gz VQRRHEMMEMMMNC-GFCCVEGCSA-N 1 2 282.413 1.977 20 30 CDEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H]2COC)c1=S ZINC000751947749 577077601 /nfs/dbraw/zinc/07/76/01/577077601.db2.gz VQRRHEMMEMMMNC-GFCCVEGCSA-N 1 2 282.413 1.977 20 30 CDEDLO Cc1ccc(C)c(S(=O)(=O)NN=C2C[N@@H+](C)C[C@H]2C)c1 ZINC000752156040 577090631 /nfs/dbraw/zinc/09/06/31/577090631.db2.gz WGOWKHYGLWRTHI-GFCCVEGCSA-N 1 2 295.408 1.519 20 30 CDEDLO Cc1ccc(C)c(S(=O)(=O)NN=C2C[N@H+](C)C[C@H]2C)c1 ZINC000752156040 577090632 /nfs/dbraw/zinc/09/06/32/577090632.db2.gz WGOWKHYGLWRTHI-GFCCVEGCSA-N 1 2 295.408 1.519 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(CC)nn2C)C1 ZINC000957037065 612991663 /nfs/dbraw/zinc/99/16/63/612991663.db2.gz WYGKPVQGUHMSCO-UHFFFAOYSA-N 1 2 288.395 1.152 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cncc(Cl)c2)C1 ZINC000956956489 612992820 /nfs/dbraw/zinc/99/28/20/612992820.db2.gz ZQDOBQVIICEVDZ-UHFFFAOYSA-N 1 2 291.782 1.905 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc3c(o2)CCCC3)CC1 ZINC000948709250 613010799 /nfs/dbraw/zinc/01/07/99/613010799.db2.gz QBBCZUJQRBAHKO-UHFFFAOYSA-N 1 2 286.375 1.940 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2cnc(C3CC3)o2)CC1 ZINC000981355586 613159241 /nfs/dbraw/zinc/15/92/41/613159241.db2.gz JPJDENRWAODSMZ-UHFFFAOYSA-N 1 2 273.336 1.333 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2cnc(C3CC3)o2)CC1 ZINC000981355586 613159244 /nfs/dbraw/zinc/15/92/44/613159244.db2.gz JPJDENRWAODSMZ-UHFFFAOYSA-N 1 2 273.336 1.333 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2[nH]cnc2C)C1 ZINC000957469814 613296183 /nfs/dbraw/zinc/29/61/83/613296183.db2.gz ZVYQRQHYBJSNLD-UHFFFAOYSA-N 1 2 262.357 1.441 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(OCC)n[nH]2)C1 ZINC000950601714 613296627 /nfs/dbraw/zinc/29/66/27/613296627.db2.gz SUULCHCBTVDDIU-UHFFFAOYSA-N 1 2 292.383 1.531 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](C)Oc2cccnc2)CC1 ZINC000950417636 613317425 /nfs/dbraw/zinc/31/74/25/613317425.db2.gz ZJRNCDRHKUFQBE-CQSZACIVSA-N 1 2 289.379 1.569 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnc(C)cn2)C1 ZINC000969242312 613372388 /nfs/dbraw/zinc/37/23/88/613372388.db2.gz COAKWPLZHCIOSB-NSHDSACASA-N 1 2 294.786 1.588 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cscn2)C1 ZINC000969371277 613372511 /nfs/dbraw/zinc/37/25/11/613372511.db2.gz QNQAHJRSZVLSBY-VIFPVBQESA-N 1 2 285.800 1.946 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccn[nH]2)C(C)(C)C1 ZINC000972824239 613381183 /nfs/dbraw/zinc/38/11/83/613381183.db2.gz GHEKRUBZVMVXSG-NSHDSACASA-N 1 2 282.775 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccn[nH]2)C(C)(C)C1 ZINC000972824239 613381184 /nfs/dbraw/zinc/38/11/84/613381184.db2.gz GHEKRUBZVMVXSG-NSHDSACASA-N 1 2 282.775 1.602 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nnc(C)o2)C1 ZINC000969585716 613436518 /nfs/dbraw/zinc/43/65/18/613436518.db2.gz YUVODQUKYFJMBG-CMPLNLGQSA-N 1 2 292.383 1.842 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2cc(OC)ns2)CC1 ZINC000981186144 613553972 /nfs/dbraw/zinc/55/39/72/613553972.db2.gz LVRFOQGZAOHMHI-UHFFFAOYSA-N 1 2 293.392 1.323 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2cc(OC)ns2)CC1 ZINC000981186144 613553974 /nfs/dbraw/zinc/55/39/74/613553974.db2.gz LVRFOQGZAOHMHI-UHFFFAOYSA-N 1 2 293.392 1.323 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000949409860 613563307 /nfs/dbraw/zinc/56/33/07/613563307.db2.gz RZHASIRLYCHVPB-JKSUJKDBSA-N 1 2 290.407 1.502 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)CC)C2)C1 ZINC000972525038 613569990 /nfs/dbraw/zinc/56/99/90/613569990.db2.gz XPALXWUZDMBDSF-KRWDZBQOSA-N 1 2 292.423 1.749 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)CC)C2)C1 ZINC000972525038 613569991 /nfs/dbraw/zinc/56/99/91/613569991.db2.gz XPALXWUZDMBDSF-KRWDZBQOSA-N 1 2 292.423 1.749 20 30 CDEDLO O=C(NCC#C[C@H]1CCCCO1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000891115509 617365469 /nfs/dbraw/zinc/36/54/69/617365469.db2.gz FQPIMWKPOHGSBQ-UKRRQHHQSA-N 1 2 287.363 1.134 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2snnc2C)C1 ZINC000965031964 613595478 /nfs/dbraw/zinc/59/54/78/613595478.db2.gz JGINVCDYHYDNCC-CMPLNLGQSA-N 1 2 292.408 1.310 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2snnc2C)C1 ZINC000965031964 613595481 /nfs/dbraw/zinc/59/54/81/613595481.db2.gz JGINVCDYHYDNCC-CMPLNLGQSA-N 1 2 292.408 1.310 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)C2CCC(O)CC2)C1 ZINC000949988620 613653138 /nfs/dbraw/zinc/65/31/38/613653138.db2.gz JEIKTYFKCWJVDC-UHFFFAOYSA-N 1 2 266.385 1.256 20 30 CDEDLO C=CCN1CC(N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000950643145 613654114 /nfs/dbraw/zinc/65/41/14/613654114.db2.gz XGUYBMNWXWHVEF-CYBMUJFWSA-N 1 2 288.395 1.164 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccn(C)c2CC)C1 ZINC000951753980 613658439 /nfs/dbraw/zinc/65/84/39/613658439.db2.gz HACDBQWPXCETDD-UHFFFAOYSA-N 1 2 275.396 1.920 20 30 CDEDLO C=CC[N@H+]1CCCN(C(=O)c2cc(OC)ns2)CC1 ZINC000981186711 613696227 /nfs/dbraw/zinc/69/62/27/613696227.db2.gz YLBDZDDWCPIMNJ-UHFFFAOYSA-N 1 2 281.381 1.486 20 30 CDEDLO C=CC[N@@H+]1CCCN(C(=O)c2cc(OC)ns2)CC1 ZINC000981186711 613696229 /nfs/dbraw/zinc/69/62/29/613696229.db2.gz YLBDZDDWCPIMNJ-UHFFFAOYSA-N 1 2 281.381 1.486 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000951130756 613708439 /nfs/dbraw/zinc/70/84/39/613708439.db2.gz NJWJATBLUVNSHP-LSDHHAIUSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000949390502 613711047 /nfs/dbraw/zinc/71/10/47/613711047.db2.gz QHBNYHDYRBZWIX-KGLIPLIRSA-N 1 2 264.369 1.132 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]nc2[C@H]2CCCO2)CC1 ZINC000949817148 613714559 /nfs/dbraw/zinc/71/45/59/613714559.db2.gz RLZDCEPFLSNAPS-CYBMUJFWSA-N 1 2 290.367 1.205 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(Cl)cn2)CC1 ZINC000957400991 613716456 /nfs/dbraw/zinc/71/64/56/613716456.db2.gz JUJNVAKYEGNEKS-UHFFFAOYSA-N 1 2 265.744 1.679 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC3CCC3)C2)C1 ZINC000972316622 613723704 /nfs/dbraw/zinc/72/37/04/613723704.db2.gz NGDHYFRBAFDNKZ-INIZCTEOSA-N 1 2 278.396 1.666 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC3CCC3)C2)C1 ZINC000972316622 613723705 /nfs/dbraw/zinc/72/37/05/613723705.db2.gz NGDHYFRBAFDNKZ-INIZCTEOSA-N 1 2 278.396 1.666 20 30 CDEDLO C#CCSCC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000893175543 617439694 /nfs/dbraw/zinc/43/96/94/617439694.db2.gz DLLOBDLDEWWMRT-AWEZNQCLSA-N 1 2 274.389 1.656 20 30 CDEDLO C#CCSCC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000893175543 617439696 /nfs/dbraw/zinc/43/96/96/617439696.db2.gz DLLOBDLDEWWMRT-AWEZNQCLSA-N 1 2 274.389 1.656 20 30 CDEDLO CCN(C(C)=O)C1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000949544332 614817779 /nfs/dbraw/zinc/81/77/79/614817779.db2.gz HHVQCTNRYDGILH-UHFFFAOYSA-N 1 2 257.337 1.611 20 30 CDEDLO C#C[C@H](NC(=O)N[C@H](CC)C[NH+]1CCOCC1)C(C)(C)C ZINC000925602639 617545382 /nfs/dbraw/zinc/54/53/82/617545382.db2.gz VNXCCAYQQRLKLI-KGLIPLIRSA-N 1 2 295.427 1.444 20 30 CDEDLO C#CCC[NH+]1CCN(c2cncc(F)c2C(C)=O)CC1 ZINC000892315623 617765886 /nfs/dbraw/zinc/76/58/86/617765886.db2.gz SPIZHROOYIZHNR-UHFFFAOYSA-N 1 2 275.327 1.569 20 30 CDEDLO C=CCCCN(CC)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000892872972 617849594 /nfs/dbraw/zinc/84/95/94/617849594.db2.gz ZMVHINMMQAFEDY-OAHLLOKOSA-N 1 2 296.459 1.620 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2csc(C#N)c2)[C@H](C(N)=O)C1 ZINC000893715129 617950943 /nfs/dbraw/zinc/95/09/43/617950943.db2.gz CHLHYNSAWUHUTL-SKDRFNHKSA-N 1 2 263.366 1.706 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2csc(C#N)c2)[C@H](C(N)=O)C1 ZINC000893715129 617950951 /nfs/dbraw/zinc/95/09/51/617950951.db2.gz CHLHYNSAWUHUTL-SKDRFNHKSA-N 1 2 263.366 1.706 20 30 CDEDLO Cc1ncoc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000893919795 618177308 /nfs/dbraw/zinc/17/73/08/618177308.db2.gz VZZIFVAWRVHULT-UHFFFAOYSA-N 1 2 283.335 1.572 20 30 CDEDLO CN(C)c1cc(N(C)C[C@@H](O)c2cccc(C#N)c2)nc[nH+]1 ZINC000894379233 618835557 /nfs/dbraw/zinc/83/55/57/618835557.db2.gz KIQLHUXXPXIDGD-CQSZACIVSA-N 1 2 297.362 1.584 20 30 CDEDLO CN(C)c1cc(N(C)C[C@@H](O)c2cccc(C#N)c2)[nH+]cn1 ZINC000894379233 618835558 /nfs/dbraw/zinc/83/55/58/618835558.db2.gz KIQLHUXXPXIDGD-CQSZACIVSA-N 1 2 297.362 1.584 20 30 CDEDLO C#C[C@H]1CCCN(c2cc(N[C@@H](CC)CO)[nH+]cn2)C1 ZINC000894427510 618881581 /nfs/dbraw/zinc/88/15/81/618881581.db2.gz KNZMIPMBPSHRMD-STQMWFEESA-N 1 2 274.368 1.509 20 30 CDEDLO C#C[C@H]1CCCN(c2cc(N[C@@H](CC)CO)nc[nH+]2)C1 ZINC000894427510 618881584 /nfs/dbraw/zinc/88/15/84/618881584.db2.gz KNZMIPMBPSHRMD-STQMWFEESA-N 1 2 274.368 1.509 20 30 CDEDLO CCc1cnc(C[NH2+][C@H]2CCCN(O)C2=O)s1 ZINC000895162385 619382118 /nfs/dbraw/zinc/38/21/18/619382118.db2.gz YGYONGNOVMGSLU-VIFPVBQESA-N 1 2 255.343 1.175 20 30 CDEDLO CCc1nn(C)c(Cl)c1C[NH2+][C@H]1CCCN(O)C1=O ZINC000895166037 619395423 /nfs/dbraw/zinc/39/54/23/619395423.db2.gz OMKPKJNROHKEKE-JTQLQIEISA-N 1 2 286.763 1.106 20 30 CDEDLO CC(C)[C@@H](O)CCO[NH+]=C(N)c1ccc(F)cc1 ZINC000882948771 619617636 /nfs/dbraw/zinc/61/76/36/619617636.db2.gz KXTWEEJLCCADAP-LBPRGKRZSA-N 1 2 254.305 1.870 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000895739404 619818381 /nfs/dbraw/zinc/81/83/81/619818381.db2.gz AEUJJYKRNCPDGL-ZDUSSCGKSA-N 1 2 266.385 1.570 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccn(CC(C)C)n2)CC1 ZINC000895883732 619883450 /nfs/dbraw/zinc/88/34/50/619883450.db2.gz GUSVESFWODELEB-UHFFFAOYSA-N 1 2 288.395 1.320 20 30 CDEDLO C#CCSCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000896153885 620011604 /nfs/dbraw/zinc/01/16/04/620011604.db2.gz ZULWBDUILADEHD-GFCCVEGCSA-N 1 2 263.366 1.413 20 30 CDEDLO C=C[C@H](CC)CC(=O)N[C@@H](Cn1cc[nH+]c1)C(=O)OC ZINC000898081526 621320495 /nfs/dbraw/zinc/32/04/95/621320495.db2.gz JEVZSNIDZFMVOM-NEPJUHHUSA-N 1 2 279.340 1.143 20 30 CDEDLO C=C[C@@H](C)ONC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000898281004 621457616 /nfs/dbraw/zinc/45/76/16/621457616.db2.gz NNQNKAZYFRIHFU-SKDRFNHKSA-N 1 2 264.329 1.412 20 30 CDEDLO C=C[C@@H](C)ONC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000898281004 621457634 /nfs/dbraw/zinc/45/76/34/621457634.db2.gz NNQNKAZYFRIHFU-SKDRFNHKSA-N 1 2 264.329 1.412 20 30 CDEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)nn1 ZINC000898503435 621778743 /nfs/dbraw/zinc/77/87/43/621778743.db2.gz LMMNJXBXJGHETJ-GFCCVEGCSA-N 1 2 295.362 1.018 20 30 CDEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)nn1 ZINC000898503435 621778746 /nfs/dbraw/zinc/77/87/46/621778746.db2.gz LMMNJXBXJGHETJ-GFCCVEGCSA-N 1 2 295.362 1.018 20 30 CDEDLO C=CCCC[C@H]([NH3+])c1nc(CS(=O)(=O)CC)no1 ZINC000904636641 626327727 /nfs/dbraw/zinc/32/77/27/626327727.db2.gz CZQOALXMXSVFFM-VIFPVBQESA-N 1 2 273.358 1.360 20 30 CDEDLO C#CCNC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000905142634 626654656 /nfs/dbraw/zinc/65/46/56/626654656.db2.gz WSXACYUDXQGUEC-UHFFFAOYSA-N 1 2 258.325 1.301 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000905722537 626946533 /nfs/dbraw/zinc/94/65/33/626946533.db2.gz JEHRMDIYGVMSNI-YGRLFVJLSA-N 1 2 274.320 1.554 20 30 CDEDLO N#C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000905722537 626946536 /nfs/dbraw/zinc/94/65/36/626946536.db2.gz JEHRMDIYGVMSNI-YGRLFVJLSA-N 1 2 274.320 1.554 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000905723212 626947013 /nfs/dbraw/zinc/94/70/13/626947013.db2.gz YYXISXWOZJJZSL-JTQLQIEISA-N 1 2 260.293 1.856 20 30 CDEDLO N#C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000905723212 626947016 /nfs/dbraw/zinc/94/70/16/626947016.db2.gz YYXISXWOZJJZSL-JTQLQIEISA-N 1 2 260.293 1.856 20 30 CDEDLO C#CC[C@H](CCOC)[NH2+][C@@H](C(=O)OC)[C@H](C)CC ZINC000905775848 626959054 /nfs/dbraw/zinc/95/90/54/626959054.db2.gz CBXUABOPQRDDKZ-JHJVBQTASA-N 1 2 255.358 1.592 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccsc1C#N ZINC000906199875 627146750 /nfs/dbraw/zinc/14/67/50/627146750.db2.gz REPUXYVUVAZDRS-VIFPVBQESA-N 1 2 260.322 1.635 20 30 CDEDLO COCC[NH+]1CCN(C(=O)c2ccsc2C#N)CC1 ZINC000906671542 627366567 /nfs/dbraw/zinc/36/65/67/627366567.db2.gz RPCQCMMJUSXELY-UHFFFAOYSA-N 1 2 279.365 1.024 20 30 CDEDLO C[Si](C)(C)C#CCCNC(=O)CCn1cc[nH+]c1 ZINC000912332105 629912841 /nfs/dbraw/zinc/91/28/41/629912841.db2.gz FKMZYUBUPZOTSH-UHFFFAOYSA-N 1 2 263.417 1.660 20 30 CDEDLO C=CCC(F)(F)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913459484 630490068 /nfs/dbraw/zinc/49/00/68/630490068.db2.gz CMTMZRJVONZBQJ-LLVKDONJSA-N 1 2 284.310 1.104 20 30 CDEDLO c1cnc(N=NC2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000915958884 631874232 /nfs/dbraw/zinc/87/42/32/631874232.db2.gz BKQTVKDXXFQHFD-UHFFFAOYSA-N 1 2 268.324 1.940 20 30 CDEDLO C=CC[N@@H+](C)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000154987043 632597000 /nfs/dbraw/zinc/59/70/00/632597000.db2.gz WEJAPEYPYFADJE-UHFFFAOYSA-N 1 2 298.346 1.398 20 30 CDEDLO C=CC[N@H+](C)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000154987043 632597009 /nfs/dbraw/zinc/59/70/09/632597009.db2.gz WEJAPEYPYFADJE-UHFFFAOYSA-N 1 2 298.346 1.398 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@@H]2C(NC(=O)/C(C)=C\C)[C@@H]2C1 ZINC001114123433 1162427759 /nfs/dbraw/zinc/42/77/59/1162427759.db2.gz ZMZLQOIETOPWIP-VJLFNNRRSA-N 1 2 299.212 1.908 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@@H]2C(NC(=O)/C(C)=C\C)[C@@H]2C1 ZINC001114123433 1162427760 /nfs/dbraw/zinc/42/77/60/1162427760.db2.gz ZMZLQOIETOPWIP-VJLFNNRRSA-N 1 2 299.212 1.908 20 30 CDEDLO Cc1nc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)C)co1 ZINC001114247650 1162460218 /nfs/dbraw/zinc/46/02/18/1162460218.db2.gz OCHZLRIIKIDHQT-FOLVSLTJSA-N 1 2 287.363 1.189 20 30 CDEDLO Cc1nc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)C)co1 ZINC001114247650 1162460220 /nfs/dbraw/zinc/46/02/20/1162460220.db2.gz OCHZLRIIKIDHQT-FOLVSLTJSA-N 1 2 287.363 1.189 20 30 CDEDLO C=C(C)CCC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC001346798581 1158577076 /nfs/dbraw/zinc/57/70/76/1158577076.db2.gz AEISYZIOYBJKPB-UHFFFAOYSA-N 1 2 254.374 1.570 20 30 CDEDLO C=C(C)CCC(=O)NCC[N@H+]1CCOCC1(C)C ZINC001346798581 1158577079 /nfs/dbraw/zinc/57/70/79/1158577079.db2.gz AEISYZIOYBJKPB-UHFFFAOYSA-N 1 2 254.374 1.570 20 30 CDEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(F)F)CC[C@H]1C ZINC001131737998 1163023080 /nfs/dbraw/zinc/02/30/80/1163023080.db2.gz CZDOHWCMBFIZJA-NEPJUHHUSA-N 1 2 288.338 1.261 20 30 CDEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C(C)(F)F)CC[C@H]1C ZINC001131737998 1163023087 /nfs/dbraw/zinc/02/30/87/1163023087.db2.gz CZDOHWCMBFIZJA-NEPJUHHUSA-N 1 2 288.338 1.261 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C[C@@H](C)SC)C1 ZINC001753649536 1159869881 /nfs/dbraw/zinc/86/98/81/1159869881.db2.gz GKPIJWBBKMVHKQ-CHWSQXEVSA-N 1 2 286.441 1.521 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C[C@@H](C)SC)C1 ZINC001753649536 1159869893 /nfs/dbraw/zinc/86/98/93/1159869893.db2.gz GKPIJWBBKMVHKQ-CHWSQXEVSA-N 1 2 286.441 1.521 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@H](OCC)C(=C)C)CC1 ZINC001112906650 1162057447 /nfs/dbraw/zinc/05/74/47/1162057447.db2.gz KONHYXATAPUZPA-AWEZNQCLSA-N 1 2 266.385 1.688 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)OCc2ccccc2)CC1 ZINC001113387519 1162166061 /nfs/dbraw/zinc/16/60/61/1162166061.db2.gz CWFBSAQNBBGXHS-OAHLLOKOSA-N 1 2 288.391 1.922 20 30 CDEDLO C#CCCCCC(=O)NC[C@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113561188 1162222233 /nfs/dbraw/zinc/22/22/33/1162222233.db2.gz UTAFPSJHOFFICD-ZDUSSCGKSA-N 1 2 288.395 1.920 20 30 CDEDLO C=CC[N@H+](Cc1cnc2c(-c3nn[nH]n3)cnn2c1)C1CC1 ZINC001609057384 1164749749 /nfs/dbraw/zinc/74/97/49/1164749749.db2.gz OVDWPDFSJPYFOI-UHFFFAOYSA-N 1 2 296.338 1.060 20 30 CDEDLO C=CC[N@@H+](Cc1cnc2c(-c3nn[nH]n3)cnn2c1)C1CC1 ZINC001609057384 1164749757 /nfs/dbraw/zinc/74/97/57/1164749757.db2.gz OVDWPDFSJPYFOI-UHFFFAOYSA-N 1 2 296.338 1.060 20 30 CDEDLO N#Cc1cc(CNC(=O)c2cc3c[nH+]ccc3[nH]2)ccn1 ZINC001635749420 1166615948 /nfs/dbraw/zinc/61/59/48/1166615948.db2.gz KFANZDOLBHJFEP-UHFFFAOYSA-N 1 2 277.287 1.760 20 30 CDEDLO N#CC1(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCC1 ZINC001592669309 1173960797 /nfs/dbraw/zinc/96/07/97/1173960797.db2.gz GJDWLTGLSDQGCD-UHFFFAOYSA-N 1 2 286.314 1.789 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](O)C(C)C ZINC001713484032 1178599220 /nfs/dbraw/zinc/59/92/20/1178599220.db2.gz SQBZXVVMRVOVLF-LLVKDONJSA-N 1 2 262.781 1.194 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](O)C(C)C ZINC001713484032 1178599227 /nfs/dbraw/zinc/59/92/27/1178599227.db2.gz SQBZXVVMRVOVLF-LLVKDONJSA-N 1 2 262.781 1.194 20 30 CDEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001714329557 1179087476 /nfs/dbraw/zinc/08/74/76/1179087476.db2.gz WEJZHOBTACWAGH-NEPJUHHUSA-N 1 2 294.424 1.831 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCCC[N@H+](C)Cc1cnon1 ZINC001752056164 1184813040 /nfs/dbraw/zinc/81/30/40/1184813040.db2.gz NUCRBLOSAWPDQG-AWEZNQCLSA-N 1 2 280.372 1.610 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCCC[N@@H+](C)Cc1cnon1 ZINC001752056164 1184813045 /nfs/dbraw/zinc/81/30/45/1184813045.db2.gz NUCRBLOSAWPDQG-AWEZNQCLSA-N 1 2 280.372 1.610 20 30 CDEDLO C#CCN1CC[NH+](CCNC(=O)CCCCCC)CC1 ZINC001752375523 1184857170 /nfs/dbraw/zinc/85/71/70/1184857170.db2.gz PNTSDEBIGWIMNO-UHFFFAOYSA-N 1 2 279.428 1.324 20 30 CDEDLO C#CCCCC(=O)NC[C@H]1CC[N@@H+](Cc2nc(C)no2)C1 ZINC001753124378 1185073633 /nfs/dbraw/zinc/07/36/33/1185073633.db2.gz ZAXDDVOTMCHSBB-CYBMUJFWSA-N 1 2 290.367 1.120 20 30 CDEDLO C#CCCCC(=O)NC[C@H]1CC[N@H+](Cc2nc(C)no2)C1 ZINC001753124378 1185073639 /nfs/dbraw/zinc/07/36/39/1185073639.db2.gz ZAXDDVOTMCHSBB-CYBMUJFWSA-N 1 2 290.367 1.120 20 30 CDEDLO CC(C)(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001753304845 1185147792 /nfs/dbraw/zinc/14/77/92/1185147792.db2.gz DJAVEQBLDTYGEW-BETUJISGSA-N 1 2 266.360 1.681 20 30 CDEDLO CC(C)(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001753304845 1185147795 /nfs/dbraw/zinc/14/77/95/1185147795.db2.gz DJAVEQBLDTYGEW-BETUJISGSA-N 1 2 266.360 1.681 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)C#N)C1 ZINC001753434933 1185205520 /nfs/dbraw/zinc/20/55/20/1185205520.db2.gz ZJEUVFFRJLGVDS-KOLCDFICSA-N 1 2 255.749 1.431 20 30 CDEDLO CCC[C@H](C)C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001753344224 1185162284 /nfs/dbraw/zinc/16/22/84/1185162284.db2.gz VYXFTNOCAPYGIZ-AWEZNQCLSA-N 1 2 280.416 1.022 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)C#N)C1 ZINC001753434933 1185205515 /nfs/dbraw/zinc/20/55/15/1185205515.db2.gz ZJEUVFFRJLGVDS-KOLCDFICSA-N 1 2 255.749 1.431 20 30 CDEDLO C=C(C)CCC(=O)NC[C@H](CC)[NH2+]Cc1nnc(C)o1 ZINC001753475339 1185227580 /nfs/dbraw/zinc/22/75/80/1185227580.db2.gz OTVNLCMKSXGVMN-LBPRGKRZSA-N 1 2 280.372 1.719 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)CCCOC(C)C)C1 ZINC001753657551 1185290180 /nfs/dbraw/zinc/29/01/80/1185290180.db2.gz DKYZZMLYLSTCIQ-OAHLLOKOSA-N 1 2 298.427 1.585 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)CCCOC(C)C)C1 ZINC001753657551 1185290187 /nfs/dbraw/zinc/29/01/87/1185290187.db2.gz DKYZZMLYLSTCIQ-OAHLLOKOSA-N 1 2 298.427 1.585 20 30 CDEDLO C=CCCCC(=O)N[C@@H](C)C[N@H+](C)Cc1cnnn1C ZINC001754323765 1185577206 /nfs/dbraw/zinc/57/72/06/1185577206.db2.gz MGVPUYUNEHGPML-LBPRGKRZSA-N 1 2 279.388 1.108 20 30 CDEDLO C=CCCCC(=O)N[C@@H](C)C[N@@H+](C)Cc1cnnn1C ZINC001754323765 1185577209 /nfs/dbraw/zinc/57/72/09/1185577209.db2.gz MGVPUYUNEHGPML-LBPRGKRZSA-N 1 2 279.388 1.108 20 30 CDEDLO C=Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2CC#CCOC)cc1 ZINC001754493447 1185639752 /nfs/dbraw/zinc/63/97/52/1185639752.db2.gz AXMBQNNDYLBMON-KRWDZBQOSA-N 1 2 298.386 1.784 20 30 CDEDLO C=Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CC#CCOC)cc1 ZINC001754493447 1185639756 /nfs/dbraw/zinc/63/97/56/1185639756.db2.gz AXMBQNNDYLBMON-KRWDZBQOSA-N 1 2 298.386 1.784 20 30 CDEDLO CC#CCCCC(=O)NC[C@H]1CC[N@@H+]1Cc1cccnc1 ZINC001754491912 1185640535 /nfs/dbraw/zinc/64/05/35/1185640535.db2.gz RPAARBFIHNJJAO-MRXNPFEDSA-N 1 2 285.391 1.966 20 30 CDEDLO CC#CCCCC(=O)NC[C@H]1CC[N@H+]1Cc1cccnc1 ZINC001754491912 1185640541 /nfs/dbraw/zinc/64/05/41/1185640541.db2.gz RPAARBFIHNJJAO-MRXNPFEDSA-N 1 2 285.391 1.966 20 30 CDEDLO CC(C)C#CC(=O)NCC1([NH2+][C@H](C)c2csnn2)CC1 ZINC001754513918 1185653947 /nfs/dbraw/zinc/65/39/47/1185653947.db2.gz JPFIMFWURPGRCX-LLVKDONJSA-N 1 2 292.408 1.497 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CNC(=O)CC(C)(C)C)C1 ZINC001754587077 1185675954 /nfs/dbraw/zinc/67/59/54/1185675954.db2.gz BEOSFRAKMVDIHP-UHFFFAOYSA-N 1 2 295.427 1.258 20 30 CDEDLO Cc1cccc(C[NH+]2CC(O)(CNC(=O)C#CC3CC3)C2)c1 ZINC001754767119 1185727894 /nfs/dbraw/zinc/72/78/94/1185727894.db2.gz GBIGGNMBCDNKPN-UHFFFAOYSA-N 1 2 298.386 1.071 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H](C)COC)CO2 ZINC001755065775 1185805855 /nfs/dbraw/zinc/80/58/55/1185805855.db2.gz RKTNMNXWGPDUPW-ZIAGYGMSSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nc(C)no1 ZINC001755237677 1185871471 /nfs/dbraw/zinc/87/14/71/1185871471.db2.gz RBEAXGNGYFGBLN-MNOVXSKESA-N 1 2 294.399 1.963 20 30 CDEDLO C=CCCC(=O)NCC1=CC[N@H+](Cc2ccon2)CC1 ZINC001755882285 1186100026 /nfs/dbraw/zinc/10/00/26/1186100026.db2.gz BAFQGTPCMOCFLX-UHFFFAOYSA-N 1 2 275.352 1.889 20 30 CDEDLO C=CCCC(=O)NCC1=CC[N@@H+](Cc2ccon2)CC1 ZINC001755882285 1186100027 /nfs/dbraw/zinc/10/00/27/1186100027.db2.gz BAFQGTPCMOCFLX-UHFFFAOYSA-N 1 2 275.352 1.889 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)Cc2c[nH]cn2)CC1 ZINC001755893752 1186103955 /nfs/dbraw/zinc/10/39/55/1186103955.db2.gz DPECMQWPSASHIT-UHFFFAOYSA-N 1 2 294.786 1.453 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)Cc2c[nH]cn2)CC1 ZINC001755893752 1186103957 /nfs/dbraw/zinc/10/39/57/1186103957.db2.gz DPECMQWPSASHIT-UHFFFAOYSA-N 1 2 294.786 1.453 20 30 CDEDLO C=CC[NH+]1CCN(c2nc(C#N)c(C#N)nc2CC)CC1 ZINC001165036168 721873027 /nfs/dbraw/zinc/87/30/27/721873027.db2.gz ZOMSFTVTHXXODO-UHFFFAOYSA-N 1 2 282.351 1.090 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(Cl)cncc1Cl ZINC001038670419 782299740 /nfs/dbraw/zinc/29/97/40/782299740.db2.gz TWLCRFKMNSOIIR-SECBINFHSA-N 1 2 298.173 1.826 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(Cl)cncc1Cl ZINC001038670419 782299748 /nfs/dbraw/zinc/29/97/48/782299748.db2.gz TWLCRFKMNSOIIR-SECBINFHSA-N 1 2 298.173 1.826 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2CC2CC2)CC1 ZINC000830454568 782305242 /nfs/dbraw/zinc/30/52/42/782305242.db2.gz LZGRFWOEALXBHI-UHFFFAOYSA-N 1 2 285.395 1.321 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)n(C(F)F)n1 ZINC001038295577 782327904 /nfs/dbraw/zinc/32/79/04/782327904.db2.gz GZHJRKYVBQHMOK-LLVKDONJSA-N 1 2 296.321 1.414 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)n(C(F)F)n1 ZINC001038295577 782327920 /nfs/dbraw/zinc/32/79/20/782327920.db2.gz GZHJRKYVBQHMOK-LLVKDONJSA-N 1 2 296.321 1.414 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cncc(C)c2)C1 ZINC001043477682 782452659 /nfs/dbraw/zinc/45/26/59/782452659.db2.gz FOESHGIVFKJDNG-UHFFFAOYSA-N 1 2 259.353 1.261 20 30 CDEDLO C=CC(C)(C)CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000838112949 782464373 /nfs/dbraw/zinc/46/43/73/782464373.db2.gz CRXDSMAUKBKBHE-GFCCVEGCSA-N 1 2 269.389 1.219 20 30 CDEDLO C=CC(C)(C)CNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000838112949 782464381 /nfs/dbraw/zinc/46/43/81/782464381.db2.gz CRXDSMAUKBKBHE-GFCCVEGCSA-N 1 2 269.389 1.219 20 30 CDEDLO C=CCC[N@H+]1CC[C@](C)(NC(=O)c2c[nH]cc3ncnc2-3)C1 ZINC001046337193 782485441 /nfs/dbraw/zinc/48/54/41/782485441.db2.gz XXHJPCFDVSKKOD-INIZCTEOSA-N 1 2 299.378 1.728 20 30 CDEDLO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2c[nH]cc3ncnc2-3)C1 ZINC001046337193 782485445 /nfs/dbraw/zinc/48/54/45/782485445.db2.gz XXHJPCFDVSKKOD-INIZCTEOSA-N 1 2 299.378 1.728 20 30 CDEDLO C=CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2ncccn2)CC1 ZINC000886772325 782506719 /nfs/dbraw/zinc/50/67/19/782506719.db2.gz WYFVFVNFAVRSBU-LBPRGKRZSA-N 1 2 290.367 1.207 20 30 CDEDLO C[C@H](Nc1nc(Cl)c(C#N)s1)[C@H]1C[N@H+](C)CCO1 ZINC000804561804 782565804 /nfs/dbraw/zinc/56/58/04/782565804.db2.gz QRHCXAMVBNGISZ-JGVFFNPUSA-N 1 2 286.788 1.799 20 30 CDEDLO C[C@H](Nc1nc(Cl)c(C#N)s1)[C@H]1C[N@@H+](C)CCO1 ZINC000804561804 782565809 /nfs/dbraw/zinc/56/58/09/782565809.db2.gz QRHCXAMVBNGISZ-JGVFFNPUSA-N 1 2 286.788 1.799 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnc3nccn3c2)C1 ZINC001043344182 780964026 /nfs/dbraw/zinc/96/40/26/780964026.db2.gz OOXCYPWQSVYXGC-UHFFFAOYSA-N 1 2 285.351 1.062 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(CC2CC2)n1 ZINC001038867559 782684877 /nfs/dbraw/zinc/68/48/77/782684877.db2.gz FKBPYHFBAHLXSQ-GFCCVEGCSA-N 1 2 275.352 1.617 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(CC2CC2)n1 ZINC001038867559 782684892 /nfs/dbraw/zinc/68/48/92/782684892.db2.gz FKBPYHFBAHLXSQ-GFCCVEGCSA-N 1 2 275.352 1.617 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000800471610 782715859 /nfs/dbraw/zinc/71/58/59/782715859.db2.gz UITVDDBTSCXZKP-UHFFFAOYSA-N 1 2 260.312 1.242 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CCc2cc(F)cc(C)c2C1 ZINC000800471610 782715875 /nfs/dbraw/zinc/71/58/75/782715875.db2.gz UITVDDBTSCXZKP-UHFFFAOYSA-N 1 2 260.312 1.242 20 30 CDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)OCCc1c[nH+]cn1C ZINC000793252387 782725945 /nfs/dbraw/zinc/72/59/45/782725945.db2.gz ZFNPSVAPNLNWEA-LBPRGKRZSA-N 1 2 299.330 1.845 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2[nH]c(C)nc21 ZINC001038889563 782741563 /nfs/dbraw/zinc/74/15/63/782741563.db2.gz CIAULTJMHPAQKF-LBPRGKRZSA-N 1 2 282.347 1.309 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2[nH]c(C)nc21 ZINC001038889563 782741572 /nfs/dbraw/zinc/74/15/72/782741572.db2.gz CIAULTJMHPAQKF-LBPRGKRZSA-N 1 2 282.347 1.309 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CCCC2CC2)C1 ZINC000885507961 782796480 /nfs/dbraw/zinc/79/64/80/782796480.db2.gz AHCXOUKMYRHXRA-CQSZACIVSA-N 1 2 284.425 1.194 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCCC2CC2)C1 ZINC000885507961 782796496 /nfs/dbraw/zinc/79/64/96/782796496.db2.gz AHCXOUKMYRHXRA-CQSZACIVSA-N 1 2 284.425 1.194 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](CC)O1 ZINC001017594151 782808780 /nfs/dbraw/zinc/80/87/80/782808780.db2.gz OUTJWDSYAFXYBG-LXTVHRRPSA-N 1 2 276.380 1.252 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](CC)O1 ZINC001017594151 782808786 /nfs/dbraw/zinc/80/87/86/782808786.db2.gz OUTJWDSYAFXYBG-LXTVHRRPSA-N 1 2 276.380 1.252 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ncccn1 ZINC001049384933 782814122 /nfs/dbraw/zinc/81/41/22/782814122.db2.gz YQLSJQQUTBBBOX-MGPQQGTHSA-N 1 2 299.378 1.202 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ncccn1 ZINC001049384933 782814128 /nfs/dbraw/zinc/81/41/28/782814128.db2.gz YQLSJQQUTBBBOX-MGPQQGTHSA-N 1 2 299.378 1.202 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC001030620297 782862600 /nfs/dbraw/zinc/86/26/00/782862600.db2.gz FLLHPMRGGNTTPE-UHFFFAOYSA-N 1 2 299.374 1.196 20 30 CDEDLO C[C@H](CNC(=O)Cc1ccccc1CC#N)Cn1cc[nH+]c1 ZINC000777407034 782892208 /nfs/dbraw/zinc/89/22/08/782892208.db2.gz LJQNTQQLZBMWFI-CQSZACIVSA-N 1 2 296.374 1.944 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000800337075 782908851 /nfs/dbraw/zinc/90/88/51/782908851.db2.gz QSWVMGYZGSBANF-VXGBXAGGSA-N 1 2 298.383 1.561 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000800337075 782908853 /nfs/dbraw/zinc/90/88/53/782908853.db2.gz QSWVMGYZGSBANF-VXGBXAGGSA-N 1 2 298.383 1.561 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c[nH]ccc-2n1 ZINC001038418548 782934381 /nfs/dbraw/zinc/93/43/81/782934381.db2.gz WZPWSQSGWZYFMB-ZDUSSCGKSA-N 1 2 282.347 1.390 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2c[nH]ccc-2n1 ZINC001038418548 782934384 /nfs/dbraw/zinc/93/43/84/782934384.db2.gz WZPWSQSGWZYFMB-ZDUSSCGKSA-N 1 2 282.347 1.390 20 30 CDEDLO CC#CCN1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038418548 782934388 /nfs/dbraw/zinc/93/43/88/782934388.db2.gz WZPWSQSGWZYFMB-ZDUSSCGKSA-N 1 2 282.347 1.390 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]nc1C ZINC001017783562 782935404 /nfs/dbraw/zinc/93/54/04/782935404.db2.gz SWIAVIBURWTKCT-BETUJISGSA-N 1 2 272.352 1.030 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]nc1C ZINC001017783562 782935410 /nfs/dbraw/zinc/93/54/10/782935410.db2.gz SWIAVIBURWTKCT-BETUJISGSA-N 1 2 272.352 1.030 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C1=CCCC1)O2 ZINC001053590843 782943517 /nfs/dbraw/zinc/94/35/17/782943517.db2.gz QYSJTNDGNGMHEM-CQSZACIVSA-N 1 2 276.380 1.632 20 30 CDEDLO C=CCONC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000838711281 782961774 /nfs/dbraw/zinc/96/17/74/782961774.db2.gz QRXGTCSKVIHFIF-GFCCVEGCSA-N 1 2 263.297 1.362 20 30 CDEDLO CC(C)NC(=O)[C@H](C#N)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845442839 783304699 /nfs/dbraw/zinc/30/46/99/783304699.db2.gz JYXOMUHQFNKGLJ-WDEREUQCSA-N 1 2 262.313 1.068 20 30 CDEDLO C=CC[N@H+]1CC[C@](C)(NC(=O)c2n[nH]c3ccccc32)C1 ZINC001046811873 783017582 /nfs/dbraw/zinc/01/75/82/783017582.db2.gz PXUQTGQQPIAZFH-INIZCTEOSA-N 1 2 284.363 1.943 20 30 CDEDLO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2n[nH]c3ccccc32)C1 ZINC001046811873 783017585 /nfs/dbraw/zinc/01/75/85/783017585.db2.gz PXUQTGQQPIAZFH-INIZCTEOSA-N 1 2 284.363 1.943 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(CC)s2)C1 ZINC001035435362 783043289 /nfs/dbraw/zinc/04/32/89/783043289.db2.gz PNTQLLFZHOUZBI-LBPRGKRZSA-N 1 2 294.420 1.927 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(CC)s2)C1 ZINC001035435362 783043297 /nfs/dbraw/zinc/04/32/97/783043297.db2.gz PNTQLLFZHOUZBI-LBPRGKRZSA-N 1 2 294.420 1.927 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(C)nc1C1CC1 ZINC001038982933 783077237 /nfs/dbraw/zinc/07/72/37/783077237.db2.gz COBAPNJCJUBKID-AWEZNQCLSA-N 1 2 298.390 1.490 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(C)nc1C1CC1 ZINC001038982933 783077239 /nfs/dbraw/zinc/07/72/39/783077239.db2.gz COBAPNJCJUBKID-AWEZNQCLSA-N 1 2 298.390 1.490 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000884155354 783091163 /nfs/dbraw/zinc/09/11/63/783091163.db2.gz ZZUOJRLJYBSSAZ-HZSPNIEDSA-N 1 2 294.395 1.518 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C)[C@H]1C ZINC000884116139 783146569 /nfs/dbraw/zinc/14/65/69/783146569.db2.gz MXCMNBROJFFDNQ-UTUOFQBUSA-N 1 2 268.357 1.080 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCC[C@H](C)CC1 ZINC000884313497 783155988 /nfs/dbraw/zinc/15/59/88/783155988.db2.gz GVVKYEWXKDCGPW-AVGNSLFASA-N 1 2 282.384 1.518 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccnn2[C@H](C)CC)C1 ZINC001030383986 783159579 /nfs/dbraw/zinc/15/95/79/783159579.db2.gz SGLWXKSOENCTRX-GFCCVEGCSA-N 1 2 274.368 1.291 20 30 CDEDLO Cc1[nH]c(CNC(=O)CNc2ccc(C#N)cc2)[nH+]c1C ZINC000863947459 783176109 /nfs/dbraw/zinc/17/61/09/783176109.db2.gz OUJIFOAROQSINB-UHFFFAOYSA-N 1 2 283.335 1.627 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)cc1OC ZINC001038931051 783193525 /nfs/dbraw/zinc/19/35/25/783193525.db2.gz GGFUZCQFTWFLSF-CQSZACIVSA-N 1 2 286.375 1.831 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)cc1OC ZINC001038931051 783193533 /nfs/dbraw/zinc/19/35/33/783193533.db2.gz GGFUZCQFTWFLSF-CQSZACIVSA-N 1 2 286.375 1.831 20 30 CDEDLO C=CCNC(=O)[C@@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845277959 783222113 /nfs/dbraw/zinc/22/21/13/783222113.db2.gz QOXKRUYWHNPESN-GHMZBOCLSA-N 1 2 265.313 1.068 20 30 CDEDLO Cc1[nH+]c(C(C)N=Nc2ccc(-n3cccn3)nn2)cn1C ZINC000800809887 783225224 /nfs/dbraw/zinc/22/52/24/783225224.db2.gz BUPDURADCOTEIZ-UHFFFAOYSA-N 1 2 296.338 1.540 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cc1cc(Br)nn1C ZINC000787291690 780223127 /nfs/dbraw/zinc/22/31/27/780223127.db2.gz VTPKKXAPTMRJCN-QMMMGPOBSA-N 1 2 256.147 1.636 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(Br)nn1C ZINC000787291690 780223134 /nfs/dbraw/zinc/22/31/34/780223134.db2.gz VTPKKXAPTMRJCN-QMMMGPOBSA-N 1 2 256.147 1.636 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1oncc1C)CCO2 ZINC001053492388 780239339 /nfs/dbraw/zinc/23/93/39/780239339.db2.gz ORFAHETYLDNNDI-UHFFFAOYSA-N 1 2 291.351 1.086 20 30 CDEDLO C#CCC[C@@H](O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC000798421787 780400299 /nfs/dbraw/zinc/40/02/99/780400299.db2.gz VVUJZEQAJKKLFM-GFCCVEGCSA-N 1 2 259.353 1.850 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2CCO[C@@H](CC)C2)C1 ZINC001031217404 780478079 /nfs/dbraw/zinc/47/80/79/780478079.db2.gz KXDITKHOCWMGLD-HIFRSBDPSA-N 1 2 280.412 1.958 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(C1CC1)C1CC1 ZINC001032803425 780607123 /nfs/dbraw/zinc/60/71/23/780607123.db2.gz YKBNATBVSPSUBT-GJZGRUSLSA-N 1 2 272.392 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(C1CC1)C1CC1 ZINC001032803425 780607133 /nfs/dbraw/zinc/60/71/33/780607133.db2.gz YKBNATBVSPSUBT-GJZGRUSLSA-N 1 2 272.392 1.731 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)C1CC1)CCO2 ZINC001053210074 780834403 /nfs/dbraw/zinc/83/44/03/780834403.db2.gz UMULGDAYGBBMGZ-ZDUSSCGKSA-N 1 2 278.396 1.522 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2Cc3ccccc3CO2)C1 ZINC001031332812 780853717 /nfs/dbraw/zinc/85/37/17/780853717.db2.gz QHJPZCVCYXVUNE-INIZCTEOSA-N 1 2 286.375 1.504 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(C)(C)C1 ZINC001032608242 780992951 /nfs/dbraw/zinc/99/29/51/780992951.db2.gz FTKLUZIMWHVHRR-IHRRRGAJSA-N 1 2 260.381 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(C)(C)C1 ZINC001032608242 780992976 /nfs/dbraw/zinc/99/29/76/780992976.db2.gz FTKLUZIMWHVHRR-IHRRRGAJSA-N 1 2 260.381 1.731 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001051143138 781045968 /nfs/dbraw/zinc/04/59/68/781045968.db2.gz WUOXFPNJDVOSJN-KBPBESRZSA-N 1 2 278.396 1.570 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001051143138 781045981 /nfs/dbraw/zinc/04/59/81/781045981.db2.gz WUOXFPNJDVOSJN-KBPBESRZSA-N 1 2 278.396 1.570 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3cnccc3c2)C1 ZINC001030684185 781092181 /nfs/dbraw/zinc/09/21/81/781092181.db2.gz OZRIHAODLDNYQH-UHFFFAOYSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3(C)CCC3)C[C@H]21 ZINC001074315012 781160501 /nfs/dbraw/zinc/16/05/01/781160501.db2.gz OHWGQPYDZGYRRO-CABCVRRESA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3(C)CCC3)C[C@H]21 ZINC001074315012 781160505 /nfs/dbraw/zinc/16/05/05/781160505.db2.gz OHWGQPYDZGYRRO-CABCVRRESA-N 1 2 290.407 1.502 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cn(CCC)nc2C)C1 ZINC001044088250 781219511 /nfs/dbraw/zinc/21/95/11/781219511.db2.gz POFZSHIWTGECDL-UHFFFAOYSA-N 1 2 290.411 1.934 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)cc1OC ZINC001038935415 781318883 /nfs/dbraw/zinc/31/88/83/781318883.db2.gz HBJJRLVEXZXATF-CYBMUJFWSA-N 1 2 272.348 1.441 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)cc1OC ZINC001038935415 781318889 /nfs/dbraw/zinc/31/88/89/781318889.db2.gz HBJJRLVEXZXATF-CYBMUJFWSA-N 1 2 272.348 1.441 20 30 CDEDLO C=C(C)CONC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000845595991 781330122 /nfs/dbraw/zinc/33/01/22/781330122.db2.gz MMZHQUYMDMUNCH-LBPRGKRZSA-N 1 2 264.329 1.737 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cnn(CC3CCC3)c2)nn1 ZINC000922197172 781352179 /nfs/dbraw/zinc/35/21/79/781352179.db2.gz ABVZDQCPCSUFPV-UHFFFAOYSA-N 1 2 286.383 1.751 20 30 CDEDLO C#CCOc1ccc(C[NH2+][C@@H](C)c2nnnn2C2CC2)cc1 ZINC000191827833 781363705 /nfs/dbraw/zinc/36/37/05/781363705.db2.gz QOHAPILTKRJECT-LBPRGKRZSA-N 1 2 297.362 1.871 20 30 CDEDLO Cc1ccc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c(C#N)n1 ZINC000881924387 781444279 /nfs/dbraw/zinc/44/42/79/781444279.db2.gz VKQSYQIKDTVFSU-CHWSQXEVSA-N 1 2 274.368 1.783 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Oc1cccnc1 ZINC001032619940 781452473 /nfs/dbraw/zinc/45/24/73/781452473.db2.gz MFKJUINYXIBQSO-KKUMJFAQSA-N 1 2 299.374 1.157 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Oc1cccnc1 ZINC001032619940 781452507 /nfs/dbraw/zinc/45/25/07/781452507.db2.gz MFKJUINYXIBQSO-KKUMJFAQSA-N 1 2 299.374 1.157 20 30 CDEDLO COC(=O)[C@@H]([NH2+]CCO[C@@H](C)C#N)C1CCCCC1 ZINC000801941613 781494246 /nfs/dbraw/zinc/49/42/46/781494246.db2.gz RQXZPAHESQGCDQ-AAEUAGOBSA-N 1 2 268.357 1.627 20 30 CDEDLO Cc1cc(C)c(C(=O)NCC2=CCN(CC#N)CC2)c(C)[nH+]1 ZINC001000983527 781593339 /nfs/dbraw/zinc/59/33/39/781593339.db2.gz FGQPBUVAIWSRJH-UHFFFAOYSA-N 1 2 298.390 1.892 20 30 CDEDLO C=C(Br)C[NH+]1CCC2(CC1)OCCO2 ZINC000054317021 781738459 /nfs/dbraw/zinc/73/84/59/781738459.db2.gz YVQMQQHGYKWUNQ-UHFFFAOYSA-N 1 2 262.147 1.734 20 30 CDEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(COC(C)C)no1 ZINC000930602188 781805407 /nfs/dbraw/zinc/80/54/07/781805407.db2.gz ZLGPLSZFRIGQEX-ZDUSSCGKSA-N 1 2 251.330 1.886 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCCCO2)C1 ZINC001010532602 781825634 /nfs/dbraw/zinc/82/56/34/781825634.db2.gz XCYIMMDBUHARER-OLZOCXBDSA-N 1 2 286.803 1.889 20 30 CDEDLO COC(=O)c1cc(C[NH2+]CCC#N)n2c1CCCC2 ZINC000857039507 781825331 /nfs/dbraw/zinc/82/53/31/781825331.db2.gz FPLUGBOXZBFZFW-UHFFFAOYSA-N 1 2 261.325 1.614 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCCCO2)C1 ZINC001010532602 781825636 /nfs/dbraw/zinc/82/56/36/781825636.db2.gz XCYIMMDBUHARER-OLZOCXBDSA-N 1 2 286.803 1.889 20 30 CDEDLO N#CCCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000426409349 781827315 /nfs/dbraw/zinc/82/73/15/781827315.db2.gz DTAUNENNNGBREP-UHFFFAOYSA-N 1 2 287.298 1.724 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC[C@@H](CC)O2)C1 ZINC001030391627 781830128 /nfs/dbraw/zinc/83/01/28/781830128.db2.gz GDUFJROCDGUSOO-OLZOCXBDSA-N 1 2 252.358 1.321 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NC2C[NH+](CC3CC(F)(F)C3)C2)c1 ZINC001030196319 781864864 /nfs/dbraw/zinc/86/48/64/781864864.db2.gz NCXPXZDEHCDTHM-UHFFFAOYSA-N 1 2 294.305 1.346 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC001038431096 781881641 /nfs/dbraw/zinc/88/16/41/781881641.db2.gz OVBIJXVFOUTIKZ-SJORKVTESA-N 1 2 298.386 1.628 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC001038431096 781881646 /nfs/dbraw/zinc/88/16/46/781881646.db2.gz OVBIJXVFOUTIKZ-SJORKVTESA-N 1 2 298.386 1.628 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCc3cccnc32)C1 ZINC001043665606 781895730 /nfs/dbraw/zinc/89/57/30/781895730.db2.gz YRUACMPDGIZDGV-HNNXBMFYSA-N 1 2 285.391 1.830 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc2cc[nH]c2cn1 ZINC000848254883 781900143 /nfs/dbraw/zinc/90/01/43/781900143.db2.gz NDLPKKHDOGTRDZ-ZDUSSCGKSA-N 1 2 268.320 1.599 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc2cc[nH]c2cn1 ZINC000848254883 781900158 /nfs/dbraw/zinc/90/01/58/781900158.db2.gz NDLPKKHDOGTRDZ-ZDUSSCGKSA-N 1 2 268.320 1.599 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2ccc(C)cc21 ZINC000884113474 781902993 /nfs/dbraw/zinc/90/29/93/781902993.db2.gz RUGMNFFOHPMOMX-ZDUSSCGKSA-N 1 2 288.347 1.331 20 30 CDEDLO Cn1nncc1N[NH+]=C1CCCNc2ccccc21 ZINC000814983967 783312361 /nfs/dbraw/zinc/31/23/61/783312361.db2.gz QYZYVJRSZNWWFQ-UHFFFAOYSA-N 1 2 256.313 1.837 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1oc(C)cc1C ZINC001038144840 783366810 /nfs/dbraw/zinc/36/68/10/783366810.db2.gz FARXRSNGVYKTRA-ZDUSSCGKSA-N 1 2 260.337 1.724 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1oc(C)cc1C ZINC001038144840 783366822 /nfs/dbraw/zinc/36/68/22/783366822.db2.gz FARXRSNGVYKTRA-ZDUSSCGKSA-N 1 2 260.337 1.724 20 30 CDEDLO N#Cc1ccc(N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000870093215 783402985 /nfs/dbraw/zinc/40/29/85/783402985.db2.gz CSNNCCFGWKCBEE-UHFFFAOYSA-N 1 2 295.346 1.173 20 30 CDEDLO N#CCC1(C[NH+]2CCN(Cc3cncs3)CC2)CC1 ZINC000931358697 783486014 /nfs/dbraw/zinc/48/60/14/783486014.db2.gz ZAJQTQAIDDHTLJ-UHFFFAOYSA-N 1 2 276.409 1.955 20 30 CDEDLO Nc1ncc(C=[NH+]Nc2ccc3n[nH]cc3c2)cn1 ZINC000781594618 783521507 /nfs/dbraw/zinc/52/15/07/783521507.db2.gz CMRIMARRKFXXBN-UHFFFAOYSA-N 1 2 253.269 1.381 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2noc3ccccc32)C1 ZINC001030633551 912254403 /nfs/dbraw/zinc/25/44/03/912254403.db2.gz XWDQHKMLJFILHR-UHFFFAOYSA-N 1 2 283.331 1.194 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC001232673266 912379341 /nfs/dbraw/zinc/37/93/41/912379341.db2.gz DCAOJDUDBQQRBA-LBPRGKRZSA-N 1 2 282.290 1.713 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC001232673266 912379359 /nfs/dbraw/zinc/37/93/59/912379359.db2.gz DCAOJDUDBQQRBA-LBPRGKRZSA-N 1 2 282.290 1.713 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccon1)C2 ZINC001095249373 912708893 /nfs/dbraw/zinc/70/88/93/912708893.db2.gz WVPBLEJKOSVNDH-AGIUHOORSA-N 1 2 295.770 1.691 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccon1)C2 ZINC001095249373 912708897 /nfs/dbraw/zinc/70/88/97/912708897.db2.gz WVPBLEJKOSVNDH-AGIUHOORSA-N 1 2 295.770 1.691 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2c(F)ccc(F)c2OC)C1 ZINC001030779970 912724410 /nfs/dbraw/zinc/72/44/10/912724410.db2.gz MWORJNIPANNLIO-UHFFFAOYSA-N 1 2 296.317 1.964 20 30 CDEDLO C=CCN(CC[N@@H+]1CC[C@@](C)(C#N)C1)C(=O)OCC ZINC001209024570 894429309 /nfs/dbraw/zinc/42/93/09/894429309.db2.gz ULLYPYCGCBNRDK-AWEZNQCLSA-N 1 2 265.357 1.866 20 30 CDEDLO C=CCN(CC[N@H+]1CC[C@@](C)(C#N)C1)C(=O)OCC ZINC001209024570 894429319 /nfs/dbraw/zinc/42/93/19/894429319.db2.gz ULLYPYCGCBNRDK-AWEZNQCLSA-N 1 2 265.357 1.866 20 30 CDEDLO C[C@H](CCNc1ccc(C#N)nc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001106426525 913914826 /nfs/dbraw/zinc/91/48/26/913914826.db2.gz KEGJKSIYSSXZGC-LLVKDONJSA-N 1 2 298.350 1.226 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H](C)Nc2cc[nH+]c(C)n2)cc1 ZINC001098207621 895340152 /nfs/dbraw/zinc/34/01/52/895340152.db2.gz OUPXUKBXJNCQNL-LBPRGKRZSA-N 1 2 294.358 1.997 20 30 CDEDLO CC[NH+]1CCN(c2cc(C#N)sc2[N+](=O)[O-])CC1 ZINC000891393541 895926855 /nfs/dbraw/zinc/92/68/55/895926855.db2.gz IGSLZRSHYZXQAP-UHFFFAOYSA-N 1 2 266.326 1.670 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2CCO[C@@H](CC)C2)C1 ZINC001031217715 914076615 /nfs/dbraw/zinc/07/66/15/914076615.db2.gz OKOICFDZMFURDN-OCCSQVGLSA-N 1 2 266.385 1.568 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCOC2)C1 ZINC001006881973 897821286 /nfs/dbraw/zinc/82/12/86/897821286.db2.gz OJOQCIBDQLLXTR-STQMWFEESA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCOC2)C1 ZINC001006881973 897821295 /nfs/dbraw/zinc/82/12/95/897821295.db2.gz OJOQCIBDQLLXTR-STQMWFEESA-N 1 2 286.803 1.746 20 30 CDEDLO C#CCOc1ccccc1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000280108147 897855150 /nfs/dbraw/zinc/85/51/50/897855150.db2.gz LCJFGCYADIBHMI-UHFFFAOYSA-N 1 2 283.331 1.671 20 30 CDEDLO C#CCOc1ccccc1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000280108147 897855154 /nfs/dbraw/zinc/85/51/54/897855154.db2.gz LCJFGCYADIBHMI-UHFFFAOYSA-N 1 2 283.331 1.671 20 30 CDEDLO C=CCn1cc(C(=O)NC[C@H]2CCCC[N@H+]2CCF)nn1 ZINC001024699635 898223069 /nfs/dbraw/zinc/22/30/69/898223069.db2.gz QQUVOWZFJPIUMO-GFCCVEGCSA-N 1 2 295.362 1.018 20 30 CDEDLO C=CCn1cc(C(=O)NC[C@H]2CCCC[N@@H+]2CCF)nn1 ZINC001024699635 898223083 /nfs/dbraw/zinc/22/30/83/898223083.db2.gz QQUVOWZFJPIUMO-GFCCVEGCSA-N 1 2 295.362 1.018 20 30 CDEDLO C#CCCCC(=O)N(CC)CCNc1cc[nH+]c(C)n1 ZINC001106737198 914236695 /nfs/dbraw/zinc/23/66/95/914236695.db2.gz XBVRYQRNTYYFDJ-UHFFFAOYSA-N 1 2 274.368 1.849 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000248868421 898462716 /nfs/dbraw/zinc/46/27/16/898462716.db2.gz BHESIEYOEZXLMI-ZFWWWQNUSA-N 1 2 275.348 1.280 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000248868421 898462719 /nfs/dbraw/zinc/46/27/19/898462719.db2.gz BHESIEYOEZXLMI-ZFWWWQNUSA-N 1 2 275.348 1.280 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccnn2)[C@H]1C ZINC000994075272 914421174 /nfs/dbraw/zinc/42/11/74/914421174.db2.gz XNUAPTIGRXPGHR-VXGBXAGGSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccnn2)[C@H]1C ZINC000994075272 914421179 /nfs/dbraw/zinc/42/11/79/914421179.db2.gz XNUAPTIGRXPGHR-VXGBXAGGSA-N 1 2 294.786 1.812 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCC(=C)C)C[C@H]21 ZINC001177023598 914438029 /nfs/dbraw/zinc/43/80/29/914438029.db2.gz AENNHIXNZSDJBY-HZPDHXFCSA-N 1 2 290.407 1.668 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCC(=C)C)C[C@H]21 ZINC001177023598 914438032 /nfs/dbraw/zinc/43/80/32/914438032.db2.gz AENNHIXNZSDJBY-HZPDHXFCSA-N 1 2 290.407 1.668 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]2OCC[N@@H+](CC)[C@H]2C1 ZINC001177108140 914490059 /nfs/dbraw/zinc/49/00/59/914490059.db2.gz YMFAMFBLEWNJFO-KBPBESRZSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]2OCC[N@H+](CC)[C@H]2C1 ZINC001177108140 914490067 /nfs/dbraw/zinc/49/00/67/914490067.db2.gz YMFAMFBLEWNJFO-KBPBESRZSA-N 1 2 280.412 1.910 20 30 CDEDLO C#CCCCC(=O)NCC[NH2+]Cc1nc(C(F)F)no1 ZINC001126335276 901628217 /nfs/dbraw/zinc/62/82/17/901628217.db2.gz WRGSHHNTLDMVTI-UHFFFAOYSA-N 1 2 286.282 1.017 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001031481851 914667704 /nfs/dbraw/zinc/66/77/04/914667704.db2.gz NEGLJJZBCLONDB-UHFFFAOYSA-N 1 2 282.387 1.850 20 30 CDEDLO C=CC[C@@H](C)C(=O)N1CC2(CC[N@@H+]2CCn2ccnc2)C1 ZINC001268968574 903283065 /nfs/dbraw/zinc/28/30/65/903283065.db2.gz SXUOAKQTSQJRQH-CQSZACIVSA-N 1 2 288.395 1.382 20 30 CDEDLO C=CC[C@@H](C)C(=O)N1CC2(CC[N@H+]2CCn2ccnc2)C1 ZINC001268968574 903283071 /nfs/dbraw/zinc/28/30/71/903283071.db2.gz SXUOAKQTSQJRQH-CQSZACIVSA-N 1 2 288.395 1.382 20 30 CDEDLO C=CC[C@@H](C)C(=O)N1CC2(CCN2CCn2cc[nH+]c2)C1 ZINC001268968574 903283078 /nfs/dbraw/zinc/28/30/78/903283078.db2.gz SXUOAKQTSQJRQH-CQSZACIVSA-N 1 2 288.395 1.382 20 30 CDEDLO CNC(=O)Cc1nc(C[NH+]2CCC(CC#N)CC2)cs1 ZINC001363779538 904754824 /nfs/dbraw/zinc/75/48/24/904754824.db2.gz BMBSUNLOJGXNKU-UHFFFAOYSA-N 1 2 292.408 1.557 20 30 CDEDLO CC#CC(=O)N1CCCC2(C[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001270716674 904984130 /nfs/dbraw/zinc/98/41/30/904984130.db2.gz MHNUGTMIJQLROV-UHFFFAOYSA-N 1 2 299.374 1.235 20 30 CDEDLO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C\Cl ZINC001029300513 905362300 /nfs/dbraw/zinc/36/23/00/905362300.db2.gz IZRZGZNRHVGJOJ-RTLUVPRYSA-N 1 2 278.783 1.828 20 30 CDEDLO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C\Cl ZINC001029300513 905362320 /nfs/dbraw/zinc/36/23/20/905362320.db2.gz IZRZGZNRHVGJOJ-RTLUVPRYSA-N 1 2 278.783 1.828 20 30 CDEDLO N#CCCCC(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001271252791 906209500 /nfs/dbraw/zinc/20/95/00/906209500.db2.gz QRYIAQHHUUNDLO-UHFFFAOYSA-N 1 2 272.352 1.353 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnc(C)cn2)[C@H]1C ZINC001088454062 907312827 /nfs/dbraw/zinc/31/28/27/907312827.db2.gz VOPVGLUKWXHAGJ-NEPJUHHUSA-N 1 2 294.786 1.730 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnc(C)cn2)[C@H]1C ZINC001088454062 907312843 /nfs/dbraw/zinc/31/28/43/907312843.db2.gz VOPVGLUKWXHAGJ-NEPJUHHUSA-N 1 2 294.786 1.730 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](N(C)C(C)=O)C2)c1 ZINC001032853162 921427934 /nfs/dbraw/zinc/42/79/34/921427934.db2.gz REPJRARRIYOELM-INIZCTEOSA-N 1 2 299.374 1.159 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](N(C)C(C)=O)C2)c1 ZINC001032853162 921427941 /nfs/dbraw/zinc/42/79/41/921427941.db2.gz REPJRARRIYOELM-INIZCTEOSA-N 1 2 299.374 1.159 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc2O1 ZINC001038481677 909167000 /nfs/dbraw/zinc/16/70/00/909167000.db2.gz VSLRFWIPDQIYMU-ZBFHGGJFSA-N 1 2 284.359 1.204 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc2O1 ZINC001038481677 909167009 /nfs/dbraw/zinc/16/70/09/909167009.db2.gz VSLRFWIPDQIYMU-ZBFHGGJFSA-N 1 2 284.359 1.204 20 30 CDEDLO C#CC[C@H]([NH3+])c1nc(-c2ccc(C(C)=O)cc2)no1 ZINC001247608949 909533709 /nfs/dbraw/zinc/53/37/09/909533709.db2.gz BRBPYBKNIUVZHJ-LBPRGKRZSA-N 1 2 255.277 1.962 20 30 CDEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001093189586 909692199 /nfs/dbraw/zinc/69/21/99/909692199.db2.gz CTWKGNCUBJBEGQ-CHWSQXEVSA-N 1 2 288.395 1.892 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2c(C)noc2C(C)C)[C@@H](O)C1 ZINC001083542700 909798747 /nfs/dbraw/zinc/79/87/47/909798747.db2.gz KYOGKWCVPHLOPD-NEPJUHHUSA-N 1 2 293.367 1.067 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2c(C)noc2C(C)C)[C@@H](O)C1 ZINC001083542700 909798759 /nfs/dbraw/zinc/79/87/59/909798759.db2.gz KYOGKWCVPHLOPD-NEPJUHHUSA-N 1 2 293.367 1.067 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(C)c2C)C1 ZINC001077053819 910170649 /nfs/dbraw/zinc/17/06/49/910170649.db2.gz ABZPGRHTEYDWTN-ZIAGYGMSSA-N 1 2 292.404 1.163 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(C)c2C)C1 ZINC001077053819 910170659 /nfs/dbraw/zinc/17/06/59/910170659.db2.gz ABZPGRHTEYDWTN-ZIAGYGMSSA-N 1 2 292.404 1.163 20 30 CDEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C3CCC3)nn2)C1 ZINC001094268906 910425953 /nfs/dbraw/zinc/42/59/53/910425953.db2.gz JBBPMXBBOVZRNX-UHFFFAOYSA-N 1 2 289.383 1.127 20 30 CDEDLO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(F)cc1C#N ZINC000698194065 911379959 /nfs/dbraw/zinc/37/99/59/911379959.db2.gz KZGFLXHIPFAGEC-KGLIPLIRSA-N 1 2 264.300 1.015 20 30 CDEDLO C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1ccc(F)cc1C#N ZINC000698194065 911379977 /nfs/dbraw/zinc/37/99/77/911379977.db2.gz KZGFLXHIPFAGEC-KGLIPLIRSA-N 1 2 264.300 1.015 20 30 CDEDLO C=C(C)CC[NH+]1CC(NC(=O)c2cnc(C)s2)C1 ZINC001030143087 911528277 /nfs/dbraw/zinc/52/82/77/911528277.db2.gz HKGPBDFXMPWGCF-UHFFFAOYSA-N 1 2 265.382 1.832 20 30 CDEDLO C=CC[C@H]([NH2+][C@@H]1CCc2ncsc2C1)C(=O)OC ZINC001173130023 912186806 /nfs/dbraw/zinc/18/68/06/912186806.db2.gz VDGGBZKFDIXKHB-KOLCDFICSA-N 1 2 266.366 1.708 20 30 CDEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cn1 ZINC001178121783 915227905 /nfs/dbraw/zinc/22/79/05/915227905.db2.gz KTAAMSNMFSQIHN-GFCCVEGCSA-N 1 2 281.319 1.029 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2noc(C)n2)[C@@H]1C ZINC001178324588 915372144 /nfs/dbraw/zinc/37/21/44/915372144.db2.gz TXBLHZMEBLJAFG-GVXVVHGQSA-N 1 2 292.383 1.984 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@H]([NH2+]Cc2cnsn2)[C@@H]1C ZINC001178805561 915632758 /nfs/dbraw/zinc/63/27/58/915632758.db2.gz GRPOACLHLOLEGT-AAEUAGOBSA-N 1 2 294.424 1.973 20 30 CDEDLO C=CCCC(=O)NCC[NH2+]Cc1nc(-c2ccco2)no1 ZINC001124636091 936326394 /nfs/dbraw/zinc/32/63/94/936326394.db2.gz HGJXATQMZJAAFC-UHFFFAOYSA-N 1 2 290.323 1.502 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)NCCCCCCNCC#N ZINC001180178479 916172831 /nfs/dbraw/zinc/17/28/31/916172831.db2.gz GZYPXSPFCUZZOZ-UHFFFAOYSA-N 1 2 291.399 1.142 20 30 CDEDLO Cc1n[nH]c(C(=O)NCC[NH2+]Cc2cccc(C#N)c2)c1C ZINC001125061687 936349331 /nfs/dbraw/zinc/34/93/31/936349331.db2.gz JUAKPTVLUGREEL-UHFFFAOYSA-N 1 2 297.362 1.418 20 30 CDEDLO C=C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C1 ZINC001253585738 935270350 /nfs/dbraw/zinc/27/03/50/935270350.db2.gz ZTXQCEHZAGOVEY-OUAUKWLOSA-N 1 2 274.336 1.080 20 30 CDEDLO C=C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C1 ZINC001253585738 935270352 /nfs/dbraw/zinc/27/03/52/935270352.db2.gz ZTXQCEHZAGOVEY-OUAUKWLOSA-N 1 2 274.336 1.080 20 30 CDEDLO COC(=O)C1CC[NH+](Cc2ccc(OC)cc2C#N)CC1 ZINC001137699703 936391895 /nfs/dbraw/zinc/39/18/95/936391895.db2.gz QXNBFEJRLRKEFG-UHFFFAOYSA-N 1 2 288.347 1.952 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CC3(C#N)CCCCC3)C[C@H]21 ZINC001181346579 917047685 /nfs/dbraw/zinc/04/76/85/917047685.db2.gz VSLWZZFHMLEWEG-KGLIPLIRSA-N 1 2 291.395 1.392 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)CC3(C#N)CCCCC3)C[C@H]21 ZINC001181346579 917047697 /nfs/dbraw/zinc/04/76/97/917047697.db2.gz VSLWZZFHMLEWEG-KGLIPLIRSA-N 1 2 291.395 1.392 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1CCCC1)CO2 ZINC001053715876 936416790 /nfs/dbraw/zinc/41/67/90/936416790.db2.gz HKABLUPDGXASCF-AWEZNQCLSA-N 1 2 276.380 1.159 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccccn1)CO2 ZINC001053722007 936418401 /nfs/dbraw/zinc/41/84/01/936418401.db2.gz IWZYGUJTOJPMKS-CYBMUJFWSA-N 1 2 287.363 1.231 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1coc(C)c1)CO2 ZINC001053788970 936420510 /nfs/dbraw/zinc/42/05/10/936420510.db2.gz ZDUHZMMIYAAKHM-CQSZACIVSA-N 1 2 288.347 1.184 20 30 CDEDLO C=CCCC(=O)NCC[NH2+][C@@H](C)c1nnc(CC)o1 ZINC001124640889 917510187 /nfs/dbraw/zinc/51/01/87/917510187.db2.gz RWRGNMORVHADON-JTQLQIEISA-N 1 2 266.345 1.365 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC000829974893 936440462 /nfs/dbraw/zinc/44/04/62/936440462.db2.gz LGSVVBQSKJFYSL-GFCCVEGCSA-N 1 2 251.717 1.585 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC000829974893 936440463 /nfs/dbraw/zinc/44/04/63/936440463.db2.gz LGSVVBQSKJFYSL-GFCCVEGCSA-N 1 2 251.717 1.585 20 30 CDEDLO C=CCOCC[NH2+][C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001182718137 918066525 /nfs/dbraw/zinc/06/65/25/918066525.db2.gz CAKGPCFDWZUGGT-NXEZZACHSA-N 1 2 298.280 1.280 20 30 CDEDLO C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001182718137 918066540 /nfs/dbraw/zinc/06/65/40/918066540.db2.gz CAKGPCFDWZUGGT-NXEZZACHSA-N 1 2 298.280 1.280 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CCCCC1 ZINC001032267250 918121707 /nfs/dbraw/zinc/12/17/07/918121707.db2.gz HILSYEMLZWPRON-GJZGRUSLSA-N 1 2 260.381 1.875 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CCCCC1 ZINC001032267250 918121713 /nfs/dbraw/zinc/12/17/13/918121713.db2.gz HILSYEMLZWPRON-GJZGRUSLSA-N 1 2 260.381 1.875 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH2+]Cc2nc(CC)no2)C1 ZINC001182946993 918217180 /nfs/dbraw/zinc/21/71/80/918217180.db2.gz KFLNWKUKUWICBG-GFCCVEGCSA-N 1 2 292.383 1.679 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(C)oc2C)C1 ZINC001107731552 918713312 /nfs/dbraw/zinc/71/33/12/918713312.db2.gz PQROZVFMBWONQT-MRXNPFEDSA-N 1 2 292.379 1.903 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(C)oc2C)C1 ZINC001107731552 918713324 /nfs/dbraw/zinc/71/33/24/918713324.db2.gz PQROZVFMBWONQT-MRXNPFEDSA-N 1 2 292.379 1.903 20 30 CDEDLO N#Cc1cc(NC(=O)CCc2ccc(N)[nH+]c2)ccc1O ZINC001183934963 918750391 /nfs/dbraw/zinc/75/03/91/918750391.db2.gz ORYRJPCTKXFIKK-UHFFFAOYSA-N 1 2 282.303 1.812 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)SC)C1 ZINC001107764155 918758981 /nfs/dbraw/zinc/75/89/81/918758981.db2.gz SDLJRFVENKMYSM-YPMHNXCESA-N 1 2 272.414 1.131 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)SC)C1 ZINC001107764155 918758991 /nfs/dbraw/zinc/75/89/91/918758991.db2.gz SDLJRFVENKMYSM-YPMHNXCESA-N 1 2 272.414 1.131 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)/C(C)=C\CC)C1 ZINC001107784613 918777845 /nfs/dbraw/zinc/77/78/45/918777845.db2.gz XKSVPYVBKZFJBU-LPYTZGJOSA-N 1 2 266.385 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)/C(C)=C\CC)C1 ZINC001107784613 918777850 /nfs/dbraw/zinc/77/78/50/918777850.db2.gz XKSVPYVBKZFJBU-LPYTZGJOSA-N 1 2 266.385 1.736 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC(F)(F)F)C1 ZINC001107787886 918782427 /nfs/dbraw/zinc/78/24/27/918782427.db2.gz MANUXGLOZPDAOH-LBPRGKRZSA-N 1 2 292.301 1.169 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CC(F)(F)F)C1 ZINC001107787886 918782440 /nfs/dbraw/zinc/78/24/40/918782440.db2.gz MANUXGLOZPDAOH-LBPRGKRZSA-N 1 2 292.301 1.169 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)/C(C)=C\C)C1 ZINC001107855937 918895700 /nfs/dbraw/zinc/89/57/00/918895700.db2.gz ZZYRQHCYGIVRCR-IIEJUSTOSA-N 1 2 264.369 1.183 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)/C(C)=C\C)C1 ZINC001107855937 918895712 /nfs/dbraw/zinc/89/57/12/918895712.db2.gz ZZYRQHCYGIVRCR-IIEJUSTOSA-N 1 2 264.369 1.183 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(F)(F)C1 ZINC001032436712 919133774 /nfs/dbraw/zinc/13/37/74/919133774.db2.gz OQRKRIMIFLQXIR-AGIUHOORSA-N 1 2 282.334 1.730 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(F)(F)C1 ZINC001032436712 919133778 /nfs/dbraw/zinc/13/37/78/919133778.db2.gz OQRKRIMIFLQXIR-AGIUHOORSA-N 1 2 282.334 1.730 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(F)F)ncn1 ZINC001032476107 919185634 /nfs/dbraw/zinc/18/56/34/919185634.db2.gz ZRMXNNIXTMQFJI-UWVGGRQHSA-N 1 2 294.305 1.499 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(F)F)ncn1 ZINC001032476107 919185646 /nfs/dbraw/zinc/18/56/46/919185646.db2.gz ZRMXNNIXTMQFJI-UWVGGRQHSA-N 1 2 294.305 1.499 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2csc(C)n2)C1=O ZINC001272775086 919241495 /nfs/dbraw/zinc/24/14/95/919241495.db2.gz WCICQNQWIAVNPN-OAHLLOKOSA-N 1 2 289.404 1.652 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2csc(C)n2)C1=O ZINC001272775086 919241506 /nfs/dbraw/zinc/24/15/06/919241506.db2.gz WCICQNQWIAVNPN-OAHLLOKOSA-N 1 2 289.404 1.652 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1COCC[N@H+]1CCC ZINC001051155171 936569311 /nfs/dbraw/zinc/56/93/11/936569311.db2.gz KRGSMKZAVLXMPP-ILXRZTDVSA-N 1 2 296.411 1.195 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CCC ZINC001051155171 936569313 /nfs/dbraw/zinc/56/93/13/936569313.db2.gz KRGSMKZAVLXMPP-ILXRZTDVSA-N 1 2 296.411 1.195 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2ccccc12 ZINC001032513621 919301934 /nfs/dbraw/zinc/30/19/34/919301934.db2.gz SDFHFDALSVQEQQ-KBPBESRZSA-N 1 2 279.343 1.471 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2ccccc12 ZINC001032513621 919301949 /nfs/dbraw/zinc/30/19/49/919301949.db2.gz SDFHFDALSVQEQQ-KBPBESRZSA-N 1 2 279.343 1.471 20 30 CDEDLO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001138855869 936575355 /nfs/dbraw/zinc/57/53/55/936575355.db2.gz SFODJVHDVOEPAR-NSHDSACASA-N 1 2 276.340 1.712 20 30 CDEDLO CCOC(=O)c1n[nH]cc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001138855869 936575357 /nfs/dbraw/zinc/57/53/57/936575357.db2.gz SFODJVHDVOEPAR-NSHDSACASA-N 1 2 276.340 1.712 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnc3[nH]ccc3c2Cl)CC1 ZINC001138935848 936583322 /nfs/dbraw/zinc/58/33/22/936583322.db2.gz JSIXFQVAYYORHZ-UHFFFAOYSA-N 1 2 288.782 1.919 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1occc1CC ZINC001032607504 919489427 /nfs/dbraw/zinc/48/94/27/919489427.db2.gz BNQZSDPXDDHCFU-STQMWFEESA-N 1 2 260.337 1.927 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1occc1CC ZINC001032607504 919489437 /nfs/dbraw/zinc/48/94/37/919489437.db2.gz BNQZSDPXDDHCFU-STQMWFEESA-N 1 2 260.337 1.927 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccncc1Cl ZINC001032629025 919532520 /nfs/dbraw/zinc/53/25/20/919532520.db2.gz RJUVHWAYAOLCDP-STQMWFEESA-N 1 2 289.766 1.196 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccncc1Cl ZINC001032629025 919532549 /nfs/dbraw/zinc/53/25/49/919532549.db2.gz RJUVHWAYAOLCDP-STQMWFEESA-N 1 2 289.766 1.196 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccc2[nH]ccc21 ZINC001032635670 919579749 /nfs/dbraw/zinc/57/97/49/919579749.db2.gz XJLQPOOHMQDHCT-RYUDHWBXSA-N 1 2 280.331 1.095 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccc2[nH]ccc21 ZINC001032635670 919579762 /nfs/dbraw/zinc/57/97/62/919579762.db2.gz XJLQPOOHMQDHCT-RYUDHWBXSA-N 1 2 280.331 1.095 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1csc(C)n1 ZINC001032662440 919694090 /nfs/dbraw/zinc/69/40/90/919694090.db2.gz NHGGKLQNEYZKDN-KBPBESRZSA-N 1 2 289.404 1.302 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1csc(C)n1 ZINC001032662440 919694094 /nfs/dbraw/zinc/69/40/94/919694094.db2.gz NHGGKLQNEYZKDN-KBPBESRZSA-N 1 2 289.404 1.302 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC12CCCC2 ZINC001032718366 919777064 /nfs/dbraw/zinc/77/70/64/919777064.db2.gz RXOALAADFHHQMD-KKUMJFAQSA-N 1 2 272.392 1.875 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC12CCCC2 ZINC001032718366 919777073 /nfs/dbraw/zinc/77/70/73/919777073.db2.gz RXOALAADFHHQMD-KKUMJFAQSA-N 1 2 272.392 1.875 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1ccsc1 ZINC001032731430 919860217 /nfs/dbraw/zinc/86/02/17/919860217.db2.gz FLIKKIAXSBSRPJ-STQMWFEESA-N 1 2 290.388 1.435 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1ccsc1 ZINC001032731430 919860220 /nfs/dbraw/zinc/86/02/20/919860220.db2.gz FLIKKIAXSBSRPJ-STQMWFEESA-N 1 2 290.388 1.435 20 30 CDEDLO N#C[C@H]1CC[N@H+](Cc2ccccc2-n2cncn2)C1 ZINC001139421107 936618869 /nfs/dbraw/zinc/61/88/69/936618869.db2.gz SZKBFWRNDHLTSQ-GFCCVEGCSA-N 1 2 253.309 1.613 20 30 CDEDLO N#C[C@H]1CC[N@@H+](Cc2ccccc2-n2cncn2)C1 ZINC001139421107 936618871 /nfs/dbraw/zinc/61/88/71/936618871.db2.gz SZKBFWRNDHLTSQ-GFCCVEGCSA-N 1 2 253.309 1.613 20 30 CDEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1nc(C)c[nH]1)CC2 ZINC001272908371 920020769 /nfs/dbraw/zinc/02/07/69/920020769.db2.gz SZGUEIUJZMLAOB-CYBMUJFWSA-N 1 2 286.379 1.070 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](Cc2cn3ccncc3n2)C1 ZINC001139696423 936636673 /nfs/dbraw/zinc/63/66/73/936636673.db2.gz LFPWGBBHUUZZDC-LBPRGKRZSA-N 1 2 255.325 1.855 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cn3ccncc3n2)C1 ZINC001139696423 936636675 /nfs/dbraw/zinc/63/66/75/936636675.db2.gz LFPWGBBHUUZZDC-LBPRGKRZSA-N 1 2 255.325 1.855 20 30 CDEDLO Cn1c2ccccc2c(C[N@@H+]2CC[C@@H](C#N)C2)cc1=O ZINC001139759973 936644666 /nfs/dbraw/zinc/64/46/66/936644666.db2.gz ZGGBLIYJMIWPBJ-LBPRGKRZSA-N 1 2 267.332 1.884 20 30 CDEDLO Cn1c2ccccc2c(C[N@H+]2CC[C@@H](C#N)C2)cc1=O ZINC001139759973 936644667 /nfs/dbraw/zinc/64/46/67/936644667.db2.gz ZGGBLIYJMIWPBJ-LBPRGKRZSA-N 1 2 267.332 1.884 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C(C)(C)C)nc1 ZINC001032818063 920539122 /nfs/dbraw/zinc/53/91/22/920539122.db2.gz YNQHTVWRGBDLLT-KBPBESRZSA-N 1 2 298.390 1.306 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C(C)(C)C)nc1 ZINC001032818063 920539134 /nfs/dbraw/zinc/53/91/34/920539134.db2.gz YNQHTVWRGBDLLT-KBPBESRZSA-N 1 2 298.390 1.306 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H]2CCN(C(C)=O)C2)c1 ZINC001188555514 921062806 /nfs/dbraw/zinc/06/28/06/921062806.db2.gz PQVOTRGHOXNFAV-INIZCTEOSA-N 1 2 299.374 1.159 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H]2CCN(C(C)=O)C2)c1 ZINC001188555514 921062815 /nfs/dbraw/zinc/06/28/15/921062815.db2.gz PQVOTRGHOXNFAV-INIZCTEOSA-N 1 2 299.374 1.159 20 30 CDEDLO N#C[C@@H]1C[C@H](F)CN1C(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190098415 921821873 /nfs/dbraw/zinc/82/18/73/921821873.db2.gz WALWORCNMYZJAP-RYUDHWBXSA-N 1 2 284.294 1.948 20 30 CDEDLO CN(C)C(=S)N[NH+]=C1CCCc2cc(N)ccc21 ZINC000834957487 936711060 /nfs/dbraw/zinc/71/10/60/936711060.db2.gz XHDBHAQRFRWZOK-UHFFFAOYSA-N 1 2 262.382 1.745 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(OC)nc2OC)CC1 ZINC001190241992 921931137 /nfs/dbraw/zinc/93/11/37/921931137.db2.gz PGPHOVAXGXWGBL-UHFFFAOYSA-N 1 2 291.351 1.043 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1C1CCC(C(F)(F)F)CC1 ZINC001255516838 936717282 /nfs/dbraw/zinc/71/72/82/936717282.db2.gz QDQGHNXPZKAONU-VQXHTEKXSA-N 1 2 261.291 1.905 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001108090550 922007662 /nfs/dbraw/zinc/00/76/62/922007662.db2.gz WTIUPGSOHDJJIC-ZOBUZTSGSA-N 1 2 292.423 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001108090550 922007676 /nfs/dbraw/zinc/00/76/76/922007676.db2.gz WTIUPGSOHDJJIC-ZOBUZTSGSA-N 1 2 292.423 1.816 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C=C3CCC3)C[C@@H]21 ZINC001074208040 936735130 /nfs/dbraw/zinc/73/51/30/936735130.db2.gz AUBVJMXDPWNYLT-HOTGVXAUSA-N 1 2 290.407 1.975 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C=C3CCC3)C[C@@H]21 ZINC001074208040 936735131 /nfs/dbraw/zinc/73/51/31/936735131.db2.gz AUBVJMXDPWNYLT-HOTGVXAUSA-N 1 2 290.407 1.975 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](CCOC)[C@H]2C1 ZINC001074311820 936735999 /nfs/dbraw/zinc/73/59/99/936735999.db2.gz CSKCVKVZLNDYFR-UONOGXRCSA-N 1 2 296.411 1.147 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](CCOC)[C@H]2C1 ZINC001074311820 936736001 /nfs/dbraw/zinc/73/60/01/936736001.db2.gz CSKCVKVZLNDYFR-UONOGXRCSA-N 1 2 296.411 1.147 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)C)C[C@@H]21 ZINC001074387244 936736622 /nfs/dbraw/zinc/73/66/22/936736622.db2.gz HWHARYKRIPXSBI-UONOGXRCSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)C)C[C@@H]21 ZINC001074387244 936736624 /nfs/dbraw/zinc/73/66/24/936736624.db2.gz HWHARYKRIPXSBI-UONOGXRCSA-N 1 2 280.412 1.910 20 30 CDEDLO CC(C)=CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001190842794 922241938 /nfs/dbraw/zinc/24/19/38/922241938.db2.gz YCTIGIGAKCAVIB-IAGOWNOFSA-N 1 2 298.386 1.166 20 30 CDEDLO CC(C)=CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001190842794 922241951 /nfs/dbraw/zinc/24/19/51/922241951.db2.gz YCTIGIGAKCAVIB-IAGOWNOFSA-N 1 2 298.386 1.166 20 30 CDEDLO C#Cc1ccccc1C(=O)N1CCc2[nH+]ccn2CC1 ZINC001191120231 922411235 /nfs/dbraw/zinc/41/12/35/922411235.db2.gz PPOWLTCQYIWHTE-UHFFFAOYSA-N 1 2 265.316 1.563 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CCC)OC)C1 ZINC001108115013 922483966 /nfs/dbraw/zinc/48/39/66/922483966.db2.gz KMYFOLBVMAICQA-ZBFHGGJFSA-N 1 2 296.411 1.032 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CCC)OC)C1 ZINC001108115013 922483974 /nfs/dbraw/zinc/48/39/74/922483974.db2.gz KMYFOLBVMAICQA-ZBFHGGJFSA-N 1 2 296.411 1.032 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CCC)OC)C1 ZINC001108114639 922484674 /nfs/dbraw/zinc/48/46/74/922484674.db2.gz GYPMBEWQIGKCLY-ZFWWWQNUSA-N 1 2 284.400 1.195 20 30 CDEDLO 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/nfs/dbraw/zinc/45/13/48/926451348.db2.gz UCEUBYJNTAOTCU-ZDUSSCGKSA-N 1 2 274.368 1.244 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn(C(C)C)n1 ZINC001085852313 926451352 /nfs/dbraw/zinc/45/13/52/926451352.db2.gz UCEUBYJNTAOTCU-ZDUSSCGKSA-N 1 2 274.368 1.244 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1coc(CCC)n1 ZINC001085923794 926510903 /nfs/dbraw/zinc/51/09/03/926510903.db2.gz HITYQIPCCDKZAW-ZDUSSCGKSA-N 1 2 289.379 1.797 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1coc(CCC)n1 ZINC001085923794 926510911 /nfs/dbraw/zinc/51/09/11/926510911.db2.gz HITYQIPCCDKZAW-ZDUSSCGKSA-N 1 2 289.379 1.797 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2nccnc2c1 ZINC001085962486 926547447 /nfs/dbraw/zinc/54/74/47/926547447.db2.gz IAAXYLNKQUDWDG-AWEZNQCLSA-N 1 2 294.358 1.409 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2nccnc2c1 ZINC001085962486 926547458 /nfs/dbraw/zinc/54/74/58/926547458.db2.gz IAAXYLNKQUDWDG-AWEZNQCLSA-N 1 2 294.358 1.409 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cncnc1CC ZINC001085977257 926560406 /nfs/dbraw/zinc/56/04/06/926560406.db2.gz QSMOCTITDKFXJA-ZDUSSCGKSA-N 1 2 286.379 1.209 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cncnc1CC ZINC001085977257 926560415 /nfs/dbraw/zinc/56/04/15/926560415.db2.gz QSMOCTITDKFXJA-ZDUSSCGKSA-N 1 2 286.379 1.209 20 30 CDEDLO CCOC(=O)CN(CCC#N)Cc1ccc2[nH+]ccn2c1 ZINC001143034021 937111016 /nfs/dbraw/zinc/11/10/16/937111016.db2.gz RYDCABAQYKPYCO-UHFFFAOYSA-N 1 2 286.335 1.613 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)CC(C)C)C1 ZINC001108309698 927371778 /nfs/dbraw/zinc/37/17/78/927371778.db2.gz XTVOZTUHKMNKRQ-RDJZCZTQSA-N 1 2 294.439 1.899 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)CC(C)C)C1 ZINC001108309698 927371788 /nfs/dbraw/zinc/37/17/88/927371788.db2.gz XTVOZTUHKMNKRQ-RDJZCZTQSA-N 1 2 294.439 1.899 20 30 CDEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCn3cncc3C2)cc1 ZINC000852061649 927699962 /nfs/dbraw/zinc/69/99/62/927699962.db2.gz XDENHAQLIOSVGG-HNNXBMFYSA-N 1 2 268.320 1.304 20 30 CDEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCn3cncc3C2)cc1 ZINC000852061649 927699969 /nfs/dbraw/zinc/69/99/69/927699969.db2.gz XDENHAQLIOSVGG-HNNXBMFYSA-N 1 2 268.320 1.304 20 30 CDEDLO C#CCOCC[N@@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000852075996 927702687 /nfs/dbraw/zinc/70/26/87/927702687.db2.gz GPTYLECENIERMP-JTQLQIEISA-N 1 2 265.275 1.678 20 30 CDEDLO C#CCOCC[N@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000852075996 927702700 /nfs/dbraw/zinc/70/27/00/927702700.db2.gz GPTYLECENIERMP-JTQLQIEISA-N 1 2 265.275 1.678 20 30 CDEDLO C#CCOCC[N@@H+](CC(=O)OC(C)(C)C)C1CCC1 ZINC000852218142 927743629 /nfs/dbraw/zinc/74/36/29/927743629.db2.gz FRQRIQIXQBMZPT-UHFFFAOYSA-N 1 2 267.369 1.832 20 30 CDEDLO C#CCOCC[N@H+](CC(=O)OC(C)(C)C)C1CCC1 ZINC000852218142 927743631 /nfs/dbraw/zinc/74/36/31/927743631.db2.gz FRQRIQIXQBMZPT-UHFFFAOYSA-N 1 2 267.369 1.832 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cn[nH]c1 ZINC001568474574 1169305927 /nfs/dbraw/zinc/30/59/27/1169305927.db2.gz NFVSGVHARJYADR-UHFFFAOYSA-N 1 2 256.737 1.166 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cn[nH]c1 ZINC001568474574 1169305935 /nfs/dbraw/zinc/30/59/35/1169305935.db2.gz NFVSGVHARJYADR-UHFFFAOYSA-N 1 2 256.737 1.166 20 30 CDEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C(C)(C)C ZINC000852341921 927773616 /nfs/dbraw/zinc/77/36/16/927773616.db2.gz ZWEAXWXIPRXBRI-KGLIPLIRSA-N 1 2 293.411 1.150 20 30 CDEDLO C=C[C@](C)(O)CNc1cc[nH+]c(OCCOC)c1 ZINC001252548512 929099399 /nfs/dbraw/zinc/09/93/99/929099399.db2.gz SKOKNHLFOJSHHX-ZDUSSCGKSA-N 1 2 252.314 1.456 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000860012628 929103046 /nfs/dbraw/zinc/10/30/46/929103046.db2.gz HBASNHUYTNSVEN-UHFFFAOYSA-N 1 2 253.349 1.919 20 30 CDEDLO C=CCCC[NH+]1CCN(C(=O)c2snnc2C)CC1 ZINC001112606303 929246486 /nfs/dbraw/zinc/24/64/86/929246486.db2.gz QNJCXXZJJWTIJC-UHFFFAOYSA-N 1 2 280.397 1.571 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(C)sn2)CC1 ZINC001112798059 929434980 /nfs/dbraw/zinc/43/49/80/929434980.db2.gz MMOSEGVHVZATDP-UHFFFAOYSA-N 1 2 295.408 1.412 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](OCC)C(C)C)CC1 ZINC001112839644 929486151 /nfs/dbraw/zinc/48/61/51/929486151.db2.gz QCJISVFAQPVKEW-HNNXBMFYSA-N 1 2 298.427 1.394 20 30 CDEDLO C#CC[C@H](CCOC)NC(=O)c1cccc2[nH+]ccn21 ZINC000863785497 929608934 /nfs/dbraw/zinc/60/89/34/929608934.db2.gz HDUQAQSECMLEBF-GFCCVEGCSA-N 1 2 271.320 1.493 20 30 CDEDLO CN(C)c1ncc(C=[NH+]Nc2cccc(C#N)c2)cn1 ZINC000814786640 929846588 /nfs/dbraw/zinc/84/65/88/929846588.db2.gz OBDHVWZDKWWJFI-UHFFFAOYSA-N 1 2 266.308 1.860 20 30 CDEDLO CN(C)c1ncc(C=[NH+]Nc2ccc3n[nH]cc3c2)cn1 ZINC000814900461 929882931 /nfs/dbraw/zinc/88/29/31/929882931.db2.gz UOBKTFJSUIKWEZ-UHFFFAOYSA-N 1 2 281.323 1.865 20 30 CDEDLO CC(=[NH+]N[C@H]1CCOC1)c1cc(F)c(N)c(F)c1 ZINC000814917824 929894133 /nfs/dbraw/zinc/89/41/33/929894133.db2.gz SMQTTYJGXVPTOI-VIFPVBQESA-N 1 2 255.268 1.650 20 30 CDEDLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(F)cc1C#N ZINC000882766033 930072918 /nfs/dbraw/zinc/07/29/18/930072918.db2.gz SIYQKEWTSFBBNG-LBPRGKRZSA-N 1 2 297.355 1.070 20 30 CDEDLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(F)cc1C#N ZINC000882766033 930072928 /nfs/dbraw/zinc/07/29/28/930072928.db2.gz SIYQKEWTSFBBNG-LBPRGKRZSA-N 1 2 297.355 1.070 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)OCc1c[nH+]cn1C ZINC000815968186 930138303 /nfs/dbraw/zinc/13/83/03/930138303.db2.gz YTSPZZROLRAOEM-UHFFFAOYSA-N 1 2 256.265 1.352 20 30 CDEDLO Cc1ccc(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)cc1C#N ZINC000799596487 937392834 /nfs/dbraw/zinc/39/28/34/937392834.db2.gz FAUFUPPXTGNHSB-CYBMUJFWSA-N 1 2 287.363 1.317 20 30 CDEDLO Cc1ccc(C(=O)NCC[N@H+]2CCO[C@H](C)C2)cc1C#N ZINC000799596487 937392837 /nfs/dbraw/zinc/39/28/37/937392837.db2.gz FAUFUPPXTGNHSB-CYBMUJFWSA-N 1 2 287.363 1.317 20 30 CDEDLO Cc1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1C#N ZINC000799723309 937395073 /nfs/dbraw/zinc/39/50/73/937395073.db2.gz DMUANBCPRFDBNR-AWEZNQCLSA-N 1 2 280.331 1.808 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CCC(C)C)C1CC1 ZINC000884087587 930437170 /nfs/dbraw/zinc/43/71/70/930437170.db2.gz IUSOBUATNLNKDO-ZDUSSCGKSA-N 1 2 282.384 1.470 20 30 CDEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000826381045 930440909 /nfs/dbraw/zinc/44/09/09/930440909.db2.gz VTRUXQBESRVFOD-ZWNOBZJWSA-N 1 2 286.314 1.788 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(CC)CC1 ZINC000884097319 930441588 /nfs/dbraw/zinc/44/15/88/930441588.db2.gz BGRAEVCAKMOHFC-LBPRGKRZSA-N 1 2 268.357 1.082 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000884332962 930526281 /nfs/dbraw/zinc/52/62/81/930526281.db2.gz ZXMZXFJVXKVZDY-WWGRRREGSA-N 1 2 294.395 1.472 20 30 CDEDLO C=CC[C@@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)C(=O)OC ZINC000884566794 930597514 /nfs/dbraw/zinc/59/75/14/930597514.db2.gz TYLTVXNFSODLDJ-GHMZBOCLSA-N 1 2 266.297 1.495 20 30 CDEDLO C#CC[N@H+](CC1CC1)Cn1c2ccccc2oc1=O ZINC001116369372 937444152 /nfs/dbraw/zinc/44/41/52/937444152.db2.gz WFFKUQNDNTWAMW-UHFFFAOYSA-N 1 2 256.305 1.897 20 30 CDEDLO C#CC[N@@H+](CC1CC1)Cn1c2ccccc2oc1=O ZINC001116369372 937444154 /nfs/dbraw/zinc/44/41/54/937444154.db2.gz WFFKUQNDNTWAMW-UHFFFAOYSA-N 1 2 256.305 1.897 20 30 CDEDLO C#CCN(C(=O)c1cc(C(C)C)[nH]n1)C1CC[NH+](C)CC1 ZINC000886583630 930912117 /nfs/dbraw/zinc/91/21/17/930912117.db2.gz YDZGNCRIIGSKNH-UHFFFAOYSA-N 1 2 288.395 1.703 20 30 CDEDLO C=C[C@@H](COC)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001116645035 937463276 /nfs/dbraw/zinc/46/32/76/937463276.db2.gz ZATQHWVCEFGLBZ-RYUDHWBXSA-N 1 2 278.356 1.500 20 30 CDEDLO Cn1nccc1[C@]1(O)C[C@H]2CC[C@@H](C1)[N@H+]2CCC#N ZINC000887049521 931008600 /nfs/dbraw/zinc/00/86/00/931008600.db2.gz BOGTYGAPKZJRNO-IMRBUKKESA-N 1 2 260.341 1.148 20 30 CDEDLO Cn1nccc1[C@]1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2CCC#N ZINC000887049521 931008608 /nfs/dbraw/zinc/00/86/08/931008608.db2.gz BOGTYGAPKZJRNO-IMRBUKKESA-N 1 2 260.341 1.148 20 30 CDEDLO CCCCN1C(=O)COCC12C[NH+](CCCC#N)C2 ZINC001274037961 931137554 /nfs/dbraw/zinc/13/75/54/931137554.db2.gz BSJZEFZYEFIMBP-UHFFFAOYSA-N 1 2 265.357 1.003 20 30 CDEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CC(=O)OC(C)C ZINC001274061754 931153105 /nfs/dbraw/zinc/15/31/05/931153105.db2.gz LUVSZOKGXVGGDC-INIZCTEOSA-N 1 2 292.379 1.028 20 30 CDEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC(=O)OC(C)C ZINC001274061754 931153110 /nfs/dbraw/zinc/15/31/10/931153110.db2.gz LUVSZOKGXVGGDC-INIZCTEOSA-N 1 2 292.379 1.028 20 30 CDEDLO Cc1nc(N2CCC(NC(=O)[C@@H](C)C#N)CC2)cc[nH+]1 ZINC001095398804 931443040 /nfs/dbraw/zinc/44/30/40/931443040.db2.gz DFFQWRKRPKBFQE-JTQLQIEISA-N 1 2 273.340 1.030 20 30 CDEDLO Cc1noc(C[N@H+](C)C[C@H](O)c2ccc(C#N)cc2)n1 ZINC000844360020 931589010 /nfs/dbraw/zinc/58/90/10/931589010.db2.gz DPVOQWCDRXSQEB-ZDUSSCGKSA-N 1 2 272.308 1.415 20 30 CDEDLO Cc1noc(C[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)n1 ZINC000844360020 931589016 /nfs/dbraw/zinc/58/90/16/931589016.db2.gz DPVOQWCDRXSQEB-ZDUSSCGKSA-N 1 2 272.308 1.415 20 30 CDEDLO C[C@@H](CC(=O)NCc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC000844492819 931627940 /nfs/dbraw/zinc/62/79/40/931627940.db2.gz OVPIDINVHFVRMJ-NSHDSACASA-N 1 2 269.308 1.417 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC3CC2(C(=O)N2CCCC2)C3)nc1 ZINC001144158584 931674526 /nfs/dbraw/zinc/67/45/26/931674526.db2.gz LUGRDRYAEMWEED-UHFFFAOYSA-N 1 2 296.374 1.540 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC3CC2(C(=O)N2CCCC2)C3)nc1 ZINC001144158584 931674528 /nfs/dbraw/zinc/67/45/28/931674528.db2.gz LUGRDRYAEMWEED-UHFFFAOYSA-N 1 2 296.374 1.540 20 30 CDEDLO C=C(Cc1ccccc1)C(=O)NCc1c[nH+]cn1CCOC ZINC001144407865 931797217 /nfs/dbraw/zinc/79/72/17/931797217.db2.gz MIAAOMZLEOWKDE-UHFFFAOYSA-N 1 2 299.374 1.945 20 30 CDEDLO C=C[C@H](C)ONC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000845630609 931863473 /nfs/dbraw/zinc/86/34/73/931863473.db2.gz SMUJHWLNMUBNAM-AGIUHOORSA-N 1 2 278.356 1.982 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CNc2ccc(O)cc2)CC1 ZINC001144569904 931907351 /nfs/dbraw/zinc/90/73/51/931907351.db2.gz GAKKOVKKIJCZPO-UHFFFAOYSA-N 1 2 275.352 1.134 20 30 CDEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCNC(=O)[C@@H]1C ZINC001171221297 932012385 /nfs/dbraw/zinc/01/23/85/932012385.db2.gz KESBYOKGMUNAHW-NEPJUHHUSA-N 1 2 257.337 1.310 20 30 CDEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCNC(=O)[C@@H]1C ZINC001171221297 932012392 /nfs/dbraw/zinc/01/23/92/932012392.db2.gz KESBYOKGMUNAHW-NEPJUHHUSA-N 1 2 257.337 1.310 20 30 CDEDLO CCN1CC[N@@H+]([C@@H](C)Cc2cccc(C#N)c2)CC1=O ZINC001171224553 932035052 /nfs/dbraw/zinc/03/50/52/932035052.db2.gz SYVCYQQIHSBTSQ-ZDUSSCGKSA-N 1 2 271.364 1.653 20 30 CDEDLO CCN1CC[N@H+]([C@@H](C)Cc2cccc(C#N)c2)CC1=O ZINC001171224553 932035060 /nfs/dbraw/zinc/03/50/60/932035060.db2.gz SYVCYQQIHSBTSQ-ZDUSSCGKSA-N 1 2 271.364 1.653 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3c(F)ccc(C#N)c3F)C[C@@H]21 ZINC001275811145 932055785 /nfs/dbraw/zinc/05/57/85/932055785.db2.gz MQKAGWISXFOPKO-KBPBESRZSA-N 1 2 293.317 1.351 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3c(F)ccc(C#N)c3F)C[C@@H]21 ZINC001275811145 932055792 /nfs/dbraw/zinc/05/57/92/932055792.db2.gz MQKAGWISXFOPKO-KBPBESRZSA-N 1 2 293.317 1.351 20 30 CDEDLO C=CCOCC(=O)NC[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091434322 932169145 /nfs/dbraw/zinc/16/91/45/932169145.db2.gz KWGXEZNKVVXPEK-JOCQHMNTSA-N 1 2 290.367 1.294 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C=C(C)C)C1 ZINC001149115895 932207007 /nfs/dbraw/zinc/20/70/07/932207007.db2.gz CVVSFWRBUSLJPE-CYBMUJFWSA-N 1 2 286.803 1.912 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C=C(C)C)C1 ZINC001149115895 932207010 /nfs/dbraw/zinc/20/70/10/932207010.db2.gz CVVSFWRBUSLJPE-CYBMUJFWSA-N 1 2 286.803 1.912 20 30 CDEDLO C=CCCC(=O)N1CC2(C1)CC[N@H+](Cc1ccon1)C2 ZINC001147165920 932431842 /nfs/dbraw/zinc/43/18/42/932431842.db2.gz NDPGKJYYQSLVKW-UHFFFAOYSA-N 1 2 275.352 1.675 20 30 CDEDLO C=CCCC(=O)N1CC2(C1)CC[N@@H+](Cc1ccon1)C2 ZINC001147165920 932431843 /nfs/dbraw/zinc/43/18/43/932431843.db2.gz NDPGKJYYQSLVKW-UHFFFAOYSA-N 1 2 275.352 1.675 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)(C#N)CC1 ZINC001118314019 937615498 /nfs/dbraw/zinc/61/54/98/937615498.db2.gz KNUCJDXCAUPFKU-LLVKDONJSA-N 1 2 260.341 1.741 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C)(C#N)CC1 ZINC001118314019 937615500 /nfs/dbraw/zinc/61/55/00/937615500.db2.gz KNUCJDXCAUPFKU-LLVKDONJSA-N 1 2 260.341 1.741 20 30 CDEDLO C[C@@]1(c2ccccc2)C[N@H+](C[C@H](O)CC#N)CCO1 ZINC000929832436 933275976 /nfs/dbraw/zinc/27/59/76/933275976.db2.gz IKQYCRLHILBPDG-CABCVRRESA-N 1 2 260.337 1.509 20 30 CDEDLO C[C@@]1(c2ccccc2)C[N@@H+](C[C@H](O)CC#N)CCO1 ZINC000929832436 933275991 /nfs/dbraw/zinc/27/59/91/933275991.db2.gz IKQYCRLHILBPDG-CABCVRRESA-N 1 2 260.337 1.509 20 30 CDEDLO CCn1ccnc1[C@H]1CCCC[N@@H+]1C[C@H](O)CC#N ZINC000930309216 933356077 /nfs/dbraw/zinc/35/60/77/933356077.db2.gz WCVIVZDDJBBBEF-CHWSQXEVSA-N 1 2 262.357 1.705 20 30 CDEDLO CCn1ccnc1[C@H]1CCCC[N@H+]1C[C@H](O)CC#N ZINC000930309216 933356089 /nfs/dbraw/zinc/35/60/89/933356089.db2.gz WCVIVZDDJBBBEF-CHWSQXEVSA-N 1 2 262.357 1.705 20 30 CDEDLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000930833727 933458999 /nfs/dbraw/zinc/45/89/99/933458999.db2.gz IKSIHJRZQJIJPK-OXIQGZBJSA-N 1 2 287.363 1.189 20 30 CDEDLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000930833727 933459002 /nfs/dbraw/zinc/45/90/02/933459002.db2.gz IKSIHJRZQJIJPK-OXIQGZBJSA-N 1 2 287.363 1.189 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](CCCNC(=O)C(F)(F)F)C1 ZINC000932154348 933675786 /nfs/dbraw/zinc/67/57/86/933675786.db2.gz VMWUZGQKZPMSCW-SECBINFHSA-N 1 2 263.263 1.291 20 30 CDEDLO N#C[C@H]1CCC[N@H+](CCCNC(=O)C(F)(F)F)C1 ZINC000932154348 933675790 /nfs/dbraw/zinc/67/57/90/933675790.db2.gz VMWUZGQKZPMSCW-SECBINFHSA-N 1 2 263.263 1.291 20 30 CDEDLO C#CCCCC(=O)N1C[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2C1 ZINC001111295055 934518124 /nfs/dbraw/zinc/51/81/24/934518124.db2.gz ZDMUEVAJNHPDIP-GASCZTMLSA-N 1 2 298.390 1.483 20 30 CDEDLO CCCCCCNC(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000092915427 934901891 /nfs/dbraw/zinc/90/18/91/934901891.db2.gz FXCKRGKMCOEABM-UHFFFAOYSA-N 1 2 292.383 1.609 20 30 CDEDLO C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001114727216 934940951 /nfs/dbraw/zinc/94/09/51/934940951.db2.gz UGAHUDPQSBOOHA-UYHMYPTGSA-N 1 2 289.379 1.823 20 30 CDEDLO C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001114727216 934940953 /nfs/dbraw/zinc/94/09/53/934940953.db2.gz UGAHUDPQSBOOHA-UYHMYPTGSA-N 1 2 289.379 1.823 20 30 CDEDLO Cc1nc(NCCC[C@@H](C)NC(=O)[C@H](C)C#N)cc[nH+]1 ZINC001114873296 935241369 /nfs/dbraw/zinc/24/13/69/935241369.db2.gz ZVJOQUIBGHKWSD-GHMZBOCLSA-N 1 2 275.356 1.642 20 30 CDEDLO Cc1nnc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C#CC3CC3)C2)o1 ZINC000968614600 935349751 /nfs/dbraw/zinc/34/97/51/935349751.db2.gz YJLNXYFXYYOHBV-GXFFZTMASA-N 1 2 288.351 1.043 20 30 CDEDLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CCCN(CC#N)C2)c[nH+]1 ZINC001007617725 935386614 /nfs/dbraw/zinc/38/66/14/935386614.db2.gz IIKAAHVLUZLMRN-CYBMUJFWSA-N 1 2 289.383 1.031 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cn(C)nc2C)C1 ZINC001014753178 935548894 /nfs/dbraw/zinc/54/88/94/935548894.db2.gz OMMUIFHYFLNYOG-CYBMUJFWSA-N 1 2 296.802 1.214 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cn(C)nc2C)C1 ZINC001014753178 935548896 /nfs/dbraw/zinc/54/88/96/935548896.db2.gz OMMUIFHYFLNYOG-CYBMUJFWSA-N 1 2 296.802 1.214 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(F)cn2)C1 ZINC001014979528 935555611 /nfs/dbraw/zinc/55/56/11/935555611.db2.gz PTHHKLLOOJJRPZ-ZDUSSCGKSA-N 1 2 297.761 1.706 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(F)cn2)C1 ZINC001014979528 935555615 /nfs/dbraw/zinc/55/56/15/935555615.db2.gz PTHHKLLOOJJRPZ-ZDUSSCGKSA-N 1 2 297.761 1.706 20 30 CDEDLO C#CCC[N@H+]1CC[C@@H](NC(=O)c2n[nH]c3ccccc32)C1 ZINC001016159670 935604640 /nfs/dbraw/zinc/60/46/40/935604640.db2.gz LYPRBVRQCQICHC-GFCCVEGCSA-N 1 2 282.347 1.390 20 30 CDEDLO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2n[nH]c3ccccc32)C1 ZINC001016159670 935604641 /nfs/dbraw/zinc/60/46/41/935604641.db2.gz LYPRBVRQCQICHC-GFCCVEGCSA-N 1 2 282.347 1.390 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCOC2)C1 ZINC001016275146 935609226 /nfs/dbraw/zinc/60/92/26/935609226.db2.gz FDJSDKVBPQQRQD-STQMWFEESA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCOC2)C1 ZINC001016275146 935609228 /nfs/dbraw/zinc/60/92/28/935609228.db2.gz FDJSDKVBPQQRQD-STQMWFEESA-N 1 2 286.803 1.746 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnnc(C)c1 ZINC001017506981 935641273 /nfs/dbraw/zinc/64/12/73/935641273.db2.gz PYGMSXMERMYBML-GASCZTMLSA-N 1 2 284.363 1.097 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnnc(C)c1 ZINC001017506981 935641275 /nfs/dbraw/zinc/64/12/75/935641275.db2.gz PYGMSXMERMYBML-GASCZTMLSA-N 1 2 284.363 1.097 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(F)(F)F ZINC001017797000 935650072 /nfs/dbraw/zinc/65/00/72/935650072.db2.gz WZJFBSMZVDCXMB-MXWKQRLJSA-N 1 2 274.286 1.493 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(F)(F)F ZINC001017797000 935650074 /nfs/dbraw/zinc/65/00/74/935650074.db2.gz WZJFBSMZVDCXMB-MXWKQRLJSA-N 1 2 274.286 1.493 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccsc1C ZINC001018031755 935658372 /nfs/dbraw/zinc/65/83/72/935658372.db2.gz MQQJFIGLIAEEMI-GASCZTMLSA-N 1 2 288.416 1.907 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccsc1C ZINC001018031755 935658376 /nfs/dbraw/zinc/65/83/76/935658376.db2.gz MQQJFIGLIAEEMI-GASCZTMLSA-N 1 2 288.416 1.907 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccn1C(C)C ZINC001018280253 935663890 /nfs/dbraw/zinc/66/38/90/935663890.db2.gz OVFGPYQVWZYCNZ-GASCZTMLSA-N 1 2 285.391 1.991 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccn1C(C)C ZINC001018280253 935663891 /nfs/dbraw/zinc/66/38/91/935663891.db2.gz OVFGPYQVWZYCNZ-GASCZTMLSA-N 1 2 285.391 1.991 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)n([C@H](C)CC)n1 ZINC001038437202 935744184 /nfs/dbraw/zinc/74/41/84/935744184.db2.gz UMBOMUPNBREWHL-OCCSQVGLSA-N 1 2 288.395 1.600 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)n([C@H](C)CC)n1 ZINC001038437202 935744185 /nfs/dbraw/zinc/74/41/85/935744185.db2.gz UMBOMUPNBREWHL-OCCSQVGLSA-N 1 2 288.395 1.600 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccncc1Cl ZINC001038740677 935755119 /nfs/dbraw/zinc/75/51/19/935755119.db2.gz SPEPCXVRBCYXHF-SNVBAGLBSA-N 1 2 263.728 1.172 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccncc1Cl ZINC001038740677 935755123 /nfs/dbraw/zinc/75/51/23/935755123.db2.gz SPEPCXVRBCYXHF-SNVBAGLBSA-N 1 2 263.728 1.172 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncccc1F ZINC001038851761 935759883 /nfs/dbraw/zinc/75/98/83/935759883.db2.gz SIPHXCLUKNIIQJ-NSHDSACASA-N 1 2 261.300 1.048 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ncccc1F ZINC001038851761 935759884 /nfs/dbraw/zinc/75/98/84/935759884.db2.gz SIPHXCLUKNIIQJ-NSHDSACASA-N 1 2 261.300 1.048 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001039071068 935767051 /nfs/dbraw/zinc/76/70/51/935767051.db2.gz SZAZGKDWPPXFOE-ARSDKDGVSA-N 1 2 258.365 1.102 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001039071068 935767054 /nfs/dbraw/zinc/76/70/54/935767054.db2.gz SZAZGKDWPPXFOE-ARSDKDGVSA-N 1 2 258.365 1.102 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COC ZINC001039314867 935771392 /nfs/dbraw/zinc/77/13/92/935771392.db2.gz PONNQKNFXRPOJW-NEPJUHHUSA-N 1 2 272.776 1.451 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COC ZINC001039314867 935771393 /nfs/dbraw/zinc/77/13/93/935771393.db2.gz PONNQKNFXRPOJW-NEPJUHHUSA-N 1 2 272.776 1.451 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@@H]2OCC)C1 ZINC001042504739 935822819 /nfs/dbraw/zinc/82/28/19/935822819.db2.gz NVZPJQSMSRBGMF-OLZOCXBDSA-N 1 2 252.358 1.130 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccoc2CC)C1 ZINC001042674988 935826554 /nfs/dbraw/zinc/82/65/54/935826554.db2.gz MCWURYQZHBXICC-UHFFFAOYSA-N 1 2 260.337 1.622 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cn2nc(C)cc2C(F)F)C1 ZINC001042791418 935829506 /nfs/dbraw/zinc/82/95/06/935829506.db2.gz VCVVXAOBEOZBTP-UHFFFAOYSA-N 1 2 298.337 1.458 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccnn2C(F)F)C1 ZINC001042787590 935829530 /nfs/dbraw/zinc/82/95/30/935829530.db2.gz NLGDXANSJQZGDT-UHFFFAOYSA-N 1 2 284.310 1.611 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2n[nH]c3c2CCCC3)C1 ZINC001043207491 935835126 /nfs/dbraw/zinc/83/51/26/935835126.db2.gz MHMIGVWKBZESRJ-UHFFFAOYSA-N 1 2 288.395 1.621 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2nc(Cl)sc2C)C1 ZINC001043306265 935836921 /nfs/dbraw/zinc/83/69/21/935836921.db2.gz JISWGAOBGDJSFI-UHFFFAOYSA-N 1 2 297.811 1.884 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn(C(C)C)c2C)C1 ZINC001044168341 935852820 /nfs/dbraw/zinc/85/28/20/935852820.db2.gz HGDGWUHPDSJGNB-UHFFFAOYSA-N 1 2 288.395 1.552 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2c[nH]c3ncccc23)C1 ZINC001044341712 935857842 /nfs/dbraw/zinc/85/78/42/935857842.db2.gz UHXHAFUDXLRDJE-UHFFFAOYSA-N 1 2 298.390 1.824 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2csc(C3CC3)n2)C1 ZINC001044364035 935858889 /nfs/dbraw/zinc/85/88/89/935858889.db2.gz CRVQJVDWHWFUKY-UHFFFAOYSA-N 1 2 289.404 1.800 20 30 CDEDLO Cc1[nH+]c(C(C)N=Nc2ncccc2[N+](=O)[O-])cn1C ZINC000800814409 935937905 /nfs/dbraw/zinc/93/79/05/935937905.db2.gz VHUKVQSKZRJAIQ-UHFFFAOYSA-N 1 2 274.284 1.868 20 30 CDEDLO CC#CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001046827731 935976705 /nfs/dbraw/zinc/97/67/05/935976705.db2.gz AEXARKNTMAWBNN-INIZCTEOSA-N 1 2 297.362 1.175 20 30 CDEDLO CC#CC[N@H+]1CC[C@](C)(NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001046827731 935976706 /nfs/dbraw/zinc/97/67/06/935976706.db2.gz AEXARKNTMAWBNN-INIZCTEOSA-N 1 2 297.362 1.175 20 30 CDEDLO C[C@H](C#N)OCCOC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000801857578 936011581 /nfs/dbraw/zinc/01/15/81/936011581.db2.gz ZWDPZVITOIBFDA-OCCSQVGLSA-N 1 2 276.336 1.761 20 30 CDEDLO Cc1cnc([C@@H](C)[NH2+]CCNC(=O)CSCC#N)o1 ZINC001123792391 936223428 /nfs/dbraw/zinc/22/34/28/936223428.db2.gz VLVCZYCGZQRPIZ-SNVBAGLBSA-N 1 2 282.369 1.007 20 30 CDEDLO CC(C)c1cnc(C[NH2+]CCNC(=O)CSCC#N)o1 ZINC001123799663 936224625 /nfs/dbraw/zinc/22/46/25/936224625.db2.gz ZLAQXQGIHRMYFQ-UHFFFAOYSA-N 1 2 296.396 1.261 20 30 CDEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1snnc1CC)C2 ZINC001097467237 936303602 /nfs/dbraw/zinc/30/36/02/936303602.db2.gz PSSQJIKOBSDKSP-JLLWLGSASA-N 1 2 292.408 1.622 20 30 CDEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1snnc1CC)C2 ZINC001097467237 936303607 /nfs/dbraw/zinc/30/36/07/936303607.db2.gz PSSQJIKOBSDKSP-JLLWLGSASA-N 1 2 292.408 1.622 20 30 CDEDLO C=C(C)CCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC001120647602 937821690 /nfs/dbraw/zinc/82/16/90/937821690.db2.gz HGCRXYUWSNOPEQ-UONOGXRCSA-N 1 2 266.385 1.664 20 30 CDEDLO C#CC[NH2+]CC(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC001121911862 937889608 /nfs/dbraw/zinc/88/96/08/937889608.db2.gz ZCLDPXLJEHOEKM-CQSZACIVSA-N 1 2 298.346 1.576 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122319050 937921008 /nfs/dbraw/zinc/92/10/08/937921008.db2.gz ZFANWVYPXMIDIQ-GFCCVEGCSA-N 1 2 292.383 1.276 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1ccc(Cl)nc1 ZINC001156321222 938351177 /nfs/dbraw/zinc/35/11/77/938351177.db2.gz VCYRLOXHVUKONR-VIFPVBQESA-N 1 2 272.686 1.582 20 30 CDEDLO C=C[C@@H](CO)Nc1[nH+]cccc1CC(=O)OCC ZINC001158813366 938665883 /nfs/dbraw/zinc/66/58/83/938665883.db2.gz NVNHAXNRIYCNMC-NSHDSACASA-N 1 2 250.298 1.146 20 30 CDEDLO N#CCCN(Cc1ccc(Cl)cc1)C(=O)C1(F)C[NH2+]C1 ZINC001160738582 938823132 /nfs/dbraw/zinc/82/31/32/938823132.db2.gz NWEMULLZGUFKJI-UHFFFAOYSA-N 1 2 295.745 1.894 20 30 CDEDLO N#Cc1cncc(CNc2cc(N3CCOCC3)nc[nH+]2)c1 ZINC001160989876 938854518 /nfs/dbraw/zinc/85/45/18/938854518.db2.gz SQOJMIAKAWNUOU-UHFFFAOYSA-N 1 2 296.334 1.192 20 30 CDEDLO N#Cc1cncc(CNc2cc(N3CCOCC3)[nH+]cn2)c1 ZINC001160989876 938854519 /nfs/dbraw/zinc/85/45/19/938854519.db2.gz SQOJMIAKAWNUOU-UHFFFAOYSA-N 1 2 296.334 1.192 20 30 CDEDLO N#Cc1ccc(NC2CN(c3cccc[nH+]3)C2)nc1 ZINC001161319034 938888022 /nfs/dbraw/zinc/88/80/22/938888022.db2.gz HKTHNNKADOYPLO-UHFFFAOYSA-N 1 2 251.293 1.649 20 30 CDEDLO Cc1ccc(C#N)c(NC2CN(c3cccc[nH+]3)C2)n1 ZINC001161319654 938888179 /nfs/dbraw/zinc/88/81/79/938888179.db2.gz XPQBAWIRDRAYLO-UHFFFAOYSA-N 1 2 265.320 1.957 20 30 CDEDLO N#Cc1cncc(NCc2ccc3[nH+]ccn3c2)n1 ZINC001163136552 939210669 /nfs/dbraw/zinc/21/06/69/939210669.db2.gz KPHRNTBARQEWJZ-UHFFFAOYSA-N 1 2 250.265 1.608 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1cnc(Cl)c(N)c1 ZINC001164652974 939502466 /nfs/dbraw/zinc/50/24/66/939502466.db2.gz WTPSFRBTMZBUMU-MRVPVSSYSA-N 1 2 287.701 1.164 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CSC)C1 ZINC001205839570 939944193 /nfs/dbraw/zinc/94/41/93/939944193.db2.gz OXYHPMKZMCSCAL-PSASIEDQSA-N 1 2 262.806 1.538 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CSC)C1 ZINC001205839570 939944197 /nfs/dbraw/zinc/94/41/97/939944197.db2.gz OXYHPMKZMCSCAL-PSASIEDQSA-N 1 2 262.806 1.538 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ncccn2)C[C@H]1C ZINC001208452439 940332853 /nfs/dbraw/zinc/33/28/53/940332853.db2.gz LAGQTKZACFIZKI-ZIAGYGMSSA-N 1 2 288.395 1.769 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2ncccn2)C[C@H]1C ZINC001208452439 940332856 /nfs/dbraw/zinc/33/28/56/940332856.db2.gz LAGQTKZACFIZKI-ZIAGYGMSSA-N 1 2 288.395 1.769 20 30 CDEDLO C=CCN(CC[N@@H+]1CCC[C@@H]1C(=O)OC)C(=O)OCC ZINC001209017584 940424464 /nfs/dbraw/zinc/42/44/64/940424464.db2.gz UQZVVBRSIYPULU-GFCCVEGCSA-N 1 2 284.356 1.268 20 30 CDEDLO C=CCN(CC[N@H+]1CCC[C@@H]1C(=O)OC)C(=O)OCC ZINC001209017584 940424465 /nfs/dbraw/zinc/42/44/65/940424465.db2.gz UQZVVBRSIYPULU-GFCCVEGCSA-N 1 2 284.356 1.268 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3cnccn3)CC2)cc1 ZINC001209785302 940641754 /nfs/dbraw/zinc/64/17/54/940641754.db2.gz KAEXSIMBBYXNBY-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1C1=CC(=O)CC(C)(C)C1 ZINC001210149634 940667252 /nfs/dbraw/zinc/66/72/52/940667252.db2.gz CKUDSUQRZMQEEM-UHFFFAOYSA-N 1 2 277.324 1.872 20 30 CDEDLO C#Cc1cccc(CN2CC[NH2+]CC(F)(F)C2)c1 ZINC001211342594 940748280 /nfs/dbraw/zinc/74/82/80/940748280.db2.gz WOHTZNGPDXHVOB-UHFFFAOYSA-N 1 2 250.292 1.708 20 30 CDEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1C ZINC001211420303 940752882 /nfs/dbraw/zinc/75/28/82/940752882.db2.gz CDOVZTQORGZKPH-TZMCWYRMSA-N 1 2 293.367 1.204 20 30 CDEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1C ZINC001211420303 940752888 /nfs/dbraw/zinc/75/28/88/940752888.db2.gz CDOVZTQORGZKPH-TZMCWYRMSA-N 1 2 293.367 1.204 20 30 CDEDLO C#Cc1cc(Nc2cc(C(=O)NC)ccc2OC)cc[nH+]1 ZINC001215301599 940871169 /nfs/dbraw/zinc/87/11/69/940871169.db2.gz AZLRMVLWZXANMS-UHFFFAOYSA-N 1 2 281.315 1.597 20 30 CDEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]21 ZINC001217493847 940995568 /nfs/dbraw/zinc/99/55/68/940995568.db2.gz PQSAPWGEHMNQPS-NMTKSXOJSA-N 1 2 284.787 1.617 20 30 CDEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]21 ZINC001217493847 940995573 /nfs/dbraw/zinc/99/55/73/940995573.db2.gz PQSAPWGEHMNQPS-NMTKSXOJSA-N 1 2 284.787 1.617 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC1CC[NH+](Cc2cnns2)CC1 ZINC001222658432 941622443 /nfs/dbraw/zinc/62/24/43/941622443.db2.gz NIZKBVNJLVPFKS-JTQLQIEISA-N 1 2 293.396 1.026 20 30 CDEDLO Cc1nc(C[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)co1 ZINC001226639501 942039841 /nfs/dbraw/zinc/03/98/41/942039841.db2.gz DUABAULQEYMDDN-SNVBAGLBSA-N 1 2 276.340 1.223 20 30 CDEDLO COc1cc(O)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001228265297 942285938 /nfs/dbraw/zinc/28/59/38/942285938.db2.gz XDOAYZYDYCBXDE-RBRDRRMGSA-N 1 2 277.320 1.392 20 30 CDEDLO COc1cc(O)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001228265297 942285942 /nfs/dbraw/zinc/28/59/42/942285942.db2.gz XDOAYZYDYCBXDE-RBRDRRMGSA-N 1 2 277.320 1.392 20 30 CDEDLO COc1ncc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cc1C ZINC001228665900 942353108 /nfs/dbraw/zinc/35/31/08/942353108.db2.gz MVBTVGVBENYUFU-VSSGSJIUSA-N 1 2 276.336 1.390 20 30 CDEDLO COc1ncc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cc1C ZINC001228665900 942353113 /nfs/dbraw/zinc/35/31/13/942353113.db2.gz MVBTVGVBENYUFU-VSSGSJIUSA-N 1 2 276.336 1.390 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C(F)(F)F ZINC001316608792 942544572 /nfs/dbraw/zinc/54/45/72/942544572.db2.gz ZHSOHPTYTXFCDH-JTQLQIEISA-N 1 2 276.302 1.741 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C(F)(F)F ZINC001316608792 942544575 /nfs/dbraw/zinc/54/45/75/942544575.db2.gz ZHSOHPTYTXFCDH-JTQLQIEISA-N 1 2 276.302 1.741 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3n[nH]c4ccc(F)cc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229910448 942552271 /nfs/dbraw/zinc/55/22/71/942552271.db2.gz BEROILXGXREZMW-UBYSCORNSA-N 1 2 289.310 1.693 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3n[nH]c4ccc(F)cc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229910448 942552276 /nfs/dbraw/zinc/55/22/76/942552276.db2.gz BEROILXGXREZMW-UBYSCORNSA-N 1 2 289.310 1.693 20 30 CDEDLO C[C@@H](C#N)C(=O)NCCC[N@H+](CCF)Cc1cccnc1 ZINC001230714159 942682629 /nfs/dbraw/zinc/68/26/29/942682629.db2.gz WYOBVBVPQWBRIJ-ZDUSSCGKSA-N 1 2 292.358 1.519 20 30 CDEDLO C[C@@H](C#N)C(=O)NCCC[N@@H+](CCF)Cc1cccnc1 ZINC001230714159 942682631 /nfs/dbraw/zinc/68/26/31/942682631.db2.gz WYOBVBVPQWBRIJ-ZDUSSCGKSA-N 1 2 292.358 1.519 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4ncccc4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230718595 942683661 /nfs/dbraw/zinc/68/36/61/942683661.db2.gz CRNHYMALCVGGHM-KIMJBNCKSA-N 1 2 283.331 1.621 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4ncccc4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230718595 942683663 /nfs/dbraw/zinc/68/36/63/942683663.db2.gz CRNHYMALCVGGHM-KIMJBNCKSA-N 1 2 283.331 1.621 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(=O)NCC=C ZINC001231121411 942792007 /nfs/dbraw/zinc/79/20/07/942792007.db2.gz CLTCBIWFWFOHDN-UONOGXRCSA-N 1 2 293.411 1.176 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NCC=C ZINC001231121411 942792010 /nfs/dbraw/zinc/79/20/10/942792010.db2.gz CLTCBIWFWFOHDN-UONOGXRCSA-N 1 2 293.411 1.176 20 30 CDEDLO C#CC[NH+]1CCN(Cc2nc(Cl)ccc2F)CC1 ZINC001232162385 943154946 /nfs/dbraw/zinc/15/49/46/943154946.db2.gz FURMCMVBORPBNE-UHFFFAOYSA-N 1 2 267.735 1.625 20 30 CDEDLO N#Cc1ccnc(C[N@H+]2CC3CC2(C(=O)N2CCCC2)C3)c1 ZINC001232479680 943292874 /nfs/dbraw/zinc/29/28/74/943292874.db2.gz ZFFLHGXOMUDPFO-UHFFFAOYSA-N 1 2 296.374 1.540 20 30 CDEDLO N#Cc1ccnc(C[N@@H+]2CC3CC2(C(=O)N2CCCC2)C3)c1 ZINC001232479680 943292876 /nfs/dbraw/zinc/29/28/76/943292876.db2.gz ZFFLHGXOMUDPFO-UHFFFAOYSA-N 1 2 296.374 1.540 20 30 CDEDLO CC[N@H+](CCn1cccn1)Cc1cc(C#N)ccc1O ZINC001232678497 943359034 /nfs/dbraw/zinc/35/90/34/943359034.db2.gz HSZVXOQOFGGQNN-UHFFFAOYSA-N 1 2 270.336 1.982 20 30 CDEDLO CC[N@@H+](CCn1cccn1)Cc1cc(C#N)ccc1O ZINC001232678497 943359041 /nfs/dbraw/zinc/35/90/41/943359041.db2.gz HSZVXOQOFGGQNN-UHFFFAOYSA-N 1 2 270.336 1.982 20 30 CDEDLO Cc1ncc(C[N@@H+](C)Cc2cc(C#N)ccc2O)cn1 ZINC001232677373 943359919 /nfs/dbraw/zinc/35/99/19/943359919.db2.gz BTCJXLNSMMYKDV-UHFFFAOYSA-N 1 2 268.320 1.994 20 30 CDEDLO Cc1ncc(C[N@H+](C)Cc2cc(C#N)ccc2O)cn1 ZINC001232677373 943359923 /nfs/dbraw/zinc/35/99/23/943359923.db2.gz BTCJXLNSMMYKDV-UHFFFAOYSA-N 1 2 268.320 1.994 20 30 CDEDLO N#Cc1cc[nH]c1C[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC001233047093 943475012 /nfs/dbraw/zinc/47/50/12/943475012.db2.gz ONDLXVROGWRMRM-UHFFFAOYSA-N 1 2 286.379 1.767 20 30 CDEDLO N#Cc1ccccc1OC1CN(Cc2cccc(N)[nH+]2)C1 ZINC001233373390 943565108 /nfs/dbraw/zinc/56/51/08/943565108.db2.gz FTNYLASEBBVLMH-UHFFFAOYSA-N 1 2 280.331 1.799 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(F)c(F)cc3O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233973545 943705355 /nfs/dbraw/zinc/70/53/55/943705355.db2.gz DCJNUHDVHPPGKP-JSEJZBOZSA-N 1 2 283.274 1.662 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(F)c(F)cc3O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233973545 943705360 /nfs/dbraw/zinc/70/53/60/943705360.db2.gz DCJNUHDVHPPGKP-JSEJZBOZSA-N 1 2 283.274 1.662 20 30 CDEDLO Cc1nccc([N+](=O)[O-])c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001234899193 943968756 /nfs/dbraw/zinc/96/87/56/943968756.db2.gz APCIDJKNYHDFHU-LSVRBPJHSA-N 1 2 291.307 1.289 20 30 CDEDLO Cc1nccc([N+](=O)[O-])c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001234899193 943968758 /nfs/dbraw/zinc/96/87/58/943968758.db2.gz APCIDJKNYHDFHU-LSVRBPJHSA-N 1 2 291.307 1.289 20 30 CDEDLO N#CCc1ccccc1C[NH+]1CC2(C1)CS(=O)C2 ZINC001235517170 944184510 /nfs/dbraw/zinc/18/45/10/944184510.db2.gz XMXRLZNNYLXDJS-UHFFFAOYSA-N 1 2 260.362 1.317 20 30 CDEDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccccc2CC#N)C1 ZINC001235530643 944190044 /nfs/dbraw/zinc/19/00/44/944190044.db2.gz WDRDNLKLOZEZRW-OAHLLOKOSA-N 1 2 292.404 1.762 20 30 CDEDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2CC#N)C1 ZINC001235530643 944190047 /nfs/dbraw/zinc/19/00/47/944190047.db2.gz WDRDNLKLOZEZRW-OAHLLOKOSA-N 1 2 292.404 1.762 20 30 CDEDLO N#Cc1cc(C[NH+]2CC(C3COC3)C2)c(F)cc1F ZINC001237532739 944826319 /nfs/dbraw/zinc/82/63/19/944826319.db2.gz SYCNWVAFSMEZJV-UHFFFAOYSA-N 1 2 264.275 1.915 20 30 CDEDLO COC(=O)C1CC[NH+](Cc2cn3cc(C#N)ccc3n2)CC1 ZINC001237603502 944874855 /nfs/dbraw/zinc/87/48/55/944874855.db2.gz BLXBHVUWBZEJPA-UHFFFAOYSA-N 1 2 298.346 1.591 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(OC)nc2Cl)CC1 ZINC001237797758 944953532 /nfs/dbraw/zinc/95/35/32/944953532.db2.gz PRNRPTMTLGOQJL-UHFFFAOYSA-N 1 2 279.771 1.494 20 30 CDEDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2[C@H]1CC[C@@H](C#N)C1 ZINC001254671099 947586603 /nfs/dbraw/zinc/58/66/03/947586603.db2.gz OTYFWNWDHRJDII-PEBLQZBPSA-N 1 2 278.352 1.331 20 30 CDEDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@H+]2[C@H]1CC[C@@H](C#N)C1 ZINC001254671099 947586612 /nfs/dbraw/zinc/58/66/12/947586612.db2.gz OTYFWNWDHRJDII-PEBLQZBPSA-N 1 2 278.352 1.331 20 30 CDEDLO N#C[C@@H]1CN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC1=O ZINC001255117261 947744038 /nfs/dbraw/zinc/74/40/38/947744038.db2.gz PJPBBRAELYWGGR-HZPDHXFCSA-N 1 2 283.375 1.675 20 30 CDEDLO N#C[C@@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1=O ZINC001255117261 947744048 /nfs/dbraw/zinc/74/40/48/947744048.db2.gz PJPBBRAELYWGGR-HZPDHXFCSA-N 1 2 283.375 1.675 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001255168878 947760919 /nfs/dbraw/zinc/76/09/19/947760919.db2.gz XQDZKPBTZSQLQA-HRCADAONSA-N 1 2 298.390 1.949 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001255168878 947760927 /nfs/dbraw/zinc/76/09/27/947760927.db2.gz XQDZKPBTZSQLQA-HRCADAONSA-N 1 2 298.390 1.949 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CC[C@H](Oc2ncncc2C)C1 ZINC001255177161 947765589 /nfs/dbraw/zinc/76/55/89/947765589.db2.gz NXGXNEABCWUOSM-OLZOCXBDSA-N 1 2 260.341 1.930 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CC[C@H](Oc2ncncc2C)C1 ZINC001255177161 947765594 /nfs/dbraw/zinc/76/55/94/947765594.db2.gz NXGXNEABCWUOSM-OLZOCXBDSA-N 1 2 260.341 1.930 20 30 CDEDLO 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1163431440 /nfs/dbraw/zinc/43/14/40/1163431440.db2.gz JQMWHHOVXKTSPK-LBPRGKRZSA-N 1 2 265.357 1.791 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+]Cc1nc(C(C)C)no1 ZINC001133154597 1163585421 /nfs/dbraw/zinc/58/54/21/1163585421.db2.gz LXCUHSDMQYMGDB-UHFFFAOYSA-N 1 2 280.372 1.755 20 30 CDEDLO C=C[C@@H](CO)Nc1[nH+]ccc2cc(C(=O)OCC)[nH]c21 ZINC001158814345 1163604463 /nfs/dbraw/zinc/60/44/63/1163604463.db2.gz FIPQOVSDOCGNHU-JTQLQIEISA-N 1 2 275.308 1.698 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170688549 1163745175 /nfs/dbraw/zinc/74/51/75/1163745175.db2.gz AEGWLPINCYPSEG-OLZOCXBDSA-N 1 2 277.318 1.619 20 30 CDEDLO CCc1cc(C#N)ccc1OC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC001573825613 1170790024 /nfs/dbraw/zinc/79/00/24/1170790024.db2.gz DBJNNTKNHWRXEC-XJKSGUPXSA-N 1 2 288.347 1.793 20 30 CDEDLO C=CCn1c(CC)nnc1N1CCC[C@@H]([NH2+]CC(F)F)C1 ZINC001574954638 1171061134 /nfs/dbraw/zinc/06/11/34/1171061134.db2.gz OUJLKQOFLASLEU-LLVKDONJSA-N 1 2 299.369 1.850 20 30 CDEDLO N#Cc1ccc(F)c(CN2CCc3[nH+]c[nH]c3C2)c1 ZINC000590601351 342577654 /nfs/dbraw/zinc/57/76/54/342577654.db2.gz SUFLNNLYMUZGPJ-UHFFFAOYSA-N 1 2 256.284 1.979 20 30 CDEDLO COCCN(CC#N)Cc1cn2cccc(C)c2[nH+]1 ZINC000590964679 342611803 /nfs/dbraw/zinc/61/18/03/342611803.db2.gz IGSDEQHKUWTTBA-UHFFFAOYSA-N 1 2 258.325 1.615 20 30 CDEDLO N#CCC1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000611617600 346838246 /nfs/dbraw/zinc/83/82/46/346838246.db2.gz MBIRJNPZEULYIE-UHFFFAOYSA-N 1 2 268.324 1.792 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000592149977 342668527 /nfs/dbraw/zinc/66/85/27/342668527.db2.gz AQBCNXJGGYUEDH-HNNXBMFYSA-N 1 2 283.335 1.118 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000592149977 342668528 /nfs/dbraw/zinc/66/85/28/342668528.db2.gz AQBCNXJGGYUEDH-HNNXBMFYSA-N 1 2 283.335 1.118 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2noc3c2CCCC3)C1 ZINC000592152584 342669432 /nfs/dbraw/zinc/66/94/32/342669432.db2.gz YGQFJMCAXHWHQQ-CQSZACIVSA-N 1 2 261.325 1.404 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC000592152584 342669433 /nfs/dbraw/zinc/66/94/33/342669433.db2.gz YGQFJMCAXHWHQQ-CQSZACIVSA-N 1 2 261.325 1.404 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cnnn2-c2ccccc2)C1 ZINC000592153325 342669705 /nfs/dbraw/zinc/66/97/05/342669705.db2.gz LUJYNQXWYGJYAO-HNNXBMFYSA-N 1 2 283.335 1.118 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cnnn2-c2ccccc2)C1 ZINC000592153325 342669706 /nfs/dbraw/zinc/66/97/06/342669706.db2.gz LUJYNQXWYGJYAO-HNNXBMFYSA-N 1 2 283.335 1.118 20 30 CDEDLO CN(C)c1cc(C#N)cc(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000340585186 361848132 /nfs/dbraw/zinc/84/81/32/361848132.db2.gz QTFWTZTZFPLBIO-UHFFFAOYSA-N 1 2 269.308 1.277 20 30 CDEDLO CN(C)c1cc(C#N)cc(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000340585186 361848136 /nfs/dbraw/zinc/84/81/36/361848136.db2.gz QTFWTZTZFPLBIO-UHFFFAOYSA-N 1 2 269.308 1.277 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)[C@H](CC)CO1 ZINC000593057606 342760446 /nfs/dbraw/zinc/76/04/46/342760446.db2.gz GJXNRVTUSOGHIF-RRFJBIMHSA-N 1 2 295.427 1.884 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)[C@H](CC)CO1 ZINC000593057606 342760447 /nfs/dbraw/zinc/76/04/47/342760447.db2.gz GJXNRVTUSOGHIF-RRFJBIMHSA-N 1 2 295.427 1.884 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCCCC[C@@H]1CO ZINC000157064492 342177761 /nfs/dbraw/zinc/17/77/61/342177761.db2.gz LGVBRHZHRFAEME-GFCCVEGCSA-N 1 2 293.392 1.795 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCCC[C@@H]1CO ZINC000157064492 342177762 /nfs/dbraw/zinc/17/77/62/342177762.db2.gz LGVBRHZHRFAEME-GFCCVEGCSA-N 1 2 293.392 1.795 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCc1ccccn1 ZINC000593154578 342774282 /nfs/dbraw/zinc/77/42/82/342774282.db2.gz LOLKZJZYSCQEAI-OAHLLOKOSA-N 1 2 274.368 1.364 20 30 CDEDLO N#CCCCCCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000588620964 342217425 /nfs/dbraw/zinc/21/74/25/342217425.db2.gz PJLMIMNEUKKFQK-OAHLLOKOSA-N 1 2 293.411 1.784 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@H]1CCOc2ccccc21 ZINC000594009402 342862929 /nfs/dbraw/zinc/86/29/29/342862929.db2.gz JGKCGYMTABBVAP-JSGCOSHPSA-N 1 2 287.363 1.908 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N1CC(=O)Nc2ccccc21 ZINC000594008846 342862937 /nfs/dbraw/zinc/86/29/37/342862937.db2.gz AGDXIWLQUCDFFD-NSHDSACASA-N 1 2 286.335 1.254 20 30 CDEDLO Cc1c[nH+]c(CCNc2nccnc2C#N)c(C)c1 ZINC000594597425 342919591 /nfs/dbraw/zinc/91/95/91/342919591.db2.gz UALOAHCEYLIYMY-UHFFFAOYSA-N 1 2 253.309 1.437 20 30 CDEDLO Cc1cn2ccc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)cc2[nH+]1 ZINC000595010173 342990319 /nfs/dbraw/zinc/99/03/19/342990319.db2.gz ICJMLHWNSFBXDG-NSHDSACASA-N 1 2 299.334 1.342 20 30 CDEDLO Cc1cc(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)nc(C)n1 ZINC000595397111 343047553 /nfs/dbraw/zinc/04/75/53/343047553.db2.gz IHEOQWFZWRAUNG-MRXNPFEDSA-N 1 2 287.411 1.759 20 30 CDEDLO CC1(C)C[S@](=O)CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595457041 343068024 /nfs/dbraw/zinc/06/80/24/343068024.db2.gz YDQMDOAPRGSVKX-LJQANCHMSA-N 1 2 276.405 1.944 20 30 CDEDLO CC1(C)C[S@](=O)CC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595457041 343068026 /nfs/dbraw/zinc/06/80/26/343068026.db2.gz YDQMDOAPRGSVKX-LJQANCHMSA-N 1 2 276.405 1.944 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1cnccn1 ZINC000080966166 342362453 /nfs/dbraw/zinc/36/24/53/342362453.db2.gz YWXZOUOVOCAQIX-DOMZBBRYSA-N 1 2 289.383 1.351 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1cnccn1 ZINC000080966166 342362454 /nfs/dbraw/zinc/36/24/54/342362454.db2.gz YWXZOUOVOCAQIX-DOMZBBRYSA-N 1 2 289.383 1.351 20 30 CDEDLO COC[C@H]1CC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000083207441 342376669 /nfs/dbraw/zinc/37/66/69/342376669.db2.gz RUAITPKGIYIDQN-ZFWWWQNUSA-N 1 2 288.347 1.741 20 30 CDEDLO COC[C@H]1CC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000083207441 342376670 /nfs/dbraw/zinc/37/66/70/342376670.db2.gz RUAITPKGIYIDQN-ZFWWWQNUSA-N 1 2 288.347 1.741 20 30 CDEDLO Cc1cc(NC[C@@H]2CC(=O)N(C(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000596521900 343334166 /nfs/dbraw/zinc/33/41/66/343334166.db2.gz UFHWBOWQMLIHQQ-LBPRGKRZSA-N 1 2 286.379 1.743 20 30 CDEDLO N#CCCCCS(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000088777043 342387331 /nfs/dbraw/zinc/38/73/31/342387331.db2.gz LUIPWELFUNSXJO-LBPRGKRZSA-N 1 2 296.396 1.613 20 30 CDEDLO Cc1[nH+]c2cc(NC(=O)C(=O)NC[C@@H](C)C#N)ccc2n1C ZINC000091280716 342402889 /nfs/dbraw/zinc/40/28/89/342402889.db2.gz XKAIXTFUMRIIHP-VIFPVBQESA-N 1 2 299.334 1.096 20 30 CDEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccco2)CC1 ZINC000094133084 342429893 /nfs/dbraw/zinc/42/98/93/342429893.db2.gz MCUJZBAAJZYMDS-UHFFFAOYSA-N 1 2 268.320 1.868 20 30 CDEDLO Cc1cc[nH+]cc1N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000332421119 136384168 /nfs/dbraw/zinc/38/41/68/136384168.db2.gz FSCQLNJMTHVXJI-UHFFFAOYSA-N 1 2 295.346 1.552 20 30 CDEDLO CN(C)c1ccc(CNC(=O)N2CC(O)(C3CC3)C2)c[nH+]1 ZINC000330265846 529778763 /nfs/dbraw/zinc/77/87/63/529778763.db2.gz ZUSLFHFPOJROMW-UHFFFAOYSA-N 1 2 290.367 1.018 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1sccc1C#N ZINC000597999919 343685575 /nfs/dbraw/zinc/68/55/75/343685575.db2.gz SZGNTZPHWGYARI-MNOVXSKESA-N 1 2 293.392 1.459 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1sccc1C#N ZINC000597999919 343685577 /nfs/dbraw/zinc/68/55/77/343685577.db2.gz SZGNTZPHWGYARI-MNOVXSKESA-N 1 2 293.392 1.459 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(C(=O)NCCCC)CC1 ZINC000619715780 349865664 /nfs/dbraw/zinc/86/56/64/349865664.db2.gz OMRQVJDHHHWMME-CYBMUJFWSA-N 1 2 282.384 1.342 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(NC(=O)CCC)CC1 ZINC000619716638 349866715 /nfs/dbraw/zinc/86/67/15/349866715.db2.gz XXMBVHQFOBCXTO-GFCCVEGCSA-N 1 2 268.357 1.095 20 30 CDEDLO N#Cc1ccc(NCC(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000598947224 343923237 /nfs/dbraw/zinc/92/32/37/343923237.db2.gz KNWXWFVTZJEXJB-CQSZACIVSA-N 1 2 295.346 1.298 20 30 CDEDLO Cc1cc(C)c(C#N)c(NC[C@H]2COCC[N@H+]2C)n1 ZINC000599161072 343970967 /nfs/dbraw/zinc/97/09/67/343970967.db2.gz RMBDFKVWABIYHT-LBPRGKRZSA-N 1 2 260.341 1.313 20 30 CDEDLO Cc1cc(C)c(C#N)c(NC[C@H]2COCC[N@@H+]2C)n1 ZINC000599161072 343970969 /nfs/dbraw/zinc/97/09/69/343970969.db2.gz RMBDFKVWABIYHT-LBPRGKRZSA-N 1 2 260.341 1.313 20 30 CDEDLO C[N@@H+]1CCOC[C@@H]1CNc1nc2ncccc2cc1C#N ZINC000599160446 343971222 /nfs/dbraw/zinc/97/12/22/343971222.db2.gz JLUQDZBQPHXZDJ-ZDUSSCGKSA-N 1 2 283.335 1.244 20 30 CDEDLO C[N@H+]1CCOC[C@@H]1CNc1nc2ncccc2cc1C#N ZINC000599160446 343971225 /nfs/dbraw/zinc/97/12/25/343971225.db2.gz JLUQDZBQPHXZDJ-ZDUSSCGKSA-N 1 2 283.335 1.244 20 30 CDEDLO C[C@@H](NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000599455180 344057538 /nfs/dbraw/zinc/05/75/38/344057538.db2.gz IIRXYTZNBNQLRH-CZUORRHYSA-N 1 2 287.363 1.214 20 30 CDEDLO C[C@@H](NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000599455180 344057540 /nfs/dbraw/zinc/05/75/40/344057540.db2.gz IIRXYTZNBNQLRH-CZUORRHYSA-N 1 2 287.363 1.214 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000599455163 344066916 /nfs/dbraw/zinc/06/69/16/344066916.db2.gz IEZYJFKNWAGIQX-GFCCVEGCSA-N 1 2 285.269 1.951 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000599455163 344066917 /nfs/dbraw/zinc/06/69/17/344066917.db2.gz IEZYJFKNWAGIQX-GFCCVEGCSA-N 1 2 285.269 1.951 20 30 CDEDLO C=CC[N@@H+](C)CCS(=O)(=O)c1cccc(OC)c1 ZINC000127160726 187286609 /nfs/dbraw/zinc/28/66/09/187286609.db2.gz HGLJMQWQKGTXKD-UHFFFAOYSA-N 1 2 269.366 1.587 20 30 CDEDLO C=CC[N@H+](C)CCS(=O)(=O)c1cccc(OC)c1 ZINC000127160726 187286610 /nfs/dbraw/zinc/28/66/10/187286610.db2.gz HGLJMQWQKGTXKD-UHFFFAOYSA-N 1 2 269.366 1.587 20 30 CDEDLO C=CCOC[C@H]([NH2+]CCc1ccc(C)cc1)C(=O)OC ZINC000602644984 344513931 /nfs/dbraw/zinc/51/39/31/344513931.db2.gz PWVPSUJAHXIHRQ-HNNXBMFYSA-N 1 2 277.364 1.871 20 30 CDEDLO CCOc1cncc(C[NH+]2CCN(CCC#N)CC2)c1 ZINC000602748692 344562591 /nfs/dbraw/zinc/56/25/91/344562591.db2.gz QPLHSRMORZQOHA-UHFFFAOYSA-N 1 2 274.368 1.512 20 30 CDEDLO C=CC[N@H+](CC1(CC#N)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000602792681 344585139 /nfs/dbraw/zinc/58/51/39/344585139.db2.gz QXKXQPOCIMOPDV-GFCCVEGCSA-N 1 2 268.382 1.355 20 30 CDEDLO C=CC[N@@H+](CC1(CC#N)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000602792681 344585142 /nfs/dbraw/zinc/58/51/42/344585142.db2.gz QXKXQPOCIMOPDV-GFCCVEGCSA-N 1 2 268.382 1.355 20 30 CDEDLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1CC1(CC#N)CC1 ZINC000602799168 344589207 /nfs/dbraw/zinc/58/92/07/344589207.db2.gz BIWBGVBKYUGRGB-VXGBXAGGSA-N 1 2 266.341 1.333 20 30 CDEDLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1CC1(CC#N)CC1 ZINC000602799168 344589209 /nfs/dbraw/zinc/58/92/09/344589209.db2.gz BIWBGVBKYUGRGB-VXGBXAGGSA-N 1 2 266.341 1.333 20 30 CDEDLO N#CCC1(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)CC1 ZINC000602832794 344614214 /nfs/dbraw/zinc/61/42/14/344614214.db2.gz SBATXYQVSCTNFR-STQMWFEESA-N 1 2 250.342 1.560 20 30 CDEDLO N#CCC1(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)CC1 ZINC000602832794 344614216 /nfs/dbraw/zinc/61/42/16/344614216.db2.gz SBATXYQVSCTNFR-STQMWFEESA-N 1 2 250.342 1.560 20 30 CDEDLO Cc1cc(NC(=O)C[NH2+][C@H](C)CC#N)n(C(C)(C)C)n1 ZINC000602862703 344617698 /nfs/dbraw/zinc/61/76/98/344617698.db2.gz LTVAKHQWNBZHFP-SNVBAGLBSA-N 1 2 277.372 1.777 20 30 CDEDLO C[N@H+](Cc1ccccc1S(N)(=O)=O)CC1(CC#N)CC1 ZINC000602842507 344622524 /nfs/dbraw/zinc/62/25/24/344622524.db2.gz VKBFMXQSMWVZPZ-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO C[N@@H+](Cc1ccccc1S(N)(=O)=O)CC1(CC#N)CC1 ZINC000602842507 344622527 /nfs/dbraw/zinc/62/25/27/344622527.db2.gz VKBFMXQSMWVZPZ-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@@H](C)CC#N)c1 ZINC000602864469 344637720 /nfs/dbraw/zinc/63/77/20/344637720.db2.gz RLZCPEHWASDOJI-JTQLQIEISA-N 1 2 274.324 1.475 20 30 CDEDLO Cc1ccccc1C[C@H](C)NC(=O)C[NH2+][C@H](C)CC#N ZINC000602865369 344638377 /nfs/dbraw/zinc/63/83/77/344638377.db2.gz XPROXGCUZRYGDB-KGLIPLIRSA-N 1 2 273.380 1.934 20 30 CDEDLO N#Cc1cc(C(=O)NCC[NH+]2CCOCC2)ccc1Cl ZINC000537548155 282365565 /nfs/dbraw/zinc/36/55/65/282365565.db2.gz JAAJPLJNLOSRND-UHFFFAOYSA-N 1 2 293.754 1.274 20 30 CDEDLO CC[N@H+](CCN1C[C@H](C)O[C@@H](C)C1)C[C@H](C)C#N ZINC000313793723 344908667 /nfs/dbraw/zinc/90/86/67/344908667.db2.gz HJDCJWUPEFEEGD-RDBSUJKOSA-N 1 2 253.390 1.577 20 30 CDEDLO CC[N@@H+](CCN1C[C@H](C)O[C@@H](C)C1)C[C@H](C)C#N ZINC000313793723 344908669 /nfs/dbraw/zinc/90/86/69/344908669.db2.gz HJDCJWUPEFEEGD-RDBSUJKOSA-N 1 2 253.390 1.577 20 30 CDEDLO C/C=C(\CC)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000276459323 345375685 /nfs/dbraw/zinc/37/56/85/345375685.db2.gz FPSUDESYYHBMSF-LZWSPWQCSA-N 1 2 279.384 1.417 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)C3(C#N)CCCCC3)C[C@H]21 ZINC000332230793 290115238 /nfs/dbraw/zinc/11/52/38/290115238.db2.gz LXUXTJUTCADPAT-OLZOCXBDSA-N 1 2 277.368 1.002 20 30 CDEDLO N#Cc1ccc(NC(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000539366166 282453150 /nfs/dbraw/zinc/45/31/50/282453150.db2.gz IYRPBHFCHIRGHA-UHFFFAOYSA-N 1 2 267.292 1.844 20 30 CDEDLO CC[C@@](C)(C#N)c1nc([C@@H]2C[N@H+](C)CCN2C)no1 ZINC000350051851 346325069 /nfs/dbraw/zinc/32/50/69/346325069.db2.gz RJIWIZNOGYILLU-GWCFXTLKSA-N 1 2 263.345 1.179 20 30 CDEDLO CC[C@@](C)(C#N)c1nc([C@@H]2C[N@@H+](C)CCN2C)no1 ZINC000350051851 346325072 /nfs/dbraw/zinc/32/50/72/346325072.db2.gz RJIWIZNOGYILLU-GWCFXTLKSA-N 1 2 263.345 1.179 20 30 CDEDLO CCc1nnc2n1CC[N@@H+](Cc1ccc(C#N)cc1OC)C2 ZINC000611235762 346703923 /nfs/dbraw/zinc/70/39/23/346703923.db2.gz YPAKIJDBOZSGQU-UHFFFAOYSA-N 1 2 297.362 1.737 20 30 CDEDLO CCc1nnc2n1CC[N@H+](Cc1ccc(C#N)cc1OC)C2 ZINC000611235762 346703930 /nfs/dbraw/zinc/70/39/30/346703930.db2.gz YPAKIJDBOZSGQU-UHFFFAOYSA-N 1 2 297.362 1.737 20 30 CDEDLO C#CCN(C(=O)[C@H](C)[NH+]1CCN(C)CC1)C1CCCC1 ZINC000490949518 347578088 /nfs/dbraw/zinc/57/80/88/347578088.db2.gz LHHZFFYPVFNTKJ-AWEZNQCLSA-N 1 2 277.412 1.027 20 30 CDEDLO C=C[C@H](O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000613424180 347723524 /nfs/dbraw/zinc/72/35/24/347723524.db2.gz MFEAIXHZJIYEKP-AWEZNQCLSA-N 1 2 277.368 1.449 20 30 CDEDLO N#CC1CC[NH+]([C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000195312856 347725196 /nfs/dbraw/zinc/72/51/96/347725196.db2.gz DVHASIWPDGFJNG-CYBMUJFWSA-N 1 2 261.300 1.588 20 30 CDEDLO N#Cc1cc(O)cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000614298462 348064370 /nfs/dbraw/zinc/06/43/70/348064370.db2.gz OXZQKANEFVOPMA-UHFFFAOYSA-N 1 2 296.330 1.938 20 30 CDEDLO C=C[C@H](C(=O)OC)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000619718824 348189505 /nfs/dbraw/zinc/18/95/05/348189505.db2.gz ABACXLNRPZTTPN-OAHLLOKOSA-N 1 2 292.354 1.671 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc2cncnc2c1 ZINC000414154976 362924970 /nfs/dbraw/zinc/92/49/70/362924970.db2.gz UOSYRTLQBKWCMT-CYBMUJFWSA-N 1 2 286.335 1.215 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc2cncnc2c1 ZINC000414154976 362924974 /nfs/dbraw/zinc/92/49/74/362924974.db2.gz UOSYRTLQBKWCMT-CYBMUJFWSA-N 1 2 286.335 1.215 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@H](C)CO1 ZINC000045784947 348779035 /nfs/dbraw/zinc/77/90/35/348779035.db2.gz LFFQHUGNCSBIFX-ZIAGYGMSSA-N 1 2 293.411 1.780 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@H](C)CO1 ZINC000045784947 348779038 /nfs/dbraw/zinc/77/90/38/348779038.db2.gz LFFQHUGNCSBIFX-ZIAGYGMSSA-N 1 2 293.411 1.780 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438162 348764557 /nfs/dbraw/zinc/76/45/57/348764557.db2.gz ULXRWGJGRCERTH-UHFFFAOYSA-N 1 2 297.305 1.408 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438162 348764560 /nfs/dbraw/zinc/76/45/60/348764560.db2.gz ULXRWGJGRCERTH-UHFFFAOYSA-N 1 2 297.305 1.408 20 30 CDEDLO C#CCN(CC)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000056624450 348821352 /nfs/dbraw/zinc/82/13/52/348821352.db2.gz DNJPGZIMCSUHAK-UHFFFAOYSA-N 1 2 260.341 1.312 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@H]2Cc3ccccc3NC2=O)nn1 ZINC000623722011 351261996 /nfs/dbraw/zinc/26/19/96/351261996.db2.gz ZMTHOMLENXUOBK-HNNXBMFYSA-N 1 2 297.362 1.507 20 30 CDEDLO C=CC[N@@H+](C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000271542205 191202612 /nfs/dbraw/zinc/20/26/12/191202612.db2.gz ZBBPHXFWILJTSF-OAHLLOKOSA-N 1 2 295.404 1.774 20 30 CDEDLO C=CC[N@H+](C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000271542205 191202615 /nfs/dbraw/zinc/20/26/15/191202615.db2.gz ZBBPHXFWILJTSF-OAHLLOKOSA-N 1 2 295.404 1.774 20 30 CDEDLO C[C@H](CNC(=O)c1ccc(C#N)[nH]1)Cn1cc[nH+]c1 ZINC000153808936 188105639 /nfs/dbraw/zinc/10/56/39/188105639.db2.gz DXQDPUPXFZCZRN-SNVBAGLBSA-N 1 2 257.297 1.149 20 30 CDEDLO C#CCN(Cc1ccccc1)C(=O)NCc1c[nH+]cn1C ZINC000292429187 198284673 /nfs/dbraw/zinc/28/46/73/198284673.db2.gz UUCLJEIVIUITAY-UHFFFAOYSA-N 1 2 282.347 1.765 20 30 CDEDLO CC#CCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000154543690 188148743 /nfs/dbraw/zinc/14/87/43/188148743.db2.gz PFNHZKQTWFUQDK-OAHLLOKOSA-N 1 2 288.416 1.916 20 30 CDEDLO C#CC[C@@H]([NH2+]Cc1nnc(C)n1C)c1ccccc1 ZINC000271716522 191288357 /nfs/dbraw/zinc/28/83/57/191288357.db2.gz PFORUZHIAMJUOM-CQSZACIVSA-N 1 2 254.337 1.978 20 30 CDEDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000365250668 363296835 /nfs/dbraw/zinc/29/68/35/363296835.db2.gz AQXSNOWSFUBMPF-JTQLQIEISA-N 1 2 261.300 1.408 20 30 CDEDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000365250668 363296837 /nfs/dbraw/zinc/29/68/37/363296837.db2.gz AQXSNOWSFUBMPF-JTQLQIEISA-N 1 2 261.300 1.408 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@]12CCOC2=O ZINC000186746482 355982329 /nfs/dbraw/zinc/98/23/29/355982329.db2.gz FJKDJRWBFMAPCE-OAHLLOKOSA-N 1 2 280.368 1.193 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@]12CCOC2=O ZINC000186746482 355982332 /nfs/dbraw/zinc/98/23/32/355982332.db2.gz FJKDJRWBFMAPCE-OAHLLOKOSA-N 1 2 280.368 1.193 20 30 CDEDLO C[C@H](CC(=O)NC[C@H]1CCCN(CC#N)C1)n1cc[nH+]c1 ZINC000583941429 355991995 /nfs/dbraw/zinc/99/19/95/355991995.db2.gz ITQOYSUJPPDVKH-ZIAGYGMSSA-N 1 2 289.383 1.186 20 30 CDEDLO C=CC[C@@H](C)NC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000117077236 356064700 /nfs/dbraw/zinc/06/47/00/356064700.db2.gz GLJDESQKFGPFAM-SECBINFHSA-N 1 2 263.297 1.110 20 30 CDEDLO Cc1cc(C#N)nc(N2CC[NH+](Cc3ccco3)CC2)n1 ZINC000285963270 356190608 /nfs/dbraw/zinc/19/06/08/356190608.db2.gz AQNOTPBVCPEFHF-UHFFFAOYSA-N 1 2 283.335 1.572 20 30 CDEDLO N#Cc1ccc(CNC(=O)CCn2cc[nH+]c2)cc1 ZINC000336819467 356285054 /nfs/dbraw/zinc/28/50/54/356285054.db2.gz ZXDFMGXLTRWTCG-UHFFFAOYSA-N 1 2 254.293 1.461 20 30 CDEDLO C=CCNC(=O)C[N@@H+](CCOC)Cc1ccco1 ZINC000046600976 356777053 /nfs/dbraw/zinc/77/70/53/356777053.db2.gz GXSDUNVXLGVASL-UHFFFAOYSA-N 1 2 252.314 1.030 20 30 CDEDLO C=CCNC(=O)C[N@H+](CCOC)Cc1ccco1 ZINC000046600976 356777055 /nfs/dbraw/zinc/77/70/55/356777055.db2.gz GXSDUNVXLGVASL-UHFFFAOYSA-N 1 2 252.314 1.030 20 30 CDEDLO Cc1c[nH+]ccc1NC(=O)c1ncc(C#N)cc1C ZINC000559643133 356756625 /nfs/dbraw/zinc/75/66/25/356756625.db2.gz YZCQKWSJNMAYOE-UHFFFAOYSA-N 1 2 252.277 1.639 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N(C)Cc1ccccc1C ZINC000298826018 356933255 /nfs/dbraw/zinc/93/32/55/356933255.db2.gz BLAISVIWBOPTSW-INIZCTEOSA-N 1 2 282.387 1.910 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cccc2c1OCO2 ZINC000556711414 357161260 /nfs/dbraw/zinc/16/12/60/357161260.db2.gz ZFQTYLWWNVLXEO-LLVKDONJSA-N 1 2 257.293 1.948 20 30 CDEDLO CC[C@@H](C)[C@@H](C)[NH2+]CCNC(O)=C1N=CC=CC1=O ZINC000180876486 357291588 /nfs/dbraw/zinc/29/15/88/357291588.db2.gz OIDDWFLYPJQKLQ-ICBKXBRDSA-N 1 2 265.357 1.537 20 30 CDEDLO N#CC1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000128440674 357249907 /nfs/dbraw/zinc/24/99/07/357249907.db2.gz UTJQUWOUCXVFIQ-CQSZACIVSA-N 1 2 299.378 1.605 20 30 CDEDLO CC(C)[C@H](NC(=O)c1c[nH]c(C#N)c1)c1[nH]cc[nH+]1 ZINC000283105226 357526103 /nfs/dbraw/zinc/52/61/03/357526103.db2.gz VAVDWWGHTISFEX-NSHDSACASA-N 1 2 257.297 1.737 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000186719586 357678474 /nfs/dbraw/zinc/67/84/74/357678474.db2.gz XJQYSSRSWAJJDU-LBPRGKRZSA-N 1 2 293.392 1.196 20 30 CDEDLO CC(=O)NC[C@@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000187693034 357796477 /nfs/dbraw/zinc/79/64/77/357796477.db2.gz CPCLYGSORJGNTD-MLGOLLRUSA-N 1 2 287.363 1.456 20 30 CDEDLO CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000187693034 357796483 /nfs/dbraw/zinc/79/64/83/357796483.db2.gz CPCLYGSORJGNTD-MLGOLLRUSA-N 1 2 287.363 1.456 20 30 CDEDLO C[C@H]1C[C@H](O)CN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000329543229 291150703 /nfs/dbraw/zinc/15/07/03/291150703.db2.gz YEXHFKQNBDYDME-ONGXEEELSA-N 1 2 260.297 1.335 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000592148831 358587445 /nfs/dbraw/zinc/58/74/45/358587445.db2.gz CQGMLNUERWUGMD-ZDUSSCGKSA-N 1 2 294.742 1.024 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000592148831 358587446 /nfs/dbraw/zinc/58/74/46/358587446.db2.gz CQGMLNUERWUGMD-ZDUSSCGKSA-N 1 2 294.742 1.024 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000592149053 358587546 /nfs/dbraw/zinc/58/75/46/358587546.db2.gz HKQNQIXSRLUJPQ-CQSZACIVSA-N 1 2 295.289 1.254 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000592149053 358587547 /nfs/dbraw/zinc/58/75/47/358587547.db2.gz HKQNQIXSRLUJPQ-CQSZACIVSA-N 1 2 295.289 1.254 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1CCC(C)(C)C#N ZINC000345705001 358871076 /nfs/dbraw/zinc/87/10/76/358871076.db2.gz DXOVSLVPQYVWCJ-MNOVXSKESA-N 1 2 254.330 1.189 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1CCC(C)(C)C#N ZINC000345705001 358871078 /nfs/dbraw/zinc/87/10/78/358871078.db2.gz DXOVSLVPQYVWCJ-MNOVXSKESA-N 1 2 254.330 1.189 20 30 CDEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CC1 ZINC000290426672 366508693 /nfs/dbraw/zinc/50/86/93/366508693.db2.gz UWPWOXWFPFQPGC-UHFFFAOYSA-N 1 2 279.365 1.211 20 30 CDEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CC1 ZINC000290426672 366508700 /nfs/dbraw/zinc/50/87/00/366508700.db2.gz UWPWOXWFPFQPGC-UHFFFAOYSA-N 1 2 279.365 1.211 20 30 CDEDLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(C#N)s1 ZINC000355156560 359031326 /nfs/dbraw/zinc/03/13/26/359031326.db2.gz AMDPSLBMYBGXAZ-UWVGGRQHSA-N 1 2 252.339 1.201 20 30 CDEDLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(C#N)s1 ZINC000355156560 359031328 /nfs/dbraw/zinc/03/13/28/359031328.db2.gz AMDPSLBMYBGXAZ-UWVGGRQHSA-N 1 2 252.339 1.201 20 30 CDEDLO C[C@@]1([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCOC1=O ZINC000291708553 359083307 /nfs/dbraw/zinc/08/33/07/359083307.db2.gz ILSXABQDWQRMJB-QGZVFWFLSA-N 1 2 299.374 1.822 20 30 CDEDLO C=C1CC[NH+](Cc2csc(CC(=O)N(C)C)n2)CC1 ZINC000264895252 359314720 /nfs/dbraw/zinc/31/47/20/359314720.db2.gz WYDPDYAFSVEMEY-UHFFFAOYSA-N 1 2 279.409 1.926 20 30 CDEDLO CC[C@@H](O)C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000339057261 359283201 /nfs/dbraw/zinc/28/32/01/359283201.db2.gz DFQKNMLOJXIOPI-HUUCEWRRSA-N 1 2 260.337 1.702 20 30 CDEDLO CC[C@@H](O)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000339057261 359283204 /nfs/dbraw/zinc/28/32/04/359283204.db2.gz DFQKNMLOJXIOPI-HUUCEWRRSA-N 1 2 260.337 1.702 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000268165575 359358868 /nfs/dbraw/zinc/35/88/68/359358868.db2.gz OTIVHRSBEZBLHI-UHFFFAOYSA-N 1 2 293.411 1.035 20 30 CDEDLO C=CCCCC(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000267237418 359350099 /nfs/dbraw/zinc/35/00/99/359350099.db2.gz XCNHIYPBCSJWTG-UHFFFAOYSA-N 1 2 281.400 1.013 20 30 CDEDLO C=CCCCC(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000267237418 359350104 /nfs/dbraw/zinc/35/01/04/359350104.db2.gz XCNHIYPBCSJWTG-UHFFFAOYSA-N 1 2 281.400 1.013 20 30 CDEDLO C=CCCCCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000274592979 359509320 /nfs/dbraw/zinc/50/93/20/359509320.db2.gz IRBGYPKGVYJULG-UHFFFAOYSA-N 1 2 250.346 1.918 20 30 CDEDLO C=C1CC[NH+](Cc2cn(C)nc2C(=O)OCC)CC1 ZINC000274615139 359512131 /nfs/dbraw/zinc/51/21/31/359512131.db2.gz VHWCODDMVKODRW-UHFFFAOYSA-N 1 2 263.341 1.749 20 30 CDEDLO C#CCN(C(=O)NCCc1cn2ccccc2[nH+]1)C1CC1 ZINC000274190983 359492663 /nfs/dbraw/zinc/49/26/63/359492663.db2.gz ZMYLWEYXZYLPQG-UHFFFAOYSA-N 1 2 282.347 1.684 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277270446 359559839 /nfs/dbraw/zinc/55/98/39/359559839.db2.gz RPSRJEWCGJCVLR-ORAYPTAESA-N 1 2 284.425 1.030 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277270446 359559842 /nfs/dbraw/zinc/55/98/42/359559842.db2.gz RPSRJEWCGJCVLR-ORAYPTAESA-N 1 2 284.425 1.030 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cnc(N(C)C)nc2)n1 ZINC000279362795 359585341 /nfs/dbraw/zinc/58/53/41/359585341.db2.gz HQZZYWBWXDTNJG-UHFFFAOYSA-N 1 2 298.394 1.394 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2cnc(N(C)C)nc2)n1 ZINC000279362795 359585345 /nfs/dbraw/zinc/58/53/45/359585345.db2.gz HQZZYWBWXDTNJG-UHFFFAOYSA-N 1 2 298.394 1.394 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccn2C)n1 ZINC000279440909 359586423 /nfs/dbraw/zinc/58/64/23/359586423.db2.gz RJVYBVJJGHHARC-UHFFFAOYSA-N 1 2 256.353 1.877 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccn2C)n1 ZINC000279440909 359586425 /nfs/dbraw/zinc/58/64/25/359586425.db2.gz RJVYBVJJGHHARC-UHFFFAOYSA-N 1 2 256.353 1.877 20 30 CDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@](C)(O)C2)c(C#N)c1C ZINC000408348107 359674570 /nfs/dbraw/zinc/67/45/70/359674570.db2.gz ZBMNGHIFPFFSKG-BONVTDFDSA-N 1 2 291.351 1.552 20 30 CDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@](C)(O)C2)c(C#N)c1C ZINC000408348107 359674575 /nfs/dbraw/zinc/67/45/75/359674575.db2.gz ZBMNGHIFPFFSKG-BONVTDFDSA-N 1 2 291.351 1.552 20 30 CDEDLO N#Cc1ccc2c(c1)N(C(=O)CCn1cc[nH+]c1)CC2 ZINC000270175101 359915839 /nfs/dbraw/zinc/91/58/39/359915839.db2.gz FMPSXZBCHRTGEH-UHFFFAOYSA-N 1 2 266.304 1.734 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(F)cc2C#N)C1=O ZINC000337200296 360020667 /nfs/dbraw/zinc/02/06/67/360020667.db2.gz BPJAOPFEUQHARP-HNNXBMFYSA-N 1 2 287.338 1.916 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2C#N)C1=O ZINC000337200296 360020673 /nfs/dbraw/zinc/02/06/73/360020673.db2.gz BPJAOPFEUQHARP-HNNXBMFYSA-N 1 2 287.338 1.916 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(OC)ccn2)C1=O ZINC000337235382 360049370 /nfs/dbraw/zinc/04/93/70/360049370.db2.gz XOTHTZUODHOLHT-AWEZNQCLSA-N 1 2 275.352 1.309 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(OC)ccn2)C1=O ZINC000337235382 360049378 /nfs/dbraw/zinc/04/93/78/360049378.db2.gz XOTHTZUODHOLHT-AWEZNQCLSA-N 1 2 275.352 1.309 20 30 CDEDLO C=CCN1CC[C@H](N(C)Cc2cc(OC)cc[nH+]2)C1=O ZINC000337235382 360049385 /nfs/dbraw/zinc/04/93/85/360049385.db2.gz XOTHTZUODHOLHT-AWEZNQCLSA-N 1 2 275.352 1.309 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCN1CCCC(C)(C)[C@H]1C#N ZINC000337208217 360039769 /nfs/dbraw/zinc/03/97/69/360039769.db2.gz QCNIYTWJLNSLCW-UONOGXRCSA-N 1 2 265.401 1.721 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCN1CCCC(C)(C)[C@H]1C#N ZINC000337208217 360039770 /nfs/dbraw/zinc/03/97/70/360039770.db2.gz QCNIYTWJLNSLCW-UONOGXRCSA-N 1 2 265.401 1.721 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCN1CCCC(C)(C)[C@H]1C#N ZINC000337208218 360039961 /nfs/dbraw/zinc/03/99/61/360039961.db2.gz QCNIYTWJLNSLCW-ZIAGYGMSSA-N 1 2 265.401 1.721 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCN1CCCC(C)(C)[C@H]1C#N ZINC000337208218 360039964 /nfs/dbraw/zinc/03/99/64/360039964.db2.gz QCNIYTWJLNSLCW-ZIAGYGMSSA-N 1 2 265.401 1.721 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000424656632 360330655 /nfs/dbraw/zinc/33/06/55/360330655.db2.gz YLRNFASLQIDODZ-CHWSQXEVSA-N 1 2 268.401 1.814 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cccc(OC)c2F)nn1 ZINC000643794748 360318938 /nfs/dbraw/zinc/31/89/38/360318938.db2.gz VQGZROPYIKSWDW-UHFFFAOYSA-N 1 2 276.315 1.902 20 30 CDEDLO C#CCOCCC(=O)N[C@@H]1CCC[N@@H+](CC(=C)Cl)C1 ZINC001660822000 1172282930 /nfs/dbraw/zinc/28/29/30/1172282930.db2.gz AKMLMOCKNGUICD-CYBMUJFWSA-N 1 2 284.787 1.359 20 30 CDEDLO C#CCOCCC(=O)N[C@@H]1CCC[N@H+](CC(=C)Cl)C1 ZINC001660822000 1172282933 /nfs/dbraw/zinc/28/29/33/1172282933.db2.gz AKMLMOCKNGUICD-CYBMUJFWSA-N 1 2 284.787 1.359 20 30 CDEDLO N#Cc1ccc(NCc2ccc(N3CCOCC3)[nH+]c2)cn1 ZINC000267436003 360799676 /nfs/dbraw/zinc/79/96/76/360799676.db2.gz XVMPHXYWEDZVRC-UHFFFAOYSA-N 1 2 295.346 1.797 20 30 CDEDLO CCn1nccc1C[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000429707892 360870709 /nfs/dbraw/zinc/87/07/09/360870709.db2.gz KASYLANKQMKFTI-HNNXBMFYSA-N 1 2 291.399 1.389 20 30 CDEDLO CCn1nccc1C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000429707892 360870711 /nfs/dbraw/zinc/87/07/11/360870711.db2.gz KASYLANKQMKFTI-HNNXBMFYSA-N 1 2 291.399 1.389 20 30 CDEDLO CC(C)CO[C@@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000563219988 360896966 /nfs/dbraw/zinc/89/69/66/360896966.db2.gz CZKBWFFLZNLMHJ-WCQYABFASA-N 1 2 255.362 1.008 20 30 CDEDLO C[N@H+](CC(=O)NCC#N)Cc1ccc(F)c(Cl)c1 ZINC000433237379 361222391 /nfs/dbraw/zinc/22/23/91/361222391.db2.gz WIKMTKLPALGQKL-UHFFFAOYSA-N 1 2 269.707 1.551 20 30 CDEDLO C[N@@H+](CC(=O)NCC#N)Cc1ccc(F)c(Cl)c1 ZINC000433237379 361222397 /nfs/dbraw/zinc/22/23/97/361222397.db2.gz WIKMTKLPALGQKL-UHFFFAOYSA-N 1 2 269.707 1.551 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@H+](CCO)CCCO)c1C ZINC000267281226 363785984 /nfs/dbraw/zinc/78/59/84/363785984.db2.gz HWNDENFQZIYJNL-UHFFFAOYSA-N 1 2 294.395 1.150 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](CCO)CCCO)c1C ZINC000267281226 363785988 /nfs/dbraw/zinc/78/59/88/363785988.db2.gz HWNDENFQZIYJNL-UHFFFAOYSA-N 1 2 294.395 1.150 20 30 CDEDLO N#CCSCC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000042041719 361436190 /nfs/dbraw/zinc/43/61/90/361436190.db2.gz ZWBANCJCNFQUIL-UHFFFAOYSA-N 1 2 290.392 1.555 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccn2)CCC1 ZINC000526135031 363807889 /nfs/dbraw/zinc/80/78/89/363807889.db2.gz XLEOEZJJJFEZFJ-CQSZACIVSA-N 1 2 284.363 1.781 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccn2)CCC1 ZINC000526135031 363807891 /nfs/dbraw/zinc/80/78/91/363807891.db2.gz XLEOEZJJJFEZFJ-CQSZACIVSA-N 1 2 284.363 1.781 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3ccccn3)CC2)nc1 ZINC000580269695 363897355 /nfs/dbraw/zinc/89/73/55/363897355.db2.gz PUKKJQNFKKDFDA-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO O=C(NCC#Cc1ccccc1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000570744374 363930990 /nfs/dbraw/zinc/93/09/90/363930990.db2.gz DJSHELLHOOXJGM-CQSZACIVSA-N 1 2 279.343 1.998 20 30 CDEDLO O=C(NCC#Cc1ccccc1)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000570744374 363930994 /nfs/dbraw/zinc/93/09/94/363930994.db2.gz DJSHELLHOOXJGM-CQSZACIVSA-N 1 2 279.343 1.998 20 30 CDEDLO C[N@@H+]1CCc2nc(NC(=O)c3c[nH]c(C#N)c3)sc2C1 ZINC000272203512 367314938 /nfs/dbraw/zinc/31/49/38/367314938.db2.gz OYXIXDKVNSCNNS-UHFFFAOYSA-N 1 2 287.348 1.583 20 30 CDEDLO C[N@H+]1CCc2nc(NC(=O)c3c[nH]c(C#N)c3)sc2C1 ZINC000272203512 367314947 /nfs/dbraw/zinc/31/49/47/367314947.db2.gz OYXIXDKVNSCNNS-UHFFFAOYSA-N 1 2 287.348 1.583 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000272204651 367315386 /nfs/dbraw/zinc/31/53/86/367315386.db2.gz BZRMYDSHIAISHA-BETUJISGSA-N 1 2 287.363 1.284 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000272204651 367315393 /nfs/dbraw/zinc/31/53/93/367315393.db2.gz BZRMYDSHIAISHA-BETUJISGSA-N 1 2 287.363 1.284 20 30 CDEDLO N#CCCCC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000360614262 368392075 /nfs/dbraw/zinc/39/20/75/368392075.db2.gz XBQLOAJUIZGNDF-UHFFFAOYSA-N 1 2 269.308 1.959 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000539791128 368472856 /nfs/dbraw/zinc/47/28/56/368472856.db2.gz BNRXEQIVWUJTRZ-CQSZACIVSA-N 1 2 268.401 1.768 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000539791128 368472860 /nfs/dbraw/zinc/47/28/60/368472860.db2.gz BNRXEQIVWUJTRZ-CQSZACIVSA-N 1 2 268.401 1.768 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000129554395 368635282 /nfs/dbraw/zinc/63/52/82/368635282.db2.gz DEWFJWAJJQYCJI-LLVKDONJSA-N 1 2 256.309 1.428 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000129554395 368635284 /nfs/dbraw/zinc/63/52/84/368635284.db2.gz DEWFJWAJJQYCJI-LLVKDONJSA-N 1 2 256.309 1.428 20 30 CDEDLO C=CCC[C@@H]1NC(=O)N(Cc2ccn3cc[nH+]c3c2)C1=O ZINC000567223371 370919900 /nfs/dbraw/zinc/91/99/00/370919900.db2.gz UIIKRPLPXSVHOT-LBPRGKRZSA-N 1 2 284.319 1.721 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC(CC#N)CC1 ZINC000543778053 368976164 /nfs/dbraw/zinc/97/61/64/368976164.db2.gz RUWRHUIFAJFSDI-GFCCVEGCSA-N 1 2 275.356 1.607 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1Cc2ccc(C)cc2C1 ZINC000361604417 368932049 /nfs/dbraw/zinc/93/20/49/368932049.db2.gz SZXVYAWHTNBGBW-LBPRGKRZSA-N 1 2 287.363 1.711 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1Cc2ccc(C)cc2C1 ZINC000361604417 368932051 /nfs/dbraw/zinc/93/20/51/368932051.db2.gz SZXVYAWHTNBGBW-LBPRGKRZSA-N 1 2 287.363 1.711 20 30 CDEDLO CC#CCCNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000361648846 368961873 /nfs/dbraw/zinc/96/18/73/368961873.db2.gz UZOJSPDMDLDPRW-UHFFFAOYSA-N 1 2 286.379 1.322 20 30 CDEDLO COCCN(CCC#N)Cc1[nH+]ccc(OC)c1OC ZINC000232195766 369074666 /nfs/dbraw/zinc/07/46/66/369074666.db2.gz CGTBSWRIDJJBMF-UHFFFAOYSA-N 1 2 279.340 1.461 20 30 CDEDLO N#Cc1cccnc1N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000160413321 369143501 /nfs/dbraw/zinc/14/35/01/369143501.db2.gz PETZSFQMGJQKQD-CQSZACIVSA-N 1 2 272.352 1.254 20 30 CDEDLO Cn1ccc2cccc(NC[C@@H](O)C[N@H+](C)CCC#N)c21 ZINC000564723527 370246438 /nfs/dbraw/zinc/24/64/38/370246438.db2.gz IBMDYPDAUZSDNL-CQSZACIVSA-N 1 2 286.379 1.797 20 30 CDEDLO Cn1ccc2cccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c21 ZINC000564723527 370246443 /nfs/dbraw/zinc/24/64/43/370246443.db2.gz IBMDYPDAUZSDNL-CQSZACIVSA-N 1 2 286.379 1.797 20 30 CDEDLO COc1cccc(N2C[C@H]([NH2+]CCC#N)CC2=O)c1 ZINC000569097897 371236683 /nfs/dbraw/zinc/23/66/83/371236683.db2.gz GIDCDYDQYYSQFB-LLVKDONJSA-N 1 2 259.309 1.304 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc2c(c1)CCC2 ZINC000573376675 371521111 /nfs/dbraw/zinc/52/11/11/371521111.db2.gz XVPGBHGGHMMYMF-MRXNPFEDSA-N 1 2 271.364 1.749 20 30 CDEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC1(C#N)CCC1 ZINC000573773473 371652071 /nfs/dbraw/zinc/65/20/71/371652071.db2.gz RKNBFQQTPQUMTO-XQQFMLRXSA-N 1 2 262.353 1.954 20 30 CDEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC1(C#N)CCC1 ZINC000573773473 371652083 /nfs/dbraw/zinc/65/20/83/371652083.db2.gz RKNBFQQTPQUMTO-XQQFMLRXSA-N 1 2 262.353 1.954 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CCCSC1 ZINC000577956365 372192158 /nfs/dbraw/zinc/19/21/58/372192158.db2.gz ZIZDBQUNLVYPMV-CMPLNLGQSA-N 1 2 255.387 1.090 20 30 CDEDLO C[C@H](Cc1cccc(F)c1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000578135756 372307582 /nfs/dbraw/zinc/30/75/82/372307582.db2.gz PPCVPEKOTNDKQC-WBMJQRKESA-N 1 2 291.370 1.964 20 30 CDEDLO C=CCOCCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000173051958 372449744 /nfs/dbraw/zinc/44/97/44/372449744.db2.gz SKXXIVFXLRYZOQ-UHFFFAOYSA-N 1 2 289.379 1.713 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC)C[C@@H](C)C#N ZINC000064249147 373460248 /nfs/dbraw/zinc/46/02/48/373460248.db2.gz JCLIYWVERUQQJF-STQMWFEESA-N 1 2 264.373 1.476 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC)C[C@@H](C)C#N ZINC000064249147 373460252 /nfs/dbraw/zinc/46/02/52/373460252.db2.gz JCLIYWVERUQQJF-STQMWFEESA-N 1 2 264.373 1.476 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000296736403 373823335 /nfs/dbraw/zinc/82/33/35/373823335.db2.gz OFCNJYMSIAATKL-CYBMUJFWSA-N 1 2 291.326 1.970 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000296736403 373823340 /nfs/dbraw/zinc/82/33/40/373823340.db2.gz OFCNJYMSIAATKL-CYBMUJFWSA-N 1 2 291.326 1.970 20 30 CDEDLO N#Cc1nccnc1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000301165298 373869965 /nfs/dbraw/zinc/86/99/65/373869965.db2.gz IIMDXNDNPPHXNR-UHFFFAOYSA-N 1 2 277.291 1.541 20 30 CDEDLO C=CCCC1(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000341750117 373945320 /nfs/dbraw/zinc/94/53/20/373945320.db2.gz KVDUQWHQCXWOOX-UONOGXRCSA-N 1 2 278.396 1.664 20 30 CDEDLO C=CCCC1(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000341750117 373945324 /nfs/dbraw/zinc/94/53/24/373945324.db2.gz KVDUQWHQCXWOOX-UONOGXRCSA-N 1 2 278.396 1.664 20 30 CDEDLO N#Cc1cc(NCc2cc[nH+]c(N3CCOCC3)c2)ccn1 ZINC000299678658 373921752 /nfs/dbraw/zinc/92/17/52/373921752.db2.gz QTSHATPTQDLAPN-UHFFFAOYSA-N 1 2 295.346 1.797 20 30 CDEDLO Cn1cc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)cc1C#N ZINC000368040501 374152236 /nfs/dbraw/zinc/15/22/36/374152236.db2.gz JAPLBMLYYRFKGM-CABCVRRESA-N 1 2 275.352 1.277 20 30 CDEDLO Cn1cc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)cc1C#N ZINC000368040501 374152245 /nfs/dbraw/zinc/15/22/45/374152245.db2.gz JAPLBMLYYRFKGM-CABCVRRESA-N 1 2 275.352 1.277 20 30 CDEDLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000104063712 374174127 /nfs/dbraw/zinc/17/41/27/374174127.db2.gz DFGLGRLLHPWTNA-AWEZNQCLSA-N 1 2 257.337 1.515 20 30 CDEDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000104063712 374174135 /nfs/dbraw/zinc/17/41/35/374174135.db2.gz DFGLGRLLHPWTNA-AWEZNQCLSA-N 1 2 257.337 1.515 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCc2nn[nH]c2C1 ZINC000351633269 374256765 /nfs/dbraw/zinc/25/67/65/374256765.db2.gz MXPMHXRGOQCOEP-UHFFFAOYSA-N 1 2 299.334 1.122 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCc2nn[nH]c2C1 ZINC000351633269 374256772 /nfs/dbraw/zinc/25/67/72/374256772.db2.gz MXPMHXRGOQCOEP-UHFFFAOYSA-N 1 2 299.334 1.122 20 30 CDEDLO C[C@@H]1COCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000371103054 374409226 /nfs/dbraw/zinc/40/92/26/374409226.db2.gz ZPFPNOBEZCQIDB-JTQLQIEISA-N 1 2 279.365 1.527 20 30 CDEDLO C[C@@H]1COCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000371103054 374409233 /nfs/dbraw/zinc/40/92/33/374409233.db2.gz ZPFPNOBEZCQIDB-JTQLQIEISA-N 1 2 279.365 1.527 20 30 CDEDLO C#CCOCCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000125278133 374913539 /nfs/dbraw/zinc/91/35/39/374913539.db2.gz PHJJKOGCIOVTFH-LBPRGKRZSA-N 1 2 261.325 1.503 20 30 CDEDLO CN(C)[C@H](C(=O)Nc1cccc(C#N)c1)c1c[nH+]cn1C ZINC000280811226 375024309 /nfs/dbraw/zinc/02/43/09/375024309.db2.gz RFVNLZYFGIEEIN-AWEZNQCLSA-N 1 2 283.335 1.533 20 30 CDEDLO COc1cc(C[N@@H+]2CCC[C@]23CCOC3=O)ccc1C#N ZINC000282133545 375067942 /nfs/dbraw/zinc/06/79/42/375067942.db2.gz BNORVGGAYLOUNT-MRXNPFEDSA-N 1 2 286.331 1.848 20 30 CDEDLO COc1cc(C[N@H+]2CCC[C@]23CCOC3=O)ccc1C#N ZINC000282133545 375067953 /nfs/dbraw/zinc/06/79/53/375067953.db2.gz BNORVGGAYLOUNT-MRXNPFEDSA-N 1 2 286.331 1.848 20 30 CDEDLO CN(CC(=O)Nc1sccc1C#N)Cc1[nH+]ccn1C ZINC000162028271 375258406 /nfs/dbraw/zinc/25/84/06/375258406.db2.gz KIWOLZWKVGWADM-UHFFFAOYSA-N 1 2 289.364 1.424 20 30 CDEDLO N#Cc1cnc(C(=O)NCCCn2cc[nH+]c2)c(Cl)c1 ZINC000427899241 247211853 /nfs/dbraw/zinc/21/18/53/247211853.db2.gz DDPYFEFTUPLNKM-UHFFFAOYSA-N 1 2 289.726 1.623 20 30 CDEDLO CN(C)c1ccc(CNC(=O)C2(C#N)CCCC2)c[nH+]1 ZINC000046387239 375795696 /nfs/dbraw/zinc/79/56/96/375795696.db2.gz OCXJNONWLAJMJB-UHFFFAOYSA-N 1 2 272.352 1.848 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1csnn1)CCC2 ZINC000328820902 375965381 /nfs/dbraw/zinc/96/53/81/375965381.db2.gz OUXSDUKLVSGQEK-SECBINFHSA-N 1 2 277.353 1.925 20 30 CDEDLO CCc1noc(C)c1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000328747851 375942556 /nfs/dbraw/zinc/94/25/56/375942556.db2.gz BFCVJOZSZDIREU-SNVBAGLBSA-N 1 2 253.302 1.464 20 30 CDEDLO CCc1noc(C)c1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000328747851 375942560 /nfs/dbraw/zinc/94/25/60/375942560.db2.gz BFCVJOZSZDIREU-SNVBAGLBSA-N 1 2 253.302 1.464 20 30 CDEDLO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](c3nc(C)no3)C2)on1 ZINC000328942099 376015234 /nfs/dbraw/zinc/01/52/34/376015234.db2.gz AAHPWRQCOFRHJH-SNVBAGLBSA-N 1 2 291.311 1.752 20 30 CDEDLO Cc1cc(NC(=O)C[N@H+]2CC[C@@H](c3nc(C)no3)C2)on1 ZINC000328942099 376015242 /nfs/dbraw/zinc/01/52/42/376015242.db2.gz AAHPWRQCOFRHJH-SNVBAGLBSA-N 1 2 291.311 1.752 20 30 CDEDLO Cc1noc([C@H](C)NC(=O)[C@@H](C)[NH+]2CCSCC2)n1 ZINC000328951352 376019555 /nfs/dbraw/zinc/01/95/55/376019555.db2.gz LPUDFPYYXVEPSU-DTWKUNHWSA-N 1 2 284.385 1.833 20 30 CDEDLO C=CCC[C@H]1NC(=O)N(Cc2c[nH+]ccc2OC)C1=O ZINC000419939017 376178409 /nfs/dbraw/zinc/17/84/09/376178409.db2.gz IULZGEMTLAYFJG-LLVKDONJSA-N 1 2 275.308 1.477 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000172075423 377244152 /nfs/dbraw/zinc/24/41/52/377244152.db2.gz UUXKEGOEGGBAMG-LBPRGKRZSA-N 1 2 292.404 1.956 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000172075423 377244158 /nfs/dbraw/zinc/24/41/58/377244158.db2.gz UUXKEGOEGGBAMG-LBPRGKRZSA-N 1 2 292.404 1.956 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCOC[C@@H]1CC(C)C ZINC000072978785 377206235 /nfs/dbraw/zinc/20/62/35/377206235.db2.gz LMUQZAJOITXBCT-HNNXBMFYSA-N 1 2 280.412 1.934 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000072978785 377206241 /nfs/dbraw/zinc/20/62/41/377206241.db2.gz LMUQZAJOITXBCT-HNNXBMFYSA-N 1 2 280.412 1.934 20 30 CDEDLO CC#CC[C@H](CO)Nc1ccc2cc(OC)ccc2[nH+]1 ZINC000645405022 378152560 /nfs/dbraw/zinc/15/25/60/378152560.db2.gz WPDQEFQPQHXPCW-CYBMUJFWSA-N 1 2 270.332 1.852 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC)CC1 ZINC000283428195 378109018 /nfs/dbraw/zinc/10/90/18/378109018.db2.gz IZWLWEZUTSDRQG-UHFFFAOYSA-N 1 2 289.427 1.642 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000192239061 378176438 /nfs/dbraw/zinc/17/64/38/378176438.db2.gz SYAPDHTTXZCWNM-LLVKDONJSA-N 1 2 276.336 1.596 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000192239061 378176440 /nfs/dbraw/zinc/17/64/40/378176440.db2.gz SYAPDHTTXZCWNM-LLVKDONJSA-N 1 2 276.336 1.596 20 30 CDEDLO C#CCN(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000292175286 378479814 /nfs/dbraw/zinc/47/98/14/378479814.db2.gz BGPHMAQNWSFGHO-UHFFFAOYSA-N 1 2 286.379 1.847 20 30 CDEDLO C=CCOCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC000293487349 378577958 /nfs/dbraw/zinc/57/79/58/378577958.db2.gz MUFLWMBEGFNRAJ-HNNXBMFYSA-N 1 2 275.348 1.789 20 30 CDEDLO C=CCOCC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC000293487349 378577967 /nfs/dbraw/zinc/57/79/67/378577967.db2.gz MUFLWMBEGFNRAJ-HNNXBMFYSA-N 1 2 275.348 1.789 20 30 CDEDLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NCC#N)s1 ZINC000066539723 378670852 /nfs/dbraw/zinc/67/08/52/378670852.db2.gz JEXCDEBTHHXFSF-VIFPVBQESA-N 1 2 266.370 1.393 20 30 CDEDLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NCC#N)s1 ZINC000066539723 378670859 /nfs/dbraw/zinc/67/08/59/378670859.db2.gz JEXCDEBTHHXFSF-VIFPVBQESA-N 1 2 266.370 1.393 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000296471694 378721521 /nfs/dbraw/zinc/72/15/21/378721521.db2.gz KACGAQPZCLPDHM-LBPRGKRZSA-N 1 2 259.353 1.989 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccns2)C1=O ZINC000639132094 378768479 /nfs/dbraw/zinc/76/84/79/378768479.db2.gz DYAOAMJACFBMCA-LLVKDONJSA-N 1 2 251.355 1.362 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccns2)C1=O ZINC000639132094 378768480 /nfs/dbraw/zinc/76/84/80/378768480.db2.gz DYAOAMJACFBMCA-LLVKDONJSA-N 1 2 251.355 1.362 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343557004 378908220 /nfs/dbraw/zinc/90/82/20/378908220.db2.gz RTDIIBUJDVDLLW-NWDGAFQWSA-N 1 2 293.323 1.426 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343557004 378908225 /nfs/dbraw/zinc/90/82/25/378908225.db2.gz RTDIIBUJDVDLLW-NWDGAFQWSA-N 1 2 293.323 1.426 20 30 CDEDLO C=CCOc1cc(OC)ccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000343907021 379014958 /nfs/dbraw/zinc/01/49/58/379014958.db2.gz LATVLHVXDSTARM-UHFFFAOYSA-N 1 2 287.319 1.913 20 30 CDEDLO C=CCOc1cc(OC)ccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000343907021 379014967 /nfs/dbraw/zinc/01/49/67/379014967.db2.gz LATVLHVXDSTARM-UHFFFAOYSA-N 1 2 287.319 1.913 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000278726102 194123332 /nfs/dbraw/zinc/12/33/32/194123332.db2.gz QTLRKICEAIYEMS-UKRRQHHQSA-N 1 2 289.379 1.817 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000278979352 194239120 /nfs/dbraw/zinc/23/91/20/194239120.db2.gz YHEWZYFNYWCMSP-HNNXBMFYSA-N 1 2 273.336 1.586 20 30 CDEDLO C=CCCOCC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000143659094 379524889 /nfs/dbraw/zinc/52/48/89/379524889.db2.gz ZBSJYMROGMMUOR-UHFFFAOYSA-N 1 2 289.379 1.319 20 30 CDEDLO C=CCNC(=O)C[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000279179258 194319528 /nfs/dbraw/zinc/31/95/28/194319528.db2.gz RPMKLPPWXHNLCP-UHFFFAOYSA-N 1 2 267.398 1.832 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000346246676 285003515 /nfs/dbraw/zinc/00/35/15/285003515.db2.gz DSNYSTKYFGRTJU-RYUDHWBXSA-N 1 2 262.357 1.419 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000346246676 285003516 /nfs/dbraw/zinc/00/35/16/285003516.db2.gz DSNYSTKYFGRTJU-RYUDHWBXSA-N 1 2 262.357 1.419 20 30 CDEDLO COCC[N@H+](Cc1ccc(F)cc1C#N)[C@@H]1CCOC1 ZINC000490045965 253025243 /nfs/dbraw/zinc/02/52/43/253025243.db2.gz PUSJGCXKXGQTRN-OAHLLOKOSA-N 1 2 278.327 1.935 20 30 CDEDLO COCC[N@@H+](Cc1ccc(F)cc1C#N)[C@@H]1CCOC1 ZINC000490045965 253025244 /nfs/dbraw/zinc/02/52/44/253025244.db2.gz PUSJGCXKXGQTRN-OAHLLOKOSA-N 1 2 278.327 1.935 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C\c1ccc(C#N)cc1 ZINC000491318726 253075607 /nfs/dbraw/zinc/07/56/07/253075607.db2.gz GLBXJWOFBOXARJ-FMFIFOJESA-N 1 2 280.331 1.973 20 30 CDEDLO N#Cc1cccc(/C=C/C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000492693034 253274201 /nfs/dbraw/zinc/27/42/01/253274201.db2.gz WQTCKOVEJJPQFU-RGDDUWESSA-N 1 2 292.342 1.899 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000192223205 533110641 /nfs/dbraw/zinc/11/06/41/533110641.db2.gz UISKGYDJJUUSCN-NSHDSACASA-N 1 2 258.321 1.781 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000192223205 533110646 /nfs/dbraw/zinc/11/06/46/533110646.db2.gz UISKGYDJJUUSCN-NSHDSACASA-N 1 2 258.321 1.781 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000192227665 533112848 /nfs/dbraw/zinc/11/28/48/533112848.db2.gz LPWMLICROWEDGH-LLVKDONJSA-N 1 2 276.336 1.596 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000192227665 533112851 /nfs/dbraw/zinc/11/28/51/533112851.db2.gz LPWMLICROWEDGH-LLVKDONJSA-N 1 2 276.336 1.596 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(F)cn2)C1=O ZINC000281449062 195244189 /nfs/dbraw/zinc/24/41/89/195244189.db2.gz UNFXMEHUOWYGNL-ZDUSSCGKSA-N 1 2 263.316 1.439 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(F)cn2)C1=O ZINC000281449062 195244192 /nfs/dbraw/zinc/24/41/92/195244192.db2.gz UNFXMEHUOWYGNL-ZDUSSCGKSA-N 1 2 263.316 1.439 20 30 CDEDLO NC(CCO)=[NH+]OCc1cc(-c2cccs2)on1 ZINC000136068864 390940959 /nfs/dbraw/zinc/94/09/59/390940959.db2.gz KIJBYYNWWMBHSE-UHFFFAOYSA-N 1 2 267.310 1.574 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000648190639 390948283 /nfs/dbraw/zinc/94/82/83/390948283.db2.gz BUFUUGVTGQBAMN-CVEARBPZSA-N 1 2 286.375 1.710 20 30 CDEDLO C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000123493397 390910333 /nfs/dbraw/zinc/91/03/33/390910333.db2.gz WLPBDNJDIOTYKD-CYBMUJFWSA-N 1 2 286.379 1.357 20 30 CDEDLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000123493397 390910335 /nfs/dbraw/zinc/91/03/35/390910335.db2.gz WLPBDNJDIOTYKD-CYBMUJFWSA-N 1 2 286.379 1.357 20 30 CDEDLO O=C(N[C@H]1CCCC[C@@H]1O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329474265 390994000 /nfs/dbraw/zinc/99/40/00/390994000.db2.gz AWYGCNBEPWNDDJ-ZNMIVQPWSA-N 1 2 296.411 1.890 20 30 CDEDLO O=C(N[C@H]1CCCC[C@@H]1O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329474265 390994004 /nfs/dbraw/zinc/99/40/04/390994004.db2.gz AWYGCNBEPWNDDJ-ZNMIVQPWSA-N 1 2 296.411 1.890 20 30 CDEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)NCC3CC3)C2)[nH]1 ZINC000329496091 390998633 /nfs/dbraw/zinc/99/86/33/390998633.db2.gz XFVYLGBPYXTGND-GFCCVEGCSA-N 1 2 277.372 1.659 20 30 CDEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)NCC3CC3)C2)[nH]1 ZINC000329496091 390998635 /nfs/dbraw/zinc/99/86/35/390998635.db2.gz XFVYLGBPYXTGND-GFCCVEGCSA-N 1 2 277.372 1.659 20 30 CDEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)NCC3CC3)C2)n1 ZINC000329496091 390998636 /nfs/dbraw/zinc/99/86/36/390998636.db2.gz XFVYLGBPYXTGND-GFCCVEGCSA-N 1 2 277.372 1.659 20 30 CDEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)NCC3CC3)C2)n1 ZINC000329496091 390998638 /nfs/dbraw/zinc/99/86/38/390998638.db2.gz XFVYLGBPYXTGND-GFCCVEGCSA-N 1 2 277.372 1.659 20 30 CDEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)NCC3CC3)C2)n[nH]1 ZINC000329496091 390998641 /nfs/dbraw/zinc/99/86/41/390998641.db2.gz XFVYLGBPYXTGND-GFCCVEGCSA-N 1 2 277.372 1.659 20 30 CDEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)NCC3CC3)C2)n[nH]1 ZINC000329496091 390998644 /nfs/dbraw/zinc/99/86/44/390998644.db2.gz XFVYLGBPYXTGND-GFCCVEGCSA-N 1 2 277.372 1.659 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000351231707 391059331 /nfs/dbraw/zinc/05/93/31/391059331.db2.gz WJEQEGCXCFVUDF-WCQYABFASA-N 1 2 280.393 1.548 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000351231707 391059335 /nfs/dbraw/zinc/05/93/35/391059335.db2.gz WJEQEGCXCFVUDF-WCQYABFASA-N 1 2 280.393 1.548 20 30 CDEDLO C#C[C@@H](C)NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296991949 391063267 /nfs/dbraw/zinc/06/32/67/391063267.db2.gz UMIUDRIULCQTAJ-GHMZBOCLSA-N 1 2 260.341 1.534 20 30 CDEDLO CCN(CCC#N)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352467444 391149429 /nfs/dbraw/zinc/14/94/29/391149429.db2.gz KMUMADNVKZWZSY-UHFFFAOYSA-N 1 2 266.320 1.076 20 30 CDEDLO N#CC1(F)CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000352447596 391141553 /nfs/dbraw/zinc/14/15/53/391141553.db2.gz BTSRZVDQIUEFPT-UHFFFAOYSA-N 1 2 253.321 1.327 20 30 CDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1[nH+]ccn1C ZINC000264355586 391111360 /nfs/dbraw/zinc/11/13/60/391111360.db2.gz XVWAQMFMRZYYGD-LLVKDONJSA-N 1 2 284.319 1.375 20 30 CDEDLO Cc1cc(N2CCN(CC#N)CC2)nc(C2CC2)[nH+]1 ZINC000265397075 391155403 /nfs/dbraw/zinc/15/54/03/391155403.db2.gz WRHDKPBCZMWZEH-UHFFFAOYSA-N 1 2 257.341 1.308 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@H](COC)c1ccc(CC)o1 ZINC000184776554 129365455 /nfs/dbraw/zinc/36/54/55/129365455.db2.gz IJJAMQINCKZZDS-DGCLKSJQSA-N 1 2 280.368 1.810 20 30 CDEDLO COc1ccc(CC(N)=[NH+]OCc2nnc(C)n2C)cc1 ZINC000183247654 391257811 /nfs/dbraw/zinc/25/78/11/391257811.db2.gz SSJFTUCHIQNIJP-UHFFFAOYSA-N 1 2 289.339 1.164 20 30 CDEDLO COCCOCCO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000183255071 391258086 /nfs/dbraw/zinc/25/80/86/391258086.db2.gz QVLVPPFLAKFYGT-UHFFFAOYSA-N 1 2 286.759 1.834 20 30 CDEDLO OC[C@@]1(F)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000338589922 391215438 /nfs/dbraw/zinc/21/54/38/391215438.db2.gz VHOOHJTVSBUACC-CQSZACIVSA-N 1 2 251.276 1.584 20 30 CDEDLO OC[C@@]1(F)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000338589922 391215440 /nfs/dbraw/zinc/21/54/40/391215440.db2.gz VHOOHJTVSBUACC-CQSZACIVSA-N 1 2 251.276 1.584 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000346283864 391343084 /nfs/dbraw/zinc/34/30/84/391343084.db2.gz SMOCEHOXCOQXJD-HIFRSBDPSA-N 1 2 285.347 1.932 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411276798 391421345 /nfs/dbraw/zinc/42/13/45/391421345.db2.gz MJMSASAZCITTGG-OLZOCXBDSA-N 1 2 280.368 1.459 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCC1(C#N)CCCCC1 ZINC000411276798 391421350 /nfs/dbraw/zinc/42/13/50/391421350.db2.gz MJMSASAZCITTGG-OLZOCXBDSA-N 1 2 280.368 1.459 20 30 CDEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC000330447383 391433897 /nfs/dbraw/zinc/43/38/97/391433897.db2.gz GBSVUMYITAPOMR-BFHYXJOUSA-N 1 2 281.400 1.494 20 30 CDEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC000330447383 391433898 /nfs/dbraw/zinc/43/38/98/391433898.db2.gz GBSVUMYITAPOMR-BFHYXJOUSA-N 1 2 281.400 1.494 20 30 CDEDLO N#CCSCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000330498998 391437151 /nfs/dbraw/zinc/43/71/51/391437151.db2.gz FQSWJDJNKPSQSK-JTQLQIEISA-N 1 2 264.354 1.372 20 30 CDEDLO COCCN1CC[N@H+](CCC2(C#N)CCCCC2)CC1=O ZINC000411426584 391449927 /nfs/dbraw/zinc/44/99/27/391449927.db2.gz HNGPYTOVRVBODD-UHFFFAOYSA-N 1 2 293.411 1.641 20 30 CDEDLO COCCN1CC[N@@H+](CCC2(C#N)CCCCC2)CC1=O ZINC000411426584 391449929 /nfs/dbraw/zinc/44/99/29/391449929.db2.gz HNGPYTOVRVBODD-UHFFFAOYSA-N 1 2 293.411 1.641 20 30 CDEDLO COc1ccc(F)cc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330616347 391459282 /nfs/dbraw/zinc/45/92/82/391459282.db2.gz DQMXPTFQAKDDER-LLVKDONJSA-N 1 2 296.342 1.860 20 30 CDEDLO COc1ccc(F)cc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330616347 391459284 /nfs/dbraw/zinc/45/92/84/391459284.db2.gz DQMXPTFQAKDDER-LLVKDONJSA-N 1 2 296.342 1.860 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000339984810 391533061 /nfs/dbraw/zinc/53/30/61/391533061.db2.gz SJLCSKATVSNEEG-OLZOCXBDSA-N 1 2 268.401 1.814 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090008141 391622002 /nfs/dbraw/zinc/62/20/02/391622002.db2.gz VZOYXAYCLIETLW-TZMCWYRMSA-N 1 2 279.384 1.105 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000090008141 391622005 /nfs/dbraw/zinc/62/20/05/391622005.db2.gz VZOYXAYCLIETLW-TZMCWYRMSA-N 1 2 279.384 1.105 20 30 CDEDLO C=C(C)C[N@@H+](CC)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000114712522 391581215 /nfs/dbraw/zinc/58/12/15/391581215.db2.gz MPQFTSHANMSEMC-UHFFFAOYSA-N 1 2 293.392 1.907 20 30 CDEDLO C=C(C)C[N@H+](CC)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000114712522 391581219 /nfs/dbraw/zinc/58/12/19/391581219.db2.gz MPQFTSHANMSEMC-UHFFFAOYSA-N 1 2 293.392 1.907 20 30 CDEDLO CN(Cc1ccco1)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000061040384 391701709 /nfs/dbraw/zinc/70/17/09/391701709.db2.gz HWNRXOSXCHSLPQ-UHFFFAOYSA-N 1 2 261.325 1.474 20 30 CDEDLO Cc1nc(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)no1 ZINC000329797267 391780890 /nfs/dbraw/zinc/78/08/90/391780890.db2.gz FINUVGLGHSHOKO-SNVBAGLBSA-N 1 2 290.327 1.395 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000192233681 130398227 /nfs/dbraw/zinc/39/82/27/130398227.db2.gz FUHZCESPHXPMCR-UHFFFAOYSA-N 1 2 262.309 1.207 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000192233681 130398234 /nfs/dbraw/zinc/39/82/34/130398234.db2.gz FUHZCESPHXPMCR-UHFFFAOYSA-N 1 2 262.309 1.207 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413964747 391876949 /nfs/dbraw/zinc/87/69/49/391876949.db2.gz FQNVKFVFESVCEB-CYBMUJFWSA-N 1 2 284.400 1.195 20 30 CDEDLO Cc1cc(N2CCN3C(=O)OCC[C@@H]3C2)c(C#N)c[nH+]1 ZINC000496576691 391923612 /nfs/dbraw/zinc/92/36/12/391923612.db2.gz CWLIJUGFFNQNGL-GFCCVEGCSA-N 1 2 272.308 1.293 20 30 CDEDLO C=CC[N@@H+](CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000645827547 392178252 /nfs/dbraw/zinc/17/82/52/392178252.db2.gz MQLOCHZIQYFLSD-OAHLLOKOSA-N 1 2 294.420 1.608 20 30 CDEDLO C=CC[N@H+](CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000645827547 392178257 /nfs/dbraw/zinc/17/82/57/392178257.db2.gz MQLOCHZIQYFLSD-OAHLLOKOSA-N 1 2 294.420 1.608 20 30 CDEDLO N#Cc1ccnc(N2CCn3c[nH+]cc3C2)c1[N+](=O)[O-] ZINC000357547835 392746225 /nfs/dbraw/zinc/74/62/25/392746225.db2.gz MTOVRIWQEVSOLZ-UHFFFAOYSA-N 1 2 270.252 1.078 20 30 CDEDLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cc1F ZINC000523568996 392889193 /nfs/dbraw/zinc/88/91/93/392889193.db2.gz LIXKUONYDVHOFE-SNVBAGLBSA-N 1 2 297.355 1.022 20 30 CDEDLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cc1F ZINC000523568996 392889196 /nfs/dbraw/zinc/88/91/96/392889196.db2.gz LIXKUONYDVHOFE-SNVBAGLBSA-N 1 2 297.355 1.022 20 30 CDEDLO COCCO[C@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425254319 393007219 /nfs/dbraw/zinc/00/72/19/393007219.db2.gz LAULVZDXOUEIGK-ZDUSSCGKSA-N 1 2 261.325 1.503 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1ccc(C#N)cc1 ZINC000132398839 393100992 /nfs/dbraw/zinc/10/09/92/393100992.db2.gz LCDJXLULCMIBCM-UHFFFAOYSA-N 1 2 269.308 1.956 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)c(F)c1 ZINC000494319913 393230586 /nfs/dbraw/zinc/23/05/86/393230586.db2.gz WFRSLYJCNHIJNN-CYBMUJFWSA-N 1 2 289.310 1.724 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)OCC[C@@H]3C2)c(F)c1 ZINC000494319913 393230593 /nfs/dbraw/zinc/23/05/93/393230593.db2.gz WFRSLYJCNHIJNN-CYBMUJFWSA-N 1 2 289.310 1.724 20 30 CDEDLO Cc1cc(C[N@@H+](C)[C@@H](C)CS(C)(=O)=O)ccc1C#N ZINC000487884161 393296597 /nfs/dbraw/zinc/29/65/97/393296597.db2.gz UGORSBVGMCLEJY-LBPRGKRZSA-N 1 2 280.393 1.732 20 30 CDEDLO Cc1cc(C[N@H+](C)[C@@H](C)CS(C)(=O)=O)ccc1C#N ZINC000487884161 393296598 /nfs/dbraw/zinc/29/65/98/393296598.db2.gz UGORSBVGMCLEJY-LBPRGKRZSA-N 1 2 280.393 1.732 20 30 CDEDLO COc1cc[nH+]c(Cn2cnc(C#N)c2C#N)c1OC ZINC000232198985 140220734 /nfs/dbraw/zinc/22/07/34/140220734.db2.gz UHMBUJVZFTYONQ-UHFFFAOYSA-N 1 2 269.264 1.087 20 30 CDEDLO CC[C@H](C)[C@H]([NH2+]Cc1cc(C#N)n(C)c1)C(=O)OC ZINC000232314533 140222162 /nfs/dbraw/zinc/22/21/62/140222162.db2.gz HTBVCTZQWKXKIP-GWCFXTLKSA-N 1 2 263.341 1.574 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(C3CC3)no2)C1=O ZINC000660464754 413147631 /nfs/dbraw/zinc/14/76/31/413147631.db2.gz SRVIBGCHMRLYAX-AWEZNQCLSA-N 1 2 275.352 1.771 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(C3CC3)no2)C1=O ZINC000660464754 413147634 /nfs/dbraw/zinc/14/76/34/413147634.db2.gz SRVIBGCHMRLYAX-AWEZNQCLSA-N 1 2 275.352 1.771 20 30 CDEDLO CC(C)C[C@H](CNC(=O)C1(C#N)CCC1)[NH+]1CCOCC1 ZINC000134541843 397632687 /nfs/dbraw/zinc/63/26/87/397632687.db2.gz BYWUVMHWTPTRFE-CQSZACIVSA-N 1 2 293.411 1.543 20 30 CDEDLO CC(C)(C#N)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343329080 397636726 /nfs/dbraw/zinc/63/67/26/397636726.db2.gz BRTIRGUQIUHTCG-UHFFFAOYSA-N 1 2 269.308 1.815 20 30 CDEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000362050148 397668555 /nfs/dbraw/zinc/66/85/55/397668555.db2.gz MHLMWMHECCCGCV-ZDUSSCGKSA-N 1 2 294.399 1.498 20 30 CDEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000362050148 397668559 /nfs/dbraw/zinc/66/85/59/397668559.db2.gz MHLMWMHECCCGCV-ZDUSSCGKSA-N 1 2 294.399 1.498 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094591781 147093671 /nfs/dbraw/zinc/09/36/71/147093671.db2.gz GHKICOVVOXKRGR-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@@H](NC(=O)c1sccc1C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000104599424 147199088 /nfs/dbraw/zinc/19/90/88/147199088.db2.gz JWOWDIAJCGFRJK-GHMZBOCLSA-N 1 2 293.392 1.459 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccc(C#N)[nH]1)CCC2 ZINC000336159509 151321604 /nfs/dbraw/zinc/32/16/04/151321604.db2.gz WMHCNRIMQQKKMO-NSHDSACASA-N 1 2 283.335 1.699 20 30 CDEDLO N#Cc1ncn(CCNc2[nH+]ccc3ccc(F)cc32)n1 ZINC000343532391 152212905 /nfs/dbraw/zinc/21/29/05/152212905.db2.gz WERGVKDCBIWJKQ-UHFFFAOYSA-N 1 2 282.282 1.949 20 30 CDEDLO N#Cc1ccncc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000345362192 152812265 /nfs/dbraw/zinc/81/22/65/152812265.db2.gz BISHENKSPLSNJK-ZDUSSCGKSA-N 1 2 293.330 1.357 20 30 CDEDLO C[C@H]([NH2+]Cc1nncn1C)c1ccc(C#N)c(F)c1 ZINC000346170468 153081936 /nfs/dbraw/zinc/08/19/36/153081936.db2.gz HWKFKSHWMGMJSS-VIFPVBQESA-N 1 2 259.288 1.677 20 30 CDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCOCC1 ZINC000363152942 159303251 /nfs/dbraw/zinc/30/32/51/159303251.db2.gz GTVFJWPVUAGXAF-UHFFFAOYSA-N 1 2 293.754 1.872 20 30 CDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCOCC1 ZINC000363152942 159303253 /nfs/dbraw/zinc/30/32/53/159303253.db2.gz GTVFJWPVUAGXAF-UHFFFAOYSA-N 1 2 293.754 1.872 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn2c(n1)CCCC2 ZINC001038310095 782018206 /nfs/dbraw/zinc/01/82/06/782018206.db2.gz GDYDGSMGAIVKMK-ZDUSSCGKSA-N 1 2 286.379 1.047 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cn2c(n1)CCCC2 ZINC001038310095 782018212 /nfs/dbraw/zinc/01/82/12/782018212.db2.gz GDYDGSMGAIVKMK-ZDUSSCGKSA-N 1 2 286.379 1.047 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+](C)C2(CO)CC2)c(C#N)c1C ZINC000285597299 196337800 /nfs/dbraw/zinc/33/78/00/196337800.db2.gz VAFNREOVSSNFSI-UHFFFAOYSA-N 1 2 277.324 1.163 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+](C)C2(CO)CC2)c(C#N)c1C ZINC000285597299 196337801 /nfs/dbraw/zinc/33/78/01/196337801.db2.gz VAFNREOVSSNFSI-UHFFFAOYSA-N 1 2 277.324 1.163 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@H](C)c1nc(-c2ccccc2)no1 ZINC000662165421 414545077 /nfs/dbraw/zinc/54/50/77/414545077.db2.gz GHROBQBFKWNSEF-ZYHUDNBSSA-N 1 2 259.309 1.934 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@@H](C)c1nc(-c2ccccc2)no1 ZINC000662165419 414545142 /nfs/dbraw/zinc/54/51/42/414545142.db2.gz GHROBQBFKWNSEF-CMPLNLGQSA-N 1 2 259.309 1.934 20 30 CDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cccc(F)c1 ZINC000078670575 177368634 /nfs/dbraw/zinc/36/86/34/177368634.db2.gz CPCLYKUFNNTPEJ-UHFFFAOYSA-N 1 2 267.304 1.529 20 30 CDEDLO Cc1ccccc1CNC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352490908 227000022 /nfs/dbraw/zinc/00/00/22/227000022.db2.gz MROBWWISZZDFPM-UHFFFAOYSA-N 1 2 289.354 1.939 20 30 CDEDLO CC[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)c1[nH]cc[nH+]1 ZINC000329585922 287442560 /nfs/dbraw/zinc/44/25/60/287442560.db2.gz RJFUQFRIZNRNAV-FIQHERPVSA-N 1 2 279.340 1.869 20 30 CDEDLO CO[C@@H]1CCCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000329114392 227306565 /nfs/dbraw/zinc/30/65/65/227306565.db2.gz SGSLHCGTVYFJLI-CHWSQXEVSA-N 1 2 292.383 1.785 20 30 CDEDLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330006580 228014634 /nfs/dbraw/zinc/01/46/34/228014634.db2.gz CXLUYVWRUGTQKT-WYUUTHIRSA-N 1 2 276.340 1.148 20 30 CDEDLO Cc1cccc2[nH+]c(CNC(=O)NCC(C)(C)C#N)cn21 ZINC000353106545 228060165 /nfs/dbraw/zinc/06/01/65/228060165.db2.gz CJZLHIDZOGJZKK-UHFFFAOYSA-N 1 2 285.351 1.992 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 ZINC000333792166 228214780 /nfs/dbraw/zinc/21/47/80/228214780.db2.gz WKXZBSUSQLHQGE-YNEHKIRRSA-N 1 2 287.367 1.611 20 30 CDEDLO CCc1nc(CO[NH+]=C(N)Cc2csc(C)n2)no1 ZINC000067098572 260250361 /nfs/dbraw/zinc/25/03/61/260250361.db2.gz IUIOYQCLHFJRLF-UHFFFAOYSA-N 1 2 281.341 1.428 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCCOCC2)CCCCC1 ZINC000363437009 260259246 /nfs/dbraw/zinc/25/92/46/260259246.db2.gz SVKIEDAJHCZRSU-UHFFFAOYSA-N 1 2 265.357 1.051 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCCOCC2)CCCCC1 ZINC000363437009 260259247 /nfs/dbraw/zinc/25/92/47/260259247.db2.gz SVKIEDAJHCZRSU-UHFFFAOYSA-N 1 2 265.357 1.051 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCc2nc(C)no2)cc1 ZINC000074285481 260286940 /nfs/dbraw/zinc/28/69/40/260286940.db2.gz NKTOXJAAGSGZSR-UHFFFAOYSA-N 1 2 262.269 1.224 20 30 CDEDLO Cc1ccc(N2CCC[C@H](O[NH+]=C(N)CCO)C2=O)cc1 ZINC000121381002 260709913 /nfs/dbraw/zinc/70/99/13/260709913.db2.gz BMAUUICNDYFVGG-ZDUSSCGKSA-N 1 2 291.351 1.162 20 30 CDEDLO N#CCC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000153485885 261078950 /nfs/dbraw/zinc/07/89/50/261078950.db2.gz QJDJRCGFWKCNGN-UHFFFAOYSA-N 1 2 277.755 1.898 20 30 CDEDLO CC[C@@H](O[NH+]=C(N)Cc1ccc(Cl)cc1)C(N)=O ZINC000159425101 261186113 /nfs/dbraw/zinc/18/61/13/261186113.db2.gz INXQOMVFYZDHQQ-SNVBAGLBSA-N 1 2 269.732 1.435 20 30 CDEDLO COC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c1ccco1 ZINC000184540276 262022890 /nfs/dbraw/zinc/02/28/90/262022890.db2.gz FDZQVRJQHPRSLI-WFASDCNBSA-N 1 2 293.367 1.611 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H](C#N)C1CCCCC1 ZINC000189213454 262169094 /nfs/dbraw/zinc/16/90/94/262169094.db2.gz JQLTYGDXILDSMR-AWEZNQCLSA-N 1 2 274.368 1.941 20 30 CDEDLO C[C@@H]1C[N@H+](CCN(CCC#N)Cc2ccccn2)CCO1 ZINC000191532591 262192968 /nfs/dbraw/zinc/19/29/68/262192968.db2.gz XBOQAENRCKFOFF-OAHLLOKOSA-N 1 2 288.395 1.518 20 30 CDEDLO C[C@@H]1C[N@@H+](CCN(CCC#N)Cc2ccccn2)CCO1 ZINC000191532591 262192969 /nfs/dbraw/zinc/19/29/69/262192969.db2.gz XBOQAENRCKFOFF-OAHLLOKOSA-N 1 2 288.395 1.518 20 30 CDEDLO CNC(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000267850549 262942412 /nfs/dbraw/zinc/94/24/12/262942412.db2.gz QDCRAWVFTPZWAF-UHFFFAOYSA-N 1 2 288.351 1.046 20 30 CDEDLO COC(=O)c1ccccc1OCC[N@H+](C)C[C@@H](C)C#N ZINC000272782477 263008639 /nfs/dbraw/zinc/00/86/39/263008639.db2.gz HVRWQSBJOSQXIZ-LBPRGKRZSA-N 1 2 276.336 1.943 20 30 CDEDLO COC(=O)c1ccccc1OCC[N@@H+](C)C[C@@H](C)C#N ZINC000272782477 263008640 /nfs/dbraw/zinc/00/86/40/263008640.db2.gz HVRWQSBJOSQXIZ-LBPRGKRZSA-N 1 2 276.336 1.943 20 30 CDEDLO N#CCCCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000273158158 263013421 /nfs/dbraw/zinc/01/34/21/263013421.db2.gz NCAWVPUNPDJJGM-UHFFFAOYSA-N 1 2 287.367 1.785 20 30 CDEDLO CO/N=C/C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000283054915 263080736 /nfs/dbraw/zinc/08/07/36/263080736.db2.gz MESZXRXNSRZLIB-MHWRWJLKSA-N 1 2 291.351 1.398 20 30 CDEDLO CO/N=C/C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000283239280 263082059 /nfs/dbraw/zinc/08/20/59/263082059.db2.gz JGGVDXRPUJNXII-XPWNQWCVSA-N 1 2 296.396 1.946 20 30 CDEDLO CO/N=C/C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000283239280 263082060 /nfs/dbraw/zinc/08/20/60/263082060.db2.gz JGGVDXRPUJNXII-XPWNQWCVSA-N 1 2 296.396 1.946 20 30 CDEDLO COc1ccc(OCCCO[NH+]=C(N)[C@H]2CCCO2)cc1 ZINC000284572433 263087486 /nfs/dbraw/zinc/08/74/86/263087486.db2.gz WYFCWDMESODSQC-CQSZACIVSA-N 1 2 294.351 1.932 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000286824786 263099809 /nfs/dbraw/zinc/09/98/09/263099809.db2.gz UBRHXVOZDFQNRD-AWEZNQCLSA-N 1 2 256.309 1.890 20 30 CDEDLO CC(C)[C@H](NS(=O)(=O)CCCCC#N)c1[nH]cc[nH+]1 ZINC000288821935 263106111 /nfs/dbraw/zinc/10/61/11/263106111.db2.gz BLVOPRLFNYFITM-NSHDSACASA-N 1 2 284.385 1.720 20 30 CDEDLO C=CC[C@H](CO)C[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000340315661 263110499 /nfs/dbraw/zinc/11/04/99/263110499.db2.gz DWDPRJHOQVXXMV-FZMZJTMJSA-N 1 2 290.342 1.807 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299165073 263232684 /nfs/dbraw/zinc/23/26/84/263232684.db2.gz NQAJIUUWNZAGJO-DGCLKSJQSA-N 1 2 293.323 1.426 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299165073 263232686 /nfs/dbraw/zinc/23/26/86/263232686.db2.gz NQAJIUUWNZAGJO-DGCLKSJQSA-N 1 2 293.323 1.426 20 30 CDEDLO CC#CCN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000341094299 263321586 /nfs/dbraw/zinc/32/15/86/263321586.db2.gz URKUXICZKIPTIF-AWEZNQCLSA-N 1 2 264.369 1.112 20 30 CDEDLO CC#CCN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000341094299 263321587 /nfs/dbraw/zinc/32/15/87/263321587.db2.gz URKUXICZKIPTIF-AWEZNQCLSA-N 1 2 264.369 1.112 20 30 CDEDLO CC[C@@H]1CN(CC#CC[N@@H+]2CCO[C@H](CC)C2)CCO1 ZINC000341895774 263366870 /nfs/dbraw/zinc/36/68/70/263366870.db2.gz WXLHDMXFSOTFBS-HZPDHXFCSA-N 1 2 280.412 1.211 20 30 CDEDLO CC[C@@H]1CN(CC#CC[N@H+]2CCO[C@H](CC)C2)CCO1 ZINC000341895774 263366873 /nfs/dbraw/zinc/36/68/73/263366873.db2.gz WXLHDMXFSOTFBS-HZPDHXFCSA-N 1 2 280.412 1.211 20 30 CDEDLO COCC1(C#N)CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000343149436 263593862 /nfs/dbraw/zinc/59/38/62/263593862.db2.gz OLZGYZKYRLKBNI-UHFFFAOYSA-N 1 2 281.747 1.469 20 30 CDEDLO COCC1(C#N)CCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000343149436 263593863 /nfs/dbraw/zinc/59/38/63/263593863.db2.gz OLZGYZKYRLKBNI-UHFFFAOYSA-N 1 2 281.747 1.469 20 30 CDEDLO CC#CCNC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000416686792 263745512 /nfs/dbraw/zinc/74/55/12/263745512.db2.gz BYWRIWAUBIUFHV-UHFFFAOYSA-N 1 2 282.347 1.391 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)[C@@H]1C[C@H](C)CC(=O)N1)[NH+]1CCOCC1 ZINC000328825008 263869040 /nfs/dbraw/zinc/86/90/40/263869040.db2.gz RQYVXKWLKQRLTP-RVMXOQNASA-N 1 2 297.399 1.807 20 30 CDEDLO CC[N@@H+](CC(=O)N1C[C@H](C)O[C@@H](C)C1)C[C@H](C)C#N ZINC000330784346 264052946 /nfs/dbraw/zinc/05/29/46/264052946.db2.gz RSHBFPOOPSCJRR-AGIUHOORSA-N 1 2 267.373 1.104 20 30 CDEDLO CC[N@H+](CC(=O)N1C[C@H](C)O[C@@H](C)C1)C[C@H](C)C#N ZINC000330784346 264052949 /nfs/dbraw/zinc/05/29/49/264052949.db2.gz RSHBFPOOPSCJRR-AGIUHOORSA-N 1 2 267.373 1.104 20 30 CDEDLO Cc1cncc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)c1 ZINC000330906928 264074629 /nfs/dbraw/zinc/07/46/29/264074629.db2.gz BSTKGAIXVVMZQS-LBPRGKRZSA-N 1 2 263.341 1.415 20 30 CDEDLO Cc1cncc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)c1 ZINC000330906928 264074630 /nfs/dbraw/zinc/07/46/30/264074630.db2.gz BSTKGAIXVVMZQS-LBPRGKRZSA-N 1 2 263.341 1.415 20 30 CDEDLO COc1cccc(F)c1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330956224 264087632 /nfs/dbraw/zinc/08/76/32/264087632.db2.gz NFKDIPPUUGXZEX-NSHDSACASA-N 1 2 296.342 1.860 20 30 CDEDLO COc1cccc(F)c1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330956224 264087635 /nfs/dbraw/zinc/08/76/35/264087635.db2.gz NFKDIPPUUGXZEX-NSHDSACASA-N 1 2 296.342 1.860 20 30 CDEDLO CC#CCN(C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000655243622 424042391 /nfs/dbraw/zinc/04/23/91/424042391.db2.gz DTFUXGPNHQFTHC-UHFFFAOYSA-N 1 2 271.364 1.667 20 30 CDEDLO C=CCCN(C)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000357011475 266231837 /nfs/dbraw/zinc/23/18/37/266231837.db2.gz OIOKYAVZHYCQIA-UHFFFAOYSA-N 1 2 260.328 1.998 20 30 CDEDLO CC#CCNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000371267353 267380730 /nfs/dbraw/zinc/38/07/30/267380730.db2.gz XUIKFUVBMZDPOS-UHFFFAOYSA-N 1 2 269.308 1.090 20 30 CDEDLO C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000123435858 268053832 /nfs/dbraw/zinc/05/38/32/268053832.db2.gz WAEPUEJZFOKUDG-CYBMUJFWSA-N 1 2 287.363 1.689 20 30 CDEDLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000123435858 268053835 /nfs/dbraw/zinc/05/38/35/268053835.db2.gz WAEPUEJZFOKUDG-CYBMUJFWSA-N 1 2 287.363 1.689 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000829998303 782044717 /nfs/dbraw/zinc/04/47/17/782044717.db2.gz KTPBNQYWDQDWQF-CYBMUJFWSA-N 1 2 279.271 1.584 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000829998303 782044728 /nfs/dbraw/zinc/04/47/28/782044728.db2.gz KTPBNQYWDQDWQF-CYBMUJFWSA-N 1 2 279.271 1.584 20 30 CDEDLO C=CCCS(=O)(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000295443307 277834248 /nfs/dbraw/zinc/83/42/48/277834248.db2.gz YOWXEBSNTRCCTH-NSHDSACASA-N 1 2 283.397 1.709 20 30 CDEDLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329052934 278132333 /nfs/dbraw/zinc/13/23/33/278132333.db2.gz HLNABHKBBCFIQS-RISCZKNCSA-N 1 2 268.357 1.375 20 30 CDEDLO C[C@H](C(=O)NC1CC1)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329052934 278132334 /nfs/dbraw/zinc/13/23/34/278132334.db2.gz HLNABHKBBCFIQS-RISCZKNCSA-N 1 2 268.357 1.375 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(-c2nn[nH]n2)ccn1 ZINC001590420427 1173401987 /nfs/dbraw/zinc/40/19/87/1173401987.db2.gz XYQBQXSOPKNTSW-JTQLQIEISA-N 1 2 257.301 1.044 20 30 CDEDLO Cc1nc(C)c(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000330301957 279073517 /nfs/dbraw/zinc/07/35/17/279073517.db2.gz JEYRUMOXNSNPJF-SNVBAGLBSA-N 1 2 260.297 1.808 20 30 CDEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1Cc1ccccc1C#N ZINC000289680876 279118259 /nfs/dbraw/zinc/11/82/59/279118259.db2.gz GIICCYDRNQFDLP-RHSMWYFYSA-N 1 2 285.391 1.853 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCN1CCC(F)(C#N)CC1 ZINC000352449776 288342264 /nfs/dbraw/zinc/34/22/64/288342264.db2.gz OIXIQAYTWAUFPF-GFCCVEGCSA-N 1 2 255.337 1.035 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCN1CCC(F)(C#N)CC1 ZINC000352449776 288342269 /nfs/dbraw/zinc/34/22/69/288342269.db2.gz OIXIQAYTWAUFPF-GFCCVEGCSA-N 1 2 255.337 1.035 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)C3(C#N)CCCCC3)C[C@H]21 ZINC000332230793 290115240 /nfs/dbraw/zinc/11/52/40/290115240.db2.gz LXUXTJUTCADPAT-OLZOCXBDSA-N 1 2 277.368 1.002 20 30 CDEDLO Cn1cnnc1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000564683884 293393959 /nfs/dbraw/zinc/39/39/59/293393959.db2.gz YOXQIBAMFDGDBY-UHFFFAOYSA-N 1 2 285.351 1.335 20 30 CDEDLO Cn1cnnc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000564683884 293393960 /nfs/dbraw/zinc/39/39/60/293393960.db2.gz YOXQIBAMFDGDBY-UHFFFAOYSA-N 1 2 285.351 1.335 20 30 CDEDLO N#CC1(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)CC1 ZINC000352687115 303142389 /nfs/dbraw/zinc/14/23/89/303142389.db2.gz URSNETGEPGGPEV-VHSXEESVSA-N 1 2 262.275 1.783 20 30 CDEDLO N#CC1(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)CC1 ZINC000352687115 303142388 /nfs/dbraw/zinc/14/23/88/303142388.db2.gz URSNETGEPGGPEV-VHSXEESVSA-N 1 2 262.275 1.783 20 30 CDEDLO C[C@H]1CC[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CC1 ZINC000574919933 327639487 /nfs/dbraw/zinc/63/94/87/327639487.db2.gz QYOLMEWEWSNTDA-YRGRVCCFSA-N 1 2 251.374 1.773 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1nccs1 ZINC000184441021 327910946 /nfs/dbraw/zinc/91/09/46/327910946.db2.gz NJUHCJWPTFITQC-MNOVXSKESA-N 1 2 280.397 1.802 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cnccn3)CC2)cc1 ZINC000576324995 317116950 /nfs/dbraw/zinc/11/69/50/317116950.db2.gz GQWCTEJSSMILQW-UHFFFAOYSA-N 1 2 293.374 1.666 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCc2ccccc21 ZINC000884406332 782085803 /nfs/dbraw/zinc/08/58/03/782085803.db2.gz RBYYEXIIPAWWTN-UONOGXRCSA-N 1 2 288.347 1.237 20 30 CDEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)C(C)(C)C#N ZINC000264149230 328157938 /nfs/dbraw/zinc/15/79/38/328157938.db2.gz MLCJJDYNNBXZCN-UHFFFAOYSA-N 1 2 288.273 1.954 20 30 CDEDLO CC[N@H+](CC(=O)OC)Cc1ccc(OCC#N)cc1 ZINC000264557859 328160300 /nfs/dbraw/zinc/16/03/00/328160300.db2.gz NIEGERVMNIGGHT-UHFFFAOYSA-N 1 2 262.309 1.584 20 30 CDEDLO CC[N@@H+](CC(=O)OC)Cc1ccc(OCC#N)cc1 ZINC000264557859 328160301 /nfs/dbraw/zinc/16/03/01/328160301.db2.gz NIEGERVMNIGGHT-UHFFFAOYSA-N 1 2 262.309 1.584 20 30 CDEDLO Cc1ccc(C)c(NC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000514668922 329172228 /nfs/dbraw/zinc/17/22/28/329172228.db2.gz PLPCZJPUAYFYFR-AWEZNQCLSA-N 1 2 261.369 1.922 20 30 CDEDLO Cc1ccc(C)c(NC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000514668922 329172229 /nfs/dbraw/zinc/17/22/29/329172229.db2.gz PLPCZJPUAYFYFR-AWEZNQCLSA-N 1 2 261.369 1.922 20 30 CDEDLO CCCCc1nc(CO[NH+]=C(N)[C@H]2CCCO2)no1 ZINC000284458189 328246117 /nfs/dbraw/zinc/24/61/17/328246117.db2.gz QMNVZTZXIWIRKX-SECBINFHSA-N 1 2 268.317 1.380 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)NCCC(=O)N(C)C)cc2n1C ZINC000331038072 328475063 /nfs/dbraw/zinc/47/50/63/328475063.db2.gz OLRHIHIYFKZGFA-UHFFFAOYSA-N 1 2 288.351 1.665 20 30 CDEDLO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1nnc2ccccn21 ZINC000560668565 327335385 /nfs/dbraw/zinc/33/53/85/327335385.db2.gz SRKFUYPYGYVJFI-NEPJUHHUSA-N 1 2 268.324 1.823 20 30 CDEDLO CCCCCOCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000584354763 328734292 /nfs/dbraw/zinc/73/42/92/328734292.db2.gz WXDMZIGFOYSBQA-CYBMUJFWSA-N 1 2 255.362 1.153 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CC[C@H](OC)C[C@@H]2C(=O)OC)cc1 ZINC000377631214 329022223 /nfs/dbraw/zinc/02/22/23/329022223.db2.gz WBJPEKXVIZAMQF-JKSUJKDBSA-N 1 2 287.359 1.820 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C(=O)OC)cc1 ZINC000377631214 329022224 /nfs/dbraw/zinc/02/22/24/329022224.db2.gz WBJPEKXVIZAMQF-JKSUJKDBSA-N 1 2 287.359 1.820 20 30 CDEDLO CCC(CC)[C@@H](C(=O)N[C@@H](C)CC#N)[NH+]1CCOCC1 ZINC000173328652 329145965 /nfs/dbraw/zinc/14/59/65/329145965.db2.gz ZGQCOYPAABFQJG-JSGCOSHPSA-N 1 2 281.400 1.542 20 30 CDEDLO C=CCCCC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000175592498 329169825 /nfs/dbraw/zinc/16/98/25/329169825.db2.gz LRLKPTDQRLIXDZ-OAHLLOKOSA-N 1 2 279.428 1.581 20 30 CDEDLO C=CC[N@@H+](Cc1cc(F)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179967290 329213162 /nfs/dbraw/zinc/21/31/62/329213162.db2.gz BVNVDYCVRADWAK-CYBMUJFWSA-N 1 2 299.367 1.706 20 30 CDEDLO C=CC[N@H+](Cc1cc(F)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179967290 329213164 /nfs/dbraw/zinc/21/31/64/329213164.db2.gz BVNVDYCVRADWAK-CYBMUJFWSA-N 1 2 299.367 1.706 20 30 CDEDLO C=CCC[C@@H](CO)Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000450896447 331005559 /nfs/dbraw/zinc/00/55/59/331005559.db2.gz NGPQXDHOAFNYRD-LBPRGKRZSA-N 1 2 294.424 1.769 20 30 CDEDLO C=CCC[C@@H](CO)Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000450896447 331005560 /nfs/dbraw/zinc/00/55/60/331005560.db2.gz NGPQXDHOAFNYRD-LBPRGKRZSA-N 1 2 294.424 1.769 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc(C(C)(C)C)no1 ZINC000451596704 331035507 /nfs/dbraw/zinc/03/55/07/331035507.db2.gz GYHHSRPGXFQIHR-ZJUUUORDSA-N 1 2 251.330 1.800 20 30 CDEDLO C=C(C)CCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000452716737 331073048 /nfs/dbraw/zinc/07/30/48/331073048.db2.gz JAAJBMMXLBDKCV-CQSZACIVSA-N 1 2 266.385 1.570 20 30 CDEDLO C=C(C)CCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000452716737 331073049 /nfs/dbraw/zinc/07/30/49/331073049.db2.gz JAAJBMMXLBDKCV-CQSZACIVSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CCn1cccc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000488917662 332033700 /nfs/dbraw/zinc/03/37/00/332033700.db2.gz ZHRUROSUTRYDHE-LBPRGKRZSA-N 1 2 270.336 1.615 20 30 CDEDLO C=CCCCS(=O)(=O)N1CC(=O)Nc2c[nH+]ccc21 ZINC000489612340 332061539 /nfs/dbraw/zinc/06/15/39/332061539.db2.gz RIUOSQDOEKXWBM-UHFFFAOYSA-N 1 2 281.337 1.136 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cnn(C)c1C(F)(F)F ZINC000490804557 332117072 /nfs/dbraw/zinc/11/70/72/332117072.db2.gz YCABRCXVIFQNKJ-UHFFFAOYSA-N 1 2 269.270 1.897 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cnn(C)c1C(F)(F)F ZINC000490804557 332117073 /nfs/dbraw/zinc/11/70/73/332117073.db2.gz YCABRCXVIFQNKJ-UHFFFAOYSA-N 1 2 269.270 1.897 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000490891842 332125151 /nfs/dbraw/zinc/12/51/51/332125151.db2.gz HITLZVPEOYWEJW-NSHDSACASA-N 1 2 299.399 1.833 20 30 CDEDLO C#CC[NH+]1CCN(CN2CCC(CC)(CC)C2=O)CC1 ZINC000491339989 332193261 /nfs/dbraw/zinc/19/32/61/332193261.db2.gz UQMVFSIWKZUSKE-UHFFFAOYSA-N 1 2 277.412 1.233 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](O)COc1ccccc1C ZINC000491408778 332207119 /nfs/dbraw/zinc/20/71/19/332207119.db2.gz WTXUNLHNRMOQIK-CABCVRRESA-N 1 2 275.348 1.069 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](O)COc1ccccc1C ZINC000491408778 332207120 /nfs/dbraw/zinc/20/71/20/332207120.db2.gz WTXUNLHNRMOQIK-CABCVRRESA-N 1 2 275.348 1.069 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccoc3)n2CC)CC1 ZINC000491440373 332212004 /nfs/dbraw/zinc/21/20/04/332212004.db2.gz OXFFRBOTYZJEEK-UHFFFAOYSA-N 1 2 285.351 1.313 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cc(C)nn1C(C)(C)C ZINC000491462029 332215947 /nfs/dbraw/zinc/21/59/47/332215947.db2.gz GJWHYQLIMJBGPD-GFCCVEGCSA-N 1 2 276.384 1.839 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(C)nn1C(C)(C)C ZINC000491462029 332215949 /nfs/dbraw/zinc/21/59/49/332215949.db2.gz GJWHYQLIMJBGPD-GFCCVEGCSA-N 1 2 276.384 1.839 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)CC[C@H](CC(C)C)C1=O ZINC000491523262 332228745 /nfs/dbraw/zinc/22/87/45/332228745.db2.gz CQBMVZKOCUCXGP-CHWSQXEVSA-N 1 2 264.369 1.709 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)CC[C@H](CC(C)C)C1=O ZINC000491523262 332228747 /nfs/dbraw/zinc/22/87/47/332228747.db2.gz CQBMVZKOCUCXGP-CHWSQXEVSA-N 1 2 264.369 1.709 20 30 CDEDLO C#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)C(C)(C)C ZINC000491536680 332232142 /nfs/dbraw/zinc/23/21/42/332232142.db2.gz LRNZGSMUYCSNSG-LBPRGKRZSA-N 1 2 283.335 1.440 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@@H](c2cccnc2)CC1=O ZINC000491626066 332249877 /nfs/dbraw/zinc/24/98/77/332249877.db2.gz IDCOLDDJOOHRRR-OCCSQVGLSA-N 1 2 257.337 1.309 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@@H](c2cccnc2)CC1=O ZINC000491626066 332249878 /nfs/dbraw/zinc/24/98/78/332249878.db2.gz IDCOLDDJOOHRRR-OCCSQVGLSA-N 1 2 257.337 1.309 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1cccc(C(=O)NCC)c1)C1CC1 ZINC000491628540 332251713 /nfs/dbraw/zinc/25/17/13/332251713.db2.gz KVDFQXMNULWZLT-UHFFFAOYSA-N 1 2 299.374 1.472 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1cccc(C(=O)NCC)c1)C1CC1 ZINC000491628540 332251714 /nfs/dbraw/zinc/25/17/14/332251714.db2.gz KVDFQXMNULWZLT-UHFFFAOYSA-N 1 2 299.374 1.472 20 30 CDEDLO C#CC[N@@H+](CCCCCF)[C@@H]1CCS(=O)(=O)C1 ZINC000491689300 332286594 /nfs/dbraw/zinc/28/65/94/332286594.db2.gz HURQEHSKEJKJTG-GFCCVEGCSA-N 1 2 261.362 1.249 20 30 CDEDLO C#CC[N@H+](CCCCCF)[C@@H]1CCS(=O)(=O)C1 ZINC000491689300 332286596 /nfs/dbraw/zinc/28/65/96/332286596.db2.gz HURQEHSKEJKJTG-GFCCVEGCSA-N 1 2 261.362 1.249 20 30 CDEDLO C#C[C@@H](NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C(C)(C)C ZINC000491713361 332304319 /nfs/dbraw/zinc/30/43/19/332304319.db2.gz JPALXPCRWUPXDK-GXFFZTMASA-N 1 2 274.368 1.614 20 30 CDEDLO C#C[C@@H](NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C(C)(C)C ZINC000491713361 332304320 /nfs/dbraw/zinc/30/43/20/332304320.db2.gz JPALXPCRWUPXDK-GXFFZTMASA-N 1 2 274.368 1.614 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1nnc(-c2ccco2)o1)C1CC1 ZINC000491716228 332306193 /nfs/dbraw/zinc/30/61/93/332306193.db2.gz MOERKEJTIRGDLV-UHFFFAOYSA-N 1 2 286.291 1.366 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1nnc(-c2ccco2)o1)C1CC1 ZINC000491716228 332306194 /nfs/dbraw/zinc/30/61/94/332306194.db2.gz MOERKEJTIRGDLV-UHFFFAOYSA-N 1 2 286.291 1.366 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)Nc1cccc(OC)c1 ZINC000491751316 332327413 /nfs/dbraw/zinc/32/74/13/332327413.db2.gz WSUWBGVCYDRYJS-CQSZACIVSA-N 1 2 288.347 1.358 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1cccc(OC)c1 ZINC000491751316 332327414 /nfs/dbraw/zinc/32/74/14/332327414.db2.gz WSUWBGVCYDRYJS-CQSZACIVSA-N 1 2 288.347 1.358 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000491789550 332351549 /nfs/dbraw/zinc/35/15/49/332351549.db2.gz YYCHNPMUDOUHMA-JTQLQIEISA-N 1 2 260.293 1.307 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000491789550 332351550 /nfs/dbraw/zinc/35/15/50/332351550.db2.gz YYCHNPMUDOUHMA-JTQLQIEISA-N 1 2 260.293 1.307 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)/C=C/c1[nH+]ccn1CC ZINC000493164835 332428921 /nfs/dbraw/zinc/42/89/21/332428921.db2.gz WHCWVYPQEODQFH-AAAGKOELSA-N 1 2 275.352 1.624 20 30 CDEDLO Cc1ccncc1/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000493533268 332444001 /nfs/dbraw/zinc/44/40/01/332444001.db2.gz WEMAZOWBNYNLHG-NFAHFFEMSA-N 1 2 272.352 1.363 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000185165796 333136262 /nfs/dbraw/zinc/13/62/62/333136262.db2.gz YBPPCSHBOGDEIQ-VHSXEESVSA-N 1 2 278.356 1.156 20 30 CDEDLO Cc1cccn2cc(CC(=O)N[C@H](C)CC#N)[nH+]c12 ZINC000522117954 333243948 /nfs/dbraw/zinc/24/39/48/333243948.db2.gz JJAONAYQMKMVQR-LLVKDONJSA-N 1 2 256.309 1.604 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000125923089 333582233 /nfs/dbraw/zinc/58/22/33/333582233.db2.gz GUSGHIGVWVIXOI-MRXNPFEDSA-N 1 2 299.418 1.563 20 30 CDEDLO CC[C@H](C)[N@H+](CC(=O)NCC#N)CC(=O)OC(C)(C)C ZINC000136346919 334152459 /nfs/dbraw/zinc/15/24/59/334152459.db2.gz PKNBBNIOQLOSOW-NSHDSACASA-N 1 2 283.372 1.068 20 30 CDEDLO CC[C@H](C)[N@@H+](CC(=O)NCC#N)CC(=O)OC(C)(C)C ZINC000136346919 334152460 /nfs/dbraw/zinc/15/24/60/334152460.db2.gz PKNBBNIOQLOSOW-NSHDSACASA-N 1 2 283.372 1.068 20 30 CDEDLO N#CCC[N@@H+](CC(=O)NC(=O)NC1CCCC1)CC1CC1 ZINC000081043557 334177179 /nfs/dbraw/zinc/17/71/79/334177179.db2.gz RKBHAVGFVCJRMT-UHFFFAOYSA-N 1 2 292.383 1.380 20 30 CDEDLO N#CCC[N@H+](CC(=O)NC(=O)NC1CCCC1)CC1CC1 ZINC000081043557 334177180 /nfs/dbraw/zinc/17/71/80/334177180.db2.gz RKBHAVGFVCJRMT-UHFFFAOYSA-N 1 2 292.383 1.380 20 30 CDEDLO CN(C)c1nccc(C[NH2+]C[C@@H](C#N)CCC#N)n1 ZINC000553813300 334399654 /nfs/dbraw/zinc/39/96/54/334399654.db2.gz GHTPGMVHBWKONC-LLVKDONJSA-N 1 2 258.329 1.076 20 30 CDEDLO CCc1cccnc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000565540665 334572693 /nfs/dbraw/zinc/57/26/93/334572693.db2.gz CCMIOKVHXMYHAX-CQSZACIVSA-N 1 2 260.341 1.218 20 30 CDEDLO N#CC1(CNC(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000577340347 335340423 /nfs/dbraw/zinc/34/04/23/335340423.db2.gz YGQJNELGFHISQG-UHFFFAOYSA-N 1 2 273.340 1.487 20 30 CDEDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000577518223 335363921 /nfs/dbraw/zinc/36/39/21/335363921.db2.gz BYADCVRWSOYUJA-CQSZACIVSA-N 1 2 290.323 1.477 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000580837785 335973594 /nfs/dbraw/zinc/97/35/94/335973594.db2.gz ZOOOCRDIPRQICF-ZYHUDNBSSA-N 1 2 273.327 1.772 20 30 CDEDLO C[C@H](NCC#N)[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001752146146 1159450217 /nfs/dbraw/zinc/45/02/17/1159450217.db2.gz JGOHXECSMZHOTP-JSGCOSHPSA-N 1 2 289.383 1.225 20 30 CDEDLO C[C@H](NCC#N)[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001752146146 1159450219 /nfs/dbraw/zinc/45/02/19/1159450219.db2.gz JGOHXECSMZHOTP-JSGCOSHPSA-N 1 2 289.383 1.225 20 30 CDEDLO CC[C@@H]1CCC[C@@H]1C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001752372909 1159527365 /nfs/dbraw/zinc/52/73/65/1159527365.db2.gz KQKGESMXGKRGTI-CABCVRRESA-N 1 2 292.427 1.070 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1Nc1nc[nH+]c2c1OCCN2 ZINC000665722157 482576431 /nfs/dbraw/zinc/57/64/31/482576431.db2.gz HIOYWCKOOVMOLI-ZJUUUORDSA-N 1 2 262.313 1.426 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1Nc1[nH+]cnc2c1OCCN2 ZINC000665722157 482576435 /nfs/dbraw/zinc/57/64/35/482576435.db2.gz HIOYWCKOOVMOLI-ZJUUUORDSA-N 1 2 262.313 1.426 20 30 CDEDLO C=C[C@H](O)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000669334350 482706772 /nfs/dbraw/zinc/70/67/72/482706772.db2.gz CZLGUVNLLAXZJX-KGLIPLIRSA-N 1 2 285.347 1.367 20 30 CDEDLO COCC#CC[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000677817180 482792482 /nfs/dbraw/zinc/79/24/82/482792482.db2.gz KQMBMDJBJWRFBW-UHFFFAOYSA-N 1 2 264.291 1.206 20 30 CDEDLO COCC#CC[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000677817180 482792485 /nfs/dbraw/zinc/79/24/85/482792485.db2.gz KQMBMDJBJWRFBW-UHFFFAOYSA-N 1 2 264.291 1.206 20 30 CDEDLO C=CCNC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673767793 482837420 /nfs/dbraw/zinc/83/74/20/482837420.db2.gz PVXGKNXAIWSBRP-UHFFFAOYSA-N 1 2 258.325 1.670 20 30 CDEDLO C=CCCS(=O)(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000675754879 483362655 /nfs/dbraw/zinc/36/26/55/483362655.db2.gz DUEFJOSTJURKSB-UHFFFAOYSA-N 1 2 280.393 1.498 20 30 CDEDLO CC[C@@H](CNC(=O)CSCC#N)Nc1cc[nH+]c(C)n1 ZINC001102986813 1160893794 /nfs/dbraw/zinc/89/37/94/1160893794.db2.gz KKFNIEFTMJKHTG-NSHDSACASA-N 1 2 293.396 1.349 20 30 CDEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ncc[nH]1 ZINC001272922515 1161431822 /nfs/dbraw/zinc/43/18/22/1161431822.db2.gz WSJLNVOBSVNGSL-VXGBXAGGSA-N 1 2 260.341 1.161 20 30 CDEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ncc[nH]1 ZINC001272922515 1161431827 /nfs/dbraw/zinc/43/18/27/1161431827.db2.gz WSJLNVOBSVNGSL-VXGBXAGGSA-N 1 2 260.341 1.161 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)SC)[C@H]2C1 ZINC001083052942 1161584216 /nfs/dbraw/zinc/58/42/16/1161584216.db2.gz HDNYUCYFOOWVIL-BFHYXJOUSA-N 1 2 296.436 1.063 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)SC)[C@H]2C1 ZINC001083052942 1161584220 /nfs/dbraw/zinc/58/42/20/1161584220.db2.gz HDNYUCYFOOWVIL-BFHYXJOUSA-N 1 2 296.436 1.063 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cc(-c2cnn(C)c2C)no1 ZINC000184592841 518256120 /nfs/dbraw/zinc/25/61/20/518256120.db2.gz LVNXMQXQFBCLDU-UHFFFAOYSA-N 1 2 268.320 1.452 20 30 CDEDLO C#C[C@H](C)[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000184695417 518357069 /nfs/dbraw/zinc/35/70/69/518357069.db2.gz HUPUTNBHRKUPPD-GZMMTYOYSA-N 1 2 281.153 1.587 20 30 CDEDLO C[C@H]1CCSCC[N@@H+]1Cn1cccc(C#N)c1=O ZINC000790475736 1162154645 /nfs/dbraw/zinc/15/46/45/1162154645.db2.gz ASNCRIGXEWTCHV-NSHDSACASA-N 1 2 263.366 1.505 20 30 CDEDLO C[C@H]1CCSCC[N@H+]1Cn1cccc(C#N)c1=O ZINC000790475736 1162154647 /nfs/dbraw/zinc/15/46/47/1162154647.db2.gz ASNCRIGXEWTCHV-NSHDSACASA-N 1 2 263.366 1.505 20 30 CDEDLO C#CCCCS(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000791421709 1162220474 /nfs/dbraw/zinc/22/04/74/1162220474.db2.gz CEZLCBHYMYNUJV-UHFFFAOYSA-N 1 2 250.323 1.187 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCO[C@@H](C#N)C1 ZINC000332071985 534678701 /nfs/dbraw/zinc/67/87/01/534678701.db2.gz WZCBUMOBXKTHLN-ZDUSSCGKSA-N 1 2 298.346 1.486 20 30 CDEDLO C=CCCOCC(=O)N1CC[NH+](CCOCC(C)C)CC1 ZINC001113709238 1162262874 /nfs/dbraw/zinc/26/28/74/1162262874.db2.gz NHRRKRYYVKNSSE-UHFFFAOYSA-N 1 2 298.427 1.396 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCOC[C@H]1C[C@H](C)O ZINC000157406284 523523484 /nfs/dbraw/zinc/52/34/84/523523484.db2.gz FCASIBDBFHUDBS-SWLSCSKDSA-N 1 2 290.363 1.539 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCOC[C@H]1C[C@H](C)O ZINC000157406284 523523490 /nfs/dbraw/zinc/52/34/90/523523490.db2.gz FCASIBDBFHUDBS-SWLSCSKDSA-N 1 2 290.363 1.539 20 30 CDEDLO C=CCCS(=O)(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246943145 534784540 /nfs/dbraw/zinc/78/45/40/534784540.db2.gz HSAKMQCVEUGBHQ-QWHCGFSZSA-N 1 2 283.397 1.672 20 30 CDEDLO C=CCOCC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000354548838 526705718 /nfs/dbraw/zinc/70/57/18/526705718.db2.gz WDMDOVINKOFHBM-UHFFFAOYSA-N 1 2 299.374 1.793 20 30 CDEDLO N#Cc1ccccc1OCC[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000246540825 526745892 /nfs/dbraw/zinc/74/58/92/526745892.db2.gz JQVOLPQPLAWEPO-HUUCEWRRSA-N 1 2 299.374 1.680 20 30 CDEDLO N#Cc1ccccc1OCC[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000246540825 526745897 /nfs/dbraw/zinc/74/58/97/526745897.db2.gz JQVOLPQPLAWEPO-HUUCEWRRSA-N 1 2 299.374 1.680 20 30 CDEDLO C=CCOc1cccc(C[NH2+]Cc2cc(C(N)=O)no2)c1 ZINC000350457220 526903616 /nfs/dbraw/zinc/90/36/16/526903616.db2.gz HUXOVCUIBXGSMM-UHFFFAOYSA-N 1 2 287.319 1.628 20 30 CDEDLO C#CCOc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000112145480 527125247 /nfs/dbraw/zinc/12/52/47/527125247.db2.gz STZQTMKJGDAXAK-UHFFFAOYSA-N 1 2 272.348 1.363 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000353556567 527534159 /nfs/dbraw/zinc/53/41/59/527534159.db2.gz DBPBUNJDISYHDT-DOMZBBRYSA-N 1 2 277.368 1.543 20 30 CDEDLO CC1(CNC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000330190699 527902203 /nfs/dbraw/zinc/90/22/03/527902203.db2.gz MOEQKCTZGAIJMO-NSHDSACASA-N 1 2 262.357 1.892 20 30 CDEDLO CC1(C[NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000330190699 527902207 /nfs/dbraw/zinc/90/22/07/527902207.db2.gz MOEQKCTZGAIJMO-NSHDSACASA-N 1 2 262.357 1.892 20 30 CDEDLO CC(C)N1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1=O ZINC000329009792 529072367 /nfs/dbraw/zinc/07/23/67/529072367.db2.gz ZIWOHUBSRXIAGI-AAEUAGOBSA-N 1 2 290.367 1.411 20 30 CDEDLO C[N@H+](CCO)Cc1cc(C#N)ccc1Br ZINC000191775105 536392373 /nfs/dbraw/zinc/39/23/73/536392373.db2.gz WQCSULNBBJFCFT-UHFFFAOYSA-N 1 2 269.142 1.745 20 30 CDEDLO C[N@@H+](CCO)Cc1cc(C#N)ccc1Br ZINC000191775105 536392376 /nfs/dbraw/zinc/39/23/76/536392376.db2.gz WQCSULNBBJFCFT-UHFFFAOYSA-N 1 2 269.142 1.745 20 30 CDEDLO O=C(NC[C@H]1Cc2ccccc2O1)N1CCn2cc[nH+]c2C1 ZINC000329817476 538672194 /nfs/dbraw/zinc/67/21/94/538672194.db2.gz FULUVAJYJKMTDL-CYBMUJFWSA-N 1 2 298.346 1.616 20 30 CDEDLO C=C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000133776039 538830521 /nfs/dbraw/zinc/83/05/21/538830521.db2.gz KNRMGIYJHXQIJS-SECBINFHSA-N 1 2 286.335 1.511 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2cnc3onc(CC)c3c2)CC1 ZINC000728083704 574612885 /nfs/dbraw/zinc/61/28/85/574612885.db2.gz QIKSJSPNLBQYRD-UHFFFAOYSA-N 1 2 298.346 1.176 20 30 CDEDLO FC(F)(F)CN[NH+]=Cc1cnc(N2CCCC2)nc1 ZINC000769810799 575388220 /nfs/dbraw/zinc/38/82/20/575388220.db2.gz OHVLJYQDNMMVKY-UHFFFAOYSA-N 1 2 273.262 1.563 20 30 CDEDLO COc1ccc(C#N)cc1CO[NH+]=C(N)COC(C)C ZINC000770693936 575488074 /nfs/dbraw/zinc/48/80/74/575488074.db2.gz JHGIWKDYQUEFID-UHFFFAOYSA-N 1 2 277.324 1.990 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c2c[nH]nc21 ZINC000732064028 575077529 /nfs/dbraw/zinc/07/75/29/575077529.db2.gz UKAWWRFEWLAQKY-AWEZNQCLSA-N 1 2 282.347 1.907 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c2c[nH]nc21 ZINC000732064028 575077531 /nfs/dbraw/zinc/07/75/31/575077531.db2.gz UKAWWRFEWLAQKY-AWEZNQCLSA-N 1 2 282.347 1.907 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)[C@H](CC)c2c(C)noc2C)CC1 ZINC000733160784 575102923 /nfs/dbraw/zinc/10/29/23/575102923.db2.gz ABBVGVOGBXDYDT-CQSZACIVSA-N 1 2 289.379 1.562 20 30 CDEDLO CC(C)[N@H+]1CC(=NNCC(C)(C)S(C)(=O)=O)[C@@H](C)C1 ZINC000774496482 575208766 /nfs/dbraw/zinc/20/87/66/575208766.db2.gz LXUYGYKAQXOGAO-NSHDSACASA-N 1 2 289.445 1.115 20 30 CDEDLO CC(C)[N@@H+]1CC(=NNCC(C)(C)S(C)(=O)=O)[C@@H](C)C1 ZINC000774496482 575208769 /nfs/dbraw/zinc/20/87/69/575208769.db2.gz LXUYGYKAQXOGAO-NSHDSACASA-N 1 2 289.445 1.115 20 30 CDEDLO CC(C)(C)OC(=O)NCC[NH+]1CCN(CCC#N)CC1 ZINC000760943977 576527860 /nfs/dbraw/zinc/52/78/60/576527860.db2.gz OABJHSGKDUIHJT-UHFFFAOYSA-N 1 2 282.388 1.042 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)CC)CC1 ZINC000772115075 575662681 /nfs/dbraw/zinc/66/26/81/575662681.db2.gz VJOCMZJYACSGPS-LLVKDONJSA-N 1 2 251.326 1.242 20 30 CDEDLO COc1ccccc1[C@H](NC(=O)[C@@H](C)C#N)c1[nH+]ccn1C ZINC000736668940 575713259 /nfs/dbraw/zinc/71/32/59/575713259.db2.gz MHWYARURYFOAQY-FZMZJTMJSA-N 1 2 298.346 1.794 20 30 CDEDLO C#C[C@H](C)NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000773596425 575828804 /nfs/dbraw/zinc/82/88/04/575828804.db2.gz CHUHSGMJICBUEI-ZDUSSCGKSA-N 1 2 289.354 1.675 20 30 CDEDLO COc1cccc(O)c1/C=N\CC1([NH+]2CCOCC2)CC1 ZINC000765970401 576067340 /nfs/dbraw/zinc/06/73/40/576067340.db2.gz NMCXMOQFUOUGIJ-BOPFTXTBSA-N 1 2 290.363 1.685 20 30 CDEDLO CO[C@H]1CCC[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766620232 576116711 /nfs/dbraw/zinc/11/67/11/576116711.db2.gz RSGUKGHLBWBIRN-ZDUSSCGKSA-N 1 2 287.363 1.277 20 30 CDEDLO CO[C@H]1CCC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766620232 576116713 /nfs/dbraw/zinc/11/67/13/576116713.db2.gz RSGUKGHLBWBIRN-ZDUSSCGKSA-N 1 2 287.363 1.277 20 30 CDEDLO CCOCC[N@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766632785 576117494 /nfs/dbraw/zinc/11/74/94/576117494.db2.gz NVPDFTSOAIEEOM-UHFFFAOYSA-N 1 2 275.352 1.134 20 30 CDEDLO CCOCC[N@@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766632785 576117495 /nfs/dbraw/zinc/11/74/95/576117495.db2.gz NVPDFTSOAIEEOM-UHFFFAOYSA-N 1 2 275.352 1.134 20 30 CDEDLO C#CCCCO[NH+]=C(N)c1cc(OC)c(OC)c(OC)c1 ZINC000766753021 576132053 /nfs/dbraw/zinc/13/20/53/576132053.db2.gz UFIHTQXEXPZCBA-UHFFFAOYSA-N 1 2 292.335 1.972 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ncccc2CC)CC1 ZINC000766786530 576135032 /nfs/dbraw/zinc/13/50/32/576135032.db2.gz WWLHOAYDPJGAFW-UHFFFAOYSA-N 1 2 257.337 1.035 20 30 CDEDLO CC(C)[C@H](C(=O)OCC#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000741021392 576531796 /nfs/dbraw/zinc/53/17/96/576531796.db2.gz PJEDNSUWLIXAOY-GRYCIOLGSA-N 1 2 254.330 1.187 20 30 CDEDLO CC(C)[C@H](C(=O)OCC#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000741021392 576531799 /nfs/dbraw/zinc/53/17/99/576531799.db2.gz PJEDNSUWLIXAOY-GRYCIOLGSA-N 1 2 254.330 1.187 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(OC)ccn1 ZINC000761014760 576535112 /nfs/dbraw/zinc/53/51/12/576535112.db2.gz DXTIDDBPRNATGM-LBPRGKRZSA-N 1 2 259.309 1.126 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(OC)ccn1 ZINC000761014760 576535113 /nfs/dbraw/zinc/53/51/13/576535113.db2.gz DXTIDDBPRNATGM-LBPRGKRZSA-N 1 2 259.309 1.126 20 30 CDEDLO C[C@@H]1CC(=NNS(=O)(=O)CCc2ccccc2)C[N@@H+]1C ZINC000761812716 576594816 /nfs/dbraw/zinc/59/48/16/576594816.db2.gz NJYAXJVXJGAPDV-GFCCVEGCSA-N 1 2 295.408 1.229 20 30 CDEDLO C[C@@H]1CC(=NNS(=O)(=O)CCc2ccccc2)C[N@H+]1C ZINC000761812716 576594817 /nfs/dbraw/zinc/59/48/17/576594817.db2.gz NJYAXJVXJGAPDV-GFCCVEGCSA-N 1 2 295.408 1.229 20 30 CDEDLO Cc1cc(C(N)=[NH+]OC[C@@H]2CC3(CC3)C(=O)O2)ccc1F ZINC000762205621 576629081 /nfs/dbraw/zinc/62/90/81/576629081.db2.gz IWIHVPFHZCXHLT-NSHDSACASA-N 1 2 292.310 1.867 20 30 CDEDLO CC#CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000745111837 576716374 /nfs/dbraw/zinc/71/63/74/576716374.db2.gz QSECMKNVVKJAJD-OAHLLOKOSA-N 1 2 273.332 1.454 20 30 CDEDLO CC#CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000745111837 576716375 /nfs/dbraw/zinc/71/63/75/576716375.db2.gz QSECMKNVVKJAJD-OAHLLOKOSA-N 1 2 273.332 1.454 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccnn1CC1CC1 ZINC000763786052 576757354 /nfs/dbraw/zinc/75/73/54/576757354.db2.gz LCZIENIDXWZODM-ZDUSSCGKSA-N 1 2 272.352 1.329 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccnn1CC1CC1 ZINC000763786052 576757356 /nfs/dbraw/zinc/75/73/56/576757356.db2.gz LCZIENIDXWZODM-ZDUSSCGKSA-N 1 2 272.352 1.329 20 30 CDEDLO C=CCn1nnn(C[N@H+](C)CCC2CC2)c1=S ZINC000746637056 576787391 /nfs/dbraw/zinc/78/73/91/576787391.db2.gz JPGPCIMUHUJVHQ-UHFFFAOYSA-N 1 2 253.375 1.684 20 30 CDEDLO C=CCn1nnn(C[N@@H+](C)CCC2CC2)c1=S ZINC000746637056 576787392 /nfs/dbraw/zinc/78/73/92/576787392.db2.gz JPGPCIMUHUJVHQ-UHFFFAOYSA-N 1 2 253.375 1.684 20 30 CDEDLO CO[C@@H]1CCCCC1N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753934212 576866864 /nfs/dbraw/zinc/86/68/64/576866864.db2.gz HNHYLURSOKCTSO-GMXVVIOVSA-N 1 2 264.373 1.791 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]N[C@@H](C)c1ccccc1 ZINC000747633453 576877535 /nfs/dbraw/zinc/87/75/35/576877535.db2.gz QUZZFQLFVNWNIR-JTQLQIEISA-N 1 2 271.324 1.752 20 30 CDEDLO CC(C)[N@H+]1CC(=NNc2cnnc(O)c2Cl)[C@@H](C)C1 ZINC000754256917 576888024 /nfs/dbraw/zinc/88/80/24/576888024.db2.gz GHMWUEUJMKZHBS-QMMMGPOBSA-N 1 2 283.763 1.964 20 30 CDEDLO CC(C)[N@@H+]1CC(=NNc2cnnc(O)c2Cl)[C@@H](C)C1 ZINC000754256917 576888026 /nfs/dbraw/zinc/88/80/26/576888026.db2.gz GHMWUEUJMKZHBS-QMMMGPOBSA-N 1 2 283.763 1.964 20 30 CDEDLO C#CCOc1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000748322210 576905103 /nfs/dbraw/zinc/90/51/03/576905103.db2.gz VRJCZXBCYHYZOL-UHFFFAOYSA-N 1 2 255.277 1.352 20 30 CDEDLO C#CCOc1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000748322210 576905104 /nfs/dbraw/zinc/90/51/04/576905104.db2.gz VRJCZXBCYHYZOL-UHFFFAOYSA-N 1 2 255.277 1.352 20 30 CDEDLO Cn1c[nH+]cc1C=NNC(=S)NC1CCCCC1 ZINC000755505641 576947518 /nfs/dbraw/zinc/94/75/18/576947518.db2.gz NEPDSQIMNLSGLO-UHFFFAOYSA-N 1 2 265.386 1.551 20 30 CDEDLO Cc1cccc2[nH+]cc(CN=Nc3ncccn3)n21 ZINC000755634732 576953067 /nfs/dbraw/zinc/95/30/67/576953067.db2.gz QLMHCYANZGZRDA-UHFFFAOYSA-N 1 2 252.281 1.879 20 30 CDEDLO COc1cc([N+](=O)[O-])ccc1NN=Cc1c[nH+]cn1C ZINC000755674243 576954845 /nfs/dbraw/zinc/95/48/45/576954845.db2.gz GPMFHUCPXUXODL-UHFFFAOYSA-N 1 2 275.268 1.783 20 30 CDEDLO N#CC1CC[NH+](CN2C(=O)[C@@H]3CCCCC[C@H]32)CC1 ZINC000749950725 576969515 /nfs/dbraw/zinc/96/95/15/576969515.db2.gz VKWKWQPINOADRR-ZIAGYGMSSA-N 1 2 261.369 1.971 20 30 CDEDLO COC(=O)C[C@@H]1CCCC[N@@H+]1Cn1cccc(C#N)c1=O ZINC000758197525 577080719 /nfs/dbraw/zinc/08/07/19/577080719.db2.gz LBRVWKZSTLUNKT-ZDUSSCGKSA-N 1 2 289.335 1.095 20 30 CDEDLO COC(=O)C[C@@H]1CCCC[N@H+]1Cn1cccc(C#N)c1=O ZINC000758197525 577080721 /nfs/dbraw/zinc/08/07/21/577080721.db2.gz LBRVWKZSTLUNKT-ZDUSSCGKSA-N 1 2 289.335 1.095 20 30 CDEDLO Cc1ccn(C[NH+]2C[C@H](C)S[C@@H](C)C2)c(=O)c1C#N ZINC000758222106 577084879 /nfs/dbraw/zinc/08/48/79/577084879.db2.gz FUTZUAATUFHRDK-RYUDHWBXSA-N 1 2 277.393 1.812 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCCO2)C1 ZINC000949897184 612990208 /nfs/dbraw/zinc/99/02/08/612990208.db2.gz RJSURDRCCDOADB-AWEZNQCLSA-N 1 2 264.369 1.112 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2conc2C2CC2)C1 ZINC000951732538 612992768 /nfs/dbraw/zinc/99/27/68/612992768.db2.gz JPMDGDPOQKDPIP-UHFFFAOYSA-N 1 2 287.363 1.722 20 30 CDEDLO C#CC[N@H+]1CCCCC[C@H]1CNC(=O)c1[nH]nc(C)c1C ZINC000968791470 613150141 /nfs/dbraw/zinc/15/01/41/613150141.db2.gz RFSLLVWJVZDPAQ-AWEZNQCLSA-N 1 2 288.395 1.634 20 30 CDEDLO C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1[nH]nc(C)c1C ZINC000968791470 613150142 /nfs/dbraw/zinc/15/01/42/613150142.db2.gz RFSLLVWJVZDPAQ-AWEZNQCLSA-N 1 2 288.395 1.634 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2cc(C)cs2)CC1 ZINC000981108697 613157317 /nfs/dbraw/zinc/15/73/17/613157317.db2.gz PMPGZTMHDQIJAX-UHFFFAOYSA-N 1 2 262.378 1.838 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc(C)cs2)CC1 ZINC000981108697 613157318 /nfs/dbraw/zinc/15/73/18/613157318.db2.gz PMPGZTMHDQIJAX-UHFFFAOYSA-N 1 2 262.378 1.838 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(CF)CCC3)C2)C1 ZINC000972561567 613212360 /nfs/dbraw/zinc/21/23/60/613212360.db2.gz RTNRAVNSBCWFRE-MRXNPFEDSA-N 1 2 294.370 1.063 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(CF)CCC3)C2)C1 ZINC000972561567 613212361 /nfs/dbraw/zinc/21/23/61/613212361.db2.gz RTNRAVNSBCWFRE-MRXNPFEDSA-N 1 2 294.370 1.063 20 30 CDEDLO C#Cc1cncc(C(=O)N[C@H]2C[N@@H+](CCF)CC[C@@H]2C)c1 ZINC000968317012 613222183 /nfs/dbraw/zinc/22/21/83/613222183.db2.gz HUXULLGIOCECRX-WFASDCNBSA-N 1 2 289.354 1.473 20 30 CDEDLO C#Cc1cncc(C(=O)N[C@H]2C[N@H+](CCF)CC[C@@H]2C)c1 ZINC000968317012 613222185 /nfs/dbraw/zinc/22/21/85/613222185.db2.gz HUXULLGIOCECRX-WFASDCNBSA-N 1 2 289.354 1.473 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2nc(Cl)cs2)C1 ZINC000968015160 613250957 /nfs/dbraw/zinc/25/09/57/613250957.db2.gz INSXFIPQBCYFEV-UWVGGRQHSA-N 1 2 297.811 1.870 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2nc(Cl)cs2)C1 ZINC000968015160 613250958 /nfs/dbraw/zinc/25/09/58/613250958.db2.gz INSXFIPQBCYFEV-UWVGGRQHSA-N 1 2 297.811 1.870 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC000968258006 613333624 /nfs/dbraw/zinc/33/36/24/613333624.db2.gz XXBLZSNEOPBITI-JQWIXIFHSA-N 1 2 280.347 1.565 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC000968258006 613333626 /nfs/dbraw/zinc/33/36/26/613333626.db2.gz XXBLZSNEOPBITI-JQWIXIFHSA-N 1 2 280.347 1.565 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2[nH]ncc2F)C(C)(C)C1 ZINC000975013918 613342507 /nfs/dbraw/zinc/34/25/07/613342507.db2.gz HKUZAKMGFJWZAG-NSHDSACASA-N 1 2 280.347 1.565 20 30 CDEDLO C=C(C)C[N@H+]1C[C@H](NC(=O)c2[nH]ncc2F)C(C)(C)C1 ZINC000975013918 613342508 /nfs/dbraw/zinc/34/25/08/613342508.db2.gz HKUZAKMGFJWZAG-NSHDSACASA-N 1 2 280.347 1.565 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)c2c[nH]c(=O)n2C)CC1 ZINC000981753605 613374254 /nfs/dbraw/zinc/37/42/54/613374254.db2.gz INONDJGBKPLQSD-UHFFFAOYSA-N 1 2 298.774 1.026 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)c2c[nH]c(=O)n2C)CC1 ZINC000981753605 613374255 /nfs/dbraw/zinc/37/42/55/613374255.db2.gz INONDJGBKPLQSD-UHFFFAOYSA-N 1 2 298.774 1.026 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H](C)c2ccco2)CC1 ZINC000957354786 613563288 /nfs/dbraw/zinc/56/32/88/613563288.db2.gz ZERSEKFEJPJJRW-AWEZNQCLSA-N 1 2 274.364 1.941 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2cccc3cc[nH]c32)CC1 ZINC000950630833 613568362 /nfs/dbraw/zinc/56/83/62/613568362.db2.gz NAGVUACRPYDITK-UHFFFAOYSA-N 1 2 281.359 1.949 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](F)C(C)C)C2)C1 ZINC000972501101 613570153 /nfs/dbraw/zinc/57/01/53/613570153.db2.gz AJZWCTKYGKGIFL-HOCLYGCPSA-N 1 2 296.386 1.307 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](F)C(C)C)C2)C1 ZINC000972501101 613570155 /nfs/dbraw/zinc/57/01/55/613570155.db2.gz AJZWCTKYGKGIFL-HOCLYGCPSA-N 1 2 296.386 1.307 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C3CC3)C2)C1 ZINC000972324232 613570200 /nfs/dbraw/zinc/57/02/00/613570200.db2.gz NMAMVBVVMAWSKX-PBHICJAKSA-N 1 2 290.407 1.359 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C3CC3)C2)C1 ZINC000972324232 613570203 /nfs/dbraw/zinc/57/02/03/613570203.db2.gz NMAMVBVVMAWSKX-PBHICJAKSA-N 1 2 290.407 1.359 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2c[nH]c3ncccc23)C1 ZINC000957396795 613656665 /nfs/dbraw/zinc/65/66/65/613656665.db2.gz DHTIWDURMYXURC-UHFFFAOYSA-N 1 2 284.363 1.895 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cccc3nccnc32)C1 ZINC000957036353 613657833 /nfs/dbraw/zinc/65/78/33/613657833.db2.gz ASSHFXUUHIMZMU-UHFFFAOYSA-N 1 2 296.374 1.962 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)OC)CC1 ZINC000957712118 613710445 /nfs/dbraw/zinc/71/04/45/613710445.db2.gz KNBDSADFXHTOPD-MRXNPFEDSA-N 1 2 288.391 1.574 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](OC)C2)CC1 ZINC000948948105 613713268 /nfs/dbraw/zinc/71/32/68/613713268.db2.gz FPFGYCYYLUEMBR-QWHCGFSZSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(-c3ccn(C)c3)n[nH]2)CC1 ZINC000948702603 613714588 /nfs/dbraw/zinc/71/45/88/613714588.db2.gz AEFCZKNSFWYCQQ-UHFFFAOYSA-N 1 2 299.378 1.359 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3cccnn32)CC1 ZINC000951553607 613716133 /nfs/dbraw/zinc/71/61/33/613716133.db2.gz UJDXOILCWPKZKE-UHFFFAOYSA-N 1 2 270.336 1.278 20 30 CDEDLO C#C[C@H]1CCCCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000891511907 617453268 /nfs/dbraw/zinc/45/32/68/617453268.db2.gz DLDXFEJEJUIXDP-AWEZNQCLSA-N 1 2 293.411 1.295 20 30 CDEDLO CC(=O)N1CCC[N@H+](Cc2csc(C#N)c2)CC1 ZINC000891534400 617464981 /nfs/dbraw/zinc/46/49/81/617464981.db2.gz CXHTXOWJXAKHMS-UHFFFAOYSA-N 1 2 263.366 1.674 20 30 CDEDLO CC(=O)N1CCC[N@@H+](Cc2csc(C#N)c2)CC1 ZINC000891534400 617464984 /nfs/dbraw/zinc/46/49/84/617464984.db2.gz CXHTXOWJXAKHMS-UHFFFAOYSA-N 1 2 263.366 1.674 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C)c2)C1 ZINC000891607210 617501506 /nfs/dbraw/zinc/50/15/06/617501506.db2.gz SJWVFKZKBCRCRS-HNNXBMFYSA-N 1 2 299.374 1.147 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C)c2)C1 ZINC000891607210 617501509 /nfs/dbraw/zinc/50/15/09/617501509.db2.gz SJWVFKZKBCRCRS-HNNXBMFYSA-N 1 2 299.374 1.147 20 30 CDEDLO CCc1cnc(C[NH2+][C@@H]2CCN(C(=O)C#CC3CC3)C2)o1 ZINC000968627156 615707356 /nfs/dbraw/zinc/70/73/56/615707356.db2.gz PUHITYQULPMFLC-CYBMUJFWSA-N 1 2 287.363 1.341 20 30 CDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H]1CO ZINC000934021202 617861284 /nfs/dbraw/zinc/86/12/84/617861284.db2.gz DMTOMVKJJOUDEA-JOYOIKCWSA-N 1 2 293.754 1.605 20 30 CDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H]1CO ZINC000934021202 617861290 /nfs/dbraw/zinc/86/12/90/617861290.db2.gz DMTOMVKJJOUDEA-JOYOIKCWSA-N 1 2 293.754 1.605 20 30 CDEDLO CCCCCCCNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000858111430 617998013 /nfs/dbraw/zinc/99/80/13/617998013.db2.gz FTLYDCWYSJQLKH-ZDUSSCGKSA-N 1 2 271.405 1.587 20 30 CDEDLO CCCCCCCNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000858111430 617998017 /nfs/dbraw/zinc/99/80/17/617998017.db2.gz FTLYDCWYSJQLKH-ZDUSSCGKSA-N 1 2 271.405 1.587 20 30 CDEDLO N#CCN1CC[NH+](Cc2ccc3oc(=O)oc3c2)CC1 ZINC000893992832 618234581 /nfs/dbraw/zinc/23/45/81/618234581.db2.gz LTKOJBLDXCJSDY-UHFFFAOYSA-N 1 2 273.292 1.027 20 30 CDEDLO N#CCN1CC[NH+](C/C=C/c2cccc(F)c2)CC1 ZINC000893993798 618234987 /nfs/dbraw/zinc/23/49/87/618234987.db2.gz VHVPSZICRRBVOK-DUXPYHPUSA-N 1 2 259.328 1.980 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910776449 618498387 /nfs/dbraw/zinc/49/83/87/618498387.db2.gz HAAZOQVKVCGRRC-HNNXBMFYSA-N 1 2 298.386 1.512 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910776449 618498392 /nfs/dbraw/zinc/49/83/92/618498392.db2.gz HAAZOQVKVCGRRC-HNNXBMFYSA-N 1 2 298.386 1.512 20 30 CDEDLO COc1cc(F)c(C[NH2+][C@@H]2CCCN(O)C2=O)cc1OC ZINC000895158081 619373840 /nfs/dbraw/zinc/37/38/40/619373840.db2.gz WHCLEVRPQBHDDZ-LLVKDONJSA-N 1 2 298.314 1.313 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2ccccc2Br)CCCN1O ZINC000895165586 619393521 /nfs/dbraw/zinc/39/35/21/619393521.db2.gz LOWJEYGGMNDILA-LLVKDONJSA-N 1 2 299.168 1.919 20 30 CDEDLO CCc1nn(C)c(Cl)c1C[NH2+][C@@H]1CCCN(O)C1=O ZINC000895166038 619395619 /nfs/dbraw/zinc/39/56/19/619395619.db2.gz OMKPKJNROHKEKE-SNVBAGLBSA-N 1 2 286.763 1.106 20 30 CDEDLO CCc1onc(C)c1C[NH2+][C@@H]1CCCN(O)C1=O ZINC000895193898 619443637 /nfs/dbraw/zinc/44/36/37/619443637.db2.gz WBTAILZXDNLMTG-SNVBAGLBSA-N 1 2 253.302 1.015 20 30 CDEDLO CCc1nc(C#N)cc(N[C@H](CC)C[NH+]2CCOCC2)n1 ZINC000895801967 619851792 /nfs/dbraw/zinc/85/17/92/619851792.db2.gz WYKCHYRMOHQTJN-GFCCVEGCSA-N 1 2 289.383 1.433 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)Nc1nccc(C)c1C#N ZINC000895802762 619852329 /nfs/dbraw/zinc/85/23/29/619852329.db2.gz XNCCTJGBQHODPD-ZDUSSCGKSA-N 1 2 274.368 1.784 20 30 CDEDLO N#Cc1cnc(NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)s1 ZINC000896495494 620117683 /nfs/dbraw/zinc/11/76/83/620117683.db2.gz RFYBWHDMBQXOKF-LLVKDONJSA-N 1 2 276.365 1.970 20 30 CDEDLO N#Cc1cnc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)s1 ZINC000896495494 620117685 /nfs/dbraw/zinc/11/76/85/620117685.db2.gz RFYBWHDMBQXOKF-LLVKDONJSA-N 1 2 276.365 1.970 20 30 CDEDLO CCn1c[nH+]c2c1CCN(c1nccnc1C#N)C2 ZINC000896660613 620181195 /nfs/dbraw/zinc/18/11/95/620181195.db2.gz RTNMYLBNUSCIER-UHFFFAOYSA-N 1 2 254.297 1.127 20 30 CDEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)c1 ZINC000898503556 621778782 /nfs/dbraw/zinc/77/87/82/621778782.db2.gz VOHPBZFJJAFZEM-AWEZNQCLSA-N 1 2 275.327 1.227 20 30 CDEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](CCF)C2)c1 ZINC000898503556 621778784 /nfs/dbraw/zinc/77/87/84/621778784.db2.gz VOHPBZFJJAFZEM-AWEZNQCLSA-N 1 2 275.327 1.227 20 30 CDEDLO CCn1c[nH+]cc1/C=C\C(=O)c1cn(C(C)C)nn1 ZINC000901530712 624319735 /nfs/dbraw/zinc/31/97/35/624319735.db2.gz QMKXTRHWVVMCIG-WAYWQWQTSA-N 1 2 259.313 1.972 20 30 CDEDLO COc1cn(C[N@@H+]2CCC[C@H](C#N)C2)c(C)cc1=O ZINC000902381792 624738552 /nfs/dbraw/zinc/73/85/52/624738552.db2.gz GISAZBSTOMIZSY-GFCCVEGCSA-N 1 2 261.325 1.358 20 30 CDEDLO COc1cn(C[N@H+]2CCC[C@H](C#N)C2)c(C)cc1=O ZINC000902381792 624738562 /nfs/dbraw/zinc/73/85/62/624738562.db2.gz GISAZBSTOMIZSY-GFCCVEGCSA-N 1 2 261.325 1.358 20 30 CDEDLO C[C@H](C#N)OCC[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000801913385 624764911 /nfs/dbraw/zinc/76/49/11/624764911.db2.gz UUBVQVKPHITNCB-GFCCVEGCSA-N 1 2 293.392 1.435 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC000906738647 627393118 /nfs/dbraw/zinc/39/31/18/627393118.db2.gz KVYYQLAVDDXKQD-ZFWWWQNUSA-N 1 2 289.379 1.981 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)c1ccsc1C#N ZINC000907306696 627586620 /nfs/dbraw/zinc/58/66/20/627586620.db2.gz DTHDBMKYJGRIIM-UHFFFAOYSA-N 1 2 260.322 1.326 20 30 CDEDLO C#C[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)[C@H]1CCCO1 ZINC000907485908 627686506 /nfs/dbraw/zinc/68/65/06/627686506.db2.gz GVRRBIAPPRNPKT-ZIAGYGMSSA-N 1 2 272.348 1.917 20 30 CDEDLO C=CCCC(=O)[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC000908657109 628318540 /nfs/dbraw/zinc/31/85/40/628318540.db2.gz HCLLFSWZDKIQFX-ZDUSSCGKSA-N 1 2 275.352 1.489 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000912395420 629981609 /nfs/dbraw/zinc/98/16/09/629981609.db2.gz VIJMULYGEMKGNN-LXTVHRRPSA-N 1 2 296.411 1.193 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000912395420 629981610 /nfs/dbraw/zinc/98/16/10/629981610.db2.gz VIJMULYGEMKGNN-LXTVHRRPSA-N 1 2 296.411 1.193 20 30 CDEDLO Cc1cc(=O)nc(NN=C2CCN(c3cccc[nH+]3)CC2)[nH]1 ZINC000915932669 631870975 /nfs/dbraw/zinc/87/09/75/631870975.db2.gz YURBFIJGEISRSG-UHFFFAOYSA-N 1 2 298.350 1.954 20 30 CDEDLO C[C@H](NC(=O)N1CCC[C@@H](C#N)C1)[C@H](C)[NH+]1CCOCC1 ZINC000917015410 632125899 /nfs/dbraw/zinc/12/58/99/632125899.db2.gz HZTNDVMNAUXFFI-IHRRRGAJSA-N 1 2 294.399 1.041 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H](C#N)C1CCCC1 ZINC000921549319 633072982 /nfs/dbraw/zinc/07/29/82/633072982.db2.gz XAJKSMLDLUUHHR-ZDUSSCGKSA-N 1 2 260.341 1.551 20 30 CDEDLO N#Cc1ccc(CNc2cc3c(c[nH+]2)OCC(=O)N3)s1 ZINC001170200557 1162305822 /nfs/dbraw/zinc/30/58/22/1162305822.db2.gz UPQLDGRDLBPXBA-UHFFFAOYSA-N 1 2 286.316 1.958 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nccc(C)n3)C[C@H]21 ZINC001114006169 1162399941 /nfs/dbraw/zinc/39/99/41/1162399941.db2.gz XHMYOWUBALUCTL-VIKVFOODSA-N 1 2 286.379 1.298 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nccc(C)n3)C[C@H]21 ZINC001114006169 1162399945 /nfs/dbraw/zinc/39/99/45/1162399945.db2.gz XHMYOWUBALUCTL-VIKVFOODSA-N 1 2 286.379 1.298 20 30 CDEDLO Cc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)C)no1 ZINC001114237494 1162458082 /nfs/dbraw/zinc/45/80/82/1162458082.db2.gz NDVJGPCPVVVXAF-FOLVSLTJSA-N 1 2 287.363 1.189 20 30 CDEDLO Cc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)C)no1 ZINC001114237494 1162458084 /nfs/dbraw/zinc/45/80/84/1162458084.db2.gz NDVJGPCPVVVXAF-FOLVSLTJSA-N 1 2 287.363 1.189 20 30 CDEDLO Cc1cnc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)C)o1 ZINC001114237679 1162458199 /nfs/dbraw/zinc/45/81/99/1162458199.db2.gz QIUQNXQASRSLRP-VIKVFOODSA-N 1 2 287.363 1.189 20 30 CDEDLO Cc1cnc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)C)o1 ZINC001114237679 1162458201 /nfs/dbraw/zinc/45/82/01/1162458201.db2.gz QIUQNXQASRSLRP-VIKVFOODSA-N 1 2 287.363 1.189 20 30 CDEDLO C#CCCS(=O)(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000808286994 1162832261 /nfs/dbraw/zinc/83/22/61/1162832261.db2.gz GKLABGFYHXKJIH-UHFFFAOYSA-N 1 2 296.392 1.492 20 30 CDEDLO CC1(C)C[N@H+](CC(=O)NCCC#N)Cc2ccccc2O1 ZINC000808791159 1162912873 /nfs/dbraw/zinc/91/28/73/1162912873.db2.gz LBMQKINCFCWZBA-UHFFFAOYSA-N 1 2 287.363 1.689 20 30 CDEDLO CC1(C)C[N@@H+](CC(=O)NCCC#N)Cc2ccccc2O1 ZINC000808791159 1162912880 /nfs/dbraw/zinc/91/28/80/1162912880.db2.gz LBMQKINCFCWZBA-UHFFFAOYSA-N 1 2 287.363 1.689 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1[nH]nc2c1CCCC2 ZINC001027994931 1159778595 /nfs/dbraw/zinc/77/85/95/1159778595.db2.gz BSXALAAQFPWXLK-LBPRGKRZSA-N 1 2 286.379 1.116 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]nc2c1CCCC2 ZINC001027994931 1159778600 /nfs/dbraw/zinc/77/86/00/1159778600.db2.gz BSXALAAQFPWXLK-LBPRGKRZSA-N 1 2 286.379 1.116 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1ccncn1 ZINC001483343963 1160909379 /nfs/dbraw/zinc/90/93/79/1160909379.db2.gz MIUGTIQGORQPFR-GFCCVEGCSA-N 1 2 296.802 1.598 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCc1ccncn1 ZINC001483343963 1160909384 /nfs/dbraw/zinc/90/93/84/1160909384.db2.gz MIUGTIQGORQPFR-GFCCVEGCSA-N 1 2 296.802 1.598 20 30 CDEDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)Nc1ccc(C#N)nc1 ZINC001113155572 1162116684 /nfs/dbraw/zinc/11/66/84/1162116684.db2.gz QIFNEWARZOYDON-WDEREUQCSA-N 1 2 298.350 1.224 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2(CC=C)CCOCC2)CC1 ZINC001113588494 1162230576 /nfs/dbraw/zinc/23/05/76/1162230576.db2.gz OUJPPZKSLLPRLW-UHFFFAOYSA-N 1 2 278.396 1.690 20 30 CDEDLO Cc1cnn([C@H]2CC[N@H+](Cn3ccc(C)c(C#N)c3=O)C2)c1 ZINC000811800815 1163533721 /nfs/dbraw/zinc/53/37/21/1163533721.db2.gz XQNJTNBSRYSVCA-AWEZNQCLSA-N 1 2 297.362 1.438 20 30 CDEDLO Cc1cnn([C@H]2CC[N@@H+](Cn3ccc(C)c(C#N)c3=O)C2)c1 ZINC000811800815 1163533726 /nfs/dbraw/zinc/53/37/26/1163533726.db2.gz XQNJTNBSRYSVCA-AWEZNQCLSA-N 1 2 297.362 1.438 20 30 CDEDLO N#Cc1cccc(CNc2ccc[nH+]c2N2CCOCC2)n1 ZINC000877163583 1165985754 /nfs/dbraw/zinc/98/57/54/1165985754.db2.gz SCFWOXJCLQJRFZ-UHFFFAOYSA-N 1 2 295.346 1.797 20 30 CDEDLO C#CCCN1CC[NH+](CCOc2cccc(F)c2)CC1 ZINC000127388553 1166261202 /nfs/dbraw/zinc/26/12/02/1166261202.db2.gz URUQRASSNZYBCI-UHFFFAOYSA-N 1 2 276.355 1.845 20 30 CDEDLO C=CCCC(=O)NCCC[NH2+]CC(F)(F)C(F)F ZINC001155594024 1167249084 /nfs/dbraw/zinc/24/90/84/1167249084.db2.gz WTRIIINLKLKFQI-UHFFFAOYSA-N 1 2 270.270 1.949 20 30 CDEDLO CN(C)c1cc(Cn2cc(C#N)ccc2=O)cc[nH+]1 ZINC001307354254 1167457993 /nfs/dbraw/zinc/45/79/93/1167457993.db2.gz WRKDNBCIUKFBNK-UHFFFAOYSA-N 1 2 254.293 1.229 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001361731356 1167519959 /nfs/dbraw/zinc/51/99/59/1167519959.db2.gz IMDPTNCUNQNQTM-LLVKDONJSA-N 1 2 283.335 1.938 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)[C@H](CC#N)c1ccccc1 ZINC001595740860 1174214655 /nfs/dbraw/zinc/21/46/55/1174214655.db2.gz FVTMUVBMFKOTKA-CQSZACIVSA-N 1 2 268.320 1.734 20 30 CDEDLO CC#CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001602894388 1175445493 /nfs/dbraw/zinc/44/54/93/1175445493.db2.gz ZEDOVAGZWAAFRA-UHFFFAOYSA-N 1 2 286.295 1.230 20 30 CDEDLO CC#CC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001602894388 1175445500 /nfs/dbraw/zinc/44/55/00/1175445500.db2.gz ZEDOVAGZWAAFRA-UHFFFAOYSA-N 1 2 286.295 1.230 20 30 CDEDLO CCn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)[C@@H](C)CC#N ZINC001772188036 1181705100 /nfs/dbraw/zinc/70/51/00/1181705100.db2.gz PJVFHNSUUXDUGU-NWDGAFQWSA-N 1 2 276.388 1.803 20 30 CDEDLO CCn1c([C@H]2CCC[N@H+]2C)nnc1N(C)[C@@H](C)CC#N ZINC001772188036 1181705107 /nfs/dbraw/zinc/70/51/07/1181705107.db2.gz PJVFHNSUUXDUGU-NWDGAFQWSA-N 1 2 276.388 1.803 20 30 CDEDLO C=CCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(CC)no1 ZINC001732326666 1182905788 /nfs/dbraw/zinc/90/57/88/1182905788.db2.gz YOAIUICXFSEJRA-GFCCVEGCSA-N 1 2 292.383 1.679 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCCC[N@H+](C)Cc1cnon1 ZINC001752056166 1184812040 /nfs/dbraw/zinc/81/20/40/1184812040.db2.gz NUCRBLOSAWPDQG-CQSZACIVSA-N 1 2 280.372 1.610 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCCC[N@@H+](C)Cc1cnon1 ZINC001752056166 1184812047 /nfs/dbraw/zinc/81/20/47/1184812047.db2.gz NUCRBLOSAWPDQG-CQSZACIVSA-N 1 2 280.372 1.610 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@H](C)[NH2+]Cc1cnsn1 ZINC001752891640 1184953310 /nfs/dbraw/zinc/95/33/10/1184953310.db2.gz OCAJEFYCRJFRIB-VIFPVBQESA-N 1 2 268.386 1.345 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cscc1C ZINC001753047089 1185017324 /nfs/dbraw/zinc/01/73/24/1185017324.db2.gz YHDVQSONLMMILE-UHFFFAOYSA-N 1 2 295.408 1.020 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cscc1C ZINC001753047089 1185017332 /nfs/dbraw/zinc/01/73/32/1185017332.db2.gz YHDVQSONLMMILE-UHFFFAOYSA-N 1 2 295.408 1.020 20 30 CDEDLO C#CCN1CC[NH+](CCN(C)C(=O)C(C)(C)CCC)CC1 ZINC001753343557 1185162349 /nfs/dbraw/zinc/16/23/49/1185162349.db2.gz UYHJOSOGKLOXBR-UHFFFAOYSA-N 1 2 293.455 1.522 20 30 CDEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)CC1CCCC1 ZINC001753344311 1185162771 /nfs/dbraw/zinc/16/27/71/1185162771.db2.gz ZNALOAKQRXBVNV-UHFFFAOYSA-N 1 2 292.427 1.166 20 30 CDEDLO C=CCOCC(=O)NC1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001753372919 1185173830 /nfs/dbraw/zinc/17/38/30/1185173830.db2.gz FSIWCVOATJTNHO-UHFFFAOYSA-N 1 2 299.374 1.671 20 30 CDEDLO C=CCC1(C(=O)NC2C[NH+]([C@H](C)COC)C2)CCOCC1 ZINC001753391746 1185182071 /nfs/dbraw/zinc/18/20/71/1185182071.db2.gz CKCAVHDOVBDQFN-CYBMUJFWSA-N 1 2 296.411 1.195 20 30 CDEDLO CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@H]1CCN(CC#N)C1 ZINC001753459595 1185220303 /nfs/dbraw/zinc/22/03/03/1185220303.db2.gz RRWRTASMXVKNMG-KGLIPLIRSA-N 1 2 289.383 1.281 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C=C(C)C)C1 ZINC001753646671 1185284322 /nfs/dbraw/zinc/28/43/22/1185284322.db2.gz VNONNJUQYIEXOY-ZDUSSCGKSA-N 1 2 252.358 1.346 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C=C(C)C)C1 ZINC001753646671 1185284328 /nfs/dbraw/zinc/28/43/28/1185284328.db2.gz VNONNJUQYIEXOY-ZDUSSCGKSA-N 1 2 252.358 1.346 20 30 CDEDLO C=C(Cl)C[NH2+]C/C=C/CNC(=O)C(F)C(F)(F)F ZINC001754123669 1185475492 /nfs/dbraw/zinc/47/54/92/1185475492.db2.gz RJFOAQWSYAVKOJ-SGJFDWMWSA-N 1 2 288.672 1.901 20 30 CDEDLO C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@H](F)C(F)(F)F ZINC001754123669 1185475495 /nfs/dbraw/zinc/47/54/95/1185475495.db2.gz RJFOAQWSYAVKOJ-SGJFDWMWSA-N 1 2 288.672 1.901 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N[C@H](C)C[NH2+]Cc1nc(CC)no1 ZINC001754241599 1185526291 /nfs/dbraw/zinc/52/62/91/1185526291.db2.gz NMICOBPDSDFUBK-IAQYHMDHSA-N 1 2 294.399 1.829 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1(C(F)(F)F)CC1 ZINC001754495784 1185642981 /nfs/dbraw/zinc/64/29/81/1185642981.db2.gz RGRQWTFVWVQYGI-VIFPVBQESA-N 1 2 260.259 1.153 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1(C(F)(F)F)CC1 ZINC001754495784 1185642984 /nfs/dbraw/zinc/64/29/84/1185642984.db2.gz RGRQWTFVWVQYGI-VIFPVBQESA-N 1 2 260.259 1.153 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2CCOC[C@H]2C)C1 ZINC001754581295 1185673655 /nfs/dbraw/zinc/67/36/55/1185673655.db2.gz XZUOMQMHXYHVBX-UKRRQHHQSA-N 1 2 296.411 1.004 20 30 CDEDLO C#CCC[NH+]1CC(O)(CNC(=O)C2CCC3(CC3)CC2)C1 ZINC001754770225 1185727259 /nfs/dbraw/zinc/72/72/59/1185727259.db2.gz BLPQDPVQQUMDBB-UHFFFAOYSA-N 1 2 290.407 1.143 20 30 CDEDLO C#CCCCCC(=O)NCC1(O)C[NH+](CC[C@@H](C)F)C1 ZINC001754773799 1185728562 /nfs/dbraw/zinc/72/85/62/1185728562.db2.gz CRWYYJLRMPZQPI-CYBMUJFWSA-N 1 2 284.375 1.091 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C1(C)CC1 ZINC001754967999 1185772326 /nfs/dbraw/zinc/77/23/26/1185772326.db2.gz VBTYTYPTRKEODT-GFCCVEGCSA-N 1 2 252.358 1.180 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C1(C)CC1 ZINC001754967999 1185772331 /nfs/dbraw/zinc/77/23/31/1185772331.db2.gz VBTYTYPTRKEODT-GFCCVEGCSA-N 1 2 252.358 1.180 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cnon2)CC1 ZINC001755028100 1185791330 /nfs/dbraw/zinc/79/13/30/1185791330.db2.gz LJEDSSVOFRDEQJ-GFCCVEGCSA-N 1 2 292.383 1.753 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cnon2)CC1 ZINC001755028100 1185791334 /nfs/dbraw/zinc/79/13/34/1185791334.db2.gz LJEDSSVOFRDEQJ-GFCCVEGCSA-N 1 2 292.383 1.753 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(CCF)CC1)CO2 ZINC001755063516 1185803701 /nfs/dbraw/zinc/80/37/01/1185803701.db2.gz NJUHNCJBBPJQQC-CYBMUJFWSA-N 1 2 294.370 1.109 20 30 CDEDLO C#CC[N@H+]1CCCCC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001755363897 1185928051 /nfs/dbraw/zinc/92/80/51/1185928051.db2.gz OQWZYVSGGUCRAF-WDEREUQCSA-N 1 2 294.292 1.881 20 30 CDEDLO C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001755363897 1185928056 /nfs/dbraw/zinc/92/80/56/1185928056.db2.gz OQWZYVSGGUCRAF-WDEREUQCSA-N 1 2 294.292 1.881 20 30 CDEDLO C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC001755363897 1185928062 /nfs/dbraw/zinc/92/80/62/1185928062.db2.gz OQWZYVSGGUCRAF-WDEREUQCSA-N 1 2 294.292 1.881 20 30 CDEDLO C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC001755363897 1185928068 /nfs/dbraw/zinc/92/80/68/1185928068.db2.gz OQWZYVSGGUCRAF-WDEREUQCSA-N 1 2 294.292 1.881 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c1nc(C)no1 ZINC001755585215 1186003185 /nfs/dbraw/zinc/00/31/85/1186003185.db2.gz MEOYANVUPVBROC-RYUDHWBXSA-N 1 2 292.383 1.679 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](CO)[NH2+]Cc1cscn1 ZINC001755635106 1186019404 /nfs/dbraw/zinc/01/94/04/1186019404.db2.gz SSGRQYOLDQEXGY-NSHDSACASA-N 1 2 297.424 1.312 20 30 CDEDLO C#CC(C)(C)[N@H+](C)CC(=O)Nc1nnc(C(C)C)s1 ZINC000794575513 1164497839 /nfs/dbraw/zinc/49/78/39/1164497839.db2.gz YKPDCTUYHFOBOM-UHFFFAOYSA-N 1 2 280.397 1.944 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CCNc1cccnc1C#N ZINC000872771710 1165476211 /nfs/dbraw/zinc/47/62/11/1165476211.db2.gz KSQUGDZASHCRIF-LBPRGKRZSA-N 1 2 260.341 1.476 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CCNc1cccnc1C#N ZINC000872771710 1165476215 /nfs/dbraw/zinc/47/62/15/1165476215.db2.gz KSQUGDZASHCRIF-LBPRGKRZSA-N 1 2 260.341 1.476 20 30 CDEDLO C[C@H](CCC#N)C[NH2+]c1ccc(N2CCNC(=O)C2)cc1 ZINC000876821903 1165921889 /nfs/dbraw/zinc/92/18/89/1165921889.db2.gz RUYPVFORYNYVRG-CYBMUJFWSA-N 1 2 286.379 1.975 20 30 CDEDLO N#Cc1cccc2c1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001626960368 1165969095 /nfs/dbraw/zinc/96/90/95/1165969095.db2.gz UFLQGPVYFAIKRY-UHFFFAOYSA-N 1 2 252.277 1.413 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC001137120274 1166045194 /nfs/dbraw/zinc/04/51/94/1166045194.db2.gz AEDHFDMQJGZFSX-UHFFFAOYSA-N 1 2 269.348 1.340 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2ccc(COC)o2)C1 ZINC001030644932 912314153 /nfs/dbraw/zinc/31/41/53/912314153.db2.gz MFDCSOQRMUYEEV-UHFFFAOYSA-N 1 2 264.325 1.416 20 30 CDEDLO COC(=O)CC[C@H]([NH2+]C1CCC(CC#N)CC1)C(=O)OC ZINC001173328126 912426507 /nfs/dbraw/zinc/42/65/07/912426507.db2.gz OMNPJHJBPFYTEW-BPCQOVAHSA-N 1 2 296.367 1.543 20 30 CDEDLO CCOC(=O)[C@@H]1CC12CCC([N@H+](C)CC#N)CC2 ZINC001173618957 912651067 /nfs/dbraw/zinc/65/10/67/912651067.db2.gz UZJKKJCSEFGYFJ-LXVYMNJGSA-N 1 2 250.342 1.954 20 30 CDEDLO CCOC(=O)[C@@H]1CC12CCC([N@@H+](C)CC#N)CC2 ZINC001173618957 912651072 /nfs/dbraw/zinc/65/10/72/912651072.db2.gz UZJKKJCSEFGYFJ-LXVYMNJGSA-N 1 2 250.342 1.954 20 30 CDEDLO C#CC[C@H]([NH2+][C@H]1CC[C@@H](CC(=O)OCC)C1)C(=O)OC ZINC001173638634 912685836 /nfs/dbraw/zinc/68/58/36/912685836.db2.gz YRJOJCUHNCMAFW-AGIUHOORSA-N 1 2 281.352 1.263 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2sccc2-n2cccc2)C1 ZINC001030766109 912706217 /nfs/dbraw/zinc/70/62/17/912706217.db2.gz PAZHDXOTKHEUJK-UHFFFAOYSA-N 1 2 299.399 1.976 20 30 CDEDLO CC(=O)N1CCC([N@H+](C)Cc2ccc(C#N)cc2O)CC1 ZINC001233385975 912798042 /nfs/dbraw/zinc/79/80/42/912798042.db2.gz ABGXHSPPAZLUAF-UHFFFAOYSA-N 1 2 287.363 1.707 20 30 CDEDLO CC(=O)N1CCC([N@@H+](C)Cc2ccc(C#N)cc2O)CC1 ZINC001233385975 912798060 /nfs/dbraw/zinc/79/80/60/912798060.db2.gz ABGXHSPPAZLUAF-UHFFFAOYSA-N 1 2 287.363 1.707 20 30 CDEDLO C=C1CCC(C(=O)NC2C[NH+](C[C@H](C)OC)C2)CC1 ZINC001030899917 913045830 /nfs/dbraw/zinc/04/58/30/913045830.db2.gz JUCMEANXSVQUPE-LBPRGKRZSA-N 1 2 266.385 1.568 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2ccccc2COC)C1 ZINC001031088705 913571070 /nfs/dbraw/zinc/57/10/70/913571070.db2.gz HSQLSSAZCWEVBN-UHFFFAOYSA-N 1 2 274.364 1.362 20 30 CDEDLO CCc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)on1 ZINC001203224694 913626369 /nfs/dbraw/zinc/62/63/69/913626369.db2.gz BSHFIXYSCDXQEW-UHFFFAOYSA-N 1 2 297.362 1.826 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccn[nH]2)[C@@H]1C ZINC000993068835 913712440 /nfs/dbraw/zinc/71/24/40/913712440.db2.gz JKMCVICTUUPFKE-QWRGUYRKSA-N 1 2 282.775 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccn[nH]2)[C@@H]1C ZINC000993068835 913712450 /nfs/dbraw/zinc/71/24/50/913712450.db2.gz JKMCVICTUUPFKE-QWRGUYRKSA-N 1 2 282.775 1.745 20 30 CDEDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCCC1OCCO1 ZINC000120230048 894108480 /nfs/dbraw/zinc/10/84/80/894108480.db2.gz YZHAPNZQSCHKGJ-UHFFFAOYSA-N 1 2 284.743 1.934 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(NC(C)=O)ccc1C ZINC001039099082 894601024 /nfs/dbraw/zinc/60/10/24/894601024.db2.gz TWNXPCKRKQMUBP-HNNXBMFYSA-N 1 2 299.374 1.391 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(NC(C)=O)ccc1C ZINC001039099082 894601029 /nfs/dbraw/zinc/60/10/29/894601029.db2.gz TWNXPCKRKQMUBP-HNNXBMFYSA-N 1 2 299.374 1.391 20 30 CDEDLO Nc1ccccc1C(NO)=[NH+]c1cnn(C(F)(F)F)c1 ZINC001210364715 895224299 /nfs/dbraw/zinc/22/42/99/895224299.db2.gz JEFKHULSLNABJZ-UHFFFAOYSA-N 1 2 285.229 1.999 20 30 CDEDLO C[C@@H](CCNc1ncccc1C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001106598642 914057397 /nfs/dbraw/zinc/05/73/97/914057397.db2.gz MXHFSRYMOPDPBD-NSHDSACASA-N 1 2 298.350 1.226 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC34CCCC4)[C@H]2C1 ZINC001083240096 896728610 /nfs/dbraw/zinc/72/86/10/896728610.db2.gz QQHKYHJIWMNLBC-QLFBSQMISA-N 1 2 288.391 1.112 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC34CCCC4)[C@H]2C1 ZINC001083240096 896728618 /nfs/dbraw/zinc/72/86/18/896728618.db2.gz QQHKYHJIWMNLBC-QLFBSQMISA-N 1 2 288.391 1.112 20 30 CDEDLO C#CCOCCC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000161292255 896888106 /nfs/dbraw/zinc/88/81/06/896888106.db2.gz FRQJEEFZJKMYPS-UHFFFAOYSA-N 1 2 261.325 1.434 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1coc(C(C)(C)C)n1 ZINC001038240957 896978303 /nfs/dbraw/zinc/97/83/03/896978303.db2.gz MRFONIPBRZLOCL-NSHDSACASA-N 1 2 277.368 1.962 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(C(C)(C)C)n1 ZINC001038240957 896978312 /nfs/dbraw/zinc/97/83/12/896978312.db2.gz MRFONIPBRZLOCL-NSHDSACASA-N 1 2 277.368 1.962 20 30 CDEDLO Cc1ncc(C#N)cc1NC(=O)CCn1cc[nH+]c1 ZINC001176873363 914320483 /nfs/dbraw/zinc/32/04/83/914320483.db2.gz JKLXDBIRBMKEQA-UHFFFAOYSA-N 1 2 255.281 1.487 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccc(OC)cc2)C1 ZINC001031301648 914363800 /nfs/dbraw/zinc/36/38/00/914363800.db2.gz JPYCFRHIRONVFA-UHFFFAOYSA-N 1 2 274.364 1.614 20 30 CDEDLO CCN(CCNc1ncccc1C#N)C(=O)Cc1[nH]cc[nH+]1 ZINC001106829109 914383819 /nfs/dbraw/zinc/38/38/19/914383819.db2.gz CKJPPINOHKHWNL-UHFFFAOYSA-N 1 2 298.350 1.179 20 30 CDEDLO CNC(=O)c1ccc(C[N@H+](CCC#N)C2CC2)cc1 ZINC000025188429 900028372 /nfs/dbraw/zinc/02/83/72/900028372.db2.gz FGWQIHIHFHZQLV-UHFFFAOYSA-N 1 2 257.337 1.924 20 30 CDEDLO CNC(=O)c1ccc(C[N@@H+](CCC#N)C2CC2)cc1 ZINC000025188429 900028386 /nfs/dbraw/zinc/02/83/86/900028386.db2.gz FGWQIHIHFHZQLV-UHFFFAOYSA-N 1 2 257.337 1.924 20 30 CDEDLO Cc1cnc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)o1 ZINC001027335152 900436802 /nfs/dbraw/zinc/43/68/02/900436802.db2.gz CJPRLYPSKHKUST-YPMHNXCESA-N 1 2 290.367 1.566 20 30 CDEDLO Cc1cnc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)o1 ZINC001027335152 900436808 /nfs/dbraw/zinc/43/68/08/900436808.db2.gz CJPRLYPSKHKUST-YPMHNXCESA-N 1 2 290.367 1.566 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccon2)C1 ZINC001027330326 900437064 /nfs/dbraw/zinc/43/70/64/900437064.db2.gz NIIAXEWPBFKLSN-DGCLKSJQSA-N 1 2 276.340 1.257 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccon2)C1 ZINC001027330326 900437067 /nfs/dbraw/zinc/43/70/67/900437067.db2.gz NIIAXEWPBFKLSN-DGCLKSJQSA-N 1 2 276.340 1.257 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)n(C)n1 ZINC001027776736 900809200 /nfs/dbraw/zinc/80/92/00/900809200.db2.gz XTSHUMAZQYIWOR-GFCCVEGCSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)n(C)n1 ZINC001027776736 900809201 /nfs/dbraw/zinc/80/92/01/900809201.db2.gz XTSHUMAZQYIWOR-GFCCVEGCSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1n[nH]cc1C ZINC001027868181 900906402 /nfs/dbraw/zinc/90/64/02/900906402.db2.gz JJUPKUJNQOZQEH-LLVKDONJSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1n[nH]cc1C ZINC001027868181 900906417 /nfs/dbraw/zinc/90/64/17/900906417.db2.gz JJUPKUJNQOZQEH-LLVKDONJSA-N 1 2 282.775 1.665 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2ccon2)C1 ZINC001010329427 901320620 /nfs/dbraw/zinc/32/06/20/901320620.db2.gz BWUOIMSPKMGIFO-AWEZNQCLSA-N 1 2 296.330 1.551 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2ccon2)C1 ZINC001010329427 901320631 /nfs/dbraw/zinc/32/06/31/901320631.db2.gz BWUOIMSPKMGIFO-AWEZNQCLSA-N 1 2 296.330 1.551 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(C)c2C)C1 ZINC001031337660 914533210 /nfs/dbraw/zinc/53/32/10/914533210.db2.gz BWSQUMZSPCRENM-UHFFFAOYSA-N 1 2 256.349 1.741 20 30 CDEDLO C=CC[N@@H+](CC(=O)N1CCO[C@H](C)C1)Cc1cccs1 ZINC000054116730 901401565 /nfs/dbraw/zinc/40/15/65/901401565.db2.gz HBWLZWXIIWKNMT-CYBMUJFWSA-N 1 2 294.420 1.983 20 30 CDEDLO C=CC[N@H+](CC(=O)N1CCO[C@H](C)C1)Cc1cccs1 ZINC000054116730 901401569 /nfs/dbraw/zinc/40/15/69/901401569.db2.gz HBWLZWXIIWKNMT-CYBMUJFWSA-N 1 2 294.420 1.983 20 30 CDEDLO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1c[nH]nn1)C2 ZINC001203199598 902018810 /nfs/dbraw/zinc/01/88/10/902018810.db2.gz JCROQYUUKSCHGN-HUUCEWRRSA-N 1 2 292.383 1.378 20 30 CDEDLO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1c[nH]nn1)C2 ZINC001203199598 902018816 /nfs/dbraw/zinc/01/88/16/902018816.db2.gz JCROQYUUKSCHGN-HUUCEWRRSA-N 1 2 292.383 1.378 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC001031380461 914586464 /nfs/dbraw/zinc/58/64/64/914586464.db2.gz RRWSRLZCDYQOTP-UHFFFAOYSA-N 1 2 270.376 1.704 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)C1 ZINC001031418131 914621428 /nfs/dbraw/zinc/62/14/28/914621428.db2.gz SXSSEMQCEZUJBH-KRWDZBQOSA-N 1 2 298.386 1.431 20 30 CDEDLO CO/N=C(\C(=O)NCCOc1cc[nH+]cc1)c1ccco1 ZINC001177356031 914638791 /nfs/dbraw/zinc/63/87/91/914638791.db2.gz DRECVQCRHGRLLJ-LGMDPLHJSA-N 1 2 289.291 1.220 20 30 CDEDLO CC(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031503133 914683519 /nfs/dbraw/zinc/68/35/19/914683519.db2.gz XQTZMEMPMDBNJO-UHFFFAOYSA-N 1 2 261.300 1.265 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccnn2CC)C1 ZINC001031633197 914837280 /nfs/dbraw/zinc/83/72/80/914837280.db2.gz QYOSCJFSFBEGQZ-UHFFFAOYSA-N 1 2 282.775 1.317 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/Cl ZINC001029242858 905227743 /nfs/dbraw/zinc/22/77/43/905227743.db2.gz NDNPURYSOLUBRO-OKESPHGKSA-N 1 2 267.760 1.574 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/Cl ZINC001029242858 905227753 /nfs/dbraw/zinc/22/77/53/905227753.db2.gz NDNPURYSOLUBRO-OKESPHGKSA-N 1 2 267.760 1.574 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)NC ZINC001029422033 905863638 /nfs/dbraw/zinc/86/36/38/905863638.db2.gz RJJDSJQDEUHHBX-RWMBFGLXSA-N 1 2 293.411 1.008 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)NC ZINC001029422033 905863648 /nfs/dbraw/zinc/86/36/48/905863648.db2.gz RJJDSJQDEUHHBX-RWMBFGLXSA-N 1 2 293.411 1.008 20 30 CDEDLO C#CCCCC(=O)NCc1cnn2c1C[N@H+](CCC)CC2 ZINC001128327558 921270000 /nfs/dbraw/zinc/27/00/00/921270000.db2.gz SLJNFEYTCCLMDX-UHFFFAOYSA-N 1 2 288.395 1.528 20 30 CDEDLO C#CCCCC(=O)NCc1cnn2c1C[N@@H+](CCC)CC2 ZINC001128327558 921270007 /nfs/dbraw/zinc/27/00/07/921270007.db2.gz SLJNFEYTCCLMDX-UHFFFAOYSA-N 1 2 288.395 1.528 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CCCC2)[C@@H](O)C1 ZINC001090005180 921307492 /nfs/dbraw/zinc/30/74/92/921307492.db2.gz BBXWDTLECAFVTL-OLZOCXBDSA-N 1 2 286.803 1.481 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CCCC2)[C@@H](O)C1 ZINC001090005180 921307494 /nfs/dbraw/zinc/30/74/94/921307494.db2.gz BBXWDTLECAFVTL-OLZOCXBDSA-N 1 2 286.803 1.481 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC2(C1)OCCO2 ZINC000160604808 907270179 /nfs/dbraw/zinc/27/01/79/907270179.db2.gz CUGPUUREJMEZLX-ZDUSSCGKSA-N 1 2 280.368 1.024 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC2(C1)OCCO2 ZINC000160604808 907270194 /nfs/dbraw/zinc/27/01/94/907270194.db2.gz CUGPUUREJMEZLX-ZDUSSCGKSA-N 1 2 280.368 1.024 20 30 CDEDLO C[C@@H]1[C@H]([NH2+]Cc2csnn2)CCN1C(=O)C#CC1CC1 ZINC000986283696 907463221 /nfs/dbraw/zinc/46/32/21/907463221.db2.gz YEAKGBMEFMBXRP-ZWNOBZJWSA-N 1 2 290.392 1.031 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnc(C)cn2)C1 ZINC001032877927 921463458 /nfs/dbraw/zinc/46/34/58/921463458.db2.gz ASTOMFHRBVDYPJ-GFCCVEGCSA-N 1 2 294.786 1.684 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc(C)cn2)C1 ZINC001032877927 921463459 /nfs/dbraw/zinc/46/34/59/921463459.db2.gz ASTOMFHRBVDYPJ-GFCCVEGCSA-N 1 2 294.786 1.684 20 30 CDEDLO Cc1cc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC#N)c(C)[nH+]1 ZINC001097567021 936313334 /nfs/dbraw/zinc/31/33/34/936313334.db2.gz VOZGYKJKMAANFN-KFWWJZLASA-N 1 2 298.390 1.866 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([N@H+](C)CC=C(Cl)Cl)C1 ZINC001189401527 921475377 /nfs/dbraw/zinc/47/53/77/921475377.db2.gz YBJLWISVRVLNQT-UWVGGRQHSA-N 1 2 290.194 1.998 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)CC=C(Cl)Cl)C1 ZINC001189401527 921475384 /nfs/dbraw/zinc/47/53/84/921475384.db2.gz YBJLWISVRVLNQT-UWVGGRQHSA-N 1 2 290.194 1.998 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(C)c2)C1 ZINC001032895018 921476339 /nfs/dbraw/zinc/47/63/39/921476339.db2.gz GLBONKZXLNHBNT-GFCCVEGCSA-N 1 2 282.775 1.319 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(C)c2)C1 ZINC001032895018 921476345 /nfs/dbraw/zinc/47/63/45/921476345.db2.gz GLBONKZXLNHBNT-GFCCVEGCSA-N 1 2 282.775 1.319 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2coc(OC)n2)[C@H]1C ZINC001088775449 909385523 /nfs/dbraw/zinc/38/55/23/909385523.db2.gz VDOAUUIJIHDSQI-ZJUUUORDSA-N 1 2 299.758 1.628 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2coc(OC)n2)[C@H]1C ZINC001088775449 909385542 /nfs/dbraw/zinc/38/55/42/909385542.db2.gz VDOAUUIJIHDSQI-ZJUUUORDSA-N 1 2 299.758 1.628 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)n2cccn2)C1 ZINC001032932854 921508123 /nfs/dbraw/zinc/50/81/23/921508123.db2.gz UVTFRTMPWAHCQC-OLZOCXBDSA-N 1 2 296.802 1.729 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)n2cccn2)C1 ZINC001032932854 921508138 /nfs/dbraw/zinc/50/81/38/921508138.db2.gz UVTFRTMPWAHCQC-OLZOCXBDSA-N 1 2 296.802 1.729 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccnc1C(F)F ZINC001038495353 909622513 /nfs/dbraw/zinc/62/25/13/909622513.db2.gz CQBQWCUNZZROND-LLVKDONJSA-N 1 2 293.317 1.847 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccnc1C(F)F ZINC001038495353 909622527 /nfs/dbraw/zinc/62/25/27/909622527.db2.gz CQBQWCUNZZROND-LLVKDONJSA-N 1 2 293.317 1.847 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2csc(COC)n2)C1 ZINC001044362718 921545010 /nfs/dbraw/zinc/54/50/10/921545010.db2.gz LIUOSGQEFCDBLU-UHFFFAOYSA-N 1 2 295.408 1.622 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)NCCNc1ccc(C#N)c(C)n1 ZINC001093776347 910158965 /nfs/dbraw/zinc/15/89/65/910158965.db2.gz BKEUVPVLDZFUSK-UHFFFAOYSA-N 1 2 298.350 1.064 20 30 CDEDLO CCn1nncc1C[NH2+]Cc1cc(C#N)ccc1F ZINC000922474242 921624998 /nfs/dbraw/zinc/62/49/98/921624998.db2.gz YQZQNSOQMJPYDS-UHFFFAOYSA-N 1 2 259.288 1.599 20 30 CDEDLO C=CCCC(=O)N1C[C@H]2C[N@H+](Cc3cnon3)C[C@@]2(C)C1 ZINC001101167876 911112011 /nfs/dbraw/zinc/11/20/11/911112011.db2.gz YRNJQDOYBFCZLY-DOMZBBRYSA-N 1 2 290.367 1.316 20 30 CDEDLO C=CCCC(=O)N1C[C@H]2C[N@@H+](Cc3cnon3)C[C@@]2(C)C1 ZINC001101167876 911112018 /nfs/dbraw/zinc/11/20/18/911112018.db2.gz YRNJQDOYBFCZLY-DOMZBBRYSA-N 1 2 290.367 1.316 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001030342701 911694141 /nfs/dbraw/zinc/69/41/41/911694141.db2.gz VYDPEQRKQXHYNG-VNHYZAJKSA-N 1 2 258.365 1.412 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccn3c2CCCC3)C1 ZINC001030458951 911863510 /nfs/dbraw/zinc/86/35/10/911863510.db2.gz OCJOQZCLAAKEGT-UHFFFAOYSA-N 1 2 273.380 1.815 20 30 CDEDLO C=CC[C@H]([NH2+][C@@H](C)CCC(=O)OC(C)C)C(=O)OC ZINC001172743718 911892831 /nfs/dbraw/zinc/89/28/31/911892831.db2.gz HGSOQCJNPCIUMD-RYUDHWBXSA-N 1 2 271.357 1.814 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(-c3cnco3)cc2)C1 ZINC001030535034 911989779 /nfs/dbraw/zinc/98/97/79/911989779.db2.gz IKIXGNSEWWCGJV-UHFFFAOYSA-N 1 2 295.342 1.779 20 30 CDEDLO C=CCOc1ccccc1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030542169 912012749 /nfs/dbraw/zinc/01/27/49/912012749.db2.gz QOXGRVJGCHRXPN-GFCCVEGCSA-N 1 2 290.363 1.046 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1CCC[C@H](OC)C1 ZINC001172915604 912055508 /nfs/dbraw/zinc/05/55/08/912055508.db2.gz FJYRUWKECPBZMN-DCAQKATOSA-N 1 2 261.387 1.395 20 30 CDEDLO N#Cc1c(N)nn(-c2ccc(Cn3cc[nH+]c3)cc2)c1N ZINC001212694341 912111659 /nfs/dbraw/zinc/11/16/59/912111659.db2.gz WIRNHHMZOXFJCI-UHFFFAOYSA-N 1 2 279.307 1.153 20 30 CDEDLO Cc1c[nH]c(CCNC(=O)[C@@H](C#N)Cc2cccs2)[nH+]1 ZINC001177917239 915023675 /nfs/dbraw/zinc/02/36/75/915023675.db2.gz QNNTXMZYKCKAJU-LLVKDONJSA-N 1 2 288.376 1.821 20 30 CDEDLO N#C[C@@H](NC(=O)Cc1cc[nH+]c(N)c1)c1ccccc1 ZINC001181230325 916938728 /nfs/dbraw/zinc/93/87/28/916938728.db2.gz OPNTUKLUXLLRKL-CYBMUJFWSA-N 1 2 266.304 1.587 20 30 CDEDLO Cc1noc(NC(=O)Cc2cc[nH+]c(N)c2)c1C#N ZINC001181230507 916938887 /nfs/dbraw/zinc/93/88/87/916938887.db2.gz RUVZOEMFPXXPCM-UHFFFAOYSA-N 1 2 257.253 1.013 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)c(C#N)c1 ZINC001137699556 936390802 /nfs/dbraw/zinc/39/08/02/936390802.db2.gz LNNGBKOXGMXMLI-CVEARBPZSA-N 1 2 290.363 1.132 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@@H](O)[C@](C)(CO)C2)c(C#N)c1 ZINC001137699556 936390807 /nfs/dbraw/zinc/39/08/07/936390807.db2.gz LNNGBKOXGMXMLI-CVEARBPZSA-N 1 2 290.363 1.132 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1ccoc1)CCO2 ZINC001053231397 936411297 /nfs/dbraw/zinc/41/12/97/936411297.db2.gz QZLVOOIMHDTKLJ-UHFFFAOYSA-N 1 2 290.363 1.311 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCO1)O2 ZINC001053564560 936415243 /nfs/dbraw/zinc/41/52/43/936415243.db2.gz CUSAXHGNACVTSO-UONOGXRCSA-N 1 2 294.395 1.091 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC1(C)C)O2 ZINC001053593923 936416155 /nfs/dbraw/zinc/41/61/55/936416155.db2.gz YTMQGPVEDRJXMC-KGLIPLIRSA-N 1 2 292.423 1.958 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@]1(C)C=CCC1)CO2 ZINC001053895336 936422129 /nfs/dbraw/zinc/42/21/29/936422129.db2.gz DSLMBQQJSHEXSH-GDBMZVCRSA-N 1 2 290.407 1.878 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cnc(C)n2C)C1 ZINC001031926276 917359892 /nfs/dbraw/zinc/35/98/92/917359892.db2.gz YJPJBHKYZYOXAB-UHFFFAOYSA-N 1 2 282.775 1.143 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cccs1)CO2 ZINC001053727777 936418430 /nfs/dbraw/zinc/41/84/30/936418430.db2.gz GWQGTWROTGLTBS-LBPRGKRZSA-N 1 2 292.404 1.897 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1CCCCC1)CO2 ZINC001053725519 936418791 /nfs/dbraw/zinc/41/87/91/936418791.db2.gz JTFFOHCBKDEDCR-HNNXBMFYSA-N 1 2 290.407 1.550 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C=C1CCC1)CO2 ZINC001053775143 936420088 /nfs/dbraw/zinc/42/00/88/936420088.db2.gz QVGJFOJSELRGKY-CQSZACIVSA-N 1 2 274.364 1.080 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc[nH]c1C)CO2 ZINC001053768963 936420492 /nfs/dbraw/zinc/42/04/92/936420492.db2.gz NVTMYGMWENVVAX-ZDUSSCGKSA-N 1 2 289.379 1.472 20 30 CDEDLO N#CCCNC(=O)C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000829887502 936437882 /nfs/dbraw/zinc/43/78/82/936437882.db2.gz MKBNEBABROUIRP-UHFFFAOYSA-N 1 2 270.336 1.201 20 30 CDEDLO N#CCCNC(=O)C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000829887502 936437883 /nfs/dbraw/zinc/43/78/83/936437883.db2.gz MKBNEBABROUIRP-UHFFFAOYSA-N 1 2 270.336 1.201 20 30 CDEDLO Cc1nc(NC/C=C\CNC(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001107078639 917978131 /nfs/dbraw/zinc/97/81/31/917978131.db2.gz MGVOJOSVHNGXOY-XOULXFPDSA-N 1 2 259.313 1.029 20 30 CDEDLO CCCCCCCCS(=O)(=O)N[C@H]1C[NH2+]CCC1=O ZINC001238627096 918193592 /nfs/dbraw/zinc/19/35/92/918193592.db2.gz JXGDPTLMOZMYGH-LBPRGKRZSA-N 1 2 290.429 1.197 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nnc(C)o2)C1 ZINC001182947216 918219664 /nfs/dbraw/zinc/21/96/64/918219664.db2.gz QNYDFTAOOAUZEV-DGCLKSJQSA-N 1 2 292.383 1.986 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)coc1C ZINC001032384860 918932768 /nfs/dbraw/zinc/93/27/68/918932768.db2.gz WOCFOOZQXDXYFA-STQMWFEESA-N 1 2 258.321 1.428 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)coc1C ZINC001032384860 918932778 /nfs/dbraw/zinc/93/27/78/918932778.db2.gz WOCFOOZQXDXYFA-STQMWFEESA-N 1 2 258.321 1.428 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2coc(CC)n2)C1 ZINC001107887228 918993047 /nfs/dbraw/zinc/99/30/47/918993047.db2.gz UBBSTSBPWJBRPL-HNNXBMFYSA-N 1 2 293.367 1.244 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2coc(CC)n2)C1 ZINC001107887228 918993067 /nfs/dbraw/zinc/99/30/67/918993067.db2.gz UBBSTSBPWJBRPL-HNNXBMFYSA-N 1 2 293.367 1.244 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2ccnnc2)CC1 ZINC001001196919 936548637 /nfs/dbraw/zinc/54/86/37/936548637.db2.gz ABUVYJFAXGOOJB-UHFFFAOYSA-N 1 2 292.770 1.591 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2ccnnc2)CC1 ZINC001001196919 936548639 /nfs/dbraw/zinc/54/86/39/936548639.db2.gz ABUVYJFAXGOOJB-UHFFFAOYSA-N 1 2 292.770 1.591 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)c1ccncc1 ZINC001032473150 919176840 /nfs/dbraw/zinc/17/68/40/919176840.db2.gz DFRLWQZGHYTTNZ-KBMXLJTQSA-N 1 2 283.375 1.494 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)c1ccncc1 ZINC001032473150 919176853 /nfs/dbraw/zinc/17/68/53/919176853.db2.gz DFRLWQZGHYTTNZ-KBMXLJTQSA-N 1 2 283.375 1.494 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccccn1 ZINC001050789490 936564320 /nfs/dbraw/zinc/56/43/20/936564320.db2.gz JLIPPZDNKKCQFP-ZDUSSCGKSA-N 1 2 275.352 1.088 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccccn1 ZINC001050789490 936564321 /nfs/dbraw/zinc/56/43/21/936564321.db2.gz JLIPPZDNKKCQFP-ZDUSSCGKSA-N 1 2 275.352 1.088 20 30 CDEDLO Cc1nc(N[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001057594758 936564496 /nfs/dbraw/zinc/56/44/96/936564496.db2.gz VYKDLCLOVUTVOB-PWSUYJOCSA-N 1 2 273.340 1.348 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccncc1C ZINC001050918027 936567128 /nfs/dbraw/zinc/56/71/28/936567128.db2.gz RUNZYVMMHMOJAG-CQSZACIVSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccncc1C ZINC001050918027 936567131 /nfs/dbraw/zinc/56/71/31/936567131.db2.gz RUNZYVMMHMOJAG-CQSZACIVSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1[nH]c(C)nc1C ZINC001051121954 936568811 /nfs/dbraw/zinc/56/88/11/936568811.db2.gz YKLXMTWLVSZZNU-ZDUSSCGKSA-N 1 2 292.383 1.033 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1[nH]c(C)nc1C ZINC001051121954 936568813 /nfs/dbraw/zinc/56/88/13/936568813.db2.gz YKLXMTWLVSZZNU-ZDUSSCGKSA-N 1 2 292.383 1.033 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)ccc1C ZINC001032547609 919372857 /nfs/dbraw/zinc/37/28/57/919372857.db2.gz IQSBQYORGKEWJI-KBPBESRZSA-N 1 2 272.323 1.666 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)ccc1C ZINC001032547609 919372873 /nfs/dbraw/zinc/37/28/73/919372873.db2.gz IQSBQYORGKEWJI-KBPBESRZSA-N 1 2 272.323 1.666 20 30 CDEDLO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(Cl)cs1 ZINC001032589078 919450462 /nfs/dbraw/zinc/45/04/62/919450462.db2.gz WQCGUONPVDNLRF-UWVGGRQHSA-N 1 2 295.795 1.719 20 30 CDEDLO C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(Cl)cs1 ZINC001032589078 919450473 /nfs/dbraw/zinc/45/04/73/919450473.db2.gz WQCGUONPVDNLRF-UWVGGRQHSA-N 1 2 295.795 1.719 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000827435447 936592491 /nfs/dbraw/zinc/59/24/91/936592491.db2.gz JHOGSGRTJZPSCI-UHFFFAOYSA-N 1 2 293.455 1.827 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccncc1Cl ZINC001032647427 919678211 /nfs/dbraw/zinc/67/82/11/919678211.db2.gz VSYIYLSATPPOJS-RYUDHWBXSA-N 1 2 289.766 1.657 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccncc1Cl ZINC001032647427 919678228 /nfs/dbraw/zinc/67/82/28/919678228.db2.gz VSYIYLSATPPOJS-RYUDHWBXSA-N 1 2 289.766 1.657 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnoc1C1CC1 ZINC001032711877 919732632 /nfs/dbraw/zinc/73/26/32/919732632.db2.gz TWRSJAYHKCKJLN-STQMWFEESA-N 1 2 285.347 1.474 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnoc1C1CC1 ZINC001032711877 919732640 /nfs/dbraw/zinc/73/26/40/919732640.db2.gz TWRSJAYHKCKJLN-STQMWFEESA-N 1 2 285.347 1.474 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cc1cc(F)ncc1F ZINC000827827381 936609075 /nfs/dbraw/zinc/60/90/75/936609075.db2.gz TYZNZWLJDAEEHG-UHFFFAOYSA-N 1 2 254.280 1.832 20 30 CDEDLO C#CCC[N@H+](CCOC)Cc1cc(F)ncc1F ZINC000827827381 936609078 /nfs/dbraw/zinc/60/90/78/936609078.db2.gz TYZNZWLJDAEEHG-UHFFFAOYSA-N 1 2 254.280 1.832 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)CNc1ccc(C#N)cc1 ZINC000356785521 919866818 /nfs/dbraw/zinc/86/68/18/919866818.db2.gz UXMBMMJOTPWHLH-UHFFFAOYSA-N 1 2 269.308 1.020 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2cncs2)C1 ZINC001108008201 919940515 /nfs/dbraw/zinc/94/05/15/919940515.db2.gz NDCRNDWIFMHIKG-CQSZACIVSA-N 1 2 295.408 1.079 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2cncs2)C1 ZINC001108008201 919940523 /nfs/dbraw/zinc/94/05/23/919940523.db2.gz NDCRNDWIFMHIKG-CQSZACIVSA-N 1 2 295.408 1.079 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccn1CC ZINC001032786234 920073562 /nfs/dbraw/zinc/07/35/62/920073562.db2.gz UYLFZWPFMXENRX-KBPBESRZSA-N 1 2 271.364 1.430 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccn1CC ZINC001032786234 920073572 /nfs/dbraw/zinc/07/35/72/920073572.db2.gz UYLFZWPFMXENRX-KBPBESRZSA-N 1 2 271.364 1.430 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(CC)s2)C1 ZINC001078260710 920189724 /nfs/dbraw/zinc/18/97/24/920189724.db2.gz PZLODGJHJFHKMW-GHMZBOCLSA-N 1 2 295.408 1.057 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(CC)s2)C1 ZINC001078260710 920189734 /nfs/dbraw/zinc/18/97/34/920189734.db2.gz PZLODGJHJFHKMW-GHMZBOCLSA-N 1 2 295.408 1.057 20 30 CDEDLO N#Cc1cc(F)cc(NC(=O)NCCn2cc[nH+]c2)c1 ZINC001413609821 936637300 /nfs/dbraw/zinc/63/73/00/936637300.db2.gz AUGDKXHUZSDXSC-UHFFFAOYSA-N 1 2 273.271 1.716 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cccc(OCC)c2)CC1 ZINC001138101315 936638459 /nfs/dbraw/zinc/63/84/59/936638459.db2.gz WYQRODSLRFIOHL-UHFFFAOYSA-N 1 2 258.365 1.836 20 30 CDEDLO COC(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001139646700 936633880 /nfs/dbraw/zinc/63/38/80/936633880.db2.gz FPZWMXVAYIMQGJ-UHFFFAOYSA-N 1 2 291.326 1.971 20 30 CDEDLO COC(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001139646700 936633882 /nfs/dbraw/zinc/63/38/82/936633882.db2.gz FPZWMXVAYIMQGJ-UHFFFAOYSA-N 1 2 291.326 1.971 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C)on3)C[C@H]21 ZINC001187191541 920398752 /nfs/dbraw/zinc/39/87/52/920398752.db2.gz LONYQZLVJXJDRA-DZGCQCFKSA-N 1 2 289.379 1.982 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(C)on3)C[C@H]21 ZINC001187191541 920398768 /nfs/dbraw/zinc/39/87/68/920398768.db2.gz LONYQZLVJXJDRA-DZGCQCFKSA-N 1 2 289.379 1.982 20 30 CDEDLO C#CCOc1ccccc1C[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC000392335220 936664057 /nfs/dbraw/zinc/66/40/57/936664057.db2.gz GWMFGAWTLZACDL-NSHDSACASA-N 1 2 270.336 1.976 20 30 CDEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCC2CC2)CC1 ZINC001070949718 936669233 /nfs/dbraw/zinc/66/92/33/936669233.db2.gz TYMWGNIIQQMSMD-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCC2CC2)CC1 ZINC001070949718 936669235 /nfs/dbraw/zinc/66/92/35/936669235.db2.gz TYMWGNIIQQMSMD-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO 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C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)[C@@H](O)C1 ZINC001090255221 922793861 /nfs/dbraw/zinc/79/38/61/922793861.db2.gz NTKLQOOZCAABSD-KGLIPLIRSA-N 1 2 298.814 1.791 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)[C@@H](O)C1 ZINC001090255221 922793870 /nfs/dbraw/zinc/79/38/70/922793870.db2.gz NTKLQOOZCAABSD-KGLIPLIRSA-N 1 2 298.814 1.791 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccsc2)C1 ZINC001035279649 922951554 /nfs/dbraw/zinc/95/15/54/922951554.db2.gz NYJVDFQYEQUFNH-ZDUSSCGKSA-N 1 2 280.393 1.755 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccsc2)C1 ZINC001035279649 922951563 /nfs/dbraw/zinc/95/15/63/922951563.db2.gz NYJVDFQYEQUFNH-ZDUSSCGKSA-N 1 2 280.393 1.755 20 30 CDEDLO COc1cc(O)c(C[N@@H+]2CC[C@@H](C#N)C2)c(OC)c1 ZINC001141029685 936794068 /nfs/dbraw/zinc/79/40/68/936794068.db2.gz ZVTITGDLKZKPSL-JTQLQIEISA-N 1 2 262.309 1.755 20 30 CDEDLO COc1cc(O)c(C[N@H+]2CC[C@@H](C#N)C2)c(OC)c1 ZINC001141029685 936794070 /nfs/dbraw/zinc/79/40/70/936794070.db2.gz 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/nfs/dbraw/zinc/97/73/18/922977318.db2.gz CNHQZOLCAPAPBT-ZDUSSCGKSA-N 1 2 292.354 1.751 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc[nH]c2CC)C1 ZINC001035362765 922977437 /nfs/dbraw/zinc/97/74/37/922977437.db2.gz SCNZJMAGPMYEHE-GFCCVEGCSA-N 1 2 277.368 1.194 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc[nH]c2CC)C1 ZINC001035362765 922977447 /nfs/dbraw/zinc/97/74/47/922977447.db2.gz SCNZJMAGPMYEHE-GFCCVEGCSA-N 1 2 277.368 1.194 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCOCC2)C1 ZINC001035354802 922978017 /nfs/dbraw/zinc/97/80/17/922978017.db2.gz XDRYXFOCIPSOOW-CABCVRRESA-N 1 2 296.411 1.196 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCOCC2)C1 ZINC001035354802 922978025 /nfs/dbraw/zinc/97/80/25/922978025.db2.gz XDRYXFOCIPSOOW-CABCVRRESA-N 1 2 296.411 1.196 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCC(C)C)[C@H](O)C1 ZINC001099662969 936798286 /nfs/dbraw/zinc/79/82/86/936798286.db2.gz HIPRBYDOXZATBS-CHWSQXEVSA-N 1 2 288.819 1.727 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCC(C)C)[C@H](O)C1 ZINC001099662969 936798288 /nfs/dbraw/zinc/79/82/88/936798288.db2.gz HIPRBYDOXZATBS-CHWSQXEVSA-N 1 2 288.819 1.727 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cccc3cc[nH]c32)C1 ZINC001035520579 923000339 /nfs/dbraw/zinc/00/03/39/923000339.db2.gz SEMYGUSXGXTPCN-CQSZACIVSA-N 1 2 299.374 1.785 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cccc3cc[nH]c32)C1 ZINC001035520579 923000354 /nfs/dbraw/zinc/00/03/54/923000354.db2.gz SEMYGUSXGXTPCN-CQSZACIVSA-N 1 2 299.374 1.785 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC23CC3)C1 ZINC001035520392 923001121 /nfs/dbraw/zinc/00/11/21/923001121.db2.gz BANFLKVYHIUKDO-OLZOCXBDSA-N 1 2 264.369 1.180 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC23CC3)C1 ZINC001035520392 923001137 /nfs/dbraw/zinc/00/11/37/923001137.db2.gz BANFLKVYHIUKDO-OLZOCXBDSA-N 1 2 264.369 1.180 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2CCC=CCC2)C1 ZINC001035606603 923015682 /nfs/dbraw/zinc/01/56/82/923015682.db2.gz 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/nfs/dbraw/zinc/93/02/78/936930278.db2.gz DWBWKPFLNZUOJN-GFCCVEGCSA-N 1 2 257.337 1.816 20 30 CDEDLO C=CCN1CCN(C[N@@H+]2CCCC[C@H]2C2OCCO2)C1=O ZINC000840001754 936932037 /nfs/dbraw/zinc/93/20/37/936932037.db2.gz COQSKZZFMDSYQT-ZDUSSCGKSA-N 1 2 295.383 1.095 20 30 CDEDLO C=CCN1CCN(C[N@H+]2CCCC[C@H]2C2OCCO2)C1=O ZINC000840001754 936932039 /nfs/dbraw/zinc/93/20/39/936932039.db2.gz COQSKZZFMDSYQT-ZDUSSCGKSA-N 1 2 295.383 1.095 20 30 CDEDLO CC(C)[C@H]1N(C[NH+]2CCC(C#N)CC2)C(=O)[C@@]12CCCO2 ZINC000839979795 936931714 /nfs/dbraw/zinc/93/17/14/936931714.db2.gz OMLJXQMNBIROHM-GDBMZVCRSA-N 1 2 291.395 1.595 20 30 CDEDLO C=CC[N@H+](CN1C(=O)[C@@]2(CCCO2)[C@H]1C1CC1)C1CC1 ZINC000840040801 936934397 /nfs/dbraw/zinc/93/43/97/936934397.db2.gz GLOCQQBMKGUXQH-GDBMZVCRSA-N 1 2 276.380 1.764 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)[C@@]2(CCCO2)[C@H]1C1CC1)C1CC1 ZINC000840040801 936934398 /nfs/dbraw/zinc/93/43/98/936934398.db2.gz GLOCQQBMKGUXQH-GDBMZVCRSA-N 1 2 276.380 1.764 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)C2(C)CC2)CC1 ZINC001195908246 924764101 /nfs/dbraw/zinc/76/41/01/924764101.db2.gz YXIQQWIRPHQPLR-ZDUSSCGKSA-N 1 2 293.411 1.012 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)C2(C)CC2)CC1 ZINC001195908246 924764106 /nfs/dbraw/zinc/76/41/06/924764106.db2.gz YXIQQWIRPHQPLR-ZDUSSCGKSA-N 1 2 293.411 1.012 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccoc2C(C)C)[C@H](OC)C1 ZINC001082390747 924909254 /nfs/dbraw/zinc/90/92/54/924909254.db2.gz BZWUUMLDNKVXEV-ZIAGYGMSSA-N 1 2 290.363 1.465 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccoc2C(C)C)[C@H](OC)C1 ZINC001082390747 924909258 /nfs/dbraw/zinc/90/92/58/924909258.db2.gz BZWUUMLDNKVXEV-ZIAGYGMSSA-N 1 2 290.363 1.465 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccc(Cl)c2)[C@@H](O)C1 ZINC001083984946 925120001 /nfs/dbraw/zinc/12/00/01/925120001.db2.gz GUFGFFFJPLVEET-KGLIPLIRSA-N 1 2 292.766 1.138 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(Cl)c2)[C@@H](O)C1 ZINC001083984946 925120006 /nfs/dbraw/zinc/12/00/06/925120006.db2.gz GUFGFFFJPLVEET-KGLIPLIRSA-N 1 2 292.766 1.138 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3ccns3)C[C@H]21 ZINC001084236387 925201008 /nfs/dbraw/zinc/20/10/08/925201008.db2.gz GFJKLMQMEOHHCT-NQBHXWOUSA-N 1 2 290.392 1.335 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccns3)C[C@H]21 ZINC001084236387 925201014 /nfs/dbraw/zinc/20/10/14/925201014.db2.gz GFJKLMQMEOHHCT-NQBHXWOUSA-N 1 2 290.392 1.335 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)[C@@H]1CCCO1 ZINC000775787908 925218431 /nfs/dbraw/zinc/21/84/31/925218431.db2.gz BPXZWJLDPIUUCH-KGLIPLIRSA-N 1 2 286.379 1.761 20 30 CDEDLO C#C[C@H]([NH2+]Cc1nnc(C)n1CCC)[C@@H]1CCCO1 ZINC000775787888 925249281 /nfs/dbraw/zinc/24/92/81/925249281.db2.gz BBBZYLKAXWGSRN-STQMWFEESA-N 1 2 262.357 1.267 20 30 CDEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](CCCCF)C[C@@]2(F)C1=O ZINC001273754819 925266202 /nfs/dbraw/zinc/26/62/02/925266202.db2.gz FEFNTGHOJVZRDH-UONOGXRCSA-N 1 2 290.329 1.887 20 30 CDEDLO C=C(C)CN1C[C@@]2(F)C[N@@H+](CCCCF)C[C@@]2(F)C1=O ZINC001273754819 925266206 /nfs/dbraw/zinc/26/62/06/925266206.db2.gz FEFNTGHOJVZRDH-UONOGXRCSA-N 1 2 290.329 1.887 20 30 CDEDLO CNc1ccc(Nc2cc(=O)[nH]c3c(C#N)cnn32)c[nH+]1 ZINC001203449058 925439514 /nfs/dbraw/zinc/43/95/14/925439514.db2.gz YCXAXRJEPJDYPP-UHFFFAOYSA-N 1 2 281.279 1.487 20 30 CDEDLO C=CC[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C(=O)OCC ZINC001119965132 925577074 /nfs/dbraw/zinc/57/70/74/925577074.db2.gz AFVDMOUMDYQTAJ-GFCCVEGCSA-N 1 2 287.319 1.801 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001199155023 925621622 /nfs/dbraw/zinc/62/16/22/925621622.db2.gz OYVDANKLBCWXMR-RRFJBIMHSA-N 1 2 280.412 1.243 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001199155023 925621626 /nfs/dbraw/zinc/62/16/26/925621626.db2.gz OYVDANKLBCWXMR-RRFJBIMHSA-N 1 2 280.412 1.243 20 30 CDEDLO C=C(C)C(=O)N1CCc2c(C[N@@H+](C)C(C)C)n[nH]c2C1 ZINC001142510297 937024552 /nfs/dbraw/zinc/02/45/52/937024552.db2.gz SXSIWHJGPOEXHD-UHFFFAOYSA-N 1 2 276.384 1.711 20 30 CDEDLO C=C(C)C(=O)N1CCc2c(C[N@H+](C)C(C)C)n[nH]c2C1 ZINC001142510297 937024555 /nfs/dbraw/zinc/02/45/55/937024555.db2.gz SXSIWHJGPOEXHD-UHFFFAOYSA-N 1 2 276.384 1.711 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C2CC2)n(C)n1 ZINC001085630155 926231935 /nfs/dbraw/zinc/23/19/35/926231935.db2.gz MTLOZOHHFCHTMU-CYBMUJFWSA-N 1 2 286.379 1.077 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C2CC2)n(C)n1 ZINC001085630155 926231945 /nfs/dbraw/zinc/23/19/45/926231945.db2.gz MTLOZOHHFCHTMU-CYBMUJFWSA-N 1 2 286.379 1.077 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001085654445 926253166 /nfs/dbraw/zinc/25/31/66/926253166.db2.gz PAYIEEDNLJKTBK-GFCCVEGCSA-N 1 2 299.330 1.313 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001085654445 926253176 /nfs/dbraw/zinc/25/31/76/926253176.db2.gz PAYIEEDNLJKTBK-GFCCVEGCSA-N 1 2 299.330 1.313 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cncc(COC)c1 ZINC001085647476 926257191 /nfs/dbraw/zinc/25/71/91/926257191.db2.gz LVUKBCDUAWQFNB-OAHLLOKOSA-N 1 2 287.363 1.008 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cncc(COC)c1 ZINC001085647476 926257198 /nfs/dbraw/zinc/25/71/98/926257198.db2.gz LVUKBCDUAWQFNB-OAHLLOKOSA-N 1 2 287.363 1.008 20 30 CDEDLO C#CC1CC[NH+](Cn2c3cnccc3n(C)c2=O)CC1 ZINC000842634332 937066464 /nfs/dbraw/zinc/06/64/64/937066464.db2.gz UYMAZHWALZYKMO-UHFFFAOYSA-N 1 2 270.336 1.038 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccnc1C(F)F ZINC001085712813 926313551 /nfs/dbraw/zinc/31/35/51/926313551.db2.gz TYQMLWOTAJSAAB-LLVKDONJSA-N 1 2 293.317 1.799 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccnc1C(F)F ZINC001085712813 926313556 /nfs/dbraw/zinc/31/35/56/926313556.db2.gz TYQMLWOTAJSAAB-LLVKDONJSA-N 1 2 293.317 1.799 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ocnc1CC ZINC001085809006 926412580 /nfs/dbraw/zinc/41/25/80/926412580.db2.gz SHXSBFOCNONEGK-GFCCVEGCSA-N 1 2 275.352 1.407 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ocnc1CC ZINC001085809006 926412587 /nfs/dbraw/zinc/41/25/87/926412587.db2.gz SHXSBFOCNONEGK-GFCCVEGCSA-N 1 2 275.352 1.407 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ncsc1C1CC1 ZINC001085817230 926426362 /nfs/dbraw/zinc/42/63/62/926426362.db2.gz SRNKKXUQOCXCJN-GFCCVEGCSA-N 1 2 289.404 1.800 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncsc1C1CC1 ZINC001085817230 926426365 /nfs/dbraw/zinc/42/63/65/926426365.db2.gz SRNKKXUQOCXCJN-GFCCVEGCSA-N 1 2 289.404 1.800 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc([C@@H](C)CC)no1 ZINC001085860354 926458597 /nfs/dbraw/zinc/45/85/97/926458597.db2.gz XBUKBYVQOCNYTQ-QWHCGFSZSA-N 1 2 289.379 1.968 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc([C@@H](C)CC)no1 ZINC001085860354 926458603 /nfs/dbraw/zinc/45/86/03/926458603.db2.gz XBUKBYVQOCNYTQ-QWHCGFSZSA-N 1 2 289.379 1.968 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1oc(C2CC2)nc1C ZINC001085863175 926462092 /nfs/dbraw/zinc/46/20/92/926462092.db2.gz RTXBSCHULVLTGF-ZDUSSCGKSA-N 1 2 287.363 1.640 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1oc(C2CC2)nc1C ZINC001085863175 926462098 /nfs/dbraw/zinc/46/20/98/926462098.db2.gz RTXBSCHULVLTGF-ZDUSSCGKSA-N 1 2 287.363 1.640 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)nc(C)n1 ZINC001085871981 926465620 /nfs/dbraw/zinc/46/56/20/926465620.db2.gz LHNYXWKPESMODH-CQSZACIVSA-N 1 2 286.379 1.263 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)nc(C)n1 ZINC001085871981 926465624 /nfs/dbraw/zinc/46/56/24/926465624.db2.gz LHNYXWKPESMODH-CQSZACIVSA-N 1 2 286.379 1.263 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ncccc1OCC ZINC001086004655 926590591 /nfs/dbraw/zinc/59/05/91/926590591.db2.gz LPMTVRYZYNTUBG-CYBMUJFWSA-N 1 2 287.363 1.260 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncccc1OCC ZINC001086004655 926590597 /nfs/dbraw/zinc/59/05/97/926590597.db2.gz LPMTVRYZYNTUBG-CYBMUJFWSA-N 1 2 287.363 1.260 20 30 CDEDLO C=CCCC(=O)NCCC[NH2+]Cc1nsc(N(C)C)n1 ZINC001155580187 926958847 /nfs/dbraw/zinc/95/88/47/926958847.db2.gz VENSFRFISQACCF-UHFFFAOYSA-N 1 2 297.428 1.166 20 30 CDEDLO CNC(=O)CC[N@H+](C)Cc1c(F)ccc(C#N)c1F ZINC001143170020 937127866 /nfs/dbraw/zinc/12/78/66/937127866.db2.gz BOLFHRYTMPPYEU-UHFFFAOYSA-N 1 2 267.279 1.404 20 30 CDEDLO CNC(=O)CC[N@@H+](C)Cc1c(F)ccc(C#N)c1F ZINC001143170020 937127868 /nfs/dbraw/zinc/12/78/68/937127868.db2.gz BOLFHRYTMPPYEU-UHFFFAOYSA-N 1 2 267.279 1.404 20 30 CDEDLO Cc1cnc(C#N)c(NCCc2cn3ccccc3[nH+]2)n1 ZINC001169002501 927605176 /nfs/dbraw/zinc/60/51/76/927605176.db2.gz PNDAUZWLMQWDFD-UHFFFAOYSA-N 1 2 278.319 1.959 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(N2CCOC2=O)CC1 ZINC000852724019 927855951 /nfs/dbraw/zinc/85/59/51/927855951.db2.gz OPBQGGULMXYTIB-LBPRGKRZSA-N 1 2 276.340 1.347 20 30 CDEDLO C#CCC[N@@H+](CCOC)CC(=O)c1cc(C)n(C)c1C ZINC000852751920 927861072 /nfs/dbraw/zinc/86/10/72/927861072.db2.gz OXMDQRQNAPJTMQ-UHFFFAOYSA-N 1 2 276.380 1.796 20 30 CDEDLO C#CCC[N@H+](CCOC)CC(=O)c1cc(C)n(C)c1C ZINC000852751920 927861083 /nfs/dbraw/zinc/86/10/83/927861083.db2.gz OXMDQRQNAPJTMQ-UHFFFAOYSA-N 1 2 276.380 1.796 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CNC(=O)C1 ZINC000853470812 928024083 /nfs/dbraw/zinc/02/40/83/928024083.db2.gz UFUHVXNBELIXIM-LLVKDONJSA-N 1 2 259.309 1.174 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](CN2C[C@H](c3cccnc3)CC2=O)C1 ZINC000853525295 928036530 /nfs/dbraw/zinc/03/65/30/928036530.db2.gz UVTKHZKAKXKAAN-GDBMZVCRSA-N 1 2 298.390 1.981 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](CN2C[C@H](c3cccnc3)CC2=O)C1 ZINC000853525295 928036542 /nfs/dbraw/zinc/03/65/42/928036542.db2.gz UVTKHZKAKXKAAN-GDBMZVCRSA-N 1 2 298.390 1.981 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cn1cc(Br)cn1 ZINC000853619761 928058741 /nfs/dbraw/zinc/05/87/41/928058741.db2.gz KAADDZDOYSDXOY-UHFFFAOYSA-N 1 2 286.173 1.575 20 30 CDEDLO C#CCC[N@H+](CCOC)Cn1cc(Br)cn1 ZINC000853619761 928058757 /nfs/dbraw/zinc/05/87/57/928058757.db2.gz KAADDZDOYSDXOY-UHFFFAOYSA-N 1 2 286.173 1.575 20 30 CDEDLO COc1ccc(C(=NO)Nc2cccn3cc[nH+]c23)nc1 ZINC001169601486 928214618 /nfs/dbraw/zinc/21/46/18/928214618.db2.gz WQAMBMGQICZILM-UHFFFAOYSA-N 1 2 283.291 1.986 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000112920238 928338803 /nfs/dbraw/zinc/33/88/03/928338803.db2.gz XRZPNGLLSBVQIF-VMPITWQZSA-N 1 2 299.330 1.385 20 30 CDEDLO O=C(C#Cc1ccccc1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857962791 928784213 /nfs/dbraw/zinc/78/42/13/928784213.db2.gz MQJVOESOXIYSNT-CQSZACIVSA-N 1 2 265.316 1.366 20 30 CDEDLO C#CCCC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccnn1C ZINC000859334684 929002928 /nfs/dbraw/zinc/00/29/28/929002928.db2.gz SWGRNGNUXDHOQJ-HNNXBMFYSA-N 1 2 269.352 1.504 20 30 CDEDLO C#CCCC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccnn1C ZINC000859334684 929002935 /nfs/dbraw/zinc/00/29/35/929002935.db2.gz SWGRNGNUXDHOQJ-HNNXBMFYSA-N 1 2 269.352 1.504 20 30 CDEDLO C=CCCC(=O)N1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC001112688155 929328054 /nfs/dbraw/zinc/32/80/54/929328054.db2.gz FYQOIJMYQKWMAD-OAHLLOKOSA-N 1 2 296.411 1.292 20 30 CDEDLO C=CCCC(=O)N1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC001112688153 929329842 /nfs/dbraw/zinc/32/98/42/929329842.db2.gz FYQOIJMYQKWMAD-HNNXBMFYSA-N 1 2 296.411 1.292 20 30 CDEDLO C[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H](CO)O1 ZINC000787314770 929361757 /nfs/dbraw/zinc/36/17/57/929361757.db2.gz MBYNVRMIALPPBY-WFASDCNBSA-N 1 2 276.336 1.171 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H](CO)O1 ZINC000787314770 929361764 /nfs/dbraw/zinc/36/17/64/929361764.db2.gz MBYNVRMIALPPBY-WFASDCNBSA-N 1 2 276.336 1.171 20 30 CDEDLO CC(C)CCOCC[NH+]1CCN(C(=O)C#CC2CC2)CC1 ZINC001112832286 929464966 /nfs/dbraw/zinc/46/49/66/929464966.db2.gz OQGICUBVRZJGGC-UHFFFAOYSA-N 1 2 292.423 1.607 20 30 CDEDLO C#CC[C@@H](CCOC)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000863780139 929606020 /nfs/dbraw/zinc/60/60/20/929606020.db2.gz YBAHTTWHSVBNJQ-OLZOCXBDSA-N 1 2 263.341 1.379 20 30 CDEDLO Cc1ccc(NC(=O)N2CC(C#N)C2)c(N(C)C)[nH+]1 ZINC000814677311 929788943 /nfs/dbraw/zinc/78/89/43/929788943.db2.gz DHBGISFNZFRFHF-UHFFFAOYSA-N 1 2 259.313 1.443 20 30 CDEDLO C[NH+]1CCN(N=Cc2cc(Cl)c(F)cc2O)CC1 ZINC000814684867 929790659 /nfs/dbraw/zinc/79/06/59/929790659.db2.gz DOZNHUWVTMGMLV-UHFFFAOYSA-N 1 2 271.723 1.766 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(OC(C)=O)cc2)nn1 ZINC000881203450 929794079 /nfs/dbraw/zinc/79/40/79/929794079.db2.gz XENLDZLVGMWKGX-UHFFFAOYSA-N 1 2 298.346 1.365 20 30 CDEDLO C=C(Br)Cn1cc(C[NH2+]CC#CC)nn1 ZINC000881428440 929844939 /nfs/dbraw/zinc/84/49/39/929844939.db2.gz WDNFRPUNUWHNMA-UHFFFAOYSA-N 1 2 269.146 1.300 20 30 CDEDLO C[C@H](O)CN[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000814965321 929904469 /nfs/dbraw/zinc/90/44/69/929904469.db2.gz KKILSFJOJJFECT-NSHDSACASA-N 1 2 251.330 1.574 20 30 CDEDLO C=CCNC(=O)[C@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000798895249 937371544 /nfs/dbraw/zinc/37/15/44/937371544.db2.gz VXJOQPYZJXICSA-LBPRGKRZSA-N 1 2 299.330 1.720 20 30 CDEDLO Cc1ccc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c(C#N)n1 ZINC000882350845 929982351 /nfs/dbraw/zinc/98/23/51/929982351.db2.gz LEJHHROVVVOHKN-ZIAGYGMSSA-N 1 2 286.379 1.561 20 30 CDEDLO Cc1nc(NC[C@H](C2CC2)N(C)C(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001115492154 937383205 /nfs/dbraw/zinc/38/32/05/937383205.db2.gz UEPMGNRNTUYAFK-GXFFZTMASA-N 1 2 287.367 1.594 20 30 CDEDLO C=C(C)C[C@@H](CO)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000882903374 930098357 /nfs/dbraw/zinc/09/83/57/930098357.db2.gz BDONGNHICGJBIJ-KBPBESRZSA-N 1 2 279.384 1.914 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CCCC[C@H]1C ZINC000884102831 930443810 /nfs/dbraw/zinc/44/38/10/930443810.db2.gz OBDUDPUGHSMKIA-UPJWGTAASA-N 1 2 282.384 1.376 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1C(C)(C)C ZINC000884122088 930450133 /nfs/dbraw/zinc/45/01/33/930450133.db2.gz GYUNORSICAFZNV-NWDGAFQWSA-N 1 2 282.384 1.470 20 30 CDEDLO C#CC[C@H]1CCN(c2cc(CC(=O)OC)cc[nH+]2)C1 ZINC000884595161 930602783 /nfs/dbraw/zinc/60/27/83/930602783.db2.gz AMRLCZSAEIDJMA-LBPRGKRZSA-N 1 2 258.321 1.647 20 30 CDEDLO CCCCCCCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001116058811 937429005 /nfs/dbraw/zinc/42/90/05/937429005.db2.gz XTVDZICNIILHNE-ZDUSSCGKSA-N 1 2 283.416 1.413 20 30 CDEDLO CCCCCCCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001116058811 937429009 /nfs/dbraw/zinc/42/90/09/937429009.db2.gz XTVDZICNIILHNE-ZDUSSCGKSA-N 1 2 283.416 1.413 20 30 CDEDLO C[C@@H](C(=O)Nc1cc(CC#N)ccn1)n1cc[nH+]c1 ZINC001116287744 937440616 /nfs/dbraw/zinc/44/06/16/937440616.db2.gz WIQBRDSLDJSKMO-JTQLQIEISA-N 1 2 255.281 1.544 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CC(C)(C)C)C1 ZINC000885511527 930731418 /nfs/dbraw/zinc/73/14/18/930731418.db2.gz IRMGJROYMFNCBC-GFCCVEGCSA-N 1 2 272.414 1.050 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CC(C)(C)C)C1 ZINC000885511527 930731424 /nfs/dbraw/zinc/73/14/24/930731424.db2.gz IRMGJROYMFNCBC-GFCCVEGCSA-N 1 2 272.414 1.050 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1nc(-c2ccccn2)no1 ZINC001116396687 937445806 /nfs/dbraw/zinc/44/58/06/937445806.db2.gz LUMDSFSXNKBTEE-UHFFFAOYSA-N 1 2 272.308 1.213 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1nc(-c2ccccn2)no1 ZINC001116396687 937445808 /nfs/dbraw/zinc/44/58/08/937445808.db2.gz LUMDSFSXNKBTEE-UHFFFAOYSA-N 1 2 272.308 1.213 20 30 CDEDLO COc1cc(C)c(NC[C@H](O)C[N@H+](C)CCC#N)cc1F ZINC000819470953 930807093 /nfs/dbraw/zinc/80/70/93/930807093.db2.gz AKLCQOMXOHZKLQ-LBPRGKRZSA-N 1 2 295.358 1.761 20 30 CDEDLO COc1cc(C)c(NC[C@H](O)C[N@@H+](C)CCC#N)cc1F ZINC000819470953 930807099 /nfs/dbraw/zinc/80/70/99/930807099.db2.gz AKLCQOMXOHZKLQ-LBPRGKRZSA-N 1 2 295.358 1.761 20 30 CDEDLO C=CC[N@@H+](CC)[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001153476957 937447517 /nfs/dbraw/zinc/44/75/17/937447517.db2.gz BFLCWEHUEKQRIX-RKDXNWHRSA-N 1 2 270.270 1.899 20 30 CDEDLO C=CC[N@H+](CC)[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001153476957 937447519 /nfs/dbraw/zinc/44/75/19/937447519.db2.gz BFLCWEHUEKQRIX-RKDXNWHRSA-N 1 2 270.270 1.899 20 30 CDEDLO C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001153476957 937447520 /nfs/dbraw/zinc/44/75/20/937447520.db2.gz BFLCWEHUEKQRIX-RKDXNWHRSA-N 1 2 270.270 1.899 20 30 CDEDLO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001153476957 937447522 /nfs/dbraw/zinc/44/75/22/937447522.db2.gz BFLCWEHUEKQRIX-RKDXNWHRSA-N 1 2 270.270 1.899 20 30 CDEDLO C#C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000886142829 930812022 /nfs/dbraw/zinc/81/20/22/930812022.db2.gz LWIHHVNEGRBBGQ-NWDGAFQWSA-N 1 2 261.281 1.260 20 30 CDEDLO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001153472014 937447808 /nfs/dbraw/zinc/44/78/08/937447808.db2.gz UTUHSRCXYKWBFC-ZJUUUORDSA-N 1 2 282.281 1.737 20 30 CDEDLO C#CCC[N@H+](CC)[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001153472014 937447810 /nfs/dbraw/zinc/44/78/10/937447810.db2.gz UTUHSRCXYKWBFC-ZJUUUORDSA-N 1 2 282.281 1.737 20 30 CDEDLO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](F)C(F)(F)F ZINC001153472014 937447812 /nfs/dbraw/zinc/44/78/12/937447812.db2.gz UTUHSRCXYKWBFC-ZJUUUORDSA-N 1 2 282.281 1.737 20 30 CDEDLO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](F)C(F)(F)F ZINC001153472014 937447814 /nfs/dbraw/zinc/44/78/14/937447814.db2.gz UTUHSRCXYKWBFC-ZJUUUORDSA-N 1 2 282.281 1.737 20 30 CDEDLO CC[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000886472234 930888219 /nfs/dbraw/zinc/88/82/19/930888219.db2.gz SLMFAKWWWLAQRG-ZDUSSCGKSA-N 1 2 293.392 1.273 20 30 CDEDLO CC[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000886472234 930888223 /nfs/dbraw/zinc/88/82/23/930888223.db2.gz SLMFAKWWWLAQRG-ZDUSSCGKSA-N 1 2 293.392 1.273 20 30 CDEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886815311 930966179 /nfs/dbraw/zinc/96/61/79/930966179.db2.gz BDUMGBPELJKCME-GXSJLCMTSA-N 1 2 281.274 1.351 20 30 CDEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886815311 930966186 /nfs/dbraw/zinc/96/61/86/930966186.db2.gz BDUMGBPELJKCME-GXSJLCMTSA-N 1 2 281.274 1.351 20 30 CDEDLO C=C[C@H](CO)NC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000822086465 931124389 /nfs/dbraw/zinc/12/43/89/931124389.db2.gz ZPUFYIGTVWDQRO-SNVBAGLBSA-N 1 2 264.329 1.124 20 30 CDEDLO N#CCC[NH+]1CCC2(C[C@H]2C(=O)NCc2cnoc2)CC1 ZINC001274032604 931135126 /nfs/dbraw/zinc/13/51/26/931135126.db2.gz TUPNYGMQSNVXLK-ZDUSSCGKSA-N 1 2 288.351 1.307 20 30 CDEDLO Cc1cccn2cc(CC(=O)N3CCO[C@](C)(C#N)C3)[nH+]c12 ZINC000887674369 931194385 /nfs/dbraw/zinc/19/43/85/931194385.db2.gz AHPOAZFYXHAISF-MRXNPFEDSA-N 1 2 298.346 1.326 20 30 CDEDLO SCCCNc1ccc(N2CCOCC2)c[nH+]1 ZINC001171000788 931237064 /nfs/dbraw/zinc/23/70/64/931237064.db2.gz HXPWHNUDYMVSPU-UHFFFAOYSA-N 1 2 253.371 1.650 20 30 CDEDLO Cc1cc[nH+]c(NCCOc2ccc(C#N)cc2)c1C(N)=O ZINC001160281448 931349713 /nfs/dbraw/zinc/34/97/13/931349713.db2.gz VJQSZTVXPRNLMW-UHFFFAOYSA-N 1 2 296.330 1.852 20 30 CDEDLO Cc1c(C(=O)Nc2cc[nH+]c(C)c2)cnn1CCC#N ZINC000889792706 931370683 /nfs/dbraw/zinc/37/06/83/931370683.db2.gz KNOYGXSNAPSMKC-UHFFFAOYSA-N 1 2 269.308 1.483 20 30 CDEDLO N#Cc1cc[nH]c1NC(=O)c1cccc2[nH+]ccn21 ZINC001154520124 931476224 /nfs/dbraw/zinc/47/62/24/931476224.db2.gz AAPVBFKLIKYSPW-UHFFFAOYSA-N 1 2 251.249 1.786 20 30 CDEDLO C=C[C@](C)(O)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000824814600 931483058 /nfs/dbraw/zinc/48/30/58/931483058.db2.gz TVMAXBARFQVLTR-AWEZNQCLSA-N 1 2 264.325 1.260 20 30 CDEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001274854355 931594732 /nfs/dbraw/zinc/59/47/32/931594732.db2.gz GSMFKHDPPBPCJP-AWEZNQCLSA-N 1 2 296.374 1.238 20 30 CDEDLO C[N@@H+]1CCc2nc(C(=O)NCC3(C#N)CCC3)sc2C1 ZINC001154221676 937519131 /nfs/dbraw/zinc/51/91/31/937519131.db2.gz SNXUROPYDMQYGW-UHFFFAOYSA-N 1 2 290.392 1.555 20 30 CDEDLO C[N@H+]1CCc2nc(C(=O)NCC3(C#N)CCC3)sc2C1 ZINC001154221676 937519132 /nfs/dbraw/zinc/51/91/32/937519132.db2.gz SNXUROPYDMQYGW-UHFFFAOYSA-N 1 2 290.392 1.555 20 30 CDEDLO CCOCc1ncn2c1C[N@H+](Cc1cncc(C#N)c1)CC2 ZINC001144080601 931650296 /nfs/dbraw/zinc/65/02/96/931650296.db2.gz RTPNOOPZQDZSDO-UHFFFAOYSA-N 1 2 297.362 1.702 20 30 CDEDLO CCOCc1ncn2c1C[N@@H+](Cc1cncc(C#N)c1)CC2 ZINC001144080601 931650299 /nfs/dbraw/zinc/65/02/99/931650299.db2.gz RTPNOOPZQDZSDO-UHFFFAOYSA-N 1 2 297.362 1.702 20 30 CDEDLO Cc1c(C[N@H+](C)CCC#N)c(=O)n(-c2ccccc2)n1C ZINC000125228197 931730869 /nfs/dbraw/zinc/73/08/69/931730869.db2.gz XITDGJCWDLORHM-UHFFFAOYSA-N 1 2 284.363 1.830 20 30 CDEDLO Cc1c(C[N@@H+](C)CCC#N)c(=O)n(-c2ccccc2)n1C ZINC000125228197 931730872 /nfs/dbraw/zinc/73/08/72/931730872.db2.gz XITDGJCWDLORHM-UHFFFAOYSA-N 1 2 284.363 1.830 20 30 CDEDLO C[C@@H](CC(=O)OCCNc1ncccc1C#N)n1cc[nH+]c1 ZINC000845457803 931822464 /nfs/dbraw/zinc/82/24/64/931822464.db2.gz DFFCDDIIMUIFAP-LBPRGKRZSA-N 1 2 299.334 1.756 20 30 CDEDLO C=C[C@H](C)ONC(=O)NCCCCn1cc[nH+]c1 ZINC000845641125 931867929 /nfs/dbraw/zinc/86/79/29/931867929.db2.gz XZRGUNBQXIUXMC-NSHDSACASA-N 1 2 252.318 1.469 20 30 CDEDLO C=C(C)CONC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000845605053 931869093 /nfs/dbraw/zinc/86/90/93/931869093.db2.gz HTKYKDZOHDHVHB-JTQLQIEISA-N 1 2 250.302 1.005 20 30 CDEDLO C#CC[N@H+](C)Cc1ccc(OCC(F)(F)F)nn1 ZINC000846871406 932144811 /nfs/dbraw/zinc/14/48/11/932144811.db2.gz HUVNQYQPHFJYNW-UHFFFAOYSA-N 1 2 259.231 1.483 20 30 CDEDLO C#CC[N@@H+](C)Cc1ccc(OCC(F)(F)F)nn1 ZINC000846871406 932144808 /nfs/dbraw/zinc/14/48/08/932144808.db2.gz HUVNQYQPHFJYNW-UHFFFAOYSA-N 1 2 259.231 1.483 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2occ3c2CCC3)CC1 ZINC000795916241 932211933 /nfs/dbraw/zinc/21/19/33/932211933.db2.gz KKNAWMCJJWDICP-UHFFFAOYSA-N 1 2 272.348 1.549 20 30 CDEDLO C#CCCCCC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928643403 933168781 /nfs/dbraw/zinc/16/87/81/933168781.db2.gz KQGCZPUTNPKLMC-AWEZNQCLSA-N 1 2 266.385 1.407 20 30 CDEDLO CCOC(=O)C1([N@H+](C)C[C@H](O)CC#N)CCCCC1 ZINC000930036881 933300784 /nfs/dbraw/zinc/30/07/84/933300784.db2.gz SBOKVBDOJNNALM-GFCCVEGCSA-N 1 2 268.357 1.459 20 30 CDEDLO CCOC(=O)C1([N@@H+](C)C[C@H](O)CC#N)CCCCC1 ZINC000930036881 933300796 /nfs/dbraw/zinc/30/07/96/933300796.db2.gz SBOKVBDOJNNALM-GFCCVEGCSA-N 1 2 268.357 1.459 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](C[C@H](O)COCc2ccco2)C1 ZINC000932161872 933675545 /nfs/dbraw/zinc/67/55/45/933675545.db2.gz NXTPFNPMNFZUQY-STQMWFEESA-N 1 2 264.325 1.393 20 30 CDEDLO N#C[C@@H]1CCC[N@H+](C[C@H](O)COCc2ccco2)C1 ZINC000932161872 933675551 /nfs/dbraw/zinc/67/55/51/933675551.db2.gz NXTPFNPMNFZUQY-STQMWFEESA-N 1 2 264.325 1.393 20 30 CDEDLO COCC#CC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001119683188 937747146 /nfs/dbraw/zinc/74/71/46/937747146.db2.gz HYULRSQQSOFVJH-HNNXBMFYSA-N 1 2 283.331 1.390 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cn1 ZINC000779095932 934396749 /nfs/dbraw/zinc/39/67/49/934396749.db2.gz NGPIDPJZADMBBE-CYBMUJFWSA-N 1 2 266.304 1.004 20 30 CDEDLO Cc1nc(N2C[C@@H]3[C@@H](CNC(=O)C#CC(C)C)[C@@H]3C2)cc[nH+]1 ZINC001114542247 934799577 /nfs/dbraw/zinc/79/95/77/934799577.db2.gz YKAVNCPHIHHUDC-QKDCVEJESA-N 1 2 298.390 1.243 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)CSCC(F)(F)F)CC1 ZINC000090502336 934837271 /nfs/dbraw/zinc/83/72/71/934837271.db2.gz NGVQCGYBCJCLRF-UHFFFAOYSA-N 1 2 294.342 1.449 20 30 CDEDLO C=C(Br)CN1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000249519237 934938398 /nfs/dbraw/zinc/93/83/98/934938398.db2.gz UEABXTJCMDMHHT-QWRGUYRKSA-N 1 2 277.206 1.282 20 30 CDEDLO C=C(Br)CN1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000249519237 934938401 /nfs/dbraw/zinc/93/84/01/934938401.db2.gz UEABXTJCMDMHHT-QWRGUYRKSA-N 1 2 277.206 1.282 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ncc(Cl)s2)C1 ZINC001007925373 935394990 /nfs/dbraw/zinc/39/49/90/935394990.db2.gz LWGYOKSXCUKLCJ-VIFPVBQESA-N 1 2 283.784 1.624 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ncc(Cl)s2)C1 ZINC001007925373 935394995 /nfs/dbraw/zinc/39/49/95/935394995.db2.gz LWGYOKSXCUKLCJ-VIFPVBQESA-N 1 2 283.784 1.624 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn3c(n2)CCC3)C1 ZINC001014481004 935538562 /nfs/dbraw/zinc/53/85/62/935538562.db2.gz VNPUKBYDGIPGPP-NSHDSACASA-N 1 2 294.786 1.386 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn3c(n2)CCC3)C1 ZINC001014481004 935538564 /nfs/dbraw/zinc/53/85/64/935538564.db2.gz VNPUKBYDGIPGPP-NSHDSACASA-N 1 2 294.786 1.386 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)SC ZINC001017481226 935640476 /nfs/dbraw/zinc/64/04/76/935640476.db2.gz YXUKDULSMZAUTI-HZSPNIEDSA-N 1 2 280.437 1.827 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)SC ZINC001017481226 935640477 /nfs/dbraw/zinc/64/04/77/935640477.db2.gz YXUKDULSMZAUTI-HZSPNIEDSA-N 1 2 280.437 1.827 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]1OC ZINC001017678572 935646625 /nfs/dbraw/zinc/64/66/25/935646625.db2.gz XKFBDJANUJTBAS-BARDWOONSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]1OC ZINC001017678572 935646627 /nfs/dbraw/zinc/64/66/27/935646627.db2.gz XKFBDJANUJTBAS-BARDWOONSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC12CCC2 ZINC001018006195 935657767 /nfs/dbraw/zinc/65/77/67/935657767.db2.gz ZBMSPPDNOHMVRX-MJBXVCDLSA-N 1 2 258.365 1.485 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC12CCC2 ZINC001018006195 935657771 /nfs/dbraw/zinc/65/77/71/935657771.db2.gz ZBMSPPDNOHMVRX-MJBXVCDLSA-N 1 2 258.365 1.485 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc(C)oc1C ZINC001018093909 935660159 /nfs/dbraw/zinc/66/01/59/935660159.db2.gz RVPQEAVCVDPUGY-OKILXGFUSA-N 1 2 287.363 1.604 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc(C)oc1C ZINC001018093909 935660161 /nfs/dbraw/zinc/66/01/61/935660161.db2.gz RVPQEAVCVDPUGY-OKILXGFUSA-N 1 2 287.363 1.604 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(F)ccc(F)c1F ZINC001038638573 935683277 /nfs/dbraw/zinc/68/32/77/935683277.db2.gz JBMPCJLYOBRYOU-JTQLQIEISA-N 1 2 296.292 1.931 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(F)ccc(F)c1F ZINC001038638573 935683283 /nfs/dbraw/zinc/68/32/83/935683283.db2.gz JBMPCJLYOBRYOU-JTQLQIEISA-N 1 2 296.292 1.931 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C2CC2)nn1CC ZINC001038381751 935742959 /nfs/dbraw/zinc/74/29/59/935742959.db2.gz MWUHWMXSXGTHPU-ZDUSSCGKSA-N 1 2 286.379 1.218 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C2CC2)nn1CC ZINC001038381751 935742963 /nfs/dbraw/zinc/74/29/63/935742963.db2.gz MWUHWMXSXGTHPU-ZDUSSCGKSA-N 1 2 286.379 1.218 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)onc1C1CC1 ZINC001038527980 935748140 /nfs/dbraw/zinc/74/81/40/935748140.db2.gz AZDKWUYHEYGJLI-ZDUSSCGKSA-N 1 2 287.363 1.688 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)onc1C1CC1 ZINC001038527980 935748142 /nfs/dbraw/zinc/74/81/42/935748142.db2.gz AZDKWUYHEYGJLI-ZDUSSCGKSA-N 1 2 287.363 1.688 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2ccncc2n1 ZINC001038527720 935748358 /nfs/dbraw/zinc/74/83/58/935748358.db2.gz YRTITPBWXGKJKU-AWEZNQCLSA-N 1 2 294.358 1.457 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2ccncc2n1 ZINC001038527720 935748361 /nfs/dbraw/zinc/74/83/61/935748361.db2.gz YRTITPBWXGKJKU-AWEZNQCLSA-N 1 2 294.358 1.457 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)C)on1 ZINC001038555393 935748827 /nfs/dbraw/zinc/74/88/27/935748827.db2.gz PVVXRIZSTARTQZ-LLVKDONJSA-N 1 2 261.325 1.235 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)C)on1 ZINC001038555393 935748828 /nfs/dbraw/zinc/74/88/28/935748828.db2.gz PVVXRIZSTARTQZ-LLVKDONJSA-N 1 2 261.325 1.235 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2c1OCC2 ZINC001038729357 935754503 /nfs/dbraw/zinc/75/45/03/935754503.db2.gz HSMFFZQSMXXSKP-CQSZACIVSA-N 1 2 284.359 1.449 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2c1OCC2 ZINC001038729357 935754506 /nfs/dbraw/zinc/75/45/06/935754506.db2.gz HSMFFZQSMXXSKP-CQSZACIVSA-N 1 2 284.359 1.449 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(F)ccc1Cl ZINC001038736327 935755272 /nfs/dbraw/zinc/75/52/72/935755272.db2.gz PTMMNPQHLYUAPD-NSHDSACASA-N 1 2 280.730 1.916 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)ccc1Cl ZINC001038736327 935755274 /nfs/dbraw/zinc/75/52/74/935755274.db2.gz PTMMNPQHLYUAPD-NSHDSACASA-N 1 2 280.730 1.916 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2ccccc2c1 ZINC001038757581 935755726 /nfs/dbraw/zinc/75/57/26/935755726.db2.gz ZNQPSAQCPFUXCH-HNNXBMFYSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2ccccc2c1 ZINC001038757581 935755727 /nfs/dbraw/zinc/75/57/27/935755727.db2.gz ZNQPSAQCPFUXCH-HNNXBMFYSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001038785995 935757250 /nfs/dbraw/zinc/75/72/50/935757250.db2.gz KHWOEIZQLKIDKB-XHSDSOJGSA-N 1 2 268.360 1.614 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001038785995 935757253 /nfs/dbraw/zinc/75/72/53/935757253.db2.gz KHWOEIZQLKIDKB-XHSDSOJGSA-N 1 2 268.360 1.614 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1c(F)cccc1F ZINC001038949429 935763615 /nfs/dbraw/zinc/76/36/15/935763615.db2.gz FODJFBPEGFMUJI-SNVBAGLBSA-N 1 2 266.291 1.955 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(F)cccc1F ZINC001038949429 935763617 /nfs/dbraw/zinc/76/36/17/935763617.db2.gz FODJFBPEGFMUJI-SNVBAGLBSA-N 1 2 266.291 1.955 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)cn1CC ZINC001039033076 935766532 /nfs/dbraw/zinc/76/65/32/935766532.db2.gz PAZFCWHBUWTJER-GFCCVEGCSA-N 1 2 279.771 1.599 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)cn1CC ZINC001039033076 935766534 /nfs/dbraw/zinc/76/65/34/935766534.db2.gz PAZFCWHBUWTJER-GFCCVEGCSA-N 1 2 279.771 1.599 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(OCC2CC2)cc1 ZINC001039024258 935766565 /nfs/dbraw/zinc/76/65/65/935766565.db2.gz BREJJMKZYVUVNE-INIZCTEOSA-N 1 2 298.386 1.913 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OCC2CC2)cc1 ZINC001039024258 935766568 /nfs/dbraw/zinc/76/65/68/935766568.db2.gz BREJJMKZYVUVNE-INIZCTEOSA-N 1 2 298.386 1.913 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2c1cccc2Cl ZINC001039067314 935767382 /nfs/dbraw/zinc/76/73/82/935767382.db2.gz MRBZMEWFWZVJBF-BXUZGUMPSA-N 1 2 288.778 1.803 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2c1cccc2Cl ZINC001039067314 935767383 /nfs/dbraw/zinc/76/73/83/935767383.db2.gz MRBZMEWFWZVJBF-BXUZGUMPSA-N 1 2 288.778 1.803 20 30 CDEDLO CC#CCN1CC(N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001042721981 935827785 /nfs/dbraw/zinc/82/77/85/935827785.db2.gz CFADFYYIXYACOA-UHFFFAOYSA-N 1 2 296.374 1.422 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](C)c2ccnn2C)C1 ZINC001042740373 935828638 /nfs/dbraw/zinc/82/86/38/935828638.db2.gz TZMOQFPQHGVHKW-LBPRGKRZSA-N 1 2 276.384 1.242 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+](CC(=C)C)C1 ZINC001042741478 935828805 /nfs/dbraw/zinc/82/88/05/935828805.db2.gz RWSVTIKADHATKH-CABCVRRESA-N 1 2 278.396 1.686 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCO[C@H]2C(C)C)C1 ZINC001042883074 935830302 /nfs/dbraw/zinc/83/03/02/935830302.db2.gz SQSYDDKOZLJBRL-KBPBESRZSA-N 1 2 266.385 1.376 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc3cccn3cn2)C1 ZINC001043047942 935832557 /nfs/dbraw/zinc/83/25/57/935832557.db2.gz CWRRDUBTTIJCKS-UHFFFAOYSA-N 1 2 282.347 1.114 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ncc(F)cc2F)C1 ZINC001043106562 935833262 /nfs/dbraw/zinc/83/32/62/935833262.db2.gz ZGZFOFMNVQWFRM-UHFFFAOYSA-N 1 2 279.290 1.139 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3c(c2)CCOC3)C1 ZINC001043308652 935836861 /nfs/dbraw/zinc/83/68/61/935836861.db2.gz LUHBGYLKMTWREZ-UHFFFAOYSA-N 1 2 298.386 1.539 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H](C)[C@@H]2CCCO2)C1 ZINC001043793867 935844188 /nfs/dbraw/zinc/84/41/88/935844188.db2.gz BTOHIKFWCMDGFV-YPMHNXCESA-N 1 2 252.358 1.130 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C)[C@@H]2CCCO2)C1 ZINC001043796105 935844671 /nfs/dbraw/zinc/84/46/71/935844671.db2.gz NOKWFZHIVVCAAM-OCCSQVGLSA-N 1 2 266.385 1.520 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC001044061172 935849712 /nfs/dbraw/zinc/84/97/12/935849712.db2.gz OPLFWTZDILFOOC-NSHDSACASA-N 1 2 290.411 1.849 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCN2C(=O)CCC)C1 ZINC001044328435 935858043 /nfs/dbraw/zinc/85/80/43/935858043.db2.gz ZICQAYFFRQENPC-AWEZNQCLSA-N 1 2 293.411 1.106 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccon1 ZINC001045733507 935890765 /nfs/dbraw/zinc/89/07/65/935890765.db2.gz JSOCHNWUDXIGCP-BNOWGMLFSA-N 1 2 288.351 1.400 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccon1 ZINC001045733507 935890768 /nfs/dbraw/zinc/89/07/68/935890768.db2.gz JSOCHNWUDXIGCP-BNOWGMLFSA-N 1 2 288.351 1.400 20 30 CDEDLO CC(C)(C)CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046002748 935912825 /nfs/dbraw/zinc/91/28/25/935912825.db2.gz NOOLRVOAJZARCY-CQSZACIVSA-N 1 2 292.427 1.165 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2n[nH]cc2C)C1 ZINC001046307807 935940184 /nfs/dbraw/zinc/94/01/84/935940184.db2.gz FQVSQKCIVGWRAL-ZDUSSCGKSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2n[nH]cc2C)C1 ZINC001046307807 935940187 /nfs/dbraw/zinc/94/01/87/935940187.db2.gz FQVSQKCIVGWRAL-ZDUSSCGKSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnn(CC)n2)C1 ZINC001046297543 935940282 /nfs/dbraw/zinc/94/02/82/935940282.db2.gz FTBDYOGIRQBCPQ-ZDUSSCGKSA-N 1 2 297.790 1.245 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnn(CC)n2)C1 ZINC001046297543 935940284 /nfs/dbraw/zinc/94/02/84/935940284.db2.gz FTBDYOGIRQBCPQ-ZDUSSCGKSA-N 1 2 297.790 1.245 20 30 CDEDLO COC(=O)C1([NH2+]CCO[C@@H](C)C#N)CCCCC1 ZINC000801922129 936015577 /nfs/dbraw/zinc/01/55/77/936015577.db2.gz RBWAQPZBZYIUHJ-NSHDSACASA-N 1 2 254.330 1.381 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096392982 936062300 /nfs/dbraw/zinc/06/23/00/936062300.db2.gz DVCMDDQBHOHJRU-AAEUAGOBSA-N 1 2 290.367 1.071 20 30 CDEDLO C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)Nc1ncccc1C#N ZINC001120712452 937828451 /nfs/dbraw/zinc/82/84/51/937828451.db2.gz NYOODMRPTJSRFW-NSHDSACASA-N 1 2 298.350 1.178 20 30 CDEDLO Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C2)s1 ZINC001206660202 938326562 /nfs/dbraw/zinc/32/65/62/938326562.db2.gz ZZGKSOZZGSDUMN-CKYFFXLPSA-N 1 2 292.408 1.548 20 30 CDEDLO Cc1cnc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C2)s1 ZINC001206660202 938326564 /nfs/dbraw/zinc/32/65/64/938326564.db2.gz ZZGKSOZZGSDUMN-CKYFFXLPSA-N 1 2 292.408 1.548 20 30 CDEDLO CCOC(=O)C1C[NH+](Cc2ccc(C#N)c(OC)c2)C1 ZINC001238408927 945169976 /nfs/dbraw/zinc/16/99/76/945169976.db2.gz GLNFNUCJLOZGLQ-UHFFFAOYSA-N 1 2 274.320 1.562 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001156891339 938429482 /nfs/dbraw/zinc/42/94/82/938429482.db2.gz HCAGNZGAYBOFPK-LLVKDONJSA-N 1 2 277.368 1.886 20 30 CDEDLO C=CCCOCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccon1 ZINC001157203220 938465833 /nfs/dbraw/zinc/46/58/33/938465833.db2.gz CIGITORRLLAQQZ-CYBMUJFWSA-N 1 2 295.383 1.594 20 30 CDEDLO C=CCCOCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccon1 ZINC001157203220 938465834 /nfs/dbraw/zinc/46/58/34/938465834.db2.gz CIGITORRLLAQQZ-CYBMUJFWSA-N 1 2 295.383 1.594 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1ncc([N+](=O)[O-])cc1C#N ZINC001157459948 938495443 /nfs/dbraw/zinc/49/54/43/938495443.db2.gz OBZNZDVIQZVIFO-UHFFFAOYSA-N 1 2 286.295 1.584 20 30 CDEDLO C#CCN(CC#C)c1nc(NCC2CC2)c(C)c[nH+]1 ZINC001157558552 938511249 /nfs/dbraw/zinc/51/12/49/938511249.db2.gz CSJHBBIOTJPBAG-UHFFFAOYSA-N 1 2 254.337 1.680 20 30 CDEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCC[C@H](n4ccnn4)C3)c12 ZINC001157796397 938547193 /nfs/dbraw/zinc/54/71/93/938547193.db2.gz ADSVLEMFFQHOAP-LBPRGKRZSA-N 1 2 293.334 1.868 20 30 CDEDLO C[N@@H+]1CCOC[C@H]1CNc1nccc2ccc(C#N)cc21 ZINC001158700285 938651641 /nfs/dbraw/zinc/65/16/41/938651641.db2.gz DHGHQCIQRCBUQD-CQSZACIVSA-N 1 2 282.347 1.849 20 30 CDEDLO C[N@H+]1CCOC[C@H]1CNc1nccc2ccc(C#N)cc21 ZINC001158700285 938651643 /nfs/dbraw/zinc/65/16/43/938651643.db2.gz DHGHQCIQRCBUQD-CQSZACIVSA-N 1 2 282.347 1.849 20 30 CDEDLO COc1ccc(C)[nH+]c1N[C@@H]1C(=O)N(O)C[C@@H]1C ZINC001160175034 938773854 /nfs/dbraw/zinc/77/38/54/938773854.db2.gz VWRPJMAFGJNWQU-XVKPBYJWSA-N 1 2 251.286 1.047 20 30 CDEDLO C#CCOCCOCCNc1cc(C)[nH+]c(SC)n1 ZINC001160669254 938810550 /nfs/dbraw/zinc/81/05/50/938810550.db2.gz YXDPOSBIFPVWIU-UHFFFAOYSA-N 1 2 281.381 1.585 20 30 CDEDLO N#Cc1nccnc1N[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC001160720379 938819222 /nfs/dbraw/zinc/81/92/22/938819222.db2.gz OQWMXEYFMKXUMX-YPMHNXCESA-N 1 2 273.340 1.013 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1ncc(Cl)nc1C#N ZINC001162850439 939152866 /nfs/dbraw/zinc/15/28/66/939152866.db2.gz XLXQZMRCLASSBG-ZETCQYMHSA-N 1 2 297.746 1.083 20 30 CDEDLO Cc1ccc(C#N)c(NC[C@H]([NH3+])C(=O)OC(C)(C)C)n1 ZINC001162850072 939152971 /nfs/dbraw/zinc/15/29/71/939152971.db2.gz TVMBQZQILFXEMS-NSHDSACASA-N 1 2 276.340 1.343 20 30 CDEDLO C[C@H]1C(=O)N(C)CCN1c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001167037491 939674910 /nfs/dbraw/zinc/67/49/10/939674910.db2.gz JTCDBPSMXSFRPO-VIFPVBQESA-N 1 2 269.308 1.101 20 30 CDEDLO C=CC[NH2+]CC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001205345684 939884205 /nfs/dbraw/zinc/88/42/05/939884205.db2.gz VQWJCWIKIYOJOU-JTQLQIEISA-N 1 2 282.281 1.901 20 30 CDEDLO C=CC[NH2+]CC1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001205345684 939884210 /nfs/dbraw/zinc/88/42/10/939884210.db2.gz VQWJCWIKIYOJOU-JTQLQIEISA-N 1 2 282.281 1.901 20 30 CDEDLO CCOCc1ncn2c1C[N@H+](Cc1cc(C#N)n(C)c1)CC2 ZINC001207105847 940150191 /nfs/dbraw/zinc/15/01/91/940150191.db2.gz CDSDCDXRLKXKCK-UHFFFAOYSA-N 1 2 299.378 1.646 20 30 CDEDLO CCOCc1ncn2c1C[N@@H+](Cc1cc(C#N)n(C)c1)CC2 ZINC001207105847 940150193 /nfs/dbraw/zinc/15/01/93/940150193.db2.gz CDSDCDXRLKXKCK-UHFFFAOYSA-N 1 2 299.378 1.646 20 30 CDEDLO C=CCCC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nc(C)no2)C1 ZINC001207628909 940223646 /nfs/dbraw/zinc/22/36/46/940223646.db2.gz MLAQWXRJUPSZMD-DGCLKSJQSA-N 1 2 292.383 1.986 20 30 CDEDLO C=C(C)CCC(=O)N1CCC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001208255949 940312794 /nfs/dbraw/zinc/31/27/94/940312794.db2.gz VCVURGPZGOJGSA-ZDUSSCGKSA-N 1 2 292.383 1.815 20 30 CDEDLO C#CCCC[N@@H+]1Cc2cnn(C3CCOCC3)c2C1 ZINC001209269449 940455646 /nfs/dbraw/zinc/45/56/46/940455646.db2.gz KOAMNHADJGBAPL-UHFFFAOYSA-N 1 2 259.353 1.964 20 30 CDEDLO C#CCCC[N@H+]1Cc2cnn(C3CCOCC3)c2C1 ZINC001209269449 940455647 /nfs/dbraw/zinc/45/56/47/940455647.db2.gz KOAMNHADJGBAPL-UHFFFAOYSA-N 1 2 259.353 1.964 20 30 CDEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=C)Cl)C[C@H]1C ZINC001211424768 940753198 /nfs/dbraw/zinc/75/31/98/940753198.db2.gz DZCBGFOYLTWPBR-RAIGVLPGSA-N 1 2 286.803 1.767 20 30 CDEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=C)Cl)C[C@H]1C ZINC001211424768 940753199 /nfs/dbraw/zinc/75/31/99/940753199.db2.gz DZCBGFOYLTWPBR-RAIGVLPGSA-N 1 2 286.803 1.767 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1OC ZINC001213358820 940770867 /nfs/dbraw/zinc/77/08/67/940770867.db2.gz UKHLBFQYDCHOQU-YVNFWLBFSA-N 1 2 286.803 1.911 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1OC ZINC001213358820 940770869 /nfs/dbraw/zinc/77/08/69/940770869.db2.gz UKHLBFQYDCHOQU-YVNFWLBFSA-N 1 2 286.803 1.911 20 30 CDEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001214741360 940838473 /nfs/dbraw/zinc/83/84/73/940838473.db2.gz HHBUSYAPEIEJCV-DGCLKSJQSA-N 1 2 292.383 1.671 20 30 CDEDLO N#Cc1ccc(NC(=O)[C@@H]([NH3+])c2ccsc2)c(O)c1 ZINC001218987883 941298146 /nfs/dbraw/zinc/29/81/46/941298146.db2.gz DOMLUXQTFVOUEB-LBPRGKRZSA-N 1 2 273.317 1.964 20 30 CDEDLO COc1cccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1OC ZINC001225305061 941842303 /nfs/dbraw/zinc/84/23/03/941842303.db2.gz UDOSKGWCIMGYPS-RBRDRRMGSA-N 1 2 291.347 1.695 20 30 CDEDLO COc1cccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1OC ZINC001225305061 941842309 /nfs/dbraw/zinc/84/23/09/941842309.db2.gz UDOSKGWCIMGYPS-RBRDRRMGSA-N 1 2 291.347 1.695 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc(Cl)n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227928108 942245195 /nfs/dbraw/zinc/24/51/95/942245195.db2.gz UJWIQRKVRJXRFN-UHSPONAGSA-N 1 2 266.728 1.726 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc(Cl)n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227928108 942245199 /nfs/dbraw/zinc/24/51/99/942245199.db2.gz UJWIQRKVRJXRFN-UHSPONAGSA-N 1 2 266.728 1.726 20 30 CDEDLO C=CCCCC(=O)NC1CC[NH+](Cc2cnns2)CC1 ZINC001228927950 942396038 /nfs/dbraw/zinc/39/60/38/942396038.db2.gz POIOAGLIBXBTRL-UHFFFAOYSA-N 1 2 294.424 1.975 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2cc(F)c(F)cc2C#N)C1 ZINC001229838561 942540095 /nfs/dbraw/zinc/54/00/95/942540095.db2.gz VHCBAKOPFHIDFT-JTQLQIEISA-N 1 2 268.263 1.546 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2cc(F)c(F)cc2C#N)C1 ZINC001229838561 942540100 /nfs/dbraw/zinc/54/01/00/942540100.db2.gz VHCBAKOPFHIDFT-JTQLQIEISA-N 1 2 268.263 1.546 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)OCCCC ZINC001231093546 942782121 /nfs/dbraw/zinc/78/21/21/942782121.db2.gz BLJCOZXYVOLEQA-KBPBESRZSA-N 1 2 266.385 1.358 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)OCCCC ZINC001231093546 942782124 /nfs/dbraw/zinc/78/21/24/942782124.db2.gz BLJCOZXYVOLEQA-KBPBESRZSA-N 1 2 266.385 1.358 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N1CCCC1 ZINC001231122864 942792812 /nfs/dbraw/zinc/79/28/12/942792812.db2.gz PHFGBWSYOLZEEB-CQSZACIVSA-N 1 2 293.411 1.108 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N1CCCC1 ZINC001231122864 942792815 /nfs/dbraw/zinc/79/28/15/942792815.db2.gz PHFGBWSYOLZEEB-CQSZACIVSA-N 1 2 293.411 1.108 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC1CC1 ZINC001231124097 942794237 /nfs/dbraw/zinc/79/42/37/942794237.db2.gz ZMKGWKCGTHAXAT-OCCSQVGLSA-N 1 2 293.411 1.152 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC1CC1 ZINC001231124097 942794238 /nfs/dbraw/zinc/79/42/38/942794238.db2.gz ZMKGWKCGTHAXAT-OCCSQVGLSA-N 1 2 293.411 1.152 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(C)ncn1 ZINC001231170757 942808432 /nfs/dbraw/zinc/80/84/32/942808432.db2.gz UHTAFNPYQGGWLZ-HNNXBMFYSA-N 1 2 288.395 1.784 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(C)ncn1 ZINC001231170757 942808436 /nfs/dbraw/zinc/80/84/36/942808436.db2.gz UHTAFNPYQGGWLZ-HNNXBMFYSA-N 1 2 288.395 1.784 20 30 CDEDLO Cc1cncc(C[N@H+]2CC[C@H]2CN(C)C(=O)[C@@H](C)C#N)c1 ZINC001231247038 942830896 /nfs/dbraw/zinc/83/08/96/942830896.db2.gz JWIQKKGUSVXGMF-ZFWWWQNUSA-N 1 2 286.379 1.582 20 30 CDEDLO Cc1cncc(C[N@@H+]2CC[C@H]2CN(C)C(=O)[C@@H](C)C#N)c1 ZINC001231247038 942830899 /nfs/dbraw/zinc/83/08/99/942830899.db2.gz JWIQKKGUSVXGMF-ZFWWWQNUSA-N 1 2 286.379 1.582 20 30 CDEDLO Cc1cncc(C[N@H+]2CC[C@H]2CN(C)C(=O)[C@H](C)C#N)c1 ZINC001231247036 942832029 /nfs/dbraw/zinc/83/20/29/942832029.db2.gz JWIQKKGUSVXGMF-HIFRSBDPSA-N 1 2 286.379 1.582 20 30 CDEDLO Cc1cncc(C[N@@H+]2CC[C@H]2CN(C)C(=O)[C@H](C)C#N)c1 ZINC001231247036 942832035 /nfs/dbraw/zinc/83/20/35/942832035.db2.gz JWIQKKGUSVXGMF-HIFRSBDPSA-N 1 2 286.379 1.582 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)C[C@@H]1CC[N@@H+]1C/C=C/Cl ZINC001231293656 942847106 /nfs/dbraw/zinc/84/71/06/942847106.db2.gz PGMZVAPGQFWGNJ-YYMQPOIQSA-N 1 2 255.749 1.431 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)C[C@@H]1CC[N@H+]1C/C=C/Cl ZINC001231293656 942847111 /nfs/dbraw/zinc/84/71/11/942847111.db2.gz PGMZVAPGQFWGNJ-YYMQPOIQSA-N 1 2 255.749 1.431 20 30 CDEDLO C=CCOc1cccc(C[NH+]2CC(N3CCOCC3)C2)c1 ZINC001231623699 942946634 /nfs/dbraw/zinc/94/66/34/942946634.db2.gz QQFCNGMZOHIMQR-UHFFFAOYSA-N 1 2 288.391 1.768 20 30 CDEDLO C=CC[NH+]1CCN(Cc2ccc3c[nH]nc3c2)CC1 ZINC001231907065 943049726 /nfs/dbraw/zinc/04/97/26/943049726.db2.gz MCCYTQCUIKZQCN-UHFFFAOYSA-N 1 2 256.353 1.867 20 30 CDEDLO N#Cc1ccnc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC001232474335 943290169 /nfs/dbraw/zinc/29/01/69/943290169.db2.gz ATTGNJRNELWYHH-NSHDSACASA-N 1 2 267.279 1.403 20 30 CDEDLO N#Cc1ccnc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC001232474335 943290175 /nfs/dbraw/zinc/29/01/75/943290175.db2.gz ATTGNJRNELWYHH-NSHDSACASA-N 1 2 267.279 1.403 20 30 CDEDLO N#Cc1ccnc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c1 ZINC001232475773 943290680 /nfs/dbraw/zinc/29/06/80/943290680.db2.gz SUVPHVJEIJDRSK-UHFFFAOYSA-N 1 2 285.269 1.842 20 30 CDEDLO N#Cc1ccc(N2C[C@@H]3COC[C@H](C2)[N@@H+]3C2CCCC2)nc1 ZINC001277687247 943336727 /nfs/dbraw/zinc/33/67/27/943336727.db2.gz KBWMIOAZUBCJHE-IYBDPMFKSA-N 1 2 298.390 1.785 20 30 CDEDLO N#Cc1ccc(N2C[C@@H]3COC[C@H](C2)[N@H+]3C2CCCC2)nc1 ZINC001277687247 943336734 /nfs/dbraw/zinc/33/67/34/943336734.db2.gz KBWMIOAZUBCJHE-IYBDPMFKSA-N 1 2 298.390 1.785 20 30 CDEDLO Cc1noc([C@@H]2CC[N@H+](Cc3cc(C#N)ccc3O)C2)n1 ZINC001232678744 943358324 /nfs/dbraw/zinc/35/83/24/943358324.db2.gz OFJOJLFHICGDEK-GFCCVEGCSA-N 1 2 284.319 1.945 20 30 CDEDLO Cc1noc([C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3O)C2)n1 ZINC001232678744 943358333 /nfs/dbraw/zinc/35/83/33/943358333.db2.gz OFJOJLFHICGDEK-GFCCVEGCSA-N 1 2 284.319 1.945 20 30 CDEDLO CCC[NH+]1CCN(Cc2cc(C#N)ccc2O)CC1 ZINC001232679120 943363270 /nfs/dbraw/zinc/36/32/70/943363270.db2.gz CVRMANGGHWVWIT-UHFFFAOYSA-N 1 2 259.353 1.791 20 30 CDEDLO C[C@@H]1C[N@H+](C2CN(Cc3cccc(C#N)n3)C2)C[C@H](C)O1 ZINC001232926915 943436147 /nfs/dbraw/zinc/43/61/47/943436147.db2.gz INCCELSACVZTPE-BETUJISGSA-N 1 2 286.379 1.247 20 30 CDEDLO C[C@@H]1C[N@@H+](C2CN(Cc3cccc(C#N)n3)C2)C[C@H](C)O1 ZINC001232926915 943436151 /nfs/dbraw/zinc/43/61/51/943436151.db2.gz INCCELSACVZTPE-BETUJISGSA-N 1 2 286.379 1.247 20 30 CDEDLO CCOC(=O)C1(F)CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC001232925063 943436401 /nfs/dbraw/zinc/43/64/01/943436401.db2.gz KONSWTSLFYISNP-UHFFFAOYSA-N 1 2 291.326 1.820 20 30 CDEDLO CC[C@H](SC)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001233694999 943641639 /nfs/dbraw/zinc/64/16/39/943641639.db2.gz QGJPCPMXFKUYKR-KBPBESRZSA-N 1 2 298.452 1.311 20 30 CDEDLO CC[C@H](SC)C(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001233694999 943641641 /nfs/dbraw/zinc/64/16/41/943641641.db2.gz QGJPCPMXFKUYKR-KBPBESRZSA-N 1 2 298.452 1.311 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccns1 ZINC001233947891 943697570 /nfs/dbraw/zinc/69/75/70/943697570.db2.gz OVMSCSILBNHYNV-CYBMUJFWSA-N 1 2 291.420 1.979 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccns1 ZINC001233947891 943697572 /nfs/dbraw/zinc/69/75/72/943697572.db2.gz OVMSCSILBNHYNV-CYBMUJFWSA-N 1 2 291.420 1.979 20 30 CDEDLO N#CCC[N@@H+]1CC[C@H]2CN(Cc3nc4ccccc4[nH]3)C[C@H]21 ZINC001277939521 944134301 /nfs/dbraw/zinc/13/43/01/944134301.db2.gz VVWQWVWRESZRLP-XJKSGUPXSA-N 1 2 295.390 1.983 20 30 CDEDLO N#CCC[N@H+]1CC[C@H]2CN(Cc3nc4ccccc4[nH]3)C[C@H]21 ZINC001277939521 944134302 /nfs/dbraw/zinc/13/43/02/944134302.db2.gz VVWQWVWRESZRLP-XJKSGUPXSA-N 1 2 295.390 1.983 20 30 CDEDLO CC(=O)N1CCC([NH+]2CC(Oc3ccccc3C#N)C2)CC1 ZINC001254432038 947442598 /nfs/dbraw/zinc/44/25/98/947442598.db2.gz MZYGSCCHJWQYKL-UHFFFAOYSA-N 1 2 299.374 1.632 20 30 CDEDLO C=CCNC(=O)c1cccnc1-c1c[nH+]c(N)c(C)c1 ZINC001245538288 947732979 /nfs/dbraw/zinc/73/29/79/947732979.db2.gz LGVXHQHHYOVMMR-UHFFFAOYSA-N 1 2 268.320 1.950 20 30 CDEDLO CC[C@H](CC#N)N1CC[NH+](Cc2cccnc2)CC1 ZINC001255164890 947760007 /nfs/dbraw/zinc/76/00/07/947760007.db2.gz PTWGBWMNDXRYMH-OAHLLOKOSA-N 1 2 258.369 1.891 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001255171794 947763269 /nfs/dbraw/zinc/76/32/69/947763269.db2.gz AZJOSMYOEMEYES-LXTVHRRPSA-N 1 2 264.369 1.804 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001255171794 947763262 /nfs/dbraw/zinc/76/32/62/947763262.db2.gz AZJOSMYOEMEYES-LXTVHRRPSA-N 1 2 264.369 1.804 20 30 CDEDLO N#CC1CCC([NH2+][C@H]2Oc3ccc(CCO)cc3O2)CC1 ZINC001256964159 948465572 /nfs/dbraw/zinc/46/55/72/948465572.db2.gz WFQLVKYZPPNQOF-ZUEPYMLJSA-N 1 2 288.347 1.948 20 30 CDEDLO C=CC[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)OCC)C1)C(=O)OC ZINC001257041718 948493557 /nfs/dbraw/zinc/49/35/57/948493557.db2.gz VAMXSWILGLDHGM-GRYCIOLGSA-N 1 2 269.341 1.426 20 30 CDEDLO C=CC[C@@H]([NH2+][C@@H]1CC[C@H](C(=O)OCC)C1)C(=O)OC ZINC001257041720 948494468 /nfs/dbraw/zinc/49/44/68/948494468.db2.gz VAMXSWILGLDHGM-QJPTWQEYSA-N 1 2 269.341 1.426 20 30 CDEDLO CCCCOC(=O)CC[C@@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001257390237 948586814 /nfs/dbraw/zinc/58/68/14/948586814.db2.gz AVXPBYILSMOEQA-OLZOCXBDSA-N 1 2 267.373 1.296 20 30 CDEDLO CCc1cc(C#N)ccc1C[N@H+]1CC(=O)N2CCC[C@H]2C1 ZINC001248751703 949119225 /nfs/dbraw/zinc/11/92/25/949119225.db2.gz HEBDPGQQDDDFQQ-INIZCTEOSA-N 1 2 283.375 1.927 20 30 CDEDLO CCc1cc(C#N)ccc1C[N@@H+]1CC(=O)N2CCC[C@H]2C1 ZINC001248751703 949119239 /nfs/dbraw/zinc/11/92/39/949119239.db2.gz HEBDPGQQDDDFQQ-INIZCTEOSA-N 1 2 283.375 1.927 20 30 CDEDLO N#Cc1ccn2ncc(C[N@@H+]3C[C@H](CO)C[C@H](F)C3)c2c1 ZINC001249082427 949370747 /nfs/dbraw/zinc/37/07/47/949370747.db2.gz SIVPXYGIHVSOJX-OCCSQVGLSA-N 1 2 288.326 1.358 20 30 CDEDLO N#Cc1ccn2ncc(C[N@H+]3C[C@H](CO)C[C@H](F)C3)c2c1 ZINC001249082427 949370770 /nfs/dbraw/zinc/37/07/70/949370770.db2.gz SIVPXYGIHVSOJX-OCCSQVGLSA-N 1 2 288.326 1.358 20 30 CDEDLO C#CCOC[C@@H](O)C[NH2+][C@H](C(=O)OC(C)(C)C)[C@@H](C)CC ZINC001251888301 950917577 /nfs/dbraw/zinc/91/75/77/950917577.db2.gz RJMTYZIDYLHSLU-IHRRRGAJSA-N 1 2 299.411 1.343 20 30 CDEDLO CCOC(=O)c1cc(C[NH2+]CC2(C#N)CCC2)[nH]n1 ZINC001326615127 954454754 /nfs/dbraw/zinc/45/47/54/954454754.db2.gz VOAUYLKXXXRIEE-UHFFFAOYSA-N 1 2 262.313 1.370 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC001364932520 955392021 /nfs/dbraw/zinc/39/20/21/955392021.db2.gz YWQPTBDQZVGEMG-VIFPVBQESA-N 1 2 272.395 1.933 20 30 CDEDLO CCC[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001421652421 955453837 /nfs/dbraw/zinc/45/38/37/955453837.db2.gz UYAWXLLVDDOQCE-CABCVRRESA-N 1 2 287.363 1.192 20 30 CDEDLO CCC[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001421652421 955453849 /nfs/dbraw/zinc/45/38/49/955453849.db2.gz UYAWXLLVDDOQCE-CABCVRRESA-N 1 2 287.363 1.192 20 30 CDEDLO COCC#CC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001328759037 955459094 /nfs/dbraw/zinc/45/90/94/955459094.db2.gz VVJCVFRCLFTXLL-HNNXBMFYSA-N 1 2 297.358 1.470 20 30 CDEDLO C=C[C@@](C)(O)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001306755748 956331594 /nfs/dbraw/zinc/33/15/94/956331594.db2.gz YJVOTTIKXWFZEO-MLGOLLRUSA-N 1 2 285.347 1.987 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)[C@]1(C#N)CC12CCCC2 ZINC001330982226 956740158 /nfs/dbraw/zinc/74/01/58/956740158.db2.gz PTXWSABNFLDBHR-CQSZACIVSA-N 1 2 258.325 1.510 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cc1c(C)nn(C)c1C ZINC001366553820 956952643 /nfs/dbraw/zinc/95/26/43/956952643.db2.gz WPBGFYBJBQPYMX-UHFFFAOYSA-N 1 2 298.818 1.380 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cc1c(C)nn(C)c1C ZINC001366553820 956952652 /nfs/dbraw/zinc/95/26/52/956952652.db2.gz WPBGFYBJBQPYMX-UHFFFAOYSA-N 1 2 298.818 1.380 20 30 CDEDLO C#CC[NH+]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001332183229 957469960 /nfs/dbraw/zinc/46/99/60/957469960.db2.gz RIHGPDAPMQYVOZ-UHFFFAOYSA-N 1 2 296.330 1.898 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc2n(n1)CCO2 ZINC001367807472 958380239 /nfs/dbraw/zinc/38/02/39/958380239.db2.gz VZVXVCDYPDULDK-SNVBAGLBSA-N 1 2 298.774 1.078 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc2n(n1)CCO2 ZINC001367807472 958380253 /nfs/dbraw/zinc/38/02/53/958380253.db2.gz VZVXVCDYPDULDK-SNVBAGLBSA-N 1 2 298.774 1.078 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCCn1cccn1 ZINC001367851386 958431669 /nfs/dbraw/zinc/43/16/69/958431669.db2.gz CMXJGUSBYGVTRA-CYBMUJFWSA-N 1 2 298.818 1.852 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCCn1cccn1 ZINC001367851386 958431679 /nfs/dbraw/zinc/43/16/79/958431679.db2.gz CMXJGUSBYGVTRA-CYBMUJFWSA-N 1 2 298.818 1.852 20 30 CDEDLO C=C[C@@H](COC)NC(=O)NCCCNc1cccc[nH+]1 ZINC001320300852 959061569 /nfs/dbraw/zinc/06/15/69/959061569.db2.gz JIMSUQCVODYJLF-LBPRGKRZSA-N 1 2 278.356 1.384 20 30 CDEDLO C[C@@H]1CCc2nc(C[NH2+][C@@H]3CCCN(O)C3=O)sc2C1 ZINC001334375361 959065210 /nfs/dbraw/zinc/06/52/10/959065210.db2.gz OKFKKCJFNWWQDB-MWLCHTKSSA-N 1 2 295.408 1.738 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1nnc[nH]1 ZINC001418607165 960788532 /nfs/dbraw/zinc/78/85/32/960788532.db2.gz GLOUIGHNVDTCPC-LLVKDONJSA-N 1 2 297.790 1.070 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)CCc1nnc[nH]1 ZINC001418607165 960788549 /nfs/dbraw/zinc/78/85/49/960788549.db2.gz GLOUIGHNVDTCPC-LLVKDONJSA-N 1 2 297.790 1.070 20 30 CDEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2CCCC[N@@H+]2C)n1C ZINC001338580413 961890373 /nfs/dbraw/zinc/89/03/73/961890373.db2.gz SPGLKTIXAICUMU-VXGBXAGGSA-N 1 2 261.373 1.430 20 30 CDEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2CCCC[N@H+]2C)n1C ZINC001338580413 961890395 /nfs/dbraw/zinc/89/03/95/961890395.db2.gz SPGLKTIXAICUMU-VXGBXAGGSA-N 1 2 261.373 1.430 20 30 CDEDLO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCC[N@@H+]2C)n1C ZINC001338580409 961891151 /nfs/dbraw/zinc/89/11/51/961891151.db2.gz SPGLKTIXAICUMU-NEPJUHHUSA-N 1 2 261.373 1.430 20 30 CDEDLO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCC[N@H+]2C)n1C ZINC001338580409 961891172 /nfs/dbraw/zinc/89/11/72/961891172.db2.gz SPGLKTIXAICUMU-NEPJUHHUSA-N 1 2 261.373 1.430 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1cnn(C)c1C ZINC001419974472 962317193 /nfs/dbraw/zinc/31/71/93/962317193.db2.gz XMXOKOOUYAUNSI-UHFFFAOYSA-N 1 2 298.818 1.414 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1cnn(C)c1C ZINC001419974472 962317214 /nfs/dbraw/zinc/31/72/14/962317214.db2.gz XMXOKOOUYAUNSI-UHFFFAOYSA-N 1 2 298.818 1.414 20 30 CDEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCCC1 ZINC001340592719 963020569 /nfs/dbraw/zinc/02/05/69/963020569.db2.gz BLIJKPXOLVVPDQ-UHFFFAOYSA-N 1 2 272.356 1.389 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cn1ccccc1=O ZINC001439408376 963754299 /nfs/dbraw/zinc/75/42/99/963754299.db2.gz NNOIZGKTYPDPKP-LBPRGKRZSA-N 1 2 297.786 1.037 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cn1ccccc1=O ZINC001439408376 963754305 /nfs/dbraw/zinc/75/43/05/963754305.db2.gz NNOIZGKTYPDPKP-LBPRGKRZSA-N 1 2 297.786 1.037 20 30 CDEDLO C=C[C@H](COC)NC(=O)NCCCCn1cc[nH+]c1 ZINC001342728533 963809750 /nfs/dbraw/zinc/80/97/50/963809750.db2.gz NRLVUGGPNDWAOF-GFCCVEGCSA-N 1 2 266.345 1.164 20 30 CDEDLO C=C(Cl)CN(C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001442527603 965104909 /nfs/dbraw/zinc/10/49/09/965104909.db2.gz ANZBTZYIERPWPB-GFCCVEGCSA-N 1 2 284.791 1.635 20 30 CDEDLO CCOCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001446015974 966417001 /nfs/dbraw/zinc/41/70/01/966417001.db2.gz QPHJRMZCPAHVQT-NSHDSACASA-N 1 2 293.392 1.347 20 30 CDEDLO CCOCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001446015974 966417004 /nfs/dbraw/zinc/41/70/04/966417004.db2.gz QPHJRMZCPAHVQT-NSHDSACASA-N 1 2 293.392 1.347 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2c(F)ccnc2Cl)C1 ZINC001350462192 966673498 /nfs/dbraw/zinc/67/34/98/966673498.db2.gz BZYHOSYGRBZMRH-SNVBAGLBSA-N 1 2 295.745 1.702 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c(F)ccnc2Cl)C1 ZINC001350462192 966673501 /nfs/dbraw/zinc/67/35/01/966673501.db2.gz BZYHOSYGRBZMRH-SNVBAGLBSA-N 1 2 295.745 1.702 20 30 CDEDLO C=C(Br)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001542487711 967230302 /nfs/dbraw/zinc/23/03/02/967230302.db2.gz XGEMRTQKVASACQ-QMMMGPOBSA-N 1 2 261.163 1.353 20 30 CDEDLO C=C(Br)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001542487711 967230295 /nfs/dbraw/zinc/23/02/95/967230295.db2.gz XGEMRTQKVASACQ-QMMMGPOBSA-N 1 2 261.163 1.353 20 30 CDEDLO Cc1cc(=O)[nH]c(N=NC2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000848398384 969066091 /nfs/dbraw/zinc/06/60/91/969066091.db2.gz HBVDBAWWDXSHQD-LBPRGKRZSA-N 1 2 275.356 1.907 20 30 CDEDLO Cc1cc(=O)[nH]c(N=NC2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000848398384 969066097 /nfs/dbraw/zinc/06/60/97/969066097.db2.gz HBVDBAWWDXSHQD-LBPRGKRZSA-N 1 2 275.356 1.907 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)Nc3c[nH]nc3C#N)ccn12 ZINC001530152584 969099127 /nfs/dbraw/zinc/09/91/27/969099127.db2.gz BMCWOLFJNZUXFY-UHFFFAOYSA-N 1 2 266.264 1.490 20 30 CDEDLO Cc1cc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)no1 ZINC001371915002 972686568 /nfs/dbraw/zinc/68/65/68/972686568.db2.gz XFSOWIRKJQNSPM-UHFFFAOYSA-N 1 2 298.346 1.717 20 30 CDEDLO Cc1cc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)no1 ZINC001371915002 972686579 /nfs/dbraw/zinc/68/65/79/972686579.db2.gz XFSOWIRKJQNSPM-UHFFFAOYSA-N 1 2 298.346 1.717 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cn(CC)cn1 ZINC001377306488 974969314 /nfs/dbraw/zinc/96/93/14/974969314.db2.gz VFLPQTCZMQZALR-UHFFFAOYSA-N 1 2 270.764 1.317 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cn(CC)cn1 ZINC001377306488 974969320 /nfs/dbraw/zinc/96/93/20/974969320.db2.gz VFLPQTCZMQZALR-UHFFFAOYSA-N 1 2 270.764 1.317 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cncn1C ZINC001377320573 974975059 /nfs/dbraw/zinc/97/50/59/974975059.db2.gz UDLYDXUYONRSSJ-UHFFFAOYSA-N 1 2 270.764 1.224 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cncn1C ZINC001377320573 974975064 /nfs/dbraw/zinc/97/50/64/974975064.db2.gz UDLYDXUYONRSSJ-UHFFFAOYSA-N 1 2 270.764 1.224 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCc1ccn(C)n1 ZINC001505929109 975047673 /nfs/dbraw/zinc/04/76/73/975047673.db2.gz UMPGRAPRZQMJOE-GFCCVEGCSA-N 1 2 298.818 1.542 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCc1ccn(C)n1 ZINC001505929109 975047674 /nfs/dbraw/zinc/04/76/74/975047674.db2.gz UMPGRAPRZQMJOE-GFCCVEGCSA-N 1 2 298.818 1.542 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc(F)c[nH]1 ZINC001505964881 975063296 /nfs/dbraw/zinc/06/32/96/975063296.db2.gz BRZLCOGIFIWEFL-VIFPVBQESA-N 1 2 273.739 1.956 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(F)c[nH]1 ZINC001505964881 975063300 /nfs/dbraw/zinc/06/33/00/975063300.db2.gz BRZLCOGIFIWEFL-VIFPVBQESA-N 1 2 273.739 1.956 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)CC1(O)CCC1)C1CC1 ZINC001377530375 975065636 /nfs/dbraw/zinc/06/56/36/975065636.db2.gz IYECZSXNNVWCNJ-UHFFFAOYSA-N 1 2 286.803 1.625 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)CC1(O)CCC1)C1CC1 ZINC001377530375 975065641 /nfs/dbraw/zinc/06/56/41/975065641.db2.gz IYECZSXNNVWCNJ-UHFFFAOYSA-N 1 2 286.803 1.625 20 30 CDEDLO CC(C)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001401861136 975956183 /nfs/dbraw/zinc/95/61/83/975956183.db2.gz CDIAQDVSOWOINP-LLVKDONJSA-N 1 2 277.393 1.966 20 30 CDEDLO CC(C)C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001401861136 975956195 /nfs/dbraw/zinc/95/61/95/975956195.db2.gz CDIAQDVSOWOINP-LLVKDONJSA-N 1 2 277.393 1.966 20 30 CDEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)C3CC3)C2)C1 ZINC001380284661 976331078 /nfs/dbraw/zinc/33/10/78/976331078.db2.gz FYYFUORODKGMLN-UHFFFAOYSA-N 1 2 299.212 1.839 20 30 CDEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)C3CC3)C2)C1 ZINC001380284661 976331088 /nfs/dbraw/zinc/33/10/88/976331088.db2.gz FYYFUORODKGMLN-UHFFFAOYSA-N 1 2 299.212 1.839 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1cc[nH]n1 ZINC001402713910 976451624 /nfs/dbraw/zinc/45/16/24/976451624.db2.gz DSZCFPLLBQCEQX-ZDUSSCGKSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)Cc1cc[nH]n1 ZINC001402713910 976451632 /nfs/dbraw/zinc/45/16/32/976451632.db2.gz DSZCFPLLBQCEQX-ZDUSSCGKSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)CN1CC([C@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001403323544 976882835 /nfs/dbraw/zinc/88/28/35/976882835.db2.gz ILZDPMJDMOJSNN-NSHDSACASA-N 1 2 296.802 1.152 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2cncn2C)C1 ZINC001403323544 976882845 /nfs/dbraw/zinc/88/28/45/976882845.db2.gz ILZDPMJDMOJSNN-NSHDSACASA-N 1 2 296.802 1.152 20 30 CDEDLO C#CCCCCCC(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001132399027 1163269507 /nfs/dbraw/zinc/26/95/07/1163269507.db2.gz ZYGREUZCUPXBNK-UHFFFAOYSA-N 1 2 278.356 1.168 20 30 CDEDLO C=CC[N@@H+](C)CN1C(=O)C(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000811769543 1163529533 /nfs/dbraw/zinc/52/95/33/1163529533.db2.gz YLOOHOGHVSFAMM-NEPJUHHUSA-N 1 2 252.358 1.478 20 30 CDEDLO C=CC[N@H+](C)CN1C(=O)C(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000811769543 1163529536 /nfs/dbraw/zinc/52/95/36/1163529536.db2.gz YLOOHOGHVSFAMM-NEPJUHHUSA-N 1 2 252.358 1.478 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001133378575 1163662836 /nfs/dbraw/zinc/66/28/36/1163662836.db2.gz HJDJCRDOGYAFFQ-CQSZACIVSA-N 1 2 280.372 1.440 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[NH2+]Cc2ncc(C)o2)C1 ZINC001133570222 1163790558 /nfs/dbraw/zinc/79/05/58/1163790558.db2.gz OWUBRSJXPICZMK-UHFFFAOYSA-N 1 2 263.341 1.545 20 30 CDEDLO COc1ccncc1C[NH+]1CCN(CCC#N)CC1 ZINC000588203887 342494394 /nfs/dbraw/zinc/49/43/94/342494394.db2.gz PIQNBDIGDVPWMF-UHFFFAOYSA-N 1 2 260.341 1.121 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000608784742 342045088 /nfs/dbraw/zinc/04/50/88/342045088.db2.gz PYRYHYHZSNUZMK-HIFRSBDPSA-N 1 2 287.363 1.584 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000608784742 342045089 /nfs/dbraw/zinc/04/50/89/342045089.db2.gz PYRYHYHZSNUZMK-HIFRSBDPSA-N 1 2 287.363 1.584 20 30 CDEDLO C=CCCOCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590725613 342584316 /nfs/dbraw/zinc/58/43/16/342584316.db2.gz PIXZFXGDVRYWQP-ZDUSSCGKSA-N 1 2 263.341 1.639 20 30 CDEDLO C[C@H](Nc1ncc(C#N)cc1F)[C@H]1C[N@H+](C)CCO1 ZINC000591150687 342618740 /nfs/dbraw/zinc/61/87/40/342618740.db2.gz MZWFIIXBKHJQEE-JOYOIKCWSA-N 1 2 264.304 1.223 20 30 CDEDLO C[C@H](Nc1ncc(C#N)cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000591150687 342618741 /nfs/dbraw/zinc/61/87/41/342618741.db2.gz MZWFIIXBKHJQEE-JOYOIKCWSA-N 1 2 264.304 1.223 20 30 CDEDLO N#Cc1ccc(CNc2ccc(-n3cncn3)c[nH+]2)o1 ZINC000616487235 342110976 /nfs/dbraw/zinc/11/09/76/342110976.db2.gz FJBPVUAYXNAESK-UHFFFAOYSA-N 1 2 266.264 1.739 20 30 CDEDLO N#Cc1cncnc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591908322 342656096 /nfs/dbraw/zinc/65/60/96/342656096.db2.gz QTUZQWHNGRJADW-GFCCVEGCSA-N 1 2 254.297 1.386 20 30 CDEDLO Cc1cc(NCc2cc3c([nH]c2=O)CCC3)c(C#N)c[nH+]1 ZINC000591820434 342647455 /nfs/dbraw/zinc/64/74/55/342647455.db2.gz YOSVYUWAJJAXNV-UHFFFAOYSA-N 1 2 280.331 1.885 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000592147414 342667910 /nfs/dbraw/zinc/66/79/10/342667910.db2.gz LNFQUWRVPDCNIQ-AWEZNQCLSA-N 1 2 259.284 1.548 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000592147414 342667911 /nfs/dbraw/zinc/66/79/11/342667911.db2.gz LNFQUWRVPDCNIQ-AWEZNQCLSA-N 1 2 259.284 1.548 20 30 CDEDLO Cc1ccccc1NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148223 342668216 /nfs/dbraw/zinc/66/82/16/342668216.db2.gz WUCVYSYSSYLNGN-HNNXBMFYSA-N 1 2 273.336 1.284 20 30 CDEDLO Cc1ccccc1NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148223 342668217 /nfs/dbraw/zinc/66/82/17/342668217.db2.gz WUCVYSYSSYLNGN-HNNXBMFYSA-N 1 2 273.336 1.284 20 30 CDEDLO COC(=O)c1ccc(C[N@@H+]2CC[C@](O)(CC#N)C2)c(F)c1 ZINC000592152548 342669330 /nfs/dbraw/zinc/66/93/30/342669330.db2.gz ZHTQQSUPBRQDDX-OAHLLOKOSA-N 1 2 292.310 1.463 20 30 CDEDLO COC(=O)c1ccc(C[N@H+]2CC[C@](O)(CC#N)C2)c(F)c1 ZINC000592152548 342669332 /nfs/dbraw/zinc/66/93/32/342669332.db2.gz ZHTQQSUPBRQDDX-OAHLLOKOSA-N 1 2 292.310 1.463 20 30 CDEDLO N#Cc1cccc(CN2CC[NH+](Cc3ccco3)CC2)n1 ZINC000602429595 342164741 /nfs/dbraw/zinc/16/47/41/342164741.db2.gz HMXCTNSDTIZGEC-UHFFFAOYSA-N 1 2 282.347 1.864 20 30 CDEDLO CC[C@@H](C#N)C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000593741963 342827153 /nfs/dbraw/zinc/82/71/53/342827153.db2.gz SWTXPESLWXIRNE-QMMMGPOBSA-N 1 2 252.343 1.693 20 30 CDEDLO CC[C@H](C#N)C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000593741955 342827181 /nfs/dbraw/zinc/82/71/81/342827181.db2.gz SWTXPESLWXIRNE-MRVPVSSYSA-N 1 2 252.343 1.693 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000565209025 361954505 /nfs/dbraw/zinc/95/45/05/361954505.db2.gz MOHGWMBMQZYDSJ-ZDUSSCGKSA-N 1 2 273.336 1.700 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@](C)(C#N)C1 ZINC000594339129 342890791 /nfs/dbraw/zinc/89/07/91/342890791.db2.gz MGMXDJQWRUYYKL-BXUZGUMPSA-N 1 2 260.341 1.741 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@](C)(C#N)C1 ZINC000594339129 342890792 /nfs/dbraw/zinc/89/07/92/342890792.db2.gz MGMXDJQWRUYYKL-BXUZGUMPSA-N 1 2 260.341 1.741 20 30 CDEDLO N#C[C@H]1CC[C@H](n2cc(CC[NH+]3CCOCC3)nn2)C1 ZINC000600812442 342250382 /nfs/dbraw/zinc/25/03/82/342250382.db2.gz FBPSWMAHIBSBLI-JSGCOSHPSA-N 1 2 275.356 1.018 20 30 CDEDLO CCN1CC[NH+]([C@@H]2CCN([C@@H](C#N)c3ccccc3)C2)CC1 ZINC000595309797 343032683 /nfs/dbraw/zinc/03/26/83/343032683.db2.gz BLOZESQGJLKCRJ-MSOLQXFVSA-N 1 2 298.434 1.963 20 30 CDEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595547168 343084317 /nfs/dbraw/zinc/08/43/17/343084317.db2.gz MYAUDGAFDRFRIG-VIFPVBQESA-N 1 2 258.281 1.840 20 30 CDEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595547168 343084318 /nfs/dbraw/zinc/08/43/18/343084318.db2.gz MYAUDGAFDRFRIG-VIFPVBQESA-N 1 2 258.281 1.840 20 30 CDEDLO C[N@H+](Cc1n[nH]c(=O)o1)Cc1ccc(F)c(C#N)c1 ZINC000595548329 343084973 /nfs/dbraw/zinc/08/49/73/343084973.db2.gz WISUWHCOKPSSAE-UHFFFAOYSA-N 1 2 262.244 1.418 20 30 CDEDLO C[N@@H+](Cc1n[nH]c(=O)o1)Cc1ccc(F)c(C#N)c1 ZINC000595548329 343084975 /nfs/dbraw/zinc/08/49/75/343084975.db2.gz WISUWHCOKPSSAE-UHFFFAOYSA-N 1 2 262.244 1.418 20 30 CDEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000076825103 342323620 /nfs/dbraw/zinc/32/36/20/342323620.db2.gz YLQWZHSWTRHGRQ-VFGMZZLHSA-N 1 2 292.404 1.778 20 30 CDEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000076825103 342323621 /nfs/dbraw/zinc/32/36/21/342323621.db2.gz YLQWZHSWTRHGRQ-VFGMZZLHSA-N 1 2 292.404 1.778 20 30 CDEDLO Cc1ccc(C[N@H+]2CCN(C(C)C)C(=O)C2)cc1C#N ZINC000599365103 344026814 /nfs/dbraw/zinc/02/68/14/344026814.db2.gz CLOKGAZPENXNON-UHFFFAOYSA-N 1 2 271.364 1.919 20 30 CDEDLO Cc1ccc(C[N@@H+]2CCN(C(C)C)C(=O)C2)cc1C#N ZINC000599365103 344026816 /nfs/dbraw/zinc/02/68/16/344026816.db2.gz CLOKGAZPENXNON-UHFFFAOYSA-N 1 2 271.364 1.919 20 30 CDEDLO CN(CC(=O)N(C)C1(C#N)CCCCC1)Cc1c[nH+]c[nH]1 ZINC000595597429 343114809 /nfs/dbraw/zinc/11/48/09/343114809.db2.gz PYJCDWVEXDBOAP-UHFFFAOYSA-N 1 2 289.383 1.526 20 30 CDEDLO CN(CC(=O)N(C)C1(C#N)CCCCC1)Cc1c[nH]c[nH+]1 ZINC000595597429 343114811 /nfs/dbraw/zinc/11/48/11/343114811.db2.gz PYJCDWVEXDBOAP-UHFFFAOYSA-N 1 2 289.383 1.526 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000595826251 343166827 /nfs/dbraw/zinc/16/68/27/343166827.db2.gz KVYODFBNEPHVPY-LSDHHAIUSA-N 1 2 274.364 1.925 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000595826251 343166829 /nfs/dbraw/zinc/16/68/29/343166829.db2.gz KVYODFBNEPHVPY-LSDHHAIUSA-N 1 2 274.364 1.925 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000595826249 343166940 /nfs/dbraw/zinc/16/69/40/343166940.db2.gz KVYODFBNEPHVPY-GJZGRUSLSA-N 1 2 274.364 1.925 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000595826249 343166941 /nfs/dbraw/zinc/16/69/41/343166941.db2.gz KVYODFBNEPHVPY-GJZGRUSLSA-N 1 2 274.364 1.925 20 30 CDEDLO N#CC1(C[NH2+][C@H](CO)c2ccc(F)cc2F)CC1 ZINC000595868659 343176149 /nfs/dbraw/zinc/17/61/49/343176149.db2.gz XPJXOHGJTSJMCE-GFCCVEGCSA-N 1 2 252.264 1.892 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CCCNc1cc(C#N)cnn1 ZINC000596060678 343223270 /nfs/dbraw/zinc/22/32/70/343223270.db2.gz WSHIILMRWNCNIV-UHFFFAOYSA-N 1 2 292.346 1.931 20 30 CDEDLO CCc1nc(C#N)cc(N2CCn3c[nH+]cc3C2)n1 ZINC000596239163 343283860 /nfs/dbraw/zinc/28/38/60/343283860.db2.gz YAJJVNHDRWLOSE-UHFFFAOYSA-N 1 2 254.297 1.127 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(C#N)cs1 ZINC000084180154 342378398 /nfs/dbraw/zinc/37/83/98/342378398.db2.gz DTTRWTHPNFYZEU-VIFPVBQESA-N 1 2 260.322 1.635 20 30 CDEDLO N#C[C@@H](CCc1ccccc1)C(=O)NCCn1cc[nH+]c1 ZINC000448694804 362162909 /nfs/dbraw/zinc/16/29/09/362162909.db2.gz QKNOGRCUYQYYPZ-OAHLLOKOSA-N 1 2 282.347 1.772 20 30 CDEDLO CC1(C)C[N@H+](CC(=O)NCC#N)[C@H]1c1ccncc1 ZINC000596591689 343350499 /nfs/dbraw/zinc/35/04/99/343350499.db2.gz JXRNKWPKWUCTKH-ZDUSSCGKSA-N 1 2 258.325 1.104 20 30 CDEDLO CC1(C)C[N@@H+](CC(=O)NCC#N)[C@H]1c1ccncc1 ZINC000596591689 343350502 /nfs/dbraw/zinc/35/05/02/343350502.db2.gz JXRNKWPKWUCTKH-ZDUSSCGKSA-N 1 2 258.325 1.104 20 30 CDEDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCCCC(C)(C)C#N ZINC000444599718 362192849 /nfs/dbraw/zinc/19/28/49/362192849.db2.gz RRXHRLSBLCMAEI-GFCCVEGCSA-N 1 2 295.383 1.070 20 30 CDEDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCCCC(C)(C)C#N ZINC000444599718 362192853 /nfs/dbraw/zinc/19/28/53/362192853.db2.gz RRXHRLSBLCMAEI-GFCCVEGCSA-N 1 2 295.383 1.070 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](C(=O)NCCCC)C1 ZINC000619717030 349867922 /nfs/dbraw/zinc/86/79/22/349867922.db2.gz MSUJGSOYQVCWPO-STQMWFEESA-N 1 2 282.384 1.342 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](C(=O)NCCCC)C1 ZINC000619717030 349867925 /nfs/dbraw/zinc/86/79/25/349867925.db2.gz MSUJGSOYQVCWPO-STQMWFEESA-N 1 2 282.384 1.342 20 30 CDEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000401973011 343838865 /nfs/dbraw/zinc/83/88/65/343838865.db2.gz CLGWGAQMWSLYMS-UHFFFAOYSA-N 1 2 286.379 1.666 20 30 CDEDLO CC[C@H](C)N1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598620208 343844686 /nfs/dbraw/zinc/84/46/86/343844686.db2.gz JPTPDVLFYVXBAY-UONOGXRCSA-N 1 2 267.417 1.703 20 30 CDEDLO Cc1nnc(C[N@H+](C)C[C@H](O)CC(C)(C)C#N)s1 ZINC000598628925 343848541 /nfs/dbraw/zinc/84/85/41/343848541.db2.gz UNFXEGWXSCAQET-SNVBAGLBSA-N 1 2 268.386 1.579 20 30 CDEDLO Cc1nnc(C[N@@H+](C)C[C@H](O)CC(C)(C)C#N)s1 ZINC000598628925 343848542 /nfs/dbraw/zinc/84/85/42/343848542.db2.gz UNFXEGWXSCAQET-SNVBAGLBSA-N 1 2 268.386 1.579 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000598605946 343851991 /nfs/dbraw/zinc/85/19/91/343851991.db2.gz FEQPBSVLRIBGMD-KBPBESRZSA-N 1 2 299.378 1.784 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CC(=O)N1CCCC1 ZINC000623052487 344159586 /nfs/dbraw/zinc/15/95/86/344159586.db2.gz HQPSWSDTOJHIJM-CQSZACIVSA-N 1 2 293.411 1.130 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CCCC1 ZINC000623052487 344159587 /nfs/dbraw/zinc/15/95/87/344159587.db2.gz HQPSWSDTOJHIJM-CQSZACIVSA-N 1 2 293.411 1.130 20 30 CDEDLO CC(C)(C#N)C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000602200578 344373785 /nfs/dbraw/zinc/37/37/85/344373785.db2.gz UMXKVLCOOVVHAN-UHFFFAOYSA-N 1 2 286.379 1.318 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc2oc(=O)n(C)c2c1 ZINC000602464454 344440789 /nfs/dbraw/zinc/44/07/89/344440789.db2.gz XLGFCYRNQMTSGA-JTQLQIEISA-N 1 2 259.309 1.865 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc2oc(=O)n(C)c2c1 ZINC000602464454 344440790 /nfs/dbraw/zinc/44/07/90/344440790.db2.gz XLGFCYRNQMTSGA-JTQLQIEISA-N 1 2 259.309 1.865 20 30 CDEDLO C[C@@H](CCC#N)CNc1ccc(-n2cncn2)c[nH+]1 ZINC000602632548 344507616 /nfs/dbraw/zinc/50/76/16/344507616.db2.gz VLKVCAMPLYFXGB-NSHDSACASA-N 1 2 256.313 1.436 20 30 CDEDLO C=C(C)C[C@H](N[C@H](c1[nH+]ccn1C)C1CC1)C(=O)OC ZINC000602738549 344556465 /nfs/dbraw/zinc/55/64/65/344556465.db2.gz MLWRFQXNUWZLCC-STQMWFEESA-N 1 2 277.368 1.969 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000602860701 344616631 /nfs/dbraw/zinc/61/66/31/344616631.db2.gz FJNUYQQAMPBBOB-MGPQQGTHSA-N 1 2 281.400 1.590 20 30 CDEDLO Cc1cccc(OCCNC(=O)[C@@H](C)[NH2+][C@H](C)CC#N)c1 ZINC000602863340 344626162 /nfs/dbraw/zinc/62/61/62/344626162.db2.gz OQGICIWOJLBAIU-ZIAGYGMSSA-N 1 2 289.379 1.770 20 30 CDEDLO N#CCCN1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000602858474 344631160 /nfs/dbraw/zinc/63/11/60/344631160.db2.gz BHWXCFBRBNSRFQ-UHFFFAOYSA-N 1 2 298.350 1.397 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(C)C1(C#N)CCCCC1 ZINC000602864499 344637823 /nfs/dbraw/zinc/63/78/23/344637823.db2.gz RQUWUCHDLSIMDS-LBPRGKRZSA-N 1 2 262.357 1.563 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000602869851 344640429 /nfs/dbraw/zinc/64/04/29/344640429.db2.gz PSPRNZNECZNAHS-UWVGGRQHSA-N 1 2 292.314 1.754 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000291099479 344690040 /nfs/dbraw/zinc/69/00/40/344690040.db2.gz BJNMIIPJQOVGSK-CQSZACIVSA-N 1 2 293.330 1.290 20 30 CDEDLO N#CCCN1CC[NH+]([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000603016530 344691156 /nfs/dbraw/zinc/69/11/56/344691156.db2.gz HNSMTWLRQXIHTL-INIZCTEOSA-N 1 2 298.390 1.471 20 30 CDEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N[C@@H](C)C(C)C)CC1 ZINC000609486191 344915299 /nfs/dbraw/zinc/91/52/99/344915299.db2.gz FTLIAKOFXYYVMX-GJZGRUSLSA-N 1 2 294.443 1.313 20 30 CDEDLO CCCNC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609486231 344915730 /nfs/dbraw/zinc/91/57/30/344915730.db2.gz GICKQPHOGRDKDC-ZIAGYGMSSA-N 1 2 280.416 1.067 20 30 CDEDLO CC[N@H+](CC(=O)N(C)C)Cc1ccc(C#N)cc1F ZINC000047724192 345869468 /nfs/dbraw/zinc/86/94/68/345869468.db2.gz GGCCYGXMTLIMIA-UHFFFAOYSA-N 1 2 263.316 1.607 20 30 CDEDLO CC[N@@H+](CC(=O)N(C)C)Cc1ccc(C#N)cc1F ZINC000047724192 345869471 /nfs/dbraw/zinc/86/94/71/345869471.db2.gz GGCCYGXMTLIMIA-UHFFFAOYSA-N 1 2 263.316 1.607 20 30 CDEDLO N#CCn1c(C(=O)Nc2cc[nH+]cc2O)cc2ccccc21 ZINC000610491067 346294057 /nfs/dbraw/zinc/29/40/57/346294057.db2.gz XLENKUFVGXTJEZ-UHFFFAOYSA-N 1 2 292.298 1.940 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000610762374 346398174 /nfs/dbraw/zinc/39/81/74/346398174.db2.gz JXENYBJTIAEMFE-QWHCGFSZSA-N 1 2 285.384 1.356 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000610762374 346398178 /nfs/dbraw/zinc/39/81/78/346398178.db2.gz JXENYBJTIAEMFE-QWHCGFSZSA-N 1 2 285.384 1.356 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000584778834 346431381 /nfs/dbraw/zinc/43/13/81/346431381.db2.gz ZBBNJVDHMUNYIS-QWHCGFSZSA-N 1 2 291.395 1.581 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000584778834 346431383 /nfs/dbraw/zinc/43/13/83/346431383.db2.gz ZBBNJVDHMUNYIS-QWHCGFSZSA-N 1 2 291.395 1.581 20 30 CDEDLO C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611173921 346627127 /nfs/dbraw/zinc/62/71/27/346627127.db2.gz RMCIWLWOXPCORU-GJZGRUSLSA-N 1 2 292.427 1.213 20 30 CDEDLO C[N@H+](CC(=O)N1CCCC1)Cc1ccc(C#N)s1 ZINC000611253295 346720692 /nfs/dbraw/zinc/72/06/92/346720692.db2.gz YWNQSESUMGUSET-UHFFFAOYSA-N 1 2 263.366 1.674 20 30 CDEDLO C[N@@H+](CC(=O)N1CCCC1)Cc1ccc(C#N)s1 ZINC000611253295 346720694 /nfs/dbraw/zinc/72/06/94/346720694.db2.gz YWNQSESUMGUSET-UHFFFAOYSA-N 1 2 263.366 1.674 20 30 CDEDLO N#C[C@@H]1CSCCN1C(=O)CCCn1cc[nH+]c1 ZINC000611401093 346775430 /nfs/dbraw/zinc/77/54/30/346775430.db2.gz OCGIGVCFSGYIAO-LLVKDONJSA-N 1 2 264.354 1.131 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(CC3(C#N)CC3)CC2)cc1 ZINC000611429010 346786621 /nfs/dbraw/zinc/78/66/21/346786621.db2.gz YNMOJBCAXIDSDV-UHFFFAOYSA-N 1 2 280.375 1.980 20 30 CDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000450120886 362795266 /nfs/dbraw/zinc/79/52/66/362795266.db2.gz ZUYPMJIEFORBPZ-BHPKHCPMSA-N 1 2 272.352 1.842 20 30 CDEDLO CCCC[N@H+](CC1(C#N)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000450564820 362834787 /nfs/dbraw/zinc/83/47/87/362834787.db2.gz VCQIWRHDFQEDOD-ZDUSSCGKSA-N 1 2 284.425 1.969 20 30 CDEDLO CCCC[N@@H+](CC1(C#N)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000450564820 362834795 /nfs/dbraw/zinc/83/47/95/362834795.db2.gz VCQIWRHDFQEDOD-ZDUSSCGKSA-N 1 2 284.425 1.969 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(NC(=O)CCCCC)CC1 ZINC000619716970 348183216 /nfs/dbraw/zinc/18/32/16/348183216.db2.gz HOWSZTMDOVKACO-CQSZACIVSA-N 1 2 296.411 1.875 20 30 CDEDLO C=C(C)C[N@@H+](C)Cc1nc(-c2ccc(OC)nn2)no1 ZINC000450706940 362861179 /nfs/dbraw/zinc/86/11/79/362861179.db2.gz ZQQQMJHYJDIULZ-UHFFFAOYSA-N 1 2 275.312 1.543 20 30 CDEDLO C=C(C)C[N@H+](C)Cc1nc(-c2ccc(OC)nn2)no1 ZINC000450706940 362861186 /nfs/dbraw/zinc/86/11/86/362861186.db2.gz ZQQQMJHYJDIULZ-UHFFFAOYSA-N 1 2 275.312 1.543 20 30 CDEDLO C=CC[N@@H+](CCc1ccco1)C[C@H](C)S(C)(=O)=O ZINC000450701954 362858446 /nfs/dbraw/zinc/85/84/46/362858446.db2.gz XXIZVQFXRVBNKE-LBPRGKRZSA-N 1 2 271.382 1.743 20 30 CDEDLO C=CC[N@H+](CCc1ccco1)C[C@H](C)S(C)(=O)=O ZINC000450701954 362858448 /nfs/dbraw/zinc/85/84/48/362858448.db2.gz XXIZVQFXRVBNKE-LBPRGKRZSA-N 1 2 271.382 1.743 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc2ncncc2c1 ZINC000414121798 362926868 /nfs/dbraw/zinc/92/68/68/362926868.db2.gz HURJHGJQKWYRMN-CYBMUJFWSA-N 1 2 286.335 1.215 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc2ncncc2c1 ZINC000414121798 362926874 /nfs/dbraw/zinc/92/68/74/362926874.db2.gz HURJHGJQKWYRMN-CYBMUJFWSA-N 1 2 286.335 1.215 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000057869758 348850124 /nfs/dbraw/zinc/85/01/24/348850124.db2.gz QFONMCJTFJMOQM-SECBINFHSA-N 1 2 293.289 1.273 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000057869758 348850128 /nfs/dbraw/zinc/85/01/28/348850128.db2.gz QFONMCJTFJMOQM-SECBINFHSA-N 1 2 293.289 1.273 20 30 CDEDLO N#Cc1cccc(C(=O)NCCNc2cccc[nH+]2)c1 ZINC000063707642 348929821 /nfs/dbraw/zinc/92/98/21/348929821.db2.gz SBXUSWGNPZUTAH-UHFFFAOYSA-N 1 2 266.304 1.795 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(OC)cc2O)CC1 ZINC000068445642 349066858 /nfs/dbraw/zinc/06/68/58/349066858.db2.gz KTRYUAMBWYIXKV-UHFFFAOYSA-N 1 2 288.347 1.182 20 30 CDEDLO Cn1ccnc1[C@@H]([NH2+]Cc1cccc(C#N)n1)C(C)(C)CO ZINC000602679411 350141117 /nfs/dbraw/zinc/14/11/17/350141117.db2.gz KCIJQKYTYAGBSN-CQSZACIVSA-N 1 2 299.378 1.536 20 30 CDEDLO CO[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000602895053 350162342 /nfs/dbraw/zinc/16/23/42/350162342.db2.gz FJONOLRTFYSSOJ-AWEZNQCLSA-N 1 2 262.309 1.242 20 30 CDEDLO CO[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000602895053 350162344 /nfs/dbraw/zinc/16/23/44/350162344.db2.gz FJONOLRTFYSSOJ-AWEZNQCLSA-N 1 2 262.309 1.242 20 30 CDEDLO CC(C)(C#N)C(=O)NCCCCNc1cccc[nH+]1 ZINC000264549098 363092336 /nfs/dbraw/zinc/09/23/36/363092336.db2.gz UCTVDAUCHNCIEH-UHFFFAOYSA-N 1 2 260.341 1.940 20 30 CDEDLO Cc1nc(N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc[nH+]1 ZINC000291985644 198125570 /nfs/dbraw/zinc/12/55/70/198125570.db2.gz XIHMBLFYQMOYIO-ZDUSSCGKSA-N 1 2 281.319 1.709 20 30 CDEDLO C[C@H](CNC(=O)COc1ccccc1C#N)Cn1cc[nH+]c1 ZINC000153463353 188083223 /nfs/dbraw/zinc/08/32/23/188083223.db2.gz WSDVWHOTWLUGBW-CYBMUJFWSA-N 1 2 298.346 1.586 20 30 CDEDLO C#CCC[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000154310595 188134770 /nfs/dbraw/zinc/13/47/70/188134770.db2.gz FXCSVTCCUGXQOA-UHFFFAOYSA-N 1 2 290.314 1.702 20 30 CDEDLO CN(C)c1cc(C#N)cc(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000292601020 198347500 /nfs/dbraw/zinc/34/75/00/198347500.db2.gz WCRSLXOJDSGCTO-UHFFFAOYSA-N 1 2 297.362 1.641 20 30 CDEDLO C[C@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000336248945 363228749 /nfs/dbraw/zinc/22/87/49/363228749.db2.gz CFHZNOULIRZVLD-WFASDCNBSA-N 1 2 273.336 1.474 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)N(C)[C@H](C)C#N)cc2n1C ZINC000336283265 363289513 /nfs/dbraw/zinc/28/95/13/363289513.db2.gz RHZITDZGGNLUQI-SECBINFHSA-N 1 2 256.309 1.866 20 30 CDEDLO Cc1ncsc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330267213 293671283 /nfs/dbraw/zinc/67/12/83/293671283.db2.gz AJISWBODSULVDW-VIFPVBQESA-N 1 2 262.338 1.968 20 30 CDEDLO CCn1cc[nH+]c1/C=C\C(=O)NCC1(C#N)CCC1 ZINC000493190010 366196547 /nfs/dbraw/zinc/19/65/47/366196547.db2.gz AKXLAQRCYWHUMJ-PLNGDYQASA-N 1 2 258.325 1.726 20 30 CDEDLO N#Cc1cccc(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000336435386 356174704 /nfs/dbraw/zinc/17/47/04/356174704.db2.gz BXLHWEGWMLDCDY-AWEZNQCLSA-N 1 2 280.331 1.634 20 30 CDEDLO C[C@H](NC(=O)[C@H](C)[NH+]1CCSCC1)c1nncn1C ZINC000328950931 538443542 /nfs/dbraw/zinc/44/35/42/538443542.db2.gz HPHAJSJSOGCQII-UWVGGRQHSA-N 1 2 283.401 1.270 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1csc(N(C(C)=O)C2CC2)n1 ZINC000352473007 363513749 /nfs/dbraw/zinc/51/37/49/363513749.db2.gz NKPOVMFIROFLGT-SNVBAGLBSA-N 1 2 281.381 1.295 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cn1cc(I)cn1 ZINC000306785042 356660139 /nfs/dbraw/zinc/66/01/39/356660139.db2.gz IRVMGAZEBKSLTE-QMMMGPOBSA-N 1 2 289.120 1.399 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cn1cc(I)cn1 ZINC000306785042 356660144 /nfs/dbraw/zinc/66/01/44/356660144.db2.gz IRVMGAZEBKSLTE-QMMMGPOBSA-N 1 2 289.120 1.399 20 30 CDEDLO N#CCN1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000073100064 357865430 /nfs/dbraw/zinc/86/54/30/357865430.db2.gz BFXHEWHMZUXDBQ-UHFFFAOYSA-N 1 2 295.346 1.154 20 30 CDEDLO CC(C)N(C)c1ccc(C[NH+]2CCN(CC#N)CC2)cn1 ZINC000191306036 358125941 /nfs/dbraw/zinc/12/59/41/358125941.db2.gz RWCOLJNQAXDBSR-UHFFFAOYSA-N 1 2 287.411 1.567 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000518462728 358375487 /nfs/dbraw/zinc/37/54/87/358375487.db2.gz TXZZAXPJEULYJT-CQSZACIVSA-N 1 2 290.323 1.097 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+]([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000592148754 358587621 /nfs/dbraw/zinc/58/76/21/358587621.db2.gz BHSDLAFERLEXRL-RDJZCZTQSA-N 1 2 299.374 1.357 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+]([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000592148754 358587622 /nfs/dbraw/zinc/58/76/22/358587622.db2.gz BHSDLAFERLEXRL-RDJZCZTQSA-N 1 2 299.374 1.357 20 30 CDEDLO COCC[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1OC ZINC000291188072 358890839 /nfs/dbraw/zinc/89/08/39/358890839.db2.gz INDHIMBZOIXUNL-OAHLLOKOSA-N 1 2 290.363 1.804 20 30 CDEDLO COCC[C@@H]1COCC[N@H+]1Cc1ccc(C#N)cc1OC ZINC000291188072 358890842 /nfs/dbraw/zinc/89/08/42/358890842.db2.gz INDHIMBZOIXUNL-OAHLLOKOSA-N 1 2 290.363 1.804 20 30 CDEDLO COCC[C@H]1COCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000291247121 358901762 /nfs/dbraw/zinc/90/17/62/358901762.db2.gz LPEQXDYPXIITIK-NSHDSACASA-N 1 2 266.366 1.857 20 30 CDEDLO COCC[C@H]1COCC[N@H+]1Cc1ccc(C#N)s1 ZINC000291247121 358901765 /nfs/dbraw/zinc/90/17/65/358901765.db2.gz LPEQXDYPXIITIK-NSHDSACASA-N 1 2 266.366 1.857 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1nc(CC)c(C)s1 ZINC000266904392 359347889 /nfs/dbraw/zinc/34/78/89/359347889.db2.gz HJSPMYMLWJEINI-UHFFFAOYSA-N 1 2 265.382 1.908 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1nc(CC)c(C)s1 ZINC000266904392 359347892 /nfs/dbraw/zinc/34/78/92/359347892.db2.gz HJSPMYMLWJEINI-UHFFFAOYSA-N 1 2 265.382 1.908 20 30 CDEDLO C#CC[C@H](NC(=O)NCc1[nH+]ccn1C)c1ccccc1 ZINC000270382312 359398406 /nfs/dbraw/zinc/39/84/06/359398406.db2.gz GFONOMXOHUWOKH-AWEZNQCLSA-N 1 2 282.347 1.984 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C(C)C)on2)CC1 ZINC000270688051 359407662 /nfs/dbraw/zinc/40/76/62/359407662.db2.gz VDEBLQXSDFJLHS-UHFFFAOYSA-N 1 2 275.352 1.579 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1nnc(C(C)(C)C)s1)C1CC1 ZINC000274238456 359496186 /nfs/dbraw/zinc/49/61/86/359496186.db2.gz XMVLABWJDDWHJQ-UHFFFAOYSA-N 1 2 292.408 1.872 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1nnc(C(C)(C)C)s1)C1CC1 ZINC000274238456 359496191 /nfs/dbraw/zinc/49/61/91/359496191.db2.gz XMVLABWJDDWHJQ-UHFFFAOYSA-N 1 2 292.408 1.872 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)C1CC1 ZINC000274137199 359491241 /nfs/dbraw/zinc/49/12/41/359491241.db2.gz JKFSZWQEVFUWFR-UHFFFAOYSA-N 1 2 299.374 1.425 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)C1CC1 ZINC000274137199 359491243 /nfs/dbraw/zinc/49/12/43/359491243.db2.gz JKFSZWQEVFUWFR-UHFFFAOYSA-N 1 2 299.374 1.425 20 30 CDEDLO C#CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000274116438 359492317 /nfs/dbraw/zinc/49/23/17/359492317.db2.gz GGVIUPYPJMLIEY-UHFFFAOYSA-N 1 2 287.319 1.655 20 30 CDEDLO C#CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000274116438 359492319 /nfs/dbraw/zinc/49/23/19/359492319.db2.gz GGVIUPYPJMLIEY-UHFFFAOYSA-N 1 2 287.319 1.655 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1nnc(C(C)C)s1 ZINC000277028552 359555058 /nfs/dbraw/zinc/55/50/58/359555058.db2.gz RZQRQFCTTYYRPZ-UHFFFAOYSA-N 1 2 252.343 1.165 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1nnc(C(C)C)s1 ZINC000277028552 359555064 /nfs/dbraw/zinc/55/50/64/359555064.db2.gz RZQRQFCTTYYRPZ-UHFFFAOYSA-N 1 2 252.343 1.165 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CC[S@@](=O)C[C@@H](C)C2)cc1 ZINC000277535794 359565110 /nfs/dbraw/zinc/56/51/10/359565110.db2.gz QBBWKDFXKXDDEU-VBKZILBWSA-N 1 2 291.416 1.899 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CC[S@@](=O)C[C@@H](C)C2)cc1 ZINC000277535794 359565114 /nfs/dbraw/zinc/56/51/14/359565114.db2.gz QBBWKDFXKXDDEU-VBKZILBWSA-N 1 2 291.416 1.899 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccn(C)c2)n1 ZINC000279416827 359587651 /nfs/dbraw/zinc/58/76/51/359587651.db2.gz OOPUUWQXPFIDRJ-UHFFFAOYSA-N 1 2 256.353 1.877 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccn(C)c2)n1 ZINC000279416827 359587657 /nfs/dbraw/zinc/58/76/57/359587657.db2.gz OOPUUWQXPFIDRJ-UHFFFAOYSA-N 1 2 256.353 1.877 20 30 CDEDLO COc1cc(C[N@@H+]2CCNC(=O)C2(C)C)ccc1C#N ZINC000234984031 359666921 /nfs/dbraw/zinc/66/69/21/359666921.db2.gz GLUQGYAPOCDOFX-UHFFFAOYSA-N 1 2 273.336 1.277 20 30 CDEDLO COc1cc(C[N@H+]2CCNC(=O)C2(C)C)ccc1C#N ZINC000234984031 359666926 /nfs/dbraw/zinc/66/69/26/359666926.db2.gz GLUQGYAPOCDOFX-UHFFFAOYSA-N 1 2 273.336 1.277 20 30 CDEDLO CC#CC[N@@H+](C)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000298096361 200332685 /nfs/dbraw/zinc/33/26/85/200332685.db2.gz IMQYUGLWAQQDBJ-UHFFFAOYSA-N 1 2 299.330 1.577 20 30 CDEDLO CC#CC[N@H+](C)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000298096361 200332687 /nfs/dbraw/zinc/33/26/87/200332687.db2.gz IMQYUGLWAQQDBJ-UHFFFAOYSA-N 1 2 299.330 1.577 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCOC[C@@H]2c2ccccc2)C1=O ZINC000337172505 360009048 /nfs/dbraw/zinc/00/90/48/360009048.db2.gz GOPFBBNFXJVBIC-HZPDHXFCSA-N 1 2 286.375 1.847 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCOC[C@@H]2c2ccccc2)C1=O ZINC000337172505 360009053 /nfs/dbraw/zinc/00/90/53/360009053.db2.gz GOPFBBNFXJVBIC-HZPDHXFCSA-N 1 2 286.375 1.847 20 30 CDEDLO N#Cc1ccccc1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000033666156 360066459 /nfs/dbraw/zinc/06/64/59/360066459.db2.gz CFIDRHUPEUVKLB-UHFFFAOYSA-N 1 2 267.336 1.604 20 30 CDEDLO N#Cc1csc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000176992873 189019150 /nfs/dbraw/zinc/01/91/50/189019150.db2.gz BTUNXMDNZKIOHE-GFCCVEGCSA-N 1 2 275.377 1.930 20 30 CDEDLO N#Cc1csc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000176992873 189019151 /nfs/dbraw/zinc/01/91/51/189019151.db2.gz BTUNXMDNZKIOHE-GFCCVEGCSA-N 1 2 275.377 1.930 20 30 CDEDLO C[C@H](CNC(=O)Cc1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000176401127 360269702 /nfs/dbraw/zinc/26/97/02/360269702.db2.gz PCBMVAOCMJFVPG-CYBMUJFWSA-N 1 2 282.347 1.750 20 30 CDEDLO CCCC[N@H+](CC(N)=O)Cc1cc(C#N)ccc1OC ZINC000130443019 360477833 /nfs/dbraw/zinc/47/78/33/360477833.db2.gz PCMBCVILNCBSKO-UHFFFAOYSA-N 1 2 275.352 1.654 20 30 CDEDLO CCCC[N@@H+](CC(N)=O)Cc1cc(C#N)ccc1OC ZINC000130443019 360477836 /nfs/dbraw/zinc/47/78/36/360477836.db2.gz PCMBCVILNCBSKO-UHFFFAOYSA-N 1 2 275.352 1.654 20 30 CDEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NC[C@@H]1CCCO1 ZINC000112673627 360529363 /nfs/dbraw/zinc/52/93/63/360529363.db2.gz WCFIRZYGMDLUPG-ZDUSSCGKSA-N 1 2 281.400 1.543 20 30 CDEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NC[C@@H]1CCCO1 ZINC000112673627 360529365 /nfs/dbraw/zinc/52/93/65/360529365.db2.gz WCFIRZYGMDLUPG-ZDUSSCGKSA-N 1 2 281.400 1.543 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000245619258 360721176 /nfs/dbraw/zinc/72/11/76/360721176.db2.gz DQSZAFQQPNBITQ-FQUUOJAGSA-N 1 2 281.400 1.539 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)Cc2ccccc2O1 ZINC000429142610 360764768 /nfs/dbraw/zinc/76/47/68/360764768.db2.gz OPVRBZLMFDDVAQ-CYBMUJFWSA-N 1 2 299.374 1.832 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)Cc2ccccc2O1 ZINC000429142610 360764772 /nfs/dbraw/zinc/76/47/72/360764772.db2.gz OPVRBZLMFDDVAQ-CYBMUJFWSA-N 1 2 299.374 1.832 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000432100199 361105887 /nfs/dbraw/zinc/10/58/87/361105887.db2.gz VUHONQOAEUFPND-UHFFFAOYSA-N 1 2 297.443 1.999 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000432100199 361105888 /nfs/dbraw/zinc/10/58/88/361105888.db2.gz VUHONQOAEUFPND-UHFFFAOYSA-N 1 2 297.443 1.999 20 30 CDEDLO CCC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000248029776 361252670 /nfs/dbraw/zinc/25/26/70/361252670.db2.gz KDSRTUCYOLPEOQ-CHWSQXEVSA-N 1 2 267.373 1.248 20 30 CDEDLO CCC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000248029776 361252676 /nfs/dbraw/zinc/25/26/76/361252676.db2.gz KDSRTUCYOLPEOQ-CHWSQXEVSA-N 1 2 267.373 1.248 20 30 CDEDLO O=C(NCC[NH+]1CCOCC1)NC[C@H]1CCCCS1 ZINC000329346932 361485488 /nfs/dbraw/zinc/48/54/88/361485488.db2.gz VJJKRJBYLQJWDF-GFCCVEGCSA-N 1 2 287.429 1.108 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+](CCOC)CC1 ZINC000437874088 361693517 /nfs/dbraw/zinc/69/35/17/361693517.db2.gz QPHODMKWWZDYHY-HNNXBMFYSA-N 1 2 284.400 1.006 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3CC3)CC2)nc1 ZINC000581526658 363998794 /nfs/dbraw/zinc/99/87/94/363998794.db2.gz AAESMLQQCRUSEY-UHFFFAOYSA-N 1 2 284.363 1.398 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)nc1 ZINC000581526658 363998800 /nfs/dbraw/zinc/99/88/00/363998800.db2.gz AAESMLQQCRUSEY-UHFFFAOYSA-N 1 2 284.363 1.398 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000527048166 364060480 /nfs/dbraw/zinc/06/04/80/364060480.db2.gz JPQNFAMRASCXDE-LBPRGKRZSA-N 1 2 299.374 1.701 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2ccc(O)cc2C1 ZINC000527048166 364060482 /nfs/dbraw/zinc/06/04/82/364060482.db2.gz JPQNFAMRASCXDE-LBPRGKRZSA-N 1 2 299.374 1.701 20 30 CDEDLO COC[C@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000249418070 364689297 /nfs/dbraw/zinc/68/92/97/364689297.db2.gz ZYGSEXAIDZZCDR-IUODEOHRSA-N 1 2 260.337 1.966 20 30 CDEDLO COC[C@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000249418070 364689299 /nfs/dbraw/zinc/68/92/99/364689299.db2.gz ZYGSEXAIDZZCDR-IUODEOHRSA-N 1 2 260.337 1.966 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)[C@]2(C#N)CC23CCCC3)CCO1 ZINC000563934538 364756613 /nfs/dbraw/zinc/75/66/13/364756613.db2.gz KNZPRCSGWIVPHW-XJKSGUPXSA-N 1 2 291.395 1.297 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)[C@]2(C#N)CC23CCCC3)CCO1 ZINC000563934538 364756621 /nfs/dbraw/zinc/75/66/21/364756621.db2.gz KNZPRCSGWIVPHW-XJKSGUPXSA-N 1 2 291.395 1.297 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccccc2N(C)C)nn1 ZINC000641061853 364917419 /nfs/dbraw/zinc/91/74/19/364917419.db2.gz IBZPNSPGPISPAO-UHFFFAOYSA-N 1 2 283.379 1.505 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCc2ccccc2F)nn1 ZINC000641188178 365192885 /nfs/dbraw/zinc/19/28/85/365192885.db2.gz HIQLGEWDQPXKMZ-UHFFFAOYSA-N 1 2 272.327 1.773 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)[C@H](C)c2ccccc2)nn1 ZINC000641219495 365230123 /nfs/dbraw/zinc/23/01/23/365230123.db2.gz IAXSMVRYSQYKPA-PBHICJAKSA-N 1 2 298.390 1.556 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCCCn1cc[nH+]c1 ZINC000275650250 193095656 /nfs/dbraw/zinc/09/56/56/193095656.db2.gz BWSMXCFSOCAXSM-CQSZACIVSA-N 1 2 265.357 1.618 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000275677927 193102857 /nfs/dbraw/zinc/10/28/57/193102857.db2.gz GWDDVSOVDVGRJD-JSGCOSHPSA-N 1 2 265.357 1.617 20 30 CDEDLO C[C@H]([NH2+]Cc1ncn(C)n1)c1ccc(C#N)c(F)c1 ZINC000271972337 367045882 /nfs/dbraw/zinc/04/58/82/367045882.db2.gz UQGGAEBGSOMGGT-VIFPVBQESA-N 1 2 259.288 1.677 20 30 CDEDLO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000122645009 367468141 /nfs/dbraw/zinc/46/81/41/367468141.db2.gz LQFQWGWSTHJCIO-CQSZACIVSA-N 1 2 297.362 1.259 20 30 CDEDLO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000122645009 367468146 /nfs/dbraw/zinc/46/81/46/367468146.db2.gz LQFQWGWSTHJCIO-CQSZACIVSA-N 1 2 297.362 1.259 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000272497649 367743939 /nfs/dbraw/zinc/74/39/39/367743939.db2.gz DFTCLKGRCPSZNK-CQDKDKBSSA-N 1 2 288.347 1.475 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000272497649 367743942 /nfs/dbraw/zinc/74/39/42/367743942.db2.gz DFTCLKGRCPSZNK-CQDKDKBSSA-N 1 2 288.347 1.475 20 30 CDEDLO C=CCN1CC[C@H](N(C)c2cc[nH+]c3ccncc32)C1=O ZINC000358656724 367851705 /nfs/dbraw/zinc/85/17/05/367851705.db2.gz CCDJXEKXWFNVMT-HNNXBMFYSA-N 1 2 282.347 1.853 20 30 CDEDLO Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(CC#N)CC2)on1 ZINC000541951227 368709958 /nfs/dbraw/zinc/70/99/58/368709958.db2.gz CWJGZSXNQXDLLC-NSHDSACASA-N 1 2 276.340 1.936 20 30 CDEDLO COC(=O)C1(O)CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000330658720 203087844 /nfs/dbraw/zinc/08/78/44/203087844.db2.gz XEMMJOWPIGDXFI-UHFFFAOYSA-N 1 2 292.310 1.197 20 30 CDEDLO CC1(C)C[N@H+](CC(=O)NCc2ccc(C#N)cc2)CCO1 ZINC000330696837 203127185 /nfs/dbraw/zinc/12/71/85/203127185.db2.gz KCFQEXOZJFPUTC-UHFFFAOYSA-N 1 2 287.363 1.285 20 30 CDEDLO CC1(C)C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)CCO1 ZINC000330696837 203127188 /nfs/dbraw/zinc/12/71/88/203127188.db2.gz KCFQEXOZJFPUTC-UHFFFAOYSA-N 1 2 287.363 1.285 20 30 CDEDLO C=C(C)CS(=O)(=O)NCc1cn2ccccc2[nH+]1 ZINC000276577456 193387542 /nfs/dbraw/zinc/38/75/42/193387542.db2.gz OBFCRBUEQQICHY-UHFFFAOYSA-N 1 2 265.338 1.330 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH2+]CC(=O)Nc1ccccc1 ZINC000554552358 370225644 /nfs/dbraw/zinc/22/56/44/370225644.db2.gz URVDYNHPPVWYLH-LBPRGKRZSA-N 1 2 256.309 1.658 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2scnc2C)CC1 ZINC000371751317 370399798 /nfs/dbraw/zinc/39/97/98/370399798.db2.gz UWGBFBISASRIQI-UHFFFAOYSA-N 1 2 277.393 1.623 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2scnc2C)CC1 ZINC000371751317 370399803 /nfs/dbraw/zinc/39/98/03/370399803.db2.gz UWGBFBISASRIQI-UHFFFAOYSA-N 1 2 277.393 1.623 20 30 CDEDLO N#CCC1(CNC(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000565811263 370539198 /nfs/dbraw/zinc/53/91/98/370539198.db2.gz RVHUYBVMTGUIKA-UHFFFAOYSA-N 1 2 275.356 1.656 20 30 CDEDLO C=CCNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171149443 372167821 /nfs/dbraw/zinc/16/78/21/372167821.db2.gz YVXTZJRBXOMNRF-UHFFFAOYSA-N 1 2 280.397 1.546 20 30 CDEDLO C=CCNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171149443 372167830 /nfs/dbraw/zinc/16/78/30/372167830.db2.gz YVXTZJRBXOMNRF-UHFFFAOYSA-N 1 2 280.397 1.546 20 30 CDEDLO C=CC[NH+]1CCC(NC(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000171722258 372214594 /nfs/dbraw/zinc/21/45/94/372214594.db2.gz PUOKCYOWNCICNM-UHFFFAOYSA-N 1 2 285.351 1.338 20 30 CDEDLO O=C(N[C@@H]1C=C[C@H](CO)C1)C1CC[NH+](CC(F)F)CC1 ZINC000329220342 227361122 /nfs/dbraw/zinc/36/11/22/227361122.db2.gz TUAPPWLCEDAZMV-CMPLNLGQSA-N 1 2 288.338 1.857 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)c1ccc(C#N)s1 ZINC000348241993 373090761 /nfs/dbraw/zinc/09/07/61/373090761.db2.gz QOGDDHLPZVKGON-UHFFFAOYSA-N 1 2 273.317 1.953 20 30 CDEDLO CC[N@H+](Cc1ccc(C#N)c(F)c1)[C@H](C)CS(C)(=O)=O ZINC000192023729 373572900 /nfs/dbraw/zinc/57/29/00/373572900.db2.gz NDWHJOFFFSHNES-LLVKDONJSA-N 1 2 298.383 1.952 20 30 CDEDLO CC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H](C)CS(C)(=O)=O ZINC000192023729 373572907 /nfs/dbraw/zinc/57/29/07/373572907.db2.gz NDWHJOFFFSHNES-LLVKDONJSA-N 1 2 298.383 1.952 20 30 CDEDLO N#Cc1ccc(N2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000301825802 373920532 /nfs/dbraw/zinc/92/05/32/373920532.db2.gz DXFPSMBMLQXUKR-UHFFFAOYSA-N 1 2 266.308 1.070 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)[nH]1 ZINC000123294928 374132876 /nfs/dbraw/zinc/13/28/76/374132876.db2.gz WIRKMRIPVOLEGU-CYBMUJFWSA-N 1 2 282.303 1.575 20 30 CDEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000113257429 374247690 /nfs/dbraw/zinc/24/76/90/374247690.db2.gz GUGCYUMKOQJVQH-VXGBXAGGSA-N 1 2 280.393 1.812 20 30 CDEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000113257429 374247694 /nfs/dbraw/zinc/24/76/94/374247694.db2.gz GUGCYUMKOQJVQH-VXGBXAGGSA-N 1 2 280.393 1.812 20 30 CDEDLO CC(=O)c1cccc(C[NH+]2CCN(CCC#N)CC2)c1 ZINC000640140033 374302449 /nfs/dbraw/zinc/30/24/49/374302449.db2.gz USUIVMHMAQJVPO-UHFFFAOYSA-N 1 2 271.364 1.920 20 30 CDEDLO CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000334150048 206094731 /nfs/dbraw/zinc/09/47/31/206094731.db2.gz KDGHSRIUYNUTED-ZDUSSCGKSA-N 1 2 276.315 1.201 20 30 CDEDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000334150048 206094736 /nfs/dbraw/zinc/09/47/36/206094736.db2.gz KDGHSRIUYNUTED-ZDUSSCGKSA-N 1 2 276.315 1.201 20 30 CDEDLO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2ccccc2C#N)C1 ZINC000277674288 374801544 /nfs/dbraw/zinc/80/15/44/374801544.db2.gz FWNCNDKGBWFXEP-OAHLLOKOSA-N 1 2 292.404 1.957 20 30 CDEDLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000277674288 374801551 /nfs/dbraw/zinc/80/15/51/374801551.db2.gz FWNCNDKGBWFXEP-OAHLLOKOSA-N 1 2 292.404 1.957 20 30 CDEDLO N#Cc1ccc(C(=O)NCC2([NH+]3CCOCC3)CC2)cc1 ZINC000277939279 374825510 /nfs/dbraw/zinc/82/55/10/374825510.db2.gz OCQJYTLQMQIXRS-UHFFFAOYSA-N 1 2 285.347 1.153 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000131068142 375159996 /nfs/dbraw/zinc/15/99/96/375159996.db2.gz WNYLCFNVLJEVGO-RISCZKNCSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000131068142 375160002 /nfs/dbraw/zinc/16/00/02/375160002.db2.gz WNYLCFNVLJEVGO-RISCZKNCSA-N 1 2 276.336 1.148 20 30 CDEDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC000131749179 375335024 /nfs/dbraw/zinc/33/50/24/375335024.db2.gz NSMHNLLTUYBMEQ-CYBMUJFWSA-N 1 2 274.320 1.704 20 30 CDEDLO COC(=O)[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1OC ZINC000131749179 375335030 /nfs/dbraw/zinc/33/50/30/375335030.db2.gz NSMHNLLTUYBMEQ-CYBMUJFWSA-N 1 2 274.320 1.704 20 30 CDEDLO COc1cc(CNC(=O)C=Cc2c[nH]c[nH+]2)ccc1C#N ZINC000493466042 375456694 /nfs/dbraw/zinc/45/66/94/375456694.db2.gz ZLHBLDCOHQFEDY-SNAWJCMRSA-N 1 2 282.303 1.620 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000054670439 375762206 /nfs/dbraw/zinc/76/22/06/375762206.db2.gz JZOXFHRDFPGWNK-UHFFFAOYSA-N 1 2 279.365 1.118 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC000054670439 375762210 /nfs/dbraw/zinc/76/22/10/375762210.db2.gz JZOXFHRDFPGWNK-UHFFFAOYSA-N 1 2 279.365 1.118 20 30 CDEDLO C[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CCCO1 ZINC000328604724 375891065 /nfs/dbraw/zinc/89/10/65/375891065.db2.gz IVFQFWMIWOSPCP-OLZOCXBDSA-N 1 2 292.383 1.785 20 30 CDEDLO C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)[NH+]1CCOCC1 ZINC000328818706 375964958 /nfs/dbraw/zinc/96/49/58/375964958.db2.gz QHAROYCACVJCHV-GHMZBOCLSA-N 1 2 269.345 1.173 20 30 CDEDLO N#C[C@H]1CC[C@@H]([NH+]2CCC(c3n[nH]c(=O)[nH]3)CC2)C1 ZINC000328801945 375975075 /nfs/dbraw/zinc/97/50/75/375975075.db2.gz ZNHXSFURJIXBBH-GXSJLCMTSA-N 1 2 261.329 1.382 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)NC[C@](C)(O)C1CC1 ZINC000328843794 375983428 /nfs/dbraw/zinc/98/34/28/375983428.db2.gz PQMYRMVQLWSJKC-ZDUSSCGKSA-N 1 2 251.330 1.470 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000245630960 376121107 /nfs/dbraw/zinc/12/11/07/376121107.db2.gz UHLOLPYVZBSFMZ-ZBFHGGJFSA-N 1 2 288.391 1.621 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000245630960 376121116 /nfs/dbraw/zinc/12/11/16/376121116.db2.gz UHLOLPYVZBSFMZ-ZBFHGGJFSA-N 1 2 288.391 1.621 20 30 CDEDLO CS(=O)(=O)CC1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000430150875 247573894 /nfs/dbraw/zinc/57/38/94/247573894.db2.gz QLXIZEVRFCLFSB-UHFFFAOYSA-N 1 2 298.433 1.876 20 30 CDEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000172395120 377508007 /nfs/dbraw/zinc/50/80/07/377508007.db2.gz NTSLPXOBDDQJGB-LBPRGKRZSA-N 1 2 293.392 1.196 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000571970758 377627975 /nfs/dbraw/zinc/62/79/75/377627975.db2.gz GSSCOQWDBCXKQT-XQQFMLRXSA-N 1 2 263.341 1.227 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000280700318 377971315 /nfs/dbraw/zinc/97/13/15/377971315.db2.gz GXHXLBTZHJQWCN-KGLIPLIRSA-N 1 2 264.369 1.440 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000280700318 377971321 /nfs/dbraw/zinc/97/13/21/377971321.db2.gz GXHXLBTZHJQWCN-KGLIPLIRSA-N 1 2 264.369 1.440 20 30 CDEDLO CC#CC[C@H](CO)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000645404824 378152225 /nfs/dbraw/zinc/15/22/25/378152225.db2.gz OTYJRSMUXNJGST-GFCCVEGCSA-N 1 2 259.353 1.850 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000192225833 378178003 /nfs/dbraw/zinc/17/80/03/378178003.db2.gz RBNRRUATOYVGOM-UHFFFAOYSA-N 1 2 266.728 1.852 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000192225833 378178007 /nfs/dbraw/zinc/17/80/07/378178007.db2.gz RBNRRUATOYVGOM-UHFFFAOYSA-N 1 2 266.728 1.852 20 30 CDEDLO C#Cc1ccccc1CC(=O)N1CCn2c[nH+]cc2C1 ZINC000290887514 378416887 /nfs/dbraw/zinc/41/68/87/378416887.db2.gz FITLTUWGJCFNKP-UHFFFAOYSA-N 1 2 265.316 1.449 20 30 CDEDLO CC#CC[N@H+](C)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000293131452 378540577 /nfs/dbraw/zinc/54/05/77/378540577.db2.gz MVNWHEDEQPHHCS-AWEZNQCLSA-N 1 2 281.377 1.079 20 30 CDEDLO CC#CC[N@@H+](C)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000293131452 378540579 /nfs/dbraw/zinc/54/05/79/378540579.db2.gz MVNWHEDEQPHHCS-AWEZNQCLSA-N 1 2 281.377 1.079 20 30 CDEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000292976744 378530110 /nfs/dbraw/zinc/53/01/10/378530110.db2.gz AZSBVOOIWAOQQJ-GFCCVEGCSA-N 1 2 287.363 1.328 20 30 CDEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000292976744 378530122 /nfs/dbraw/zinc/53/01/22/378530122.db2.gz AZSBVOOIWAOQQJ-GFCCVEGCSA-N 1 2 287.363 1.328 20 30 CDEDLO C=CCCCS(=O)(=O)Nc1ncnn1-c1cc[nH+]cc1 ZINC000295229847 378664224 /nfs/dbraw/zinc/66/42/24/378664224.db2.gz SNDAVVKHXDMILS-UHFFFAOYSA-N 1 2 293.352 1.370 20 30 CDEDLO CC(C)[C@H](CNc1cc(C#N)ccn1)N1CC[NH+](C)CC1 ZINC000040770414 378715906 /nfs/dbraw/zinc/71/59/06/378715906.db2.gz NOBAJYSNLAJWTI-HNNXBMFYSA-N 1 2 287.411 1.637 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C(C)C)CC1 ZINC000296096629 378717215 /nfs/dbraw/zinc/71/72/15/378717215.db2.gz 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/nfs/dbraw/zinc/96/13/50/412961350.db2.gz XCPYRNZPCNUTEC-JTQLQIEISA-N 1 2 286.335 1.662 20 30 CDEDLO C#CC[NH+]1CCN(c2ccnc(-c3ccccc3)n2)CC1 ZINC000264070160 533158065 /nfs/dbraw/zinc/15/80/65/533158065.db2.gz GEZHNLKLIUVDQE-UHFFFAOYSA-N 1 2 278.359 1.899 20 30 CDEDLO C=C(CNC(=O)C(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC000288002437 196985686 /nfs/dbraw/zinc/98/56/86/196985686.db2.gz BVHFBDVUGBBHIY-UHFFFAOYSA-N 1 2 288.391 1.927 20 30 CDEDLO C=CCN1CC[C@@H]([NH2+][C@@H](COC)c2ccc(C)o2)C1=O ZINC000281447010 195243481 /nfs/dbraw/zinc/24/34/81/195243481.db2.gz UKLZDVOVYDHPAW-OLZOCXBDSA-N 1 2 278.352 1.652 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000336801095 262395164 /nfs/dbraw/zinc/39/51/64/262395164.db2.gz OUCHLSYMGURRQO-ZJUUUORDSA-N 1 2 277.290 1.631 20 30 CDEDLO CC(C)(C)C[N@H+](CCC#N)CCN1CCCS1(=O)=O ZINC000336804691 262395807 /nfs/dbraw/zinc/39/58/07/262395807.db2.gz IDHWBALFQNMFRU-UHFFFAOYSA-N 1 2 287.429 1.284 20 30 CDEDLO CC(C)(C)C[N@@H+](CCC#N)CCN1CCCS1(=O)=O ZINC000336804691 262395808 /nfs/dbraw/zinc/39/58/08/262395808.db2.gz IDHWBALFQNMFRU-UHFFFAOYSA-N 1 2 287.429 1.284 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000281575408 195293764 /nfs/dbraw/zinc/29/37/64/195293764.db2.gz URELWDWQWSTPNK-GUYCJALGSA-N 1 2 299.374 1.974 20 30 CDEDLO N#CCC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000358613258 390800833 /nfs/dbraw/zinc/80/08/33/390800833.db2.gz GVCWXRPHNFDJHP-UHFFFAOYSA-N 1 2 270.292 1.814 20 30 CDEDLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1CCCC#N ZINC000368117989 390812546 /nfs/dbraw/zinc/81/25/46/390812546.db2.gz HHIKEDUFFJMPOG-AWEZNQCLSA-N 1 2 257.337 1.772 20 30 CDEDLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1CCCC#N ZINC000368117989 390812549 /nfs/dbraw/zinc/81/25/49/390812549.db2.gz HHIKEDUFFJMPOG-AWEZNQCLSA-N 1 2 257.337 1.772 20 30 CDEDLO Cc1cccc2[nH+]c(CNC(=O)C3(C#N)CCC3)cn21 ZINC000134895922 390939571 /nfs/dbraw/zinc/93/95/71/390939571.db2.gz MYJRQCRKUILHRB-UHFFFAOYSA-N 1 2 268.320 1.953 20 30 CDEDLO N#CC1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCCCC1 ZINC000363544473 390943044 /nfs/dbraw/zinc/94/30/44/390943044.db2.gz JVTFZYVPLOSNDH-AWEZNQCLSA-N 1 2 291.395 1.394 20 30 CDEDLO COC(=O)[C@H]1CCN(c2cc(C)[nH+]cc2C#N)[C@@H]1C ZINC000425256066 390898761 /nfs/dbraw/zinc/89/87/61/390898761.db2.gz OIFXAKWNJFUIHB-PWSUYJOCSA-N 1 2 259.309 1.650 20 30 CDEDLO Cc1cc(N2CC[C@H](CS(C)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000425267033 390901466 /nfs/dbraw/zinc/90/14/66/390901466.db2.gz KLFBVKVNAOBESG-NSHDSACASA-N 1 2 279.365 1.133 20 30 CDEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C1(C#N)CCCC1 ZINC000408272049 390910840 /nfs/dbraw/zinc/91/08/40/390910840.db2.gz WHCQZCULXGPPOB-UHFFFAOYSA-N 1 2 293.411 1.640 20 30 CDEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C1(C#N)CCCC1 ZINC000408272049 390910842 /nfs/dbraw/zinc/91/08/42/390910842.db2.gz WHCQZCULXGPPOB-UHFFFAOYSA-N 1 2 293.411 1.640 20 30 CDEDLO CC#CCC[N@@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000155782931 390920078 /nfs/dbraw/zinc/92/00/78/390920078.db2.gz YGERBWKPDUUARJ-UHFFFAOYSA-N 1 2 274.339 1.883 20 30 CDEDLO CC#CCC[N@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000155782931 390920079 /nfs/dbraw/zinc/92/00/79/390920079.db2.gz YGERBWKPDUUARJ-UHFFFAOYSA-N 1 2 274.339 1.883 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000365234292 390967626 /nfs/dbraw/zinc/96/76/26/390967626.db2.gz NJDWXIFNZJDEFV-UONOGXRCSA-N 1 2 291.351 1.049 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000365234292 390967627 /nfs/dbraw/zinc/96/76/27/390967627.db2.gz NJDWXIFNZJDEFV-UONOGXRCSA-N 1 2 291.351 1.049 20 30 CDEDLO O=C(NCC1([NH+]2CCOCC2)CC1)N[C@@H]1CC[C@H](F)C1 ZINC000329443916 390989113 /nfs/dbraw/zinc/98/91/13/390989113.db2.gz KNGWNWXYUXTCTE-NWDGAFQWSA-N 1 2 285.363 1.245 20 30 CDEDLO C=C[C@H](CO)Nc1cc(NCCCC)[nH+]c(N)n1 ZINC000291184633 390999063 /nfs/dbraw/zinc/99/90/63/390999063.db2.gz SEIQPCHGKPLGFX-SECBINFHSA-N 1 2 251.334 1.230 20 30 CDEDLO C=C[C@H](CO)Nc1cc(NCCCC)nc(N)[nH+]1 ZINC000291184633 390999068 /nfs/dbraw/zinc/99/90/68/390999068.db2.gz SEIQPCHGKPLGFX-SECBINFHSA-N 1 2 251.334 1.230 20 30 CDEDLO CCC[C@]1([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CCOC1 ZINC000329525521 391005329 /nfs/dbraw/zinc/00/53/29/391005329.db2.gz HDNBLCFOKLOHAO-DOMZBBRYSA-N 1 2 292.383 1.661 20 30 CDEDLO Cc1[nH]c(C(=O)NCc2nnc(C3CCC3)n2C)c[nH+]1 ZINC000329614595 391032370 /nfs/dbraw/zinc/03/23/70/391032370.db2.gz SCNVODLGCWNCKV-UHFFFAOYSA-N 1 2 274.328 1.619 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000373494955 391121273 /nfs/dbraw/zinc/12/12/73/391121273.db2.gz DLGQSPXIYJWHGG-ZBFHGGJFSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000373494955 391121278 /nfs/dbraw/zinc/12/12/78/391121278.db2.gz DLGQSPXIYJWHGG-ZBFHGGJFSA-N 1 2 296.411 1.291 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)N(CCC#N)c1ccccc1 ZINC000266953142 391183757 /nfs/dbraw/zinc/18/37/57/391183757.db2.gz UULJGNCPARBQCS-UHFFFAOYSA-N 1 2 269.348 1.888 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)N(CCC#N)c1ccccc1 ZINC000266953142 391183760 /nfs/dbraw/zinc/18/37/60/391183760.db2.gz UULJGNCPARBQCS-UHFFFAOYSA-N 1 2 269.348 1.888 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cc1cccc(OCC#N)c1 ZINC000270454957 391275621 /nfs/dbraw/zinc/27/56/21/391275621.db2.gz OXNLMVIIZQWZBP-CYBMUJFWSA-N 1 2 298.346 1.533 20 30 CDEDLO C#CCCCO[NH+]=C(N)COc1cccc(C(=O)OC)c1 ZINC000270895073 391281764 /nfs/dbraw/zinc/28/17/64/391281764.db2.gz IFUZOWMAXHOQGS-UHFFFAOYSA-N 1 2 290.319 1.554 20 30 CDEDLO C=C(C)C[N@@H+](CC(=O)NC)Cc1cnn(C(C)C)c1 ZINC000352950226 391316670 /nfs/dbraw/zinc/31/66/70/391316670.db2.gz MKFYCGMPGNEUKY-UHFFFAOYSA-N 1 2 264.373 1.588 20 30 CDEDLO C=C(C)C[N@H+](CC(=O)NC)Cc1cnn(C(C)C)c1 ZINC000352950226 391316672 /nfs/dbraw/zinc/31/66/72/391316672.db2.gz MKFYCGMPGNEUKY-UHFFFAOYSA-N 1 2 264.373 1.588 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1c(F)cccc1F ZINC000339750261 391346706 /nfs/dbraw/zinc/34/67/06/391346706.db2.gz BYHHDSHXIVEECA-UHFFFAOYSA-N 1 2 252.264 1.858 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1c(F)cccc1F ZINC000339750261 391346709 /nfs/dbraw/zinc/34/67/09/391346709.db2.gz BYHHDSHXIVEECA-UHFFFAOYSA-N 1 2 252.264 1.858 20 30 CDEDLO CC(C)[C@H](C#N)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000346402438 391350890 /nfs/dbraw/zinc/35/08/90/391350890.db2.gz OKQBOMJLEPSNHF-MJBXVCDLSA-N 1 2 286.379 1.818 20 30 CDEDLO C=CCn1c(=O)[nH]nc1SCc1cc[nH+]c(N)c1 ZINC000193092484 391357184 /nfs/dbraw/zinc/35/71/84/391357184.db2.gz BNFSWWLIHRWFSR-UHFFFAOYSA-N 1 2 263.326 1.027 20 30 CDEDLO C=CCOCC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000347000734 391382626 /nfs/dbraw/zinc/38/26/26/391382626.db2.gz ZXRCDHFURQRREU-UHFFFAOYSA-N 1 2 279.384 1.887 20 30 CDEDLO Cc1[nH+]ccn1CC[NH+]=C([O-])N1CC[C@@H](C2CC2)C1 ZINC000328922846 391394053 /nfs/dbraw/zinc/39/40/53/391394053.db2.gz MTDFITRRKQGRJJ-CYBMUJFWSA-N 1 2 262.357 1.837 20 30 CDEDLO N#CC1(C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000328965476 391400179 /nfs/dbraw/zinc/40/01/79/391400179.db2.gz MJURLRCWKOYFGF-XQQFMLRXSA-N 1 2 250.342 1.152 20 30 CDEDLO N#CC1(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000328965476 391400181 /nfs/dbraw/zinc/40/01/81/391400181.db2.gz MJURLRCWKOYFGF-XQQFMLRXSA-N 1 2 250.342 1.152 20 30 CDEDLO C=CCCC1(C(=O)NC[C@H](C)[NH+]2CCOCC2)CC1 ZINC000354425698 391419474 /nfs/dbraw/zinc/41/94/74/391419474.db2.gz RYPYUFDJROABOB-ZDUSSCGKSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000340027819 391627518 /nfs/dbraw/zinc/62/75/18/391627518.db2.gz FUJSWARPFNZXOE-CYBMUJFWSA-N 1 2 267.417 1.341 20 30 CDEDLO CN(C)C(=O)C[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437432978 391652336 /nfs/dbraw/zinc/65/23/36/391652336.db2.gz NCBGVJVYCBMORJ-UHFFFAOYSA-N 1 2 297.305 1.680 20 30 CDEDLO CN(C)C(=O)C[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437432978 391652340 /nfs/dbraw/zinc/65/23/40/391652340.db2.gz NCBGVJVYCBMORJ-UHFFFAOYSA-N 1 2 297.305 1.680 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H]1CCC(C)(C)C1)C(=O)OC ZINC000361113251 391683599 /nfs/dbraw/zinc/68/35/99/391683599.db2.gz LHAIGJNQMGFVAN-NEPJUHHUSA-N 1 2 255.358 1.899 20 30 CDEDLO C#CC(C)(C)[N@H+](C)CCS(=O)(=O)c1ccc(F)cc1 ZINC000285978188 391722782 /nfs/dbraw/zinc/72/27/82/391722782.db2.gz FCQNEYDMBJKRGD-UHFFFAOYSA-N 1 2 283.368 1.943 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)CCS(=O)(=O)c1ccc(F)cc1 ZINC000285978188 391722785 /nfs/dbraw/zinc/72/27/85/391722785.db2.gz FCQNEYDMBJKRGD-UHFFFAOYSA-N 1 2 283.368 1.943 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190853534 130154801 /nfs/dbraw/zinc/15/48/01/130154801.db2.gz GCTVFHGPBMQWEP-BYCMXARLSA-N 1 2 288.347 1.333 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190853534 130154803 /nfs/dbraw/zinc/15/48/03/130154803.db2.gz GCTVFHGPBMQWEP-BYCMXARLSA-N 1 2 288.347 1.333 20 30 CDEDLO C[C@H](NC(=O)N1CCn2cc[nH+]c2C1)[C@H]1CCOC1 ZINC000329775180 391776966 /nfs/dbraw/zinc/77/69/66/391776966.db2.gz MXUQCLFCWISHEO-QWRGUYRKSA-N 1 2 264.329 1.038 20 30 CDEDLO CC(C)(CNC(=O)N[C@H]1CCSC1)[NH+]1CCOCC1 ZINC000329796440 391780787 /nfs/dbraw/zinc/78/07/87/391780787.db2.gz GYFOZWCEBWVAHT-NSHDSACASA-N 1 2 287.429 1.106 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CCCS1 ZINC000329841102 391787886 /nfs/dbraw/zinc/78/78/86/391787886.db2.gz WPKYUEPKGSTXDD-GHMZBOCLSA-N 1 2 268.386 1.671 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])NC[C@H]1CCCS1 ZINC000329841102 391787890 /nfs/dbraw/zinc/78/78/90/391787890.db2.gz WPKYUEPKGSTXDD-GHMZBOCLSA-N 1 2 268.386 1.671 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)c1 ZINC000133042454 391911329 /nfs/dbraw/zinc/91/13/29/391911329.db2.gz LBZKVTKWXSTWLG-GJZGRUSLSA-N 1 2 269.348 1.801 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)c1 ZINC000133042454 391911331 /nfs/dbraw/zinc/91/13/31/391911331.db2.gz LBZKVTKWXSTWLG-GJZGRUSLSA-N 1 2 269.348 1.801 20 30 CDEDLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000496639533 391925680 /nfs/dbraw/zinc/92/56/80/391925680.db2.gz JWPHMVWBBGSREO-CQSZACIVSA-N 1 2 288.351 1.664 20 30 CDEDLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000496639533 391925682 /nfs/dbraw/zinc/92/56/82/391925682.db2.gz JWPHMVWBBGSREO-CQSZACIVSA-N 1 2 288.351 1.664 20 30 CDEDLO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2CC#Cc1cccc(Cl)c1 ZINC000334196684 392028642 /nfs/dbraw/zinc/02/86/42/392028642.db2.gz LJJHVJKTICYGPG-HUUCEWRRSA-N 1 2 288.778 1.902 20 30 CDEDLO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC000334196684 392028647 /nfs/dbraw/zinc/02/86/47/392028647.db2.gz LJJHVJKTICYGPG-HUUCEWRRSA-N 1 2 288.778 1.902 20 30 CDEDLO COC(=O)c1cccc(OC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000342804015 392045663 /nfs/dbraw/zinc/04/56/63/392045663.db2.gz LGPKQRJFRYRVSX-CYBMUJFWSA-N 1 2 292.335 1.058 20 30 CDEDLO COC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000342804015 392045665 /nfs/dbraw/zinc/04/56/65/392045665.db2.gz LGPKQRJFRYRVSX-CYBMUJFWSA-N 1 2 292.335 1.058 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1cc(F)ccc1F ZINC000266956247 392092681 /nfs/dbraw/zinc/09/26/81/392092681.db2.gz VNPDBXVCUXKSIT-UHFFFAOYSA-N 1 2 252.264 1.858 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1cc(F)ccc1F ZINC000266956247 392092695 /nfs/dbraw/zinc/09/26/95/392092695.db2.gz VNPDBXVCUXKSIT-UHFFFAOYSA-N 1 2 252.264 1.858 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](C)C[C@@H]1C(=O)OC ZINC000275011648 392142379 /nfs/dbraw/zinc/14/23/79/392142379.db2.gz RLODETZEWIWZLG-ZIAGYGMSSA-N 1 2 296.411 1.685 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](C)C[C@@H]1C(=O)OC ZINC000275011648 392142384 /nfs/dbraw/zinc/14/23/84/392142384.db2.gz RLODETZEWIWZLG-ZIAGYGMSSA-N 1 2 296.411 1.685 20 30 CDEDLO CO[C@H]1C[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@@H]1OC ZINC000459426327 392437445 /nfs/dbraw/zinc/43/74/45/392437445.db2.gz STXKAZSRNGPQSF-KBPBESRZSA-N 1 2 291.307 1.312 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000522294252 392876114 /nfs/dbraw/zinc/87/61/14/392876114.db2.gz KZKYCJAGPYFSLN-GFCCVEGCSA-N 1 2 288.351 1.400 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000522294252 392876116 /nfs/dbraw/zinc/87/61/16/392876116.db2.gz KZKYCJAGPYFSLN-GFCCVEGCSA-N 1 2 288.351 1.400 20 30 CDEDLO CC#CC[C@H](CO)NC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000649182817 392953964 /nfs/dbraw/zinc/95/39/64/392953964.db2.gz FQPYNCRPUJLHQU-CQSZACIVSA-N 1 2 299.374 1.625 20 30 CDEDLO Cc1cc(NCCCOC[C@H]2CCOC2)c(C#N)c[nH+]1 ZINC000425239443 393000408 /nfs/dbraw/zinc/00/04/08/393000408.db2.gz WWZBMDMUMZEUKW-CYBMUJFWSA-N 1 2 275.352 1.539 20 30 CDEDLO Cc1cc(N2CCN(c3nccnc3C)CC2)c(C#N)c[nH+]1 ZINC000425261451 393009316 /nfs/dbraw/zinc/00/93/16/393009316.db2.gz QEWSXUWKMCUVDQ-UHFFFAOYSA-N 1 2 294.362 1.687 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)ccc1F ZINC000231625859 140217218 /nfs/dbraw/zinc/21/72/18/140217218.db2.gz FDEHLJYGMCQEQG-ZDUSSCGKSA-N 1 2 273.311 1.504 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)ccc1F ZINC000231625859 140217219 /nfs/dbraw/zinc/21/72/19/140217219.db2.gz FDEHLJYGMCQEQG-ZDUSSCGKSA-N 1 2 273.311 1.504 20 30 CDEDLO Cc1nc(N(C)Cc2ccc(C#N)cc2)nc(N(C)C)[nH+]1 ZINC000488382692 398126185 /nfs/dbraw/zinc/12/61/85/398126185.db2.gz VFOFXRKVIGTIJW-UHFFFAOYSA-N 1 2 282.351 1.754 20 30 CDEDLO Cc1nc(N(C)C)nc(N(C)Cc2ccc(C#N)cc2)[nH+]1 ZINC000488382692 398126188 /nfs/dbraw/zinc/12/61/88/398126188.db2.gz VFOFXRKVIGTIJW-UHFFFAOYSA-N 1 2 282.351 1.754 20 30 CDEDLO COc1ncccc1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115596400 147265223 /nfs/dbraw/zinc/26/52/23/147265223.db2.gz BIQJYMLAIAHWKX-CQSZACIVSA-N 1 2 296.330 1.278 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N(C)c1nccc(C#N)c1Cl ZINC000343077529 152024110 /nfs/dbraw/zinc/02/41/10/152024110.db2.gz CHJDMPBOGRAJAN-LLVKDONJSA-N 1 2 294.786 1.764 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)Cc1c(F)cccc1C#N ZINC000349525581 154129864 /nfs/dbraw/zinc/12/98/64/154129864.db2.gz VLMGBYFAWSKIHD-UHFFFAOYSA-N 1 2 286.310 1.632 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000658333065 413374017 /nfs/dbraw/zinc/37/40/17/413374017.db2.gz LQROXMVANZEPPV-ZYHUDNBSSA-N 1 2 285.340 1.181 20 30 CDEDLO C=C(C)CCNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000665021642 413795195 /nfs/dbraw/zinc/79/51/95/413795195.db2.gz ZNTVNOAWRMUXDR-LBPRGKRZSA-N 1 2 294.399 1.745 20 30 CDEDLO C=CCCNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000661572548 414173172 /nfs/dbraw/zinc/17/31/72/414173172.db2.gz RJBGLIUQYRFSST-UHFFFAOYSA-N 1 2 274.368 1.485 20 30 CDEDLO C=CCn1cc(CNCc2[nH+]ccn2C(C)C)nn1 ZINC000657494651 414392218 /nfs/dbraw/zinc/39/22/18/414392218.db2.gz DLDYRGJIEHPAKY-UHFFFAOYSA-N 1 2 260.345 1.531 20 30 CDEDLO C=CCOc1ccccc1C(=O)NCC[NH+]1CCOCC1 ZINC000045169446 175319789 /nfs/dbraw/zinc/31/97/89/175319789.db2.gz UFRRJIJIBNBCSC-UHFFFAOYSA-N 1 2 290.363 1.313 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCOC3)CC2)cc1 ZINC000071834611 176273413 /nfs/dbraw/zinc/27/34/13/176273413.db2.gz KAKZLDURLZFLGZ-INIZCTEOSA-N 1 2 299.374 1.239 20 30 CDEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC[C@H]1CCO ZINC000330275647 228089062 /nfs/dbraw/zinc/08/90/62/228089062.db2.gz LUJGCVFGCRCDDU-STQMWFEESA-N 1 2 292.383 1.521 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000333267454 260036834 /nfs/dbraw/zinc/03/68/34/260036834.db2.gz JVBVBJDYENWOIR-SDDRHHMPSA-N 1 2 258.325 1.254 20 30 CDEDLO CC1(C)C[N@H+](CC2(C#N)CC2)C[C@@]2(CCCOC2)O1 ZINC000361610340 261357676 /nfs/dbraw/zinc/35/76/76/261357676.db2.gz MIZICNQOTDATOX-OAHLLOKOSA-N 1 2 264.369 1.950 20 30 CDEDLO CC1(C)C[N@@H+](CC2(C#N)CC2)C[C@@]2(CCCOC2)O1 ZINC000361610340 261357677 /nfs/dbraw/zinc/35/76/77/261357677.db2.gz MIZICNQOTDATOX-OAHLLOKOSA-N 1 2 264.369 1.950 20 30 CDEDLO Cc1nc(CC(N)=[NH+]OCCO[C@H]2CCCCO2)cs1 ZINC000192837790 262211900 /nfs/dbraw/zinc/21/19/00/262211900.db2.gz PEPIUWKBPOZGBW-ZDUSSCGKSA-N 1 2 299.396 1.826 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000336801095 262395163 /nfs/dbraw/zinc/39/51/63/262395163.db2.gz OUCHLSYMGURRQO-ZJUUUORDSA-N 1 2 277.290 1.631 20 30 CDEDLO COCCOCCOCCC/[NH+]=C/c1ccccc1O ZINC000274342938 263023434 /nfs/dbraw/zinc/02/34/34/263023434.db2.gz BMGVAOHITLWCMV-DTQAZKPQSA-N 1 2 281.352 1.881 20 30 CDEDLO CC(C)(C#N)CC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000279208735 263053731 /nfs/dbraw/zinc/05/37/31/263053731.db2.gz GTDIWBPGEVGJFB-UHFFFAOYSA-N 1 2 286.379 1.666 20 30 CDEDLO CC1(C#N)CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000280343292 263060660 /nfs/dbraw/zinc/06/06/60/263060660.db2.gz BNGAWZLYBWIDMZ-UHFFFAOYSA-N 1 2 266.304 1.858 20 30 CDEDLO CC(=O)N1CCC[C@@H](C/[NH+]=C/c2cccc(O)c2O)C1 ZINC000281197571 263066911 /nfs/dbraw/zinc/06/69/11/263066911.db2.gz RTWBPUAGQFVVJN-RGZVIEDOSA-N 1 2 276.336 1.775 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)NCC1CCC(C#N)CC1 ZINC000282377927 263076334 /nfs/dbraw/zinc/07/63/34/263076334.db2.gz QNRODNUJQJUXOY-UHFFFAOYSA-N 1 2 274.368 1.799 20 30 CDEDLO NC(=[NH+]OCc1cn2cc(Cl)ccc2n1)[C@H]1CCCO1 ZINC000283916694 263084754 /nfs/dbraw/zinc/08/47/54/263084754.db2.gz DRQLFVXWUSZFDP-LLVKDONJSA-N 1 2 294.742 1.956 20 30 CDEDLO C[C@H](O[NH+]=C(N)[C@@H]1CCCO1)C(=O)Nc1cccc(F)c1 ZINC000283961600 263085144 /nfs/dbraw/zinc/08/51/44/263085144.db2.gz GCBGWKORIZJVNA-CABZTGNLSA-N 1 2 295.314 1.621 20 30 CDEDLO C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000414871535 263086297 /nfs/dbraw/zinc/08/62/97/263086297.db2.gz OHGNFVDKZAKCID-UHFFFAOYSA-N 1 2 290.367 1.637 20 30 CDEDLO C[C@H]1COCC[C@H]1C/[NH+]=C/c1ccc(O)c(O)c1O ZINC000285240917 263091601 /nfs/dbraw/zinc/09/16/01/263091601.db2.gz GKTRIAVZHICWTK-LOQOIXNESA-N 1 2 265.309 1.895 20 30 CDEDLO NC(=[NH+]OCC[C@H](O)c1ccccc1)[C@H]1CCCO1 ZINC000288442038 263104314 /nfs/dbraw/zinc/10/43/14/263104314.db2.gz FCFPVEZQBIRLGW-QWHCGFSZSA-N 1 2 264.325 1.578 20 30 CDEDLO COc1ccncc1CO[NH+]=C(N)Cc1csc(C)n1 ZINC000288438068 263104433 /nfs/dbraw/zinc/10/44/33/263104433.db2.gz DVMSZJZSJIIHCD-UHFFFAOYSA-N 1 2 292.364 1.887 20 30 CDEDLO COc1cncc(CO[NH+]=C(N)Cc2csc(C)n2)c1 ZINC000288541154 263104829 /nfs/dbraw/zinc/10/48/29/263104829.db2.gz IGKFNZGZWDOILD-UHFFFAOYSA-N 1 2 292.364 1.887 20 30 CDEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)/C=N\OC ZINC000289385171 263109655 /nfs/dbraw/zinc/10/96/55/263109655.db2.gz OEOSEUZPMQUNST-MKVLZVNKSA-N 1 2 264.329 1.589 20 30 CDEDLO N#CCC[N@H+](CCc1cn[nH]c1)Cc1ccccn1 ZINC000290145427 263114931 /nfs/dbraw/zinc/11/49/31/263114931.db2.gz WEDWMTGOGCVRMJ-UHFFFAOYSA-N 1 2 255.325 1.763 20 30 CDEDLO N#CCC[N@@H+](CCc1cn[nH]c1)Cc1ccccn1 ZINC000290145427 263114932 /nfs/dbraw/zinc/11/49/32/263114932.db2.gz WEDWMTGOGCVRMJ-UHFFFAOYSA-N 1 2 255.325 1.763 20 30 CDEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COCC(F)(F)F ZINC000293192716 263138480 /nfs/dbraw/zinc/13/84/80/263138480.db2.gz FGUVMDAZJNIQPN-JTQLQIEISA-N 1 2 266.263 1.328 20 30 CDEDLO C=CC[N@H+](CCC#N)C[C@H](O)COCC(F)(F)F ZINC000293192716 263138481 /nfs/dbraw/zinc/13/84/81/263138481.db2.gz FGUVMDAZJNIQPN-JTQLQIEISA-N 1 2 266.263 1.328 20 30 CDEDLO CCc1nocc1C[N@@H+](C)CC(=O)N(CC)C[C@@H](C)C#N ZINC000293423720 263140114 /nfs/dbraw/zinc/14/01/14/263140114.db2.gz NHABGAFOCJETMD-LBPRGKRZSA-N 1 2 292.383 1.677 20 30 CDEDLO CCc1nocc1C[N@H+](C)CC(=O)N(CC)C[C@@H](C)C#N ZINC000293423720 263140116 /nfs/dbraw/zinc/14/01/16/263140116.db2.gz NHABGAFOCJETMD-LBPRGKRZSA-N 1 2 292.383 1.677 20 30 CDEDLO COc1cc[nH+]cc1CNS(=O)(=O)CC(C)(C)CC#N ZINC000296965749 263199158 /nfs/dbraw/zinc/19/91/58/263199158.db2.gz HXKCUODGQHOBCW-UHFFFAOYSA-N 1 2 297.380 1.449 20 30 CDEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N2CCCCC2)cs1 ZINC000298762980 263225017 /nfs/dbraw/zinc/22/50/17/263225017.db2.gz ANZOOVSAECCTRF-UHFFFAOYSA-N 1 2 296.396 1.295 20 30 CDEDLO CC(C)(C)C(=O)NCC/[NH+]=C/c1cccc(O)c1O ZINC000299547119 263246228 /nfs/dbraw/zinc/24/62/28/263246228.db2.gz OROBYBOUFNURLU-OQLLNIDSSA-N 1 2 264.325 1.679 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000341703586 263346872 /nfs/dbraw/zinc/34/68/72/263346872.db2.gz MMISCNXRQFYMPQ-GXTWGEPZSA-N 1 2 263.341 1.315 20 30 CDEDLO CC[C@@H](C)NC(=O)C[NH+]1CCC(C#N)(COC)CC1 ZINC000341990469 263381840 /nfs/dbraw/zinc/38/18/40/263381840.db2.gz MZOMCWRFIDVTCX-GFCCVEGCSA-N 1 2 267.373 1.153 20 30 CDEDLO CCn1nc(C)c(NC(=O)N(C)Cc2[nH+]ccn2C)c1C ZINC000330704709 264018881 /nfs/dbraw/zinc/01/88/81/264018881.db2.gz MOEGVFCDDWBOJS-UHFFFAOYSA-N 1 2 290.371 1.931 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCn2cc[nH+]c2C1 ZINC000330775556 264035243 /nfs/dbraw/zinc/03/52/43/264035243.db2.gz HQSFEXWDYQLQDC-DOMZBBRYSA-N 1 2 289.383 1.142 20 30 CDEDLO CN(C(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000330808891 264044254 /nfs/dbraw/zinc/04/42/54/264044254.db2.gz DHTSEYBSDSJWJQ-TZMCWYRMSA-N 1 2 257.337 1.931 20 30 CDEDLO CO[C@@H]1CC[C@@H](NC(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000330977423 264101663 /nfs/dbraw/zinc/10/16/63/264101663.db2.gz FSFCVYLOJZHVAM-GHMZBOCLSA-N 1 2 266.345 1.333 20 30 CDEDLO Cc1cc(F)cc(C(=O)N[C@H](CO)C[NH+]2CCOCC2)c1 ZINC000331248238 264180329 /nfs/dbraw/zinc/18/03/29/264180329.db2.gz WLESVSDQCVOKAV-AWEZNQCLSA-N 1 2 296.342 1.132 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccccc1Cl ZINC000016590488 424589998 /nfs/dbraw/zinc/58/99/98/424589998.db2.gz STXDBAQINUEFDH-UHFFFAOYSA-N 1 2 295.770 1.784 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1ccccc1Cl ZINC000016590488 424590008 /nfs/dbraw/zinc/59/00/08/424590008.db2.gz STXDBAQINUEFDH-UHFFFAOYSA-N 1 2 295.770 1.784 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000356487189 266124048 /nfs/dbraw/zinc/12/40/48/266124048.db2.gz YXMQSLYHJRFAEU-NFAWXSAZSA-N 1 2 278.400 1.911 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000356487189 266124052 /nfs/dbraw/zinc/12/40/52/266124052.db2.gz YXMQSLYHJRFAEU-NFAWXSAZSA-N 1 2 278.400 1.911 20 30 CDEDLO C=CC[C@H](CC)NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000358991904 266518972 /nfs/dbraw/zinc/51/89/72/266518972.db2.gz NCUPPWYNHNUAMF-MJBXVCDLSA-N 1 2 283.416 1.750 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@H](C(N)=O)C1 ZINC000187374495 267021217 /nfs/dbraw/zinc/02/12/17/267021217.db2.gz GKBAXJDTBKQAJS-YGRLFVJLSA-N 1 2 275.327 1.783 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@H](C(N)=O)C1 ZINC000187374495 267021219 /nfs/dbraw/zinc/02/12/19/267021219.db2.gz GKBAXJDTBKQAJS-YGRLFVJLSA-N 1 2 275.327 1.783 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cccc(C#N)c1 ZINC000330628917 267068404 /nfs/dbraw/zinc/06/84/04/267068404.db2.gz ZVNSREXFVOCXAZ-GFCCVEGCSA-N 1 2 273.336 1.584 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cccc(C#N)c1 ZINC000330628917 267068407 /nfs/dbraw/zinc/06/84/07/267068407.db2.gz ZVNSREXFVOCXAZ-GFCCVEGCSA-N 1 2 273.336 1.584 20 30 CDEDLO C=CCC[NH+]1CCC(C(=O)OCC)(S(C)(=O)=O)CC1 ZINC000367713404 267112158 /nfs/dbraw/zinc/11/21/58/267112158.db2.gz SLBOCCYZYSEJMI-UHFFFAOYSA-N 1 2 289.397 1.005 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000370042423 267286178 /nfs/dbraw/zinc/28/61/78/267286178.db2.gz YDBZTKSSWDUOFV-NSHDSACASA-N 1 2 278.805 1.239 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000370042423 267286183 /nfs/dbraw/zinc/28/61/83/267286183.db2.gz YDBZTKSSWDUOFV-NSHDSACASA-N 1 2 278.805 1.239 20 30 CDEDLO N#CCSCC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000370544823 267328384 /nfs/dbraw/zinc/32/83/84/267328384.db2.gz ARCHZYIGNUSSMV-STQMWFEESA-N 1 2 297.424 1.003 20 30 CDEDLO CCN1CCN(c2nccc(C)c2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530374513 269656764 /nfs/dbraw/zinc/65/67/64/269656764.db2.gz JLWFQHKIGOBOIG-CQSZACIVSA-N 1 2 296.378 1.868 20 30 CDEDLO CC1(C)C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC[C@H]1O ZINC000446066115 281263398 /nfs/dbraw/zinc/26/33/98/281263398.db2.gz ICFFDBXNOXQKCP-KGLIPLIRSA-N 1 2 287.363 1.177 20 30 CDEDLO CC1(C)C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC[C@H]1O ZINC000446066115 281263402 /nfs/dbraw/zinc/26/34/02/281263402.db2.gz ICFFDBXNOXQKCP-KGLIPLIRSA-N 1 2 287.363 1.177 20 30 CDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cccnc1C#N ZINC000291179714 288718994 /nfs/dbraw/zinc/71/89/94/288718994.db2.gz RSHFLKCYCMFNDS-OLZOCXBDSA-N 1 2 272.352 1.253 20 30 CDEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1ncccc1C#N ZINC000291211928 289048585 /nfs/dbraw/zinc/04/85/85/289048585.db2.gz VGNQQJCCVMQKGI-TZMCWYRMSA-N 1 2 272.352 1.253 20 30 CDEDLO N#Cc1ccc(C(=O)NCCCNc2cccc[nH+]2)[nH]1 ZINC000152733840 289144059 /nfs/dbraw/zinc/14/40/59/289144059.db2.gz MDWGXZVURQWKSF-UHFFFAOYSA-N 1 2 269.308 1.513 20 30 CDEDLO COc1cc(C#N)ccc1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000554984622 290200598 /nfs/dbraw/zinc/20/05/98/290200598.db2.gz BVMKRYZXFZQFFW-UHFFFAOYSA-N 1 2 297.318 1.811 20 30 CDEDLO CC[C@H]1C[NH+](Cc2cnc3c(C#N)cnn3c2)C[C@H](CC)O1 ZINC000563150619 293291362 /nfs/dbraw/zinc/29/13/62/293291362.db2.gz PMIWYKYVIGILCO-GJZGRUSLSA-N 1 2 299.378 1.990 20 30 CDEDLO C[C@H]1CCN(c2cc(C#N)ncn2)C[C@H]1n1cc[nH+]c1 ZINC000570323844 294215988 /nfs/dbraw/zinc/21/59/88/294215988.db2.gz JWFATSVZNIPMBY-WCQYABFASA-N 1 2 268.324 1.632 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCOC[C@H]1C1CC1 ZINC000330301782 295385160 /nfs/dbraw/zinc/38/51/60/295385160.db2.gz NZHXPSSDMAOXTD-OLZOCXBDSA-N 1 2 290.367 1.223 20 30 CDEDLO Cc1ncsc1/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000493433934 327894029 /nfs/dbraw/zinc/89/40/29/327894029.db2.gz PFXBOVNMIWMURT-GFUIURDCSA-N 1 2 278.381 1.425 20 30 CDEDLO N#Cc1ccccc1N1CC[NH+](Cc2cnccn2)CC1 ZINC000564178059 316429891 /nfs/dbraw/zinc/42/98/91/316429891.db2.gz NAFIXDXSLCCJNQ-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO Cc1cccc(CCCNc2ncncc2C#N)[nH+]1 ZINC000576698749 317189195 /nfs/dbraw/zinc/18/91/95/317189195.db2.gz IFQCXEJQWZRAPZ-UHFFFAOYSA-N 1 2 253.309 1.518 20 30 CDEDLO COC(=O)C[N@H+](CCOCCC#N)CCc1ccccc1 ZINC000294714067 328282851 /nfs/dbraw/zinc/28/28/51/328282851.db2.gz VHQPBXADAZXZKE-UHFFFAOYSA-N 1 2 290.363 1.634 20 30 CDEDLO COC(=O)C[N@@H+](CCOCCC#N)CCc1ccccc1 ZINC000294714067 328282853 /nfs/dbraw/zinc/28/28/53/328282853.db2.gz VHQPBXADAZXZKE-UHFFFAOYSA-N 1 2 290.363 1.634 20 30 CDEDLO C#CC[NH+]1CCN(Cn2nc(C(C)C)n(C)c2=S)CC1 ZINC000101902229 328382214 /nfs/dbraw/zinc/38/22/14/328382214.db2.gz RIEKHRHAGBMFFJ-UHFFFAOYSA-N 1 2 293.440 1.283 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc[nH+]c(C)c1 ZINC000560412345 327305989 /nfs/dbraw/zinc/30/59/89/327305989.db2.gz XVNRNUPSEQXUIL-OLZOCXBDSA-N 1 2 261.325 1.667 20 30 CDEDLO CN1CC[C@@H](O[NH+]=C(N)Cc2ccc(Cl)cc2)C1=O ZINC000116267957 327306191 /nfs/dbraw/zinc/30/61/91/327306191.db2.gz UGZFUONLQWURAF-LLVKDONJSA-N 1 2 281.743 1.402 20 30 CDEDLO CC(C)[C@@H](CNC(=O)C1(C#N)CC(C)C1)[NH+]1CCOCC1 ZINC000532319551 328766580 /nfs/dbraw/zinc/76/65/80/328766580.db2.gz AWIMGSLYIKUTGN-NPCAHTBFSA-N 1 2 293.411 1.399 20 30 CDEDLO C=CCCOCCNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000378276027 329044849 /nfs/dbraw/zinc/04/48/49/329044849.db2.gz YKIVRHSMDPOJPT-CYBMUJFWSA-N 1 2 292.383 1.512 20 30 CDEDLO CC[C@@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171005928 329068970 /nfs/dbraw/zinc/06/89/70/329068970.db2.gz JGKOJAJXSUUWDV-LBPRGKRZSA-N 1 2 254.293 1.904 20 30 CDEDLO C=CCNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000176920347 329180042 /nfs/dbraw/zinc/18/00/42/329180042.db2.gz JTFIJLNKJPQOMW-UHFFFAOYSA-N 1 2 284.319 1.328 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000180273100 329219338 /nfs/dbraw/zinc/21/93/38/329219338.db2.gz AQQNAYGFAXDOIX-UHFFFAOYSA-N 1 2 288.351 1.058 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000180273100 329219340 /nfs/dbraw/zinc/21/93/40/329219340.db2.gz AQQNAYGFAXDOIX-UHFFFAOYSA-N 1 2 288.351 1.058 20 30 CDEDLO C=CCC[C@H]1NC(=O)N(CCc2cn3ccccc3[nH+]2)C1=O ZINC000419925005 329749096 /nfs/dbraw/zinc/74/90/96/329749096.db2.gz NRRPTEQBDZEETF-CYBMUJFWSA-N 1 2 298.346 1.763 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CC1CCC1 ZINC000079844534 330062976 /nfs/dbraw/zinc/06/29/76/330062976.db2.gz HSQQDESTUZKPQE-UHFFFAOYSA-N 1 2 279.384 1.251 20 30 CDEDLO CCOc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000516071126 330486496 /nfs/dbraw/zinc/48/64/96/330486496.db2.gz DDVAHYBQXKNIAO-OAHLLOKOSA-N 1 2 275.352 1.659 20 30 CDEDLO C=C(C)CCNC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000455323645 331166031 /nfs/dbraw/zinc/16/60/31/331166031.db2.gz KSYNBGHBDKQIFF-CYBMUJFWSA-N 1 2 291.399 1.764 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456207165 331186400 /nfs/dbraw/zinc/18/64/00/331186400.db2.gz SDDNIWKPONELHS-GUTXKFCHSA-N 1 2 266.385 1.568 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456207165 331186401 /nfs/dbraw/zinc/18/64/01/331186401.db2.gz SDDNIWKPONELHS-GUTXKFCHSA-N 1 2 266.385 1.568 20 30 CDEDLO C=CCC1(NC(=O)NCC[NH+]2CCOCC2)CCCCC1 ZINC000457413105 331221920 /nfs/dbraw/zinc/22/19/20/331221920.db2.gz YQPCYMQWYMYXTE-UHFFFAOYSA-N 1 2 295.427 1.897 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)N(C)CC(C)(C)C#N ZINC000458817732 331261481 /nfs/dbraw/zinc/26/14/81/331261481.db2.gz WOZTWIOJKAFEDI-UHFFFAOYSA-N 1 2 276.340 1.781 20 30 CDEDLO Cc1cc(C)c(CNC(=O)N(C)C[C@H](C)C#N)c[nH+]1 ZINC000459123808 331270815 /nfs/dbraw/zinc/27/08/15/331270815.db2.gz PUNGGRUIVDHGHR-SNVBAGLBSA-N 1 2 260.341 2.000 20 30 CDEDLO C#CC[N@@H+](CC#CC)C[C@H](O)c1c(F)cccc1F ZINC000490679661 332103104 /nfs/dbraw/zinc/10/31/04/332103104.db2.gz UENREIPPFSHEES-AWEZNQCLSA-N 1 2 263.287 1.957 20 30 CDEDLO C#CC[N@H+](CC#CC)C[C@H](O)c1c(F)cccc1F ZINC000490679661 332103106 /nfs/dbraw/zinc/10/31/06/332103106.db2.gz UENREIPPFSHEES-AWEZNQCLSA-N 1 2 263.287 1.957 20 30 CDEDLO C#CCn1ccc(CN(CC)C(=O)CCc2c[nH+]c[nH]2)n1 ZINC000490741303 332111429 /nfs/dbraw/zinc/11/14/29/332111429.db2.gz UBRGVEWUZFMCCN-UHFFFAOYSA-N 1 2 285.351 1.221 20 30 CDEDLO C#CCn1ccc(CN(CC)C(=O)CCc2c[nH]c[nH+]2)n1 ZINC000490741303 332111430 /nfs/dbraw/zinc/11/14/30/332111430.db2.gz UBRGVEWUZFMCCN-UHFFFAOYSA-N 1 2 285.351 1.221 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)OCC[C@H]2CCCC2=O)CC1 ZINC000490900814 332127798 /nfs/dbraw/zinc/12/77/98/332127798.db2.gz YGWLPRHARWNCKN-CYBMUJFWSA-N 1 2 277.364 1.634 20 30 CDEDLO C#CC[N@@H+](CCCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 ZINC000490936830 332131213 /nfs/dbraw/zinc/13/12/13/332131213.db2.gz RQRXJZGUDOMVQU-CQSZACIVSA-N 1 2 297.445 1.803 20 30 CDEDLO C#CC[N@H+](CCCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 ZINC000490936830 332131215 /nfs/dbraw/zinc/13/12/15/332131215.db2.gz RQRXJZGUDOMVQU-CQSZACIVSA-N 1 2 297.445 1.803 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CSC/C(C)=C\Cl)CC1 ZINC000491286946 332181501 /nfs/dbraw/zinc/18/15/01/332181501.db2.gz KAGLSMYSTOXOIU-XFXZXTDPSA-N 1 2 286.828 1.640 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000491288726 332182382 /nfs/dbraw/zinc/18/23/82/332182382.db2.gz ULHIHHITSBQJQY-LLVKDONJSA-N 1 2 298.302 1.874 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000491340630 332193850 /nfs/dbraw/zinc/19/38/50/332193850.db2.gz ZBGAERBGSDZEQT-NJZAAPMLSA-N 1 2 262.353 1.067 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000491340630 332193849 /nfs/dbraw/zinc/19/38/49/332193849.db2.gz ZBGAERBGSDZEQT-NJZAAPMLSA-N 1 2 262.353 1.067 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@@H](c2cccc(OC)c2)CC1=O ZINC000491362717 332197383 /nfs/dbraw/zinc/19/73/83/332197383.db2.gz UXGQINACJMTVIK-HIFRSBDPSA-N 1 2 286.375 1.922 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@@H](c2cccc(OC)c2)CC1=O ZINC000491362717 332197384 /nfs/dbraw/zinc/19/73/84/332197384.db2.gz UXGQINACJMTVIK-HIFRSBDPSA-N 1 2 286.375 1.922 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000491415386 332207633 /nfs/dbraw/zinc/20/76/33/332207633.db2.gz HFXKIVAIHDSLBY-LLVKDONJSA-N 1 2 274.320 1.365 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000491415386 332207634 /nfs/dbraw/zinc/20/76/34/332207634.db2.gz HFXKIVAIHDSLBY-LLVKDONJSA-N 1 2 274.320 1.365 20 30 CDEDLO C#CCN(CC)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000491452787 332214245 /nfs/dbraw/zinc/21/42/45/332214245.db2.gz NHMAMXQPVTYNQL-UHFFFAOYSA-N 1 2 287.363 1.009 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000491464532 332216857 /nfs/dbraw/zinc/21/68/57/332216857.db2.gz RMLVBXIBELRKSY-LBPRGKRZSA-N 1 2 282.347 1.969 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000491464532 332216859 /nfs/dbraw/zinc/21/68/59/332216859.db2.gz RMLVBXIBELRKSY-LBPRGKRZSA-N 1 2 282.347 1.969 20 30 CDEDLO C#C[C@H](CC)NC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000491496765 332223188 /nfs/dbraw/zinc/22/31/88/332223188.db2.gz SVLBJDSGEZYWNE-GFCCVEGCSA-N 1 2 270.336 1.854 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCCN(CC)CC(F)(F)F ZINC000491513599 332226395 /nfs/dbraw/zinc/22/63/95/332226395.db2.gz DDBYCNGQIAHLSE-LBPRGKRZSA-N 1 2 278.318 1.595 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCCN(CC)CC(F)(F)F ZINC000491513599 332226396 /nfs/dbraw/zinc/22/63/96/332226396.db2.gz DDBYCNGQIAHLSE-LBPRGKRZSA-N 1 2 278.318 1.595 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(C3CC3)c2)CC1 ZINC000491621751 332246974 /nfs/dbraw/zinc/24/69/74/332246974.db2.gz GALGRMWJVLTWMV-UHFFFAOYSA-N 1 2 298.386 1.720 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000491651439 332264838 /nfs/dbraw/zinc/26/48/38/332264838.db2.gz GQYAJQRMPIZUJE-AWEZNQCLSA-N 1 2 281.359 1.954 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000491664317 332273334 /nfs/dbraw/zinc/27/33/34/332273334.db2.gz SLTIZYPNFLEQDO-LLVKDONJSA-N 1 2 255.321 1.825 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000491711413 332302887 /nfs/dbraw/zinc/30/28/87/332302887.db2.gz WMHIALQQNSVIBS-GUYCJALGSA-N 1 2 299.374 1.755 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000491711413 332302889 /nfs/dbraw/zinc/30/28/89/332302889.db2.gz WMHIALQQNSVIBS-GUYCJALGSA-N 1 2 299.374 1.755 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ncoc1C1CC1 ZINC000516930449 333086560 /nfs/dbraw/zinc/08/65/60/333086560.db2.gz OYJYBMSZXMNXRW-ZDUSSCGKSA-N 1 2 262.313 1.126 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000185165778 333136165 /nfs/dbraw/zinc/13/61/65/333136165.db2.gz YBPPCSHBOGDEIQ-UWVGGRQHSA-N 1 2 278.356 1.156 20 30 CDEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@H](C)C#N ZINC000530282265 333536993 /nfs/dbraw/zinc/53/69/93/333536993.db2.gz GZDIZMPGRINEDM-MRVPVSSYSA-N 1 2 292.289 1.899 20 30 CDEDLO C=C(C)CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000126859035 333612371 /nfs/dbraw/zinc/61/23/71/333612371.db2.gz MWKADDXNDTZUQF-UHFFFAOYSA-N 1 2 284.319 1.503 20 30 CDEDLO C[C@H](C#N)CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000543803398 333900162 /nfs/dbraw/zinc/90/01/62/333900162.db2.gz HJYSVVBRIHMXEX-GFCCVEGCSA-N 1 2 283.335 1.831 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc2c(c1)OCCO2 ZINC000566623394 334658234 /nfs/dbraw/zinc/65/82/34/334658234.db2.gz IKKWADVDWQCLPN-HNNXBMFYSA-N 1 2 289.335 1.031 20 30 CDEDLO C#CCNc1ccc([NH+]2CCCCC2)cc1C(N)=O ZINC000154725286 334703722 /nfs/dbraw/zinc/70/37/22/334703722.db2.gz OJSVVACJCPFLQF-UHFFFAOYSA-N 1 2 257.337 1.821 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CN1CCc2ccccc21 ZINC000581313939 336046825 /nfs/dbraw/zinc/04/68/25/336046825.db2.gz WWZGVZQZRYKOGV-INIZCTEOSA-N 1 2 286.379 1.009 20 30 CDEDLO CC(C)COCCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000581611047 336112177 /nfs/dbraw/zinc/11/21/77/336112177.db2.gz MEEXAQWESSALBZ-CYBMUJFWSA-N 1 2 255.362 1.009 20 30 CDEDLO C=C[C@H](O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000668270168 482305560 /nfs/dbraw/zinc/30/55/60/482305560.db2.gz CEFMMSXBABOCFP-DOMZBBRYSA-N 1 2 290.363 1.565 20 30 CDEDLO C=C[C@](C)(O)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000667113001 483094584 /nfs/dbraw/zinc/09/45/84/483094584.db2.gz ZOISDGLDNPBPSC-INIZCTEOSA-N 1 2 290.363 1.394 20 30 CDEDLO Cc1[nH]c[nH+]c1C=NNC(=S)NCCC(C)C ZINC000755570106 576949763 /nfs/dbraw/zinc/94/97/63/576949763.db2.gz CZSQOWAOCLSYPK-UHFFFAOYSA-N 1 2 253.375 1.562 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2coc(C)n2)C1 ZINC001033025279 1161479385 /nfs/dbraw/zinc/47/93/85/1161479385.db2.gz HGDQQLJOORGKII-LLVKDONJSA-N 1 2 283.759 1.882 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2coc(C)n2)C1 ZINC001033025279 1161479391 /nfs/dbraw/zinc/47/93/91/1161479391.db2.gz HGDQQLJOORGKII-LLVKDONJSA-N 1 2 283.759 1.882 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001108085469 1161493689 /nfs/dbraw/zinc/49/36/89/1161493689.db2.gz ZXGYIDCIBGDQSY-FVQBIDKESA-N 1 2 278.396 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001108085469 1161493694 /nfs/dbraw/zinc/49/36/94/1161493694.db2.gz ZXGYIDCIBGDQSY-FVQBIDKESA-N 1 2 278.396 1.570 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](C)OCC2CC2)CC1 ZINC001112673884 1162050194 /nfs/dbraw/zinc/05/01/94/1162050194.db2.gz DWMAOTPFBFWGHR-CYBMUJFWSA-N 1 2 266.385 1.522 20 30 CDEDLO C#CCCCC(=O)N1CC[NH+](Cc2cnccc2C)CC1 ZINC001112802841 1162054247 /nfs/dbraw/zinc/05/42/47/1162054247.db2.gz DHJLHAKZMJFSHN-UHFFFAOYSA-N 1 2 285.391 1.838 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1nc(Cl)cnc1C#N ZINC001157460662 1162099028 /nfs/dbraw/zinc/09/90/28/1162099028.db2.gz ZDSSGOIVZOXCQZ-UHFFFAOYSA-N 1 2 276.731 1.725 20 30 CDEDLO CC(C)C#CC(=O)N(C)C[C@H](C)[NH2+]Cc1csnn1 ZINC001755586976 1186002716 /nfs/dbraw/zinc/00/27/16/1186002716.db2.gz SZNOMZJXNVQXJE-NSHDSACASA-N 1 2 280.397 1.134 20 30 CDEDLO C=CCO[C@H](C)C(=O)N1CC[NH+](CCOCCCC)CC1 ZINC001113714928 1162264496 /nfs/dbraw/zinc/26/44/96/1162264496.db2.gz PQXPUSFEMWUALV-OAHLLOKOSA-N 1 2 298.427 1.538 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C)no1 ZINC000348096251 526542642 /nfs/dbraw/zinc/54/26/42/526542642.db2.gz QEKHAXWGEYJLEQ-QWRGUYRKSA-N 1 2 280.372 1.842 20 30 CDEDLO CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329153007 526548080 /nfs/dbraw/zinc/54/80/80/526548080.db2.gz BMRGIFNFHBOMBG-BXUZGUMPSA-N 1 2 290.367 1.625 20 30 CDEDLO CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329153007 526548084 /nfs/dbraw/zinc/54/80/84/526548084.db2.gz BMRGIFNFHBOMBG-BXUZGUMPSA-N 1 2 290.367 1.625 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1O ZINC000188401926 526588672 /nfs/dbraw/zinc/58/86/72/526588672.db2.gz WHNLQNMBAAYBRJ-UHFFFAOYSA-N 1 2 296.330 1.938 20 30 CDEDLO C=CCOCC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000354568292 526710245 /nfs/dbraw/zinc/71/02/45/526710245.db2.gz YIZARPFZTMBMHD-UHFFFAOYSA-N 1 2 275.352 1.501 20 30 CDEDLO CCCN(C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000330288626 527719203 /nfs/dbraw/zinc/71/92/03/527719203.db2.gz DFBYJZYYZURKPM-NSHDSACASA-N 1 2 262.357 1.986 20 30 CDEDLO CCCN(C(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000330288626 527719207 /nfs/dbraw/zinc/71/92/07/527719207.db2.gz DFBYJZYYZURKPM-NSHDSACASA-N 1 2 262.357 1.986 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000331465549 528854843 /nfs/dbraw/zinc/85/48/43/528854843.db2.gz LFXLLGDAPJOHMM-XNRPHZJLSA-N 1 2 293.411 1.540 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000331465549 528854845 /nfs/dbraw/zinc/85/48/45/528854845.db2.gz LFXLLGDAPJOHMM-XNRPHZJLSA-N 1 2 293.411 1.540 20 30 CDEDLO CCc1nc2n(n1)C[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)CC2 ZINC000328770513 538414375 /nfs/dbraw/zinc/41/43/75/538414375.db2.gz IZUBFGUWYBPRPQ-VIFPVBQESA-N 1 2 274.328 1.192 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000737685324 574432577 /nfs/dbraw/zinc/43/25/77/574432577.db2.gz SNLQWYYBAZGSFN-JTQLQIEISA-N 1 2 299.313 1.539 20 30 CDEDLO CNC(=S)N[NH+]=Cc1ccc(N(C)C)c(F)c1 ZINC000727650531 574593363 /nfs/dbraw/zinc/59/33/63/574593363.db2.gz LNEMLHBIYFSLGQ-UHFFFAOYSA-N 1 2 254.334 1.320 20 30 CDEDLO C#CCSCCNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000740487565 574632874 /nfs/dbraw/zinc/63/28/74/574632874.db2.gz ABKZDTIBIINGMT-ZDUSSCGKSA-N 1 2 292.408 1.596 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3ccco3)CC2)cn1 ZINC000728857446 574656833 /nfs/dbraw/zinc/65/68/33/574656833.db2.gz HATGPYPHDFPJTL-UHFFFAOYSA-N 1 2 295.342 1.614 20 30 CDEDLO C=C1CC[NH+](CCCS(=O)(=O)CCOC)CC1 ZINC000731032942 575031002 /nfs/dbraw/zinc/03/10/02/575031002.db2.gz QBRLHZZMXFWUSH-UHFFFAOYSA-N 1 2 261.387 1.090 20 30 CDEDLO C[C@@H]1CC(=NNS(C)(=O)=O)C[N@@H+](Cc2ccccc2)C1 ZINC000767385347 576186734 /nfs/dbraw/zinc/18/67/34/576186734.db2.gz MLJDAOLDSJKXLN-GFCCVEGCSA-N 1 2 295.408 1.434 20 30 CDEDLO C[C@@H]1CC(=NNS(C)(=O)=O)C[N@H+](Cc2ccccc2)C1 ZINC000767385347 576186737 /nfs/dbraw/zinc/18/67/37/576186737.db2.gz MLJDAOLDSJKXLN-GFCCVEGCSA-N 1 2 295.408 1.434 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)CCC(=O)c2ccccn2)CC1 ZINC000771134319 575551600 /nfs/dbraw/zinc/55/16/00/575551600.db2.gz BCXICXOBNBWHGY-UHFFFAOYSA-N 1 2 299.374 1.212 20 30 CDEDLO N#CCC(=O)Nc1ccc(C(=O)OCCn2cc[nH+]c2)cc1 ZINC000771869440 575630329 /nfs/dbraw/zinc/63/03/29/575630329.db2.gz UQZFTFRPWYTZAU-UHFFFAOYSA-N 1 2 298.302 1.592 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC(O)(C(C)C)C1 ZINC000773894060 575818582 /nfs/dbraw/zinc/81/85/82/575818582.db2.gz RICNKCCONBPXNP-TZMCWYRMSA-N 1 2 281.400 1.132 20 30 CDEDLO C#CCN(C(=O)NCCc1cn2cccc(C)c2[nH+]1)C1CC1 ZINC000764733899 575941843 /nfs/dbraw/zinc/94/18/43/575941843.db2.gz IGRFIYLAGVAIDR-UHFFFAOYSA-N 1 2 296.374 1.992 20 30 CDEDLO C#CCCOC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000765483234 576029086 /nfs/dbraw/zinc/02/90/86/576029086.db2.gz VOMUEDVXVWYKQA-OAHLLOKOSA-N 1 2 273.332 1.454 20 30 CDEDLO C#CCCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000765483234 576029092 /nfs/dbraw/zinc/02/90/92/576029092.db2.gz VOMUEDVXVWYKQA-OAHLLOKOSA-N 1 2 273.332 1.454 20 30 CDEDLO NC(=[NH+]OCCC1OCCO1)c1ccc(F)cc1 ZINC000767533935 576202147 /nfs/dbraw/zinc/20/21/47/576202147.db2.gz HCWCDKZPLMOJOF-UHFFFAOYSA-N 1 2 254.261 1.226 20 30 CDEDLO C#CCN(CC#CC)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000742131134 576582498 /nfs/dbraw/zinc/58/24/98/576582498.db2.gz FVMRLAAHKPUAQH-UHFFFAOYSA-N 1 2 278.315 1.366 20 30 CDEDLO O=[N+]([O-])c1ccc(C=NNc2ccc(-n3cc[nH+]c3)nn2)o1 ZINC000761861072 576599098 /nfs/dbraw/zinc/59/90/98/576599098.db2.gz URMXMXPTIIVVOD-UHFFFAOYSA-N 1 2 299.250 1.610 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000744410847 576679163 /nfs/dbraw/zinc/67/91/63/576679163.db2.gz VMYOXBUJMQMUQH-JKSUJKDBSA-N 1 2 274.408 1.982 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000744410847 576679164 /nfs/dbraw/zinc/67/91/64/576679164.db2.gz VMYOXBUJMQMUQH-JKSUJKDBSA-N 1 2 274.408 1.982 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)C[C@H]2CCCC[C@@H]2C)CC1 ZINC000744419316 576679764 /nfs/dbraw/zinc/67/97/64/576679764.db2.gz YFHKUJUPDSOXGJ-LSDHHAIUSA-N 1 2 262.397 1.980 20 30 CDEDLO O=[N+]([O-])c1ccc(C=NNCC[NH+]2CCCCC2)cc1O ZINC000748134479 576897029 /nfs/dbraw/zinc/89/70/29/576897029.db2.gz YYIOLXXMCPLIIJ-UHFFFAOYSA-N 1 2 292.339 1.710 20 30 CDEDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2ccccc2C#N)C1 ZINC000748460103 576913409 /nfs/dbraw/zinc/91/34/09/576913409.db2.gz ROAXGQVWNHNIPB-AWEZNQCLSA-N 1 2 274.320 1.322 20 30 CDEDLO CC[N@H+]1CCO[C@H](C(=O)OCc2ccccc2C#N)C1 ZINC000748460103 576913411 /nfs/dbraw/zinc/91/34/11/576913411.db2.gz ROAXGQVWNHNIPB-AWEZNQCLSA-N 1 2 274.320 1.322 20 30 CDEDLO CCN(CC)c1ccnc(N=NCc2c[nH+]cn2C)n1 ZINC000755772962 576960376 /nfs/dbraw/zinc/96/03/76/576960376.db2.gz LKELTCQGCADGCX-UHFFFAOYSA-N 1 2 273.344 1.502 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1=S ZINC000749796094 576962840 /nfs/dbraw/zinc/96/28/40/576962840.db2.gz GWQAWSJZELDGTO-VXGBXAGGSA-N 1 2 295.412 1.311 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1=S ZINC000749796094 576962842 /nfs/dbraw/zinc/96/28/42/576962842.db2.gz GWQAWSJZELDGTO-VXGBXAGGSA-N 1 2 295.412 1.311 20 30 CDEDLO C#CC(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000756040018 576975014 /nfs/dbraw/zinc/97/50/14/576975014.db2.gz MLMSUGUZNVCBNO-ZDUSSCGKSA-N 1 2 267.332 1.969 20 30 CDEDLO Cc1ccn(C[N@@H+]2CCCO[C@H](C)C2)c(=O)c1C#N ZINC000758226913 577085477 /nfs/dbraw/zinc/08/54/77/577085477.db2.gz XMTWVKYTRMVCJV-GFCCVEGCSA-N 1 2 261.325 1.097 20 30 CDEDLO Cc1ccn(C[N@H+]2CCCO[C@H](C)C2)c(=O)c1C#N ZINC000758226913 577085478 /nfs/dbraw/zinc/08/54/78/577085478.db2.gz XMTWVKYTRMVCJV-GFCCVEGCSA-N 1 2 261.325 1.097 20 30 CDEDLO C[C@H]1C[NH+](Cn2cccc(C#N)c2=O)C[C@H](C)S1 ZINC000758225746 577085604 /nfs/dbraw/zinc/08/56/04/577085604.db2.gz UUFXUAYSXYBCMX-QWRGUYRKSA-N 1 2 263.366 1.503 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2cnccc2C)CC1 ZINC000752354363 577100790 /nfs/dbraw/zinc/10/07/90/577100790.db2.gz MEBKREADGCCOPB-SNAWJCMRSA-N 1 2 269.348 1.181 20 30 CDEDLO C=CCC(CC=C)C(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000758510517 577112650 /nfs/dbraw/zinc/11/26/50/577112650.db2.gz VXKADOCCEDCKFP-HXUWFJFHSA-N 1 2 298.452 1.278 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@@H](C)[C@H](NC(C)=O)C1 ZINC000964513409 613235602 /nfs/dbraw/zinc/23/56/02/613235602.db2.gz YRUBRCGVXBNDGC-LDYMZIIASA-N 1 2 275.190 1.742 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@@H](C)[C@H](NC(C)=O)C1 ZINC000964513409 613235604 /nfs/dbraw/zinc/23/56/04/613235604.db2.gz YRUBRCGVXBNDGC-LDYMZIIASA-N 1 2 275.190 1.742 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc3cccn3cn2)C1 ZINC000950612810 612991610 /nfs/dbraw/zinc/99/16/10/612991610.db2.gz YEZYGGFSFFBHIP-UHFFFAOYSA-N 1 2 296.374 1.504 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2sc(C)nc2C)C1 ZINC000957367313 612993137 /nfs/dbraw/zinc/99/31/37/612993137.db2.gz NLCOZFPPQLCNPA-UHFFFAOYSA-N 1 2 291.420 1.930 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2c(F)ccc(F)c2F)CC1 ZINC000981846448 613156553 /nfs/dbraw/zinc/15/65/53/613156553.db2.gz NASNGOIYLXZCJS-UHFFFAOYSA-N 1 2 296.292 1.885 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2c(F)ccc(F)c2F)CC1 ZINC000981846448 613156554 /nfs/dbraw/zinc/15/65/54/613156554.db2.gz NASNGOIYLXZCJS-UHFFFAOYSA-N 1 2 296.292 1.885 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(CC)CCC3)C2)C1 ZINC000972501509 613210971 /nfs/dbraw/zinc/21/09/71/613210971.db2.gz DTBBMHGYUZDPFT-KRWDZBQOSA-N 1 2 290.407 1.503 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(CC)CCC3)C2)C1 ZINC000972501509 613210972 /nfs/dbraw/zinc/21/09/72/613210972.db2.gz DTBBMHGYUZDPFT-KRWDZBQOSA-N 1 2 290.407 1.503 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C(C)C)C2)C1 ZINC000972583335 613212333 /nfs/dbraw/zinc/21/23/33/613212333.db2.gz UJVOPMQHIASKKY-GOEBONIOSA-N 1 2 278.396 1.215 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C(C)C)C2)C1 ZINC000972583335 613212334 /nfs/dbraw/zinc/21/23/34/613212334.db2.gz UJVOPMQHIASKKY-GOEBONIOSA-N 1 2 278.396 1.215 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2scnc2C)C1 ZINC000965184570 613250878 /nfs/dbraw/zinc/25/08/78/613250878.db2.gz VJQCGSNRWXFXLJ-JQWIXIFHSA-N 1 2 277.393 1.525 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2scnc2C)C1 ZINC000965184570 613250880 /nfs/dbraw/zinc/25/08/80/613250880.db2.gz VJQCGSNRWXFXLJ-JQWIXIFHSA-N 1 2 277.393 1.525 20 30 CDEDLO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971575345 613285028 /nfs/dbraw/zinc/28/50/28/613285028.db2.gz DHNQXWVBWVABQW-ZJUUUORDSA-N 1 2 282.281 1.996 20 30 CDEDLO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971575345 613285029 /nfs/dbraw/zinc/28/50/29/613285029.db2.gz DHNQXWVBWVABQW-ZJUUUORDSA-N 1 2 282.281 1.996 20 30 CDEDLO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000971575345 613285031 /nfs/dbraw/zinc/28/50/31/613285031.db2.gz DHNQXWVBWVABQW-ZJUUUORDSA-N 1 2 282.281 1.996 20 30 CDEDLO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000971575345 613285033 /nfs/dbraw/zinc/28/50/33/613285033.db2.gz DHNQXWVBWVABQW-ZJUUUORDSA-N 1 2 282.281 1.996 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@]23CCOC3)C1 ZINC000957108506 613294995 /nfs/dbraw/zinc/29/49/95/613294995.db2.gz GBUQTSBDCFQCIJ-HOCLYGCPSA-N 1 2 278.396 1.522 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cncc(OC)n2)C1 ZINC000952407489 613297508 /nfs/dbraw/zinc/29/75/08/613297508.db2.gz VZTAZQMYGBPCJE-UHFFFAOYSA-N 1 2 290.367 1.208 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2scnc2Cl)C(C)(C)C1 ZINC000977607281 613301932 /nfs/dbraw/zinc/30/19/32/613301932.db2.gz FTTTTYHSTLOISV-VIFPVBQESA-N 1 2 297.811 1.870 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2scnc2Cl)C(C)(C)C1 ZINC000977607281 613301934 /nfs/dbraw/zinc/30/19/34/613301934.db2.gz FTTTTYHSTLOISV-VIFPVBQESA-N 1 2 297.811 1.870 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC000970439320 613371642 /nfs/dbraw/zinc/37/16/42/613371642.db2.gz GFZIKIGMMBSYGH-XWIASGKRSA-N 1 2 286.803 1.600 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)c2cnc[nH]c2=O)CC1 ZINC000981414378 613374110 /nfs/dbraw/zinc/37/41/10/613374110.db2.gz URZVYQSAWHTOOL-UHFFFAOYSA-N 1 2 296.758 1.083 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)c2cnc[nH]c2=O)CC1 ZINC000981414378 613374111 /nfs/dbraw/zinc/37/41/11/613374111.db2.gz URZVYQSAWHTOOL-UHFFFAOYSA-N 1 2 296.758 1.083 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000981186431 613456558 /nfs/dbraw/zinc/45/65/58/613456558.db2.gz RSYQEFNAUJJISB-KGLIPLIRSA-N 1 2 284.375 1.471 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](CCF)CC1 ZINC000981186431 613456559 /nfs/dbraw/zinc/45/65/59/613456559.db2.gz RSYQEFNAUJJISB-KGLIPLIRSA-N 1 2 284.375 1.471 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](CC(=C)Cl)CC1 ZINC000981992997 613462367 /nfs/dbraw/zinc/46/23/67/613462367.db2.gz UHHGFLVRRSWVQW-KGLIPLIRSA-N 1 2 298.814 1.864 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](CC(=C)Cl)CC1 ZINC000981992997 613462369 /nfs/dbraw/zinc/46/23/69/613462369.db2.gz UHHGFLVRRSWVQW-KGLIPLIRSA-N 1 2 298.814 1.864 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000981887724 613501893 /nfs/dbraw/zinc/50/18/93/613501893.db2.gz NQTBOFCZKCQEPX-XJKSGUPXSA-N 1 2 293.411 1.012 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000981887724 613501894 /nfs/dbraw/zinc/50/18/94/613501894.db2.gz NQTBOFCZKCQEPX-XJKSGUPXSA-N 1 2 293.411 1.012 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(C)CCC3)C2)C1 ZINC000972501931 613569981 /nfs/dbraw/zinc/56/99/81/613569981.db2.gz JHYDOPVNVFZVRP-KRWDZBQOSA-N 1 2 290.407 1.503 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(C)CCC3)C2)C1 ZINC000972501931 613569982 /nfs/dbraw/zinc/56/99/82/613569982.db2.gz JHYDOPVNVFZVRP-KRWDZBQOSA-N 1 2 290.407 1.503 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2OCC)C1 ZINC000949716496 613654789 /nfs/dbraw/zinc/65/47/89/613654789.db2.gz VTRMGCHICZXXRW-CHWSQXEVSA-N 1 2 252.358 1.130 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@H]2OCC)C1 ZINC000949716498 613655943 /nfs/dbraw/zinc/65/59/43/613655943.db2.gz VTRMGCHICZXXRW-QWHCGFSZSA-N 1 2 252.358 1.130 20 30 CDEDLO C=CC[N@H+]1CCCN(C(=O)c2snnc2CC)CC1 ZINC000981569373 613700368 /nfs/dbraw/zinc/70/03/68/613700368.db2.gz IDDFBDFHBDOVCE-UHFFFAOYSA-N 1 2 280.397 1.434 20 30 CDEDLO C=CC[N@@H+]1CCCN(C(=O)c2snnc2CC)CC1 ZINC000981569373 613700369 /nfs/dbraw/zinc/70/03/69/613700369.db2.gz IDDFBDFHBDOVCE-UHFFFAOYSA-N 1 2 280.397 1.434 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2CC3(C2)CCOCC3)CC1 ZINC000957319303 613706730 /nfs/dbraw/zinc/70/67/30/613706730.db2.gz HMXPAWYGXODULA-UHFFFAOYSA-N 1 2 278.396 1.523 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCc3nn(C)cc32)CC1 ZINC000949872065 613710940 /nfs/dbraw/zinc/71/09/40/613710940.db2.gz JGXNAHDGZVYMHQ-CYBMUJFWSA-N 1 2 288.395 1.170 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccnn2-c2ccccc2)CC1 ZINC000948899759 613717422 /nfs/dbraw/zinc/71/74/22/613717422.db2.gz KTOMUIBCKQCWCE-UHFFFAOYSA-N 1 2 296.374 1.816 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccccc3)C2)C1 ZINC000972230053 613726778 /nfs/dbraw/zinc/72/67/78/613726778.db2.gz HAGAKFQIIXYWFF-QGZVFWFLSA-N 1 2 286.375 1.790 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccccc3)C2)C1 ZINC000972230053 613726780 /nfs/dbraw/zinc/72/67/80/613726780.db2.gz HAGAKFQIIXYWFF-QGZVFWFLSA-N 1 2 286.375 1.790 20 30 CDEDLO C#CC[NH+]1CCN(c2cc(C)nc(C3CCC3)n2)CC1 ZINC000891679262 617535113 /nfs/dbraw/zinc/53/51/13/617535113.db2.gz RRNJJJCPZDIGMD-UHFFFAOYSA-N 1 2 270.380 1.808 20 30 CDEDLO C#CCN1CCN(c2cc(C)[nH+]c(C3CCC3)n2)CC1 ZINC000891679262 617535115 /nfs/dbraw/zinc/53/51/15/617535115.db2.gz RRNJJJCPZDIGMD-UHFFFAOYSA-N 1 2 270.380 1.808 20 30 CDEDLO CN(C)c1cc(NCCNc2ccc(C#N)cn2)[nH+]cn1 ZINC000891746946 617566534 /nfs/dbraw/zinc/56/65/34/617566534.db2.gz DJBHWIICUNTRCT-UHFFFAOYSA-N 1 2 283.339 1.333 20 30 CDEDLO CN(C)c1cc(NCCNc2ccc(C#N)cn2)nc[nH+]1 ZINC000891746946 617566537 /nfs/dbraw/zinc/56/65/37/617566537.db2.gz DJBHWIICUNTRCT-UHFFFAOYSA-N 1 2 283.339 1.333 20 30 CDEDLO C#CC[N@@H+](CCCCC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000891747110 617566634 /nfs/dbraw/zinc/56/66/34/617566634.db2.gz GLAWXKNGHNUFQK-CQSZACIVSA-N 1 2 271.426 1.935 20 30 CDEDLO C#CC[N@H+](CCCCC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000891747110 617566638 /nfs/dbraw/zinc/56/66/38/617566638.db2.gz GLAWXKNGHNUFQK-CQSZACIVSA-N 1 2 271.426 1.935 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891935231 617798227 /nfs/dbraw/zinc/79/82/27/617798227.db2.gz YMMSCCXNEWATME-UTUOFQBUSA-N 1 2 256.321 1.854 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891935231 617798231 /nfs/dbraw/zinc/79/82/31/617798231.db2.gz YMMSCCXNEWATME-UTUOFQBUSA-N 1 2 256.321 1.854 20 30 CDEDLO C#CCNC(=O)C1CC[NH+](Cc2nc(C(C)C)c[nH]2)CC1 ZINC000893972495 618230875 /nfs/dbraw/zinc/23/08/75/618230875.db2.gz CZFFUTGIHYCIQW-UHFFFAOYSA-N 1 2 288.395 1.495 20 30 CDEDLO CCn1cc(CNc2[nH+]cccc2OCCCC#N)nn1 ZINC000902068197 618533862 /nfs/dbraw/zinc/53/38/62/618533862.db2.gz XPIVTUPXDBYPAA-UHFFFAOYSA-N 1 2 286.339 1.988 20 30 CDEDLO CN(C)c1cc(N(C)C[C@H](O)c2cccc(C#N)c2)nc[nH+]1 ZINC000894379232 618835679 /nfs/dbraw/zinc/83/56/79/618835679.db2.gz KIQLHUXXPXIDGD-AWEZNQCLSA-N 1 2 297.362 1.584 20 30 CDEDLO CN(C)c1cc(N(C)C[C@H](O)c2cccc(C#N)c2)[nH+]cn1 ZINC000894379232 618835683 /nfs/dbraw/zinc/83/56/83/618835683.db2.gz KIQLHUXXPXIDGD-AWEZNQCLSA-N 1 2 297.362 1.584 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2cccc(O)c2Cl)CCCN1O ZINC000895158618 619374662 /nfs/dbraw/zinc/37/46/62/619374662.db2.gz KYAXLBHJEXKIER-VIFPVBQESA-N 1 2 270.716 1.515 20 30 CDEDLO CC(C)c1cnc(C[NH2+][C@H]2CCCN(O)C2=O)s1 ZINC000895159021 619375868 /nfs/dbraw/zinc/37/58/68/619375868.db2.gz BRRCLLAWKCJTMN-VIFPVBQESA-N 1 2 269.370 1.736 20 30 CDEDLO Cn1c(Cl)nc(Cl)c1C[NH2+][C@H]1CCCN(O)C1=O ZINC000895167109 619396743 /nfs/dbraw/zinc/39/67/43/619396743.db2.gz UERSPENLXRSNSI-LURJTMIESA-N 1 2 293.154 1.197 20 30 CDEDLO C#CCSCC(=O)NCCCCn1cc[nH+]c1 ZINC000895827585 619856086 /nfs/dbraw/zinc/85/60/86/619856086.db2.gz NIJWDXKJRUEUKQ-UHFFFAOYSA-N 1 2 251.355 1.146 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ncc(C#N)s1 ZINC000896493789 620116704 /nfs/dbraw/zinc/11/67/04/620116704.db2.gz UXYGUPABEXYTNW-RKDXNWHRSA-N 1 2 273.321 1.490 20 30 CDEDLO C#Cc1cccnc1N1CCc2c([nH+]cn2CC)C1 ZINC000896653653 620184040 /nfs/dbraw/zinc/18/40/40/620184040.db2.gz FGYQUIAETFTQSP-UHFFFAOYSA-N 1 2 252.321 1.842 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928643458 620298608 /nfs/dbraw/zinc/29/86/08/620298608.db2.gz CSIBALWVRJDWEI-ZFWWWQNUSA-N 1 2 268.401 1.816 20 30 CDEDLO Cc1[nH]c(CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)[nH+]c1C ZINC000896929669 620314258 /nfs/dbraw/zinc/31/42/58/620314258.db2.gz LTMCGKSLVWYSHP-LBPRGKRZSA-N 1 2 298.346 1.982 20 30 CDEDLO C#C[C@@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(C)C ZINC000897652775 621051128 /nfs/dbraw/zinc/05/11/28/621051128.db2.gz IBHVGBMPRMESMM-RISCZKNCSA-N 1 2 274.368 1.564 20 30 CDEDLO C#C[C@@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(C)C ZINC000897652775 621051129 /nfs/dbraw/zinc/05/11/29/621051129.db2.gz IBHVGBMPRMESMM-RISCZKNCSA-N 1 2 274.368 1.564 20 30 CDEDLO C=CCN(CC(=O)OCC)C(=O)CNc1cccc[nH+]1 ZINC000901213386 624008166 /nfs/dbraw/zinc/00/81/66/624008166.db2.gz KTCZNYZTUTWJSC-UHFFFAOYSA-N 1 2 277.324 1.071 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1CCN(Cc2ccccc2F)C1=O ZINC000902244071 624601895 /nfs/dbraw/zinc/60/18/95/624601895.db2.gz QCINUJLXVXUMSF-ZDUSSCGKSA-N 1 2 289.354 1.974 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1CCN(Cc2ccccc2F)C1=O ZINC000902244071 624601896 /nfs/dbraw/zinc/60/18/96/624601896.db2.gz QCINUJLXVXUMSF-ZDUSSCGKSA-N 1 2 289.354 1.974 20 30 CDEDLO C#CC[N@H+](Cn1cc(Br)cn1)C(C)C ZINC000905740977 626955972 /nfs/dbraw/zinc/95/59/72/626955972.db2.gz AETRKTMFFYHOQA-UHFFFAOYSA-N 1 2 256.147 1.947 20 30 CDEDLO C#CC[N@@H+](Cn1cc(Br)cn1)C(C)C ZINC000905740977 626955975 /nfs/dbraw/zinc/95/59/75/626955975.db2.gz AETRKTMFFYHOQA-UHFFFAOYSA-N 1 2 256.147 1.947 20 30 CDEDLO C[Si](C)(C)C#CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000912329782 629911479 /nfs/dbraw/zinc/91/14/79/629911479.db2.gz VHNCHIDQZUSGNG-UHFFFAOYSA-N 1 2 263.417 1.729 20 30 CDEDLO C[Si](C)(C)C#CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000912329782 629911480 /nfs/dbraw/zinc/91/14/80/629911480.db2.gz VHNCHIDQZUSGNG-UHFFFAOYSA-N 1 2 263.417 1.729 20 30 CDEDLO CC(=Nn1cnnc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000916592853 632035163 /nfs/dbraw/zinc/03/51/63/632035163.db2.gz ZZRQFIKOBYGBCN-UHFFFAOYSA-N 1 2 252.281 1.736 20 30 CDEDLO Nc1ccc(CN=Nc2ccc(C(F)(F)F)nn2)c[nH+]1 ZINC000807981845 1162794955 /nfs/dbraw/zinc/79/49/55/1162794955.db2.gz NQLJPLKNNHMZJT-UHFFFAOYSA-N 1 2 282.229 1.919 20 30 CDEDLO C=CCCn1cc(CN2CCc3c([nH+]cn3CC)C2)nn1 ZINC000933252933 1158783021 /nfs/dbraw/zinc/78/30/21/1158783021.db2.gz KSKPPTSPHBDUHQ-UHFFFAOYSA-N 1 2 286.383 1.629 20 30 CDEDLO C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001038261355 1159227980 /nfs/dbraw/zinc/22/79/80/1159227980.db2.gz JTFOZKWBJVLSIV-STQMWFEESA-N 1 2 288.395 1.596 20 30 CDEDLO C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001038261355 1159227981 /nfs/dbraw/zinc/22/79/81/1159227981.db2.gz JTFOZKWBJVLSIV-STQMWFEESA-N 1 2 288.395 1.596 20 30 CDEDLO C#Cc1ccc(C[NH+]2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000809541925 1163033379 /nfs/dbraw/zinc/03/33/79/1163033379.db2.gz QNOOYYVWADDWIO-GOSISDBHSA-N 1 2 284.403 1.965 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cnn(C)n1 ZINC001024707296 1159428275 /nfs/dbraw/zinc/42/82/75/1159428275.db2.gz JXVQRNAPBRVCIG-LLVKDONJSA-N 1 2 297.790 1.152 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn(C)n1 ZINC001024707296 1159428277 /nfs/dbraw/zinc/42/82/77/1159428277.db2.gz JXVQRNAPBRVCIG-LLVKDONJSA-N 1 2 297.790 1.152 20 30 CDEDLO COc1ccccc1N1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000809571329 1163038606 /nfs/dbraw/zinc/03/86/06/1163038606.db2.gz OCEXUEPSAMWZJI-CYBMUJFWSA-N 1 2 275.352 1.092 20 30 CDEDLO C=CCN1CCN(C[N@H+]2CCCc3c(cnn3C)C2)C1=O ZINC000840173802 1160271965 /nfs/dbraw/zinc/27/19/65/1160271965.db2.gz USNJXFXAPPTPNL-UHFFFAOYSA-N 1 2 289.383 1.049 20 30 CDEDLO C=CCN1CCN(C[N@@H+]2CCCc3c(cnn3C)C2)C1=O ZINC000840173802 1160271972 /nfs/dbraw/zinc/27/19/72/1160271972.db2.gz USNJXFXAPPTPNL-UHFFFAOYSA-N 1 2 289.383 1.049 20 30 CDEDLO Cn1ncc(C[NH2+]C2(c3cccc(C#N)c3)CC2)n1 ZINC000809971863 1163126300 /nfs/dbraw/zinc/12/63/00/1163126300.db2.gz MPPZDKAOPFYQDT-UHFFFAOYSA-N 1 2 253.309 1.466 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)CCC)c1nccn12 ZINC001101602834 1160548708 /nfs/dbraw/zinc/54/87/08/1160548708.db2.gz PZTZRYQWGDRONX-GFCCVEGCSA-N 1 2 274.368 1.441 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccccn2c1 ZINC001032663506 1161416625 /nfs/dbraw/zinc/41/66/25/1161416625.db2.gz PSTHCYBBUURQQH-HOTGVXAUSA-N 1 2 279.343 1.471 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccccn2c1 ZINC001032663506 1161416629 /nfs/dbraw/zinc/41/66/29/1161416629.db2.gz PSTHCYBBUURQQH-HOTGVXAUSA-N 1 2 279.343 1.471 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(O)c(Cl)c2)C1 ZINC000923587823 1161547929 /nfs/dbraw/zinc/54/79/29/1161547929.db2.gz QVDVZPVAUYSUFQ-LBPRGKRZSA-N 1 2 292.766 1.873 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(O)c(Cl)c2)C1 ZINC000923587823 1161547933 /nfs/dbraw/zinc/54/79/33/1161547933.db2.gz QVDVZPVAUYSUFQ-LBPRGKRZSA-N 1 2 292.766 1.873 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1onc(C)c1C ZINC001085662449 1161949961 /nfs/dbraw/zinc/94/99/61/1161949961.db2.gz ZUSXFWYHVJHTFI-ZDUSSCGKSA-N 1 2 275.352 1.461 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1onc(C)c1C ZINC001085662449 1161949965 /nfs/dbraw/zinc/94/99/65/1161949965.db2.gz ZUSXFWYHVJHTFI-ZDUSSCGKSA-N 1 2 275.352 1.461 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001108286208 1161984448 /nfs/dbraw/zinc/98/44/48/1161984448.db2.gz WOGPOVULYCFDEC-RYUDHWBXSA-N 1 2 292.383 1.683 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](OC)[C@@H](C)CC)CC1 ZINC001113045130 1162084875 /nfs/dbraw/zinc/08/48/75/1162084875.db2.gz ZQWKFNZWWLCIKS-STQMWFEESA-N 1 2 254.374 1.378 20 30 CDEDLO C[C@@H](Nc1ccc(C#N)cn1)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001113081435 1162094626 /nfs/dbraw/zinc/09/46/26/1162094626.db2.gz CXENTVKHWCUJTG-NEPJUHHUSA-N 1 2 298.350 1.155 20 30 CDEDLO COc1cc(C=NNc2[nH+]ccn2C)cc(OC)c1 ZINC000790307280 1162143447 /nfs/dbraw/zinc/14/34/47/1162143447.db2.gz VQOPKKCVQQMKSQ-UHFFFAOYSA-N 1 2 260.297 1.883 20 30 CDEDLO N#Cc1ccc(OCC(=O)OCc2cc[nH+]c(N)c2)cc1 ZINC000791499030 1162231998 /nfs/dbraw/zinc/23/19/98/1162231998.db2.gz SVUFZMDCIUJRKZ-UHFFFAOYSA-N 1 2 283.287 1.658 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001132670799 1163432877 /nfs/dbraw/zinc/43/28/77/1163432877.db2.gz BBQIHNCJIMPNBF-PWSUYJOCSA-N 1 2 280.372 1.747 20 30 CDEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(C#N)n1 ZINC000811890781 1163555654 /nfs/dbraw/zinc/55/56/54/1163555654.db2.gz BELSXLZRSSJWRM-AWEZNQCLSA-N 1 2 297.362 1.994 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1nnc(C(C)C)s1 ZINC000794575513 1164497835 /nfs/dbraw/zinc/49/78/35/1164497835.db2.gz YKPDCTUYHFOBOM-UHFFFAOYSA-N 1 2 280.397 1.944 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)nn1 ZINC000873134046 1165514083 /nfs/dbraw/zinc/51/40/83/1165514083.db2.gz MRTPPGAPZQEMJM-UHFFFAOYSA-N 1 2 287.323 1.971 20 30 CDEDLO Cc1c[nH+]cc(C)c1NC(=O)c1ccc(C#N)cn1 ZINC001616247563 1165564598 /nfs/dbraw/zinc/56/45/98/1165564598.db2.gz WEHKHMUCKCVFHN-UHFFFAOYSA-N 1 2 252.277 1.639 20 30 CDEDLO C#C[C@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000825728332 1165624911 /nfs/dbraw/zinc/62/49/11/1165624911.db2.gz TYNOBABVQMIDJR-ZFWWWQNUSA-N 1 2 282.347 1.945 20 30 CDEDLO C[C@@H](C[C@H](C)[NH2+]Cc1c[nH]nn1)NC(=O)C#CC(C)(C)C ZINC001575508812 1171188550 /nfs/dbraw/zinc/18/85/50/1171188550.db2.gz GIEZSENZRLQRMW-RYUDHWBXSA-N 1 2 291.399 1.227 20 30 CDEDLO C[C@@H](C[C@H](C)[NH2+]Cc1cn[nH]n1)NC(=O)C#CC(C)(C)C ZINC001575508812 1171188552 /nfs/dbraw/zinc/18/85/52/1171188552.db2.gz GIEZSENZRLQRMW-RYUDHWBXSA-N 1 2 291.399 1.227 20 30 CDEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001590054490 1173240066 /nfs/dbraw/zinc/24/00/66/1173240066.db2.gz KUZSQDMPOJDJDJ-GFCCVEGCSA-N 1 2 274.353 1.664 20 30 CDEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001590054490 1173240069 /nfs/dbraw/zinc/24/00/69/1173240069.db2.gz KUZSQDMPOJDJDJ-GFCCVEGCSA-N 1 2 274.353 1.664 20 30 CDEDLO O=C1C=C([NH2+]Nc2ccc(-c3nn[nH]n3)cc2)[C@@H]2CCCN12 ZINC001593377359 1174073920 /nfs/dbraw/zinc/07/39/20/1174073920.db2.gz DXQJNCSXKLHFHK-LBPRGKRZSA-N 1 2 297.322 1.029 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC12CC2 ZINC001698997575 1176028883 /nfs/dbraw/zinc/02/88/83/1176028883.db2.gz RTWBKGYWLASDCH-NSHDSACASA-N 1 2 256.777 1.929 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC12CC2 ZINC001698997575 1176028880 /nfs/dbraw/zinc/02/88/80/1176028880.db2.gz RTWBKGYWLASDCH-NSHDSACASA-N 1 2 256.777 1.929 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cncnc1 ZINC001732580222 1183025279 /nfs/dbraw/zinc/02/52/79/1183025279.db2.gz JCGRLJKBXFENJS-UHFFFAOYSA-N 1 2 268.748 1.233 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cncnc1 ZINC001732580222 1183025285 /nfs/dbraw/zinc/02/52/85/1183025285.db2.gz JCGRLJKBXFENJS-UHFFFAOYSA-N 1 2 268.748 1.233 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CSCCC ZINC001752523895 1184875803 /nfs/dbraw/zinc/87/58/03/1184875803.db2.gz JVOHGJWMMKQMST-OKILXGFUSA-N 1 2 280.437 1.828 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CSCCC ZINC001752523895 1184875807 /nfs/dbraw/zinc/87/58/07/1184875807.db2.gz JVOHGJWMMKQMST-OKILXGFUSA-N 1 2 280.437 1.828 20 30 CDEDLO C=C(C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cnns1 ZINC001753106098 1185063069 /nfs/dbraw/zinc/06/30/69/1185063069.db2.gz LUIIXTTULQOXQA-GFCCVEGCSA-N 1 2 294.424 1.975 20 30 CDEDLO C=C(C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1cnns1 ZINC001753106098 1185063076 /nfs/dbraw/zinc/06/30/76/1185063076.db2.gz LUIIXTTULQOXQA-GFCCVEGCSA-N 1 2 294.424 1.975 20 30 CDEDLO C#CCCCC(=O)N(C)CC[NH2+]Cc1ncc(C)o1 ZINC001753184389 1185109098 /nfs/dbraw/zinc/10/90/98/1185109098.db2.gz KHTNWKWAHASMCC-UHFFFAOYSA-N 1 2 263.341 1.335 20 30 CDEDLO C=C(C)CCC(=O)N(C)CC[NH2+][C@H](C)c1nc(C)no1 ZINC001753193056 1185112085 /nfs/dbraw/zinc/11/20/85/1185112085.db2.gz FTEMGCJTIVSTHV-LLVKDONJSA-N 1 2 280.372 1.843 20 30 CDEDLO C=C(C)CCC(=O)NC1C[NH+](CCc2ccnn2C)C1 ZINC001753379207 1185178013 /nfs/dbraw/zinc/17/80/13/1185178013.db2.gz KWSAKAWLKARFLV-UHFFFAOYSA-N 1 2 276.384 1.119 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)CCc2cncs2)C1 ZINC001753387426 1185179815 /nfs/dbraw/zinc/17/98/15/1185179815.db2.gz OZSRDHCPKDEEGZ-UHFFFAOYSA-N 1 2 251.355 1.062 20 30 CDEDLO C=CCCC(=O)N[C@H](C)C[NH2+]Cc1nc(C(C)C)no1 ZINC001754219667 1185511260 /nfs/dbraw/zinc/51/12/60/1185511260.db2.gz RPGAXAOQGBGAJG-LLVKDONJSA-N 1 2 280.372 1.754 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)C(F)(F)F ZINC001754499437 1185644120 /nfs/dbraw/zinc/64/41/20/1185644120.db2.gz GXBRUNQPXKNHJY-JTQLQIEISA-N 1 2 276.302 1.789 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)C(C)(C)C(F)(F)F ZINC001754499437 1185644121 /nfs/dbraw/zinc/64/41/21/1185644121.db2.gz GXBRUNQPXKNHJY-JTQLQIEISA-N 1 2 276.302 1.789 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2ccoc2Cl)C1 ZINC001754573926 1185671068 /nfs/dbraw/zinc/67/10/68/1185671068.db2.gz CIWLQOAKQSGAGS-UHFFFAOYSA-N 1 2 298.770 1.892 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@H]2OC)C1 ZINC001754577344 1185672093 /nfs/dbraw/zinc/67/20/93/1185672093.db2.gz RIOOKZPEWNQARR-HUUCEWRRSA-N 1 2 296.411 1.147 20 30 CDEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)c2ccccc2CC)C1 ZINC001754773030 1185729349 /nfs/dbraw/zinc/72/93/49/1185729349.db2.gz ZWDRNBBJSMLDBO-UHFFFAOYSA-N 1 2 288.391 1.602 20 30 CDEDLO C=C(C)CCC(=O)NC[C@H]1COCC[N@H+]1C[C@@H](C)OC ZINC001754967112 1185772562 /nfs/dbraw/zinc/77/25/62/1185772562.db2.gz AYRSMHJUQMGJBD-KGLIPLIRSA-N 1 2 284.400 1.195 20 30 CDEDLO C=C(C)CCC(=O)NC[C@H]1COCC[N@@H+]1C[C@@H](C)OC ZINC001754967112 1185772566 /nfs/dbraw/zinc/77/25/66/1185772566.db2.gz AYRSMHJUQMGJBD-KGLIPLIRSA-N 1 2 284.400 1.195 20 30 CDEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)CC[C@H](C)CC ZINC001754971955 1185774571 /nfs/dbraw/zinc/77/45/71/1185774571.db2.gz DENHQECCMPORAU-HUUCEWRRSA-N 1 2 280.412 1.653 20 30 CDEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)CC[C@H](C)CC ZINC001754971955 1185774574 /nfs/dbraw/zinc/77/45/74/1185774574.db2.gz DENHQECCMPORAU-HUUCEWRRSA-N 1 2 280.412 1.653 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(CC)CC)CO2 ZINC001755065122 1185804737 /nfs/dbraw/zinc/80/47/37/1185804737.db2.gz DRSQBCGTMJOWQV-AWEZNQCLSA-N 1 2 292.423 1.796 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCC(=C)C)C2)C1 ZINC001755401811 1185940587 /nfs/dbraw/zinc/94/05/87/1185940587.db2.gz KWDWPYUVLYKXHM-INIZCTEOSA-N 1 2 278.396 1.832 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCC(=C)C)C2)C1 ZINC001755401811 1185940590 /nfs/dbraw/zinc/94/05/90/1185940590.db2.gz KWDWPYUVLYKXHM-INIZCTEOSA-N 1 2 278.396 1.832 20 30 CDEDLO C=CCC[C@@H](O)C[NH2+][C@H](C(=O)OC)C1CCCC1 ZINC001252620889 1164719319 /nfs/dbraw/zinc/71/93/19/1164719319.db2.gz QUUYGRNHOCINNM-OLZOCXBDSA-N 1 2 255.358 1.635 20 30 CDEDLO Cc1nn(-c2ccc(C)cc2)cc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000848407620 783622496 /nfs/dbraw/zinc/62/24/96/783622496.db2.gz ALNVETUOYWDPIS-LBPRGKRZSA-N 1 2 296.378 1.760 20 30 CDEDLO C=CC1CC[NH+](Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000183332018 783639890 /nfs/dbraw/zinc/63/98/90/783639890.db2.gz HHSVHXGQJRGKLQ-UHFFFAOYSA-N 1 2 250.302 1.955 20 30 CDEDLO C=C1CC(C)(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C)o3)C2)C1 ZINC001019353409 783667765 /nfs/dbraw/zinc/66/77/65/783667765.db2.gz JDUNZSZREJNLDJ-LBPRGKRZSA-N 1 2 290.367 1.425 20 30 CDEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](CC=C(C)C)C2)cn1 ZINC001044201333 783674123 /nfs/dbraw/zinc/67/41/23/783674123.db2.gz CBVMUHPVMNWHNO-UHFFFAOYSA-N 1 2 283.375 1.785 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1CCO[C@H](C)C#N ZINC000801943379 783685820 /nfs/dbraw/zinc/68/58/20/783685820.db2.gz SNPSKIUSUVOLKP-TUAOUCFPSA-N 1 2 254.330 1.189 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1CCO[C@H](C)C#N ZINC000801943379 783685826 /nfs/dbraw/zinc/68/58/26/783685826.db2.gz SNPSKIUSUVOLKP-TUAOUCFPSA-N 1 2 254.330 1.189 20 30 CDEDLO CN(Cc1cc(C#N)cs1)C(=O)Cc1c[nH+]c[nH]1 ZINC000887964970 783711278 /nfs/dbraw/zinc/71/12/78/783711278.db2.gz SRRVELMNUAPYIH-UHFFFAOYSA-N 1 2 260.322 1.544 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(C(C)C)c1 ZINC001038907172 783800714 /nfs/dbraw/zinc/80/07/14/783800714.db2.gz WNSRJFXQRQSTAC-CQSZACIVSA-N 1 2 274.368 1.291 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(C(C)C)c1 ZINC001038907172 783800716 /nfs/dbraw/zinc/80/07/16/783800716.db2.gz WNSRJFXQRQSTAC-CQSZACIVSA-N 1 2 274.368 1.291 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](CC(C)C)C1 ZINC000884158206 783829964 /nfs/dbraw/zinc/82/99/64/783829964.db2.gz UEZRTNXZUVTLFH-KGLIPLIRSA-N 1 2 296.411 1.718 20 30 CDEDLO NC(Cc1cccnc1)=[NH+]OCCOCC(F)(F)F ZINC000181719498 783852293 /nfs/dbraw/zinc/85/22/93/783852293.db2.gz MYHJZBRQLNDMBS-UHFFFAOYSA-N 1 2 277.246 1.492 20 30 CDEDLO Cc1nc(C#N)cc(N2CCC([N@H+](C)CC(F)F)CC2)n1 ZINC000882057431 783880114 /nfs/dbraw/zinc/88/01/14/783880114.db2.gz CCUKNSSRHPHIHU-UHFFFAOYSA-N 1 2 295.337 1.822 20 30 CDEDLO Cc1nc(C#N)cc(N2CCC([N@@H+](C)CC(F)F)CC2)n1 ZINC000882057431 783880117 /nfs/dbraw/zinc/88/01/17/783880117.db2.gz CCUKNSSRHPHIHU-UHFFFAOYSA-N 1 2 295.337 1.822 20 30 CDEDLO C#C[C@H](NC(=O)c1cccc2[nH+]ccn21)[C@@H]1CCCO1 ZINC000775325723 783911191 /nfs/dbraw/zinc/91/11/91/783911191.db2.gz CITDZNAYDGSPSU-AAEUAGOBSA-N 1 2 269.304 1.245 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc3c(C)cccn3c2)C1 ZINC001031246999 783942421 /nfs/dbraw/zinc/94/24/21/783942421.db2.gz CLVOECPVPJEJSX-UHFFFAOYSA-N 1 2 281.359 1.685 20 30 CDEDLO Cc1ccc(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c(C#N)n1 ZINC000882599445 783945114 /nfs/dbraw/zinc/94/51/14/783945114.db2.gz XDWFECOYRKKLJK-CHWSQXEVSA-N 1 2 274.368 1.783 20 30 CDEDLO Cc1ccc(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c(C#N)n1 ZINC000882599445 783945128 /nfs/dbraw/zinc/94/51/28/783945128.db2.gz XDWFECOYRKKLJK-CHWSQXEVSA-N 1 2 274.368 1.783 20 30 CDEDLO C=CC[N@H+](Cc1ccccc1)CN1CC(=O)N(C)C1=O ZINC000182266822 783975640 /nfs/dbraw/zinc/97/56/40/783975640.db2.gz FYXJDGURISHMMT-UHFFFAOYSA-N 1 2 273.336 1.526 20 30 CDEDLO C=CC[N@@H+](Cc1ccccc1)CN1CC(=O)N(C)C1=O ZINC000182266822 783975648 /nfs/dbraw/zinc/97/56/48/783975648.db2.gz FYXJDGURISHMMT-UHFFFAOYSA-N 1 2 273.336 1.526 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(C)nc2)C1 ZINC001042483590 783987767 /nfs/dbraw/zinc/98/77/67/783987767.db2.gz MALKSDAWPVGMCF-UHFFFAOYSA-N 1 2 259.353 1.722 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2c[nH]nc2CC)C1 ZINC001033221024 784007994 /nfs/dbraw/zinc/00/79/94/784007994.db2.gz OEPHTBUDQUSLSZ-NSHDSACASA-N 1 2 296.802 1.871 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]nc2CC)C1 ZINC001033221024 784008004 /nfs/dbraw/zinc/00/80/04/784008004.db2.gz OEPHTBUDQUSLSZ-NSHDSACASA-N 1 2 296.802 1.871 20 30 CDEDLO COCOc1ccc(OC)cc1C[NH2+]CCC#N ZINC000787298159 784008221 /nfs/dbraw/zinc/00/82/21/784008221.db2.gz HSDIUJZEXVHTRT-UHFFFAOYSA-N 1 2 250.298 1.681 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(-c2ncon2)c1 ZINC001038694958 784044150 /nfs/dbraw/zinc/04/41/50/784044150.db2.gz XSEOCGBVTSZIHC-CQSZACIVSA-N 1 2 296.330 1.174 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(-c2ncon2)c1 ZINC001038694958 784044153 /nfs/dbraw/zinc/04/41/53/784044153.db2.gz XSEOCGBVTSZIHC-CQSZACIVSA-N 1 2 296.330 1.174 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncc(C)cc1C ZINC001038535679 784048876 /nfs/dbraw/zinc/04/88/76/784048876.db2.gz GVYFBZFQBOKTTO-CQSZACIVSA-N 1 2 271.364 1.526 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncc(C)cc1C ZINC001038535679 784048883 /nfs/dbraw/zinc/04/88/83/784048883.db2.gz GVYFBZFQBOKTTO-CQSZACIVSA-N 1 2 271.364 1.526 20 30 CDEDLO Cc1[nH+]c[nH]c1CN=Nc1nc(-c2cccnc2)no1 ZINC000814948499 784055153 /nfs/dbraw/zinc/05/51/53/784055153.db2.gz QHRMOUQNIPSOIB-UHFFFAOYSA-N 1 2 269.268 1.609 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCO[C@@H](C(C)C)C2)C1 ZINC001031207983 784068802 /nfs/dbraw/zinc/06/88/02/784068802.db2.gz QIGNKQGRANGWIY-DZGCQCFKSA-N 1 2 278.396 1.261 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000830162280 784087925 /nfs/dbraw/zinc/08/79/25/784087925.db2.gz HHBKIRRIYAKNIK-UONOGXRCSA-N 1 2 268.401 1.816 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001043961351 784152122 /nfs/dbraw/zinc/15/21/22/784152122.db2.gz JTBOZHSAVRGAEV-UHFFFAOYSA-N 1 2 296.292 1.883 20 30 CDEDLO C[N@H+](Cn1cc2c(c(C#N)c1=O)CCCC2)C1CC1 ZINC000793483413 784162422 /nfs/dbraw/zinc/16/24/22/784162422.db2.gz KSUMBQUDMQKOMK-UHFFFAOYSA-N 1 2 257.337 1.650 20 30 CDEDLO C[N@@H+](Cn1cc2c(c(C#N)c1=O)CCCC2)C1CC1 ZINC000793483413 784162425 /nfs/dbraw/zinc/16/24/25/784162425.db2.gz KSUMBQUDMQKOMK-UHFFFAOYSA-N 1 2 257.337 1.650 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C2(c3cccnc3)CCCC2)C1 ZINC001030860597 784202108 /nfs/dbraw/zinc/20/21/08/784202108.db2.gz UJADARGUMMBNDX-UHFFFAOYSA-N 1 2 297.402 1.717 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](CN2C(=O)CC3(CCC3)C2=O)C1 ZINC000853524781 784218438 /nfs/dbraw/zinc/21/84/38/784218438.db2.gz QEZDSURESLYULF-LBPRGKRZSA-N 1 2 275.352 1.499 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](CN2C(=O)CC3(CCC3)C2=O)C1 ZINC000853524781 784218451 /nfs/dbraw/zinc/21/84/51/784218451.db2.gz QEZDSURESLYULF-LBPRGKRZSA-N 1 2 275.352 1.499 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCCO[C@H]2C)C1 ZINC001030253631 784389911 /nfs/dbraw/zinc/38/99/11/784389911.db2.gz RUOCUTYWHTYIKY-AAEUAGOBSA-N 1 2 252.358 1.178 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccc(C)o1 ZINC001032670393 784406748 /nfs/dbraw/zinc/40/67/48/784406748.db2.gz XJPDYTDEHGMITG-RDBSUJKOSA-N 1 2 272.348 1.610 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccc(C)o1 ZINC001032670393 784406756 /nfs/dbraw/zinc/40/67/56/784406756.db2.gz XJPDYTDEHGMITG-RDBSUJKOSA-N 1 2 272.348 1.610 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3n2[C@@H](C)CCC3)C1 ZINC001030345994 784409285 /nfs/dbraw/zinc/40/92/85/784409285.db2.gz NTMMXPKZTAKZQS-LBPRGKRZSA-N 1 2 286.379 1.218 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(F)cn1 ZINC001038181879 784457010 /nfs/dbraw/zinc/45/70/10/784457010.db2.gz BWMPOLRCMGTEQC-LBPRGKRZSA-N 1 2 261.300 1.048 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(F)cn1 ZINC001038181879 784457031 /nfs/dbraw/zinc/45/70/31/784457031.db2.gz BWMPOLRCMGTEQC-LBPRGKRZSA-N 1 2 261.300 1.048 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928647211 784533592 /nfs/dbraw/zinc/53/35/92/784533592.db2.gz JFRGNTIPPHOZQS-GFCCVEGCSA-N 1 2 254.374 1.426 20 30 CDEDLO C#CC(C)(C)[N@H+](C)CC(=O)NCC(=O)c1cccs1 ZINC000794574945 784663653 /nfs/dbraw/zinc/66/36/53/784663653.db2.gz QNRFWMOZYFLJST-UHFFFAOYSA-N 1 2 278.377 1.391 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)CC(=O)NCC(=O)c1cccs1 ZINC000794574945 784663665 /nfs/dbraw/zinc/66/36/65/784663665.db2.gz QNRFWMOZYFLJST-UHFFFAOYSA-N 1 2 278.377 1.391 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)c(NC(C)=O)c1 ZINC001038287139 784702306 /nfs/dbraw/zinc/70/23/06/784702306.db2.gz JUAIFAPMILTRBT-HNNXBMFYSA-N 1 2 299.374 1.391 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)c(NC(C)=O)c1 ZINC001038287139 784702352 /nfs/dbraw/zinc/70/23/52/784702352.db2.gz JUAIFAPMILTRBT-HNNXBMFYSA-N 1 2 299.374 1.391 20 30 CDEDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@H+](CCCCC#N)C1 ZINC000879765650 784703954 /nfs/dbraw/zinc/70/39/54/784703954.db2.gz PGMJRPXEVHMPAB-NSHDSACASA-N 1 2 277.290 1.823 20 30 CDEDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@@H+](CCCCC#N)C1 ZINC000879765650 784703966 /nfs/dbraw/zinc/70/39/66/784703966.db2.gz PGMJRPXEVHMPAB-NSHDSACASA-N 1 2 277.290 1.823 20 30 CDEDLO C=CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C(C)C ZINC000808710855 784809765 /nfs/dbraw/zinc/80/97/65/784809765.db2.gz OXAFDFMKFBVBEC-UHFFFAOYSA-N 1 2 293.392 1.623 20 30 CDEDLO C=CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C(C)C ZINC000808710855 784809766 /nfs/dbraw/zinc/80/97/66/784809766.db2.gz OXAFDFMKFBVBEC-UHFFFAOYSA-N 1 2 293.392 1.623 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2nccs2)C1 ZINC001027335980 784810515 /nfs/dbraw/zinc/81/05/15/784810515.db2.gz MDCBWNZTJNJHSS-VXGBXAGGSA-N 1 2 292.408 1.726 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2nccs2)C1 ZINC001027335980 784810518 /nfs/dbraw/zinc/81/05/18/784810518.db2.gz MDCBWNZTJNJHSS-VXGBXAGGSA-N 1 2 292.408 1.726 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1OCC=C ZINC001038428531 784817104 /nfs/dbraw/zinc/81/71/04/784817104.db2.gz SJRKOGHVPMMXOT-AWEZNQCLSA-N 1 2 284.359 1.689 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1OCC=C ZINC001038428531 784817116 /nfs/dbraw/zinc/81/71/16/784817116.db2.gz SJRKOGHVPMMXOT-AWEZNQCLSA-N 1 2 284.359 1.689 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1nccc2[nH]ccc21 ZINC001038714127 784859387 /nfs/dbraw/zinc/85/93/87/784859387.db2.gz WMWGLBMECZNJCU-LLVKDONJSA-N 1 2 268.320 1.000 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nccc2[nH]ccc21 ZINC001038714127 784859390 /nfs/dbraw/zinc/85/93/90/784859390.db2.gz WMWGLBMECZNJCU-LLVKDONJSA-N 1 2 268.320 1.000 20 30 CDEDLO C#CCOc1ccccc1CNC(=O)NCc1c[nH+]cn1C ZINC000290603948 784861108 /nfs/dbraw/zinc/86/11/08/784861108.db2.gz AXRZBKODBOPJNM-UHFFFAOYSA-N 1 2 298.346 1.432 20 30 CDEDLO CC#CC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000119624343 784873702 /nfs/dbraw/zinc/87/37/02/784873702.db2.gz NPFMYHAAOAIVTE-GFCCVEGCSA-N 1 2 252.358 1.951 20 30 CDEDLO CC#CC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000119624343 784873704 /nfs/dbraw/zinc/87/37/04/784873704.db2.gz NPFMYHAAOAIVTE-GFCCVEGCSA-N 1 2 252.358 1.951 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1C1CC1 ZINC001032591529 784892315 /nfs/dbraw/zinc/89/23/15/784892315.db2.gz YIAUOYJGOJNTAU-KBPBESRZSA-N 1 2 283.375 1.814 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1C1CC1 ZINC001032591529 784892318 /nfs/dbraw/zinc/89/23/18/784892318.db2.gz YIAUOYJGOJNTAU-KBPBESRZSA-N 1 2 283.375 1.814 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCCO[C@H]2CC)C1 ZINC001030419922 784895959 /nfs/dbraw/zinc/89/59/59/784895959.db2.gz CSMFJSDHYSOOMQ-KGLIPLIRSA-N 1 2 266.385 1.568 20 30 CDEDLO Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1cc(C#N)ccc1O)CC2 ZINC000845886623 784989184 /nfs/dbraw/zinc/98/91/84/784989184.db2.gz FAAWCUMVNJDXCF-LBPRGKRZSA-N 1 2 296.330 1.970 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ocnc3C)[C@@H]2C1 ZINC001075653161 785006533 /nfs/dbraw/zinc/00/65/33/785006533.db2.gz SGTIDLIJTKCCGH-NWDGAFQWSA-N 1 2 295.770 1.882 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ocnc3C)[C@@H]2C1 ZINC001075653161 785006542 /nfs/dbraw/zinc/00/65/42/785006542.db2.gz SGTIDLIJTKCCGH-NWDGAFQWSA-N 1 2 295.770 1.882 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2ccccc2n1 ZINC001032765630 785030398 /nfs/dbraw/zinc/03/03/98/785030398.db2.gz XMZSHINNKPSVGR-KBPBESRZSA-N 1 2 294.358 1.256 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2ccccc2n1 ZINC001032765630 785030407 /nfs/dbraw/zinc/03/04/07/785030407.db2.gz XMZSHINNKPSVGR-KBPBESRZSA-N 1 2 294.358 1.256 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)SC ZINC001017479621 785031281 /nfs/dbraw/zinc/03/12/81/785031281.db2.gz BLEQSTJBYJKGRJ-XQQFMLRXSA-N 1 2 268.426 1.989 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)SC ZINC001017479621 785031286 /nfs/dbraw/zinc/03/12/86/785031286.db2.gz BLEQSTJBYJKGRJ-XQQFMLRXSA-N 1 2 268.426 1.989 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(CC(C)C)[nH]1 ZINC001038251134 785171909 /nfs/dbraw/zinc/17/19/09/785171909.db2.gz PMKCMLIQZNABEI-CYBMUJFWSA-N 1 2 288.395 1.436 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(CC(C)C)[nH]1 ZINC001038251134 785171944 /nfs/dbraw/zinc/17/19/44/785171944.db2.gz PMKCMLIQZNABEI-CYBMUJFWSA-N 1 2 288.395 1.436 20 30 CDEDLO CC(=O)NC1C[NH+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000839098023 785345135 /nfs/dbraw/zinc/34/51/35/785345135.db2.gz HSNIAQKNSDYYBY-UHFFFAOYSA-N 1 2 286.379 1.357 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC001031383063 785369831 /nfs/dbraw/zinc/36/98/31/785369831.db2.gz MCOKYNLMNLPGFZ-UHFFFAOYSA-N 1 2 297.358 1.614 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C)no1 ZINC001050814590 785386427 /nfs/dbraw/zinc/38/64/27/785386427.db2.gz JAEWJLPJYNXBCU-CYBMUJFWSA-N 1 2 293.367 1.380 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C)no1 ZINC001050814590 785386443 /nfs/dbraw/zinc/38/64/43/785386443.db2.gz JAEWJLPJYNXBCU-CYBMUJFWSA-N 1 2 293.367 1.380 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccncc1F ZINC001050856807 785395782 /nfs/dbraw/zinc/39/57/82/785395782.db2.gz RGBJJOHWDGWCKR-GFCCVEGCSA-N 1 2 293.342 1.227 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccncc1F ZINC001050856807 785395796 /nfs/dbraw/zinc/39/57/96/785395796.db2.gz RGBJJOHWDGWCKR-GFCCVEGCSA-N 1 2 293.342 1.227 20 30 CDEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccccc1 ZINC000878680906 785398681 /nfs/dbraw/zinc/39/86/81/785398681.db2.gz XRIQTLZSJNZSGA-WBVHZDCISA-N 1 2 299.374 1.377 20 30 CDEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@@H]1C(N)=O)c1ccccc1 ZINC000878680906 785398687 /nfs/dbraw/zinc/39/86/87/785398687.db2.gz XRIQTLZSJNZSGA-WBVHZDCISA-N 1 2 299.374 1.377 20 30 CDEDLO Cc1ccccc1C(N)=[NH+]OCC(=O)NCC(C)C ZINC000047823554 785412914 /nfs/dbraw/zinc/41/29/14/785412914.db2.gz WLQBIWOXKSYGND-UHFFFAOYSA-N 1 2 263.341 1.404 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cn[nH]c2)[C@H]1C ZINC000993074241 785415220 /nfs/dbraw/zinc/41/52/20/785415220.db2.gz WPLKLJAVOLXPIG-PWSUYJOCSA-N 1 2 282.775 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn[nH]c2)[C@H]1C ZINC000993074241 785415228 /nfs/dbraw/zinc/41/52/28/785415228.db2.gz WPLKLJAVOLXPIG-PWSUYJOCSA-N 1 2 282.775 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn[nH]n2)CC1 ZINC001052519410 785432792 /nfs/dbraw/zinc/43/27/92/785432792.db2.gz XFJPTTFZRHNHFG-JTQLQIEISA-N 1 2 283.763 1.142 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cn[nH]n2)CC1 ZINC001052519410 785432800 /nfs/dbraw/zinc/43/28/00/785432800.db2.gz XFJPTTFZRHNHFG-JTQLQIEISA-N 1 2 283.763 1.142 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnn[nH]2)CC1 ZINC001052519410 785432805 /nfs/dbraw/zinc/43/28/05/785432805.db2.gz XFJPTTFZRHNHFG-JTQLQIEISA-N 1 2 283.763 1.142 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnn[nH]2)CC1 ZINC001052519410 785432810 /nfs/dbraw/zinc/43/28/10/785432810.db2.gz XFJPTTFZRHNHFG-JTQLQIEISA-N 1 2 283.763 1.142 20 30 CDEDLO C[C@H](C(=O)NCc1ccc(C#N)cn1)[NH+]1CCSCC1 ZINC000782030094 785493829 /nfs/dbraw/zinc/49/38/29/785493829.db2.gz GOIYHPWIIIKOKB-LLVKDONJSA-N 1 2 290.392 1.007 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1c2ccccc2C[C@@H]1C ZINC000884044235 785555897 /nfs/dbraw/zinc/55/58/97/785555897.db2.gz ZDBQRYFBUYPTRW-AAEUAGOBSA-N 1 2 288.347 1.411 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C)c(C)cn2)C1 ZINC001043426566 785603784 /nfs/dbraw/zinc/60/37/84/785603784.db2.gz NARABTLVCWFXGF-UHFFFAOYSA-N 1 2 271.364 1.478 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]nc1C1CC1 ZINC001032711786 785609076 /nfs/dbraw/zinc/60/90/76/785609076.db2.gz PKYLEVVJPLAIAC-STQMWFEESA-N 1 2 284.363 1.209 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]nc1C1CC1 ZINC001032711786 785609089 /nfs/dbraw/zinc/60/90/89/785609089.db2.gz PKYLEVVJPLAIAC-STQMWFEESA-N 1 2 284.363 1.209 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2cc(F)ccc2F)C1 ZINC001030866211 785787949 /nfs/dbraw/zinc/78/79/49/785787949.db2.gz QFCVYODQXICQPG-UHFFFAOYSA-N 1 2 278.302 1.331 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1onc(C)c1C ZINC001032465967 785806255 /nfs/dbraw/zinc/80/62/55/785806255.db2.gz GWCGBSZZUCXGJG-RYUDHWBXSA-N 1 2 261.325 1.376 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1onc(C)c1C ZINC001032465967 785806256 /nfs/dbraw/zinc/80/62/56/785806256.db2.gz GWCGBSZZUCXGJG-RYUDHWBXSA-N 1 2 261.325 1.376 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001031156832 785806589 /nfs/dbraw/zinc/80/65/89/785806589.db2.gz QVJQCYBWQYORLF-UHFFFAOYSA-N 1 2 284.363 1.861 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2nccs2)C1 ZINC001033995449 785825846 /nfs/dbraw/zinc/82/58/46/785825846.db2.gz FEDPDOSRFHOLGZ-LLVKDONJSA-N 1 2 263.366 1.313 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2nccs2)C1 ZINC001033995449 785825850 /nfs/dbraw/zinc/82/58/50/785825850.db2.gz FEDPDOSRFHOLGZ-LLVKDONJSA-N 1 2 263.366 1.313 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2nnn(C)c2C)C1 ZINC001046208793 785827087 /nfs/dbraw/zinc/82/70/87/785827087.db2.gz OIOULOIEKIOKDZ-CYBMUJFWSA-N 1 2 297.790 1.070 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2nnn(C)c2C)C1 ZINC001046208793 785827088 /nfs/dbraw/zinc/82/70/88/785827088.db2.gz OIOULOIEKIOKDZ-CYBMUJFWSA-N 1 2 297.790 1.070 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCOc2ccccc21 ZINC001032684027 785858953 /nfs/dbraw/zinc/85/89/53/785858953.db2.gz AYNBVGAMIZBGGH-DZKIICNBSA-N 1 2 296.370 1.471 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCOc2ccccc21 ZINC001032684027 785858957 /nfs/dbraw/zinc/85/89/57/785858957.db2.gz AYNBVGAMIZBGGH-DZKIICNBSA-N 1 2 296.370 1.471 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)[nH]nc1C(C)C ZINC001038902215 785860862 /nfs/dbraw/zinc/86/08/62/785860862.db2.gz DHTQAPHUHQBTOU-LBPRGKRZSA-N 1 2 274.368 1.279 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)[nH]nc1C(C)C ZINC001038902215 785860865 /nfs/dbraw/zinc/86/08/65/785860865.db2.gz DHTQAPHUHQBTOU-LBPRGKRZSA-N 1 2 274.368 1.279 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](CN2C[C@H]3CCCCN3C2=O)C1 ZINC000872624076 785919377 /nfs/dbraw/zinc/91/93/77/785919377.db2.gz HJONQKHVAFIPMW-ZIAGYGMSSA-N 1 2 276.384 1.860 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](CN2C[C@H]3CCCCN3C2=O)C1 ZINC000872624076 785919390 /nfs/dbraw/zinc/91/93/90/785919390.db2.gz HJONQKHVAFIPMW-ZIAGYGMSSA-N 1 2 276.384 1.860 20 30 CDEDLO C=CCCC(C)(C)NC(=O)NCc1c[nH+]cn1C ZINC000854067231 785980712 /nfs/dbraw/zinc/98/07/12/785980712.db2.gz VFIYKKFKLDZRHO-UHFFFAOYSA-N 1 2 250.346 1.964 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C1CC(F)(F)C1 ZINC001050865170 785988193 /nfs/dbraw/zinc/98/81/93/785988193.db2.gz IDGCLVZAKZNQLT-GFCCVEGCSA-N 1 2 288.338 1.425 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C1CC(F)(F)C1 ZINC001050865170 785988205 /nfs/dbraw/zinc/98/82/05/785988205.db2.gz IDGCLVZAKZNQLT-GFCCVEGCSA-N 1 2 288.338 1.425 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccsn2)C1 ZINC001043035349 785992366 /nfs/dbraw/zinc/99/23/66/785992366.db2.gz FEGVXPHBHQWZSU-UHFFFAOYSA-N 1 2 251.355 1.475 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn(CC)c2C)C1 ZINC001015891239 786023589 /nfs/dbraw/zinc/02/35/89/786023589.db2.gz FTZVEKBQCAJNAZ-LBPRGKRZSA-N 1 2 296.802 1.768 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn(CC)c2C)C1 ZINC001015891239 786023594 /nfs/dbraw/zinc/02/35/94/786023594.db2.gz FTZVEKBQCAJNAZ-LBPRGKRZSA-N 1 2 296.802 1.768 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)[nH]1 ZINC001017906366 786052919 /nfs/dbraw/zinc/05/29/19/786052919.db2.gz WMMYFYUZXFVSSL-TXEJJXNPSA-N 1 2 291.782 1.980 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)[nH]1 ZINC001017906366 786052931 /nfs/dbraw/zinc/05/29/31/786052931.db2.gz WMMYFYUZXFVSSL-TXEJJXNPSA-N 1 2 291.782 1.980 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001010407003 786065292 /nfs/dbraw/zinc/06/52/92/786065292.db2.gz IHGZSDGXRYSJJN-VXGBXAGGSA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001010407003 786065299 /nfs/dbraw/zinc/06/52/99/786065299.db2.gz IHGZSDGXRYSJJN-VXGBXAGGSA-N 1 2 272.776 1.356 20 30 CDEDLO CCCCCCCNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000875091107 786067033 /nfs/dbraw/zinc/06/70/33/786067033.db2.gz UPNFCQWWHUEMIA-ZDUSSCGKSA-N 1 2 294.399 1.474 20 30 CDEDLO C#C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)C(C)(C)C ZINC000868370317 786069799 /nfs/dbraw/zinc/06/97/99/786069799.db2.gz GFMJACURTOURPG-FWWRYZNZSA-N 1 2 264.369 1.039 20 30 CDEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1cc(F)ccc1F ZINC000852751626 786082699 /nfs/dbraw/zinc/08/26/99/786082699.db2.gz JAWXQDAAOHSELA-UHFFFAOYSA-N 1 2 296.317 1.875 20 30 CDEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1cc(F)ccc1F ZINC000852751626 786082705 /nfs/dbraw/zinc/08/27/05/786082705.db2.gz JAWXQDAAOHSELA-UHFFFAOYSA-N 1 2 296.317 1.875 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001038980844 786132502 /nfs/dbraw/zinc/13/25/02/786132502.db2.gz BYELKSHIWOWGQJ-HIFRSBDPSA-N 1 2 288.778 1.803 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001038980844 786132508 /nfs/dbraw/zinc/13/25/08/786132508.db2.gz BYELKSHIWOWGQJ-HIFRSBDPSA-N 1 2 288.778 1.803 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)onc1C1CC1 ZINC001032524377 786143524 /nfs/dbraw/zinc/14/35/24/786143524.db2.gz CUEAYVKGISETHN-STQMWFEESA-N 1 2 287.363 1.945 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)onc1C1CC1 ZINC001032524377 786143531 /nfs/dbraw/zinc/14/35/31/786143531.db2.gz CUEAYVKGISETHN-STQMWFEESA-N 1 2 287.363 1.945 20 30 CDEDLO Cc1nc(N(C)C2CCN(C(=O)[C@H](C)C#N)CC2)cc[nH+]1 ZINC001068653529 786158493 /nfs/dbraw/zinc/15/84/93/786158493.db2.gz LLSVCXDLQQGSDA-LLVKDONJSA-N 1 2 287.367 1.372 20 30 CDEDLO Cc1oncc1C[N@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC000980849311 786191261 /nfs/dbraw/zinc/19/12/61/786191261.db2.gz INFAPIFOAHJMEU-NSHDSACASA-N 1 2 276.340 1.177 20 30 CDEDLO Cc1oncc1C[N@@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC000980849311 786191265 /nfs/dbraw/zinc/19/12/65/786191265.db2.gz INFAPIFOAHJMEU-NSHDSACASA-N 1 2 276.340 1.177 20 30 CDEDLO N#Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)c[nH]1 ZINC000866120099 786191386 /nfs/dbraw/zinc/19/13/86/786191386.db2.gz RCTWCEUCQXLADW-LLVKDONJSA-N 1 2 264.304 1.050 20 30 CDEDLO N#Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)c[nH]1 ZINC000866120099 786191403 /nfs/dbraw/zinc/19/14/03/786191403.db2.gz RCTWCEUCQXLADW-LLVKDONJSA-N 1 2 264.304 1.050 20 30 CDEDLO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CC1(C#N)CC1 ZINC000797605373 786310383 /nfs/dbraw/zinc/31/03/83/786310383.db2.gz OCOREKLQXDEUJO-GFCCVEGCSA-N 1 2 278.377 1.742 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(OC)c1C ZINC001038747356 786346438 /nfs/dbraw/zinc/34/64/38/786346438.db2.gz JTXSJJATLJIZCQ-CQSZACIVSA-N 1 2 286.375 1.831 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(OC)c1C ZINC001038747356 786346449 /nfs/dbraw/zinc/34/64/49/786346449.db2.gz JTXSJJATLJIZCQ-CQSZACIVSA-N 1 2 286.375 1.831 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H]2CCCC[C@@]21C ZINC000884444677 786391300 /nfs/dbraw/zinc/39/13/00/786391300.db2.gz RRNRIAJDKXTPOB-HUBLWGQQSA-N 1 2 280.368 1.224 20 30 CDEDLO NC(=[NH+]OCC(=O)NCC1CCC1)c1ccccc1 ZINC000171728156 786434862 /nfs/dbraw/zinc/43/48/62/786434862.db2.gz JUKDHNRDBQZRKZ-UHFFFAOYSA-N 1 2 261.325 1.240 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnn(C)c2)[C@@H]1C ZINC000993037185 786515009 /nfs/dbraw/zinc/51/50/09/786515009.db2.gz NHVOTVPNQNGYLE-AAEUAGOBSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnn(C)c2)[C@@H]1C ZINC000993037185 786515031 /nfs/dbraw/zinc/51/50/31/786515031.db2.gz NHVOTVPNQNGYLE-AAEUAGOBSA-N 1 2 296.802 1.755 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccncc1 ZINC001017693677 786536781 /nfs/dbraw/zinc/53/67/81/786536781.db2.gz LONKDRQUZITJEL-IYBDPMFKSA-N 1 2 283.375 1.323 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccncc1 ZINC001017693677 786536783 /nfs/dbraw/zinc/53/67/83/786536783.db2.gz LONKDRQUZITJEL-IYBDPMFKSA-N 1 2 283.375 1.323 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000931401704 786804334 /nfs/dbraw/zinc/80/43/34/786804334.db2.gz MWVAHHIOCYWTQV-CHWSQXEVSA-N 1 2 254.374 1.426 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000931401704 786804337 /nfs/dbraw/zinc/80/43/37/786804337.db2.gz MWVAHHIOCYWTQV-CHWSQXEVSA-N 1 2 254.374 1.426 20 30 CDEDLO NC(CCO)=[NH+]OCc1csc(Cc2ccccc2)n1 ZINC000121327203 786853178 /nfs/dbraw/zinc/85/31/78/786853178.db2.gz XSMPDYVFLXNDEK-UHFFFAOYSA-N 1 2 291.376 1.905 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccc(C)o1 ZINC001032670392 786860890 /nfs/dbraw/zinc/86/08/90/786860890.db2.gz XJPDYTDEHGMITG-IHRRRGAJSA-N 1 2 272.348 1.610 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccc(C)o1 ZINC001032670392 786860891 /nfs/dbraw/zinc/86/08/91/786860891.db2.gz XJPDYTDEHGMITG-IHRRRGAJSA-N 1 2 272.348 1.610 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2OC)C1 ZINC000923579346 786880546 /nfs/dbraw/zinc/88/05/46/786880546.db2.gz RCJNIWFDCSVLAJ-LLVKDONJSA-N 1 2 278.377 1.584 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2OC)C1 ZINC000923579346 786880547 /nfs/dbraw/zinc/88/05/47/786880547.db2.gz RCJNIWFDCSVLAJ-LLVKDONJSA-N 1 2 278.377 1.584 20 30 CDEDLO C#CCNC(=O)[C@@H](C)Nc1ccc([NH+](C)C)cc1C ZINC000840771238 786882561 /nfs/dbraw/zinc/88/25/61/786882561.db2.gz VENNLHZFYMDRHR-GFCCVEGCSA-N 1 2 259.353 1.611 20 30 CDEDLO CC[C@H]1CC[N@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794630811 786891497 /nfs/dbraw/zinc/89/14/97/786891497.db2.gz JJSBXQVNZTWSMF-JTQLQIEISA-N 1 2 265.386 1.707 20 30 CDEDLO CC[C@H]1CC[N@@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794630811 786891502 /nfs/dbraw/zinc/89/15/02/786891502.db2.gz JJSBXQVNZTWSMF-JTQLQIEISA-N 1 2 265.386 1.707 20 30 CDEDLO CC(C)[C@H](C(=O)OCC(=O)c1ccc(C#N)cc1)[NH+](C)C ZINC000803492591 786975145 /nfs/dbraw/zinc/97/51/45/786975145.db2.gz DOHWQCODGIGRCC-OAHLLOKOSA-N 1 2 288.347 1.870 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cn3c(n2)CC[C@H](C)C3)C1 ZINC001030521993 786989294 /nfs/dbraw/zinc/98/92/94/786989294.db2.gz PLKAGCPOIZXOJT-LBPRGKRZSA-N 1 2 288.395 1.456 20 30 CDEDLO Cc1[nH+]cc(C=NN2C(=S)N=NC2C(C)C)n1C ZINC000853270983 787011345 /nfs/dbraw/zinc/01/13/45/787011345.db2.gz UHTYIWPIRGTLRR-UHFFFAOYSA-N 1 2 264.358 1.614 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2ccon2)[C@@H]1C ZINC000993162027 787077153 /nfs/dbraw/zinc/07/71/53/787077153.db2.gz UEFCFCISRBDMMO-AAEUAGOBSA-N 1 2 297.786 1.939 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccon2)[C@@H]1C ZINC000993162027 787077164 /nfs/dbraw/zinc/07/71/64/787077164.db2.gz UEFCFCISRBDMMO-AAEUAGOBSA-N 1 2 297.786 1.939 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCCN2C(=O)C(C)C)C1 ZINC001031405748 787078950 /nfs/dbraw/zinc/07/89/50/787078950.db2.gz MARMXEZSHXMOMO-CQSZACIVSA-N 1 2 293.411 1.010 20 30 CDEDLO C#CC1(F)CN(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)C1 ZINC000883803443 787130897 /nfs/dbraw/zinc/13/08/97/787130897.db2.gz FRRDVUJHMHOGJW-AWEZNQCLSA-N 1 2 287.338 1.540 20 30 CDEDLO C#CC1(F)CN(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)C1 ZINC000883803443 787130911 /nfs/dbraw/zinc/13/09/11/787130911.db2.gz FRRDVUJHMHOGJW-AWEZNQCLSA-N 1 2 287.338 1.540 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2cnc(CC(C)C)[nH]2)C1 ZINC001033077893 787141755 /nfs/dbraw/zinc/14/17/55/787141755.db2.gz VAFUVRUCUQRKAR-ZDUSSCGKSA-N 1 2 288.395 1.388 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnc(CC(C)C)[nH]2)C1 ZINC001033077893 787141777 /nfs/dbraw/zinc/14/17/77/787141777.db2.gz VAFUVRUCUQRKAR-ZDUSSCGKSA-N 1 2 288.395 1.388 20 30 CDEDLO C#CCC1(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CCC1 ZINC000886794391 787275512 /nfs/dbraw/zinc/27/55/12/787275512.db2.gz PXONSFWACKGAQD-UHFFFAOYSA-N 1 2 280.331 1.943 20 30 CDEDLO CCS(=O)(=O)CC[N@H+](C)CCc1ccc(C#N)cc1 ZINC000851871596 787308938 /nfs/dbraw/zinc/30/89/38/787308938.db2.gz RZWZFMVUASCQDF-UHFFFAOYSA-N 1 2 280.393 1.467 20 30 CDEDLO CCS(=O)(=O)CC[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000851871596 787308943 /nfs/dbraw/zinc/30/89/43/787308943.db2.gz RZWZFMVUASCQDF-UHFFFAOYSA-N 1 2 280.393 1.467 20 30 CDEDLO C=C(C)C[C@H](NC(=O)CCCn1cc[nH+]c1)C(=O)OCC ZINC000881750055 787368453 /nfs/dbraw/zinc/36/84/53/787368453.db2.gz CBOHCCWKBVTASE-ZDUSSCGKSA-N 1 2 293.367 1.677 20 30 CDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C#CC2CC2)CC1 ZINC001004430588 787378247 /nfs/dbraw/zinc/37/82/47/787378247.db2.gz SSXOEZRYPLAZRG-MRXNPFEDSA-N 1 2 285.391 1.626 20 30 CDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C#CC2CC2)CC1 ZINC001004430588 787378254 /nfs/dbraw/zinc/37/82/54/787378254.db2.gz SSXOEZRYPLAZRG-MRXNPFEDSA-N 1 2 285.391 1.626 20 30 CDEDLO C#CC[C@H]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000888040226 787446275 /nfs/dbraw/zinc/44/62/75/787446275.db2.gz HSWITHLYUILSTQ-AWEZNQCLSA-N 1 2 293.411 1.152 20 30 CDEDLO C#CC[C@H]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000888040226 787446305 /nfs/dbraw/zinc/44/63/05/787446305.db2.gz HSWITHLYUILSTQ-AWEZNQCLSA-N 1 2 293.411 1.152 20 30 CDEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCO[C@H](C(=O)C3CC3)C2)CCC1 ZINC000886141170 787584991 /nfs/dbraw/zinc/58/49/91/787584991.db2.gz YWZBVFHYTCNOOZ-KGLIPLIRSA-N 1 2 292.379 1.111 20 30 CDEDLO N#CC1(C[C@@H](O)C[N@H+]2CCO[C@H](C(=O)C3CC3)C2)CCC1 ZINC000886141170 787585011 /nfs/dbraw/zinc/58/50/11/787585011.db2.gz YWZBVFHYTCNOOZ-KGLIPLIRSA-N 1 2 292.379 1.111 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC2(F)F)C1 ZINC001035359521 787643066 /nfs/dbraw/zinc/64/30/66/787643066.db2.gz UAFCEWJHGNBHNG-WDEREUQCSA-N 1 2 274.311 1.035 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC2(F)F)C1 ZINC001035359521 787643075 /nfs/dbraw/zinc/64/30/75/787643075.db2.gz UAFCEWJHGNBHNG-WDEREUQCSA-N 1 2 274.311 1.035 20 30 CDEDLO C#Cc1cccc(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000837105419 787655311 /nfs/dbraw/zinc/65/53/11/787655311.db2.gz NMWUCDMICLXDPK-HNNXBMFYSA-N 1 2 279.343 1.743 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cn[nH]c2)CC[C@@H]1C ZINC001071368673 787807063 /nfs/dbraw/zinc/80/70/63/787807063.db2.gz GEPAQVJUXQVPCE-CMPLNLGQSA-N 1 2 282.775 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cn[nH]c2)CC[C@@H]1C ZINC001071368673 787807066 /nfs/dbraw/zinc/80/70/66/787807066.db2.gz GEPAQVJUXQVPCE-CMPLNLGQSA-N 1 2 282.775 1.745 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001032669080 787808817 /nfs/dbraw/zinc/80/88/17/787808817.db2.gz WBQBWJMWLRPHPX-GCDKYVQMSA-N 1 2 292.382 1.491 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001032669080 787808818 /nfs/dbraw/zinc/80/88/18/787808818.db2.gz WBQBWJMWLRPHPX-GCDKYVQMSA-N 1 2 292.382 1.491 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc3nncn3c2)C1 ZINC001044046638 787812032 /nfs/dbraw/zinc/81/20/32/787812032.db2.gz SNZPXTNXRYKXKA-UHFFFAOYSA-N 1 2 285.351 1.062 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1CC ZINC001051039965 787820495 /nfs/dbraw/zinc/82/04/95/787820495.db2.gz MJZGJLGZEAPFPV-KFWWJZLASA-N 1 2 296.411 1.195 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1CC ZINC001051039965 787820503 /nfs/dbraw/zinc/82/05/03/787820503.db2.gz MJZGJLGZEAPFPV-KFWWJZLASA-N 1 2 296.411 1.195 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NCCCCC#N ZINC000875236701 787822527 /nfs/dbraw/zinc/82/25/27/787822527.db2.gz YEGAFOYSVUUHIZ-ZDUSSCGKSA-N 1 2 282.388 1.090 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)NCCCCC#N ZINC000875236701 787822528 /nfs/dbraw/zinc/82/25/28/787822528.db2.gz YEGAFOYSVUUHIZ-ZDUSSCGKSA-N 1 2 282.388 1.090 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2C(=O)Nc3ccccc32)C1 ZINC001031473653 787822802 /nfs/dbraw/zinc/82/28/02/787822802.db2.gz FKTUPDFEVQZYQX-CYBMUJFWSA-N 1 2 285.347 1.099 20 30 CDEDLO C=C(C)C[N@H+](C)CN1C(=O)NC2(CCCCC2)C1=O ZINC000182623514 787877343 /nfs/dbraw/zinc/87/73/43/787877343.db2.gz KNYJNWPAADXUNM-UHFFFAOYSA-N 1 2 265.357 1.707 20 30 CDEDLO C=C(C)C[N@@H+](C)CN1C(=O)NC2(CCCCC2)C1=O ZINC000182623514 787877348 /nfs/dbraw/zinc/87/73/48/787877348.db2.gz KNYJNWPAADXUNM-UHFFFAOYSA-N 1 2 265.357 1.707 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC23CCCC3)C1 ZINC001035563783 787880156 /nfs/dbraw/zinc/88/01/56/787880156.db2.gz LBJUZRDRVODMHX-GJZGRUSLSA-N 1 2 292.423 1.960 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC23CCCC3)C1 ZINC001035563783 787880157 /nfs/dbraw/zinc/88/01/57/787880157.db2.gz LBJUZRDRVODMHX-GJZGRUSLSA-N 1 2 292.423 1.960 20 30 CDEDLO C#CCCN(CCOC)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000856387503 787881210 /nfs/dbraw/zinc/88/12/10/787881210.db2.gz JABSISQVDCIYBO-UHFFFAOYSA-N 1 2 299.374 1.684 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(C)n1 ZINC001017416145 787892071 /nfs/dbraw/zinc/89/20/71/787892071.db2.gz UJYGMROJLIZZNE-BETUJISGSA-N 1 2 272.352 1.030 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(C)n1 ZINC001017416145 787892072 /nfs/dbraw/zinc/89/20/72/787892072.db2.gz UJYGMROJLIZZNE-BETUJISGSA-N 1 2 272.352 1.030 20 30 CDEDLO C=CC[N@H+](CN1CCN(Cc2cccnc2)C1=O)C1CC1 ZINC000840041192 787962085 /nfs/dbraw/zinc/96/20/85/787962085.db2.gz HFVPVJNIGVTRCE-UHFFFAOYSA-N 1 2 286.379 1.927 20 30 CDEDLO C=CC[N@@H+](CN1CCN(Cc2cccnc2)C1=O)C1CC1 ZINC000840041192 787962116 /nfs/dbraw/zinc/96/21/16/787962116.db2.gz HFVPVJNIGVTRCE-UHFFFAOYSA-N 1 2 286.379 1.927 20 30 CDEDLO C#CCOCCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000851724257 787969779 /nfs/dbraw/zinc/96/97/79/787969779.db2.gz SNSRZFFEUVNHOD-RMKNXTFCSA-N 1 2 284.403 1.967 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCCN2C(=O)CCC)C1 ZINC001044328436 787983331 /nfs/dbraw/zinc/98/33/31/787983331.db2.gz ZICQAYFFRQENPC-CQSZACIVSA-N 1 2 293.411 1.106 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1-n1cccc1 ZINC001038666942 787999246 /nfs/dbraw/zinc/99/92/46/787999246.db2.gz QPUQMYPIJYQZOH-OAHLLOKOSA-N 1 2 293.370 1.915 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1-n1cccc1 ZINC001038666942 787999284 /nfs/dbraw/zinc/99/92/84/787999284.db2.gz QPUQMYPIJYQZOH-OAHLLOKOSA-N 1 2 293.370 1.915 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccncn2)[C@@H]1C ZINC000994017681 788008423 /nfs/dbraw/zinc/00/84/23/788008423.db2.gz FPDCVWJQFZHJEJ-RYUDHWBXSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccncn2)[C@@H]1C ZINC000994017681 788008430 /nfs/dbraw/zinc/00/84/30/788008430.db2.gz FPDCVWJQFZHJEJ-RYUDHWBXSA-N 1 2 294.786 1.812 20 30 CDEDLO C#CCO[C@H](C)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000822224699 788039869 /nfs/dbraw/zinc/03/98/69/788039869.db2.gz WCYSRFRRPUXSFC-CYBMUJFWSA-N 1 2 292.404 1.431 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2[nH]cnc2C)C1 ZINC001046878436 788040360 /nfs/dbraw/zinc/04/03/60/788040360.db2.gz FZIYVTRDDHDHCP-CYBMUJFWSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2[nH]cnc2C)C1 ZINC001046878436 788040367 /nfs/dbraw/zinc/04/03/67/788040367.db2.gz FZIYVTRDDHDHCP-CYBMUJFWSA-N 1 2 282.775 1.665 20 30 CDEDLO CC(C)(CCC#N)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868360502 788051419 /nfs/dbraw/zinc/05/14/19/788051419.db2.gz XDFBDDJRRNVTSZ-HYXAFXHYSA-N 1 2 279.384 1.321 20 30 CDEDLO N#Cc1cc(C(=O)OCCn2cc[nH+]c2)ccc1F ZINC000792323400 788058841 /nfs/dbraw/zinc/05/88/41/788058841.db2.gz GUBRGUYCZXUDNY-UHFFFAOYSA-N 1 2 259.240 1.751 20 30 CDEDLO C=C(C)CONC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000845606847 788068835 /nfs/dbraw/zinc/06/88/35/788068835.db2.gz KBWWALSQDGHJMZ-LBPRGKRZSA-N 1 2 278.356 1.817 20 30 CDEDLO CCCC[C@@H]1NC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853523964 788088565 /nfs/dbraw/zinc/08/85/65/788088565.db2.gz JWEJXYJERYLJIR-STQMWFEESA-N 1 2 292.383 1.680 20 30 CDEDLO CCCC[C@@H]1NC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853523964 788088568 /nfs/dbraw/zinc/08/85/68/788088568.db2.gz JWEJXYJERYLJIR-STQMWFEESA-N 1 2 292.383 1.680 20 30 CDEDLO Cc1nc(NC2(C)CCN(C(=O)C#CC3CC3)CC2)cc[nH+]1 ZINC001067260423 788153139 /nfs/dbraw/zinc/15/31/39/788153139.db2.gz IRGDVVVZOAYWST-UHFFFAOYSA-N 1 2 298.390 1.991 20 30 CDEDLO CCc1nnc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)o1 ZINC000158175570 788154227 /nfs/dbraw/zinc/15/42/27/788154227.db2.gz ZNJKVFMPHTUUCC-UHFFFAOYSA-N 1 2 288.307 1.404 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C(F)F)CCCC1 ZINC001032586444 788167676 /nfs/dbraw/zinc/16/76/76/788167676.db2.gz WBQKKXDSSZOYJZ-RYUDHWBXSA-N 1 2 282.334 1.730 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C(F)F)CCCC1 ZINC001032586444 788167698 /nfs/dbraw/zinc/16/76/98/788167698.db2.gz WBQKKXDSSZOYJZ-RYUDHWBXSA-N 1 2 282.334 1.730 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2cc(C)ccn21 ZINC001038302311 788282717 /nfs/dbraw/zinc/28/27/17/788282717.db2.gz XRIOZCOUIUFCPB-CYBMUJFWSA-N 1 2 282.347 1.080 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2cc(C)ccn21 ZINC001038302311 788282724 /nfs/dbraw/zinc/28/27/24/788282724.db2.gz XRIOZCOUIUFCPB-CYBMUJFWSA-N 1 2 282.347 1.080 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](Nc2nc(COC)ns2)C1 ZINC000884612581 788315489 /nfs/dbraw/zinc/31/54/89/788315489.db2.gz OXWAYBSGAFYAQB-SNVBAGLBSA-N 1 2 266.370 1.194 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](Nc2nc(COC)ns2)C1 ZINC000884612581 788315497 /nfs/dbraw/zinc/31/54/97/788315497.db2.gz OXWAYBSGAFYAQB-SNVBAGLBSA-N 1 2 266.370 1.194 20 30 CDEDLO O=C(C#CC1CC1)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000870135158 788333714 /nfs/dbraw/zinc/33/37/14/788333714.db2.gz ZZXUCBKFYVFUIY-UHFFFAOYSA-N 1 2 284.359 1.450 20 30 CDEDLO COc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1C#N ZINC000830413440 788353583 /nfs/dbraw/zinc/35/35/83/788353583.db2.gz RCPJZNAMKZTLGI-NSHDSACASA-N 1 2 296.330 1.964 20 30 CDEDLO C#CCOCCNc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000827900679 788397759 /nfs/dbraw/zinc/39/77/59/788397759.db2.gz RLDHXNKPHFSRQR-UHFFFAOYSA-N 1 2 270.336 1.758 20 30 CDEDLO CN(C)c1ncc(C=[NH+]OC2CCOCC2)cn1 ZINC000814906504 788413611 /nfs/dbraw/zinc/41/36/11/788413611.db2.gz XRKHOECYXMGXSO-UHFFFAOYSA-N 1 2 250.302 1.072 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc[nH]c1 ZINC001054041384 788581321 /nfs/dbraw/zinc/58/13/21/788581321.db2.gz JSIAOTDTSMFRLO-KRWDZBQOSA-N 1 2 293.370 1.805 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc[nH]c1 ZINC001054041384 788581343 /nfs/dbraw/zinc/58/13/43/788581343.db2.gz JSIAOTDTSMFRLO-KRWDZBQOSA-N 1 2 293.370 1.805 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1[C@H](CC)CCC[C@@H]1C ZINC000884417498 788623937 /nfs/dbraw/zinc/62/39/37/788623937.db2.gz JJYDQIXHDYOZDQ-XQQFMLRXSA-N 1 2 282.384 1.613 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2ncoc2C(C)(C)C)C1 ZINC001031222046 788652910 /nfs/dbraw/zinc/65/29/10/788652910.db2.gz ILRJSUGJFYCHEG-UHFFFAOYSA-N 1 2 277.368 1.962 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+](CCF)CC2)cn1 ZINC000989511076 788772702 /nfs/dbraw/zinc/77/27/02/788772702.db2.gz LJVSATOGGZRDHG-UHFFFAOYSA-N 1 2 275.327 1.180 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCC[N@H+](CCF)CC2)cn1 ZINC000989511076 788772715 /nfs/dbraw/zinc/77/27/15/788772715.db2.gz LJVSATOGGZRDHG-UHFFFAOYSA-N 1 2 275.327 1.180 20 30 CDEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1ccc(Cl)cn1 ZINC000852751607 788827394 /nfs/dbraw/zinc/82/73/94/788827394.db2.gz BJAINEYUGAUWSE-UHFFFAOYSA-N 1 2 295.770 1.645 20 30 CDEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1ccc(Cl)cn1 ZINC000852751607 788827395 /nfs/dbraw/zinc/82/73/95/788827395.db2.gz BJAINEYUGAUWSE-UHFFFAOYSA-N 1 2 295.770 1.645 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C)nc1C ZINC001027796595 788849786 /nfs/dbraw/zinc/84/97/86/788849786.db2.gz JCGMSQBJZKSKJS-GFCCVEGCSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C)nc1C ZINC001027796595 788849792 /nfs/dbraw/zinc/84/97/92/788849792.db2.gz JCGMSQBJZKSKJS-GFCCVEGCSA-N 1 2 296.802 1.675 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C=CCC1 ZINC001017340557 788861475 /nfs/dbraw/zinc/86/14/75/788861475.db2.gz MGRLESWYKOUEDN-KFWWJZLASA-N 1 2 258.365 1.651 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C=CCC1 ZINC001017340557 788861476 /nfs/dbraw/zinc/86/14/76/788861476.db2.gz MGRLESWYKOUEDN-KFWWJZLASA-N 1 2 258.365 1.651 20 30 CDEDLO CC[N@H+](CCS(C)(=O)=O)Cc1ccc(C#N)cc1 ZINC000123215137 788887845 /nfs/dbraw/zinc/88/78/45/788887845.db2.gz DJTUIZYHYTVYPG-UHFFFAOYSA-N 1 2 266.366 1.425 20 30 CDEDLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccc(C#N)cc1 ZINC000123215137 788887849 /nfs/dbraw/zinc/88/78/49/788887849.db2.gz DJTUIZYHYTVYPG-UHFFFAOYSA-N 1 2 266.366 1.425 20 30 CDEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cocn3)C[C@H]21 ZINC001074189990 788893699 /nfs/dbraw/zinc/89/36/99/788893699.db2.gz KWBYPUPWCJOECH-ZIAGYGMSSA-N 1 2 291.351 1.166 20 30 CDEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cocn3)C[C@H]21 ZINC001074189990 788893700 /nfs/dbraw/zinc/89/37/00/788893700.db2.gz KWBYPUPWCJOECH-ZIAGYGMSSA-N 1 2 291.351 1.166 20 30 CDEDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@H+](CCCC#N)C1 ZINC000879763048 788972745 /nfs/dbraw/zinc/97/27/45/788972745.db2.gz LYTDGPCTNMUMAJ-JTQLQIEISA-N 1 2 263.263 1.433 20 30 CDEDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@@H+](CCCC#N)C1 ZINC000879763048 788972770 /nfs/dbraw/zinc/97/27/70/788972770.db2.gz LYTDGPCTNMUMAJ-JTQLQIEISA-N 1 2 263.263 1.433 20 30 CDEDLO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nc(N)nc(Cl)n1 ZINC000852103381 789106971 /nfs/dbraw/zinc/10/69/71/789106971.db2.gz FZYBZIYROTZJJS-WRWORJQWSA-N 1 2 253.737 1.560 20 30 CDEDLO Cc1nc(NC[C@@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001068324483 789157032 /nfs/dbraw/zinc/15/70/32/789157032.db2.gz VLGDVZWHBMHJHT-DOMZBBRYSA-N 1 2 298.390 1.847 20 30 CDEDLO N#CCN1CC=C(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001000839915 789206195 /nfs/dbraw/zinc/20/61/95/789206195.db2.gz BXANSWURTXMSIT-UHFFFAOYSA-N 1 2 295.346 1.448 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc(C)on1 ZINC001017422449 789313399 /nfs/dbraw/zinc/31/33/99/789313399.db2.gz RKDFPBWURBTLNC-GASCZTMLSA-N 1 2 287.363 1.224 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc(C)on1 ZINC001017422449 789313410 /nfs/dbraw/zinc/31/34/10/789313410.db2.gz RKDFPBWURBTLNC-GASCZTMLSA-N 1 2 287.363 1.224 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC[C@@H](OC)C2)C1 ZINC001030555345 789333259 /nfs/dbraw/zinc/33/32/59/789333259.db2.gz LJWSGIGORVZHKJ-WCQYABFASA-N 1 2 252.358 1.178 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccc(C)o1 ZINC001018302131 789347490 /nfs/dbraw/zinc/34/74/90/789347490.db2.gz XWEJCDHFZIDTQM-GASCZTMLSA-N 1 2 286.375 1.829 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccc(C)o1 ZINC001018302131 789347504 /nfs/dbraw/zinc/34/75/04/789347504.db2.gz XWEJCDHFZIDTQM-GASCZTMLSA-N 1 2 286.375 1.829 20 30 CDEDLO CC1(C)OCC[C@H]1NN=Cc1cccc2[nH+]ccn21 ZINC000835016990 789347961 /nfs/dbraw/zinc/34/79/61/789347961.db2.gz JHWYEXFYGMBESP-GFCCVEGCSA-N 1 2 258.325 1.825 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1occ2c1CCOC2 ZINC001032541752 789358045 /nfs/dbraw/zinc/35/80/45/789358045.db2.gz FMVJUYFYFBRRAY-STQMWFEESA-N 1 2 288.347 1.437 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1occ2c1CCOC2 ZINC001032541752 789358052 /nfs/dbraw/zinc/35/80/52/789358052.db2.gz FMVJUYFYFBRRAY-STQMWFEESA-N 1 2 288.347 1.437 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1scnc1COC ZINC001028189017 789368738 /nfs/dbraw/zinc/36/87/38/789368738.db2.gz NUNINEPFHPRUHY-NSHDSACASA-N 1 2 293.392 1.117 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1scnc1COC ZINC001028189017 789368747 /nfs/dbraw/zinc/36/87/47/789368747.db2.gz NUNINEPFHPRUHY-NSHDSACASA-N 1 2 293.392 1.117 20 30 CDEDLO C#CC1(F)CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000881937805 789392873 /nfs/dbraw/zinc/39/28/73/789392873.db2.gz PRLFZIJRFNHPDX-UHFFFAOYSA-N 1 2 257.268 1.440 20 30 CDEDLO C#C[C@H](CCC)NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000820660812 789399899 /nfs/dbraw/zinc/39/98/99/789399899.db2.gz MCAJNKRTPXKDDK-ZIAGYGMSSA-N 1 2 281.400 1.150 20 30 CDEDLO CC1CCN(C(=O)CO[NH+]=C(N)c2ccc(F)cc2)CC1 ZINC000198441974 789436399 /nfs/dbraw/zinc/43/63/99/789436399.db2.gz IXQKHBGTWXIRNX-UHFFFAOYSA-N 1 2 293.342 1.721 20 30 CDEDLO C#CCOCC[NH2+]C1(c2noc(C)n2)CCCCC1 ZINC000851824604 789465353 /nfs/dbraw/zinc/46/53/53/789465353.db2.gz JBRVAMMCGYJEEL-UHFFFAOYSA-N 1 2 263.341 1.777 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccccc2CC)C1 ZINC001030513042 789497495 /nfs/dbraw/zinc/49/74/95/789497495.db2.gz RVEHYJKQNSOTBP-UHFFFAOYSA-N 1 2 270.376 1.615 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(CC)n1 ZINC001038349098 789499385 /nfs/dbraw/zinc/49/93/85/789499385.db2.gz KSMXJSLXJIKKKR-AWEZNQCLSA-N 1 2 271.364 1.471 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(CC)n1 ZINC001038349098 789499427 /nfs/dbraw/zinc/49/94/27/789499427.db2.gz KSMXJSLXJIKKKR-AWEZNQCLSA-N 1 2 271.364 1.471 20 30 CDEDLO Cc1ncc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)o1 ZINC000882986027 789508491 /nfs/dbraw/zinc/50/84/91/789508491.db2.gz BFVQTHDSOXZCHK-UHFFFAOYSA-N 1 2 273.292 1.755 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3ccccc3c2)C1 ZINC001031012650 789587686 /nfs/dbraw/zinc/58/76/86/789587686.db2.gz BOFDIIWOHKCAFK-UHFFFAOYSA-N 1 2 279.343 1.672 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cn2ncc3cccnc32)C1 ZINC001043379259 789592185 /nfs/dbraw/zinc/59/21/85/789592185.db2.gz HEPAMNIQAOYFGO-UHFFFAOYSA-N 1 2 299.378 1.150 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCCO[C@@H](C)C#N)cc1OC ZINC000802729852 789595538 /nfs/dbraw/zinc/59/55/38/789595538.db2.gz RUEKUQUHDFOEAY-JTQLQIEISA-N 1 2 293.323 1.479 20 30 CDEDLO CC(C)CON=C(N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181842183 789684013 /nfs/dbraw/zinc/68/40/13/789684013.db2.gz VSLNEKHTAYCBIM-OAHLLOKOSA-N 1 2 291.395 1.832 20 30 CDEDLO CC(C)CON=C(N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181842183 789684025 /nfs/dbraw/zinc/68/40/25/789684025.db2.gz VSLNEKHTAYCBIM-OAHLLOKOSA-N 1 2 291.395 1.832 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2cccc(NC(C)=O)c2)C1 ZINC001031289279 789719524 /nfs/dbraw/zinc/71/95/24/789719524.db2.gz VZFZLPLSINHSHB-UHFFFAOYSA-N 1 2 287.363 1.174 20 30 CDEDLO C=CC[N@H+](CN1C[C@]2(CCOC2)CC1=O)[C@@H](C)COC ZINC000853534618 789724383 /nfs/dbraw/zinc/72/43/83/789724383.db2.gz KTYNPKRNQBELOH-ZFWWWQNUSA-N 1 2 282.384 1.106 20 30 CDEDLO C=CC[N@@H+](CN1C[C@]2(CCOC2)CC1=O)[C@@H](C)COC ZINC000853534618 789724391 /nfs/dbraw/zinc/72/43/91/789724391.db2.gz KTYNPKRNQBELOH-ZFWWWQNUSA-N 1 2 282.384 1.106 20 30 CDEDLO C=C1CCC(C(=O)NC2C[NH+](C[C@@H](C)OC)C2)CC1 ZINC001030899915 789792977 /nfs/dbraw/zinc/79/29/77/789792977.db2.gz JUCMEANXSVQUPE-GFCCVEGCSA-N 1 2 266.385 1.568 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2nc[nH]c21 ZINC001017932666 789801466 /nfs/dbraw/zinc/80/14/66/789801466.db2.gz KFXNQXTWFXCDJZ-MJBXVCDLSA-N 1 2 298.390 1.138 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2nc[nH]c21 ZINC001017932666 789801468 /nfs/dbraw/zinc/80/14/68/789801468.db2.gz KFXNQXTWFXCDJZ-MJBXVCDLSA-N 1 2 298.390 1.138 20 30 CDEDLO C=CC(C)(C)CC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000884649522 789832374 /nfs/dbraw/zinc/83/23/74/789832374.db2.gz GKPACDCYNWTYTI-LBPRGKRZSA-N 1 2 255.358 1.853 20 30 CDEDLO C=CC(C)(C)CC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000884649522 789832376 /nfs/dbraw/zinc/83/23/76/789832376.db2.gz GKPACDCYNWTYTI-LBPRGKRZSA-N 1 2 255.358 1.853 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@@H]1CCCO1 ZINC001406074596 976005746 /nfs/dbraw/zinc/00/57/46/976005746.db2.gz YYOBSMIORDYOBK-LBPRGKRZSA-N 1 2 274.792 1.698 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@@H]1CCCO1 ZINC001406074596 976005759 /nfs/dbraw/zinc/00/57/59/976005759.db2.gz YYOBSMIORDYOBK-LBPRGKRZSA-N 1 2 274.792 1.698 20 30 CDEDLO Cc1cc(C)c(C#N)c(N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)n1 ZINC001646639374 1168009835 /nfs/dbraw/zinc/00/98/35/1168009835.db2.gz YRSGUIJPEDTRPF-DZGCQCFKSA-N 1 2 287.411 1.616 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc3[nH]nnc3c2)[C@H]1C ZINC001089033325 912514481 /nfs/dbraw/zinc/51/44/81/912514481.db2.gz MBJPHBSZXHEBOC-YPMHNXCESA-N 1 2 299.378 1.727 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc3[nH]nnc3c2)[C@H]1C ZINC001089033325 912514494 /nfs/dbraw/zinc/51/44/94/912514494.db2.gz MBJPHBSZXHEBOC-YPMHNXCESA-N 1 2 299.378 1.727 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@@H]1CCc2cc(F)ccc2C1 ZINC001168425193 912547061 /nfs/dbraw/zinc/54/70/61/912547061.db2.gz COLWEMOJPXAMMA-HUUCEWRRSA-N 1 2 259.328 1.480 20 30 CDEDLO CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](CS)C(=O)OC)C1 ZINC001173619398 912652828 /nfs/dbraw/zinc/65/28/28/912652828.db2.gz ARGWPESNOOUSTE-VWYCJHECSA-N 1 2 289.397 1.169 20 30 CDEDLO C[C@H](CC(=O)[C@@H](C#N)c1nccn1C)n1cc[nH+]c1 ZINC001122517581 913793261 /nfs/dbraw/zinc/79/32/61/913793261.db2.gz FNIWLDNFFJZWNS-GHMZBOCLSA-N 1 2 257.297 1.444 20 30 CDEDLO CC(C)[C@@](C)(Nc1cc(C2(C#N)CC2)cc[nH+]1)C(N)=O ZINC001167410956 895581475 /nfs/dbraw/zinc/58/14/75/895581475.db2.gz MAHASEIKILIFNX-CQSZACIVSA-N 1 2 272.352 1.949 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1c(C)cc(C)[nH]c1=O ZINC001418485259 896984889 /nfs/dbraw/zinc/98/48/89/896984889.db2.gz VIROQWWVTOKUKH-UHFFFAOYSA-N 1 2 297.786 1.818 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1c(C)cc(C)[nH]c1=O ZINC001418485259 896984896 /nfs/dbraw/zinc/98/48/96/896984896.db2.gz VIROQWWVTOKUKH-UHFFFAOYSA-N 1 2 297.786 1.818 20 30 CDEDLO C[C@H](CNc1ccc(C#N)cn1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001104650760 898842514 /nfs/dbraw/zinc/84/25/14/898842514.db2.gz YXGFZEBTFPAOIZ-LLVKDONJSA-N 1 2 298.350 1.178 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)CN2Cc3ccccc3C2=O)C1 ZINC001031277751 914326337 /nfs/dbraw/zinc/32/63/37/914326337.db2.gz UZPKZBLQQAIMJF-UHFFFAOYSA-N 1 2 299.374 1.019 20 30 CDEDLO C=CCn1cc(C[N@H+]2CCCC[C@H]2C(=O)NCCC)cn1 ZINC001139770273 901681701 /nfs/dbraw/zinc/68/17/01/901681701.db2.gz JVEGUXDSENIBLF-HNNXBMFYSA-N 1 2 290.411 1.950 20 30 CDEDLO C=CCn1cc(C[N@@H+]2CCCC[C@H]2C(=O)NCCC)cn1 ZINC001139770273 901681710 /nfs/dbraw/zinc/68/17/10/901681710.db2.gz JVEGUXDSENIBLF-HNNXBMFYSA-N 1 2 290.411 1.950 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc(CC#N)cc2)C[N@@H+]1C ZINC001225266974 902584863 /nfs/dbraw/zinc/58/48/63/902584863.db2.gz ORHIMYCFEJZAIF-KGLIPLIRSA-N 1 2 274.320 1.377 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc(CC#N)cc2)C[N@H+]1C ZINC001225266974 902584876 /nfs/dbraw/zinc/58/48/76/902584876.db2.gz ORHIMYCFEJZAIF-KGLIPLIRSA-N 1 2 274.320 1.377 20 30 CDEDLO C=CC(=O)OC[C@@H](COC(=O)C(=C)C)Oc1cc[nH+]cc1 ZINC001225291005 902687048 /nfs/dbraw/zinc/68/70/48/902687048.db2.gz NOEQWCUQSNSFDK-ZDUSSCGKSA-N 1 2 291.303 1.678 20 30 CDEDLO C=CC[C@@H](C)C(=O)N1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001268968492 903284412 /nfs/dbraw/zinc/28/44/12/903284412.db2.gz REVFFYGWWUQTBY-GFCCVEGCSA-N 1 2 274.368 1.266 20 30 CDEDLO C=CC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn[nH]c1 ZINC001268967667 903289312 /nfs/dbraw/zinc/28/93/12/903289312.db2.gz BIBUQFUBFHPGIX-YUELXQCFSA-N 1 2 288.395 1.797 20 30 CDEDLO C=CC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn[nH]c1 ZINC001268967667 903289328 /nfs/dbraw/zinc/28/93/28/903289328.db2.gz BIBUQFUBFHPGIX-YUELXQCFSA-N 1 2 288.395 1.797 20 30 CDEDLO C=CCOCCC(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001268990194 903306193 /nfs/dbraw/zinc/30/61/93/903306193.db2.gz JAAVYFBQMKVHDT-UHFFFAOYSA-N 1 2 289.379 1.252 20 30 CDEDLO CCC(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001567822362 1168995864 /nfs/dbraw/zinc/99/58/64/1168995864.db2.gz KJVCBAQGCPDKIN-UHFFFAOYSA-N 1 2 257.337 1.516 20 30 CDEDLO CO[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1NC(=O)C#CC(C)C ZINC001212241571 914777686 /nfs/dbraw/zinc/77/76/86/914777686.db2.gz SWSIAJNAASEQBG-PWNWJAOYSA-N 1 2 284.787 1.214 20 30 CDEDLO CO[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1NC(=O)C#CC(C)C ZINC001212241571 914777689 /nfs/dbraw/zinc/77/76/89/914777689.db2.gz SWSIAJNAASEQBG-PWNWJAOYSA-N 1 2 284.787 1.214 20 30 CDEDLO N#Cc1cc(CC(=O)Nc2cccc3[nH+]ccn32)ccn1 ZINC001177662365 914836763 /nfs/dbraw/zinc/83/67/63/914836763.db2.gz HFMSSQKXTHMLIW-UHFFFAOYSA-N 1 2 277.287 1.782 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc(F)n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226191048 905031736 /nfs/dbraw/zinc/03/17/36/905031736.db2.gz VWTZGOYQIVGWAI-UHSPONAGSA-N 1 2 250.273 1.212 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc(F)n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226191048 905031755 /nfs/dbraw/zinc/03/17/55/905031755.db2.gz VWTZGOYQIVGWAI-UHSPONAGSA-N 1 2 250.273 1.212 20 30 CDEDLO N#CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cn[nH]c2)CCC1 ZINC001271112200 905658447 /nfs/dbraw/zinc/65/84/47/905658447.db2.gz LTCZBLKVHFLJLA-OKILXGFUSA-N 1 2 299.378 1.279 20 30 CDEDLO N#CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cn[nH]c2)CCC1 ZINC001271112200 905658455 /nfs/dbraw/zinc/65/84/55/905658455.db2.gz LTCZBLKVHFLJLA-OKILXGFUSA-N 1 2 299.378 1.279 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC2CC2)[C@H](O)C1 ZINC001090007959 921318435 /nfs/dbraw/zinc/31/84/35/921318435.db2.gz AKDLCIIKKBDCEE-VXGBXAGGSA-N 1 2 272.776 1.090 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC2CC2)[C@H](O)C1 ZINC001090007959 921318444 /nfs/dbraw/zinc/31/84/44/921318444.db2.gz AKDLCIIKKBDCEE-VXGBXAGGSA-N 1 2 272.776 1.090 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]c2)[C@H]1C ZINC001088478509 907409047 /nfs/dbraw/zinc/40/90/47/907409047.db2.gz FIHSLQUTPFVXMT-KOLCDFICSA-N 1 2 268.748 1.355 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2)[C@H]1C ZINC001088478509 907409056 /nfs/dbraw/zinc/40/90/56/907409056.db2.gz FIHSLQUTPFVXMT-KOLCDFICSA-N 1 2 268.748 1.355 20 30 CDEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)CC1CC1)c1nccn12 ZINC001092343373 909380913 /nfs/dbraw/zinc/38/09/13/909380913.db2.gz CJWHLYZWIOMLMA-AWEZNQCLSA-N 1 2 298.390 1.278 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc[nH]c1)c1nccn12 ZINC001092370403 909388089 /nfs/dbraw/zinc/38/80/89/909388089.db2.gz OGXQMOHUCBLLNF-CYBMUJFWSA-N 1 2 297.362 1.283 20 30 CDEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2occc2CN(C)C)[C@H]1C ZINC001088822821 909658536 /nfs/dbraw/zinc/65/85/36/909658536.db2.gz JIDBNYDAPXZKDZ-OCCSQVGLSA-N 1 2 291.395 1.720 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2occc2CN(C)C)[C@H]1C ZINC001088822821 909658547 /nfs/dbraw/zinc/65/85/47/909658547.db2.gz JIDBNYDAPXZKDZ-OCCSQVGLSA-N 1 2 291.395 1.720 20 30 CDEDLO Cn1cc(Cl)c(C[NH2+]CCNC(=O)C#CC(C)(C)C)n1 ZINC001126915723 909770069 /nfs/dbraw/zinc/77/00/69/909770069.db2.gz HQNDXWZCGJFRJD-UHFFFAOYSA-N 1 2 296.802 1.329 20 30 CDEDLO Cc1nc(NC2CC(N(C)C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001126935556 909920940 /nfs/dbraw/zinc/92/09/40/909920940.db2.gz JPZYNEILALUIAL-UHFFFAOYSA-N 1 2 284.363 1.600 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](F)CC)CC2)C1 ZINC001093561480 910010629 /nfs/dbraw/zinc/01/06/29/910010629.db2.gz QAAGYBWIDICZQF-AWEZNQCLSA-N 1 2 284.375 1.612 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC2(C)CC2)[C@H](O)C1 ZINC001099928872 910132744 /nfs/dbraw/zinc/13/27/44/910132744.db2.gz PVZIPXJSJBDRQN-VXGBXAGGSA-N 1 2 286.803 1.481 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC2(C)CC2)[C@H](O)C1 ZINC001099928872 910132753 /nfs/dbraw/zinc/13/27/53/910132753.db2.gz PVZIPXJSJBDRQN-VXGBXAGGSA-N 1 2 286.803 1.481 20 30 CDEDLO N#Cc1ccc(NCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cn1 ZINC001094220143 910394852 /nfs/dbraw/zinc/39/48/52/910394852.db2.gz HZBXLAODTUFUEO-CHWSQXEVSA-N 1 2 296.334 1.008 20 30 CDEDLO N#Cc1ccc(NCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cn1 ZINC001094220143 910394867 /nfs/dbraw/zinc/39/48/67/910394867.db2.gz HZBXLAODTUFUEO-CHWSQXEVSA-N 1 2 296.334 1.008 20 30 CDEDLO Cc1cc(NCCCNC(=O)[C@@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001094341695 910518653 /nfs/dbraw/zinc/51/86/53/910518653.db2.gz ANCSLXNWIWORPG-NSHDSACASA-N 1 2 289.383 1.986 20 30 CDEDLO 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/nfs/dbraw/zinc/46/37/10/936463710.db2.gz YPHUJVGCUILQCT-UHFFFAOYSA-N 1 2 294.301 1.759 20 30 CDEDLO Cc1cc(NC[C@@H](C)NC(=O)[C@H](C)C#N)nc(C2CC2)[nH+]1 ZINC001107652512 918547642 /nfs/dbraw/zinc/54/76/42/918547642.db2.gz ATDMXQRUZFSSMM-MWLCHTKSSA-N 1 2 287.367 1.739 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001107725308 918691161 /nfs/dbraw/zinc/69/11/61/918691161.db2.gz BAPDYIVCCJKZDJ-ZBFHGGJFSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001107725308 918691173 /nfs/dbraw/zinc/69/11/73/918691173.db2.gz BAPDYIVCCJKZDJ-ZBFHGGJFSA-N 1 2 278.396 1.736 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCSCC)C1 ZINC001107771668 918763055 /nfs/dbraw/zinc/76/30/55/918763055.db2.gz VQGIMVYWVFYVCM-OAHLLOKOSA-N 1 2 298.452 1.360 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCSCC)C1 ZINC001107771668 918763067 /nfs/dbraw/zinc/76/30/67/918763067.db2.gz VQGIMVYWVFYVCM-OAHLLOKOSA-N 1 2 298.452 1.360 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)OCC(C)C)C1 ZINC001107783502 918775202 /nfs/dbraw/zinc/77/52/02/918775202.db2.gz IZMZHMFUXUICOT-ZBFHGGJFSA-N 1 2 298.427 1.441 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)OCC(C)C)C1 ZINC001107783502 918775214 /nfs/dbraw/zinc/77/52/14/918775214.db2.gz IZMZHMFUXUICOT-ZBFHGGJFSA-N 1 2 298.427 1.441 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2CCOC2)CC1 ZINC001000495644 936532894 /nfs/dbraw/zinc/53/28/94/936532894.db2.gz KAHXIAWTSSJIPL-ZDUSSCGKSA-N 1 2 284.787 1.524 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCOC2)CC1 ZINC001000495644 936532895 /nfs/dbraw/zinc/53/28/95/936532895.db2.gz KAHXIAWTSSJIPL-ZDUSSCGKSA-N 1 2 284.787 1.524 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2=Cc3ccccc3C2)CC1 ZINC001183974951 918806808 /nfs/dbraw/zinc/80/68/08/918806808.db2.gz PGEHVHWTLPSAAW-UHFFFAOYSA-N 1 2 268.360 1.956 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)SC)C1 ZINC001107878723 918968650 /nfs/dbraw/zinc/96/86/50/918968650.db2.gz 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919117655 /nfs/dbraw/zinc/11/76/55/919117655.db2.gz ZEJXVTPXZANXRL-ZIAGYGMSSA-N 1 2 275.352 1.816 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccnc1C ZINC001051089022 936568513 /nfs/dbraw/zinc/56/85/13/936568513.db2.gz HYOSBWLVMKNUFU-AWEZNQCLSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccnc1C ZINC001051089022 936568514 /nfs/dbraw/zinc/56/85/14/936568514.db2.gz HYOSBWLVMKNUFU-AWEZNQCLSA-N 1 2 289.379 1.397 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CF)CCOCC1 ZINC001032628930 919530144 /nfs/dbraw/zinc/53/01/44/919530144.db2.gz OHKXYJCMKKIHFL-KBPBESRZSA-N 1 2 294.370 1.061 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CF)CCOCC1 ZINC001032628930 919530158 /nfs/dbraw/zinc/53/01/58/919530158.db2.gz OHKXYJCMKKIHFL-KBPBESRZSA-N 1 2 294.370 1.061 20 30 CDEDLO C#Cc1cnc(N2CCC[C@@H](n3cc[nH+]c3)C2)nc1 ZINC000827557904 936599095 /nfs/dbraw/zinc/59/90/95/936599095.db2.gz RLGQJECRFJMYFI-CYBMUJFWSA-N 1 2 253.309 1.496 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3cncnc3)CC2)cc1F ZINC001139530076 936626647 /nfs/dbraw/zinc/62/66/47/936626647.db2.gz KDEONYKWFWHRGN-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO C=CCCCC(=O)NCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001078098370 920102230 /nfs/dbraw/zinc/10/22/30/920102230.db2.gz LPUYQRTUHKNODY-LBPRGKRZSA-N 1 2 292.383 1.320 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cccc(Cl)c2C#N)CC1 ZINC001139691945 936636436 /nfs/dbraw/zinc/63/64/36/936636436.db2.gz KWENQBHRWJRMTP-UHFFFAOYSA-N 1 2 273.767 1.962 20 30 CDEDLO N#Cc1cccc2c(C[N@@H+]3CCO[C@H](CO)C3)c[nH]c21 ZINC001139701115 936637808 /nfs/dbraw/zinc/63/78/08/936637808.db2.gz AXBRVBSAACUCGD-ZDUSSCGKSA-N 1 2 271.320 1.233 20 30 CDEDLO N#Cc1cccc2c(C[N@H+]3CCO[C@H](CO)C3)c[nH]c21 ZINC001139701115 936637809 /nfs/dbraw/zinc/63/78/09/936637809.db2.gz AXBRVBSAACUCGD-ZDUSSCGKSA-N 1 2 271.320 1.233 20 30 CDEDLO C#CCN1C[C@@]2(F)C[N@@H+](CC(C)(C)C)C[C@@]2(F)C1=O ZINC001273532727 920284226 /nfs/dbraw/zinc/28/42/26/920284226.db2.gz OEKUHBGJYCGXEA-UONOGXRCSA-N 1 2 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/nfs/dbraw/zinc/06/29/59/927062959.db2.gz GKUPOLADMROKSY-SQWLQELKSA-N 1 2 278.396 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001108270318 927062971 /nfs/dbraw/zinc/06/29/71/927062971.db2.gz GKUPOLADMROKSY-SQWLQELKSA-N 1 2 278.396 1.426 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)COC(C)C)C1 ZINC001490529027 927196466 /nfs/dbraw/zinc/19/64/66/927196466.db2.gz ZBCWQJAWSMEPJZ-NSHDSACASA-N 1 2 260.765 1.354 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)COC(C)C)C1 ZINC001490529027 927196460 /nfs/dbraw/zinc/19/64/60/927196460.db2.gz ZBCWQJAWSMEPJZ-NSHDSACASA-N 1 2 260.765 1.354 20 30 CDEDLO C#CCCCC(=O)NC[C@@H]1C[N@H+](CC(=C)Cl)CCCO1 ZINC001149639977 937196897 /nfs/dbraw/zinc/19/68/97/937196897.db2.gz OTODEUPKYKLRMB-CQSZACIVSA-N 1 2 298.814 1.750 20 30 CDEDLO C#CCCCC(=O)NC[C@@H]1C[N@@H+](CC(=C)Cl)CCCO1 ZINC001149639977 937196899 /nfs/dbraw/zinc/19/68/99/937196899.db2.gz OTODEUPKYKLRMB-CQSZACIVSA-N 1 2 298.814 1.750 20 30 CDEDLO N#Cc1ccc(-c2cccs2)nc1NOCC[NH3+] ZINC001156294119 927948711 /nfs/dbraw/zinc/94/87/11/927948711.db2.gz ZKPDUZSTXBLRJG-UHFFFAOYSA-N 1 2 260.322 1.984 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H](C)CNc2cc[nH+]c(C)n2)cn1 ZINC001108470186 927991480 /nfs/dbraw/zinc/99/14/80/927991480.db2.gz GCNPZTIPVADRAE-NSHDSACASA-N 1 2 295.346 1.392 20 30 CDEDLO C[N@@H+]1CCOC[C@@H]1CNc1cnc2[nH]cc(C#N)c2c1 ZINC001169655138 928294113 /nfs/dbraw/zinc/29/41/13/928294113.db2.gz DAJHGABKRDZOPR-LBPRGKRZSA-N 1 2 271.324 1.177 20 30 CDEDLO C[N@H+]1CCOC[C@@H]1CNc1cnc2[nH]cc(C#N)c2c1 ZINC001169655138 928294124 /nfs/dbraw/zinc/29/41/24/928294124.db2.gz DAJHGABKRDZOPR-LBPRGKRZSA-N 1 2 271.324 1.177 20 30 CDEDLO CO/N=C/c1cc(NC[C@@H]2COCC[N@@H+]2C)cc(F)c1F ZINC001169659060 928304349 /nfs/dbraw/zinc/30/43/49/928304349.db2.gz AGIQYEGYXUYMQL-CIPPFVMLSA-N 1 2 299.321 1.688 20 30 CDEDLO CO/N=C/c1cc(NC[C@@H]2COCC[N@H+]2C)cc(F)c1F ZINC001169659060 928304359 /nfs/dbraw/zinc/30/43/59/928304359.db2.gz AGIQYEGYXUYMQL-CIPPFVMLSA-N 1 2 299.321 1.688 20 30 CDEDLO C=CC[C@H](Nc1ccn2cc(N)[nH+]c2c1)C(=O)OC ZINC001169839159 928460737 /nfs/dbraw/zinc/46/07/37/928460737.db2.gz SWQRLYAMSGHISY-JTQLQIEISA-N 1 2 260.297 1.446 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N[C@@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001108922622 928724938 /nfs/dbraw/zinc/72/49/38/928724938.db2.gz BICKBAJVCSLJII-XHDPSFHLSA-N 1 2 292.383 1.053 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)COC)C2 ZINC001109056614 928783626 /nfs/dbraw/zinc/78/36/26/928783626.db2.gz CJXWROJAYPPGRM-XEZLXBQYSA-N 1 2 286.803 1.743 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)COC)C2 ZINC001109056614 928783630 /nfs/dbraw/zinc/78/36/30/928783630.db2.gz CJXWROJAYPPGRM-XEZLXBQYSA-N 1 2 286.803 1.743 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCO[C@H](C)CC(C)C)CC1 ZINC001112839867 929485838 /nfs/dbraw/zinc/48/58/38/929485838.db2.gz XIALQYGPNOORHL-MRXNPFEDSA-N 1 2 294.439 1.995 20 30 CDEDLO C=C(C)[C@H](CC(=O)N1CC[NH+](CC#CC)CC1)OCC ZINC001112909042 929554822 /nfs/dbraw/zinc/55/48/22/929554822.db2.gz JFFCIWUBWSPYIA-HNNXBMFYSA-N 1 2 278.396 1.525 20 30 CDEDLO Cc1nc(C#N)cc(NCCCNc2cccc[nH+]2)n1 ZINC000881812759 929903429 /nfs/dbraw/zinc/90/34/29/929903429.db2.gz BUMIWYYUABUPEJ-UHFFFAOYSA-N 1 2 268.324 1.966 20 30 CDEDLO C[C@H](C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21)NCC#N ZINC001134968665 929984670 /nfs/dbraw/zinc/98/46/70/929984670.db2.gz FMLCLQUIMNOHNG-VXGBXAGGSA-N 1 2 285.351 1.344 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)CCc1nnc[nH]1 ZINC001152628832 937377112 /nfs/dbraw/zinc/37/71/12/937377112.db2.gz UPFMAIBODXARKH-LLVKDONJSA-N 1 2 299.806 1.316 20 30 CDEDLO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CCc1nnc[nH]1 ZINC001152628832 937377113 /nfs/dbraw/zinc/37/71/13/937377113.db2.gz UPFMAIBODXARKH-LLVKDONJSA-N 1 2 299.806 1.316 20 30 CDEDLO C=CCNC(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC001202565574 930302364 /nfs/dbraw/zinc/30/23/64/930302364.db2.gz WNDRJEAPHUQMCC-UHFFFAOYSA-N 1 2 261.325 1.820 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCC[C@H](CC)C1 ZINC000884144179 930459241 /nfs/dbraw/zinc/45/92/41/930459241.db2.gz DDDXRPDQRRKGRT-AVGNSLFASA-N 1 2 282.384 1.518 20 30 CDEDLO C=C(C)CNC(=S)NNc1[nH+]ncc(N)c1Cl ZINC001116285589 937440378 /nfs/dbraw/zinc/44/03/78/937440378.db2.gz HUVSDBNOOZPLMD-UHFFFAOYSA-N 1 2 272.765 1.079 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C)CC(=C)C2)[C@@H](O)C1 ZINC001090553480 931091284 /nfs/dbraw/zinc/09/12/84/931091284.db2.gz MYKXIGNQPKRACY-OLZOCXBDSA-N 1 2 298.814 1.647 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CC(=C)C2)[C@@H](O)C1 ZINC001090553480 931091289 /nfs/dbraw/zinc/09/12/89/931091289.db2.gz MYKXIGNQPKRACY-OLZOCXBDSA-N 1 2 298.814 1.647 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(O)cn2)C1 ZINC001144269524 931730240 /nfs/dbraw/zinc/73/02/40/931730240.db2.gz RWRBSQWPCSHMQQ-ZDUSSCGKSA-N 1 2 291.351 1.664 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(O)cn2)C1 ZINC001144269524 931730248 /nfs/dbraw/zinc/73/02/48/931730248.db2.gz RWRBSQWPCSHMQQ-ZDUSSCGKSA-N 1 2 291.351 1.664 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1c(Cl)ncn1CC)[C@H]1CCCO1 ZINC001308378558 931805221 /nfs/dbraw/zinc/80/52/21/931805221.db2.gz ZHUHQDJAPOTWQV-ZYHUDNBSSA-N 1 2 267.760 1.827 20 30 CDEDLO CCOC(=O)c1noc(C[NH2+]C#C[Si](C)(C)C)n1 ZINC001171236386 932078480 /nfs/dbraw/zinc/07/84/80/932078480.db2.gz NZPPLYKRTFNKED-UHFFFAOYSA-N 1 2 267.361 1.174 20 30 CDEDLO C=CCN(C(=O)C(=O)NCc1c[nH+]c(C)cc1C)C1CC1 ZINC001118036425 937583854 /nfs/dbraw/zinc/58/38/54/937583854.db2.gz AXRZFNNLAOVISW-UHFFFAOYSA-N 1 2 287.363 1.492 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(OC)ns1)C2 ZINC001095433916 932456364 /nfs/dbraw/zinc/45/63/64/932456364.db2.gz MPMHUBRNYCVYGE-VWYCJHECSA-N 1 2 291.376 1.120 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(OC)ns1)C2 ZINC001095433916 932456367 /nfs/dbraw/zinc/45/63/67/932456367.db2.gz MPMHUBRNYCVYGE-VWYCJHECSA-N 1 2 291.376 1.120 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC ZINC001110932103 933098536 /nfs/dbraw/zinc/09/85/36/933098536.db2.gz DZWSSCMOFOKTJI-SYQHCUMBSA-N 1 2 293.411 1.056 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC ZINC001110932103 933098545 /nfs/dbraw/zinc/09/85/45/933098545.db2.gz DZWSSCMOFOKTJI-SYQHCUMBSA-N 1 2 293.411 1.056 20 30 CDEDLO C=C[C@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001118774589 937665228 /nfs/dbraw/zinc/66/52/28/937665228.db2.gz DMOYPIBADUMNDM-CABCVRRESA-N 1 2 289.379 1.099 20 30 CDEDLO C=C[C@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001118774589 937665229 /nfs/dbraw/zinc/66/52/29/937665229.db2.gz DMOYPIBADUMNDM-CABCVRRESA-N 1 2 289.379 1.099 20 30 CDEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(COC(C)C)no1 ZINC000930602187 933411784 /nfs/dbraw/zinc/41/17/84/933411784.db2.gz ZLGPLSZFRIGQEX-CYBMUJFWSA-N 1 2 251.330 1.886 20 30 CDEDLO N#CC[C@@H](O)C[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000930700545 933433594 /nfs/dbraw/zinc/43/35/94/933433594.db2.gz PCIWAQUOESFTQT-LLVKDONJSA-N 1 2 250.729 1.973 20 30 CDEDLO N#CC[C@@H](O)C[N@H+]1CCc2cccc(Cl)c2C1 ZINC000930700545 933433601 /nfs/dbraw/zinc/43/36/01/933433601.db2.gz PCIWAQUOESFTQT-LLVKDONJSA-N 1 2 250.729 1.973 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2ncccc2C(F)(F)F)CCCN1O ZINC001119450530 937721263 /nfs/dbraw/zinc/72/12/63/937721263.db2.gz SFDUUZFXBQAKQV-VIFPVBQESA-N 1 2 289.257 1.570 20 30 CDEDLO Cc1noc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2C#N)n1 ZINC001412965716 935119355 /nfs/dbraw/zinc/11/93/55/935119355.db2.gz RZLAGLOEINXHLU-JTQLQIEISA-N 1 2 299.334 1.929 20 30 CDEDLO Cc1nc(NCCC[C@H](C)NC(=O)C#CC2CC2)cc[nH+]1 ZINC001114922636 935349375 /nfs/dbraw/zinc/34/93/75/935349375.db2.gz LAVNSGMHPPARET-LBPRGKRZSA-N 1 2 286.379 1.895 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2sc(Cl)nc2C)C1 ZINC001014583758 935541167 /nfs/dbraw/zinc/54/11/67/935541167.db2.gz NMEXQMNJHYARQD-JTQLQIEISA-N 1 2 297.811 1.932 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2sc(Cl)nc2C)C1 ZINC001014583758 935541171 /nfs/dbraw/zinc/54/11/71/935541171.db2.gz NMEXQMNJHYARQD-JTQLQIEISA-N 1 2 297.811 1.932 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(=O)c3ccccc3o2)C1 ZINC001016154135 935604657 /nfs/dbraw/zinc/60/46/57/935604657.db2.gz SLFDSYIWMRKSEX-GFCCVEGCSA-N 1 2 296.326 1.230 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)c3ccccc3o2)C1 ZINC001016154135 935604658 /nfs/dbraw/zinc/60/46/58/935604658.db2.gz SLFDSYIWMRKSEX-GFCCVEGCSA-N 1 2 296.326 1.230 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)ccn1 ZINC001017581234 935643719 /nfs/dbraw/zinc/64/37/19/935643719.db2.gz BYFIFUGZRPMFAX-GASCZTMLSA-N 1 2 283.375 1.566 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)ccn1 ZINC001017581234 935643722 /nfs/dbraw/zinc/64/37/22/935643722.db2.gz BYFIFUGZRPMFAX-GASCZTMLSA-N 1 2 283.375 1.566 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1nccc2cccnc21 ZINC001038358596 935742181 /nfs/dbraw/zinc/74/21/81/935742181.db2.gz ZGBYBZDEJNAANT-ZDUSSCGKSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1nccc2cccnc21 ZINC001038358596 935742182 /nfs/dbraw/zinc/74/21/82/935742182.db2.gz ZGBYBZDEJNAANT-ZDUSSCGKSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(OC)c1C ZINC001038748912 935755608 /nfs/dbraw/zinc/75/56/08/935755608.db2.gz XVSGMSZSQIVWES-CYBMUJFWSA-N 1 2 272.348 1.441 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(OC)c1C ZINC001038748912 935755611 /nfs/dbraw/zinc/75/56/11/935755611.db2.gz XVSGMSZSQIVWES-CYBMUJFWSA-N 1 2 272.348 1.441 20 30 CDEDLO Cc1cc(N[C@H]2C[C@@H](NC(=O)[C@@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001097164226 936276180 /nfs/dbraw/zinc/27/61/80/936276180.db2.gz FNGZHBWGWAYUPE-TVYUQYBPSA-N 1 2 299.378 1.881 20 30 CDEDLO Cc1nc(N2CCC[C@H](CNC(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001097298597 936289673 /nfs/dbraw/zinc/28/96/73/936289673.db2.gz QZKMZJOYPPAYMB-DGCLKSJQSA-N 1 2 287.367 1.277 20 30 CDEDLO C=C1CC(C)(C(=O)NC[C@@H](CO)Nc2cc[nH+]c(C)n2)C1 ZINC001122500919 937937968 /nfs/dbraw/zinc/93/79/68/937937968.db2.gz NGYTYBJMJWKXNI-LBPRGKRZSA-N 1 2 290.367 1.030 20 30 CDEDLO N#Cc1ncc(Cl)nc1NCc1cc[nH+]c(N)c1 ZINC001156755453 938414027 /nfs/dbraw/zinc/41/40/27/938414027.db2.gz AUGIBIHXXIXPLW-UHFFFAOYSA-N 1 2 260.688 1.591 20 30 CDEDLO CCN(CC#N)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248777 938469713 /nfs/dbraw/zinc/46/97/13/938469713.db2.gz WTOVPEVQAWUCEW-CYBMUJFWSA-N 1 2 277.372 1.013 20 30 CDEDLO N#Cc1cnc(Cl)cc1NCC1([NH+]2CCCC2)COC1 ZINC001157650167 938526941 /nfs/dbraw/zinc/52/69/41/938526941.db2.gz LNWHMUWAYSYACD-UHFFFAOYSA-N 1 2 292.770 1.883 20 30 CDEDLO C[N@@H+]1CCOC[C@H]1CNc1ccc2[nH]c(C#N)cc2n1 ZINC001158708172 938654211 /nfs/dbraw/zinc/65/42/11/938654211.db2.gz YCBZBVDXUAKLRU-LLVKDONJSA-N 1 2 271.324 1.177 20 30 CDEDLO C[N@H+]1CCOC[C@H]1CNc1ccc2[nH]c(C#N)cc2n1 ZINC001158708172 938654213 /nfs/dbraw/zinc/65/42/13/938654213.db2.gz YCBZBVDXUAKLRU-LLVKDONJSA-N 1 2 271.324 1.177 20 30 CDEDLO Cc1cnc(NC2CN(c3cccc[nH+]3)C2)c(C#N)n1 ZINC001161322553 938888833 /nfs/dbraw/zinc/88/88/33/938888833.db2.gz KJOGCCKFGKOETO-UHFFFAOYSA-N 1 2 266.308 1.352 20 30 CDEDLO Cn1nccc1CNc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001161872187 938938473 /nfs/dbraw/zinc/93/84/73/938938473.db2.gz RQUQTYVKMWRZKF-UHFFFAOYSA-N 1 2 253.309 1.982 20 30 CDEDLO Cc1[nH+]c(N2CCCC(=O)[C@@H](F)C2)ccc1CC#N ZINC001164137223 939418114 /nfs/dbraw/zinc/41/81/14/939418114.db2.gz QOSHFXCJRHHLSZ-LBPRGKRZSA-N 1 2 261.300 1.964 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1c1ncnc2c(F)cccc21 ZINC001164641194 939501475 /nfs/dbraw/zinc/50/14/75/939501475.db2.gz GXAVFTXGCQXUMS-SECBINFHSA-N 1 2 257.272 1.071 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)Oc1ccnc(Cl)c1 ZINC001164661548 939502899 /nfs/dbraw/zinc/50/28/99/939502899.db2.gz MSKFQYIMICAMPN-MRVPVSSYSA-N 1 2 288.685 1.461 20 30 CDEDLO C[C@H]1C[NH+](C2CN(Cc3cccc(C#N)c3)C2)C[C@H](C)O1 ZINC001203765030 939703681 /nfs/dbraw/zinc/70/36/81/939703681.db2.gz TXXLKZUBAPFHMO-KBPBESRZSA-N 1 2 285.391 1.852 20 30 CDEDLO C[C@H]1CN(C2C[NH+](Cc3cccc(C#N)c3)C2)C[C@H](C)O1 ZINC001203765030 939703683 /nfs/dbraw/zinc/70/36/83/939703683.db2.gz TXXLKZUBAPFHMO-KBPBESRZSA-N 1 2 285.391 1.852 20 30 CDEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1ncc[nH]1)CC2 ZINC001203976010 939717759 /nfs/dbraw/zinc/71/77/59/939717759.db2.gz VNVKOQUERNTFJZ-UHFFFAOYSA-N 1 2 274.368 1.553 20 30 CDEDLO COc1cc(C[NH+]2CCC(C#N)CC2)cc(O)c1O ZINC001204341911 939757885 /nfs/dbraw/zinc/75/78/85/939757885.db2.gz IOAUDRVINYZVAV-UHFFFAOYSA-N 1 2 262.309 1.842 20 30 CDEDLO Cc1cc(-c2noc([C@@]3([NH3+])CCOC3)n2)ccc1C#N ZINC001205226972 939838951 /nfs/dbraw/zinc/83/89/51/939838951.db2.gz BNRJIOGVAZTEGV-CQSZACIVSA-N 1 2 270.292 1.491 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2nccs2)C[C@H]1C ZINC001206640398 940074747 /nfs/dbraw/zinc/07/47/47/940074747.db2.gz GEFWCFWOPIADHL-GMTAPVOTSA-N 1 2 278.381 1.239 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2nccs2)C[C@H]1C ZINC001206640398 940074748 /nfs/dbraw/zinc/07/47/48/940074748.db2.gz GEFWCFWOPIADHL-GMTAPVOTSA-N 1 2 278.381 1.239 20 30 CDEDLO N#Cc1ccccc1N1CC[NH+](Cc2cccc(=O)[nH]2)CC1 ZINC001207065173 940140021 /nfs/dbraw/zinc/14/00/21/940140021.db2.gz JZRULZFZXRWNAH-UHFFFAOYSA-N 1 2 294.358 1.981 20 30 CDEDLO O=C1C=C2C[N@@H+](CCCn3cccn3)CC[C@H]2S1 ZINC001208076785 940283921 /nfs/dbraw/zinc/28/39/21/940283921.db2.gz QHZXDSDELZUQFP-GFCCVEGCSA-N 1 2 263.366 1.547 20 30 CDEDLO O=C1C=C2C[N@H+](CCCn3cccn3)CC[C@H]2S1 ZINC001208076785 940283923 /nfs/dbraw/zinc/28/39/23/940283923.db2.gz QHZXDSDELZUQFP-GFCCVEGCSA-N 1 2 263.366 1.547 20 30 CDEDLO C=C(C)CCC(=O)N1CCC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001208255052 940312517 /nfs/dbraw/zinc/31/25/17/940312517.db2.gz BSFQCUZGWWPLFT-LBPRGKRZSA-N 1 2 294.424 1.975 20 30 CDEDLO CC(C)(C)OC(=O)N1CCOC[C@H]1C[N@@H+]1CC[C@@H](C#N)C1 ZINC001208982258 940417933 /nfs/dbraw/zinc/41/79/33/940417933.db2.gz PSZDKQLQJPLORW-QWHCGFSZSA-N 1 2 295.383 1.468 20 30 CDEDLO CC(C)(C)OC(=O)N1CCOC[C@H]1C[N@H+]1CC[C@@H](C#N)C1 ZINC001208982258 940417935 /nfs/dbraw/zinc/41/79/35/940417935.db2.gz PSZDKQLQJPLORW-QWHCGFSZSA-N 1 2 295.383 1.468 20 30 CDEDLO C#CCN1CC[NH+](Cc2c[nH]c3ncc(Cl)cc23)CC1 ZINC001209601431 940615215 /nfs/dbraw/zinc/61/52/15/940615215.db2.gz ZXCSVJJKQPGFEF-UHFFFAOYSA-N 1 2 288.782 1.967 20 30 CDEDLO C#CCC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001214672801 940836070 /nfs/dbraw/zinc/83/60/70/940836070.db2.gz YLUGJLASKBTWOG-OPRDCNLKSA-N 1 2 280.265 1.347 20 30 CDEDLO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C ZINC001214672801 940836072 /nfs/dbraw/zinc/83/60/72/940836072.db2.gz YLUGJLASKBTWOG-OPRDCNLKSA-N 1 2 280.265 1.347 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3(CCF)CC3)[C@H]2C1 ZINC001218368656 941210865 /nfs/dbraw/zinc/21/08/65/941210865.db2.gz BQPLAGXPKSJHLI-UONOGXRCSA-N 1 2 294.370 1.061 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)C3(CCF)CC3)[C@H]2C1 ZINC001218368656 941210867 /nfs/dbraw/zinc/21/08/67/941210867.db2.gz BQPLAGXPKSJHLI-UONOGXRCSA-N 1 2 294.370 1.061 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCCC3CC3)[C@H]2C1 ZINC001218497513 941223454 /nfs/dbraw/zinc/22/34/54/941223454.db2.gz HOEOGXMWQYKWAZ-LSDHHAIUSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCCC3CC3)[C@H]2C1 ZINC001218497513 941223455 /nfs/dbraw/zinc/22/34/55/941223455.db2.gz HOEOGXMWQYKWAZ-LSDHHAIUSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)CC(C)C)[C@H]2C1 ZINC001218942137 941291746 /nfs/dbraw/zinc/29/17/46/941291746.db2.gz MCWVLAWHYFIBSD-OWCLPIDISA-N 1 2 292.423 1.604 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)CC(C)C)[C@H]2C1 ZINC001218942137 941291749 /nfs/dbraw/zinc/29/17/49/941291749.db2.gz MCWVLAWHYFIBSD-OWCLPIDISA-N 1 2 292.423 1.604 20 30 CDEDLO C#CC[NH+]1CCC(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001223257600 941665742 /nfs/dbraw/zinc/66/57/42/941665742.db2.gz BLNCZIIFJTZFKU-SNVBAGLBSA-N 1 2 280.265 1.348 20 30 CDEDLO C#CC[NH+]1CCC(CNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001223257600 941665744 /nfs/dbraw/zinc/66/57/44/941665744.db2.gz BLNCZIIFJTZFKU-SNVBAGLBSA-N 1 2 280.265 1.348 20 30 CDEDLO Cc1cc(=O)c(C#N)c(OC2C[NH+](C(C)(C)C)C2)[nH]1 ZINC001225466888 941863630 /nfs/dbraw/zinc/86/36/30/941863630.db2.gz IBJZGSDDWSNRLF-UHFFFAOYSA-N 1 2 261.325 1.829 20 30 CDEDLO C=CCCC(=O)NC1CC[NH+](Cc2cnns2)CC1 ZINC001226534196 942021584 /nfs/dbraw/zinc/02/15/84/942021584.db2.gz FRUYRYRKIVZLGY-UHFFFAOYSA-N 1 2 280.397 1.585 20 30 CDEDLO Cc1nc(C[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)c(C)o1 ZINC001226640459 942040371 /nfs/dbraw/zinc/04/03/71/942040371.db2.gz NKWBWLVWCTYSAE-JTQLQIEISA-N 1 2 290.367 1.532 20 30 CDEDLO Cc1cccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1C#N ZINC001226920856 942094506 /nfs/dbraw/zinc/09/45/06/942094506.db2.gz ZKIOZURUTRKJDK-UCHAVSLVSA-N 1 2 270.332 1.858 20 30 CDEDLO Cc1cccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1C#N ZINC001226920856 942094504 /nfs/dbraw/zinc/09/45/04/942094504.db2.gz ZKIOZURUTRKJDK-UCHAVSLVSA-N 1 2 270.332 1.858 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc4ccc(C#N)cc4[nH]3)[C@H]1CC(=O)C2 ZINC001227216391 942151538 /nfs/dbraw/zinc/15/15/38/942151538.db2.gz QZEIIJMUAWGWCJ-COLVAYQJSA-N 1 2 296.330 1.618 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc4ccc(C#N)cc4[nH]3)[C@H]1CC(=O)C2 ZINC001227216391 942151542 /nfs/dbraw/zinc/15/15/42/942151542.db2.gz QZEIIJMUAWGWCJ-COLVAYQJSA-N 1 2 296.330 1.618 20 30 CDEDLO CCn1c(OC2C[NH+](CC)C2)cc(C)c(C#N)c1=O ZINC001229322550 942450955 /nfs/dbraw/zinc/45/09/55/942450955.db2.gz GEHOWEWCOVCUIP-UHFFFAOYSA-N 1 2 261.325 1.131 20 30 CDEDLO CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)CC#Cc1ccccc1 ZINC001316610609 942568402 /nfs/dbraw/zinc/56/84/02/942568402.db2.gz UOWDQGGIAMCOQN-INIZCTEOSA-N 1 2 288.366 1.930 20 30 CDEDLO CN(C[C@@H]1CC[N@H+]1CCF)C(=O)CC#Cc1ccccc1 ZINC001316610609 942568417 /nfs/dbraw/zinc/56/84/17/942568417.db2.gz UOWDQGGIAMCOQN-INIZCTEOSA-N 1 2 288.366 1.930 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccsc1 ZINC001230697676 942678926 /nfs/dbraw/zinc/67/89/26/942678926.db2.gz LBIIMVIZDYJNCU-CQSZACIVSA-N 1 2 292.404 1.544 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccsc1 ZINC001230697676 942678931 /nfs/dbraw/zinc/67/89/31/942678931.db2.gz LBIIMVIZDYJNCU-CQSZACIVSA-N 1 2 292.404 1.544 20 30 CDEDLO Cc1nc(N)ccc1C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001232337933 943225435 /nfs/dbraw/zinc/22/54/35/943225435.db2.gz AZSSNPFBENSSPV-GFCCVEGCSA-N 1 2 275.377 1.746 20 30 CDEDLO Cc1nc(N)ccc1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001232337933 943225439 /nfs/dbraw/zinc/22/54/39/943225439.db2.gz AZSSNPFBENSSPV-GFCCVEGCSA-N 1 2 275.377 1.746 20 30 CDEDLO Nc1ccc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)cn1 ZINC001232366491 943242162 /nfs/dbraw/zinc/24/21/62/943242162.db2.gz WGZPATIEWIRRCB-NSHDSACASA-N 1 2 261.350 1.438 20 30 CDEDLO Nc1ccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cn1 ZINC001232366491 943242164 /nfs/dbraw/zinc/24/21/64/943242164.db2.gz WGZPATIEWIRRCB-NSHDSACASA-N 1 2 261.350 1.438 20 30 CDEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1cnc(C)[nH]1)CC2 ZINC001232460746 943279188 /nfs/dbraw/zinc/27/91/88/943279188.db2.gz WVSPGSRUIYNLDZ-UHFFFAOYSA-N 1 2 288.395 1.861 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC001232677231 943360027 /nfs/dbraw/zinc/36/00/27/943360027.db2.gz DCILFRHIELODPP-CQSZACIVSA-N 1 2 283.335 1.692 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC001232677231 943360032 /nfs/dbraw/zinc/36/00/32/943360032.db2.gz DCILFRHIELODPP-CQSZACIVSA-N 1 2 283.335 1.692 20 30 CDEDLO CC(=O)N1CCC2(C[NH+](Cc3ccc(C)cc3C#N)C2)C1 ZINC001232966145 943448061 /nfs/dbraw/zinc/44/80/61/943448061.db2.gz MOIBLCWWOGZJMK-UHFFFAOYSA-N 1 2 283.375 1.921 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnnn2Cc2ccccc2)CC1 ZINC001233464054 943590017 /nfs/dbraw/zinc/59/00/17/943590017.db2.gz TWUBYCUEMYOGRS-UHFFFAOYSA-N 1 2 295.390 1.077 20 30 CDEDLO CC(C)[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2C(=O)NO)C1 ZINC001233844798 943671349 /nfs/dbraw/zinc/67/13/49/943671349.db2.gz ACAAMTNTQUIOPZ-UHFFFAOYSA-N 1 2 295.295 1.185 20 30 CDEDLO CCCC[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001234051111 943728058 /nfs/dbraw/zinc/72/80/58/943728058.db2.gz SNBPGDCUVXBSGO-CVEARBPZSA-N 1 2 294.439 1.995 20 30 CDEDLO CCCC[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001234051111 943728061 /nfs/dbraw/zinc/72/80/61/943728061.db2.gz SNBPGDCUVXBSGO-CVEARBPZSA-N 1 2 294.439 1.995 20 30 CDEDLO COc1cc(CN2CCOC[C@@H]2C#N)ccc1-n1cc[nH+]c1 ZINC001234075856 943734092 /nfs/dbraw/zinc/73/40/92/943734092.db2.gz PPKJMEAAYHNJPV-AWEZNQCLSA-N 1 2 298.346 1.605 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2nc(C3CC3)cs2)C1 ZINC001263916065 944029706 /nfs/dbraw/zinc/02/97/06/944029706.db2.gz CNLPQZALCFOLCR-GFCCVEGCSA-N 1 2 289.404 1.848 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2nc(C3CC3)cs2)C1 ZINC001263916065 944029714 /nfs/dbraw/zinc/02/97/14/944029714.db2.gz CNLPQZALCFOLCR-GFCCVEGCSA-N 1 2 289.404 1.848 20 30 CDEDLO N#CCC[N@@H+]1CCCC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001277939018 944132174 /nfs/dbraw/zinc/13/21/74/944132174.db2.gz LNBYEPIGPUWQBX-UHFFFAOYSA-N 1 2 259.357 1.221 20 30 CDEDLO N#CCC[N@H+]1CCCC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001277939018 944132177 /nfs/dbraw/zinc/13/21/77/944132177.db2.gz LNBYEPIGPUWQBX-UHFFFAOYSA-N 1 2 259.357 1.221 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)c1cc(C)ccn1 ZINC001235798099 944279500 /nfs/dbraw/zinc/27/95/00/944279500.db2.gz RGYOJJYSCVIYAF-OAHLLOKOSA-N 1 2 299.418 1.834 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)c1cc(C)ccn1 ZINC001235798099 944279509 /nfs/dbraw/zinc/27/95/09/944279509.db2.gz RGYOJJYSCVIYAF-OAHLLOKOSA-N 1 2 299.418 1.834 20 30 CDEDLO Cn1cc(C[NH+]2CC(N3CC(F)C3)C2)c2cc(C#N)ccc21 ZINC001237466426 944797107 /nfs/dbraw/zinc/79/71/07/944797107.db2.gz NCEKFCFQUDSAKD-UHFFFAOYSA-N 1 2 298.365 1.888 20 30 CDEDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccnc(C#N)c2)CCS1 ZINC001237467935 944797169 /nfs/dbraw/zinc/79/71/69/944797169.db2.gz BPLQPUXIQTXPII-CYBMUJFWSA-N 1 2 291.376 1.434 20 30 CDEDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)CCS1 ZINC001237467935 944797177 /nfs/dbraw/zinc/79/71/77/944797177.db2.gz BPLQPUXIQTXPII-CYBMUJFWSA-N 1 2 291.376 1.434 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237950512 945012624 /nfs/dbraw/zinc/01/26/24/945012624.db2.gz VQVKRRQZGFAVDB-UHFFFAOYSA-N 1 2 282.746 1.936 20 30 CDEDLO CCOC(=O)N1CC[C@H]([N@@H+]2CC[C@@](C)(C#N)C2)C1 ZINC001256046534 948181909 /nfs/dbraw/zinc/18/19/09/948181909.db2.gz UZPHTAZGHNPABE-AAEUAGOBSA-N 1 2 251.330 1.453 20 30 CDEDLO CCOC(=O)N1CC[C@H]([N@H+]2CC[C@@](C)(C#N)C2)C1 ZINC001256046534 948181913 /nfs/dbraw/zinc/18/19/13/948181913.db2.gz UZPHTAZGHNPABE-AAEUAGOBSA-N 1 2 251.330 1.453 20 30 CDEDLO C#CCN([C@H]1C[NH2+][C@H](C(=O)OC)C1)[C@@H]1CCc2ccccc21 ZINC001246817232 948456545 /nfs/dbraw/zinc/45/65/45/948456545.db2.gz ORWUAPTUPIUNPO-HYVNUMGLSA-N 1 2 298.386 1.513 20 30 CDEDLO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001257057645 948505619 /nfs/dbraw/zinc/50/56/19/948505619.db2.gz XRYSLABMJGTDDV-WXHSDQCUSA-N 1 2 295.404 1.992 20 30 CDEDLO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001257057645 948505624 /nfs/dbraw/zinc/50/56/24/948505624.db2.gz XRYSLABMJGTDDV-WXHSDQCUSA-N 1 2 295.404 1.992 20 30 CDEDLO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001257057645 948505629 /nfs/dbraw/zinc/50/56/29/948505629.db2.gz XRYSLABMJGTDDV-WXHSDQCUSA-N 1 2 295.404 1.992 20 30 CDEDLO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001257057645 948505633 /nfs/dbraw/zinc/50/56/33/948505633.db2.gz XRYSLABMJGTDDV-WXHSDQCUSA-N 1 2 295.404 1.992 20 30 CDEDLO C=CCOC(=O)CC[C@H]([NH2+][C@H](C)CC)C(=O)OCC=C ZINC001257431241 948592148 /nfs/dbraw/zinc/59/21/48/948592148.db2.gz AKWPDBVTKZBWOP-OLZOCXBDSA-N 1 2 283.368 1.982 20 30 CDEDLO CCC#Cc1nnc(CC[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC001258011253 948682525 /nfs/dbraw/zinc/68/25/25/948682525.db2.gz KLKFHUDJKYNWGZ-RYUDHWBXSA-N 1 2 263.341 1.483 20 30 CDEDLO C=CCCCNC(=S)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001247696675 948708860 /nfs/dbraw/zinc/70/88/60/948708860.db2.gz BHAPNHGSXVKCET-CYBMUJFWSA-N 1 2 283.441 1.234 20 30 CDEDLO N#Cc1ccccc1Cc1cnn(CC[NH+]2CCOCC2)c1 ZINC001250044814 949971861 /nfs/dbraw/zinc/97/18/61/949971861.db2.gz LOJOCCPNZLPRJK-UHFFFAOYSA-N 1 2 296.374 1.678 20 30 CDEDLO N#Cc1cnc(-c2cccc(C[NH+]3CCOCC3)c2)nc1 ZINC001250507675 950227671 /nfs/dbraw/zinc/22/76/71/950227671.db2.gz NSWKOOSYQLPABZ-UHFFFAOYSA-N 1 2 280.331 1.847 20 30 CDEDLO N#C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(F)cc2F)C1 ZINC001250856276 950431370 /nfs/dbraw/zinc/43/13/70/950431370.db2.gz FUGJZZICRJTPDE-JQWIXIFHSA-N 1 2 282.290 1.550 20 30 CDEDLO N#C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(F)cc2F)C1 ZINC001250856276 950431388 /nfs/dbraw/zinc/43/13/88/950431388.db2.gz FUGJZZICRJTPDE-JQWIXIFHSA-N 1 2 282.290 1.550 20 30 CDEDLO C=CC[NH+]1CCN(C[C@@H](O)COc2ccccc2C)CC1 ZINC001251691979 950758882 /nfs/dbraw/zinc/75/88/82/950758882.db2.gz CWCBSAPBEZJRID-MRXNPFEDSA-N 1 2 290.407 1.538 20 30 CDEDLO C=C[C@](C)(O)CNc1ccc(N2CCC(O)CC2)[nH+]c1 ZINC001252543571 951429346 /nfs/dbraw/zinc/42/93/46/951429346.db2.gz RSOULEPUHBJQRB-HNNXBMFYSA-N 1 2 277.368 1.392 20 30 CDEDLO COc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](C#N)C1 ZINC001252889075 951699026 /nfs/dbraw/zinc/69/90/26/951699026.db2.gz TVDBYVXWNHYLTK-STQMWFEESA-N 1 2 276.336 1.280 20 30 CDEDLO COc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](C#N)C1 ZINC001252889075 951699032 /nfs/dbraw/zinc/69/90/32/951699032.db2.gz TVDBYVXWNHYLTK-STQMWFEESA-N 1 2 276.336 1.280 20 30 CDEDLO C#CC[N@H+](CC1CC1)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC001325182516 953761768 /nfs/dbraw/zinc/76/17/68/953761768.db2.gz USMIEXYZMOLZHP-CQSZACIVSA-N 1 2 260.312 1.697 20 30 CDEDLO C#CC[N@@H+](CC1CC1)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC001325182516 953761778 /nfs/dbraw/zinc/76/17/78/953761778.db2.gz USMIEXYZMOLZHP-CQSZACIVSA-N 1 2 260.312 1.697 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1csc(C)n1 ZINC001493279290 972000114 /nfs/dbraw/zinc/00/01/14/972000114.db2.gz HTNLILDAOMRRPC-NSHDSACASA-N 1 2 294.424 1.939 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1csc(C)n1 ZINC001493279290 972000118 /nfs/dbraw/zinc/00/01/18/972000118.db2.gz HTNLILDAOMRRPC-NSHDSACASA-N 1 2 294.424 1.939 20 30 CDEDLO N#Cc1ccc(C(F)(F)F)n(Cc2ccc[nH+]c2N)c1=O ZINC001364299776 954441494 /nfs/dbraw/zinc/44/14/94/954441494.db2.gz DXBRSWXDNRJTTG-UHFFFAOYSA-N 1 2 294.236 1.764 20 30 CDEDLO N#CC1(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)CCC1 ZINC001364303219 954443453 /nfs/dbraw/zinc/44/34/53/954443453.db2.gz OXVIBBIXRYXREX-UHFFFAOYSA-N 1 2 287.367 1.923 20 30 CDEDLO C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc(C#N)c2)CC[S@]1=O ZINC001364391899 954546386 /nfs/dbraw/zinc/54/63/86/954546386.db2.gz XLEFSYGSUKUHSH-ASNKJTAVSA-N 1 2 292.404 1.435 20 30 CDEDLO C[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)CC[S@]1=O ZINC001364391899 954546396 /nfs/dbraw/zinc/54/63/96/954546396.db2.gz XLEFSYGSUKUHSH-ASNKJTAVSA-N 1 2 292.404 1.435 20 30 CDEDLO O=C(CC#Cc1ccccc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001328697777 955421048 /nfs/dbraw/zinc/42/10/48/955421048.db2.gz NHRJXDHXSFIBHE-KRWDZBQOSA-N 1 2 298.386 1.361 20 30 CDEDLO Cc1cc(CNC(=O)N2CCO[C@H](C#N)C2)cc(C)[nH+]1 ZINC001365430120 956028401 /nfs/dbraw/zinc/02/84/01/956028401.db2.gz GHSHERMUJYGHJZ-CYBMUJFWSA-N 1 2 274.324 1.132 20 30 CDEDLO C#CCN(CC1CC1)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001330048910 956250008 /nfs/dbraw/zinc/25/00/08/956250008.db2.gz MGSNWETWILPSIW-LBPRGKRZSA-N 1 2 260.341 1.326 20 30 CDEDLO CCCCCCC[N@H+](C)Cc1nnc2n1CCNC2=O ZINC001308068757 956464580 /nfs/dbraw/zinc/46/45/80/956464580.db2.gz POZARRDBQCHWHN-UHFFFAOYSA-N 1 2 279.388 1.424 20 30 CDEDLO CCCCCCC[N@@H+](C)Cc1nnc2n1CCNC2=O ZINC001308068757 956464585 /nfs/dbraw/zinc/46/45/85/956464585.db2.gz POZARRDBQCHWHN-UHFFFAOYSA-N 1 2 279.388 1.424 20 30 CDEDLO C[C@H](C#N)C(=O)NC1C[NH+](CCCc2ccsc2)C1 ZINC001366910374 957262296 /nfs/dbraw/zinc/26/22/96/957262296.db2.gz DPEXTEUKAGCHQZ-LLVKDONJSA-N 1 2 277.393 1.641 20 30 CDEDLO C#CCSCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001332035538 957410613 /nfs/dbraw/zinc/41/06/13/957410613.db2.gz GSXIPVCNSXJYMT-UHFFFAOYSA-N 1 2 263.366 1.482 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CC2CCC2)C1 ZINC001318110241 957924645 /nfs/dbraw/zinc/92/46/45/957924645.db2.gz LZZCMCFROVXTMR-UHFFFAOYSA-N 1 2 256.777 1.977 20 30 CDEDLO C=CCn1cnn(C[N@H+]2CCC[C@H]2C[C@H](C)O)c1=S ZINC001319547079 958621544 /nfs/dbraw/zinc/62/15/44/958621544.db2.gz RGKATGWIYHHFLP-RYUDHWBXSA-N 1 2 282.413 1.793 20 30 CDEDLO C=CCn1cnn(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1=S ZINC001319547079 958621548 /nfs/dbraw/zinc/62/15/48/958621548.db2.gz RGKATGWIYHHFLP-RYUDHWBXSA-N 1 2 282.413 1.793 20 30 CDEDLO Cc1nc([C@H](C)[NH2+]CCOc2ccccc2C#N)no1 ZINC001320105430 958939816 /nfs/dbraw/zinc/93/98/16/958939816.db2.gz UZFXUCVDVBJSOA-JTQLQIEISA-N 1 2 272.308 1.979 20 30 CDEDLO C=CC[C@H]([NH2+]C1CCN(CC(F)F)CC1)C(=O)OCC ZINC001321969320 960038796 /nfs/dbraw/zinc/03/87/96/960038796.db2.gz YXURJXLEMOZFIC-LBPRGKRZSA-N 1 2 290.354 1.813 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](C)c1c(C)n[nH]c1C ZINC001420313159 962721462 /nfs/dbraw/zinc/72/14/62/962721462.db2.gz GNNDUYGOMAURMZ-SNVBAGLBSA-N 1 2 298.818 1.931 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](C)c1c(C)n[nH]c1C ZINC001420313159 962721479 /nfs/dbraw/zinc/72/14/79/962721479.db2.gz GNNDUYGOMAURMZ-SNVBAGLBSA-N 1 2 298.818 1.931 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)COC2CCCC2)C1 ZINC001421114960 963461198 /nfs/dbraw/zinc/46/11/98/963461198.db2.gz RDIALMLGIZXBPO-UHFFFAOYSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cn1cc(C)cn1 ZINC001442639861 965156666 /nfs/dbraw/zinc/15/66/66/965156666.db2.gz OZJZBSHDQODUFJ-UHFFFAOYSA-N 1 2 284.791 1.382 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cn1cc(C)cn1 ZINC001442639861 965156670 /nfs/dbraw/zinc/15/66/70/965156670.db2.gz OZJZBSHDQODUFJ-UHFFFAOYSA-N 1 2 284.791 1.382 20 30 CDEDLO COCC#CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC001347321864 965472037 /nfs/dbraw/zinc/47/20/37/965472037.db2.gz DJGBJHHQVYZRSZ-UHFFFAOYSA-N 1 2 287.363 1.338 20 30 CDEDLO C#CC[N@H+](CC1CC1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC001347528753 965571160 /nfs/dbraw/zinc/57/11/60/965571160.db2.gz NMSKNMCZMGMLQO-UHFFFAOYSA-N 1 2 295.386 1.901 20 30 CDEDLO C#CC[N@@H+](CC1CC1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC001347528753 965571166 /nfs/dbraw/zinc/57/11/66/965571166.db2.gz NMSKNMCZMGMLQO-UHFFFAOYSA-N 1 2 295.386 1.901 20 30 CDEDLO Cn1c[nH+]cc1CCCOC(=O)COc1ccc(C#N)cc1 ZINC001348626933 966099802 /nfs/dbraw/zinc/09/98/02/966099802.db2.gz UHOFDIZGSMVKDF-UHFFFAOYSA-N 1 2 299.330 1.847 20 30 CDEDLO C#C[C@H](C)N(C)c1nnc(Cc2[nH+]ccn2C)n1CC1CC1 ZINC001348976616 966242725 /nfs/dbraw/zinc/24/27/25/966242725.db2.gz VQQXBBPHSVNHFF-LBPRGKRZSA-N 1 2 298.394 1.470 20 30 CDEDLO C[C@H](CCC#N)C[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC001349632080 966414185 /nfs/dbraw/zinc/41/41/85/966414185.db2.gz FOJDDBNWAURCLE-MNOVXSKESA-N 1 2 263.345 1.686 20 30 CDEDLO CCn1ccnc1[C@H](C#N)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001349701809 966438134 /nfs/dbraw/zinc/43/81/34/966438134.db2.gz JPPIPEYISGZDSP-VXGBXAGGSA-N 1 2 262.357 1.665 20 30 CDEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC(=C)CC1 ZINC001352093379 967092740 /nfs/dbraw/zinc/09/27/40/967092740.db2.gz JZPMCLSTHDGDNX-UHFFFAOYSA-N 1 2 298.394 1.945 20 30 CDEDLO CC[C@@H](C(=O)N1CC(C)(C#N)C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001467644134 970084796 /nfs/dbraw/zinc/08/47/96/970084796.db2.gz XHLXUVQETZJCLM-STQMWFEESA-N 1 2 279.384 1.248 20 30 CDEDLO CC[C@@H](C(=O)N1CC(C)(C#N)C1)[N@H+]1CCO[C@@H](CC)C1 ZINC001467644134 970084806 /nfs/dbraw/zinc/08/48/06/970084806.db2.gz XHLXUVQETZJCLM-STQMWFEESA-N 1 2 279.384 1.248 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@@H]1CCCCO1 ZINC001371943618 972706911 /nfs/dbraw/zinc/70/69/11/972706911.db2.gz HBLGCRJGXWROSN-LBPRGKRZSA-N 1 2 274.792 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@@H]1CCCCO1 ZINC001371943618 972706918 /nfs/dbraw/zinc/70/69/18/972706918.db2.gz HBLGCRJGXWROSN-LBPRGKRZSA-N 1 2 274.792 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ocnc1C ZINC001374478858 973970878 /nfs/dbraw/zinc/97/08/78/973970878.db2.gz JESNRIMDXKTHSG-UHFFFAOYSA-N 1 2 271.748 1.739 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ocnc1C ZINC001374478858 973970889 /nfs/dbraw/zinc/97/08/89/973970889.db2.gz JESNRIMDXKTHSG-UHFFFAOYSA-N 1 2 271.748 1.739 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cnn(C)c1C)C1CC1 ZINC001391151788 976730868 /nfs/dbraw/zinc/73/08/68/976730868.db2.gz WLTZSNVGPJWZPD-UHFFFAOYSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cnn(C)c1C)C1CC1 ZINC001391151788 976730881 /nfs/dbraw/zinc/73/08/81/976730881.db2.gz WLTZSNVGPJWZPD-UHFFFAOYSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCCn1cccn1 ZINC001381632703 976958511 /nfs/dbraw/zinc/95/85/11/976958511.db2.gz RHJDDEJMEDTUSO-CYBMUJFWSA-N 1 2 298.818 1.852 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCCn1cccn1 ZINC001381632703 976958517 /nfs/dbraw/zinc/95/85/17/976958517.db2.gz RHJDDEJMEDTUSO-CYBMUJFWSA-N 1 2 298.818 1.852 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)Cc2ccc(F)cn2)C1 ZINC001400534805 977081767 /nfs/dbraw/zinc/08/17/67/977081767.db2.gz XZDOPHYTRFTCGA-UHFFFAOYSA-N 1 2 297.761 1.564 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1nc(C)c[nH]1 ZINC001403926618 977267306 /nfs/dbraw/zinc/26/73/06/977267306.db2.gz FEMMJDDAJWHAPO-UHFFFAOYSA-N 1 2 270.764 1.522 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1nc(C)c[nH]1 ZINC001403926618 977267313 /nfs/dbraw/zinc/26/73/13/977267313.db2.gz FEMMJDDAJWHAPO-UHFFFAOYSA-N 1 2 270.764 1.522 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1csnn1 ZINC001392678216 977543231 /nfs/dbraw/zinc/54/32/31/977543231.db2.gz IBFUDDTXRHUUDH-MRVPVSSYSA-N 1 2 274.777 1.341 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1csnn1 ZINC001392678216 977543234 /nfs/dbraw/zinc/54/32/34/977543234.db2.gz IBFUDDTXRHUUDH-MRVPVSSYSA-N 1 2 274.777 1.341 20 30 CDEDLO C=CC[NH+]1CCC([NH2+]C2CC(CC(=O)[O-])C2)CC1 ZINC001588838342 984337246 /nfs/dbraw/zinc/33/72/46/984337246.db2.gz CWXHKJDGPLTHLZ-UHFFFAOYSA-N 1 2 252.358 1.480 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]Cc1nncs1 ZINC001132657856 1163419580 /nfs/dbraw/zinc/41/95/80/1163419580.db2.gz PKKFQMKAJLJRFI-SNVBAGLBSA-N 1 2 268.386 1.346 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[NH2+]Cc2nc(C3CC3)no2)C1 ZINC001133569840 1163790653 /nfs/dbraw/zinc/79/06/53/1163790653.db2.gz FNRKJKDESVORQK-UHFFFAOYSA-N 1 2 290.367 1.509 20 30 CDEDLO C=CCCC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2c[nH]nn2)C1 ZINC001575084822 1171108763 /nfs/dbraw/zinc/10/87/63/1171108763.db2.gz AAMZKLUQVHPOTG-STQMWFEESA-N 1 2 291.399 1.488 20 30 CDEDLO C=CCCC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cn[nH]n2)C1 ZINC001575084822 1171108766 /nfs/dbraw/zinc/10/87/66/1171108766.db2.gz AAMZKLUQVHPOTG-STQMWFEESA-N 1 2 291.399 1.488 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000588206840 342494175 /nfs/dbraw/zinc/49/41/75/342494175.db2.gz NKYDALNDBMABKD-UONOGXRCSA-N 1 2 276.336 1.400 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000588206840 342494176 /nfs/dbraw/zinc/49/41/76/342494176.db2.gz NKYDALNDBMABKD-UONOGXRCSA-N 1 2 276.336 1.400 20 30 CDEDLO CN(C)c1cc[nH+]c(NC(=O)c2cccc(C#N)n2)c1 ZINC000589487256 342507416 /nfs/dbraw/zinc/50/74/16/342507416.db2.gz XBCKFGMBFOGTKV-UHFFFAOYSA-N 1 2 267.292 1.667 20 30 CDEDLO C=CCN(CCC#N)c1cc(-n2cc[nH+]c2)ncn1 ZINC000589869733 342516213 /nfs/dbraw/zinc/51/62/13/342516213.db2.gz OKTVNMAXSOWQSM-UHFFFAOYSA-N 1 2 254.297 1.568 20 30 CDEDLO N#Cc1c(NCc2c[nH+]c3ccccn23)n[nH]c1C1CC1 ZINC000591416292 342630501 /nfs/dbraw/zinc/63/05/01/342630501.db2.gz OLXFYDVNPIRCJW-UHFFFAOYSA-N 1 2 278.319 1.840 20 30 CDEDLO CC[C@H]1CN(c2cc(C)[nH+]cc2C#N)C[C@H](C)S1(=O)=O ZINC000591825086 342647758 /nfs/dbraw/zinc/64/77/58/342647758.db2.gz KRABYOLDDDHEAC-AAEUAGOBSA-N 1 2 293.392 1.664 20 30 CDEDLO N#CC1CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000591833895 342648098 /nfs/dbraw/zinc/64/80/98/342648098.db2.gz OZLYECPNFVXWMC-CQSZACIVSA-N 1 2 280.331 1.914 20 30 CDEDLO CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147596 342668232 /nfs/dbraw/zinc/66/82/32/342668232.db2.gz MMHCRWOEYKPIEZ-GOEBONIOSA-N 1 2 295.427 1.668 20 30 CDEDLO CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147596 342668233 /nfs/dbraw/zinc/66/82/33/342668233.db2.gz MMHCRWOEYKPIEZ-GOEBONIOSA-N 1 2 295.427 1.668 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cncc(Br)c2)C1 ZINC000592150941 342668959 /nfs/dbraw/zinc/66/89/59/342668959.db2.gz KBKTWXMXLIRQGZ-GFCCVEGCSA-N 1 2 296.168 1.695 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cncc(Br)c2)C1 ZINC000592150941 342668960 /nfs/dbraw/zinc/66/89/60/342668960.db2.gz KBKTWXMXLIRQGZ-GFCCVEGCSA-N 1 2 296.168 1.695 20 30 CDEDLO C[C@]1(C#N)CCC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC000619049755 349605197 /nfs/dbraw/zinc/60/51/97/349605197.db2.gz QZHFPQHRTGDEQV-VXGBXAGGSA-N 1 2 256.371 1.047 20 30 CDEDLO C[C@]1(C#N)CCC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC000619049755 349605199 /nfs/dbraw/zinc/60/51/99/349605199.db2.gz QZHFPQHRTGDEQV-VXGBXAGGSA-N 1 2 256.371 1.047 20 30 CDEDLO Cn1cc(C[N@@H+]2CCC[C@](F)(CO)C2)cc1C#N ZINC000289866425 361866842 /nfs/dbraw/zinc/86/68/42/361866842.db2.gz QYVZUDATCXPHRW-CYBMUJFWSA-N 1 2 251.305 1.193 20 30 CDEDLO Cn1cc(C[N@H+]2CCC[C@](F)(CO)C2)cc1C#N ZINC000289866425 361866847 /nfs/dbraw/zinc/86/68/47/361866847.db2.gz QYVZUDATCXPHRW-CYBMUJFWSA-N 1 2 251.305 1.193 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000593521455 342806398 /nfs/dbraw/zinc/80/63/98/342806398.db2.gz IBKGSHXFNDSPLU-JHJVBQTASA-N 1 2 260.341 1.842 20 30 CDEDLO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H](C)O1 ZINC000329721244 361975392 /nfs/dbraw/zinc/97/53/92/361975392.db2.gz NANHJAJKMRUOPY-IJLUTSLNSA-N 1 2 292.383 1.680 20 30 CDEDLO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H](C)O1 ZINC000329721244 361975397 /nfs/dbraw/zinc/97/53/97/361975397.db2.gz NANHJAJKMRUOPY-IJLUTSLNSA-N 1 2 292.383 1.680 20 30 CDEDLO N#CC1(Cn2cc(Cn3cc[nH+]c3)nn2)CCCCC1 ZINC000594657416 342935866 /nfs/dbraw/zinc/93/58/66/342935866.db2.gz AVJBBOBQNZQIDP-UHFFFAOYSA-N 1 2 270.340 1.997 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000355503138 529487077 /nfs/dbraw/zinc/48/70/77/529487077.db2.gz IZSUCDHWAKRFOW-OCCSQVGLSA-N 1 2 267.373 1.105 20 30 CDEDLO CC[C@H](NC(=O)N1CCn2cc[nH+]c2C1)C1CCOCC1 ZINC000329964758 529580455 /nfs/dbraw/zinc/58/04/55/529580455.db2.gz UBRKMWPEKADSJS-ZDUSSCGKSA-N 1 2 292.383 1.818 20 30 CDEDLO COCc1noc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595621901 343111705 /nfs/dbraw/zinc/11/17/05/343111705.db2.gz ZKISVTWPOGTYLW-JTQLQIEISA-N 1 2 250.302 1.342 20 30 CDEDLO COCc1noc(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595621901 343111708 /nfs/dbraw/zinc/11/17/08/343111708.db2.gz ZKISVTWPOGTYLW-JTQLQIEISA-N 1 2 250.302 1.342 20 30 CDEDLO C[C@H]1[C@H](C)[N@H+](CC2(C#N)CC2)CCN1CC1(C#N)CC1 ZINC000595887434 343180848 /nfs/dbraw/zinc/18/08/48/343180848.db2.gz SMNSYDYBWYZNCD-KBPBESRZSA-N 1 2 272.396 1.989 20 30 CDEDLO C[C@H]1[C@H](C)[N@@H+](CC2(C#N)CC2)CCN1CC1(C#N)CC1 ZINC000595887434 343180849 /nfs/dbraw/zinc/18/08/49/343180849.db2.gz SMNSYDYBWYZNCD-KBPBESRZSA-N 1 2 272.396 1.989 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCOCC1)[NH+]1CCSCC1 ZINC000329396841 295691099 /nfs/dbraw/zinc/69/10/99/295691099.db2.gz URKXQQTZMSZNED-NSHDSACASA-N 1 2 283.397 1.453 20 30 CDEDLO CC[N@H+](CCCN1C(=O)c2ccccc2C1=O)[C@@H](C)C#N ZINC000595813364 343161836 /nfs/dbraw/zinc/16/18/36/343161836.db2.gz SYNGUWMSQMXJCX-LBPRGKRZSA-N 1 2 285.347 1.907 20 30 CDEDLO CC[N@@H+](CCCN1C(=O)c2ccccc2C1=O)[C@@H](C)C#N ZINC000595813364 343161837 /nfs/dbraw/zinc/16/18/37/343161837.db2.gz SYNGUWMSQMXJCX-LBPRGKRZSA-N 1 2 285.347 1.907 20 30 CDEDLO Cn1ncc(C#N)c1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000596076448 343226271 /nfs/dbraw/zinc/22/62/71/343226271.db2.gz QUNYZQRUJDZXAU-UHFFFAOYSA-N 1 2 298.350 1.135 20 30 CDEDLO Cc1ccc(C#N)nc1NCC[N@H+]1CCOC[C@H]1C ZINC000596113308 343230781 /nfs/dbraw/zinc/23/07/81/343230781.db2.gz UBUBDULOGHAKBQ-GFCCVEGCSA-N 1 2 260.341 1.394 20 30 CDEDLO Cc1ccc(C#N)nc1NCC[N@@H+]1CCOC[C@H]1C ZINC000596113308 343230782 /nfs/dbraw/zinc/23/07/82/343230782.db2.gz UBUBDULOGHAKBQ-GFCCVEGCSA-N 1 2 260.341 1.394 20 30 CDEDLO CC1(O)CCN(c2cc(NCCCC#N)[nH+]cn2)CC1 ZINC000596190998 343253306 /nfs/dbraw/zinc/25/33/06/343253306.db2.gz DFURVQAPTAEAIR-UHFFFAOYSA-N 1 2 275.356 1.543 20 30 CDEDLO CC1(O)CCN(c2cc(NCCCC#N)nc[nH+]2)CC1 ZINC000596190998 343253307 /nfs/dbraw/zinc/25/33/07/343253307.db2.gz DFURVQAPTAEAIR-UHFFFAOYSA-N 1 2 275.356 1.543 20 30 CDEDLO CC[N@@H+](Cc1cc(=O)n2cc(C)ccc2n1)C[C@@H](C)C#N ZINC000140439045 342433637 /nfs/dbraw/zinc/43/36/37/342433637.db2.gz JPOTXBUGRWMMSN-ZDUSSCGKSA-N 1 2 284.363 1.985 20 30 CDEDLO CC[N@H+](Cc1cc(=O)n2cc(C)ccc2n1)C[C@@H](C)C#N ZINC000140439045 342433638 /nfs/dbraw/zinc/43/36/38/342433638.db2.gz JPOTXBUGRWMMSN-ZDUSSCGKSA-N 1 2 284.363 1.985 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cc(C)c(C(=O)OC)o2)nn1 ZINC000597157078 343463044 /nfs/dbraw/zinc/46/30/44/343463044.db2.gz QKPDGBDENKYULM-UHFFFAOYSA-N 1 2 290.323 1.442 20 30 CDEDLO CN1CCOC[C@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000329004212 529780955 /nfs/dbraw/zinc/78/09/55/529780955.db2.gz YGDMVDPDPPHAIM-LBPRGKRZSA-N 1 2 274.324 1.121 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)c2sccc2C#N)[C@@H](C)CO1 ZINC000597999921 343685747 /nfs/dbraw/zinc/68/57/47/343685747.db2.gz SZGNTZPHWGYARI-QWRGUYRKSA-N 1 2 293.392 1.459 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)c2sccc2C#N)[C@@H](C)CO1 ZINC000597999921 343685749 /nfs/dbraw/zinc/68/57/49/343685749.db2.gz SZGNTZPHWGYARI-QWRGUYRKSA-N 1 2 293.392 1.459 20 30 CDEDLO C[C@H](C#N)N(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000598132199 343723216 /nfs/dbraw/zinc/72/32/16/343723216.db2.gz RIAOZFITVLHRIU-MNOVXSKESA-N 1 2 258.325 1.349 20 30 CDEDLO C=C[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)C(=O)OC ZINC000619703920 349859947 /nfs/dbraw/zinc/85/99/47/349859947.db2.gz UJQRXNFXDDAVEH-RYUDHWBXSA-N 1 2 253.342 1.795 20 30 CDEDLO CCN(C(=O)Cc1cn2cccc(C)c2[nH+]1)[C@@H](C)C#N ZINC000598356470 343774941 /nfs/dbraw/zinc/77/49/41/343774941.db2.gz PFXNXXUWLXYSOR-LBPRGKRZSA-N 1 2 270.336 1.946 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CCC)C1 ZINC000619717092 349867877 /nfs/dbraw/zinc/86/78/77/349867877.db2.gz SRPQIXIBWLBZFJ-HZSPNIEDSA-N 1 2 296.411 1.731 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](C(=O)N[C@H](C)CCC)C1 ZINC000619717092 349867880 /nfs/dbraw/zinc/86/78/80/349867880.db2.gz SRPQIXIBWLBZFJ-HZSPNIEDSA-N 1 2 296.411 1.731 20 30 CDEDLO Cc1nc([C@H]2C[N@H+](C[C@H](O)CC(C)(C)C#N)CCO2)no1 ZINC000598591207 343837304 /nfs/dbraw/zinc/83/73/04/343837304.db2.gz WHITYYHNLJZOMJ-VXGBXAGGSA-N 1 2 294.355 1.052 20 30 CDEDLO Cc1nc([C@H]2C[N@@H+](C[C@H](O)CC(C)(C)C#N)CCO2)no1 ZINC000598591207 343837306 /nfs/dbraw/zinc/83/73/06/343837306.db2.gz WHITYYHNLJZOMJ-VXGBXAGGSA-N 1 2 294.355 1.052 20 30 CDEDLO N#Cc1cc(-c2ccc(NCCCCO)[nH+]c2)ccc1O ZINC000600780275 349880996 /nfs/dbraw/zinc/88/09/96/349880996.db2.gz PZKAHIWNVCZWOL-UHFFFAOYSA-N 1 2 283.331 1.932 20 30 CDEDLO Cc1ccccc1COCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000598836481 343914491 /nfs/dbraw/zinc/91/44/91/343914491.db2.gz KJFNGSALIYNRTO-MRXNPFEDSA-N 1 2 289.379 1.472 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccns1 ZINC000602425701 344421656 /nfs/dbraw/zinc/42/16/56/344421656.db2.gz TZTNYJATALTKLK-UHFFFAOYSA-N 1 2 280.397 1.191 20 30 CDEDLO C[C@H](CCC#N)CNc1ccc(-n2cncn2)c[nH+]1 ZINC000602632547 344507628 /nfs/dbraw/zinc/50/76/28/344507628.db2.gz VLKVCAMPLYFXGB-LLVKDONJSA-N 1 2 256.313 1.436 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cccc(C#N)n2)C1=O ZINC000602650581 344516202 /nfs/dbraw/zinc/51/62/02/344516202.db2.gz YVEBDTMBSNOHII-AWEZNQCLSA-N 1 2 270.336 1.172 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cccc(C#N)n2)C1=O ZINC000602650581 344516203 /nfs/dbraw/zinc/51/62/03/344516203.db2.gz YVEBDTMBSNOHII-AWEZNQCLSA-N 1 2 270.336 1.172 20 30 CDEDLO C=CC[N@@H+](CCC#N)C[C@@H](OC)C1CCOCC1 ZINC000602674442 344524499 /nfs/dbraw/zinc/52/44/99/344524499.db2.gz XQZLKALCHHACCY-CQSZACIVSA-N 1 2 252.358 1.830 20 30 CDEDLO C=CC[N@H+](CCC#N)C[C@@H](OC)C1CCOCC1 ZINC000602674442 344524500 /nfs/dbraw/zinc/52/45/00/344524500.db2.gz XQZLKALCHHACCY-CQSZACIVSA-N 1 2 252.358 1.830 20 30 CDEDLO CC1(O)C[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000602689734 344538742 /nfs/dbraw/zinc/53/87/42/344538742.db2.gz ZINIVNLPIRSBOE-UHFFFAOYSA-N 1 2 297.362 1.425 20 30 CDEDLO C=C(C)C[C@H](N[C@@H](c1[nH+]ccn1C)C1CC1)C(=O)OC ZINC000602738548 344556683 /nfs/dbraw/zinc/55/66/83/344556683.db2.gz MLWRFQXNUWZLCC-QWHCGFSZSA-N 1 2 277.368 1.969 20 30 CDEDLO Cc1cccc2ncc(C[NH+]3CCN(CCC#N)CC3)n21 ZINC000602748501 344562583 /nfs/dbraw/zinc/56/25/83/344562583.db2.gz NFQDNZDITXKTIJ-UHFFFAOYSA-N 1 2 283.379 1.674 20 30 CDEDLO Cc1cccn2c(CN3CCN(CCC#N)CC3)c[nH+]c12 ZINC000602748713 344562727 /nfs/dbraw/zinc/56/27/27/344562727.db2.gz QXNSSLCCZHEPNY-UHFFFAOYSA-N 1 2 283.379 1.674 20 30 CDEDLO COc1cc(C[NH+]2CCN(CCC#N)CC2)ccc1C#N ZINC000602748933 344562836 /nfs/dbraw/zinc/56/28/36/344562836.db2.gz XITLFWWSKSSUOV-UHFFFAOYSA-N 1 2 284.363 1.598 20 30 CDEDLO N#CCC1(C[N@@H+]2CCc3ccccc3[C@H]2C(N)=O)CC1 ZINC000602791625 344584886 /nfs/dbraw/zinc/58/48/86/344584886.db2.gz GPGIQMPOXOWAHO-AWEZNQCLSA-N 1 2 269.348 1.765 20 30 CDEDLO N#CCC1(C[N@H+]2CCc3ccccc3[C@H]2C(N)=O)CC1 ZINC000602791625 344584887 /nfs/dbraw/zinc/58/48/87/344584887.db2.gz GPGIQMPOXOWAHO-AWEZNQCLSA-N 1 2 269.348 1.765 20 30 CDEDLO N#CCC1(C[N@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)CC1 ZINC000602828160 344612492 /nfs/dbraw/zinc/61/24/92/344612492.db2.gz RFSARFRMXVYUAD-SNVBAGLBSA-N 1 2 262.313 1.648 20 30 CDEDLO N#CCC1(C[N@@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)CC1 ZINC000602828160 344612494 /nfs/dbraw/zinc/61/24/94/344612494.db2.gz RFSARFRMXVYUAD-SNVBAGLBSA-N 1 2 262.313 1.648 20 30 CDEDLO Cc1cccc(OCCNC(=O)[C@H](C)[NH2+][C@@H](C)CC#N)c1 ZINC000602863337 344624924 /nfs/dbraw/zinc/62/49/24/344624924.db2.gz OQGICIWOJLBAIU-KBPBESRZSA-N 1 2 289.379 1.770 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000602865383 344638364 /nfs/dbraw/zinc/63/83/64/344638364.db2.gz XSRDDTNLWHEMPU-XQQFMLRXSA-N 1 2 251.374 1.915 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)NC(=O)NC1CCCCC1 ZINC000602867459 344639616 /nfs/dbraw/zinc/63/96/16/344639616.db2.gz CFEVHHAXABAXPV-WDEREUQCSA-N 1 2 280.372 1.425 20 30 CDEDLO Cc1csc2nc(C[NH2+][C@@H](C)CC#N)cc(=O)n12 ZINC000602869304 344640267 /nfs/dbraw/zinc/64/02/67/344640267.db2.gz NHQXWSVRBZPYJR-QMMMGPOBSA-N 1 2 262.338 1.456 20 30 CDEDLO COC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)CC#N ZINC000602869854 344640416 /nfs/dbraw/zinc/64/04/16/344640416.db2.gz PSYUTPGHWNMUKO-JTQLQIEISA-N 1 2 275.308 1.303 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(Br)cn1 ZINC000602870788 344641235 /nfs/dbraw/zinc/64/12/35/344641235.db2.gz XCEFNPVQJNQIFY-MRVPVSSYSA-N 1 2 297.156 1.674 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(C#N)cc2Cl)nn1 ZINC000603227302 344739288 /nfs/dbraw/zinc/73/92/88/344739288.db2.gz RTKBUWWDZGIBNF-UHFFFAOYSA-N 1 2 299.765 1.964 20 30 CDEDLO C[C@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)CC[S@]1=O ZINC000537617884 282375352 /nfs/dbraw/zinc/37/53/52/282375352.db2.gz JPBXZVZVLAWXTN-PRWKNARSSA-N 1 2 288.376 1.159 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1cnn(CC)c1 ZINC000072983172 345394686 /nfs/dbraw/zinc/39/46/86/345394686.db2.gz GBRDCJDSRUETHI-CYBMUJFWSA-N 1 2 291.399 1.343 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1cnn(CC)c1 ZINC000072983172 345394689 /nfs/dbraw/zinc/39/46/89/345394689.db2.gz GBRDCJDSRUETHI-CYBMUJFWSA-N 1 2 291.399 1.343 20 30 CDEDLO COc1cccc(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)n1 ZINC000609577957 345816464 /nfs/dbraw/zinc/81/64/64/345816464.db2.gz MADZQWVIGIHYMD-HNNXBMFYSA-N 1 2 288.395 1.756 20 30 CDEDLO C[N@H+](CCN1CCCC1=O)Cc1ccccc1C#N ZINC000609578182 345816513 /nfs/dbraw/zinc/81/65/13/345816513.db2.gz ASHZJSYCLBZQFC-UHFFFAOYSA-N 1 2 257.337 1.612 20 30 CDEDLO C[N@@H+](CCN1CCCC1=O)Cc1ccccc1C#N ZINC000609578182 345816515 /nfs/dbraw/zinc/81/65/15/345816515.db2.gz ASHZJSYCLBZQFC-UHFFFAOYSA-N 1 2 257.337 1.612 20 30 CDEDLO COCC[N@H+](CCC#N)Cc1ccc(OC)c(C#N)c1 ZINC000087829083 345837178 /nfs/dbraw/zinc/83/71/78/345837178.db2.gz VHHJUKLDENHIAX-UHFFFAOYSA-N 1 2 273.336 1.929 20 30 CDEDLO COCC[N@@H+](CCC#N)Cc1ccc(OC)c(C#N)c1 ZINC000087829083 345837182 /nfs/dbraw/zinc/83/71/82/345837182.db2.gz VHHJUKLDENHIAX-UHFFFAOYSA-N 1 2 273.336 1.929 20 30 CDEDLO N#CCNC(=O)C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000609800410 346002313 /nfs/dbraw/zinc/00/23/13/346002313.db2.gz FWGRCOUUBIKSEG-CYBMUJFWSA-N 1 2 275.377 1.416 20 30 CDEDLO N#CCNC(=O)C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000609800410 346002316 /nfs/dbraw/zinc/00/23/16/346002316.db2.gz FWGRCOUUBIKSEG-CYBMUJFWSA-N 1 2 275.377 1.416 20 30 CDEDLO N#CC1(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCC1 ZINC000609873429 346027946 /nfs/dbraw/zinc/02/79/46/346027946.db2.gz PMIQIACABLKAGU-ZDUSSCGKSA-N 1 2 277.368 1.003 20 30 CDEDLO CCCC[C@@H](C(=O)OC)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000610391049 346270348 /nfs/dbraw/zinc/27/03/48/346270348.db2.gz MLCSFMUPWXVJRK-LSDHHAIUSA-N 1 2 295.427 1.884 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000610490336 346293721 /nfs/dbraw/zinc/29/37/21/346293721.db2.gz AEGIKILYADUVAL-GFCCVEGCSA-N 1 2 269.308 1.560 20 30 CDEDLO C=CCC[C@@H]([NH2+]CC1=CCCOC1)C(=O)OCC ZINC000449654918 362764529 /nfs/dbraw/zinc/76/45/29/362764529.db2.gz FXMKDQCHRDFMCX-CYBMUJFWSA-N 1 2 253.342 1.821 20 30 CDEDLO CC(C)CN(C(=O)C[NH+]1CCN(CCC#N)CC1)C1CC1 ZINC000611173875 346627294 /nfs/dbraw/zinc/62/72/94/346627294.db2.gz PCJBIYHCZMPABN-UHFFFAOYSA-N 1 2 292.427 1.165 20 30 CDEDLO C=C[C@](C)(O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000612348083 347124673 /nfs/dbraw/zinc/12/46/73/347124673.db2.gz URURFHJPNXOYCS-OBJOEFQTSA-N 1 2 263.341 1.230 20 30 CDEDLO C=CC[N@@H+](CCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000068830390 347567777 /nfs/dbraw/zinc/56/77/77/347567777.db2.gz ILKOUNDSJOIDBO-CQSZACIVSA-N 1 2 297.424 1.175 20 30 CDEDLO C=CC[N@H+](CCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000068830390 347567779 /nfs/dbraw/zinc/56/77/79/347567779.db2.gz ILKOUNDSJOIDBO-CQSZACIVSA-N 1 2 297.424 1.175 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccnc2ccccc21 ZINC000573799608 334966744 /nfs/dbraw/zinc/96/67/44/334966744.db2.gz FCOSNWHGQCJKLM-MRXNPFEDSA-N 1 2 282.347 1.808 20 30 CDEDLO C=CCC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCCC1 ZINC000619108434 348324791 /nfs/dbraw/zinc/32/47/91/348324791.db2.gz WASZPWQABNVHIE-LBPRGKRZSA-N 1 2 252.358 1.322 20 30 CDEDLO C=CCC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCC1 ZINC000619108434 348324792 /nfs/dbraw/zinc/32/47/92/348324792.db2.gz WASZPWQABNVHIE-LBPRGKRZSA-N 1 2 252.358 1.322 20 30 CDEDLO CC[C@@H](C(=O)N=c1[nH][nH]c(C)c1C#N)[NH+](CC)CC ZINC000601678148 349989682 /nfs/dbraw/zinc/98/96/82/349989682.db2.gz CZZHJOWOJDIFNG-NSHDSACASA-N 1 2 263.345 1.071 20 30 CDEDLO CC(C)(C)[C@@H](C#N)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000615768513 348714233 /nfs/dbraw/zinc/71/42/33/348714233.db2.gz BZJIKDKEYIUFCV-GHMZBOCLSA-N 1 2 260.341 1.500 20 30 CDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000073771549 350034204 /nfs/dbraw/zinc/03/42/04/350034204.db2.gz DRHUPOXATFLYNM-ZDUSSCGKSA-N 1 2 298.390 1.347 20 30 CDEDLO C=CCCOCC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000620205152 350091274 /nfs/dbraw/zinc/09/12/74/350091274.db2.gz WTRHACNCPHJGKF-UHFFFAOYSA-N 1 2 273.336 1.852 20 30 CDEDLO N#Cc1cccc(C[NH2+][C@H](CCO)c2ccco2)n1 ZINC000602612026 350132572 /nfs/dbraw/zinc/13/25/72/350132572.db2.gz QQUMJIRHTXMJEF-CYBMUJFWSA-N 1 2 257.293 1.760 20 30 CDEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1cc(C)c(C#N)cn1 ZINC000603138652 350215429 /nfs/dbraw/zinc/21/54/29/350215429.db2.gz URNAADNXHCQGDK-NSHDSACASA-N 1 2 298.350 1.783 20 30 CDEDLO COCC[N@H+](C)Cc1cn(Cc2ccc(C#N)c(C)c2)nn1 ZINC000603233864 350232958 /nfs/dbraw/zinc/23/29/58/350232958.db2.gz DOPXBZPPZFVPMF-UHFFFAOYSA-N 1 2 299.378 1.585 20 30 CDEDLO COCC[N@@H+](C)Cc1cn(Cc2ccc(C#N)c(C)c2)nn1 ZINC000603233864 350232960 /nfs/dbraw/zinc/23/29/60/350232960.db2.gz DOPXBZPPZFVPMF-UHFFFAOYSA-N 1 2 299.378 1.585 20 30 CDEDLO N#Cc1ccc(CNC(=O)CCCn2cc[nH+]c2)cc1 ZINC000604453333 350365322 /nfs/dbraw/zinc/36/53/22/350365322.db2.gz MMXBVJMTZPUECT-UHFFFAOYSA-N 1 2 268.320 1.851 20 30 CDEDLO C=CC[N@H+](CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361568 180368498 /nfs/dbraw/zinc/36/84/98/180368498.db2.gz CTIICSGHGKVNNG-CYBMUJFWSA-N 1 2 271.382 1.008 20 30 CDEDLO C=CC[N@@H+](CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361568 180368499 /nfs/dbraw/zinc/36/84/99/180368499.db2.gz CTIICSGHGKVNNG-CYBMUJFWSA-N 1 2 271.382 1.008 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)no1 ZINC000292063866 198149753 /nfs/dbraw/zinc/14/97/53/198149753.db2.gz CGCFXEBSRAGWSO-CQSZACIVSA-N 1 2 284.319 1.903 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)no1 ZINC000292063866 198149754 /nfs/dbraw/zinc/14/97/54/198149754.db2.gz CGCFXEBSRAGWSO-CQSZACIVSA-N 1 2 284.319 1.903 20 30 CDEDLO CCc1ccc(C#CC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000292380193 198266223 /nfs/dbraw/zinc/26/62/23/198266223.db2.gz BCGVMMOZSDPSJY-UHFFFAOYSA-N 1 2 286.375 1.049 20 30 CDEDLO C=CCN(CC=C)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000154666076 188156124 /nfs/dbraw/zinc/15/61/24/188156124.db2.gz HGPAPYACVZHKAV-UHFFFAOYSA-N 1 2 273.336 1.838 20 30 CDEDLO N#Cc1cc(N2CCn3c[nH+]cc3C2)cc(N)c1[N+](=O)[O-] ZINC000368175057 283108336 /nfs/dbraw/zinc/10/83/36/283108336.db2.gz IIVZXERCAVIECZ-UHFFFAOYSA-N 1 2 284.279 1.265 20 30 CDEDLO Cc1[nH]c2ccc(Cn3cnc(C#N)c3C#N)cc2[nH+]1 ZINC000342683544 356109842 /nfs/dbraw/zinc/10/98/42/356109842.db2.gz ZXAFSNMRNZLHMV-UHFFFAOYSA-N 1 2 262.276 1.859 20 30 CDEDLO Cc1[nH]c2cc(Cn3cnc(C#N)c3C#N)ccc2[nH+]1 ZINC000342683544 356109844 /nfs/dbraw/zinc/10/98/44/356109844.db2.gz ZXAFSNMRNZLHMV-UHFFFAOYSA-N 1 2 262.276 1.859 20 30 CDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cccc(F)c1C#N ZINC000286437642 356411362 /nfs/dbraw/zinc/41/13/62/356411362.db2.gz SIVGGNKBZOMQJC-CHWSQXEVSA-N 1 2 289.354 1.997 20 30 CDEDLO C=CCCn1cc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)nn1 ZINC000644622680 366274178 /nfs/dbraw/zinc/27/41/78/366274178.db2.gz UNJBFOZHVWRAKN-UHFFFAOYSA-N 1 2 299.334 1.153 20 30 CDEDLO CC(=O)N1CC[N@H+](Cc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000578450476 356656403 /nfs/dbraw/zinc/65/64/03/356656403.db2.gz BVURGJTXHDIVHK-NSHDSACASA-N 1 2 258.325 1.006 20 30 CDEDLO CC(=O)N1CC[N@@H+](Cc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000578450476 356656406 /nfs/dbraw/zinc/65/64/06/356656406.db2.gz BVURGJTXHDIVHK-NSHDSACASA-N 1 2 258.325 1.006 20 30 CDEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](O)[C@H]2C)c(C#N)c1C ZINC000590762328 358511739 /nfs/dbraw/zinc/51/17/39/358511739.db2.gz STQBBKMWUSPHPR-BXKDBHETSA-N 1 2 293.392 1.630 20 30 CDEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](O)[C@H]2C)c(C#N)c1C ZINC000590762328 358511742 /nfs/dbraw/zinc/51/17/42/358511742.db2.gz STQBBKMWUSPHPR-BXKDBHETSA-N 1 2 293.392 1.630 20 30 CDEDLO CC1(C)C[N@H+](Cc2cn3ccccc3c2C#N)C[C@H](CO)O1 ZINC000319310183 357177714 /nfs/dbraw/zinc/17/77/14/357177714.db2.gz YLLYRVJWPANLCS-CQSZACIVSA-N 1 2 299.374 1.783 20 30 CDEDLO CC1(C)C[N@@H+](Cc2cn3ccccc3c2C#N)C[C@H](CO)O1 ZINC000319310183 357177718 /nfs/dbraw/zinc/17/77/18/357177718.db2.gz YLLYRVJWPANLCS-CQSZACIVSA-N 1 2 299.374 1.783 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCc1c[nH+]ccc1OC ZINC000294632090 199115224 /nfs/dbraw/zinc/11/52/24/199115224.db2.gz PKIMQLMJXDVOMN-HNNXBMFYSA-N 1 2 278.352 1.935 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)cn1 ZINC000337670920 358104446 /nfs/dbraw/zinc/10/44/46/358104446.db2.gz VYDKPJAEJUBMEJ-HNNXBMFYSA-N 1 2 293.330 1.135 20 30 CDEDLO CC(C)(C#N)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000157377077 358219903 /nfs/dbraw/zinc/21/99/03/358219903.db2.gz LADSBDXBXZUVAN-ZDUSSCGKSA-N 1 2 279.384 1.249 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1ccsc1 ZINC000493467796 366389596 /nfs/dbraw/zinc/38/95/96/366389596.db2.gz UDAOWJQRYSMPPK-MUBLQREKSA-N 1 2 263.366 1.721 20 30 CDEDLO C[N@H+]([C@H](C(N)=O)c1ccc(C#N)cc1)C1CC(O)C1 ZINC000332479459 358755566 /nfs/dbraw/zinc/75/55/66/358755566.db2.gz UZEYGWYWEJKZJL-BPCQOVAHSA-N 1 2 259.309 1.590 20 30 CDEDLO C[N@@H+]([C@H](C(N)=O)c1ccc(C#N)cc1)C1CC(O)C1 ZINC000332479459 358755573 /nfs/dbraw/zinc/75/55/73/358755573.db2.gz UZEYGWYWEJKZJL-BPCQOVAHSA-N 1 2 259.309 1.590 20 30 CDEDLO C=C(Br)C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000185111741 358772642 /nfs/dbraw/zinc/77/26/42/358772642.db2.gz ZFQNBRZGPNLYHX-PRHODGIISA-N 1 2 254.193 1.594 20 30 CDEDLO C=C(Br)C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000185111741 358772644 /nfs/dbraw/zinc/77/26/44/358772644.db2.gz ZFQNBRZGPNLYHX-PRHODGIISA-N 1 2 254.193 1.594 20 30 CDEDLO C[C@@H](CNC(=O)c1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000029958023 358836198 /nfs/dbraw/zinc/83/61/98/358836198.db2.gz WWCXDGGBKDCMBX-LBPRGKRZSA-N 1 2 273.336 1.009 20 30 CDEDLO Cn1c[nH+]cc1CNc1cc(C#N)c2ccccc2n1 ZINC000357603982 359077180 /nfs/dbraw/zinc/07/71/80/359077180.db2.gz RGOXULOWHIEAGD-UHFFFAOYSA-N 1 2 263.304 1.874 20 30 CDEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@H]2CC[C@H](C)C2)c1C#N ZINC000540657722 359080973 /nfs/dbraw/zinc/08/09/73/359080973.db2.gz KITIHNDUNPBUCX-QWRGUYRKSA-N 1 2 289.383 1.230 20 30 CDEDLO C=CC[N@@H+](CC(=O)NC(=O)NCCC)Cc1cccs1 ZINC000078955514 359062755 /nfs/dbraw/zinc/06/27/55/359062755.db2.gz HYUQHOYEQXYDLO-UHFFFAOYSA-N 1 2 295.408 1.972 20 30 CDEDLO C=CC[N@H+](CC(=O)NC(=O)NCCC)Cc1cccs1 ZINC000078955514 359062760 /nfs/dbraw/zinc/06/27/60/359062760.db2.gz HYUQHOYEQXYDLO-UHFFFAOYSA-N 1 2 295.408 1.972 20 30 CDEDLO C#CC[NH+](CC#C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269638041 359374219 /nfs/dbraw/zinc/37/42/19/359374219.db2.gz IBCNJODEHPXANI-CQSZACIVSA-N 1 2 258.277 1.197 20 30 CDEDLO CC#CCNC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000270595108 359402354 /nfs/dbraw/zinc/40/23/54/359402354.db2.gz UIYIQQOMCBXUFQ-UHFFFAOYSA-N 1 2 270.336 1.667 20 30 CDEDLO C=CCCOCCNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000270535433 359405653 /nfs/dbraw/zinc/40/56/53/359405653.db2.gz WGHXMTWSUHJBQY-ZDUSSCGKSA-N 1 2 292.383 1.891 20 30 CDEDLO Cc1[nH]ncc1C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000571316085 359558887 /nfs/dbraw/zinc/55/88/87/359558887.db2.gz SSQYNMHZWQMFFW-AWEZNQCLSA-N 1 2 286.335 1.119 20 30 CDEDLO CC#CC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000277367825 359560176 /nfs/dbraw/zinc/56/01/76/359560176.db2.gz GGQMFPJZTJLRCQ-UHFFFAOYSA-N 1 2 272.348 1.363 20 30 CDEDLO CS(=O)(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1 ZINC000340217177 359612375 /nfs/dbraw/zinc/61/23/75/359612375.db2.gz PUIIOIVTQPMAIK-UHFFFAOYSA-N 1 2 293.392 1.072 20 30 CDEDLO CS(=O)(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC000340217177 359612378 /nfs/dbraw/zinc/61/23/78/359612378.db2.gz PUIIOIVTQPMAIK-UHFFFAOYSA-N 1 2 293.392 1.072 20 30 CDEDLO CCS(=O)(=O)CC[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000118394915 359773721 /nfs/dbraw/zinc/77/37/21/359773721.db2.gz YXRYJKIBUSUOIQ-LBPRGKRZSA-N 1 2 280.393 1.986 20 30 CDEDLO CCS(=O)(=O)CC[N@@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000118394915 359773724 /nfs/dbraw/zinc/77/37/24/359773724.db2.gz YXRYJKIBUSUOIQ-LBPRGKRZSA-N 1 2 280.393 1.986 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)C1=O ZINC000337159094 360014159 /nfs/dbraw/zinc/01/41/59/360014159.db2.gz RJXMJLCXRGAWKZ-OLZOCXBDSA-N 1 2 294.395 1.579 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)C1=O ZINC000337159094 360014165 /nfs/dbraw/zinc/01/41/65/360014165.db2.gz RJXMJLCXRGAWKZ-OLZOCXBDSA-N 1 2 294.395 1.579 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2c(C)nc3ccccn32)C1=O ZINC000337201318 360022937 /nfs/dbraw/zinc/02/29/37/360022937.db2.gz CSTHXFWVGFJRCX-AWEZNQCLSA-N 1 2 298.390 1.861 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2c(C)nc3ccccn32)C1=O ZINC000337201318 360022942 /nfs/dbraw/zinc/02/29/42/360022942.db2.gz CSTHXFWVGFJRCX-AWEZNQCLSA-N 1 2 298.390 1.861 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)NCCCC)C1=O ZINC000337203613 360025262 /nfs/dbraw/zinc/02/52/62/360025262.db2.gz GRSTYNKBFXGWLJ-QWHCGFSZSA-N 1 2 281.400 1.010 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)NCCCC)C1=O ZINC000337203613 360025264 /nfs/dbraw/zinc/02/52/64/360025264.db2.gz GRSTYNKBFXGWLJ-QWHCGFSZSA-N 1 2 281.400 1.010 20 30 CDEDLO N#CCCC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000335497902 360268842 /nfs/dbraw/zinc/26/88/42/360268842.db2.gz WULQUGGXYPIVBK-CQSZACIVSA-N 1 2 286.379 1.988 20 30 CDEDLO CCOCCCNC(=O)[C@@H](C)[N@H+](CC)CCC#N ZINC000348554267 360395910 /nfs/dbraw/zinc/39/59/10/360395910.db2.gz QQTHWDFMYJTUAK-GFCCVEGCSA-N 1 2 255.362 1.153 20 30 CDEDLO CCOCCCNC(=O)[C@@H](C)[N@@H+](CC)CCC#N ZINC000348554267 360395916 /nfs/dbraw/zinc/39/59/16/360395916.db2.gz QQTHWDFMYJTUAK-GFCCVEGCSA-N 1 2 255.362 1.153 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177784847 189068864 /nfs/dbraw/zinc/06/88/64/189068864.db2.gz UIMNGKVYSXAEDJ-LLVKDONJSA-N 1 2 291.420 1.592 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177784847 189068865 /nfs/dbraw/zinc/06/88/65/189068865.db2.gz UIMNGKVYSXAEDJ-LLVKDONJSA-N 1 2 291.420 1.592 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@](C)(O)C2)c(C#N)c1C ZINC000177972799 189082087 /nfs/dbraw/zinc/08/20/87/189082087.db2.gz NNSJVVPAPPWYNS-CQSZACIVSA-N 1 2 277.324 1.163 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@](C)(O)C2)c(C#N)c1C ZINC000177972799 189082088 /nfs/dbraw/zinc/08/20/88/189082088.db2.gz NNSJVVPAPPWYNS-CQSZACIVSA-N 1 2 277.324 1.163 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000112560585 360540498 /nfs/dbraw/zinc/54/04/98/360540498.db2.gz PAJQLLGRJUKLDQ-JKSUJKDBSA-N 1 2 290.411 1.474 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000112560585 360540502 /nfs/dbraw/zinc/54/05/02/360540502.db2.gz PAJQLLGRJUKLDQ-JKSUJKDBSA-N 1 2 290.411 1.474 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000245986445 360780579 /nfs/dbraw/zinc/78/05/79/360780579.db2.gz HIZWIWBHHMJZCC-WDEREUQCSA-N 1 2 294.317 1.431 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000245986445 360780584 /nfs/dbraw/zinc/78/05/84/360780584.db2.gz HIZWIWBHHMJZCC-WDEREUQCSA-N 1 2 294.317 1.431 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000562322875 361279817 /nfs/dbraw/zinc/27/98/17/361279817.db2.gz UTCSVDZYAVXQIB-NSHDSACASA-N 1 2 282.325 1.230 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc(Cl)c1 ZINC000435533969 361411587 /nfs/dbraw/zinc/41/15/87/361411587.db2.gz KYCQHFFSJXAEHP-LBPRGKRZSA-N 1 2 268.744 1.925 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc(Cl)c1 ZINC000435533969 361411589 /nfs/dbraw/zinc/41/15/89/361411589.db2.gz KYCQHFFSJXAEHP-LBPRGKRZSA-N 1 2 268.744 1.925 20 30 CDEDLO N#Cc1ccc(NCc2cc[nH+]c(N3CCCC3)c2)nn1 ZINC000301866491 201239841 /nfs/dbraw/zinc/23/98/41/201239841.db2.gz BNNJNZFNKDXLNO-UHFFFAOYSA-N 1 2 280.335 1.956 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ncccc2Cl)nn1 ZINC000641053536 364899877 /nfs/dbraw/zinc/89/98/77/364899877.db2.gz IZWORAGRAAXWNL-UHFFFAOYSA-N 1 2 275.743 1.488 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1scnc1C ZINC000171751073 365377794 /nfs/dbraw/zinc/37/77/94/365377794.db2.gz AIRSQIGSBMGXKZ-UHFFFAOYSA-N 1 2 280.397 1.646 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1scnc1C ZINC000171751073 365377799 /nfs/dbraw/zinc/37/77/99/365377799.db2.gz AIRSQIGSBMGXKZ-UHFFFAOYSA-N 1 2 280.397 1.646 20 30 CDEDLO C[C@@H](O)C(=O)N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000270900483 366942522 /nfs/dbraw/zinc/94/25/22/366942522.db2.gz QZKLEMSWKROXPR-QWHCGFSZSA-N 1 2 287.363 1.144 20 30 CDEDLO N#Cc1ccccc1C[NH+]1CCN(c2cccnn2)CC1 ZINC000170650015 367527743 /nfs/dbraw/zinc/52/77/43/367527743.db2.gz XZQPAEXNPZTCPV-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO C[C@H](C(=O)N1CCC(C)CC1)[N@@H+](C)C[C@H](C)C#N ZINC000358509350 367736233 /nfs/dbraw/zinc/73/62/33/367736233.db2.gz PZLBXMODEAFIPS-CHWSQXEVSA-N 1 2 251.374 1.725 20 30 CDEDLO C[C@H](C(=O)N1CCC(C)CC1)[N@H+](C)C[C@H](C)C#N ZINC000358509350 367736242 /nfs/dbraw/zinc/73/62/42/367736242.db2.gz PZLBXMODEAFIPS-CHWSQXEVSA-N 1 2 251.374 1.725 20 30 CDEDLO CC#CCCNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000361676093 368978654 /nfs/dbraw/zinc/97/86/54/368978654.db2.gz RPLOOSGPRNOWHF-UHFFFAOYSA-N 1 2 291.420 1.989 20 30 CDEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1c(C)nn(C)c1C ZINC000362049272 369086187 /nfs/dbraw/zinc/08/61/87/369086187.db2.gz UHWVOXMZVZDPJT-UHFFFAOYSA-N 1 2 280.372 1.110 20 30 CDEDLO C=CC[N@H+](CCOC)CC(=O)Nc1c(C)nn(C)c1C ZINC000362049272 369086191 /nfs/dbraw/zinc/08/61/91/369086191.db2.gz UHWVOXMZVZDPJT-UHFFFAOYSA-N 1 2 280.372 1.110 20 30 CDEDLO CC[N@H+](CCC#N)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000131588851 369123403 /nfs/dbraw/zinc/12/34/03/369123403.db2.gz NVYJVLYPCUIYNM-UHFFFAOYSA-N 1 2 295.408 1.672 20 30 CDEDLO CC[N@@H+](CCC#N)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000131588851 369123411 /nfs/dbraw/zinc/12/34/11/369123411.db2.gz NVYJVLYPCUIYNM-UHFFFAOYSA-N 1 2 295.408 1.672 20 30 CDEDLO C#CC[N@H+](Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000072971802 369153173 /nfs/dbraw/zinc/15/31/73/369153173.db2.gz KQCABHAQGBERLJ-CQSZACIVSA-N 1 2 263.362 1.309 20 30 CDEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000072971802 369153180 /nfs/dbraw/zinc/15/31/80/369153180.db2.gz KQCABHAQGBERLJ-CQSZACIVSA-N 1 2 263.362 1.309 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000131729356 369146537 /nfs/dbraw/zinc/14/65/37/369146537.db2.gz HGKMYPOWHZLSGR-UHFFFAOYSA-N 1 2 261.300 1.608 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000338354349 284121249 /nfs/dbraw/zinc/12/12/49/284121249.db2.gz FGOFVLDOQGBCPG-HUBLWGQQSA-N 1 2 288.347 1.882 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000338354349 284121254 /nfs/dbraw/zinc/12/12/54/284121254.db2.gz FGOFVLDOQGBCPG-HUBLWGQQSA-N 1 2 288.347 1.882 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCc1[nH]c[nH+]c1C ZINC000276129893 193220929 /nfs/dbraw/zinc/22/09/29/193220929.db2.gz CECKWAIVXUWIPJ-CYBMUJFWSA-N 1 2 251.330 1.563 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000565108899 370354458 /nfs/dbraw/zinc/35/44/58/370354458.db2.gz XDGNEMBCNMTVDI-CYBMUJFWSA-N 1 2 251.330 1.397 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc2c(s1)CCC2 ZINC000565483816 370456743 /nfs/dbraw/zinc/45/67/43/370456743.db2.gz CLKGJDSERKFSFG-CQSZACIVSA-N 1 2 277.393 1.810 20 30 CDEDLO COC(=O)[C@H]1CCCC[N@@H+]1CCOc1ccccc1C#N ZINC000193741264 372053673 /nfs/dbraw/zinc/05/36/73/372053673.db2.gz YGRWNEGXQNEHEB-CQSZACIVSA-N 1 2 288.347 1.965 20 30 CDEDLO COC(=O)[C@H]1CCCC[N@H+]1CCOc1ccccc1C#N ZINC000193741264 372053677 /nfs/dbraw/zinc/05/36/77/372053677.db2.gz YGRWNEGXQNEHEB-CQSZACIVSA-N 1 2 288.347 1.965 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H]1CO ZINC000050114613 372363517 /nfs/dbraw/zinc/36/35/17/372363517.db2.gz FRQLAKQZKGAKGT-SNVBAGLBSA-N 1 2 265.338 1.015 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]1CO ZINC000050114613 372363522 /nfs/dbraw/zinc/36/35/22/372363522.db2.gz FRQLAKQZKGAKGT-SNVBAGLBSA-N 1 2 265.338 1.015 20 30 CDEDLO C=CC[C@H](C)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000173655765 372508271 /nfs/dbraw/zinc/50/82/71/372508271.db2.gz KHNBSQXAVXZNRH-AWEZNQCLSA-N 1 2 288.395 1.284 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccccc1F ZINC000579663276 372622232 /nfs/dbraw/zinc/62/22/32/372622232.db2.gz OKNMGDJJWAQRII-CQSZACIVSA-N 1 2 263.316 1.328 20 30 CDEDLO C[C@H](C#N)CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000182872941 372631032 /nfs/dbraw/zinc/63/10/32/372631032.db2.gz YDNXBDIYVBKXNH-VXGBXAGGSA-N 1 2 261.329 1.217 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000175394782 372659268 /nfs/dbraw/zinc/65/92/68/372659268.db2.gz FMPHORNBYCOITF-MPBGBICISA-N 1 2 294.420 1.719 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000175394782 372659275 /nfs/dbraw/zinc/65/92/75/372659275.db2.gz FMPHORNBYCOITF-MPBGBICISA-N 1 2 294.420 1.719 20 30 CDEDLO C[C@@H](C#N)C[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000183831621 372645090 /nfs/dbraw/zinc/64/50/90/372645090.db2.gz XKLNUDFGPZKPND-JTQLQIEISA-N 1 2 266.370 1.229 20 30 CDEDLO C=C(Br)C[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121212026 372978420 /nfs/dbraw/zinc/97/84/20/372978420.db2.gz DABKHFNIULFUDP-UHFFFAOYSA-N 1 2 287.201 1.839 20 30 CDEDLO C=C(Br)C[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121212026 372978426 /nfs/dbraw/zinc/97/84/26/372978426.db2.gz DABKHFNIULFUDP-UHFFFAOYSA-N 1 2 287.201 1.839 20 30 CDEDLO Cc1noc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)cc2)n1 ZINC000348096218 372995805 /nfs/dbraw/zinc/99/58/05/372995805.db2.gz PNAJLUNGTGDHDF-SNVBAGLBSA-N 1 2 299.334 1.929 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)CNc1cccc(C#N)c1 ZINC000348299301 373102493 /nfs/dbraw/zinc/10/24/93/373102493.db2.gz FVBGHLSFGILELS-UHFFFAOYSA-N 1 2 296.330 1.690 20 30 CDEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cccc(F)c1 ZINC000191074256 373443226 /nfs/dbraw/zinc/44/32/26/373443226.db2.gz SGVRYZHEHWSVGU-UHFFFAOYSA-N 1 2 266.316 1.899 20 30 CDEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cccc(F)c1 ZINC000191074256 373443231 /nfs/dbraw/zinc/44/32/31/373443231.db2.gz SGVRYZHEHWSVGU-UHFFFAOYSA-N 1 2 266.316 1.899 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1c[nH]nc1C ZINC000639967703 373882226 /nfs/dbraw/zinc/88/22/26/373882226.db2.gz MXTZWGVALTVILU-ZDUSSCGKSA-N 1 2 276.384 1.739 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1c[nH]nc1C ZINC000639967703 373882232 /nfs/dbraw/zinc/88/22/32/373882232.db2.gz MXTZWGVALTVILU-ZDUSSCGKSA-N 1 2 276.384 1.739 20 30 CDEDLO N#Cc1ccc(NCC(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000358599988 373965372 /nfs/dbraw/zinc/96/53/72/373965372.db2.gz YLODGCZSGXAMCM-UHFFFAOYSA-N 1 2 255.281 1.010 20 30 CDEDLO N#Cc1ccc(NCC(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000358599988 373965379 /nfs/dbraw/zinc/96/53/79/373965379.db2.gz YLODGCZSGXAMCM-UHFFFAOYSA-N 1 2 255.281 1.010 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000360428735 374013790 /nfs/dbraw/zinc/01/37/90/374013790.db2.gz PAYONYBTXJMWBZ-UHFFFAOYSA-N 1 2 284.294 1.751 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000360428735 374013797 /nfs/dbraw/zinc/01/37/97/374013797.db2.gz PAYONYBTXJMWBZ-UHFFFAOYSA-N 1 2 284.294 1.751 20 30 CDEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1c[nH+]c[nH]1 ZINC000360928801 374030013 /nfs/dbraw/zinc/03/00/13/374030013.db2.gz CKQJDHRAMNUKFB-UHFFFAOYSA-N 1 2 284.319 1.755 20 30 CDEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1c[nH]c[nH+]1 ZINC000360928801 374030019 /nfs/dbraw/zinc/03/00/19/374030019.db2.gz CKQJDHRAMNUKFB-UHFFFAOYSA-N 1 2 284.319 1.755 20 30 CDEDLO Cn1cc(C[N@H+](C)CC(=O)NCc2ccccc2)cc1C#N ZINC000361548966 374045118 /nfs/dbraw/zinc/04/51/18/374045118.db2.gz LZMMAVYMBIWAMJ-UHFFFAOYSA-N 1 2 296.374 1.645 20 30 CDEDLO Cn1cc(C[N@@H+](C)CC(=O)NCc2ccccc2)cc1C#N ZINC000361548966 374045124 /nfs/dbraw/zinc/04/51/24/374045124.db2.gz LZMMAVYMBIWAMJ-UHFFFAOYSA-N 1 2 296.374 1.645 20 30 CDEDLO COCC#CC[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000640136421 374278599 /nfs/dbraw/zinc/27/85/99/374278599.db2.gz VMMSZRBFROQCLS-UHFFFAOYSA-N 1 2 262.328 1.598 20 30 CDEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000113260364 374247869 /nfs/dbraw/zinc/24/78/69/374247869.db2.gz PTLPWMWBGFXAQL-QWRGUYRKSA-N 1 2 298.383 1.951 20 30 CDEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000113260364 374247872 /nfs/dbraw/zinc/24/78/72/374247872.db2.gz PTLPWMWBGFXAQL-QWRGUYRKSA-N 1 2 298.383 1.951 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCc2n[nH]nc2C1 ZINC000429319398 374581448 /nfs/dbraw/zinc/58/14/48/374581448.db2.gz RPSHONUYIMKUKX-UHFFFAOYSA-N 1 2 269.308 1.243 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCc2n[nH]nc2C1 ZINC000429319398 374581456 /nfs/dbraw/zinc/58/14/56/374581456.db2.gz RPSHONUYIMKUKX-UHFFFAOYSA-N 1 2 269.308 1.243 20 30 CDEDLO Cn1cc([C@]2(C)C[N@H+](Cc3cc(C#N)n(C)c3)CCO2)cn1 ZINC000276772622 374747929 /nfs/dbraw/zinc/74/79/29/374747929.db2.gz PDDBOJKAKNJDDD-INIZCTEOSA-N 1 2 299.378 1.378 20 30 CDEDLO Cn1cc([C@]2(C)C[N@@H+](Cc3cc(C#N)n(C)c3)CCO2)cn1 ZINC000276772622 374747930 /nfs/dbraw/zinc/74/79/30/374747930.db2.gz PDDBOJKAKNJDDD-INIZCTEOSA-N 1 2 299.378 1.378 20 30 CDEDLO N#Cc1cccc(S(=O)(=O)NCC[N@H+]2CC=CCC2)c1 ZINC000280336132 374992950 /nfs/dbraw/zinc/99/29/50/374992950.db2.gz VFGWBARSECDOSK-UHFFFAOYSA-N 1 2 291.376 1.098 20 30 CDEDLO N#Cc1cccc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)c1 ZINC000280336132 374992957 /nfs/dbraw/zinc/99/29/57/374992957.db2.gz VFGWBARSECDOSK-UHFFFAOYSA-N 1 2 291.376 1.098 20 30 CDEDLO CCn1cc[nH+]c1CN1CCN(c2cc(C#N)ccn2)CC1 ZINC000332411236 375029777 /nfs/dbraw/zinc/02/97/77/375029777.db2.gz HIGYNBRKSMUQLX-UHFFFAOYSA-N 1 2 296.378 1.492 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CCn2cc[nH+]c2C1 ZINC000332631663 375039241 /nfs/dbraw/zinc/03/92/41/375039241.db2.gz WOPJMTNXPWHYIF-GFCCVEGCSA-N 1 2 295.346 1.598 20 30 CDEDLO CCCN1C[C@H](CNc2cc(C)[nH+]cc2C#N)CC1=O ZINC000425267020 246745501 /nfs/dbraw/zinc/74/55/01/246745501.db2.gz KJDNYNHLNUJLHR-LBPRGKRZSA-N 1 2 272.352 1.354 20 30 CDEDLO CC[N@@H+](Cc1cc(=O)n2ccsc2n1)C[C@H](C)C#N ZINC000049000632 375390831 /nfs/dbraw/zinc/39/08/31/375390831.db2.gz MSCLNQULZMJHQP-SNVBAGLBSA-N 1 2 276.365 1.738 20 30 CDEDLO CC[N@H+](Cc1cc(=O)n2ccsc2n1)C[C@H](C)C#N ZINC000049000632 375390835 /nfs/dbraw/zinc/39/08/35/375390835.db2.gz MSCLNQULZMJHQP-SNVBAGLBSA-N 1 2 276.365 1.738 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](O)C1 ZINC000216145955 375374155 /nfs/dbraw/zinc/37/41/55/375374155.db2.gz DYHKBXXQGFHTGD-DGCLKSJQSA-N 1 2 273.336 1.342 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](O)C1 ZINC000216145955 375374159 /nfs/dbraw/zinc/37/41/59/375374159.db2.gz DYHKBXXQGFHTGD-DGCLKSJQSA-N 1 2 273.336 1.342 20 30 CDEDLO Cn1cc(C[NH+]2CCN(Cc3ccccc3C#N)CC2)cn1 ZINC000353445144 375526163 /nfs/dbraw/zinc/52/61/63/375526163.db2.gz XCGMWCYDNZMREV-UHFFFAOYSA-N 1 2 295.390 1.610 20 30 CDEDLO O=C(N[C@@H]1CCCCNC1=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328907455 376021163 /nfs/dbraw/zinc/02/11/63/376021163.db2.gz CDEYGUGVTJLILS-ZYHUDNBSSA-N 1 2 276.340 1.911 20 30 CDEDLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000245666324 376133108 /nfs/dbraw/zinc/13/31/08/376133108.db2.gz HAUGSYWMPZGNAX-MLGOLLRUSA-N 1 2 286.379 1.883 20 30 CDEDLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000245666324 376133115 /nfs/dbraw/zinc/13/31/15/376133115.db2.gz HAUGSYWMPZGNAX-MLGOLLRUSA-N 1 2 286.379 1.883 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246474273 376869632 /nfs/dbraw/zinc/86/96/32/376869632.db2.gz MUSHBUYTYRDIRY-PBHICJAKSA-N 1 2 286.375 1.372 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246474273 376869639 /nfs/dbraw/zinc/86/96/39/376869639.db2.gz MUSHBUYTYRDIRY-PBHICJAKSA-N 1 2 286.375 1.372 20 30 CDEDLO Cc1ccc(CNC(=O)C[NH+]2CCC(C#N)CC2)cc1F ZINC000057879693 377860189 /nfs/dbraw/zinc/86/01/89/377860189.db2.gz HEMDXIIKAZZGPV-UHFFFAOYSA-N 1 2 289.354 1.986 20 30 CDEDLO C=CCCOCCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633139642 378147749 /nfs/dbraw/zinc/14/77/49/378147749.db2.gz MDNKDBCMPLEKMJ-UHFFFAOYSA-N 1 2 252.318 1.144 20 30 CDEDLO CC#CC[C@@H](CO)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000645404825 378152883 /nfs/dbraw/zinc/15/28/83/378152883.db2.gz OTYJRSMUXNJGST-LBPRGKRZSA-N 1 2 259.353 1.850 20 30 CDEDLO CC#CC[C@@H](CO)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000645404417 378157102 /nfs/dbraw/zinc/15/71/02/378157102.db2.gz HYAMDSCWRQUUPB-ZDUSSCGKSA-N 1 2 274.368 1.653 20 30 CDEDLO CC#CC[C@@H](CO)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000645404417 378157105 /nfs/dbraw/zinc/15/71/05/378157105.db2.gz HYAMDSCWRQUUPB-ZDUSSCGKSA-N 1 2 274.368 1.653 20 30 CDEDLO C=C[C@H](CO)NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000290488844 378379958 /nfs/dbraw/zinc/37/99/58/378379958.db2.gz FHSZDLMRWQFTBC-LLVKDONJSA-N 1 2 259.309 1.008 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000292989831 378532516 /nfs/dbraw/zinc/53/25/16/378532516.db2.gz CBDZKBJAJKYOEH-UHFFFAOYSA-N 1 2 287.319 1.439 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000292989831 378532520 /nfs/dbraw/zinc/53/25/20/378532520.db2.gz CBDZKBJAJKYOEH-UHFFFAOYSA-N 1 2 287.319 1.439 20 30 CDEDLO C#CCCOc1ccc(C(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000296047151 378713604 /nfs/dbraw/zinc/71/36/04/378713604.db2.gz NLKQHAWDYQSAEV-UHFFFAOYSA-N 1 2 295.342 1.941 20 30 CDEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1nccc(C#N)n1 ZINC000450487566 251306643 /nfs/dbraw/zinc/30/66/43/251306643.db2.gz NEUPRMJQOVPMDZ-UHFFFAOYSA-N 1 2 268.324 1.517 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(C(N)=O)cs2)C1=O ZINC000281171436 195134188 /nfs/dbraw/zinc/13/41/88/195134188.db2.gz GWUSQWLVIHCLCA-LBPRGKRZSA-N 1 2 293.392 1.066 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(C(N)=O)cs2)C1=O ZINC000281171436 195134190 /nfs/dbraw/zinc/13/41/90/195134190.db2.gz GWUSQWLVIHCLCA-LBPRGKRZSA-N 1 2 293.392 1.066 20 30 CDEDLO C#C[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)C(C)C ZINC000281173654 195134537 /nfs/dbraw/zinc/13/45/37/195134537.db2.gz YAZIGQSRFBSWSP-ZDUSSCGKSA-N 1 2 262.357 1.572 20 30 CDEDLO C#Cc1ccc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000289064882 197225703 /nfs/dbraw/zinc/22/57/03/197225703.db2.gz JKNBTALPTDMUGU-MRXNPFEDSA-N 1 2 289.400 1.819 20 30 CDEDLO C#Cc1ccc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000289064882 197225705 /nfs/dbraw/zinc/22/57/05/197225705.db2.gz JKNBTALPTDMUGU-MRXNPFEDSA-N 1 2 289.400 1.819 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000192227810 533112128 /nfs/dbraw/zinc/11/21/28/533112128.db2.gz QBWLLVWHXSPNKC-SECBINFHSA-N 1 2 252.264 1.857 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000192227810 533112133 /nfs/dbraw/zinc/11/21/33/533112133.db2.gz QBWLLVWHXSPNKC-SECBINFHSA-N 1 2 252.264 1.857 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000347069499 533118269 /nfs/dbraw/zinc/11/82/69/533118269.db2.gz NERGIFNEDXNPBE-GWCFXTLKSA-N 1 2 286.310 1.924 20 30 CDEDLO CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000048644646 390420619 /nfs/dbraw/zinc/42/06/19/390420619.db2.gz FEJKOSRQNYGUGA-UHFFFAOYSA-N 1 2 258.325 1.015 20 30 CDEDLO CCN1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1c1[nH]cc[nH+]1 ZINC000433101978 390495628 /nfs/dbraw/zinc/49/56/28/390495628.db2.gz FRBMSUYTIQYPCD-ZDUSSCGKSA-N 1 2 298.350 1.128 20 30 CDEDLO C[C@H](CC#N)N(C)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000103442271 390477991 /nfs/dbraw/zinc/47/79/91/390477991.db2.gz RKSUCCXQPVFDKX-LLVKDONJSA-N 1 2 256.309 1.637 20 30 CDEDLO C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(C#N)s2)CCC[N@@H+]1C ZINC000435436004 390627817 /nfs/dbraw/zinc/62/78/17/390627817.db2.gz CZHONRNCGPDISD-KOLCDFICSA-N 1 2 299.421 1.381 20 30 CDEDLO C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(C#N)s2)CCC[N@H+]1C ZINC000435436004 390627820 /nfs/dbraw/zinc/62/78/20/390627820.db2.gz CZHONRNCGPDISD-KOLCDFICSA-N 1 2 299.421 1.381 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1cccnc1 ZINC000119047544 390839212 /nfs/dbraw/zinc/83/92/12/390839212.db2.gz FKPWDCANPPOTNY-CYBMUJFWSA-N 1 2 274.368 1.522 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1cccnc1 ZINC000119047544 390839214 /nfs/dbraw/zinc/83/92/14/390839214.db2.gz FKPWDCANPPOTNY-CYBMUJFWSA-N 1 2 274.368 1.522 20 30 CDEDLO C[C@H]1CCc2ccccc2N1C(=O)CO[NH+]=C(N)CCO ZINC000121371919 390884607 /nfs/dbraw/zinc/88/46/07/390884607.db2.gz PMLMTMRCAXLTEO-NSHDSACASA-N 1 2 291.351 1.026 20 30 CDEDLO C[C@@H](NC(=O)CO[NH+]=C(N)CCO)c1ccc(Cl)cc1 ZINC000121418401 390885882 /nfs/dbraw/zinc/88/58/82/390885882.db2.gz STBZYJHEVPIENA-SECBINFHSA-N 1 2 299.758 1.188 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)c(Cl)c1 ZINC000300162203 390922466 /nfs/dbraw/zinc/92/24/66/390922466.db2.gz OPWMEOVROCHODR-TZMCWYRMSA-N 1 2 289.766 1.922 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)c(Cl)c1 ZINC000300162203 390922467 /nfs/dbraw/zinc/92/24/67/390922467.db2.gz OPWMEOVROCHODR-TZMCWYRMSA-N 1 2 289.766 1.922 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373584899 391123947 /nfs/dbraw/zinc/12/39/47/391123947.db2.gz WBJXWTNZBSVXBU-NWDGAFQWSA-N 1 2 260.341 1.454 20 30 CDEDLO C[C@H]1CCC[C@@](C#N)(NC(=O)CCn2cc[nH+]c2)C1 ZINC000265319561 391153953 /nfs/dbraw/zinc/15/39/53/391153953.db2.gz DDWJUVIWEGUYST-GXTWGEPZSA-N 1 2 260.341 1.862 20 30 CDEDLO C=CCOCC[NH2+][C@H](C(=O)OCC)[C@H]1CCCOC1 ZINC000339081639 391252075 /nfs/dbraw/zinc/25/20/75/391252075.db2.gz RAXPLLIGZXDDRP-STQMWFEESA-N 1 2 271.357 1.137 20 30 CDEDLO C#CCCCO[NH+]=C(N)c1ccc(-n2nc(C)cc2C)nc1 ZINC000270903376 391282719 /nfs/dbraw/zinc/28/27/19/391282719.db2.gz KACSROZZXGHEMQ-UHFFFAOYSA-N 1 2 297.362 1.934 20 30 CDEDLO CC#CCNC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000339350779 391287416 /nfs/dbraw/zinc/28/74/16/391287416.db2.gz YGJPZOVWLFAQAF-OLZOCXBDSA-N 1 2 252.358 1.015 20 30 CDEDLO CC#CCNC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000339350779 391287420 /nfs/dbraw/zinc/28/74/20/391287420.db2.gz YGJPZOVWLFAQAF-OLZOCXBDSA-N 1 2 252.358 1.015 20 30 CDEDLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000345813956 391317447 /nfs/dbraw/zinc/31/74/47/391317447.db2.gz PUMBHTREHGLLRU-NEPJUHHUSA-N 1 2 265.357 1.048 20 30 CDEDLO CC[C@H]1C[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000345813956 391317450 /nfs/dbraw/zinc/31/74/50/391317450.db2.gz PUMBHTREHGLLRU-NEPJUHHUSA-N 1 2 265.357 1.048 20 30 CDEDLO C[C@@H](C#N)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000345831776 391319609 /nfs/dbraw/zinc/31/96/09/391319609.db2.gz CFWJWOSAZFFBGD-NWDGAFQWSA-N 1 2 288.351 1.083 20 30 CDEDLO CC#CCNC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000367167970 391408633 /nfs/dbraw/zinc/40/86/33/391408633.db2.gz LDWXIDXUBBKTJE-LBPRGKRZSA-N 1 2 260.341 1.391 20 30 CDEDLO C=C1CC[NH+](CC(=O)Nc2nnc(-c3ccco3)o2)CC1 ZINC000339984717 391533431 /nfs/dbraw/zinc/53/34/31/391533431.db2.gz ZOQAVWHMNHIGAK-UHFFFAOYSA-N 1 2 288.307 1.920 20 30 CDEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(C)(C)C#N ZINC000335734854 391552690 /nfs/dbraw/zinc/55/26/90/391552690.db2.gz ZSPZNHYEIWBZFF-UHFFFAOYSA-N 1 2 260.341 1.728 20 30 CDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1ccccc1C#N ZINC000367211935 391630767 /nfs/dbraw/zinc/63/07/67/391630767.db2.gz NWCYAZBFOZAEQQ-YOEHRIQHSA-N 1 2 285.391 1.853 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000366581272 391635237 /nfs/dbraw/zinc/63/52/37/391635237.db2.gz YVNXGOZNRNVMST-GHMZBOCLSA-N 1 2 276.174 1.775 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000366581272 391635241 /nfs/dbraw/zinc/63/52/41/391635241.db2.gz YVNXGOZNRNVMST-GHMZBOCLSA-N 1 2 276.174 1.775 20 30 CDEDLO CC(C)c1cccc2c1CC[N@H+](CC(=O)NCC#N)C2 ZINC000191893317 391707278 /nfs/dbraw/zinc/70/72/78/391707278.db2.gz NYSKFPFBRVKLHS-UHFFFAOYSA-N 1 2 271.364 1.808 20 30 CDEDLO CC(C)c1cccc2c1CC[N@@H+](CC(=O)NCC#N)C2 ZINC000191893317 391707282 /nfs/dbraw/zinc/70/72/82/391707282.db2.gz NYSKFPFBRVKLHS-UHFFFAOYSA-N 1 2 271.364 1.808 20 30 CDEDLO Cc1cc(NCCN(C)C(=O)OC(C)(C)C)c(C#N)c[nH+]1 ZINC000496594666 391708088 /nfs/dbraw/zinc/70/80/88/391708088.db2.gz HFEXIJYAFULRKK-UHFFFAOYSA-N 1 2 290.367 1.962 20 30 CDEDLO COC[C@H](C)[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341808348 130070779 /nfs/dbraw/zinc/07/07/79/130070779.db2.gz KCWVEKAHRZOZHT-SWLSCSKDSA-N 1 2 260.337 1.966 20 30 CDEDLO COC[C@H](C)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341808348 130070780 /nfs/dbraw/zinc/07/07/80/130070780.db2.gz KCWVEKAHRZOZHT-SWLSCSKDSA-N 1 2 260.337 1.966 20 30 CDEDLO N#Cc1cc([N+](=O)[O-])cnc1NCCCNc1cccc[nH+]1 ZINC000341931441 130160177 /nfs/dbraw/zinc/16/01/77/130160177.db2.gz LGBNMJBMFNROAS-UHFFFAOYSA-N 1 2 298.306 1.592 20 30 CDEDLO C[C@H](NC(=O)N1CCn2cc[nH+]c2C1)[C@@H]1CCOC1 ZINC000329775181 391777210 /nfs/dbraw/zinc/77/72/10/391777210.db2.gz MXUQCLFCWISHEO-WDEREUQCSA-N 1 2 264.329 1.038 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)N[C@]1(C)CCO[C@@H]1C)[NH+]1CCOCC1 ZINC000329756105 391771845 /nfs/dbraw/zinc/77/18/45/391771845.db2.gz MATONEVHPAHALF-KYEXWDHISA-N 1 2 299.415 1.167 20 30 CDEDLO CC[N@H+](Cc1cc(C#N)n(C)c1)[C@@H](C)CS(C)(=O)=O ZINC000191360898 130226393 /nfs/dbraw/zinc/22/63/93/130226393.db2.gz VGUNEHPSUBDCTJ-NSHDSACASA-N 1 2 283.397 1.152 20 30 CDEDLO CC[N@@H+](Cc1cc(C#N)n(C)c1)[C@@H](C)CS(C)(=O)=O ZINC000191360898 130226394 /nfs/dbraw/zinc/22/63/94/130226394.db2.gz VGUNEHPSUBDCTJ-NSHDSACASA-N 1 2 283.397 1.152 20 30 CDEDLO Cc1nc(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)no1 ZINC000329797266 391780897 /nfs/dbraw/zinc/78/08/97/391780897.db2.gz FINUVGLGHSHOKO-JTQLQIEISA-N 1 2 290.327 1.395 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000163115260 391902590 /nfs/dbraw/zinc/90/25/90/391902590.db2.gz HIYXNJJODAJBBO-CQSZACIVSA-N 1 2 290.363 1.539 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000163115260 391902592 /nfs/dbraw/zinc/90/25/92/391902592.db2.gz HIYXNJJODAJBBO-CQSZACIVSA-N 1 2 290.363 1.539 20 30 CDEDLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000646032723 391920504 /nfs/dbraw/zinc/92/05/04/391920504.db2.gz ZBBFHADYCVTXDX-ZBEGNZNMSA-N 1 2 298.346 1.485 20 30 CDEDLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000646032723 391920513 /nfs/dbraw/zinc/92/05/13/391920513.db2.gz ZBBFHADYCVTXDX-ZBEGNZNMSA-N 1 2 298.346 1.485 20 30 CDEDLO CN(C(=O)C1CC[NH+](CC(F)F)CC1)C1(C#N)CCC1 ZINC000343152689 392093810 /nfs/dbraw/zinc/09/38/10/392093810.db2.gz KTVQBVGOHSBWSL-UHFFFAOYSA-N 1 2 285.338 1.868 20 30 CDEDLO C=C[C@@H](O)C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000646681992 392648459 /nfs/dbraw/zinc/64/84/59/392648459.db2.gz ATQALOZUTZVQSX-GFCCVEGCSA-N 1 2 263.341 1.091 20 30 CDEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@@H](n3cccn3)C2)cc1 ZINC000361596434 392761395 /nfs/dbraw/zinc/76/13/95/392761395.db2.gz SOIDKDFNVMXZOM-HUUCEWRRSA-N 1 2 295.346 1.228 20 30 CDEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@@H](n3cccn3)C2)cc1 ZINC000361596434 392761398 /nfs/dbraw/zinc/76/13/98/392761398.db2.gz SOIDKDFNVMXZOM-HUUCEWRRSA-N 1 2 295.346 1.228 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNc2ncc(C#N)cc2F)CCO1 ZINC000413268257 392832475 /nfs/dbraw/zinc/83/24/75/392832475.db2.gz OCTUNCCVTFSYBM-GFCCVEGCSA-N 1 2 278.331 1.615 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNc2ncc(C#N)cc2F)CCO1 ZINC000413268257 392832476 /nfs/dbraw/zinc/83/24/76/392832476.db2.gz OCTUNCCVTFSYBM-GFCCVEGCSA-N 1 2 278.331 1.615 20 30 CDEDLO COC(=O)C1(CNc2cc(C)[nH+]cc2C#N)CCOCC1 ZINC000425250937 393005041 /nfs/dbraw/zinc/00/50/41/393005041.db2.gz WROWMZKIBADOJG-UHFFFAOYSA-N 1 2 289.335 1.065 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCn2ncnc2C1 ZINC000332669217 393155468 /nfs/dbraw/zinc/15/54/68/393155468.db2.gz YUPVDTNZFFYFAJ-UHFFFAOYSA-N 1 2 269.308 1.174 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCn2ncnc2C1 ZINC000332669217 393155485 /nfs/dbraw/zinc/15/54/85/393155485.db2.gz YUPVDTNZFFYFAJ-UHFFFAOYSA-N 1 2 269.308 1.174 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494319875 393230773 /nfs/dbraw/zinc/23/07/73/393230773.db2.gz VWVPMKGKVPTTJC-AWEZNQCLSA-N 1 2 271.320 1.585 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494319875 393230778 /nfs/dbraw/zinc/23/07/78/393230778.db2.gz VWVPMKGKVPTTJC-AWEZNQCLSA-N 1 2 271.320 1.585 20 30 CDEDLO C[C@@H](O)C[NH+]1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000275474037 135107988 /nfs/dbraw/zinc/10/79/88/135107988.db2.gz BQDJFHXREJZZOS-SNVBAGLBSA-N 1 2 281.306 1.339 20 30 CDEDLO Cc1c(C#N)cccc1NC(=O)NCC[NH+]1CCOCC1 ZINC000178576365 140006435 /nfs/dbraw/zinc/00/64/35/140006435.db2.gz QWFOPIHOXZCZBJ-UHFFFAOYSA-N 1 2 288.351 1.320 20 30 CDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](C)CC1 ZINC000050079740 398092616 /nfs/dbraw/zinc/09/26/16/398092616.db2.gz VLGHOBFYINTKSK-LBPRGKRZSA-N 1 2 273.336 1.100 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cccc(F)c2)nn1 ZINC000656433268 413232935 /nfs/dbraw/zinc/23/29/35/413232935.db2.gz JPCDWVHQSHGVKM-UHFFFAOYSA-N 1 2 258.300 1.578 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccccc2C)nn1 ZINC000656435171 413239744 /nfs/dbraw/zinc/23/97/44/413239744.db2.gz HOECXIGRCXZEEE-UHFFFAOYSA-N 1 2 254.337 1.748 20 30 CDEDLO C[N@H+](Cc1cn2ccccc2c1C#N)[C@H]1CCNC1=O ZINC000335798028 151028044 /nfs/dbraw/zinc/02/80/44/151028044.db2.gz XPKAMDBHESVLMA-AWEZNQCLSA-N 1 2 268.320 1.131 20 30 CDEDLO C[N@@H+](Cc1cn2ccccc2c1C#N)[C@H]1CCNC1=O ZINC000335798028 151028046 /nfs/dbraw/zinc/02/80/46/151028046.db2.gz XPKAMDBHESVLMA-AWEZNQCLSA-N 1 2 268.320 1.131 20 30 CDEDLO C[C@H]1C[N@H+](Cc2cc(C#N)cs2)CC[S@@](=O)C1 ZINC000336138920 151303502 /nfs/dbraw/zinc/30/35/02/151303502.db2.gz VLXLUTRKCYCQDC-DYZYQPBXSA-N 1 2 268.407 1.820 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)cs2)CC[S@@](=O)C1 ZINC000336138920 151303505 /nfs/dbraw/zinc/30/35/05/151303505.db2.gz VLXLUTRKCYCQDC-DYZYQPBXSA-N 1 2 268.407 1.820 20 30 CDEDLO Cc1ccnc(N2CC[NH+](Cc3cnn(C)c3)CC2)c1C#N ZINC000343446884 152179935 /nfs/dbraw/zinc/17/99/35/152179935.db2.gz YLZKWQVDCUKQGS-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO Cc1ccc2[nH+]c(CNC(=O)c3c[nH]c(C#N)c3)cn2c1 ZINC000346673085 153267377 /nfs/dbraw/zinc/26/73/77/153267377.db2.gz SBAYMDZWMSODOS-UHFFFAOYSA-N 1 2 279.303 1.773 20 30 CDEDLO CN(C)c1ccc(CNC(=O)c2c[nH]c(C#N)c2)c[nH+]1 ZINC000346690468 153274551 /nfs/dbraw/zinc/27/45/51/153274551.db2.gz UPOCQBZJPAXSDM-UHFFFAOYSA-N 1 2 269.308 1.277 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000373032943 160167128 /nfs/dbraw/zinc/16/71/28/160167128.db2.gz BGTIWDDBDDEFIN-LBPRGKRZSA-N 1 2 283.335 1.640 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001665597091 1173017938 /nfs/dbraw/zinc/01/79/38/1173017938.db2.gz JZWSXALTCHWYBH-CVEARBPZSA-N 1 2 285.391 1.113 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001665597091 1173017946 /nfs/dbraw/zinc/01/79/46/1173017946.db2.gz JZWSXALTCHWYBH-CVEARBPZSA-N 1 2 285.391 1.113 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000284753763 196125660 /nfs/dbraw/zinc/12/56/60/196125660.db2.gz VVUOLYISPDYENP-GVDBMIGSSA-N 1 2 286.375 1.920 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000284753763 196125661 /nfs/dbraw/zinc/12/56/61/196125661.db2.gz VVUOLYISPDYENP-GVDBMIGSSA-N 1 2 286.375 1.920 20 30 CDEDLO C=CC[N@H+](Cc1cc(=O)n2[nH]ccc2n1)C(C)(C)C ZINC000661760707 414340404 /nfs/dbraw/zinc/34/04/04/414340404.db2.gz XJFQSWRMFBKQPA-UHFFFAOYSA-N 1 2 260.341 1.809 20 30 CDEDLO C=CC[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)C(C)(C)C ZINC000661760707 414340409 /nfs/dbraw/zinc/34/04/09/414340409.db2.gz XJFQSWRMFBKQPA-UHFFFAOYSA-N 1 2 260.341 1.809 20 30 CDEDLO C=CCCn1cc(CNCc2c[nH+]c3n2CCCC3)nn1 ZINC000657459945 414355732 /nfs/dbraw/zinc/35/57/32/414355732.db2.gz MIZGHGDDKCEMBC-UHFFFAOYSA-N 1 2 286.383 1.677 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2cccnc2Cl)CC1 ZINC000038105778 174121087 /nfs/dbraw/zinc/12/10/87/174121087.db2.gz MRUPQDDBSVNYLZ-UHFFFAOYSA-N 1 2 263.728 1.126 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(O)c3ncccc23)CC1 ZINC000038192600 174136008 /nfs/dbraw/zinc/13/60/08/174136008.db2.gz JWUOZHTYFQHGAB-UHFFFAOYSA-N 1 2 281.359 1.691 20 30 CDEDLO NC(=O)c1ccc(CO[NH+]=C(N)c2ccc(F)cc2)cc1 ZINC000040486184 174289119 /nfs/dbraw/zinc/28/91/19/174289119.db2.gz GPEZRXBQPQAPCM-UHFFFAOYSA-N 1 2 287.294 1.762 20 30 CDEDLO CN(CC[NH+]1CCOCC1)c1ccc(Cl)c(C#N)n1 ZINC000077962960 177313219 /nfs/dbraw/zinc/31/32/19/177313219.db2.gz FMLNECNPEBBSBO-UHFFFAOYSA-N 1 2 280.759 1.375 20 30 CDEDLO COC[C@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1ccco1 ZINC000346537762 225834887 /nfs/dbraw/zinc/83/48/87/225834887.db2.gz XKGJOXAZXAFHKE-RYUDHWBXSA-N 1 2 291.351 1.508 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000347072281 226015114 /nfs/dbraw/zinc/01/51/14/226015114.db2.gz PNKQCTNIFOIYPH-CQSZACIVSA-N 1 2 287.363 1.369 20 30 CDEDLO C[C@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)NCC#N ZINC000171730310 335076142 /nfs/dbraw/zinc/07/61/42/335076142.db2.gz PSNGUJKPRQQFLH-SNVBAGLBSA-N 1 2 288.376 1.929 20 30 CDEDLO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)NCC#N ZINC000171730310 335076144 /nfs/dbraw/zinc/07/61/44/335076144.db2.gz PSNGUJKPRQQFLH-SNVBAGLBSA-N 1 2 288.376 1.929 20 30 CDEDLO [O-]C(NC[C@@H]1CCCOC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330174310 228056535 /nfs/dbraw/zinc/05/65/35/228056535.db2.gz IAFVZLKSOICCLT-NWDGAFQWSA-N 1 2 278.356 1.128 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@@H]1CCCOC1 ZINC000330174310 228056537 /nfs/dbraw/zinc/05/65/37/228056537.db2.gz IAFVZLKSOICCLT-NWDGAFQWSA-N 1 2 278.356 1.128 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]CC1(O)CCCC1 ZINC000330282539 228092101 /nfs/dbraw/zinc/09/21/01/228092101.db2.gz VKGGMKZZHWTUOZ-LLVKDONJSA-N 1 2 278.356 1.007 20 30 CDEDLO [O-]C(NCC1(O)CCCC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330282539 228092102 /nfs/dbraw/zinc/09/21/02/228092102.db2.gz VKGGMKZZHWTUOZ-LLVKDONJSA-N 1 2 278.356 1.007 20 30 CDEDLO C[C@@H]1C[N@H+](CCC#N)C[C@H]1NC(=O)OC(C)(C)C ZINC000497134300 260126099 /nfs/dbraw/zinc/12/60/99/260126099.db2.gz QSFWGDASVIDVND-GHMZBOCLSA-N 1 2 253.346 1.745 20 30 CDEDLO C[C@@H]1C[N@@H+](CCC#N)C[C@H]1NC(=O)OC(C)(C)C ZINC000497134300 260126100 /nfs/dbraw/zinc/12/61/00/260126100.db2.gz QSFWGDASVIDVND-GHMZBOCLSA-N 1 2 253.346 1.745 20 30 CDEDLO CN(CC[NH+]1CCOCC1)C(=O)C1(C#N)CCCCC1 ZINC000408001536 260169049 /nfs/dbraw/zinc/16/90/49/260169049.db2.gz QAYPHZPDGDAKIE-UHFFFAOYSA-N 1 2 279.384 1.251 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)C[C@@H](C2CC2)O1 ZINC000518187633 260352820 /nfs/dbraw/zinc/35/28/20/260352820.db2.gz DHYYNCQUXWLEAD-ABAIWWIYSA-N 1 2 297.362 1.600 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)C[C@@H](C2CC2)O1 ZINC000518187633 260352821 /nfs/dbraw/zinc/35/28/21/260352821.db2.gz DHYYNCQUXWLEAD-ABAIWWIYSA-N 1 2 297.362 1.600 20 30 CDEDLO C[C@@H](CNC(=O)C1(C#N)CCCC1)Cn1cc[nH+]c1 ZINC000153637728 261081495 /nfs/dbraw/zinc/08/14/95/261081495.db2.gz NMPDPSBOOFJJEJ-LBPRGKRZSA-N 1 2 260.341 1.719 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)N=c2ccc(C3CC3)n[nH]2)CC1 ZINC000490657239 261178868 /nfs/dbraw/zinc/17/88/68/261178868.db2.gz RKZPILGGOBUEKO-UHFFFAOYSA-N 1 2 284.363 1.060 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(-n2cncn2)c(F)c1 ZINC000490913199 261245286 /nfs/dbraw/zinc/24/52/86/261245286.db2.gz CJLQONCBYXBCEU-UHFFFAOYSA-N 1 2 282.322 1.865 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1ccc(-n2cncn2)c(F)c1 ZINC000490913199 261245289 /nfs/dbraw/zinc/24/52/89/261245289.db2.gz CJLQONCBYXBCEU-UHFFFAOYSA-N 1 2 282.322 1.865 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000192228071 262200484 /nfs/dbraw/zinc/20/04/84/262200484.db2.gz QAXOAUBNTPBKKM-AWEZNQCLSA-N 1 2 299.374 1.895 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000192228071 262200485 /nfs/dbraw/zinc/20/04/85/262200485.db2.gz QAXOAUBNTPBKKM-AWEZNQCLSA-N 1 2 299.374 1.895 20 30 CDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCCc1ccccc1F ZINC000277877575 263044238 /nfs/dbraw/zinc/04/42/38/263044238.db2.gz GFDVVAZASDOZAJ-UHFFFAOYSA-N 1 2 281.331 1.572 20 30 CDEDLO Cc1cccc(OCCO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000283899874 263084876 /nfs/dbraw/zinc/08/48/76/263084876.db2.gz DFSGPRNAACZAFF-ZDUSSCGKSA-N 1 2 264.325 1.842 20 30 CDEDLO CC(C)(C)c1cnc(CO[NH+]=C(N)[C@@H]2CCCO2)o1 ZINC000284051351 263085518 /nfs/dbraw/zinc/08/55/18/263085518.db2.gz JGCSNLRKCZESSV-VIFPVBQESA-N 1 2 267.329 1.940 20 30 CDEDLO CNC(=O)c1ccc(CO[NH+]=C(N)[C@@H]2CCCO2)cc1 ZINC000284519765 263087048 /nfs/dbraw/zinc/08/70/48/263087048.db2.gz UOHYNNVLCCROLA-LBPRGKRZSA-N 1 2 277.324 1.014 20 30 CDEDLO C[N@H+](CC#Cc1ccc(Cl)cc1)[C@H]1CCNC1=O ZINC000340221689 263097161 /nfs/dbraw/zinc/09/71/61/263097161.db2.gz QEQIZWXILGCCIB-ZDUSSCGKSA-N 1 2 262.740 1.512 20 30 CDEDLO C[N@@H+](CC#Cc1ccc(Cl)cc1)[C@H]1CCNC1=O ZINC000340221689 263097162 /nfs/dbraw/zinc/09/71/62/263097162.db2.gz QEQIZWXILGCCIB-ZDUSSCGKSA-N 1 2 262.740 1.512 20 30 CDEDLO C[C@H](CC#N)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000299694249 263251974 /nfs/dbraw/zinc/25/19/74/263251974.db2.gz XDIHKBSKEZNSOO-GFCCVEGCSA-N 1 2 268.320 1.963 20 30 CDEDLO C=CC[C@H](CO)CNc1nc(C)[nH+]c2ccc(OC)cc21 ZINC000340880955 263311146 /nfs/dbraw/zinc/31/11/46/263311146.db2.gz LOMYBMMLRQCFJV-LBPRGKRZSA-N 1 2 287.363 1.965 20 30 CDEDLO COCC1(C#N)CC[NH+](CC(=O)c2cccn2C)CC1 ZINC000341974158 263372604 /nfs/dbraw/zinc/37/26/04/263372604.db2.gz HIQAZMFUNQIQNL-UHFFFAOYSA-N 1 2 275.352 1.460 20 30 CDEDLO CCC(C)(C)NC(=O)C[NH+]1CCC(C#N)(COC)CC1 ZINC000341994225 263373018 /nfs/dbraw/zinc/37/30/18/263373018.db2.gz SEOCXXVIYVGRCJ-UHFFFAOYSA-N 1 2 281.400 1.543 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000342048849 263382958 /nfs/dbraw/zinc/38/29/58/263382958.db2.gz NQUHRCCEPDVVMR-CQSZACIVSA-N 1 2 290.411 1.667 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@@H+]1C[C@H](C)OC[C@H]1CC ZINC000330632700 264001250 /nfs/dbraw/zinc/00/12/50/264001250.db2.gz REOJGOPMHFMTEP-NWDGAFQWSA-N 1 2 285.388 1.316 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@H+]1C[C@H](C)OC[C@H]1CC ZINC000330632700 264001251 /nfs/dbraw/zinc/00/12/51/264001251.db2.gz REOJGOPMHFMTEP-NWDGAFQWSA-N 1 2 285.388 1.316 20 30 CDEDLO C[C@H](NC(=O)N(C)Cc1[nH+]ccn1C)C1CCOCC1 ZINC000330715161 264021884 /nfs/dbraw/zinc/02/18/84/264021884.db2.gz YBPACWMQHDISAT-NSHDSACASA-N 1 2 280.372 1.581 20 30 CDEDLO N#Cc1cccc(CNC(=O)C[NH+]2CCC(C#N)CC2)c1 ZINC000330718692 264023362 /nfs/dbraw/zinc/02/33/62/264023362.db2.gz DWIZVWUHHACLDP-UHFFFAOYSA-N 1 2 282.347 1.410 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331297887 264198739 /nfs/dbraw/zinc/19/87/39/264198739.db2.gz AXGICWWYPCMNEW-GFCCVEGCSA-N 1 2 299.415 1.564 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331297887 264198740 /nfs/dbraw/zinc/19/87/40/264198740.db2.gz AXGICWWYPCMNEW-GFCCVEGCSA-N 1 2 299.415 1.564 20 30 CDEDLO C=CCCn1cc(C(=O)NCc2[nH+]ccn2CC)nn1 ZINC000424864199 264239562 /nfs/dbraw/zinc/23/95/62/264239562.db2.gz KVQVWGBMUAZZLX-UHFFFAOYSA-N 1 2 274.328 1.001 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNC(=O)NCC2(C(F)(F)F)CC2)C1 ZINC000329272147 264249408 /nfs/dbraw/zinc/24/94/08/264249408.db2.gz JNWFEXZJCKCPJP-VIFPVBQESA-N 1 2 295.305 1.163 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)NCC2(C(F)(F)F)CC2)C1 ZINC000329272147 264249406 /nfs/dbraw/zinc/24/94/06/264249406.db2.gz JNWFEXZJCKCPJP-VIFPVBQESA-N 1 2 295.305 1.163 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCS[C@H](C)C2)nn1 ZINC000653544767 424264074 /nfs/dbraw/zinc/26/40/74/424264074.db2.gz KRNGZKHALKXIGP-LLVKDONJSA-N 1 2 252.387 1.792 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCS[C@H](C)C2)nn1 ZINC000653544767 424264083 /nfs/dbraw/zinc/26/40/83/424264083.db2.gz KRNGZKHALKXIGP-LLVKDONJSA-N 1 2 252.387 1.792 20 30 CDEDLO C=CCCn1cc(C[N@H+](C)CCc2cnccn2)nn1 ZINC000653596180 424320669 /nfs/dbraw/zinc/32/06/69/424320669.db2.gz ICOXUWQNYNIGPO-UHFFFAOYSA-N 1 2 272.356 1.319 20 30 CDEDLO C=CCCn1cc(C[N@@H+](C)CCc2cnccn2)nn1 ZINC000653596180 424320680 /nfs/dbraw/zinc/32/06/80/424320680.db2.gz ICOXUWQNYNIGPO-UHFFFAOYSA-N 1 2 272.356 1.319 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1c[nH+]cn1C ZINC000292275487 424576136 /nfs/dbraw/zinc/57/61/36/424576136.db2.gz GPGKCQLTJRNIDO-YPMHNXCESA-N 1 2 278.356 1.201 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000367741343 267114516 /nfs/dbraw/zinc/11/45/16/267114516.db2.gz QWZYNWKWPGBUII-GFCCVEGCSA-N 1 2 292.358 1.033 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@H](C(N)=O)C1 ZINC000187374513 267215840 /nfs/dbraw/zinc/21/58/40/267215840.db2.gz GKBAXJDTBKQAJS-HZMBPMFUSA-N 1 2 275.327 1.783 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@H](C(N)=O)C1 ZINC000187374513 267215843 /nfs/dbraw/zinc/21/58/43/267215843.db2.gz GKBAXJDTBKQAJS-HZMBPMFUSA-N 1 2 275.327 1.783 20 30 CDEDLO Cc1cc(N2CCC[C@H](CS(C)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000399422375 267336952 /nfs/dbraw/zinc/33/69/52/267336952.db2.gz ZVZYFPCVNBFLOL-LBPRGKRZSA-N 1 2 293.392 1.523 20 30 CDEDLO N#Cc1cc(F)c(C(=O)N2CC(n3cc[nH+]c3)C2)c(F)c1 ZINC000531502945 268182596 /nfs/dbraw/zinc/18/25/96/268182596.db2.gz MDPBQVNFNIDLFU-UHFFFAOYSA-N 1 2 288.257 1.730 20 30 CDEDLO CS[C@H](CO)[C@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000398983231 270366271 /nfs/dbraw/zinc/36/62/71/270366271.db2.gz GCJHANWGMNPMLJ-JOYOIKCWSA-N 1 2 251.355 1.208 20 30 CDEDLO COCC[N@H+](CC#Cc1cccc(Cl)c1)[C@H](C)C(N)=O ZINC000160033096 277214054 /nfs/dbraw/zinc/21/40/54/277214054.db2.gz LSXVFWBMCQVGKS-GFCCVEGCSA-N 1 2 294.782 1.514 20 30 CDEDLO COCC[N@@H+](CC#Cc1cccc(Cl)c1)[C@H](C)C(N)=O ZINC000160033096 277214055 /nfs/dbraw/zinc/21/40/55/277214055.db2.gz LSXVFWBMCQVGKS-GFCCVEGCSA-N 1 2 294.782 1.514 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000492128747 278309870 /nfs/dbraw/zinc/30/98/70/278309870.db2.gz BPQNQGGBLFFKHV-RISCZKNCSA-N 1 2 271.320 1.756 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000492128747 278309871 /nfs/dbraw/zinc/30/98/71/278309871.db2.gz BPQNQGGBLFFKHV-RISCZKNCSA-N 1 2 271.320 1.756 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000556935354 290317177 /nfs/dbraw/zinc/31/71/77/290317177.db2.gz INPNKEOLLZKOTH-AWEZNQCLSA-N 1 2 295.346 1.876 20 30 CDEDLO Cc1cnc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)o1 ZINC000329383897 292919037 /nfs/dbraw/zinc/91/90/37/292919037.db2.gz RIRNJTVSZAOLAM-JQWIXIFHSA-N 1 2 294.355 1.324 20 30 CDEDLO N#Cc1cncnc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000565268703 293581630 /nfs/dbraw/zinc/58/16/30/293581630.db2.gz BQUTZRDVSVICIS-UHFFFAOYSA-N 1 2 295.346 1.376 20 30 CDEDLO CN(C)c1ccc(CNc2ncc3c(c2C#N)CCC3)c[nH+]1 ZINC000574195165 294963057 /nfs/dbraw/zinc/96/30/57/294963057.db2.gz LHRPBQATJJWJPC-UHFFFAOYSA-N 1 2 293.374 1.937 20 30 CDEDLO Cc1cc(N2CCC(N3CN=NC3=O)CC2)c(C#N)c[nH+]1 ZINC000563427050 316307802 /nfs/dbraw/zinc/30/78/02/316307802.db2.gz QCSUUDHXDLFGGT-UHFFFAOYSA-N 1 2 284.323 1.400 20 30 CDEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cc[nH]n1 ZINC000576936229 317233024 /nfs/dbraw/zinc/23/30/24/317233024.db2.gz GCLHMBJYMSTJCD-UHFFFAOYSA-N 1 2 270.336 1.930 20 30 CDEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cc[nH]n1 ZINC000576936229 317233027 /nfs/dbraw/zinc/23/30/27/317233027.db2.gz GCLHMBJYMSTJCD-UHFFFAOYSA-N 1 2 270.336 1.930 20 30 CDEDLO Cc1cc[nH+]c(N2CCN(CC3(C#N)CC3)CC2)c1 ZINC000343323029 328533903 /nfs/dbraw/zinc/53/39/03/328533903.db2.gz TVEQDWHFROUHBF-UHFFFAOYSA-N 1 2 256.353 1.816 20 30 CDEDLO COc1cccc([C@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000583503175 328586085 /nfs/dbraw/zinc/58/60/85/328586085.db2.gz SELHBZYKVLVIBX-BLLLJJGKSA-N 1 2 289.379 1.759 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000560431931 327307312 /nfs/dbraw/zinc/30/73/12/327307312.db2.gz RVWUXPBXELDYDC-XQQFMLRXSA-N 1 2 292.383 1.997 20 30 CDEDLO C=CCC1(C(=O)N[C@H](C)C[NH+]2CCOCC2)CCC1 ZINC000188731905 329370976 /nfs/dbraw/zinc/37/09/76/329370976.db2.gz GULATNWKQKNXBS-CYBMUJFWSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1nc(CC)cc(=O)[nH]1 ZINC000189421642 329381830 /nfs/dbraw/zinc/38/18/30/329381830.db2.gz GMGVOMGUWDMFSN-UHFFFAOYSA-N 1 2 251.330 1.379 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1nc(CC)cc(=O)[nH]1 ZINC000189421642 329381832 /nfs/dbraw/zinc/38/18/32/329381832.db2.gz GMGVOMGUWDMFSN-UHFFFAOYSA-N 1 2 251.330 1.379 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]([C@@H](C)C(=O)OC)C1CCC1 ZINC000190076437 329391235 /nfs/dbraw/zinc/39/12/35/329391235.db2.gz DIIQDEAGAFLEQN-ZDUSSCGKSA-N 1 2 296.411 1.827 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]([C@@H](C)C(=O)OC)C1CCC1 ZINC000190076437 329391237 /nfs/dbraw/zinc/39/12/37/329391237.db2.gz DIIQDEAGAFLEQN-ZDUSSCGKSA-N 1 2 296.411 1.827 20 30 CDEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cnccn2)CC1 ZINC000564023575 329656244 /nfs/dbraw/zinc/65/62/44/329656244.db2.gz ZFEZWBXBJKWZEO-KRWDZBQOSA-N 1 2 293.374 1.859 20 30 CDEDLO COc1cc(Cl)ccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000421816126 330085882 /nfs/dbraw/zinc/08/58/82/330085882.db2.gz WRMDOLJLTSVFIE-GFCCVEGCSA-N 1 2 298.770 1.934 20 30 CDEDLO COc1cc(Cl)ccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000421816126 330085883 /nfs/dbraw/zinc/08/58/83/330085883.db2.gz WRMDOLJLTSVFIE-GFCCVEGCSA-N 1 2 298.770 1.934 20 30 CDEDLO C#CC[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278261411 330119005 /nfs/dbraw/zinc/11/90/05/330119005.db2.gz QOXRJQGGVWVZHS-UHFFFAOYSA-N 1 2 263.253 1.958 20 30 CDEDLO C#CC[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278261411 330119007 /nfs/dbraw/zinc/11/90/07/330119007.db2.gz QOXRJQGGVWVZHS-UHFFFAOYSA-N 1 2 263.253 1.958 20 30 CDEDLO Cc1cc(NC(=O)CCc2c[nH+]cn2C)n(CCC#N)n1 ZINC000527526740 330257414 /nfs/dbraw/zinc/25/74/14/330257414.db2.gz CWXIVSFRXBHNFK-UHFFFAOYSA-N 1 2 286.339 1.410 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccc(OC)c(F)c2)nn1 ZINC000424172426 330312347 /nfs/dbraw/zinc/31/23/47/330312347.db2.gz NXRJEJPFQULRRW-UHFFFAOYSA-N 1 2 276.315 1.902 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1cccc(F)c1F ZINC000514793342 330465398 /nfs/dbraw/zinc/46/53/98/330465398.db2.gz SNBUSPCURVESDQ-AWEZNQCLSA-N 1 2 281.306 1.467 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(Cl)o1 ZINC000434982948 330647137 /nfs/dbraw/zinc/64/71/37/330647137.db2.gz SHGCEVOPJCKQCZ-UHFFFAOYSA-N 1 2 297.786 1.981 20 30 CDEDLO C=C(C)CS(=O)(=O)N(CCOC)c1cc[nH+]cc1 ZINC000435433835 330655317 /nfs/dbraw/zinc/65/53/17/330655317.db2.gz UTADMSMCTAIMON-UHFFFAOYSA-N 1 2 270.354 1.440 20 30 CDEDLO C[C@@H]1C[C@]1(C#N)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000448562214 330657689 /nfs/dbraw/zinc/65/76/89/330657689.db2.gz BSXFEJHKOWXQAQ-IUODEOHRSA-N 1 2 270.336 1.280 20 30 CDEDLO C=C(C)CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000163030763 330975427 /nfs/dbraw/zinc/97/54/27/330975427.db2.gz IGICPOGSFFKHHL-AWEZNQCLSA-N 1 2 299.440 1.070 20 30 CDEDLO C=CC(C)(C)CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000454525502 331147970 /nfs/dbraw/zinc/14/79/70/331147970.db2.gz KILCFTKJIDPPNS-UHFFFAOYSA-N 1 2 283.416 1.609 20 30 CDEDLO C=CC(C)(C)CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000454525502 331147971 /nfs/dbraw/zinc/14/79/71/331147971.db2.gz KILCFTKJIDPPNS-UHFFFAOYSA-N 1 2 283.416 1.609 20 30 CDEDLO C[C@@H](NC(=O)NCC(C)(C)CC#N)[C@H](C)[NH+]1CCOCC1 ZINC000458336345 331249339 /nfs/dbraw/zinc/24/93/39/331249339.db2.gz LKGJVFFRPYIJSG-OLZOCXBDSA-N 1 2 296.415 1.335 20 30 CDEDLO C=C(C)CNC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000488602673 332020174 /nfs/dbraw/zinc/02/01/74/332020174.db2.gz WZZPAAWXBKJCIL-GFCCVEGCSA-N 1 2 262.357 1.944 20 30 CDEDLO C=CCCCS(=O)(=O)N(CCOC)c1cc[nH+]cc1 ZINC000489713714 332065658 /nfs/dbraw/zinc/06/56/58/332065658.db2.gz DXYXRQKRIQYQRL-UHFFFAOYSA-N 1 2 284.381 1.830 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)Cc1csc(CC(=O)NC)n1 ZINC000491166913 332160393 /nfs/dbraw/zinc/16/03/93/332160393.db2.gz VDUIQDODMOPXHX-UHFFFAOYSA-N 1 2 265.382 1.275 20 30 CDEDLO C#CC(C)(C)[N@H+](C)Cc1csc(CC(=O)NC)n1 ZINC000491166913 332160394 /nfs/dbraw/zinc/16/03/94/332160394.db2.gz VDUIQDODMOPXHX-UHFFFAOYSA-N 1 2 265.382 1.275 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000491277739 332179600 /nfs/dbraw/zinc/17/96/00/332179600.db2.gz PQOOTUCXACALFU-OLZOCXBDSA-N 1 2 274.368 1.732 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000491327819 332191466 /nfs/dbraw/zinc/19/14/66/332191466.db2.gz YAZBZGWSRKJNJI-LLVKDONJSA-N 1 2 272.270 1.108 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)c1cc(C)n(CCOC)c1C ZINC000491371791 332198780 /nfs/dbraw/zinc/19/87/80/332198780.db2.gz GVORWJHDRULJCP-GFCCVEGCSA-N 1 2 276.380 1.888 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)c1cc(C)n(CCOC)c1C ZINC000491371791 332198781 /nfs/dbraw/zinc/19/87/81/332198781.db2.gz GVORWJHDRULJCP-GFCCVEGCSA-N 1 2 276.380 1.888 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000491427027 332209278 /nfs/dbraw/zinc/20/92/78/332209278.db2.gz IOLMIFZPRDASRJ-AVERBVTBSA-N 1 2 277.368 1.398 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000491427027 332209279 /nfs/dbraw/zinc/20/92/79/332209279.db2.gz IOLMIFZPRDASRJ-AVERBVTBSA-N 1 2 277.368 1.398 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N[C@H](C)Cc1ccccc1C ZINC000491495651 332222706 /nfs/dbraw/zinc/22/27/06/332222706.db2.gz KQGHRZXTZVHVDN-CQSZACIVSA-N 1 2 258.365 1.607 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N[C@H](C)Cc1ccccc1C ZINC000491495651 332222708 /nfs/dbraw/zinc/22/27/08/332222708.db2.gz KQGHRZXTZVHVDN-CQSZACIVSA-N 1 2 258.365 1.607 20 30 CDEDLO C#CC(C)(C)[N@H+](C)CC(=O)Nc1nc2c(s1)CCC2 ZINC000491651718 332264879 /nfs/dbraw/zinc/26/48/79/332264879.db2.gz INDRZWWWBAAGEY-UHFFFAOYSA-N 1 2 277.393 1.914 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1nc2c(s1)CCC2 ZINC000491651718 332264880 /nfs/dbraw/zinc/26/48/80/332264880.db2.gz INDRZWWWBAAGEY-UHFFFAOYSA-N 1 2 277.393 1.914 20 30 CDEDLO C#C[C@H]1COCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000491652274 332265151 /nfs/dbraw/zinc/26/51/51/332265151.db2.gz LRVLDENCNOWLHY-AWEZNQCLSA-N 1 2 281.315 1.347 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H]2CCC=CO2)n1 ZINC000491662665 332272243 /nfs/dbraw/zinc/27/22/43/332272243.db2.gz ORQWTGNARWYMAO-MRXNPFEDSA-N 1 2 289.379 1.657 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H]2CCC=CO2)n1 ZINC000491662665 332272244 /nfs/dbraw/zinc/27/22/44/332272244.db2.gz ORQWTGNARWYMAO-MRXNPFEDSA-N 1 2 289.379 1.657 20 30 CDEDLO C#C[C@@H](CC)NC(=O)[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000491670601 332277812 /nfs/dbraw/zinc/27/78/12/332277812.db2.gz DMBFICFHQPDCOZ-LSDHHAIUSA-N 1 2 280.412 1.651 20 30 CDEDLO C#C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000491711440 332302832 /nfs/dbraw/zinc/30/28/32/332302832.db2.gz WQPSDNCORXXYBT-NEPJUHHUSA-N 1 2 259.353 1.610 20 30 CDEDLO C#C[C@@H](CC)NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000491780111 332344672 /nfs/dbraw/zinc/34/46/72/332344672.db2.gz IGBMYSAPIDCBGY-NWDGAFQWSA-N 1 2 274.368 1.924 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000491813284 332365186 /nfs/dbraw/zinc/36/51/86/332365186.db2.gz GYMYCPTYMJUQSZ-SNVBAGLBSA-N 1 2 276.292 1.915 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000491813284 332365188 /nfs/dbraw/zinc/36/51/88/332365188.db2.gz GYMYCPTYMJUQSZ-SNVBAGLBSA-N 1 2 276.292 1.915 20 30 CDEDLO C=CCCOCCNC(=O)/C=C\c1[nH+]ccn1CC ZINC000492465407 332398725 /nfs/dbraw/zinc/39/87/25/332398725.db2.gz YRDNKBZVJAWTSY-SREVYHEPSA-N 1 2 263.341 1.625 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CC[C@@H]1CCCCO1 ZINC000521882252 333195612 /nfs/dbraw/zinc/19/56/12/333195612.db2.gz BSLDCDFQECGNEC-JSGCOSHPSA-N 1 2 267.373 1.296 20 30 CDEDLO N#CCNC(=O)C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000528573107 333446726 /nfs/dbraw/zinc/44/67/26/333446726.db2.gz AGBDNCPMYFQDIU-UHFFFAOYSA-N 1 2 291.326 1.309 20 30 CDEDLO N#CCC1CC[NH+](Cc2cn(Cc3cccnc3)nn2)CC1 ZINC000543415006 333872712 /nfs/dbraw/zinc/87/27/12/333872712.db2.gz VXLVTRWOOYGULJ-UHFFFAOYSA-N 1 2 296.378 1.847 20 30 CDEDLO CN(Cc1c[nH+]c[nH]1)S(=O)(=O)CC(C)(C)CC#N ZINC000576173457 335165267 /nfs/dbraw/zinc/16/52/67/335165267.db2.gz QRGVBCCKXRRNPP-UHFFFAOYSA-N 1 2 270.358 1.111 20 30 CDEDLO CN(Cc1c[nH]c[nH+]1)S(=O)(=O)CC(C)(C)CC#N ZINC000576173457 335165269 /nfs/dbraw/zinc/16/52/69/335165269.db2.gz QRGVBCCKXRRNPP-UHFFFAOYSA-N 1 2 270.358 1.111 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000548096811 334139730 /nfs/dbraw/zinc/13/97/30/334139730.db2.gz ZLVRWWGNUIJFIO-MBNYWOFBSA-N 1 2 291.395 1.437 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000548096811 334139731 /nfs/dbraw/zinc/13/97/31/334139731.db2.gz ZLVRWWGNUIJFIO-MBNYWOFBSA-N 1 2 291.395 1.437 20 30 CDEDLO C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1cccs1 ZINC000577161566 335312518 /nfs/dbraw/zinc/31/25/18/335312518.db2.gz VTIPAFWGMXLFKS-GWCFXTLKSA-N 1 2 265.382 1.812 20 30 CDEDLO CC(C)C[C@H](C)OCCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000578326753 335610855 /nfs/dbraw/zinc/61/08/55/335610855.db2.gz DKERIKZKPNISKQ-DZGCQCFKSA-N 1 2 283.416 1.788 20 30 CDEDLO C=CCN(C(=O)Nc1cc[nH+]cc1C)[C@@H](C)COC ZINC000666493422 482735629 /nfs/dbraw/zinc/73/56/29/482735629.db2.gz DEGZKBVBQCSCDA-LBPRGKRZSA-N 1 2 263.341 1.867 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2sccc2OC)[C@H](OC)C1 ZINC001082335903 1161574116 /nfs/dbraw/zinc/57/41/16/1161574116.db2.gz LBXPJJDYTIUVDS-ZYHUDNBSSA-N 1 2 296.392 1.372 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2sccc2OC)[C@H](OC)C1 ZINC001082335903 1161574122 /nfs/dbraw/zinc/57/41/22/1161574122.db2.gz LBXPJJDYTIUVDS-ZYHUDNBSSA-N 1 2 296.392 1.372 20 30 CDEDLO Cc1noc([C@H]2CCCN2C(=O)NCc2[nH+]ccn2C)n1 ZINC000329197742 534478661 /nfs/dbraw/zinc/47/86/61/534478661.db2.gz ABLXMRIMNGWMTC-SNVBAGLBSA-N 1 2 290.327 1.363 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCCCCNC(C)=O)CC1 ZINC001113612589 1162237539 /nfs/dbraw/zinc/23/75/39/1162237539.db2.gz GQDDIUVWMBBYDS-UHFFFAOYSA-N 1 2 281.400 1.013 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](O)C1 ZINC000246382046 523938283 /nfs/dbraw/zinc/93/82/83/523938283.db2.gz IFTMDMFVMGQENX-KGLIPLIRSA-N 1 2 274.320 1.229 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](O)C1 ZINC000246382046 523938284 /nfs/dbraw/zinc/93/82/84/523938284.db2.gz IFTMDMFVMGQENX-KGLIPLIRSA-N 1 2 274.320 1.229 20 30 CDEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1csc(=O)[nH]1 ZINC000329967081 534763632 /nfs/dbraw/zinc/76/36/32/534763632.db2.gz WAARKHVUPDOFQL-ZCFIWIBFSA-N 1 2 264.310 1.434 20 30 CDEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1csc(=O)[nH]1 ZINC000329967081 534763636 /nfs/dbraw/zinc/76/36/36/534763636.db2.gz WAARKHVUPDOFQL-ZCFIWIBFSA-N 1 2 264.310 1.434 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@H](C2CC2)O1 ZINC000366343328 524582669 /nfs/dbraw/zinc/58/26/69/524582669.db2.gz SDWZPIJJRIKLCE-BLLLJJGKSA-N 1 2 299.374 1.996 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@H](C2CC2)O1 ZINC000366343328 524582674 /nfs/dbraw/zinc/58/26/74/524582674.db2.gz SDWZPIJJRIKLCE-BLLLJJGKSA-N 1 2 299.374 1.996 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)Nc1ncc([N+](=O)[O-])cc1C#N ZINC000050442457 524966014 /nfs/dbraw/zinc/96/60/14/524966014.db2.gz DGRULGRXPVVKKR-VIFPVBQESA-N 1 2 272.268 1.559 20 30 CDEDLO CC#CCN(C)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000344190117 526344342 /nfs/dbraw/zinc/34/43/42/526344342.db2.gz RCXACQUHJIURTB-UHFFFAOYSA-N 1 2 296.330 1.293 20 30 CDEDLO N#Cc1nccnc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000068901220 526794404 /nfs/dbraw/zinc/79/44/04/526794404.db2.gz AOIVKPDBASLYNJ-UHFFFAOYSA-N 1 2 295.346 1.376 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000333302880 527475258 /nfs/dbraw/zinc/47/52/58/527475258.db2.gz CHVOPOMNHKTKCW-QKCSRTOESA-N 1 2 290.367 1.300 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000333302880 527475265 /nfs/dbraw/zinc/47/52/65/527475265.db2.gz CHVOPOMNHKTKCW-QKCSRTOESA-N 1 2 290.367 1.300 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000347616789 527530373 /nfs/dbraw/zinc/53/03/73/527530373.db2.gz VOYXFWYTPSDITR-ZBFHGGJFSA-N 1 2 298.427 1.442 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000347616789 527530379 /nfs/dbraw/zinc/53/03/79/527530379.db2.gz VOYXFWYTPSDITR-ZBFHGGJFSA-N 1 2 298.427 1.442 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000331465550 527936339 /nfs/dbraw/zinc/93/63/39/527936339.db2.gz LFXLLGDAPJOHMM-XPKDYRNWSA-N 1 2 293.411 1.540 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000331465550 527936345 /nfs/dbraw/zinc/93/63/45/527936345.db2.gz LFXLLGDAPJOHMM-XPKDYRNWSA-N 1 2 293.411 1.540 20 30 CDEDLO CCOCCCNC(=O)[C@H](C)[N@H+](C)C[C@H](C)C#N ZINC000353465609 528686811 /nfs/dbraw/zinc/68/68/11/528686811.db2.gz YTPAUZAHXGKGLD-NEPJUHHUSA-N 1 2 255.362 1.009 20 30 CDEDLO CCOCCCNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000353465609 528686814 /nfs/dbraw/zinc/68/68/14/528686814.db2.gz YTPAUZAHXGKGLD-NEPJUHHUSA-N 1 2 255.362 1.009 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000332381481 528849630 /nfs/dbraw/zinc/84/96/30/528849630.db2.gz OPMLRGGDDLXMBF-IUODEOHRSA-N 1 2 289.383 1.601 20 30 CDEDLO C[C@H](NC(=O)NC[C@]1(C)CCOC1)[C@H](C)[NH+]1CCOCC1 ZINC000329403395 538565251 /nfs/dbraw/zinc/56/52/51/538565251.db2.gz YTMYVIRRRDILAB-YDHLFZDLSA-N 1 2 299.415 1.026 20 30 CDEDLO N#CCCNC(=O)C[N@H+]1CCc2c(Cl)cccc2C1 ZINC000739919126 574508755 /nfs/dbraw/zinc/50/87/55/574508755.db2.gz HZKOUAPTFXRXTO-UHFFFAOYSA-N 1 2 277.755 1.728 20 30 CDEDLO N#CCCNC(=O)C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000739919126 574508756 /nfs/dbraw/zinc/50/87/56/574508756.db2.gz HZKOUAPTFXRXTO-UHFFFAOYSA-N 1 2 277.755 1.728 20 30 CDEDLO O=S1(=O)C=C(NNc2cnc3ccccc3[nH+]2)CC1 ZINC000727255388 574558385 /nfs/dbraw/zinc/55/83/85/574558385.db2.gz AZRWMHBRIMXIQW-UHFFFAOYSA-N 1 2 276.321 1.216 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[NH+]2Cc3ccccc3C2)nc1 ZINC000728862834 574662633 /nfs/dbraw/zinc/66/26/33/574662633.db2.gz NPZZTLFGWFKXLR-UHFFFAOYSA-N 1 2 291.354 1.809 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1sccc1C ZINC000730098613 574849455 /nfs/dbraw/zinc/84/94/55/574849455.db2.gz LCVNYRNMYFBQJQ-LBPRGKRZSA-N 1 2 262.378 1.770 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1sccc1C ZINC000730098613 574849456 /nfs/dbraw/zinc/84/94/56/574849456.db2.gz LCVNYRNMYFBQJQ-LBPRGKRZSA-N 1 2 262.378 1.770 20 30 CDEDLO COCC[N@H+](CCC#N)C[C@@H]1CC(C(=O)OC)=C(C)O1 ZINC000759853649 574926209 /nfs/dbraw/zinc/92/62/09/574926209.db2.gz IXZHKKICCREXKZ-LBPRGKRZSA-N 1 2 282.340 1.084 20 30 CDEDLO COCC[N@@H+](CCC#N)C[C@@H]1CC(C(=O)OC)=C(C)O1 ZINC000759853649 574926211 /nfs/dbraw/zinc/92/62/11/574926211.db2.gz IXZHKKICCREXKZ-LBPRGKRZSA-N 1 2 282.340 1.084 20 30 CDEDLO CO[C@@H]1CCC[C@@H]1C/[NH+]=C/c1c(CO)cnc(C)c1O ZINC000774540217 575213083 /nfs/dbraw/zinc/21/30/83/575213083.db2.gz CKYONIJVXMMMMU-DGWNEDMESA-N 1 2 278.352 1.822 20 30 CDEDLO C#C[C@H](C)NC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000773598936 575829294 /nfs/dbraw/zinc/82/92/94/575829294.db2.gz QNIPTADPTDMVNY-JTQLQIEISA-N 1 2 256.309 1.464 20 30 CDEDLO C#CCCOC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000765478677 576028392 /nfs/dbraw/zinc/02/83/92/576028392.db2.gz FXJPZJDWLXNEJA-INIZCTEOSA-N 1 2 287.359 1.844 20 30 CDEDLO C#CCCOC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000765478677 576028396 /nfs/dbraw/zinc/02/83/96/576028396.db2.gz FXJPZJDWLXNEJA-INIZCTEOSA-N 1 2 287.359 1.844 20 30 CDEDLO C=CC[N@H+](CCC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000767427252 576192387 /nfs/dbraw/zinc/19/23/87/576192387.db2.gz XMNHNSMEVBMKDS-LBPRGKRZSA-N 1 2 271.382 1.031 20 30 CDEDLO C=CC[N@@H+](CCC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000767427252 576192389 /nfs/dbraw/zinc/19/23/89/576192389.db2.gz XMNHNSMEVBMKDS-LBPRGKRZSA-N 1 2 271.382 1.031 20 30 CDEDLO CCOc1ccc(/C=[NH+]\Cc2ncn(C)n2)c(O)c1 ZINC000768269848 576267741 /nfs/dbraw/zinc/26/77/41/576267741.db2.gz RFMQNMRFIMWGLJ-AUWJEWJLSA-N 1 2 260.297 1.539 20 30 CDEDLO C#CCN(CC#CC)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000742130705 576582591 /nfs/dbraw/zinc/58/25/91/576582591.db2.gz PPLYOKLWZPIDTL-UHFFFAOYSA-N 1 2 278.315 1.366 20 30 CDEDLO Cc1nc(NCCNc2ncccc2C#N)cc[nH+]1 ZINC000742255005 576593388 /nfs/dbraw/zinc/59/33/88/576593388.db2.gz XAUXPWMEWPXVQB-UHFFFAOYSA-N 1 2 254.297 1.576 20 30 CDEDLO Cc1cccnc1CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761837858 576596908 /nfs/dbraw/zinc/59/69/08/576596908.db2.gz XDXOGQWFHPZMII-UHFFFAOYSA-N 1 2 279.307 1.812 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000742769115 576616108 /nfs/dbraw/zinc/61/61/08/576616108.db2.gz YYCARHJZOVPBTQ-XQQFMLRXSA-N 1 2 266.410 1.436 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000742769115 576616110 /nfs/dbraw/zinc/61/61/10/576616110.db2.gz YYCARHJZOVPBTQ-XQQFMLRXSA-N 1 2 266.410 1.436 20 30 CDEDLO COCC#CC[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000762925594 576694085 /nfs/dbraw/zinc/69/40/85/576694085.db2.gz IQDNEHNCFJGSBU-OKILXGFUSA-N 1 2 296.411 1.966 20 30 CDEDLO COCC#CC[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000762925594 576694088 /nfs/dbraw/zinc/69/40/88/576694088.db2.gz IQDNEHNCFJGSBU-OKILXGFUSA-N 1 2 296.411 1.966 20 30 CDEDLO COc1ncnc(N)c1C=[NH+][N-]c1cc[nH+]c2ccccc12 ZINC000747631141 576877782 /nfs/dbraw/zinc/87/77/82/576877782.db2.gz BMSGSJVUHBNTQZ-UHFFFAOYSA-N 1 2 294.318 1.484 20 30 CDEDLO C#CCNC(=O)C[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000754856058 576919118 /nfs/dbraw/zinc/91/91/18/576919118.db2.gz AZJVIYABHDSEIQ-GFCCVEGCSA-N 1 2 283.331 1.742 20 30 CDEDLO CCCCCCCCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000754854754 576919222 /nfs/dbraw/zinc/91/92/22/576919222.db2.gz IUECGBLADCLRJV-OAHLLOKOSA-N 1 2 298.475 1.892 20 30 CDEDLO CCCCCCCCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000754854754 576919225 /nfs/dbraw/zinc/91/92/25/576919225.db2.gz IUECGBLADCLRJV-OAHLLOKOSA-N 1 2 298.475 1.892 20 30 CDEDLO C#CCOCCC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000755644907 576953655 /nfs/dbraw/zinc/95/36/55/576953655.db2.gz OXJQRHBCCZSMRK-UHFFFAOYSA-N 1 2 271.320 1.299 20 30 CDEDLO C#CCNC(=S)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000758172873 577076790 /nfs/dbraw/zinc/07/67/90/577076790.db2.gz QJAQVDZRLKRNJY-RMKNXTFCSA-N 1 2 299.443 1.825 20 30 CDEDLO CC(=O)OC1CC[NH+](Cn2ccc(C)c(C#N)c2=O)CC1 ZINC000758243310 577089292 /nfs/dbraw/zinc/08/92/92/577089292.db2.gz PMRZDGPYPDIWJN-UHFFFAOYSA-N 1 2 289.335 1.013 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CCc2ccccc21 ZINC000752556924 577112792 /nfs/dbraw/zinc/11/27/92/577112792.db2.gz QKICMQZNQBKOEC-FUHWJXTLSA-N 1 2 298.386 1.034 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CCc2ccccc21 ZINC000752556924 577112794 /nfs/dbraw/zinc/11/27/94/577112794.db2.gz QKICMQZNQBKOEC-FUHWJXTLSA-N 1 2 298.386 1.034 20 30 CDEDLO N#Cc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)c(F)c1 ZINC000822825649 599432288 /nfs/dbraw/zinc/43/22/88/599432288.db2.gz KCVMAWYEASLIAH-UHFFFAOYSA-N 1 2 298.281 1.760 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(CC)on2)C1 ZINC000957294495 612991812 /nfs/dbraw/zinc/99/18/12/612991812.db2.gz AIRNQPDNMKASNT-UHFFFAOYSA-N 1 2 275.352 1.407 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnc(C3CC3)o2)C1 ZINC000950532207 612992989 /nfs/dbraw/zinc/99/29/89/612992989.db2.gz XBGXGJZZRRLULN-UHFFFAOYSA-N 1 2 287.363 1.722 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C)CC)CC2)C1 ZINC000949306406 613210469 /nfs/dbraw/zinc/21/04/69/613210469.db2.gz XDFQCGVWQGHILB-AWEZNQCLSA-N 1 2 278.396 1.359 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)CC)CC2)C1 ZINC000949306406 613210470 /nfs/dbraw/zinc/21/04/70/613210470.db2.gz XDFQCGVWQGHILB-AWEZNQCLSA-N 1 2 278.396 1.359 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccns2)C1 ZINC000966491560 613220882 /nfs/dbraw/zinc/22/08/82/613220882.db2.gz PBXRRDDFBPICDZ-GHMZBOCLSA-N 1 2 263.366 1.217 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccns2)C1 ZINC000966491560 613220884 /nfs/dbraw/zinc/22/08/84/613220884.db2.gz PBXRRDDFBPICDZ-GHMZBOCLSA-N 1 2 263.366 1.217 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000981741343 613240365 /nfs/dbraw/zinc/24/03/65/613240365.db2.gz YEKLCBNEVBEGKE-UHFFFAOYSA-N 1 2 295.427 1.211 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000981741343 613240367 /nfs/dbraw/zinc/24/03/67/613240367.db2.gz YEKLCBNEVBEGKE-UHFFFAOYSA-N 1 2 295.427 1.211 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccns2)C1 ZINC000966491563 613254618 /nfs/dbraw/zinc/25/46/18/613254618.db2.gz PBXRRDDFBPICDZ-WDEREUQCSA-N 1 2 263.366 1.217 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccns2)C1 ZINC000966491563 613254619 /nfs/dbraw/zinc/25/46/19/613254619.db2.gz PBXRRDDFBPICDZ-WDEREUQCSA-N 1 2 263.366 1.217 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 ZINC000949175971 613319521 /nfs/dbraw/zinc/31/95/21/613319521.db2.gz NLPCICIPDTYNLL-MRXNPFEDSA-N 1 2 286.375 1.710 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cccnc2OC)CC1 ZINC000949999504 613321439 /nfs/dbraw/zinc/32/14/39/613321439.db2.gz PPPOACVSXQAMHH-UHFFFAOYSA-N 1 2 275.352 1.424 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2nn(C)c3ccccc32)CC1 ZINC000957384485 613322334 /nfs/dbraw/zinc/32/23/34/613322334.db2.gz SXYWKSUIAQNMRL-UHFFFAOYSA-N 1 2 298.390 1.907 20 30 CDEDLO C=C(Cl)CN1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000950962258 613374744 /nfs/dbraw/zinc/37/47/44/613374744.db2.gz LGIDPZXDHHKGOF-CYBMUJFWSA-N 1 2 296.802 1.731 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccon2)C1 ZINC000972078448 613434422 /nfs/dbraw/zinc/43/44/22/613434422.db2.gz HLOIIFWRQHJPQE-CYBMUJFWSA-N 1 2 277.368 1.920 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccon2)C1 ZINC000972078448 613434423 /nfs/dbraw/zinc/43/44/23/613434423.db2.gz HLOIIFWRQHJPQE-CYBMUJFWSA-N 1 2 277.368 1.920 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2ccncc2Cl)CC1 ZINC000950514211 613563839 /nfs/dbraw/zinc/56/38/39/613563839.db2.gz RGTMPUCEBBKNKP-UHFFFAOYSA-N 1 2 291.782 1.445 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C=C3CCC3)C2)C1 ZINC000972335590 613571021 /nfs/dbraw/zinc/57/10/21/613571021.db2.gz KMISGOUVYYYXGE-QGZVFWFLSA-N 1 2 288.391 1.423 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C=C3CCC3)C2)C1 ZINC000972335590 613571024 /nfs/dbraw/zinc/57/10/24/613571024.db2.gz KMISGOUVYYYXGE-QGZVFWFLSA-N 1 2 288.391 1.423 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccccc3)C2)C1 ZINC000972231964 613571248 /nfs/dbraw/zinc/57/12/48/613571248.db2.gz YICIRXPRZSLAEN-SFHVURJKSA-N 1 2 298.386 1.627 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccccc3)C2)C1 ZINC000972231964 613571249 /nfs/dbraw/zinc/57/12/49/613571249.db2.gz YICIRXPRZSLAEN-SFHVURJKSA-N 1 2 298.386 1.627 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2Cc3ccncc3C2)C1 ZINC000951756921 613654738 /nfs/dbraw/zinc/65/47/38/613654738.db2.gz GCULDHZFTZTTTG-CQSZACIVSA-N 1 2 285.391 1.515 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@@H]2OCC)C1 ZINC000949716499 613655894 /nfs/dbraw/zinc/65/58/94/613655894.db2.gz VTRMGCHICZXXRW-STQMWFEESA-N 1 2 252.358 1.130 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCO[C@@H]2C(C)C)CC1 ZINC000948694521 613711149 /nfs/dbraw/zinc/71/11/49/613711149.db2.gz RSSVPRKEEJAVCX-ZIAGYGMSSA-N 1 2 266.385 1.378 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2Cc3cccnc3C2)CC1 ZINC000957464865 613713177 /nfs/dbraw/zinc/71/31/77/613713177.db2.gz RVAGQOHSSBZJJQ-AWEZNQCLSA-N 1 2 271.364 1.127 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]nc2-c2cccnc2)CC1 ZINC000951783608 613714282 /nfs/dbraw/zinc/71/42/82/613714282.db2.gz HMHZDERXRIYUIU-UHFFFAOYSA-N 1 2 297.362 1.416 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cn(C)nc2C2CCC2)CC1 ZINC000948931898 613717455 /nfs/dbraw/zinc/71/74/55/613717455.db2.gz HOCZVGAKDVCKNL-UHFFFAOYSA-N 1 2 288.395 1.631 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccccc3)C2)C1 ZINC000972230052 613724667 /nfs/dbraw/zinc/72/46/67/613724667.db2.gz HAGAKFQIIXYWFF-KRWDZBQOSA-N 1 2 286.375 1.790 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccccc3)C2)C1 ZINC000972230052 613724670 /nfs/dbraw/zinc/72/46/70/613724670.db2.gz HAGAKFQIIXYWFF-KRWDZBQOSA-N 1 2 286.375 1.790 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(CC)CC3)C2)C1 ZINC000972539864 613725012 /nfs/dbraw/zinc/72/50/12/613725012.db2.gz INSOWBRSTXXLSM-MRXNPFEDSA-N 1 2 278.396 1.666 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(CC)CC3)C2)C1 ZINC000972539864 613725015 /nfs/dbraw/zinc/72/50/15/613725015.db2.gz INSOWBRSTXXLSM-MRXNPFEDSA-N 1 2 278.396 1.666 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCCO3)C2)C1 ZINC000972270216 613725461 /nfs/dbraw/zinc/72/54/61/613725461.db2.gz APGPVMLJSYXUHA-GDBMZVCRSA-N 1 2 294.395 1.045 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCCO3)C2)C1 ZINC000972270216 613725464 /nfs/dbraw/zinc/72/54/64/613725464.db2.gz APGPVMLJSYXUHA-GDBMZVCRSA-N 1 2 294.395 1.045 20 30 CDEDLO Cn1nccc1[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000933538237 617487294 /nfs/dbraw/zinc/48/72/94/617487294.db2.gz COBQGDCUOVOMMQ-SCRDCRAPSA-N 1 2 260.341 1.486 20 30 CDEDLO Cn1nccc1[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000933538237 617487298 /nfs/dbraw/zinc/48/72/98/617487298.db2.gz COBQGDCUOVOMMQ-SCRDCRAPSA-N 1 2 260.341 1.486 20 30 CDEDLO C=C[C@H](CC)CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000933661320 617575426 /nfs/dbraw/zinc/57/54/26/617575426.db2.gz UGMNSVBLNRGLNZ-CABCVRRESA-N 1 2 280.412 1.912 20 30 CDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932150583 617949425 /nfs/dbraw/zinc/94/94/25/617949425.db2.gz CWLGWZDZAXZNEU-ZFWWWQNUSA-N 1 2 285.347 1.534 20 30 CDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](C#N)C1 ZINC000932150583 617949444 /nfs/dbraw/zinc/94/94/44/617949444.db2.gz CWLGWZDZAXZNEU-ZFWWWQNUSA-N 1 2 285.347 1.534 20 30 CDEDLO COCCOc1ccc(C[NH2+]CC(C)(C)C#N)o1 ZINC000893552241 618106948 /nfs/dbraw/zinc/10/69/48/618106948.db2.gz SKDPKGPJUPUJLP-UHFFFAOYSA-N 1 2 252.314 1.944 20 30 CDEDLO CN(C)c1cc(N2Cc3cccc(C#N)c3C2)nc[nH+]1 ZINC000894411018 618869277 /nfs/dbraw/zinc/86/92/77/618869277.db2.gz BMSCDDSCDYMRCI-UHFFFAOYSA-N 1 2 265.320 1.934 20 30 CDEDLO CN(C)c1cc(N2Cc3cccc(C#N)c3C2)[nH+]cn1 ZINC000894411018 618869280 /nfs/dbraw/zinc/86/92/80/618869280.db2.gz BMSCDDSCDYMRCI-UHFFFAOYSA-N 1 2 265.320 1.934 20 30 CDEDLO Cc1nc(CN2CC[NH+](C[C@@H](C)CCC#N)CC2)n[nH]1 ZINC000895265343 619507464 /nfs/dbraw/zinc/50/74/64/619507464.db2.gz MOWVHVUVVNBXPG-LBPRGKRZSA-N 1 2 276.388 1.171 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)OC)CC1 ZINC000897236005 620435099 /nfs/dbraw/zinc/43/50/99/620435099.db2.gz WSJFOVPSKRCOOC-ZDUSSCGKSA-N 1 2 291.351 1.356 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)OC)CC1 ZINC000897236005 620435101 /nfs/dbraw/zinc/43/51/01/620435101.db2.gz WSJFOVPSKRCOOC-ZDUSSCGKSA-N 1 2 291.351 1.356 20 30 CDEDLO C=CCCC(=O)COC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000923888838 621626794 /nfs/dbraw/zinc/62/67/94/621626794.db2.gz GSBOQKNJRUYCBJ-ZDUSSCGKSA-N 1 2 253.342 1.938 20 30 CDEDLO C=CCCC(=O)COC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000923888838 621626796 /nfs/dbraw/zinc/62/67/96/621626796.db2.gz GSBOQKNJRUYCBJ-ZDUSSCGKSA-N 1 2 253.342 1.938 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cccc2c1OCCO2 ZINC000901707671 624424000 /nfs/dbraw/zinc/42/40/00/624424000.db2.gz YZJBHLNXZCZELM-LBPRGKRZSA-N 1 2 271.320 1.991 20 30 CDEDLO C=CCCC[C@H]([NH3+])c1nc(CS(=O)(=O)CCC)no1 ZINC000904688410 626333910 /nfs/dbraw/zinc/33/39/10/626333910.db2.gz ANHIZZCPTWXIKI-JTQLQIEISA-N 1 2 287.385 1.751 20 30 CDEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1cc(CO)on1 ZINC000905077059 626618775 /nfs/dbraw/zinc/61/87/75/626618775.db2.gz QIAAVNNFDYYKPK-ARJAWSKDSA-N 1 2 261.281 1.840 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H](C#N)C1 ZINC000905143249 626655409 /nfs/dbraw/zinc/65/54/09/626655409.db2.gz XNPWQRYFLRILNX-NEPJUHHUSA-N 1 2 261.329 1.217 20 30 CDEDLO C#CC[N@H+](CN1C(=O)C[C@]2(CCSC2)C1=O)C(C)C ZINC000905741002 626955681 /nfs/dbraw/zinc/95/56/81/626955681.db2.gz AOBLNYWTJPAHBT-AWEZNQCLSA-N 1 2 280.393 1.170 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)C[C@]2(CCSC2)C1=O)C(C)C ZINC000905741002 626955684 /nfs/dbraw/zinc/95/56/84/626955684.db2.gz AOBLNYWTJPAHBT-AWEZNQCLSA-N 1 2 280.393 1.170 20 30 CDEDLO C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000908652616 628316458 /nfs/dbraw/zinc/31/64/58/628316458.db2.gz POOKRBJPHXGZEP-ZFWWWQNUSA-N 1 2 294.395 1.233 20 30 CDEDLO C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000908652616 628316462 /nfs/dbraw/zinc/31/64/62/628316462.db2.gz POOKRBJPHXGZEP-ZFWWWQNUSA-N 1 2 294.395 1.233 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cncc(SC)c1 ZINC000911053713 629153491 /nfs/dbraw/zinc/15/34/91/629153491.db2.gz WZNJMOUKIGIOHO-ZDUSSCGKSA-N 1 2 275.377 1.840 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cncc(SC)c1 ZINC000911053713 629153493 /nfs/dbraw/zinc/15/34/93/629153493.db2.gz WZNJMOUKIGIOHO-ZDUSSCGKSA-N 1 2 275.377 1.840 20 30 CDEDLO C[Si](C)(C)C#CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000912327992 629939202 /nfs/dbraw/zinc/93/92/02/629939202.db2.gz BGHKRHYDAUDEEC-UHFFFAOYSA-N 1 2 263.417 1.729 20 30 CDEDLO C[C@H](CO)N(C)N=C1CC[N@H+](Cc2ccccc2)C1 ZINC000842543533 630695201 /nfs/dbraw/zinc/69/52/01/630695201.db2.gz KMJZWZWYAFYGIM-CYBMUJFWSA-N 1 2 261.369 1.561 20 30 CDEDLO C[C@H](CO)N(C)N=C1CC[N@@H+](Cc2ccccc2)C1 ZINC000842543533 630695202 /nfs/dbraw/zinc/69/52/02/630695202.db2.gz KMJZWZWYAFYGIM-CYBMUJFWSA-N 1 2 261.369 1.561 20 30 CDEDLO C#CCN(C(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)C ZINC000913877008 630856797 /nfs/dbraw/zinc/85/67/97/630856797.db2.gz SYWIJGIUVQYLLD-UHFFFAOYSA-N 1 2 281.400 1.150 20 30 CDEDLO CCCN[NH+]=Cc1c(Cl)nc(N)nc1N1CCCC1 ZINC000915964747 631880200 /nfs/dbraw/zinc/88/02/00/631880200.db2.gz LVNHXNMMFOSLIW-UHFFFAOYSA-N 1 2 282.779 1.646 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)N[C@@H](CC(C)C)C1=O)C(C)C ZINC000917481513 632220754 /nfs/dbraw/zinc/22/07/54/632220754.db2.gz MMGXDVVMNBIXAH-LBPRGKRZSA-N 1 2 267.373 1.807 20 30 CDEDLO C=CC[N@H+](CN1C(=O)N[C@@H](CC(C)C)C1=O)C(C)C ZINC000917481513 632220758 /nfs/dbraw/zinc/22/07/58/632220758.db2.gz MMGXDVVMNBIXAH-LBPRGKRZSA-N 1 2 267.373 1.807 20 30 CDEDLO Cn1c[nH+]cc1CCOC(=O)c1cccc(CC#N)c1 ZINC000793258757 1162406413 /nfs/dbraw/zinc/40/64/13/1162406413.db2.gz OXWSXNZMMOKYNL-UHFFFAOYSA-N 1 2 269.304 1.886 20 30 CDEDLO CC(C)(C)C#CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21 ZINC001114260148 1162462819 /nfs/dbraw/zinc/46/28/19/1162462819.db2.gz HYDHVLOTDFSPMQ-VIKVFOODSA-N 1 2 298.390 1.073 20 30 CDEDLO CC(C)(C)C#CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21 ZINC001114260148 1162462821 /nfs/dbraw/zinc/46/28/21/1162462821.db2.gz HYDHVLOTDFSPMQ-VIKVFOODSA-N 1 2 298.390 1.073 20 30 CDEDLO CC[NH+](CC)c1ccc(C)c(N[C@H](C#N)C(N)=O)c1 ZINC001170542498 1162802579 /nfs/dbraw/zinc/80/25/79/1162802579.db2.gz MHTAHJYLBIQMPZ-CYBMUJFWSA-N 1 2 260.341 1.631 20 30 CDEDLO N#CCc1cc[nH+]c(N2CC[C@H](Oc3cnccn3)C2)c1 ZINC001158366163 1162917228 /nfs/dbraw/zinc/91/72/28/1162917228.db2.gz AKWZBJNQNMUKAK-ZDUSSCGKSA-N 1 2 281.319 1.595 20 30 CDEDLO COC(=O)[C@H](CS)Nc1c[nH+]c(N(C)C)cc1C ZINC001167621233 1159164169 /nfs/dbraw/zinc/16/41/69/1159164169.db2.gz MCCOBOPOGWXJGB-JTQLQIEISA-N 1 2 269.370 1.339 20 30 CDEDLO CC(C)CN(C(=O)CO[NH+]=C(N)c1ccccc1)C1CC1 ZINC000177459907 1159423772 /nfs/dbraw/zinc/42/37/72/1159423772.db2.gz VICGTRMTWVSLBC-UHFFFAOYSA-N 1 2 289.379 1.971 20 30 CDEDLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)Nc1ccc(C#N)cn1 ZINC001113314836 1162152815 /nfs/dbraw/zinc/15/28/15/1162152815.db2.gz WINZPSVEZIYBNG-WDEREUQCSA-N 1 2 298.350 1.224 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CC(F)(F)C(F)(F)F)CC1 ZINC001113738821 1162269778 /nfs/dbraw/zinc/26/97/78/1162269778.db2.gz GXMVZSKJMVGELA-UHFFFAOYSA-N 1 2 298.255 1.742 20 30 CDEDLO N#CCOc1ccc(C[NH+]2CC3(C2)CS(=O)C3)cc1 ZINC001137115204 1165967673 /nfs/dbraw/zinc/96/76/73/1165967673.db2.gz BYVFTVLUAVXDDX-UHFFFAOYSA-N 1 2 276.361 1.153 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCCC)[C@H](O)C1 ZINC001099676300 1166998414 /nfs/dbraw/zinc/99/84/14/1166998414.db2.gz YCRZYTFIUBVNKZ-QWHCGFSZSA-N 1 2 288.819 1.871 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCCC)[C@H](O)C1 ZINC001099676300 1166998417 /nfs/dbraw/zinc/99/84/17/1166998417.db2.gz YCRZYTFIUBVNKZ-QWHCGFSZSA-N 1 2 288.819 1.871 20 30 CDEDLO Cc1cc(-c2noc([C@@H]([NH3+])Cn3cccn3)n2)ccc1C#N ZINC001247232004 1167412380 /nfs/dbraw/zinc/41/23/80/1167412380.db2.gz ZAQLSCIJOVZTHM-ZDUSSCGKSA-N 1 2 294.318 1.813 20 30 CDEDLO Cc1cc(C)c(C#N)c(N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)n1 ZINC001646639374 1168009830 /nfs/dbraw/zinc/00/98/30/1168009830.db2.gz YRSGUIJPEDTRPF-DZGCQCFKSA-N 1 2 287.411 1.616 20 30 CDEDLO CC[C@@](C)([NH2+]C[C@@H](O)CC1(C#N)CC1)c1c[nH]nn1 ZINC001576189677 1171355368 /nfs/dbraw/zinc/35/53/68/1171355368.db2.gz DYVXQHUNMVIOOC-CMPLNLGQSA-N 1 2 263.345 1.074 20 30 CDEDLO CC[C@@H]([NH2+]CC1(C#N)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001604052991 1175734205 /nfs/dbraw/zinc/73/42/05/1175734205.db2.gz AJTYCBNWVYEBDQ-GFCCVEGCSA-N 1 2 298.350 1.917 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2cccc(F)c2C#N)C1 ZINC000155621338 1178163820 /nfs/dbraw/zinc/16/38/20/1178163820.db2.gz DSYYSNIVUFRYJM-SNVBAGLBSA-N 1 2 250.273 1.407 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2cccc(F)c2C#N)C1 ZINC000155621338 1178163825 /nfs/dbraw/zinc/16/38/25/1178163825.db2.gz DSYYSNIVUFRYJM-SNVBAGLBSA-N 1 2 250.273 1.407 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC001732091903 1182761780 /nfs/dbraw/zinc/76/17/80/1182761780.db2.gz MGDGDFPKXVCPKP-ZDUSSCGKSA-N 1 2 293.411 1.058 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001732091903 1182761782 /nfs/dbraw/zinc/76/17/82/1182761782.db2.gz MGDGDFPKXVCPKP-ZDUSSCGKSA-N 1 2 293.411 1.058 20 30 CDEDLO CCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001733200986 1183328325 /nfs/dbraw/zinc/32/83/25/1183328325.db2.gz RWGXQGXTACFQLQ-JTQLQIEISA-N 1 2 263.366 1.720 20 30 CDEDLO CCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001733200986 1183328330 /nfs/dbraw/zinc/32/83/30/1183328330.db2.gz RWGXQGXTACFQLQ-JTQLQIEISA-N 1 2 263.366 1.720 20 30 CDEDLO C[N@H+](CCCNC(=O)C#CC1CC1)Cc1ccon1 ZINC001751972369 1184800830 /nfs/dbraw/zinc/80/08/30/1184800830.db2.gz HENIPAZUUWFHAX-UHFFFAOYSA-N 1 2 261.325 1.026 20 30 CDEDLO C[N@@H+](CCCNC(=O)C#CC1CC1)Cc1ccon1 ZINC001751972369 1184800836 /nfs/dbraw/zinc/80/08/36/1184800836.db2.gz HENIPAZUUWFHAX-UHFFFAOYSA-N 1 2 261.325 1.026 20 30 CDEDLO C[C@@H](C#N)C(=O)NCCC[N@H+](C)Cc1coc(C2CC2)n1 ZINC001751952883 1184797358 /nfs/dbraw/zinc/79/73/58/1184797358.db2.gz OAIHKMPOAFIUTA-NSHDSACASA-N 1 2 290.367 1.650 20 30 CDEDLO C[C@@H](C#N)C(=O)NCCC[N@@H+](C)Cc1coc(C2CC2)n1 ZINC001751952883 1184797366 /nfs/dbraw/zinc/79/73/66/1184797366.db2.gz OAIHKMPOAFIUTA-NSHDSACASA-N 1 2 290.367 1.650 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OCC)C(C)C ZINC001752535097 1184876257 /nfs/dbraw/zinc/87/62/57/1184876257.db2.gz YLJLRIXDTPAGCA-XHSDSOJGSA-N 1 2 292.423 1.746 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OCC)C(C)C ZINC001752535097 1184876261 /nfs/dbraw/zinc/87/62/61/1184876261.db2.gz YLJLRIXDTPAGCA-XHSDSOJGSA-N 1 2 292.423 1.746 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2nc(C)no2)C1 ZINC001752777596 1184909894 /nfs/dbraw/zinc/90/98/94/1184909894.db2.gz AKYBHYQFXANWQM-ZDUSSCGKSA-N 1 2 292.383 1.672 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2nc(C)no2)C1 ZINC001752777596 1184909897 /nfs/dbraw/zinc/90/98/97/1184909897.db2.gz AKYBHYQFXANWQM-ZDUSSCGKSA-N 1 2 292.383 1.672 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cnns1 ZINC001753096816 1185057562 /nfs/dbraw/zinc/05/75/62/1185057562.db2.gz HNQFGCAVHNCJIW-NSHDSACASA-N 1 2 280.397 1.585 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1cnns1 ZINC001753096816 1185057564 /nfs/dbraw/zinc/05/75/64/1185057564.db2.gz HNQFGCAVHNCJIW-NSHDSACASA-N 1 2 280.397 1.585 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H](C)[C@H]2CCCO2)C1 ZINC001754585861 1185674919 /nfs/dbraw/zinc/67/49/19/1185674919.db2.gz FTDPOWYFNJXPBA-UKRRQHHQSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CCCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2nonc2C)C1 ZINC001754677821 1185702530 /nfs/dbraw/zinc/70/25/30/1185702530.db2.gz AQDUWGFWSUQUCA-HNNXBMFYSA-N 1 2 292.383 1.815 20 30 CDEDLO C=CCCCC(=O)N[C@@]1(C)CC[N@H+](Cc2nonc2C)C1 ZINC001754677821 1185702534 /nfs/dbraw/zinc/70/25/34/1185702534.db2.gz AQDUWGFWSUQUCA-HNNXBMFYSA-N 1 2 292.383 1.815 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](CNCC#N)CC1 ZINC001754957714 1185769761 /nfs/dbraw/zinc/76/97/61/1185769761.db2.gz LQWQORYULJAHAD-JOCQHMNTSA-N 1 2 289.383 1.049 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H](C)OCC)cc2C1 ZINC001755101161 1185814107 /nfs/dbraw/zinc/81/41/07/1185814107.db2.gz UEXDAMHNCHMOEU-CYBMUJFWSA-N 1 2 286.375 1.677 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](C)OCC)cc2C1 ZINC001755101161 1185814116 /nfs/dbraw/zinc/81/41/16/1185814116.db2.gz UEXDAMHNCHMOEU-CYBMUJFWSA-N 1 2 286.375 1.677 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NC1(CCO)C[NH+](CC(=C)C)C1 ZINC001755334679 1185921939 /nfs/dbraw/zinc/92/19/39/1185921939.db2.gz HCRALQWAGUJUKL-AWEZNQCLSA-N 1 2 280.412 1.718 20 30 CDEDLO C#C[C@H]([NH2+]Cc1ccoc1C(=O)OC)[C@H]1CCCO1 ZINC000775798185 790262009 /nfs/dbraw/zinc/26/20/09/790262009.db2.gz IRJMFXZHXZRIRO-NWDGAFQWSA-N 1 2 263.293 1.337 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc2ccncc21 ZINC001038563005 790270957 /nfs/dbraw/zinc/27/09/57/790270957.db2.gz NCMPQIXLEYUOPN-LBPRGKRZSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc2ccncc21 ZINC001038563005 790270969 /nfs/dbraw/zinc/27/09/69/790270969.db2.gz NCMPQIXLEYUOPN-LBPRGKRZSA-N 1 2 280.331 1.067 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C#Cc1cccs1 ZINC000831364699 790280519 /nfs/dbraw/zinc/28/05/19/790280519.db2.gz RTNNTIAZDUFKPH-CYBMUJFWSA-N 1 2 292.404 1.279 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCc2ccc(C#N)cc21 ZINC001610938165 1165476735 /nfs/dbraw/zinc/47/67/35/1165476735.db2.gz LVTNGHWBCJEUIT-UHFFFAOYSA-N 1 2 266.304 1.722 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CCNc1nc(C)ccc1C#N ZINC000872772300 1165477677 /nfs/dbraw/zinc/47/76/77/1165477677.db2.gz TWLNXOBEVPRITF-CQSZACIVSA-N 1 2 274.368 1.784 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CCNc1nc(C)ccc1C#N ZINC000872772300 1165477679 /nfs/dbraw/zinc/47/76/79/1165477679.db2.gz TWLNXOBEVPRITF-CQSZACIVSA-N 1 2 274.368 1.784 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C#N)cc1 ZINC000874698399 1165655145 /nfs/dbraw/zinc/65/51/45/1165655145.db2.gz COWXASURXCFGRD-HNNXBMFYSA-N 1 2 287.363 1.399 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(C#N)cc1 ZINC000874698399 1165655149 /nfs/dbraw/zinc/65/51/49/1165655149.db2.gz COWXASURXCFGRD-HNNXBMFYSA-N 1 2 287.363 1.399 20 30 CDEDLO C#C[C@@H](CC)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000821567536 790539560 /nfs/dbraw/zinc/53/95/60/790539560.db2.gz PLURNSJLGXVXAR-LBPRGKRZSA-N 1 2 260.341 1.641 20 30 CDEDLO N#CCOc1ccc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)cc1 ZINC001137120333 1166043940 /nfs/dbraw/zinc/04/39/40/1166043940.db2.gz FHDBLAXPLWCAPD-AWEZNQCLSA-N 1 2 289.354 1.817 20 30 CDEDLO N#CCOc1ccc(CN2CC([N@H+]3CC[C@H](F)C3)C2)cc1 ZINC001137120333 1166043946 /nfs/dbraw/zinc/04/39/46/1166043946.db2.gz FHDBLAXPLWCAPD-AWEZNQCLSA-N 1 2 289.354 1.817 20 30 CDEDLO N#CCOc1ccc(C[NH+]2CC(N3CC[C@H](F)C3)C2)cc1 ZINC001137120333 1166043955 /nfs/dbraw/zinc/04/39/55/1166043955.db2.gz FHDBLAXPLWCAPD-AWEZNQCLSA-N 1 2 289.354 1.817 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2ccc(OC)cc21 ZINC001038352705 790608306 /nfs/dbraw/zinc/60/83/06/790608306.db2.gz OPWWFGMNRLFBIP-HOCLYGCPSA-N 1 2 298.386 1.549 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2ccc(OC)cc21 ZINC001038352705 790608312 /nfs/dbraw/zinc/60/83/12/790608312.db2.gz OPWWFGMNRLFBIP-HOCLYGCPSA-N 1 2 298.386 1.549 20 30 CDEDLO C=C1C[NH+](C[C@@H](O)COc2ccc(C(=O)OC)cc2)C1 ZINC000899899911 790613726 /nfs/dbraw/zinc/61/37/26/790613726.db2.gz DMRNJENGIOLYGJ-CYBMUJFWSA-N 1 2 277.320 1.085 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(F)CCCC1 ZINC001017690605 790702870 /nfs/dbraw/zinc/70/28/70/790702870.db2.gz IZFMZTGWOLXBLQ-OKILXGFUSA-N 1 2 278.371 1.967 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(F)CCCC1 ZINC001017690605 790702896 /nfs/dbraw/zinc/70/28/96/790702896.db2.gz IZFMZTGWOLXBLQ-OKILXGFUSA-N 1 2 278.371 1.967 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2n1CCCC2 ZINC001032585802 790804646 /nfs/dbraw/zinc/80/46/46/790804646.db2.gz UYEJNISTUXBIJT-KBPBESRZSA-N 1 2 298.390 1.141 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2n1CCCC2 ZINC001032585802 790804647 /nfs/dbraw/zinc/80/46/47/790804647.db2.gz UYEJNISTUXBIJT-KBPBESRZSA-N 1 2 298.390 1.141 20 30 CDEDLO C#CCCN(CCOC)C(=O)NCCCCn1cc[nH+]c1 ZINC000853467523 790838127 /nfs/dbraw/zinc/83/81/27/790838127.db2.gz DTUFRYFBGFYCHX-UHFFFAOYSA-N 1 2 292.383 1.345 20 30 CDEDLO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)O[NH+]=C(N)CCO ZINC000121408549 790908535 /nfs/dbraw/zinc/90/85/35/790908535.db2.gz HVOAOTFTQICSEK-VXGBXAGGSA-N 1 2 293.367 1.232 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cn[nH]n3)C[C@H]21 ZINC001042126864 790998441 /nfs/dbraw/zinc/99/84/41/790998441.db2.gz HUDSAPAFXCHMDG-CMPLNLGQSA-N 1 2 295.774 1.094 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3cn[nH]n3)C[C@H]21 ZINC001042126864 790998455 /nfs/dbraw/zinc/99/84/55/790998455.db2.gz HUDSAPAFXCHMDG-CMPLNLGQSA-N 1 2 295.774 1.094 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2cccnn2)CC1 ZINC001003830776 791003369 /nfs/dbraw/zinc/00/33/69/791003369.db2.gz DSHKFDPVXFMWHB-UHFFFAOYSA-N 1 2 280.759 1.423 20 30 CDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ncc[nH]2)CC1 ZINC001004437128 791149276 /nfs/dbraw/zinc/14/92/76/791149276.db2.gz RWOWZRCVQRUELG-ZDUSSCGKSA-N 1 2 287.367 1.250 20 30 CDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ncc[nH]2)CC1 ZINC001004437128 791149299 /nfs/dbraw/zinc/14/92/99/791149299.db2.gz RWOWZRCVQRUELG-ZDUSSCGKSA-N 1 2 287.367 1.250 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnc(F)c1 ZINC001050847787 789885218 /nfs/dbraw/zinc/88/52/18/789885218.db2.gz UFTNEWYIVRHJTE-ZDUSSCGKSA-N 1 2 293.342 1.227 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnc(F)c1 ZINC001050847787 789885219 /nfs/dbraw/zinc/88/52/19/789885219.db2.gz UFTNEWYIVRHJTE-ZDUSSCGKSA-N 1 2 293.342 1.227 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cc(F)c1 ZINC001032642879 789887887 /nfs/dbraw/zinc/88/78/87/789887887.db2.gz HQWHTCQSCVIPNK-GJZGRUSLSA-N 1 2 272.323 1.666 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cc(F)c1 ZINC001032642879 789887893 /nfs/dbraw/zinc/88/78/93/789887893.db2.gz HQWHTCQSCVIPNK-GJZGRUSLSA-N 1 2 272.323 1.666 20 30 CDEDLO C#CCO[C@H](C)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000826586261 789894828 /nfs/dbraw/zinc/89/48/28/789894828.db2.gz UWYOSIPTQWKAAX-CYBMUJFWSA-N 1 2 285.347 1.340 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000884126351 789997514 /nfs/dbraw/zinc/99/75/14/789997514.db2.gz WXWJHIVURNTVPX-MELADBBJSA-N 1 2 296.411 1.764 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3nccnc32)C1 ZINC001031141670 789998102 /nfs/dbraw/zinc/99/81/02/789998102.db2.gz SYQHYRNBJASOSA-UHFFFAOYSA-N 1 2 280.331 1.067 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@H](Cn1cc[nH+]c1)C(=O)OC ZINC000788605051 790004786 /nfs/dbraw/zinc/00/47/86/790004786.db2.gz PEFXXOJQFXPJLO-CYBMUJFWSA-N 1 2 291.351 1.309 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cccnc2C)C1 ZINC001015698907 790018139 /nfs/dbraw/zinc/01/81/39/790018139.db2.gz QZKAROMGHGULQK-CQSZACIVSA-N 1 2 293.798 1.876 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cccnc2C)C1 ZINC001015698907 790018148 /nfs/dbraw/zinc/01/81/48/790018148.db2.gz QZKAROMGHGULQK-CQSZACIVSA-N 1 2 293.798 1.876 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]nc1-c1ccoc1 ZINC001032538058 790038687 /nfs/dbraw/zinc/03/86/87/790038687.db2.gz JHPHYASMUZENIB-STQMWFEESA-N 1 2 296.330 1.202 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]nc1-c1ccoc1 ZINC001032538058 790038691 /nfs/dbraw/zinc/03/86/91/790038691.db2.gz JHPHYASMUZENIB-STQMWFEESA-N 1 2 296.330 1.202 20 30 CDEDLO COC[C@H](C#N)OC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848783061 790038904 /nfs/dbraw/zinc/03/89/04/790038904.db2.gz QQHQDHNEBTYHOH-NSHDSACASA-N 1 2 259.265 1.338 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H]2COC3(C[NH+](CC)C3)C2)cc1 ZINC001053888760 790053844 /nfs/dbraw/zinc/05/38/44/790053844.db2.gz REVVPOHCQBPGJI-HNNXBMFYSA-N 1 2 284.359 1.261 20 30 CDEDLO C#CCC1(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CCCCC1 ZINC000788192078 790054808 /nfs/dbraw/zinc/05/48/08/790054808.db2.gz GNBFWLPXFVABJM-HNNXBMFYSA-N 1 2 292.423 1.797 20 30 CDEDLO C#CCC1(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CCCCC1 ZINC000788192078 790054813 /nfs/dbraw/zinc/05/48/13/790054813.db2.gz GNBFWLPXFVABJM-HNNXBMFYSA-N 1 2 292.423 1.797 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](Nc2cn[nH]c(=O)c2Cl)C1 ZINC000884613175 790082235 /nfs/dbraw/zinc/08/22/35/790082235.db2.gz FUTYXNSRLTWFPU-SECBINFHSA-N 1 2 266.732 1.345 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](Nc2cn[nH]c(=O)c2Cl)C1 ZINC000884613175 790082245 /nfs/dbraw/zinc/08/22/45/790082245.db2.gz FUTYXNSRLTWFPU-SECBINFHSA-N 1 2 266.732 1.345 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2occc2Cl)C1 ZINC001030906720 790090584 /nfs/dbraw/zinc/09/05/84/790090584.db2.gz CJZMZKBJVKABTB-UHFFFAOYSA-N 1 2 254.717 1.923 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc[nH]c1)O2 ZINC001053600314 790091238 /nfs/dbraw/zinc/09/12/38/790091238.db2.gz FSUKGCSHCTXNKT-CQSZACIVSA-N 1 2 289.379 1.554 20 30 CDEDLO C=C[C@H](C)ONC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000845623409 790094046 /nfs/dbraw/zinc/09/40/46/790094046.db2.gz QSJWUMVEXYLQSV-RYUDHWBXSA-N 1 2 278.356 1.815 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC(C)C2)C1 ZINC001010503063 790107081 /nfs/dbraw/zinc/10/70/81/790107081.db2.gz NCKLCIWSXLVUCA-NHNAUAITSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC(C)C2)C1 ZINC001010503063 790107095 /nfs/dbraw/zinc/10/70/95/790107095.db2.gz NCKLCIWSXLVUCA-NHNAUAITSA-N 1 2 256.777 1.976 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000884048446 790136273 /nfs/dbraw/zinc/13/62/73/790136273.db2.gz LMKXXBFBUMEJOO-FVCCEPFGSA-N 1 2 282.384 1.374 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cn2ncc3cc(C)cnc32)C1 ZINC001043366178 790170054 /nfs/dbraw/zinc/17/00/54/790170054.db2.gz LQUYUJPMJHKLOK-UHFFFAOYSA-N 1 2 299.378 1.068 20 30 CDEDLO N#CC1CC[NH+](CN2C(=O)[C@@H](C3CC3)[C@H]2C2CC2)CC1 ZINC000839979411 790195034 /nfs/dbraw/zinc/19/50/34/790195034.db2.gz KUTIXQBNCXMZMN-LSDHHAIUSA-N 1 2 273.380 1.826 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2conc2C2CC2)C1 ZINC000923562420 790257952 /nfs/dbraw/zinc/25/79/52/790257952.db2.gz WMXLIFOCBUKRSQ-GFCCVEGCSA-N 1 2 273.336 1.379 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2conc2C2CC2)C1 ZINC000923562420 790257957 /nfs/dbraw/zinc/25/79/57/790257957.db2.gz WMXLIFOCBUKRSQ-GFCCVEGCSA-N 1 2 273.336 1.379 20 30 CDEDLO CCCON=C(N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181841747 791233150 /nfs/dbraw/zinc/23/31/50/791233150.db2.gz ROSHUDAVMWTJRS-CQSZACIVSA-N 1 2 277.368 1.586 20 30 CDEDLO CCCON=C(N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181841747 791233153 /nfs/dbraw/zinc/23/31/53/791233153.db2.gz ROSHUDAVMWTJRS-CQSZACIVSA-N 1 2 277.368 1.586 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001031448293 791247096 /nfs/dbraw/zinc/24/70/96/791247096.db2.gz AHZJWKNUYUQPNL-UHFFFAOYSA-N 1 2 281.359 1.914 20 30 CDEDLO CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CCN(CC#N)CC1 ZINC001006292506 791249723 /nfs/dbraw/zinc/24/97/23/791249723.db2.gz QZUAIPXCAMKJGI-UHFFFAOYSA-N 1 2 289.383 1.134 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ncccc2O)[C@@H]1C ZINC000993250985 791347458 /nfs/dbraw/zinc/34/74/58/791347458.db2.gz QZYFPMKUGTYYDT-RYUDHWBXSA-N 1 2 273.336 1.003 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ncccc2O)[C@@H]1C ZINC000993250985 791347462 /nfs/dbraw/zinc/34/74/62/791347462.db2.gz QZYFPMKUGTYYDT-RYUDHWBXSA-N 1 2 273.336 1.003 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001044357651 791554721 /nfs/dbraw/zinc/55/47/21/791554721.db2.gz XNRGZECCJGMAFJ-XLHUXQDVSA-N 1 2 274.408 1.997 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cn(CCC)nn2)C1 ZINC001044105988 791614546 /nfs/dbraw/zinc/61/45/46/791614546.db2.gz XMTMLTIJWSKOEL-UHFFFAOYSA-N 1 2 277.372 1.020 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)n2c(C)ccc2C)C1 ZINC001031436912 791638221 /nfs/dbraw/zinc/63/82/21/791638221.db2.gz RBLNUDVAVYAZDY-AWEZNQCLSA-N 1 2 273.380 1.490 20 30 CDEDLO C#CC[N@H+]1CCCC[C@@H](NC(=O)c2ccns2)C1 ZINC001034231577 791696892 /nfs/dbraw/zinc/69/68/92/791696892.db2.gz QDEUSKSMFGJGSM-LLVKDONJSA-N 1 2 263.366 1.361 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccns2)C1 ZINC001034231577 791696907 /nfs/dbraw/zinc/69/69/07/791696907.db2.gz QDEUSKSMFGJGSM-LLVKDONJSA-N 1 2 263.366 1.361 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2ccon2)CC[C@H]1C ZINC001071381145 791716571 /nfs/dbraw/zinc/71/65/71/791716571.db2.gz JRCHIPUMTUAOPY-YPMHNXCESA-N 1 2 297.786 1.939 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2ccon2)CC[C@H]1C ZINC001071381145 791716589 /nfs/dbraw/zinc/71/65/89/791716589.db2.gz JRCHIPUMTUAOPY-YPMHNXCESA-N 1 2 297.786 1.939 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc(COC)s2)C1 ZINC000923559235 791741262 /nfs/dbraw/zinc/74/12/62/791741262.db2.gz AFTHJQHVYXWLGJ-NSHDSACASA-N 1 2 293.392 1.117 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc(COC)s2)C1 ZINC000923559235 791741267 /nfs/dbraw/zinc/74/12/67/791741267.db2.gz AFTHJQHVYXWLGJ-NSHDSACASA-N 1 2 293.392 1.117 20 30 CDEDLO C#C[C@](C)(CC)NC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000854703654 791757030 /nfs/dbraw/zinc/75/70/30/791757030.db2.gz BAUVYPLYSAJRJH-SQWLQELKSA-N 1 2 280.412 1.794 20 30 CDEDLO C#C[C@](C)(CC)NC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000854703654 791757039 /nfs/dbraw/zinc/75/70/39/791757039.db2.gz BAUVYPLYSAJRJH-SQWLQELKSA-N 1 2 280.412 1.794 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](C)C(C)(C)C1 ZINC000884332178 791808186 /nfs/dbraw/zinc/80/81/86/791808186.db2.gz HATGWZPONAHEOQ-NEPJUHHUSA-N 1 2 282.384 1.328 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC001042766370 791818307 /nfs/dbraw/zinc/81/83/07/791818307.db2.gz WKUOBEPFWJRKGX-UHFFFAOYSA-N 1 2 299.374 1.514 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1ccoc1C(=O)OC)[C@H]1CCCO1 ZINC000775798189 791851736 /nfs/dbraw/zinc/85/17/36/791851736.db2.gz IRJMFXZHXZRIRO-VXGBXAGGSA-N 1 2 263.293 1.337 20 30 CDEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2scnc2CC)C1 ZINC001007467340 791878312 /nfs/dbraw/zinc/87/83/12/791878312.db2.gz VWRDZMHADRERRC-LBPRGKRZSA-N 1 2 291.420 1.923 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2scnc2CC)C1 ZINC001007467340 791878316 /nfs/dbraw/zinc/87/83/16/791878316.db2.gz VWRDZMHADRERRC-LBPRGKRZSA-N 1 2 291.420 1.923 20 30 CDEDLO Cc1nc(C#N)cc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000882087343 791888988 /nfs/dbraw/zinc/88/89/88/791888988.db2.gz LTNXPOKGEUBNAI-BXUZGUMPSA-N 1 2 282.351 1.941 20 30 CDEDLO C#Cc1ccccc1CC(=O)OCCn1cc[nH+]c1 ZINC000810719556 791898865 /nfs/dbraw/zinc/89/88/65/791898865.db2.gz ODZDWVSLGTYHPU-UHFFFAOYSA-N 1 2 254.289 1.650 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2C=CC=CC=C2)C1 ZINC001035383136 791902076 /nfs/dbraw/zinc/90/20/76/791902076.db2.gz GRSAOWVCQJNEBB-HNNXBMFYSA-N 1 2 274.364 1.288 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C2C=CC=CC=C2)C1 ZINC001035383136 791902086 /nfs/dbraw/zinc/90/20/86/791902086.db2.gz GRSAOWVCQJNEBB-HNNXBMFYSA-N 1 2 274.364 1.288 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001035510028 791914727 /nfs/dbraw/zinc/91/47/27/791914727.db2.gz GZHWYZUEANCHKC-MGPQQGTHSA-N 1 2 266.385 1.426 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001035510028 791914730 /nfs/dbraw/zinc/91/47/30/791914730.db2.gz GZHWYZUEANCHKC-MGPQQGTHSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(C)C)on1 ZINC001032544904 792006056 /nfs/dbraw/zinc/00/60/56/792006056.db2.gz OXXQHOFLRLWMRA-RYUDHWBXSA-N 1 2 275.352 1.883 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(C)C)on1 ZINC001032544904 792006068 /nfs/dbraw/zinc/00/60/68/792006068.db2.gz OXXQHOFLRLWMRA-RYUDHWBXSA-N 1 2 275.352 1.883 20 30 CDEDLO CCOC(=O)/C=C\C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000931546290 792146084 /nfs/dbraw/zinc/14/60/84/792146084.db2.gz KPIVYSWEGZVHFX-ARJAWSKDSA-N 1 2 299.374 1.800 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccsc1 ZINC001032318290 792264816 /nfs/dbraw/zinc/26/48/16/792264816.db2.gz LQENEAIKMHKRQN-WXHSDQCUSA-N 1 2 275.377 1.693 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccsc1 ZINC001032318290 792264855 /nfs/dbraw/zinc/26/48/55/792264855.db2.gz LQENEAIKMHKRQN-WXHSDQCUSA-N 1 2 275.377 1.693 20 30 CDEDLO C[C@H](C#N)OCC[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000801926028 792315726 /nfs/dbraw/zinc/31/57/26/792315726.db2.gz UJXJSHXCHNPCNP-HIFRSBDPSA-N 1 2 260.337 1.989 20 30 CDEDLO C[C@H](C#N)OCC[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000801926028 792315739 /nfs/dbraw/zinc/31/57/39/792315739.db2.gz UJXJSHXCHNPCNP-HIFRSBDPSA-N 1 2 260.337 1.989 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc[nH]c2CC)C1 ZINC001035356068 792353349 /nfs/dbraw/zinc/35/33/49/792353349.db2.gz LMTDFTKCBOKJOF-CYBMUJFWSA-N 1 2 291.395 1.584 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc[nH]c2CC)C1 ZINC001035356068 792353358 /nfs/dbraw/zinc/35/33/58/792353358.db2.gz LMTDFTKCBOKJOF-CYBMUJFWSA-N 1 2 291.395 1.584 20 30 CDEDLO COc1cc(C#N)ccc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000935485669 792361834 /nfs/dbraw/zinc/36/18/34/792361834.db2.gz CCYHYHVMAITONL-GFCCVEGCSA-N 1 2 296.330 1.508 20 30 CDEDLO N#Cc1ccc(C(=O)OCc2cc[nH+]c(N)c2)s1 ZINC000791992380 792377421 /nfs/dbraw/zinc/37/74/21/792377421.db2.gz UBAGPZDUPZJHDM-UHFFFAOYSA-N 1 2 259.290 1.954 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1cc(C#N)[nH]c1C ZINC000928646743 792383418 /nfs/dbraw/zinc/38/34/18/792383418.db2.gz LULUIPUFQZAQGX-GFCCVEGCSA-N 1 2 290.367 1.035 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1C/C=C/Cl ZINC001038715980 792391573 /nfs/dbraw/zinc/39/15/73/792391573.db2.gz DBRSEEQOYPNHBQ-SABXLNKYSA-N 1 2 284.787 1.521 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1C/C=C/Cl ZINC001038715980 792391581 /nfs/dbraw/zinc/39/15/81/792391581.db2.gz DBRSEEQOYPNHBQ-SABXLNKYSA-N 1 2 284.787 1.521 20 30 CDEDLO C#Cc1cccc(NC(=O)CN(C)C(=O)Cc2[nH]cc[nH+]2)c1 ZINC000816891522 792397235 /nfs/dbraw/zinc/39/72/35/792397235.db2.gz VHSDJHMDUDOISU-UHFFFAOYSA-N 1 2 296.330 1.031 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccsc1C ZINC001032395514 792443728 /nfs/dbraw/zinc/44/37/28/792443728.db2.gz HUEKVBHMMFKPNI-STQMWFEESA-N 1 2 274.389 1.979 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccsc1C ZINC001032395514 792443736 /nfs/dbraw/zinc/44/37/36/792443736.db2.gz HUEKVBHMMFKPNI-STQMWFEESA-N 1 2 274.389 1.979 20 30 CDEDLO C=CCN1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001015626307 792553544 /nfs/dbraw/zinc/55/35/44/792553544.db2.gz UPNNRWAFJDBXMP-ZDUSSCGKSA-N 1 2 277.368 1.331 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3nccnc3c2)C1 ZINC001031362503 792568285 /nfs/dbraw/zinc/56/82/85/792568285.db2.gz IKYXQMKQVNBZTC-UHFFFAOYSA-N 1 2 282.347 1.620 20 30 CDEDLO C#CCCCCCC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000790131157 792704735 /nfs/dbraw/zinc/70/47/35/792704735.db2.gz FEQQVEQGKPCHCY-HNNXBMFYSA-N 1 2 280.412 1.749 20 30 CDEDLO N#Cc1csc(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)n1 ZINC000887979241 792756323 /nfs/dbraw/zinc/75/63/23/792756323.db2.gz YYZNTUJWHFKZFY-SECBINFHSA-N 1 2 287.348 1.090 20 30 CDEDLO C=CCC[NH+]1CC(N(C)C(=O)c2ccns2)C1 ZINC001042825237 792801196 /nfs/dbraw/zinc/80/11/96/792801196.db2.gz JPOBHTAXCJRDBJ-UHFFFAOYSA-N 1 2 251.355 1.475 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccn(CC(C)C)n2)C1 ZINC001042815408 792821102 /nfs/dbraw/zinc/82/11/02/792821102.db2.gz JACRKLGRMLYDHH-UHFFFAOYSA-N 1 2 290.411 1.871 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccn(C)c2C)C1 ZINC001015663985 792827672 /nfs/dbraw/zinc/82/76/72/792827672.db2.gz RYLOLBGXWMLKIR-LBPRGKRZSA-N 1 2 281.787 1.890 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C)c2C)C1 ZINC001015663985 792827676 /nfs/dbraw/zinc/82/76/76/792827676.db2.gz RYLOLBGXWMLKIR-LBPRGKRZSA-N 1 2 281.787 1.890 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001046124641 792852216 /nfs/dbraw/zinc/85/22/16/792852216.db2.gz JMNIZCQCJDTUBT-CYBMUJFWSA-N 1 2 296.758 1.129 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001046124641 792852221 /nfs/dbraw/zinc/85/22/21/792852221.db2.gz JMNIZCQCJDTUBT-CYBMUJFWSA-N 1 2 296.758 1.129 20 30 CDEDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@H+](CCOCCC#N)C1 ZINC000879767346 792855094 /nfs/dbraw/zinc/85/50/94/792855094.db2.gz WVAJZAJMGDDUJV-NSHDSACASA-N 1 2 293.289 1.060 20 30 CDEDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@@H+](CCOCCC#N)C1 ZINC000879767346 792855095 /nfs/dbraw/zinc/85/50/95/792855095.db2.gz WVAJZAJMGDDUJV-NSHDSACASA-N 1 2 293.289 1.060 20 30 CDEDLO C=CCCCC(=O)N1CC[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001065711210 792878154 /nfs/dbraw/zinc/87/81/54/792878154.db2.gz JQJMGNXWQHCKSQ-OAHLLOKOSA-N 1 2 293.411 1.108 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc[nH]1)O2 ZINC001053573684 792884495 /nfs/dbraw/zinc/88/44/95/792884495.db2.gz JYVIICHLDDNGNE-ZDUSSCGKSA-N 1 2 289.379 1.554 20 30 CDEDLO CC1(C)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1NCC#N ZINC000995963066 792890694 /nfs/dbraw/zinc/89/06/94/792890694.db2.gz WPLZCGLCORLMSA-AWEZNQCLSA-N 1 2 297.362 1.527 20 30 CDEDLO C#CCNC(=O)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000057211673 793012910 /nfs/dbraw/zinc/01/29/10/793012910.db2.gz QDIADIYYOZCKFP-ZDUSSCGKSA-N 1 2 292.404 1.479 20 30 CDEDLO C#CCNC(=O)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000057211673 793012921 /nfs/dbraw/zinc/01/29/21/793012921.db2.gz QDIADIYYOZCKFP-ZDUSSCGKSA-N 1 2 292.404 1.479 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccncc1C ZINC001038230502 793039232 /nfs/dbraw/zinc/03/92/32/793039232.db2.gz BSAGKAKWUTVQGU-ZDUSSCGKSA-N 1 2 257.337 1.217 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccncc1C ZINC001038230502 793039245 /nfs/dbraw/zinc/03/92/45/793039245.db2.gz BSAGKAKWUTVQGU-ZDUSSCGKSA-N 1 2 257.337 1.217 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857999128 793069155 /nfs/dbraw/zinc/06/91/55/793069155.db2.gz PNWABRDSDMFOJC-CQSZACIVSA-N 1 2 261.325 1.476 20 30 CDEDLO CNC(NCc1cc(Cl)cc(Cl)c1O)=[NH+]C ZINC000849028158 793069997 /nfs/dbraw/zinc/06/99/97/793069997.db2.gz CTYOKBHBSRWSCN-UHFFFAOYSA-N 1 2 262.140 1.994 20 30 CDEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)C(=O)OC(C)(C)C)CC1 ZINC000844340502 793091845 /nfs/dbraw/zinc/09/18/45/793091845.db2.gz GHGOWCFTDYOVHG-LBPRGKRZSA-N 1 2 295.383 1.165 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001043316644 793220494 /nfs/dbraw/zinc/22/04/94/793220494.db2.gz BOOSYIZQZUMOIN-ZBFHGGJFSA-N 1 2 278.396 1.664 20 30 CDEDLO C#CCOc1ccc(C(=O)NC2C[NH+](CC)C2)cc1 ZINC001031067120 793284060 /nfs/dbraw/zinc/28/40/60/793284060.db2.gz SJIUPEINJGUCOB-UHFFFAOYSA-N 1 2 258.321 1.133 20 30 CDEDLO C[C@H](CO)N[NH+]=Cc1cc(F)c(N(C)C)cc1F ZINC000863099674 793336356 /nfs/dbraw/zinc/33/63/56/793336356.db2.gz JZYDPIPFZPLARK-MRVPVSSYSA-N 1 2 257.284 1.335 20 30 CDEDLO CO[C@]1(C(F)(F)F)CCC[N@H+](CC(=O)NCCC#N)C1 ZINC000781983983 793348564 /nfs/dbraw/zinc/34/85/64/793348564.db2.gz INCXHUCHWHXUKT-LLVKDONJSA-N 1 2 293.289 1.060 20 30 CDEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](CC(=O)NCCC#N)C1 ZINC000781983983 793348576 /nfs/dbraw/zinc/34/85/76/793348576.db2.gz INCXHUCHWHXUKT-LLVKDONJSA-N 1 2 293.289 1.060 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc4[nH]cnc43)[C@@H]2C1 ZINC001076387620 793364093 /nfs/dbraw/zinc/36/40/93/793364093.db2.gz QFYXOCVBCJZWST-SWLSCSKDSA-N 1 2 294.358 1.342 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4[nH]cnc43)[C@@H]2C1 ZINC001076387620 793364103 /nfs/dbraw/zinc/36/41/03/793364103.db2.gz QFYXOCVBCJZWST-SWLSCSKDSA-N 1 2 294.358 1.342 20 30 CDEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](CCCC#N)CCO1 ZINC000158888847 793381273 /nfs/dbraw/zinc/38/12/73/793381273.db2.gz YXIMGXJSIGFLFX-OLZOCXBDSA-N 1 2 297.399 1.904 20 30 CDEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](CCCC#N)CCO1 ZINC000158888847 793381282 /nfs/dbraw/zinc/38/12/82/793381282.db2.gz YXIMGXJSIGFLFX-OLZOCXBDSA-N 1 2 297.399 1.904 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CCC(C)(C)CO2)C1 ZINC001030695764 793411487 /nfs/dbraw/zinc/41/14/87/793411487.db2.gz FKUCDQALKPFYIZ-AWEZNQCLSA-N 1 2 278.396 1.405 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@@H]3C)cc2C1 ZINC001054253655 793507355 /nfs/dbraw/zinc/50/73/55/793507355.db2.gz GLBOSSWVWNZGAI-BLLLJJGKSA-N 1 2 268.360 1.908 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@@H]3C)cc2C1 ZINC001054253655 793507370 /nfs/dbraw/zinc/50/73/70/793507370.db2.gz GLBOSSWVWNZGAI-BLLLJJGKSA-N 1 2 268.360 1.908 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2cnsn2)C1 ZINC000999893663 793526229 /nfs/dbraw/zinc/52/62/29/793526229.db2.gz JWNPUGHKLGHSLX-NSHDSACASA-N 1 2 294.424 1.831 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2ccccc2n1 ZINC001038955454 793564719 /nfs/dbraw/zinc/56/47/19/793564719.db2.gz JUCBKNYORBOXLA-CQSZACIVSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2ccccc2n1 ZINC001038955454 793564745 /nfs/dbraw/zinc/56/47/45/793564745.db2.gz JUCBKNYORBOXLA-CQSZACIVSA-N 1 2 279.343 1.672 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2[nH]c(C)cc2C)C1 ZINC001035417058 793603329 /nfs/dbraw/zinc/60/33/29/793603329.db2.gz RTHIBVFYAWRRJM-CYBMUJFWSA-N 1 2 277.368 1.248 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2[nH]c(C)cc2C)C1 ZINC001035417058 793603357 /nfs/dbraw/zinc/60/33/57/793603357.db2.gz RTHIBVFYAWRRJM-CYBMUJFWSA-N 1 2 277.368 1.248 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1csc(C)c1C ZINC001038289456 793831951 /nfs/dbraw/zinc/83/19/51/793831951.db2.gz AHTDOYAZWOGRGN-GFCCVEGCSA-N 1 2 262.378 1.802 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1csc(C)c1C ZINC001038289456 793831959 /nfs/dbraw/zinc/83/19/59/793831959.db2.gz AHTDOYAZWOGRGN-GFCCVEGCSA-N 1 2 262.378 1.802 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCO2)C1 ZINC001046122776 793842504 /nfs/dbraw/zinc/84/25/04/793842504.db2.gz OPMVNRMGNRFBNK-DGCLKSJQSA-N 1 2 272.776 1.499 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCO2)C1 ZINC001046122776 793842505 /nfs/dbraw/zinc/84/25/05/793842505.db2.gz OPMVNRMGNRFBNK-DGCLKSJQSA-N 1 2 272.776 1.499 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCCC[C@H]1CC ZINC000884144743 793860115 /nfs/dbraw/zinc/86/01/15/793860115.db2.gz SBGWJHSIGFOVTL-OLZOCXBDSA-N 1 2 282.384 1.614 20 30 CDEDLO CC#CC[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879462247 793870478 /nfs/dbraw/zinc/87/04/78/793870478.db2.gz MDQHNEPVDLZHJS-UHFFFAOYSA-N 1 2 274.364 1.849 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncccc1Cl ZINC001038935673 794019316 /nfs/dbraw/zinc/01/93/16/794019316.db2.gz VRFTWXHZMXJTDX-LLVKDONJSA-N 1 2 277.755 1.562 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncccc1Cl ZINC001038935673 794019323 /nfs/dbraw/zinc/01/93/23/794019323.db2.gz VRFTWXHZMXJTDX-LLVKDONJSA-N 1 2 277.755 1.562 20 30 CDEDLO N#CC1(C[C@H](O)C[N@@H+]2CCOC[C@@H]2CC(F)F)CCC1 ZINC000886202691 794244677 /nfs/dbraw/zinc/24/46/77/794244677.db2.gz BXPVZWZEVQGQDU-RYUDHWBXSA-N 1 2 288.338 1.787 20 30 CDEDLO N#CC1(C[C@H](O)C[N@H+]2CCOC[C@@H]2CC(F)F)CCC1 ZINC000886202691 794244687 /nfs/dbraw/zinc/24/46/87/794244687.db2.gz BXPVZWZEVQGQDU-RYUDHWBXSA-N 1 2 288.338 1.787 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(N(C)C)cc2)C1 ZINC001031307605 794364106 /nfs/dbraw/zinc/36/41/06/794364106.db2.gz ZFPIFRCAJMQGKH-UHFFFAOYSA-N 1 2 273.380 1.743 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C3CC3)nn2C)C1 ZINC001042815604 794503915 /nfs/dbraw/zinc/50/39/15/794503915.db2.gz OTJROAAIYZNAET-UHFFFAOYSA-N 1 2 286.379 1.077 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC13CCC3)CO2 ZINC001053941742 794514068 /nfs/dbraw/zinc/51/40/68/794514068.db2.gz DOGATPODZQHFLJ-UONOGXRCSA-N 1 2 290.407 1.712 20 30 CDEDLO C=CCOc1ccc(C(=O)NC2C[NH+](CC)C2)cc1 ZINC001030541166 794579337 /nfs/dbraw/zinc/57/93/37/794579337.db2.gz GLLACHSLWOFMAK-UHFFFAOYSA-N 1 2 260.337 1.685 20 30 CDEDLO C[C@H](C#N)OCC[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000860172627 794603263 /nfs/dbraw/zinc/60/32/63/794603263.db2.gz HKTIOFYFYJVVAZ-LLVKDONJSA-N 1 2 264.300 1.949 20 30 CDEDLO C[C@H](C#N)OCC[N@H+]1CCOc2cc(F)ccc2C1 ZINC000860172627 794603275 /nfs/dbraw/zinc/60/32/75/794603275.db2.gz HKTIOFYFYJVVAZ-LLVKDONJSA-N 1 2 264.300 1.949 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(-c2cccnc2)n1 ZINC001038460395 794638208 /nfs/dbraw/zinc/63/82/08/794638208.db2.gz VRSJBRKBMORFPR-ZDUSSCGKSA-N 1 2 298.346 1.727 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1coc(-c2cccnc2)n1 ZINC001038460395 794638233 /nfs/dbraw/zinc/63/82/33/794638233.db2.gz VRSJBRKBMORFPR-ZDUSSCGKSA-N 1 2 298.346 1.727 20 30 CDEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)CC)C2)CC1 ZINC001051957989 794690562 /nfs/dbraw/zinc/69/05/62/794690562.db2.gz QCWVYQILNAUBHC-CYBMUJFWSA-N 1 2 285.819 1.367 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccnn2)C1 ZINC001033524925 794764766 /nfs/dbraw/zinc/76/47/66/794764766.db2.gz CDDXXWWSQWHGSG-LLVKDONJSA-N 1 2 280.759 1.375 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccnn2)C1 ZINC001033524925 794764775 /nfs/dbraw/zinc/76/47/75/794764775.db2.gz CDDXXWWSQWHGSG-LLVKDONJSA-N 1 2 280.759 1.375 20 30 CDEDLO CC(C)(C)c1noc(CO[NH+]=C(N)Cc2cccnc2)n1 ZINC000179924791 794795745 /nfs/dbraw/zinc/79/57/45/794795745.db2.gz HWIFKUAVYRPYSY-UHFFFAOYSA-N 1 2 289.339 1.794 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccoc1C1CC1 ZINC001038652888 794801381 /nfs/dbraw/zinc/80/13/81/794801381.db2.gz RWZOWKQXXPFXMX-ZDUSSCGKSA-N 1 2 272.348 1.984 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccoc1C1CC1 ZINC001038652888 794801384 /nfs/dbraw/zinc/80/13/84/794801384.db2.gz RWZOWKQXXPFXMX-ZDUSSCGKSA-N 1 2 272.348 1.984 20 30 CDEDLO C#Cc1cncc(C(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000798175393 794806438 /nfs/dbraw/zinc/80/64/38/794806438.db2.gz KLHTYEMCUWAKMT-UHFFFAOYSA-N 1 2 268.320 1.422 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1csc(Cl)n1 ZINC001038890081 794853658 /nfs/dbraw/zinc/85/36/58/794853658.db2.gz FGNKDRNRTHPCHW-MRVPVSSYSA-N 1 2 271.773 1.787 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1csc(Cl)n1 ZINC001038890081 794853659 /nfs/dbraw/zinc/85/36/59/794853659.db2.gz FGNKDRNRTHPCHW-MRVPVSSYSA-N 1 2 271.773 1.787 20 30 CDEDLO C=CCC1(O)CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000886774739 794864005 /nfs/dbraw/zinc/86/40/05/794864005.db2.gz UPNZADFUGVOABR-HNNXBMFYSA-N 1 2 299.374 1.488 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2c1OCC2(C)C ZINC001039093183 794879623 /nfs/dbraw/zinc/87/96/23/794879623.db2.gz RAKBAAOCTUKFDA-CYBMUJFWSA-N 1 2 298.386 1.794 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2c1OCC2(C)C ZINC001039093183 794879626 /nfs/dbraw/zinc/87/96/26/794879626.db2.gz RAKBAAOCTUKFDA-CYBMUJFWSA-N 1 2 298.386 1.794 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#CC ZINC001032607104 794927634 /nfs/dbraw/zinc/92/76/34/794927634.db2.gz CMHLBGXOEJHWSX-OFQRWUPVSA-N 1 2 260.381 1.897 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#CC ZINC001032607104 794927643 /nfs/dbraw/zinc/92/76/43/794927643.db2.gz CMHLBGXOEJHWSX-OFQRWUPVSA-N 1 2 260.381 1.897 20 30 CDEDLO C#Cc1ccc(C(=O)OCc2cc[nH+]c(N)c2)nc1 ZINC000791857680 794933935 /nfs/dbraw/zinc/93/39/35/794933935.db2.gz YPGQFMSJNAWLNB-UHFFFAOYSA-N 1 2 253.261 1.397 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccns1)O2 ZINC001053607431 794936102 /nfs/dbraw/zinc/93/61/02/794936102.db2.gz UYCHLHHXYSGYBS-LLVKDONJSA-N 1 2 293.392 1.292 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C)nc2)C1 ZINC001035289352 794968877 /nfs/dbraw/zinc/96/88/77/794968877.db2.gz BKFLUGUMSBQMKX-AWEZNQCLSA-N 1 2 275.352 1.007 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C)nc2)C1 ZINC001035289352 794968884 /nfs/dbraw/zinc/96/88/84/794968884.db2.gz BKFLUGUMSBQMKX-AWEZNQCLSA-N 1 2 275.352 1.007 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1scnc1COC ZINC001038779939 795019830 /nfs/dbraw/zinc/01/98/30/795019830.db2.gz ATDKGXFSXDDTRZ-LLVKDONJSA-N 1 2 295.408 1.670 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1scnc1COC ZINC001038779939 795019832 /nfs/dbraw/zinc/01/98/32/795019832.db2.gz ATDKGXFSXDDTRZ-LLVKDONJSA-N 1 2 295.408 1.670 20 30 CDEDLO Cc1[nH+]cc(C=NN2CCc3ccccc3C2=O)n1C ZINC000853326516 795034581 /nfs/dbraw/zinc/03/45/81/795034581.db2.gz CKVOFHQTWZKTES-UHFFFAOYSA-N 1 2 268.320 1.761 20 30 CDEDLO C#Cc1cccnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000853084903 795040439 /nfs/dbraw/zinc/04/04/39/795040439.db2.gz BPZZVAZRKGTEAS-UHFFFAOYSA-N 1 2 264.332 1.785 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1NC(=O)CC ZINC001038821435 795050454 /nfs/dbraw/zinc/05/04/54/795050454.db2.gz RZKOWGIYPNTVMP-CYBMUJFWSA-N 1 2 299.374 1.472 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1NC(=O)CC ZINC001038821435 795050458 /nfs/dbraw/zinc/05/04/58/795050458.db2.gz RZKOWGIYPNTVMP-CYBMUJFWSA-N 1 2 299.374 1.472 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2[nH]c(C)nc2C)C1 ZINC001046628541 795187728 /nfs/dbraw/zinc/18/77/28/795187728.db2.gz XXYGONBBEDLCSF-AWEZNQCLSA-N 1 2 296.802 1.973 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2[nH]c(C)nc2C)C1 ZINC001046628541 795187748 /nfs/dbraw/zinc/18/77/48/795187748.db2.gz XXYGONBBEDLCSF-AWEZNQCLSA-N 1 2 296.802 1.973 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2CCC(C)(C)CO2)C1 ZINC001030696103 795235711 /nfs/dbraw/zinc/23/57/11/795235711.db2.gz NBYOPBANWOREJV-AWEZNQCLSA-N 1 2 280.412 1.958 20 30 CDEDLO CCc1nnc(CO[NH+]=C(N)Cc2ccccc2C)o1 ZINC000160934030 795340170 /nfs/dbraw/zinc/34/01/70/795340170.db2.gz PISFJBGPWWATFI-UHFFFAOYSA-N 1 2 274.324 1.972 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000884103637 795371650 /nfs/dbraw/zinc/37/16/50/795371650.db2.gz PDLNVFCEBCIUDN-AGIUHOORSA-N 1 2 280.368 1.224 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(C)c1CCC ZINC001038458985 795374617 /nfs/dbraw/zinc/37/46/17/795374617.db2.gz ZIIFPBAQXXDZIU-CYBMUJFWSA-N 1 2 288.395 1.200 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(C)c1CCC ZINC001038458985 795374626 /nfs/dbraw/zinc/37/46/26/795374626.db2.gz ZIIFPBAQXXDZIU-CYBMUJFWSA-N 1 2 288.395 1.200 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2n[nH]cc21 ZINC001032404386 795400492 /nfs/dbraw/zinc/40/04/92/795400492.db2.gz FWYYHRYWVYOWOC-IHRRRGAJSA-N 1 2 298.390 1.138 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2n[nH]cc21 ZINC001032404386 795400519 /nfs/dbraw/zinc/40/05/19/795400519.db2.gz FWYYHRYWVYOWOC-IHRRRGAJSA-N 1 2 298.390 1.138 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCO[C@H](C(C)C)C2)C1 ZINC001031207984 795548433 /nfs/dbraw/zinc/54/84/33/795548433.db2.gz QIGNKQGRANGWIY-HIFRSBDPSA-N 1 2 278.396 1.261 20 30 CDEDLO C=CCN(C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1)C(C)C ZINC000817872950 795591082 /nfs/dbraw/zinc/59/10/82/795591082.db2.gz SGGBLHOOHHVBFC-UHFFFAOYSA-N 1 2 289.379 1.738 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn(C)c2C)C1 ZINC001042479713 795652461 /nfs/dbraw/zinc/65/24/61/795652461.db2.gz JTZUTIBYWTWHMY-UHFFFAOYSA-N 1 2 262.357 1.061 20 30 CDEDLO Cn1c[nH+]cc1CCOC(=O)Cc1cccc(OCC#N)c1 ZINC000810698173 795745234 /nfs/dbraw/zinc/74/52/34/795745234.db2.gz NLDZJFYFGAIBAQ-UHFFFAOYSA-N 1 2 299.330 1.651 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCO[C@H]2C)C1 ZINC001042660050 795758350 /nfs/dbraw/zinc/75/83/50/795758350.db2.gz BTQIIUBNHDPSBC-WCQYABFASA-N 1 2 252.358 1.130 20 30 CDEDLO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1snnc1C ZINC001024324325 795778589 /nfs/dbraw/zinc/77/85/89/795778589.db2.gz TXGMUDUAXBVIJI-LBPRGKRZSA-N 1 2 292.408 1.454 20 30 CDEDLO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1snnc1C ZINC001024324325 795778614 /nfs/dbraw/zinc/77/86/14/795778614.db2.gz TXGMUDUAXBVIJI-LBPRGKRZSA-N 1 2 292.408 1.454 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccccc2COC)C1 ZINC001031090188 795792212 /nfs/dbraw/zinc/79/22/12/795792212.db2.gz PRASBDRBJLRWKN-UHFFFAOYSA-N 1 2 286.375 1.199 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2cc3ccccn3c2)C1 ZINC001043998408 795832229 /nfs/dbraw/zinc/83/22/29/795832229.db2.gz FTPOLQVEYMCDPR-UHFFFAOYSA-N 1 2 269.348 1.882 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000775990633 795832303 /nfs/dbraw/zinc/83/23/03/795832303.db2.gz TYJMVQXCCMLQLL-HNNXBMFYSA-N 1 2 283.375 1.715 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000775990633 795832308 /nfs/dbraw/zinc/83/23/08/795832308.db2.gz TYJMVQXCCMLQLL-HNNXBMFYSA-N 1 2 283.375 1.715 20 30 CDEDLO C[C@H]1C[NH+]=C(NN=Cc2cc(Cl)c(F)cc2O)N1 ZINC000814896948 795838896 /nfs/dbraw/zinc/83/88/96/795838896.db2.gz BIGOQFPXTOGEPN-LURJTMIESA-N 1 2 270.695 1.456 20 30 CDEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2ccc(F)cc2C#N)C1 ZINC000805470092 795908261 /nfs/dbraw/zinc/90/82/61/795908261.db2.gz QMHULWIRLJGRBU-CQSZACIVSA-N 1 2 292.310 1.461 20 30 CDEDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2ccc(F)cc2C#N)C1 ZINC000805470092 795908294 /nfs/dbraw/zinc/90/82/94/795908294.db2.gz QMHULWIRLJGRBU-CQSZACIVSA-N 1 2 292.310 1.461 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(CCC)n1 ZINC001032731013 796049179 /nfs/dbraw/zinc/04/91/79/796049179.db2.gz WOACWPGRSIPLHP-STQMWFEESA-N 1 2 287.363 1.549 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(CCC)n1 ZINC001032731013 796049188 /nfs/dbraw/zinc/04/91/88/796049188.db2.gz WOACWPGRSIPLHP-STQMWFEESA-N 1 2 287.363 1.549 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ncccn2)C1 ZINC001033518726 796063867 /nfs/dbraw/zinc/06/38/67/796063867.db2.gz HIIFNOZBQRHYKZ-LLVKDONJSA-N 1 2 280.759 1.375 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ncccn2)C1 ZINC001033518726 796063873 /nfs/dbraw/zinc/06/38/73/796063873.db2.gz HIIFNOZBQRHYKZ-LLVKDONJSA-N 1 2 280.759 1.375 20 30 CDEDLO Cc1nc(N(C)[C@H]2CCCN(C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001061207625 796080175 /nfs/dbraw/zinc/08/01/75/796080175.db2.gz ONKNDIKKPHADKV-HNNXBMFYSA-N 1 2 298.390 1.626 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cn(C)nn2)CC[C@@H]1C ZINC001071467550 796097696 /nfs/dbraw/zinc/09/76/96/796097696.db2.gz TUKCKAMFVRZZTI-WDEREUQCSA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cn(C)nn2)CC[C@@H]1C ZINC001071467550 796097701 /nfs/dbraw/zinc/09/77/01/796097701.db2.gz TUKCKAMFVRZZTI-WDEREUQCSA-N 1 2 297.790 1.150 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C=C)c1ccccc1 ZINC001032796234 796268445 /nfs/dbraw/zinc/26/84/45/796268445.db2.gz ZIWFTPMOMWEFIV-ULQDDVLXSA-N 1 2 280.371 1.875 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C=C)c1ccccc1 ZINC001032796234 796268483 /nfs/dbraw/zinc/26/84/83/796268483.db2.gz ZIWFTPMOMWEFIV-ULQDDVLXSA-N 1 2 280.371 1.875 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001028150311 796306173 /nfs/dbraw/zinc/30/61/73/796306173.db2.gz PBBKPVQXVFEARA-SYQHCUMBSA-N 1 2 298.814 1.887 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001028150311 796306176 /nfs/dbraw/zinc/30/61/76/796306176.db2.gz PBBKPVQXVFEARA-SYQHCUMBSA-N 1 2 298.814 1.887 20 30 CDEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C3(CC)CC3)C2)CC1 ZINC001052080080 796336658 /nfs/dbraw/zinc/33/66/58/796336658.db2.gz WIKXUDMMZNGALG-HNNXBMFYSA-N 1 2 289.423 1.028 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C(F)F)CC1 ZINC001032403470 796342612 /nfs/dbraw/zinc/34/26/12/796342612.db2.gz SJJGEZGHSXMHJZ-QWRGUYRKSA-N 1 2 268.307 1.340 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C(F)F)CC1 ZINC001032403470 796342609 /nfs/dbraw/zinc/34/26/09/796342609.db2.gz SJJGEZGHSXMHJZ-QWRGUYRKSA-N 1 2 268.307 1.340 20 30 CDEDLO Cc1cc(N=NC2CCN(c3cccc[nH+]3)CC2)nc(N)n1 ZINC000872420542 796344903 /nfs/dbraw/zinc/34/49/03/796344903.db2.gz SIDDEVXKWIDDQK-UHFFFAOYSA-N 1 2 297.366 1.831 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C1(C#N)CCCCC1 ZINC000874702949 796349635 /nfs/dbraw/zinc/34/96/35/796349635.db2.gz LBQSFTUFVSYRRE-CQSZACIVSA-N 1 2 293.411 1.687 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C1(C#N)CCCCC1 ZINC000874702949 796349638 /nfs/dbraw/zinc/34/96/38/796349638.db2.gz LBQSFTUFVSYRRE-CQSZACIVSA-N 1 2 293.411 1.687 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001032676589 796381554 /nfs/dbraw/zinc/38/15/54/796381554.db2.gz YTBFDXMRQHVMPV-YHUYYLMFSA-N 1 2 272.392 1.731 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001032676589 796381561 /nfs/dbraw/zinc/38/15/61/796381561.db2.gz YTBFDXMRQHVMPV-YHUYYLMFSA-N 1 2 272.392 1.731 20 30 CDEDLO CC[C@@]1(C)CC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853523775 796388921 /nfs/dbraw/zinc/38/89/21/796388921.db2.gz GSTHXJUHOMZBBN-WFASDCNBSA-N 1 2 277.368 1.745 20 30 CDEDLO CC[C@@]1(C)CC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853523775 796388926 /nfs/dbraw/zinc/38/89/26/796388926.db2.gz GSTHXJUHOMZBBN-WFASDCNBSA-N 1 2 277.368 1.745 20 30 CDEDLO C#CCCc1noc(C[N@@H+](C)[C@@H]2CCSC2)n1 ZINC000785583101 796420312 /nfs/dbraw/zinc/42/03/12/796420312.db2.gz BMDONRPYPLFSGI-SNVBAGLBSA-N 1 2 251.355 1.573 20 30 CDEDLO C#CCCc1noc(C[N@H+](C)[C@@H]2CCSC2)n1 ZINC000785583101 796420316 /nfs/dbraw/zinc/42/03/16/796420316.db2.gz BMDONRPYPLFSGI-SNVBAGLBSA-N 1 2 251.355 1.573 20 30 CDEDLO C=CCOc1cc(C)nc(NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC001155196940 1167105817 /nfs/dbraw/zinc/10/58/17/1167105817.db2.gz QPLWALVZBZNQOO-GFCCVEGCSA-N 1 2 278.356 1.092 20 30 CDEDLO C=CCOc1cc(C)nc(NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001155196940 1167105820 /nfs/dbraw/zinc/10/58/20/1167105820.db2.gz QPLWALVZBZNQOO-GFCCVEGCSA-N 1 2 278.356 1.092 20 30 CDEDLO COC(=O)[C@H]([NH3+])Cc1cn(C2CCC(C)(C#N)CC2)cn1 ZINC001173592522 912639575 /nfs/dbraw/zinc/63/95/75/912639575.db2.gz RVVDUQPRRXTATR-JVWICGRDSA-N 1 2 290.367 1.571 20 30 CDEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cocn1 ZINC001272378093 912978895 /nfs/dbraw/zinc/97/88/95/912978895.db2.gz NUMPRYCHIIZBAU-CHWSQXEVSA-N 1 2 261.325 1.426 20 30 CDEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cocn1 ZINC001272378093 912978907 /nfs/dbraw/zinc/97/89/07/912978907.db2.gz NUMPRYCHIIZBAU-CHWSQXEVSA-N 1 2 261.325 1.426 20 30 CDEDLO N#CCCCN1C[C@@]2(F)C[N@@H+](CC3CC3)C[C@@]2(F)C1=O ZINC001272484519 913226565 /nfs/dbraw/zinc/22/65/65/913226565.db2.gz WHMOQGCLONAECO-UONOGXRCSA-N 1 2 283.322 1.275 20 30 CDEDLO N#CCCCN1C[C@@]2(F)C[N@H+](CC3CC3)C[C@@]2(F)C1=O ZINC001272484519 913226575 /nfs/dbraw/zinc/22/65/75/913226575.db2.gz WHMOQGCLONAECO-UONOGXRCSA-N 1 2 283.322 1.275 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2ccncc2C)CC1 ZINC001175869146 913835703 /nfs/dbraw/zinc/83/57/03/913835703.db2.gz CUWDKIKUXAKEED-UHFFFAOYSA-N 1 2 273.380 1.653 20 30 CDEDLO C#CCC[N@H+]1CC[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001266321306 894372385 /nfs/dbraw/zinc/37/23/85/894372385.db2.gz OIEZJKDRGVBWFH-IUCAKERBSA-N 1 2 266.238 1.101 20 30 CDEDLO C#CCC[N@@H+]1CC[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001266321306 894372399 /nfs/dbraw/zinc/37/23/99/894372399.db2.gz OIEZJKDRGVBWFH-IUCAKERBSA-N 1 2 266.238 1.101 20 30 CDEDLO COC(=O)c1ccc(NCc2cc[nH+]c(N)c2)c(C#N)n1 ZINC001167616296 897049968 /nfs/dbraw/zinc/04/99/68/897049968.db2.gz FGWPMSAMTXDHCV-UHFFFAOYSA-N 1 2 283.291 1.329 20 30 CDEDLO C[N@@H+]1CCc2ncnc(NCc3ccccc3C#N)c2C1 ZINC001167636128 897129256 /nfs/dbraw/zinc/12/92/56/897129256.db2.gz VVIHZRKBMVGMNP-UHFFFAOYSA-N 1 2 279.347 1.948 20 30 CDEDLO C[N@H+]1CCc2ncnc(NCc3ccccc3C#N)c2C1 ZINC001167636128 897129260 /nfs/dbraw/zinc/12/92/60/897129260.db2.gz VVIHZRKBMVGMNP-UHFFFAOYSA-N 1 2 279.347 1.948 20 30 CDEDLO C[C@H](CNC(=O)CCn1cc[nH+]c1)Nc1ccc(C#N)nc1 ZINC001098168015 898621817 /nfs/dbraw/zinc/62/18/17/898621817.db2.gz QJYXWVVYVJMOFQ-GFCCVEGCSA-N 1 2 298.350 1.157 20 30 CDEDLO N#Cc1c(F)ccc(NC(=O)Cc2c[nH]c[nH+]2)c1F ZINC001176832326 914286194 /nfs/dbraw/zinc/28/61/94/914286194.db2.gz OJGTYHVQJNSXNV-UHFFFAOYSA-N 1 2 262.219 1.741 20 30 CDEDLO CCN(CCNc1ccc(C#N)nc1)C(=O)Cn1cc[nH+]c1 ZINC001106789888 914306404 /nfs/dbraw/zinc/30/64/04/914306404.db2.gz HSQRZVOFCDLFDB-UHFFFAOYSA-N 1 2 298.350 1.110 20 30 CDEDLO C=CCCC[N@H+]1CCO[C@H]2CCN(C(=O)C(F)F)C[C@@H]21 ZINC001176871589 914314224 /nfs/dbraw/zinc/31/42/24/914314224.db2.gz MNHHDAKNKOKCMO-RYUDHWBXSA-N 1 2 288.338 1.519 20 30 CDEDLO C=CCCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(F)F)C[C@@H]21 ZINC001176871589 914314234 /nfs/dbraw/zinc/31/42/34/914314234.db2.gz MNHHDAKNKOKCMO-RYUDHWBXSA-N 1 2 288.338 1.519 20 30 CDEDLO C#CCC1(C(=O)N2CC[C@@H]3OCC[N@@H+](CC)[C@H]3C2)CCC1 ZINC001177031703 914440867 /nfs/dbraw/zinc/44/08/67/914440867.db2.gz WUINIQUZLWXQRW-GJZGRUSLSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCC1(C(=O)N2CC[C@@H]3OCC[N@H+](CC)[C@H]3C2)CCC1 ZINC001177031703 914440874 /nfs/dbraw/zinc/44/08/74/914440874.db2.gz WUINIQUZLWXQRW-GJZGRUSLSA-N 1 2 290.407 1.502 20 30 CDEDLO C[N@@H+]1CCO[C@H](CO/C(=N\O)c2ccc(Cl)cc2)C1 ZINC001223594243 901745669 /nfs/dbraw/zinc/74/56/69/901745669.db2.gz VPRQCCNVPHPNFI-AHAXBBEGSA-N 1 2 284.743 1.823 20 30 CDEDLO C[N@H+]1CCO[C@H](CO/C(=N\O)c2ccc(Cl)cc2)C1 ZINC001223594243 901745678 /nfs/dbraw/zinc/74/56/78/901745678.db2.gz VPRQCCNVPHPNFI-AHAXBBEGSA-N 1 2 284.743 1.823 20 30 CDEDLO C#CCCCC(=O)NCC[NH2+][C@H](C)c1nc(CC)no1 ZINC001126355631 902226381 /nfs/dbraw/zinc/22/63/81/902226381.db2.gz DMJKTJXMNKWYDQ-LLVKDONJSA-N 1 2 278.356 1.202 20 30 CDEDLO CN(CC(=O)N1CCCC[C@@H]1C#N)c1cccc[nH+]1 ZINC001177410682 914667383 /nfs/dbraw/zinc/66/73/83/914667383.db2.gz ZGYHMBOUCJUGCP-GFCCVEGCSA-N 1 2 258.325 1.422 20 30 CDEDLO C=C(C)C(=O)OCCNc1ccc(OC)c(C)[nH+]1 ZINC001168076365 906725949 /nfs/dbraw/zinc/72/59/49/906725949.db2.gz ITHWKPVEFMNPNR-UHFFFAOYSA-N 1 2 250.298 1.930 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(C)=O)[C@H]2C)c1 ZINC001088437566 907191060 /nfs/dbraw/zinc/19/10/60/907191060.db2.gz JPLKYBXMQUHYOB-WBMJQRKESA-N 1 2 299.374 1.205 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(C)=O)[C@H]2C)c1 ZINC001088437566 907191074 /nfs/dbraw/zinc/19/10/74/907191074.db2.gz JPLKYBXMQUHYOB-WBMJQRKESA-N 1 2 299.374 1.205 20 30 CDEDLO C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3cn[nH]c32)[C@H]1C ZINC001088568478 907982191 /nfs/dbraw/zinc/98/21/91/907982191.db2.gz JLBJYUQCVFJZJY-BNOWGMLFSA-N 1 2 288.395 1.595 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3cn[nH]c32)[C@H]1C ZINC001088568478 907982197 /nfs/dbraw/zinc/98/21/97/907982197.db2.gz JLBJYUQCVFJZJY-BNOWGMLFSA-N 1 2 288.395 1.595 20 30 CDEDLO Nc1ccccc1C(NO)=[NH+]c1cnc(N2CCCC2)nc1 ZINC001211936212 908040501 /nfs/dbraw/zinc/04/05/01/908040501.db2.gz GAYWHQNWGFCHRZ-UHFFFAOYSA-N 1 2 298.350 1.716 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccnnc2C)[C@H]1C ZINC001088708861 909180028 /nfs/dbraw/zinc/18/00/28/909180028.db2.gz GZGDASWOYGCQJL-YPMHNXCESA-N 1 2 294.786 1.730 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccnnc2C)[C@H]1C ZINC001088708861 909180034 /nfs/dbraw/zinc/18/00/34/909180034.db2.gz GZGDASWOYGCQJL-YPMHNXCESA-N 1 2 294.786 1.730 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C1=CCCC1)c1nccn12 ZINC001092360332 909374656 /nfs/dbraw/zinc/37/46/56/909374656.db2.gz VOCNOGBQTJBKBZ-AWEZNQCLSA-N 1 2 298.390 1.751 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2C)[C@H]1C ZINC001088782270 909405531 /nfs/dbraw/zinc/40/55/31/909405531.db2.gz IWEDBLAKOWWHTD-PWSUYJOCSA-N 1 2 282.775 1.663 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2C)[C@H]1C ZINC001088782270 909405533 /nfs/dbraw/zinc/40/55/33/909405533.db2.gz IWEDBLAKOWWHTD-PWSUYJOCSA-N 1 2 282.775 1.663 20 30 CDEDLO O=C(C#CC1CC1)NCC[NH2+]Cc1nc2c(o1)CCCC2 ZINC001126881371 909509959 /nfs/dbraw/zinc/50/99/59/909509959.db2.gz QUHGINUCQIUJSJ-UHFFFAOYSA-N 1 2 287.363 1.173 20 30 CDEDLO C[C@H]([NH2+]CCNC(=O)C#CC(C)(C)C)c1csnn1 ZINC001126915918 909768799 /nfs/dbraw/zinc/76/87/99/909768799.db2.gz KFJRJRVBZOIZBT-JTQLQIEISA-N 1 2 280.397 1.354 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccoc2)[C@@H](O)C1 ZINC001090068515 921598223 /nfs/dbraw/zinc/59/82/23/921598223.db2.gz LXTFFACCXJFGRY-RYUDHWBXSA-N 1 2 284.743 1.197 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccoc2)[C@@H](O)C1 ZINC001090068515 921598232 /nfs/dbraw/zinc/59/82/32/921598232.db2.gz LXTFFACCXJFGRY-RYUDHWBXSA-N 1 2 284.743 1.197 20 30 CDEDLO C=CCCOCC(=O)NCC1(Nc2cc[nH+]c(C)n2)CC1 ZINC001110163593 910777501 /nfs/dbraw/zinc/77/75/01/910777501.db2.gz QBLYXZNMWQKZIB-UHFFFAOYSA-N 1 2 290.367 1.438 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1c(C)n[nH]c1C ZINC001483414905 911085591 /nfs/dbraw/zinc/08/55/91/911085591.db2.gz NCOFNNCZNVGLSG-JTQLQIEISA-N 1 2 298.818 1.758 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1c(C)n[nH]c1C ZINC001483414905 911085611 /nfs/dbraw/zinc/08/56/11/911085611.db2.gz NCOFNNCZNVGLSG-JTQLQIEISA-N 1 2 298.818 1.758 20 30 CDEDLO Cn1ncc(Nc2ccc(C[NH+]3CC(O)C3)cc2)c1C#N ZINC001212667569 911723335 /nfs/dbraw/zinc/72/33/35/911723335.db2.gz ZIAXONCUWRRHLZ-UHFFFAOYSA-N 1 2 283.335 1.212 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2nccs2)C1 ZINC001189911028 921714645 /nfs/dbraw/zinc/71/46/45/921714645.db2.gz WVDFLECVFGZCNB-ZDUSSCGKSA-N 1 2 291.420 1.979 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2nccs2)C1 ZINC001189911028 921714652 /nfs/dbraw/zinc/71/46/52/921714652.db2.gz WVDFLECVFGZCNB-ZDUSSCGKSA-N 1 2 291.420 1.979 20 30 CDEDLO C=CCCCC(=O)N1CC[C@H]([NH2+]Cc2nc(C)no2)[C@@H]1C ZINC001179452569 915842500 /nfs/dbraw/zinc/84/25/00/915842500.db2.gz VXIYPDKTPIVAFU-AAEUAGOBSA-N 1 2 292.383 1.813 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001212320825 915876928 /nfs/dbraw/zinc/87/69/28/915876928.db2.gz CEPQHZWLQDGECZ-ZIAGYGMSSA-N 1 2 284.375 1.540 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001212320825 915876940 /nfs/dbraw/zinc/87/69/40/915876940.db2.gz CEPQHZWLQDGECZ-ZIAGYGMSSA-N 1 2 284.375 1.540 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccncc2Br)CC1 ZINC001137695148 936390578 /nfs/dbraw/zinc/39/05/78/936390578.db2.gz XXNMTEMJCLLTEN-UHFFFAOYSA-N 1 2 294.196 1.595 20 30 CDEDLO COc1ccc(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)c(C#N)c1 ZINC001137698230 936391354 /nfs/dbraw/zinc/39/13/54/936391354.db2.gz OZOJUGJKZUWEBD-GASCZTMLSA-N 1 2 276.336 1.412 20 30 CDEDLO COc1ccc(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)c(C#N)c1 ZINC001137698230 936391358 /nfs/dbraw/zinc/39/13/58/936391358.db2.gz OZOJUGJKZUWEBD-GASCZTMLSA-N 1 2 276.336 1.412 20 30 CDEDLO N#Cc1ccccc1CC(=O)N1CCc2[nH+]ccn2CC1 ZINC001181797947 917382578 /nfs/dbraw/zinc/38/25/78/917382578.db2.gz LFHNTGOYKZELHH-UHFFFAOYSA-N 1 2 280.331 1.382 20 30 CDEDLO C#CC1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000826714778 936432126 /nfs/dbraw/zinc/43/21/26/936432126.db2.gz JKYNRUGLWRGTPE-UHFFFAOYSA-N 1 2 272.352 1.163 20 30 CDEDLO C#CC1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000826714778 936432128 /nfs/dbraw/zinc/43/21/28/936432128.db2.gz JKYNRUGLWRGTPE-UHFFFAOYSA-N 1 2 272.352 1.163 20 30 CDEDLO COc1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1C#N ZINC000830417060 936459035 /nfs/dbraw/zinc/45/90/35/936459035.db2.gz OKCVILWWJUGQJV-NSHDSACASA-N 1 2 296.330 1.964 20 30 CDEDLO N#CNC(=NC(=O)[C@@H]1CCC[N@@H+]1CC1CC1)c1ccncc1 ZINC001182559756 917969072 /nfs/dbraw/zinc/96/90/72/917969072.db2.gz ZDCSJRQHYIBICK-AWEZNQCLSA-N 1 2 297.362 1.300 20 30 CDEDLO N#CNC(=NC(=O)[C@@H]1CCC[N@H+]1CC1CC1)c1ccncc1 ZINC001182559756 917969077 /nfs/dbraw/zinc/96/90/77/917969077.db2.gz ZDCSJRQHYIBICK-AWEZNQCLSA-N 1 2 297.362 1.300 20 30 CDEDLO Cc1nc(N[C@H](C)CN(C)C(=O)[C@H](C)C#N)cc[nH+]1 ZINC001115660002 917997776 /nfs/dbraw/zinc/99/77/76/917997776.db2.gz JCBRKCNSDMOIGY-NXEZZACHSA-N 1 2 261.329 1.204 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc3c(c2)OCC3)CC1 ZINC001182650305 918056938 /nfs/dbraw/zinc/05/69/38/918056938.db2.gz HDPIXYBZACVMNW-UHFFFAOYSA-N 1 2 286.375 1.494 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc(C)no2)C1 ZINC001182918768 918216392 /nfs/dbraw/zinc/21/63/92/918216392.db2.gz NRAWOAILPQTMPR-DGCLKSJQSA-N 1 2 292.383 1.986 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001182940262 918246144 /nfs/dbraw/zinc/24/61/44/918246144.db2.gz KTBWXRYLYFKGIS-LLVKDONJSA-N 1 2 280.397 1.585 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(Cl)c[nH]2)C1 ZINC001107732347 918703685 /nfs/dbraw/zinc/70/36/85/918703685.db2.gz FKJOOFOYRUMUSK-CQSZACIVSA-N 1 2 297.786 1.675 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(Cl)c[nH]2)C1 ZINC001107732347 918703692 /nfs/dbraw/zinc/70/36/92/918703692.db2.gz FKJOOFOYRUMUSK-CQSZACIVSA-N 1 2 297.786 1.675 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccccc2O)C1 ZINC001107750746 918736523 /nfs/dbraw/zinc/73/65/23/918736523.db2.gz YZCQGQRUEPOHSY-INIZCTEOSA-N 1 2 290.363 1.399 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)/C(C)=C/C)C1 ZINC001107852320 918883828 /nfs/dbraw/zinc/88/38/28/918883828.db2.gz GRYGGCPKDJKNGE-TZWLIRKLSA-N 1 2 252.358 1.346 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)/C(C)=C/C)C1 ZINC001107852320 918883846 /nfs/dbraw/zinc/88/38/46/918883846.db2.gz GRYGGCPKDJKNGE-TZWLIRKLSA-N 1 2 252.358 1.346 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2CC(F)(F)C2)C1 ZINC001107857563 918898371 /nfs/dbraw/zinc/89/83/71/918898371.db2.gz XFJVBARNUBDMID-CYBMUJFWSA-N 1 2 288.338 1.425 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2CC(F)(F)C2)C1 ZINC001107857563 918898386 /nfs/dbraw/zinc/89/83/86/918898386.db2.gz XFJVBARNUBDMID-CYBMUJFWSA-N 1 2 288.338 1.425 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2[nH]ccc2C)C1 ZINC001107910470 919036987 /nfs/dbraw/zinc/03/69/87/919036987.db2.gz GWWLAPYIHXJEMJ-HNNXBMFYSA-N 1 2 277.368 1.330 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2[nH]ccc2C)C1 ZINC001107910470 919036999 /nfs/dbraw/zinc/03/69/99/919036999.db2.gz GWWLAPYIHXJEMJ-HNNXBMFYSA-N 1 2 277.368 1.330 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc[nH]c2CC)C1 ZINC001107916385 919041713 /nfs/dbraw/zinc/04/17/13/919041713.db2.gz FTIMGNNWVLYEIX-MRXNPFEDSA-N 1 2 291.395 1.584 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc[nH]c2CC)C1 ZINC001107916385 919041725 /nfs/dbraw/zinc/04/17/25/919041725.db2.gz FTIMGNNWVLYEIX-MRXNPFEDSA-N 1 2 291.395 1.584 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(OC(=O)CC)cc2)CC1 ZINC001138964918 936585960 /nfs/dbraw/zinc/58/59/60/936585960.db2.gz ISFQAYWUHOFUSY-UHFFFAOYSA-N 1 2 286.375 1.753 20 30 CDEDLO COc1ccc(C[NH+]2CCC(C#N)CC2)nc1OC ZINC001139099767 936596973 /nfs/dbraw/zinc/59/69/73/936596973.db2.gz KUVYVTITWUEVQF-UHFFFAOYSA-N 1 2 261.325 1.834 20 30 CDEDLO Cc1cc(C)c(NC(=O)N2CC[C@@](O)(CC#N)C2)c(C)[nH+]1 ZINC001413582379 936616988 /nfs/dbraw/zinc/61/69/88/936616988.db2.gz FLEYFDJWWSBBMF-HNNXBMFYSA-N 1 2 288.351 1.889 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001078018302 920059735 /nfs/dbraw/zinc/05/97/35/920059735.db2.gz VDTSKTLWPPZIEL-IAGOWNOFSA-N 1 2 296.370 1.054 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001078018302 920059750 /nfs/dbraw/zinc/05/97/50/920059750.db2.gz VDTSKTLWPPZIEL-IAGOWNOFSA-N 1 2 296.370 1.054 20 30 CDEDLO CC(=O)N(C)C1C[NH+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139703873 936638366 /nfs/dbraw/zinc/63/83/66/936638366.db2.gz WOXDOQFXVSVJSO-UHFFFAOYSA-N 1 2 282.347 1.702 20 30 CDEDLO COC(=O)N1CCC[N@H+](Cc2cc(F)cc(C#N)c2)CC1 ZINC001139873313 936655449 /nfs/dbraw/zinc/65/54/49/936655449.db2.gz JXKVIBXXGFGFJH-UHFFFAOYSA-N 1 2 291.326 1.971 20 30 CDEDLO COC(=O)N1CCC[N@@H+](Cc2cc(F)cc(C#N)c2)CC1 ZINC001139873313 936655450 /nfs/dbraw/zinc/65/54/50/936655450.db2.gz JXKVIBXXGFGFJH-UHFFFAOYSA-N 1 2 291.326 1.971 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(F)cc(C#N)c2)CCCO1 ZINC001139878746 936655768 /nfs/dbraw/zinc/65/57/68/936655768.db2.gz WIENMSBXCJAHEX-AWEZNQCLSA-N 1 2 292.310 1.461 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(F)cc(C#N)c2)CCCO1 ZINC001139878746 936655769 /nfs/dbraw/zinc/65/57/69/936655769.db2.gz WIENMSBXCJAHEX-AWEZNQCLSA-N 1 2 292.310 1.461 20 30 CDEDLO C#CCCC[N@@H+]1C[C@]2(F)CN(C3CCCC3)C(=O)[C@]2(F)C1 ZINC001273542727 920568771 /nfs/dbraw/zinc/56/87/71/920568771.db2.gz ZDDZZUIKGXINFY-JKSUJKDBSA-N 1 2 296.361 1.917 20 30 CDEDLO C#CCCC[N@H+]1C[C@]2(F)CN(C3CCCC3)C(=O)[C@]2(F)C1 ZINC001273542727 920568782 /nfs/dbraw/zinc/56/87/82/920568782.db2.gz ZDDZZUIKGXINFY-JKSUJKDBSA-N 1 2 296.361 1.917 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21 ZINC001187736496 920638562 /nfs/dbraw/zinc/63/85/62/920638562.db2.gz IRSUVBKVUWPZDE-LSDHHAIUSA-N 1 2 298.390 1.313 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21 ZINC001187736496 920638571 /nfs/dbraw/zinc/63/85/71/920638571.db2.gz IRSUVBKVUWPZDE-LSDHHAIUSA-N 1 2 298.390 1.313 20 30 CDEDLO Cc1conc1C[N@@H+](C)[C@@H]1CCN(C(=O)C#CC(C)C)C1 ZINC001190053521 921814492 /nfs/dbraw/zinc/81/44/92/921814492.db2.gz JSEJGSNMJRMDAS-CQSZACIVSA-N 1 2 289.379 1.675 20 30 CDEDLO Cc1conc1C[N@H+](C)[C@@H]1CCN(C(=O)C#CC(C)C)C1 ZINC001190053521 921814495 /nfs/dbraw/zinc/81/44/95/921814495.db2.gz JSEJGSNMJRMDAS-CQSZACIVSA-N 1 2 289.379 1.675 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(F)c[nH]2)C1 ZINC001108077830 921923522 /nfs/dbraw/zinc/92/35/22/921923522.db2.gz AEASPNFTEYWHLC-CQSZACIVSA-N 1 2 281.331 1.161 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(F)c[nH]2)C1 ZINC001108077830 921923540 /nfs/dbraw/zinc/92/35/40/921923540.db2.gz AEASPNFTEYWHLC-CQSZACIVSA-N 1 2 281.331 1.161 20 30 CDEDLO Cc1[nH+]cc(NS(=O)(=O)c2cc(C#N)ccc2F)n1C ZINC001190619343 922082180 /nfs/dbraw/zinc/08/21/80/922082180.db2.gz IKGALLMRNANQOX-UHFFFAOYSA-N 1 2 294.311 1.540 20 30 CDEDLO N#Cc1c(F)cc(C[NH+]2CCC(NC(N)=O)CC2)cc1F ZINC001140751047 936750200 /nfs/dbraw/zinc/75/02/00/936750200.db2.gz HOLWBASQNGJEHB-UHFFFAOYSA-N 1 2 294.305 1.469 20 30 CDEDLO N#Cc1c(F)cc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)cc1F ZINC001140753151 936750590 /nfs/dbraw/zinc/75/05/90/936750590.db2.gz YUIROBKHHNFQAL-YGRLFVJLSA-N 1 2 282.290 1.012 20 30 CDEDLO N#Cc1c(F)cc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)cc1F ZINC001140753151 936750592 /nfs/dbraw/zinc/75/05/92/936750592.db2.gz YUIROBKHHNFQAL-YGRLFVJLSA-N 1 2 282.290 1.012 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC2CCC2)[C@@H](O)C1 ZINC001090167476 922423424 /nfs/dbraw/zinc/42/34/24/922423424.db2.gz VSFOINVEKRNPNV-OLZOCXBDSA-N 1 2 286.803 1.481 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC2CCC2)[C@@H](O)C1 ZINC001090167476 922423430 /nfs/dbraw/zinc/42/34/30/922423430.db2.gz VSFOINVEKRNPNV-OLZOCXBDSA-N 1 2 286.803 1.481 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001034345931 922607373 /nfs/dbraw/zinc/60/73/73/922607373.db2.gz VRTSWPZXQAXSNU-NSHDSACASA-N 1 2 297.790 1.450 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001034345931 922607383 /nfs/dbraw/zinc/60/73/83/922607383.db2.gz VRTSWPZXQAXSNU-NSHDSACASA-N 1 2 297.790 1.450 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1O ZINC001191622458 922671174 /nfs/dbraw/zinc/67/11/74/922671174.db2.gz NHGJQFOJHUMLFY-HUUCEWRRSA-N 1 2 292.354 1.453 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1O ZINC001191622458 922671181 /nfs/dbraw/zinc/67/11/81/922671181.db2.gz NHGJQFOJHUMLFY-HUUCEWRRSA-N 1 2 292.354 1.453 20 30 CDEDLO N#Cc1cccc(N2CC[NH+](Cc3cnco3)CC2)c1 ZINC001140933928 936778401 /nfs/dbraw/zinc/77/84/01/936778401.db2.gz NEVKHHGTJJLZTR-UHFFFAOYSA-N 1 2 268.320 1.868 20 30 CDEDLO Cc1nccnc1C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001140936743 936779082 /nfs/dbraw/zinc/77/90/82/936779082.db2.gz ZMEFQRDYKWILLY-LBPRGKRZSA-N 1 2 261.350 1.559 20 30 CDEDLO Cc1nccnc1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001140936743 936779084 /nfs/dbraw/zinc/77/90/84/936779084.db2.gz ZMEFQRDYKWILLY-LBPRGKRZSA-N 1 2 261.350 1.559 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(Cl)nn2C)CC1 ZINC001192911318 923320072 /nfs/dbraw/zinc/32/00/72/923320072.db2.gz VLUARBCSQIUZGV-UHFFFAOYSA-N 1 2 268.748 1.017 20 30 CDEDLO Cc1cn2c(cccc2NS(=O)(=O)[C@@H](C)C#N)[nH+]1 ZINC001193095527 923470628 /nfs/dbraw/zinc/47/06/28/923470628.db2.gz ZZIRQYQRLAMHFP-VIFPVBQESA-N 1 2 264.310 1.297 20 30 CDEDLO CCOC(=O)c1cc(C[NH+]2CCC(CC#N)CC2)nn1C ZINC001250544716 923922344 /nfs/dbraw/zinc/92/23/44/923922344.db2.gz LMOMEOFJRCLYKT-UHFFFAOYSA-N 1 2 290.367 1.722 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C3CC3)CC2)[C@H](O)C1 ZINC001090347464 924117328 /nfs/dbraw/zinc/11/73/28/924117328.db2.gz RLGKRRJUBUFKPJ-QWHCGFSZSA-N 1 2 298.814 1.481 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C3CC3)CC2)[C@H](O)C1 ZINC001090347464 924117334 /nfs/dbraw/zinc/11/73/34/924117334.db2.gz RLGKRRJUBUFKPJ-QWHCGFSZSA-N 1 2 298.814 1.481 20 30 CDEDLO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001079699092 924408044 /nfs/dbraw/zinc/40/80/44/924408044.db2.gz ASDUAJSRZDVBDV-TYNCELHUSA-N 1 2 288.395 1.452 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H](C)COC)CC1 ZINC001195232972 924496496 /nfs/dbraw/zinc/49/64/96/924496496.db2.gz OYJYCMWGLVAIKG-NSHDSACASA-N 1 2 274.792 1.556 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H](C)COC)CC1 ZINC001195232972 924496500 /nfs/dbraw/zinc/49/65/00/924496500.db2.gz OYJYCMWGLVAIKG-NSHDSACASA-N 1 2 274.792 1.556 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)C(F)(F)F ZINC001114309234 924744889 /nfs/dbraw/zinc/74/48/89/924744889.db2.gz SMYLMDDTCIMDCJ-XFWSIPNHSA-N 1 2 280.265 1.509 20 30 CDEDLO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)C(F)(F)F ZINC001114309234 924744895 /nfs/dbraw/zinc/74/48/95/924744895.db2.gz SMYLMDDTCIMDCJ-XFWSIPNHSA-N 1 2 280.265 1.509 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)C(F)(F)F ZINC001114309234 924744900 /nfs/dbraw/zinc/74/49/00/924744900.db2.gz SMYLMDDTCIMDCJ-XFWSIPNHSA-N 1 2 280.265 1.509 20 30 CDEDLO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)C(F)(F)F ZINC001114309234 924744903 /nfs/dbraw/zinc/74/49/03/924744903.db2.gz SMYLMDDTCIMDCJ-XFWSIPNHSA-N 1 2 280.265 1.509 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cscc2C)[C@H](OC)C1 ZINC001081507360 924759308 /nfs/dbraw/zinc/75/93/08/924759308.db2.gz QSPKVGQDMMRNCQ-ZIAGYGMSSA-N 1 2 292.404 1.509 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cscc2C)[C@H](OC)C1 ZINC001081507360 924759316 /nfs/dbraw/zinc/75/93/16/924759316.db2.gz QSPKVGQDMMRNCQ-ZIAGYGMSSA-N 1 2 292.404 1.509 20 30 CDEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](CCF)CC1 ZINC001196853254 925002846 /nfs/dbraw/zinc/00/28/46/925002846.db2.gz JFADWDBHQYJJEI-OLZOCXBDSA-N 1 2 256.365 1.948 20 30 CDEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC001196853254 925002852 /nfs/dbraw/zinc/00/28/52/925002852.db2.gz JFADWDBHQYJJEI-OLZOCXBDSA-N 1 2 256.365 1.948 20 30 CDEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C)o3)[C@H]2C1 ZINC001082990631 925062885 /nfs/dbraw/zinc/06/28/85/925062885.db2.gz DLNUACFSKXWNLB-GXTWGEPZSA-N 1 2 276.336 1.299 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C)o3)[C@H]2C1 ZINC001082990631 925062894 /nfs/dbraw/zinc/06/28/94/925062894.db2.gz DLNUACFSKXWNLB-GXTWGEPZSA-N 1 2 276.336 1.299 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2Cl)[C@@H](O)C1 ZINC001083982162 925121712 /nfs/dbraw/zinc/12/17/12/925121712.db2.gz AUNSYSIZLFPMPU-KGLIPLIRSA-N 1 2 292.766 1.138 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2Cl)[C@@H](O)C1 ZINC001083982162 925121716 /nfs/dbraw/zinc/12/17/16/925121716.db2.gz AUNSYSIZLFPMPU-KGLIPLIRSA-N 1 2 292.766 1.138 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)CCCCCC)C1 ZINC001197804780 925223799 /nfs/dbraw/zinc/22/37/99/925223799.db2.gz IBBDBZWVSMKNFW-MGPQQGTHSA-N 1 2 284.375 1.089 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)CCCCCC)C1 ZINC001197804780 925223805 /nfs/dbraw/zinc/22/38/05/925223805.db2.gz IBBDBZWVSMKNFW-MGPQQGTHSA-N 1 2 284.375 1.089 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001197819786 925245833 /nfs/dbraw/zinc/24/58/33/925245833.db2.gz NHNYSFQGEQGECH-RRFJBIMHSA-N 1 2 296.386 1.089 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001197819786 925245838 /nfs/dbraw/zinc/24/58/38/925245838.db2.gz NHNYSFQGEQGECH-RRFJBIMHSA-N 1 2 296.386 1.089 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CCC)CC(C)C)C1 ZINC001199253679 925656360 /nfs/dbraw/zinc/65/63/60/925656360.db2.gz VWOUSNUAXDSUFE-RBSFLKMASA-N 1 2 280.412 1.243 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CCC)CC(C)C)C1 ZINC001199253679 925656368 /nfs/dbraw/zinc/65/63/68/925656368.db2.gz VWOUSNUAXDSUFE-RBSFLKMASA-N 1 2 280.412 1.243 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001108200160 925781691 /nfs/dbraw/zinc/78/16/91/925781691.db2.gz ZVGHPFJSDCKRGC-BFYDXBDKSA-N 1 2 292.423 1.653 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001108200160 925781695 /nfs/dbraw/zinc/78/16/95/925781695.db2.gz ZVGHPFJSDCKRGC-BFYDXBDKSA-N 1 2 292.423 1.653 20 30 CDEDLO C#CCC[N@@H+]1C[C@@H](CNC(=O)C(F)C(F)(F)F)[C@H](C)C1 ZINC001101988005 937034662 /nfs/dbraw/zinc/03/46/62/937034662.db2.gz OCBLXFNKIMETQW-GMTAPVOTSA-N 1 2 294.292 1.594 20 30 CDEDLO C#CCC[N@H+]1C[C@@H](CNC(=O)C(F)C(F)(F)F)[C@H](C)C1 ZINC001101988005 937034663 /nfs/dbraw/zinc/03/46/63/937034663.db2.gz OCBLXFNKIMETQW-GMTAPVOTSA-N 1 2 294.292 1.594 20 30 CDEDLO C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)[C@H](C)C1 ZINC001101988005 937034666 /nfs/dbraw/zinc/03/46/66/937034666.db2.gz OCBLXFNKIMETQW-GMTAPVOTSA-N 1 2 294.292 1.594 20 30 CDEDLO C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)[C@H](C)C1 ZINC001101988005 937034668 /nfs/dbraw/zinc/03/46/68/937034668.db2.gz OCBLXFNKIMETQW-GMTAPVOTSA-N 1 2 294.292 1.594 20 30 CDEDLO N#Cc1ccc(NC(=O)[C@H]2CC3CC[NH+]2CC3)c(C#N)c1 ZINC001142632570 937042979 /nfs/dbraw/zinc/04/29/79/937042979.db2.gz FKZZHIBYICTIII-OAHLLOKOSA-N 1 2 280.331 1.853 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N(C)C[C@@H]3CCN3CC#N)ccn12 ZINC001085596914 926199830 /nfs/dbraw/zinc/19/98/30/926199830.db2.gz LYCZKCHZZHZPHU-AWEZNQCLSA-N 1 2 297.362 1.313 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccnn1[C@H](C)CC ZINC001085623081 926223221 /nfs/dbraw/zinc/22/32/21/926223221.db2.gz KDXSPQICTWLWQZ-ZIAGYGMSSA-N 1 2 288.395 1.634 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccnn1[C@H](C)CC ZINC001085623081 926223229 /nfs/dbraw/zinc/22/32/29/926223229.db2.gz KDXSPQICTWLWQZ-ZIAGYGMSSA-N 1 2 288.395 1.634 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn(CC(C)C)n1 ZINC001085621596 926223514 /nfs/dbraw/zinc/22/35/14/926223514.db2.gz VLCWVXUWWMTJNU-AWEZNQCLSA-N 1 2 288.395 1.319 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn(CC(C)C)n1 ZINC001085621596 926223522 /nfs/dbraw/zinc/22/35/22/926223522.db2.gz VLCWVXUWWMTJNU-AWEZNQCLSA-N 1 2 288.395 1.319 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2ccncc2n1 ZINC001085727327 926327360 /nfs/dbraw/zinc/32/73/60/926327360.db2.gz UZZYTTMTCJLSEJ-AWEZNQCLSA-N 1 2 294.358 1.409 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2ccncc2n1 ZINC001085727327 926327370 /nfs/dbraw/zinc/32/73/70/926327370.db2.gz UZZYTTMTCJLSEJ-AWEZNQCLSA-N 1 2 294.358 1.409 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C2CC2)no1 ZINC001085852502 926451198 /nfs/dbraw/zinc/45/11/98/926451198.db2.gz YPGGMSHAALOFGQ-CYBMUJFWSA-N 1 2 287.363 1.722 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C2CC2)no1 ZINC001085852502 926451202 /nfs/dbraw/zinc/45/12/02/926451202.db2.gz YPGGMSHAALOFGQ-CYBMUJFWSA-N 1 2 287.363 1.722 20 30 CDEDLO C#CCN1CC[NH+](Cc2scc3c2OCCO3)CC1 ZINC001143192841 937132173 /nfs/dbraw/zinc/13/21/73/937132173.db2.gz SDTJYHQIRWRXGL-UHFFFAOYSA-N 1 2 278.377 1.270 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)COC)C1 ZINC001108312793 927385760 /nfs/dbraw/zinc/38/57/60/927385760.db2.gz QHPHECNAUQSTBR-UKRRQHHQSA-N 1 2 284.400 1.052 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)COC)C1 ZINC001108312793 927385769 /nfs/dbraw/zinc/38/57/69/927385769.db2.gz QHPHECNAUQSTBR-UKRRQHHQSA-N 1 2 284.400 1.052 20 30 CDEDLO N#CC1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168995806 927603292 /nfs/dbraw/zinc/60/32/92/927603292.db2.gz TUECVZJKEIEAQD-QWRGUYRKSA-N 1 2 253.302 1.094 20 30 CDEDLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)CNc1ccc(C#N)cn1 ZINC001104052529 937186427 /nfs/dbraw/zinc/18/64/27/937186427.db2.gz CKFSFCCELPFWAQ-LLVKDONJSA-N 1 2 298.350 1.083 20 30 CDEDLO C=CCOCc1cccc(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)c1 ZINC001169135932 927748350 /nfs/dbraw/zinc/74/83/50/927748350.db2.gz CBIXOUSVGLDNLS-CABCVRRESA-N 1 2 290.363 1.705 20 30 CDEDLO Cc1nc(NC[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)ccc1C#N ZINC001108485893 928050686 /nfs/dbraw/zinc/05/06/86/928050686.db2.gz RGPOGFCBVWDQJE-JTQLQIEISA-N 1 2 298.350 1.144 20 30 CDEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCCN(C(C)=O)C1 ZINC001169577897 928226821 /nfs/dbraw/zinc/22/68/21/928226821.db2.gz VWJUAVVACSOZMU-CABCVRRESA-N 1 2 296.411 1.731 20 30 CDEDLO Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C)C#N)C3)on1 ZINC001109077975 928784707 /nfs/dbraw/zinc/78/47/07/928784707.db2.gz BTSKZSVBYKZFPC-HYKPAMGXSA-N 1 2 288.351 1.364 20 30 CDEDLO Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C)C#N)C3)on1 ZINC001109077975 928784715 /nfs/dbraw/zinc/78/47/15/928784715.db2.gz BTSKZSVBYKZFPC-HYKPAMGXSA-N 1 2 288.351 1.364 20 30 CDEDLO CC#CCCCC(=O)N[C@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001109207859 928836956 /nfs/dbraw/zinc/83/69/56/928836956.db2.gz SNVCVUGFFZBRKM-CYBMUJFWSA-N 1 2 288.395 1.920 20 30 CDEDLO C=C[C@@](C)(O)CNc1ccc[nH+]c1N1CCOCC1 ZINC001252544391 929042329 /nfs/dbraw/zinc/04/23/29/929042329.db2.gz ZXESEWMXWGHEIN-CQSZACIVSA-N 1 2 263.341 1.267 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(Cl)o2)CC1 ZINC001112610506 929251925 /nfs/dbraw/zinc/25/19/25/929251925.db2.gz NVDUVGUJDNHDAY-UHFFFAOYSA-N 1 2 298.770 1.893 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](CCOCC=C)CC1 ZINC001112671741 929310908 /nfs/dbraw/zinc/31/09/08/929310908.db2.gz 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/nfs/dbraw/zinc/50/47/31/931504731.db2.gz NNEYDRSGXCAQPA-GFCCVEGCSA-N 1 2 276.361 1.864 20 30 CDEDLO C=CCC[C@H](O)C[NH+]1CC2(C1)CN([C@H](C)CC)C(=O)CO2 ZINC001274621831 931522492 /nfs/dbraw/zinc/52/24/92/931522492.db2.gz XYVRZFQCPPQTIT-KGLIPLIRSA-N 1 2 296.411 1.025 20 30 CDEDLO N#Cc1cnc(CNC(=O)c2cccc3[nH+]ccn32)s1 ZINC001154525729 937553699 /nfs/dbraw/zinc/55/36/99/937553699.db2.gz VJVOWLNVZUAYME-UHFFFAOYSA-N 1 2 283.316 1.592 20 30 CDEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@H+](Cc1cnon1)C2 ZINC001147640304 932564649 /nfs/dbraw/zinc/56/46/49/932564649.db2.gz UVJDXPKDPMMTHL-UHFFFAOYSA-N 1 2 290.367 1.460 20 30 CDEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@@H+](Cc1cnon1)C2 ZINC001147640304 932564656 /nfs/dbraw/zinc/56/46/56/932564656.db2.gz UVJDXPKDPMMTHL-UHFFFAOYSA-N 1 2 290.367 1.460 20 30 CDEDLO Cc1nc(N(C)CCCNC(=O)[C@@H](C)C#N)c(C)c(C)[nH+]1 ZINC001095507337 932663361 /nfs/dbraw/zinc/66/33/61/932663361.db2.gz OZNFZEUVOVWCFB-JTQLQIEISA-N 1 2 289.383 1.504 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)CCC)C1 ZINC001149013654 932821447 /nfs/dbraw/zinc/82/14/47/932821447.db2.gz JFPZZCFCPZUTFZ-LBPRGKRZSA-N 1 2 274.792 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)CCC)C1 ZINC001149013654 932821450 /nfs/dbraw/zinc/82/14/50/932821450.db2.gz JFPZZCFCPZUTFZ-LBPRGKRZSA-N 1 2 274.792 1.746 20 30 CDEDLO C=C(C)CN1CC2(C[NH+](C[C@@H]3CCC=CO3)C2)OCC1=O ZINC001273444081 932825536 /nfs/dbraw/zinc/82/55/36/932825536.db2.gz TYKASISUIIWQHF-AWEZNQCLSA-N 1 2 292.379 1.168 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2ncccc2C(F)(F)F)CCCN1O ZINC001119450529 937721198 /nfs/dbraw/zinc/72/11/98/937721198.db2.gz SFDUUZFXBQAKQV-SECBINFHSA-N 1 2 289.257 1.570 20 30 CDEDLO COCC#CC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001119683189 937747226 /nfs/dbraw/zinc/74/72/26/937747226.db2.gz HYULRSQQSOFVJH-OAHLLOKOSA-N 1 2 283.331 1.390 20 30 CDEDLO C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)Nc1ncccc1C#N ZINC001119977927 937770216 /nfs/dbraw/zinc/77/02/16/937770216.db2.gz CNTYAPGTHKKJQG-LLVKDONJSA-N 1 2 298.350 1.178 20 30 CDEDLO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001138856103 934900704 /nfs/dbraw/zinc/90/07/04/934900704.db2.gz YOQVAIWVQRNAIZ-LLVKDONJSA-N 1 2 276.340 1.712 20 30 CDEDLO CCOC(=O)c1n[nH]cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001138856103 934900707 /nfs/dbraw/zinc/90/07/07/934900707.db2.gz YOQVAIWVQRNAIZ-LLVKDONJSA-N 1 2 276.340 1.712 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ocnc1C(F)F)C2 ZINC001096021964 935883073 /nfs/dbraw/zinc/88/30/73/935883073.db2.gz BCHYSBZTNWDXTH-UTLUCORTSA-N 1 2 295.289 1.581 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ocnc1C(F)F)C2 ZINC001096021964 935883076 /nfs/dbraw/zinc/88/30/76/935883076.db2.gz BCHYSBZTNWDXTH-UTLUCORTSA-N 1 2 295.289 1.581 20 30 CDEDLO Cc1nc(N2CC[C@H](NC(=O)[C@@H](C)C#N)C2)c(C)c(C)[nH+]1 ZINC001096339358 936047135 /nfs/dbraw/zinc/04/71/35/936047135.db2.gz QZLKKTYVZCTWJM-ZANVPECISA-N 1 2 287.367 1.256 20 30 CDEDLO N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCF)[nH]1 ZINC001096972440 936244126 /nfs/dbraw/zinc/24/41/26/936244126.db2.gz ORWXQTVFNQULPK-RTXFEEFZSA-N 1 2 276.315 1.191 20 30 CDEDLO N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCF)[nH]1 ZINC001096972440 936244131 /nfs/dbraw/zinc/24/41/31/936244131.db2.gz ORWXQTVFNQULPK-RTXFEEFZSA-N 1 2 276.315 1.191 20 30 CDEDLO C=CCN(C)c1nnc(C[NH+]2CCC(CO)CC2)n1CC ZINC001121767647 937882399 /nfs/dbraw/zinc/88/23/99/937882399.db2.gz XQOCTFTZUYRAOB-UHFFFAOYSA-N 1 2 293.415 1.125 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122456446 937933431 /nfs/dbraw/zinc/93/34/31/937933431.db2.gz BPOSHWYEDLAFRV-SWLSCSKDSA-N 1 2 292.383 1.276 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@@H](F)c1ccnc(Cl)c1 ZINC001156320320 938351568 /nfs/dbraw/zinc/35/15/68/938351568.db2.gz XHCHRGATAUVNGL-GXSJLCMTSA-N 1 2 254.696 1.500 20 30 CDEDLO CC(C)C[C@@H](C#N)NC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156979664 938443162 /nfs/dbraw/zinc/44/31/62/938443162.db2.gz WXBPUIMCTHLOGL-JTQLQIEISA-N 1 2 271.324 1.813 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1ccc(C)c(C#N)n1 ZINC001157462660 938496517 /nfs/dbraw/zinc/49/65/17/938496517.db2.gz SMYHGXVKSGGVIO-UHFFFAOYSA-N 1 2 255.325 1.985 20 30 CDEDLO COc1ccnc(NCC2([NH+]3CCCC3)COC2)c1C#N ZINC001157654498 938527313 /nfs/dbraw/zinc/52/73/13/938527313.db2.gz CLRYBXQOJICWFL-UHFFFAOYSA-N 1 2 288.351 1.239 20 30 CDEDLO CSCc1cc[nH+]c(N[C@@H]2C(=O)N(O)C[C@@H]2C)c1 ZINC001160179366 938774004 /nfs/dbraw/zinc/77/40/04/938774004.db2.gz YUBGRQNQIWKYAA-KWQFWETISA-N 1 2 267.354 1.593 20 30 CDEDLO COc1cc(C#N)ccc1C(=O)NCCNc1cccc[nH+]1 ZINC001160488635 938790804 /nfs/dbraw/zinc/79/08/04/938790804.db2.gz VMZSHUFZKSSQQT-UHFFFAOYSA-N 1 2 296.330 1.804 20 30 CDEDLO Cc1cnc(N[C@H]2CCC[C@H]2[NH+]2CCOCC2)c(C#N)n1 ZINC001160727212 938820854 /nfs/dbraw/zinc/82/08/54/938820854.db2.gz XRHJBNCVLFUUSQ-GXTWGEPZSA-N 1 2 287.367 1.322 20 30 CDEDLO COc1cc[nH+]c(C(C)(C)CNc2nc(C)ncc2C#N)c1 ZINC001162130133 938957209 /nfs/dbraw/zinc/95/72/09/938957209.db2.gz YJLJNODRHKAXFH-UHFFFAOYSA-N 1 2 297.362 1.872 20 30 CDEDLO CO[C@@H]1CN(c2[nH+]ccc3[nH]cc(C#N)c32)C[C@@H]1OC ZINC001163998479 939377753 /nfs/dbraw/zinc/37/77/53/939377753.db2.gz AWFREVNIXLZKLA-TXEJJXNPSA-N 1 2 272.308 1.285 20 30 CDEDLO C[C@H]1CC[C@@H](CO)N1c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001164309889 939451192 /nfs/dbraw/zinc/45/11/92/939451192.db2.gz WJSOVCNKRCHAHH-ONGXEEELSA-N 1 2 256.309 1.784 20 30 CDEDLO C=CC(NCC(=O)N1CCc2ccccc21)=[NH+]COC ZINC001164590599 939497145 /nfs/dbraw/zinc/49/71/45/939497145.db2.gz FYVZZRBSCQIWCU-UHFFFAOYSA-N 1 2 273.336 1.354 20 30 CDEDLO CCOc1cc(Cl)nc(N2CC[NH2+]C[C@H]2C#N)c1 ZINC001164642672 939501522 /nfs/dbraw/zinc/50/15/22/939501522.db2.gz XXUIENLWFWACQI-SECBINFHSA-N 1 2 266.732 1.435 20 30 CDEDLO CC1(C)C(=O)NCCN1c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001166606329 939618618 /nfs/dbraw/zinc/61/86/18/939618618.db2.gz GAIQWKMABYMWIJ-UHFFFAOYSA-N 1 2 269.308 1.149 20 30 CDEDLO C[C@H]1C[NH+](C2CN(Cc3ccccc3C#N)C2)C[C@H](C)O1 ZINC001204374765 939761446 /nfs/dbraw/zinc/76/14/46/939761446.db2.gz GXMPNARDCRNLOW-KBPBESRZSA-N 1 2 285.391 1.852 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](OC)C2CC2)C1 ZINC001206926173 940113286 /nfs/dbraw/zinc/11/32/86/940113286.db2.gz ZJZYONBMMBCWFQ-WQAKAFBOSA-N 1 2 286.803 1.600 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](OC)C2CC2)C1 ZINC001206926173 940113287 /nfs/dbraw/zinc/11/32/87/940113287.db2.gz ZJZYONBMMBCWFQ-WQAKAFBOSA-N 1 2 286.803 1.600 20 30 CDEDLO C=CCCC(=O)N1CCC[C@@H]([NH2+]Cc2nc(CC)no2)C1 ZINC001207653506 940227102 /nfs/dbraw/zinc/22/71/02/940227102.db2.gz HZJAIDZNXUBUDW-GFCCVEGCSA-N 1 2 292.383 1.679 20 30 CDEDLO CC(C)(C)OC(=O)N1CCOC[C@H]1C[N@@H+]1CC[C@H](C#N)C1 ZINC001208982256 940417887 /nfs/dbraw/zinc/41/78/87/940417887.db2.gz PSZDKQLQJPLORW-CHWSQXEVSA-N 1 2 295.383 1.468 20 30 CDEDLO CC(C)(C)OC(=O)N1CCOC[C@H]1C[N@H+]1CC[C@H](C#N)C1 ZINC001208982256 940417890 /nfs/dbraw/zinc/41/78/90/940417890.db2.gz PSZDKQLQJPLORW-CHWSQXEVSA-N 1 2 295.383 1.468 20 30 CDEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2c[nH]nc2C)CC1 ZINC001209559302 940607253 /nfs/dbraw/zinc/60/72/53/940607253.db2.gz UCKZQQJJPVOZTM-UHFFFAOYSA-N 1 2 276.340 1.387 20 30 CDEDLO Cc1ccc(C[NH+]2CCN(c3nccnc3C#N)CC2)[nH]1 ZINC001209574574 940611500 /nfs/dbraw/zinc/61/15/00/940611500.db2.gz QSLKWFBNTVFECP-UHFFFAOYSA-N 1 2 282.351 1.307 20 30 CDEDLO CC(=O)N1CC[N@H+](C[C@@H](O)c2cccc(C#N)c2)[C@H](C)C1 ZINC001473221854 970771110 /nfs/dbraw/zinc/77/11/10/970771110.db2.gz DHVKASRDIIVTEL-MLGOLLRUSA-N 1 2 287.363 1.144 20 30 CDEDLO CC(=O)N1CC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)[C@H](C)C1 ZINC001473221854 970771116 /nfs/dbraw/zinc/77/11/16/970771116.db2.gz DHVKASRDIIVTEL-MLGOLLRUSA-N 1 2 287.363 1.144 20 30 CDEDLO C[C@@H]([NH3+])c1ncc(C(=O)Nc2nc[nH]c2C#N)s1 ZINC001218595401 941243330 /nfs/dbraw/zinc/24/33/30/941243330.db2.gz NCBLQOQKGNKQCD-RXMQYKEDSA-N 1 2 262.298 1.010 20 30 CDEDLO CCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001219103169 941308512 /nfs/dbraw/zinc/30/85/12/941308512.db2.gz SSCZCXMLLDUGQP-OLZOCXBDSA-N 1 2 293.392 1.081 20 30 CDEDLO CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001219103169 941308514 /nfs/dbraw/zinc/30/85/14/941308514.db2.gz SSCZCXMLLDUGQP-OLZOCXBDSA-N 1 2 293.392 1.081 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001219689942 941379611 /nfs/dbraw/zinc/37/96/11/941379611.db2.gz QCGWWEIYGIEWRK-GMOCCLDISA-N 1 2 298.814 1.669 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001219689942 941379612 /nfs/dbraw/zinc/37/96/12/941379612.db2.gz QCGWWEIYGIEWRK-GMOCCLDISA-N 1 2 298.814 1.669 20 30 CDEDLO C=CC(C)(C)C(=O)NCC1CC[NH+](Cc2cnon2)CC1 ZINC001224057830 941717996 /nfs/dbraw/zinc/71/79/96/941717996.db2.gz UXUIRVAPKXVDAY-UHFFFAOYSA-N 1 2 292.383 1.610 20 30 CDEDLO COc1ccc(C#N)cc1OC[C@H]1C[N@H+](C)CCO1 ZINC001225689892 941900091 /nfs/dbraw/zinc/90/00/91/941900091.db2.gz YAVRBVWGWILQIL-GFCCVEGCSA-N 1 2 262.309 1.276 20 30 CDEDLO COc1ccc(C#N)cc1OC[C@H]1C[N@@H+](C)CCO1 ZINC001225689892 941900097 /nfs/dbraw/zinc/90/00/97/941900097.db2.gz YAVRBVWGWILQIL-GFCCVEGCSA-N 1 2 262.309 1.276 20 30 CDEDLO COc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c(F)c1F ZINC001225956881 941933954 /nfs/dbraw/zinc/93/39/54/941933954.db2.gz JCGBCFJUOBEDEX-FCZBHUEXSA-N 1 2 297.301 1.965 20 30 CDEDLO COc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c(F)c1F ZINC001225956881 941933956 /nfs/dbraw/zinc/93/39/56/941933956.db2.gz JCGBCFJUOBEDEX-FCZBHUEXSA-N 1 2 297.301 1.965 20 30 CDEDLO C=CCCC(=O)NC1CC[NH+](Cc2nccn2CC)CC1 ZINC001226471736 942011488 /nfs/dbraw/zinc/01/14/88/942011488.db2.gz SJUKMYFFSGZQEH-UHFFFAOYSA-N 1 2 290.411 1.950 20 30 CDEDLO CC#CC[NH+]1CCC(NC(=O)C(F)C(F)(F)F)CC1 ZINC001227480735 942179935 /nfs/dbraw/zinc/17/99/35/942179935.db2.gz JZRYVWRBWPMHPT-SNVBAGLBSA-N 1 2 280.265 1.491 20 30 CDEDLO CC#CC[NH+]1CCC(NC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001227480735 942179939 /nfs/dbraw/zinc/17/99/39/942179939.db2.gz JZRYVWRBWPMHPT-SNVBAGLBSA-N 1 2 280.265 1.491 20 30 CDEDLO COc1cc2c(cc1O[C@@H]1CCN(CC#N)C1)C=[NH+]CC2 ZINC001228088933 942266721 /nfs/dbraw/zinc/26/67/21/942266721.db2.gz GOPPRNQDMRWMAT-CQSZACIVSA-N 1 2 285.347 1.647 20 30 CDEDLO Cc1c(O)cc(O)cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001228489174 942327453 /nfs/dbraw/zinc/32/74/53/942327453.db2.gz SLHWYNHZEDVOLW-RBRDRRMGSA-N 1 2 277.320 1.397 20 30 CDEDLO Cc1c(O)cc(O)cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001228489174 942327459 /nfs/dbraw/zinc/32/74/59/942327459.db2.gz SLHWYNHZEDVOLW-RBRDRRMGSA-N 1 2 277.320 1.397 20 30 CDEDLO CCOc1ccc(C[NH+]2CCN(CCC#N)CC2)cn1 ZINC001231654461 942961637 /nfs/dbraw/zinc/96/16/37/942961637.db2.gz PPHUHEHHZZEIAM-UHFFFAOYSA-N 1 2 274.368 1.512 20 30 CDEDLO C#Cc1cccc(C[NH+]2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC001231658898 942962348 /nfs/dbraw/zinc/96/23/48/942962348.db2.gz AXFDRQPXFGWZAK-SFHVURJKSA-N 1 2 284.403 1.965 20 30 CDEDLO C#Cc1cccc(C[N@H+]2CC[C@](O)(CF)[C@@H](F)C2)c1 ZINC001231657414 942963495 /nfs/dbraw/zinc/96/34/95/942963495.db2.gz KFPRGZRRJYCOIC-GJZGRUSLSA-N 1 2 265.303 1.912 20 30 CDEDLO C#Cc1cccc(C[N@@H+]2CC[C@](O)(CF)[C@@H](F)C2)c1 ZINC001231657414 942963498 /nfs/dbraw/zinc/96/34/98/942963498.db2.gz KFPRGZRRJYCOIC-GJZGRUSLSA-N 1 2 265.303 1.912 20 30 CDEDLO C[N@H+](CCC1OCCO1)Cc1cc(C#N)ccc1O ZINC001232678546 943360218 /nfs/dbraw/zinc/36/02/18/943360218.db2.gz IHSCEFDACKEJNR-UHFFFAOYSA-N 1 2 262.309 1.459 20 30 CDEDLO C[N@@H+](CCC1OCCO1)Cc1cc(C#N)ccc1O ZINC001232678546 943360227 /nfs/dbraw/zinc/36/02/27/943360227.db2.gz IHSCEFDACKEJNR-UHFFFAOYSA-N 1 2 262.309 1.459 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC(=O)N3CCC[C@@H]3C2)c1 ZINC001232681058 943362519 /nfs/dbraw/zinc/36/25/19/943362519.db2.gz KGWQJILRVSHHJP-CQSZACIVSA-N 1 2 285.347 1.461 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCC(=O)N3CCC[C@@H]3C2)c1 ZINC001232681058 943362526 /nfs/dbraw/zinc/36/25/26/943362526.db2.gz KGWQJILRVSHHJP-CQSZACIVSA-N 1 2 285.347 1.461 20 30 CDEDLO C#C[C@@H](C)N(C)c1nnc(Cc2[nH+]ccn2C)n1CC ZINC001263013300 943723283 /nfs/dbraw/zinc/72/32/83/943723283.db2.gz PSQJHOFPGWYDEF-LLVKDONJSA-N 1 2 272.356 1.080 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CC1 ZINC001234468442 943853101 /nfs/dbraw/zinc/85/31/01/943853101.db2.gz ZJKZNQQHFOOSQK-QWHCGFSZSA-N 1 2 293.411 1.010 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CC1 ZINC001234468442 943853104 /nfs/dbraw/zinc/85/31/04/943853104.db2.gz ZJKZNQQHFOOSQK-QWHCGFSZSA-N 1 2 293.411 1.010 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001263726965 943952524 /nfs/dbraw/zinc/95/25/24/943952524.db2.gz YUKOAAYGXPUSOL-ZIAGYGMSSA-N 1 2 282.432 1.276 20 30 CDEDLO COc1cc(C#N)cc(C)c1O[C@H](C)C[NH+]1CCOCC1 ZINC001234864285 943961723 /nfs/dbraw/zinc/96/17/23/943961723.db2.gz CURLPYDXFHSFFS-CYBMUJFWSA-N 1 2 290.363 1.975 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1ncc(C)cn1 ZINC001235451819 944160953 /nfs/dbraw/zinc/16/09/53/944160953.db2.gz QNFVUFAKTIMDJL-UHFFFAOYSA-N 1 2 276.384 1.689 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1ncc(C)cn1 ZINC001235451819 944160954 /nfs/dbraw/zinc/16/09/54/944160954.db2.gz QNFVUFAKTIMDJL-UHFFFAOYSA-N 1 2 276.384 1.689 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1nc(CC)no1 ZINC001235452315 944161636 /nfs/dbraw/zinc/16/16/36/944161636.db2.gz XWXLYYJKXXKKOJ-UHFFFAOYSA-N 1 2 280.372 1.536 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1nc(CC)no1 ZINC001235452315 944161639 /nfs/dbraw/zinc/16/16/39/944161639.db2.gz XWXLYYJKXXKKOJ-UHFFFAOYSA-N 1 2 280.372 1.536 20 30 CDEDLO CCCC[N@H+](CCC#N)C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O ZINC001235664879 944238513 /nfs/dbraw/zinc/23/85/13/944238513.db2.gz ZDVKADGPXAZAQD-CRWXNKLISA-N 1 2 298.383 1.239 20 30 CDEDLO CCCC[N@@H+](CCC#N)C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O ZINC001235664879 944238521 /nfs/dbraw/zinc/23/85/21/944238521.db2.gz ZDVKADGPXAZAQD-CRWXNKLISA-N 1 2 298.383 1.239 20 30 CDEDLO CCOC(=O)COc1cccc(C[N@@H+]2CC[C@@H](C#N)C2)c1 ZINC001237918500 945008156 /nfs/dbraw/zinc/00/81/56/945008156.db2.gz JYTRBRAAKLSOLW-AWEZNQCLSA-N 1 2 288.347 1.974 20 30 CDEDLO CCOC(=O)COc1cccc(C[N@H+]2CC[C@@H](C#N)C2)c1 ZINC001237918500 945008164 /nfs/dbraw/zinc/00/81/64/945008164.db2.gz JYTRBRAAKLSOLW-AWEZNQCLSA-N 1 2 288.347 1.974 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C1=COCCC1 ZINC001374472629 973971548 /nfs/dbraw/zinc/97/15/48/973971548.db2.gz VDUGUVIEIFFQSB-UHFFFAOYSA-N 1 2 272.776 1.823 20 30 CDEDLO COC(=O)c1cc(C#N)ccc1-c1ccc[nH+]c1N ZINC001243473047 947126493 /nfs/dbraw/zinc/12/64/93/947126493.db2.gz RGMPBXBTTFIORW-UHFFFAOYSA-N 1 2 253.261 1.989 20 30 CDEDLO C=C/C(=[NH+]\COC)c1ccnc(N2CCOCC2)c1 ZINC001243899729 947251466 /nfs/dbraw/zinc/25/14/66/947251466.db2.gz LLNRLJWTAXYKHP-DTQAZKPQSA-N 1 2 261.325 1.497 20 30 CDEDLO CCOCc1ncn2c1C[N@@H+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC001254666496 947580063 /nfs/dbraw/zinc/58/00/63/947580063.db2.gz VRTZGIDJJCGBPN-QWHCGFSZSA-N 1 2 274.368 1.927 20 30 CDEDLO CCOCc1ncn2c1C[N@H+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC001254666496 947580076 /nfs/dbraw/zinc/58/00/76/947580076.db2.gz VRTZGIDJJCGBPN-QWHCGFSZSA-N 1 2 274.368 1.927 20 30 CDEDLO COC(=O)c1cnc2c(c1)C[N@H+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC001254679846 947593752 /nfs/dbraw/zinc/59/37/52/947593752.db2.gz QBUPOIJCUOBARH-FZMZJTMJSA-N 1 2 285.347 1.919 20 30 CDEDLO COC(=O)c1cnc2c(c1)C[N@@H+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC001254679846 947593759 /nfs/dbraw/zinc/59/37/59/947593759.db2.gz QBUPOIJCUOBARH-FZMZJTMJSA-N 1 2 285.347 1.919 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@@H](Oc2nccnc2C)C1 ZINC001255176426 947765757 /nfs/dbraw/zinc/76/57/57/947765757.db2.gz BGSFCROVPMKIJL-QWHCGFSZSA-N 1 2 260.341 1.930 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CC[C@@H](Oc2nccnc2C)C1 ZINC001255176426 947765761 /nfs/dbraw/zinc/76/57/61/947765761.db2.gz BGSFCROVPMKIJL-QWHCGFSZSA-N 1 2 260.341 1.930 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@H](Oc2ncc(C)cn2)C1 ZINC001255177386 947768438 /nfs/dbraw/zinc/76/84/38/947768438.db2.gz QQVAMKUUNAOJEX-STQMWFEESA-N 1 2 260.341 1.930 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CC[C@H](Oc2ncc(C)cn2)C1 ZINC001255177386 947768442 /nfs/dbraw/zinc/76/84/42/947768442.db2.gz QQVAMKUUNAOJEX-STQMWFEESA-N 1 2 260.341 1.930 20 30 CDEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCn2cnc(CO)c2C1 ZINC001246716955 948418064 /nfs/dbraw/zinc/41/80/64/948418064.db2.gz WGBYSTRXPPARDW-CYBMUJFWSA-N 1 2 296.374 1.694 20 30 CDEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCn2cnc(CO)c2C1 ZINC001246716955 948418066 /nfs/dbraw/zinc/41/80/66/948418066.db2.gz WGBYSTRXPPARDW-CYBMUJFWSA-N 1 2 296.374 1.694 20 30 CDEDLO C=CCCCNC(=S)NC1CN(c2cccc[nH+]2)C1 ZINC001247789360 948777773 /nfs/dbraw/zinc/77/77/73/948777773.db2.gz YQNHZEHHARFADE-UHFFFAOYSA-N 1 2 276.409 1.701 20 30 CDEDLO C[C@@H]1C[NH+](Cc2cnn3ccc(C#N)cc23)C[C@@H](C)O1 ZINC001249082597 949375629 /nfs/dbraw/zinc/37/56/29/949375629.db2.gz ZKNULSHAAGRYHJ-VXGBXAGGSA-N 1 2 270.336 1.815 20 30 CDEDLO C=CCOC[C@H](O)CNc1c[nH+]ccc1OCC ZINC001252454629 951296285 /nfs/dbraw/zinc/29/62/85/951296285.db2.gz RKZUAHHPMRNJIW-LLVKDONJSA-N 1 2 252.314 1.456 20 30 CDEDLO C=C[C@@H](O)CN1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001253587885 951980429 /nfs/dbraw/zinc/98/04/29/951980429.db2.gz PWHXZZDJUHBSOC-NEPJUHHUSA-N 1 2 260.328 1.339 20 30 CDEDLO C=CC[NH+]1CCN(C[C@@H](O)COc2ccc(C)cc2)CC1 ZINC001253823451 952139838 /nfs/dbraw/zinc/13/98/38/952139838.db2.gz DLPRQEPLMIKQIB-MRXNPFEDSA-N 1 2 290.407 1.538 20 30 CDEDLO C#CC1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC001326753851 954527749 /nfs/dbraw/zinc/52/77/49/954527749.db2.gz YVRFCTALRIAVAH-HNNXBMFYSA-N 1 2 298.390 1.715 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC001364444106 954620874 /nfs/dbraw/zinc/62/08/74/954620874.db2.gz LSGDTWNESYDNAP-BDAKNGLRSA-N 1 2 287.323 1.487 20 30 CDEDLO O=C(CC#Cc1ccccc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001328697780 955420769 /nfs/dbraw/zinc/42/07/69/955420769.db2.gz NHRJXDHXSFIBHE-QGZVFWFLSA-N 1 2 298.386 1.361 20 30 CDEDLO CCOC(=O)c1cnn2cc(C[NH2+]CC3(C#N)CC3)cnc12 ZINC001364959105 955422826 /nfs/dbraw/zinc/42/28/26/955422826.db2.gz ASPQBYMMWJUFMA-UHFFFAOYSA-N 1 2 299.334 1.299 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cc1cccnc1 ZINC001492226003 955729549 /nfs/dbraw/zinc/72/95/49/955729549.db2.gz HKTBHNAOWSDQNA-UHFFFAOYSA-N 1 2 267.760 1.425 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cc1cccnc1 ZINC001492226003 955729559 /nfs/dbraw/zinc/72/95/59/955729559.db2.gz HKTBHNAOWSDQNA-UHFFFAOYSA-N 1 2 267.760 1.425 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1conc1C ZINC001422195726 955829779 /nfs/dbraw/zinc/82/97/79/955829779.db2.gz HUYCETGRQKIRQH-UHFFFAOYSA-N 1 2 271.748 1.739 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1conc1C ZINC001422195726 955829789 /nfs/dbraw/zinc/82/97/89/955829789.db2.gz HUYCETGRQKIRQH-UHFFFAOYSA-N 1 2 271.748 1.739 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC001365298816 955852957 /nfs/dbraw/zinc/85/29/57/955852957.db2.gz VKYOWYDTZAELFC-LBPRGKRZSA-N 1 2 273.336 1.921 20 30 CDEDLO C=CC[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C(=O)OCC ZINC001329658542 956050318 /nfs/dbraw/zinc/05/03/18/956050318.db2.gz GTPJGMNOZZQWGA-NEPJUHHUSA-N 1 2 279.340 1.458 20 30 CDEDLO C=CCC[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)C(=O)OCC ZINC001330804078 956640177 /nfs/dbraw/zinc/64/01/77/956640177.db2.gz IAFILVYEWASEPL-NWDGAFQWSA-N 1 2 279.340 1.458 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1c[nH]nc1C1CC1 ZINC001366578118 956989201 /nfs/dbraw/zinc/98/92/01/956989201.db2.gz FXDFIZSJGFFDFO-UHFFFAOYSA-N 1 2 282.775 1.701 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1c[nH]nc1C1CC1 ZINC001366578118 956989208 /nfs/dbraw/zinc/98/92/08/956989208.db2.gz FXDFIZSJGFFDFO-UHFFFAOYSA-N 1 2 282.775 1.701 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cn(CC)cn1 ZINC001367848075 958429241 /nfs/dbraw/zinc/42/92/41/958429241.db2.gz ICUKYOUXDRLCMO-NSHDSACASA-N 1 2 284.791 1.706 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cn(CC)cn1 ZINC001367848075 958429250 /nfs/dbraw/zinc/42/92/50/958429250.db2.gz ICUKYOUXDRLCMO-NSHDSACASA-N 1 2 284.791 1.706 20 30 CDEDLO C=CCCC[C@H]([NH3+])c1nc([C@H]2CCS(=O)(=O)C2)no1 ZINC001336299920 960294416 /nfs/dbraw/zinc/29/44/16/960294416.db2.gz LLIRFZBOSCODKR-UWVGGRQHSA-N 1 2 285.369 1.328 20 30 CDEDLO C=C[C@@H](O)C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001337327707 961117144 /nfs/dbraw/zinc/11/71/44/961117144.db2.gz DPGRVJWPACUIAI-CHWSQXEVSA-N 1 2 280.755 1.360 20 30 CDEDLO Cn1c[nH+]cc1C1CCN(C(=O)CSCC#N)CC1 ZINC001337768810 961412107 /nfs/dbraw/zinc/41/21/07/961412107.db2.gz ZLBWRZLBOPQBPG-UHFFFAOYSA-N 1 2 278.381 1.383 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cc1csc(C)n1 ZINC001420340197 962762826 /nfs/dbraw/zinc/76/28/26/962762826.db2.gz JWKFXZFFELQEBO-UHFFFAOYSA-N 1 2 287.816 1.795 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cc1csc(C)n1 ZINC001420340197 962762835 /nfs/dbraw/zinc/76/28/35/962762835.db2.gz JWKFXZFFELQEBO-UHFFFAOYSA-N 1 2 287.816 1.795 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccnnc1C ZINC001420595853 963106878 /nfs/dbraw/zinc/10/68/78/963106878.db2.gz MVKZDSZFINWDTB-SNVBAGLBSA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccnnc1C ZINC001420595853 963106887 /nfs/dbraw/zinc/10/68/87/963106887.db2.gz MVKZDSZFINWDTB-SNVBAGLBSA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](C)C(F)(F)F)C1 ZINC001438131346 963334519 /nfs/dbraw/zinc/33/45/19/963334519.db2.gz SLSIZCOUSSFPDQ-MRVPVSSYSA-N 1 2 284.709 1.985 20 30 CDEDLO C=C[C@@H](COC)NC(=O)NCCCCn1cc[nH+]c1 ZINC001342728536 963809900 /nfs/dbraw/zinc/80/99/00/963809900.db2.gz NRLVUGGPNDWAOF-LBPRGKRZSA-N 1 2 266.345 1.164 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@]1(C)CCCOC1 ZINC001442559967 965116170 /nfs/dbraw/zinc/11/61/70/965116170.db2.gz KSTZLFJDYNYDHN-ZDUSSCGKSA-N 1 2 274.792 1.604 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@]1(C)CCCOC1 ZINC001442559967 965116173 /nfs/dbraw/zinc/11/61/73/965116173.db2.gz KSTZLFJDYNYDHN-ZDUSSCGKSA-N 1 2 274.792 1.604 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(C(C)C)nn1C ZINC001442562225 965118725 /nfs/dbraw/zinc/11/87/25/965118725.db2.gz VWSNGQOBKHEKBO-UHFFFAOYSA-N 1 2 298.818 1.958 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(C(C)C)nn1C ZINC001442562225 965118728 /nfs/dbraw/zinc/11/87/28/965118728.db2.gz VWSNGQOBKHEKBO-UHFFFAOYSA-N 1 2 298.818 1.958 20 30 CDEDLO C=C[C@@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccccc1 ZINC001347022350 965334955 /nfs/dbraw/zinc/33/49/55/965334955.db2.gz YBOHRDMNPNKWTA-DZGCQCFKSA-N 1 2 267.332 1.894 20 30 CDEDLO COCC#CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC001347373190 965493599 /nfs/dbraw/zinc/49/35/99/965493599.db2.gz MESQELWQFIGMHM-UHFFFAOYSA-N 1 2 293.392 1.717 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)N1CCC(CC#N)CC1 ZINC001349413727 966342550 /nfs/dbraw/zinc/34/25/50/966342550.db2.gz KCPZDZFMLYXYDZ-UHFFFAOYSA-N 1 2 260.341 1.505 20 30 CDEDLO C[C@H]1CCC[C@](C#N)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001351220936 966888972 /nfs/dbraw/zinc/88/89/72/966888972.db2.gz CPWZFSFKRGHEAG-WFASDCNBSA-N 1 2 274.368 1.941 20 30 CDEDLO N#CC[C@H](C(=O)NCCn1cc[nH+]c1)c1ccccc1 ZINC001543797945 967320175 /nfs/dbraw/zinc/32/01/75/967320175.db2.gz NFCOZLGJSSUOKQ-AWEZNQCLSA-N 1 2 268.320 1.697 20 30 CDEDLO CC#CC[NH2+]C1CC(CNC(=O)c2cncc3nc[nH]c32)C1 ZINC001100345908 968077336 /nfs/dbraw/zinc/07/73/36/968077336.db2.gz GEHGLGFPKWZJOT-UHFFFAOYSA-N 1 2 297.362 1.079 20 30 CDEDLO CC[C@@H](C(=O)N(C)C1(C#N)CCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001361864818 970619351 /nfs/dbraw/zinc/61/93/51/970619351.db2.gz YXSVKGLTYPGBDY-KGLIPLIRSA-N 1 2 293.411 1.780 20 30 CDEDLO CC[C@@H](C(=O)N(C)C1(C#N)CCC1)[N@H+]1CCO[C@H](CC)C1 ZINC001361864818 970619355 /nfs/dbraw/zinc/61/93/55/970619355.db2.gz YXSVKGLTYPGBDY-KGLIPLIRSA-N 1 2 293.411 1.780 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)CCn1ccnn1)C1CC1 ZINC001372793416 973144428 /nfs/dbraw/zinc/14/44/28/973144428.db2.gz LPHQSLVHOCMRCE-UHFFFAOYSA-N 1 2 297.790 1.001 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)CCn1ccnn1)C1CC1 ZINC001372793416 973144435 /nfs/dbraw/zinc/14/44/35/973144435.db2.gz LPHQSLVHOCMRCE-UHFFFAOYSA-N 1 2 297.790 1.001 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@]2(C)CCCOC2)C1 ZINC001373545590 973488551 /nfs/dbraw/zinc/48/85/51/973488551.db2.gz FZQVTSXUSGTMGG-AWEZNQCLSA-N 1 2 286.803 1.604 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cn(C)nc1C ZINC001498250138 973779288 /nfs/dbraw/zinc/77/92/88/973779288.db2.gz RCSFNCWLMICAAK-SNVBAGLBSA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cn(C)nc1C ZINC001498250138 973779299 /nfs/dbraw/zinc/77/92/99/973779299.db2.gz RCSFNCWLMICAAK-SNVBAGLBSA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cncs1 ZINC001418532807 973939716 /nfs/dbraw/zinc/93/97/16/973939716.db2.gz FUKADFTUMUWRJP-UHFFFAOYSA-N 1 2 273.789 1.947 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cncs1 ZINC001418532807 973939729 /nfs/dbraw/zinc/93/97/29/973939729.db2.gz FUKADFTUMUWRJP-UHFFFAOYSA-N 1 2 273.789 1.947 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnc(C)[nH]1 ZINC001418542025 973949314 /nfs/dbraw/zinc/94/93/14/973949314.db2.gz SVUHZGLPJISMSF-UHFFFAOYSA-N 1 2 270.764 1.522 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnc(C)[nH]1 ZINC001418542025 973949323 /nfs/dbraw/zinc/94/93/23/973949323.db2.gz SVUHZGLPJISMSF-UHFFFAOYSA-N 1 2 270.764 1.522 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C1=COCCC1 ZINC001374472629 973971542 /nfs/dbraw/zinc/97/15/42/973971542.db2.gz VDUGUVIEIFFQSB-UHFFFAOYSA-N 1 2 272.776 1.823 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccn(C)c1)C1CC1 ZINC001377520849 975062519 /nfs/dbraw/zinc/06/25/19/975062519.db2.gz MEUFAJGVOCTNEB-UHFFFAOYSA-N 1 2 281.787 1.972 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccn(C)c1)C1CC1 ZINC001377520849 975062524 /nfs/dbraw/zinc/06/25/24/975062524.db2.gz MEUFAJGVOCTNEB-UHFFFAOYSA-N 1 2 281.787 1.972 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1csc(=O)[nH]1 ZINC001505983693 975071905 /nfs/dbraw/zinc/07/19/05/975071905.db2.gz GZLCOGCHTCZAQF-QMMMGPOBSA-N 1 2 289.788 1.651 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1csc(=O)[nH]1 ZINC001505983693 975071902 /nfs/dbraw/zinc/07/19/02/975071902.db2.gz GZLCOGCHTCZAQF-QMMMGPOBSA-N 1 2 289.788 1.651 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)COc1cccnc1 ZINC001506021263 975087827 /nfs/dbraw/zinc/08/78/27/975087827.db2.gz DTMVNWLYTYTICR-GFCCVEGCSA-N 1 2 297.786 1.649 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)COc1cccnc1 ZINC001506021263 975087831 /nfs/dbraw/zinc/08/78/31/975087831.db2.gz DTMVNWLYTYTICR-GFCCVEGCSA-N 1 2 297.786 1.649 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@H]1CCCO1 ZINC001406074595 976006590 /nfs/dbraw/zinc/00/65/90/976006590.db2.gz YYOBSMIORDYOBK-GFCCVEGCSA-N 1 2 274.792 1.698 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@H]1CCCO1 ZINC001406074595 976006605 /nfs/dbraw/zinc/00/66/05/976006605.db2.gz YYOBSMIORDYOBK-GFCCVEGCSA-N 1 2 274.792 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1cnn(CC)c1 ZINC001379865908 976105385 /nfs/dbraw/zinc/10/53/85/976105385.db2.gz NGVIADQBUZQQJA-LBPRGKRZSA-N 1 2 298.818 1.635 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1cnn(CC)c1 ZINC001379865908 976105392 /nfs/dbraw/zinc/10/53/92/976105392.db2.gz NGVIADQBUZQQJA-LBPRGKRZSA-N 1 2 298.818 1.635 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C[C@H]1CCOC1 ZINC001390975039 976630190 /nfs/dbraw/zinc/63/01/90/976630190.db2.gz LGERVWIMAZJGCI-GFCCVEGCSA-N 1 2 274.792 1.604 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C[C@H]1CCOC1 ZINC001390975039 976630197 /nfs/dbraw/zinc/63/01/97/976630197.db2.gz LGERVWIMAZJGCI-GFCCVEGCSA-N 1 2 274.792 1.604 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc(=O)[nH]c1)C1CC1 ZINC001404281319 977394497 /nfs/dbraw/zinc/39/44/97/977394497.db2.gz ALLJQIWAVQGTRO-UHFFFAOYSA-N 1 2 295.770 1.734 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc(=O)[nH]c1)C1CC1 ZINC001404281319 977394507 /nfs/dbraw/zinc/39/45/07/977394507.db2.gz ALLJQIWAVQGTRO-UHFFFAOYSA-N 1 2 295.770 1.734 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001132659751 1163427818 /nfs/dbraw/zinc/42/78/18/1163427818.db2.gz CLFOMPQOUCCEKQ-MNOVXSKESA-N 1 2 282.413 1.907 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccnnc1 ZINC001675003865 1174058060 /nfs/dbraw/zinc/05/80/60/1174058060.db2.gz RWIVQVUGOQLGEM-JTQLQIEISA-N 1 2 268.748 1.279 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccnnc1 ZINC001675003865 1174058065 /nfs/dbraw/zinc/05/80/65/1174058065.db2.gz RWIVQVUGOQLGEM-JTQLQIEISA-N 1 2 268.748 1.279 20 30 CDEDLO N#Cc1cccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000589253633 342501727 /nfs/dbraw/zinc/50/17/27/342501727.db2.gz ZSBIUNBJEREWAU-UHFFFAOYSA-N 1 2 293.330 1.311 20 30 CDEDLO Cc1nc(C)c(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)o1 ZINC000589252287 342501730 /nfs/dbraw/zinc/50/17/30/342501730.db2.gz XDAWAGUWEQAASC-UHFFFAOYSA-N 1 2 297.362 1.880 20 30 CDEDLO Cc1ccn2cc(CNC(=O)c3cccc(C#N)n3)[nH+]c2c1 ZINC000589330691 342504166 /nfs/dbraw/zinc/50/41/66/342504166.db2.gz WURWWWKEJBHQRQ-UHFFFAOYSA-N 1 2 291.314 1.839 20 30 CDEDLO N#CC1CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000590488498 342564723 /nfs/dbraw/zinc/56/47/23/342564723.db2.gz SXSKZNJZGKSXSO-UHFFFAOYSA-N 1 2 280.331 1.456 20 30 CDEDLO CCn1cc[nH+]c1CNS(=O)(=O)CC(C)(C)CC#N ZINC000601471245 342565661 /nfs/dbraw/zinc/56/56/61/342565661.db2.gz WOIBCOYIGZZBNX-UHFFFAOYSA-N 1 2 284.385 1.262 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)C[C@@H](C)O1 ZINC000565155155 365598582 /nfs/dbraw/zinc/59/85/82/365598582.db2.gz CWRMMCXBCKARII-RISCZKNCSA-N 1 2 261.325 1.189 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)C[C@@H](C)O1 ZINC000565155155 365598586 /nfs/dbraw/zinc/59/85/86/365598586.db2.gz CWRMMCXBCKARII-RISCZKNCSA-N 1 2 261.325 1.189 20 30 CDEDLO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1cn[nH]c1 ZINC000085825567 342048146 /nfs/dbraw/zinc/04/81/46/342048146.db2.gz BHYDFZKNUWRUBH-UHFFFAOYSA-N 1 2 275.337 1.413 20 30 CDEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1cn[nH]c1 ZINC000085825567 342048147 /nfs/dbraw/zinc/04/81/47/342048147.db2.gz BHYDFZKNUWRUBH-UHFFFAOYSA-N 1 2 275.337 1.413 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)cn1 ZINC000590754654 342587919 /nfs/dbraw/zinc/58/79/19/342587919.db2.gz MTPXIUPMEGHHDH-GFCCVEGCSA-N 1 2 290.367 1.222 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)cn1 ZINC000590754654 342587920 /nfs/dbraw/zinc/58/79/20/342587920.db2.gz MTPXIUPMEGHHDH-GFCCVEGCSA-N 1 2 290.367 1.222 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)nc1 ZINC000565281601 365620135 /nfs/dbraw/zinc/62/01/35/365620135.db2.gz CFIPWBWJBMEKOK-AWEZNQCLSA-N 1 2 270.336 1.196 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)nc1 ZINC000565281601 365620142 /nfs/dbraw/zinc/62/01/42/365620142.db2.gz CFIPWBWJBMEKOK-AWEZNQCLSA-N 1 2 270.336 1.196 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000591053701 342616165 /nfs/dbraw/zinc/61/61/65/342616165.db2.gz AKOBLXJIZOIRQA-OLZOCXBDSA-N 1 2 280.368 1.191 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000591053701 342616166 /nfs/dbraw/zinc/61/61/66/342616166.db2.gz AKOBLXJIZOIRQA-OLZOCXBDSA-N 1 2 280.368 1.191 20 30 CDEDLO Cc1cc(N[C@H]2CCc3nc(C)ncc3C2)c(C#N)c[nH+]1 ZINC000591818664 342647370 /nfs/dbraw/zinc/64/73/70/342647370.db2.gz VIPGIXWJRDEABR-AWEZNQCLSA-N 1 2 279.347 1.751 20 30 CDEDLO Cc1cccc(NC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)c1C ZINC000592146179 342673467 /nfs/dbraw/zinc/67/34/67/342673467.db2.gz FQQAGRVIDFHGOS-INIZCTEOSA-N 1 2 287.363 1.592 20 30 CDEDLO Cc1cccc(NC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)c1C ZINC000592146179 342673468 /nfs/dbraw/zinc/67/34/68/342673468.db2.gz FQQAGRVIDFHGOS-INIZCTEOSA-N 1 2 287.363 1.592 20 30 CDEDLO COC(=O)c1ccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)s1 ZINC000592150298 342668584 /nfs/dbraw/zinc/66/85/84/342668584.db2.gz DMWDZSUHVPYYKJ-ZDUSSCGKSA-N 1 2 280.349 1.385 20 30 CDEDLO COC(=O)c1ccc(C[N@H+]2CC[C@@](O)(CC#N)C2)s1 ZINC000592150298 342668585 /nfs/dbraw/zinc/66/85/85/342668585.db2.gz DMWDZSUHVPYYKJ-ZDUSSCGKSA-N 1 2 280.349 1.385 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000592150736 342668904 /nfs/dbraw/zinc/66/89/04/342668904.db2.gz ICHRZYJWGNVSKJ-ZBFHGGJFSA-N 1 2 285.347 1.142 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000592150736 342668905 /nfs/dbraw/zinc/66/89/05/342668905.db2.gz ICHRZYJWGNVSKJ-ZBFHGGJFSA-N 1 2 285.347 1.142 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccncc2Cl)C1 ZINC000592152412 342669325 /nfs/dbraw/zinc/66/93/25/342669325.db2.gz XKHBJWKSRBVPID-GFCCVEGCSA-N 1 2 251.717 1.585 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccncc2Cl)C1 ZINC000592152412 342669326 /nfs/dbraw/zinc/66/93/26/342669326.db2.gz XKHBJWKSRBVPID-GFCCVEGCSA-N 1 2 251.717 1.585 20 30 CDEDLO CC[C@@H]1COC(C)(C)C[N@@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC000593056888 342760275 /nfs/dbraw/zinc/76/02/75/342760275.db2.gz QKVOGQYLAHUETQ-UONOGXRCSA-N 1 2 295.427 1.884 20 30 CDEDLO CC[C@@H]1COC(C)(C)C[N@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC000593056888 342760277 /nfs/dbraw/zinc/76/02/77/342760277.db2.gz QKVOGQYLAHUETQ-UONOGXRCSA-N 1 2 295.427 1.884 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)[C@@H](C)CO1 ZINC000593064894 342761409 /nfs/dbraw/zinc/76/14/09/342761409.db2.gz WIQRPGQYQGCUBG-UONOGXRCSA-N 1 2 292.383 1.142 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@@H](C)CO1 ZINC000593064894 342761410 /nfs/dbraw/zinc/76/14/10/342761410.db2.gz WIQRPGQYQGCUBG-UONOGXRCSA-N 1 2 292.383 1.142 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CCCCS1 ZINC000593154854 342774241 /nfs/dbraw/zinc/77/42/41/342774241.db2.gz LTXFDHGMNUIZEF-JQWIXIFHSA-N 1 2 255.387 1.232 20 30 CDEDLO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H](C)O1 ZINC000329721247 361975065 /nfs/dbraw/zinc/97/50/65/361975065.db2.gz NANHJAJKMRUOPY-QJPTWQEYSA-N 1 2 292.383 1.680 20 30 CDEDLO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H](C)O1 ZINC000329721247 361975070 /nfs/dbraw/zinc/97/50/70/361975070.db2.gz NANHJAJKMRUOPY-QJPTWQEYSA-N 1 2 292.383 1.680 20 30 CDEDLO N#C[C@@H]1CCC[C@H]1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000332990628 539050716 /nfs/dbraw/zinc/05/07/16/539050716.db2.gz DTXPKDFTBGNPQT-SDDRHHMPSA-N 1 2 273.340 1.189 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(C#N)cc1F ZINC000594283380 342884733 /nfs/dbraw/zinc/88/47/33/342884733.db2.gz GWWZNHFSGHZDNK-JTQLQIEISA-N 1 2 286.310 1.915 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(C#N)cc1F ZINC000594283380 342884734 /nfs/dbraw/zinc/88/47/34/342884734.db2.gz GWWZNHFSGHZDNK-JTQLQIEISA-N 1 2 286.310 1.915 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3CC[C@@](O)(CC#N)C3)ccn12 ZINC000594373747 342892768 /nfs/dbraw/zinc/89/27/68/342892768.db2.gz FPXYYDWYQOIDRC-HNNXBMFYSA-N 1 2 284.319 1.133 20 30 CDEDLO N#Cc1ccc(C[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000594511935 342912647 /nfs/dbraw/zinc/91/26/47/342912647.db2.gz RUWIYQRNACYPMX-CYBMUJFWSA-N 1 2 283.335 1.818 20 30 CDEDLO CC(C)[N@@H+]1CCO[C@H](c2noc([C@H](C)CC#N)n2)C1 ZINC000594733901 342949774 /nfs/dbraw/zinc/94/97/74/342949774.db2.gz JSBFVZUMUKZYPV-MNOVXSKESA-N 1 2 264.329 1.868 20 30 CDEDLO CC(C)[N@H+]1CCO[C@H](c2noc([C@H](C)CC#N)n2)C1 ZINC000594733901 342949776 /nfs/dbraw/zinc/94/97/76/342949776.db2.gz JSBFVZUMUKZYPV-MNOVXSKESA-N 1 2 264.329 1.868 20 30 CDEDLO N#CCCC[N@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000595518546 343074725 /nfs/dbraw/zinc/07/47/25/343074725.db2.gz BHKAHFGMVLFHFJ-LBPRGKRZSA-N 1 2 256.371 1.191 20 30 CDEDLO N#CCCC[N@@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000595518546 343074726 /nfs/dbraw/zinc/07/47/26/343074726.db2.gz BHKAHFGMVLFHFJ-LBPRGKRZSA-N 1 2 256.371 1.191 20 30 CDEDLO Cc1nnc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)n1C ZINC000329759790 362044561 /nfs/dbraw/zinc/04/45/61/362044561.db2.gz PIIFNQOQULLVGC-SECBINFHSA-N 1 2 260.301 1.171 20 30 CDEDLO C=CCCC(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442853450 362095991 /nfs/dbraw/zinc/09/59/91/362095991.db2.gz ZTEKDJJGOXPLIB-MRXNPFEDSA-N 1 2 296.411 1.875 20 30 CDEDLO C[N@H+](CCOc1ccc(C#N)cc1)Cc1cnc[nH]1 ZINC000595596100 343114323 /nfs/dbraw/zinc/11/43/23/343114323.db2.gz JXQPZKFSBJYKJG-UHFFFAOYSA-N 1 2 256.309 1.792 20 30 CDEDLO C[N@@H+](CCOc1ccc(C#N)cc1)Cc1cnc[nH]1 ZINC000595596100 343114324 /nfs/dbraw/zinc/11/43/24/343114324.db2.gz JXQPZKFSBJYKJG-UHFFFAOYSA-N 1 2 256.309 1.792 20 30 CDEDLO C#CCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000029324997 362092102 /nfs/dbraw/zinc/09/21/02/362092102.db2.gz XOVRHXMFOMTUGD-UHFFFAOYSA-N 1 2 258.325 1.114 20 30 CDEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1COCCO1 ZINC000595745632 343151017 /nfs/dbraw/zinc/15/10/17/343151017.db2.gz YTYXUAVZHYGTKO-CQSZACIVSA-N 1 2 264.300 1.545 20 30 CDEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1COCCO1 ZINC000595745632 343151019 /nfs/dbraw/zinc/15/10/19/343151019.db2.gz YTYXUAVZHYGTKO-CQSZACIVSA-N 1 2 264.300 1.545 20 30 CDEDLO CN1CC[N@H+](Cc2cc(C#N)ccc2F)CCC1=O ZINC000595784380 343155360 /nfs/dbraw/zinc/15/53/60/343155360.db2.gz TVSKADRJTGHKBS-UHFFFAOYSA-N 1 2 261.300 1.361 20 30 CDEDLO CN1CC[N@@H+](Cc2cc(C#N)ccc2F)CCC1=O ZINC000595784380 343155361 /nfs/dbraw/zinc/15/53/61/343155361.db2.gz TVSKADRJTGHKBS-UHFFFAOYSA-N 1 2 261.300 1.361 20 30 CDEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCCn2cc[nH+]c2)c1 ZINC000080854645 342361547 /nfs/dbraw/zinc/36/15/47/342361547.db2.gz SRXIUACXLBLEJG-LSDHHAIUSA-N 1 2 280.331 1.675 20 30 CDEDLO CN(C)c1ccc(CNc2c(C#N)cnn2C)c[nH+]1 ZINC000596073030 343225462 /nfs/dbraw/zinc/22/54/62/343225462.db2.gz CORLEBKKISPJLJ-UHFFFAOYSA-N 1 2 256.313 1.365 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCOc3cc(F)ccc3C2)C1=O ZINC000626153322 342446395 /nfs/dbraw/zinc/44/63/95/342446395.db2.gz DKROBGLQUFIOJB-CQSZACIVSA-N 1 2 290.338 1.807 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCOc3cc(F)ccc3C2)C1=O ZINC000626153322 342446396 /nfs/dbraw/zinc/44/63/96/342446396.db2.gz DKROBGLQUFIOJB-CQSZACIVSA-N 1 2 290.338 1.807 20 30 CDEDLO Cc1cccn2cc(CNc3ccc(C#N)nn3)[nH+]c12 ZINC000091628551 342406291 /nfs/dbraw/zinc/40/62/91/342406291.db2.gz AIXANGHTUKQXKO-UHFFFAOYSA-N 1 2 264.292 1.917 20 30 CDEDLO C=CCN(CCC#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597683427 343596353 /nfs/dbraw/zinc/59/63/53/343596353.db2.gz FDFQMFIYZLCFMX-VXGBXAGGSA-N 1 2 258.325 1.452 20 30 CDEDLO CN(Cc1c[nH+]c[nH]1)C(=O)CCc1ccc(C#N)cc1 ZINC000597866574 343653491 /nfs/dbraw/zinc/65/34/91/343653491.db2.gz YYEQFJAPVRQWOE-UHFFFAOYSA-N 1 2 268.320 1.873 20 30 CDEDLO CN(Cc1c[nH]c[nH+]1)C(=O)CCc1ccc(C#N)cc1 ZINC000597866574 343653495 /nfs/dbraw/zinc/65/34/95/343653495.db2.gz YYEQFJAPVRQWOE-UHFFFAOYSA-N 1 2 268.320 1.873 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCOc1ccc(F)cc1 ZINC000619715873 349865831 /nfs/dbraw/zinc/86/58/31/349865831.db2.gz XNWGBXSOGWZLOI-CYBMUJFWSA-N 1 2 267.300 1.864 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCOc1ccc(F)cc1 ZINC000619715873 349865832 /nfs/dbraw/zinc/86/58/32/349865832.db2.gz XNWGBXSOGWZLOI-CYBMUJFWSA-N 1 2 267.300 1.864 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(C)(C)C(=O)OC)C1 ZINC000619720199 349870716 /nfs/dbraw/zinc/87/07/16/349870716.db2.gz OFXPKBUAMCYZPY-NEPJUHHUSA-N 1 2 283.368 1.625 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](C(C)(C)C(=O)OC)C1 ZINC000619720199 349870718 /nfs/dbraw/zinc/87/07/18/349870718.db2.gz OFXPKBUAMCYZPY-NEPJUHHUSA-N 1 2 283.368 1.625 20 30 CDEDLO C[C@@H](NC(=O)Cc1c(F)cccc1C#N)c1[nH+]ccn1C ZINC000598466348 343806892 /nfs/dbraw/zinc/80/68/92/343806892.db2.gz ZABAPCSDZPSHCM-SNVBAGLBSA-N 1 2 286.310 1.851 20 30 CDEDLO C[C@@H]1CCN(C(=O)NCC2(C#N)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000573543665 334945671 /nfs/dbraw/zinc/94/56/71/334945671.db2.gz XOSXLKLLASHPKT-OLZOCXBDSA-N 1 2 287.367 1.779 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1coc(-c2cccnc2)n1 ZINC000598837570 343914865 /nfs/dbraw/zinc/91/48/65/343914865.db2.gz WZRWKIOXVCBQGX-OAHLLOKOSA-N 1 2 299.334 1.310 20 30 CDEDLO N#Cc1cccc(F)c1CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598949252 343933229 /nfs/dbraw/zinc/93/32/29/343933229.db2.gz XFGNFUWRYPQGAN-LLVKDONJSA-N 1 2 284.294 1.177 20 30 CDEDLO Cc1c(C#N)c(NC[C@@H]2COCC[N@H+]2C)nc2ccccc12 ZINC000599161958 343971459 /nfs/dbraw/zinc/97/14/59/343971459.db2.gz YVMHQHSMTQOHTL-CYBMUJFWSA-N 1 2 296.374 1.579 20 30 CDEDLO Cc1c(C#N)c(NC[C@@H]2COCC[N@@H+]2C)nc2ccccc12 ZINC000599161958 343971461 /nfs/dbraw/zinc/97/14/61/343971461.db2.gz YVMHQHSMTQOHTL-CYBMUJFWSA-N 1 2 296.374 1.579 20 30 CDEDLO Cc1cccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)n1 ZINC000330298530 362273236 /nfs/dbraw/zinc/27/32/36/362273236.db2.gz HLGFYJQOOQYVGB-NSHDSACASA-N 1 2 256.309 1.906 20 30 CDEDLO Cc1cn2ccc(C(=O)N(CC#N)C3CC3)cc2[nH+]1 ZINC000602079582 344328212 /nfs/dbraw/zinc/32/82/12/344328212.db2.gz BTTXYUDNTYCFQV-UHFFFAOYSA-N 1 2 254.293 1.771 20 30 CDEDLO C[C@@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccco1 ZINC000602332031 344402261 /nfs/dbraw/zinc/40/22/61/344402261.db2.gz JDBISIWMLHMBJG-SMDDNHRTSA-N 1 2 263.341 1.733 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000602860392 344616240 /nfs/dbraw/zinc/61/62/40/344616240.db2.gz BJPCSCQPFNFUFI-GHMZBOCLSA-N 1 2 274.324 1.615 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000602861722 344617290 /nfs/dbraw/zinc/61/72/90/344617290.db2.gz HXFDQBYOYHGAIR-QWRGUYRKSA-N 1 2 263.316 1.722 20 30 CDEDLO Cc1cccc(OCCNC(=O)[C@H](C)[NH2+][C@H](C)CC#N)c1 ZINC000602863338 344625292 /nfs/dbraw/zinc/62/52/92/344625292.db2.gz OQGICIWOJLBAIU-KGLIPLIRSA-N 1 2 289.379 1.770 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000602870442 344641105 /nfs/dbraw/zinc/64/11/05/344641105.db2.gz TZCZBUBZTKZWDB-SNVBAGLBSA-N 1 2 288.307 1.376 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@@H](CC)C(=O)OC(C)(C)C)nn1 ZINC000603203442 344734781 /nfs/dbraw/zinc/73/47/81/344734781.db2.gz XEBZXKCZULVGLX-ZDUSSCGKSA-N 1 2 292.383 1.684 20 30 CDEDLO COC(=O)c1ccc(C[NH+]2CCN(CC#N)CC2)cc1F ZINC000151031295 345284520 /nfs/dbraw/zinc/28/45/20/345284520.db2.gz DMGTUDDZSJCAHY-UHFFFAOYSA-N 1 2 291.326 1.253 20 30 CDEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000618904174 345445265 /nfs/dbraw/zinc/44/52/65/345445265.db2.gz UQVOPDICBFYJGV-QWRGUYRKSA-N 1 2 281.381 1.207 20 30 CDEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000618904174 345445267 /nfs/dbraw/zinc/44/52/67/345445267.db2.gz UQVOPDICBFYJGV-QWRGUYRKSA-N 1 2 281.381 1.207 20 30 CDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](O)C2)c(C#N)c1C ZINC000073602080 345493171 /nfs/dbraw/zinc/49/31/71/345493171.db2.gz AQZTYSWLKCLBQO-JQWIXIFHSA-N 1 2 291.351 1.552 20 30 CDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](O)C2)c(C#N)c1C ZINC000073602080 345493174 /nfs/dbraw/zinc/49/31/74/345493174.db2.gz AQZTYSWLKCLBQO-JQWIXIFHSA-N 1 2 291.351 1.552 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1CCn2c[nH+]cc2C1)OCC ZINC000623306462 346025836 /nfs/dbraw/zinc/02/58/36/346025836.db2.gz OCNHMGUCRNFIAF-TZMCWYRMSA-N 1 2 277.368 1.685 20 30 CDEDLO Cc1cc(NC(=O)N2CCC[C@@](C)(C#N)C2)cc[nH+]1 ZINC000612320792 347113610 /nfs/dbraw/zinc/11/36/10/347113610.db2.gz DISNOTXIZILTQQ-AWEZNQCLSA-N 1 2 258.325 1.970 20 30 CDEDLO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CC(C)(C)C#N ZINC000612585324 347217175 /nfs/dbraw/zinc/21/71/75/347217175.db2.gz XHABJEJPRGGCOT-UHFFFAOYSA-N 1 2 291.399 1.205 20 30 CDEDLO C=CCCOCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613016619 347364038 /nfs/dbraw/zinc/36/40/38/347364038.db2.gz IDSIXWCJNVZSPS-VXGBXAGGSA-N 1 2 263.341 1.233 20 30 CDEDLO N#Cc1ccc([N+](=O)[O-])c(-n2c[nH+]c(CCCO)c2)c1 ZINC000613423213 347723101 /nfs/dbraw/zinc/72/31/01/347723101.db2.gz VROWUMPJSDAZBB-UHFFFAOYSA-N 1 2 272.264 1.577 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)CCCCC1 ZINC000054346875 347819865 /nfs/dbraw/zinc/81/98/65/347819865.db2.gz NGUHCIASBPBNBU-UONOGXRCSA-N 1 2 291.395 1.582 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCO[C@@H]3CCC[C@@H]32)CCCCC1 ZINC000054346875 347819867 /nfs/dbraw/zinc/81/98/67/347819867.db2.gz NGUHCIASBPBNBU-UONOGXRCSA-N 1 2 291.395 1.582 20 30 CDEDLO C=C[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)C(=O)OC ZINC000619702540 347919895 /nfs/dbraw/zinc/91/98/95/347919895.db2.gz HFUFUSVMEKWZKJ-NSHDSACASA-N 1 2 294.317 1.578 20 30 CDEDLO C=C[C@H]([NH2+]C1CCN(c2nccs2)CC1)C(=O)OC ZINC000619704668 348003861 /nfs/dbraw/zinc/00/38/61/348003861.db2.gz VWBWUHNDLVMYJC-NSHDSACASA-N 1 2 281.381 1.429 20 30 CDEDLO N#Cc1c(F)cccc1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000614616252 348174616 /nfs/dbraw/zinc/17/46/16/348174616.db2.gz GPGKBLDBGPQWGJ-UHFFFAOYSA-N 1 2 297.289 1.996 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(CC#N)CC1 ZINC000541966537 348269067 /nfs/dbraw/zinc/26/90/67/348269067.db2.gz KBSIEYJQFZYRGV-CYBMUJFWSA-N 1 2 294.399 1.042 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)NCC[NH+]2CCCCC2)s1 ZINC000230337620 140211160 /nfs/dbraw/zinc/21/11/60/140211160.db2.gz MRRNBIBVGOWKJP-UHFFFAOYSA-N 1 2 299.421 1.384 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1cc(F)cc(F)c1 ZINC000414146643 362922208 /nfs/dbraw/zinc/92/22/08/362922208.db2.gz QNGKGPIZEAUYBC-LBPRGKRZSA-N 1 2 270.279 1.550 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cc(F)cc(F)c1 ZINC000414146643 362922216 /nfs/dbraw/zinc/92/22/16/362922216.db2.gz QNGKGPIZEAUYBC-LBPRGKRZSA-N 1 2 270.279 1.550 20 30 CDEDLO N#C[C@]1(F)CCN(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000615592557 348604162 /nfs/dbraw/zinc/60/41/62/348604162.db2.gz RJFUMSHEPUVAMR-CQSZACIVSA-N 1 2 287.298 1.481 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCOc2ccccc2C1 ZINC000615778114 348718281 /nfs/dbraw/zinc/71/82/81/348718281.db2.gz QAIKHEZXZNNTOY-CYBMUJFWSA-N 1 2 299.374 1.832 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCOc2ccccc2C1 ZINC000615778114 348718286 /nfs/dbraw/zinc/71/82/86/348718286.db2.gz QAIKHEZXZNNTOY-CYBMUJFWSA-N 1 2 299.374 1.832 20 30 CDEDLO N#CCC[C@@H](C#N)Cn1c2ccccc2[nH+]c1NCCO ZINC000046437894 348791534 /nfs/dbraw/zinc/79/15/34/348791534.db2.gz AQKJLYBBDNEKLY-LBPRGKRZSA-N 1 2 283.335 1.884 20 30 CDEDLO CCN(CCOC)c1cccc(Cn2cc(C#N)nn2)[nH+]1 ZINC000603337368 350258572 /nfs/dbraw/zinc/25/85/72/350258572.db2.gz XQCGUEIESOTKEC-UHFFFAOYSA-N 1 2 286.339 1.066 20 30 CDEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCOC1 ZINC000106880840 186146429 /nfs/dbraw/zinc/14/64/29/186146429.db2.gz YMFOSXPKTZZQON-GFCCVEGCSA-N 1 2 293.754 1.871 20 30 CDEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCOC1 ZINC000106880840 186146430 /nfs/dbraw/zinc/14/64/30/186146430.db2.gz YMFOSXPKTZZQON-GFCCVEGCSA-N 1 2 293.754 1.871 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000333204992 362957862 /nfs/dbraw/zinc/95/78/62/362957862.db2.gz OKCHWGFILUCLNN-CJNGLKHVSA-N 1 2 291.395 1.297 20 30 CDEDLO N#CCN(C(=O)CCCn1cc[nH+]c1)C1CCCC1 ZINC000078207765 350788276 /nfs/dbraw/zinc/78/82/76/350788276.db2.gz IFIVRBASNHKBFR-UHFFFAOYSA-N 1 2 260.341 1.958 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)N1CCc2ccccc21 ZINC000068616760 351112127 /nfs/dbraw/zinc/11/21/27/351112127.db2.gz SVEDGTWGOKMKQP-NEPJUHHUSA-N 1 2 257.337 1.856 20 30 CDEDLO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000154135596 351270843 /nfs/dbraw/zinc/27/08/43/351270843.db2.gz FKIMTBMJYQDMRJ-LLVKDONJSA-N 1 2 299.421 1.133 20 30 CDEDLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000154135596 351270845 /nfs/dbraw/zinc/27/08/45/351270845.db2.gz FKIMTBMJYQDMRJ-LLVKDONJSA-N 1 2 299.421 1.133 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@H]1CCCc2scnc21 ZINC000623946178 351340150 /nfs/dbraw/zinc/34/01/50/351340150.db2.gz PPZXPOXEJWCNPY-VIFPVBQESA-N 1 2 251.355 1.412 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H]1CN(c2ccccc2)CCO1 ZINC000491452579 366062385 /nfs/dbraw/zinc/06/23/85/366062385.db2.gz LXRQEGZSBIISGS-DOTOQJQBSA-N 1 2 286.375 1.226 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H]1CN(c2ccccc2)CCO1 ZINC000491452579 366062390 /nfs/dbraw/zinc/06/23/90/366062390.db2.gz LXRQEGZSBIISGS-DOTOQJQBSA-N 1 2 286.375 1.226 20 30 CDEDLO Cc1nc(N(C)CCCn2cc[nH+]c2)ccc1C#N ZINC000291898891 198099257 /nfs/dbraw/zinc/09/92/57/198099257.db2.gz KBYZDCLFSKYXAE-UHFFFAOYSA-N 1 2 255.325 1.985 20 30 CDEDLO CCS(=O)(=O)NCC[N@H+](CCC#N)CC(C)(C)C ZINC000109813972 358474450 /nfs/dbraw/zinc/47/44/50/358474450.db2.gz DFUSXIADEMJJMR-UHFFFAOYSA-N 1 2 275.418 1.187 20 30 CDEDLO CCS(=O)(=O)NCC[N@@H+](CCC#N)CC(C)(C)C ZINC000109813972 358474454 /nfs/dbraw/zinc/47/44/54/358474454.db2.gz DFUSXIADEMJJMR-UHFFFAOYSA-N 1 2 275.418 1.187 20 30 CDEDLO C[C@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000156988447 188292407 /nfs/dbraw/zinc/29/24/07/188292407.db2.gz MGVOSGLDORIEEG-SMDDNHRTSA-N 1 2 278.327 1.669 20 30 CDEDLO C[C@H](O)C[C@@H]1COCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000156988447 188292409 /nfs/dbraw/zinc/29/24/09/188292409.db2.gz MGVOSGLDORIEEG-SMDDNHRTSA-N 1 2 278.327 1.669 20 30 CDEDLO CC(C)(C#N)CC[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000157660000 188330854 /nfs/dbraw/zinc/33/08/54/188330854.db2.gz VNZQTXXYGRZLBX-UHFFFAOYSA-N 1 2 275.352 1.977 20 30 CDEDLO N#Cc1cc2c(nc1N1CCn3c[nH+]cc3C1)CCC2 ZINC000290813251 283117015 /nfs/dbraw/zinc/11/70/15/283117015.db2.gz ZXHAFUBIIIQBLN-UHFFFAOYSA-N 1 2 265.320 1.659 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCC1CCCCC1 ZINC000583329752 355927941 /nfs/dbraw/zinc/92/79/41/355927941.db2.gz ANPSMHNXSCIUQE-CYBMUJFWSA-N 1 2 251.374 1.965 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCC1CCCCC1 ZINC000583329753 355928007 /nfs/dbraw/zinc/92/80/07/355928007.db2.gz ANPSMHNXSCIUQE-ZDUSSCGKSA-N 1 2 251.374 1.965 20 30 CDEDLO Cn1c(C#N)ccc1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000336304879 356135126 /nfs/dbraw/zinc/13/51/26/356135126.db2.gz PDQZLILNYOABPE-UHFFFAOYSA-N 1 2 269.308 1.682 20 30 CDEDLO C=CCCOCC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000144692072 356462964 /nfs/dbraw/zinc/46/29/64/356462964.db2.gz KFVMYJYBEGTPRT-UHFFFAOYSA-N 1 2 289.379 1.891 20 30 CDEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(F)(C#N)CC1)C1CC1 ZINC000352491215 363532113 /nfs/dbraw/zinc/53/21/13/363532113.db2.gz ONNQOXIHHNJYSA-CYBMUJFWSA-N 1 2 278.331 1.123 20 30 CDEDLO N#Cc1cccc(C[NH+]2CCN(c3ncc(F)cn3)CC2)c1 ZINC000273656803 283205612 /nfs/dbraw/zinc/20/56/12/283205612.db2.gz HMPUQKLZVMJYEG-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1CCOC1 ZINC000329785190 538649981 /nfs/dbraw/zinc/64/99/81/538649981.db2.gz PURSSMSYXVIKQX-NEPJUHHUSA-N 1 2 256.346 1.090 20 30 CDEDLO Cn1ncnc1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344064295 356876374 /nfs/dbraw/zinc/87/63/74/356876374.db2.gz DTHWQJVDIWWEBH-UHFFFAOYSA-N 1 2 285.351 1.335 20 30 CDEDLO Cn1ncnc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344064295 356876377 /nfs/dbraw/zinc/87/63/77/356876377.db2.gz DTHWQJVDIWWEBH-UHFFFAOYSA-N 1 2 285.351 1.335 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000299398285 357056476 /nfs/dbraw/zinc/05/64/76/357056476.db2.gz UQPVCJLKKKUKIZ-AWEZNQCLSA-N 1 2 286.350 1.441 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1OC ZINC000299248055 357001007 /nfs/dbraw/zinc/00/10/07/357001007.db2.gz KNIXYKYXUFJQQY-CABCVRRESA-N 1 2 298.386 1.829 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000070980559 357178753 /nfs/dbraw/zinc/17/87/53/357178753.db2.gz HPOMVZZIZTXZDW-VOTSOKGWSA-N 1 2 266.304 1.953 20 30 CDEDLO N#Cc1cccc(NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)c1 ZINC000188049485 357839297 /nfs/dbraw/zinc/83/92/97/357839297.db2.gz DEGZFPUABREDAK-INIZCTEOSA-N 1 2 299.374 1.998 20 30 CDEDLO N#Cc1cccc(NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)c1 ZINC000188049485 357839299 /nfs/dbraw/zinc/83/92/99/357839299.db2.gz DEGZFPUABREDAK-INIZCTEOSA-N 1 2 299.374 1.998 20 30 CDEDLO C#CCO[C@H](C)C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000294428954 199036686 /nfs/dbraw/zinc/03/66/86/199036686.db2.gz AIICCXVFMXSSJB-GFCCVEGCSA-N 1 2 271.320 1.297 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)o1 ZINC000335365640 357910699 /nfs/dbraw/zinc/91/06/99/357910699.db2.gz WFBFFIMNNQNIIZ-UHFFFAOYSA-N 1 2 270.292 1.894 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)o1 ZINC000335365640 357910704 /nfs/dbraw/zinc/91/07/04/357910704.db2.gz WFBFFIMNNQNIIZ-UHFFFAOYSA-N 1 2 270.292 1.894 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](CCOCC(F)F)CC2)nc1 ZINC000188865238 357946065 /nfs/dbraw/zinc/94/60/65/357946065.db2.gz KWQBWNMCJYJRKJ-UHFFFAOYSA-N 1 2 296.321 1.357 20 30 CDEDLO C#CCO[C@H](C)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000294617404 199109308 /nfs/dbraw/zinc/10/93/08/199109308.db2.gz NIGAYDHCMNHUNL-GFCCVEGCSA-N 1 2 271.320 1.297 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nncn1C ZINC000287007004 358078933 /nfs/dbraw/zinc/07/89/33/358078933.db2.gz QKXOVCSYRFQROV-LLVKDONJSA-N 1 2 255.325 1.880 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nncn1C ZINC000287007004 358078937 /nfs/dbraw/zinc/07/89/37/358078937.db2.gz QKXOVCSYRFQROV-LLVKDONJSA-N 1 2 255.325 1.880 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)s1 ZINC000337585555 358089910 /nfs/dbraw/zinc/08/99/10/358089910.db2.gz KRDXJQMORIYGPJ-CYBMUJFWSA-N 1 2 298.371 1.801 20 30 CDEDLO CC(=O)c1ccc(C#N)c(NCC[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000541579652 358329502 /nfs/dbraw/zinc/32/95/02/358329502.db2.gz YQDFBRWWNQUVTI-LBPRGKRZSA-N 1 2 287.363 1.893 20 30 CDEDLO CC(=O)c1ccc(C#N)c(NCC[N@H+]2CCO[C@@H](C)C2)c1 ZINC000541579652 358329506 /nfs/dbraw/zinc/32/95/06/358329506.db2.gz YQDFBRWWNQUVTI-LBPRGKRZSA-N 1 2 287.363 1.893 20 30 CDEDLO C[C@H]1C[NH+]=C(N2CCN(c3cc(C#N)ccn3)CC2)S1 ZINC000287499661 358665172 /nfs/dbraw/zinc/66/51/72/358665172.db2.gz YRANKCOJQJZCHE-NSHDSACASA-N 1 2 287.392 1.567 20 30 CDEDLO C[C@H](CS(C)(=O)=O)[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000264896282 358758428 /nfs/dbraw/zinc/75/84/28/358758428.db2.gz APAYVVPIAYDXHK-GFCCVEGCSA-N 1 2 292.404 1.956 20 30 CDEDLO C[C@H](CS(C)(=O)=O)[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000264896282 358758434 /nfs/dbraw/zinc/75/84/34/358758434.db2.gz APAYVVPIAYDXHK-GFCCVEGCSA-N 1 2 292.404 1.956 20 30 CDEDLO N#Cc1csc(C[N@@H+]2CC[C@H](c3nnc[nH]3)C2)n1 ZINC000567722744 358723226 /nfs/dbraw/zinc/72/32/26/358723226.db2.gz KVOHMCBVVAEPSB-QMMMGPOBSA-N 1 2 260.326 1.122 20 30 CDEDLO N#Cc1csc(C[N@H+]2CC[C@H](c3nnc[nH]3)C2)n1 ZINC000567722744 358723229 /nfs/dbraw/zinc/72/32/29/358723229.db2.gz KVOHMCBVVAEPSB-QMMMGPOBSA-N 1 2 260.326 1.122 20 30 CDEDLO C=CC[N@H+](C/C=C\c1ccncc1)[C@@H]1CCS(=O)(=O)C1 ZINC000495164179 366519029 /nfs/dbraw/zinc/51/90/29/366519029.db2.gz MZAWLHSPTDBSDY-ABCZVMIZSA-N 1 2 292.404 1.770 20 30 CDEDLO C=CC[N@@H+](C/C=C\c1ccncc1)[C@@H]1CCS(=O)(=O)C1 ZINC000495164179 366519030 /nfs/dbraw/zinc/51/90/30/366519030.db2.gz MZAWLHSPTDBSDY-ABCZVMIZSA-N 1 2 292.404 1.770 20 30 CDEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CC2(C#N)CC2)C1 ZINC000494609103 366507021 /nfs/dbraw/zinc/50/70/21/366507021.db2.gz XNOYMTQHNFHYAD-NSHDSACASA-N 1 2 265.357 1.889 20 30 CDEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CC2(C#N)CC2)C1 ZINC000494609103 366507028 /nfs/dbraw/zinc/50/70/28/366507028.db2.gz XNOYMTQHNFHYAD-NSHDSACASA-N 1 2 265.357 1.889 20 30 CDEDLO N#Cc1cccc(N2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000267202015 359016894 /nfs/dbraw/zinc/01/68/94/359016894.db2.gz JOHYZDWEYVJMJY-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000338174673 359094622 /nfs/dbraw/zinc/09/46/22/359094622.db2.gz DRBBPWYGTWXARE-UHFFFAOYSA-N 1 2 254.293 1.862 20 30 CDEDLO CC(C)[C@@H](NC(=O)c1ccc(C#N)nc1)c1[nH]cc[nH+]1 ZINC000338882641 359191942 /nfs/dbraw/zinc/19/19/42/359191942.db2.gz ZGWHEXMDRYXHDR-GFCCVEGCSA-N 1 2 269.308 1.803 20 30 CDEDLO COCC#CC[N@@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000643256514 359253493 /nfs/dbraw/zinc/25/34/93/359253493.db2.gz ROCOKGYBAQJDAS-OAHLLOKOSA-N 1 2 278.396 1.407 20 30 CDEDLO COCC#CC[N@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000643256514 359253499 /nfs/dbraw/zinc/25/34/99/359253499.db2.gz ROCOKGYBAQJDAS-OAHLLOKOSA-N 1 2 278.396 1.407 20 30 CDEDLO C=C1CC[NH+](C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000264476337 359310070 /nfs/dbraw/zinc/31/00/70/359310070.db2.gz OZTKWSVUZYDXBI-OAHLLOKOSA-N 1 2 295.404 1.776 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N[C@H](C)c1ccccc1OC ZINC000267674232 359353361 /nfs/dbraw/zinc/35/33/61/359353361.db2.gz PIUQVEYMBGRLII-CQSZACIVSA-N 1 2 284.359 1.441 20 30 CDEDLO CC#CCNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000270612141 359409512 /nfs/dbraw/zinc/40/95/12/359409512.db2.gz YJKOXRZSHKKTII-UHFFFAOYSA-N 1 2 282.347 1.754 20 30 CDEDLO C#CC[N@@H+](CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C)C1CC1 ZINC000274174067 359492704 /nfs/dbraw/zinc/49/27/04/359492704.db2.gz ODBRVTQIULKILS-OCCSQVGLSA-N 1 2 291.395 1.489 20 30 CDEDLO C#CC[N@H+](CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C)C1CC1 ZINC000274174067 359492707 /nfs/dbraw/zinc/49/27/07/359492707.db2.gz ODBRVTQIULKILS-OCCSQVGLSA-N 1 2 291.395 1.489 20 30 CDEDLO C=CC[NH+]1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000277035876 359556320 /nfs/dbraw/zinc/55/63/20/359556320.db2.gz BKLDMFDKBZULOP-UHFFFAOYSA-N 1 2 257.259 1.807 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000279634653 359590631 /nfs/dbraw/zinc/59/06/31/359590631.db2.gz ZNUWWVKBPIIYOJ-YNEHKIRRSA-N 1 2 263.341 1.369 20 30 CDEDLO C[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC000187380521 359935034 /nfs/dbraw/zinc/93/50/34/359935034.db2.gz CFUYXJQWPUDKLE-WFASDCNBSA-N 1 2 274.339 1.763 20 30 CDEDLO C[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC000187380521 359935038 /nfs/dbraw/zinc/93/50/38/359935038.db2.gz CFUYXJQWPUDKLE-WFASDCNBSA-N 1 2 274.339 1.763 20 30 CDEDLO N#Cc1ccc(NCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000094591565 360115792 /nfs/dbraw/zinc/11/57/92/360115792.db2.gz KPEDPOUVAFADFE-UHFFFAOYSA-N 1 2 276.296 1.211 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2nc(C)ncc2C1 ZINC000515121333 360440051 /nfs/dbraw/zinc/44/00/51/360440051.db2.gz AJFOGUKNTDFZAJ-UHFFFAOYSA-N 1 2 288.395 1.568 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2nc(C)ncc2C1 ZINC000515121333 360440055 /nfs/dbraw/zinc/44/00/55/360440055.db2.gz AJFOGUKNTDFZAJ-UHFFFAOYSA-N 1 2 288.395 1.568 20 30 CDEDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(C#N)o1 ZINC000451927779 360495001 /nfs/dbraw/zinc/49/50/01/360495001.db2.gz CAXBXFZBXPAPSL-LLVKDONJSA-N 1 2 297.380 1.256 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(C#N)o1 ZINC000451927779 360495004 /nfs/dbraw/zinc/49/50/04/360495004.db2.gz CAXBXFZBXPAPSL-LLVKDONJSA-N 1 2 297.380 1.256 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000299190054 200635588 /nfs/dbraw/zinc/63/55/88/200635588.db2.gz CWVSJFZECWQCRM-ZDUSSCGKSA-N 1 2 289.379 1.102 20 30 CDEDLO CC#CCCNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428965558 360733260 /nfs/dbraw/zinc/73/32/60/360733260.db2.gz TUWMMPRHLPWGCB-UHFFFAOYSA-N 1 2 274.368 1.774 20 30 CDEDLO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NCCC#N ZINC000571040084 360875926 /nfs/dbraw/zinc/87/59/26/360875926.db2.gz RMOBDZCJSLFBLO-HNNXBMFYSA-N 1 2 272.396 1.700 20 30 CDEDLO C[C@@H]1CC[C@@H](CCC(=O)N[C@@](C)(C#N)C[NH+](C)C)O1 ZINC000563220518 360882568 /nfs/dbraw/zinc/88/25/68/360882568.db2.gz PTSBDSNAUICZKB-DYEKYZERSA-N 1 2 267.373 1.294 20 30 CDEDLO CN(C)C(=O)O[C@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000496407621 366810299 /nfs/dbraw/zinc/81/02/99/366810299.db2.gz VIOSYEMHUJLKLH-OLZOCXBDSA-N 1 2 278.356 1.593 20 30 CDEDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000496407621 366810305 /nfs/dbraw/zinc/81/03/05/366810305.db2.gz VIOSYEMHUJLKLH-OLZOCXBDSA-N 1 2 278.356 1.593 20 30 CDEDLO CC(=O)c1cccc(C(=O)NC2(C#N)CC[NH+](C)CC2)c1 ZINC000532221579 361423113 /nfs/dbraw/zinc/42/31/13/361423113.db2.gz NNEBUEHKHUBWLH-UHFFFAOYSA-N 1 2 285.347 1.607 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@H](CO)c2cccc(F)c2)nn1 ZINC000653611584 412721214 /nfs/dbraw/zinc/72/12/14/412721214.db2.gz DQYMAKWNUGIHFU-OAHLLOKOSA-N 1 2 290.342 1.817 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](OC)C1 ZINC000246485719 291276940 /nfs/dbraw/zinc/27/69/40/291276940.db2.gz PABKGNIPLNXBMY-LSDHHAIUSA-N 1 2 288.347 1.883 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](OC)C1 ZINC000246485719 291276942 /nfs/dbraw/zinc/27/69/42/291276942.db2.gz PABKGNIPLNXBMY-LSDHHAIUSA-N 1 2 288.347 1.883 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N[C@@H](C)CCC)nn1 ZINC000640909124 364732907 /nfs/dbraw/zinc/73/29/07/364732907.db2.gz NRUQBHIEBDOORH-STQMWFEESA-N 1 2 291.399 1.257 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCCOCC(F)(F)F)nn1 ZINC000641059448 364913640 /nfs/dbraw/zinc/91/36/40/364913640.db2.gz QCTJJGMMTQORMJ-UHFFFAOYSA-N 1 2 290.289 1.360 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCCCC2CCOCC2)nn1 ZINC000641142519 365100785 /nfs/dbraw/zinc/10/07/85/365100785.db2.gz WOAPDGBKQIGELK-UHFFFAOYSA-N 1 2 290.411 1.988 20 30 CDEDLO C[N@H+](Cc1cc(C(N)=O)cs1)CC(C)(C)C#N ZINC000354012137 365399422 /nfs/dbraw/zinc/39/94/22/365399422.db2.gz XFZVDXKKJYPECJ-UHFFFAOYSA-N 1 2 251.355 1.829 20 30 CDEDLO C[N@@H+](Cc1cc(C(N)=O)cs1)CC(C)(C)C#N ZINC000354012137 365399424 /nfs/dbraw/zinc/39/94/24/365399424.db2.gz XFZVDXKKJYPECJ-UHFFFAOYSA-N 1 2 251.355 1.829 20 30 CDEDLO N#Cc1ccncc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000271252930 367002425 /nfs/dbraw/zinc/00/24/25/367002425.db2.gz JKRJVALGOSMDTJ-UHFFFAOYSA-N 1 2 295.346 1.797 20 30 CDEDLO C[C@H](C#N)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000357832507 367242440 /nfs/dbraw/zinc/24/24/40/367242440.db2.gz QGLVEPTXMGVLTJ-LLVKDONJSA-N 1 2 258.325 1.458 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)C1(C(=O)OCC)CCCCC1 ZINC000357954782 367330323 /nfs/dbraw/zinc/33/03/23/367330323.db2.gz DVFQYHZYUOHMAG-UHFFFAOYSA-N 1 2 282.384 1.486 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)C1(C(=O)OCC)CCCCC1 ZINC000357954782 367330330 /nfs/dbraw/zinc/33/03/30/367330330.db2.gz DVFQYHZYUOHMAG-UHFFFAOYSA-N 1 2 282.384 1.486 20 30 CDEDLO COC(=O)N1CC[NH+](Cc2ccc(OC)c(C#N)c2)CC1 ZINC000387369611 368131376 /nfs/dbraw/zinc/13/13/76/368131376.db2.gz WGUSOTAMLKNZJY-UHFFFAOYSA-N 1 2 289.335 1.451 20 30 CDEDLO C#CC[N@@H+](CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066538610 368354698 /nfs/dbraw/zinc/35/46/98/368354698.db2.gz XGVYFAGTCVEHFM-OAHLLOKOSA-N 1 2 277.389 1.351 20 30 CDEDLO C#CC[N@H+](CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066538610 368354699 /nfs/dbraw/zinc/35/46/99/368354699.db2.gz XGVYFAGTCVEHFM-OAHLLOKOSA-N 1 2 277.389 1.351 20 30 CDEDLO C=C(C)[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)c1ccc(F)c(F)c1 ZINC000360612689 368392120 /nfs/dbraw/zinc/39/21/20/368392120.db2.gz KYIULTCKZLIJKM-CYBMUJFWSA-N 1 2 294.305 1.794 20 30 CDEDLO CCOC(=O)[C@H]1CSCC[N@@H+]1CCC(C)(C)C#N ZINC000540665927 368550116 /nfs/dbraw/zinc/55/01/16/368550116.db2.gz WWCIBYMXJPHDQF-LLVKDONJSA-N 1 2 270.398 1.907 20 30 CDEDLO CCOC(=O)[C@H]1CSCC[N@H+]1CCC(C)(C)C#N ZINC000540665927 368550120 /nfs/dbraw/zinc/55/01/20/368550120.db2.gz WWCIBYMXJPHDQF-LLVKDONJSA-N 1 2 270.398 1.907 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1nnc(C)o1 ZINC000541684629 368662699 /nfs/dbraw/zinc/66/26/99/368662699.db2.gz DDQJVYVTIHYGQW-GHMZBOCLSA-N 1 2 278.356 1.618 20 30 CDEDLO C[C@H](C#N)CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000542876831 368845019 /nfs/dbraw/zinc/84/50/19/368845019.db2.gz IDAKFNCQYMEFHJ-OCCSQVGLSA-N 1 2 297.362 1.968 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nnc(C)o1 ZINC000542615447 368795913 /nfs/dbraw/zinc/79/59/13/368795913.db2.gz FJDNRYGQLZTFFH-WDEREUQCSA-N 1 2 280.372 1.842 20 30 CDEDLO CC#CCCNC(=O)NCCCCNc1cccc[nH+]1 ZINC000361649112 368962234 /nfs/dbraw/zinc/96/22/34/368962234.db2.gz XMONHJYGAGQYPP-UHFFFAOYSA-N 1 2 274.368 1.986 20 30 CDEDLO C=CC[N@@H+](CCOC)CC(=O)c1cc(C)[nH]c1C ZINC000362048773 369086119 /nfs/dbraw/zinc/08/61/19/369086119.db2.gz QHEWJSUNEMEVKM-UHFFFAOYSA-N 1 2 250.342 1.949 20 30 CDEDLO C=CC[N@H+](CCOC)CC(=O)c1cc(C)[nH]c1C ZINC000362048773 369086126 /nfs/dbraw/zinc/08/61/26/369086126.db2.gz QHEWJSUNEMEVKM-UHFFFAOYSA-N 1 2 250.342 1.949 20 30 CDEDLO Cc1nnc([C@H](C)[NH2+]CC(=O)NC2(C#N)CCCCC2)o1 ZINC000544512067 369060007 /nfs/dbraw/zinc/06/00/07/369060007.db2.gz LDRJHZRFURSTPG-JTQLQIEISA-N 1 2 291.355 1.371 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000072906183 369148493 /nfs/dbraw/zinc/14/84/93/369148493.db2.gz IFTFGLHHZBSGIM-LBPRGKRZSA-N 1 2 286.297 1.356 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000073599060 369183872 /nfs/dbraw/zinc/18/38/72/369183872.db2.gz ONGXSTQJZZDPJT-CYBMUJFWSA-N 1 2 253.390 1.047 20 30 CDEDLO C[C@H]1C[C@]1(C#N)C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000572540643 370213885 /nfs/dbraw/zinc/21/38/85/370213885.db2.gz HAWJPVHDVLELMD-IINYFYTJSA-N 1 2 285.338 1.629 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000490853443 261227150 /nfs/dbraw/zinc/22/71/50/261227150.db2.gz RFOFOSQXXMUOCE-UHFFFAOYSA-N 1 2 275.308 1.797 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000490853443 261227152 /nfs/dbraw/zinc/22/71/52/261227152.db2.gz RFOFOSQXXMUOCE-UHFFFAOYSA-N 1 2 275.308 1.797 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(C(C)(F)F)nc1 ZINC000565052481 370341170 /nfs/dbraw/zinc/34/11/70/370341170.db2.gz YYDOFIIXERZBOI-ZDUSSCGKSA-N 1 2 296.321 1.767 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000565484266 370456874 /nfs/dbraw/zinc/45/68/74/370456874.db2.gz LVQORJLPQKFSSH-SQWLQELKSA-N 1 2 289.354 1.889 20 30 CDEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000331713363 204097795 /nfs/dbraw/zinc/09/77/95/204097795.db2.gz GMMASDRAORJQDU-CZUORRHYSA-N 1 2 297.362 1.612 20 30 CDEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000331713363 204097797 /nfs/dbraw/zinc/09/77/97/204097797.db2.gz GMMASDRAORJQDU-CZUORRHYSA-N 1 2 297.362 1.612 20 30 CDEDLO CC(C)c1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nc1 ZINC000567995645 371194362 /nfs/dbraw/zinc/19/43/62/371194362.db2.gz QWCZMSQQYQVYJL-HNNXBMFYSA-N 1 2 274.368 1.779 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NC(=O)CC#N)c1ccc(F)cc1 ZINC000169812829 372092555 /nfs/dbraw/zinc/09/25/55/372092555.db2.gz KZFSZLDOKVNWFW-CYBMUJFWSA-N 1 2 272.283 1.678 20 30 CDEDLO COc1ccc([C@H](NC(=O)CC#N)c2[nH+]ccn2C)cc1 ZINC000169812880 372093147 /nfs/dbraw/zinc/09/31/47/372093147.db2.gz YDVPWROFSOTAJE-AWEZNQCLSA-N 1 2 284.319 1.548 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000180488271 372379997 /nfs/dbraw/zinc/37/99/97/372379997.db2.gz VZTJOHQHAPBHRE-KBPBESRZSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000180488322 372380638 /nfs/dbraw/zinc/38/06/38/372380638.db2.gz VZTJOHQHAPBHRE-ZIAGYGMSSA-N 1 2 283.416 1.751 20 30 CDEDLO CCN1CCN(CC2(C#N)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000578572148 372505893 /nfs/dbraw/zinc/50/58/93/372505893.db2.gz PJLJVYAEHLOAHS-LBPRGKRZSA-N 1 2 259.357 1.392 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC#N)Cc1cccnc1 ZINC000579000537 372550540 /nfs/dbraw/zinc/55/05/40/372550540.db2.gz DCPFSFWYTJNDGE-CYBMUJFWSA-N 1 2 297.362 1.926 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC#N)Cc1cccnc1 ZINC000579000537 372550548 /nfs/dbraw/zinc/55/05/48/372550548.db2.gz DCPFSFWYTJNDGE-CYBMUJFWSA-N 1 2 297.362 1.926 20 30 CDEDLO CC#CC[NH2+][C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000181783884 372582025 /nfs/dbraw/zinc/58/20/25/372582025.db2.gz QKZWPJVGSNASTD-ZDUSSCGKSA-N 1 2 251.351 1.385 20 30 CDEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC000185676778 372664726 /nfs/dbraw/zinc/66/47/26/372664726.db2.gz GQAYGJNKYFLRGU-BXUZGUMPSA-N 1 2 260.341 1.551 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000580995805 372776671 /nfs/dbraw/zinc/77/66/71/372776671.db2.gz OFLISVZQAIJRDC-YPMHNXCESA-N 1 2 299.334 1.126 20 30 CDEDLO CC#CCCNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000361640592 261363305 /nfs/dbraw/zinc/36/33/05/261363305.db2.gz VBYOUFFUFHSJSK-LBPRGKRZSA-N 1 2 260.341 1.712 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCN(CCC#N)CC1CC1 ZINC000191526460 373515551 /nfs/dbraw/zinc/51/55/51/373515551.db2.gz BMRXIHHHKNAGTH-CYBMUJFWSA-N 1 2 251.374 1.333 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCN(CCC#N)CC1CC1 ZINC000191526460 373515557 /nfs/dbraw/zinc/51/55/57/373515557.db2.gz BMRXIHHHKNAGTH-CYBMUJFWSA-N 1 2 251.374 1.333 20 30 CDEDLO Cc1ccc2[nH+]c(CNC(=O)c3cc(C#N)c[nH]3)cn2c1 ZINC000361121998 374034558 /nfs/dbraw/zinc/03/45/58/374034558.db2.gz XQZGUXLKRYKXGM-UHFFFAOYSA-N 1 2 279.303 1.773 20 30 CDEDLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1cccc(C#N)c1 ZINC000104062721 374174502 /nfs/dbraw/zinc/17/45/02/374174502.db2.gz BFHREHJDDIJTTA-AWEZNQCLSA-N 1 2 257.337 1.515 20 30 CDEDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000104062721 374174506 /nfs/dbraw/zinc/17/45/06/374174506.db2.gz BFHREHJDDIJTTA-AWEZNQCLSA-N 1 2 257.337 1.515 20 30 CDEDLO CN1CC[N@H+](C)[C@@H](CNc2ccc(Cl)cc2C#N)C1 ZINC000225348240 374243191 /nfs/dbraw/zinc/24/31/91/374243191.db2.gz PLKHBNDVVGYREK-ZDUSSCGKSA-N 1 2 278.787 1.869 20 30 CDEDLO CN1CC[N@@H+](C)[C@@H](CNc2ccc(Cl)cc2C#N)C1 ZINC000225348240 374243201 /nfs/dbraw/zinc/24/32/01/374243201.db2.gz PLKHBNDVVGYREK-ZDUSSCGKSA-N 1 2 278.787 1.869 20 30 CDEDLO C=C(C)C[N@@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000640159132 374515086 /nfs/dbraw/zinc/51/50/86/374515086.db2.gz CRADMKRSVUHADN-UHFFFAOYSA-N 1 2 266.366 1.268 20 30 CDEDLO C=C(C)C[N@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000640159132 374515092 /nfs/dbraw/zinc/51/50/92/374515092.db2.gz CRADMKRSVUHADN-UHFFFAOYSA-N 1 2 266.366 1.268 20 30 CDEDLO Cc1ccnc(N2CCC[C@@H]2C[NH+]2CCOCC2)c1C#N ZINC000275073881 374689405 /nfs/dbraw/zinc/68/94/05/374689405.db2.gz VTKOZRRKIWPCIG-CQSZACIVSA-N 1 2 286.379 1.563 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NCCCOC ZINC000042449509 374835666 /nfs/dbraw/zinc/83/56/66/374835666.db2.gz ZAEGLWNDTIHXSZ-NEPJUHHUSA-N 1 2 255.362 1.009 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NCCCOC ZINC000042449509 374835669 /nfs/dbraw/zinc/83/56/69/374835669.db2.gz ZAEGLWNDTIHXSZ-NEPJUHHUSA-N 1 2 255.362 1.009 20 30 CDEDLO Cc1cc(N[C@H](C)Cc2cnn(C)c2)c(C#N)c[nH+]1 ZINC000425266834 246745212 /nfs/dbraw/zinc/74/52/12/246745212.db2.gz JJTXUYUGWJHESL-LLVKDONJSA-N 1 2 255.325 1.460 20 30 CDEDLO CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H](C)C#N ZINC000049000587 375390280 /nfs/dbraw/zinc/39/02/80/375390280.db2.gz GDEBYZXETARKKW-ZDUSSCGKSA-N 1 2 275.356 1.124 20 30 CDEDLO CC[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H](C)C#N ZINC000049000587 375390284 /nfs/dbraw/zinc/39/02/84/375390284.db2.gz GDEBYZXETARKKW-ZDUSSCGKSA-N 1 2 275.356 1.124 20 30 CDEDLO CC#CCN(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000564063696 375685621 /nfs/dbraw/zinc/68/56/21/375685621.db2.gz HRAGDZUQAKWBAL-UHFFFAOYSA-N 1 2 255.321 1.667 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC000328645399 375905792 /nfs/dbraw/zinc/90/57/92/375905792.db2.gz GVYZHLLWDXOIAF-ZWNOBZJWSA-N 1 2 269.345 1.030 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC000328645399 375905793 /nfs/dbraw/zinc/90/57/93/375905793.db2.gz GVYZHLLWDXOIAF-ZWNOBZJWSA-N 1 2 269.345 1.030 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)nn1 ZINC000631234889 376028330 /nfs/dbraw/zinc/02/83/30/376028330.db2.gz SSXUIIUOPDNMLJ-WCBMZHEXSA-N 1 2 278.278 1.256 20 30 CDEDLO C[C@H]1C[N@H+](CCNc2nc3ccccn3c2C#N)CCO1 ZINC000543900699 376348220 /nfs/dbraw/zinc/34/82/20/376348220.db2.gz SQPQRVOMUUOFHM-LBPRGKRZSA-N 1 2 285.351 1.339 20 30 CDEDLO C[C@H]1C[N@@H+](CCNc2nc3ccccn3c2C#N)CCO1 ZINC000543900699 376348228 /nfs/dbraw/zinc/34/82/28/376348228.db2.gz SQPQRVOMUUOFHM-LBPRGKRZSA-N 1 2 285.351 1.339 20 30 CDEDLO Cc1cc(CNS(=O)(=O)CC2(C#N)CC2)cc(C)[nH+]1 ZINC000420698464 376381853 /nfs/dbraw/zinc/38/18/53/376381853.db2.gz LBMOFWPMGYGJBL-UHFFFAOYSA-N 1 2 279.365 1.422 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000421042079 376561699 /nfs/dbraw/zinc/56/16/99/376561699.db2.gz PIHAERJAMYKINT-CQSZACIVSA-N 1 2 293.411 1.059 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000421042079 376561703 /nfs/dbraw/zinc/56/17/03/376561703.db2.gz PIHAERJAMYKINT-CQSZACIVSA-N 1 2 293.411 1.059 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](C(=O)OC)CC[N@@H+]1CCCCC#N ZINC000248630722 377294244 /nfs/dbraw/zinc/29/42/44/377294244.db2.gz ZVOWWFSCRFHJAB-NWDGAFQWSA-N 1 2 282.340 1.107 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](C(=O)OC)CC[N@H+]1CCCCC#N ZINC000248630722 377294252 /nfs/dbraw/zinc/29/42/52/377294252.db2.gz ZVOWWFSCRFHJAB-NWDGAFQWSA-N 1 2 282.340 1.107 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000090010077 377734194 /nfs/dbraw/zinc/73/41/94/377734194.db2.gz VPOZZDLTVPHTFL-AWEZNQCLSA-N 1 2 264.369 1.298 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCOC[C@H]1C1CC1 ZINC000090010077 377734198 /nfs/dbraw/zinc/73/41/98/377734198.db2.gz VPOZZDLTVPHTFL-AWEZNQCLSA-N 1 2 264.369 1.298 20 30 CDEDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1ccc(F)cc1C#N)CC2 ZINC000172797720 377760341 /nfs/dbraw/zinc/76/03/41/377760341.db2.gz SYNSDWZDWUMKCL-UHFFFAOYSA-N 1 2 298.321 1.349 20 30 CDEDLO Cn1nc2c(cc1=O)C[N@H+](Cc1ccc(F)cc1C#N)CC2 ZINC000172797720 377760348 /nfs/dbraw/zinc/76/03/48/377760348.db2.gz SYNSDWZDWUMKCL-UHFFFAOYSA-N 1 2 298.321 1.349 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N2CCCCC2)C1=O ZINC000281395188 378002841 /nfs/dbraw/zinc/00/28/41/378002841.db2.gz QAQJGXLKBXYXHL-KBPBESRZSA-N 1 2 293.411 1.106 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N2CCCCC2)C1=O ZINC000281395188 378002846 /nfs/dbraw/zinc/00/28/46/378002846.db2.gz QAQJGXLKBXYXHL-KBPBESRZSA-N 1 2 293.411 1.106 20 30 CDEDLO C=C[C@@H](CO)Nc1[nH+]cnc2c1c(Br)nn2C ZINC000290942130 378421108 /nfs/dbraw/zinc/42/11/08/378421108.db2.gz BXKGJVOJIVBHSE-LURJTMIESA-N 1 2 298.144 1.085 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCc1ccc(COC)cc1 ZINC000293237055 378548134 /nfs/dbraw/zinc/54/81/34/378548134.db2.gz SMHWNLLNPKSUKB-UHFFFAOYSA-N 1 2 274.364 1.404 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCc1ccc(COC)cc1 ZINC000293237055 378548139 /nfs/dbraw/zinc/54/81/39/378548139.db2.gz SMHWNLLNPKSUKB-UHFFFAOYSA-N 1 2 274.364 1.404 20 30 CDEDLO C=C[C@H](C)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000343652141 378943219 /nfs/dbraw/zinc/94/32/19/378943219.db2.gz CZDNFQGHDIODFG-FRRDWIJNSA-N 1 2 259.353 1.845 20 30 CDEDLO C=C(C)CNC(=O)[C@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000343689004 378950586 /nfs/dbraw/zinc/95/05/86/378950586.db2.gz ZJFAEZDPJHLPDN-OLZOCXBDSA-N 1 2 259.353 1.846 20 30 CDEDLO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000278631763 194076976 /nfs/dbraw/zinc/07/69/76/194076976.db2.gz IHDBKDNWJKHQJJ-CYBMUJFWSA-N 1 2 282.365 1.550 20 30 CDEDLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000278631763 194076977 /nfs/dbraw/zinc/07/69/77/194076977.db2.gz IHDBKDNWJKHQJJ-CYBMUJFWSA-N 1 2 282.365 1.550 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000660144343 412955200 /nfs/dbraw/zinc/95/52/00/412955200.db2.gz UHENCKISHVTWAH-LBPRGKRZSA-N 1 2 262.357 1.431 20 30 CDEDLO COc1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000083219079 184601516 /nfs/dbraw/zinc/60/15/16/184601516.db2.gz JTEVOAASCSPQQH-LBPRGKRZSA-N 1 2 264.325 1.280 20 30 CDEDLO COc1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000083219079 184601517 /nfs/dbraw/zinc/60/15/17/184601517.db2.gz JTEVOAASCSPQQH-LBPRGKRZSA-N 1 2 264.325 1.280 20 30 CDEDLO C#C[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)C(C)C ZINC000281090131 195100328 /nfs/dbraw/zinc/10/03/28/195100328.db2.gz OZICQEJZXISJME-CYBMUJFWSA-N 1 2 270.336 1.791 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000682361049 483199941 /nfs/dbraw/zinc/19/99/41/483199941.db2.gz HFMSATFNPCSRAJ-HIFRSBDPSA-N 1 2 266.385 1.522 20 30 CDEDLO C#CCN(CC)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000268617844 533130009 /nfs/dbraw/zinc/13/00/09/533130009.db2.gz XNJWSEIGFVTGOC-UHFFFAOYSA-N 1 2 256.309 1.499 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC1 ZINC000269027003 533148108 /nfs/dbraw/zinc/14/81/08/533148108.db2.gz WAQKIDNMCZSZNV-CQSZACIVSA-N 1 2 286.379 1.249 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(F)cn2)C1=O ZINC000281449057 195244360 /nfs/dbraw/zinc/24/43/60/195244360.db2.gz UNFXMEHUOWYGNL-CYBMUJFWSA-N 1 2 263.316 1.439 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(F)cn2)C1=O ZINC000281449057 195244362 /nfs/dbraw/zinc/24/43/62/195244362.db2.gz UNFXMEHUOWYGNL-CYBMUJFWSA-N 1 2 263.316 1.439 20 30 CDEDLO 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ZINC000522275336 392876018 /nfs/dbraw/zinc/87/60/18/392876018.db2.gz QIGWSXVVKYQMDT-SNVBAGLBSA-N 1 2 281.306 1.969 20 30 CDEDLO Cc1cc(N2CCC[C@H](OCCO)C2)c(C#N)c[nH+]1 ZINC000425233184 392999202 /nfs/dbraw/zinc/99/92/02/392999202.db2.gz VTQYQTAXMQLSOX-ZDUSSCGKSA-N 1 2 261.325 1.239 20 30 CDEDLO CS(=O)(=O)[C@@H]1CC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000282029774 393168951 /nfs/dbraw/zinc/16/89/51/393168951.db2.gz FKKCIYHQMLVYTH-CQSZACIVSA-N 1 2 294.376 1.056 20 30 CDEDLO CS(=O)(=O)[C@@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000282029774 393168959 /nfs/dbraw/zinc/16/89/59/393168959.db2.gz FKKCIYHQMLVYTH-CQSZACIVSA-N 1 2 294.376 1.056 20 30 CDEDLO C=CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NC1CC1 ZINC000645992454 393455162 /nfs/dbraw/zinc/45/51/62/393455162.db2.gz OQJUCWBJJOETPI-HNNXBMFYSA-N 1 2 256.349 1.878 20 30 CDEDLO C=CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)NC1CC1 ZINC000645992454 393455169 /nfs/dbraw/zinc/45/51/69/393455169.db2.gz OQJUCWBJJOETPI-HNNXBMFYSA-N 1 2 256.349 1.878 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1occc1C(=O)OC ZINC000362050765 397668352 /nfs/dbraw/zinc/66/83/52/397668352.db2.gz SWECJKXGQQRUNS-UHFFFAOYSA-N 1 2 253.298 1.701 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1occc1C(=O)OC ZINC000362050765 397668356 /nfs/dbraw/zinc/66/83/56/397668356.db2.gz SWECJKXGQQRUNS-UHFFFAOYSA-N 1 2 253.298 1.701 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)c1c(F)cc(C#N)cc1F ZINC000314646573 149255161 /nfs/dbraw/zinc/25/51/61/149255161.db2.gz GSPLVJSEXUWWFQ-UHFFFAOYSA-N 1 2 290.273 1.842 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC[C@@](F)(CO)C2)c1F ZINC000335059085 150242304 /nfs/dbraw/zinc/24/23/04/150242304.db2.gz HVIBEJYOUIVWKW-ZDUSSCGKSA-N 1 2 252.264 1.604 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC[C@@](F)(CO)C2)c1F ZINC000335059085 150242305 /nfs/dbraw/zinc/24/23/05/150242305.db2.gz HVIBEJYOUIVWKW-ZDUSSCGKSA-N 1 2 252.264 1.604 20 30 CDEDLO CN(C)[C@@H](C(=O)N(C)CC(C)(C)C#N)c1c[nH+]cn1C ZINC000353289716 289269490 /nfs/dbraw/zinc/26/94/90/289269490.db2.gz OVLUTGUNZAJWGK-GFCCVEGCSA-N 1 2 277.372 1.031 20 30 CDEDLO N#Cc1cc(C(=O)NCc2cn3ccccc3[nH+]2)c[nH]1 ZINC000346682517 153270236 /nfs/dbraw/zinc/27/02/36/153270236.db2.gz CWPLCHNPKYINJI-UHFFFAOYSA-N 1 2 265.276 1.464 20 30 CDEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCc1c[nH+]cn1C ZINC000349780776 154214681 /nfs/dbraw/zinc/21/46/81/154214681.db2.gz DYBWMFMAXLSGNM-UHFFFAOYSA-N 1 2 290.348 1.079 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000375573971 160393153 /nfs/dbraw/zinc/39/31/53/160393153.db2.gz ZDAKLZBOGDFQHE-HNNXBMFYSA-N 1 2 289.310 1.772 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000375573971 160393155 /nfs/dbraw/zinc/39/31/55/160393155.db2.gz ZDAKLZBOGDFQHE-HNNXBMFYSA-N 1 2 289.310 1.772 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(Cl)c(C#N)n1 ZINC000359466330 158255602 /nfs/dbraw/zinc/25/56/02/158255602.db2.gz MBIOOGHMEVKDSR-VIFPVBQESA-N 1 2 261.716 1.726 20 30 CDEDLO CC[C@H]1C[N@H+](CCNc2ncccc2C#N)CCO1 ZINC000362667737 159208525 /nfs/dbraw/zinc/20/85/25/159208525.db2.gz RQCYGYXZIYMXPN-ZDUSSCGKSA-N 1 2 260.341 1.476 20 30 CDEDLO CC[C@H]1C[N@@H+](CCNc2ncccc2C#N)CCO1 ZINC000362667737 159208526 /nfs/dbraw/zinc/20/85/26/159208526.db2.gz RQCYGYXZIYMXPN-ZDUSSCGKSA-N 1 2 260.341 1.476 20 30 CDEDLO N#Cc1cccc(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000374051745 160248993 /nfs/dbraw/zinc/24/89/93/160248993.db2.gz OTFYUYXDMGQOQH-OAHLLOKOSA-N 1 2 294.358 1.676 20 30 CDEDLO COC[C@H](NC(=O)C1([NH+]2CCOCC2)CCC1)C1CC1 ZINC000329333104 292975060 /nfs/dbraw/zinc/97/50/60/292975060.db2.gz NFPUFFIMUVLWKC-ZDUSSCGKSA-N 1 2 282.384 1.623 20 30 CDEDLO C=C[C@H](O)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000665444531 414187634 /nfs/dbraw/zinc/18/76/34/414187634.db2.gz OCLKBDUVEQDJJN-AWEZNQCLSA-N 1 2 276.336 1.004 20 30 CDEDLO N#Cc1c(C[N@H+]2CCC[C@@H]2C(N)=O)cn2ccccc12 ZINC000078427882 177340690 /nfs/dbraw/zinc/34/06/90/177340690.db2.gz WWSQJDVWRUNMSU-CQSZACIVSA-N 1 2 268.320 1.261 20 30 CDEDLO N#Cc1c(C[N@@H+]2CCC[C@@H]2C(N)=O)cn2ccccc12 ZINC000078427882 177340691 /nfs/dbraw/zinc/34/06/91/177340691.db2.gz WWSQJDVWRUNMSU-CQSZACIVSA-N 1 2 268.320 1.261 20 30 CDEDLO C#CCN1C(=O)c2ccccc2N[C@@H]1c1c[nH]c[nH+]1 ZINC000078756626 177382223 /nfs/dbraw/zinc/38/22/23/177382223.db2.gz FXNCZVMGEYLOPX-ZDUSSCGKSA-N 1 2 252.277 1.609 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)NC[C@H](C)C#N ZINC000171838286 335081753 /nfs/dbraw/zinc/08/17/53/335081753.db2.gz ZORCWIQREMERQB-SNVBAGLBSA-N 1 2 256.309 1.621 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc2c(c1)COC2 ZINC000329103059 227298564 /nfs/dbraw/zinc/29/85/64/227298564.db2.gz NMZDUDZPEZFKOJ-LBPRGKRZSA-N 1 2 290.363 1.742 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc2c(c1)COC2 ZINC000329103059 227298569 /nfs/dbraw/zinc/29/85/69/227298569.db2.gz NMZDUDZPEZFKOJ-LBPRGKRZSA-N 1 2 290.363 1.742 20 30 CDEDLO C[C@]1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCCOC1 ZINC000329138040 227322265 /nfs/dbraw/zinc/32/22/65/227322265.db2.gz DMFDVVNJLBUYNA-RISCZKNCSA-N 1 2 263.341 1.971 20 30 CDEDLO C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)c1ncon1 ZINC000330002181 228013114 /nfs/dbraw/zinc/01/31/14/228013114.db2.gz AUOBADDMQWNQFU-JQWIXIFHSA-N 1 2 294.355 1.731 20 30 CDEDLO C[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)c1ncon1 ZINC000330002181 228013117 /nfs/dbraw/zinc/01/31/17/228013117.db2.gz AUOBADDMQWNQFU-JQWIXIFHSA-N 1 2 294.355 1.731 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1CCO[C@@H]1C1CC1 ZINC000330198222 228063767 /nfs/dbraw/zinc/06/37/67/228063767.db2.gz SYLCJMBKGDFDAB-YRGRVCCFSA-N 1 2 290.367 1.269 20 30 CDEDLO [O-]C(N[C@@H]1CCO[C@@H]1C1CC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330198222 228063771 /nfs/dbraw/zinc/06/37/71/228063771.db2.gz SYLCJMBKGDFDAB-YRGRVCCFSA-N 1 2 290.367 1.269 20 30 CDEDLO CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1(C#N)CCC1 ZINC000408134321 260276988 /nfs/dbraw/zinc/27/69/88/260276988.db2.gz SYDWGRNXAXDUCN-LLVKDONJSA-N 1 2 258.325 1.350 20 30 CDEDLO N#CC1(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCCC1 ZINC000152464884 261064380 /nfs/dbraw/zinc/06/43/80/261064380.db2.gz WSZUJBIHULCKCY-ZDUSSCGKSA-N 1 2 284.363 1.860 20 30 CDEDLO CNC(=O)C(C)(C)C/[NH+]=C/c1cc(OC)ccc1O ZINC000157188247 261142402 /nfs/dbraw/zinc/14/24/02/261142402.db2.gz NUNMYNMQIMTSRW-LZYBPNLTSA-N 1 2 264.325 1.592 20 30 CDEDLO N#Cc1cccc(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000020298988 262245690 /nfs/dbraw/zinc/24/56/90/262245690.db2.gz PAUUBMKYTXKRME-UHFFFAOYSA-N 1 2 254.293 1.575 20 30 CDEDLO C=CC1CC[NH+](Cc2noc(CCCC(=O)OC)n2)CC1 ZINC000111259359 262258730 /nfs/dbraw/zinc/25/87/30/262258730.db2.gz MKYXDZRRLQQKIU-UHFFFAOYSA-N 1 2 293.367 1.963 20 30 CDEDLO N#Cc1ccc(/C=C\C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000217006711 262274745 /nfs/dbraw/zinc/27/47/45/262274745.db2.gz CLCRUWHNDQYGCQ-WAYWQWQTSA-N 1 2 252.277 1.611 20 30 CDEDLO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCS1(=O)=O ZINC000329692638 262347003 /nfs/dbraw/zinc/34/70/03/262347003.db2.gz WQQLXCNUTYZVAZ-NEPJUHHUSA-N 1 2 288.413 1.395 20 30 CDEDLO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCS1(=O)=O ZINC000329692638 262347006 /nfs/dbraw/zinc/34/70/06/262347006.db2.gz WQQLXCNUTYZVAZ-NEPJUHHUSA-N 1 2 288.413 1.395 20 30 CDEDLO CN(C(=O)C[N@@H+]1CC[C@@](F)(CO)C1)C1(C#N)CCCCC1 ZINC000338623716 262551188 /nfs/dbraw/zinc/55/11/88/262551188.db2.gz CAXVTOONXNESFH-AWEZNQCLSA-N 1 2 297.374 1.078 20 30 CDEDLO CN(C(=O)C[N@H+]1CC[C@@](F)(CO)C1)C1(C#N)CCCCC1 ZINC000338623716 262551189 /nfs/dbraw/zinc/55/11/89/262551189.db2.gz CAXVTOONXNESFH-AWEZNQCLSA-N 1 2 297.374 1.078 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc([N+](=O)[O-])cc1F ZINC000414145093 262810053 /nfs/dbraw/zinc/81/00/53/262810053.db2.gz OZHYXTDDBOARIO-NSHDSACASA-N 1 2 297.286 1.319 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc([N+](=O)[O-])cc1F ZINC000414145093 262810054 /nfs/dbraw/zinc/81/00/54/262810054.db2.gz OZHYXTDDBOARIO-NSHDSACASA-N 1 2 297.286 1.319 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000267653333 262939963 /nfs/dbraw/zinc/93/99/63/262939963.db2.gz LMRHOAXGAONUMT-OAHLLOKOSA-N 1 2 292.310 1.676 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000267653333 262939965 /nfs/dbraw/zinc/93/99/65/262939965.db2.gz LMRHOAXGAONUMT-OAHLLOKOSA-N 1 2 292.310 1.676 20 30 CDEDLO N#C[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000269427739 262969380 /nfs/dbraw/zinc/96/93/80/262969380.db2.gz KODDSPVDGYMJHB-OAHLLOKOSA-N 1 2 268.320 1.597 20 30 CDEDLO C[C@H]1CCN(C(=O)NCCCC#N)C[C@H]1n1cc[nH+]c1 ZINC000273209529 263014004 /nfs/dbraw/zinc/01/40/04/263014004.db2.gz JPPBOFLIONGQFA-QWHCGFSZSA-N 1 2 275.356 1.779 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1nnc(C)s1 ZINC000273647831 263018867 /nfs/dbraw/zinc/01/88/67/263018867.db2.gz VQVOWOADMFAMII-UWVGGRQHSA-N 1 2 295.412 1.505 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N(CCC#N)Cc1ccco1 ZINC000279137556 263053281 /nfs/dbraw/zinc/05/32/81/263053281.db2.gz CQCBLHAWQOSZIJ-UHFFFAOYSA-N 1 2 272.308 1.796 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000340133025 263075161 /nfs/dbraw/zinc/07/51/61/263075161.db2.gz CVKRZGBTIKQNRO-KGLIPLIRSA-N 1 2 257.337 1.679 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000340133025 263075162 /nfs/dbraw/zinc/07/51/62/263075162.db2.gz CVKRZGBTIKQNRO-KGLIPLIRSA-N 1 2 257.337 1.679 20 30 CDEDLO C[N@H+](CCC(C)(C)C#N)Cc1ccccc1S(N)(=O)=O ZINC000292737288 263134440 /nfs/dbraw/zinc/13/44/40/263134440.db2.gz NAADNBUERLFCPB-UHFFFAOYSA-N 1 2 295.408 1.706 20 30 CDEDLO C[N@@H+](CCC(C)(C)C#N)Cc1ccccc1S(N)(=O)=O ZINC000292737288 263134441 /nfs/dbraw/zinc/13/44/41/263134441.db2.gz NAADNBUERLFCPB-UHFFFAOYSA-N 1 2 295.408 1.706 20 30 CDEDLO N#CCCCC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000292723830 263134631 /nfs/dbraw/zinc/13/46/31/263134631.db2.gz UDRVJYFZKKKOKI-UHFFFAOYSA-N 1 2 272.352 1.992 20 30 CDEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(C(=O)c3ccccn3)CC2)C1 ZINC000292772503 263134915 /nfs/dbraw/zinc/13/49/15/263134915.db2.gz JUHZZDKBTCKGKN-KBPBESRZSA-N 1 2 284.363 1.532 20 30 CDEDLO C[C@H](C(=O)NCc1ccccc1F)[N@@H+](C)C[C@H](C)C#N ZINC000299171516 263233213 /nfs/dbraw/zinc/23/32/13/263233213.db2.gz SDBCSJSJJOXDRE-VXGBXAGGSA-N 1 2 277.343 1.922 20 30 CDEDLO C[C@H](C(=O)NCc1ccccc1F)[N@H+](C)C[C@H](C)C#N ZINC000299171516 263233214 /nfs/dbraw/zinc/23/32/14/263233214.db2.gz SDBCSJSJJOXDRE-VXGBXAGGSA-N 1 2 277.343 1.922 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)COc1ccc(F)cc1 ZINC000299174253 263233414 /nfs/dbraw/zinc/23/34/14/263233414.db2.gz VKDZRMRGOZQYBE-WCQYABFASA-N 1 2 266.316 1.657 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)COc1ccc(F)cc1 ZINC000299174253 263233418 /nfs/dbraw/zinc/23/34/18/263233418.db2.gz VKDZRMRGOZQYBE-WCQYABFASA-N 1 2 266.316 1.657 20 30 CDEDLO CC(=O)NC1CCC(/[NH+]=C/c2cccc(O)c2O)CC1 ZINC000299661142 263251259 /nfs/dbraw/zinc/25/12/59/263251259.db2.gz QKDRKAYYIVZZES-CXUHLZMHSA-N 1 2 276.336 1.964 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000120461548 263283989 /nfs/dbraw/zinc/28/39/89/263283989.db2.gz ACJZIZSULVBTNN-CHWSQXEVSA-N 1 2 289.383 1.397 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000120461548 263283990 /nfs/dbraw/zinc/28/39/90/263283990.db2.gz ACJZIZSULVBTNN-CHWSQXEVSA-N 1 2 289.383 1.397 20 30 CDEDLO CCCC[C@H](C(=O)OC)[NH+]1CCC(C#N)(COC)CC1 ZINC000341982247 263369644 /nfs/dbraw/zinc/36/96/44/263369644.db2.gz DKUCRJNYVMQNSI-CYBMUJFWSA-N 1 2 282.384 1.970 20 30 CDEDLO CCc1nnc([C@H](C)[NH+]2CCC(C#N)(COC)CC2)o1 ZINC000341993507 263383293 /nfs/dbraw/zinc/38/32/93/263383293.db2.gz QWOUQISGFOGDBA-NSHDSACASA-N 1 2 278.356 1.945 20 30 CDEDLO C=CCOc1cccnc1C(=O)NCc1[nH]cc[nH+]1 ZINC000342089892 263391413 /nfs/dbraw/zinc/39/14/13/263391413.db2.gz CJMNBBLCOSOGBC-UHFFFAOYSA-N 1 2 258.281 1.300 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000123804570 263816245 /nfs/dbraw/zinc/81/62/45/263816245.db2.gz DQSZAFQQPNBITQ-XJFOESAGSA-N 1 2 281.400 1.539 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000123804570 263816247 /nfs/dbraw/zinc/81/62/47/263816247.db2.gz DQSZAFQQPNBITQ-XJFOESAGSA-N 1 2 281.400 1.539 20 30 CDEDLO CCn1nccc1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000330702583 264017522 /nfs/dbraw/zinc/01/75/22/264017522.db2.gz ZWKZLUFJBQTCQR-UHFFFAOYSA-N 1 2 295.387 1.340 20 30 CDEDLO C[C@H](C#N)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000330957098 264088508 /nfs/dbraw/zinc/08/85/08/264088508.db2.gz KKIXIFFCIFHYAK-GFCCVEGCSA-N 1 2 273.336 1.735 20 30 CDEDLO C=C[C@H](C)NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000330933722 264097389 /nfs/dbraw/zinc/09/73/89/264097389.db2.gz FGMILLFKWNFINK-GXTWGEPZSA-N 1 2 299.440 1.272 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)c1cn(C(C)(C)C)nn1 ZINC000331097234 264121311 /nfs/dbraw/zinc/12/13/11/264121311.db2.gz MNOUWEUWQYVCOP-UHFFFAOYSA-N 1 2 262.317 1.271 20 30 CDEDLO Cc1ccc(NC(=O)NC[C@H]2CCS(=O)(=O)C2)c(C)[nH+]1 ZINC000331280988 264170939 /nfs/dbraw/zinc/17/09/39/264170939.db2.gz CEBAEVUEOCSCPO-LLVKDONJSA-N 1 2 297.380 1.459 20 30 CDEDLO Cc1cccc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)c1O ZINC000331248613 264180453 /nfs/dbraw/zinc/18/04/53/264180453.db2.gz XDROQJOCCRGLRG-LBPRGKRZSA-N 1 2 278.352 1.726 20 30 CDEDLO Cc1cccc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)c1O ZINC000331248613 264180455 /nfs/dbraw/zinc/18/04/55/264180455.db2.gz XDROQJOCCRGLRG-LBPRGKRZSA-N 1 2 278.352 1.726 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2CC)CC1 ZINC000282884467 264506031 /nfs/dbraw/zinc/50/60/31/264506031.db2.gz VRIHBULDHNJXLQ-UHFFFAOYSA-N 1 2 299.378 1.622 20 30 CDEDLO C=CCC1(NC(=O)NCC[N@H+]2CCOC[C@H]2C)CCCC1 ZINC000663989905 424094083 /nfs/dbraw/zinc/09/40/83/424094083.db2.gz CXGWGYAPGDGEJJ-CQSZACIVSA-N 1 2 295.427 1.895 20 30 CDEDLO C=CCC1(NC(=O)NCC[N@@H+]2CCOC[C@H]2C)CCCC1 ZINC000663989905 424094093 /nfs/dbraw/zinc/09/40/93/424094093.db2.gz CXGWGYAPGDGEJJ-CQSZACIVSA-N 1 2 295.427 1.895 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1C ZINC000356732855 266165906 /nfs/dbraw/zinc/16/59/06/266165906.db2.gz ALFREJQKJGWYNZ-SQWLQELKSA-N 1 2 280.412 1.910 20 30 CDEDLO N#Cc1ccc(CC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000548638507 289908869 /nfs/dbraw/zinc/90/88/69/289908869.db2.gz GONQFMHMIRUXNB-AWEZNQCLSA-N 1 2 280.331 1.428 20 30 CDEDLO C[C@H](O)C[C@@H]1COCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000157086225 290138178 /nfs/dbraw/zinc/13/81/78/290138178.db2.gz KLHYPPNJSYQRGC-SWLSCSKDSA-N 1 2 260.337 1.530 20 30 CDEDLO C[C@H](O)C[C@@H]1COCC[N@H+]1Cc1cccc(C#N)c1 ZINC000157086225 290138183 /nfs/dbraw/zinc/13/81/83/290138183.db2.gz KLHYPPNJSYQRGC-SWLSCSKDSA-N 1 2 260.337 1.530 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](Nc1ccc(C#N)cn1)C1CC1 ZINC000557697727 290365002 /nfs/dbraw/zinc/36/50/02/290365002.db2.gz MDMYBXUUMHBSSL-ZDUSSCGKSA-N 1 2 253.309 1.672 20 30 CDEDLO N#Cc1nccc(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC000568924750 294124416 /nfs/dbraw/zinc/12/44/16/294124416.db2.gz WRYANAZZYJMWOL-UHFFFAOYSA-N 1 2 254.297 1.386 20 30 CDEDLO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCSCC1 ZINC000329044908 295388121 /nfs/dbraw/zinc/38/81/21/295388121.db2.gz FKUPPUGUEFGRMQ-JTQLQIEISA-N 1 2 266.370 1.161 20 30 CDEDLO C[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330055994 297557947 /nfs/dbraw/zinc/55/79/47/297557947.db2.gz VEEQEZWIDKQBCC-SRVKXCTJSA-N 1 2 263.341 1.970 20 30 CDEDLO C#CCN(CC#CC)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000490829891 327664804 /nfs/dbraw/zinc/66/48/04/327664804.db2.gz HBFRSHHKQAATRD-UHFFFAOYSA-N 1 2 280.331 1.502 20 30 CDEDLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccc(C#N)cn2)[nH+]1 ZINC000577184943 317281308 /nfs/dbraw/zinc/28/13/08/317281308.db2.gz WPDDJTXSFIUTPF-UHFFFAOYSA-N 1 2 269.308 1.650 20 30 CDEDLO CCOc1ccc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000571590205 328136083 /nfs/dbraw/zinc/13/60/83/328136083.db2.gz JBAIJKNPKYUVTA-MRXNPFEDSA-N 1 2 289.379 1.588 20 30 CDEDLO Cc1cccc2[nH]cc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c21 ZINC000571646253 328190724 /nfs/dbraw/zinc/19/07/24/328190724.db2.gz OZUWTNWJMJTMMA-QGZVFWFLSA-N 1 2 298.390 1.979 20 30 CDEDLO CCc1noc([C@@H](C)O[NH+]=C(N)[C@@H]2CCCO2)n1 ZINC000284614988 328246540 /nfs/dbraw/zinc/24/65/40/328246540.db2.gz ZFROOWUVLDPKQN-SFYZADRCSA-N 1 2 254.290 1.161 20 30 CDEDLO N#CCCCC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000291752146 328266187 /nfs/dbraw/zinc/26/61/87/328266187.db2.gz SXJCWMNHSDSINQ-UHFFFAOYSA-N 1 2 292.408 1.871 20 30 CDEDLO N#CCCCC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000291752146 328266188 /nfs/dbraw/zinc/26/61/88/328266188.db2.gz SXJCWMNHSDSINQ-UHFFFAOYSA-N 1 2 292.408 1.871 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000121089630 328364837 /nfs/dbraw/zinc/36/48/37/328364837.db2.gz QDVXHRHZTZPRMO-KBPBESRZSA-N 1 2 293.363 1.880 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000121089630 328364838 /nfs/dbraw/zinc/36/48/38/328364838.db2.gz QDVXHRHZTZPRMO-KBPBESRZSA-N 1 2 293.363 1.880 20 30 CDEDLO CCNC(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000124741193 328453301 /nfs/dbraw/zinc/45/33/01/328453301.db2.gz LYJHZRMNWMOAQX-OAHLLOKOSA-N 1 2 286.379 1.005 20 30 CDEDLO C=C[C@H]1CCCCN1c1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000518337126 327154869 /nfs/dbraw/zinc/15/48/69/327154869.db2.gz ATQNIXVTJSAMKS-NEPJUHHUSA-N 1 2 262.357 1.814 20 30 CDEDLO C=C[C@H]1CCCCN1c1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000518337126 327154871 /nfs/dbraw/zinc/15/48/71/327154871.db2.gz ATQNIXVTJSAMKS-NEPJUHHUSA-N 1 2 262.357 1.814 20 30 CDEDLO C=C[C@@H](CO)[NH2+]Cc1csc(N(CC)C(C)=O)n1 ZINC000352454728 328751396 /nfs/dbraw/zinc/75/13/96/328751396.db2.gz VBNVRJULKBBEOA-JTQLQIEISA-N 1 2 269.370 1.152 20 30 CDEDLO CCC[C@H](C#N)NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000532762060 328807336 /nfs/dbraw/zinc/80/73/36/328807336.db2.gz GWLYSPNLCNKUPC-WDEREUQCSA-N 1 2 255.387 1.232 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000375642521 329004851 /nfs/dbraw/zinc/00/48/51/329004851.db2.gz OFMVIEFAZGEBGA-HNNXBMFYSA-N 1 2 274.368 1.818 20 30 CDEDLO CCN(CCC#N)C(=O)CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378484779 329052210 /nfs/dbraw/zinc/05/22/10/329052210.db2.gz WXHYFTXGIRAWIX-LBPRGKRZSA-N 1 2 275.356 1.309 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cc(-c2cccnc2)n[nH]1 ZINC000360078533 329071237 /nfs/dbraw/zinc/07/12/37/329071237.db2.gz WTCGRNRUYZYJKH-UHFFFAOYSA-N 1 2 250.305 1.540 20 30 CDEDLO C=CCCCC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000175410259 329165709 /nfs/dbraw/zinc/16/57/09/329165709.db2.gz VXWVUFLJELYNQX-UHFFFAOYSA-N 1 2 280.372 1.839 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(CC#N)ccn1 ZINC000583033983 329305730 /nfs/dbraw/zinc/30/57/30/329305730.db2.gz KVCKGDZTCLINGX-JTQLQIEISA-N 1 2 269.308 1.688 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cc(CC#N)ccn1 ZINC000583033983 329305731 /nfs/dbraw/zinc/30/57/31/329305731.db2.gz KVCKGDZTCLINGX-JTQLQIEISA-N 1 2 269.308 1.688 20 30 CDEDLO C=CCC[C@H]1NC(=O)N(Cc2cn3ccccc3[nH+]2)C1=O ZINC000419921461 329748756 /nfs/dbraw/zinc/74/87/56/329748756.db2.gz IFVDKKWGBAVBOE-GFCCVEGCSA-N 1 2 284.319 1.721 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000248347685 329889572 /nfs/dbraw/zinc/88/95/72/329889572.db2.gz NRXREOPAXIFUOU-FICVDOATSA-N 1 2 291.395 1.107 20 30 CDEDLO C=CCCC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000264331950 330061230 /nfs/dbraw/zinc/06/12/30/330061230.db2.gz SWTOTCJWQLSONR-UHFFFAOYSA-N 1 2 278.356 1.120 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccccn1 ZINC000451376806 331026241 /nfs/dbraw/zinc/02/62/41/331026241.db2.gz MNRAZBHOUQWESA-XJKSGUPXSA-N 1 2 288.395 1.956 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccn1 ZINC000451376806 331026242 /nfs/dbraw/zinc/02/62/42/331026242.db2.gz MNRAZBHOUQWESA-XJKSGUPXSA-N 1 2 288.395 1.956 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000452446723 331064899 /nfs/dbraw/zinc/06/48/99/331064899.db2.gz CPCIQIHTYDQUAG-AGIUHOORSA-N 1 2 289.379 1.921 20 30 CDEDLO C=C(CC)CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000454867310 331155185 /nfs/dbraw/zinc/15/51/85/331155185.db2.gz QYISQIOSOUKUIX-UHFFFAOYSA-N 1 2 267.373 1.117 20 30 CDEDLO CC#CCCNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000458673231 331256718 /nfs/dbraw/zinc/25/67/18/331256718.db2.gz ZDKVFUXLIBJXIZ-LBPRGKRZSA-N 1 2 274.368 1.926 20 30 CDEDLO C=C(C)CCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000458990155 331264524 /nfs/dbraw/zinc/26/45/24/331264524.db2.gz BIESYPWQWNKERQ-CQSZACIVSA-N 1 2 281.400 1.459 20 30 CDEDLO N#CC1(F)CC[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000459469793 331283287 /nfs/dbraw/zinc/28/32/87/331283287.db2.gz SISVVAWNGXKMSN-UHFFFAOYSA-N 1 2 276.315 1.887 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000464520396 331361846 /nfs/dbraw/zinc/36/18/46/331361846.db2.gz ICUBTOCGHZETDD-RBSFLKMASA-N 1 2 296.411 1.147 20 30 CDEDLO C=CCSCCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000488488699 332013348 /nfs/dbraw/zinc/01/33/48/332013348.db2.gz PAHZNYFZJAHRFG-LLVKDONJSA-N 1 2 280.397 1.416 20 30 CDEDLO C#CCNC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(Cl)cc1 ZINC000490759700 332112984 /nfs/dbraw/zinc/11/29/84/332112984.db2.gz FEQPWXNSZSDWCM-SECBINFHSA-N 1 2 279.727 1.115 20 30 CDEDLO C#CCN(C)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000491201095 332164648 /nfs/dbraw/zinc/16/46/48/332164648.db2.gz FKFINUVWDFTRMT-UHFFFAOYSA-N 1 2 296.330 1.117 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cnc(N2CCCC2)nc1 ZINC000491220430 332168488 /nfs/dbraw/zinc/16/84/88/332168488.db2.gz NIWZBUKIRBODBK-UHFFFAOYSA-N 1 2 254.337 1.145 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](O)[C@@H](C)c1ccccc1 ZINC000491338120 332192264 /nfs/dbraw/zinc/19/22/64/332192264.db2.gz GGBLASPKRNRRQY-IMJJTQAJSA-N 1 2 259.349 1.485 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](O)[C@@H](C)c1ccccc1 ZINC000491338120 332192266 /nfs/dbraw/zinc/19/22/66/332192266.db2.gz GGBLASPKRNRRQY-IMJJTQAJSA-N 1 2 259.349 1.485 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)[C@]2(CCCO2)[C@H]1C1CC1 ZINC000491340629 332193856 /nfs/dbraw/zinc/19/38/56/332193856.db2.gz ZBGAERBGSDZEQT-LNSITVRQSA-N 1 2 262.353 1.067 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)[C@]2(CCCO2)[C@H]1C1CC1 ZINC000491340629 332193857 /nfs/dbraw/zinc/19/38/57/332193857.db2.gz ZBGAERBGSDZEQT-LNSITVRQSA-N 1 2 262.353 1.067 20 30 CDEDLO C#C[C@@H](NC(=O)CCc1c[nH+]cn1C)c1ccc(F)cc1 ZINC000491351227 332195515 /nfs/dbraw/zinc/19/55/15/332195515.db2.gz SOMOEGZURHKVSD-OAHLLOKOSA-N 1 2 285.322 1.983 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@H](c2cccc(OC)c2)CC1=O ZINC000491362719 332197411 /nfs/dbraw/zinc/19/74/11/332197411.db2.gz UXGQINACJMTVIK-ZFWWWQNUSA-N 1 2 286.375 1.922 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@H](c2cccc(OC)c2)CC1=O ZINC000491362719 332197412 /nfs/dbraw/zinc/19/74/12/332197412.db2.gz UXGQINACJMTVIK-ZFWWWQNUSA-N 1 2 286.375 1.922 20 30 CDEDLO C/C=C/C=C\C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000491369556 332198177 /nfs/dbraw/zinc/19/81/77/332198177.db2.gz WIQIAGDAOJIBRP-ZPYFUIHZSA-N 1 2 277.368 1.193 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCCN(CC)CC(F)(F)F ZINC000491513598 332226309 /nfs/dbraw/zinc/22/63/09/332226309.db2.gz DDBYCNGQIAHLSE-GFCCVEGCSA-N 1 2 278.318 1.595 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCCN(CC)CC(F)(F)F ZINC000491513598 332226310 /nfs/dbraw/zinc/22/63/10/332226310.db2.gz DDBYCNGQIAHLSE-GFCCVEGCSA-N 1 2 278.318 1.595 20 30 CDEDLO C#C[C@H](NC(=O)NCc1c[nH+]cn1C)c1ccc(F)cc1 ZINC000491622308 332247358 /nfs/dbraw/zinc/24/73/58/332247358.db2.gz HJIPRGYBIUMXRW-AWEZNQCLSA-N 1 2 286.310 1.733 20 30 CDEDLO C#CCN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000491627486 332250705 /nfs/dbraw/zinc/25/07/05/332250705.db2.gz KYRKKDQEMIQJIX-UHFFFAOYSA-N 1 2 298.390 1.858 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000491633134 332254992 /nfs/dbraw/zinc/25/49/92/332254992.db2.gz PMFOCMOJWVLIMR-ZIAGYGMSSA-N 1 2 295.766 1.414 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000491633134 332254993 /nfs/dbraw/zinc/25/49/93/332254993.db2.gz PMFOCMOJWVLIMR-ZIAGYGMSSA-N 1 2 295.766 1.414 20 30 CDEDLO C#CC(C)(C)NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000491692812 332289441 /nfs/dbraw/zinc/28/94/41/332289441.db2.gz SBTJGOUCBLUACQ-VIFPVBQESA-N 1 2 287.285 1.984 20 30 CDEDLO C#CC[N@@H+](C[C@H](CC(C)C)OC)[C@H]1CCS(=O)(=O)C1 ZINC000491735534 332316223 /nfs/dbraw/zinc/31/62/23/332316223.db2.gz UHMIQPVKHYFJRG-KBPBESRZSA-N 1 2 287.425 1.170 20 30 CDEDLO C#CC[N@H+](C[C@H](CC(C)C)OC)[C@H]1CCS(=O)(=O)C1 ZINC000491735534 332316225 /nfs/dbraw/zinc/31/62/25/332316225.db2.gz UHMIQPVKHYFJRG-KBPBESRZSA-N 1 2 287.425 1.170 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(OCCOC)cc1 ZINC000491773427 332339464 /nfs/dbraw/zinc/33/94/64/332339464.db2.gz RUYHKYWKEJDDKV-OAHLLOKOSA-N 1 2 275.348 1.546 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(OCCOC)cc1 ZINC000491773427 332339466 /nfs/dbraw/zinc/33/94/66/332339466.db2.gz RUYHKYWKEJDDKV-OAHLLOKOSA-N 1 2 275.348 1.546 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@](CC)(C2CC2)C1=O ZINC000491804027 332357964 /nfs/dbraw/zinc/35/79/64/332357964.db2.gz KFSFBMCOSHEMMC-QMTHXVAHSA-N 1 2 263.341 1.008 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@](CC)(C2CC2)C1=O ZINC000491804027 332357965 /nfs/dbraw/zinc/35/79/65/332357965.db2.gz KFSFBMCOSHEMMC-QMTHXVAHSA-N 1 2 263.341 1.008 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(OC)c(OC)c1 ZINC000491815467 332366578 /nfs/dbraw/zinc/36/65/78/332366578.db2.gz FTJYIWXJQADTSG-LLVKDONJSA-N 1 2 276.336 1.596 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(OC)c(OC)c1 ZINC000491815467 332366579 /nfs/dbraw/zinc/36/65/79/332366579.db2.gz FTJYIWXJQADTSG-LLVKDONJSA-N 1 2 276.336 1.596 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)/C=C\c1[nH+]ccn1CC ZINC000492302115 332391432 /nfs/dbraw/zinc/39/14/32/332391432.db2.gz XORYRPBSDVKTGN-ZHRWSRJISA-N 1 2 260.341 1.924 20 30 CDEDLO C#CCOc1ccccc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492773815 332412970 /nfs/dbraw/zinc/41/29/70/332412970.db2.gz VVDRGFJRKLOOTH-BQYQJAHWSA-N 1 2 281.315 1.751 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/SCc1ccco1 ZINC000493654264 332448809 /nfs/dbraw/zinc/44/88/09/332448809.db2.gz NVBWNDRLRHDNGG-OWNNVSBGSA-N 1 2 293.392 1.987 20 30 CDEDLO N#CC1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000516828203 333083337 /nfs/dbraw/zinc/08/33/37/333083337.db2.gz HMEGUVNTUJRAMO-LLVKDONJSA-N 1 2 258.325 1.592 20 30 CDEDLO CC[C@H](CC#N)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000547294536 334076285 /nfs/dbraw/zinc/07/62/85/334076285.db2.gz UGOOIPKIANLXGS-GFCCVEGCSA-N 1 2 270.336 1.994 20 30 CDEDLO N#CCC[N@@H+](CC(=O)NCC(F)(F)F)CC1CC1 ZINC000081043825 334177164 /nfs/dbraw/zinc/17/71/64/334177164.db2.gz PWCADKJYCCXXCG-UHFFFAOYSA-N 1 2 263.263 1.291 20 30 CDEDLO N#CCC[N@H+](CC(=O)NCC(F)(F)F)CC1CC1 ZINC000081043825 334177165 /nfs/dbraw/zinc/17/71/65/334177165.db2.gz PWCADKJYCCXXCG-UHFFFAOYSA-N 1 2 263.263 1.291 20 30 CDEDLO Cc1cccn2cc(CC(=O)N[C@@](C)(C#N)CN(C)C)[nH+]c12 ZINC000576350853 335193022 /nfs/dbraw/zinc/19/30/22/335193022.db2.gz UQEIFVVFFLFZMJ-INIZCTEOSA-N 1 2 299.378 1.145 20 30 CDEDLO Cc1ccsc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000580686100 335322510 /nfs/dbraw/zinc/32/25/10/335322510.db2.gz OXQSFJSYUSRGCI-GFCCVEGCSA-N 1 2 251.355 1.630 20 30 CDEDLO CC[C@@H]1C[C@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)CCO1 ZINC000577223666 335325766 /nfs/dbraw/zinc/32/57/66/335325766.db2.gz IBMWIJZEDBVVMI-UMVBOHGHSA-N 1 2 281.400 1.542 20 30 CDEDLO CC(C)COCCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000581611048 336112208 /nfs/dbraw/zinc/11/22/08/336112208.db2.gz MEEXAQWESSALBZ-ZDUSSCGKSA-N 1 2 255.362 1.009 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1ccc(Cl)cc1 ZINC000581761418 336143460 /nfs/dbraw/zinc/14/34/60/336143460.db2.gz PGRFMCPNYWGXAH-AWEZNQCLSA-N 1 2 295.770 1.679 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1ccccc1OC ZINC000581952513 336178233 /nfs/dbraw/zinc/17/82/33/336178233.db2.gz MQHXDAVODJVHRE-CYBMUJFWSA-N 1 2 275.352 1.593 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001754497731 1159248403 /nfs/dbraw/zinc/24/84/03/1159248403.db2.gz OZGAGHOURIFXOZ-HRCADAONSA-N 1 2 290.407 1.263 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001754497731 1159248406 /nfs/dbraw/zinc/24/84/06/1159248406.db2.gz OZGAGHOURIFXOZ-HRCADAONSA-N 1 2 290.407 1.263 20 30 CDEDLO C=CCOCC[N@H+]1CC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001731372323 1159292844 /nfs/dbraw/zinc/29/28/44/1159292844.db2.gz KHYRTWKTUVMUSX-ZJUUUORDSA-N 1 2 298.280 1.280 20 30 CDEDLO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001731372323 1159292848 /nfs/dbraw/zinc/29/28/48/1159292848.db2.gz KHYRTWKTUVMUSX-ZJUUUORDSA-N 1 2 298.280 1.280 20 30 CDEDLO CCc1noc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C#CC2CC2)n1 ZINC001755258187 1159815490 /nfs/dbraw/zinc/81/54/90/1159815490.db2.gz ZTHKLZQXGQIIBZ-WDEREUQCSA-N 1 2 290.367 1.028 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccnc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225586654 1160018388 /nfs/dbraw/zinc/01/83/88/1160018388.db2.gz GGAXTFHHOMIWSE-ADAFDVPTSA-N 1 2 266.728 1.726 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccnc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225586654 1160018396 /nfs/dbraw/zinc/01/83/96/1160018396.db2.gz GGAXTFHHOMIWSE-ADAFDVPTSA-N 1 2 266.728 1.726 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](CC)CC(=O)N(C)C ZINC000677884487 482821045 /nfs/dbraw/zinc/82/10/45/482821045.db2.gz RFKSINIYDIZOFI-ZDUSSCGKSA-N 1 2 283.416 1.210 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](CC)CC(=O)N(C)C ZINC000677884487 482821050 /nfs/dbraw/zinc/82/10/50/482821050.db2.gz RFKSINIYDIZOFI-ZDUSSCGKSA-N 1 2 283.416 1.210 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sc(C)cc2OC)C1 ZINC001077775036 1161332181 /nfs/dbraw/zinc/33/21/81/1161332181.db2.gz CQACTBXHODTMLY-GHMZBOCLSA-N 1 2 296.392 1.026 20 30 CDEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sc(C)cc2OC)C1 ZINC001077775036 1161332187 /nfs/dbraw/zinc/33/21/87/1161332187.db2.gz CQACTBXHODTMLY-GHMZBOCLSA-N 1 2 296.392 1.026 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+](CC=C)CC1 ZINC001112676309 1162050617 /nfs/dbraw/zinc/05/06/17/1162050617.db2.gz IPDKDQJBOXMKHT-CYBMUJFWSA-N 1 2 252.358 1.298 20 30 CDEDLO C=CCCCCC[NH+]1CCN(C(=O)c2[nH]nnc2C)CC1 ZINC001113182002 1162123691 /nfs/dbraw/zinc/12/36/91/1162123691.db2.gz SIJAXZQVFSRXTE-UHFFFAOYSA-N 1 2 291.399 1.617 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)N(C)CC(F)(F)F)CC1 ZINC001113257463 1162139120 /nfs/dbraw/zinc/13/91/20/1162139120.db2.gz WANIWIKFAJZASC-LLVKDONJSA-N 1 2 293.333 1.199 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CC(F)(F)C(F)F)CC1 ZINC001113353859 1162160035 /nfs/dbraw/zinc/16/00/35/1162160035.db2.gz RLXRBKNOAFGLHP-UHFFFAOYSA-N 1 2 280.265 1.444 20 30 CDEDLO C[N@H+](Cc1cccc(C#N)c1)CC1(CS(C)(=O)=O)CC1 ZINC000339865172 523296988 /nfs/dbraw/zinc/29/69/88/523296988.db2.gz JJFKNFHDMSEFJE-UHFFFAOYSA-N 1 2 292.404 1.815 20 30 CDEDLO C[N@@H+](Cc1cccc(C#N)c1)CC1(CS(C)(=O)=O)CC1 ZINC000339865172 523296998 /nfs/dbraw/zinc/29/69/98/523296998.db2.gz JJFKNFHDMSEFJE-UHFFFAOYSA-N 1 2 292.404 1.815 20 30 CDEDLO COCC[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000049236656 523576358 /nfs/dbraw/zinc/57/63/58/523576358.db2.gz PEGMFMXYENJNNO-UHFFFAOYSA-N 1 2 253.327 1.136 20 30 CDEDLO COCC[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000049236656 523576364 /nfs/dbraw/zinc/57/63/64/523576364.db2.gz PEGMFMXYENJNNO-UHFFFAOYSA-N 1 2 253.327 1.136 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@](C)(O)C1 ZINC000245862848 523654998 /nfs/dbraw/zinc/65/49/98/523654998.db2.gz FRIAFHKIXLMROS-ZBFHGGJFSA-N 1 2 288.347 1.619 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@](C)(O)C1 ZINC000245862848 523654978 /nfs/dbraw/zinc/65/49/78/523654978.db2.gz FRIAFHKIXLMROS-ZBFHGGJFSA-N 1 2 288.347 1.619 20 30 CDEDLO C=CC[N@H+](Cc1ccccc1)[C@@H](C(=O)OC)[C@@H](C)O ZINC000351969263 526357773 /nfs/dbraw/zinc/35/77/73/526357773.db2.gz VGPVEZGFRVDWHH-TZMCWYRMSA-N 1 2 263.337 1.597 20 30 CDEDLO C=CC[N@@H+](Cc1ccccc1)[C@@H](C(=O)OC)[C@@H](C)O ZINC000351969263 526357783 /nfs/dbraw/zinc/35/77/83/526357783.db2.gz VGPVEZGFRVDWHH-TZMCWYRMSA-N 1 2 263.337 1.597 20 30 CDEDLO C=C(CC)C[NH2+][C@H](C(=O)OCC)[C@H]1CCCOC1 ZINC000347609748 526859690 /nfs/dbraw/zinc/85/96/90/526859690.db2.gz KRHVZKYAYYCCMI-STQMWFEESA-N 1 2 255.358 1.901 20 30 CDEDLO C#CC[NH+]1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000112705696 526955892 /nfs/dbraw/zinc/95/58/92/526955892.db2.gz GDUJJABVSMAUGT-INIZCTEOSA-N 1 2 283.375 1.043 20 30 CDEDLO C#CCN1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000112705696 526955895 /nfs/dbraw/zinc/95/58/95/526955895.db2.gz GDUJJABVSMAUGT-INIZCTEOSA-N 1 2 283.375 1.043 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1csc(CC)n1 ZINC000111377087 527022230 /nfs/dbraw/zinc/02/22/30/527022230.db2.gz UWJVIKAJSIAJIZ-NXEZZACHSA-N 1 2 265.382 1.494 20 30 CDEDLO CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@H](C)C#N ZINC000353287581 527918548 /nfs/dbraw/zinc/91/85/48/527918548.db2.gz PAVARGDYGNKRJU-BXUZGUMPSA-N 1 2 262.357 1.276 20 30 CDEDLO CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@H](C)C#N ZINC000353287581 527918552 /nfs/dbraw/zinc/91/85/52/527918552.db2.gz PAVARGDYGNKRJU-BXUZGUMPSA-N 1 2 262.357 1.276 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000332408560 528692518 /nfs/dbraw/zinc/69/25/18/528692518.db2.gz YWNYXCGCCYUKNU-OLZOCXBDSA-N 1 2 289.383 1.555 20 30 CDEDLO CCN1CCC[N@H+](Cc2ccc(C#N)s2)CC1=O ZINC000191538209 535518659 /nfs/dbraw/zinc/51/86/59/535518659.db2.gz QKFGGODOUHFOAP-UHFFFAOYSA-N 1 2 263.366 1.674 20 30 CDEDLO CCN1CCC[N@@H+](Cc2ccc(C#N)s2)CC1=O ZINC000191538209 535518663 /nfs/dbraw/zinc/51/86/63/535518663.db2.gz QKFGGODOUHFOAP-UHFFFAOYSA-N 1 2 263.366 1.674 20 30 CDEDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191364989 535639365 /nfs/dbraw/zinc/63/93/65/535639365.db2.gz YVRMXKJVFWSADP-LLVKDONJSA-N 1 2 283.397 1.152 20 30 CDEDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191364989 535639373 /nfs/dbraw/zinc/63/93/73/535639373.db2.gz YVRMXKJVFWSADP-LLVKDONJSA-N 1 2 283.397 1.152 20 30 CDEDLO CC(C)C[C@H](C#N)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000726560022 574500500 /nfs/dbraw/zinc/50/05/00/574500500.db2.gz UDDRVDKAKXVARN-CYBMUJFWSA-N 1 2 283.335 1.935 20 30 CDEDLO CC1(C)C[N@H+](CCNC(=O)c2sccc2C#N)CCO1 ZINC000170628779 574695777 /nfs/dbraw/zinc/69/57/77/574695777.db2.gz YYNYDLPLJDPQEA-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO CC1(C)C[N@@H+](CCNC(=O)c2sccc2C#N)CCO1 ZINC000170628779 574695779 /nfs/dbraw/zinc/69/57/79/574695779.db2.gz YYNYDLPLJDPQEA-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO CCC/C=C/C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000729352446 574752076 /nfs/dbraw/zinc/75/20/76/574752076.db2.gz OYJHKSKTWKJCDF-GQCTYLIASA-N 1 2 279.384 1.417 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NC)cc1 ZINC000730104502 574850416 /nfs/dbraw/zinc/85/04/16/574850416.db2.gz OBWNQEOIAMOZKT-AWEZNQCLSA-N 1 2 285.347 1.082 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NC)cc1 ZINC000730104502 574850418 /nfs/dbraw/zinc/85/04/18/574850418.db2.gz OBWNQEOIAMOZKT-AWEZNQCLSA-N 1 2 285.347 1.082 20 30 CDEDLO O=[N+]([O-])c1ccc(N=NCc2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000731151811 575034855 /nfs/dbraw/zinc/03/48/55/575034855.db2.gz NWJVJPHLLCZAJQ-UHFFFAOYSA-N 1 2 276.212 1.672 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000760886433 576521120 /nfs/dbraw/zinc/52/11/20/576521120.db2.gz DBXFCWHAVRUXNA-HNNXBMFYSA-N 1 2 297.358 1.009 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000760886433 576521121 /nfs/dbraw/zinc/52/11/21/576521121.db2.gz DBXFCWHAVRUXNA-HNNXBMFYSA-N 1 2 297.358 1.009 20 30 CDEDLO CCO[C@H]1CC(=[NH+]n2cnnc2)[C@@H]1Oc1ccccc1 ZINC000774300606 575196969 /nfs/dbraw/zinc/19/69/69/575196969.db2.gz FYMLJJMQANCTRO-KBPBESRZSA-N 1 2 272.308 1.739 20 30 CDEDLO N#CCCNC(=O)C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000735495097 575473269 /nfs/dbraw/zinc/47/32/69/575473269.db2.gz QHDAEXNZCHRUFP-AWEZNQCLSA-N 1 2 289.404 1.806 20 30 CDEDLO N#CCCNC(=O)C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000735495097 575473272 /nfs/dbraw/zinc/47/32/72/575473272.db2.gz QHDAEXNZCHRUFP-AWEZNQCLSA-N 1 2 289.404 1.806 20 30 CDEDLO CCC1N=NC(=S)N1N=Cc1cccc2[nH+]ccn21 ZINC000771087663 575547047 /nfs/dbraw/zinc/54/70/47/575547047.db2.gz GUFQWULXDPOYHC-UHFFFAOYSA-N 1 2 272.337 1.659 20 30 CDEDLO C#CCC(C)(C)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767662159 576217241 /nfs/dbraw/zinc/21/72/41/576217241.db2.gz FOCRADZMJIWEQY-BETUJISGSA-N 1 2 265.353 1.442 20 30 CDEDLO C#CCC(C)(C)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767662159 576217242 /nfs/dbraw/zinc/21/72/42/576217242.db2.gz FOCRADZMJIWEQY-BETUJISGSA-N 1 2 265.353 1.442 20 30 CDEDLO CCn1cc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)cn1 ZINC000761861516 576599055 /nfs/dbraw/zinc/59/90/55/576599055.db2.gz ZNMQSFJMWUSWGH-UHFFFAOYSA-N 1 2 282.311 1.325 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)[C@]2(C)CCc3ccccc3C2)CC1 ZINC000742669769 576611681 /nfs/dbraw/zinc/61/16/81/576611681.db2.gz BGFSDVDXLJOFKZ-LJQANCHMSA-N 1 2 296.414 1.959 20 30 CDEDLO Cc1ccc(N2CC[C@H]([NH2+][C@@H](C)CC#N)C2=O)cc1 ZINC000743479379 576641819 /nfs/dbraw/zinc/64/18/19/576641819.db2.gz JNQOBKSUZQXLLB-JSGCOSHPSA-N 1 2 257.337 1.992 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)ncn2C ZINC000743780450 576654448 /nfs/dbraw/zinc/65/44/48/576654448.db2.gz LRIQTIIEJYGECD-HNNXBMFYSA-N 1 2 282.347 1.609 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)ncn2C ZINC000743780450 576654450 /nfs/dbraw/zinc/65/44/50/576654450.db2.gz LRIQTIIEJYGECD-HNNXBMFYSA-N 1 2 282.347 1.609 20 30 CDEDLO CC#CCOC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000745097647 576716186 /nfs/dbraw/zinc/71/61/86/576716186.db2.gz HVWAWLBCWGHWOG-UHFFFAOYSA-N 1 2 273.332 1.699 20 30 CDEDLO CCC(N=NC1=[NH+][C@H]2CCCC[C@H]2N1)[C@H]1CCOC1 ZINC000753939866 576867553 /nfs/dbraw/zinc/86/75/53/576867553.db2.gz RSLYVZRZKLQZQP-WCFLWFBJSA-N 1 2 264.373 1.649 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CN(c2ccccc2)C(C)C)CC1 ZINC000748813120 576926383 /nfs/dbraw/zinc/92/63/83/576926383.db2.gz IRGRWLVTGOFXJQ-UHFFFAOYSA-N 1 2 299.418 1.679 20 30 CDEDLO N#CCCNC(=O)C[N@H+]1CCc2ccc(F)cc2C1 ZINC000749448387 576948799 /nfs/dbraw/zinc/94/87/99/576948799.db2.gz JWUCNXYPIKNEMW-UHFFFAOYSA-N 1 2 261.300 1.214 20 30 CDEDLO N#CCCNC(=O)C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000749448387 576948800 /nfs/dbraw/zinc/94/88/00/576948800.db2.gz JWUCNXYPIKNEMW-UHFFFAOYSA-N 1 2 261.300 1.214 20 30 CDEDLO C[C@H](NC(=S)NN=Cc1c[nH+]cn1C)C1CC1 ZINC000755766593 576959458 /nfs/dbraw/zinc/95/94/58/576959458.db2.gz CRYXOGAMCQBGPK-QMMMGPOBSA-N 1 2 251.359 1.017 20 30 CDEDLO Cn1c[nH+]cc1CN=Nc1ncnc2ccsc21 ZINC000755799189 576961911 /nfs/dbraw/zinc/96/19/11/576961911.db2.gz VKZDBRRSARLGTH-UHFFFAOYSA-N 1 2 258.310 1.871 20 30 CDEDLO COc1cccc(O)c1/C=N\CC[N@@H+]1CCO[C@@H](C)C1 ZINC000750950445 577018577 /nfs/dbraw/zinc/01/85/77/577018577.db2.gz VPQINPPMEHVHPT-KPENOIPVSA-N 1 2 278.352 1.540 20 30 CDEDLO COc1cccc(O)c1/C=N\CC[N@H+]1CCO[C@@H](C)C1 ZINC000750950445 577018579 /nfs/dbraw/zinc/01/85/79/577018579.db2.gz VPQINPPMEHVHPT-KPENOIPVSA-N 1 2 278.352 1.540 20 30 CDEDLO C#CCOc1ccccc1C[NH2+]Cc1cc(C(N)=O)no1 ZINC000757906713 577060127 /nfs/dbraw/zinc/06/01/27/577060127.db2.gz OAKWVVZWJRFKJO-UHFFFAOYSA-N 1 2 285.303 1.075 20 30 CDEDLO C#CCOc1ccc(C[NH2+]Cc2cc(C(N)=O)no2)cc1 ZINC000757907639 577060138 /nfs/dbraw/zinc/06/01/38/577060138.db2.gz WKRRUOYHNGGPOL-UHFFFAOYSA-N 1 2 285.303 1.075 20 30 CDEDLO C#CCNC(=S)N1CC[NH+](Cc2cccs2)CC1 ZINC000758188723 577079139 /nfs/dbraw/zinc/07/91/39/577079139.db2.gz KJQYNQJHMWNCNP-UHFFFAOYSA-N 1 2 279.434 1.373 20 30 CDEDLO Cn1cccc1C[N@H+](C)Cn1cccc(C#N)c1=O ZINC000758238802 577088281 /nfs/dbraw/zinc/08/82/81/577088281.db2.gz XDPFABROCGWPLI-UHFFFAOYSA-N 1 2 256.309 1.148 20 30 CDEDLO Cn1cccc1C[N@@H+](C)Cn1cccc(C#N)c1=O ZINC000758238802 577088284 /nfs/dbraw/zinc/08/82/84/577088284.db2.gz XDPFABROCGWPLI-UHFFFAOYSA-N 1 2 256.309 1.148 20 30 CDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1c[nH+]cn1C ZINC000753147810 577148992 /nfs/dbraw/zinc/14/89/92/577148992.db2.gz RUMCECNLQGBNMT-LLVKDONJSA-N 1 2 285.303 1.802 20 30 CDEDLO N#CCCNC(=O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000753275322 577158869 /nfs/dbraw/zinc/15/88/69/577158869.db2.gz OQTVJCMJQCWLKQ-QGZVFWFLSA-N 1 2 299.374 1.190 20 30 CDEDLO N#CCCNC(=O)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000753275322 577158870 /nfs/dbraw/zinc/15/88/70/577158870.db2.gz OQTVJCMJQCWLKQ-QGZVFWFLSA-N 1 2 299.374 1.190 20 30 CDEDLO COc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1-c1nn[nH]n1 ZINC000826193295 607492523 /nfs/dbraw/zinc/49/25/23/607492523.db2.gz ZEDMHMWYVGQIKO-JTQLQIEISA-N 1 2 286.339 1.467 20 30 CDEDLO COc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1-c1nn[nH]n1 ZINC000826193295 607492524 /nfs/dbraw/zinc/49/25/24/607492524.db2.gz ZEDMHMWYVGQIKO-JTQLQIEISA-N 1 2 286.339 1.467 20 30 CDEDLO C=CC[C@H]1CCN1C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000890550665 617203620 /nfs/dbraw/zinc/20/36/20/617203620.db2.gz ZZPLCIFYTVCVHA-CMPYXILNSA-N 1 2 264.369 1.442 20 30 CDEDLO C#Cc1cncc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000807158005 617223535 /nfs/dbraw/zinc/22/35/35/617223535.db2.gz IDYDNRDFWMYVEZ-CYBMUJFWSA-N 1 2 280.331 1.426 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc3c(c2)COC3)C1 ZINC000953833600 612992261 /nfs/dbraw/zinc/99/22/61/612992261.db2.gz MVZCPGHESDCROQ-UHFFFAOYSA-N 1 2 298.386 1.886 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2conc2C2CC2)CC1 ZINC000981935690 613159687 /nfs/dbraw/zinc/15/96/87/613159687.db2.gz QSGOFVGDORFQGS-UHFFFAOYSA-N 1 2 273.336 1.333 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2conc2C2CC2)CC1 ZINC000981935690 613159689 /nfs/dbraw/zinc/15/96/89/613159689.db2.gz QSGOFVGDORFQGS-UHFFFAOYSA-N 1 2 273.336 1.333 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC ZINC000957967441 613236186 /nfs/dbraw/zinc/23/61/86/613236186.db2.gz HPPWKTQHDXKFFC-JZYVYDRUSA-N 1 2 273.174 1.351 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC ZINC000957967441 613236187 /nfs/dbraw/zinc/23/61/87/613236187.db2.gz HPPWKTQHDXKFFC-JZYVYDRUSA-N 1 2 273.174 1.351 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC000968669458 613221745 /nfs/dbraw/zinc/22/17/45/613221745.db2.gz NHMCQSPQXSNFKL-ZWNOBZJWSA-N 1 2 291.420 1.833 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC000968669458 613221746 /nfs/dbraw/zinc/22/17/46/613221746.db2.gz NHMCQSPQXSNFKL-ZWNOBZJWSA-N 1 2 291.420 1.833 20 30 CDEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC000948894885 613279893 /nfs/dbraw/zinc/27/98/93/613279893.db2.gz RDZQTHFWHFZBMR-RDJZCZTQSA-N 1 2 298.386 1.372 20 30 CDEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC000948894885 613279894 /nfs/dbraw/zinc/27/98/94/613279894.db2.gz RDZQTHFWHFZBMR-RDJZCZTQSA-N 1 2 298.386 1.372 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCO[C@H]2C)C1 ZINC000957043650 613294608 /nfs/dbraw/zinc/29/46/08/613294608.db2.gz FJJURSRCFFFQPU-GXTWGEPZSA-N 1 2 266.385 1.520 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2C[C@H](C)CO2)C1 ZINC000950919935 613295481 /nfs/dbraw/zinc/29/54/81/613295481.db2.gz OWAGLMDXSJRWGS-GXTWGEPZSA-N 1 2 266.385 1.520 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccn(CC)n2)C1 ZINC000952399560 613296902 /nfs/dbraw/zinc/29/69/02/613296902.db2.gz BEDDUGJHVVQJSG-UHFFFAOYSA-N 1 2 276.384 1.625 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2c(C)nn(CC)c2C)CC1 ZINC000951781573 613320065 /nfs/dbraw/zinc/32/00/65/613320065.db2.gz YMQDOTVHJFTWEO-UHFFFAOYSA-N 1 2 290.411 1.854 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[C@@H]2C)C1 ZINC000970283793 613371663 /nfs/dbraw/zinc/37/16/63/613371663.db2.gz HSJPBKNKPLQVLZ-XRNSZHNASA-N 1 2 256.777 1.831 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccsn2)C1 ZINC000969931168 613372485 /nfs/dbraw/zinc/37/24/85/613372485.db2.gz JRBUEPYJZJYJQN-VIFPVBQESA-N 1 2 285.800 1.946 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cncn2C)C1 ZINC000967263946 613377752 /nfs/dbraw/zinc/37/77/52/613377752.db2.gz CRPHHWUPERMRIL-JQWIXIFHSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cncn2C)C1 ZINC000967263946 613377753 /nfs/dbraw/zinc/37/77/53/613377753.db2.gz CRPHHWUPERMRIL-JQWIXIFHSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccnn2)C1 ZINC000968460897 613378151 /nfs/dbraw/zinc/37/81/51/613378151.db2.gz YOFYFTZSGNTRTC-GXFFZTMASA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccnn2)C1 ZINC000968460897 613378152 /nfs/dbraw/zinc/37/81/52/613378152.db2.gz YOFYFTZSGNTRTC-GXFFZTMASA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2CC2)C(C)(C)C1 ZINC000972723390 613379521 /nfs/dbraw/zinc/37/95/21/613379521.db2.gz ZQIWQYXVYSRCCU-LLVKDONJSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2CC2)C(C)(C)C1 ZINC000972723390 613379522 /nfs/dbraw/zinc/37/95/22/613379522.db2.gz ZQIWQYXVYSRCCU-LLVKDONJSA-N 1 2 256.777 1.976 20 30 CDEDLO C=CCC[NH+]1CCN(C(=O)c2nccs2)CC1 ZINC000952383254 613512829 /nfs/dbraw/zinc/51/28/29/613512829.db2.gz VJVYXMREBRNLDM-UHFFFAOYSA-N 1 2 251.355 1.477 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2cc(C3CC3)no2)CC1 ZINC000982054002 613553875 /nfs/dbraw/zinc/55/38/75/613553875.db2.gz GRFWZIBHFGQUNR-UHFFFAOYSA-N 1 2 287.363 1.723 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2cc(C3CC3)no2)CC1 ZINC000982054002 613553879 /nfs/dbraw/zinc/55/38/79/613553879.db2.gz GRFWZIBHFGQUNR-UHFFFAOYSA-N 1 2 287.363 1.723 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2c[nH]c3cnccc23)CC1 ZINC000949838049 613563278 /nfs/dbraw/zinc/56/32/78/613563278.db2.gz WZGBNAJMAXHAQE-UHFFFAOYSA-N 1 2 296.374 1.273 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2nccs2)C1 ZINC000968463914 613595397 /nfs/dbraw/zinc/59/53/97/613595397.db2.gz GDHURNYVXJJLKM-NWDGAFQWSA-N 1 2 277.393 1.607 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2nccs2)C1 ZINC000968463914 613595400 /nfs/dbraw/zinc/59/54/00/613595400.db2.gz GDHURNYVXJJLKM-NWDGAFQWSA-N 1 2 277.393 1.607 20 30 CDEDLO C[C@@H](CC(=O)N(CC#N)c1ccccn1)n1cc[nH+]c1 ZINC000892473155 617401998 /nfs/dbraw/zinc/40/19/98/617401998.db2.gz PDBFRNKLLHRWSL-LBPRGKRZSA-N 1 2 269.308 1.786 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)COc2ccc(F)c(F)c2)CC1 ZINC000957920355 613707936 /nfs/dbraw/zinc/70/79/36/613707936.db2.gz AKOVYFJKVNBMFS-UHFFFAOYSA-N 1 2 296.317 1.674 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2cscn2)CC1 ZINC000951214669 613709852 /nfs/dbraw/zinc/70/98/52/613709852.db2.gz JKIFGLVHALOBRG-UHFFFAOYSA-N 1 2 251.355 1.016 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2OCCc3ccccc32)CC1 ZINC000949587089 613711648 /nfs/dbraw/zinc/71/16/48/613711648.db2.gz XOOUFDSIWLCCQG-MRXNPFEDSA-N 1 2 286.375 1.631 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1 ZINC000949261180 613711918 /nfs/dbraw/zinc/71/19/18/613711918.db2.gz LXVFONPVICGFKQ-LSDHHAIUSA-N 1 2 278.396 1.379 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)n2nc(C)cc2C)CC1 ZINC000957880035 613712084 /nfs/dbraw/zinc/71/20/84/613712084.db2.gz QMDANNHFTNWXFS-AWEZNQCLSA-N 1 2 276.384 1.391 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c(C)nn(CCC)c2C)CC1 ZINC000957112929 613714107 /nfs/dbraw/zinc/71/41/07/613714107.db2.gz VACFRWKQZAXOHD-UHFFFAOYSA-N 1 2 290.411 1.854 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccncc2Cl)CC1 ZINC000950682817 613717467 /nfs/dbraw/zinc/71/74/67/613717467.db2.gz RVSZDDHHWJNNGA-UHFFFAOYSA-N 1 2 265.744 1.679 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](F)CC)C2)C1 ZINC000972501519 613724682 /nfs/dbraw/zinc/72/46/82/613724682.db2.gz FCSWNTVWEUIVIP-OCCSQVGLSA-N 1 2 270.348 1.224 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](F)CC)C2)C1 ZINC000972501519 613724684 /nfs/dbraw/zinc/72/46/84/613724684.db2.gz FCSWNTVWEUIVIP-OCCSQVGLSA-N 1 2 270.348 1.224 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccs3)C2)C1 ZINC000972240436 613727507 /nfs/dbraw/zinc/72/75/07/613727507.db2.gz TXUXNMWZZYEONO-OAHLLOKOSA-N 1 2 292.404 1.851 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccs3)C2)C1 ZINC000972240436 613727512 /nfs/dbraw/zinc/72/75/12/613727512.db2.gz TXUXNMWZZYEONO-OAHLLOKOSA-N 1 2 292.404 1.851 20 30 CDEDLO C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC000965620525 613775521 /nfs/dbraw/zinc/77/55/21/613775521.db2.gz CRUKYNDVKBACAE-GXFFZTMASA-N 1 2 276.384 1.653 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC000965620525 613775525 /nfs/dbraw/zinc/77/55/25/613775525.db2.gz CRUKYNDVKBACAE-GXFFZTMASA-N 1 2 276.384 1.653 20 30 CDEDLO CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C1CN(CC#N)C1 ZINC000950097658 614748010 /nfs/dbraw/zinc/74/80/10/614748010.db2.gz TXAMUUADXGHVRV-UHFFFAOYSA-N 1 2 297.362 1.313 20 30 CDEDLO Cc1cc(C#N)cc(C)c1C(=O)NCCn1cc[nH+]c1 ZINC000892583100 617520050 /nfs/dbraw/zinc/52/00/50/617520050.db2.gz TZZOIHXGLYVLJU-UHFFFAOYSA-N 1 2 268.320 1.802 20 30 CDEDLO CCN(C)c1ccc(C=[NH+]N(C)C(=S)NC)cn1 ZINC000841646968 617588101 /nfs/dbraw/zinc/58/81/01/617588101.db2.gz UJAVKZSMLGTZAV-UHFFFAOYSA-N 1 2 265.386 1.308 20 30 CDEDLO CC[C@H](CO)Nc1cc(N2CCC(C)(C#N)CC2)nc[nH+]1 ZINC000893112387 618184892 /nfs/dbraw/zinc/18/48/92/618184892.db2.gz ZGXHWVQVPPMZII-GFCCVEGCSA-N 1 2 289.383 1.789 20 30 CDEDLO CC[C@H](CO)Nc1cc(N2CCC(C)(C#N)CC2)[nH+]cn1 ZINC000893112387 618184895 /nfs/dbraw/zinc/18/48/95/618184895.db2.gz ZGXHWVQVPPMZII-GFCCVEGCSA-N 1 2 289.383 1.789 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895078275 619267365 /nfs/dbraw/zinc/26/73/65/619267365.db2.gz GSQSSHYSGYZIGV-ZDUSSCGKSA-N 1 2 268.263 1.521 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895078275 619267367 /nfs/dbraw/zinc/26/73/67/619267367.db2.gz GSQSSHYSGYZIGV-ZDUSSCGKSA-N 1 2 268.263 1.521 20 30 CDEDLO N#CCN1CCC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000895409814 619645425 /nfs/dbraw/zinc/64/54/25/619645425.db2.gz BGJLAHVIELCYIW-GFCCVEGCSA-N 1 2 297.362 1.528 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@](C(=O)OCC)(C(C)C)CC1=O ZINC000795452752 619886538 /nfs/dbraw/zinc/88/65/38/619886538.db2.gz OVLUSLVEAFCVDE-CJNGLKHVSA-N 1 2 294.395 1.335 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@](C(=O)OCC)(C(C)C)CC1=O ZINC000795452752 619886541 /nfs/dbraw/zinc/88/65/41/619886541.db2.gz OVLUSLVEAFCVDE-CJNGLKHVSA-N 1 2 294.395 1.335 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)cc1 ZINC000896533448 620132606 /nfs/dbraw/zinc/13/26/06/620132606.db2.gz YXYYLUAWJCONBG-BBRMVZONSA-N 1 2 285.391 1.032 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)cc1 ZINC000896533448 620132607 /nfs/dbraw/zinc/13/26/07/620132607.db2.gz YXYYLUAWJCONBG-BBRMVZONSA-N 1 2 285.391 1.032 20 30 CDEDLO CCn1c[nH+]c2c1CCN(c1ccc(C#N)nn1)C2 ZINC000896653239 620183885 /nfs/dbraw/zinc/18/38/85/620183885.db2.gz CRCIJPNWEFJUOK-UHFFFAOYSA-N 1 2 254.297 1.127 20 30 CDEDLO CCn1c[nH+]c2c1CCN(c1c(C#N)cnn1C)C2 ZINC000896653849 620183894 /nfs/dbraw/zinc/18/38/94/620183894.db2.gz LFRDETPODWHFIU-UHFFFAOYSA-N 1 2 256.313 1.071 20 30 CDEDLO C=C(CC)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897932328 621210417 /nfs/dbraw/zinc/21/04/17/621210417.db2.gz HFGKFRMMEFGBFY-ZDUSSCGKSA-N 1 2 262.357 1.872 20 30 CDEDLO C=C(CC)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000897932328 621210428 /nfs/dbraw/zinc/21/04/28/621210428.db2.gz HFGKFRMMEFGBFY-ZDUSSCGKSA-N 1 2 262.357 1.872 20 30 CDEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCC(C)(C)CC#N)[nH]n1 ZINC000897957405 621245647 /nfs/dbraw/zinc/24/56/47/621245647.db2.gz WAHYQXGKTYBXSM-ZDUSSCGKSA-N 1 2 289.383 1.846 20 30 CDEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCC(C)(C)CC#N)[nH]n1 ZINC000897957405 621245652 /nfs/dbraw/zinc/24/56/52/621245652.db2.gz WAHYQXGKTYBXSM-ZDUSSCGKSA-N 1 2 289.383 1.846 20 30 CDEDLO CCn1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)nn1 ZINC000899869017 622494970 /nfs/dbraw/zinc/49/49/70/622494970.db2.gz POSWALNWPDUETQ-AWEZNQCLSA-N 1 2 298.350 1.218 20 30 CDEDLO CCn1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)nn1 ZINC000899869017 622494974 /nfs/dbraw/zinc/49/49/74/622494974.db2.gz POSWALNWPDUETQ-AWEZNQCLSA-N 1 2 298.350 1.218 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2coc(C(C)(C)C)n2)nn1 ZINC000900594049 623270122 /nfs/dbraw/zinc/27/01/22/623270122.db2.gz WYLLNMSOVQTXQW-UHFFFAOYSA-N 1 2 287.367 1.725 20 30 CDEDLO COCC#CCO[NH+]=C(N)Cc1ccccc1F ZINC000902623849 625007895 /nfs/dbraw/zinc/00/78/95/625007895.db2.gz ZGXRGQOXHIKSHI-UHFFFAOYSA-N 1 2 250.273 1.516 20 30 CDEDLO N#CCC1CCN(C(=O)CNc2cccc[nH+]2)CC1 ZINC000907289091 627594318 /nfs/dbraw/zinc/59/43/18/627594318.db2.gz JWXXWMPCMDWRKK-UHFFFAOYSA-N 1 2 258.325 1.646 20 30 CDEDLO Cc1ccccc1CC(N)=[NH+]OCC(=O)NCC1CC1 ZINC000154449292 632254074 /nfs/dbraw/zinc/25/40/74/632254074.db2.gz NQYSZHPYGLRELN-UHFFFAOYSA-N 1 2 275.352 1.353 20 30 CDEDLO CCOC(=O)[C@@H](C#N)Nc1cccc(-c2c[nH+]cn2C)c1 ZINC001170371840 1162342149 /nfs/dbraw/zinc/34/21/49/1162342149.db2.gz ZBEDPEHDKGNDHY-CYBMUJFWSA-N 1 2 284.319 1.954 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H](C)C1CC1)CO2 ZINC001755066130 1159517042 /nfs/dbraw/zinc/51/70/42/1159517042.db2.gz VHSSPXBDOZNHLU-DZGCQCFKSA-N 1 2 290.407 1.405 20 30 CDEDLO COc1ccc(C#N)c(NCC2([NH+]3CCCC3)COC2)n1 ZINC001168450604 1161122319 /nfs/dbraw/zinc/12/23/19/1161122319.db2.gz RGWGLWYVRDQJKH-UHFFFAOYSA-N 1 2 288.351 1.239 20 30 CDEDLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)Nc1ccc(C#N)nc1 ZINC001113155570 1162115607 /nfs/dbraw/zinc/11/56/07/1162115607.db2.gz QIFNEWARZOYDON-QWRGUYRKSA-N 1 2 298.350 1.224 20 30 CDEDLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)Nc1ncccc1C#N ZINC001113314723 1162152735 /nfs/dbraw/zinc/15/27/35/1162152735.db2.gz VJHFITFQCNVGBU-QWRGUYRKSA-N 1 2 298.350 1.224 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCCOC2CCOCC2)CC1 ZINC001113522528 1162208019 /nfs/dbraw/zinc/20/80/19/1162208019.db2.gz BVLBWDXCCDRRTO-UHFFFAOYSA-N 1 2 296.411 1.292 20 30 CDEDLO Cc1[nH+]c[nH]c1CSCCNC(=O)c1ccc(C#N)[nH]1 ZINC001199681961 1164419533 /nfs/dbraw/zinc/41/95/33/1164419533.db2.gz AXVDIINNWQVJRH-UHFFFAOYSA-N 1 2 289.364 1.581 20 30 CDEDLO N#Cc1ncn(Cc2[nH+]ccn2CC(F)(F)F)c1C#N ZINC001647142839 1168406177 /nfs/dbraw/zinc/40/61/77/1168406177.db2.gz PPGGZXKLVPDYJX-UHFFFAOYSA-N 1 2 280.213 1.434 20 30 CDEDLO N#Cc1ccc([C@H](O)C[NH2+]Cc2nnc(C3CC3)o2)cc1 ZINC001650158550 1169763991 /nfs/dbraw/zinc/76/39/91/1169763991.db2.gz NCIKMZVIWNFHFH-CYBMUJFWSA-N 1 2 284.319 1.642 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1N(C)C ZINC001588930919 1173115187 /nfs/dbraw/zinc/11/51/87/1173115187.db2.gz NGTNOZWGDWLECB-LLVKDONJSA-N 1 2 299.382 1.524 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1N(C)C ZINC001588930919 1173115189 /nfs/dbraw/zinc/11/51/89/1173115189.db2.gz NGTNOZWGDWLECB-LLVKDONJSA-N 1 2 299.382 1.524 20 30 CDEDLO C=C(C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cnns1 ZINC001753106099 1185063819 /nfs/dbraw/zinc/06/38/19/1185063819.db2.gz LUIIXTTULQOXQA-LBPRGKRZSA-N 1 2 294.424 1.975 20 30 CDEDLO C=C(C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1cnns1 ZINC001753106099 1185063822 /nfs/dbraw/zinc/06/38/22/1185063822.db2.gz LUIIXTTULQOXQA-LBPRGKRZSA-N 1 2 294.424 1.975 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001753342793 1185162234 /nfs/dbraw/zinc/16/22/34/1185162234.db2.gz XZQLTIRXGPQPFQ-UHFFFAOYSA-N 1 2 292.427 1.188 20 30 CDEDLO C#CCCCCC(=O)NC1C[NH+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC001753374479 1185175045 /nfs/dbraw/zinc/17/50/45/1185175045.db2.gz FUQZZILRCZFBOI-HIFRSBDPSA-N 1 2 278.396 1.548 20 30 CDEDLO C=CCCC(=O)N(C)CC[N@@H+](C)Cc1cc(OC)no1 ZINC001753849679 1185358709 /nfs/dbraw/zinc/35/87/09/1185358709.db2.gz KQMJAKCHDKJYKL-UHFFFAOYSA-N 1 2 281.356 1.540 20 30 CDEDLO C=CCCC(=O)N(C)CC[N@H+](C)Cc1cc(OC)no1 ZINC001753849679 1185358711 /nfs/dbraw/zinc/35/87/11/1185358711.db2.gz KQMJAKCHDKJYKL-UHFFFAOYSA-N 1 2 281.356 1.540 20 30 CDEDLO C=CC[NH2+]C[C@H](NC(=O)c1cncc2nc[nH]c21)C1CC1 ZINC001754440040 1185619196 /nfs/dbraw/zinc/61/91/96/1185619196.db2.gz BLPFUPQKZOKIRM-LBPRGKRZSA-N 1 2 285.351 1.242 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001754581454 1185673630 /nfs/dbraw/zinc/67/36/30/1185673630.db2.gz HEZLBBSYQPQSNY-YOEHRIQHSA-N 1 2 292.423 1.912 20 30 CDEDLO C=C(C)CCC(=O)NC[C@H]1COCC[N@H+]1C[C@H](C)OC ZINC001754967111 1185772960 /nfs/dbraw/zinc/77/29/60/1185772960.db2.gz AYRSMHJUQMGJBD-KBPBESRZSA-N 1 2 284.400 1.195 20 30 CDEDLO C=C(C)CCC(=O)NC[C@H]1COCC[N@@H+]1C[C@H](C)OC ZINC001754967111 1185772964 /nfs/dbraw/zinc/77/29/64/1185772964.db2.gz AYRSMHJUQMGJBD-KBPBESRZSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CCC(CC=C)C(=O)N1CCOC2(C[NH+](CC)C2)C1 ZINC001755052313 1185799308 /nfs/dbraw/zinc/79/93/08/1185799308.db2.gz XDLUWCMHTKHYSM-UHFFFAOYSA-N 1 2 278.396 1.688 20 30 CDEDLO CC[C@@H](C#N)C(=O)N1CC[NH2+][C@@H](c2cccc(OC)c2)C1 ZINC000870155059 1165144299 /nfs/dbraw/zinc/14/42/99/1165144299.db2.gz SDYFPWABYWUDSQ-SWLSCSKDSA-N 1 2 287.363 1.718 20 30 CDEDLO N#CC1CC[NH+](Cc2cc3c(cn2)OCCO3)CC1 ZINC000876652333 1165885996 /nfs/dbraw/zinc/88/59/96/1165885996.db2.gz BAPJXQJZZPOMJG-UHFFFAOYSA-N 1 2 259.309 1.588 20 30 CDEDLO CN(C(=O)Cc1c[nH+]cn1C)c1cccc(C#N)c1 ZINC001626630114 1165948433 /nfs/dbraw/zinc/94/84/33/1165948433.db2.gz RWGVTXMVOMIPSN-UHFFFAOYSA-N 1 2 254.293 1.497 20 30 CDEDLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@H+](CC2(CC#N)CC2)C1 ZINC000879768052 1166409562 /nfs/dbraw/zinc/40/95/62/1166409562.db2.gz UQHMSYIMHMLHJC-LLVKDONJSA-N 1 2 289.301 1.823 20 30 CDEDLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000879768052 1166409563 /nfs/dbraw/zinc/40/95/63/1166409563.db2.gz UQHMSYIMHMLHJC-LLVKDONJSA-N 1 2 289.301 1.823 20 30 CDEDLO CC[C@@H](C)NC(=O)CO[NH+]=C(N)Cc1ccc(OC)cc1 ZINC000193728423 796496366 /nfs/dbraw/zinc/49/63/66/796496366.db2.gz LFANTTCXFHHNTH-LLVKDONJSA-N 1 2 293.367 1.441 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1C1CCC1 ZINC000884117822 796509423 /nfs/dbraw/zinc/50/94/23/796509423.db2.gz NGEAJQDMKUIRFV-STQMWFEESA-N 1 2 280.368 1.224 20 30 CDEDLO Cc1nc(NC[C@@H]2CCCN2C(=O)[C@H](C)C#N)cc[nH+]1 ZINC001064870680 796560894 /nfs/dbraw/zinc/56/08/94/796560894.db2.gz HUQWHNKOBMSZLT-PWSUYJOCSA-N 1 2 273.340 1.348 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(C)(F)F ZINC001018221835 796563214 /nfs/dbraw/zinc/56/32/14/796563214.db2.gz DTJXHXSYXJDMOW-TXEJJXNPSA-N 1 2 284.350 1.976 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(C)(F)F ZINC001018221835 796563220 /nfs/dbraw/zinc/56/32/20/796563220.db2.gz DTJXHXSYXJDMOW-TXEJJXNPSA-N 1 2 284.350 1.976 20 30 CDEDLO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1[nH]nc(C)c1C ZINC001024370689 796658314 /nfs/dbraw/zinc/65/83/14/796658314.db2.gz YBGVXPSJZUVZBG-AWEZNQCLSA-N 1 2 288.395 1.634 20 30 CDEDLO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1[nH]nc(C)c1C ZINC001024370689 796658317 /nfs/dbraw/zinc/65/83/17/796658317.db2.gz YBGVXPSJZUVZBG-AWEZNQCLSA-N 1 2 288.395 1.634 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)C(C)C)CCO2 ZINC001053454015 796704265 /nfs/dbraw/zinc/70/42/65/796704265.db2.gz PVNWTIWZIINVNM-CQSZACIVSA-N 1 2 280.412 1.768 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccccc1OCCF ZINC000819489434 796767449 /nfs/dbraw/zinc/76/74/49/796767449.db2.gz UYKHCUTZJLACQA-ZDUSSCGKSA-N 1 2 295.358 1.653 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccccc1OCCF ZINC000819489434 796767451 /nfs/dbraw/zinc/76/74/51/796767451.db2.gz UYKHCUTZJLACQA-ZDUSSCGKSA-N 1 2 295.358 1.653 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001035477663 796771647 /nfs/dbraw/zinc/77/16/47/796771647.db2.gz IRCOAQSZNXQHAQ-CBBWQLFWSA-N 1 2 278.396 1.426 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001035477663 796771657 /nfs/dbraw/zinc/77/16/57/796771657.db2.gz IRCOAQSZNXQHAQ-CBBWQLFWSA-N 1 2 278.396 1.426 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N([C@H](C)[C@@H](C)CC)C1CC1 ZINC000884128197 796804850 /nfs/dbraw/zinc/80/48/50/796804850.db2.gz WXFNJGJCEKTLCU-SCRDCRAPSA-N 1 2 296.411 1.859 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C(C)(C)c2c(C)noc2C)C1 ZINC001030820189 796810553 /nfs/dbraw/zinc/81/05/53/796810553.db2.gz GWRWGYIAOHNDEM-UHFFFAOYSA-N 1 2 289.379 1.393 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)c1 ZINC001017325429 796825443 /nfs/dbraw/zinc/82/54/43/796825443.db2.gz TZQNUGWGUBBTKP-IYBDPMFKSA-N 1 2 268.360 1.917 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)c1 ZINC001017325429 796825450 /nfs/dbraw/zinc/82/54/50/796825450.db2.gz TZQNUGWGUBBTKP-IYBDPMFKSA-N 1 2 268.360 1.917 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[C@@H]1CCCC[C@H]1C ZINC000884134693 796849785 /nfs/dbraw/zinc/84/97/85/796849785.db2.gz ONXQXKAPMJURQW-RDBSUJKOSA-N 1 2 296.411 1.766 20 30 CDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886815313 796908797 /nfs/dbraw/zinc/90/87/97/796908797.db2.gz BDUMGBPELJKCME-MWLCHTKSSA-N 1 2 281.274 1.351 20 30 CDEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886815313 796908802 /nfs/dbraw/zinc/90/88/02/796908802.db2.gz BDUMGBPELJKCME-MWLCHTKSSA-N 1 2 281.274 1.351 20 30 CDEDLO C=CCn1cccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029337373 796917895 /nfs/dbraw/zinc/91/78/95/796917895.db2.gz DADQWKHBRFSECX-OKILXGFUSA-N 1 2 291.370 1.932 20 30 CDEDLO C=CCn1cccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029337373 796917901 /nfs/dbraw/zinc/91/79/01/796917901.db2.gz DADQWKHBRFSECX-OKILXGFUSA-N 1 2 291.370 1.932 20 30 CDEDLO CC(C)[N@H+](CCS(C)(=O)=O)CC1(CC#N)CC1 ZINC000878296737 796961961 /nfs/dbraw/zinc/96/19/61/796961961.db2.gz LNIBNGQVSAUCGN-UHFFFAOYSA-N 1 2 258.387 1.435 20 30 CDEDLO CC(C)[N@@H+](CCS(C)(=O)=O)CC1(CC#N)CC1 ZINC000878296737 796961983 /nfs/dbraw/zinc/96/19/83/796961983.db2.gz LNIBNGQVSAUCGN-UHFFFAOYSA-N 1 2 258.387 1.435 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1=CCCC1)CO2 ZINC001053773551 797049329 /nfs/dbraw/zinc/04/93/29/797049329.db2.gz JXAZKDLGGROGII-CQSZACIVSA-N 1 2 274.364 1.080 20 30 CDEDLO C=CCOc1cccnc1C(=O)OCCn1cc[nH+]c1 ZINC000775114530 797057324 /nfs/dbraw/zinc/05/73/24/797057324.db2.gz PNHGYKCCGZBJCF-UHFFFAOYSA-N 1 2 273.292 1.700 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2COc3ccccc3O2)C1 ZINC001030375673 797068864 /nfs/dbraw/zinc/06/88/64/797068864.db2.gz HRRKZMGGOLENHO-CYBMUJFWSA-N 1 2 288.347 1.203 20 30 CDEDLO Cn1cc[nH+]c1NN=Cc1cccc(OCC#N)c1 ZINC000790306356 797072307 /nfs/dbraw/zinc/07/23/07/797072307.db2.gz YKNHYHQWQWBHFN-UHFFFAOYSA-N 1 2 255.281 1.768 20 30 CDEDLO C[C@@H](C#N)OCC[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000801941735 797088907 /nfs/dbraw/zinc/08/89/07/797088907.db2.gz VLGYKABTDHUHDY-UWVGGRQHSA-N 1 2 266.345 1.946 20 30 CDEDLO C[C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CCN1CC#N ZINC000947449671 797159518 /nfs/dbraw/zinc/15/95/18/797159518.db2.gz IDSRGXGMHXFCKY-AAEUAGOBSA-N 1 2 297.362 1.669 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC001031132023 797170483 /nfs/dbraw/zinc/17/04/83/797170483.db2.gz ZGYQKTZGALUDLR-UHFFFAOYSA-N 1 2 299.374 1.103 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ncccc2C)C1 ZINC001035326837 797307776 /nfs/dbraw/zinc/30/77/76/797307776.db2.gz ICZMZYOARGJALK-CQSZACIVSA-N 1 2 289.379 1.397 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ncccc2C)C1 ZINC001035326837 797307784 /nfs/dbraw/zinc/30/77/84/797307784.db2.gz ICZMZYOARGJALK-CQSZACIVSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CCN1CCN(C[N@@H+](C)Cc2cccc(C#N)c2)C1=O ZINC000839961477 797398143 /nfs/dbraw/zinc/39/81/43/797398143.db2.gz XDWNKVFFVRSTRK-UHFFFAOYSA-N 1 2 284.363 1.871 20 30 CDEDLO C=CCN1CCN(C[N@H+](C)Cc2cccc(C#N)c2)C1=O ZINC000839961477 797398150 /nfs/dbraw/zinc/39/81/50/797398150.db2.gz XDWNKVFFVRSTRK-UHFFFAOYSA-N 1 2 284.363 1.871 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001043918597 797398819 /nfs/dbraw/zinc/39/88/19/797398819.db2.gz UWRUOKCVJVZIEZ-TZMCWYRMSA-N 1 2 250.386 1.997 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3[nH]ccc3c2)C1 ZINC001043711587 797458721 /nfs/dbraw/zinc/45/87/21/797458721.db2.gz HAYVVWSKRRSIQW-UHFFFAOYSA-N 1 2 281.359 1.947 20 30 CDEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cscc2Cl)C1 ZINC001047418573 797497584 /nfs/dbraw/zinc/49/75/84/797497584.db2.gz VSEHJVTYQAUKAL-RYUDHWBXSA-N 1 2 298.795 1.152 20 30 CDEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cscc2Cl)C1 ZINC001047418573 797497601 /nfs/dbraw/zinc/49/76/01/797497601.db2.gz VSEHJVTYQAUKAL-RYUDHWBXSA-N 1 2 298.795 1.152 20 30 CDEDLO C=CCN(C(=O)C(=O)NCCCCn1cc[nH+]c1)C(C)C ZINC000793723328 797504995 /nfs/dbraw/zinc/50/49/95/797504995.db2.gz HIWBPKTZWDTMCK-UHFFFAOYSA-N 1 2 292.383 1.203 20 30 CDEDLO CC(C)[C@]1(C)NC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853525949 797598586 /nfs/dbraw/zinc/59/85/86/797598586.db2.gz KXLAZSNYFGQOCK-DOMZBBRYSA-N 1 2 292.383 1.536 20 30 CDEDLO CC(C)[C@]1(C)NC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853525949 797598611 /nfs/dbraw/zinc/59/86/11/797598611.db2.gz KXLAZSNYFGQOCK-DOMZBBRYSA-N 1 2 292.383 1.536 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2cccnc21 ZINC001038473600 797632463 /nfs/dbraw/zinc/63/24/63/797632463.db2.gz OIYXPTSCSSWKHV-AWEZNQCLSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2cccnc21 ZINC001038473600 797632488 /nfs/dbraw/zinc/63/24/88/797632488.db2.gz OIYXPTSCSSWKHV-AWEZNQCLSA-N 1 2 279.343 1.672 20 30 CDEDLO CCn1c[nH+]cc1CN=Nc1nc(C)cc(OC)n1 ZINC000841628298 797759821 /nfs/dbraw/zinc/75/98/21/797759821.db2.gz SLHHUUZPKDOTIF-UHFFFAOYSA-N 1 2 260.301 1.456 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(CC2CC2)n1 ZINC001038867565 797764177 /nfs/dbraw/zinc/76/41/77/797764177.db2.gz FKBPYHFBAHLXSQ-LBPRGKRZSA-N 1 2 275.352 1.617 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1coc(CC2CC2)n1 ZINC001038867565 797764197 /nfs/dbraw/zinc/76/41/97/797764197.db2.gz FKBPYHFBAHLXSQ-LBPRGKRZSA-N 1 2 275.352 1.617 20 30 CDEDLO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036829440 797793660 /nfs/dbraw/zinc/79/36/60/797793660.db2.gz FSJVSJPYLDDZLF-HIFRSBDPSA-N 1 2 288.395 1.451 20 30 CDEDLO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036829440 797793672 /nfs/dbraw/zinc/79/36/72/797793672.db2.gz FSJVSJPYLDDZLF-HIFRSBDPSA-N 1 2 288.395 1.451 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccncc2Cl)C1 ZINC001043880979 797817542 /nfs/dbraw/zinc/81/75/42/797817542.db2.gz JYZFQJMQHOABTF-UHFFFAOYSA-N 1 2 279.771 1.606 20 30 CDEDLO CC(C)[NH+]1CC(NC(=O)c2cc(C#N)ccc2F)C1 ZINC000832486452 797872825 /nfs/dbraw/zinc/87/28/25/797872825.db2.gz UIASMPJOQZBLIH-UHFFFAOYSA-N 1 2 261.300 1.520 20 30 CDEDLO CC(=O)c1cncc(C(=O)NC2(C#N)CC[NH+](C)CC2)c1 ZINC000889742699 797874783 /nfs/dbraw/zinc/87/47/83/797874783.db2.gz YGHQPBPGSXQDPC-UHFFFAOYSA-N 1 2 286.335 1.002 20 30 CDEDLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885977354 797880258 /nfs/dbraw/zinc/88/02/58/797880258.db2.gz HNOZOJSNHWYHNH-LBPRGKRZSA-N 1 2 282.384 1.705 20 30 CDEDLO C[N@H+](CC(=O)OC(C)(C)C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885977354 797880260 /nfs/dbraw/zinc/88/02/60/797880260.db2.gz HNOZOJSNHWYHNH-LBPRGKRZSA-N 1 2 282.384 1.705 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C3CC3)n(CC)n2)C1 ZINC001030420075 797883591 /nfs/dbraw/zinc/88/35/91/797883591.db2.gz GSKYBQUCSJZHJF-UHFFFAOYSA-N 1 2 286.379 1.218 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001030878105 797887359 /nfs/dbraw/zinc/88/73/59/797887359.db2.gz IBRQAGXPSJBXDD-OAHLLOKOSA-N 1 2 256.349 1.703 20 30 CDEDLO C#CCC[N@H+]1CCC[C@@H](NC(=O)c2n[nH]c3ccccc32)C1 ZINC001009383116 797953988 /nfs/dbraw/zinc/95/39/88/797953988.db2.gz FLGLFKQMBWHTQZ-CYBMUJFWSA-N 1 2 296.374 1.780 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(F)cc1F ZINC000884069682 798057658 /nfs/dbraw/zinc/05/76/58/798057658.db2.gz LXQFEPYTFGHBRE-LBPRGKRZSA-N 1 2 298.289 1.028 20 30 CDEDLO CCC[N@@H+]1CCCC[C@H]1C(=O)[C@@H](C#N)c1ccncn1 ZINC001649174721 1166759728 /nfs/dbraw/zinc/75/97/28/1166759728.db2.gz OWPXZDHJLZYFAD-JSGCOSHPSA-N 1 2 272.352 1.917 20 30 CDEDLO CCC[N@H+]1CCCC[C@H]1C(=O)[C@@H](C#N)c1ccncn1 ZINC001649174721 1166759734 /nfs/dbraw/zinc/75/97/34/1166759734.db2.gz OWPXZDHJLZYFAD-JSGCOSHPSA-N 1 2 272.352 1.917 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@]23CCO[C@H]2CCCC3)C1 ZINC001030663858 912384860 /nfs/dbraw/zinc/38/48/60/912384860.db2.gz IPMLVOXUIAMUOO-HOCLYGCPSA-N 1 2 276.380 1.159 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1C1Cc2cc(F)c(F)cc2C1 ZINC001173481554 912559731 /nfs/dbraw/zinc/55/97/31/912559731.db2.gz WDGFLPMFAQPLTM-GFCCVEGCSA-N 1 2 263.291 1.229 20 30 CDEDLO CN(C)C(=O)c1nc(C[NH2+]C2CCC(C)(C#N)CC2)no1 ZINC001173584579 912636150 /nfs/dbraw/zinc/63/61/50/912636150.db2.gz BAKXXOUUJFFNKY-UHFFFAOYSA-N 1 2 291.355 1.333 20 30 CDEDLO C[C@H](CCCCNCC#N)NC(=O)CCn1cc[nH+]c1 ZINC001174579707 913218868 /nfs/dbraw/zinc/21/88/68/913218868.db2.gz BJQBEOWDTUHYPN-CYBMUJFWSA-N 1 2 277.372 1.061 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001030990073 913343603 /nfs/dbraw/zinc/34/36/03/913343603.db2.gz WSMIMOMTLFMWCM-UHFFFAOYSA-N 1 2 262.357 1.523 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2cc(C3CC3)no2)C1 ZINC001031034652 913460166 /nfs/dbraw/zinc/46/01/66/913460166.db2.gz ZDSRVRBLEJMCDM-UHFFFAOYSA-N 1 2 261.325 1.542 20 30 CDEDLO C#Cc1cc(Nc2cnc(N)nc2C(F)(F)F)cc[nH+]1 ZINC001175674414 913738867 /nfs/dbraw/zinc/73/88/67/913738867.db2.gz OLEVGBNXJHECBC-UHFFFAOYSA-N 1 2 279.225 1.619 20 30 CDEDLO N#Cc1cc(F)cc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c1 ZINC001139876290 893903050 /nfs/dbraw/zinc/90/30/50/893903050.db2.gz QCMBHADQNYUABP-HNNXBMFYSA-N 1 2 289.310 1.772 20 30 CDEDLO N#Cc1cc(F)cc(C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)c1 ZINC001139876290 893903055 /nfs/dbraw/zinc/90/30/55/893903055.db2.gz QCMBHADQNYUABP-HNNXBMFYSA-N 1 2 289.310 1.772 20 30 CDEDLO CC[C@@H](F)C[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038175399 894571279 /nfs/dbraw/zinc/57/12/79/894571279.db2.gz OQSPSBCSAFTCGK-DGCLKSJQSA-N 1 2 278.331 1.439 20 30 CDEDLO CC[C@@H](F)C[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038175399 894571294 /nfs/dbraw/zinc/57/12/94/894571294.db2.gz OQSPSBCSAFTCGK-DGCLKSJQSA-N 1 2 278.331 1.439 20 30 CDEDLO Cc1cnc(N2CCC(n3cc[nH+]c3)CC2)c(C#N)n1 ZINC001167125721 894657391 /nfs/dbraw/zinc/65/73/91/894657391.db2.gz RZWOWUHBLSJYNY-UHFFFAOYSA-N 1 2 268.324 1.695 20 30 CDEDLO Cc1csc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC000971218713 895795942 /nfs/dbraw/zinc/79/59/42/895795942.db2.gz RBKYZFGGODXZPP-ZYHUDNBSSA-N 1 2 292.408 1.644 20 30 CDEDLO Cc1csc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC000971218713 895795956 /nfs/dbraw/zinc/79/59/56/895795956.db2.gz RBKYZFGGODXZPP-ZYHUDNBSSA-N 1 2 292.408 1.644 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCO[C@@H](C(C)C)C2)C1 ZINC001031208010 914015977 /nfs/dbraw/zinc/01/59/77/914015977.db2.gz QSOMGVGCAHMZQN-UKRRQHHQSA-N 1 2 280.412 1.814 20 30 CDEDLO C=C(C)C(=O)NCCCNc1ccc(CNC(C)=O)c[nH+]1 ZINC001167666446 897308736 /nfs/dbraw/zinc/30/87/36/897308736.db2.gz MMOQVIVBIGZRGC-UHFFFAOYSA-N 1 2 290.367 1.212 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ncccc2OCC=C)C1 ZINC001031231914 914173303 /nfs/dbraw/zinc/17/33/03/914173303.db2.gz QDNKDUMNJREMPG-UHFFFAOYSA-N 1 2 285.347 1.084 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccnnc1 ZINC001024677877 898211525 /nfs/dbraw/zinc/21/15/25/898211525.db2.gz KTZCKMHOHUWKHR-ZDUSSCGKSA-N 1 2 294.786 1.813 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccnnc1 ZINC001024677877 898211539 /nfs/dbraw/zinc/21/15/39/898211539.db2.gz KTZCKMHOHUWKHR-ZDUSSCGKSA-N 1 2 294.786 1.813 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1nc(C)c[nH]1)C1CC1 ZINC001481189413 899092377 /nfs/dbraw/zinc/09/23/77/899092377.db2.gz MQHKEIPEUGHHJW-UHFFFAOYSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1nc(C)c[nH]1)C1CC1 ZINC001481189413 899092394 /nfs/dbraw/zinc/09/23/94/899092394.db2.gz MQHKEIPEUGHHJW-UHFFFAOYSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C[C@H](C)NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444128767 914348269 /nfs/dbraw/zinc/34/82/69/914348269.db2.gz HBNCWSZTBGHAOZ-RYUDHWBXSA-N 1 2 262.357 1.884 20 30 CDEDLO C[C@@H](CNc1ccc(C#N)cn1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001104826036 899551792 /nfs/dbraw/zinc/55/17/92/899551792.db2.gz QGIBVVFDTMOFAB-NSHDSACASA-N 1 2 298.350 1.178 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnc(C)cn1 ZINC001027732359 900776344 /nfs/dbraw/zinc/77/63/44/900776344.db2.gz LOKCKEWUMQWVNN-LBPRGKRZSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnc(C)cn1 ZINC001027732359 900776355 /nfs/dbraw/zinc/77/63/55/900776355.db2.gz LOKCKEWUMQWVNN-LBPRGKRZSA-N 1 2 294.786 1.732 20 30 CDEDLO Cc1ncc(C[N@H+]2CCCN(C(=O)[C@@H](C)C#N)CC2)o1 ZINC000980849753 901129289 /nfs/dbraw/zinc/12/92/89/901129289.db2.gz MVBMCHHQVGILEC-NSHDSACASA-N 1 2 276.340 1.177 20 30 CDEDLO Cc1ncc(C[N@@H+]2CCCN(C(=O)[C@@H](C)C#N)CC2)o1 ZINC000980849753 901129294 /nfs/dbraw/zinc/12/92/94/901129294.db2.gz MVBMCHHQVGILEC-NSHDSACASA-N 1 2 276.340 1.177 20 30 CDEDLO C=C(C)CN(C)c1nnc([C@@H]2CCC[N@@H+]2C)n1CCOC ZINC001343101272 901371542 /nfs/dbraw/zinc/37/15/42/901371542.db2.gz AARUBROQDNQHGF-ZDUSSCGKSA-N 1 2 293.415 1.704 20 30 CDEDLO C=C(C)CN(C)c1nnc([C@@H]2CCC[N@H+]2C)n1CCOC ZINC001343101272 901371549 /nfs/dbraw/zinc/37/15/49/901371549.db2.gz AARUBROQDNQHGF-ZDUSSCGKSA-N 1 2 293.415 1.704 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2=COCCC2)C1 ZINC001010356748 901420741 /nfs/dbraw/zinc/42/07/41/901420741.db2.gz VRRVIWFITUPSHN-GFCCVEGCSA-N 1 2 270.760 1.624 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2=COCCC2)C1 ZINC001010356748 901420747 /nfs/dbraw/zinc/42/07/47/901420747.db2.gz VRRVIWFITUPSHN-GFCCVEGCSA-N 1 2 270.760 1.624 20 30 CDEDLO N#CCC[NH2+]Cc1ccccc1OCC(=O)NCC1CC1 ZINC000425960171 902289464 /nfs/dbraw/zinc/28/94/64/902289464.db2.gz NOXITKVAZKYMLU-UHFFFAOYSA-N 1 2 287.363 1.595 20 30 CDEDLO CN(CC(=O)Nc1ccc(C#N)cc1O)c1cccc[nH+]1 ZINC001177412390 914668137 /nfs/dbraw/zinc/66/81/37/914668137.db2.gz DFQSHNMRGZILPA-UHFFFAOYSA-N 1 2 282.303 1.734 20 30 CDEDLO C#CC[N@@H+](C)C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000985445566 906649228 /nfs/dbraw/zinc/64/92/28/906649228.db2.gz KXUCHHXJKRNNQW-JTQLQIEISA-N 1 2 280.265 1.443 20 30 CDEDLO C#CC[N@H+](C)C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000985445566 906649249 /nfs/dbraw/zinc/64/92/49/906649249.db2.gz KXUCHHXJKRNNQW-JTQLQIEISA-N 1 2 280.265 1.443 20 30 CDEDLO C#CC[N@@H+](C)C1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000985445566 906649259 /nfs/dbraw/zinc/64/92/59/906649259.db2.gz KXUCHHXJKRNNQW-JTQLQIEISA-N 1 2 280.265 1.443 20 30 CDEDLO C#CC[N@H+](C)C1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000985445566 906649267 /nfs/dbraw/zinc/64/92/67/906649267.db2.gz KXUCHHXJKRNNQW-JTQLQIEISA-N 1 2 280.265 1.443 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nncs1 ZINC001128408954 921297207 /nfs/dbraw/zinc/29/72/07/921297207.db2.gz NDTYSDNANZVIDQ-UHFFFAOYSA-N 1 2 254.359 1.100 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(C)=O)[C@H]1C ZINC001088436316 907194510 /nfs/dbraw/zinc/19/45/10/907194510.db2.gz JOQUVGJEAZWYBM-SCZZXKLOSA-N 1 2 261.163 1.494 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(C)=O)[C@H]1C ZINC001088436316 907194512 /nfs/dbraw/zinc/19/45/12/907194512.db2.gz JOQUVGJEAZWYBM-SCZZXKLOSA-N 1 2 261.163 1.494 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2ccc(C#N)cc2C#N)C1 ZINC001229033713 907814985 /nfs/dbraw/zinc/81/49/85/907814985.db2.gz FYTMVMANPJQXFI-CYBMUJFWSA-N 1 2 257.293 1.139 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2ccc(C#N)cc2C#N)C1 ZINC001229033713 907815000 /nfs/dbraw/zinc/81/50/00/907815000.db2.gz FYTMVMANPJQXFI-CYBMUJFWSA-N 1 2 257.293 1.139 20 30 CDEDLO N#Cc1ccc(F)c(-c2noc(C[NH+]3CCC3)n2)c1 ZINC001212093439 908520105 /nfs/dbraw/zinc/52/01/05/908520105.db2.gz VZCAQCQOKLEKKR-UHFFFAOYSA-N 1 2 258.256 1.953 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1Cc2ccccc2O1 ZINC001038481675 909168329 /nfs/dbraw/zinc/16/83/29/909168329.db2.gz VSLRFWIPDQIYMU-GOEBONIOSA-N 1 2 284.359 1.204 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1Cc2ccccc2O1 ZINC001038481675 909168338 /nfs/dbraw/zinc/16/83/38/909168338.db2.gz VSLRFWIPDQIYMU-GOEBONIOSA-N 1 2 284.359 1.204 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCCO2)C1 ZINC001032920448 921490721 /nfs/dbraw/zinc/49/07/21/921490721.db2.gz RFGJUQLHONSXBI-STQMWFEESA-N 1 2 286.803 1.841 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCCO2)C1 ZINC001032920448 921490726 /nfs/dbraw/zinc/49/07/26/921490726.db2.gz RFGJUQLHONSXBI-STQMWFEESA-N 1 2 286.803 1.841 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1nccn12 ZINC001092388563 909385413 /nfs/dbraw/zinc/38/54/13/909385413.db2.gz IXZVYOKYTCKRDL-AVGNSLFASA-N 1 2 286.379 1.297 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccc[nH]3)CC2)C1 ZINC001093505025 909925224 /nfs/dbraw/zinc/92/52/24/909925224.db2.gz AUYZZQVBQCCESU-UHFFFAOYSA-N 1 2 289.379 1.506 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCNc1ccc(C#N)nc1 ZINC001094188990 910398588 /nfs/dbraw/zinc/39/85/88/910398588.db2.gz YAMNNBUNQVBYPQ-NSHDSACASA-N 1 2 298.350 1.083 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCNc1ccc(C#N)nc1 ZINC001094188990 910398604 /nfs/dbraw/zinc/39/86/04/910398604.db2.gz YAMNNBUNQVBYPQ-NSHDSACASA-N 1 2 298.350 1.083 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(C)oc(C)c2C)[C@@H](O)C1 ZINC001083621246 910769103 /nfs/dbraw/zinc/76/91/03/910769103.db2.gz DOULJZDJUNYBMI-KGLIPLIRSA-N 1 2 290.363 1.003 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)oc(C)c2C)[C@@H](O)C1 ZINC001083621246 910769119 /nfs/dbraw/zinc/76/91/19/910769119.db2.gz DOULJZDJUNYBMI-KGLIPLIRSA-N 1 2 290.363 1.003 20 30 CDEDLO C=C(C)CCC(=O)N1CCC(OC2C[NH+](CCO)C2)CC1 ZINC001105709301 910924963 /nfs/dbraw/zinc/92/49/63/910924963.db2.gz FWOVAHZLSDKLIZ-UHFFFAOYSA-N 1 2 296.411 1.027 20 30 CDEDLO C=C[C@@H]1C[C@@]1([NH2+][C@H](C)CCOCC)C(=O)OCC ZINC001172418081 911647204 /nfs/dbraw/zinc/64/72/04/911647204.db2.gz BGMJYSZPFYNTTM-BZPMIXESSA-N 1 2 255.358 1.899 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCC[C@H](F)C2)C1 ZINC001030299295 911664358 /nfs/dbraw/zinc/66/43/58/911664358.db2.gz VCCSFXVVOKZVGV-RYUDHWBXSA-N 1 2 252.333 1.338 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2nsc3ccccc32)C1 ZINC001030365313 911715683 /nfs/dbraw/zinc/71/56/83/911715683.db2.gz VMGJLASPSGCUJX-UHFFFAOYSA-N 1 2 285.372 1.734 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cnn3ccccc23)C1 ZINC001030459056 911864158 /nfs/dbraw/zinc/86/41/58/911864158.db2.gz PNOZRLSZULOPTO-UHFFFAOYSA-N 1 2 284.363 1.253 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001030481425 911911717 /nfs/dbraw/zinc/91/17/17/911911717.db2.gz HBSZSZRGZJKTMA-UHFFFAOYSA-N 1 2 270.336 1.553 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ncn3ccc(C)cc23)C1 ZINC001030581204 912079309 /nfs/dbraw/zinc/07/93/09/912079309.db2.gz UNXRQYBDBJRTHR-UHFFFAOYSA-N 1 2 282.347 1.080 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2nccn2C)C1=O ZINC001272678641 915091034 /nfs/dbraw/zinc/09/10/34/915091034.db2.gz PTTWHTMXCYFXGN-OAHLLOKOSA-N 1 2 274.368 1.173 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2nccn2C)C1=O ZINC001272678641 915091050 /nfs/dbraw/zinc/09/10/50/915091050.db2.gz PTTWHTMXCYFXGN-OAHLLOKOSA-N 1 2 274.368 1.173 20 30 CDEDLO N#Cc1cccc2[nH]nc(NC(=O)CCc3[nH]cc[nH+]3)c21 ZINC001177993648 915114912 /nfs/dbraw/zinc/11/49/12/915114912.db2.gz NRGDOBCIRWEOSR-UHFFFAOYSA-N 1 2 280.291 1.729 20 30 CDEDLO N#Cc1cc[nH]c1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178101329 915169637 /nfs/dbraw/zinc/16/96/37/915169637.db2.gz WCAVLKMZSLXJQP-SNVBAGLBSA-N 1 2 255.281 1.284 20 30 CDEDLO O=C(NC1=CC(=O)CCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001178117713 915182015 /nfs/dbraw/zinc/18/20/15/915182015.db2.gz FGGFNCQBZYYVDZ-JTQLQIEISA-N 1 2 259.309 1.199 20 30 CDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C(F)F)CC1 ZINC001004311629 921755811 /nfs/dbraw/zinc/75/58/11/921755811.db2.gz KORHJLTYJOZKLE-NSHDSACASA-N 1 2 271.311 1.478 20 30 CDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(F)F)CC1 ZINC001004311629 921755822 /nfs/dbraw/zinc/75/58/22/921755822.db2.gz KORHJLTYJOZKLE-NSHDSACASA-N 1 2 271.311 1.478 20 30 CDEDLO C#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCO1 ZINC000775340327 921805611 /nfs/dbraw/zinc/80/56/11/921805611.db2.gz LUHGUKQAUGGRRD-HOTGVXAUSA-N 1 2 295.342 1.783 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]2OC)C1 ZINC001031793306 915888254 /nfs/dbraw/zinc/88/82/54/915888254.db2.gz MUMJEPLLEZAOCC-OLZOCXBDSA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1nccn1C ZINC001272685042 915897411 /nfs/dbraw/zinc/89/74/11/915897411.db2.gz NZJKRANPXKYNKL-ZIAGYGMSSA-N 1 2 288.395 1.562 20 30 CDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1nccn1C ZINC001272685042 915897417 /nfs/dbraw/zinc/89/74/17/915897417.db2.gz NZJKRANPXKYNKL-ZIAGYGMSSA-N 1 2 288.395 1.562 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnco1)O2 ZINC001053636050 936415881 /nfs/dbraw/zinc/41/58/81/936415881.db2.gz UIZRIPLGXFBFPF-GFCCVEGCSA-N 1 2 291.351 1.214 20 30 CDEDLO C=C(C)C[N@@H+](C)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000182622740 917336832 /nfs/dbraw/zinc/33/68/32/917336832.db2.gz BIUSZAZAUWJUNA-UHFFFAOYSA-N 1 2 279.384 1.953 20 30 CDEDLO C=C(C)C[N@H+](C)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000182622740 917336846 /nfs/dbraw/zinc/33/68/46/917336846.db2.gz BIUSZAZAUWJUNA-UHFFFAOYSA-N 1 2 279.384 1.953 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H](F)C2)C1 ZINC001031928368 917365209 /nfs/dbraw/zinc/36/52/09/917365209.db2.gz OFPBASVEPHJBKS-NWDGAFQWSA-N 1 2 274.767 1.925 20 30 CDEDLO Cc1c[nH]c(CCNC(=O)Cc2ccccc2C#N)[nH+]1 ZINC001181802081 917385547 /nfs/dbraw/zinc/38/55/47/917385547.db2.gz AOICFPQBFQYKRE-UHFFFAOYSA-N 1 2 268.320 1.491 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1CC)CO2 ZINC001053932895 936424365 /nfs/dbraw/zinc/42/43/65/936424365.db2.gz CZVYFBYKZPOZSS-MGPQQGTHSA-N 1 2 276.380 1.015 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC12CC2 ZINC001054055065 936426900 /nfs/dbraw/zinc/42/69/00/936426900.db2.gz CVGYLURZMUYJBH-IAGOWNOFSA-N 1 2 294.398 1.963 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC12CC2 ZINC001054055065 936426903 /nfs/dbraw/zinc/42/69/03/936426903.db2.gz CVGYLURZMUYJBH-IAGOWNOFSA-N 1 2 294.398 1.963 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2C[C@]23CCOC3)C1 ZINC001032117124 917789195 /nfs/dbraw/zinc/78/91/95/917789195.db2.gz WMNDYQYIMJKURW-OCCSQVGLSA-N 1 2 284.787 1.214 20 30 CDEDLO N#CCCCCc1cnn(CC[NH+]2CCOCC2)c1 ZINC001250065655 917926092 /nfs/dbraw/zinc/92/60/92/917926092.db2.gz VSXMAYFEMFVAOS-UHFFFAOYSA-N 1 2 262.357 1.452 20 30 CDEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCCCC)nn2)C1 ZINC001107127157 918154560 /nfs/dbraw/zinc/15/45/60/918154560.db2.gz WYHGICZIHHWXQU-UHFFFAOYSA-N 1 2 291.399 1.517 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)Nc1ccc(C#N)cn1 ZINC001097975271 936485361 /nfs/dbraw/zinc/48/53/61/936485361.db2.gz NYSAODXENXSYCU-SNVBAGLBSA-N 1 2 298.350 1.144 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCC)C1 ZINC001107692500 918620460 /nfs/dbraw/zinc/62/04/60/918620460.db2.gz ONMCBTVBQWOCOQ-CQSZACIVSA-N 1 2 252.358 1.017 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCC)C1 ZINC001107692500 918620463 /nfs/dbraw/zinc/62/04/63/918620463.db2.gz ONMCBTVBQWOCOQ-CQSZACIVSA-N 1 2 252.358 1.017 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)c(C)o1 ZINC001032357296 918723459 /nfs/dbraw/zinc/72/34/59/918723459.db2.gz LNWRJIAVEMNBNJ-KBPBESRZSA-N 1 2 272.348 1.818 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)c(C)o1 ZINC001032357296 918723465 /nfs/dbraw/zinc/72/34/65/918723465.db2.gz LNWRJIAVEMNBNJ-KBPBESRZSA-N 1 2 272.348 1.818 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)/C=C(/C)C2CC2)C1 ZINC001107775072 918767576 /nfs/dbraw/zinc/76/75/76/918767576.db2.gz OTBFCPWANKFHAC-DDKJEQMHSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)/C=C(/C)C2CC2)C1 ZINC001107775072 918767588 /nfs/dbraw/zinc/76/75/88/918767588.db2.gz OTBFCPWANKFHAC-DDKJEQMHSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CC2CCOCC2)C1 ZINC001107830243 918844539 /nfs/dbraw/zinc/84/45/39/918844539.db2.gz IIMSNRLBNRRBJX-MRXNPFEDSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CC2CCOCC2)C1 ZINC001107830243 918844553 /nfs/dbraw/zinc/84/45/53/918844553.db2.gz IIMSNRLBNRRBJX-MRXNPFEDSA-N 1 2 296.411 1.196 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)/C=C/C2CC2)C1 ZINC001107840857 918864947 /nfs/dbraw/zinc/86/49/47/918864947.db2.gz CXMNMDGPFGUFEO-WAVCKPEOSA-N 1 2 276.380 1.183 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)/C=C/C2CC2)C1 ZINC001107840857 918864962 /nfs/dbraw/zinc/86/49/62/918864962.db2.gz CXMNMDGPFGUFEO-WAVCKPEOSA-N 1 2 276.380 1.183 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)n2cccc2)C1 ZINC001107874392 918956886 /nfs/dbraw/zinc/95/68/86/918956886.db2.gz OLUABCSAGZIPHN-GDBMZVCRSA-N 1 2 291.395 1.442 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)n2cccc2)C1 ZINC001107874392 918956892 /nfs/dbraw/zinc/95/68/92/918956892.db2.gz OLUABCSAGZIPHN-GDBMZVCRSA-N 1 2 291.395 1.442 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CO[C@@H](C)CC)C1 ZINC001107877764 918964467 /nfs/dbraw/zinc/96/44/67/918964467.db2.gz XMKSZGXJKXUTQZ-ZFWWWQNUSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CO[C@@H](C)CC)C1 ZINC001107877764 918964475 /nfs/dbraw/zinc/96/44/75/918964475.db2.gz XMKSZGXJKXUTQZ-ZFWWWQNUSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2ccc(C)o2)C1 ZINC001107881773 918975966 /nfs/dbraw/zinc/97/59/66/918975966.db2.gz GTMLMQHEAMHAOQ-INIZCTEOSA-N 1 2 292.379 1.524 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2ccc(C)o2)C1 ZINC001107881773 918975980 /nfs/dbraw/zinc/97/59/80/918975980.db2.gz GTMLMQHEAMHAOQ-INIZCTEOSA-N 1 2 292.379 1.524 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC2(CC2)C1 ZINC001032404326 919018246 /nfs/dbraw/zinc/01/82/46/919018246.db2.gz XSZIGUYAHUAQPQ-KKUMJFAQSA-N 1 2 272.392 1.875 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC2(CC2)C1 ZINC001032404326 919018263 /nfs/dbraw/zinc/01/82/63/919018263.db2.gz XSZIGUYAHUAQPQ-KKUMJFAQSA-N 1 2 272.392 1.875 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)CC)C1 ZINC001107901571 919024185 /nfs/dbraw/zinc/02/41/85/919024185.db2.gz SHWPVTJBJRQZPD-GOEBONIOSA-N 1 2 280.412 1.653 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)CC)C1 ZINC001107901571 919024200 /nfs/dbraw/zinc/02/42/00/919024200.db2.gz SHWPVTJBJRQZPD-GOEBONIOSA-N 1 2 280.412 1.653 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc[nH]c2CC)C1 ZINC001107916384 919040585 /nfs/dbraw/zinc/04/05/85/919040585.db2.gz 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921813942 /nfs/dbraw/zinc/81/39/42/921813942.db2.gz FOYZTOPYYLQOQF-MNOVXSKESA-N 1 2 298.795 1.200 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccsc2Cl)[C@@H](O)C1 ZINC001083834896 921828556 /nfs/dbraw/zinc/82/85/56/921828556.db2.gz AAMOJDFUTQYXLD-MNOVXSKESA-N 1 2 298.795 1.200 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccsc2Cl)[C@@H](O)C1 ZINC001083834896 921828567 /nfs/dbraw/zinc/82/85/67/921828567.db2.gz AAMOJDFUTQYXLD-MNOVXSKESA-N 1 2 298.795 1.200 20 30 CDEDLO CCOCc1ncn2c1C[N@H+](Cc1ccc(C#N)nc1)CC2 ZINC001140542828 936722928 /nfs/dbraw/zinc/72/29/28/936722928.db2.gz GIZGOXKSFJJKJL-UHFFFAOYSA-N 1 2 297.362 1.702 20 30 CDEDLO CCOCc1ncn2c1C[N@@H+](Cc1ccc(C#N)nc1)CC2 ZINC001140542828 936722930 /nfs/dbraw/zinc/72/29/30/936722930.db2.gz GIZGOXKSFJJKJL-UHFFFAOYSA-N 1 2 297.362 1.702 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C3CC3)C2)cn1 ZINC001140546659 936723141 /nfs/dbraw/zinc/72/31/41/936723141.db2.gz PFBWOZQWHIROJM-OAHLLOKOSA-N 1 2 284.363 1.444 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CC3)C2)cn1 ZINC001140546659 936723143 /nfs/dbraw/zinc/72/31/43/936723143.db2.gz PFBWOZQWHIROJM-OAHLLOKOSA-N 1 2 284.363 1.444 20 30 CDEDLO C#CC[N@H+]1CCC2(CN(C(=O)c3[nH]nc4ccccc43)C2)C1 ZINC001073400263 936724474 /nfs/dbraw/zinc/72/44/74/936724474.db2.gz USTVLOUYORLTIE-UHFFFAOYSA-N 1 2 294.358 1.344 20 30 CDEDLO C#CC[N@@H+]1CCC2(CN(C(=O)c3[nH]nc4ccccc43)C2)C1 ZINC001073400263 936724476 /nfs/dbraw/zinc/72/44/76/936724476.db2.gz USTVLOUYORLTIE-UHFFFAOYSA-N 1 2 294.358 1.344 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccon1 ZINC001073970793 936732294 /nfs/dbraw/zinc/73/22/94/936732294.db2.gz ZLGDOTOWDCMPHU-TZMCWYRMSA-N 1 2 290.367 1.647 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccon1 ZINC001073970793 936732295 /nfs/dbraw/zinc/73/22/95/936732295.db2.gz ZLGDOTOWDCMPHU-TZMCWYRMSA-N 1 2 290.367 1.647 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CC)C[C@H]21 ZINC001074119862 936733981 /nfs/dbraw/zinc/73/39/81/936733981.db2.gz 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20 30 CDEDLO C#CCC1(C(=O)NCC[NH2+]Cc2nccc(C)n2)CCC1 ZINC001129121505 922925395 /nfs/dbraw/zinc/92/53/95/922925395.db2.gz XWRNFLSVUMZNHV-UHFFFAOYSA-N 1 2 286.379 1.184 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cocc2C)C1 ZINC001035473108 922985362 /nfs/dbraw/zinc/98/53/62/922985362.db2.gz ABJCXFGHPXDHEZ-CYBMUJFWSA-N 1 2 276.336 1.042 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cocc2C)C1 ZINC001035473108 922985373 /nfs/dbraw/zinc/98/53/73/922985373.db2.gz ABJCXFGHPXDHEZ-CYBMUJFWSA-N 1 2 276.336 1.042 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC001035603819 923006470 /nfs/dbraw/zinc/00/64/70/923006470.db2.gz WNCOWLSQTIFJFL-CQSZACIVSA-N 1 2 299.374 1.785 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC001035603819 923006476 /nfs/dbraw/zinc/00/64/76/923006476.db2.gz WNCOWLSQTIFJFL-CQSZACIVSA-N 1 2 299.374 1.785 20 30 CDEDLO C#CCCCS(=O)(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000710286490 923239624 /nfs/dbraw/zinc/23/96/24/923239624.db2.gz 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/nfs/dbraw/zinc/89/97/93/936899793.db2.gz PRNSLMFFWCRUPP-UHFFFAOYSA-N 1 2 267.336 1.949 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)C(CC)CC)CC1 ZINC001194904766 924387451 /nfs/dbraw/zinc/38/74/51/924387451.db2.gz IVFJMTLJMXZFJO-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C(CC)CC)CC1 ZINC001194904766 924387462 /nfs/dbraw/zinc/38/74/62/924387462.db2.gz IVFJMTLJMXZFJO-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC001141738082 936931325 /nfs/dbraw/zinc/93/13/25/936931325.db2.gz UXUWVKBEFRONTE-STQMWFEESA-N 1 2 261.325 1.207 20 30 CDEDLO Cc1nocc1C[N@H+]1CCCN(C(=O)C#CC(C)C)CC1 ZINC001195775222 924728268 /nfs/dbraw/zinc/72/82/68/924728268.db2.gz RBRPBKVJKVLGJJ-UHFFFAOYSA-N 1 2 289.379 1.677 20 30 CDEDLO Cc1nocc1C[N@@H+]1CCCN(C(=O)C#CC(C)C)CC1 ZINC001195775222 924728274 /nfs/dbraw/zinc/72/82/74/924728274.db2.gz RBRPBKVJKVLGJJ-UHFFFAOYSA-N 1 2 289.379 1.677 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O 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925238178 /nfs/dbraw/zinc/23/81/78/925238178.db2.gz TVYVWWHXEWIWKN-COMQUAJESA-N 1 2 296.798 1.308 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3ccon3)[C@H]2C1 ZINC001084904754 925490896 /nfs/dbraw/zinc/49/08/96/925490896.db2.gz ZRUKEPQRUOWDBQ-SCRDCRAPSA-N 1 2 288.351 1.257 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccon3)[C@H]2C1 ZINC001084904754 925490903 /nfs/dbraw/zinc/49/09/03/925490903.db2.gz ZRUKEPQRUOWDBQ-SCRDCRAPSA-N 1 2 288.351 1.257 20 30 CDEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1nnc(C)o1)CC2 ZINC001273792336 925902299 /nfs/dbraw/zinc/90/22/99/925902299.db2.gz PGPAVWDOZWUMPA-GFCCVEGCSA-N 1 2 290.367 1.282 20 30 CDEDLO CN(C[C@H]1CC[N@@H+]1CCF)C(=O)c1cc(C#N)c[nH]1 ZINC001085534554 926124973 /nfs/dbraw/zinc/12/49/73/926124973.db2.gz NVNXMZGVPWUPQP-LLVKDONJSA-N 1 2 264.304 1.002 20 30 CDEDLO CN(C[C@H]1CC[N@H+]1CCF)C(=O)c1cc(C#N)c[nH]1 ZINC001085534554 926124976 /nfs/dbraw/zinc/12/49/76/926124976.db2.gz NVNXMZGVPWUPQP-LLVKDONJSA-N 1 2 264.304 1.002 20 30 CDEDLO 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/nfs/dbraw/zinc/39/82/53/926398253.db2.gz JMMYMRREOBWKCJ-JTQLQIEISA-N 1 2 296.292 1.883 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(F)ccc(F)c1F ZINC001085791480 926398257 /nfs/dbraw/zinc/39/82/57/926398257.db2.gz JMMYMRREOBWKCJ-JTQLQIEISA-N 1 2 296.292 1.883 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc([C@H](C)CC)no1 ZINC001085860352 926458728 /nfs/dbraw/zinc/45/87/28/926458728.db2.gz XBUKBYVQOCNYTQ-CHWSQXEVSA-N 1 2 289.379 1.968 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc([C@H](C)CC)no1 ZINC001085860352 926458733 /nfs/dbraw/zinc/45/87/33/926458733.db2.gz XBUKBYVQOCNYTQ-CHWSQXEVSA-N 1 2 289.379 1.968 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1csc(C)c1 ZINC001085875340 926471375 /nfs/dbraw/zinc/47/13/75/926471375.db2.gz YICAYHJIUHCIHF-CYBMUJFWSA-N 1 2 262.378 1.836 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1csc(C)c1 ZINC001085875340 926471381 /nfs/dbraw/zinc/47/13/81/926471381.db2.gz YICAYHJIUHCIHF-CYBMUJFWSA-N 1 2 262.378 1.836 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C)nc1C1CC1 ZINC001085952402 926538405 /nfs/dbraw/zinc/53/84/05/926538405.db2.gz AYRQWNGWEVHUHY-AWEZNQCLSA-N 1 2 298.390 1.442 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C)nc1C1CC1 ZINC001085952402 926538408 /nfs/dbraw/zinc/53/84/08/926538408.db2.gz AYRQWNGWEVHUHY-AWEZNQCLSA-N 1 2 298.390 1.442 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)nsc1C ZINC001085990189 926574093 /nfs/dbraw/zinc/57/40/93/926574093.db2.gz JQOKMYVDULGING-LBPRGKRZSA-N 1 2 277.393 1.539 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)nsc1C ZINC001085990189 926574098 /nfs/dbraw/zinc/57/40/98/926574098.db2.gz JQOKMYVDULGING-LBPRGKRZSA-N 1 2 277.393 1.539 20 30 CDEDLO Cc1nc(N2CCCC[C@@H](NC(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001102854534 937092920 /nfs/dbraw/zinc/09/29/20/937092920.db2.gz SHKBKDPMHPFIFJ-DGCLKSJQSA-N 1 2 287.367 1.420 20 30 CDEDLO C#CCOc1cc(F)ccc1NC(=O)Cc1c[nH+]cn1C ZINC000776350350 926764954 /nfs/dbraw/zinc/76/49/54/926764954.db2.gz LOZWQUJCYUUSBV-UHFFFAOYSA-N 1 2 287.294 1.752 20 30 CDEDLO Cc1nc(C[NH2+]C[C@@H](C#N)CCC#N)ccc1[C@@H](C)O ZINC000843107991 937113476 /nfs/dbraw/zinc/11/34/76/937113476.db2.gz WPKLLFGQRZIPMN-CHWSQXEVSA-N 1 2 272.352 1.976 20 30 CDEDLO C=CCO[C@H](C)C(=O)NC[C@H](CC)Nc1cc[nH+]c(C)n1 ZINC001103122193 937123679 /nfs/dbraw/zinc/12/36/79/937123679.db2.gz DFFREDIIEDDKMI-YPMHNXCESA-N 1 2 292.383 1.683 20 30 CDEDLO COc1cc(N2CCN(C(=O)C3(C#N)CC3)CC2)cc[nH+]1 ZINC001143176417 937129780 /nfs/dbraw/zinc/12/97/80/937129780.db2.gz DPRMVSMNSVHCGZ-UHFFFAOYSA-N 1 2 286.335 1.043 20 30 CDEDLO C#CCN(C(C)=O)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110617080 927322791 /nfs/dbraw/zinc/32/27/91/927322791.db2.gz BYZPYTFYGZTJQY-UHFFFAOYSA-N 1 2 272.352 1.236 20 30 CDEDLO C#CCOCC[N@H+]1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000851728990 927612640 /nfs/dbraw/zinc/61/26/40/927612640.db2.gz GQSHIPBRQGNNTO-ZDUSSCGKSA-N 1 2 291.347 1.203 20 30 CDEDLO C#CCOCC[N@@H+]1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000851728990 927612643 /nfs/dbraw/zinc/61/26/43/927612643.db2.gz GQSHIPBRQGNNTO-ZDUSSCGKSA-N 1 2 291.347 1.203 20 30 CDEDLO Cc1nc(NC[C@@H](C)CNC(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001103919542 937176406 /nfs/dbraw/zinc/17/64/06/937176406.db2.gz PGVVVTHNOJELJE-SNVBAGLBSA-N 1 2 298.350 1.463 20 30 CDEDLO C=C[C@H](CO)NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000852031416 927694643 /nfs/dbraw/zinc/69/46/43/927694643.db2.gz NDESIPIZRNBNCI-LLVKDONJSA-N 1 2 279.340 1.053 20 30 CDEDLO CSc1nc2c(c(N3CC[NH2+]C[C@@H]3C#N)n1)CCCC2 ZINC001156319919 928039147 /nfs/dbraw/zinc/03/91/47/928039147.db2.gz JHQMIRDNIVBHST-JTQLQIEISA-N 1 2 289.408 1.379 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NCc1cnnn1C ZINC000853630903 928061102 /nfs/dbraw/zinc/06/11/02/928061102.db2.gz WVZLRRDJMWFHSR-UHFFFAOYSA-N 1 2 271.324 1.614 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000854040956 928144759 /nfs/dbraw/zinc/14/47/59/928144759.db2.gz VSRKLZMTJDQNPN-OCCSQVGLSA-N 1 2 271.364 1.602 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000854040956 928144762 /nfs/dbraw/zinc/14/47/62/928144762.db2.gz VSRKLZMTJDQNPN-OCCSQVGLSA-N 1 2 271.364 1.602 20 30 CDEDLO C=C(C)COCCNC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC001150437927 937231222 /nfs/dbraw/zinc/23/12/22/937231222.db2.gz BHQPHUNFZQGDGP-LSDHHAIUSA-N 1 2 298.427 1.585 20 30 CDEDLO C=C(C)COCCNC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC001150437927 937231225 /nfs/dbraw/zinc/23/12/25/937231225.db2.gz BHQPHUNFZQGDGP-LSDHHAIUSA-N 1 2 298.427 1.585 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)C#CC(C)(C)C)[C@@H](C)CO1 ZINC000855406314 928407700 /nfs/dbraw/zinc/40/77/00/928407700.db2.gz CZCCTOHTORLMGI-QWHCGFSZSA-N 1 2 266.385 1.261 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)C#CC(C)(C)C)[C@@H](C)CO1 ZINC000855406314 928407706 /nfs/dbraw/zinc/40/77/06/928407706.db2.gz CZCCTOHTORLMGI-QWHCGFSZSA-N 1 2 266.385 1.261 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C(/C)c2cccs2)CC1 ZINC000857050436 928657034 /nfs/dbraw/zinc/65/70/34/928657034.db2.gz LTXCTJAEJBIUDD-SEYXRHQNSA-N 1 2 274.389 1.929 20 30 CDEDLO C#CCCCCC(=O)N[C@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001108943388 928736922 /nfs/dbraw/zinc/73/69/22/928736922.db2.gz RECMTZVSXXKBPB-CYBMUJFWSA-N 1 2 288.395 1.920 20 30 CDEDLO C#CCCCCCC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857943775 928777487 /nfs/dbraw/zinc/77/74/87/928777487.db2.gz GPQWWNFLRUINFK-CYBMUJFWSA-N 1 2 259.353 1.898 20 30 CDEDLO N#CCc1ccccc1CC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857944767 928777890 /nfs/dbraw/zinc/77/78/90/928777890.db2.gz MVOYZPLMNOZFCW-OAHLLOKOSA-N 1 2 294.358 1.623 20 30 CDEDLO O=C(OCCCn1cc[nH+]c1)c1cccc(C#CCO)c1 ZINC000860076184 929111683 /nfs/dbraw/zinc/11/16/83/929111683.db2.gz PTFGZDDDVFYQKC-UHFFFAOYSA-N 1 2 284.315 1.474 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2oc(C)nc2C)CC1 ZINC001112741926 929367313 /nfs/dbraw/zinc/36/73/13/929367313.db2.gz HCXCOGCHCGOULI-UHFFFAOYSA-N 1 2 293.367 1.252 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccoc2CC)CC1 ZINC001112815454 929453467 /nfs/dbraw/zinc/45/34/67/929453467.db2.gz RDNLXGRHOMURHY-UHFFFAOYSA-N 1 2 292.379 1.802 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+](CCC(F)(F)F)CC1 ZINC001112813785 929454488 /nfs/dbraw/zinc/45/44/88/929454488.db2.gz APNIMUJMOONMEH-LBPRGKRZSA-N 1 2 294.317 1.410 20 30 CDEDLO CC(C)COCC[NH+]1CCN(C(=O)C#CC2CC2)CC1 ZINC001112825069 929466293 /nfs/dbraw/zinc/46/62/93/929466293.db2.gz SIDYQLKWLSFNAM-UHFFFAOYSA-N 1 2 278.396 1.217 20 30 CDEDLO CCCCOCC[NH+]1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001112834551 929470155 /nfs/dbraw/zinc/47/01/55/929470155.db2.gz TWTZVILEZKWQJI-UHFFFAOYSA-N 1 2 294.439 1.997 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[NH2+]Cc1nc(CCC)no1 ZINC001134410465 929734641 /nfs/dbraw/zinc/73/46/41/929734641.db2.gz RKYPVFSKWVXREC-UHFFFAOYSA-N 1 2 294.399 1.830 20 30 CDEDLO CCc1cnc(C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)C#N)o1 ZINC001152449485 937363608 /nfs/dbraw/zinc/36/36/08/937363608.db2.gz BMTQKPZMWUWKON-VXGBXAGGSA-N 1 2 292.383 1.723 20 30 CDEDLO CCc1cnc(C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)C#N)o1 ZINC001152449485 937363609 /nfs/dbraw/zinc/36/36/09/937363609.db2.gz BMTQKPZMWUWKON-VXGBXAGGSA-N 1 2 292.383 1.723 20 30 CDEDLO Cc1cn(C(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCC#N)c[nH+]1 ZINC001134744329 929879821 /nfs/dbraw/zinc/87/98/21/929879821.db2.gz KMENFEOSYDJFKL-VXGBXAGGSA-N 1 2 291.399 1.323 20 30 CDEDLO Cn1nncc1N[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000814979261 929908240 /nfs/dbraw/zinc/90/82/40/929908240.db2.gz DYDDUOBJWKOFKE-UHFFFAOYSA-N 1 2 271.328 1.256 20 30 CDEDLO C#CC1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC000882532236 930031718 /nfs/dbraw/zinc/03/17/18/930031718.db2.gz HYQBEJPCWZMFHL-LBPRGKRZSA-N 1 2 257.337 1.508 20 30 CDEDLO C=C(C)C[C@@H](CO)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000883005988 930121785 /nfs/dbraw/zinc/12/17/85/930121785.db2.gz FXMBLGRQWHEVCV-LBPRGKRZSA-N 1 2 278.356 1.052 20 30 CDEDLO C=C(C)C[C@@H](CO)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000883005988 930121789 /nfs/dbraw/zinc/12/17/89/930121789.db2.gz FXMBLGRQWHEVCV-LBPRGKRZSA-N 1 2 278.356 1.052 20 30 CDEDLO C#CC1(F)CN(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000883174104 930156504 /nfs/dbraw/zinc/15/65/04/930156504.db2.gz BNIYMUCIDHXOHT-UHFFFAOYSA-N 1 2 264.304 1.030 20 30 CDEDLO C[C@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)c1cccc(C#N)c1O ZINC000883396932 930194626 /nfs/dbraw/zinc/19/46/26/930194626.db2.gz ZVXFDICMQYJWMR-SMDDNHRTSA-N 1 2 299.374 1.925 20 30 CDEDLO N#C[C@H]1CC[C@H]([NH2+]c2ccc(N3CCNC(=O)C3)cc2)C1 ZINC000799721421 937394975 /nfs/dbraw/zinc/39/49/75/937394975.db2.gz FYBAEDIYLFLJAW-JSGCOSHPSA-N 1 2 284.363 1.727 20 30 CDEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1nonc1C ZINC001273981724 930369573 /nfs/dbraw/zinc/36/95/73/930369573.db2.gz CLPPNVGRNQCPBN-OAHLLOKOSA-N 1 2 290.367 1.521 20 30 CDEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1nonc1C ZINC001273981724 930369579 /nfs/dbraw/zinc/36/95/79/930369579.db2.gz CLPPNVGRNQCPBN-OAHLLOKOSA-N 1 2 290.367 1.521 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc2c(c1)CCC2 ZINC000884050159 930412241 /nfs/dbraw/zinc/41/22/41/930412241.db2.gz QXQBVOFXZMQHTO-AWEZNQCLSA-N 1 2 288.347 1.560 20 30 CDEDLO C[C@@H]1C[N@H+](CCOC(=O)CC(C)(C)C#N)CCO1 ZINC000800217955 930428058 /nfs/dbraw/zinc/42/80/58/930428058.db2.gz VIXJJPIMWIELJF-LLVKDONJSA-N 1 2 254.330 1.190 20 30 CDEDLO C[C@@H]1C[N@@H+](CCOC(=O)CC(C)(C)C#N)CCO1 ZINC000800217955 930428066 /nfs/dbraw/zinc/42/80/66/930428066.db2.gz VIXJJPIMWIELJF-LLVKDONJSA-N 1 2 254.330 1.190 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N([C@H](C)[C@H](C)CC)C1CC1 ZINC000884128194 930452265 /nfs/dbraw/zinc/45/22/65/930452265.db2.gz WXFNJGJCEKTLCU-BZPMIXESSA-N 1 2 296.411 1.859 20 30 CDEDLO CCOc1ccc2c(c1)C[N@@H+](CC(=O)NCCC#N)CC2 ZINC001115917901 937424573 /nfs/dbraw/zinc/42/45/73/937424573.db2.gz NSCNGTIAIKTASO-UHFFFAOYSA-N 1 2 287.363 1.473 20 30 CDEDLO CCOc1ccc2c(c1)C[N@H+](CC(=O)NCCC#N)CC2 ZINC001115917901 937424575 /nfs/dbraw/zinc/42/45/75/937424575.db2.gz NSCNGTIAIKTASO-UHFFFAOYSA-N 1 2 287.363 1.473 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CCCC12CC2 ZINC000884447148 930568264 /nfs/dbraw/zinc/56/82/64/930568264.db2.gz MPIOGUAQPNEGTB-NEPJUHHUSA-N 1 2 280.368 1.130 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC(C)(C)CC ZINC000884454315 930569266 /nfs/dbraw/zinc/56/92/66/930569266.db2.gz KPOCZJUGDNZRKF-NSHDSACASA-N 1 2 270.373 1.376 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](Nc2nnc(C(F)F)o2)C1 ZINC000884611557 930606314 /nfs/dbraw/zinc/60/63/14/930606314.db2.gz OSXFDGGDHMCLRM-QMMMGPOBSA-N 1 2 256.256 1.517 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](Nc2nnc(C(F)F)o2)C1 ZINC000884611557 930606317 /nfs/dbraw/zinc/60/63/17/930606317.db2.gz OSXFDGGDHMCLRM-QMMMGPOBSA-N 1 2 256.256 1.517 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(C)c2)C1 ZINC000885513930 930730537 /nfs/dbraw/zinc/73/05/37/930730537.db2.gz KDSVNJVWWOURMP-AWEZNQCLSA-N 1 2 292.404 1.371 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(C)c2)C1 ZINC000885513930 930730542 /nfs/dbraw/zinc/73/05/42/930730542.db2.gz KDSVNJVWWOURMP-AWEZNQCLSA-N 1 2 292.404 1.371 20 30 CDEDLO C=CC[N@H+](C[C@@H]1CC[C@H](C2CC2)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000886064766 930797039 /nfs/dbraw/zinc/79/70/39/930797039.db2.gz IBWDNGSIROBJIZ-QLFBSQMISA-N 1 2 299.436 1.619 20 30 CDEDLO C=CC[N@@H+](C[C@@H]1CC[C@H](C2CC2)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000886064766 930797045 /nfs/dbraw/zinc/79/70/45/930797045.db2.gz IBWDNGSIROBJIZ-QLFBSQMISA-N 1 2 299.436 1.619 20 30 CDEDLO CCOC(=O)[C@H](CC1CC1)[NH2+]C[C@@H](O)CC1(C#N)CCC1 ZINC000886314275 930856864 /nfs/dbraw/zinc/85/68/64/930856864.db2.gz RMCQIEMQSPITFO-KBPBESRZSA-N 1 2 294.395 1.753 20 30 CDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886690545 930940472 /nfs/dbraw/zinc/94/04/72/930940472.db2.gz XSDVDHZPOQMKCC-CHWSQXEVSA-N 1 2 275.352 1.774 20 30 CDEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886690545 930940478 /nfs/dbraw/zinc/94/04/78/930940478.db2.gz XSDVDHZPOQMKCC-CHWSQXEVSA-N 1 2 275.352 1.774 20 30 CDEDLO COC(=O)c1ccc(OC)c(C[NH+]2CC(CC#N)C2)c1 ZINC001137241975 931049416 /nfs/dbraw/zinc/04/94/16/931049416.db2.gz JTCYBEICELYDGQ-UHFFFAOYSA-N 1 2 274.320 1.827 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2CC(=O)OC(C)C ZINC001274061756 931153150 /nfs/dbraw/zinc/15/31/50/931153150.db2.gz LUVSZOKGXVGGDC-MRXNPFEDSA-N 1 2 292.379 1.028 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC(=O)OC(C)C ZINC001274061756 931153154 /nfs/dbraw/zinc/15/31/54/931153154.db2.gz LUVSZOKGXVGGDC-MRXNPFEDSA-N 1 2 292.379 1.028 20 30 CDEDLO N#Cc1csc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)n1 ZINC000887977809 931268687 /nfs/dbraw/zinc/26/86/87/931268687.db2.gz WPCOFZMGYOAQIU-VIFPVBQESA-N 1 2 287.348 1.090 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(C#N)ccn2)C1=O ZINC001274579287 931510752 /nfs/dbraw/zinc/51/07/52/931510752.db2.gz ILXJHVGNNCCKSV-QGZVFWFLSA-N 1 2 294.358 1.153 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cc(C#N)ccn2)C1=O ZINC001274579287 931510754 /nfs/dbraw/zinc/51/07/54/931510754.db2.gz ILXJHVGNNCCKSV-QGZVFWFLSA-N 1 2 294.358 1.153 20 30 CDEDLO C#C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000843968659 931524248 /nfs/dbraw/zinc/52/42/48/931524248.db2.gz YTFLQRSRHAEEBJ-CABCVRRESA-N 1 2 279.343 1.936 20 30 CDEDLO C=C(C)CN1C(=O)COCC12CN(c1cccc[nH+]1)C2 ZINC001274740548 931564627 /nfs/dbraw/zinc/56/46/27/931564627.db2.gz XHMLGIDBPKKSEO-UHFFFAOYSA-N 1 2 273.336 1.075 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171116317 931573647 /nfs/dbraw/zinc/57/36/47/931573647.db2.gz NHZFXCXEBSBHSF-LSDHHAIUSA-N 1 2 275.783 1.995 20 30 CDEDLO C[N@@H+]1CCC12CN(C(=O)c1cc(Cl)cc(C#N)c1)C2 ZINC001275770071 932013405 /nfs/dbraw/zinc/01/34/05/932013405.db2.gz WPVZJMBNLMIEKA-UHFFFAOYSA-N 1 2 275.739 1.742 20 30 CDEDLO C[N@H+]1CCC12CN(C(=O)c1cc(Cl)cc(C#N)c1)C2 ZINC001275770071 932013414 /nfs/dbraw/zinc/01/34/14/932013414.db2.gz WPVZJMBNLMIEKA-UHFFFAOYSA-N 1 2 275.739 1.742 20 30 CDEDLO Cc1c[nH+]c(NC[C@H]2CCNC(=O)C2)c(/C=N/O)c1 ZINC001154933910 937607246 /nfs/dbraw/zinc/60/72/46/937607246.db2.gz MSSYRLGNKYRUCO-JVDJPWEPSA-N 1 2 262.313 1.136 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)C#Cc1cccs1 ZINC000928644852 933168656 /nfs/dbraw/zinc/16/86/56/933168656.db2.gz ACGOWROXSSXLPS-CYBMUJFWSA-N 1 2 292.404 1.327 20 30 CDEDLO N#CC1(CCCC[NH+]2CCS(=O)CC2)CCC1 ZINC000929616376 933249558 /nfs/dbraw/zinc/24/95/58/933249558.db2.gz SAAMOJKEGTVQNH-UHFFFAOYSA-N 1 2 254.399 1.915 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1sccc1C#N ZINC000931846464 933630974 /nfs/dbraw/zinc/63/09/74/933630974.db2.gz UUWIPPNEXBVJNI-SNVBAGLBSA-N 1 2 294.380 1.462 20 30 CDEDLO C=CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)[O-] ZINC001119536823 937729512 /nfs/dbraw/zinc/72/95/12/937729512.db2.gz RWBYNOLFTIOXPN-KBPBESRZSA-N 1 2 282.384 1.249 20 30 CDEDLO C#CCC[C@@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935806881 934136232 /nfs/dbraw/zinc/13/62/32/934136232.db2.gz DUSSEFALYAIBOI-LLVKDONJSA-N 1 2 257.293 1.067 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001114724849 934941969 /nfs/dbraw/zinc/94/19/69/934941969.db2.gz UMSCYNFBZNFNKH-SCUASFONSA-N 1 2 290.367 1.218 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001114724849 934941973 /nfs/dbraw/zinc/94/19/73/934941973.db2.gz UMSCYNFBZNFNKH-SCUASFONSA-N 1 2 290.367 1.218 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001114792352 934968124 /nfs/dbraw/zinc/96/81/24/934968124.db2.gz RKPHPLNVXKFWGG-UKTARXLSSA-N 1 2 290.367 1.218 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001114792352 934968129 /nfs/dbraw/zinc/96/81/29/934968129.db2.gz RKPHPLNVXKFWGG-UKTARXLSSA-N 1 2 290.367 1.218 20 30 CDEDLO Cc1nc(NCCC[C@H](C)NC(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001114873299 935241336 /nfs/dbraw/zinc/24/13/36/935241336.db2.gz ZVJOQUIBGHKWSD-QWRGUYRKSA-N 1 2 275.356 1.642 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001006874260 935368709 /nfs/dbraw/zinc/36/87/09/935368709.db2.gz KQSJFUOJZMXQSD-LBPRGKRZSA-N 1 2 277.393 1.669 20 30 CDEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001006874260 935368714 /nfs/dbraw/zinc/36/87/14/935368714.db2.gz KQSJFUOJZMXQSD-LBPRGKRZSA-N 1 2 277.393 1.669 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccns2)C1 ZINC001007449903 935380970 /nfs/dbraw/zinc/38/09/70/935380970.db2.gz QCQSCXSNSNVEBB-LLVKDONJSA-N 1 2 263.366 1.361 20 30 CDEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccns2)C1 ZINC001007449903 935380976 /nfs/dbraw/zinc/38/09/76/935380976.db2.gz QCQSCXSNSNVEBB-LLVKDONJSA-N 1 2 263.366 1.361 20 30 CDEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC001008963546 935416750 /nfs/dbraw/zinc/41/67/50/935416750.db2.gz VXIOOAMIWWFPKB-GFCCVEGCSA-N 1 2 284.363 1.943 20 30 CDEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC001008963546 935416754 /nfs/dbraw/zinc/41/67/54/935416754.db2.gz VXIOOAMIWWFPKB-GFCCVEGCSA-N 1 2 284.363 1.943 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001010253191 935449642 /nfs/dbraw/zinc/44/96/42/935449642.db2.gz XPMLLBPDAJSAME-RYUDHWBXSA-N 1 2 272.776 1.499 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001010253191 935449645 /nfs/dbraw/zinc/44/96/45/935449645.db2.gz XPMLLBPDAJSAME-RYUDHWBXSA-N 1 2 272.776 1.499 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+]Cc1nc(C)cs1 ZINC000381396994 935606463 /nfs/dbraw/zinc/60/64/63/935606463.db2.gz PVMJNOVSASXKEE-UHFFFAOYSA-N 1 2 260.384 1.142 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCOC1 ZINC001017402594 935637299 /nfs/dbraw/zinc/63/72/99/935637299.db2.gz XTXDLJXPYFCQNS-SOUVJXGZSA-N 1 2 276.380 1.112 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCOC1 ZINC001017402594 935637302 /nfs/dbraw/zinc/63/73/02/935637302.db2.gz XTXDLJXPYFCQNS-SOUVJXGZSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)=C1CCC1 ZINC001017541728 935642561 /nfs/dbraw/zinc/64/25/61/935642561.db2.gz FAYJTROIOLLJEV-GASCZTMLSA-N 1 2 258.365 1.795 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)=C1CCC1 ZINC001017541728 935642564 /nfs/dbraw/zinc/64/25/64/935642564.db2.gz FAYJTROIOLLJEV-GASCZTMLSA-N 1 2 258.365 1.795 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(F)(F)F ZINC001017807815 935650588 /nfs/dbraw/zinc/65/05/88/935650588.db2.gz CSEGPAGOFZLAPL-SDDRHHMPSA-N 1 2 288.313 1.883 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(F)(F)F ZINC001017807815 935650590 /nfs/dbraw/zinc/65/05/90/935650590.db2.gz CSEGPAGOFZLAPL-SDDRHHMPSA-N 1 2 288.313 1.883 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nocc1C ZINC001018146176 935661858 /nfs/dbraw/zinc/66/18/58/935661858.db2.gz DYWBMUBQZPXJGH-TXEJJXNPSA-N 1 2 261.325 1.458 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nocc1C ZINC001018146176 935661860 /nfs/dbraw/zinc/66/18/60/935661860.db2.gz DYWBMUBQZPXJGH-TXEJJXNPSA-N 1 2 261.325 1.458 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1cccnc1 ZINC001018187920 935662457 /nfs/dbraw/zinc/66/24/57/935662457.db2.gz VHZJQFHGNICHNZ-BMFZPTHFSA-N 1 2 283.375 1.494 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1cccnc1 ZINC001018187920 935662462 /nfs/dbraw/zinc/66/24/62/935662462.db2.gz VHZJQFHGNICHNZ-BMFZPTHFSA-N 1 2 283.375 1.494 20 30 CDEDLO CC[C@H](F)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038174768 935736535 /nfs/dbraw/zinc/73/65/35/935736535.db2.gz VIXNHXXAAOMNQF-CMPLNLGQSA-N 1 2 278.331 1.439 20 30 CDEDLO CC[C@H](F)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038174768 935736538 /nfs/dbraw/zinc/73/65/38/935736538.db2.gz VIXNHXXAAOMNQF-CMPLNLGQSA-N 1 2 278.331 1.439 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1[nH]cnc1C(C)(C)C ZINC001038274893 935739964 /nfs/dbraw/zinc/73/99/64/935739964.db2.gz YORDAUOLQDNMJJ-GFCCVEGCSA-N 1 2 288.395 1.535 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1[nH]cnc1C(C)(C)C ZINC001038274893 935739967 /nfs/dbraw/zinc/73/99/67/935739967.db2.gz YORDAUOLQDNMJJ-GFCCVEGCSA-N 1 2 288.395 1.535 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2cccn2cn1 ZINC001038397792 935743455 /nfs/dbraw/zinc/74/34/55/935743455.db2.gz KECKAFFQIDHVEL-AWEZNQCLSA-N 1 2 282.347 1.162 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2cccn2cn1 ZINC001038397792 935743456 /nfs/dbraw/zinc/74/34/56/935743456.db2.gz KECKAFFQIDHVEL-AWEZNQCLSA-N 1 2 282.347 1.162 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(-c2cccnc2)on1 ZINC001038654452 935751441 /nfs/dbraw/zinc/75/14/41/935751441.db2.gz LINJCKOQIJPXOE-CYBMUJFWSA-N 1 2 296.330 1.174 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(-c2cccnc2)on1 ZINC001038654452 935751443 /nfs/dbraw/zinc/75/14/43/935751443.db2.gz LINJCKOQIJPXOE-CYBMUJFWSA-N 1 2 296.330 1.174 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1nc(C)ncc1Cl ZINC001038772826 935757286 /nfs/dbraw/zinc/75/72/86/935757286.db2.gz NKVWWCLFLMCJPZ-NSHDSACASA-N 1 2 292.770 1.266 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1nc(C)ncc1Cl ZINC001038772826 935757288 /nfs/dbraw/zinc/75/72/88/935757288.db2.gz NKVWWCLFLMCJPZ-NSHDSACASA-N 1 2 292.770 1.266 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2ccccc2O1 ZINC001038820755 935757489 /nfs/dbraw/zinc/75/74/89/935757489.db2.gz MFOGNLHUDZKJFH-GDBMZVCRSA-N 1 2 284.359 1.204 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2ccccc2O1 ZINC001038820755 935757491 /nfs/dbraw/zinc/75/74/91/935757491.db2.gz MFOGNLHUDZKJFH-GDBMZVCRSA-N 1 2 284.359 1.204 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(-c2cn[nH]c2)cc1 ZINC001038807038 935757704 /nfs/dbraw/zinc/75/77/04/935757704.db2.gz UFSCYTQXFUKFJX-MRXNPFEDSA-N 1 2 294.358 1.514 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(-c2cn[nH]c2)cc1 ZINC001038807038 935757705 /nfs/dbraw/zinc/75/77/05/935757705.db2.gz UFSCYTQXFUKFJX-MRXNPFEDSA-N 1 2 294.358 1.514 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1csc(Cl)n1 ZINC001038890073 935761307 /nfs/dbraw/zinc/76/13/07/935761307.db2.gz FDRQLVBUBFUORS-QMMMGPOBSA-N 1 2 269.757 1.234 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1csc(Cl)n1 ZINC001038890073 935761308 /nfs/dbraw/zinc/76/13/08/935761308.db2.gz FDRQLVBUBFUORS-QMMMGPOBSA-N 1 2 269.757 1.234 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(F)cccc1F ZINC001038949459 935762997 /nfs/dbraw/zinc/76/29/97/935762997.db2.gz GDGLNERUSGLLCP-SNVBAGLBSA-N 1 2 264.275 1.402 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(F)cccc1F ZINC001038949459 935762998 /nfs/dbraw/zinc/76/29/98/935762998.db2.gz GDGLNERUSGLLCP-SNVBAGLBSA-N 1 2 264.275 1.402 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2coc(CC)n2)C1 ZINC001042640427 935825636 /nfs/dbraw/zinc/82/56/36/935825636.db2.gz STZZLFUTGZGSIK-UHFFFAOYSA-N 1 2 261.325 1.017 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCN(c3ccccc3)C2)C1 ZINC001043047936 935832342 /nfs/dbraw/zinc/83/23/42/935832342.db2.gz CRIZIANDIHHMBH-OAHLLOKOSA-N 1 2 299.418 1.842 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnc(Cl)n2C)C1 ZINC001043338794 935837023 /nfs/dbraw/zinc/83/70/23/935837023.db2.gz LOOUWYHOFZMOPT-UHFFFAOYSA-N 1 2 282.775 1.406 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2(c3cccnc3)CC2)C1 ZINC001043610576 935841294 /nfs/dbraw/zinc/84/12/94/935841294.db2.gz XMRMBLXPBSBGBR-UHFFFAOYSA-N 1 2 285.391 1.832 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2ccc(OC)cc2)C1 ZINC001044223989 935854442 /nfs/dbraw/zinc/85/44/42/935854442.db2.gz IPUBFSKAKZDNRG-UHFFFAOYSA-N 1 2 288.391 1.956 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2n[nH]c3ccccc32)C1 ZINC001044253221 935855370 /nfs/dbraw/zinc/85/53/70/935855370.db2.gz XLCXBVBUTITBLM-UHFFFAOYSA-N 1 2 282.347 1.342 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc3nccnc3c2)C1 ZINC001044271276 935856210 /nfs/dbraw/zinc/85/62/10/935856210.db2.gz BSJGOZGVNLHJOM-UHFFFAOYSA-N 1 2 296.374 1.962 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H](C)n2nc(C)cc2C)C1 ZINC001044362198 935857983 /nfs/dbraw/zinc/85/79/83/935857983.db2.gz SHAPTPMURRZTPU-CQSZACIVSA-N 1 2 288.395 1.227 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCC[C@H]2OC)C1 ZINC001044356584 935858389 /nfs/dbraw/zinc/85/83/89/935858389.db2.gz XRFJLLDTWCUQBQ-LSDHHAIUSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001046828203 935976793 /nfs/dbraw/zinc/97/67/93/935976793.db2.gz YZMQMEGDLZVATI-MRXNPFEDSA-N 1 2 299.378 1.728 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001046828203 935976794 /nfs/dbraw/zinc/97/67/94/935976794.db2.gz YZMQMEGDLZVATI-MRXNPFEDSA-N 1 2 299.378 1.728 20 30 CDEDLO C#CCCCC(=O)N[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001096176244 935997173 /nfs/dbraw/zinc/99/71/73/935997173.db2.gz ZALPEVSQQLRIET-AWEZNQCLSA-N 1 2 286.379 1.674 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCOC1)C2 ZINC001096860406 936229536 /nfs/dbraw/zinc/22/95/36/936229536.db2.gz YFEVROBWKXKSES-LOWDOPEQSA-N 1 2 284.787 1.497 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCOC1)C2 ZINC001096860406 936229540 /nfs/dbraw/zinc/22/95/40/936229540.db2.gz YFEVROBWKXKSES-LOWDOPEQSA-N 1 2 284.787 1.497 20 30 CDEDLO Cc1cc(Cl)c(C)nc1N1CC[NH2+]C[C@@H]1C#N ZINC001156327828 938350245 /nfs/dbraw/zinc/35/02/45/938350245.db2.gz NZXSTMQXAJUXGY-JTQLQIEISA-N 1 2 250.733 1.654 20 30 CDEDLO Cn1c[nH+]c(CCNC(=O)c2cc3cc(C#N)ccc3[nH]2)c1 ZINC001156462038 938370465 /nfs/dbraw/zinc/37/04/65/938370465.db2.gz HRTVXBIGVQLVGT-UHFFFAOYSA-N 1 2 293.330 1.746 20 30 CDEDLO N#CCc1cc[nH+]c(NC2CC3(C2)CS(=O)(=O)C3)c1 ZINC001157423579 938490651 /nfs/dbraw/zinc/49/06/51/938490651.db2.gz KLCVTQMCTAPYRP-UHFFFAOYSA-N 1 2 277.349 1.137 20 30 CDEDLO Cc1cnc(N[C@@H]2CCC[N@@H+](C3COC3)C2)c(C#N)c1 ZINC001157580903 938515382 /nfs/dbraw/zinc/51/53/82/938515382.db2.gz OIZYXFWDDAHAAD-CYBMUJFWSA-N 1 2 272.352 1.537 20 30 CDEDLO Cc1cnc(N[C@@H]2CCC[N@H+](C3COC3)C2)c(C#N)c1 ZINC001157580903 938515383 /nfs/dbraw/zinc/51/53/83/938515383.db2.gz OIZYXFWDDAHAAD-CYBMUJFWSA-N 1 2 272.352 1.537 20 30 CDEDLO N#Cc1cnc(N[C@H]2CCC[C@@H]2[NH+]2CCOCC2)c(C#N)c1 ZINC001160725168 938820508 /nfs/dbraw/zinc/82/05/08/938820508.db2.gz SKJAVEITXFNISH-GJZGRUSLSA-N 1 2 297.362 1.490 20 30 CDEDLO COC(=O)[C@H]1C[C@@H]1CNc1[nH+]cc(C)cc1/C=N/O ZINC001161044837 938864326 /nfs/dbraw/zinc/86/43/26/938864326.db2.gz WVESYQWLFNCRRN-SLLWVLFHSA-N 1 2 263.297 1.419 20 30 CDEDLO COc1ccc(NCCCn2cc[nH+]c2)nc1CC#N ZINC001161682024 938919675 /nfs/dbraw/zinc/91/96/75/938919675.db2.gz IPGDIPPTLJEUJX-UHFFFAOYSA-N 1 2 271.324 1.855 20 30 CDEDLO N#Cc1cccc(NS(=O)(=O)c2ccc(C[NH3+])cc2)n1 ZINC001161747966 938929442 /nfs/dbraw/zinc/92/94/42/938929442.db2.gz AQPITHQNMOVHKT-UHFFFAOYSA-N 1 2 288.332 1.213 20 30 CDEDLO N#Cc1c[nH]c2cc[nH+]c(NC3=CC(=O)NCC3)c12 ZINC001162649185 939108866 /nfs/dbraw/zinc/10/88/66/939108866.db2.gz ZYRYDCVXMQFURU-UHFFFAOYSA-N 1 2 253.265 1.250 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2cccc(CC#N)c2F)C[NH2+]1 ZINC001164305490 939449731 /nfs/dbraw/zinc/44/97/31/939449731.db2.gz XUXVLMULAQKRFJ-JQWIXIFHSA-N 1 2 277.299 1.207 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2ccc(CC#N)cc2C)C[NH2+]1 ZINC001164308416 939450803 /nfs/dbraw/zinc/45/08/03/939450803.db2.gz JCOZQVKCNBELKU-JSGCOSHPSA-N 1 2 273.336 1.377 20 30 CDEDLO Cn1cc2c(n1)CC[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC001203904940 939713220 /nfs/dbraw/zinc/71/32/20/939713220.db2.gz KOWJWUVNITZREX-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO Cn1cc2c(n1)CC[N@H+](Cc1ccc(C#N)cc1)C2 ZINC001203904940 939713222 /nfs/dbraw/zinc/71/32/22/939713222.db2.gz KOWJWUVNITZREX-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2cccnc2)CC1 ZINC001204077421 939730274 /nfs/dbraw/zinc/73/02/74/939730274.db2.gz TZBUKFKVGYJWGY-UHFFFAOYSA-N 1 2 259.309 1.360 20 30 CDEDLO N#CCNCC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001205521554 939895584 /nfs/dbraw/zinc/89/55/84/939895584.db2.gz BBGRURAJTTXYNS-UHFFFAOYSA-N 1 2 297.362 1.528 20 30 CDEDLO CN1C[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3O)[C@@H]2C1 ZINC001276494571 940096320 /nfs/dbraw/zinc/09/63/20/940096320.db2.gz VXVMUQLXAJIQPS-GXTWGEPZSA-N 1 2 257.337 1.400 20 30 CDEDLO CN1C[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3O)[C@@H]2C1 ZINC001276494571 940096321 /nfs/dbraw/zinc/09/63/21/940096321.db2.gz VXVMUQLXAJIQPS-GXTWGEPZSA-N 1 2 257.337 1.400 20 30 CDEDLO C[N@@H+]1C[C@@H]2CCN(Cc3ccc(C#N)cc3O)[C@@H]2C1 ZINC001276494571 940096325 /nfs/dbraw/zinc/09/63/25/940096325.db2.gz VXVMUQLXAJIQPS-GXTWGEPZSA-N 1 2 257.337 1.400 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nocc2C)C[C@H]1C ZINC001206913565 940110536 /nfs/dbraw/zinc/11/05/36/940110536.db2.gz PUZRHCIMBNLQJW-TZMCWYRMSA-N 1 2 289.379 1.723 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2nocc2C)C[C@H]1C ZINC001206913565 940110538 /nfs/dbraw/zinc/11/05/38/940110538.db2.gz PUZRHCIMBNLQJW-TZMCWYRMSA-N 1 2 289.379 1.723 20 30 CDEDLO CC[N@H+](CCC#N)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC001208967714 940414736 /nfs/dbraw/zinc/41/47/36/940414736.db2.gz FGYBTAUDONNSKK-ZDUSSCGKSA-N 1 2 297.399 1.858 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC001208967714 940414740 /nfs/dbraw/zinc/41/47/40/940414740.db2.gz FGYBTAUDONNSKK-ZDUSSCGKSA-N 1 2 297.399 1.858 20 30 CDEDLO CCOC(=O)CC[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001209034249 940428091 /nfs/dbraw/zinc/42/80/91/940428091.db2.gz HPOAYLIFAOAVPM-JTQLQIEISA-N 1 2 255.339 1.214 20 30 CDEDLO CCOC(=O)CC[N@H+]1CCC2SC(=O)C=C2C1 ZINC001209034249 940428092 /nfs/dbraw/zinc/42/80/92/940428092.db2.gz HPOAYLIFAOAVPM-JTQLQIEISA-N 1 2 255.339 1.214 20 30 CDEDLO CCOC(=O)CC[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001209034249 940428095 /nfs/dbraw/zinc/42/80/95/940428095.db2.gz HPOAYLIFAOAVPM-JTQLQIEISA-N 1 2 255.339 1.214 20 30 CDEDLO CCOC(=O)CC[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001209034249 940428097 /nfs/dbraw/zinc/42/80/97/940428097.db2.gz HPOAYLIFAOAVPM-JTQLQIEISA-N 1 2 255.339 1.214 20 30 CDEDLO C=CCCCCCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)OCC ZINC001209435562 940589785 /nfs/dbraw/zinc/58/97/85/940589785.db2.gz FDJKJJFSDXGWSX-AWEZNQCLSA-N 1 2 296.411 1.877 20 30 CDEDLO C=CCCCCCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)OCC ZINC001209435562 940589786 /nfs/dbraw/zinc/58/97/86/940589786.db2.gz FDJKJJFSDXGWSX-AWEZNQCLSA-N 1 2 296.411 1.877 20 30 CDEDLO N#Cc1cc(Nc2ccc(N3CC[C@H](O)C3)[nH+]c2)ccc1N ZINC001213433857 940775029 /nfs/dbraw/zinc/77/50/29/940775029.db2.gz OOELFTBPGJRIOZ-AWEZNQCLSA-N 1 2 295.346 1.850 20 30 CDEDLO C=C1CC[NH2+]C[C@@H]1Oc1[nH]c(=O)nc2cccc(OC)c21 ZINC001218206214 941043833 /nfs/dbraw/zinc/04/38/33/941043833.db2.gz JSXFMRBYMMLWBB-LBPRGKRZSA-N 1 2 287.319 1.641 20 30 CDEDLO CCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001219103020 941308132 /nfs/dbraw/zinc/30/81/32/941308132.db2.gz LHKJWUNIKXHOAR-CABCVRRESA-N 1 2 287.363 1.020 20 30 CDEDLO CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001219103020 941308133 /nfs/dbraw/zinc/30/81/33/941308133.db2.gz LHKJWUNIKXHOAR-CABCVRRESA-N 1 2 287.363 1.020 20 30 CDEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccn(C)n3)C[C@H]21 ZINC001221424410 941534895 /nfs/dbraw/zinc/53/48/95/941534895.db2.gz DWIRVVICSCTSMA-UKRRQHHQSA-N 1 2 288.395 1.419 20 30 CDEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](Cc3ccn(C)n3)C[C@H]21 ZINC001221424410 941534899 /nfs/dbraw/zinc/53/48/99/941534899.db2.gz DWIRVVICSCTSMA-UKRRQHHQSA-N 1 2 288.395 1.419 20 30 CDEDLO N#CC1(NC(=O)[C@]23C[C@H]2CC[N@@H+]3Cc2ccccn2)CCC1 ZINC001277070663 941911446 /nfs/dbraw/zinc/91/14/46/941911446.db2.gz VGWFASVQDAIHHD-DYVFJYSZSA-N 1 2 296.374 1.608 20 30 CDEDLO N#CC1(NC(=O)[C@]23C[C@H]2CC[N@H+]3Cc2ccccn2)CCC1 ZINC001277070663 941911450 /nfs/dbraw/zinc/91/14/50/941911450.db2.gz VGWFASVQDAIHHD-DYVFJYSZSA-N 1 2 296.374 1.608 20 30 CDEDLO Cc1ccc2[nH]c(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@H+]4C)nc2c1 ZINC001226509148 942017404 /nfs/dbraw/zinc/01/74/04/942017404.db2.gz TYVBHWRHBVDRHW-BSRWDCPYSA-N 1 2 285.347 1.863 20 30 CDEDLO Cc1ccc2[nH]c(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@@H+]4C)nc2c1 ZINC001226509148 942017406 /nfs/dbraw/zinc/01/74/06/942017406.db2.gz TYVBHWRHBVDRHW-BSRWDCPYSA-N 1 2 285.347 1.863 20 30 CDEDLO Cc1ccc2nc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@H+]4C)[nH]c2c1 ZINC001226509148 942017409 /nfs/dbraw/zinc/01/74/09/942017409.db2.gz TYVBHWRHBVDRHW-BSRWDCPYSA-N 1 2 285.347 1.863 20 30 CDEDLO Cc1ccc2nc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@@H+]4C)[nH]c2c1 ZINC001226509148 942017412 /nfs/dbraw/zinc/01/74/12/942017412.db2.gz TYVBHWRHBVDRHW-BSRWDCPYSA-N 1 2 285.347 1.863 20 30 CDEDLO Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)n1 ZINC001226647661 942041506 /nfs/dbraw/zinc/04/15/06/942041506.db2.gz CZAKMDJNBXAMAN-NXEZZACHSA-N 1 2 291.355 1.179 20 30 CDEDLO COc1c(F)ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1F ZINC001227889855 942241318 /nfs/dbraw/zinc/24/13/18/942241318.db2.gz NYUAFBCVUKUJEL-QWQQTTKASA-N 1 2 297.301 1.965 20 30 CDEDLO COc1c(F)ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1F ZINC001227889855 942241322 /nfs/dbraw/zinc/24/13/22/942241322.db2.gz NYUAFBCVUKUJEL-QWQQTTKASA-N 1 2 297.301 1.965 20 30 CDEDLO COc1cc2c(cc1O[C@H]1CCN(CC#N)C1)C=[NH+]CC2 ZINC001228088932 942266733 /nfs/dbraw/zinc/26/67/33/942266733.db2.gz GOPPRNQDMRWMAT-AWEZNQCLSA-N 1 2 285.347 1.647 20 30 CDEDLO CCOc1cccnc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001229153605 942426625 /nfs/dbraw/zinc/42/66/25/942426625.db2.gz BDQQPBKKQUTHOE-GQTXGERZSA-N 1 2 276.336 1.472 20 30 CDEDLO CCOc1cccnc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001229153605 942426628 /nfs/dbraw/zinc/42/66/28/942426628.db2.gz BDQQPBKKQUTHOE-GQTXGERZSA-N 1 2 276.336 1.472 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C(F)(F)F ZINC001316608793 942544055 /nfs/dbraw/zinc/54/40/55/942544055.db2.gz ZHSOHPTYTXFCDH-SNVBAGLBSA-N 1 2 276.302 1.741 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C(F)(F)F ZINC001316608793 942544058 /nfs/dbraw/zinc/54/40/58/942544058.db2.gz ZHSOHPTYTXFCDH-SNVBAGLBSA-N 1 2 276.302 1.741 20 30 CDEDLO COC[C@H](C)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230533397 942633115 /nfs/dbraw/zinc/63/31/15/942633115.db2.gz LSHJDRWHVUYAIQ-DZGCQCFKSA-N 1 2 293.411 1.495 20 30 CDEDLO COC[C@H](C)C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001230533397 942633117 /nfs/dbraw/zinc/63/31/17/942633117.db2.gz LSHJDRWHVUYAIQ-DZGCQCFKSA-N 1 2 293.411 1.495 20 30 CDEDLO C=CCOCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230538016 942634830 /nfs/dbraw/zinc/63/48/30/942634830.db2.gz NTGYVIKKBNFNTL-HNNXBMFYSA-N 1 2 291.395 1.416 20 30 CDEDLO C=CCOCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001230538016 942634833 /nfs/dbraw/zinc/63/48/33/942634833.db2.gz NTGYVIKKBNFNTL-HNNXBMFYSA-N 1 2 291.395 1.416 20 30 CDEDLO Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)c(C#N)c1 ZINC001232967753 943447778 /nfs/dbraw/zinc/44/77/78/943447778.db2.gz URXZYZRWHMCGIQ-HNNXBMFYSA-N 1 2 271.364 1.919 20 30 CDEDLO Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)c(C#N)c1 ZINC001232967753 943447782 /nfs/dbraw/zinc/44/77/82/943447782.db2.gz URXZYZRWHMCGIQ-HNNXBMFYSA-N 1 2 271.364 1.919 20 30 CDEDLO N#Cc1cc[nH]c1C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC001233047233 943474373 /nfs/dbraw/zinc/47/43/73/943474373.db2.gz SMRFLKARDGCKIB-UHFFFAOYSA-N 1 2 286.379 1.721 20 30 CDEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC001233048766 943475856 /nfs/dbraw/zinc/47/58/56/943475856.db2.gz MIHTWRIZVKAZNH-ZDUSSCGKSA-N 1 2 268.320 1.935 20 30 CDEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@H](Oc2ccccn2)C1 ZINC001233048766 943475860 /nfs/dbraw/zinc/47/58/60/943475860.db2.gz MIHTWRIZVKAZNH-ZDUSSCGKSA-N 1 2 268.320 1.935 20 30 CDEDLO C=CCn1cnn(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1=S ZINC001332323432 943905640 /nfs/dbraw/zinc/90/56/40/943905640.db2.gz CGGZUZMQEBEOTI-NEPJUHHUSA-N 1 2 280.397 1.668 20 30 CDEDLO C=CCn1cnn(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1=S ZINC001332323432 943905647 /nfs/dbraw/zinc/90/56/47/943905647.db2.gz CGGZUZMQEBEOTI-NEPJUHHUSA-N 1 2 280.397 1.668 20 30 CDEDLO N#Cc1cc(C[N@H+]2CC3CC2(C(=O)N2CCCC2)C3)ccn1 ZINC001237464673 944794981 /nfs/dbraw/zinc/79/49/81/944794981.db2.gz QFTFKIWHUOEXRH-UHFFFAOYSA-N 1 2 296.374 1.540 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CC3CC2(C(=O)N2CCCC2)C3)ccn1 ZINC001237464673 944794987 /nfs/dbraw/zinc/79/49/87/944794987.db2.gz QFTFKIWHUOEXRH-UHFFFAOYSA-N 1 2 296.374 1.540 20 30 CDEDLO COC[C@@H]1Cn2ccnc2C[N@H+](Cc2ccnc(C#N)c2)C1 ZINC001237462672 944796417 /nfs/dbraw/zinc/79/64/17/944796417.db2.gz ISYQUWVWBUYRBP-AWEZNQCLSA-N 1 2 297.362 1.428 20 30 CDEDLO COC[C@@H]1Cn2ccnc2C[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC001237462672 944796423 /nfs/dbraw/zinc/79/64/23/944796423.db2.gz ISYQUWVWBUYRBP-AWEZNQCLSA-N 1 2 297.362 1.428 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3cc(C#N)c(F)cc3F)C[C@H]21 ZINC001237523707 944822144 /nfs/dbraw/zinc/82/21/44/944822144.db2.gz CCHFIPVNQQSOKY-CABCVRRESA-N 1 2 293.317 1.351 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3cc(C#N)c(F)cc3F)C[C@H]21 ZINC001237523707 944822163 /nfs/dbraw/zinc/82/21/63/944822163.db2.gz CCHFIPVNQQSOKY-CABCVRRESA-N 1 2 293.317 1.351 20 30 CDEDLO N#Cc1nccnc1-c1cccc(C[NH+]2CCOCC2)c1 ZINC001241814364 946481827 /nfs/dbraw/zinc/48/18/27/946481827.db2.gz GOHBLTDQGIGBDU-UHFFFAOYSA-N 1 2 280.331 1.847 20 30 CDEDLO CCC[N@H+](C[C@H](O)CC#N)[C@H](CC)C(=O)OCC ZINC001262273678 946557168 /nfs/dbraw/zinc/55/71/68/946557168.db2.gz FDCZEIJGRNKCFV-VXGBXAGGSA-N 1 2 256.346 1.315 20 30 CDEDLO CCC[N@@H+](C[C@H](O)CC#N)[C@H](CC)C(=O)OCC ZINC001262273678 946557176 /nfs/dbraw/zinc/55/71/76/946557176.db2.gz FDCZEIJGRNKCFV-VXGBXAGGSA-N 1 2 256.346 1.315 20 30 CDEDLO C[C@@H]1C[C@H](C(=O)NC2(C#N)CC[NH+](C)CC2)CCC1=O ZINC001254145256 947303603 /nfs/dbraw/zinc/30/36/03/947303603.db2.gz RBBITEJLNZDARS-VXGBXAGGSA-N 1 2 277.368 1.096 20 30 CDEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCN(C3CCOCC3)C(=O)C2)C1 ZINC001254671459 947586623 /nfs/dbraw/zinc/58/66/23/947586623.db2.gz RWRJEXAPYMZVPB-OCCSQVGLSA-N 1 2 277.368 1.002 20 30 CDEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCN(C3CCOCC3)C(=O)C2)C1 ZINC001254671459 947586629 /nfs/dbraw/zinc/58/66/29/947586629.db2.gz RWRJEXAPYMZVPB-OCCSQVGLSA-N 1 2 277.368 1.002 20 30 CDEDLO Cc1cc(-c2cc3nc[nH]c3c(C#N)n2)c[nH+]c1N ZINC001245535970 947726105 /nfs/dbraw/zinc/72/61/05/947726105.db2.gz JERDXRWYUNFACP-UHFFFAOYSA-N 1 2 250.265 1.782 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CCc2nnc(Cn3cccn3)n2CC1 ZINC001255172070 947764640 /nfs/dbraw/zinc/76/46/40/947764640.db2.gz INKUBMCIRNBRQC-ZDUSSCGKSA-N 1 2 299.382 1.073 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CCc2nnc(Cn3cccn3)n2CC1 ZINC001255172070 947764644 /nfs/dbraw/zinc/76/46/44/947764644.db2.gz INKUBMCIRNBRQC-ZDUSSCGKSA-N 1 2 299.382 1.073 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H](NC(=O)c2ccncc2)C1 ZINC001255176414 947766812 /nfs/dbraw/zinc/76/68/12/947766812.db2.gz BDAOARBQGQIMOM-CABCVRRESA-N 1 2 286.379 1.968 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@@H](NC(=O)c2ccncc2)C1 ZINC001255176414 947766821 /nfs/dbraw/zinc/76/68/21/947766821.db2.gz BDAOARBQGQIMOM-CABCVRRESA-N 1 2 286.379 1.968 20 30 CDEDLO C=CC[C@@H]([NH2+][C@@H]1CCC[C@H](C(=O)OCC)C1)C(=O)OC ZINC001255347938 947832658 /nfs/dbraw/zinc/83/26/58/947832658.db2.gz HDZJLSFXRUJKQR-YNEHKIRRSA-N 1 2 283.368 1.816 20 30 CDEDLO COC(=O)[C@H]1C[C@H]([NH2+]CCC#N)CN1C(=O)OC(C)(C)C ZINC001256249282 948261062 /nfs/dbraw/zinc/26/10/62/948261062.db2.gz YWNSBBVDCFGNOB-WDEREUQCSA-N 1 2 297.355 1.041 20 30 CDEDLO N#C[C@@H]1CN([C@H]2CCC[N@@H+](C3CCCC3)C2)CCC1=O ZINC001256921353 948458920 /nfs/dbraw/zinc/45/89/20/948458920.db2.gz ZAXQBZUJINYAIP-HIFRSBDPSA-N 1 2 275.396 1.808 20 30 CDEDLO N#C[C@@H]1CN([C@H]2CCC[N@H+](C3CCCC3)C2)CCC1=O ZINC001256921353 948458923 /nfs/dbraw/zinc/45/89/23/948458923.db2.gz ZAXQBZUJINYAIP-HIFRSBDPSA-N 1 2 275.396 1.808 20 30 CDEDLO C=CCC1(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CCCC1 ZINC001479915562 971484924 /nfs/dbraw/zinc/48/49/24/971484924.db2.gz BNDXZXAEXKSCCI-CYBMUJFWSA-N 1 2 293.411 1.189 20 30 CDEDLO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CCCC1 ZINC001479915562 971484925 /nfs/dbraw/zinc/48/49/25/971484925.db2.gz BNDXZXAEXKSCCI-CYBMUJFWSA-N 1 2 293.411 1.189 20 30 CDEDLO C#CC[C@@H]([NH3+])c1nc(-c2ccc3c(c2)CCC3=O)no1 ZINC001247609629 948678891 /nfs/dbraw/zinc/67/88/91/948678891.db2.gz LYKSDHAOVLHRLU-GFCCVEGCSA-N 1 2 267.288 1.889 20 30 CDEDLO C[N@@H+]1CCO[C@H](c2nc(-c3cc(C#N)ccc3F)no2)C1 ZINC001248229531 948984476 /nfs/dbraw/zinc/98/44/76/948984476.db2.gz PTNLAVODORGWCB-LBPRGKRZSA-N 1 2 288.282 1.750 20 30 CDEDLO C[N@H+]1CCO[C@H](c2nc(-c3cc(C#N)ccc3F)no2)C1 ZINC001248229531 948984482 /nfs/dbraw/zinc/98/44/82/948984482.db2.gz PTNLAVODORGWCB-LBPRGKRZSA-N 1 2 288.282 1.750 20 30 CDEDLO C[C@H](O)C[NH2+]CC(F)(F)C(F)(F)C(F)(F)F ZINC001251969007 951015375 /nfs/dbraw/zinc/01/53/75/951015375.db2.gz QCBLQBOSQGROIH-BYPYZUCNSA-N 1 2 257.149 1.790 20 30 CDEDLO C=CCOC[C@@H](O)C[N@H+]1CCc2cnc(SC)nc2C1 ZINC001252473924 951327508 /nfs/dbraw/zinc/32/75/08/951327508.db2.gz SIUIBTUVSNOMRX-LBPRGKRZSA-N 1 2 295.408 1.120 20 30 CDEDLO C=CCOC[C@@H](O)C[N@@H+]1CCc2cnc(SC)nc2C1 ZINC001252473924 951327519 /nfs/dbraw/zinc/32/75/19/951327519.db2.gz SIUIBTUVSNOMRX-LBPRGKRZSA-N 1 2 295.408 1.120 20 30 CDEDLO C=C[C@@](C)(O)C[NH2+]C1(C(=O)OCC)CCCCC1 ZINC001252582341 951475939 /nfs/dbraw/zinc/47/59/39/951475939.db2.gz PRHKCPVMFXLLQL-CYBMUJFWSA-N 1 2 255.358 1.779 20 30 CDEDLO C#CC[N@H+](CC1CC1)CN1C(=O)N[C@H](CC(C)C)C1=O ZINC001253580135 951968155 /nfs/dbraw/zinc/96/81/55/951968155.db2.gz RGFXIIJMQBWGOT-CYBMUJFWSA-N 1 2 277.368 1.256 20 30 CDEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)N[C@H](CC(C)C)C1=O ZINC001253580135 951968159 /nfs/dbraw/zinc/96/81/59/951968159.db2.gz RGFXIIJMQBWGOT-CYBMUJFWSA-N 1 2 277.368 1.256 20 30 CDEDLO C=C[C@H](O)C[NH2+]C1(C(=O)OC)CCC(CC)CC1 ZINC001253608511 951993997 /nfs/dbraw/zinc/99/39/97/951993997.db2.gz LVRSZICSUTXEBB-LXVYMNJGSA-N 1 2 255.358 1.635 20 30 CDEDLO CCOC(=O)c1cnn2cc(C[NH2+]C[C@@H](C)C#N)cnc12 ZINC001364666508 954993249 /nfs/dbraw/zinc/99/32/49/954993249.db2.gz SIIAAXOYCQARCY-JTQLQIEISA-N 1 2 287.323 1.155 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC001364714194 955076764 /nfs/dbraw/zinc/07/67/64/955076764.db2.gz MCQLWAAWHCELLV-VIFPVBQESA-N 1 2 294.273 1.078 20 30 CDEDLO C=C(C)CN(C)C(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001328962405 955582433 /nfs/dbraw/zinc/58/24/33/955582433.db2.gz JXEDRGKXKMBGSP-LBPRGKRZSA-N 1 2 290.367 1.150 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnn2cccnc12 ZINC001492365826 955832716 /nfs/dbraw/zinc/83/27/16/955832716.db2.gz FJMHASNEJCYYOL-UHFFFAOYSA-N 1 2 293.758 1.143 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnn2cccnc12 ZINC001492365826 955832724 /nfs/dbraw/zinc/83/27/24/955832724.db2.gz FJMHASNEJCYYOL-UHFFFAOYSA-N 1 2 293.758 1.143 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccn[nH]1 ZINC001317475687 956621472 /nfs/dbraw/zinc/62/14/72/956621472.db2.gz AEWJSANRYUXQCT-UHFFFAOYSA-N 1 2 256.737 1.214 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccn[nH]1 ZINC001317475687 956621481 /nfs/dbraw/zinc/62/14/81/956621481.db2.gz AEWJSANRYUXQCT-UHFFFAOYSA-N 1 2 256.737 1.214 20 30 CDEDLO Cc1ccc(NCC[N@H+]2CCOC[C@H]2C)c(C#N)n1 ZINC001330804408 956639826 /nfs/dbraw/zinc/63/98/26/956639826.db2.gz AJKOTBJERDWDQT-GFCCVEGCSA-N 1 2 260.341 1.394 20 30 CDEDLO Cc1ccc(NCC[N@@H+]2CCOC[C@H]2C)c(C#N)n1 ZINC001330804408 956639832 /nfs/dbraw/zinc/63/98/32/956639832.db2.gz AJKOTBJERDWDQT-GFCCVEGCSA-N 1 2 260.341 1.394 20 30 CDEDLO C=C[C@@H](COC)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001332078896 957426563 /nfs/dbraw/zinc/42/65/63/957426563.db2.gz NGFWOEGIQSHPCM-GXFFZTMASA-N 1 2 278.356 1.107 20 30 CDEDLO C=C[C@@H](COC)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001332078896 957426566 /nfs/dbraw/zinc/42/65/66/957426566.db2.gz NGFWOEGIQSHPCM-GXFFZTMASA-N 1 2 278.356 1.107 20 30 CDEDLO C[C@H](Nc1cc(C#N)sc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC001334173197 958901530 /nfs/dbraw/zinc/90/15/30/958901530.db2.gz QSFFDWZPIXBAIA-KWQFWETISA-N 1 2 296.352 1.659 20 30 CDEDLO C[C@H](Nc1cc(C#N)sc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC001334173197 958901542 /nfs/dbraw/zinc/90/15/42/958901542.db2.gz QSFFDWZPIXBAIA-KWQFWETISA-N 1 2 296.352 1.659 20 30 CDEDLO C=CCN(CC(=O)OCC)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001320076329 958923134 /nfs/dbraw/zinc/92/31/34/958923134.db2.gz KIJXDSUMRMCVCY-LLVKDONJSA-N 1 2 265.313 1.022 20 30 CDEDLO C=C[C@@H](COC)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC001320294624 959053575 /nfs/dbraw/zinc/05/35/75/959053575.db2.gz OWHYJUHDLPLGKO-LBPRGKRZSA-N 1 2 274.324 1.335 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ncc(OC)cn1 ZINC001368964723 959330579 /nfs/dbraw/zinc/33/05/79/959330579.db2.gz QNYAXYZRXLNVJK-JTQLQIEISA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ncc(OC)cn1 ZINC001368964723 959330594 /nfs/dbraw/zinc/33/05/94/959330594.db2.gz QNYAXYZRXLNVJK-JTQLQIEISA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)C[C@H]1CCOC1)C1CC1 ZINC001418751196 960983367 /nfs/dbraw/zinc/98/33/67/960983367.db2.gz PIFYZLKZMQXSIQ-GFCCVEGCSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)C[C@H]1CCOC1)C1CC1 ZINC001418751196 960983380 /nfs/dbraw/zinc/98/33/80/960983380.db2.gz PIFYZLKZMQXSIQ-GFCCVEGCSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C[C@H](COC)NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC001324033021 961122893 /nfs/dbraw/zinc/12/28/93/961122893.db2.gz VWFYSOPUVINCGZ-BFHYXJOUSA-N 1 2 292.383 1.677 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@]2(C)CCOC2)C1 ZINC001419037858 961291704 /nfs/dbraw/zinc/29/17/04/961291704.db2.gz ZSRDNRVXLXQKGX-CYBMUJFWSA-N 1 2 272.776 1.214 20 30 CDEDLO C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC[N@@H+]2C)n1C ZINC001338121478 961644270 /nfs/dbraw/zinc/64/42/70/961644270.db2.gz XBCSDDDGDNYCGQ-WDEREUQCSA-N 1 2 262.361 1.178 20 30 CDEDLO C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC[N@H+]2C)n1C ZINC001338121478 961644281 /nfs/dbraw/zinc/64/42/81/961644281.db2.gz XBCSDDDGDNYCGQ-WDEREUQCSA-N 1 2 262.361 1.178 20 30 CDEDLO C=C(C)CCC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC001338804027 962003896 /nfs/dbraw/zinc/00/38/96/962003896.db2.gz CDSADFCFXHNZEX-OAHLLOKOSA-N 1 2 298.452 1.667 20 30 CDEDLO C=C1CCN(c2nnc(Cc3[nH+]ccn3C)n2C)CC1 ZINC001339426265 962356524 /nfs/dbraw/zinc/35/65/24/962356524.db2.gz JHUWZKAYDBLHIH-UHFFFAOYSA-N 1 2 272.356 1.296 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001420217142 962594696 /nfs/dbraw/zinc/59/46/96/962594696.db2.gz FPHZVSKPFXSIAR-UONOGXRCSA-N 1 2 293.798 1.986 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001420217142 962594699 /nfs/dbraw/zinc/59/46/99/962594699.db2.gz FPHZVSKPFXSIAR-UONOGXRCSA-N 1 2 293.798 1.986 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)c2cc(C)co2)C1 ZINC001421392928 963589303 /nfs/dbraw/zinc/58/93/03/963589303.db2.gz YYWWMGVDKVXDJU-AWEZNQCLSA-N 1 2 298.770 1.507 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(C)co2)C1 ZINC001421392928 963589304 /nfs/dbraw/zinc/58/93/04/963589304.db2.gz YYWWMGVDKVXDJU-AWEZNQCLSA-N 1 2 298.770 1.507 20 30 CDEDLO CC(C)CC[N@@H+](CCC#N)CCOC(=O)N(C)C ZINC001342337508 963714110 /nfs/dbraw/zinc/71/41/10/963714110.db2.gz IEOIKAPJACQEJX-UHFFFAOYSA-N 1 2 255.362 1.946 20 30 CDEDLO CC(C)CC[N@H+](CCC#N)CCOC(=O)N(C)C ZINC001342337508 963714117 /nfs/dbraw/zinc/71/41/17/963714117.db2.gz IEOIKAPJACQEJX-UHFFFAOYSA-N 1 2 255.362 1.946 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCn1ccccc1=O ZINC001442413154 965047040 /nfs/dbraw/zinc/04/70/40/965047040.db2.gz WICJQCSICOWBAV-UHFFFAOYSA-N 1 2 297.786 1.039 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCn1ccccc1=O ZINC001442413154 965047050 /nfs/dbraw/zinc/04/70/50/965047050.db2.gz WICJQCSICOWBAV-UHFFFAOYSA-N 1 2 297.786 1.039 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C1=CCOCC1 ZINC001445711752 966298778 /nfs/dbraw/zinc/29/87/78/966298778.db2.gz NONSRJGTOPYYLA-LLVKDONJSA-N 1 2 272.776 1.522 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C1=CCOCC1 ZINC001445711752 966298787 /nfs/dbraw/zinc/29/87/87/966298787.db2.gz NONSRJGTOPYYLA-LLVKDONJSA-N 1 2 272.776 1.522 20 30 CDEDLO C#C[C@H](C)NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001350542554 966691575 /nfs/dbraw/zinc/69/15/75/966691575.db2.gz DZVHTPDGZNVRRG-STQMWFEESA-N 1 2 274.368 1.406 20 30 CDEDLO Cn1cc(C#N)cc1C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001548593938 967620978 /nfs/dbraw/zinc/62/09/78/967620978.db2.gz OYXBUAOKSIEZKV-UHFFFAOYSA-N 1 2 272.308 1.685 20 30 CDEDLO C=CCNC(=S)N1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001200289423 967845653 /nfs/dbraw/zinc/84/56/53/967845653.db2.gz TXKUDYFSGLXEFO-UHFFFAOYSA-N 1 2 275.368 1.462 20 30 CDEDLO C=CC[NH2+]C[C@@H]1CN(C(=O)C(F)C(F)(F)F)CCCO1 ZINC001200555200 968459567 /nfs/dbraw/zinc/45/95/67/968459567.db2.gz PCKRATMKXRQNEB-ZJUUUORDSA-N 1 2 298.280 1.280 20 30 CDEDLO C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)CCCO1 ZINC001200555200 968459571 /nfs/dbraw/zinc/45/95/71/968459571.db2.gz PCKRATMKXRQNEB-ZJUUUORDSA-N 1 2 298.280 1.280 20 30 CDEDLO C=CC[NH+]1CCN(C(=S)NCc2ccco2)CC1 ZINC001200561381 968473335 /nfs/dbraw/zinc/47/33/35/968473335.db2.gz RRTATJXQOMKJOL-UHFFFAOYSA-N 1 2 265.382 1.458 20 30 CDEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCOCC1 ZINC001355929502 969298881 /nfs/dbraw/zinc/29/88/81/969298881.db2.gz KLCVQBAFVVYGCP-CYBMUJFWSA-N 1 2 291.399 1.458 20 30 CDEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCOCC1 ZINC001355929502 969298887 /nfs/dbraw/zinc/29/88/87/969298887.db2.gz KLCVQBAFVVYGCP-CYBMUJFWSA-N 1 2 291.399 1.458 20 30 CDEDLO C#CCN(CC)c1nnc(C[NH+]2CCCCC2)n1CC=C ZINC001355941104 969299954 /nfs/dbraw/zinc/29/99/54/969299954.db2.gz BSIGRGHWHIGANS-UHFFFAOYSA-N 1 2 287.411 1.910 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001520992647 970253970 /nfs/dbraw/zinc/25/39/70/970253970.db2.gz TURDVWYQDQOPHH-OAHLLOKOSA-N 1 2 277.368 1.453 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCC1CCOCC1 ZINC001418502196 973907890 /nfs/dbraw/zinc/90/78/90/973907890.db2.gz JIYRULRSYUIXGK-UHFFFAOYSA-N 1 2 288.819 1.994 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCC1CCOCC1 ZINC001418502196 973907895 /nfs/dbraw/zinc/90/78/95/973907895.db2.gz JIYRULRSYUIXGK-UHFFFAOYSA-N 1 2 288.819 1.994 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1nonc1C ZINC001506029249 975091748 /nfs/dbraw/zinc/09/17/48/975091748.db2.gz FDEMSBSBWVUZJL-VIFPVBQESA-N 1 2 286.763 1.110 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1nonc1C ZINC001506029249 975091752 /nfs/dbraw/zinc/09/17/52/975091752.db2.gz FDEMSBSBWVUZJL-VIFPVBQESA-N 1 2 286.763 1.110 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C1(COCC)CC1 ZINC001379078853 975625227 /nfs/dbraw/zinc/62/52/27/975625227.db2.gz DUHHZIZUNKGHNH-UHFFFAOYSA-N 1 2 288.819 1.946 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C1(COCC)CC1 ZINC001379078853 975625233 /nfs/dbraw/zinc/62/52/33/975625233.db2.gz DUHHZIZUNKGHNH-UHFFFAOYSA-N 1 2 288.819 1.946 20 30 CDEDLO CCc1noc([C@@H](C)[NH2+]CCN(CC)C(=O)[C@@H](C)C#N)n1 ZINC001379294047 975748718 /nfs/dbraw/zinc/74/87/18/975748718.db2.gz AASPQIDECGORLV-WDEREUQCSA-N 1 2 293.371 1.291 20 30 CDEDLO CC[C@@H](OC)C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001390744133 976478507 /nfs/dbraw/zinc/47/85/07/976478507.db2.gz WRAZQWCARDULCH-OAHLLOKOSA-N 1 2 289.379 1.531 20 30 CDEDLO CC[C@@H](OC)C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001390744133 976478517 /nfs/dbraw/zinc/47/85/17/976478517.db2.gz WRAZQWCARDULCH-OAHLLOKOSA-N 1 2 289.379 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](C)NC(=O)CC ZINC001392278652 977382144 /nfs/dbraw/zinc/38/21/44/977382144.db2.gz WJJWIWSCFYFERG-NSHDSACASA-N 1 2 289.807 1.044 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](C)NC(=O)CC ZINC001392278652 977382149 /nfs/dbraw/zinc/38/21/49/977382149.db2.gz WJJWIWSCFYFERG-NSHDSACASA-N 1 2 289.807 1.044 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cn(C)cn1 ZINC001394058997 978040121 /nfs/dbraw/zinc/04/01/21/978040121.db2.gz QZISTDMDIUOVTP-SNVBAGLBSA-N 1 2 270.764 1.223 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cn(C)cn1 ZINC001394058997 978040132 /nfs/dbraw/zinc/04/01/32/978040132.db2.gz QZISTDMDIUOVTP-SNVBAGLBSA-N 1 2 270.764 1.223 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[NH2+]Cc1csnn1 ZINC001132667660 1163431325 /nfs/dbraw/zinc/43/13/25/1163431325.db2.gz PYQVVZUULGKGLJ-JTQLQIEISA-N 1 2 268.386 1.346 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+]Cc1nc(C(F)F)no1 ZINC001133154627 1163586136 /nfs/dbraw/zinc/58/61/36/1163586136.db2.gz NNWFJDPHWLWGHJ-UHFFFAOYSA-N 1 2 288.298 1.569 20 30 CDEDLO C=CCCCC(=O)NC[C@@H]([NH2+]Cc1c[nH]nn1)C1CC1 ZINC001575092991 1171110398 /nfs/dbraw/zinc/11/03/98/1171110398.db2.gz CKPYXQZWVZFEEZ-CYBMUJFWSA-N 1 2 277.372 1.145 20 30 CDEDLO N#Cc1cc(O)cc(C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000589189925 342499284 /nfs/dbraw/zinc/49/92/84/342499284.db2.gz ZFRIOSCXTFJFBV-UHFFFAOYSA-N 1 2 292.298 1.842 20 30 CDEDLO Cc1noc(C)c1[C@H](C)CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000589827823 342514879 /nfs/dbraw/zinc/51/48/79/342514879.db2.gz NWBXNDRDJJXDLY-MEBBXXQBSA-N 1 2 292.383 1.745 20 30 CDEDLO C=CCN1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000045006157 341998395 /nfs/dbraw/zinc/99/83/95/341998395.db2.gz KHAXQLYCQQSSKV-CQSZACIVSA-N 1 2 265.401 1.191 20 30 CDEDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)CCCCC#N ZINC000601429917 342561901 /nfs/dbraw/zinc/56/19/01/342561901.db2.gz SMBIJVLQDJVSCY-NSHDSACASA-N 1 2 284.385 1.577 20 30 CDEDLO CCn1cc[nH+]c1CNS(=O)(=O)CC1(CC#N)CC1 ZINC000601471012 342565692 /nfs/dbraw/zinc/56/56/92/342565692.db2.gz RPNFZILKUBEVAU-UHFFFAOYSA-N 1 2 282.369 1.016 20 30 CDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000448611610 361774175 /nfs/dbraw/zinc/77/41/75/361774175.db2.gz FFGFFIKXQJPQDE-CJNGLKHVSA-N 1 2 284.363 1.276 20 30 CDEDLO N#Cc1ccc(CN2CCc3[nH+]c[nH]c3C2)c(F)c1 ZINC000590600304 342579803 /nfs/dbraw/zinc/57/98/03/342579803.db2.gz NSUMMSYZJJXVKY-UHFFFAOYSA-N 1 2 256.284 1.979 20 30 CDEDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)ccc1C#N ZINC000300262741 361792073 /nfs/dbraw/zinc/79/20/73/361792073.db2.gz RBAWCAHTPXGXAQ-FZMZJTMJSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1cc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)ccc1C#N ZINC000300262741 361792080 /nfs/dbraw/zinc/79/20/80/361792080.db2.gz RBAWCAHTPXGXAQ-FZMZJTMJSA-N 1 2 276.336 1.148 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000329691485 361811508 /nfs/dbraw/zinc/81/15/08/361811508.db2.gz DLCIXCIFEZEERE-RBSFLKMASA-N 1 2 295.427 1.789 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000329691485 361811511 /nfs/dbraw/zinc/81/15/11/361811511.db2.gz DLCIXCIFEZEERE-RBSFLKMASA-N 1 2 295.427 1.789 20 30 CDEDLO CC1(C)C[C@@H]1Nc1[nH+]cnc2c1cnn2CCC#N ZINC000591190626 342620825 /nfs/dbraw/zinc/62/08/25/342620825.db2.gz FRXIRZVLRLZFTO-JTQLQIEISA-N 1 2 256.313 1.950 20 30 CDEDLO Cc1ccnc(CN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000616757955 342133464 /nfs/dbraw/zinc/13/34/64/342133464.db2.gz QYPMKVRXHSLWRB-UHFFFAOYSA-N 1 2 288.395 1.438 20 30 CDEDLO N#CC[C@@]1(O)CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000591975179 342660983 /nfs/dbraw/zinc/66/09/83/342660983.db2.gz GZXPIZXEGGJJHO-CQSZACIVSA-N 1 2 273.340 1.153 20 30 CDEDLO N#CC[C@@]1(O)CCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000591975179 342660984 /nfs/dbraw/zinc/66/09/84/342660984.db2.gz GZXPIZXEGGJJHO-CQSZACIVSA-N 1 2 273.340 1.153 20 30 CDEDLO C[C@@H](C(=O)NCc1cccs1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148430 342668338 /nfs/dbraw/zinc/66/83/38/342668338.db2.gz YKUVQPMSBRCGFN-SMDDNHRTSA-N 1 2 293.392 1.103 20 30 CDEDLO C[C@@H](C(=O)NCc1cccs1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148430 342668339 /nfs/dbraw/zinc/66/83/39/342668339.db2.gz YKUVQPMSBRCGFN-SMDDNHRTSA-N 1 2 293.392 1.103 20 30 CDEDLO CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152523 342669343 /nfs/dbraw/zinc/66/93/43/342669343.db2.gz YOVDVSHCDKAGER-HOCLYGCPSA-N 1 2 288.347 1.641 20 30 CDEDLO CCOC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152523 342669344 /nfs/dbraw/zinc/66/93/44/342669344.db2.gz YOVDVSHCDKAGER-HOCLYGCPSA-N 1 2 288.347 1.641 20 30 CDEDLO C[C@]1(C#N)CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000592947450 342749010 /nfs/dbraw/zinc/74/90/10/342749010.db2.gz IUAHCSJBLFFCAM-IUODEOHRSA-N 1 2 272.352 1.598 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C)C[C@H](C)O1 ZINC000593086692 342760000 /nfs/dbraw/zinc/76/00/00/342760000.db2.gz YBXQSHVQBYRXMZ-WFASDCNBSA-N 1 2 288.347 1.629 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C)C[C@H](C)O1 ZINC000593086692 342760002 /nfs/dbraw/zinc/76/00/02/342760002.db2.gz YBXQSHVQBYRXMZ-WFASDCNBSA-N 1 2 288.347 1.629 20 30 CDEDLO C[C@H](CC(=O)N1CC[C@@](F)(C#N)C1)n1cc[nH+]c1 ZINC000593135806 342773079 /nfs/dbraw/zinc/77/30/79/342773079.db2.gz HODSBCFVQCBFQO-ZYHUDNBSSA-N 1 2 250.277 1.298 20 30 CDEDLO CCOc1ccc2c(c1)CC[N@@H+](CC(=O)NCC#N)C2 ZINC000441077938 361968960 /nfs/dbraw/zinc/96/89/60/361968960.db2.gz VGTRJXDPCIUOLM-UHFFFAOYSA-N 1 2 273.336 1.083 20 30 CDEDLO CCOc1ccc2c(c1)CC[N@H+](CC(=O)NCC#N)C2 ZINC000441077938 361968965 /nfs/dbraw/zinc/96/89/65/361968965.db2.gz VGTRJXDPCIUOLM-UHFFFAOYSA-N 1 2 273.336 1.083 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000594009007 342862918 /nfs/dbraw/zinc/86/29/18/342862918.db2.gz WLBOBPPCBFIERK-KBPBESRZSA-N 1 2 287.363 1.388 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)nc1 ZINC000593962196 342857945 /nfs/dbraw/zinc/85/79/45/342857945.db2.gz QCZBQCGFPFZEEL-LSDHHAIUSA-N 1 2 273.336 1.333 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)nc1 ZINC000593962196 342857946 /nfs/dbraw/zinc/85/79/46/342857946.db2.gz QCZBQCGFPFZEEL-LSDHHAIUSA-N 1 2 273.336 1.333 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000352419530 539063551 /nfs/dbraw/zinc/06/35/51/539063551.db2.gz RKJDXTPGWMDYHM-MRXNPFEDSA-N 1 2 290.411 1.667 20 30 CDEDLO COc1c(C)[nH+]c(C2CC2)nc1N1CC[C@](O)(CC#N)C1 ZINC000594586132 342921826 /nfs/dbraw/zinc/92/18/26/342921826.db2.gz OZFGGOZQASZOOO-OAHLLOKOSA-N 1 2 288.351 1.526 20 30 CDEDLO Cc1c[nH+]c(CCNc2nc(C)cc(C#N)n2)c(C)c1 ZINC000594597692 342920549 /nfs/dbraw/zinc/92/05/49/342920549.db2.gz YJTRTSUBDMEBRS-UHFFFAOYSA-N 1 2 267.336 1.745 20 30 CDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595319380 343034953 /nfs/dbraw/zinc/03/49/53/343034953.db2.gz ADAHVRGEEUNJFQ-NQCMUKECSA-N 1 2 276.405 1.942 20 30 CDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595319380 343034955 /nfs/dbraw/zinc/03/49/55/343034955.db2.gz ADAHVRGEEUNJFQ-NQCMUKECSA-N 1 2 276.405 1.942 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595547722 343084724 /nfs/dbraw/zinc/08/47/24/343084724.db2.gz RCOXUVQRJCXYQX-UHFFFAOYSA-N 1 2 258.281 1.587 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595547722 343084726 /nfs/dbraw/zinc/08/47/26/343084726.db2.gz RCOXUVQRJCXYQX-UHFFFAOYSA-N 1 2 258.281 1.587 20 30 CDEDLO CN(CC(=O)NCc1cccc(C#N)c1)Cc1c[nH+]c[nH]1 ZINC000595595023 343098285 /nfs/dbraw/zinc/09/82/85/343098285.db2.gz AUBOYHRFTILZCF-UHFFFAOYSA-N 1 2 283.335 1.030 20 30 CDEDLO CN(CC(=O)NCc1cccc(C#N)c1)Cc1c[nH]c[nH+]1 ZINC000595595023 343098288 /nfs/dbraw/zinc/09/82/88/343098288.db2.gz AUBOYHRFTILZCF-UHFFFAOYSA-N 1 2 283.335 1.030 20 30 CDEDLO CC(C)(C)OC(=O)CNC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595620218 343111030 /nfs/dbraw/zinc/11/10/30/343111030.db2.gz KNBOFIQLKFKUHQ-LBPRGKRZSA-N 1 2 295.383 1.070 20 30 CDEDLO CC(C)(C)OC(=O)CNC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595620218 343111031 /nfs/dbraw/zinc/11/10/31/343111031.db2.gz KNBOFIQLKFKUHQ-LBPRGKRZSA-N 1 2 295.383 1.070 20 30 CDEDLO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611866 343109044 /nfs/dbraw/zinc/10/90/44/343109044.db2.gz OBMCJBNVTYVSSG-ZJUUUORDSA-N 1 2 277.290 1.679 20 30 CDEDLO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611866 343109045 /nfs/dbraw/zinc/10/90/45/343109045.db2.gz OBMCJBNVTYVSSG-ZJUUUORDSA-N 1 2 277.290 1.679 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000076994045 342326470 /nfs/dbraw/zinc/32/64/70/342326470.db2.gz NTQQIZSENWGEJD-ZDUSSCGKSA-N 1 2 290.367 1.882 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1c1cc(C)no1 ZINC000076994045 342326471 /nfs/dbraw/zinc/32/64/71/342326471.db2.gz NTQQIZSENWGEJD-ZDUSSCGKSA-N 1 2 290.367 1.882 20 30 CDEDLO CC(=O)c1cccc(OC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000078320984 342335581 /nfs/dbraw/zinc/33/55/81/342335581.db2.gz RFSREFNQONSEHC-CQSZACIVSA-N 1 2 276.336 1.474 20 30 CDEDLO CC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000078320984 342335582 /nfs/dbraw/zinc/33/55/82/342335582.db2.gz RFSREFNQONSEHC-CQSZACIVSA-N 1 2 276.336 1.474 20 30 CDEDLO COC(=O)[C@@](C)([NH2+]CCOc1ccc(C#N)cc1)C1CC1 ZINC000535051446 282232378 /nfs/dbraw/zinc/23/23/78/282232378.db2.gz VIYZKGCQEUANKX-INIZCTEOSA-N 1 2 288.347 1.868 20 30 CDEDLO CC1(O)CCN(c2cc(NCCCCC#N)[nH+]cn2)CC1 ZINC000596107225 343229024 /nfs/dbraw/zinc/22/90/24/343229024.db2.gz KSWJPUOHIBUUCP-UHFFFAOYSA-N 1 2 289.383 1.934 20 30 CDEDLO CC1(O)CCN(c2cc(NCCCCC#N)nc[nH+]2)CC1 ZINC000596107225 343229027 /nfs/dbraw/zinc/22/90/27/343229027.db2.gz KSWJPUOHIBUUCP-UHFFFAOYSA-N 1 2 289.383 1.934 20 30 CDEDLO C=C[C@@](C)(O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000596657556 343364363 /nfs/dbraw/zinc/36/43/63/343364363.db2.gz SAJGVGDPSYWYQM-QGZVFWFLSA-N 1 2 299.374 1.139 20 30 CDEDLO C[C@]1([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CCCOC1 ZINC000330275070 362202904 /nfs/dbraw/zinc/20/29/04/362202904.db2.gz LAHZSDXGWVMMEW-RISCZKNCSA-N 1 2 278.356 1.271 20 30 CDEDLO C[C@]1(NC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCCOC1 ZINC000330275070 362202909 /nfs/dbraw/zinc/20/29/09/362202909.db2.gz LAHZSDXGWVMMEW-RISCZKNCSA-N 1 2 278.356 1.271 20 30 CDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C/C=C/Cl ZINC000154859967 136395454 /nfs/dbraw/zinc/39/54/54/136395454.db2.gz MLMTWUFKRPGEFJ-VUDBWIFFSA-N 1 2 277.759 1.611 20 30 CDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C/C=C/Cl ZINC000154859967 136395455 /nfs/dbraw/zinc/39/54/55/136395455.db2.gz MLMTWUFKRPGEFJ-VUDBWIFFSA-N 1 2 277.759 1.611 20 30 CDEDLO COCC[N@@H+](CCC#N)CCOc1cccc([N+](=O)[O-])c1 ZINC000072689325 349811828 /nfs/dbraw/zinc/81/18/28/349811828.db2.gz VGKGLWHRKTXRAX-UHFFFAOYSA-N 1 2 293.323 1.836 20 30 CDEDLO COCC[N@H+](CCC#N)CCOc1cccc([N+](=O)[O-])c1 ZINC000072689325 349811831 /nfs/dbraw/zinc/81/18/31/349811831.db2.gz VGKGLWHRKTXRAX-UHFFFAOYSA-N 1 2 293.323 1.836 20 30 CDEDLO N#CCCCC(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000597621175 343579879 /nfs/dbraw/zinc/57/98/79/343579879.db2.gz IJCOGIDARIJMRP-UHFFFAOYSA-N 1 2 291.355 1.366 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCC(C)(C)C2)C1 ZINC000329042381 529788195 /nfs/dbraw/zinc/78/81/95/529788195.db2.gz DUXXJSYWPMFTHV-VXGBXAGGSA-N 1 2 269.389 1.399 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCC(C)(C)C2)C1 ZINC000329042381 529788196 /nfs/dbraw/zinc/78/81/96/529788196.db2.gz DUXXJSYWPMFTHV-VXGBXAGGSA-N 1 2 269.389 1.399 20 30 CDEDLO N#Cc1ccc(CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000597890445 343659355 /nfs/dbraw/zinc/65/93/55/343659355.db2.gz RGXPRYPRKAWUES-HNNXBMFYSA-N 1 2 294.358 1.676 20 30 CDEDLO C=CCCSCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000597971267 343687903 /nfs/dbraw/zinc/68/79/03/343687903.db2.gz BWXLBFUYOHPBPG-LBPRGKRZSA-N 1 2 279.409 1.871 20 30 CDEDLO COC(=O)c1cccc(C[N@@H+]2CCCO[C@H](C)C2)c1C#N ZINC000535965500 282296352 /nfs/dbraw/zinc/29/63/52/282296352.db2.gz ZCHHJUASVWUGMK-GFCCVEGCSA-N 1 2 288.347 1.956 20 30 CDEDLO COC(=O)c1cccc(C[N@H+]2CCCO[C@H](C)C2)c1C#N ZINC000535965500 282296354 /nfs/dbraw/zinc/29/63/54/282296354.db2.gz ZCHHJUASVWUGMK-GFCCVEGCSA-N 1 2 288.347 1.956 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000619716235 349866937 /nfs/dbraw/zinc/86/69/37/349866937.db2.gz BSAGKUKXOAAPRR-OAHLLOKOSA-N 1 2 274.364 1.926 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCCN(c2ccccc2)CC1 ZINC000619716235 349866939 /nfs/dbraw/zinc/86/69/39/349866939.db2.gz BSAGKUKXOAAPRR-OAHLLOKOSA-N 1 2 274.364 1.926 20 30 CDEDLO Cc1cc(CN(CCC#N)CC[NH+]2CCOCC2)ccn1 ZINC000598597629 343841378 /nfs/dbraw/zinc/84/13/78/343841378.db2.gz ZXRDOSKEURCWPN-UHFFFAOYSA-N 1 2 288.395 1.438 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000598618358 343843855 /nfs/dbraw/zinc/84/38/55/343843855.db2.gz WQKWNCJEOYTECJ-WDEREUQCSA-N 1 2 293.371 1.338 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000598618358 343843858 /nfs/dbraw/zinc/84/38/58/343843858.db2.gz WQKWNCJEOYTECJ-WDEREUQCSA-N 1 2 293.371 1.338 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000598618357 343844147 /nfs/dbraw/zinc/84/41/47/343844147.db2.gz WQKWNCJEOYTECJ-QWRGUYRKSA-N 1 2 293.371 1.338 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000598618357 343844148 /nfs/dbraw/zinc/84/41/48/343844148.db2.gz WQKWNCJEOYTECJ-QWRGUYRKSA-N 1 2 293.371 1.338 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000598622705 343846607 /nfs/dbraw/zinc/84/66/07/343846607.db2.gz NLDFERXXHIIRMU-CYBMUJFWSA-N 1 2 287.363 1.741 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000598622705 343846608 /nfs/dbraw/zinc/84/66/08/343846608.db2.gz NLDFERXXHIIRMU-CYBMUJFWSA-N 1 2 287.363 1.741 20 30 CDEDLO Cc1cn2ccc(C(=O)N(CCC#N)CCC#N)cc2[nH+]1 ZINC000602079527 344327935 /nfs/dbraw/zinc/32/79/35/344327935.db2.gz RLVQRVIGQLZYCT-UHFFFAOYSA-N 1 2 281.319 1.912 20 30 CDEDLO C=CCOC[C@@H](N[C@@H](c1[nH+]ccn1C)C1CC1)C(=O)OC ZINC000602641831 344512779 /nfs/dbraw/zinc/51/27/79/344512779.db2.gz FOCDVLGTJIHSOU-CHWSQXEVSA-N 1 2 293.367 1.205 20 30 CDEDLO N#CCC1(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)CC1 ZINC000602832791 344614132 /nfs/dbraw/zinc/61/41/32/344614132.db2.gz SBATXYQVSCTNFR-QWHCGFSZSA-N 1 2 250.342 1.560 20 30 CDEDLO N#CCC1(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)CC1 ZINC000602832791 344614134 /nfs/dbraw/zinc/61/41/34/344614134.db2.gz SBATXYQVSCTNFR-QWHCGFSZSA-N 1 2 250.342 1.560 20 30 CDEDLO COc1ccc(CN(C)C(=O)C[NH2+][C@H](C)CC#N)cc1F ZINC000602860672 344616623 /nfs/dbraw/zinc/61/66/23/344616623.db2.gz DJDBIIGNVHXVLS-LLVKDONJSA-N 1 2 293.342 1.684 20 30 CDEDLO Cc1cccc(OCCCNC(=O)C[NH2+][C@H](C)CC#N)c1 ZINC000602860582 344616775 /nfs/dbraw/zinc/61/67/75/344616775.db2.gz DNJPHGMAOLQKDJ-CQSZACIVSA-N 1 2 289.379 1.772 20 30 CDEDLO COc1cccc(S(=O)(=O)CC[NH2+][C@H](C)CC#N)c1 ZINC000602864107 344637620 /nfs/dbraw/zinc/63/76/20/344637620.db2.gz QRRSPKVAMDYQJL-LLVKDONJSA-N 1 2 282.365 1.361 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NC(=O)Nc1ccccc1 ZINC000602871202 344641792 /nfs/dbraw/zinc/64/17/92/344641792.db2.gz ZFIHXSVZYPXIDN-SNVBAGLBSA-N 1 2 260.297 1.226 20 30 CDEDLO CC1(C[N@@H+]2CCC[C@@]3(CCCCO3)[C@H]2C#N)COC1 ZINC000447910953 362555168 /nfs/dbraw/zinc/55/51/68/362555168.db2.gz YUKVYJVGNVLUNS-HIFRSBDPSA-N 1 2 264.369 1.950 20 30 CDEDLO CC1(C[N@H+]2CCC[C@@]3(CCCCO3)[C@H]2C#N)COC1 ZINC000447910953 362555171 /nfs/dbraw/zinc/55/51/71/362555171.db2.gz YUKVYJVGNVLUNS-HIFRSBDPSA-N 1 2 264.369 1.950 20 30 CDEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609538511 345595593 /nfs/dbraw/zinc/59/55/93/345595593.db2.gz LMECNAPSDHPYTP-ZIAGYGMSSA-N 1 2 280.416 1.067 20 30 CDEDLO C=CCN(CCOC)C(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635847643 362647387 /nfs/dbraw/zinc/64/73/87/362647387.db2.gz BHLLYNNNWZYXRE-UHFFFAOYSA-N 1 2 273.336 1.917 20 30 CDEDLO N#CCN1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000609564281 345810806 /nfs/dbraw/zinc/81/08/06/345810806.db2.gz FTXBGOVRRYOONQ-AWEZNQCLSA-N 1 2 279.771 1.515 20 30 CDEDLO Cc1cc(N2CC(O)(CC#N)C2)nc(-c2ccncc2)[nH+]1 ZINC000302453473 346029152 /nfs/dbraw/zinc/02/91/52/346029152.db2.gz PYMIYTJUXMWMQV-UHFFFAOYSA-N 1 2 281.319 1.312 20 30 CDEDLO C[C@H](NC(=O)NCc1[nH+]ccn1C)c1cccc(C#N)c1 ZINC000610353779 346259196 /nfs/dbraw/zinc/25/91/96/346259196.db2.gz HETKQOVGASUTIF-NSHDSACASA-N 1 2 283.335 1.852 20 30 CDEDLO Cc1cccn2cc(CCNC(=O)C3(C#N)CCC3)[nH+]c12 ZINC000610434773 346282061 /nfs/dbraw/zinc/28/20/61/346282061.db2.gz LDTMNSFBHDSQTQ-UHFFFAOYSA-N 1 2 282.347 1.995 20 30 CDEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1cn[nH]c1 ZINC000610487680 346292574 /nfs/dbraw/zinc/29/25/74/346292574.db2.gz RDYPXBDTMHZHNX-UHFFFAOYSA-N 1 2 275.356 1.184 20 30 CDEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1cn[nH]c1 ZINC000610487680 346292580 /nfs/dbraw/zinc/29/25/80/346292580.db2.gz RDYPXBDTMHZHNX-UHFFFAOYSA-N 1 2 275.356 1.184 20 30 CDEDLO CC1CC(C#N)(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000610706328 346365653 /nfs/dbraw/zinc/36/56/53/346365653.db2.gz LMCXZBUOBCWIQL-NPCAHTBFSA-N 1 2 291.395 1.249 20 30 CDEDLO COC(=O)[C@@H](COC(C)C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000610826495 346457347 /nfs/dbraw/zinc/45/73/47/346457347.db2.gz FUYRYZSDEZGOOK-OAHLLOKOSA-N 1 2 290.363 1.957 20 30 CDEDLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000610826495 346457350 /nfs/dbraw/zinc/45/73/50/346457350.db2.gz FUYRYZSDEZGOOK-OAHLLOKOSA-N 1 2 290.363 1.957 20 30 CDEDLO CC(C)C[C@@H](C#N)NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000611012042 346576648 /nfs/dbraw/zinc/57/66/48/346576648.db2.gz LOOQLINRWIZTSK-NEPJUHHUSA-N 1 2 269.414 1.478 20 30 CDEDLO CC(C)CCNC(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611175124 346629364 /nfs/dbraw/zinc/62/93/64/346629364.db2.gz UHNCVQYMUHFCOS-CQSZACIVSA-N 1 2 280.416 1.068 20 30 CDEDLO N#CCCN1CC[NH+](CC(=O)NCC2CCCCC2)CC1 ZINC000611176254 346632175 /nfs/dbraw/zinc/63/21/75/346632175.db2.gz XHWARGRTWIUJNT-UHFFFAOYSA-N 1 2 292.427 1.214 20 30 CDEDLO COCC#CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000611194687 346690526 /nfs/dbraw/zinc/69/05/26/346690526.db2.gz YRVWUTQEVBIWQG-UHFFFAOYSA-N 1 2 289.335 1.367 20 30 CDEDLO COc1ccc(C[N@H+](C)C[C@H](C#N)CCC#N)cn1 ZINC000611209156 346698100 /nfs/dbraw/zinc/69/81/00/346698100.db2.gz JXXRKUFVPZCMIJ-LBPRGKRZSA-N 1 2 258.325 1.966 20 30 CDEDLO COc1ccc(C[N@@H+](C)C[C@H](C#N)CCC#N)cn1 ZINC000611209156 346698105 /nfs/dbraw/zinc/69/81/05/346698105.db2.gz JXXRKUFVPZCMIJ-LBPRGKRZSA-N 1 2 258.325 1.966 20 30 CDEDLO C[C@@H]1CN(CC2(C#N)CC2)[C@@H](C)C[N@@H+]1CC1(C#N)CC1 ZINC000611430925 346787602 /nfs/dbraw/zinc/78/76/02/346787602.db2.gz GMAUJNSMLXCYQY-OKILXGFUSA-N 1 2 272.396 1.989 20 30 CDEDLO C[C@@H]1CN(CC2(C#N)CC2)[C@@H](C)C[N@H+]1CC1(C#N)CC1 ZINC000611430925 346787605 /nfs/dbraw/zinc/78/76/05/346787605.db2.gz GMAUJNSMLXCYQY-OKILXGFUSA-N 1 2 272.396 1.989 20 30 CDEDLO C[C@@H]1C[N@H+](CC2(C#N)CC2)[C@@H](C)CN1CC1(C#N)CC1 ZINC000611430925 346787608 /nfs/dbraw/zinc/78/76/08/346787608.db2.gz GMAUJNSMLXCYQY-OKILXGFUSA-N 1 2 272.396 1.989 20 30 CDEDLO C[C@@H]1C[N@@H+](CC2(C#N)CC2)[C@@H](C)CN1CC1(C#N)CC1 ZINC000611430925 346787610 /nfs/dbraw/zinc/78/76/10/346787610.db2.gz GMAUJNSMLXCYQY-OKILXGFUSA-N 1 2 272.396 1.989 20 30 CDEDLO C=C[C@@H](O)C(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000612995119 347360029 /nfs/dbraw/zinc/36/00/29/347360029.db2.gz VZFGHPNFBMQBMS-XJKSGUPXSA-N 1 2 299.374 1.883 20 30 CDEDLO C#CCN(C(=O)[C@@H](C)[NH+]1CCN(C)CC1)C1CCCC1 ZINC000490949519 347578117 /nfs/dbraw/zinc/57/81/17/347578117.db2.gz LHHZFFYPVFNTKJ-CQSZACIVSA-N 1 2 277.412 1.027 20 30 CDEDLO CN(CCO)c1ccc(N[C@H]2CC[C@H](C#N)C2)[nH+]c1 ZINC000619673418 347726012 /nfs/dbraw/zinc/72/60/12/347726012.db2.gz JHUFJGKNGBUMGX-RYUDHWBXSA-N 1 2 260.341 1.614 20 30 CDEDLO CO[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000054852368 347832423 /nfs/dbraw/zinc/83/24/23/347832423.db2.gz HMOYZIBDCJJYOW-CYBMUJFWSA-N 1 2 287.363 1.237 20 30 CDEDLO CN(C)c1ccc(CNC(=O)c2cc(O)cc(C#N)c2)c[nH+]1 ZINC000614295564 348073479 /nfs/dbraw/zinc/07/34/79/348073479.db2.gz XDEVPRXEBIMFJC-UHFFFAOYSA-N 1 2 296.330 1.655 20 30 CDEDLO C=C[C@H](O)C(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000614360255 348088625 /nfs/dbraw/zinc/08/86/25/348088625.db2.gz IUERFIWSYYSDQM-RYUDHWBXSA-N 1 2 263.341 1.504 20 30 CDEDLO Cc1c(OC[C@@H](O)C[N@H+](C)CCC#N)cccc1[N+](=O)[O-] ZINC000414149069 362925000 /nfs/dbraw/zinc/92/50/00/362925000.db2.gz ULXHZKHLRIGNSC-LBPRGKRZSA-N 1 2 293.323 1.488 20 30 CDEDLO Cc1c(OC[C@@H](O)C[N@@H+](C)CCC#N)cccc1[N+](=O)[O-] ZINC000414149069 362925003 /nfs/dbraw/zinc/92/50/03/362925003.db2.gz ULXHZKHLRIGNSC-LBPRGKRZSA-N 1 2 293.323 1.488 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(F)cc1[N+](=O)[O-] ZINC000414142939 362923279 /nfs/dbraw/zinc/92/32/79/362923279.db2.gz NGHHXRGHHGHSBS-NSHDSACASA-N 1 2 297.286 1.319 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(F)cc1[N+](=O)[O-] ZINC000414142939 362923285 /nfs/dbraw/zinc/92/32/85/362923285.db2.gz NGHHXRGHHGHSBS-NSHDSACASA-N 1 2 297.286 1.319 20 30 CDEDLO Cc1ccnc(N[C@@H](C)C[NH+]2CCN(C)CC2)c1C#N ZINC000273418717 192143920 /nfs/dbraw/zinc/14/39/20/192143920.db2.gz YSSFJIGJWXBLMT-ZDUSSCGKSA-N 1 2 273.384 1.310 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1ccco1 ZINC000076571939 348665577 /nfs/dbraw/zinc/66/55/77/348665577.db2.gz BVLUYFKMMFALLL-LBPRGKRZSA-N 1 2 263.341 1.720 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccco1 ZINC000076571939 348665580 /nfs/dbraw/zinc/66/55/80/348665580.db2.gz BVLUYFKMMFALLL-LBPRGKRZSA-N 1 2 263.341 1.720 20 30 CDEDLO C[C@@]1(C#N)CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000615789714 348724114 /nfs/dbraw/zinc/72/41/14/348724114.db2.gz HJSGGNNDDARFBH-WFASDCNBSA-N 1 2 272.352 1.598 20 30 CDEDLO Cn1cc(C[N@H+](C)CC(=O)NC2(C#N)CCCCC2)cn1 ZINC000032540061 348693755 /nfs/dbraw/zinc/69/37/55/348693755.db2.gz ZFUCISDGCLIYDJ-UHFFFAOYSA-N 1 2 289.383 1.195 20 30 CDEDLO Cn1cc(C[N@@H+](C)CC(=O)NC2(C#N)CCCCC2)cn1 ZINC000032540061 348693759 /nfs/dbraw/zinc/69/37/59/348693759.db2.gz ZFUCISDGCLIYDJ-UHFFFAOYSA-N 1 2 289.383 1.195 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ccccc2OC(F)F)CC1 ZINC000043663331 348758639 /nfs/dbraw/zinc/75/86/39/348758639.db2.gz LFPAGTZDBSEXJP-UHFFFAOYSA-N 1 2 294.301 1.679 20 30 CDEDLO COc1ccccc1C[N@H+](CC(=O)NCC#N)C1CC1 ZINC000066495278 348985345 /nfs/dbraw/zinc/98/53/45/348985345.db2.gz RDVHCCQQZLFIME-UHFFFAOYSA-N 1 2 273.336 1.299 20 30 CDEDLO COc1ccccc1C[N@@H+](CC(=O)NCC#N)C1CC1 ZINC000066495278 348985348 /nfs/dbraw/zinc/98/53/48/348985348.db2.gz RDVHCCQQZLFIME-UHFFFAOYSA-N 1 2 273.336 1.299 20 30 CDEDLO N#CC1(C(=O)NCCc2cn3c([nH+]2)CCCC3)CCCC1 ZINC000073745525 349177350 /nfs/dbraw/zinc/17/73/50/349177350.db2.gz VYXGAUBTGXRENS-UHFFFAOYSA-N 1 2 286.379 1.962 20 30 CDEDLO C=CCC1(NC(=O)CCc2[nH]cc[nH+]2)CCOCC1 ZINC000618250775 349415966 /nfs/dbraw/zinc/41/59/66/349415966.db2.gz OIUXXTDGAYTEPV-UHFFFAOYSA-N 1 2 263.341 1.584 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)C[C@]2(CCOC2)O1 ZINC000602644279 350136062 /nfs/dbraw/zinc/13/60/62/350136062.db2.gz LXGQNGGRDNGCNU-DOMZBBRYSA-N 1 2 273.336 1.333 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)C[C@]2(CCOC2)O1 ZINC000602644279 350136065 /nfs/dbraw/zinc/13/60/65/350136065.db2.gz LXGQNGGRDNGCNU-DOMZBBRYSA-N 1 2 273.336 1.333 20 30 CDEDLO N#Cc1cccc(OC2CC[NH+]([C@@H]3CCOC3=O)CC2)c1 ZINC000104713917 186018708 /nfs/dbraw/zinc/01/87/08/186018708.db2.gz XBYLDDLLDWFJIA-OAHLLOKOSA-N 1 2 286.331 1.717 20 30 CDEDLO CO[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000602895737 350161044 /nfs/dbraw/zinc/16/10/44/350161044.db2.gz DESIJNFFIUXSHP-OAHLLOKOSA-N 1 2 289.335 1.192 20 30 CDEDLO CO[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000602895737 350161046 /nfs/dbraw/zinc/16/10/46/350161046.db2.gz DESIJNFFIUXSHP-OAHLLOKOSA-N 1 2 289.335 1.192 20 30 CDEDLO CO[C@H]1C[N@H+](CCOc2ccccc2C#N)CCO1 ZINC000602896927 350161213 /nfs/dbraw/zinc/16/12/13/350161213.db2.gz LHOXJARYHNJMKQ-CQSZACIVSA-N 1 2 262.309 1.242 20 30 CDEDLO CO[C@H]1C[N@@H+](CCOc2ccccc2C#N)CCO1 ZINC000602896927 350161215 /nfs/dbraw/zinc/16/12/15/350161215.db2.gz LHOXJARYHNJMKQ-CQSZACIVSA-N 1 2 262.309 1.242 20 30 CDEDLO C[C@@H](C[NH+]1CCN(C)CC1)Nc1nc2c(cc1C#N)CCC2 ZINC000264389650 366007837 /nfs/dbraw/zinc/00/78/37/366007837.db2.gz KEFBEUTZSMBCTO-ZDUSSCGKSA-N 1 2 299.422 1.490 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCCN(CC)CC1 ZINC000158263062 188365901 /nfs/dbraw/zinc/36/59/01/188365901.db2.gz VQNZSAOGELXUPG-HNNXBMFYSA-N 1 2 279.428 1.603 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCCN(CC)CC1 ZINC000158263062 188365902 /nfs/dbraw/zinc/36/59/02/188365902.db2.gz VQNZSAOGELXUPG-HNNXBMFYSA-N 1 2 279.428 1.603 20 30 CDEDLO CN(C(=O)C[N@@H+]1CC[C@@H](F)C1)C1(C#N)CCCCC1 ZINC000336259995 363235520 /nfs/dbraw/zinc/23/55/20/363235520.db2.gz ZKFJOLSEKSUDLM-GFCCVEGCSA-N 1 2 267.348 1.715 20 30 CDEDLO CN(C(=O)C[N@H+]1CC[C@@H](F)C1)C1(C#N)CCCCC1 ZINC000336259995 363235523 /nfs/dbraw/zinc/23/55/23/363235523.db2.gz ZKFJOLSEKSUDLM-GFCCVEGCSA-N 1 2 267.348 1.715 20 30 CDEDLO COC(=O)C1(O)CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000365252893 363296777 /nfs/dbraw/zinc/29/67/77/363296777.db2.gz CVBBGRQTMXBLIK-UHFFFAOYSA-N 1 2 292.310 1.197 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1ccc(Cl)nc1 ZINC000493056935 366190663 /nfs/dbraw/zinc/19/06/63/366190663.db2.gz UOYDHBPFENQSSC-HZRUHFOJSA-N 1 2 292.770 1.708 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccc(C#N)o1)CCC2 ZINC000336382818 356157023 /nfs/dbraw/zinc/15/70/23/356157023.db2.gz UEGWHPJWHPQMTD-NSHDSACASA-N 1 2 284.319 1.964 20 30 CDEDLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000361642718 482754611 /nfs/dbraw/zinc/75/46/11/482754611.db2.gz KEBDQFCJVLVCFE-VIFPVBQESA-N 1 2 250.273 1.691 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCOCC1 ZINC000059951024 356377478 /nfs/dbraw/zinc/37/74/78/356377478.db2.gz PGCGYMIQPSGRPF-GFCCVEGCSA-N 1 2 273.336 1.608 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCOCC1 ZINC000059951024 356377481 /nfs/dbraw/zinc/37/74/81/356377481.db2.gz PGCGYMIQPSGRPF-GFCCVEGCSA-N 1 2 273.336 1.608 20 30 CDEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H](F)C3)C2=O)cc1 ZINC000336261054 283167581 /nfs/dbraw/zinc/16/75/81/283167581.db2.gz KBHAFVSAKIWICR-OCCSQVGLSA-N 1 2 273.311 1.707 20 30 CDEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@H](F)C3)C2=O)cc1 ZINC000336261054 283167587 /nfs/dbraw/zinc/16/75/87/283167587.db2.gz KBHAFVSAKIWICR-OCCSQVGLSA-N 1 2 273.311 1.707 20 30 CDEDLO CCOCCOC1C[NH+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000273707711 192270363 /nfs/dbraw/zinc/27/03/63/192270363.db2.gz PFRJNKLCRGTNHL-MRXNPFEDSA-N 1 2 290.363 1.329 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCCO[C@H](C)C1 ZINC000328888603 538442909 /nfs/dbraw/zinc/44/29/09/538442909.db2.gz PSDQVEBAAJILNO-SNVBAGLBSA-N 1 2 280.372 1.736 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCCO[C@H](C)C1 ZINC000328888603 538442911 /nfs/dbraw/zinc/44/29/11/538442911.db2.gz PSDQVEBAAJILNO-SNVBAGLBSA-N 1 2 280.372 1.736 20 30 CDEDLO C[C@H](OC[C@H]1CCCCO1)C(=O)NCc1c[nH+]c[nH]1 ZINC000329734041 538631190 /nfs/dbraw/zinc/63/11/90/538631190.db2.gz KBGHTYLZQKJPJA-CMPLNLGQSA-N 1 2 267.329 1.840 20 30 CDEDLO C[C@H](OC[C@H]1CCCCO1)C(=O)NCc1c[nH]c[nH+]1 ZINC000329734041 538631199 /nfs/dbraw/zinc/63/11/99/538631199.db2.gz KBGHTYLZQKJPJA-CMPLNLGQSA-N 1 2 267.329 1.840 20 30 CDEDLO Cc1cc(C[N@H+]2CCN(C(C)C)C(=O)C2)ccc1C#N ZINC000344071294 356877621 /nfs/dbraw/zinc/87/76/21/356877621.db2.gz RWAXVUSTCQSYKI-UHFFFAOYSA-N 1 2 271.364 1.919 20 30 CDEDLO Cc1cc(C[N@@H+]2CCN(C(C)C)C(=O)C2)ccc1C#N ZINC000344071294 356877625 /nfs/dbraw/zinc/87/76/25/356877625.db2.gz RWAXVUSTCQSYKI-UHFFFAOYSA-N 1 2 271.364 1.919 20 30 CDEDLO N#Cc1cnccc1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000344418225 357002530 /nfs/dbraw/zinc/00/25/30/357002530.db2.gz YNMPMUNDXORCEO-UHFFFAOYSA-N 1 2 263.260 1.275 20 30 CDEDLO C=CC[C@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)c1ccccc1 ZINC000188742362 357074078 /nfs/dbraw/zinc/07/40/78/357074078.db2.gz KUPJBTNTLMOPHS-IRXDYDNUSA-N 1 2 299.418 1.462 20 30 CDEDLO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000335561063 357925957 /nfs/dbraw/zinc/92/59/57/357925957.db2.gz IKABTZFVWLPZSD-CQSZACIVSA-N 1 2 277.755 1.922 20 30 CDEDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000335561063 357925959 /nfs/dbraw/zinc/92/59/59/357925959.db2.gz IKABTZFVWLPZSD-CQSZACIVSA-N 1 2 277.755 1.922 20 30 CDEDLO OC(=Cc1c(F)cccc1F)NC1=[NH+]CCS1 ZINC000087005926 358318684 /nfs/dbraw/zinc/31/86/84/358318684.db2.gz UWHOGNLIAAIYKL-UHFFFAOYSA-N 1 2 256.277 1.726 20 30 CDEDLO C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000294805077 199191998 /nfs/dbraw/zinc/19/19/98/199191998.db2.gz UQHYRYQIRKIACE-VXGBXAGGSA-N 1 2 261.325 1.502 20 30 CDEDLO Cc1cccn2cc(CC(=O)NC[C@H](C)C#N)[nH+]c12 ZINC000518420641 358340366 /nfs/dbraw/zinc/34/03/66/358340366.db2.gz GBOFYNCIBJIICY-SNVBAGLBSA-N 1 2 256.309 1.461 20 30 CDEDLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1CCC(C)(C)C#N ZINC000346988965 359124760 /nfs/dbraw/zinc/12/47/60/359124760.db2.gz LJVZTGWLVHLZCR-VXGBXAGGSA-N 1 2 268.357 1.579 20 30 CDEDLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1CCC(C)(C)C#N ZINC000346988965 359124763 /nfs/dbraw/zinc/12/47/63/359124763.db2.gz LJVZTGWLVHLZCR-VXGBXAGGSA-N 1 2 268.357 1.579 20 30 CDEDLO C=CCSCCNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000265582142 359331891 /nfs/dbraw/zinc/33/18/91/359331891.db2.gz VAJBRCYEPLWMIM-UHFFFAOYSA-N 1 2 295.364 1.064 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)N1CCCc2ccccc21 ZINC000266953170 359346801 /nfs/dbraw/zinc/34/68/01/359346801.db2.gz UXUXDQMNUBNGMA-UHFFFAOYSA-N 1 2 256.349 1.921 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)N1CCCc2ccccc21 ZINC000266953170 359346804 /nfs/dbraw/zinc/34/68/04/359346804.db2.gz UXUXDQMNUBNGMA-UHFFFAOYSA-N 1 2 256.349 1.921 20 30 CDEDLO C#C[C@@H](C)NC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000274723704 359518664 /nfs/dbraw/zinc/51/86/64/359518664.db2.gz AFDJTLQRWASYIA-LLVKDONJSA-N 1 2 256.309 1.464 20 30 CDEDLO CN(C)c1cc(C#N)cc(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000340145996 359579082 /nfs/dbraw/zinc/57/90/82/359579082.db2.gz LCHGCEPVRYAZDY-UHFFFAOYSA-N 1 2 283.335 1.320 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000279824994 359596420 /nfs/dbraw/zinc/59/64/20/359596420.db2.gz QQZUMMQARKLPMO-CQSZACIVSA-N 1 2 280.412 1.934 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000279824994 359596421 /nfs/dbraw/zinc/59/64/21/359596421.db2.gz QQZUMMQARKLPMO-CQSZACIVSA-N 1 2 280.412 1.934 20 30 CDEDLO C=CCOc1cccc(C[NH+]2CC(NC(C)=O)C2)c1 ZINC000297412494 200181366 /nfs/dbraw/zinc/18/13/66/200181366.db2.gz LMYLJYITJYVIFL-UHFFFAOYSA-N 1 2 260.337 1.572 20 30 CDEDLO C=CCOCCC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000348041470 359791361 /nfs/dbraw/zinc/79/13/61/359791361.db2.gz YERSWSHPDZOPGC-HNNXBMFYSA-N 1 2 274.364 1.752 20 30 CDEDLO C=CCOCCC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000348041470 359791366 /nfs/dbraw/zinc/79/13/66/359791366.db2.gz YERSWSHPDZOPGC-HNNXBMFYSA-N 1 2 274.364 1.752 20 30 CDEDLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CCC#N ZINC000495834062 366541449 /nfs/dbraw/zinc/54/14/49/366541449.db2.gz AGARRUMPHZRSGR-LBPRGKRZSA-N 1 2 253.346 1.891 20 30 CDEDLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1CCC#N ZINC000495834062 366541455 /nfs/dbraw/zinc/54/14/55/366541455.db2.gz AGARRUMPHZRSGR-LBPRGKRZSA-N 1 2 253.346 1.891 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1nc(C)no1 ZINC000348116139 359843543 /nfs/dbraw/zinc/84/35/43/359843543.db2.gz VTZXJFCVJNGSEV-UWVGGRQHSA-N 1 2 279.344 1.037 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccnc(OC)c2)C1=O ZINC000337225754 360037665 /nfs/dbraw/zinc/03/76/65/360037665.db2.gz OSEGUFFFXOKGIT-CYBMUJFWSA-N 1 2 275.352 1.309 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccnc(OC)c2)C1=O ZINC000337225754 360037670 /nfs/dbraw/zinc/03/76/70/360037670.db2.gz OSEGUFFFXOKGIT-CYBMUJFWSA-N 1 2 275.352 1.309 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CC(=O)N(CC)CC ZINC000337391795 360097376 /nfs/dbraw/zinc/09/73/76/360097376.db2.gz ZZGZRLPBEDMONP-AWEZNQCLSA-N 1 2 297.443 1.600 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CC(=O)N(CC)CC ZINC000337391795 360097383 /nfs/dbraw/zinc/09/73/83/360097383.db2.gz ZZGZRLPBEDMONP-AWEZNQCLSA-N 1 2 297.443 1.600 20 30 CDEDLO C=C(C)COCCNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000122023409 360271721 /nfs/dbraw/zinc/27/17/21/360271721.db2.gz RXMVKDTZVXWCIN-UHFFFAOYSA-N 1 2 280.372 1.507 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000093236548 360292934 /nfs/dbraw/zinc/29/29/34/360292934.db2.gz WOYBRPZRCFKMBC-NSHDSACASA-N 1 2 276.340 1.086 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000093236548 360292939 /nfs/dbraw/zinc/29/29/39/360292939.db2.gz WOYBRPZRCFKMBC-NSHDSACASA-N 1 2 276.340 1.086 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000348525838 360378820 /nfs/dbraw/zinc/37/88/20/360378820.db2.gz KIALORCLTJLJJI-CYBMUJFWSA-N 1 2 273.336 1.445 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000348525838 360378823 /nfs/dbraw/zinc/37/88/23/360378823.db2.gz KIALORCLTJLJJI-CYBMUJFWSA-N 1 2 273.336 1.445 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(C)C3(CCCCC3)C2)C1=O ZINC000514795827 360380736 /nfs/dbraw/zinc/38/07/36/360380736.db2.gz FEPHNSRCGXKUAR-OAHLLOKOSA-N 1 2 291.439 1.724 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCN(C)C3(CCCCC3)C2)C1=O ZINC000514795827 360380739 /nfs/dbraw/zinc/38/07/39/360380739.db2.gz FEPHNSRCGXKUAR-OAHLLOKOSA-N 1 2 291.439 1.724 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000516279085 360589440 /nfs/dbraw/zinc/58/94/40/360589440.db2.gz GECZWUODSDTPAY-AXFHLTTASA-N 1 2 258.325 1.638 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH]c[nH+]c32)C1 ZINC000516279085 360589443 /nfs/dbraw/zinc/58/94/43/360589443.db2.gz GECZWUODSDTPAY-AXFHLTTASA-N 1 2 258.325 1.638 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccc(C#N)cc1 ZINC000565050557 360710744 /nfs/dbraw/zinc/71/07/44/360710744.db2.gz FMYMKFDRPHECLO-HNNXBMFYSA-N 1 2 270.336 1.061 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000245910253 360763426 /nfs/dbraw/zinc/76/34/26/360763426.db2.gz VMKAVIULRLAMNW-WDEREUQCSA-N 1 2 282.388 1.481 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000245910253 360763430 /nfs/dbraw/zinc/76/34/30/360763430.db2.gz VMKAVIULRLAMNW-WDEREUQCSA-N 1 2 282.388 1.481 20 30 CDEDLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191852628 361344545 /nfs/dbraw/zinc/34/45/45/361344545.db2.gz CZEAGFGSGLVMHH-UHFFFAOYSA-N 1 2 277.343 1.998 20 30 CDEDLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191852628 361344549 /nfs/dbraw/zinc/34/45/49/361344549.db2.gz CZEAGFGSGLVMHH-UHFFFAOYSA-N 1 2 277.343 1.998 20 30 CDEDLO C[C@H](NC(=O)NC[C@@H]1CCCn2cc[nH+]c21)[C@H]1CCOC1 ZINC000329325768 361479629 /nfs/dbraw/zinc/47/96/29/361479629.db2.gz IXDGIXOZZCQQKW-AVGNSLFASA-N 1 2 292.383 1.689 20 30 CDEDLO C[C@@](O)(CNC(=O)C1([NH+]2CCOCC2)CCC1)C1CC1 ZINC000329356712 361489317 /nfs/dbraw/zinc/48/93/17/361489317.db2.gz ZMRHYEKUIKWTDH-CQSZACIVSA-N 1 2 282.384 1.359 20 30 CDEDLO C[C@H]([NH2+][C@@H](C)c1nncn1C)C(=O)Nc1cccc(C#N)c1 ZINC000274136221 239056854 /nfs/dbraw/zinc/05/68/54/239056854.db2.gz YXXOIBDGJOVYBO-QWRGUYRKSA-N 1 2 298.350 1.365 20 30 CDEDLO Cc1[nH+]c(C(C)C)ccc1Cn1c(=O)c(C#N)cn(C)c1=O ZINC000292637806 239270690 /nfs/dbraw/zinc/27/06/90/239270690.db2.gz LHEOASXIYADBMN-UHFFFAOYSA-N 1 2 298.346 1.294 20 30 CDEDLO CC1CC(C#N)(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000532319344 363920812 /nfs/dbraw/zinc/92/08/12/363920812.db2.gz UVWXDCBMUJQPJB-UHFFFAOYSA-N 1 2 279.384 1.153 20 30 CDEDLO Cc1cccn2cc(CC(=O)NC3(C#N)CC3)[nH+]c12 ZINC000609647967 363930102 /nfs/dbraw/zinc/93/01/02/363930102.db2.gz OOIKKQSBKNPTKK-UHFFFAOYSA-N 1 2 254.293 1.358 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)cc1 ZINC000367599443 364001360 /nfs/dbraw/zinc/00/13/60/364001360.db2.gz HKBWQIUXXWPDDP-JKSUJKDBSA-N 1 2 272.348 1.938 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)cc1 ZINC000367599443 364001361 /nfs/dbraw/zinc/00/13/61/364001361.db2.gz HKBWQIUXXWPDDP-JKSUJKDBSA-N 1 2 272.348 1.938 20 30 CDEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc(C#N)c(O)c1 ZINC000456360433 364250157 /nfs/dbraw/zinc/25/01/57/364250157.db2.gz RTSQDQBJNDWZMC-JTQLQIEISA-N 1 2 284.319 1.971 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)CCn1cnc2ccccc2c1=O ZINC000161956557 364561684 /nfs/dbraw/zinc/56/16/84/364561684.db2.gz FEFSRKGXFSVQFU-LBPRGKRZSA-N 1 2 270.336 1.630 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)CCn1cnc2ccccc2c1=O ZINC000161956557 364561688 /nfs/dbraw/zinc/56/16/88/364561688.db2.gz FEFSRKGXFSVQFU-LBPRGKRZSA-N 1 2 270.336 1.630 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cn3cccc(C)c3n2)nn1 ZINC000640953540 364775228 /nfs/dbraw/zinc/77/52/28/364775228.db2.gz PWYVSFZKUJRDFU-UHFFFAOYSA-N 1 2 294.362 1.395 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cccnc2C)nn1 ZINC000641050984 364902734 /nfs/dbraw/zinc/90/27/34/364902734.db2.gz HZLZOXJGJPBWEG-UHFFFAOYSA-N 1 2 255.325 1.143 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249596294 364974029 /nfs/dbraw/zinc/97/40/29/364974029.db2.gz WXZRSSYFBHRIQK-DFBGVHRSSA-N 1 2 288.347 1.475 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249596294 364974037 /nfs/dbraw/zinc/97/40/37/364974037.db2.gz WXZRSSYFBHRIQK-DFBGVHRSSA-N 1 2 288.347 1.475 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000590119750 365055900 /nfs/dbraw/zinc/05/59/00/365055900.db2.gz LLEBCJZQSWXLPP-OAHLLOKOSA-N 1 2 289.375 1.740 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000375319593 370807225 /nfs/dbraw/zinc/80/72/25/370807225.db2.gz OMYFQHMGZHSWCU-SECBINFHSA-N 1 2 257.135 1.434 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000375319593 370807229 /nfs/dbraw/zinc/80/72/29/370807229.db2.gz OMYFQHMGZHSWCU-SECBINFHSA-N 1 2 257.135 1.434 20 30 CDEDLO C=C(C)CN(C)c1nc(NC)nc(N(C)CC(=C)C)[nH+]1 ZINC000477134214 365406092 /nfs/dbraw/zinc/40/60/92/365406092.db2.gz FLTRRTZPCHBYJC-UHFFFAOYSA-N 1 2 276.388 1.360 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2c(C)cccc2C)CC1 ZINC000173715963 367045732 /nfs/dbraw/zinc/04/57/32/367045732.db2.gz RWWRSBMRIIWSLM-UHFFFAOYSA-N 1 2 285.391 1.493 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000357789639 367210745 /nfs/dbraw/zinc/21/07/45/367210745.db2.gz DRMDEGFLMFUOAP-GXFFZTMASA-N 1 2 286.310 1.924 20 30 CDEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@@H](C)C#N ZINC000530282266 368163194 /nfs/dbraw/zinc/16/31/94/368163194.db2.gz GZDIZMPGRINEDM-QMMMGPOBSA-N 1 2 292.289 1.899 20 30 CDEDLO C=CCNC(=O)C[N@@H+](CCOC)Cc1ccc(C)o1 ZINC000125804911 368247773 /nfs/dbraw/zinc/24/77/73/368247773.db2.gz OWFROVTYCFXWQA-UHFFFAOYSA-N 1 2 266.341 1.339 20 30 CDEDLO C=CCNC(=O)C[N@H+](CCOC)Cc1ccc(C)o1 ZINC000125804911 368247775 /nfs/dbraw/zinc/24/77/75/368247775.db2.gz OWFROVTYCFXWQA-UHFFFAOYSA-N 1 2 266.341 1.339 20 30 CDEDLO CC1(C)C[N@H+](CC(=O)NCc2cccc(C#N)c2)CCO1 ZINC000330704691 203137339 /nfs/dbraw/zinc/13/73/39/203137339.db2.gz RKCWFCBRSOEKGF-UHFFFAOYSA-N 1 2 287.363 1.285 20 30 CDEDLO CC1(C)C[N@@H+](CC(=O)NCc2cccc(C#N)c2)CCO1 ZINC000330704691 203137343 /nfs/dbraw/zinc/13/73/43/203137343.db2.gz RKCWFCBRSOEKGF-UHFFFAOYSA-N 1 2 287.363 1.285 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000276212857 193244520 /nfs/dbraw/zinc/24/45/20/193244520.db2.gz LHCVESHAQMPQPP-DZGCQCFKSA-N 1 2 279.384 1.864 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000120399403 370359347 /nfs/dbraw/zinc/35/93/47/370359347.db2.gz XVKPRSPNWCDETJ-AWEZNQCLSA-N 1 2 288.395 1.907 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)NC[C@@H](C)C#N ZINC000182374943 372600842 /nfs/dbraw/zinc/60/08/42/372600842.db2.gz FZCNCEHILFVJKI-NSHDSACASA-N 1 2 285.351 1.804 20 30 CDEDLO Cc1cc(NC[C@H]2CCCCS2(=O)=O)c(C#N)c[nH+]1 ZINC000333412755 205299323 /nfs/dbraw/zinc/29/93/23/205299323.db2.gz HNNYHOKEWVGFCR-GFCCVEGCSA-N 1 2 279.365 1.063 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)c1ccc(C#N)c(O)c1 ZINC000348287943 373098443 /nfs/dbraw/zinc/09/84/43/373098443.db2.gz IUDWMSAVBLKILY-UHFFFAOYSA-N 1 2 283.287 1.597 20 30 CDEDLO C=CC[N@@H+](CCOC)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000191100363 373447591 /nfs/dbraw/zinc/44/75/91/373447591.db2.gz IBMIVANJGTUVKM-ZDUSSCGKSA-N 1 2 266.316 1.487 20 30 CDEDLO C=CC[N@H+](CCOC)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000191100363 373447596 /nfs/dbraw/zinc/44/75/96/373447596.db2.gz IBMIVANJGTUVKM-ZDUSSCGKSA-N 1 2 266.316 1.487 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H](C)O1 ZINC000192216140 373604546 /nfs/dbraw/zinc/60/45/46/373604546.db2.gz YBRDCMUUJCQKHN-SMDDNHRTSA-N 1 2 278.327 1.933 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H](C)O1 ZINC000192216140 373604551 /nfs/dbraw/zinc/60/45/51/373604551.db2.gz YBRDCMUUJCQKHN-SMDDNHRTSA-N 1 2 278.327 1.933 20 30 CDEDLO CC[N@H+](CCOc1cccc(C#N)c1)CC(=O)OC ZINC000299309449 373897593 /nfs/dbraw/zinc/89/75/93/373897593.db2.gz DPGKEVUSMIAEDR-UHFFFAOYSA-N 1 2 262.309 1.432 20 30 CDEDLO CC[N@@H+](CCOc1cccc(C#N)c1)CC(=O)OC ZINC000299309449 373897601 /nfs/dbraw/zinc/89/76/01/373897601.db2.gz DPGKEVUSMIAEDR-UHFFFAOYSA-N 1 2 262.309 1.432 20 30 CDEDLO Cc1noc(C)c1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360071386 373999315 /nfs/dbraw/zinc/99/93/15/373999315.db2.gz ZNQJDAVLBBPSJJ-AWEZNQCLSA-N 1 2 284.319 1.479 20 30 CDEDLO Cc1nc(N(C)C)nc(NCCc2cccc(C#N)c2)[nH+]1 ZINC000359931731 373991730 /nfs/dbraw/zinc/99/17/30/373991730.db2.gz ZPNBPSFMBFAQDJ-UHFFFAOYSA-N 1 2 282.351 1.194 20 30 CDEDLO Cc1nc(NCCc2cccc(C#N)c2)nc(N(C)C)[nH+]1 ZINC000359931731 373991735 /nfs/dbraw/zinc/99/17/35/373991735.db2.gz ZPNBPSFMBFAQDJ-UHFFFAOYSA-N 1 2 282.351 1.194 20 30 CDEDLO CCNC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000073021990 374074048 /nfs/dbraw/zinc/07/40/48/374074048.db2.gz FLKWEYINPGDRLY-UHFFFAOYSA-N 1 2 272.352 1.405 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000610762373 374132098 /nfs/dbraw/zinc/13/20/98/374132098.db2.gz JXENYBJTIAEMFE-OLZOCXBDSA-N 1 2 285.384 1.356 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000610762373 374132100 /nfs/dbraw/zinc/13/21/00/374132100.db2.gz JXENYBJTIAEMFE-OLZOCXBDSA-N 1 2 285.384 1.356 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)ccc1F ZINC000368819933 374329516 /nfs/dbraw/zinc/32/95/16/374329516.db2.gz ZDAGFJTZXQXIGI-AWEZNQCLSA-N 1 2 275.327 1.214 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCN3CCOC[C@@H]3C2)ccc1F ZINC000368819933 374329521 /nfs/dbraw/zinc/32/95/21/374329521.db2.gz ZDAGFJTZXQXIGI-AWEZNQCLSA-N 1 2 275.327 1.214 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000106805863 374438229 /nfs/dbraw/zinc/43/82/29/374438229.db2.gz NKTIHIKXTFHWJX-AWEZNQCLSA-N 1 2 265.401 1.191 20 30 CDEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCOCC12CC2 ZINC000528495100 374449240 /nfs/dbraw/zinc/44/92/40/374449240.db2.gz XEGKSIFYDVVDIM-CQSZACIVSA-N 1 2 288.347 1.163 20 30 CDEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCOCC12CC2 ZINC000528495100 374449245 /nfs/dbraw/zinc/44/92/45/374449245.db2.gz XEGKSIFYDVVDIM-CQSZACIVSA-N 1 2 288.347 1.163 20 30 CDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc(C#N)cc1F ZINC000376183814 374542396 /nfs/dbraw/zinc/54/23/96/374542396.db2.gz DLESQRDDFILCRU-TZMCWYRMSA-N 1 2 289.354 1.997 20 30 CDEDLO C[C@@](C#N)(NC(=O)CN1CCC[C@@H]1c1[nH]cc[nH+]1)C1CC1 ZINC000332787946 374624862 /nfs/dbraw/zinc/62/48/62/374624862.db2.gz ILUNFGUOVJXGKX-DOMZBBRYSA-N 1 2 287.367 1.355 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000276811916 374750373 /nfs/dbraw/zinc/75/03/73/374750373.db2.gz YAHIATSGFKLUCB-SMDDNHRTSA-N 1 2 275.352 1.670 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000276811916 374750380 /nfs/dbraw/zinc/75/03/80/374750380.db2.gz YAHIATSGFKLUCB-SMDDNHRTSA-N 1 2 275.352 1.670 20 30 CDEDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000126365185 375124665 /nfs/dbraw/zinc/12/46/65/375124665.db2.gz DXIMHMFQGJSAJP-DOMZBBRYSA-N 1 2 276.336 1.019 20 30 CDEDLO C[C@@H]1CO[C@H](CO)C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000126365185 375124673 /nfs/dbraw/zinc/12/46/73/375124673.db2.gz DXIMHMFQGJSAJP-DOMZBBRYSA-N 1 2 276.336 1.019 20 30 CDEDLO N#Cc1ccccc1OCC[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000132601244 375534986 /nfs/dbraw/zinc/53/49/86/375534986.db2.gz JQVOLPQPLAWEPO-GJZGRUSLSA-N 1 2 299.374 1.680 20 30 CDEDLO N#Cc1ccccc1OCC[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000132601244 375534994 /nfs/dbraw/zinc/53/49/94/375534994.db2.gz JQVOLPQPLAWEPO-GJZGRUSLSA-N 1 2 299.374 1.680 20 30 CDEDLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC1(C#N)CC1 ZINC000343239539 375817425 /nfs/dbraw/zinc/81/74/25/375817425.db2.gz QORMRJUCALNDII-LLVKDONJSA-N 1 2 293.392 1.631 20 30 CDEDLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC1(C#N)CC1 ZINC000343239539 375817431 /nfs/dbraw/zinc/81/74/31/375817431.db2.gz QORMRJUCALNDII-LLVKDONJSA-N 1 2 293.392 1.631 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000123476900 375839205 /nfs/dbraw/zinc/83/92/05/375839205.db2.gz NLEAGUHBQYBVKE-GFCCVEGCSA-N 1 2 258.321 1.019 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000123476900 375839212 /nfs/dbraw/zinc/83/92/12/375839212.db2.gz NLEAGUHBQYBVKE-GFCCVEGCSA-N 1 2 258.321 1.019 20 30 CDEDLO Cc1noc([C@H](C)NC(=O)[C@H](C)[NH+]2CCSCC2)n1 ZINC000328951353 376019507 /nfs/dbraw/zinc/01/95/07/376019507.db2.gz LPUDFPYYXVEPSU-IUCAKERBSA-N 1 2 284.385 1.833 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000072692215 376803319 /nfs/dbraw/zinc/80/33/19/376803319.db2.gz WWEBMHQARQDPSC-UHFFFAOYSA-N 1 2 280.372 1.260 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+](CCC#N)CCC(C)C ZINC000072692215 376803322 /nfs/dbraw/zinc/80/33/22/376803322.db2.gz WWEBMHQARQDPSC-UHFFFAOYSA-N 1 2 280.372 1.260 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248471101 377280255 /nfs/dbraw/zinc/28/02/55/377280255.db2.gz VNZOOZTZKQQJBM-NWDGAFQWSA-N 1 2 293.323 1.568 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248471101 377280262 /nfs/dbraw/zinc/28/02/62/377280262.db2.gz VNZOOZTZKQQJBM-NWDGAFQWSA-N 1 2 293.323 1.568 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000563709139 377466085 /nfs/dbraw/zinc/46/60/85/377466085.db2.gz SUCVBQMXKGSPKU-CQSZACIVSA-N 1 2 279.384 1.249 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000563709139 377466095 /nfs/dbraw/zinc/46/60/95/377466095.db2.gz SUCVBQMXKGSPKU-CQSZACIVSA-N 1 2 279.384 1.249 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000076966063 377497580 /nfs/dbraw/zinc/49/75/80/377497580.db2.gz XCMDEBASRADYEO-AWEZNQCLSA-N 1 2 258.321 1.731 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000076966063 377497588 /nfs/dbraw/zinc/49/75/88/377497588.db2.gz XCMDEBASRADYEO-AWEZNQCLSA-N 1 2 258.321 1.731 20 30 CDEDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000120912616 377745221 /nfs/dbraw/zinc/74/52/21/377745221.db2.gz OFPGXZUKEJCSAJ-NSHDSACASA-N 1 2 298.383 1.952 20 30 CDEDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000120912616 377745231 /nfs/dbraw/zinc/74/52/31/377745231.db2.gz OFPGXZUKEJCSAJ-NSHDSACASA-N 1 2 298.383 1.952 20 30 CDEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425530475 377929512 /nfs/dbraw/zinc/92/95/12/377929512.db2.gz BAXWDSVLNYKZQI-TZMCWYRMSA-N 1 2 293.754 1.087 20 30 CDEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425530475 377929514 /nfs/dbraw/zinc/92/95/14/377929514.db2.gz BAXWDSVLNYKZQI-TZMCWYRMSA-N 1 2 293.754 1.087 20 30 CDEDLO Cn1cc[nH+]c1CN1CCN(c2cccc(F)c2C#N)CC1 ZINC000069348551 378015691 /nfs/dbraw/zinc/01/56/91/378015691.db2.gz GGXPXSWYUPMETM-UHFFFAOYSA-N 1 2 299.353 1.753 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000280553347 377965554 /nfs/dbraw/zinc/96/55/54/377965554.db2.gz JKJASOASZSGVAX-KBPBESRZSA-N 1 2 292.383 1.554 20 30 CDEDLO CC#CC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000283384130 378107926 /nfs/dbraw/zinc/10/79/26/378107926.db2.gz RUAPDIYMUUFPHW-MRXNPFEDSA-N 1 2 286.375 1.508 20 30 CDEDLO C#CCC[NH+]1CCN(c2ncccc2Br)CC1 ZINC000286324329 378206330 /nfs/dbraw/zinc/20/63/30/378206330.db2.gz BCIZUVKIVSCMOH-UHFFFAOYSA-N 1 2 294.196 1.989 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000192235496 378178824 /nfs/dbraw/zinc/17/88/24/378178824.db2.gz KGGBYVNGUBQJRI-VIFPVBQESA-N 1 2 252.264 1.857 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000192235496 378178834 /nfs/dbraw/zinc/17/88/34/378178834.db2.gz KGGBYVNGUBQJRI-VIFPVBQESA-N 1 2 252.264 1.857 20 30 CDEDLO C#CCOc1ccccc1C[N@H+](C)CC(=O)NC1CC1 ZINC000069631427 378452361 /nfs/dbraw/zinc/45/23/61/378452361.db2.gz IVCMOZFBOXCLBY-UHFFFAOYSA-N 1 2 272.348 1.409 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+](C)CC(=O)NC1CC1 ZINC000069631427 378452367 /nfs/dbraw/zinc/45/23/67/378452367.db2.gz IVCMOZFBOXCLBY-UHFFFAOYSA-N 1 2 272.348 1.409 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCc1cc(Cl)ccc1OC ZINC000293176849 378543786 /nfs/dbraw/zinc/54/37/86/378543786.db2.gz PLLWNGORBRUAOI-UHFFFAOYSA-N 1 2 294.782 1.920 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCc1cc(Cl)ccc1OC ZINC000293176849 378543791 /nfs/dbraw/zinc/54/37/91/378543791.db2.gz PLLWNGORBRUAOI-UHFFFAOYSA-N 1 2 294.782 1.920 20 30 CDEDLO CC#CC[N@H+](C)[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000293250483 378550248 /nfs/dbraw/zinc/55/02/48/378550248.db2.gz TWVNOFTYYCNGHI-GFCCVEGCSA-N 1 2 285.347 1.315 20 30 CDEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000293250483 378550255 /nfs/dbraw/zinc/55/02/55/378550255.db2.gz TWVNOFTYYCNGHI-GFCCVEGCSA-N 1 2 285.347 1.315 20 30 CDEDLO C=C1CC(C)(C(=O)N2CC[NH+](CCOCCOC)CC2)C1 ZINC000633582832 378560261 /nfs/dbraw/zinc/56/02/61/378560261.db2.gz QPMVMKPCTKXSLD-UHFFFAOYSA-N 1 2 296.411 1.150 20 30 CDEDLO C=CCCCS(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000293417898 378562129 /nfs/dbraw/zinc/56/21/29/378562129.db2.gz NJKZBWKRKRVAGL-UHFFFAOYSA-N 1 2 252.339 1.740 20 30 CDEDLO C=CCOCC[NH2+][C@@H](C)c1noc(COC(C)C)n1 ZINC000293451871 378567315 /nfs/dbraw/zinc/56/73/15/378567315.db2.gz CQEZKLHSLMRPQJ-NSHDSACASA-N 1 2 269.345 1.848 20 30 CDEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(CCC#N)CC2)C1 ZINC000066566539 378681628 /nfs/dbraw/zinc/68/16/28/378681628.db2.gz KFNUKHDOHJPLQB-CABCVRRESA-N 1 2 292.427 1.213 20 30 CDEDLO C#CCNC(=O)CCn1c[nH+]c2cc(C)c(C)cc21 ZINC000295838545 378709842 /nfs/dbraw/zinc/70/98/42/378709842.db2.gz CXTXIKSRSSRKMH-UHFFFAOYSA-N 1 2 255.321 1.793 20 30 CDEDLO N#Cc1cc(F)c(NCCC[N@@H+]2CCNC(=O)C2)c(F)c1 ZINC000278840076 194177404 /nfs/dbraw/zinc/17/74/04/194177404.db2.gz VXUXVCVYGZIHRY-UHFFFAOYSA-N 1 2 294.305 1.070 20 30 CDEDLO N#Cc1cc(F)c(NCCC[N@H+]2CCNC(=O)C2)c(F)c1 ZINC000278840076 194177405 /nfs/dbraw/zinc/17/74/05/194177405.db2.gz VXUXVCVYGZIHRY-UHFFFAOYSA-N 1 2 294.305 1.070 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000278910249 194207987 /nfs/dbraw/zinc/20/79/87/194207987.db2.gz QQCJOEFKGIGWTJ-MRXNPFEDSA-N 1 2 291.395 1.871 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cccc(C(C)=O)c2)CC1 ZINC000268794608 533053184 /nfs/dbraw/zinc/05/31/84/533053184.db2.gz HMAFBHMOESKNII-UHFFFAOYSA-N 1 2 284.359 1.670 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cncs1 ZINC001663146936 1172642919 /nfs/dbraw/zinc/64/29/19/1172642919.db2.gz ZWDOITZVDSPFGZ-UHFFFAOYSA-N 1 2 259.762 1.557 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cncs1 ZINC001663146936 1172642924 /nfs/dbraw/zinc/64/29/24/1172642924.db2.gz ZWDOITZVDSPFGZ-UHFFFAOYSA-N 1 2 259.762 1.557 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccnn2C(C)C)C1=O ZINC000281188396 195141513 /nfs/dbraw/zinc/14/15/13/195141513.db2.gz IFXGWSZYVWVJIP-AWEZNQCLSA-N 1 2 276.384 1.683 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccnn2C(C)C)C1=O ZINC000281188396 195141515 /nfs/dbraw/zinc/14/15/15/195141515.db2.gz IFXGWSZYVWVJIP-AWEZNQCLSA-N 1 2 276.384 1.683 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCCCCC)C1=O ZINC000281251976 195169022 /nfs/dbraw/zinc/16/90/22/195169022.db2.gz GWVYGMZTUXFHFI-ZDUSSCGKSA-N 1 2 281.400 1.012 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCCCCC)C1=O ZINC000281251976 195169024 /nfs/dbraw/zinc/16/90/24/195169024.db2.gz GWVYGMZTUXFHFI-ZDUSSCGKSA-N 1 2 281.400 1.012 20 30 CDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC(C)(C)C#N ZINC000355074416 227371984 /nfs/dbraw/zinc/37/19/84/227371984.db2.gz CQBCIQMVPSXWAF-CHWSQXEVSA-N 1 2 294.399 1.041 20 30 CDEDLO C=C(Br)C[N@H+](C)CCN1CCOCC1 ZINC000071900812 390154915 /nfs/dbraw/zinc/15/49/15/390154915.db2.gz NTBLDZCNXCXRTE-UHFFFAOYSA-N 1 2 263.179 1.159 20 30 CDEDLO C=C(Br)C[N@@H+](C)CCN1CCOCC1 ZINC000071900812 390154919 /nfs/dbraw/zinc/15/49/19/390154919.db2.gz NTBLDZCNXCXRTE-UHFFFAOYSA-N 1 2 263.179 1.159 20 30 CDEDLO CC1(C)CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H]1C#N ZINC000336149630 390450470 /nfs/dbraw/zinc/45/04/70/390450470.db2.gz VOXQQYWIKYODNF-CHWSQXEVSA-N 1 2 286.379 1.986 20 30 CDEDLO CC[N@H+](CCC#N)C[C@H](O)COc1ccc(C#N)cc1 ZINC000042450525 390484718 /nfs/dbraw/zinc/48/47/18/390484718.db2.gz PDOAOXMPEMLNGK-AWEZNQCLSA-N 1 2 273.336 1.534 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1ccc(C#N)cc1 ZINC000042450525 390484720 /nfs/dbraw/zinc/48/47/20/390484720.db2.gz PDOAOXMPEMLNGK-AWEZNQCLSA-N 1 2 273.336 1.534 20 30 CDEDLO N#CCN1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000105865584 390520754 /nfs/dbraw/zinc/52/07/54/390520754.db2.gz TWGFJSXZDXSPFP-UHFFFAOYSA-N 1 2 281.363 1.513 20 30 CDEDLO C[C@H](C#N)C[N@H+](C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC000338380640 390661671 /nfs/dbraw/zinc/66/16/71/390661671.db2.gz MEFNBUXHQZCTMV-ORIJERBGSA-N 1 2 295.427 1.081 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC000338380640 390661672 /nfs/dbraw/zinc/66/16/72/390661672.db2.gz MEFNBUXHQZCTMV-ORIJERBGSA-N 1 2 295.427 1.081 20 30 CDEDLO Cc1ccc(NC(=O)C(=O)N[C@H](C)CC#N)c(C)[nH+]1 ZINC000123091337 390908889 /nfs/dbraw/zinc/90/88/89/390908889.db2.gz PRIIHKVCHVJBDF-SECBINFHSA-N 1 2 260.297 1.055 20 30 CDEDLO C=CCCOCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000155092396 390917452 /nfs/dbraw/zinc/91/74/52/390917452.db2.gz URHPTCLQBBJXNH-LBPRGKRZSA-N 1 2 263.341 1.154 20 30 CDEDLO N#CCC[C@H](C#N)CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000125393731 390918172 /nfs/dbraw/zinc/91/81/72/390918172.db2.gz ODQNLIIHHFMMBW-MRXNPFEDSA-N 1 2 298.390 1.953 20 30 CDEDLO Cn1ccc(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)n1 ZINC000329578850 391019939 /nfs/dbraw/zinc/01/99/39/391019939.db2.gz WKBBWEBZUDSOIY-CQSZACIVSA-N 1 2 292.383 1.520 20 30 CDEDLO Cn1ccc(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)n1 ZINC000329578850 391019943 /nfs/dbraw/zinc/01/99/43/391019943.db2.gz WKBBWEBZUDSOIY-CQSZACIVSA-N 1 2 292.383 1.520 20 30 CDEDLO Cc1noc([C@H]2CCCN2C(=O)NCc2c[nH+]cn2C)n1 ZINC000329596020 391023724 /nfs/dbraw/zinc/02/37/24/391023724.db2.gz IMJBVXJIHXDHQB-LLVKDONJSA-N 1 2 290.327 1.363 20 30 CDEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@H]1CCCOC1 ZINC000329428334 390986806 /nfs/dbraw/zinc/98/68/06/390986806.db2.gz JMERGKUCQZFMHS-RYUDHWBXSA-N 1 2 278.356 1.443 20 30 CDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H](CO)C1CCCC1 ZINC000329618600 391033799 /nfs/dbraw/zinc/03/37/99/391033799.db2.gz QOPUOCJAJYKICA-STQMWFEESA-N 1 2 292.383 1.253 20 30 CDEDLO [O-]C(N[C@@H](CO)C1CCCC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000329618600 391033802 /nfs/dbraw/zinc/03/38/02/391033802.db2.gz QOPUOCJAJYKICA-STQMWFEESA-N 1 2 292.383 1.253 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000491395225 391108358 /nfs/dbraw/zinc/10/83/58/391108358.db2.gz REXUBPILTMJJRT-NSHDSACASA-N 1 2 287.319 1.437 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000491395225 391108363 /nfs/dbraw/zinc/10/83/63/391108363.db2.gz REXUBPILTMJJRT-NSHDSACASA-N 1 2 287.319 1.437 20 30 CDEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(F)(C#N)CC2)C1 ZINC000352458728 391145404 /nfs/dbraw/zinc/14/54/04/391145404.db2.gz OEQPVRWRWBVKIX-BETUJISGSA-N 1 2 281.375 1.819 20 30 CDEDLO C=CCOCCCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376184743 391217269 /nfs/dbraw/zinc/21/72/69/391217269.db2.gz CEBMZEIQIUVOCN-LSDHHAIUSA-N 1 2 296.411 1.291 20 30 CDEDLO C=CCCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376199190 391217470 /nfs/dbraw/zinc/21/74/70/391217470.db2.gz RIGIBOFBWGDTGI-CHWSQXEVSA-N 1 2 252.358 1.274 20 30 CDEDLO C#CCCCCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000375905899 391204935 /nfs/dbraw/zinc/20/49/35/391204935.db2.gz ZETDDPRRHUPEKO-CABCVRRESA-N 1 2 278.396 1.502 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccco1 ZINC000345767371 391311118 /nfs/dbraw/zinc/31/11/18/391311118.db2.gz GUVNVPUQOGTEDW-LLVKDONJSA-N 1 2 261.325 1.662 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccco1 ZINC000345767371 391311122 /nfs/dbraw/zinc/31/11/22/391311122.db2.gz GUVNVPUQOGTEDW-LLVKDONJSA-N 1 2 261.325 1.662 20 30 CDEDLO N#Cc1cccc(C#N)c1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000436384701 391342200 /nfs/dbraw/zinc/34/22/00/391342200.db2.gz GRWIWODBVYXWQG-UHFFFAOYSA-N 1 2 292.346 1.475 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCCCOc1cccc(C)c1 ZINC000339752127 391345741 /nfs/dbraw/zinc/34/57/41/391345741.db2.gz KGUDCMKAIFFUNN-UHFFFAOYSA-N 1 2 288.391 1.835 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCCCOc1cccc(C)c1 ZINC000339752127 391345744 /nfs/dbraw/zinc/34/57/44/391345744.db2.gz KGUDCMKAIFFUNN-UHFFFAOYSA-N 1 2 288.391 1.835 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N(CCC#N)Cc1cccnc1 ZINC000346329784 391348776 /nfs/dbraw/zinc/34/87/76/391348776.db2.gz LKDMSXHYRUDSMQ-UHFFFAOYSA-N 1 2 283.335 1.598 20 30 CDEDLO Cc1ccc(F)c(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)c1 ZINC000330444923 391433874 /nfs/dbraw/zinc/43/38/74/391433874.db2.gz GMZJILXYXPJWDO-GFCCVEGCSA-N 1 2 296.342 1.132 20 30 CDEDLO CC[C@]1(C)COCC[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000330512065 391435558 /nfs/dbraw/zinc/43/55/58/391435558.db2.gz KFCMCNGBAGVAIP-HUUCEWRRSA-N 1 2 281.400 1.542 20 30 CDEDLO CC[C@]1(C)COCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000330512065 391435559 /nfs/dbraw/zinc/43/55/59/391435559.db2.gz KFCMCNGBAGVAIP-HUUCEWRRSA-N 1 2 281.400 1.542 20 30 CDEDLO N#CC[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000597901570 391516720 /nfs/dbraw/zinc/51/67/20/391516720.db2.gz XMZMAXFIBFCDIQ-CHWSQXEVSA-N 1 2 272.352 1.598 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000366581275 391635040 /nfs/dbraw/zinc/63/50/40/391635040.db2.gz YVNXGOZNRNVMST-WDEREUQCSA-N 1 2 276.174 1.775 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000366581275 391635042 /nfs/dbraw/zinc/63/50/42/391635042.db2.gz YVNXGOZNRNVMST-WDEREUQCSA-N 1 2 276.174 1.775 20 30 CDEDLO C=CCOCC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000358962416 391569859 /nfs/dbraw/zinc/56/98/59/391569859.db2.gz ZGZNCCLGHQQELS-AWEZNQCLSA-N 1 2 289.379 1.489 20 30 CDEDLO N#Cc1ccccc1OCC[N@H+]1CCC[C@@]12CCOC2=O ZINC000186748191 391681910 /nfs/dbraw/zinc/68/19/10/391681910.db2.gz YLOAIQFWUBTUJW-INIZCTEOSA-N 1 2 286.331 1.719 20 30 CDEDLO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@]12CCOC2=O ZINC000186748191 391681913 /nfs/dbraw/zinc/68/19/13/391681913.db2.gz YLOAIQFWUBTUJW-INIZCTEOSA-N 1 2 286.331 1.719 20 30 CDEDLO CCOc1ccc(C[NH+]2CCN(CC#N)CC2)cc1OC ZINC000092936508 391712886 /nfs/dbraw/zinc/71/28/86/391712886.db2.gz ACAOYULPRCOQJP-UHFFFAOYSA-N 1 2 289.379 1.735 20 30 CDEDLO C=CCn1cc(C(=O)N[C@H](C)c2[nH+]ccn2CC)nn1 ZINC000648410850 391741891 /nfs/dbraw/zinc/74/18/91/391741891.db2.gz KBWVNENPWXSEDD-SNVBAGLBSA-N 1 2 274.328 1.172 20 30 CDEDLO CO[C@@H]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000329962911 391807209 /nfs/dbraw/zinc/80/72/09/391807209.db2.gz SYSTYRXIZHPXAS-NTZNESFSSA-N 1 2 263.341 1.970 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000372120011 391838572 /nfs/dbraw/zinc/83/85/72/391838572.db2.gz JLQHXSGAOZGJNS-HNNXBMFYSA-N 1 2 296.411 1.313 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000372120011 391838578 /nfs/dbraw/zinc/83/85/78/391838578.db2.gz JLQHXSGAOZGJNS-HNNXBMFYSA-N 1 2 296.411 1.313 20 30 CDEDLO CC(C)(C)[C@H](C#N)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000335965688 391840070 /nfs/dbraw/zinc/84/00/70/391840070.db2.gz BBPLZPNDFMQRKS-JQWIXIFHSA-N 1 2 260.341 1.500 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c(C#N)c1C ZINC000230654432 391905967 /nfs/dbraw/zinc/90/59/67/391905967.db2.gz YGZLIVNKWBDCPN-TVQRCGJNSA-N 1 2 291.351 1.409 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c(C#N)c1C ZINC000230654432 391905975 /nfs/dbraw/zinc/90/59/75/391905975.db2.gz YGZLIVNKWBDCPN-TVQRCGJNSA-N 1 2 291.351 1.409 20 30 CDEDLO COC(=O)N1CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000496859092 391928592 /nfs/dbraw/zinc/92/85/92/391928592.db2.gz RBPRZTAGDLPSNN-UHFFFAOYSA-N 1 2 273.336 1.751 20 30 CDEDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192015978 392011959 /nfs/dbraw/zinc/01/19/59/392011959.db2.gz KMWHLSXTZVGHLR-CQSZACIVSA-N 1 2 275.327 1.654 20 30 CDEDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192015978 392011961 /nfs/dbraw/zinc/01/19/61/392011961.db2.gz KMWHLSXTZVGHLR-CQSZACIVSA-N 1 2 275.327 1.654 20 30 CDEDLO N#CCCN(CCC#N)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000343161413 392099076 /nfs/dbraw/zinc/09/90/76/392099076.db2.gz NQTDFOJTUMABBY-UHFFFAOYSA-N 1 2 298.337 1.619 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCOC3(CCC3)C2)C1=O ZINC000334414383 392129259 /nfs/dbraw/zinc/12/92/59/392129259.db2.gz MLSLLOQHKCUISN-GFCCVEGCSA-N 1 2 250.342 1.028 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCOC3(CCC3)C2)C1=O ZINC000334414383 392129263 /nfs/dbraw/zinc/12/92/63/392129263.db2.gz MLSLLOQHKCUISN-GFCCVEGCSA-N 1 2 250.342 1.028 20 30 CDEDLO C#CC[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2C#N)CC1 ZINC000491786535 392571283 /nfs/dbraw/zinc/57/12/83/392571283.db2.gz UHJNKRMCKBMWRY-UHFFFAOYSA-N 1 2 284.319 1.530 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000266966540 131804382 /nfs/dbraw/zinc/80/43/82/131804382.db2.gz JQQWGDOSNKQDCR-NSHDSACASA-N 1 2 284.319 1.674 20 30 CDEDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488991123 392847530 /nfs/dbraw/zinc/84/75/30/392847530.db2.gz WVSKTCBGYRSIRR-HUUCEWRRSA-N 1 2 288.347 1.365 20 30 CDEDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488991123 392847533 /nfs/dbraw/zinc/84/75/33/392847533.db2.gz WVSKTCBGYRSIRR-HUUCEWRRSA-N 1 2 288.347 1.365 20 30 CDEDLO CCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425227596 392997871 /nfs/dbraw/zinc/99/78/71/392997871.db2.gz RQSJGDXKRFJQTL-ZDUSSCGKSA-N 1 2 272.352 1.757 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)[C@H](C(N)=O)C1 ZINC000192206651 393155112 /nfs/dbraw/zinc/15/51/12/393155112.db2.gz YSPQIACRHZWGEH-HZMBPMFUSA-N 1 2 275.327 1.783 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@H](C(N)=O)C1 ZINC000192206651 393155122 /nfs/dbraw/zinc/15/51/22/393155122.db2.gz YSPQIACRHZWGEH-HZMBPMFUSA-N 1 2 275.327 1.783 20 30 CDEDLO CC(=O)c1ccc(C#N)c(N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000275044671 135102683 /nfs/dbraw/zinc/10/26/83/135102683.db2.gz REICRNITQXGKFI-LBPRGKRZSA-N 1 2 287.363 1.264 20 30 CDEDLO CN1CC[N@H+](C)[C@@H](CNc2cccc(Cl)c2C#N)C1 ZINC000225343667 140174673 /nfs/dbraw/zinc/17/46/73/140174673.db2.gz OJNVXCFREXFKNV-NSHDSACASA-N 1 2 278.787 1.869 20 30 CDEDLO CN1CC[N@@H+](C)[C@@H](CNc2cccc(Cl)c2C#N)C1 ZINC000225343667 140174674 /nfs/dbraw/zinc/17/46/74/140174674.db2.gz OJNVXCFREXFKNV-NSHDSACASA-N 1 2 278.787 1.869 20 30 CDEDLO CCOC(=O)[C@@H]1CCC[N@@H+]1CCOc1ccccc1C#N ZINC000182271690 148252403 /nfs/dbraw/zinc/25/24/03/148252403.db2.gz QVGSQMSLQKZFGV-AWEZNQCLSA-N 1 2 288.347 1.965 20 30 CDEDLO CCOC(=O)[C@@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC000182271690 148252406 /nfs/dbraw/zinc/25/24/06/148252406.db2.gz QVGSQMSLQKZFGV-AWEZNQCLSA-N 1 2 288.347 1.965 20 30 CDEDLO N#Cc1cccc(CCNC(=O)NCCCn2cc[nH+]c2)c1 ZINC000346016896 153025491 /nfs/dbraw/zinc/02/54/91/153025491.db2.gz PIZOUWCKHJHZTD-UHFFFAOYSA-N 1 2 297.362 1.687 20 30 CDEDLO Cc1c(C#N)cccc1-c1nc([C@H]2C[NH+]3CCN2CC3)no1 ZINC000346790562 153302525 /nfs/dbraw/zinc/30/25/25/153302525.db2.gz JKGHKHOENACKNT-CQSZACIVSA-N 1 2 295.346 1.589 20 30 CDEDLO C=CCN(C(=O)NCCCn1cc[nH+]c1)[C@@H](C)COC ZINC000656541127 413396157 /nfs/dbraw/zinc/39/61/57/413396157.db2.gz FGISQEKTLUVQLS-ZDUSSCGKSA-N 1 2 280.372 1.506 20 30 CDEDLO C=CCN1CC[C@@H]([NH2+]C(C)(C)c2nc(C)cc(=O)[nH]2)C1=O ZINC000660749335 413439180 /nfs/dbraw/zinc/43/91/80/413439180.db2.gz IVJSRJYXRFNTFC-LLVKDONJSA-N 1 2 290.367 1.102 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664830406 413675312 /nfs/dbraw/zinc/67/53/12/413675312.db2.gz VYJRHCVOGJIYPI-AWEZNQCLSA-N 1 2 259.353 1.767 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664830406 413675315 /nfs/dbraw/zinc/67/53/15/413675315.db2.gz VYJRHCVOGJIYPI-AWEZNQCLSA-N 1 2 259.353 1.767 20 30 CDEDLO C=CC[N@H+](Cc1nc([C@H](C)OC)no1)[C@@H](C)COC ZINC000661243912 413915954 /nfs/dbraw/zinc/91/59/54/413915954.db2.gz PMLFDGOUXDUOLM-QWRGUYRKSA-N 1 2 269.345 1.800 20 30 CDEDLO C=CC[N@@H+](Cc1nc([C@H](C)OC)no1)[C@@H](C)COC ZINC000661243912 413915959 /nfs/dbraw/zinc/91/59/59/413915959.db2.gz PMLFDGOUXDUOLM-QWRGUYRKSA-N 1 2 269.345 1.800 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@@H](C)c1nnc(-c2cccs2)o1 ZINC000662167337 414547222 /nfs/dbraw/zinc/54/72/22/414547222.db2.gz ANCFRBIYVJHCIS-DTWKUNHWSA-N 1 2 265.338 1.996 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000071336033 176127255 /nfs/dbraw/zinc/12/72/55/176127255.db2.gz YTVHQWWOQBPGJB-JTQLQIEISA-N 1 2 253.346 1.888 20 30 CDEDLO N#Cc1cccc(C[NH+]2CCN(Cc3ccon3)CC2)c1 ZINC000075857064 176805865 /nfs/dbraw/zinc/80/58/65/176805865.db2.gz FNCSXENEKNRWTN-UHFFFAOYSA-N 1 2 282.347 1.864 20 30 CDEDLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000330019761 228018002 /nfs/dbraw/zinc/01/80/02/228018002.db2.gz VPKKXZCSBGJRSA-YNEHKIRRSA-N 1 2 281.400 1.194 20 30 CDEDLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000330019761 228018004 /nfs/dbraw/zinc/01/80/04/228018004.db2.gz VPKKXZCSBGJRSA-YNEHKIRRSA-N 1 2 281.400 1.194 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CCc1ccnn1C ZINC000330023730 228019693 /nfs/dbraw/zinc/01/96/93/228019693.db2.gz JDDLOGSRYSZNCK-LBPRGKRZSA-N 1 2 280.372 1.030 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)CCc1ccnn1C ZINC000330023730 228019694 /nfs/dbraw/zinc/01/96/94/228019694.db2.gz JDDLOGSRYSZNCK-LBPRGKRZSA-N 1 2 280.372 1.030 20 30 CDEDLO O=C(NC[C@@H]1CCCO1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000330081570 228034686 /nfs/dbraw/zinc/03/46/86/228034686.db2.gz KAPIBAUSEHHRCW-UONOGXRCSA-N 1 2 282.384 1.765 20 30 CDEDLO O=C(NC[C@@H]1CCCO1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000330081570 228034689 /nfs/dbraw/zinc/03/46/89/228034689.db2.gz KAPIBAUSEHHRCW-UONOGXRCSA-N 1 2 282.384 1.765 20 30 CDEDLO Cc1nccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000330156426 228051837 /nfs/dbraw/zinc/05/18/37/228051837.db2.gz OSMUJOJEYNNDQE-LLVKDONJSA-N 1 2 286.339 1.933 20 30 CDEDLO C[C@H](NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCCOC1 ZINC000330191673 228061375 /nfs/dbraw/zinc/06/13/75/228061375.db2.gz NGNGAGVXVFGOJG-RWMBFGLXSA-N 1 2 292.383 1.517 20 30 CDEDLO C[C@H]([NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCCOC1 ZINC000330191673 228061377 /nfs/dbraw/zinc/06/13/77/228061377.db2.gz NGNGAGVXVFGOJG-RWMBFGLXSA-N 1 2 292.383 1.517 20 30 CDEDLO Cc1cccc2ncc(C[NH+]3CCN(CC#N)CC3)n21 ZINC000353154441 228064511 /nfs/dbraw/zinc/06/45/11/228064511.db2.gz MISZXFDZFXYXLB-UHFFFAOYSA-N 1 2 269.352 1.284 20 30 CDEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)NC[C@@H]1CCCOC1 ZINC000330230324 228073355 /nfs/dbraw/zinc/07/33/55/228073355.db2.gz DMMUBYVCSZIXIO-QWHCGFSZSA-N 1 2 292.383 1.691 20 30 CDEDLO N#CCCCCS(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000332360119 228157075 /nfs/dbraw/zinc/15/70/75/228157075.db2.gz BCXJLTSDXRYGFD-LLVKDONJSA-N 1 2 282.369 1.570 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000299196674 260173981 /nfs/dbraw/zinc/17/39/81/260173981.db2.gz FEQYQYFZZANHKP-AWEZNQCLSA-N 1 2 286.350 1.741 20 30 CDEDLO CCCCNC(=O)CO[NH+]=C(N)c1cccc(Cl)c1 ZINC000048376233 260198990 /nfs/dbraw/zinc/19/89/90/260198990.db2.gz CVGADKWNIOXINZ-UHFFFAOYSA-N 1 2 283.759 1.893 20 30 CDEDLO Cc1occc1C[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000048922298 260202409 /nfs/dbraw/zinc/20/24/09/260202409.db2.gz AEJZQAWNVRIFKS-OAHLLOKOSA-N 1 2 275.352 1.828 20 30 CDEDLO Cc1occc1C[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000048922298 260202410 /nfs/dbraw/zinc/20/24/10/260202410.db2.gz AEJZQAWNVRIFKS-OAHLLOKOSA-N 1 2 275.352 1.828 20 30 CDEDLO CCCON=C(N)C[NH+]1CCN(c2ccccc2)CC1 ZINC000085260828 260372130 /nfs/dbraw/zinc/37/21/30/260372130.db2.gz INXLSZJYKDLZGE-UHFFFAOYSA-N 1 2 276.384 1.507 20 30 CDEDLO C=CCCC(=O)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000102324939 261212496 /nfs/dbraw/zinc/21/24/96/261212496.db2.gz ILSGSJCEUPWZBD-UHFFFAOYSA-N 1 2 293.411 1.109 20 30 CDEDLO N#CCCCCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174725304 261581506 /nfs/dbraw/zinc/58/15/06/261581506.db2.gz RKPOFZZJXAFCFD-CQSZACIVSA-N 1 2 294.399 1.186 20 30 CDEDLO C=CC1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000111433633 262263268 /nfs/dbraw/zinc/26/32/68/262263268.db2.gz UHMDSQRLKDGCQU-UHFFFAOYSA-N 1 2 295.427 1.705 20 30 CDEDLO O=C1OC[C@@H]2C[N@H+](CC#Cc3ccccc3)CCN12 ZINC000365233551 262353481 /nfs/dbraw/zinc/35/34/81/262353481.db2.gz JMODAXWYEAOLGI-AWEZNQCLSA-N 1 2 256.305 1.175 20 30 CDEDLO O=C1OC[C@@H]2C[N@@H+](CC#Cc3ccccc3)CCN12 ZINC000365233551 262353483 /nfs/dbraw/zinc/35/34/83/262353483.db2.gz JMODAXWYEAOLGI-AWEZNQCLSA-N 1 2 256.305 1.175 20 30 CDEDLO Cc1ccc(CC(=O)N2CC[NH+](CCCC#N)CC2)cc1 ZINC000263656617 262851096 /nfs/dbraw/zinc/85/10/96/262851096.db2.gz CQBHSCBQDYFNBM-UHFFFAOYSA-N 1 2 285.391 1.986 20 30 CDEDLO N#CCCCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000273126213 263012923 /nfs/dbraw/zinc/01/29/23/263012923.db2.gz HXWGFGSBSLUWTB-UHFFFAOYSA-N 1 2 271.324 1.480 20 30 CDEDLO COc1cccc(/C=N/CC2([NH+]3CCOCC3)CC2)c1O ZINC000277609635 263042270 /nfs/dbraw/zinc/04/22/70/263042270.db2.gz XVPMMLCUJFWBRR-GZTJUZNOSA-N 1 2 290.363 1.685 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C#N)C1CCCCC1 ZINC000279374326 263055001 /nfs/dbraw/zinc/05/50/01/263055001.db2.gz HHYSSWSMHCXVKU-ZDUSSCGKSA-N 1 2 260.341 1.849 20 30 CDEDLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C#N)C1CCCCC1 ZINC000279374326 263055002 /nfs/dbraw/zinc/05/50/02/263055002.db2.gz HHYSSWSMHCXVKU-ZDUSSCGKSA-N 1 2 260.341 1.849 20 30 CDEDLO C[C@@H](O[NH+]=C(N)[C@H]1CCCO1)C(=O)Nc1cccc(F)c1 ZINC000283961594 263085003 /nfs/dbraw/zinc/08/50/03/263085003.db2.gz GCBGWKORIZJVNA-BXKDBHETSA-N 1 2 295.314 1.621 20 30 CDEDLO COC(=O)c1ccoc1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000283939619 263085063 /nfs/dbraw/zinc/08/50/63/263085063.db2.gz FIRXAOWXVFBMQB-VIFPVBQESA-N 1 2 268.269 1.034 20 30 CDEDLO NC(=[NH+]OCc1nc(-c2ccccc2)no1)[C@H]1CCCO1 ZINC000284532695 263087410 /nfs/dbraw/zinc/08/74/10/263087410.db2.gz VBVXJZRNFJJMJM-LLVKDONJSA-N 1 2 288.307 1.704 20 30 CDEDLO CN1C(=O)C[C@@H]([NH2+]CCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000298385257 263218799 /nfs/dbraw/zinc/21/87/99/263218799.db2.gz DMYCKHYOAQCYPG-OCCSQVGLSA-N 1 2 279.290 1.740 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000121533760 263294436 /nfs/dbraw/zinc/29/44/36/263294436.db2.gz FUQIYEZGEUMLOC-UHFFFAOYSA-N 1 2 259.309 1.090 20 30 CDEDLO C=CC[N@H+](C)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000121533760 263294439 /nfs/dbraw/zinc/29/44/39/263294439.db2.gz FUQIYEZGEUMLOC-UHFFFAOYSA-N 1 2 259.309 1.090 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000341858761 263355839 /nfs/dbraw/zinc/35/58/39/263355839.db2.gz JDWHUMPKIUVGTC-CYBMUJFWSA-N 1 2 292.383 1.131 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)COc1ccsc1 ZINC000328659977 263834537 /nfs/dbraw/zinc/83/45/37/263834537.db2.gz UNTVMKDFPZFJTM-NSHDSACASA-N 1 2 284.381 1.804 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCn2cc[nH+]c2C1 ZINC000330775558 264034942 /nfs/dbraw/zinc/03/49/42/264034942.db2.gz HQSFEXWDYQLQDC-SWLSCSKDSA-N 1 2 289.383 1.142 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000330788685 264053611 /nfs/dbraw/zinc/05/36/11/264053611.db2.gz RCORRNBDLMNASG-RYUDHWBXSA-N 1 2 255.362 1.175 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000330788685 264053614 /nfs/dbraw/zinc/05/36/14/264053614.db2.gz RCORRNBDLMNASG-RYUDHWBXSA-N 1 2 255.362 1.175 20 30 CDEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CCCC#N)C1 ZINC000330906432 264074436 /nfs/dbraw/zinc/07/44/36/264074436.db2.gz VMNLKRWMFGPKPV-ZDUSSCGKSA-N 1 2 274.368 1.895 20 30 CDEDLO CC(C)=CCCNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000331061256 264110546 /nfs/dbraw/zinc/11/05/46/264110546.db2.gz CDHIOWFYZIYFRW-CYBMUJFWSA-N 1 2 269.389 1.567 20 30 CDEDLO CCN1CCN(C(=O)NCCCOC)C[C@H]1c1[nH]cc[nH+]1 ZINC000331203515 264160469 /nfs/dbraw/zinc/16/04/69/264160469.db2.gz RKHGWCWHUQOCHR-LBPRGKRZSA-N 1 2 295.387 1.039 20 30 CDEDLO CCNC(=O)[C@@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331339473 264194131 /nfs/dbraw/zinc/19/41/31/264194131.db2.gz RUNPCRIZOYNALS-LLVKDONJSA-N 1 2 278.356 1.857 20 30 CDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1c[nH]c(C#N)c1 ZINC000331352093 264206867 /nfs/dbraw/zinc/20/68/67/264206867.db2.gz OMQLMJSNLRWAII-UHFFFAOYSA-N 1 2 276.340 1.302 20 30 CDEDLO C=CCOC[C@@H]([NH2+]C1CCC(OC)CC1)C(=O)OC ZINC000361112792 266786579 /nfs/dbraw/zinc/78/65/79/266786579.db2.gz JGFSDXCCVRFNKQ-WXRRBKDZSA-N 1 2 271.357 1.278 20 30 CDEDLO C=C[C@H](C)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000362613968 267022376 /nfs/dbraw/zinc/02/23/76/267022376.db2.gz MJCNIQSUTXYBLM-ZDUSSCGKSA-N 1 2 274.364 1.823 20 30 CDEDLO CC(C)(C#N)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000368767414 267202707 /nfs/dbraw/zinc/20/27/07/267202707.db2.gz USTWSIJGPBQEEV-UHFFFAOYSA-N 1 2 260.341 1.428 20 30 CDEDLO CN(C(=O)C=Cc1c[nH]c[nH+]1)c1cccc(C#N)c1 ZINC000492859967 267269388 /nfs/dbraw/zinc/26/93/88/267269388.db2.gz HFRYRERADOSDMF-AATRIKPKSA-N 1 2 252.277 1.958 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000370034181 267284728 /nfs/dbraw/zinc/28/47/28/267284728.db2.gz XBYHXOGBFXIJHW-DZGCQCFKSA-N 1 2 278.396 1.686 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000370034181 267284730 /nfs/dbraw/zinc/28/47/30/267284730.db2.gz XBYHXOGBFXIJHW-DZGCQCFKSA-N 1 2 278.396 1.686 20 30 CDEDLO CN(Cc1c[nH+]cn1C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000530756999 267323926 /nfs/dbraw/zinc/32/39/26/267323926.db2.gz MWFNLOVVRYQTCP-UHFFFAOYSA-N 1 2 290.348 1.112 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000371462637 267409263 /nfs/dbraw/zinc/40/92/63/267409263.db2.gz FJJOGJWYMLSCHD-UHFFFAOYSA-N 1 2 279.771 1.982 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000371462637 267409265 /nfs/dbraw/zinc/40/92/65/267409265.db2.gz FJJOGJWYMLSCHD-UHFFFAOYSA-N 1 2 279.771 1.982 20 30 CDEDLO C#CCN(CC)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000375673838 267885572 /nfs/dbraw/zinc/88/55/72/267885572.db2.gz RBNRLWKAJZDVGS-CQSZACIVSA-N 1 2 264.369 1.112 20 30 CDEDLO C#CCN(CC)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000375673838 267885575 /nfs/dbraw/zinc/88/55/75/267885575.db2.gz RBNRLWKAJZDVGS-CQSZACIVSA-N 1 2 264.369 1.112 20 30 CDEDLO Cc1nnc(N2CC(n3cc[nH+]c3)C2)c(C#N)c1C ZINC000531577808 268095012 /nfs/dbraw/zinc/09/50/12/268095012.db2.gz QZYGEFDZWBOBGT-UHFFFAOYSA-N 1 2 254.297 1.223 20 30 CDEDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000351646197 288328312 /nfs/dbraw/zinc/32/83/12/288328312.db2.gz ZLVANXKWTNUDRT-KBPBESRZSA-N 1 2 292.383 1.142 20 30 CDEDLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000351646197 288328314 /nfs/dbraw/zinc/32/83/14/288328314.db2.gz ZLVANXKWTNUDRT-KBPBESRZSA-N 1 2 292.383 1.142 20 30 CDEDLO CC(C)([NH2+]Cc1ccc(C#N)cn1)c1nnc2n1CCCC2 ZINC000564583858 293376123 /nfs/dbraw/zinc/37/61/23/293376123.db2.gz GXXVKIKXYNKZGM-UHFFFAOYSA-N 1 2 296.378 1.906 20 30 CDEDLO Cn1cc(C[NH2+]Cc2ccn[nH]2)c(-c2ccc(C#N)cc2)n1 ZINC000180179481 316004064 /nfs/dbraw/zinc/00/40/64/316004064.db2.gz VFVQZIJMZHDBMV-UHFFFAOYSA-N 1 2 292.346 1.972 20 30 CDEDLO Cc1scc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1C ZINC000563220957 327979847 /nfs/dbraw/zinc/97/98/47/327979847.db2.gz XVNYBDHOSXCCRA-ZDUSSCGKSA-N 1 2 265.382 1.939 20 30 CDEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000272972253 328202507 /nfs/dbraw/zinc/20/25/07/328202507.db2.gz KXDNLJFRAJYACH-FZMZJTMJSA-N 1 2 289.335 1.247 20 30 CDEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000272972253 328202508 /nfs/dbraw/zinc/20/25/08/328202508.db2.gz KXDNLJFRAJYACH-FZMZJTMJSA-N 1 2 289.335 1.247 20 30 CDEDLO Cc1c[nH+]c(C)nc1N1CCN(c2cccc(C#N)n2)CC1 ZINC000582191992 324928822 /nfs/dbraw/zinc/92/88/22/324928822.db2.gz UAESSZSBFTWLEA-UHFFFAOYSA-N 1 2 294.362 1.687 20 30 CDEDLO CCc1nnc(C[NH+]2CCC(CCC#N)CC2)n1C ZINC000583932593 326800465 /nfs/dbraw/zinc/80/04/65/326800465.db2.gz XULKGNFTTJCNQB-UHFFFAOYSA-N 1 2 261.373 1.893 20 30 CDEDLO C[C@H](Cc1ccccc1F)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000566309993 327299907 /nfs/dbraw/zinc/29/99/07/327299907.db2.gz ZEUIYELTDVPGJO-WBMJQRKESA-N 1 2 291.370 1.964 20 30 CDEDLO CN1CC[C@@H](O[NH+]=C(N)Cc2ccccc2Cl)C1=O ZINC000116267593 327306237 /nfs/dbraw/zinc/30/62/37/327306237.db2.gz DSZARIQQUWEOAK-LLVKDONJSA-N 1 2 281.743 1.402 20 30 CDEDLO N#Cc1cnn2cc(C[NH2+]CC3(C#N)CCC3)cnc12 ZINC000570045645 327565618 /nfs/dbraw/zinc/56/56/18/327565618.db2.gz ISMWHDFTDBNHCK-UHFFFAOYSA-N 1 2 266.308 1.384 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CCOC[C@@H]2CC(=O)OC)cc1 ZINC000377871342 329032738 /nfs/dbraw/zinc/03/27/38/329032738.db2.gz YVOUXYKFGCPCID-HNNXBMFYSA-N 1 2 273.332 1.432 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CCOC[C@@H]2CC(=O)OC)cc1 ZINC000377871342 329032739 /nfs/dbraw/zinc/03/27/39/329032739.db2.gz YVOUXYKFGCPCID-HNNXBMFYSA-N 1 2 273.332 1.432 20 30 CDEDLO C=CC[N@@H+](Cc1cccc(C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000179819310 329212501 /nfs/dbraw/zinc/21/25/01/329212501.db2.gz UAKCKUSJRVVPHG-AWEZNQCLSA-N 1 2 295.404 1.876 20 30 CDEDLO C=CC[N@H+](Cc1cccc(C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000179819310 329212503 /nfs/dbraw/zinc/21/25/03/329212503.db2.gz UAKCKUSJRVVPHG-AWEZNQCLSA-N 1 2 295.404 1.876 20 30 CDEDLO CC[C@@H]1C[NH+](CC(=O)N(CC)C[C@H](C)C#N)C[C@@H](CC)O1 ZINC000420959243 329791656 /nfs/dbraw/zinc/79/16/56/329791656.db2.gz QCYUKTJQYNJITH-RBSFLKMASA-N 1 2 295.427 1.884 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(C(C)(C)C)on1 ZINC000571765917 329918646 /nfs/dbraw/zinc/91/86/46/329918646.db2.gz LSLHJCXRAPOVFQ-AWEZNQCLSA-N 1 2 278.356 1.546 20 30 CDEDLO N#CC1(CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CCC1 ZINC000571746259 329919376 /nfs/dbraw/zinc/91/93/76/329919376.db2.gz JPYYVKMPNIPGHD-ZDUSSCGKSA-N 1 2 287.367 1.751 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cnc3c(C)cccn23)nn1 ZINC000424174658 330314472 /nfs/dbraw/zinc/31/44/72/330314472.db2.gz RYYVWEPZNPBDCN-UHFFFAOYSA-N 1 2 282.351 1.710 20 30 CDEDLO C=CCn1cc(CNCc2c[nH+]c3c(C)cccn23)nn1 ZINC000424174658 330314473 /nfs/dbraw/zinc/31/44/73/330314473.db2.gz RYYVWEPZNPBDCN-UHFFFAOYSA-N 1 2 282.351 1.710 20 30 CDEDLO C=CCC1(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CCCC1 ZINC000449627434 330940891 /nfs/dbraw/zinc/94/08/91/330940891.db2.gz GKJPRJRMUDDTIN-AWEZNQCLSA-N 1 2 280.412 1.960 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)OCC ZINC000456196895 331186362 /nfs/dbraw/zinc/18/63/62/331186362.db2.gz DCTLMAIDOAWZEC-ZNMIVQPWSA-N 1 2 296.411 1.337 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)OCC ZINC000456196895 331186363 /nfs/dbraw/zinc/18/63/63/331186363.db2.gz DCTLMAIDOAWZEC-ZNMIVQPWSA-N 1 2 296.411 1.337 20 30 CDEDLO CC(C)(CC#N)CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000457446708 331223232 /nfs/dbraw/zinc/22/32/32/331223232.db2.gz VUZGFWHFVSCONB-UHFFFAOYSA-N 1 2 296.415 1.336 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N(C)Cc1ccco1 ZINC000490692482 332105106 /nfs/dbraw/zinc/10/51/06/332105106.db2.gz ZLTQEORYNCUBKY-UHFFFAOYSA-N 1 2 258.321 1.197 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N(C)Cc1ccco1 ZINC000490692482 332105108 /nfs/dbraw/zinc/10/51/08/332105108.db2.gz ZLTQEORYNCUBKY-UHFFFAOYSA-N 1 2 258.321 1.197 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000490740284 332110814 /nfs/dbraw/zinc/11/08/14/332110814.db2.gz NSUWSKGSMBMJGV-SNVBAGLBSA-N 1 2 255.321 1.975 20 30 CDEDLO C#C[C@H](NC(=O)NCc1ccc[nH+]c1N(C)C)C(C)C ZINC000490975544 332135100 /nfs/dbraw/zinc/13/51/00/332135100.db2.gz UVDGEXAEIWOGPH-ZDUSSCGKSA-N 1 2 274.368 1.605 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cnn(CC(F)F)c1 ZINC000491126820 332154365 /nfs/dbraw/zinc/15/43/65/332154365.db2.gz SNQUSHHXWACAEX-UHFFFAOYSA-N 1 2 251.280 1.607 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cnn(CC(F)F)c1 ZINC000491126820 332154366 /nfs/dbraw/zinc/15/43/66/332154366.db2.gz SNQUSHHXWACAEX-UHFFFAOYSA-N 1 2 251.280 1.607 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000491209733 332166488 /nfs/dbraw/zinc/16/64/88/332166488.db2.gz KZRFDQWBYKDBJA-UHFFFAOYSA-N 1 2 296.779 1.056 20 30 CDEDLO C#C[C@H](CCC)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000491220556 332168573 /nfs/dbraw/zinc/16/85/73/332168573.db2.gz OMTCEKHRTNRWLN-RBSFLKMASA-N 1 2 293.411 1.293 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N[C@@H](C)Cc1ccccc1C ZINC000491495650 332222672 /nfs/dbraw/zinc/22/26/72/332222672.db2.gz KQGHRZXTZVHVDN-AWEZNQCLSA-N 1 2 258.365 1.607 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N[C@@H](C)Cc1ccccc1C ZINC000491495650 332222673 /nfs/dbraw/zinc/22/26/73/332222673.db2.gz KQGHRZXTZVHVDN-AWEZNQCLSA-N 1 2 258.365 1.607 20 30 CDEDLO C#C[C@H](CCC)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000491524530 332229679 /nfs/dbraw/zinc/22/96/79/332229679.db2.gz MLZAVRDHFWILJA-GFCCVEGCSA-N 1 2 272.339 1.882 20 30 CDEDLO C#C[C@@H](CC)NC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000491668706 332276376 /nfs/dbraw/zinc/27/63/76/332276376.db2.gz KCPKTMUPJDWJOS-LBPRGKRZSA-N 1 2 270.336 1.854 20 30 CDEDLO C#CCNC(=O)[C@H](C)O[NH+]=C(N)Cc1cccc(F)c1 ZINC000491734555 332315243 /nfs/dbraw/zinc/31/52/43/332315243.db2.gz LIGISCWDUYWZTM-JTQLQIEISA-N 1 2 277.299 1.005 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCCC(=O)c1ccccc1 ZINC000491748931 332325825 /nfs/dbraw/zinc/32/58/25/332325825.db2.gz FIFGZIHHWGSPFJ-HNNXBMFYSA-N 1 2 257.333 1.984 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCCC(=O)c1ccccc1 ZINC000491748931 332325827 /nfs/dbraw/zinc/32/58/27/332325827.db2.gz FIFGZIHHWGSPFJ-HNNXBMFYSA-N 1 2 257.333 1.984 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)NCC(=O)c1cccs1 ZINC000491801210 332355537 /nfs/dbraw/zinc/35/55/37/332355537.db2.gz BVOVHFZWBSWBAN-SNVBAGLBSA-N 1 2 264.350 1.001 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)NCC(=O)c1cccs1 ZINC000491801210 332355538 /nfs/dbraw/zinc/35/55/38/332355538.db2.gz BVOVHFZWBSWBAN-SNVBAGLBSA-N 1 2 264.350 1.001 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)CN(c2ccccc2)C1=O ZINC000491808897 332361747 /nfs/dbraw/zinc/36/17/47/332361747.db2.gz WQUYLINCEFTWAQ-LBPRGKRZSA-N 1 2 271.320 1.366 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)CN(c2ccccc2)C1=O ZINC000491808897 332361749 /nfs/dbraw/zinc/36/17/49/332361749.db2.gz WQUYLINCEFTWAQ-LBPRGKRZSA-N 1 2 271.320 1.366 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\SCc1ccco1 ZINC000493654265 332448781 /nfs/dbraw/zinc/44/87/81/332448781.db2.gz NVBWNDRLRHDNGG-QPBFKRLHSA-N 1 2 293.392 1.987 20 30 CDEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(CCCC#N)n2)C1 ZINC000232669806 333340254 /nfs/dbraw/zinc/34/02/54/333340254.db2.gz SZWFTBGDONUTFY-LLVKDONJSA-N 1 2 264.329 1.698 20 30 CDEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(CCCC#N)n2)C1 ZINC000232669806 333340255 /nfs/dbraw/zinc/34/02/55/333340255.db2.gz SZWFTBGDONUTFY-LLVKDONJSA-N 1 2 264.329 1.698 20 30 CDEDLO Cc1cccn2cc(CC(=O)N(C)C[C@H](C)C#N)[nH+]c12 ZINC000524202793 333356327 /nfs/dbraw/zinc/35/63/27/333356327.db2.gz JPSJCODVIZHXMG-LLVKDONJSA-N 1 2 270.336 1.803 20 30 CDEDLO N#CCc1cccc(C(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000524397711 333361424 /nfs/dbraw/zinc/36/14/24/333361424.db2.gz VHPOSBDIRWOVSY-UHFFFAOYSA-N 1 2 266.304 1.646 20 30 CDEDLO CN(C(=O)C[NH+]1CCC(CC#N)CC1)c1nccs1 ZINC000542883119 333847818 /nfs/dbraw/zinc/84/78/18/333847818.db2.gz JHIWDIGKQAZXCY-UHFFFAOYSA-N 1 2 278.381 1.732 20 30 CDEDLO C=CCOCC[NH2+][C@@H](C(=O)OC)C1CCCCC1 ZINC000549930185 334209494 /nfs/dbraw/zinc/20/94/94/334209494.db2.gz OCGXTCXLCLQNIC-CYBMUJFWSA-N 1 2 255.358 1.901 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000251663100 334366367 /nfs/dbraw/zinc/36/63/67/334366367.db2.gz IDNMYHUJVLLGKB-ILXRZTDVSA-N 1 2 296.411 1.311 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000251663100 334366369 /nfs/dbraw/zinc/36/63/69/334366369.db2.gz IDNMYHUJVLLGKB-ILXRZTDVSA-N 1 2 296.411 1.311 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000576577362 335220877 /nfs/dbraw/zinc/22/08/77/335220877.db2.gz VAARVNDXFCOKKZ-CYBMUJFWSA-N 1 2 291.376 1.493 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2CCO[C@H](C)C2)C1 ZINC001754585028 1159300890 /nfs/dbraw/zinc/30/08/90/1159300890.db2.gz LXABWFLYHIUVIS-ZIAGYGMSSA-N 1 2 296.411 1.147 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c(o1)CCCC2 ZINC001038329297 1159541607 /nfs/dbraw/zinc/54/16/07/1159541607.db2.gz BTAZSPKUWSIJLV-AWEZNQCLSA-N 1 2 286.375 1.986 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2c(o1)CCCC2 ZINC001038329297 1159541610 /nfs/dbraw/zinc/54/16/10/1159541610.db2.gz BTAZSPKUWSIJLV-AWEZNQCLSA-N 1 2 286.375 1.986 20 30 CDEDLO Cc1nc(N(C)CCN(C)C(=O)C#CC(C)C)cc[nH+]1 ZINC001105386147 1160179784 /nfs/dbraw/zinc/17/97/84/1160179784.db2.gz AFIGBGJQSXILMV-UHFFFAOYSA-N 1 2 274.368 1.339 20 30 CDEDLO COCC#CC[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000677820490 482302118 /nfs/dbraw/zinc/30/21/18/482302118.db2.gz PFVYGVLLJPQJAC-MRXNPFEDSA-N 1 2 259.349 1.884 20 30 CDEDLO COCC#CC[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000677820490 482302125 /nfs/dbraw/zinc/30/21/25/482302125.db2.gz PFVYGVLLJPQJAC-MRXNPFEDSA-N 1 2 259.349 1.884 20 30 CDEDLO COCC#CC[NH+]1CCN(C(=O)CCC2CCCC2)CC1 ZINC000677477364 482680487 /nfs/dbraw/zinc/68/04/87/482680487.db2.gz DRCCECLVVOMJRE-UHFFFAOYSA-N 1 2 292.423 1.751 20 30 CDEDLO CCC[C@@H]1C[N@H+](CC#CCOC)CCN1CC#CCOC ZINC000677479882 482682216 /nfs/dbraw/zinc/68/22/16/482682216.db2.gz UDPULHIKNDNLAF-QGZVFWFLSA-N 1 2 292.423 1.072 20 30 CDEDLO CCC[C@@H]1C[N@@H+](CC#CCOC)CCN1CC#CCOC ZINC000677479882 482682223 /nfs/dbraw/zinc/68/22/23/482682223.db2.gz UDPULHIKNDNLAF-QGZVFWFLSA-N 1 2 292.423 1.072 20 30 CDEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000677479840 482682757 /nfs/dbraw/zinc/68/27/57/482682757.db2.gz SLNAJFYYCHZERO-CQSZACIVSA-N 1 2 286.375 1.952 20 30 CDEDLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000361642718 482754608 /nfs/dbraw/zinc/75/46/08/482754608.db2.gz KEBDQFCJVLVCFE-VIFPVBQESA-N 1 2 250.273 1.691 20 30 CDEDLO C=CCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000682548190 482789534 /nfs/dbraw/zinc/78/95/34/482789534.db2.gz LUMTZRVAEMRBLH-UHFFFAOYSA-N 1 2 257.297 1.310 20 30 CDEDLO COCC#CC[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000678975304 483238957 /nfs/dbraw/zinc/23/89/57/483238957.db2.gz UEYITVBOLLWNCP-MRXNPFEDSA-N 1 2 259.349 1.580 20 30 CDEDLO COCC#CC[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000678975304 483238962 /nfs/dbraw/zinc/23/89/62/483238962.db2.gz UEYITVBOLLWNCP-MRXNPFEDSA-N 1 2 259.349 1.580 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001015339959 1161125998 /nfs/dbraw/zinc/12/59/98/1161125998.db2.gz IUIRTEBIRTXLQM-XQQFMLRXSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001015339959 1161125999 /nfs/dbraw/zinc/12/59/99/1161125999.db2.gz IUIRTEBIRTXLQM-XQQFMLRXSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2n[nH]nc2C)C1 ZINC001033913586 1161508125 /nfs/dbraw/zinc/50/81/25/1161508125.db2.gz UVDZKZUDXUBQMI-NSHDSACASA-N 1 2 297.790 1.402 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2n[nH]nc2C)C1 ZINC001033913586 1161508133 /nfs/dbraw/zinc/50/81/33/1161508133.db2.gz UVDZKZUDXUBQMI-NSHDSACASA-N 1 2 297.790 1.402 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC23CC3)C1 ZINC001035414594 1161522520 /nfs/dbraw/zinc/52/25/20/1161522520.db2.gz BDKBJKCYQPQUCO-LSDHHAIUSA-N 1 2 292.423 1.960 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC23CC3)C1 ZINC001035414594 1161522525 /nfs/dbraw/zinc/52/25/25/1161522525.db2.gz BDKBJKCYQPQUCO-LSDHHAIUSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ncc(C)cc2C)C1 ZINC001035453672 1161523574 /nfs/dbraw/zinc/52/35/74/1161523574.db2.gz COSLCCCVENASSE-CQSZACIVSA-N 1 2 289.379 1.315 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ncc(C)cc2C)C1 ZINC001035453672 1161523578 /nfs/dbraw/zinc/52/35/78/1161523578.db2.gz COSLCCCVENASSE-CQSZACIVSA-N 1 2 289.379 1.315 20 30 CDEDLO C[C@@H]1C[C@H](O)CN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000329982140 533985004 /nfs/dbraw/zinc/98/50/04/533985004.db2.gz OOJFCUJVKVHNFU-PWSUYJOCSA-N 1 2 274.324 1.203 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C#N)C1 ZINC001753434935 1185203945 /nfs/dbraw/zinc/20/39/45/1185203945.db2.gz ZJEUVFFRJLGVDS-ONGXEEELSA-N 1 2 255.749 1.431 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C#N)C1 ZINC001753434935 1185203950 /nfs/dbraw/zinc/20/39/50/1185203950.db2.gz ZJEUVFFRJLGVDS-ONGXEEELSA-N 1 2 255.749 1.431 20 30 CDEDLO Cc1nc(N[C@@H](C)[C@H](C)NC(=O)C#CC(C)C)cc[nH+]1 ZINC001113028858 1162076334 /nfs/dbraw/zinc/07/63/34/1162076334.db2.gz KXATWSCTRTUGFC-RYUDHWBXSA-N 1 2 274.368 1.750 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](CCC)OCC)CC1 ZINC001113221593 1162131825 /nfs/dbraw/zinc/13/18/25/1162131825.db2.gz XBVFDMAUIDRFRG-ZDUSSCGKSA-N 1 2 254.374 1.522 20 30 CDEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC001113229098 1162132980 /nfs/dbraw/zinc/13/29/80/1162132980.db2.gz CTFHZSTXUWGWNW-CABCVRRESA-N 1 2 298.427 1.252 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2cc(F)cc(C#N)c2)C1 ZINC000311014977 1186680074 /nfs/dbraw/zinc/68/00/74/1186680074.db2.gz BASABLCUDCHHEY-CYBMUJFWSA-N 1 2 250.273 1.407 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2cc(F)cc(C#N)c2)C1 ZINC000311014977 1186680081 /nfs/dbraw/zinc/68/00/81/1186680081.db2.gz BASABLCUDCHHEY-CYBMUJFWSA-N 1 2 250.273 1.407 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@H](C(=O)NC)C2)c1 ZINC000182435164 519053703 /nfs/dbraw/zinc/05/37/03/519053703.db2.gz CVEBIXDGYYWQOM-HNNXBMFYSA-N 1 2 290.363 1.198 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2CCO[C@H](C(=O)NC)C2)c1 ZINC000182435164 519053714 /nfs/dbraw/zinc/05/37/14/519053714.db2.gz CVEBIXDGYYWQOM-HNNXBMFYSA-N 1 2 290.363 1.198 20 30 CDEDLO N#CC1(F)CC[NH+](Cc2cc(C(N)=O)cs2)CC1 ZINC000348714412 534568152 /nfs/dbraw/zinc/56/81/52/534568152.db2.gz YQMYGMBPRLQXKZ-UHFFFAOYSA-N 1 2 267.329 1.675 20 30 CDEDLO COC(=O)c1c[nH+]c(NCCCCC#N)cc1OC ZINC001157637916 1162250479 /nfs/dbraw/zinc/25/04/79/1162250479.db2.gz KAZHAVUKLLLQMN-UHFFFAOYSA-N 1 2 263.297 1.983 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCCOC(C)C)CC1 ZINC001113730126 1162267817 /nfs/dbraw/zinc/26/78/17/1162267817.db2.gz OHUFIKVPVYBEJM-UHFFFAOYSA-N 1 2 254.374 1.522 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)OC[C@H]1CC ZINC000268528235 534822750 /nfs/dbraw/zinc/82/27/50/534822750.db2.gz DAFBNRMXNYKLHE-ZIAGYGMSSA-N 1 2 266.385 1.686 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)OC[C@H]1CC ZINC000268528235 534822759 /nfs/dbraw/zinc/82/27/59/534822759.db2.gz DAFBNRMXNYKLHE-ZIAGYGMSSA-N 1 2 266.385 1.686 20 30 CDEDLO CC#CCCCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000354876127 526297333 /nfs/dbraw/zinc/29/73/33/526297333.db2.gz BMWGAYBWNIGBDA-AWEZNQCLSA-N 1 2 294.395 1.181 20 30 CDEDLO CC#CCCCC(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000354876127 526297337 /nfs/dbraw/zinc/29/73/37/526297337.db2.gz BMWGAYBWNIGBDA-AWEZNQCLSA-N 1 2 294.395 1.181 20 30 CDEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nc(=O)n(C)[nH]1 ZINC000353499296 526313774 /nfs/dbraw/zinc/31/37/74/526313774.db2.gz IXWJPNRGCXPTNL-UHFFFAOYSA-N 1 2 272.352 1.339 20 30 CDEDLO C=CC[N@H+](CCc1ccccc1)Cc1nc(=O)n(C)[nH]1 ZINC000353499296 526313782 /nfs/dbraw/zinc/31/37/82/526313782.db2.gz IXWJPNRGCXPTNL-UHFFFAOYSA-N 1 2 272.352 1.339 20 30 CDEDLO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1nsc(N(C)C)n1 ZINC000330256823 526406406 /nfs/dbraw/zinc/40/64/06/526406406.db2.gz QHYAYCYYVKSRCO-RKDXNWHRSA-N 1 2 283.401 1.449 20 30 CDEDLO C=C(C)CN(C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000352541619 526488712 /nfs/dbraw/zinc/48/87/12/526488712.db2.gz ZYPLSYOZEGKEBE-UHFFFAOYSA-N 1 2 262.357 1.865 20 30 CDEDLO C=C(C)C[N@@H+](CC(=O)NCCC)Cc1ccc(CO)o1 ZINC000352819739 526510636 /nfs/dbraw/zinc/51/06/36/526510636.db2.gz XIVIGAWEQRLSSB-UHFFFAOYSA-N 1 2 280.368 1.676 20 30 CDEDLO C=C(C)C[N@H+](CC(=O)NCCC)Cc1ccc(CO)o1 ZINC000352819739 526510638 /nfs/dbraw/zinc/51/06/38/526510638.db2.gz XIVIGAWEQRLSSB-UHFFFAOYSA-N 1 2 280.368 1.676 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368972353 526558968 /nfs/dbraw/zinc/55/89/68/526558968.db2.gz FBABNYJXQRSSOJ-TUKIKUTGSA-N 1 2 287.338 1.783 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368972353 526558976 /nfs/dbraw/zinc/55/89/76/526558976.db2.gz FBABNYJXQRSSOJ-TUKIKUTGSA-N 1 2 287.338 1.783 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000336428385 526679217 /nfs/dbraw/zinc/67/92/17/526679217.db2.gz ZSESOGWUASQJOT-NSHDSACASA-N 1 2 269.370 1.115 20 30 CDEDLO CC(C)(C#N)CNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000355877745 527472775 /nfs/dbraw/zinc/47/27/75/527472775.db2.gz HNPQAAYMALMRST-UHFFFAOYSA-N 1 2 273.327 1.629 20 30 CDEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1nc(C)no1 ZINC000348097673 527615751 /nfs/dbraw/zinc/61/57/51/527615751.db2.gz QQHGBXNIJDYHNB-SNVBAGLBSA-N 1 2 264.329 1.229 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000347390261 527931755 /nfs/dbraw/zinc/93/17/55/527931755.db2.gz SFHUFCRGTAOKQS-STQMWFEESA-N 1 2 255.337 1.475 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@](C)(F)C1 ZINC000347390261 527931760 /nfs/dbraw/zinc/93/17/60/527931760.db2.gz SFHUFCRGTAOKQS-STQMWFEESA-N 1 2 255.337 1.475 20 30 CDEDLO CCC1(CNC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330178431 529033195 /nfs/dbraw/zinc/03/31/95/529033195.db2.gz DQZWRMCFQFJPGX-NSHDSACASA-N 1 2 262.357 1.892 20 30 CDEDLO CCC1(C[NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330178431 529033200 /nfs/dbraw/zinc/03/32/00/529033200.db2.gz DQZWRMCFQFJPGX-NSHDSACASA-N 1 2 262.357 1.892 20 30 CDEDLO CCOC(=O)[C@H](C)[N@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191543650 535623042 /nfs/dbraw/zinc/62/30/42/535623042.db2.gz BCYSHPKFCWTFJS-NSHDSACASA-N 1 2 275.352 1.813 20 30 CDEDLO CCOC(=O)[C@H](C)[N@@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191543650 535623049 /nfs/dbraw/zinc/62/30/49/535623049.db2.gz BCYSHPKFCWTFJS-NSHDSACASA-N 1 2 275.352 1.813 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1c(C)noc1C ZINC000730098941 574849490 /nfs/dbraw/zinc/84/94/90/574849490.db2.gz SUYISILDJZAYNW-ZDUSSCGKSA-N 1 2 261.325 1.005 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1c(C)noc1C ZINC000730098941 574849491 /nfs/dbraw/zinc/84/94/91/574849491.db2.gz SUYISILDJZAYNW-ZDUSSCGKSA-N 1 2 261.325 1.005 20 30 CDEDLO C[S@@](=O)CCN1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000769753536 575380541 /nfs/dbraw/zinc/38/05/41/575380541.db2.gz SXRAFKFOXUZEQH-HXUWFJFHSA-N 1 2 299.484 1.703 20 30 CDEDLO C[S@@](=O)CC[NH+]1CCN(CCCCC(C)(C)C#N)CC1 ZINC000769753536 575380544 /nfs/dbraw/zinc/38/05/44/575380544.db2.gz SXRAFKFOXUZEQH-HXUWFJFHSA-N 1 2 299.484 1.703 20 30 CDEDLO C[C@@H](C#N)CNN=Cc1ccc(C=[NH+]NC[C@@H](C)C#N)cc1 ZINC000771106430 575549797 /nfs/dbraw/zinc/54/97/97/575549797.db2.gz DJVOMBARGNTIQN-KBPBESRZSA-N 1 2 296.378 1.853 20 30 CDEDLO C#C[C@H](Nc1cc(-n2cc[nH+]c2)ncn1)[C@@H]1CCCO1 ZINC000772255809 575677199 /nfs/dbraw/zinc/67/71/99/575677199.db2.gz LEVLWPSLOGZTDA-RYUDHWBXSA-N 1 2 269.308 1.255 20 30 CDEDLO C#C[C@H](Nc1nc(N(C)C)nc(C(C)C)[nH+]1)[C@H]1CCCO1 ZINC000772260804 575678181 /nfs/dbraw/zinc/67/81/81/575678181.db2.gz ZEVSDPNCFKIGMT-NWDGAFQWSA-N 1 2 289.383 1.654 20 30 CDEDLO C#C[C@H](Nc1nc(C(C)C)[nH+]c(N(C)C)n1)[C@H]1CCCO1 ZINC000772260804 575678183 /nfs/dbraw/zinc/67/81/83/575678183.db2.gz ZEVSDPNCFKIGMT-NWDGAFQWSA-N 1 2 289.383 1.654 20 30 CDEDLO C#C[C@@H](Nc1nc(N(C)C)nc(C(C)C)[nH+]1)[C@@H]1CCCO1 ZINC000772260788 575678256 /nfs/dbraw/zinc/67/82/56/575678256.db2.gz ZEVSDPNCFKIGMT-NEPJUHHUSA-N 1 2 289.383 1.654 20 30 CDEDLO C#C[C@@H](Nc1nc(C(C)C)[nH+]c(N(C)C)n1)[C@@H]1CCCO1 ZINC000772260788 575678259 /nfs/dbraw/zinc/67/82/59/575678259.db2.gz ZEVSDPNCFKIGMT-NEPJUHHUSA-N 1 2 289.383 1.654 20 30 CDEDLO C#C[C@H](NC(=O)c1ccc2[nH+]ccn2c1)[C@H]1CCCO1 ZINC000772884187 575763099 /nfs/dbraw/zinc/76/30/99/575763099.db2.gz JXFAGAAMOWFKLN-QWHCGFSZSA-N 1 2 269.304 1.245 20 30 CDEDLO C#Cc1ccc(C(=O)N(C)CCCn2cc[nH+]c2)nc1 ZINC000768322853 576271667 /nfs/dbraw/zinc/27/16/67/576271667.db2.gz FJXJHZMQJLSKNI-UHFFFAOYSA-N 1 2 268.320 1.422 20 30 CDEDLO C[S@](=O)CC[NH+]1CCN(CC(C)(C)CCC#N)CC1 ZINC000769481190 576357832 /nfs/dbraw/zinc/35/78/32/576357832.db2.gz SEEAZHJXMKKOHI-IBGZPJMESA-N 1 2 285.457 1.312 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCC2(C)COC2)ccc1F ZINC000742354415 576596523 /nfs/dbraw/zinc/59/65/23/576596523.db2.gz MIFLTWMMBOLUGU-UHFFFAOYSA-N 1 2 252.289 1.808 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2nnnn2C2CC2)cc1 ZINC000742387510 576599520 /nfs/dbraw/zinc/59/95/20/576599520.db2.gz CHRMLYDUVQIDOS-LLVKDONJSA-N 1 2 298.350 1.589 20 30 CDEDLO COCC#CC[N@@H+]1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000762926287 576693914 /nfs/dbraw/zinc/69/39/14/576693914.db2.gz PHZBDAKXXOBTGF-MRXNPFEDSA-N 1 2 287.359 1.844 20 30 CDEDLO COCC#CC[N@H+]1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000762926287 576693916 /nfs/dbraw/zinc/69/39/16/576693916.db2.gz PHZBDAKXXOBTGF-MRXNPFEDSA-N 1 2 287.359 1.844 20 30 CDEDLO N#Cc1ccc(O)c(NC(=O)CCn2cc[nH+]c2)c1 ZINC000748412287 576911564 /nfs/dbraw/zinc/91/15/64/576911564.db2.gz PIJBEHUJWYONCA-UHFFFAOYSA-N 1 2 256.265 1.489 20 30 CDEDLO COc1ccc(N[NH+]=Cc2c(N)ncnc2OC)cc1 ZINC000750921396 577016188 /nfs/dbraw/zinc/01/61/88/577016188.db2.gz IQGQTYRVOVMEHU-UHFFFAOYSA-N 1 2 273.296 1.522 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000752075491 577086311 /nfs/dbraw/zinc/08/63/11/577086311.db2.gz MQIYVWVWCANTAW-JKSUJKDBSA-N 1 2 281.359 1.508 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000752075491 577086314 /nfs/dbraw/zinc/08/63/14/577086314.db2.gz MQIYVWVWCANTAW-JKSUJKDBSA-N 1 2 281.359 1.508 20 30 CDEDLO O=S1CCC(=[NH+]n2cc(Br)cn2)CC1 ZINC000752747689 577123310 /nfs/dbraw/zinc/12/33/10/577123310.db2.gz RZBVIPOKENDBAS-UHFFFAOYSA-N 1 2 276.159 1.392 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cccnc2)C1 ZINC000949579600 612992370 /nfs/dbraw/zinc/99/23/70/612992370.db2.gz DYDRTQZAEOZFKY-UHFFFAOYSA-N 1 2 257.337 1.251 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2oc(CC)nc2C)C1 ZINC000957098181 612993381 /nfs/dbraw/zinc/99/33/81/612993381.db2.gz CTAXYJOKPYMVHL-UHFFFAOYSA-N 1 2 289.379 1.715 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC3CCC3)C2)C1 ZINC000972317103 613212466 /nfs/dbraw/zinc/21/24/66/613212466.db2.gz QQFSGJDECZLUJJ-MRXNPFEDSA-N 1 2 276.380 1.113 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CC3CCC3)C2)C1 ZINC000972317103 613212467 /nfs/dbraw/zinc/21/24/67/613212467.db2.gz QQFSGJDECZLUJJ-MRXNPFEDSA-N 1 2 276.380 1.113 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cccc3nc[nH]c32)C[C@H]1C ZINC000947840365 613270829 /nfs/dbraw/zinc/27/08/29/613270829.db2.gz DKUZLBTWOTZQCL-OLZOCXBDSA-N 1 2 296.374 1.779 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cccc3nc[nH]c32)C[C@H]1C ZINC000947840365 613270831 /nfs/dbraw/zinc/27/08/31/613270831.db2.gz DKUZLBTWOTZQCL-OLZOCXBDSA-N 1 2 296.374 1.779 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@]2(C)CCO[C@H]2C)CC1 ZINC000949447432 613319505 /nfs/dbraw/zinc/31/95/05/613319505.db2.gz KWYUMKGKQNOXNN-DZGCQCFKSA-N 1 2 266.385 1.522 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(CCC)on2)CC1 ZINC000956991559 613320138 /nfs/dbraw/zinc/32/01/38/613320138.db2.gz SPRLEGIVWZLXEN-UHFFFAOYSA-N 1 2 277.368 1.961 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cccnc2OCC)CC1 ZINC000957517687 613321223 /nfs/dbraw/zinc/32/12/23/613321223.db2.gz HONJCEDRVFQVBA-UHFFFAOYSA-N 1 2 289.379 1.814 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2coc(CCC)n2)CC1 ZINC000957314540 613321777 /nfs/dbraw/zinc/32/17/77/613321777.db2.gz IDLOPLCUJMUHAY-UHFFFAOYSA-N 1 2 277.368 1.961 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2nocc2C)C1 ZINC000970703205 613371893 /nfs/dbraw/zinc/37/18/93/613371893.db2.gz QKYPHIIKSGWWOX-SNVBAGLBSA-N 1 2 283.759 1.786 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnc(C)n2C)C1 ZINC000970328406 613372418 /nfs/dbraw/zinc/37/24/18/613372418.db2.gz KHIDVCPYAGGTQN-JTQLQIEISA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cn(CC)cn2)C1 ZINC000970747686 613372436 /nfs/dbraw/zinc/37/24/36/613372436.db2.gz CGRSUADPIXKIRZ-NSHDSACASA-N 1 2 296.802 1.706 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC000980656971 613373935 /nfs/dbraw/zinc/37/39/35/613373935.db2.gz OCHUYJUNBBQQIA-JQWIXIFHSA-N 1 2 256.777 1.929 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC000980656971 613373936 /nfs/dbraw/zinc/37/39/36/613373936.db2.gz OCHUYJUNBBQQIA-JQWIXIFHSA-N 1 2 256.777 1.929 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC000965958819 613377896 /nfs/dbraw/zinc/37/78/96/613377896.db2.gz PDLUBIVWHUOQAO-ONGXEEELSA-N 1 2 297.790 1.008 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC000965958819 613377897 /nfs/dbraw/zinc/37/78/97/613377897.db2.gz PDLUBIVWHUOQAO-ONGXEEELSA-N 1 2 297.790 1.008 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2=CCOCC2)C(C)(C)C1 ZINC000974499687 613379769 /nfs/dbraw/zinc/37/97/69/613379769.db2.gz IZWDMWHUJCCQQR-CYBMUJFWSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2=CCOCC2)C(C)(C)C1 ZINC000974499687 613379770 /nfs/dbraw/zinc/37/97/70/613379770.db2.gz IZWDMWHUJCCQQR-CYBMUJFWSA-N 1 2 298.814 1.912 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H](C)c2cnn(C)c2)CC1 ZINC000949464855 613563389 /nfs/dbraw/zinc/56/33/89/613563389.db2.gz KFCJPHXUTNEEPR-AWEZNQCLSA-N 1 2 288.395 1.081 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC000948664737 613710708 /nfs/dbraw/zinc/71/07/08/613710708.db2.gz HPNCUZUVJAOHLS-LLVKDONJSA-N 1 2 258.312 1.752 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCC[C@H]2OC)CC1 ZINC000957861029 613711272 /nfs/dbraw/zinc/71/12/72/613711272.db2.gz IBUXTBKCNHAZHK-ZIAGYGMSSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN2c2ccccc2)CC1 ZINC000948686877 613712750 /nfs/dbraw/zinc/71/27/50/613712750.db2.gz XAEIETSQSVRRSV-QGZVFWFLSA-N 1 2 299.418 1.986 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(F)ccc2OC)CC1 ZINC000949560107 613715243 /nfs/dbraw/zinc/71/52/43/613715243.db2.gz DNZLGUJAELDGSF-UHFFFAOYSA-N 1 2 278.327 1.778 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc3nccnc32)CC1 ZINC000952386470 613717001 /nfs/dbraw/zinc/71/70/01/613717001.db2.gz GCYPCRIQEAOUMY-UHFFFAOYSA-N 1 2 282.347 1.574 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnn(CC)c2C2CC2)CC1 ZINC000957112646 613718567 /nfs/dbraw/zinc/71/85/67/613718567.db2.gz HWFUMOCJEZXFKZ-UHFFFAOYSA-N 1 2 288.395 1.724 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnn3c2ccc(C)c3C)CC1 ZINC000948854419 613718796 /nfs/dbraw/zinc/71/87/96/613718796.db2.gz NEYXBOWGBGYSOL-UHFFFAOYSA-N 1 2 298.390 1.895 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ncc3n2CCCC3)CC1 ZINC000957706810 613719170 /nfs/dbraw/zinc/71/91/70/613719170.db2.gz HAKFKMHIFQWYJL-UHFFFAOYSA-N 1 2 274.368 1.163 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CC(C)C3)C2)C1 ZINC000972334106 613722302 /nfs/dbraw/zinc/72/23/02/613722302.db2.gz UWFGKRSVSLANMU-XUJLQICISA-N 1 2 278.396 1.522 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CC(C)C3)C2)C1 ZINC000972334106 613722303 /nfs/dbraw/zinc/72/23/03/613722303.db2.gz UWFGKRSVSLANMU-XUJLQICISA-N 1 2 278.396 1.522 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3C)C2)C1 ZINC000972501918 613726480 /nfs/dbraw/zinc/72/64/80/613726480.db2.gz JEWVZGHGUJQGSO-UMVBOHGHSA-N 1 2 264.369 1.132 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3C)C2)C1 ZINC000972501918 613726482 /nfs/dbraw/zinc/72/64/82/613726482.db2.gz JEWVZGHGUJQGSO-UMVBOHGHSA-N 1 2 264.369 1.132 20 30 CDEDLO C=C1CCN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000892596246 617526308 /nfs/dbraw/zinc/52/63/08/617526308.db2.gz OEPAQAOUGZYJCQ-ZDUSSCGKSA-N 1 2 267.373 1.069 20 30 CDEDLO C=C1CCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000892596246 617526313 /nfs/dbraw/zinc/52/63/13/617526313.db2.gz OEPAQAOUGZYJCQ-ZDUSSCGKSA-N 1 2 267.373 1.069 20 30 CDEDLO COCC(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000980583166 616560604 /nfs/dbraw/zinc/56/06/04/616560604.db2.gz CQVUIPAWZIUCLD-UHFFFAOYSA-N 1 2 286.375 1.219 20 30 CDEDLO COCC(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000980583166 616560605 /nfs/dbraw/zinc/56/06/05/616560605.db2.gz CQVUIPAWZIUCLD-UHFFFAOYSA-N 1 2 286.375 1.219 20 30 CDEDLO C=C1CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000892838355 617814952 /nfs/dbraw/zinc/81/49/52/617814952.db2.gz MXYZBAHXPHWDAR-KBPBESRZSA-N 1 2 281.400 1.457 20 30 CDEDLO C#C[C@H]([NH2+]Cc1c(Cl)c(C)nn1C)[C@@H]1CCCO1 ZINC000893676876 617829954 /nfs/dbraw/zinc/82/99/54/617829954.db2.gz PDMZXJFQZFGFES-JQWIXIFHSA-N 1 2 267.760 1.652 20 30 CDEDLO Cc1ncoc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000894093630 618382994 /nfs/dbraw/zinc/38/29/94/618382994.db2.gz GLXPMZJHNIOEIT-NSHDSACASA-N 1 2 298.350 1.355 20 30 CDEDLO Cc1ncoc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000894093630 618382997 /nfs/dbraw/zinc/38/29/97/618382997.db2.gz GLXPMZJHNIOEIT-NSHDSACASA-N 1 2 298.350 1.355 20 30 CDEDLO N#CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)CC1CC1 ZINC000826381567 618592199 /nfs/dbraw/zinc/59/21/99/618592199.db2.gz QHZSQXQXKILJMA-UHFFFAOYSA-N 1 2 272.312 1.585 20 30 CDEDLO N#CCC[N@H+](Cc1ccc(-c2nn[nH]n2)o1)CC1CC1 ZINC000826381567 618592204 /nfs/dbraw/zinc/59/22/04/618592204.db2.gz QHZSQXQXKILJMA-UHFFFAOYSA-N 1 2 272.312 1.585 20 30 CDEDLO COC(=O)c1[nH]c2ccccc2c1C[NH2+]CCC#N ZINC000894579471 618974246 /nfs/dbraw/zinc/97/42/46/618974246.db2.gz MDAXBICEMRDYSK-UHFFFAOYSA-N 1 2 257.293 1.958 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2ccn(-c3ccccc3)n2)CCCN1O ZINC000895161109 619380275 /nfs/dbraw/zinc/38/02/75/619380275.db2.gz DWIZRMNKUHGVCH-CQSZACIVSA-N 1 2 286.335 1.342 20 30 CDEDLO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1ncc(C#N)s1 ZINC000896497161 620118046 /nfs/dbraw/zinc/11/80/46/620118046.db2.gz ZNRNUXOTFDIQSX-JTQLQIEISA-N 1 2 264.354 1.826 20 30 CDEDLO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ncc(C#N)s1 ZINC000896497161 620118047 /nfs/dbraw/zinc/11/80/47/620118047.db2.gz ZNRNUXOTFDIQSX-JTQLQIEISA-N 1 2 264.354 1.826 20 30 CDEDLO C#Cc1cncc(-c2noc([C@H]3C[N@H+](C)CCO3)n2)c1 ZINC000896556778 620146238 /nfs/dbraw/zinc/14/62/38/620146238.db2.gz RDTDXTOAGNNSMU-GFCCVEGCSA-N 1 2 270.292 1.116 20 30 CDEDLO C#Cc1cncc(-c2noc([C@H]3C[N@@H+](C)CCO3)n2)c1 ZINC000896556778 620146242 /nfs/dbraw/zinc/14/62/42/620146242.db2.gz RDTDXTOAGNNSMU-GFCCVEGCSA-N 1 2 270.292 1.116 20 30 CDEDLO CCn1c[nH+]c2c1CCN(c1cc(C#N)ncn1)C2 ZINC000896655416 620184990 /nfs/dbraw/zinc/18/49/90/620184990.db2.gz WZDRDOSAYMMILX-UHFFFAOYSA-N 1 2 254.297 1.127 20 30 CDEDLO C#CCCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000896700588 620198704 /nfs/dbraw/zinc/19/87/04/620198704.db2.gz BKIYTKSBYLNIEJ-CYBMUJFWSA-N 1 2 260.341 1.320 20 30 CDEDLO C#CCCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000896700588 620198705 /nfs/dbraw/zinc/19/87/05/620198705.db2.gz BKIYTKSBYLNIEJ-CYBMUJFWSA-N 1 2 260.341 1.320 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000896698425 620204909 /nfs/dbraw/zinc/20/49/09/620204909.db2.gz NQJHTSZOQIQTKC-KRWDZBQOSA-N 1 2 298.386 1.605 20 30 CDEDLO CC(C)C[C@@H](C#N)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000900508335 623168982 /nfs/dbraw/zinc/16/89/82/623168982.db2.gz AYRHEPGVBKNQIX-FZMZJTMJSA-N 1 2 289.383 1.844 20 30 CDEDLO CC(C)C[C@@H](C#N)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000900508335 623168984 /nfs/dbraw/zinc/16/89/84/623168984.db2.gz AYRHEPGVBKNQIX-FZMZJTMJSA-N 1 2 289.383 1.844 20 30 CDEDLO C#CCSCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000900788519 623485091 /nfs/dbraw/zinc/48/50/91/623485091.db2.gz WVABNFUOXDNWMZ-LLVKDONJSA-N 1 2 251.355 1.002 20 30 CDEDLO C=C(C)C[N@@H+](CC)Cc1cn(-c2ccn(C)n2)nn1 ZINC000906253918 627155802 /nfs/dbraw/zinc/15/58/02/627155802.db2.gz HTXSCSJFTJWUHG-UHFFFAOYSA-N 1 2 260.345 1.399 20 30 CDEDLO C=C(C)C[N@H+](CC)Cc1cn(-c2ccn(C)n2)nn1 ZINC000906253918 627155804 /nfs/dbraw/zinc/15/58/04/627155804.db2.gz HTXSCSJFTJWUHG-UHFFFAOYSA-N 1 2 260.345 1.399 20 30 CDEDLO CC#CC[C@H](CO)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000911605679 629349867 /nfs/dbraw/zinc/34/98/67/629349867.db2.gz IEQPHRBBUPHBQG-CYBMUJFWSA-N 1 2 260.337 1.511 20 30 CDEDLO N#CCc1ccccc1C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913439284 630481552 /nfs/dbraw/zinc/48/15/52/630481552.db2.gz AIZVHIWJVAXXTH-HNNXBMFYSA-N 1 2 295.346 1.262 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913457493 630488400 /nfs/dbraw/zinc/48/84/00/630488400.db2.gz SUHPGXYSUWNXBP-CYBMUJFWSA-N 1 2 276.384 1.495 20 30 CDEDLO COc1ccc(CC(N)=[NH+]OCc2ccon2)cc1OC ZINC000156961767 630577951 /nfs/dbraw/zinc/57/79/51/630577951.db2.gz YRSKRNLCCLWLJT-UHFFFAOYSA-N 1 2 291.307 1.723 20 30 CDEDLO CC#CCCCC(=O)NC[C@@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113824340 1162330309 /nfs/dbraw/zinc/33/03/09/1162330309.db2.gz RCPQRFLKEAWQDK-CYBMUJFWSA-N 1 2 288.395 1.920 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000792872449 1162372359 /nfs/dbraw/zinc/37/23/59/1162372359.db2.gz NXUJUXMFYQOSRZ-UHFFFAOYSA-N 1 2 281.377 1.172 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000792872449 1162372360 /nfs/dbraw/zinc/37/23/60/1162372360.db2.gz NXUJUXMFYQOSRZ-UHFFFAOYSA-N 1 2 281.377 1.172 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nccs3)C[C@H]21 ZINC001114005908 1162400052 /nfs/dbraw/zinc/40/00/52/1162400052.db2.gz VGOFVEXSEAIXLJ-YABSGUDNSA-N 1 2 277.393 1.656 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nccs3)C[C@H]21 ZINC001114005908 1162400054 /nfs/dbraw/zinc/40/00/54/1162400054.db2.gz VGOFVEXSEAIXLJ-YABSGUDNSA-N 1 2 277.393 1.656 20 30 CDEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCC#Cc2ccc(F)cc2)C1 ZINC000805475125 1162573054 /nfs/dbraw/zinc/57/30/54/1162573054.db2.gz XQILFAMXMCDVAZ-OAHLLOKOSA-N 1 2 291.322 1.441 20 30 CDEDLO CC[N@H+]1CCO[C@@H](C(=O)OCC#Cc2ccc(F)cc2)C1 ZINC000805475125 1162573059 /nfs/dbraw/zinc/57/30/59/1162573059.db2.gz XQILFAMXMCDVAZ-OAHLLOKOSA-N 1 2 291.322 1.441 20 30 CDEDLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C)c2cccc(C#N)c2)C1 ZINC000805479685 1162573106 /nfs/dbraw/zinc/57/31/06/1162573106.db2.gz SZOPKRFQDHPLGY-DOMZBBRYSA-N 1 2 288.347 1.883 20 30 CDEDLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C)c2cccc(C#N)c2)C1 ZINC000805479685 1162573111 /nfs/dbraw/zinc/57/31/11/1162573111.db2.gz SZOPKRFQDHPLGY-DOMZBBRYSA-N 1 2 288.347 1.883 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)co2)[C@@H](O)C1 ZINC001090489079 1162682571 /nfs/dbraw/zinc/68/25/71/1162682571.db2.gz HZNBXSUQCRSMRP-RYUDHWBXSA-N 1 2 298.770 1.506 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)co2)[C@@H](O)C1 ZINC001090489079 1162682574 /nfs/dbraw/zinc/68/25/74/1162682574.db2.gz HZNBXSUQCRSMRP-RYUDHWBXSA-N 1 2 298.770 1.506 20 30 CDEDLO C#Cc1cncc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000806773319 1162705016 /nfs/dbraw/zinc/70/50/16/1162705016.db2.gz LUJOAZMPHNYCLS-ZDUSSCGKSA-N 1 2 280.331 1.806 20 30 CDEDLO CC#CC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1OC ZINC001602894139 1175445670 /nfs/dbraw/zinc/44/56/70/1175445670.db2.gz QMYSDDNGXFRRLQ-UHFFFAOYSA-N 1 2 271.324 1.330 20 30 CDEDLO CC#CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1OC ZINC001602894139 1175445674 /nfs/dbraw/zinc/44/56/74/1175445674.db2.gz QMYSDDNGXFRRLQ-UHFFFAOYSA-N 1 2 271.324 1.330 20 30 CDEDLO COCC#CC[N@@H+]1C[C@H](NC(=O)C(C)(F)F)CC[C@H]1C ZINC001131738001 1163023700 /nfs/dbraw/zinc/02/37/00/1163023700.db2.gz CZDOHWCMBFIZJA-VXGBXAGGSA-N 1 2 288.338 1.261 20 30 CDEDLO COCC#CC[N@H+]1C[C@H](NC(=O)C(C)(F)F)CC[C@H]1C ZINC001131738001 1163023705 /nfs/dbraw/zinc/02/37/05/1163023705.db2.gz CZDOHWCMBFIZJA-VXGBXAGGSA-N 1 2 288.338 1.261 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CCc3ccccc3C#N)C[C@@H]21 ZINC001272059741 1160534252 /nfs/dbraw/zinc/53/42/52/1160534252.db2.gz DTRZXFHDBQTINC-HOTGVXAUSA-N 1 2 299.374 1.032 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)CCc3ccccc3C#N)C[C@@H]21 ZINC001272059741 1160534259 /nfs/dbraw/zinc/53/42/59/1160534259.db2.gz DTRZXFHDBQTINC-HOTGVXAUSA-N 1 2 299.374 1.032 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c(C)nn(CCC)c2C)C1 ZINC001031222225 1161160694 /nfs/dbraw/zinc/16/06/94/1161160694.db2.gz MUCCNDSUIGHXPB-UHFFFAOYSA-N 1 2 290.411 1.900 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@H](C)[NH2+]Cc1nncs1 ZINC001752891192 1161422281 /nfs/dbraw/zinc/42/22/81/1161422281.db2.gz GKPMJHFMLNWCBT-VIFPVBQESA-N 1 2 268.386 1.345 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC2(F)F)C1 ZINC001035410828 1161522595 /nfs/dbraw/zinc/52/25/95/1161522595.db2.gz GRFRIHZNXHZLAT-GHMZBOCLSA-N 1 2 274.311 1.035 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC2(F)F)C1 ZINC001035410828 1161522600 /nfs/dbraw/zinc/52/26/00/1161522600.db2.gz GRFRIHZNXHZLAT-GHMZBOCLSA-N 1 2 274.311 1.035 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(CC)[nH]n1 ZINC001085490290 1161942994 /nfs/dbraw/zinc/94/29/94/1161942994.db2.gz UGVMWVMVADFLBK-ZDUSSCGKSA-N 1 2 276.384 1.695 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(CC)[nH]n1 ZINC001085490290 1161942996 /nfs/dbraw/zinc/94/29/96/1161942996.db2.gz UGVMWVMVADFLBK-ZDUSSCGKSA-N 1 2 276.384 1.695 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001113241777 1162136295 /nfs/dbraw/zinc/13/62/95/1162136295.db2.gz PEMCDZARCKHNQM-AWEZNQCLSA-N 1 2 290.411 1.667 20 30 CDEDLO COCCOc1ccccc1C=NNc1[nH+]ccn1C ZINC000790299708 1162143580 /nfs/dbraw/zinc/14/35/80/1162143580.db2.gz HRCJKOGNAJZPDN-UHFFFAOYSA-N 1 2 274.324 1.891 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)C2(CF)CCC2)CC1 ZINC001113357087 1162160299 /nfs/dbraw/zinc/16/02/99/1162160299.db2.gz AYGGNMSBPRGYDJ-UHFFFAOYSA-N 1 2 284.375 1.473 20 30 CDEDLO Oc1ccc(/C=N\Cc2c[nH+]c3n2CCCC3)c(O)c1O ZINC000790575144 1162163641 /nfs/dbraw/zinc/16/36/41/1162163641.db2.gz PBLYAHLWSUHARQ-APSNUPSMSA-N 1 2 287.319 1.955 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2cnoc2CC)CC1 ZINC001113391774 1162167590 /nfs/dbraw/zinc/16/75/90/1162167590.db2.gz SWRQEVOPGAGDAY-UHFFFAOYSA-N 1 2 293.367 1.197 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)OC[C@H]2CCCCO2)CC1 ZINC001113719062 1162265834 /nfs/dbraw/zinc/26/58/34/1162265834.db2.gz VDJGUEHITFYIDP-HUUCEWRRSA-N 1 2 296.411 1.291 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1c2ccccc2O[C@H]1C ZINC000811545215 1163495521 /nfs/dbraw/zinc/49/55/21/1163495521.db2.gz XSWINFIJSGQREI-NOLJZWGESA-N 1 2 284.359 1.722 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1c2ccccc2O[C@H]1C ZINC000811545215 1163495526 /nfs/dbraw/zinc/49/55/26/1163495526.db2.gz XSWINFIJSGQREI-NOLJZWGESA-N 1 2 284.359 1.722 20 30 CDEDLO C=C[C@H](CC)CC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000830162279 1163643862 /nfs/dbraw/zinc/64/38/62/1163643862.db2.gz HHBKIRRIYAKNIK-KGLIPLIRSA-N 1 2 268.401 1.816 20 30 CDEDLO C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000864788236 1164583736 /nfs/dbraw/zinc/58/37/36/1164583736.db2.gz CUMCAZQLYMOQGW-BAABZTOOSA-N 1 2 299.374 1.624 20 30 CDEDLO N#Cc1cc(NC(=O)/C=C/C[NH+]2CCOCC2)ccc1F ZINC000865150003 1164615937 /nfs/dbraw/zinc/61/59/37/1164615937.db2.gz OXNOVTHUXIBZCO-OWOJBTEDSA-N 1 2 289.310 1.524 20 30 CDEDLO C#Cc1cc(Nc2ccc(O)c([N+](=O)[O-])c2)cc[nH+]1 ZINC001210392568 1167360751 /nfs/dbraw/zinc/36/07/51/1167360751.db2.gz GJYSSRRNDKWSRS-UHFFFAOYSA-N 1 2 255.233 1.842 20 30 CDEDLO C=CCOc1ccc(OC(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)cc1 ZINC001573310960 1170193107 /nfs/dbraw/zinc/19/31/07/1170193107.db2.gz SCASIJNBRHCIDR-ZBFHGGJFSA-N 1 2 291.347 1.924 20 30 CDEDLO COc1cc(C#N)ccc1OC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC001574012424 1170863661 /nfs/dbraw/zinc/86/36/61/1170863661.db2.gz KMYLSPOOQZTHLI-NHYWBVRUSA-N 1 2 290.319 1.239 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001588325734 1172628065 /nfs/dbraw/zinc/62/80/65/1172628065.db2.gz UGIOZTSZJJQJLP-SECBINFHSA-N 1 2 286.295 1.228 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001588325734 1172628071 /nfs/dbraw/zinc/62/80/71/1172628071.db2.gz UGIOZTSZJJQJLP-SECBINFHSA-N 1 2 286.295 1.228 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)CCCn2ccnc2C)C1 ZINC001752401785 1184859389 /nfs/dbraw/zinc/85/93/89/1184859389.db2.gz FDJFBUOGFDUPGN-HNNXBMFYSA-N 1 2 288.395 1.186 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)CCCn2ccnc2C)C1 ZINC001752401785 1184859394 /nfs/dbraw/zinc/85/93/94/1184859394.db2.gz FDJFBUOGFDUPGN-HNNXBMFYSA-N 1 2 288.395 1.186 20 30 CDEDLO C=CCCC(=O)N(C)CC[NH2+][C@H](C)c1nc(C)no1 ZINC001753174479 1185103410 /nfs/dbraw/zinc/10/34/10/1185103410.db2.gz FTCSUDCBSAUWDP-SNVBAGLBSA-N 1 2 266.345 1.453 20 30 CDEDLO C=CCCCC(=O)N(C)CC[NH2+]Cc1csnn1 ZINC001753226092 1185123487 /nfs/dbraw/zinc/12/34/87/1185123487.db2.gz KFSJPWNCACQFEA-UHFFFAOYSA-N 1 2 268.386 1.442 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)COc2ccccc2)C1 ZINC001753655381 1185289633 /nfs/dbraw/zinc/28/96/33/1185289633.db2.gz AYCRWIVYXGIOFS-OAHLLOKOSA-N 1 2 290.363 1.068 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)COc2ccccc2)C1 ZINC001753655381 1185289640 /nfs/dbraw/zinc/28/96/40/1185289640.db2.gz AYCRWIVYXGIOFS-OAHLLOKOSA-N 1 2 290.363 1.068 20 30 CDEDLO Cc1cnc([C@H](C)[NH2+]C/C=C\CNC(=O)C#CC2CC2)o1 ZINC001754119881 1185474073 /nfs/dbraw/zinc/47/40/73/1185474073.db2.gz REJQRQHIBVJXCU-SCOBNMCVSA-N 1 2 287.363 1.719 20 30 CDEDLO C#CCC[NH2+]C/C=C/CNC(=O)C(F)C(F)(F)F ZINC001754123014 1185475338 /nfs/dbraw/zinc/47/53/38/1185475338.db2.gz KIJSUMCIBDFLSC-XNPJLODASA-N 1 2 266.238 1.172 20 30 CDEDLO C#CCC[NH2+]C/C=C/CNC(=O)[C@@H](F)C(F)(F)F ZINC001754123014 1185475341 /nfs/dbraw/zinc/47/53/41/1185475341.db2.gz KIJSUMCIBDFLSC-XNPJLODASA-N 1 2 266.238 1.172 20 30 CDEDLO C=CCOCC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)c1ncc(C)o1 ZINC001754304699 1185564237 /nfs/dbraw/zinc/56/42/37/1185564237.db2.gz GHTRUJVELUSDLH-YPMHNXCESA-N 1 2 295.383 1.683 20 30 CDEDLO C=CCOCC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)c1ncc(C)o1 ZINC001754304699 1185564242 /nfs/dbraw/zinc/56/42/42/1185564242.db2.gz GHTRUJVELUSDLH-YPMHNXCESA-N 1 2 295.383 1.683 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](CCC)OCC ZINC001754492038 1185640475 /nfs/dbraw/zinc/64/04/75/1185640475.db2.gz UMPPSNFTMYTBDO-OLZOCXBDSA-N 1 2 252.358 1.015 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](CCC)OCC ZINC001754492038 1185640478 /nfs/dbraw/zinc/64/04/78/1185640478.db2.gz UMPPSNFTMYTBDO-OLZOCXBDSA-N 1 2 252.358 1.015 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)COc1cc(F)cc(F)c1 ZINC001754506054 1185648395 /nfs/dbraw/zinc/64/83/95/1185648395.db2.gz VSWPEQWETDJLSH-CYBMUJFWSA-N 1 2 294.301 1.167 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)COc1cc(F)cc(F)c1 ZINC001754506054 1185648398 /nfs/dbraw/zinc/64/83/98/1185648398.db2.gz VSWPEQWETDJLSH-CYBMUJFWSA-N 1 2 294.301 1.167 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)COC(C)(C)C ZINC001754964746 1185770843 /nfs/dbraw/zinc/77/08/43/1185770843.db2.gz FIYIZOADKRWIAA-ZDUSSCGKSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)COC(C)(C)C ZINC001754964746 1185770846 /nfs/dbraw/zinc/77/08/46/1185770846.db2.gz FIYIZOADKRWIAA-ZDUSSCGKSA-N 1 2 284.400 1.195 20 30 CDEDLO CC#CCCCC(=O)NCC1([NH2+]Cc2cnon2)CCC1 ZINC001754984903 1185778902 /nfs/dbraw/zinc/77/89/02/1185778902.db2.gz BOWOXGKALKVEGF-UHFFFAOYSA-N 1 2 290.367 1.392 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)C1(C)CC1)O2 ZINC001755054555 1185801198 /nfs/dbraw/zinc/80/11/98/1185801198.db2.gz PXVCFZAXTDIQKW-CYBMUJFWSA-N 1 2 278.396 1.712 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)/C=C(/C)CC)CO2 ZINC001755061606 1185803200 /nfs/dbraw/zinc/80/32/00/1185803200.db2.gz MWIRSQAKBBKVAC-CNTYAEFGSA-N 1 2 278.396 1.878 20 30 CDEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2COCCOC ZINC001273995600 1166514914 /nfs/dbraw/zinc/51/49/14/1166514914.db2.gz KLTBFCDBNDYJET-INIZCTEOSA-N 1 2 296.411 1.640 20 30 CDEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2COCCOC ZINC001273995600 1166514920 /nfs/dbraw/zinc/51/49/20/1166514920.db2.gz KLTBFCDBNDYJET-INIZCTEOSA-N 1 2 296.411 1.640 20 30 CDEDLO CC(=[NH+]N(C)[C@@H](C)CO)c1cc(F)c(N)c(F)c1 ZINC000842538796 811809219 /nfs/dbraw/zinc/80/92/19/811809219.db2.gz OXSXWDKOVKHLFL-ZETCQYMHSA-N 1 2 257.284 1.584 20 30 CDEDLO C#CCCCCC(=O)O[C@H](COC)C[N@@H+]1CCO[C@@H](C)C1 ZINC000842972844 811813442 /nfs/dbraw/zinc/81/34/42/811813442.db2.gz IFBLQSDLWBARLB-GJZGRUSLSA-N 1 2 297.395 1.459 20 30 CDEDLO C#CCCCCC(=O)O[C@H](COC)C[N@H+]1CCO[C@@H](C)C1 ZINC000842972844 811813443 /nfs/dbraw/zinc/81/34/43/811813443.db2.gz IFBLQSDLWBARLB-GJZGRUSLSA-N 1 2 297.395 1.459 20 30 CDEDLO C#CC[N@H+]1CC[C@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001041304348 812427679 /nfs/dbraw/zinc/42/76/79/812427679.db2.gz NDGPLLZBWULJCY-JQWIXIFHSA-N 1 2 292.276 1.444 20 30 CDEDLO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001041304348 812427696 /nfs/dbraw/zinc/42/76/96/812427696.db2.gz NDGPLLZBWULJCY-JQWIXIFHSA-N 1 2 292.276 1.444 20 30 CDEDLO C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001041304348 812427717 /nfs/dbraw/zinc/42/77/17/812427717.db2.gz NDGPLLZBWULJCY-JQWIXIFHSA-N 1 2 292.276 1.444 20 30 CDEDLO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001041304348 812427764 /nfs/dbraw/zinc/42/77/64/812427764.db2.gz NDGPLLZBWULJCY-JQWIXIFHSA-N 1 2 292.276 1.444 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cccc1 ZINC001018191521 812823986 /nfs/dbraw/zinc/82/39/86/812823986.db2.gz AXMWUACOEZXHFT-HRCADAONSA-N 1 2 285.391 1.748 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cccc1 ZINC001018191521 812823987 /nfs/dbraw/zinc/82/39/87/812823987.db2.gz AXMWUACOEZXHFT-HRCADAONSA-N 1 2 285.391 1.748 20 30 CDEDLO CC[C@@H](OC)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004366113 812865235 /nfs/dbraw/zinc/86/52/35/812865235.db2.gz ANJXDKCJMUBVOI-HUUCEWRRSA-N 1 2 293.411 1.638 20 30 CDEDLO CC[C@@H](OC)C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004366113 812865237 /nfs/dbraw/zinc/86/52/37/812865237.db2.gz ANJXDKCJMUBVOI-HUUCEWRRSA-N 1 2 293.411 1.638 20 30 CDEDLO CCc1nc(CO[NH+]=C(N)Cc2ccccc2)no1 ZINC000067098398 813834631 /nfs/dbraw/zinc/83/46/31/813834631.db2.gz NYXLIYOQBRIYDA-UHFFFAOYSA-N 1 2 260.297 1.664 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C2CC2)oc1C ZINC001032708037 805010766 /nfs/dbraw/zinc/01/07/66/805010766.db2.gz XBJCFYBKAHZPSP-STQMWFEESA-N 1 2 287.363 1.945 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C2CC2)oc1C ZINC001032708037 805010775 /nfs/dbraw/zinc/01/07/75/805010775.db2.gz XBJCFYBKAHZPSP-STQMWFEESA-N 1 2 287.363 1.945 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2sc(Cl)nc2C)C1 ZINC001014583764 805031468 /nfs/dbraw/zinc/03/14/68/805031468.db2.gz NMEXQMNJHYARQD-SNVBAGLBSA-N 1 2 297.811 1.932 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2sc(Cl)nc2C)C1 ZINC001014583764 805031483 /nfs/dbraw/zinc/03/14/83/805031483.db2.gz NMEXQMNJHYARQD-SNVBAGLBSA-N 1 2 297.811 1.932 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2cccnc2c1 ZINC001038832616 805051005 /nfs/dbraw/zinc/05/10/05/805051005.db2.gz YIGVTNYOXCEULS-OAHLLOKOSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2cccnc2c1 ZINC001038832616 805051016 /nfs/dbraw/zinc/05/10/16/805051016.db2.gz YIGVTNYOXCEULS-OAHLLOKOSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2ccc3c(c2)OCO3)CC1 ZINC000221708266 805068685 /nfs/dbraw/zinc/06/86/85/805068685.db2.gz GCUXAPOHXRBRBD-XQRVVYSFSA-N 1 2 298.342 1.206 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(-n3cncn3)cc2)C1 ZINC001030473133 805077127 /nfs/dbraw/zinc/07/71/27/805077127.db2.gz ZUOWAXHCZIKKNY-UHFFFAOYSA-N 1 2 297.362 1.257 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC2(C1)CCOCC2 ZINC001032731071 805085535 /nfs/dbraw/zinc/08/55/35/805085535.db2.gz YRFJGRLCAIMEJY-GJZGRUSLSA-N 1 2 288.391 1.112 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC2(C1)CCOCC2 ZINC001032731071 805085546 /nfs/dbraw/zinc/08/55/46/805085546.db2.gz YRFJGRLCAIMEJY-GJZGRUSLSA-N 1 2 288.391 1.112 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)oc2C)C1 ZINC001035289196 805143780 /nfs/dbraw/zinc/14/37/80/805143780.db2.gz XQZIVHWDGRUNLK-CQSZACIVSA-N 1 2 290.363 1.350 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc(C)oc2C)C1 ZINC001035289196 805143793 /nfs/dbraw/zinc/14/37/93/805143793.db2.gz XQZIVHWDGRUNLK-CQSZACIVSA-N 1 2 290.363 1.350 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2nccn2CC)C1 ZINC001046276755 805316087 /nfs/dbraw/zinc/31/60/87/805316087.db2.gz SIABNNPRTOEXCU-CQSZACIVSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2nccn2CC)C1 ZINC001046276755 805316096 /nfs/dbraw/zinc/31/60/96/805316096.db2.gz SIABNNPRTOEXCU-CQSZACIVSA-N 1 2 296.802 1.850 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CCNc1cc(C)ncc1C#N ZINC000872773772 805332801 /nfs/dbraw/zinc/33/28/01/805332801.db2.gz VTJWPOOKBZYCJQ-AWEZNQCLSA-N 1 2 274.368 1.206 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CCNc1cc(C)ncc1C#N ZINC000872773772 805332813 /nfs/dbraw/zinc/33/28/13/805332813.db2.gz VTJWPOOKBZYCJQ-AWEZNQCLSA-N 1 2 274.368 1.206 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2scnc2C2CC2)C1 ZINC000923566137 805348666 /nfs/dbraw/zinc/34/86/66/805348666.db2.gz JCISJYMRNBBQJV-GFCCVEGCSA-N 1 2 289.404 1.848 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2scnc2C2CC2)C1 ZINC000923566137 805348677 /nfs/dbraw/zinc/34/86/77/805348677.db2.gz JCISJYMRNBBQJV-GFCCVEGCSA-N 1 2 289.404 1.848 20 30 CDEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cccc(=O)[nH]1 ZINC000933394796 805351753 /nfs/dbraw/zinc/35/17/53/805351753.db2.gz XNOSZCDOCLACFL-HNNXBMFYSA-N 1 2 288.351 1.027 20 30 CDEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cccc(=O)[nH]1 ZINC000933394796 805351763 /nfs/dbraw/zinc/35/17/63/805351763.db2.gz XNOSZCDOCLACFL-HNNXBMFYSA-N 1 2 288.351 1.027 20 30 CDEDLO N#Cc1cncc(CN2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000930109215 805355840 /nfs/dbraw/zinc/35/58/40/805355840.db2.gz CBFIQAZBAWCRBC-UHFFFAOYSA-N 1 2 293.374 1.666 20 30 CDEDLO COc1ccccc1C(=[NH2+])NOC=C(O)c1cccn1C ZINC000171186579 811067597 /nfs/dbraw/zinc/06/75/97/811067597.db2.gz KGNOMLJDUBEXAU-UHFFFAOYSA-N 1 2 287.319 1.554 20 30 CDEDLO C[C@@H](C#N)OCC[N@@H+]1CCOc2cccc(F)c2C1 ZINC000801955150 811091579 /nfs/dbraw/zinc/09/15/79/811091579.db2.gz QLVCXSOPUZVEKB-NSHDSACASA-N 1 2 264.300 1.949 20 30 CDEDLO C[C@@H](C#N)OCC[N@H+]1CCOc2cccc(F)c2C1 ZINC000801955150 811091592 /nfs/dbraw/zinc/09/15/92/811091592.db2.gz QLVCXSOPUZVEKB-NSHDSACASA-N 1 2 264.300 1.949 20 30 CDEDLO C=CCCC(C)(C)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000869308717 811097282 /nfs/dbraw/zinc/09/72/82/811097282.db2.gz NQANHPZVKJCICK-VOTSOKGWSA-N 1 2 266.385 1.736 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(C(C)(C)C)c1 ZINC001038437464 811248335 /nfs/dbraw/zinc/24/83/35/811248335.db2.gz GYHNGICNZQUTPX-AWEZNQCLSA-N 1 2 288.395 1.466 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(C(C)(C)C)c1 ZINC001038437464 811248354 /nfs/dbraw/zinc/24/83/54/811248354.db2.gz GYHNGICNZQUTPX-AWEZNQCLSA-N 1 2 288.395 1.466 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCO[C@H]2C)C1 ZINC001032075626 811300890 /nfs/dbraw/zinc/30/08/90/811300890.db2.gz GWQONISXETZSLU-CMPLNLGQSA-N 1 2 272.776 1.212 20 30 CDEDLO CCO[C@@H](C)c1nc(CO[NH+]=C(N)CCO)cs1 ZINC000121366152 811309757 /nfs/dbraw/zinc/30/97/57/811309757.db2.gz SRSGXFJOIHYRGL-QMMMGPOBSA-N 1 2 273.358 1.412 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCOc2ccccc21 ZINC001038821996 811344143 /nfs/dbraw/zinc/34/41/43/811344143.db2.gz HTSXSJRUWINMAM-DZGCQCFKSA-N 1 2 284.359 1.376 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCOc2ccccc21 ZINC001038821996 811344154 /nfs/dbraw/zinc/34/41/54/811344154.db2.gz HTSXSJRUWINMAM-DZGCQCFKSA-N 1 2 284.359 1.376 20 30 CDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cc[nH]n2)CC1 ZINC001004354002 811359222 /nfs/dbraw/zinc/35/92/22/811359222.db2.gz AEKHAAYZPXIABO-AWEZNQCLSA-N 1 2 287.367 1.250 20 30 CDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cc[nH]n2)CC1 ZINC001004354002 811359235 /nfs/dbraw/zinc/35/92/35/811359235.db2.gz AEKHAAYZPXIABO-AWEZNQCLSA-N 1 2 287.367 1.250 20 30 CDEDLO N#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccnc2)[nH]1 ZINC001038171072 811385455 /nfs/dbraw/zinc/38/54/55/811385455.db2.gz VVKNUYKZEFOYMG-CQSZACIVSA-N 1 2 295.346 1.286 20 30 CDEDLO N#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccnc2)[nH]1 ZINC001038171072 811385458 /nfs/dbraw/zinc/38/54/58/811385458.db2.gz VVKNUYKZEFOYMG-CQSZACIVSA-N 1 2 295.346 1.286 20 30 CDEDLO COCC#CCO[NH+]=C(N)c1ccc(OC)c(OC)c1 ZINC000775681272 811388284 /nfs/dbraw/zinc/38/82/84/811388284.db2.gz OISAWMPLMYEKQN-UHFFFAOYSA-N 1 2 278.308 1.200 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](C[C@H](O)CC2(O)CCCCC2)C1 ZINC000932149871 811562959 /nfs/dbraw/zinc/56/29/59/811562959.db2.gz MGACKWROVMNVAJ-UONOGXRCSA-N 1 2 266.385 1.668 20 30 CDEDLO N#C[C@@H]1CCC[N@H+](C[C@H](O)CC2(O)CCCCC2)C1 ZINC000932149871 811562986 /nfs/dbraw/zinc/56/29/86/811562986.db2.gz MGACKWROVMNVAJ-UONOGXRCSA-N 1 2 266.385 1.668 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCOC[C@H](C)C1 ZINC000328675231 811583016 /nfs/dbraw/zinc/58/30/16/811583016.db2.gz KMDYZLXPFJOREG-MFKMUULPSA-N 1 2 294.399 1.982 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCOC[C@H](C)C1 ZINC000328675231 811583048 /nfs/dbraw/zinc/58/30/48/811583048.db2.gz KMDYZLXPFJOREG-MFKMUULPSA-N 1 2 294.399 1.982 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCC)C[C@H]21 ZINC001074144738 811664574 /nfs/dbraw/zinc/66/45/74/811664574.db2.gz UTYWUGBEGHAFQE-KGLIPLIRSA-N 1 2 266.385 1.664 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCC)C[C@H]21 ZINC001074144738 811664581 /nfs/dbraw/zinc/66/45/81/811664581.db2.gz UTYWUGBEGHAFQE-KGLIPLIRSA-N 1 2 266.385 1.664 20 30 CDEDLO C#CCOCCC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927089019 811715498 /nfs/dbraw/zinc/71/54/98/811715498.db2.gz ZPLXMEBIPIUKJA-UHFFFAOYSA-N 1 2 287.363 1.524 20 30 CDEDLO N#CCCCC(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC000842882977 811731823 /nfs/dbraw/zinc/73/18/23/811731823.db2.gz FKCZOWIKLNRJHG-UHFFFAOYSA-N 1 2 259.309 1.755 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncc(Cl)c1 ZINC001038811578 811817392 /nfs/dbraw/zinc/81/73/92/811817392.db2.gz IPSFUMCZOIGXJW-CYBMUJFWSA-N 1 2 277.755 1.562 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cncc(Cl)c1 ZINC001038811578 811817394 /nfs/dbraw/zinc/81/73/94/811817394.db2.gz IPSFUMCZOIGXJW-CYBMUJFWSA-N 1 2 277.755 1.562 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CC[C@@H](C)O3)cc2C1 ZINC001054282315 811857964 /nfs/dbraw/zinc/85/79/64/811857964.db2.gz AVYVMQZEKUWMAA-CXAGYDPISA-N 1 2 298.386 1.819 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC[C@@H](C)O3)cc2C1 ZINC001054282315 811857965 /nfs/dbraw/zinc/85/79/65/811857965.db2.gz AVYVMQZEKUWMAA-CXAGYDPISA-N 1 2 298.386 1.819 20 30 CDEDLO C=CCN1CCN(C[NH+]2CCC(C(=O)OCC)CC2)C1=O ZINC000839951335 811863877 /nfs/dbraw/zinc/86/38/77/811863877.db2.gz SZVMGOLKALXYIC-UHFFFAOYSA-N 1 2 295.383 1.143 20 30 CDEDLO C#CC[C@H](CCOC)NC(=O)NCCCn1cc[nH+]c1 ZINC000864405335 811864767 /nfs/dbraw/zinc/86/47/67/811864767.db2.gz HTYOFQSHXYGALP-CYBMUJFWSA-N 1 2 278.356 1.001 20 30 CDEDLO COC(=O)c1ccccc1N[NH+]=Cc1cnc(N(C)C)nc1 ZINC000814894381 811898894 /nfs/dbraw/zinc/89/88/94/811898894.db2.gz LYSHYWGUOXUENY-UHFFFAOYSA-N 1 2 299.334 1.775 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@@H](C)CO2)CC1 ZINC001000967817 811902237 /nfs/dbraw/zinc/90/22/37/811902237.db2.gz JBNBQHCDOSOZHO-RISCZKNCSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@@H](C)CO2)CC1 ZINC001000967817 811902267 /nfs/dbraw/zinc/90/22/67/811902267.db2.gz JBNBQHCDOSOZHO-RISCZKNCSA-N 1 2 298.814 1.912 20 30 CDEDLO CC(C)(C)CNC(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000863455202 811912925 /nfs/dbraw/zinc/91/29/25/811912925.db2.gz YQKWUEIQYGOSIO-UHFFFAOYSA-N 1 2 281.331 1.625 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccco1)O2 ZINC001053563359 812059904 /nfs/dbraw/zinc/05/99/04/812059904.db2.gz WQQSOCHVESZPBR-ZDUSSCGKSA-N 1 2 290.363 1.819 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC(C(C)(C)C)C1 ZINC001032811851 812086375 /nfs/dbraw/zinc/08/63/75/812086375.db2.gz QMAKNMGTGNVVTI-WUCCLRPBSA-N 1 2 274.408 1.977 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC(C(C)(C)C)C1 ZINC001032811851 812086380 /nfs/dbraw/zinc/08/63/80/812086380.db2.gz QMAKNMGTGNVVTI-WUCCLRPBSA-N 1 2 274.408 1.977 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2c([nH]1)CCCC2 ZINC001038894019 812189304 /nfs/dbraw/zinc/18/93/04/812189304.db2.gz JSNFZCRGXWKNBM-ZDUSSCGKSA-N 1 2 271.364 1.331 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c([nH]1)CCCC2 ZINC001038894019 812189336 /nfs/dbraw/zinc/18/93/36/812189336.db2.gz JSNFZCRGXWKNBM-ZDUSSCGKSA-N 1 2 271.364 1.331 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)C2CCC(C)CC2)C1 ZINC000885509642 812205990 /nfs/dbraw/zinc/20/59/90/812205990.db2.gz VJLQDUWNCAPLCB-SHARSMKWSA-N 1 2 298.452 1.582 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)C2CCC(C)CC2)C1 ZINC000885509642 812206021 /nfs/dbraw/zinc/20/60/21/812206021.db2.gz VJLQDUWNCAPLCB-SHARSMKWSA-N 1 2 298.452 1.582 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C/C3CC3)C[C@H]21 ZINC001074201194 812236144 /nfs/dbraw/zinc/23/61/44/812236144.db2.gz HNYQLAMQSAFERC-YCZSJOHXSA-N 1 2 288.391 1.278 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C/C3CC3)C[C@H]21 ZINC001074201194 812236188 /nfs/dbraw/zinc/23/61/88/812236188.db2.gz HNYQLAMQSAFERC-YCZSJOHXSA-N 1 2 288.391 1.278 20 30 CDEDLO C=CCC1(O)CC[NH+]([C@@H](C)c2nc(C)no2)CC1 ZINC000886761526 812305597 /nfs/dbraw/zinc/30/55/97/812305597.db2.gz FXJSEOWLRYAIEW-JTQLQIEISA-N 1 2 251.330 1.842 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cnc(-c3ccccc3)o2)C1 ZINC001014835537 812307886 /nfs/dbraw/zinc/30/78/86/812307886.db2.gz AAPCUTLJMUTTCL-AWEZNQCLSA-N 1 2 295.342 1.779 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnc(-c3ccccc3)o2)C1 ZINC001014835537 812307895 /nfs/dbraw/zinc/30/78/95/812307895.db2.gz AAPCUTLJMUTTCL-AWEZNQCLSA-N 1 2 295.342 1.779 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccns2)[C@@H]1C ZINC000993391521 812405112 /nfs/dbraw/zinc/40/51/12/812405112.db2.gz GTDTZVTYQJHSNQ-RYUDHWBXSA-N 1 2 277.393 1.749 20 30 CDEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccns2)[C@@H]1C ZINC000993391521 812405142 /nfs/dbraw/zinc/40/51/42/812405142.db2.gz GTDTZVTYQJHSNQ-RYUDHWBXSA-N 1 2 277.393 1.749 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)C)on1 ZINC001038556296 812498584 /nfs/dbraw/zinc/49/85/84/812498584.db2.gz XQZBVQDZULQADG-LLVKDONJSA-N 1 2 263.341 1.788 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)C)on1 ZINC001038556296 812498614 /nfs/dbraw/zinc/49/86/14/812498614.db2.gz XQZBVQDZULQADG-LLVKDONJSA-N 1 2 263.341 1.788 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCO[C@H]2CC)C1 ZINC001042883903 812524518 /nfs/dbraw/zinc/52/45/18/812524518.db2.gz DHWZZPAQZILSBZ-CABCVRRESA-N 1 2 280.412 1.910 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnnc2ccccc21 ZINC001038748289 812566322 /nfs/dbraw/zinc/56/63/22/812566322.db2.gz FAJDLYBVIVFMMV-LBPRGKRZSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnnc2ccccc21 ZINC001038748289 812566354 /nfs/dbraw/zinc/56/63/54/812566354.db2.gz FAJDLYBVIVFMMV-LBPRGKRZSA-N 1 2 280.331 1.067 20 30 CDEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc(O)cc1 ZINC000792405624 812718323 /nfs/dbraw/zinc/71/83/23/812718323.db2.gz DJEBHOCQKDRKCQ-UHFFFAOYSA-N 1 2 264.325 1.465 20 30 CDEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc(O)cc1 ZINC000792405624 812718341 /nfs/dbraw/zinc/71/83/41/812718341.db2.gz DJEBHOCQKDRKCQ-UHFFFAOYSA-N 1 2 264.325 1.465 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(F)cc1F ZINC001032416166 812736670 /nfs/dbraw/zinc/73/66/70/812736670.db2.gz XXMAKAZXQUYACI-KBPBESRZSA-N 1 2 290.313 1.426 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(F)cc1F ZINC001032416166 812736695 /nfs/dbraw/zinc/73/66/95/812736695.db2.gz XXMAKAZXQUYACI-KBPBESRZSA-N 1 2 290.313 1.426 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cnoc2)[C@@H]1C ZINC000993713227 812795155 /nfs/dbraw/zinc/79/51/55/812795155.db2.gz CINIYXBBWQUFAB-AAEUAGOBSA-N 1 2 297.786 1.939 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cnoc2)[C@@H]1C ZINC000993713227 812795188 /nfs/dbraw/zinc/79/51/88/812795188.db2.gz CINIYXBBWQUFAB-AAEUAGOBSA-N 1 2 297.786 1.939 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](CC[C@@H](C)F)C2)cn1 ZINC001031278419 812811926 /nfs/dbraw/zinc/81/19/26/812811926.db2.gz LRWMTWZFMWZKRN-LLVKDONJSA-N 1 2 275.327 1.225 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2nnc3n2CCCCC3)CC1 ZINC000886778511 812831171 /nfs/dbraw/zinc/83/11/71/812831171.db2.gz DTSWKCSBZDTOSY-UHFFFAOYSA-N 1 2 290.411 1.908 20 30 CDEDLO COC(=O)c1ccc(C=NNc2[nH+]ccn2C)cc1 ZINC000790305717 812838691 /nfs/dbraw/zinc/83/86/91/812838691.db2.gz NNDZPFCOYIRPEL-UHFFFAOYSA-N 1 2 258.281 1.653 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCn3cc(C)nc3C2)C1 ZINC001030525166 812845630 /nfs/dbraw/zinc/84/56/30/812845630.db2.gz BMYSNKRENYWFIT-CYBMUJFWSA-N 1 2 288.395 1.130 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4[nH]nnc4c3)[C@@H]2C1 ZINC001076556626 812879722 /nfs/dbraw/zinc/87/97/22/812879722.db2.gz UFVDBVCYTCWVJP-SWLSCSKDSA-N 1 2 297.362 1.290 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4[nH]nnc4c3)[C@@H]2C1 ZINC001076556626 812879724 /nfs/dbraw/zinc/87/97/24/812879724.db2.gz UFVDBVCYTCWVJP-SWLSCSKDSA-N 1 2 297.362 1.290 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001038441719 813006712 /nfs/dbraw/zinc/00/67/12/813006712.db2.gz CWBNQBFJIIPGIB-NSHDSACASA-N 1 2 274.368 1.145 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001038441719 813006726 /nfs/dbraw/zinc/00/67/26/813006726.db2.gz CWBNQBFJIIPGIB-NSHDSACASA-N 1 2 274.368 1.145 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2=CCCC2)C1 ZINC001031611388 813061161 /nfs/dbraw/zinc/06/11/61/813061161.db2.gz KXYKDEOWMQDAAP-UHFFFAOYSA-N 1 2 254.761 1.897 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2ncccc2o1 ZINC001038532051 813061279 /nfs/dbraw/zinc/06/12/79/813061279.db2.gz JMAXSVCGHJEMLP-NSHDSACASA-N 1 2 271.320 1.818 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc2ncccc2o1 ZINC001038532051 813061289 /nfs/dbraw/zinc/06/12/89/813061289.db2.gz JMAXSVCGHJEMLP-NSHDSACASA-N 1 2 271.320 1.818 20 30 CDEDLO CC[C@@H](C)[C@H](C(=O)OC)[NH+]1CCN(CCC#N)CC1 ZINC000930116695 813112226 /nfs/dbraw/zinc/11/22/26/813112226.db2.gz OMRKPNBSVFHBQX-CHWSQXEVSA-N 1 2 267.373 1.105 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(C)C ZINC001018125606 813292066 /nfs/dbraw/zinc/29/20/66/813292066.db2.gz WRDPIVULWSHXFT-QXSJWSMHSA-N 1 2 274.408 1.977 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(C)C ZINC001018125606 813292100 /nfs/dbraw/zinc/29/21/00/813292100.db2.gz WRDPIVULWSHXFT-QXSJWSMHSA-N 1 2 274.408 1.977 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2CCCCO2)C1 ZINC001030207017 813306158 /nfs/dbraw/zinc/30/61/58/813306158.db2.gz NPJLCZSZPJKJFQ-ZDUSSCGKSA-N 1 2 252.358 1.322 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C)cc2)C1 ZINC001035585858 813308541 /nfs/dbraw/zinc/30/85/41/813308541.db2.gz ITCCAEVFRYPHNI-HNNXBMFYSA-N 1 2 274.364 1.612 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C)cc2)C1 ZINC001035585858 813308554 /nfs/dbraw/zinc/30/85/54/813308554.db2.gz ITCCAEVFRYPHNI-HNNXBMFYSA-N 1 2 274.364 1.612 20 30 CDEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)CCC)C2)CC1 ZINC001051971837 813345910 /nfs/dbraw/zinc/34/59/10/813345910.db2.gz ZVQQVXHOILAXHL-HNNXBMFYSA-N 1 2 277.412 1.028 20 30 CDEDLO C#CCC(C)(C)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800203591 813376942 /nfs/dbraw/zinc/37/69/42/813376942.db2.gz UWADAACWVQEUEN-LBPRGKRZSA-N 1 2 253.342 1.300 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc3ccccc3c(=O)[nH]2)C1 ZINC001030442599 813356395 /nfs/dbraw/zinc/35/63/95/813356395.db2.gz YTIZECJIZHJWJH-UHFFFAOYSA-N 1 2 297.358 1.931 20 30 CDEDLO C#CCC(C)(C)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800203591 813376930 /nfs/dbraw/zinc/37/69/30/813376930.db2.gz UWADAACWVQEUEN-LBPRGKRZSA-N 1 2 253.342 1.300 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](C[C@H](O)c2c(F)cccc2F)C1 ZINC000829975746 813449980 /nfs/dbraw/zinc/44/99/80/813449980.db2.gz TVRFLQIMECRBPS-JSGCOSHPSA-N 1 2 282.290 1.349 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](C[C@H](O)c2c(F)cccc2F)C1 ZINC000829975746 813450015 /nfs/dbraw/zinc/45/00/15/813450015.db2.gz TVRFLQIMECRBPS-JSGCOSHPSA-N 1 2 282.290 1.349 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1oc(C)nc1C ZINC001038131866 813459795 /nfs/dbraw/zinc/45/97/95/813459795.db2.gz VKNBLTQRKXMQDN-GFCCVEGCSA-N 1 2 261.325 1.119 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1oc(C)nc1C ZINC001038131866 813459799 /nfs/dbraw/zinc/45/97/99/813459799.db2.gz VKNBLTQRKXMQDN-GFCCVEGCSA-N 1 2 261.325 1.119 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)cc1C ZINC001032598907 813579739 /nfs/dbraw/zinc/57/97/39/813579739.db2.gz FJZWKWLSFJYCCN-KBPBESRZSA-N 1 2 284.359 1.536 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)cc1C ZINC001032598907 813579756 /nfs/dbraw/zinc/57/97/56/813579756.db2.gz FJZWKWLSFJYCCN-KBPBESRZSA-N 1 2 284.359 1.536 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2c1CCCC2 ZINC001018144161 813733446 /nfs/dbraw/zinc/73/34/46/813733446.db2.gz NYXUXPLELAAWDW-OKILXGFUSA-N 1 2 298.390 1.141 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2c1CCCC2 ZINC001018144161 813733482 /nfs/dbraw/zinc/73/34/82/813733482.db2.gz NYXUXPLELAAWDW-OKILXGFUSA-N 1 2 298.390 1.141 20 30 CDEDLO Nc1cc(COC(=O)C#Cc2ccccc2)cc[nH+]1 ZINC000791572680 813801877 /nfs/dbraw/zinc/80/18/77/813801877.db2.gz KGIVGPSBLJDDOM-UHFFFAOYSA-N 1 2 252.273 1.759 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)sc1C ZINC001032504196 813817116 /nfs/dbraw/zinc/81/71/16/813817116.db2.gz MTGFBYUWSXPFAS-STQMWFEESA-N 1 2 274.389 1.897 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)sc1C ZINC001032504196 813817118 /nfs/dbraw/zinc/81/71/18/813817118.db2.gz MTGFBYUWSXPFAS-STQMWFEESA-N 1 2 274.389 1.897 20 30 CDEDLO N#Cc1ccc(N2CCN(c3cc[nH+]cc3F)CC2)cn1 ZINC000882317598 813831187 /nfs/dbraw/zinc/83/11/87/813831187.db2.gz CLCKWGSAXCMFGZ-UHFFFAOYSA-N 1 2 283.310 1.814 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1c(C)noc1C ZINC000072513697 813839315 /nfs/dbraw/zinc/83/93/15/813839315.db2.gz VKATVDDLZOXLNE-SNVBAGLBSA-N 1 2 294.355 1.124 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1c(C)noc1C ZINC000072513697 813839316 /nfs/dbraw/zinc/83/93/16/813839316.db2.gz VKATVDDLZOXLNE-SNVBAGLBSA-N 1 2 294.355 1.124 20 30 CDEDLO C=C[C@@H](C)ONC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000845627946 813850155 /nfs/dbraw/zinc/85/01/55/813850155.db2.gz VGBXUVFIZBAZCZ-GHMZBOCLSA-N 1 2 264.329 1.425 20 30 CDEDLO C#CC[C@H]1NC(=O)N(CCc2cn3cccc(C)c3[nH+]2)C1=O ZINC000842244792 813856175 /nfs/dbraw/zinc/85/61/75/813856175.db2.gz TZHIVNDRIVLFSV-CYBMUJFWSA-N 1 2 296.330 1.129 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1c2ccccc2C[C@H]1C ZINC000884044236 813863391 /nfs/dbraw/zinc/86/33/91/813863391.db2.gz ZDBQRYFBUYPTRW-YPMHNXCESA-N 1 2 288.347 1.411 20 30 CDEDLO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCc2cnn[nH]2)[C@H]1C ZINC000987024768 813894544 /nfs/dbraw/zinc/89/45/44/813894544.db2.gz HDSXXQJQPSIGPC-CMPLNLGQSA-N 1 2 297.790 1.069 20 30 CDEDLO C#C[C@H](NC(=O)Nc1cc(C)[nH+]cc1C)[C@H]1CCCO1 ZINC000775696489 813912737 /nfs/dbraw/zinc/91/27/37/813912737.db2.gz BDZULZDQUNLJJZ-GXTWGEPZSA-N 1 2 273.336 1.423 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1COC ZINC001038450557 813966274 /nfs/dbraw/zinc/96/62/74/813966274.db2.gz NSASLJOOJGDUFY-AWEZNQCLSA-N 1 2 272.348 1.270 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1COC ZINC001038450557 813966290 /nfs/dbraw/zinc/96/62/90/813966290.db2.gz NSASLJOOJGDUFY-AWEZNQCLSA-N 1 2 272.348 1.270 20 30 CDEDLO C=CCn1c(=O)[nH]nc1SCc1cc[nH+]c(N(C)C)c1 ZINC000782112429 814021523 /nfs/dbraw/zinc/02/15/23/814021523.db2.gz QRHKQODAMVMJPV-UHFFFAOYSA-N 1 2 291.380 1.923 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccnn1CCCC ZINC000884077697 814029404 /nfs/dbraw/zinc/02/94/04/814029404.db2.gz VECWSJPMTLNINX-NSHDSACASA-N 1 2 294.355 1.068 20 30 CDEDLO C#CCSCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000847515880 814089468 /nfs/dbraw/zinc/08/94/68/814089468.db2.gz RATLIPUFZDLZPU-JTQLQIEISA-N 1 2 251.355 1.071 20 30 CDEDLO C#CCSCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000847515880 814089480 /nfs/dbraw/zinc/08/94/80/814089480.db2.gz RATLIPUFZDLZPU-JTQLQIEISA-N 1 2 251.355 1.071 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1OCC[C@H]1CC ZINC001038369346 814171683 /nfs/dbraw/zinc/17/16/83/814171683.db2.gz XEGGNBFXRMCOFH-RDBSUJKOSA-N 1 2 264.369 1.015 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1OCC[C@H]1CC ZINC001038369346 814171690 /nfs/dbraw/zinc/17/16/90/814171690.db2.gz XEGGNBFXRMCOFH-RDBSUJKOSA-N 1 2 264.369 1.015 20 30 CDEDLO CCOC(=O)C(C)(C)O[NH+]=Cc1cnc(N(C)C)nc1 ZINC000835007325 814218085 /nfs/dbraw/zinc/21/80/85/814218085.db2.gz NASDEINTGXZGES-UHFFFAOYSA-N 1 2 280.328 1.235 20 30 CDEDLO Cc1nc(N[C@@H]2CN(C(=O)[C@@H](C)C#N)CC2(C)C)cc[nH+]1 ZINC001069541565 814236379 /nfs/dbraw/zinc/23/63/79/814236379.db2.gz MFJHIJBAVHTNQL-CMPLNLGQSA-N 1 2 287.367 1.594 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)nc1C ZINC001018301324 814249704 /nfs/dbraw/zinc/24/97/04/814249704.db2.gz IBLACSOVKPXYJE-GASCZTMLSA-N 1 2 283.375 1.620 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)nc1C ZINC001018301324 814249711 /nfs/dbraw/zinc/24/97/11/814249711.db2.gz IBLACSOVKPXYJE-GASCZTMLSA-N 1 2 283.375 1.620 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@@H](C)Cc3c[nH]nc32)C1 ZINC001030836431 814250784 /nfs/dbraw/zinc/25/07/84/814250784.db2.gz OTSDIPLJEULDKI-SMDDNHRTSA-N 1 2 288.395 1.452 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnc3ccc(C)cn23)C1 ZINC001043335349 814269306 /nfs/dbraw/zinc/26/93/06/814269306.db2.gz ZSOMJHPDICJEGQ-UHFFFAOYSA-N 1 2 298.390 1.975 20 30 CDEDLO Cc1cccc(C[NH+]2CC(NC(=O)c3cc(C#N)c[nH]3)C2)c1 ZINC001030190571 814336784 /nfs/dbraw/zinc/33/67/84/814336784.db2.gz ATZLWLPUNCHDAH-UHFFFAOYSA-N 1 2 294.358 1.809 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1snnc1C ZINC001039328848 814346931 /nfs/dbraw/zinc/34/69/31/814346931.db2.gz JJOMWLZICPMSRN-NEPJUHHUSA-N 1 2 290.392 1.159 20 30 CDEDLO C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1snnc1C ZINC001039328848 814346944 /nfs/dbraw/zinc/34/69/44/814346944.db2.gz JJOMWLZICPMSRN-NEPJUHHUSA-N 1 2 290.392 1.159 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1n[nH]c2c1CCCCC2 ZINC001039021353 814399270 /nfs/dbraw/zinc/39/92/70/814399270.db2.gz LSNKTFJLQVPTHB-GFCCVEGCSA-N 1 2 286.379 1.116 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1n[nH]c2c1CCCCC2 ZINC001039021353 814399282 /nfs/dbraw/zinc/39/92/82/814399282.db2.gz LSNKTFJLQVPTHB-GFCCVEGCSA-N 1 2 286.379 1.116 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2coc(C3CC3)n2)CC1 ZINC000777242529 814423623 /nfs/dbraw/zinc/42/36/23/814423623.db2.gz FHJXSAUPVWKUAD-UHFFFAOYSA-N 1 2 273.336 1.333 20 30 CDEDLO CS[C@H]1CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000840113046 814429169 /nfs/dbraw/zinc/42/91/69/814429169.db2.gz JTZKIAOPPAMFNS-LBPRGKRZSA-N 1 2 289.404 1.603 20 30 CDEDLO CS[C@H]1CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000840113046 814429174 /nfs/dbraw/zinc/42/91/74/814429174.db2.gz JTZKIAOPPAMFNS-LBPRGKRZSA-N 1 2 289.404 1.603 20 30 CDEDLO C=CCONC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000836474659 814450072 /nfs/dbraw/zinc/45/00/72/814450072.db2.gz OBMJWNWIMCBXPN-UHFFFAOYSA-N 1 2 250.302 1.695 20 30 CDEDLO CC1(C)C[C@]1(C#N)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000936053553 814572000 /nfs/dbraw/zinc/57/20/00/814572000.db2.gz MCKINEOSWZMQOF-CQSZACIVSA-N 1 2 254.293 1.985 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccon1 ZINC001054034630 814680233 /nfs/dbraw/zinc/68/02/33/814680233.db2.gz UUDBNBBESGJDMR-OAHLLOKOSA-N 1 2 295.342 1.465 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccon1 ZINC001054034630 814680238 /nfs/dbraw/zinc/68/02/38/814680238.db2.gz UUDBNBBESGJDMR-OAHLLOKOSA-N 1 2 295.342 1.465 20 30 CDEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCOC[C@H]1CC)C(C)C ZINC000875594004 814704750 /nfs/dbraw/zinc/70/47/50/814704750.db2.gz LITKPISWYBDNIJ-ZIAGYGMSSA-N 1 2 281.400 1.054 20 30 CDEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1CC)C(C)C ZINC000875594004 814704758 /nfs/dbraw/zinc/70/47/58/814704758.db2.gz LITKPISWYBDNIJ-ZIAGYGMSSA-N 1 2 281.400 1.054 20 30 CDEDLO C#CCC[C@@H](O)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000798419202 814731344 /nfs/dbraw/zinc/73/13/44/814731344.db2.gz CWMWFBYIJBYWMM-GFCCVEGCSA-N 1 2 260.341 1.263 20 30 CDEDLO C#CCC[C@@H](O)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000798419202 814731361 /nfs/dbraw/zinc/73/13/61/814731361.db2.gz CWMWFBYIJBYWMM-GFCCVEGCSA-N 1 2 260.341 1.263 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)C23CCC(CC2)C3)C1 ZINC001043101891 814753189 /nfs/dbraw/zinc/75/31/89/814753189.db2.gz RSODTXDGTNLUNU-UHFFFAOYSA-N 1 2 260.381 1.733 20 30 CDEDLO C=CCOCC(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC000842891858 814754563 /nfs/dbraw/zinc/75/45/63/814754563.db2.gz XEDFKPRFGKPEOU-UHFFFAOYSA-N 1 2 262.309 1.264 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn3ccncc23)C1 ZINC001042937093 814765159 /nfs/dbraw/zinc/76/51/59/814765159.db2.gz UUZHXMDJWDCIFZ-UHFFFAOYSA-N 1 2 285.351 1.062 20 30 CDEDLO Cc1noc(C)c1C[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000072514051 816752031 /nfs/dbraw/zinc/75/20/31/816752031.db2.gz DRBHWQQTWAJVON-NSHDSACASA-N 1 2 278.356 1.484 20 30 CDEDLO Cc1noc(C)c1C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000072514051 816752038 /nfs/dbraw/zinc/75/20/38/816752038.db2.gz DRBHWQQTWAJVON-NSHDSACASA-N 1 2 278.356 1.484 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc[nH]c1C)CO2 ZINC001053768962 816776191 /nfs/dbraw/zinc/77/61/91/816776191.db2.gz NVTMYGMWENVVAX-CYBMUJFWSA-N 1 2 289.379 1.472 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cc1F ZINC001032762028 816818258 /nfs/dbraw/zinc/81/82/58/816818258.db2.gz UBZJBGSCCBBNTI-STQMWFEESA-N 1 2 290.313 1.887 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cc1F ZINC001032762028 816818261 /nfs/dbraw/zinc/81/82/61/816818261.db2.gz UBZJBGSCCBBNTI-STQMWFEESA-N 1 2 290.313 1.887 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001010397837 816822494 /nfs/dbraw/zinc/82/24/94/816822494.db2.gz QERYSTDYNWZKDE-GFCCVEGCSA-N 1 2 262.357 1.407 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001010397837 816822495 /nfs/dbraw/zinc/82/24/95/816822495.db2.gz QERYSTDYNWZKDE-GFCCVEGCSA-N 1 2 262.357 1.407 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ncc[nH]1 ZINC001024433195 816827680 /nfs/dbraw/zinc/82/76/80/816827680.db2.gz AZPUGSMRVNXNKK-NSHDSACASA-N 1 2 282.775 1.747 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ncc[nH]1 ZINC001024433195 816827682 /nfs/dbraw/zinc/82/76/82/816827682.db2.gz AZPUGSMRVNXNKK-NSHDSACASA-N 1 2 282.775 1.747 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c(C)nc1C ZINC001017962037 816842962 /nfs/dbraw/zinc/84/29/62/816842962.db2.gz VPIUXFSMDVDEEJ-OKILXGFUSA-N 1 2 286.379 1.339 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c(C)nc1C ZINC001017962037 816842965 /nfs/dbraw/zinc/84/29/65/816842965.db2.gz VPIUXFSMDVDEEJ-OKILXGFUSA-N 1 2 286.379 1.339 20 30 CDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc[nH]n2)CC1 ZINC001004354004 816852522 /nfs/dbraw/zinc/85/25/22/816852522.db2.gz AEKHAAYZPXIABO-CQSZACIVSA-N 1 2 287.367 1.250 20 30 CDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc[nH]n2)CC1 ZINC001004354004 816852523 /nfs/dbraw/zinc/85/25/23/816852523.db2.gz AEKHAAYZPXIABO-CQSZACIVSA-N 1 2 287.367 1.250 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC001006987301 816868277 /nfs/dbraw/zinc/86/82/77/816868277.db2.gz YBYVIKTUIFZEFO-STQMWFEESA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC001006987301 816868279 /nfs/dbraw/zinc/86/82/79/816868279.db2.gz YBYVIKTUIFZEFO-STQMWFEESA-N 1 2 286.803 1.746 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccns2)C1 ZINC001033124651 816871937 /nfs/dbraw/zinc/87/19/37/816871937.db2.gz BGCKZJOZFIWCHW-LLVKDONJSA-N 1 2 263.366 1.313 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccns2)C1 ZINC001033124651 816871940 /nfs/dbraw/zinc/87/19/40/816871940.db2.gz BGCKZJOZFIWCHW-LLVKDONJSA-N 1 2 263.366 1.313 20 30 CDEDLO C=C(C)C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(=O)OCC ZINC000881753901 816885736 /nfs/dbraw/zinc/88/57/36/816885736.db2.gz AZMRSWQPPVNLEQ-LBPRGKRZSA-N 1 2 279.340 1.356 20 30 CDEDLO C=C(C)C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C(=O)OCC ZINC000881753901 816885737 /nfs/dbraw/zinc/88/57/37/816885737.db2.gz AZMRSWQPPVNLEQ-LBPRGKRZSA-N 1 2 279.340 1.356 20 30 CDEDLO C[C@@H]1C[C@H](C)[N@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794635938 816891310 /nfs/dbraw/zinc/89/13/10/816891310.db2.gz YONIGAIGFTWAGY-ZJUUUORDSA-N 1 2 265.386 1.705 20 30 CDEDLO C[C@@H]1C[C@H](C)[N@@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794635938 816891312 /nfs/dbraw/zinc/89/13/12/816891312.db2.gz YONIGAIGFTWAGY-ZJUUUORDSA-N 1 2 265.386 1.705 20 30 CDEDLO CC[NH+]1CCN(C(=O)[C@@H](C)SCCO[C@H](C)C#N)CC1 ZINC000808367806 816898845 /nfs/dbraw/zinc/89/88/45/816898845.db2.gz MMLIZPPSHDBROE-CHWSQXEVSA-N 1 2 299.440 1.201 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2Oc3ccccc3[C@@H]2C)C1 ZINC001044371717 816921374 /nfs/dbraw/zinc/92/13/74/816921374.db2.gz JHOQSXNBIOOHPT-SUMWQHHRSA-N 1 2 298.386 1.717 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2C)C1 ZINC001015458012 816948261 /nfs/dbraw/zinc/94/82/61/816948261.db2.gz FCVWPARSTOINFT-JTQLQIEISA-N 1 2 268.748 1.275 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2C)C1 ZINC001015458012 816948267 /nfs/dbraw/zinc/94/82/67/816948267.db2.gz FCVWPARSTOINFT-JTQLQIEISA-N 1 2 268.748 1.275 20 30 CDEDLO Cn1nc(Br)cc1C[NH2+]CC1(C#N)CC1 ZINC000379977967 816995262 /nfs/dbraw/zinc/99/52/62/816995262.db2.gz FSDZDXVESASBRX-UHFFFAOYSA-N 1 2 269.146 1.576 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3nccs3)C[C@H]21 ZINC001075620985 817063358 /nfs/dbraw/zinc/06/33/58/817063358.db2.gz KRWQGKQFJRNWCA-SDDRHHMPSA-N 1 2 290.392 1.335 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3nccs3)C[C@H]21 ZINC001075620985 817063363 /nfs/dbraw/zinc/06/33/63/817063363.db2.gz KRWQGKQFJRNWCA-SDDRHHMPSA-N 1 2 290.392 1.335 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C2(c3ccccc3F)CC2)C1 ZINC001031191339 817068264 /nfs/dbraw/zinc/06/82/64/817068264.db2.gz IGXHSHLZNWQHHP-UHFFFAOYSA-N 1 2 286.350 1.681 20 30 CDEDLO CC[C@@H](F)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004519154 817105878 /nfs/dbraw/zinc/10/58/78/817105878.db2.gz YZFYMXSELFNWKX-KGLIPLIRSA-N 1 2 281.375 1.961 20 30 CDEDLO CC[C@@H](F)C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004519154 817105884 /nfs/dbraw/zinc/10/58/84/817105884.db2.gz YZFYMXSELFNWKX-KGLIPLIRSA-N 1 2 281.375 1.961 20 30 CDEDLO C[C@@H](C#N)C[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000809639085 817159689 /nfs/dbraw/zinc/15/96/89/817159689.db2.gz GQUBQNOJQBLNSI-QMMMGPOBSA-N 1 2 253.327 1.438 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C(F)F)ncn2)C1 ZINC001043080408 817176556 /nfs/dbraw/zinc/17/65/56/817176556.db2.gz YZCVSYNZMJDIBC-UHFFFAOYSA-N 1 2 294.305 1.194 20 30 CDEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001014732681 817182473 /nfs/dbraw/zinc/18/24/73/817182473.db2.gz WRTGYQVQWBEUJT-GFCCVEGCSA-N 1 2 265.332 1.448 20 30 CDEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001014732681 817182459 /nfs/dbraw/zinc/18/24/59/817182459.db2.gz WRTGYQVQWBEUJT-GFCCVEGCSA-N 1 2 265.332 1.448 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cn(CC)cn2)C1 ZINC001046776172 817253166 /nfs/dbraw/zinc/25/31/66/817253166.db2.gz BFLHWRZWBHMFOX-CQSZACIVSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cn(CC)cn2)C1 ZINC001046776172 817253180 /nfs/dbraw/zinc/25/31/80/817253180.db2.gz BFLHWRZWBHMFOX-CQSZACIVSA-N 1 2 296.802 1.850 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1cc(C)ccc1C ZINC001032780297 817265454 /nfs/dbraw/zinc/26/54/54/817265454.db2.gz DIGXIKGECAYCAH-HOTGVXAUSA-N 1 2 298.386 1.601 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1cc(C)ccc1C ZINC001032780297 817265466 /nfs/dbraw/zinc/26/54/66/817265466.db2.gz DIGXIKGECAYCAH-HOTGVXAUSA-N 1 2 298.386 1.601 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2nn(C)c3ccccc32)C1 ZINC001044207134 817293028 /nfs/dbraw/zinc/29/30/28/817293028.db2.gz FLAXVIRWGPKACQ-UHFFFAOYSA-N 1 2 298.390 1.906 20 30 CDEDLO C#CC1(F)CN(C(=O)NCc2c[nH+]c(C)cc2C)C1 ZINC000883734183 817325493 /nfs/dbraw/zinc/32/54/93/817325493.db2.gz QRYOPLUVYDHWIL-UHFFFAOYSA-N 1 2 261.300 1.565 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586386 817355839 /nfs/dbraw/zinc/35/58/39/817355839.db2.gz OAKMSJGQVJRQJS-GXFFZTMASA-N 1 2 263.297 1.862 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586386 817355847 /nfs/dbraw/zinc/35/58/47/817355847.db2.gz OAKMSJGQVJRQJS-GXFFZTMASA-N 1 2 263.297 1.862 20 30 CDEDLO C#CC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC000882533315 817394197 /nfs/dbraw/zinc/39/41/97/817394197.db2.gz SOHRKUBJKBCYLY-LBPRGKRZSA-N 1 2 257.337 1.508 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc(C)cn2)C1 ZINC001032937416 817397450 /nfs/dbraw/zinc/39/74/50/817397450.db2.gz HCGKTTKGKCFEIG-CYBMUJFWSA-N 1 2 296.802 1.477 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc(C)cn2)C1 ZINC001032937416 817397452 /nfs/dbraw/zinc/39/74/52/817397452.db2.gz HCGKTTKGKCFEIG-CYBMUJFWSA-N 1 2 296.802 1.477 20 30 CDEDLO C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]nnc2c1 ZINC001039013295 817571480 /nfs/dbraw/zinc/57/14/80/817571480.db2.gz RGUYYDCFMZUJRE-ZDUSSCGKSA-N 1 2 299.378 1.728 20 30 CDEDLO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]nnc2c1 ZINC001039013295 817571493 /nfs/dbraw/zinc/57/14/93/817571493.db2.gz RGUYYDCFMZUJRE-ZDUSSCGKSA-N 1 2 299.378 1.728 20 30 CDEDLO Cc1ccc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c(C#N)n1 ZINC000881924489 817656919 /nfs/dbraw/zinc/65/69/19/817656919.db2.gz VKQSYQIKDTVFSU-QWHCGFSZSA-N 1 2 274.368 1.783 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(F)c2)C1 ZINC001035277793 817706984 /nfs/dbraw/zinc/70/69/84/817706984.db2.gz PHKRJJQJESJEMR-HNNXBMFYSA-N 1 2 292.354 1.832 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(F)c2)C1 ZINC001035277793 817706996 /nfs/dbraw/zinc/70/69/96/817706996.db2.gz PHKRJJQJESJEMR-HNNXBMFYSA-N 1 2 292.354 1.832 20 30 CDEDLO C[C@H]([NH2+][C@H]1CCN(C(=O)C#CC2CC2)C1)c1csnn1 ZINC001018826610 817737721 /nfs/dbraw/zinc/73/77/21/817737721.db2.gz IFNOHDDKQDATQA-JQWIXIFHSA-N 1 2 290.392 1.203 20 30 CDEDLO COc1ccc(O)c(/C=N/[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000048501866 817752609 /nfs/dbraw/zinc/75/26/09/817752609.db2.gz QOTNBIPBPZKWEV-SEJMYLSOSA-N 1 2 278.352 1.540 20 30 CDEDLO C=C(C)CC[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073019006 817807396 /nfs/dbraw/zinc/80/73/96/817807396.db2.gz QSUVCCXEHISNJU-UHFFFAOYSA-N 1 2 288.395 1.453 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1csc(C(C)C)n1 ZINC001038815912 817818121 /nfs/dbraw/zinc/81/81/21/817818121.db2.gz NFZFLSOQKSWQBU-LLVKDONJSA-N 1 2 277.393 1.704 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1csc(C(C)C)n1 ZINC001038815912 817818124 /nfs/dbraw/zinc/81/81/24/817818124.db2.gz NFZFLSOQKSWQBU-LLVKDONJSA-N 1 2 277.393 1.704 20 30 CDEDLO N#CCC[NH2+]Cc1ccccc1OCC(=O)N1CCCC1 ZINC000345299270 817840973 /nfs/dbraw/zinc/84/09/73/817840973.db2.gz HZJSVCJYWWIWJD-UHFFFAOYSA-N 1 2 287.363 1.691 20 30 CDEDLO C#CC[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000780319998 817855864 /nfs/dbraw/zinc/85/58/64/817855864.db2.gz RVRLPFQSWRPGJU-HNNXBMFYSA-N 1 2 257.312 1.641 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1cccnc1)C(C)C ZINC001032700153 817861813 /nfs/dbraw/zinc/86/18/13/817861813.db2.gz JEMZKWDRTPUPKQ-ULQDDVLXSA-N 1 2 297.402 1.740 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1cccnc1)C(C)C ZINC001032700153 817861814 /nfs/dbraw/zinc/86/18/14/817861814.db2.gz JEMZKWDRTPUPKQ-ULQDDVLXSA-N 1 2 297.402 1.740 20 30 CDEDLO CC[C@@H](C#N)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000845270514 817867895 /nfs/dbraw/zinc/86/78/95/817867895.db2.gz UWSWOKWMMABMDL-NWDGAFQWSA-N 1 2 262.357 1.964 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3nc(C)oc3c2)C1 ZINC001042989856 817874398 /nfs/dbraw/zinc/87/43/98/817874398.db2.gz UDDHQMYGUJRKOJ-UHFFFAOYSA-N 1 2 297.358 1.916 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1-c1ccco1 ZINC001038257325 817955058 /nfs/dbraw/zinc/95/50/58/817955058.db2.gz ZYPYHKJSOFAUAD-GFCCVEGCSA-N 1 2 298.346 1.117 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1-c1ccco1 ZINC001038257325 817955107 /nfs/dbraw/zinc/95/51/07/817955107.db2.gz ZYPYHKJSOFAUAD-GFCCVEGCSA-N 1 2 298.346 1.117 20 30 CDEDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140813023 1167057261 /nfs/dbraw/zinc/05/72/61/1167057261.db2.gz SUXAAFGAFDTYOC-CYBMUJFWSA-N 1 2 277.755 1.922 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnn(-c3ccccc3)c2)C1 ZINC001030633427 912250231 /nfs/dbraw/zinc/25/02/31/912250231.db2.gz SBVFCTTXTOWYKJ-UHFFFAOYSA-N 1 2 294.358 1.310 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@H]1CCc2cc(F)ccc2C1 ZINC001168425195 912551517 /nfs/dbraw/zinc/55/15/17/912551517.db2.gz COLWEMOJPXAMMA-LSDHHAIUSA-N 1 2 259.328 1.480 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2COc3cc(C)c(C)cc32)C1 ZINC001030743169 912668412 /nfs/dbraw/zinc/66/84/12/912668412.db2.gz CXYLKWNYUOYODA-INIZCTEOSA-N 1 2 298.386 1.603 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ncccc2F)C1 ZINC001030845484 912886734 /nfs/dbraw/zinc/88/67/34/912886734.db2.gz IBWFDXSJTKELDZ-UHFFFAOYSA-N 1 2 263.316 1.140 20 30 CDEDLO Cn1cc(C[N@@H+]2CC[C@](N)(C(F)(F)F)C2)cc1C#N ZINC001206220685 912982505 /nfs/dbraw/zinc/98/25/05/912982505.db2.gz CAOUOFFGHUOLRX-LLVKDONJSA-N 1 2 272.274 1.362 20 30 CDEDLO Cn1cc(C[N@H+]2CC[C@](N)(C(F)(F)F)C2)cc1C#N ZINC001206220685 912982520 /nfs/dbraw/zinc/98/25/20/912982520.db2.gz CAOUOFFGHUOLRX-LLVKDONJSA-N 1 2 272.274 1.362 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@](N)(C(F)(F)F)C2)c(O)c1 ZINC001206244454 913508737 /nfs/dbraw/zinc/50/87/37/913508737.db2.gz KDJPUTYXIQSTKL-GFCCVEGCSA-N 1 2 285.269 1.729 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@](N)(C(F)(F)F)C2)c(O)c1 ZINC001206244454 913508745 /nfs/dbraw/zinc/50/87/45/913508745.db2.gz KDJPUTYXIQSTKL-GFCCVEGCSA-N 1 2 285.269 1.729 20 30 CDEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)COC)C1 ZINC000970914842 895501325 /nfs/dbraw/zinc/50/13/25/895501325.db2.gz CUTBDNGRZOYIJQ-SNVBAGLBSA-N 1 2 291.189 1.074 20 30 CDEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)COC)C1 ZINC000970914842 895501330 /nfs/dbraw/zinc/50/13/30/895501330.db2.gz CUTBDNGRZOYIJQ-SNVBAGLBSA-N 1 2 291.189 1.074 20 30 CDEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2cn(C)nc2C)CC1 ZINC001204583028 896703529 /nfs/dbraw/zinc/70/35/29/896703529.db2.gz WJCQCHBOEIAWBB-UHFFFAOYSA-N 1 2 290.367 1.397 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2scnc2C)CC1 ZINC000588521937 896873623 /nfs/dbraw/zinc/87/36/23/896873623.db2.gz KMLPWLQPTPZUMN-PLNGDYQASA-N 1 2 275.377 1.242 20 30 CDEDLO C=C(C)C(=O)NCCCNc1cc(N(C)CC)nc[nH+]1 ZINC001167666563 897310472 /nfs/dbraw/zinc/31/04/72/897310472.db2.gz SCFVGZBUQYUPLL-UHFFFAOYSA-N 1 2 277.372 1.427 20 30 CDEDLO C=C(C)C(=O)NCCCNc1cc(N(C)CC)[nH+]cn1 ZINC001167666563 897310486 /nfs/dbraw/zinc/31/04/86/897310486.db2.gz SCFVGZBUQYUPLL-UHFFFAOYSA-N 1 2 277.372 1.427 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1c(C)cnn1C ZINC001480993834 898444843 /nfs/dbraw/zinc/44/48/43/898444843.db2.gz NZUVYEDRGMBHNC-UHFFFAOYSA-N 1 2 284.791 1.533 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1c(C)cnn1C ZINC001480993834 898444847 /nfs/dbraw/zinc/44/48/47/898444847.db2.gz NZUVYEDRGMBHNC-UHFFFAOYSA-N 1 2 284.791 1.533 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccns2)[C@H]1C ZINC000993375003 914283105 /nfs/dbraw/zinc/28/31/05/914283105.db2.gz GUUATHBFLXNFAY-MNOVXSKESA-N 1 2 263.366 1.359 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccns2)[C@H]1C ZINC000993375003 914283121 /nfs/dbraw/zinc/28/31/21/914283121.db2.gz GUUATHBFLXNFAY-MNOVXSKESA-N 1 2 263.366 1.359 20 30 CDEDLO N#Cc1ccccc1OCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001176836969 914303534 /nfs/dbraw/zinc/30/35/34/914303534.db2.gz UCPJYGNMHIXDSJ-UHFFFAOYSA-N 1 2 284.319 1.409 20 30 CDEDLO C#CCCCC(=O)NCC[NH2+]Cc1nc(C(C)C)ns1 ZINC001126344133 901959540 /nfs/dbraw/zinc/95/95/40/901959540.db2.gz ODLIQMXMXMXFLT-UHFFFAOYSA-N 1 2 294.424 1.671 20 30 CDEDLO CN(CC(=O)NCc1ccc(C#N)c(F)c1)c1cccc[nH+]1 ZINC001177416407 914672398 /nfs/dbraw/zinc/67/23/98/914672398.db2.gz AURWGCVEIWWRJH-UHFFFAOYSA-N 1 2 298.321 1.845 20 30 CDEDLO C=CCS(=O)(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000711161494 903766808 /nfs/dbraw/zinc/76/68/08/903766808.db2.gz ARZNSOSLLCZWGW-UHFFFAOYSA-N 1 2 281.381 1.156 20 30 CDEDLO Cc1ccc(C#N)c(O[C@H](C)C[NH+]2CCOCC2)c1 ZINC001226754131 905572856 /nfs/dbraw/zinc/57/28/56/905572856.db2.gz MXMRSLAJNPEAFG-CYBMUJFWSA-N 1 2 260.337 1.966 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2n[nH]c3ccccc32)[C@H]1CC ZINC001087816819 905871843 /nfs/dbraw/zinc/87/18/43/905871843.db2.gz IYUMQXOVIZMTMJ-LSDHHAIUSA-N 1 2 296.374 1.779 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2n[nH]c3ccccc32)[C@H]1CC ZINC001087816819 905871852 /nfs/dbraw/zinc/87/18/52/905871852.db2.gz IYUMQXOVIZMTMJ-LSDHHAIUSA-N 1 2 296.374 1.779 20 30 CDEDLO CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001088436522 907197729 /nfs/dbraw/zinc/19/77/29/907197729.db2.gz RGYURXNXJOKGSE-BMIGLBTASA-N 1 2 275.327 1.796 20 30 CDEDLO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001088436522 907197733 /nfs/dbraw/zinc/19/77/33/907197733.db2.gz RGYURXNXJOKGSE-BMIGLBTASA-N 1 2 275.327 1.796 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccco2)[C@@H](O)C1 ZINC001090021635 921364555 /nfs/dbraw/zinc/36/45/55/921364555.db2.gz WOFNJCIQMUFWIU-MNOVXSKESA-N 1 2 284.743 1.197 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccco2)[C@@H](O)C1 ZINC001090021635 921364568 /nfs/dbraw/zinc/36/45/68/921364568.db2.gz WOFNJCIQMUFWIU-MNOVXSKESA-N 1 2 284.743 1.197 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C)on2)C1 ZINC001189281082 921397738 /nfs/dbraw/zinc/39/77/38/921397738.db2.gz XSMUEPSKFYXPFL-CQSZACIVSA-N 1 2 277.368 1.982 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C)on2)C1 ZINC001189281082 921397750 /nfs/dbraw/zinc/39/77/50/921397750.db2.gz XSMUEPSKFYXPFL-CQSZACIVSA-N 1 2 277.368 1.982 20 30 CDEDLO CC#CCCCC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]21 ZINC001093336740 909755521 /nfs/dbraw/zinc/75/55/21/909755521.db2.gz PBWBZCWQBNZIPD-HALDLXJZSA-N 1 2 298.390 1.529 20 30 CDEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C3CC3)CC2)C1 ZINC001093495571 909828473 /nfs/dbraw/zinc/82/84/73/909828473.db2.gz FWXUHTOJFSJBTK-UHFFFAOYSA-N 1 2 278.396 1.664 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CC3(C)C)CC2)C1 ZINC001093526951 909905844 /nfs/dbraw/zinc/90/58/44/909905844.db2.gz HQJKQAHXUPCEEC-HNNXBMFYSA-N 1 2 292.423 1.910 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc(C)cn1 ZINC001409525787 910481761 /nfs/dbraw/zinc/48/17/61/910481761.db2.gz LFUXBARUQACNRJ-LBPRGKRZSA-N 1 2 284.791 1.381 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cn1cc(C)cn1 ZINC001409525787 910481767 /nfs/dbraw/zinc/48/17/67/910481767.db2.gz LFUXBARUQACNRJ-LBPRGKRZSA-N 1 2 284.791 1.381 20 30 CDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cnc[nH]1 ZINC001273022960 921604399 /nfs/dbraw/zinc/60/43/99/921604399.db2.gz AWAHVGDCWBJCCA-HNNXBMFYSA-N 1 2 274.368 1.553 20 30 CDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cnc[nH]1 ZINC001273022960 921604404 /nfs/dbraw/zinc/60/44/04/921604404.db2.gz AWAHVGDCWBJCCA-HNNXBMFYSA-N 1 2 274.368 1.553 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cncc(C)n2)C1 ZINC001203180706 910830017 /nfs/dbraw/zinc/83/00/17/910830017.db2.gz ZBPMCXJKEKWKOM-ZDUSSCGKSA-N 1 2 290.367 1.662 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cncc(C)n2)C1 ZINC001203180706 910830023 /nfs/dbraw/zinc/83/00/23/910830023.db2.gz ZBPMCXJKEKWKOM-ZDUSSCGKSA-N 1 2 290.367 1.662 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCCO[C@@H]2CC)C1 ZINC001030419925 911798274 /nfs/dbraw/zinc/79/82/74/911798274.db2.gz CSMFJSDHYSOOMQ-ZIAGYGMSSA-N 1 2 266.385 1.568 20 30 CDEDLO C[C@H](C(=O)N[C@@H](C#N)c1ccccc1)n1cc[nH+]c1 ZINC001177918442 915030555 /nfs/dbraw/zinc/03/05/55/915030555.db2.gz YGUFFDNBOYSHMY-YPMHNXCESA-N 1 2 254.293 1.825 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)CCc1[nH]cc[nH+]1 ZINC001177996968 915082351 /nfs/dbraw/zinc/08/23/51/915082351.db2.gz RXQIYFZFNIWRRT-UHFFFAOYSA-N 1 2 270.292 1.861 20 30 CDEDLO O=C(C#Cc1ccc(F)cc1F)NCCn1cc[nH+]c1 ZINC001178565516 915519265 /nfs/dbraw/zinc/51/92/65/915519265.db2.gz RUWUWKSPPSEOEA-UHFFFAOYSA-N 1 2 275.258 1.329 20 30 CDEDLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C#N)cc1O ZINC001178695942 915580505 /nfs/dbraw/zinc/58/05/05/915580505.db2.gz AFWNNZONWRAMTC-GFCCVEGCSA-N 1 2 259.309 1.687 20 30 CDEDLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C#N)cc1O ZINC001178695942 915580513 /nfs/dbraw/zinc/58/05/13/915580513.db2.gz AFWNNZONWRAMTC-GFCCVEGCSA-N 1 2 259.309 1.687 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2=NO[C@H](c3ccccc3)C2)CC1 ZINC001178801327 915628550 /nfs/dbraw/zinc/62/85/50/915628550.db2.gz BDWDYSRPMAWBRO-INIZCTEOSA-N 1 2 299.374 1.834 20 30 CDEDLO COc1ccc(C[NH+]2CCN(CCC#N)CC2)nc1C ZINC001249909970 915695095 /nfs/dbraw/zinc/69/50/95/915695095.db2.gz YKQWPDVJRHJDDB-UHFFFAOYSA-N 1 2 274.368 1.430 20 30 CDEDLO CC#CC(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001179751852 915969406 /nfs/dbraw/zinc/96/94/06/915969406.db2.gz MKGGBODZIQWOPF-NSHDSACASA-N 1 2 256.296 1.342 20 30 CDEDLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)[C@@H](C)C#N ZINC001179890006 916024041 /nfs/dbraw/zinc/02/40/41/916024041.db2.gz RFOJWOYYXBBMMV-JTQLQIEISA-N 1 2 299.334 1.936 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001179895636 916032987 /nfs/dbraw/zinc/03/29/87/916032987.db2.gz LTEJXGSJIVXHBL-QWRGUYRKSA-N 1 2 271.311 1.478 20 30 CDEDLO C=CCSCC(=O)NCc1c[nH+]cn1CCOC ZINC001180561045 916467078 /nfs/dbraw/zinc/46/70/78/916467078.db2.gz QPXQFBGXDQZTRJ-UHFFFAOYSA-N 1 2 269.370 1.065 20 30 CDEDLO C=C[C@H](O)CNc1cc(N2CCOCC2)cc(Cl)[nH+]1 ZINC001253573023 935205636 /nfs/dbraw/zinc/20/56/36/935205636.db2.gz FGRHRHVTJGAXFU-NSHDSACASA-N 1 2 283.759 1.530 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001097794128 936380353 /nfs/dbraw/zinc/38/03/53/936380353.db2.gz KAXUJJAZHLKRJM-IINYFYTJSA-N 1 2 278.356 1.029 20 30 CDEDLO N#C[C@H](NC(=O)Cc1cc[nH+]c(N)c1)c1ccccc1 ZINC001181230326 916936930 /nfs/dbraw/zinc/93/69/30/916936930.db2.gz OPNTUKLUXLLRKL-ZDUSSCGKSA-N 1 2 266.304 1.587 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1OCC[C@H]1C)C2 ZINC001097867750 936399469 /nfs/dbraw/zinc/39/94/69/936399469.db2.gz KFLSRPGNHWQGAN-KVRLPLMBSA-N 1 2 298.814 1.885 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1OCC[C@H]1C)C2 ZINC001097867750 936399472 /nfs/dbraw/zinc/39/94/72/936399472.db2.gz KFLSRPGNHWQGAN-KVRLPLMBSA-N 1 2 298.814 1.885 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@]13C[C@H]1CCC3)CO2 ZINC001053874262 936422097 /nfs/dbraw/zinc/42/20/97/936422097.db2.gz BPJDAJWMSOZPBO-CKEIUWERSA-N 1 2 290.407 1.712 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)Nc1ccc(C#N)nc1 ZINC001097975480 936485282 /nfs/dbraw/zinc/48/52/82/936485282.db2.gz SXPTWRUQROIOAY-JTQLQIEISA-N 1 2 298.350 1.144 20 30 CDEDLO C=CCC[C@H](C)[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127730978 918240641 /nfs/dbraw/zinc/24/06/41/918240641.db2.gz BVYVLKSREIJLDL-IUCAKERBSA-N 1 2 270.270 1.947 20 30 CDEDLO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H](F)C(F)(F)F ZINC001127730978 918240653 /nfs/dbraw/zinc/24/06/53/918240653.db2.gz BVYVLKSREIJLDL-IUCAKERBSA-N 1 2 270.270 1.947 20 30 CDEDLO C=CCCC[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127737640 918274827 /nfs/dbraw/zinc/27/48/27/918274827.db2.gz RYLIFCMLHHCIQM-QMMMGPOBSA-N 1 2 256.243 1.559 20 30 CDEDLO C=CCCC[NH2+]CCNC(=O)[C@H](F)C(F)(F)F ZINC001127737640 918274842 /nfs/dbraw/zinc/27/48/42/918274842.db2.gz RYLIFCMLHHCIQM-QMMMGPOBSA-N 1 2 256.243 1.559 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CC)C1 ZINC001107752016 918733299 /nfs/dbraw/zinc/73/32/99/918733299.db2.gz NJLYCHWGRKTPRF-GXTWGEPZSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CC)C1 ZINC001107752016 918733317 /nfs/dbraw/zinc/73/33/17/918733317.db2.gz NJLYCHWGRKTPRF-GXTWGEPZSA-N 1 2 254.374 1.426 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCCOC)C1 ZINC001107798706 918798839 /nfs/dbraw/zinc/79/88/39/918798839.db2.gz SVJVZUSYEXILPW-INIZCTEOSA-N 1 2 296.411 1.034 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCCOC)C1 ZINC001107798706 918798849 /nfs/dbraw/zinc/79/88/49/918798849.db2.gz SVJVZUSYEXILPW-INIZCTEOSA-N 1 2 296.411 1.034 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)CCC)C1 ZINC001107822587 918831027 /nfs/dbraw/zinc/83/10/27/918831027.db2.gz AHCRCOLAPJFWHT-ZFWWWQNUSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)CCC)C1 ZINC001107822587 918831035 /nfs/dbraw/zinc/83/10/35/918831035.db2.gz AHCRCOLAPJFWHT-ZFWWWQNUSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)SC)C1 ZINC001107872831 918948851 /nfs/dbraw/zinc/94/88/51/918948851.db2.gz UDCKVTXJQZRVCE-OCCSQVGLSA-N 1 2 286.441 1.521 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)SC)C1 ZINC001107872831 918948863 /nfs/dbraw/zinc/94/88/63/918948863.db2.gz UDCKVTXJQZRVCE-OCCSQVGLSA-N 1 2 286.441 1.521 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001107874535 918956363 /nfs/dbraw/zinc/95/63/63/918956363.db2.gz PBMUTPCIOGJCOV-WFASDCNBSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001107874535 918956377 /nfs/dbraw/zinc/95/63/77/918956377.db2.gz PBMUTPCIOGJCOV-WFASDCNBSA-N 1 2 266.385 1.426 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CC(=O)N3CCC[C@H]3C2)cc1 ZINC001138557898 936546244 /nfs/dbraw/zinc/54/62/44/936546244.db2.gz VGBWTARKWVQBEU-HNNXBMFYSA-N 1 2 284.359 1.505 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CC(=O)N3CCC[C@H]3C2)cc1 ZINC001138557898 936546246 /nfs/dbraw/zinc/54/62/46/936546246.db2.gz VGBWTARKWVQBEU-HNNXBMFYSA-N 1 2 284.359 1.505 20 30 CDEDLO CC[C@H](CC#N)[NH+]1CCC(NC(=O)C(F)(F)F)CC1 ZINC001255173603 936564036 /nfs/dbraw/zinc/56/40/36/936564036.db2.gz MPPAKKOPWRTGJT-SNVBAGLBSA-N 1 2 277.290 1.822 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnc3ccc(Cl)nn23)CC1 ZINC001142997037 919261088 /nfs/dbraw/zinc/26/10/88/919261088.db2.gz LXKPRHWRSHRHJJ-UHFFFAOYSA-N 1 2 289.770 1.134 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCCCO1 ZINC001032658020 919689003 /nfs/dbraw/zinc/68/90/03/919689003.db2.gz LZQWDXKZRRPYCB-KKUMJFAQSA-N 1 2 276.380 1.254 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCCCO1 ZINC001032658020 919689012 /nfs/dbraw/zinc/68/90/12/919689012.db2.gz LZQWDXKZRRPYCB-KKUMJFAQSA-N 1 2 276.380 1.254 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001110365892 919692707 /nfs/dbraw/zinc/69/27/07/919692707.db2.gz CIAZMBCJUZGADW-SYQHCUMBSA-N 1 2 284.375 1.659 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001110365892 919692717 /nfs/dbraw/zinc/69/27/17/919692717.db2.gz CIAZMBCJUZGADW-SYQHCUMBSA-N 1 2 284.375 1.659 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001078126951 920119122 /nfs/dbraw/zinc/11/91/22/920119122.db2.gz QVTNHKMWDZNBMU-ZIAGYGMSSA-N 1 2 298.342 1.231 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001078126951 920119130 /nfs/dbraw/zinc/11/91/30/920119130.db2.gz QVTNHKMWDZNBMU-ZIAGYGMSSA-N 1 2 298.342 1.231 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(COCC)CC2)C1 ZINC001108034184 920176500 /nfs/dbraw/zinc/17/65/00/920176500.db2.gz VBDMKOPKRKLXMS-OAHLLOKOSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2(COCC)CC2)C1 ZINC001108034184 920176512 /nfs/dbraw/zinc/17/65/12/920176512.db2.gz VBDMKOPKRKLXMS-OAHLLOKOSA-N 1 2 296.411 1.196 20 30 CDEDLO C#CCC1(C(=O)NC[C@H](C)Nc2cc[nH+]c(C)n2)CCC1 ZINC001098091478 936637545 /nfs/dbraw/zinc/63/75/45/936637545.db2.gz GIPCVQUNTSMFRR-LBPRGKRZSA-N 1 2 286.379 1.895 20 30 CDEDLO CCc1[nH]c(CNC(=O)c2ccc(C#N)cc2F)c[nH+]1 ZINC001413622047 936643810 /nfs/dbraw/zinc/64/38/10/936643810.db2.gz JUCGAPPQHNHAIF-UHFFFAOYSA-N 1 2 272.283 1.913 20 30 CDEDLO CCc1[nH]cc(CNC(=O)c2ccc(C#N)cc2F)[nH+]1 ZINC001413622047 936643811 /nfs/dbraw/zinc/64/38/11/936643811.db2.gz JUCGAPPQHNHAIF-UHFFFAOYSA-N 1 2 272.283 1.913 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001033433788 922208604 /nfs/dbraw/zinc/20/86/04/922208604.db2.gz XCXVOIZMWKSRHG-MJBXVCDLSA-N 1 2 298.814 1.863 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001033433788 922208619 /nfs/dbraw/zinc/20/86/19/922208619.db2.gz XCXVOIZMWKSRHG-MJBXVCDLSA-N 1 2 298.814 1.863 20 30 CDEDLO CCC[N@H+](CCC#N)Cc1c(O)c(C)ncc1CO ZINC001140868273 936767576 /nfs/dbraw/zinc/76/75/76/936767576.db2.gz HTQYOJDSCYPLCS-UHFFFAOYSA-N 1 2 263.341 1.714 20 30 CDEDLO CCC[N@@H+](CCC#N)Cc1c(O)c(C)ncc1CO ZINC001140868273 936767577 /nfs/dbraw/zinc/76/75/77/936767577.db2.gz HTQYOJDSCYPLCS-UHFFFAOYSA-N 1 2 263.341 1.714 20 30 CDEDLO CN(C(=O)CCNc1[nH+]cccc1CC#N)C1CC1 ZINC001162620905 922809065 /nfs/dbraw/zinc/80/90/65/922809065.db2.gz OZMIJFZHNVCRRR-UHFFFAOYSA-N 1 2 258.325 1.570 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccn2C)C1 ZINC001035293561 922951643 /nfs/dbraw/zinc/95/16/43/922951643.db2.gz DESIYSLSTPASLK-CYBMUJFWSA-N 1 2 277.368 1.032 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cccn2C)C1 ZINC001035293561 922951657 /nfs/dbraw/zinc/95/16/57/922951657.db2.gz DESIYSLSTPASLK-CYBMUJFWSA-N 1 2 277.368 1.032 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2=CCCC2)C1 ZINC001035334494 922968084 /nfs/dbraw/zinc/96/80/84/922968084.db2.gz KNEBNCASFLLAAG-AWEZNQCLSA-N 1 2 264.369 1.490 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C2=CCCC2)C1 ZINC001035334494 922968107 /nfs/dbraw/zinc/96/81/07/922968107.db2.gz KNEBNCASFLLAAG-AWEZNQCLSA-N 1 2 264.369 1.490 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(OC)cc2)C1 ZINC001035584183 923012530 /nfs/dbraw/zinc/01/25/30/923012530.db2.gz QBMNSFPBKYWKLJ-OAHLLOKOSA-N 1 2 290.363 1.312 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(OC)cc2)C1 ZINC001035584183 923012543 /nfs/dbraw/zinc/01/25/43/923012543.db2.gz QBMNSFPBKYWKLJ-OAHLLOKOSA-N 1 2 290.363 1.312 20 30 CDEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](CC(=C)Cl)C[C@H]1O ZINC001099807064 936811209 /nfs/dbraw/zinc/81/12/09/936811209.db2.gz KDLFXXURUTVVJK-QWHCGFSZSA-N 1 2 284.787 1.094 20 30 CDEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](CC(=C)Cl)C[C@H]1O ZINC001099807064 936811212 /nfs/dbraw/zinc/81/12/12/936811212.db2.gz KDLFXXURUTVVJK-QWHCGFSZSA-N 1 2 284.787 1.094 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)/C=C(/C)CC)[C@H](O)C1 ZINC001099817929 936811900 /nfs/dbraw/zinc/81/19/00/936811900.db2.gz HLYXGFSHSHXDCJ-HKSBAFMPSA-N 1 2 286.803 1.647 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)/C=C(/C)CC)[C@H](O)C1 ZINC001099817929 936811902 /nfs/dbraw/zinc/81/19/02/936811902.db2.gz HLYXGFSHSHXDCJ-HKSBAFMPSA-N 1 2 286.803 1.647 20 30 CDEDLO N#CCc1ccc(Cl)cc1-n1[nH]c(=O)nc1C[NH3+] ZINC001168762149 923414454 /nfs/dbraw/zinc/41/44/54/923414454.db2.gz FPODBBYSMPVVRW-UHFFFAOYSA-N 1 2 263.688 1.151 20 30 CDEDLO C#CCCCC(=O)N1CCC[N@@H+](Cc2cc(C)no2)CC1 ZINC001195645019 924677502 /nfs/dbraw/zinc/67/75/02/924677502.db2.gz GHTPTXBENPPMKA-UHFFFAOYSA-N 1 2 289.379 1.821 20 30 CDEDLO C#CCCCC(=O)N1CCC[N@H+](Cc2cc(C)no2)CC1 ZINC001195645019 924677505 /nfs/dbraw/zinc/67/75/05/924677505.db2.gz GHTPTXBENPPMKA-UHFFFAOYSA-N 1 2 289.379 1.821 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001195726584 924694328 /nfs/dbraw/zinc/69/43/28/924694328.db2.gz YWRPEKWAJLAQQY-ONYUAGEFSA-N 1 2 272.776 1.257 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001195726584 924694332 /nfs/dbraw/zinc/69/43/32/924694332.db2.gz YWRPEKWAJLAQQY-ONYUAGEFSA-N 1 2 272.776 1.257 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(C)o2)[C@H](OC)C1 ZINC001081540951 924769308 /nfs/dbraw/zinc/76/93/08/924769308.db2.gz YIORRUBDAZWRJJ-UKRRQHHQSA-N 1 2 290.363 1.349 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)c(C)o2)[C@H](OC)C1 ZINC001081540951 924769310 /nfs/dbraw/zinc/76/93/10/924769310.db2.gz YIORRUBDAZWRJJ-UKRRQHHQSA-N 1 2 290.363 1.349 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)s2)[C@H](OC)C1 ZINC001082394018 924913002 /nfs/dbraw/zinc/91/30/02/924913002.db2.gz PHIQCVSBLBAFLW-NXEZZACHSA-N 1 2 284.356 1.502 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(F)s2)[C@H](OC)C1 ZINC001082394018 924913010 /nfs/dbraw/zinc/91/30/10/924913010.db2.gz PHIQCVSBLBAFLW-NXEZZACHSA-N 1 2 284.356 1.502 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(C)c(CC)s2)[C@@H](O)C1 ZINC001084033506 925131298 /nfs/dbraw/zinc/13/12/98/925131298.db2.gz WFSVVRNLJGVNJL-NEPJUHHUSA-N 1 2 294.420 1.580 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(CC)s2)[C@@H](O)C1 ZINC001084033506 925131302 /nfs/dbraw/zinc/13/13/02/925131302.db2.gz WFSVVRNLJGVNJL-NEPJUHHUSA-N 1 2 294.420 1.580 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCOC3)[C@@H]2C1 ZINC001084219035 925192382 /nfs/dbraw/zinc/19/23/82/925192382.db2.gz NTSAAZQKNZISGE-FRRDWIJNSA-N 1 2 284.787 1.308 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCOC3)[C@@H]2C1 ZINC001084219035 925192389 /nfs/dbraw/zinc/19/23/89/925192389.db2.gz NTSAAZQKNZISGE-FRRDWIJNSA-N 1 2 284.787 1.308 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(C)c3)[C@@H]2C1 ZINC001084278090 925215700 /nfs/dbraw/zinc/21/57/00/925215700.db2.gz KNBNJTUNYMOCQQ-TZMCWYRMSA-N 1 2 293.798 1.924 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(C)c3)[C@@H]2C1 ZINC001084278090 925215707 /nfs/dbraw/zinc/21/57/07/925215707.db2.gz KNBNJTUNYMOCQQ-TZMCWYRMSA-N 1 2 293.798 1.924 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001084360760 925238229 /nfs/dbraw/zinc/23/82/29/925238229.db2.gz NLILKSMPDJGHMG-BBBLOLIVSA-N 1 2 280.265 1.606 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001084360760 925238232 /nfs/dbraw/zinc/23/82/32/925238232.db2.gz NLILKSMPDJGHMG-BBBLOLIVSA-N 1 2 280.265 1.606 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3onc(C)c3C)[C@@H]2C1 ZINC001084436461 925263872 /nfs/dbraw/zinc/26/38/72/925263872.db2.gz CPTJYSCXZGGLRG-CHWSQXEVSA-N 1 2 273.336 1.071 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3onc(C)c3C)[C@@H]2C1 ZINC001084436461 925263877 /nfs/dbraw/zinc/26/38/77/925263877.db2.gz CPTJYSCXZGGLRG-CHWSQXEVSA-N 1 2 273.336 1.071 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001084578103 925289583 /nfs/dbraw/zinc/28/95/83/925289583.db2.gz KGCIALPNRUEDTF-VXGBXAGGSA-N 1 2 254.349 1.701 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001084578103 925289592 /nfs/dbraw/zinc/28/95/92/925289592.db2.gz KGCIALPNRUEDTF-VXGBXAGGSA-N 1 2 254.349 1.701 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)nn2CC(C)C)CC1 ZINC001199089917 925607786 /nfs/dbraw/zinc/60/77/86/925607786.db2.gz LMCMUTNJRJUPDT-UHFFFAOYSA-N 1 2 290.411 1.791 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2conc2CC)C1 ZINC001108196376 925759824 /nfs/dbraw/zinc/75/98/24/925759824.db2.gz YOSXAPFDMNBSQR-OAHLLOKOSA-N 1 2 293.367 1.244 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2conc2CC)C1 ZINC001108196376 925759830 /nfs/dbraw/zinc/75/98/30/925759830.db2.gz YOSXAPFDMNBSQR-OAHLLOKOSA-N 1 2 293.367 1.244 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccn1 ZINC001085459086 926006719 /nfs/dbraw/zinc/00/67/19/926006719.db2.gz ZKJXTBCJEPPLLG-ZDUSSCGKSA-N 1 2 257.337 1.251 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccccn1 ZINC001085459086 926006728 /nfs/dbraw/zinc/00/67/28/926006728.db2.gz ZKJXTBCJEPPLLG-ZDUSSCGKSA-N 1 2 257.337 1.251 20 30 CDEDLO Cc1nc(N2CC[C@@H](CCNC(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001102301579 937051459 /nfs/dbraw/zinc/05/14/59/937051459.db2.gz FZHOKHLSILVXDJ-WCQYABFASA-N 1 2 287.367 1.277 20 30 CDEDLO CN(C[C@@H]1CC[N@@H+]1C/C=C\Cl)C(=O)c1ccc(C#N)[nH]1 ZINC001085543555 926133174 /nfs/dbraw/zinc/13/31/74/926133174.db2.gz ZXURIDJMRCJDCT-DWMUBGRBSA-N 1 2 292.770 1.785 20 30 CDEDLO CN(C[C@@H]1CC[N@H+]1C/C=C\Cl)C(=O)c1ccc(C#N)[nH]1 ZINC001085543555 926133176 /nfs/dbraw/zinc/13/31/76/926133176.db2.gz ZXURIDJMRCJDCT-DWMUBGRBSA-N 1 2 292.770 1.785 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]cc2ncnc1-2 ZINC001085608850 926210236 /nfs/dbraw/zinc/21/02/36/926210236.db2.gz BKEBHSNOHOFLSY-GFCCVEGCSA-N 1 2 297.362 1.128 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]cc2ncnc1-2 ZINC001085608850 926210238 /nfs/dbraw/zinc/21/02/38/926210238.db2.gz BKEBHSNOHOFLSY-GFCCVEGCSA-N 1 2 297.362 1.128 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cncc2nc[nH]c21 ZINC001085608850 926210242 /nfs/dbraw/zinc/21/02/42/926210242.db2.gz BKEBHSNOHOFLSY-GFCCVEGCSA-N 1 2 297.362 1.128 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cncc2nc[nH]c21 ZINC001085608850 926210248 /nfs/dbraw/zinc/21/02/48/926210248.db2.gz BKEBHSNOHOFLSY-GFCCVEGCSA-N 1 2 297.362 1.128 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(F)cccc1OC ZINC001085611151 926212712 /nfs/dbraw/zinc/21/27/12/926212712.db2.gz KHEOFSAMXTUGOK-LBPRGKRZSA-N 1 2 290.338 1.614 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(F)cccc1OC ZINC001085611151 926212720 /nfs/dbraw/zinc/21/27/20/926212720.db2.gz KHEOFSAMXTUGOK-LBPRGKRZSA-N 1 2 290.338 1.614 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccnn1CC(C)C ZINC001085622792 926221305 /nfs/dbraw/zinc/22/13/05/926221305.db2.gz DYCSQXPTBPUDHI-AWEZNQCLSA-N 1 2 288.395 1.319 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccnn1CC(C)C ZINC001085622792 926221312 /nfs/dbraw/zinc/22/13/12/926221312.db2.gz DYCSQXPTBPUDHI-AWEZNQCLSA-N 1 2 288.395 1.319 20 30 CDEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1CCCSC ZINC001201680409 926367780 /nfs/dbraw/zinc/36/77/80/926367780.db2.gz WKLUJOPIZAOBKI-CYBMUJFWSA-N 1 2 296.440 1.670 20 30 CDEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1CCCSC ZINC001201680409 926367788 /nfs/dbraw/zinc/36/77/88/926367788.db2.gz WKLUJOPIZAOBKI-CYBMUJFWSA-N 1 2 296.440 1.670 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2n[nH]cc2c1 ZINC001085789664 926401002 /nfs/dbraw/zinc/40/10/02/926401002.db2.gz NMVHRKZCUIKIQK-AWEZNQCLSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2n[nH]cc2c1 ZINC001085789664 926401005 /nfs/dbraw/zinc/40/10/05/926401005.db2.gz NMVHRKZCUIKIQK-AWEZNQCLSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1csc2cncn21 ZINC001085852562 926450827 /nfs/dbraw/zinc/45/08/27/926450827.db2.gz AFBGCDDJQAIDGV-LLVKDONJSA-N 1 2 288.376 1.175 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1csc2cncn21 ZINC001085852562 926450832 /nfs/dbraw/zinc/45/08/32/926450832.db2.gz AFBGCDDJQAIDGV-LLVKDONJSA-N 1 2 288.376 1.175 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nc(C)oc1C ZINC001085892521 926484514 /nfs/dbraw/zinc/48/45/14/926484514.db2.gz BJMYQEMYTFETFD-ZDUSSCGKSA-N 1 2 275.352 1.461 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nc(C)oc1C ZINC001085892521 926484520 /nfs/dbraw/zinc/48/45/20/926484520.db2.gz BJMYQEMYTFETFD-ZDUSSCGKSA-N 1 2 275.352 1.461 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)onc1CC ZINC001085967617 926552732 /nfs/dbraw/zinc/55/27/32/926552732.db2.gz QXPYWZMVLHCZNA-ZDUSSCGKSA-N 1 2 289.379 1.715 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)onc1CC ZINC001085967617 926552737 /nfs/dbraw/zinc/55/27/37/926552737.db2.gz QXPYWZMVLHCZNA-ZDUSSCGKSA-N 1 2 289.379 1.715 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2nc(C)oc2C)C1 ZINC001108300810 927357976 /nfs/dbraw/zinc/35/79/76/927357976.db2.gz ICASXFOJVMPSDZ-OAHLLOKOSA-N 1 2 293.367 1.298 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2nc(C)oc2C)C1 ZINC001108300810 927357988 /nfs/dbraw/zinc/35/79/88/927357988.db2.gz ICASXFOJVMPSDZ-OAHLLOKOSA-N 1 2 293.367 1.298 20 30 CDEDLO C#CCCCCC(=O)N[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001108319722 927379425 /nfs/dbraw/zinc/37/94/25/927379425.db2.gz DQPPNRDIGMJBJF-LBPRGKRZSA-N 1 2 274.368 1.895 20 30 CDEDLO C[C@@H]1C[C@@H](N2CC[NH2+]C[C@@H]2C#N)CN1C(=O)OC(C)(C)C ZINC001168852224 927492662 /nfs/dbraw/zinc/49/26/62/927492662.db2.gz WVLNFDBLABMYNE-UPJWGTAASA-N 1 2 294.399 1.182 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc(F)c(C#N)c2OC)C[NH2+]1 ZINC001169137429 927751294 /nfs/dbraw/zinc/75/12/94/927751294.db2.gz VWQJUUSRSFEAEQ-PELKAZGASA-N 1 2 293.298 1.021 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CNc1ccc(C#N)cn1 ZINC001108469016 928010781 /nfs/dbraw/zinc/01/07/81/928010781.db2.gz WYONLOVQGIGMII-JTQLQIEISA-N 1 2 298.350 1.144 20 30 CDEDLO C#C[C@@H](CC)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000854068654 928147811 /nfs/dbraw/zinc/14/78/11/928147811.db2.gz DBUDBAJAPUBWSG-RYUDHWBXSA-N 1 2 260.341 1.711 20 30 CDEDLO C[N@@H+]1CCOC[C@H]1CNc1ncnc2cc(C#N)ccc21 ZINC001169650569 928280941 /nfs/dbraw/zinc/28/09/41/928280941.db2.gz CSOUQZQJFPDXSR-GFCCVEGCSA-N 1 2 283.335 1.244 20 30 CDEDLO C[N@H+]1CCOC[C@H]1CNc1ncnc2cc(C#N)ccc21 ZINC001169650569 928280952 /nfs/dbraw/zinc/28/09/52/928280952.db2.gz CSOUQZQJFPDXSR-GFCCVEGCSA-N 1 2 283.335 1.244 20 30 CDEDLO C=CCn1ccc2c1ncnc2NC[C@H]1COCC[N@H+]1C ZINC001169652318 928284475 /nfs/dbraw/zinc/28/44/75/928284475.db2.gz YTDCLXVKOVCVCR-LBPRGKRZSA-N 1 2 287.367 1.360 20 30 CDEDLO C=CCn1ccc2c1ncnc2NC[C@H]1COCC[N@@H+]1C ZINC001169652318 928284486 /nfs/dbraw/zinc/28/44/86/928284486.db2.gz YTDCLXVKOVCVCR-LBPRGKRZSA-N 1 2 287.367 1.360 20 30 CDEDLO Cc1nc(N[C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2C)cc[nH+]1 ZINC001112314072 937296655 /nfs/dbraw/zinc/29/66/55/937296655.db2.gz AYXTVVDPCAKQQX-GXTWGEPZSA-N 1 2 286.379 1.703 20 30 CDEDLO Cc1nc(NC2(CNC(=O)CSCC#N)CC2)cc[nH+]1 ZINC001110076677 929150858 /nfs/dbraw/zinc/15/08/58/929150858.db2.gz KSXUGTCFUHEING-UHFFFAOYSA-N 1 2 291.380 1.103 20 30 CDEDLO C=CCCC(=O)COC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000785732660 929168677 /nfs/dbraw/zinc/16/86/77/929168677.db2.gz OIFGKAWTLNVTSH-VXGBXAGGSA-N 1 2 253.342 1.938 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2cscn2)CC1 ZINC001112683885 929321531 /nfs/dbraw/zinc/32/15/31/929321531.db2.gz SUUQZMFZYNJLGC-UHFFFAOYSA-N 1 2 281.381 1.104 20 30 CDEDLO C#CCOCCC(=O)NCCCCNc1cccc[nH+]1 ZINC000131433930 930177351 /nfs/dbraw/zinc/17/73/51/930177351.db2.gz QEKFVYRUUYTQBJ-UHFFFAOYSA-N 1 2 275.352 1.430 20 30 CDEDLO Cc1nc(N[C@H](C)CN(C)C(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001115684312 937412050 /nfs/dbraw/zinc/41/20/50/937412050.db2.gz SPEWYMUYWXJKKF-SNVBAGLBSA-N 1 2 298.350 1.557 20 30 CDEDLO CC(C)CNC(=O)[C@H]1CC12CC[NH+](CCC#N)CC2 ZINC001274032002 931129454 /nfs/dbraw/zinc/12/94/54/931129454.db2.gz DJPSSQBWXGVAGZ-CYBMUJFWSA-N 1 2 263.385 1.774 20 30 CDEDLO Cc1nc(NC2(CNC(=O)c3c[nH]c(C#N)c3)CC2)cc[nH+]1 ZINC001110105564 931200038 /nfs/dbraw/zinc/20/00/38/931200038.db2.gz HMQHSOSETPJAEE-UHFFFAOYSA-N 1 2 296.334 1.359 20 30 CDEDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1ccc(C#N)cc1F ZINC001274855755 931594657 /nfs/dbraw/zinc/59/46/57/931594657.db2.gz RVCBDBFNWNNPKF-PHIMTYICSA-N 1 2 259.284 1.226 20 30 CDEDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1ccc(C#N)cc1F ZINC001274855755 931594658 /nfs/dbraw/zinc/59/46/58/931594658.db2.gz RVCBDBFNWNNPKF-PHIMTYICSA-N 1 2 259.284 1.226 20 30 CDEDLO C[C@H]1C[NH+](C2CN(Cc3ccc(C#N)cn3)C2)C[C@H](C)O1 ZINC001144169824 931690434 /nfs/dbraw/zinc/69/04/34/931690434.db2.gz YNASEMWZNYRWOK-STQMWFEESA-N 1 2 286.379 1.247 20 30 CDEDLO C=C(C(=O)N1CCc2[nH+]ccn2CC1)C(F)(F)F ZINC001144207305 931699335 /nfs/dbraw/zinc/69/93/35/931699335.db2.gz DDWGAFXYPMVQTP-UHFFFAOYSA-N 1 2 259.231 1.386 20 30 CDEDLO C=CCn1cc(CN2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)cn1 ZINC001275381124 931760731 /nfs/dbraw/zinc/76/07/31/931760731.db2.gz IMJLSSNUWPIGAM-UHFFFAOYSA-N 1 2 298.394 1.110 20 30 CDEDLO C=CCn1cc(C[NH+]2CC3(CN(Cc4cn[nH]c4)C3)C2)cn1 ZINC001275381124 931760739 /nfs/dbraw/zinc/76/07/39/931760739.db2.gz IMJLSSNUWPIGAM-UHFFFAOYSA-N 1 2 298.394 1.110 20 30 CDEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCNC(=O)[C@H]1C ZINC001171221300 932012334 /nfs/dbraw/zinc/01/23/34/932012334.db2.gz KESBYOKGMUNAHW-VXGBXAGGSA-N 1 2 257.337 1.310 20 30 CDEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCNC(=O)[C@H]1C ZINC001171221300 932012342 /nfs/dbraw/zinc/01/23/42/932012342.db2.gz KESBYOKGMUNAHW-VXGBXAGGSA-N 1 2 257.337 1.310 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000846990189 932177432 /nfs/dbraw/zinc/17/74/32/932177432.db2.gz BHOJWJXAOXOWNC-VIFPVBQESA-N 1 2 287.323 1.489 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNc2ncc(CC#N)cc2Cl)C1 ZINC001155201503 937648383 /nfs/dbraw/zinc/64/83/83/937648383.db2.gz GHHRRXNXPQRGPJ-LLVKDONJSA-N 1 2 280.759 1.544 20 30 CDEDLO C[N@H+]1CCO[C@H](CNc2ncc(CC#N)cc2Cl)C1 ZINC001155201503 937648385 /nfs/dbraw/zinc/64/83/85/937648385.db2.gz GHHRRXNXPQRGPJ-LLVKDONJSA-N 1 2 280.759 1.544 20 30 CDEDLO CC(C)C#CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001118735438 937660771 /nfs/dbraw/zinc/66/07/71/937660771.db2.gz RMOCBXMRJNVUHL-AWEZNQCLSA-N 1 2 273.380 1.861 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2csc(=O)[nH]2)C1 ZINC001015567299 935572757 /nfs/dbraw/zinc/57/27/57/935572757.db2.gz BBINLAGFZATKCY-MRVPVSSYSA-N 1 2 287.772 1.405 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2csc(=O)[nH]2)C1 ZINC001015567299 935572761 /nfs/dbraw/zinc/57/27/61/935572761.db2.gz BBINLAGFZATKCY-MRVPVSSYSA-N 1 2 287.772 1.405 20 30 CDEDLO Cn1nncc1C[N@@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001238168718 945113138 /nfs/dbraw/zinc/11/31/38/945113138.db2.gz YMOCWWMWCCIRBH-OAHLLOKOSA-N 1 2 297.362 1.730 20 30 CDEDLO Cn1nncc1C[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001238168718 945113142 /nfs/dbraw/zinc/11/31/42/945113142.db2.gz YMOCWWMWCCIRBH-OAHLLOKOSA-N 1 2 297.362 1.730 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCO[C@H]1C ZINC001017762322 935648551 /nfs/dbraw/zinc/64/85/51/935648551.db2.gz YPNWOCXDIZVUTM-MPTYRVRUSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCO[C@H]1C ZINC001017762322 935648552 /nfs/dbraw/zinc/64/85/52/935648552.db2.gz YPNWOCXDIZVUTM-MPTYRVRUSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1C ZINC001017868239 935652185 /nfs/dbraw/zinc/65/21/85/935652185.db2.gz UKRFDEIHHDTNHJ-GASCZTMLSA-N 1 2 283.375 1.702 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1C ZINC001017868239 935652189 /nfs/dbraw/zinc/65/21/89/935652189.db2.gz UKRFDEIHHDTNHJ-GASCZTMLSA-N 1 2 283.375 1.702 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)onc1CC ZINC001039006106 935764705 /nfs/dbraw/zinc/76/47/05/935764705.db2.gz KMAKAJJVMFKIBW-GFCCVEGCSA-N 1 2 275.352 1.373 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)onc1CC ZINC001039006106 935764708 /nfs/dbraw/zinc/76/47/08/935764708.db2.gz KMAKAJJVMFKIBW-GFCCVEGCSA-N 1 2 275.352 1.373 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccns1 ZINC001039383303 935773651 /nfs/dbraw/zinc/77/36/51/935773651.db2.gz UGECSVGFUKWGHD-NEPJUHHUSA-N 1 2 275.377 1.455 20 30 CDEDLO C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccns1 ZINC001039383303 935773653 /nfs/dbraw/zinc/77/36/53/935773653.db2.gz UGECSVGFUKWGHD-NEPJUHHUSA-N 1 2 275.377 1.455 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2CC(OC)C2)C1 ZINC001043014503 935831439 /nfs/dbraw/zinc/83/14/39/935831439.db2.gz WFNFFPRSCLXNPD-UHFFFAOYSA-N 1 2 252.358 1.130 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCn3nccc32)C1 ZINC001043128933 935834251 /nfs/dbraw/zinc/83/42/51/935834251.db2.gz SQLBPLPCVHTBJZ-CQSZACIVSA-N 1 2 288.395 1.479 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccc(F)c2F)C1 ZINC001043689101 935842563 /nfs/dbraw/zinc/84/25/63/935842563.db2.gz VEOAAZHIFSCSBC-UHFFFAOYSA-N 1 2 278.302 1.744 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(C3CC3)cn2)C1 ZINC001044249459 935855523 /nfs/dbraw/zinc/85/55/23/935855523.db2.gz FOAQCIHDIYGOOS-UHFFFAOYSA-N 1 2 283.375 1.739 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C)n(C)c2C)C1 ZINC001044275931 935856366 /nfs/dbraw/zinc/85/63/66/935856366.db2.gz QLVLBINIPDMPAA-UHFFFAOYSA-N 1 2 275.396 1.974 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(-c3ccoc3)n[nH]2)C1 ZINC001044296522 935857255 /nfs/dbraw/zinc/85/72/55/935857255.db2.gz HYYFCPHUEVWMIW-UHFFFAOYSA-N 1 2 298.346 1.449 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cccc(OCC)c2)C1 ZINC001044342400 935858148 /nfs/dbraw/zinc/85/81/48/935858148.db2.gz YMJIMFTXTURZIQ-UHFFFAOYSA-N 1 2 288.391 1.956 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001096176245 935997230 /nfs/dbraw/zinc/99/72/30/935997230.db2.gz ZALPEVSQQLRIET-CQSZACIVSA-N 1 2 286.379 1.674 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(C)CCOC1)C2 ZINC001096244801 936019594 /nfs/dbraw/zinc/01/95/94/936019594.db2.gz YHEYMEXEGKTFNI-OSFYFWSMSA-N 1 2 298.814 1.887 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(C)CCOC1)C2 ZINC001096244801 936019595 /nfs/dbraw/zinc/01/95/95/936019595.db2.gz YHEYMEXEGKTFNI-OSFYFWSMSA-N 1 2 298.814 1.887 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@@H]1C ZINC001122977204 936096156 /nfs/dbraw/zinc/09/61/56/936096156.db2.gz INDLAMMTSQSMHK-GXTWGEPZSA-N 1 2 286.379 1.990 20 30 CDEDLO COc1ncc(NC(=O)CCc2[nH]cc[nH+]2)cc1C#N ZINC001413539804 936158632 /nfs/dbraw/zinc/15/86/32/936158632.db2.gz VCAPJLLSWMPYEM-UHFFFAOYSA-N 1 2 271.280 1.256 20 30 CDEDLO Cc1nc(NC[C@@H]2CC[C@@H](NC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001123793035 936223761 /nfs/dbraw/zinc/22/37/61/936223761.db2.gz AJFOLPOKYZQEKU-HUUCEWRRSA-N 1 2 298.390 1.895 20 30 CDEDLO C=CCC[C@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC001120733615 937830995 /nfs/dbraw/zinc/83/09/95/937830995.db2.gz OWYXEWWFSAQUCL-CABCVRRESA-N 1 2 279.428 1.580 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122436578 937932044 /nfs/dbraw/zinc/93/20/44/937932044.db2.gz GIZAVEMZVDJMLM-YPMHNXCESA-N 1 2 292.383 1.276 20 30 CDEDLO C=CCO[C@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccon1 ZINC001157217661 938466946 /nfs/dbraw/zinc/46/69/46/938466946.db2.gz VGLMCEDDOVNKDI-CHWSQXEVSA-N 1 2 295.383 1.592 20 30 CDEDLO C=CCO[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccon1 ZINC001157217661 938466947 /nfs/dbraw/zinc/46/69/47/938466947.db2.gz VGLMCEDDOVNKDI-CHWSQXEVSA-N 1 2 295.383 1.592 20 30 CDEDLO CCN(c1nc(Cl)ncc1C#N)C1C[NH+](C)C1 ZINC001157455929 938494588 /nfs/dbraw/zinc/49/45/88/938494588.db2.gz XYGKIBWTAUQAGU-UHFFFAOYSA-N 1 2 251.721 1.142 20 30 CDEDLO C[C@H]1C[NH+](C2CN(c3cc(CC#N)ccn3)C2)C[C@H](C)O1 ZINC001158716886 938655992 /nfs/dbraw/zinc/65/59/92/938655992.db2.gz MDANCICAHCDILB-STQMWFEESA-N 1 2 286.379 1.445 20 30 CDEDLO CN(C)C(=O)[C@@H]1CC12C[NH+](Cc1ccccc1C#N)C2 ZINC001278239500 945200800 /nfs/dbraw/zinc/20/08/00/945200800.db2.gz SNAPJYXZJFCJTE-AWEZNQCLSA-N 1 2 269.348 1.468 20 30 CDEDLO N#Cc1nccnc1N[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC001160720375 938819444 /nfs/dbraw/zinc/81/94/44/938819444.db2.gz OQWMXEYFMKXUMX-DGCLKSJQSA-N 1 2 273.340 1.013 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1cc(CC#N)ccn1 ZINC001162854623 939154946 /nfs/dbraw/zinc/15/49/46/939154946.db2.gz TWICDFLABWPULY-NSHDSACASA-N 1 2 276.340 1.229 20 30 CDEDLO N#Cc1cc2c(nc1N1CC[NH2+]CC(F)(F)C1)CCOC2 ZINC001164502096 939479779 /nfs/dbraw/zinc/47/97/79/939479779.db2.gz FNNVLKQNOZIQNN-UHFFFAOYSA-N 1 2 294.305 1.071 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1cc(N)cc(Cl)n1 ZINC001164650949 939501879 /nfs/dbraw/zinc/50/18/79/939501879.db2.gz FCAZBTNWDUWKJO-MRVPVSSYSA-N 1 2 287.701 1.164 20 30 CDEDLO Cc1c(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cnn1C ZINC001204569504 939775063 /nfs/dbraw/zinc/77/50/63/939775063.db2.gz UWSRUBYZBHAMPH-LBPRGKRZSA-N 1 2 263.366 1.503 20 30 CDEDLO C#CCC[NH2+][C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001208084041 940287005 /nfs/dbraw/zinc/28/70/05/940287005.db2.gz JVALWENWBZMVNY-UWVGGRQHSA-N 1 2 280.265 1.491 20 30 CDEDLO C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001208084041 940287006 /nfs/dbraw/zinc/28/70/06/940287006.db2.gz JVALWENWBZMVNY-UWVGGRQHSA-N 1 2 280.265 1.491 20 30 CDEDLO C#CC[NH+]1CCN(Cc2nn(C)c3ccccc32)CC1 ZINC001209582980 940612979 /nfs/dbraw/zinc/61/29/79/940612979.db2.gz WMVVBELQBDNTDW-UHFFFAOYSA-N 1 2 268.364 1.324 20 30 CDEDLO C#Cc1cc(Nc2ccc3c(c2)CCNC3=O)cc[nH+]1 ZINC001210158935 940667985 /nfs/dbraw/zinc/66/79/85/940667985.db2.gz IXOMACOUHLCAFG-UHFFFAOYSA-N 1 2 263.300 1.514 20 30 CDEDLO Cc1cc(C#N)cc(NC(=O)NCc2c[nH+]cn2C)c1 ZINC001219116083 941310846 /nfs/dbraw/zinc/31/08/46/941310846.db2.gz RBAAJDWYCHJOFP-UHFFFAOYSA-N 1 2 269.308 1.922 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](F)CCCCCC)[C@@H](O)C1 ZINC001220762087 941469913 /nfs/dbraw/zinc/46/99/13/941469913.db2.gz IBBDBZWVSMKNFW-MCIONIFRSA-N 1 2 284.375 1.089 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](F)CCCCCC)[C@@H](O)C1 ZINC001220762087 941469915 /nfs/dbraw/zinc/46/99/15/941469915.db2.gz IBBDBZWVSMKNFW-MCIONIFRSA-N 1 2 284.375 1.089 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCOCC)[C@@H]2C1 ZINC001221432799 941535759 /nfs/dbraw/zinc/53/57/59/941535759.db2.gz GCMIYYCPLJHMOF-CHWSQXEVSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCOCC)[C@@H]2C1 ZINC001221432799 941535762 /nfs/dbraw/zinc/53/57/62/941535762.db2.gz GCMIYYCPLJHMOF-CHWSQXEVSA-N 1 2 286.803 1.698 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccccc3C#N)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225198425 941829379 /nfs/dbraw/zinc/82/93/79/941829379.db2.gz HKXDRALOVYEDLQ-KYFMZXIUSA-N 1 2 256.305 1.549 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccccc3C#N)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225198425 941829384 /nfs/dbraw/zinc/82/93/84/941829384.db2.gz HKXDRALOVYEDLQ-KYFMZXIUSA-N 1 2 256.305 1.549 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(Cl)nc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225599586 941886412 /nfs/dbraw/zinc/88/64/12/941886412.db2.gz WQIGLHDUNYPGKI-NJFCNUMCSA-N 1 2 266.728 1.726 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(Cl)nc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225599586 941886413 /nfs/dbraw/zinc/88/64/13/941886413.db2.gz WQIGLHDUNYPGKI-NJFCNUMCSA-N 1 2 266.728 1.726 20 30 CDEDLO COc1ccc(F)cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001225649023 941894143 /nfs/dbraw/zinc/89/41/43/941894143.db2.gz FUIONUXQMMHELC-RBRDRRMGSA-N 1 2 279.311 1.826 20 30 CDEDLO COc1ccc(F)cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001225649023 941894145 /nfs/dbraw/zinc/89/41/45/941894145.db2.gz FUIONUXQMMHELC-RBRDRRMGSA-N 1 2 279.311 1.826 20 30 CDEDLO C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(F)C(F)(F)F ZINC001226366269 941993879 /nfs/dbraw/zinc/99/38/79/941993879.db2.gz RMAWXBKGFSCTNG-GMTAPVOTSA-N 1 2 294.292 1.927 20 30 CDEDLO C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](F)C(F)(F)F ZINC001226366269 941993881 /nfs/dbraw/zinc/99/38/81/941993881.db2.gz RMAWXBKGFSCTNG-GMTAPVOTSA-N 1 2 294.292 1.927 20 30 CDEDLO C=CCCC(=O)NC1CC[NH+](Cc2ccon2)CC1 ZINC001226518103 942019507 /nfs/dbraw/zinc/01/95/07/942019507.db2.gz BUOPIAPXNSGBRX-UHFFFAOYSA-N 1 2 263.341 1.721 20 30 CDEDLO C#CCCCC(=O)NC1CC[NH+](Cc2ccon2)CC1 ZINC001227084918 942129274 /nfs/dbraw/zinc/12/92/74/942129274.db2.gz OLQYSAUAZYODGZ-UHFFFAOYSA-N 1 2 275.352 1.559 20 30 CDEDLO C=CCc1ccc(O)c(OC[C@@H]2C[N@H+](C)CCO2)c1 ZINC001229338209 942454223 /nfs/dbraw/zinc/45/42/23/942454223.db2.gz AWQDRZULHHMGET-ZDUSSCGKSA-N 1 2 263.337 1.830 20 30 CDEDLO C=CCc1ccc(O)c(OC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001229338209 942454228 /nfs/dbraw/zinc/45/42/28/942454228.db2.gz AWQDRZULHHMGET-ZDUSSCGKSA-N 1 2 263.337 1.830 20 30 CDEDLO C[N@@H+]1CCC[C@@H](Oc2ccc(O)c3c2C(=O)C=CC3=O)C1 ZINC001229406108 942465770 /nfs/dbraw/zinc/46/57/70/942465770.db2.gz KAELIJNFCBAWKM-SNVBAGLBSA-N 1 2 287.315 1.800 20 30 CDEDLO C[N@H+]1CCC[C@@H](Oc2ccc(O)c3c2C(=O)C=CC3=O)C1 ZINC001229406108 942465773 /nfs/dbraw/zinc/46/57/73/942465773.db2.gz KAELIJNFCBAWKM-SNVBAGLBSA-N 1 2 287.315 1.800 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccn1 ZINC001231246156 942832619 /nfs/dbraw/zinc/83/26/19/942832619.db2.gz DHJVSNBWXIXXFC-OCCSQVGLSA-N 1 2 272.352 1.274 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccn1 ZINC001231246156 942832622 /nfs/dbraw/zinc/83/26/22/942832622.db2.gz DHJVSNBWXIXXFC-OCCSQVGLSA-N 1 2 272.352 1.274 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2C[C@@H](F)C[C@H]2CO)c1 ZINC001232673791 943354387 /nfs/dbraw/zinc/35/43/87/943354387.db2.gz NKUZBBALFZKCCX-RYUDHWBXSA-N 1 2 250.273 1.169 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2C[C@@H](F)C[C@H]2CO)c1 ZINC001232673791 943354388 /nfs/dbraw/zinc/35/43/88/943354388.db2.gz NKUZBBALFZKCCX-RYUDHWBXSA-N 1 2 250.273 1.169 20 30 CDEDLO CC(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2O)CC1 ZINC001232674263 943356058 /nfs/dbraw/zinc/35/60/58/943356058.db2.gz UULVPWICOONPGM-UHFFFAOYSA-N 1 2 273.336 1.318 20 30 CDEDLO CC(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2O)CC1 ZINC001232674263 943356060 /nfs/dbraw/zinc/35/60/60/943356060.db2.gz UULVPWICOONPGM-UHFFFAOYSA-N 1 2 273.336 1.318 20 30 CDEDLO N#Cc1ccc(O)c(C[NH+]2CCN(c3cccnn3)CC2)c1 ZINC001232679942 943363696 /nfs/dbraw/zinc/36/36/96/943363696.db2.gz VRKNHMHDZRZEHW-UHFFFAOYSA-N 1 2 295.346 1.376 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(CC(F)F)CC2)c(O)c1 ZINC001233387101 943574144 /nfs/dbraw/zinc/57/41/44/943574144.db2.gz UZEOTXQHELCSFN-UHFFFAOYSA-N 1 2 281.306 1.647 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2ccc3sc(C#N)nc3c2)C1 ZINC001233707021 943644719 /nfs/dbraw/zinc/64/47/19/943644719.db2.gz VKRKBWXCXCYTME-LLVKDONJSA-N 1 2 289.360 1.877 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2ccc3sc(C#N)nc3c2)C1 ZINC001233707021 943644723 /nfs/dbraw/zinc/64/47/23/943644723.db2.gz VKRKBWXCXCYTME-LLVKDONJSA-N 1 2 289.360 1.877 20 30 CDEDLO COc1cc(/C=N/O)ccc1O[C@@H](C)C[NH+]1CCOCC1 ZINC001233801132 943662453 /nfs/dbraw/zinc/66/24/53/943662453.db2.gz WHWCSNNTQIVXBL-SEJMYLSOSA-N 1 2 294.351 1.603 20 30 CDEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)CC1CC1 ZINC001262990906 943722034 /nfs/dbraw/zinc/72/20/34/943722034.db2.gz SHRDLRSHYQFHCV-UHFFFAOYSA-N 1 2 286.383 1.635 20 30 CDEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@@H+]1C/C=C/Cl ZINC001234130841 943749880 /nfs/dbraw/zinc/74/98/80/943749880.db2.gz NYRGXYPYZKTPHZ-FLUIGGAXSA-N 1 2 268.788 1.931 20 30 CDEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@H+]1C/C=C/Cl ZINC001234130841 943749883 /nfs/dbraw/zinc/74/98/83/943749883.db2.gz NYRGXYPYZKTPHZ-FLUIGGAXSA-N 1 2 268.788 1.931 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)/C=C(\C)CC ZINC001234128156 943750079 /nfs/dbraw/zinc/75/00/79/943750079.db2.gz AVXWKQONUTZYNF-JWAFFJSPSA-N 1 2 293.411 1.178 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)/C=C(\C)CC ZINC001234128156 943750086 /nfs/dbraw/zinc/75/00/86/943750086.db2.gz AVXWKQONUTZYNF-JWAFFJSPSA-N 1 2 293.411 1.178 20 30 CDEDLO C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001234426527 943834026 /nfs/dbraw/zinc/83/40/26/943834026.db2.gz WIBWZHDSXOYNES-ZJUUUORDSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001234426527 943834029 /nfs/dbraw/zinc/83/40/29/943834029.db2.gz WIBWZHDSXOYNES-ZJUUUORDSA-N 1 2 282.281 1.996 20 30 CDEDLO CC(=O)O/N=C(/C)c1ccccc1OC1C[NH+](C)C1 ZINC001234842121 943956866 /nfs/dbraw/zinc/95/68/66/943956866.db2.gz VWMIPHNEZDKFKE-GDNBJRDFSA-N 1 2 262.309 1.667 20 30 CDEDLO N#CCC[N@H+]1CC[C@H]2CN(C(=O)CCc3ccc[nH]3)C[C@H]21 ZINC001277936607 944117905 /nfs/dbraw/zinc/11/79/05/944117905.db2.gz MVGYCHGMIBREMF-DZGCQCFKSA-N 1 2 286.379 1.394 20 30 CDEDLO N#CCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3ccc[nH]3)C[C@H]21 ZINC001277936607 944117908 /nfs/dbraw/zinc/11/79/08/944117908.db2.gz MVGYCHGMIBREMF-DZGCQCFKSA-N 1 2 286.379 1.394 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1nc(CCC)no1 ZINC001235436611 944155930 /nfs/dbraw/zinc/15/59/30/944155930.db2.gz OHPBYJROECMOMS-UHFFFAOYSA-N 1 2 294.399 1.926 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1nc(CCC)no1 ZINC001235436611 944155933 /nfs/dbraw/zinc/15/59/33/944155933.db2.gz OHPBYJROECMOMS-UHFFFAOYSA-N 1 2 294.399 1.926 20 30 CDEDLO N#Cc1ccc(CC[N@@H+]2CCn3cnc(CO)c3C2)cc1 ZINC001235500652 944174143 /nfs/dbraw/zinc/17/41/43/944174143.db2.gz AMKZLXMHGOECRX-UHFFFAOYSA-N 1 2 282.347 1.305 20 30 CDEDLO N#Cc1ccc(CC[N@H+]2CCn3cnc(CO)c3C2)cc1 ZINC001235500652 944174147 /nfs/dbraw/zinc/17/41/47/944174147.db2.gz AMKZLXMHGOECRX-UHFFFAOYSA-N 1 2 282.347 1.305 20 30 CDEDLO Cc1ccc(C[N@H+]2CCCN(C)C(=O)C2)cc1C#N ZINC000700704865 944368639 /nfs/dbraw/zinc/36/86/39/944368639.db2.gz RAQYJIGCNUJDOA-UHFFFAOYSA-N 1 2 257.337 1.531 20 30 CDEDLO Cc1ccc(C[N@@H+]2CCCN(C)C(=O)C2)cc1C#N ZINC000700704865 944368647 /nfs/dbraw/zinc/36/86/47/944368647.db2.gz RAQYJIGCNUJDOA-UHFFFAOYSA-N 1 2 257.337 1.531 20 30 CDEDLO CCOC(=O)c1cc(C[N@@H+]2CCC[C@H](C#N)CC2)[nH]n1 ZINC001237030917 944633516 /nfs/dbraw/zinc/63/35/16/944633516.db2.gz DNTXDUQKURNQOL-NSHDSACASA-N 1 2 276.340 1.712 20 30 CDEDLO CCOC(=O)c1cc(C[N@H+]2CCC[C@H](C#N)CC2)[nH]n1 ZINC001237030917 944633523 /nfs/dbraw/zinc/63/35/23/944633523.db2.gz DNTXDUQKURNQOL-NSHDSACASA-N 1 2 276.340 1.712 20 30 CDEDLO CCOC(=O)C1(F)CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC001237466867 944799390 /nfs/dbraw/zinc/79/93/90/944799390.db2.gz WIRGJLDCQFHMIK-UHFFFAOYSA-N 1 2 291.326 1.820 20 30 CDEDLO COc1ccoc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC001237872959 944990834 /nfs/dbraw/zinc/99/08/34/944990834.db2.gz AJYNYYXHMMJRFM-UHFFFAOYSA-N 1 2 298.346 1.877 20 30 CDEDLO CC[C@@H](CC#N)N1CC[NH+](Cc2ccccn2)CC1 ZINC001255167981 947762000 /nfs/dbraw/zinc/76/20/00/947762000.db2.gz LMEOUUQZRSFVHC-HNNXBMFYSA-N 1 2 258.369 1.891 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C1CCC(C#N)CC1 ZINC001256963776 948465880 /nfs/dbraw/zinc/46/58/80/948465880.db2.gz MBOTVTAAXMSTOP-ADPBJBESSA-N 1 2 254.305 1.654 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1C1CCC(C#N)CC1 ZINC001256963776 948465883 /nfs/dbraw/zinc/46/58/83/948465883.db2.gz MBOTVTAAXMSTOP-ADPBJBESSA-N 1 2 254.305 1.654 20 30 CDEDLO COC(=O)[C@H](CS)[NH2+]C1CCC(OC(C)C)CC1 ZINC001257870797 948652423 /nfs/dbraw/zinc/65/24/23/948652423.db2.gz WGCQZESIXHPEAH-MCIGGMRASA-N 1 2 275.414 1.784 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@H]1COc2ccc(Cl)cc2C1 ZINC001257955943 948671604 /nfs/dbraw/zinc/67/16/04/948671604.db2.gz FESPKHHNMOAEFF-CHWSQXEVSA-N 1 2 277.755 1.441 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2cc3ccc(C#N)cc3[nH]2)CCO1 ZINC001249430345 949598636 /nfs/dbraw/zinc/59/86/36/949598636.db2.gz OEARZJRULIFRDB-HNNXBMFYSA-N 1 2 285.347 1.887 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)CCO1 ZINC001249430345 949598655 /nfs/dbraw/zinc/59/86/55/949598655.db2.gz OEARZJRULIFRDB-HNNXBMFYSA-N 1 2 285.347 1.887 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cccs1 ZINC001250948238 950478363 /nfs/dbraw/zinc/47/83/63/950478363.db2.gz BJJUHMZWJONGKS-NSHDSACASA-N 1 2 286.422 1.677 20 30 CDEDLO C=CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cccs1 ZINC001250948238 950478375 /nfs/dbraw/zinc/47/83/75/950478375.db2.gz BJJUHMZWJONGKS-NSHDSACASA-N 1 2 286.422 1.677 20 30 CDEDLO Cc1cc(C#N)c(NC[C@H](O)C[NH+]2CCOCC2)s1 ZINC001251003129 950554079 /nfs/dbraw/zinc/55/40/79/950554079.db2.gz GCOWILKKJQCKQL-LBPRGKRZSA-N 1 2 281.381 1.033 20 30 CDEDLO Cc1cc(C#N)c(F)cc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251031288 950566440 /nfs/dbraw/zinc/56/64/40/950566440.db2.gz JAECMBCEOTWSLB-CYBMUJFWSA-N 1 2 293.342 1.111 20 30 CDEDLO C=C[C@](C)(O)C[N@@H+]1CCN(c2cccc(Cl)c2)C(=O)C1 ZINC001252558149 951453264 /nfs/dbraw/zinc/45/32/64/951453264.db2.gz MSTIVLRGFMLQMV-HNNXBMFYSA-N 1 2 294.782 1.926 20 30 CDEDLO C=C[C@](C)(O)C[N@H+]1CCN(c2cccc(Cl)c2)C(=O)C1 ZINC001252558149 951453267 /nfs/dbraw/zinc/45/32/67/951453267.db2.gz MSTIVLRGFMLQMV-HNNXBMFYSA-N 1 2 294.782 1.926 20 30 CDEDLO C=CCC[C@H](O)CNc1ccc(N2CCOCC2)[nH+]c1 ZINC001252588024 951482334 /nfs/dbraw/zinc/48/23/34/951482334.db2.gz ISKBWNJNGHTJNP-AWEZNQCLSA-N 1 2 277.368 1.657 20 30 CDEDLO C=CCCCCCC[C@@H](O)C[NH2+]Cc1nnc[nH]1 ZINC001253249706 951825995 /nfs/dbraw/zinc/82/59/95/951825995.db2.gz NHIKWHCQYAJXGL-GFCCVEGCSA-N 1 2 252.362 1.782 20 30 CDEDLO C=C[C@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 ZINC001253577281 951965872 /nfs/dbraw/zinc/96/58/72/951965872.db2.gz STPFCHUPJBRUFH-SDDRHHMPSA-N 1 2 268.357 1.227 20 30 CDEDLO C=C[C@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 ZINC001253577281 951965878 /nfs/dbraw/zinc/96/58/78/951965878.db2.gz STPFCHUPJBRUFH-SDDRHHMPSA-N 1 2 268.357 1.227 20 30 CDEDLO C=C[C@H](O)CNc1ccccc1C[NH+]1CCOCC1 ZINC001253590577 951982219 /nfs/dbraw/zinc/98/22/19/951982219.db2.gz WJARRINIUWPDLJ-AWEZNQCLSA-N 1 2 262.353 1.478 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCc3cc[nH+]c(N)c3C2)c(F)c1 ZINC001363128144 971910735 /nfs/dbraw/zinc/91/07/35/971910735.db2.gz ZKPVGYJSNIZEDC-UHFFFAOYSA-N 1 2 296.305 1.873 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)COC)C1 ZINC001493935251 972140448 /nfs/dbraw/zinc/14/04/48/972140448.db2.gz ORBMTQCGGJODGY-LBPRGKRZSA-N 1 2 274.792 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)COC)C1 ZINC001493935251 972140449 /nfs/dbraw/zinc/14/04/49/972140449.db2.gz ORBMTQCGGJODGY-LBPRGKRZSA-N 1 2 274.792 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCn2cncn2)C1 ZINC001367035553 957357678 /nfs/dbraw/zinc/35/76/78/957357678.db2.gz PLKGDZLVVFPDIP-GFCCVEGCSA-N 1 2 297.790 1.001 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCn2cncn2)C1 ZINC001367035553 957357689 /nfs/dbraw/zinc/35/76/89/957357689.db2.gz PLKGDZLVVFPDIP-GFCCVEGCSA-N 1 2 297.790 1.001 20 30 CDEDLO CC#CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)[O-] ZINC001332000256 957392950 /nfs/dbraw/zinc/39/29/50/957392950.db2.gz WWZXBWBCCOUIPO-HNNXBMFYSA-N 1 2 283.331 1.829 20 30 CDEDLO N#Cc1cc(F)cc(NC(=O)NCc2ccc[nH+]c2N)c1 ZINC001426109507 957691375 /nfs/dbraw/zinc/69/13/75/957691375.db2.gz ZHYUOOQCGMWPAG-UHFFFAOYSA-N 1 2 285.282 1.996 20 30 CDEDLO C[C@H](C#N)C(=O)NCc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC001367198756 957841687 /nfs/dbraw/zinc/84/16/87/957841687.db2.gz BXGBRSAAUCVBIA-GFCCVEGCSA-N 1 2 298.346 1.740 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCC(=O)c1cccs1)CC1CC1 ZINC001319446689 958567688 /nfs/dbraw/zinc/56/76/88/958567688.db2.gz UYOMOUYCXAHKNK-UHFFFAOYSA-N 1 2 290.388 1.392 20 30 CDEDLO C#CC[N@H+](CC(=O)NCC(=O)c1cccs1)CC1CC1 ZINC001319446689 958567695 /nfs/dbraw/zinc/56/76/95/958567695.db2.gz UYOMOUYCXAHKNK-UHFFFAOYSA-N 1 2 290.388 1.392 20 30 CDEDLO C#CCN(CC1CC1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001320462228 959184118 /nfs/dbraw/zinc/18/41/18/959184118.db2.gz YVXZUBQMQPHBRC-ZDUSSCGKSA-N 1 2 272.352 1.253 20 30 CDEDLO C=CCC1(O)CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001334733223 959315074 /nfs/dbraw/zinc/31/50/74/959315074.db2.gz NAHKOFTZEQQANO-ZDUSSCGKSA-N 1 2 289.379 1.375 20 30 CDEDLO Cc1cc(C#N)nc(NCC[N@H+]2CCOC[C@@H]2C)c1 ZINC001336697197 960476143 /nfs/dbraw/zinc/47/61/43/960476143.db2.gz FZCNQTFREJRIQS-LBPRGKRZSA-N 1 2 260.341 1.394 20 30 CDEDLO Cc1cc(C#N)nc(NCC[N@@H+]2CCOC[C@@H]2C)c1 ZINC001336697197 960476160 /nfs/dbraw/zinc/47/61/60/960476160.db2.gz FZCNQTFREJRIQS-LBPRGKRZSA-N 1 2 260.341 1.394 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)NCc1cc(C#N)ccc1F ZINC001433736306 960571143 /nfs/dbraw/zinc/57/11/43/960571143.db2.gz KTDCISIGPSGAQZ-UHFFFAOYSA-N 1 2 272.283 1.588 20 30 CDEDLO C=C[C@H](COC)NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC001324033023 961122662 /nfs/dbraw/zinc/12/26/62/961122662.db2.gz VWFYSOPUVINCGZ-MGPQQGTHSA-N 1 2 292.383 1.677 20 30 CDEDLO COc1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1C#N ZINC001434325491 961166750 /nfs/dbraw/zinc/16/67/50/961166750.db2.gz NRDGRHXUFFTFOD-UHFFFAOYSA-N 1 2 270.292 1.149 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001419043359 961298242 /nfs/dbraw/zinc/29/82/42/961298242.db2.gz ZZQKNGBPASJGEH-NSHDSACASA-N 1 2 296.802 1.324 20 30 CDEDLO C=C[C@H](COC)NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001338161654 961663547 /nfs/dbraw/zinc/66/35/47/961663547.db2.gz FPOINDZWTHDHLR-CHWSQXEVSA-N 1 2 278.356 1.431 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccc(OC)nc1 ZINC001419980832 962327696 /nfs/dbraw/zinc/32/76/96/962327696.db2.gz LNBYHTHWRQZFID-UHFFFAOYSA-N 1 2 297.786 1.847 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccc(OC)nc1 ZINC001419980832 962327712 /nfs/dbraw/zinc/32/77/12/962327712.db2.gz LNBYHTHWRQZFID-UHFFFAOYSA-N 1 2 297.786 1.847 20 30 CDEDLO C=CCN(CC=C)c1nnc(Cc2[nH+]ccn2C)n1CC ZINC001339392259 962339766 /nfs/dbraw/zinc/33/97/66/962339766.db2.gz SQPMPTBOEYLBPF-UHFFFAOYSA-N 1 2 286.383 1.801 20 30 CDEDLO COCC(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001436721078 962363706 /nfs/dbraw/zinc/36/37/06/962363706.db2.gz PYFVQLKPCKJFBU-ZDUSSCGKSA-N 1 2 291.326 1.034 20 30 CDEDLO COCC(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001436721078 962363716 /nfs/dbraw/zinc/36/37/16/962363716.db2.gz PYFVQLKPCKJFBU-ZDUSSCGKSA-N 1 2 291.326 1.034 20 30 CDEDLO C=C(C)CN(C)c1nnc(C[NH+]2CCCCC2)n1C ZINC001339917215 962622750 /nfs/dbraw/zinc/62/27/50/962622750.db2.gz VCFVHTDEFOSLNZ-UHFFFAOYSA-N 1 2 263.389 1.813 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cn1cc(C2CC2)cn1 ZINC001420258560 962642974 /nfs/dbraw/zinc/64/29/74/962642974.db2.gz ZGARYDXUNXCIBK-UHFFFAOYSA-N 1 2 296.802 1.561 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cn1cc(C2CC2)cn1 ZINC001420258560 962642985 /nfs/dbraw/zinc/64/29/85/962642985.db2.gz ZGARYDXUNXCIBK-UHFFFAOYSA-N 1 2 296.802 1.561 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc2ncccn2n1 ZINC001437530235 962996350 /nfs/dbraw/zinc/99/63/50/962996350.db2.gz DCEXIZYUBJCDLK-UHFFFAOYSA-N 1 2 293.758 1.143 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc2ncccn2n1 ZINC001437530235 962996359 /nfs/dbraw/zinc/99/63/59/962996359.db2.gz DCEXIZYUBJCDLK-UHFFFAOYSA-N 1 2 293.758 1.143 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC1C[NH+](Cc2ccc(F)c(F)c2)C1 ZINC001438110155 963325561 /nfs/dbraw/zinc/32/55/61/963325561.db2.gz GRQBFPDMYFCZES-JTQLQIEISA-N 1 2 293.317 1.672 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C1=CCOCC1 ZINC001438864399 963578715 /nfs/dbraw/zinc/57/87/15/963578715.db2.gz HZUVWKLERAWPRB-UHFFFAOYSA-N 1 2 272.776 1.476 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C1=CCOCC1 ZINC001438864399 963578720 /nfs/dbraw/zinc/57/87/20/963578720.db2.gz HZUVWKLERAWPRB-UHFFFAOYSA-N 1 2 272.776 1.476 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CO[C@H](C)CC ZINC001438867055 963581832 /nfs/dbraw/zinc/58/18/32/963581832.db2.gz NHWFIKPPKRROLN-GFCCVEGCSA-N 1 2 276.808 1.944 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CO[C@H](C)CC ZINC001438867055 963581836 /nfs/dbraw/zinc/58/18/36/963581836.db2.gz NHWFIKPPKRROLN-GFCCVEGCSA-N 1 2 276.808 1.944 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)Nc1n[nH]c2cc(C#N)c(C)cc21 ZINC001557353562 965169425 /nfs/dbraw/zinc/16/94/25/965169425.db2.gz UQNQODZHJHNVGA-UHFFFAOYSA-N 1 2 294.318 1.956 20 30 CDEDLO C=C(CC)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC001346972948 965317942 /nfs/dbraw/zinc/31/79/42/965317942.db2.gz QCEAHHFXZWXACC-STQMWFEESA-N 1 2 252.358 1.274 20 30 CDEDLO C[C@@H](CCC#N)C[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC001349632081 966414558 /nfs/dbraw/zinc/41/45/58/966414558.db2.gz FOJDDBNWAURCLE-QWRGUYRKSA-N 1 2 263.345 1.686 20 30 CDEDLO Cc1[nH]c(CNC(=O)c2ccc(C#N)cc2)[nH+]c1C ZINC001545360299 967418977 /nfs/dbraw/zinc/41/89/77/967418977.db2.gz PDPSQMPXIPQBMT-UHFFFAOYSA-N 1 2 254.293 1.828 20 30 CDEDLO C=C(C)C[NH2+]C1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001100348005 968082557 /nfs/dbraw/zinc/08/25/57/968082557.db2.gz RIIUMUDEQCCCDK-UDNWOFFPSA-N 1 2 282.281 1.947 20 30 CDEDLO C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001100348005 968082564 /nfs/dbraw/zinc/08/25/64/968082564.db2.gz RIIUMUDEQCCCDK-UDNWOFFPSA-N 1 2 282.281 1.947 20 30 CDEDLO N#Cc1sccc1C(=O)N1CCn2c[nH+]cc2C1 ZINC001354019735 968411219 /nfs/dbraw/zinc/41/12/19/968411219.db2.gz QJYKQJFSMBWTHF-UHFFFAOYSA-N 1 2 258.306 1.472 20 30 CDEDLO C#CCC[NH2+]C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001200670430 968720669 /nfs/dbraw/zinc/72/06/69/968720669.db2.gz KKZALBKCAODSKO-JTQLQIEISA-N 1 2 280.265 1.491 20 30 CDEDLO C#CCC[NH2+]C1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001200670430 968720674 /nfs/dbraw/zinc/72/06/74/968720674.db2.gz KKZALBKCAODSKO-JTQLQIEISA-N 1 2 280.265 1.491 20 30 CDEDLO CC[C@H](C)[N@@H+](CC(=O)OC)C[C@H](O)c1cccc(C#N)c1 ZINC001460031650 969469242 /nfs/dbraw/zinc/46/92/42/969469242.db2.gz QAKRCXJVJFVDRB-WFASDCNBSA-N 1 2 290.363 1.865 20 30 CDEDLO CC[C@H](C)[N@H+](CC(=O)OC)C[C@H](O)c1cccc(C#N)c1 ZINC001460031650 969469245 /nfs/dbraw/zinc/46/92/45/969469245.db2.gz QAKRCXJVJFVDRB-WFASDCNBSA-N 1 2 290.363 1.865 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnc2n1CCC2 ZINC001498307268 973820133 /nfs/dbraw/zinc/82/01/33/973820133.db2.gz WYKMUUBSEJCPDX-LLVKDONJSA-N 1 2 296.802 1.632 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cnc2n1CCC2 ZINC001498307268 973820142 /nfs/dbraw/zinc/82/01/42/973820142.db2.gz WYKMUUBSEJCPDX-LLVKDONJSA-N 1 2 296.802 1.632 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnsc2Cl)C1 ZINC001376355437 974639168 /nfs/dbraw/zinc/63/91/68/974639168.db2.gz BGFPLDZUBUDVGM-FXQIFTODSA-N 1 2 299.787 1.088 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCc1nc(C)no1 ZINC001377197114 974922099 /nfs/dbraw/zinc/92/20/99/974922099.db2.gz JYIQFCSAHHEQJA-UHFFFAOYSA-N 1 2 286.763 1.111 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCc1nc(C)no1 ZINC001377197114 974922102 /nfs/dbraw/zinc/92/21/02/974922102.db2.gz JYIQFCSAHHEQJA-UHFFFAOYSA-N 1 2 286.763 1.111 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnn(C(C)C)c1 ZINC001377253753 974945595 /nfs/dbraw/zinc/94/55/95/974945595.db2.gz WXXIIPXHMRNYQI-UHFFFAOYSA-N 1 2 284.791 1.878 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnn(C(C)C)c1 ZINC001377253753 974945601 /nfs/dbraw/zinc/94/56/01/974945601.db2.gz WXXIIPXHMRNYQI-UHFFFAOYSA-N 1 2 284.791 1.878 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1cccnc1 ZINC001377309049 974970403 /nfs/dbraw/zinc/97/04/03/974970403.db2.gz RQHHWCSSVQMUPJ-UHFFFAOYSA-N 1 2 281.787 1.815 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1cccnc1 ZINC001377309049 974970404 /nfs/dbraw/zinc/97/04/04/974970404.db2.gz RQHHWCSSVQMUPJ-UHFFFAOYSA-N 1 2 281.787 1.815 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CCc2ccon2)C1 ZINC001506637217 975193859 /nfs/dbraw/zinc/19/38/59/975193859.db2.gz VMERBLMZTVAYMK-NSHDSACASA-N 1 2 297.786 1.796 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCc2nccs2)C1 ZINC001404926761 975544928 /nfs/dbraw/zinc/54/49/28/975544928.db2.gz GGKBYGGHDIZYBC-UHFFFAOYSA-N 1 2 299.827 1.876 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)Cc2nonc2C)C1 ZINC001402123138 976133276 /nfs/dbraw/zinc/13/32/76/976133276.db2.gz DLAANCRVHXFEHL-ZDUSSCGKSA-N 1 2 298.774 1.254 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)Cc2nonc2C)C1 ZINC001402123138 976133280 /nfs/dbraw/zinc/13/32/80/976133280.db2.gz DLAANCRVHXFEHL-ZDUSSCGKSA-N 1 2 298.774 1.254 20 30 CDEDLO N#Cc1cc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)cs1 ZINC001514793482 976345801 /nfs/dbraw/zinc/34/58/01/976345801.db2.gz LDSQVHWEEBZJRI-JTQLQIEISA-N 1 2 268.313 1.820 20 30 CDEDLO N#Cc1cc(C(=O)O[C@H]2CC[N@H+](CCF)C2)cs1 ZINC001514793482 976345814 /nfs/dbraw/zinc/34/58/14/976345814.db2.gz LDSQVHWEEBZJRI-JTQLQIEISA-N 1 2 268.313 1.820 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1nc(C)cc1C ZINC001403140810 976755898 /nfs/dbraw/zinc/75/58/98/976755898.db2.gz KDLCVJMFTQSFNP-ZDUSSCGKSA-N 1 2 298.818 1.689 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cn1nc(C)cc1C ZINC001403140810 976755903 /nfs/dbraw/zinc/75/59/03/976755903.db2.gz KDLCVJMFTQSFNP-ZDUSSCGKSA-N 1 2 298.818 1.689 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCc2cc(C)on2)C1 ZINC001400633719 977117512 /nfs/dbraw/zinc/11/75/12/977117512.db2.gz WNJWOIFLCWTTHF-ZDUSSCGKSA-N 1 2 297.786 1.859 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCc2cc(C)on2)C1 ZINC001400633719 977117515 /nfs/dbraw/zinc/11/75/15/977117515.db2.gz WNJWOIFLCWTTHF-ZDUSSCGKSA-N 1 2 297.786 1.859 20 30 CDEDLO N#Cc1ccsc1NC(=O)NCc1ccc[nH+]c1N ZINC001414462841 977204837 /nfs/dbraw/zinc/20/48/37/977204837.db2.gz BPIDUCCWBAVVKM-UHFFFAOYSA-N 1 2 273.321 1.919 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001392270765 977377210 /nfs/dbraw/zinc/37/72/10/977377210.db2.gz MJIQTDJVODDVTP-NSHDSACASA-N 1 2 288.775 1.082 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001392270765 977377215 /nfs/dbraw/zinc/37/72/15/977377215.db2.gz MJIQTDJVODDVTP-NSHDSACASA-N 1 2 288.775 1.082 20 30 CDEDLO C=CCCC1(C(=O)NCC[NH2+]Cc2cnon2)CC1 ZINC001133373662 1163661014 /nfs/dbraw/zinc/66/10/14/1163661014.db2.gz FJPPVNABEAYFHT-UHFFFAOYSA-N 1 2 264.329 1.022 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[NH2+]Cc1csnn1 ZINC001133378723 1163662046 /nfs/dbraw/zinc/66/20/46/1163662046.db2.gz LFGJCUQYJSGNAB-LBPRGKRZSA-N 1 2 268.386 1.346 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[NH2+]Cc2nc(CC)no2)C1 ZINC001133564037 1163786915 /nfs/dbraw/zinc/78/69/15/1163786915.db2.gz GLGXJSNJMYYIHI-UHFFFAOYSA-N 1 2 278.356 1.194 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000332917346 342483589 /nfs/dbraw/zinc/48/35/89/342483589.db2.gz CKBKOBPWBNKOTR-BYNSBNAKSA-N 1 2 296.411 1.193 20 30 CDEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)c1C#N ZINC000590025615 342520258 /nfs/dbraw/zinc/52/02/58/342520258.db2.gz NXRSATCEBSONJC-AAEUAGOBSA-N 1 2 288.347 1.690 20 30 CDEDLO COC(=O)c1cccc(C[N@H+]2CC[C@H](O)C[C@@H]2C)c1C#N ZINC000590025615 342520259 /nfs/dbraw/zinc/52/02/59/342520259.db2.gz NXRSATCEBSONJC-AAEUAGOBSA-N 1 2 288.347 1.690 20 30 CDEDLO CCC#C[C@@H](C)[NH+]1CCC(C(=O)OCC)([S@@](C)=O)CC1 ZINC000590747346 342587035 /nfs/dbraw/zinc/58/70/35/342587035.db2.gz WRAYQKHTACROGR-ZUOKHONESA-N 1 2 299.436 1.565 20 30 CDEDLO C=CCSCCNC(=O)CCCn1cc[nH+]c1 ZINC000609168313 342092859 /nfs/dbraw/zinc/09/28/59/342092859.db2.gz BSPOSJHWMIVJTO-UHFFFAOYSA-N 1 2 253.371 1.699 20 30 CDEDLO N#CC1(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCC1 ZINC000591393237 342629656 /nfs/dbraw/zinc/62/96/56/342629656.db2.gz QBWLOTSOAXNVDC-CYBMUJFWSA-N 1 2 299.378 1.653 20 30 CDEDLO C[N@H+](CC(=O)Nc1ccon1)Cc1ccc(C#N)cc1 ZINC000046528949 342130429 /nfs/dbraw/zinc/13/04/29/342130429.db2.gz CTWSGSUNHZLEOO-UHFFFAOYSA-N 1 2 270.292 1.617 20 30 CDEDLO C[N@@H+](CC(=O)Nc1ccon1)Cc1ccc(C#N)cc1 ZINC000046528949 342130430 /nfs/dbraw/zinc/13/04/30/342130430.db2.gz CTWSGSUNHZLEOO-UHFFFAOYSA-N 1 2 270.292 1.617 20 30 CDEDLO CC(C)(C#N)CNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000611622780 346832452 /nfs/dbraw/zinc/83/24/52/346832452.db2.gz CFDONKGLCHNKRU-UHFFFAOYSA-N 1 2 271.324 1.683 20 30 CDEDLO C=C[C@](C)(O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000611645336 346840729 /nfs/dbraw/zinc/84/07/29/346840729.db2.gz XYEVQODQEPXQTJ-AWEZNQCLSA-N 1 2 259.309 1.757 20 30 CDEDLO CC[C@@H]1CN(c2cc(C)[nH+]cc2C#N)C[C@H](C)[S@@]1=O ZINC000591825074 342647767 /nfs/dbraw/zinc/64/77/67/342647767.db2.gz DAUARMAZDHMQEA-XAEJFWIOSA-N 1 2 277.393 1.998 20 30 CDEDLO Cc1cccc(NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)c1C ZINC000592146180 342673533 /nfs/dbraw/zinc/67/35/33/342673533.db2.gz FQQAGRVIDFHGOS-MRXNPFEDSA-N 1 2 287.363 1.592 20 30 CDEDLO Cc1cccc(NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)c1C ZINC000592146180 342673535 /nfs/dbraw/zinc/67/35/35/342673535.db2.gz FQQAGRVIDFHGOS-MRXNPFEDSA-N 1 2 287.363 1.592 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000121194623 361834440 /nfs/dbraw/zinc/83/44/40/361834440.db2.gz BFCHRQPRQQZEEP-UHFFFAOYSA-N 1 2 287.363 1.619 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCN(C)C(=O)C1(C)C ZINC000121194623 361834445 /nfs/dbraw/zinc/83/44/45/361834445.db2.gz BFCHRQPRQQZEEP-UHFFFAOYSA-N 1 2 287.363 1.619 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC2(CCC2)O1 ZINC000592186962 342679942 /nfs/dbraw/zinc/67/99/42/342679942.db2.gz GUCPYZSOUFKYMH-DOMZBBRYSA-N 1 2 291.395 1.438 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC2(CCC2)O1 ZINC000592186962 342679944 /nfs/dbraw/zinc/67/99/44/342679944.db2.gz GUCPYZSOUFKYMH-DOMZBBRYSA-N 1 2 291.395 1.438 20 30 CDEDLO CC(C)c1noc([C@@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)n1 ZINC000592147968 342668219 /nfs/dbraw/zinc/66/82/19/342668219.db2.gz UVWKTLDDOVLZCV-ZWNOBZJWSA-N 1 2 264.329 1.604 20 30 CDEDLO CC(C)c1noc([C@@H](C)[N@H+]2CC[C@](O)(CC#N)C2)n1 ZINC000592147968 342668220 /nfs/dbraw/zinc/66/82/20/342668220.db2.gz UVWKTLDDOVLZCV-ZWNOBZJWSA-N 1 2 264.329 1.604 20 30 CDEDLO CC(C)c1noc([C@@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592147967 342668257 /nfs/dbraw/zinc/66/82/57/342668257.db2.gz UVWKTLDDOVLZCV-MFKMUULPSA-N 1 2 264.329 1.604 20 30 CDEDLO CC(C)c1noc([C@@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592147967 342668258 /nfs/dbraw/zinc/66/82/58/342668258.db2.gz UVWKTLDDOVLZCV-MFKMUULPSA-N 1 2 264.329 1.604 20 30 CDEDLO Cc1cc(C)cc(NC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592149717 342668558 /nfs/dbraw/zinc/66/85/58/342668558.db2.gz VDUJGJWCFWNRPK-INIZCTEOSA-N 1 2 287.363 1.592 20 30 CDEDLO Cc1cc(C)cc(NC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592149717 342668559 /nfs/dbraw/zinc/66/85/59/342668559.db2.gz VDUJGJWCFWNRPK-INIZCTEOSA-N 1 2 287.363 1.592 20 30 CDEDLO COc1cc(C)nc(C[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592152271 342669355 /nfs/dbraw/zinc/66/93/55/342669355.db2.gz WTYDYELMWGOACK-CQSZACIVSA-N 1 2 261.325 1.249 20 30 CDEDLO COc1cc(C)nc(C[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592152271 342669356 /nfs/dbraw/zinc/66/93/56/342669356.db2.gz WTYDYELMWGOACK-CQSZACIVSA-N 1 2 261.325 1.249 20 30 CDEDLO CC[C@]1(C)C[N@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000592509020 342699874 /nfs/dbraw/zinc/69/98/74/342699874.db2.gz FDBUOQZJFOZBAX-OAHLLOKOSA-N 1 2 285.351 1.602 20 30 CDEDLO CC[C@]1(C)C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000592509020 342699875 /nfs/dbraw/zinc/69/98/75/342699875.db2.gz FDBUOQZJFOZBAX-OAHLLOKOSA-N 1 2 285.351 1.602 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000562898703 361910675 /nfs/dbraw/zinc/91/06/75/361910675.db2.gz POYIUHAZEHYOCL-OLZOCXBDSA-N 1 2 286.335 1.477 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000594009009 342862931 /nfs/dbraw/zinc/86/29/31/342862931.db2.gz WLBOBPPCBFIERK-UONOGXRCSA-N 1 2 287.363 1.388 20 30 CDEDLO N#Cc1c(NC(=O)CCCn2cc[nH+]c2)n[nH]c1C1CC1 ZINC000588767347 342221144 /nfs/dbraw/zinc/22/11/44/342221144.db2.gz QIEMHRIZBQUSEZ-UHFFFAOYSA-N 1 2 284.323 1.774 20 30 CDEDLO N#Cc1nccc(NCc2cc[nH+]c(N3CCCC3)c2)n1 ZINC000594543157 342915685 /nfs/dbraw/zinc/91/56/85/342915685.db2.gz ZMKPJUNNFXOGNH-UHFFFAOYSA-N 1 2 280.335 1.377 20 30 CDEDLO Cc1oc(NC(=O)CN2CCn3c[nH+]cc3C2)c(C#N)c1C ZINC000595493136 343077099 /nfs/dbraw/zinc/07/70/99/343077099.db2.gz DDZPFOGBZKXZRN-UHFFFAOYSA-N 1 2 299.334 1.419 20 30 CDEDLO CN(CC(=O)NC1(C#N)CCCCC1)Cc1c[nH+]c[nH]1 ZINC000595598190 343114839 /nfs/dbraw/zinc/11/48/39/343114839.db2.gz YFOVIFCPBWLQBJ-UHFFFAOYSA-N 1 2 275.356 1.184 20 30 CDEDLO CN(CC(=O)NC1(C#N)CCCCC1)Cc1c[nH]c[nH+]1 ZINC000595598190 343114840 /nfs/dbraw/zinc/11/48/40/343114840.db2.gz YFOVIFCPBWLQBJ-UHFFFAOYSA-N 1 2 275.356 1.184 20 30 CDEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCC#N)cc1F ZINC000595753095 343153378 /nfs/dbraw/zinc/15/33/78/343153378.db2.gz PFXABAJRFYNNTH-ZDUSSCGKSA-N 1 2 291.326 1.611 20 30 CDEDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)NCC#N)cc1F ZINC000595753095 343153380 /nfs/dbraw/zinc/15/33/80/343153380.db2.gz PFXABAJRFYNNTH-ZDUSSCGKSA-N 1 2 291.326 1.611 20 30 CDEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)NCc1ccccc1OC ZINC000081054351 342363815 /nfs/dbraw/zinc/36/38/15/342363815.db2.gz BQVZHNNVQQYGSN-ZDUSSCGKSA-N 1 2 289.379 1.935 20 30 CDEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)NCc1ccccc1OC ZINC000081054351 342363816 /nfs/dbraw/zinc/36/38/16/342363816.db2.gz BQVZHNNVQQYGSN-ZDUSSCGKSA-N 1 2 289.379 1.935 20 30 CDEDLO N#Cc1ccc(-c2nnc(Cn3cc[nH+]c3)o2)cc1 ZINC000072558647 349800853 /nfs/dbraw/zinc/80/08/53/349800853.db2.gz VHGGWWPPVQDUMJ-UHFFFAOYSA-N 1 2 251.249 1.853 20 30 CDEDLO N#Cc1cnnc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000596215124 343268597 /nfs/dbraw/zinc/26/85/97/343268597.db2.gz QCZLLTWAEQICGA-CYBMUJFWSA-N 1 2 267.292 1.401 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089968730 342392670 /nfs/dbraw/zinc/39/26/70/342392670.db2.gz ONWGIFZFKNGQFU-SECBINFHSA-N 1 2 280.290 1.066 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000596823390 343399984 /nfs/dbraw/zinc/39/99/84/343399984.db2.gz ORNJHRCKCCNAMB-IJLUTSLNSA-N 1 2 260.341 1.532 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C(=O)OC ZINC000597118387 343458549 /nfs/dbraw/zinc/45/85/49/343458549.db2.gz XXNUFHFWBHQPKV-MROQNXINSA-N 1 2 253.342 1.509 20 30 CDEDLO N#Cc1csc(C[NH+]2CCN([C@@H]3CCOC3)CC2)c1 ZINC000597203802 343473289 /nfs/dbraw/zinc/47/32/89/343473289.db2.gz XPSOCOBMRSALMP-CYBMUJFWSA-N 1 2 277.393 1.526 20 30 CDEDLO N#Cc1ccc(CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000597890446 343659292 /nfs/dbraw/zinc/65/92/92/343659292.db2.gz RGXPRYPRKAWUES-OAHLLOKOSA-N 1 2 294.358 1.676 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)Cc1ccc(C#N)cc1 ZINC000178092792 529897682 /nfs/dbraw/zinc/89/76/82/529897682.db2.gz PGZGFFNKJQNMMC-UHFFFAOYSA-N 1 2 282.347 1.846 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(CC2CC2)CC1 ZINC000598586408 343835156 /nfs/dbraw/zinc/83/51/56/343835156.db2.gz TYJKUTYIJZDRJX-CQSZACIVSA-N 1 2 265.401 1.315 20 30 CDEDLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](O)CC(C)(C)C#N ZINC000598590221 343836502 /nfs/dbraw/zinc/83/65/02/343836502.db2.gz MSZBHJMWJREXNN-NSHDSACASA-N 1 2 270.373 1.561 20 30 CDEDLO C[N@H+](CC(=O)OC(C)(C)C)C[C@@H](O)CC(C)(C)C#N ZINC000598590221 343836504 /nfs/dbraw/zinc/83/65/04/343836504.db2.gz MSZBHJMWJREXNN-NSHDSACASA-N 1 2 270.373 1.561 20 30 CDEDLO Cc1[nH+]c2n(c1C)CCN(C[C@@H](O)CC(C)(C)C#N)C2 ZINC000598590538 343837525 /nfs/dbraw/zinc/83/75/25/343837525.db2.gz OAYYJICCUQRPKU-ZDUSSCGKSA-N 1 2 276.384 1.616 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccsc1Cl ZINC000598836368 343914477 /nfs/dbraw/zinc/91/44/77/343914477.db2.gz HSAUJDYUKRUYOH-LLVKDONJSA-N 1 2 271.773 1.975 20 30 CDEDLO CN(C[C@@H]1CCCCO1)C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330170256 529945216 /nfs/dbraw/zinc/94/52/16/529945216.db2.gz BSKNUUWUNZVMSD-STQMWFEESA-N 1 2 292.383 1.613 20 30 CDEDLO N#Cc1ccc(OCC(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000598947233 343923704 /nfs/dbraw/zinc/92/37/04/343923704.db2.gz KJMIZORPCJHQOB-CYBMUJFWSA-N 1 2 296.330 1.265 20 30 CDEDLO Cc1cc(C)c(C#N)c(NC[C@@H]2COCC[N@H+]2C)n1 ZINC000599161071 343971169 /nfs/dbraw/zinc/97/11/69/343971169.db2.gz RMBDFKVWABIYHT-GFCCVEGCSA-N 1 2 260.341 1.313 20 30 CDEDLO Cc1cc(C)c(C#N)c(NC[C@@H]2COCC[N@@H+]2C)n1 ZINC000599161071 343971172 /nfs/dbraw/zinc/97/11/72/343971172.db2.gz RMBDFKVWABIYHT-GFCCVEGCSA-N 1 2 260.341 1.313 20 30 CDEDLO Cc1ccc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)cc1C#N ZINC000599401640 344043406 /nfs/dbraw/zinc/04/34/06/344043406.db2.gz YXZZCAFQFGNSED-AWEZNQCLSA-N 1 2 278.377 1.486 20 30 CDEDLO Cc1ccc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)cc1C#N ZINC000599401640 344043408 /nfs/dbraw/zinc/04/34/08/344043408.db2.gz YXZZCAFQFGNSED-AWEZNQCLSA-N 1 2 278.377 1.486 20 30 CDEDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599418775 344051818 /nfs/dbraw/zinc/05/18/18/344051818.db2.gz YGNWJGPHEBFQFO-HNNXBMFYSA-N 1 2 288.347 1.631 20 30 CDEDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599418775 344051821 /nfs/dbraw/zinc/05/18/21/344051821.db2.gz YGNWJGPHEBFQFO-HNNXBMFYSA-N 1 2 288.347 1.631 20 30 CDEDLO CCCC[N@H+](CC1(C#N)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000331571303 362313867 /nfs/dbraw/zinc/31/38/67/362313867.db2.gz YQIIKXILELNKTM-LBPRGKRZSA-N 1 2 270.398 1.579 20 30 CDEDLO CCCC[N@@H+](CC1(C#N)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000331571303 362313873 /nfs/dbraw/zinc/31/38/73/362313873.db2.gz YQIIKXILELNKTM-LBPRGKRZSA-N 1 2 270.398 1.579 20 30 CDEDLO C=C(CC)C[N@@H+]1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000599590516 344087556 /nfs/dbraw/zinc/08/75/56/344087556.db2.gz NVGNUBDPAZQEGO-NWDGAFQWSA-N 1 2 269.341 1.379 20 30 CDEDLO C=C(CC)C[N@H+]1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)OC ZINC000599590516 344087559 /nfs/dbraw/zinc/08/75/59/344087559.db2.gz NVGNUBDPAZQEGO-NWDGAFQWSA-N 1 2 269.341 1.379 20 30 CDEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCCCNC1=O ZINC000159587704 362378107 /nfs/dbraw/zinc/37/81/07/362378107.db2.gz LTAJXJVMMIPXLT-CQSZACIVSA-N 1 2 275.327 1.798 20 30 CDEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCCCNC1=O ZINC000159587704 362378112 /nfs/dbraw/zinc/37/81/12/362378112.db2.gz LTAJXJVMMIPXLT-CQSZACIVSA-N 1 2 275.327 1.798 20 30 CDEDLO C[C@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccco1 ZINC000602332030 344402108 /nfs/dbraw/zinc/40/21/08/344402108.db2.gz JDBISIWMLHMBJG-RISCZKNCSA-N 1 2 263.341 1.733 20 30 CDEDLO Cn1nc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c2ccccc21 ZINC000602331421 344402115 /nfs/dbraw/zinc/40/21/15/344402115.db2.gz DCQMPWIGILGQBV-HNNXBMFYSA-N 1 2 285.351 1.147 20 30 CDEDLO N#C[C@]1(F)CCN(Cc2cc3c(c[nH+]2)OCCO3)C1 ZINC000602630439 344505930 /nfs/dbraw/zinc/50/59/30/344505930.db2.gz PNYUCRMGEZRQLI-CYBMUJFWSA-N 1 2 263.272 1.290 20 30 CDEDLO N#CCCN1CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC000602750128 344579429 /nfs/dbraw/zinc/57/94/29/344579429.db2.gz CNLOJGCQVRLBQA-UHFFFAOYSA-N 1 2 253.733 1.964 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)NCc1cccs1 ZINC000602861253 344616811 /nfs/dbraw/zinc/61/68/11/344616811.db2.gz FSIQVMATPUPFBM-NXEZZACHSA-N 1 2 251.355 1.645 20 30 CDEDLO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1CC1(CC#N)CC1 ZINC000602841034 344621696 /nfs/dbraw/zinc/62/16/96/344621696.db2.gz PRXSWCMMPSQVQG-GFCCVEGCSA-N 1 2 270.398 1.579 20 30 CDEDLO CS(=O)(=O)C[C@H]1CCCC[N@H+]1CC1(CC#N)CC1 ZINC000602841034 344621698 /nfs/dbraw/zinc/62/16/98/344621698.db2.gz PRXSWCMMPSQVQG-GFCCVEGCSA-N 1 2 270.398 1.579 20 30 CDEDLO COC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)CC#N ZINC000602869856 344640570 /nfs/dbraw/zinc/64/05/70/344640570.db2.gz PSYUTPGHWNMUKO-SNVBAGLBSA-N 1 2 275.308 1.303 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@H](CC)C(=O)OC(C)(C)C)nn1 ZINC000603203441 344734643 /nfs/dbraw/zinc/73/46/43/344734643.db2.gz XEBZXKCZULVGLX-CYBMUJFWSA-N 1 2 292.383 1.684 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H](C)c1ccccc1F ZINC000052073383 345228775 /nfs/dbraw/zinc/22/87/75/345228775.db2.gz YDBBKIVFRROSLW-LLVKDONJSA-N 1 2 293.342 1.830 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@H](C)c1ccccc1F ZINC000052073383 345228778 /nfs/dbraw/zinc/22/87/78/345228778.db2.gz YDBBKIVFRROSLW-LLVKDONJSA-N 1 2 293.342 1.830 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617722109 345926196 /nfs/dbraw/zinc/92/61/96/345926196.db2.gz YCJHHMHOJMAOLX-OLZOCXBDSA-N 1 2 268.401 1.814 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617722109 345926197 /nfs/dbraw/zinc/92/61/97/345926197.db2.gz YCJHHMHOJMAOLX-OLZOCXBDSA-N 1 2 268.401 1.814 20 30 CDEDLO C[C@@H]1C[N@H+](CCNc2c(C#N)nnc3ccccc32)CCO1 ZINC000610130396 346205362 /nfs/dbraw/zinc/20/53/62/346205362.db2.gz SJNFYHKDCKUMEM-GFCCVEGCSA-N 1 2 297.362 1.634 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNc2c(C#N)nnc3ccccc32)CCO1 ZINC000610130396 346205364 /nfs/dbraw/zinc/20/53/64/346205364.db2.gz SJNFYHKDCKUMEM-GFCCVEGCSA-N 1 2 297.362 1.634 20 30 CDEDLO C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccccc1F ZINC000583696549 346217184 /nfs/dbraw/zinc/21/71/84/346217184.db2.gz AKMPDOBMIYOOAX-NHYWBVRUSA-N 1 2 277.343 1.889 20 30 CDEDLO N#Cc1ccc(C(=O)NCC[NH+]2Cc3ccccc3C2)[nH]1 ZINC000611029581 346583983 /nfs/dbraw/zinc/58/39/83/346583983.db2.gz XCANRQRMSRBOIC-UHFFFAOYSA-N 1 2 280.331 1.632 20 30 CDEDLO CNC(=O)c1cccc(C[NH+]2CCN(CCC#N)CC2)c1 ZINC000611173826 346627403 /nfs/dbraw/zinc/62/74/03/346627403.db2.gz MMGUWUFEOMCGBL-UHFFFAOYSA-N 1 2 286.379 1.077 20 30 CDEDLO C[C@@H](NC(=O)NCC1(C#N)CCC1)[C@H](C)[NH+]1CCOCC1 ZINC000419435549 346641714 /nfs/dbraw/zinc/64/17/14/346641714.db2.gz AFLOKZYLZWWNGH-OLZOCXBDSA-N 1 2 294.399 1.089 20 30 CDEDLO CC[N@H+](CCC#N)Cc1cccc(NS(C)(=O)=O)c1 ZINC000611253868 346721230 /nfs/dbraw/zinc/72/12/30/346721230.db2.gz SQTFFMSOKWCHBO-UHFFFAOYSA-N 1 2 281.381 1.794 20 30 CDEDLO CC[N@@H+](CCC#N)Cc1cccc(NS(C)(=O)=O)c1 ZINC000611253868 346721232 /nfs/dbraw/zinc/72/12/32/346721232.db2.gz SQTFFMSOKWCHBO-UHFFFAOYSA-N 1 2 281.381 1.794 20 30 CDEDLO N#Cc1cc(C(=O)NCc2c[nH+]c[nH]2)ccc1Cl ZINC000612606010 347222059 /nfs/dbraw/zinc/22/20/59/347222059.db2.gz AFOVFUXGNWYNNV-UHFFFAOYSA-N 1 2 260.684 1.865 20 30 CDEDLO N#Cc1cc(C(=O)NCc2c[nH]c[nH+]2)ccc1Cl ZINC000612606010 347222061 /nfs/dbraw/zinc/22/20/61/347222061.db2.gz AFOVFUXGNWYNNV-UHFFFAOYSA-N 1 2 260.684 1.865 20 30 CDEDLO C=CCC1(C(=O)NC[C@H]2C[NH+]3CCN2CC3)CCCCC1 ZINC000450185212 362801123 /nfs/dbraw/zinc/80/11/23/362801123.db2.gz INYYLJRDJMWLRG-HNNXBMFYSA-N 1 2 291.439 1.629 20 30 CDEDLO C=C[C@H](Sc1nc(N)cc(CC)[nH+]1)C(=O)OC ZINC000619689356 347767201 /nfs/dbraw/zinc/76/72/01/347767201.db2.gz LBLYIVRCJLWZMS-QMMMGPOBSA-N 1 2 253.327 1.271 20 30 CDEDLO C=C[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1C(C)C)C(=O)OC ZINC000619702135 347893556 /nfs/dbraw/zinc/89/35/56/347893556.db2.gz GWXRZAJUPUIJEZ-RWMBFGLXSA-N 1 2 255.358 1.755 20 30 CDEDLO C=C[C@H](O)C(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000614968844 348289314 /nfs/dbraw/zinc/28/93/14/348289314.db2.gz MLBHRGXPBAOPOS-HNNXBMFYSA-N 1 2 299.374 1.891 20 30 CDEDLO N#C[C@]1(F)CCN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000615581310 348596960 /nfs/dbraw/zinc/59/69/60/348596960.db2.gz JXVOSOQJZPPTKF-CQSZACIVSA-N 1 2 272.283 1.341 20 30 CDEDLO CCOC(=O)c1cnn(Cc2[nH+]ccn2C(F)F)c1C#N ZINC000273467375 192163625 /nfs/dbraw/zinc/16/36/25/192163625.db2.gz JROKTTNYYZIHBD-UHFFFAOYSA-N 1 2 295.249 1.571 20 30 CDEDLO COc1ccc(OC)c(C[NH+]2CCN(CCC#N)CC2)c1 ZINC000046437915 348790876 /nfs/dbraw/zinc/79/08/76/348790876.db2.gz APDUTKMXHMOVAN-UHFFFAOYSA-N 1 2 289.379 1.735 20 30 CDEDLO Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C[C@H](C)C#N ZINC000064797343 348947003 /nfs/dbraw/zinc/94/70/03/348947003.db2.gz PPIXTRYEWLPYEI-OCCSQVGLSA-N 1 2 262.353 1.826 20 30 CDEDLO Cc1ccccc1OC[C@@H](O)C[N@H+](C)C[C@H](C)C#N ZINC000064797343 348947006 /nfs/dbraw/zinc/94/70/06/348947006.db2.gz PPIXTRYEWLPYEI-OCCSQVGLSA-N 1 2 262.353 1.826 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000069339720 349098981 /nfs/dbraw/zinc/09/89/81/349098981.db2.gz PTLDYBVIXJFDPL-ZDUSSCGKSA-N 1 2 287.363 1.974 20 30 CDEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)n2)C[C@H](C2CC2)O1 ZINC000602646527 350136075 /nfs/dbraw/zinc/13/60/75/350136075.db2.gz ASWDBDCEIPBNSX-XHDPSFHLSA-N 1 2 257.337 1.953 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)n2)C[C@H](C2CC2)O1 ZINC000602646527 350136079 /nfs/dbraw/zinc/13/60/79/350136079.db2.gz ASWDBDCEIPBNSX-XHDPSFHLSA-N 1 2 257.337 1.953 20 30 CDEDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccc(C#N)cn1 ZINC000602846194 350154786 /nfs/dbraw/zinc/15/47/86/350154786.db2.gz CLCLTVLQWMMPST-IJLUTSLNSA-N 1 2 272.352 1.393 20 30 CDEDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@H+]1Cc1ccc(C#N)cn1 ZINC000602846194 350154791 /nfs/dbraw/zinc/15/47/91/350154791.db2.gz CLCLTVLQWMMPST-IJLUTSLNSA-N 1 2 272.352 1.393 20 30 CDEDLO CC[C@H]1C(=O)NCC[N@H+]1CCOc1ccccc1C#N ZINC000106361345 186109348 /nfs/dbraw/zinc/10/93/48/186109348.db2.gz NBMPYIQVVBBITO-ZDUSSCGKSA-N 1 2 273.336 1.147 20 30 CDEDLO CC[C@H]1C(=O)NCC[N@@H+]1CCOc1ccccc1C#N ZINC000106361345 186109350 /nfs/dbraw/zinc/10/93/50/186109350.db2.gz NBMPYIQVVBBITO-ZDUSSCGKSA-N 1 2 273.336 1.147 20 30 CDEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccsc1 ZINC000007927074 350506179 /nfs/dbraw/zinc/50/61/79/350506179.db2.gz ZOKWDFDJWOSSKV-AWEZNQCLSA-N 1 2 277.393 1.988 20 30 CDEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccsc1 ZINC000007927074 350506181 /nfs/dbraw/zinc/50/61/81/350506181.db2.gz ZOKWDFDJWOSSKV-AWEZNQCLSA-N 1 2 277.393 1.988 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](CO)C2)c(C#N)c1C ZINC000051887411 362981867 /nfs/dbraw/zinc/98/18/67/362981867.db2.gz CBSPENCQJDYVKF-LLVKDONJSA-N 1 2 277.324 1.021 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](CO)C2)c(C#N)c1C ZINC000051887411 362981871 /nfs/dbraw/zinc/98/18/71/362981871.db2.gz CBSPENCQJDYVKF-LLVKDONJSA-N 1 2 277.324 1.021 20 30 CDEDLO C[C@H]1C[C@@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)c2[nH+]ccn21 ZINC000333442941 362993776 /nfs/dbraw/zinc/99/37/76/362993776.db2.gz WXAVBLYHCHVACV-NNYUYHANSA-N 1 2 273.340 1.880 20 30 CDEDLO COCC[N@H+](CCC#N)Cc1cn(C)nc1-c1ccncc1 ZINC000093100205 351316330 /nfs/dbraw/zinc/31/63/30/351316330.db2.gz NRCNQCJEVASHFJ-UHFFFAOYSA-N 1 2 299.378 1.844 20 30 CDEDLO COCC[N@@H+](CCC#N)Cc1cn(C)nc1-c1ccncc1 ZINC000093100205 351316334 /nfs/dbraw/zinc/31/63/34/351316334.db2.gz NRCNQCJEVASHFJ-UHFFFAOYSA-N 1 2 299.378 1.844 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000291441337 198023121 /nfs/dbraw/zinc/02/31/21/198023121.db2.gz ZHUJYTZIVNNTCX-INIZCTEOSA-N 1 2 291.395 1.755 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000157795835 188339063 /nfs/dbraw/zinc/33/90/63/188339063.db2.gz RGFSUJDZXNRLIP-UHFFFAOYSA-N 1 2 260.337 1.678 20 30 CDEDLO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000330235985 291002754 /nfs/dbraw/zinc/00/27/54/291002754.db2.gz UDQVXQRMACJTEU-NNYUYHANSA-N 1 2 288.413 1.249 20 30 CDEDLO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000330235985 291002759 /nfs/dbraw/zinc/00/27/59/291002759.db2.gz UDQVXQRMACJTEU-NNYUYHANSA-N 1 2 288.413 1.249 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000336307275 363337586 /nfs/dbraw/zinc/33/75/86/363337586.db2.gz IVFOPBKHQKDTKH-CHWSQXEVSA-N 1 2 266.385 1.520 20 30 CDEDLO N#Cc1cc([N+](=O)[O-])cnc1N1CCn2c[nH+]cc2C1 ZINC000377994138 283114491 /nfs/dbraw/zinc/11/44/91/283114491.db2.gz SRMSRADINSXDQU-UHFFFAOYSA-N 1 2 270.252 1.078 20 30 CDEDLO C=CCCOCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000143292778 356711996 /nfs/dbraw/zinc/71/19/96/356711996.db2.gz NXTRWVAQDOLJID-UHFFFAOYSA-N 1 2 294.420 1.985 20 30 CDEDLO Cc1noc(C)c1C[NH+]=C([O-])N1CCn2cc[nH+]c2C1 ZINC000329854560 538708308 /nfs/dbraw/zinc/70/83/08/538708308.db2.gz STIMONXCWVMPPD-UHFFFAOYSA-N 1 2 275.312 1.418 20 30 CDEDLO C#CC[N@@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000298616677 356905564 /nfs/dbraw/zinc/90/55/64/356905564.db2.gz UJYWSUHPYCDNPT-AWEZNQCLSA-N 1 2 253.305 1.229 20 30 CDEDLO C#CC[N@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000298616677 356905567 /nfs/dbraw/zinc/90/55/67/356905567.db2.gz UJYWSUHPYCDNPT-AWEZNQCLSA-N 1 2 253.305 1.229 20 30 CDEDLO C#CC[N@@H+](CC(=O)N(C)CC)Cc1ccc(F)cc1 ZINC000299361985 357049947 /nfs/dbraw/zinc/04/99/47/357049947.db2.gz VMDKBIYLHMLGDL-UHFFFAOYSA-N 1 2 262.328 1.739 20 30 CDEDLO C#CC[N@H+](CC(=O)N(C)CC)Cc1ccc(F)cc1 ZINC000299361985 357049951 /nfs/dbraw/zinc/04/99/51/357049951.db2.gz VMDKBIYLHMLGDL-UHFFFAOYSA-N 1 2 262.328 1.739 20 30 CDEDLO C=CCOC[C@H]([NH2+]C1CCC2(CCCO2)CC1)C(=O)OC ZINC000564815713 357167329 /nfs/dbraw/zinc/16/73/29/357167329.db2.gz XTRBAZRCPVISKC-BBBYJDLNSA-N 1 2 297.395 1.812 20 30 CDEDLO CC[C@@H](C)[C@H](C)[NH2+]CCNC(O)=C1N=CC=CC1=O ZINC000180876524 357291343 /nfs/dbraw/zinc/29/13/43/357291343.db2.gz OIDDWFLYPJQKLQ-FEXCLKTESA-N 1 2 265.357 1.537 20 30 CDEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3cccnc3)CC2)c[nH]1 ZINC000181181336 357321772 /nfs/dbraw/zinc/32/17/72/357321772.db2.gz FPJCPDCIIGREAU-UHFFFAOYSA-N 1 2 295.346 1.239 20 30 CDEDLO COC[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1ccco1 ZINC000184586975 357488531 /nfs/dbraw/zinc/48/85/31/357488531.db2.gz XLMCHFMUXJEKNW-NWDGAFQWSA-N 1 2 279.340 1.317 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+](CCC)CC(=O)OC(C)(C)C ZINC000186300579 357636065 /nfs/dbraw/zinc/63/60/65/357636065.db2.gz VQOULMGCSCHZFR-GFCCVEGCSA-N 1 2 284.400 1.731 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](CCC)CC(=O)OC(C)(C)C ZINC000186300579 357636070 /nfs/dbraw/zinc/63/60/70/357636070.db2.gz VQOULMGCSCHZFR-GFCCVEGCSA-N 1 2 284.400 1.731 20 30 CDEDLO CC(C)NC(=O)C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000053906521 357733520 /nfs/dbraw/zinc/73/35/20/357733520.db2.gz XTADZKWTPUISSJ-UHFFFAOYSA-N 1 2 263.316 1.654 20 30 CDEDLO CC(C)NC(=O)C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000053906521 357733524 /nfs/dbraw/zinc/73/35/24/357733524.db2.gz XTADZKWTPUISSJ-UHFFFAOYSA-N 1 2 263.316 1.654 20 30 CDEDLO C[C@H](C(=O)NCC(C)(C)C#N)[NH+]1CCSCC1 ZINC000408174831 358548787 /nfs/dbraw/zinc/54/87/87/358548787.db2.gz VDOBGCREWVPRKN-SNVBAGLBSA-N 1 2 255.387 1.090 20 30 CDEDLO N#Cc1csc(C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000290930000 358776781 /nfs/dbraw/zinc/77/67/81/358776781.db2.gz MEEAUDYHZGBVFL-UHFFFAOYSA-N 1 2 258.306 1.472 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000494225562 366502890 /nfs/dbraw/zinc/50/28/90/366502890.db2.gz AVBLAKFCCGQLSJ-HIFRSBDPSA-N 1 2 293.411 1.600 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000494225562 366502893 /nfs/dbraw/zinc/50/28/93/366502893.db2.gz AVBLAKFCCGQLSJ-HIFRSBDPSA-N 1 2 293.411 1.600 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000335142975 358971035 /nfs/dbraw/zinc/97/10/35/358971035.db2.gz RSHOXNIGKOXNQY-KBPBESRZSA-N 1 2 280.412 1.910 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1[nH+]ccn1C ZINC000161968442 359141065 /nfs/dbraw/zinc/14/10/65/359141065.db2.gz KUMXFZWWVJVPDF-GFCCVEGCSA-N 1 2 297.362 1.751 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000266954824 359346524 /nfs/dbraw/zinc/34/65/24/359346524.db2.gz VLBWMBXLWRYMGT-UHFFFAOYSA-N 1 2 299.374 1.472 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000266954824 359346528 /nfs/dbraw/zinc/34/65/28/359346528.db2.gz VLBWMBXLWRYMGT-UHFFFAOYSA-N 1 2 299.374 1.472 20 30 CDEDLO C#CC[N@@H+](CC)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000266902672 359347744 /nfs/dbraw/zinc/34/77/44/359347744.db2.gz GXSKQZOJUSOHBA-GFCCVEGCSA-N 1 2 290.363 1.944 20 30 CDEDLO C#CC[N@H+](CC)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000266902672 359347748 /nfs/dbraw/zinc/34/77/48/359347748.db2.gz GXSKQZOJUSOHBA-GFCCVEGCSA-N 1 2 290.363 1.944 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)C[C@@H](O)C(F)(F)F)n1 ZINC000279750854 359595123 /nfs/dbraw/zinc/59/51/23/359595123.db2.gz QCYYGIXMQHLDKU-LLVKDONJSA-N 1 2 275.274 1.261 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)C[C@@H](O)C(F)(F)F)n1 ZINC000279750854 359595126 /nfs/dbraw/zinc/59/51/26/359595126.db2.gz QCYYGIXMQHLDKU-LLVKDONJSA-N 1 2 275.274 1.261 20 30 CDEDLO CCn1cc[nH+]c1CNC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000297146954 200097735 /nfs/dbraw/zinc/09/77/35/200097735.db2.gz IRXRDPYONQBJQY-UHFFFAOYSA-N 1 2 297.314 1.300 20 30 CDEDLO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057907509 360167082 /nfs/dbraw/zinc/16/70/82/360167082.db2.gz GQOGEEVUZYFNKL-TZMCWYRMSA-N 1 2 263.385 1.917 20 30 CDEDLO Cn1c2ccccc2[nH+]c1CCCNc1cc(C#N)ncn1 ZINC000572319596 360259268 /nfs/dbraw/zinc/25/92/68/360259268.db2.gz HLLSGQXYWHFZCV-UHFFFAOYSA-N 1 2 292.346 1.702 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000177180800 189035007 /nfs/dbraw/zinc/03/50/07/189035007.db2.gz HLZJUDCATGSMHI-UHFFFAOYSA-N 1 2 260.337 1.726 20 30 CDEDLO CC[N@@H+](CC(=O)N(C)CC(F)(F)F)C[C@H](C)C#N ZINC000098134600 360353200 /nfs/dbraw/zinc/35/32/00/360353200.db2.gz DIYFJLGOEGCIEM-SECBINFHSA-N 1 2 265.279 1.489 20 30 CDEDLO CC[N@H+](CC(=O)N(C)CC(F)(F)F)C[C@H](C)C#N ZINC000098134600 360353205 /nfs/dbraw/zinc/35/32/05/360353205.db2.gz DIYFJLGOEGCIEM-SECBINFHSA-N 1 2 265.279 1.489 20 30 CDEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000348553075 360396289 /nfs/dbraw/zinc/39/62/89/360396289.db2.gz MHMWAJSWCXOZRF-TZMCWYRMSA-N 1 2 264.373 1.665 20 30 CDEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000348553075 360396294 /nfs/dbraw/zinc/39/62/94/360396294.db2.gz MHMWAJSWCXOZRF-TZMCWYRMSA-N 1 2 264.373 1.665 20 30 CDEDLO Cn1cc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)ccc1=O ZINC000328989273 360885465 /nfs/dbraw/zinc/88/54/65/360885465.db2.gz RVQLRSYYWZFXMY-SNVBAGLBSA-N 1 2 272.308 1.432 20 30 CDEDLO C[N@H+](C[C@@H]1CCCS(=O)(=O)C1)CC(C)(C)C#N ZINC000433297085 361228017 /nfs/dbraw/zinc/22/80/17/361228017.db2.gz VBIDZRYGTKBKNT-NSHDSACASA-N 1 2 258.387 1.293 20 30 CDEDLO C[N@@H+](C[C@@H]1CCCS(=O)(=O)C1)CC(C)(C)C#N ZINC000433297085 361228022 /nfs/dbraw/zinc/22/80/22/361228022.db2.gz VBIDZRYGTKBKNT-NSHDSACASA-N 1 2 258.387 1.293 20 30 CDEDLO C[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)C[C@H](CO)O1 ZINC000191718039 361269188 /nfs/dbraw/zinc/26/91/88/361269188.db2.gz BKEHJSXJINAVJA-IUODEOHRSA-N 1 2 276.336 1.019 20 30 CDEDLO C[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)C[C@H](CO)O1 ZINC000191718039 361269191 /nfs/dbraw/zinc/26/91/91/361269191.db2.gz BKEHJSXJINAVJA-IUODEOHRSA-N 1 2 276.336 1.019 20 30 CDEDLO CC(C)(C)C[N@H+](CCC#N)C[C@@H]1CCS(=O)(=O)C1 ZINC000434542904 361335351 /nfs/dbraw/zinc/33/53/51/361335351.db2.gz CZTZINNDENQAND-LBPRGKRZSA-N 1 2 272.414 1.683 20 30 CDEDLO CC(C)(C)C[N@@H+](CCC#N)C[C@@H]1CCS(=O)(=O)C1 ZINC000434542904 361335353 /nfs/dbraw/zinc/33/53/53/361335353.db2.gz CZTZINNDENQAND-LBPRGKRZSA-N 1 2 272.414 1.683 20 30 CDEDLO N#C[C@@]1(C(=O)N2CC(n3cc[nH+]c3)C2)CC12CCCC2 ZINC000562521353 361552423 /nfs/dbraw/zinc/55/24/23/361552423.db2.gz NEPIXIQJCQOHOX-OAHLLOKOSA-N 1 2 270.336 1.740 20 30 CDEDLO N#Cc1ccc(CNc2[nH+]cnc(-n3cccn3)c2N)cc1 ZINC000301783485 201193471 /nfs/dbraw/zinc/19/34/71/201193471.db2.gz KLXSZOJODHDXBL-UHFFFAOYSA-N 1 2 291.318 1.728 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)Nc2nc(C3CCC3)n[nH]2)CC1 ZINC000184571519 189389540 /nfs/dbraw/zinc/38/95/40/189389540.db2.gz RXXNJZPSPBLPBQ-UHFFFAOYSA-N 1 2 287.367 1.356 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)Nc2nnc(C3CCC3)[nH]2)CC1 ZINC000184571519 189389541 /nfs/dbraw/zinc/38/95/41/189389541.db2.gz RXXNJZPSPBLPBQ-UHFFFAOYSA-N 1 2 287.367 1.356 20 30 CDEDLO CS[C@@H](C)CCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000570686235 363881199 /nfs/dbraw/zinc/88/11/99/363881199.db2.gz BANMSTWJTHVCEV-CMPLNLGQSA-N 1 2 257.403 1.478 20 30 CDEDLO COc1cc(C#N)ccc1NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000545295667 363948551 /nfs/dbraw/zinc/94/85/51/363948551.db2.gz WRFFPWQGLPSAMS-NSHDSACASA-N 1 2 299.334 1.974 20 30 CDEDLO C[C@H]1C[C@H](NC(=O)COc2ccccc2C#N)c2[nH+]ccn21 ZINC000456356539 364251475 /nfs/dbraw/zinc/25/14/75/364251475.db2.gz BFKQRNGEKHUSES-AAEUAGOBSA-N 1 2 296.330 1.956 20 30 CDEDLO CCCCNc1cc(C)[nH+]c(NCC2(C#N)CC2)n1 ZINC000601160507 364594580 /nfs/dbraw/zinc/59/45/80/364594580.db2.gz YPKNQUUOTJIVCY-UHFFFAOYSA-N 1 2 259.357 1.557 20 30 CDEDLO C=C[C@H]1CCCCN1c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000580148173 364716799 /nfs/dbraw/zinc/71/67/99/364716799.db2.gz MBSSGALMCZSBSK-KBPBESRZSA-N 1 2 288.395 1.983 20 30 CDEDLO C=C[C@H]1CCCCN1c1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000580148173 364716805 /nfs/dbraw/zinc/71/68/05/364716805.db2.gz MBSSGALMCZSBSK-KBPBESRZSA-N 1 2 288.395 1.983 20 30 CDEDLO Cn1cnc2cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccc21 ZINC000563960677 364787865 /nfs/dbraw/zinc/78/78/65/364787865.db2.gz QYCLSDRVGUDGQD-OAHLLOKOSA-N 1 2 285.351 1.147 20 30 CDEDLO CC1(C)CCC[N@H+](C[C@H]2CNc3c(C#N)cnn3C2)[C@H]1C#N ZINC000566678535 370790432 /nfs/dbraw/zinc/79/04/32/370790432.db2.gz GEDQLHCTCDHAJR-OCCSQVGLSA-N 1 2 298.394 1.811 20 30 CDEDLO CC1(C)CCC[N@@H+](C[C@H]2CNc3c(C#N)cnn3C2)[C@H]1C#N ZINC000566678535 370790434 /nfs/dbraw/zinc/79/04/34/370790434.db2.gz GEDQLHCTCDHAJR-OCCSQVGLSA-N 1 2 298.394 1.811 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(CC#N)c1 ZINC000563010659 365283147 /nfs/dbraw/zinc/28/31/47/365283147.db2.gz SXWVVNNONAFZEL-OAHLLOKOSA-N 1 2 272.352 1.371 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(CC#N)c1 ZINC000563010659 365283151 /nfs/dbraw/zinc/28/31/51/365283151.db2.gz SXWVVNNONAFZEL-OAHLLOKOSA-N 1 2 272.352 1.371 20 30 CDEDLO CC(C)(C)OC(=O)N1CC([NH2+]Cc2nc(C#N)cs2)C1 ZINC000386018507 366911239 /nfs/dbraw/zinc/91/12/39/366911239.db2.gz OECOGWJFBPMCOO-UHFFFAOYSA-N 1 2 294.380 1.724 20 30 CDEDLO CC[N@@H+](Cc1ccc2c(c1)NC(=O)CO2)C[C@@H](C)C#N ZINC000507584589 367012367 /nfs/dbraw/zinc/01/23/67/367012367.db2.gz RWNSSYPLAQLZBT-NSHDSACASA-N 1 2 273.336 1.999 20 30 CDEDLO CC[N@H+](Cc1ccc2c(c1)NC(=O)CO2)C[C@@H](C)C#N ZINC000507584589 367012372 /nfs/dbraw/zinc/01/23/72/367012372.db2.gz RWNSSYPLAQLZBT-NSHDSACASA-N 1 2 273.336 1.999 20 30 CDEDLO C[C@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528513150 367872762 /nfs/dbraw/zinc/87/27/62/367872762.db2.gz QALGTCPBSPIBQK-ZDUSSCGKSA-N 1 2 298.342 1.007 20 30 CDEDLO C[C@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528513150 367872765 /nfs/dbraw/zinc/87/27/65/367872765.db2.gz QALGTCPBSPIBQK-ZDUSSCGKSA-N 1 2 298.342 1.007 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000358783449 367901570 /nfs/dbraw/zinc/90/15/70/367901570.db2.gz CPVRUPJPKUDGNL-ZDUSSCGKSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000358783449 367901578 /nfs/dbraw/zinc/90/15/78/367901578.db2.gz CPVRUPJPKUDGNL-ZDUSSCGKSA-N 1 2 283.416 1.751 20 30 CDEDLO CC(C)[N@H+](C)CC(=O)Nc1n[nH]c(-c2ccccn2)n1 ZINC000067591972 368374496 /nfs/dbraw/zinc/37/44/96/368374496.db2.gz YZXAVVXGDMJAAL-UHFFFAOYSA-N 1 2 274.328 1.795 20 30 CDEDLO CC(C)[N@@H+](C)CC(=O)Nc1n[nH]c(-c2ccccn2)n1 ZINC000067591972 368374501 /nfs/dbraw/zinc/37/45/01/368374501.db2.gz YZXAVVXGDMJAAL-UHFFFAOYSA-N 1 2 274.328 1.795 20 30 CDEDLO CC(C)[N@H+](C)CC(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000067591972 368374502 /nfs/dbraw/zinc/37/45/02/368374502.db2.gz YZXAVVXGDMJAAL-UHFFFAOYSA-N 1 2 274.328 1.795 20 30 CDEDLO CC(C)[N@@H+](C)CC(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000067591972 368374509 /nfs/dbraw/zinc/37/45/09/368374509.db2.gz YZXAVVXGDMJAAL-UHFFFAOYSA-N 1 2 274.328 1.795 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+](CC=C)Cc1cccs1 ZINC000019540537 369750096 /nfs/dbraw/zinc/75/00/96/369750096.db2.gz OAXFMHDNEZZQAZ-UHFFFAOYSA-N 1 2 293.392 1.748 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+](CC=C)Cc1cccs1 ZINC000019540537 369750099 /nfs/dbraw/zinc/75/00/99/369750099.db2.gz OAXFMHDNEZZQAZ-UHFFFAOYSA-N 1 2 293.392 1.748 20 30 CDEDLO N#CCNC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153229590 370476180 /nfs/dbraw/zinc/47/61/80/370476180.db2.gz BWPSEVIWLXUDAZ-UHFFFAOYSA-N 1 2 288.307 1.199 20 30 CDEDLO N#CCNC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153229590 370476182 /nfs/dbraw/zinc/47/61/82/370476182.db2.gz BWPSEVIWLXUDAZ-UHFFFAOYSA-N 1 2 288.307 1.199 20 30 CDEDLO CO[C@H](CC(C)C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000567617796 371067662 /nfs/dbraw/zinc/06/76/62/371067662.db2.gz VCJPUCWXQQTUKE-DGCLKSJQSA-N 1 2 255.362 1.008 20 30 CDEDLO CN(Cc1[nH+]ccn1C)c1c(C#N)nnc2ccccc21 ZINC000347864294 372434476 /nfs/dbraw/zinc/43/44/76/372434476.db2.gz CKNRUNCITGRNKP-UHFFFAOYSA-N 1 2 278.319 1.871 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCSC[C@@H]1C#N ZINC000578880122 372548005 /nfs/dbraw/zinc/54/80/05/372548005.db2.gz GELNKOKNBGDWNA-ONGXEEELSA-N 1 2 264.354 1.056 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCSC[C@@H]1C#N ZINC000578880122 372548013 /nfs/dbraw/zinc/54/80/13/372548013.db2.gz GELNKOKNBGDWNA-ONGXEEELSA-N 1 2 264.354 1.056 20 30 CDEDLO N#CC1(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000579417339 372559690 /nfs/dbraw/zinc/55/96/90/372559690.db2.gz DUOGNNTZHXTIOX-UHFFFAOYSA-N 1 2 294.358 1.894 20 30 CDEDLO Cn1cnc2cccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c21 ZINC000579717881 372636889 /nfs/dbraw/zinc/63/68/89/372636889.db2.gz AUWISYOYHYVUAN-OAHLLOKOSA-N 1 2 285.351 1.147 20 30 CDEDLO C#CC[N@@H+](C)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000176303309 372724333 /nfs/dbraw/zinc/72/43/33/372724333.db2.gz YSILYUUCDUPYRU-OAHLLOKOSA-N 1 2 288.347 1.374 20 30 CDEDLO C#CC[N@H+](C)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000176303309 372724339 /nfs/dbraw/zinc/72/43/39/372724339.db2.gz YSILYUUCDUPYRU-OAHLLOKOSA-N 1 2 288.347 1.374 20 30 CDEDLO C=CCNC(=O)C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000063754405 373379076 /nfs/dbraw/zinc/37/90/76/373379076.db2.gz LJOJJIBWRQUEJA-UHFFFAOYSA-N 1 2 287.363 1.309 20 30 CDEDLO C=CCNC(=O)C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000063754405 373379079 /nfs/dbraw/zinc/37/90/79/373379079.db2.gz LJOJJIBWRQUEJA-UHFFFAOYSA-N 1 2 287.363 1.309 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1nnc(-c2ccco2)o1 ZINC000191132922 373457013 /nfs/dbraw/zinc/45/70/13/373457013.db2.gz RQLKORLEEBHXMV-UHFFFAOYSA-N 1 2 263.297 1.964 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1nnc(-c2ccco2)o1 ZINC000191132922 373457016 /nfs/dbraw/zinc/45/70/16/373457016.db2.gz RQLKORLEEBHXMV-UHFFFAOYSA-N 1 2 263.297 1.964 20 30 CDEDLO Cc1n[nH]c(C)c1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000122970356 373706221 /nfs/dbraw/zinc/70/62/21/373706221.db2.gz YVZOTORZSVQTEA-UHFFFAOYSA-N 1 2 296.378 1.615 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(OC)cc1OC ZINC000584419160 373732765 /nfs/dbraw/zinc/73/27/65/373732765.db2.gz XIKBKMFODDBVJP-LLVKDONJSA-N 1 2 291.351 1.924 20 30 CDEDLO C[C@@H](CNc1nc2c(cc1C#N)CCC2)[NH+]1CCOCC1 ZINC000298725463 373865643 /nfs/dbraw/zinc/86/56/43/373865643.db2.gz MRZXWEAOBPAIAR-LBPRGKRZSA-N 1 2 286.379 1.575 20 30 CDEDLO N#Cc1nccnc1NCCc1cn2ccccc2[nH+]1 ZINC000301160806 373868906 /nfs/dbraw/zinc/86/89/06/373868906.db2.gz HGCIUHPSZDUQTI-UHFFFAOYSA-N 1 2 264.292 1.651 20 30 CDEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccc(F)cn2)C(N)=O)cc1 ZINC000357512791 373916621 /nfs/dbraw/zinc/91/66/21/373916621.db2.gz RTQCGRVAGYPZKQ-CQSZACIVSA-N 1 2 284.294 1.409 20 30 CDEDLO COc1cc(OC)cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000574459010 335021433 /nfs/dbraw/zinc/02/14/33/335021433.db2.gz BMGAAVWDXXEOGP-HNNXBMFYSA-N 1 2 291.351 1.277 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cccnc1 ZINC000361089317 374033773 /nfs/dbraw/zinc/03/37/73/374033773.db2.gz VDOSTYSZZGTNEP-IAQYHMDHSA-N 1 2 280.331 1.830 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Nc1ncc2c(c1C#N)CCC2 ZINC000515833972 374148485 /nfs/dbraw/zinc/14/84/85/374148485.db2.gz GZLMVIURFIWNHN-GFCCVEGCSA-N 1 2 286.379 1.575 20 30 CDEDLO Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1C#N ZINC000369105935 374346152 /nfs/dbraw/zinc/34/61/52/374346152.db2.gz CGMWAGZAYHRILI-INIZCTEOSA-N 1 2 299.374 1.413 20 30 CDEDLO CCC[N@H+](CC(N)=O)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000429162831 374570822 /nfs/dbraw/zinc/57/08/22/374570822.db2.gz LWROSJWACJTJSM-UHFFFAOYSA-N 1 2 299.334 1.306 20 30 CDEDLO CCC[N@@H+](CC(N)=O)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000429162831 374570833 /nfs/dbraw/zinc/57/08/33/374570833.db2.gz LWROSJWACJTJSM-UHFFFAOYSA-N 1 2 299.334 1.306 20 30 CDEDLO N#Cc1ccc(NC[C@@H](O)C[NH+]2CCOCC2)cc1Cl ZINC000037886052 374760482 /nfs/dbraw/zinc/76/04/82/374760482.db2.gz PZFIRQMHLOUQLV-CYBMUJFWSA-N 1 2 295.770 1.317 20 30 CDEDLO CC1(C)C[S@](=O)CC[N@@H+]1CCOc1ccccc1C#N ZINC000331023378 374882511 /nfs/dbraw/zinc/88/25/11/374882511.db2.gz UFYUXEHZMJEEOU-HXUWFJFHSA-N 1 2 292.404 1.780 20 30 CDEDLO CC1(C)C[S@](=O)CC[N@H+]1CCOc1ccccc1C#N ZINC000331023378 374882519 /nfs/dbraw/zinc/88/25/19/374882519.db2.gz UFYUXEHZMJEEOU-HXUWFJFHSA-N 1 2 292.404 1.780 20 30 CDEDLO C#CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000045596983 375063747 /nfs/dbraw/zinc/06/37/47/375063747.db2.gz AKZCIXRKUCCATK-CQSZACIVSA-N 1 2 298.346 1.451 20 30 CDEDLO CCNC(=O)C[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162883882 375543650 /nfs/dbraw/zinc/54/36/50/375543650.db2.gz ZKPXUFYTCSKUFN-UHFFFAOYSA-N 1 2 265.744 1.780 20 30 CDEDLO CCNC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162883882 375543656 /nfs/dbraw/zinc/54/36/56/375543656.db2.gz ZKPXUFYTCSKUFN-UHFFFAOYSA-N 1 2 265.744 1.780 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000164733927 375619973 /nfs/dbraw/zinc/61/99/73/375619973.db2.gz OFXFMBJZXUHVTF-INIZCTEOSA-N 1 2 299.418 1.563 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)CNc1cccc(C#N)c1 ZINC000426875895 247072076 /nfs/dbraw/zinc/07/20/76/247072076.db2.gz QRCXCJGEDZANJG-UHFFFAOYSA-N 1 2 269.308 1.318 20 30 CDEDLO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)NC[C@H]1CCCO1 ZINC000328839648 375981123 /nfs/dbraw/zinc/98/11/23/375981123.db2.gz UHVLSXSCUSZBIJ-IJLUTSLNSA-N 1 2 281.356 1.173 20 30 CDEDLO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)NC[C@H]1CCCO1 ZINC000328839648 375981127 /nfs/dbraw/zinc/98/11/27/375981127.db2.gz UHVLSXSCUSZBIJ-IJLUTSLNSA-N 1 2 281.356 1.173 20 30 CDEDLO C[C@@H]1CC(=O)N[C@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000328724858 375924638 /nfs/dbraw/zinc/92/46/38/375924638.db2.gz YURRLKWDTUSURW-RYUDHWBXSA-N 1 2 297.399 1.809 20 30 CDEDLO CCc1ccc(O)c(C(=O)NC[C@@H](C)[NH+]2CCOCC2)c1 ZINC000330608624 376263682 /nfs/dbraw/zinc/26/36/82/376263682.db2.gz LEXKVEBBPFSAQT-GFCCVEGCSA-N 1 2 292.379 1.980 20 30 CDEDLO C#CCCCCNC(=O)NCCCNc1cccc[nH+]1 ZINC000160683668 377097584 /nfs/dbraw/zinc/09/75/84/377097584.db2.gz CPHLKMVGZLJQJW-UHFFFAOYSA-N 1 2 274.368 1.986 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000248180179 377207221 /nfs/dbraw/zinc/20/72/21/377207221.db2.gz WGOIQQCGNITHQY-CHWSQXEVSA-N 1 2 254.374 1.520 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000248180179 377207230 /nfs/dbraw/zinc/20/72/30/377207230.db2.gz WGOIQQCGNITHQY-CHWSQXEVSA-N 1 2 254.374 1.520 20 30 CDEDLO Cc1ccccc1CNC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057906633 377862112 /nfs/dbraw/zinc/86/21/12/377862112.db2.gz DLVMEMIUOUTKOD-UHFFFAOYSA-N 1 2 271.364 1.847 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000133354995 377889780 /nfs/dbraw/zinc/88/97/80/377889780.db2.gz USMDQSSIVZHHFE-KBPBESRZSA-N 1 2 293.411 1.154 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000133354995 377889784 /nfs/dbraw/zinc/88/97/84/377889784.db2.gz USMDQSSIVZHHFE-KBPBESRZSA-N 1 2 293.411 1.154 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000192243796 378180129 /nfs/dbraw/zinc/18/01/29/378180129.db2.gz BTOCJOIVERGSKR-NSHDSACASA-N 1 2 276.767 1.836 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000192243796 378180136 /nfs/dbraw/zinc/18/01/36/378180136.db2.gz BTOCJOIVERGSKR-NSHDSACASA-N 1 2 276.767 1.836 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633282308 378289517 /nfs/dbraw/zinc/28/95/17/378289517.db2.gz FIJCJGBOTXUCRV-MNOVXSKESA-N 1 2 264.329 1.285 20 30 CDEDLO C=CC[NH+]1CCC(NC(=O)[C@H](F)C(F)(F)F)CC1 ZINC000290261118 378370791 /nfs/dbraw/zinc/37/07/91/378370791.db2.gz OHIUBISNJTZDDB-VIFPVBQESA-N 1 2 268.254 1.653 20 30 CDEDLO C=CC[NH+]1CCC(NC(=O)C(F)C(F)(F)F)CC1 ZINC000290261118 378370799 /nfs/dbraw/zinc/37/07/99/378370799.db2.gz OHIUBISNJTZDDB-VIFPVBQESA-N 1 2 268.254 1.653 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000293102478 378539832 /nfs/dbraw/zinc/53/98/32/378539832.db2.gz LEMVUJTZFIVPFV-UHFFFAOYSA-N 1 2 259.309 1.662 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000293102478 378539836 /nfs/dbraw/zinc/53/98/36/378539836.db2.gz LEMVUJTZFIVPFV-UHFFFAOYSA-N 1 2 259.309 1.662 20 30 CDEDLO C=CCCS(=O)(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000295443304 378680796 /nfs/dbraw/zinc/68/07/96/378680796.db2.gz YOWXEBSNTRCCTH-LLVKDONJSA-N 1 2 283.397 1.709 20 30 CDEDLO C#CC[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186491691 378851311 /nfs/dbraw/zinc/85/13/11/378851311.db2.gz YUEFAHFYDNKILI-UHFFFAOYSA-N 1 2 251.276 1.881 20 30 CDEDLO C=CCOCCC[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000343746356 378953294 /nfs/dbraw/zinc/95/32/94/378953294.db2.gz PFBQDLBPJWZTNW-UHFFFAOYSA-N 1 2 266.345 1.282 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000450211329 251176070 /nfs/dbraw/zinc/17/60/70/251176070.db2.gz PGXLCGWJPRXHTR-LBPRGKRZSA-N 1 2 295.346 1.599 20 30 CDEDLO N#Cc1ccc(C=CC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000492933729 253329453 /nfs/dbraw/zinc/32/94/53/253329453.db2.gz URGBFJKRPWSLAA-BMWLXYDHSA-N 1 2 292.342 1.968 20 30 CDEDLO N#Cc1ccc(C=CC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000492933729 253329454 /nfs/dbraw/zinc/32/94/54/253329454.db2.gz URGBFJKRPWSLAA-BMWLXYDHSA-N 1 2 292.342 1.968 20 30 CDEDLO C=CCNc1ncc(C(=O)N2CC[N@@H+](CC)C[C@@H]2C)s1 ZINC000289343738 197304369 /nfs/dbraw/zinc/30/43/69/197304369.db2.gz KQPYTFBWPFTSKG-NSHDSACASA-N 1 2 294.424 1.907 20 30 CDEDLO C=CCNc1ncc(C(=O)N2CC[N@H+](CC)C[C@@H]2C)s1 ZINC000289343738 197304371 /nfs/dbraw/zinc/30/43/71/197304371.db2.gz KQPYTFBWPFTSKG-NSHDSACASA-N 1 2 294.424 1.907 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000192231249 533110791 /nfs/dbraw/zinc/11/07/91/533110791.db2.gz SYPXLZYIVQGVCL-NSHDSACASA-N 1 2 273.336 1.537 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000192231249 533110793 /nfs/dbraw/zinc/11/07/93/533110793.db2.gz SYPXLZYIVQGVCL-NSHDSACASA-N 1 2 273.336 1.537 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000358174691 412999621 /nfs/dbraw/zinc/99/96/21/412999621.db2.gz YOAWYGHIPHUDRV-UHFFFAOYSA-N 1 2 266.304 1.719 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](CC)C(=O)OC(C)(C)C)C1=O ZINC000281319114 195195020 /nfs/dbraw/zinc/19/50/20/195195020.db2.gz LBDXOEIKMWCDSY-CHWSQXEVSA-N 1 2 296.411 1.825 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](CC)C(=O)OC(C)(C)C)C1=O ZINC000281319114 195195022 /nfs/dbraw/zinc/19/50/22/195195022.db2.gz LBDXOEIKMWCDSY-CHWSQXEVSA-N 1 2 296.411 1.825 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N[C@@H](C)CC)C1=O ZINC000281358357 195209811 /nfs/dbraw/zinc/20/98/11/195209811.db2.gz NPYDBOBJEBIATI-XQQFMLRXSA-N 1 2 281.400 1.008 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N[C@@H](C)CC)C1=O ZINC000281358357 195209813 /nfs/dbraw/zinc/20/98/13/195209813.db2.gz NPYDBOBJEBIATI-XQQFMLRXSA-N 1 2 281.400 1.008 20 30 CDEDLO N#Cc1cnn2cc(C[NH+]3CCSCC3)cnc12 ZINC000517743450 260014485 /nfs/dbraw/zinc/01/44/85/260014485.db2.gz YBFSPEFYKXRXHA-UHFFFAOYSA-N 1 2 259.338 1.150 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000119471070 262274508 /nfs/dbraw/zinc/27/45/08/262274508.db2.gz ZJYBCKKWHWPDQM-UHFFFAOYSA-N 1 2 266.385 1.714 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000119471070 262274509 /nfs/dbraw/zinc/27/45/09/262274509.db2.gz ZJYBCKKWHWPDQM-UHFFFAOYSA-N 1 2 266.385 1.714 20 30 CDEDLO C=C[C@@H](C)NC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000354267663 260035782 /nfs/dbraw/zinc/03/57/82/260035782.db2.gz VBSQVROJDFABOF-VXGBXAGGSA-N 1 2 277.372 1.372 20 30 CDEDLO C=C[C@@H](O)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000646959131 390319178 /nfs/dbraw/zinc/31/91/78/390319178.db2.gz UYIYOPMFHXBUHW-WCQYABFASA-N 1 2 280.393 1.500 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cc1Cl)C(C)(C)C(N)=O ZINC000451136116 390601945 /nfs/dbraw/zinc/60/19/45/390601945.db2.gz ONDNQQBLPCEQRX-UHFFFAOYSA-N 1 2 265.744 1.907 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cc1Cl)C(C)(C)C(N)=O ZINC000451136116 390601948 /nfs/dbraw/zinc/60/19/48/390601948.db2.gz ONDNQQBLPCEQRX-UHFFFAOYSA-N 1 2 265.744 1.907 20 30 CDEDLO CO[C@@H]1C[N@H+](Cc2cn3ccccc3c2C#N)C[C@H]1O ZINC000395351499 390872560 /nfs/dbraw/zinc/87/25/60/390872560.db2.gz HVQLYKWCZJFXCT-HUUCEWRRSA-N 1 2 271.320 1.002 20 30 CDEDLO CO[C@@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)C[C@H]1O ZINC000395351499 390872564 /nfs/dbraw/zinc/87/25/64/390872564.db2.gz HVQLYKWCZJFXCT-HUUCEWRRSA-N 1 2 271.320 1.002 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCOC2(CCC2)C1 ZINC000154190831 390911901 /nfs/dbraw/zinc/91/19/01/390911901.db2.gz RCORMEHDMPQJRL-CQSZACIVSA-N 1 2 279.384 1.296 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCOC2(CCC2)C1 ZINC000154190831 390911903 /nfs/dbraw/zinc/91/19/03/390911903.db2.gz RCORMEHDMPQJRL-CQSZACIVSA-N 1 2 279.384 1.296 20 30 CDEDLO Cc1nnc([C@H]2CCC[N@H+](CC(=O)NC3CC3)C2)[nH]1 ZINC000329490016 390998147 /nfs/dbraw/zinc/99/81/47/390998147.db2.gz UZFQZWPXSAQEOZ-JTQLQIEISA-N 1 2 263.345 1.411 20 30 CDEDLO Cc1nnc([C@H]2CCC[N@@H+](CC(=O)NC3CC3)C2)[nH]1 ZINC000329490016 390998153 /nfs/dbraw/zinc/99/81/53/390998153.db2.gz UZFQZWPXSAQEOZ-JTQLQIEISA-N 1 2 263.345 1.411 20 30 CDEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC(=O)NC3CC3)C2)n1 ZINC000329490016 390998160 /nfs/dbraw/zinc/99/81/60/390998160.db2.gz UZFQZWPXSAQEOZ-JTQLQIEISA-N 1 2 263.345 1.411 20 30 CDEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC(=O)NC3CC3)C2)n1 ZINC000329490016 390998165 /nfs/dbraw/zinc/99/81/65/390998165.db2.gz UZFQZWPXSAQEOZ-JTQLQIEISA-N 1 2 263.345 1.411 20 30 CDEDLO Cc1nc([C@H]2CCC[N@H+](CC(=O)NC3CC3)C2)n[nH]1 ZINC000329490016 390998169 /nfs/dbraw/zinc/99/81/69/390998169.db2.gz UZFQZWPXSAQEOZ-JTQLQIEISA-N 1 2 263.345 1.411 20 30 CDEDLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)NC3CC3)C2)n[nH]1 ZINC000329490016 390998177 /nfs/dbraw/zinc/99/81/77/390998177.db2.gz UZFQZWPXSAQEOZ-JTQLQIEISA-N 1 2 263.345 1.411 20 30 CDEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425588453 391030886 /nfs/dbraw/zinc/03/08/86/391030886.db2.gz OWHPKAFEKPRCIS-SDDRHHMPSA-N 1 2 275.356 1.955 20 30 CDEDLO COC(=O)[C@@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000266484259 391083506 /nfs/dbraw/zinc/08/35/06/391083506.db2.gz QWGCFZKIRZAKAX-GFCCVEGCSA-N 1 2 287.363 1.678 20 30 CDEDLO COC(=O)c1cc(C[NH+]2CCN(CC#N)CC2)oc1C ZINC000174136589 391116718 /nfs/dbraw/zinc/11/67/18/391116718.db2.gz JSQFLDAFSOIOBU-UHFFFAOYSA-N 1 2 277.324 1.016 20 30 CDEDLO CCN(CC#N)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000373480740 391120470 /nfs/dbraw/zinc/12/04/70/391120470.db2.gz CELIQXLYRKJMGX-ZDUSSCGKSA-N 1 2 265.357 1.002 20 30 CDEDLO CCN(CC#N)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000373480740 391120473 /nfs/dbraw/zinc/12/04/73/391120473.db2.gz CELIQXLYRKJMGX-ZDUSSCGKSA-N 1 2 265.357 1.002 20 30 CDEDLO COc1ccc(C(N)=[NH+]O[C@H]2CCN(C(C)C)C2=O)cc1 ZINC000177555389 391171294 /nfs/dbraw/zinc/17/12/94/391171294.db2.gz AJWGTYWBGJNWEM-ZDUSSCGKSA-N 1 2 291.351 1.341 20 30 CDEDLO Cn1ncnc1CO[NH+]=C(N)Cc1ccccc1Cl ZINC000178308619 391184434 /nfs/dbraw/zinc/18/44/34/391184434.db2.gz VTGTYGZOEHWAMB-UHFFFAOYSA-N 1 2 279.731 1.500 20 30 CDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C1(C#N)CCCC1 ZINC000376222033 391218942 /nfs/dbraw/zinc/21/89/42/391218942.db2.gz XFLQPOUIDVLVEE-KBPBESRZSA-N 1 2 291.395 1.392 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269655564 391254539 /nfs/dbraw/zinc/25/45/39/391254539.db2.gz OLXDEZNHNVDNOC-GWCFXTLKSA-N 1 2 263.297 1.720 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269655564 391254543 /nfs/dbraw/zinc/25/45/43/391254543.db2.gz OLXDEZNHNVDNOC-GWCFXTLKSA-N 1 2 263.297 1.720 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000375917735 391206558 /nfs/dbraw/zinc/20/65/58/391206558.db2.gz SBUWEWWFJUGOAP-ZFWWWQNUSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000375917735 391206560 /nfs/dbraw/zinc/20/65/60/391206560.db2.gz SBUWEWWFJUGOAP-ZFWWWQNUSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)[C@H](CC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1)OCC ZINC000339367678 391292355 /nfs/dbraw/zinc/29/23/55/391292355.db2.gz HYDKAEQYFCTSDI-CABCVRRESA-N 1 2 297.443 1.110 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N[C@H](C)C[NH+]1CCOCC1)OCC ZINC000339420938 391298073 /nfs/dbraw/zinc/29/80/73/391298073.db2.gz JGUWCDCIEWMYFV-ZIAGYGMSSA-N 1 2 284.400 1.195 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000339752093 391345693 /nfs/dbraw/zinc/34/56/93/391345693.db2.gz JFNALKSAXUNKJU-LBPRGKRZSA-N 1 2 294.345 1.967 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000339752093 391345696 /nfs/dbraw/zinc/34/56/96/391345696.db2.gz JFNALKSAXUNKJU-LBPRGKRZSA-N 1 2 294.345 1.967 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCCc1ccc(Cl)cc1 ZINC000339755196 391348655 /nfs/dbraw/zinc/34/86/55/391348655.db2.gz BWWWDGUUFFVABA-UHFFFAOYSA-N 1 2 278.783 1.954 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCCc1ccc(Cl)cc1 ZINC000339755196 391348659 /nfs/dbraw/zinc/34/86/59/391348659.db2.gz BWWWDGUUFFVABA-UHFFFAOYSA-N 1 2 278.783 1.954 20 30 CDEDLO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000328928688 391394962 /nfs/dbraw/zinc/39/49/62/391394962.db2.gz YBUVAXJLSKEVDD-MWLCHTKSSA-N 1 2 294.355 1.350 20 30 CDEDLO C[C@H](C(=O)NC1CCCC1)[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000328928688 391394965 /nfs/dbraw/zinc/39/49/65/391394965.db2.gz YBUVAXJLSKEVDD-MWLCHTKSSA-N 1 2 294.355 1.350 20 30 CDEDLO Cc1cccc2[nH+]c(CNC(=O)[C@@H]3COCCN3C)cn21 ZINC000328992847 391403142 /nfs/dbraw/zinc/40/31/42/391403142.db2.gz DPVFRUHMXNIBGO-ZDUSSCGKSA-N 1 2 288.351 1.430 20 30 CDEDLO Cc1ccc(C(=O)N[C@H](CO)C[NH+]2CCOCC2)c(C)c1 ZINC000330453570 391423419 /nfs/dbraw/zinc/42/34/19/391423419.db2.gz LKXPQESNMOZSJI-AWEZNQCLSA-N 1 2 292.379 1.301 20 30 CDEDLO COC(=O)[C@H]([NH2+]CCCC#N)[C@@H]1CCC[C@@H](OC)C1 ZINC000593102971 391441686 /nfs/dbraw/zinc/44/16/86/391441686.db2.gz GHIAPJXBVFJEMA-JHJVBQTASA-N 1 2 268.357 1.627 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)Nc1cnn(C(C)(C)C)c1 ZINC000330639583 391453083 /nfs/dbraw/zinc/45/30/83/391453083.db2.gz CBUHCNCXXURTDC-UHFFFAOYSA-N 1 2 276.344 1.898 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000330624067 391461567 /nfs/dbraw/zinc/46/15/67/391461567.db2.gz QOFNUFKWWSTMPP-SECBINFHSA-N 1 2 299.352 1.682 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000330624067 391461571 /nfs/dbraw/zinc/46/15/71/391461571.db2.gz QOFNUFKWWSTMPP-SECBINFHSA-N 1 2 299.352 1.682 20 30 CDEDLO Cc1ccc(C(=O)NCC[N@H+]2CCOC[C@H]2C)cn1 ZINC000330626999 391462415 /nfs/dbraw/zinc/46/24/15/391462415.db2.gz WLVIQCYHGHAQBT-GFCCVEGCSA-N 1 2 263.341 1.415 20 30 CDEDLO Cc1ccc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cn1 ZINC000330626999 391462418 /nfs/dbraw/zinc/46/24/18/391462418.db2.gz WLVIQCYHGHAQBT-GFCCVEGCSA-N 1 2 263.341 1.415 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000412032864 391552901 /nfs/dbraw/zinc/55/29/01/391552901.db2.gz ROKASIWXYFTVKY-CYBMUJFWSA-N 1 2 289.383 1.103 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000412032864 391552906 /nfs/dbraw/zinc/55/29/06/391552906.db2.gz ROKASIWXYFTVKY-CYBMUJFWSA-N 1 2 289.383 1.103 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](c2nc(C)n[nH]2)C1 ZINC000412032864 391552912 /nfs/dbraw/zinc/55/29/12/391552912.db2.gz ROKASIWXYFTVKY-CYBMUJFWSA-N 1 2 289.383 1.103 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](c2nc(C)n[nH]2)C1 ZINC000412032864 391552916 /nfs/dbraw/zinc/55/29/16/391552916.db2.gz ROKASIWXYFTVKY-CYBMUJFWSA-N 1 2 289.383 1.103 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](c2n[nH]c(C)n2)C1 ZINC000412032864 391552920 /nfs/dbraw/zinc/55/29/20/391552920.db2.gz ROKASIWXYFTVKY-CYBMUJFWSA-N 1 2 289.383 1.103 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](c2n[nH]c(C)n2)C1 ZINC000412032864 391552924 /nfs/dbraw/zinc/55/29/24/391552924.db2.gz ROKASIWXYFTVKY-CYBMUJFWSA-N 1 2 289.383 1.103 20 30 CDEDLO Cc1ccnc(N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c1C#N ZINC000291055045 391629531 /nfs/dbraw/zinc/62/95/31/391629531.db2.gz FCQJMIXSQONLAI-UKRRQHHQSA-N 1 2 286.379 1.561 20 30 CDEDLO C=CCCCCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000359193017 391581696 /nfs/dbraw/zinc/58/16/96/391581696.db2.gz KDPNPAOUEBWWJW-HNNXBMFYSA-N 1 2 295.427 1.849 20 30 CDEDLO C=CC[C@@H](CO)CNc1nc(C)[nH+]c2c1CCCC2 ZINC000359730818 391613826 /nfs/dbraw/zinc/61/38/26/391613826.db2.gz PXDYQUDOCBMFLO-GFCCVEGCSA-N 1 2 261.369 1.682 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@H](c3ccccc3)C2)C1=O ZINC000282103390 391671117 /nfs/dbraw/zinc/67/11/17/391671117.db2.gz WHFYAMGNPPTMFF-CVEARBPZSA-N 1 2 286.375 1.847 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@H](c3ccccc3)C2)C1=O ZINC000282103390 391671121 /nfs/dbraw/zinc/67/11/21/391671121.db2.gz WHFYAMGNPPTMFF-CVEARBPZSA-N 1 2 286.375 1.847 20 30 CDEDLO CC#CC[N@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000093332022 391679625 /nfs/dbraw/zinc/67/96/25/391679625.db2.gz VPZAMJVCVKIDON-LBPRGKRZSA-N 1 2 295.180 1.931 20 30 CDEDLO CC#CC[N@@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000093332022 391679626 /nfs/dbraw/zinc/67/96/26/391679626.db2.gz VPZAMJVCVKIDON-LBPRGKRZSA-N 1 2 295.180 1.931 20 30 CDEDLO COC1(C)CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000329763590 391774403 /nfs/dbraw/zinc/77/44/03/391774403.db2.gz UTHUPNYJGWWQBH-NSHDSACASA-N 1 2 278.356 1.395 20 30 CDEDLO C[C@@H]1C[C@@H](CCNC(=O)N2CCn3cc[nH+]c3C2)CCO1 ZINC000329764047 391775138 /nfs/dbraw/zinc/77/51/38/391775138.db2.gz VHFBLPUTZJYDIE-OLZOCXBDSA-N 1 2 292.383 1.818 20 30 CDEDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191179299 130197291 /nfs/dbraw/zinc/19/72/91/130197291.db2.gz YMOFXSQPAGUTPB-CQSZACIVSA-N 1 2 275.352 1.814 20 30 CDEDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191179299 130197293 /nfs/dbraw/zinc/19/72/93/130197293.db2.gz YMOFXSQPAGUTPB-CQSZACIVSA-N 1 2 275.352 1.814 20 30 CDEDLO Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1C[C@H]2CC[C@@H](C1)O2 ZINC000329799805 391780740 /nfs/dbraw/zinc/78/07/40/391780740.db2.gz HWAXJBPKADFXQM-BNOWGMLFSA-N 1 2 292.383 1.605 20 30 CDEDLO Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191422253 130234747 /nfs/dbraw/zinc/23/47/47/130234747.db2.gz VOUDVKKZZWKNSP-CYBMUJFWSA-N 1 2 270.340 1.362 20 30 CDEDLO Cn1cnnc1[C@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191422253 130234749 /nfs/dbraw/zinc/23/47/49/130234749.db2.gz VOUDVKKZZWKNSP-CYBMUJFWSA-N 1 2 270.340 1.362 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000372357553 391850557 /nfs/dbraw/zinc/85/05/57/391850557.db2.gz PSUSRIWRSFWCAK-NSHDSACASA-N 1 2 256.346 1.398 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000372357553 391850559 /nfs/dbraw/zinc/85/05/59/391850559.db2.gz PSUSRIWRSFWCAK-NSHDSACASA-N 1 2 256.346 1.398 20 30 CDEDLO C=C[C@@H](O)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000646618610 392596785 /nfs/dbraw/zinc/59/67/85/392596785.db2.gz WYOFXNLSEASFOT-LLVKDONJSA-N 1 2 281.381 1.614 20 30 CDEDLO C[N@@H+]1CCC[C@@H]1CNC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000329324460 392764401 /nfs/dbraw/zinc/76/44/01/392764401.db2.gz ICQFUNLKHWWUEB-SECBINFHSA-N 1 2 297.428 1.678 20 30 CDEDLO C[N@H+]1CCC[C@@H]1CNC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000329324460 392764407 /nfs/dbraw/zinc/76/44/07/392764407.db2.gz ICQFUNLKHWWUEB-SECBINFHSA-N 1 2 297.428 1.678 20 30 CDEDLO Cc1ccc(CCNc2ncc([N+](=O)[O-])cc2C#N)c[nH+]1 ZINC000521960075 392870156 /nfs/dbraw/zinc/87/01/56/392870156.db2.gz BNLVCILLNNEFQZ-UHFFFAOYSA-N 1 2 283.291 1.641 20 30 CDEDLO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H](C)S(C)(=O)=O ZINC000450299071 392923460 /nfs/dbraw/zinc/92/34/60/392923460.db2.gz OOQUBIBQWCRNOZ-CYBMUJFWSA-N 1 2 292.404 1.979 20 30 CDEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](C)S(C)(=O)=O ZINC000450299071 392923469 /nfs/dbraw/zinc/92/34/69/392923469.db2.gz OOQUBIBQWCRNOZ-CYBMUJFWSA-N 1 2 292.404 1.979 20 30 CDEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCSCC2)cc1 ZINC000115535994 392972587 /nfs/dbraw/zinc/97/25/87/392972587.db2.gz PAYYJQQJPLQHAJ-GFCCVEGCSA-N 1 2 261.350 1.133 20 30 CDEDLO Cc1cc(NC[C@@H](CO)Cc2ccccc2)c(C#N)c[nH+]1 ZINC000425207998 392993562 /nfs/dbraw/zinc/99/35/62/392993562.db2.gz NXAKJTVNQWDSPD-HNNXBMFYSA-N 1 2 281.359 1.947 20 30 CDEDLO N#Cc1ccc(C2=CC[N@H+]([C@H]3CCOC3=O)CC2)cc1 ZINC000374306048 393051673 /nfs/dbraw/zinc/05/16/73/393051673.db2.gz BIBTZMRZLLTNSH-HNNXBMFYSA-N 1 2 268.316 1.963 20 30 CDEDLO N#Cc1ccc(C2=CC[N@@H+]([C@H]3CCOC3=O)CC2)cc1 ZINC000374306048 393051676 /nfs/dbraw/zinc/05/16/76/393051676.db2.gz BIBTZMRZLLTNSH-HNNXBMFYSA-N 1 2 268.316 1.963 20 30 CDEDLO C[NH+]1CCC(C#N)(NC(=O)[C@H]2CCCCCC(=O)C2)CC1 ZINC000575109590 335066425 /nfs/dbraw/zinc/06/64/25/335066425.db2.gz HHASNWUTTPQQFP-ZDUSSCGKSA-N 1 2 291.395 1.630 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cnc(N3CCCC3)nc2)nn1 ZINC000575115686 335067589 /nfs/dbraw/zinc/06/75/89/335067589.db2.gz VNUPCUBYZRDSRO-UHFFFAOYSA-N 1 2 299.382 1.144 20 30 CDEDLO Cc1ccc(C#N)c(N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)n1 ZINC000291105701 292044539 /nfs/dbraw/zinc/04/45/39/292044539.db2.gz KZTMIIDJQOEINA-UKRRQHHQSA-N 1 2 286.379 1.561 20 30 CDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](C)CC1 ZINC000050079742 398092607 /nfs/dbraw/zinc/09/26/07/398092607.db2.gz VLGHOBFYINTKSK-GFCCVEGCSA-N 1 2 273.336 1.100 20 30 CDEDLO N#Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CO)ccc1F ZINC000334228687 149371505 /nfs/dbraw/zinc/37/15/05/149371505.db2.gz OSSNLAXRMCKAJN-RYUDHWBXSA-N 1 2 252.264 1.602 20 30 CDEDLO N#Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)ccc1F ZINC000334228687 149371508 /nfs/dbraw/zinc/37/15/08/149371508.db2.gz OSSNLAXRMCKAJN-RYUDHWBXSA-N 1 2 252.264 1.602 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000336396588 151497258 /nfs/dbraw/zinc/49/72/58/151497258.db2.gz FRHVPWGXFOSEEU-CYBMUJFWSA-N 1 2 286.379 1.918 20 30 CDEDLO COc1ccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)cc1C#N ZINC000087833277 286304545 /nfs/dbraw/zinc/30/45/45/286304545.db2.gz DEZFXNHRQNUMDE-CYBMUJFWSA-N 1 2 273.336 1.407 20 30 CDEDLO COc1ccc(C[N@H+]2CCCC[C@@H]2C(N)=O)cc1C#N ZINC000087833277 286304546 /nfs/dbraw/zinc/30/45/46/286304546.db2.gz DEZFXNHRQNUMDE-CYBMUJFWSA-N 1 2 273.336 1.407 20 30 CDEDLO N#Cc1c[nH]nc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000346666447 153263515 /nfs/dbraw/zinc/26/35/15/153263515.db2.gz SZDDXPJBDZXLAD-UHFFFAOYSA-N 1 2 264.292 1.501 20 30 CDEDLO C=CCC1(NC(=O)C(=O)Nc2ccc(N)[nH+]c2)CCCC1 ZINC000659103526 413532400 /nfs/dbraw/zinc/53/24/00/413532400.db2.gz SBWULVGYQGJHGF-UHFFFAOYSA-N 1 2 288.351 1.607 20 30 CDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccsc2)CC1 ZINC000285165981 196210932 /nfs/dbraw/zinc/21/09/32/196210932.db2.gz LYJFNSXJPRVDHC-UHFFFAOYSA-N 1 2 284.406 1.078 20 30 CDEDLO C=CC[C@H]1CCCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000660856236 413583105 /nfs/dbraw/zinc/58/31/05/413583105.db2.gz GNGDSYKDNBXCJX-GJZGRUSLSA-N 1 2 295.427 1.705 20 30 CDEDLO C=CC[C@H]1CCCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000660856236 413583112 /nfs/dbraw/zinc/58/31/12/413583112.db2.gz GNGDSYKDNBXCJX-GJZGRUSLSA-N 1 2 295.427 1.705 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)NCC(=O)c2ccccc2)C1 ZINC000661154417 413841459 /nfs/dbraw/zinc/84/14/59/413841459.db2.gz PVPLYMBYXIMPGR-AWEZNQCLSA-N 1 2 299.374 1.611 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)NCC(=O)c2ccccc2)C1 ZINC000661154417 413841466 /nfs/dbraw/zinc/84/14/66/413841466.db2.gz PVPLYMBYXIMPGR-AWEZNQCLSA-N 1 2 299.374 1.611 20 30 CDEDLO C=CCC1(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)CCCC1 ZINC000663639855 414383503 /nfs/dbraw/zinc/38/35/03/414383503.db2.gz YSQORGKEBLSNNJ-AWEZNQCLSA-N 1 2 295.427 1.895 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCCOCCC(C)C ZINC000339762317 262666117 /nfs/dbraw/zinc/66/61/17/262666117.db2.gz ZOARMJATMURYAX-UHFFFAOYSA-N 1 2 254.374 1.120 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCCOCCC(C)C ZINC000339762317 262666118 /nfs/dbraw/zinc/66/61/18/262666118.db2.gz ZOARMJATMURYAX-UHFFFAOYSA-N 1 2 254.374 1.120 20 30 CDEDLO Cc1cccn2cc(CNC(=O)[C@]3(C#N)C[C@@H]3C)[nH+]c12 ZINC000334654372 225258487 /nfs/dbraw/zinc/25/84/87/225258487.db2.gz UTTMUDGYTSZEOY-NHYWBVRUSA-N 1 2 268.320 1.809 20 30 CDEDLO Cc1nc([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CC2)n[nH]1 ZINC000329184088 227343297 /nfs/dbraw/zinc/34/32/97/227343297.db2.gz FUHVSBSAYCTNET-GZMMTYOYSA-N 1 2 263.345 1.757 20 30 CDEDLO Cc1nc([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CC2)n[nH]1 ZINC000329184088 227343302 /nfs/dbraw/zinc/34/33/02/227343302.db2.gz FUHVSBSAYCTNET-GZMMTYOYSA-N 1 2 263.345 1.757 20 30 CDEDLO Cc1ncoc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000329996101 228011062 /nfs/dbraw/zinc/01/10/62/228011062.db2.gz OHJKZCUMFQFTDY-VIFPVBQESA-N 1 2 253.302 1.008 20 30 CDEDLO Cc1ncoc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000329996101 228011063 /nfs/dbraw/zinc/01/10/63/228011063.db2.gz OHJKZCUMFQFTDY-VIFPVBQESA-N 1 2 253.302 1.008 20 30 CDEDLO C[C@H]1C[C@@H](O)CCN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000330229884 228073674 /nfs/dbraw/zinc/07/36/74/228073674.db2.gz WEFYJYIHKHTTLT-AVGNSLFASA-N 1 2 292.383 1.520 20 30 CDEDLO CCc1nc(C=C(O)NC2=[NH+]CCS2)cs1 ZINC000048924439 260202549 /nfs/dbraw/zinc/20/25/49/260202549.db2.gz MWIXCAQQSOSGAT-UHFFFAOYSA-N 1 2 255.368 1.467 20 30 CDEDLO CC[C@@H]1CN(C(=O)[C@]2(C#N)C[C@H]2C)C[C@@H]1[NH+]1CCOCC1 ZINC000449983811 261062824 /nfs/dbraw/zinc/06/28/24/261062824.db2.gz DIZTVPYNNNSBJV-NYTXWWLZSA-N 1 2 291.395 1.105 20 30 CDEDLO C[C@@H](C(=O)Nc1ccn(CCC#N)n1)[NH+]1CCSCC1 ZINC000152765489 261069070 /nfs/dbraw/zinc/06/90/70/261069070.db2.gz GGMKNGJLZACKBV-NSHDSACASA-N 1 2 293.396 1.173 20 30 CDEDLO CC(C)CC[C@H](O)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000361301546 261196941 /nfs/dbraw/zinc/19/69/41/261196941.db2.gz QEMBMUSUCMQSSC-INIZCTEOSA-N 1 2 297.443 1.331 20 30 CDEDLO CC(C)CC[C@H](O)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000361301546 261196942 /nfs/dbraw/zinc/19/69/42/261196942.db2.gz QEMBMUSUCMQSSC-INIZCTEOSA-N 1 2 297.443 1.331 20 30 CDEDLO CC(C)CC[C@H](O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000361301546 261196944 /nfs/dbraw/zinc/19/69/44/261196944.db2.gz QEMBMUSUCMQSSC-INIZCTEOSA-N 1 2 297.443 1.331 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1CC[C@@H](c2ccccc2)C1=O ZINC000491255298 261391659 /nfs/dbraw/zinc/39/16/59/261391659.db2.gz WPHAUWHNURPWFK-ZFWWWQNUSA-N 1 2 256.349 1.914 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1CC[C@@H](c2ccccc2)C1=O ZINC000491255298 261391660 /nfs/dbraw/zinc/39/16/60/261391660.db2.gz WPHAUWHNURPWFK-ZFWWWQNUSA-N 1 2 256.349 1.914 20 30 CDEDLO COC[C@@H](C)O[NH+]=C(N)COc1cccc(F)c1 ZINC000186827892 262110977 /nfs/dbraw/zinc/11/09/77/262110977.db2.gz XHQSDCJFOSVVQK-SECBINFHSA-N 1 2 256.277 1.528 20 30 CDEDLO CC(C)OCCO[NH+]=C(N)COc1cccc(F)c1 ZINC000186827052 262111575 /nfs/dbraw/zinc/11/15/75/262111575.db2.gz GTXBIPSTSBUCHD-UHFFFAOYSA-N 1 2 270.304 1.918 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000364153376 262158726 /nfs/dbraw/zinc/15/87/26/262158726.db2.gz DIVGNAUFYRDOFC-ZDUSSCGKSA-N 1 2 295.386 1.972 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000364153376 262158728 /nfs/dbraw/zinc/15/87/28/262158728.db2.gz DIVGNAUFYRDOFC-ZDUSSCGKSA-N 1 2 295.386 1.972 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000336801094 262395160 /nfs/dbraw/zinc/39/51/60/262395160.db2.gz OUCHLSYMGURRQO-VHSXEESVSA-N 1 2 277.290 1.631 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000336801094 262395161 /nfs/dbraw/zinc/39/51/61/262395161.db2.gz OUCHLSYMGURRQO-VHSXEESVSA-N 1 2 277.290 1.631 20 30 CDEDLO N#CCCCNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000273295033 263014964 /nfs/dbraw/zinc/01/49/64/263014964.db2.gz TTZDMGXQNSZAGX-NSHDSACASA-N 1 2 261.329 1.602 20 30 CDEDLO CO/N=C/C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000290222467 263115677 /nfs/dbraw/zinc/11/56/77/263115677.db2.gz RUISENVCLOSUJF-NTUHNPAUSA-N 1 2 261.285 1.200 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)/N=C/c1cccc(O)c1O ZINC000298682598 263224105 /nfs/dbraw/zinc/22/41/05/263224105.db2.gz WQCNDIPSCBCODJ-ZRRZQRFHSA-N 1 2 264.325 1.237 20 30 CDEDLO Cc1ccccc1OC[C@H](O)C[N@@H+](C)C[C@H](C)C#N ZINC000299167848 263233176 /nfs/dbraw/zinc/23/31/76/263233176.db2.gz PPIXTRYEWLPYEI-TZMCWYRMSA-N 1 2 262.353 1.826 20 30 CDEDLO Cc1ccccc1OC[C@H](O)C[N@H+](C)C[C@H](C)C#N ZINC000299167848 263233177 /nfs/dbraw/zinc/23/31/77/263233177.db2.gz PPIXTRYEWLPYEI-TZMCWYRMSA-N 1 2 262.353 1.826 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1CCn2cnnc2C1 ZINC000121870948 263298230 /nfs/dbraw/zinc/29/82/30/263298230.db2.gz JJEKKJQRDAZAEH-UHFFFAOYSA-N 1 2 268.320 1.306 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1CCn2cnnc2C1 ZINC000121870948 263298231 /nfs/dbraw/zinc/29/82/31/263298231.db2.gz JJEKKJQRDAZAEH-UHFFFAOYSA-N 1 2 268.320 1.306 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)N1CCCCO1)[NH+]1CCOCC1 ZINC000328699180 263845806 /nfs/dbraw/zinc/84/58/06/263845806.db2.gz MCXOZMGGYBSAND-NWDGAFQWSA-N 1 2 271.361 1.037 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2n[nH]cc2C1 ZINC000125814859 264069681 /nfs/dbraw/zinc/06/96/81/264069681.db2.gz UMYFZADKLYHXOC-UHFFFAOYSA-N 1 2 262.357 1.192 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2n[nH]cc2C1 ZINC000125814859 264069683 /nfs/dbraw/zinc/06/96/83/264069683.db2.gz UMYFZADKLYHXOC-UHFFFAOYSA-N 1 2 262.357 1.192 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000331070772 264113776 /nfs/dbraw/zinc/11/37/76/264113776.db2.gz RXCWKNJNRBPGNZ-CHWSQXEVSA-N 1 2 281.400 1.494 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000331070772 264113778 /nfs/dbraw/zinc/11/37/78/264113778.db2.gz RXCWKNJNRBPGNZ-CHWSQXEVSA-N 1 2 281.400 1.494 20 30 CDEDLO Cc1ccc(O)c(C(=O)NCC[N@H+]2CCOC[C@H]2C)c1 ZINC000331247352 264179506 /nfs/dbraw/zinc/17/95/06/264179506.db2.gz VTFRNDPXZPZXKE-GFCCVEGCSA-N 1 2 278.352 1.726 20 30 CDEDLO Cc1ccc(O)c(C(=O)NCC[N@@H+]2CCOC[C@H]2C)c1 ZINC000331247352 264179508 /nfs/dbraw/zinc/17/95/08/264179508.db2.gz VTFRNDPXZPZXKE-GFCCVEGCSA-N 1 2 278.352 1.726 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000331313313 264187147 /nfs/dbraw/zinc/18/71/47/264187147.db2.gz IEIPXKCATKSPEM-LBPRGKRZSA-N 1 2 276.384 1.827 20 30 CDEDLO COCCO[C@H]1CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000189700952 264322428 /nfs/dbraw/zinc/32/24/28/264322428.db2.gz LZUVGOSUCXKRMS-STQMWFEESA-N 1 2 251.330 1.167 20 30 CDEDLO COCCO[C@H]1CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000189700952 264322427 /nfs/dbraw/zinc/32/24/27/264322427.db2.gz LZUVGOSUCXKRMS-STQMWFEESA-N 1 2 251.330 1.167 20 30 CDEDLO CC(C)n1c[nH+]cc1CNc1n[nH]c(C2CC2)c1C#N ZINC000567344264 424163375 /nfs/dbraw/zinc/16/33/75/424163375.db2.gz NTEMDOLJSOYFRY-UHFFFAOYSA-N 1 2 270.340 1.970 20 30 CDEDLO C=CCCn1cc(C[N@H+](C)C[C@@H]2CCCCO2)nn1 ZINC000653504937 424224289 /nfs/dbraw/zinc/22/42/89/424224289.db2.gz PYYVJPJAPXOYNC-AWEZNQCLSA-N 1 2 264.373 1.855 20 30 CDEDLO C=CCCn1cc(C[N@@H+](C)C[C@@H]2CCCCO2)nn1 ZINC000653504937 424224301 /nfs/dbraw/zinc/22/43/01/424224301.db2.gz PYYVJPJAPXOYNC-AWEZNQCLSA-N 1 2 264.373 1.855 20 30 CDEDLO C=CCCC1(C(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)OC)CC1 ZINC000356541396 266134079 /nfs/dbraw/zinc/13/40/79/266134079.db2.gz LQWIIEORIKYBCR-GFCCVEGCSA-N 1 2 291.351 1.356 20 30 CDEDLO C=CCCC1(C(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)OC)CC1 ZINC000356541396 266134081 /nfs/dbraw/zinc/13/40/81/266134081.db2.gz LQWIIEORIKYBCR-GFCCVEGCSA-N 1 2 291.351 1.356 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCO[C@H]3CCC[C@H]32)CCCCC1 ZINC000363049571 267073354 /nfs/dbraw/zinc/07/33/54/267073354.db2.gz NGUHCIASBPBNBU-KGLIPLIRSA-N 1 2 291.395 1.582 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCO[C@H]3CCC[C@H]32)CCCCC1 ZINC000363049571 267073357 /nfs/dbraw/zinc/07/33/57/267073357.db2.gz NGUHCIASBPBNBU-KGLIPLIRSA-N 1 2 291.395 1.582 20 30 CDEDLO C#C[C@@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000370436071 267318794 /nfs/dbraw/zinc/31/87/94/267318794.db2.gz HLSZIUQVHHVYJQ-LLVKDONJSA-N 1 2 269.308 1.088 20 30 CDEDLO CN(Cc1[nH+]ccn1C)c1ncc2c(c1C#N)CCC2 ZINC000517130108 267325402 /nfs/dbraw/zinc/32/54/02/267325402.db2.gz NULMWTJLBWXCLM-UHFFFAOYSA-N 1 2 267.336 1.812 20 30 CDEDLO C[C@H]1C[C@@H](O)C[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000401896012 270376917 /nfs/dbraw/zinc/37/69/17/270376917.db2.gz KFDJSXJUUFZGJG-GXSJLCMTSA-N 1 2 279.365 1.261 20 30 CDEDLO C[C@H]1C[C@@H](O)C[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000401896012 270376918 /nfs/dbraw/zinc/37/69/18/270376918.db2.gz KFDJSXJUUFZGJG-GXSJLCMTSA-N 1 2 279.365 1.261 20 30 CDEDLO CC#CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298091789 276931805 /nfs/dbraw/zinc/93/18/05/276931805.db2.gz MRGPJHMOGCWJFH-UHFFFAOYSA-N 1 2 260.297 1.135 20 30 CDEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)C[C@H](CO)O1 ZINC000163113458 278336607 /nfs/dbraw/zinc/33/66/07/278336607.db2.gz IVHSBFKYHMRRBW-CYBMUJFWSA-N 1 2 278.327 1.669 20 30 CDEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H](CO)O1 ZINC000163113458 278336608 /nfs/dbraw/zinc/33/66/08/278336608.db2.gz IVHSBFKYHMRRBW-CYBMUJFWSA-N 1 2 278.327 1.669 20 30 CDEDLO Cc1cc(C[N@@H+]2CCc3nnc(N)cc3C2)ccc1C#N ZINC000555534606 290223223 /nfs/dbraw/zinc/22/32/23/290223223.db2.gz DLTVZMNLFZPYEH-UHFFFAOYSA-N 1 2 279.347 1.628 20 30 CDEDLO Cc1cc(C[N@H+]2CCc3nnc(N)cc3C2)ccc1C#N ZINC000555534606 290223225 /nfs/dbraw/zinc/22/32/25/290223225.db2.gz DLTVZMNLFZPYEH-UHFFFAOYSA-N 1 2 279.347 1.628 20 30 CDEDLO N#Cc1cnn2cc(C[N@@H+]3CCOC[C@@H]3C3CC3)cnc12 ZINC000569246254 294181494 /nfs/dbraw/zinc/18/14/94/294181494.db2.gz YQHVMVFEPSIJRY-CQSZACIVSA-N 1 2 283.335 1.212 20 30 CDEDLO N#Cc1cnn2cc(C[N@H+]3CCOC[C@@H]3C3CC3)cnc12 ZINC000569246254 294181496 /nfs/dbraw/zinc/18/14/96/294181496.db2.gz YQHVMVFEPSIJRY-CQSZACIVSA-N 1 2 283.335 1.212 20 30 CDEDLO C[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)C[C@H](C)[N@H+]1C ZINC000074557167 297065423 /nfs/dbraw/zinc/06/54/23/297065423.db2.gz RRTFVOBJWMFNFQ-TXEJJXNPSA-N 1 2 293.392 1.271 20 30 CDEDLO C[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)C[C@H](C)[N@@H+]1C ZINC000074557167 297065424 /nfs/dbraw/zinc/06/54/24/297065424.db2.gz RRTFVOBJWMFNFQ-TXEJJXNPSA-N 1 2 293.392 1.271 20 30 CDEDLO COC[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccco1 ZINC000184553420 327829752 /nfs/dbraw/zinc/82/97/52/327829752.db2.gz LXBIBPDYTMEYHQ-IUODEOHRSA-N 1 2 291.351 1.365 20 30 CDEDLO Cc1ncsc1/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000493433933 327894076 /nfs/dbraw/zinc/89/40/76/327894076.db2.gz PFXBOVNMIWMURT-CFHLNLSMSA-N 1 2 278.381 1.425 20 30 CDEDLO Cc1cc(N2CCC[C@@H](N3CCNC3=O)C2)c(C#N)c[nH+]1 ZINC000566135893 316489015 /nfs/dbraw/zinc/48/90/15/316489015.db2.gz MUTULLIHOQWSEV-CYBMUJFWSA-N 1 2 285.351 1.256 20 30 CDEDLO CC[C@@H](C)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000569710868 316834626 /nfs/dbraw/zinc/83/46/26/316834626.db2.gz ZEVARFPWFQVMFM-CYBMUJFWSA-N 1 2 289.379 1.598 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000563363909 328059328 /nfs/dbraw/zinc/05/93/28/328059328.db2.gz DORVIHQKURYPRH-LBPRGKRZSA-N 1 2 256.309 1.779 20 30 CDEDLO CC#CCNC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000563388728 328061397 /nfs/dbraw/zinc/06/13/97/328061397.db2.gz ZRTAIBNDULMHGW-VIFPVBQESA-N 1 2 273.258 1.596 20 30 CDEDLO Cc1noc(CO[NH+]=C(N)Cc2csc(C)n2)n1 ZINC000266242783 328168494 /nfs/dbraw/zinc/16/84/94/328168494.db2.gz AEDNDXMLKVEMBW-UHFFFAOYSA-N 1 2 267.314 1.174 20 30 CDEDLO CN(C)c1ccc(CNC(=O)CC(C)(C)C#N)c[nH+]1 ZINC000278861162 328231248 /nfs/dbraw/zinc/23/12/48/328231248.db2.gz UJINKOIWDFXLSB-UHFFFAOYSA-N 1 2 260.341 1.704 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C/[NH+]=C/c1c(CO)cnc(C)c1O ZINC000281479501 328239719 /nfs/dbraw/zinc/23/97/19/328239719.db2.gz DBYHUEWNSJLHJU-DPNPNPLNSA-N 1 2 290.363 1.988 20 30 CDEDLO Cn1c2ccccc2[nH+]c1CCCNc1ncncc1C#N ZINC000583021734 325090442 /nfs/dbraw/zinc/09/04/42/325090442.db2.gz MFCPCXOMNLFISW-UHFFFAOYSA-N 1 2 292.346 1.702 20 30 CDEDLO Cc1cc(N2CCCN(C(=O)C3CC3)CC2)c(C#N)c[nH+]1 ZINC000583689699 325222471 /nfs/dbraw/zinc/22/24/71/325222471.db2.gz NBTPRDLDFLOASX-UHFFFAOYSA-N 1 2 284.363 1.710 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000584180836 327060595 /nfs/dbraw/zinc/06/05/95/327060595.db2.gz GCGAOTRRZPLUGT-CABCVRRESA-N 1 2 276.384 1.227 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000584180836 327060597 /nfs/dbraw/zinc/06/05/97/327060597.db2.gz GCGAOTRRZPLUGT-CABCVRRESA-N 1 2 276.384 1.227 20 30 CDEDLO C=CCC(C)(C)CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000558471931 327097041 /nfs/dbraw/zinc/09/70/41/327097041.db2.gz KOOHJIYKEMJDBL-UHFFFAOYSA-N 1 2 285.351 1.994 20 30 CDEDLO N#CCCC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000569488185 327185854 /nfs/dbraw/zinc/18/58/54/327185854.db2.gz HTNKZSONTOCNIJ-AWEZNQCLSA-N 1 2 286.379 1.988 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCCCCn1cc[nH+]c1 ZINC000560398247 327304646 /nfs/dbraw/zinc/30/46/46/327304646.db2.gz ZMOMCVUWSGXNGY-KGLIPLIRSA-N 1 2 292.383 1.696 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000565033875 327404189 /nfs/dbraw/zinc/40/41/89/327404189.db2.gz GYLKILNSMBVWPG-YDHLFZDLSA-N 1 2 289.379 1.543 20 30 CDEDLO N#CC1(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CCC1 ZINC000134569228 327495273 /nfs/dbraw/zinc/49/52/73/327495273.db2.gz GLGQYDCGYRZYRM-UHFFFAOYSA-N 1 2 284.363 1.992 20 30 CDEDLO C=C(C)CN(CC)C(=O)CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378431154 329050080 /nfs/dbraw/zinc/05/00/80/329050080.db2.gz DWODLTBUDXZVCT-ZDUSSCGKSA-N 1 2 276.384 1.971 20 30 CDEDLO N#C[C@H]1N(C(=O)Cn2cc[nH+]c2)CCC[C@@]12CCCCO2 ZINC000582521271 329100212 /nfs/dbraw/zinc/10/02/12/329100212.db2.gz YBSRTWQTVQZTSJ-HIFRSBDPSA-N 1 2 288.351 1.337 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)C[C@@H]1CN(c2ccccc2)CCO1 ZINC000583031820 329305237 /nfs/dbraw/zinc/30/52/37/329305237.db2.gz DYPGPPRLXYAGNA-GDBMZVCRSA-N 1 2 273.380 1.983 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H]1CN(c2ccccc2)CCO1 ZINC000583031820 329305239 /nfs/dbraw/zinc/30/52/39/329305239.db2.gz DYPGPPRLXYAGNA-GDBMZVCRSA-N 1 2 273.380 1.983 20 30 CDEDLO C[C@H](C#N)CNC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000583222574 329378362 /nfs/dbraw/zinc/37/83/62/329378362.db2.gz YIWLLJUMMQSYIF-MWLCHTKSSA-N 1 2 261.329 1.330 20 30 CDEDLO O=C(NCC#Cc1ccccc1)NCCn1cc[nH+]c1 ZINC000043310641 329580490 /nfs/dbraw/zinc/58/04/90/329580490.db2.gz YZEVGPGNEMEFRU-UHFFFAOYSA-N 1 2 268.320 1.234 20 30 CDEDLO C=CCCS(=O)(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000130908780 329629700 /nfs/dbraw/zinc/62/97/00/329629700.db2.gz GHDZTZCEGKOPLU-UHFFFAOYSA-N 1 2 291.376 1.868 20 30 CDEDLO COc1cc(C)c(OC[C@H](O)C[N@H+](C)CCC#N)c(C)c1 ZINC000424129108 330259769 /nfs/dbraw/zinc/25/97/69/330259769.db2.gz GBTUJYFBETXBTJ-CQSZACIVSA-N 1 2 292.379 1.897 20 30 CDEDLO COc1cc(C)c(OC[C@H](O)C[N@@H+](C)CCC#N)c(C)c1 ZINC000424129108 330259771 /nfs/dbraw/zinc/25/97/71/330259771.db2.gz GBTUJYFBETXBTJ-CQSZACIVSA-N 1 2 292.379 1.897 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000424647901 330441491 /nfs/dbraw/zinc/44/14/91/330441491.db2.gz RJWBCEFPVKCTCR-UHFFFAOYSA-N 1 2 254.374 1.379 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC(C)(C)CC#N ZINC000459235973 331272492 /nfs/dbraw/zinc/27/24/92/331272492.db2.gz LFIWBSNRWFXCPZ-ZDUSSCGKSA-N 1 2 296.415 1.288 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCc2sccc2C1 ZINC000490674716 332102094 /nfs/dbraw/zinc/10/20/94/332102094.db2.gz CQPRIHFRONFPFS-UHFFFAOYSA-N 1 2 286.400 1.591 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCc2sccc2C1 ZINC000490674716 332102095 /nfs/dbraw/zinc/10/20/95/332102095.db2.gz CQPRIHFRONFPFS-UHFFFAOYSA-N 1 2 286.400 1.591 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)OCC[C@@H]2CCCC2=O)CC1 ZINC000490900815 332127965 /nfs/dbraw/zinc/12/79/65/332127965.db2.gz YGWLPRHARWNCKN-ZDUSSCGKSA-N 1 2 277.364 1.634 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)C1CC1 ZINC000491278268 332179746 /nfs/dbraw/zinc/17/97/46/332179746.db2.gz SIUVFLFDYNJIHA-UHFFFAOYSA-N 1 2 286.331 1.494 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)C1CC1 ZINC000491278268 332179749 /nfs/dbraw/zinc/17/97/49/332179749.db2.gz SIUVFLFDYNJIHA-UHFFFAOYSA-N 1 2 286.331 1.494 20 30 CDEDLO C#CC[N@H+](Cc1cnnn1Cc1ccccc1)C1CC1 ZINC000491617330 332244048 /nfs/dbraw/zinc/24/40/48/332244048.db2.gz BBUFCFMKUYBMMO-UHFFFAOYSA-N 1 2 266.348 1.924 20 30 CDEDLO C#CC[N@@H+](Cc1cnnn1Cc1ccccc1)C1CC1 ZINC000491617330 332244049 /nfs/dbraw/zinc/24/40/49/332244049.db2.gz BBUFCFMKUYBMMO-UHFFFAOYSA-N 1 2 266.348 1.924 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000491636406 332257236 /nfs/dbraw/zinc/25/72/36/332257236.db2.gz WEQMXFWQJKBEMT-ZETCQYMHSA-N 1 2 287.117 1.465 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000491636406 332257237 /nfs/dbraw/zinc/25/72/37/332257237.db2.gz WEQMXFWQJKBEMT-ZETCQYMHSA-N 1 2 287.117 1.465 20 30 CDEDLO C#C[C@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000491662166 332271827 /nfs/dbraw/zinc/27/18/27/332271827.db2.gz LOSXPCLRKXRREJ-RYUDHWBXSA-N 1 2 274.368 1.545 20 30 CDEDLO C#CCn1ccc(CN(CC)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)n1 ZINC000491663442 332272606 /nfs/dbraw/zinc/27/26/06/332272606.db2.gz SBRVWBHQAZQVNV-CYBMUJFWSA-N 1 2 299.378 1.467 20 30 CDEDLO C#CCn1ccc(CN(CC)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)n1 ZINC000491663442 332272607 /nfs/dbraw/zinc/27/26/07/332272607.db2.gz SBRVWBHQAZQVNV-CYBMUJFWSA-N 1 2 299.378 1.467 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc3ccoc3c2)CC1 ZINC000491677662 332282455 /nfs/dbraw/zinc/28/24/55/332282455.db2.gz RFBRXCWYKWAFKG-UHFFFAOYSA-N 1 2 297.358 1.622 20 30 CDEDLO C#C[C@H]1COCCN1C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000491682610 332285343 /nfs/dbraw/zinc/28/53/43/332285343.db2.gz STVXIQAGASLAHF-ZDUSSCGKSA-N 1 2 283.331 1.205 20 30 CDEDLO C#C[C@H]1COCCN1Cc1c[nH+]cn1Cc1ccccc1 ZINC000491729771 332312067 /nfs/dbraw/zinc/31/20/67/332312067.db2.gz NVSJCYFGZUJUMC-INIZCTEOSA-N 1 2 281.359 1.765 20 30 CDEDLO C#CCN(C)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000491734720 332315553 /nfs/dbraw/zinc/31/55/53/332315553.db2.gz NYNKBQXNBMSJOQ-ZDUSSCGKSA-N 1 2 295.333 1.842 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(OC)c(OC)c1 ZINC000491815468 332366641 /nfs/dbraw/zinc/36/66/41/332366641.db2.gz FTJYIWXJQADTSG-NSHDSACASA-N 1 2 276.336 1.596 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(OC)c(OC)c1 ZINC000491815468 332366643 /nfs/dbraw/zinc/36/66/43/332366643.db2.gz FTJYIWXJQADTSG-NSHDSACASA-N 1 2 276.336 1.596 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000494886200 332489640 /nfs/dbraw/zinc/48/96/40/332489640.db2.gz NDRSWKTWCLRICA-RRFJBIMHSA-N 1 2 295.427 1.846 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CC1CCCCC1 ZINC000566306560 334642049 /nfs/dbraw/zinc/64/20/49/334642049.db2.gz SKRIQBDQJJHRHX-AWEZNQCLSA-N 1 2 251.374 1.917 20 30 CDEDLO C=CC[C@H](CO)NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000185832897 333149860 /nfs/dbraw/zinc/14/98/60/333149860.db2.gz XEPDYERKBFHFJG-RZIFZGNASA-N 1 2 297.358 1.939 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000194921711 333279468 /nfs/dbraw/zinc/27/94/68/333279468.db2.gz WCBXUKJJWVQGLS-CYBMUJFWSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000194921711 333279470 /nfs/dbraw/zinc/27/94/70/333279470.db2.gz WCBXUKJJWVQGLS-CYBMUJFWSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000575927856 335132387 /nfs/dbraw/zinc/13/23/87/335132387.db2.gz SVNSFGIALQSRNG-NWDGAFQWSA-N 1 2 251.330 1.135 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1Cc2ccccc2C1 ZINC000530335840 333542951 /nfs/dbraw/zinc/54/29/51/333542951.db2.gz TWMTYDCWGYAXCG-GFCCVEGCSA-N 1 2 269.348 1.953 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)C[NH+]1CCC(CC#N)CC1 ZINC000542879883 333847311 /nfs/dbraw/zinc/84/73/11/333847311.db2.gz XJYMRECPDWQUON-UHFFFAOYSA-N 1 2 289.383 1.601 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccn1 ZINC001754475107 1159224894 /nfs/dbraw/zinc/22/48/94/1159224894.db2.gz KRQGHJHNBPRNSG-AWEZNQCLSA-N 1 2 259.353 1.738 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccn1 ZINC001754475107 1159224899 /nfs/dbraw/zinc/22/48/99/1159224899.db2.gz KRQGHJHNBPRNSG-AWEZNQCLSA-N 1 2 259.353 1.738 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1cccc(C#N)c1 ZINC000566309938 334642066 /nfs/dbraw/zinc/64/20/66/334642066.db2.gz YHOHRZDYCDZCQA-HNNXBMFYSA-N 1 2 270.336 1.061 20 30 CDEDLO CCCc1nc(C)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)s1 ZINC000572575998 334654501 /nfs/dbraw/zinc/65/45/01/334654501.db2.gz CVJNPWVDLMKUHV-CQSZACIVSA-N 1 2 294.424 1.978 20 30 CDEDLO CCCCO[C@@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000567816937 334764049 /nfs/dbraw/zinc/76/40/49/334764049.db2.gz JQAXORRYYUGEBK-WCQYABFASA-N 1 2 255.362 1.152 20 30 CDEDLO N#CC1(CNC(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000569066692 334853678 /nfs/dbraw/zinc/85/36/78/334853678.db2.gz BYDBGKREYLVZRI-UHFFFAOYSA-N 1 2 269.308 1.437 20 30 CDEDLO CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000576758763 335244458 /nfs/dbraw/zinc/24/44/58/335244458.db2.gz GKERXVHELYLEBN-YCPHGPKFSA-N 1 2 295.427 1.932 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000578641759 335657885 /nfs/dbraw/zinc/65/78/85/335657885.db2.gz KFRNRTAZVGDAJP-CQSZACIVSA-N 1 2 290.354 1.407 20 30 CDEDLO CC#CC[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000180983989 335746999 /nfs/dbraw/zinc/74/69/99/335746999.db2.gz BGKLKYRSFFWWDZ-UHFFFAOYSA-N 1 2 268.364 1.704 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CSc1ccc(F)cc1 ZINC000581887440 336160281 /nfs/dbraw/zinc/16/02/81/336160281.db2.gz QICVISSWENCZEF-CQSZACIVSA-N 1 2 295.383 1.878 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)/C=C(/C)CC)C2)C1 ZINC001755401692 1160144901 /nfs/dbraw/zinc/14/49/01/1160144901.db2.gz UVIBONDBOJCPMQ-MLRPBERTSA-N 1 2 290.407 1.669 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)/C=C(/C)CC)C2)C1 ZINC001755401692 1160144903 /nfs/dbraw/zinc/14/49/03/1160144903.db2.gz UVIBONDBOJCPMQ-MLRPBERTSA-N 1 2 290.407 1.669 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([NH2+]Cc2nc(CC)no2)[C@H]1C ZINC001755652497 1160474394 /nfs/dbraw/zinc/47/43/94/1160474394.db2.gz WNMQSNAUPBLIIS-VXGBXAGGSA-N 1 2 292.383 1.677 20 30 CDEDLO C=CCC[C@H](CO)Nc1nc[nH+]c2c1OCCN2 ZINC000665722594 482576681 /nfs/dbraw/zinc/57/66/81/482576681.db2.gz LDHNJIOHGKHVTM-SECBINFHSA-N 1 2 250.302 1.020 20 30 CDEDLO C=CCC[C@H](CO)Nc1[nH+]cnc2c1OCCN2 ZINC000665722594 482576686 /nfs/dbraw/zinc/57/66/86/482576686.db2.gz LDHNJIOHGKHVTM-SECBINFHSA-N 1 2 250.302 1.020 20 30 CDEDLO C=C[C@@](C)(O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000665838256 482723949 /nfs/dbraw/zinc/72/39/49/482723949.db2.gz VIQXJMVCBUHRCX-MRXNPFEDSA-N 1 2 285.347 1.485 20 30 CDEDLO CCc1nc(CN2CC[NH+](CC#CCOC)CC2)cs1 ZINC000677818485 482793873 /nfs/dbraw/zinc/79/38/73/482793873.db2.gz AAUKYBJDNRAVTK-UHFFFAOYSA-N 1 2 293.436 1.473 20 30 CDEDLO C=CCCOCc1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000679420674 483362398 /nfs/dbraw/zinc/36/23/98/483362398.db2.gz RQCZTVJWIXTXFS-GFCCVEGCSA-N 1 2 281.356 1.944 20 30 CDEDLO C=CCCOCc1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000679420674 483362401 /nfs/dbraw/zinc/36/24/01/483362401.db2.gz RQCZTVJWIXTXFS-GFCCVEGCSA-N 1 2 281.356 1.944 20 30 CDEDLO C=C[C@@](C)(O)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000668055322 483549460 /nfs/dbraw/zinc/54/94/60/483549460.db2.gz ZGCXNEQRDRXEMC-LLVKDONJSA-N 1 2 291.273 1.341 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C2(C(F)F)CC2)C1 ZINC001753649108 1185286510 /nfs/dbraw/zinc/28/65/10/1185286510.db2.gz RICWSVPOKMVMAG-LLVKDONJSA-N 1 2 288.338 1.425 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C2(C(F)F)CC2)C1 ZINC001753649108 1185286514 /nfs/dbraw/zinc/28/65/14/1185286514.db2.gz RICWSVPOKMVMAG-LLVKDONJSA-N 1 2 288.338 1.425 20 30 CDEDLO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc(C#N)cs2)C[C@@H]1C ZINC000245891942 525760252 /nfs/dbraw/zinc/76/02/52/525760252.db2.gz OIAZBUNBFCWGSA-QWRGUYRKSA-N 1 2 293.392 1.147 20 30 CDEDLO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc(C#N)cs2)C[C@@H]1C ZINC000245891942 525760259 /nfs/dbraw/zinc/76/02/59/525760259.db2.gz OIAZBUNBFCWGSA-QWRGUYRKSA-N 1 2 293.392 1.147 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc(C#N)cn1)CCC2 ZINC000366689371 525937949 /nfs/dbraw/zinc/93/79/49/525937949.db2.gz QKVMUULIOZJUAR-ZDUSSCGKSA-N 1 2 267.336 1.870 20 30 CDEDLO C=C(C)COCCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000354953662 526648683 /nfs/dbraw/zinc/64/86/83/526648683.db2.gz RTIMDSCZCQXSMG-HNNXBMFYSA-N 1 2 296.411 1.196 20 30 CDEDLO C=C(C)COCCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000354953662 526648685 /nfs/dbraw/zinc/64/86/85/526648685.db2.gz RTIMDSCZCQXSMG-HNNXBMFYSA-N 1 2 296.411 1.196 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000333857288 527511970 /nfs/dbraw/zinc/51/19/70/527511970.db2.gz QVCCMCRUCVDGDK-ILXRZTDVSA-N 1 2 294.395 1.090 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000333857288 527511974 /nfs/dbraw/zinc/51/19/74/527511974.db2.gz QVCCMCRUCVDGDK-ILXRZTDVSA-N 1 2 294.395 1.090 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000353715166 529347473 /nfs/dbraw/zinc/34/74/73/529347473.db2.gz XIRPCDAESZEDJG-OAHLLOKOSA-N 1 2 281.400 1.495 20 30 CDEDLO C[C@H](CNC(=O)[C@H]1CCc2cccnc21)[NH+]1CCOCC1 ZINC000329296916 538556989 /nfs/dbraw/zinc/55/69/89/538556989.db2.gz OYBRJVMUQWODPG-OCCSQVGLSA-N 1 2 289.379 1.789 20 30 CDEDLO C=C(C)CNC(=S)NCC[N@@H+]1CCOCC1(C)C ZINC000728230500 574623546 /nfs/dbraw/zinc/62/35/46/574623546.db2.gz YCPFBSCAJKGXDW-UHFFFAOYSA-N 1 2 271.430 1.137 20 30 CDEDLO C=C(C)CNC(=S)NCC[N@H+]1CCOCC1(C)C ZINC000728230500 574623549 /nfs/dbraw/zinc/62/35/49/574623549.db2.gz YCPFBSCAJKGXDW-UHFFFAOYSA-N 1 2 271.430 1.137 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)nc1 ZINC000728866122 574666701 /nfs/dbraw/zinc/66/67/01/574666701.db2.gz MHIUTCFUAILOPN-AWEZNQCLSA-N 1 2 280.331 1.737 20 30 CDEDLO c1c[nH+]c(CN=Nc2nc(-c3ccncc3)no2)[nH]1 ZINC000731153490 575035542 /nfs/dbraw/zinc/03/55/42/575035542.db2.gz OSKMTIDJHKIRGT-UHFFFAOYSA-N 1 2 255.241 1.301 20 30 CDEDLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000731843992 575065547 /nfs/dbraw/zinc/06/55/47/575065547.db2.gz FKYIYNKQARDZPR-UHFFFAOYSA-N 1 2 276.336 1.972 20 30 CDEDLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000731843992 575065548 /nfs/dbraw/zinc/06/55/48/575065548.db2.gz FKYIYNKQARDZPR-UHFFFAOYSA-N 1 2 276.336 1.972 20 30 CDEDLO C=CC[N@H+](Cn1c2cnccc2n(C)c1=O)C(C)C ZINC000764900210 575075180 /nfs/dbraw/zinc/07/51/80/575075180.db2.gz LSYXGTOAAXKBAT-UHFFFAOYSA-N 1 2 260.341 1.589 20 30 CDEDLO C=CC[N@@H+](Cn1c2cnccc2n(C)c1=O)C(C)C ZINC000764900210 575075181 /nfs/dbraw/zinc/07/51/81/575075181.db2.gz LSYXGTOAAXKBAT-UHFFFAOYSA-N 1 2 260.341 1.589 20 30 CDEDLO C=CC1CCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000732458563 575089971 /nfs/dbraw/zinc/08/99/71/575089971.db2.gz OFGQLHUWHRVDST-CYBMUJFWSA-N 1 2 281.400 1.315 20 30 CDEDLO C=CC1CCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000732458563 575089972 /nfs/dbraw/zinc/08/99/72/575089972.db2.gz OFGQLHUWHRVDST-CYBMUJFWSA-N 1 2 281.400 1.315 20 30 CDEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)C1CCCC1 ZINC000733077757 575100901 /nfs/dbraw/zinc/10/09/01/575100901.db2.gz KQIFFPDTMKBNDH-UHFFFAOYSA-N 1 2 298.456 1.349 20 30 CDEDLO C#CC[N@H+](CC#CC)C[C@H](O)c1cc(OC)ccc1OC ZINC000743854734 576659040 /nfs/dbraw/zinc/65/90/40/576659040.db2.gz KKOQZTBLWJMHFD-INIZCTEOSA-N 1 2 287.359 1.696 20 30 CDEDLO C#CC[N@@H+](CC#CC)C[C@H](O)c1cc(OC)ccc1OC ZINC000743854734 576659042 /nfs/dbraw/zinc/65/90/42/576659042.db2.gz KKOQZTBLWJMHFD-INIZCTEOSA-N 1 2 287.359 1.696 20 30 CDEDLO C=CC[N@H+](CN1C(=O)C[C@]2(CCSC2)C1=O)C1CC1 ZINC000771640512 575599668 /nfs/dbraw/zinc/59/96/68/575599668.db2.gz NZZYLQWQIUKCHD-AWEZNQCLSA-N 1 2 280.393 1.477 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)C[C@]2(CCSC2)C1=O)C1CC1 ZINC000771640512 575599671 /nfs/dbraw/zinc/59/96/71/575599671.db2.gz NZZYLQWQIUKCHD-AWEZNQCLSA-N 1 2 280.393 1.477 20 30 CDEDLO N#Cc1ccc(CNc2nc[nH+]c(N)c2Cl)nc1 ZINC000764899215 575962977 /nfs/dbraw/zinc/96/29/77/575962977.db2.gz MIGCYDMJGIIAQP-UHFFFAOYSA-N 1 2 260.688 1.591 20 30 CDEDLO N#Cc1ccc(CNc2[nH+]cnc(N)c2Cl)nc1 ZINC000764899215 575962981 /nfs/dbraw/zinc/96/29/81/575962981.db2.gz MIGCYDMJGIIAQP-UHFFFAOYSA-N 1 2 260.688 1.591 20 30 CDEDLO C[C@@H]1COCC[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766632219 576117679 /nfs/dbraw/zinc/11/76/79/576117679.db2.gz LIGVKPKXOJUBBK-LBPRGKRZSA-N 1 2 287.363 1.134 20 30 CDEDLO C[C@@H]1COCC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766632219 576117681 /nfs/dbraw/zinc/11/76/81/576117681.db2.gz LIGVKPKXOJUBBK-LBPRGKRZSA-N 1 2 287.363 1.134 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000769227352 576339272 /nfs/dbraw/zinc/33/92/72/576339272.db2.gz ATZUTOSPHFBZOM-LLVKDONJSA-N 1 2 278.302 1.504 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000769227352 576339273 /nfs/dbraw/zinc/33/92/73/576339273.db2.gz ATZUTOSPHFBZOM-LLVKDONJSA-N 1 2 278.302 1.504 20 30 CDEDLO C[NH+](C)C1(C(=O)Nc2cc(C#N)ccc2O)CCC1 ZINC000759713131 576421718 /nfs/dbraw/zinc/42/17/18/576421718.db2.gz HJYRIFHNPVRPKF-UHFFFAOYSA-N 1 2 259.309 1.687 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@](C)(O)c1cccs1 ZINC000740170061 576434150 /nfs/dbraw/zinc/43/41/50/576434150.db2.gz NHQQCLWXEBMLFC-WFASDCNBSA-N 1 2 292.404 1.169 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@](C)(O)c1cccs1 ZINC000740170061 576434154 /nfs/dbraw/zinc/43/41/54/576434154.db2.gz NHQQCLWXEBMLFC-WFASDCNBSA-N 1 2 292.404 1.169 20 30 CDEDLO COCC(N=Nc1ccc(-n2cc[nH+]c2)nn1)C1CC1 ZINC000761832184 576596168 /nfs/dbraw/zinc/59/61/68/576596168.db2.gz XHGRRPFGWAMFFX-UHFFFAOYSA-N 1 2 272.312 1.487 20 30 CDEDLO Cn1cccc1CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761835690 576596913 /nfs/dbraw/zinc/59/69/13/576596913.db2.gz NSQSKJLVBKNERP-UHFFFAOYSA-N 1 2 267.296 1.447 20 30 CDEDLO N#CCCN(CCC#N)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000742360565 576597651 /nfs/dbraw/zinc/59/76/51/576597651.db2.gz HGMJUTILVFPDHI-UHFFFAOYSA-N 1 2 294.318 1.537 20 30 CDEDLO COCC#CCOC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000762830788 576678987 /nfs/dbraw/zinc/67/89/87/576678987.db2.gz FGCVKANYVDVVDP-AWEZNQCLSA-N 1 2 287.359 1.626 20 30 CDEDLO COCC#CCOC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000762830788 576678989 /nfs/dbraw/zinc/67/89/89/576678989.db2.gz FGCVKANYVDVVDP-AWEZNQCLSA-N 1 2 287.359 1.626 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(OC)cs2)CC1 ZINC000746845441 576791677 /nfs/dbraw/zinc/79/16/77/576791677.db2.gz XTANKFQMGIJYGT-UHFFFAOYSA-N 1 2 278.377 1.538 20 30 CDEDLO C#CC[N@@H+]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000748824579 576928143 /nfs/dbraw/zinc/92/81/43/576928143.db2.gz MNBYSWCWEQGKCY-UHFFFAOYSA-N 1 2 252.358 1.951 20 30 CDEDLO C#CC[N@H+]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000748824579 576928141 /nfs/dbraw/zinc/92/81/41/576928141.db2.gz MNBYSWCWEQGKCY-UHFFFAOYSA-N 1 2 252.358 1.951 20 30 CDEDLO Cc1[nH]c[nH+]c1C=Nn1c(C)nc2ccccc2c1=O ZINC000755485859 576946668 /nfs/dbraw/zinc/94/66/68/576946668.db2.gz GEVVKPHSWMHKMX-UHFFFAOYSA-N 1 2 267.292 1.619 20 30 CDEDLO CCn1c(=O)c2ccccc2nc1NN=Cc1c[nH+]cn1C ZINC000755603589 576951259 /nfs/dbraw/zinc/95/12/59/576951259.db2.gz FPMZQQFRTMGQHH-UHFFFAOYSA-N 1 2 296.334 1.596 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C)[nH]c1=O ZINC000756240550 576982661 /nfs/dbraw/zinc/98/26/61/576982661.db2.gz YMLGLRWUTTYPAD-LBPRGKRZSA-N 1 2 259.309 1.132 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C)[nH]c1=O ZINC000756240550 576982662 /nfs/dbraw/zinc/98/26/62/576982662.db2.gz YMLGLRWUTTYPAD-LBPRGKRZSA-N 1 2 259.309 1.132 20 30 CDEDLO C#CCNC(=S)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000758210704 577082540 /nfs/dbraw/zinc/08/25/40/577082540.db2.gz UMUIXMFTXPYVGR-LLVKDONJSA-N 1 2 264.398 1.395 20 30 CDEDLO CCOCC[N@H+](CC)Cn1ccc(C)c(C#N)c1=O ZINC000758221678 577084775 /nfs/dbraw/zinc/08/47/75/577084775.db2.gz AMNKDBHTGYPDQJ-UHFFFAOYSA-N 1 2 263.341 1.344 20 30 CDEDLO CCOCC[N@@H+](CC)Cn1ccc(C)c(C#N)c1=O ZINC000758221678 577084776 /nfs/dbraw/zinc/08/47/76/577084776.db2.gz AMNKDBHTGYPDQJ-UHFFFAOYSA-N 1 2 263.341 1.344 20 30 CDEDLO CCOC[C@H]1CCC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758226677 577085548 /nfs/dbraw/zinc/08/55/48/577085548.db2.gz SFSAGYXOODCKPN-ZDUSSCGKSA-N 1 2 275.352 1.426 20 30 CDEDLO CCOC[C@H]1CCC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758226677 577085552 /nfs/dbraw/zinc/08/55/52/577085552.db2.gz SFSAGYXOODCKPN-ZDUSSCGKSA-N 1 2 275.352 1.426 20 30 CDEDLO C=CCC(CC=C)C(=O)OCC[NH+]1CCOCC1 ZINC000759008918 577148010 /nfs/dbraw/zinc/14/80/10/577148010.db2.gz VRDAXVZHVCTHTE-UHFFFAOYSA-N 1 2 253.342 1.630 20 30 CDEDLO C#C[C@@H](CC)NC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000753162043 577150324 /nfs/dbraw/zinc/15/03/24/577150324.db2.gz YXGOTIQQZGOTGN-ZDUSSCGKSA-N 1 2 284.363 1.896 20 30 CDEDLO C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC000820917384 598191816 /nfs/dbraw/zinc/19/18/16/598191816.db2.gz PGUQYMPRDMHPSP-GFCCVEGCSA-N 1 2 287.363 1.585 20 30 CDEDLO C[N@H+](CCC#N)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000821598298 606332250 /nfs/dbraw/zinc/33/22/50/606332250.db2.gz XMNUCBFTVBKYIY-UHFFFAOYSA-N 1 2 260.276 1.351 20 30 CDEDLO C[N@@H+](CCC#N)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000821598298 606332251 /nfs/dbraw/zinc/33/22/51/606332251.db2.gz XMNUCBFTVBKYIY-UHFFFAOYSA-N 1 2 260.276 1.351 20 30 CDEDLO CC[N@@H+](Cc1cc(-c2nn[nH]n2)cs1)C[C@H](C)C#N ZINC000825428157 608598558 /nfs/dbraw/zinc/59/85/58/608598558.db2.gz DNYFOTBQMKIXQY-SECBINFHSA-N 1 2 276.369 1.910 20 30 CDEDLO CC[N@H+](Cc1cc(-c2nn[nH]n2)cs1)C[C@H](C)C#N ZINC000825428157 608598559 /nfs/dbraw/zinc/59/85/59/608598559.db2.gz DNYFOTBQMKIXQY-SECBINFHSA-N 1 2 276.369 1.910 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CC[C@@H](CC)O2)C1 ZINC000950453440 612991259 /nfs/dbraw/zinc/99/12/59/612991259.db2.gz VTFIUDODZOFKKF-HUUCEWRRSA-N 1 2 278.396 1.500 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cncc(CC)c2)C1 ZINC000950890494 612992942 /nfs/dbraw/zinc/99/29/42/612992942.db2.gz HYYJYPVBPLEUGO-UHFFFAOYSA-N 1 2 285.391 1.814 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2cnoc2CC)CC1 ZINC000982056417 613159845 /nfs/dbraw/zinc/15/98/45/613159845.db2.gz JNCNGGHRUVFLCS-UHFFFAOYSA-N 1 2 261.325 1.018 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2cnoc2CC)CC1 ZINC000982056417 613159846 /nfs/dbraw/zinc/15/98/46/613159846.db2.gz JNCNGGHRUVFLCS-UHFFFAOYSA-N 1 2 261.325 1.018 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2sc(C)cc2OC)CC1 ZINC000982078532 613160479 /nfs/dbraw/zinc/16/04/79/613160479.db2.gz MHIUJQCDJKWOBY-UHFFFAOYSA-N 1 2 292.404 1.846 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2sc(C)cc2OC)CC1 ZINC000982078532 613160481 /nfs/dbraw/zinc/16/04/81/613160481.db2.gz MHIUJQCDJKWOBY-UHFFFAOYSA-N 1 2 292.404 1.846 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](F)C(C)C)CC2)C1 ZINC000949444523 613210598 /nfs/dbraw/zinc/21/05/98/613210598.db2.gz KWYCVLXRQFFLPS-AWEZNQCLSA-N 1 2 296.386 1.307 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](F)C(C)C)CC2)C1 ZINC000949444523 613210599 /nfs/dbraw/zinc/21/05/99/613210599.db2.gz KWYCVLXRQFFLPS-AWEZNQCLSA-N 1 2 296.386 1.307 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3C=CCC3)C2)C1 ZINC000972247206 613212544 /nfs/dbraw/zinc/21/25/44/613212544.db2.gz BXAYORSKYILWGP-DOTOQJQBSA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3C=CCC3)C2)C1 ZINC000972247206 613212546 /nfs/dbraw/zinc/21/25/46/613212546.db2.gz BXAYORSKYILWGP-DOTOQJQBSA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2sc(C)nc2C)C1 ZINC000968628349 613256095 /nfs/dbraw/zinc/25/60/95/613256095.db2.gz WZRKYQHLVJBCBZ-GXFFZTMASA-N 1 2 291.420 1.833 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2sc(C)nc2C)C1 ZINC000968628349 613256097 /nfs/dbraw/zinc/25/60/97/613256097.db2.gz WZRKYQHLVJBCBZ-GXFFZTMASA-N 1 2 291.420 1.833 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c(C)nn(C)c2F)C1 ZINC000957331301 613295961 /nfs/dbraw/zinc/29/59/61/613295961.db2.gz GNHVVEVDJJMFHG-UHFFFAOYSA-N 1 2 294.374 1.590 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H]2OCC[C@H]2CC)CC1 ZINC000948854556 613319684 /nfs/dbraw/zinc/31/96/84/613319684.db2.gz OOWNOYSFVMYVSM-KGLIPLIRSA-N 1 2 266.385 1.522 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2nc(C)ncc2Cl)CC1 ZINC000951206406 613322113 /nfs/dbraw/zinc/32/21/13/613322113.db2.gz JKDLJYLBTKNGSX-UHFFFAOYSA-N 1 2 294.786 1.772 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC000965375848 613375612 /nfs/dbraw/zinc/37/56/12/613375612.db2.gz WYJGBPVFSNMNLJ-RNCFNFMXSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC000965375848 613375613 /nfs/dbraw/zinc/37/56/13/613375613.db2.gz WYJGBPVFSNMNLJ-RNCFNFMXSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccnnc2)C1 ZINC000968357696 613375626 /nfs/dbraw/zinc/37/56/26/613375626.db2.gz RIBPKGQOPCYUJR-MFKMUULPSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccnnc2)C1 ZINC000968357696 613375627 /nfs/dbraw/zinc/37/56/27/613375627.db2.gz RIBPKGQOPCYUJR-MFKMUULPSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)C[C@H]1C ZINC000947483468 613377434 /nfs/dbraw/zinc/37/74/34/613377434.db2.gz CHBNFSDONDMKMD-NXEZZACHSA-N 1 2 283.763 1.140 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)C[C@H]1C ZINC000947483468 613377435 /nfs/dbraw/zinc/37/74/35/613377435.db2.gz CHBNFSDONDMKMD-NXEZZACHSA-N 1 2 283.763 1.140 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)C[C@H]1C ZINC000947483468 613377436 /nfs/dbraw/zinc/37/74/36/613377436.db2.gz CHBNFSDONDMKMD-NXEZZACHSA-N 1 2 283.763 1.140 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)C[C@H]1C ZINC000947483468 613377437 /nfs/dbraw/zinc/37/74/37/613377437.db2.gz CHBNFSDONDMKMD-NXEZZACHSA-N 1 2 283.763 1.140 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccnnc2)C1 ZINC000968357694 613377606 /nfs/dbraw/zinc/37/76/06/613377606.db2.gz RIBPKGQOPCYUJR-GWCFXTLKSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccnnc2)C1 ZINC000968357694 613377607 /nfs/dbraw/zinc/37/76/07/613377607.db2.gz RIBPKGQOPCYUJR-GWCFXTLKSA-N 1 2 294.786 1.669 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)NCC#C[C@H]1CCCCO1 ZINC000891123996 617367955 /nfs/dbraw/zinc/36/79/55/617367955.db2.gz ZOBXSTMDAAJZEZ-CQSZACIVSA-N 1 2 275.352 1.041 20 30 CDEDLO O=C(NCC#C[C@@H]1CCCCO1)c1cccc2[nH+]ccn21 ZINC000891124376 617368577 /nfs/dbraw/zinc/36/85/77/617368577.db2.gz JIVLHNZXWHDHAV-ZDUSSCGKSA-N 1 2 283.331 1.637 20 30 CDEDLO C=CCC[NH+]1CCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000957525379 613512623 /nfs/dbraw/zinc/51/26/23/613512623.db2.gz TZTLGTZOJVBCHF-UHFFFAOYSA-N 1 2 284.363 1.897 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2nc(Cl)cs2)CC1 ZINC000981821941 613557221 /nfs/dbraw/zinc/55/72/21/613557221.db2.gz VLPXDRVSNAVLFY-UHFFFAOYSA-N 1 2 297.811 1.968 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2nc(Cl)cs2)CC1 ZINC000981821941 613557224 /nfs/dbraw/zinc/55/72/24/613557224.db2.gz VLPXDRVSNAVLFY-UHFFFAOYSA-N 1 2 297.811 1.968 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCc2cccs2)CC1 ZINC000957605768 613561715 /nfs/dbraw/zinc/56/17/15/613561715.db2.gz WLPDDIHAVYZMFX-UHFFFAOYSA-N 1 2 276.405 1.848 20 30 CDEDLO Cc1cn(C(C)(C)C(=O)NCC#C[C@@H]2CCCCO2)c[nH+]1 ZINC000891107549 617363870 /nfs/dbraw/zinc/36/38/70/617363870.db2.gz RTVQWJVSUGSPIU-AWEZNQCLSA-N 1 2 289.379 1.615 20 30 CDEDLO C=CCCn1cc(C(=O)N2CC[NH+](CC(=C)C)CC2)nn1 ZINC000951607697 613593243 /nfs/dbraw/zinc/59/32/43/613593243.db2.gz VPCBMGQBTAQIAT-UHFFFAOYSA-N 1 2 289.383 1.188 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC000953831393 613655329 /nfs/dbraw/zinc/65/53/29/613655329.db2.gz WWKXISXWYRYEQB-GJZGRUSLSA-N 1 2 278.396 1.686 20 30 CDEDLO C=CC[N@H+]1CCCN(C(=O)C(=O)C(C)(C)C)CC1 ZINC000980854063 613687740 /nfs/dbraw/zinc/68/77/40/613687740.db2.gz WXMKUXOVSFWPSK-UHFFFAOYSA-N 1 2 252.358 1.322 20 30 CDEDLO C=CC[N@@H+]1CCCN(C(=O)C(=O)C(C)(C)C)CC1 ZINC000980854063 613687743 /nfs/dbraw/zinc/68/77/43/613687743.db2.gz WXMKUXOVSFWPSK-UHFFFAOYSA-N 1 2 252.358 1.322 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccncc2Cl)CC1 ZINC000950513629 613710092 /nfs/dbraw/zinc/71/00/92/613710092.db2.gz IQIUZONSKNZWAI-UHFFFAOYSA-N 1 2 279.771 1.608 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)[C@H]2CCCO2)CC1 ZINC000950360662 613710547 /nfs/dbraw/zinc/71/05/47/613710547.db2.gz QEIJCSCGKYMAQN-QWHCGFSZSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc3n(c2)CCCC3)CC1 ZINC000957971334 613715746 /nfs/dbraw/zinc/71/57/46/613715746.db2.gz RTBKAFVLXAVFPU-UHFFFAOYSA-N 1 2 273.380 1.768 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccnc(OC(C)C)c2)CC1 ZINC000957295603 613717356 /nfs/dbraw/zinc/71/73/56/613717356.db2.gz GWTVHPPOPHPQFT-UHFFFAOYSA-N 1 2 289.379 1.813 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnn3ccc(C)cc23)CC1 ZINC000948878182 613718515 /nfs/dbraw/zinc/71/85/15/613718515.db2.gz HNEKEQCCIFREFD-UHFFFAOYSA-N 1 2 284.363 1.587 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnn(C)c2-n2cccc2)CC1 ZINC000949570938 613718701 /nfs/dbraw/zinc/71/87/01/613718701.db2.gz UCTCVZMTZJXPHJ-UHFFFAOYSA-N 1 2 299.378 1.155 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2n[nH]c(=O)c3ccccc32)CC1 ZINC000957420643 613719228 /nfs/dbraw/zinc/71/92/28/613719228.db2.gz AJXSDPXBOFWVMI-UHFFFAOYSA-N 1 2 298.346 1.279 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccoc3C)C2)C1 ZINC000972252373 613724701 /nfs/dbraw/zinc/72/47/01/613724701.db2.gz FIKNQTCKRDDIDX-INIZCTEOSA-N 1 2 290.363 1.691 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccoc3C)C2)C1 ZINC000972252373 613724702 /nfs/dbraw/zinc/72/47/02/613724702.db2.gz FIKNQTCKRDDIDX-INIZCTEOSA-N 1 2 290.363 1.691 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C1 ZINC000972560755 613724719 /nfs/dbraw/zinc/72/47/19/613724719.db2.gz FLHKCQBCOKPUKN-FMKPAKJESA-N 1 2 294.395 1.043 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C1 ZINC000972560755 613724720 /nfs/dbraw/zinc/72/47/20/613724720.db2.gz FLHKCQBCOKPUKN-FMKPAKJESA-N 1 2 294.395 1.043 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccs3)C2)C1 ZINC000972240433 613724738 /nfs/dbraw/zinc/72/47/38/613724738.db2.gz TXUXNMWZZYEONO-HNNXBMFYSA-N 1 2 292.404 1.851 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccs3)C2)C1 ZINC000972240433 613724740 /nfs/dbraw/zinc/72/47/40/613724740.db2.gz TXUXNMWZZYEONO-HNNXBMFYSA-N 1 2 292.404 1.851 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccnc3)C2)C1 ZINC000972224395 613727059 /nfs/dbraw/zinc/72/70/59/613727059.db2.gz MLEUHIHBLXPBLU-MRXNPFEDSA-N 1 2 287.363 1.185 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccnc3)C2)C1 ZINC000972224395 613727060 /nfs/dbraw/zinc/72/70/60/613727060.db2.gz MLEUHIHBLXPBLU-MRXNPFEDSA-N 1 2 287.363 1.185 20 30 CDEDLO CNc1cc(N2CCO[C@@H](c3cccc(C#N)c3)C2)nc[nH+]1 ZINC000893031913 618073791 /nfs/dbraw/zinc/07/37/91/618073791.db2.gz YXJJTTPZHIINHK-CQSZACIVSA-N 1 2 295.346 1.968 20 30 CDEDLO CNc1cc(N2CCO[C@@H](c3cccc(C#N)c3)C2)[nH+]cn1 ZINC000893031913 618073800 /nfs/dbraw/zinc/07/38/00/618073800.db2.gz YXJJTTPZHIINHK-CQSZACIVSA-N 1 2 295.346 1.968 20 30 CDEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@H]3CO)o2)cc1 ZINC000934023763 617863723 /nfs/dbraw/zinc/86/37/23/617863723.db2.gz LFRCDMDYHMZIDY-LBPRGKRZSA-N 1 2 270.292 1.175 20 30 CDEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H]3CO)o2)cc1 ZINC000934023763 617863725 /nfs/dbraw/zinc/86/37/25/617863725.db2.gz LFRCDMDYHMZIDY-LBPRGKRZSA-N 1 2 270.292 1.175 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2nc3c(s2)CCC3)CCCN1O ZINC000895163551 619387273 /nfs/dbraw/zinc/38/72/73/619387273.db2.gz VXJSSGQBSLDLFK-VIFPVBQESA-N 1 2 267.354 1.102 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2ccccc2Br)CCCN1O ZINC000895165588 619393546 /nfs/dbraw/zinc/39/35/46/619393546.db2.gz LOWJEYGGMNDILA-NSHDSACASA-N 1 2 299.168 1.919 20 30 CDEDLO C#CCSCC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000895482037 619694720 /nfs/dbraw/zinc/69/47/20/619694720.db2.gz CFWOHROTDCABPC-UHFFFAOYSA-N 1 2 281.406 1.436 20 30 CDEDLO C#CCSCC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000895482037 619694722 /nfs/dbraw/zinc/69/47/22/619694722.db2.gz CFWOHROTDCABPC-UHFFFAOYSA-N 1 2 281.406 1.436 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)Nc1ccc(C)nc1C#N ZINC000895798865 619850281 /nfs/dbraw/zinc/85/02/81/619850281.db2.gz JVABYDGPPCMXGZ-ZDUSSCGKSA-N 1 2 274.368 1.784 20 30 CDEDLO Cc1[nH]c(CNC(=O)c2ncc(C#N)cc2C)[nH+]c1C ZINC000896910864 620301488 /nfs/dbraw/zinc/30/14/88/620301488.db2.gz ZTQSVNQBKFYLIO-UHFFFAOYSA-N 1 2 269.308 1.532 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000897307593 620483374 /nfs/dbraw/zinc/48/33/74/620483374.db2.gz RZMYCOAWROXULV-FZMZJTMJSA-N 1 2 292.383 1.091 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897307593 620483376 /nfs/dbraw/zinc/48/33/76/620483376.db2.gz RZMYCOAWROXULV-FZMZJTMJSA-N 1 2 292.383 1.091 20 30 CDEDLO C=C(C)CONC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000898281325 621458028 /nfs/dbraw/zinc/45/80/28/621458028.db2.gz TWJJURSVCADEKX-LBPRGKRZSA-N 1 2 264.329 1.414 20 30 CDEDLO C=C(C)CONC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000898281325 621458043 /nfs/dbraw/zinc/45/80/43/621458043.db2.gz TWJJURSVCADEKX-LBPRGKRZSA-N 1 2 264.329 1.414 20 30 CDEDLO N#Cc1cccc([C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)c1 ZINC000901252304 624043087 /nfs/dbraw/zinc/04/30/87/624043087.db2.gz ZOWCUIFXCLAOPM-OAHLLOKOSA-N 1 2 296.330 1.424 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N(O)Cc1ccc(F)cc1 ZINC000904173836 626210078 /nfs/dbraw/zinc/21/00/78/626210078.db2.gz QTFOLHOVEZDCFE-UHFFFAOYSA-N 1 2 277.299 1.910 20 30 CDEDLO C[N@@H+]1CCO[C@@H](C(=O)N(O)Cc2ccccc2Cl)C1 ZINC000904188940 626214759 /nfs/dbraw/zinc/21/47/59/626214759.db2.gz TYQYQGOSCZYGPK-GFCCVEGCSA-N 1 2 284.743 1.388 20 30 CDEDLO C[N@H+]1CCO[C@@H](C(=O)N(O)Cc2ccccc2Cl)C1 ZINC000904188940 626214762 /nfs/dbraw/zinc/21/47/62/626214762.db2.gz TYQYQGOSCZYGPK-GFCCVEGCSA-N 1 2 284.743 1.388 20 30 CDEDLO C#CC[C@@H](CCOC)NC(=O)CNc1cccc[nH+]1 ZINC000913347931 630450865 /nfs/dbraw/zinc/45/08/65/630450865.db2.gz AZLGHDCTOSZOSP-LBPRGKRZSA-N 1 2 261.325 1.038 20 30 CDEDLO CNC(=S)N[NH+]=Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000915934929 631874945 /nfs/dbraw/zinc/87/49/45/631874945.db2.gz HJJRODGLJDTQNZ-NSHDSACASA-N 1 2 292.408 1.340 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C)cn3)C[C@H]21 ZINC001114022266 1162402762 /nfs/dbraw/zinc/40/27/62/1162402762.db2.gz SBCGNHLWNPJDNN-VIKVFOODSA-N 1 2 286.379 1.298 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(C)cn3)C[C@H]21 ZINC001114022266 1162402765 /nfs/dbraw/zinc/40/27/65/1162402765.db2.gz SBCGNHLWNPJDNN-VIKVFOODSA-N 1 2 286.379 1.298 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)nn2C)[C@H]1C ZINC001088484085 1160450002 /nfs/dbraw/zinc/45/00/02/1160450002.db2.gz NNZCCLLSIZZPAM-NEPJUHHUSA-N 1 2 296.802 1.674 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)nn2C)[C@H]1C ZINC001088484085 1160450006 /nfs/dbraw/zinc/45/00/06/1160450006.db2.gz NNZCCLLSIZZPAM-NEPJUHHUSA-N 1 2 296.802 1.674 20 30 CDEDLO C#CCOCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001132042372 1163150851 /nfs/dbraw/zinc/15/08/51/1163150851.db2.gz UHGQBYPENSHIAG-KBPBESRZSA-N 1 2 298.814 1.748 20 30 CDEDLO C#CCOCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=C)Cl)C1 ZINC001132042372 1163150854 /nfs/dbraw/zinc/15/08/54/1163150854.db2.gz UHGQBYPENSHIAG-KBPBESRZSA-N 1 2 298.814 1.748 20 30 CDEDLO C#CCNC(=O)C[N@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000810098347 1163161920 /nfs/dbraw/zinc/16/19/20/1163161920.db2.gz UHZKGCVGRWEYIS-UHFFFAOYSA-N 1 2 284.359 1.292 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000810098347 1163161923 /nfs/dbraw/zinc/16/19/23/1163161923.db2.gz UHZKGCVGRWEYIS-UHFFFAOYSA-N 1 2 284.359 1.292 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccnc(N(C)C)c2)n1 ZINC000789330092 1162085021 /nfs/dbraw/zinc/08/50/21/1162085021.db2.gz WMPJVOZHFDGGBB-UHFFFAOYSA-N 1 2 297.406 1.999 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccnc(N(C)C)c2)n1 ZINC000789330092 1162085023 /nfs/dbraw/zinc/08/50/23/1162085023.db2.gz WMPJVOZHFDGGBB-UHFFFAOYSA-N 1 2 297.406 1.999 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001132564245 1163373664 /nfs/dbraw/zinc/37/36/64/1163373664.db2.gz BIEKLBIIEYGXCU-QWRGUYRKSA-N 1 2 279.384 1.955 20 30 CDEDLO C=CCC1(C(=O)NCC[NH2+]Cc2nnc(C)o2)CCC1 ZINC001133392464 1163670219 /nfs/dbraw/zinc/67/02/19/1163670219.db2.gz YHRXXIRWLRWPQD-UHFFFAOYSA-N 1 2 278.356 1.330 20 30 CDEDLO N#Cc1ccc(CNC(=O)/C=C/C[NH+]2CCOCC2)cc1 ZINC000864789667 1164582823 /nfs/dbraw/zinc/58/28/23/1164582823.db2.gz SXMZKLVPJBKKED-OWOJBTEDSA-N 1 2 285.347 1.063 20 30 CDEDLO CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140813023 1167057254 /nfs/dbraw/zinc/05/72/54/1167057254.db2.gz SUXAAFGAFDTYOC-CYBMUJFWSA-N 1 2 277.755 1.922 20 30 CDEDLO C[C@@H](C#N)CN(C)c1nnc(C[NH+]2CCCCC2)n1C ZINC001647685426 1169017491 /nfs/dbraw/zinc/01/74/91/1169017491.db2.gz NGLDDRVMXBJENQ-LBPRGKRZSA-N 1 2 276.388 1.397 20 30 CDEDLO Cn1c[nH+]cc1CNc1c(C#N)cccc1-c1nn[nH]n1 ZINC001592590126 1173923439 /nfs/dbraw/zinc/92/34/39/1173923439.db2.gz LNIZYALZSJGQAO-UHFFFAOYSA-N 1 2 280.295 1.084 20 30 CDEDLO N#C[C@@H]1CC[C@@H]([NH2+]Cc2nc(-c3nn[nH]n3)cs2)C1 ZINC001592672424 1173963288 /nfs/dbraw/zinc/96/32/88/1173963288.db2.gz IDGDEAPKEOSILI-HTQZYQBOSA-N 1 2 275.341 1.105 20 30 CDEDLO C#CCN1CC[NH+](Cc2c(C)nc3ccccn32)CC1 ZINC000120501710 1175182865 /nfs/dbraw/zinc/18/28/65/1175182865.db2.gz HNWYZFZCTYRDMS-UHFFFAOYSA-N 1 2 268.364 1.394 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cccn1C ZINC001700472372 1176964259 /nfs/dbraw/zinc/96/42/59/1176964259.db2.gz FGJYYXQRQXHDMQ-LLVKDONJSA-N 1 2 269.776 1.828 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cccn1C ZINC001700472372 1176964267 /nfs/dbraw/zinc/96/42/67/1176964267.db2.gz FGJYYXQRQXHDMQ-LLVKDONJSA-N 1 2 269.776 1.828 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)NCCc2ccccc2)CC1 ZINC000244032267 1180581477 /nfs/dbraw/zinc/58/14/77/1180581477.db2.gz STRZFEMGNGCMQB-UHFFFAOYSA-N 1 2 273.380 1.742 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCOCC)C1 ZINC001753397987 1184529147 /nfs/dbraw/zinc/52/91/47/1184529147.db2.gz XHCYLQUUPWDSBX-UHFFFAOYSA-N 1 2 260.765 1.214 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CCF)CC1 ZINC001753423318 1184533444 /nfs/dbraw/zinc/53/34/44/1184533444.db2.gz DQVORMWTWIILSQ-STQMWFEESA-N 1 2 264.344 1.435 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CCF)CC1 ZINC001753423318 1184533449 /nfs/dbraw/zinc/53/34/49/1184533449.db2.gz DQVORMWTWIILSQ-STQMWFEESA-N 1 2 264.344 1.435 20 30 CDEDLO CC#CC[NH2+][C@H](CNC(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC001752462326 1184866473 /nfs/dbraw/zinc/86/64/73/1184866473.db2.gz CXBQRKLNMWRXGX-NXEZZACHSA-N 1 2 280.265 1.395 20 30 CDEDLO CC#CC[NH2+][C@H](CNC(=O)C(F)C(F)(F)F)C1CC1 ZINC001752462326 1184866468 /nfs/dbraw/zinc/86/64/68/1184866468.db2.gz CXBQRKLNMWRXGX-NXEZZACHSA-N 1 2 280.265 1.395 20 30 CDEDLO Cc1nnc(C[NH2+][C@@H](C)CNC(=O)C#CC(C)(C)C)o1 ZINC001752870064 1184942798 /nfs/dbraw/zinc/94/27/98/1184942798.db2.gz QCERYUXOKVLCOP-JTQLQIEISA-N 1 2 278.356 1.022 20 30 CDEDLO C#CCCCCC(=O)NCC[N@@H+](C)Cc1ccnn1C ZINC001753045799 1185014391 /nfs/dbraw/zinc/01/43/91/1185014391.db2.gz DWGWJPPRLVUFCB-UHFFFAOYSA-N 1 2 276.384 1.162 20 30 CDEDLO C#CCCCCC(=O)NCC[N@H+](C)Cc1ccnn1C ZINC001753045799 1185014399 /nfs/dbraw/zinc/01/43/99/1185014399.db2.gz DWGWJPPRLVUFCB-UHFFFAOYSA-N 1 2 276.384 1.162 20 30 CDEDLO C=CCCC(=O)NC[C@H]1CCC[N@H+]1Cc1nccn1C ZINC001753099905 1185059737 /nfs/dbraw/zinc/05/97/37/1185059737.db2.gz YUNUASQCFZLVTM-CYBMUJFWSA-N 1 2 276.384 1.467 20 30 CDEDLO C=CCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1nccn1C ZINC001753099905 1185059741 /nfs/dbraw/zinc/05/97/41/1185059741.db2.gz YUNUASQCFZLVTM-CYBMUJFWSA-N 1 2 276.384 1.467 20 30 CDEDLO C=CCCC(=O)NC1C[NH+](C[C@@H]2CC[C@H](C)O2)C1 ZINC001753372016 1185173746 /nfs/dbraw/zinc/17/37/46/1185173746.db2.gz CNRDVJXXJIAQGY-AAEUAGOBSA-N 1 2 252.358 1.321 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)CNC(=O)C2CCCCC2)C1 ZINC001753393298 1185184224 /nfs/dbraw/zinc/18/42/24/1185184224.db2.gz JJRHYGKPJVKPTI-UHFFFAOYSA-N 1 2 293.411 1.059 20 30 CDEDLO CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@@H]1CCN(CC#N)C1 ZINC001753459596 1185220013 /nfs/dbraw/zinc/22/00/13/1185220013.db2.gz RRWRTASMXVKNMG-UONOGXRCSA-N 1 2 289.383 1.281 20 30 CDEDLO CC#CC[NH2+]C[C@@H](NC(=O)C(F)C(F)(F)F)C1CC1 ZINC001754440231 1185618790 /nfs/dbraw/zinc/61/87/90/1185618790.db2.gz CARMWKSTZWBHFR-NXEZZACHSA-N 1 2 280.265 1.395 20 30 CDEDLO CC#CC[NH2+]C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC001754440231 1185618793 /nfs/dbraw/zinc/61/87/93/1185618793.db2.gz CARMWKSTZWBHFR-NXEZZACHSA-N 1 2 280.265 1.395 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1(CCOC)CCC1 ZINC001754499587 1185643781 /nfs/dbraw/zinc/64/37/81/1185643781.db2.gz BCPKNYSRISXREZ-CYBMUJFWSA-N 1 2 264.369 1.017 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1(CCOC)CCC1 ZINC001754499587 1185643785 /nfs/dbraw/zinc/64/37/85/1185643785.db2.gz BCPKNYSRISXREZ-CYBMUJFWSA-N 1 2 264.369 1.017 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N(C)C1C[NH+](CCOC)C1)OCC ZINC001754576317 1185672471 /nfs/dbraw/zinc/67/24/71/1185672471.db2.gz HLXZINFZRONNKQ-CQSZACIVSA-N 1 2 284.400 1.147 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)C[C@H](C)OC)O2 ZINC001755052905 1185799574 /nfs/dbraw/zinc/79/95/74/1185799574.db2.gz KGGWEGNOEJROEK-UONOGXRCSA-N 1 2 296.411 1.337 20 30 CDEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[C@H](CC)O2)C1 ZINC001755334013 1185921577 /nfs/dbraw/zinc/92/15/77/1185921577.db2.gz RKBODULDACLSQQ-KBPBESRZSA-N 1 2 296.411 1.073 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@H](C)[NH2+]Cc1nc(CC)no1 ZINC001755588842 1186003622 /nfs/dbraw/zinc/00/36/22/1186003622.db2.gz HOJNQPIQRDGKKY-LBPRGKRZSA-N 1 2 294.399 1.925 20 30 CDEDLO CC(C)(C)[NH+]1CCN(C(=O)c2ccc(C#N)cc2O)CC1 ZINC001195742118 1164403836 /nfs/dbraw/zinc/40/38/36/1164403836.db2.gz XWQDESJDKSGAKE-UHFFFAOYSA-N 1 2 287.363 1.820 20 30 CDEDLO C=CC[NH+]1CCN(c2ncnc(C)c2C(=O)OCC)CC1 ZINC001165031712 721867419 /nfs/dbraw/zinc/86/74/19/721867419.db2.gz RKXJWHULHUMLOW-UHFFFAOYSA-N 1 2 290.367 1.270 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@]1(F)CCOC1 ZINC001438903493 963595848 /nfs/dbraw/zinc/59/58/48/963595848.db2.gz RVEYLZLXGMSDLT-LBPRGKRZSA-N 1 2 278.755 1.258 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc3c(c2)CCCO3)C1 ZINC001030484165 818010811 /nfs/dbraw/zinc/01/08/11/818010811.db2.gz GAFXHXCBGGFNBK-UHFFFAOYSA-N 1 2 298.386 1.378 20 30 CDEDLO C#CCOc1ccc(NC(=O)NCc2c[nH+]cn2C)cc1 ZINC000809877594 818045759 /nfs/dbraw/zinc/04/57/59/818045759.db2.gz NMBGETCOQQEOIT-UHFFFAOYSA-N 1 2 284.319 1.754 20 30 CDEDLO Cc1nc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)co1 ZINC001075616333 818045966 /nfs/dbraw/zinc/04/59/66/818045966.db2.gz PMJKRGQDZBENBV-VHRBIJSZSA-N 1 2 288.351 1.175 20 30 CDEDLO Cc1nc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)co1 ZINC001075616333 818045972 /nfs/dbraw/zinc/04/59/72/818045972.db2.gz PMJKRGQDZBENBV-VHRBIJSZSA-N 1 2 288.351 1.175 20 30 CDEDLO N#Cc1ccc(OCCO[NH+]=C(N)Cc2cccnc2)cc1 ZINC000137651025 818057257 /nfs/dbraw/zinc/05/72/57/818057257.db2.gz PYLZPXYMYYJFTD-UHFFFAOYSA-N 1 2 296.330 1.864 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(Cl)[nH]2)C1 ZINC001035500103 818066396 /nfs/dbraw/zinc/06/63/96/818066396.db2.gz QTMBVYMTBKKFJL-JTQLQIEISA-N 1 2 283.759 1.285 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(Cl)[nH]2)C1 ZINC001035500103 818066402 /nfs/dbraw/zinc/06/64/02/818066402.db2.gz QTMBVYMTBKKFJL-JTQLQIEISA-N 1 2 283.759 1.285 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H]2Cc3ccccc3O2)C1 ZINC001043264935 818082142 /nfs/dbraw/zinc/08/21/42/818082142.db2.gz LLLUMSYFEOYVSJ-MRXNPFEDSA-N 1 2 284.359 1.156 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCCC1CCCC1 ZINC000884082646 818116326 /nfs/dbraw/zinc/11/63/26/818116326.db2.gz PJVBMCQZUXXXKZ-ZDUSSCGKSA-N 1 2 282.384 1.520 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2ccncn2)CC1 ZINC001001278135 818130362 /nfs/dbraw/zinc/13/03/62/818130362.db2.gz BERDQRZYRXZNOV-UHFFFAOYSA-N 1 2 292.770 1.591 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2ccncn2)CC1 ZINC001001278135 818130375 /nfs/dbraw/zinc/13/03/75/818130375.db2.gz BERDQRZYRXZNOV-UHFFFAOYSA-N 1 2 292.770 1.591 20 30 CDEDLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000712276356 818183104 /nfs/dbraw/zinc/18/31/04/818183104.db2.gz FNLHKGBUCGUAIY-JTQLQIEISA-N 1 2 299.783 1.194 20 30 CDEDLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000712276356 818183128 /nfs/dbraw/zinc/18/31/28/818183128.db2.gz FNLHKGBUCGUAIY-JTQLQIEISA-N 1 2 299.783 1.194 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c2cccnc12 ZINC001018179065 818193104 /nfs/dbraw/zinc/19/31/04/818193104.db2.gz AYLRIWPIHXIGIZ-BETUJISGSA-N 1 2 294.358 1.485 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c2cccnc12 ZINC001018179065 818193121 /nfs/dbraw/zinc/19/31/21/818193121.db2.gz AYLRIWPIHXIGIZ-BETUJISGSA-N 1 2 294.358 1.485 20 30 CDEDLO C[C@H]1C[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032569555 818233583 /nfs/dbraw/zinc/23/35/83/818233583.db2.gz PKJJQFYPKXVDSL-STECZYCISA-N 1 2 295.386 1.999 20 30 CDEDLO C[C@H]1C[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032569555 818233598 /nfs/dbraw/zinc/23/35/98/818233598.db2.gz PKJJQFYPKXVDSL-STECZYCISA-N 1 2 295.386 1.999 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1COc2ccccc2C1 ZINC001038485354 818253930 /nfs/dbraw/zinc/25/39/30/818253930.db2.gz OBGIUQYWGOMHMI-CABCVRRESA-N 1 2 284.359 1.061 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1COc2ccccc2C1 ZINC001038485354 818253937 /nfs/dbraw/zinc/25/39/37/818253937.db2.gz OBGIUQYWGOMHMI-CABCVRRESA-N 1 2 284.359 1.061 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cn[nH]c2)C1 ZINC001046163688 818273749 /nfs/dbraw/zinc/27/37/49/818273749.db2.gz HBTCMEHAVGKIEK-GFCCVEGCSA-N 1 2 268.748 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cn[nH]c2)C1 ZINC001046163688 818273758 /nfs/dbraw/zinc/27/37/58/818273758.db2.gz HBTCMEHAVGKIEK-GFCCVEGCSA-N 1 2 268.748 1.356 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(Cl)cc2)C1 ZINC001031294525 818318248 /nfs/dbraw/zinc/31/82/48/818318248.db2.gz REFMCRZUVURPAY-UHFFFAOYSA-N 1 2 262.740 1.777 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]nnc1C ZINC001028064869 818382594 /nfs/dbraw/zinc/38/25/94/818382594.db2.gz UAIODBWBHKSKKO-SNVBAGLBSA-N 1 2 283.763 1.060 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]nnc1C ZINC001028064869 818382601 /nfs/dbraw/zinc/38/26/01/818382601.db2.gz UAIODBWBHKSKKO-SNVBAGLBSA-N 1 2 283.763 1.060 20 30 CDEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@H](CC(N)=O)C2)c1=S ZINC000808228417 818383700 /nfs/dbraw/zinc/38/37/00/818383700.db2.gz ITJBQPRWGKOLJD-LLVKDONJSA-N 1 2 295.412 1.063 20 30 CDEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@H](CC(N)=O)C2)c1=S ZINC000808228417 818383704 /nfs/dbraw/zinc/38/37/04/818383704.db2.gz ITJBQPRWGKOLJD-LLVKDONJSA-N 1 2 295.412 1.063 20 30 CDEDLO C[C@H]1C[NH+]=C(NN=Cc2ccc3ccc(F)c(F)c3n2)N1 ZINC000814896912 818395329 /nfs/dbraw/zinc/39/53/29/818395329.db2.gz AMCQYMRRDNNOTL-QMMMGPOBSA-N 1 2 289.289 1.784 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000831472780 818451688 /nfs/dbraw/zinc/45/16/88/818451688.db2.gz MWTVVGHMZGRQPW-LBPRGKRZSA-N 1 2 292.358 1.033 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2OCCc3ccccc32)C1 ZINC001031282219 818459002 /nfs/dbraw/zinc/45/90/02/818459002.db2.gz ZDVDCCYLUQHYCS-QGZVFWFLSA-N 1 2 298.386 1.514 20 30 CDEDLO C=CCN(CC=C)C(=O)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845278710 818484947 /nfs/dbraw/zinc/48/49/47/818484947.db2.gz QNNZXZZLJBEHQI-CYBMUJFWSA-N 1 2 291.351 1.578 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cn2cccn2)C1 ZINC001032904312 818493606 /nfs/dbraw/zinc/49/36/06/818493606.db2.gz GKFGABHTWFCXNP-LBPRGKRZSA-N 1 2 282.775 1.168 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cccn2)C1 ZINC001032904312 818493616 /nfs/dbraw/zinc/49/36/16/818493616.db2.gz GKFGABHTWFCXNP-LBPRGKRZSA-N 1 2 282.775 1.168 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)C)C[C@H]21 ZINC001074389827 818504489 /nfs/dbraw/zinc/50/44/89/818504489.db2.gz JZIPVPOPUUERIV-KGLIPLIRSA-N 1 2 278.396 1.358 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)C)C[C@H]21 ZINC001074389827 818504497 /nfs/dbraw/zinc/50/44/97/818504497.db2.gz JZIPVPOPUUERIV-KGLIPLIRSA-N 1 2 278.396 1.358 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCCO1)CO2 ZINC001053779606 818517495 /nfs/dbraw/zinc/51/74/95/818517495.db2.gz VAQPQWFQKOWMLU-ZIAGYGMSSA-N 1 2 294.395 1.091 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](C)c2cncnc2)C1 ZINC001043617886 818527442 /nfs/dbraw/zinc/52/74/42/818527442.db2.gz SDANETDVVXZVHB-LBPRGKRZSA-N 1 2 274.368 1.299 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)cc1F ZINC001038743818 818532129 /nfs/dbraw/zinc/53/21/29/818532129.db2.gz RRUIWWHGQMDMIY-LBPRGKRZSA-N 1 2 260.312 1.571 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)cc1F ZINC001038743818 818532136 /nfs/dbraw/zinc/53/21/36/818532136.db2.gz RRUIWWHGQMDMIY-LBPRGKRZSA-N 1 2 260.312 1.571 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCC[C@@H]1CC=C ZINC000884395447 818572226 /nfs/dbraw/zinc/57/22/26/818572226.db2.gz BWWKRFCTWJXXSE-MELADBBJSA-N 1 2 294.395 1.684 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccn2C(C)C)C1 ZINC001044303767 818614197 /nfs/dbraw/zinc/61/41/97/818614197.db2.gz GVYFYFDIOBSLEQ-UHFFFAOYSA-N 1 2 273.380 1.849 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cn3cccnc3n2)C1 ZINC001043217988 818645639 /nfs/dbraw/zinc/64/56/39/818645639.db2.gz AWLGMSYOEDUEDV-UHFFFAOYSA-N 1 2 285.351 1.062 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1csc(C(C)(C)C)n1 ZINC001038817056 818656682 /nfs/dbraw/zinc/65/66/82/818656682.db2.gz TVRWEYIGSLSTOS-LLVKDONJSA-N 1 2 291.420 1.878 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1csc(C(C)(C)C)n1 ZINC001038817056 818656686 /nfs/dbraw/zinc/65/66/86/818656686.db2.gz TVRWEYIGSLSTOS-LLVKDONJSA-N 1 2 291.420 1.878 20 30 CDEDLO C=CCn1c(C)nn(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1=S ZINC000872785388 818707088 /nfs/dbraw/zinc/70/70/88/818707088.db2.gz QQVYGEBYENFLBX-TXEJJXNPSA-N 1 2 280.397 1.444 20 30 CDEDLO C=CCn1c(C)nn(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1=S ZINC000872785388 818707094 /nfs/dbraw/zinc/70/70/94/818707094.db2.gz QQVYGEBYENFLBX-TXEJJXNPSA-N 1 2 280.397 1.444 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000884071169 818708756 /nfs/dbraw/zinc/70/87/56/818708756.db2.gz LEKLKLDJBBFSDC-IHRRRGAJSA-N 1 2 288.347 1.105 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC(F)F)C1CCC1 ZINC000925253133 818716414 /nfs/dbraw/zinc/71/64/14/818716414.db2.gz VWSAWQPDSXHJBD-LBPRGKRZSA-N 1 2 270.323 1.730 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC(F)F)C1CCC1 ZINC000925253133 818716415 /nfs/dbraw/zinc/71/64/15/818716415.db2.gz VWSAWQPDSXHJBD-LBPRGKRZSA-N 1 2 270.323 1.730 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H]2CCCOC2)C1 ZINC001044305058 818723117 /nfs/dbraw/zinc/72/31/17/818723117.db2.gz CNAXTMBFEKLSJL-ZDUSSCGKSA-N 1 2 266.385 1.522 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCC2(C#N)CC2)C1 ZINC000797582810 818738092 /nfs/dbraw/zinc/73/80/92/818738092.db2.gz NQUSDHVRMILYCG-LBPRGKRZSA-N 1 2 287.367 1.613 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000778458366 818739583 /nfs/dbraw/zinc/73/95/83/818739583.db2.gz YXOTUTDEYTWMRH-STQMWFEESA-N 1 2 278.396 1.546 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000778458366 818739586 /nfs/dbraw/zinc/73/95/86/818739586.db2.gz YXOTUTDEYTWMRH-STQMWFEESA-N 1 2 278.396 1.546 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ncoc2CC)C1 ZINC001035319748 818749501 /nfs/dbraw/zinc/74/95/01/818749501.db2.gz MDNXMLNZBGMMIR-GFCCVEGCSA-N 1 2 293.367 1.244 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ncoc2CC)C1 ZINC001035319748 818749505 /nfs/dbraw/zinc/74/95/05/818749505.db2.gz MDNXMLNZBGMMIR-GFCCVEGCSA-N 1 2 293.367 1.244 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)CCCC(=O)C2CC2)C1 ZINC000923557056 818755566 /nfs/dbraw/zinc/75/55/66/818755566.db2.gz JPQYJGOUSCUIGE-AWEZNQCLSA-N 1 2 276.380 1.350 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)CCCC(=O)C2CC2)C1 ZINC000923557056 818755574 /nfs/dbraw/zinc/75/55/74/818755574.db2.gz JPQYJGOUSCUIGE-AWEZNQCLSA-N 1 2 276.380 1.350 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)cc(OC)c2C)C1 ZINC001030614207 818798677 /nfs/dbraw/zinc/79/86/77/818798677.db2.gz DSYATRCZILTWAC-UHFFFAOYSA-N 1 2 286.375 1.749 20 30 CDEDLO C#C[C@H]([NH2+]Cc1ccoc1C(=O)OC)[C@@H]1CCCO1 ZINC000775798187 818807981 /nfs/dbraw/zinc/80/79/81/818807981.db2.gz IRJMFXZHXZRIRO-RYUDHWBXSA-N 1 2 263.293 1.337 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2ccccc2nn1 ZINC001038573526 818860706 /nfs/dbraw/zinc/86/07/06/818860706.db2.gz XVLNYGVLXOIKPF-CYBMUJFWSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2ccccc2nn1 ZINC001038573526 818860709 /nfs/dbraw/zinc/86/07/09/818860709.db2.gz XVLNYGVLXOIKPF-CYBMUJFWSA-N 1 2 280.331 1.067 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(C(C)C)c1C ZINC001038897887 818871646 /nfs/dbraw/zinc/87/16/46/818871646.db2.gz XIMYJWGHMTTXQX-AWEZNQCLSA-N 1 2 288.395 1.600 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(C(C)C)c1C ZINC001038897887 818871647 /nfs/dbraw/zinc/87/16/47/818871647.db2.gz XIMYJWGHMTTXQX-AWEZNQCLSA-N 1 2 288.395 1.600 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](C)C1 ZINC001018021713 818933770 /nfs/dbraw/zinc/93/37/70/818933770.db2.gz CKCOGVWZCCYJAO-LJISPDSOSA-N 1 2 260.381 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](C)C1 ZINC001018021713 818933774 /nfs/dbraw/zinc/93/37/74/818933774.db2.gz CKCOGVWZCCYJAO-LJISPDSOSA-N 1 2 260.381 1.731 20 30 CDEDLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000882764260 818940434 /nfs/dbraw/zinc/94/04/34/818940434.db2.gz OJTQUMMXZYKCGQ-NSHDSACASA-N 1 2 297.355 1.070 20 30 CDEDLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000882764260 818940440 /nfs/dbraw/zinc/94/04/40/818940440.db2.gz OJTQUMMXZYKCGQ-NSHDSACASA-N 1 2 297.355 1.070 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc(C(C)C)oc1C ZINC001038255394 818954669 /nfs/dbraw/zinc/95/46/69/818954669.db2.gz OBAJKKMJTNPRKC-CYBMUJFWSA-N 1 2 289.379 1.934 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1nc(C(C)C)oc1C ZINC001038255394 818954672 /nfs/dbraw/zinc/95/46/72/818954672.db2.gz OBAJKKMJTNPRKC-CYBMUJFWSA-N 1 2 289.379 1.934 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnccc2C)C1 ZINC001035321213 818954906 /nfs/dbraw/zinc/95/49/06/818954906.db2.gz YYNLRPAIRXNKIM-AWEZNQCLSA-N 1 2 289.379 1.397 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnccc2C)C1 ZINC001035321213 818954912 /nfs/dbraw/zinc/95/49/12/818954912.db2.gz YYNLRPAIRXNKIM-AWEZNQCLSA-N 1 2 289.379 1.397 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCCN2CCOC2=O)ccc1F ZINC000882959932 818960485 /nfs/dbraw/zinc/96/04/85/818960485.db2.gz UGRCAXJBGVDQTE-UHFFFAOYSA-N 1 2 281.287 1.223 20 30 CDEDLO N#Cc1ccc(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)nc1 ZINC000844136284 818963744 /nfs/dbraw/zinc/96/37/44/818963744.db2.gz FOHPFPGKUFHESG-LBPRGKRZSA-N 1 2 281.319 1.029 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1C(C)(C)C1(C)C ZINC001017448151 818967163 /nfs/dbraw/zinc/96/71/63/818967163.db2.gz WKDZUYZUOLOVQF-BETUJISGSA-N 1 2 274.408 1.977 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1C(C)(C)C1(C)C ZINC001017448151 818967166 /nfs/dbraw/zinc/96/71/66/818967166.db2.gz WKDZUYZUOLOVQF-BETUJISGSA-N 1 2 274.408 1.977 20 30 CDEDLO C[C@@]12CC[N@H+](CC(=O)NCC#N)C[C@@H]1C2(Cl)Cl ZINC000792896527 818989872 /nfs/dbraw/zinc/98/98/72/818989872.db2.gz AEHIYKTWEBGRGX-WCBMZHEXSA-N 1 2 276.167 1.142 20 30 CDEDLO C[C@@]12CC[N@@H+](CC(=O)NCC#N)C[C@@H]1C2(Cl)Cl ZINC000792896527 818989888 /nfs/dbraw/zinc/98/98/88/818989888.db2.gz AEHIYKTWEBGRGX-WCBMZHEXSA-N 1 2 276.167 1.142 20 30 CDEDLO C#CCOCC[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000851805346 819019200 /nfs/dbraw/zinc/01/92/00/819019200.db2.gz ALUAAPMKUGLEEY-UHFFFAOYSA-N 1 2 251.276 1.973 20 30 CDEDLO C#CCOCC[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000851805346 819019204 /nfs/dbraw/zinc/01/92/04/819019204.db2.gz ALUAAPMKUGLEEY-UHFFFAOYSA-N 1 2 251.276 1.973 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(C)n(C)nc2Cl)C1 ZINC001044238926 819025075 /nfs/dbraw/zinc/02/50/75/819025075.db2.gz KVBHDDIXFRRPHY-UHFFFAOYSA-N 1 2 294.786 1.161 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2cn3cccc(C)c3n2)C1 ZINC001031102394 819103702 /nfs/dbraw/zinc/10/37/02/819103702.db2.gz BFCRAFJFXHSUAI-UHFFFAOYSA-N 1 2 296.374 1.009 20 30 CDEDLO Cc1[nH]c(CN2CCN(c3ccc(C#N)nc3)CC2)[nH+]c1C ZINC000862423470 819197648 /nfs/dbraw/zinc/19/76/48/819197648.db2.gz UOYUDDQMTQWUFQ-UHFFFAOYSA-N 1 2 296.378 1.615 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)nn1 ZINC001017546782 819229858 /nfs/dbraw/zinc/22/98/58/819229858.db2.gz TUJNNSAYQQIAPW-OKILXGFUSA-N 1 2 284.363 1.097 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)nn1 ZINC001017546782 819229862 /nfs/dbraw/zinc/22/98/62/819229862.db2.gz TUJNNSAYQQIAPW-OKILXGFUSA-N 1 2 284.363 1.097 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1nc2ccccc2cc1C ZINC001038533827 819236508 /nfs/dbraw/zinc/23/65/08/819236508.db2.gz ZYSRLEIIVMWKMJ-HNNXBMFYSA-N 1 2 293.370 1.981 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1nc2ccccc2cc1C ZINC001038533827 819236522 /nfs/dbraw/zinc/23/65/22/819236522.db2.gz ZYSRLEIIVMWKMJ-HNNXBMFYSA-N 1 2 293.370 1.981 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cccnc2)C1 ZINC001010619603 819237097 /nfs/dbraw/zinc/23/70/97/819237097.db2.gz HHFNYOWWVOZTDG-ZDUSSCGKSA-N 1 2 279.771 1.567 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cccnc2)C1 ZINC001010619603 819237102 /nfs/dbraw/zinc/23/71/02/819237102.db2.gz HHFNYOWWVOZTDG-ZDUSSCGKSA-N 1 2 279.771 1.567 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC2(F)F)C1 ZINC001046299294 819237594 /nfs/dbraw/zinc/23/75/94/819237594.db2.gz JCHAYWYPADJCDA-MWLCHTKSSA-N 1 2 278.730 1.975 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC2(F)F)C1 ZINC001046299294 819237597 /nfs/dbraw/zinc/23/75/97/819237597.db2.gz JCHAYWYPADJCDA-MWLCHTKSSA-N 1 2 278.730 1.975 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1C1CCC1 ZINC001032625150 819246120 /nfs/dbraw/zinc/24/61/20/819246120.db2.gz CROFNYZXROVRAC-KBPBESRZSA-N 1 2 283.375 1.814 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1C1CCC1 ZINC001032625150 819246127 /nfs/dbraw/zinc/24/61/27/819246127.db2.gz CROFNYZXROVRAC-KBPBESRZSA-N 1 2 283.375 1.814 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1(C3CC3)CC1)CO2 ZINC001053838532 819279023 /nfs/dbraw/zinc/27/90/23/819279023.db2.gz FCADHWINYOQMSS-AWEZNQCLSA-N 1 2 288.391 1.159 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c(C)cnn2C)C1 ZINC001015560053 819285117 /nfs/dbraw/zinc/28/51/17/819285117.db2.gz FPBGWEUUWIQLIS-LLVKDONJSA-N 1 2 282.775 1.285 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)cnn2C)C1 ZINC001015560053 819285125 /nfs/dbraw/zinc/28/51/25/819285125.db2.gz FPBGWEUUWIQLIS-LLVKDONJSA-N 1 2 282.775 1.285 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(C)nc2C)CC1 ZINC000831698924 819290278 /nfs/dbraw/zinc/29/02/78/819290278.db2.gz DYJTZZKODMQOOX-UHFFFAOYSA-N 1 2 287.363 1.977 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1OCC[C@H]1CC ZINC001038369341 819325745 /nfs/dbraw/zinc/32/57/45/819325745.db2.gz XEGGNBFXRMCOFH-MCIONIFRSA-N 1 2 264.369 1.015 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1OCC[C@H]1CC ZINC001038369341 819325753 /nfs/dbraw/zinc/32/57/53/819325753.db2.gz XEGGNBFXRMCOFH-MCIONIFRSA-N 1 2 264.369 1.015 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCCO1 ZINC001050868820 819329547 /nfs/dbraw/zinc/32/95/47/819329547.db2.gz NWOVIFQNWWOOBO-HUUCEWRRSA-N 1 2 296.411 1.339 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCCO1 ZINC001050868820 819329551 /nfs/dbraw/zinc/32/95/51/819329551.db2.gz NWOVIFQNWWOOBO-HUUCEWRRSA-N 1 2 296.411 1.339 20 30 CDEDLO C#CCC[NH2+][C@H](C(=O)OC)[C@@H]1CCC[C@@H](OC)C1 ZINC000844445967 819375317 /nfs/dbraw/zinc/37/53/17/819375317.db2.gz IILYQMOZZAFJJX-UPJWGTAASA-N 1 2 253.342 1.346 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccns1 ZINC001038310215 819400542 /nfs/dbraw/zinc/40/05/42/819400542.db2.gz OJWAHVLWWHNXSN-SNVBAGLBSA-N 1 2 251.355 1.523 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1ccns1 ZINC001038310215 819400544 /nfs/dbraw/zinc/40/05/44/819400544.db2.gz OJWAHVLWWHNXSN-SNVBAGLBSA-N 1 2 251.355 1.523 20 30 CDEDLO CCOC(CO[NH+]=C(N)Cc1ccccc1)OCC ZINC000188954093 819468697 /nfs/dbraw/zinc/46/86/97/819468697.db2.gz JMEPCARJNNDHPR-UHFFFAOYSA-N 1 2 266.341 1.917 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC001043419919 819477461 /nfs/dbraw/zinc/47/74/61/819477461.db2.gz MQJDLDXZKCMBBK-LSDHHAIUSA-N 1 2 278.396 1.663 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(NC(C)=O)cc2)C1 ZINC001031298458 819502239 /nfs/dbraw/zinc/50/22/39/819502239.db2.gz GZLBTGHYSVHKHV-UHFFFAOYSA-N 1 2 285.347 1.082 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001050872158 819576626 /nfs/dbraw/zinc/57/66/26/819576626.db2.gz LMNQFKXVEIKOMH-CQSZACIVSA-N 1 2 292.379 1.903 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001050872158 819576658 /nfs/dbraw/zinc/57/66/58/819576658.db2.gz LMNQFKXVEIKOMH-CQSZACIVSA-N 1 2 292.379 1.903 20 30 CDEDLO C#CCCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000840268348 819707982 /nfs/dbraw/zinc/70/79/82/819707982.db2.gz LCRXMXJNKWKSJP-CHWSQXEVSA-N 1 2 274.368 1.509 20 30 CDEDLO C#CCCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000840268348 819707991 /nfs/dbraw/zinc/70/79/91/819707991.db2.gz LCRXMXJNKWKSJP-CHWSQXEVSA-N 1 2 274.368 1.509 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2=COCCO2)C1 ZINC001032875546 819717343 /nfs/dbraw/zinc/71/73/43/819717343.db2.gz FZJVEHJNVZHXRM-LLVKDONJSA-N 1 2 286.759 1.160 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2=COCCO2)C1 ZINC001032875546 819717362 /nfs/dbraw/zinc/71/73/62/819717362.db2.gz FZJVEHJNVZHXRM-LLVKDONJSA-N 1 2 286.759 1.160 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2[nH]cnc2CC)C1 ZINC001016132178 819740422 /nfs/dbraw/zinc/74/04/22/819740422.db2.gz DIZKXLNZYMIRQG-SNVBAGLBSA-N 1 2 282.775 1.529 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]cnc2CC)C1 ZINC001016132178 819740450 /nfs/dbraw/zinc/74/04/50/819740450.db2.gz DIZKXLNZYMIRQG-SNVBAGLBSA-N 1 2 282.775 1.529 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001050903127 819768397 /nfs/dbraw/zinc/76/83/97/819768397.db2.gz LYPSKDRJCZUCTR-WOPDTQHZSA-N 1 2 288.338 1.281 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001050903127 819768417 /nfs/dbraw/zinc/76/84/17/819768417.db2.gz LYPSKDRJCZUCTR-WOPDTQHZSA-N 1 2 288.338 1.281 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(=C)Cl ZINC001028142879 819785727 /nfs/dbraw/zinc/78/57/27/819785727.db2.gz SFOMZMFFSHMUNO-MJBXVCDLSA-N 1 2 298.814 1.911 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(=C)Cl ZINC001028142879 819785766 /nfs/dbraw/zinc/78/57/66/819785766.db2.gz SFOMZMFFSHMUNO-MJBXVCDLSA-N 1 2 298.814 1.911 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2coc(C)n2)C1 ZINC001033025280 819803515 /nfs/dbraw/zinc/80/35/15/819803515.db2.gz HGDQQLJOORGKII-NSHDSACASA-N 1 2 283.759 1.882 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2coc(C)n2)C1 ZINC001033025280 819803519 /nfs/dbraw/zinc/80/35/19/819803519.db2.gz HGDQQLJOORGKII-NSHDSACASA-N 1 2 283.759 1.882 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001042680108 819812983 /nfs/dbraw/zinc/81/29/83/819812983.db2.gz HXHQPWRWUJOTJP-QWRGUYRKSA-N 1 2 258.312 1.606 20 30 CDEDLO CN(C(=O)C(F)F)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001032858262 819828646 /nfs/dbraw/zinc/82/86/46/819828646.db2.gz ZSMLRAAALCQFRA-AWEZNQCLSA-N 1 2 292.329 1.836 20 30 CDEDLO CN(C(=O)C(F)F)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001032858262 819828647 /nfs/dbraw/zinc/82/86/47/819828647.db2.gz ZSMLRAAALCQFRA-AWEZNQCLSA-N 1 2 292.329 1.836 20 30 CDEDLO CC(C)[C@@H](C)NC(=O)CO[NH+]=C(N)c1ccccc1 ZINC000072807320 819846001 /nfs/dbraw/zinc/84/60/01/819846001.db2.gz UJUWNLDTPJLOAT-LLVKDONJSA-N 1 2 263.341 1.484 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cnns3)cc2C1 ZINC001054256978 819851275 /nfs/dbraw/zinc/85/12/75/819851275.db2.gz 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/nfs/dbraw/zinc/89/59/65/819895965.db2.gz RJHNAOUICDGEAX-IRXDYDNUSA-N 1 2 295.386 1.589 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnoc1-c1ccco1 ZINC001032482135 820009953 /nfs/dbraw/zinc/00/99/53/820009953.db2.gz AOIJLTKHYUSNIT-RYUDHWBXSA-N 1 2 297.314 1.467 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnoc1-c1ccco1 ZINC001032482135 820009965 /nfs/dbraw/zinc/00/99/65/820009965.db2.gz AOIJLTKHYUSNIT-RYUDHWBXSA-N 1 2 297.314 1.467 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001015795974 820010619 /nfs/dbraw/zinc/01/06/19/820010619.db2.gz UGJWHECJAFBCHW-NSHDSACASA-N 1 2 261.325 1.235 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001015795974 820010633 /nfs/dbraw/zinc/01/06/33/820010633.db2.gz UGJWHECJAFBCHW-NSHDSACASA-N 1 2 261.325 1.235 20 30 CDEDLO Oc1ccc(Cl)cc1/C=N/CC[NH+]1CCOCC1 ZINC000028709149 820032222 /nfs/dbraw/zinc/03/22/22/820032222.db2.gz JJPIOHMPYLDJSX-XNTDXEJSSA-N 1 2 268.744 1.797 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC001030313703 820062538 /nfs/dbraw/zinc/06/25/38/820062538.db2.gz DLAOQBDNUQPURD-GFCCVEGCSA-N 1 2 274.368 1.206 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1oc(C)nc1C ZINC001038131868 820152935 /nfs/dbraw/zinc/15/29/35/820152935.db2.gz VKNBLTQRKXMQDN-LBPRGKRZSA-N 1 2 261.325 1.119 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1oc(C)nc1C ZINC001038131868 820152969 /nfs/dbraw/zinc/15/29/69/820152969.db2.gz VKNBLTQRKXMQDN-LBPRGKRZSA-N 1 2 261.325 1.119 20 30 CDEDLO C#C[C@H](CCC)NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000820666680 820257742 /nfs/dbraw/zinc/25/77/42/820257742.db2.gz LZWRZYCRZMSJCH-CYBMUJFWSA-N 1 2 281.400 1.198 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](CC)O1 ZINC001017597877 820308029 /nfs/dbraw/zinc/30/80/29/820308029.db2.gz YOFSGBLYHXHOMZ-XUWVNRHRSA-N 1 2 290.407 1.643 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](CC)O1 ZINC001017597877 820308039 /nfs/dbraw/zinc/30/80/39/820308039.db2.gz YOFSGBLYHXHOMZ-XUWVNRHRSA-N 1 2 290.407 1.643 20 30 CDEDLO C=CC[N@H+](C[C@@H]1CC[C@@H](C2CC2)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000886064764 820361798 /nfs/dbraw/zinc/36/17/98/820361798.db2.gz IBWDNGSIROBJIZ-ILXRZTDVSA-N 1 2 299.436 1.619 20 30 CDEDLO C=CC[N@@H+](C[C@@H]1CC[C@@H](C2CC2)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000886064764 820361819 /nfs/dbraw/zinc/36/18/19/820361819.db2.gz IBWDNGSIROBJIZ-ILXRZTDVSA-N 1 2 299.436 1.619 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CF)CC1 ZINC001032619851 820463145 /nfs/dbraw/zinc/46/31/45/820463145.db2.gz ITXLVULPVVDLIT-RYUDHWBXSA-N 1 2 250.317 1.045 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CF)CC1 ZINC001032619851 820463187 /nfs/dbraw/zinc/46/31/87/820463187.db2.gz ITXLVULPVVDLIT-RYUDHWBXSA-N 1 2 250.317 1.045 20 30 CDEDLO C#CCCCS(=O)(=O)N1c2cc[nH+]cc2C[C@@H]1C ZINC000857899904 820572868 /nfs/dbraw/zinc/57/28/68/820572868.db2.gz SECNSOOPBGFGPB-NSHDSACASA-N 1 2 264.350 1.576 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccc[nH]1)CO2 ZINC001054014082 820727638 /nfs/dbraw/zinc/72/76/38/820727638.db2.gz HTQRUCBFMIQWOH-AWEZNQCLSA-N 1 2 289.379 1.093 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cncc(Cl)c1C ZINC001038365424 820819414 /nfs/dbraw/zinc/81/94/14/820819414.db2.gz CUCBKCKWOGYUTK-LLVKDONJSA-N 1 2 277.755 1.481 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncc(Cl)c1C ZINC001038365424 820819415 /nfs/dbraw/zinc/81/94/15/820819415.db2.gz CUCBKCKWOGYUTK-LLVKDONJSA-N 1 2 277.755 1.481 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001032580863 820820641 /nfs/dbraw/zinc/82/06/41/820820641.db2.gz BZCOPVGNVNRJFS-QRTUWBSPSA-N 1 2 258.365 1.341 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001032580863 820820642 /nfs/dbraw/zinc/82/06/42/820820642.db2.gz BZCOPVGNVNRJFS-QRTUWBSPSA-N 1 2 258.365 1.341 20 30 CDEDLO C#CC[C@@H]1CC[N@@H+](Cc2nnc(OCC)s2)C1 ZINC000886356142 820868644 /nfs/dbraw/zinc/86/86/44/820868644.db2.gz UOYILVILELECCL-SNVBAGLBSA-N 1 2 251.355 1.782 20 30 CDEDLO C#CC[C@@H]1CC[N@H+](Cc2nnc(OCC)s2)C1 ZINC000886356142 820868647 /nfs/dbraw/zinc/86/86/47/820868647.db2.gz UOYILVILELECCL-SNVBAGLBSA-N 1 2 251.355 1.782 20 30 CDEDLO COC(=O)/C=C/c1ccc(C[NH+]2CCN(CC#N)CC2)o1 ZINC000848885762 820876244 /nfs/dbraw/zinc/87/62/44/820876244.db2.gz RHHUZXWHOYNOSJ-SNAWJCMRSA-N 1 2 289.335 1.107 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(C)C)cn1 ZINC001038686734 820878238 /nfs/dbraw/zinc/87/82/38/820878238.db2.gz AKIPBUWBAQUQME-CQSZACIVSA-N 1 2 271.364 1.642 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(C)C)cn1 ZINC001038686734 820878239 /nfs/dbraw/zinc/87/82/39/820878239.db2.gz AKIPBUWBAQUQME-CQSZACIVSA-N 1 2 271.364 1.642 20 30 CDEDLO NC(Cc1cccnc1)=[NH+]OCc1cccc2c1OCCO2 ZINC000092917083 820880503 /nfs/dbraw/zinc/88/05/03/820880503.db2.gz XCTHBZHNLGTCBV-UHFFFAOYSA-N 1 2 299.330 1.884 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)c1C ZINC001027760001 820893912 /nfs/dbraw/zinc/89/39/12/820893912.db2.gz PJNSJSVQGGVHGZ-GFCCVEGCSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)c1C ZINC001027760001 820893921 /nfs/dbraw/zinc/89/39/21/820893921.db2.gz PJNSJSVQGGVHGZ-GFCCVEGCSA-N 1 2 296.802 1.675 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CCN(CCO)CC2)cc1 ZINC000305195885 820973238 /nfs/dbraw/zinc/97/32/38/820973238.db2.gz LHYSIXDTRCOIRA-CQSZACIVSA-N 1 2 289.379 1.087 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)on1 ZINC001032738102 820974284 /nfs/dbraw/zinc/97/42/84/820974284.db2.gz QJNIBBBEGYLRFN-RYUDHWBXSA-N 1 2 273.336 1.159 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)on1 ZINC001032738102 820974325 /nfs/dbraw/zinc/97/43/25/820974325.db2.gz QJNIBBBEGYLRFN-RYUDHWBXSA-N 1 2 273.336 1.159 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@H](CC)C1 ZINC000884144181 821002113 /nfs/dbraw/zinc/00/21/13/821002113.db2.gz DDDXRPDQRRKGRT-XQQFMLRXSA-N 1 2 282.384 1.518 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)c1cc2ccccc2n1CC#N ZINC000811589105 821008023 /nfs/dbraw/zinc/00/80/23/821008023.db2.gz JTUTZVAWRJIQCY-UHFFFAOYSA-N 1 2 293.330 1.828 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1csc(C)c1 ZINC001038819543 821010217 /nfs/dbraw/zinc/01/02/17/821010217.db2.gz XAXIXGPCQDOJHU-ZDUSSCGKSA-N 1 2 262.378 1.884 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1csc(C)c1 ZINC001038819543 821010227 /nfs/dbraw/zinc/01/02/27/821010227.db2.gz XAXIXGPCQDOJHU-ZDUSSCGKSA-N 1 2 262.378 1.884 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2cc(C)cn2)C1 ZINC001010333380 821018815 /nfs/dbraw/zinc/01/88/15/821018815.db2.gz FYZLCZMGWWPDCZ-LBPRGKRZSA-N 1 2 282.775 1.135 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2cc(C)cn2)C1 ZINC001010333380 821018826 /nfs/dbraw/zinc/01/88/26/821018826.db2.gz FYZLCZMGWWPDCZ-LBPRGKRZSA-N 1 2 282.775 1.135 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cncc2sccc21 ZINC001038634951 821040215 /nfs/dbraw/zinc/04/02/15/821040215.db2.gz NJIODEDSXHZWIF-NSHDSACASA-N 1 2 285.372 1.734 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cncc2sccc21 ZINC001038634951 821040220 /nfs/dbraw/zinc/04/02/20/821040220.db2.gz NJIODEDSXHZWIF-NSHDSACASA-N 1 2 285.372 1.734 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1cccnc1 ZINC001032739784 821064611 /nfs/dbraw/zinc/06/46/11/821064611.db2.gz XBFRQORXLPKYLF-SNPRPXQTSA-N 1 2 269.348 1.103 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1cccnc1 ZINC001032739784 821064622 /nfs/dbraw/zinc/06/46/22/821064622.db2.gz XBFRQORXLPKYLF-SNPRPXQTSA-N 1 2 269.348 1.103 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(OC)ccc2OC)C1 ZINC001031371043 821072375 /nfs/dbraw/zinc/07/23/75/821072375.db2.gz KXWCQKYJPWAWEH-UHFFFAOYSA-N 1 2 290.363 1.694 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)n2cncn2)C1 ZINC001007155646 821078597 /nfs/dbraw/zinc/07/85/97/821078597.db2.gz KHFSRWXWZCWVPR-RYUDHWBXSA-N 1 2 297.790 1.172 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)n2cncn2)C1 ZINC001007155646 821078599 /nfs/dbraw/zinc/07/85/99/821078599.db2.gz KHFSRWXWZCWVPR-RYUDHWBXSA-N 1 2 297.790 1.172 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C#CC(C)(C)C ZINC000874710155 821180697 /nfs/dbraw/zinc/18/06/97/821180697.db2.gz FYKZNKXMEBAYKJ-ZDUSSCGKSA-N 1 2 266.385 1.263 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)C#CC(C)(C)C ZINC000874710155 821180748 /nfs/dbraw/zinc/18/07/48/821180748.db2.gz FYKZNKXMEBAYKJ-ZDUSSCGKSA-N 1 2 266.385 1.263 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1occc1Cl ZINC001038670363 821242674 /nfs/dbraw/zinc/24/26/74/821242674.db2.gz JSESKNNBOJXZTH-SNVBAGLBSA-N 1 2 266.728 1.760 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1occc1Cl ZINC001038670363 821242692 /nfs/dbraw/zinc/24/26/92/821242692.db2.gz JSESKNNBOJXZTH-SNVBAGLBSA-N 1 2 266.728 1.760 20 30 CDEDLO CC(C)(C)C#CC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000837684957 821290794 /nfs/dbraw/zinc/29/07/94/821290794.db2.gz POTHUXZPOMQSKW-BETUJISGSA-N 1 2 264.369 1.015 20 30 CDEDLO CC(C)(C)C#CC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000837684957 821290814 /nfs/dbraw/zinc/29/08/14/821290814.db2.gz POTHUXZPOMQSKW-BETUJISGSA-N 1 2 264.369 1.015 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](CC)C1CCCCC1 ZINC000884116993 821318163 /nfs/dbraw/zinc/31/81/63/821318163.db2.gz LSNBUJVKDZLCIN-UONOGXRCSA-N 1 2 296.411 1.908 20 30 CDEDLO C=CC[N@@H+](CCc1ccco1)CN1C[C@@H](OC)CC1=O ZINC000787230492 821335213 /nfs/dbraw/zinc/33/52/13/821335213.db2.gz VLUAYZQDRQCISV-AWEZNQCLSA-N 1 2 278.352 1.515 20 30 CDEDLO C=CC[N@H+](CCc1ccco1)CN1C[C@@H](OC)CC1=O ZINC000787230492 821335221 /nfs/dbraw/zinc/33/52/21/821335221.db2.gz VLUAYZQDRQCISV-AWEZNQCLSA-N 1 2 278.352 1.515 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1[nH]nc2ccccc21 ZINC001038980486 821337217 /nfs/dbraw/zinc/33/72/17/821337217.db2.gz XULCYQVBTVHSKC-LLVKDONJSA-N 1 2 268.320 1.000 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1[nH]nc2ccccc21 ZINC001038980486 821337231 /nfs/dbraw/zinc/33/72/31/821337231.db2.gz XULCYQVBTVHSKC-LLVKDONJSA-N 1 2 268.320 1.000 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC=CCC3)C2)C1 ZINC000972256690 821427935 /nfs/dbraw/zinc/42/79/35/821427935.db2.gz OVUXYOBPGVJKRZ-RDJZCZTQSA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC=CCC3)C2)C1 ZINC000972256690 821427970 /nfs/dbraw/zinc/42/79/70/821427970.db2.gz OVUXYOBPGVJKRZ-RDJZCZTQSA-N 1 2 288.391 1.279 20 30 CDEDLO C=CCONC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000838703674 821503552 /nfs/dbraw/zinc/50/35/52/821503552.db2.gz NQQLNZPYQSVQIO-UHFFFAOYSA-N 1 2 261.325 1.419 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cnn(C)n2)C1 ZINC001033983812 821538062 /nfs/dbraw/zinc/53/80/62/821538062.db2.gz YSLSBMVQRQCDFY-NSHDSACASA-N 1 2 297.790 1.104 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cnn(C)n2)C1 ZINC001033983812 821538108 /nfs/dbraw/zinc/53/81/08/821538108.db2.gz YSLSBMVQRQCDFY-NSHDSACASA-N 1 2 297.790 1.104 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000781977546 821550715 /nfs/dbraw/zinc/55/07/15/821550715.db2.gz KJVGMROBKCHBGE-PWSUYJOCSA-N 1 2 292.301 1.168 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000781977546 821550755 /nfs/dbraw/zinc/55/07/55/821550755.db2.gz KJVGMROBKCHBGE-PWSUYJOCSA-N 1 2 292.301 1.168 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc[nH]c2C)C1 ZINC001010488497 821562427 /nfs/dbraw/zinc/56/24/27/821562427.db2.gz IQHVQFNDGXXXSN-LLVKDONJSA-N 1 2 267.760 1.880 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c2C)C1 ZINC001010488497 821562432 /nfs/dbraw/zinc/56/24/32/821562432.db2.gz IQHVQFNDGXXXSN-LLVKDONJSA-N 1 2 267.760 1.880 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)C(C#N)(CC)CC ZINC000928636992 821579303 /nfs/dbraw/zinc/57/93/03/821579303.db2.gz YKHUIXZNDYEWOO-CYBMUJFWSA-N 1 2 281.400 1.543 20 30 CDEDLO C#CC[N@@H+](Cc1nc(-c2ccc(OC)nn2)no1)C(C)C ZINC000932388104 821592056 /nfs/dbraw/zinc/59/20/56/821592056.db2.gz UZPBSIFAJWWNBO-UHFFFAOYSA-N 1 2 287.323 1.379 20 30 CDEDLO C#CC[N@H+](Cc1nc(-c2ccc(OC)nn2)no1)C(C)C ZINC000932388104 821592077 /nfs/dbraw/zinc/59/20/77/821592077.db2.gz UZPBSIFAJWWNBO-UHFFFAOYSA-N 1 2 287.323 1.379 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc(C)c1 ZINC001038837091 821603296 /nfs/dbraw/zinc/60/32/96/821603296.db2.gz KTXJIWWRGPMESE-AWEZNQCLSA-N 1 2 257.337 1.217 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc(C)c1 ZINC001038837091 821603322 /nfs/dbraw/zinc/60/33/22/821603322.db2.gz KTXJIWWRGPMESE-AWEZNQCLSA-N 1 2 257.337 1.217 20 30 CDEDLO CC#CCC[N@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879762813 821818994 /nfs/dbraw/zinc/81/89/94/821818994.db2.gz FWUUKTWBTRRRLW-LLVKDONJSA-N 1 2 262.275 1.543 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2csc(=O)[nH]2)C1 ZINC001015567300 821851854 /nfs/dbraw/zinc/85/18/54/821851854.db2.gz BBINLAGFZATKCY-QMMMGPOBSA-N 1 2 287.772 1.405 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2csc(=O)[nH]2)C1 ZINC001015567300 821851855 /nfs/dbraw/zinc/85/18/55/821851855.db2.gz BBINLAGFZATKCY-QMMMGPOBSA-N 1 2 287.772 1.405 20 30 CDEDLO Cc1nc(N[C@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)cc[nH+]1 ZINC001059604612 821864812 /nfs/dbraw/zinc/86/48/12/821864812.db2.gz MWISUEWMGPPBFW-TXEJJXNPSA-N 1 2 296.334 1.358 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)cc1 ZINC001038562576 821866683 /nfs/dbraw/zinc/86/66/83/821866683.db2.gz PWCIREIFCXTVAQ-MRXNPFEDSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)cc1 ZINC001038562576 821866684 /nfs/dbraw/zinc/86/66/84/821866684.db2.gz PWCIREIFCXTVAQ-MRXNPFEDSA-N 1 2 294.358 1.310 20 30 CDEDLO C=C(C[NH+](C)C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000803404259 821873069 /nfs/dbraw/zinc/87/30/69/821873069.db2.gz KTPAOPXTXNMZRR-UHFFFAOYSA-N 1 2 287.323 1.234 20 30 CDEDLO C=C(Br)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160751482 821880507 /nfs/dbraw/zinc/88/05/07/821880507.db2.gz AXFKBDHBGDVRRD-VIFPVBQESA-N 1 2 284.157 1.470 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@]1(C)C=CCC1)CO2 ZINC001053895337 821885845 /nfs/dbraw/zinc/88/58/45/821885845.db2.gz DSLMBQQJSHEXSH-GOEBONIOSA-N 1 2 290.407 1.878 20 30 CDEDLO CC(C)C#CC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000834559831 821890160 /nfs/dbraw/zinc/89/01/60/821890160.db2.gz SAYSCNNRASDDRK-CYBMUJFWSA-N 1 2 259.353 1.786 20 30 CDEDLO C#CCCCCCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000780588168 821898967 /nfs/dbraw/zinc/89/89/67/821898967.db2.gz FDRLGDNPBJTYLU-MRXNPFEDSA-N 1 2 292.423 1.893 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)CCCC(=O)C(C)(C)C)CC1 ZINC000822935370 822047671 /nfs/dbraw/zinc/04/76/71/822047671.db2.gz RIHHPDVLDMSBHS-UHFFFAOYSA-N 1 2 292.423 1.939 20 30 CDEDLO C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)CCc2cnn[nH]2)C1 ZINC001000233512 822071357 /nfs/dbraw/zinc/07/13/57/822071357.db2.gz UUWQOBCIACZSQW-GFCCVEGCSA-N 1 2 297.790 1.070 20 30 CDEDLO C=CC[C@@H](NC(=O)Cc1c[nH+]cn1C)c1ccncc1 ZINC000806865349 822141582 /nfs/dbraw/zinc/14/15/82/822141582.db2.gz XEEKAHPIAYGDRE-CQSZACIVSA-N 1 2 270.336 1.791 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccc3c2O[C@H](C)C3)C1 ZINC001043381944 822145897 /nfs/dbraw/zinc/14/58/97/822145897.db2.gz YVWIYVJNLMKOEV-CYBMUJFWSA-N 1 2 298.386 1.790 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001031013503 822180952 /nfs/dbraw/zinc/18/09/52/822180952.db2.gz HIGCCZHCKYSRRS-UHFFFAOYSA-N 1 2 267.332 1.605 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@@H](C)OC)C2)cc1 ZINC001030776772 822211908 /nfs/dbraw/zinc/21/19/08/822211908.db2.gz YKUDHTXQWAQHPJ-GFCCVEGCSA-N 1 2 272.348 1.117 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3[nH]ccc3n2)C1 ZINC001043328235 822216716 /nfs/dbraw/zinc/21/67/16/822216716.db2.gz IMHSFJJQTUDZHM-UHFFFAOYSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1C=CCCC1 ZINC001032471191 822307673 /nfs/dbraw/zinc/30/76/73/822307673.db2.gz OMNNOIDWRRRPKA-ILXRZTDVSA-N 1 2 258.365 1.651 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1C=CCCC1 ZINC001032471191 822307688 /nfs/dbraw/zinc/30/76/88/822307688.db2.gz OMNNOIDWRRRPKA-ILXRZTDVSA-N 1 2 258.365 1.651 20 30 CDEDLO C#CC[N@H+]1CC[C@@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001041304446 822323602 /nfs/dbraw/zinc/32/36/02/822323602.db2.gz NDGPLLZBWULJCY-ZYHUDNBSSA-N 1 2 292.276 1.444 20 30 CDEDLO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001041304446 822323613 /nfs/dbraw/zinc/32/36/13/822323613.db2.gz NDGPLLZBWULJCY-ZYHUDNBSSA-N 1 2 292.276 1.444 20 30 CDEDLO C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001041304446 822323625 /nfs/dbraw/zinc/32/36/25/822323625.db2.gz NDGPLLZBWULJCY-ZYHUDNBSSA-N 1 2 292.276 1.444 20 30 CDEDLO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001041304446 822323643 /nfs/dbraw/zinc/32/36/43/822323643.db2.gz NDGPLLZBWULJCY-ZYHUDNBSSA-N 1 2 292.276 1.444 20 30 CDEDLO CN(C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F)C1(C#N)CCCCC1 ZINC000844455472 822369347 /nfs/dbraw/zinc/36/93/47/822369347.db2.gz UTQGGOFPJZOWAU-TXEJJXNPSA-N 1 2 297.349 1.868 20 30 CDEDLO CN(C(=O)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F)C1(C#N)CCCCC1 ZINC000844455472 822369350 /nfs/dbraw/zinc/36/93/50/822369350.db2.gz UTQGGOFPJZOWAU-TXEJJXNPSA-N 1 2 297.349 1.868 20 30 CDEDLO C#CCCOc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000823233437 822372883 /nfs/dbraw/zinc/37/28/83/822372883.db2.gz OSSJGCPHNGJPOZ-UHFFFAOYSA-N 1 2 283.331 1.784 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](CO)Cc2ccccc21 ZINC000816784301 822383139 /nfs/dbraw/zinc/38/31/39/822383139.db2.gz LCBVHOOKGYRBSZ-PBHICJAKSA-N 1 2 298.386 1.282 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](CO)Cc2ccccc21 ZINC000816784301 822383147 /nfs/dbraw/zinc/38/31/47/822383147.db2.gz LCBVHOOKGYRBSZ-PBHICJAKSA-N 1 2 298.386 1.282 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000785753853 822397797 /nfs/dbraw/zinc/39/77/97/822397797.db2.gz MLKKICCFAHSKII-JSGCOSHPSA-N 1 2 255.358 1.853 20 30 CDEDLO C=CCC[NH+]1CC(N(C)C(=O)c2cc(OC)ns2)C1 ZINC001042742990 822446417 /nfs/dbraw/zinc/44/64/17/822446417.db2.gz BIKOHUXBWRXZAV-UHFFFAOYSA-N 1 2 281.381 1.484 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cnnn2C)C1 ZINC001034194667 822469832 /nfs/dbraw/zinc/46/98/32/822469832.db2.gz POEKHGRORLAFKR-LLVKDONJSA-N 1 2 297.790 1.152 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnnn2C)C1 ZINC001034194667 822469839 /nfs/dbraw/zinc/46/98/39/822469839.db2.gz POEKHGRORLAFKR-LLVKDONJSA-N 1 2 297.790 1.152 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2c1O[C@@H](C)C2 ZINC001038542165 822477054 /nfs/dbraw/zinc/47/70/54/822477054.db2.gz LOQLZLPDPFSKCK-GXTWGEPZSA-N 1 2 284.359 1.447 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2c1O[C@@H](C)C2 ZINC001038542165 822477062 /nfs/dbraw/zinc/47/70/62/822477062.db2.gz LOQLZLPDPFSKCK-GXTWGEPZSA-N 1 2 284.359 1.447 20 30 CDEDLO C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC001033437493 822488341 /nfs/dbraw/zinc/48/83/41/822488341.db2.gz WUJPYIWUFMUTQQ-GFCCVEGCSA-N 1 2 276.384 1.865 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC001033437493 822488348 /nfs/dbraw/zinc/48/83/48/822488348.db2.gz WUJPYIWUFMUTQQ-GFCCVEGCSA-N 1 2 276.384 1.865 20 30 CDEDLO Cc1nc(C#N)cc(NCC(C)(C)[NH+]2CCOCC2)n1 ZINC000881753052 822534937 /nfs/dbraw/zinc/53/49/37/822534937.db2.gz GUZNUXYEDAYLJT-UHFFFAOYSA-N 1 2 275.356 1.179 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cscn1 ZINC000960505046 822570919 /nfs/dbraw/zinc/57/09/19/822570919.db2.gz YODUHLKTDUWHKX-DGCLKSJQSA-N 1 2 292.408 1.726 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cscn1 ZINC000960505046 822570926 /nfs/dbraw/zinc/57/09/26/822570926.db2.gz YODUHLKTDUWHKX-DGCLKSJQSA-N 1 2 292.408 1.726 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001051032494 822604282 /nfs/dbraw/zinc/60/42/82/822604282.db2.gz XOPFXXDFWYANNF-GFCCVEGCSA-N 1 2 281.331 1.161 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001051032494 822604288 /nfs/dbraw/zinc/60/42/88/822604288.db2.gz XOPFXXDFWYANNF-GFCCVEGCSA-N 1 2 281.331 1.161 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1CC(C)(C)C1)CO2 ZINC001053791925 822610922 /nfs/dbraw/zinc/61/09/22/822610922.db2.gz RPBIJDJTPDMDIL-AWEZNQCLSA-N 1 2 292.423 1.958 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1OCC ZINC001032819965 822626595 /nfs/dbraw/zinc/62/65/95/822626595.db2.gz HLTMEVFZGYJEHF-STQMWFEESA-N 1 2 285.347 1.012 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1OCC ZINC001032819965 822626614 /nfs/dbraw/zinc/62/66/14/822626614.db2.gz HLTMEVFZGYJEHF-STQMWFEESA-N 1 2 285.347 1.012 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC23CCOCC3)C1 ZINC001032230881 822629269 /nfs/dbraw/zinc/62/92/69/822629269.db2.gz WAYKZYXEQVGMFU-CYBMUJFWSA-N 1 2 298.814 1.604 20 30 CDEDLO CN1CCC2(C[NH+](Cc3cccc(C#N)c3Cl)C2)C1=O ZINC001140815065 1167056973 /nfs/dbraw/zinc/05/69/73/1167056973.db2.gz BBFMDOTYKJRKSG-UHFFFAOYSA-N 1 2 289.766 1.876 20 30 CDEDLO N#Cc1cccc([C@@H](O)C[N@@H+]2CCc3c[nH]nc3C2)c1 ZINC001644999748 1167358217 /nfs/dbraw/zinc/35/82/17/1167358217.db2.gz VFSUUDUPAJTDBG-HNNXBMFYSA-N 1 2 268.320 1.373 20 30 CDEDLO N#Cc1cccc([C@@H](O)C[N@H+]2CCc3c[nH]nc3C2)c1 ZINC001644999748 1167358222 /nfs/dbraw/zinc/35/82/22/1167358222.db2.gz VFSUUDUPAJTDBG-HNNXBMFYSA-N 1 2 268.320 1.373 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccc(OC)c(F)c2)C1 ZINC001030632112 912236758 /nfs/dbraw/zinc/23/67/58/912236758.db2.gz NFCGGKIAAWGPAG-UHFFFAOYSA-N 1 2 292.354 1.753 20 30 CDEDLO C=CCCOCC(=O)N[C@H](C)CCNc1cc[nH+]c(C)n1 ZINC001106367290 913885929 /nfs/dbraw/zinc/88/59/29/913885929.db2.gz BBHVIWPGHTWYOF-GFCCVEGCSA-N 1 2 292.383 1.684 20 30 CDEDLO O=C1C=C2C[N@@H+](Cc3ccncc3O)CC[C@@H]2S1 ZINC001140275370 895606535 /nfs/dbraw/zinc/60/65/35/895606535.db2.gz WNFNNHDSDLMSLK-LBPRGKRZSA-N 1 2 262.334 1.561 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)OC ZINC001039337788 895753146 /nfs/dbraw/zinc/75/31/46/895753146.db2.gz KMPDCQHZLCVWAM-XQQFMLRXSA-N 1 2 286.803 1.839 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)OC ZINC001039337788 895753161 /nfs/dbraw/zinc/75/31/61/895753161.db2.gz KMPDCQHZLCVWAM-XQQFMLRXSA-N 1 2 286.803 1.839 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3csc(C)c3)[C@H]2C1 ZINC001083224099 896216734 /nfs/dbraw/zinc/21/67/34/896216734.db2.gz GPAUUCKQRSQJGC-UONOGXRCSA-N 1 2 290.388 1.215 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3csc(C)c3)[C@H]2C1 ZINC001083224099 896216747 /nfs/dbraw/zinc/21/67/47/896216747.db2.gz GPAUUCKQRSQJGC-UONOGXRCSA-N 1 2 290.388 1.215 20 30 CDEDLO COc1cc(C#N)cnc1NCc1cc[nH+]c(N)c1 ZINC001167613347 897031721 /nfs/dbraw/zinc/03/17/21/897031721.db2.gz JSQQBOQCPISBAX-UHFFFAOYSA-N 1 2 255.281 1.551 20 30 CDEDLO N#Cc1cc(Cl)nc(NCc2cc[nH+]c(N)c2)n1 ZINC001167612825 897035101 /nfs/dbraw/zinc/03/51/01/897035101.db2.gz FUUXPCWVXRMRAU-UHFFFAOYSA-N 1 2 260.688 1.591 20 30 CDEDLO COC(=O)[C@H](CS)Nc1cc(C)cn2cc[nH+]c12 ZINC001167622416 897071890 /nfs/dbraw/zinc/07/18/90/897071890.db2.gz VYOMFOHKCXLSNF-JTQLQIEISA-N 1 2 265.338 1.526 20 30 CDEDLO C=CCCOCC(=O)NCC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001099249360 914203116 /nfs/dbraw/zinc/20/31/16/914203116.db2.gz XEWUEYAPPWGJMQ-LBPRGKRZSA-N 1 2 292.383 1.684 20 30 CDEDLO Cc1cc(C)c(CNS(=O)(=O)c2ccc(C#N)o2)c[nH+]1 ZINC001365714593 914300127 /nfs/dbraw/zinc/30/01/27/914300127.db2.gz PHMIHWQBMJIGKZ-UHFFFAOYSA-N 1 2 291.332 1.642 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c[nH]c3cccnc23)C1 ZINC001031261874 914310424 /nfs/dbraw/zinc/31/04/24/914310424.db2.gz GERFSPURVCIPMI-UHFFFAOYSA-N 1 2 270.336 1.553 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)C(C)(C)COC)C1CC1 ZINC001481178190 899063688 /nfs/dbraw/zinc/06/36/88/899063688.db2.gz ROSWQKDRCLSLSW-UHFFFAOYSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)C(C)(C)COC)C1CC1 ZINC001481178190 899063704 /nfs/dbraw/zinc/06/37/04/899063704.db2.gz ROSWQKDRCLSLSW-UHFFFAOYSA-N 1 2 288.819 1.992 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCSC)C[C@@H]21 ZINC001176906645 914385001 /nfs/dbraw/zinc/38/50/01/914385001.db2.gz LCEOKLOIIDDVGG-KBPBESRZSA-N 1 2 296.436 1.065 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCSC)C[C@@H]21 ZINC001176906645 914385010 /nfs/dbraw/zinc/38/50/10/914385010.db2.gz LCEOKLOIIDDVGG-KBPBESRZSA-N 1 2 296.436 1.065 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C(/C)CC)C[C@@H]21 ZINC001177002327 914427031 /nfs/dbraw/zinc/42/70/31/914427031.db2.gz ZPJZBWNDLSFJCL-YNLMUAPZSA-N 1 2 290.407 1.668 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C(/C)CC)C[C@@H]21 ZINC001177002327 914427045 /nfs/dbraw/zinc/42/70/45/914427045.db2.gz ZPJZBWNDLSFJCL-YNLMUAPZSA-N 1 2 290.407 1.668 20 30 CDEDLO C#CCCCCC(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001125967059 900287893 /nfs/dbraw/zinc/28/78/93/900287893.db2.gz KCVCDHNLUVNXNW-UHFFFAOYSA-N 1 2 289.379 1.951 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC1C[NH+](Cc2cc(F)cc(F)c2)C1 ZINC001481618050 901473617 /nfs/dbraw/zinc/47/36/17/901473617.db2.gz XYMZFHSATMQHMI-JTQLQIEISA-N 1 2 293.317 1.672 20 30 CDEDLO C=CC[C@@H](C)C(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001268968615 903282639 /nfs/dbraw/zinc/28/26/39/903282639.db2.gz VBVKGSRJKYNIAQ-CYBMUJFWSA-N 1 2 273.380 1.871 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccncn2)[C@H]1CC ZINC001087766464 905832468 /nfs/dbraw/zinc/83/24/68/905832468.db2.gz AUXBCWLWDBMMSQ-WCQYABFASA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccncn2)[C@H]1CC ZINC001087766464 905832482 /nfs/dbraw/zinc/83/24/82/905832482.db2.gz AUXBCWLWDBMMSQ-WCQYABFASA-N 1 2 294.786 1.812 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029481082 906096126 /nfs/dbraw/zinc/09/61/26/906096126.db2.gz YHYZGRVBTOQVIZ-RQJABVFESA-N 1 2 282.359 1.222 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029481082 906096141 /nfs/dbraw/zinc/09/61/41/906096141.db2.gz YHYZGRVBTOQVIZ-RQJABVFESA-N 1 2 282.359 1.222 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CCC2)[C@H](O)C1 ZINC001089998131 921304178 /nfs/dbraw/zinc/30/41/78/921304178.db2.gz UQCROQIOOHQLAH-VXGBXAGGSA-N 1 2 272.776 1.090 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CCC2)[C@H](O)C1 ZINC001089998131 921304179 /nfs/dbraw/zinc/30/41/79/921304179.db2.gz UQCROQIOOHQLAH-VXGBXAGGSA-N 1 2 272.776 1.090 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cncnc2C)[C@H]1C ZINC001088477713 907404468 /nfs/dbraw/zinc/40/44/68/907404468.db2.gz OEMTXGVVBMDVCM-YPMHNXCESA-N 1 2 294.786 1.730 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cncnc2C)[C@H]1C ZINC001088477713 907404472 /nfs/dbraw/zinc/40/44/72/907404472.db2.gz OEMTXGVVBMDVCM-YPMHNXCESA-N 1 2 294.786 1.730 20 30 CDEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2[nH]nc(C)c2C)[C@H]1C ZINC001088496732 907503555 /nfs/dbraw/zinc/50/35/55/907503555.db2.gz MYLIAKYIKZLPCF-NEPJUHHUSA-N 1 2 262.357 1.405 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc(C)c2C)[C@H]1C ZINC001088496732 907503571 /nfs/dbraw/zinc/50/35/71/907503571.db2.gz MYLIAKYIKZLPCF-NEPJUHHUSA-N 1 2 262.357 1.405 20 30 CDEDLO C[C@@H]1C[C@@H](NCC#N)CN1C(=O)c1cccc2[nH+]ccn21 ZINC000989187332 908711804 /nfs/dbraw/zinc/71/18/04/908711804.db2.gz ZUUWMUIMDIDNSK-VXGBXAGGSA-N 1 2 283.335 1.050 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2snnc2C)C1 ZINC001032897224 921475193 /nfs/dbraw/zinc/47/51/93/921475193.db2.gz NKHDYYQQPSBMHF-NSHDSACASA-N 1 2 278.381 1.016 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2snnc2C)C1 ZINC001032897224 921475202 /nfs/dbraw/zinc/47/52/02/921475202.db2.gz NKHDYYQQPSBMHF-NSHDSACASA-N 1 2 278.381 1.016 20 30 CDEDLO C[C@@H]1[C@@H](NC(=O)c2cccc3[nH+]ccn32)CCN1CC#N ZINC001088742596 909245004 /nfs/dbraw/zinc/24/50/04/909245004.db2.gz AQLCDZUTIPQDIG-NEPJUHHUSA-N 1 2 283.335 1.050 20 30 CDEDLO C=CCN1C[C@]2(CC[N@H+](Cc3nccs3)C2)OCC1=O ZINC001273013451 921522291 /nfs/dbraw/zinc/52/22/91/921522291.db2.gz AMTFUBBJZLSHAJ-CQSZACIVSA-N 1 2 293.392 1.132 20 30 CDEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3nccs3)C2)OCC1=O ZINC001273013451 921522298 /nfs/dbraw/zinc/52/22/98/921522298.db2.gz AMTFUBBJZLSHAJ-CQSZACIVSA-N 1 2 293.392 1.132 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@@H]1CSc2ccccc2C1 ZINC001172196271 911481865 /nfs/dbraw/zinc/48/18/65/911481865.db2.gz NQQKWJSWUBXZCU-STQMWFEESA-N 1 2 259.378 1.501 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001030307376 911670316 /nfs/dbraw/zinc/67/03/16/911670316.db2.gz RTTNJXSEQKNMDR-CYBMUJFWSA-N 1 2 260.381 1.781 20 30 CDEDLO C[C@H](CCCC#N)[NH2+][C@@H]1Oc2ccc(CCO)cc2O1 ZINC001172490668 911727187 /nfs/dbraw/zinc/72/71/87/911727187.db2.gz JUJKSFBTKYSWFU-IAQYHMDHSA-N 1 2 276.336 1.948 20 30 CDEDLO C[C@H](C(=O)N[C@H](C#N)c1ccccc1)n1cc[nH+]c1 ZINC001177918441 915032298 /nfs/dbraw/zinc/03/22/98/915032298.db2.gz YGUFFDNBOYSHMY-DGCLKSJQSA-N 1 2 254.293 1.825 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([NH2+]Cc2nc(CC)no2)[C@@H]1C ZINC001178312304 915368569 /nfs/dbraw/zinc/36/85/69/915368569.db2.gz WNMQSNAUPBLIIS-RYUDHWBXSA-N 1 2 292.383 1.677 20 30 CDEDLO C[NH+]1CCN(C(=O)C#Cc2ccc(F)cc2F)CC1 ZINC001178564940 915520840 /nfs/dbraw/zinc/52/08/40/915520840.db2.gz BNVPWTMZNSPLLE-UHFFFAOYSA-N 1 2 264.275 1.090 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@H](OC)C1 ZINC001212303351 915837586 /nfs/dbraw/zinc/83/75/86/915837586.db2.gz AOLYHFBVUTUMIT-OPRDCNLKSA-N 1 2 298.280 1.278 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@H](OC)C1 ZINC001212303351 915837603 /nfs/dbraw/zinc/83/76/03/915837603.db2.gz AOLYHFBVUTUMIT-OPRDCNLKSA-N 1 2 298.280 1.278 20 30 CDEDLO Cc1cc(N[C@H](C)CNC(=O)[C@@H](C)C#N)nc(C2CC2)[nH+]1 ZINC001097738875 936362034 /nfs/dbraw/zinc/36/20/34/936362034.db2.gz PCJFTDJXNUWIEF-GXSJLCMTSA-N 1 2 287.367 1.739 20 30 CDEDLO Cc1cc(C#N)c(NC(=O)[C@H]2C[N@H+](C)CCO2)s1 ZINC001180755514 916608473 /nfs/dbraw/zinc/60/84/73/916608473.db2.gz JXRXRQOLVSOMGA-SNVBAGLBSA-N 1 2 265.338 1.197 20 30 CDEDLO Cc1cc(C#N)c(NC(=O)[C@H]2C[N@@H+](C)CCO2)s1 ZINC001180755514 916608477 /nfs/dbraw/zinc/60/84/77/916608477.db2.gz JXRXRQOLVSOMGA-SNVBAGLBSA-N 1 2 265.338 1.197 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1cc(C)on1 ZINC001485287265 916761223 /nfs/dbraw/zinc/76/12/23/916761223.db2.gz PDCMRXGKLAMLSC-JTQLQIEISA-N 1 2 285.775 1.715 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1cc(C)on1 ZINC001485287265 916761236 /nfs/dbraw/zinc/76/12/36/916761236.db2.gz PDCMRXGKLAMLSC-JTQLQIEISA-N 1 2 285.775 1.715 20 30 CDEDLO C#CCCCC(=O)NC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001097783443 936375160 /nfs/dbraw/zinc/37/51/60/936375160.db2.gz XZLXTUIHPIGTNI-NSHDSACASA-N 1 2 260.341 1.505 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c(C#N)c1 ZINC001137697921 936391438 /nfs/dbraw/zinc/39/14/38/936391438.db2.gz BIAJQKJBOBVJNU-ZIAGYGMSSA-N 1 2 264.300 1.472 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@@H](F)[C@H](O)C2)c(C#N)c1 ZINC001137697921 936391442 /nfs/dbraw/zinc/39/14/42/936391442.db2.gz BIAJQKJBOBVJNU-ZIAGYGMSSA-N 1 2 264.300 1.472 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001124484114 917398119 /nfs/dbraw/zinc/39/81/19/917398119.db2.gz QRQVRSICZDGTEX-CYBMUJFWSA-N 1 2 295.383 1.478 20 30 CDEDLO COC(=O)c1cc(C[NH+]2CCC(S)CC2)nn1C ZINC001237567955 917506069 /nfs/dbraw/zinc/50/60/69/917506069.db2.gz IKGYWQUFKXILCU-UHFFFAOYSA-N 1 2 269.370 1.101 20 30 CDEDLO C=CCCC(=O)NCC[NH2+]Cc1noc(-c2ccoc2)n1 ZINC001124640935 917510627 /nfs/dbraw/zinc/51/06/27/917510627.db2.gz UZVPUAGMMDYVEN-UHFFFAOYSA-N 1 2 290.323 1.502 20 30 CDEDLO C[C@H](C#N)C(=O)NCC[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC001124908321 917757679 /nfs/dbraw/zinc/75/76/79/917757679.db2.gz IHFVKJYLRJZMEI-NXEZZACHSA-N 1 2 293.371 1.294 20 30 CDEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@@H](C)CC)nn2)C1 ZINC001107162720 918235461 /nfs/dbraw/zinc/23/54/61/918235461.db2.gz QCCVTSBBHJALIY-LBPRGKRZSA-N 1 2 291.399 1.373 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CC2CC2)C1 ZINC001107682624 918613568 /nfs/dbraw/zinc/61/35/68/918613568.db2.gz XODQPPFHXMBGEM-CQSZACIVSA-N 1 2 252.358 1.180 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CC2CC2)C1 ZINC001107682624 918613585 /nfs/dbraw/zinc/61/35/85/918613585.db2.gz XODQPPFHXMBGEM-CQSZACIVSA-N 1 2 252.358 1.180 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccccc2)C1 ZINC001107700331 918638170 /nfs/dbraw/zinc/63/81/70/918638170.db2.gz KYQNOHBBEHOVMR-QGZVFWFLSA-N 1 2 286.375 1.531 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccccc2)C1 ZINC001107700331 918638180 /nfs/dbraw/zinc/63/81/80/918638180.db2.gz KYQNOHBBEHOVMR-QGZVFWFLSA-N 1 2 286.375 1.531 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCC)C1 ZINC001107747837 918724486 /nfs/dbraw/zinc/72/44/86/918724486.db2.gz HRHXFMFEHJRTES-OAHLLOKOSA-N 1 2 266.385 1.407 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCCC)C1 ZINC001107747837 918724497 /nfs/dbraw/zinc/72/44/97/918724497.db2.gz HRHXFMFEHJRTES-OAHLLOKOSA-N 1 2 266.385 1.407 20 30 CDEDLO C#Cc1ccc(CNC(=O)CCc2ccc(N)[nH+]c2)cc1 ZINC001183935924 918753359 /nfs/dbraw/zinc/75/33/59/918753359.db2.gz MIKARGXTFHWEJM-UHFFFAOYSA-N 1 2 279.343 1.894 20 30 CDEDLO C=CCCC(=O)NC[C@@]1(C)C[N@H+](CC#CC)CCO1 ZINC001107802548 918812448 /nfs/dbraw/zinc/81/24/48/918812448.db2.gz UFDPFBLBVPANQA-HNNXBMFYSA-N 1 2 264.369 1.183 20 30 CDEDLO C=CCCC(=O)NC[C@@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001107802548 918812453 /nfs/dbraw/zinc/81/24/53/918812453.db2.gz UFDPFBLBVPANQA-HNNXBMFYSA-N 1 2 264.369 1.183 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)CSC)C1 ZINC001107816822 918823249 /nfs/dbraw/zinc/82/32/49/918823249.db2.gz IJBCGKBYCCJISR-UKRRQHHQSA-N 1 2 298.452 1.216 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)CSC)C1 ZINC001107816822 918823263 /nfs/dbraw/zinc/82/32/63/918823263.db2.gz IJBCGKBYCCJISR-UKRRQHHQSA-N 1 2 298.452 1.216 20 30 CDEDLO C#CCCCCC(=O)NC[C@@]1(C)C[N@H+](CC=C)CCO1 ZINC001107883357 918981261 /nfs/dbraw/zinc/98/12/61/918981261.db2.gz RBYPRQFWVRMFGW-INIZCTEOSA-N 1 2 278.396 1.573 20 30 CDEDLO C#CCCCCC(=O)NC[C@@]1(C)C[N@@H+](CC=C)CCO1 ZINC001107883357 918981273 /nfs/dbraw/zinc/98/12/73/918981273.db2.gz RBYPRQFWVRMFGW-INIZCTEOSA-N 1 2 278.396 1.573 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2ccoc2)C1 ZINC001107892188 919006333 /nfs/dbraw/zinc/00/63/33/919006333.db2.gz UVRBWZYEGVFVKJ-INIZCTEOSA-N 1 2 290.363 1.053 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2ccoc2)C1 ZINC001107892188 919006344 /nfs/dbraw/zinc/00/63/44/919006344.db2.gz UVRBWZYEGVFVKJ-INIZCTEOSA-N 1 2 290.363 1.053 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001107912871 919038232 /nfs/dbraw/zinc/03/82/32/919038232.db2.gz OKOBVIZTCPALCN-MJVIPROJSA-N 1 2 288.338 1.281 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001107912871 919038242 /nfs/dbraw/zinc/03/82/42/919038242.db2.gz OKOBVIZTCPALCN-MJVIPROJSA-N 1 2 288.338 1.281 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2cnccc2o1 ZINC001032500454 919264257 /nfs/dbraw/zinc/26/42/57/919264257.db2.gz WEKSBLDKLHWXFH-KBPBESRZSA-N 1 2 295.342 1.750 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2cnccc2o1 ZINC001032500454 919264275 /nfs/dbraw/zinc/26/42/75/919264275.db2.gz WEKSBLDKLHWXFH-KBPBESRZSA-N 1 2 295.342 1.750 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)c1cccnc1 ZINC001032662246 919691434 /nfs/dbraw/zinc/69/14/34/919691434.db2.gz JIQJABGQYVNPMD-BPUTZDHNSA-N 1 2 283.375 1.494 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)c1cccnc1 ZINC001032662246 919691444 /nfs/dbraw/zinc/69/14/44/919691444.db2.gz JIQJABGQYVNPMD-BPUTZDHNSA-N 1 2 283.375 1.494 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2cccc(N(C)C)c2)CC1 ZINC001186067204 919853708 /nfs/dbraw/zinc/85/37/08/919853708.db2.gz YSGSNMKUKJULDZ-UHFFFAOYSA-N 1 2 287.407 1.625 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1nc(C)c[nH]1 ZINC001272908437 920018718 /nfs/dbraw/zinc/01/87/18/920018718.db2.gz WDRDLDFEIPNPPS-MRXNPFEDSA-N 1 2 286.379 1.308 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1nc(C)c[nH]1 ZINC001272908437 920018731 /nfs/dbraw/zinc/01/87/31/920018731.db2.gz WDRDLDFEIPNPPS-MRXNPFEDSA-N 1 2 286.379 1.308 20 30 CDEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ncc[nH]1)CC2 ZINC001272921453 920083065 /nfs/dbraw/zinc/08/30/65/920083065.db2.gz KIIRYJSHSQGBMW-LBPRGKRZSA-N 1 2 274.368 1.314 20 30 CDEDLO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1ncc[nH]1)CC2 ZINC001272921752 920089567 /nfs/dbraw/zinc/08/95/67/920089567.db2.gz ODCKSVASIFJMQE-CYBMUJFWSA-N 1 2 288.395 1.704 20 30 CDEDLO N#Cc1cccc2c(C[N@@H+]3CCO[C@@H](CO)C3)c[nH]c21 ZINC001139701114 936637892 /nfs/dbraw/zinc/63/78/92/936637892.db2.gz AXBRVBSAACUCGD-CYBMUJFWSA-N 1 2 271.320 1.233 20 30 CDEDLO N#Cc1cccc2c(C[N@H+]3CCO[C@@H](CO)C3)c[nH]c21 ZINC001139701114 936637893 /nfs/dbraw/zinc/63/78/93/936637893.db2.gz AXBRVBSAACUCGD-CYBMUJFWSA-N 1 2 271.320 1.233 20 30 CDEDLO COC[C@@H]1COCC[N@@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140116730 936679804 /nfs/dbraw/zinc/67/98/04/936679804.db2.gz FBFSFVSVZKVSDI-CQSZACIVSA-N 1 2 285.347 1.887 20 30 CDEDLO COC[C@@H]1COCC[N@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140116730 936679805 /nfs/dbraw/zinc/67/98/05/936679805.db2.gz FBFSFVSVZKVSDI-CQSZACIVSA-N 1 2 285.347 1.887 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)[nH]2)CC1 ZINC001188505764 921057790 /nfs/dbraw/zinc/05/77/90/921057790.db2.gz AAUVRPSHIHAGTQ-UHFFFAOYSA-N 1 2 287.285 1.977 20 30 CDEDLO CCc1cn(CC(=O)Nc2cccc(C#N)c2)c[nH+]1 ZINC001190103141 921826102 /nfs/dbraw/zinc/82/61/02/921826102.db2.gz IWZCHALYKSTBCG-UHFFFAOYSA-N 1 2 254.293 1.956 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc(C#N)c2F)CC1 ZINC001190537127 922050789 /nfs/dbraw/zinc/05/07/89/922050789.db2.gz GWAMTYPHQXRTHZ-UHFFFAOYSA-N 1 2 273.311 1.641 20 30 CDEDLO N#Cc1c(F)cc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1F ZINC001140753119 936750629 /nfs/dbraw/zinc/75/06/29/936750629.db2.gz YHZYCHYANXEKFH-HZMBPMFUSA-N 1 2 282.290 1.012 20 30 CDEDLO N#Cc1c(F)cc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1F ZINC001140753119 936750631 /nfs/dbraw/zinc/75/06/31/936750631.db2.gz YHZYCHYANXEKFH-HZMBPMFUSA-N 1 2 282.290 1.012 20 30 CDEDLO COC(=O)[C@H](CS)[NH2+]C1CCC(C)(C(=O)OC)CC1 ZINC001168754661 922606519 /nfs/dbraw/zinc/60/65/19/922606519.db2.gz JEOJQSVZSQZXCD-QUNCOHTASA-N 1 2 289.397 1.169 20 30 CDEDLO Cc1nc(N[C@@H](C)CCNC(=O)C#CC2CC2)cc[nH+]1 ZINC001099086534 936778599 /nfs/dbraw/zinc/77/85/99/936778599.db2.gz CTAJDDNHDQNVDN-NSHDSACASA-N 1 2 272.352 1.505 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CC(=C)C)C1 ZINC001108150505 922786843 /nfs/dbraw/zinc/78/68/43/922786843.db2.gz DNUOJFHUQLNHHS-GOEBONIOSA-N 1 2 280.412 1.982 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CC(=C)C)C1 ZINC001108150505 922786857 /nfs/dbraw/zinc/78/68/57/922786857.db2.gz DNUOJFHUQLNHHS-GOEBONIOSA-N 1 2 280.412 1.982 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccoc2)C1 ZINC001035280946 922951936 /nfs/dbraw/zinc/95/19/36/922951936.db2.gz HXIRPHUVZBNYEF-CYBMUJFWSA-N 1 2 264.325 1.286 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccoc2)C1 ZINC001035280946 922951945 /nfs/dbraw/zinc/95/19/45/922951945.db2.gz HXIRPHUVZBNYEF-CYBMUJFWSA-N 1 2 264.325 1.286 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC001035286446 922957135 /nfs/dbraw/zinc/95/71/35/922957135.db2.gz WOEFOHLLCDLAGA-LBPRGKRZSA-N 1 2 263.341 1.021 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC001035286446 922957140 /nfs/dbraw/zinc/95/71/40/922957140.db2.gz WOEFOHLLCDLAGA-LBPRGKRZSA-N 1 2 263.341 1.021 20 30 CDEDLO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC001192482002 923121740 /nfs/dbraw/zinc/12/17/40/923121740.db2.gz WDTFZDOTYPCLIP-CYBMUJFWSA-N 1 2 286.379 1.457 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC001192482002 923121748 /nfs/dbraw/zinc/12/17/48/923121748.db2.gz WDTFZDOTYPCLIP-CYBMUJFWSA-N 1 2 286.379 1.457 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCC#CC)[C@H](O)C1 ZINC001099959857 936825240 /nfs/dbraw/zinc/82/52/40/936825240.db2.gz KCRZQFWXQPNAOC-UONOGXRCSA-N 1 2 298.814 1.484 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCC#CC)[C@H](O)C1 ZINC001099959857 936825243 /nfs/dbraw/zinc/82/52/43/936825243.db2.gz KCRZQFWXQPNAOC-UONOGXRCSA-N 1 2 298.814 1.484 20 30 CDEDLO N#C[C@H]1COCCN1Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141244904 936834181 /nfs/dbraw/zinc/83/41/81/936834181.db2.gz WJONBUXEHPBGKI-HNNXBMFYSA-N 1 2 268.320 1.597 20 30 CDEDLO C[C@@H](C#N)S(=O)(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC001193115524 923461045 /nfs/dbraw/zinc/46/10/45/923461045.db2.gz LRFYITINXPBREF-NSHDSACASA-N 1 2 295.364 1.167 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](OC)C(C)C)C1 ZINC001108184840 923922897 /nfs/dbraw/zinc/92/28/97/923922897.db2.gz YVWOTROMLLALNC-UKRRQHHQSA-N 1 2 284.400 1.051 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](OC)C(C)C)C1 ZINC001108184840 923922908 /nfs/dbraw/zinc/92/29/08/923922908.db2.gz YVWOTROMLLALNC-UKRRQHHQSA-N 1 2 284.400 1.051 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCCC(=O)C2)C1 ZINC000923560602 923932936 /nfs/dbraw/zinc/93/29/36/923932936.db2.gz YRAATBGFRZTAFM-HUUCEWRRSA-N 1 2 290.407 1.740 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCCC(=O)C2)C1 ZINC000923560602 923932948 /nfs/dbraw/zinc/93/29/48/923932948.db2.gz YRAATBGFRZTAFM-HUUCEWRRSA-N 1 2 290.407 1.740 20 30 CDEDLO C[N@@H+](Cc1cc(C#N)ccc1Br)C[C@@H](O)CO ZINC001141655814 936916215 /nfs/dbraw/zinc/91/62/15/936916215.db2.gz KZERDOYYEZBFAJ-LLVKDONJSA-N 1 2 299.168 1.106 20 30 CDEDLO C[N@H+](Cc1cc(C#N)ccc1Br)C[C@@H](O)CO ZINC001141655814 936916216 /nfs/dbraw/zinc/91/62/16/936916216.db2.gz KZERDOYYEZBFAJ-LLVKDONJSA-N 1 2 299.168 1.106 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](F)CC)C[C@H]1O ZINC001195255696 924512085 /nfs/dbraw/zinc/51/20/85/924512085.db2.gz YDFYWDKFQFGNRL-JHJVBQTASA-N 1 2 286.391 1.498 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](F)CC)C[C@H]1O ZINC001195255696 924512091 /nfs/dbraw/zinc/51/20/91/924512091.db2.gz YDFYWDKFQFGNRL-JHJVBQTASA-N 1 2 286.391 1.498 20 30 CDEDLO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001084360679 925238727 /nfs/dbraw/zinc/23/87/27/925238727.db2.gz KVJDIFGSMVRTHN-GMTAPVOTSA-N 1 2 294.292 1.996 20 30 CDEDLO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001084360679 925238737 /nfs/dbraw/zinc/23/87/37/925238737.db2.gz KVJDIFGSMVRTHN-GMTAPVOTSA-N 1 2 294.292 1.996 20 30 CDEDLO C=CCOCCCC(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101539272 936985603 /nfs/dbraw/zinc/98/56/03/936985603.db2.gz XVQFTUJUIGVOAN-UHFFFAOYSA-N 1 2 292.383 1.638 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001108200161 925782520 /nfs/dbraw/zinc/78/25/20/925782520.db2.gz ZVGHPFJSDCKRGC-INMHGKMJSA-N 1 2 292.423 1.653 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001108200161 925782525 /nfs/dbraw/zinc/78/25/25/925782525.db2.gz ZVGHPFJSDCKRGC-INMHGKMJSA-N 1 2 292.423 1.653 20 30 CDEDLO Cc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC2CC2)C3)o1 ZINC001110540257 925810243 /nfs/dbraw/zinc/81/02/43/925810243.db2.gz KQZAXZFZXMBHKQ-BMFZPTHFSA-N 1 2 299.374 1.618 20 30 CDEDLO Cc1ncc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC2CC2)C3)o1 ZINC001110540257 925810250 /nfs/dbraw/zinc/81/02/50/925810250.db2.gz KQZAXZFZXMBHKQ-BMFZPTHFSA-N 1 2 299.374 1.618 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](CNC(=O)C(F)C(F)(F)F)[C@H](C)C1 ZINC001101987059 937035101 /nfs/dbraw/zinc/03/51/01/937035101.db2.gz WNFXWWNVLSGPJU-BBBLOLIVSA-N 1 2 280.265 1.204 20 30 CDEDLO C#CC[N@H+]1C[C@@H](CNC(=O)C(F)C(F)(F)F)[C@H](C)C1 ZINC001101987059 937035103 /nfs/dbraw/zinc/03/51/03/937035103.db2.gz WNFXWWNVLSGPJU-BBBLOLIVSA-N 1 2 280.265 1.204 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)[C@H](C)C1 ZINC001101987059 937035105 /nfs/dbraw/zinc/03/51/05/937035105.db2.gz WNFXWWNVLSGPJU-BBBLOLIVSA-N 1 2 280.265 1.204 20 30 CDEDLO C#CC[N@H+]1C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)[C@H](C)C1 ZINC001101987059 937035108 /nfs/dbraw/zinc/03/51/08/937035108.db2.gz WNFXWWNVLSGPJU-BBBLOLIVSA-N 1 2 280.265 1.204 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(F)cn1 ZINC001085558169 926150067 /nfs/dbraw/zinc/15/00/67/926150067.db2.gz LQSLSRUULXDNPE-ZDUSSCGKSA-N 1 2 275.327 1.390 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(F)cn1 ZINC001085558169 926150072 /nfs/dbraw/zinc/15/00/72/926150072.db2.gz LQSLSRUULXDNPE-ZDUSSCGKSA-N 1 2 275.327 1.390 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(C2CCC2)c1 ZINC001085594375 926191385 /nfs/dbraw/zinc/19/13/85/926191385.db2.gz FFEPAYDMEUPHMP-OAHLLOKOSA-N 1 2 286.379 1.388 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(C2CCC2)c1 ZINC001085594375 926191389 /nfs/dbraw/zinc/19/13/89/926191389.db2.gz FFEPAYDMEUPHMP-OAHLLOKOSA-N 1 2 286.379 1.388 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001085601108 926195759 /nfs/dbraw/zinc/19/57/59/926195759.db2.gz MMPKZRRNXJVHCP-MCIONIFRSA-N 1 2 284.375 1.470 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001085601108 926195761 /nfs/dbraw/zinc/19/57/61/926195761.db2.gz MMPKZRRNXJVHCP-MCIONIFRSA-N 1 2 284.375 1.470 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccnn1C(F)F ZINC001085617662 926219227 /nfs/dbraw/zinc/21/92/27/926219227.db2.gz UBHARUICYSWFOK-JTQLQIEISA-N 1 2 282.294 1.058 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccnn1C(F)F ZINC001085617662 926219232 /nfs/dbraw/zinc/21/92/32/926219232.db2.gz UBHARUICYSWFOK-JTQLQIEISA-N 1 2 282.294 1.058 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1n[nH]c(CC)c1Cl ZINC001085646010 926246776 /nfs/dbraw/zinc/24/67/76/926246776.db2.gz NGNUQPPVAXFFJP-SNVBAGLBSA-N 1 2 294.786 1.405 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1n[nH]c(CC)c1Cl ZINC001085646010 926246786 /nfs/dbraw/zinc/24/67/86/926246786.db2.gz NGNUQPPVAXFFJP-SNVBAGLBSA-N 1 2 294.786 1.405 20 30 CDEDLO C#CC1CC[NH+](Cn2ccc(C)c(C#N)c2=O)CC1 ZINC000842633439 937066468 /nfs/dbraw/zinc/06/64/68/937066468.db2.gz HGCVOODEJXZJAJ-UHFFFAOYSA-N 1 2 255.321 1.331 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(C(C)C)cn1 ZINC001085742412 926343147 /nfs/dbraw/zinc/34/31/47/926343147.db2.gz POHMFPMHYWJUOA-ZDUSSCGKSA-N 1 2 274.368 1.244 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn(C(C)C)cn1 ZINC001085742412 926343154 /nfs/dbraw/zinc/34/31/54/926343154.db2.gz POHMFPMHYWJUOA-ZDUSSCGKSA-N 1 2 274.368 1.244 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C(C)C)cn1 ZINC001085742411 926344999 /nfs/dbraw/zinc/34/49/99/926344999.db2.gz POHMFPMHYWJUOA-CYBMUJFWSA-N 1 2 274.368 1.244 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C(C)C)cn1 ZINC001085742411 926345007 /nfs/dbraw/zinc/34/50/07/926345007.db2.gz POHMFPMHYWJUOA-CYBMUJFWSA-N 1 2 274.368 1.244 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1occc1CC ZINC001085800650 926410655 /nfs/dbraw/zinc/41/06/55/926410655.db2.gz ZGRDCYRFRLBRKR-CYBMUJFWSA-N 1 2 260.337 1.622 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1occc1CC ZINC001085800650 926410657 /nfs/dbraw/zinc/41/06/57/926410657.db2.gz ZGRDCYRFRLBRKR-CYBMUJFWSA-N 1 2 260.337 1.622 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(OC)c1C ZINC001085844796 926444175 /nfs/dbraw/zinc/44/41/75/926444175.db2.gz XXLPQXCMKWZPFI-AWEZNQCLSA-N 1 2 286.375 1.783 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(OC)c1C ZINC001085844796 926444184 /nfs/dbraw/zinc/44/41/84/926444184.db2.gz XXLPQXCMKWZPFI-AWEZNQCLSA-N 1 2 286.375 1.783 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C(C)C)nn1 ZINC001085898711 926486609 /nfs/dbraw/zinc/48/66/09/926486609.db2.gz LRDDCRZTIWHYBR-CYBMUJFWSA-N 1 2 289.383 1.029 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C(C)C)nn1 ZINC001085898711 926486613 /nfs/dbraw/zinc/48/66/13/926486613.db2.gz LRDDCRZTIWHYBR-CYBMUJFWSA-N 1 2 289.383 1.029 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnoc1C1CC1 ZINC001085903242 926491795 /nfs/dbraw/zinc/49/17/95/926491795.db2.gz AAUJXQDPSFWZHQ-ZDUSSCGKSA-N 1 2 287.363 1.722 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnoc1C1CC1 ZINC001085903242 926491801 /nfs/dbraw/zinc/49/18/01/926491801.db2.gz AAUJXQDPSFWZHQ-ZDUSSCGKSA-N 1 2 287.363 1.722 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn2c(cccc2C)n1 ZINC001085963460 926550864 /nfs/dbraw/zinc/55/08/64/926550864.db2.gz IFCJQBAZJKBQLK-AWEZNQCLSA-N 1 2 296.374 1.422 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn2c(cccc2C)n1 ZINC001085963460 926550871 /nfs/dbraw/zinc/55/08/71/926550871.db2.gz IFCJQBAZJKBQLK-AWEZNQCLSA-N 1 2 296.374 1.422 20 30 CDEDLO CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1ccc(C#N)cn1 ZINC001103335256 937136984 /nfs/dbraw/zinc/13/69/84/937136984.db2.gz YGKMQTBYBYQSMW-LBPRGKRZSA-N 1 2 298.350 1.226 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@](O)(CC#N)C2)cnc1Cl ZINC000843425816 937148281 /nfs/dbraw/zinc/14/82/81/937148281.db2.gz WYRVGEIXCMQRRW-CYBMUJFWSA-N 1 2 265.744 1.894 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@](O)(CC#N)C2)cnc1Cl ZINC000843425816 937148282 /nfs/dbraw/zinc/14/82/82/937148282.db2.gz WYRVGEIXCMQRRW-CYBMUJFWSA-N 1 2 265.744 1.894 20 30 CDEDLO CSc1nc(Cl)ncc1N1CC[NH2+]C[C@@H]1C#N ZINC001156320110 928041129 /nfs/dbraw/zinc/04/11/29/928041129.db2.gz QZZMVKLOHRISPP-ZETCQYMHSA-N 1 2 269.761 1.154 20 30 CDEDLO Cc1ccc(C#N)c(NC[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001108718651 928615541 /nfs/dbraw/zinc/61/55/41/928615541.db2.gz NJANCUASKZZXSV-NSHDSACASA-N 1 2 298.350 1.144 20 30 CDEDLO C=CCOCC(=O)N[C@@]1(C)CCN(c2cc[nH+]c(C)n2)C1 ZINC001110728535 928740852 /nfs/dbraw/zinc/74/08/52/928740852.db2.gz QCZMPHRFNWQUSQ-HNNXBMFYSA-N 1 2 290.367 1.073 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)OC)C2 ZINC001108997207 928762164 /nfs/dbraw/zinc/76/21/64/928762164.db2.gz CIPBCMNRRGWKEA-WYUUTHIRSA-N 1 2 272.776 1.495 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)OC)C2 ZINC001108997207 928762168 /nfs/dbraw/zinc/76/21/68/928762168.db2.gz CIPBCMNRRGWKEA-WYUUTHIRSA-N 1 2 272.776 1.495 20 30 CDEDLO C[C@H](C#N)OCC[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000859797515 929069005 /nfs/dbraw/zinc/06/90/05/929069005.db2.gz DWJYZGWNSJXSSR-LLVKDONJSA-N 1 2 272.352 1.641 20 30 CDEDLO C[C@H](C#N)OCC[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000859797515 929069013 /nfs/dbraw/zinc/06/90/13/929069013.db2.gz DWJYZGWNSJXSSR-LLVKDONJSA-N 1 2 272.352 1.641 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)C(F)=C(C)C)CC1 ZINC001112764940 929391113 /nfs/dbraw/zinc/39/11/13/929391113.db2.gz JUQPCNJBZGRXHA-UHFFFAOYSA-N 1 2 270.348 1.597 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)[C@@H](C)COC)CC1 ZINC001112944930 929594552 /nfs/dbraw/zinc/59/45/52/929594552.db2.gz PYDLSGZUMOTXOR-STQMWFEESA-N 1 2 254.374 1.235 20 30 CDEDLO CCCCCCC[N@H+](C)Cc1nnc2c(=O)[nH]ccn12 ZINC000880362876 929662882 /nfs/dbraw/zinc/66/28/82/929662882.db2.gz RBBQWOHLYPXTAL-UHFFFAOYSA-N 1 2 277.372 1.820 20 30 CDEDLO CCCCCCC[N@@H+](C)Cc1nnc2c(=O)[nH]ccn12 ZINC000880362876 929662889 /nfs/dbraw/zinc/66/28/89/929662889.db2.gz RBBQWOHLYPXTAL-UHFFFAOYSA-N 1 2 277.372 1.820 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000798396676 937354662 /nfs/dbraw/zinc/35/46/62/937354662.db2.gz CYIYHVDETLLRFO-QWHCGFSZSA-N 1 2 269.389 1.361 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000798396676 937354665 /nfs/dbraw/zinc/35/46/65/937354665.db2.gz CYIYHVDETLLRFO-QWHCGFSZSA-N 1 2 269.389 1.361 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)c2ccc(C)cc2)nn1 ZINC000881412199 929840966 /nfs/dbraw/zinc/84/09/66/929840966.db2.gz LDMKAVFFWLNAEK-INIZCTEOSA-N 1 2 284.363 1.433 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)c2ccc(C)cc2)nn1 ZINC000881412200 929841107 /nfs/dbraw/zinc/84/11/07/929841107.db2.gz LDMKAVFFWLNAEK-MRXNPFEDSA-N 1 2 284.363 1.433 20 30 CDEDLO C=C[C@@H]1C[C@@]1([NH2+][C@H]1CCCOCC1)C(=O)OCC ZINC001170791713 930050137 /nfs/dbraw/zinc/05/01/37/930050137.db2.gz CNNZAENKFYCDNU-DYEKYZERSA-N 1 2 253.342 1.653 20 30 CDEDLO Cn1cc(C(=O)/C=C/c2c[nH+]c3ccccn23)cn1 ZINC000133182440 930327711 /nfs/dbraw/zinc/32/77/11/930327711.db2.gz JFCJDZNBJAAIAA-AATRIKPKSA-N 1 2 252.277 1.964 20 30 CDEDLO N#CCN[C@@H]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001086756712 930363427 /nfs/dbraw/zinc/36/34/27/930363427.db2.gz PGAADWUNZXBYII-QWHCGFSZSA-N 1 2 297.362 1.346 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1ccc(C)s1 ZINC000884100616 930443326 /nfs/dbraw/zinc/44/33/26/930443326.db2.gz AALRPFDPMCANQD-QWRGUYRKSA-N 1 2 296.392 1.680 20 30 CDEDLO C#CCO[C@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccon1 ZINC001153306724 937438296 /nfs/dbraw/zinc/43/82/96/937438296.db2.gz PLTBZAICZSRRLW-CHWSQXEVSA-N 1 2 293.367 1.040 20 30 CDEDLO C#CCO[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccon1 ZINC001153306724 937438297 /nfs/dbraw/zinc/43/82/97/937438297.db2.gz PLTBZAICZSRRLW-CHWSQXEVSA-N 1 2 293.367 1.040 20 30 CDEDLO C=C[C@H]1C[C@@]1(Nc1cc[nH+]c(CC)c1)C(=O)OCC ZINC001170926952 930803774 /nfs/dbraw/zinc/80/37/74/930803774.db2.gz GCOPPALHIPKBAL-NHYWBVRUSA-N 1 2 260.337 1.986 20 30 CDEDLO C=CC[C@H](C)C(=O)N[C@@H](CCc1cn(C)c[nH+]1)C(=O)OC ZINC001144028514 931630914 /nfs/dbraw/zinc/63/09/14/931630914.db2.gz KKNQCUGVTVSCJB-AAEUAGOBSA-N 1 2 293.367 1.223 20 30 CDEDLO N#Cc1cncc(C[N@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)c1 ZINC001144074534 931646759 /nfs/dbraw/zinc/64/67/59/931646759.db2.gz SPMRKHAYJLKVGH-NEPJUHHUSA-N 1 2 265.263 1.419 20 30 CDEDLO N#Cc1cncc(C[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)c1 ZINC001144074534 931646761 /nfs/dbraw/zinc/64/67/61/931646761.db2.gz SPMRKHAYJLKVGH-NEPJUHHUSA-N 1 2 265.263 1.419 20 30 CDEDLO C=CCn1cc(CN2CC3(CC[N@@H+]3Cc3ccc[nH]3)C2)cn1 ZINC001275381359 931760010 /nfs/dbraw/zinc/76/00/10/931760010.db2.gz TXGRGSQSVGAAIX-UHFFFAOYSA-N 1 2 297.406 1.858 20 30 CDEDLO C=CCn1cc(CN2CC3(CC[N@H+]3Cc3ccc[nH]3)C2)cn1 ZINC001275381359 931760017 /nfs/dbraw/zinc/76/00/17/931760017.db2.gz TXGRGSQSVGAAIX-UHFFFAOYSA-N 1 2 297.406 1.858 20 30 CDEDLO C#CCCCC(=O)NC[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091454460 932192651 /nfs/dbraw/zinc/19/26/51/932192651.db2.gz NYBMHCANPPQSPD-HDJSIYSDSA-N 1 2 286.379 1.895 20 30 CDEDLO N#CCCn1ccc(NC(=O)CCc2[nH]cc[nH+]2)n1 ZINC001326759880 932573817 /nfs/dbraw/zinc/57/38/17/932573817.db2.gz WIXUVMAZXWJDAF-UHFFFAOYSA-N 1 2 258.285 1.091 20 30 CDEDLO C=C[C@H](CO)NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001118774590 937665550 /nfs/dbraw/zinc/66/55/50/937665550.db2.gz DMOYPIBADUMNDM-HUUCEWRRSA-N 1 2 289.379 1.099 20 30 CDEDLO C=C[C@H](CO)NC(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001118774590 937665551 /nfs/dbraw/zinc/66/55/51/937665551.db2.gz DMOYPIBADUMNDM-HUUCEWRRSA-N 1 2 289.379 1.099 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000930123470 933318699 /nfs/dbraw/zinc/31/86/99/933318699.db2.gz VBTGOTIEMUPYEC-AWEZNQCLSA-N 1 2 295.427 1.259 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000930123470 933318709 /nfs/dbraw/zinc/31/87/09/933318709.db2.gz VBTGOTIEMUPYEC-AWEZNQCLSA-N 1 2 295.427 1.259 20 30 CDEDLO C[C@H]1C[NH+]=C(NN=Cc2ccc(Oc3cnccn3)cc2)N1 ZINC000779801264 934715816 /nfs/dbraw/zinc/71/58/16/934715816.db2.gz SXKCUZAQFDYLHN-NSHDSACASA-N 1 2 296.334 1.540 20 30 CDEDLO C#CCCCC(=O)NCCCN(CC)c1cc[nH+]c(C)n1 ZINC001095865079 934752619 /nfs/dbraw/zinc/75/26/19/934752619.db2.gz NZTPRLVJUAMTKM-UHFFFAOYSA-N 1 2 288.395 1.921 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)cc1 ZINC001017301616 935634405 /nfs/dbraw/zinc/63/44/05/935634405.db2.gz KUMGTNDIGMHOIX-GASCZTMLSA-N 1 2 272.323 1.748 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)cc1 ZINC001017301616 935634407 /nfs/dbraw/zinc/63/44/07/935634407.db2.gz KUMGTNDIGMHOIX-GASCZTMLSA-N 1 2 272.323 1.748 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1Cc2ccccc2O1 ZINC001017718702 935647269 /nfs/dbraw/zinc/64/72/69/935647269.db2.gz FBURHIKIQASDEZ-HLLBOEOZSA-N 1 2 296.370 1.299 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1Cc2ccccc2O1 ZINC001017718702 935647272 /nfs/dbraw/zinc/64/72/72/935647272.db2.gz FBURHIKIQASDEZ-HLLBOEOZSA-N 1 2 296.370 1.299 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccco1 ZINC001017934232 935655000 /nfs/dbraw/zinc/65/50/00/935655000.db2.gz FLHROTWPGNZRDQ-MCIONIFRSA-N 1 2 272.348 1.692 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccco1 ZINC001017934232 935655002 /nfs/dbraw/zinc/65/50/02/935655002.db2.gz FLHROTWPGNZRDQ-MCIONIFRSA-N 1 2 272.348 1.692 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c(C)noc1C ZINC001018253669 935663388 /nfs/dbraw/zinc/66/33/88/935663388.db2.gz JLHCLLGUYRIYTB-OKILXGFUSA-N 1 2 287.363 1.142 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c(C)noc1C ZINC001018253669 935663392 /nfs/dbraw/zinc/66/33/92/935663392.db2.gz JLHCLLGUYRIYTB-OKILXGFUSA-N 1 2 287.363 1.142 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccc(COC)c2)C1 ZINC001043245221 935836171 /nfs/dbraw/zinc/83/61/71/935836171.db2.gz PVGLIJUUMGTRDV-UHFFFAOYSA-N 1 2 286.375 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1OCC[C@H]1C)C2 ZINC001096031621 935886072 /nfs/dbraw/zinc/88/60/72/935886072.db2.gz KFLSRPGNHWQGAN-CYDRSHDDSA-N 1 2 298.814 1.885 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1OCC[C@H]1C)C2 ZINC001096031621 935886076 /nfs/dbraw/zinc/88/60/76/935886076.db2.gz KFLSRPGNHWQGAN-CYDRSHDDSA-N 1 2 298.814 1.885 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCO2)C1 ZINC001046122774 935927831 /nfs/dbraw/zinc/92/78/31/935927831.db2.gz OPMVNRMGNRFBNK-AAEUAGOBSA-N 1 2 272.776 1.499 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCO2)C1 ZINC001046122774 935927834 /nfs/dbraw/zinc/92/78/34/935927834.db2.gz OPMVNRMGNRFBNK-AAEUAGOBSA-N 1 2 272.776 1.499 20 30 CDEDLO C#CC[N@H+]1CC[C@](C)(NC(=O)c2ncc(Cl)s2)C1 ZINC001046484131 935954673 /nfs/dbraw/zinc/95/46/73/935954673.db2.gz ZLCQBDSOJFGYOP-LBPRGKRZSA-N 1 2 283.784 1.624 20 30 CDEDLO C#CC[N@@H+]1CC[C@](C)(NC(=O)c2ncc(Cl)s2)C1 ZINC001046484131 935954674 /nfs/dbraw/zinc/95/46/74/935954674.db2.gz ZLCQBDSOJFGYOP-LBPRGKRZSA-N 1 2 283.784 1.624 20 30 CDEDLO N#Cc1cc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)c[nH]1 ZINC000802243099 936034683 /nfs/dbraw/zinc/03/46/83/936034683.db2.gz YEDBVKXQBRISLT-LLVKDONJSA-N 1 2 251.261 1.087 20 30 CDEDLO N#Cc1cc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)c[nH]1 ZINC000802243099 936034685 /nfs/dbraw/zinc/03/46/85/936034685.db2.gz YEDBVKXQBRISLT-LLVKDONJSA-N 1 2 251.261 1.087 20 30 CDEDLO C#CCCCCC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096359159 936050389 /nfs/dbraw/zinc/05/03/89/936050389.db2.gz YMJPOEGHAIHJFW-AWEZNQCLSA-N 1 2 286.379 1.674 20 30 CDEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+]C[C@H](O)C(C)C ZINC001253780939 936092508 /nfs/dbraw/zinc/09/25/08/936092508.db2.gz XVRPSTUHXFUMCB-STQMWFEESA-N 1 2 257.374 1.737 20 30 CDEDLO Cc1nc(N2CCC[C@H](CNC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001097302991 936289295 /nfs/dbraw/zinc/28/92/95/936289295.db2.gz PMHCNEBKZFKMTK-OAHLLOKOSA-N 1 2 298.390 1.531 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1cc(Cl)cc(Cl)n1 ZINC001156321140 938351267 /nfs/dbraw/zinc/35/12/67/938351267.db2.gz QRDQVDYOKZPDQD-QMMMGPOBSA-N 1 2 257.124 1.690 20 30 CDEDLO C[NH2+][C@@H]1CCN1c1nc(C#N)ccc1NC(=O)C(C)(C)C ZINC001156657870 938402384 /nfs/dbraw/zinc/40/23/84/938402384.db2.gz FHIWJEYAZBFMCE-LBPRGKRZSA-N 1 2 287.367 1.693 20 30 CDEDLO COc1nc(NCc2cc[nH+]c(N)c2)c(F)cc1C#N ZINC001156761760 938415248 /nfs/dbraw/zinc/41/52/48/938415248.db2.gz WCVWYSINGITSCB-UHFFFAOYSA-N 1 2 273.271 1.690 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(OC(C)C)ncc2F)CC1 ZINC001238798633 945248482 /nfs/dbraw/zinc/24/84/82/945248482.db2.gz GEEBTIGNMLWADQ-UHFFFAOYSA-N 1 2 291.370 1.759 20 30 CDEDLO N#CC1(c2cc[nH+]c(NCC(=O)N3CCCC3)c2)CC1 ZINC001164576526 939495233 /nfs/dbraw/zinc/49/52/33/939495233.db2.gz DNCITRRMLVJBGF-UHFFFAOYSA-N 1 2 270.336 1.671 20 30 CDEDLO CN(C)C(=O)CN(C)c1[nH+]ccc2ccc(C#N)cc21 ZINC001166661047 939623652 /nfs/dbraw/zinc/62/36/52/939623652.db2.gz KRCTZKXTUPFGOB-UHFFFAOYSA-N 1 2 268.320 1.631 20 30 CDEDLO CNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001205502067 939894368 /nfs/dbraw/zinc/89/43/68/939894368.db2.gz CRSJIWRZMUYVNQ-ZDUSSCGKSA-N 1 2 290.342 1.591 20 30 CDEDLO CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001205502067 939894374 /nfs/dbraw/zinc/89/43/74/939894374.db2.gz CRSJIWRZMUYVNQ-ZDUSSCGKSA-N 1 2 290.342 1.591 20 30 CDEDLO C[N@@H+]1CCC12CN(C(=O)c1cc(C#N)ccc1F)C2 ZINC001276531432 940191386 /nfs/dbraw/zinc/19/13/86/940191386.db2.gz LZXLEHKYIYKQOZ-UHFFFAOYSA-N 1 2 259.284 1.227 20 30 CDEDLO C[N@H+]1CCC12CN(C(=O)c1cc(C#N)ccc1F)C2 ZINC001276531432 940191388 /nfs/dbraw/zinc/19/13/88/940191388.db2.gz LZXLEHKYIYKQOZ-UHFFFAOYSA-N 1 2 259.284 1.227 20 30 CDEDLO N#Cc1ccccc1OC1C[NH+](CCCC2OCCO2)C1 ZINC001209308938 940458947 /nfs/dbraw/zinc/45/89/47/940458947.db2.gz LNKOYQNWEKKBCF-UHFFFAOYSA-N 1 2 288.347 1.774 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](F)CC)C[C@@H]1O ZINC001220435533 941447038 /nfs/dbraw/zinc/44/70/38/941447038.db2.gz FRHRUHCQHIGIKM-UPJWGTAASA-N 1 2 286.391 1.498 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](F)CC)C[C@@H]1O ZINC001220435533 941447040 /nfs/dbraw/zinc/44/70/40/941447040.db2.gz FRHRUHCQHIGIKM-UPJWGTAASA-N 1 2 286.391 1.498 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](OCC(=O)c3cccc(O)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001222217489 941575716 /nfs/dbraw/zinc/57/57/16/941575716.db2.gz RSNUALSNSXBLNV-NQPNPBMCSA-N 1 2 289.331 1.204 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](OCC(=O)c3cccc(O)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001222217489 941575718 /nfs/dbraw/zinc/57/57/18/941575718.db2.gz RSNUALSNSXBLNV-NQPNPBMCSA-N 1 2 289.331 1.204 20 30 CDEDLO C=CCCCC[N@@H+]1CCc2[nH]nc(C(=O)N(C)C)c2C1 ZINC001276885492 941674324 /nfs/dbraw/zinc/67/43/24/941674324.db2.gz MNRJKLHTSIIXHW-UHFFFAOYSA-N 1 2 276.384 1.826 20 30 CDEDLO C=CCCCC[N@H+]1CCc2[nH]nc(C(=O)N(C)C)c2C1 ZINC001276885492 941674325 /nfs/dbraw/zinc/67/43/25/941674325.db2.gz MNRJKLHTSIIXHW-UHFFFAOYSA-N 1 2 276.384 1.826 20 30 CDEDLO COc1ccc(C#N)cc1O[C@@H](C)C[NH+]1CCOCC1 ZINC001225684248 941900404 /nfs/dbraw/zinc/90/04/04/941900404.db2.gz NLNNSPAEUAQJJJ-LBPRGKRZSA-N 1 2 276.336 1.666 20 30 CDEDLO C=CCCC(=O)NC1CC[NH+]([C@H](C)c2nnc(C)[nH]2)CC1 ZINC001226534934 942022454 /nfs/dbraw/zinc/02/24/54/942022454.db2.gz OPXSFOGRUNXVBZ-LLVKDONJSA-N 1 2 291.399 1.721 20 30 CDEDLO Cc1cc([N+](=O)[O-])cnc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001226764169 942064913 /nfs/dbraw/zinc/06/49/13/942064913.db2.gz GIOHEPIOWSXUIG-HALBRFILSA-N 1 2 291.307 1.289 20 30 CDEDLO Cc1cc([N+](=O)[O-])cnc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001226764169 942064919 /nfs/dbraw/zinc/06/49/19/942064919.db2.gz GIOHEPIOWSXUIG-HALBRFILSA-N 1 2 291.307 1.289 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2cnc(Cl)c(C#N)c2)C1 ZINC001227747731 942217473 /nfs/dbraw/zinc/21/74/73/942217473.db2.gz OBNPNACMIIVCKS-LLVKDONJSA-N 1 2 267.716 1.316 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2cnc(Cl)c(C#N)c2)C1 ZINC001227747731 942217479 /nfs/dbraw/zinc/21/74/79/942217479.db2.gz OBNPNACMIIVCKS-LLVKDONJSA-N 1 2 267.716 1.316 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(Cl)cnc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228573204 942336817 /nfs/dbraw/zinc/33/68/17/942336817.db2.gz QTTGUTRYQMNCLG-ADAFDVPTSA-N 1 2 284.718 1.865 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(Cl)cnc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228573204 942336819 /nfs/dbraw/zinc/33/68/19/942336819.db2.gz QTTGUTRYQMNCLG-ADAFDVPTSA-N 1 2 284.718 1.865 20 30 CDEDLO COC(=O)C[C@@H](C#N)c1ccc(OC2C[NH+](C)C2)cc1 ZINC001230992678 942753453 /nfs/dbraw/zinc/75/34/53/942753453.db2.gz VRUXFACBNBGWKH-LBPRGKRZSA-N 1 2 274.320 1.550 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cnn(C)c1 ZINC001231112213 942787785 /nfs/dbraw/zinc/78/77/85/942787785.db2.gz AJJVWUMIIOZANA-AWEZNQCLSA-N 1 2 276.384 1.419 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cnn(C)c1 ZINC001231112213 942787786 /nfs/dbraw/zinc/78/77/86/942787786.db2.gz AJJVWUMIIOZANA-AWEZNQCLSA-N 1 2 276.384 1.419 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@@H+]1C/C=C\Cl ZINC001231245916 942830786 /nfs/dbraw/zinc/83/07/86/942830786.db2.gz BXWWEIKRBQEEIK-RNZFLTOJSA-N 1 2 272.776 1.474 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@H+]1C/C=C\Cl ZINC001231245916 942830789 /nfs/dbraw/zinc/83/07/89/942830789.db2.gz BXWWEIKRBQEEIK-RNZFLTOJSA-N 1 2 272.776 1.474 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(Cl)c(O)c2)CC1 ZINC001231737898 942993318 /nfs/dbraw/zinc/99/33/18/942993318.db2.gz YAQKFIZFBLAZOC-UHFFFAOYSA-N 1 2 264.756 1.796 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cccnc2OCC)CC1 ZINC001231768922 943011060 /nfs/dbraw/zinc/01/10/60/943011060.db2.gz RLUGRYAPJIHIRO-UHFFFAOYSA-N 1 2 259.353 1.231 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnc(SC)cc2C)CC1 ZINC001232347554 943234575 /nfs/dbraw/zinc/23/45/75/943234575.db2.gz DJDIPIQFPDWPMW-UHFFFAOYSA-N 1 2 275.421 1.863 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cn3cc(F)ccc3n2)CC1 ZINC001232417543 943260974 /nfs/dbraw/zinc/26/09/74/943260974.db2.gz TUAIRMPKZBQSLH-UHFFFAOYSA-N 1 2 272.327 1.224 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@](F)(CO)CC2)c1 ZINC001232673844 943354180 /nfs/dbraw/zinc/35/41/80/943354180.db2.gz OFNHNVJOSLSRSO-OAHLLOKOSA-N 1 2 278.327 1.950 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@](F)(CO)CC2)c1 ZINC001232673844 943354184 /nfs/dbraw/zinc/35/41/84/943354184.db2.gz OFNHNVJOSLSRSO-OAHLLOKOSA-N 1 2 278.327 1.950 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC001232673636 943355299 /nfs/dbraw/zinc/35/52/99/943355299.db2.gz KCXZJAZXOSAFKI-GFCCVEGCSA-N 1 2 286.253 1.763 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC001232673636 943355303 /nfs/dbraw/zinc/35/53/03/943355303.db2.gz KCXZJAZXOSAFKI-GFCCVEGCSA-N 1 2 286.253 1.763 20 30 CDEDLO N#Cc1ccc(O)c(CN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC001232675929 943356844 /nfs/dbraw/zinc/35/68/44/943356844.db2.gz FOCPCIVDXAJSBI-HNNXBMFYSA-N 1 2 271.364 1.934 20 30 CDEDLO N#Cc1ccc(O)c(CN2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC001232675929 943356846 /nfs/dbraw/zinc/35/68/46/943356846.db2.gz FOCPCIVDXAJSBI-HNNXBMFYSA-N 1 2 271.364 1.934 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H](CCO)C2)c1 ZINC001232678508 943359378 /nfs/dbraw/zinc/35/93/78/943359378.db2.gz AZFRWUBYKYWRFP-GFCCVEGCSA-N 1 2 260.337 1.858 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H](CCO)C2)c1 ZINC001232678508 943359380 /nfs/dbraw/zinc/35/93/80/943359380.db2.gz AZFRWUBYKYWRFP-GFCCVEGCSA-N 1 2 260.337 1.858 20 30 CDEDLO COC(=O)CO[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001232892832 943427740 /nfs/dbraw/zinc/42/77/40/943427740.db2.gz YGUFARGFMSXTRJ-AWEZNQCLSA-N 1 2 292.310 1.461 20 30 CDEDLO COC(=O)CO[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001232892832 943427741 /nfs/dbraw/zinc/42/77/41/943427741.db2.gz YGUFARGFMSXTRJ-AWEZNQCLSA-N 1 2 292.310 1.461 20 30 CDEDLO C#CC1CC[NH+](Cc2[nH]cnc2C(=O)OCC)CC1 ZINC001232915732 943431738 /nfs/dbraw/zinc/43/17/38/943431738.db2.gz CFXBFKHRYOHKQP-UHFFFAOYSA-N 1 2 261.325 1.432 20 30 CDEDLO COC(=O)C[C@H]1CCC[N@H+](Cc2[nH]ccc2C#N)C1 ZINC001233048102 943476170 /nfs/dbraw/zinc/47/61/70/943476170.db2.gz VYHPCWBMGLKGEA-LLVKDONJSA-N 1 2 261.325 1.661 20 30 CDEDLO COC(=O)C[C@H]1CCC[N@@H+](Cc2[nH]ccc2C#N)C1 ZINC001233048102 943476171 /nfs/dbraw/zinc/47/61/71/943476171.db2.gz VYHPCWBMGLKGEA-LLVKDONJSA-N 1 2 261.325 1.661 20 30 CDEDLO CCNC(=O)COC1CC[NH+](Cc2[nH]ccc2C#N)CC1 ZINC001233049924 943478173 /nfs/dbraw/zinc/47/81/73/943478173.db2.gz XAJZAIDITZZNKV-UHFFFAOYSA-N 1 2 290.367 1.003 20 30 CDEDLO N#Cc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)c(O)c1 ZINC001233383357 943569982 /nfs/dbraw/zinc/56/99/82/943569982.db2.gz FHHLEMKCXIFXNW-RYUDHWBXSA-N 1 2 250.273 1.169 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)c(O)c1 ZINC001233383357 943569987 /nfs/dbraw/zinc/56/99/87/943569987.db2.gz FHHLEMKCXIFXNW-RYUDHWBXSA-N 1 2 250.273 1.169 20 30 CDEDLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1O ZINC001233386908 943574421 /nfs/dbraw/zinc/57/44/21/943574421.db2.gz 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ZINC000585336267 943841940 /nfs/dbraw/zinc/84/19/40/943841940.db2.gz XLTHOWSTWLFTRJ-CYBMUJFWSA-N 1 2 261.325 1.820 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1nc(N(C)C)no1 ZINC001235436043 944154547 /nfs/dbraw/zinc/15/45/47/944154547.db2.gz DEPUOFPSVSCCEC-UHFFFAOYSA-N 1 2 295.387 1.040 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1nc(N(C)C)no1 ZINC001235436043 944154552 /nfs/dbraw/zinc/15/45/52/944154552.db2.gz DEPUOFPSVSCCEC-UHFFFAOYSA-N 1 2 295.387 1.040 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3cc(Cl)cc(C#N)c3)C[C@H]21 ZINC001237748549 944944744 /nfs/dbraw/zinc/94/47/44/944944744.db2.gz KBPLMMJWGIFENS-CABCVRRESA-N 1 2 291.782 1.726 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3cc(Cl)cc(C#N)c3)C[C@H]21 ZINC001237748549 944944751 /nfs/dbraw/zinc/94/47/51/944944751.db2.gz KBPLMMJWGIFENS-CABCVRRESA-N 1 2 291.782 1.726 20 30 CDEDLO CN1CCO[C@H]2C[N@H+](Cc3cc(Cl)cc(C#N)c3)C[C@H]21 ZINC001237748549 944944767 /nfs/dbraw/zinc/94/47/67/944944767.db2.gz KBPLMMJWGIFENS-CABCVRRESA-N 1 2 291.782 1.726 20 30 CDEDLO CN1CCO[C@H]2C[N@@H+](Cc3cc(Cl)cc(C#N)c3)C[C@H]21 ZINC001237748549 944944770 /nfs/dbraw/zinc/94/47/70/944944770.db2.gz KBPLMMJWGIFENS-CABCVRRESA-N 1 2 291.782 1.726 20 30 CDEDLO CN(C)C(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccc(C#N)cc1F ZINC001278305723 945657422 /nfs/dbraw/zinc/65/74/22/945657422.db2.gz KKVHJLQFULPMID-XJKSGUPXSA-N 1 2 287.338 1.750 20 30 CDEDLO CN(C)C(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1ccc(C#N)cc1F ZINC001278305723 945657424 /nfs/dbraw/zinc/65/74/24/945657424.db2.gz KKVHJLQFULPMID-XJKSGUPXSA-N 1 2 287.338 1.750 20 30 CDEDLO C=CCS(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001259928015 945712483 /nfs/dbraw/zinc/71/24/83/945712483.db2.gz HIKCRSOPAALHLG-GFCCVEGCSA-N 1 2 268.338 1.051 20 30 CDEDLO COC(=O)[C@@H]([NH3+])c1ccc(-c2cccnc2C#N)cc1 ZINC001242311647 946664008 /nfs/dbraw/zinc/66/40/08/946664008.db2.gz ARRPYZNXEIBXNF-AWEZNQCLSA-N 1 2 267.288 1.793 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254922416 947653050 /nfs/dbraw/zinc/65/30/50/947653050.db2.gz 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/nfs/dbraw/zinc/83/14/87/948831487.db2.gz YCLCEVIXEJKXTN-ZFWWWQNUSA-N 1 2 273.380 1.814 20 30 CDEDLO C=CCOC(=O)N1CC[NH+]([C@H](C)CCC(=O)OCC)CC1 ZINC001258501039 948908905 /nfs/dbraw/zinc/90/89/05/948908905.db2.gz QKPWFXLCIOXBGT-CYBMUJFWSA-N 1 2 298.383 1.658 20 30 CDEDLO C#CCN1CC[NH+](Cc2cn(C)nc2[C@@H](C)CC)CC1 ZINC001249408906 949570334 /nfs/dbraw/zinc/57/03/34/949570334.db2.gz OKDMDZSCFBZCRG-AWEZNQCLSA-N 1 2 274.412 1.684 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cn(C)nc2[C@@H](C)CC)CC1 ZINC001249408906 949570351 /nfs/dbraw/zinc/57/03/51/949570351.db2.gz OKDMDZSCFBZCRG-AWEZNQCLSA-N 1 2 274.412 1.684 20 30 CDEDLO CC[C@@H](C)c1nn(C)cc1C[NH+]1CCN(CCC#N)CC1 ZINC001249407702 949572120 /nfs/dbraw/zinc/57/21/20/949572120.db2.gz NTQYFEWPRKQGBT-CQSZACIVSA-N 1 2 289.427 1.965 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc(F)c2)C1 ZINC001250810997 950398404 /nfs/dbraw/zinc/39/84/04/950398404.db2.gz XGRMYEXJLSTKGW-GXTWGEPZSA-N 1 2 278.327 1.801 20 30 CDEDLO N#C[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc(F)c2)C1 ZINC001250810997 950398428 /nfs/dbraw/zinc/39/84/28/950398428.db2.gz XGRMYEXJLSTKGW-GXTWGEPZSA-N 1 2 278.327 1.801 20 30 CDEDLO Cc1cc(C#N)c(NC[C@@H](O)C[NH+]2CCOCC2)cc1F ZINC001251033387 950569775 /nfs/dbraw/zinc/56/97/75/950569775.db2.gz KAYZMGBHCKUYBM-CYBMUJFWSA-N 1 2 293.342 1.111 20 30 CDEDLO C=C[C@@](C)(O)C[NH2+]C1(c2ccccc2OC)COC1 ZINC001252578685 951472083 /nfs/dbraw/zinc/47/20/83/951472083.db2.gz GKHOQXSVSLPUQL-CQSZACIVSA-N 1 2 263.337 1.447 20 30 CDEDLO COc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C#N)C2)cc1 ZINC001252719003 951610667 /nfs/dbraw/zinc/61/06/67/951610667.db2.gz TVMSQJQIGWUAEE-CHWSQXEVSA-N 1 2 276.336 1.280 20 30 CDEDLO COc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C#N)C2)cc1 ZINC001252719003 951610673 /nfs/dbraw/zinc/61/06/73/951610673.db2.gz TVMSQJQIGWUAEE-CHWSQXEVSA-N 1 2 276.336 1.280 20 30 CDEDLO N#CCc1cccc(C(=O)N2CCc3cc[nH+]c(N)c3C2)c1 ZINC001363508322 953397422 /nfs/dbraw/zinc/39/74/22/953397422.db2.gz OPFJJNMBSCMKCI-UHFFFAOYSA-N 1 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ZEPYSJFOCORHEO-CYBMUJFWSA-N 1 2 289.379 1.723 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C#CC(C)(C)C)C2)on1 ZINC001318331903 958045365 /nfs/dbraw/zinc/04/53/65/958045365.db2.gz ZEPYSJFOCORHEO-CYBMUJFWSA-N 1 2 289.379 1.723 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@]1(F)CCOC1 ZINC001438903493 963595846 /nfs/dbraw/zinc/59/58/46/963595846.db2.gz RVEYLZLXGMSDLT-LBPRGKRZSA-N 1 2 278.755 1.258 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1c[nH]nc1C ZINC001445015331 966059437 /nfs/dbraw/zinc/05/94/37/966059437.db2.gz AJACEARAWJDIBE-UHFFFAOYSA-N 1 2 270.764 1.474 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1c[nH]nc1C ZINC001445015331 966059450 /nfs/dbraw/zinc/05/94/50/966059450.db2.gz AJACEARAWJDIBE-UHFFFAOYSA-N 1 2 270.764 1.474 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccnn1C ZINC001445698527 966289106 /nfs/dbraw/zinc/28/91/06/966289106.db2.gz WTVMXQQQDXNALO-JTQLQIEISA-N 1 2 270.764 1.223 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccnn1C ZINC001445698527 966289115 /nfs/dbraw/zinc/28/91/15/966289115.db2.gz WTVMXQQQDXNALO-JTQLQIEISA-N 1 2 270.764 1.223 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cccc(OC)n1 ZINC001448103925 966997537 /nfs/dbraw/zinc/99/75/37/966997537.db2.gz GVRQGEWOCZZAKL-LLVKDONJSA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cccc(OC)n1 ZINC001448103925 966997543 /nfs/dbraw/zinc/99/75/43/966997543.db2.gz GVRQGEWOCZZAKL-LLVKDONJSA-N 1 2 297.786 1.893 20 30 CDEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)CC(=C)C ZINC001352094070 967092168 /nfs/dbraw/zinc/09/21/68/967092168.db2.gz RBAHLXIDFWGOHG-UHFFFAOYSA-N 1 2 286.383 1.801 20 30 CDEDLO C=CCNC(=S)N1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001200286846 967837423 /nfs/dbraw/zinc/83/74/23/967837423.db2.gz SNMBBGQCFWMVMG-UHFFFAOYSA-N 1 2 290.436 1.989 20 30 CDEDLO C=CCNC(=S)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001200289548 967849858 /nfs/dbraw/zinc/84/98/58/967849858.db2.gz AJJSLDCYESEOBI-LBPRGKRZSA-N 1 2 263.366 1.595 20 30 CDEDLO C=CCNC(=S)NCc1c[nH+]cn1C1CCOCC1 ZINC001200304091 967900187 /nfs/dbraw/zinc/90/01/87/967900187.db2.gz OTFRLCRUZLOWNU-UHFFFAOYSA-N 1 2 280.397 1.385 20 30 CDEDLO CC#CCNC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001353468315 968000470 /nfs/dbraw/zinc/00/04/70/968000470.db2.gz ALKHMWNSLJHJAE-UHFFFAOYSA-N 1 2 260.341 1.332 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2cncn2)cc1 ZINC001353872590 968297721 /nfs/dbraw/zinc/29/77/21/968297721.db2.gz QASJEIXDMBLXHX-HNNXBMFYSA-N 1 2 295.346 1.303 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2cncn2)cc1 ZINC001353872590 968297735 /nfs/dbraw/zinc/29/77/35/968297735.db2.gz QASJEIXDMBLXHX-HNNXBMFYSA-N 1 2 295.346 1.303 20 30 CDEDLO Cc1cc(C)c(C(=O)N2CC(O)(CC#N)C2)c(C)[nH+]1 ZINC001354007592 968406171 /nfs/dbraw/zinc/40/61/71/968406171.db2.gz ZRNKIEGLACRZJR-UHFFFAOYSA-N 1 2 259.309 1.107 20 30 CDEDLO N#CC1(CN2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)CC1 ZINC001460415687 969505257 /nfs/dbraw/zinc/50/52/57/969505257.db2.gz MOAFGMGASYEHPU-DLBZAZTESA-N 1 2 297.402 1.875 20 30 CDEDLO N#CC1(CN2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)CC1 ZINC001460415687 969505262 /nfs/dbraw/zinc/50/52/62/969505262.db2.gz MOAFGMGASYEHPU-DLBZAZTESA-N 1 2 297.402 1.875 20 30 CDEDLO C=CCN1CC[C@H](N(C)c2ccc(CC)c[nH+]2)C1=O ZINC001515721189 969913455 /nfs/dbraw/zinc/91/34/55/969913455.db2.gz UIHPXZLJCUUGKJ-ZDUSSCGKSA-N 1 2 259.353 1.867 20 30 CDEDLO N#Cc1cc(F)ccc1N1CCN(c2cc(N)nc[nH+]2)CC1 ZINC001548519489 976260276 /nfs/dbraw/zinc/26/02/76/976260276.db2.gz MZGHKINBCRPQOK-UHFFFAOYSA-N 1 2 298.325 1.396 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(N(C)C)ccn1 ZINC001403791242 977193683 /nfs/dbraw/zinc/19/36/83/977193683.db2.gz BOQFISTYQPOIKG-UHFFFAOYSA-N 1 2 296.802 1.562 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(N(C)C)ccn1 ZINC001403791242 977193689 /nfs/dbraw/zinc/19/36/89/977193689.db2.gz BOQFISTYQPOIKG-UHFFFAOYSA-N 1 2 296.802 1.562 20 30 CDEDLO C=CCCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(N)=O)C2)CC1 ZINC001132290188 1163232893 /nfs/dbraw/zinc/23/28/93/1163232893.db2.gz BDZWSTBYMGRUBM-STQMWFEESA-N 1 2 293.411 1.187 20 30 CDEDLO C=CCCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(N)=O)C2)CC1 ZINC001132290188 1163232895 /nfs/dbraw/zinc/23/28/95/1163232895.db2.gz BDZWSTBYMGRUBM-STQMWFEESA-N 1 2 293.411 1.187 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001132303890 1163234641 /nfs/dbraw/zinc/23/46/41/1163234641.db2.gz ABTJVFYZROZRKG-SNVBAGLBSA-N 1 2 280.372 1.747 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1ncc(CC)o1 ZINC001132568769 1163376429 /nfs/dbraw/zinc/37/64/29/1163376429.db2.gz DHUKFIQXLGFWSS-NWDGAFQWSA-N 1 2 279.384 1.901 20 30 CDEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1ncccn1 ZINC001132569534 1163378621 /nfs/dbraw/zinc/37/86/21/1163378621.db2.gz UEWWBDXVBVAYKC-NEPJUHHUSA-N 1 2 262.357 1.141 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[NH2+][C@H](C)c2nnc(CC)o2)C1 ZINC001133566039 1163788372 /nfs/dbraw/zinc/78/83/72/1163788372.db2.gz RVICRJYTUZKGRT-LLVKDONJSA-N 1 2 292.383 1.755 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCN1CCC[C@@](C)(C#N)C1 ZINC001653855798 1171568615 /nfs/dbraw/zinc/56/86/15/1171568615.db2.gz KJLALADFIZJRNZ-KGLIPLIRSA-N 1 2 251.374 1.333 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCN1CCC[C@@](C)(C#N)C1 ZINC001653855798 1171568623 /nfs/dbraw/zinc/56/86/23/1171568623.db2.gz KJLALADFIZJRNZ-KGLIPLIRSA-N 1 2 251.374 1.333 20 30 CDEDLO N#Cc1cccc(C(=O)NCCCNc2cccc[nH+]2)n1 ZINC000589416858 342505304 /nfs/dbraw/zinc/50/53/04/342505304.db2.gz REEBWYVIIITGBK-UHFFFAOYSA-N 1 2 281.319 1.580 20 30 CDEDLO CN(CC(C)(C)C#N)c1cc(-n2cc[nH+]c2)ncn1 ZINC000590085246 342521622 /nfs/dbraw/zinc/52/16/22/342521622.db2.gz ZBNKMKVBISEGJI-UHFFFAOYSA-N 1 2 256.313 1.648 20 30 CDEDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)CC1(CC#N)CC1 ZINC000601427661 342561878 /nfs/dbraw/zinc/56/18/78/342561878.db2.gz GAIMIXAZOZROOP-NSHDSACASA-N 1 2 296.396 1.577 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000590740827 342586546 /nfs/dbraw/zinc/58/65/46/342586546.db2.gz VXYZMDFNEJGKCB-KBPBESRZSA-N 1 2 260.337 1.989 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000590740827 342586547 /nfs/dbraw/zinc/58/65/47/342586547.db2.gz VXYZMDFNEJGKCB-KBPBESRZSA-N 1 2 260.337 1.989 20 30 CDEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1F ZINC000590885934 342605686 /nfs/dbraw/zinc/60/56/86/342605686.db2.gz XJORWLFBCXTBGJ-CYBMUJFWSA-N 1 2 298.321 1.773 20 30 CDEDLO C[C@H](CC#N)[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000589941496 342609688 /nfs/dbraw/zinc/60/96/88/342609688.db2.gz KTKFMMDHVIYDNU-LLVKDONJSA-N 1 2 255.321 1.930 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000591258861 342623277 /nfs/dbraw/zinc/62/32/77/342623277.db2.gz AIPQZHFDXHZKFT-GXFFZTMASA-N 1 2 261.300 1.823 20 30 CDEDLO N#Cc1csc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000091928447 342135659 /nfs/dbraw/zinc/13/56/59/342135659.db2.gz QVFNGLQMYJUXQI-KBPBESRZSA-N 1 2 278.377 2.000 20 30 CDEDLO N#Cc1csc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000091928447 342135660 /nfs/dbraw/zinc/13/56/60/342135660.db2.gz QVFNGLQMYJUXQI-KBPBESRZSA-N 1 2 278.377 2.000 20 30 CDEDLO N#CC[C@@]1(O)CCN(c2cc[nH+]c3ccncc32)C1 ZINC000591975710 342661106 /nfs/dbraw/zinc/66/11/06/342661106.db2.gz QSZCUHFUCLIYGX-CQSZACIVSA-N 1 2 254.293 1.485 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000592147415 342667975 /nfs/dbraw/zinc/66/79/75/342667975.db2.gz LNFQUWRVPDCNIQ-CQSZACIVSA-N 1 2 259.284 1.548 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000592147415 342667976 /nfs/dbraw/zinc/66/79/76/342667976.db2.gz LNFQUWRVPDCNIQ-CQSZACIVSA-N 1 2 259.284 1.548 20 30 CDEDLO CCN(C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592147790 342668123 /nfs/dbraw/zinc/66/81/23/342668123.db2.gz SDUOJCHETPDVGL-INIZCTEOSA-N 1 2 287.363 1.390 20 30 CDEDLO CCN(C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592147790 342668124 /nfs/dbraw/zinc/66/81/24/342668124.db2.gz SDUOJCHETPDVGL-INIZCTEOSA-N 1 2 287.363 1.390 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc(Br)cn2)C1 ZINC000592150572 342668587 /nfs/dbraw/zinc/66/85/87/342668587.db2.gz GVLWCQRVGAVOHI-LBPRGKRZSA-N 1 2 296.168 1.695 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(Br)cn2)C1 ZINC000592150572 342668588 /nfs/dbraw/zinc/66/85/88/342668588.db2.gz GVLWCQRVGAVOHI-LBPRGKRZSA-N 1 2 296.168 1.695 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000592152519 342669491 /nfs/dbraw/zinc/66/94/91/342669491.db2.gz YONPXTBNWILWNW-HNNXBMFYSA-N 1 2 258.296 1.528 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000592152519 342669493 /nfs/dbraw/zinc/66/94/93/342669493.db2.gz YONPXTBNWILWNW-HNNXBMFYSA-N 1 2 258.296 1.528 20 30 CDEDLO Cc1nc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c(Cl)cc1C#N ZINC000593503307 342808712 /nfs/dbraw/zinc/80/87/12/342808712.db2.gz GYUVPIXRQJTOKK-GFCCVEGCSA-N 1 2 292.770 1.170 20 30 CDEDLO Cc1nc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c(Cl)cc1C#N ZINC000593503307 342808713 /nfs/dbraw/zinc/80/87/13/342808713.db2.gz GYUVPIXRQJTOKK-GFCCVEGCSA-N 1 2 292.770 1.170 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000593735391 342830842 /nfs/dbraw/zinc/83/08/42/342830842.db2.gz XPOXOYVLVHUQFW-MNOVXSKESA-N 1 2 260.341 1.879 20 30 CDEDLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000157142579 362002940 /nfs/dbraw/zinc/00/29/40/362002940.db2.gz UUWFCOZHKUNJHK-SWLSCSKDSA-N 1 2 279.767 1.773 20 30 CDEDLO C[C@H]1CO[C@@H](CO)C[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000157142579 362002941 /nfs/dbraw/zinc/00/29/41/362002941.db2.gz UUWFCOZHKUNJHK-SWLSCSKDSA-N 1 2 279.767 1.773 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000594009588 342863254 /nfs/dbraw/zinc/86/32/54/342863254.db2.gz DYNBLAPDFRNRSS-LLVKDONJSA-N 1 2 289.335 1.678 20 30 CDEDLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000593976603 342863655 /nfs/dbraw/zinc/86/36/55/342863655.db2.gz PXHIUEGVTWQLRD-AWEZNQCLSA-N 1 2 259.309 1.481 20 30 CDEDLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000593976603 342863656 /nfs/dbraw/zinc/86/36/56/342863656.db2.gz PXHIUEGVTWQLRD-AWEZNQCLSA-N 1 2 259.309 1.481 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000600617276 342238676 /nfs/dbraw/zinc/23/86/76/342238676.db2.gz GGWHOHSXMZQLBG-SNVBAGLBSA-N 1 2 275.308 1.288 20 30 CDEDLO COc1cccc(NC[C@H](O)C[N@H+](C)CCC#N)c1C ZINC000600754930 342247652 /nfs/dbraw/zinc/24/76/52/342247652.db2.gz NIGFNCVJVSLMNY-ZDUSSCGKSA-N 1 2 277.368 1.622 20 30 CDEDLO COc1cccc(NC[C@H](O)C[N@@H+](C)CCC#N)c1C ZINC000600754930 342247653 /nfs/dbraw/zinc/24/76/53/342247653.db2.gz NIGFNCVJVSLMNY-ZDUSSCGKSA-N 1 2 277.368 1.622 20 30 CDEDLO C=CCC1(NC(=O)CCc2c[nH+]cn2C)CCOCC1 ZINC000618249400 342266050 /nfs/dbraw/zinc/26/60/50/342266050.db2.gz SCNQOBMSMOCBIF-UHFFFAOYSA-N 1 2 277.368 1.594 20 30 CDEDLO C[N@H+](CC(=O)NCC#N)Cc1ccc(F)cc1F ZINC000076668472 342322932 /nfs/dbraw/zinc/32/29/32/342322932.db2.gz QMFWGUAHXVDLGD-UHFFFAOYSA-N 1 2 253.252 1.036 20 30 CDEDLO C[N@@H+](CC(=O)NCC#N)Cc1ccc(F)cc1F ZINC000076668472 342322933 /nfs/dbraw/zinc/32/29/33/342322933.db2.gz QMFWGUAHXVDLGD-UHFFFAOYSA-N 1 2 253.252 1.036 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000595613768 343109685 /nfs/dbraw/zinc/10/96/85/343109685.db2.gz HFWWKDXPFJADCQ-GHMZBOCLSA-N 1 2 289.301 1.775 20 30 CDEDLO N#CC[C@H]1CCC[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000595613768 343109686 /nfs/dbraw/zinc/10/96/86/343109686.db2.gz HFWWKDXPFJADCQ-GHMZBOCLSA-N 1 2 289.301 1.775 20 30 CDEDLO Cn1cc[nH+]c1CN1CCN(c2ccsc2C#N)CC1 ZINC000595630334 343113431 /nfs/dbraw/zinc/11/34/31/343113431.db2.gz UPJKBVZPDOVSAX-UHFFFAOYSA-N 1 2 287.392 1.675 20 30 CDEDLO Cc1nnc(C[N@H+](C)CCC(=O)Nc2cccc(C#N)c2)o1 ZINC000595700816 343126188 /nfs/dbraw/zinc/12/61/88/343126188.db2.gz OENOBZVVGVXSDK-UHFFFAOYSA-N 1 2 299.334 1.710 20 30 CDEDLO Cc1nnc(C[N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)o1 ZINC000595700816 343126189 /nfs/dbraw/zinc/12/61/89/343126189.db2.gz OENOBZVVGVXSDK-UHFFFAOYSA-N 1 2 299.334 1.710 20 30 CDEDLO CCC[C@H]1C[C@@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000079844524 342347936 /nfs/dbraw/zinc/34/79/36/342347936.db2.gz HRBVKTMOZCECKS-GJZGRUSLSA-N 1 2 293.411 1.497 20 30 CDEDLO C[N@H+](CC1=CCCOC1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000595748245 343151578 /nfs/dbraw/zinc/15/15/78/343151578.db2.gz YUBWQCLVELPRMA-OAHLLOKOSA-N 1 2 285.347 1.363 20 30 CDEDLO C[N@@H+](CC1=CCCOC1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000595748245 343151581 /nfs/dbraw/zinc/15/15/81/343151581.db2.gz YUBWQCLVELPRMA-OAHLLOKOSA-N 1 2 285.347 1.363 20 30 CDEDLO Cc1ccc(C)c(OC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000083219212 342376656 /nfs/dbraw/zinc/37/66/56/342376656.db2.gz UZUIPVNFKHODRZ-CQSZACIVSA-N 1 2 262.353 1.889 20 30 CDEDLO Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000083219212 342376657 /nfs/dbraw/zinc/37/66/57/342376657.db2.gz UZUIPVNFKHODRZ-CQSZACIVSA-N 1 2 262.353 1.889 20 30 CDEDLO C[N@H+](CC(=O)NCC#N)Cc1cc(F)cc(F)c1 ZINC000444696722 362198217 /nfs/dbraw/zinc/19/82/17/362198217.db2.gz OSSPWZBSJZKCOG-UHFFFAOYSA-N 1 2 253.252 1.036 20 30 CDEDLO C[N@@H+](CC(=O)NCC#N)Cc1cc(F)cc(F)c1 ZINC000444696722 362198226 /nfs/dbraw/zinc/19/82/26/362198226.db2.gz OSSPWZBSJZKCOG-UHFFFAOYSA-N 1 2 253.252 1.036 20 30 CDEDLO CN1CCOC[C@@H]1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329054317 529780419 /nfs/dbraw/zinc/78/04/19/529780419.db2.gz XKACANSDAAEIRX-GFCCVEGCSA-N 1 2 278.356 1.007 20 30 CDEDLO CN(C)[C@@H](C(=O)N1CCC[C@H](CC#N)C1)c1c[nH+]cn1C ZINC000597902958 343666067 /nfs/dbraw/zinc/66/60/67/343666067.db2.gz FSEZSTHOOHIDBY-TZMCWYRMSA-N 1 2 289.383 1.175 20 30 CDEDLO Cc1c[nH]c(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000600162078 349838706 /nfs/dbraw/zinc/83/87/06/349838706.db2.gz PZDZFTNJJSJLPW-ZDUSSCGKSA-N 1 2 283.335 1.638 20 30 CDEDLO Cc1c[nH]c(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000600162078 349838708 /nfs/dbraw/zinc/83/87/08/349838708.db2.gz PZDZFTNJJSJLPW-ZDUSSCGKSA-N 1 2 283.335 1.638 20 30 CDEDLO Cc1[nH]c(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)[nH+]c1C ZINC000600161098 349839015 /nfs/dbraw/zinc/83/90/15/349839015.db2.gz HMEANHXDSAIUJQ-AWEZNQCLSA-N 1 2 297.362 1.947 20 30 CDEDLO Cc1nc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)[nH]c1C ZINC000600161098 349839019 /nfs/dbraw/zinc/83/90/19/349839019.db2.gz HMEANHXDSAIUJQ-AWEZNQCLSA-N 1 2 297.362 1.947 20 30 CDEDLO Cc1nc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)[nH]c1C ZINC000600161098 349839023 /nfs/dbraw/zinc/83/90/23/349839023.db2.gz HMEANHXDSAIUJQ-AWEZNQCLSA-N 1 2 297.362 1.947 20 30 CDEDLO C[C@H](O)C[N@H+](CC(F)F)C[C@@H](O)CC(C)(C)C#N ZINC000598622283 343845722 /nfs/dbraw/zinc/84/57/22/343845722.db2.gz ZZNQAZNMBXTREW-UWVGGRQHSA-N 1 2 264.316 1.235 20 30 CDEDLO C[C@H](O)C[N@@H+](CC(F)F)C[C@@H](O)CC(C)(C)C#N ZINC000598622283 343845725 /nfs/dbraw/zinc/84/57/25/343845725.db2.gz ZZNQAZNMBXTREW-UWVGGRQHSA-N 1 2 264.316 1.235 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cccc2nsnc21 ZINC000573575231 334948507 /nfs/dbraw/zinc/94/85/07/334948507.db2.gz BFNIQGQWEUSAHZ-VIFPVBQESA-N 1 2 289.364 1.912 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2ncsc2C1 ZINC000445870448 362276741 /nfs/dbraw/zinc/27/67/41/362276741.db2.gz AIMCRGRBESGBBI-LLVKDONJSA-N 1 2 292.408 1.509 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2ncsc2C1 ZINC000445870448 362276747 /nfs/dbraw/zinc/27/67/47/362276747.db2.gz AIMCRGRBESGBBI-LLVKDONJSA-N 1 2 292.408 1.509 20 30 CDEDLO C=CCSCCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000601567576 344193131 /nfs/dbraw/zinc/19/31/31/344193131.db2.gz MMGQQJARJMQCOB-UHFFFAOYSA-N 1 2 254.359 1.470 20 30 CDEDLO Cc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(F)c1F ZINC000602331395 344401504 /nfs/dbraw/zinc/40/15/04/344401504.db2.gz CNPUZZGZVSHJPY-CQSZACIVSA-N 1 2 281.306 1.847 20 30 CDEDLO Cn1ccc2ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc21 ZINC000602331504 344402267 /nfs/dbraw/zinc/40/22/67/344402267.db2.gz DSRNJJRIVKRFFC-INIZCTEOSA-N 1 2 284.363 1.752 20 30 CDEDLO COC(=O)c1ccc(C[N@H+](C)CC(C)(C)C#N)n1C ZINC000602675590 344525079 /nfs/dbraw/zinc/52/50/79/344525079.db2.gz MNDKGEBMZDFDLE-UHFFFAOYSA-N 1 2 263.341 1.793 20 30 CDEDLO COC(=O)c1ccc(C[N@@H+](C)CC(C)(C)C#N)n1C ZINC000602675590 344525081 /nfs/dbraw/zinc/52/50/81/344525081.db2.gz MNDKGEBMZDFDLE-UHFFFAOYSA-N 1 2 263.341 1.793 20 30 CDEDLO COc1cc(C[N@@H+]2CC[C@](O)(CC#N)C2)c(Cl)cc1O ZINC000602695718 344542699 /nfs/dbraw/zinc/54/26/99/344542699.db2.gz GWHJDWFYDJJIDZ-CQSZACIVSA-N 1 2 296.754 1.905 20 30 CDEDLO COc1cc(C[N@H+]2CC[C@](O)(CC#N)C2)c(Cl)cc1O ZINC000602695718 344542702 /nfs/dbraw/zinc/54/27/02/344542702.db2.gz GWHJDWFYDJJIDZ-CQSZACIVSA-N 1 2 296.754 1.905 20 30 CDEDLO COC(=O)C[NH+]1CCC(Nc2cc(F)cc(C#N)c2)CC1 ZINC000602726563 344567014 /nfs/dbraw/zinc/56/70/14/344567014.db2.gz YEKGETJQTWNWIR-UHFFFAOYSA-N 1 2 291.326 1.747 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC000602860697 344616704 /nfs/dbraw/zinc/61/67/04/344616704.db2.gz FJNUYQQAMPBBOB-BFHYXJOUSA-N 1 2 281.400 1.590 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000602860651 344616782 /nfs/dbraw/zinc/61/67/82/344616782.db2.gz DAEUENQFUDLIJB-OLZOCXBDSA-N 1 2 259.353 1.925 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC#CCN1C(=O)c2ccccc2C1=O ZINC000602869607 344640422 /nfs/dbraw/zinc/64/04/22/344640422.db2.gz GURPJJVSFVMMKO-LBPRGKRZSA-N 1 2 281.315 1.178 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)NC(=O)Nc1ccccc1F ZINC000602869852 344640446 /nfs/dbraw/zinc/64/04/46/344640446.db2.gz PSPRNZNECZNAHS-VHSXEESVSA-N 1 2 292.314 1.754 20 30 CDEDLO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H](C)CC#N)c1C ZINC000602869809 344640652 /nfs/dbraw/zinc/64/06/52/344640652.db2.gz PDBWPYTZLPVGRI-KCJUWKMLSA-N 1 2 291.351 1.881 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000602870451 344641240 /nfs/dbraw/zinc/64/12/40/344641240.db2.gz UDPLDBGFOJJPED-FZMZJTMJSA-N 1 2 268.320 1.555 20 30 CDEDLO CCCC(=O)NC1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000603839606 344839241 /nfs/dbraw/zinc/83/92/41/344839241.db2.gz LELYSAQHNGOHDG-ZDUSSCGKSA-N 1 2 276.384 1.811 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000382630180 345230755 /nfs/dbraw/zinc/23/07/55/345230755.db2.gz KRALIIYHYFMIRG-DZGCQCFKSA-N 1 2 279.384 1.249 20 30 CDEDLO Cn1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000071072753 345319730 /nfs/dbraw/zinc/31/97/30/345319730.db2.gz CIMQQBJDGHPGMN-UHFFFAOYSA-N 1 2 295.390 1.610 20 30 CDEDLO Cc1ccccc1CCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000573729974 334961956 /nfs/dbraw/zinc/96/19/56/334961956.db2.gz SOUBLPQGKUAUDA-INIZCTEOSA-N 1 2 273.380 1.888 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617725957 345931162 /nfs/dbraw/zinc/93/11/62/345931162.db2.gz QXMPXZOGCYWBQW-UMVBOHGHSA-N 1 2 268.401 1.814 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617725957 345931164 /nfs/dbraw/zinc/93/11/64/345931164.db2.gz QXMPXZOGCYWBQW-UMVBOHGHSA-N 1 2 268.401 1.814 20 30 CDEDLO CCC[C@@H]([NH2+]C1CCN(CC#N)CC1)C(=O)OCC ZINC000610341929 346256839 /nfs/dbraw/zinc/25/68/39/346256839.db2.gz KGACZGKIQXAZSK-CYBMUJFWSA-N 1 2 267.373 1.296 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635889091 362689616 /nfs/dbraw/zinc/68/96/16/362689616.db2.gz HMCYRLJFMHUUIU-XHDPSFHLSA-N 1 2 277.368 1.612 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610729936 346383739 /nfs/dbraw/zinc/38/37/39/346383739.db2.gz PEYSPPGGWZBBPD-HIFRSBDPSA-N 1 2 287.363 1.726 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610729936 346383741 /nfs/dbraw/zinc/38/37/41/346383741.db2.gz PEYSPPGGWZBBPD-HIFRSBDPSA-N 1 2 287.363 1.726 20 30 CDEDLO CCC(CC)NC(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611173751 346626972 /nfs/dbraw/zinc/62/69/72/346626972.db2.gz JFQWVGGLKNSTMZ-CYBMUJFWSA-N 1 2 280.416 1.211 20 30 CDEDLO CC(C)N(C(=O)C[NH+]1CCN(CCC#N)CC1)C(C)C ZINC000611174306 346628115 /nfs/dbraw/zinc/62/81/15/346628115.db2.gz CCEZQMJHBVYIKQ-UHFFFAOYSA-N 1 2 280.416 1.163 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(-c3ccco3)on2)CC1 ZINC000068468323 347564222 /nfs/dbraw/zinc/56/42/22/347564222.db2.gz GLSABHKAOHHYQF-UHFFFAOYSA-N 1 2 299.330 1.716 20 30 CDEDLO N#Cc1ccnc(N2CC[NH+](Cc3cncnc3)CC2)c1 ZINC000271024797 347622022 /nfs/dbraw/zinc/62/20/22/347622022.db2.gz DEPNKTCRCZLPJH-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO C#CC[NH+]1CCN(CCOc2ccccc2Cl)CC1 ZINC000054421993 347822429 /nfs/dbraw/zinc/82/24/29/347822429.db2.gz XABUJFUAFSLSNV-UHFFFAOYSA-N 1 2 278.783 1.970 20 30 CDEDLO C#CCN1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000054421993 347822431 /nfs/dbraw/zinc/82/24/31/347822431.db2.gz XABUJFUAFSLSNV-UHFFFAOYSA-N 1 2 278.783 1.970 20 30 CDEDLO C=C[C@@H](C(=O)OC)N1CC[NH+](Cc2ccco2)CC1 ZINC000619715925 348175154 /nfs/dbraw/zinc/17/51/54/348175154.db2.gz APEWNTTUEXEWKG-ZDUSSCGKSA-N 1 2 264.325 1.125 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc2c1OCCO2 ZINC000414144544 362922701 /nfs/dbraw/zinc/92/27/01/362922701.db2.gz JRKYKWPXGFMSIA-GFCCVEGCSA-N 1 2 292.335 1.043 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc2c1OCCO2 ZINC000414144544 362922707 /nfs/dbraw/zinc/92/27/07/362922707.db2.gz JRKYKWPXGFMSIA-GFCCVEGCSA-N 1 2 292.335 1.043 20 30 CDEDLO C#CC[NH+]1CCN(c2ncnc3sc4c(c32)CCC4)CC1 ZINC000024201839 348545499 /nfs/dbraw/zinc/54/54/99/348545499.db2.gz ZGEJMYLGEWUGQI-UHFFFAOYSA-N 1 2 298.415 1.935 20 30 CDEDLO N#CCSCC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000041807447 348710116 /nfs/dbraw/zinc/71/01/16/348710116.db2.gz KYAUQODPDCZMAC-UHFFFAOYSA-N 1 2 290.392 1.555 20 30 CDEDLO Cc1noc(CN2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000058194749 348856305 /nfs/dbraw/zinc/85/63/05/348856305.db2.gz IONRGWIPMJDEFD-UHFFFAOYSA-N 1 2 297.362 1.568 20 30 CDEDLO CCn1cc(CC[N@@H+](CCC#N)CCOC)cn1 ZINC000616016009 349243908 /nfs/dbraw/zinc/24/39/08/349243908.db2.gz LIBOJGKQCMNGCU-UHFFFAOYSA-N 1 2 250.346 1.308 20 30 CDEDLO CCn1cc(CC[N@H+](CCC#N)CCOC)cn1 ZINC000616016009 349243911 /nfs/dbraw/zinc/24/39/11/349243911.db2.gz LIBOJGKQCMNGCU-UHFFFAOYSA-N 1 2 250.346 1.308 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)n1cc(C[N@H+](C)CCO)nn1 ZINC000603232517 350231634 /nfs/dbraw/zinc/23/16/34/350231634.db2.gz GDHBFFYJNZZAPI-GFCCVEGCSA-N 1 2 285.351 1.183 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)n1cc(C[N@@H+](C)CCO)nn1 ZINC000603232517 350231635 /nfs/dbraw/zinc/23/16/35/350231635.db2.gz GDHBFFYJNZZAPI-GFCCVEGCSA-N 1 2 285.351 1.183 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620650833 350302331 /nfs/dbraw/zinc/30/23/31/350302331.db2.gz DYHHCSFKMKYSRS-CQSZACIVSA-N 1 2 259.309 1.908 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000622084009 350982242 /nfs/dbraw/zinc/98/22/42/350982242.db2.gz PSNLDCJBFNREPV-MFKMUULPSA-N 1 2 251.330 1.407 20 30 CDEDLO C=C1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000264430673 363062610 /nfs/dbraw/zinc/06/26/10/363062610.db2.gz CFWXRKSQLAXAGV-UHFFFAOYSA-N 1 2 260.341 1.294 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ccccc2OCC)CC1 ZINC000052001343 363108308 /nfs/dbraw/zinc/10/83/08/363108308.db2.gz NDSULBNSTKPTAN-UHFFFAOYSA-N 1 2 272.348 1.476 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000573868635 334973390 /nfs/dbraw/zinc/97/33/90/334973390.db2.gz JNJVYXIEGNAFLG-CQSZACIVSA-N 1 2 290.323 1.097 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](CO)C1 ZINC000047865707 363204427 /nfs/dbraw/zinc/20/44/27/363204427.db2.gz LGCWTRPNQYFZKD-JTQLQIEISA-N 1 2 279.365 1.263 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](CO)C1 ZINC000047865707 363204433 /nfs/dbraw/zinc/20/44/33/363204433.db2.gz LGCWTRPNQYFZKD-JTQLQIEISA-N 1 2 279.365 1.263 20 30 CDEDLO Cn1nccc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000155255058 188193954 /nfs/dbraw/zinc/19/39/54/188193954.db2.gz XIEFLJWFUPGGFH-QGZVFWFLSA-N 1 2 295.390 1.803 20 30 CDEDLO C[C@H](O)C[C@H]1COCC[N@@H+]1CCOc1ccccc1C#N ZINC000157149701 188300299 /nfs/dbraw/zinc/30/02/99/188300299.db2.gz HJEGGTDIVNFVHB-ZFWWWQNUSA-N 1 2 290.363 1.409 20 30 CDEDLO C[C@H](O)C[C@H]1COCC[N@H+]1CCOc1ccccc1C#N ZINC000157149701 188300301 /nfs/dbraw/zinc/30/03/01/188300301.db2.gz HJEGGTDIVNFVHB-ZFWWWQNUSA-N 1 2 290.363 1.409 20 30 CDEDLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000157189275 188301821 /nfs/dbraw/zinc/30/18/21/188301821.db2.gz PPRJGDKUYZSMKB-BXUZGUMPSA-N 1 2 278.327 1.669 20 30 CDEDLO C[C@@H](O)C[C@@H]1COCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000157189275 188301823 /nfs/dbraw/zinc/30/18/23/188301823.db2.gz PPRJGDKUYZSMKB-BXUZGUMPSA-N 1 2 278.327 1.669 20 30 CDEDLO C=CCOCCN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000292742140 198396613 /nfs/dbraw/zinc/39/66/13/198396613.db2.gz HLNJCKYNMKOIGD-HNNXBMFYSA-N 1 2 275.396 1.963 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000355498002 366106312 /nfs/dbraw/zinc/10/63/12/366106312.db2.gz YMIQVTANGYWEGE-UMVBOHGHSA-N 1 2 281.400 1.494 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N(C)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000355498001 366106399 /nfs/dbraw/zinc/10/63/99/366106399.db2.gz YMIQVTANGYWEGE-KCQAQPDRSA-N 1 2 281.400 1.494 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000583909642 355889533 /nfs/dbraw/zinc/88/95/33/355889533.db2.gz DWZZNCUVMNNVEU-AWEZNQCLSA-N 1 2 273.336 1.338 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000583909642 355889540 /nfs/dbraw/zinc/88/95/40/355889540.db2.gz DWZZNCUVMNNVEU-AWEZNQCLSA-N 1 2 273.336 1.338 20 30 CDEDLO N#Cc1ncn(CCNc2cc(C(F)(F)F)cc[nH+]2)n1 ZINC000286215327 356232268 /nfs/dbraw/zinc/23/22/68/356232268.db2.gz BVDBCZGDGCCBMF-UHFFFAOYSA-N 1 2 282.229 1.676 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000342769377 356180160 /nfs/dbraw/zinc/18/01/60/356180160.db2.gz QVFRLWGUFXWQEX-UHFFFAOYSA-N 1 2 257.253 1.826 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)N(C)CCC#N ZINC000034651340 356390631 /nfs/dbraw/zinc/39/06/31/356390631.db2.gz RYFWMRAARBOMMD-UHFFFAOYSA-N 1 2 256.309 1.717 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328741992 202036621 /nfs/dbraw/zinc/03/66/21/202036621.db2.gz MPEZKTHUIAJBPQ-OKILXGFUSA-N 1 2 274.320 1.166 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328741992 202036623 /nfs/dbraw/zinc/03/66/23/202036623.db2.gz MPEZKTHUIAJBPQ-OKILXGFUSA-N 1 2 274.320 1.166 20 30 CDEDLO C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CCCOC1)[NH+]1CCOCC1 ZINC000329522591 538579231 /nfs/dbraw/zinc/57/92/31/538579231.db2.gz REYNAJYHVYJNEG-MELADBBJSA-N 1 2 299.415 1.026 20 30 CDEDLO N#Cc1ccncc1C(=O)NCCCNc1cccc[nH+]1 ZINC000362803834 283226167 /nfs/dbraw/zinc/22/61/67/283226167.db2.gz ASCYYNGMSSBGKD-UHFFFAOYSA-N 1 2 281.319 1.580 20 30 CDEDLO C=CCCN(C)C(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000298550085 356886979 /nfs/dbraw/zinc/88/69/79/356886979.db2.gz CFULOTIJDPMADX-GFCCVEGCSA-N 1 2 290.367 1.498 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNc1cccnc1C#N ZINC000290698672 357286934 /nfs/dbraw/zinc/28/69/34/357286934.db2.gz VQINIDJMCZFLMA-UHFFFAOYSA-N 1 2 260.341 1.476 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNc1cccnc1C#N ZINC000290698672 357286937 /nfs/dbraw/zinc/28/69/37/357286937.db2.gz VQINIDJMCZFLMA-UHFFFAOYSA-N 1 2 260.341 1.476 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C[C@H](C#N)CCC#N)C1 ZINC000568408828 357337571 /nfs/dbraw/zinc/33/75/71/357337571.db2.gz ABUYYSKWQYPXGV-STQMWFEESA-N 1 2 257.341 1.653 20 30 CDEDLO N#Cc1ccc(C[N@H+]2C[C@H](F)C[C@H]2CO)cc1F ZINC000334710634 357622358 /nfs/dbraw/zinc/62/23/58/357622358.db2.gz UBXGWUUTHYSTJS-NEPJUHHUSA-N 1 2 252.264 1.602 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)cc1F ZINC000334710634 357622362 /nfs/dbraw/zinc/62/23/62/357622362.db2.gz UBXGWUUTHYSTJS-NEPJUHHUSA-N 1 2 252.264 1.602 20 30 CDEDLO COC(=O)C[C@@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000187693358 357796089 /nfs/dbraw/zinc/79/60/89/357796089.db2.gz PKVZACPIEBSXHH-SWLSCSKDSA-N 1 2 288.347 1.883 20 30 CDEDLO COC(=O)C[C@@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000187693358 357796093 /nfs/dbraw/zinc/79/60/93/357796093.db2.gz PKVZACPIEBSXHH-SWLSCSKDSA-N 1 2 288.347 1.883 20 30 CDEDLO C[C@H](O)CNc1cc(N(C)Cc2ccc(C#N)cc2)nc[nH+]1 ZINC000294407854 199028640 /nfs/dbraw/zinc/02/86/40/199028640.db2.gz NQYYKHQGONWVPD-LBPRGKRZSA-N 1 2 297.362 1.777 20 30 CDEDLO C[C@H](O)CNc1cc(N(C)Cc2ccc(C#N)cc2)[nH+]cn1 ZINC000294407854 199028642 /nfs/dbraw/zinc/02/86/42/199028642.db2.gz NQYYKHQGONWVPD-LBPRGKRZSA-N 1 2 297.362 1.777 20 30 CDEDLO N#Cc1ccc(CN2CCC[C@H]([NH+]3CCOCC3)C2)nc1 ZINC000566627933 358225688 /nfs/dbraw/zinc/22/56/88/358225688.db2.gz BXOVAJHFNRSQKQ-INIZCTEOSA-N 1 2 286.379 1.250 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)c1ccc(C#N)s1)[NH+]1CCOCC1 ZINC000487306537 366427607 /nfs/dbraw/zinc/42/76/07/366427607.db2.gz OSCYAFPRVBBCDN-WDEREUQCSA-N 1 2 293.392 1.459 20 30 CDEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCOC[C@@H]2C2CCC2)c1 ZINC000567046494 358622726 /nfs/dbraw/zinc/62/27/26/358622726.db2.gz DOOXGNVWJZOUQP-MRXNPFEDSA-N 1 2 299.374 1.998 20 30 CDEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCOC[C@@H]2C2CCC2)c1 ZINC000567046494 358622733 /nfs/dbraw/zinc/62/27/33/358622733.db2.gz DOOXGNVWJZOUQP-MRXNPFEDSA-N 1 2 299.374 1.998 20 30 CDEDLO C=CC[N@H+](C/C=C\c1ccncc1)[C@H]1CCS(=O)(=O)C1 ZINC000495164181 366518886 /nfs/dbraw/zinc/51/88/86/366518886.db2.gz MZAWLHSPTDBSDY-JZIMQPMSSA-N 1 2 292.404 1.770 20 30 CDEDLO C=CC[N@@H+](C/C=C\c1ccncc1)[C@H]1CCS(=O)(=O)C1 ZINC000495164181 366518890 /nfs/dbraw/zinc/51/88/90/366518890.db2.gz MZAWLHSPTDBSDY-JZIMQPMSSA-N 1 2 292.404 1.770 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000338133421 359033736 /nfs/dbraw/zinc/03/37/36/359033736.db2.gz XRWKKMQOWHDYHQ-HNNXBMFYSA-N 1 2 299.374 1.413 20 30 CDEDLO Cc1nsc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1C#N ZINC000287925196 359138993 /nfs/dbraw/zinc/13/89/93/359138993.db2.gz PFFXQONTBRYIDA-KOLCDFICSA-N 1 2 280.397 1.844 20 30 CDEDLO O=C(C#Cc1ccccc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000266955796 359348110 /nfs/dbraw/zinc/34/81/10/359348110.db2.gz JUBDFZGSBQVNJG-UHFFFAOYSA-N 1 2 294.354 1.976 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000267317166 359351897 /nfs/dbraw/zinc/35/18/97/359351897.db2.gz NTKXDAODQWVEFF-ZDUSSCGKSA-N 1 2 256.349 1.919 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000267317166 359351900 /nfs/dbraw/zinc/35/19/00/359351900.db2.gz NTKXDAODQWVEFF-ZDUSSCGKSA-N 1 2 256.349 1.919 20 30 CDEDLO C#CC[C@H](NC(=O)NCCn1cc[nH+]c1)c1ccccc1 ZINC000270148556 359390114 /nfs/dbraw/zinc/39/01/14/359390114.db2.gz ULORSKCZKKLZSG-HNNXBMFYSA-N 1 2 282.347 1.947 20 30 CDEDLO C=CCN(C)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000274976243 359523291 /nfs/dbraw/zinc/52/32/91/359523291.db2.gz DGKHITWPKGCDOU-UHFFFAOYSA-N 1 2 258.325 1.970 20 30 CDEDLO N#Cc1cccc(C[NH+]2CC(NC(=O)C3CC3)C2)c1 ZINC000297337269 200152930 /nfs/dbraw/zinc/15/29/30/200152930.db2.gz FKRXUMZEBBGAKO-UHFFFAOYSA-N 1 2 255.321 1.269 20 30 CDEDLO CC[C@@]1(C)C[N@H+](CC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000135738454 359985713 /nfs/dbraw/zinc/98/57/13/359985713.db2.gz KHCSJKCNZPZGSA-INIZCTEOSA-N 1 2 287.363 1.998 20 30 CDEDLO CC[C@@]1(C)C[N@@H+](CC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000135738454 359985717 /nfs/dbraw/zinc/98/57/17/359985717.db2.gz KHCSJKCNZPZGSA-INIZCTEOSA-N 1 2 287.363 1.998 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cccc(OCC)n2)C1=O ZINC000337223783 360036151 /nfs/dbraw/zinc/03/61/51/360036151.db2.gz MYOCFFFQODFFKU-CQSZACIVSA-N 1 2 289.379 1.699 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cccc(OCC)n2)C1=O ZINC000337223783 360036155 /nfs/dbraw/zinc/03/61/55/360036155.db2.gz MYOCFFFQODFFKU-CQSZACIVSA-N 1 2 289.379 1.699 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000537119990 360240238 /nfs/dbraw/zinc/24/02/38/360240238.db2.gz RGZOBJCGJPPPSO-ZDUSSCGKSA-N 1 2 287.363 1.486 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000245711105 360738202 /nfs/dbraw/zinc/73/82/02/360738202.db2.gz PCADODHXQCXXJZ-WDEREUQCSA-N 1 2 293.333 1.246 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000245711105 360738209 /nfs/dbraw/zinc/73/82/09/360738209.db2.gz PCADODHXQCXXJZ-WDEREUQCSA-N 1 2 293.333 1.246 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)NCC#Cc1cccc(F)c1 ZINC000338240725 360789354 /nfs/dbraw/zinc/78/93/54/360789354.db2.gz VKMMYCZZXNSCQI-UHFFFAOYSA-N 1 2 285.322 1.660 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)NCC#Cc1ccccc1 ZINC000431780236 361047424 /nfs/dbraw/zinc/04/74/24/361047424.db2.gz XOVOLICLHUZFBF-UHFFFAOYSA-N 1 2 295.342 1.941 20 30 CDEDLO Cc1cc(=NC(=O)Nc2cc(C)[nH+]cc2C)[nH]n1CCC#N ZINC000527334851 361248684 /nfs/dbraw/zinc/24/86/84/361248684.db2.gz VXRGTLDZAOZMHD-UHFFFAOYSA-N 1 2 298.350 1.605 20 30 CDEDLO C[C@H](C(=O)NCC(F)(F)F)[N@H+](C)CC(C)(C)C#N ZINC000433294793 361228854 /nfs/dbraw/zinc/22/88/54/361228854.db2.gz AXKMJGWVZZKZQD-MRVPVSSYSA-N 1 2 265.279 1.535 20 30 CDEDLO C[C@H](C(=O)NCC(F)(F)F)[N@@H+](C)CC(C)(C)C#N ZINC000433294793 361228856 /nfs/dbraw/zinc/22/88/56/361228856.db2.gz AXKMJGWVZZKZQD-MRVPVSSYSA-N 1 2 265.279 1.535 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1cccnc1 ZINC000132507894 361242753 /nfs/dbraw/zinc/24/27/53/361242753.db2.gz DTMWCMASHPBBEQ-UHFFFAOYSA-N 1 2 260.341 1.276 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1cccnc1 ZINC000132507894 361242758 /nfs/dbraw/zinc/24/27/58/361242758.db2.gz DTMWCMASHPBBEQ-UHFFFAOYSA-N 1 2 260.341 1.276 20 30 CDEDLO C=CCN(CCOC)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000566304248 370679083 /nfs/dbraw/zinc/67/90/83/370679083.db2.gz MMQPYOKJPQQZNV-GFCCVEGCSA-N 1 2 251.330 1.495 20 30 CDEDLO Cc1ccc(NC(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c(C)[nH+]1 ZINC000329588375 361556237 /nfs/dbraw/zinc/55/62/37/361556237.db2.gz XPVXKUVQJSIMPT-OUCADQQQSA-N 1 2 275.352 1.947 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(F)cc(F)c1 ZINC000574892820 361647359 /nfs/dbraw/zinc/64/73/59/361647359.db2.gz DIKMTNDGBROXPX-CYBMUJFWSA-N 1 2 267.279 1.538 20 30 CDEDLO C[C@@H]1C[C@H](NC(=O)CNc2cccc(C#N)c2)c2[nH+]ccn21 ZINC000456435133 364369978 /nfs/dbraw/zinc/36/99/78/364369978.db2.gz VJFVOLNHDFELTB-RISCZKNCSA-N 1 2 295.346 1.989 20 30 CDEDLO C=CCCOCC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000640724588 364536242 /nfs/dbraw/zinc/53/62/42/364536242.db2.gz APMTXVPHPQIERW-LBPRGKRZSA-N 1 2 251.330 1.816 20 30 CDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H](CO)O1 ZINC000249378314 364598938 /nfs/dbraw/zinc/59/89/38/364598938.db2.gz PZXOPJVVIXDICF-UWVGGRQHSA-N 1 2 252.339 1.201 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H](CO)O1 ZINC000249378314 364598940 /nfs/dbraw/zinc/59/89/40/364598940.db2.gz PZXOPJVVIXDICF-UWVGGRQHSA-N 1 2 252.339 1.201 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cocn3)CC2)cc1 ZINC000264273928 364863735 /nfs/dbraw/zinc/86/37/35/364863735.db2.gz MJLHCCBLOOWVEM-UHFFFAOYSA-N 1 2 296.330 1.504 20 30 CDEDLO C[C@H]1C[C@H](O)C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000340951004 364928138 /nfs/dbraw/zinc/92/81/38/364928138.db2.gz IAHIIAJPJIRAKQ-WPRPVWTQSA-N 1 2 265.338 1.013 20 30 CDEDLO C[C@H]1C[C@H](O)C[N@H+]1CC(=O)Nc1sccc1C#N ZINC000340951004 364928143 /nfs/dbraw/zinc/92/81/43/364928143.db2.gz IAHIIAJPJIRAKQ-WPRPVWTQSA-N 1 2 265.338 1.013 20 30 CDEDLO N#CCCCCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000171592820 365325561 /nfs/dbraw/zinc/32/55/61/365325561.db2.gz QRQCBBKEUBKETI-UHFFFAOYSA-N 1 2 269.308 1.691 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCCN(C(N)=O)CC2)c(F)c1 ZINC000102178219 370847751 /nfs/dbraw/zinc/84/77/51/370847751.db2.gz YJZUTBWSSVXKPO-UHFFFAOYSA-N 1 2 276.315 1.284 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(N)=O)CC2)c(F)c1 ZINC000102178219 370847753 /nfs/dbraw/zinc/84/77/53/370847753.db2.gz YJZUTBWSSVXKPO-UHFFFAOYSA-N 1 2 276.315 1.284 20 30 CDEDLO CC(C)N1CC[N@H+](Cc2ccc(C#N)cc2)CC1=O ZINC000272558394 367768594 /nfs/dbraw/zinc/76/85/94/367768594.db2.gz LJHSRMRWFZTLQR-UHFFFAOYSA-N 1 2 257.337 1.611 20 30 CDEDLO CC(C)N1CC[N@@H+](Cc2ccc(C#N)cc2)CC1=O ZINC000272558394 367768600 /nfs/dbraw/zinc/76/86/00/367768600.db2.gz LJHSRMRWFZTLQR-UHFFFAOYSA-N 1 2 257.337 1.611 20 30 CDEDLO N#CCC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000358643929 367838531 /nfs/dbraw/zinc/83/85/31/367838531.db2.gz GBTYLIQZJDXVBL-UHFFFAOYSA-N 1 2 254.293 1.461 20 30 CDEDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000530335527 368170719 /nfs/dbraw/zinc/17/07/19/368170719.db2.gz FDZFADYRXHYCOB-GFCCVEGCSA-N 1 2 289.383 1.193 20 30 CDEDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000530335527 368170726 /nfs/dbraw/zinc/17/07/26/368170726.db2.gz FDZFADYRXHYCOB-GFCCVEGCSA-N 1 2 289.383 1.193 20 30 CDEDLO C[C@@H]1C[NH+](CCOc2cccc(C#N)c2)C[C@@H](C)S1=O ZINC000331141223 203569969 /nfs/dbraw/zinc/56/99/69/203569969.db2.gz FGDSTRMIEJUKNN-CHWSQXEVSA-N 1 2 292.404 1.778 20 30 CDEDLO C=CCCC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000371522352 370298995 /nfs/dbraw/zinc/29/89/95/370298995.db2.gz AUKFSKYOHKMRFV-UHFFFAOYSA-N 1 2 256.309 1.850 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)CC[S@]1=O ZINC000277449626 193657564 /nfs/dbraw/zinc/65/75/64/193657564.db2.gz JVFCXTRSXZDJKA-ADLMAVQZSA-N 1 2 265.382 1.240 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)CC[S@]1=O ZINC000277449626 193657566 /nfs/dbraw/zinc/65/75/66/193657566.db2.gz JVFCXTRSXZDJKA-ADLMAVQZSA-N 1 2 265.382 1.240 20 30 CDEDLO N#CC[N@@H+](CCC(=O)N1CCOCC1)C1CCCC1 ZINC000156706965 371083963 /nfs/dbraw/zinc/08/39/63/371083963.db2.gz ZTOPSGRQNLDHHQ-UHFFFAOYSA-N 1 2 265.357 1.003 20 30 CDEDLO N#CC[N@H+](CCC(=O)N1CCOCC1)C1CCCC1 ZINC000156706965 371083969 /nfs/dbraw/zinc/08/39/69/371083969.db2.gz ZTOPSGRQNLDHHQ-UHFFFAOYSA-N 1 2 265.357 1.003 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000573614622 371599199 /nfs/dbraw/zinc/59/91/99/371599199.db2.gz LVQORJLPQKFSSH-FMKPAKJESA-N 1 2 289.354 1.889 20 30 CDEDLO COC(=O)CC1CC[NH+](CC(=O)Nc2nncs2)CC1 ZINC000048840048 372895962 /nfs/dbraw/zinc/89/59/62/372895962.db2.gz AHQVBAADQQDCRQ-UHFFFAOYSA-N 1 2 298.368 1.401 20 30 CDEDLO COC(=O)[C@H]([NH2+]CCOc1ccccc1C#N)C(C)C ZINC000547299308 373334676 /nfs/dbraw/zinc/33/46/76/373334676.db2.gz CFVKPVCSUJNRFE-CQSZACIVSA-N 1 2 276.336 1.724 20 30 CDEDLO C=CC[N@@H+](CCOC)[C@H](C)c1nc(COC)no1 ZINC000191122752 373454135 /nfs/dbraw/zinc/45/41/35/373454135.db2.gz YFBCUFVHSOYZGC-SNVBAGLBSA-N 1 2 255.318 1.411 20 30 CDEDLO C=CC[N@H+](CCOC)[C@H](C)c1nc(COC)no1 ZINC000191122752 373454145 /nfs/dbraw/zinc/45/41/45/373454145.db2.gz YFBCUFVHSOYZGC-SNVBAGLBSA-N 1 2 255.318 1.411 20 30 CDEDLO COC(=O)COc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000341196211 373463731 /nfs/dbraw/zinc/46/37/31/373463731.db2.gz WMRFARDKUWJTOP-GFCCVEGCSA-N 1 2 276.336 1.830 20 30 CDEDLO COC(=O)COc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000341196211 373463736 /nfs/dbraw/zinc/46/37/36/373463736.db2.gz WMRFARDKUWJTOP-GFCCVEGCSA-N 1 2 276.336 1.830 20 30 CDEDLO CCOC(=O)[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)[C@H](C)CC ZINC000191543901 373516995 /nfs/dbraw/zinc/51/69/95/373516995.db2.gz VSNNOAAAILVRAV-RISCZKNCSA-N 1 2 277.368 1.964 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000341492661 373707275 /nfs/dbraw/zinc/70/72/75/373707275.db2.gz MCTXUDJSRSKADG-UONOGXRCSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000341492661 373707287 /nfs/dbraw/zinc/70/72/87/373707287.db2.gz MCTXUDJSRSKADG-UONOGXRCSA-N 1 2 283.416 1.751 20 30 CDEDLO N#Cc1csc(C[N@@H+](CCO)[C@H]2CCCSC2)n1 ZINC000356399899 373843546 /nfs/dbraw/zinc/84/35/46/373843546.db2.gz UONNNWOHFBMKNM-NSHDSACASA-N 1 2 283.422 1.705 20 30 CDEDLO N#Cc1csc(C[N@H+](CCO)[C@H]2CCCSC2)n1 ZINC000356399899 373843550 /nfs/dbraw/zinc/84/35/50/373843550.db2.gz UONNNWOHFBMKNM-NSHDSACASA-N 1 2 283.422 1.705 20 30 CDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(O)CC1 ZINC000298736271 373865958 /nfs/dbraw/zinc/86/59/58/373865958.db2.gz PLKFLRSJZKWGOV-UHFFFAOYSA-N 1 2 293.754 1.607 20 30 CDEDLO C[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])cc2C#N)CCO1 ZINC000522275328 374255645 /nfs/dbraw/zinc/25/56/45/374255645.db2.gz LDGCMLYQLYRKHJ-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2C#N)CCO1 ZINC000522275328 374255652 /nfs/dbraw/zinc/25/56/52/374255652.db2.gz LDGCMLYQLYRKHJ-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[S@](=O)CC[C@H]1C ZINC000370203810 374383190 /nfs/dbraw/zinc/38/31/90/374383190.db2.gz KLRPUSQJJCLTQF-MPBGBICISA-N 1 2 292.404 1.910 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[S@](=O)CC[C@H]1C ZINC000370203810 374383195 /nfs/dbraw/zinc/38/31/95/374383195.db2.gz KLRPUSQJJCLTQF-MPBGBICISA-N 1 2 292.404 1.910 20 30 CDEDLO C[N@H+](CCC(F)(F)F)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115537494 374412820 /nfs/dbraw/zinc/41/28/20/374412820.db2.gz ZNNIGCBHNOCYNP-LLVKDONJSA-N 1 2 285.269 1.969 20 30 CDEDLO C[N@@H+](CCC(F)(F)F)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115537494 374412824 /nfs/dbraw/zinc/41/28/24/374412824.db2.gz ZNNIGCBHNOCYNP-LLVKDONJSA-N 1 2 285.269 1.969 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NC(=O)CC#N)c1ccccc1F ZINC000041569337 374749667 /nfs/dbraw/zinc/74/96/67/374749667.db2.gz FSUYOBUXEXFBNI-CYBMUJFWSA-N 1 2 272.283 1.678 20 30 CDEDLO Cc1cccc2nc(C[N@@H+](C)[C@@H](C)CC#N)cc(=O)n12 ZINC000123809686 374725949 /nfs/dbraw/zinc/72/59/49/374725949.db2.gz BHCZVEJTZSAPDH-NSHDSACASA-N 1 2 270.336 1.737 20 30 CDEDLO Cc1cccc2nc(C[N@H+](C)[C@@H](C)CC#N)cc(=O)n12 ZINC000123809686 374725952 /nfs/dbraw/zinc/72/59/52/374725952.db2.gz BHCZVEJTZSAPDH-NSHDSACASA-N 1 2 270.336 1.737 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000125878842 375060938 /nfs/dbraw/zinc/06/09/38/375060938.db2.gz MWHHLPSLPMCCFV-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cc(C#N)c[nH]3)n2)C1 ZINC000227113864 375446324 /nfs/dbraw/zinc/44/63/24/375446324.db2.gz VUTQPPYDZLXLSV-LBPRGKRZSA-N 1 2 287.323 1.718 20 30 CDEDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cc(C#N)c[nH]3)n2)C1 ZINC000227113864 375446327 /nfs/dbraw/zinc/44/63/27/375446327.db2.gz VUTQPPYDZLXLSV-LBPRGKRZSA-N 1 2 287.323 1.718 20 30 CDEDLO N#Cc1cccc(OCC[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)c1 ZINC000132331881 375453910 /nfs/dbraw/zinc/45/39/10/375453910.db2.gz VUJDKBJWGQODEQ-CVEARBPZSA-N 1 2 299.374 1.680 20 30 CDEDLO N#Cc1cccc(OCC[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)c1 ZINC000132331881 375453917 /nfs/dbraw/zinc/45/39/17/375453917.db2.gz VUJDKBJWGQODEQ-CVEARBPZSA-N 1 2 299.374 1.680 20 30 CDEDLO C[C@H](O)[C@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000162754398 375507180 /nfs/dbraw/zinc/50/71/80/375507180.db2.gz YGZIRODCQOGIIT-ONGXEEELSA-N 1 2 279.365 1.261 20 30 CDEDLO C[C@H](O)[C@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000162754398 375507184 /nfs/dbraw/zinc/50/71/84/375507184.db2.gz YGZIRODCQOGIIT-ONGXEEELSA-N 1 2 279.365 1.261 20 30 CDEDLO C=CCn1cc(CNc2cc(NC3CC3)[nH+]cn2)nn1 ZINC000425265588 375547892 /nfs/dbraw/zinc/54/78/92/375547892.db2.gz WJTTUXUDMFJNIY-UHFFFAOYSA-N 1 2 271.328 1.441 20 30 CDEDLO C=CCn1cc(CNc2cc(NC3CC3)nc[nH+]2)nn1 ZINC000425265588 375547897 /nfs/dbraw/zinc/54/78/97/375547897.db2.gz WJTTUXUDMFJNIY-UHFFFAOYSA-N 1 2 271.328 1.441 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCOCC12CCC2 ZINC000135524382 375712477 /nfs/dbraw/zinc/71/24/77/375712477.db2.gz YXGOLZOXIACHBV-UHFFFAOYSA-N 1 2 265.357 1.003 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCOCC12CCC2 ZINC000135524382 375712483 /nfs/dbraw/zinc/71/24/83/375712483.db2.gz YXGOLZOXIACHBV-UHFFFAOYSA-N 1 2 265.357 1.003 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000160117193 375733953 /nfs/dbraw/zinc/73/39/53/375733953.db2.gz UQYDDAYDYQIZOI-OAHLLOKOSA-N 1 2 287.363 1.523 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCNC(=O)[C@H]1C(C)C ZINC000160117193 375733958 /nfs/dbraw/zinc/73/39/58/375733958.db2.gz UQYDDAYDYQIZOI-OAHLLOKOSA-N 1 2 287.363 1.523 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1cccc(C#N)c1 ZINC000045959714 375792377 /nfs/dbraw/zinc/79/23/77/375792377.db2.gz BJCJREGWSNQCDC-LBPRGKRZSA-N 1 2 288.351 1.400 20 30 CDEDLO CN(C(=O)NCC[N@@H+]1CCOCC1(C)C)C1CCOCC1 ZINC000328773342 375952552 /nfs/dbraw/zinc/95/25/52/375952552.db2.gz DRJGRVGPZQFKRN-UHFFFAOYSA-N 1 2 299.415 1.122 20 30 CDEDLO CN(C(=O)NCC[N@H+]1CCOCC1(C)C)C1CCOCC1 ZINC000328773342 375952558 /nfs/dbraw/zinc/95/25/58/375952558.db2.gz DRJGRVGPZQFKRN-UHFFFAOYSA-N 1 2 299.415 1.122 20 30 CDEDLO C=CCCn1cc(CNc2cc(C)[nH+]c(C3CC3)n2)nn1 ZINC000631312373 376091248 /nfs/dbraw/zinc/09/12/48/376091248.db2.gz AQUFFYZUADUXSE-UHFFFAOYSA-N 1 2 284.367 1.864 20 30 CDEDLO CC(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000420950112 376498214 /nfs/dbraw/zinc/49/82/14/376498214.db2.gz GBOAWLIICUCUEP-AWEZNQCLSA-N 1 2 276.767 1.902 20 30 CDEDLO CC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000420950112 376498224 /nfs/dbraw/zinc/49/82/24/376498224.db2.gz GBOAWLIICUCUEP-AWEZNQCLSA-N 1 2 276.767 1.902 20 30 CDEDLO CCCNC(=O)NC(=O)C[N@H+](CCC#N)CCC(C)C ZINC000072691984 376803973 /nfs/dbraw/zinc/80/39/73/376803973.db2.gz COSFBFQGNANRRK-UHFFFAOYSA-N 1 2 282.388 1.484 20 30 CDEDLO CCCNC(=O)NC(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000072691984 376803977 /nfs/dbraw/zinc/80/39/77/376803977.db2.gz COSFBFQGNANRRK-UHFFFAOYSA-N 1 2 282.388 1.484 20 30 CDEDLO C=C1CC[NH+]([C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000264682565 190128827 /nfs/dbraw/zinc/12/88/27/190128827.db2.gz DCVZUUGFRIXYNV-JTQLQIEISA-N 1 2 262.275 1.802 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](F)C1 ZINC000334811532 377447341 /nfs/dbraw/zinc/44/73/41/377447341.db2.gz NCJIIWCYYMSBAG-NWDGAFQWSA-N 1 2 267.348 1.761 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](F)C1 ZINC000334811532 377447345 /nfs/dbraw/zinc/44/73/45/377447345.db2.gz NCJIIWCYYMSBAG-NWDGAFQWSA-N 1 2 267.348 1.761 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cccc(C(=O)N(C)C)c1 ZINC000076185957 377466218 /nfs/dbraw/zinc/46/62/18/377466218.db2.gz VYSKAVPRPHLRCX-UHFFFAOYSA-N 1 2 254.333 1.457 20 30 CDEDLO C=C(C)C[N@@H+](CC)Cc1nnnn1CC(F)(F)F ZINC000190805253 377928325 /nfs/dbraw/zinc/92/83/25/377928325.db2.gz CZROOJMLZYKBOA-UHFFFAOYSA-N 1 2 263.267 1.633 20 30 CDEDLO C=C(C)C[N@H+](CC)Cc1nnnn1CC(F)(F)F ZINC000190805253 377928330 /nfs/dbraw/zinc/92/83/30/377928330.db2.gz CZROOJMLZYKBOA-UHFFFAOYSA-N 1 2 263.267 1.633 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000280015817 377934293 /nfs/dbraw/zinc/93/42/93/377934293.db2.gz MBSSOXPJVXOICL-AWEZNQCLSA-N 1 2 295.379 1.696 20 30 CDEDLO C#CC[N@H+](Cc1ccc(F)cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000280015817 377934296 /nfs/dbraw/zinc/93/42/96/377934296.db2.gz MBSSOXPJVXOICL-AWEZNQCLSA-N 1 2 295.379 1.696 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2C)CC1 ZINC000283669594 378125026 /nfs/dbraw/zinc/12/50/26/378125026.db2.gz ZITYYVSZZPILAN-UHFFFAOYSA-N 1 2 285.351 1.139 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000290480687 378380053 /nfs/dbraw/zinc/38/00/53/378380053.db2.gz NSRQXDZPBSWLNL-FZMZJTMJSA-N 1 2 263.341 1.443 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H](C)c1ccccc1OC ZINC000293027760 378545665 /nfs/dbraw/zinc/54/56/65/378545665.db2.gz FZRHXRYRUYXWIC-ZDUSSCGKSA-N 1 2 274.364 1.828 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N[C@@H](C)c1ccccc1OC ZINC000293027760 378545672 /nfs/dbraw/zinc/54/56/72/378545672.db2.gz FZRHXRYRUYXWIC-ZDUSSCGKSA-N 1 2 274.364 1.828 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1scnc1C ZINC000066565696 378679586 /nfs/dbraw/zinc/67/95/86/378679586.db2.gz HXAFGVURQYKKAH-JTQLQIEISA-N 1 2 296.396 1.284 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1scnc1C ZINC000066565696 378679588 /nfs/dbraw/zinc/67/95/88/378679588.db2.gz HXAFGVURQYKKAH-JTQLQIEISA-N 1 2 296.396 1.284 20 30 CDEDLO C#CCO[C@H](C)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000294826850 378651890 /nfs/dbraw/zinc/65/18/90/378651890.db2.gz WVEBJLDCAQEYIQ-CYBMUJFWSA-N 1 2 290.363 1.704 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000278621299 194072656 /nfs/dbraw/zinc/07/26/56/194072656.db2.gz MLBAVKGJKIQIOR-INIZCTEOSA-N 1 2 289.379 1.625 20 30 CDEDLO Cc1ccnc(N(C)[C@@H](C)C[NH+]2CCOCC2)c1C#N ZINC000278881686 194195069 /nfs/dbraw/zinc/19/50/69/194195069.db2.gz ORWAPGSCYFETGU-ZDUSSCGKSA-N 1 2 274.368 1.419 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(C#N)cs1 ZINC000279249501 194352610 /nfs/dbraw/zinc/35/26/10/194352610.db2.gz GZLLOLLAXQPPQW-NSHDSACASA-N 1 2 293.392 1.412 20 30 CDEDLO N#Cc1ccnc(NCCCCNc2cccc[nH+]2)n1 ZINC000450303854 251215110 /nfs/dbraw/zinc/21/51/10/251215110.db2.gz JZRILNNCURHTAQ-UHFFFAOYSA-N 1 2 268.324 1.469 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)/C=C/c1cccc(C#N)c1 ZINC000491521980 253087536 /nfs/dbraw/zinc/08/75/36/253087536.db2.gz ZKOFFRGZAZVBFQ-VBROQKIQSA-N 1 2 299.374 1.408 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)/C=C/c1cccc(C#N)c1 ZINC000491521980 253087538 /nfs/dbraw/zinc/08/75/38/253087538.db2.gz ZKOFFRGZAZVBFQ-VBROQKIQSA-N 1 2 299.374 1.408 20 30 CDEDLO C[C@@H](C#N)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000347974227 533119786 /nfs/dbraw/zinc/11/97/86/533119786.db2.gz UVRSLQZCBIEHJQ-LBPRGKRZSA-N 1 2 273.336 1.617 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)CC#Cc2ccc(F)cc2)C1=O ZINC000281239257 195162239 /nfs/dbraw/zinc/16/22/39/195162239.db2.gz FZWSKGSDGZUDNG-INIZCTEOSA-N 1 2 286.350 1.896 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C1=O ZINC000281239257 195162242 /nfs/dbraw/zinc/16/22/42/195162242.db2.gz FZWSKGSDGZUDNG-INIZCTEOSA-N 1 2 286.350 1.896 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)OC)o2)C1=O ZINC000281311150 195192255 /nfs/dbraw/zinc/19/22/55/195192255.db2.gz QMHJMZZGBWWHOQ-GFCCVEGCSA-N 1 2 292.335 1.285 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)OC)o2)C1=O ZINC000281311150 195192258 /nfs/dbraw/zinc/19/22/58/195192258.db2.gz QMHJMZZGBWWHOQ-GFCCVEGCSA-N 1 2 292.335 1.285 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](CC(C)C)C(=O)OCC)C1=O ZINC000281377502 195217030 /nfs/dbraw/zinc/21/70/30/195217030.db2.gz OXRVAAKFSGWVGK-ZIAGYGMSSA-N 1 2 296.411 1.683 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](CC(C)C)C(=O)OCC)C1=O ZINC000281377502 195217032 /nfs/dbraw/zinc/21/70/32/195217032.db2.gz OXRVAAKFSGWVGK-ZIAGYGMSSA-N 1 2 296.411 1.683 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(C#N)s2)C1=O ZINC000281416485 195232900 /nfs/dbraw/zinc/23/29/00/195232900.db2.gz YRIPBFCGMRPVQT-ZDUSSCGKSA-N 1 2 275.377 1.838 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C1=O ZINC000281416485 195232902 /nfs/dbraw/zinc/23/29/02/195232902.db2.gz YRIPBFCGMRPVQT-ZDUSSCGKSA-N 1 2 275.377 1.838 20 30 CDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](F)C2)cc1 ZINC000451183299 390603493 /nfs/dbraw/zinc/60/34/93/390603493.db2.gz IRURFCAFFBXVET-CYBMUJFWSA-N 1 2 261.300 1.218 20 30 CDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](F)C2)cc1 ZINC000451183299 390603496 /nfs/dbraw/zinc/60/34/96/390603496.db2.gz IRURFCAFFBXVET-CYBMUJFWSA-N 1 2 261.300 1.218 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247339683 390609415 /nfs/dbraw/zinc/60/94/15/390609415.db2.gz NLWZKFKYRMHTOV-HZPDHXFCSA-N 1 2 272.348 1.938 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247339683 390609420 /nfs/dbraw/zinc/60/94/20/390609420.db2.gz NLWZKFKYRMHTOV-HZPDHXFCSA-N 1 2 272.348 1.938 20 30 CDEDLO Oc1ccc(/C=N/[C@H]2CCN(c3cccc[nH+]3)C2)c(O)c1O ZINC000133118835 390934712 /nfs/dbraw/zinc/93/47/12/390934712.db2.gz IIDIBCMQAXZDMR-BEAUZRKQSA-N 1 2 299.330 1.896 20 30 CDEDLO C=C[C@H](C)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000158797969 390936126 /nfs/dbraw/zinc/93/61/26/390936126.db2.gz GSQOXFGOIXPNKX-WCQYABFASA-N 1 2 261.325 1.819 20 30 CDEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000134962537 390939619 /nfs/dbraw/zinc/93/96/19/390939619.db2.gz HDFBXAXXBQKRCO-AWEZNQCLSA-N 1 2 298.390 1.981 20 30 CDEDLO Cc1cc(NCCN(C)CC(F)(F)F)c(C#N)c[nH+]1 ZINC000425228734 390896608 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/nfs/dbraw/zinc/15/16/97/391151697.db2.gz SODXKSWKMYZXAH-UHFFFAOYSA-N 1 2 292.335 1.210 20 30 CDEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](C#N)c2ccc(Cl)cc2)C1 ZINC000266826340 391181415 /nfs/dbraw/zinc/18/14/15/391181415.db2.gz JXDVHLFYIJMIRN-CHWSQXEVSA-N 1 2 293.754 1.351 20 30 CDEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@H](C#N)c2ccc(Cl)cc2)C1 ZINC000266826340 391181419 /nfs/dbraw/zinc/18/14/19/391181419.db2.gz JXDVHLFYIJMIRN-CHWSQXEVSA-N 1 2 293.754 1.351 20 30 CDEDLO C#CCNC(=O)[C@H](C)O[NH+]=C(N)Cc1ccccc1Cl ZINC000178148460 391181971 /nfs/dbraw/zinc/18/19/71/391181971.db2.gz RMMAIBKAJYXTKF-JTQLQIEISA-N 1 2 293.754 1.309 20 30 CDEDLO C#CCCCS(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000376317025 391222111 /nfs/dbraw/zinc/22/21/11/391222111.db2.gz REMCPTMRSSDWEO-LLVKDONJSA-N 1 2 267.354 1.290 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000491676569 391202687 /nfs/dbraw/zinc/20/26/87/391202687.db2.gz WQQCNCZYSONMAZ-NSHDSACASA-N 1 2 276.336 1.596 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000491676569 391202690 /nfs/dbraw/zinc/20/26/90/391202690.db2.gz WQQCNCZYSONMAZ-NSHDSACASA-N 1 2 276.336 1.596 20 30 CDEDLO C=C(C)C[N@H+](CC(=O)N1CCC1)Cc1ccc(CO)o1 ZINC000352871571 391268431 /nfs/dbraw/zinc/26/84/31/391268431.db2.gz BNYXAXWIGKFOJW-UHFFFAOYSA-N 1 2 278.352 1.382 20 30 CDEDLO C=C(C)C[N@@H+](CC(=O)N1CCC1)Cc1ccc(CO)o1 ZINC000352871571 391268435 /nfs/dbraw/zinc/26/84/35/391268435.db2.gz BNYXAXWIGKFOJW-UHFFFAOYSA-N 1 2 278.352 1.382 20 30 CDEDLO CC(C)N1CC[NH+]([C@H]2CCN(c3ccc(C#N)cn3)C2)CC1 ZINC000363919752 391281706 /nfs/dbraw/zinc/28/17/06/391281706.db2.gz JYQHTEQRHCRCFW-INIZCTEOSA-N 1 2 299.422 1.558 20 30 CDEDLO CC#CCCNC(=O)[C@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000346167391 391338975 /nfs/dbraw/zinc/33/89/75/391338975.db2.gz PDIRZADEDBAJBE-KGLIPLIRSA-N 1 2 271.364 1.684 20 30 CDEDLO COc1cccc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)c1F ZINC000330525403 391442994 /nfs/dbraw/zinc/44/29/94/391442994.db2.gz JQUSZDLNMWCUDP-LLVKDONJSA-N 1 2 296.342 1.860 20 30 CDEDLO COc1cccc(C(=O)NCC[N@H+]2CCOC[C@H]2C)c1F ZINC000330525403 391442997 /nfs/dbraw/zinc/44/29/97/391442997.db2.gz JQUSZDLNMWCUDP-LLVKDONJSA-N 1 2 296.342 1.860 20 30 CDEDLO CC1(C#N)CN(C(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000335735687 391552159 /nfs/dbraw/zinc/55/21/59/391552159.db2.gz XFVKGZMZBDBPJK-UHFFFAOYSA-N 1 2 271.311 1.336 20 30 CDEDLO C=CCN(CCC#N)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000359387297 391592585 /nfs/dbraw/zinc/59/25/85/391592585.db2.gz XZLIKSTWDPZOGS-GFCCVEGCSA-N 1 2 258.325 1.374 20 30 CDEDLO CCOCCO[C@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425232762 391651398 /nfs/dbraw/zinc/65/13/98/391651398.db2.gz FTJIMHKMJXORRU-AWEZNQCLSA-N 1 2 275.352 1.894 20 30 CDEDLO N#CCC1(CNC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000362319493 391718980 /nfs/dbraw/zinc/71/89/80/391718980.db2.gz NPNJYIMCKUASBF-UHFFFAOYSA-N 1 2 261.329 1.266 20 30 CDEDLO Cn1cc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c(C2CC2)n1 ZINC000329733565 391765691 /nfs/dbraw/zinc/76/56/91/391765691.db2.gz 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CO[C@H]1C[NH+](Cc2ccc(F)cc2C#N)C[C@@H]1OC ZINC000487963629 393357659 /nfs/dbraw/zinc/35/76/59/393357659.db2.gz RGLJGQYYPFDJOT-KBPBESRZSA-N 1 2 264.300 1.543 20 30 CDEDLO C[C@@H]1C[N@H+](CCOc2ccccc2C#N)C[C@@H](CO)O1 ZINC000229962608 140204366 /nfs/dbraw/zinc/20/43/66/140204366.db2.gz NKMRXWJFNTXQCA-OCCSQVGLSA-N 1 2 276.336 1.019 20 30 CDEDLO C[C@@H]1C[N@@H+](CCOc2ccccc2C#N)C[C@@H](CO)O1 ZINC000229962608 140204367 /nfs/dbraw/zinc/20/43/67/140204367.db2.gz NKMRXWJFNTXQCA-OCCSQVGLSA-N 1 2 276.336 1.019 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000230338632 140211342 /nfs/dbraw/zinc/21/13/42/140211342.db2.gz HTZHSECAEBAXRH-SECBINFHSA-N 1 2 297.405 1.135 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000230338632 140211343 /nfs/dbraw/zinc/21/13/43/140211343.db2.gz HTZHSECAEBAXRH-SECBINFHSA-N 1 2 297.405 1.135 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2ccc(OC)c(C#N)c2)C[C@H](C)O1 ZINC000251902688 140315435 /nfs/dbraw/zinc/31/54/35/140315435.db2.gz 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/nfs/dbraw/zinc/10/86/50/160108650.db2.gz ZXTURHSMRXMZLE-AWEZNQCLSA-N 1 2 274.320 1.495 20 30 CDEDLO COC(=O)CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000372342880 160108652 /nfs/dbraw/zinc/10/86/52/160108652.db2.gz ZXTURHSMRXMZLE-AWEZNQCLSA-N 1 2 274.320 1.495 20 30 CDEDLO Cn1cc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)cc1C#N ZINC000373821411 160230287 /nfs/dbraw/zinc/23/02/87/160230287.db2.gz LMNQYKJORFORAR-CABCVRRESA-N 1 2 287.363 1.467 20 30 CDEDLO Cn1cc(C[N@H+]2CCOC[C@H]2[C@H]2CCCC2=O)cc1C#N ZINC000373821411 160230288 /nfs/dbraw/zinc/23/02/88/160230288.db2.gz LMNQYKJORFORAR-CABCVRRESA-N 1 2 287.363 1.467 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000665168227 413914831 /nfs/dbraw/zinc/91/48/31/413914831.db2.gz NJRKTEQHSAFRAI-QGZVFWFLSA-N 1 2 285.343 1.746 20 30 CDEDLO COCC#CC[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000665168227 413914843 /nfs/dbraw/zinc/91/48/43/413914843.db2.gz NJRKTEQHSAFRAI-QGZVFWFLSA-N 1 2 285.343 1.746 20 30 CDEDLO C=CCN1CC[C@H]([NH2+][C@H](C)c2c(F)cncc2F)C1=O ZINC000285631834 196349806 /nfs/dbraw/zinc/34/98/06/196349806.db2.gz KVPOHCDRNBVMIR-SKDRFNHKSA-N 1 2 281.306 1.797 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)nn1 ZINC000657328448 414180613 /nfs/dbraw/zinc/18/06/13/414180613.db2.gz VWNVUVDXBOKYQR-JKSUJKDBSA-N 1 2 284.363 1.602 20 30 CDEDLO C[C@H]1CN(S(=O)(=O)CCCCC#N)C[C@H](C)[NH+]1C ZINC000339065546 262591711 /nfs/dbraw/zinc/59/17/11/262591711.db2.gz GRUSJCMJVDTEKF-RYUDHWBXSA-N 1 2 273.402 1.034 20 30 CDEDLO O=C(C[N@@H+]1CCO[C@@H]2CCC[C@@H]21)NC[C@H]1CCCO1 ZINC000329024043 227261207 /nfs/dbraw/zinc/26/12/07/227261207.db2.gz URNADCFZPNCZJK-FRRDWIJNSA-N 1 2 268.357 1.375 20 30 CDEDLO O=C(C[N@H+]1CCO[C@@H]2CCC[C@@H]21)NC[C@H]1CCCO1 ZINC000329024043 227261211 /nfs/dbraw/zinc/26/12/11/227261211.db2.gz URNADCFZPNCZJK-FRRDWIJNSA-N 1 2 268.357 1.375 20 30 CDEDLO CCn1cnnc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329102527 227298741 /nfs/dbraw/zinc/29/87/41/227298741.db2.gz FOSNGEKDEFWJPX-SECBINFHSA-N 1 2 260.301 1.345 20 30 CDEDLO C[C@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)[C@@H]1CCOC1 ZINC000329273043 227399783 /nfs/dbraw/zinc/39/97/83/227399783.db2.gz ALGOFIOLOZHDER-QWHCGFSZSA-N 1 2 299.415 1.026 20 30 CDEDLO C[C@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)[C@@H]1CCOC1 ZINC000329273043 227399787 /nfs/dbraw/zinc/39/97/87/227399787.db2.gz ALGOFIOLOZHDER-QWHCGFSZSA-N 1 2 299.415 1.026 20 30 CDEDLO N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000331813969 228129694 /nfs/dbraw/zinc/12/96/94/228129694.db2.gz UKMGUMKBBKPWJH-AVGNSLFASA-N 1 2 287.367 1.991 20 30 CDEDLO N#CCN1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000332087060 228147383 /nfs/dbraw/zinc/14/73/83/228147383.db2.gz SBZUEJGUQGBZEP-UHFFFAOYSA-N 1 2 271.324 1.311 20 30 CDEDLO CN(CCC#N)C(=O)CC[N@H+](C)Cc1cscn1 ZINC000042865228 260187214 /nfs/dbraw/zinc/18/72/14/260187214.db2.gz AEPVJHKKVWNYFZ-UHFFFAOYSA-N 1 2 266.370 1.337 20 30 CDEDLO CN(CCC#N)C(=O)CC[N@@H+](C)Cc1cscn1 ZINC000042865228 260187216 /nfs/dbraw/zinc/18/72/16/260187216.db2.gz AEPVJHKKVWNYFZ-UHFFFAOYSA-N 1 2 266.370 1.337 20 30 CDEDLO CC[C@@H]1CN(C(=O)[C@]2(C#N)C[C@H]2C)C[C@H]1[NH+]1CCOCC1 ZINC000449983809 261062672 /nfs/dbraw/zinc/06/26/72/261062672.db2.gz DIZTVPYNNNSBJV-KQTLUZQSSA-N 1 2 291.395 1.105 20 30 CDEDLO CCCc1noc(CO[NH+]=C(N)c2cccc(OC)c2)n1 ZINC000174214753 261561947 /nfs/dbraw/zinc/56/19/47/261561947.db2.gz FSYZNUKKMRMLEY-UHFFFAOYSA-N 1 2 290.323 1.868 20 30 CDEDLO CCOC(=O)c1nn(C)cc1C[NH2+][C@@H](CC)CC#N ZINC000186420028 262092371 /nfs/dbraw/zinc/09/23/71/262092371.db2.gz ORNVQUAIAOFWOC-NSHDSACASA-N 1 2 264.329 1.379 20 30 CDEDLO COc1cccc(C(N)=[NH+]OCC[C@@H]2CCCO2)c1 ZINC000189304961 262170176 /nfs/dbraw/zinc/17/01/76/262170176.db2.gz UUXJNNFXFFTYQM-LBPRGKRZSA-N 1 2 264.325 1.901 20 30 CDEDLO C[C@H]1C[C@@H]1CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000354723237 262284263 /nfs/dbraw/zinc/28/42/63/262284263.db2.gz RHTVIZVGENXARU-UONOGXRCSA-N 1 2 279.384 1.107 20 30 CDEDLO C#CCSCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000365567218 262370844 /nfs/dbraw/zinc/37/08/44/262370844.db2.gz VQXSEAZKBRIEHC-CQSZACIVSA-N 1 2 296.436 1.112 20 30 CDEDLO C#CCSCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000365567218 262370846 /nfs/dbraw/zinc/37/08/46/262370846.db2.gz VQXSEAZKBRIEHC-CQSZACIVSA-N 1 2 296.436 1.112 20 30 CDEDLO C[C@H]1CCN(C(=O)NCCCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000273209530 263014014 /nfs/dbraw/zinc/01/40/14/263014014.db2.gz JPPBOFLIONGQFA-STQMWFEESA-N 1 2 275.356 1.779 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CC[S@@](=O)C1 ZINC000277578297 263042152 /nfs/dbraw/zinc/04/21/52/263042152.db2.gz VPLOANLPZNGUIP-ZUOKHONESA-N 1 2 292.404 1.789 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CC[S@@](=O)C1 ZINC000277578297 263042153 /nfs/dbraw/zinc/04/21/53/263042153.db2.gz VPLOANLPZNGUIP-ZUOKHONESA-N 1 2 292.404 1.789 20 30 CDEDLO CC(=O)Nc1cccc(CO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000283882206 263084785 /nfs/dbraw/zinc/08/47/85/263084785.db2.gz CUEIIJCGKTUJHO-ZDUSSCGKSA-N 1 2 277.324 1.613 20 30 CDEDLO C=CCN(CCC#N)C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000293640463 263145552 /nfs/dbraw/zinc/14/55/52/263145552.db2.gz DHYJLMLWOQSERA-HNNXBMFYSA-N 1 2 291.395 1.416 20 30 CDEDLO C=CCN(CCC#N)C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000293640463 263145553 /nfs/dbraw/zinc/14/55/53/263145553.db2.gz DHYJLMLWOQSERA-HNNXBMFYSA-N 1 2 291.395 1.416 20 30 CDEDLO CCOC(=O)c1cc(C[NH+]2CCN(CC#N)CC2)[nH]c1C ZINC000294904158 263168846 /nfs/dbraw/zinc/16/88/46/263168846.db2.gz SFAYQEDRKVBJHC-UHFFFAOYSA-N 1 2 290.367 1.141 20 30 CDEDLO CC#CC[NH+]1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000119920100 263278119 /nfs/dbraw/zinc/27/81/19/263278119.db2.gz IABZACBNCMQSEF-KRWDZBQOSA-N 1 2 297.402 1.433 20 30 CDEDLO C=CCCS(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000121440850 263295180 /nfs/dbraw/zinc/29/51/80/263295180.db2.gz ALIGHZCYZGNMSY-NSHDSACASA-N 1 2 269.370 1.843 20 30 CDEDLO CCc1noc([C@H](C)[NH+]2CCC(C#N)(COC)CC2)n1 ZINC000341978415 263369117 /nfs/dbraw/zinc/36/91/17/263369117.db2.gz NBSUTOWUQWJGQW-NSHDSACASA-N 1 2 278.356 1.945 20 30 CDEDLO CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)C[C@H](C)C#N ZINC000330728020 264036305 /nfs/dbraw/zinc/03/63/05/264036305.db2.gz GQHSBPSVUYGQED-CYBMUJFWSA-N 1 2 276.384 1.811 20 30 CDEDLO CC[N@H+](CC(=O)NC1(C#N)CCCCC1)C[C@H](C)C#N ZINC000330728020 264036307 /nfs/dbraw/zinc/03/63/07/264036307.db2.gz GQHSBPSVUYGQED-CYBMUJFWSA-N 1 2 276.384 1.811 20 30 CDEDLO C=C[C@H](C)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000330933723 264097493 /nfs/dbraw/zinc/09/74/93/264097493.db2.gz FGMILLFKWNFINK-JSGCOSHPSA-N 1 2 299.440 1.272 20 30 CDEDLO Cc1ccc(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)c(C)[nH+]1 ZINC000331280989 264171518 /nfs/dbraw/zinc/17/15/18/264171518.db2.gz CEBAEVUEOCSCPO-NSHDSACASA-N 1 2 297.380 1.459 20 30 CDEDLO CC(C)n1cnc(C(=O)NC(C)(C)C[NH+]2CCOCC2)c1 ZINC000331318914 264189270 /nfs/dbraw/zinc/18/92/70/264189270.db2.gz DQUIFUNCHRPWAC-UHFFFAOYSA-N 1 2 294.399 1.879 20 30 CDEDLO C=CC1CC[NH+](Cc2nc(C(=O)OC)co2)CC1 ZINC000331334555 264193027 /nfs/dbraw/zinc/19/30/27/264193027.db2.gz PUECPPWFSCNXHD-UHFFFAOYSA-N 1 2 250.298 1.859 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)nn1 ZINC000653624262 424368928 /nfs/dbraw/zinc/36/89/28/424368928.db2.gz HLVTYEDMCKVDRA-DGCLKSJQSA-N 1 2 250.346 1.057 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)nn1 ZINC000653624262 424368936 /nfs/dbraw/zinc/36/89/36/424368936.db2.gz HLVTYEDMCKVDRA-DGCLKSJQSA-N 1 2 250.346 1.057 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)nn1 ZINC000653624263 424369260 /nfs/dbraw/zinc/36/92/60/424369260.db2.gz HLVTYEDMCKVDRA-WCQYABFASA-N 1 2 250.346 1.057 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)nn1 ZINC000653624263 424369265 /nfs/dbraw/zinc/36/92/65/424369265.db2.gz HLVTYEDMCKVDRA-WCQYABFASA-N 1 2 250.346 1.057 20 30 CDEDLO CC[N@@H+](CC(=O)N1CCC[C@@H](C)C1)C[C@H](C)C#N ZINC000356472783 266121072 /nfs/dbraw/zinc/12/10/72/266121072.db2.gz JIAFTKCJAWFPDG-CHWSQXEVSA-N 1 2 251.374 1.726 20 30 CDEDLO CC[N@H+](CC(=O)N1CCC[C@@H](C)C1)C[C@H](C)C#N ZINC000356472783 266121075 /nfs/dbraw/zinc/12/10/75/266121075.db2.gz JIAFTKCJAWFPDG-CHWSQXEVSA-N 1 2 251.374 1.726 20 30 CDEDLO C=C[C@H](CO)NC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000356862820 266196256 /nfs/dbraw/zinc/19/62/56/266196256.db2.gz QQPDHGNBBJPIRN-CYBMUJFWSA-N 1 2 296.798 1.825 20 30 CDEDLO C=C[C@H](CO)NC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000356862820 266196260 /nfs/dbraw/zinc/19/62/60/266196260.db2.gz QQPDHGNBBJPIRN-CYBMUJFWSA-N 1 2 296.798 1.825 20 30 CDEDLO C[C@@H](C#N)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000357809268 266369960 /nfs/dbraw/zinc/36/99/60/266369960.db2.gz WAGAQCGJENQITA-NSHDSACASA-N 1 2 258.325 1.458 20 30 CDEDLO C=CCOCC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000358962417 266513933 /nfs/dbraw/zinc/51/39/33/266513933.db2.gz ZGZNCCLGHQQELS-CQSZACIVSA-N 1 2 289.379 1.489 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000363232065 267081452 /nfs/dbraw/zinc/08/14/52/267081452.db2.gz PVZJOMCXZSNKRM-CYBMUJFWSA-N 1 2 295.427 1.258 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000363232065 267081453 /nfs/dbraw/zinc/08/14/53/267081453.db2.gz PVZJOMCXZSNKRM-CYBMUJFWSA-N 1 2 295.427 1.258 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@H+](C[C@H](C#N)CCC#N)CCO2 ZINC000369398466 267240696 /nfs/dbraw/zinc/24/06/96/267240696.db2.gz NUFMSQVLNCREBV-IHRRRGAJSA-N 1 2 263.341 1.310 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@@H+](C[C@H](C#N)CCC#N)CCO2 ZINC000369398466 267240697 /nfs/dbraw/zinc/24/06/97/267240697.db2.gz NUFMSQVLNCREBV-IHRRRGAJSA-N 1 2 263.341 1.310 20 30 CDEDLO C[C@H]1C(=O)NCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000123436065 268053402 /nfs/dbraw/zinc/05/34/02/268053402.db2.gz WAEPUEJZFOKUDG-ZDUSSCGKSA-N 1 2 287.363 1.689 20 30 CDEDLO C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000123436065 268053405 /nfs/dbraw/zinc/05/34/05/268053405.db2.gz WAEPUEJZFOKUDG-ZDUSSCGKSA-N 1 2 287.363 1.689 20 30 CDEDLO CC(C)(C)[C@@H](C#N)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000335774325 277223419 /nfs/dbraw/zinc/22/34/19/277223419.db2.gz BXWFNBYKOPDNAS-WDEREUQCSA-N 1 2 260.341 1.500 20 30 CDEDLO Cc1c[nH+]ccc1NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427772136 280281618 /nfs/dbraw/zinc/28/16/18/280281618.db2.gz CTKIUKLAUMGSFK-UHFFFAOYSA-N 1 2 291.307 1.624 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](Nc1cnc(C#N)cn1)C1CC1 ZINC000561356881 293080892 /nfs/dbraw/zinc/08/08/92/293080892.db2.gz GMFCNPOIDQFZAC-LBPRGKRZSA-N 1 2 254.297 1.645 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cccc(C#N)n1 ZINC000563099021 293273937 /nfs/dbraw/zinc/27/39/37/293273937.db2.gz SZIICMSFGUMTPC-UHFFFAOYSA-N 1 2 284.323 1.704 20 30 CDEDLO C[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)[C@@H](C)C[N@@H+]1C ZINC000350873501 297065654 /nfs/dbraw/zinc/06/56/54/297065654.db2.gz ZFEJLNNDYVWJJN-NEPJUHHUSA-N 1 2 293.392 1.271 20 30 CDEDLO C[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)[C@@H](C)C[N@H+]1C ZINC000350873501 297065655 /nfs/dbraw/zinc/06/56/55/297065655.db2.gz ZFEJLNNDYVWJJN-NEPJUHHUSA-N 1 2 293.392 1.271 20 30 CDEDLO N#Cc1cncnc1N1CCC(n2cc[nH+]c2)CC1 ZINC000574604227 295025870 /nfs/dbraw/zinc/02/58/70/295025870.db2.gz PADZGLCOXIFJFS-UHFFFAOYSA-N 1 2 254.297 1.386 20 30 CDEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CC2(C1)CCOCC2 ZINC000330220717 295387468 /nfs/dbraw/zinc/38/74/68/295387468.db2.gz QNIKZVMBCBPYGE-NSHDSACASA-N 1 2 290.367 1.293 20 30 CDEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CC2(C1)CCOCC2 ZINC000330220717 295387471 /nfs/dbraw/zinc/38/74/71/295387471.db2.gz QNIKZVMBCBPYGE-NSHDSACASA-N 1 2 290.367 1.293 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000355273481 327933783 /nfs/dbraw/zinc/93/37/83/327933783.db2.gz WKMPLWMJXCGEQW-RISCZKNCSA-N 1 2 263.341 1.063 20 30 CDEDLO C=CCCn1cc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)nn1 ZINC000571171855 328090433 /nfs/dbraw/zinc/09/04/33/328090433.db2.gz AVYAMEKCZMBYQE-UHFFFAOYSA-N 1 2 274.328 1.242 20 30 CDEDLO Oc1cccc(/C=[NH+]/CCCO[C@@H]2CCOC2)c1O ZINC000268124544 328183157 /nfs/dbraw/zinc/18/31/57/328183157.db2.gz VMNSCMFLJUVDOL-KMHUVPDISA-N 1 2 265.309 1.712 20 30 CDEDLO Cc1nnc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)s1 ZINC000271523243 328196487 /nfs/dbraw/zinc/19/64/87/328196487.db2.gz OQFBOHKEQGASMY-UHFFFAOYSA-N 1 2 290.348 1.619 20 30 CDEDLO C[C@H]1CCCN(C(=O)C[N@H+](CCC#N)CC2CC2)C1 ZINC000177030564 329178598 /nfs/dbraw/zinc/17/85/98/329178598.db2.gz GNUODVDAOYUWJN-ZDUSSCGKSA-N 1 2 263.385 1.871 20 30 CDEDLO C[C@H]1CCCN(C(=O)C[N@@H+](CCC#N)CC2CC2)C1 ZINC000177030564 329178600 /nfs/dbraw/zinc/17/86/00/329178600.db2.gz GNUODVDAOYUWJN-ZDUSSCGKSA-N 1 2 263.385 1.871 20 30 CDEDLO C=CCN(CCOC)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000558806225 327121700 /nfs/dbraw/zinc/12/17/00/327121700.db2.gz PQPQOETVOKCWDQ-UHFFFAOYSA-N 1 2 287.363 1.846 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC1(C#N)CC1)C1CC1 ZINC000563902953 328800635 /nfs/dbraw/zinc/80/06/35/328800635.db2.gz NRMZJYHNBXNLDS-NSHDSACASA-N 1 2 273.340 1.474 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000175916808 329171129 /nfs/dbraw/zinc/17/11/29/329171129.db2.gz GWNBVNBKGVTKJI-LSDHHAIUSA-N 1 2 291.395 1.107 20 30 CDEDLO C=C(C)CN(C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000181158053 329233050 /nfs/dbraw/zinc/23/30/50/329233050.db2.gz WHJYHRIHVBSCJF-CHWSQXEVSA-N 1 2 269.389 1.313 20 30 CDEDLO CC#CCCCC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000185493313 329274285 /nfs/dbraw/zinc/27/42/85/329274285.db2.gz IJGWEWRFUKNXBH-INIZCTEOSA-N 1 2 291.439 1.418 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000572337249 329984583 /nfs/dbraw/zinc/98/45/83/329984583.db2.gz KVQUHJULIBMSQG-CYBMUJFWSA-N 1 2 276.296 1.168 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1csc(C2CC2)n1 ZINC000572367954 330011762 /nfs/dbraw/zinc/01/17/62/330011762.db2.gz ONEWNDQTOZQNNY-CYBMUJFWSA-N 1 2 278.381 1.594 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCC1CCOCC1 ZINC000572410340 330064089 /nfs/dbraw/zinc/06/40/89/330064089.db2.gz XIMMKDWNFSAXBU-CQSZACIVSA-N 1 2 267.373 1.153 20 30 CDEDLO C=CCn1cc(C[NH2+][C@H](CC)c2cnn(C)c2)nn1 ZINC000424296509 330336076 /nfs/dbraw/zinc/33/60/76/330336076.db2.gz OUWSEUFYHVNGKI-CYBMUJFWSA-N 1 2 260.345 1.439 20 30 CDEDLO C[C@H]1C[C@]1(C#N)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000448562215 330657695 /nfs/dbraw/zinc/65/76/95/330657695.db2.gz BSXFEJHKOWXQAQ-SWLSCSKDSA-N 1 2 270.336 1.280 20 30 CDEDLO N#CC1(C[NH2+][C@]2(CO)CCOc3ccccc32)CCC1 ZINC000450903463 331006218 /nfs/dbraw/zinc/00/62/18/331006218.db2.gz CNBSODXPTHNEAQ-INIZCTEOSA-N 1 2 272.348 1.940 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000456764600 331201399 /nfs/dbraw/zinc/20/13/99/331201399.db2.gz INNGBYCQOIMTGN-UKRRQHHQSA-N 1 2 296.411 1.073 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000456764600 331201400 /nfs/dbraw/zinc/20/14/00/331201400.db2.gz INNGBYCQOIMTGN-UKRRQHHQSA-N 1 2 296.411 1.073 20 30 CDEDLO COc1ccccc1[C@@H]1CN(C(=O)CCCC#N)CC[NH2+]1 ZINC000488581173 332018867 /nfs/dbraw/zinc/01/88/67/332018867.db2.gz LTXCBSPNQJZHMI-AWEZNQCLSA-N 1 2 287.363 1.862 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cccc(C(=O)NC)c1 ZINC000490678006 332102850 /nfs/dbraw/zinc/10/28/50/332102850.db2.gz MCNYHWUOTTUUKY-UHFFFAOYSA-N 1 2 254.333 1.505 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cccc(C(=O)NC)c1 ZINC000490678006 332102852 /nfs/dbraw/zinc/10/28/52/332102852.db2.gz MCNYHWUOTTUUKY-UHFFFAOYSA-N 1 2 254.333 1.505 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000490740424 332111263 /nfs/dbraw/zinc/11/12/63/332111263.db2.gz LJQFHVPFVVOSCM-UHFFFAOYSA-N 1 2 269.348 1.578 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000490740424 332111265 /nfs/dbraw/zinc/11/12/65/332111265.db2.gz LJQFHVPFVVOSCM-UHFFFAOYSA-N 1 2 269.348 1.578 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)NC(=O)NC1CCCCC1 ZINC000490866798 332122237 /nfs/dbraw/zinc/12/22/37/332122237.db2.gz VCZLOOIIVILTPX-UHFFFAOYSA-N 1 2 289.379 1.103 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)NC(=O)NC1CCCCC1 ZINC000490866798 332122239 /nfs/dbraw/zinc/12/22/39/332122239.db2.gz VCZLOOIIVILTPX-UHFFFAOYSA-N 1 2 289.379 1.103 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000490915759 332128751 /nfs/dbraw/zinc/12/87/51/332128751.db2.gz OZEFHCQFCBFJNY-UHFFFAOYSA-N 1 2 257.337 1.175 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000490915759 332128753 /nfs/dbraw/zinc/12/87/53/332128753.db2.gz OZEFHCQFCBFJNY-UHFFFAOYSA-N 1 2 257.337 1.175 20 30 CDEDLO C#CC[N@@H+](CCCc1ccsc1)[C@H]1CCS(=O)(=O)C1 ZINC000490936828 332131261 /nfs/dbraw/zinc/13/12/61/332131261.db2.gz RQRXJZGUDOMVQU-AWEZNQCLSA-N 1 2 297.445 1.803 20 30 CDEDLO C#CC[N@H+](CCCc1ccsc1)[C@H]1CCS(=O)(=O)C1 ZINC000490936828 332131263 /nfs/dbraw/zinc/13/12/63/332131263.db2.gz RQRXJZGUDOMVQU-AWEZNQCLSA-N 1 2 297.445 1.803 20 30 CDEDLO C#CCNC(=O)CC[NH2+][C@@H](C)c1noc(-c2ccccc2)n1 ZINC000491068279 332145126 /nfs/dbraw/zinc/14/51/26/332145126.db2.gz NNWUBXDXUGYSQN-LBPRGKRZSA-N 1 2 298.346 1.527 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000491252605 332174582 /nfs/dbraw/zinc/17/45/82/332174582.db2.gz IXHAVMLANMZYLK-LLVKDONJSA-N 1 2 273.336 1.537 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000491252605 332174584 /nfs/dbraw/zinc/17/45/84/332174584.db2.gz IXHAVMLANMZYLK-LLVKDONJSA-N 1 2 273.336 1.537 20 30 CDEDLO C#CCN(C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000491279516 332180326 /nfs/dbraw/zinc/18/03/26/332180326.db2.gz YWUIOLWNNMCWHA-UHFFFAOYSA-N 1 2 296.374 1.749 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@](C)(c2ccccc2C)C1=O ZINC000491288152 332182012 /nfs/dbraw/zinc/18/20/12/332182012.db2.gz QIBAJZPHKVIONJ-CXAGYDPISA-N 1 2 299.374 1.673 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@](C)(c2ccccc2C)C1=O ZINC000491288152 332182013 /nfs/dbraw/zinc/18/20/13/332182013.db2.gz QIBAJZPHKVIONJ-CXAGYDPISA-N 1 2 299.374 1.673 20 30 CDEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)C(C)(C)C ZINC000491304103 332185709 /nfs/dbraw/zinc/18/57/09/332185709.db2.gz DCDSTAAHBHWQRA-CYBMUJFWSA-N 1 2 295.427 1.444 20 30 CDEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)C(C)(C)C ZINC000491304103 332185711 /nfs/dbraw/zinc/18/57/11/332185711.db2.gz DCDSTAAHBHWQRA-CYBMUJFWSA-N 1 2 295.427 1.444 20 30 CDEDLO C#CCN[NH+]=C(C)c1c(F)cccc1N1CCOCC1 ZINC000491409166 332207054 /nfs/dbraw/zinc/20/70/54/332207054.db2.gz YTOCKMMDUUFHHJ-UHFFFAOYSA-N 1 2 275.327 1.609 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)NC(C)(C)C)n1 ZINC000491428999 332210198 /nfs/dbraw/zinc/21/01/98/332210198.db2.gz RSTVYVBFXHKDOF-CYBMUJFWSA-N 1 2 290.411 1.641 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)NC(C)(C)C)n1 ZINC000491428999 332210199 /nfs/dbraw/zinc/21/01/99/332210199.db2.gz RSTVYVBFXHKDOF-CYBMUJFWSA-N 1 2 290.411 1.641 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccccc1C(=O)OCC ZINC000491438623 332211399 /nfs/dbraw/zinc/21/13/99/332211399.db2.gz DZCCNQGZYGYQMT-UHFFFAOYSA-N 1 2 274.320 1.367 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccccc1C(=O)OCC ZINC000491438623 332211401 /nfs/dbraw/zinc/21/14/01/332211401.db2.gz DZCCNQGZYGYQMT-UHFFFAOYSA-N 1 2 274.320 1.367 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000491465724 332217142 /nfs/dbraw/zinc/21/71/42/332217142.db2.gz XSACTMDJBDOCMY-SNVBAGLBSA-N 1 2 298.346 1.300 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000491486876 332221315 /nfs/dbraw/zinc/22/13/15/332221315.db2.gz YSHRZXMCIWRGSK-HNNXBMFYSA-N 1 2 270.332 1.661 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000491486876 332221316 /nfs/dbraw/zinc/22/13/16/332221316.db2.gz YSHRZXMCIWRGSK-HNNXBMFYSA-N 1 2 270.332 1.661 20 30 CDEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1)C(C)C ZINC000491504564 332224702 /nfs/dbraw/zinc/22/47/02/332224702.db2.gz IOINUDYXCYMZLK-UONOGXRCSA-N 1 2 281.400 1.054 20 30 CDEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCO[C@@H](CC)C1)C(C)C ZINC000491504564 332224703 /nfs/dbraw/zinc/22/47/03/332224703.db2.gz IOINUDYXCYMZLK-UONOGXRCSA-N 1 2 281.400 1.054 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H]2CCC=CO2)n1 ZINC000491662663 332272254 /nfs/dbraw/zinc/27/22/54/332272254.db2.gz ORQWTGNARWYMAO-INIZCTEOSA-N 1 2 289.379 1.657 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H]2CCC=CO2)n1 ZINC000491662663 332272255 /nfs/dbraw/zinc/27/22/55/332272255.db2.gz ORQWTGNARWYMAO-INIZCTEOSA-N 1 2 289.379 1.657 20 30 CDEDLO C#CC[N@H+](Cc1cn(-c2ccccc2)nn1)C1CC1 ZINC000491665114 332273977 /nfs/dbraw/zinc/27/39/77/332273977.db2.gz GEPMPJPPUUQHBJ-UHFFFAOYSA-N 1 2 252.321 1.865 20 30 CDEDLO C#CC[N@@H+](Cc1cn(-c2ccccc2)nn1)C1CC1 ZINC000491665114 332273979 /nfs/dbraw/zinc/27/39/79/332273979.db2.gz GEPMPJPPUUQHBJ-UHFFFAOYSA-N 1 2 252.321 1.865 20 30 CDEDLO C#C[C@@H](CC)NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000491676389 332281943 /nfs/dbraw/zinc/28/19/43/332281943.db2.gz WHMXVGLMRVWTNS-AWEZNQCLSA-N 1 2 291.420 1.987 20 30 CDEDLO C#C[C@H](CCC)NC(=O)NCCCNc1cccc[nH+]1 ZINC000491699023 332293771 /nfs/dbraw/zinc/29/37/71/332293771.db2.gz RKVAQQBXAPLHKY-CYBMUJFWSA-N 1 2 274.368 1.985 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000491781123 332345290 /nfs/dbraw/zinc/34/52/90/332345290.db2.gz MWUDZWYVNASAHM-JSGCOSHPSA-N 1 2 272.348 1.945 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000491781123 332345291 /nfs/dbraw/zinc/34/52/91/332345291.db2.gz MWUDZWYVNASAHM-JSGCOSHPSA-N 1 2 272.348 1.945 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(Cl)c2)CC1 ZINC000491806400 332359569 /nfs/dbraw/zinc/35/95/69/332359569.db2.gz QKXVLZQKMFBVEJ-UHFFFAOYSA-N 1 2 291.782 1.529 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)/C=C\c1[nH+]ccn1CC ZINC000492385242 332395127 /nfs/dbraw/zinc/39/51/27/332395127.db2.gz RFIXGFVUBXXIBM-ZHRWSRJISA-N 1 2 263.341 1.217 20 30 CDEDLO CC(C)(C)OC(=O)N1CC[NH+](CCOCCC#N)CC1 ZINC000495597904 332524481 /nfs/dbraw/zinc/52/44/81/332524481.db2.gz XGANCJPINXOMCX-UHFFFAOYSA-N 1 2 283.372 1.469 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CC[C@H]1CCCCO1 ZINC000521882253 333195519 /nfs/dbraw/zinc/19/55/19/333195519.db2.gz BSLDCDFQECGNEC-OCCSQVGLSA-N 1 2 267.373 1.296 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1 ZINC000192238282 333233530 /nfs/dbraw/zinc/23/35/30/333233530.db2.gz FFVLLWDBTYPUGP-QGZVFWFLSA-N 1 2 286.375 1.828 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1 ZINC000192238282 333233531 /nfs/dbraw/zinc/23/35/31/333233531.db2.gz FFVLLWDBTYPUGP-QGZVFWFLSA-N 1 2 286.375 1.828 20 30 CDEDLO O=C(NCC#Cc1ccccc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547628773 334104013 /nfs/dbraw/zinc/10/40/13/334104013.db2.gz YISZATKGHFAZMX-OAHLLOKOSA-N 1 2 294.358 1.549 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(Cl)cn2)C1=O ZINC000548843215 334175892 /nfs/dbraw/zinc/17/58/92/334175892.db2.gz IABNDPDXUKETEE-ZDUSSCGKSA-N 1 2 279.771 1.954 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cn2)C1=O ZINC000548843215 334175893 /nfs/dbraw/zinc/17/58/93/334175893.db2.gz IABNDPDXUKETEE-ZDUSSCGKSA-N 1 2 279.771 1.954 20 30 CDEDLO COCCO[C@@H]1CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000249363061 334332618 /nfs/dbraw/zinc/33/26/18/334332618.db2.gz LZUVGOSUCXKRMS-CHWSQXEVSA-N 1 2 251.330 1.167 20 30 CDEDLO COCCO[C@@H]1CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000249363061 334332619 /nfs/dbraw/zinc/33/26/19/334332619.db2.gz LZUVGOSUCXKRMS-CHWSQXEVSA-N 1 2 251.330 1.167 20 30 CDEDLO C[C@H](Oc1cccc(F)c1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000555480851 334479587 /nfs/dbraw/zinc/47/95/87/334479587.db2.gz VRWKFNNSIANHPU-NHYWBVRUSA-N 1 2 293.342 1.553 20 30 CDEDLO COC(=O)c1cccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000564872564 334525183 /nfs/dbraw/zinc/52/51/83/334525183.db2.gz NOIOZVUAHVSCKJ-HNNXBMFYSA-N 1 2 289.335 1.047 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000567595506 334738318 /nfs/dbraw/zinc/73/83/18/334738318.db2.gz KJTWEPXSWZOVSP-RYUDHWBXSA-N 1 2 251.330 1.278 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1nccs1 ZINC000577757085 335398031 /nfs/dbraw/zinc/39/80/31/335398031.db2.gz KCOIOJCQJJJNGR-GFCCVEGCSA-N 1 2 266.370 1.036 20 30 CDEDLO Cc1nc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c(C)s1 ZINC000581135248 336013657 /nfs/dbraw/zinc/01/36/57/336013657.db2.gz LDBQRBBQWWAQTM-CYBMUJFWSA-N 1 2 280.397 1.263 20 30 CDEDLO Cc1cccc(OCC(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000581551521 336101435 /nfs/dbraw/zinc/10/14/35/336101435.db2.gz PVDYZLINSCCBJA-OAHLLOKOSA-N 1 2 275.352 1.334 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1ccccc1OC ZINC000581952514 336178217 /nfs/dbraw/zinc/17/82/17/336178217.db2.gz MQHXDAVODJVHRE-ZDUSSCGKSA-N 1 2 275.352 1.593 20 30 CDEDLO CC(C)CN(CCC#N)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001361851826 1159999492 /nfs/dbraw/zinc/99/94/92/1159999492.db2.gz LJNXMJNEDAEBBS-ZDUSSCGKSA-N 1 2 274.368 1.844 20 30 CDEDLO C=CCNc1ncc(C(=O)N2CC[N@@H+](CC)[C@@H](C)C2)s1 ZINC000677217388 482586443 /nfs/dbraw/zinc/58/64/43/482586443.db2.gz SGMULMCOBPKNHL-NSHDSACASA-N 1 2 294.424 1.907 20 30 CDEDLO C=CCNc1ncc(C(=O)N2CC[N@H+](CC)[C@@H](C)C2)s1 ZINC000677217388 482586446 /nfs/dbraw/zinc/58/64/46/482586446.db2.gz SGMULMCOBPKNHL-NSHDSACASA-N 1 2 294.424 1.907 20 30 CDEDLO COCC#CC[NH+]1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000677819346 482795411 /nfs/dbraw/zinc/79/54/11/482795411.db2.gz YTEYEWPTBNBCPC-UHFFFAOYSA-N 1 2 286.375 1.403 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000676116852 483419884 /nfs/dbraw/zinc/41/98/84/483419884.db2.gz HURVMWCFWHHJDR-CYBMUJFWSA-N 1 2 277.368 1.982 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000676116852 483419890 /nfs/dbraw/zinc/41/98/90/483419890.db2.gz HURVMWCFWHHJDR-CYBMUJFWSA-N 1 2 277.368 1.982 20 30 CDEDLO Cc1ccnc(C#N)c1N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001168374698 1160921913 /nfs/dbraw/zinc/92/19/13/1160921913.db2.gz VHJDIAZQJYASFD-GFCCVEGCSA-N 1 2 272.352 1.537 20 30 CDEDLO Cc1ccnc(C#N)c1N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001168374698 1160921916 /nfs/dbraw/zinc/92/19/16/1160921916.db2.gz VHJDIAZQJYASFD-GFCCVEGCSA-N 1 2 272.352 1.537 20 30 CDEDLO C=CC[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000820449604 1161919731 /nfs/dbraw/zinc/91/97/31/1161919731.db2.gz BQIZNMKITNICHQ-MFKMUULPSA-N 1 2 262.357 1.871 20 30 CDEDLO C=CC[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000820449604 1161919734 /nfs/dbraw/zinc/91/97/34/1161919734.db2.gz BQIZNMKITNICHQ-MFKMUULPSA-N 1 2 262.357 1.871 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2(COC)CCCC2)CC1 ZINC001112932737 1162059726 /nfs/dbraw/zinc/05/97/26/1162059726.db2.gz DIJIIUJOSAUZPJ-UHFFFAOYSA-N 1 2 266.385 1.523 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](CC)OC ZINC001754300863 1185561089 /nfs/dbraw/zinc/56/10/89/1185561089.db2.gz FPYGYIZKPBUZLZ-WDEREUQCSA-N 1 2 262.781 1.600 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H](CC)OC ZINC001754300863 1185561094 /nfs/dbraw/zinc/56/10/94/1185561094.db2.gz FPYGYIZKPBUZLZ-WDEREUQCSA-N 1 2 262.781 1.600 20 30 CDEDLO C#CCC[NH+]1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000049443102 518249600 /nfs/dbraw/zinc/24/96/00/518249600.db2.gz PINIYSWKRAAWGZ-UHFFFAOYSA-N 1 2 292.404 1.157 20 30 CDEDLO Cc1nc(N2CCC[C@@H]2C(=O)NC2CC2)nc(N(C)C)[nH+]1 ZINC000330169148 534436025 /nfs/dbraw/zinc/43/60/25/534436025.db2.gz BGGJZNQDTRHUAS-LLVKDONJSA-N 1 2 290.371 1.334 20 30 CDEDLO Cc1nc(N(C)C)nc(N2CCC[C@@H]2C(=O)NC2CC2)[nH+]1 ZINC000330169148 534436027 /nfs/dbraw/zinc/43/60/27/534436027.db2.gz BGGJZNQDTRHUAS-LLVKDONJSA-N 1 2 290.371 1.334 20 30 CDEDLO [O-]C(NC1CCSCC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330181147 534749364 /nfs/dbraw/zinc/74/93/64/534749364.db2.gz GLCKSXXJECCXHN-NSHDSACASA-N 1 2 280.397 1.597 20 30 CDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C1CCSCC1 ZINC000330181147 534749370 /nfs/dbraw/zinc/74/93/70/534749370.db2.gz GLCKSXXJECCXHN-NSHDSACASA-N 1 2 280.397 1.597 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@H](C2CC2)O1 ZINC000366343329 524583278 /nfs/dbraw/zinc/58/32/78/524583278.db2.gz SDWZPIJJRIKLCE-LRDDRELGSA-N 1 2 299.374 1.996 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@H](C2CC2)O1 ZINC000366343329 524583289 /nfs/dbraw/zinc/58/32/89/524583289.db2.gz SDWZPIJJRIKLCE-LRDDRELGSA-N 1 2 299.374 1.996 20 30 CDEDLO N#Cc1cc(C[NH+]2CCN(c3ccccn3)CC2)ccn1 ZINC000068765486 526550015 /nfs/dbraw/zinc/55/00/15/526550015.db2.gz IXZSNFMOBFXUQE-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO C=C(C)C[N@H+](Cc1ccccc1)[C@@H](C(=O)OC)[C@H](C)O ZINC000351955614 526569631 /nfs/dbraw/zinc/56/96/31/526569631.db2.gz CSSWHBQGRZPLFZ-DZGCQCFKSA-N 1 2 277.364 1.987 20 30 CDEDLO C=C(C)C[N@@H+](Cc1ccccc1)[C@@H](C(=O)OC)[C@H](C)O ZINC000351955614 526569635 /nfs/dbraw/zinc/56/96/35/526569635.db2.gz CSSWHBQGRZPLFZ-DZGCQCFKSA-N 1 2 277.364 1.987 20 30 CDEDLO C=CCNC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000353343294 526581980 /nfs/dbraw/zinc/58/19/80/526581980.db2.gz JUGXAJCNQXPUDK-UHFFFAOYSA-N 1 2 265.263 1.925 20 30 CDEDLO C=CCSCCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000352535905 526983908 /nfs/dbraw/zinc/98/39/08/526983908.db2.gz WZGCWLPBQMFBOB-UHFFFAOYSA-N 1 2 292.395 1.999 20 30 CDEDLO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C[C@H](C)O1 ZINC000330180424 529345491 /nfs/dbraw/zinc/34/54/91/529345491.db2.gz FYWNYAHMHVVBLO-YNEHKIRRSA-N 1 2 292.383 1.611 20 30 CDEDLO Cn1ccnc1C[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000315093086 536306992 /nfs/dbraw/zinc/30/69/92/536306992.db2.gz VPHKKGREMOSEPT-UHFFFAOYSA-N 1 2 297.362 1.752 20 30 CDEDLO Cn1ccnc1C[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000315093086 536306993 /nfs/dbraw/zinc/30/69/93/536306993.db2.gz VPHKKGREMOSEPT-UHFFFAOYSA-N 1 2 297.362 1.752 20 30 CDEDLO Cc1[nH]c(C(=O)NC2CCN(C(=O)C3CC3)CC2)c[nH+]1 ZINC000328763872 538398986 /nfs/dbraw/zinc/39/89/86/538398986.db2.gz FZRARDYGZIJHHW-UHFFFAOYSA-N 1 2 276.340 1.424 20 30 CDEDLO CCc1nc2n(n1)C[C@H](NC(=O)c1c[nH+]c(C)[nH]1)CC2 ZINC000328770512 538414358 /nfs/dbraw/zinc/41/43/58/538414358.db2.gz IZUBFGUWYBPRPQ-SECBINFHSA-N 1 2 274.328 1.192 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](CCC)CC(=O)OCC)C1=O ZINC000282058058 545550990 /nfs/dbraw/zinc/55/09/90/545550990.db2.gz RZSOOSVHZRMSSB-LBPRGKRZSA-N 1 2 268.357 1.048 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](CCC)CC(=O)OCC)C1=O ZINC000282058058 545550992 /nfs/dbraw/zinc/55/09/92/545550992.db2.gz RZSOOSVHZRMSSB-LBPRGKRZSA-N 1 2 268.357 1.048 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]Nc1cccc([N+](=O)[O-])c1 ZINC000747626019 574503392 /nfs/dbraw/zinc/50/33/92/574503392.db2.gz QDPHRHDRQBIZEI-UHFFFAOYSA-N 1 2 288.267 1.422 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)N[C@](C)(C2CC2)C1=O)C1CC1 ZINC000771639323 575599648 /nfs/dbraw/zinc/59/96/48/575599648.db2.gz HHYAOCNWHYLNEH-CQSZACIVSA-N 1 2 263.341 1.315 20 30 CDEDLO C=CC[N@H+](CN1C(=O)N[C@](C)(C2CC2)C1=O)C1CC1 ZINC000771639323 575599651 /nfs/dbraw/zinc/59/96/51/575599651.db2.gz HHYAOCNWHYLNEH-CQSZACIVSA-N 1 2 263.341 1.315 20 30 CDEDLO C[C@@]1(C/[NH+]=C/c2ccc(O)c(O)c2O)CCOC1 ZINC000733081304 575100914 /nfs/dbraw/zinc/10/09/14/575100914.db2.gz UPCDLRWQSSVOPU-VYAXBHEWSA-N 1 2 251.282 1.649 20 30 CDEDLO C#C[C@H](CC)NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000767874546 576234597 /nfs/dbraw/zinc/23/45/97/576234597.db2.gz ODPCZTHMLUVUQL-CHWSQXEVSA-N 1 2 274.368 1.721 20 30 CDEDLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ncc(C#N)s1 ZINC000759626709 576412426 /nfs/dbraw/zinc/41/24/26/576412426.db2.gz LHNZNTBMXLYNAJ-SECBINFHSA-N 1 2 250.327 1.438 20 30 CDEDLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1ncc(C#N)s1 ZINC000759626709 576412427 /nfs/dbraw/zinc/41/24/27/576412427.db2.gz LHNZNTBMXLYNAJ-SECBINFHSA-N 1 2 250.327 1.438 20 30 CDEDLO CC(C)c1nc(-c2nn[nH]n2)c(N=NCc2[nH]cc[nH+]2)o1 ZINC000735940448 575533622 /nfs/dbraw/zinc/53/36/22/575533622.db2.gz ZDDWWRORQVSJJK-UHFFFAOYSA-N 1 2 287.287 1.147 20 30 CDEDLO COc1ccnc(N=NCc2cccc3[nH+]ccn32)n1 ZINC000771099801 575548684 /nfs/dbraw/zinc/54/86/84/575548684.db2.gz ZYWHULMITJHHSZ-UHFFFAOYSA-N 1 2 268.280 1.579 20 30 CDEDLO CC(C)C1(O)C[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000773891217 575843547 /nfs/dbraw/zinc/84/35/47/575843547.db2.gz QJISGJUIPGGTQL-ZDUSSCGKSA-N 1 2 293.411 1.420 20 30 CDEDLO C#CCNC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000764491580 575915554 /nfs/dbraw/zinc/91/55/54/575915554.db2.gz CRSHYUWFXBRLRW-UHFFFAOYSA-N 1 2 287.319 1.309 20 30 CDEDLO C#CCNC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000764491580 575915556 /nfs/dbraw/zinc/91/55/56/575915556.db2.gz CRSHYUWFXBRLRW-UHFFFAOYSA-N 1 2 287.319 1.309 20 30 CDEDLO C#CC[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000764684104 575934106 /nfs/dbraw/zinc/93/41/06/575934106.db2.gz TZUQFSVMBGBQER-UHFFFAOYSA-N 1 2 288.303 1.964 20 30 CDEDLO C#CC[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000764684104 575934107 /nfs/dbraw/zinc/93/41/07/575934107.db2.gz TZUQFSVMBGBQER-UHFFFAOYSA-N 1 2 288.303 1.964 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)C[C@@H](OCC)C(C)C)CC1 ZINC000760584486 576495308 /nfs/dbraw/zinc/49/53/08/576495308.db2.gz FMYASKZOGRNGBY-CQSZACIVSA-N 1 2 266.385 1.215 20 30 CDEDLO COCCOCC(C)N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761856548 576597961 /nfs/dbraw/zinc/59/79/61/576597961.db2.gz ARSWSPDHSYSPLD-UHFFFAOYSA-N 1 2 290.327 1.113 20 30 CDEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)c1cscn1 ZINC000761857078 576598136 /nfs/dbraw/zinc/59/81/36/576598136.db2.gz GWFLERRBKXSFSR-UHFFFAOYSA-N 1 2 285.336 1.955 20 30 CDEDLO CCC(N=Nc1ccc(-n2cc[nH+]c2)nn1)[C@H]1CCOC1 ZINC000761858296 576598599 /nfs/dbraw/zinc/59/85/99/576598599.db2.gz SFHLJDQRXWGKDX-NSHDSACASA-N 1 2 286.339 1.877 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N(C)Cc1ccccc1C ZINC000743854549 576658653 /nfs/dbraw/zinc/65/86/53/576658653.db2.gz BWNQBUDDGYCQLI-UHFFFAOYSA-N 1 2 282.387 1.912 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N(C)Cc1ccccc1C ZINC000743854549 576658655 /nfs/dbraw/zinc/65/86/55/576658655.db2.gz BWNQBUDDGYCQLI-UHFFFAOYSA-N 1 2 282.387 1.912 20 30 CDEDLO COCC#CCO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000764212261 576785761 /nfs/dbraw/zinc/78/57/61/576785761.db2.gz MYENGQQAMSVMLF-UHFFFAOYSA-N 1 2 254.236 1.461 20 30 CDEDLO C#CC(=O)N1CCN(Cc2c(C)[nH+]c3cc(C)ccn32)CC1 ZINC000753896976 576865106 /nfs/dbraw/zinc/86/51/06/576865106.db2.gz HJSLHROHVUIIPQ-UHFFFAOYSA-N 1 2 296.374 1.229 20 30 CDEDLO C#CC(=O)N1CC[NH+](Cc2c(C)nc3cc(C)ccn32)CC1 ZINC000753896976 576865107 /nfs/dbraw/zinc/86/51/07/576865107.db2.gz HJSLHROHVUIIPQ-UHFFFAOYSA-N 1 2 296.374 1.229 20 30 CDEDLO C#CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000753912325 576865780 /nfs/dbraw/zinc/86/57/80/576865780.db2.gz XNYLUYFCFACVQX-UHFFFAOYSA-N 1 2 272.352 1.190 20 30 CDEDLO C=C[C@H](C)NC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000754119925 576881444 /nfs/dbraw/zinc/88/14/44/576881444.db2.gz SHKSHEOVQBMTSW-NSHDSACASA-N 1 2 296.440 1.770 20 30 CDEDLO Cc1[nH+]c2ccccn2c1CN=Nc1nccn(C)c1=O ZINC000748079599 576894468 /nfs/dbraw/zinc/89/44/68/576894468.db2.gz HWTNCETWWUMNQN-UHFFFAOYSA-N 1 2 282.307 1.182 20 30 CDEDLO CC[C@@]1(C)NC(=O)N(N=Cc2c[nH+]c3c(C)cccn23)C1=O ZINC000755553302 576949468 /nfs/dbraw/zinc/94/94/68/576949468.db2.gz BTBLBPQJTUYZOQ-OAHLLOKOSA-N 1 2 299.334 1.697 20 30 CDEDLO COc1ccnc(N=NCc2c[nH+]c3c(C)cccn23)n1 ZINC000755639552 576953319 /nfs/dbraw/zinc/95/33/19/576953319.db2.gz IXTLKGCVNQXEJM-UHFFFAOYSA-N 1 2 282.307 1.887 20 30 CDEDLO COCCCNC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000749787469 576962132 /nfs/dbraw/zinc/96/21/32/576962132.db2.gz OMUYYTKGAXXIHF-SNVBAGLBSA-N 1 2 297.330 1.004 20 30 CDEDLO Cc1[nH]c[nH+]c1C=Nn1cc(Br)cn1 ZINC000755815249 576962663 /nfs/dbraw/zinc/96/26/63/576962663.db2.gz QZBIOXXEFYZPQB-UHFFFAOYSA-N 1 2 254.091 1.559 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)C(F)(F)c2nccs2)CC1 ZINC000756435421 576990210 /nfs/dbraw/zinc/99/02/10/576990210.db2.gz BYPYRPODZXCCBX-UHFFFAOYSA-N 1 2 299.346 1.402 20 30 CDEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@@H](OC)C2)c1=S ZINC000751940442 577076025 /nfs/dbraw/zinc/07/60/25/577076025.db2.gz JFWDPQZLEJNRJY-LLVKDONJSA-N 1 2 268.386 1.587 20 30 CDEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@@H](OC)C2)c1=S ZINC000751940442 577076027 /nfs/dbraw/zinc/07/60/27/577076027.db2.gz JFWDPQZLEJNRJY-LLVKDONJSA-N 1 2 268.386 1.587 20 30 CDEDLO C#CCNC(=S)NCCn1c(C)[nH+]c2ccccc21 ZINC000758184624 577078103 /nfs/dbraw/zinc/07/81/03/577078103.db2.gz MIYXMJRLPNCPHD-UHFFFAOYSA-N 1 2 272.377 1.442 20 30 CDEDLO c1cnc(N=NCc2ccc(N3CCCC3)[nH+]c2)nc1 ZINC000758372598 577102740 /nfs/dbraw/zinc/10/27/40/577102740.db2.gz OUFQEGKLHXMJTE-UHFFFAOYSA-N 1 2 268.324 1.918 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c1=S ZINC000752809210 577129123 /nfs/dbraw/zinc/12/91/23/577129123.db2.gz FBYUZTBWPGLIMC-GHMZBOCLSA-N 1 2 283.401 1.188 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c1=S ZINC000752809210 577129124 /nfs/dbraw/zinc/12/91/24/577129124.db2.gz FBYUZTBWPGLIMC-GHMZBOCLSA-N 1 2 283.401 1.188 20 30 CDEDLO N#CCCCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000752842474 577130686 /nfs/dbraw/zinc/13/06/86/577130686.db2.gz RNXNINAVXDFBTG-UHFFFAOYSA-N 1 2 255.281 1.301 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(C)=O)C[C@H]1C ZINC000946932862 613235651 /nfs/dbraw/zinc/23/56/51/613235651.db2.gz NVOZIWFMYJIZJW-MWLCHTKSSA-N 1 2 275.190 1.884 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(C)=O)C[C@H]1C ZINC000946932862 613235653 /nfs/dbraw/zinc/23/56/53/613235653.db2.gz NVOZIWFMYJIZJW-MWLCHTKSSA-N 1 2 275.190 1.884 20 30 CDEDLO COc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1-c1nn[nH]n1 ZINC000826193296 607493033 /nfs/dbraw/zinc/49/30/33/607493033.db2.gz ZEDMHMWYVGQIKO-SNVBAGLBSA-N 1 2 286.339 1.467 20 30 CDEDLO COc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1-c1nn[nH]n1 ZINC000826193296 607493034 /nfs/dbraw/zinc/49/30/34/607493034.db2.gz ZEDMHMWYVGQIKO-SNVBAGLBSA-N 1 2 286.339 1.467 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2coc(CC3CC3)n2)CC1 ZINC000956961161 613011047 /nfs/dbraw/zinc/01/10/47/613011047.db2.gz ORBOPYYZGOUPON-UHFFFAOYSA-N 1 2 287.363 1.408 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2coc(CC)n2)CC1 ZINC000981013662 613159848 /nfs/dbraw/zinc/15/98/48/613159848.db2.gz LLCURSYWXCDILB-UHFFFAOYSA-N 1 2 261.325 1.018 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2coc(CC)n2)CC1 ZINC000981013662 613159849 /nfs/dbraw/zinc/15/98/49/613159849.db2.gz LLCURSYWXCDILB-UHFFFAOYSA-N 1 2 261.325 1.018 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc(CC)s2)C(C)(C)C1 ZINC000977665466 613284635 /nfs/dbraw/zinc/28/46/35/613284635.db2.gz XCKGUYBFTXKVOK-GFCCVEGCSA-N 1 2 291.420 1.779 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc(CC)s2)C(C)(C)C1 ZINC000977665466 613284637 /nfs/dbraw/zinc/28/46/37/613284637.db2.gz XCKGUYBFTXKVOK-GFCCVEGCSA-N 1 2 291.420 1.779 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(F)nc2)C1 ZINC000949787366 613296587 /nfs/dbraw/zinc/29/65/87/613296587.db2.gz IRPGFJHZDDCQRL-UHFFFAOYSA-N 1 2 277.343 1.943 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc(OC)o2)CC1 ZINC000952382733 613321051 /nfs/dbraw/zinc/32/10/51/613321051.db2.gz HOIGMMQFMLABCK-UHFFFAOYSA-N 1 2 264.325 1.622 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c[nH]nc2C)C1 ZINC000967600624 613375629 /nfs/dbraw/zinc/37/56/29/613375629.db2.gz XMKJREIFJYUCII-RNCFNFMXSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c[nH]nc2C)C1 ZINC000967600624 613375630 /nfs/dbraw/zinc/37/56/30/613375630.db2.gz XMKJREIFJYUCII-RNCFNFMXSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC000965766345 613377541 /nfs/dbraw/zinc/37/75/41/613377541.db2.gz RPJPAECYZVBZMS-GWCFXTLKSA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC000965766345 613377542 /nfs/dbraw/zinc/37/75/42/613377542.db2.gz RPJPAECYZVBZMS-GWCFXTLKSA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cnccn2)C(C)(C)C1 ZINC000972765190 613381078 /nfs/dbraw/zinc/38/10/78/613381078.db2.gz FYOYUBXXQOMHMV-LBPRGKRZSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cnccn2)C(C)(C)C1 ZINC000972765190 613381079 /nfs/dbraw/zinc/38/10/79/613381079.db2.gz FYOYUBXXQOMHMV-LBPRGKRZSA-N 1 2 294.786 1.669 20 30 CDEDLO C=CCC[NH+]1CC(N(CC)C(=O)c2snnc2CC)C1 ZINC000950808952 613481618 /nfs/dbraw/zinc/48/16/18/613481618.db2.gz UEMITVCGFCAUDQ-UHFFFAOYSA-N 1 2 294.424 1.823 20 30 CDEDLO C=CCC[NH+]1CCN(C(=O)c2ccns2)CC1 ZINC000948592885 613511301 /nfs/dbraw/zinc/51/13/01/613511301.db2.gz ZYRDLPYPZOAUFL-UHFFFAOYSA-N 1 2 251.355 1.477 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CC[C@@H]2CCCCO2)CC1 ZINC000951108564 613561760 /nfs/dbraw/zinc/56/17/60/613561760.db2.gz XELLRTGCSAQVQB-HNNXBMFYSA-N 1 2 278.396 1.503 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2CC(C)(C)CO2)CC1 ZINC000949258234 613562572 /nfs/dbraw/zinc/56/25/72/613562572.db2.gz WADOCKISTKNZEA-CQSZACIVSA-N 1 2 278.396 1.359 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2ccc(CC)cc2)CC1 ZINC000950935420 613563215 /nfs/dbraw/zinc/56/32/15/613563215.db2.gz HSYIICSOBLSZSD-UHFFFAOYSA-N 1 2 284.403 1.959 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2cc(C)ccc2F)CC1 ZINC000957407061 613563239 /nfs/dbraw/zinc/56/32/39/613563239.db2.gz OKJYRRWQOHQVJR-UHFFFAOYSA-N 1 2 288.366 1.844 20 30 CDEDLO CC#CC[N@@H+]1C[C@H](NC(=O)c2cnns2)C(C)(C)C1 ZINC000972824905 613624008 /nfs/dbraw/zinc/62/40/08/613624008.db2.gz LDDPANBVLRCMKH-NSHDSACASA-N 1 2 278.381 1.002 20 30 CDEDLO CC#CC[N@H+]1C[C@H](NC(=O)c2cnns2)C(C)(C)C1 ZINC000972824905 613624009 /nfs/dbraw/zinc/62/40/09/613624009.db2.gz LDDPANBVLRCMKH-NSHDSACASA-N 1 2 278.381 1.002 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[C@@H](OC)C2)C1 ZINC000951572983 613653610 /nfs/dbraw/zinc/65/36/10/613653610.db2.gz CPHBVQMPYSBARI-UKRRQHHQSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC(=O)N[C@H](CC)C2)C1 ZINC000950961828 613653788 /nfs/dbraw/zinc/65/37/88/613653788.db2.gz VPKSXMNDSPIINC-QWHCGFSZSA-N 1 2 293.411 1.010 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCn3nccc32)C1 ZINC000950649542 613654486 /nfs/dbraw/zinc/65/44/86/613654486.db2.gz QBHFLBUOUYKMOS-CQSZACIVSA-N 1 2 288.395 1.479 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2cncc(OC)c2)CC1 ZINC000949209301 613708192 /nfs/dbraw/zinc/70/81/92/613708192.db2.gz VGNJOUHNEBGPBC-UHFFFAOYSA-N 1 2 289.379 1.353 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C(F)F)CC1 ZINC000948746415 613710982 /nfs/dbraw/zinc/71/09/82/613710982.db2.gz YTLYWIWVDWIOKD-NWDGAFQWSA-N 1 2 272.339 1.998 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCO[C@H](CC)C2)CC1 ZINC000957107288 613713624 /nfs/dbraw/zinc/71/36/24/613713624.db2.gz QTZXLSAYNGKJHI-UONOGXRCSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)nc(C)n2)CC1 ZINC000951725021 613714856 /nfs/dbraw/zinc/71/48/56/613714856.db2.gz SNMBMIBMFMZKAI-UHFFFAOYSA-N 1 2 260.341 1.037 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(CC)[nH]c(=O)c2)CC1 ZINC000949321833 613715009 /nfs/dbraw/zinc/71/50/09/613715009.db2.gz UVKAKDUTBSRBTH-UHFFFAOYSA-N 1 2 275.352 1.293 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccnc(OCC)c2)CC1 ZINC000950411089 613717549 /nfs/dbraw/zinc/71/75/49/613717549.db2.gz HLMQRLOXGPNOEC-UHFFFAOYSA-N 1 2 275.352 1.424 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnn(C(C)C)c2)CC1 ZINC000957301646 613718216 /nfs/dbraw/zinc/71/82/16/613718216.db2.gz NZKFMIAYPOKUQZ-UHFFFAOYSA-N 1 2 262.357 1.408 20 30 CDEDLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2csc(C#N)c2)C1 ZINC000892046750 617439428 /nfs/dbraw/zinc/43/94/28/617439428.db2.gz YBUCHORSTAGDGK-LBPRGKRZSA-N 1 2 299.421 1.133 20 30 CDEDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000892046750 617439431 /nfs/dbraw/zinc/43/94/31/617439431.db2.gz YBUCHORSTAGDGK-LBPRGKRZSA-N 1 2 299.421 1.133 20 30 CDEDLO CCN(C(=O)c1c(C)cc(C)[nH+]c1C)C1CN(CC#N)C1 ZINC000950942691 614701092 /nfs/dbraw/zinc/70/10/92/614701092.db2.gz WLTPTWRNJNTNPA-UHFFFAOYSA-N 1 2 286.379 1.677 20 30 CDEDLO C=CCCCN(CC)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000891895796 617731248 /nfs/dbraw/zinc/73/12/48/617731248.db2.gz GEWRETROYPJVKG-AWEZNQCLSA-N 1 2 283.416 1.705 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000892839950 617813270 /nfs/dbraw/zinc/81/32/70/617813270.db2.gz XELBOJWKUSZTME-SOUVJXGZSA-N 1 2 293.411 1.293 20 30 CDEDLO C=CC(C)(C)NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000892839966 617813361 /nfs/dbraw/zinc/81/33/61/617813361.db2.gz XGCMWTYVYQTAIX-VXGBXAGGSA-N 1 2 269.389 1.359 20 30 CDEDLO N#CCN(C(=O)CCCn1cc[nH+]c1)c1ccccn1 ZINC000892464050 618228499 /nfs/dbraw/zinc/22/84/99/618228499.db2.gz AKLPCUDBQUTVHQ-UHFFFAOYSA-N 1 2 269.308 1.615 20 30 CDEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000826381158 618591551 /nfs/dbraw/zinc/59/15/51/618591551.db2.gz ZKCUTDDVHWDPSP-GWCFXTLKSA-N 1 2 286.314 1.788 20 30 CDEDLO CCc1oc(C[NH2+][C@@H]2CCCN(O)C2=O)cc1C(=O)OC ZINC000895157630 619372929 /nfs/dbraw/zinc/37/29/29/619372929.db2.gz DHFKSVCPOBFPKO-LLVKDONJSA-N 1 2 296.323 1.098 20 30 CDEDLO CO[C@@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)CCO1 ZINC000895968437 619926582 /nfs/dbraw/zinc/92/65/82/619926582.db2.gz CGTARUHTXUFWEP-INIZCTEOSA-N 1 2 289.379 1.841 20 30 CDEDLO CO[C@@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CCO1 ZINC000895968437 619926586 /nfs/dbraw/zinc/92/65/86/619926586.db2.gz CGTARUHTXUFWEP-INIZCTEOSA-N 1 2 289.379 1.841 20 30 CDEDLO CCn1c[nH+]c2c1CCN(c1nc(C)cc(C#N)n1)C2 ZINC000896654519 620184454 /nfs/dbraw/zinc/18/44/54/620184454.db2.gz NFROZRYHJGDAQL-UHFFFAOYSA-N 1 2 268.324 1.436 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897307595 620483148 /nfs/dbraw/zinc/48/31/48/620483148.db2.gz RZMYCOAWROXULV-SMDDNHRTSA-N 1 2 292.383 1.091 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897307595 620483150 /nfs/dbraw/zinc/48/31/50/620483150.db2.gz RZMYCOAWROXULV-SMDDNHRTSA-N 1 2 292.383 1.091 20 30 CDEDLO C#C[C@@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C(C)C ZINC000897652773 621050870 /nfs/dbraw/zinc/05/08/70/621050870.db2.gz IBHVGBMPRMESMM-BXUZGUMPSA-N 1 2 274.368 1.564 20 30 CDEDLO C#C[C@@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C(C)C ZINC000897652773 621050877 /nfs/dbraw/zinc/05/08/77/621050877.db2.gz IBHVGBMPRMESMM-BXUZGUMPSA-N 1 2 274.368 1.564 20 30 CDEDLO C=C1CCC(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000897904333 621212076 /nfs/dbraw/zinc/21/20/76/621212076.db2.gz ANKIXLMNFVOLIZ-GASCZTMLSA-N 1 2 278.396 1.712 20 30 CDEDLO C=C1CCC(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000897904333 621212080 /nfs/dbraw/zinc/21/20/80/621212080.db2.gz ANKIXLMNFVOLIZ-GASCZTMLSA-N 1 2 278.396 1.712 20 30 CDEDLO CC#CC[NH2+]Cc1cn(-c2cccc(C)c2F)nn1 ZINC000899746874 622413223 /nfs/dbraw/zinc/41/32/23/622413223.db2.gz NHIWMROFODTSAF-UHFFFAOYSA-N 1 2 258.300 1.828 20 30 CDEDLO CCn1c[nH+]cc1/C=C1\CCc2c(cnn2C)C1=O ZINC000901458019 624275980 /nfs/dbraw/zinc/27/59/80/624275980.db2.gz VUEUUNFZPUKDLS-UXBLZVDNSA-N 1 2 256.309 1.849 20 30 CDEDLO C=C(C)CNC(=S)N[C@H](CC)C[NH+]1CCOCC1 ZINC000905656022 626903004 /nfs/dbraw/zinc/90/30/04/626903004.db2.gz BPAQSGVBLKTDCR-GFCCVEGCSA-N 1 2 271.430 1.137 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)CNc1cccc[nH+]1 ZINC000907949552 627918994 /nfs/dbraw/zinc/91/89/94/627918994.db2.gz XWAUOBIXQIFWTN-SWLSCSKDSA-N 1 2 275.352 1.591 20 30 CDEDLO CCCCCCCC[N@@H+]1CCNC(=O)[C@H]1CC(=O)OC ZINC000157345232 630594822 /nfs/dbraw/zinc/59/48/22/630594822.db2.gz CEHVZQWQQYUYCI-CYBMUJFWSA-N 1 2 284.400 1.710 20 30 CDEDLO CCCCCCCC[N@H+]1CCNC(=O)[C@H]1CC(=O)OC ZINC000157345232 630594829 /nfs/dbraw/zinc/59/48/29/630594829.db2.gz CEHVZQWQQYUYCI-CYBMUJFWSA-N 1 2 284.400 1.710 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2cc(Cl)ccc2C#N)C1 ZINC000129013029 1158921098 /nfs/dbraw/zinc/92/10/98/1158921098.db2.gz PKGKPYWIASLUGX-GFCCVEGCSA-N 1 2 266.728 1.921 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2cc(Cl)ccc2C#N)C1 ZINC000129013029 1158921100 /nfs/dbraw/zinc/92/11/00/1158921100.db2.gz PKGKPYWIASLUGX-GFCCVEGCSA-N 1 2 266.728 1.921 20 30 CDEDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cc(C)c(C#N)c(C)n1 ZINC001170338649 1162346279 /nfs/dbraw/zinc/34/62/79/1162346279.db2.gz VGEPHBPLCQBKKR-UHFFFAOYSA-N 1 2 271.324 1.271 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(C)on3)C[C@H]21 ZINC001114196748 1162449564 /nfs/dbraw/zinc/44/95/64/1162449564.db2.gz MECPHCLAURWDKH-FOLVSLTJSA-N 1 2 287.363 1.333 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C)on3)C[C@H]21 ZINC001114196748 1162449567 /nfs/dbraw/zinc/44/95/67/1162449567.db2.gz MECPHCLAURWDKH-FOLVSLTJSA-N 1 2 287.363 1.333 20 30 CDEDLO CCc1cnc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)o1 ZINC001114253855 1162461472 /nfs/dbraw/zinc/46/14/72/1162461472.db2.gz VWGHXUCHLAKPSL-HALDLXJZSA-N 1 2 299.374 1.197 20 30 CDEDLO CCc1cnc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)o1 ZINC001114253855 1162461474 /nfs/dbraw/zinc/46/14/74/1162461474.db2.gz VWGHXUCHLAKPSL-HALDLXJZSA-N 1 2 299.374 1.197 20 30 CDEDLO C=C(C)C[N@H+](C)CCS(=O)(=O)CC(=O)OC(C)(C)C ZINC000808744929 1162908118 /nfs/dbraw/zinc/90/81/18/1162908118.db2.gz FZEMNZSVUQJZTO-UHFFFAOYSA-N 1 2 291.413 1.251 20 30 CDEDLO C=C(C)C[N@@H+](C)CCS(=O)(=O)CC(=O)OC(C)(C)C ZINC000808744929 1162908121 /nfs/dbraw/zinc/90/81/21/1162908121.db2.gz FZEMNZSVUQJZTO-UHFFFAOYSA-N 1 2 291.413 1.251 20 30 CDEDLO C/C(=N\O)c1ccccc1OC[C@@H]1C[N@H+](C)CCO1 ZINC000092057616 1158784713 /nfs/dbraw/zinc/78/47/13/1158784713.db2.gz KCSUBXRBBQLNJG-YGRGUWMTSA-N 1 2 264.325 1.594 20 30 CDEDLO C/C(=N\O)c1ccccc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC000092057616 1158784716 /nfs/dbraw/zinc/78/47/16/1158784716.db2.gz KCSUBXRBBQLNJG-YGRGUWMTSA-N 1 2 264.325 1.594 20 30 CDEDLO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(C#N)nc1 ZINC001140545624 1159111185 /nfs/dbraw/zinc/11/11/85/1159111185.db2.gz HEWDUSKJISTCKP-FZMZJTMJSA-N 1 2 275.352 1.973 20 30 CDEDLO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(C#N)nc1 ZINC001140545624 1159111188 /nfs/dbraw/zinc/11/11/88/1159111188.db2.gz HEWDUSKJISTCKP-FZMZJTMJSA-N 1 2 275.352 1.973 20 30 CDEDLO N#CCc1ccc(NCCc2cc(O)c(O)cc2O)[nH+]c1 ZINC001168009184 1160222795 /nfs/dbraw/zinc/22/27/95/1160222795.db2.gz DZQFXUMOLUCRBX-UHFFFAOYSA-N 1 2 285.303 1.919 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCC2CC2)C1 ZINC001108144093 1161515894 /nfs/dbraw/zinc/51/58/94/1161515894.db2.gz JFPVGAIZSCHMAP-INIZCTEOSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCC2CC2)C1 ZINC001108144093 1161515898 /nfs/dbraw/zinc/51/58/98/1161515898.db2.gz JFPVGAIZSCHMAP-INIZCTEOSA-N 1 2 280.412 1.960 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(N3CC[C@@H](CO)C3)c2c1 ZINC001166552215 1161583865 /nfs/dbraw/zinc/58/38/65/1161583865.db2.gz LZFMDKZVEWCQGP-GFCCVEGCSA-N 1 2 253.305 1.925 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)(F)F)C1 ZINC001086571086 1162073681 /nfs/dbraw/zinc/07/36/81/1162073681.db2.gz FNBKAJVMTTYRMJ-UONOGXRCSA-N 1 2 292.329 1.859 20 30 CDEDLO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)(F)F)C1 ZINC001086571086 1162073683 /nfs/dbraw/zinc/07/36/83/1162073683.db2.gz FNBKAJVMTTYRMJ-UONOGXRCSA-N 1 2 292.329 1.859 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCOc2ccc(F)cc2)CC1 ZINC001113289819 1162148367 /nfs/dbraw/zinc/14/83/67/1162148367.db2.gz HUKGHUFVDXPMHU-UHFFFAOYSA-N 1 2 292.354 1.925 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001133142471 1163581793 /nfs/dbraw/zinc/58/17/93/1163581793.db2.gz CKYBVIPFJSMKBJ-JTQLQIEISA-N 1 2 268.386 1.661 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)c1ccccc1CC#N ZINC001643918935 1167277808 /nfs/dbraw/zinc/27/78/08/1167277808.db2.gz QDPRZKWLKWCTRB-UHFFFAOYSA-N 1 2 254.293 1.416 20 30 CDEDLO CC(=O)N(C)[C@H]1CC[N@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237618465 1167396256 /nfs/dbraw/zinc/39/62/56/1167396256.db2.gz RJVYTRRCIVDVMW-HNNXBMFYSA-N 1 2 297.362 1.259 20 30 CDEDLO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237618465 1167396259 /nfs/dbraw/zinc/39/62/59/1167396259.db2.gz RJVYTRRCIVDVMW-HNNXBMFYSA-N 1 2 297.362 1.259 20 30 CDEDLO N#CC1(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)CC1 ZINC001649784910 1169365643 /nfs/dbraw/zinc/36/56/43/1169365643.db2.gz IBIDZLRRJNYDHS-HNNXBMFYSA-N 1 2 298.390 1.856 20 30 CDEDLO N#CC1(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)CC1 ZINC001649784910 1169365651 /nfs/dbraw/zinc/36/56/51/1169365651.db2.gz IBIDZLRRJNYDHS-HNNXBMFYSA-N 1 2 298.390 1.856 20 30 CDEDLO C=CCCC(=O)N1CCC[C@@H](C[NH2+]Cc2cn[nH]n2)C1 ZINC001575085014 1171107675 /nfs/dbraw/zinc/10/76/75/1171107675.db2.gz CZIQQCCPEFTKCM-LBPRGKRZSA-N 1 2 277.372 1.099 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001588325521 1173025235 /nfs/dbraw/zinc/02/52/35/1173025235.db2.gz NTEAULHNNILYBK-VIFPVBQESA-N 1 2 259.288 1.459 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001588325521 1173025237 /nfs/dbraw/zinc/02/52/37/1173025237.db2.gz NTEAULHNNILYBK-VIFPVBQESA-N 1 2 259.288 1.459 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CC1 ZINC001588350822 1173049777 /nfs/dbraw/zinc/04/97/77/1173049777.db2.gz RCTGEZDAORPRTA-UHFFFAOYSA-N 1 2 298.306 1.373 20 30 CDEDLO C#CC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CC1 ZINC001588350822 1173049783 /nfs/dbraw/zinc/04/97/83/1173049783.db2.gz RCTGEZDAORPRTA-UHFFFAOYSA-N 1 2 298.306 1.373 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001592675161 1173966023 /nfs/dbraw/zinc/96/60/23/1173966023.db2.gz SJOOZWDXADSXJM-LLVKDONJSA-N 1 2 299.313 1.539 20 30 CDEDLO C=CC[NH+]1CCC([NH2+]Cc2cc(C(=O)[O-])n(C)c2)CC1 ZINC001602901797 1175447010 /nfs/dbraw/zinc/44/70/10/1175447010.db2.gz WMMWIJGWYOFXLC-UHFFFAOYSA-N 1 2 277.368 1.463 20 30 CDEDLO N#Cc1ccc(Cl)c(NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000127859713 1175574977 /nfs/dbraw/zinc/57/49/77/1175574977.db2.gz UJJCMDOGULSUPB-LBPRGKRZSA-N 1 2 295.770 1.317 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001604013728 1175720043 /nfs/dbraw/zinc/72/00/43/1175720043.db2.gz NOKOKGGHAMCSEB-NSHDSACASA-N 1 2 274.303 1.788 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ocnc1C ZINC001731766218 1182545745 /nfs/dbraw/zinc/54/57/45/1182545745.db2.gz URXLUNSKGWXPEF-UHFFFAOYSA-N 1 2 257.721 1.397 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ocnc1C ZINC001731766218 1182545752 /nfs/dbraw/zinc/54/57/52/1182545752.db2.gz URXLUNSKGWXPEF-UHFFFAOYSA-N 1 2 257.721 1.397 20 30 CDEDLO CC#CC[NH+]1CCN(CCCNC(=O)c2ccco2)CC1 ZINC001752335795 1184850876 /nfs/dbraw/zinc/85/08/76/1184850876.db2.gz ZRTFMLKGEZZPOH-UHFFFAOYSA-N 1 2 289.379 1.040 20 30 CDEDLO C#CCC[NH2+][C@@H](CNC(=O)C(F)C(F)(F)F)C1CC1 ZINC001752462298 1184866606 /nfs/dbraw/zinc/86/66/06/1184866606.db2.gz CLGAWWFNRYBHMC-VHSXEESVSA-N 1 2 280.265 1.395 20 30 CDEDLO C#CCC[NH2+][C@@H](CNC(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC001752462298 1184866614 /nfs/dbraw/zinc/86/66/14/1184866614.db2.gz CLGAWWFNRYBHMC-VHSXEESVSA-N 1 2 280.265 1.395 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[N@H+](C)Cc1nccnc1C ZINC001753062012 1185030479 /nfs/dbraw/zinc/03/04/79/1185030479.db2.gz RTTNWVNIMKBXOB-CQSZACIVSA-N 1 2 290.411 1.935 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[N@@H+](C)Cc1nccnc1C ZINC001753062012 1185030486 /nfs/dbraw/zinc/03/04/86/1185030486.db2.gz RTTNWVNIMKBXOB-CQSZACIVSA-N 1 2 290.411 1.935 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)CC[NH2+]Cc1cnsn1 ZINC001753194532 1185113384 /nfs/dbraw/zinc/11/33/84/1185113384.db2.gz MVVFFMDEUZOXTB-UHFFFAOYSA-N 1 2 282.413 1.688 20 30 CDEDLO C=CCC1(C(=O)NC2C[NH+]([C@@H](C)COC)C2)CCOCC1 ZINC001753391747 1185182198 /nfs/dbraw/zinc/18/21/98/1185182198.db2.gz CKCAVHDOVBDQFN-ZDUSSCGKSA-N 1 2 296.411 1.195 20 30 CDEDLO Cc1cnc([C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C#CC2CC2)o1 ZINC001754310533 1185569366 /nfs/dbraw/zinc/56/93/66/1185569366.db2.gz IUYAFMNAHSTQSJ-WCQYABFASA-N 1 2 289.379 1.894 20 30 CDEDLO Cc1cnc([C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C#CC2CC2)o1 ZINC001754310533 1185569370 /nfs/dbraw/zinc/56/93/70/1185569370.db2.gz IUYAFMNAHSTQSJ-WCQYABFASA-N 1 2 289.379 1.894 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)COc1ccc(C)cc1C ZINC001754502097 1185646369 /nfs/dbraw/zinc/64/63/69/1185646369.db2.gz CGOISUXNTVGFKO-HNNXBMFYSA-N 1 2 286.375 1.506 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)COc1ccc(C)cc1C ZINC001754502097 1185646373 /nfs/dbraw/zinc/64/63/73/1185646373.db2.gz CGOISUXNTVGFKO-HNNXBMFYSA-N 1 2 286.375 1.506 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](OC)C1CCCCC1 ZINC001754504386 1185647876 /nfs/dbraw/zinc/64/78/76/1185647876.db2.gz HXIPLOXWNJXXGN-LSDHHAIUSA-N 1 2 278.396 1.405 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](OC)C1CCCCC1 ZINC001754504386 1185647880 /nfs/dbraw/zinc/64/78/80/1185647880.db2.gz HXIPLOXWNJXXGN-LSDHHAIUSA-N 1 2 278.396 1.405 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)C2(CCC)CC2)C1 ZINC001754582079 1185675302 /nfs/dbraw/zinc/67/53/02/1185675302.db2.gz SGGMNAQMNBSLAX-UHFFFAOYSA-N 1 2 280.412 1.912 20 30 CDEDLO CCc1noc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C#CC2CC2)n1 ZINC001755258186 1185880491 /nfs/dbraw/zinc/88/04/91/1185880491.db2.gz ZTHKLZQXGQIIBZ-QWRGUYRKSA-N 1 2 290.367 1.028 20 30 CDEDLO C#CCC[NH+]1CC(CCO)(NC(=O)CC[C@H](C)CC)C1 ZINC001755337923 1185922528 /nfs/dbraw/zinc/92/25/28/1185922528.db2.gz ZKEWOFVISOYLBS-CQSZACIVSA-N 1 2 280.412 1.389 20 30 CDEDLO C=CCC1(C(=O)NC2(CCO)C[NH+](CC)C2)CCCC1 ZINC001755344853 1185924231 /nfs/dbraw/zinc/92/42/31/1185924231.db2.gz VWXFXLXTSYFEPY-UHFFFAOYSA-N 1 2 280.412 1.696 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001755422640 1185948276 /nfs/dbraw/zinc/94/82/76/1185948276.db2.gz HQHOVYQAXMVVBH-MMWGEVLESA-N 1 2 294.292 1.757 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001755422640 1185948279 /nfs/dbraw/zinc/94/82/79/1185948279.db2.gz HQHOVYQAXMVVBH-MMWGEVLESA-N 1 2 294.292 1.757 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](F)C(F)(F)F)[C@@H]2C1 ZINC001755422640 1185948282 /nfs/dbraw/zinc/94/82/82/1185948282.db2.gz HQHOVYQAXMVVBH-MMWGEVLESA-N 1 2 294.292 1.757 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](F)C(F)(F)F)[C@@H]2C1 ZINC001755422640 1185948284 /nfs/dbraw/zinc/94/82/84/1185948284.db2.gz HQHOVYQAXMVVBH-MMWGEVLESA-N 1 2 294.292 1.757 20 30 CDEDLO N#CCc1ccc(OC[C@@H](O)C[NH2+]CC(F)F)cc1 ZINC001772049491 1187026994 /nfs/dbraw/zinc/02/69/94/1187026994.db2.gz ZNOUCHPJUVVPGP-NSHDSACASA-N 1 2 270.279 1.347 20 30 CDEDLO C=CCN1CC[C@H](N(C)c2cc(NCCC)[nH+]cn2)C1=O ZINC000865754255 1164690533 /nfs/dbraw/zinc/69/05/33/1164690533.db2.gz VDHUWMCURQTBMI-LBPRGKRZSA-N 1 2 289.383 1.522 20 30 CDEDLO C=CCN1CC[C@H](N(C)c2cc(NCCC)nc[nH+]2)C1=O ZINC000865754255 1164690537 /nfs/dbraw/zinc/69/05/37/1164690537.db2.gz VDHUWMCURQTBMI-LBPRGKRZSA-N 1 2 289.383 1.522 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001633408114 1166419585 /nfs/dbraw/zinc/41/95/85/1166419585.db2.gz JMHXRIPLIYNLBG-JTQLQIEISA-N 1 2 269.308 1.136 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCO[C@H]1C ZINC001017762319 828358322 /nfs/dbraw/zinc/35/83/22/828358322.db2.gz YPNWOCXDIZVUTM-LJIGWXMPSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCO[C@H]1C ZINC001017762319 828358334 /nfs/dbraw/zinc/35/83/34/828358334.db2.gz YPNWOCXDIZVUTM-LJIGWXMPSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2nc(C3CC3)oc2C)C1 ZINC001044110375 828380239 /nfs/dbraw/zinc/38/02/39/828380239.db2.gz LWWACPCIMYTIFW-UHFFFAOYSA-N 1 2 287.363 1.640 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2sc(Cl)nc2C)C1 ZINC001014569427 828388882 /nfs/dbraw/zinc/38/88/82/828388882.db2.gz BCOHPNIOHVMPCD-VIFPVBQESA-N 1 2 283.784 1.542 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2sc(Cl)nc2C)C1 ZINC001014569427 828388891 /nfs/dbraw/zinc/38/88/91/828388891.db2.gz BCOHPNIOHVMPCD-VIFPVBQESA-N 1 2 283.784 1.542 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C1CCC(C)(C)CC1 ZINC000884143458 828389683 /nfs/dbraw/zinc/38/96/83/828389683.db2.gz IECFZVGJIURVKB-ZDUSSCGKSA-N 1 2 296.411 1.860 20 30 CDEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(=O)[nH]n1 ZINC000790161576 828396331 /nfs/dbraw/zinc/39/63/31/828396331.db2.gz IZFDXBRQMLLJII-UHFFFAOYSA-N 1 2 279.303 1.988 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2cc(F)ccc21 ZINC001038517507 828396405 /nfs/dbraw/zinc/39/64/05/828396405.db2.gz NFKZYJJHLREHQD-HOCLYGCPSA-N 1 2 286.350 1.679 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2cc(F)ccc21 ZINC001038517507 828396411 /nfs/dbraw/zinc/39/64/11/828396411.db2.gz NFKZYJJHLREHQD-HOCLYGCPSA-N 1 2 286.350 1.679 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2[nH]nnc2C)[C@H]1C ZINC000993677160 828421047 /nfs/dbraw/zinc/42/10/47/828421047.db2.gz YIPMUOSZJDSOAB-MNOVXSKESA-N 1 2 297.790 1.448 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2[nH]nnc2C)[C@H]1C ZINC000993677160 828421054 /nfs/dbraw/zinc/42/10/54/828421054.db2.gz YIPMUOSZJDSOAB-MNOVXSKESA-N 1 2 297.790 1.448 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)c3cnon3)CCC[C@@H]12 ZINC000992359827 828424875 /nfs/dbraw/zinc/42/48/75/828424875.db2.gz GSBHGTWDKDMZGB-YPMHNXCESA-N 1 2 296.758 1.549 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)c3cnon3)CCC[C@@H]12 ZINC000992359827 828424884 /nfs/dbraw/zinc/42/48/84/828424884.db2.gz GSBHGTWDKDMZGB-YPMHNXCESA-N 1 2 296.758 1.549 20 30 CDEDLO CC(C)[C@@H](C)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046069788 828435764 /nfs/dbraw/zinc/43/57/64/828435764.db2.gz IWQNDYORVMNNFT-HUUCEWRRSA-N 1 2 292.427 1.021 20 30 CDEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2[C@H](CC)C(N)=O)CC1 ZINC001038667600 828450872 /nfs/dbraw/zinc/45/08/72/828450872.db2.gz NUZMPNHGWABOFX-ZIAGYGMSSA-N 1 2 293.411 1.187 20 30 CDEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2[C@H](CC)C(N)=O)CC1 ZINC001038667600 828450887 /nfs/dbraw/zinc/45/08/87/828450887.db2.gz NUZMPNHGWABOFX-ZIAGYGMSSA-N 1 2 293.411 1.187 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001031335430 828463839 /nfs/dbraw/zinc/46/38/39/828463839.db2.gz AMEUWDSNALQWKV-UHFFFAOYSA-N 1 2 276.767 1.706 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)cc1F ZINC001032502602 822673225 /nfs/dbraw/zinc/67/32/25/822673225.db2.gz KXKGSYBNALWKPQ-RYUDHWBXSA-N 1 2 288.322 1.366 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)cc1F ZINC001032502602 822673237 /nfs/dbraw/zinc/67/32/37/822673237.db2.gz KXKGSYBNALWKPQ-RYUDHWBXSA-N 1 2 288.322 1.366 20 30 CDEDLO C#CCC1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCOCC1 ZINC000886381619 822722049 /nfs/dbraw/zinc/72/20/49/822722049.db2.gz KNQMRLAGNMGXFQ-UHFFFAOYSA-N 1 2 290.319 1.963 20 30 CDEDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000093049986 822730817 /nfs/dbraw/zinc/73/08/17/822730817.db2.gz QDZZJBJXVVUVQI-WFASDCNBSA-N 1 2 287.363 1.688 20 30 CDEDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000093049986 822730824 /nfs/dbraw/zinc/73/08/24/822730824.db2.gz QDZZJBJXVVUVQI-WFASDCNBSA-N 1 2 287.363 1.688 20 30 CDEDLO CC[C@H](CO)[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000930923165 822744229 /nfs/dbraw/zinc/74/42/29/822744229.db2.gz KASYHYYMJPEGQY-HIFRSBDPSA-N 1 2 259.353 1.710 20 30 CDEDLO CC[C@H](CO)[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000930923165 822744235 /nfs/dbraw/zinc/74/42/35/822744235.db2.gz KASYHYYMJPEGQY-HIFRSBDPSA-N 1 2 259.353 1.710 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1-c1ccoc1 ZINC001038545431 822755970 /nfs/dbraw/zinc/75/59/70/822755970.db2.gz DGDAEVKXWYIVRC-CYBMUJFWSA-N 1 2 298.346 1.117 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1-c1ccoc1 ZINC001038545431 822755981 /nfs/dbraw/zinc/75/59/81/822755981.db2.gz DGDAEVKXWYIVRC-CYBMUJFWSA-N 1 2 298.346 1.117 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC)nc1C ZINC001032654940 828486215 /nfs/dbraw/zinc/48/62/15/828486215.db2.gz MWRJHTGHXXFNHK-KBPBESRZSA-N 1 2 286.379 1.133 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC)nc1C ZINC001032654940 828486225 /nfs/dbraw/zinc/48/62/25/828486225.db2.gz MWRJHTGHXXFNHK-KBPBESRZSA-N 1 2 286.379 1.133 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1cccnc1 ZINC001017692950 828506720 /nfs/dbraw/zinc/50/67/20/828506720.db2.gz DHMFAYJKCSSOLF-IYBDPMFKSA-N 1 2 297.402 1.668 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1cccnc1 ZINC001017692950 828506734 /nfs/dbraw/zinc/50/67/34/828506734.db2.gz DHMFAYJKCSSOLF-IYBDPMFKSA-N 1 2 297.402 1.668 20 30 CDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnccn2)CC1 ZINC001004323225 828513105 /nfs/dbraw/zinc/51/31/05/828513105.db2.gz VWTFJUOTSYGAMP-OAHLLOKOSA-N 1 2 299.378 1.317 20 30 CDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnccn2)CC1 ZINC001004323225 828513115 /nfs/dbraw/zinc/51/31/15/828513115.db2.gz VWTFJUOTSYGAMP-OAHLLOKOSA-N 1 2 299.378 1.317 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCNc1ncccc1C#N ZINC000847387709 828532627 /nfs/dbraw/zinc/53/26/27/828532627.db2.gz UVNCSKIVHZZVHJ-NSHDSACASA-N 1 2 298.350 1.083 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCNc1ncccc1C#N ZINC000847387709 828532642 /nfs/dbraw/zinc/53/26/42/828532642.db2.gz UVNCSKIVHZZVHJ-NSHDSACASA-N 1 2 298.350 1.083 20 30 CDEDLO C=CCCCn1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000883991536 828544809 /nfs/dbraw/zinc/54/48/09/828544809.db2.gz HBYSYEXEJNOODI-UHFFFAOYSA-N 1 2 250.346 1.201 20 30 CDEDLO C=CCCCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867472348 828569010 /nfs/dbraw/zinc/56/90/10/828569010.db2.gz PFXXQHJJWRSJTF-SREVYHEPSA-N 1 2 252.358 1.347 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)C2(C3CC3)CCC2)C1 ZINC001043479532 823773091 /nfs/dbraw/zinc/77/30/91/823773091.db2.gz BNKSZLBZQZXCNJ-UHFFFAOYSA-N 1 2 260.381 1.733 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001030664230 823795468 /nfs/dbraw/zinc/79/54/68/823795468.db2.gz FRDWKFJUKHIPPS-LBPRGKRZSA-N 1 2 252.358 1.178 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncc(F)cc1F ZINC001017666900 823802788 /nfs/dbraw/zinc/80/27/88/823802788.db2.gz PSWDCJWKSPVROV-TXEJJXNPSA-N 1 2 293.317 1.835 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncc(F)cc1F ZINC001017666900 823802789 /nfs/dbraw/zinc/80/27/89/823802789.db2.gz PSWDCJWKSPVROV-TXEJJXNPSA-N 1 2 293.317 1.835 20 30 CDEDLO CN(C)c1ncc(C=[NH+]OCCC(F)(F)F)n1C ZINC000811649011 823859210 /nfs/dbraw/zinc/85/92/10/823859210.db2.gz XTOIMWKAWNZKIH-UHFFFAOYSA-N 1 2 264.251 1.789 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H](C)C[C@@H]1CCOC1)C(=O)OC ZINC000796015332 823862148 /nfs/dbraw/zinc/86/21/48/823862148.db2.gz ONMQAHOBIKZMJC-AGIUHOORSA-N 1 2 271.357 1.135 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001039078082 823884243 /nfs/dbraw/zinc/88/42/43/823884243.db2.gz KRXZYAZAROFZLS-OWCLPIDISA-N 1 2 286.350 1.753 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001039078082 823884246 /nfs/dbraw/zinc/88/42/46/823884246.db2.gz KRXZYAZAROFZLS-OWCLPIDISA-N 1 2 286.350 1.753 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2nc(C)oc2c1 ZINC001038367383 823922438 /nfs/dbraw/zinc/92/24/38/823922438.db2.gz OKRPAPGEJPKPMM-CYBMUJFWSA-N 1 2 283.331 1.574 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2nc(C)oc2c1 ZINC001038367383 823922453 /nfs/dbraw/zinc/92/24/53/823922453.db2.gz OKRPAPGEJPKPMM-CYBMUJFWSA-N 1 2 283.331 1.574 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1COc2ccccc2C1 ZINC001038485360 823943227 /nfs/dbraw/zinc/94/32/27/823943227.db2.gz OBGIUQYWGOMHMI-LSDHHAIUSA-N 1 2 284.359 1.061 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1COc2ccccc2C1 ZINC001038485360 823943244 /nfs/dbraw/zinc/94/32/44/823943244.db2.gz OBGIUQYWGOMHMI-LSDHHAIUSA-N 1 2 284.359 1.061 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccccc1 ZINC001050792452 828592250 /nfs/dbraw/zinc/59/22/50/828592250.db2.gz SKOPUAOTORWDKB-OAHLLOKOSA-N 1 2 274.364 1.693 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccccc1 ZINC001050792452 828592268 /nfs/dbraw/zinc/59/22/68/828592268.db2.gz SKOPUAOTORWDKB-OAHLLOKOSA-N 1 2 274.364 1.693 20 30 CDEDLO C=CCOc1cccnc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792090240 823973545 /nfs/dbraw/zinc/97/35/45/823973545.db2.gz YJZPHRAHZXQRLL-UHFFFAOYSA-N 1 2 285.303 1.981 20 30 CDEDLO O=C(C#CC1CC1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccon1 ZINC001045775796 828595149 /nfs/dbraw/zinc/59/51/49/828595149.db2.gz ROVYVMIVXLTPEW-CVEARBPZSA-N 1 2 299.374 1.653 20 30 CDEDLO O=C(C#CC1CC1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccon1 ZINC001045775796 828595154 /nfs/dbraw/zinc/59/51/54/828595154.db2.gz ROVYVMIVXLTPEW-CVEARBPZSA-N 1 2 299.374 1.653 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C(F)(F)F)CCC1 ZINC001032479836 824012006 /nfs/dbraw/zinc/01/20/06/824012006.db2.gz IZTJKPAZRSJFHX-QWRGUYRKSA-N 1 2 286.297 1.637 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C(F)(F)F)CCC1 ZINC001032479836 824012013 /nfs/dbraw/zinc/01/20/13/824012013.db2.gz IZTJKPAZRSJFHX-QWRGUYRKSA-N 1 2 286.297 1.637 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(C)C)nc1 ZINC001032444732 824031781 /nfs/dbraw/zinc/03/17/81/824031781.db2.gz KUJGEFWHXCSHJZ-GJZGRUSLSA-N 1 2 283.375 1.737 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(C)C)nc1 ZINC001032444732 824031785 /nfs/dbraw/zinc/03/17/85/824031785.db2.gz KUJGEFWHXCSHJZ-GJZGRUSLSA-N 1 2 283.375 1.737 20 30 CDEDLO C#C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1ccccc1 ZINC000869067180 824047160 /nfs/dbraw/zinc/04/71/60/824047160.db2.gz ZDCKDVMBGMVVGT-FSNWXROXSA-N 1 2 284.359 1.366 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnc(C)n1C ZINC001028098849 824062293 /nfs/dbraw/zinc/06/22/93/824062293.db2.gz WSXJNJXGIIRFFQ-LBPRGKRZSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnc(C)n1C ZINC001028098849 824062295 /nfs/dbraw/zinc/06/22/95/824062295.db2.gz WSXJNJXGIIRFFQ-LBPRGKRZSA-N 1 2 296.802 1.675 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2scnc2Cl)C1 ZINC000923585108 824066582 /nfs/dbraw/zinc/06/65/82/824066582.db2.gz KDLUKTGNPKNRCM-VIFPVBQESA-N 1 2 283.784 1.624 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2scnc2Cl)C1 ZINC000923585108 824066590 /nfs/dbraw/zinc/06/65/90/824066590.db2.gz KDLUKTGNPKNRCM-VIFPVBQESA-N 1 2 283.784 1.624 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cscn1 ZINC000960505047 824066899 /nfs/dbraw/zinc/06/68/99/824066899.db2.gz YODUHLKTDUWHKX-WCQYABFASA-N 1 2 292.408 1.726 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cscn1 ZINC000960505047 824066904 /nfs/dbraw/zinc/06/69/04/824066904.db2.gz YODUHLKTDUWHKX-WCQYABFASA-N 1 2 292.408 1.726 20 30 CDEDLO C[C@H](CNC(=O)c1cc(C#N)ccc1F)Cn1cc[nH+]c1 ZINC000828403725 824094284 /nfs/dbraw/zinc/09/42/84/824094284.db2.gz NDWYIIGKUSCFAS-LLVKDONJSA-N 1 2 286.310 1.960 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H]2CC[C@@H](C)O2)C1 ZINC001043747732 824096654 /nfs/dbraw/zinc/09/66/54/824096654.db2.gz QWKHCFAJAVFUEN-TZMCWYRMSA-N 1 2 266.385 1.663 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(=O)c2ccccc12 ZINC001038772491 824102814 /nfs/dbraw/zinc/10/28/14/824102814.db2.gz KUVIQEGAYHXJCK-GFCCVEGCSA-N 1 2 295.342 1.378 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(=O)c2ccccc12 ZINC001038772491 824102818 /nfs/dbraw/zinc/10/28/18/824102818.db2.gz KUVIQEGAYHXJCK-GFCCVEGCSA-N 1 2 295.342 1.378 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)nc1C1CC1 ZINC001038568425 824141016 /nfs/dbraw/zinc/14/10/16/824141016.db2.gz ZKWJZGDGFHQEKB-AWEZNQCLSA-N 1 2 283.375 1.705 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)nc1C1CC1 ZINC001038568425 824141024 /nfs/dbraw/zinc/14/10/24/824141024.db2.gz ZKWJZGDGFHQEKB-AWEZNQCLSA-N 1 2 283.375 1.705 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1CCC(OC)CC1 ZINC001038639018 824150765 /nfs/dbraw/zinc/15/07/65/824150765.db2.gz MAGBRKZHUXEWIS-ROKHWSDSSA-N 1 2 264.369 1.015 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1CCC(OC)CC1 ZINC001038639018 824150771 /nfs/dbraw/zinc/15/07/71/824150771.db2.gz MAGBRKZHUXEWIS-ROKHWSDSSA-N 1 2 264.369 1.015 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(F)cc1Cl ZINC001038990711 824165153 /nfs/dbraw/zinc/16/51/53/824165153.db2.gz UQIBMWRRSPSTHR-LLVKDONJSA-N 1 2 280.730 1.916 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(F)cc1Cl ZINC001038990711 824165161 /nfs/dbraw/zinc/16/51/61/824165161.db2.gz UQIBMWRRSPSTHR-LLVKDONJSA-N 1 2 280.730 1.916 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)n2c(C)ccc2C)C1 ZINC001031436913 824171659 /nfs/dbraw/zinc/17/16/59/824171659.db2.gz RBLNUDVAVYAZDY-CQSZACIVSA-N 1 2 273.380 1.490 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](CF)C1 ZINC000880293577 824185332 /nfs/dbraw/zinc/18/53/32/824185332.db2.gz BDGXSKMFPKMHNP-VIFPVBQESA-N 1 2 267.329 1.850 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](CF)C1 ZINC000880293577 824185338 /nfs/dbraw/zinc/18/53/38/824185338.db2.gz BDGXSKMFPKMHNP-VIFPVBQESA-N 1 2 267.329 1.850 20 30 CDEDLO CC(C)[C@@H]1N(C[NH+]2CCC(C#N)CC2)C(=O)[C@@]12CCCO2 ZINC000839979796 824228051 /nfs/dbraw/zinc/22/80/51/824228051.db2.gz OMLJXQMNBIROHM-GOEBONIOSA-N 1 2 291.395 1.595 20 30 CDEDLO COC(=O)C1(C#N)CCN(Cc2c[nH+]cn2C(C)C)CC1 ZINC000822486167 824229993 /nfs/dbraw/zinc/22/99/93/824229993.db2.gz ZWWWQYOUNUNDKF-UHFFFAOYSA-N 1 2 290.367 1.743 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001009569660 824241733 /nfs/dbraw/zinc/24/17/33/824241733.db2.gz AKMSHXZDKUVPOH-CYBMUJFWSA-N 1 2 281.787 1.890 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001009569660 824241743 /nfs/dbraw/zinc/24/17/43/824241743.db2.gz AKMSHXZDKUVPOH-CYBMUJFWSA-N 1 2 281.787 1.890 20 30 CDEDLO C#CCN1CC[N@H+](CC#C)[C@@H](Cc2cccc(OC)c2)C1 ZINC000886384459 824253148 /nfs/dbraw/zinc/25/31/48/824253148.db2.gz RXWHINUEIZUYKA-KRWDZBQOSA-N 1 2 282.387 1.490 20 30 CDEDLO C#CCN1CC[N@@H+](CC#C)[C@@H](Cc2cccc(OC)c2)C1 ZINC000886384459 824253156 /nfs/dbraw/zinc/25/31/56/824253156.db2.gz RXWHINUEIZUYKA-KRWDZBQOSA-N 1 2 282.387 1.490 20 30 CDEDLO C#C[C@H]([NH2+]Cc1cnc(Cl)cn1)[C@@H]1CCCO1 ZINC000799167123 824262874 /nfs/dbraw/zinc/26/28/74/824262874.db2.gz UGZOYQBKBNQFLC-QWRGUYRKSA-N 1 2 251.717 1.400 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1(C)CC(=C)C1)CO2 ZINC001053920049 824291105 /nfs/dbraw/zinc/29/11/05/824291105.db2.gz ZGOQWVNSVGQPST-CQSZACIVSA-N 1 2 290.407 1.878 20 30 CDEDLO C#CC1CC[NH+](CN2C(=O)c3cccc(N)c3C2=O)CC1 ZINC000842633686 824301667 /nfs/dbraw/zinc/30/16/67/824301667.db2.gz LXBOOQMHUCRXLY-UHFFFAOYSA-N 1 2 283.331 1.168 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2c1cccc2C ZINC000884112166 824307421 /nfs/dbraw/zinc/30/74/21/824307421.db2.gz DCPKAXOKSYHDNF-ZDUSSCGKSA-N 1 2 288.347 1.331 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(F)cc1Cl ZINC001038990714 824319808 /nfs/dbraw/zinc/31/98/08/824319808.db2.gz UQIBMWRRSPSTHR-NSHDSACASA-N 1 2 280.730 1.916 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(F)cc1Cl ZINC001038990714 824319818 /nfs/dbraw/zinc/31/98/18/824319818.db2.gz UQIBMWRRSPSTHR-NSHDSACASA-N 1 2 280.730 1.916 20 30 CDEDLO Cc1ncc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)cn1 ZINC000877745277 824320290 /nfs/dbraw/zinc/32/02/90/824320290.db2.gz NSYVPXYEICZLGL-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2ncnn2C(C)(C)C)CC1 ZINC000886778532 824424113 /nfs/dbraw/zinc/42/41/13/824424113.db2.gz FZSQDEVWBGEGKE-UHFFFAOYSA-N 1 2 278.400 1.936 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C)c1Cl ZINC001017664457 824435853 /nfs/dbraw/zinc/43/58/53/824435853.db2.gz VSBWZEKGKDDUIO-PHIMTYICSA-N 1 2 294.786 1.548 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C)c1Cl ZINC001017664457 824435863 /nfs/dbraw/zinc/43/58/63/824435863.db2.gz VSBWZEKGKDDUIO-PHIMTYICSA-N 1 2 294.786 1.548 20 30 CDEDLO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)O[NH+]=C(N)CCO ZINC000121408714 824441432 /nfs/dbraw/zinc/44/14/32/824441432.db2.gz HVOAOTFTQICSEK-NWDGAFQWSA-N 1 2 293.367 1.232 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001051162252 824445250 /nfs/dbraw/zinc/44/52/50/824445250.db2.gz RKQLXGAJGHOBCA-HRCADAONSA-N 1 2 292.423 1.816 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001051162252 824445251 /nfs/dbraw/zinc/44/52/51/824445251.db2.gz RKQLXGAJGHOBCA-HRCADAONSA-N 1 2 292.423 1.816 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2CC)C1 ZINC001015058108 824492752 /nfs/dbraw/zinc/49/27/52/824492752.db2.gz LZJLJUIUTQDHJS-SNVBAGLBSA-N 1 2 282.775 1.529 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2CC)C1 ZINC001015058108 824492758 /nfs/dbraw/zinc/49/27/58/824492758.db2.gz LZJLJUIUTQDHJS-SNVBAGLBSA-N 1 2 282.775 1.529 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(F)F ZINC001032614772 824511388 /nfs/dbraw/zinc/51/13/88/824511388.db2.gz ZGPUNFQSWVHYML-UWVGGRQHSA-N 1 2 256.296 1.196 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(F)F ZINC001032614772 824511394 /nfs/dbraw/zinc/51/13/94/824511394.db2.gz ZGPUNFQSWVHYML-UWVGGRQHSA-N 1 2 256.296 1.196 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2conc2C2CC2)C1 ZINC001043830654 828660581 /nfs/dbraw/zinc/66/05/81/828660581.db2.gz ZCNABPUZNHOURL-UHFFFAOYSA-N 1 2 273.336 1.332 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)c1ccco1 ZINC001032735935 824557402 /nfs/dbraw/zinc/55/74/02/824557402.db2.gz PAHWKNIVJDIFSV-IHRRRGAJSA-N 1 2 272.348 1.692 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)c1ccco1 ZINC001032735935 824557434 /nfs/dbraw/zinc/55/74/34/824557434.db2.gz PAHWKNIVJDIFSV-IHRRRGAJSA-N 1 2 272.348 1.692 20 30 CDEDLO C=CCC1(O)CC[NH+]([C@H](C)c2nc(C(=O)OC)co2)CC1 ZINC000886780431 824575212 /nfs/dbraw/zinc/57/52/12/824575212.db2.gz MZNUDGOSBULGBN-LLVKDONJSA-N 1 2 294.351 1.925 20 30 CDEDLO CCCC[C@@H]1NC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853523962 828667552 /nfs/dbraw/zinc/66/75/52/828667552.db2.gz JWEJXYJERYLJIR-OLZOCXBDSA-N 1 2 292.383 1.680 20 30 CDEDLO CCCC[C@@H]1NC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853523962 828667577 /nfs/dbraw/zinc/66/75/77/828667577.db2.gz JWEJXYJERYLJIR-OLZOCXBDSA-N 1 2 292.383 1.680 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2ccc(OC)c(F)c2)C1 ZINC001030632377 828668197 /nfs/dbraw/zinc/66/81/97/828668197.db2.gz RDMOKBQWRNVENB-UHFFFAOYSA-N 1 2 278.327 1.363 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nnc1CC ZINC001032484278 824796900 /nfs/dbraw/zinc/79/69/00/824796900.db2.gz HFAHAWXNDAEJJA-KBPBESRZSA-N 1 2 298.390 1.269 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nnc1CC ZINC001032484278 824796908 /nfs/dbraw/zinc/79/69/08/824796908.db2.gz HFAHAWXNDAEJJA-KBPBESRZSA-N 1 2 298.390 1.269 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CNC(C)=O ZINC001038004476 824808960 /nfs/dbraw/zinc/80/89/60/824808960.db2.gz UXHTZOFBMWCBQL-AWEZNQCLSA-N 1 2 273.336 1.277 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CNC(C)=O ZINC001038004476 824808968 /nfs/dbraw/zinc/80/89/68/824808968.db2.gz UXHTZOFBMWCBQL-AWEZNQCLSA-N 1 2 273.336 1.277 20 30 CDEDLO N#Cc1ccc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)nc1 ZINC000889233418 824845779 /nfs/dbraw/zinc/84/57/79/824845779.db2.gz WHDKLDGKLPPRHG-LLVKDONJSA-N 1 2 282.307 1.286 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccccc2-c2cn[nH]c2)C1 ZINC001030414740 824878166 /nfs/dbraw/zinc/87/81/66/824878166.db2.gz HMWHNDBEQMYSEQ-UHFFFAOYSA-N 1 2 294.358 1.514 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(COC)cs2)C1 ZINC000923551610 824888759 /nfs/dbraw/zinc/88/87/59/824888759.db2.gz AWQDIPFCVBZFMX-ZDUSSCGKSA-N 1 2 292.404 1.722 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(COC)cs2)C1 ZINC000923551610 824888761 /nfs/dbraw/zinc/88/87/61/824888761.db2.gz AWQDIPFCVBZFMX-ZDUSSCGKSA-N 1 2 292.404 1.722 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1=S ZINC000884482840 824914046 /nfs/dbraw/zinc/91/40/46/824914046.db2.gz IQSACUCGJRNAEA-NEPJUHHUSA-N 1 2 295.412 1.453 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1=S ZINC000884482840 824914056 /nfs/dbraw/zinc/91/40/56/824914056.db2.gz IQSACUCGJRNAEA-NEPJUHHUSA-N 1 2 295.412 1.453 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCCC[C@@H]2OC)C1 ZINC001031466970 824914354 /nfs/dbraw/zinc/91/43/54/824914354.db2.gz XQTNWAFTZGMCQW-KBPBESRZSA-N 1 2 266.385 1.568 20 30 CDEDLO CCC[N@@H+](CC(=O)OC)C[C@@H](O)c1ccc(C#N)cc1 ZINC000178301655 828714237 /nfs/dbraw/zinc/71/42/37/828714237.db2.gz BBNPQLPQSRIWHD-CQSZACIVSA-N 1 2 276.336 1.477 20 30 CDEDLO CCC[N@H+](CC(=O)OC)C[C@@H](O)c1ccc(C#N)cc1 ZINC000178301655 828714256 /nfs/dbraw/zinc/71/42/56/828714256.db2.gz BBNPQLPQSRIWHD-CQSZACIVSA-N 1 2 276.336 1.477 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001010358588 824988603 /nfs/dbraw/zinc/98/86/03/824988603.db2.gz IPZQIYIZQBPFHW-CVEARBPZSA-N 1 2 299.374 1.285 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001010358588 824988606 /nfs/dbraw/zinc/98/86/06/824988606.db2.gz IPZQIYIZQBPFHW-CVEARBPZSA-N 1 2 299.374 1.285 20 30 CDEDLO COC(=O)[C@](C)(CO)[NH2+]CCCCC1(C#N)CCC1 ZINC000930693809 828727144 /nfs/dbraw/zinc/72/71/44/828727144.db2.gz VZOYKDXLQRTXAI-ZDUSSCGKSA-N 1 2 268.357 1.364 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2c(C)n[nH]c2C)C1 ZINC001016237982 825019141 /nfs/dbraw/zinc/01/91/41/825019141.db2.gz MFSGNLSLKCEAGO-LBPRGKRZSA-N 1 2 296.802 1.512 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2c(C)n[nH]c2C)C1 ZINC001016237982 825019146 /nfs/dbraw/zinc/01/91/46/825019146.db2.gz MFSGNLSLKCEAGO-LBPRGKRZSA-N 1 2 296.802 1.512 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cccc2)cc1 ZINC001038469235 825025804 /nfs/dbraw/zinc/02/58/04/825025804.db2.gz QVKZCTDSKLFIMU-QGZVFWFLSA-N 1 2 293.370 1.915 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cccc2)cc1 ZINC001038469235 825025807 /nfs/dbraw/zinc/02/58/07/825025807.db2.gz QVKZCTDSKLFIMU-QGZVFWFLSA-N 1 2 293.370 1.915 20 30 CDEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](F)CC)C2)CC1 ZINC001052062682 825027982 /nfs/dbraw/zinc/02/79/82/825027982.db2.gz MSRYZBBWUCNUBS-ZIAGYGMSSA-N 1 2 283.391 1.139 20 30 CDEDLO C#CCNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066890916 825056740 /nfs/dbraw/zinc/05/67/40/825056740.db2.gz LFNPHYTZKIYJID-UHFFFAOYSA-N 1 2 254.293 1.305 20 30 CDEDLO C=CCC1(O)CC[NH+](CN2C[C@@H](C(F)F)CC2=O)CC1 ZINC000884479276 825074466 /nfs/dbraw/zinc/07/44/66/825074466.db2.gz BQYFREPUFRIBDW-NSHDSACASA-N 1 2 288.338 1.461 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000255363534 825081924 /nfs/dbraw/zinc/08/19/24/825081924.db2.gz XRZPNGLLSBVQIF-YVMONPNESA-N 1 2 299.330 1.385 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccn(C(C)(C)C)n2)C1 ZINC001042833448 825103844 /nfs/dbraw/zinc/10/38/44/825103844.db2.gz XJRMGIGOQSGKAF-UHFFFAOYSA-N 1 2 288.395 1.418 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccncc2)on1 ZINC001038642300 825120642 /nfs/dbraw/zinc/12/06/42/825120642.db2.gz HYMOWNSMRJPIOS-CYBMUJFWSA-N 1 2 296.330 1.174 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccncc2)on1 ZINC001038642300 825120662 /nfs/dbraw/zinc/12/06/62/825120662.db2.gz HYMOWNSMRJPIOS-CYBMUJFWSA-N 1 2 296.330 1.174 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC23CCC3)C1 ZINC001035527848 825143966 /nfs/dbraw/zinc/14/39/66/825143966.db2.gz ZGBYZGSWKHICNT-CHWSQXEVSA-N 1 2 264.369 1.180 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC23CCC3)C1 ZINC001035527848 825143976 /nfs/dbraw/zinc/14/39/76/825143976.db2.gz ZGBYZGSWKHICNT-CHWSQXEVSA-N 1 2 264.369 1.180 20 30 CDEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CCOC1 ZINC001038093795 825145599 /nfs/dbraw/zinc/14/55/99/825145599.db2.gz BGCDCOBUENETLZ-SJORKVTESA-N 1 2 298.386 1.265 20 30 CDEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1CCOC1 ZINC001038093795 825145605 /nfs/dbraw/zinc/14/56/05/825145605.db2.gz BGCDCOBUENETLZ-SJORKVTESA-N 1 2 298.386 1.265 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001035515274 825223546 /nfs/dbraw/zinc/22/35/46/825223546.db2.gz PIKBSJHEBSZDRM-RBSFLKMASA-N 1 2 280.412 1.672 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001035515274 825223558 /nfs/dbraw/zinc/22/35/58/825223558.db2.gz PIKBSJHEBSZDRM-RBSFLKMASA-N 1 2 280.412 1.672 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)nc2sccn21 ZINC001038406738 825254208 /nfs/dbraw/zinc/25/42/08/825254208.db2.gz PYQBTQFSVHTYGD-LLVKDONJSA-N 1 2 288.376 1.142 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)nc2sccn21 ZINC001038406738 825254222 /nfs/dbraw/zinc/25/42/22/825254222.db2.gz PYQBTQFSVHTYGD-LLVKDONJSA-N 1 2 288.376 1.142 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2ncc[nH]2)CC[C@@H]1C ZINC001071934492 825259526 /nfs/dbraw/zinc/25/95/26/825259526.db2.gz NGQXFUROMVWMCU-NWDGAFQWSA-N 1 2 296.802 1.674 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2ncc[nH]2)CC[C@@H]1C ZINC001071934492 825259536 /nfs/dbraw/zinc/25/95/36/825259536.db2.gz NGQXFUROMVWMCU-NWDGAFQWSA-N 1 2 296.802 1.674 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)cs2)C1 ZINC001035367334 825288451 /nfs/dbraw/zinc/28/84/51/825288451.db2.gz JQYIZFQHELUYKA-ZDUSSCGKSA-N 1 2 292.404 1.510 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)cs2)C1 ZINC001035367334 825288467 /nfs/dbraw/zinc/28/84/67/825288467.db2.gz JQYIZFQHELUYKA-ZDUSSCGKSA-N 1 2 292.404 1.510 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nnc1CC ZINC001017675996 828760332 /nfs/dbraw/zinc/76/03/32/828760332.db2.gz LPFPQFUUBSADSP-OKILXGFUSA-N 1 2 298.390 1.269 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nnc1CC ZINC001017675996 828760342 /nfs/dbraw/zinc/76/03/42/828760342.db2.gz LPFPQFUUBSADSP-OKILXGFUSA-N 1 2 298.390 1.269 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC ZINC001032591940 825304378 /nfs/dbraw/zinc/30/43/78/825304378.db2.gz YRGOTJJFVHDFBT-GJZGRUSLSA-N 1 2 268.360 1.781 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC ZINC001032591940 825304389 /nfs/dbraw/zinc/30/43/89/825304389.db2.gz YRGOTJJFVHDFBT-GJZGRUSLSA-N 1 2 268.360 1.781 20 30 CDEDLO Cc1cc(C(N)=[NH+]OC[C@@H]2CCNC(=O)CC2)ccc1F ZINC000842021574 825305725 /nfs/dbraw/zinc/30/57/25/825305725.db2.gz BKCGVMWNJFBBAM-NSHDSACASA-N 1 2 293.342 1.687 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncoc1C1CC1 ZINC001038882037 825323643 /nfs/dbraw/zinc/32/36/43/825323643.db2.gz LRTSFNKQNTWCBS-GFCCVEGCSA-N 1 2 273.336 1.379 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncoc1C1CC1 ZINC001038882037 825323655 /nfs/dbraw/zinc/32/36/55/825323655.db2.gz LRTSFNKQNTWCBS-GFCCVEGCSA-N 1 2 273.336 1.379 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NCc2nn(C)c(C)c2Cl)C1 ZINC000886209531 825349085 /nfs/dbraw/zinc/34/90/85/825349085.db2.gz OOCCENCKJGNMDA-GFCCVEGCSA-N 1 2 280.803 1.569 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NCc2nn(C)c(C)c2Cl)C1 ZINC000886209531 825349098 /nfs/dbraw/zinc/34/90/98/825349098.db2.gz OOCCENCKJGNMDA-GFCCVEGCSA-N 1 2 280.803 1.569 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccccn1 ZINC001050789489 825368451 /nfs/dbraw/zinc/36/84/51/825368451.db2.gz JLIPPZDNKKCQFP-CYBMUJFWSA-N 1 2 275.352 1.088 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccccn1 ZINC001050789489 825368461 /nfs/dbraw/zinc/36/84/61/825368461.db2.gz JLIPPZDNKKCQFP-CYBMUJFWSA-N 1 2 275.352 1.088 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2scnc2C(F)F)C1 ZINC001033257962 825491050 /nfs/dbraw/zinc/49/10/50/825491050.db2.gz OTOLRDYIGIWUEB-SECBINFHSA-N 1 2 299.346 1.860 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2scnc2C(F)F)C1 ZINC001033257962 825491052 /nfs/dbraw/zinc/49/10/52/825491052.db2.gz OTOLRDYIGIWUEB-SECBINFHSA-N 1 2 299.346 1.860 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001038953892 825494104 /nfs/dbraw/zinc/49/41/04/825494104.db2.gz OZLJMRRRSNMARE-CYBMUJFWSA-N 1 2 262.740 1.777 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001038953892 825494113 /nfs/dbraw/zinc/49/41/13/825494113.db2.gz OZLJMRRRSNMARE-CYBMUJFWSA-N 1 2 262.740 1.777 20 30 CDEDLO C#Cc1cncc(C(=O)NC2C[NH+](C[C@@H]3CC[C@H](C)O3)C2)c1 ZINC001030928426 825495531 /nfs/dbraw/zinc/49/55/31/825495531.db2.gz SHAHDLDSHLISMN-LRDDRELGSA-N 1 2 299.374 1.044 20 30 CDEDLO CCOC(CO[NH+]=C(N)Cc1ccc(OC)cc1)OCC ZINC000192186298 825519732 /nfs/dbraw/zinc/51/97/32/825519732.db2.gz IOSRKYDAHAHILT-UHFFFAOYSA-N 1 2 296.367 1.926 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001032673521 825524631 /nfs/dbraw/zinc/52/46/31/825524631.db2.gz WDQAZRDDVCTISG-VGWMRTNUSA-N 1 2 288.391 1.276 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001032673521 825524671 /nfs/dbraw/zinc/52/46/71/825524671.db2.gz WDQAZRDDVCTISG-VGWMRTNUSA-N 1 2 288.391 1.276 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2occc2[nH]1 ZINC001032429922 828795904 /nfs/dbraw/zinc/79/59/04/828795904.db2.gz PUABSIWVOANSQP-RYUDHWBXSA-N 1 2 283.331 1.683 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2occc2[nH]1 ZINC001032429922 828795919 /nfs/dbraw/zinc/79/59/19/828795919.db2.gz PUABSIWVOANSQP-RYUDHWBXSA-N 1 2 283.331 1.683 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccn3nccc23)C1 ZINC001043221677 825603316 /nfs/dbraw/zinc/60/33/16/825603316.db2.gz RQTPFJLZHCWYKM-UHFFFAOYSA-N 1 2 284.363 1.667 20 30 CDEDLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cn1cccc(C#N)c1=O ZINC000840156297 825643187 /nfs/dbraw/zinc/64/31/87/825643187.db2.gz DSLODYTZPSHDPW-UHFFFAOYSA-N 1 2 299.378 1.569 20 30 CDEDLO CC(C)C[N@H+](Cc1cnn(C)c1)Cn1cccc(C#N)c1=O ZINC000840156297 825643193 /nfs/dbraw/zinc/64/31/93/825643193.db2.gz DSLODYTZPSHDPW-UHFFFAOYSA-N 1 2 299.378 1.569 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(C)(C)C)cn1 ZINC001038262555 825651106 /nfs/dbraw/zinc/65/11/06/825651106.db2.gz LOSQIEXUAMRVEA-CQSZACIVSA-N 1 2 285.391 1.816 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(C)(C)C)cn1 ZINC001038262555 825651117 /nfs/dbraw/zinc/65/11/17/825651117.db2.gz LOSQIEXUAMRVEA-CQSZACIVSA-N 1 2 285.391 1.816 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ocnc1-c1ccccc1 ZINC001038333252 825658419 /nfs/dbraw/zinc/65/84/19/825658419.db2.gz QQUCOPXKPXYTDP-AWEZNQCLSA-N 1 2 295.342 1.779 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ocnc1-c1ccccc1 ZINC001038333252 825658446 /nfs/dbraw/zinc/65/84/46/825658446.db2.gz QQUCOPXKPXYTDP-AWEZNQCLSA-N 1 2 295.342 1.779 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2ccc(C)c(OC)c2)C1 ZINC001030640563 828809031 /nfs/dbraw/zinc/80/90/31/828809031.db2.gz GQAIFTAHJJQBDT-UHFFFAOYSA-N 1 2 274.364 1.533 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2scnc2Cl)C1 ZINC001033666683 828813089 /nfs/dbraw/zinc/81/30/89/828813089.db2.gz DITJHRIBVKPKEL-SNVBAGLBSA-N 1 2 297.811 1.966 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2scnc2Cl)C1 ZINC001033666683 828813090 /nfs/dbraw/zinc/81/30/90/828813090.db2.gz DITJHRIBVKPKEL-SNVBAGLBSA-N 1 2 297.811 1.966 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccnn2C)C1 ZINC001007226163 828813363 /nfs/dbraw/zinc/81/33/63/828813363.db2.gz JNFVASFTKAQWCQ-GFCCVEGCSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccnn2C)C1 ZINC001007226163 828813366 /nfs/dbraw/zinc/81/33/66/828813366.db2.gz JNFVASFTKAQWCQ-GFCCVEGCSA-N 1 2 296.802 1.296 20 30 CDEDLO C[C@H](CC(=O)OCCNc1ncccc1C#N)n1cc[nH+]c1 ZINC000845457802 828817814 /nfs/dbraw/zinc/81/78/14/828817814.db2.gz DFFCDDIIMUIFAP-GFCCVEGCSA-N 1 2 299.334 1.756 20 30 CDEDLO Cc1nc(N[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)cc[nH+]1 ZINC001056602353 825766931 /nfs/dbraw/zinc/76/69/31/825766931.db2.gz RSAUJMYSQZOXDZ-GFCCVEGCSA-N 1 2 296.334 1.311 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1=COCCC1)O2 ZINC001053578062 825771923 /nfs/dbraw/zinc/77/19/23/825771923.db2.gz YZIIXZPFOKRUDI-AWEZNQCLSA-N 1 2 292.379 1.216 20 30 CDEDLO C#CCOCCNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000784253393 825781213 /nfs/dbraw/zinc/78/12/13/825781213.db2.gz KUOZRJFQLVLYEI-UHFFFAOYSA-N 1 2 298.346 1.321 20 30 CDEDLO C#CC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000844046597 825807113 /nfs/dbraw/zinc/80/71/13/825807113.db2.gz CEOOALSFYSRTKS-ZDUSSCGKSA-N 1 2 257.337 1.317 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccn1CC ZINC001039023962 825831591 /nfs/dbraw/zinc/83/15/91/825831591.db2.gz FUGBLMIQXBDORM-ZDUSSCGKSA-N 1 2 259.353 1.335 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccn1CC ZINC001039023962 825831593 /nfs/dbraw/zinc/83/15/93/825831593.db2.gz FUGBLMIQXBDORM-ZDUSSCGKSA-N 1 2 259.353 1.335 20 30 CDEDLO C#CC(C)(C)NC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000879001603 825846106 /nfs/dbraw/zinc/84/61/06/825846106.db2.gz BUEPYKLGFGTIIS-UHFFFAOYSA-N 1 2 260.341 1.989 20 30 CDEDLO C#CCCOc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000825835261 825866255 /nfs/dbraw/zinc/86/62/55/825866255.db2.gz DRWFLPBKIFOTLV-UHFFFAOYSA-N 1 2 295.342 1.982 20 30 CDEDLO COc1cc(C)nc(N=NC(C)c2cn(C)c(C)[nH+]2)n1 ZINC000800814650 825884664 /nfs/dbraw/zinc/88/46/64/825884664.db2.gz ZHJAHQRLYOPPRU-UHFFFAOYSA-N 1 2 274.328 1.672 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3cnon3)C[C@H]21 ZINC001042275317 825964860 /nfs/dbraw/zinc/96/48/60/825964860.db2.gz APQWWHGXJPETNC-CMPLNLGQSA-N 1 2 296.758 1.359 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cnon3)C[C@H]21 ZINC001042275317 825964854 /nfs/dbraw/zinc/96/48/54/825964854.db2.gz APQWWHGXJPETNC-CMPLNLGQSA-N 1 2 296.758 1.359 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2c[nH]c3ccccc23)C1 ZINC001031298945 826000796 /nfs/dbraw/zinc/00/07/96/826000796.db2.gz FERVPYNKAVSHII-UHFFFAOYSA-N 1 2 281.359 1.534 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000846018425 826001141 /nfs/dbraw/zinc/00/11/41/826001141.db2.gz MKEZUOZJMVGDDY-NEPJUHHUSA-N 1 2 260.341 1.676 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccsn1)O2 ZINC001053615139 826041956 /nfs/dbraw/zinc/04/19/56/826041956.db2.gz BUILRJLKXQXSNQ-LLVKDONJSA-N 1 2 293.392 1.292 20 30 CDEDLO NC(=[NH+]OC[C@@H]1CCNC(=O)CC1)c1ccc(F)cc1 ZINC000842019719 826072445 /nfs/dbraw/zinc/07/24/45/826072445.db2.gz VEUOZVFZHXKBCB-JTQLQIEISA-N 1 2 279.315 1.379 20 30 CDEDLO CC(C)[C@H]([NH2+]CCO[C@H](C)C#N)C(=O)OC(C)(C)C ZINC000801941766 826079176 /nfs/dbraw/zinc/07/91/76/826079176.db2.gz VZRQCRINWKAZHT-NEPJUHHUSA-N 1 2 270.373 1.871 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c2c[nH]nc2ccc1C ZINC001032486955 826160310 /nfs/dbraw/zinc/16/03/10/826160310.db2.gz ATBABHCYKGFVBL-STQMWFEESA-N 1 2 294.358 1.403 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c2c[nH]nc2ccc1C ZINC001032486955 826160318 /nfs/dbraw/zinc/16/03/18/826160318.db2.gz ATBABHCYKGFVBL-STQMWFEESA-N 1 2 294.358 1.403 20 30 CDEDLO Cn1c[nH+]cc1CCOC(=O)c1ccc(C#N)cn1 ZINC000793237182 826162894 /nfs/dbraw/zinc/16/28/94/826162894.db2.gz GGNYOXXDIVFCRH-UHFFFAOYSA-N 1 2 256.265 1.086 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cnn(CC)c2)C1 ZINC001015975527 826165661 /nfs/dbraw/zinc/16/56/61/826165661.db2.gz RDAMKGAUOBXINC-ZDUSSCGKSA-N 1 2 296.802 1.389 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cnn(CC)c2)C1 ZINC001015975527 826165677 /nfs/dbraw/zinc/16/56/77/826165677.db2.gz RDAMKGAUOBXINC-ZDUSSCGKSA-N 1 2 296.802 1.389 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccn3ccnc23)C1 ZINC001044043459 826168761 /nfs/dbraw/zinc/16/87/61/826168761.db2.gz KUKFAJZDVQKIRQ-UHFFFAOYSA-N 1 2 282.347 1.114 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)cc(C)n2)C1 ZINC001030586323 826187889 /nfs/dbraw/zinc/18/78/89/826187889.db2.gz JQBLDEDQJSLQMZ-UHFFFAOYSA-N 1 2 257.337 1.136 20 30 CDEDLO C#CCNC(=O)C[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000786153931 826197297 /nfs/dbraw/zinc/19/72/97/826197297.db2.gz XZARZPFOGULTQB-SSDOTTSWSA-N 1 2 291.298 1.562 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1sccc1C#N ZINC000931846462 826204638 /nfs/dbraw/zinc/20/46/38/826204638.db2.gz UUWIPPNEXBVJNI-JTQLQIEISA-N 1 2 294.380 1.462 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]cc2C)C1 ZINC001035605633 826219131 /nfs/dbraw/zinc/21/91/31/826219131.db2.gz BXYCIAHZYIOWSO-ZDUSSCGKSA-N 1 2 277.368 1.330 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]cc2C)C1 ZINC001035605633 826219144 /nfs/dbraw/zinc/21/91/44/826219144.db2.gz BXYCIAHZYIOWSO-ZDUSSCGKSA-N 1 2 277.368 1.330 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2scnc21 ZINC001038258853 826228570 /nfs/dbraw/zinc/22/85/70/826228570.db2.gz HSPLOEVKASAXME-NSHDSACASA-N 1 2 285.372 1.734 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2scnc21 ZINC001038258853 826228579 /nfs/dbraw/zinc/22/85/79/826228579.db2.gz HSPLOEVKASAXME-NSHDSACASA-N 1 2 285.372 1.734 20 30 CDEDLO CC(C)C#CC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000830106591 826275051 /nfs/dbraw/zinc/27/50/51/826275051.db2.gz ISPMBGLCIDUMDM-ZIAGYGMSSA-N 1 2 259.353 1.952 20 30 CDEDLO N#CCC1(C[N@H+]2CCCC[C@H]2c2n[nH]cc2C(N)=O)CC1 ZINC000878469265 826304726 /nfs/dbraw/zinc/30/47/26/826304726.db2.gz DROIAUNXYNNAJM-LBPRGKRZSA-N 1 2 287.367 1.729 20 30 CDEDLO N#CCC1(C[N@@H+]2CCCC[C@H]2c2n[nH]cc2C(N)=O)CC1 ZINC000878469265 826304732 /nfs/dbraw/zinc/30/47/32/826304732.db2.gz DROIAUNXYNNAJM-LBPRGKRZSA-N 1 2 287.367 1.729 20 30 CDEDLO CC(C)c1cnc(C[NH2+][C@H]2CCN(C(=O)[C@H](C)C#N)C2)o1 ZINC001018629600 826310902 /nfs/dbraw/zinc/31/09/02/826310902.db2.gz ABDGCEKOOVTKSM-NEPJUHHUSA-N 1 2 290.367 1.648 20 30 CDEDLO C=C1C[NH+](C[C@H](O)COc2ccc(C(=O)OC)cc2)C1 ZINC000899899912 826320037 /nfs/dbraw/zinc/32/00/37/826320037.db2.gz DMRNJENGIOLYGJ-ZDUSSCGKSA-N 1 2 277.320 1.085 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C(F)F)n(C)n2)C1 ZINC001043347974 826328746 /nfs/dbraw/zinc/32/87/46/826328746.db2.gz NYRSPFGNAAQGFN-UHFFFAOYSA-N 1 2 296.321 1.137 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001035458516 826335542 /nfs/dbraw/zinc/33/55/42/826335542.db2.gz DKPATHHKYCWLSF-LVQVYYBASA-N 1 2 292.423 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001035458516 826335549 /nfs/dbraw/zinc/33/55/49/826335549.db2.gz DKPATHHKYCWLSF-LVQVYYBASA-N 1 2 292.423 1.816 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC001008997339 826339048 /nfs/dbraw/zinc/33/90/48/826339048.db2.gz WXVJOSXRBUKIMN-GXTWGEPZSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC001008997339 826339055 /nfs/dbraw/zinc/33/90/55/826339055.db2.gz WXVJOSXRBUKIMN-GXTWGEPZSA-N 1 2 286.803 1.746 20 30 CDEDLO COCCCO[NH+]=C(C)c1cc([N+](=O)[O-])ccc1N ZINC000814931294 826345934 /nfs/dbraw/zinc/34/59/34/826345934.db2.gz BKCAQROQXRSMBY-UHFFFAOYSA-N 1 2 267.285 1.954 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3scnc3c2)C1 ZINC001031189317 826352880 /nfs/dbraw/zinc/35/28/80/826352880.db2.gz ZXQMKMKZHXSEGN-UHFFFAOYSA-N 1 2 285.372 1.734 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+]Cc1nccn1C(C)C ZINC000850244344 826353363 /nfs/dbraw/zinc/35/33/63/826353363.db2.gz QFSBZBTZWPKPOJ-UHFFFAOYSA-N 1 2 271.386 1.154 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cncn3C)cc2C1 ZINC001054272968 826363587 /nfs/dbraw/zinc/36/35/87/826363587.db2.gz MQBCKJXYCFGCKT-UHFFFAOYSA-N 1 2 294.358 1.299 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cncn3C)cc2C1 ZINC001054272968 826363593 /nfs/dbraw/zinc/36/35/93/826363593.db2.gz MQBCKJXYCFGCKT-UHFFFAOYSA-N 1 2 294.358 1.299 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2c(C)coc2C)C1 ZINC001035351370 826369588 /nfs/dbraw/zinc/36/95/88/826369588.db2.gz CAEAQQLMANNHGO-CYBMUJFWSA-N 1 2 278.352 1.513 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2c(C)coc2C)C1 ZINC001035351370 826369589 /nfs/dbraw/zinc/36/95/89/826369589.db2.gz CAEAQQLMANNHGO-CYBMUJFWSA-N 1 2 278.352 1.513 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCC[C@@H]2C(F)F)C1 ZINC001030439460 826373824 /nfs/dbraw/zinc/37/38/24/826373824.db2.gz DUDHYQAHVBUTLY-RYUDHWBXSA-N 1 2 270.323 1.492 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2nnc3n2CCCC3)CC1 ZINC000717459707 826396817 /nfs/dbraw/zinc/39/68/17/826396817.db2.gz KMLWQTFBCLZOFL-UHFFFAOYSA-N 1 2 276.384 1.517 20 30 CDEDLO Cn1cc[nH+]c1NN=Cc1ccccc1-n1cncn1 ZINC000814918424 826417350 /nfs/dbraw/zinc/41/73/50/826417350.db2.gz PJFGAWIQGFYINN-UHFFFAOYSA-N 1 2 267.296 1.447 20 30 CDEDLO N#CC1CC[NH+](CN2C(=O)[C@]3(CCCO3)[C@@H]2C2CC2)CC1 ZINC000839979592 826496422 /nfs/dbraw/zinc/49/64/22/826496422.db2.gz MNHIQHFQUHQJCQ-HOCLYGCPSA-N 1 2 289.379 1.349 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C2CC2)ccn1 ZINC000811954560 826497941 /nfs/dbraw/zinc/49/79/41/826497941.db2.gz VOIODEDJZFQYHN-AWEZNQCLSA-N 1 2 269.348 1.995 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C2CC2)ccn1 ZINC000811954560 826497956 /nfs/dbraw/zinc/49/79/56/826497956.db2.gz VOIODEDJZFQYHN-AWEZNQCLSA-N 1 2 269.348 1.995 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C2CC2)C1 ZINC001073499223 826600624 /nfs/dbraw/zinc/60/06/24/826600624.db2.gz GSNVQDLZZYVRDG-LBPRGKRZSA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C2CC2)C1 ZINC001073499223 826600636 /nfs/dbraw/zinc/60/06/36/826600636.db2.gz GSNVQDLZZYVRDG-LBPRGKRZSA-N 1 2 272.776 1.356 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1occc1CC ZINC001038672572 826615626 /nfs/dbraw/zinc/61/56/26/826615626.db2.gz XGQKBSGMDNIYIQ-CYBMUJFWSA-N 1 2 260.337 1.669 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1occc1CC ZINC001038672572 826615651 /nfs/dbraw/zinc/61/56/51/826615651.db2.gz XGQKBSGMDNIYIQ-CYBMUJFWSA-N 1 2 260.337 1.669 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c2ncccc12 ZINC001032786837 826643898 /nfs/dbraw/zinc/64/38/98/826643898.db2.gz TUCUWGZCAQPKTR-RYUDHWBXSA-N 1 2 280.331 1.095 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c2ncccc12 ZINC001032786837 826643935 /nfs/dbraw/zinc/64/39/35/826643935.db2.gz TUCUWGZCAQPKTR-RYUDHWBXSA-N 1 2 280.331 1.095 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)n(C)n1 ZINC000877744988 826689320 /nfs/dbraw/zinc/68/93/20/826689320.db2.gz DFMZXDQLSHSGBH-UHFFFAOYSA-N 1 2 295.390 1.922 20 30 CDEDLO CCC#C[C@H](C)[NH+]1CCN(c2cc(F)ncn2)CC1 ZINC000852131921 826704458 /nfs/dbraw/zinc/70/44/58/826704458.db2.gz AUHVNMFRTKLDCR-LBPRGKRZSA-N 1 2 262.332 1.540 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2nccc3[nH]ccc32)C1 ZINC001030973916 826717140 /nfs/dbraw/zinc/71/71/40/826717140.db2.gz MCAPYKFGYNFZMR-UHFFFAOYSA-N 1 2 270.336 1.553 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001014437129 826775403 /nfs/dbraw/zinc/77/54/03/826775403.db2.gz RUJQXUFTSITQRP-OLZOCXBDSA-N 1 2 288.395 1.596 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001014437129 826775414 /nfs/dbraw/zinc/77/54/14/826775414.db2.gz RUJQXUFTSITQRP-OLZOCXBDSA-N 1 2 288.395 1.596 20 30 CDEDLO N#CCCCC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874890389 826806009 /nfs/dbraw/zinc/80/60/09/826806009.db2.gz RILWIIZDIQMURK-AWEZNQCLSA-N 1 2 275.327 1.992 20 30 CDEDLO NC(Cc1ccccc1)=[NH+]OCc1nnnn1C1CC1 ZINC000079861965 826808395 /nfs/dbraw/zinc/80/83/95/826808395.db2.gz ZZEHNYXBLGUOQH-UHFFFAOYSA-N 1 2 272.312 1.040 20 30 CDEDLO C=CCCS(=O)(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000120089767 826814983 /nfs/dbraw/zinc/81/49/83/826814983.db2.gz NAHPVAWGWXQQPD-UHFFFAOYSA-N 1 2 284.381 1.703 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ncn3ccc(C)cc23)C1 ZINC001030580571 826822508 /nfs/dbraw/zinc/82/25/08/826822508.db2.gz DVBOQATYBFHQLZ-UHFFFAOYSA-N 1 2 284.363 1.633 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(F)ccc1OC ZINC001038569570 826823385 /nfs/dbraw/zinc/82/33/85/826823385.db2.gz CUIVRHUKFOBVAM-ZDUSSCGKSA-N 1 2 290.338 1.662 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)ccc1OC ZINC001038569570 826823386 /nfs/dbraw/zinc/82/33/86/826823386.db2.gz CUIVRHUKFOBVAM-ZDUSSCGKSA-N 1 2 290.338 1.662 20 30 CDEDLO C#CCCCS[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000808363529 826834337 /nfs/dbraw/zinc/83/43/37/826834337.db2.gz KBQOPAVOLPCMHZ-CYBMUJFWSA-N 1 2 268.426 1.686 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2oc(CC)nc2C)CC1 ZINC000989413825 826839635 /nfs/dbraw/zinc/83/96/35/826839635.db2.gz BJFBVIZFIVIXGN-UHFFFAOYSA-N 1 2 275.352 1.327 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2oc(CC)nc2C)CC1 ZINC000989413825 826839637 /nfs/dbraw/zinc/83/96/37/826839637.db2.gz BJFBVIZFIVIXGN-UHFFFAOYSA-N 1 2 275.352 1.327 20 30 CDEDLO COc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1F ZINC000819408656 826848697 /nfs/dbraw/zinc/84/86/97/826848697.db2.gz AVMCLLFZGUSVCJ-GFCCVEGCSA-N 1 2 281.331 1.453 20 30 CDEDLO COc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1F ZINC000819408656 826848698 /nfs/dbraw/zinc/84/86/98/826848698.db2.gz AVMCLLFZGUSVCJ-GFCCVEGCSA-N 1 2 281.331 1.453 20 30 CDEDLO Cc1cc([NH+](C)C)ccc1NC[C@@H](O)CN(C)CCC#N ZINC000819409725 826852971 /nfs/dbraw/zinc/85/29/71/826852971.db2.gz ULTNDQARFJCZFE-OAHLLOKOSA-N 1 2 290.411 1.679 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccsc2C)C1 ZINC001035363173 826860723 /nfs/dbraw/zinc/86/07/23/826860723.db2.gz ZMEQSKCNOUVQMR-CYBMUJFWSA-N 1 2 292.404 1.510 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccsc2C)C1 ZINC001035363173 826860724 /nfs/dbraw/zinc/86/07/24/826860724.db2.gz ZMEQSKCNOUVQMR-CYBMUJFWSA-N 1 2 292.404 1.510 20 30 CDEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cnco1 ZINC001015444568 826863421 /nfs/dbraw/zinc/86/34/21/826863421.db2.gz SUKVQEANGVPVBH-HNNXBMFYSA-N 1 2 295.342 1.530 20 30 CDEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cnco1 ZINC001015444568 826863422 /nfs/dbraw/zinc/86/34/22/826863422.db2.gz SUKVQEANGVPVBH-HNNXBMFYSA-N 1 2 295.342 1.530 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c(F)cccc2OC)C1 ZINC001030359693 826866724 /nfs/dbraw/zinc/86/67/24/826866724.db2.gz OVLJPKPMSBZZOW-UHFFFAOYSA-N 1 2 276.311 1.272 20 30 CDEDLO CO[C@H](C)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004358204 826874169 /nfs/dbraw/zinc/87/41/69/826874169.db2.gz NIBYPZJTUWTBNU-TZMCWYRMSA-N 1 2 279.384 1.248 20 30 CDEDLO CO[C@H](C)C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004358204 826874172 /nfs/dbraw/zinc/87/41/72/826874172.db2.gz NIBYPZJTUWTBNU-TZMCWYRMSA-N 1 2 279.384 1.248 20 30 CDEDLO C=C(C)CONC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000845603433 826881469 /nfs/dbraw/zinc/88/14/69/826881469.db2.gz KAEJSBOILUCPLH-NSHDSACASA-N 1 2 264.329 1.427 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2c(C)nn(C)c2Cl)C1 ZINC001043229964 826882109 /nfs/dbraw/zinc/88/21/09/826882109.db2.gz UNXZMTHHODVVGK-UHFFFAOYSA-N 1 2 296.802 1.253 20 30 CDEDLO CC(C)[C@H]1C[N@H+](Cn2cccc(C#N)c2=O)CCCO1 ZINC000840098103 826884252 /nfs/dbraw/zinc/88/42/52/826884252.db2.gz XPGZWKDMCJJAKD-CQSZACIVSA-N 1 2 275.352 1.424 20 30 CDEDLO CC(C)[C@H]1C[N@@H+](Cn2cccc(C#N)c2=O)CCCO1 ZINC000840098103 826884253 /nfs/dbraw/zinc/88/42/53/826884253.db2.gz XPGZWKDMCJJAKD-CQSZACIVSA-N 1 2 275.352 1.424 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2nccc(C)n2)C1 ZINC001046284824 826885422 /nfs/dbraw/zinc/88/54/22/826885422.db2.gz VKQXVYXNIKEEPK-CQSZACIVSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2nccc(C)n2)C1 ZINC001046284824 826885423 /nfs/dbraw/zinc/88/54/23/826885423.db2.gz VKQXVYXNIKEEPK-CQSZACIVSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCOC2)C1 ZINC001046191300 826892036 /nfs/dbraw/zinc/89/20/36/826892036.db2.gz XNOBXOWQBVCDKK-JSGCOSHPSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCOC2)C1 ZINC001046191300 826892037 /nfs/dbraw/zinc/89/20/37/826892037.db2.gz XNOBXOWQBVCDKK-JSGCOSHPSA-N 1 2 286.803 1.746 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(OC)c1 ZINC001032750682 827038325 /nfs/dbraw/zinc/03/83/25/827038325.db2.gz QAFXIRVYNXGCKT-KBPBESRZSA-N 1 2 270.332 1.227 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(OC)c1 ZINC001032750682 827038337 /nfs/dbraw/zinc/03/83/37/827038337.db2.gz QAFXIRVYNXGCKT-KBPBESRZSA-N 1 2 270.332 1.227 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C/C=C\C)C1 ZINC000884447079 827073749 /nfs/dbraw/zinc/07/37/49/827073749.db2.gz KPUVQNSKKGIPOR-FJDWXNHUSA-N 1 2 294.395 1.638 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(CC)s2)C1 ZINC001015149128 827153517 /nfs/dbraw/zinc/15/35/17/827153517.db2.gz MVUOCDFISHAMIE-NSHDSACASA-N 1 2 262.378 1.748 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC)s2)C1 ZINC001015149128 827153525 /nfs/dbraw/zinc/15/35/25/827153525.db2.gz MVUOCDFISHAMIE-NSHDSACASA-N 1 2 262.378 1.748 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(C)(C)C ZINC001032476339 827168851 /nfs/dbraw/zinc/16/88/51/827168851.db2.gz IJBBZHWEBQPMTP-RDBSUJKOSA-N 1 2 262.397 1.977 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(C)(C)C ZINC001032476339 827168855 /nfs/dbraw/zinc/16/88/55/827168855.db2.gz IJBBZHWEBQPMTP-RDBSUJKOSA-N 1 2 262.397 1.977 20 30 CDEDLO C#CCO[C@@H](C)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000822888584 827225770 /nfs/dbraw/zinc/22/57/70/827225770.db2.gz VREMYQOJAHBGOX-LBPRGKRZSA-N 1 2 276.336 1.362 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)nc[nH]c2=O)C1 ZINC001015594816 827245129 /nfs/dbraw/zinc/24/51/29/827245129.db2.gz CMKVOWKURKYLLK-JTQLQIEISA-N 1 2 296.758 1.047 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)CC)CCO2 ZINC001053160238 827287716 /nfs/dbraw/zinc/28/77/16/827287716.db2.gz HMOCUYMPLPVAGK-ZDUSSCGKSA-N 1 2 266.385 1.522 20 30 CDEDLO C#C[C@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)[C@@H]1CCCO1 ZINC000775798653 827309670 /nfs/dbraw/zinc/30/96/70/827309670.db2.gz HYSIKRGRMSDXFS-JYJNAYRXSA-N 1 2 286.375 1.586 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2csnn2)C(C)(C)C1 ZINC000995569476 827362737 /nfs/dbraw/zinc/36/27/37/827362737.db2.gz AHARRXYRXLJKHQ-ONGXEEELSA-N 1 2 293.396 1.024 20 30 CDEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](F)C(C)C)C2)CC1 ZINC001052067798 827395966 /nfs/dbraw/zinc/39/59/66/827395966.db2.gz OIYYKARRLYSNKM-LSDHHAIUSA-N 1 2 297.418 1.385 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C)nc2)C1 ZINC001035291935 827412702 /nfs/dbraw/zinc/41/27/02/827412702.db2.gz ZLZGOGDQPMXEHQ-OAHLLOKOSA-N 1 2 289.379 1.397 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(C)nc2)C1 ZINC001035291935 827412722 /nfs/dbraw/zinc/41/27/22/827412722.db2.gz ZLZGOGDQPMXEHQ-OAHLLOKOSA-N 1 2 289.379 1.397 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1oc(C2CC2)nc1C ZINC001038798415 827449700 /nfs/dbraw/zinc/44/97/00/827449700.db2.gz GRDJIXPYLJAWBG-ZDUSSCGKSA-N 1 2 287.363 1.688 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1oc(C2CC2)nc1C ZINC001038798415 827449717 /nfs/dbraw/zinc/44/97/17/827449717.db2.gz GRDJIXPYLJAWBG-ZDUSSCGKSA-N 1 2 287.363 1.688 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccsc1 ZINC001032624065 827563081 /nfs/dbraw/zinc/56/30/81/827563081.db2.gz WYMWIXLUVFRHON-XBFCOCLRSA-N 1 2 274.389 1.770 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccsc1 ZINC001032624065 827563088 /nfs/dbraw/zinc/56/30/88/827563088.db2.gz WYMWIXLUVFRHON-XBFCOCLRSA-N 1 2 274.389 1.770 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001038285872 827719439 /nfs/dbraw/zinc/71/94/39/827719439.db2.gz FOWBRINBHYUEOZ-LSDHHAIUSA-N 1 2 260.381 1.947 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001038285872 827719458 /nfs/dbraw/zinc/71/94/58/827719458.db2.gz FOWBRINBHYUEOZ-LSDHHAIUSA-N 1 2 260.381 1.947 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCc2ccc(NC(C)=O)cc2C1 ZINC000880029010 827776683 /nfs/dbraw/zinc/77/66/83/827776683.db2.gz NVSRZYBEUWKGKB-LBPRGKRZSA-N 1 2 299.374 1.141 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCc2ccc(NC(C)=O)cc2C1 ZINC000880029010 827776685 /nfs/dbraw/zinc/77/66/85/827776685.db2.gz NVSRZYBEUWKGKB-LBPRGKRZSA-N 1 2 299.374 1.141 20 30 CDEDLO Cc1nc(NCC2CCN(C(=O)[C@H](C)C#N)CC2)cc[nH+]1 ZINC001057479351 827810329 /nfs/dbraw/zinc/81/03/29/827810329.db2.gz RIEWYULISWFNDT-LLVKDONJSA-N 1 2 287.367 1.595 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCO[C@@H]2C)C1 ZINC001032075628 827812662 /nfs/dbraw/zinc/81/26/62/827812662.db2.gz GWQONISXETZSLU-PWSUYJOCSA-N 1 2 272.776 1.212 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(Cl)cnn1C ZINC001017557952 827821133 /nfs/dbraw/zinc/82/11/33/827821133.db2.gz NGTQRNRLHAGAMJ-PHIMTYICSA-N 1 2 294.786 1.548 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(Cl)cnn1C ZINC001017557952 827821135 /nfs/dbraw/zinc/82/11/35/827821135.db2.gz NGTQRNRLHAGAMJ-PHIMTYICSA-N 1 2 294.786 1.548 20 30 CDEDLO C#CCCCC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000192051991 827833507 /nfs/dbraw/zinc/83/35/07/827833507.db2.gz PNVNZYNIULTFTN-UHFFFAOYSA-N 1 2 252.358 1.017 20 30 CDEDLO C#CCCCC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000192051991 827833509 /nfs/dbraw/zinc/83/35/09/827833509.db2.gz PNVNZYNIULTFTN-UHFFFAOYSA-N 1 2 252.358 1.017 20 30 CDEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2C)C1 ZINC001047283951 827866983 /nfs/dbraw/zinc/86/69/83/827866983.db2.gz ZDJKDUUSNPIPEU-STQMWFEESA-N 1 2 292.404 1.197 20 30 CDEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2C)C1 ZINC001047283951 827866984 /nfs/dbraw/zinc/86/69/84/827866984.db2.gz ZDJKDUUSNPIPEU-STQMWFEESA-N 1 2 292.404 1.197 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCC[C@@H](CC)C1 ZINC000884144178 827875362 /nfs/dbraw/zinc/87/53/62/827875362.db2.gz DDDXRPDQRRKGRT-AGIUHOORSA-N 1 2 282.384 1.518 20 30 CDEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3(CC)CC3)C2)CC1 ZINC001052080081 827881917 /nfs/dbraw/zinc/88/19/17/827881917.db2.gz WIKXUDMMZNGALG-OAHLLOKOSA-N 1 2 289.423 1.028 20 30 CDEDLO Oc1ccc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)c(F)c1F ZINC000884442768 827891889 /nfs/dbraw/zinc/89/18/89/827891889.db2.gz PUBLXMWVXZKERT-UWVGGRQHSA-N 1 2 294.305 1.864 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(C)C)n(C)n1 ZINC001038251449 827896399 /nfs/dbraw/zinc/89/63/99/827896399.db2.gz BGVMIEHABQXXKC-ZDUSSCGKSA-N 1 2 288.395 1.371 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(C)C)n(C)n1 ZINC001038251449 827896400 /nfs/dbraw/zinc/89/64/00/827896400.db2.gz BGVMIEHABQXXKC-ZDUSSCGKSA-N 1 2 288.395 1.371 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2coc3c2cccc3OC)C1 ZINC001030318548 828004868 /nfs/dbraw/zinc/00/48/68/828004868.db2.gz HIYKKULGZQWSMP-UHFFFAOYSA-N 1 2 298.342 1.879 20 30 CDEDLO COc1ccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1C#N ZINC000830413598 828022006 /nfs/dbraw/zinc/02/20/06/828022006.db2.gz YDDVZXBIJNIVIN-NSHDSACASA-N 1 2 296.330 1.964 20 30 CDEDLO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1snnc1C(C)C ZINC001038841296 828029905 /nfs/dbraw/zinc/02/99/05/828029905.db2.gz AVTWHRMKBLQTGE-NSHDSACASA-N 1 2 292.408 1.489 20 30 CDEDLO C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1snnc1C(C)C ZINC001038841296 828029917 /nfs/dbraw/zinc/02/99/17/828029917.db2.gz AVTWHRMKBLQTGE-NSHDSACASA-N 1 2 292.408 1.489 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001034108816 828036153 /nfs/dbraw/zinc/03/61/53/828036153.db2.gz GACYWJMZUVCFCX-NSHDSACASA-N 1 2 282.775 1.747 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001034108816 828036164 /nfs/dbraw/zinc/03/61/64/828036164.db2.gz GACYWJMZUVCFCX-NSHDSACASA-N 1 2 282.775 1.747 20 30 CDEDLO C[C@@]1(C#N)CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC000887679403 828084292 /nfs/dbraw/zinc/08/42/92/828084292.db2.gz WYZNLJWOMKTAOC-CQSZACIVSA-N 1 2 270.292 1.089 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC001031036512 828095822 /nfs/dbraw/zinc/09/58/22/828095822.db2.gz GHEXDVSGFOBHGM-HNNXBMFYSA-N 1 2 290.338 1.506 20 30 CDEDLO CCOCCO[NH+]=C(N)Cc1ccc(OC)c(OC)c1 ZINC000181609118 828099447 /nfs/dbraw/zinc/09/94/47/828099447.db2.gz MISSWTXRCCEVEX-UHFFFAOYSA-N 1 2 282.340 1.572 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2F)C1 ZINC001035273147 828099877 /nfs/dbraw/zinc/09/98/77/828099877.db2.gz JHJMDZASMOLMTB-ZDUSSCGKSA-N 1 2 290.338 1.280 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2F)C1 ZINC001035273147 828099884 /nfs/dbraw/zinc/09/98/84/828099884.db2.gz JHJMDZASMOLMTB-ZDUSSCGKSA-N 1 2 290.338 1.280 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001031600145 828238322 /nfs/dbraw/zinc/23/83/22/828238322.db2.gz KABDLPDYSSKDBN-UHFFFAOYSA-N 1 2 281.743 1.201 20 30 CDEDLO Cc1ccc(C#N)cc1C(=O)NCCCn1cc[nH+]c1 ZINC000929156192 828291386 /nfs/dbraw/zinc/29/13/86/828291386.db2.gz IXOFDJSZBJPEKW-UHFFFAOYSA-N 1 2 268.320 1.883 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2csc(C3CC3)n2)C1 ZINC001031473770 828322518 /nfs/dbraw/zinc/32/25/18/828322518.db2.gz KNAVDDOTVFBYTP-UHFFFAOYSA-N 1 2 275.377 1.458 20 30 CDEDLO C#CC[NH+]1CCN(C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173482409 912559928 /nfs/dbraw/zinc/55/99/28/912559928.db2.gz FWAIJHBYQKLLNT-UHFFFAOYSA-N 1 2 276.330 1.683 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1scnc1C)C2 ZINC001095203564 912604550 /nfs/dbraw/zinc/60/45/50/912604550.db2.gz XGZLIGHQJHIDBZ-WOPDTQHZSA-N 1 2 275.377 1.420 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1scnc1C)C2 ZINC001095203564 912604562 /nfs/dbraw/zinc/60/45/62/912604562.db2.gz XGZLIGHQJHIDBZ-WOPDTQHZSA-N 1 2 275.377 1.420 20 30 CDEDLO CC(C)C[C@H](C#N)[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173750205 912787715 /nfs/dbraw/zinc/78/77/15/912787715.db2.gz HUJMAGATQZVELK-UPJWGTAASA-N 1 2 262.361 1.685 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccns1 ZINC001233947893 913152335 /nfs/dbraw/zinc/15/23/35/913152335.db2.gz OVMSCSILBNHYNV-ZDUSSCGKSA-N 1 2 291.420 1.979 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccns1 ZINC001233947893 913152343 /nfs/dbraw/zinc/15/23/43/913152343.db2.gz OVMSCSILBNHYNV-ZDUSSCGKSA-N 1 2 291.420 1.979 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](OCC)C(C)C ZINC001234234670 913380777 /nfs/dbraw/zinc/38/07/77/913380777.db2.gz JZOIWHWJGQEPTC-KBPBESRZSA-N 1 2 266.385 1.213 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](OCC)C(C)C ZINC001234234670 913380793 /nfs/dbraw/zinc/38/07/93/913380793.db2.gz JZOIWHWJGQEPTC-KBPBESRZSA-N 1 2 266.385 1.213 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC(F)F)C1 ZINC001208081697 894016636 /nfs/dbraw/zinc/01/66/36/894016636.db2.gz ROWLXSQEEVRRLW-PSASIEDQSA-N 1 2 296.745 1.457 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC(F)F)C1 ZINC001208081697 894016649 /nfs/dbraw/zinc/01/66/49/894016649.db2.gz ROWLXSQEEVRRLW-PSASIEDQSA-N 1 2 296.745 1.457 20 30 CDEDLO C=CCC(C)(C)C(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001167360320 895433903 /nfs/dbraw/zinc/43/39/03/895433903.db2.gz QLTPMWWDJDDGCC-UHFFFAOYSA-N 1 2 294.399 1.830 20 30 CDEDLO C=C(C)C(=O)NCCCNc1ccc2c([nH+]1)CCOC2 ZINC001167666552 897312483 /nfs/dbraw/zinc/31/24/83/897312483.db2.gz ROMQABQUIACHCM-UHFFFAOYSA-N 1 2 275.352 1.649 20 30 CDEDLO C=CCCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(F)F)C[C@H]21 ZINC001176871591 914314986 /nfs/dbraw/zinc/31/49/86/914314986.db2.gz MNHHDAKNKOKCMO-VXGBXAGGSA-N 1 2 288.338 1.519 20 30 CDEDLO C=CCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(F)F)C[C@H]21 ZINC001176871591 914315000 /nfs/dbraw/zinc/31/50/00/914315000.db2.gz MNHHDAKNKOKCMO-VXGBXAGGSA-N 1 2 288.338 1.519 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCSC)C[C@@H]21 ZINC001176906256 914387153 /nfs/dbraw/zinc/38/71/53/914387153.db2.gz GWSMWIMMDCPKJP-UONOGXRCSA-N 1 2 298.452 1.617 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCSC)C[C@@H]21 ZINC001176906256 914387173 /nfs/dbraw/zinc/38/71/73/914387173.db2.gz GWSMWIMMDCPKJP-UONOGXRCSA-N 1 2 298.452 1.617 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)COC(C)C)C[C@@H]21 ZINC001176962484 914401479 /nfs/dbraw/zinc/40/14/79/914401479.db2.gz JBVJGNBRAKIDET-GJZGRUSLSA-N 1 2 296.411 1.289 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)COC(C)C)C[C@@H]21 ZINC001176962484 914401484 /nfs/dbraw/zinc/40/14/84/914401484.db2.gz JBVJGNBRAKIDET-GJZGRUSLSA-N 1 2 296.411 1.289 20 30 CDEDLO N#C[C@H]1CC[C@H](Nc2cc3c(c[nH+]2)OCC(=O)N3)CC1 ZINC001167841560 901304446 /nfs/dbraw/zinc/30/44/46/901304446.db2.gz XYHNBDCAEVTIHY-MGCOHNPYSA-N 1 2 272.308 1.907 20 30 CDEDLO CNc1ccc(Nc2ncnc(OC)c2C#N)c[nH+]1 ZINC001203454638 914567573 /nfs/dbraw/zinc/56/75/73/914567573.db2.gz HXBIKXJJOLIUAH-UHFFFAOYSA-N 1 2 256.269 1.537 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2c(C)c[nH]c2C)CC1 ZINC001177587808 914778915 /nfs/dbraw/zinc/77/89/15/914778915.db2.gz IMZOKWYFGNHQFH-UHFFFAOYSA-N 1 2 275.396 1.894 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccon2)[C@H]1C ZINC001088478429 907408089 /nfs/dbraw/zinc/40/80/89/907408089.db2.gz ZTJCFUBMEKQFLX-ZJUUUORDSA-N 1 2 269.732 1.620 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccon2)[C@H]1C ZINC001088478429 907408096 /nfs/dbraw/zinc/40/80/96/907408096.db2.gz ZTJCFUBMEKQFLX-ZJUUUORDSA-N 1 2 269.732 1.620 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cocn2)[C@H]1C ZINC001088491648 907491316 /nfs/dbraw/zinc/49/13/16/907491316.db2.gz LRDZMYAMIOTEPX-ZJUUUORDSA-N 1 2 269.732 1.620 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cocn2)[C@H]1C ZINC001088491648 907491322 /nfs/dbraw/zinc/49/13/22/907491322.db2.gz LRDZMYAMIOTEPX-ZJUUUORDSA-N 1 2 269.732 1.620 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(COC)c1 ZINC001038472466 907733083 /nfs/dbraw/zinc/73/30/83/907733083.db2.gz ZAWMUSWIYRMTQF-INIZCTEOSA-N 1 2 286.375 1.660 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(COC)c1 ZINC001038472466 907733094 /nfs/dbraw/zinc/73/30/94/907733094.db2.gz ZAWMUSWIYRMTQF-INIZCTEOSA-N 1 2 286.375 1.660 20 30 CDEDLO COC(=O)[C@@H](Cc1cccnc1)[NH2+][C@@H](C)CCCC#N ZINC001172491714 911727183 /nfs/dbraw/zinc/72/71/83/911727183.db2.gz OVYXEIHMHASURF-GXTWGEPZSA-N 1 2 275.352 1.838 20 30 CDEDLO CCOC(=O)[C@@H]([NH3+])Cc1cn([C@H](C)CCCC#N)cn1 ZINC001172492501 911729533 /nfs/dbraw/zinc/72/95/33/911729533.db2.gz SEUYIEGEHLRQBJ-YPMHNXCESA-N 1 2 278.356 1.571 20 30 CDEDLO C[C@H](CCCC#N)[N@@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001172509387 911740766 /nfs/dbraw/zinc/74/07/66/911740766.db2.gz KVXKFIKXIBOQOU-CYBMUJFWSA-N 1 2 272.352 1.813 20 30 CDEDLO C[C@H](CCCC#N)[N@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001172509387 911740772 /nfs/dbraw/zinc/74/07/72/911740772.db2.gz KVXKFIKXIBOQOU-CYBMUJFWSA-N 1 2 272.352 1.813 20 30 CDEDLO Cc1[nH]c(NC(=O)[C@@H](C)n2cc[nH+]c2)c(C#N)c1C ZINC001177922577 915036322 /nfs/dbraw/zinc/03/63/22/915036322.db2.gz XBWBFFZEHGIUJY-SNVBAGLBSA-N 1 2 257.297 1.899 20 30 CDEDLO COc1cccc(NC(=O)[C@@H](C)n2cc[nH+]c2)c1C#N ZINC001177926471 915043874 /nfs/dbraw/zinc/04/38/74/915043874.db2.gz JDAGEFJRDAXXJS-SNVBAGLBSA-N 1 2 270.292 1.963 20 30 CDEDLO N#C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC001178100533 915169408 /nfs/dbraw/zinc/16/94/08/915169408.db2.gz XANHKLKOCNKSRX-UONOGXRCSA-N 1 2 280.331 1.827 20 30 CDEDLO N#Cc1ccc(CNC(=O)Cc2cc[nH+]c(N)c2)cc1F ZINC001181278886 916959657 /nfs/dbraw/zinc/95/96/57/916959657.db2.gz BTQCGJFMMXJJEO-UHFFFAOYSA-N 1 2 284.294 1.533 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc(COC)cc2)CC1 ZINC001182202026 917720822 /nfs/dbraw/zinc/72/08/22/917720822.db2.gz XQDPCZUUTPKRBM-UHFFFAOYSA-N 1 2 288.391 1.706 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc(C)no2)C1 ZINC001182220767 917728686 /nfs/dbraw/zinc/72/86/86/917728686.db2.gz QMFUFFYUBADNIW-DGCLKSJQSA-N 1 2 290.367 1.433 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC[NH2+][C@@H](C)c1ncc(C(C)(C)C)o1 ZINC001124901841 917751804 /nfs/dbraw/zinc/75/18/04/917751804.db2.gz DGPWUKROHVUEPX-QWRGUYRKSA-N 1 2 292.383 1.899 20 30 CDEDLO CC(C)(C)C#CC(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001182458517 917895439 /nfs/dbraw/zinc/89/54/39/917895439.db2.gz IVLIKDZGPZRZOF-LLVKDONJSA-N 1 2 292.408 1.278 20 30 CDEDLO C=CCOCC[NH2+][C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001182718139 918066736 /nfs/dbraw/zinc/06/67/36/918066736.db2.gz CAKGPCFDWZUGGT-ZJUUUORDSA-N 1 2 298.280 1.280 20 30 CDEDLO C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001182718139 918066746 /nfs/dbraw/zinc/06/67/46/918066746.db2.gz CAKGPCFDWZUGGT-ZJUUUORDSA-N 1 2 298.280 1.280 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C2(C)CC2)C1 ZINC001077661022 918654029 /nfs/dbraw/zinc/65/40/29/918654029.db2.gz DXEMWNHUNYPQNJ-HZPDHXFCSA-N 1 2 298.386 1.146 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C2(C)CC2)C1 ZINC001077661022 918654039 /nfs/dbraw/zinc/65/40/39/918654039.db2.gz DXEMWNHUNYPQNJ-HZPDHXFCSA-N 1 2 298.386 1.146 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccsc2)C1 ZINC001107726031 918697672 /nfs/dbraw/zinc/69/76/72/918697672.db2.gz KRTUQRRKRRABPI-CQSZACIVSA-N 1 2 280.393 1.755 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccsc2)C1 ZINC001107726031 918697686 /nfs/dbraw/zinc/69/76/86/918697686.db2.gz KRTUQRRKRRABPI-CQSZACIVSA-N 1 2 280.393 1.755 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2c(C)noc2C)C1 ZINC001107730535 918701682 /nfs/dbraw/zinc/70/16/82/918701682.db2.gz BDSPMQSXHGNEBU-OAHLLOKOSA-N 1 2 293.367 1.298 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2c(C)noc2C)C1 ZINC001107730535 918701698 /nfs/dbraw/zinc/70/16/98/918701698.db2.gz BDSPMQSXHGNEBU-OAHLLOKOSA-N 1 2 293.367 1.298 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)OCCCC)C1 ZINC001107791697 918790132 /nfs/dbraw/zinc/79/01/32/918790132.db2.gz CNJPNDSWANHLIN-GOEBONIOSA-N 1 2 298.427 1.585 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)OCCCC)C1 ZINC001107791697 918790146 /nfs/dbraw/zinc/79/01/46/918790146.db2.gz CNJPNDSWANHLIN-GOEBONIOSA-N 1 2 298.427 1.585 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCC2CCC2)C1 ZINC001107850613 918879754 /nfs/dbraw/zinc/87/97/54/918879754.db2.gz NWCDRIQWKXMZTI-MRXNPFEDSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCC2CCC2)C1 ZINC001107850613 918879770 /nfs/dbraw/zinc/87/97/70/918879770.db2.gz NWCDRIQWKXMZTI-MRXNPFEDSA-N 1 2 280.412 1.960 20 30 CDEDLO C#CCOc1ccc(C[NH+]2CC3(C2)CS(=O)C3)cc1 ZINC001138556049 936545928 /nfs/dbraw/zinc/54/59/28/936545928.db2.gz CYEYHZWYOBGMGG-UHFFFAOYSA-N 1 2 275.373 1.263 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CCCCO2)C1 ZINC001107859966 918910716 /nfs/dbraw/zinc/91/07/16/918910716.db2.gz ISFIMCAPTBWLOS-GDBMZVCRSA-N 1 2 296.411 1.339 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CCCCO2)C1 ZINC001107859966 918910723 /nfs/dbraw/zinc/91/07/23/918910723.db2.gz ISFIMCAPTBWLOS-GDBMZVCRSA-N 1 2 296.411 1.339 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C=C(CC)CC)C1 ZINC001107864682 918926395 /nfs/dbraw/zinc/92/63/95/918926395.db2.gz YLIAZUHNJCUCNV-QGZVFWFLSA-N 1 2 292.423 1.963 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C=C(CC)CC)C1 ZINC001107864682 918926403 /nfs/dbraw/zinc/92/64/03/918926403.db2.gz YLIAZUHNJCUCNV-QGZVFWFLSA-N 1 2 292.423 1.963 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CO[C@H](C)CC)C1 ZINC001107877763 918965149 /nfs/dbraw/zinc/96/51/49/918965149.db2.gz XMKSZGXJKXUTQZ-UKRRQHHQSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CO[C@H](C)CC)C1 ZINC001107877763 918965163 /nfs/dbraw/zinc/96/51/63/918965163.db2.gz XMKSZGXJKXUTQZ-UKRRQHHQSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[C@H](C)OC)C1 ZINC001107886430 918994424 /nfs/dbraw/zinc/99/44/24/918994424.db2.gz IIYGHGXKMOWDFO-ZFWWWQNUSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CC[C@H](C)OC)C1 ZINC001107886430 918994436 /nfs/dbraw/zinc/99/44/36/918994436.db2.gz IIYGHGXKMOWDFO-ZFWWWQNUSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2ccncc2F)C1=O ZINC001272767142 919205453 /nfs/dbraw/zinc/20/54/53/919205453.db2.gz YJUYTIYRENOOTQ-INIZCTEOSA-N 1 2 289.354 1.974 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccncc2F)C1=O ZINC001272767142 919205464 /nfs/dbraw/zinc/20/54/64/919205464.db2.gz YJUYTIYRENOOTQ-INIZCTEOSA-N 1 2 289.354 1.974 20 30 CDEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2cnc(N)s2)CC1 ZINC001139230635 936610195 /nfs/dbraw/zinc/61/01/95/936610195.db2.gz DFDVFDCFFXZZOS-UHFFFAOYSA-N 1 2 294.380 1.394 20 30 CDEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186033384 919849920 /nfs/dbraw/zinc/84/99/20/919849920.db2.gz GYGFMKVLBNVTLD-LBPRGKRZSA-N 1 2 290.367 1.120 20 30 CDEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186033384 919849929 /nfs/dbraw/zinc/84/99/29/919849929.db2.gz GYGFMKVLBNVTLD-LBPRGKRZSA-N 1 2 290.367 1.120 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)C2CCC2)C1 ZINC001108021167 919984625 /nfs/dbraw/zinc/98/46/25/919984625.db2.gz VJXMJRIJRXEDIZ-RHSMWYFYSA-N 1 2 292.423 1.653 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)C2CCC2)C1 ZINC001108021167 919984635 /nfs/dbraw/zinc/98/46/35/919984635.db2.gz VJXMJRIJRXEDIZ-RHSMWYFYSA-N 1 2 292.423 1.653 20 30 CDEDLO CCC1(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)COC1 ZINC001202936516 936622462 /nfs/dbraw/zinc/62/24/62/936622462.db2.gz LZRKEUZZKHHIJQ-LLVKDONJSA-N 1 2 253.367 1.687 20 30 CDEDLO CCC1(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)COC1 ZINC001202936516 936622463 /nfs/dbraw/zinc/62/24/63/936622463.db2.gz LZRKEUZZKHHIJQ-LLVKDONJSA-N 1 2 253.367 1.687 20 30 CDEDLO Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)cc1C#N ZINC001139725015 936640038 /nfs/dbraw/zinc/64/00/38/936640038.db2.gz ZGMPEKHXKJSICL-HYVNUMGLSA-N 1 2 286.375 1.838 20 30 CDEDLO Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)cc1C#N ZINC001139725015 936640039 /nfs/dbraw/zinc/64/00/39/936640039.db2.gz ZGMPEKHXKJSICL-HYVNUMGLSA-N 1 2 286.375 1.838 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cccnn2)C1 ZINC001139977642 936664239 /nfs/dbraw/zinc/66/42/39/936664239.db2.gz VVZYFDHUPVOQRB-GFCCVEGCSA-N 1 2 276.340 1.353 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cccnn2)C1 ZINC001139977642 936664240 /nfs/dbraw/zinc/66/42/40/936664240.db2.gz VVZYFDHUPVOQRB-GFCCVEGCSA-N 1 2 276.340 1.353 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(O)cc2Cl)CC1 ZINC001140083024 936677896 /nfs/dbraw/zinc/67/78/96/936677896.db2.gz FSUDFBWZMIVEKZ-UHFFFAOYSA-N 1 2 264.756 1.796 20 30 CDEDLO N#Cc1ccc2[nH]cc(C[N@@H+]3C[C@@H]4COC[C@H](C3)C4=O)c2c1 ZINC001140116615 936680220 /nfs/dbraw/zinc/68/02/20/936680220.db2.gz BTDWAFDMZALEBA-OKILXGFUSA-N 1 2 295.342 1.687 20 30 CDEDLO N#Cc1ccc2[nH]cc(C[N@H+]3C[C@@H]4COC[C@H](C3)C4=O)c2c1 ZINC001140116615 936680223 /nfs/dbraw/zinc/68/02/23/936680223.db2.gz BTDWAFDMZALEBA-OKILXGFUSA-N 1 2 295.342 1.687 20 30 CDEDLO C[N@H+](Cc1ccon1)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190076123 921833086 /nfs/dbraw/zinc/83/30/86/921833086.db2.gz KKAMKGHVIPNPLX-AWEZNQCLSA-N 1 2 289.379 1.757 20 30 CDEDLO C[N@@H+](Cc1ccon1)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190076123 921833097 /nfs/dbraw/zinc/83/30/97/921833097.db2.gz KKAMKGHVIPNPLX-AWEZNQCLSA-N 1 2 289.379 1.757 20 30 CDEDLO C=C(C)Cc1ccc(C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)cc1 ZINC001190232976 921910490 /nfs/dbraw/zinc/91/04/90/921910490.db2.gz KWBPOTGPPFPXBN-MRXNPFEDSA-N 1 2 299.374 1.862 20 30 CDEDLO C=C(C)Cc1ccc(C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)cc1 ZINC001190232976 921910497 /nfs/dbraw/zinc/91/04/97/921910497.db2.gz KWBPOTGPPFPXBN-MRXNPFEDSA-N 1 2 299.374 1.862 20 30 CDEDLO C[C@]1(O)COCC[N@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140600217 936729598 /nfs/dbraw/zinc/72/95/98/936729598.db2.gz DBOSQSNEIWGWBG-CQSZACIVSA-N 1 2 280.755 1.795 20 30 CDEDLO C[C@]1(O)COCC[N@@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140600217 936729600 /nfs/dbraw/zinc/72/96/00/936729600.db2.gz DBOSQSNEIWGWBG-CQSZACIVSA-N 1 2 280.755 1.795 20 30 CDEDLO C=CCC1(S(=O)(=O)NCc2ccc3[nH+]ccn3c2)CC1 ZINC001190845650 922245949 /nfs/dbraw/zinc/24/59/49/922245949.db2.gz OGJGRXWUKBLUML-UHFFFAOYSA-N 1 2 291.376 1.862 20 30 CDEDLO C[N@H+](C1COC1)C1CN(Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140754621 936751041 /nfs/dbraw/zinc/75/10/41/936751041.db2.gz FFQMDKZLQVLEPA-UHFFFAOYSA-N 1 2 293.317 1.351 20 30 CDEDLO C[N@@H+](C1COC1)C1CN(Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140754621 936751043 /nfs/dbraw/zinc/75/10/43/936751043.db2.gz FFQMDKZLQVLEPA-UHFFFAOYSA-N 1 2 293.317 1.351 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCC)[C@H](O)C1 ZINC001099681051 922772342 /nfs/dbraw/zinc/77/23/42/922772342.db2.gz KNZVTFLZDRAUAX-NWDGAFQWSA-N 1 2 274.792 1.481 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCC)[C@H](O)C1 ZINC001099681051 922772354 /nfs/dbraw/zinc/77/23/54/922772354.db2.gz KNZVTFLZDRAUAX-NWDGAFQWSA-N 1 2 274.792 1.481 20 30 CDEDLO C=CCO[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccon2)C1 ZINC001194397254 924202518 /nfs/dbraw/zinc/20/25/18/924202518.db2.gz RKACOBZIVZROER-TZMCWYRMSA-N 1 2 293.367 1.298 20 30 CDEDLO C=CCO[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccon2)C1 ZINC001194397254 924202530 /nfs/dbraw/zinc/20/25/30/924202530.db2.gz RKACOBZIVZROER-TZMCWYRMSA-N 1 2 293.367 1.298 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(C)c2C)C1 ZINC001079426903 924300287 /nfs/dbraw/zinc/30/02/87/924300287.db2.gz DIIGKZXMYYSYBU-NOZJJQNGSA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(C)c2C)C1 ZINC001079426903 924300296 /nfs/dbraw/zinc/30/02/96/924300296.db2.gz DIIGKZXMYYSYBU-NOZJJQNGSA-N 1 2 296.802 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/nfs/dbraw/zinc/50/27/67/924502767.db2.gz SEWMJOQBJYJZAZ-GFCCVEGCSA-N 1 2 274.792 1.698 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CCOC2)C1 ZINC001080327237 924536110 /nfs/dbraw/zinc/53/61/10/924536110.db2.gz SUKKYIUQRWVRDX-XWIASGKRSA-N 1 2 290.766 1.304 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CCOC2)C1 ZINC001080327237 924536115 /nfs/dbraw/zinc/53/61/15/924536115.db2.gz SUKKYIUQRWVRDX-XWIASGKRSA-N 1 2 290.766 1.304 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cscn2)C1 ZINC001080566972 924598004 /nfs/dbraw/zinc/59/80/04/924598004.db2.gz WAYSIZWHKMCNLW-BXKDBHETSA-N 1 2 299.827 1.875 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cscn2)C1 ZINC001080566972 924598009 /nfs/dbraw/zinc/59/80/09/924598009.db2.gz WAYSIZWHKMCNLW-BXKDBHETSA-N 1 2 299.827 1.875 20 30 CDEDLO C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)C(F)(F)F ZINC001114309598 924752651 /nfs/dbraw/zinc/75/26/51/924752651.db2.gz ZBVHWJOGXQVMAZ-ZDCRXTMVSA-N 1 2 294.292 1.899 20 30 CDEDLO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)C(F)(F)F ZINC001114309598 924752654 /nfs/dbraw/zinc/75/26/54/924752654.db2.gz ZBVHWJOGXQVMAZ-ZDCRXTMVSA-N 1 2 294.292 1.899 20 30 CDEDLO C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C(F)(F)F ZINC001114309598 924752658 /nfs/dbraw/zinc/75/26/58/924752658.db2.gz ZBVHWJOGXQVMAZ-ZDCRXTMVSA-N 1 2 294.292 1.899 20 30 CDEDLO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C(F)(F)F ZINC001114309598 924752665 /nfs/dbraw/zinc/75/26/65/924752665.db2.gz ZBVHWJOGXQVMAZ-ZDCRXTMVSA-N 1 2 294.292 1.899 20 30 CDEDLO C=CCC(CC=C)C(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001195966851 924772751 /nfs/dbraw/zinc/77/27/51/924772751.db2.gz ZSXKYMDWYDBBLC-CYBMUJFWSA-N 1 2 293.411 1.163 20 30 CDEDLO C=CCC(CC=C)C(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001195966851 924772756 /nfs/dbraw/zinc/77/27/56/924772756.db2.gz ZSXKYMDWYDBBLC-CYBMUJFWSA-N 1 2 293.411 1.163 20 30 CDEDLO N#Cc1cccnc1C(=O)N(C(N)=[NH2+])c1ccccc1F ZINC001196561104 924939486 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C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)csc2Cl)[C@@H](O)C1 ZINC001084000860 925131648 /nfs/dbraw/zinc/13/16/48/925131648.db2.gz SRIYCKLFDXIXJS-ZJUUUORDSA-N 1 2 298.795 1.118 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](F)CCCCCC)C1 ZINC001197804779 925224302 /nfs/dbraw/zinc/22/43/02/925224302.db2.gz IBBDBZWVSMKNFW-BFHYXJOUSA-N 1 2 284.375 1.089 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](F)CCCCCC)C1 ZINC001197804779 925224306 /nfs/dbraw/zinc/22/43/06/925224306.db2.gz IBBDBZWVSMKNFW-BFHYXJOUSA-N 1 2 284.375 1.089 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C#CC1CC1)c1nccn12 ZINC001101629710 936994976 /nfs/dbraw/zinc/99/49/76/936994976.db2.gz ZDYDHOXJWLRZRK-CQSZACIVSA-N 1 2 296.374 1.054 20 30 CDEDLO C#CCN1CC2(C[NH+](Cc3c(C)cccc3C)C2)OCC1=O ZINC001273266125 925671559 /nfs/dbraw/zinc/67/15/59/925671559.db2.gz QIPNSEMYPRDKGN-UHFFFAOYSA-N 1 2 298.386 1.350 20 30 CDEDLO Cc1ccc(C#N)c(N[C@@H](C)CNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001098307104 925914225 /nfs/dbraw/zinc/91/42/25/925914225.db2.gz UGRJFYLCOGJHPS-NSHDSACASA-N 1 2 298.350 1.144 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1scnc1C ZINC001085498092 926073027 /nfs/dbraw/zinc/07/30/27/926073027.db2.gz SRMHRYPDHXQYGI-GFCCVEGCSA-N 1 2 277.393 1.621 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1scnc1C ZINC001085498092 926073033 /nfs/dbraw/zinc/07/30/33/926073033.db2.gz SRMHRYPDHXQYGI-GFCCVEGCSA-N 1 2 277.393 1.621 20 30 CDEDLO C=C(C)CN1CC[C@]2(CC[N@H+](CC(F)F)C2)C1=O ZINC001273845621 926100760 /nfs/dbraw/zinc/10/07/60/926100760.db2.gz ZPDBTFNITYEPRV-ZDUSSCGKSA-N 1 2 258.312 1.752 20 30 CDEDLO C=C(C)CN1CC[C@]2(CC[N@@H+](CC(F)F)C2)C1=O ZINC001273845621 926100766 /nfs/dbraw/zinc/10/07/66/926100766.db2.gz ZPDBTFNITYEPRV-ZDUSSCGKSA-N 1 2 258.312 1.752 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)sn1 ZINC001085566231 926158568 /nfs/dbraw/zinc/15/85/68/926158568.db2.gz DIFMYAJLVFMEPN-LBPRGKRZSA-N 1 2 277.393 1.621 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)sn1 ZINC001085566231 926158572 /nfs/dbraw/zinc/15/85/72/926158572.db2.gz DIFMYAJLVFMEPN-LBPRGKRZSA-N 1 2 277.393 1.621 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001085645105 926244466 /nfs/dbraw/zinc/24/44/66/926244466.db2.gz JDHCHNCSICVNDJ-LLVKDONJSA-N 1 2 298.346 1.048 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001085645105 926244474 /nfs/dbraw/zinc/24/44/74/926244474.db2.gz JDHCHNCSICVNDJ-LLVKDONJSA-N 1 2 298.346 1.048 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(C(C)(C)C)c1 ZINC001085685072 926281646 /nfs/dbraw/zinc/28/16/46/926281646.db2.gz IIUMDCAMJLGXLD-CQSZACIVSA-N 1 2 288.395 1.418 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(C(C)(C)C)c1 ZINC001085685072 926281652 /nfs/dbraw/zinc/28/16/52/926281652.db2.gz IIUMDCAMJLGXLD-CQSZACIVSA-N 1 2 288.395 1.418 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)cncc1C ZINC001085721603 926325201 /nfs/dbraw/zinc/32/52/01/926325201.db2.gz AGONNOXGPQNBAD-AWEZNQCLSA-N 1 2 271.364 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ZJGSERXEWFKAQK-CYBMUJFWSA-N 1 2 287.363 1.722 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C2CC2)on1 ZINC001085749138 926350468 /nfs/dbraw/zinc/35/04/68/926350468.db2.gz ZJGSERXEWFKAQK-CYBMUJFWSA-N 1 2 287.363 1.722 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(-c2ccco2)n[nH]1 ZINC001085836422 926436732 /nfs/dbraw/zinc/43/67/32/926436732.db2.gz IWQPVKDZYHLPGS-GFCCVEGCSA-N 1 2 298.346 1.449 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(-c2ccco2)n[nH]1 ZINC001085836422 926436734 /nfs/dbraw/zinc/43/67/34/926436734.db2.gz IWQPVKDZYHLPGS-GFCCVEGCSA-N 1 2 298.346 1.449 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNc2nc(Cl)c(F)cc2C#N)C1 ZINC001155193873 926635495 /nfs/dbraw/zinc/63/54/95/926635495.db2.gz LVWMGAZKAQIZJP-SECBINFHSA-N 1 2 284.722 1.488 20 30 CDEDLO C[N@H+]1CCO[C@H](CNc2nc(Cl)c(F)cc2C#N)C1 ZINC001155193873 926635500 /nfs/dbraw/zinc/63/55/00/926635500.db2.gz LVWMGAZKAQIZJP-SECBINFHSA-N 1 2 284.722 1.488 20 30 CDEDLO Cc1nc(NC[C@H](C)CNC(=O)CSCC#N)cc[nH+]1 ZINC001103881734 937169063 /nfs/dbraw/zinc/16/90/63/937169063.db2.gz QHTSTKNPQLLKFL-JTQLQIEISA-N 1 2 293.396 1.206 20 30 CDEDLO Cc1nc(NC[C@@H](C)CNC(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001103937615 937179306 /nfs/dbraw/zinc/17/93/06/937179306.db2.gz HIPAXCSKMGPOTD-GFCCVEGCSA-N 1 2 288.395 1.999 20 30 CDEDLO Cc1nc(NC[C@H](C)CNC(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001103919541 937176123 /nfs/dbraw/zinc/17/61/23/937176123.db2.gz PGVVVTHNOJELJE-JTQLQIEISA-N 1 2 298.350 1.463 20 30 CDEDLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)CNc1ccc(C#N)nc1 ZINC001104052900 937187318 /nfs/dbraw/zinc/18/73/18/937187318.db2.gz MKDWTGDOPWMKEF-NSHDSACASA-N 1 2 298.350 1.083 20 30 CDEDLO COc1ccc(C(=NO)Nc2cc[nH+]c(CC#N)c2)nc1 ZINC001169605225 928225570 /nfs/dbraw/zinc/22/55/70/928225570.db2.gz NEZNUZDPMWZNBR-UHFFFAOYSA-N 1 2 283.291 1.221 20 30 CDEDLO C=C[C@@H](CO)Nc1[nH+]cccc1CC(=O)OC(C)(C)C ZINC001169779577 928431722 /nfs/dbraw/zinc/43/17/22/928431722.db2.gz MKOUZHSGOJPMGI-LBPRGKRZSA-N 1 2 278.352 1.925 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001108712672 928618981 /nfs/dbraw/zinc/61/89/81/928618981.db2.gz CAKXJQFTBXBBHF-UHTWSYAYSA-N 1 2 290.367 1.293 20 30 CDEDLO Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C)C#N)C3)on1 ZINC001109077976 928785799 /nfs/dbraw/zinc/78/57/99/928785799.db2.gz BTSKZSVBYKZFPC-RCCPXBDUSA-N 1 2 288.351 1.364 20 30 CDEDLO Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C)C#N)C3)on1 ZINC001109077976 928785804 /nfs/dbraw/zinc/78/58/04/928785804.db2.gz BTSKZSVBYKZFPC-RCCPXBDUSA-N 1 2 288.351 1.364 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)(C)O)C2 ZINC001109215741 928840118 /nfs/dbraw/zinc/84/01/18/928840118.db2.gz UTIRQFYQJMPCTB-WOPDTQHZSA-N 1 2 286.803 1.621 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)(C)O)C2 ZINC001109215741 928840127 /nfs/dbraw/zinc/84/01/27/928840127.db2.gz UTIRQFYQJMPCTB-WOPDTQHZSA-N 1 2 286.803 1.621 20 30 CDEDLO Cc1nc(N2CC[C@H](NC(=O)C#CC3CC3)[C@H](C)C2)cc[nH+]1 ZINC001112407312 937307003 /nfs/dbraw/zinc/30/70/03/937307003.db2.gz NBFHUSZDTZINAD-DOMZBBRYSA-N 1 2 298.390 1.529 20 30 CDEDLO C=CCOCC(=O)N[C@H](C)[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001112922310 929572475 /nfs/dbraw/zinc/57/24/75/929572475.db2.gz YLZIOHJOLLBWEC-WDEREUQCSA-N 1 2 278.356 1.293 20 30 CDEDLO C#CCC1(C(=O)N2CC[NH+](CC(=C)C)CC2)CCOCC1 ZINC001112948046 929587595 /nfs/dbraw/zinc/58/75/95/929587595.db2.gz XNONFYJTHAMLRN-UHFFFAOYSA-N 1 2 290.407 1.527 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001134411784 929733963 /nfs/dbraw/zinc/73/39/63/929733963.db2.gz GHFHBKVHJXHPCN-JTQLQIEISA-N 1 2 282.413 1.907 20 30 CDEDLO CCn1ccnc1C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152450039 937363009 /nfs/dbraw/zinc/36/30/09/937363009.db2.gz QCPBMWVPRNSCNI-QWHCGFSZSA-N 1 2 291.399 1.389 20 30 CDEDLO CCn1ccnc1C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152450039 937363011 /nfs/dbraw/zinc/36/30/11/937363011.db2.gz QCPBMWVPRNSCNI-QWHCGFSZSA-N 1 2 291.399 1.389 20 30 CDEDLO CCOCCO[NH+]=C1CCCc2nc(N)ncc21 ZINC000814907709 929883913 /nfs/dbraw/zinc/88/39/13/929883913.db2.gz WBTRIOFPUSXIOG-UHFFFAOYSA-N 1 2 250.302 1.152 20 30 CDEDLO C=CCNC(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001202569737 930314311 /nfs/dbraw/zinc/31/43/11/930314311.db2.gz OLNMYPOUNFVBAV-LLVKDONJSA-N 1 2 273.327 1.687 20 30 CDEDLO C#CCNC(=S)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001116388281 937445197 /nfs/dbraw/zinc/44/51/97/937445197.db2.gz FGVLVTPELPRFSG-LBPRGKRZSA-N 1 2 276.409 1.182 20 30 CDEDLO N#CCC[NH+]1CCC2(C[C@H]2C(=O)NCC(F)F)CC1 ZINC001274032838 931132713 /nfs/dbraw/zinc/13/27/13/931132713.db2.gz WZLQTTYKRJSMBD-JTQLQIEISA-N 1 2 271.311 1.383 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(F)ccn2)C1=O ZINC001274583962 931511513 /nfs/dbraw/zinc/51/15/13/931511513.db2.gz CBTNQXGFVNWXLN-INIZCTEOSA-N 1 2 289.354 1.974 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)ccn2)C1=O ZINC001274583962 931511516 /nfs/dbraw/zinc/51/15/16/931511516.db2.gz CBTNQXGFVNWXLN-INIZCTEOSA-N 1 2 289.354 1.974 20 30 CDEDLO C=CCN1C(=O)C[C@@]2(CCCN(c3cccc[nH+]3)C2)C1=O ZINC001274739162 931563420 /nfs/dbraw/zinc/56/34/20/931563420.db2.gz AYRNBVLOIKHIFP-MRXNPFEDSA-N 1 2 285.347 1.613 20 30 CDEDLO C#CCC[NH2+][C@H](C(=O)OC)[C@H]1CCC[C@@H](OC)C1 ZINC000844445970 931617959 /nfs/dbraw/zinc/61/79/59/931617959.db2.gz IILYQMOZZAFJJX-XQQFMLRXSA-N 1 2 253.342 1.346 20 30 CDEDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1ccc(C#N)c(F)c1 ZINC001275095439 931659702 /nfs/dbraw/zinc/65/97/02/931659702.db2.gz AEVSYBXDVIGGCR-TXEJJXNPSA-N 1 2 259.284 1.226 20 30 CDEDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1ccc(C#N)c(F)c1 ZINC001275095439 931659705 /nfs/dbraw/zinc/65/97/05/931659705.db2.gz AEVSYBXDVIGGCR-TXEJJXNPSA-N 1 2 259.284 1.226 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)nc1 ZINC001144166415 931686293 /nfs/dbraw/zinc/68/62/93/931686293.db2.gz DSGYIADOGNAFPA-MRXNPFEDSA-N 1 2 298.390 1.834 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)nc1 ZINC001144166415 931686299 /nfs/dbraw/zinc/68/62/99/931686299.db2.gz DSGYIADOGNAFPA-MRXNPFEDSA-N 1 2 298.390 1.834 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@]2(C)C[C@@H]3C=C[C@H]2C3)CC1 ZINC001144281725 931734721 /nfs/dbraw/zinc/73/47/21/931734721.db2.gz RMVFFCRSXUHURD-IJEWVQPXSA-N 1 2 260.381 1.919 20 30 CDEDLO N#CNC(=NC(=O)c1cccc2[nH+]ccn21)c1ccncc1 ZINC001154525876 937553906 /nfs/dbraw/zinc/55/39/06/937553906.db2.gz CWGYGECWIFMSOM-UHFFFAOYSA-N 1 2 290.286 1.387 20 30 CDEDLO C=C(CC)CNC(=O)C(=O)NCc1c[nH+]c(C)cc1C ZINC001118035372 937583638 /nfs/dbraw/zinc/58/36/38/937583638.db2.gz FUHNECRKRMHKIV-UHFFFAOYSA-N 1 2 275.352 1.397 20 30 CDEDLO C=CCC[C@H](C)[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149124980 932563520 /nfs/dbraw/zinc/56/35/20/932563520.db2.gz ZMSPXODEONANQX-NSHDSACASA-N 1 2 264.373 1.321 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2CN(C(=O)C(F)C(F)(F)F)C[C@]2(C)C1 ZINC001091690480 932676406 /nfs/dbraw/zinc/67/64/06/932676406.db2.gz IUPDNZXKXGNJNF-FOGDFJRCSA-N 1 2 294.292 1.853 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2CN(C(=O)C(F)C(F)(F)F)C[C@]2(C)C1 ZINC001091690480 932676419 /nfs/dbraw/zinc/67/64/19/932676419.db2.gz IUPDNZXKXGNJNF-FOGDFJRCSA-N 1 2 294.292 1.853 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](F)C(F)(F)F)C[C@]2(C)C1 ZINC001091690480 932676423 /nfs/dbraw/zinc/67/64/23/932676423.db2.gz IUPDNZXKXGNJNF-FOGDFJRCSA-N 1 2 294.292 1.853 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](F)C(F)(F)F)C[C@]2(C)C1 ZINC001091690480 932676429 /nfs/dbraw/zinc/67/64/29/932676429.db2.gz IUPDNZXKXGNJNF-FOGDFJRCSA-N 1 2 294.292 1.853 20 30 CDEDLO COC(=[NH2+])c1cccc(N[C@@H]2C(=O)N(O)C[C@@H]2C)c1 ZINC001171368302 932884811 /nfs/dbraw/zinc/88/48/11/932884811.db2.gz CNCVMKMODFIOBN-KWQFWETISA-N 1 2 263.297 1.306 20 30 CDEDLO Cc1nc(NCCC[C@@H](C)NC(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001114873300 935241411 /nfs/dbraw/zinc/24/14/11/935241411.db2.gz ZVJOQUIBGHKWSD-WDEREUQCSA-N 1 2 275.356 1.642 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cocc1C ZINC001017807591 935650528 /nfs/dbraw/zinc/65/05/28/935650528.db2.gz XYNJRAQMAXFWNU-OKILXGFUSA-N 1 2 272.348 1.900 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cocc1C ZINC001017807591 935650530 /nfs/dbraw/zinc/65/05/30/935650530.db2.gz XYNJRAQMAXFWNU-OKILXGFUSA-N 1 2 272.348 1.900 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@@H](C)C1 ZINC001018112090 935660227 /nfs/dbraw/zinc/66/02/27/935660227.db2.gz MWWHDNAGNWATFW-XUWVNRHRSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@@H](C)C1 ZINC001018112090 935660229 /nfs/dbraw/zinc/66/02/29/935660229.db2.gz MWWHDNAGNWATFW-XUWVNRHRSA-N 1 2 290.407 1.500 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H](C)[C@H]2CCCO2)C1 ZINC001043793865 935844036 /nfs/dbraw/zinc/84/40/36/935844036.db2.gz BTOHIKFWCMDGFV-WCQYABFASA-N 1 2 252.358 1.130 20 30 CDEDLO CC(=O)N[C@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046086022 935923324 /nfs/dbraw/zinc/92/33/24/935923324.db2.gz FUGSQTPTQMHSNP-OAHLLOKOSA-N 1 2 275.327 1.798 20 30 CDEDLO CC(=O)N[C@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046086022 935923326 /nfs/dbraw/zinc/92/33/26/935923326.db2.gz FUGSQTPTQMHSNP-OAHLLOKOSA-N 1 2 275.327 1.798 20 30 CDEDLO C=CCOCC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@@H]1C ZINC001123012679 936103794 /nfs/dbraw/zinc/10/37/94/936103794.db2.gz NTOFRGWLXZGDIB-WCQYABFASA-N 1 2 290.367 1.389 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC1)C2 ZINC001096706781 936210079 /nfs/dbraw/zinc/21/00/79/936210079.db2.gz SLXBREWQFVNVLR-UTUOFQBUSA-N 1 2 254.761 1.870 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC1)C2 ZINC001096706781 936210083 /nfs/dbraw/zinc/21/00/83/936210083.db2.gz SLXBREWQFVNVLR-UTUOFQBUSA-N 1 2 254.761 1.870 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(C)c1)C2 ZINC001096782970 936217186 /nfs/dbraw/zinc/21/71/86/936217186.db2.gz LZPZVLRTCSSJOE-UPJWGTAASA-N 1 2 294.786 1.508 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(C)c1)C2 ZINC001096782970 936217189 /nfs/dbraw/zinc/21/71/89/936217189.db2.gz LZPZVLRTCSSJOE-UPJWGTAASA-N 1 2 294.786 1.508 20 30 CDEDLO C=C[C@@](C)(O)C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC001120769822 937834018 /nfs/dbraw/zinc/83/40/18/937834018.db2.gz OQXHTKBIKHWHRR-UKRRQHHQSA-N 1 2 278.327 1.236 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)SC)n2CC)CC1 ZINC001121823364 937883968 /nfs/dbraw/zinc/88/39/68/937883968.db2.gz XJQKOAQKSJSCQZ-LBPRGKRZSA-N 1 2 293.440 1.477 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)Oc1cccc(Cl)n1 ZINC001156320317 938351467 /nfs/dbraw/zinc/35/14/67/938351467.db2.gz WXNHYPMLOQRBPF-QMMMGPOBSA-N 1 2 288.685 1.461 20 30 CDEDLO COC(=O)c1ccc2cc(N3CC[NH2+]C[C@@H]3C#N)ncc2c1 ZINC001156327850 938353093 /nfs/dbraw/zinc/35/30/93/938353093.db2.gz PASVPMLFBKRQAM-AWEZNQCLSA-N 1 2 296.330 1.323 20 30 CDEDLO CC1(C#N)CN(C(=O)c2ccc3[nH+]c(N)[nH]c3c2)C1 ZINC001156964670 938439620 /nfs/dbraw/zinc/43/96/20/938439620.db2.gz PYLPVQGSGLFBKO-UHFFFAOYSA-N 1 2 255.281 1.131 20 30 CDEDLO N#Cc1cccnc1NCC1([NH+]2CCCC2)COC1 ZINC001157650038 938526345 /nfs/dbraw/zinc/52/63/45/938526345.db2.gz JRLXDMDUXSPZSI-UHFFFAOYSA-N 1 2 258.325 1.230 20 30 CDEDLO N#Cc1ccc(-c2cccs2)nc1-n1[nH]c(=O)nc1C[NH3+] ZINC001157940781 938566709 /nfs/dbraw/zinc/56/67/09/938566709.db2.gz HJNSEHIEGBEIAN-UHFFFAOYSA-N 1 2 298.331 1.427 20 30 CDEDLO N#Cc1ccccc1C[NH+]1CC2(C1)SCC[C@H]2C(N)=O ZINC001278239381 945199669 /nfs/dbraw/zinc/19/96/69/945199669.db2.gz OPOKJNYQCZESQO-ZDUSSCGKSA-N 1 2 287.388 1.351 20 30 CDEDLO Cc1c[nH+]c(NCCCn2cncn2)c(/C=N/O)c1 ZINC001161961992 938949124 /nfs/dbraw/zinc/94/91/24/938949124.db2.gz LUBBVDOQGCNCAH-REZTVBANSA-N 1 2 260.301 1.292 20 30 CDEDLO Cc1cc(Cl)c(C#N)c(NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC001162681217 939114257 /nfs/dbraw/zinc/11/42/57/939114257.db2.gz XIFMRDVGCGJBLB-SNVBAGLBSA-N 1 2 280.759 1.658 20 30 CDEDLO Cc1cc(Cl)c(C#N)c(NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001162681217 939114261 /nfs/dbraw/zinc/11/42/61/939114261.db2.gz XIFMRDVGCGJBLB-SNVBAGLBSA-N 1 2 280.759 1.658 20 30 CDEDLO CC(C)C[C@H](Nc1ccc(Cl)c(N)[nH+]1)C(=O)NO ZINC001163421278 939266729 /nfs/dbraw/zinc/26/67/29/939266729.db2.gz HHAJOTKCQLHKEY-QMMMGPOBSA-N 1 2 272.736 1.649 20 30 CDEDLO C=CC(C)(C)C(=O)NCCC[NH2+]Cc1noc(C2CC2)n1 ZINC001163964341 939364519 /nfs/dbraw/zinc/36/45/19/939364519.db2.gz YFZLGPGSLRBACF-UHFFFAOYSA-N 1 2 292.383 1.755 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@@H](F)c1ccnc(Cl)c1 ZINC001164652983 939502262 /nfs/dbraw/zinc/50/22/62/939502262.db2.gz XHCHRGATAUVNGL-MWLCHTKSSA-N 1 2 254.696 1.500 20 30 CDEDLO Cc1cc(N2CC[NH2+]C[C@H]2C#N)nc(C(C)(C)C)n1 ZINC001164661517 939502747 /nfs/dbraw/zinc/50/27/47/939502747.db2.gz MJLIIGYFYOKZIJ-LLVKDONJSA-N 1 2 259.357 1.384 20 30 CDEDLO COC[C@]12COC[C@H]1CN(c1[nH+]ccc3[nH]cc(C#N)c31)C2 ZINC001166228908 939600051 /nfs/dbraw/zinc/60/00/51/939600051.db2.gz ZHPZKKJSPWGDCY-MLGOLLRUSA-N 1 2 298.346 1.534 20 30 CDEDLO CCN(CCC(N)=O)c1[nH+]ccc2ccc(C#N)cc21 ZINC001166588814 939616041 /nfs/dbraw/zinc/61/60/41/939616041.db2.gz YQUWZJROQNVESB-UHFFFAOYSA-N 1 2 268.320 1.808 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2cccn2C)CC1 ZINC001203270655 939681256 /nfs/dbraw/zinc/68/12/56/939681256.db2.gz OTZIIPCKSRXQLI-UHFFFAOYSA-N 1 2 261.325 1.304 20 30 CDEDLO C=CC[NH+]1CCN(Cc2ccc(OC)cc2O)CC1 ZINC001203628554 939697856 /nfs/dbraw/zinc/69/78/56/939697856.db2.gz BGHJGWQLWVNLOZ-UHFFFAOYSA-N 1 2 262.353 1.704 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1C ZINC001206537248 940056845 /nfs/dbraw/zinc/05/68/45/940056845.db2.gz NTKUREXKDHRMJK-ZYHUDNBSSA-N 1 2 280.397 1.441 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1C ZINC001206537248 940056847 /nfs/dbraw/zinc/05/68/47/940056847.db2.gz NTKUREXKDHRMJK-ZYHUDNBSSA-N 1 2 280.397 1.441 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cn(CC)nn2)C[C@H]1C ZINC001206537588 940057458 /nfs/dbraw/zinc/05/74/58/940057458.db2.gz ZWJYWBFCUFCRHH-TZMCWYRMSA-N 1 2 291.399 1.201 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cn(CC)nn2)C[C@H]1C ZINC001206537588 940057461 /nfs/dbraw/zinc/05/74/61/940057461.db2.gz ZWJYWBFCUFCRHH-TZMCWYRMSA-N 1 2 291.399 1.201 20 30 CDEDLO CC(=O)N1CCC(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001208675327 940367333 /nfs/dbraw/zinc/36/73/33/940367333.db2.gz KWJRGDPBHVNRIH-AWEZNQCLSA-N 1 2 294.420 1.519 20 30 CDEDLO CC(=O)N1CCC(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001208675327 940367335 /nfs/dbraw/zinc/36/73/35/940367335.db2.gz KWJRGDPBHVNRIH-AWEZNQCLSA-N 1 2 294.420 1.519 20 30 CDEDLO CCCC[N@H+](CC#N)CC1CCN(C(C)=O)CC1 ZINC001208674148 940367367 /nfs/dbraw/zinc/36/73/67/940367367.db2.gz KZRJELHREUUUFU-UHFFFAOYSA-N 1 2 251.374 1.871 20 30 CDEDLO CCCC[N@@H+](CC#N)CC1CCN(C(C)=O)CC1 ZINC001208674148 940367371 /nfs/dbraw/zinc/36/73/71/940367371.db2.gz KZRJELHREUUUFU-UHFFFAOYSA-N 1 2 251.374 1.871 20 30 CDEDLO COC(=O)[C@@H]1CC[N@@H+]1CCCc1cccc(C#N)c1 ZINC001208844469 940394747 /nfs/dbraw/zinc/39/47/47/940394747.db2.gz IKXMETJMTNKSHQ-AWEZNQCLSA-N 1 2 258.321 1.738 20 30 CDEDLO COC(=O)[C@@H]1CC[N@H+]1CCCc1cccc(C#N)c1 ZINC001208844469 940394752 /nfs/dbraw/zinc/39/47/52/940394752.db2.gz IKXMETJMTNKSHQ-AWEZNQCLSA-N 1 2 258.321 1.738 20 30 CDEDLO CCOC(=O)[C@H]1CC[C@H](C[NH+]2CC(C#N)C2)CC1 ZINC001209008229 940422588 /nfs/dbraw/zinc/42/25/88/940422588.db2.gz TYUIXHSLGFASAO-AULYBMBSSA-N 1 2 250.342 1.811 20 30 CDEDLO C=CCN(CC[N@H+]1CCC[C@H]1C(=O)OCC)C(=O)OCC ZINC001209022040 940424830 /nfs/dbraw/zinc/42/48/30/940424830.db2.gz IGUJCBMJUOJXQY-ZDUSSCGKSA-N 1 2 298.383 1.658 20 30 CDEDLO C=CCN(CC[N@@H+]1CCC[C@H]1C(=O)OCC)C(=O)OCC ZINC001209022040 940424832 /nfs/dbraw/zinc/42/48/32/940424832.db2.gz IGUJCBMJUOJXQY-ZDUSSCGKSA-N 1 2 298.383 1.658 20 30 CDEDLO C#CCCCCCC(=O)N1CCO[C@@H]2C[N@H+](CC#C)C[C@@H]21 ZINC001218430144 941217299 /nfs/dbraw/zinc/21/72/99/941217299.db2.gz ONNNZJGKJBBJII-JKSUJKDBSA-N 1 2 288.391 1.115 20 30 CDEDLO C#CCCCCCC(=O)N1CCO[C@@H]2C[N@@H+](CC#C)C[C@@H]21 ZINC001218430144 941217302 /nfs/dbraw/zinc/21/73/02/941217302.db2.gz ONNNZJGKJBBJII-JKSUJKDBSA-N 1 2 288.391 1.115 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001220133474 941414537 /nfs/dbraw/zinc/41/45/37/941414537.db2.gz BDELWCPZLBDUPK-DUVUQDDDSA-N 1 2 286.803 1.503 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001220133474 941414540 /nfs/dbraw/zinc/41/45/40/941414540.db2.gz BDELWCPZLBDUPK-DUVUQDDDSA-N 1 2 286.803 1.503 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001220203504 941423988 /nfs/dbraw/zinc/42/39/88/941423988.db2.gz IHUBJVNMDSIDPB-BJBSMMKKSA-N 1 2 286.803 1.503 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001220203504 941423991 /nfs/dbraw/zinc/42/39/91/941423991.db2.gz IHUBJVNMDSIDPB-BJBSMMKKSA-N 1 2 286.803 1.503 20 30 CDEDLO CCOC(=O)[C@@H](C#C[Si](C)(C)C)OCCn1cc[nH+]c1 ZINC001222138173 941569024 /nfs/dbraw/zinc/56/90/24/941569024.db2.gz AUIIQCKPPXQBRN-CYBMUJFWSA-N 1 2 294.427 1.712 20 30 CDEDLO C=CCCC(=O)NCC1CC[NH+](Cc2nncn2C)CC1 ZINC001222578861 941616621 /nfs/dbraw/zinc/61/66/21/941616621.db2.gz HUNPHWVSTHEDRD-UHFFFAOYSA-N 1 2 291.399 1.110 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)O[C@@H](C#N)c1ccccc1 ZINC001223708587 941692464 /nfs/dbraw/zinc/69/24/64/941692464.db2.gz DXWXTMVSWNLRQY-ZFWWWQNUSA-N 1 2 260.337 1.989 20 30 CDEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)[C@H](C#N)c1nccn1C ZINC001524256277 970830980 /nfs/dbraw/zinc/83/09/80/970830980.db2.gz JJJCYMGFSGRTTR-NWDGAFQWSA-N 1 2 260.341 1.471 20 30 CDEDLO CC[N@H+]1CCCC[C@@H]1C(=O)[C@H](C#N)c1nccn1C ZINC001524256277 970830991 /nfs/dbraw/zinc/83/09/91/970830991.db2.gz JJJCYMGFSGRTTR-NWDGAFQWSA-N 1 2 260.341 1.471 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(F)cc3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001225904817 941927441 /nfs/dbraw/zinc/92/74/41/941927441.db2.gz KAPIFTOVUWAPLU-LSVRBPJHSA-N 1 2 294.282 1.725 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(F)cc3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001225904817 941927443 /nfs/dbraw/zinc/92/74/43/941927443.db2.gz KAPIFTOVUWAPLU-LSVRBPJHSA-N 1 2 294.282 1.725 20 30 CDEDLO N#Cc1c(O)ccc(OC2CC[NH+](CCF)CC2)c1C#N ZINC001227620064 942198026 /nfs/dbraw/zinc/19/80/26/942198026.db2.gz XHTAJKSLZHFDOU-UHFFFAOYSA-N 1 2 289.310 1.948 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cnc(Cl)c(C#N)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227747392 942217379 /nfs/dbraw/zinc/21/73/79/942217379.db2.gz IWERZCLHKAUGQX-DERRMCRCSA-N 1 2 291.738 1.598 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cnc(Cl)c(C#N)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227747392 942217385 /nfs/dbraw/zinc/21/73/85/942217385.db2.gz IWERZCLHKAUGQX-DERRMCRCSA-N 1 2 291.738 1.598 20 30 CDEDLO CSc1cc(C)nc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)n1 ZINC001229076557 942414765 /nfs/dbraw/zinc/41/47/65/942414765.db2.gz WHNKOQIDQWXIOC-NJFCNUMCSA-N 1 2 293.392 1.498 20 30 CDEDLO CSc1cc(C)nc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)n1 ZINC001229076557 942414767 /nfs/dbraw/zinc/41/47/67/942414767.db2.gz WHNKOQIDQWXIOC-NJFCNUMCSA-N 1 2 293.392 1.498 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC001229186321 942429632 /nfs/dbraw/zinc/42/96/32/942429632.db2.gz JKIHJBNGEHUWRV-NSHDSACASA-N 1 2 277.280 1.176 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC001229186321 942429635 /nfs/dbraw/zinc/42/96/35/942429635.db2.gz JKIHJBNGEHUWRV-NSHDSACASA-N 1 2 277.280 1.176 20 30 CDEDLO CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001316604197 942461090 /nfs/dbraw/zinc/46/10/90/942461090.db2.gz LEMMKMZYACJWRD-OWCLPIDISA-N 1 2 292.423 1.605 20 30 CDEDLO CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001316604197 942461092 /nfs/dbraw/zinc/46/10/92/942461092.db2.gz LEMMKMZYACJWRD-OWCLPIDISA-N 1 2 292.423 1.605 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)NCc2ccc[nH+]c2N)C1 ZINC001230300144 942604799 /nfs/dbraw/zinc/60/47/99/942604799.db2.gz CELIVHQZPJUXHP-GXSJLCMTSA-N 1 2 259.313 1.155 20 30 CDEDLO N#CCN1CC[C@H](Oc2cc3c(cc2O)C=[NH+]CC3)C1 ZINC001230920857 942734830 /nfs/dbraw/zinc/73/48/30/942734830.db2.gz WIBQUZBBDLBYMW-ZDUSSCGKSA-N 1 2 271.320 1.344 20 30 CDEDLO Cc1oncc1C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231294672 942847135 /nfs/dbraw/zinc/84/71/35/942847135.db2.gz ZTMACPBMYGWEHO-GXFFZTMASA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1oncc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231294672 942847139 /nfs/dbraw/zinc/84/71/39/942847139.db2.gz ZTMACPBMYGWEHO-GXFFZTMASA-N 1 2 276.340 1.175 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)CCC ZINC001231313434 942852852 /nfs/dbraw/zinc/85/28/52/942852852.db2.gz YLNOIRKSCWODBP-KBPBESRZSA-N 1 2 295.427 1.258 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)CCC ZINC001231313434 942852857 /nfs/dbraw/zinc/85/28/57/942852857.db2.gz YLNOIRKSCWODBP-KBPBESRZSA-N 1 2 295.427 1.258 20 30 CDEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)COCC ZINC001231406524 942878808 /nfs/dbraw/zinc/87/88/08/942878808.db2.gz LGNYHOVGBOLUCO-UHFFFAOYSA-N 1 2 293.205 1.370 20 30 CDEDLO C=C(Br)C[N@H+](C)CCCNC(=O)COCC ZINC001231406524 942878813 /nfs/dbraw/zinc/87/88/13/942878813.db2.gz LGNYHOVGBOLUCO-UHFFFAOYSA-N 1 2 293.205 1.370 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c[nH]c3cnccc23)CC1 ZINC001231522021 942919358 /nfs/dbraw/zinc/91/93/58/942919358.db2.gz RMUCJIARVFVYKF-UHFFFAOYSA-N 1 2 254.337 1.314 20 30 CDEDLO COc1cc(C[N@@H+]2CCC[C@H](C#N)C2)c(O)cc1O ZINC001231637433 942953609 /nfs/dbraw/zinc/95/36/09/942953609.db2.gz MNEHRQYXXLNGPY-SNVBAGLBSA-N 1 2 262.309 1.842 20 30 CDEDLO COc1cc(C[N@H+]2CCC[C@H](C#N)C2)c(O)cc1O ZINC001231637433 942953612 /nfs/dbraw/zinc/95/36/12/942953612.db2.gz MNEHRQYXXLNGPY-SNVBAGLBSA-N 1 2 262.309 1.842 20 30 CDEDLO Cc1cc(C)c(CNC(=O)c2cnccc2C#N)c[nH+]1 ZINC001525405455 970954768 /nfs/dbraw/zinc/95/47/68/970954768.db2.gz JXGVTNUGQXANNH-UHFFFAOYSA-N 1 2 266.304 1.895 20 30 CDEDLO CC(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccn2)C1 ZINC001232481243 943294476 /nfs/dbraw/zinc/29/44/76/943294476.db2.gz XVMBFUPFADRWBC-ZDUSSCGKSA-N 1 2 258.325 1.054 20 30 CDEDLO CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001232481243 943294479 /nfs/dbraw/zinc/29/44/79/943294479.db2.gz XVMBFUPFADRWBC-ZDUSSCGKSA-N 1 2 258.325 1.054 20 30 CDEDLO N#Cc1ccc(O)c(C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC001232673196 943354856 /nfs/dbraw/zinc/35/48/56/943354856.db2.gz CAVWCMUTDWJMBZ-UHFFFAOYSA-N 1 2 294.358 1.981 20 30 CDEDLO COC(=O)C1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232675937 943356670 /nfs/dbraw/zinc/35/66/70/943356670.db2.gz XCZZQJKJAYXCIH-UHFFFAOYSA-N 1 2 274.320 1.649 20 30 CDEDLO C[C@@]1(CO)C[N@H+](Cc2cc(F)ccc2C#N)CC[C@@H]1O ZINC001232888986 943426681 /nfs/dbraw/zinc/42/66/81/943426681.db2.gz XHWFZCHVOVQCAS-GJZGRUSLSA-N 1 2 278.327 1.263 20 30 CDEDLO C[C@@]1(CO)C[N@@H+](Cc2cc(F)ccc2C#N)CC[C@@H]1O ZINC001232888986 943426684 /nfs/dbraw/zinc/42/66/84/943426684.db2.gz XHWFZCHVOVQCAS-GJZGRUSLSA-N 1 2 278.327 1.263 20 30 CDEDLO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC001233047324 943475217 /nfs/dbraw/zinc/47/52/17/943475217.db2.gz WKONBMIYJQGCBP-GFCCVEGCSA-N 1 2 256.313 1.315 20 30 CDEDLO N#Cc1cc[nH]c1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC001233047324 943475223 /nfs/dbraw/zinc/47/52/23/943475223.db2.gz WKONBMIYJQGCBP-GFCCVEGCSA-N 1 2 256.313 1.315 20 30 CDEDLO CN(C)C(=O)NC1CC[NH+](Cc2[nH]ccc2C#N)CC1 ZINC001233049145 943475791 /nfs/dbraw/zinc/47/57/91/943475791.db2.gz YTZYGDHDLVWKCF-UHFFFAOYSA-N 1 2 275.356 1.122 20 30 CDEDLO COC(=O)[C@H]1CCC[N@H+](Cc2[nH]ccc2C#N)CC1 ZINC001233048636 943476389 /nfs/dbraw/zinc/47/63/89/943476389.db2.gz IHSKVAZDMUILAF-NSHDSACASA-N 1 2 261.325 1.661 20 30 CDEDLO COC(=O)[C@H]1CCC[N@@H+](Cc2[nH]ccc2C#N)CC1 ZINC001233048636 943476391 /nfs/dbraw/zinc/47/63/91/943476391.db2.gz IHSKVAZDMUILAF-NSHDSACASA-N 1 2 261.325 1.661 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)c(O)c1 ZINC001233384363 943571922 /nfs/dbraw/zinc/57/19/22/943571922.db2.gz SMYDTYJOASDZBZ-DUVNUKRYSA-N 1 2 288.347 1.236 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)c(O)c1 ZINC001233384363 943571926 /nfs/dbraw/zinc/57/19/26/943571926.db2.gz SMYDTYJOASDZBZ-DUVNUKRYSA-N 1 2 288.347 1.236 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2O)C[C@H](C)N1C ZINC001233387173 943573145 /nfs/dbraw/zinc/57/31/45/943573145.db2.gz XTVSHESDZICHFG-TXEJJXNPSA-N 1 2 259.353 1.788 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2O)C[C@H](C)N1C ZINC001233387173 943573148 /nfs/dbraw/zinc/57/31/48/943573148.db2.gz XTVSHESDZICHFG-TXEJJXNPSA-N 1 2 259.353 1.788 20 30 CDEDLO C[C@@H]1CN(Cc2ccc(C#N)cc2O)C[C@H](C)[N@H+]1C ZINC001233387173 943573151 /nfs/dbraw/zinc/57/31/51/943573151.db2.gz XTVSHESDZICHFG-TXEJJXNPSA-N 1 2 259.353 1.788 20 30 CDEDLO C[C@@H]1CN(Cc2ccc(C#N)cc2O)C[C@H](C)[N@@H+]1C ZINC001233387173 943573155 /nfs/dbraw/zinc/57/31/55/943573155.db2.gz XTVSHESDZICHFG-TXEJJXNPSA-N 1 2 259.353 1.788 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1conc1C ZINC001233946430 943698348 /nfs/dbraw/zinc/69/83/48/943698348.db2.gz BGWGQLMXAJPULI-HNNXBMFYSA-N 1 2 289.379 1.819 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1conc1C ZINC001233946430 943698353 /nfs/dbraw/zinc/69/83/53/943698353.db2.gz BGWGQLMXAJPULI-HNNXBMFYSA-N 1 2 289.379 1.819 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NCCC ZINC001234604162 943910769 /nfs/dbraw/zinc/91/07/69/943910769.db2.gz MOXVJKUDVPOQLW-AWEZNQCLSA-N 1 2 295.427 1.402 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NCCC ZINC001234604162 943910773 /nfs/dbraw/zinc/91/07/73/943910773.db2.gz MOXVJKUDVPOQLW-AWEZNQCLSA-N 1 2 295.427 1.402 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(O)cc(OCC)c2)CC1 ZINC001235411119 944148168 /nfs/dbraw/zinc/14/81/68/944148168.db2.gz VAFRNUGIVAWGRF-UHFFFAOYSA-N 1 2 274.364 1.542 20 30 CDEDLO N#CCCC[NH+]1CC2(C1)CCN(Cc1ccc[nH]1)C2 ZINC001277943335 944149122 /nfs/dbraw/zinc/14/91/22/944149122.db2.gz SZKYQYDTTJEHOG-UHFFFAOYSA-N 1 2 258.369 1.826 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(C3CC3)cnc2OC)CC1 ZINC001238029773 945035839 /nfs/dbraw/zinc/03/58/39/945035839.db2.gz ZGMRZCUHWOEBAL-UHFFFAOYSA-N 1 2 285.391 1.718 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CCc2ncnc(OC)c2CC1 ZINC001255170224 947762298 /nfs/dbraw/zinc/76/22/98/947762298.db2.gz PJFSLKMMCHJOLF-NSHDSACASA-N 1 2 260.341 1.578 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CCc2ncnc(OC)c2CC1 ZINC001255170224 947762303 /nfs/dbraw/zinc/76/23/03/947762303.db2.gz PJFSLKMMCHJOLF-NSHDSACASA-N 1 2 260.341 1.578 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@@H](NC(=O)C2CCOCC2)C1 ZINC001255177388 947768422 /nfs/dbraw/zinc/76/84/22/947768422.db2.gz QRPVDOLFVUFCPB-HUUCEWRRSA-N 1 2 293.411 1.686 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CCC[C@@H](NC(=O)C2CCOCC2)C1 ZINC001255177388 947768427 /nfs/dbraw/zinc/76/84/27/947768427.db2.gz QRPVDOLFVUFCPB-HUUCEWRRSA-N 1 2 293.411 1.686 20 30 CDEDLO C=C[C@@H]1C[C@@]1([NH2+]C1CCC(C(=O)OC)CC1)C(=O)OCC ZINC001257857705 948642439 /nfs/dbraw/zinc/64/24/39/948642439.db2.gz WXJSTFJWSFVBJO-WLFBYQNASA-N 1 2 295.379 1.816 20 30 CDEDLO N#Cc1ccn2ncc(C[N@@H+]3CCC4(C3)OCCO4)c2c1 ZINC001249106932 949386005 /nfs/dbraw/zinc/38/60/05/949386005.db2.gz OKMFWARXQQQXNP-UHFFFAOYSA-N 1 2 284.319 1.155 20 30 CDEDLO N#Cc1ccn2ncc(C[N@H+]3CCC4(C3)OCCO4)c2c1 ZINC001249106932 949386027 /nfs/dbraw/zinc/38/60/27/949386027.db2.gz OKMFWARXQQQXNP-UHFFFAOYSA-N 1 2 284.319 1.155 20 30 CDEDLO C#CCOC[C@H](O)CNc1cc(Cl)c2[nH+]ccn2c1 ZINC001251829272 950854738 /nfs/dbraw/zinc/85/47/38/950854738.db2.gz QWZAGLWIYSBOLZ-LLVKDONJSA-N 1 2 279.727 1.410 20 30 CDEDLO C#CCOC[C@H](O)C[NH2+]C1(C(=O)OC)CCC(CC)CC1 ZINC001251893894 950926376 /nfs/dbraw/zinc/92/63/76/950926376.db2.gz MOIPWLKTQDAYLF-NPCAHTBFSA-N 1 2 297.395 1.099 20 30 CDEDLO C=CCC[C@H](O)CNc1ccc(N2CCC(O)CC2)[nH+]c1 ZINC001252588211 951481461 /nfs/dbraw/zinc/48/14/61/951481461.db2.gz KSDRDVPCVUTRCG-HNNXBMFYSA-N 1 2 291.395 1.782 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1csc2cncn21 ZINC001492442340 955890260 /nfs/dbraw/zinc/89/02/60/955890260.db2.gz OPIRRCMMAFIZNF-UHFFFAOYSA-N 1 2 298.799 1.810 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1csc2cncn21 ZINC001492442340 955890271 /nfs/dbraw/zinc/89/02/71/955890271.db2.gz OPIRRCMMAFIZNF-UHFFFAOYSA-N 1 2 298.799 1.810 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1nnc(C)o1 ZINC001366605606 956998748 /nfs/dbraw/zinc/99/87/48/956998748.db2.gz FUEVGTXZJOZQAU-UHFFFAOYSA-N 1 2 286.763 1.111 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1nnc(C)o1 ZINC001366605606 956998755 /nfs/dbraw/zinc/99/87/55/956998755.db2.gz FUEVGTXZJOZQAU-UHFFFAOYSA-N 1 2 286.763 1.111 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)Cc2cnn(C)c2C)C1 ZINC001494558045 972257057 /nfs/dbraw/zinc/25/70/57/972257057.db2.gz LLPKZNLCRKRGMI-UHFFFAOYSA-N 1 2 296.802 1.072 20 30 CDEDLO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@H](C)CC)C1 ZINC001494704802 972292877 /nfs/dbraw/zinc/29/28/77/972292877.db2.gz WNAJPOOVXMBONE-KGLIPLIRSA-N 1 2 295.427 1.448 20 30 CDEDLO C=C(C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)N[C@H](C)CC)C1 ZINC001494704802 972292882 /nfs/dbraw/zinc/29/28/82/972292882.db2.gz WNAJPOOVXMBONE-KGLIPLIRSA-N 1 2 295.427 1.448 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001333086834 958064559 /nfs/dbraw/zinc/06/45/59/958064559.db2.gz UVXLZQXBASGTPY-LBPRGKRZSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001333086834 958064572 /nfs/dbraw/zinc/06/45/72/958064572.db2.gz UVXLZQXBASGTPY-LBPRGKRZSA-N 1 2 254.374 1.426 20 30 CDEDLO C[C@H](C#N)C(=O)NC1(C)CC[NH+](Cc2cscn2)CC1 ZINC001368111755 958643181 /nfs/dbraw/zinc/64/31/81/958643181.db2.gz HOTRYUXRJPZOLV-LLVKDONJSA-N 1 2 292.408 1.773 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ncc(OC)cn1 ZINC001368964729 959334169 /nfs/dbraw/zinc/33/41/69/959334169.db2.gz QNYAXYZRXLNVJK-SNVBAGLBSA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ncc(OC)cn1 ZINC001368964729 959334191 /nfs/dbraw/zinc/33/41/91/959334191.db2.gz QNYAXYZRXLNVJK-SNVBAGLBSA-N 1 2 298.774 1.288 20 30 CDEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1F ZINC001336052292 960177712 /nfs/dbraw/zinc/17/77/12/960177712.db2.gz VGTUYFUMEXVYQZ-UHFFFAOYSA-N 1 2 298.745 1.999 20 30 CDEDLO C#CCOCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1F ZINC001336052292 960177714 /nfs/dbraw/zinc/17/77/14/960177714.db2.gz VGTUYFUMEXVYQZ-UHFFFAOYSA-N 1 2 298.745 1.999 20 30 CDEDLO Cc1nnc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2C#N)o1 ZINC001434465124 961454401 /nfs/dbraw/zinc/45/44/01/961454401.db2.gz DXDXIGLZEDUQJO-SNVBAGLBSA-N 1 2 299.334 1.929 20 30 CDEDLO C=CC[C@H]1NC(=O)N(CCc2cn3c([nH+]2)CCCC3)C1=O ZINC001339059949 962144690 /nfs/dbraw/zinc/14/46/90/962144690.db2.gz CXYWWUDYAQJENA-GFCCVEGCSA-N 1 2 288.351 1.258 20 30 CDEDLO Cc1cnc(C[NH+]2CCC(N(C)C(=O)[C@H](C)C#N)CC2)o1 ZINC001436664327 962330479 /nfs/dbraw/zinc/33/04/79/962330479.db2.gz PSXFTWRUNSGOLJ-LLVKDONJSA-N 1 2 290.367 1.566 20 30 CDEDLO Cc1cc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)on1 ZINC001420181982 962543951 /nfs/dbraw/zinc/54/39/51/962543951.db2.gz DNHRAQCSCFYUCZ-UHFFFAOYSA-N 1 2 298.346 1.717 20 30 CDEDLO Cc1cc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)on1 ZINC001420181982 962543964 /nfs/dbraw/zinc/54/39/64/962543964.db2.gz DNHRAQCSCFYUCZ-UHFFFAOYSA-N 1 2 298.346 1.717 20 30 CDEDLO Cc1cc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)[nH]n1 ZINC001420182132 962545430 /nfs/dbraw/zinc/54/54/30/962545430.db2.gz ORGJHXCQEJDCPM-UHFFFAOYSA-N 1 2 297.362 1.452 20 30 CDEDLO Cc1cc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)[nH]n1 ZINC001420182132 962545440 /nfs/dbraw/zinc/54/54/40/962545440.db2.gz ORGJHXCQEJDCPM-UHFFFAOYSA-N 1 2 297.362 1.452 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC001340830904 963147287 /nfs/dbraw/zinc/14/72/87/963147287.db2.gz LJEGOISNRFRREX-CYBMUJFWSA-N 1 2 292.383 1.250 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCc1cn[nH]c1 ZINC001420651642 963161566 /nfs/dbraw/zinc/16/15/66/963161566.db2.gz MHZIJGFBDARLPI-NSHDSACASA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCc1cn[nH]c1 ZINC001420651642 963161571 /nfs/dbraw/zinc/16/15/71/963161571.db2.gz MHZIJGFBDARLPI-NSHDSACASA-N 1 2 284.791 1.531 20 30 CDEDLO CCc1ccccc1CC[NH+]1CC(NC(=O)[C@H](C)C#N)C1 ZINC001421021892 963419789 /nfs/dbraw/zinc/41/97/89/963419789.db2.gz BCHQXJAKNNFZNT-CYBMUJFWSA-N 1 2 285.391 1.752 20 30 CDEDLO CCOC(=O)C1([NH2+]CCOCCC#N)CCCC1 ZINC001343890080 964171497 /nfs/dbraw/zinc/17/14/97/964171497.db2.gz GPCSPCFFLIJWQT-UHFFFAOYSA-N 1 2 254.330 1.382 20 30 CDEDLO CC(C)C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001443564288 965517162 /nfs/dbraw/zinc/51/71/62/965517162.db2.gz ZMIAMFQJYPLSHR-UHFFFAOYSA-N 1 2 289.354 1.901 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](CC)OCC ZINC001444947583 966016999 /nfs/dbraw/zinc/01/69/99/966016999.db2.gz GOIFIHRBSFRRDN-LBPRGKRZSA-N 1 2 276.808 1.944 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](CC)OCC ZINC001444947583 966017013 /nfs/dbraw/zinc/01/70/13/966017013.db2.gz GOIFIHRBSFRRDN-LBPRGKRZSA-N 1 2 276.808 1.944 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cn(C)nc1CC ZINC001445759056 966325349 /nfs/dbraw/zinc/32/53/49/966325349.db2.gz VGWHKUYWPZWDGS-NSHDSACASA-N 1 2 298.818 1.785 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cn(C)nc1CC ZINC001445759056 966325361 /nfs/dbraw/zinc/32/53/61/966325361.db2.gz VGWHKUYWPZWDGS-NSHDSACASA-N 1 2 298.818 1.785 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc(CC)n[nH]1 ZINC001379030168 975607751 /nfs/dbraw/zinc/60/77/51/975607751.db2.gz ZWCTXOHOEDLXEW-UHFFFAOYSA-N 1 2 284.791 1.728 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc(CC)n[nH]1 ZINC001379030168 975607757 /nfs/dbraw/zinc/60/77/57/975607757.db2.gz ZWCTXOHOEDLXEW-UHFFFAOYSA-N 1 2 284.791 1.728 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCc1ccncc1 ZINC001399515850 976538758 /nfs/dbraw/zinc/53/87/58/976538758.db2.gz UQWHYGAADNNXQZ-UHFFFAOYSA-N 1 2 281.787 1.815 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCc1ccncc1 ZINC001399515850 976538770 /nfs/dbraw/zinc/53/87/70/976538770.db2.gz UQWHYGAADNNXQZ-UHFFFAOYSA-N 1 2 281.787 1.815 20 30 CDEDLO CCc1nnc(C[N@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)o1 ZINC001380949920 976622388 /nfs/dbraw/zinc/62/23/88/976622388.db2.gz ROYNXCCWMYVJAA-NSHDSACASA-N 1 2 293.371 1.072 20 30 CDEDLO CCc1nnc(C[N@@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)o1 ZINC001380949920 976622395 /nfs/dbraw/zinc/62/23/95/976622395.db2.gz ROYNXCCWMYVJAA-NSHDSACASA-N 1 2 293.371 1.072 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001132303978 1163236155 /nfs/dbraw/zinc/23/61/55/1163236155.db2.gz COQIZAPCPYIGLC-UHFFFAOYSA-N 1 2 280.372 1.440 20 30 CDEDLO C=CCC1(C(=O)NCC[NH2+]Cc2nonc2C)CCC1 ZINC001133392354 1163671118 /nfs/dbraw/zinc/67/11/18/1163671118.db2.gz SQZSQVBZIICUFC-UHFFFAOYSA-N 1 2 278.356 1.330 20 30 CDEDLO C=CCCCC(=O)N(C)CC(C)(C)C[NH2+]Cc1c[nH]nn1 ZINC001575087187 1171110314 /nfs/dbraw/zinc/11/03/14/1171110314.db2.gz BBLAWERLVRHJMQ-UHFFFAOYSA-N 1 2 293.415 1.735 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(c2c[nH]nc2C)CC1 ZINC000585754946 342454960 /nfs/dbraw/zinc/45/49/60/342454960.db2.gz XGAMBJPFIQVBJR-ZDUSSCGKSA-N 1 2 263.341 1.625 20 30 CDEDLO N#CC1(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000601180499 342488130 /nfs/dbraw/zinc/48/81/30/342488130.db2.gz QCOSXGBTMWSFSE-UHFFFAOYSA-N 1 2 266.304 1.587 20 30 CDEDLO N#Cc1ccncc1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000589835221 342515103 /nfs/dbraw/zinc/51/51/03/342515103.db2.gz JYJXBOGMTVDGLX-UHFFFAOYSA-N 1 2 280.287 1.252 20 30 CDEDLO CC(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000308287478 342543499 /nfs/dbraw/zinc/54/34/99/342543499.db2.gz FBVSBOVUXRNDQL-UHFFFAOYSA-N 1 2 265.744 1.780 20 30 CDEDLO CC(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000308287478 342543500 /nfs/dbraw/zinc/54/35/00/342543500.db2.gz FBVSBOVUXRNDQL-UHFFFAOYSA-N 1 2 265.744 1.780 20 30 CDEDLO CC(C)[NH+]1CC(NC(=O)c2cc(O)cc(C#N)c2)C1 ZINC000590910422 342608226 /nfs/dbraw/zinc/60/82/26/342608226.db2.gz HIZXLWGNWLYEJE-UHFFFAOYSA-N 1 2 259.309 1.086 20 30 CDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000590972276 342612516 /nfs/dbraw/zinc/61/25/16/342612516.db2.gz CEULUZFYPVVMBG-HIFRSBDPSA-N 1 2 285.347 1.608 20 30 CDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000590972276 342612517 /nfs/dbraw/zinc/61/25/17/342612517.db2.gz CEULUZFYPVVMBG-HIFRSBDPSA-N 1 2 285.347 1.608 20 30 CDEDLO C[C@@H](Nc1ncc(C#N)cc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000591150688 342618749 /nfs/dbraw/zinc/61/87/49/342618749.db2.gz MZWFIIXBKHJQEE-SKDRFNHKSA-N 1 2 264.304 1.223 20 30 CDEDLO C[C@@H](Nc1ncc(C#N)cc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000591150688 342618750 /nfs/dbraw/zinc/61/87/50/342618750.db2.gz MZWFIIXBKHJQEE-SKDRFNHKSA-N 1 2 264.304 1.223 20 30 CDEDLO C=CCC[C@H]([NH2+]C[C@H]1CNc2ccnn2C1)C(=O)OCC ZINC000592514866 342701000 /nfs/dbraw/zinc/70/10/00/342701000.db2.gz GBIKJAZDLCAOSN-STQMWFEESA-N 1 2 292.383 1.412 20 30 CDEDLO CC[C@H](C)[C@@H](OC)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593153024 342773971 /nfs/dbraw/zinc/77/39/71/342773971.db2.gz DYQMFJMLPGAPDH-DMDPSCGWSA-N 1 2 255.362 1.008 20 30 CDEDLO C[C@@H]1CCC[C@@H]1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593154852 342774299 /nfs/dbraw/zinc/77/42/99/342774299.db2.gz LPEGNPMEVIZLSP-YRGRVCCFSA-N 1 2 251.374 1.773 20 30 CDEDLO C=C(C)C[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000096954721 185140844 /nfs/dbraw/zinc/14/08/44/185140844.db2.gz CBHRIJVAKMQRQP-UHFFFAOYSA-N 1 2 298.383 1.708 20 30 CDEDLO N#CC1(C[NH2+]Cc2cnnn2-c2ccccc2)CC1 ZINC000593622679 342816472 /nfs/dbraw/zinc/81/64/72/342816472.db2.gz RNYXNKILCDCKLP-UHFFFAOYSA-N 1 2 253.309 1.661 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1nc(C)cs1 ZINC000594010451 342863181 /nfs/dbraw/zinc/86/31/81/342863181.db2.gz GUVPZXBOUBHXDY-SECBINFHSA-N 1 2 252.343 1.672 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@](F)(C#N)C1 ZINC000594343304 342891220 /nfs/dbraw/zinc/89/12/20/342891220.db2.gz NSTRPXCEOGSSSM-SKDRFNHKSA-N 1 2 250.277 1.052 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@](F)(C#N)C1 ZINC000594343304 342891221 /nfs/dbraw/zinc/89/12/21/342891221.db2.gz NSTRPXCEOGSSSM-SKDRFNHKSA-N 1 2 250.277 1.052 20 30 CDEDLO C=CCC1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCOCC1 ZINC000618248695 342264441 /nfs/dbraw/zinc/26/44/41/342264441.db2.gz RMNKQHIFCGQZOE-CYBMUJFWSA-N 1 2 289.379 1.687 20 30 CDEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3C(N)=O)o2)c1 ZINC000075618386 342313671 /nfs/dbraw/zinc/31/36/71/342313671.db2.gz PQQAJVGDIVQZHR-LBPRGKRZSA-N 1 2 297.318 1.058 20 30 CDEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H]3C(N)=O)o2)c1 ZINC000075618386 342313672 /nfs/dbraw/zinc/31/36/72/342313672.db2.gz PQQAJVGDIVQZHR-LBPRGKRZSA-N 1 2 297.318 1.058 20 30 CDEDLO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000329956385 362103260 /nfs/dbraw/zinc/10/32/60/362103260.db2.gz PAPDUERWFFOZRM-GRYCIOLGSA-N 1 2 288.413 1.393 20 30 CDEDLO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000329956385 362103266 /nfs/dbraw/zinc/10/32/66/362103266.db2.gz PAPDUERWFFOZRM-GRYCIOLGSA-N 1 2 288.413 1.393 20 30 CDEDLO CC[N@H+](C[C@H](O)Cc1ccc(F)cc1)[C@@H](C)C#N ZINC000595820598 343165958 /nfs/dbraw/zinc/16/59/58/343165958.db2.gz MZNDAQDOYRPRHZ-SMDDNHRTSA-N 1 2 250.317 1.963 20 30 CDEDLO CC[N@@H+](C[C@H](O)Cc1ccc(F)cc1)[C@@H](C)C#N ZINC000595820598 343165959 /nfs/dbraw/zinc/16/59/59/343165959.db2.gz MZNDAQDOYRPRHZ-SMDDNHRTSA-N 1 2 250.317 1.963 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)Nc2sccc2C#N)C[C@]1(C)CO ZINC000595870476 343176755 /nfs/dbraw/zinc/17/67/55/343176755.db2.gz GOKLPLLIXNDKSN-QMTHXVAHSA-N 1 2 293.392 1.509 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)C[C@]1(C)CO ZINC000595870476 343176757 /nfs/dbraw/zinc/17/67/57/343176757.db2.gz GOKLPLLIXNDKSN-QMTHXVAHSA-N 1 2 293.392 1.509 20 30 CDEDLO C#CCNC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000080621396 342358012 /nfs/dbraw/zinc/35/80/12/342358012.db2.gz YDWBNLHKLKTRNX-UHFFFAOYSA-N 1 2 282.347 1.706 20 30 CDEDLO N#Cc1cnnc(N2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000596169102 343258414 /nfs/dbraw/zinc/25/84/14/343258414.db2.gz QLXPSZVTAWPURW-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO Cc1nc(N(C)C)nc(NCCc2ccc(C#N)cc2)[nH+]1 ZINC000596320077 343302083 /nfs/dbraw/zinc/30/20/83/343302083.db2.gz LPKQFSKEDYHWOL-UHFFFAOYSA-N 1 2 282.351 1.194 20 30 CDEDLO Cc1nc(NCCc2ccc(C#N)cc2)nc(N(C)C)[nH+]1 ZINC000596320077 343302085 /nfs/dbraw/zinc/30/20/85/343302085.db2.gz LPKQFSKEDYHWOL-UHFFFAOYSA-N 1 2 282.351 1.194 20 30 CDEDLO C#CCC[NH+]1CCN(c2nnc(C(F)F)s2)CC1 ZINC000091480498 342404368 /nfs/dbraw/zinc/40/43/68/342404368.db2.gz KDUJGODKFSJXSA-UHFFFAOYSA-N 1 2 272.324 1.621 20 30 CDEDLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@@H](CC#N)C1 ZINC000596816524 343398869 /nfs/dbraw/zinc/39/88/69/343398869.db2.gz JHAJCWXTVNCSDI-LBPRGKRZSA-N 1 2 258.325 1.970 20 30 CDEDLO CC[C@@H]1COCCN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330283642 362206632 /nfs/dbraw/zinc/20/66/32/362206632.db2.gz WIIWHFIFNYJARB-VXGBXAGGSA-N 1 2 278.356 1.223 20 30 CDEDLO CCc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCC#N)o1 ZINC000332378688 529727170 /nfs/dbraw/zinc/72/71/70/529727170.db2.gz NVPREHCPPCTZLT-GFCCVEGCSA-N 1 2 261.325 1.619 20 30 CDEDLO CCc1ccc([C@H]2CCC[N@H+]2CC(=O)NCC#N)o1 ZINC000332378688 529727172 /nfs/dbraw/zinc/72/71/72/529727172.db2.gz NVPREHCPPCTZLT-GFCCVEGCSA-N 1 2 261.325 1.619 20 30 CDEDLO C#CCO[C@H](C)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000295049674 199319462 /nfs/dbraw/zinc/31/94/62/199319462.db2.gz GNJGISRPJQAAAX-MJBXVCDLSA-N 1 2 275.352 1.331 20 30 CDEDLO CC(C)[C@@H](C#N)N1CC[NH+](C[C@](C)(O)C(F)(F)F)CC1 ZINC000619621035 349822858 /nfs/dbraw/zinc/82/28/58/349822858.db2.gz NRVIASZITGGULU-NEPJUHHUSA-N 1 2 293.333 1.465 20 30 CDEDLO N#Cc1ccc2c(c1)CCN2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000597773340 343631200 /nfs/dbraw/zinc/63/12/00/343631200.db2.gz RSAGTMDBVVIFGY-AWEZNQCLSA-N 1 2 292.342 1.906 20 30 CDEDLO CC1CC(C#N)(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)C1 ZINC000597995420 343684862 /nfs/dbraw/zinc/68/48/62/343684862.db2.gz GBRFCEIRNKXYJK-DNCHLWJUSA-N 1 2 279.384 1.152 20 30 CDEDLO CC1CC(C#N)(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)C1 ZINC000597995420 343684863 /nfs/dbraw/zinc/68/48/63/343684863.db2.gz GBRFCEIRNKXYJK-DNCHLWJUSA-N 1 2 279.384 1.152 20 30 CDEDLO C[C@H](C#N)N(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000598132198 343723234 /nfs/dbraw/zinc/72/32/34/343723234.db2.gz RIAOZFITVLHRIU-GHMZBOCLSA-N 1 2 258.325 1.349 20 30 CDEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353171347 529866911 /nfs/dbraw/zinc/86/69/11/529866911.db2.gz IDNGPLTZCHFMAM-SNVBAGLBSA-N 1 2 259.300 1.478 20 30 CDEDLO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H]1C(F)F ZINC000353171347 529866912 /nfs/dbraw/zinc/86/69/12/529866912.db2.gz IDNGPLTZCHFMAM-SNVBAGLBSA-N 1 2 259.300 1.478 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000619719315 349869738 /nfs/dbraw/zinc/86/97/38/349869738.db2.gz NFHHBSSGGXWDAB-AWEZNQCLSA-N 1 2 261.321 1.520 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCc2ccc(O)cc2CC1 ZINC000619719315 349869743 /nfs/dbraw/zinc/86/97/43/349869743.db2.gz NFHHBSSGGXWDAB-AWEZNQCLSA-N 1 2 261.321 1.520 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](C(C)(C)C(=O)OC)C1 ZINC000619720200 349870250 /nfs/dbraw/zinc/87/02/50/349870250.db2.gz OFXPKBUAMCYZPY-NWDGAFQWSA-N 1 2 283.368 1.625 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](C(C)(C)C(=O)OC)C1 ZINC000619720200 349870255 /nfs/dbraw/zinc/87/02/55/349870255.db2.gz OFXPKBUAMCYZPY-NWDGAFQWSA-N 1 2 283.368 1.625 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598465100 343806439 /nfs/dbraw/zinc/80/64/39/343806439.db2.gz PATDRWQARYRDSE-VIFPVBQESA-N 1 2 257.297 1.419 20 30 CDEDLO C[C@@H]1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)C[C@H](C)[S@@]1=O ZINC000598615324 343842952 /nfs/dbraw/zinc/84/29/52/343842952.db2.gz KKDMPJIMCLBTMZ-DBYGNECLSA-N 1 2 272.414 1.128 20 30 CDEDLO C[C@@H]1C[N@H+](C[C@@H](O)CC(C)(C)C#N)C[C@H](C)[S@@]1=O ZINC000598615324 343842955 /nfs/dbraw/zinc/84/29/55/343842955.db2.gz KKDMPJIMCLBTMZ-DBYGNECLSA-N 1 2 272.414 1.128 20 30 CDEDLO C[C@@H](O)C[N@H+](CC(F)F)C[C@H](O)CC(C)(C)C#N ZINC000598622282 343845691 /nfs/dbraw/zinc/84/56/91/343845691.db2.gz ZZNQAZNMBXTREW-NXEZZACHSA-N 1 2 264.316 1.235 20 30 CDEDLO C[C@@H](O)C[N@@H+](CC(F)F)C[C@H](O)CC(C)(C)C#N ZINC000598622282 343845692 /nfs/dbraw/zinc/84/56/92/343845692.db2.gz ZZNQAZNMBXTREW-NXEZZACHSA-N 1 2 264.316 1.235 20 30 CDEDLO CCC(C#N)(CC)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000598991157 343936003 /nfs/dbraw/zinc/93/60/03/343936003.db2.gz LPQOZHIYIGKFRR-CQSZACIVSA-N 1 2 295.427 1.789 20 30 CDEDLO C[N@@H+]1CCOC[C@H]1CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000599160836 343971261 /nfs/dbraw/zinc/97/12/61/343971261.db2.gz QAIXLDZOUMZPQQ-LLVKDONJSA-N 1 2 276.296 1.209 20 30 CDEDLO C[N@H+]1CCOC[C@H]1CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000599160836 343971264 /nfs/dbraw/zinc/97/12/64/343971264.db2.gz QAIXLDZOUMZPQQ-LLVKDONJSA-N 1 2 276.296 1.209 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCc2c(O)cccc2C1)C1CC1 ZINC000599646362 344112984 /nfs/dbraw/zinc/11/29/84/344112984.db2.gz IOZLOVJEVSWIKS-QGZVFWFLSA-N 1 2 299.374 1.559 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCc2c(O)cccc2C1)C1CC1 ZINC000599646362 344112986 /nfs/dbraw/zinc/11/29/86/344112986.db2.gz IOZLOVJEVSWIKS-QGZVFWFLSA-N 1 2 299.374 1.559 20 30 CDEDLO Cc1cc(C2([NH2+]CC3(C#N)CC3)CCOCC2)on1 ZINC000599676505 344116399 /nfs/dbraw/zinc/11/63/99/344116399.db2.gz SYFUPRKOUIWZCM-UHFFFAOYSA-N 1 2 261.325 1.882 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H]1CCOC(C)(C)C1)C(=O)OC ZINC000602642741 344512393 /nfs/dbraw/zinc/51/23/93/344512393.db2.gz LXGIHGNYINXUHJ-RYUDHWBXSA-N 1 2 271.357 1.278 20 30 CDEDLO C=CCCOCCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000127242955 187291267 /nfs/dbraw/zinc/29/12/67/187291267.db2.gz ULWSBUOPYQVQJU-UHFFFAOYSA-N 1 2 288.351 1.726 20 30 CDEDLO CCc1nsc(N2CC[NH+](CC3(CC#N)CC3)CC2)n1 ZINC000602781943 344597080 /nfs/dbraw/zinc/59/70/80/344597080.db2.gz IHUKJDAWBBBHEF-UHFFFAOYSA-N 1 2 291.424 1.916 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)NC1(C#N)CCCCC1 ZINC000602862959 344618014 /nfs/dbraw/zinc/61/80/14/344618014.db2.gz LJHFQZYRXXNFRL-NWDGAFQWSA-N 1 2 262.357 1.609 20 30 CDEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)CC1(CC#N)CC1 ZINC000602788906 344601367 /nfs/dbraw/zinc/60/13/67/344601367.db2.gz XXWSVKBNZQQMCA-GHMZBOCLSA-N 1 2 258.387 1.434 20 30 CDEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)CC1(CC#N)CC1 ZINC000602788906 344601368 /nfs/dbraw/zinc/60/13/68/344601368.db2.gz XXWSVKBNZQQMCA-GHMZBOCLSA-N 1 2 258.387 1.434 20 30 CDEDLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167731 347065782 /nfs/dbraw/zinc/06/57/82/347065782.db2.gz WBXNPHWATLDFFR-OBJOEFQTSA-N 1 2 251.374 1.915 20 30 CDEDLO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167731 347065786 /nfs/dbraw/zinc/06/57/86/347065786.db2.gz WBXNPHWATLDFFR-OBJOEFQTSA-N 1 2 251.374 1.915 20 30 CDEDLO Cc1cccc(C)c1OCCNC(=O)C[NH2+][C@H](C)CC#N ZINC000602863279 344623013 /nfs/dbraw/zinc/62/30/13/344623013.db2.gz OJKGVJIYLPRFQY-CQSZACIVSA-N 1 2 289.379 1.690 20 30 CDEDLO CCCn1nccc1NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000602882259 344633207 /nfs/dbraw/zinc/63/32/07/344633207.db2.gz BGRNKXZCULSMSC-CYBMUJFWSA-N 1 2 289.383 1.857 20 30 CDEDLO CCCn1nccc1NC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000602882259 344633210 /nfs/dbraw/zinc/63/32/10/344633210.db2.gz BGRNKXZCULSMSC-CYBMUJFWSA-N 1 2 289.383 1.857 20 30 CDEDLO COC(=O)[C@H]1CC[C@@H](C(=O)OC)[N@H+](CC2(CC#N)CC2)C1 ZINC000602917035 344649294 /nfs/dbraw/zinc/64/92/94/344649294.db2.gz QEUNFTMZPFBYHH-RYUDHWBXSA-N 1 2 294.351 1.107 20 30 CDEDLO COC(=O)[C@H]1CC[C@@H](C(=O)OC)[N@@H+](CC2(CC#N)CC2)C1 ZINC000602917035 344649296 /nfs/dbraw/zinc/64/92/96/344649296.db2.gz QEUNFTMZPFBYHH-RYUDHWBXSA-N 1 2 294.351 1.107 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCc2ccc(C#N)cc2)nn1 ZINC000603247543 344750896 /nfs/dbraw/zinc/75/08/96/344750896.db2.gz MCQHQLDOGORVOD-UHFFFAOYSA-N 1 2 279.347 1.505 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccccc2C(=O)OC)nn1 ZINC000603210290 344743237 /nfs/dbraw/zinc/74/32/37/344743237.db2.gz CBLZQDVVZVKAJD-UHFFFAOYSA-N 1 2 298.346 1.226 20 30 CDEDLO CC(C)(C#N)CCCn1cc(Cn2cc[nH+]c2)nn1 ZINC000603259206 344754810 /nfs/dbraw/zinc/75/48/10/344754810.db2.gz GMDSSDFOZSCEKJ-UHFFFAOYSA-N 1 2 258.329 1.853 20 30 CDEDLO COCc1cc(C#N)ccc1N1CCn2c[nH+]cc2C1 ZINC000603382183 344792794 /nfs/dbraw/zinc/79/27/94/344792794.db2.gz MLNQDDCYDJSDNP-UHFFFAOYSA-N 1 2 268.320 1.921 20 30 CDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCn1cc[nH+]c1 ZINC000043946901 344883755 /nfs/dbraw/zinc/88/37/55/344883755.db2.gz QFXDMNCTQVTISZ-LBPRGKRZSA-N 1 2 284.319 1.338 20 30 CDEDLO Cc1cc(N2CCN(c3cc(C#N)ccn3)CC2)nc[nH+]1 ZINC000609495728 345050393 /nfs/dbraw/zinc/05/03/93/345050393.db2.gz ZTEDFEMZVODRMZ-UHFFFAOYSA-N 1 2 280.335 1.378 20 30 CDEDLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCOc1ccccc1C#N ZINC000129228602 362535144 /nfs/dbraw/zinc/53/51/44/362535144.db2.gz NWNBMACAYZUHEB-TZMCWYRMSA-N 1 2 276.336 1.019 20 30 CDEDLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CCOc1ccccc1C#N ZINC000129228602 362535148 /nfs/dbraw/zinc/53/51/48/362535148.db2.gz NWNBMACAYZUHEB-TZMCWYRMSA-N 1 2 276.336 1.019 20 30 CDEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCn2ccccc2=O)CC1 ZINC000609539229 345595938 /nfs/dbraw/zinc/59/59/38/345595938.db2.gz WBQQGLQPNXGGFC-OAHLLOKOSA-N 1 2 288.395 1.014 20 30 CDEDLO COC(=O)C[C@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000249286214 362628741 /nfs/dbraw/zinc/62/87/41/362628741.db2.gz PKVZACPIEBSXHH-DOMZBBRYSA-N 1 2 288.347 1.883 20 30 CDEDLO COC(=O)C[C@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000249286214 362628747 /nfs/dbraw/zinc/62/87/47/362628747.db2.gz PKVZACPIEBSXHH-DOMZBBRYSA-N 1 2 288.347 1.883 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000448899672 362604126 /nfs/dbraw/zinc/60/41/26/362604126.db2.gz WXJJFWOELOPSKV-UHFFFAOYSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000448899672 362604130 /nfs/dbraw/zinc/60/41/30/362604130.db2.gz WXJJFWOELOPSKV-UHFFFAOYSA-N 1 2 254.374 1.426 20 30 CDEDLO C#CCNC(=O)[C@H](C)N1CC[NH+](Cc2ccsc2)CC1 ZINC000042531948 345985679 /nfs/dbraw/zinc/98/56/79/345985679.db2.gz YKEGPOFKTUCJHP-ZDUSSCGKSA-N 1 2 291.420 1.004 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccsc2)CC1 ZINC000042531948 345985681 /nfs/dbraw/zinc/98/56/81/345985681.db2.gz YKEGPOFKTUCJHP-ZDUSSCGKSA-N 1 2 291.420 1.004 20 30 CDEDLO COc1ccc(CN2CC[C@@H]([NH2+][C@H](C)CC#N)C2=O)cc1 ZINC000609678318 345989285 /nfs/dbraw/zinc/98/92/85/345989285.db2.gz XMPUSQQDCSAONH-IUODEOHRSA-N 1 2 287.363 1.688 20 30 CDEDLO Cc1cc(NC2CCN(CC#N)CC2)nc(C2CC2)[nH+]1 ZINC000609703780 345989946 /nfs/dbraw/zinc/98/99/46/345989946.db2.gz IJYCNZWSQWUXPN-UHFFFAOYSA-N 1 2 271.368 1.484 20 30 CDEDLO CN(C)c1nc(C[NH2+]C[C@H](C#N)CCC#N)cs1 ZINC000610480877 346290033 /nfs/dbraw/zinc/29/00/33/346290033.db2.gz ULPZSDBJQBBVCB-JTQLQIEISA-N 1 2 263.370 1.742 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000610676571 346349620 /nfs/dbraw/zinc/34/96/20/346349620.db2.gz VYADJGSZRGHUCU-CABZTGNLSA-N 1 2 279.290 1.962 20 30 CDEDLO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)CC#N)C1=O ZINC000610681683 346356826 /nfs/dbraw/zinc/35/68/26/346356826.db2.gz DZBIDCDMDDMMHT-NWDGAFQWSA-N 1 2 273.336 1.692 20 30 CDEDLO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1cn[nH]c1 ZINC000610662143 346336120 /nfs/dbraw/zinc/33/61/20/346336120.db2.gz NKOWJZLIIREDGW-UHFFFAOYSA-N 1 2 283.335 1.030 20 30 CDEDLO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1cn[nH]c1 ZINC000610662143 346336127 /nfs/dbraw/zinc/33/61/27/346336127.db2.gz NKOWJZLIIREDGW-UHFFFAOYSA-N 1 2 283.335 1.030 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000610797717 346433689 /nfs/dbraw/zinc/43/36/89/346433689.db2.gz BXPUTEPWLUTCEI-JTQLQIEISA-N 1 2 270.329 1.491 20 30 CDEDLO N#Cc1cc(CN2CC[NH+](Cc3ccco3)CC2)ccn1 ZINC000610991965 346568019 /nfs/dbraw/zinc/56/80/19/346568019.db2.gz WZFHGRZNNBTFQF-UHFFFAOYSA-N 1 2 282.347 1.864 20 30 CDEDLO C=CC[NH+]1CCN(Cc2nc([C@H](C)OCC)no2)CC1 ZINC000075916144 346717252 /nfs/dbraw/zinc/71/72/52/346717252.db2.gz MFWGZBZLOYFBKI-LBPRGKRZSA-N 1 2 280.372 1.471 20 30 CDEDLO COCC#CC[N@H+](CC(=O)OC(C)(C)C)C(C)C ZINC000611225691 346698436 /nfs/dbraw/zinc/69/84/36/346698436.db2.gz CQJDCGLIAUUREM-UHFFFAOYSA-N 1 2 255.358 1.688 20 30 CDEDLO COCC#CC[N@@H+](CC(=O)OC(C)(C)C)C(C)C ZINC000611225691 346698438 /nfs/dbraw/zinc/69/84/38/346698438.db2.gz CQJDCGLIAUUREM-UHFFFAOYSA-N 1 2 255.358 1.688 20 30 CDEDLO CC(C)Cn1cc[nH+]c1CNC(=O)[C@]1(C#N)C[C@H]1C ZINC000449933475 362782586 /nfs/dbraw/zinc/78/25/86/362782586.db2.gz BLFRHGNXLDVXHR-RISCZKNCSA-N 1 2 260.341 1.705 20 30 CDEDLO C#CC[N@@H+](CC(=O)NC(=O)NC1CC1)Cc1ccccc1 ZINC000491178782 347579299 /nfs/dbraw/zinc/57/92/99/347579299.db2.gz BITHJBKFRSKHJV-UHFFFAOYSA-N 1 2 285.347 1.110 20 30 CDEDLO C#CC[N@H+](CC(=O)NC(=O)NC1CC1)Cc1ccccc1 ZINC000491178782 347579301 /nfs/dbraw/zinc/57/93/01/347579301.db2.gz BITHJBKFRSKHJV-UHFFFAOYSA-N 1 2 285.347 1.110 20 30 CDEDLO C#C[C@@H](CC)NC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000491475394 347582962 /nfs/dbraw/zinc/58/29/62/347582962.db2.gz WIMBOFXUYARGCI-LBPRGKRZSA-N 1 2 270.336 1.854 20 30 CDEDLO C=C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)C(=O)OC ZINC000619703209 347957703 /nfs/dbraw/zinc/95/77/03/347957703.db2.gz IBRPIEBWVWIBEA-XQHKEYJVSA-N 1 2 265.353 1.651 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000619717775 348186275 /nfs/dbraw/zinc/18/62/75/348186275.db2.gz IQWSRDLBKHCPRT-VXGBXAGGSA-N 1 2 290.367 1.131 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000619717775 348186278 /nfs/dbraw/zinc/18/62/78/348186278.db2.gz IQWSRDLBKHCPRT-VXGBXAGGSA-N 1 2 290.367 1.131 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000615330007 348443387 /nfs/dbraw/zinc/44/33/87/348443387.db2.gz WXBJXXBMVAIFLD-QWRGUYRKSA-N 1 2 294.317 1.720 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000615330007 348443390 /nfs/dbraw/zinc/44/33/90/348443390.db2.gz WXBJXXBMVAIFLD-QWRGUYRKSA-N 1 2 294.317 1.720 20 30 CDEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000025941495 348657752 /nfs/dbraw/zinc/65/77/52/348657752.db2.gz UPEGDTIEBWKUMB-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO C[C@H](CNc1cccc(F)c1C#N)[NH+]1CCN(C)CC1 ZINC000057838244 348848219 /nfs/dbraw/zinc/84/82/19/348848219.db2.gz CCXWJGXFPWTQEV-GFCCVEGCSA-N 1 2 276.359 1.745 20 30 CDEDLO CCC1(O)CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000072724974 349130981 /nfs/dbraw/zinc/13/09/81/349130981.db2.gz PEZBLRFKVYKVHH-AWEZNQCLSA-N 1 2 287.363 1.322 20 30 CDEDLO Cc1nn(Cc2[nH+]ccn2C(F)F)c(=O)c(C#N)c1C ZINC000073121984 349152130 /nfs/dbraw/zinc/15/21/30/349152130.db2.gz XCOOTDGZZCJXKA-UHFFFAOYSA-N 1 2 279.250 1.372 20 30 CDEDLO C=C[C@@](C)(O)C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000616195433 349340615 /nfs/dbraw/zinc/34/06/15/349340615.db2.gz ZWYNLFORKVHMKE-LLVKDONJSA-N 1 2 255.343 1.080 20 30 CDEDLO C=CCOCCNC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000620163018 350074321 /nfs/dbraw/zinc/07/43/21/350074321.db2.gz ZXJRBCJECJAMRB-UONOGXRCSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CCOCCNC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000620163018 350074324 /nfs/dbraw/zinc/07/43/24/350074324.db2.gz ZXJRBCJECJAMRB-UONOGXRCSA-N 1 2 284.400 1.195 20 30 CDEDLO C#CCOc1ccc([C@H](C)[NH2+]Cc2ncn(C)n2)cc1 ZINC000090970112 180077702 /nfs/dbraw/zinc/07/77/02/180077702.db2.gz COBLJFGEPNERSR-LBPRGKRZSA-N 1 2 270.336 1.678 20 30 CDEDLO COCC[C@H]1COCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602677695 350140898 /nfs/dbraw/zinc/14/08/98/350140898.db2.gz RVSRXKUKPUVAFL-AWEZNQCLSA-N 1 2 261.325 1.191 20 30 CDEDLO COCC[C@H]1COCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602677695 350140900 /nfs/dbraw/zinc/14/09/00/350140900.db2.gz RVSRXKUKPUVAFL-AWEZNQCLSA-N 1 2 261.325 1.191 20 30 CDEDLO COCC[N@H+](C)Cc1cn(Cc2ccc(C#N)cc2)nn1 ZINC000603160151 350220895 /nfs/dbraw/zinc/22/08/95/350220895.db2.gz HASDTILSFYTPHW-UHFFFAOYSA-N 1 2 285.351 1.276 20 30 CDEDLO COCC[N@@H+](C)Cc1cn(Cc2ccc(C#N)cc2)nn1 ZINC000603160151 350220897 /nfs/dbraw/zinc/22/08/97/350220897.db2.gz HASDTILSFYTPHW-UHFFFAOYSA-N 1 2 285.351 1.276 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000622084007 350982107 /nfs/dbraw/zinc/98/21/07/350982107.db2.gz PSNLDCJBFNREPV-GWCFXTLKSA-N 1 2 251.330 1.407 20 30 CDEDLO COc1ccc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)cc1C#N ZINC000168020051 363200479 /nfs/dbraw/zinc/20/04/79/363200479.db2.gz CIAXGZRFNUYMCN-SMDDNHRTSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1ccc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)cc1C#N ZINC000168020051 363200484 /nfs/dbraw/zinc/20/04/84/363200484.db2.gz CIAXGZRFNUYMCN-SMDDNHRTSA-N 1 2 276.336 1.148 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000292578307 198339188 /nfs/dbraw/zinc/33/91/88/198339188.db2.gz HZPHTKJUVNIDOB-GFCCVEGCSA-N 1 2 297.362 1.639 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCc2cccc(F)c2C1 ZINC000157964696 188349946 /nfs/dbraw/zinc/34/99/46/188349946.db2.gz COZUYOBXDGWJKB-LLVKDONJSA-N 1 2 260.312 1.322 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCc2cccc(F)c2C1 ZINC000157964696 188349948 /nfs/dbraw/zinc/34/99/48/188349948.db2.gz COZUYOBXDGWJKB-LLVKDONJSA-N 1 2 260.312 1.322 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@H](c1nnc[nH]1)C1CCCCC1 ZINC000644543294 366169613 /nfs/dbraw/zinc/16/96/13/366169613.db2.gz UUBIYECUSQIJNT-ZDUSSCGKSA-N 1 2 277.372 1.318 20 30 CDEDLO C#Cc1cccc(NC(=O)CNC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492814227 366182205 /nfs/dbraw/zinc/18/22/05/366182205.db2.gz TZNVWTSZKLFFNT-VOTSOKGWSA-N 1 2 294.314 1.159 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000172745446 188824873 /nfs/dbraw/zinc/82/48/73/188824873.db2.gz DKAFOYUKEWXPER-UHFFFAOYSA-N 1 2 272.348 1.476 20 30 CDEDLO C#CC[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)C1CC1 ZINC000491651682 332264862 /nfs/dbraw/zinc/26/48/62/332264862.db2.gz IGWUDGBIFSYDRX-CYBMUJFWSA-N 1 2 250.386 1.977 20 30 CDEDLO CO[C@H]1C[C@@H](C(=O)Nc2scnc2C)[N@H+](C)C1 ZINC000328940023 538443561 /nfs/dbraw/zinc/44/35/61/538443561.db2.gz DVNZTLVLBDIBTK-IUCAKERBSA-N 1 2 255.343 1.759 20 30 CDEDLO CO[C@H]1C[C@@H](C(=O)Nc2scnc2C)[N@@H+](C)C1 ZINC000328940023 538443562 /nfs/dbraw/zinc/44/35/62/538443562.db2.gz DVNZTLVLBDIBTK-IUCAKERBSA-N 1 2 255.343 1.759 20 30 CDEDLO CC#CC[C@@H](CO)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000636114358 363545273 /nfs/dbraw/zinc/54/52/73/363545273.db2.gz ZHUWJTCBOSPHHA-LBPRGKRZSA-N 1 2 299.330 1.082 20 30 CDEDLO N#CCc1cccc(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000042196339 357057536 /nfs/dbraw/zinc/05/75/36/357057536.db2.gz HCLMDOFYTOMGNV-UHFFFAOYSA-N 1 2 268.320 1.769 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)c1c[nH]c(C#N)c1 ZINC000181352475 357338217 /nfs/dbraw/zinc/33/82/17/357338217.db2.gz WZUAPSHQFJUNQA-UHFFFAOYSA-N 1 2 257.297 1.245 20 30 CDEDLO CC1(C)CNC(=O)C[N@@H+]1CCOc1cccc(C#N)c1 ZINC000282846786 357478037 /nfs/dbraw/zinc/47/80/37/357478037.db2.gz TVHOLPSHTCVDKL-UHFFFAOYSA-N 1 2 273.336 1.147 20 30 CDEDLO CC1(C)CNC(=O)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000282846786 357478040 /nfs/dbraw/zinc/47/80/40/357478040.db2.gz TVHOLPSHTCVDKL-UHFFFAOYSA-N 1 2 273.336 1.147 20 30 CDEDLO COc1ccc(CO[NH+]=C(N)CCO)cc1Cl ZINC000186789071 357691166 /nfs/dbraw/zinc/69/11/66/357691166.db2.gz HWUHTQCECPBUBK-UHFFFAOYSA-N 1 2 258.705 1.520 20 30 CDEDLO N#CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000081622662 358135904 /nfs/dbraw/zinc/13/59/04/358135904.db2.gz ZKGIHQMDUFESSD-CQSZACIVSA-N 1 2 275.327 1.820 20 30 CDEDLO N#CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000081622662 358135908 /nfs/dbraw/zinc/13/59/08/358135908.db2.gz ZKGIHQMDUFESSD-CQSZACIVSA-N 1 2 275.327 1.820 20 30 CDEDLO CCn1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)cn1 ZINC000566597760 358157384 /nfs/dbraw/zinc/15/73/84/358157384.db2.gz GCSOWMIYEXHBNW-UHFFFAOYSA-N 1 2 296.378 1.492 20 30 CDEDLO CN(C)c1noc(C[NH2+]Cc2cccc(C#N)c2)n1 ZINC000191898158 358160503 /nfs/dbraw/zinc/16/05/03/358160503.db2.gz JLEWHUCAZCBODI-UHFFFAOYSA-N 1 2 257.297 1.297 20 30 CDEDLO C=CC[N@@H+](Cc1ccncc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000294733019 199156449 /nfs/dbraw/zinc/15/64/49/199156449.db2.gz GXAMVRFJSGDEPX-CQSZACIVSA-N 1 2 280.393 1.565 20 30 CDEDLO C=CC[N@H+](Cc1ccncc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000294733019 199156451 /nfs/dbraw/zinc/15/64/51/199156451.db2.gz GXAMVRFJSGDEPX-CQSZACIVSA-N 1 2 280.393 1.565 20 30 CDEDLO Cc1ccc2[nH+]c(CN3CCOC[C@@H]3C#N)cn2c1 ZINC000089130322 358391815 /nfs/dbraw/zinc/39/18/15/358391815.db2.gz RTMGSRVVWXXOPC-ZDUSSCGKSA-N 1 2 256.309 1.367 20 30 CDEDLO N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000563092202 358928187 /nfs/dbraw/zinc/92/81/87/358928187.db2.gz KGDLOJDCDYJKLN-VIFPVBQESA-N 1 2 278.268 1.260 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000037842075 359151558 /nfs/dbraw/zinc/15/15/58/359151558.db2.gz KJGLOGQPRNEQBQ-UHFFFAOYSA-N 1 2 267.332 1.559 20 30 CDEDLO C=CCOCCCC(=O)N(C)Cc1[nH+]ccn1C ZINC000266345239 359341833 /nfs/dbraw/zinc/34/18/33/359341833.db2.gz MNYTYHJSHQGZRP-UHFFFAOYSA-N 1 2 251.330 1.361 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000266900073 359344712 /nfs/dbraw/zinc/34/47/12/359344712.db2.gz GHHXZQGXRAGVTP-UHFFFAOYSA-N 1 2 263.341 1.866 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000266900073 359344720 /nfs/dbraw/zinc/34/47/20/359344720.db2.gz GHHXZQGXRAGVTP-UHFFFAOYSA-N 1 2 263.341 1.866 20 30 CDEDLO C#CC[N@H+](CC)CCOc1cccc(S(C)(=O)=O)c1 ZINC000267336417 359351058 /nfs/dbraw/zinc/35/10/58/359351058.db2.gz RQNCGZYJWNOJKO-UHFFFAOYSA-N 1 2 281.377 1.424 20 30 CDEDLO C#CC[N@@H+](CC)CCOc1cccc(S(C)(=O)=O)c1 ZINC000267336417 359351063 /nfs/dbraw/zinc/35/10/63/359351063.db2.gz RQNCGZYJWNOJKO-UHFFFAOYSA-N 1 2 281.377 1.424 20 30 CDEDLO C#CCN(C(=O)Nc1ccn2cc[nH+]c2c1)C1CC1 ZINC000297031572 200066897 /nfs/dbraw/zinc/06/68/97/200066897.db2.gz HRTLPQYGIXKDFG-UHFFFAOYSA-N 1 2 254.293 1.964 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2OC)C1=O ZINC000337219614 360034071 /nfs/dbraw/zinc/03/40/71/360034071.db2.gz JZQHVEBREHTAAB-OAHLLOKOSA-N 1 2 299.374 1.786 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(C#N)ccc2OC)C1=O ZINC000337219614 360034075 /nfs/dbraw/zinc/03/40/75/360034075.db2.gz JZQHVEBREHTAAB-OAHLLOKOSA-N 1 2 299.374 1.786 20 30 CDEDLO C=CCSCCNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000298217467 200362928 /nfs/dbraw/zinc/36/29/28/200362928.db2.gz JRLLILBUNMEXPR-SNVBAGLBSA-N 1 2 268.386 1.600 20 30 CDEDLO C=CCSCCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000298217467 200362930 /nfs/dbraw/zinc/36/29/30/200362930.db2.gz JRLLILBUNMEXPR-SNVBAGLBSA-N 1 2 268.386 1.600 20 30 CDEDLO Cn1nccc1C[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000348395928 360050630 /nfs/dbraw/zinc/05/06/30/360050630.db2.gz FEXQZWXZCIAXAH-UHFFFAOYSA-N 1 2 289.383 1.195 20 30 CDEDLO Cn1nccc1C[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000348395928 360050634 /nfs/dbraw/zinc/05/06/34/360050634.db2.gz FEXQZWXZCIAXAH-UHFFFAOYSA-N 1 2 289.383 1.195 20 30 CDEDLO Cc1ncc(C(=O)N[C@](C)(C#N)C[NH+](C)C)s1 ZINC000515947415 360548787 /nfs/dbraw/zinc/54/87/87/360548787.db2.gz SVPMIIUOQNMAOC-LLVKDONJSA-N 1 2 252.343 1.025 20 30 CDEDLO CC(C)S(=O)(=O)CC[N@H+](C)Cc1cccc(C#N)c1 ZINC000178205354 189097973 /nfs/dbraw/zinc/09/79/73/189097973.db2.gz YWUZLEWPIKFXFV-UHFFFAOYSA-N 1 2 280.393 1.813 20 30 CDEDLO CC(C)S(=O)(=O)CC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000178205354 189097974 /nfs/dbraw/zinc/09/79/74/189097974.db2.gz YWUZLEWPIKFXFV-UHFFFAOYSA-N 1 2 280.393 1.813 20 30 CDEDLO N#Cc1ccc(NCc2cc[nH+]c(N3CCOCC3)c2)cn1 ZINC000267391618 360715986 /nfs/dbraw/zinc/71/59/86/360715986.db2.gz NNCGJFFRSCDPCH-UHFFFAOYSA-N 1 2 295.346 1.797 20 30 CDEDLO N#CCN1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000129933947 360897099 /nfs/dbraw/zinc/89/70/99/360897099.db2.gz AOLJNYYLCKKUJW-UHFFFAOYSA-N 1 2 265.744 1.687 20 30 CDEDLO CC(C)OCC[C@H](O)C[N@H+](CCC#N)Cc1ccccn1 ZINC000349895494 360959170 /nfs/dbraw/zinc/95/91/70/360959170.db2.gz PTJNXSKEZLYORE-INIZCTEOSA-N 1 2 291.395 1.973 20 30 CDEDLO CC(C)OCC[C@H](O)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000349895494 360959174 /nfs/dbraw/zinc/95/91/74/360959174.db2.gz PTJNXSKEZLYORE-INIZCTEOSA-N 1 2 291.395 1.973 20 30 CDEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C[C@@H](C)O1 ZINC000247488104 361115677 /nfs/dbraw/zinc/11/56/77/361115677.db2.gz GNBSRWPZYYULAQ-JHJVBQTASA-N 1 2 267.373 1.246 20 30 CDEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)CCC#N)C[C@@H](C)O1 ZINC000247488104 361115680 /nfs/dbraw/zinc/11/56/80/361115680.db2.gz GNBSRWPZYYULAQ-JHJVBQTASA-N 1 2 267.373 1.246 20 30 CDEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC(C)(C)C#N ZINC000433303070 361229732 /nfs/dbraw/zinc/22/97/32/361229732.db2.gz KCZQKSNJZQDKFW-AWEZNQCLSA-N 1 2 262.357 1.276 20 30 CDEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC(C)(C)C#N ZINC000433303070 361229736 /nfs/dbraw/zinc/22/97/36/361229736.db2.gz KCZQKSNJZQDKFW-AWEZNQCLSA-N 1 2 262.357 1.276 20 30 CDEDLO C=CC1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000433962011 361281434 /nfs/dbraw/zinc/28/14/34/361281434.db2.gz LQGFILOVMBMOMW-UHFFFAOYSA-N 1 2 293.411 1.459 20 30 CDEDLO C[N@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCCCNC1=O ZINC000158478125 361253598 /nfs/dbraw/zinc/25/35/98/361253598.db2.gz QMOZKPLWNIAWLU-OAHLLOKOSA-N 1 2 274.339 1.778 20 30 CDEDLO C[N@@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCCCNC1=O ZINC000158478125 361253603 /nfs/dbraw/zinc/25/36/03/361253603.db2.gz QMOZKPLWNIAWLU-OAHLLOKOSA-N 1 2 274.339 1.778 20 30 CDEDLO N#Cc1cc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)ccn1 ZINC000367441790 361420801 /nfs/dbraw/zinc/42/08/01/361420801.db2.gz AFDHPATWFQQJRY-AWEZNQCLSA-N 1 2 283.335 1.626 20 30 CDEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)[C@@H]2CCN(C)C2=O)[C@@H]1C ZINC000329098713 361445836 /nfs/dbraw/zinc/44/58/36/361445836.db2.gz YWQLMZTULLYGBO-YIYPIFLZSA-N 1 2 295.427 1.930 20 30 CDEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)[C@@H]2CCN(C)C2=O)[C@@H]1C ZINC000329098713 361445842 /nfs/dbraw/zinc/44/58/42/361445842.db2.gz YWQLMZTULLYGBO-YIYPIFLZSA-N 1 2 295.427 1.930 20 30 CDEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccncc2F)CC1 ZINC000581766747 364021909 /nfs/dbraw/zinc/02/19/09/364021909.db2.gz UGZGZLSNJFUYTD-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)N3CCOC[C@@H]3C#N)cc2n1C ZINC000526999144 364046792 /nfs/dbraw/zinc/04/67/92/364046792.db2.gz UNHONLTYJLCUKY-LBPRGKRZSA-N 1 2 284.319 1.246 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1F ZINC000024370418 370753179 /nfs/dbraw/zinc/75/31/79/370753179.db2.gz FYYPXZPBPKLYTA-NSHDSACASA-N 1 2 293.342 1.658 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1F ZINC000024370418 370753185 /nfs/dbraw/zinc/75/31/85/370753185.db2.gz FYYPXZPBPKLYTA-NSHDSACASA-N 1 2 293.342 1.658 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]1C ZINC000639689251 364410212 /nfs/dbraw/zinc/41/02/12/364410212.db2.gz YJQBKUZCTLHMEB-MELADBBJSA-N 1 2 295.427 1.351 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]1C ZINC000639689251 364410215 /nfs/dbraw/zinc/41/02/15/364410215.db2.gz YJQBKUZCTLHMEB-MELADBBJSA-N 1 2 295.427 1.351 20 30 CDEDLO C=C[C@@H]1CCCCN1c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000580148174 364717063 /nfs/dbraw/zinc/71/70/63/364717063.db2.gz MBSSGALMCZSBSK-KGLIPLIRSA-N 1 2 288.395 1.983 20 30 CDEDLO C=C[C@@H]1CCCCN1c1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000580148174 364717065 /nfs/dbraw/zinc/71/70/65/364717065.db2.gz MBSSGALMCZSBSK-KGLIPLIRSA-N 1 2 288.395 1.983 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cccc(F)c2F)nn1 ZINC000640891413 364723451 /nfs/dbraw/zinc/72/34/51/364723451.db2.gz NJEUERMSYZZYKC-UHFFFAOYSA-N 1 2 276.290 1.718 20 30 CDEDLO C=CCNC(=O)C[N@H+]1C[C@@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000472354230 365069997 /nfs/dbraw/zinc/06/99/97/365069997.db2.gz SVFFBBUZYJDETN-UONOGXRCSA-N 1 2 281.400 1.010 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000472354230 365070000 /nfs/dbraw/zinc/07/00/00/365070000.db2.gz SVFFBBUZYJDETN-UONOGXRCSA-N 1 2 281.400 1.010 20 30 CDEDLO CC1(C)CCC[N@H+](C[C@@H]2CNc3c(C#N)cnn3C2)[C@@H]1C#N ZINC000566678530 370790052 /nfs/dbraw/zinc/79/00/52/370790052.db2.gz GEDQLHCTCDHAJR-GXTWGEPZSA-N 1 2 298.394 1.811 20 30 CDEDLO CC1(C)CCC[N@@H+](C[C@@H]2CNc3c(C#N)cnn3C2)[C@@H]1C#N ZINC000566678530 370790056 /nfs/dbraw/zinc/79/00/56/370790056.db2.gz GEDQLHCTCDHAJR-GXTWGEPZSA-N 1 2 298.394 1.811 20 30 CDEDLO C[C@H]1CCC[C@@H](CO)[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000270525134 366895274 /nfs/dbraw/zinc/89/52/74/366895274.db2.gz UKXCYRRJOKASCN-JQWIXIFHSA-N 1 2 293.392 1.794 20 30 CDEDLO C[C@H]1CCC[C@@H](CO)[N@H+]1CC(=O)Nc1sccc1C#N ZINC000270525134 366895277 /nfs/dbraw/zinc/89/52/77/366895277.db2.gz UKXCYRRJOKASCN-JQWIXIFHSA-N 1 2 293.392 1.794 20 30 CDEDLO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(C#N)s1 ZINC000572513140 366977005 /nfs/dbraw/zinc/97/70/05/366977005.db2.gz DRKKKUHDAUCNQJ-JTQLQIEISA-N 1 2 263.366 1.786 20 30 CDEDLO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C#N)s1 ZINC000572513140 366977011 /nfs/dbraw/zinc/97/70/11/366977011.db2.gz DRKKKUHDAUCNQJ-JTQLQIEISA-N 1 2 263.366 1.786 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc2c(c1)NC(=O)CO2 ZINC000507567715 367012462 /nfs/dbraw/zinc/01/24/62/367012462.db2.gz RHXVSRAMTNBHSY-JTQLQIEISA-N 1 2 259.309 1.609 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc2c(c1)NC(=O)CO2 ZINC000507567715 367012463 /nfs/dbraw/zinc/01/24/63/367012463.db2.gz RHXVSRAMTNBHSY-JTQLQIEISA-N 1 2 259.309 1.609 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccoc1Cl ZINC000567171128 370894483 /nfs/dbraw/zinc/89/44/83/370894483.db2.gz WTVPUISXCXYTRF-NSHDSACASA-N 1 2 255.705 1.507 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000375685666 370908610 /nfs/dbraw/zinc/90/86/10/370908610.db2.gz SZSGKUFFGXDJCL-OCCSQVGLSA-N 1 2 260.341 1.986 20 30 CDEDLO CC[C@H](CC#N)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000545156843 369149075 /nfs/dbraw/zinc/14/90/75/369149075.db2.gz JQQWAMYVIKZXBM-SNVBAGLBSA-N 1 2 270.296 1.084 20 30 CDEDLO COc1ccccc1[C@H](NC(=O)CC#N)c1[nH+]ccn1C ZINC000369014911 369665482 /nfs/dbraw/zinc/66/54/82/369665482.db2.gz CLKQYBQUVLLBLZ-AWEZNQCLSA-N 1 2 284.319 1.548 20 30 CDEDLO CCc1ccc(C#CC(=O)NCCn2cc[nH+]c2)cc1 ZINC000292806658 370397973 /nfs/dbraw/zinc/39/79/73/370397973.db2.gz NWNIAWFOQJXLDS-UHFFFAOYSA-N 1 2 267.332 1.613 20 30 CDEDLO COc1cccc(NC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000568502612 371226527 /nfs/dbraw/zinc/22/65/27/371226527.db2.gz WXMITYWQSHAPCP-CYBMUJFWSA-N 1 2 263.341 1.313 20 30 CDEDLO COc1cccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000568502612 371226533 /nfs/dbraw/zinc/22/65/33/371226533.db2.gz WXMITYWQSHAPCP-CYBMUJFWSA-N 1 2 263.341 1.313 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000331823350 204205614 /nfs/dbraw/zinc/20/56/14/204205614.db2.gz WETAVUUXIRYBSR-YGRLFVJLSA-N 1 2 299.334 1.270 20 30 CDEDLO C#CC[N@@H+](Cc1cccc(S(C)(=O)=O)c1)C1CC1 ZINC000295499480 371310322 /nfs/dbraw/zinc/31/03/22/371310322.db2.gz TXMALJDAUJUFPN-UHFFFAOYSA-N 1 2 263.362 1.688 20 30 CDEDLO C#CC[N@H+](Cc1cccc(S(C)(=O)=O)c1)C1CC1 ZINC000295499480 371310328 /nfs/dbraw/zinc/31/03/28/371310328.db2.gz TXMALJDAUJUFPN-UHFFFAOYSA-N 1 2 263.362 1.688 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1sccc1C#N ZINC000573383887 371525905 /nfs/dbraw/zinc/52/59/05/371525905.db2.gz JKOWPUYURKMQOZ-JTQLQIEISA-N 1 2 262.338 1.840 20 30 CDEDLO N#C[C@@H]1[N@H+](C[C@@H]2CCCNC2=O)CCC[C@]12CCCCO2 ZINC000573928257 371687855 /nfs/dbraw/zinc/68/78/55/371687855.db2.gz OIGMOOYUSJOKHF-OFQRWUPVSA-N 1 2 291.395 1.440 20 30 CDEDLO N#C[C@@H]1[N@@H+](C[C@@H]2CCCNC2=O)CCC[C@]12CCCCO2 ZINC000573928257 371687867 /nfs/dbraw/zinc/68/78/67/371687867.db2.gz OIGMOOYUSJOKHF-OFQRWUPVSA-N 1 2 291.395 1.440 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc(C#N)s2)CCO1 ZINC000347586890 372090692 /nfs/dbraw/zinc/09/06/92/372090692.db2.gz NGPVLAZRIMRYNC-LLVKDONJSA-N 1 2 293.392 1.460 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)s2)CCO1 ZINC000347586890 372090699 /nfs/dbraw/zinc/09/06/99/372090699.db2.gz NGPVLAZRIMRYNC-LLVKDONJSA-N 1 2 293.392 1.460 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N(C)Cc1ccccc1C ZINC000298826019 372308883 /nfs/dbraw/zinc/30/88/83/372308883.db2.gz BLAISVIWBOPTSW-MRXNPFEDSA-N 1 2 282.387 1.910 20 30 CDEDLO CC1(C)C[C@]1(C#N)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000578945768 372548951 /nfs/dbraw/zinc/54/89/51/372548951.db2.gz TZMATNYDSYBYOL-CQSZACIVSA-N 1 2 282.307 1.084 20 30 CDEDLO C[C@H](Oc1ccc(F)cc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000579184879 372554682 /nfs/dbraw/zinc/55/46/82/372554682.db2.gz JWRUOHVWPIKOBU-XHDPSFHLSA-N 1 2 293.342 1.553 20 30 CDEDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cnn(C)c1 ZINC000348306275 373101177 /nfs/dbraw/zinc/10/11/77/373101177.db2.gz DAFLOSQITYJDBW-HZMBPMFUSA-N 1 2 283.335 1.169 20 30 CDEDLO CC[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)C[C@H](C)[S@@]1=O ZINC000348543161 373286537 /nfs/dbraw/zinc/28/65/37/373286537.db2.gz FYTVBHQNIZJISW-SZEPBZDZSA-N 1 2 279.409 1.628 20 30 CDEDLO CC[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)C[C@H](C)[S@@]1=O ZINC000348543161 373286548 /nfs/dbraw/zinc/28/65/48/373286548.db2.gz FYTVBHQNIZJISW-SZEPBZDZSA-N 1 2 279.409 1.628 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)C[C@H](C)O1 ZINC000248880754 374006926 /nfs/dbraw/zinc/00/69/26/374006926.db2.gz PEPDONWDGIDRID-FZMZJTMJSA-N 1 2 263.341 1.132 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)C[C@H](C)O1 ZINC000248880754 374006934 /nfs/dbraw/zinc/00/69/34/374006934.db2.gz PEPDONWDGIDRID-FZMZJTMJSA-N 1 2 263.341 1.132 20 30 CDEDLO C=CCN1CC(=O)N(Cc2ccccc2-n2cc[nH+]c2)C1=O ZINC000366770811 374123717 /nfs/dbraw/zinc/12/37/17/374123717.db2.gz GICQCIXCZDAXQL-UHFFFAOYSA-N 1 2 296.330 1.823 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000425530121 374441783 /nfs/dbraw/zinc/44/17/83/374441783.db2.gz DSAYBIYFCKIJEZ-JTQLQIEISA-N 1 2 271.324 1.173 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000425530121 374441787 /nfs/dbraw/zinc/44/17/87/374441787.db2.gz DSAYBIYFCKIJEZ-JTQLQIEISA-N 1 2 271.324 1.173 20 30 CDEDLO N#Cc1csc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC000329590255 374803324 /nfs/dbraw/zinc/80/33/24/374803324.db2.gz SZFAMNJSWJJJPZ-SNVBAGLBSA-N 1 2 276.321 1.196 20 30 CDEDLO N#Cc1csc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC000329590255 374803334 /nfs/dbraw/zinc/80/33/34/374803334.db2.gz SZFAMNJSWJJJPZ-SNVBAGLBSA-N 1 2 276.321 1.196 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1ccc(C#N)cc1F ZINC000279682305 374948588 /nfs/dbraw/zinc/94/85/88/374948588.db2.gz GRRSVHLSQUGWTQ-ZDUSSCGKSA-N 1 2 291.370 1.850 20 30 CDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@]2(CCOC2)O1 ZINC000280111415 374981499 /nfs/dbraw/zinc/98/14/99/374981499.db2.gz AZWDJUKOTKMRMT-FZMZJTMJSA-N 1 2 278.377 2.000 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@]2(CCOC2)O1 ZINC000280111415 374981504 /nfs/dbraw/zinc/98/15/04/374981504.db2.gz AZWDJUKOTKMRMT-FZMZJTMJSA-N 1 2 278.377 2.000 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000280666776 375010849 /nfs/dbraw/zinc/01/08/49/375010849.db2.gz PLVDAPBALGICEI-WDEREUQCSA-N 1 2 291.351 1.299 20 30 CDEDLO CC[N@H+](CCNS(=O)(=O)c1ccccc1)C[C@H](C)C#N ZINC000049000650 375390654 /nfs/dbraw/zinc/39/06/54/375390654.db2.gz ZBXAZQASKNBYPO-CYBMUJFWSA-N 1 2 295.408 1.446 20 30 CDEDLO CC[N@@H+](CCNS(=O)(=O)c1ccccc1)C[C@H](C)C#N ZINC000049000650 375390656 /nfs/dbraw/zinc/39/06/56/375390656.db2.gz ZBXAZQASKNBYPO-CYBMUJFWSA-N 1 2 295.408 1.446 20 30 CDEDLO CC1(C)SC[C@H]1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000328732858 375956268 /nfs/dbraw/zinc/95/62/68/375956268.db2.gz HJVBIQIUMDTELV-LLVKDONJSA-N 1 2 299.440 1.249 20 30 CDEDLO C=CCCOCCNC(=O)NCCCNc1cccc[nH+]1 ZINC000124460244 375961911 /nfs/dbraw/zinc/96/19/11/375961911.db2.gz TWEFPWCIFHJOON-UHFFFAOYSA-N 1 2 292.383 1.776 20 30 CDEDLO N#C[C@@H]1CC[C@H]([NH+]2CCC(c3n[nH]c(=O)[nH]3)CC2)C1 ZINC000328801948 375975978 /nfs/dbraw/zinc/97/59/78/375975978.db2.gz ZNHXSFURJIXBBH-KOLCDFICSA-N 1 2 261.329 1.382 20 30 CDEDLO CC[N@H+](CC(=O)OC)Cc1ccc(F)c(C#N)c1 ZINC000229749843 375946616 /nfs/dbraw/zinc/94/66/16/375946616.db2.gz SNLZPMOMBXMPCD-UHFFFAOYSA-N 1 2 250.273 1.692 20 30 CDEDLO CC[N@@H+](CC(=O)OC)Cc1ccc(F)c(C#N)c1 ZINC000229749843 375946620 /nfs/dbraw/zinc/94/66/20/375946620.db2.gz SNLZPMOMBXMPCD-UHFFFAOYSA-N 1 2 250.273 1.692 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]1C(=O)OC ZINC000050049835 376053849 /nfs/dbraw/zinc/05/38/49/376053849.db2.gz BCKWTROQAAGLHA-GFCCVEGCSA-N 1 2 268.357 1.048 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1C(=O)OC ZINC000050049835 376053854 /nfs/dbraw/zinc/05/38/54/376053854.db2.gz BCKWTROQAAGLHA-GFCCVEGCSA-N 1 2 268.357 1.048 20 30 CDEDLO Cc1onc(CC(=O)NCc2ccn3cc[nH+]c3c2)c1C#N ZINC000354594621 376837804 /nfs/dbraw/zinc/83/78/04/376837804.db2.gz KYJPNCKDNXKJDG-UHFFFAOYSA-N 1 2 295.302 1.361 20 30 CDEDLO CC[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)C[C@@H](C)C#N ZINC000250639733 377109234 /nfs/dbraw/zinc/10/92/34/377109234.db2.gz SJWUSUWHKHQBNB-RRFJBIMHSA-N 1 2 293.411 1.638 20 30 CDEDLO CC[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)C[C@@H](C)C#N ZINC000250639733 377109240 /nfs/dbraw/zinc/10/92/40/377109240.db2.gz SJWUSUWHKHQBNB-RRFJBIMHSA-N 1 2 293.411 1.638 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000249383750 377429533 /nfs/dbraw/zinc/42/95/33/377429533.db2.gz WNMXVGGTMWEVLQ-QWHCGFSZSA-N 1 2 289.383 1.350 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000249383750 377429540 /nfs/dbraw/zinc/42/95/40/377429540.db2.gz WNMXVGGTMWEVLQ-QWHCGFSZSA-N 1 2 289.383 1.350 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000249882979 377482950 /nfs/dbraw/zinc/48/29/50/377482950.db2.gz NYJGWPLTUGCJHQ-UPJWGTAASA-N 1 2 267.373 1.152 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000249882979 377482955 /nfs/dbraw/zinc/48/29/55/377482955.db2.gz NYJGWPLTUGCJHQ-UPJWGTAASA-N 1 2 267.373 1.152 20 30 CDEDLO C=CCCS(=O)(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000130709158 377611518 /nfs/dbraw/zinc/61/15/18/377611518.db2.gz IKVSSYMFJYJSAR-UHFFFAOYSA-N 1 2 297.424 1.923 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000190132495 377751351 /nfs/dbraw/zinc/75/13/51/377751351.db2.gz TWSWXKSZWUAXAF-SMDDNHRTSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000190132495 377751357 /nfs/dbraw/zinc/75/13/57/377751357.db2.gz TWSWXKSZWUAXAF-SMDDNHRTSA-N 1 2 276.336 1.148 20 30 CDEDLO C[C@@H]1C[NH+](C[C@H]2CCCN2CCCC#N)C[C@@H](C)O1 ZINC000253357451 377811101 /nfs/dbraw/zinc/81/11/01/377811101.db2.gz AIQDZHLTSYHCKX-RBSFLKMASA-N 1 2 265.401 1.864 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000280514933 377956387 /nfs/dbraw/zinc/95/63/87/377956387.db2.gz FCMGALMGONMAPU-LLVKDONJSA-N 1 2 269.370 1.495 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633206639 378207736 /nfs/dbraw/zinc/20/77/36/378207736.db2.gz AXRIGISRRAVRMW-DGCLKSJQSA-N 1 2 278.356 1.532 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000192226312 378179010 /nfs/dbraw/zinc/17/90/10/378179010.db2.gz JOFLIUOGFIBNGN-UHFFFAOYSA-N 1 2 286.379 1.575 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000192226312 378179014 /nfs/dbraw/zinc/17/90/14/378179014.db2.gz JOFLIUOGFIBNGN-UHFFFAOYSA-N 1 2 286.379 1.575 20 30 CDEDLO C#C[C@H](NC(=O)NCCCn1cc[nH+]c1)C(C)(C)C ZINC000290706178 378404148 /nfs/dbraw/zinc/40/41/48/378404148.db2.gz SQPKTDFWOBPPJR-LBPRGKRZSA-N 1 2 262.357 1.620 20 30 CDEDLO C=CCCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000293096831 378538161 /nfs/dbraw/zinc/53/81/61/378538161.db2.gz UBOHYGZVMKWIMH-UHFFFAOYSA-N 1 2 295.408 1.500 20 30 CDEDLO C=CCOCC[NH+]1CCN(c2nc(C)ns2)CC1 ZINC000293715804 378585123 /nfs/dbraw/zinc/58/51/23/378585123.db2.gz FDLCZENELKCNMS-UHFFFAOYSA-N 1 2 268.386 1.171 20 30 CDEDLO C#CCOc1ccccc1C[NH2+]Cc1nn(CC)nc1C ZINC000295911094 378701647 /nfs/dbraw/zinc/70/16/47/378701647.db2.gz ZNWZIAFHPOAHEY-UHFFFAOYSA-N 1 2 284.363 1.908 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000281059454 195088862 /nfs/dbraw/zinc/08/88/62/195088862.db2.gz RKORXOYVZGOOJI-NWDGAFQWSA-N 1 2 250.346 1.926 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cccc(F)c2F)CC1 ZINC000263784878 533052147 /nfs/dbraw/zinc/05/21/47/533052147.db2.gz HIMQAAKTWQXLOT-UHFFFAOYSA-N 1 2 278.302 1.746 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000192219606 533113222 /nfs/dbraw/zinc/11/32/22/533113222.db2.gz PCNZZWPJTSDFES-CYBMUJFWSA-N 1 2 299.374 1.705 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000192219606 533113226 /nfs/dbraw/zinc/11/32/26/533113226.db2.gz PCNZZWPJTSDFES-CYBMUJFWSA-N 1 2 299.374 1.705 20 30 CDEDLO C#C[C@H](NC(=O)NCc1ccc(N(C)C)[nH+]c1)C(C)(C)C ZINC000288412835 197071571 /nfs/dbraw/zinc/07/15/71/197071571.db2.gz CDMKGWBQINPBIW-ZDUSSCGKSA-N 1 2 288.395 1.995 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000288231521 197032700 /nfs/dbraw/zinc/03/27/00/197032700.db2.gz RPTFYTCSSQOFSF-SMDDNHRTSA-N 1 2 263.341 1.440 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(OC)nc2)C1=O ZINC000281255578 195170227 /nfs/dbraw/zinc/17/02/27/195170227.db2.gz MWKYZMFFMRLBPY-ZDUSSCGKSA-N 1 2 275.352 1.309 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(OC)nc2)C1=O ZINC000281255578 195170228 /nfs/dbraw/zinc/17/02/28/195170228.db2.gz MWKYZMFFMRLBPY-ZDUSSCGKSA-N 1 2 275.352 1.309 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2sccc2OC)C1=O ZINC000281344910 195204168 /nfs/dbraw/zinc/20/41/68/195204168.db2.gz SZZPNZAUGILTHC-NSHDSACASA-N 1 2 280.393 1.975 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2sccc2OC)C1=O ZINC000281344910 195204169 /nfs/dbraw/zinc/20/41/69/195204169.db2.gz SZZPNZAUGILTHC-NSHDSACASA-N 1 2 280.393 1.975 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2c(C)noc2C)C1=O ZINC000281424327 195235596 /nfs/dbraw/zinc/23/55/96/195235596.db2.gz ZAZQWSFYBMZDHK-CYBMUJFWSA-N 1 2 263.341 1.510 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2c(C)noc2C)C1=O ZINC000281424327 195235597 /nfs/dbraw/zinc/23/55/97/195235597.db2.gz ZAZQWSFYBMZDHK-CYBMUJFWSA-N 1 2 263.341 1.510 20 30 CDEDLO C[C@H]1SCC[N@H+](CC(=O)NCC#N)[C@@H]1c1ccccc1 ZINC000118422560 390629673 /nfs/dbraw/zinc/62/96/73/390629673.db2.gz JDAWOLKMGYVJOD-DOMZBBRYSA-N 1 2 289.404 1.805 20 30 CDEDLO C[C@H]1SCC[N@@H+](CC(=O)NCC#N)[C@@H]1c1ccccc1 ZINC000118422560 390629676 /nfs/dbraw/zinc/62/96/76/390629676.db2.gz JDAWOLKMGYVJOD-DOMZBBRYSA-N 1 2 289.404 1.805 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](CO)[C@@H]2C)c(C#N)c1C ZINC000395190664 390823954 /nfs/dbraw/zinc/82/39/54/390823954.db2.gz IFHFYPLOJLHCBE-CMPLNLGQSA-N 1 2 291.351 1.409 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](CO)[C@@H]2C)c(C#N)c1C ZINC000395190664 390823956 /nfs/dbraw/zinc/82/39/56/390823956.db2.gz IFHFYPLOJLHCBE-CMPLNLGQSA-N 1 2 291.351 1.409 20 30 CDEDLO Cc1ccc([C@H](C)NC(=O)CO[NH+]=C(N)CCO)cc1C ZINC000136071888 390941009 /nfs/dbraw/zinc/94/10/09/390941009.db2.gz BETGGWNYFGXFGU-LBPRGKRZSA-N 1 2 293.367 1.152 20 30 CDEDLO N#CC1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCCCC1 ZINC000363544474 390942995 /nfs/dbraw/zinc/94/29/95/390942995.db2.gz JVTFZYVPLOSNDH-CQSZACIVSA-N 1 2 291.395 1.394 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000093226716 390901077 /nfs/dbraw/zinc/90/10/77/390901077.db2.gz GJAJFOQSYOLSML-CYBMUJFWSA-N 1 2 274.368 1.837 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000093226716 390901078 /nfs/dbraw/zinc/90/10/78/390901078.db2.gz GJAJFOQSYOLSML-CYBMUJFWSA-N 1 2 274.368 1.837 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000329555508 391013702 /nfs/dbraw/zinc/01/37/02/391013702.db2.gz BMEQPKHTVQVYRS-MBNYWOFBSA-N 1 2 268.357 1.090 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000329555508 391013706 /nfs/dbraw/zinc/01/37/06/391013706.db2.gz BMEQPKHTVQVYRS-MBNYWOFBSA-N 1 2 268.357 1.090 20 30 CDEDLO C[C@@H]1CN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C[C@H](C)O1 ZINC000329450311 390990405 /nfs/dbraw/zinc/99/04/05/390990405.db2.gz LMIPUEFNCGVABS-FRRDWIJNSA-N 1 2 292.383 1.784 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000265173338 391152076 /nfs/dbraw/zinc/15/20/76/391152076.db2.gz FIDBPVHHQOECQH-AWEZNQCLSA-N 1 2 274.320 1.726 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000265173338 391152078 /nfs/dbraw/zinc/15/20/78/391152078.db2.gz FIDBPVHHQOECQH-AWEZNQCLSA-N 1 2 274.320 1.726 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)CCn1cnc2ccccc2c1=O ZINC000265288922 391153245 /nfs/dbraw/zinc/15/32/45/391153245.db2.gz CPBIZVHTKDXLGV-GFCCVEGCSA-N 1 2 270.336 1.488 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)CCn1cnc2ccccc2c1=O ZINC000265288922 391153248 /nfs/dbraw/zinc/15/32/48/391153248.db2.gz CPBIZVHTKDXLGV-GFCCVEGCSA-N 1 2 270.336 1.488 20 30 CDEDLO Cc1nnc([C@@H](C)O[NH+]=C(N)[C@H](C)OCC(C)C)o1 ZINC000266209873 391171687 /nfs/dbraw/zinc/17/16/87/391171687.db2.gz OASUTJCWGODJHV-DTWKUNHWSA-N 1 2 270.333 1.789 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)CC(=C)CC)n1 ZINC000491663368 391191436 /nfs/dbraw/zinc/19/14/36/391191436.db2.gz DKPXJPFLVWTUQJ-UHFFFAOYSA-N 1 2 261.369 1.931 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)CC(=C)CC)n1 ZINC000491663368 391191437 /nfs/dbraw/zinc/19/14/37/391191437.db2.gz DKPXJPFLVWTUQJ-UHFFFAOYSA-N 1 2 261.369 1.931 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(F)cc1 ZINC000267648193 391201556 /nfs/dbraw/zinc/20/15/56/391201556.db2.gz XCMHVKUTENSIMV-LBPRGKRZSA-N 1 2 252.289 1.411 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(F)cc1 ZINC000267648193 391201560 /nfs/dbraw/zinc/20/15/60/391201560.db2.gz XCMHVKUTENSIMV-LBPRGKRZSA-N 1 2 252.289 1.411 20 30 CDEDLO CC(C)Cn1cc(C[NH+]2CCN(CC#N)CC2)cn1 ZINC000183247152 391258359 /nfs/dbraw/zinc/25/83/59/391258359.db2.gz MRBVISDXZHBMHZ-UHFFFAOYSA-N 1 2 261.373 1.180 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1)OCC ZINC000339367680 391292611 /nfs/dbraw/zinc/29/26/11/391292611.db2.gz HYDKAEQYFCTSDI-HUUCEWRRSA-N 1 2 297.443 1.110 20 30 CDEDLO CC[C@H]1COCCN1C([O-])=[NH+]CCCn1cc[nH+]c1C ZINC000330419152 391420047 /nfs/dbraw/zinc/42/00/47/391420047.db2.gz CIEREDAWOXAQCV-ZDUSSCGKSA-N 1 2 280.372 1.606 20 30 CDEDLO N#Cc1cncnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000573916456 391611506 /nfs/dbraw/zinc/61/15/06/391611506.db2.gz ROILLIZUCRYDTO-UHFFFAOYSA-N 1 2 285.376 1.732 20 30 CDEDLO C#CCn1ccc(CN(CC)CC[N@@H+]2CCO[C@H](C)C2)n1 ZINC000281892197 391665441 /nfs/dbraw/zinc/66/54/41/391665441.db2.gz BANSDDGQGQZDGS-OAHLLOKOSA-N 1 2 290.411 1.059 20 30 CDEDLO C#CCn1ccc(CN(CC)CC[N@H+]2CCO[C@H](C)C2)n1 ZINC000281892197 391665445 /nfs/dbraw/zinc/66/54/45/391665445.db2.gz BANSDDGQGQZDGS-OAHLLOKOSA-N 1 2 290.411 1.059 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)CCN2CCO[C@H](C)C2)n1 ZINC000281892197 391665447 /nfs/dbraw/zinc/66/54/47/391665447.db2.gz BANSDDGQGQZDGS-OAHLLOKOSA-N 1 2 290.411 1.059 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)CCN2CCO[C@H](C)C2)n1 ZINC000281892197 391665452 /nfs/dbraw/zinc/66/54/52/391665452.db2.gz BANSDDGQGQZDGS-OAHLLOKOSA-N 1 2 290.411 1.059 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C1CCCCC1 ZINC000060633694 391689032 /nfs/dbraw/zinc/68/90/32/391689032.db2.gz BSTFUYDAMSGWNC-UHFFFAOYSA-N 1 2 293.411 1.641 20 30 CDEDLO C=CC[N@@H+](CCOCCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000361983497 391706072 /nfs/dbraw/zinc/70/60/72/391706072.db2.gz NZVRGZYIBXMZCX-CYBMUJFWSA-N 1 2 275.414 1.478 20 30 CDEDLO C=CC[N@H+](CCOCCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000361983497 391706074 /nfs/dbraw/zinc/70/60/74/391706074.db2.gz NZVRGZYIBXMZCX-CYBMUJFWSA-N 1 2 275.414 1.478 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H]2CO)c(C#N)c1C ZINC000189738872 130018435 /nfs/dbraw/zinc/01/84/35/130018435.db2.gz XQXXUBVFSXMHDP-RNCFNFMXSA-N 1 2 291.351 1.409 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c(C#N)c1C ZINC000189738872 130018436 /nfs/dbraw/zinc/01/84/36/130018436.db2.gz XQXXUBVFSXMHDP-RNCFNFMXSA-N 1 2 291.351 1.409 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000329839112 391787746 /nfs/dbraw/zinc/78/77/46/391787746.db2.gz VZMSLFSSNOFFQU-CHWSQXEVSA-N 1 2 292.383 1.724 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)[C@@H]1CCCOCC1)[NH+]1CCOCC1 ZINC000329878677 391793328 /nfs/dbraw/zinc/79/33/28/391793328.db2.gz LDXXRXYHFBEHPM-BFHYXJOUSA-N 1 2 284.400 1.869 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCS[C@H](C)C1 ZINC000171699247 391935121 /nfs/dbraw/zinc/93/51/21/391935121.db2.gz DIYFXDBSUPVMQG-YPMHNXCESA-N 1 2 269.414 1.478 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCS[C@H](C)C1 ZINC000171699247 391935124 /nfs/dbraw/zinc/93/51/24/391935124.db2.gz DIYFXDBSUPVMQG-YPMHNXCESA-N 1 2 269.414 1.478 20 30 CDEDLO COc1ccc(C#N)cc1C[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000494812901 391901024 /nfs/dbraw/zinc/90/10/24/391901024.db2.gz VFGCSDNWRBIYHQ-AWEZNQCLSA-N 1 2 286.335 1.124 20 30 CDEDLO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2CC#Cc1ccccc1Cl ZINC000334964276 391987967 /nfs/dbraw/zinc/98/79/67/391987967.db2.gz DHRYHPTXYZGQAC-UKRRQHHQSA-N 1 2 288.778 1.902 20 30 CDEDLO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2CC#Cc1ccccc1Cl ZINC000334964276 391987976 /nfs/dbraw/zinc/98/79/76/391987976.db2.gz DHRYHPTXYZGQAC-UKRRQHHQSA-N 1 2 288.778 1.902 20 30 CDEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C1(C#N)CCC1 ZINC000334231769 392043263 /nfs/dbraw/zinc/04/32/63/392043263.db2.gz LWIQZSHSTCVETA-UHFFFAOYSA-N 1 2 272.352 1.872 20 30 CDEDLO C#CC[NH+]1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000269958065 392123436 /nfs/dbraw/zinc/12/34/36/392123436.db2.gz UIPYPDFGIIWTBT-UHFFFAOYSA-N 1 2 259.309 1.658 20 30 CDEDLO CN(CC[NH+]1CCOCC1)c1nc2c(cc1C#N)CCC2 ZINC000264135177 131399019 /nfs/dbraw/zinc/39/90/19/131399019.db2.gz SUQUUANSXCAWNO-UHFFFAOYSA-N 1 2 286.379 1.210 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000412089589 392819383 /nfs/dbraw/zinc/81/93/83/392819383.db2.gz BRSMSIDWTGPHPU-GXTWGEPZSA-N 1 2 280.755 1.387 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000412089589 392819389 /nfs/dbraw/zinc/81/93/89/392819389.db2.gz BRSMSIDWTGPHPU-GXTWGEPZSA-N 1 2 280.755 1.387 20 30 CDEDLO Cc1cc(NCCCOC2CCOCC2)c(C#N)c[nH+]1 ZINC000425222863 392995944 /nfs/dbraw/zinc/99/59/44/392995944.db2.gz BHRWZYIULRPGJQ-UHFFFAOYSA-N 1 2 275.352 1.681 20 30 CDEDLO Cc1ccc(C#N)c(NCC[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000534300172 393096891 /nfs/dbraw/zinc/09/68/91/393096891.db2.gz PDRDGXPVPKLLKQ-LBPRGKRZSA-N 1 2 260.341 1.394 20 30 CDEDLO Cc1ccc(C#N)c(NCC[N@H+]2CCO[C@@H](C)C2)n1 ZINC000534300172 393096897 /nfs/dbraw/zinc/09/68/97/393096897.db2.gz PDRDGXPVPKLLKQ-LBPRGKRZSA-N 1 2 260.341 1.394 20 30 CDEDLO C=CCCOCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649215495 393051675 /nfs/dbraw/zinc/05/16/75/393051675.db2.gz ZWNLTJPMUZYWSU-LBPRGKRZSA-N 1 2 263.341 1.154 20 30 CDEDLO N#Cc1cccc(C2(C(=O)N3CCn4cc[nH+]c4C3)CC2)c1 ZINC000532943603 393078187 /nfs/dbraw/zinc/07/81/87/393078187.db2.gz FJCFYWNDCPVAFK-UHFFFAOYSA-N 1 2 292.342 1.829 20 30 CDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccn1C ZINC000091936896 135074444 /nfs/dbraw/zinc/07/44/44/135074444.db2.gz BULOGQMBPDKNGL-CYBMUJFWSA-N 1 2 296.378 1.397 20 30 CDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccn1C ZINC000091936896 135074445 /nfs/dbraw/zinc/07/44/45/135074445.db2.gz BULOGQMBPDKNGL-CYBMUJFWSA-N 1 2 296.378 1.397 20 30 CDEDLO C[C@H](O)C(=O)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186354566 140059269 /nfs/dbraw/zinc/05/92/69/140059269.db2.gz UIIZZCUQEVFGGG-STQMWFEESA-N 1 2 287.363 1.144 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCCC[C@@H]2C(N)=O)c1F ZINC000223518887 140171805 /nfs/dbraw/zinc/17/18/05/140171805.db2.gz VTGQJDZZBPRKPO-GFCCVEGCSA-N 1 2 261.300 1.537 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)c1F ZINC000223518887 140171807 /nfs/dbraw/zinc/17/18/07/140171807.db2.gz VTGQJDZZBPRKPO-GFCCVEGCSA-N 1 2 261.300 1.537 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@](F)(CO)C2)c1 ZINC000334164989 149322942 /nfs/dbraw/zinc/32/29/42/149322942.db2.gz ACKHPZYIHJBFFU-CYBMUJFWSA-N 1 2 252.264 1.604 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@](F)(CO)C2)c1 ZINC000334164989 149322946 /nfs/dbraw/zinc/32/29/46/149322946.db2.gz ACKHPZYIHJBFFU-CYBMUJFWSA-N 1 2 252.264 1.604 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1 ZINC000352672245 155349333 /nfs/dbraw/zinc/34/93/33/155349333.db2.gz SBYBLIFQJSSOSZ-HOTGVXAUSA-N 1 2 272.348 1.938 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1 ZINC000352672245 155349335 /nfs/dbraw/zinc/34/93/35/155349335.db2.gz SBYBLIFQJSSOSZ-HOTGVXAUSA-N 1 2 272.348 1.938 20 30 CDEDLO C=C(CC)Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000656452835 413308589 /nfs/dbraw/zinc/30/85/89/413308589.db2.gz ASTAKEZUSNTWMJ-UHFFFAOYSA-N 1 2 250.346 1.119 20 30 CDEDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2ncccc2C#N)C1 ZINC000353877657 156139299 /nfs/dbraw/zinc/13/92/99/156139299.db2.gz VXNVVJIBRXMDMS-GFCCVEGCSA-N 1 2 288.351 1.250 20 30 CDEDLO COC(=O)C[N@H+]1CCC[C@H](CNc2ncccc2C#N)C1 ZINC000353877657 156139303 /nfs/dbraw/zinc/13/93/03/156139303.db2.gz VXNVVJIBRXMDMS-GFCCVEGCSA-N 1 2 288.351 1.250 20 30 CDEDLO CCOCC[C@@H](O)C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000366780532 159389925 /nfs/dbraw/zinc/38/99/25/159389925.db2.gz UJQSPKYZGVDHQS-CQSZACIVSA-N 1 2 290.363 1.409 20 30 CDEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000373215604 160183036 /nfs/dbraw/zinc/18/30/36/160183036.db2.gz JCXGBWWJEJPKSI-OAHLLOKOSA-N 1 2 287.363 1.237 20 30 CDEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000373215604 160183038 /nfs/dbraw/zinc/18/30/38/160183038.db2.gz JCXGBWWJEJPKSI-OAHLLOKOSA-N 1 2 287.363 1.237 20 30 CDEDLO C=CCCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000660949426 413681296 /nfs/dbraw/zinc/68/12/96/413681296.db2.gz DXSISGXWHWJROX-LBPRGKRZSA-N 1 2 260.341 1.536 20 30 CDEDLO C=CC[N@H+](Cc1ncnn1CC(C)C)[C@H](C)COC ZINC000661240873 413912754 /nfs/dbraw/zinc/91/27/54/413912754.db2.gz SLPUMCKNSQZBAE-CYBMUJFWSA-N 1 2 266.389 1.957 20 30 CDEDLO C=CC[N@@H+](Cc1ncnn1CC(C)C)[C@H](C)COC ZINC000661240873 413912758 /nfs/dbraw/zinc/91/27/58/413912758.db2.gz SLPUMCKNSQZBAE-CYBMUJFWSA-N 1 2 266.389 1.957 20 30 CDEDLO CN1CC[N@H+](CC#Cc2cccc(Cl)c2)CCC1=O ZINC000661809778 414377229 /nfs/dbraw/zinc/37/72/29/414377229.db2.gz XXYLTIXHMMYKJD-UHFFFAOYSA-N 1 2 276.767 1.856 20 30 CDEDLO CN1CC[N@@H+](CC#Cc2cccc(Cl)c2)CCC1=O ZINC000661809778 414377234 /nfs/dbraw/zinc/37/72/34/414377234.db2.gz XXYLTIXHMMYKJD-UHFFFAOYSA-N 1 2 276.767 1.856 20 30 CDEDLO Cc1ccc(C#N)c(N[C@H](C)C[NH+]2CCOCC2)n1 ZINC000043395754 175035559 /nfs/dbraw/zinc/03/55/59/175035559.db2.gz OZPJSPRSNSVZIO-GFCCVEGCSA-N 1 2 260.341 1.394 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000071856521 176278491 /nfs/dbraw/zinc/27/84/91/176278491.db2.gz WRWZTVDCELOCED-UHFFFAOYSA-N 1 2 282.141 1.348 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000071856521 176278492 /nfs/dbraw/zinc/27/84/92/176278492.db2.gz WRWZTVDCELOCED-UHFFFAOYSA-N 1 2 282.141 1.348 20 30 CDEDLO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000329054563 227275427 /nfs/dbraw/zinc/27/54/27/227275427.db2.gz SCSRHAIGNGRZJW-DGCLKSJQSA-N 1 2 279.384 1.581 20 30 CDEDLO C[C@H](C(=O)NC1CCCC1)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000329054563 227275432 /nfs/dbraw/zinc/27/54/32/227275432.db2.gz SCSRHAIGNGRZJW-DGCLKSJQSA-N 1 2 279.384 1.581 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)N(C[C@H]1CCOC1)C1CC1 ZINC000329168204 227336395 /nfs/dbraw/zinc/33/63/95/227336395.db2.gz IQNFRSHUBWGKLM-LLVKDONJSA-N 1 2 278.356 1.335 20 30 CDEDLO O=C(N[C@@H]1CCCCNC1=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000329265954 227395540 /nfs/dbraw/zinc/39/55/40/227395540.db2.gz COXFSSBCZHMECV-WDEREUQCSA-N 1 2 276.340 1.911 20 30 CDEDLO Cc1ncoc1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000329991313 228009209 /nfs/dbraw/zinc/00/92/09/228009209.db2.gz JTBOTVGCQYSKLS-VIFPVBQESA-N 1 2 253.302 1.008 20 30 CDEDLO O=C(CN1CCCCCC1=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330295862 228105078 /nfs/dbraw/zinc/10/50/78/228105078.db2.gz FWXKHCLXUOULLN-LBPRGKRZSA-N 1 2 290.367 1.557 20 30 CDEDLO COC1(C[NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000330182231 228058268 /nfs/dbraw/zinc/05/82/68/228058268.db2.gz HCULFZHWSFFFMO-LLVKDONJSA-N 1 2 278.356 1.271 20 30 CDEDLO COC1(CNC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000330182231 228058270 /nfs/dbraw/zinc/05/82/70/228058270.db2.gz HCULFZHWSFFFMO-LLVKDONJSA-N 1 2 278.356 1.271 20 30 CDEDLO N#CCC1(CS(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000333150954 228191153 /nfs/dbraw/zinc/19/11/53/228191153.db2.gz AOMLASGYZFLYTE-CYBMUJFWSA-N 1 2 297.424 1.180 20 30 CDEDLO N#CCC1(CS(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000333150954 228191154 /nfs/dbraw/zinc/19/11/54/228191154.db2.gz AOMLASGYZFLYTE-CYBMUJFWSA-N 1 2 297.424 1.180 20 30 CDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000336234711 228218820 /nfs/dbraw/zinc/21/88/20/228218820.db2.gz LXMZOBLASVGQIG-DOMZBBRYSA-N 1 2 289.404 1.942 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000407951432 260016516 /nfs/dbraw/zinc/01/65/16/260016516.db2.gz SSKUUNQXUHCZJL-WCQYABFASA-N 1 2 265.357 1.000 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000407951432 260016517 /nfs/dbraw/zinc/01/65/17/260016517.db2.gz SSKUUNQXUHCZJL-WCQYABFASA-N 1 2 265.357 1.000 20 30 CDEDLO N#CC1(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCCC1 ZINC000152464967 261064403 /nfs/dbraw/zinc/06/44/03/261064403.db2.gz WSZUJBIHULCKCY-CYBMUJFWSA-N 1 2 284.363 1.860 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cc(=O)n2cccc(C)c2n1 ZINC000490853436 261226917 /nfs/dbraw/zinc/22/69/17/261226917.db2.gz QZASWUWFMKNMRK-UHFFFAOYSA-N 1 2 279.343 1.461 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cc(=O)n2cccc(C)c2n1 ZINC000490853436 261226919 /nfs/dbraw/zinc/22/69/19/261226919.db2.gz QZASWUWFMKNMRK-UHFFFAOYSA-N 1 2 279.343 1.461 20 30 CDEDLO CC[C@]1(C)C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CCO1 ZINC000249001387 261234823 /nfs/dbraw/zinc/23/48/23/261234823.db2.gz YUBRACHTPWUMPB-HUUCEWRRSA-N 1 2 281.400 1.542 20 30 CDEDLO CC[C@]1(C)C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CCO1 ZINC000249001387 261234824 /nfs/dbraw/zinc/23/48/24/261234824.db2.gz YUBRACHTPWUMPB-HUUCEWRRSA-N 1 2 281.400 1.542 20 30 CDEDLO CCN(c1cc[nH+]cc1)S(=O)(=O)CC1(C#N)CC1 ZINC000165922074 261379978 /nfs/dbraw/zinc/37/99/78/261379978.db2.gz VENWSGZJSATCAQ-UHFFFAOYSA-N 1 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DYMHFWBEFPUEIL-UHFFFAOYSA-N 1 2 275.352 1.980 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)C[C@H](C#N)CCC#N)C1=O ZINC000281521205 263069732 /nfs/dbraw/zinc/06/97/32/263069732.db2.gz ZJFXDULWKSSXBZ-STQMWFEESA-N 1 2 260.341 1.149 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)C[C@H](C#N)CCC#N)C1=O ZINC000281521205 263069733 /nfs/dbraw/zinc/06/97/33/263069733.db2.gz ZJFXDULWKSSXBZ-STQMWFEESA-N 1 2 260.341 1.149 20 30 CDEDLO NC(=[NH+]OCc1ccn(-c2ccccc2)n1)[C@@H]1CCCO1 ZINC000284484821 263087008 /nfs/dbraw/zinc/08/70/08/263087008.db2.gz SCLMDSAFGQDPMY-AWEZNQCLSA-N 1 2 286.335 1.840 20 30 CDEDLO NC(=[NH+]OCc1nc(-c2ccsc2)no1)[C@H]1CCCO1 ZINC000284621740 263087595 /nfs/dbraw/zinc/08/75/95/263087595.db2.gz ZRGUTVYWWMKFSA-SECBINFHSA-N 1 2 294.336 1.766 20 30 CDEDLO N#CC1CCC(CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000288003302 263103223 /nfs/dbraw/zinc/10/32/23/263103223.db2.gz BKSZUQSKIDFPMQ-UHFFFAOYSA-N 1 2 260.341 1.788 20 30 CDEDLO C=CC[N@H+](CCC#N)CC1CCS(=O)(=O)CC1 ZINC000292375416 263131656 /nfs/dbraw/zinc/13/16/56/263131656.db2.gz YVQFLMSMIBEALC-UHFFFAOYSA-N 1 2 256.371 1.213 20 30 CDEDLO C=CC[N@@H+](CCC#N)CC1CCS(=O)(=O)CC1 ZINC000292375416 263131657 /nfs/dbraw/zinc/13/16/57/263131657.db2.gz YVQFLMSMIBEALC-UHFFFAOYSA-N 1 2 256.371 1.213 20 30 CDEDLO C[C@@H]([NH2+]CCC#N)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000299730877 263253765 /nfs/dbraw/zinc/25/37/65/263253765.db2.gz WZGZHADWYQJREY-LLVKDONJSA-N 1 2 281.381 1.501 20 30 CDEDLO Cc1cccn2c(=O)cc(C[N@@H+](C)C[C@@H](C)C#N)nc12 ZINC000049001104 263819156 /nfs/dbraw/zinc/81/91/56/263819156.db2.gz GGLFXNPCXLYLKC-NSHDSACASA-N 1 2 270.336 1.594 20 30 CDEDLO Cc1cccn2c(=O)cc(C[N@H+](C)C[C@@H](C)C#N)nc12 ZINC000049001104 263819157 /nfs/dbraw/zinc/81/91/57/263819157.db2.gz GGLFXNPCXLYLKC-NSHDSACASA-N 1 2 270.336 1.594 20 30 CDEDLO C[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)[C@@H]1CCOC1 ZINC000328763425 263857607 /nfs/dbraw/zinc/85/76/07/263857607.db2.gz FRPPLSFCRQMZMN-RWMBFGLXSA-N 1 2 292.383 1.548 20 30 CDEDLO C[C@@H](C#N)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000330574719 263977740 /nfs/dbraw/zinc/97/77/40/263977740.db2.gz NYYLWTMRJFABDD-GRYCIOLGSA-N 1 2 258.325 1.182 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)nn1 ZINC000425349227 264022985 /nfs/dbraw/zinc/02/29/85/264022985.db2.gz GHRZCFFAGJINHF-UHFFFAOYSA-N 1 2 299.334 1.085 20 30 CDEDLO CCC(CC)[C@H](C(=O)N(C)CC#N)[NH+]1CCOCC1 ZINC000330905043 264074088 /nfs/dbraw/zinc/07/40/88/264074088.db2.gz RFLYVCWATQRRPB-CYBMUJFWSA-N 1 2 267.373 1.105 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331337593 264193941 /nfs/dbraw/zinc/19/39/41/264193941.db2.gz VQOZEOJJUFJFEB-CYBMUJFWSA-N 1 2 281.400 1.495 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331337593 264193943 /nfs/dbraw/zinc/19/39/43/264193943.db2.gz VQOZEOJJUFJFEB-CYBMUJFWSA-N 1 2 281.400 1.495 20 30 CDEDLO Cc1noc(C)c1C[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000046060577 423924921 /nfs/dbraw/zinc/92/49/21/423924921.db2.gz MRJFRJHEWPUNKO-OAHLLOKOSA-N 1 2 292.383 1.778 20 30 CDEDLO Cc1noc(C)c1C[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000046060577 423924935 /nfs/dbraw/zinc/92/49/35/423924935.db2.gz MRJFRJHEWPUNKO-OAHLLOKOSA-N 1 2 292.383 1.778 20 30 CDEDLO C=CCCCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000367905878 267126500 /nfs/dbraw/zinc/12/65/00/267126500.db2.gz CFUWFMOAFGHJOF-AWEZNQCLSA-N 1 2 281.400 1.459 20 30 CDEDLO CC(C)[C@H](O)C[N@@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000368394804 267168340 /nfs/dbraw/zinc/16/83/40/267168340.db2.gz XBTGGERBPMPKTI-QLFBSQMISA-N 1 2 266.385 1.931 20 30 CDEDLO CC(C)[C@H](O)C[N@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000368394804 267168345 /nfs/dbraw/zinc/16/83/45/267168345.db2.gz XBTGGERBPMPKTI-QLFBSQMISA-N 1 2 266.385 1.931 20 30 CDEDLO N#C[C@@H]1[N@H+](C[C@@H]2CCOC2)CCC[C@@]12CCCCO2 ZINC000369391147 267239360 /nfs/dbraw/zinc/23/93/60/267239360.db2.gz JGBURUKEWWKDGP-KKUMJFAQSA-N 1 2 264.369 1.950 20 30 CDEDLO N#C[C@@H]1[N@@H+](C[C@@H]2CCOC2)CCC[C@@]12CCCCO2 ZINC000369391147 267239362 /nfs/dbraw/zinc/23/93/62/267239362.db2.gz JGBURUKEWWKDGP-KKUMJFAQSA-N 1 2 264.369 1.950 20 30 CDEDLO Cc1cc(NCCOCC(F)(F)F)c(C#N)c[nH+]1 ZINC000399581033 267300089 /nfs/dbraw/zinc/30/00/89/267300089.db2.gz NKJIJMPEUXSTOX-UHFFFAOYSA-N 1 2 259.231 1.674 20 30 CDEDLO C#C[C@@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)C(C)C ZINC000374278448 267772180 /nfs/dbraw/zinc/77/21/80/267772180.db2.gz FVUNWOLAQKTFGV-CQSZACIVSA-N 1 2 288.395 1.719 20 30 CDEDLO C[C@H]1C[C@H](CO)C[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000398822688 270362703 /nfs/dbraw/zinc/36/27/03/270362703.db2.gz NUOURXODRPMRQP-QWRGUYRKSA-N 1 2 293.392 1.509 20 30 CDEDLO C[C@H]1C[C@H](CO)C[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000398822688 270362705 /nfs/dbraw/zinc/36/27/05/270362705.db2.gz NUOURXODRPMRQP-QWRGUYRKSA-N 1 2 293.392 1.509 20 30 CDEDLO CS[C@@H](CO)[C@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000398983230 270366946 /nfs/dbraw/zinc/36/69/46/270366946.db2.gz GCJHANWGMNPMLJ-CABZTGNLSA-N 1 2 251.355 1.208 20 30 CDEDLO CC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425211500 277046951 /nfs/dbraw/zinc/04/69/51/277046951.db2.gz XCNBYHNQBZSXIE-CYBMUJFWSA-N 1 2 258.325 1.367 20 30 CDEDLO Cc1cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cnn1 ZINC000329826297 278619652 /nfs/dbraw/zinc/61/96/52/278619652.db2.gz IQDASAMTERNIJD-NSHDSACASA-N 1 2 257.297 1.301 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001590419942 1173403355 /nfs/dbraw/zinc/40/33/55/1173403355.db2.gz RDFPEDYDZOWQOZ-JTQLQIEISA-N 1 2 274.303 1.788 20 30 CDEDLO Cc1cccnc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330312425 278969627 /nfs/dbraw/zinc/96/96/27/278969627.db2.gz OHSASARHWWELKF-LLVKDONJSA-N 1 2 256.309 1.906 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)C[C@@]2(CCOC2)O1 ZINC000355651026 288209501 /nfs/dbraw/zinc/20/95/01/288209501.db2.gz BCRGZRIXEHCQRO-BXUZGUMPSA-N 1 2 278.377 2.000 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)C[C@@]2(CCOC2)O1 ZINC000355651026 288209502 /nfs/dbraw/zinc/20/95/02/288209502.db2.gz BCRGZRIXEHCQRO-BXUZGUMPSA-N 1 2 278.377 2.000 20 30 CDEDLO C[N@H+](Cc1ccc(F)cc1C#N)CC(C)(CO)CO ZINC000158976494 289321601 /nfs/dbraw/zinc/32/16/01/289321601.db2.gz WIYFBGOJBLBVJR-UHFFFAOYSA-N 1 2 266.316 1.120 20 30 CDEDLO C[N@@H+](Cc1ccc(F)cc1C#N)CC(C)(CO)CO ZINC000158976494 289321602 /nfs/dbraw/zinc/32/16/02/289321602.db2.gz WIYFBGOJBLBVJR-UHFFFAOYSA-N 1 2 266.316 1.120 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000556667593 290277440 /nfs/dbraw/zinc/27/74/40/290277440.db2.gz KKWOAMGTQYWUBR-UHFFFAOYSA-N 1 2 283.335 1.621 20 30 CDEDLO CO[C@H]1C[C@H]([N@H+](C)Cc2ncc(C#N)cn2)C12CCC2 ZINC000557259517 290339829 /nfs/dbraw/zinc/33/98/29/290339829.db2.gz IQJFFNPPSOPRCA-STQMWFEESA-N 1 2 272.352 1.738 20 30 CDEDLO CO[C@H]1C[C@H]([N@@H+](C)Cc2ncc(C#N)cn2)C12CCC2 ZINC000557259517 290339832 /nfs/dbraw/zinc/33/98/32/290339832.db2.gz IQJFFNPPSOPRCA-STQMWFEESA-N 1 2 272.352 1.738 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000559021661 290433879 /nfs/dbraw/zinc/43/38/79/290433879.db2.gz VQYALVIITRFEQV-UHFFFAOYSA-N 1 2 295.346 1.653 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCOc1ccc(F)cc1 ZINC000580316973 327783661 /nfs/dbraw/zinc/78/36/61/327783661.db2.gz IPLPREPVKNMAIL-HNNXBMFYSA-N 1 2 293.342 1.555 20 30 CDEDLO N#Cc1ccc(NC(=O)COCc2[nH]cc[nH+]2)cc1 ZINC000180031747 316000361 /nfs/dbraw/zinc/00/03/61/316000361.db2.gz GQEQMPAMHNIWBD-UHFFFAOYSA-N 1 2 256.265 1.437 20 30 CDEDLO C[C@H](F)CCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000563440927 316311154 /nfs/dbraw/zinc/31/11/54/316311154.db2.gz UAOKCYQFVHEHMH-LBPRGKRZSA-N 1 2 293.342 1.300 20 30 CDEDLO CC[C@H](CC#N)[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000575932592 328020376 /nfs/dbraw/zinc/02/03/76/328020376.db2.gz OLXYDBNGABLTHD-VXGBXAGGSA-N 1 2 275.356 1.197 20 30 CDEDLO CCN1CCN(c2ccc(C#N)c(C)n2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000575853490 317024995 /nfs/dbraw/zinc/02/49/95/317024995.db2.gz MNWJAGFFFPHSEZ-CQSZACIVSA-N 1 2 296.378 1.868 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000571295287 328100217 /nfs/dbraw/zinc/10/02/17/328100217.db2.gz UOZAKDWPRJWFPY-LLVKDONJSA-N 1 2 291.351 1.924 20 30 CDEDLO N#CCC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000274177495 328208920 /nfs/dbraw/zinc/20/89/20/328208920.db2.gz JQGWOXZZMOVEHV-UHFFFAOYSA-N 1 2 268.320 1.656 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CCCNc1ncncc1C#N ZINC000580002914 324339689 /nfs/dbraw/zinc/33/96/89/324339689.db2.gz VPJFSMGFIZUDCW-UHFFFAOYSA-N 1 2 292.346 1.931 20 30 CDEDLO Cc1cc(N[C@@H]([C@H](CO)C2CC2)C2CC2)c(C#N)c[nH+]1 ZINC000582721869 325030732 /nfs/dbraw/zinc/03/07/32/325030732.db2.gz VIDVBEXJCRXEQL-GDBMZVCRSA-N 1 2 271.364 1.893 20 30 CDEDLO CCC(=O)N1CCN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000583199999 325126728 /nfs/dbraw/zinc/12/67/28/325126728.db2.gz FZIFENWMPUWXQT-UHFFFAOYSA-N 1 2 283.335 1.218 20 30 CDEDLO O=C(NC[C@@H]1CCCCO1)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328599816 328569460 /nfs/dbraw/zinc/56/94/60/328569460.db2.gz CMHLIBGLYVPDFD-STQMWFEESA-N 1 2 292.383 1.833 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000092193420 327187681 /nfs/dbraw/zinc/18/76/81/327187681.db2.gz SFADMLDJXNNABU-LBPRGKRZSA-N 1 2 283.418 1.679 20 30 CDEDLO C#CC[N@H+](Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000092193420 327187683 /nfs/dbraw/zinc/18/76/83/327187683.db2.gz SFADMLDJXNNABU-LBPRGKRZSA-N 1 2 283.418 1.679 20 30 CDEDLO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1nnc2ccccn21 ZINC000560668569 327335465 /nfs/dbraw/zinc/33/54/65/327335465.db2.gz SRKFUYPYGYVJFI-VXGBXAGGSA-N 1 2 268.324 1.823 20 30 CDEDLO C#Cc1ccc(C[NH+]2CC(n3cc([C@H](C)O)nn3)C2)cc1 ZINC000377709762 329026382 /nfs/dbraw/zinc/02/63/82/329026382.db2.gz VDZZKQJTRJCWMZ-LBPRGKRZSA-N 1 2 282.347 1.370 20 30 CDEDLO CC[C@@H](CC#N)[NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000582496080 329101137 /nfs/dbraw/zinc/10/11/37/329101137.db2.gz WZMWUQOIEBYREA-DZGCQCFKSA-N 1 2 282.347 1.945 20 30 CDEDLO C[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)C1CC1 ZINC000175288786 329167464 /nfs/dbraw/zinc/16/74/64/329167464.db2.gz BUVJZOXRDGDYOV-CYBMUJFWSA-N 1 2 279.384 1.107 20 30 CDEDLO N#CCC[N@@H+](CCC(=O)N1CCOCC1)Cc1ccco1 ZINC000176292373 329174096 /nfs/dbraw/zinc/17/40/96/329174096.db2.gz VARVCFGTINDINX-UHFFFAOYSA-N 1 2 291.351 1.244 20 30 CDEDLO N#CCC[N@H+](CCC(=O)N1CCOCC1)Cc1ccco1 ZINC000176292373 329174097 /nfs/dbraw/zinc/17/40/97/329174097.db2.gz VARVCFGTINDINX-UHFFFAOYSA-N 1 2 291.351 1.244 20 30 CDEDLO CCC(CC)[C@@H](C(=O)N[C@@H](C#N)CC)[NH+]1CCOCC1 ZINC000179241545 329206582 /nfs/dbraw/zinc/20/65/82/329206582.db2.gz VFBBDVLPHLANFK-KGLIPLIRSA-N 1 2 281.400 1.542 20 30 CDEDLO CC#CCCCC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000185461026 329274007 /nfs/dbraw/zinc/27/40/07/329274007.db2.gz LSMCKZVNDSRGFR-UHFFFAOYSA-N 1 2 266.385 1.407 20 30 CDEDLO CC#CCCCC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000185461026 329274009 /nfs/dbraw/zinc/27/40/09/329274009.db2.gz LSMCKZVNDSRGFR-UHFFFAOYSA-N 1 2 266.385 1.407 20 30 CDEDLO CCOCc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000583140187 329320816 /nfs/dbraw/zinc/32/08/16/329320816.db2.gz REPWEGJTOBIGHF-MRXNPFEDSA-N 1 2 291.395 1.841 20 30 CDEDLO CCOCc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000583140187 329320817 /nfs/dbraw/zinc/32/08/17/329320817.db2.gz REPWEGJTOBIGHF-MRXNPFEDSA-N 1 2 291.395 1.841 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(F)c(F)c1F ZINC000584533263 329515402 /nfs/dbraw/zinc/51/54/02/329515402.db2.gz VGSFJVFSCRUUPI-CYBMUJFWSA-N 1 2 285.269 1.678 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc2cccnc21 ZINC000572367839 330011495 /nfs/dbraw/zinc/01/14/95/330011495.db2.gz KWUNXKJPFNQWAH-INIZCTEOSA-N 1 2 282.347 1.808 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCOc1cccnc1 ZINC000574992321 330127470 /nfs/dbraw/zinc/12/74/70/330127470.db2.gz DPKGEKSJZXOJJL-OAHLLOKOSA-N 1 2 290.367 1.201 20 30 CDEDLO COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433306187 330217488 /nfs/dbraw/zinc/21/74/88/330217488.db2.gz QBENYUVAACKQQH-LBPRGKRZSA-N 1 2 297.399 1.172 20 30 CDEDLO COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433306187 330217489 /nfs/dbraw/zinc/21/74/89/330217489.db2.gz QBENYUVAACKQQH-LBPRGKRZSA-N 1 2 297.399 1.172 20 30 CDEDLO C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CC(O)(CC#N)C1 ZINC000424144382 330289970 /nfs/dbraw/zinc/28/99/70/330289970.db2.gz XKEMTBWJCANLPL-OCCSQVGLSA-N 1 2 260.337 1.111 20 30 CDEDLO C=CC[N@@H+](CCOCCC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000120767563 330391258 /nfs/dbraw/zinc/39/12/58/330391258.db2.gz ASGNJGGXCONIHV-AWEZNQCLSA-N 1 2 289.441 1.724 20 30 CDEDLO C=CC[N@H+](CCOCCC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000120767563 330391259 /nfs/dbraw/zinc/39/12/59/330391259.db2.gz ASGNJGGXCONIHV-AWEZNQCLSA-N 1 2 289.441 1.724 20 30 CDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000449838439 330951722 /nfs/dbraw/zinc/95/17/22/330951722.db2.gz FTBRWCLKMMSXBD-DYVFJYSZSA-N 1 2 299.374 1.586 20 30 CDEDLO C=C(CC)CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000455515498 331171361 /nfs/dbraw/zinc/17/13/61/331171361.db2.gz BBPPPFCUWBHVMZ-LBPRGKRZSA-N 1 2 262.357 1.885 20 30 CDEDLO CC[C@@H](C(=O)NCC(C)(C)CC#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000458013671 331240843 /nfs/dbraw/zinc/24/08/43/331240843.db2.gz BNWMZKLTJODVPZ-KGLIPLIRSA-N 1 2 295.427 1.932 20 30 CDEDLO CC[C@@H](C(=O)NCC(C)(C)CC#N)[N@H+]1CCO[C@H](CC)C1 ZINC000458013671 331240844 /nfs/dbraw/zinc/24/08/44/331240844.db2.gz BNWMZKLTJODVPZ-KGLIPLIRSA-N 1 2 295.427 1.932 20 30 CDEDLO C=CCn1cccc1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000488857890 332029833 /nfs/dbraw/zinc/02/98/33/332029833.db2.gz OIKQQMUQPXQMHW-UHFFFAOYSA-N 1 2 291.395 1.515 20 30 CDEDLO C=CCn1cccc1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000488857890 332029835 /nfs/dbraw/zinc/02/98/35/332029835.db2.gz OIKQQMUQPXQMHW-UHFFFAOYSA-N 1 2 291.395 1.515 20 30 CDEDLO C#CCN(CC#CC)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000490687271 332103778 /nfs/dbraw/zinc/10/37/78/332103778.db2.gz BDRMZNHPEGKGIE-UHFFFAOYSA-N 1 2 286.379 1.707 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N(C)Cc1ccc(F)cc1 ZINC000490687929 332104079 /nfs/dbraw/zinc/10/40/79/332104079.db2.gz FTZFFIAAKGDARM-UHFFFAOYSA-N 1 2 286.350 1.743 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N(C)Cc1ccc(F)cc1 ZINC000490687929 332104081 /nfs/dbraw/zinc/10/40/81/332104081.db2.gz FTZFFIAAKGDARM-UHFFFAOYSA-N 1 2 286.350 1.743 20 30 CDEDLO C#CC[N@@H+](CCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000490841409 332119702 /nfs/dbraw/zinc/11/97/02/332119702.db2.gz UJJDLOOHVJRZSO-MRXNPFEDSA-N 1 2 291.416 1.660 20 30 CDEDLO C#CC[N@H+](CCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000490841409 332119703 /nfs/dbraw/zinc/11/97/03/332119703.db2.gz UJJDLOOHVJRZSO-MRXNPFEDSA-N 1 2 291.416 1.660 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCc1nc2ccccc2n1C ZINC000491264943 332176642 /nfs/dbraw/zinc/17/66/42/332176642.db2.gz IVQSNYAISSIRIF-CYBMUJFWSA-N 1 2 269.348 1.450 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCc1nc2ccccc2n1C ZINC000491264943 332176643 /nfs/dbraw/zinc/17/66/43/332176643.db2.gz IVQSNYAISSIRIF-CYBMUJFWSA-N 1 2 269.348 1.450 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000491315979 332188768 /nfs/dbraw/zinc/18/87/68/332188768.db2.gz RINAINSENVSMLJ-NSHDSACASA-N 1 2 260.341 1.311 20 30 CDEDLO C#C[C@H]1COCCN1C(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000491339124 332192922 /nfs/dbraw/zinc/19/29/22/332192922.db2.gz NUAFHDMPYXXUAM-ZDUSSCGKSA-N 1 2 283.331 1.356 20 30 CDEDLO C#C[C@H](CC)NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000491347978 332194149 /nfs/dbraw/zinc/19/41/49/332194149.db2.gz BBURDPLFUABEGI-CQSZACIVSA-N 1 2 286.379 1.893 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@H](c2cccc(OC)c2)CC1=O ZINC000491362718 332197448 /nfs/dbraw/zinc/19/74/48/332197448.db2.gz UXGQINACJMTVIK-UKRRQHHQSA-N 1 2 286.375 1.922 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@H](c2cccc(OC)c2)CC1=O ZINC000491362718 332197450 /nfs/dbraw/zinc/19/74/50/332197450.db2.gz UXGQINACJMTVIK-UKRRQHHQSA-N 1 2 286.375 1.922 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000491496448 332223214 /nfs/dbraw/zinc/22/32/14/332223214.db2.gz QNJBZKPDBYLGBS-AWEZNQCLSA-N 1 2 262.353 1.421 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000491496448 332223215 /nfs/dbraw/zinc/22/32/15/332223215.db2.gz QNJBZKPDBYLGBS-AWEZNQCLSA-N 1 2 262.353 1.421 20 30 CDEDLO C#CC[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)C1CC1 ZINC000491651682 332264861 /nfs/dbraw/zinc/26/48/61/332264861.db2.gz IGWUDGBIFSYDRX-CYBMUJFWSA-N 1 2 250.386 1.977 20 30 CDEDLO C#CC[NH+]1CCN(Cn2nc(C(F)(F)F)cc2C)CC1 ZINC000491710713 332302372 /nfs/dbraw/zinc/30/23/72/332302372.db2.gz YWVUOVZVASWNQY-UHFFFAOYSA-N 1 2 286.301 1.419 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000491734747 332315590 /nfs/dbraw/zinc/31/55/90/332315590.db2.gz FBTRYDDKMLIDMU-BXUZGUMPSA-N 1 2 250.342 1.319 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000491734747 332315591 /nfs/dbraw/zinc/31/55/91/332315591.db2.gz FBTRYDDKMLIDMU-BXUZGUMPSA-N 1 2 250.342 1.319 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1=O ZINC000491739114 332318368 /nfs/dbraw/zinc/31/83/68/332318368.db2.gz XGNYTNLLKFNREA-SMTWKSNJSA-N 1 2 274.364 1.319 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1=O ZINC000491739114 332318370 /nfs/dbraw/zinc/31/83/70/332318370.db2.gz XGNYTNLLKFNREA-SMTWKSNJSA-N 1 2 274.364 1.319 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000491739085 332318574 /nfs/dbraw/zinc/31/85/74/332318574.db2.gz NHZGJIATCRFYQC-GFCCVEGCSA-N 1 2 260.341 1.547 20 30 CDEDLO C#C[C@H](CC)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000491765228 332333681 /nfs/dbraw/zinc/33/36/81/332333681.db2.gz FDSOXUVEUWXBOD-GFCCVEGCSA-N 1 2 260.341 1.711 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000491777510 332342887 /nfs/dbraw/zinc/34/28/87/332342887.db2.gz ZVLCSCHXZWQUOY-LBPRGKRZSA-N 1 2 273.336 1.555 20 30 CDEDLO C#C[C@@H](CC)NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000491804394 332358178 /nfs/dbraw/zinc/35/81/78/332358178.db2.gz LSEOUISSYUMKJS-LBPRGKRZSA-N 1 2 255.321 1.873 20 30 CDEDLO C[C@H](CC#N)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000194647850 333274650 /nfs/dbraw/zinc/27/46/50/333274650.db2.gz ROKLBYSCKYRRFS-SNVBAGLBSA-N 1 2 299.290 1.812 20 30 CDEDLO CCC[C@@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523283066 333314461 /nfs/dbraw/zinc/31/44/61/333314461.db2.gz QOMMPOVLVGBJAD-JTQLQIEISA-N 1 2 270.296 1.084 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CSc2ccccc21 ZINC000555483166 334479703 /nfs/dbraw/zinc/47/97/03/334479703.db2.gz XHUOPUMPWVECML-WFASDCNBSA-N 1 2 289.404 1.836 20 30 CDEDLO C[C@H](Oc1ccccc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000564872058 334525177 /nfs/dbraw/zinc/52/51/77/334525177.db2.gz KXLXMSBENNGNJA-SWLSCSKDSA-N 1 2 275.352 1.414 20 30 CDEDLO CO[C@@H]1CCC[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000566072103 334620588 /nfs/dbraw/zinc/62/05/88/334620588.db2.gz XIVHSYCTBYVEQE-SCRDCRAPSA-N 1 2 267.373 1.152 20 30 CDEDLO C=C(C)COCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000153834247 334680852 /nfs/dbraw/zinc/68/08/52/334680852.db2.gz JMSCSYITISJCFM-LBPRGKRZSA-N 1 2 263.341 1.154 20 30 CDEDLO CCc1ccc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000567170616 334687053 /nfs/dbraw/zinc/68/70/53/334687053.db2.gz FGMIPHICCJJYBD-MRXNPFEDSA-N 1 2 273.380 1.752 20 30 CDEDLO CC[C@@H]([NH2+]CCC#N)c1cccc(S(N)(=O)=O)c1 ZINC000576578986 335221122 /nfs/dbraw/zinc/22/11/22/335221122.db2.gz VYHIYKBKFPYBJC-GFCCVEGCSA-N 1 2 267.354 1.288 20 30 CDEDLO C=CCCCCCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000577292847 335336320 /nfs/dbraw/zinc/33/63/20/335336320.db2.gz IRLNMBRRQYGSPX-ZDUSSCGKSA-N 1 2 254.374 1.570 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H](CC)OC2CCCC2)C1 ZINC001754583228 1159298575 /nfs/dbraw/zinc/29/85/75/1159298575.db2.gz QOHSFKJIKBTPFU-MRXNPFEDSA-N 1 2 292.423 1.890 20 30 CDEDLO C=CC(C)(C)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000651818634 482452208 /nfs/dbraw/zinc/45/22/08/482452208.db2.gz UQCNABSKBQRBFP-UHFFFAOYSA-N 1 2 286.335 1.601 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000682039008 483115237 /nfs/dbraw/zinc/11/52/37/483115237.db2.gz OORAUELPCATDTQ-LLVKDONJSA-N 1 2 280.290 1.332 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000682039008 483115243 /nfs/dbraw/zinc/11/52/43/483115243.db2.gz OORAUELPCATDTQ-LLVKDONJSA-N 1 2 280.290 1.332 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000685769833 483215606 /nfs/dbraw/zinc/21/56/06/483215606.db2.gz VBFHLKKCEHNPKU-MRXNPFEDSA-N 1 2 287.363 1.629 20 30 CDEDLO COCC#CC[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000678975303 483238835 /nfs/dbraw/zinc/23/88/35/483238835.db2.gz UEYITVBOLLWNCP-INIZCTEOSA-N 1 2 259.349 1.580 20 30 CDEDLO COCC#CC[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000678975303 483238843 /nfs/dbraw/zinc/23/88/43/483238843.db2.gz UEYITVBOLLWNCP-INIZCTEOSA-N 1 2 259.349 1.580 20 30 CDEDLO C=CCCn1cc(C[NH+]2CCC(O)(C(F)F)CC2)nn1 ZINC000653625362 483289942 /nfs/dbraw/zinc/28/99/42/483289942.db2.gz AGTUCCHTNHMUCL-UHFFFAOYSA-N 1 2 286.326 1.446 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001106081129 1161047043 /nfs/dbraw/zinc/04/70/43/1161047043.db2.gz YAISSMINUNWHGC-WFASDCNBSA-N 1 2 292.383 1.276 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)NCc2ccc(F)cc2)CC1 ZINC000253453448 1161210589 /nfs/dbraw/zinc/21/05/89/1161210589.db2.gz BZADRZVUDOVMNR-UHFFFAOYSA-N 1 2 277.343 1.839 20 30 CDEDLO C[C@@H](CNC(=O)[C@]1(C#N)CC12CCCC2)[NH+]1CCOCC1 ZINC000333250041 534027341 /nfs/dbraw/zinc/02/73/41/534027341.db2.gz YBKUKKRHYVSPLT-XJKSGUPXSA-N 1 2 291.395 1.297 20 30 CDEDLO C#CC[N@@H+](CCNS(=O)(=O)CC)Cc1ccc(F)cc1 ZINC000068815662 518258663 /nfs/dbraw/zinc/25/86/63/518258663.db2.gz FCKCHOCFYDCQIJ-UHFFFAOYSA-N 1 2 298.383 1.200 20 30 CDEDLO C#CC[N@H+](CCNS(=O)(=O)CC)Cc1ccc(F)cc1 ZINC000068815662 518258669 /nfs/dbraw/zinc/25/86/69/518258669.db2.gz FCKCHOCFYDCQIJ-UHFFFAOYSA-N 1 2 298.383 1.200 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000069537784 518271994 /nfs/dbraw/zinc/27/19/94/518271994.db2.gz LLOYGURXWYLVIL-ZDUSSCGKSA-N 1 2 296.367 1.202 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000069537784 518272000 /nfs/dbraw/zinc/27/20/00/518272000.db2.gz LLOYGURXWYLVIL-ZDUSSCGKSA-N 1 2 296.367 1.202 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000156886789 523519897 /nfs/dbraw/zinc/51/98/97/523519897.db2.gz CQWRRUNPTKJLQM-GJZGRUSLSA-N 1 2 299.374 1.810 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000156886789 523519903 /nfs/dbraw/zinc/51/99/03/523519903.db2.gz CQWRRUNPTKJLQM-GJZGRUSLSA-N 1 2 299.374 1.810 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC000330053031 534719047 /nfs/dbraw/zinc/71/90/47/534719047.db2.gz PXOMIMHBQDEOKF-VIFPVBQESA-N 1 2 250.302 1.043 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+](CC)CC(=O)N1CCCCCC1 ZINC000353218623 526621894 /nfs/dbraw/zinc/62/18/94/526621894.db2.gz XNHXYTJCMAKVQT-CQSZACIVSA-N 1 2 295.427 1.402 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](CC)CC(=O)N1CCCCCC1 ZINC000353218623 526621896 /nfs/dbraw/zinc/62/18/96/526621896.db2.gz XNHXYTJCMAKVQT-CQSZACIVSA-N 1 2 295.427 1.402 20 30 CDEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@H]2C[C@@H]2C2CC2)CC1 ZINC000330355625 526624374 /nfs/dbraw/zinc/62/43/74/526624374.db2.gz QTASDFVBNNGBQF-KGLIPLIRSA-N 1 2 279.384 1.153 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000347595553 527028588 /nfs/dbraw/zinc/02/85/88/527028588.db2.gz AJQJWEVNULQFIU-OAHLLOKOSA-N 1 2 280.412 1.982 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000347595553 527028592 /nfs/dbraw/zinc/02/85/92/527028592.db2.gz AJQJWEVNULQFIU-OAHLLOKOSA-N 1 2 280.412 1.982 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000347623633 527045411 /nfs/dbraw/zinc/04/54/11/527045411.db2.gz MIWLXQAYDJXHSP-QWHCGFSZSA-N 1 2 269.389 1.361 20 30 CDEDLO C=CCC1(C(=O)NCC2([NH+]3CCOCC3)CC2)CCC1 ZINC000347291525 527051978 /nfs/dbraw/zinc/05/19/78/527051978.db2.gz XUJHHCKCRBEYGJ-UHFFFAOYSA-N 1 2 278.396 1.714 20 30 CDEDLO C=CCCCNC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000354505777 527217239 /nfs/dbraw/zinc/21/72/39/527217239.db2.gz YOPAXEKQKNJEBD-CYBMUJFWSA-N 1 2 291.399 1.764 20 30 CDEDLO CC(C)[C@@H]1CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000330187152 528710195 /nfs/dbraw/zinc/71/01/95/528710195.db2.gz KEFFTKPFPNIRCU-STQMWFEESA-N 1 2 292.383 1.469 20 30 CDEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCCOCC1 ZINC000328757692 538389131 /nfs/dbraw/zinc/38/91/31/538389131.db2.gz VFJAGJGOGIPBFN-CYBMUJFWSA-N 1 2 290.367 1.297 20 30 CDEDLO CCc1nc2n(n1)C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)CC2 ZINC000329283913 538555263 /nfs/dbraw/zinc/55/52/63/538555263.db2.gz NQRKFCYUCHHKLL-NSHDSACASA-N 1 2 288.355 1.468 20 30 CDEDLO CCc1nc2n(n1)C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)CC2 ZINC000329283913 538555270 /nfs/dbraw/zinc/55/52/70/538555270.db2.gz NQRKFCYUCHHKLL-NSHDSACASA-N 1 2 288.355 1.468 20 30 CDEDLO O=C(NC[C@@H]1CC=CCC1)N1CCn2cc[nH+]c2C1 ZINC000329846946 538696922 /nfs/dbraw/zinc/69/69/22/538696922.db2.gz PCFYQNQXBIQDME-GFCCVEGCSA-N 1 2 260.341 1.969 20 30 CDEDLO COC(=O)C(C)(C)[NH2+]CCCOc1ccc(C#N)cc1 ZINC000731211925 575038523 /nfs/dbraw/zinc/03/85/23/575038523.db2.gz JFBDWHNKNVTBFZ-UHFFFAOYSA-N 1 2 276.336 1.868 20 30 CDEDLO C=CCNC(=O)[C@@H](C)OC(=O)c1ccc2[nH+]ccn2c1 ZINC000731907740 575070028 /nfs/dbraw/zinc/07/00/28/575070028.db2.gz MFDUMCNVTZYTDI-SNVBAGLBSA-N 1 2 273.292 1.182 20 30 CDEDLO Cc1[nH]c[nH+]c1C=NN1CCc2ccccc2C1=O ZINC000769592198 575362361 /nfs/dbraw/zinc/36/23/61/575362361.db2.gz GRQDEFJBTUIGMM-UHFFFAOYSA-N 1 2 254.293 1.751 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)c1cccc2[nH+]ccn21 ZINC000770411490 575447213 /nfs/dbraw/zinc/44/72/13/575447213.db2.gz HLQNIXZVJZFHHW-NSHDSACASA-N 1 2 256.309 1.956 20 30 CDEDLO CN(C)[C@H](C(=O)Nc1cc(C#N)ccc1O)c1c[nH+]cn1C ZINC000774080510 575850978 /nfs/dbraw/zinc/85/09/78/575850978.db2.gz HZPQUNBJOFWBHM-AWEZNQCLSA-N 1 2 299.334 1.239 20 30 CDEDLO N#CC1(NC(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000737854547 576018015 /nfs/dbraw/zinc/01/80/15/576018015.db2.gz JQJGBFDXEKQEGF-UHFFFAOYSA-N 1 2 253.265 1.053 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CCC[C@H]2CSC)c1=S ZINC000767768081 576227358 /nfs/dbraw/zinc/22/73/58/576227358.db2.gz PRRBIIXYDOFMKN-JTQLQIEISA-N 1 2 285.442 1.780 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CCC[C@H]2CSC)c1=S ZINC000767768081 576227359 /nfs/dbraw/zinc/22/73/59/576227359.db2.gz PRRBIIXYDOFMKN-JTQLQIEISA-N 1 2 285.442 1.780 20 30 CDEDLO C=CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741385506 576554910 /nfs/dbraw/zinc/55/49/10/576554910.db2.gz RMMOQQXKCVMOJU-AWEZNQCLSA-N 1 2 261.321 1.617 20 30 CDEDLO C=CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741385506 576554911 /nfs/dbraw/zinc/55/49/11/576554911.db2.gz RMMOQQXKCVMOJU-AWEZNQCLSA-N 1 2 261.321 1.617 20 30 CDEDLO C[C@@H](C#N)OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741390479 576554934 /nfs/dbraw/zinc/55/49/34/576554934.db2.gz YRGZLTUJZWQTDF-JSGCOSHPSA-N 1 2 274.320 1.343 20 30 CDEDLO C[C@@H](C#N)OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741390479 576554935 /nfs/dbraw/zinc/55/49/35/576554935.db2.gz YRGZLTUJZWQTDF-JSGCOSHPSA-N 1 2 274.320 1.343 20 30 CDEDLO Cc1ccc(C)c(S(=O)(=O)NN=C2C[C@H](C)[N@@H+](C)C2)c1 ZINC000761792254 576593472 /nfs/dbraw/zinc/59/34/72/576593472.db2.gz DBEGIVBTXVTRRR-LBPRGKRZSA-N 1 2 295.408 1.662 20 30 CDEDLO Cc1ccc(C)c(S(=O)(=O)NN=C2C[C@H](C)[N@H+](C)C2)c1 ZINC000761792254 576593475 /nfs/dbraw/zinc/59/34/75/576593475.db2.gz DBEGIVBTXVTRRR-LBPRGKRZSA-N 1 2 295.408 1.662 20 30 CDEDLO Cc1noc(C)c1C=NNc1ccc(-n2cc[nH+]c2)nn1 ZINC000761836125 576596795 /nfs/dbraw/zinc/59/67/95/576596795.db2.gz NIMVYRYFBCCMJZ-UHFFFAOYSA-N 1 2 283.295 1.713 20 30 CDEDLO Cc1nn(C)c(C)c1CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761846710 576597138 /nfs/dbraw/zinc/59/71/38/576597138.db2.gz QBIBSRZICUUFDY-UHFFFAOYSA-N 1 2 296.338 1.459 20 30 CDEDLO Oc1cccc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)c1 ZINC000761856665 576598257 /nfs/dbraw/zinc/59/82/57/576598257.db2.gz CVRPACJLNSSVNF-UHFFFAOYSA-N 1 2 280.291 1.814 20 30 CDEDLO Cn1cc(N[NH+]=Cc2cnc(N3CCCC3)nc2)cn1 ZINC000761867073 576600019 /nfs/dbraw/zinc/60/00/19/576600019.db2.gz BGVGOPGCZKRHOI-UHFFFAOYSA-N 1 2 271.328 1.256 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N(C1CC1)C1CCCC1 ZINC000743852561 576657741 /nfs/dbraw/zinc/65/77/41/576657741.db2.gz WCVALMYFGMDNSB-UHFFFAOYSA-N 1 2 272.392 1.879 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N(C1CC1)C1CCCC1 ZINC000743852561 576657744 /nfs/dbraw/zinc/65/77/44/576657744.db2.gz WCVALMYFGMDNSB-UHFFFAOYSA-N 1 2 272.392 1.879 20 30 CDEDLO COCC#CCOC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000762836001 576680182 /nfs/dbraw/zinc/68/01/82/576680182.db2.gz YVSBOULCRAXAQO-QLFBSQMISA-N 1 2 297.395 1.313 20 30 CDEDLO COCC#CCOC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000762836001 576680183 /nfs/dbraw/zinc/68/01/83/576680183.db2.gz YVSBOULCRAXAQO-QLFBSQMISA-N 1 2 297.395 1.313 20 30 CDEDLO COCC#CCOC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000762836000 576680202 /nfs/dbraw/zinc/68/02/02/576680202.db2.gz YVSBOULCRAXAQO-KKUMJFAQSA-N 1 2 297.395 1.313 20 30 CDEDLO COCC#CC[NH+]1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000762925593 576694198 /nfs/dbraw/zinc/69/41/98/576694198.db2.gz IQDNEHNCFJGSBU-KBPBESRZSA-N 1 2 296.411 1.966 20 30 CDEDLO C[C@H]1CC(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)=NO1 ZINC000763261324 576727211 /nfs/dbraw/zinc/72/72/11/576727211.db2.gz WMHVKYLCOXCFLI-JTQLQIEISA-N 1 2 270.292 1.724 20 30 CDEDLO N#Cc1nc(-n2c[nH+]c(CCCO)c2)ccc1Cl ZINC000749283459 576942375 /nfs/dbraw/zinc/94/23/75/576942375.db2.gz XXPQLASYFFNZPG-UHFFFAOYSA-N 1 2 262.700 1.717 20 30 CDEDLO CCC#C[C@H](C)[NH+]1CCN(C2=NC[C@H](C)S2)CC1 ZINC000757662629 577049527 /nfs/dbraw/zinc/04/95/27/577049527.db2.gz PNQBISPAIFEICR-STQMWFEESA-N 1 2 265.426 1.897 20 30 CDEDLO C#CCNC(=S)NCCCn1c(C)[nH+]c2ccccc21 ZINC000758178874 577077768 /nfs/dbraw/zinc/07/77/68/577077768.db2.gz AIEQNDJUFRRFMK-UHFFFAOYSA-N 1 2 286.404 1.832 20 30 CDEDLO COc1ccc(OC)c([C@@H](O)C[N@H+](C)[C@H](C)CC#N)c1 ZINC000759363874 577173532 /nfs/dbraw/zinc/17/35/32/577173532.db2.gz RRVMENLQIUPAAY-RISCZKNCSA-N 1 2 278.352 1.971 20 30 CDEDLO COc1ccc(OC)c([C@@H](O)C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000759363874 577173534 /nfs/dbraw/zinc/17/35/34/577173534.db2.gz RRVMENLQIUPAAY-RISCZKNCSA-N 1 2 278.352 1.971 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2onc(C)c2C)C1 ZINC000950589947 612993193 /nfs/dbraw/zinc/99/31/93/612993193.db2.gz PJYLTKFYYZJCTN-UHFFFAOYSA-N 1 2 275.352 1.461 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(-c2nn[nH]n2)s1 ZINC000823844597 608710705 /nfs/dbraw/zinc/71/07/05/608710705.db2.gz CMMNTMHYVVNGMX-UHFFFAOYSA-N 1 2 271.349 1.387 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1ccc(-c2nn[nH]n2)s1 ZINC000823844597 608710708 /nfs/dbraw/zinc/71/07/08/608710708.db2.gz CMMNTMHYVVNGMX-UHFFFAOYSA-N 1 2 271.349 1.387 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(C)nc2)C1 ZINC000949687875 612992131 /nfs/dbraw/zinc/99/21/31/612992131.db2.gz GGTNVJKWBXDWBY-UHFFFAOYSA-N 1 2 271.364 1.560 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2cnoc2C(C)C)CC1 ZINC000983513797 613159839 /nfs/dbraw/zinc/15/98/39/613159839.db2.gz UDALMXRNBYXNSM-UHFFFAOYSA-N 1 2 275.352 1.579 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2cnoc2C(C)C)CC1 ZINC000983513797 613159840 /nfs/dbraw/zinc/15/98/40/613159840.db2.gz UDALMXRNBYXNSM-UHFFFAOYSA-N 1 2 275.352 1.579 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+](CCF)CC[C@H]2C)cn1 ZINC000968560572 613191868 /nfs/dbraw/zinc/19/18/68/613191868.db2.gz DIGSGZGMYLEHFZ-DOMZBBRYSA-N 1 2 289.354 1.473 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@H+](CCF)CC[C@H]2C)cn1 ZINC000968560572 613191870 /nfs/dbraw/zinc/19/18/70/613191870.db2.gz DIGSGZGMYLEHFZ-DOMZBBRYSA-N 1 2 289.354 1.473 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2snnc2CC)C(C)(C)C1 ZINC000974793144 613285754 /nfs/dbraw/zinc/28/57/54/613285754.db2.gz UFFSOXUKOUDNPL-LLVKDONJSA-N 1 2 292.408 1.174 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2snnc2CC)C(C)(C)C1 ZINC000974793144 613285755 /nfs/dbraw/zinc/28/57/55/613285755.db2.gz UFFSOXUKOUDNPL-LLVKDONJSA-N 1 2 292.408 1.174 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC000957298813 613294601 /nfs/dbraw/zinc/29/46/01/613294601.db2.gz LELABFPDDFNEAO-HNNXBMFYSA-N 1 2 293.411 1.106 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc3n[nH]nc3c2)C1 ZINC000957376020 613296390 /nfs/dbraw/zinc/29/63/90/613296390.db2.gz VXXFCLCQUQWUEM-UHFFFAOYSA-N 1 2 299.378 1.680 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnc3n[nH]cc3c2)C1 ZINC000950601398 613297323 /nfs/dbraw/zinc/29/73/23/613297323.db2.gz KXSGORNLAATMJF-UHFFFAOYSA-N 1 2 299.378 1.680 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1 ZINC000957620047 613320848 /nfs/dbraw/zinc/32/08/48/613320848.db2.gz TUBZTESZNLQEMP-UHFFFAOYSA-N 1 2 285.351 1.292 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cn(C)nc2C(C)C)CC1 ZINC000957638090 613321535 /nfs/dbraw/zinc/32/15/35/613321535.db2.gz YVXCUAMDXXLEIV-UHFFFAOYSA-N 1 2 290.411 1.877 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cn2ccc(C)n2)CC1 ZINC000981985232 613373387 /nfs/dbraw/zinc/37/33/87/613373387.db2.gz MGBZQRSKDQRYIZ-UHFFFAOYSA-N 1 2 296.802 1.478 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cn2ccc(C)n2)CC1 ZINC000981985232 613373388 /nfs/dbraw/zinc/37/33/88/613373388.db2.gz MGBZQRSKDQRYIZ-UHFFFAOYSA-N 1 2 296.802 1.478 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cn(C)cn2)C1 ZINC000965904418 613375518 /nfs/dbraw/zinc/37/55/18/613375518.db2.gz AEMSTPBTFTWSMC-PWSUYJOCSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cn(C)cn2)C1 ZINC000965904418 613375519 /nfs/dbraw/zinc/37/55/19/613375519.db2.gz AEMSTPBTFTWSMC-PWSUYJOCSA-N 1 2 296.802 1.613 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2cnnn2C)C1 ZINC000972083135 613439011 /nfs/dbraw/zinc/43/90/11/613439011.db2.gz VUJHHHOEZGFMJI-LBPRGKRZSA-N 1 2 291.399 1.060 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2cnnn2C)C1 ZINC000972083135 613439015 /nfs/dbraw/zinc/43/90/15/613439015.db2.gz VUJHHHOEZGFMJI-LBPRGKRZSA-N 1 2 291.399 1.060 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1 ZINC000957809252 613563219 /nfs/dbraw/zinc/56/32/19/613563219.db2.gz PHXOMRZXIXCLHK-UHFFFAOYSA-N 1 2 296.374 1.273 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccoc3)C2)C1 ZINC000972259437 613571101 /nfs/dbraw/zinc/57/11/01/613571101.db2.gz PBWYEZJUDZHKRZ-INIZCTEOSA-N 1 2 288.347 1.220 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccoc3)C2)C1 ZINC000972259437 613571106 /nfs/dbraw/zinc/57/11/06/613571106.db2.gz PBWYEZJUDZHKRZ-INIZCTEOSA-N 1 2 288.347 1.220 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]ncc2F)C[C@H]1C ZINC000947697084 613588800 /nfs/dbraw/zinc/58/88/00/613588800.db2.gz AWSJHTFGGZXFPP-GHMZBOCLSA-N 1 2 278.331 1.155 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2[nH]ncc2F)C[C@H]1C ZINC000947697084 613588804 /nfs/dbraw/zinc/58/88/04/613588804.db2.gz AWSJHTFGGZXFPP-GHMZBOCLSA-N 1 2 278.331 1.155 20 30 CDEDLO C=CC(C)(C)NC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000891268124 617393552 /nfs/dbraw/zinc/39/35/52/617393552.db2.gz LTNRRAZLGPPWSB-STQMWFEESA-N 1 2 268.401 1.957 20 30 CDEDLO C=CC(C)(C)NC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000891268124 617393553 /nfs/dbraw/zinc/39/35/53/617393553.db2.gz LTNRRAZLGPPWSB-STQMWFEESA-N 1 2 268.401 1.957 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 ZINC000950960889 613655018 /nfs/dbraw/zinc/65/50/18/613655018.db2.gz IUBPQBZDNSCWFI-ZIAGYGMSSA-N 1 2 288.395 1.242 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2csc3nccn23)CC1 ZINC000957670088 613709985 /nfs/dbraw/zinc/70/99/85/613709985.db2.gz YEIVGYFYXVQIFT-UHFFFAOYSA-N 1 2 290.392 1.269 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCN(C)c3ccccc32)CC1 ZINC000948839921 613711290 /nfs/dbraw/zinc/71/12/90/613711290.db2.gz NVGYMDIUBZOTLW-MRXNPFEDSA-N 1 2 299.418 1.940 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2Cc3cccnc3C2)CC1 ZINC000957464866 613711804 /nfs/dbraw/zinc/71/18/04/613711804.db2.gz RVAGQOHSSBZJJQ-CQSZACIVSA-N 1 2 271.364 1.127 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C(C)(C)C)nn2C)CC1 ZINC000950014782 613714394 /nfs/dbraw/zinc/71/43/94/613714394.db2.gz BBFJNRZMDLLWRN-UHFFFAOYSA-N 1 2 290.411 1.661 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)nc3c2cnn3C)CC1 ZINC000952427303 613715120 /nfs/dbraw/zinc/71/51/20/613715120.db2.gz VQOBKDKWAKVNET-UHFFFAOYSA-N 1 2 299.378 1.221 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(OC)cc2F)CC1 ZINC000949141040 613716210 /nfs/dbraw/zinc/71/62/10/613716210.db2.gz FVRUHSNCSXYGAQ-UHFFFAOYSA-N 1 2 278.327 1.778 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccnn2C2CCCC2)CC1 ZINC000948590783 613717622 /nfs/dbraw/zinc/71/76/22/613717622.db2.gz SUALWDFEYXALIW-UHFFFAOYSA-N 1 2 288.395 1.942 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccn3ccccc23)CC1 ZINC000949237618 613717814 /nfs/dbraw/zinc/71/78/14/613717814.db2.gz HVVQYGNYTSUFFU-UHFFFAOYSA-N 1 2 269.348 1.883 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnn(CC(C)C)c2)CC1 ZINC000952426569 613718671 /nfs/dbraw/zinc/71/86/71/613718671.db2.gz DRGUOXWVZHQSJB-UHFFFAOYSA-N 1 2 276.384 1.483 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ncc3ccccn32)CC1 ZINC000949286079 613718985 /nfs/dbraw/zinc/71/89/85/613718985.db2.gz PLEJVZREUQYPJD-UHFFFAOYSA-N 1 2 270.336 1.278 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC000972512887 613723610 /nfs/dbraw/zinc/72/36/10/613723610.db2.gz AHAKCOJYHBDCDX-HWMZRRJGSA-N 1 2 290.407 1.522 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC000972512887 613723613 /nfs/dbraw/zinc/72/36/13/613723613.db2.gz AHAKCOJYHBDCDX-HWMZRRJGSA-N 1 2 290.407 1.522 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccccn3)C2)C1 ZINC000972217287 613724713 /nfs/dbraw/zinc/72/47/13/613724713.db2.gz CDTFKWFHYNGLHJ-INIZCTEOSA-N 1 2 287.363 1.185 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccccn3)C2)C1 ZINC000972217287 613724714 /nfs/dbraw/zinc/72/47/14/613724714.db2.gz CDTFKWFHYNGLHJ-INIZCTEOSA-N 1 2 287.363 1.185 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C)o3)C2)C1 ZINC000972250148 613726283 /nfs/dbraw/zinc/72/62/83/613726283.db2.gz YSDOWEVZJIRFDP-MRXNPFEDSA-N 1 2 290.363 1.691 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C)o3)C2)C1 ZINC000972250148 613726284 /nfs/dbraw/zinc/72/62/84/613726284.db2.gz YSDOWEVZJIRFDP-MRXNPFEDSA-N 1 2 290.363 1.691 20 30 CDEDLO C#CCSCC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000893175545 617439881 /nfs/dbraw/zinc/43/98/81/617439881.db2.gz DLLOBDLDEWWMRT-CQSZACIVSA-N 1 2 274.389 1.656 20 30 CDEDLO C#CCSCC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000893175545 617439885 /nfs/dbraw/zinc/43/98/85/617439885.db2.gz DLLOBDLDEWWMRT-CQSZACIVSA-N 1 2 274.389 1.656 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(OCC(N)=O)cc2)C1 ZINC000932159341 617962467 /nfs/dbraw/zinc/96/24/67/617962467.db2.gz YNICEQOPSZBZAY-CYBMUJFWSA-N 1 2 273.336 1.286 20 30 CDEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(OCC(N)=O)cc2)C1 ZINC000932159341 617962472 /nfs/dbraw/zinc/96/24/72/617962472.db2.gz YNICEQOPSZBZAY-CYBMUJFWSA-N 1 2 273.336 1.286 20 30 CDEDLO COc1cccc(/C=N/[C@@H](C)C[NH+]2CCOCC2)c1O ZINC000044009984 618286560 /nfs/dbraw/zinc/28/65/60/618286560.db2.gz BFUGQFBGUBXVHL-SEJMYLSOSA-N 1 2 278.352 1.540 20 30 CDEDLO C=C(CO)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000791306687 618342618 /nfs/dbraw/zinc/34/26/18/618342618.db2.gz SLMPIANPEIALPJ-UHFFFAOYSA-N 1 2 276.336 1.006 20 30 CDEDLO COC(=O)[C@@H]1[C@H](C[N@H+](C[C@H](C)C#N)C2CC2)C1(F)F ZINC000894084709 618349801 /nfs/dbraw/zinc/34/98/01/618349801.db2.gz NFARSCZXQAREQQ-MIMYLULJSA-N 1 2 272.295 1.665 20 30 CDEDLO COC(=O)[C@@H]1[C@H](C[N@@H+](C[C@H](C)C#N)C2CC2)C1(F)F ZINC000894084709 618349809 /nfs/dbraw/zinc/34/98/09/618349809.db2.gz NFARSCZXQAREQQ-MIMYLULJSA-N 1 2 272.295 1.665 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000894310656 618588035 /nfs/dbraw/zinc/58/80/35/618588035.db2.gz VHZIQPYAZMALQY-QWHCGFSZSA-N 1 2 272.352 1.395 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897931504 621209632 /nfs/dbraw/zinc/20/96/32/621209632.db2.gz SPLPKLIEIJAVJL-BXUZGUMPSA-N 1 2 292.383 1.233 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897931504 621209638 /nfs/dbraw/zinc/20/96/38/621209638.db2.gz SPLPKLIEIJAVJL-BXUZGUMPSA-N 1 2 292.383 1.233 20 30 CDEDLO C=CCCC(=O)COC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000923888837 621626314 /nfs/dbraw/zinc/62/63/14/621626314.db2.gz GSBOQKNJRUYCBJ-CYBMUJFWSA-N 1 2 253.342 1.938 20 30 CDEDLO C=CCCC(=O)COC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000923888837 621626315 /nfs/dbraw/zinc/62/63/15/621626315.db2.gz GSBOQKNJRUYCBJ-CYBMUJFWSA-N 1 2 253.342 1.938 20 30 CDEDLO CCn1c[nH+]cc1/C=C1/CCc2c(cnn2C)C1=O ZINC000901458018 624276298 /nfs/dbraw/zinc/27/62/98/624276298.db2.gz VUEUUNFZPUKDLS-POHAHGRESA-N 1 2 256.309 1.849 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000746457619 625777019 /nfs/dbraw/zinc/77/70/19/625777019.db2.gz MZCIFQQXJUMARC-UHFFFAOYSA-N 1 2 296.273 1.902 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000746457619 625777027 /nfs/dbraw/zinc/77/70/27/625777027.db2.gz MZCIFQQXJUMARC-UHFFFAOYSA-N 1 2 296.273 1.902 20 30 CDEDLO C#CC[N@H+](CN1C(=O)[C@]2(CCCO2)[C@H]1C1CC1)C(C)C ZINC000905747715 626944045 /nfs/dbraw/zinc/94/40/45/626944045.db2.gz BAFRQWSIEXBQHO-ZBFHGGJFSA-N 1 2 276.380 1.458 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)[C@]2(CCCO2)[C@H]1C1CC1)C(C)C ZINC000905747715 626944047 /nfs/dbraw/zinc/94/40/47/626944047.db2.gz BAFRQWSIEXBQHO-ZBFHGGJFSA-N 1 2 276.380 1.458 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1cn(-c2ccc(C)cc2)nn1 ZINC000906317652 627173314 /nfs/dbraw/zinc/17/33/14/627173314.db2.gz PKKLNYSPYSMRLD-GFCCVEGCSA-N 1 2 258.325 1.212 20 30 CDEDLO C#CCN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C(C)C ZINC000921629325 633107328 /nfs/dbraw/zinc/10/73/28/633107328.db2.gz LUTIPNRMHNIRNK-CQSZACIVSA-N 1 2 286.379 1.714 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C)o3)C[C@H]21 ZINC001114197361 1162447747 /nfs/dbraw/zinc/44/77/47/1162447747.db2.gz XOHYPIGJGRRZHW-VIKVFOODSA-N 1 2 287.363 1.333 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(C)o3)C[C@H]21 ZINC001114197361 1162447748 /nfs/dbraw/zinc/44/77/48/1162447748.db2.gz XOHYPIGJGRRZHW-VIKVFOODSA-N 1 2 287.363 1.333 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C1(COC)CC1 ZINC001409590819 1160859879 /nfs/dbraw/zinc/85/98/79/1160859879.db2.gz RPZHOQNUPAUUGS-NSHDSACASA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C1(COC)CC1 ZINC001409590819 1160859887 /nfs/dbraw/zinc/85/98/87/1160859887.db2.gz RPZHOQNUPAUUGS-NSHDSACASA-N 1 2 274.792 1.602 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](OC)[C@H](C)CC)CC1 ZINC001113045128 1162085393 /nfs/dbraw/zinc/08/53/93/1162085393.db2.gz ZQWKFNZWWLCIKS-OLZOCXBDSA-N 1 2 254.374 1.378 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1ncc(Cl)nc1C#N ZINC001157459590 1162098329 /nfs/dbraw/zinc/09/83/29/1162098329.db2.gz BOMKMUJHLUDRRU-UHFFFAOYSA-N 1 2 276.731 1.725 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2ncc(CC)o2)cc1 ZINC001132215856 1163199762 /nfs/dbraw/zinc/19/97/62/1163199762.db2.gz OSZRVZXVXBZDIE-UHFFFAOYSA-N 1 2 297.358 1.738 20 30 CDEDLO C#C[C@H]([NH2+]C1CC[NH+](CCCC(=O)[O-])CC1)[C@@H]1CCCO1 ZINC001609057631 1164748680 /nfs/dbraw/zinc/74/86/80/1164748680.db2.gz AYLIUINQKKPUDK-GJZGRUSLSA-N 1 2 294.395 1.086 20 30 CDEDLO C#CCCCC(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000870134446 1165142367 /nfs/dbraw/zinc/14/23/67/1165142367.db2.gz OJSZWWJVHNVUDD-UHFFFAOYSA-N 1 2 286.375 1.840 20 30 CDEDLO N#Cc1c[nH]nc1NC(=O)c1cccc2[nH+]ccn21 ZINC001638659434 1166863026 /nfs/dbraw/zinc/86/30/26/1166863026.db2.gz ARTUPXKWFRAQBY-UHFFFAOYSA-N 1 2 252.237 1.181 20 30 CDEDLO N#CCNc1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001155531748 1167219199 /nfs/dbraw/zinc/21/91/99/1167219199.db2.gz YVDNEFLXDNMEPI-UHFFFAOYSA-N 1 2 279.347 1.970 20 30 CDEDLO N#CCNc1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001155531748 1167219203 /nfs/dbraw/zinc/21/92/03/1167219203.db2.gz YVDNEFLXDNMEPI-UHFFFAOYSA-N 1 2 279.347 1.970 20 30 CDEDLO CO[C@@H]1C[NH2+][C@@](C)(C(=O)Oc2cccc(OCC#N)c2)C1 ZINC001573960543 1170842672 /nfs/dbraw/zinc/84/26/72/1170842672.db2.gz JQWAQZFNDCUJPS-DZGCQCFKSA-N 1 2 290.319 1.261 20 30 CDEDLO Cc1cc(C(=O)N=S2(=O)CC[NH2+]CC2)cc(C)c1C#N ZINC001574127180 1170891077 /nfs/dbraw/zinc/89/10/77/1170891077.db2.gz KJBOCTYPTJPJPC-UHFFFAOYSA-N 1 2 291.376 1.387 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2c[nH]nn2)C1 ZINC001575072698 1171103851 /nfs/dbraw/zinc/10/38/51/1171103851.db2.gz LBRXWPRYUMCRPN-LALPHHSUSA-N 1 2 291.399 1.391 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cn[nH]n2)C1 ZINC001575072698 1171103854 /nfs/dbraw/zinc/10/38/54/1171103854.db2.gz LBRXWPRYUMCRPN-LALPHHSUSA-N 1 2 291.399 1.391 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)[C@@H](CC#N)c1ccccc1 ZINC001595740859 1174214155 /nfs/dbraw/zinc/21/41/55/1174214155.db2.gz FVTMUVBMFKOTKA-AWEZNQCLSA-N 1 2 268.320 1.734 20 30 CDEDLO C[C@H]1CCCC[C@]1(CNCC#N)NC(=O)Cn1cc[nH+]c1 ZINC001753538376 1185249901 /nfs/dbraw/zinc/24/99/01/1185249901.db2.gz ZIJAFHWZNCYZCG-DZGCQCFKSA-N 1 2 289.383 1.061 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1(C)CC(F)(F)C1 ZINC001754501190 1185646843 /nfs/dbraw/zinc/64/68/43/1185646843.db2.gz VDNLBCFCTCZGBL-SNVBAGLBSA-N 1 2 256.296 1.246 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1(C)CC(F)(F)C1 ZINC001754501190 1185646847 /nfs/dbraw/zinc/64/68/47/1185646847.db2.gz VDNLBCFCTCZGBL-SNVBAGLBSA-N 1 2 256.296 1.246 20 30 CDEDLO C=C(C)CCC(=O)NC[C@@H]1COCC[N@H+]1C[C@@H](C)OC ZINC001754967114 1185773548 /nfs/dbraw/zinc/77/35/48/1185773548.db2.gz AYRSMHJUQMGJBD-ZIAGYGMSSA-N 1 2 284.400 1.195 20 30 CDEDLO C=C(C)CCC(=O)NC[C@@H]1COCC[N@@H+]1C[C@@H](C)OC ZINC001754967114 1185773550 /nfs/dbraw/zinc/77/35/50/1185773550.db2.gz AYRSMHJUQMGJBD-ZIAGYGMSSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CC[NH+]1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001165033680 721865051 /nfs/dbraw/zinc/86/50/51/721865051.db2.gz VHAPYDGWGDPFEX-UHFFFAOYSA-N 1 2 266.276 1.437 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2snnc2CC)CC[C@H]1C ZINC001071662595 828835529 /nfs/dbraw/zinc/83/55/29/828835529.db2.gz DENKIIMIIQNINY-GHMZBOCLSA-N 1 2 292.408 1.316 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2snnc2CC)CC[C@H]1C ZINC001071662595 828835530 /nfs/dbraw/zinc/83/55/30/828835530.db2.gz DENKIIMIIQNINY-GHMZBOCLSA-N 1 2 292.408 1.316 20 30 CDEDLO c1ccc(C[N@@H+]2CCC(=NN[C@H]3CCOC3)C2)cc1 ZINC000788457468 828841212 /nfs/dbraw/zinc/84/12/12/828841212.db2.gz SNABTGHADAMPCN-HNNXBMFYSA-N 1 2 259.353 1.627 20 30 CDEDLO c1ccc(C[N@H+]2CCC(=NN[C@H]3CCOC3)C2)cc1 ZINC000788457468 828841214 /nfs/dbraw/zinc/84/12/14/828841214.db2.gz SNABTGHADAMPCN-HNNXBMFYSA-N 1 2 259.353 1.627 20 30 CDEDLO N#CCN1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028632558 828824431 /nfs/dbraw/zinc/82/44/31/828824431.db2.gz MFUVHXUKSBKBHQ-LLVKDONJSA-N 1 2 283.335 1.138 20 30 CDEDLO CC(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001031503153 828830106 /nfs/dbraw/zinc/83/01/06/828830106.db2.gz YKPDCLYXIKYAPV-UHFFFAOYSA-N 1 2 276.767 1.759 20 30 CDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)C1CC1 ZINC001031508025 832787130 /nfs/dbraw/zinc/78/71/30/832787130.db2.gz AZOMGCIBCPFFAJ-UHFFFAOYSA-N 1 2 286.350 1.635 20 30 CDEDLO N#CC1(C[C@H](O)C[N@@H+]2CCO[C@H](C(=O)C3CC3)C2)CCC1 ZINC000886141169 833024961 /nfs/dbraw/zinc/02/49/61/833024961.db2.gz YWZBVFHYTCNOOZ-KBPBESRZSA-N 1 2 292.379 1.111 20 30 CDEDLO N#CC1(C[C@H](O)C[N@H+]2CCO[C@H](C(=O)C3CC3)C2)CCC1 ZINC000886141169 833024973 /nfs/dbraw/zinc/02/49/73/833024973.db2.gz YWZBVFHYTCNOOZ-KBPBESRZSA-N 1 2 292.379 1.111 20 30 CDEDLO C#CC1CC[NH+]([C@@H]2CC(=O)N(CC(F)(F)F)C2=O)CC1 ZINC000843267611 833034227 /nfs/dbraw/zinc/03/42/27/833034227.db2.gz BGECGLYQUYZVFF-SNVBAGLBSA-N 1 2 288.269 1.021 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)C2(SC)CC2)CC1 ZINC000788764380 833049046 /nfs/dbraw/zinc/04/90/46/833049046.db2.gz CNMHAZDEPBHFPU-UHFFFAOYSA-N 1 2 252.383 1.050 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C1CC(C)C1 ZINC001050865601 834040743 /nfs/dbraw/zinc/04/07/43/834040743.db2.gz MIWUBLKJNLEFPT-JXQTWKCFSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C1CC(C)C1 ZINC001050865601 834040757 /nfs/dbraw/zinc/04/07/57/834040757.db2.gz MIWUBLKJNLEFPT-JXQTWKCFSA-N 1 2 266.385 1.426 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncccc1OC(C)C ZINC001038976447 833075131 /nfs/dbraw/zinc/07/51/31/833075131.db2.gz OXLURJKGOOZKIY-CYBMUJFWSA-N 1 2 287.363 1.306 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncccc1OC(C)C ZINC001038976447 833075133 /nfs/dbraw/zinc/07/51/33/833075133.db2.gz OXLURJKGOOZKIY-CYBMUJFWSA-N 1 2 287.363 1.306 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001038467522 833078971 /nfs/dbraw/zinc/07/89/71/833078971.db2.gz CYTFISKTKKTEFR-OAHLLOKOSA-N 1 2 283.375 1.786 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001038467522 833078984 /nfs/dbraw/zinc/07/89/84/833078984.db2.gz CYTFISKTKKTEFR-OAHLLOKOSA-N 1 2 283.375 1.786 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)C(F)F)C2)s1 ZINC001006513561 833079293 /nfs/dbraw/zinc/07/92/93/833079293.db2.gz NEQCRBNEJPLGLG-VIFPVBQESA-N 1 2 299.346 1.965 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)C(F)F)C2)s1 ZINC001006513561 833079298 /nfs/dbraw/zinc/07/92/98/833079298.db2.gz NEQCRBNEJPLGLG-VIFPVBQESA-N 1 2 299.346 1.965 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1sccc1C ZINC001038017637 834099414 /nfs/dbraw/zinc/09/94/14/834099414.db2.gz RLDOGSGICPWLTA-GFCCVEGCSA-N 1 2 262.378 1.884 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1sccc1C ZINC001038017637 834099423 /nfs/dbraw/zinc/09/94/23/834099423.db2.gz RLDOGSGICPWLTA-GFCCVEGCSA-N 1 2 262.378 1.884 20 30 CDEDLO C#CCC[C@H](O)CNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000822680989 833264781 /nfs/dbraw/zinc/26/47/81/833264781.db2.gz WZSXEMUAPRAUAM-ZDUSSCGKSA-N 1 2 299.330 1.082 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(CC)n2)C1 ZINC001030452130 833279603 /nfs/dbraw/zinc/27/96/03/833279603.db2.gz MIXLMPNSRGQUAR-UHFFFAOYSA-N 1 2 257.337 1.081 20 30 CDEDLO Cc1cc(C[N@@H+](C)[C@H]2CCN(C(=O)C#CC3CC3)C2)no1 ZINC000971512516 833281977 /nfs/dbraw/zinc/28/19/77/833281977.db2.gz DAEUVPOEOLPBIH-HNNXBMFYSA-N 1 2 287.363 1.429 20 30 CDEDLO Cc1cc(C[N@H+](C)[C@H]2CCN(C(=O)C#CC3CC3)C2)no1 ZINC000971512516 833281980 /nfs/dbraw/zinc/28/19/80/833281980.db2.gz DAEUVPOEOLPBIH-HNNXBMFYSA-N 1 2 287.363 1.429 20 30 CDEDLO Cc1conc1C[N@@H+](C)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971510073 833287812 /nfs/dbraw/zinc/28/78/12/833287812.db2.gz ATZWGJLMYFJPHC-AWEZNQCLSA-N 1 2 287.363 1.429 20 30 CDEDLO Cc1conc1C[N@H+](C)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971510073 833287816 /nfs/dbraw/zinc/28/78/16/833287816.db2.gz ATZWGJLMYFJPHC-AWEZNQCLSA-N 1 2 287.363 1.429 20 30 CDEDLO CCC[N@H+](Cc1csc(C#N)c1)[C@@H]1CC(=O)N(C)C1=O ZINC000894270176 828842084 /nfs/dbraw/zinc/84/20/84/828842084.db2.gz YSFWDILVURXXCJ-GFCCVEGCSA-N 1 2 291.376 1.589 20 30 CDEDLO CCC[N@@H+](Cc1csc(C#N)c1)[C@@H]1CC(=O)N(C)C1=O ZINC000894270176 828842085 /nfs/dbraw/zinc/84/20/85/828842085.db2.gz YSFWDILVURXXCJ-GFCCVEGCSA-N 1 2 291.376 1.589 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000779089008 828843784 /nfs/dbraw/zinc/84/37/84/828843784.db2.gz ZBJXNEPEKVFQOI-WFASDCNBSA-N 1 2 286.379 1.890 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000779089008 828843787 /nfs/dbraw/zinc/84/37/87/828843787.db2.gz ZBJXNEPEKVFQOI-WFASDCNBSA-N 1 2 286.379 1.890 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C)c(C)o2)CC1 ZINC000135231353 828846350 /nfs/dbraw/zinc/84/63/50/828846350.db2.gz HJBHISHEFSTWPW-UHFFFAOYSA-N 1 2 260.337 1.678 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)n2cncn2)C1 ZINC001007155648 828857420 /nfs/dbraw/zinc/85/74/20/828857420.db2.gz KHFSRWXWZCWVPR-VXGBXAGGSA-N 1 2 297.790 1.172 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)n2cncn2)C1 ZINC001007155648 828857421 /nfs/dbraw/zinc/85/74/21/828857421.db2.gz KHFSRWXWZCWVPR-VXGBXAGGSA-N 1 2 297.790 1.172 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NCC[C@H](O)COC ZINC000853465906 828864515 /nfs/dbraw/zinc/86/45/15/828864515.db2.gz ZTNVLRHEBJSLGJ-ZDUSSCGKSA-N 1 2 278.352 1.683 20 30 CDEDLO C=CCN(CC(=O)OCC)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000844359638 828864956 /nfs/dbraw/zinc/86/49/56/828864956.db2.gz OIGAPLNSJZODST-LBPRGKRZSA-N 1 2 279.340 1.412 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCCc3c[nH]nc32)C1 ZINC001030315730 828866143 /nfs/dbraw/zinc/86/61/43/828866143.db2.gz JBIBANCGLHUUTG-ZDUSSCGKSA-N 1 2 274.368 1.206 20 30 CDEDLO C[C@@H](c1cnccn1)[N@@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC000981126407 828877843 /nfs/dbraw/zinc/87/78/43/828877843.db2.gz UHCNLKLUBVPBEG-AWEZNQCLSA-N 1 2 298.390 1.485 20 30 CDEDLO C[C@@H](c1cnccn1)[N@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC000981126407 828877845 /nfs/dbraw/zinc/87/78/45/828877845.db2.gz UHCNLKLUBVPBEG-AWEZNQCLSA-N 1 2 298.390 1.485 20 30 CDEDLO C#CCN(C1CCCCC1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000881824595 828881896 /nfs/dbraw/zinc/88/18/96/828881896.db2.gz NZQZZSJNVPLXOF-UHFFFAOYSA-N 1 2 295.408 1.481 20 30 CDEDLO CCN(C)c1ccc(C=[NH+]Nc2cnnn2C)cn1 ZINC000814983258 828882026 /nfs/dbraw/zinc/88/20/26/828882026.db2.gz FGMFGUFFYBFBBC-UHFFFAOYSA-N 1 2 259.317 1.112 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)CCCC(=O)C2CC2)C1 ZINC000923557057 828885549 /nfs/dbraw/zinc/88/55/49/828885549.db2.gz JPQYJGOUSCUIGE-CQSZACIVSA-N 1 2 276.380 1.350 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCCC(=O)C2CC2)C1 ZINC000923557057 828885550 /nfs/dbraw/zinc/88/55/50/828885550.db2.gz JPQYJGOUSCUIGE-CQSZACIVSA-N 1 2 276.380 1.350 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC001030330364 828886269 /nfs/dbraw/zinc/88/62/69/828886269.db2.gz LNIRHBUBCXLLJQ-UHFFFAOYSA-N 1 2 285.391 1.816 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccc3c(c2)COC3)C1 ZINC001044229478 828888237 /nfs/dbraw/zinc/88/82/37/828888237.db2.gz QZBLHVOBULHQCD-UHFFFAOYSA-N 1 2 286.375 1.588 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000347417190 828890861 /nfs/dbraw/zinc/89/08/61/828890861.db2.gz DLKKABJBJFYNLP-LLVKDONJSA-N 1 2 283.335 1.640 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2CC(C)C2)C1 ZINC001031608043 828993706 /nfs/dbraw/zinc/99/37/06/828993706.db2.gz DTZFYKNEWNMHAV-UHFFFAOYSA-N 1 2 256.777 1.833 20 30 CDEDLO Cc1nc2c(c(=O)[nH]1)C[N@H+](CCOc1ccccc1C#N)C2 ZINC000931321271 828995312 /nfs/dbraw/zinc/99/53/12/828995312.db2.gz NRADEDOJYPIDOW-UHFFFAOYSA-N 1 2 296.330 1.757 20 30 CDEDLO Cc1nc2c(c(=O)[nH]1)C[N@@H+](CCOc1ccccc1C#N)C2 ZINC000931321271 828995317 /nfs/dbraw/zinc/99/53/17/828995317.db2.gz NRADEDOJYPIDOW-UHFFFAOYSA-N 1 2 296.330 1.757 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cnc(C)[nH]2)CC1 ZINC001000506637 829001736 /nfs/dbraw/zinc/00/17/36/829001736.db2.gz OFMFLLUZHRFRJL-UHFFFAOYSA-N 1 2 294.786 1.833 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cnc(C)[nH]2)CC1 ZINC001000506637 829001745 /nfs/dbraw/zinc/00/17/45/829001745.db2.gz OFMFLLUZHRFRJL-UHFFFAOYSA-N 1 2 294.786 1.833 20 30 CDEDLO C#CCN1CC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001043487091 829033698 /nfs/dbraw/zinc/03/36/98/829033698.db2.gz CZSRXTDKXDGOJA-UHFFFAOYSA-N 1 2 294.358 1.262 20 30 CDEDLO N#CCN[C@H]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001020871957 829040752 /nfs/dbraw/zinc/04/07/52/829040752.db2.gz BAQUORRJQIESCO-HDJSIYSDSA-N 1 2 295.346 1.246 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)c2ccccc2F)nn1 ZINC000881406565 829049889 /nfs/dbraw/zinc/04/98/89/829049889.db2.gz JSMNGNGUKLTWSU-OAHLLOKOSA-N 1 2 288.326 1.264 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1nccs1 ZINC001038835575 829071031 /nfs/dbraw/zinc/07/10/31/829071031.db2.gz LAWMMNYCILNSLQ-JTQLQIEISA-N 1 2 251.355 1.523 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1nccs1 ZINC001038835575 829071043 /nfs/dbraw/zinc/07/10/43/829071043.db2.gz LAWMMNYCILNSLQ-JTQLQIEISA-N 1 2 251.355 1.523 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccc(Cl)nc2)nn1 ZINC000818224636 829090314 /nfs/dbraw/zinc/09/03/14/829090314.db2.gz NTKFIJGQFWQHJV-UHFFFAOYSA-N 1 2 263.732 1.802 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1coc(C)c1)CO2 ZINC001053788969 829094046 /nfs/dbraw/zinc/09/40/46/829094046.db2.gz ZDUHZMMIYAAKHM-AWEZNQCLSA-N 1 2 288.347 1.184 20 30 CDEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C3(C)CC3)C2)CC1 ZINC001052030541 833364496 /nfs/dbraw/zinc/36/44/96/833364496.db2.gz QFJDITJPVUDBEW-HNNXBMFYSA-N 1 2 291.439 1.581 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]cnc2CC)C1 ZINC001016132176 833379651 /nfs/dbraw/zinc/37/96/51/833379651.db2.gz DIZKXLNZYMIRQG-JTQLQIEISA-N 1 2 282.775 1.529 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]cnc2CC)C1 ZINC001016132176 833379653 /nfs/dbraw/zinc/37/96/53/833379653.db2.gz DIZKXLNZYMIRQG-JTQLQIEISA-N 1 2 282.775 1.529 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cccc(C#N)c1 ZINC000874700418 829302895 /nfs/dbraw/zinc/30/28/95/829302895.db2.gz ZVFOZTQSVQZGAA-OAHLLOKOSA-N 1 2 287.363 1.399 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cccc(C#N)c1 ZINC000874700418 829302906 /nfs/dbraw/zinc/30/29/06/829302906.db2.gz ZVFOZTQSVQZGAA-OAHLLOKOSA-N 1 2 287.363 1.399 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)C1CCC1)CO2 ZINC001053844261 829310201 /nfs/dbraw/zinc/31/02/01/829310201.db2.gz FAZFARHMELJHSR-UKRRQHHQSA-N 1 2 290.407 1.405 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(C(C)C)nc1C ZINC001038781608 829316083 /nfs/dbraw/zinc/31/60/83/829316083.db2.gz MDYMBYCCNWXNNV-CYBMUJFWSA-N 1 2 286.379 1.346 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(C(C)C)nc1C ZINC001038781608 829316095 /nfs/dbraw/zinc/31/60/95/829316095.db2.gz MDYMBYCCNWXNNV-CYBMUJFWSA-N 1 2 286.379 1.346 20 30 CDEDLO CN(C[C@H](O)c1cccc(C#N)c1)c1cc(CO)cc[nH+]1 ZINC000882524457 829342336 /nfs/dbraw/zinc/34/23/36/829342336.db2.gz PZJZXBLEQFPXLF-HNNXBMFYSA-N 1 2 283.331 1.615 20 30 CDEDLO Cc1nc(C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)co1 ZINC001075780358 829348991 /nfs/dbraw/zinc/34/89/91/829348991.db2.gz JBVYLJPDRKWYTF-GOEBONIOSA-N 1 2 299.374 1.429 20 30 CDEDLO Cc1nc(C[N@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)co1 ZINC001075780358 829349002 /nfs/dbraw/zinc/34/90/02/829349002.db2.gz JBVYLJPDRKWYTF-GOEBONIOSA-N 1 2 299.374 1.429 20 30 CDEDLO Cn1c[nH+]cc1Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000842650450 829353060 /nfs/dbraw/zinc/35/30/60/829353060.db2.gz WXRMEQSPKSVVGL-UHFFFAOYSA-N 1 2 268.320 1.381 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCc2ncsc2C1 ZINC000783844497 829394885 /nfs/dbraw/zinc/39/48/85/829394885.db2.gz JPARRDXGXXOCBV-LBPRGKRZSA-N 1 2 275.377 1.125 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCc2ncsc2C1 ZINC000783844497 829394894 /nfs/dbraw/zinc/39/48/94/829394894.db2.gz JPARRDXGXXOCBV-LBPRGKRZSA-N 1 2 275.377 1.125 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c(C)n(C)nc2Cl)C1 ZINC001044239145 829509242 /nfs/dbraw/zinc/50/92/42/829509242.db2.gz RGTWCEXJJQNWKS-UHFFFAOYSA-N 1 2 296.802 1.714 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCOC2(C[NH+](C[C@H](C)OC)C2)C1 ZINC001053373238 833418598 /nfs/dbraw/zinc/41/85/98/833418598.db2.gz NAHXMLWUZVHPPY-ZDUSSCGKSA-N 1 2 296.411 1.147 20 30 CDEDLO C#CCC(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000185484305 829530784 /nfs/dbraw/zinc/53/07/84/829530784.db2.gz JLIOOQTYMDTXAY-STQMWFEESA-N 1 2 266.385 1.261 20 30 CDEDLO N#CCOc1ccc(CC(=O)OCCCn2cc[nH+]c2)cc1 ZINC000783624306 829603778 /nfs/dbraw/zinc/60/37/78/829603778.db2.gz ZMJFMLLTZXXGHW-UHFFFAOYSA-N 1 2 299.330 1.961 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C)C[C@@H]1CC ZINC000884143731 829610585 /nfs/dbraw/zinc/61/05/85/829610585.db2.gz PNUQHAVOGREERS-WOPDTQHZSA-N 1 2 268.357 1.080 20 30 CDEDLO C[C@](C#N)(NC(=O)Cc1[nH]cc[nH+]1)C1CCCCC1 ZINC000827855476 829809801 /nfs/dbraw/zinc/80/98/01/829809801.db2.gz DRTBLXMHZRDSEP-CQSZACIVSA-N 1 2 260.341 1.931 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)OCCc1c[nH+]cn1C ZINC000816030211 829834529 /nfs/dbraw/zinc/83/45/29/829834529.db2.gz HHPNPHFUIKCXED-UHFFFAOYSA-N 1 2 270.292 1.395 20 30 CDEDLO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001034522957 829853378 /nfs/dbraw/zinc/85/33/78/829853378.db2.gz XTJDWTIDIJBGOI-ZDUSSCGKSA-N 1 2 299.378 1.728 20 30 CDEDLO C=CC[N@H+]1CCCC[C@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001034522957 829853379 /nfs/dbraw/zinc/85/33/79/829853379.db2.gz XTJDWTIDIJBGOI-ZDUSSCGKSA-N 1 2 299.378 1.728 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnco1 ZINC001051049663 829854304 /nfs/dbraw/zinc/85/43/04/829854304.db2.gz QUTAUUKJECXCLG-GFCCVEGCSA-N 1 2 279.340 1.071 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cnco1 ZINC001051049663 829854305 /nfs/dbraw/zinc/85/43/05/829854305.db2.gz QUTAUUKJECXCLG-GFCCVEGCSA-N 1 2 279.340 1.071 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001016443674 829862176 /nfs/dbraw/zinc/86/21/76/829862176.db2.gz OPDJBQBYGUJTKA-YPMHNXCESA-N 1 2 296.802 1.467 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001016443674 829862181 /nfs/dbraw/zinc/86/21/81/829862181.db2.gz OPDJBQBYGUJTKA-YPMHNXCESA-N 1 2 296.802 1.467 20 30 CDEDLO C[C@@H](C#N)OCCO[NH+]=C(N)Cc1cccs1 ZINC000802728538 829872938 /nfs/dbraw/zinc/87/29/38/829872938.db2.gz FMWRKDOERZZZPR-VIFPVBQESA-N 1 2 253.327 1.718 20 30 CDEDLO C#CCOCC[N@@H+](CCO)Cc1cccnc1Cl ZINC000852005022 829909692 /nfs/dbraw/zinc/90/96/92/829909692.db2.gz VZCYAPKHRINSDP-UHFFFAOYSA-N 1 2 268.744 1.179 20 30 CDEDLO C#CCOCC[N@H+](CCO)Cc1cccnc1Cl ZINC000852005022 829909701 /nfs/dbraw/zinc/90/97/01/829909701.db2.gz VZCYAPKHRINSDP-UHFFFAOYSA-N 1 2 268.744 1.179 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(C(F)(F)F)n2)C1 ZINC001031135179 829934873 /nfs/dbraw/zinc/93/48/73/829934873.db2.gz GYDLXTHXAWCGMB-UHFFFAOYSA-N 1 2 297.280 1.538 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001046827732 833587533 /nfs/dbraw/zinc/58/75/33/833587533.db2.gz AEXARKNTMAWBNN-MRXNPFEDSA-N 1 2 297.362 1.175 20 30 CDEDLO CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001046827732 833587545 /nfs/dbraw/zinc/58/75/45/833587545.db2.gz AEXARKNTMAWBNN-MRXNPFEDSA-N 1 2 297.362 1.175 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccnnc2)C1 ZINC001046650185 829975510 /nfs/dbraw/zinc/97/55/10/829975510.db2.gz DLLIRVDHCTZMNQ-ZDUSSCGKSA-N 1 2 280.759 1.423 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccnnc2)C1 ZINC001046650185 829975528 /nfs/dbraw/zinc/97/55/28/829975528.db2.gz DLLIRVDHCTZMNQ-ZDUSSCGKSA-N 1 2 280.759 1.423 20 30 CDEDLO CC(C)CN(CCC#N)C(=O)CCc1c[nH+]cn1C ZINC000793247280 830003053 /nfs/dbraw/zinc/00/30/53/830003053.db2.gz WQWYARVQSJZLIJ-UHFFFAOYSA-N 1 2 262.357 1.751 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000932165018 830011048 /nfs/dbraw/zinc/01/10/48/830011048.db2.gz GFRQIRZSOKOELI-CYBMUJFWSA-N 1 2 297.358 1.908 20 30 CDEDLO N#C[C@H]1CCC[N@H+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000932165018 830011056 /nfs/dbraw/zinc/01/10/56/830011056.db2.gz GFRQIRZSOKOELI-CYBMUJFWSA-N 1 2 297.358 1.908 20 30 CDEDLO C[C@@H](CC(=O)N1CCN(C2CC2)[C@H](C#N)C1)n1cc[nH+]c1 ZINC000844387881 830065225 /nfs/dbraw/zinc/06/52/25/830065225.db2.gz XPPNTDQHBULOHE-GXTWGEPZSA-N 1 2 287.367 1.033 20 30 CDEDLO C#CCC[N@H+]1CC[C@H](N(C)C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC001033452556 830073751 /nfs/dbraw/zinc/07/37/51/830073751.db2.gz IJXGLKVYCFMTPP-ZDUSSCGKSA-N 1 2 288.395 1.703 20 30 CDEDLO C#CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC001033452556 830073759 /nfs/dbraw/zinc/07/37/59/830073759.db2.gz IJXGLKVYCFMTPP-ZDUSSCGKSA-N 1 2 288.395 1.703 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001035458517 830078910 /nfs/dbraw/zinc/07/89/10/830078910.db2.gz DKPATHHKYCWLSF-QKPAOTATSA-N 1 2 292.423 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001035458517 830078914 /nfs/dbraw/zinc/07/89/14/830078914.db2.gz DKPATHHKYCWLSF-QKPAOTATSA-N 1 2 292.423 1.816 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccnc2C)C1 ZINC001015635320 830094128 /nfs/dbraw/zinc/09/41/28/830094128.db2.gz XZFGSCSHUZLFEA-GFCCVEGCSA-N 1 2 279.771 1.947 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccnc2C)C1 ZINC001015635320 830094137 /nfs/dbraw/zinc/09/41/37/830094137.db2.gz XZFGSCSHUZLFEA-GFCCVEGCSA-N 1 2 279.771 1.947 20 30 CDEDLO C=CCC[NH+]1CC(N(C)C(=O)c2c[nH]c(C)cc2=O)C1 ZINC001044135281 830101180 /nfs/dbraw/zinc/10/11/80/830101180.db2.gz KHOPPMKBMSXPDQ-UHFFFAOYSA-N 1 2 275.352 1.016 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncnc1C ZINC001017382287 830232317 /nfs/dbraw/zinc/23/23/17/830232317.db2.gz XLCMTJGUUAOPIK-BETUJISGSA-N 1 2 272.352 1.260 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncnc1C ZINC001017382287 830232325 /nfs/dbraw/zinc/23/23/25/830232325.db2.gz XLCMTJGUUAOPIK-BETUJISGSA-N 1 2 272.352 1.260 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1csc(CC(C)C)n1 ZINC001039075941 830257037 /nfs/dbraw/zinc/25/70/37/830257037.db2.gz DSZQAONZISSRMI-GFCCVEGCSA-N 1 2 291.420 1.779 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1csc(CC(C)C)n1 ZINC001039075941 830257046 /nfs/dbraw/zinc/25/70/46/830257046.db2.gz DSZQAONZISSRMI-GFCCVEGCSA-N 1 2 291.420 1.779 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCOCC1 ZINC001050895170 830268202 /nfs/dbraw/zinc/26/82/02/830268202.db2.gz YWLJIIQFXCSQTE-GJZGRUSLSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCOCC1 ZINC001050895170 830268211 /nfs/dbraw/zinc/26/82/11/830268211.db2.gz YWLJIIQFXCSQTE-GJZGRUSLSA-N 1 2 296.411 1.196 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ocnc1C ZINC001027812054 830280225 /nfs/dbraw/zinc/28/02/25/830280225.db2.gz CTCZHWOSAYUYFJ-LLVKDONJSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ocnc1C ZINC001027812054 830280233 /nfs/dbraw/zinc/28/02/33/830280233.db2.gz CTCZHWOSAYUYFJ-LLVKDONJSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(=O)[nH]n1 ZINC001027730668 830298143 /nfs/dbraw/zinc/29/81/43/830298143.db2.gz VYQMJJGPZKVXOR-SNVBAGLBSA-N 1 2 296.758 1.129 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(=O)[nH]n1 ZINC001027730668 830298150 /nfs/dbraw/zinc/29/81/50/830298150.db2.gz VYQMJJGPZKVXOR-SNVBAGLBSA-N 1 2 296.758 1.129 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)C1CCCC1 ZINC001018219635 830300602 /nfs/dbraw/zinc/30/06/02/830300602.db2.gz PQIBNDSAXZODHS-OWCLPIDISA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)C1CCCC1 ZINC001018219635 830300609 /nfs/dbraw/zinc/30/06/09/830300609.db2.gz PQIBNDSAXZODHS-OWCLPIDISA-N 1 2 290.407 1.500 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c[nH]nc2CCC)C1 ZINC001043194995 830305089 /nfs/dbraw/zinc/30/50/89/830305089.db2.gz TVJYIQMMBGUTHV-UHFFFAOYSA-N 1 2 274.368 1.142 20 30 CDEDLO CO[C@H](C)C[N@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000795751078 830344796 /nfs/dbraw/zinc/34/47/96/830344796.db2.gz VMCDPBZDNGMDIF-LLVKDONJSA-N 1 2 275.352 1.133 20 30 CDEDLO CO[C@H](C)C[N@@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000795751078 830344799 /nfs/dbraw/zinc/34/47/99/830344799.db2.gz VMCDPBZDNGMDIF-LLVKDONJSA-N 1 2 275.352 1.133 20 30 CDEDLO Cc1nc(N[C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)cc[nH+]1 ZINC001059597842 830368629 /nfs/dbraw/zinc/36/86/29/830368629.db2.gz GIWGWZNYZOSHGY-TXEJJXNPSA-N 1 2 296.334 1.358 20 30 CDEDLO C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001038261353 830393974 /nfs/dbraw/zinc/39/39/74/830393974.db2.gz JTFOZKWBJVLSIV-QWHCGFSZSA-N 1 2 288.395 1.596 20 30 CDEDLO C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001038261353 830393985 /nfs/dbraw/zinc/39/39/85/830393985.db2.gz JTFOZKWBJVLSIV-QWHCGFSZSA-N 1 2 288.395 1.596 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[C@H]1CCCO1 ZINC001017917904 830394127 /nfs/dbraw/zinc/39/41/27/830394127.db2.gz WLRUIUBQGXLTLL-APIJFGDWSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[C@H]1CCCO1 ZINC001017917904 830394133 /nfs/dbraw/zinc/39/41/33/830394133.db2.gz WLRUIUBQGXLTLL-APIJFGDWSA-N 1 2 276.380 1.110 20 30 CDEDLO C[C@H]1C[C@H](C)[N@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794635936 830399544 /nfs/dbraw/zinc/39/95/44/830399544.db2.gz YONIGAIGFTWAGY-UWVGGRQHSA-N 1 2 265.386 1.705 20 30 CDEDLO C[C@H]1C[C@H](C)[N@@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794635936 830399549 /nfs/dbraw/zinc/39/95/49/830399549.db2.gz YONIGAIGFTWAGY-UWVGGRQHSA-N 1 2 265.386 1.705 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cnn(C)c2)C1 ZINC001006891683 830402458 /nfs/dbraw/zinc/40/24/58/830402458.db2.gz NODZIJACDWGFKL-CYBMUJFWSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cnn(C)c2)C1 ZINC001006891683 830402459 /nfs/dbraw/zinc/40/24/59/830402459.db2.gz NODZIJACDWGFKL-CYBMUJFWSA-N 1 2 296.802 1.296 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CCCO2)c1 ZINC001038023892 830408605 /nfs/dbraw/zinc/40/86/05/830408605.db2.gz CONAYTIXCGBOGM-HOTGVXAUSA-N 1 2 299.374 1.428 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CCCO2)c1 ZINC001038023892 830408612 /nfs/dbraw/zinc/40/86/12/830408612.db2.gz CONAYTIXCGBOGM-HOTGVXAUSA-N 1 2 299.374 1.428 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccn[nH]2)c1 ZINC001038073381 830409590 /nfs/dbraw/zinc/40/95/90/830409590.db2.gz ZTFUZQLUNGZTNH-CQSZACIVSA-N 1 2 295.346 1.286 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccn[nH]2)c1 ZINC001038073381 830409599 /nfs/dbraw/zinc/40/95/99/830409599.db2.gz ZTFUZQLUNGZTNH-CQSZACIVSA-N 1 2 295.346 1.286 20 30 CDEDLO C=C(C)C[N@@H+](C)Cc1cn(C[C@H]2CCCO2)nn1 ZINC000877165812 830471140 /nfs/dbraw/zinc/47/11/40/830471140.db2.gz QPRPPEZIZKAHMB-CYBMUJFWSA-N 1 2 250.346 1.465 20 30 CDEDLO C=C(C)C[N@H+](C)Cc1cn(C[C@H]2CCCO2)nn1 ZINC000877165812 830471153 /nfs/dbraw/zinc/47/11/53/830471153.db2.gz QPRPPEZIZKAHMB-CYBMUJFWSA-N 1 2 250.346 1.465 20 30 CDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886015154 830566349 /nfs/dbraw/zinc/56/63/49/830566349.db2.gz WQKBHJCCIUSQQY-UXVJVKIESA-N 1 2 284.425 1.273 20 30 CDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886015154 830566371 /nfs/dbraw/zinc/56/63/71/830566371.db2.gz WQKBHJCCIUSQQY-UXVJVKIESA-N 1 2 284.425 1.273 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[C@@H]1CCCO1 ZINC001017923139 830623316 /nfs/dbraw/zinc/62/33/16/830623316.db2.gz MLGFHNPAHFWATK-JONQDZQNSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[C@@H]1CCCO1 ZINC001017923139 830623330 /nfs/dbraw/zinc/62/33/30/830623330.db2.gz MLGFHNPAHFWATK-JONQDZQNSA-N 1 2 290.407 1.500 20 30 CDEDLO Cc1nc(C#N)cc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1 ZINC000882190052 833645604 /nfs/dbraw/zinc/64/56/04/833645604.db2.gz ZYTRZHJFEKSOBM-UHFFFAOYSA-N 1 2 295.350 1.082 20 30 CDEDLO CN(CC#N)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001027649792 833652327 /nfs/dbraw/zinc/65/23/27/833652327.db2.gz UCFDVHOGZZQOKD-LBPRGKRZSA-N 1 2 289.383 1.134 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2nccs2)C1 ZINC000971217439 830680732 /nfs/dbraw/zinc/68/07/32/830680732.db2.gz FBISOMJFRYDMPN-GHMZBOCLSA-N 1 2 278.381 1.335 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)Cc2nccs2)C1 ZINC000971217439 830680752 /nfs/dbraw/zinc/68/07/52/830680752.db2.gz FBISOMJFRYDMPN-GHMZBOCLSA-N 1 2 278.381 1.335 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[C@H]3C[C@H]3C1)CO2 ZINC001053901687 833688966 /nfs/dbraw/zinc/68/89/66/833688966.db2.gz MJIANXIBHKLCRG-YJNKXOJESA-N 1 2 288.391 1.015 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCS[C@H]1C ZINC000844117275 833752112 /nfs/dbraw/zinc/75/21/12/833752112.db2.gz WWYCHJXIOMOJFG-SRVKXCTJSA-N 1 2 252.383 1.094 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCS[C@H]1C ZINC000844117275 833752142 /nfs/dbraw/zinc/75/21/42/833752142.db2.gz WWYCHJXIOMOJFG-SRVKXCTJSA-N 1 2 252.383 1.094 20 30 CDEDLO CCC(CC)C(=O)N1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801910941 832094546 /nfs/dbraw/zinc/09/45/46/832094546.db2.gz YWSVEHOAXVMTML-CYBMUJFWSA-N 1 2 281.400 1.495 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001030671522 832159623 /nfs/dbraw/zinc/15/96/23/832159623.db2.gz OWRJRNZCIKRDHR-UHFFFAOYSA-N 1 2 270.336 1.553 20 30 CDEDLO C=CCONC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000838707832 832198358 /nfs/dbraw/zinc/19/83/58/832198358.db2.gz RSBZLHOMUXLKJM-UHFFFAOYSA-N 1 2 250.302 1.416 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ncc[nH]2)C1 ZINC001046301946 832236562 /nfs/dbraw/zinc/23/65/62/832236562.db2.gz VZHVYRXUAFBCFP-GFCCVEGCSA-N 1 2 268.748 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ncc[nH]2)C1 ZINC001046301946 832236577 /nfs/dbraw/zinc/23/65/77/832236577.db2.gz VZHVYRXUAFBCFP-GFCCVEGCSA-N 1 2 268.748 1.356 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cnn3c2CCCC3)C1 ZINC001042982553 832259600 /nfs/dbraw/zinc/25/96/00/832259600.db2.gz HNFADRJUHCKKBP-UHFFFAOYSA-N 1 2 288.395 1.091 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccnnc1 ZINC001024677876 832260254 /nfs/dbraw/zinc/26/02/54/832260254.db2.gz KTZCKMHOHUWKHR-CYBMUJFWSA-N 1 2 294.786 1.813 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccnnc1 ZINC001024677876 832260259 /nfs/dbraw/zinc/26/02/59/832260259.db2.gz KTZCKMHOHUWKHR-CYBMUJFWSA-N 1 2 294.786 1.813 20 30 CDEDLO C#CCOc1cccc(Cl)c1C[NH2+]CC(=O)NCC=C ZINC000778178018 832275313 /nfs/dbraw/zinc/27/53/13/832275313.db2.gz IKZXNEMSDBVQTE-UHFFFAOYSA-N 1 2 292.766 1.744 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cn(C)nc2CC)C1 ZINC001043009709 832279528 /nfs/dbraw/zinc/27/95/28/832279528.db2.gz LXPMCMZUFBJRNU-UHFFFAOYSA-N 1 2 276.384 1.315 20 30 CDEDLO C#CCC1(O)CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000882971118 833806635 /nfs/dbraw/zinc/80/66/35/833806635.db2.gz YRJGVYWFHFSWTL-UHFFFAOYSA-N 1 2 286.379 1.653 20 30 CDEDLO C#CCC1(O)CCN(c2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000882971118 833806638 /nfs/dbraw/zinc/80/66/38/833806638.db2.gz YRJGVYWFHFSWTL-UHFFFAOYSA-N 1 2 286.379 1.653 20 30 CDEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(OC)ns2)C1 ZINC001007363159 832286811 /nfs/dbraw/zinc/28/68/11/832286811.db2.gz JRHMVYSDHNEJLC-LLVKDONJSA-N 1 2 293.392 1.369 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(OC)ns2)C1 ZINC001007363159 832286822 /nfs/dbraw/zinc/28/68/22/832286822.db2.gz JRHMVYSDHNEJLC-LLVKDONJSA-N 1 2 293.392 1.369 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccnc(C3CC3)c2)C1 ZINC001043235746 833833869 /nfs/dbraw/zinc/83/38/69/833833869.db2.gz BTLLQRATFONLOM-UHFFFAOYSA-N 1 2 283.375 1.739 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(N2CCCC2)nc1 ZINC001038828329 832306760 /nfs/dbraw/zinc/30/67/60/832306760.db2.gz ZCQAGBLJXNULHN-HNNXBMFYSA-N 1 2 298.390 1.119 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N2CCCC2)nc1 ZINC001038828329 832306773 /nfs/dbraw/zinc/30/67/73/832306773.db2.gz ZCQAGBLJXNULHN-HNNXBMFYSA-N 1 2 298.390 1.119 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000056316715 832312381 /nfs/dbraw/zinc/31/23/81/832312381.db2.gz PPZINOBMWREZDH-LBPRGKRZSA-N 1 2 297.399 1.278 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000056316715 832312388 /nfs/dbraw/zinc/31/23/88/832312388.db2.gz PPZINOBMWREZDH-LBPRGKRZSA-N 1 2 297.399 1.278 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(Cl)nc1 ZINC000852156013 832320165 /nfs/dbraw/zinc/32/01/65/832320165.db2.gz HNWAGWDRQKVDNF-VIFPVBQESA-N 1 2 266.732 1.955 20 30 CDEDLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000782585270 833830366 /nfs/dbraw/zinc/83/03/66/833830366.db2.gz RJCVPMMZJWKAFU-CYBMUJFWSA-N 1 2 287.363 1.490 20 30 CDEDLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000782585270 833830367 /nfs/dbraw/zinc/83/03/67/833830367.db2.gz RJCVPMMZJWKAFU-CYBMUJFWSA-N 1 2 287.363 1.490 20 30 CDEDLO N#Cc1cncc(CN2CC[NH+](Cc3ccco3)CC2)c1 ZINC000929192177 832348858 /nfs/dbraw/zinc/34/88/58/832348858.db2.gz WVIOCWIQYQZAAB-UHFFFAOYSA-N 1 2 282.347 1.864 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCCO1)O2 ZINC001053590160 832381202 /nfs/dbraw/zinc/38/12/02/832381202.db2.gz BNDYJFBAFXXBMA-UONOGXRCSA-N 1 2 294.395 1.091 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c(Cl)n[nH]c2CC)C1 ZINC001042891759 832396080 /nfs/dbraw/zinc/39/60/80/832396080.db2.gz GVMNRQXCWZKYIJ-UHFFFAOYSA-N 1 2 296.802 1.958 20 30 CDEDLO C=CCOc1ccc(C(=O)NC2C[NH+](C[C@H](C)O)C2)cc1 ZINC001030541238 832410098 /nfs/dbraw/zinc/41/00/98/832410098.db2.gz IOWKDPGTILLUTA-LBPRGKRZSA-N 1 2 290.363 1.046 20 30 CDEDLO N#CC1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC1 ZINC000874252361 833836468 /nfs/dbraw/zinc/83/64/68/833836468.db2.gz LGEZIQFIZWJVGG-UHFFFAOYSA-N 1 2 296.330 1.954 20 30 CDEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)CC)C2)CC1 ZINC001051985343 833850560 /nfs/dbraw/zinc/85/05/60/833850560.db2.gz WOPUVSHLZQOOTP-HZPDHXFCSA-N 1 2 293.455 1.827 20 30 CDEDLO Cc1cc(CNC(=O)NCc2ccc(C#N)cn2)cc(C)[nH+]1 ZINC000817167851 833850914 /nfs/dbraw/zinc/85/09/14/833850914.db2.gz QXOUZWVEUXJUDL-UHFFFAOYSA-N 1 2 295.346 1.965 20 30 CDEDLO CCC(=[NH+]NC(=S)N[C@@H](C)COC)c1cccc(N)c1 ZINC000814733966 833856858 /nfs/dbraw/zinc/85/68/58/833856858.db2.gz ZMCFTLXNJDPNAO-JTQLQIEISA-N 1 2 294.424 1.882 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(C)C)nn1CC ZINC001038456855 833868523 /nfs/dbraw/zinc/86/85/23/833868523.db2.gz QBANNXUTKCLMKN-ZDUSSCGKSA-N 1 2 288.395 1.464 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(C)C)nn1CC ZINC001038456855 833868524 /nfs/dbraw/zinc/86/85/24/833868524.db2.gz QBANNXUTKCLMKN-ZDUSSCGKSA-N 1 2 288.395 1.464 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C3CC=CC3)C[C@@H]21 ZINC001074197504 833860062 /nfs/dbraw/zinc/86/00/62/833860062.db2.gz WRBZFUNFVLWQBW-HOTGVXAUSA-N 1 2 290.407 1.830 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3CC=CC3)C[C@@H]21 ZINC001074197504 833860063 /nfs/dbraw/zinc/86/00/63/833860063.db2.gz WRBZFUNFVLWQBW-HOTGVXAUSA-N 1 2 290.407 1.830 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3ccsc3c2)C1 ZINC001030786952 833862519 /nfs/dbraw/zinc/86/25/19/833862519.db2.gz IIJKTQGHJOXEGJ-UHFFFAOYSA-N 1 2 285.372 1.734 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccnn1 ZINC001028221809 833862771 /nfs/dbraw/zinc/86/27/71/833862771.db2.gz OWZMKZGPOMXEAV-LLVKDONJSA-N 1 2 280.759 1.423 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccnn1 ZINC001028221809 833862772 /nfs/dbraw/zinc/86/27/72/833862772.db2.gz OWZMKZGPOMXEAV-LLVKDONJSA-N 1 2 280.759 1.423 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2nc[nH]c21 ZINC001018092911 832484554 /nfs/dbraw/zinc/48/45/54/832484554.db2.gz HETJPSOYWHHYIH-BETUJISGSA-N 1 2 294.358 1.485 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2nc[nH]c21 ZINC001018092911 832484567 /nfs/dbraw/zinc/48/45/67/832484567.db2.gz HETJPSOYWHHYIH-BETUJISGSA-N 1 2 294.358 1.485 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867233602 832524426 /nfs/dbraw/zinc/52/44/26/832524426.db2.gz VWEMIEIIQUCGBW-IZPAUZPXSA-N 1 2 266.385 1.736 20 30 CDEDLO COC[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000933337902 832549879 /nfs/dbraw/zinc/54/98/79/832549879.db2.gz WNPPEFZQZAGPFS-OAHLLOKOSA-N 1 2 260.337 1.714 20 30 CDEDLO COC[C@@H]1COCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000933337902 832549884 /nfs/dbraw/zinc/54/98/84/832549884.db2.gz WNPPEFZQZAGPFS-OAHLLOKOSA-N 1 2 260.337 1.714 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc3[nH]nnc3c2)CC1 ZINC001052926332 832555209 /nfs/dbraw/zinc/55/52/09/832555209.db2.gz IWVSQGVPMDZSSO-ZDUSSCGKSA-N 1 2 297.362 1.175 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3[nH]nnc3c2)CC1 ZINC001052926332 832555220 /nfs/dbraw/zinc/55/52/20/832555220.db2.gz IWVSQGVPMDZSSO-ZDUSSCGKSA-N 1 2 297.362 1.175 20 30 CDEDLO C#CCCOC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000859063697 833873883 /nfs/dbraw/zinc/87/38/83/833873883.db2.gz XLLLCUIBAUSTGN-STQMWFEESA-N 1 2 261.325 1.926 20 30 CDEDLO C#Cc1ccccc1CC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836859556 833875905 /nfs/dbraw/zinc/87/59/05/833875905.db2.gz FEWMTWADLMYYIR-CALCHBBNSA-N 1 2 298.386 1.190 20 30 CDEDLO C#Cc1ccccc1CC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836859556 833875906 /nfs/dbraw/zinc/87/59/06/833875906.db2.gz FEWMTWADLMYYIR-CALCHBBNSA-N 1 2 298.386 1.190 20 30 CDEDLO C=CCN1CC[C@H](OC(=O)[C@H]2CCCC[N@H+]2CC)C1=O ZINC000798622622 833876251 /nfs/dbraw/zinc/87/62/51/833876251.db2.gz ASYFPZOYHZYPOP-OLZOCXBDSA-N 1 2 280.368 1.191 20 30 CDEDLO C=CCN1CC[C@H](OC(=O)[C@H]2CCCC[N@@H+]2CC)C1=O ZINC000798622622 833876252 /nfs/dbraw/zinc/87/62/52/833876252.db2.gz ASYFPZOYHZYPOP-OLZOCXBDSA-N 1 2 280.368 1.191 20 30 CDEDLO Cc1nc(N[C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cc[nH+]1 ZINC001059182095 832595466 /nfs/dbraw/zinc/59/54/66/832595466.db2.gz AZYLPVKMCCGKQS-HAQNSBGRSA-N 1 2 296.334 1.358 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001038374718 833899222 /nfs/dbraw/zinc/89/92/22/833899222.db2.gz VMXXVMJPWHZCBR-LBPRGKRZSA-N 1 2 299.330 1.361 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001038374718 833899223 /nfs/dbraw/zinc/89/92/23/833899223.db2.gz VMXXVMJPWHZCBR-LBPRGKRZSA-N 1 2 299.330 1.361 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1oc(C2CC2)nc1C ZINC001032672586 832645818 /nfs/dbraw/zinc/64/58/18/832645818.db2.gz DMXKBQCTNBGDSY-KBPBESRZSA-N 1 2 299.374 1.782 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1oc(C2CC2)nc1C ZINC001032672586 832645827 /nfs/dbraw/zinc/64/58/27/832645827.db2.gz DMXKBQCTNBGDSY-KBPBESRZSA-N 1 2 299.374 1.782 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc(CC)s2)C1 ZINC000923583263 832667574 /nfs/dbraw/zinc/66/75/74/832667574.db2.gz PIUKXFDDMQYNDH-NSHDSACASA-N 1 2 277.393 1.533 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc(CC)s2)C1 ZINC000923583263 832667591 /nfs/dbraw/zinc/66/75/91/832667591.db2.gz PIUKXFDDMQYNDH-NSHDSACASA-N 1 2 277.393 1.533 20 30 CDEDLO C=C(CO)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000791364604 832679583 /nfs/dbraw/zinc/67/95/83/832679583.db2.gz VYXXELXIUCLCRP-VMPITWQZSA-N 1 2 286.375 1.393 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)on1 ZINC001027740280 833937070 /nfs/dbraw/zinc/93/70/70/833937070.db2.gz YNKCIERNVSBFKV-NSHDSACASA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)on1 ZINC001027740280 833937100 /nfs/dbraw/zinc/93/71/00/833937100.db2.gz YNKCIERNVSBFKV-NSHDSACASA-N 1 2 283.759 1.930 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)n([C@@H](C)CC)n2)C1 ZINC001030584581 832754586 /nfs/dbraw/zinc/75/45/86/832754586.db2.gz YVCNLYNWTOTGBZ-LBPRGKRZSA-N 1 2 288.395 1.600 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2Cc3cccc(C)c3O2)C1 ZINC001031495233 832811062 /nfs/dbraw/zinc/81/10/62/832811062.db2.gz FPAJHDWYCCDEAO-OAHLLOKOSA-N 1 2 286.375 1.675 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(OCC=C)cc2)C1 ZINC001030541173 832811985 /nfs/dbraw/zinc/81/19/85/832811985.db2.gz GTLYYDYTZKDDCU-UHFFFAOYSA-N 1 2 284.359 1.689 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)no2)C1 ZINC001035591389 832839602 /nfs/dbraw/zinc/83/96/02/832839602.db2.gz JVBLZQPARHDWDB-JTQLQIEISA-N 1 2 299.758 1.335 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)no2)C1 ZINC001035591389 832839605 /nfs/dbraw/zinc/83/96/05/832839605.db2.gz JVBLZQPARHDWDB-JTQLQIEISA-N 1 2 299.758 1.335 20 30 CDEDLO C#CCOCCNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000784243961 832839832 /nfs/dbraw/zinc/83/98/32/832839832.db2.gz NTAIWXUPLUVCHO-UHFFFAOYSA-N 1 2 298.346 1.321 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cc1cn(C(C)(C)C)nn1 ZINC000852750144 832847549 /nfs/dbraw/zinc/84/75/49/832847549.db2.gz MNJMBYGDUDUVOK-UHFFFAOYSA-N 1 2 264.373 1.505 20 30 CDEDLO C#CCC[N@H+](CCOC)Cc1cn(C(C)(C)C)nn1 ZINC000852750144 832847550 /nfs/dbraw/zinc/84/75/50/832847550.db2.gz MNJMBYGDUDUVOK-UHFFFAOYSA-N 1 2 264.373 1.505 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)n1C ZINC001038059410 833467367 /nfs/dbraw/zinc/46/73/67/833467367.db2.gz JNKAHBJCNHGCGK-ZDUSSCGKSA-N 1 2 259.353 1.161 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)n1C ZINC001038059410 833467379 /nfs/dbraw/zinc/46/73/79/833467379.db2.gz JNKAHBJCNHGCGK-ZDUSSCGKSA-N 1 2 259.353 1.161 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc[nH]c2C(C)C)C1 ZINC001035484940 833469704 /nfs/dbraw/zinc/46/97/04/833469704.db2.gz RSVSDTDYPFTHTP-CYBMUJFWSA-N 1 2 291.395 1.755 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc[nH]c2C(C)C)C1 ZINC001035484940 833469721 /nfs/dbraw/zinc/46/97/21/833469721.db2.gz RSVSDTDYPFTHTP-CYBMUJFWSA-N 1 2 291.395 1.755 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001030351084 833513226 /nfs/dbraw/zinc/51/32/26/833513226.db2.gz CJEZLNJANMGVDF-UHFFFAOYSA-N 1 2 286.375 1.749 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn(C3CCC3)c2)C1 ZINC001030307037 833517143 /nfs/dbraw/zinc/51/71/43/833517143.db2.gz IRVJXAHCXWWOQX-UHFFFAOYSA-N 1 2 274.368 1.598 20 30 CDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC2)CC1 ZINC001004312038 833771379 /nfs/dbraw/zinc/77/13/79/833771379.db2.gz NZJJDJUQZPWBEG-CQSZACIVSA-N 1 2 261.369 1.623 20 30 CDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC2)CC1 ZINC001004312038 833771389 /nfs/dbraw/zinc/77/13/89/833771389.db2.gz NZJJDJUQZPWBEG-CQSZACIVSA-N 1 2 261.369 1.623 20 30 CDEDLO COc1cc(C)c(NC[C@@H](O)C[N@H+](C)CCC#N)cc1F ZINC000819470952 833833055 /nfs/dbraw/zinc/83/30/55/833833055.db2.gz AKLCQOMXOHZKLQ-GFCCVEGCSA-N 1 2 295.358 1.761 20 30 CDEDLO COc1cc(C)c(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1F ZINC000819470952 833833056 /nfs/dbraw/zinc/83/30/56/833833056.db2.gz AKLCQOMXOHZKLQ-GFCCVEGCSA-N 1 2 295.358 1.761 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(F)cccc1OC ZINC001038294051 833834980 /nfs/dbraw/zinc/83/49/80/833834980.db2.gz SHLBLBIMIFQPMF-LBPRGKRZSA-N 1 2 290.338 1.662 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(F)cccc1OC ZINC001038294051 833834982 /nfs/dbraw/zinc/83/49/82/833834982.db2.gz SHLBLBIMIFQPMF-LBPRGKRZSA-N 1 2 290.338 1.662 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001038824496 833857205 /nfs/dbraw/zinc/85/72/05/833857205.db2.gz YSHQVDSYTZTPJQ-XJKSGUPXSA-N 1 2 298.386 1.837 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001038824496 833857206 /nfs/dbraw/zinc/85/72/06/833857206.db2.gz YSHQVDSYTZTPJQ-XJKSGUPXSA-N 1 2 298.386 1.837 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2cc(F)ccc21 ZINC001032524211 833883986 /nfs/dbraw/zinc/88/39/86/833883986.db2.gz YETSOZHATYQUEO-ZOBUZTSGSA-N 1 2 298.361 1.774 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2cc(F)ccc21 ZINC001032524211 833883987 /nfs/dbraw/zinc/88/39/87/833883987.db2.gz YETSOZHATYQUEO-ZOBUZTSGSA-N 1 2 298.361 1.774 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)CCCCC1 ZINC000844449503 833998202 /nfs/dbraw/zinc/99/82/02/833998202.db2.gz KTXJETKBXXKRQN-PHIMTYICSA-N 1 2 283.322 1.526 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)CCCCC1 ZINC000844449503 833998248 /nfs/dbraw/zinc/99/82/48/833998248.db2.gz KTXJETKBXXKRQN-PHIMTYICSA-N 1 2 283.322 1.526 20 30 CDEDLO CCN(C)c1ccc(C=[NH+]NC(=S)N(C)C)cn1 ZINC000790160982 834012066 /nfs/dbraw/zinc/01/20/66/834012066.db2.gz ALXLROYDRWORNY-UHFFFAOYSA-N 1 2 265.386 1.308 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2CCCCC2)C1 ZINC001035265485 834024479 /nfs/dbraw/zinc/02/44/79/834024479.db2.gz VDXSDIDFVWFSDM-CQSZACIVSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C2CCCCC2)C1 ZINC001035265485 834024489 /nfs/dbraw/zinc/02/44/89/834024489.db2.gz VDXSDIDFVWFSDM-CQSZACIVSA-N 1 2 266.385 1.570 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1[nH]ccc1C)CO2 ZINC001053791221 834041258 /nfs/dbraw/zinc/04/12/58/834041258.db2.gz HGTNDOAXOGLWOY-CYBMUJFWSA-N 1 2 289.379 1.472 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cccnc2C)C1 ZINC001043860795 834057748 /nfs/dbraw/zinc/05/77/48/834057748.db2.gz MKWODTVYGOWMHW-UHFFFAOYSA-N 1 2 259.353 1.261 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2CCOc3ccccc32)C1 ZINC001030788860 834061018 /nfs/dbraw/zinc/06/10/18/834061018.db2.gz ADLNNKPQQKAGRD-ZDUSSCGKSA-N 1 2 286.375 1.929 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cccc3[nH]ccc32)C1 ZINC001035527085 834205293 /nfs/dbraw/zinc/20/52/93/834205293.db2.gz LNRCKAPNWZVSLB-CYBMUJFWSA-N 1 2 299.374 1.785 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cccc3[nH]ccc32)C1 ZINC001035527085 834205314 /nfs/dbraw/zinc/20/53/14/834205314.db2.gz LNRCKAPNWZVSLB-CYBMUJFWSA-N 1 2 299.374 1.785 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc[nH]n2)C1 ZINC001032923872 834211958 /nfs/dbraw/zinc/21/19/58/834211958.db2.gz HUUZMRVEECEFLT-JTQLQIEISA-N 1 2 268.748 1.309 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc[nH]n2)C1 ZINC001032923872 834211991 /nfs/dbraw/zinc/21/19/91/834211991.db2.gz HUUZMRVEECEFLT-JTQLQIEISA-N 1 2 268.748 1.309 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccs1)CO2 ZINC001053727678 834293675 /nfs/dbraw/zinc/29/36/75/834293675.db2.gz DGUZXJBSGWFTGW-LBPRGKRZSA-N 1 2 290.388 1.345 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2ccc(F)c(F)c2)C1 ZINC001030864746 834309124 /nfs/dbraw/zinc/30/91/24/834309124.db2.gz QIOIEJBVEXCCAD-UHFFFAOYSA-N 1 2 266.291 1.494 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccccc1)CO2 ZINC001053724678 834389202 /nfs/dbraw/zinc/38/92/02/834389202.db2.gz NMLCEFOVJLJENJ-OAHLLOKOSA-N 1 2 286.375 1.836 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc(Cl)sc1C ZINC001038497006 834483066 /nfs/dbraw/zinc/48/30/66/834483066.db2.gz KNKJJLHTCFNDBO-SNVBAGLBSA-N 1 2 297.811 1.932 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1nc(Cl)sc1C ZINC001038497006 834483088 /nfs/dbraw/zinc/48/30/88/834483088.db2.gz KNKJJLHTCFNDBO-SNVBAGLBSA-N 1 2 297.811 1.932 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(CF)cc2)nn1 ZINC000881301779 834562205 /nfs/dbraw/zinc/56/22/05/834562205.db2.gz ACDKKDUUXFEDKA-UHFFFAOYSA-N 1 2 272.327 1.909 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC001015889856 834583854 /nfs/dbraw/zinc/58/38/54/834583854.db2.gz FZFRYYOBPNXONI-NSHDSACASA-N 1 2 270.336 1.553 20 30 CDEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC001015889856 834583866 /nfs/dbraw/zinc/58/38/66/834583866.db2.gz FZFRYYOBPNXONI-NSHDSACASA-N 1 2 270.336 1.553 20 30 CDEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@H]1C(N)=O)c1ccccc1 ZINC000879038763 834689829 /nfs/dbraw/zinc/68/98/29/834689829.db2.gz XRIQTLZSJNZSGA-RDJZCZTQSA-N 1 2 299.374 1.377 20 30 CDEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@H]1C(N)=O)c1ccccc1 ZINC000879038763 834689849 /nfs/dbraw/zinc/68/98/49/834689849.db2.gz XRIQTLZSJNZSGA-RDJZCZTQSA-N 1 2 299.374 1.377 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C1CC(OC)C1 ZINC001027955987 834690047 /nfs/dbraw/zinc/69/00/47/834690047.db2.gz NOLRAEVVZYNETN-OTTFEQOBSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CC(OC)C1 ZINC001027955987 834690056 /nfs/dbraw/zinc/69/00/56/834690056.db2.gz NOLRAEVVZYNETN-OTTFEQOBSA-N 1 2 286.803 1.745 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(C#N)c1 ZINC000830420549 834735950 /nfs/dbraw/zinc/73/59/50/834735950.db2.gz MNJIBUHDDHXLNS-AWEZNQCLSA-N 1 2 283.331 1.603 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(C#N)c1 ZINC000830420549 834735963 /nfs/dbraw/zinc/73/59/63/834735963.db2.gz MNJIBUHDDHXLNS-AWEZNQCLSA-N 1 2 283.331 1.603 20 30 CDEDLO C#CCOc1cccc(NC(=O)NCc2c[nH+]cn2C)c1 ZINC000809877559 834767031 /nfs/dbraw/zinc/76/70/31/834767031.db2.gz MPUMCFRTAUERMA-UHFFFAOYSA-N 1 2 284.319 1.754 20 30 CDEDLO N#C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CCCC1 ZINC000921550398 834769280 /nfs/dbraw/zinc/76/92/80/834769280.db2.gz JVCIWRKTYSZLQS-JSGCOSHPSA-N 1 2 272.352 1.644 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1CC(C)C1)CCO2 ZINC001053214058 834788720 /nfs/dbraw/zinc/78/87/20/834788720.db2.gz SYKUGZLLUCKQEG-UHFFFAOYSA-N 1 2 278.396 1.522 20 30 CDEDLO N#Cc1cccn(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c1=O ZINC000793747421 834808835 /nfs/dbraw/zinc/80/88/35/834808835.db2.gz PFRFHMXHVXYKRT-OAHLLOKOSA-N 1 2 287.363 1.426 20 30 CDEDLO N#Cc1cccn(C[N@H+]2CCOC[C@H](C3CCC3)C2)c1=O ZINC000793747421 834808837 /nfs/dbraw/zinc/80/88/37/834808837.db2.gz PFRFHMXHVXYKRT-OAHLLOKOSA-N 1 2 287.363 1.426 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#C)cc1 ZINC001017784359 834810773 /nfs/dbraw/zinc/81/07/73/834810773.db2.gz GBLNGVMDCQCFQP-CALCHBBNSA-N 1 2 278.355 1.590 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#C)cc1 ZINC001017784359 834810774 /nfs/dbraw/zinc/81/07/74/834810774.db2.gz GBLNGVMDCQCFQP-CALCHBBNSA-N 1 2 278.355 1.590 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(N2CCCC2)ccn1 ZINC001038478818 834830680 /nfs/dbraw/zinc/83/06/80/834830680.db2.gz MSJOMLTWMMVPCN-HNNXBMFYSA-N 1 2 298.390 1.119 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(N2CCCC2)ccn1 ZINC001038478818 834830681 /nfs/dbraw/zinc/83/06/81/834830681.db2.gz MSJOMLTWMMVPCN-HNNXBMFYSA-N 1 2 298.390 1.119 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COc2ccccc2C1 ZINC001032508113 834841824 /nfs/dbraw/zinc/84/18/24/834841824.db2.gz IBISHOPDUZMRBA-PMPSAXMXSA-N 1 2 296.370 1.156 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COc2ccccc2C1 ZINC001032508113 834841826 /nfs/dbraw/zinc/84/18/26/834841826.db2.gz IBISHOPDUZMRBA-PMPSAXMXSA-N 1 2 296.370 1.156 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2C)C1 ZINC001035271558 834842407 /nfs/dbraw/zinc/84/24/07/834842407.db2.gz DZRKPUMRNKCLIC-AWEZNQCLSA-N 1 2 274.364 1.612 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2C)C1 ZINC001035271558 834842410 /nfs/dbraw/zinc/84/24/10/834842410.db2.gz DZRKPUMRNKCLIC-AWEZNQCLSA-N 1 2 274.364 1.612 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccc2[nH]ccc21 ZINC001032632572 834850638 /nfs/dbraw/zinc/85/06/38/834850638.db2.gz DLSPXWFDAJKIOG-STQMWFEESA-N 1 2 294.358 1.485 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccc2[nH]ccc21 ZINC001032632572 834850639 /nfs/dbraw/zinc/85/06/39/834850639.db2.gz DLSPXWFDAJKIOG-STQMWFEESA-N 1 2 294.358 1.485 20 30 CDEDLO C=CCC(F)(F)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000814860414 834897967 /nfs/dbraw/zinc/89/79/67/834897967.db2.gz ANDCGQXBKOSEAM-GFCCVEGCSA-N 1 2 290.354 1.671 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3CCC(NCC#N)CC3)ccn12 ZINC000996512795 834955816 /nfs/dbraw/zinc/95/58/16/834955816.db2.gz AFPAAMXZXGKVIP-UHFFFAOYSA-N 1 2 297.362 1.361 20 30 CDEDLO C[C@@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccn1)n1cc[nH+]c1 ZINC000845444781 835014108 /nfs/dbraw/zinc/01/41/08/835014108.db2.gz AKHZDIBFKIBUHW-NWDGAFQWSA-N 1 2 297.318 1.577 20 30 CDEDLO CN(C)c1ncc(C=[NH+]Nc2ccc(Cl)nc2)n1C ZINC000811643084 835143643 /nfs/dbraw/zinc/14/36/43/835143643.db2.gz RQMMBGIMWIWQHV-UHFFFAOYSA-N 1 2 278.747 1.981 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cncn1C ZINC001024537407 835313016 /nfs/dbraw/zinc/31/30/16/835313016.db2.gz FDXSCESFEWGQJP-LBPRGKRZSA-N 1 2 296.802 1.757 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cncn1C ZINC001024537407 835313032 /nfs/dbraw/zinc/31/30/32/835313032.db2.gz FDXSCESFEWGQJP-LBPRGKRZSA-N 1 2 296.802 1.757 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2OCCc3ccccc32)C1 ZINC001030775189 835318190 /nfs/dbraw/zinc/31/81/90/835318190.db2.gz YUQDKMBMIYHVTK-INIZCTEOSA-N 1 2 286.375 1.677 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2scnc2CC)[C@H]1C ZINC000993404736 835328852 /nfs/dbraw/zinc/32/88/52/835328852.db2.gz YYQMDHRGPSVFPU-YPMHNXCESA-N 1 2 291.420 1.921 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2scnc2CC)[C@H]1C ZINC000993404736 835328860 /nfs/dbraw/zinc/32/88/60/835328860.db2.gz YYQMDHRGPSVFPU-YPMHNXCESA-N 1 2 291.420 1.921 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCN(C)c2ccccc21 ZINC001038356307 835345862 /nfs/dbraw/zinc/34/58/62/835345862.db2.gz IVWQKFFTNZLMSY-HOCLYGCPSA-N 1 2 297.402 1.434 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCN(C)c2ccccc21 ZINC001038356307 835345871 /nfs/dbraw/zinc/34/58/71/835345871.db2.gz IVWQKFFTNZLMSY-HOCLYGCPSA-N 1 2 297.402 1.434 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cocn3)[C@@H]2C1 ZINC001075612717 835369117 /nfs/dbraw/zinc/36/91/17/835369117.db2.gz YZPGGMVCGKNORE-CMPLNLGQSA-N 1 2 281.743 1.573 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cocn3)[C@@H]2C1 ZINC001075612717 835369125 /nfs/dbraw/zinc/36/91/25/835369125.db2.gz YZPGGMVCGKNORE-CMPLNLGQSA-N 1 2 281.743 1.573 20 30 CDEDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2ccc(C#N)c(C)c2)C1 ZINC000805471288 835381213 /nfs/dbraw/zinc/38/12/13/835381213.db2.gz FLUDAHGJRNUVLZ-HNNXBMFYSA-N 1 2 288.347 1.631 20 30 CDEDLO CC[N@H+]1CCO[C@H](C(=O)OCc2ccc(C#N)c(C)c2)C1 ZINC000805471288 835381224 /nfs/dbraw/zinc/38/12/24/835381224.db2.gz FLUDAHGJRNUVLZ-HNNXBMFYSA-N 1 2 288.347 1.631 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2ocnc2C2CC2)C1 ZINC001030951252 835381551 /nfs/dbraw/zinc/38/15/51/835381551.db2.gz QDGNMVVRPVBWGY-UHFFFAOYSA-N 1 2 261.325 1.542 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ncccc1F ZINC001032588751 835391572 /nfs/dbraw/zinc/39/15/72/835391572.db2.gz PKUSSXNJYDYYPG-STQMWFEESA-N 1 2 287.338 1.072 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ncccc1F ZINC001032588751 835391583 /nfs/dbraw/zinc/39/15/83/835391583.db2.gz PKUSSXNJYDYYPG-STQMWFEESA-N 1 2 287.338 1.072 20 30 CDEDLO C#CC[C@H]([NH2+]CC1Cc2ccccc2C1)C(=O)OC ZINC000839168350 835424290 /nfs/dbraw/zinc/42/42/90/835424290.db2.gz LIRNSDSGFKBRKV-HNNXBMFYSA-N 1 2 257.333 1.556 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001039049545 835494854 /nfs/dbraw/zinc/49/48/54/835494854.db2.gz QKFBZOJVCWSXOY-NEXFUWMNSA-N 1 2 260.381 1.636 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001039049545 835494859 /nfs/dbraw/zinc/49/48/59/835494859.db2.gz QKFBZOJVCWSXOY-NEXFUWMNSA-N 1 2 260.381 1.636 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1NC(=O)CC ZINC001038821441 835516428 /nfs/dbraw/zinc/51/64/28/835516428.db2.gz RZKOWGIYPNTVMP-ZDUSSCGKSA-N 1 2 299.374 1.472 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1NC(=O)CC ZINC001038821441 835516434 /nfs/dbraw/zinc/51/64/34/835516434.db2.gz RZKOWGIYPNTVMP-ZDUSSCGKSA-N 1 2 299.374 1.472 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)o1 ZINC000815382693 835534636 /nfs/dbraw/zinc/53/46/36/835534636.db2.gz IQZCHLXHESUDRM-NSHDSACASA-N 1 2 270.292 1.825 20 30 CDEDLO N#CCN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001052460674 835540618 /nfs/dbraw/zinc/54/06/18/835540618.db2.gz CHVYPXNKAVIOSF-YNEHKIRRSA-N 1 2 287.367 1.007 20 30 CDEDLO N#CCN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001052460674 835540621 /nfs/dbraw/zinc/54/06/21/835540621.db2.gz CHVYPXNKAVIOSF-YNEHKIRRSA-N 1 2 287.367 1.007 20 30 CDEDLO C=C1CC(C)(C(=O)NC2C[NH+](CCc3ccnn3C)C2)C1 ZINC001030924496 835591850 /nfs/dbraw/zinc/59/18/50/835591850.db2.gz RBTPLURGOLDITF-UHFFFAOYSA-N 1 2 288.395 1.119 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001038592707 835595653 /nfs/dbraw/zinc/59/56/53/835595653.db2.gz MCRHZMLCYUEPGC-AWEZNQCLSA-N 1 2 281.359 1.914 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001038592707 835595658 /nfs/dbraw/zinc/59/56/58/835595658.db2.gz MCRHZMLCYUEPGC-AWEZNQCLSA-N 1 2 281.359 1.914 20 30 CDEDLO O=C(C#CC1CC1)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874890787 835624977 /nfs/dbraw/zinc/62/49/77/835624977.db2.gz ZGZNGEJCVAKRHI-HNNXBMFYSA-N 1 2 272.323 1.712 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1CCC)CO2 ZINC001053918003 835635479 /nfs/dbraw/zinc/63/54/79/835635479.db2.gz ASQCZDKDOTWUMD-RBSFLKMASA-N 1 2 290.407 1.405 20 30 CDEDLO C#C[C@H](C)NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000820430055 835641431 /nfs/dbraw/zinc/64/14/31/835641431.db2.gz ZBOBBZXBUHDTFI-AGIUHOORSA-N 1 2 260.341 1.497 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc2nc(C)[nH]c21 ZINC001028246274 835730618 /nfs/dbraw/zinc/73/06/18/835730618.db2.gz QLFSIVLIBZJBBE-ZDUSSCGKSA-N 1 2 296.374 1.699 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc2nc(C)[nH]c21 ZINC001028246274 835730628 /nfs/dbraw/zinc/73/06/28/835730628.db2.gz QLFSIVLIBZJBBE-ZDUSSCGKSA-N 1 2 296.374 1.699 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001095114547 912451792 /nfs/dbraw/zinc/45/17/92/912451792.db2.gz CTVZFBWYOLFRRD-CQSZACIVSA-N 1 2 286.379 1.626 20 30 CDEDLO Cc1nc(N[C@@H]2CCCN(C(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001095294525 913073801 /nfs/dbraw/zinc/07/38/01/913073801.db2.gz PZEKLKOXJLNMLB-CQSZACIVSA-N 1 2 286.379 1.847 20 30 CDEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(C)[nH]n1)CC2 ZINC001272544686 913406920 /nfs/dbraw/zinc/40/69/20/913406920.db2.gz UAAONVDRUWHYGH-AWEZNQCLSA-N 1 2 286.379 1.070 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[C@H]1CCCCO1 ZINC001234385438 913600299 /nfs/dbraw/zinc/60/02/99/913600299.db2.gz NIRMJIBJHQJOCM-HUUCEWRRSA-N 1 2 292.423 1.748 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[C@H]1CCCCO1 ZINC001234385438 913600307 /nfs/dbraw/zinc/60/03/07/913600307.db2.gz NIRMJIBJHQJOCM-HUUCEWRRSA-N 1 2 292.423 1.748 20 30 CDEDLO C[C@@H](CCNc1ccc(C#N)cn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001106599316 914056960 /nfs/dbraw/zinc/05/69/60/914056960.db2.gz ZCPUACGKJMPRGJ-NSHDSACASA-N 1 2 298.350 1.226 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)c(C#N)c1 ZINC001137699559 897804155 /nfs/dbraw/zinc/80/41/55/897804155.db2.gz LNNGBKOXGMXMLI-JKSUJKDBSA-N 1 2 290.363 1.132 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@H](O)[C@@](C)(CO)C2)c(C#N)c1 ZINC001137699559 897804159 /nfs/dbraw/zinc/80/41/59/897804159.db2.gz LNNGBKOXGMXMLI-JKSUJKDBSA-N 1 2 290.363 1.132 20 30 CDEDLO CCN(CCNc1cc[nH+]c(C)n1)C(=O)c1cc(C#N)c[nH]1 ZINC001106720345 914193232 /nfs/dbraw/zinc/19/32/32/914193232.db2.gz RCTRSVOUIQCQOO-UHFFFAOYSA-N 1 2 298.350 1.559 20 30 CDEDLO C#CCN1CC2(C[NH+](Cc3ccc(C)cc3C)C2)OCC1=O ZINC001272640304 914274645 /nfs/dbraw/zinc/27/46/45/914274645.db2.gz WVZTZUBJKCVMPZ-UHFFFAOYSA-N 1 2 298.386 1.350 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)CCCCCC)[C@@H](O)C1 ZINC001220588233 899558100 /nfs/dbraw/zinc/55/81/00/899558100.db2.gz AABMCQDZWQXQMV-KFWWJZLASA-N 1 2 280.412 1.387 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CCCCCC)[C@@H](O)C1 ZINC001220588233 899558103 /nfs/dbraw/zinc/55/81/03/899558103.db2.gz AABMCQDZWQXQMV-KFWWJZLASA-N 1 2 280.412 1.387 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H]2OCC[N@H+](CCC#C)[C@H]2C1 ZINC001177005562 914431878 /nfs/dbraw/zinc/43/18/78/914431878.db2.gz HYOYZNRBKCUUKG-JKSUJKDBSA-N 1 2 288.391 1.115 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H]2OCC[N@@H+](CCC#C)[C@H]2C1 ZINC001177005562 914431883 /nfs/dbraw/zinc/43/18/83/914431883.db2.gz HYOYZNRBKCUUKG-JKSUJKDBSA-N 1 2 288.391 1.115 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)OCc1ccc(C#N)s1 ZINC001223285949 901153614 /nfs/dbraw/zinc/15/36/14/901153614.db2.gz IBOFJBOUYUPDJQ-NSHDSACASA-N 1 2 266.366 1.857 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](C)n2cccn2)C1 ZINC001481614877 901469034 /nfs/dbraw/zinc/46/90/34/901469034.db2.gz GTUUIKIABNLNBM-LLVKDONJSA-N 1 2 282.775 1.245 20 30 CDEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001269159877 903493938 /nfs/dbraw/zinc/49/39/38/903493938.db2.gz ZROOYMGSHNVDJN-ZIAGYGMSSA-N 1 2 290.411 1.713 20 30 CDEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001269159877 903493948 /nfs/dbraw/zinc/49/39/48/903493948.db2.gz ZROOYMGSHNVDJN-ZIAGYGMSSA-N 1 2 290.411 1.713 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnnn2C)[C@H]1CC ZINC001087559442 905672397 /nfs/dbraw/zinc/67/23/97/905672397.db2.gz KLXKPFPCXFNSIK-WDEREUQCSA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnnn2C)[C@H]1CC ZINC001087559442 905672404 /nfs/dbraw/zinc/67/24/04/905672404.db2.gz KLXKPFPCXFNSIK-WDEREUQCSA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC001088529875 907608986 /nfs/dbraw/zinc/60/89/86/907608986.db2.gz SKSOXEAZCIOVBI-MFKMUULPSA-N 1 2 292.770 1.831 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC001088529875 907608991 /nfs/dbraw/zinc/60/89/91/907608991.db2.gz SKSOXEAZCIOVBI-MFKMUULPSA-N 1 2 292.770 1.831 20 30 CDEDLO COC(=O)[C@@H](Cc1c[nH+]cn1C)N[C@@H](C)CCCC#N ZINC001172488072 911727349 /nfs/dbraw/zinc/72/73/49/911727349.db2.gz KYQYGSDNGXILBK-WCQYABFASA-N 1 2 278.356 1.176 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)OCC)C1 ZINC001206170769 911817235 /nfs/dbraw/zinc/81/72/35/911817235.db2.gz QGJBRKWLHDKROJ-ADEWGFFLSA-N 1 2 274.792 1.600 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)OCC)C1 ZINC001206170769 911817242 /nfs/dbraw/zinc/81/72/42/911817242.db2.gz QGJBRKWLHDKROJ-ADEWGFFLSA-N 1 2 274.792 1.600 20 30 CDEDLO COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2(C#N)CCOCC2)CC1 ZINC001172778187 911963207 /nfs/dbraw/zinc/96/32/07/911963207.db2.gz LFSLKILNQIZTKE-CHWSQXEVSA-N 1 2 280.368 1.771 20 30 CDEDLO N#Cc1nn(-c2ccc(Cn3cc[nH+]c3)cc2)cc1N ZINC001212694146 912110568 /nfs/dbraw/zinc/11/05/68/912110568.db2.gz LWWQLOJVTLUEOA-UHFFFAOYSA-N 1 2 264.292 1.571 20 30 CDEDLO C[C@H](C(=O)Nc1ccc(O)c(C#N)c1)n1cc[nH+]c1 ZINC001177926591 914994119 /nfs/dbraw/zinc/99/41/19/914994119.db2.gz LMBMVQWGVLOBFL-SECBINFHSA-N 1 2 256.265 1.660 20 30 CDEDLO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1[nH]ncc1F ZINC001089691738 915433836 /nfs/dbraw/zinc/43/38/36/915433836.db2.gz WUTOWPNYJGICMX-NSHDSACASA-N 1 2 294.374 1.955 20 30 CDEDLO C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1[nH]ncc1F ZINC001089691738 915433842 /nfs/dbraw/zinc/43/38/42/915433842.db2.gz WUTOWPNYJGICMX-NSHDSACASA-N 1 2 294.374 1.955 20 30 CDEDLO N#CCNCCCCCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001178822963 915639159 /nfs/dbraw/zinc/63/91/59/915639159.db2.gz FOTHMRJYTYVTSW-UHFFFAOYSA-N 1 2 299.378 1.966 20 30 CDEDLO CC#CC(=O)NCc1c[nH+]cn1Cc1ccccc1OC ZINC001179756181 915974305 /nfs/dbraw/zinc/97/43/05/915974305.db2.gz FPKWLKCNAKHHHQ-UHFFFAOYSA-N 1 2 283.331 1.580 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ncccn1 ZINC001485361890 916883527 /nfs/dbraw/zinc/88/35/27/916883527.db2.gz AEUVJYIGJJLLAX-SNVBAGLBSA-N 1 2 268.748 1.279 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ncccn1 ZINC001485361890 916883540 /nfs/dbraw/zinc/88/35/40/916883540.db2.gz AEUVJYIGJJLLAX-SNVBAGLBSA-N 1 2 268.748 1.279 20 30 CDEDLO N#Cc1sccc1NC(=O)Cc1cc[nH+]c(N)c1 ZINC001181239598 916906466 /nfs/dbraw/zinc/90/64/66/916906466.db2.gz BYXVAJCNHRKOOH-UHFFFAOYSA-N 1 2 258.306 1.778 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001181512180 917117075 /nfs/dbraw/zinc/11/70/75/917117075.db2.gz YJTUANNEGBICSD-LLVKDONJSA-N 1 2 264.329 1.035 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2csnn2)C1 ZINC001181517929 917163813 /nfs/dbraw/zinc/16/38/13/917163813.db2.gz RQMPFHPZYULXTC-GHMZBOCLSA-N 1 2 280.397 1.756 20 30 CDEDLO Cc1cc(NC/C=C\CNC(=O)[C@H](C)C#N)nc(C2CC2)[nH+]1 ZINC001107081164 917988519 /nfs/dbraw/zinc/98/85/19/917988519.db2.gz YDLIUCKULCRBKC-DLRQAJBASA-N 1 2 299.378 1.906 20 30 CDEDLO CC[C@@H](CC#N)[NH2+][C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001255157207 936507330 /nfs/dbraw/zinc/50/73/30/936507330.db2.gz XSSSMMWCDGTINJ-AAEUAGOBSA-N 1 2 261.325 1.070 20 30 CDEDLO C#Cc1cc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)ccn1 ZINC001183744638 918671324 /nfs/dbraw/zinc/67/13/24/918671324.db2.gz JJCOUTKMYBUNNI-KRWDZBQOSA-N 1 2 291.354 1.698 20 30 CDEDLO C#Cc1cc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)ccn1 ZINC001183744638 918671335 /nfs/dbraw/zinc/67/13/35/918671335.db2.gz JJCOUTKMYBUNNI-KRWDZBQOSA-N 1 2 291.354 1.698 20 30 CDEDLO C#CCOc1ccc(C[N@H+](C)C2COC2)cc1OC ZINC001138345565 936523091 /nfs/dbraw/zinc/52/30/91/936523091.db2.gz JKKJBGUDUCBKGR-UHFFFAOYSA-N 1 2 261.321 1.538 20 30 CDEDLO C#CCOc1ccc(C[N@@H+](C)C2COC2)cc1OC ZINC001138345565 936523092 /nfs/dbraw/zinc/52/30/92/936523092.db2.gz JKKJBGUDUCBKGR-UHFFFAOYSA-N 1 2 261.321 1.538 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCOC(C)C)C1 ZINC001107756229 918739554 /nfs/dbraw/zinc/73/95/54/918739554.db2.gz WVAOTHKVQAFKGM-OAHLLOKOSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCOC(C)C)C1 ZINC001107756229 918739567 /nfs/dbraw/zinc/73/95/67/918739567.db2.gz WVAOTHKVQAFKGM-OAHLLOKOSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCC2CC2)C1 ZINC001107826655 918846775 /nfs/dbraw/zinc/84/67/75/918846775.db2.gz APFUQHUKRWJSMY-OAHLLOKOSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCC2CC2)C1 ZINC001107826655 918846789 /nfs/dbraw/zinc/84/67/89/918846789.db2.gz APFUQHUKRWJSMY-OAHLLOKOSA-N 1 2 266.385 1.570 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CNc1ccc(C#N)cn1 ZINC001107869370 918939690 /nfs/dbraw/zinc/93/96/90/918939690.db2.gz WYONLOVQGIGMII-SNVBAGLBSA-N 1 2 298.350 1.144 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H](C)SC)C1 ZINC001107878654 918971495 /nfs/dbraw/zinc/97/14/95/918971495.db2.gz FURAZJGGCWCYRO-JSGCOSHPSA-N 1 2 286.441 1.521 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H](C)SC)C1 ZINC001107878654 918971508 /nfs/dbraw/zinc/97/15/08/918971508.db2.gz FURAZJGGCWCYRO-JSGCOSHPSA-N 1 2 286.441 1.521 20 30 CDEDLO C#CCOc1ccc(C[NH+]2CC(N3CCOCC3)C2)cc1 ZINC001138558929 936546517 /nfs/dbraw/zinc/54/65/17/936546517.db2.gz KYCOXAUUMDWAHK-UHFFFAOYSA-N 1 2 286.375 1.215 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2CC(OCC)C2)C1 ZINC001107917237 919045755 /nfs/dbraw/zinc/04/57/55/919045755.db2.gz WAKXRYSUNAJCOS-ZBCRRDGASA-N 1 2 296.411 1.195 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2CC(OCC)C2)C1 ZINC001107917237 919045767 /nfs/dbraw/zinc/04/57/67/919045767.db2.gz WAKXRYSUNAJCOS-ZBCRRDGASA-N 1 2 296.411 1.195 20 30 CDEDLO N#Cc1ccncc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212352259 919238984 /nfs/dbraw/zinc/23/89/84/919238984.db2.gz RFEHNXZZNFPTKF-UHFFFAOYSA-N 1 2 281.319 1.928 20 30 CDEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1ncccn1)CC2 ZINC001272794962 919304651 /nfs/dbraw/zinc/30/46/51/919304651.db2.gz XWEWJAYQPSDFGD-CYBMUJFWSA-N 1 2 286.379 1.381 20 30 CDEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ncco1 ZINC001272801001 919321608 /nfs/dbraw/zinc/32/16/08/919321608.db2.gz DXQWIDLYUWYULY-CHWSQXEVSA-N 1 2 288.351 1.544 20 30 CDEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ncco1 ZINC001272801001 919321619 /nfs/dbraw/zinc/32/16/19/919321619.db2.gz DXQWIDLYUWYULY-CHWSQXEVSA-N 1 2 288.351 1.544 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCC(=C)C)C1 ZINC001107973940 919428720 /nfs/dbraw/zinc/42/87/20/919428720.db2.gz FLNPCFHOTCOAAN-OAHLLOKOSA-N 1 2 266.385 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCC(=C)C)C1 ZINC001107973940 919428726 /nfs/dbraw/zinc/42/87/26/919428726.db2.gz FLNPCFHOTCOAAN-OAHLLOKOSA-N 1 2 266.385 1.736 20 30 CDEDLO CCC1(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)COC1 ZINC001202936520 936622341 /nfs/dbraw/zinc/62/23/41/936622341.db2.gz LZRKEUZZKHHIJQ-NSHDSACASA-N 1 2 253.367 1.687 20 30 CDEDLO CCC1(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)COC1 ZINC001202936520 936622343 /nfs/dbraw/zinc/62/23/43/936622343.db2.gz LZRKEUZZKHHIJQ-NSHDSACASA-N 1 2 253.367 1.687 20 30 CDEDLO N#Cc1c(Cl)cccc1C[NH+]1CCC(NC(N)=O)CC1 ZINC001139689715 936636555 /nfs/dbraw/zinc/63/65/55/936636555.db2.gz KRFIABKNQWIPNE-UHFFFAOYSA-N 1 2 292.770 1.844 20 30 CDEDLO Cc1ccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cc1C#N ZINC001139726524 936640182 /nfs/dbraw/zinc/64/01/82/936640182.db2.gz TXKZNWFOJCSFNT-CQSZACIVSA-N 1 2 271.320 1.503 20 30 CDEDLO Cc1ccc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)cc1C#N ZINC001139726524 936640183 /nfs/dbraw/zinc/64/01/83/936640183.db2.gz TXKZNWFOJCSFNT-CQSZACIVSA-N 1 2 271.320 1.503 20 30 CDEDLO C=CCn1cc(C[NH+]2CCN(c3ccncn3)CC2)cn1 ZINC001139771077 936645644 /nfs/dbraw/zinc/64/56/44/936645644.db2.gz NGVITWAMWQYKLW-UHFFFAOYSA-N 1 2 284.367 1.181 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc3[nH]ccc3n2)CC1 ZINC001187419547 920533483 /nfs/dbraw/zinc/53/34/83/920533483.db2.gz PKDKJNOZCRVTED-UHFFFAOYSA-N 1 2 284.363 1.436 20 30 CDEDLO C#CCCC[N@H+]1C[C@]2(F)CN(CC(C)C)C(=O)[C@]2(F)C1 ZINC001273542918 920577370 /nfs/dbraw/zinc/57/73/70/920577370.db2.gz QTWBVUIKQJOZOW-LSDHHAIUSA-N 1 2 284.350 1.630 20 30 CDEDLO C#CCCC[N@@H+]1C[C@]2(F)CN(CC(C)C)C(=O)[C@]2(F)C1 ZINC001273542918 920577381 /nfs/dbraw/zinc/57/73/81/920577381.db2.gz QTWBVUIKQJOZOW-LSDHHAIUSA-N 1 2 284.350 1.630 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)N[C@H](C(=O)OC)[C@@H](C)CC)CC1 ZINC001190141017 921845216 /nfs/dbraw/zinc/84/52/16/921845216.db2.gz SVTYJNRYAKFUEC-STQMWFEESA-N 1 2 297.399 1.087 20 30 CDEDLO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc3nn[nH]c32)C1 ZINC001190307413 921952751 /nfs/dbraw/zinc/95/27/51/921952751.db2.gz JEHYUTQJKYLHMB-GFCCVEGCSA-N 1 2 297.362 1.128 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc3nn[nH]c32)C1 ZINC001190307413 921952760 /nfs/dbraw/zinc/95/27/60/921952760.db2.gz JEHYUTQJKYLHMB-GFCCVEGCSA-N 1 2 297.362 1.128 20 30 CDEDLO C#Cc1ccccc1C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001191116618 922405854 /nfs/dbraw/zinc/40/58/54/922405854.db2.gz KEYDTYYCRCKWDW-UHFFFAOYSA-N 1 2 284.359 1.263 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC=CC2)[C@@H](O)C1 ZINC001090150180 922408782 /nfs/dbraw/zinc/40/87/82/922408782.db2.gz LCVIYBLDWFIOJM-STQMWFEESA-N 1 2 284.787 1.257 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC=CC2)[C@@H](O)C1 ZINC001090150180 922408785 /nfs/dbraw/zinc/40/87/85/922408785.db2.gz LCVIYBLDWFIOJM-STQMWFEESA-N 1 2 284.787 1.257 20 30 CDEDLO N#Cc1cccc2c1CCN2C(=O)Cc1c[nH]c[nH+]1 ZINC001162451597 922630320 /nfs/dbraw/zinc/63/03/20/922630320.db2.gz SAPZLZLBDKMDST-UHFFFAOYSA-N 1 2 252.277 1.413 20 30 CDEDLO C=C/C(C)=C\CC(=O)NC[C@]1(C)C[N@H+](CC#CC)CCO1 ZINC001108137238 922726736 /nfs/dbraw/zinc/72/67/36/922726736.db2.gz YHBHNZPRHLSBQD-XYMPBJBSSA-N 1 2 290.407 1.739 20 30 CDEDLO C=C/C(C)=C\CC(=O)NC[C@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001108137238 922726743 /nfs/dbraw/zinc/72/67/43/922726743.db2.gz YHBHNZPRHLSBQD-XYMPBJBSSA-N 1 2 290.407 1.739 20 30 CDEDLO C[NH+]1CCN(C(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC001192077222 922896654 /nfs/dbraw/zinc/89/66/54/922896654.db2.gz IFDSZNHUWRPTPC-UHFFFAOYSA-N 1 2 297.280 1.965 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC(F)F)[C@H](O)C1 ZINC001099918172 936819082 /nfs/dbraw/zinc/81/90/82/936819082.db2.gz HRNIZAZUXVOYCM-VHSXEESVSA-N 1 2 296.745 1.336 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC(F)F)[C@H](O)C1 ZINC001099918172 936819085 /nfs/dbraw/zinc/81/90/85/936819085.db2.gz HRNIZAZUXVOYCM-VHSXEESVSA-N 1 2 296.745 1.336 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccnc(C(F)F)c2)CC1 ZINC001193648076 923837220 /nfs/dbraw/zinc/83/72/20/923837220.db2.gz IQAOPVDUCOENRA-UHFFFAOYSA-N 1 2 281.306 1.963 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001079416568 924294105 /nfs/dbraw/zinc/29/41/05/924294105.db2.gz HRXWBWAFPBEDEZ-BXKDBHETSA-N 1 2 267.760 1.817 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001079416568 924294109 /nfs/dbraw/zinc/29/41/09/924294109.db2.gz HRXWBWAFPBEDEZ-BXKDBHETSA-N 1 2 267.760 1.817 20 30 CDEDLO N#C[C@]1(C(=O)NCCn2cc[nH+]c2)CC12CCCC2 ZINC001141601457 936910589 /nfs/dbraw/zinc/91/05/89/936910589.db2.gz PNLUZJFQVARXKA-AWEZNQCLSA-N 1 2 258.325 1.473 20 30 CDEDLO CN(CC#N)C(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC001194895309 924383870 /nfs/dbraw/zinc/38/38/70/924383870.db2.gz PZPRGDQHFCKNQB-UHFFFAOYSA-N 1 2 254.293 1.683 20 30 CDEDLO Cn1c[nH+]cc1-c1cccc(C(=O)N2CCO[C@@H](C#N)C2)c1 ZINC001194894623 924384963 /nfs/dbraw/zinc/38/49/63/924384963.db2.gz DPSCVHCJBBQFDC-AWEZNQCLSA-N 1 2 296.330 1.452 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnnn2CC)C1 ZINC001079652229 924392582 /nfs/dbraw/zinc/39/25/82/924392582.db2.gz IBOOJZGKUXNKPQ-MWLCHTKSSA-N 1 2 297.790 1.101 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnnn2CC)C1 ZINC001079652229 924392588 /nfs/dbraw/zinc/39/25/88/924392588.db2.gz IBOOJZGKUXNKPQ-MWLCHTKSSA-N 1 2 297.790 1.101 20 30 CDEDLO C[N@@H+](Cc1cc(Br)ccc1C#N)C[C@H](O)CO ZINC001141897613 936953309 /nfs/dbraw/zinc/95/33/09/936953309.db2.gz XXJHCPGAIFISBK-LBPRGKRZSA-N 1 2 299.168 1.106 20 30 CDEDLO C[N@H+](Cc1cc(Br)ccc1C#N)C[C@H](O)CO ZINC001141897613 936953311 /nfs/dbraw/zinc/95/33/11/936953311.db2.gz XXJHCPGAIFISBK-LBPRGKRZSA-N 1 2 299.168 1.106 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3[nH]ccc3C3CC3)[C@H]2C1 ZINC001083102284 925100871 /nfs/dbraw/zinc/10/08/71/925100871.db2.gz WFAPHGVYKLMGSB-LSDHHAIUSA-N 1 2 299.374 1.051 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3[nH]ccc3C3CC3)[C@H]2C1 ZINC001083102284 925100875 /nfs/dbraw/zinc/10/08/75/925100875.db2.gz WFAPHGVYKLMGSB-LSDHHAIUSA-N 1 2 299.374 1.051 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(CC)[nH]n3)[C@@H]2C1 ZINC001084198831 925181442 /nfs/dbraw/zinc/18/14/42/925181442.db2.gz DVPZLYFGZJTBEA-BXUZGUMPSA-N 1 2 274.368 1.304 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(CC)[nH]n3)[C@@H]2C1 ZINC001084198831 925181445 /nfs/dbraw/zinc/18/14/45/925181445.db2.gz DVPZLYFGZJTBEA-BXUZGUMPSA-N 1 2 274.368 1.304 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)OC)[C@@H]2C1 ZINC001084225471 925193593 /nfs/dbraw/zinc/19/35/93/925193593.db2.gz MFVCLVCYRVCWJZ-JHJVBQTASA-N 1 2 286.803 1.697 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)OC)[C@@H]2C1 ZINC001084225471 925193599 /nfs/dbraw/zinc/19/35/99/925193599.db2.gz MFVCLVCYRVCWJZ-JHJVBQTASA-N 1 2 286.803 1.697 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCO3)[C@@H]2C1 ZINC001084281551 925214759 /nfs/dbraw/zinc/21/47/59/925214759.db2.gz UIHKKIBTXLBJJS-MGPQQGTHSA-N 1 2 298.814 1.841 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCO3)[C@@H]2C1 ZINC001084281551 925214761 /nfs/dbraw/zinc/21/47/61/925214761.db2.gz UIHKKIBTXLBJJS-MGPQQGTHSA-N 1 2 298.814 1.841 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2n[nH]c3c2CC[C@H]3C)CC1 ZINC001198441499 925434836 /nfs/dbraw/zinc/43/48/36/925434836.db2.gz ZBTUAIGMZMTOAW-LLVKDONJSA-N 1 2 274.368 1.403 20 30 CDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1nc(C)no1 ZINC001273816506 925998999 /nfs/dbraw/zinc/99/89/99/925998999.db2.gz UPHVFAAQYXVLRP-CHWSQXEVSA-N 1 2 290.367 1.519 20 30 CDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1nc(C)no1 ZINC001273816506 925999004 /nfs/dbraw/zinc/99/90/04/925999004.db2.gz UPHVFAAQYXVLRP-CHWSQXEVSA-N 1 2 290.367 1.519 20 30 CDEDLO Cc1nc(N2CC[C@@H](CCNC(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001102301578 937051284 /nfs/dbraw/zinc/05/12/84/937051284.db2.gz FZHOKHLSILVXDJ-DGCLKSJQSA-N 1 2 287.367 1.277 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1coc(CC)n1 ZINC001085557297 926149774 /nfs/dbraw/zinc/14/97/74/926149774.db2.gz OLEYLBDWUBHEGZ-LBPRGKRZSA-N 1 2 275.352 1.407 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1coc(CC)n1 ZINC001085557297 926149778 /nfs/dbraw/zinc/14/97/78/926149778.db2.gz OLEYLBDWUBHEGZ-LBPRGKRZSA-N 1 2 275.352 1.407 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2c(o1)CCCC2 ZINC001085637475 926246614 /nfs/dbraw/zinc/24/66/14/926246614.db2.gz QJMWNCDBEVTPIK-AWEZNQCLSA-N 1 2 286.375 1.938 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2c(o1)CCCC2 ZINC001085637475 926246620 /nfs/dbraw/zinc/24/66/20/926246620.db2.gz QJMWNCDBEVTPIK-AWEZNQCLSA-N 1 2 286.375 1.938 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(C)(C)C)on1 ZINC001085718294 926320755 /nfs/dbraw/zinc/32/07/55/926320755.db2.gz NFCJYHIEBZXCHO-LBPRGKRZSA-N 1 2 289.379 1.752 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(C)(C)C)on1 ZINC001085718294 926320760 /nfs/dbraw/zinc/32/07/60/926320760.db2.gz NFCJYHIEBZXCHO-LBPRGKRZSA-N 1 2 289.379 1.752 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2ncccc2o1 ZINC001085729336 926328832 /nfs/dbraw/zinc/32/88/32/926328832.db2.gz UQIFZULAYPUPMY-LBPRGKRZSA-N 1 2 283.331 1.607 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2ncccc2o1 ZINC001085729336 926328839 /nfs/dbraw/zinc/32/88/39/926328839.db2.gz UQIFZULAYPUPMY-LBPRGKRZSA-N 1 2 283.331 1.607 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1csc2cncn21 ZINC001085852563 926451155 /nfs/dbraw/zinc/45/11/55/926451155.db2.gz AFBGCDDJQAIDGV-NSHDSACASA-N 1 2 288.376 1.175 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1csc2cncn21 ZINC001085852563 926451158 /nfs/dbraw/zinc/45/11/58/926451158.db2.gz AFBGCDDJQAIDGV-NSHDSACASA-N 1 2 288.376 1.175 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccnc(C2CC2)n1 ZINC001085852262 926451480 /nfs/dbraw/zinc/45/14/80/926451480.db2.gz RXWFWCAREAARNY-AWEZNQCLSA-N 1 2 298.390 1.524 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccnc(C2CC2)n1 ZINC001085852262 926451489 /nfs/dbraw/zinc/45/14/89/926451489.db2.gz RXWFWCAREAARNY-AWEZNQCLSA-N 1 2 298.390 1.524 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nc(C)oc1C ZINC001085886954 926482079 /nfs/dbraw/zinc/48/20/79/926482079.db2.gz MHNATLLGKCWHEF-GFCCVEGCSA-N 1 2 261.325 1.071 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nc(C)oc1C ZINC001085886954 926482081 /nfs/dbraw/zinc/48/20/81/926482081.db2.gz MHNATLLGKCWHEF-GFCCVEGCSA-N 1 2 261.325 1.071 20 30 CDEDLO CC[C@@H](CNC(=O)[C@H](C)C#N)Nc1cc[nH+]c(C)n1 ZINC001103029241 937114744 /nfs/dbraw/zinc/11/47/44/937114744.db2.gz PMGMAYHEVRRVGT-KOLCDFICSA-N 1 2 261.329 1.251 20 30 CDEDLO COC(=O)[C@H]1CC[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143164204 937127199 /nfs/dbraw/zinc/12/71/99/937127199.db2.gz BMXPORWJKLUEKD-JTQLQIEISA-N 1 2 280.274 1.831 20 30 CDEDLO COC(=O)[C@H]1CC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143164204 937127200 /nfs/dbraw/zinc/12/72/00/937127200.db2.gz BMXPORWJKLUEKD-JTQLQIEISA-N 1 2 280.274 1.831 20 30 CDEDLO Cc1nc(NCC2(NC(=O)[C@H](C)C#N)CCCC2)cc[nH+]1 ZINC001103418255 937140752 /nfs/dbraw/zinc/14/07/52/937140752.db2.gz ZHIVTJJXYMYYDG-LLVKDONJSA-N 1 2 287.367 1.786 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1c(C)cnn1C ZINC001439365387 927283949 /nfs/dbraw/zinc/28/39/49/927283949.db2.gz QAPJFKCFUFCZKO-NSHDSACASA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1c(C)cnn1C ZINC001439365387 927283955 /nfs/dbraw/zinc/28/39/55/927283955.db2.gz QAPJFKCFUFCZKO-NSHDSACASA-N 1 2 284.791 1.531 20 30 CDEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001153097887 927471218 /nfs/dbraw/zinc/47/12/18/927471218.db2.gz VILXBCXSRAWJOT-LBPRGKRZSA-N 1 2 281.356 1.088 20 30 CDEDLO CC1(C)CN(C[N@@H+]2CCC[C@H](CC#N)C2)C(=O)O1 ZINC000853523889 928037864 /nfs/dbraw/zinc/03/78/64/928037864.db2.gz IIIBIVZFLVZBNQ-LLVKDONJSA-N 1 2 251.330 1.800 20 30 CDEDLO CC1(C)CN(C[N@H+]2CCC[C@H](CC#N)C2)C(=O)O1 ZINC000853523889 928037877 /nfs/dbraw/zinc/03/78/77/928037877.db2.gz IIIBIVZFLVZBNQ-LLVKDONJSA-N 1 2 251.330 1.800 20 30 CDEDLO CCOc1cc(Cl)nc(N2CC[NH2+]C[C@@H]2C#N)c1 ZINC001156320335 928040513 /nfs/dbraw/zinc/04/05/13/928040513.db2.gz XXUIENLWFWACQI-VIFPVBQESA-N 1 2 266.732 1.435 20 30 CDEDLO Cc1nc(C)c(N2CC[NH2+]C[C@@H]2C#N)c(Cl)n1 ZINC001156320047 928042059 /nfs/dbraw/zinc/04/20/59/928042059.db2.gz NWDMRWNEYHBZKV-VIFPVBQESA-N 1 2 251.721 1.049 20 30 CDEDLO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[NH2+]C[C@@H]1C#N ZINC001156320111 928042300 /nfs/dbraw/zinc/04/23/00/928042300.db2.gz RAHFGOGEAXAGGO-VIFPVBQESA-N 1 2 297.696 1.453 20 30 CDEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(=O)C(C)(C)C)C2 ZINC001109099102 928791707 /nfs/dbraw/zinc/79/17/07/928791707.db2.gz LIXMPCOTMBLKAY-AGIUHOORSA-N 1 2 276.380 1.346 20 30 CDEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(=O)C(C)(C)C)C2 ZINC001109099102 928791716 /nfs/dbraw/zinc/79/17/16/928791716.db2.gz LIXMPCOTMBLKAY-AGIUHOORSA-N 1 2 276.380 1.346 20 30 CDEDLO C=CCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nccn1C ZINC001152353312 937354804 /nfs/dbraw/zinc/35/48/04/937354804.db2.gz VVTFVVAWRWAJNY-CYBMUJFWSA-N 1 2 278.400 1.713 20 30 CDEDLO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccn1C ZINC001152353312 937354806 /nfs/dbraw/zinc/35/48/06/937354806.db2.gz VVTFVVAWRWAJNY-CYBMUJFWSA-N 1 2 278.400 1.713 20 30 CDEDLO C#CC[N@@H+](CC)[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001153477168 937447354 /nfs/dbraw/zinc/44/73/54/937447354.db2.gz GYJXJZNEMCOLAP-BDAKNGLRSA-N 1 2 268.254 1.347 20 30 CDEDLO C#CC[N@H+](CC)[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001153477168 937447356 /nfs/dbraw/zinc/44/73/56/937447356.db2.gz GYJXJZNEMCOLAP-BDAKNGLRSA-N 1 2 268.254 1.347 20 30 CDEDLO C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](F)C(F)(F)F ZINC001153477168 937447357 /nfs/dbraw/zinc/44/73/57/937447357.db2.gz GYJXJZNEMCOLAP-BDAKNGLRSA-N 1 2 268.254 1.347 20 30 CDEDLO C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](F)C(F)(F)F ZINC001153477168 937447359 /nfs/dbraw/zinc/44/73/59/937447359.db2.gz GYJXJZNEMCOLAP-BDAKNGLRSA-N 1 2 268.254 1.347 20 30 CDEDLO C[C@@]1(CO)CC[N@H+](Cc2c(Cl)cccc2C#N)C[C@H]1O ZINC001143716634 931522148 /nfs/dbraw/zinc/52/21/48/931522148.db2.gz SUMCBTBGKIUIQQ-CABCVRRESA-N 1 2 294.782 1.777 20 30 CDEDLO C[C@@]1(CO)CC[N@@H+](Cc2c(Cl)cccc2C#N)C[C@H]1O ZINC001143716634 931522151 /nfs/dbraw/zinc/52/21/51/931522151.db2.gz SUMCBTBGKIUIQQ-CABCVRRESA-N 1 2 294.782 1.777 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171116314 931573927 /nfs/dbraw/zinc/57/39/27/931573927.db2.gz NHZFXCXEBSBHSF-CABCVRRESA-N 1 2 275.783 1.995 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c(F)ccc(OC)c2F)CC1 ZINC001143981089 931617306 /nfs/dbraw/zinc/61/73/06/931617306.db2.gz ZUMZIQFDAZCUFX-UHFFFAOYSA-N 1 2 280.318 1.724 20 30 CDEDLO C#CCOCCOCCNc1nc(C)[nH+]c2c1CCC2 ZINC001160671297 931963776 /nfs/dbraw/zinc/96/37/76/931963776.db2.gz LPLKAEWYHZZLCO-UHFFFAOYSA-N 1 2 275.352 1.352 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CC[C@H]2CCCO2)CC1 ZINC001313442904 932113894 /nfs/dbraw/zinc/11/38/94/932113894.db2.gz GPGRBQLCQIQYAV-CYBMUJFWSA-N 1 2 252.358 1.276 20 30 CDEDLO COc1nc(C)ccc1NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001171258459 932170437 /nfs/dbraw/zinc/17/04/37/932170437.db2.gz AESMEIALSPMSLZ-UHFFFAOYSA-N 1 2 284.319 1.535 20 30 CDEDLO CCCCc1nc(C[NH2+]CCCNC(=O)[C@H](C)C#N)no1 ZINC001155827627 937677617 /nfs/dbraw/zinc/67/76/17/937677617.db2.gz CSWNZZZNFJZMGA-LLVKDONJSA-N 1 2 293.371 1.168 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnns3)C[C@H]21 ZINC001114757248 934955137 /nfs/dbraw/zinc/95/51/37/934955137.db2.gz HZFIPISOSRLHBE-IMRBUKKESA-N 1 2 292.408 1.441 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnns3)C[C@H]21 ZINC001114757248 934955142 /nfs/dbraw/zinc/95/51/42/934955142.db2.gz HZFIPISOSRLHBE-IMRBUKKESA-N 1 2 292.408 1.441 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@]12CCOC2 ZINC001018152310 935661496 /nfs/dbraw/zinc/66/14/96/935661496.db2.gz KWACCNXNQQCPFO-IVSAIRAKSA-N 1 2 288.391 1.112 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@]12CCOC2 ZINC001018152310 935661499 /nfs/dbraw/zinc/66/14/99/935661499.db2.gz KWACCNXNQQCPFO-IVSAIRAKSA-N 1 2 288.391 1.112 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc(C)n2ccccc12 ZINC001038511113 935747140 /nfs/dbraw/zinc/74/71/40/935747140.db2.gz KMDGGXHGRYDPIO-CQSZACIVSA-N 1 2 296.374 1.470 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1nc(C)n2ccccc12 ZINC001038511113 935747142 /nfs/dbraw/zinc/74/71/42/935747142.db2.gz KMDGGXHGRYDPIO-CQSZACIVSA-N 1 2 296.374 1.470 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2ccc(F)cc2c1 ZINC001038881026 935760699 /nfs/dbraw/zinc/76/06/99/935760699.db2.gz NFDMDNXOGRLHTA-OAHLLOKOSA-N 1 2 297.333 1.811 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2ccc(F)cc2c1 ZINC001038881026 935760701 /nfs/dbraw/zinc/76/07/01/935760701.db2.gz NFDMDNXOGRLHTA-OAHLLOKOSA-N 1 2 297.333 1.811 20 30 CDEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2c(C)n[nH]c2C)CC1 ZINC001139100509 936025220 /nfs/dbraw/zinc/02/52/20/936025220.db2.gz KZAXQEZDLUYOQU-UHFFFAOYSA-N 1 2 290.367 1.695 20 30 CDEDLO Cc1nc(Cl)cc(N2CC[NH2+]C[C@@H]2C#N)c1C ZINC001156319802 938351313 /nfs/dbraw/zinc/35/13/13/938351313.db2.gz GHUBABUKRGTEDF-JTQLQIEISA-N 1 2 250.733 1.654 20 30 CDEDLO COC(=O)c1cc2ccccc2c(N2CC[NH2+]C[C@@H]2C#N)n1 ZINC001156327788 938352321 /nfs/dbraw/zinc/35/23/21/938352321.db2.gz LUGRUUQXKOLYIM-LBPRGKRZSA-N 1 2 296.330 1.323 20 30 CDEDLO CC(C)COc1cccc(N2CC[NH2+]C[C@@H]2C#N)n1 ZINC001156327936 938353052 /nfs/dbraw/zinc/35/30/52/938353052.db2.gz UCUDIBFQKUNLSU-LBPRGKRZSA-N 1 2 260.341 1.418 20 30 CDEDLO Cc1nc(C#N)c(NC(=O)c2ccc3[nH+]c(N)[nH]c3c2)o1 ZINC001156963918 938439228 /nfs/dbraw/zinc/43/92/28/938439228.db2.gz BIYKJLCHVOAITD-UHFFFAOYSA-N 1 2 282.263 1.566 20 30 CDEDLO N#Cc1cnc(NC(=O)c2ccc3[nH+]c(N)[nH]c3c2)cn1 ZINC001156964172 938439471 /nfs/dbraw/zinc/43/94/71/938439471.db2.gz LTKBJAONQALOAX-UHFFFAOYSA-N 1 2 279.263 1.059 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1nccc(C)c1C#N ZINC001157460154 938495357 /nfs/dbraw/zinc/49/53/57/938495357.db2.gz PZSBMFRHRHTMHN-UHFFFAOYSA-N 1 2 255.325 1.985 20 30 CDEDLO C#C[C@](C)([NH3+])C(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC001157616745 938520856 /nfs/dbraw/zinc/52/08/56/938520856.db2.gz XFIIZJMGVBPMHS-VKJFTORMSA-N 1 2 299.418 1.458 20 30 CDEDLO N#Cc1ncc(Cl)nc1NCC1([NH+]2CCCC2)COC1 ZINC001157650019 938526401 /nfs/dbraw/zinc/52/64/01/938526401.db2.gz IMVLJPSGISIGPX-UHFFFAOYSA-N 1 2 293.758 1.278 20 30 CDEDLO COCc1cc[nH+]c(N2CCC(C#N)(C(=O)OC)CC2)c1 ZINC001158690522 938650899 /nfs/dbraw/zinc/65/08/99/938650899.db2.gz VHKLCBWDNZCSRG-UHFFFAOYSA-N 1 2 289.335 1.511 20 30 CDEDLO N#Cc1c(Cl)ncnc1NC1CN(c2cccc[nH+]2)C1 ZINC001161319083 938888269 /nfs/dbraw/zinc/88/82/69/938888269.db2.gz JXKFXFIJZNQLNQ-UHFFFAOYSA-N 1 2 286.726 1.697 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2cccc3[nH]c(C#N)cc32)C[NH2+]1 ZINC001164308396 939450605 /nfs/dbraw/zinc/45/06/05/939450605.db2.gz IINAJMNLNSUFOM-HZMBPMFUSA-N 1 2 284.319 1.355 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)Oc1ccc(Cl)nc1 ZINC001164640525 939500596 /nfs/dbraw/zinc/50/05/96/939500596.db2.gz BJMHCTXDOKJZRE-QMMMGPOBSA-N 1 2 288.685 1.461 20 30 CDEDLO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001205502465 939894779 /nfs/dbraw/zinc/89/47/79/939894779.db2.gz YCCCUGLTQLODKK-AWEZNQCLSA-N 1 2 275.327 1.798 20 30 CDEDLO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001205502465 939894782 /nfs/dbraw/zinc/89/47/82/939894782.db2.gz YCCCUGLTQLODKK-AWEZNQCLSA-N 1 2 275.327 1.798 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2coc(C)n2)C[C@H]1C ZINC001206537533 940057548 /nfs/dbraw/zinc/05/75/48/940057548.db2.gz XRWFSNDQIJRUGP-BXUZGUMPSA-N 1 2 277.368 1.886 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2coc(C)n2)C[C@H]1C ZINC001206537533 940057553 /nfs/dbraw/zinc/05/75/53/940057553.db2.gz XRWFSNDQIJRUGP-BXUZGUMPSA-N 1 2 277.368 1.886 20 30 CDEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)on2)C[C@H]1C ZINC001206607604 940070975 /nfs/dbraw/zinc/07/09/75/940070975.db2.gz SDLUSRCENIUJAZ-BXUZGUMPSA-N 1 2 293.367 1.122 20 30 CDEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)on2)C[C@H]1C ZINC001206607604 940070980 /nfs/dbraw/zinc/07/09/80/940070980.db2.gz SDLUSRCENIUJAZ-BXUZGUMPSA-N 1 2 293.367 1.122 20 30 CDEDLO CN(C1C[NH+](CCc2ccc(C#N)cc2)C1)[C@H]1CCOC1 ZINC001208927483 940407914 /nfs/dbraw/zinc/40/79/14/940407914.db2.gz KXVBDFJBAPIKDO-INIZCTEOSA-N 1 2 285.391 1.506 20 30 CDEDLO C=CCN(CC[N@@H+]1CCCC(=O)CC1)C(=O)OCC ZINC001209020144 940424284 /nfs/dbraw/zinc/42/42/84/940424284.db2.gz WULXGTPGGRADPB-UHFFFAOYSA-N 1 2 268.357 1.686 20 30 CDEDLO C=CCN(CC[N@H+]1CCCC(=O)CC1)C(=O)OCC ZINC001209020144 940424288 /nfs/dbraw/zinc/42/42/88/940424288.db2.gz WULXGTPGGRADPB-UHFFFAOYSA-N 1 2 268.357 1.686 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CCC)CCC2)[C@H](OC)C1 ZINC001213305781 940768436 /nfs/dbraw/zinc/76/84/36/940768436.db2.gz RCYVFZFKQFAQBF-ZIAGYGMSSA-N 1 2 278.396 1.405 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CCC)CCC2)[C@H](OC)C1 ZINC001213305781 940768438 /nfs/dbraw/zinc/76/84/38/940768438.db2.gz RCYVFZFKQFAQBF-ZIAGYGMSSA-N 1 2 278.396 1.405 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CCC)CC2)[C@H](OC)C1 ZINC001213409745 940773741 /nfs/dbraw/zinc/77/37/41/940773741.db2.gz PCMXCKPPHUIUFN-CHWSQXEVSA-N 1 2 264.369 1.015 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CCC)CC2)[C@H](OC)C1 ZINC001213409745 940773743 /nfs/dbraw/zinc/77/37/43/940773743.db2.gz PCMXCKPPHUIUFN-CHWSQXEVSA-N 1 2 264.369 1.015 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H](CC)C(C)C)[C@H]2C1 ZINC001219000921 941300250 /nfs/dbraw/zinc/30/02/50/941300250.db2.gz GUNCPJGAKKKKQG-OWCLPIDISA-N 1 2 292.423 1.604 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H](CC)C(C)C)[C@H]2C1 ZINC001219000921 941300253 /nfs/dbraw/zinc/30/02/53/941300253.db2.gz GUNCPJGAKKKKQG-OWCLPIDISA-N 1 2 292.423 1.604 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)CCCCCC)[C@@H](O)C1 ZINC001220128094 941413914 /nfs/dbraw/zinc/41/39/14/941413914.db2.gz SGDCJJSFXSTWPR-XHSDSOJGSA-N 1 2 294.439 1.778 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)CCCCCC)[C@@H](O)C1 ZINC001220128094 941413915 /nfs/dbraw/zinc/41/39/15/941413915.db2.gz SGDCJJSFXSTWPR-XHSDSOJGSA-N 1 2 294.439 1.778 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](F)CC)C[C@@H]1O ZINC001220134106 941414685 /nfs/dbraw/zinc/41/46/85/941414685.db2.gz YDFYWDKFQFGNRL-UPJWGTAASA-N 1 2 286.391 1.498 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](F)CC)C[C@@H]1O ZINC001220134106 941414686 /nfs/dbraw/zinc/41/46/86/941414686.db2.gz YDFYWDKFQFGNRL-UPJWGTAASA-N 1 2 286.391 1.498 20 30 CDEDLO COc1ccc(OC)c(/C(=N/O)O[C@H](C)C[NH+](C)C)c1 ZINC001223893052 941704553 /nfs/dbraw/zinc/70/45/53/941704553.db2.gz PQFLDQCSHIXIMH-ZEIZSXSISA-N 1 2 282.340 1.806 20 30 CDEDLO C#CCCC[N@H+]1CCc2c([nH]nc2C(=O)NC(C)(C)C)C1 ZINC001276978852 941766417 /nfs/dbraw/zinc/76/64/17/941766417.db2.gz SHNMEVHHOAPUET-UHFFFAOYSA-N 1 2 288.395 1.710 20 30 CDEDLO C#CCCC[N@@H+]1CCc2c([nH]nc2C(=O)NC(C)(C)C)C1 ZINC001276978852 941766420 /nfs/dbraw/zinc/76/64/20/941766420.db2.gz SHNMEVHHOAPUET-UHFFFAOYSA-N 1 2 288.395 1.710 20 30 CDEDLO C=CCOCC(=O)NC1CC[NH+](Cc2coc(C)n2)CC1 ZINC001226598806 942033069 /nfs/dbraw/zinc/03/30/69/942033069.db2.gz LBNKODLEMKITDA-UHFFFAOYSA-N 1 2 293.367 1.266 20 30 CDEDLO Cc1nc(C[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)c(C)o1 ZINC001226640460 942040196 /nfs/dbraw/zinc/04/01/96/942040196.db2.gz NKWBWLVWCTYSAE-SNVBAGLBSA-N 1 2 290.367 1.532 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc(Cl)ncc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226740968 942061556 /nfs/dbraw/zinc/06/15/56/942061556.db2.gz LRFLDQMVOCVNLM-TZYSGJHYSA-N 1 2 285.706 1.260 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc(Cl)ncc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226740968 942061563 /nfs/dbraw/zinc/06/15/63/942061563.db2.gz LRFLDQMVOCVNLM-TZYSGJHYSA-N 1 2 285.706 1.260 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(F)ccn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226765400 942066029 /nfs/dbraw/zinc/06/60/29/942066029.db2.gz RFARIXJKLCADQC-NJFCNUMCSA-N 1 2 250.273 1.212 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(F)ccn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226765400 942066033 /nfs/dbraw/zinc/06/60/33/942066033.db2.gz RFARIXJKLCADQC-NJFCNUMCSA-N 1 2 250.273 1.212 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4cc[nH]c4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226808161 942074754 /nfs/dbraw/zinc/07/47/54/942074754.db2.gz QHTNLDUOALBGDM-GQTXGERZSA-N 1 2 271.320 1.554 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4cc[nH]c4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226808161 942074758 /nfs/dbraw/zinc/07/47/58/942074758.db2.gz QHTNLDUOALBGDM-GQTXGERZSA-N 1 2 271.320 1.554 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncncc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226987351 942108271 /nfs/dbraw/zinc/10/82/71/942108271.db2.gz WATLQNSLNRLYOW-FRQULTQSSA-N 1 2 267.716 1.121 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncncc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226987351 942108275 /nfs/dbraw/zinc/10/82/75/942108275.db2.gz WATLQNSLNRLYOW-FRQULTQSSA-N 1 2 267.716 1.121 20 30 CDEDLO CC(C)(C)C#CC(=O)NC1CC[NH+](Cc2ccon2)CC1 ZINC001227281186 942163473 /nfs/dbraw/zinc/16/34/73/942163473.db2.gz OXAMNIJVGSFUCQ-UHFFFAOYSA-N 1 2 289.379 1.805 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(F)nc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228534356 942332572 /nfs/dbraw/zinc/33/25/72/942332572.db2.gz JPYXXJIUIUOAJU-NTBMCGCHSA-N 1 2 268.263 1.351 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(F)nc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228534356 942332577 /nfs/dbraw/zinc/33/25/77/942332577.db2.gz JPYXXJIUIUOAJU-NTBMCGCHSA-N 1 2 268.263 1.351 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cnc(C)nc1 ZINC001231169487 942808408 /nfs/dbraw/zinc/80/84/08/942808408.db2.gz HOTQHWHFYDJMMA-OAHLLOKOSA-N 1 2 288.395 1.784 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cnc(C)nc1 ZINC001231169487 942808411 /nfs/dbraw/zinc/80/84/11/942808411.db2.gz HOTQHWHFYDJMMA-OAHLLOKOSA-N 1 2 288.395 1.784 20 30 CDEDLO C#Cc1cccc(C[N@H+]2CCOC[C@H]2CCC(=O)OC)c1 ZINC001231663088 942964546 /nfs/dbraw/zinc/96/45/46/942964546.db2.gz IRAFDRQVHXEHCB-MRXNPFEDSA-N 1 2 287.359 1.822 20 30 CDEDLO C#Cc1cccc(C[N@@H+]2CCOC[C@H]2CCC(=O)OC)c1 ZINC001231663088 942964551 /nfs/dbraw/zinc/96/45/51/942964551.db2.gz IRAFDRQVHXEHCB-MRXNPFEDSA-N 1 2 287.359 1.822 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](O)C(C)C ZINC001498268247 973800843 /nfs/dbraw/zinc/80/08/43/973800843.db2.gz DDPFUSALGMBXAT-WDEREUQCSA-N 1 2 262.781 1.192 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H](O)C(C)C ZINC001498268247 973800853 /nfs/dbraw/zinc/80/08/53/973800853.db2.gz DDPFUSALGMBXAT-WDEREUQCSA-N 1 2 262.781 1.192 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(OCC)ccn2)CC1 ZINC001232584753 943334402 /nfs/dbraw/zinc/33/44/02/943334402.db2.gz MBDBTLGBVPOMPV-UHFFFAOYSA-N 1 2 259.353 1.231 20 30 CDEDLO COC(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2O)CC1 ZINC001232675663 943355858 /nfs/dbraw/zinc/35/58/58/943355858.db2.gz SAJCTQDOPPIBBF-UHFFFAOYSA-N 1 2 289.335 1.538 20 30 CDEDLO COC(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2O)CC1 ZINC001232675663 943355866 /nfs/dbraw/zinc/35/58/66/943355866.db2.gz SAJCTQDOPPIBBF-UHFFFAOYSA-N 1 2 289.335 1.538 20 30 CDEDLO COC(=O)[C@H]1C[N@H+](Cc2cc(C#N)ccc2O)CCCO1 ZINC001232677949 943358671 /nfs/dbraw/zinc/35/86/71/943358671.db2.gz MEWWCWHTVURTOX-CQSZACIVSA-N 1 2 290.319 1.028 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(C#N)ccc2O)CCCO1 ZINC001232677949 943358676 /nfs/dbraw/zinc/35/86/76/943358676.db2.gz MEWWCWHTVURTOX-CQSZACIVSA-N 1 2 290.319 1.028 20 30 CDEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CCC(=O)O3)CC2)c1 ZINC001232679127 943361355 /nfs/dbraw/zinc/36/13/55/943361355.db2.gz DAVQMHMGQZIFEU-UHFFFAOYSA-N 1 2 286.331 1.935 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c1 ZINC001232679085 943361793 /nfs/dbraw/zinc/36/17/93/943361793.db2.gz ZVSQBJDWGQOHBO-IUODEOHRSA-N 1 2 258.321 1.875 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)c1 ZINC001232679085 943361797 /nfs/dbraw/zinc/36/17/97/943361797.db2.gz ZVSQBJDWGQOHBO-IUODEOHRSA-N 1 2 258.321 1.875 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)c(O)c1 ZINC001233384366 943571678 /nfs/dbraw/zinc/57/16/78/943571678.db2.gz SMYDTYJOASDZBZ-XNRPHZJLSA-N 1 2 288.347 1.236 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)c(O)c1 ZINC001233384366 943571683 /nfs/dbraw/zinc/57/16/83/943571683.db2.gz SMYDTYJOASDZBZ-XNRPHZJLSA-N 1 2 288.347 1.236 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC1(C)C ZINC001233673595 943637958 /nfs/dbraw/zinc/63/79/58/943637958.db2.gz GMUAHXKJKUNRHO-ZIAGYGMSSA-N 1 2 278.396 1.215 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC1(C)C ZINC001233673595 943637960 /nfs/dbraw/zinc/63/79/60/943637960.db2.gz GMUAHXKJKUNRHO-ZIAGYGMSSA-N 1 2 278.396 1.215 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@H]2CN(C)C(=O)C#CC(C)C)on1 ZINC001234118914 943746284 /nfs/dbraw/zinc/74/62/84/943746284.db2.gz MVSDMSYWCCYVEN-AWEZNQCLSA-N 1 2 289.379 1.675 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@H]2CN(C)C(=O)C#CC(C)C)on1 ZINC001234118914 943746285 /nfs/dbraw/zinc/74/62/85/943746285.db2.gz MVSDMSYWCCYVEN-AWEZNQCLSA-N 1 2 289.379 1.675 20 30 CDEDLO C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001234426524 943834000 /nfs/dbraw/zinc/83/40/00/943834000.db2.gz WIBWZHDSXOYNES-NXEZZACHSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001234426524 943834003 /nfs/dbraw/zinc/83/40/03/943834003.db2.gz WIBWZHDSXOYNES-NXEZZACHSA-N 1 2 282.281 1.996 20 30 CDEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)[C@H](C)OC ZINC001234587168 943903427 /nfs/dbraw/zinc/90/34/27/943903427.db2.gz XBNSLPWCITVYND-JTQLQIEISA-N 1 2 293.205 1.368 20 30 CDEDLO C=C(Br)C[N@H+](C)CCCNC(=O)[C@H](C)OC ZINC001234587168 943903434 /nfs/dbraw/zinc/90/34/34/943903434.db2.gz XBNSLPWCITVYND-JTQLQIEISA-N 1 2 293.205 1.368 20 30 CDEDLO N#CCC[N@H+]1CC[C@H]2CN(C(=O)NCC(F)(F)F)C[C@H]21 ZINC001277941242 944138914 /nfs/dbraw/zinc/13/89/14/944138914.db2.gz LQMCBYKWFORVEJ-VHSXEESVSA-N 1 2 290.289 1.178 20 30 CDEDLO N#CCC[N@@H+]1CC[C@H]2CN(C(=O)NCC(F)(F)F)C[C@H]21 ZINC001277941242 944138919 /nfs/dbraw/zinc/13/89/19/944138919.db2.gz LQMCBYKWFORVEJ-VHSXEESVSA-N 1 2 290.289 1.178 20 30 CDEDLO CCC(=O)N1CC[NH+](Cc2ccccc2CC#N)CC1 ZINC001235513149 944181033 /nfs/dbraw/zinc/18/10/33/944181033.db2.gz ZYIRKBJWXPQRMG-UHFFFAOYSA-N 1 2 271.364 1.807 20 30 CDEDLO N#CCc1ccccc1C[N@H+]1CC(=O)N2CCC[C@@H]2C1 ZINC001235524917 944186889 /nfs/dbraw/zinc/18/68/89/944186889.db2.gz CJEZIFBKBMGJHZ-OAHLLOKOSA-N 1 2 269.348 1.559 20 30 CDEDLO N#CCc1ccccc1C[N@@H+]1CC(=O)N2CCC[C@@H]2C1 ZINC001235524917 944186893 /nfs/dbraw/zinc/18/68/93/944186893.db2.gz CJEZIFBKBMGJHZ-OAHLLOKOSA-N 1 2 269.348 1.559 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[C@H](C)[NH2+]Cc1noc(CC)n1 ZINC001266166881 944728063 /nfs/dbraw/zinc/72/80/63/944728063.db2.gz KCFQAVYOQKBPBM-NSHDSACASA-N 1 2 294.399 1.829 20 30 CDEDLO COC[C@@H]1COCC[N@@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237472533 944800512 /nfs/dbraw/zinc/80/05/12/944800512.db2.gz IZMMCSYAAJCLJJ-OAHLLOKOSA-N 1 2 299.374 1.897 20 30 CDEDLO COC[C@@H]1COCC[N@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237472533 944800517 /nfs/dbraw/zinc/80/05/17/944800517.db2.gz IZMMCSYAAJCLJJ-OAHLLOKOSA-N 1 2 299.374 1.897 20 30 CDEDLO C[C@]1(O)COCC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237747537 944945960 /nfs/dbraw/zinc/94/59/60/944945960.db2.gz XMTIXJXOJAXDSZ-CQSZACIVSA-N 1 2 280.755 1.795 20 30 CDEDLO C[C@]1(O)COCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237747537 944945965 /nfs/dbraw/zinc/94/59/65/944945965.db2.gz XMTIXJXOJAXDSZ-CQSZACIVSA-N 1 2 280.755 1.795 20 30 CDEDLO C=CCS(=O)(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC001259927053 945710733 /nfs/dbraw/zinc/71/07/33/945710733.db2.gz MDCLWSZNSKEHBT-UHFFFAOYSA-N 1 2 294.420 1.363 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1C1CCN(c2ccc(F)cc2)CC1 ZINC001254625456 947560899 /nfs/dbraw/zinc/56/08/99/947560899.db2.gz JJAUQKPQCSFQOV-INIZCTEOSA-N 1 2 288.370 1.592 20 30 CDEDLO CCOC(=O)[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CCOCC1 ZINC001254645277 947568948 /nfs/dbraw/zinc/56/89/48/947568948.db2.gz BLXQWUQTUGGUJF-IACUBPJLSA-N 1 2 280.368 1.627 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@@H](Oc2nccc(C)n2)C1 ZINC001255176870 947765769 /nfs/dbraw/zinc/76/57/69/947765769.db2.gz HLAHXJJYQIVBMI-QWHCGFSZSA-N 1 2 260.341 1.930 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CC[C@@H](Oc2nccc(C)n2)C1 ZINC001255176870 947765773 /nfs/dbraw/zinc/76/57/73/947765773.db2.gz HLAHXJJYQIVBMI-QWHCGFSZSA-N 1 2 260.341 1.930 20 30 CDEDLO C=C1C[C@@H]2CC([NH2+][C@@H](C(=O)OC)[C@@H](C)O)C[C@H](C1)C2 ZINC001257888018 948656466 /nfs/dbraw/zinc/65/64/66/948656466.db2.gz SZFPLJAISVDXDB-SYCZCVCYSA-N 1 2 267.369 1.633 20 30 CDEDLO COc1ccc(C[NH+]2CCOCC2)cc1CCC#N ZINC001250057316 949974416 /nfs/dbraw/zinc/97/44/16/949974416.db2.gz DCZMPWNPJZFTCK-UHFFFAOYSA-N 1 2 260.337 1.984 20 30 CDEDLO Cc1csc(NC[C@@H](O)C[NH+]2CCOCC2)c1C#N ZINC001251001784 950553694 /nfs/dbraw/zinc/55/36/94/950553694.db2.gz PHVDJWBOHQEXBC-LLVKDONJSA-N 1 2 281.381 1.033 20 30 CDEDLO C=C[C@@](C)(O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001252561185 951457888 /nfs/dbraw/zinc/45/78/88/951457888.db2.gz YEFFTTMNPXNDCZ-CQSZACIVSA-N 1 2 284.356 1.003 20 30 CDEDLO C=C[C@@](C)(O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001252561185 951457892 /nfs/dbraw/zinc/45/78/92/951457892.db2.gz YEFFTTMNPXNDCZ-CQSZACIVSA-N 1 2 284.356 1.003 20 30 CDEDLO CC[N@H+](CCC#N)C[C@@H](O)COc1ccc(CCO)cc1 ZINC001253141201 951767758 /nfs/dbraw/zinc/76/77/58/951767758.db2.gz AFNWBSYAUWHXBA-OAHLLOKOSA-N 1 2 292.379 1.197 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@@H](O)COc1ccc(CCO)cc1 ZINC001253141201 951767763 /nfs/dbraw/zinc/76/77/63/951767763.db2.gz AFNWBSYAUWHXBA-OAHLLOKOSA-N 1 2 292.379 1.197 20 30 CDEDLO C=C[C@H](O)CNc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001253589827 951982605 /nfs/dbraw/zinc/98/26/05/951982605.db2.gz QTDRQIFHPDFMQG-HNNXBMFYSA-N 1 2 292.379 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](C)OCC1CC1 ZINC001480845454 971910106 /nfs/dbraw/zinc/91/01/06/971910106.db2.gz AOEJHKLQFNQENL-LLVKDONJSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](C)OCC1CC1 ZINC001480845454 971910112 /nfs/dbraw/zinc/91/01/12/971910112.db2.gz AOEJHKLQFNQENL-LLVKDONJSA-N 1 2 274.792 1.602 20 30 CDEDLO C[C@@H]1CC[N@H+](CC(=O)Nc2nc3ccc(C#N)cc3[nH]2)C1 ZINC001363361242 972112001 /nfs/dbraw/zinc/11/20/01/972112001.db2.gz UYTOERNDHFVMHA-SNVBAGLBSA-N 1 2 283.335 1.715 20 30 CDEDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2nc3ccc(C#N)cc3[nH]2)C1 ZINC001363361242 972112004 /nfs/dbraw/zinc/11/20/04/972112004.db2.gz UYTOERNDHFVMHA-SNVBAGLBSA-N 1 2 283.335 1.715 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCC(=O)NCC ZINC001422485715 956077093 /nfs/dbraw/zinc/07/70/93/956077093.db2.gz JTJDHQSSBNWNDE-LLVKDONJSA-N 1 2 289.807 1.092 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCC(=O)NCC ZINC001422485715 956077110 /nfs/dbraw/zinc/07/71/10/956077110.db2.gz JTJDHQSSBNWNDE-LLVKDONJSA-N 1 2 289.807 1.092 20 30 CDEDLO CC(C)c1[nH]cc(CNC(=O)CSCC#N)[nH+]1 ZINC001304105722 956165901 /nfs/dbraw/zinc/16/59/01/956165901.db2.gz RPEOSJXBSZZFCM-UHFFFAOYSA-N 1 2 252.343 1.406 20 30 CDEDLO CC(C)c1[nH]c(CNC(=O)CSCC#N)c[nH+]1 ZINC001304105722 956165911 /nfs/dbraw/zinc/16/59/11/956165911.db2.gz RPEOSJXBSZZFCM-UHFFFAOYSA-N 1 2 252.343 1.406 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CC1(F)F ZINC001317443338 956306494 /nfs/dbraw/zinc/30/64/94/956306494.db2.gz IQJLDUPCZRKADH-QMMMGPOBSA-N 1 2 252.692 1.442 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CC1(F)F ZINC001317443338 956306504 /nfs/dbraw/zinc/30/65/04/956306504.db2.gz IQJLDUPCZRKADH-QMMMGPOBSA-N 1 2 252.692 1.442 20 30 CDEDLO N#Cc1cncnc1NCc1ccn2cc[nH+]c2c1 ZINC001306999398 956356182 /nfs/dbraw/zinc/35/61/82/956356182.db2.gz WVPYACOTARWYAK-UHFFFAOYSA-N 1 2 250.265 1.030 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCc2nccn2C)C1 ZINC001367014907 957340362 /nfs/dbraw/zinc/34/03/62/957340362.db2.gz ZPAGDVAQOSYXAA-LBPRGKRZSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCc2nccn2C)C1 ZINC001367014907 957340372 /nfs/dbraw/zinc/34/03/72/957340372.db2.gz ZPAGDVAQOSYXAA-LBPRGKRZSA-N 1 2 296.802 1.296 20 30 CDEDLO C=CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)[O-] ZINC001331948748 957355500 /nfs/dbraw/zinc/35/55/00/957355500.db2.gz QIRGJTXIPJYTIA-CQSZACIVSA-N 1 2 271.320 1.991 20 30 CDEDLO N#CCCn1ccc(NC(=O)CCc2c[nH]c[nH+]2)n1 ZINC001321205494 959652699 /nfs/dbraw/zinc/65/26/99/959652699.db2.gz QDJCTNSRMIQNOW-UHFFFAOYSA-N 1 2 258.285 1.091 20 30 CDEDLO N#CCCn1ccc(NC(=O)CCc2c[nH+]c[nH]2)n1 ZINC001321205494 959652712 /nfs/dbraw/zinc/65/27/12/959652712.db2.gz QDJCTNSRMIQNOW-UHFFFAOYSA-N 1 2 258.285 1.091 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1nc(-c2ccco2)no1 ZINC001336068393 960186008 /nfs/dbraw/zinc/18/60/08/960186008.db2.gz WUYUJMPRUYJUHO-UHFFFAOYSA-N 1 2 261.281 1.411 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1nc(-c2ccco2)no1 ZINC001336068393 960186012 /nfs/dbraw/zinc/18/60/12/960186012.db2.gz WUYUJMPRUYJUHO-UHFFFAOYSA-N 1 2 261.281 1.411 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC001433720017 960556183 /nfs/dbraw/zinc/55/61/83/960556183.db2.gz WHXHXJKRYWUXRH-SNVBAGLBSA-N 1 2 271.324 1.457 20 30 CDEDLO C#CC[N@H+](CC1CC1)CN1C(=O)CN(c2ccccc2)C1=O ZINC001324381100 961344089 /nfs/dbraw/zinc/34/40/89/961344089.db2.gz JFSSWGSLOTWNHJ-UHFFFAOYSA-N 1 2 297.358 1.758 20 30 CDEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)CN(c2ccccc2)C1=O ZINC001324381100 961344106 /nfs/dbraw/zinc/34/41/06/961344106.db2.gz JFSSWGSLOTWNHJ-UHFFFAOYSA-N 1 2 297.358 1.758 20 30 CDEDLO C#CCN(C)c1nnc([C@H]2CCCC[N@@H+]2C)n1CC=C ZINC001338748670 961975122 /nfs/dbraw/zinc/97/51/22/961975122.db2.gz BJBLEQJGERHRLG-CYBMUJFWSA-N 1 2 273.384 1.690 20 30 CDEDLO C#CCN(C)c1nnc([C@H]2CCCC[N@H+]2C)n1CC=C ZINC001338748670 961975132 /nfs/dbraw/zinc/97/51/32/961975132.db2.gz BJBLEQJGERHRLG-CYBMUJFWSA-N 1 2 273.384 1.690 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C(CC)CC)n2CC)CC1 ZINC001340896285 963177349 /nfs/dbraw/zinc/17/73/49/963177349.db2.gz KZAGNCLIRRERSF-UHFFFAOYSA-N 1 2 289.427 1.957 20 30 CDEDLO C#Cc1ccc(NC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)cc1 ZINC001342723208 963806619 /nfs/dbraw/zinc/80/66/19/963806619.db2.gz UEBFODXGYSUGJH-OAHLLOKOSA-N 1 2 282.347 1.643 20 30 CDEDLO COCC[N@H+](CCNC(C)=O)Cc1ccc(C#N)cc1F ZINC001442165506 964894828 /nfs/dbraw/zinc/89/48/28/964894828.db2.gz DSGAWGKBXNZGDC-UHFFFAOYSA-N 1 2 293.342 1.282 20 30 CDEDLO COCC[N@@H+](CCNC(C)=O)Cc1ccc(C#N)cc1F ZINC001442165506 964894840 /nfs/dbraw/zinc/89/48/40/964894840.db2.gz DSGAWGKBXNZGDC-UHFFFAOYSA-N 1 2 293.342 1.282 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](O)C(C)C)C1 ZINC001443810378 965614435 /nfs/dbraw/zinc/61/44/35/965614435.db2.gz QHSINAUFVIHGIU-NWDGAFQWSA-N 1 2 274.792 1.289 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](O)C(C)C)C1 ZINC001443810378 965614441 /nfs/dbraw/zinc/61/44/41/965614441.db2.gz QHSINAUFVIHGIU-NWDGAFQWSA-N 1 2 274.792 1.289 20 30 CDEDLO C=CCCCC(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001100290894 967915933 /nfs/dbraw/zinc/91/59/33/967915933.db2.gz ODQHDSCLKAIZKF-UHFFFAOYSA-N 1 2 262.357 1.694 20 30 CDEDLO C=C(CC(C)C)C(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001546049540 968288117 /nfs/dbraw/zinc/28/81/17/968288117.db2.gz BAFWTAPISSQWHY-AWEZNQCLSA-N 1 2 294.395 1.485 20 30 CDEDLO CC[C@@H](C(=O)N(C)C1(C#N)CCC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001361864802 970618731 /nfs/dbraw/zinc/61/87/31/970618731.db2.gz YXSVKGLTYPGBDY-KBPBESRZSA-N 1 2 293.411 1.780 20 30 CDEDLO CC[C@@H](C(=O)N(C)C1(C#N)CCC1)[N@H+]1CCO[C@@H](CC)C1 ZINC001361864802 970618735 /nfs/dbraw/zinc/61/87/35/970618735.db2.gz YXSVKGLTYPGBDY-KBPBESRZSA-N 1 2 293.411 1.780 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccnnc1C ZINC001372363073 972931808 /nfs/dbraw/zinc/93/18/08/972931808.db2.gz SDRCYWWWQNPFGE-UHFFFAOYSA-N 1 2 282.775 1.589 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccnnc1C ZINC001372363073 972931819 /nfs/dbraw/zinc/93/18/19/972931819.db2.gz SDRCYWWWQNPFGE-UHFFFAOYSA-N 1 2 282.775 1.589 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)NCc1ccc(C#N)c(F)c1 ZINC001418018625 973531950 /nfs/dbraw/zinc/53/19/50/973531950.db2.gz RQCRHEDKLNVWAF-UHFFFAOYSA-N 1 2 286.310 1.680 20 30 CDEDLO Cc1nc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)co1 ZINC001377143060 974904278 /nfs/dbraw/zinc/90/42/78/974904278.db2.gz ZHBDPMGYMDJBHY-UHFFFAOYSA-N 1 2 298.346 1.717 20 30 CDEDLO Cc1nc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)co1 ZINC001377143060 974904283 /nfs/dbraw/zinc/90/42/83/974904283.db2.gz ZHBDPMGYMDJBHY-UHFFFAOYSA-N 1 2 298.346 1.717 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CC[C@H]2CCOC2)C1 ZINC001404863362 975499371 /nfs/dbraw/zinc/49/93/71/975499371.db2.gz HUMOHKVWDJXBMC-LBPRGKRZSA-N 1 2 286.803 1.604 20 30 CDEDLO CCc1noc([C@H](C)[NH2+]CCN(CC)C(=O)[C@@H](C)C#N)n1 ZINC001379294044 975749427 /nfs/dbraw/zinc/74/94/27/975749427.db2.gz AASPQIDECGORLV-QWRGUYRKSA-N 1 2 293.371 1.291 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1[nH]cnc1C ZINC001401828974 975939373 /nfs/dbraw/zinc/93/93/73/975939373.db2.gz WHCLVWCBRKNETL-SECBINFHSA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1[nH]cnc1C ZINC001401828974 975939379 /nfs/dbraw/zinc/93/93/79/975939379.db2.gz WHCLVWCBRKNETL-SECBINFHSA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccc(C)nc1OC ZINC001390826072 976538384 /nfs/dbraw/zinc/53/83/84/976538384.db2.gz PYUVBRSXODFTLR-UHFFFAOYSA-N 1 2 297.786 1.813 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccc(C)nc1OC ZINC001390826072 976538391 /nfs/dbraw/zinc/53/83/91/976538391.db2.gz PYUVBRSXODFTLR-UHFFFAOYSA-N 1 2 297.786 1.813 20 30 CDEDLO C[N@H+](CCNC(=O)c1ncccn1)Cc1ccccc1C#N ZINC001399594654 976592200 /nfs/dbraw/zinc/59/22/00/976592200.db2.gz NFJCDOMMHUUXRJ-UHFFFAOYSA-N 1 2 295.346 1.210 20 30 CDEDLO C[N@@H+](CCNC(=O)c1ncccn1)Cc1ccccc1C#N ZINC001399594654 976592213 /nfs/dbraw/zinc/59/22/13/976592213.db2.gz NFJCDOMMHUUXRJ-UHFFFAOYSA-N 1 2 295.346 1.210 20 30 CDEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1ncc(CC)o1 ZINC001132568768 1163377008 /nfs/dbraw/zinc/37/70/08/1163377008.db2.gz DHUKFIQXLGFWSS-NEPJUHHUSA-N 1 2 279.384 1.901 20 30 CDEDLO C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(C(=O)[O-])c1C#N ZINC001598484674 992188851 /nfs/dbraw/zinc/18/88/51/992188851.db2.gz BACHRFSBUPQNGN-UHFFFAOYSA-N 1 2 298.346 1.975 20 30 CDEDLO C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(C(=O)[O-])c1C#N ZINC001598484674 992188856 /nfs/dbraw/zinc/18/88/56/992188856.db2.gz BACHRFSBUPQNGN-UHFFFAOYSA-N 1 2 298.346 1.975 20 30 CDEDLO CC#CCCCC(=O)NCC[NH2+][C@@H](C)c1nnc(CC)o1 ZINC001132593067 1163395117 /nfs/dbraw/zinc/39/51/17/1163395117.db2.gz PGNPBNYTPZYHAS-LBPRGKRZSA-N 1 2 292.383 1.592 20 30 CDEDLO C=C[C@@H](CO)Nc1cc(CC(=O)OCC)cc[nH+]1 ZINC001158819191 1163605448 /nfs/dbraw/zinc/60/54/48/1163605448.db2.gz UBGSDJMGERTWSJ-NSHDSACASA-N 1 2 250.298 1.146 20 30 CDEDLO COc1cc(C#N)ccc1OC[C@H]1C[N@H+](C)CCO1 ZINC000092056297 1174353637 /nfs/dbraw/zinc/35/36/37/1174353637.db2.gz SYCVVUQOGBMKBH-GFCCVEGCSA-N 1 2 262.309 1.276 20 30 CDEDLO COc1cc(C#N)ccc1OC[C@H]1C[N@@H+](C)CCO1 ZINC000092056297 1174353643 /nfs/dbraw/zinc/35/36/43/1174353643.db2.gz SYCVVUQOGBMKBH-GFCCVEGCSA-N 1 2 262.309 1.276 20 30 CDEDLO CCc1cc(C#N)ccc1OC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC001573825611 1170790237 /nfs/dbraw/zinc/79/02/37/1170790237.db2.gz DBJNNTKNHWRXEC-CJNGLKHVSA-N 1 2 288.347 1.793 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H](CC[NH2+]Cc2c[nH]nn2)C1 ZINC001575084839 1171107388 /nfs/dbraw/zinc/10/73/88/1171107388.db2.gz ASJHOMMKYYDLAR-GFCCVEGCSA-N 1 2 277.372 1.099 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H](CC[NH2+]Cc2cn[nH]n2)C1 ZINC001575084839 1171107398 /nfs/dbraw/zinc/10/73/98/1171107398.db2.gz ASJHOMMKYYDLAR-GFCCVEGCSA-N 1 2 277.372 1.099 20 30 CDEDLO N#Cc1cccc(C(=O)NCCc2cn3ccccc3[nH+]2)n1 ZINC000589268538 342502452 /nfs/dbraw/zinc/50/24/52/342502452.db2.gz SAYIMBQPCSXAFH-UHFFFAOYSA-N 1 2 291.314 1.573 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000589272616 342502963 /nfs/dbraw/zinc/50/29/63/342502963.db2.gz BXPZGOLJFBXOTC-GRYCIOLGSA-N 1 2 253.342 1.603 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000589272616 342502964 /nfs/dbraw/zinc/50/29/64/342502964.db2.gz BXPZGOLJFBXOTC-GRYCIOLGSA-N 1 2 253.342 1.603 20 30 CDEDLO N#Cc1cccc(C(=O)NCC[NH+]2Cc3ccccc3C2)n1 ZINC000589344301 342504078 /nfs/dbraw/zinc/50/40/78/342504078.db2.gz JKRAOLXZGJQDHJ-UHFFFAOYSA-N 1 2 292.342 1.699 20 30 CDEDLO CO[C@](C)(CNC(=O)N1CCn2cc[nH+]c2C1)C1CC1 ZINC000329690480 361809939 /nfs/dbraw/zinc/80/99/39/361809939.db2.gz CXPKAFWHOICPFK-CQSZACIVSA-N 1 2 278.356 1.428 20 30 CDEDLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NC2(C#N)CCC2)nc1 ZINC000590754460 342587912 /nfs/dbraw/zinc/58/79/12/342587912.db2.gz BFBBEJHBDKKLBX-ZDUSSCGKSA-N 1 2 286.379 1.773 20 30 CDEDLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)NC2(C#N)CCC2)nc1 ZINC000590754460 342587913 /nfs/dbraw/zinc/58/79/13/342587913.db2.gz BFBBEJHBDKKLBX-ZDUSSCGKSA-N 1 2 286.379 1.773 20 30 CDEDLO CCc1cc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)on1 ZINC000565422257 365642776 /nfs/dbraw/zinc/64/27/76/365642776.db2.gz VJLDHPUGJSOXIC-UHFFFAOYSA-N 1 2 282.307 1.441 20 30 CDEDLO Cc1cc(NCCc2ccc(CO)cc2)c(C#N)c[nH+]1 ZINC000591822695 342647659 /nfs/dbraw/zinc/64/76/59/342647659.db2.gz VFVMNZFLOKWQFK-UHFFFAOYSA-N 1 2 267.332 1.831 20 30 CDEDLO N#CC1CN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000591833894 342648178 /nfs/dbraw/zinc/64/81/78/342648178.db2.gz OZLYECPNFVXWMC-AWEZNQCLSA-N 1 2 280.331 1.914 20 30 CDEDLO N#CCC[N@@H+](Cc1ccco1)C[C@H]1CNc2ccnn2C1 ZINC000619265815 342152662 /nfs/dbraw/zinc/15/26/62/342152662.db2.gz XANSEZDJRDIFJF-CYBMUJFWSA-N 1 2 285.351 1.934 20 30 CDEDLO N#CCC[N@H+](Cc1ccco1)C[C@H]1CNc2ccnn2C1 ZINC000619265815 342152663 /nfs/dbraw/zinc/15/26/63/342152663.db2.gz XANSEZDJRDIFJF-CYBMUJFWSA-N 1 2 285.351 1.934 20 30 CDEDLO C[C@@H](C(=O)NCc1cccs1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148428 342668374 /nfs/dbraw/zinc/66/83/74/342668374.db2.gz YKUVQPMSBRCGFN-FZMZJTMJSA-N 1 2 293.392 1.103 20 30 CDEDLO C[C@@H](C(=O)NCc1cccs1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148428 342668375 /nfs/dbraw/zinc/66/83/75/342668375.db2.gz YKUVQPMSBRCGFN-FZMZJTMJSA-N 1 2 293.392 1.103 20 30 CDEDLO C[C@@H]1[N@H+](Cc2cnc3c(C#N)cnn3c2)CCOC1(C)C ZINC000592500072 342705535 /nfs/dbraw/zinc/70/55/35/342705535.db2.gz PRVWTFRRXNFTGF-NSHDSACASA-N 1 2 285.351 1.600 20 30 CDEDLO C[C@@H]1[N@@H+](Cc2cnc3c(C#N)cnn3c2)CCOC1(C)C ZINC000592500072 342705536 /nfs/dbraw/zinc/70/55/36/342705536.db2.gz PRVWTFRRXNFTGF-NSHDSACASA-N 1 2 285.351 1.600 20 30 CDEDLO CC[C@@H](C#N)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000593456479 342802681 /nfs/dbraw/zinc/80/26/81/342802681.db2.gz BKBVHRUIAXUTJH-NSHDSACASA-N 1 2 256.309 1.809 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000159913677 361914368 /nfs/dbraw/zinc/91/43/68/361914368.db2.gz XHSVEDRMVHZHHD-CQSZACIVSA-N 1 2 298.452 1.641 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594027448 342867885 /nfs/dbraw/zinc/86/78/85/342867885.db2.gz UZPUKEPGEOQRCG-CHWSQXEVSA-N 1 2 253.342 1.748 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594027448 342867887 /nfs/dbraw/zinc/86/78/87/342867887.db2.gz UZPUKEPGEOQRCG-CHWSQXEVSA-N 1 2 253.342 1.748 20 30 CDEDLO N#CCCN1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000593968625 342858560 /nfs/dbraw/zinc/85/85/60/342858560.db2.gz IONLEKUXVMUOQC-UHFFFAOYSA-N 1 2 260.366 1.651 20 30 CDEDLO C=CCCOCC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000594180841 342880705 /nfs/dbraw/zinc/88/07/05/342880705.db2.gz UXUSHLGUISWUFY-UHFFFAOYSA-N 1 2 262.309 1.264 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2c(O)cccc2C1 ZINC000626025295 342290094 /nfs/dbraw/zinc/29/00/94/342290094.db2.gz QTGTVCVWSRMRCP-UHFFFAOYSA-N 1 2 286.375 1.951 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2c(O)cccc2C1 ZINC000626025295 342290095 /nfs/dbraw/zinc/29/00/95/342290095.db2.gz QTGTVCVWSRMRCP-UHFFFAOYSA-N 1 2 286.375 1.951 20 30 CDEDLO C=CCCSCCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000594739449 342951111 /nfs/dbraw/zinc/95/11/11/342951111.db2.gz RIYIVKCAXQHYCZ-NSHDSACASA-N 1 2 294.380 1.182 20 30 CDEDLO C=CCCSCCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000594739449 342951113 /nfs/dbraw/zinc/95/11/13/342951113.db2.gz RIYIVKCAXQHYCZ-NSHDSACASA-N 1 2 294.380 1.182 20 30 CDEDLO COCC[N@H+](CCC#N)CCc1ccc(C#N)cc1 ZINC000595346482 343044495 /nfs/dbraw/zinc/04/44/95/343044495.db2.gz JMSFZCQEFJWIQA-UHFFFAOYSA-N 1 2 257.337 1.963 20 30 CDEDLO COCC[N@@H+](CCC#N)CCc1ccc(C#N)cc1 ZINC000595346482 343044497 /nfs/dbraw/zinc/04/44/97/343044497.db2.gz JMSFZCQEFJWIQA-UHFFFAOYSA-N 1 2 257.337 1.963 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595610273 343108508 /nfs/dbraw/zinc/10/85/08/343108508.db2.gz VCPOPXILRIJPBE-HIFRSBDPSA-N 1 2 276.384 1.667 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595610273 343108509 /nfs/dbraw/zinc/10/85/09/343108509.db2.gz VCPOPXILRIJPBE-HIFRSBDPSA-N 1 2 276.384 1.667 20 30 CDEDLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC#N)C2)on1 ZINC000595612342 343108886 /nfs/dbraw/zinc/10/88/86/343108886.db2.gz UPJMDMGNXFDSPZ-NWDGAFQWSA-N 1 2 276.340 1.936 20 30 CDEDLO Cc1cc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC#N)C2)on1 ZINC000595612342 343108889 /nfs/dbraw/zinc/10/88/89/343108889.db2.gz UPJMDMGNXFDSPZ-NWDGAFQWSA-N 1 2 276.340 1.936 20 30 CDEDLO CC(C)C[N@H+](CC(N)=O)Cc1cn2ccccc2c1C#N ZINC000078518251 342337957 /nfs/dbraw/zinc/33/79/57/342337957.db2.gz IBMGGDMOTOXITJ-UHFFFAOYSA-N 1 2 284.363 1.754 20 30 CDEDLO CC(C)C[N@@H+](CC(N)=O)Cc1cn2ccccc2c1C#N ZINC000078518251 342337958 /nfs/dbraw/zinc/33/79/58/342337958.db2.gz IBMGGDMOTOXITJ-UHFFFAOYSA-N 1 2 284.363 1.754 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1N(c2cc(C#N)ncn2)CC1(C)C ZINC000596002440 343206978 /nfs/dbraw/zinc/20/69/78/343206978.db2.gz GKRIYEVQLOKOTR-GFCCVEGCSA-N 1 2 268.324 1.669 20 30 CDEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@@](C)(C#N)C2CCCCC2)C1 ZINC000081408457 342368670 /nfs/dbraw/zinc/36/86/70/342368670.db2.gz IWBULNUZVOMJRO-ZFWWWQNUSA-N 1 2 279.384 1.296 20 30 CDEDLO C[N@H+]1CCO[C@H](C(=O)N[C@@](C)(C#N)C2CCCCC2)C1 ZINC000081408457 342368671 /nfs/dbraw/zinc/36/86/71/342368671.db2.gz IWBULNUZVOMJRO-ZFWWWQNUSA-N 1 2 279.384 1.296 20 30 CDEDLO Cn1ncc(C#N)c1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000596112016 343230431 /nfs/dbraw/zinc/23/04/31/343230431.db2.gz HIFUHIOBBMLBIM-GFCCVEGCSA-N 1 2 256.313 1.330 20 30 CDEDLO CCc1nc(C#N)cc(NCc2cn3ccc(C)cc3[nH+]2)n1 ZINC000596088549 343233367 /nfs/dbraw/zinc/23/33/67/343233367.db2.gz UHCSYNHQXZIQDW-UHFFFAOYSA-N 1 2 292.346 1.901 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)NCC2(C#N)CCC2)[C@@H](C)CO1 ZINC000596632809 343362210 /nfs/dbraw/zinc/36/22/10/343362210.db2.gz ORFHHRXTWYWGIJ-STQMWFEESA-N 1 2 294.399 1.089 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)NCC2(C#N)CCC2)[C@@H](C)CO1 ZINC000596632809 343362213 /nfs/dbraw/zinc/36/22/13/343362213.db2.gz ORFHHRXTWYWGIJ-STQMWFEESA-N 1 2 294.399 1.089 20 30 CDEDLO C[C@@H](Nc1cnccc1C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000094155978 342430017 /nfs/dbraw/zinc/43/00/17/342430017.db2.gz UEOJLLTZSMSLEH-VXGBXAGGSA-N 1 2 260.341 1.474 20 30 CDEDLO C=CC[C@@H]1N(C(=O)[C@H]2C[N@H+](C)CCO2)CCCC1(C)C ZINC000444333547 362183043 /nfs/dbraw/zinc/18/30/43/362183043.db2.gz ZUFNCCOVYKOZRZ-KGLIPLIRSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CC[C@@H]1N(C(=O)[C@H]2C[N@@H+](C)CCO2)CCCC1(C)C ZINC000444333547 362183048 /nfs/dbraw/zinc/18/30/48/362183048.db2.gz ZUFNCCOVYKOZRZ-KGLIPLIRSA-N 1 2 280.412 1.910 20 30 CDEDLO N#CC1(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000444725221 362200640 /nfs/dbraw/zinc/20/06/40/362200640.db2.gz MQGTZDIYNDPZDB-VHSXEESVSA-N 1 2 262.275 1.925 20 30 CDEDLO N#CC1(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000444725221 362200644 /nfs/dbraw/zinc/20/06/44/362200644.db2.gz MQGTZDIYNDPZDB-VHSXEESVSA-N 1 2 262.275 1.925 20 30 CDEDLO C=C[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)C(=O)OC ZINC000619703647 349860339 /nfs/dbraw/zinc/86/03/39/349860339.db2.gz PWESMZMNKLFQRA-OBJOEFQTSA-N 1 2 253.342 1.509 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000353176941 529841986 /nfs/dbraw/zinc/84/19/86/529841986.db2.gz WUQUUVLUDDBFFQ-UHFFFAOYSA-N 1 2 270.336 1.885 20 30 CDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598460962 343805341 /nfs/dbraw/zinc/80/53/41/343805341.db2.gz YBBNHTZOQMHTBB-NWDGAFQWSA-N 1 2 298.346 1.936 20 30 CDEDLO C=C[C@@H]([NH2+][C@H]1CCCC12CCOCC2)C(=O)OC ZINC000619723295 349873348 /nfs/dbraw/zinc/87/33/48/349873348.db2.gz XZXAOAMJEAFTOR-NEPJUHHUSA-N 1 2 253.342 1.653 20 30 CDEDLO CCC[C@@](C)([NH2+]C[C@@H](O)CC(C)(C)C#N)C(=O)OC ZINC000598591845 343837923 /nfs/dbraw/zinc/83/79/23/343837923.db2.gz CYCVADRQZULXJS-SMDDNHRTSA-N 1 2 270.373 1.609 20 30 CDEDLO C[C@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1CO ZINC000598651700 343858443 /nfs/dbraw/zinc/85/84/43/343858443.db2.gz UUMHWLWIZNKBIU-CMPLNLGQSA-N 1 2 293.392 1.509 20 30 CDEDLO C[C@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1CO ZINC000598651700 343858445 /nfs/dbraw/zinc/85/84/45/343858445.db2.gz UUMHWLWIZNKBIU-CMPLNLGQSA-N 1 2 293.392 1.509 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1C[C@H]1OC(C)(C)C ZINC000598836479 343914564 /nfs/dbraw/zinc/91/45/64/343914564.db2.gz KHPPFQCZLBOGRG-JTNHKYCSSA-N 1 2 267.373 1.150 20 30 CDEDLO CC[C@@](C)([NH2+]CCOc1ccccc1C#N)C(=O)OC ZINC000265456832 362255903 /nfs/dbraw/zinc/25/59/03/362255903.db2.gz VWPYOLFPZQVTGM-OAHLLOKOSA-N 1 2 276.336 1.868 20 30 CDEDLO N#Cc1cccnc1-n1cc(C[NH+]2CCSCC2)nn1 ZINC000600976735 349897042 /nfs/dbraw/zinc/89/70/42/349897042.db2.gz UGACWQUAYBHOIK-UHFFFAOYSA-N 1 2 286.364 1.083 20 30 CDEDLO C=CC[N@@H+](C)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000127148869 187285222 /nfs/dbraw/zinc/28/52/22/187285222.db2.gz PCGGHQZXDJSCEQ-CYBMUJFWSA-N 1 2 269.366 1.241 20 30 CDEDLO C=CC[N@H+](C)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000127148869 187285224 /nfs/dbraw/zinc/28/52/24/187285224.db2.gz PCGGHQZXDJSCEQ-CYBMUJFWSA-N 1 2 269.366 1.241 20 30 CDEDLO Cn1nc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1C1CC1 ZINC000330327635 362382104 /nfs/dbraw/zinc/38/21/04/362382104.db2.gz VQINKLACBCIBEY-LLVKDONJSA-N 1 2 285.351 1.814 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000602860394 344616203 /nfs/dbraw/zinc/61/62/03/344616203.db2.gz BJPCSCQPFNFUFI-MNOVXSKESA-N 1 2 274.324 1.615 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1c2ccccc2C[C@@H]1C ZINC000602861709 344617449 /nfs/dbraw/zinc/61/74/49/344617449.db2.gz HUGWYBUPDLJFLB-RYUDHWBXSA-N 1 2 257.337 1.856 20 30 CDEDLO COc1ccccc1CNC(=O)C[NH2+][C@H](C)CC#N ZINC000602863143 344617775 /nfs/dbraw/zinc/61/77/75/344617775.db2.gz LTXPOSQIMCREGF-LLVKDONJSA-N 1 2 261.325 1.203 20 30 CDEDLO CCCOc1cccc(CNC(=O)C[NH2+][C@@H](C)CC#N)c1 ZINC000602863061 344617987 /nfs/dbraw/zinc/61/79/87/344617987.db2.gz NIYJQMABJXPUJN-ZDUSSCGKSA-N 1 2 289.379 1.983 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1c1ncccn1 ZINC000602897472 344653033 /nfs/dbraw/zinc/65/30/33/344653033.db2.gz JXZQZNOBEOPFNF-ZDUSSCGKSA-N 1 2 287.367 1.376 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1c1ncccn1 ZINC000602897472 344653035 /nfs/dbraw/zinc/65/30/35/344653035.db2.gz JXZQZNOBEOPFNF-ZDUSSCGKSA-N 1 2 287.367 1.376 20 30 CDEDLO C=CCC[C@H](O)C[NH2+][C@H](Cc1ccccc1)C(=O)OC ZINC000602887901 344635623 /nfs/dbraw/zinc/63/56/23/344635623.db2.gz WFHMEELLZDRHQP-LSDHHAIUSA-N 1 2 277.364 1.687 20 30 CDEDLO Cc1[nH]c2nc[nH+]c(N3C[C@@H](C)N(CC#N)[C@@H](C)C3)c2c1C ZINC000603408722 344804622 /nfs/dbraw/zinc/80/46/22/344804622.db2.gz YHICSIIXHLUIRE-PHIMTYICSA-N 1 2 298.394 1.997 20 30 CDEDLO Cn1c[nH+]c(CN2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000618905067 345447051 /nfs/dbraw/zinc/44/70/51/345447051.db2.gz UXVDDPIWBPFJSW-KRWDZBQOSA-N 1 2 295.390 1.803 20 30 CDEDLO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609538405 345594800 /nfs/dbraw/zinc/59/48/00/345594800.db2.gz LBJLUQCYHBWNFI-SOUVJXGZSA-N 1 2 294.443 1.455 20 30 CDEDLO CC#CC[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000162321071 362629321 /nfs/dbraw/zinc/62/93/21/362629321.db2.gz FKFHPWOEGBAENP-LLVKDONJSA-N 1 2 281.153 1.588 20 30 CDEDLO C=CC[C@H]1CCCN(C(=O)[C@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000617780691 345968838 /nfs/dbraw/zinc/96/88/38/345968838.db2.gz ZHVWJZFBCNHJHE-ZFWWWQNUSA-N 1 2 290.411 1.838 20 30 CDEDLO N#CCSCCC[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000174171794 365807599 /nfs/dbraw/zinc/80/75/99/365807599.db2.gz JDFVCBDWAOOGFL-CQSZACIVSA-N 1 2 289.404 1.806 20 30 CDEDLO N#CCSCCC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000174171794 365807604 /nfs/dbraw/zinc/80/76/04/365807604.db2.gz JDFVCBDWAOOGFL-CQSZACIVSA-N 1 2 289.404 1.806 20 30 CDEDLO C#CCO[C@@H](C)C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000295140833 199367678 /nfs/dbraw/zinc/36/76/78/199367678.db2.gz CEEMBJDTPHLBMG-JTQLQIEISA-N 1 2 286.335 1.606 20 30 CDEDLO CC1CC(C#N)(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000610712725 346373044 /nfs/dbraw/zinc/37/30/44/346373044.db2.gz ZIIQYRIZGKCDRN-JVWICGRDSA-N 1 2 272.352 1.986 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[NH+]1CC(C(F)(F)F)C1 ZINC000584681850 346402313 /nfs/dbraw/zinc/40/23/13/346402313.db2.gz XRAMXOAZRDGNDJ-UHFFFAOYSA-N 1 2 264.291 1.905 20 30 CDEDLO CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611175385 346631452 /nfs/dbraw/zinc/63/14/52/346631452.db2.gz XNSYGTSUHNSHSB-OAHLLOKOSA-N 1 2 294.443 1.411 20 30 CDEDLO Cc1cc(N2CCN([C@@H](C#N)C(C)C)CC2)nc[nH+]1 ZINC000611412572 346780196 /nfs/dbraw/zinc/78/01/96/346780196.db2.gz BWYLRDPCZJWAQM-ZDUSSCGKSA-N 1 2 259.357 1.455 20 30 CDEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccncc2)CC1 ZINC000611431861 346781923 /nfs/dbraw/zinc/78/19/23/346781923.db2.gz DJUTXMUVRKWOLG-HNNXBMFYSA-N 1 2 258.369 1.747 20 30 CDEDLO COc1cc(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)ccn1 ZINC000611432252 346782647 /nfs/dbraw/zinc/78/26/47/346782647.db2.gz ZRLHEDHVEHJBHG-OAHLLOKOSA-N 1 2 288.395 1.756 20 30 CDEDLO N#CC1(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)CC1 ZINC000611430312 346787641 /nfs/dbraw/zinc/78/76/41/346787641.db2.gz ULOVFDCQEVDWSF-UHFFFAOYSA-N 1 2 284.363 1.211 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(C#N)c(Cl)c1 ZINC000414122315 362921725 /nfs/dbraw/zinc/92/17/25/362921725.db2.gz ILVMZWPGMPXDPJ-GFCCVEGCSA-N 1 2 293.754 1.797 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(C#N)c(Cl)c1 ZINC000414122315 362921730 /nfs/dbraw/zinc/92/17/30/362921730.db2.gz ILVMZWPGMPXDPJ-GFCCVEGCSA-N 1 2 293.754 1.797 20 30 CDEDLO Cc1cc([N+](=O)[O-])ccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414149025 362924793 /nfs/dbraw/zinc/92/47/93/362924793.db2.gz UHQGCKBQECWAJG-ZDUSSCGKSA-N 1 2 293.323 1.488 20 30 CDEDLO Cc1cc([N+](=O)[O-])ccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414149025 362924802 /nfs/dbraw/zinc/92/48/02/362924802.db2.gz UHQGCKBQECWAJG-ZDUSSCGKSA-N 1 2 293.323 1.488 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(C#N)cc1F ZINC000414154079 362925087 /nfs/dbraw/zinc/92/50/87/362925087.db2.gz YYGJBJCJKNQIEG-LBPRGKRZSA-N 1 2 277.299 1.283 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(C#N)cc1F ZINC000414154079 362925093 /nfs/dbraw/zinc/92/50/93/362925093.db2.gz YYGJBJCJKNQIEG-LBPRGKRZSA-N 1 2 277.299 1.283 20 30 CDEDLO CC(C)(C)[C@H](C#N)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000615768515 348714263 /nfs/dbraw/zinc/71/42/63/348714263.db2.gz BZJIKDKEYIUFCV-QWRGUYRKSA-N 1 2 260.341 1.500 20 30 CDEDLO C#CC[N@@H+](CCOCC)Cc1ccc(C(=O)OC)o1 ZINC000067228753 349017278 /nfs/dbraw/zinc/01/72/78/349017278.db2.gz ARRQTSFDJDCERD-UHFFFAOYSA-N 1 2 265.309 1.538 20 30 CDEDLO C#CC[N@H+](CCOCC)Cc1ccc(C(=O)OC)o1 ZINC000067228753 349017280 /nfs/dbraw/zinc/01/72/80/349017280.db2.gz ARRQTSFDJDCERD-UHFFFAOYSA-N 1 2 265.309 1.538 20 30 CDEDLO Cc1nnc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)c(C#N)c1C ZINC000104659752 186010700 /nfs/dbraw/zinc/01/07/00/186010700.db2.gz BDCSBGPCOKUTKZ-OLZOCXBDSA-N 1 2 289.383 1.486 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC000271316251 191069286 /nfs/dbraw/zinc/06/92/86/191069286.db2.gz JANFETUITPSPMW-UHFFFAOYSA-N 1 2 288.347 1.134 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC000271316251 191069289 /nfs/dbraw/zinc/06/92/89/191069289.db2.gz JANFETUITPSPMW-UHFFFAOYSA-N 1 2 288.347 1.134 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cncc(OCC)c2)C1=O ZINC000621725566 350751317 /nfs/dbraw/zinc/75/13/17/350751317.db2.gz TZLBTNSQMUXKAC-HNNXBMFYSA-N 1 2 289.379 1.699 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cncc(OCC)c2)C1=O ZINC000621725566 350751318 /nfs/dbraw/zinc/75/13/18/350751318.db2.gz TZLBTNSQMUXKAC-HNNXBMFYSA-N 1 2 289.379 1.699 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Nc1c(F)cc(C#N)cc1F ZINC000111143283 186359033 /nfs/dbraw/zinc/35/90/33/186359033.db2.gz WUFGPDIIFCKNDB-SNVBAGLBSA-N 1 2 281.306 1.969 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000020946540 351451216 /nfs/dbraw/zinc/45/12/16/351451216.db2.gz SPVAERBGMJHFOY-UHFFFAOYSA-N 1 2 273.336 1.558 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000020946540 351451223 /nfs/dbraw/zinc/45/12/23/351451223.db2.gz SPVAERBGMJHFOY-UHFFFAOYSA-N 1 2 273.336 1.558 20 30 CDEDLO CC#CCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000135004587 187787967 /nfs/dbraw/zinc/78/79/67/187787967.db2.gz UZDKVKJMJIIIJE-UHFFFAOYSA-N 1 2 272.352 1.504 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3cccnc3)CC2)[nH]1 ZINC000155128315 188185396 /nfs/dbraw/zinc/18/53/96/188185396.db2.gz RXVYZYTWMUAPIS-UHFFFAOYSA-N 1 2 295.346 1.239 20 30 CDEDLO Cc1ccn2cc(CNC(=O)[C@]3(C#N)C[C@@H]3C)[nH+]c2c1 ZINC000336248228 363228547 /nfs/dbraw/zinc/22/85/47/363228547.db2.gz YCUPFQRLBBOKLN-NHYWBVRUSA-N 1 2 268.320 1.809 20 30 CDEDLO CCc1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccn1C ZINC000518382821 260392830 /nfs/dbraw/zinc/39/28/30/260392830.db2.gz DJWNUUTVXNGLOM-CQSZACIVSA-N 1 2 262.357 1.161 20 30 CDEDLO Cn1cc(C[N@H+](C)CC(=O)Nc2ccc(C#N)cc2)cn1 ZINC000032539600 356096790 /nfs/dbraw/zinc/09/67/90/356096790.db2.gz HTDKKUFGKLADPP-UHFFFAOYSA-N 1 2 283.335 1.362 20 30 CDEDLO Cn1cc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)cn1 ZINC000032539600 356096796 /nfs/dbraw/zinc/09/67/96/356096796.db2.gz HTDKKUFGKLADPP-UHFFFAOYSA-N 1 2 283.335 1.362 20 30 CDEDLO Cc1nnc(N[C@H](C)C[NH+]2CCOCC2)c(C#N)c1C ZINC000048336794 356789253 /nfs/dbraw/zinc/78/92/53/356789253.db2.gz MCNTXKXRPUZUTH-SNVBAGLBSA-N 1 2 275.356 1.098 20 30 CDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CC(N)=O ZINC000299049538 356969083 /nfs/dbraw/zinc/96/90/83/356969083.db2.gz PJRMKZPIYBNUSK-LLVKDONJSA-N 1 2 295.408 1.068 20 30 CDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CC(N)=O ZINC000299049538 356969087 /nfs/dbraw/zinc/96/90/87/356969087.db2.gz PJRMKZPIYBNUSK-LLVKDONJSA-N 1 2 295.408 1.068 20 30 CDEDLO CN(C)c1cc(C#N)cc(C(=O)NCc2c[nH+]cn2C)c1 ZINC000294114260 358513507 /nfs/dbraw/zinc/51/35/07/358513507.db2.gz FJDVTOOCETZSQI-UHFFFAOYSA-N 1 2 283.335 1.288 20 30 CDEDLO Cc1cc(NCCn2cnc(C#N)n2)nc(C2CC2)[nH+]1 ZINC000286524377 356945139 /nfs/dbraw/zinc/94/51/39/356945139.db2.gz XZVXXUABUXHVLB-UHFFFAOYSA-N 1 2 269.312 1.238 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000299348072 357034470 /nfs/dbraw/zinc/03/44/70/357034470.db2.gz QTYFUSHZIACCHR-GOEBONIOSA-N 1 2 296.370 1.583 20 30 CDEDLO C[C@H]([C@H](C)Nc1cccnc1C#N)[NH+]1CCOCC1 ZINC000290641507 357240971 /nfs/dbraw/zinc/24/09/71/357240971.db2.gz NQFOTRFGHFMHMV-NWDGAFQWSA-N 1 2 260.341 1.474 20 30 CDEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)C[C@H](C)[NH+]1C ZINC000135262432 357825172 /nfs/dbraw/zinc/82/51/72/357825172.db2.gz PFMYTUZFYIJJMX-RYUDHWBXSA-N 1 2 293.392 1.271 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C=O)CC2)c1 ZINC000294346398 199007151 /nfs/dbraw/zinc/00/71/51/199007151.db2.gz YUVNMYCWGXRBNH-UHFFFAOYSA-N 1 2 261.300 1.361 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C=O)CC2)c1 ZINC000294346398 199007153 /nfs/dbraw/zinc/00/71/53/199007153.db2.gz YUVNMYCWGXRBNH-UHFFFAOYSA-N 1 2 261.300 1.361 20 30 CDEDLO C[N@H+](Cc1ccc(Cl)cc1C#N)[C@H]1CCNC1=O ZINC000335755469 357986030 /nfs/dbraw/zinc/98/60/30/357986030.db2.gz MKDJTFSZGKJWCB-LBPRGKRZSA-N 1 2 263.728 1.532 20 30 CDEDLO C[N@@H+](Cc1ccc(Cl)cc1C#N)[C@H]1CCNC1=O ZINC000335755469 357986031 /nfs/dbraw/zinc/98/60/31/357986031.db2.gz MKDJTFSZGKJWCB-LBPRGKRZSA-N 1 2 263.728 1.532 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCc1c[nH+]ccc1OC ZINC000294580982 199094904 /nfs/dbraw/zinc/09/49/04/199094904.db2.gz LRRWBTXBMDRXQY-ZDUSSCGKSA-N 1 2 250.298 1.034 20 30 CDEDLO Cc1ccc2[nH+]c(CN3CCOC[C@H]3C#N)cn2c1 ZINC000089130323 358391559 /nfs/dbraw/zinc/39/15/59/358391559.db2.gz RTMGSRVVWXXOPC-CYBMUJFWSA-N 1 2 256.309 1.367 20 30 CDEDLO CCN1CCN(C(=O)NCCCC#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000354474178 358531882 /nfs/dbraw/zinc/53/18/82/358531882.db2.gz XJKSUABUNKBNHC-GFCCVEGCSA-N 1 2 290.371 1.102 20 30 CDEDLO C#CCOc1ccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)cc1 ZINC000294923695 199251299 /nfs/dbraw/zinc/25/12/99/199251299.db2.gz YWOYGWQOPHHRFG-UHFFFAOYSA-N 1 2 282.347 1.984 20 30 CDEDLO C=CCOc1ccccc1C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000494361568 366504286 /nfs/dbraw/zinc/50/42/86/366504286.db2.gz DCSPGSIKVVDNTD-CQSZACIVSA-N 1 2 288.347 1.888 20 30 CDEDLO C=CCOc1ccccc1C[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000494361568 366504290 /nfs/dbraw/zinc/50/42/90/366504290.db2.gz DCSPGSIKVVDNTD-CQSZACIVSA-N 1 2 288.347 1.888 20 30 CDEDLO COC[C@@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCC1)c1ccco1 ZINC000346537764 359024540 /nfs/dbraw/zinc/02/45/40/359024540.db2.gz XKGJOXAZXAFHKE-VXGBXAGGSA-N 1 2 291.351 1.508 20 30 CDEDLO COc1cc(CN(C)Cc2[nH+]ccn2C)ccc1C#N ZINC000234933359 359019338 /nfs/dbraw/zinc/01/93/38/359019338.db2.gz MAZYCSREIUIDCS-UHFFFAOYSA-N 1 2 270.336 1.932 20 30 CDEDLO COc1cc(C[N@H+](C)Cc2nccn2C)ccc1C#N ZINC000234933359 359019342 /nfs/dbraw/zinc/01/93/42/359019342.db2.gz MAZYCSREIUIDCS-UHFFFAOYSA-N 1 2 270.336 1.932 20 30 CDEDLO COc1cc(C[N@@H+](C)Cc2nccn2C)ccc1C#N ZINC000234933359 359019347 /nfs/dbraw/zinc/01/93/47/359019347.db2.gz MAZYCSREIUIDCS-UHFFFAOYSA-N 1 2 270.336 1.932 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](C)O ZINC000159418999 359093391 /nfs/dbraw/zinc/09/33/91/359093391.db2.gz PWKQONUPMVGIIB-MFKMUULPSA-N 1 2 262.309 1.085 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](C)O ZINC000159418999 359093396 /nfs/dbraw/zinc/09/33/96/359093396.db2.gz PWKQONUPMVGIIB-MFKMUULPSA-N 1 2 262.309 1.085 20 30 CDEDLO C#CC[N@@H+](CC)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000266916912 359345855 /nfs/dbraw/zinc/34/58/55/359345855.db2.gz KSXZCIWQRUZKJO-OAHLLOKOSA-N 1 2 256.349 1.961 20 30 CDEDLO C#CC[N@H+](CC)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000266916912 359345858 /nfs/dbraw/zinc/34/58/58/359345858.db2.gz KSXZCIWQRUZKJO-OAHLLOKOSA-N 1 2 256.349 1.961 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+]Cc1cn2ccccc2n1 ZINC000272873365 359470734 /nfs/dbraw/zinc/47/07/34/359470734.db2.gz TZOSHPGTUSVOHT-UHFFFAOYSA-N 1 2 279.365 1.025 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1C(=O)OCC ZINC000050064632 359565946 /nfs/dbraw/zinc/56/59/46/359565946.db2.gz KRPFNEMALJJDPH-ZDUSSCGKSA-N 1 2 280.368 1.215 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1C(=O)OCC ZINC000050064632 359565952 /nfs/dbraw/zinc/56/59/52/359565952.db2.gz KRPFNEMALJJDPH-ZDUSSCGKSA-N 1 2 280.368 1.215 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000277075388 359556164 /nfs/dbraw/zinc/55/61/64/359556164.db2.gz DYMXWEGDHLJBRL-YRVVQQKDSA-N 1 2 298.452 1.418 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000277075388 359556169 /nfs/dbraw/zinc/55/61/69/359556169.db2.gz DYMXWEGDHLJBRL-YRVVQQKDSA-N 1 2 298.452 1.418 20 30 CDEDLO C=CCOCCC[N@H+]1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000348049760 359800984 /nfs/dbraw/zinc/80/09/84/359800984.db2.gz JMNFZUARXBURJL-CHWSQXEVSA-N 1 2 299.367 1.006 20 30 CDEDLO C=CCOCCC[N@@H+]1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000348049760 359800988 /nfs/dbraw/zinc/80/09/88/359800988.db2.gz JMNFZUARXBURJL-CHWSQXEVSA-N 1 2 299.367 1.006 20 30 CDEDLO C=CCN(Cc1[nH]c(C)c(C)[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000628152332 359856138 /nfs/dbraw/zinc/85/61/38/359856138.db2.gz WJBLITRXRDLCQC-GFCCVEGCSA-N 1 2 283.397 1.202 20 30 CDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H]1CCN(C)C1=O ZINC000298106466 200333961 /nfs/dbraw/zinc/33/39/61/200333961.db2.gz LUEPGEUMQZEEIV-CQSZACIVSA-N 1 2 260.312 1.492 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCN(C)C1=O ZINC000298106466 200333962 /nfs/dbraw/zinc/33/39/62/200333962.db2.gz LUEPGEUMQZEEIV-CQSZACIVSA-N 1 2 260.312 1.492 20 30 CDEDLO COCC1=CC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000360769820 360276195 /nfs/dbraw/zinc/27/61/95/360276195.db2.gz CGXWELGAROJRBS-OAHLLOKOSA-N 1 2 285.347 1.363 20 30 CDEDLO COCC1=CC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000360769820 360276199 /nfs/dbraw/zinc/27/61/99/360276199.db2.gz CGXWELGAROJRBS-OAHLLOKOSA-N 1 2 285.347 1.363 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000130432783 360396107 /nfs/dbraw/zinc/39/61/07/360396107.db2.gz LNFYZPJXUQATRL-CYBMUJFWSA-N 1 2 273.336 1.407 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000130432783 360396113 /nfs/dbraw/zinc/39/61/13/360396113.db2.gz LNFYZPJXUQATRL-CYBMUJFWSA-N 1 2 273.336 1.407 20 30 CDEDLO Cc1cccc(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)n1 ZINC000348576356 360421313 /nfs/dbraw/zinc/42/13/13/360421313.db2.gz KAYZBPHFURADCX-INIZCTEOSA-N 1 2 286.379 1.630 20 30 CDEDLO Cc1cccc(C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)n1 ZINC000348576356 360421317 /nfs/dbraw/zinc/42/13/17/360421317.db2.gz KAYZBPHFURADCX-INIZCTEOSA-N 1 2 286.379 1.630 20 30 CDEDLO N#Cc1ccc(N2CCC(n3cc[nH+]c3)CC2)cn1 ZINC000267390322 360726221 /nfs/dbraw/zinc/72/62/21/360726221.db2.gz NHGMYPQENGKEFW-UHFFFAOYSA-N 1 2 253.309 1.991 20 30 CDEDLO CC[N@@H+](CC(=O)NCc1cccc(OC)c1)C[C@H](C)C#N ZINC000157642092 360941415 /nfs/dbraw/zinc/94/14/15/360941415.db2.gz CDUNUGQQFIAKNG-CYBMUJFWSA-N 1 2 289.379 1.793 20 30 CDEDLO CC[N@H+](CC(=O)NCc1cccc(OC)c1)C[C@H](C)C#N ZINC000157642092 360941420 /nfs/dbraw/zinc/94/14/20/360941420.db2.gz CDUNUGQQFIAKNG-CYBMUJFWSA-N 1 2 289.379 1.793 20 30 CDEDLO N#Cc1cccc([C@H]2C[N@H+](CCn3cncn3)CCO2)c1 ZINC000367129882 360945893 /nfs/dbraw/zinc/94/58/93/360945893.db2.gz XGQSSTMGEBMPOO-OAHLLOKOSA-N 1 2 283.335 1.223 20 30 CDEDLO N#Cc1cccc([C@H]2C[N@@H+](CCn3cncn3)CCO2)c1 ZINC000367129882 360945896 /nfs/dbraw/zinc/94/58/96/360945896.db2.gz XGQSSTMGEBMPOO-OAHLLOKOSA-N 1 2 283.335 1.223 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000248164684 361284948 /nfs/dbraw/zinc/28/49/48/361284948.db2.gz SSLXTUQSBYQNGD-UPJWGTAASA-N 1 2 267.373 1.104 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000248164684 361284950 /nfs/dbraw/zinc/28/49/50/361284950.db2.gz SSLXTUQSBYQNGD-UPJWGTAASA-N 1 2 267.373 1.104 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000562355517 361331113 /nfs/dbraw/zinc/33/11/13/361331113.db2.gz AFJARKXTGRAIRQ-GFCCVEGCSA-N 1 2 283.335 1.843 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000520516339 361530376 /nfs/dbraw/zinc/53/03/76/361530376.db2.gz ZNYQCYJQKHDOKE-LBPRGKRZSA-N 1 2 263.341 1.569 20 30 CDEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC000456347219 364245470 /nfs/dbraw/zinc/24/54/70/364245470.db2.gz HVCUYFBYQBYDIK-VIFPVBQESA-N 1 2 257.297 1.594 20 30 CDEDLO C[C@H]1C[C@H](NC(=O)CNc2ccc(C#N)cc2)c2[nH+]ccn21 ZINC000456409828 364317833 /nfs/dbraw/zinc/31/78/33/364317833.db2.gz ZWBKJPWRBDNAFC-FZMZJTMJSA-N 1 2 295.346 1.989 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cc(F)cc(F)c2)nn1 ZINC000640938935 364754804 /nfs/dbraw/zinc/75/48/04/364754804.db2.gz GLVZRPBZXBDEJC-UHFFFAOYSA-N 1 2 276.290 1.718 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@H](C(N)=O)C1 ZINC000187437676 364764969 /nfs/dbraw/zinc/76/49/69/364764969.db2.gz HEOSPEACBODOJW-FZMZJTMJSA-N 1 2 257.337 1.644 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@H](C(N)=O)C1 ZINC000187437676 364764972 /nfs/dbraw/zinc/76/49/72/364764972.db2.gz HEOSPEACBODOJW-FZMZJTMJSA-N 1 2 257.337 1.644 20 30 CDEDLO Cc1cc(C)c(CNC(=O)CNc2ccc(C#N)cn2)c[nH+]1 ZINC000456830838 364787196 /nfs/dbraw/zinc/78/71/96/364787196.db2.gz DNNUMSZKCXAFJI-UHFFFAOYSA-N 1 2 295.346 1.115 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(OCC)cn2)nn1 ZINC000641116824 365073321 /nfs/dbraw/zinc/07/33/21/365073321.db2.gz NMBPINMFODHPHK-UHFFFAOYSA-N 1 2 285.351 1.233 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@H](Cc2ccccc2)OC)nn1 ZINC000641173617 365162001 /nfs/dbraw/zinc/16/20/01/365162001.db2.gz GOTZVQRSOXDAIW-KRWDZBQOSA-N 1 2 298.390 1.649 20 30 CDEDLO CC1(C)C[N@H+](CC(=O)Nc2sccc2C#N)CC[C@@H]1O ZINC000275408881 193026030 /nfs/dbraw/zinc/02/60/30/193026030.db2.gz FXOYRDVNOXXBCN-NSHDSACASA-N 1 2 293.392 1.651 20 30 CDEDLO CC1(C)C[N@@H+](CC(=O)Nc2sccc2C#N)CC[C@@H]1O ZINC000275408881 193026033 /nfs/dbraw/zinc/02/60/33/193026033.db2.gz FXOYRDVNOXXBCN-NSHDSACASA-N 1 2 293.392 1.651 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCc1[nH+]ccn1C ZINC000275804714 193134367 /nfs/dbraw/zinc/13/43/67/193134367.db2.gz PHQLQVCPRRUIPK-ZDUSSCGKSA-N 1 2 251.330 1.265 20 30 CDEDLO C=CC[N@@H+](C[C@H](O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000361315618 368743424 /nfs/dbraw/zinc/74/34/24/368743424.db2.gz LPPURBPPFVYXQP-UONOGXRCSA-N 1 2 289.441 1.459 20 30 CDEDLO C=CC[N@H+](C[C@H](O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000361315618 368743430 /nfs/dbraw/zinc/74/34/30/368743430.db2.gz LPPURBPPFVYXQP-UONOGXRCSA-N 1 2 289.441 1.459 20 30 CDEDLO CC#CCCNC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000361522865 368870871 /nfs/dbraw/zinc/87/08/71/368870871.db2.gz CATOBMRAPBXIPF-CYBMUJFWSA-N 1 2 274.368 1.782 20 30 CDEDLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCC#N)o1 ZINC000131300492 369024173 /nfs/dbraw/zinc/02/41/73/369024173.db2.gz OUKNFMHFMBYXMA-GFCCVEGCSA-N 1 2 277.324 1.203 20 30 CDEDLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)NCC#N)o1 ZINC000131300492 369024180 /nfs/dbraw/zinc/02/41/80/369024180.db2.gz OUKNFMHFMBYXMA-GFCCVEGCSA-N 1 2 277.324 1.203 20 30 CDEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000361098020 261161402 /nfs/dbraw/zinc/16/14/02/261161402.db2.gz UHZWCAGMMGEWEJ-JTQLQIEISA-N 1 2 279.365 1.288 20 30 CDEDLO COC(=O)c1cccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000564872567 370282894 /nfs/dbraw/zinc/28/28/94/370282894.db2.gz NOIOZVUAHVSCKJ-OAHLLOKOSA-N 1 2 289.335 1.047 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(C(C)(F)F)nc1 ZINC000565052479 370339625 /nfs/dbraw/zinc/33/96/25/370339625.db2.gz YYDOFIIXERZBOI-CYBMUJFWSA-N 1 2 296.321 1.767 20 30 CDEDLO Cn1cc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)CC2)cc1C#N ZINC000331676569 204065052 /nfs/dbraw/zinc/06/50/52/204065052.db2.gz SSKHGQCKBUPMJQ-AWEZNQCLSA-N 1 2 295.408 1.296 20 30 CDEDLO Cn1cc(C[N@H+]2CCC[C@H](S(C)(=O)=O)CC2)cc1C#N ZINC000331676569 204065057 /nfs/dbraw/zinc/06/50/57/204065057.db2.gz SSKHGQCKBUPMJQ-AWEZNQCLSA-N 1 2 295.408 1.296 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000568167723 371206602 /nfs/dbraw/zinc/20/66/02/371206602.db2.gz MIHUTDWMFISGSQ-NSHDSACASA-N 1 2 274.328 1.064 20 30 CDEDLO N#CC1(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000568468762 371223888 /nfs/dbraw/zinc/22/38/88/371223888.db2.gz LKQXDYRPVXWKBM-UHFFFAOYSA-N 1 2 266.304 1.906 20 30 CDEDLO Cc1ncsc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000573629036 371603981 /nfs/dbraw/zinc/60/39/81/371603981.db2.gz KTKLTTPLAVLXLQ-NSHDSACASA-N 1 2 252.343 1.025 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000015302671 371999868 /nfs/dbraw/zinc/99/98/68/371999868.db2.gz WVGJONSPBKOGFI-INIZCTEOSA-N 1 2 299.374 1.381 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Nc1nc2ccccn2c1C#N ZINC000272899732 372329282 /nfs/dbraw/zinc/32/92/82/372329282.db2.gz LOXLELPLZHFZCG-LBPRGKRZSA-N 1 2 285.351 1.339 20 30 CDEDLO C=CCC[C@H]([NH2+]Cc1nc(N)nc(N)n1)c1ccccc1 ZINC000180041582 372334357 /nfs/dbraw/zinc/33/43/57/372334357.db2.gz GIXCCWWWCSEZAN-LBPRGKRZSA-N 1 2 284.367 1.833 20 30 CDEDLO C=CCn1cc(CNc2nc(C3CC3)[nH+]c3c2CCC3)nn1 ZINC000574447929 335020250 /nfs/dbraw/zinc/02/02/50/335020250.db2.gz RZVVPRHPIKBJEW-UHFFFAOYSA-N 1 2 296.378 1.654 20 30 CDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000299353825 373903256 /nfs/dbraw/zinc/90/32/56/373903256.db2.gz CSCDYIQZBRURFT-HOTGVXAUSA-N 1 2 299.374 1.428 20 30 CDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000299353825 373903266 /nfs/dbraw/zinc/90/32/66/373903266.db2.gz CSCDYIQZBRURFT-HOTGVXAUSA-N 1 2 299.374 1.428 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)NCCc1cccc(C#N)c1 ZINC000358144322 373946378 /nfs/dbraw/zinc/94/63/78/373946378.db2.gz RQVHBLOWYKLEGH-UHFFFAOYSA-N 1 2 283.335 1.334 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c[nH]cn3)CC2)cc1 ZINC000299641463 373918914 /nfs/dbraw/zinc/91/89/14/373918914.db2.gz MXIHSKHXLKRHKF-UHFFFAOYSA-N 1 2 295.346 1.239 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)NCc1ccc(C#N)cc1 ZINC000357647689 373926388 /nfs/dbraw/zinc/92/63/88/373926388.db2.gz HGLDFZDGHCDBDB-UHFFFAOYSA-N 1 2 269.308 1.291 20 30 CDEDLO CO[C@H](C)C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000360210487 374005423 /nfs/dbraw/zinc/00/54/23/374005423.db2.gz YXAMHJLVTYDGAV-IUODEOHRSA-N 1 2 260.337 1.966 20 30 CDEDLO CO[C@H](C)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000360210487 374005427 /nfs/dbraw/zinc/00/54/27/374005427.db2.gz YXAMHJLVTYDGAV-IUODEOHRSA-N 1 2 260.337 1.966 20 30 CDEDLO N#Cc1ccc(OCC(=O)Nc2cc[nH+]cc2O)cc1 ZINC000109891015 374077215 /nfs/dbraw/zinc/07/72/15/374077215.db2.gz WHXVFHOPOVVFGT-UHFFFAOYSA-N 1 2 269.260 1.676 20 30 CDEDLO N#Cc1ncccc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000274087190 374100445 /nfs/dbraw/zinc/10/04/45/374100445.db2.gz RGIZBHFGRAHNOZ-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO N#Cc1cnc(N2CC[NH+](Cc3cccnc3)CC2)c(F)c1 ZINC000413030011 374203842 /nfs/dbraw/zinc/20/38/42/374203842.db2.gz CGWGWQSMTDUVEY-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc(C#N)cc1 ZINC000070159061 374652741 /nfs/dbraw/zinc/65/27/41/374652741.db2.gz VFUQULRNIOPZHZ-LBPRGKRZSA-N 1 2 268.320 1.502 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000126231134 374987918 /nfs/dbraw/zinc/98/79/18/374987918.db2.gz CSEMBMYZDLLZNY-HOCLYGCPSA-N 1 2 286.375 1.506 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000126231134 374987925 /nfs/dbraw/zinc/98/79/25/374987925.db2.gz CSEMBMYZDLLZNY-HOCLYGCPSA-N 1 2 286.375 1.506 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCNC(=O)CC2)c(OC(F)F)c1 ZINC000332194698 375012961 /nfs/dbraw/zinc/01/29/61/375012961.db2.gz AJALPIXOAVQYNS-UHFFFAOYSA-N 1 2 295.289 1.482 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCNC(=O)CC2)c(OC(F)F)c1 ZINC000332194698 375012964 /nfs/dbraw/zinc/01/29/64/375012964.db2.gz AJALPIXOAVQYNS-UHFFFAOYSA-N 1 2 295.289 1.482 20 30 CDEDLO COc1cc(C[N@@H+]2CC[S@](=O)C[C@@H](C)C2)ccc1C#N ZINC000282318339 375079003 /nfs/dbraw/zinc/07/90/03/375079003.db2.gz NLHFFHMJKAXISW-YUNKPMOVSA-N 1 2 292.404 1.767 20 30 CDEDLO COc1cc(C[N@H+]2CC[S@](=O)C[C@@H](C)C2)ccc1C#N ZINC000282318339 375079009 /nfs/dbraw/zinc/07/90/09/375079009.db2.gz NLHFFHMJKAXISW-YUNKPMOVSA-N 1 2 292.404 1.767 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000283990873 375128185 /nfs/dbraw/zinc/12/81/85/375128185.db2.gz JIBNWKSWAQVREV-ZDUSSCGKSA-N 1 2 284.319 1.614 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000283990873 375128196 /nfs/dbraw/zinc/12/81/96/375128196.db2.gz JIBNWKSWAQVREV-ZDUSSCGKSA-N 1 2 284.319 1.614 20 30 CDEDLO CC(C)(C)[N@H+](CC(N)=O)Cc1cn2ccccc2c1C#N ZINC000131359058 375243514 /nfs/dbraw/zinc/24/35/14/375243514.db2.gz PVUSQVPIMWJQNP-UHFFFAOYSA-N 1 2 284.363 1.897 20 30 CDEDLO CC(C)(C)[N@@H+](CC(N)=O)Cc1cn2ccccc2c1C#N ZINC000131359058 375243520 /nfs/dbraw/zinc/24/35/20/375243520.db2.gz PVUSQVPIMWJQNP-UHFFFAOYSA-N 1 2 284.363 1.897 20 30 CDEDLO CN(C)C(=O)C[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162866408 375536491 /nfs/dbraw/zinc/53/64/91/375536491.db2.gz NFJIEDIWXUDSDU-UHFFFAOYSA-N 1 2 265.744 1.732 20 30 CDEDLO CN(C)C(=O)C[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162866408 375536499 /nfs/dbraw/zinc/53/64/99/375536499.db2.gz NFJIEDIWXUDSDU-UHFFFAOYSA-N 1 2 265.744 1.732 20 30 CDEDLO CN(C(=O)C[NH+]1CCC(C#N)CC1)C1(C#N)CCCCC1 ZINC000057907886 375600781 /nfs/dbraw/zinc/60/07/81/375600781.db2.gz IJINYIIZYHODPS-UHFFFAOYSA-N 1 2 288.395 1.907 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cccc(F)c1C#N ZINC000427078709 247093050 /nfs/dbraw/zinc/09/30/50/247093050.db2.gz GKELTHXFGMBIKU-NSHDSACASA-N 1 2 291.326 1.148 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cccc(F)c1C#N ZINC000427078709 247093054 /nfs/dbraw/zinc/09/30/54/247093054.db2.gz GKELTHXFGMBIKU-NSHDSACASA-N 1 2 291.326 1.148 20 30 CDEDLO C=CCN(CCOC)c1cc(NCCCC)[nH+]c(N)n1 ZINC000343227760 375780257 /nfs/dbraw/zinc/78/02/57/375780257.db2.gz OJQANPWORADMJF-UHFFFAOYSA-N 1 2 279.388 1.740 20 30 CDEDLO C=CCN(CCOC)c1cc(NCCCC)nc(N)[nH+]1 ZINC000343227760 375780262 /nfs/dbraw/zinc/78/02/62/375780262.db2.gz OJQANPWORADMJF-UHFFFAOYSA-N 1 2 279.388 1.740 20 30 CDEDLO Cc1cccn2c(=O)cc(C[N@@H+](C)C[C@H](C)C#N)nc12 ZINC000049001105 375873547 /nfs/dbraw/zinc/87/35/47/375873547.db2.gz GGLFXNPCXLYLKC-LLVKDONJSA-N 1 2 270.336 1.594 20 30 CDEDLO Cc1cccn2c(=O)cc(C[N@H+](C)C[C@H](C)C#N)nc12 ZINC000049001105 375873551 /nfs/dbraw/zinc/87/35/51/375873551.db2.gz GGLFXNPCXLYLKC-LLVKDONJSA-N 1 2 270.336 1.594 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCO[C@@H](C)C1)CCC2 ZINC000328726302 375954720 /nfs/dbraw/zinc/95/47/20/375954720.db2.gz UMXHZOGYLAALMS-STQMWFEESA-N 1 2 292.383 1.704 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)CNC(=O)C2CCCCC2)C1 ZINC000328757747 375945661 /nfs/dbraw/zinc/94/56/61/375945661.db2.gz VHDSMBGHLAACQU-CYBMUJFWSA-N 1 2 297.399 1.810 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)CNC(=O)C2CCCCC2)C1 ZINC000328757747 375945668 /nfs/dbraw/zinc/94/56/68/375945668.db2.gz VHDSMBGHLAACQU-CYBMUJFWSA-N 1 2 297.399 1.810 20 30 CDEDLO N#Cc1ccc(N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000354623746 376851677 /nfs/dbraw/zinc/85/16/77/376851677.db2.gz FVZITYVOLQQCFR-UHFFFAOYSA-N 1 2 267.336 1.604 20 30 CDEDLO CC(C)NC(=O)C[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000129853968 377447796 /nfs/dbraw/zinc/44/77/96/377447796.db2.gz UZCACDGBTXMGKM-UHFFFAOYSA-N 1 2 262.328 1.634 20 30 CDEDLO CC(C)NC(=O)C[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000129853968 377447802 /nfs/dbraw/zinc/44/78/02/377447802.db2.gz UZCACDGBTXMGKM-UHFFFAOYSA-N 1 2 262.328 1.634 20 30 CDEDLO Cc1nc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)ccc1C#N ZINC000172621906 377655723 /nfs/dbraw/zinc/65/57/23/377655723.db2.gz DZHISNPGKNMEPI-LLVKDONJSA-N 1 2 283.335 1.524 20 30 CDEDLO COC(=O)C[N@H+](C)CCOc1ccc(C#N)cc1OC ZINC000172731028 377717729 /nfs/dbraw/zinc/71/77/29/377717729.db2.gz XEWBXYHOAKPLJD-UHFFFAOYSA-N 1 2 278.308 1.050 20 30 CDEDLO COC(=O)C[N@@H+](C)CCOc1ccc(C#N)cc1OC ZINC000172731028 377717739 /nfs/dbraw/zinc/71/77/39/377717739.db2.gz XEWBXYHOAKPLJD-UHFFFAOYSA-N 1 2 278.308 1.050 20 30 CDEDLO C#CCCOc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC)cc1 ZINC000093050281 378027345 /nfs/dbraw/zinc/02/73/45/378027345.db2.gz VKZOMMNGJDSYRT-MRXNPFEDSA-N 1 2 286.375 1.799 20 30 CDEDLO C#CCCOc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC)cc1 ZINC000093050281 378027350 /nfs/dbraw/zinc/02/73/50/378027350.db2.gz VKZOMMNGJDSYRT-MRXNPFEDSA-N 1 2 286.375 1.799 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](CCCO)Cc2ccccn2)C1=O ZINC000287739471 378278614 /nfs/dbraw/zinc/27/86/14/378278614.db2.gz LAERLAVEGQRGOS-HNNXBMFYSA-N 1 2 289.379 1.053 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](CCCO)Cc2ccccn2)C1=O ZINC000287739471 378278617 /nfs/dbraw/zinc/27/86/17/378278617.db2.gz LAERLAVEGQRGOS-HNNXBMFYSA-N 1 2 289.379 1.053 20 30 CDEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(S(N)(=O)=O)o1 ZINC000639110655 378457768 /nfs/dbraw/zinc/45/77/68/378457768.db2.gz ACCRCZUMRSDVSK-SNVBAGLBSA-N 1 2 270.354 1.468 20 30 CDEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(S(N)(=O)=O)o1 ZINC000639110655 378457772 /nfs/dbraw/zinc/45/77/72/378457772.db2.gz ACCRCZUMRSDVSK-SNVBAGLBSA-N 1 2 270.354 1.468 20 30 CDEDLO C=CCSCCNC(=O)NCc1c[nH+]ccc1OC ZINC000292817871 378516802 /nfs/dbraw/zinc/51/68/02/378516802.db2.gz WUGKORPCPAUVKB-UHFFFAOYSA-N 1 2 281.381 1.809 20 30 CDEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000293234540 378548171 /nfs/dbraw/zinc/54/81/71/378548171.db2.gz SLKPIDCWYBEAKL-LBPRGKRZSA-N 1 2 287.363 1.927 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000293234540 378548172 /nfs/dbraw/zinc/54/81/72/378548172.db2.gz SLKPIDCWYBEAKL-LBPRGKRZSA-N 1 2 287.363 1.927 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000293360873 378570873 /nfs/dbraw/zinc/57/08/73/378570873.db2.gz ZWMLZRGIFZOHHZ-ZDUSSCGKSA-N 1 2 256.349 1.919 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000293360873 378570875 /nfs/dbraw/zinc/57/08/75/378570875.db2.gz ZWMLZRGIFZOHHZ-ZDUSSCGKSA-N 1 2 256.349 1.919 20 30 CDEDLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)NCC#N)s1 ZINC000066539720 378671673 /nfs/dbraw/zinc/67/16/73/378671673.db2.gz JEXCDEBTHHXFSF-SECBINFHSA-N 1 2 266.370 1.393 20 30 CDEDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)NCC#N)s1 ZINC000066539720 378671675 /nfs/dbraw/zinc/67/16/75/378671675.db2.gz JEXCDEBTHHXFSF-SECBINFHSA-N 1 2 266.370 1.393 20 30 CDEDLO C#CCO[C@@H](C)C(=O)Oc1ccc2c(c1)[nH+]c(C)n2C ZINC000295952095 378702579 /nfs/dbraw/zinc/70/25/79/378702579.db2.gz BCBKLOYOWOLYEC-JTQLQIEISA-N 1 2 272.304 1.825 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000186065896 378829105 /nfs/dbraw/zinc/82/91/05/378829105.db2.gz UZSKYGAUFGYNRY-VIFPVBQESA-N 1 2 292.301 1.521 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343545559 378906017 /nfs/dbraw/zinc/90/60/17/378906017.db2.gz YRWWFVHDLMWLDB-HUUCEWRRSA-N 1 2 288.347 1.515 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000343545559 378906021 /nfs/dbraw/zinc/90/60/21/378906021.db2.gz YRWWFVHDLMWLDB-HUUCEWRRSA-N 1 2 288.347 1.515 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc3cccc(C)n23)C1=O ZINC000343599932 378924360 /nfs/dbraw/zinc/92/43/60/378924360.db2.gz IDWCLYBLPYGVIT-OAHLLOKOSA-N 1 2 298.390 1.861 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc3cccc(C)n23)C1=O ZINC000343599932 378924366 /nfs/dbraw/zinc/92/43/66/378924366.db2.gz IDWCLYBLPYGVIT-OAHLLOKOSA-N 1 2 298.390 1.861 20 30 CDEDLO Cc1cc(C[NH2+]Cc2cc(C(N)=O)no2)ccc1C#N ZINC000446758150 250312923 /nfs/dbraw/zinc/31/29/23/250312923.db2.gz GLHIGTKNYGCNKW-UHFFFAOYSA-N 1 2 270.292 1.243 20 30 CDEDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000042294820 379560592 /nfs/dbraw/zinc/56/05/92/379560592.db2.gz DFSQAERUAYEERB-ZDUSSCGKSA-N 1 2 261.300 1.408 20 30 CDEDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000042294820 379560597 /nfs/dbraw/zinc/56/05/97/379560597.db2.gz DFSQAERUAYEERB-ZDUSSCGKSA-N 1 2 261.300 1.408 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC000279004475 194248075 /nfs/dbraw/zinc/24/80/75/194248075.db2.gz KVYYQLAVDDXKQD-UKRRQHHQSA-N 1 2 289.379 1.981 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000280905932 195023823 /nfs/dbraw/zinc/02/38/23/195023823.db2.gz CQTVAFNMURZEDJ-NSHDSACASA-N 1 2 291.351 1.252 20 30 CDEDLO CCn1cnc2c(c1=O)CC[N@H+](Cc1ccccc1C#N)C2 ZINC000280923831 195030278 /nfs/dbraw/zinc/03/02/78/195030278.db2.gz GMZWWLFYMOYQAX-UHFFFAOYSA-N 1 2 294.358 1.693 20 30 CDEDLO CCn1cnc2c(c1=O)CC[N@@H+](Cc1ccccc1C#N)C2 ZINC000280923831 195030281 /nfs/dbraw/zinc/03/02/81/195030281.db2.gz GMZWWLFYMOYQAX-UHFFFAOYSA-N 1 2 294.358 1.693 20 30 CDEDLO Cc1nsc(N2CCN(Cc3c[nH+]c[nH]3)CC2)c1C#N ZINC000289411423 197335048 /nfs/dbraw/zinc/33/50/48/197335048.db2.gz GYOVNMMWKRJTKA-UHFFFAOYSA-N 1 2 288.380 1.369 20 30 CDEDLO Cc1nsc(N2CCN(Cc3c[nH]c[nH+]3)CC2)c1C#N ZINC000289411423 197335050 /nfs/dbraw/zinc/33/50/50/197335050.db2.gz GYOVNMMWKRJTKA-UHFFFAOYSA-N 1 2 288.380 1.369 20 30 CDEDLO C#Cc1ccccc1CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000289401700 197329906 /nfs/dbraw/zinc/32/99/06/197329906.db2.gz ADFZQLKSSUJTLZ-CYBMUJFWSA-N 1 2 267.332 1.612 20 30 CDEDLO C[C@@H](C#N)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000347080005 533114190 /nfs/dbraw/zinc/11/41/90/533114190.db2.gz ICARJPVRDAIOGQ-JOYOIKCWSA-N 1 2 281.306 1.843 20 30 CDEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)NCC)CC2)cc1 ZINC000289054961 197222401 /nfs/dbraw/zinc/22/24/01/197222401.db2.gz IQNVVYZPBSXMQM-UHFFFAOYSA-N 1 2 271.364 1.515 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)NC(C)(C)CC)C1=O ZINC000281231081 195159346 /nfs/dbraw/zinc/15/93/46/195159346.db2.gz FKUBLSOMJHDIJT-STQMWFEESA-N 1 2 295.427 1.398 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)NC(C)(C)CC)C1=O ZINC000281231081 195159348 /nfs/dbraw/zinc/15/93/48/195159348.db2.gz FKUBLSOMJHDIJT-STQMWFEESA-N 1 2 295.427 1.398 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000281376563 195216308 /nfs/dbraw/zinc/21/63/08/195216308.db2.gz UFWSFIFGCMYGSZ-UHFFFAOYSA-N 1 2 272.308 1.819 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)c2cnccn2)C1=O ZINC000281462390 195249626 /nfs/dbraw/zinc/24/96/26/195249626.db2.gz VICVBMJIMXCPRO-YPMHNXCESA-N 1 2 260.341 1.256 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)c2cnccn2)C1=O ZINC000281462390 195249629 /nfs/dbraw/zinc/24/96/29/195249629.db2.gz VICVBMJIMXCPRO-YPMHNXCESA-N 1 2 260.341 1.256 20 30 CDEDLO CC[C@@H](CC(F)(F)F)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000517747982 260035772 /nfs/dbraw/zinc/03/57/72/260035772.db2.gz NDIHIHDBXRJWSB-GXSJLCMTSA-N 1 2 279.306 1.925 20 30 CDEDLO COc1cc(C[NH2+][C@H](C)c2nnc3n2CCC3)ccc1C#N ZINC000281636274 195316790 /nfs/dbraw/zinc/31/67/90/195316790.db2.gz IQYMVLZQMTXJNF-LLVKDONJSA-N 1 2 297.362 1.955 20 30 CDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(=O)NC ZINC000298046310 390313897 /nfs/dbraw/zinc/31/38/97/390313897.db2.gz HHYFFAORXFSWJW-NSHDSACASA-N 1 2 291.326 1.105 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(=O)NC ZINC000298046310 390313898 /nfs/dbraw/zinc/31/38/98/390313898.db2.gz HHYFFAORXFSWJW-NSHDSACASA-N 1 2 291.326 1.105 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)CCOCCO)c1C ZINC000282259556 195554541 /nfs/dbraw/zinc/55/45/41/195554541.db2.gz CRXQSFUJGOATOG-UHFFFAOYSA-N 1 2 294.395 1.414 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)CCOCCO)c1C ZINC000282259556 195554543 /nfs/dbraw/zinc/55/45/43/195554543.db2.gz CRXQSFUJGOATOG-UHFFFAOYSA-N 1 2 294.395 1.414 20 30 CDEDLO COC(=O)CSCC/[NH+]=C/c1ccccc1O ZINC000105570368 390512957 /nfs/dbraw/zinc/51/29/57/390512957.db2.gz BBWTUIHJGABDLG-MDWZMJQESA-N 1 2 253.323 1.717 20 30 CDEDLO N#CCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000103480071 390478609 /nfs/dbraw/zinc/47/86/09/390478609.db2.gz ZKEMNMDOUFTCFC-ZDUSSCGKSA-N 1 2 276.315 1.935 20 30 CDEDLO N#CCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000103480071 390478612 /nfs/dbraw/zinc/47/86/12/390478612.db2.gz ZKEMNMDOUFTCFC-ZDUSSCGKSA-N 1 2 276.315 1.935 20 30 CDEDLO NC(CCO)=[NH+]OCc1noc(-c2ccc(Cl)cc2)n1 ZINC000121323332 390883376 /nfs/dbraw/zinc/88/33/76/390883376.db2.gz AZMMHIZAUIAFPM-UHFFFAOYSA-N 1 2 296.714 1.561 20 30 CDEDLO Cc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)CCO)cc1C ZINC000121421703 390885757 /nfs/dbraw/zinc/88/57/57/390885757.db2.gz GWNPESNZGURUTF-LLVKDONJSA-N 1 2 279.340 1.302 20 30 CDEDLO N#CCCCCS(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000121411846 390885782 /nfs/dbraw/zinc/88/57/82/390885782.db2.gz LFZLVFUZTCFBRS-LBPRGKRZSA-N 1 2 296.396 1.960 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000357918576 390912116 /nfs/dbraw/zinc/91/21/16/390912116.db2.gz UCWAHFBPCRHQMU-QMMMGPOBSA-N 1 2 274.246 1.563 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]CC1=CCCOC1 ZINC000329554733 391014065 /nfs/dbraw/zinc/01/40/65/391014065.db2.gz QAXDVWLQJUSSNB-GFCCVEGCSA-N 1 2 276.340 1.048 20 30 CDEDLO [O-]C(NCC1=CCCOC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000329554733 391014071 /nfs/dbraw/zinc/01/40/71/391014071.db2.gz QAXDVWLQJUSSNB-GFCCVEGCSA-N 1 2 276.340 1.048 20 30 CDEDLO O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H]1C(=O)NC1CC1 ZINC000329416946 390983362 /nfs/dbraw/zinc/98/33/62/390983362.db2.gz FVKZPPLZMXJXAD-LBPRGKRZSA-N 1 2 276.340 1.452 20 30 CDEDLO O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H]1C(=O)NC1CC1 ZINC000329416946 390983364 /nfs/dbraw/zinc/98/33/64/390983364.db2.gz FVKZPPLZMXJXAD-LBPRGKRZSA-N 1 2 276.340 1.452 20 30 CDEDLO O=C(NCCc1[nH]cc[nH+]1)C1(N2CCOCC2)CCC1 ZINC000329482849 390996283 /nfs/dbraw/zinc/99/62/83/390996283.db2.gz WHDQJOLMMZYCRC-UHFFFAOYSA-N 1 2 278.356 1.164 20 30 CDEDLO C[C@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)C1=CC[N@H+](C)CC1 ZINC000329511512 391001290 /nfs/dbraw/zinc/00/12/90/391001290.db2.gz NDGQUZQKESSOIJ-WCQYABFASA-N 1 2 279.384 1.462 20 30 CDEDLO C[C@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)C1=CC[N@@H+](C)CC1 ZINC000329511512 391001296 /nfs/dbraw/zinc/00/12/96/391001296.db2.gz NDGQUZQKESSOIJ-WCQYABFASA-N 1 2 279.384 1.462 20 30 CDEDLO Cc1csc(=O)n1CC[NH+]1CCC(F)(C#N)CC1 ZINC000352484436 391155358 /nfs/dbraw/zinc/15/53/58/391155358.db2.gz PFJHDOJMWNTYOY-UHFFFAOYSA-N 1 2 269.345 1.546 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000374292430 391158076 /nfs/dbraw/zinc/15/80/76/391158076.db2.gz NOJGMMZNIFNRED-AWEZNQCLSA-N 1 2 298.390 1.629 20 30 CDEDLO C=CCCS(=O)(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000374346942 391159913 /nfs/dbraw/zinc/15/99/13/391159913.db2.gz ALNATUIWINFOEC-CQSZACIVSA-N 1 2 280.393 1.669 20 30 CDEDLO C=CCCS(=O)(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000374346942 391159916 /nfs/dbraw/zinc/15/99/16/391159916.db2.gz ALNATUIWINFOEC-CQSZACIVSA-N 1 2 280.393 1.669 20 30 CDEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1cccc(C(N)=O)c1 ZINC000266178754 391170792 /nfs/dbraw/zinc/17/07/92/391170792.db2.gz FQJZXAGIGVMKFZ-LLVKDONJSA-N 1 2 293.367 1.635 20 30 CDEDLO CCc1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000304234237 391161819 /nfs/dbraw/zinc/16/18/19/391161819.db2.gz PADPPLXPTMZTDN-AWEZNQCLSA-N 1 2 262.353 1.834 20 30 CDEDLO CCc1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000304234237 391161822 /nfs/dbraw/zinc/16/18/22/391161822.db2.gz PADPPLXPTMZTDN-AWEZNQCLSA-N 1 2 262.353 1.834 20 30 CDEDLO N#CCCCCS(=O)(=O)NCCNc1cccc[nH+]1 ZINC000268480381 391218106 /nfs/dbraw/zinc/21/81/06/391218106.db2.gz JGROQSPFANWBLT-UHFFFAOYSA-N 1 2 282.369 1.107 20 30 CDEDLO COC1(CCN(CCC#N)CC[NH+]2CCOCC2)CCC1 ZINC000339009747 391240914 /nfs/dbraw/zinc/24/09/14/391240914.db2.gz IDNYIFYDGZJEJG-UHFFFAOYSA-N 1 2 295.427 1.493 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000269566540 391252099 /nfs/dbraw/zinc/25/20/99/391252099.db2.gz MJWADNDZQFVGGQ-RYUDHWBXSA-N 1 2 288.351 1.815 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000269566540 391252100 /nfs/dbraw/zinc/25/21/00/391252100.db2.gz MJWADNDZQFVGGQ-RYUDHWBXSA-N 1 2 288.351 1.815 20 30 CDEDLO CC[N@@H+](CC(=O)NCc1cccc(C#N)c1)C[C@@H](C)C#N ZINC000353285478 391322063 /nfs/dbraw/zinc/32/20/63/391322063.db2.gz YITUIZAAUJGIMA-ZDUSSCGKSA-N 1 2 284.363 1.656 20 30 CDEDLO CC[N@H+](CC(=O)NCc1cccc(C#N)c1)C[C@@H](C)C#N ZINC000353285478 391322065 /nfs/dbraw/zinc/32/20/65/391322065.db2.gz YITUIZAAUJGIMA-ZDUSSCGKSA-N 1 2 284.363 1.656 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]1C(=O)OC ZINC000050049838 391409141 /nfs/dbraw/zinc/40/91/41/391409141.db2.gz BCKWTROQAAGLHA-LBPRGKRZSA-N 1 2 268.357 1.048 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1C(=O)OC ZINC000050049838 391409144 /nfs/dbraw/zinc/40/91/44/391409144.db2.gz BCKWTROQAAGLHA-LBPRGKRZSA-N 1 2 268.357 1.048 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)C1=O ZINC000330385668 391412972 /nfs/dbraw/zinc/41/29/72/391412972.db2.gz LQBVKLXMCVNTDK-ZDUSSCGKSA-N 1 2 290.411 1.926 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)C1=O ZINC000330385668 391412975 /nfs/dbraw/zinc/41/29/75/391412975.db2.gz LQBVKLXMCVNTDK-ZDUSSCGKSA-N 1 2 290.411 1.926 20 30 CDEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1CC(=O)NCC#N ZINC000330442667 391432996 /nfs/dbraw/zinc/43/29/96/391432996.db2.gz FLHKMQXRJYELHN-LBPRGKRZSA-N 1 2 275.356 1.070 20 30 CDEDLO CC[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@@H](CC)C1 ZINC000330439705 391433015 /nfs/dbraw/zinc/43/30/15/391433015.db2.gz CMJXQHOAEHVOCB-STQMWFEESA-N 1 2 267.373 1.248 20 30 CDEDLO CC[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@@H](CC)C1 ZINC000330439705 391433016 /nfs/dbraw/zinc/43/30/16/391433016.db2.gz CMJXQHOAEHVOCB-STQMWFEESA-N 1 2 267.373 1.248 20 30 CDEDLO CC1CCC(NC(=O)C[N@H+](C)CCNC(=O)N(C)C)CC1 ZINC000330614709 391459417 /nfs/dbraw/zinc/45/94/17/391459417.db2.gz BGXCPOVQFMIYEC-UHFFFAOYSA-N 1 2 298.431 1.089 20 30 CDEDLO CC1CCC(NC(=O)C[N@@H+](C)CCNC(=O)N(C)C)CC1 ZINC000330614709 391459420 /nfs/dbraw/zinc/45/94/20/391459420.db2.gz BGXCPOVQFMIYEC-UHFFFAOYSA-N 1 2 298.431 1.089 20 30 CDEDLO CCc1noc(C)c1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000330624044 391461627 /nfs/dbraw/zinc/46/16/27/391461627.db2.gz QMKQWVMHUONYGX-MNOVXSKESA-N 1 2 295.383 1.959 20 30 CDEDLO CC[C@@H](NC(=O)N(C)Cc1[nH+]ccn1C)C1CCOCC1 ZINC000330712312 391473011 /nfs/dbraw/zinc/47/30/11/391473011.db2.gz VPRUMOYSSFEUDI-CYBMUJFWSA-N 1 2 294.399 1.971 20 30 CDEDLO CC(C)[C@H]1C(=O)NCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000160114881 391504027 /nfs/dbraw/zinc/50/40/27/391504027.db2.gz DMEGRSQHSZCVPC-HNNXBMFYSA-N 1 2 274.339 1.634 20 30 CDEDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000160114881 391504030 /nfs/dbraw/zinc/50/40/30/391504030.db2.gz DMEGRSQHSZCVPC-HNNXBMFYSA-N 1 2 274.339 1.634 20 30 CDEDLO CC[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)C[C@@H](C)O1 ZINC000567896444 391546065 /nfs/dbraw/zinc/54/60/65/391546065.db2.gz OEXMMVBETUILOH-BXUZGUMPSA-N 1 2 285.351 1.600 20 30 CDEDLO CC[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)C[C@@H](C)O1 ZINC000567896444 391546068 /nfs/dbraw/zinc/54/60/68/391546068.db2.gz OEXMMVBETUILOH-BXUZGUMPSA-N 1 2 285.351 1.600 20 30 CDEDLO CN(CC#N)C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000360277652 391652819 /nfs/dbraw/zinc/65/28/19/391652819.db2.gz BMMLDAQSMFLEDA-GFCCVEGCSA-N 1 2 258.325 1.280 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCc3c(F)cccc3C2)C1=O ZINC000282070471 391670122 /nfs/dbraw/zinc/67/01/22/391670122.db2.gz SVGAGHSGDAECPI-OAHLLOKOSA-N 1 2 274.339 1.971 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCc3c(F)cccc3C2)C1=O ZINC000282070471 391670126 /nfs/dbraw/zinc/67/01/26/391670126.db2.gz SVGAGHSGDAECPI-OAHLLOKOSA-N 1 2 274.339 1.971 20 30 CDEDLO C=CC[N@@H+](CCOCCCC)[C@H]1CCS(=O)(=O)C1 ZINC000361983498 391705708 /nfs/dbraw/zinc/70/57/08/391705708.db2.gz NZVRGZYIBXMZCX-ZDUSSCGKSA-N 1 2 275.414 1.478 20 30 CDEDLO C=CC[N@H+](CCOCCCC)[C@H]1CCS(=O)(=O)C1 ZINC000361983498 391705713 /nfs/dbraw/zinc/70/57/13/391705713.db2.gz NZVRGZYIBXMZCX-ZDUSSCGKSA-N 1 2 275.414 1.478 20 30 CDEDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1CC(=O)NCC#N ZINC000334376912 392113753 /nfs/dbraw/zinc/11/37/53/392113753.db2.gz FMFFJDDUSLKPSJ-WDEREUQCSA-N 1 2 275.327 1.773 20 30 CDEDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1CC(=O)NCC#N ZINC000334376912 392113760 /nfs/dbraw/zinc/11/37/60/392113760.db2.gz FMFFJDDUSLKPSJ-WDEREUQCSA-N 1 2 275.327 1.773 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H](C)O1 ZINC000252010741 392246170 /nfs/dbraw/zinc/24/61/70/392246170.db2.gz XPPAFQVTOSJTAI-FZMZJTMJSA-N 1 2 278.327 1.933 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H](C)O1 ZINC000252010741 392246173 /nfs/dbraw/zinc/24/61/73/392246173.db2.gz XPPAFQVTOSJTAI-FZMZJTMJSA-N 1 2 278.327 1.933 20 30 CDEDLO Cc1cc(N2CCC[C@@H](c3nncn3C)C2)c(C#N)c[nH+]1 ZINC000519763019 392847101 /nfs/dbraw/zinc/84/71/01/392847101.db2.gz FPVHNBLCLAZMPY-GFCCVEGCSA-N 1 2 282.351 1.774 20 30 CDEDLO CC(=O)N1CC[N@H+](Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000268697267 132050821 /nfs/dbraw/zinc/05/08/21/132050821.db2.gz QGDSORCNEYEDLM-LBPRGKRZSA-N 1 2 257.337 1.611 20 30 CDEDLO CC(=O)N1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000268697267 132050823 /nfs/dbraw/zinc/05/08/23/132050823.db2.gz QGDSORCNEYEDLM-LBPRGKRZSA-N 1 2 257.337 1.611 20 30 CDEDLO Cc1cc(NCc2nncn2C(C)C)c(C#N)c[nH+]1 ZINC000425229962 392998909 /nfs/dbraw/zinc/99/89/09/392998909.db2.gz RCFNUSZNLAAQBQ-UHFFFAOYSA-N 1 2 256.313 1.468 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)[C@H](C(N)=O)C1 ZINC000192206646 393154623 /nfs/dbraw/zinc/15/46/23/393154623.db2.gz YSPQIACRHZWGEH-YGRLFVJLSA-N 1 2 275.327 1.783 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@H](C(N)=O)C1 ZINC000192206646 393154625 /nfs/dbraw/zinc/15/46/25/393154625.db2.gz YSPQIACRHZWGEH-YGRLFVJLSA-N 1 2 275.327 1.783 20 30 CDEDLO Cc1nnc(N2CC[NH+](Cc3ccco3)CC2)c(C#N)c1C ZINC000040490475 134862402 /nfs/dbraw/zinc/86/24/02/134862402.db2.gz LJNXRTRSJQJFBO-UHFFFAOYSA-N 1 2 297.362 1.880 20 30 CDEDLO CC(=O)N1CCC[N@H+](Cc2cccc(C#N)c2F)CC1 ZINC000223515970 140171792 /nfs/dbraw/zinc/17/17/92/140171792.db2.gz LBMGIJKHYQVIAV-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO CC(=O)N1CCC[N@@H+](Cc2cccc(C#N)c2F)CC1 ZINC000223515970 140171793 /nfs/dbraw/zinc/17/17/93/140171793.db2.gz LBMGIJKHYQVIAV-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(C#N)c(F)c1 ZINC000335673470 150918209 /nfs/dbraw/zinc/91/82/09/150918209.db2.gz JTBANUUFOAOBNZ-UHFFFAOYSA-N 1 2 273.271 1.753 20 30 CDEDLO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000336118174 151283699 /nfs/dbraw/zinc/28/36/99/151283699.db2.gz PBILDHCDUFRCMQ-CQSZACIVSA-N 1 2 275.327 1.750 20 30 CDEDLO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000336118174 151283701 /nfs/dbraw/zinc/28/37/01/151283701.db2.gz PBILDHCDUFRCMQ-CQSZACIVSA-N 1 2 275.327 1.750 20 30 CDEDLO N#Cc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)o1 ZINC000343580796 152232057 /nfs/dbraw/zinc/23/20/57/152232057.db2.gz NIRAOEYITKKMGO-LLVKDONJSA-N 1 2 282.303 1.555 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c1F ZINC000346161095 153077734 /nfs/dbraw/zinc/07/77/34/153077734.db2.gz NXOZSWWCVSRVFI-OAHLLOKOSA-N 1 2 276.311 1.689 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCO[C@]3(CCOC3)C2)c1F ZINC000346161095 153077739 /nfs/dbraw/zinc/07/77/39/153077739.db2.gz NXOZSWWCVSRVFI-OAHLLOKOSA-N 1 2 276.311 1.689 20 30 CDEDLO CCOC(=O)c1cnn(CCCn2cc[nH+]c2)c1C#N ZINC000352341157 155106645 /nfs/dbraw/zinc/10/66/45/155106645.db2.gz FPKNJNLIRAPXHM-UHFFFAOYSA-N 1 2 273.296 1.218 20 30 CDEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NCc1c[nH+]cn1C ZINC000359108588 158128524 /nfs/dbraw/zinc/12/85/24/158128524.db2.gz TVOMAZJXWLVBHS-UHFFFAOYSA-N 1 2 293.334 1.215 20 30 CDEDLO Cc1[nH+]cc(CNc2n[nH]cc2C#N)n1-c1ccccc1 ZINC000362355852 159128509 /nfs/dbraw/zinc/12/85/09/159128509.db2.gz HTDGXBRITUGYLL-UHFFFAOYSA-N 1 2 278.319 1.810 20 30 CDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCCOCC2)c(C#N)c1C ZINC000363153555 159303069 /nfs/dbraw/zinc/30/30/69/159303069.db2.gz TVNSGNXHPXEDOV-NSHDSACASA-N 1 2 291.351 1.817 20 30 CDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCCOCC2)c(C#N)c1C ZINC000363153555 159303071 /nfs/dbraw/zinc/30/30/71/159303071.db2.gz TVNSGNXHPXEDOV-NSHDSACASA-N 1 2 291.351 1.817 20 30 CDEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2c[nH]nn2)CC1 ZINC000284326658 196031528 /nfs/dbraw/zinc/03/15/28/196031528.db2.gz QCGCJJQOFMHEEZ-UHFFFAOYSA-N 1 2 282.351 1.389 20 30 CDEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2c[nH]nn2)CC1 ZINC000284326658 196031529 /nfs/dbraw/zinc/03/15/29/196031529.db2.gz QCGCJJQOFMHEEZ-UHFFFAOYSA-N 1 2 282.351 1.389 20 30 CDEDLO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2nncs2)C1 ZINC000661381717 414039622 /nfs/dbraw/zinc/03/96/22/414039622.db2.gz OSJMLKBHDRWOEV-SNVBAGLBSA-N 1 2 266.370 1.765 20 30 CDEDLO C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2nncs2)C1 ZINC000661381717 414039632 /nfs/dbraw/zinc/03/96/32/414039632.db2.gz OSJMLKBHDRWOEV-SNVBAGLBSA-N 1 2 266.370 1.765 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2cnc(C)s2)nn1 ZINC000657348452 414211799 /nfs/dbraw/zinc/21/17/99/414211799.db2.gz WPNSSEOLEZJPPW-UHFFFAOYSA-N 1 2 263.370 1.909 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000662168422 414548119 /nfs/dbraw/zinc/54/81/19/414548119.db2.gz FVJMRELADUPHLX-VXNVDRBHSA-N 1 2 272.146 1.437 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c1 ZINC000045096994 175307337 /nfs/dbraw/zinc/30/73/37/175307337.db2.gz JJJMUUNLZGNAOJ-HNNXBMFYSA-N 1 2 287.338 1.940 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)c1 ZINC000045096994 175307338 /nfs/dbraw/zinc/30/73/38/175307338.db2.gz JJJMUUNLZGNAOJ-HNNXBMFYSA-N 1 2 287.338 1.940 20 30 CDEDLO CCOC(=O)C[N@H+](C)CCOc1ccc(C#N)cc1OC ZINC000077271638 177247090 /nfs/dbraw/zinc/24/70/90/177247090.db2.gz FRSQFJACIVEKDU-UHFFFAOYSA-N 1 2 292.335 1.441 20 30 CDEDLO CCOC(=O)C[N@@H+](C)CCOc1ccc(C#N)cc1OC ZINC000077271638 177247093 /nfs/dbraw/zinc/24/70/93/177247093.db2.gz FRSQFJACIVEKDU-UHFFFAOYSA-N 1 2 292.335 1.441 20 30 CDEDLO COC[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1ccc(C)o1 ZINC000347199956 226083826 /nfs/dbraw/zinc/08/38/26/226083826.db2.gz CKFRMSLNCYEDDW-GFCCVEGCSA-N 1 2 291.351 1.428 20 30 CDEDLO CO[C@@H]1CCCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000329114393 227306588 /nfs/dbraw/zinc/30/65/88/227306588.db2.gz SGSLHCGTVYFJLI-QWHCGFSZSA-N 1 2 292.383 1.785 20 30 CDEDLO Cn1ccc(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000329052798 227275706 /nfs/dbraw/zinc/27/57/06/227275706.db2.gz RTDFYNBIUUBJMB-LLVKDONJSA-N 1 2 288.355 1.437 20 30 CDEDLO C[C@H](NC(=O)C1([NH+]2CCOCC2)CCC1)c1nncn1C ZINC000329129061 227315534 /nfs/dbraw/zinc/31/55/34/227315534.db2.gz VSYYONFDBNVFRI-NSHDSACASA-N 1 2 293.371 1.088 20 30 CDEDLO O=C(NCc1cn2ccccc2[nH+]1)N1CC(O)(C2CC2)C1 ZINC000329436226 227511082 /nfs/dbraw/zinc/51/10/82/227511082.db2.gz JTWOCIBTRLUTKH-UHFFFAOYSA-N 1 2 286.335 1.205 20 30 CDEDLO Cc1ncoc1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000329986924 228008029 /nfs/dbraw/zinc/00/80/29/228008029.db2.gz FRKZHAYFIBJYJI-SECBINFHSA-N 1 2 253.302 1.008 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H](O)C12CCCC2 ZINC000330348063 228162490 /nfs/dbraw/zinc/16/24/90/228162490.db2.gz IIFZEAHJZOAYNK-CHWSQXEVSA-N 1 2 292.383 1.565 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CC[C@@H](O)C12CCCC2 ZINC000330348063 228162491 /nfs/dbraw/zinc/16/24/91/228162491.db2.gz IIFZEAHJZOAYNK-CHWSQXEVSA-N 1 2 292.383 1.565 20 30 CDEDLO N#Cc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3C#N)C2=O)cc1 ZINC000333186125 228192255 /nfs/dbraw/zinc/19/22/55/228192255.db2.gz SYGAQJYVWCPPRM-IMJJTQAJSA-N 1 2 294.358 1.945 20 30 CDEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(C#N)cn1)C[C@@H](C)O2 ZINC000517754387 260163749 /nfs/dbraw/zinc/16/37/49/260163749.db2.gz BGIUMVKAJZIUSB-DVOMOZLQSA-N 1 2 287.363 1.722 20 30 CDEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(C#N)cn1)C[C@@H](C)O2 ZINC000517754387 260163750 /nfs/dbraw/zinc/16/37/50/260163750.db2.gz BGIUMVKAJZIUSB-DVOMOZLQSA-N 1 2 287.363 1.722 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000299186969 260174035 /nfs/dbraw/zinc/17/40/35/260174035.db2.gz CHXCTCZTOYNIJA-CQSZACIVSA-N 1 2 284.359 1.981 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NCc1cccs1 ZINC000299217510 260175059 /nfs/dbraw/zinc/17/50/59/260175059.db2.gz IAUGWEWFJGHKOD-LBPRGKRZSA-N 1 2 260.362 1.321 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000078666722 260301441 /nfs/dbraw/zinc/30/14/41/260301441.db2.gz DMAISABLZOPYMP-UHFFFAOYSA-N 1 2 263.341 1.327 20 30 CDEDLO C[C@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)C[C@H](C2CC2)O1 ZINC000518187638 260353373 /nfs/dbraw/zinc/35/33/73/260353373.db2.gz DHYYNCQUXWLEAD-XHDPSFHLSA-N 1 2 297.362 1.600 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)C[C@H](C2CC2)O1 ZINC000518187638 260353375 /nfs/dbraw/zinc/35/33/75/260353375.db2.gz DHYYNCQUXWLEAD-XHDPSFHLSA-N 1 2 297.362 1.600 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC#N)Cc1ccccn1 ZINC000518214644 260357996 /nfs/dbraw/zinc/35/79/96/260357996.db2.gz XPPGIFHFPGZGBG-ZDUSSCGKSA-N 1 2 297.362 1.926 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC#N)Cc1ccccn1 ZINC000518214644 260357998 /nfs/dbraw/zinc/35/79/98/260357998.db2.gz XPPGIFHFPGZGBG-ZDUSSCGKSA-N 1 2 297.362 1.926 20 30 CDEDLO CCc1cccc(C)c1NC(=O)CO[NH+]=C(N)CCO ZINC000136070013 260923562 /nfs/dbraw/zinc/92/35/62/260923562.db2.gz HUSULDGMOHZIJM-UHFFFAOYSA-N 1 2 279.340 1.167 20 30 CDEDLO N#CCCCC[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000156311943 261120024 /nfs/dbraw/zinc/12/00/24/261120024.db2.gz WQYWHTINBMBDSS-CQSZACIVSA-N 1 2 257.337 1.853 20 30 CDEDLO N#CCCCC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000156311943 261120025 /nfs/dbraw/zinc/12/00/25/261120025.db2.gz WQYWHTINBMBDSS-CQSZACIVSA-N 1 2 257.337 1.853 20 30 CDEDLO CNC(=O)C(C)(C)C/[NH+]=C/c1cccc(OC)c1O ZINC000157188908 261142445 /nfs/dbraw/zinc/14/24/45/261142445.db2.gz WOPXSVUZYAAPJD-LZYBPNLTSA-N 1 2 264.325 1.592 20 30 CDEDLO COCCCCO[NH+]=C(N)COc1ccccc1F ZINC000186866466 262113644 /nfs/dbraw/zinc/11/36/44/262113644.db2.gz AUMSISXTVMFBDP-UHFFFAOYSA-N 1 2 270.304 1.920 20 30 CDEDLO N#CCCN(Cc1ccco1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364402356 262230589 /nfs/dbraw/zinc/23/05/89/262230589.db2.gz XMHKBSYKPGOLOR-ZDUSSCGKSA-N 1 2 298.346 1.981 20 30 CDEDLO CC1(C#N)CC[NH+](Cc2cn3cccnc3n2)CC1 ZINC000272556679 263006516 /nfs/dbraw/zinc/00/65/16/263006516.db2.gz LIERDEDXBJCZRT-UHFFFAOYSA-N 1 2 255.325 1.855 20 30 CDEDLO N#CCC[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000275054142 263032334 /nfs/dbraw/zinc/03/23/34/263032334.db2.gz MQIITGALFKFPBJ-UHFFFAOYSA-N 1 2 266.732 1.887 20 30 CDEDLO NC(COc1ccccc1F)=[NH+]OCCC1OCCCO1 ZINC000275554964 263033611 /nfs/dbraw/zinc/03/36/11/263033611.db2.gz VSLIYVMWMKGJBE-UHFFFAOYSA-N 1 2 298.314 1.646 20 30 CDEDLO CO/N=C/C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000283025731 263080433 /nfs/dbraw/zinc/08/04/33/263080433.db2.gz MJDXSJVGIQMHAG-GZTJUZNOSA-N 1 2 276.340 1.320 20 30 CDEDLO COc1cccc(OCCO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000283758821 263084143 /nfs/dbraw/zinc/08/41/43/263084143.db2.gz ASNGKATXHQMFEX-ZDUSSCGKSA-N 1 2 280.324 1.542 20 30 CDEDLO COC(=O)C(C)(C)CC/[NH+]=C/c1c(CO)cnc(C)c1O ZINC000285596612 263094463 /nfs/dbraw/zinc/09/44/63/263094463.db2.gz UGHFMZUHCMIJNU-LZYBPNLTSA-N 1 2 294.351 1.596 20 30 CDEDLO C=CC[C@@H](CO)C[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000340315660 263110528 /nfs/dbraw/zinc/11/05/28/263110528.db2.gz DWDPRJHOQVXXMV-BXUZGUMPSA-N 1 2 290.342 1.807 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C#N)CC12CCCC2 ZINC000294652145 263165459 /nfs/dbraw/zinc/16/54/59/263165459.db2.gz YORHIWWULYKQIP-SWLSCSKDSA-N 1 2 272.352 1.862 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)C[C@H](C)C#N ZINC000299161589 263232382 /nfs/dbraw/zinc/23/23/82/263232382.db2.gz LKAOHIJWAQXDSR-OLZOCXBDSA-N 1 2 251.374 1.891 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000299161589 263232384 /nfs/dbraw/zinc/23/23/84/263232384.db2.gz LKAOHIJWAQXDSR-OLZOCXBDSA-N 1 2 251.374 1.891 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)NCc1ccccc1F ZINC000299171513 263233726 /nfs/dbraw/zinc/23/37/26/263233726.db2.gz SDBCSJSJJOXDRE-NWDGAFQWSA-N 1 2 277.343 1.922 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)NCc1ccccc1F ZINC000299171513 263233727 /nfs/dbraw/zinc/23/37/27/263233727.db2.gz SDBCSJSJJOXDRE-NWDGAFQWSA-N 1 2 277.343 1.922 20 30 CDEDLO COC[C@H](C)C/[NH+]=C/c1c(O)c(C)ncc1CO ZINC000299244685 263236069 /nfs/dbraw/zinc/23/60/69/263236069.db2.gz PRFSXTYYLFORQC-ISKYKNHCSA-N 1 2 252.314 1.289 20 30 CDEDLO CC#CCN(C)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000341001623 263315826 /nfs/dbraw/zinc/31/58/26/263315826.db2.gz BQZYPKGFZRZCSZ-UHFFFAOYSA-N 1 2 258.312 1.445 20 30 CDEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000341305627 263333272 /nfs/dbraw/zinc/33/32/72/263333272.db2.gz CSHVNWBZIIRWCN-VIFPVBQESA-N 1 2 297.305 1.627 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000342049927 263383564 /nfs/dbraw/zinc/38/35/64/263383564.db2.gz PUGXICJGZONPJP-CQSZACIVSA-N 1 2 290.411 1.667 20 30 CDEDLO COCCc1noc(C[NH+]2CCC(C)(C#N)CC2)n1 ZINC000330776358 264034917 /nfs/dbraw/zinc/03/49/17/264034917.db2.gz IXTWWRYXULVYPX-UHFFFAOYSA-N 1 2 264.329 1.384 20 30 CDEDLO C=CCC[C@@H](NC(=O)CCn1cc[nH+]c1)C(=O)OCC ZINC000456621284 264284223 /nfs/dbraw/zinc/28/42/23/264284223.db2.gz DYHFVGKNPWANIE-GFCCVEGCSA-N 1 2 279.340 1.287 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](OC)C2)nn1 ZINC000653541093 424257794 /nfs/dbraw/zinc/25/77/94/424257794.db2.gz DDXAQIXXVCESNV-CYBMUJFWSA-N 1 2 250.346 1.465 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](OC)C2)nn1 ZINC000653541093 424257797 /nfs/dbraw/zinc/25/77/97/424257797.db2.gz DDXAQIXXVCESNV-CYBMUJFWSA-N 1 2 250.346 1.465 20 30 CDEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)Cc1cccc(O)c1 ZINC000525886196 265035099 /nfs/dbraw/zinc/03/50/99/265035099.db2.gz ALGAJQHBMQXMLQ-UHFFFAOYSA-N 1 2 273.336 1.386 20 30 CDEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1cccc(O)c1 ZINC000525886196 265035103 /nfs/dbraw/zinc/03/51/03/265035103.db2.gz ALGAJQHBMQXMLQ-UHFFFAOYSA-N 1 2 273.336 1.386 20 30 CDEDLO C=CCCn1cc(CN(C)Cc2[nH+]ccn2C)nn1 ZINC000653592764 424307351 /nfs/dbraw/zinc/30/73/51/424307351.db2.gz QHAQFNAGLCWGHD-UHFFFAOYSA-N 1 2 260.345 1.220 20 30 CDEDLO C=CCOC[C@H]([NH2+]CC1(SC)CCC1)C(=O)OC ZINC000356326392 266096614 /nfs/dbraw/zinc/09/66/14/266096614.db2.gz XKBBHIXJMIVTDY-NSHDSACASA-N 1 2 273.398 1.606 20 30 CDEDLO C=CCN(CC=C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356368468 266103011 /nfs/dbraw/zinc/10/30/11/266103011.db2.gz URQXVKPGFLBWED-ZDUSSCGKSA-N 1 2 267.373 1.091 20 30 CDEDLO C=CCN(CC=C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356368468 266103014 /nfs/dbraw/zinc/10/30/14/266103014.db2.gz URQXVKPGFLBWED-ZDUSSCGKSA-N 1 2 267.373 1.091 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000357793823 266362687 /nfs/dbraw/zinc/36/26/87/266362687.db2.gz IVTQYSWKNGQMAA-WCQYABFASA-N 1 2 292.383 1.355 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1cccc(C#N)c1 ZINC000493284762 267282967 /nfs/dbraw/zinc/28/29/67/267282967.db2.gz FFJWCYJCLIXCRT-XITLMJRVSA-N 1 2 282.347 1.532 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCOC[C@H](C)C1 ZINC000332288211 278157463 /nfs/dbraw/zinc/15/74/63/278157463.db2.gz FLXIDOLCLUYXBQ-CHWSQXEVSA-N 1 2 287.363 1.854 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCOC[C@H](C)C1 ZINC000332288211 278157465 /nfs/dbraw/zinc/15/74/65/278157465.db2.gz FLXIDOLCLUYXBQ-CHWSQXEVSA-N 1 2 287.363 1.854 20 30 CDEDLO CC(C)[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1COC1 ZINC000333480057 279398637 /nfs/dbraw/zinc/39/86/37/279398637.db2.gz XTLLJPYAAHNMOL-UHFFFAOYSA-N 1 2 293.411 1.780 20 30 CDEDLO CC(C)[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1COC1 ZINC000333480057 279398639 /nfs/dbraw/zinc/39/86/39/279398639.db2.gz XTLLJPYAAHNMOL-UHFFFAOYSA-N 1 2 293.411 1.780 20 30 CDEDLO N#Cc1ccc(CC(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000135480461 279818600 /nfs/dbraw/zinc/81/86/00/279818600.db2.gz TUSZJOJHYNNAHH-UHFFFAOYSA-N 1 2 254.293 1.183 20 30 CDEDLO Cc1cc2ccccc2[nH+]c1NCCn1cnc(C#N)n1 ZINC000553645550 290131384 /nfs/dbraw/zinc/13/13/84/290131384.db2.gz YRIRNANIAIQCJH-UHFFFAOYSA-N 1 2 278.319 1.540 20 30 CDEDLO N#Cc1cccc(-c2cc(C(=O)NCc3[nH]cc[nH+]3)on2)c1 ZINC000556063328 290251478 /nfs/dbraw/zinc/25/14/78/290251478.db2.gz UWCUZCTWTAAUKS-UHFFFAOYSA-N 1 2 293.286 1.866 20 30 CDEDLO N#Cc1cncnc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000571784170 294505602 /nfs/dbraw/zinc/50/56/02/294505602.db2.gz LNLFBOWPOABDRR-UHFFFAOYSA-N 1 2 266.308 1.509 20 30 CDEDLO C=CCNc1ncc(C(=O)N[C@H](CC)c2[nH]cc[nH+]2)s1 ZINC000444780602 327636752 /nfs/dbraw/zinc/63/67/52/327636752.db2.gz GDGNLFDNNCQONB-SECBINFHSA-N 1 2 291.380 1.767 20 30 CDEDLO N#Cc1nccc(N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000312927392 316013012 /nfs/dbraw/zinc/01/30/12/316013012.db2.gz NKAVDAFJBFLUKE-UHFFFAOYSA-N 1 2 266.308 1.070 20 30 CDEDLO CSCc1cccnc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000570970715 327967046 /nfs/dbraw/zinc/96/70/46/327967046.db2.gz QINGMCIGIOJZSH-AWEZNQCLSA-N 1 2 292.408 1.518 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338184316 327969991 /nfs/dbraw/zinc/96/99/91/327969991.db2.gz CSFWLUDKHIBEMB-ZDUSSCGKSA-N 1 2 268.401 1.958 20 30 CDEDLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000264567333 328160565 /nfs/dbraw/zinc/16/05/65/328160565.db2.gz QDMNCJDPODBKHE-HNNXBMFYSA-N 1 2 287.363 1.545 20 30 CDEDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000264567333 328160567 /nfs/dbraw/zinc/16/05/67/328160567.db2.gz QDMNCJDPODBKHE-HNNXBMFYSA-N 1 2 287.363 1.545 20 30 CDEDLO Cc1nc(CC(N)=[NH+]OCCC2OCCCO2)cs1 ZINC000267934718 328181477 /nfs/dbraw/zinc/18/14/77/328181477.db2.gz WYTQKVNNJUNPTD-UHFFFAOYSA-N 1 2 285.369 1.436 20 30 CDEDLO CCN(CC#N)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000271040463 328194594 /nfs/dbraw/zinc/19/45/94/328194594.db2.gz NPLOEJHHLXCQKS-UHFFFAOYSA-N 1 2 287.363 1.504 20 30 CDEDLO NC(=[NH+]OCc1cc(F)ccc1F)[C@H]1CCCO1 ZINC000284612854 328246468 /nfs/dbraw/zinc/24/64/68/328246468.db2.gz ZCFKSLYMPKXPEU-LLVKDONJSA-N 1 2 256.252 1.933 20 30 CDEDLO C[C@@H](C#N)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000340433356 328276920 /nfs/dbraw/zinc/27/69/20/328276920.db2.gz AFLWZDOEIBMQMZ-NSHDSACASA-N 1 2 254.293 1.573 20 30 CDEDLO CNc1[nH+]cnc2c1cnn2Cc1ccc(F)cc1C#N ZINC000181838690 323251758 /nfs/dbraw/zinc/25/17/58/323251758.db2.gz VGZXULCSDCUQNM-UHFFFAOYSA-N 1 2 282.282 1.927 20 30 CDEDLO C[C@@]1(NC(=O)NCc2cn3c([nH+]2)CCCC3)CCOC1 ZINC000328873154 328459062 /nfs/dbraw/zinc/45/90/62/328459062.db2.gz QZCAAUOPNBJKIY-CQSZACIVSA-N 1 2 278.356 1.402 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000566183920 327158951 /nfs/dbraw/zinc/15/89/51/327158951.db2.gz DZNYWPJHBZMGOO-ZFWWWQNUSA-N 1 2 293.411 1.684 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000566183920 327158952 /nfs/dbraw/zinc/15/89/52/327158952.db2.gz DZNYWPJHBZMGOO-ZFWWWQNUSA-N 1 2 293.411 1.684 20 30 CDEDLO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1nnc2ccccn21 ZINC000560668568 327335394 /nfs/dbraw/zinc/33/53/94/327335394.db2.gz SRKFUYPYGYVJFI-RYUDHWBXSA-N 1 2 268.324 1.823 20 30 CDEDLO CCn1nc(C)c(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1C ZINC000570336718 327584604 /nfs/dbraw/zinc/58/46/04/327584604.db2.gz WJTOPHPPXHMMCI-HNNXBMFYSA-N 1 2 291.399 1.022 20 30 CDEDLO N#CC1(C[NH2+]CCS(=O)(=O)c2ccccc2)CC1 ZINC000583626976 328720027 /nfs/dbraw/zinc/72/00/27/328720027.db2.gz VHRKURHQLQGFFN-UHFFFAOYSA-N 1 2 264.350 1.354 20 30 CDEDLO C=CCC1(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CCC1 ZINC000191293014 329411921 /nfs/dbraw/zinc/41/19/21/329411921.db2.gz OSGFXDPNTGUUSF-ZIAGYGMSSA-N 1 2 280.412 1.958 20 30 CDEDLO CC#CCNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000135201681 329664578 /nfs/dbraw/zinc/66/45/78/329664578.db2.gz CMBJFNKGCZMTHD-UHFFFAOYSA-N 1 2 268.320 1.695 20 30 CDEDLO C#CC[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000161831975 329956489 /nfs/dbraw/zinc/95/64/89/329956489.db2.gz LIRHYQHXEWPBHM-SNVBAGLBSA-N 1 2 267.126 1.198 20 30 CDEDLO C=CCCCCNC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422584711 330149578 /nfs/dbraw/zinc/14/95/78/330149578.db2.gz AAUSNIVBBANDFK-UHFFFAOYSA-N 1 2 289.379 1.787 20 30 CDEDLO C=CCn1cc(CNCc2cn3cc(C)ccc3[nH+]2)nn1 ZINC000424167194 330309415 /nfs/dbraw/zinc/30/94/15/330309415.db2.gz BZTOJEULQLLOFZ-UHFFFAOYSA-N 1 2 282.351 1.710 20 30 CDEDLO N#C[C@@H]1N(CC[NH+]2CCOCC2)CCC[C@]12CCCCO2 ZINC000447908131 330879877 /nfs/dbraw/zinc/87/98/77/330879877.db2.gz UNBBSVDCEBXQQV-JKSUJKDBSA-N 1 2 293.411 1.246 20 30 CDEDLO C=CCC[C@H](CO)Nc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000450894665 331005404 /nfs/dbraw/zinc/00/54/04/331005404.db2.gz JSYCTOWEGGQUQA-LLVKDONJSA-N 1 2 279.388 1.222 20 30 CDEDLO C=CCC[C@H](CO)Nc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000450894665 331005405 /nfs/dbraw/zinc/00/54/05/331005405.db2.gz JSYCTOWEGGQUQA-LLVKDONJSA-N 1 2 279.388 1.222 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000456767851 331201945 /nfs/dbraw/zinc/20/19/45/331201945.db2.gz NGENDCKGMIHZDZ-RBSFLKMASA-N 1 2 298.427 1.319 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000456767851 331201946 /nfs/dbraw/zinc/20/19/46/331201946.db2.gz NGENDCKGMIHZDZ-RBSFLKMASA-N 1 2 298.427 1.319 20 30 CDEDLO CC(C)(CC#N)CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000458804562 331260231 /nfs/dbraw/zinc/26/02/31/331260231.db2.gz XNSKNZQDGGKYOK-CYBMUJFWSA-N 1 2 294.399 1.089 20 30 CDEDLO CC(C)(CC#N)CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000458804562 331260232 /nfs/dbraw/zinc/26/02/32/331260232.db2.gz XNSKNZQDGGKYOK-CYBMUJFWSA-N 1 2 294.399 1.089 20 30 CDEDLO C#CCN(C)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000490713511 332107120 /nfs/dbraw/zinc/10/71/20/332107120.db2.gz KPVRJFRIATVGJV-LLVKDONJSA-N 1 2 259.353 1.730 20 30 CDEDLO C#CCN(C)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000490713511 332107122 /nfs/dbraw/zinc/10/71/22/332107122.db2.gz KPVRJFRIATVGJV-LLVKDONJSA-N 1 2 259.353 1.730 20 30 CDEDLO C#CC[N@@H+](CC#CC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000490865821 332121943 /nfs/dbraw/zinc/12/19/43/332121943.db2.gz IEKQLBILADOTCK-HNNXBMFYSA-N 1 2 272.304 1.587 20 30 CDEDLO C#CC[N@H+](CC#CC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000490865821 332121945 /nfs/dbraw/zinc/12/19/45/332121945.db2.gz IEKQLBILADOTCK-HNNXBMFYSA-N 1 2 272.304 1.587 20 30 CDEDLO C#CCN(CC#CC)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000490873340 332123400 /nfs/dbraw/zinc/12/34/00/332123400.db2.gz INCJRKXBDDYTIL-OAHLLOKOSA-N 1 2 296.374 1.328 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1ccc(C(=O)OCC)o1 ZINC000490922441 332129496 /nfs/dbraw/zinc/12/94/96/332129496.db2.gz DIOOVMZEGXHLLX-UHFFFAOYSA-N 1 2 259.305 1.915 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(C(=O)OCC)o1 ZINC000490922441 332129497 /nfs/dbraw/zinc/12/94/97/332129497.db2.gz DIOOVMZEGXHLLX-UHFFFAOYSA-N 1 2 259.305 1.915 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@@H]2CC[C@H](C#N)C2)n1 ZINC000491068945 332145476 /nfs/dbraw/zinc/14/54/76/332145476.db2.gz SHPGORCYKLADNS-GOEBONIOSA-N 1 2 286.379 1.657 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)[C@@H]2CC[C@H](C#N)C2)n1 ZINC000491068945 332145477 /nfs/dbraw/zinc/14/54/77/332145477.db2.gz SHPGORCYKLADNS-GOEBONIOSA-N 1 2 286.379 1.657 20 30 CDEDLO C#CCN(c1nc(C)[nH+]c(N(C)C)n1)C1CCCC1 ZINC000491149187 332156993 /nfs/dbraw/zinc/15/69/93/332156993.db2.gz ZDLPZGIZUPREGJ-UHFFFAOYSA-N 1 2 259.357 1.628 20 30 CDEDLO C#CCN(c1nc(N(C)C)nc(C)[nH+]1)C1CCCC1 ZINC000491149187 332156994 /nfs/dbraw/zinc/15/69/94/332156994.db2.gz ZDLPZGIZUPREGJ-UHFFFAOYSA-N 1 2 259.357 1.628 20 30 CDEDLO C#CCNC(=O)C1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000491203381 332165197 /nfs/dbraw/zinc/16/51/97/332165197.db2.gz VRZBUGMTDPANAH-UHFFFAOYSA-N 1 2 297.811 1.758 20 30 CDEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCO[C@H](CC)C1)C(C)C ZINC000491504565 332224692 /nfs/dbraw/zinc/22/46/92/332224692.db2.gz IOINUDYXCYMZLK-ZIAGYGMSSA-N 1 2 281.400 1.054 20 30 CDEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCO[C@H](CC)C1)C(C)C ZINC000491504565 332224693 /nfs/dbraw/zinc/22/46/93/332224693.db2.gz IOINUDYXCYMZLK-ZIAGYGMSSA-N 1 2 281.400 1.054 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000491652455 332265199 /nfs/dbraw/zinc/26/51/99/332265199.db2.gz AJYRHESQLRJHHZ-GFCCVEGCSA-N 1 2 299.374 1.471 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000491652455 332265200 /nfs/dbraw/zinc/26/52/00/332265200.db2.gz AJYRHESQLRJHHZ-GFCCVEGCSA-N 1 2 299.374 1.471 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1F ZINC000491677595 332282568 /nfs/dbraw/zinc/28/25/68/332282568.db2.gz QUTALAODQRTKTP-LBPRGKRZSA-N 1 2 276.311 1.488 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1F ZINC000491677595 332282570 /nfs/dbraw/zinc/28/25/70/332282570.db2.gz QUTALAODQRTKTP-LBPRGKRZSA-N 1 2 276.311 1.488 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000491734757 332315550 /nfs/dbraw/zinc/31/55/50/332315550.db2.gz FBTRYDDKMLIDMU-SMDDNHRTSA-N 1 2 250.342 1.319 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000491734757 332315551 /nfs/dbraw/zinc/31/55/51/332315551.db2.gz FBTRYDDKMLIDMU-SMDDNHRTSA-N 1 2 250.342 1.319 20 30 CDEDLO C#CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000491736107 332316346 /nfs/dbraw/zinc/31/63/46/332316346.db2.gz UTJPHQQYQCAXFF-ZDUSSCGKSA-N 1 2 271.364 1.850 20 30 CDEDLO C#C[C@H]1COCCN1C(=O)NCc1c[nH+]c(C)cc1C ZINC000491740949 332319774 /nfs/dbraw/zinc/31/97/74/332319774.db2.gz PASYTKBFQDUYFJ-AWEZNQCLSA-N 1 2 273.336 1.242 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cc1cnc(C2OCCO2)s1 ZINC000491751949 332327912 /nfs/dbraw/zinc/32/79/12/332327912.db2.gz VGLVDKPGNHCDJA-VIFPVBQESA-N 1 2 252.339 1.642 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cc1cnc(C2OCCO2)s1 ZINC000491751949 332327913 /nfs/dbraw/zinc/32/79/13/332327913.db2.gz VGLVDKPGNHCDJA-VIFPVBQESA-N 1 2 252.339 1.642 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000491803137 332357195 /nfs/dbraw/zinc/35/71/95/332357195.db2.gz INHZSCCONGGCLA-AWEZNQCLSA-N 1 2 256.305 1.423 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000491803137 332357197 /nfs/dbraw/zinc/35/71/97/332357197.db2.gz INHZSCCONGGCLA-AWEZNQCLSA-N 1 2 256.305 1.423 20 30 CDEDLO Cc1ccncc1/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000493533270 332443987 /nfs/dbraw/zinc/44/39/87/332443987.db2.gz WEMAZOWBNYNLHG-YVACAVLKSA-N 1 2 272.352 1.363 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000192219433 333232591 /nfs/dbraw/zinc/23/25/91/333232591.db2.gz AFMTWCTXFOIJBG-GFCCVEGCSA-N 1 2 288.347 1.674 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000192219433 333232592 /nfs/dbraw/zinc/23/25/92/333232592.db2.gz AFMTWCTXFOIJBG-GFCCVEGCSA-N 1 2 288.347 1.674 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000192233566 333233072 /nfs/dbraw/zinc/23/30/72/333233072.db2.gz SVTQZSNRSFPODW-ZIAGYGMSSA-N 1 2 266.385 1.263 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000192233566 333233073 /nfs/dbraw/zinc/23/30/73/333233073.db2.gz SVTQZSNRSFPODW-ZIAGYGMSSA-N 1 2 266.385 1.263 20 30 CDEDLO C=C(C)CN(CC)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000522959332 333301094 /nfs/dbraw/zinc/30/10/94/333301094.db2.gz DQKCKNIMVOKHGL-UHFFFAOYSA-N 1 2 271.324 1.701 20 30 CDEDLO CCC(CC)[C@@H](C(=O)NC[C@H](C)C#N)[NH+]1CCOCC1 ZINC000173647548 335137439 /nfs/dbraw/zinc/13/74/39/335137439.db2.gz RHHZJDXBQFQPLN-OCCSQVGLSA-N 1 2 281.400 1.399 20 30 CDEDLO COc1ccc(OCC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000576947306 335267969 /nfs/dbraw/zinc/26/79/69/335267969.db2.gz NARBZJHJFYEHCJ-HNNXBMFYSA-N 1 2 291.351 1.034 20 30 CDEDLO Cc1nsc(C)c1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000581827613 336148354 /nfs/dbraw/zinc/14/83/54/336148354.db2.gz XIFCUWNXDRJSKG-LBPRGKRZSA-N 1 2 266.370 1.334 20 30 CDEDLO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCC#N)c1 ZINC000581997830 336187539 /nfs/dbraw/zinc/18/75/39/336187539.db2.gz CMYXAELUKLQNGI-SNVBAGLBSA-N 1 2 267.354 1.159 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1nc(C)c(C)o1 ZINC001481132394 1159538620 /nfs/dbraw/zinc/53/86/20/1159538620.db2.gz NQEPJCCPQHLEBA-NSHDSACASA-N 1 2 292.383 1.779 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1nc(C)c(C)o1 ZINC001481132394 1159538623 /nfs/dbraw/zinc/53/86/23/1159538623.db2.gz NQEPJCCPQHLEBA-NSHDSACASA-N 1 2 292.383 1.779 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000675497077 483319083 /nfs/dbraw/zinc/31/90/83/483319083.db2.gz XDKADFXFPNWTQQ-VHSXEESVSA-N 1 2 253.264 1.577 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000675497077 483319087 /nfs/dbraw/zinc/31/90/87/483319087.db2.gz XDKADFXFPNWTQQ-VHSXEESVSA-N 1 2 253.264 1.577 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ncccc1OC ZINC001409659169 1160869492 /nfs/dbraw/zinc/86/94/92/1160869492.db2.gz QYFRSFYTKTXRAJ-NSHDSACASA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ncccc1OC ZINC001409659169 1160869499 /nfs/dbraw/zinc/86/94/99/1160869499.db2.gz QYFRSFYTKTXRAJ-NSHDSACASA-N 1 2 297.786 1.893 20 30 CDEDLO C#CCN1CC2(C[NH+](Cc3ccccc3C)C2)OCC1=O ZINC001272637249 1161169347 /nfs/dbraw/zinc/16/93/47/1161169347.db2.gz JZKULYBGOYKOGJ-UHFFFAOYSA-N 1 2 284.359 1.041 20 30 CDEDLO C=CCCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000820454890 1161920035 /nfs/dbraw/zinc/92/00/35/1161920035.db2.gz NLTBLGNLHRNSKH-CYBMUJFWSA-N 1 2 262.357 1.872 20 30 CDEDLO C=CCCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000820454890 1161920037 /nfs/dbraw/zinc/92/00/37/1161920037.db2.gz NLTBLGNLHRNSKH-CYBMUJFWSA-N 1 2 262.357 1.872 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](COC)c1ccco1 ZINC000184597848 518592230 /nfs/dbraw/zinc/59/22/30/518592230.db2.gz STMGTYABNDWLGL-CYBMUJFWSA-N 1 2 280.368 1.981 20 30 CDEDLO CCOC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000184682961 521307667 /nfs/dbraw/zinc/30/76/67/521307667.db2.gz YZGMPWOGBKGNQF-HUUCEWRRSA-N 1 2 288.347 1.619 20 30 CDEDLO CCOC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000184682961 521307674 /nfs/dbraw/zinc/30/76/74/521307674.db2.gz YZGMPWOGBKGNQF-HUUCEWRRSA-N 1 2 288.347 1.619 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+](CCOCC(C)C)CC1 ZINC001113713803 1162264430 /nfs/dbraw/zinc/26/44/30/1162264430.db2.gz YWSQYFXDMMEZLJ-HNNXBMFYSA-N 1 2 298.427 1.394 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC001113714468 1162264676 /nfs/dbraw/zinc/26/46/76/1162264676.db2.gz FTAAZLXRUBDNAC-AWEZNQCLSA-N 1 2 284.400 1.147 20 30 CDEDLO O=C(NCc1cccnn1)C1([NH+]2CCOCC2)CCC1 ZINC000329967242 534758143 /nfs/dbraw/zinc/75/81/43/534758143.db2.gz VJVSDVSGUWYSHG-UHFFFAOYSA-N 1 2 276.340 1.188 20 30 CDEDLO C[C@H]1C[N@H+](Cc2cc(C#N)cs2)C[C@@]2(CCOC2)O1 ZINC000355651036 524611823 /nfs/dbraw/zinc/61/18/23/524611823.db2.gz BCRGZRIXEHCQRO-SMDDNHRTSA-N 1 2 278.377 2.000 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)cs2)C[C@@]2(CCOC2)O1 ZINC000355651036 524611831 /nfs/dbraw/zinc/61/18/31/524611831.db2.gz BCRGZRIXEHCQRO-SMDDNHRTSA-N 1 2 278.377 2.000 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000331431212 527931740 /nfs/dbraw/zinc/93/17/40/527931740.db2.gz GLODJHFOOJGXCA-INWMFGNUSA-N 1 2 293.411 1.540 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000331431212 527931746 /nfs/dbraw/zinc/93/17/46/527931746.db2.gz GLODJHFOOJGXCA-INWMFGNUSA-N 1 2 293.411 1.540 20 30 CDEDLO CC1CCC(NC(=O)C[N@@H+]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC000329013924 528166060 /nfs/dbraw/zinc/16/60/60/528166060.db2.gz FPWXHWLSGOCDLZ-RUXDESIVSA-N 1 2 293.411 1.828 20 30 CDEDLO CC1CCC(NC(=O)C[N@H+]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC000329013924 528166067 /nfs/dbraw/zinc/16/60/67/528166067.db2.gz FPWXHWLSGOCDLZ-RUXDESIVSA-N 1 2 293.411 1.828 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000332408562 528621395 /nfs/dbraw/zinc/62/13/95/528621395.db2.gz YWNYXCGCCYUKNU-STQMWFEESA-N 1 2 289.383 1.555 20 30 CDEDLO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCS1 ZINC000330178696 529345565 /nfs/dbraw/zinc/34/55/65/529345565.db2.gz DXJRDUSYYADNPJ-VXGBXAGGSA-N 1 2 294.424 1.939 20 30 CDEDLO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C[C@@H](C)O1 ZINC000330180423 529345874 /nfs/dbraw/zinc/34/58/74/529345874.db2.gz FYWNYAHMHVVBLO-JHJVBQTASA-N 1 2 292.383 1.611 20 30 CDEDLO CN(C)c1ccc(CNc2ccnc(C#N)c2)c[nH+]1 ZINC000341742786 536148018 /nfs/dbraw/zinc/14/80/18/536148018.db2.gz IGSVIPWKYXVUJW-UHFFFAOYSA-N 1 2 253.309 1.448 20 30 CDEDLO NC(=O)c1cccc(CC/[NH+]=C/c2cccc(O)c2O)c1 ZINC000726429870 574498890 /nfs/dbraw/zinc/49/88/90/574498890.db2.gz SXUPYJFSOQZRCY-VCHYOVAHSA-N 1 2 284.315 1.858 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)/C=C/c1ccccc1C#N ZINC000728544294 574636725 /nfs/dbraw/zinc/63/67/25/574636725.db2.gz BMZFATQZVGVCLR-VOTSOKGWSA-N 1 2 266.304 1.621 20 30 CDEDLO C#Cc1ccc(C(=O)NCCCn2cc[nH+]c2)nc1 ZINC000728958416 574677856 /nfs/dbraw/zinc/67/78/56/574677856.db2.gz JRJFXOLWWGGYOF-UHFFFAOYSA-N 1 2 254.293 1.080 20 30 CDEDLO CC(Cn1nc(C)cc1C)=NOCc1c[nH+]cn1C ZINC000753117079 574731406 /nfs/dbraw/zinc/73/14/06/574731406.db2.gz HFLFIPPJOIYXRC-UHFFFAOYSA-N 1 2 261.329 1.826 20 30 CDEDLO C#Cc1ccc(C(=O)NCc2cn3c(cccc3C)[nH+]2)cn1 ZINC000731652284 575057789 /nfs/dbraw/zinc/05/77/89/575057789.db2.gz HRHXIGBJWIQNDJ-UHFFFAOYSA-N 1 2 290.326 1.949 20 30 CDEDLO C#CCN(CC)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000732060915 575078160 /nfs/dbraw/zinc/07/81/60/575078160.db2.gz BWMUEKLAFIUMHH-UHFFFAOYSA-N 1 2 286.375 1.614 20 30 CDEDLO C#C[C@@H](CC)OC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000774484942 575208278 /nfs/dbraw/zinc/20/82/78/575208278.db2.gz WLATXQPRZSOLHV-LBPRGKRZSA-N 1 2 255.277 1.836 20 30 CDEDLO C#CCCCNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000743690865 576650644 /nfs/dbraw/zinc/65/06/44/576650644.db2.gz NKCCUMUXFUAWCP-UHFFFAOYSA-N 1 2 291.420 1.989 20 30 CDEDLO C=CC[C@@H](NC(=O)NCCn1cc[nH+]c1)c1ccncc1 ZINC000734652539 575368852 /nfs/dbraw/zinc/36/88/52/575368852.db2.gz MAIXNPFAIGOXBT-CQSZACIVSA-N 1 2 285.351 1.895 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1nncn1-c1ccccc1)[C@@H]1CCCO1 ZINC000769787806 575383804 /nfs/dbraw/zinc/38/38/04/575383804.db2.gz BDPOXTWYLPKMEY-CABCVRRESA-N 1 2 282.347 1.538 20 30 CDEDLO C#C[C@H](Nc1nc(N(C)C)nc(C(C)C)[nH+]1)[C@@H]1CCCO1 ZINC000772260809 575678087 /nfs/dbraw/zinc/67/80/87/575678087.db2.gz ZEVSDPNCFKIGMT-RYUDHWBXSA-N 1 2 289.383 1.654 20 30 CDEDLO C#C[C@H](Nc1nc(C(C)C)[nH+]c(N(C)C)n1)[C@@H]1CCCO1 ZINC000772260809 575678089 /nfs/dbraw/zinc/67/80/89/575678089.db2.gz ZEVSDPNCFKIGMT-RYUDHWBXSA-N 1 2 289.383 1.654 20 30 CDEDLO CON=CC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000773956520 575845753 /nfs/dbraw/zinc/84/57/53/575845753.db2.gz IQUTZUJCGANFFT-JNFULLQQSA-N 1 2 287.363 1.476 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000761107898 576549346 /nfs/dbraw/zinc/54/93/46/576549346.db2.gz JHAXKBXNUWJBSZ-CYBMUJFWSA-N 1 2 295.383 1.885 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000761107898 576549349 /nfs/dbraw/zinc/54/93/49/576549349.db2.gz JHAXKBXNUWJBSZ-CYBMUJFWSA-N 1 2 295.383 1.885 20 30 CDEDLO N#CCOC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741351568 576553911 /nfs/dbraw/zinc/55/39/11/576553911.db2.gz FPEKBNDYSJQVMC-AWEZNQCLSA-N 1 2 274.320 1.344 20 30 CDEDLO N#CCOC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741351568 576553912 /nfs/dbraw/zinc/55/39/12/576553912.db2.gz FPEKBNDYSJQVMC-AWEZNQCLSA-N 1 2 274.320 1.344 20 30 CDEDLO Cc1csc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)n1 ZINC000761838935 576596764 /nfs/dbraw/zinc/59/67/64/576596764.db2.gz PCCDJRPQZLTGOB-UHFFFAOYSA-N 1 2 285.336 1.873 20 30 CDEDLO COc1ccc(C[NH2+]Cc2nnc3n2CCC3)cc1C#N ZINC000742366856 576598139 /nfs/dbraw/zinc/59/81/39/576598139.db2.gz XOOYJBKYPBDRGX-UHFFFAOYSA-N 1 2 283.335 1.394 20 30 CDEDLO C=CC[N@@H+](CCCN1CCCC1=O)CC(=O)OCC ZINC000742607383 576608902 /nfs/dbraw/zinc/60/89/02/576608902.db2.gz NVGPYCUOLQBDOX-UHFFFAOYSA-N 1 2 268.357 1.050 20 30 CDEDLO C=CC[N@H+](CCCN1CCCC1=O)CC(=O)OCC ZINC000742607383 576608905 /nfs/dbraw/zinc/60/89/05/576608905.db2.gz NVGPYCUOLQBDOX-UHFFFAOYSA-N 1 2 268.357 1.050 20 30 CDEDLO COCC[N@H+](CCC#N)Cc1ccc(OCC#N)cc1 ZINC000744405765 576679488 /nfs/dbraw/zinc/67/94/88/576679488.db2.gz WDZUWAXAZUMJFY-UHFFFAOYSA-N 1 2 273.336 1.951 20 30 CDEDLO COCC[N@@H+](CCC#N)Cc1ccc(OCC#N)cc1 ZINC000744405765 576679490 /nfs/dbraw/zinc/67/94/90/576679490.db2.gz WDZUWAXAZUMJFY-UHFFFAOYSA-N 1 2 273.336 1.951 20 30 CDEDLO C=CCCOCC(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000746322191 576771215 /nfs/dbraw/zinc/77/12/15/576771215.db2.gz GEBCMVWXSWREQI-UHFFFAOYSA-N 1 2 290.354 1.767 20 30 CDEDLO C=CCCOCC(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746322191 576771216 /nfs/dbraw/zinc/77/12/16/576771216.db2.gz GEBCMVWXSWREQI-UHFFFAOYSA-N 1 2 290.354 1.767 20 30 CDEDLO C[N@H+](CC(F)F)C1CCN(C(=O)CSCC#N)CC1 ZINC000746321909 576771311 /nfs/dbraw/zinc/77/13/11/576771311.db2.gz QYYMBTYSPIGLML-UHFFFAOYSA-N 1 2 291.367 1.431 20 30 CDEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)CSCC#N)CC1 ZINC000746321909 576771312 /nfs/dbraw/zinc/77/13/12/576771312.db2.gz QYYMBTYSPIGLML-UHFFFAOYSA-N 1 2 291.367 1.431 20 30 CDEDLO CC(C[C@@H]1CCOC1)N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753940648 576867501 /nfs/dbraw/zinc/86/75/01/576867501.db2.gz UVCLKRUMTFXVFB-AVGNSLFASA-N 1 2 264.373 1.649 20 30 CDEDLO CO[C@H](C)c1noc(CO[NH+]=C(N)c2ccc(F)cc2)n1 ZINC000747828558 576885862 /nfs/dbraw/zinc/88/58/62/576885862.db2.gz UTEJMVULAWCUFM-MRVPVSSYSA-N 1 2 294.286 1.753 20 30 CDEDLO CC(C)[N@H+]1CC(=NNc2cnnc(O)c2Cl)[C@H](C)C1 ZINC000754256907 576888173 /nfs/dbraw/zinc/88/81/73/576888173.db2.gz GHMWUEUJMKZHBS-MRVPVSSYSA-N 1 2 283.763 1.964 20 30 CDEDLO CC(C)[N@@H+]1CC(=NNc2cnnc(O)c2Cl)[C@H](C)C1 ZINC000754256907 576888174 /nfs/dbraw/zinc/88/81/74/576888174.db2.gz GHMWUEUJMKZHBS-MRVPVSSYSA-N 1 2 283.763 1.964 20 30 CDEDLO Cc1cccn2c(CN=Nc3ncccn3)c[nH+]c12 ZINC000755634152 576952949 /nfs/dbraw/zinc/95/29/49/576952949.db2.gz LQIMCBZGLMQVOL-UHFFFAOYSA-N 1 2 252.281 1.879 20 30 CDEDLO Cc1cccn2c(C=NNC(=S)N(C)C)c[nH+]c12 ZINC000755710096 576956671 /nfs/dbraw/zinc/95/66/71/576956671.db2.gz UZIWJXMGSBDYAE-UHFFFAOYSA-N 1 2 261.354 1.413 20 30 CDEDLO C[C@@H]1C[N@@H+](C2CC2)CC1=NNS(=O)(=O)c1ccccc1 ZINC000755871812 576965304 /nfs/dbraw/zinc/96/53/04/576965304.db2.gz LCCPVSFCQSZNFS-LLVKDONJSA-N 1 2 293.392 1.435 20 30 CDEDLO C[C@@H]1C[N@H+](C2CC2)CC1=NNS(=O)(=O)c1ccccc1 ZINC000755871812 576965305 /nfs/dbraw/zinc/96/53/05/576965305.db2.gz LCCPVSFCQSZNFS-LLVKDONJSA-N 1 2 293.392 1.435 20 30 CDEDLO CN(C)c1cc(COC(=O)CSCC#N)cc[nH+]1 ZINC000755888445 576966129 /nfs/dbraw/zinc/96/61/29/576966129.db2.gz SBRZSKKDUMIATQ-UHFFFAOYSA-N 1 2 265.338 1.448 20 30 CDEDLO COc1cccc(/C=N/CC[N@@H+]2CCO[C@H](C)C2)c1O ZINC000750949904 577018604 /nfs/dbraw/zinc/01/86/04/577018604.db2.gz KASDPGGKQNGCIP-HMHNVIDESA-N 1 2 278.352 1.540 20 30 CDEDLO COc1cccc(/C=N/CC[N@H+]2CCO[C@H](C)C2)c1O ZINC000750949904 577018606 /nfs/dbraw/zinc/01/86/06/577018606.db2.gz KASDPGGKQNGCIP-HMHNVIDESA-N 1 2 278.352 1.540 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)[C@H]2CSCCS2)CC1 ZINC000750994840 577021405 /nfs/dbraw/zinc/02/14/05/577021405.db2.gz BDBQPQIGPCTLGJ-GFCCVEGCSA-N 1 2 284.450 1.003 20 30 CDEDLO CN(C)c1nc(Cl)c(C=[NH+]NC2CCOCC2)s1 ZINC000757590902 577044425 /nfs/dbraw/zinc/04/44/25/577044425.db2.gz BMDNSXRRIAJXOY-UHFFFAOYSA-N 1 2 288.804 1.965 20 30 CDEDLO C=CCC(CC=C)C(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000758510515 577112666 /nfs/dbraw/zinc/11/26/66/577112666.db2.gz VXKADOCCEDCKFP-FQEVSTJZSA-N 1 2 298.452 1.278 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nnc(C)s1 ZINC000759196846 577159503 /nfs/dbraw/zinc/15/95/03/577159503.db2.gz ZNIJWQDZRKHHIM-ONGXEEELSA-N 1 2 278.381 1.121 20 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/nfs/dbraw/zinc/56/23/24/613562324.db2.gz BIBNXCGTLBFTNP-UHFFFAOYSA-N 1 2 297.402 1.217 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2CC[C@@H](C)C2)CC1 ZINC000949737896 613562390 /nfs/dbraw/zinc/56/23/90/613562390.db2.gz LAZBYHLQSJEDSB-HUUCEWRRSA-N 1 2 262.397 1.980 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H](C)[C@@H]2CCCO2)CC1 ZINC000957461823 613562587 /nfs/dbraw/zinc/56/25/87/613562587.db2.gz GVQNHYUQGMZYLC-CABCVRRESA-N 1 2 278.396 1.359 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(CF)CC3)C2)C1 ZINC000972542696 613569952 /nfs/dbraw/zinc/56/99/52/613569952.db2.gz BNORYBFVLYAPNC-INIZCTEOSA-N 1 2 294.370 1.063 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(CF)CC3)C2)C1 ZINC000972542696 613569954 /nfs/dbraw/zinc/56/99/54/613569954.db2.gz BNORYBFVLYAPNC-INIZCTEOSA-N 1 2 294.370 1.063 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCC2CCOCC2)CC1 ZINC000951183505 613707799 /nfs/dbraw/zinc/70/77/99/613707799.db2.gz VTZYNOUGOKSNSO-UHFFFAOYSA-N 1 2 266.385 1.523 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc3c(c2)COC3)CC1 ZINC000957450396 613709404 /nfs/dbraw/zinc/70/94/04/613709404.db2.gz AEQJCSBMPKPJKC-UHFFFAOYSA-N 1 2 286.375 1.590 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H](OC)C2)CC1 ZINC000949935738 613711404 /nfs/dbraw/zinc/71/14/04/613711404.db2.gz WQMMGPYDDUWKBT-KGLIPLIRSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCC[C@H]2OC)CC1 ZINC000948968685 613712570 /nfs/dbraw/zinc/71/25/70/613712570.db2.gz RTYFBFBZMPEBIR-QWHCGFSZSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2c3c[nH]nc3CC[C@@H]2C)CC1 ZINC000949364027 613713816 /nfs/dbraw/zinc/71/38/16/613713816.db2.gz ZKAOHWWJASLXBQ-SWLSCSKDSA-N 1 2 288.395 1.406 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(F)c(COC)c2)CC1 ZINC000950416996 613716396 /nfs/dbraw/zinc/71/63/96/613716396.db2.gz NLSZARQRRFQUPF-UHFFFAOYSA-N 1 2 292.354 1.916 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc(COC)c2)CC1 ZINC000949149286 613716853 /nfs/dbraw/zinc/71/68/53/613716853.db2.gz FDCZTGRUYQTKHN-UHFFFAOYSA-N 1 2 274.364 1.777 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(C4CC4)CC3)C2)C1 ZINC000972426019 613722868 /nfs/dbraw/zinc/72/28/68/613722868.db2.gz RIGQAZFJZBIOHX-INIZCTEOSA-N 1 2 290.407 1.666 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(C4CC4)CC3)C2)C1 ZINC000972426019 613722872 /nfs/dbraw/zinc/72/28/72/613722872.db2.gz RIGQAZFJZBIOHX-INIZCTEOSA-N 1 2 290.407 1.666 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC3(C)C)C2)C1 ZINC000972339176 613726234 /nfs/dbraw/zinc/72/62/34/613726234.db2.gz NCJXFGUCDMMTER-CZUORRHYSA-N 1 2 278.396 1.522 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC3(C)C)C2)C1 ZINC000972339176 613726238 /nfs/dbraw/zinc/72/62/38/613726238.db2.gz NCJXFGUCDMMTER-CZUORRHYSA-N 1 2 278.396 1.522 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccoc3)C2)C1 ZINC000972258626 613727332 /nfs/dbraw/zinc/72/73/32/613727332.db2.gz GFSBBGGNWJZSHL-OAHLLOKOSA-N 1 2 276.336 1.383 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccoc3)C2)C1 ZINC000972258626 613727334 /nfs/dbraw/zinc/72/73/34/613727334.db2.gz GFSBBGGNWJZSHL-OAHLLOKOSA-N 1 2 276.336 1.383 20 30 CDEDLO C#CCCc1noc(C(C)(C)C[NH+]2CCOCC2)n1 ZINC000923882500 617583863 /nfs/dbraw/zinc/58/38/63/617583863.db2.gz GZECFSMLIDHISO-UHFFFAOYSA-N 1 2 263.341 1.245 20 30 CDEDLO C#CCC[NH+]1CCN(c2nccnc2Cl)CC1 ZINC000892315447 617764553 /nfs/dbraw/zinc/76/45/53/617764553.db2.gz RCEGAYZARVWEPE-UHFFFAOYSA-N 1 2 250.733 1.275 20 30 CDEDLO C[C@H](CC(C)(C)C#N)[NH2+]Cc1nc(N(C)C)no1 ZINC000893674895 617828087 /nfs/dbraw/zinc/82/80/87/617828087.db2.gz NSWSKMBXUBLEHZ-SECBINFHSA-N 1 2 251.334 1.554 20 30 CDEDLO CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)C=NOC ZINC000811584233 618442784 /nfs/dbraw/zinc/44/27/84/618442784.db2.gz BNTKEYASEVKXSI-LLVKDONJSA-N 1 2 264.329 1.589 20 30 CDEDLO CC#CC(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910782060 618480736 /nfs/dbraw/zinc/48/07/36/618480736.db2.gz YGOCPYCZRWGZGY-UHFFFAOYSA-N 1 2 254.333 1.497 20 30 CDEDLO CC#CC(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910782060 618480750 /nfs/dbraw/zinc/48/07/50/618480750.db2.gz YGOCPYCZRWGZGY-UHFFFAOYSA-N 1 2 254.333 1.497 20 30 CDEDLO Cc1cc(N2CC[C@](O)(CC#N)C2)nc(C2CCC2)[nH+]1 ZINC000894349009 618808518 /nfs/dbraw/zinc/80/85/18/618808518.db2.gz DPXBZNZATGRVAK-OAHLLOKOSA-N 1 2 272.352 1.907 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2nc3c(s2)CCCC3)CCCN1O ZINC000895163535 619387328 /nfs/dbraw/zinc/38/73/28/619387328.db2.gz VQGPXXMFHGTIEN-JTQLQIEISA-N 1 2 281.381 1.492 20 30 CDEDLO C=C[C@@H](CC)CC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000909526472 619772102 /nfs/dbraw/zinc/77/21/02/619772102.db2.gz YDGVWMJZEDRYBW-OLZOCXBDSA-N 1 2 255.358 1.853 20 30 CDEDLO C=C[C@@H](CC)CC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000909526472 619772104 /nfs/dbraw/zinc/77/21/04/619772104.db2.gz YDGVWMJZEDRYBW-OLZOCXBDSA-N 1 2 255.358 1.853 20 30 CDEDLO C#C[C@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(C)C ZINC000897652774 621050723 /nfs/dbraw/zinc/05/07/23/621050723.db2.gz IBHVGBMPRMESMM-FZMZJTMJSA-N 1 2 274.368 1.564 20 30 CDEDLO C#C[C@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(C)C ZINC000897652774 621050728 /nfs/dbraw/zinc/05/07/28/621050728.db2.gz IBHVGBMPRMESMM-FZMZJTMJSA-N 1 2 274.368 1.564 20 30 CDEDLO C=CCCONC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000898939853 621977988 /nfs/dbraw/zinc/97/79/88/621977988.db2.gz XTTSWRFSGZDWBT-GFCCVEGCSA-N 1 2 264.329 1.414 20 30 CDEDLO C=CCCONC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000898939853 621977997 /nfs/dbraw/zinc/97/79/97/621977997.db2.gz XTTSWRFSGZDWBT-GFCCVEGCSA-N 1 2 264.329 1.414 20 30 CDEDLO C[C@](C#N)(NC(=O)Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC000900724147 623409959 /nfs/dbraw/zinc/40/99/59/623409959.db2.gz LKSANVSLDIMWPP-CQSZACIVSA-N 1 2 260.341 1.931 20 30 CDEDLO N#CCN(C(=O)CNc1cccc[nH+]1)C1CCCC1 ZINC000900776396 623466618 /nfs/dbraw/zinc/46/66/18/623466618.db2.gz GQLCXFWVYRNFOR-UHFFFAOYSA-N 1 2 258.325 1.788 20 30 CDEDLO C[C@@H](CNC(=O)c1cccc(C#CCO)c1)Cn1cc[nH+]c1 ZINC000900785779 623480418 /nfs/dbraw/zinc/48/04/18/623480418.db2.gz FTFXXRCWATWDQP-AWEZNQCLSA-N 1 2 297.358 1.293 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccsc2C#N)C1 ZINC000907131011 627537429 /nfs/dbraw/zinc/53/74/29/627537429.db2.gz IDGUEXBOEZPFPR-SNVBAGLBSA-N 1 2 286.360 1.983 20 30 CDEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@]2(C#N)CC2(C)C)[nH]n1 ZINC000908298317 628129666 /nfs/dbraw/zinc/12/96/66/628129666.db2.gz FMFZYUOVLGLPPU-IUODEOHRSA-N 1 2 287.367 1.598 20 30 CDEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@]2(C#N)CC2(C)C)[nH]n1 ZINC000908298317 628129670 /nfs/dbraw/zinc/12/96/70/628129670.db2.gz FMFZYUOVLGLPPU-IUODEOHRSA-N 1 2 287.367 1.598 20 30 CDEDLO N#Cc1sccc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000911572026 629332915 /nfs/dbraw/zinc/33/29/15/629332915.db2.gz QUMIRNCMKKRAGL-VIFPVBQESA-N 1 2 272.333 1.561 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000788037874 631694205 /nfs/dbraw/zinc/69/42/05/631694205.db2.gz DIWVALZTBBEOQY-QWHCGFSZSA-N 1 2 272.352 1.323 20 30 CDEDLO C=c1[nH]c(=O)[nH]c(=O)c1=C(C)[NH2+]Nc1ccc(C#N)cc1 ZINC000915962987 631879308 /nfs/dbraw/zinc/87/93/08/631879308.db2.gz YPAILVOYECHHNC-UHFFFAOYSA-N 1 2 283.291 1.904 20 30 CDEDLO C=C[C@H](O)C[NH2+][C@H](C(=O)OC(C)(C)C)C(C)(C)C ZINC001253608818 951993880 /nfs/dbraw/zinc/99/38/80/951993880.db2.gz HIZSQYALQXLRKZ-WDEREUQCSA-N 1 2 257.374 1.879 20 30 CDEDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1nc(C)cc(C)c1C#N ZINC001170343652 1162348702 /nfs/dbraw/zinc/34/87/02/1162348702.db2.gz XDCJJCYUFDRNND-UHFFFAOYSA-N 1 2 271.324 1.271 20 30 CDEDLO Cc1nc(N[C@@H](C)[C@@H](C)NC(=O)C#CC2CC2)cc[nH+]1 ZINC001113036275 1162081345 /nfs/dbraw/zinc/08/13/45/1162081345.db2.gz MZLNUSUIMQLUEB-WDEREUQCSA-N 1 2 272.352 1.504 20 30 CDEDLO N#CCOc1ccc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)cc1 ZINC001137115539 1165968691 /nfs/dbraw/zinc/96/86/91/1165968691.db2.gz UERKJUVJRLXFKB-QWHCGFSZSA-N 1 2 250.273 1.104 20 30 CDEDLO N#CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)cc1 ZINC001137115539 1165968699 /nfs/dbraw/zinc/96/86/99/1165968699.db2.gz UERKJUVJRLXFKB-QWHCGFSZSA-N 1 2 250.273 1.104 20 30 CDEDLO C#CC[N@H+](Cc1cc(-c2nn[nH]n2)cnc1Cl)C(C)C ZINC001588350693 1173051172 /nfs/dbraw/zinc/05/11/72/1173051172.db2.gz LQANTGKTMLFLHP-UHFFFAOYSA-N 1 2 290.758 1.759 20 30 CDEDLO C#CC[N@@H+](Cc1cc(-c2nn[nH]n2)cnc1Cl)C(C)C ZINC001588350693 1173051179 /nfs/dbraw/zinc/05/11/79/1173051179.db2.gz LQANTGKTMLFLHP-UHFFFAOYSA-N 1 2 290.758 1.759 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1N(C)C ZINC001588930920 1173115758 /nfs/dbraw/zinc/11/57/58/1173115758.db2.gz NGTNOZWGDWLECB-NSHDSACASA-N 1 2 299.382 1.524 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1N(C)C ZINC001588930920 1173115760 /nfs/dbraw/zinc/11/57/60/1173115760.db2.gz NGTNOZWGDWLECB-NSHDSACASA-N 1 2 299.382 1.524 20 30 CDEDLO C[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)CC(C)(C)C#N ZINC001591150332 1173583205 /nfs/dbraw/zinc/58/32/05/1173583205.db2.gz WJJDBFVCLPATNK-UHFFFAOYSA-N 1 2 271.328 1.243 20 30 CDEDLO C[N@@H+](Cc1ccnc(-c2nn[nH]n2)c1)CC(C)(C)C#N ZINC001591150332 1173583211 /nfs/dbraw/zinc/58/32/11/1173583211.db2.gz WJJDBFVCLPATNK-UHFFFAOYSA-N 1 2 271.328 1.243 20 30 CDEDLO CC(C)C[C@H](C(=O)N1CC[C@H](NCC#N)C1)n1cc[nH+]c1 ZINC001714326468 1179084635 /nfs/dbraw/zinc/08/46/35/1179084635.db2.gz QRSJLPJCXGTYBU-UONOGXRCSA-N 1 2 289.383 1.184 20 30 CDEDLO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)C#CC(C)C)C2)cn1 ZINC001732152372 1182812401 /nfs/dbraw/zinc/81/24/01/1182812401.db2.gz OAUNLKPOJPCTTJ-HNNXBMFYSA-N 1 2 286.379 1.135 20 30 CDEDLO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)C#CC(C)C)C2)cn1 ZINC001732152372 1182812410 /nfs/dbraw/zinc/81/24/10/1182812410.db2.gz OAUNLKPOJPCTTJ-HNNXBMFYSA-N 1 2 286.379 1.135 20 30 CDEDLO C=CCOCC(=O)NC[C@H]1CCC[N@H+]1Cc1coc(C)n1 ZINC001753098673 1185059760 /nfs/dbraw/zinc/05/97/60/1185059760.db2.gz XSOBMLZNWSTIPL-CQSZACIVSA-N 1 2 293.367 1.266 20 30 CDEDLO C=CCOCC(=O)NC[C@H]1CCC[N@@H+]1Cc1coc(C)n1 ZINC001753098673 1185059767 /nfs/dbraw/zinc/05/97/67/1185059767.db2.gz XSOBMLZNWSTIPL-CQSZACIVSA-N 1 2 293.367 1.266 20 30 CDEDLO CCC[N@H+](CCNC(=O)C#CC(C)C)Cc1nonc1C ZINC001753144017 1185083273 /nfs/dbraw/zinc/08/32/73/1185083273.db2.gz HQYMSCYAVHUOMQ-UHFFFAOYSA-N 1 2 292.383 1.366 20 30 CDEDLO CCC[N@@H+](CCNC(=O)C#CC(C)C)Cc1nonc1C ZINC001753144017 1185083280 /nfs/dbraw/zinc/08/32/80/1185083280.db2.gz HQYMSCYAVHUOMQ-UHFFFAOYSA-N 1 2 292.383 1.366 20 30 CDEDLO C=CC1(CC(=O)NC2C[NH+](CCO)C2)CCCCC1 ZINC001753388532 1185181054 /nfs/dbraw/zinc/18/10/54/1185181054.db2.gz UKCZOQDOLDDAHL-UHFFFAOYSA-N 1 2 266.385 1.306 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)CCC2CCCC2)C1 ZINC001753646758 1185285837 /nfs/dbraw/zinc/28/58/37/1185285837.db2.gz XPBNKOLSGIOTGQ-HNNXBMFYSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)CCC2CCCC2)C1 ZINC001753646758 1185285845 /nfs/dbraw/zinc/28/58/45/1185285845.db2.gz XPBNKOLSGIOTGQ-HNNXBMFYSA-N 1 2 280.412 1.960 20 30 CDEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2cc3ccccc3o2)C1 ZINC001754776566 1185729074 /nfs/dbraw/zinc/72/90/74/1185729074.db2.gz GHXBMMLPYLNNOS-UHFFFAOYSA-N 1 2 298.342 1.233 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N1CCOC2(C[NH+](CCC)C2)C1 ZINC001755048666 1185799118 /nfs/dbraw/zinc/79/91/18/1185799118.db2.gz FANXGFHRSVOXAV-CQSZACIVSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)/C=C(/C)CC)CO2 ZINC001755061607 1185803376 /nfs/dbraw/zinc/80/33/76/1185803376.db2.gz MWIRSQAKBBKVAC-XMRSSTEGSA-N 1 2 278.396 1.878 20 30 CDEDLO C#CCC[NH+]1CC(CCO)(NC(=O)C[C@H]2C=CCCC2)C1 ZINC001755332605 1185921147 /nfs/dbraw/zinc/92/11/47/1185921147.db2.gz FYXZYRZNUITTIP-HNNXBMFYSA-N 1 2 290.407 1.309 20 30 CDEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)C(C)(C)C(C)C)C1 ZINC001755334033 1185922073 /nfs/dbraw/zinc/92/20/73/1185922073.db2.gz SBXHKOOPCVFDER-UHFFFAOYSA-N 1 2 282.428 1.798 20 30 CDEDLO C=CC[NH+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001165033432 721863462 /nfs/dbraw/zinc/86/34/62/721863462.db2.gz OQYINKDSEKKKAK-UHFFFAOYSA-N 1 2 282.731 1.951 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC(F)(F)C1 ZINC000846359926 837432011 /nfs/dbraw/zinc/43/20/11/837432011.db2.gz OBEFNCRLAKODBG-NSHDSACASA-N 1 2 256.296 1.342 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC(F)(F)C1 ZINC000846359926 837432044 /nfs/dbraw/zinc/43/20/44/837432044.db2.gz OBEFNCRLAKODBG-NSHDSACASA-N 1 2 256.296 1.342 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)[C@H](F)Cc2ccccc2)CC1 ZINC000778255770 837471112 /nfs/dbraw/zinc/47/11/12/837471112.db2.gz FWCYBRKPSHMBPJ-MRXNPFEDSA-N 1 2 288.366 1.735 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCOCC1 ZINC001018071086 837514638 /nfs/dbraw/zinc/51/46/38/837514638.db2.gz OZQLOMRFIVHOHA-GASCZTMLSA-N 1 2 290.407 1.502 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCOCC1 ZINC001018071086 837514666 /nfs/dbraw/zinc/51/46/66/837514666.db2.gz OZQLOMRFIVHOHA-GASCZTMLSA-N 1 2 290.407 1.502 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875556225 837560859 /nfs/dbraw/zinc/56/08/59/837560859.db2.gz FOTWHWLQOCEQLK-ZIAGYGMSSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875556225 837560882 /nfs/dbraw/zinc/56/08/82/837560882.db2.gz FOTWHWLQOCEQLK-ZIAGYGMSSA-N 1 2 283.416 1.751 20 30 CDEDLO Cc1nnsc1C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000971209936 837573444 /nfs/dbraw/zinc/57/34/44/837573444.db2.gz VNXBBYDAWJYFIT-ONGXEEELSA-N 1 2 293.396 1.039 20 30 CDEDLO Cc1nnsc1C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000971209936 837573463 /nfs/dbraw/zinc/57/34/63/837573463.db2.gz VNXBBYDAWJYFIT-ONGXEEELSA-N 1 2 293.396 1.039 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+](CCC#N)C[C@H]1c1ccc(O)cc1 ZINC000296747292 837836202 /nfs/dbraw/zinc/83/62/02/837836202.db2.gz PIVKADLPHMLGIM-UONOGXRCSA-N 1 2 274.320 1.494 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+](CCC#N)C[C@H]1c1ccc(O)cc1 ZINC000296747292 837836210 /nfs/dbraw/zinc/83/62/10/837836210.db2.gz PIVKADLPHMLGIM-UONOGXRCSA-N 1 2 274.320 1.494 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)cc(C)c2)C1 ZINC001035586015 837690408 /nfs/dbraw/zinc/69/04/08/837690408.db2.gz DJLWGWQVUBULPV-MRXNPFEDSA-N 1 2 288.391 1.920 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(C)cc(C)c2)C1 ZINC001035586015 837690416 /nfs/dbraw/zinc/69/04/16/837690416.db2.gz DJLWGWQVUBULPV-MRXNPFEDSA-N 1 2 288.391 1.920 20 30 CDEDLO C#CC[N@H+]1CCCC[C@@H](NC(=O)c2snnc2CC)C1 ZINC001034297118 837701649 /nfs/dbraw/zinc/70/16/49/837701649.db2.gz NXSTWMZUXKDQPK-LLVKDONJSA-N 1 2 292.408 1.318 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2snnc2CC)C1 ZINC001034297118 837701661 /nfs/dbraw/zinc/70/16/61/837701661.db2.gz NXSTWMZUXKDQPK-LLVKDONJSA-N 1 2 292.408 1.318 20 30 CDEDLO C#CC[C@@H](CCOC)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000858857277 837748492 /nfs/dbraw/zinc/74/84/92/837748492.db2.gz MDRPVASFFMKTDA-ZDUSSCGKSA-N 1 2 274.368 1.917 20 30 CDEDLO C#CC[C@@H](CCOC)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000858857277 837748518 /nfs/dbraw/zinc/74/85/18/837748518.db2.gz MDRPVASFFMKTDA-ZDUSSCGKSA-N 1 2 274.368 1.917 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cn[nH]c1 ZINC001027770616 837801618 /nfs/dbraw/zinc/80/16/18/837801618.db2.gz XRWJWNJGQQPABR-NSHDSACASA-N 1 2 268.748 1.356 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cn[nH]c1 ZINC001027770616 837801623 /nfs/dbraw/zinc/80/16/23/837801623.db2.gz XRWJWNJGQQPABR-NSHDSACASA-N 1 2 268.748 1.356 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COc2ccccc21 ZINC001032816000 837805591 /nfs/dbraw/zinc/80/55/91/837805591.db2.gz WQWNUEAJYLRUDQ-DZKIICNBSA-N 1 2 296.370 1.471 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COc2ccccc21 ZINC001032816000 837805596 /nfs/dbraw/zinc/80/55/96/837805596.db2.gz WQWNUEAJYLRUDQ-DZKIICNBSA-N 1 2 296.370 1.471 20 30 CDEDLO C=CC(C)(C)C(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001228622309 1167384093 /nfs/dbraw/zinc/38/40/93/1167384093.db2.gz QYMACYUEFGYIPC-UHFFFAOYSA-N 1 2 290.411 1.713 20 30 CDEDLO Cn1[nH]c(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)nc1=O ZINC000933611109 835776207 /nfs/dbraw/zinc/77/62/07/835776207.db2.gz PRIOYHXZTHIKAL-UHFFFAOYSA-N 1 2 297.362 1.360 20 30 CDEDLO C=CC[NH2+][C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC000999212377 835791918 /nfs/dbraw/zinc/79/19/18/835791918.db2.gz YSNILFHLBXCEQK-IUCAKERBSA-N 1 2 268.254 1.653 20 30 CDEDLO C=CC[NH2+][C@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000999212377 835791935 /nfs/dbraw/zinc/79/19/35/835791935.db2.gz YSNILFHLBXCEQK-IUCAKERBSA-N 1 2 268.254 1.653 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)nn1 ZINC001017545252 835801357 /nfs/dbraw/zinc/80/13/57/835801357.db2.gz FWXRRRQGRPMMRT-BETUJISGSA-N 1 2 272.352 1.260 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)nn1 ZINC001017545252 835801362 /nfs/dbraw/zinc/80/13/62/835801362.db2.gz FWXRRRQGRPMMRT-BETUJISGSA-N 1 2 272.352 1.260 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2CCC)cc1 ZINC001051059236 835825955 /nfs/dbraw/zinc/82/59/55/835825955.db2.gz AJFLCAWYGDRSNK-INIZCTEOSA-N 1 2 286.375 1.509 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2CCC)cc1 ZINC001051059236 835825956 /nfs/dbraw/zinc/82/59/56/835825956.db2.gz AJFLCAWYGDRSNK-INIZCTEOSA-N 1 2 286.375 1.509 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]nc1CC ZINC001027989794 835829443 /nfs/dbraw/zinc/82/94/43/835829443.db2.gz PLWCRHLKMLXDHB-LLVKDONJSA-N 1 2 296.802 1.919 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]nc1CC ZINC001027989794 835829451 /nfs/dbraw/zinc/82/94/51/835829451.db2.gz PLWCRHLKMLXDHB-LLVKDONJSA-N 1 2 296.802 1.919 20 30 CDEDLO C#C[C@H]([NH2+]Cc1ccc(F)cc1C#N)[C@H]1CCCO1 ZINC000775792325 835831732 /nfs/dbraw/zinc/83/17/32/835831732.db2.gz FPWCIIDGVXNGCA-LSDHHAIUSA-N 1 2 258.296 1.968 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)cn1CC ZINC001039036273 835845075 /nfs/dbraw/zinc/84/50/75/835845075.db2.gz GRRVKGQFSANQBU-CYBMUJFWSA-N 1 2 293.798 1.989 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)cn1CC ZINC001039036273 835845076 /nfs/dbraw/zinc/84/50/76/835845076.db2.gz GRRVKGQFSANQBU-CYBMUJFWSA-N 1 2 293.798 1.989 20 30 CDEDLO CCCCC1N=NC(=S)N1N=Cc1c[nH+]c(C)n1C ZINC000853266098 835849428 /nfs/dbraw/zinc/84/94/28/835849428.db2.gz SRYZXSRMGMYIFQ-UHFFFAOYSA-N 1 2 278.385 1.834 20 30 CDEDLO CCOc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000819390495 835878251 /nfs/dbraw/zinc/87/82/51/835878251.db2.gz ZXGUHXHHDJFSPE-CQSZACIVSA-N 1 2 277.368 1.704 20 30 CDEDLO CCOc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000819390495 835878252 /nfs/dbraw/zinc/87/82/52/835878252.db2.gz ZXGUHXHHDJFSPE-CQSZACIVSA-N 1 2 277.368 1.704 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001032413787 835882453 /nfs/dbraw/zinc/88/24/53/835882453.db2.gz QOAORWIQNAAFHB-OLMNGRFOSA-N 1 2 270.376 1.507 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001032413787 835882454 /nfs/dbraw/zinc/88/24/54/835882454.db2.gz QOAORWIQNAAFHB-OLMNGRFOSA-N 1 2 270.376 1.507 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc3ccccc3nc2C)C1 ZINC001030390860 835886583 /nfs/dbraw/zinc/88/65/83/835886583.db2.gz OMNSYJLMOCGEKM-UHFFFAOYSA-N 1 2 293.370 1.981 20 30 CDEDLO N#Cc1ccc(OCC(=O)OCCCn2cc[nH+]c2)cc1 ZINC000781950718 835888145 /nfs/dbraw/zinc/88/81/45/835888145.db2.gz FWZCERKBJMRQQM-UHFFFAOYSA-N 1 2 285.303 1.767 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001034195851 835928882 /nfs/dbraw/zinc/92/88/82/835928882.db2.gz UTKISXBBGRMUFD-NSHDSACASA-N 1 2 297.790 1.152 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001034195851 835928900 /nfs/dbraw/zinc/92/89/00/835928900.db2.gz UTKISXBBGRMUFD-NSHDSACASA-N 1 2 297.790 1.152 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC12CCC2 ZINC001018005462 835937875 /nfs/dbraw/zinc/93/78/75/835937875.db2.gz RPIWJBBQMRYIAL-ZNMIVQPWSA-N 1 2 272.392 1.875 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC12CCC2 ZINC001018005462 835937886 /nfs/dbraw/zinc/93/78/86/835937886.db2.gz RPIWJBBQMRYIAL-ZNMIVQPWSA-N 1 2 272.392 1.875 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1[nH]ccc1C1CC1 ZINC001038326861 835960558 /nfs/dbraw/zinc/96/05/58/835960558.db2.gz MRBHDXLEFBCRMN-ZDUSSCGKSA-N 1 2 271.364 1.720 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1[nH]ccc1C1CC1 ZINC001038326861 835960571 /nfs/dbraw/zinc/96/05/71/835960571.db2.gz MRBHDXLEFBCRMN-ZDUSSCGKSA-N 1 2 271.364 1.720 20 30 CDEDLO CCN(CC)c1ccnc(N=NCc2ccc(N)[nH+]c2)n1 ZINC000807977201 836059099 /nfs/dbraw/zinc/05/90/99/836059099.db2.gz XBVQUJNDNZHFSC-UHFFFAOYSA-N 1 2 285.355 1.746 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Cc1ccco1 ZINC001032677406 836071605 /nfs/dbraw/zinc/07/16/05/836071605.db2.gz DDFYRUGUOSINDI-IHRRRGAJSA-N 1 2 272.348 1.377 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Cc1ccco1 ZINC001032677406 836071622 /nfs/dbraw/zinc/07/16/22/836071622.db2.gz DDFYRUGUOSINDI-IHRRRGAJSA-N 1 2 272.348 1.377 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC001038654446 836120320 /nfs/dbraw/zinc/12/03/20/836120320.db2.gz LDSDAYRRBSRPOJ-AWEZNQCLSA-N 1 2 274.339 1.962 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC001038654446 836120327 /nfs/dbraw/zinc/12/03/27/836120327.db2.gz LDSDAYRRBSRPOJ-AWEZNQCLSA-N 1 2 274.339 1.962 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2n[nH]cc21 ZINC001038577540 836133849 /nfs/dbraw/zinc/13/38/49/836133849.db2.gz ZLKMXINSYXFAJR-NSHDSACASA-N 1 2 268.320 1.000 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2n[nH]cc21 ZINC001038577540 836133853 /nfs/dbraw/zinc/13/38/53/836133853.db2.gz ZLKMXINSYXFAJR-NSHDSACASA-N 1 2 268.320 1.000 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC001033225178 836147248 /nfs/dbraw/zinc/14/72/48/836147248.db2.gz NVIGRJWDEPDFLK-CYBMUJFWSA-N 1 2 296.374 1.651 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC001033225178 836147252 /nfs/dbraw/zinc/14/72/52/836147252.db2.gz NVIGRJWDEPDFLK-CYBMUJFWSA-N 1 2 296.374 1.651 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2nccnc2c1 ZINC001038995718 836155557 /nfs/dbraw/zinc/15/55/57/836155557.db2.gz NWSKUBLCLGOFFE-ZDUSSCGKSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2nccnc2c1 ZINC001038995718 836155562 /nfs/dbraw/zinc/15/55/62/836155562.db2.gz NWSKUBLCLGOFFE-ZDUSSCGKSA-N 1 2 280.331 1.067 20 30 CDEDLO Cc1cn(C(C)(C)C(=O)N2CCO[C@@](C)(C#N)C2)c[nH+]1 ZINC000887692293 836186646 /nfs/dbraw/zinc/18/66/46/836186646.db2.gz JRQCXPCXTGGWRU-AWEZNQCLSA-N 1 2 276.340 1.068 20 30 CDEDLO Nc1ncc(C=[NH+]Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000781576391 836231267 /nfs/dbraw/zinc/23/12/67/836231267.db2.gz ZYMGMPGVDOGRFT-UHFFFAOYSA-N 1 2 258.241 1.413 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cocc1C)CO2 ZINC001053895026 836242393 /nfs/dbraw/zinc/24/23/93/836242393.db2.gz XJMUFMIVFNEABW-ZDUSSCGKSA-N 1 2 288.347 1.184 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001050880764 836258135 /nfs/dbraw/zinc/25/81/35/836258135.db2.gz XEDWVXTZGMYUMQ-OLZOCXBDSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001050880764 836258155 /nfs/dbraw/zinc/25/81/55/836258155.db2.gz XEDWVXTZGMYUMQ-OLZOCXBDSA-N 1 2 266.385 1.426 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2nccc2C)C1 ZINC001015777926 836259311 /nfs/dbraw/zinc/25/93/11/836259311.db2.gz UGTIXCQBTUCJCS-LBPRGKRZSA-N 1 2 282.775 1.135 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2nccc2C)C1 ZINC001015777926 836259328 /nfs/dbraw/zinc/25/93/28/836259328.db2.gz UGTIXCQBTUCJCS-LBPRGKRZSA-N 1 2 282.775 1.135 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC1(F)F ZINC001027875053 836318856 /nfs/dbraw/zinc/31/88/56/836318856.db2.gz SLKUZCVRTNVNMF-NXEZZACHSA-N 1 2 278.730 1.975 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC1(F)F ZINC001027875053 836318875 /nfs/dbraw/zinc/31/88/75/836318875.db2.gz SLKUZCVRTNVNMF-NXEZZACHSA-N 1 2 278.730 1.975 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CC2CC2)c1 ZINC001018149578 836367318 /nfs/dbraw/zinc/36/73/18/836367318.db2.gz JZMGLEILYPATTI-IYBDPMFKSA-N 1 2 298.390 1.215 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CC2CC2)c1 ZINC001018149578 836367329 /nfs/dbraw/zinc/36/73/29/836367329.db2.gz JZMGLEILYPATTI-IYBDPMFKSA-N 1 2 298.390 1.215 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(CC)c1C1CC1 ZINC001038902025 836381806 /nfs/dbraw/zinc/38/18/06/836381806.db2.gz YHLCGLVDDGLVSG-ZDUSSCGKSA-N 1 2 286.379 1.218 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(CC)c1C1CC1 ZINC001038902025 836381816 /nfs/dbraw/zinc/38/18/16/836381816.db2.gz YHLCGLVDDGLVSG-ZDUSSCGKSA-N 1 2 286.379 1.218 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCOc2ccccc21 ZINC001038822000 836398635 /nfs/dbraw/zinc/39/86/35/836398635.db2.gz HTSXSJRUWINMAM-HIFRSBDPSA-N 1 2 284.359 1.376 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCOc2ccccc21 ZINC001038822000 836398646 /nfs/dbraw/zinc/39/86/46/836398646.db2.gz HTSXSJRUWINMAM-HIFRSBDPSA-N 1 2 284.359 1.376 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(C)c1 ZINC001018081325 836568517 /nfs/dbraw/zinc/56/85/17/836568517.db2.gz JQQALSUEZZAIAD-GASCZTMLSA-N 1 2 269.348 1.312 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(C)c1 ZINC001018081325 836568535 /nfs/dbraw/zinc/56/85/35/836568535.db2.gz JQQALSUEZZAIAD-GASCZTMLSA-N 1 2 269.348 1.312 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](OC)C(C)C)CCO2 ZINC001053410292 836700573 /nfs/dbraw/zinc/70/05/73/836700573.db2.gz MFGLUTOFYWJDJF-AWEZNQCLSA-N 1 2 296.411 1.147 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](OC)C(C)C)CCO2 ZINC001053410293 836717722 /nfs/dbraw/zinc/71/77/22/836717722.db2.gz MFGLUTOFYWJDJF-CQSZACIVSA-N 1 2 296.411 1.147 20 30 CDEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cnnn1C ZINC000808436675 836727573 /nfs/dbraw/zinc/72/75/73/836727573.db2.gz OSNPFCOIZYOVGS-UHFFFAOYSA-N 1 2 290.754 1.770 20 30 CDEDLO CC(=NNCCC[NH+]1CCOCC1)C1SC=CC1=O ZINC000799490083 836792729 /nfs/dbraw/zinc/79/27/29/836792729.db2.gz OTKSCWOVTJDIEO-UHFFFAOYSA-N 1 2 283.397 1.490 20 30 CDEDLO C#C[C@H]([NH2+]Cc1ncnn1-c1ccccc1)[C@@H]1CCCO1 ZINC000799166196 836802210 /nfs/dbraw/zinc/80/22/10/836802210.db2.gz BNXLMDRRGKGUIM-GJZGRUSLSA-N 1 2 282.347 1.538 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(F)c(OC)c2)C1 ZINC001030994188 836810540 /nfs/dbraw/zinc/81/05/40/836810540.db2.gz FNQWWWCJRKDZDP-UHFFFAOYSA-N 1 2 276.311 1.272 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3nc[nH]n3)[C@@H]2C1 ZINC001050167977 836812815 /nfs/dbraw/zinc/81/28/15/836812815.db2.gz YVCMKOHYAQFWHM-WDEREUQCSA-N 1 2 295.774 1.094 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3nc[nH]n3)[C@@H]2C1 ZINC001050167977 836812821 /nfs/dbraw/zinc/81/28/21/836812821.db2.gz YVCMKOHYAQFWHM-WDEREUQCSA-N 1 2 295.774 1.094 20 30 CDEDLO C=CCCn1cc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)nn1 ZINC000820896816 836815237 /nfs/dbraw/zinc/81/52/37/836815237.db2.gz YQPLVKUNGRXBTR-NSHDSACASA-N 1 2 282.319 1.055 20 30 CDEDLO C=CCCn1cc(C(=O)O[C@H]2CC[N@H+](CCF)C2)nn1 ZINC000820896816 836815238 /nfs/dbraw/zinc/81/52/38/836815238.db2.gz YQPLVKUNGRXBTR-NSHDSACASA-N 1 2 282.319 1.055 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001031739728 836871391 /nfs/dbraw/zinc/87/13/91/836871391.db2.gz BCSUGPVAFTZIBL-OLZOCXBDSA-N 1 2 286.803 1.602 20 30 CDEDLO C#CCO[C@@H](C)C(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC000842883452 837021615 /nfs/dbraw/zinc/02/16/15/837021615.db2.gz IPKFGGDEVQLAKM-LBPRGKRZSA-N 1 2 274.320 1.099 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2cc[nH]c2n1 ZINC001038379082 837098028 /nfs/dbraw/zinc/09/80/28/837098028.db2.gz UHNZQJDTZOJRAD-GFCCVEGCSA-N 1 2 268.320 1.000 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2cc[nH]c2n1 ZINC001038379082 837098038 /nfs/dbraw/zinc/09/80/38/837098038.db2.gz UHNZQJDTZOJRAD-GFCCVEGCSA-N 1 2 268.320 1.000 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2snnc2C(C)C)C1 ZINC001033523326 837166131 /nfs/dbraw/zinc/16/61/31/837166131.db2.gz PJNIVPQLXKECGB-NSHDSACASA-N 1 2 292.408 1.441 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2snnc2C(C)C)C1 ZINC001033523326 837166156 /nfs/dbraw/zinc/16/61/56/837166156.db2.gz PJNIVPQLXKECGB-NSHDSACASA-N 1 2 292.408 1.441 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2cccnc2n1 ZINC001038273262 837200575 /nfs/dbraw/zinc/20/05/75/837200575.db2.gz CHHULPRUGFUVHX-CQSZACIVSA-N 1 2 294.358 1.457 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2cccnc2n1 ZINC001038273262 837200590 /nfs/dbraw/zinc/20/05/90/837200590.db2.gz CHHULPRUGFUVHX-CQSZACIVSA-N 1 2 294.358 1.457 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc2n[nH]cc2c1 ZINC001032517636 837208016 /nfs/dbraw/zinc/20/80/16/837208016.db2.gz ZHFIHNMFYUZMOQ-GJZGRUSLSA-N 1 2 294.358 1.024 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc2n[nH]cc2c1 ZINC001032517636 837208021 /nfs/dbraw/zinc/20/80/21/837208021.db2.gz ZHFIHNMFYUZMOQ-GJZGRUSLSA-N 1 2 294.358 1.024 20 30 CDEDLO CCOC(CO[NH+]=C(N)c1ccccc1)OCC ZINC000192183393 837219094 /nfs/dbraw/zinc/21/90/94/837219094.db2.gz CUWGSYQJDNDMBO-UHFFFAOYSA-N 1 2 252.314 1.723 20 30 CDEDLO NC(Cc1ccccc1)=[NH+]OCC(=O)N1CCCCCC1 ZINC000071939158 837227373 /nfs/dbraw/zinc/22/73/73/837227373.db2.gz CPRKFMNENZQVGB-UHFFFAOYSA-N 1 2 289.379 1.921 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccoc1C ZINC001050812652 837278658 /nfs/dbraw/zinc/27/86/58/837278658.db2.gz MVVYQUSYAQECLJ-CYBMUJFWSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccoc1C ZINC001050812652 837278670 /nfs/dbraw/zinc/27/86/70/837278670.db2.gz MVVYQUSYAQECLJ-CYBMUJFWSA-N 1 2 278.352 1.595 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3conc3C)[C@@H]2C1 ZINC001076196597 837318054 /nfs/dbraw/zinc/31/80/54/837318054.db2.gz LPBLWRBMDYVZQF-WCQYABFASA-N 1 2 295.770 1.882 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3conc3C)[C@@H]2C1 ZINC001076196597 837318062 /nfs/dbraw/zinc/31/80/62/837318062.db2.gz LPBLWRBMDYVZQF-WCQYABFASA-N 1 2 295.770 1.882 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3scnc32)C1 ZINC001030305693 837353194 /nfs/dbraw/zinc/35/31/94/837353194.db2.gz AJAMKVGARPTIPS-UHFFFAOYSA-N 1 2 285.372 1.734 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(N(C)C)cc2F)C1 ZINC001030437960 837851242 /nfs/dbraw/zinc/85/12/42/837851242.db2.gz PMPSFAMWBGJQDB-UHFFFAOYSA-N 1 2 289.354 1.329 20 30 CDEDLO C=CCn1cc(C(=O)N(C)C2C[NH+](CC=C(C)C)C2)nn1 ZINC001044022881 837854078 /nfs/dbraw/zinc/85/40/78/837854078.db2.gz UKUSAAONVRJHFO-UHFFFAOYSA-N 1 2 289.383 1.187 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(F)cc2)C1 ZINC000885508649 837888327 /nfs/dbraw/zinc/88/83/27/837888327.db2.gz JFJGUGBYJLVLNB-ZDUSSCGKSA-N 1 2 296.367 1.202 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(F)cc2)C1 ZINC000885508649 837888335 /nfs/dbraw/zinc/88/83/35/837888335.db2.gz JFJGUGBYJLVLNB-ZDUSSCGKSA-N 1 2 296.367 1.202 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2cccc(Cl)c2)C1 ZINC001030885907 837893518 /nfs/dbraw/zinc/89/35/18/837893518.db2.gz DCOIYYVWGMHIOC-UHFFFAOYSA-N 1 2 264.756 1.869 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccccc1SC ZINC000884047372 837962397 /nfs/dbraw/zinc/96/23/97/837962397.db2.gz QBLOORZRGCVUNZ-JTQLQIEISA-N 1 2 294.376 1.794 20 30 CDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ncccn2)CC1 ZINC001004585390 837972440 /nfs/dbraw/zinc/97/24/40/837972440.db2.gz FGTRRAKDOTUHPF-CQSZACIVSA-N 1 2 299.378 1.317 20 30 CDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ncccn2)CC1 ZINC001004585390 837972442 /nfs/dbraw/zinc/97/24/42/837972442.db2.gz FGTRRAKDOTUHPF-CQSZACIVSA-N 1 2 299.378 1.317 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccco1 ZINC001050791142 838058968 /nfs/dbraw/zinc/05/89/68/838058968.db2.gz ZIZMBYUXHCZVBT-GFCCVEGCSA-N 1 2 264.325 1.286 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccco1 ZINC001050791142 838058983 /nfs/dbraw/zinc/05/89/83/838058983.db2.gz ZIZMBYUXHCZVBT-GFCCVEGCSA-N 1 2 264.325 1.286 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@H]3CC[C@@H](C)O3)C2)nc1 ZINC001031278227 838083153 /nfs/dbraw/zinc/08/31/53/838083153.db2.gz IFDBWMFBGNZTKA-IUODEOHRSA-N 1 2 299.374 1.044 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@]1(C)C=CCC1)CO2 ZINC001053896293 838123093 /nfs/dbraw/zinc/12/30/93/838123093.db2.gz VMGCAIAIEQLKIL-HOCLYGCPSA-N 1 2 288.391 1.326 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2coc3ccccc23)C1 ZINC001031145745 838124103 /nfs/dbraw/zinc/12/41/03/838124103.db2.gz RUEXDPUTBRLGQA-UHFFFAOYSA-N 1 2 282.343 1.799 20 30 CDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2ccon2)C1 ZINC001031561419 838210949 /nfs/dbraw/zinc/21/09/49/838210949.db2.gz LBFKTYYMHWZJTA-UHFFFAOYSA-N 1 2 296.330 1.408 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001030855690 838237949 /nfs/dbraw/zinc/23/79/49/838237949.db2.gz KLWDUTLYMIPEAO-UHFFFAOYSA-N 1 2 259.353 1.882 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2cccc3ncccc23)C1 ZINC001030662894 838808460 /nfs/dbraw/zinc/80/84/60/838808460.db2.gz FJNIGZOKCYIODQ-UHFFFAOYSA-N 1 2 281.359 1.764 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000884044929 838828358 /nfs/dbraw/zinc/82/83/58/838828358.db2.gz ATDMXTVNMXLKPA-TUAOUCFPSA-N 1 2 268.357 1.223 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cncnc1C1CC1 ZINC001038971615 838841364 /nfs/dbraw/zinc/84/13/64/838841364.db2.gz GXFFYZHWNCICDK-ZDUSSCGKSA-N 1 2 284.363 1.181 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cncnc1C1CC1 ZINC001038971615 838841365 /nfs/dbraw/zinc/84/13/65/838841365.db2.gz GXFFYZHWNCICDK-ZDUSSCGKSA-N 1 2 284.363 1.181 20 30 CDEDLO C#Cc1cncc(C(=O)NC[C@H]2COCC[N@H+]2CCC=C)c1 ZINC001051108083 838872819 /nfs/dbraw/zinc/87/28/19/838872819.db2.gz YTQVTWZYPBENPH-INIZCTEOSA-N 1 2 299.374 1.070 20 30 CDEDLO C#Cc1cncc(C(=O)NC[C@H]2COCC[N@@H+]2CCC=C)c1 ZINC001051108083 838872820 /nfs/dbraw/zinc/87/28/20/838872820.db2.gz YTQVTWZYPBENPH-INIZCTEOSA-N 1 2 299.374 1.070 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1snnc1C ZINC001032272688 838873992 /nfs/dbraw/zinc/87/39/92/838873992.db2.gz HKFHIVYWJGSPNM-QWRGUYRKSA-N 1 2 278.381 1.321 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1snnc1C ZINC001032272688 838873994 /nfs/dbraw/zinc/87/39/94/838873994.db2.gz HKFHIVYWJGSPNM-QWRGUYRKSA-N 1 2 278.381 1.321 20 30 CDEDLO Cc1nc(C#N)cc(N2CC[NH+](Cc3ccco3)CC2)n1 ZINC000881778006 838895040 /nfs/dbraw/zinc/89/50/40/838895040.db2.gz WYBAFKNKMKOJJY-UHFFFAOYSA-N 1 2 283.335 1.572 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)oc1C ZINC001017344793 838945183 /nfs/dbraw/zinc/94/51/83/838945183.db2.gz XCVOBGBLZPMXDR-OKILXGFUSA-N 1 2 272.348 1.818 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)oc1C ZINC001017344793 838945190 /nfs/dbraw/zinc/94/51/90/838945190.db2.gz XCVOBGBLZPMXDR-OKILXGFUSA-N 1 2 272.348 1.818 20 30 CDEDLO Cc1nc(NCC[C@H]2CCN(C(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001066286387 839043767 /nfs/dbraw/zinc/04/37/67/839043767.db2.gz PBJLGMNVHBOWES-YPMHNXCESA-N 1 2 287.367 1.595 20 30 CDEDLO Cc1ccc(NC(=O)N2CCO[C@@H](C#N)C2)c(N(C)C)[nH+]1 ZINC000162324376 839052552 /nfs/dbraw/zinc/05/25/52/839052552.db2.gz DGUXMIYYOUNRMJ-NSHDSACASA-N 1 2 289.339 1.212 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC1(F)F)CO2 ZINC001053793464 839059278 /nfs/dbraw/zinc/05/92/78/839059278.db2.gz QODCBIKKFDITBE-WDEREUQCSA-N 1 2 286.322 1.177 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccn(C)c2)C1 ZINC001033007023 839071104 /nfs/dbraw/zinc/07/11/04/839071104.db2.gz XYRIEABWXGLHJA-ZDUSSCGKSA-N 1 2 281.787 1.924 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(C)c2)C1 ZINC001033007023 839071114 /nfs/dbraw/zinc/07/11/14/839071114.db2.gz XYRIEABWXGLHJA-ZDUSSCGKSA-N 1 2 281.787 1.924 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccnc1N1CCCC1 ZINC001038473921 839103726 /nfs/dbraw/zinc/10/37/26/839103726.db2.gz RGAHJJMJPRVOEI-CQSZACIVSA-N 1 2 298.390 1.119 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccnc1N1CCCC1 ZINC001038473921 839103741 /nfs/dbraw/zinc/10/37/41/839103741.db2.gz RGAHJJMJPRVOEI-CQSZACIVSA-N 1 2 298.390 1.119 20 30 CDEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+]([C@H](C)C(N)=O)C2)CC1 ZINC001008416757 839242025 /nfs/dbraw/zinc/24/20/25/839242025.db2.gz INJKJLAXCDPWNG-OCCSQVGLSA-N 1 2 293.411 1.187 20 30 CDEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+]([C@H](C)C(N)=O)C2)CC1 ZINC001008416757 839242043 /nfs/dbraw/zinc/24/20/43/839242043.db2.gz INJKJLAXCDPWNG-OCCSQVGLSA-N 1 2 293.411 1.187 20 30 CDEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)/C(C)=C/C)C2)CC1 ZINC001052008085 839303690 /nfs/dbraw/zinc/30/36/90/839303690.db2.gz CMAQWAZXKOVORV-HSUWOCHWSA-N 1 2 289.423 1.194 20 30 CDEDLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1n[nH]c(C2CC2)c1C#N ZINC000897744251 839317787 /nfs/dbraw/zinc/31/77/87/839317787.db2.gz LDSAMMDPJCFQQL-LLVKDONJSA-N 1 2 287.367 1.970 20 30 CDEDLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1n[nH]c(C2CC2)c1C#N ZINC000897744251 839317805 /nfs/dbraw/zinc/31/78/05/839317805.db2.gz LDSAMMDPJCFQQL-LLVKDONJSA-N 1 2 287.367 1.970 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C)nc1C1CC1 ZINC001032759485 839356514 /nfs/dbraw/zinc/35/65/14/839356514.db2.gz PLENJJLSTFYYIQ-KBPBESRZSA-N 1 2 296.374 1.194 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C)nc1C1CC1 ZINC001032759485 839356517 /nfs/dbraw/zinc/35/65/17/839356517.db2.gz PLENJJLSTFYYIQ-KBPBESRZSA-N 1 2 296.374 1.194 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C)c(F)c2)C1 ZINC001030637983 839486520 /nfs/dbraw/zinc/48/65/20/839486520.db2.gz KCBMOQCWKQJWKU-UHFFFAOYSA-N 1 2 260.312 1.571 20 30 CDEDLO C#CCC[C@@H](O)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000799076376 839520949 /nfs/dbraw/zinc/52/09/49/839520949.db2.gz UNOMUHJGRFQHGF-CQSZACIVSA-N 1 2 285.347 1.076 20 30 CDEDLO N#CCC[C@H](C#N)C[NH+]1CCC(O)(Cc2ccccn2)CC1 ZINC000930984924 839568309 /nfs/dbraw/zinc/56/83/09/839568309.db2.gz WBYZFEAGWHTGMR-OAHLLOKOSA-N 1 2 298.390 1.895 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2ncc(Cl)s2)C1 ZINC001015264549 839587734 /nfs/dbraw/zinc/58/77/34/839587734.db2.gz QQQPJSPKUPFGNC-VIFPVBQESA-N 1 2 283.784 1.624 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2ncc(Cl)s2)C1 ZINC001015264549 839587765 /nfs/dbraw/zinc/58/77/65/839587765.db2.gz QQQPJSPKUPFGNC-VIFPVBQESA-N 1 2 283.784 1.624 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCc3cc(OC)ccc32)C1 ZINC001030409148 839626448 /nfs/dbraw/zinc/62/64/48/839626448.db2.gz WPSQCAVHIVJDGN-KRWDZBQOSA-N 1 2 298.386 1.549 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001038251191 839720990 /nfs/dbraw/zinc/72/09/90/839720990.db2.gz DMRFAPQLCLEQII-BBWFWOEESA-N 1 2 298.386 1.730 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001038251191 839721003 /nfs/dbraw/zinc/72/10/03/839721003.db2.gz DMRFAPQLCLEQII-BBWFWOEESA-N 1 2 298.386 1.730 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2snnc2C)[C@H]1C ZINC000993054903 839824563 /nfs/dbraw/zinc/82/45/63/839824563.db2.gz ZMBKYZRYLFJEBL-VXGBXAGGSA-N 1 2 292.408 1.453 20 30 CDEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2snnc2C)[C@H]1C ZINC000993054903 839824567 /nfs/dbraw/zinc/82/45/67/839824567.db2.gz ZMBKYZRYLFJEBL-VXGBXAGGSA-N 1 2 292.408 1.453 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000060462871 839828462 /nfs/dbraw/zinc/82/84/62/839828462.db2.gz ZSLOQTZIERVWKC-UHFFFAOYSA-N 1 2 287.363 1.027 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000060462871 839828467 /nfs/dbraw/zinc/82/84/67/839828467.db2.gz ZSLOQTZIERVWKC-UHFFFAOYSA-N 1 2 287.363 1.027 20 30 CDEDLO C=CCN1CCN(C[N@@H+](C)CC2=CCCOC2)C1=O ZINC000853562917 839853666 /nfs/dbraw/zinc/85/36/66/839853666.db2.gz ZEAIZCGMFOEFAJ-UHFFFAOYSA-N 1 2 265.357 1.146 20 30 CDEDLO C=CCN1CCN(C[N@H+](C)CC2=CCCOC2)C1=O ZINC000853562917 839853668 /nfs/dbraw/zinc/85/36/68/839853668.db2.gz ZEAIZCGMFOEFAJ-UHFFFAOYSA-N 1 2 265.357 1.146 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cnon2)CC1 ZINC001001283084 839874544 /nfs/dbraw/zinc/87/45/44/839874544.db2.gz YCKKJWVAOQCEPP-UHFFFAOYSA-N 1 2 282.731 1.184 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cnon2)CC1 ZINC001001283084 839874547 /nfs/dbraw/zinc/87/45/47/839874547.db2.gz YCKKJWVAOQCEPP-UHFFFAOYSA-N 1 2 282.731 1.184 20 30 CDEDLO C[C@H]1CC(N=Nc2cccc(S(C)(=O)=O)c2)C[N@@H+]1C ZINC000776260403 840031771 /nfs/dbraw/zinc/03/17/71/840031771.db2.gz CPXAOQPTPALMAR-JTQLQIEISA-N 1 2 281.381 1.582 20 30 CDEDLO C[C@H]1CC(N=Nc2cccc(S(C)(=O)=O)c2)C[N@H+]1C ZINC000776260403 840031780 /nfs/dbraw/zinc/03/17/80/840031780.db2.gz CPXAOQPTPALMAR-JTQLQIEISA-N 1 2 281.381 1.582 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnoc2)C1 ZINC001015598310 840100747 /nfs/dbraw/zinc/10/07/47/840100747.db2.gz LIDDMZKIZFKGBN-LLVKDONJSA-N 1 2 269.732 1.160 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cnoc2)C1 ZINC001015598310 840100754 /nfs/dbraw/zinc/10/07/54/840100754.db2.gz LIDDMZKIZFKGBN-LLVKDONJSA-N 1 2 269.732 1.160 20 30 CDEDLO C#C[C@H]([NH2+][C@H](C)c1cn(C(C)C)nn1)[C@H]1CCCO1 ZINC000926209115 840126625 /nfs/dbraw/zinc/12/66/25/840126625.db2.gz CMWMAWJQEOAEJU-MBNYWOFBSA-N 1 2 262.357 1.690 20 30 CDEDLO C#CC[C@H]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000888833013 840150486 /nfs/dbraw/zinc/15/04/86/840150486.db2.gz TUAYZWNBBTVWFF-QWHCGFSZSA-N 1 2 272.352 1.253 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2[nH]nc3c2CCCC3)C1 ZINC001030312831 840190973 /nfs/dbraw/zinc/19/09/73/840190973.db2.gz JBCRNMIYRXGKMW-UHFFFAOYSA-N 1 2 288.395 1.208 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)C(C)(C)C)C2)C1 ZINC000972435063 840330278 /nfs/dbraw/zinc/33/02/78/840330278.db2.gz LKHQPYOTGDDDKY-PBHICJAKSA-N 1 2 292.423 1.605 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)C(C)(C)C)C2)C1 ZINC000972435063 840330297 /nfs/dbraw/zinc/33/02/97/840330297.db2.gz LKHQPYOTGDDDKY-PBHICJAKSA-N 1 2 292.423 1.605 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn3c2C[C@@H](C)CC3)C1 ZINC001031323001 840563929 /nfs/dbraw/zinc/56/39/29/840563929.db2.gz SBFLXYMOBNNSOO-LBPRGKRZSA-N 1 2 288.395 1.456 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2c1COCC2 ZINC001038332456 840569690 /nfs/dbraw/zinc/56/96/90/840569690.db2.gz NLRXKNODRAFTPQ-HNNXBMFYSA-N 1 2 298.386 1.587 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2c1COCC2 ZINC001038332456 840569710 /nfs/dbraw/zinc/56/97/10/840569710.db2.gz NLRXKNODRAFTPQ-HNNXBMFYSA-N 1 2 298.386 1.587 20 30 CDEDLO C#CCC(C)(C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000855410748 840671704 /nfs/dbraw/zinc/67/17/04/840671704.db2.gz LNUURJSFCUDMOZ-OLZOCXBDSA-N 1 2 266.385 1.261 20 30 CDEDLO C#CCC(C)(C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000855410748 840671721 /nfs/dbraw/zinc/67/17/21/840671721.db2.gz LNUURJSFCUDMOZ-OLZOCXBDSA-N 1 2 266.385 1.261 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001031069304 840704135 /nfs/dbraw/zinc/70/41/35/840704135.db2.gz XNAFTEDAIRFOSW-LBPRGKRZSA-N 1 2 260.337 1.515 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C)C1 ZINC001033326712 840746163 /nfs/dbraw/zinc/74/61/63/840746163.db2.gz XEEWVDLFBYHDNV-YUSALJHKSA-N 1 2 256.777 1.928 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C)C1 ZINC001033326712 840746152 /nfs/dbraw/zinc/74/61/52/840746152.db2.gz XEEWVDLFBYHDNV-YUSALJHKSA-N 1 2 256.777 1.928 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccnc(OC)c1 ZINC000854511095 840750843 /nfs/dbraw/zinc/75/08/43/840750843.db2.gz KMPPORBEZGBLMS-LBPRGKRZSA-N 1 2 259.309 1.126 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccnc(OC)c1 ZINC000854511095 840750859 /nfs/dbraw/zinc/75/08/59/840750859.db2.gz KMPPORBEZGBLMS-LBPRGKRZSA-N 1 2 259.309 1.126 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(C[C@@H]3CCC(=O)O3)CC2)cc1 ZINC000821347922 840801855 /nfs/dbraw/zinc/80/18/55/840801855.db2.gz JERVOVKPZLWBKH-INIZCTEOSA-N 1 2 299.374 1.381 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccnn2C(F)F)C1 ZINC001042791502 840861095 /nfs/dbraw/zinc/86/10/95/840861095.db2.gz YIISBNNLUOOHAV-UHFFFAOYSA-N 1 2 282.294 1.058 20 30 CDEDLO CC(C)c1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H](C)C#N)C2)o1 ZINC001018629832 841070392 /nfs/dbraw/zinc/07/03/92/841070392.db2.gz BBMQTLDATRFWMD-MNOVXSKESA-N 1 2 291.355 1.043 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc3nccn3c2)C1 ZINC001044170397 841072281 /nfs/dbraw/zinc/07/22/81/841072281.db2.gz PSRSFSFFDVPNPX-UHFFFAOYSA-N 1 2 284.363 1.667 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001043318931 841103863 /nfs/dbraw/zinc/10/38/63/841103863.db2.gz BEYCNERNTWHIQA-CHWSQXEVSA-N 1 2 250.386 1.997 20 30 CDEDLO Cc1nc(C)n(C2C[NH+](C[C@H](O)c3ccc(C#N)cc3)C2)n1 ZINC000818172186 841120591 /nfs/dbraw/zinc/12/05/91/841120591.db2.gz KCEXUSNUVPXFTL-INIZCTEOSA-N 1 2 297.362 1.357 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC=CCC1)O2 ZINC001053572966 841137934 /nfs/dbraw/zinc/13/79/34/841137934.db2.gz YGSDINKENVYCRL-CABCVRRESA-N 1 2 290.407 1.878 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC=CCC1)CO2 ZINC001053735446 841142192 /nfs/dbraw/zinc/14/21/92/841142192.db2.gz GEFVSILFSBBIAV-LSDHHAIUSA-N 1 2 290.407 1.878 20 30 CDEDLO C=CCONC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000838701685 841185068 /nfs/dbraw/zinc/18/50/68/841185068.db2.gz DXBSPOAJCFXQMM-UHFFFAOYSA-N 1 2 281.381 1.693 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](CC)O1 ZINC001017594152 841242707 /nfs/dbraw/zinc/24/27/07/841242707.db2.gz OUTJWDSYAFXYBG-XGUBFFRZSA-N 1 2 276.380 1.252 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](CC)O1 ZINC001017594152 841242715 /nfs/dbraw/zinc/24/27/15/841242715.db2.gz OUTJWDSYAFXYBG-XGUBFFRZSA-N 1 2 276.380 1.252 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCO[C@H](C(C)C)C2)C1 ZINC001031208011 841314193 /nfs/dbraw/zinc/31/41/93/841314193.db2.gz QSOMGVGCAHMZQN-ZFWWWQNUSA-N 1 2 280.412 1.814 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001038506619 841329393 /nfs/dbraw/zinc/32/93/93/841329393.db2.gz ZLXSUSTWFQTRRK-FMKPAKJESA-N 1 2 276.380 1.159 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001038506619 841329401 /nfs/dbraw/zinc/32/94/01/841329401.db2.gz ZLXSUSTWFQTRRK-FMKPAKJESA-N 1 2 276.380 1.159 20 30 CDEDLO C#C[C@H](CCC)NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000820660811 841343628 /nfs/dbraw/zinc/34/36/28/841343628.db2.gz MCAJNKRTPXKDDK-UONOGXRCSA-N 1 2 281.400 1.150 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C(C)C ZINC001017815878 841357256 /nfs/dbraw/zinc/35/72/56/841357256.db2.gz CNMVDHCAXHPPBV-HZSPNIEDSA-N 1 2 266.360 1.679 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C(C)C ZINC001017815878 841357261 /nfs/dbraw/zinc/35/72/61/841357261.db2.gz CNMVDHCAXHPPBV-HZSPNIEDSA-N 1 2 266.360 1.679 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)noc1C ZINC001032272976 841357662 /nfs/dbraw/zinc/35/76/62/841357662.db2.gz QHWAUTLLMMBRGY-STQMWFEESA-N 1 2 273.336 1.213 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)noc1C ZINC001032272976 841357669 /nfs/dbraw/zinc/35/76/69/841357669.db2.gz QHWAUTLLMMBRGY-STQMWFEESA-N 1 2 273.336 1.213 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ncn(C)n2)CC[C@H]1C ZINC001071487375 841477576 /nfs/dbraw/zinc/47/75/76/841477576.db2.gz IQNPWIYCLPXRND-GHMZBOCLSA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ncn(C)n2)CC[C@H]1C ZINC001071487375 841477616 /nfs/dbraw/zinc/47/76/16/841477616.db2.gz IQNPWIYCLPXRND-GHMZBOCLSA-N 1 2 297.790 1.150 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C#Cc1ccccc1 ZINC000874705442 841544373 /nfs/dbraw/zinc/54/43/73/841544373.db2.gz VVMCMUAJVUYUFB-MRXNPFEDSA-N 1 2 286.375 1.265 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C#Cc1ccccc1 ZINC000874705442 841544390 /nfs/dbraw/zinc/54/43/90/841544390.db2.gz VVMCMUAJVUYUFB-MRXNPFEDSA-N 1 2 286.375 1.265 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cnccc2C)C1 ZINC001042961919 841708812 /nfs/dbraw/zinc/70/88/12/841708812.db2.gz AGXRSZIAFBKVHM-UHFFFAOYSA-N 1 2 259.353 1.261 20 30 CDEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc[nH]n1)CC2 ZINC001035655506 841750713 /nfs/dbraw/zinc/75/07/13/841750713.db2.gz ILTUOKATMYLUAC-UHFFFAOYSA-N 1 2 294.786 1.700 20 30 CDEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccn[nH]1)CC2 ZINC001035655506 841750733 /nfs/dbraw/zinc/75/07/33/841750733.db2.gz ILTUOKATMYLUAC-UHFFFAOYSA-N 1 2 294.786 1.700 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c2c1CCCCC2 ZINC001032784778 841762685 /nfs/dbraw/zinc/76/26/85/841762685.db2.gz IFZUHBKKYPXZRS-STQMWFEESA-N 1 2 298.390 1.211 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c2c1CCCCC2 ZINC001032784778 841762723 /nfs/dbraw/zinc/76/27/23/841762723.db2.gz IFZUHBKKYPXZRS-STQMWFEESA-N 1 2 298.390 1.211 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(CF)cc2)C1 ZINC001031457328 841810598 /nfs/dbraw/zinc/81/05/98/841810598.db2.gz 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C#CC[N@H+]1CCC[C@@H](NC(=O)c2sc(C)nc2C)C1 ZINC000923590252 841839118 /nfs/dbraw/zinc/83/91/18/841839118.db2.gz SLDJXBBXIFTVAQ-GFCCVEGCSA-N 1 2 277.393 1.587 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2sc(C)nc2C)C1 ZINC000923590252 841839121 /nfs/dbraw/zinc/83/91/21/841839121.db2.gz SLDJXBBXIFTVAQ-GFCCVEGCSA-N 1 2 277.393 1.587 20 30 CDEDLO C=CCN1CC[C@@H](OC(=O)[C@H]2CCCC[N@H+]2CC)C1=O ZINC000798622620 841843075 /nfs/dbraw/zinc/84/30/75/841843075.db2.gz ASYFPZOYHZYPOP-CHWSQXEVSA-N 1 2 280.368 1.191 20 30 CDEDLO C=CCN1CC[C@@H](OC(=O)[C@H]2CCCC[N@@H+]2CC)C1=O ZINC000798622620 841843076 /nfs/dbraw/zinc/84/30/76/841843076.db2.gz ASYFPZOYHZYPOP-CHWSQXEVSA-N 1 2 280.368 1.191 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001007556273 841868641 /nfs/dbraw/zinc/86/86/41/841868641.db2.gz XZAMELWTSURRPU-JTQLQIEISA-N 1 2 298.774 1.370 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001007556273 841868643 /nfs/dbraw/zinc/86/86/43/841868643.db2.gz 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255.343 1.819 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2c(C)cncc2C)C1 ZINC001035448784 842264931 /nfs/dbraw/zinc/26/49/31/842264931.db2.gz QXXUDFLEOXUSIK-AWEZNQCLSA-N 1 2 289.379 1.315 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2c(C)cncc2C)C1 ZINC001035448784 842264944 /nfs/dbraw/zinc/26/49/44/842264944.db2.gz QXXUDFLEOXUSIK-AWEZNQCLSA-N 1 2 289.379 1.315 20 30 CDEDLO C#CC[N@H+]1CC[C@](C)(NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001046388863 842298909 /nfs/dbraw/zinc/29/89/09/842298909.db2.gz XROFZJACAHAMKN-AWEZNQCLSA-N 1 2 294.786 1.453 20 30 CDEDLO C#CC[N@@H+]1CC[C@](C)(NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001046388863 842298931 /nfs/dbraw/zinc/29/89/31/842298931.db2.gz XROFZJACAHAMKN-AWEZNQCLSA-N 1 2 294.786 1.453 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001032332944 842489011 /nfs/dbraw/zinc/48/90/11/842489011.db2.gz IHCLPMAWTFQQHZ-BTFPBAQTSA-N 1 2 258.365 1.341 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001032332944 842489030 /nfs/dbraw/zinc/48/90/30/842489030.db2.gz IHCLPMAWTFQQHZ-BTFPBAQTSA-N 1 2 258.365 1.341 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC23CCC3)C1 ZINC001035527849 842588069 /nfs/dbraw/zinc/58/80/69/842588069.db2.gz ZGBYZGSWKHICNT-OLZOCXBDSA-N 1 2 264.369 1.180 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC23CCC3)C1 ZINC001035527849 842588081 /nfs/dbraw/zinc/58/80/81/842588081.db2.gz ZGBYZGSWKHICNT-OLZOCXBDSA-N 1 2 264.369 1.180 20 30 CDEDLO C=CCN1CC[C@@H](OC(=O)[C@@H]2CCCC[N@H+]2CC)C1=O ZINC000798622623 842781079 /nfs/dbraw/zinc/78/10/79/842781079.db2.gz ASYFPZOYHZYPOP-QWHCGFSZSA-N 1 2 280.368 1.191 20 30 CDEDLO C=CCN1CC[C@@H](OC(=O)[C@@H]2CCCC[N@@H+]2CC)C1=O ZINC000798622623 842781089 /nfs/dbraw/zinc/78/10/89/842781089.db2.gz ASYFPZOYHZYPOP-QWHCGFSZSA-N 1 2 280.368 1.191 20 30 CDEDLO C=CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3[nH]nnc3c2)C1 ZINC001034034587 842844004 /nfs/dbraw/zinc/84/40/04/842844004.db2.gz KNLXGFRUFIRPCZ-CYBMUJFWSA-N 1 2 299.378 1.680 20 30 CDEDLO 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N#Cc1ccc(NC(=O)Cc2c[nH]c[nH+]2)c(C#N)c1 ZINC001176833812 914294229 /nfs/dbraw/zinc/29/42/29/914294229.db2.gz YFESJLKSZOFHDZ-UHFFFAOYSA-N 1 2 251.249 1.334 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)CC2CC2)[C@@H](O)C1 ZINC001083307765 900520788 /nfs/dbraw/zinc/52/07/88/900520788.db2.gz VQMBDPRYXLTNMX-CVEARBPZSA-N 1 2 299.374 1.020 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)CC2CC2)[C@@H](O)C1 ZINC001083307765 900520799 /nfs/dbraw/zinc/52/07/99/900520799.db2.gz VQMBDPRYXLTNMX-CVEARBPZSA-N 1 2 299.374 1.020 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001103938010 902814127 /nfs/dbraw/zinc/81/41/27/902814127.db2.gz QJEHRISZXWARCO-XHDPSFHLSA-N 1 2 292.383 1.276 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001269155715 903489621 /nfs/dbraw/zinc/48/96/21/903489621.db2.gz CKDZKLFAZCUJMP-GFCCVEGCSA-N 1 2 276.384 1.323 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001269155715 903489627 /nfs/dbraw/zinc/48/96/27/903489627.db2.gz 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909375598 /nfs/dbraw/zinc/37/55/98/909375598.db2.gz WYOBRYNFASKNFK-LLVKDONJSA-N 1 2 290.367 1.373 20 30 CDEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CCC1)c1nccn12 ZINC001092342700 909384599 /nfs/dbraw/zinc/38/45/99/909384599.db2.gz TXZNDONZMQOLGW-CQSZACIVSA-N 1 2 298.390 1.278 20 30 CDEDLO CC(C)(C)C#CC(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001126893514 909593740 /nfs/dbraw/zinc/59/37/40/909593740.db2.gz PQICHLROVIOWCD-UHFFFAOYSA-N 1 2 289.379 1.807 20 30 CDEDLO Cc1ccc(C#N)nc1N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001168366777 909913855 /nfs/dbraw/zinc/91/38/55/909913855.db2.gz FODIWFRJNBGKRB-CYBMUJFWSA-N 1 2 272.352 1.537 20 30 CDEDLO Cc1ccc(C#N)nc1N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001168366777 909913868 /nfs/dbraw/zinc/91/38/68/909913868.db2.gz FODIWFRJNBGKRB-CYBMUJFWSA-N 1 2 272.352 1.537 20 30 CDEDLO Cc1nc(NCCCNC(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001094401553 910581154 /nfs/dbraw/zinc/58/11/54/910581154.db2.gz CTFRMAUQHUVQIT-UHFFFAOYSA-N 1 2 274.368 1.753 20 30 CDEDLO O=C(C#Cc1ccccn1)Nc1ccn2cc[nH+]c2c1 ZINC001177800585 914941582 /nfs/dbraw/zinc/94/15/82/914941582.db2.gz AQFAVLCRSRLKQA-UHFFFAOYSA-N 1 2 262.272 1.720 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)[C@@H](C#N)Cc1cccs1 ZINC001177918070 915029924 /nfs/dbraw/zinc/02/99/24/915029924.db2.gz PCSPEPUEKMFJIV-LLVKDONJSA-N 1 2 288.376 1.523 20 30 CDEDLO C=CCCC(=O)NCC[NH2+]Cc1nn(C)cc1Cl ZINC001124640858 936327760 /nfs/dbraw/zinc/32/77/60/936327760.db2.gz RETGFCGRWUJQOB-UHFFFAOYSA-N 1 2 270.764 1.246 20 30 CDEDLO C=CCCC(=O)NCC[NH2+]Cc1nc(CC2CC2)no1 ZINC001124640965 917513371 /nfs/dbraw/zinc/51/33/71/917513371.db2.gz WKMAOLQBPQLRGJ-UHFFFAOYSA-N 1 2 278.356 1.194 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC)C2 ZINC001110257640 917711398 /nfs/dbraw/zinc/71/13/98/917711398.db2.gz DWGDTXYRXCUYRT-UTUOFQBUSA-N 1 2 272.776 1.497 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC)C2 ZINC001110257640 917711413 /nfs/dbraw/zinc/71/14/13/917711413.db2.gz DWGDTXYRXCUYRT-UTUOFQBUSA-N 1 2 272.776 1.497 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)c2ccc(C#N)cc2)CC1 ZINC001182791322 918127316 /nfs/dbraw/zinc/12/73/16/918127316.db2.gz HQPODIFAYIEYJG-CQSZACIVSA-N 1 2 283.375 1.992 20 30 CDEDLO C#CCOc1ccc(CN(CC)C2C[NH+](C)C2)cc1OC ZINC001138346293 936523074 /nfs/dbraw/zinc/52/30/74/936523074.db2.gz AXNBMBXZXORAFY-UHFFFAOYSA-N 1 2 288.391 1.843 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)OCC2CC2)C1 ZINC001107794257 918785578 /nfs/dbraw/zinc/78/55/78/918785578.db2.gz YSDVDYOVVYSZQO-XJKSGUPXSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)OCC2CC2)C1 ZINC001107794257 918785584 /nfs/dbraw/zinc/78/55/84/918785584.db2.gz YSDVDYOVVYSZQO-XJKSGUPXSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCC2CC2)C1 ZINC001107826653 918844491 /nfs/dbraw/zinc/84/44/91/918844491.db2.gz APFUQHUKRWJSMY-HNNXBMFYSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCC2CC2)C1 ZINC001107826653 918844499 /nfs/dbraw/zinc/84/44/99/918844499.db2.gz APFUQHUKRWJSMY-HNNXBMFYSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccncc2C)C1 ZINC001107926985 919061946 /nfs/dbraw/zinc/06/19/46/919061946.db2.gz RBNXTYMHMCIDKM-INIZCTEOSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccncc2C)C1 ZINC001107926985 919061964 /nfs/dbraw/zinc/06/19/64/919061964.db2.gz RBNXTYMHMCIDKM-INIZCTEOSA-N 1 2 289.379 1.397 20 30 CDEDLO N#Cc1ncc(Nc2ccc[nH+]c2N2CCOCC2)cn1 ZINC001212352001 919238156 /nfs/dbraw/zinc/23/81/56/919238156.db2.gz CLAVQOFCIDHKDW-UHFFFAOYSA-N 1 2 282.307 1.323 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cncc(F)c2)C1=O ZINC001272795990 919307489 /nfs/dbraw/zinc/30/74/89/919307489.db2.gz UAVXYBQQUYHTIC-MRXNPFEDSA-N 1 2 289.354 1.974 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cncc(F)c2)C1=O ZINC001272795990 919307502 /nfs/dbraw/zinc/30/75/02/919307502.db2.gz UAVXYBQQUYHTIC-MRXNPFEDSA-N 1 2 289.354 1.974 20 30 CDEDLO N#Cc1cccc2c(C[N@@H+]3C[C@@H]4COC[C@H](C3)C4=O)c[nH]c21 ZINC001139707694 936638569 /nfs/dbraw/zinc/63/85/69/936638569.db2.gz PDQHPQPDNYNTNG-OKILXGFUSA-N 1 2 295.342 1.687 20 30 CDEDLO N#Cc1cccc2c(C[N@H+]3C[C@@H]4COC[C@H](C3)C4=O)c[nH]c21 ZINC001139707694 936638570 /nfs/dbraw/zinc/63/85/70/936638570.db2.gz PDQHPQPDNYNTNG-OKILXGFUSA-N 1 2 295.342 1.687 20 30 CDEDLO C=CCn1cc(C[NH+]2CCN(c3cncnc3)CC2)cn1 ZINC001139770793 936645533 /nfs/dbraw/zinc/64/55/33/936645533.db2.gz BDQMGMRIQOQLQV-UHFFFAOYSA-N 1 2 284.367 1.181 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C#CC(C)C)[C@@H]2C1 ZINC001187803661 920661115 /nfs/dbraw/zinc/66/11/15/920661115.db2.gz FOMIEGVWJZTDLT-UONOGXRCSA-N 1 2 280.799 1.931 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C#CC(C)C)[C@@H]2C1 ZINC001187803661 920661124 /nfs/dbraw/zinc/66/11/24/920661124.db2.gz FOMIEGVWJZTDLT-UONOGXRCSA-N 1 2 280.799 1.931 20 30 CDEDLO N#Cc1ccc2[nH]cc(C[NH+]3CCN(C(N)=O)CC3)c2c1 ZINC001140114437 936679344 /nfs/dbraw/zinc/67/93/44/936679344.db2.gz PNQUHQOTDQXXTN-UHFFFAOYSA-N 1 2 283.335 1.236 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CC(=C)Cl)C[C@H]21 ZINC001187882560 920742852 /nfs/dbraw/zinc/74/28/52/920742852.db2.gz RBVKSBMWQOBXOE-MELADBBJSA-N 1 2 296.798 1.310 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC(=C)Cl)C[C@H]21 ZINC001187882560 920742859 /nfs/dbraw/zinc/74/28/59/920742859.db2.gz RBVKSBMWQOBXOE-MELADBBJSA-N 1 2 296.798 1.310 20 30 CDEDLO C=CC[N@@H+](C)Cc1nc(Br)cnc1N ZINC001140263337 936694044 /nfs/dbraw/zinc/69/40/44/936694044.db2.gz XBDJFGPAMKRRSQ-UHFFFAOYSA-N 1 2 257.135 1.439 20 30 CDEDLO C=CC[N@H+](C)Cc1nc(Br)cnc1N ZINC001140263337 936694046 /nfs/dbraw/zinc/69/40/46/936694046.db2.gz XBDJFGPAMKRRSQ-UHFFFAOYSA-N 1 2 257.135 1.439 20 30 CDEDLO CC#CC[N@H+](C)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190268924 921946343 /nfs/dbraw/zinc/94/63/43/921946343.db2.gz GFMIBXNMKFUARY-VHSXEESVSA-N 1 2 280.265 1.443 20 30 CDEDLO CC#CC[N@@H+](C)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190268924 921946352 /nfs/dbraw/zinc/94/63/52/921946352.db2.gz GFMIBXNMKFUARY-VHSXEESVSA-N 1 2 280.265 1.443 20 30 CDEDLO CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001190268924 921946364 /nfs/dbraw/zinc/94/63/64/921946364.db2.gz GFMIBXNMKFUARY-VHSXEESVSA-N 1 2 280.265 1.443 20 30 CDEDLO CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001190268924 921946375 /nfs/dbraw/zinc/94/63/75/921946375.db2.gz GFMIBXNMKFUARY-VHSXEESVSA-N 1 2 280.265 1.443 20 30 CDEDLO CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)nc1 ZINC001140544633 936722785 /nfs/dbraw/zinc/72/27/85/936722785.db2.gz WYNGALWWHJRNPF-HNNXBMFYSA-N 1 2 286.379 1.834 20 30 CDEDLO CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)nc1 ZINC001140544633 936722787 /nfs/dbraw/zinc/72/27/87/936722787.db2.gz WYNGALWWHJRNPF-HNNXBMFYSA-N 1 2 286.379 1.834 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)nc1 ZINC001140545882 936723445 /nfs/dbraw/zinc/72/34/45/936723445.db2.gz ODFMMWKQZRPIGC-ZDUSSCGKSA-N 1 2 258.325 1.006 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)nc1 ZINC001140545882 936723447 /nfs/dbraw/zinc/72/34/47/936723447.db2.gz ODFMMWKQZRPIGC-ZDUSSCGKSA-N 1 2 258.325 1.006 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](OC)C2CCC2)C1 ZINC001108101825 922128945 /nfs/dbraw/zinc/12/89/45/922128945.db2.gz SOBXEINLFWHNPL-GOEBONIOSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](OC)C2CCC2)C1 ZINC001108101825 922128955 /nfs/dbraw/zinc/12/89/55/922128955.db2.gz SOBXEINLFWHNPL-GOEBONIOSA-N 1 2 296.411 1.195 20 30 CDEDLO Cc1nccnc1C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001140936742 936779168 /nfs/dbraw/zinc/77/91/68/936779168.db2.gz ZMEFQRDYKWILLY-GFCCVEGCSA-N 1 2 261.350 1.559 20 30 CDEDLO Cc1nccnc1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001140936742 936779170 /nfs/dbraw/zinc/77/91/70/936779170.db2.gz ZMEFQRDYKWILLY-GFCCVEGCSA-N 1 2 261.350 1.559 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@]2(C)C=CCC2)C1 ZINC001108138573 922730065 /nfs/dbraw/zinc/73/00/65/922730065.db2.gz QHFJXYPKBVAJOO-CVEARBPZSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@]2(C)C=CCC2)C1 ZINC001108138573 922730077 /nfs/dbraw/zinc/73/00/77/922730077.db2.gz QHFJXYPKBVAJOO-CVEARBPZSA-N 1 2 278.396 1.736 20 30 CDEDLO Cc1c[nH]c(CCNC(=O)c2c(F)cc(C#N)cc2F)[nH+]1 ZINC001191935967 922822446 /nfs/dbraw/zinc/82/24/46/922822446.db2.gz JUAPWKHQKSAEKO-UHFFFAOYSA-N 1 2 290.273 1.841 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc[nH]c2)C1 ZINC001079740113 924418869 /nfs/dbraw/zinc/41/88/69/924418869.db2.gz YUYDJYYDOJGKCQ-BXKDBHETSA-N 1 2 267.760 1.817 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc[nH]c2)C1 ZINC001079740113 924418871 /nfs/dbraw/zinc/41/88/71/924418871.db2.gz YUYDJYYDOJGKCQ-BXKDBHETSA-N 1 2 267.760 1.817 20 30 CDEDLO COCC#CC[N@@H+]1CCCN(C(=O)C(F)=C(C)C)CC1 ZINC001195473535 924618818 /nfs/dbraw/zinc/61/88/18/924618818.db2.gz REVHVHUBAIYXBT-UHFFFAOYSA-N 1 2 282.359 1.434 20 30 CDEDLO COCC#CC[N@H+]1CCCN(C(=O)C(F)=C(C)C)CC1 ZINC001195473535 924618821 /nfs/dbraw/zinc/61/88/21/924618821.db2.gz REVHVHUBAIYXBT-UHFFFAOYSA-N 1 2 282.359 1.434 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2scnc2C)[C@H](OC)C1 ZINC001081398668 924746705 /nfs/dbraw/zinc/74/67/05/924746705.db2.gz SPBBEYFDUPZJMG-GHMZBOCLSA-N 1 2 281.381 1.067 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2scnc2C)[C@H](OC)C1 ZINC001081398668 924746710 /nfs/dbraw/zinc/74/67/10/924746710.db2.gz SPBBEYFDUPZJMG-GHMZBOCLSA-N 1 2 281.381 1.067 20 30 CDEDLO C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)C(F)(F)F ZINC001114309597 924752834 /nfs/dbraw/zinc/75/28/34/924752834.db2.gz ZBVHWJOGXQVMAZ-VPOLOUISSA-N 1 2 294.292 1.899 20 30 CDEDLO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)C(F)(F)F ZINC001114309597 924752839 /nfs/dbraw/zinc/75/28/39/924752839.db2.gz ZBVHWJOGXQVMAZ-VPOLOUISSA-N 1 2 294.292 1.899 20 30 CDEDLO C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)C(F)(F)F ZINC001114309597 924752846 /nfs/dbraw/zinc/75/28/46/924752846.db2.gz ZBVHWJOGXQVMAZ-VPOLOUISSA-N 1 2 294.292 1.899 20 30 CDEDLO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)C(F)(F)F ZINC001114309597 924752852 /nfs/dbraw/zinc/75/28/52/924752852.db2.gz ZBVHWJOGXQVMAZ-VPOLOUISSA-N 1 2 294.292 1.899 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@]2(C)CC=CCC2)[C@H](OC)C1 ZINC001081730905 924785635 /nfs/dbraw/zinc/78/56/35/924785635.db2.gz RGQKYHZYGBMFLU-IIAWOOMASA-N 1 2 276.380 1.181 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@]2(C)CC=CCC2)[C@H](OC)C1 ZINC001081730905 924785639 /nfs/dbraw/zinc/78/56/39/924785639.db2.gz RGQKYHZYGBMFLU-IIAWOOMASA-N 1 2 276.380 1.181 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccncc3)[C@@H]2C1 ZINC001084150692 925161749 /nfs/dbraw/zinc/16/17/49/925161749.db2.gz BJXWTWCTQFYOCJ-ZIAGYGMSSA-N 1 2 291.782 1.980 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccncc3)[C@@H]2C1 ZINC001084150692 925161755 /nfs/dbraw/zinc/16/17/55/925161755.db2.gz BJXWTWCTQFYOCJ-ZIAGYGMSSA-N 1 2 291.782 1.980 20 30 CDEDLO C=CCOCC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230538017 925495094 /nfs/dbraw/zinc/49/50/94/925495094.db2.gz NTGYVIKKBNFNTL-OAHLLOKOSA-N 1 2 291.395 1.416 20 30 CDEDLO C=CCOCC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001230538017 925495100 /nfs/dbraw/zinc/49/51/00/925495100.db2.gz NTGYVIKKBNFNTL-OAHLLOKOSA-N 1 2 291.395 1.416 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1snnc1C ZINC001085479449 926047429 /nfs/dbraw/zinc/04/74/29/926047429.db2.gz TUTSOCPTAISWSM-JTQLQIEISA-N 1 2 266.370 1.179 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1snnc1C ZINC001085479449 926047434 /nfs/dbraw/zinc/04/74/34/926047434.db2.gz TUTSOCPTAISWSM-JTQLQIEISA-N 1 2 266.370 1.179 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1coc(CC)n1 ZINC001085557296 926150339 /nfs/dbraw/zinc/15/03/39/926150339.db2.gz OLEYLBDWUBHEGZ-GFCCVEGCSA-N 1 2 275.352 1.407 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1coc(CC)n1 ZINC001085557296 926150343 /nfs/dbraw/zinc/15/03/43/926150343.db2.gz OLEYLBDWUBHEGZ-GFCCVEGCSA-N 1 2 275.352 1.407 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(C)c(C)cc1=O ZINC001085651646 926249123 /nfs/dbraw/zinc/24/91/23/926249123.db2.gz ZWVKFAGSNYSYAB-ZDUSSCGKSA-N 1 2 289.379 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292.408 1.897 20 30 CDEDLO CCCCN(CC#N)C(=O)c1nc2c(s1)C[N@@H+](C)CC2 ZINC001154219515 937518110 /nfs/dbraw/zinc/51/81/10/937518110.db2.gz YTWOTCWGZCEVOI-UHFFFAOYSA-N 1 2 292.408 1.897 20 30 CDEDLO C=C[C@H]1C[C@]1(NC(=O)c1cccc2[nH+]ccn21)C(=O)OCC ZINC001154525677 937553695 /nfs/dbraw/zinc/55/36/95/937553695.db2.gz RYCRIGARSABBPQ-MEDUHNTESA-N 1 2 299.330 1.572 20 30 CDEDLO C[C@@H](CC#N)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001411777396 932012287 /nfs/dbraw/zinc/01/22/87/932012287.db2.gz IKDZCBGAOWQRDM-JTQLQIEISA-N 1 2 270.292 1.610 20 30 CDEDLO C=CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1cnon1)C2 ZINC001148199914 932658478 /nfs/dbraw/zinc/65/84/78/932658478.db2.gz VLQRKEDNJICPPB-UHFFFAOYSA-N 1 2 290.367 1.460 20 30 CDEDLO C=CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1cnon1)C2 ZINC001148199914 932658483 /nfs/dbraw/zinc/65/84/83/932658483.db2.gz VLQRKEDNJICPPB-UHFFFAOYSA-N 1 2 290.367 1.460 20 30 CDEDLO C=CCCOCC(=O)NCCCN(C)c1cc[nH+]c(C)n1 ZINC001095580408 932720380 /nfs/dbraw/zinc/72/03/80/932720380.db2.gz 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/nfs/dbraw/zinc/75/47/94/935754794.db2.gz KFBCKQIBMJHVBA-AWEZNQCLSA-N 1 2 260.312 1.571 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1nccc(C#N)c1F ZINC001162850402 939153273 /nfs/dbraw/zinc/15/32/73/939153273.db2.gz VICXWORCOSVZEC-VIFPVBQESA-N 1 2 280.303 1.173 20 30 CDEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCCC[C@H]3CO)c12 ZINC001163552745 939285555 /nfs/dbraw/zinc/28/55/55/939285555.db2.gz HTUKJERHMOUVOJ-NSHDSACASA-N 1 2 256.309 1.786 20 30 CDEDLO CCc1cc(C[NH+]2CCN(C(C)=O)CC2)ccc1C#N ZINC001238760418 945240995 /nfs/dbraw/zinc/24/09/95/945240995.db2.gz KNJPNPDEUISLSM-UHFFFAOYSA-N 1 2 271.364 1.785 20 30 CDEDLO N#CC1(c2cc[nH+]c(NC[C@@H]3CCC(=O)N3)c2)CC1 ZINC001164164634 939423958 /nfs/dbraw/zinc/42/39/58/939423958.db2.gz VTEPMJWMRABOAA-NSHDSACASA-N 1 2 256.309 1.327 20 30 CDEDLO C#CC[NH2+]CC1(CCNC(=O)c2cncc3nc[nH]c32)CC1 ZINC001164604380 939498135 /nfs/dbraw/zinc/49/81/35/939498135.db2.gz INEBRGVKYAQSLR-UHFFFAOYSA-N 1 2 297.362 1.081 20 30 CDEDLO Cc1nc(-c2ccncc2)cc(N2CC[NH2+]C[C@H]2C#N)n1 ZINC001164662311 939502909 /nfs/dbraw/zinc/50/29/09/939502909.db2.gz WHWWSKJMZJALPU-CYBMUJFWSA-N 1 2 280.335 1.149 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2C#N)CCCO1 ZINC001204372708 939762083 /nfs/dbraw/zinc/76/20/83/939762083.db2.gz GRTJCFMPABUQQN-AWEZNQCLSA-N 1 2 274.320 1.322 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2C#N)CCCO1 ZINC001204372708 939762084 /nfs/dbraw/zinc/76/20/84/939762084.db2.gz GRTJCFMPABUQQN-AWEZNQCLSA-N 1 2 274.320 1.322 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@](N)(C(F)(F)F)C2)c1 ZINC001206243262 940005018 /nfs/dbraw/zinc/00/50/18/940005018.db2.gz BTAADYBLLHCGRO-LBPRGKRZSA-N 1 2 285.269 1.729 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@](N)(C(F)(F)F)C2)c1 ZINC001206243262 940005020 /nfs/dbraw/zinc/00/50/20/940005020.db2.gz BTAADYBLLHCGRO-LBPRGKRZSA-N 1 2 285.269 1.729 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ncccn2)C[C@H]1C ZINC001206536924 940056349 /nfs/dbraw/zinc/05/63/49/940056349.db2.gz FMGJVWRCPUXJAP-MGPQQGTHSA-N 1 2 288.395 1.940 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ncccn2)C[C@H]1C ZINC001206536924 940056352 /nfs/dbraw/zinc/05/63/52/940056352.db2.gz FMGJVWRCPUXJAP-MGPQQGTHSA-N 1 2 288.395 1.940 20 30 CDEDLO C[C@H](c1ncccn1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C#CC2CC2)C1 ZINC001206951833 940116403 /nfs/dbraw/zinc/11/64/03/940116403.db2.gz LBJLDHCFYIQLFS-UMVBOHGHSA-N 1 2 298.390 1.388 20 30 CDEDLO C[C@H](c1ncccn1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC2CC2)C1 ZINC001206951833 940116405 /nfs/dbraw/zinc/11/64/05/940116405.db2.gz LBJLDHCFYIQLFS-UMVBOHGHSA-N 1 2 298.390 1.388 20 30 CDEDLO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001207022186 940130305 /nfs/dbraw/zinc/13/03/05/940130305.db2.gz GQDCERFGOSLGJM-HLTSFMKQSA-N 1 2 268.254 1.509 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001207022186 940130306 /nfs/dbraw/zinc/13/03/06/940130306.db2.gz GQDCERFGOSLGJM-HLTSFMKQSA-N 1 2 268.254 1.509 20 30 CDEDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC001207109453 940151459 /nfs/dbraw/zinc/15/14/59/940151459.db2.gz ZJEKSJULEMVVGG-DYEKYZERSA-N 1 2 273.336 1.423 20 30 CDEDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1cc(C#N)n(C)c1 ZINC001207109453 940151460 /nfs/dbraw/zinc/15/14/60/940151460.db2.gz ZJEKSJULEMVVGG-DYEKYZERSA-N 1 2 273.336 1.423 20 30 CDEDLO C=CCN(CC[N@@H+](C)CC(=O)NCC)C(=O)OC(C)(C)C ZINC001207198708 940165860 /nfs/dbraw/zinc/16/58/60/940165860.db2.gz ISIVHMZUYSZVTE-UHFFFAOYSA-N 1 2 299.415 1.477 20 30 CDEDLO C=CCN(CC[N@H+](C)CC(=O)NCC)C(=O)OC(C)(C)C ZINC001207198708 940165862 /nfs/dbraw/zinc/16/58/62/940165862.db2.gz ISIVHMZUYSZVTE-UHFFFAOYSA-N 1 2 299.415 1.477 20 30 CDEDLO Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)C#CC(C)C)C2)o1 ZINC001207995723 940275364 /nfs/dbraw/zinc/27/53/64/940275364.db2.gz OKGZDOFMJYIZPQ-ZDUSSCGKSA-N 1 2 290.367 1.118 20 30 CDEDLO C[C@H](C[NH+]1CCN(c2nccnc2C#N)CC1)C(F)(F)F ZINC001208904323 940404290 /nfs/dbraw/zinc/40/42/90/940404290.db2.gz DOXIPDIFOZBDTE-SNVBAGLBSA-N 1 2 299.300 1.669 20 30 CDEDLO C=CCN(CC[N@H+](CC)CCC#N)C(=O)OCC ZINC001209022413 940425151 /nfs/dbraw/zinc/42/51/51/940425151.db2.gz YLBVXRMPPRIRIL-UHFFFAOYSA-N 1 2 253.346 1.866 20 30 CDEDLO C=CCN(CC[N@@H+](CC)CCC#N)C(=O)OCC ZINC001209022413 940425153 /nfs/dbraw/zinc/42/51/53/940425153.db2.gz YLBVXRMPPRIRIL-UHFFFAOYSA-N 1 2 253.346 1.866 20 30 CDEDLO C#CCCC[N@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001209264123 940453948 /nfs/dbraw/zinc/45/39/48/940453948.db2.gz WHURMNSQXOJUJI-ZDUSSCGKSA-N 1 2 262.357 1.257 20 30 CDEDLO C#CCCC[N@@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001209264123 940453950 /nfs/dbraw/zinc/45/39/50/940453950.db2.gz WHURMNSQXOJUJI-ZDUSSCGKSA-N 1 2 262.357 1.257 20 30 CDEDLO Cc1cc([NH+]=C(NO)c2ccccc2N)cnc1C#N ZINC001210209454 940671940 /nfs/dbraw/zinc/67/19/40/940671940.db2.gz TUJZXVUVLQYRFU-UHFFFAOYSA-N 1 2 267.292 1.901 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CC)CCCCC2)[C@H](OC)C1 ZINC001213908621 940788176 /nfs/dbraw/zinc/78/81/76/940788176.db2.gz OLJCFIYGKDWLJI-HUUCEWRRSA-N 1 2 292.423 1.796 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CC)CCCCC2)[C@H](OC)C1 ZINC001213908621 940788179 /nfs/dbraw/zinc/78/81/79/940788179.db2.gz OLJCFIYGKDWLJI-HUUCEWRRSA-N 1 2 292.423 1.796 20 30 CDEDLO C=CCC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001214672109 940835910 /nfs/dbraw/zinc/83/59/10/940835910.db2.gz FLLAPGLLVPANGO-OPRDCNLKSA-N 1 2 282.281 1.899 20 30 CDEDLO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C ZINC001214672109 940835913 /nfs/dbraw/zinc/83/59/13/940835913.db2.gz FLLAPGLLVPANGO-OPRDCNLKSA-N 1 2 282.281 1.899 20 30 CDEDLO CCCCCCCCNC(=O)NC[C@@H]([NH3+])C(=O)OCC ZINC001239245475 945363166 /nfs/dbraw/zinc/36/31/66/945363166.db2.gz XSBFNQMWRHORDG-GFCCVEGCSA-N 1 2 287.404 1.537 20 30 CDEDLO C[C@H]([NH3+])c1ncc(C(=O)Nc2nc[nH]c2C#N)s1 ZINC001218595405 941243612 /nfs/dbraw/zinc/24/36/12/941243612.db2.gz NCBLQOQKGNKQCD-YFKPBYRVSA-N 1 2 262.298 1.010 20 30 CDEDLO N#Cc1ccc(NC(=O)c2ccc([C@@H]([NH3+])CN)cc2)c(O)c1 ZINC001218992109 941299007 /nfs/dbraw/zinc/29/90/07/941299007.db2.gz FVCLRYXQRYLJCI-ZDUSSCGKSA-N 1 2 296.330 1.475 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)COC)[C@@H]2C1 ZINC001221440183 941535270 /nfs/dbraw/zinc/53/52/70/941535270.db2.gz STNFXMXMKXUUPT-CYZMBNFOSA-N 1 2 286.803 1.554 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)COC)[C@@H]2C1 ZINC001221440183 941535277 /nfs/dbraw/zinc/53/52/77/941535277.db2.gz STNFXMXMKXUUPT-CYZMBNFOSA-N 1 2 286.803 1.554 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)OCc1ccc(C#N)s1 ZINC001223285946 941667664 /nfs/dbraw/zinc/66/76/64/941667664.db2.gz IBOFJBOUYUPDJQ-LLVKDONJSA-N 1 2 266.366 1.857 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cnc(Cl)c(F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225791204 941913456 /nfs/dbraw/zinc/91/34/56/941913456.db2.gz VAYFAHYAZRVNNC-PDTZJJQMSA-N 1 2 284.718 1.865 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cnc(Cl)c(F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225791204 941913459 /nfs/dbraw/zinc/91/34/59/941913459.db2.gz VAYFAHYAZRVNNC-PDTZJJQMSA-N 1 2 284.718 1.865 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Oc1ncnc2ccc(C#N)cc21 ZINC001229104434 942419659 /nfs/dbraw/zinc/41/96/59/942419659.db2.gz RTWCEQJZVMFEIU-LBPRGKRZSA-N 1 2 298.346 1.601 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)OCC(C)C ZINC001230975458 942747320 /nfs/dbraw/zinc/74/73/20/942747320.db2.gz GQLCISUZFPLLCG-KGLIPLIRSA-N 1 2 266.385 1.213 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)OCC(C)C ZINC001230975458 942747323 /nfs/dbraw/zinc/74/73/23/942747323.db2.gz GQLCISUZFPLLCG-KGLIPLIRSA-N 1 2 266.385 1.213 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N[C@@H](C)CC ZINC001231121690 942792835 /nfs/dbraw/zinc/79/28/35/942792835.db2.gz GROIABJVHLVIKI-KBPBESRZSA-N 1 2 295.427 1.400 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N[C@@H](C)CC ZINC001231121690 942792837 /nfs/dbraw/zinc/79/28/37/942792837.db2.gz GROIABJVHLVIKI-KBPBESRZSA-N 1 2 295.427 1.400 20 30 CDEDLO Cc1ncc(C[N@H+]2CC[C@@H]2CN(C)C(=O)[C@H](C)C#N)s1 ZINC001231248086 942834168 /nfs/dbraw/zinc/83/41/68/942834168.db2.gz UJZVADCGMVBQBC-ZYHUDNBSSA-N 1 2 292.408 1.644 20 30 CDEDLO Cc1ncc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)[C@H](C)C#N)s1 ZINC001231248086 942834177 /nfs/dbraw/zinc/83/41/77/942834177.db2.gz UJZVADCGMVBQBC-ZYHUDNBSSA-N 1 2 292.408 1.644 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC=CC1 ZINC001231342988 942860504 /nfs/dbraw/zinc/86/05/04/942860504.db2.gz RMEWSGHWPOGISG-HNNXBMFYSA-N 1 2 276.380 1.135 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1CC=CC1 ZINC001231342988 942860506 /nfs/dbraw/zinc/86/05/06/942860506.db2.gz RMEWSGHWPOGISG-HNNXBMFYSA-N 1 2 276.380 1.135 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCCN(Cc2c[nH+]c(C)[nH]2)C1 ZINC001232468495 943288655 /nfs/dbraw/zinc/28/86/55/943288655.db2.gz NXCIKMMLBLDBMS-LBPRGKRZSA-N 1 2 278.356 1.595 20 30 CDEDLO Cc1nc(CC[N@@H+](C)Cc2cc(C#N)ccc2O)no1 ZINC001232675667 943356319 /nfs/dbraw/zinc/35/63/19/943356319.db2.gz SRSAJLXCZAIOOJ-UHFFFAOYSA-N 1 2 272.308 1.630 20 30 CDEDLO Cc1nc(CC[N@H+](C)Cc2cc(C#N)ccc2O)no1 ZINC001232675667 943356321 /nfs/dbraw/zinc/35/63/21/943356321.db2.gz SRSAJLXCZAIOOJ-UHFFFAOYSA-N 1 2 272.308 1.630 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232678462 943360146 /nfs/dbraw/zinc/36/01/46/943360146.db2.gz ABFPKHRQNKAMGF-UHFFFAOYSA-N 1 2 270.336 1.295 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@H+]1CC(=O)N2CCC[C@H]2C1 ZINC001233082718 943488663 /nfs/dbraw/zinc/48/86/63/943488663.db2.gz VEQMHWRLPZMLEQ-HNNXBMFYSA-N 1 2 269.348 1.673 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@@H+]1CC(=O)N2CCC[C@H]2C1 ZINC001233082718 943488666 /nfs/dbraw/zinc/48/86/66/943488666.db2.gz VEQMHWRLPZMLEQ-HNNXBMFYSA-N 1 2 269.348 1.673 20 30 CDEDLO Cc1cc(C[NH+]2CCN(CCC#N)CC2)cnc1C ZINC001233163767 943502966 /nfs/dbraw/zinc/50/29/66/943502966.db2.gz LBXJMGIVNHMWRZ-UHFFFAOYSA-N 1 2 258.369 1.730 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2ccc3cc(C#N)[nH]c3c2)C1 ZINC001233994228 943709104 /nfs/dbraw/zinc/70/91/04/943709104.db2.gz NNDIQHZSEIDKLH-CQSZACIVSA-N 1 2 271.320 1.749 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2ccc3cc(C#N)[nH]c3c2)C1 ZINC001233994228 943709106 /nfs/dbraw/zinc/70/91/06/943709106.db2.gz NNDIQHZSEIDKLH-CQSZACIVSA-N 1 2 271.320 1.749 20 30 CDEDLO C[C@@H](C[NH+](C)C)Oc1[nH]c(=O)nc2cccc(C#N)c21 ZINC001234511498 943873688 /nfs/dbraw/zinc/87/36/88/943873688.db2.gz QNFLTNHXIUDYHP-VIFPVBQESA-N 1 2 272.308 1.536 20 30 CDEDLO C=CCCO[C@H](C)C(=O)OCCCc1c[nH+]cn1C ZINC001263510216 943883114 /nfs/dbraw/zinc/88/31/14/943883114.db2.gz VLSRHMQPYQDMLK-GFCCVEGCSA-N 1 2 266.341 1.877 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001234614514 943916765 /nfs/dbraw/zinc/91/67/65/943916765.db2.gz SXMYHILQNYRCSQ-OLZOCXBDSA-N 1 2 281.400 1.010 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001234614514 943916770 /nfs/dbraw/zinc/91/67/70/943916770.db2.gz SXMYHILQNYRCSQ-OLZOCXBDSA-N 1 2 281.400 1.010 20 30 CDEDLO COC(=O)c1cc(C[NH+]2CC(CC#N)C2)ccc1OC ZINC001234950977 943984322 /nfs/dbraw/zinc/98/43/22/943984322.db2.gz CEDXRXULAMYUCI-UHFFFAOYSA-N 1 2 274.320 1.827 20 30 CDEDLO N#CCC[N@H+]1CC[C@H]2CN(C(=O)Nc3cccnc3)C[C@H]21 ZINC001277940973 944139353 /nfs/dbraw/zinc/13/93/53/944139353.db2.gz ILKDQGNNIDTUEP-GXTWGEPZSA-N 1 2 285.351 1.533 20 30 CDEDLO N#CCC[N@@H+]1CC[C@H]2CN(C(=O)Nc3cccnc3)C[C@H]21 ZINC001277940973 944139359 /nfs/dbraw/zinc/13/93/59/944139359.db2.gz ILKDQGNNIDTUEP-GXTWGEPZSA-N 1 2 285.351 1.533 20 30 CDEDLO N#CCC[N@H+]1CCCC2(CN(C(=O)Nc3cccnc3)C2)C1 ZINC001277941320 944139545 /nfs/dbraw/zinc/13/95/45/944139545.db2.gz MHBXOTKXXBXPME-UHFFFAOYSA-N 1 2 299.378 1.925 20 30 CDEDLO N#CCC[N@@H+]1CCCC2(CN(C(=O)Nc3cccnc3)C2)C1 ZINC001277941320 944139548 /nfs/dbraw/zinc/13/95/48/944139548.db2.gz MHBXOTKXXBXPME-UHFFFAOYSA-N 1 2 299.378 1.925 20 30 CDEDLO Cc1cc(CN2C[C@H]3C[C@@H](C2)[N@H+]3CCCC#N)n(C)n1 ZINC001277944864 944153492 /nfs/dbraw/zinc/15/34/92/944153492.db2.gz CQKGMYLZFZMQJU-GASCZTMLSA-N 1 2 273.384 1.291 20 30 CDEDLO Cc1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+]3CCCC#N)n(C)n1 ZINC001277944864 944153494 /nfs/dbraw/zinc/15/34/94/944153494.db2.gz CQKGMYLZFZMQJU-GASCZTMLSA-N 1 2 273.384 1.291 20 30 CDEDLO CS(=O)(=O)C1CC[NH+](Cc2ccccc2CC#N)CC1 ZINC001235523223 944185880 /nfs/dbraw/zinc/18/58/80/944185880.db2.gz NWCKSYSBHHWSAG-UHFFFAOYSA-N 1 2 292.404 1.762 20 30 CDEDLO Cc1nc(C)c(C[NH+]2CCN(c3nccnc3C#N)CC2)o1 ZINC001236592284 944521391 /nfs/dbraw/zinc/52/13/91/944521391.db2.gz VRCCIWZMFLVROT-UHFFFAOYSA-N 1 2 298.350 1.275 20 30 CDEDLO N#C[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccccc1 ZINC000394037057 944676329 /nfs/dbraw/zinc/67/63/29/944676329.db2.gz MUZQXVXUYBFCFU-CYBMUJFWSA-N 1 2 254.293 1.654 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc3ccccn3n2)CC1 ZINC001237446324 944783783 /nfs/dbraw/zinc/78/37/83/944783783.db2.gz BHCOWRJPQDQURB-UHFFFAOYSA-N 1 2 254.337 1.085 20 30 CDEDLO N#CCCN1CC[NH+](Cc2ccn3nccc3c2)CC1 ZINC001237541613 944831388 /nfs/dbraw/zinc/83/13/88/944831388.db2.gz ZUEVGUHNBDXNCQ-UHFFFAOYSA-N 1 2 269.352 1.366 20 30 CDEDLO Cc1ccc(NS(=O)(=O)CC2CC[NH2+]CC2)c(C#N)c1 ZINC001237604932 944874343 /nfs/dbraw/zinc/87/43/43/944874343.db2.gz OOEOZLPPICCLKQ-UHFFFAOYSA-N 1 2 293.392 1.608 20 30 CDEDLO CCCCCCCNC(=O)N1CC[NH2+]C[C@H]1C(=O)OC ZINC001239292195 945400156 /nfs/dbraw/zinc/40/01/56/945400156.db2.gz ZPJVQLHZEUVFPP-LBPRGKRZSA-N 1 2 285.388 1.113 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)[C@H](C#N)CCc1ccccc1 ZINC001362347261 971177307 /nfs/dbraw/zinc/17/73/07/971177307.db2.gz MUJDCKLWHRWNOO-HNNXBMFYSA-N 1 2 296.374 1.851 20 30 CDEDLO N#Cc1ccnnc1-c1cccc(C[NH+]2CCOCC2)c1 ZINC001241814565 946481336 /nfs/dbraw/zinc/48/13/36/946481336.db2.gz QPWFJSCOUHBYQU-UHFFFAOYSA-N 1 2 280.331 1.847 20 30 CDEDLO Cc1cc(N)[nH+]cc1-c1nc2c(cc1C#N)COCC2 ZINC001242078066 946593653 /nfs/dbraw/zinc/59/36/53/946593653.db2.gz QTIAAHLJYGNMKC-UHFFFAOYSA-N 1 2 266.304 1.979 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@@H]2CN(S(C)(=O)=O)C[C@@H]21 ZINC001255170726 947764248 /nfs/dbraw/zinc/76/42/48/947764248.db2.gz WXKJMWHKFRPTRN-UPJWGTAASA-N 1 2 285.413 1.034 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CCC[C@@H]2CN(S(C)(=O)=O)C[C@@H]21 ZINC001255170726 947764253 /nfs/dbraw/zinc/76/42/53/947764253.db2.gz WXKJMWHKFRPTRN-UPJWGTAASA-N 1 2 285.413 1.034 20 30 CDEDLO COc1ncnc(Nc2cc[nH+]cc2C(F)(F)F)c1C#N ZINC001249586575 949686134 /nfs/dbraw/zinc/68/61/34/949686134.db2.gz GXTCNFVFXQLJCS-UHFFFAOYSA-N 1 2 295.224 1.936 20 30 CDEDLO Cc1sc(NC[C@@H](O)C[NH+]2CCOCC2)c(C#N)c1C ZINC001251003684 950551803 /nfs/dbraw/zinc/55/18/03/950551803.db2.gz ODAYAEIQNIKXNH-GFCCVEGCSA-N 1 2 295.408 1.342 20 30 CDEDLO C=CCOC[C@H](O)C[NH2+][C@@H](CC1CCCCC1)C(=O)OC ZINC001252488094 951352730 /nfs/dbraw/zinc/35/27/30/951352730.db2.gz FSIJFQIERCMUKS-CABCVRRESA-N 1 2 299.411 1.652 20 30 CDEDLO C=C[C@](C)(O)C[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC001252571909 951464103 /nfs/dbraw/zinc/46/41/03/951464103.db2.gz LGIHPSMLRVRRNR-RISCZKNCSA-N 1 2 257.374 1.879 20 30 CDEDLO C=CCCCCCC[C@H](O)C[N@@H+]1CCNC(=O)C1 ZINC001253227326 951820535 /nfs/dbraw/zinc/82/05/35/951820535.db2.gz GURYJWJMLKMIIY-ZDUSSCGKSA-N 1 2 254.374 1.306 20 30 CDEDLO C=CCCCCCC[C@H](O)C[N@H+]1CCNC(=O)C1 ZINC001253227326 951820543 /nfs/dbraw/zinc/82/05/43/951820543.db2.gz GURYJWJMLKMIIY-ZDUSSCGKSA-N 1 2 254.374 1.306 20 30 CDEDLO C=C[C@H](O)C[N@@H+]1CCc2ncc(Br)cc2C1 ZINC001253579184 951967778 /nfs/dbraw/zinc/96/77/78/951967778.db2.gz NLFDKEBQMWZYLC-NSHDSACASA-N 1 2 283.169 1.749 20 30 CDEDLO C=C[C@H](O)C[N@H+]1CCc2ncc(Br)cc2C1 ZINC001253579184 951967781 /nfs/dbraw/zinc/96/77/81/951967781.db2.gz NLFDKEBQMWZYLC-NSHDSACASA-N 1 2 283.169 1.749 20 30 CDEDLO CCOC(=O)c1cc(C[NH2+][C@H](CC)CC#N)[nH]n1 ZINC001326302269 954309398 /nfs/dbraw/zinc/30/93/98/954309398.db2.gz FJVKJFGYVSIPPF-SECBINFHSA-N 1 2 250.302 1.368 20 30 CDEDLO C=CCCC(=O)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001326815745 954566300 /nfs/dbraw/zinc/56/63/00/954566300.db2.gz BEKXDGVMIUMIMO-UHFFFAOYSA-N 1 2 289.383 1.054 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1coc(OCC)n1 ZINC001366550684 956951252 /nfs/dbraw/zinc/95/12/52/956951252.db2.gz PGKMGLBYKXKPHE-UHFFFAOYSA-N 1 2 287.747 1.487 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1coc(OCC)n1 ZINC001366550684 956951259 /nfs/dbraw/zinc/95/12/59/956951259.db2.gz PGKMGLBYKXKPHE-UHFFFAOYSA-N 1 2 287.747 1.487 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@@H]1CCOC1 ZINC001367509739 958083616 /nfs/dbraw/zinc/08/36/16/958083616.db2.gz ZARADNQBCBBXTL-LBPRGKRZSA-N 1 2 274.792 1.556 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@@H]1CCOC1 ZINC001367509739 958083601 /nfs/dbraw/zinc/08/36/01/958083601.db2.gz ZARADNQBCBBXTL-LBPRGKRZSA-N 1 2 274.792 1.556 20 30 CDEDLO C=C(C)Cn1nnnc1N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC001333674276 958501293 /nfs/dbraw/zinc/50/12/93/958501293.db2.gz RRGNSKVWBIDDPN-STQMWFEESA-N 1 2 287.371 1.533 20 30 CDEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1ccc(F)cc1Cl ZINC001319655141 958674562 /nfs/dbraw/zinc/67/45/62/958674562.db2.gz CJKJLPGXXLKQEG-UHFFFAOYSA-N 1 2 298.745 1.999 20 30 CDEDLO C#CCOCC[N@H+](C)CC(=O)Nc1ccc(F)cc1Cl ZINC001319655141 958674571 /nfs/dbraw/zinc/67/45/71/958674571.db2.gz CJKJLPGXXLKQEG-UHFFFAOYSA-N 1 2 298.745 1.999 20 30 CDEDLO N#CCN1CC[NH+](CCc2ccc(F)cc2F)CC1 ZINC001320104103 958940845 /nfs/dbraw/zinc/94/08/45/958940845.db2.gz TZGYCQUTGNFUAF-UHFFFAOYSA-N 1 2 265.307 1.648 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2c(C)cnn2COC)C1=O ZINC001335051032 959549086 /nfs/dbraw/zinc/54/90/86/959549086.db2.gz LBJPMUAGIFSAIS-CYBMUJFWSA-N 1 2 292.383 1.014 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2c(C)cnn2COC)C1=O ZINC001335051032 959549096 /nfs/dbraw/zinc/54/90/96/959549096.db2.gz LBJPMUAGIFSAIS-CYBMUJFWSA-N 1 2 292.383 1.014 20 30 CDEDLO C#CC[N@H+](CC1CC1)CN1C(=O)N[C@](C)(C(C)(C)C)C1=O ZINC001321263992 959685770 /nfs/dbraw/zinc/68/57/70/959685770.db2.gz FRRQYVWVPFLIAB-INIZCTEOSA-N 1 2 291.395 1.646 20 30 CDEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)N[C@](C)(C(C)(C)C)C1=O ZINC001321263992 959685779 /nfs/dbraw/zinc/68/57/79/959685779.db2.gz FRRQYVWVPFLIAB-INIZCTEOSA-N 1 2 291.395 1.646 20 30 CDEDLO C#CC[N@H+](CC1CC1)CN1C(=O)N[C@@](C)(C(C)(C)C)C1=O ZINC001321263993 959686620 /nfs/dbraw/zinc/68/66/20/959686620.db2.gz FRRQYVWVPFLIAB-MRXNPFEDSA-N 1 2 291.395 1.646 20 30 CDEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)N[C@@](C)(C(C)(C)C)C1=O ZINC001321263993 959686631 /nfs/dbraw/zinc/68/66/31/959686631.db2.gz FRRQYVWVPFLIAB-MRXNPFEDSA-N 1 2 291.395 1.646 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cn1cc(C)cn1)C1CC1 ZINC001418737804 960959695 /nfs/dbraw/zinc/95/96/95/960959695.db2.gz KLIOMTFFQBSHJN-UHFFFAOYSA-N 1 2 296.802 1.525 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)Cn1cc(C)cn1)C1CC1 ZINC001418737804 960959701 /nfs/dbraw/zinc/95/97/01/960959701.db2.gz KLIOMTFFQBSHJN-UHFFFAOYSA-N 1 2 296.802 1.525 20 30 CDEDLO C=C[C@H](O)C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001337327709 961114839 /nfs/dbraw/zinc/11/48/39/961114839.db2.gz DPGRVJWPACUIAI-OLZOCXBDSA-N 1 2 280.755 1.360 20 30 CDEDLO Cc1nc(C[NH+]2CC(CNC(=O)[C@H](C)C#N)C2)c(C)s1 ZINC001419009942 961257649 /nfs/dbraw/zinc/25/76/49/961257649.db2.gz IABVBRFBLLYNRP-SECBINFHSA-N 1 2 292.408 1.468 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)Cc2cc(C)on2)C1 ZINC001419009640 961258720 /nfs/dbraw/zinc/25/87/20/961258720.db2.gz GNQZAZJRCZOEIM-UHFFFAOYSA-N 1 2 283.759 1.326 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)COC ZINC001420602270 963109669 /nfs/dbraw/zinc/10/96/69/963109669.db2.gz SPAPKWBQLAALBL-LLVKDONJSA-N 1 2 276.808 1.848 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)COC ZINC001420602270 963109682 /nfs/dbraw/zinc/10/96/82/963109682.db2.gz SPAPKWBQLAALBL-LLVKDONJSA-N 1 2 276.808 1.848 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)COC)C1 ZINC001421274710 963528282 /nfs/dbraw/zinc/52/82/82/963528282.db2.gz RNUDGNZAWHODHA-LLVKDONJSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)COC)C1 ZINC001421274710 963528283 /nfs/dbraw/zinc/52/82/83/963528283.db2.gz RNUDGNZAWHODHA-LLVKDONJSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CC(C)(C)O)C1 ZINC001421334314 963557215 /nfs/dbraw/zinc/55/72/15/963557215.db2.gz HRZSIZGRCRBEIZ-GFCCVEGCSA-N 1 2 288.819 1.823 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC(C)(C)O)C1 ZINC001421334314 963557219 /nfs/dbraw/zinc/55/72/19/963557219.db2.gz HRZSIZGRCRBEIZ-GFCCVEGCSA-N 1 2 288.819 1.823 20 30 CDEDLO C#C[C@H](C)N(C)c1nnc(Cc2[nH+]ccn2C)n1CC(=C)C ZINC001342541925 963761049 /nfs/dbraw/zinc/76/10/49/963761049.db2.gz MVIFVNAQDVZFCZ-ZDUSSCGKSA-N 1 2 298.394 1.636 20 30 CDEDLO CC(C)(CC#N)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001556957484 965124228 /nfs/dbraw/zinc/12/42/28/965124228.db2.gz CIYLAQKTTWJYKN-LLVKDONJSA-N 1 2 260.341 1.502 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@]1(C)CCOC1)C1CC1 ZINC001443044112 965334216 /nfs/dbraw/zinc/33/42/16/965334216.db2.gz VHJHESXVKUZNQG-CQSZACIVSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@]1(C)CCOC1)C1CC1 ZINC001443044112 965334226 /nfs/dbraw/zinc/33/42/26/965334226.db2.gz VHJHESXVKUZNQG-CQSZACIVSA-N 1 2 286.803 1.746 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)C(=O)NCc1c[nH+]c(C)cc1C ZINC001348705391 966140618 /nfs/dbraw/zinc/14/06/18/966140618.db2.gz ORXBPUDWDHQXIA-CQSZACIVSA-N 1 2 289.379 1.786 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001100267461 967825915 /nfs/dbraw/zinc/82/59/15/967825915.db2.gz OBSHKNUZITVDJJ-RYUDHWBXSA-N 1 2 276.384 1.796 20 30 CDEDLO C=CCCC(=O)NCCN(CC)c1cc[nH+]c(C)n1 ZINC001100464336 968421184 /nfs/dbraw/zinc/42/11/84/968421184.db2.gz STALJGZSGVZLTA-UHFFFAOYSA-N 1 2 262.357 1.694 20 30 CDEDLO C=CCO[C@H](C)C(=O)NCCN(CC)c1cc[nH+]c(C)n1 ZINC001100552085 968693056 /nfs/dbraw/zinc/69/30/56/968693056.db2.gz HLRKYACQTJQVFY-GFCCVEGCSA-N 1 2 292.383 1.319 20 30 CDEDLO C#CCN(CC)c1nnc(Cc2[nH+]ccn2C)n1CC1CC1 ZINC001527811160 968735534 /nfs/dbraw/zinc/73/55/34/968735534.db2.gz WOHISZRIVZQXBQ-UHFFFAOYSA-N 1 2 298.394 1.472 20 30 CDEDLO C#CCN(CC)c1nnc([C@@H]2CCCC[N@@H+]2C)n1C ZINC001355670882 969241517 /nfs/dbraw/zinc/24/15/17/969241517.db2.gz DGLOTSQMULZPLP-LBPRGKRZSA-N 1 2 261.373 1.431 20 30 CDEDLO C#CCN(CC)c1nnc([C@@H]2CCCC[N@H+]2C)n1C ZINC001355670882 969241522 /nfs/dbraw/zinc/24/15/22/969241522.db2.gz DGLOTSQMULZPLP-LBPRGKRZSA-N 1 2 261.373 1.431 20 30 CDEDLO N#Cc1cccc([C@H](O)CN2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC001460045471 969470910 /nfs/dbraw/zinc/47/09/10/969470910.db2.gz DWQJTBOOAZRDFX-OAHLLOKOSA-N 1 2 297.362 1.137 20 30 CDEDLO Cc1ccc(C#N)cc1C(=O)NCCn1cc[nH+]c1 ZINC001464129229 969771950 /nfs/dbraw/zinc/77/19/50/969771950.db2.gz HBEHLEKMLMZPBC-UHFFFAOYSA-N 1 2 254.293 1.493 20 30 CDEDLO C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)C(F)C(F)(F)F ZINC001495668018 972586740 /nfs/dbraw/zinc/58/67/40/972586740.db2.gz LFUXSVSVLCMJLK-SVRRBLITSA-N 1 2 290.688 1.981 20 30 CDEDLO C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H](F)C(F)(F)F ZINC001495668018 972586745 /nfs/dbraw/zinc/58/67/45/972586745.db2.gz LFUXSVSVLCMJLK-SVRRBLITSA-N 1 2 290.688 1.981 20 30 CDEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)C2CC2)CC1 ZINC001373248568 973326808 /nfs/dbraw/zinc/32/68/08/973326808.db2.gz YYAKMRJHVGEEHS-UHFFFAOYSA-N 1 2 285.819 1.225 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@@](C)(O)C2CC2)C1 ZINC001373504345 973470550 /nfs/dbraw/zinc/47/05/50/973470550.db2.gz VFZPFMGHYNKGBL-CQSZACIVSA-N 1 2 286.803 1.338 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccc(F)cn1 ZINC001418457673 973862734 /nfs/dbraw/zinc/86/27/34/973862734.db2.gz SIHRWXPLXYJRRK-UHFFFAOYSA-N 1 2 271.723 1.635 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccc(F)cn1 ZINC001418457673 973862742 /nfs/dbraw/zinc/86/27/42/973862742.db2.gz SIHRWXPLXYJRRK-UHFFFAOYSA-N 1 2 271.723 1.635 20 30 CDEDLO CC[N@H+](CCNC(=O)[C@@H](C)C#N)[C@H](C)c1ncc(C)o1 ZINC001377291838 974961844 /nfs/dbraw/zinc/96/18/44/974961844.db2.gz LLZYSPZJGDBKSL-CMPLNLGQSA-N 1 2 278.356 1.642 20 30 CDEDLO CC[N@@H+](CCNC(=O)[C@@H](C)C#N)[C@H](C)c1ncc(C)o1 ZINC001377291838 974961850 /nfs/dbraw/zinc/96/18/50/974961850.db2.gz LLZYSPZJGDBKSL-CMPLNLGQSA-N 1 2 278.356 1.642 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C(C)(C)COC)C1 ZINC001378536984 975383439 /nfs/dbraw/zinc/38/34/39/975383439.db2.gz PAJCMZWXKYQXJW-LLVKDONJSA-N 1 2 288.819 1.848 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)COCC1CC1 ZINC001406063501 975995151 /nfs/dbraw/zinc/99/51/51/975995151.db2.gz HCALHJOMDULFCQ-UHFFFAOYSA-N 1 2 274.792 1.556 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)COCC1CC1 ZINC001406063501 975995161 /nfs/dbraw/zinc/99/51/61/975995161.db2.gz HCALHJOMDULFCQ-UHFFFAOYSA-N 1 2 274.792 1.556 20 30 CDEDLO CC(C)c1ocnc1C[NH2+]C1(CNC(=O)[C@@H](C)C#N)CC1 ZINC001401936003 976026924 /nfs/dbraw/zinc/02/69/24/976026924.db2.gz DTWGQCCIGFIRSS-NSHDSACASA-N 1 2 290.367 1.696 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@@H](C)SC)C1 ZINC001400458089 977039318 /nfs/dbraw/zinc/03/93/18/977039318.db2.gz GYDRHJCNWVXIKM-SNVBAGLBSA-N 1 2 276.833 1.929 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001132401589 1163268906 /nfs/dbraw/zinc/26/89/06/1163268906.db2.gz ATEJZFAOGOPLQZ-UHFFFAOYSA-N 1 2 277.368 1.970 20 30 CDEDLO C#CCCCCCC(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001132404309 1163270789 /nfs/dbraw/zinc/27/07/89/1163270789.db2.gz ZTQUXIIZGFCKNN-GFCCVEGCSA-N 1 2 292.383 1.729 20 30 CDEDLO CC#CCCCC(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001132592941 1163394524 /nfs/dbraw/zinc/39/45/24/1163394524.db2.gz JILNIPXBOVDZET-NSHDSACASA-N 1 2 280.397 1.499 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001132667046 1163431673 /nfs/dbraw/zinc/43/16/73/1163431673.db2.gz BPOYFVQOKUFDAH-LLVKDONJSA-N 1 2 266.345 1.186 20 30 CDEDLO C=CCCC(=O)NC[C@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000351544161 361748715 /nfs/dbraw/zinc/74/87/15/361748715.db2.gz JWDLHAORFWULPA-UONOGXRCSA-N 1 2 294.374 1.415 20 30 CDEDLO C=CCCC(=O)NC[C@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000351544161 361748719 /nfs/dbraw/zinc/74/87/19/361748719.db2.gz JWDLHAORFWULPA-UONOGXRCSA-N 1 2 294.374 1.415 20 30 CDEDLO CC(C#N)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000351576815 361771586 /nfs/dbraw/zinc/77/15/86/361771586.db2.gz YQCGHJYAEAICCI-AWEZNQCLSA-N 1 2 296.374 1.821 20 30 CDEDLO C[C@@H](C#N)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000351576815 361771592 /nfs/dbraw/zinc/77/15/92/361771592.db2.gz YQCGHJYAEAICCI-AWEZNQCLSA-N 1 2 296.374 1.821 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000590629544 342580220 /nfs/dbraw/zinc/58/02/20/342580220.db2.gz FRFNHEOMZDQRCK-UHFFFAOYSA-N 1 2 282.303 1.493 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927192 342574583 /nfs/dbraw/zinc/57/45/83/342574583.db2.gz CPMNXEIABLEOHE-CYBMUJFWSA-N 1 2 251.330 1.597 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927192 342574584 /nfs/dbraw/zinc/57/45/84/342574584.db2.gz CPMNXEIABLEOHE-CYBMUJFWSA-N 1 2 251.330 1.597 20 30 CDEDLO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCS1(=O)=O ZINC000329693127 361813222 /nfs/dbraw/zinc/81/32/22/361813222.db2.gz WQQLXCNUTYZVAZ-VXGBXAGGSA-N 1 2 288.413 1.395 20 30 CDEDLO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCS1(=O)=O ZINC000329693127 361813226 /nfs/dbraw/zinc/81/32/26/361813226.db2.gz WQQLXCNUTYZVAZ-VXGBXAGGSA-N 1 2 288.413 1.395 20 30 CDEDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)C[C@@H](C)C#N ZINC000198419124 342057733 /nfs/dbraw/zinc/05/77/33/342057733.db2.gz PHORSSMZZUNJBN-LBPRGKRZSA-N 1 2 277.343 1.923 20 30 CDEDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)C[C@@H](C)C#N ZINC000198419124 342057734 /nfs/dbraw/zinc/05/77/34/342057734.db2.gz PHORSSMZZUNJBN-LBPRGKRZSA-N 1 2 277.343 1.923 20 30 CDEDLO N#CC1(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCCC1 ZINC000070811181 342086561 /nfs/dbraw/zinc/08/65/61/342086561.db2.gz MVROMZVFEMPZCZ-CQSZACIVSA-N 1 2 291.395 1.394 20 30 CDEDLO Cc1cccc2[nH+]c(CCNC(=O)NCCCC#N)cn21 ZINC000591964528 342660469 /nfs/dbraw/zinc/66/04/69/342660469.db2.gz DDVZROLPTOEGTC-UHFFFAOYSA-N 1 2 285.351 1.788 20 30 CDEDLO COC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151266 342668953 /nfs/dbraw/zinc/66/89/53/342668953.db2.gz LBWPTOHWMWYBQY-ZFWWWQNUSA-N 1 2 274.320 1.251 20 30 CDEDLO COC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151266 342668954 /nfs/dbraw/zinc/66/89/54/342668954.db2.gz LBWPTOHWMWYBQY-ZFWWWQNUSA-N 1 2 274.320 1.251 20 30 CDEDLO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592152123 342669284 /nfs/dbraw/zinc/66/92/84/342669284.db2.gz UFVILNXDBRFCIL-ZWNOBZJWSA-N 1 2 254.330 1.067 20 30 CDEDLO C[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592152123 342669285 /nfs/dbraw/zinc/66/92/85/342669285.db2.gz UFVILNXDBRFCIL-ZWNOBZJWSA-N 1 2 254.330 1.067 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000592997419 342752439 /nfs/dbraw/zinc/75/24/39/342752439.db2.gz ABPXXZNPAOFVPN-LBPRGKRZSA-N 1 2 281.319 1.228 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(Cl)cn1 ZINC000593154644 342774292 /nfs/dbraw/zinc/77/42/92/342774292.db2.gz PMAMLJZICHWTAJ-LBPRGKRZSA-N 1 2 266.732 1.309 20 30 CDEDLO CC(C)(C)n1nnc(C[NH2+][C@H]2CCC[C@H](C#N)C2)n1 ZINC000594509656 342914992 /nfs/dbraw/zinc/91/49/92/342914992.db2.gz JXIXWSXYXHBSOU-QWRGUYRKSA-N 1 2 262.361 1.600 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000191631822 539155614 /nfs/dbraw/zinc/15/56/14/539155614.db2.gz IAFJIBPTSXMEKC-CYBMUJFWSA-N 1 2 291.370 1.638 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000191631822 539155615 /nfs/dbraw/zinc/15/56/15/539155615.db2.gz IAFJIBPTSXMEKC-CYBMUJFWSA-N 1 2 291.370 1.638 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000353711934 529487937 /nfs/dbraw/zinc/48/79/37/529487937.db2.gz OLGHIKZBJSCPDM-WFASDCNBSA-N 1 2 295.383 1.022 20 30 CDEDLO Cn1ncc(C2CC2)c1C[NH2+]C[C@@H](C#N)CCC#N ZINC000594728479 342956912 /nfs/dbraw/zinc/95/69/12/342956912.db2.gz OOFGQLAOPRCOCR-LLVKDONJSA-N 1 2 257.341 1.831 20 30 CDEDLO Cn1cnc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000595472505 343073275 /nfs/dbraw/zinc/07/32/75/343073275.db2.gz LWWYZUWIAPUPEY-UHFFFAOYSA-N 1 2 281.363 1.872 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000076185598 342320052 /nfs/dbraw/zinc/32/00/52/342320052.db2.gz OOJKHZLINIOVIZ-CYBMUJFWSA-N 1 2 272.323 1.571 20 30 CDEDLO C[C@@H](C#N)CN(C)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000079060182 342342150 /nfs/dbraw/zinc/34/21/50/342342150.db2.gz UPKYJMZSLLTOAD-LBPRGKRZSA-N 1 2 298.350 1.568 20 30 CDEDLO Cc1ccn2cc(CNC(=O)N(C)C[C@@H](C)C#N)[nH+]c2c1 ZINC000080103924 342350234 /nfs/dbraw/zinc/35/02/34/342350234.db2.gz AOZNZWRUZPEEDV-LBPRGKRZSA-N 1 2 285.351 1.944 20 30 CDEDLO CC[N@H+](CCC#N)Cc1cc(=O)n2cccc(C)c2n1 ZINC000081017930 342363983 /nfs/dbraw/zinc/36/39/83/342363983.db2.gz RDOSZPLHUBITQJ-UHFFFAOYSA-N 1 2 270.336 1.739 20 30 CDEDLO CC[N@@H+](CCC#N)Cc1cc(=O)n2cccc(C)c2n1 ZINC000081017930 342363984 /nfs/dbraw/zinc/36/39/84/342363984.db2.gz RDOSZPLHUBITQJ-UHFFFAOYSA-N 1 2 270.336 1.739 20 30 CDEDLO N#Cc1cnnc(N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000596112488 343230387 /nfs/dbraw/zinc/23/03/87/343230387.db2.gz QVNDKOGIRNQWRO-GFCCVEGCSA-N 1 2 254.297 1.386 20 30 CDEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)C1 ZINC000081358193 342367594 /nfs/dbraw/zinc/36/75/94/342367594.db2.gz JXDVHLFYIJMIRN-STQMWFEESA-N 1 2 293.754 1.351 20 30 CDEDLO C[N@H+]1CCO[C@H](C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)C1 ZINC000081358193 342367595 /nfs/dbraw/zinc/36/75/95/342367595.db2.gz JXDVHLFYIJMIRN-STQMWFEESA-N 1 2 293.754 1.351 20 30 CDEDLO Cc1cc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c(C#N)cn1 ZINC000596434035 343320243 /nfs/dbraw/zinc/32/02/43/343320243.db2.gz WSEOLQAYPVWWLQ-QWHCGFSZSA-N 1 2 274.368 1.205 20 30 CDEDLO Cc1cc(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c(C#N)cn1 ZINC000596434035 343320245 /nfs/dbraw/zinc/32/02/45/343320245.db2.gz WSEOLQAYPVWWLQ-QWHCGFSZSA-N 1 2 274.368 1.205 20 30 CDEDLO Cc1cc(N[C@@H]2CCC[C@@H]([S@](C)=O)C2)c(C#N)c[nH+]1 ZINC000596365478 343305431 /nfs/dbraw/zinc/30/54/31/343305431.db2.gz IZJKIIZKZVNTMU-VPZZIHKRSA-N 1 2 277.393 1.785 20 30 CDEDLO N#CCCCS(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000088777156 342387339 /nfs/dbraw/zinc/38/73/39/342387339.db2.gz IGQLVONRLSNPHG-LLVKDONJSA-N 1 2 282.369 1.223 20 30 CDEDLO COc1cncc(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)c1 ZINC000588963598 342446203 /nfs/dbraw/zinc/44/62/03/342446203.db2.gz APHRTLUVYGXRJQ-MRXNPFEDSA-N 1 2 288.395 1.756 20 30 CDEDLO COCC#CC[N@@H+]1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000645181491 362227222 /nfs/dbraw/zinc/22/72/22/362227222.db2.gz KGBHDNZBVNDMEH-MRXNPFEDSA-N 1 2 286.375 1.069 20 30 CDEDLO COCC#CC[N@H+]1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000645181491 362227227 /nfs/dbraw/zinc/22/72/27/362227227.db2.gz KGBHDNZBVNDMEH-MRXNPFEDSA-N 1 2 286.375 1.069 20 30 CDEDLO COc1cc(C[NH+]2CC(CC#N)C2)cc(OC)c1O ZINC000597203216 343472895 /nfs/dbraw/zinc/47/28/95/343472895.db2.gz IGAYLXGKMZKPTK-UHFFFAOYSA-N 1 2 262.309 1.755 20 30 CDEDLO N#CC1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCSCC1 ZINC000597443600 343538701 /nfs/dbraw/zinc/53/87/01/343538701.db2.gz QWKMLYQCSBLXGS-LLVKDONJSA-N 1 2 290.392 1.351 20 30 CDEDLO N#Cc1ccc(CCNC(=O)CCCn2cc[nH+]c2)cc1 ZINC000597891929 343659743 /nfs/dbraw/zinc/65/97/43/343659743.db2.gz QGQUYMGAMIBQKO-UHFFFAOYSA-N 1 2 282.347 1.894 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccc(C#N)s1 ZINC000598001348 343686231 /nfs/dbraw/zinc/68/62/31/343686231.db2.gz ZLAOYLCHRVFOPZ-MNOVXSKESA-N 1 2 293.392 1.459 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccc(C#N)s1 ZINC000598001348 343686233 /nfs/dbraw/zinc/68/62/33/343686233.db2.gz ZLAOYLCHRVFOPZ-MNOVXSKESA-N 1 2 293.392 1.459 20 30 CDEDLO CC[C@](C)([NH2+]CCOc1ccc(C#N)cc1)C(=O)OC ZINC000265422179 362250811 /nfs/dbraw/zinc/25/08/11/362250811.db2.gz JFBHEZZQJCZJTQ-HNNXBMFYSA-N 1 2 276.336 1.868 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000619717167 349867590 /nfs/dbraw/zinc/86/75/90/349867590.db2.gz FCPSEVXGYWXGMG-CHWSQXEVSA-N 1 2 282.384 1.198 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000619717167 349867592 /nfs/dbraw/zinc/86/75/92/349867592.db2.gz FCPSEVXGYWXGMG-CHWSQXEVSA-N 1 2 282.384 1.198 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCC(=O)OC(C)(C)C ZINC000619719152 349869638 /nfs/dbraw/zinc/86/96/38/349869638.db2.gz XZQYXIAXYCMKEY-JTQLQIEISA-N 1 2 257.330 1.378 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000619719152 349869642 /nfs/dbraw/zinc/86/96/42/349869642.db2.gz XZQYXIAXYCMKEY-JTQLQIEISA-N 1 2 257.330 1.378 20 30 CDEDLO CC[C@@H](C)N1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598620207 343844886 /nfs/dbraw/zinc/84/48/86/343844886.db2.gz JPTPDVLFYVXBAY-KGLIPLIRSA-N 1 2 267.417 1.703 20 30 CDEDLO N#Cc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000598951236 343934157 /nfs/dbraw/zinc/93/41/57/343934157.db2.gz ZLYSTDUZJQLFBG-ZDUSSCGKSA-N 1 2 266.304 1.500 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)CC[NH+](C2CC2)C2CC2)nc1 ZINC000599600207 344099738 /nfs/dbraw/zinc/09/97/38/344099738.db2.gz PULPCZLQHPDSOO-UHFFFAOYSA-N 1 2 291.376 1.354 20 30 CDEDLO COCC[N@H+](CCC#N)C[C@@H](OC)C1CCOCC1 ZINC000602465248 344425933 /nfs/dbraw/zinc/42/59/33/344425933.db2.gz MGECRFBIRGYYLC-CQSZACIVSA-N 1 2 270.373 1.290 20 30 CDEDLO COCC[N@@H+](CCC#N)C[C@@H](OC)C1CCOCC1 ZINC000602465248 344425934 /nfs/dbraw/zinc/42/59/34/344425934.db2.gz MGECRFBIRGYYLC-CQSZACIVSA-N 1 2 270.373 1.290 20 30 CDEDLO C[C@H](C#N)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000602608236 344492019 /nfs/dbraw/zinc/49/20/19/344492019.db2.gz RSKIRYQTHQQCHM-MRVPVSSYSA-N 1 2 287.772 1.237 20 30 CDEDLO COc1ccc(C[NH+]2CC(C)(O)C2)cc1OCCCC#N ZINC000602689498 344533065 /nfs/dbraw/zinc/53/30/65/344533065.db2.gz VMPWJLRUYVVLBQ-UHFFFAOYSA-N 1 2 290.363 1.944 20 30 CDEDLO CCOc1ncnc2c1C[N@H+](CC1(CC#N)CC1)CC2 ZINC000602770639 344575586 /nfs/dbraw/zinc/57/55/86/344575586.db2.gz VXXBXPJCIBGCTO-UHFFFAOYSA-N 1 2 272.352 1.927 20 30 CDEDLO CCOc1ncnc2c1C[N@@H+](CC1(CC#N)CC1)CC2 ZINC000602770639 344575589 /nfs/dbraw/zinc/57/55/89/344575589.db2.gz VXXBXPJCIBGCTO-UHFFFAOYSA-N 1 2 272.352 1.927 20 30 CDEDLO C=CCC[C@H](O)C[NH2+][C@@H](Cc1ccccc1)C(=O)OC ZINC000602887898 344635510 /nfs/dbraw/zinc/63/55/10/344635510.db2.gz WFHMEELLZDRHQP-GJZGRUSLSA-N 1 2 277.364 1.687 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCCCN(C)c1ccccc1 ZINC000602865225 344638512 /nfs/dbraw/zinc/63/85/12/344638512.db2.gz UXUZPSPKHPWKHU-CQSZACIVSA-N 1 2 288.395 1.521 20 30 CDEDLO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@H](C)CC#N)c1C ZINC000602869812 344640684 /nfs/dbraw/zinc/64/06/84/344640684.db2.gz PDBWPYTZLPVGRI-LDYMZIIASA-N 1 2 291.351 1.881 20 30 CDEDLO C#CCNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000050025337 344979042 /nfs/dbraw/zinc/97/90/42/344979042.db2.gz FNWYLSOJUULLPV-UHFFFAOYSA-N 1 2 296.330 1.275 20 30 CDEDLO Cc1cc(C)c(C#N)c(NC[C@@H](C)[NH+]2CCOCC2)n1 ZINC000073588673 345491160 /nfs/dbraw/zinc/49/11/60/345491160.db2.gz AUJVALUUMBYXPO-CYBMUJFWSA-N 1 2 274.368 1.703 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccncc1F ZINC000448999486 362614289 /nfs/dbraw/zinc/61/42/89/362614289.db2.gz YIZSQGNTNZEUMU-UHFFFAOYSA-N 1 2 292.358 1.269 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccncc2F)C1=O ZINC000449301894 362643632 /nfs/dbraw/zinc/64/36/32/362643632.db2.gz IOYJDBCTWQJEGS-ZDUSSCGKSA-N 1 2 263.316 1.439 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccncc2F)C1=O ZINC000449301894 362643642 /nfs/dbraw/zinc/64/36/42/362643642.db2.gz IOYJDBCTWQJEGS-ZDUSSCGKSA-N 1 2 263.316 1.439 20 30 CDEDLO C=CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H](C)COC ZINC000617581051 345866178 /nfs/dbraw/zinc/86/61/78/345866178.db2.gz JZCSSZWAUBEGLX-CHWSQXEVSA-N 1 2 277.368 1.495 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617725159 345930358 /nfs/dbraw/zinc/93/03/58/345930358.db2.gz IEECCIHEYWOGAQ-OFQRWUPVSA-N 1 2 298.427 1.441 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617725159 345930361 /nfs/dbraw/zinc/93/03/61/345930361.db2.gz IEECCIHEYWOGAQ-OFQRWUPVSA-N 1 2 298.427 1.441 20 30 CDEDLO C=CC[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000617780166 345968472 /nfs/dbraw/zinc/96/84/72/345968472.db2.gz PQAMKGYNDJVJRW-AWEZNQCLSA-N 1 2 280.412 1.912 20 30 CDEDLO N#Cc1ccc(NCC(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000609624862 345981756 /nfs/dbraw/zinc/98/17/56/345981756.db2.gz KLRQACRASPYTDB-UHFFFAOYSA-N 1 2 281.319 1.250 20 30 CDEDLO CN(C(=O)C[N@H+](C)Cc1cn[nH]c1)C1(C#N)CCCCC1 ZINC000610487310 346292146 /nfs/dbraw/zinc/29/21/46/346292146.db2.gz HUXKILILTIPKRG-UHFFFAOYSA-N 1 2 289.383 1.526 20 30 CDEDLO CN(C(=O)C[N@@H+](C)Cc1cn[nH]c1)C1(C#N)CCCCC1 ZINC000610487310 346292149 /nfs/dbraw/zinc/29/21/49/346292149.db2.gz HUXKILILTIPKRG-UHFFFAOYSA-N 1 2 289.383 1.526 20 30 CDEDLO C=CCOCCCC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449655702 362764021 /nfs/dbraw/zinc/76/40/21/362764021.db2.gz HNDVZZYEDVTEGT-NSHDSACASA-N 1 2 276.327 1.330 20 30 CDEDLO Cn1cc(C[N@H+](C)CCOc2ccccc2C#N)nn1 ZINC000611185134 346634022 /nfs/dbraw/zinc/63/40/22/346634022.db2.gz IHGSWJYGQWHFBN-UHFFFAOYSA-N 1 2 271.324 1.198 20 30 CDEDLO Cn1cc(C[N@@H+](C)CCOc2ccccc2C#N)nn1 ZINC000611185134 346634024 /nfs/dbraw/zinc/63/40/24/346634024.db2.gz IHGSWJYGQWHFBN-UHFFFAOYSA-N 1 2 271.324 1.198 20 30 CDEDLO CN(CC(=O)NCc1ccc(C#N)cc1)Cc1[nH]cc[nH+]1 ZINC000611236995 346705965 /nfs/dbraw/zinc/70/59/65/346705965.db2.gz MBFHNOARYOXJCC-UHFFFAOYSA-N 1 2 283.335 1.030 20 30 CDEDLO CCCC[N@H+](CC1(C#N)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000450564819 362835292 /nfs/dbraw/zinc/83/52/92/362835292.db2.gz VCQIWRHDFQEDOD-CYBMUJFWSA-N 1 2 284.425 1.969 20 30 CDEDLO CCCC[N@@H+](CC1(C#N)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000450564819 362835294 /nfs/dbraw/zinc/83/52/94/362835294.db2.gz VCQIWRHDFQEDOD-CYBMUJFWSA-N 1 2 284.425 1.969 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc2c(c1)ncn2C ZINC000491640546 347585539 /nfs/dbraw/zinc/58/55/39/347585539.db2.gz YUPZBJDCJWEPAY-ZDUSSCGKSA-N 1 2 255.321 1.407 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc2c(c1)ncn2C ZINC000491640546 347585543 /nfs/dbraw/zinc/58/55/43/347585543.db2.gz YUPZBJDCJWEPAY-ZDUSSCGKSA-N 1 2 255.321 1.407 20 30 CDEDLO CC(=O)c1cc(F)ccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414172021 362925993 /nfs/dbraw/zinc/92/59/93/362925993.db2.gz XZVBZRJOTAKUMQ-CYBMUJFWSA-N 1 2 294.326 1.613 20 30 CDEDLO CC(=O)c1cc(F)ccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414172021 362925996 /nfs/dbraw/zinc/92/59/96/362925996.db2.gz XZVBZRJOTAKUMQ-CYBMUJFWSA-N 1 2 294.326 1.613 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cc(F)cc(F)c1 ZINC000414146641 362923419 /nfs/dbraw/zinc/92/34/19/362923419.db2.gz QNGKGPIZEAUYBC-GFCCVEGCSA-N 1 2 270.279 1.550 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cc(F)cc(F)c1 ZINC000414146641 362923424 /nfs/dbraw/zinc/92/34/24/362923424.db2.gz QNGKGPIZEAUYBC-GFCCVEGCSA-N 1 2 270.279 1.550 20 30 CDEDLO CO[C@@H]1CCC[C@@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000576164175 348487453 /nfs/dbraw/zinc/48/74/53/348487453.db2.gz OBQVQEVYLFNAMV-UMVBOHGHSA-N 1 2 281.400 1.542 20 30 CDEDLO Cc1cccn2cc(CC(=O)N3CC[C@@](F)(C#N)C3)[nH+]c12 ZINC000615662631 348629239 /nfs/dbraw/zinc/62/92/39/348629239.db2.gz WLBMNBGNWWVOGI-OAHLLOKOSA-N 1 2 286.310 1.649 20 30 CDEDLO N#CC1CC[NH+](CC(=O)NCCCc2ccccc2)CC1 ZINC000057907299 348851734 /nfs/dbraw/zinc/85/17/34/348851734.db2.gz NQIRCJFWNXZMQX-UHFFFAOYSA-N 1 2 285.391 1.971 20 30 CDEDLO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000263696746 362940842 /nfs/dbraw/zinc/94/08/42/362940842.db2.gz MNOZOXCLLPLGGS-WFASDCNBSA-N 1 2 290.363 1.720 20 30 CDEDLO CC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000263696746 362940846 /nfs/dbraw/zinc/94/08/46/362940846.db2.gz MNOZOXCLLPLGGS-WFASDCNBSA-N 1 2 290.363 1.720 20 30 CDEDLO C=CCCOCC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000620161666 350073582 /nfs/dbraw/zinc/07/35/82/350073582.db2.gz MWOPJGMFJUVISO-UHFFFAOYSA-N 1 2 281.381 1.662 20 30 CDEDLO C=CCCOCC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000620161666 350073586 /nfs/dbraw/zinc/07/35/86/350073586.db2.gz MWOPJGMFJUVISO-UHFFFAOYSA-N 1 2 281.381 1.662 20 30 CDEDLO CCC[N@H+](CC(=O)N(C)C)Cc1cccc(C#N)n1 ZINC000602448361 350110606 /nfs/dbraw/zinc/11/06/06/350110606.db2.gz FXAKVYKOPHHBKN-UHFFFAOYSA-N 1 2 260.341 1.253 20 30 CDEDLO CCC[N@@H+](CC(=O)N(C)C)Cc1cccc(C#N)n1 ZINC000602448361 350110610 /nfs/dbraw/zinc/11/06/10/350110610.db2.gz FXAKVYKOPHHBKN-UHFFFAOYSA-N 1 2 260.341 1.253 20 30 CDEDLO Cc1ccnc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)n2)c1 ZINC000602453829 350111439 /nfs/dbraw/zinc/11/14/39/350111439.db2.gz PMMFHYQHTUDNFK-UHFFFAOYSA-N 1 2 295.346 1.727 20 30 CDEDLO Cc1ccnc(NC(=O)C[N@H+](C)Cc2cccc(C#N)n2)c1 ZINC000602453829 350111442 /nfs/dbraw/zinc/11/14/42/350111442.db2.gz PMMFHYQHTUDNFK-UHFFFAOYSA-N 1 2 295.346 1.727 20 30 CDEDLO C#CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CC1 ZINC000274098515 192437990 /nfs/dbraw/zinc/43/79/90/192437990.db2.gz OLLNASISDUEGJA-UHFFFAOYSA-N 1 2 266.304 1.505 20 30 CDEDLO COc1ccccc1[C@H](CO)[NH2+]Cc1cccc(C#N)n1 ZINC000602548933 350122635 /nfs/dbraw/zinc/12/26/35/350122635.db2.gz AHENVWCRRQBKTM-HNNXBMFYSA-N 1 2 283.331 1.785 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N(CC#N)Cc1ccccc1 ZINC000264098146 362966795 /nfs/dbraw/zinc/96/67/95/362966795.db2.gz HBZMCYUGMOZWOD-OAHLLOKOSA-N 1 2 273.380 1.733 20 30 CDEDLO Cc1nc(C)c(C#N)c(SCCn2cc[nH+]c2)n1 ZINC000121893812 187002894 /nfs/dbraw/zinc/00/28/94/187002894.db2.gz CPENHKJRSOYNAJ-UHFFFAOYSA-N 1 2 259.338 1.954 20 30 CDEDLO CCc1nn(CCn2cc[nH+]c2)c(=O)c(C#N)c1CC ZINC000121913235 187004689 /nfs/dbraw/zinc/00/46/89/187004689.db2.gz ARHJJQVGLGTUTB-UHFFFAOYSA-N 1 2 271.324 1.136 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1occc1C ZINC000292104145 198164434 /nfs/dbraw/zinc/16/44/34/198164434.db2.gz GKDQGXLBBRWTMK-NSHDSACASA-N 1 2 279.340 1.420 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1occc1C ZINC000292104145 198164436 /nfs/dbraw/zinc/16/44/36/198164436.db2.gz GKDQGXLBBRWTMK-NSHDSACASA-N 1 2 279.340 1.420 20 30 CDEDLO CS(=O)(=O)CC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000292116360 198169669 /nfs/dbraw/zinc/16/96/69/198169669.db2.gz JPJHXIXMQQLPNZ-UHFFFAOYSA-N 1 2 292.404 1.815 20 30 CDEDLO C=CCNC(=O)C[N@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000292136657 198177409 /nfs/dbraw/zinc/17/74/09/198177409.db2.gz IYEDHBPMUYKIIR-BETUJISGSA-N 1 2 295.427 1.256 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000292136657 198177410 /nfs/dbraw/zinc/17/74/10/198177410.db2.gz IYEDHBPMUYKIIR-BETUJISGSA-N 1 2 295.427 1.256 20 30 CDEDLO C#CCSCCNC(=O)NCc1c[nH+]ccc1OC ZINC000292682101 198374495 /nfs/dbraw/zinc/37/44/95/198374495.db2.gz MVPXEJVXSJZFCD-UHFFFAOYSA-N 1 2 279.365 1.256 20 30 CDEDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000365274189 363310776 /nfs/dbraw/zinc/31/07/76/363310776.db2.gz IIGSDBCWUWGTCK-CQSZACIVSA-N 1 2 293.392 1.072 20 30 CDEDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000365274189 363310781 /nfs/dbraw/zinc/31/07/81/363310781.db2.gz IIGSDBCWUWGTCK-CQSZACIVSA-N 1 2 293.392 1.072 20 30 CDEDLO C[C@H](CC(=O)NC[C@@H]1CCCN(CC#N)C1)n1cc[nH+]c1 ZINC000583941427 355991623 /nfs/dbraw/zinc/99/16/23/355991623.db2.gz ITQOYSUJPPDVKH-KGLIPLIRSA-N 1 2 289.383 1.186 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000447405961 356000195 /nfs/dbraw/zinc/00/01/95/356000195.db2.gz RTHYPHZYFNBFIU-NSHDSACASA-N 1 2 278.400 1.830 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000447405961 356000200 /nfs/dbraw/zinc/00/02/00/356000200.db2.gz RTHYPHZYFNBFIU-NSHDSACASA-N 1 2 278.400 1.830 20 30 CDEDLO C#CC[NH+](CC#C)[C@H]1CCN(c2ccccc2)C1=O ZINC000298825392 356932444 /nfs/dbraw/zinc/93/24/44/356932444.db2.gz BINSVOYKWGCPFY-HNNXBMFYSA-N 1 2 252.317 1.360 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NCC2CC[NH+](CC(F)F)CC2)c1 ZINC000560602624 357001682 /nfs/dbraw/zinc/00/16/82/357001682.db2.gz CQSKPLQWAHUSBM-UHFFFAOYSA-N 1 2 296.321 1.593 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@](F)(CO)C2)c(F)c1 ZINC000334265084 357556578 /nfs/dbraw/zinc/55/65/78/357556578.db2.gz XZECLHQQYDAFBN-CYBMUJFWSA-N 1 2 252.264 1.604 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)c(F)c1 ZINC000334265084 357556581 /nfs/dbraw/zinc/55/65/81/357556581.db2.gz XZECLHQQYDAFBN-CYBMUJFWSA-N 1 2 252.264 1.604 20 30 CDEDLO N#CCNC(=O)C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000108851373 357563152 /nfs/dbraw/zinc/56/31/52/357563152.db2.gz AJWYHBLVEPMEFG-UHFFFAOYSA-N 1 2 273.311 1.555 20 30 CDEDLO N#CCNC(=O)C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000108851373 357563155 /nfs/dbraw/zinc/56/31/55/357563155.db2.gz AJWYHBLVEPMEFG-UHFFFAOYSA-N 1 2 273.311 1.555 20 30 CDEDLO N#Cc1cccc(C[NH2+]Cc2nnc(C3CC3)s2)n1 ZINC000602693476 357791552 /nfs/dbraw/zinc/79/15/52/357791552.db2.gz MOCPJNAARXRJIK-UHFFFAOYSA-N 1 2 271.349 1.972 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)c1ccc(C#N)c(Cl)c1 ZINC000335287067 357899912 /nfs/dbraw/zinc/89/99/12/357899912.db2.gz RDCQDPQCQHKBLF-UHFFFAOYSA-N 1 2 274.711 1.875 20 30 CDEDLO CC#CCN(C)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000294518233 199070055 /nfs/dbraw/zinc/07/00/55/199070055.db2.gz KXCUBXUWWKFEEH-UHFFFAOYSA-N 1 2 255.321 1.826 20 30 CDEDLO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc(C#N)cs2)C[C@H]1C ZINC000175915411 358029834 /nfs/dbraw/zinc/02/98/34/358029834.db2.gz OIAZBUNBFCWGSA-GHMZBOCLSA-N 1 2 293.392 1.147 20 30 CDEDLO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc(C#N)cs2)C[C@H]1C ZINC000175915411 358029837 /nfs/dbraw/zinc/02/98/37/358029837.db2.gz OIAZBUNBFCWGSA-GHMZBOCLSA-N 1 2 293.392 1.147 20 30 CDEDLO CN1CC[N@H+](C)[C@H](CNc2ccc(Cl)c(C#N)n2)C1 ZINC000264687480 358056261 /nfs/dbraw/zinc/05/62/61/358056261.db2.gz BNFUWMZUMPBXFD-SNVBAGLBSA-N 1 2 279.775 1.264 20 30 CDEDLO CN1CC[N@@H+](C)[C@H](CNc2ccc(Cl)c(C#N)n2)C1 ZINC000264687480 358056262 /nfs/dbraw/zinc/05/62/62/358056262.db2.gz BNFUWMZUMPBXFD-SNVBAGLBSA-N 1 2 279.775 1.264 20 30 CDEDLO C=CC1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000364456825 358396950 /nfs/dbraw/zinc/39/69/50/358396950.db2.gz DUZFYDQMUYLKOB-ZDUSSCGKSA-N 1 2 259.353 1.870 20 30 CDEDLO CC1CCC(NC(=O)C[NH+]2CCC(C#N)CC2)CC1 ZINC000057907393 358734383 /nfs/dbraw/zinc/73/43/83/358734383.db2.gz FVIYQXRGBINMRJ-UHFFFAOYSA-N 1 2 263.385 1.917 20 30 CDEDLO N#CCCCCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000178760817 366499662 /nfs/dbraw/zinc/49/96/62/366499662.db2.gz RSRHHDUGGHKTJC-CYBMUJFWSA-N 1 2 287.367 1.653 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1C#N ZINC000338286893 359113077 /nfs/dbraw/zinc/11/30/77/359113077.db2.gz YLXYTXULVDXPCZ-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1C#N ZINC000338286893 359113082 /nfs/dbraw/zinc/11/30/82/359113082.db2.gz YLXYTXULVDXPCZ-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[S@](=O)Cc1c[nH+]cn1C ZINC000268172144 359358627 /nfs/dbraw/zinc/35/86/27/359358627.db2.gz QKXBVWVLKKYLEM-LJQANCHMSA-N 1 2 283.397 1.093 20 30 CDEDLO C#CCC[NH+]1CCN(c2ncc(C#N)cc2Cl)CC1 ZINC000265127301 359324287 /nfs/dbraw/zinc/32/42/87/359324287.db2.gz LQZWKDQRKRNJOQ-UHFFFAOYSA-N 1 2 274.755 1.752 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N1CCCc2ccccc21 ZINC000265980437 359337037 /nfs/dbraw/zinc/33/70/37/359337037.db2.gz DVEUQTNMGZCRAO-UHFFFAOYSA-N 1 2 256.349 1.921 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N1CCCc2ccccc21 ZINC000265980437 359337044 /nfs/dbraw/zinc/33/70/44/359337044.db2.gz DVEUQTNMGZCRAO-UHFFFAOYSA-N 1 2 256.349 1.921 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(F)c(F)c1 ZINC000266914208 359348194 /nfs/dbraw/zinc/34/81/94/359348194.db2.gz KCWPSKMSPFOYPJ-UHFFFAOYSA-N 1 2 252.264 1.858 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(F)c(F)c1 ZINC000266914208 359348197 /nfs/dbraw/zinc/34/81/97/359348197.db2.gz KCWPSKMSPFOYPJ-UHFFFAOYSA-N 1 2 252.264 1.858 20 30 CDEDLO C#CCN(CC)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000271090839 359419436 /nfs/dbraw/zinc/41/94/36/359419436.db2.gz UEELRRYYEPJVFD-UHFFFAOYSA-N 1 2 286.375 1.614 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000279588648 359588692 /nfs/dbraw/zinc/58/86/92/359588692.db2.gz NWPYIYLOESXVAB-HNNXBMFYSA-N 1 2 278.396 1.688 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000279588648 359588696 /nfs/dbraw/zinc/58/86/96/359588696.db2.gz NWPYIYLOESXVAB-HNNXBMFYSA-N 1 2 278.396 1.688 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccnc2)n1 ZINC000279653795 359591221 /nfs/dbraw/zinc/59/12/21/359591221.db2.gz BVLXJXPDCLPPOK-UHFFFAOYSA-N 1 2 254.337 1.933 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccnc2)n1 ZINC000279653795 359591230 /nfs/dbraw/zinc/59/12/30/359591230.db2.gz BVLXJXPDCLPPOK-UHFFFAOYSA-N 1 2 254.337 1.933 20 30 CDEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H](C)C(=O)NC(=O)NC ZINC000298042245 200322771 /nfs/dbraw/zinc/32/27/71/200322771.db2.gz GWEDAINQQCRDDJ-NSHDSACASA-N 1 2 293.342 1.658 20 30 CDEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H](C)C(=O)NC(=O)NC ZINC000298042245 200322773 /nfs/dbraw/zinc/32/27/73/200322773.db2.gz GWEDAINQQCRDDJ-NSHDSACASA-N 1 2 293.342 1.658 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177784830 189069026 /nfs/dbraw/zinc/06/90/26/189069026.db2.gz UIMNGKVYSXAEDJ-NSHDSACASA-N 1 2 291.420 1.592 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177784830 189069027 /nfs/dbraw/zinc/06/90/27/189069027.db2.gz UIMNGKVYSXAEDJ-NSHDSACASA-N 1 2 291.420 1.592 20 30 CDEDLO C=CCn1cc(CNc2cc[nH+]c(C(C)(C)C)n2)nn1 ZINC000644878589 360776702 /nfs/dbraw/zinc/77/67/02/360776702.db2.gz OVCWPQFVCYVLPS-UHFFFAOYSA-N 1 2 272.356 1.586 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1cncs1 ZINC000563219942 360896930 /nfs/dbraw/zinc/89/69/30/360896930.db2.gz CHTHNBXUPKPJER-GFCCVEGCSA-N 1 2 266.370 1.036 20 30 CDEDLO CC#CC[NH+]1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000157591497 360916796 /nfs/dbraw/zinc/91/67/96/360916796.db2.gz NCJLYULAEYBESN-HNNXBMFYSA-N 1 2 277.412 1.028 20 30 CDEDLO CC#CCN1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000157591497 360916801 /nfs/dbraw/zinc/91/68/01/360916801.db2.gz NCJLYULAEYBESN-HNNXBMFYSA-N 1 2 277.412 1.028 20 30 CDEDLO CC(C)(CC#N)CS(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000408458579 361135361 /nfs/dbraw/zinc/13/53/61/361135361.db2.gz UMANFAIKSLFTHH-UHFFFAOYSA-N 1 2 299.440 1.426 20 30 CDEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+](C)CC(C)(C)C#N)C1 ZINC000433295877 361228124 /nfs/dbraw/zinc/22/81/24/361228124.db2.gz QMYSVZPHLNMNOQ-CHWSQXEVSA-N 1 2 265.401 1.972 20 30 CDEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+](C)CC(C)(C)C#N)C1 ZINC000433295877 361228129 /nfs/dbraw/zinc/22/81/29/361228129.db2.gz QMYSVZPHLNMNOQ-CHWSQXEVSA-N 1 2 265.401 1.972 20 30 CDEDLO Cc1cccn2c(=O)cc(C[N@@H+](C)CC(C)(C)C#N)nc12 ZINC000433293249 361228536 /nfs/dbraw/zinc/22/85/36/361228536.db2.gz CUEHWGDGTGBXIJ-UHFFFAOYSA-N 1 2 284.363 1.985 20 30 CDEDLO Cc1cccn2c(=O)cc(C[N@H+](C)CC(C)(C)C#N)nc12 ZINC000433293249 361228543 /nfs/dbraw/zinc/22/85/43/361228543.db2.gz CUEHWGDGTGBXIJ-UHFFFAOYSA-N 1 2 284.363 1.985 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433304589 361230892 /nfs/dbraw/zinc/23/08/92/361230892.db2.gz NIESYWIIKUATKY-AWEZNQCLSA-N 1 2 264.373 1.522 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433304589 361230896 /nfs/dbraw/zinc/23/08/96/361230896.db2.gz NIESYWIIKUATKY-AWEZNQCLSA-N 1 2 264.373 1.522 20 30 CDEDLO CCOC(=O)C[N@@H+]1CCCN(c2ccc(C#N)nc2)CC1 ZINC000301564193 201072002 /nfs/dbraw/zinc/07/20/02/201072002.db2.gz JZOJYPQIIYTHSF-UHFFFAOYSA-N 1 2 288.351 1.028 20 30 CDEDLO CCOC(=O)C[N@H+]1CCCN(c2ccc(C#N)nc2)CC1 ZINC000301564193 201072006 /nfs/dbraw/zinc/07/20/06/201072006.db2.gz JZOJYPQIIYTHSF-UHFFFAOYSA-N 1 2 288.351 1.028 20 30 CDEDLO Cc1[nH+]ccn1CCNC([O-])=[NH+][C@@]1(C)CCCOC1 ZINC000329141879 361451962 /nfs/dbraw/zinc/45/19/62/361451962.db2.gz KSRBBQMACUAIMC-ZDUSSCGKSA-N 1 2 266.345 1.264 20 30 CDEDLO CC#CC[N@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000159004650 361502966 /nfs/dbraw/zinc/50/29/66/361502966.db2.gz OJFWQGBWWJWPSF-GFCCVEGCSA-N 1 2 261.321 1.576 20 30 CDEDLO CC#CC[N@@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000159004650 361502969 /nfs/dbraw/zinc/50/29/69/361502969.db2.gz OJFWQGBWWJWPSF-GFCCVEGCSA-N 1 2 261.321 1.576 20 30 CDEDLO N#Cc1ccc(C2(C(=O)N3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000329929534 202548927 /nfs/dbraw/zinc/54/89/27/202548927.db2.gz NNQQQUFEXAFLEE-UHFFFAOYSA-N 1 2 292.342 1.829 20 30 CDEDLO CCOCC[NH+]1CCN(C(=O)C2(C#N)CC(C)C2)CC1 ZINC000532320980 363917467 /nfs/dbraw/zinc/91/74/67/363917467.db2.gz CAKSSJAYMFRJOM-UHFFFAOYSA-N 1 2 279.384 1.107 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2cc(C#N)cs2)[C@H](C(N)=O)C1 ZINC000190154759 363980466 /nfs/dbraw/zinc/98/04/66/363980466.db2.gz KQIJYSHIQKHIKU-CABZTGNLSA-N 1 2 263.366 1.706 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2cc(C#N)cs2)[C@H](C(N)=O)C1 ZINC000190154759 363980472 /nfs/dbraw/zinc/98/04/72/363980472.db2.gz KQIJYSHIQKHIKU-CABZTGNLSA-N 1 2 263.366 1.706 20 30 CDEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000249334286 364537659 /nfs/dbraw/zinc/53/76/59/364537659.db2.gz HWXLEPNTAKCQTB-GJZGRUSLSA-N 1 2 288.347 1.365 20 30 CDEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000249334286 364537662 /nfs/dbraw/zinc/53/76/62/364537662.db2.gz HWXLEPNTAKCQTB-GJZGRUSLSA-N 1 2 288.347 1.365 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cn3c(cccc3C)n2)nn1 ZINC000641030054 364853144 /nfs/dbraw/zinc/85/31/44/364853144.db2.gz NJSMBWZOYVPXPT-UHFFFAOYSA-N 1 2 294.362 1.395 20 30 CDEDLO Cc1cc(C#N)cc(NC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)c1 ZINC000456966409 364985721 /nfs/dbraw/zinc/98/57/21/364985721.db2.gz NONMBAUCUFURFE-OAHLLOKOSA-N 1 2 297.362 1.842 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000375244818 370800225 /nfs/dbraw/zinc/80/02/25/370800225.db2.gz ISGJNHUJHBEHOI-HIFRSBDPSA-N 1 2 278.396 1.405 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000375244818 370800227 /nfs/dbraw/zinc/80/02/27/370800227.db2.gz ISGJNHUJHBEHOI-HIFRSBDPSA-N 1 2 278.396 1.405 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1CC[C@H]1CCc2ccccc21 ZINC001580045239 1172331670 /nfs/dbraw/zinc/33/16/70/1172331670.db2.gz RAIPZGLNFHLLTG-CABCVRRESA-N 1 2 255.365 1.904 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1nccs1 ZINC000272835495 365280358 /nfs/dbraw/zinc/28/03/58/365280358.db2.gz IPXZMKAVMUYSQC-SECBINFHSA-N 1 2 260.384 1.395 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCCn1cc[nH+]c1 ZINC000275711007 193111048 /nfs/dbraw/zinc/11/10/48/193111048.db2.gz RNTZWRRNSXAYIU-ZDUSSCGKSA-N 1 2 251.330 1.228 20 30 CDEDLO Cn1cc(-c2ncc(C[N@H+](C)CC(C)(C)C#N)cn2)cn1 ZINC000354008986 365399574 /nfs/dbraw/zinc/39/95/74/365399574.db2.gz GKWOXRUDHPIBFP-UHFFFAOYSA-N 1 2 284.367 1.859 20 30 CDEDLO Cn1cc(-c2ncc(C[N@@H+](C)CC(C)(C)C#N)cn2)cn1 ZINC000354008986 365399578 /nfs/dbraw/zinc/39/95/78/365399578.db2.gz GKWOXRUDHPIBFP-UHFFFAOYSA-N 1 2 284.367 1.859 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)CCc1nc2ccccc2c(=O)[nH]1 ZINC000505773007 366994539 /nfs/dbraw/zinc/99/45/39/366994539.db2.gz XDOVBDJMMGKZFT-NSHDSACASA-N 1 2 270.336 1.969 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)CCc1nc2ccccc2c(=O)[nH]1 ZINC000505773007 366994546 /nfs/dbraw/zinc/99/45/46/366994546.db2.gz XDOVBDJMMGKZFT-NSHDSACASA-N 1 2 270.336 1.969 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2C(N)=O)cc1F ZINC000191917035 367315878 /nfs/dbraw/zinc/31/58/78/367315878.db2.gz NYITZIMZDGLERG-CYBMUJFWSA-N 1 2 261.300 1.537 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)cc1F ZINC000191917035 367315885 /nfs/dbraw/zinc/31/58/85/367315885.db2.gz NYITZIMZDGLERG-CYBMUJFWSA-N 1 2 261.300 1.537 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+](C)C[C@@H]2CCCO2)c(C#N)c1C ZINC000170687784 368509093 /nfs/dbraw/zinc/50/90/93/368509093.db2.gz JZWGIBVFJOXQTR-LBPRGKRZSA-N 1 2 291.351 1.817 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+](C)C[C@@H]2CCCO2)c(C#N)c1C ZINC000170687784 368509097 /nfs/dbraw/zinc/50/90/97/368509097.db2.gz JZWGIBVFJOXQTR-LBPRGKRZSA-N 1 2 291.351 1.817 20 30 CDEDLO C[C@@H]1C[N@H+](CC2(C#N)CC2)C[C@]2(CCCOC2)O1 ZINC000361618608 368941707 /nfs/dbraw/zinc/94/17/07/368941707.db2.gz JYZDLPLGJGRHSL-OCCSQVGLSA-N 1 2 250.342 1.560 20 30 CDEDLO C[C@@H]1C[N@@H+](CC2(C#N)CC2)C[C@]2(CCCOC2)O1 ZINC000361618608 368941710 /nfs/dbraw/zinc/94/17/10/368941710.db2.gz JYZDLPLGJGRHSL-OCCSQVGLSA-N 1 2 250.342 1.560 20 30 CDEDLO COCC[NH+](CCOC)CC(=O)Nc1ccc(C#N)cc1 ZINC000026227832 369515202 /nfs/dbraw/zinc/51/52/02/369515202.db2.gz YYMNMNPVSKIUNV-UHFFFAOYSA-N 1 2 291.351 1.092 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000331823347 204205700 /nfs/dbraw/zinc/20/57/00/204205700.db2.gz WETAVUUXIRYBSR-HZMBPMFUSA-N 1 2 299.334 1.270 20 30 CDEDLO CC#CCC[N@@H+]1CCNC(=O)[C@H]1c1cccc(C)c1 ZINC000569139505 371238780 /nfs/dbraw/zinc/23/87/80/371238780.db2.gz IRPNNSKKMMUTBT-OAHLLOKOSA-N 1 2 256.349 1.881 20 30 CDEDLO CC#CCC[N@H+]1CCNC(=O)[C@H]1c1cccc(C)c1 ZINC000569139505 371238785 /nfs/dbraw/zinc/23/87/85/371238785.db2.gz IRPNNSKKMMUTBT-OAHLLOKOSA-N 1 2 256.349 1.881 20 30 CDEDLO C[C@@H](C#N)CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000572788110 371303839 /nfs/dbraw/zinc/30/38/39/371303839.db2.gz LPCJQEAQXAYFMW-LBPRGKRZSA-N 1 2 268.320 1.821 20 30 CDEDLO CCc1cccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)n1 ZINC000573328292 371504264 /nfs/dbraw/zinc/50/42/64/371504264.db2.gz HCPSDYBDBDRAIZ-CQSZACIVSA-N 1 2 260.341 1.218 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000172616049 372407312 /nfs/dbraw/zinc/40/73/12/372407312.db2.gz WKDHQMOIAUEYKN-QWRGUYRKSA-N 1 2 273.340 1.071 20 30 CDEDLO C[C@@H](C#N)CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000184652650 372650575 /nfs/dbraw/zinc/65/05/75/372650575.db2.gz SWJVGHJICVBIKF-ZDUSSCGKSA-N 1 2 287.367 1.068 20 30 CDEDLO C=CC[N@@H+](CCc1ccncc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000579947492 372652865 /nfs/dbraw/zinc/65/28/65/372652865.db2.gz ORKOLDWZIBKLEE-OAHLLOKOSA-N 1 2 294.420 1.608 20 30 CDEDLO C=CC[N@H+](CCc1ccncc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000579947492 372652870 /nfs/dbraw/zinc/65/28/70/372652870.db2.gz ORKOLDWZIBKLEE-OAHLLOKOSA-N 1 2 294.420 1.608 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042242588 372944932 /nfs/dbraw/zinc/94/49/32/372944932.db2.gz KSRFJZRLENOYLE-MJBXVCDLSA-N 1 2 266.385 1.685 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042242588 372944936 /nfs/dbraw/zinc/94/49/36/372944936.db2.gz KSRFJZRLENOYLE-MJBXVCDLSA-N 1 2 266.385 1.685 20 30 CDEDLO Cc1noc([C@H](C)[NH2+]CCC(=O)Nc2cccc(C#N)c2)n1 ZINC000348094320 372989851 /nfs/dbraw/zinc/98/98/51/372989851.db2.gz XOYWJBQSULKSSX-JTQLQIEISA-N 1 2 299.334 1.929 20 30 CDEDLO CC(C)CCN(CCC#N)CC[N@@H+]1CCOC[C@@H]1C ZINC000191527051 373514040 /nfs/dbraw/zinc/51/40/40/373514040.db2.gz JRFRMBVCBHKTBR-HNNXBMFYSA-N 1 2 267.417 1.969 20 30 CDEDLO CC(C)CCN(CCC#N)CC[N@H+]1CCOC[C@@H]1C ZINC000191527051 373514046 /nfs/dbraw/zinc/51/40/46/373514046.db2.gz JRFRMBVCBHKTBR-HNNXBMFYSA-N 1 2 267.417 1.969 20 30 CDEDLO C[C@H]([C@H](C)[N@H+](C)Cc1ccc(C#N)c(F)c1)S(C)(=O)=O ZINC000192025548 373573519 /nfs/dbraw/zinc/57/35/19/373573519.db2.gz ZVFUZSUCKRCRJO-WDEREUQCSA-N 1 2 298.383 1.951 20 30 CDEDLO C[C@H]([C@H](C)[N@@H+](C)Cc1ccc(C#N)c(F)c1)S(C)(=O)=O ZINC000192025548 373573524 /nfs/dbraw/zinc/57/35/24/373573524.db2.gz ZVFUZSUCKRCRJO-WDEREUQCSA-N 1 2 298.383 1.951 20 30 CDEDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cncc(F)c1 ZINC000361133237 374033996 /nfs/dbraw/zinc/03/39/96/374033996.db2.gz VVAPODXTVSXKHD-ZUZCIYMTSA-N 1 2 298.321 1.970 20 30 CDEDLO COc1cc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)ccc1C#N ZINC000350667355 374048508 /nfs/dbraw/zinc/04/85/08/374048508.db2.gz OTLFBDVNJVZWAC-ZBFHGGJFSA-N 1 2 287.363 1.082 20 30 CDEDLO COc1cc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)ccc1C#N ZINC000350667355 374048515 /nfs/dbraw/zinc/04/85/15/374048515.db2.gz OTLFBDVNJVZWAC-ZBFHGGJFSA-N 1 2 287.363 1.082 20 30 CDEDLO Cc1c[nH+]ccc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000112496717 374224217 /nfs/dbraw/zinc/22/42/17/374224217.db2.gz WZQZRSLSNNWZAV-UHFFFAOYSA-N 1 2 274.305 1.458 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccoc1 ZINC000342628638 374349132 /nfs/dbraw/zinc/34/91/32/374349132.db2.gz GOMCCLGXDWJARP-SNVBAGLBSA-N 1 2 265.313 1.112 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccoc1 ZINC000342628638 374349137 /nfs/dbraw/zinc/34/91/37/374349137.db2.gz GOMCCLGXDWJARP-SNVBAGLBSA-N 1 2 265.313 1.112 20 30 CDEDLO COCc1ccc(NC(=O)C[NH+]2CC(C)(C)C2)cc1C#N ZINC000529814202 374472442 /nfs/dbraw/zinc/47/24/42/374472442.db2.gz LDPZBHRSUKRYJP-UHFFFAOYSA-N 1 2 287.363 1.985 20 30 CDEDLO Cc1ccnc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c1C#N ZINC000377027362 374581810 /nfs/dbraw/zinc/58/18/10/374581810.db2.gz ZJGISYNXKHWIKC-CQSZACIVSA-N 1 2 297.362 1.935 20 30 CDEDLO Cn1c[nH+]c2c1CCN(Cc1ccccc1C#N)C2 ZINC000377372199 374599552 /nfs/dbraw/zinc/59/95/52/374599552.db2.gz HDDDNAVKSNMYQD-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO Cn1cc([C@@H](CO)[NH2+]Cc2ccc(Cl)cc2C#N)cn1 ZINC000275167531 374691703 /nfs/dbraw/zinc/69/17/03/374691703.db2.gz KJBYRCHODGHZMZ-CQSZACIVSA-N 1 2 290.754 1.768 20 30 CDEDLO CCC[N@H+](CC(=O)OC)Cc1cc(C#N)ccc1OC ZINC000131754044 375337679 /nfs/dbraw/zinc/33/76/79/375337679.db2.gz PNEALKWXBWQZHI-UHFFFAOYSA-N 1 2 276.336 1.952 20 30 CDEDLO CCC[N@@H+](CC(=O)OC)Cc1cc(C#N)ccc1OC ZINC000131754044 375337683 /nfs/dbraw/zinc/33/76/83/375337683.db2.gz PNEALKWXBWQZHI-UHFFFAOYSA-N 1 2 276.336 1.952 20 30 CDEDLO N#CC1(C(=O)NCCc2cn3c([nH+]2)CCCC3)CCC1 ZINC000134573016 375640866 /nfs/dbraw/zinc/64/08/66/375640866.db2.gz KUQUDINRBYZWJZ-UHFFFAOYSA-N 1 2 272.352 1.572 20 30 CDEDLO Cc1cc(NC2CN(C(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000496327916 375736318 /nfs/dbraw/zinc/73/63/18/375736318.db2.gz QHGLWURMXNWBLP-UHFFFAOYSA-N 1 2 288.351 1.715 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)C(C)(C)S(=O)(=O)C1CC1 ZINC000328808847 375960141 /nfs/dbraw/zinc/96/01/41/375960141.db2.gz LVHBFXCZGZVQNS-UHFFFAOYSA-N 1 2 285.369 1.530 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(C)(C)CO ZINC000295371719 375978990 /nfs/dbraw/zinc/97/89/90/375978990.db2.gz ZXURNOGQBNONEC-CQSZACIVSA-N 1 2 290.363 1.723 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(C)(C)CO ZINC000295371719 375978994 /nfs/dbraw/zinc/97/89/94/375978994.db2.gz ZXURNOGQBNONEC-CQSZACIVSA-N 1 2 290.363 1.723 20 30 CDEDLO C[C@@H]1CC(=O)N[C@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000328757043 375945790 /nfs/dbraw/zinc/94/57/90/375945790.db2.gz UTIZPAOKSGSBRQ-QWRGUYRKSA-N 1 2 269.345 1.030 20 30 CDEDLO N#Cc1ccncc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000345362190 375982012 /nfs/dbraw/zinc/98/20/12/375982012.db2.gz BISHENKSPLSNJK-CYBMUJFWSA-N 1 2 293.330 1.357 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420944843 376488652 /nfs/dbraw/zinc/48/86/52/376488652.db2.gz SKWRJQDVKKTSMN-ZIAGYGMSSA-N 1 2 298.427 1.271 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420944843 376488664 /nfs/dbraw/zinc/48/86/64/376488664.db2.gz SKWRJQDVKKTSMN-ZIAGYGMSSA-N 1 2 298.427 1.271 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435053100 248152278 /nfs/dbraw/zinc/15/22/78/248152278.db2.gz ZVHAQTTZHZOBKK-CYBMUJFWSA-N 1 2 294.358 1.991 20 30 CDEDLO N#Cc1cccn(Cc2[nH+]ccn2-c2ccccc2)c1=O ZINC000434650471 248124874 /nfs/dbraw/zinc/12/48/74/248124874.db2.gz NFABDRTYUXZBRY-UHFFFAOYSA-N 1 2 276.299 1.954 20 30 CDEDLO C[C@@H]1CCN(S(=O)(=O)CCCC#N)C[C@H]1n1cc[nH+]c1 ZINC000247009877 377031458 /nfs/dbraw/zinc/03/14/58/377031458.db2.gz DDXJYCAHONKGDJ-CHWSQXEVSA-N 1 2 296.396 1.400 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000248804199 377329033 /nfs/dbraw/zinc/32/90/33/377329033.db2.gz AXCYCTWZKDZRLW-QWHCGFSZSA-N 1 2 283.397 1.672 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000076186007 377466374 /nfs/dbraw/zinc/46/63/74/377466374.db2.gz AOMUSVFQAHAPRP-JKSUJKDBSA-N 1 2 272.392 1.736 20 30 CDEDLO Cn1ncnc1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000172724875 377718344 /nfs/dbraw/zinc/71/83/44/377718344.db2.gz NWSNVQCFXCKRCW-UHFFFAOYSA-N 1 2 296.378 1.399 20 30 CDEDLO Cn1ncnc1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000172724875 377718352 /nfs/dbraw/zinc/71/83/52/377718352.db2.gz NWSNVQCFXCKRCW-UHFFFAOYSA-N 1 2 296.378 1.399 20 30 CDEDLO COC[C@H]1C[N@H+](CCOc2ccccc2C#N)CCO1 ZINC000172878096 377786136 /nfs/dbraw/zinc/78/61/36/377786136.db2.gz LXFCRRLQGSZJHV-CQSZACIVSA-N 1 2 276.336 1.284 20 30 CDEDLO COC[C@H]1C[N@@H+](CCOc2ccccc2C#N)CCO1 ZINC000172878096 377786145 /nfs/dbraw/zinc/78/61/45/377786145.db2.gz LXFCRRLQGSZJHV-CQSZACIVSA-N 1 2 276.336 1.284 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](CC(=O)OC)[C@H](C)CC)C1=O ZINC000281239340 377991575 /nfs/dbraw/zinc/99/15/75/377991575.db2.gz GAWZXXAVSUCJFS-NEPJUHHUSA-N 1 2 268.357 1.047 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](CC(=O)OC)[C@H](C)CC)C1=O ZINC000281239340 377991578 /nfs/dbraw/zinc/99/15/78/377991578.db2.gz GAWZXXAVSUCJFS-NEPJUHHUSA-N 1 2 268.357 1.047 20 30 CDEDLO CC(C)(C)c1ccc2c(c1)C[N@@H+](CC(=O)NCC#N)CC2 ZINC000182254882 378031388 /nfs/dbraw/zinc/03/13/88/378031388.db2.gz KWRDVSVJHNGIFF-UHFFFAOYSA-N 1 2 285.391 1.982 20 30 CDEDLO CC(C)(C)c1ccc2c(c1)C[N@H+](CC(=O)NCC#N)CC2 ZINC000182254882 378031392 /nfs/dbraw/zinc/03/13/92/378031392.db2.gz KWRDVSVJHNGIFF-UHFFFAOYSA-N 1 2 285.391 1.982 20 30 CDEDLO Cc1nnc(SCC[N@H+]2CCOC[C@H]2C)c(C#N)c1C ZINC000191557994 378096747 /nfs/dbraw/zinc/09/67/47/378096747.db2.gz XJJYEHGZRPQLCF-SNVBAGLBSA-N 1 2 292.408 1.778 20 30 CDEDLO Cc1nnc(SCC[N@@H+]2CCOC[C@H]2C)c(C#N)c1C ZINC000191557994 378096752 /nfs/dbraw/zinc/09/67/52/378096752.db2.gz XJJYEHGZRPQLCF-SNVBAGLBSA-N 1 2 292.408 1.778 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3cnccn3)CC2)cc1F ZINC000191962576 378165216 /nfs/dbraw/zinc/16/52/16/378165216.db2.gz XIZWZICTIFPHGQ-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000192226296 378178465 /nfs/dbraw/zinc/17/84/65/378178465.db2.gz JIRIMMBYKMWWOZ-JTQLQIEISA-N 1 2 259.309 1.660 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000192226296 378178472 /nfs/dbraw/zinc/17/84/72/378178472.db2.gz JIRIMMBYKMWWOZ-JTQLQIEISA-N 1 2 259.309 1.660 20 30 CDEDLO C#Cc1cccc(N(C)C(=O)CCc2c[nH+]cn2C)c1 ZINC000193147596 378269575 /nfs/dbraw/zinc/26/95/75/378269575.db2.gz GHFBMECIOSSKFA-UHFFFAOYSA-N 1 2 267.332 1.997 20 30 CDEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000120927875 378379076 /nfs/dbraw/zinc/37/90/76/378379076.db2.gz QNBNECICOZQKRJ-GHMZBOCLSA-N 1 2 298.383 1.951 20 30 CDEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000120927875 378379081 /nfs/dbraw/zinc/37/90/81/378379081.db2.gz QNBNECICOZQKRJ-GHMZBOCLSA-N 1 2 298.383 1.951 20 30 CDEDLO C=C[C@H](CO)Nc1[nH+]cnc2c1c(Br)nn2C ZINC000290942137 378421038 /nfs/dbraw/zinc/42/10/38/378421038.db2.gz BXKGJVOJIVBHSE-ZCFIWIBFSA-N 1 2 298.144 1.085 20 30 CDEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000293090745 378537219 /nfs/dbraw/zinc/53/72/19/378537219.db2.gz KHKDJSGIQWXBGR-ZDUSSCGKSA-N 1 2 256.349 1.919 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000293090745 378537226 /nfs/dbraw/zinc/53/72/26/378537226.db2.gz KHKDJSGIQWXBGR-ZDUSSCGKSA-N 1 2 256.349 1.919 20 30 CDEDLO C#C[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)C(C)C ZINC000294252698 378631348 /nfs/dbraw/zinc/63/13/48/378631348.db2.gz PRPGVTGDRRCGNR-AWEZNQCLSA-N 1 2 274.368 1.887 20 30 CDEDLO C#CCC(C)(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000185933780 378830571 /nfs/dbraw/zinc/83/05/71/378830571.db2.gz WSLREOWIWBOHMK-CYBMUJFWSA-N 1 2 271.364 1.826 20 30 CDEDLO C=CCn1cccc1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000334542363 378960571 /nfs/dbraw/zinc/96/05/71/378960571.db2.gz GVSYRZOGRNLHRY-HUUCEWRRSA-N 1 2 289.379 1.219 20 30 CDEDLO C=CCn1cccc1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000334542363 378960573 /nfs/dbraw/zinc/96/05/73/378960573.db2.gz GVSYRZOGRNLHRY-HUUCEWRRSA-N 1 2 289.379 1.219 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000279254512 194353890 /nfs/dbraw/zinc/35/38/90/194353890.db2.gz SFJVEJPZWBGPRK-MRXNPFEDSA-N 1 2 289.379 1.053 20 30 CDEDLO C#CCCOc1ccc(C[NH+]2CCN(CCO)CC2)cc1 ZINC000269340392 533071681 /nfs/dbraw/zinc/07/16/81/533071681.db2.gz GAZSYIDHDSNKML-UHFFFAOYSA-N 1 2 288.391 1.199 20 30 CDEDLO C=CCC1(NC(=O)NCC[N@H+]2CCOC[C@@H]2C)CCCC1 ZINC000663989670 412999664 /nfs/dbraw/zinc/99/96/64/412999664.db2.gz CXGWGYAPGDGEJJ-AWEZNQCLSA-N 1 2 295.427 1.895 20 30 CDEDLO C=CCC1(NC(=O)NCC[N@@H+]2CCOC[C@@H]2C)CCCC1 ZINC000663989670 412999669 /nfs/dbraw/zinc/99/96/69/412999669.db2.gz CXGWGYAPGDGEJJ-AWEZNQCLSA-N 1 2 295.427 1.895 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)C[C@@](C)(O)C(F)(F)F)C1=O ZINC000281308367 195190575 /nfs/dbraw/zinc/19/05/75/195190575.db2.gz KIQODBKLGKBERB-GXSJLCMTSA-N 1 2 280.290 1.018 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)C[C@@](C)(O)C(F)(F)F)C1=O ZINC000281308367 195190576 /nfs/dbraw/zinc/19/05/76/195190576.db2.gz KIQODBKLGKBERB-GXSJLCMTSA-N 1 2 280.290 1.018 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)Cc1[nH+]ccn1C ZINC000281480687 195258996 /nfs/dbraw/zinc/25/89/96/195258996.db2.gz HYVJSYDHCJFHRH-TZMCWYRMSA-N 1 2 292.383 1.543 20 30 CDEDLO C[C@@H]1SCC[N@H+](CC(=O)NCC#N)[C@H]1c1ccccc1 ZINC000118422555 390629814 /nfs/dbraw/zinc/62/98/14/390629814.db2.gz JDAWOLKMGYVJOD-SWLSCSKDSA-N 1 2 289.404 1.805 20 30 CDEDLO C[C@@H]1SCC[N@@H+](CC(=O)NCC#N)[C@H]1c1ccccc1 ZINC000118422555 390629816 /nfs/dbraw/zinc/62/98/16/390629816.db2.gz JDAWOLKMGYVJOD-SWLSCSKDSA-N 1 2 289.404 1.805 20 30 CDEDLO NC(CCO)=[NH+]OCc1ccc(F)c(Br)c1 ZINC000136072201 390940894 /nfs/dbraw/zinc/94/08/94/390940894.db2.gz MAWGIOYFDNXCCD-UHFFFAOYSA-N 1 2 291.120 1.759 20 30 CDEDLO Cc1ccc(-c2cc(CO[NH+]=C(N)CCO)on2)cc1 ZINC000136064516 390941041 /nfs/dbraw/zinc/94/10/41/390941041.db2.gz LIKXIFGMDSAYON-UHFFFAOYSA-N 1 2 275.308 1.821 20 30 CDEDLO C=CC[N@@H+](CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000171749063 390945239 /nfs/dbraw/zinc/94/52/39/390945239.db2.gz XXQBXJSUYIDKSG-LBPRGKRZSA-N 1 2 275.414 1.477 20 30 CDEDLO C=CC[N@H+](CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000171749063 390945240 /nfs/dbraw/zinc/94/52/40/390945240.db2.gz XXQBXJSUYIDKSG-LBPRGKRZSA-N 1 2 275.414 1.477 20 30 CDEDLO N#CCCN(CCC#N)Cc1cn2ccccc2[nH+]1 ZINC000121979465 390895012 /nfs/dbraw/zinc/89/50/12/390895012.db2.gz LACANAFBPGTNAK-UHFFFAOYSA-N 1 2 253.309 1.964 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCOC2(CCC2)C1)C1CC1 ZINC000154190418 390912011 /nfs/dbraw/zinc/91/20/11/390912011.db2.gz HMKCJJUKDJXLGW-AWEZNQCLSA-N 1 2 277.368 1.050 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCOC2(CCC2)C1)C1CC1 ZINC000154190418 390912012 /nfs/dbraw/zinc/91/20/12/390912012.db2.gz HMKCJJUKDJXLGW-AWEZNQCLSA-N 1 2 277.368 1.050 20 30 CDEDLO C[C@@H]1[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CCOC1(C)C ZINC000408322567 390921897 /nfs/dbraw/zinc/92/18/97/390921897.db2.gz VCNHWFGDXKVZQG-NHYWBVRUSA-N 1 2 279.384 1.294 20 30 CDEDLO C[C@@H]1[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CCOC1(C)C ZINC000408322567 390921898 /nfs/dbraw/zinc/92/18/98/390921898.db2.gz VCNHWFGDXKVZQG-NHYWBVRUSA-N 1 2 279.384 1.294 20 30 CDEDLO C=CC[NH+]1CCC(Nc2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000647449507 390960517 /nfs/dbraw/zinc/96/05/17/390960517.db2.gz HKMAUWJPISIQON-UHFFFAOYSA-N 1 2 261.325 1.842 20 30 CDEDLO C=CCn1cc(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)nn1 ZINC000648411099 390994857 /nfs/dbraw/zinc/99/48/57/390994857.db2.gz WANFTYDJDAJGBS-ZJUUUORDSA-N 1 2 272.312 1.096 20 30 CDEDLO [O-]C(NC[C@@H]1CCSC1)=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329541010 391009338 /nfs/dbraw/zinc/00/93/38/391009338.db2.gz DGHMQCSZUPLKRU-VHSXEESVSA-N 1 2 280.397 1.524 20 30 CDEDLO C#C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000185295088 391052694 /nfs/dbraw/zinc/05/26/94/391052694.db2.gz CAYALAWIRYPNAR-UKRRQHHQSA-N 1 2 288.416 1.914 20 30 CDEDLO C#C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C(C)C ZINC000491404943 391112815 /nfs/dbraw/zinc/11/28/15/391112815.db2.gz FPWRRBFWBPYPLP-GJZGRUSLSA-N 1 2 293.411 1.150 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCO[C@@H](C2CCC2)C1)C1CC1 ZINC000334041228 391127088 /nfs/dbraw/zinc/12/70/88/391127088.db2.gz OLLWTMYNLZITCP-GDBMZVCRSA-N 1 2 291.395 1.296 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCO[C@@H](C2CCC2)C1)C1CC1 ZINC000334041228 391127090 /nfs/dbraw/zinc/12/70/90/391127090.db2.gz OLLWTMYNLZITCP-GDBMZVCRSA-N 1 2 291.395 1.296 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1oncc1C(=O)OC ZINC000352412026 391128194 /nfs/dbraw/zinc/12/81/94/391128194.db2.gz BDNIUZGFFPFSBS-UHFFFAOYSA-N 1 2 254.286 1.096 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1oncc1C(=O)OC ZINC000352412026 391128198 /nfs/dbraw/zinc/12/81/98/391128198.db2.gz BDNIUZGFFPFSBS-UHFFFAOYSA-N 1 2 254.286 1.096 20 30 CDEDLO CO[C@]1(C)CCCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000329998853 533361417 /nfs/dbraw/zinc/36/14/17/533361417.db2.gz SZSFNDLUMYEBSL-DZGCQCFKSA-N 1 2 299.415 1.122 20 30 CDEDLO CO[C@]1(C)CCCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000329998853 533361424 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COCc1ccc(NC(=O)NCCn2cc[nH+]c2)cc1C#N ZINC000529218452 393038111 /nfs/dbraw/zinc/03/81/11/393038111.db2.gz SGOGTGMEYCGNKY-UHFFFAOYSA-N 1 2 299.334 1.723 20 30 CDEDLO CCN1CCN(c2cnccc2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000530427524 393052061 /nfs/dbraw/zinc/05/20/61/393052061.db2.gz KGVSWGLCRXQIBU-AWEZNQCLSA-N 1 2 282.351 1.560 20 30 CDEDLO Cn1cc(C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)cc1C#N ZINC000191608984 140136418 /nfs/dbraw/zinc/13/64/18/140136418.db2.gz GWKYNNBHEJVGHP-AWEZNQCLSA-N 1 2 286.310 1.352 20 30 CDEDLO CCC#C[C@@H](C)[N@@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000650099780 397719942 /nfs/dbraw/zinc/71/99/42/397719942.db2.gz LTMOPDWTFQVHLB-ZIAGYGMSSA-N 1 2 269.410 1.689 20 30 CDEDLO CCC#C[C@@H](C)[N@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000650099780 397719945 /nfs/dbraw/zinc/71/99/45/397719945.db2.gz LTMOPDWTFQVHLB-ZIAGYGMSSA-N 1 2 269.410 1.689 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc(C#N)s2)C1 ZINC000334170861 149327190 /nfs/dbraw/zinc/32/71/90/149327190.db2.gz BHCPPKPYAOSSGV-SNVBAGLBSA-N 1 2 286.360 1.983 20 30 CDEDLO Cn1c[nH+]cc1CS(=O)(=O)Cc1cccc(C#N)c1 ZINC000344012983 152389380 /nfs/dbraw/zinc/38/93/80/152389380.db2.gz NQENLZOZQNRRSA-UHFFFAOYSA-N 1 2 275.333 1.407 20 30 CDEDLO N#Cc1cc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c[nH]1 ZINC000346743122 153291352 /nfs/dbraw/zinc/29/13/52/153291352.db2.gz NFYSHSVKRXNPJE-AWEZNQCLSA-N 1 2 282.303 1.575 20 30 CDEDLO N#Cc1cccc(F)c1CC(=O)NCCc1[nH]cc[nH+]1 ZINC000352732629 155398339 /nfs/dbraw/zinc/39/83/39/155398339.db2.gz OODOAZZBUBBFGJ-UHFFFAOYSA-N 1 2 272.283 1.322 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(F)c(C#N)c1 ZINC000349899836 154263485 /nfs/dbraw/zinc/26/34/85/154263485.db2.gz YUPRYCYZIFAKIU-JTQLQIEISA-N 1 2 272.283 1.712 20 30 CDEDLO CC#CC[NH2+]Cc1cn(-c2cccc(F)c2C)nn1 ZINC000656451030 413306028 /nfs/dbraw/zinc/30/60/28/413306028.db2.gz HJXYOZPUQOGVIR-UHFFFAOYSA-N 1 2 258.300 1.828 20 30 CDEDLO N#Cc1ccc2c(c1)[C@@H]([NH2+]CC(F)(F)CO)CC2 ZINC000353666705 156000035 /nfs/dbraw/zinc/00/00/35/156000035.db2.gz RPVJGORVSPSZAD-LBPRGKRZSA-N 1 2 252.264 1.763 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)NCC(=O)c1ccc(C#N)cc1 ZINC000356179734 157385837 /nfs/dbraw/zinc/38/58/37/157385837.db2.gz HQPCWZYQYBQVJN-UHFFFAOYSA-N 1 2 296.330 1.223 20 30 CDEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329776482 298243937 /nfs/dbraw/zinc/24/39/37/298243937.db2.gz ODZLMJKMHQQMLY-IEBDPFPHSA-N 1 2 267.329 1.271 20 30 CDEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329776482 298243941 /nfs/dbraw/zinc/24/39/41/298243941.db2.gz ODZLMJKMHQQMLY-IEBDPFPHSA-N 1 2 267.329 1.271 20 30 CDEDLO C=CC[C@@H]1CCCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000656543422 413410881 /nfs/dbraw/zinc/41/08/81/413410881.db2.gz DMQDIACKLIIRKG-CYBMUJFWSA-N 1 2 262.357 1.881 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH+](C3CCC3)CC2)cc1O ZINC000408424780 160772081 /nfs/dbraw/zinc/77/20/81/160772081.db2.gz DCQWEZXCIPFKKO-UHFFFAOYSA-N 1 2 285.347 1.574 20 30 CDEDLO COc1cc(CN2CCn3cc[nH+]c3C2)ccc1C#N ZINC000235002990 165046511 /nfs/dbraw/zinc/04/65/11/165046511.db2.gz LXOZTBRGUQHHNZ-UHFFFAOYSA-N 1 2 268.320 1.779 20 30 CDEDLO C=CCn1cc(CN[C@H]2CCCn3cc[nH+]c32)nn1 ZINC000655776628 412486245 /nfs/dbraw/zinc/48/62/45/412486245.db2.gz KUTAGZHQCIRMRL-LBPRGKRZSA-N 1 2 258.329 1.285 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2cccnc2OCC)nn1 ZINC000657306715 414147509 /nfs/dbraw/zinc/14/75/09/414147509.db2.gz SUZZNPMPWASFJW-UHFFFAOYSA-N 1 2 287.367 1.938 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000043507529 175059804 /nfs/dbraw/zinc/05/98/04/175059804.db2.gz CXCSJEAOQSMEKO-UHFFFAOYSA-N 1 2 257.337 1.778 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000044809620 175257366 /nfs/dbraw/zinc/25/73/66/175257366.db2.gz UYVLIUAKNLBPOB-CYBMUJFWSA-N 1 2 257.337 1.490 20 30 CDEDLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000346972937 226001440 /nfs/dbraw/zinc/00/14/40/226001440.db2.gz NYRLZGWVHYUYIR-GFCCVEGCSA-N 1 2 272.352 1.637 20 30 CDEDLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000346972937 226001446 /nfs/dbraw/zinc/00/14/46/226001446.db2.gz NYRLZGWVHYUYIR-GFCCVEGCSA-N 1 2 272.352 1.637 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@@](C)(F)C1)C1CC1 ZINC000347383091 226142447 /nfs/dbraw/zinc/14/24/47/226142447.db2.gz NSVPVIHRFHULDD-CHWSQXEVSA-N 1 2 253.321 1.229 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@@](C)(F)C1)C1CC1 ZINC000347383091 226142449 /nfs/dbraw/zinc/14/24/49/226142449.db2.gz NSVPVIHRFHULDD-CHWSQXEVSA-N 1 2 253.321 1.229 20 30 CDEDLO CO[C@H]1C[C@@H](C(=O)Nc2cnc(C)s2)[N@H+](C)C1 ZINC000329007135 227256257 /nfs/dbraw/zinc/25/62/57/227256257.db2.gz ZHEOBCFDRUKBPE-IUCAKERBSA-N 1 2 255.343 1.759 20 30 CDEDLO CO[C@H]1C[C@@H](C(=O)Nc2cnc(C)s2)[N@@H+](C)C1 ZINC000329007135 227256262 /nfs/dbraw/zinc/25/62/62/227256262.db2.gz ZHEOBCFDRUKBPE-IUCAKERBSA-N 1 2 255.343 1.759 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc2c(c1)COC2 ZINC000329103057 227298189 /nfs/dbraw/zinc/29/81/89/227298189.db2.gz NMZDUDZPEZFKOJ-GFCCVEGCSA-N 1 2 290.363 1.742 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc2c(c1)COC2 ZINC000329103057 227298192 /nfs/dbraw/zinc/29/81/92/227298192.db2.gz NMZDUDZPEZFKOJ-GFCCVEGCSA-N 1 2 290.363 1.742 20 30 CDEDLO Cc1nnccc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330121699 228044165 /nfs/dbraw/zinc/04/41/65/228044165.db2.gz JUIBYNQAWKRDCV-UHFFFAOYSA-N 1 2 286.339 1.933 20 30 CDEDLO CC1CCC(OCC(=O)N[C@](C)(C#N)C[NH+](C)C)CC1 ZINC000517945383 260323664 /nfs/dbraw/zinc/32/36/64/260323664.db2.gz WSOODLWMCSZDCB-SSDMNJCBSA-N 1 2 281.400 1.542 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)c1ncc2c(c1C#N)CCC2 ZINC000518172733 260348576 /nfs/dbraw/zinc/34/85/76/260348576.db2.gz XKGFDTMQIOVZBC-UHFFFAOYSA-N 1 2 253.309 1.801 20 30 CDEDLO COc1ncc[nH+]c1NNC=C1C(=O)CC(C)(C)CC1=O ZINC000156756010 261131660 /nfs/dbraw/zinc/13/16/60/261131660.db2.gz TZCXXZKZHLIJQH-UHFFFAOYSA-N 1 2 290.323 1.244 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCn2cccc2[C@H]1C ZINC000249720535 261259472 /nfs/dbraw/zinc/25/94/72/261259472.db2.gz MBNMHSAUJIVRQD-ZIAGYGMSSA-N 1 2 288.395 1.873 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCn2cccc2[C@H]1C ZINC000249720535 261259475 /nfs/dbraw/zinc/25/94/75/261259475.db2.gz MBNMHSAUJIVRQD-ZIAGYGMSSA-N 1 2 288.395 1.873 20 30 CDEDLO C[N@@H+](CC#N)CCCCCn1nnc(-c2ccccc2)n1 ZINC000104680833 261298078 /nfs/dbraw/zinc/29/80/78/261298078.db2.gz MGSWFGGJWZIOEY-UHFFFAOYSA-N 1 2 284.367 1.966 20 30 CDEDLO C[N@H+](CC#N)CCCCCn1nnc(-c2ccccc2)n1 ZINC000104680833 261298079 /nfs/dbraw/zinc/29/80/79/261298079.db2.gz MGSWFGGJWZIOEY-UHFFFAOYSA-N 1 2 284.367 1.966 20 30 CDEDLO C=CC[N@@H+](CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000108871259 262064643 /nfs/dbraw/zinc/06/46/43/262064643.db2.gz SASDNIVDIMQQCU-GFCCVEGCSA-N 1 2 261.387 1.087 20 30 CDEDLO C=CC[N@H+](CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000108871259 262064645 /nfs/dbraw/zinc/06/46/45/262064645.db2.gz SASDNIVDIMQQCU-GFCCVEGCSA-N 1 2 261.387 1.087 20 30 CDEDLO N#C[C@H]1CN(Cc2c[nH+]c3ccc(Cl)cn23)CCO1 ZINC000271176490 262994188 /nfs/dbraw/zinc/99/41/88/262994188.db2.gz UNSBYYSQRCBTCB-LBPRGKRZSA-N 1 2 276.727 1.712 20 30 CDEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000276267830 263035479 /nfs/dbraw/zinc/03/54/79/263035479.db2.gz CIFHEUKZRVGHQZ-ZDUSSCGKSA-N 1 2 287.363 1.842 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@]1(C#N)CCC[C@H](C)C1 ZINC000279457204 263055585 /nfs/dbraw/zinc/05/55/85/263055585.db2.gz ONYVUZDKDZJDID-IINYFYTJSA-N 1 2 260.341 1.849 20 30 CDEDLO Cc1[nH]c[nH+]c1CC(=O)N[C@]1(C#N)CCC[C@H](C)C1 ZINC000279457204 263055586 /nfs/dbraw/zinc/05/55/86/263055586.db2.gz ONYVUZDKDZJDID-IINYFYTJSA-N 1 2 260.341 1.849 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCc2cnnn2C)ccc1F ZINC000289356869 263109540 /nfs/dbraw/zinc/10/95/40/263109540.db2.gz ICKVIUSQMMOBTG-UHFFFAOYSA-N 1 2 263.276 1.100 20 30 CDEDLO C=CCN(CCC#N)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000292490674 263132818 /nfs/dbraw/zinc/13/28/18/263132818.db2.gz RDXGVRIPEADYAK-UHFFFAOYSA-N 1 2 268.320 1.805 20 30 CDEDLO C#CCCCCC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000120050897 263281855 /nfs/dbraw/zinc/28/18/55/263281855.db2.gz CFQGYVXSJKHXKU-AWEZNQCLSA-N 1 2 271.364 1.970 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000340998419 263315922 /nfs/dbraw/zinc/31/59/22/263315922.db2.gz NATHFRVMQHNJNE-QWHCGFSZSA-N 1 2 260.341 1.127 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000340998419 263315924 /nfs/dbraw/zinc/31/59/24/263315924.db2.gz NATHFRVMQHNJNE-QWHCGFSZSA-N 1 2 260.341 1.127 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2nc(C)no2)CC1 ZINC000341980988 263370166 /nfs/dbraw/zinc/37/01/66/263370166.db2.gz QJGQGAVRCDZHIG-UHFFFAOYSA-N 1 2 250.302 1.130 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2cn3cccnc3n2)CC1 ZINC000341999970 263374701 /nfs/dbraw/zinc/37/47/01/263374701.db2.gz WEFHKJYXGLFKDM-UHFFFAOYSA-N 1 2 285.351 1.481 20 30 CDEDLO O=C(N[C@H]1CC[C@H](CO)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328849669 263879460 /nfs/dbraw/zinc/87/94/60/263879460.db2.gz YUMLUIMAUNFVFS-AVGNSLFASA-N 1 2 277.368 1.953 20 30 CDEDLO CCCNC(=O)NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000330781758 264052648 /nfs/dbraw/zinc/05/26/48/264052648.db2.gz OTUQAJYZBIJUDM-UHFFFAOYSA-N 1 2 266.345 1.052 20 30 CDEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)Nc1ncccn1 ZINC000330866430 264057610 /nfs/dbraw/zinc/05/76/10/264057610.db2.gz XRHMMOJBPMKWKB-GARJFASQSA-N 1 2 259.313 1.085 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C1=CCCC1 ZINC000330962575 264089213 /nfs/dbraw/zinc/08/92/13/264089213.db2.gz CKYUCQCHPSJJQO-UHFFFAOYSA-N 1 2 277.368 1.171 20 30 CDEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000330963007 264089698 /nfs/dbraw/zinc/08/96/98/264089698.db2.gz GLHTVCMIKMXGBP-NWDGAFQWSA-N 1 2 280.372 1.384 20 30 CDEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000330963007 264089701 /nfs/dbraw/zinc/08/97/01/264089701.db2.gz GLHTVCMIKMXGBP-NWDGAFQWSA-N 1 2 280.372 1.384 20 30 CDEDLO CN(C)c1ccc(CNC(=O)NC2(CO)CCCC2)c[nH+]1 ZINC000331027476 264099919 /nfs/dbraw/zinc/09/99/19/264099919.db2.gz WBMURUCAPNAZMJ-UHFFFAOYSA-N 1 2 292.383 1.456 20 30 CDEDLO CC(=O)N1CC[NH+](CCNC(=O)c2cscc2C)CC1 ZINC000331100388 264123462 /nfs/dbraw/zinc/12/34/62/264123462.db2.gz FNYFTKCKCRNNOK-UHFFFAOYSA-N 1 2 295.408 1.525 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000424856280 264232483 /nfs/dbraw/zinc/23/24/83/264232483.db2.gz POBROVAIZLSSLA-ZDUSSCGKSA-N 1 2 268.401 1.768 20 30 CDEDLO Cc1ccc(CN2CC[C@@H]([NH2+]CCC#N)C2=O)cc1 ZINC000583317779 424260174 /nfs/dbraw/zinc/26/01/74/424260174.db2.gz XTULREFOZZVXAQ-CQSZACIVSA-N 1 2 257.337 1.599 20 30 CDEDLO C=CCCC1(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000356227944 266077598 /nfs/dbraw/zinc/07/75/98/266077598.db2.gz SCRXDCIWPZPSFA-CABCVRRESA-N 1 2 292.423 1.912 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000356487191 266124436 /nfs/dbraw/zinc/12/44/36/266124436.db2.gz YXMQSLYHJRFAEU-VNHYZAJKSA-N 1 2 278.400 1.911 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000356487191 266124437 /nfs/dbraw/zinc/12/44/37/266124437.db2.gz YXMQSLYHJRFAEU-VNHYZAJKSA-N 1 2 278.400 1.911 20 30 CDEDLO Cn1c(CC#N)nnc1SCCCn1cc[nH+]c1 ZINC000357109096 266249809 /nfs/dbraw/zinc/24/98/09/266249809.db2.gz WBLYIMMSFYOPBM-UHFFFAOYSA-N 1 2 262.342 1.260 20 30 CDEDLO CNC(=O)C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000369803767 267267506 /nfs/dbraw/zinc/26/75/06/267267506.db2.gz OOODRISUXKQDET-ZIAGYGMSSA-N 1 2 257.337 1.504 20 30 CDEDLO CNC(=O)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000369803767 267267509 /nfs/dbraw/zinc/26/75/09/267267509.db2.gz OOODRISUXKQDET-ZIAGYGMSSA-N 1 2 257.337 1.504 20 30 CDEDLO CCOC(=O)c1nn(C)cc1C[NH2+]CC1(C#N)CCC1 ZINC000418144330 267364994 /nfs/dbraw/zinc/36/49/94/267364994.db2.gz STLKUQYWEQEKBU-UHFFFAOYSA-N 1 2 276.340 1.380 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@](O)(CO)C1 ZINC000313628030 270325438 /nfs/dbraw/zinc/32/54/38/270325438.db2.gz NDSLZBYDTDGZFR-CQSZACIVSA-N 1 2 264.300 1.017 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000313628030 270325439 /nfs/dbraw/zinc/32/54/39/270325439.db2.gz NDSLZBYDTDGZFR-CQSZACIVSA-N 1 2 264.300 1.017 20 30 CDEDLO C[C@@H]1CN(C(=O)c2cc(C#N)cs2)C[C@H](C)[N@H+]1CCO ZINC000456211399 288014923 /nfs/dbraw/zinc/01/49/23/288014923.db2.gz NYSUXCUEQUZPNY-PHIMTYICSA-N 1 2 293.392 1.147 20 30 CDEDLO C[C@@H]1CN(C(=O)c2cc(C#N)cs2)C[C@H](C)[N@@H+]1CCO ZINC000456211399 288014928 /nfs/dbraw/zinc/01/49/28/288014928.db2.gz NYSUXCUEQUZPNY-PHIMTYICSA-N 1 2 293.392 1.147 20 30 CDEDLO C[C@H](O)C[C@H]1COCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000157189418 278299224 /nfs/dbraw/zinc/29/92/24/278299224.db2.gz PPRJGDKUYZSMKB-FZMZJTMJSA-N 1 2 278.327 1.669 20 30 CDEDLO C[C@H](O)C[C@H]1COCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000157189418 278299225 /nfs/dbraw/zinc/29/92/25/278299225.db2.gz PPRJGDKUYZSMKB-FZMZJTMJSA-N 1 2 278.327 1.669 20 30 CDEDLO Cc1nc(N2CC[NH+](C)CC2)c(Cl)cc1C#N ZINC000290902559 279091669 /nfs/dbraw/zinc/09/16/69/279091669.db2.gz FFBNYPSLBJYRPM-UHFFFAOYSA-N 1 2 250.733 1.667 20 30 CDEDLO Cc1nsc(N2CC[NH+]([C@H]3CCOC3)CC2)c1C#N ZINC000286241381 279264214 /nfs/dbraw/zinc/26/42/14/279264214.db2.gz OSANEBHZMCVADP-NSHDSACASA-N 1 2 278.381 1.234 20 30 CDEDLO N#Cc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000548645485 289910425 /nfs/dbraw/zinc/91/04/25/289910425.db2.gz GXMSNDJQVZKRFL-SECBINFHSA-N 1 2 272.333 1.561 20 30 CDEDLO C[C@H](C(=O)Nc1ccc(F)c(C#N)c1)[NH+]1CC(C)C1 ZINC000561225605 293066881 /nfs/dbraw/zinc/06/68/81/293066881.db2.gz PWSYZRLVJDNWPA-SNVBAGLBSA-N 1 2 261.300 1.976 20 30 CDEDLO N#Cc1cccc(CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000568637591 294074079 /nfs/dbraw/zinc/07/40/79/294074079.db2.gz SSRZIRSPAGVZOP-HNNXBMFYSA-N 1 2 294.358 1.676 20 30 CDEDLO N#Cc1cc(Cl)ccc1CO[NH+]=C(N)CCO ZINC000186790794 327854431 /nfs/dbraw/zinc/85/44/31/327854431.db2.gz GYJJYDIYTFKHHB-UHFFFAOYSA-N 1 2 253.689 1.383 20 30 CDEDLO N#Cc1cnn2cc(C[N@@H+]3CCOCC34CCCC4)cnc12 ZINC000577514837 317346823 /nfs/dbraw/zinc/34/68/23/317346823.db2.gz KANVZWIVXGWCRF-UHFFFAOYSA-N 1 2 297.362 1.746 20 30 CDEDLO N#Cc1cnn2cc(C[N@H+]3CCOCC34CCCC4)cnc12 ZINC000577514837 317346827 /nfs/dbraw/zinc/34/68/27/317346827.db2.gz KANVZWIVXGWCRF-UHFFFAOYSA-N 1 2 297.362 1.746 20 30 CDEDLO COc1ccc(CC(N)=[NH+]OCc2nc(C)no2)cc1 ZINC000266242247 328168482 /nfs/dbraw/zinc/16/84/82/328168482.db2.gz AAXHUDCDDCVPKG-UHFFFAOYSA-N 1 2 276.296 1.418 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC(=O)Nc1ccccc1 ZINC000582674215 329123572 /nfs/dbraw/zinc/12/35/72/329123572.db2.gz GOHWZEJZTAJLGA-LLVKDONJSA-N 1 2 274.324 1.617 20 30 CDEDLO CCOc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)CCO)cc1 ZINC000275525981 328215237 /nfs/dbraw/zinc/21/52/37/328215237.db2.gz PROMBLUQHCVAQO-JTQLQIEISA-N 1 2 295.339 1.084 20 30 CDEDLO Cc1cc(NC(=O)C[N@@H+](C)[C@@H](C)CCC#N)no1 ZINC000276353989 328217775 /nfs/dbraw/zinc/21/77/75/328217775.db2.gz WYDNIWMWJYSBCL-VIFPVBQESA-N 1 2 250.302 1.546 20 30 CDEDLO Cc1cc(NC(=O)C[N@H+](C)[C@@H](C)CCC#N)no1 ZINC000276353989 328217777 /nfs/dbraw/zinc/21/77/77/328217777.db2.gz WYDNIWMWJYSBCL-VIFPVBQESA-N 1 2 250.302 1.546 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1C/[NH+]=C/c1c(CO)cnc(C)c1O ZINC000281479504 328239679 /nfs/dbraw/zinc/23/96/79/328239679.db2.gz DBYHUEWNSJLHJU-GXFCNFHMSA-N 1 2 290.363 1.988 20 30 CDEDLO CC(C)c1nnc(CO[NH+]=C(N)[C@H]2CCCO2)o1 ZINC000284606073 328246393 /nfs/dbraw/zinc/24/63/93/328246393.db2.gz YTKAJPQVSMHJCU-MRVPVSSYSA-N 1 2 254.290 1.161 20 30 CDEDLO N#CCCCC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000292583729 328272127 /nfs/dbraw/zinc/27/21/27/328272127.db2.gz LERMBIYHQAXPER-UHFFFAOYSA-N 1 2 288.351 1.228 20 30 CDEDLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000185112199 323381989 /nfs/dbraw/zinc/38/19/89/323381989.db2.gz OCTKQHFEBUASPT-XTZNXHDOSA-N 1 2 268.357 1.896 20 30 CDEDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000185112199 323381994 /nfs/dbraw/zinc/38/19/94/323381994.db2.gz OCTKQHFEBUASPT-XTZNXHDOSA-N 1 2 268.357 1.896 20 30 CDEDLO N#Cc1cc(NCc2cn3ccccc3[nH+]2)ncn1 ZINC000584031122 325287426 /nfs/dbraw/zinc/28/74/26/325287426.db2.gz LADUPMVCMPPQNK-UHFFFAOYSA-N 1 2 250.265 1.030 20 30 CDEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(Cl)cc2CC#N)C1 ZINC000521066722 327149595 /nfs/dbraw/zinc/14/95/95/327149595.db2.gz NVNJCSJULNIWBX-CYBMUJFWSA-N 1 2 293.754 1.675 20 30 CDEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(Cl)cc2CC#N)C1 ZINC000521066722 327149596 /nfs/dbraw/zinc/14/95/96/327149596.db2.gz NVNJCSJULNIWBX-CYBMUJFWSA-N 1 2 293.754 1.675 20 30 CDEDLO C[C@@H](CCC#N)[NH+]1CCC(CS(C)(=O)=O)CC1 ZINC000518541964 327173557 /nfs/dbraw/zinc/17/35/57/327173557.db2.gz FGXWFIANAONGGK-NSHDSACASA-N 1 2 258.387 1.435 20 30 CDEDLO Cc1cccc(CNC(=O)C[NH+]2CCC(C#N)CC2)c1 ZINC000111209673 327277505 /nfs/dbraw/zinc/27/75/05/327277505.db2.gz JYHRPBIDGMSWHW-UHFFFAOYSA-N 1 2 271.364 1.847 20 30 CDEDLO N#C[C@]1(C(=O)N2CC(n3cc[nH+]c3)C2)CC12CCCC2 ZINC000562521351 327488275 /nfs/dbraw/zinc/48/82/75/327488275.db2.gz NEPIXIQJCQOHOX-HNNXBMFYSA-N 1 2 270.336 1.740 20 30 CDEDLO C#CCCCNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000371043581 328952474 /nfs/dbraw/zinc/95/24/74/328952474.db2.gz NSXKEMJXGAVRJN-LBPRGKRZSA-N 1 2 260.341 1.332 20 30 CDEDLO C=CCCCC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000175705633 329168161 /nfs/dbraw/zinc/16/81/61/329168161.db2.gz GFTVPWXCIDKNEX-ZDUSSCGKSA-N 1 2 253.390 1.095 20 30 CDEDLO C#CCNC(=O)N(CCCCCC)CC[NH+]1CCOCC1 ZINC000105064216 329334864 /nfs/dbraw/zinc/33/48/64/329334864.db2.gz LPVXJQNNPWNFGW-UHFFFAOYSA-N 1 2 295.427 1.544 20 30 CDEDLO Cc1cc(CNS(=O)(=O)N(C)[C@H](C)CC#N)cc(C)[nH+]1 ZINC000420696234 329781800 /nfs/dbraw/zinc/78/18/00/329781800.db2.gz GREJKUOTMSTNMB-GFCCVEGCSA-N 1 2 296.396 1.267 20 30 CDEDLO CC[C@@H]1C[NH+]([C@H](C)C(=O)NC2(C#N)CCC2)C[C@@H](CC)O1 ZINC000420958136 329791385 /nfs/dbraw/zinc/79/13/85/329791385.db2.gz OXWQFOOTPADNIB-MGPQQGTHSA-N 1 2 293.411 1.827 20 30 CDEDLO CC#CCC[N@H+](CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C ZINC000274134333 330103798 /nfs/dbraw/zinc/10/37/98/330103798.db2.gz FSFREZAYKDWZHM-ZDUSSCGKSA-N 1 2 296.411 1.568 20 30 CDEDLO CC#CCC[N@@H+](CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C ZINC000274134333 330103800 /nfs/dbraw/zinc/10/38/00/330103800.db2.gz FSFREZAYKDWZHM-ZDUSSCGKSA-N 1 2 296.411 1.568 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2nc3ccccc3n2C)nn1 ZINC000424168970 330310482 /nfs/dbraw/zinc/31/04/82/330310482.db2.gz HCBIALZXMOHIKA-UHFFFAOYSA-N 1 2 282.351 1.641 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cnc3cc(C)ccn23)nn1 ZINC000424175205 330315284 /nfs/dbraw/zinc/31/52/84/330315284.db2.gz SXDQKRVCNDRCOZ-UHFFFAOYSA-N 1 2 282.351 1.710 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2c(Cl)cnn2C)nn1 ZINC000424176854 330317313 /nfs/dbraw/zinc/31/73/13/330317313.db2.gz YTGYCWKGERAKKC-UHFFFAOYSA-N 1 2 266.736 1.141 20 30 CDEDLO N#C[C@H]1N(CC[NH+]2CCOCC2)CCC[C@]12CCCCO2 ZINC000447908130 330879842 /nfs/dbraw/zinc/87/98/42/330879842.db2.gz UNBBSVDCEBXQQV-HZPDHXFCSA-N 1 2 293.411 1.246 20 30 CDEDLO C=CCC[C@H](CO)Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000450896446 331005531 /nfs/dbraw/zinc/00/55/31/331005531.db2.gz NGPQXDHOAFNYRD-GFCCVEGCSA-N 1 2 294.424 1.769 20 30 CDEDLO C=CCC[C@H](CO)Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000450896446 331005532 /nfs/dbraw/zinc/00/55/32/331005532.db2.gz NGPQXDHOAFNYRD-GFCCVEGCSA-N 1 2 294.424 1.769 20 30 CDEDLO CCN(CCC#N)S(=O)(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000451548421 331033738 /nfs/dbraw/zinc/03/37/38/331033738.db2.gz NASVSUKVLOPPEE-NSHDSACASA-N 1 2 299.400 1.177 20 30 CDEDLO COCCN(CC#N)Cc1c[nH+]c2ccc(Cl)cn12 ZINC000453600680 331135905 /nfs/dbraw/zinc/13/59/05/331135905.db2.gz RTDWUCLGCCUOLN-UHFFFAOYSA-N 1 2 278.743 1.960 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000456766992 331201749 /nfs/dbraw/zinc/20/17/49/331201749.db2.gz JFWCGFPLCFZYJM-MRXNPFEDSA-N 1 2 299.374 1.988 20 30 CDEDLO C=C(C)CCNC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000459010546 331266278 /nfs/dbraw/zinc/26/62/78/331266278.db2.gz WMYANKGRZHZAPE-HNNXBMFYSA-N 1 2 294.443 1.374 20 30 CDEDLO C=CCn1cccc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000488388899 332003366 /nfs/dbraw/zinc/00/33/66/332003366.db2.gz UJOCKUNIKWKIEU-UHFFFAOYSA-N 1 2 258.325 1.680 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000490715828 332108064 /nfs/dbraw/zinc/10/80/64/332108064.db2.gz ZLUKMZFTJPDDQX-GASCZTMLSA-N 1 2 260.381 1.449 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000490715828 332108065 /nfs/dbraw/zinc/10/80/65/332108065.db2.gz ZLUKMZFTJPDDQX-GASCZTMLSA-N 1 2 260.381 1.449 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000490842092 332119895 /nfs/dbraw/zinc/11/98/95/332119895.db2.gz YKZRKIMNCJYAPV-UHFFFAOYSA-N 1 2 287.319 1.439 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000490842092 332119896 /nfs/dbraw/zinc/11/98/96/332119896.db2.gz YKZRKIMNCJYAPV-UHFFFAOYSA-N 1 2 287.319 1.439 20 30 CDEDLO C#CCN(CC#N)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000490973975 332135009 /nfs/dbraw/zinc/13/50/09/332135009.db2.gz MRQYNNHYUNDEGI-UHFFFAOYSA-N 1 2 297.358 1.118 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cc2c(cc1OC)OCO2 ZINC000490986592 332136438 /nfs/dbraw/zinc/13/64/38/332136438.db2.gz UUXSNFQPTRNJBH-UHFFFAOYSA-N 1 2 257.289 1.492 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C)n2Cc2ccccc2)CC1 ZINC000491156343 332158553 /nfs/dbraw/zinc/15/85/53/332158553.db2.gz ZKHJLNVPVKQNHV-UHFFFAOYSA-N 1 2 295.390 1.390 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000491415389 332207615 /nfs/dbraw/zinc/20/76/15/332207615.db2.gz HFXKIVAIHDSLBY-NSHDSACASA-N 1 2 274.320 1.365 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000491415389 332207616 /nfs/dbraw/zinc/20/76/16/332207616.db2.gz HFXKIVAIHDSLBY-NSHDSACASA-N 1 2 274.320 1.365 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCCCOC1CCCCC1)C1CC1 ZINC000491420509 332208517 /nfs/dbraw/zinc/20/85/17/332208517.db2.gz YFHPRWWPHKWLSF-UHFFFAOYSA-N 1 2 292.423 1.940 20 30 CDEDLO C#CC[N@H+](CC(=O)NCCCOC1CCCCC1)C1CC1 ZINC000491420509 332208518 /nfs/dbraw/zinc/20/85/18/332208518.db2.gz YFHPRWWPHKWLSF-UHFFFAOYSA-N 1 2 292.423 1.940 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)c1ncc(Br)cn1 ZINC000491438521 332210942 /nfs/dbraw/zinc/21/09/42/332210942.db2.gz DCEQCLUIWGCJCC-MRVPVSSYSA-N 1 2 254.131 1.865 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)c1ncc(Br)cn1 ZINC000491438521 332210943 /nfs/dbraw/zinc/21/09/43/332210943.db2.gz DCEQCLUIWGCJCC-MRVPVSSYSA-N 1 2 254.131 1.865 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCC(=O)c1ccccc1)C1CC1 ZINC000491537971 332232947 /nfs/dbraw/zinc/23/29/47/332232947.db2.gz VOYXGLNXPASBKN-UHFFFAOYSA-N 1 2 270.332 1.083 20 30 CDEDLO C#CC[N@H+](CC(=O)NCC(=O)c1ccccc1)C1CC1 ZINC000491537971 332232948 /nfs/dbraw/zinc/23/29/48/332232948.db2.gz VOYXGLNXPASBKN-UHFFFAOYSA-N 1 2 270.332 1.083 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C[C@H]1Cc1ccccc1 ZINC000491542485 332233394 /nfs/dbraw/zinc/23/33/94/332233394.db2.gz AJIFETHQMSWECH-UKRRQHHQSA-N 1 2 256.349 1.741 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C[C@H]1Cc1ccccc1 ZINC000491542485 332233396 /nfs/dbraw/zinc/23/33/96/332233396.db2.gz AJIFETHQMSWECH-UKRRQHHQSA-N 1 2 256.349 1.741 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000491616136 332243473 /nfs/dbraw/zinc/24/34/73/332243473.db2.gz AHIAWQFEHXRXJU-AWEZNQCLSA-N 1 2 283.331 1.221 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000491616136 332243475 /nfs/dbraw/zinc/24/34/75/332243475.db2.gz AHIAWQFEHXRXJU-AWEZNQCLSA-N 1 2 283.331 1.221 20 30 CDEDLO C#C[C@@H](CC)NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000491661741 332271484 /nfs/dbraw/zinc/27/14/84/332271484.db2.gz PNHBZGKPZUDFLH-AWEZNQCLSA-N 1 2 287.363 1.055 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(OCC(=O)OC)cc1 ZINC000491670483 332277767 /nfs/dbraw/zinc/27/77/67/332277767.db2.gz QVPYBRSLZKVYCK-CQSZACIVSA-N 1 2 289.331 1.072 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(OCC(=O)OC)cc1 ZINC000491670483 332277768 /nfs/dbraw/zinc/27/77/68/332277768.db2.gz QVPYBRSLZKVYCK-CQSZACIVSA-N 1 2 289.331 1.072 20 30 CDEDLO C#C[C@H](CC)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000491709884 332301983 /nfs/dbraw/zinc/30/19/83/332301983.db2.gz RKFZSQKELRPCDA-LLVKDONJSA-N 1 2 258.312 1.492 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)NC2(CCCCC2)C1=O ZINC000491727345 332310520 /nfs/dbraw/zinc/31/05/20/332310520.db2.gz FTLBCKFUQWHUHQ-LLVKDONJSA-N 1 2 263.341 1.152 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)NC2(CCCCC2)C1=O ZINC000491727345 332310521 /nfs/dbraw/zinc/31/05/21/332310521.db2.gz FTLBCKFUQWHUHQ-LLVKDONJSA-N 1 2 263.341 1.152 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](O)COc1c(C)cccc1C ZINC000491759968 332331337 /nfs/dbraw/zinc/33/13/37/332331337.db2.gz OZUDPFNGVGLINX-JKSUJKDBSA-N 1 2 289.375 1.377 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](O)COc1c(C)cccc1C ZINC000491759968 332331338 /nfs/dbraw/zinc/33/13/38/332331338.db2.gz OZUDPFNGVGLINX-JKSUJKDBSA-N 1 2 289.375 1.377 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000491769217 332336426 /nfs/dbraw/zinc/33/64/26/332336426.db2.gz JZZFZJQYKKEBME-CQSZACIVSA-N 1 2 269.348 1.887 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000491769217 332336428 /nfs/dbraw/zinc/33/64/28/332336428.db2.gz JZZFZJQYKKEBME-CQSZACIVSA-N 1 2 269.348 1.887 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)N1CCc2ccccc21 ZINC000491777005 332342451 /nfs/dbraw/zinc/34/24/51/332342451.db2.gz CYUFBWOPXBICFV-OAHLLOKOSA-N 1 2 284.359 1.300 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)N1CCc2ccccc21 ZINC000491777005 332342452 /nfs/dbraw/zinc/34/24/52/332342452.db2.gz CYUFBWOPXBICFV-OAHLLOKOSA-N 1 2 284.359 1.300 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCCSc1ccc(C)cc1 ZINC000491784259 332347548 /nfs/dbraw/zinc/34/75/48/332347548.db2.gz SRUBDISFXSGJTQ-UHFFFAOYSA-N 1 2 276.405 1.768 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCCSc1ccc(C)cc1 ZINC000491784259 332347550 /nfs/dbraw/zinc/34/75/50/332347550.db2.gz SRUBDISFXSGJTQ-UHFFFAOYSA-N 1 2 276.405 1.768 20 30 CDEDLO C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000491794150 332354180 /nfs/dbraw/zinc/35/41/80/332354180.db2.gz OPWHYDKLBYSYEL-NSHDSACASA-N 1 2 284.319 1.109 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000192227175 333233228 /nfs/dbraw/zinc/23/32/28/333233228.db2.gz ZLSRILOWMIUVEX-ZDUSSCGKSA-N 1 2 256.349 1.919 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000192227175 333233230 /nfs/dbraw/zinc/23/32/30/333233230.db2.gz ZLSRILOWMIUVEX-ZDUSSCGKSA-N 1 2 256.349 1.919 20 30 CDEDLO C=CC[N@H+](Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000194704376 333275844 /nfs/dbraw/zinc/27/58/44/333275844.db2.gz XKAWHQZZZVOJDI-LLVKDONJSA-N 1 2 271.407 1.923 20 30 CDEDLO C=CC[N@@H+](Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000194704376 333275845 /nfs/dbraw/zinc/27/58/45/333275845.db2.gz XKAWHQZZZVOJDI-LLVKDONJSA-N 1 2 271.407 1.923 20 30 CDEDLO Cc1ccn2cc(CNC(=O)NC[C@H](C)C#N)[nH+]c2c1 ZINC000541019793 333759338 /nfs/dbraw/zinc/75/93/38/333759338.db2.gz VEIQJXUZCHIIOJ-LLVKDONJSA-N 1 2 271.324 1.602 20 30 CDEDLO N#CCC1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000548281980 334148675 /nfs/dbraw/zinc/14/86/75/334148675.db2.gz IIPMNRDTVTYHCJ-ZDUSSCGKSA-N 1 2 287.367 1.533 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCN(C)C(C)(C)C1 ZINC000550657222 334226402 /nfs/dbraw/zinc/22/64/02/334226402.db2.gz NPXMBRTXZJUJNZ-UHFFFAOYSA-N 1 2 265.401 1.213 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCN(C)C(C)(C)C1 ZINC000550657222 334226403 /nfs/dbraw/zinc/22/64/03/334226403.db2.gz NPXMBRTXZJUJNZ-UHFFFAOYSA-N 1 2 265.401 1.213 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1ccccc1 ZINC000564623755 334514197 /nfs/dbraw/zinc/51/41/97/334514197.db2.gz WZDJBZOSSONMTL-HNNXBMFYSA-N 1 2 259.353 1.579 20 30 CDEDLO C[C@H](OCc1ccccc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000565428998 334563059 /nfs/dbraw/zinc/56/30/59/334563059.db2.gz RTOOUDGTIBJOGO-BBRMVZONSA-N 1 2 289.379 1.552 20 30 CDEDLO Cc1cccc(O[C@@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000567008880 334672979 /nfs/dbraw/zinc/67/29/79/334672979.db2.gz FIWXSNDUSICCSS-BBRMVZONSA-N 1 2 289.379 1.722 20 30 CDEDLO CC[C@H](OC1CCCC1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000567592993 334738120 /nfs/dbraw/zinc/73/81/20/334738120.db2.gz NETKXGIGIMTHKJ-DZGCQCFKSA-N 1 2 281.400 1.684 20 30 CDEDLO N#CCc1ccc(C(=O)NCC2([NH+]3CCOCC3)CC2)cc1 ZINC000576853744 335256028 /nfs/dbraw/zinc/25/60/28/335256028.db2.gz FOEGAFFWRUBGJE-UHFFFAOYSA-N 1 2 299.374 1.347 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)/C=C(/C)C2CC2)C1 ZINC001753645627 1159866712 /nfs/dbraw/zinc/86/67/12/1159866712.db2.gz CDLYCIYFSYPMAZ-UQTJOTSZSA-N 1 2 264.369 1.346 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)/C=C(/C)C2CC2)C1 ZINC001753645627 1159866726 /nfs/dbraw/zinc/86/67/26/1159866726.db2.gz CDLYCIYFSYPMAZ-UQTJOTSZSA-N 1 2 264.369 1.346 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1CNc1[nH+]cnc2c1OCCN2 ZINC000665716449 482568978 /nfs/dbraw/zinc/56/89/78/482568978.db2.gz HFPYLXIYURLUAW-WDEREUQCSA-N 1 2 276.340 1.674 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1CNc1nc[nH+]c2c1OCCN2 ZINC000665716449 482568984 /nfs/dbraw/zinc/56/89/84/482568984.db2.gz HFPYLXIYURLUAW-WDEREUQCSA-N 1 2 276.340 1.674 20 30 CDEDLO CC#CCCNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000681542582 482898226 /nfs/dbraw/zinc/89/82/26/482898226.db2.gz ORTBIHGACXSILP-ZDUSSCGKSA-N 1 2 260.341 1.643 20 30 CDEDLO C=C(C)COCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682513016 483262108 /nfs/dbraw/zinc/26/21/08/483262108.db2.gz REOSFIKMCPJSSN-LBPRGKRZSA-N 1 2 263.341 1.154 20 30 CDEDLO CC(C)C#CC(=O)NC[C@H]1CC[N@@H+]1C/C=C\Cl ZINC001754483249 1185637609 /nfs/dbraw/zinc/63/76/09/1185637609.db2.gz HHAFDRJWOPXGCM-AUXFESMGSA-N 1 2 254.761 1.589 20 30 CDEDLO CC(C)C#CC(=O)NC[C@H]1CC[N@H+]1C/C=C\Cl ZINC001754483249 1185637613 /nfs/dbraw/zinc/63/76/13/1185637613.db2.gz HHAFDRJWOPXGCM-AUXFESMGSA-N 1 2 254.761 1.589 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@]2(C)CCO[C@H]2C)CC1 ZINC001113136718 1162111899 /nfs/dbraw/zinc/11/18/99/1162111899.db2.gz GSGDFEIFCRGEFN-HOCLYGCPSA-N 1 2 296.411 1.148 20 30 CDEDLO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2sccc2C#N)[C@H](C)C1 ZINC000186947659 525792351 /nfs/dbraw/zinc/79/23/51/525792351.db2.gz NSNZLOHEKIBUGH-GHMZBOCLSA-N 1 2 293.392 1.147 20 30 CDEDLO C[C@@H](O)C[N@H+]1CCN(C(=O)c2sccc2C#N)[C@H](C)C1 ZINC000186947659 525792357 /nfs/dbraw/zinc/79/23/57/525792357.db2.gz NSNZLOHEKIBUGH-GHMZBOCLSA-N 1 2 293.392 1.147 20 30 CDEDLO C=CCCC1(C(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000355543687 527080961 /nfs/dbraw/zinc/08/09/61/527080961.db2.gz HEJULCIZDKILOF-UHFFFAOYSA-N 1 2 266.385 1.523 20 30 CDEDLO CC(C)(C#N)CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000335971226 527481208 /nfs/dbraw/zinc/48/12/08/527481208.db2.gz UGSFHOXAGXZQSU-SNVBAGLBSA-N 1 2 261.329 1.047 20 30 CDEDLO CC[C@@H]1CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000330178666 529346284 /nfs/dbraw/zinc/34/62/84/529346284.db2.gz DWPLIDCJBFUZRM-NWDGAFQWSA-N 1 2 278.356 1.223 20 30 CDEDLO CCc1nc2n(n1)C[C@H](NC(=O)CCc1c[nH+]c[nH]1)CC2 ZINC000329283912 538553683 /nfs/dbraw/zinc/55/36/83/538553683.db2.gz NQRKFCYUCHHKLL-LLVKDONJSA-N 1 2 288.355 1.468 20 30 CDEDLO CCc1nc2n(n1)C[C@H](NC(=O)CCc1c[nH]c[nH+]1)CC2 ZINC000329283912 538553692 /nfs/dbraw/zinc/55/36/92/538553692.db2.gz NQRKFCYUCHHKLL-LLVKDONJSA-N 1 2 288.355 1.468 20 30 CDEDLO C[C@H](Oc1cccnc1)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000329566667 538584709 /nfs/dbraw/zinc/58/47/09/538584709.db2.gz OWUSDFLWZKJWRI-OLZOCXBDSA-N 1 2 293.367 1.526 20 30 CDEDLO C[C@H](Oc1cccnc1)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000329566667 538584721 /nfs/dbraw/zinc/58/47/21/538584721.db2.gz OWUSDFLWZKJWRI-OLZOCXBDSA-N 1 2 293.367 1.526 20 30 CDEDLO N#C[C@@H]1CCC[C@H]1[NH+]=C([O-])N1CCn2c[nH+]cc2C1 ZINC000329657124 538608771 /nfs/dbraw/zinc/60/87/71/538608771.db2.gz MVDBCBMPYQIJCO-CMPLNLGQSA-N 1 2 259.313 1.305 20 30 CDEDLO C=CCN(CC=C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726261776 574496747 /nfs/dbraw/zinc/49/67/47/574496747.db2.gz UVPVSHMJUAQMJL-ZDUSSCGKSA-N 1 2 267.373 1.091 20 30 CDEDLO C=CCN(CC=C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726261776 574496748 /nfs/dbraw/zinc/49/67/48/574496748.db2.gz UVPVSHMJUAQMJL-ZDUSSCGKSA-N 1 2 267.373 1.091 20 30 CDEDLO CON=Cc1ccc(C(=O)NCc2[nH+]ccn2C)cc1 ZINC000728545799 574636456 /nfs/dbraw/zinc/63/64/56/574636456.db2.gz DGPXLXYLBQBDQH-UHFFFAOYSA-N 1 2 272.308 1.330 20 30 CDEDLO CNC(=S)N[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000758358852 574916827 /nfs/dbraw/zinc/91/68/27/574916827.db2.gz MEHNSJJTALHYGQ-UHFFFAOYSA-N 1 2 263.370 1.110 20 30 CDEDLO CCO[C@@H]1CC(=[NH+]n2cnnc2)[C@H]1Oc1ccccc1 ZINC000774300609 575196755 /nfs/dbraw/zinc/19/67/55/575196755.db2.gz FYMLJJMQANCTRO-ZIAGYGMSSA-N 1 2 272.308 1.739 20 30 CDEDLO O=S1(=O)C=C(NNc2cnc3ccccc3[nH+]2)CCC1 ZINC000731926555 575071678 /nfs/dbraw/zinc/07/16/78/575071678.db2.gz KAWXXAPVSRQFDD-UHFFFAOYSA-N 1 2 290.348 1.606 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2nc(Cl)sc2C)CC1 ZINC000762870643 576686405 /nfs/dbraw/zinc/68/64/05/576686405.db2.gz WJNNIVKTDRRJQY-UHFFFAOYSA-N 1 2 297.811 1.886 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C/C2CCCCC2)CC1 ZINC000735472481 575471404 /nfs/dbraw/zinc/47/14/04/575471404.db2.gz QTXNYXSBQBXTPJ-CMDGGOBGSA-N 1 2 260.381 1.900 20 30 CDEDLO C=CCNc1ncc(C(=O)NCc2[nH]c[nH+]c2C)s1 ZINC000771027715 575533531 /nfs/dbraw/zinc/53/35/31/575533531.db2.gz IGLXZINQDKOQFH-UHFFFAOYSA-N 1 2 277.353 1.703 20 30 CDEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)CC#N)CC2)cc1 ZINC000773159086 575786998 /nfs/dbraw/zinc/78/69/98/575786998.db2.gz QCJDBIHEWZKXGP-UHFFFAOYSA-N 1 2 286.379 1.751 20 30 CDEDLO C[NH+](C)c1ccc(N2CCC(NC(=O)CC#N)CC2)cc1 ZINC000773159086 575787000 /nfs/dbraw/zinc/78/70/00/575787000.db2.gz QCJDBIHEWZKXGP-UHFFFAOYSA-N 1 2 286.379 1.751 20 30 CDEDLO C#C[C@H](NC(=O)NCCCCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000773228822 575793478 /nfs/dbraw/zinc/79/34/78/575793478.db2.gz JLWJWOIESFYLFF-UONOGXRCSA-N 1 2 290.367 1.143 20 30 CDEDLO C#C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000773596502 575828670 /nfs/dbraw/zinc/82/86/70/575828670.db2.gz CFQYIXISPDUYSA-GFCCVEGCSA-N 1 2 277.393 1.597 20 30 CDEDLO CCO[C@@H]1CCCC1N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000766452329 576103461 /nfs/dbraw/zinc/10/34/61/576103461.db2.gz FHWHYHCSCRARAO-NQBHXWOUSA-N 1 2 264.373 1.791 20 30 CDEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000761111597 576549735 /nfs/dbraw/zinc/54/97/35/576549735.db2.gz YWNFULCFNCLJBN-UHFFFAOYSA-N 1 2 280.755 1.860 20 30 CDEDLO C#CCOCC[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000761111597 576549738 /nfs/dbraw/zinc/54/97/38/576549738.db2.gz YWNFULCFNCLJBN-UHFFFAOYSA-N 1 2 280.755 1.860 20 30 CDEDLO C[C@H](C#N)OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741390484 576554805 /nfs/dbraw/zinc/55/48/05/576554805.db2.gz YRGZLTUJZWQTDF-TZMCWYRMSA-N 1 2 274.320 1.343 20 30 CDEDLO C[C@H](C#N)OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741390484 576554807 /nfs/dbraw/zinc/55/48/07/576554807.db2.gz YRGZLTUJZWQTDF-TZMCWYRMSA-N 1 2 274.320 1.343 20 30 CDEDLO Oc1ccc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)cc1O ZINC000761836146 576596885 /nfs/dbraw/zinc/59/68/85/576596885.db2.gz NWQHSMKGDVTWGU-UHFFFAOYSA-N 1 2 296.290 1.520 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Cc2ccc(C)cc2Cl)CC1 ZINC000762216642 576630310 /nfs/dbraw/zinc/63/03/10/576630310.db2.gz ZYZJUASVDCQRHZ-UHFFFAOYSA-N 1 2 290.794 1.968 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2csc3cncn32)CC1 ZINC000746191367 576760895 /nfs/dbraw/zinc/76/08/95/576760895.db2.gz PUPRONMHEHOKJF-UHFFFAOYSA-N 1 2 288.376 1.177 20 30 CDEDLO C#CC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000754079781 576878455 /nfs/dbraw/zinc/87/84/55/576878455.db2.gz LNZBTPJQFFBINA-UHFFFAOYSA-N 1 2 262.740 1.617 20 30 CDEDLO COc1ccnc(N=NCc2c[nH+]c3cccc(C)n23)n1 ZINC000755640336 576953399 /nfs/dbraw/zinc/95/33/99/576953399.db2.gz OKYBWARTDCEGBY-UHFFFAOYSA-N 1 2 282.307 1.887 20 30 CDEDLO Cn1c[nH+]cc1C=NNCCCOc1ccccc1 ZINC000755697706 576955748 /nfs/dbraw/zinc/95/57/48/576955748.db2.gz ZAXNLUNOIUQVGB-UHFFFAOYSA-N 1 2 258.325 1.813 20 30 CDEDLO C(N=NC1=[NH+][C@@H]2CCCC[C@H]2N1)C1CCOCC1 ZINC000755813212 576962594 /nfs/dbraw/zinc/96/25/94/576962594.db2.gz BAPZOCDRGSGHKI-VXGBXAGGSA-N 1 2 250.346 1.259 20 30 CDEDLO Cc1ccn(CN2CCC[C@@H](n3cc[nH+]c3)C2)c(=O)c1C#N ZINC000758222252 577085008 /nfs/dbraw/zinc/08/50/08/577085008.db2.gz ILQPEJJXVGQMEV-CQSZACIVSA-N 1 2 297.362 1.520 20 30 CDEDLO C[C@@H]1C[N@H+](C)CC1=NNS(=O)(=O)CCc1ccccc1 ZINC000752165132 577091553 /nfs/dbraw/zinc/09/15/53/577091553.db2.gz FQNUAGAKLUHZRV-GFCCVEGCSA-N 1 2 295.408 1.086 20 30 CDEDLO C[C@@H]1C[N@@H+](C)CC1=NNS(=O)(=O)CCc1ccccc1 ZINC000752165132 577091555 /nfs/dbraw/zinc/09/15/55/577091555.db2.gz FQNUAGAKLUHZRV-GFCCVEGCSA-N 1 2 295.408 1.086 20 30 CDEDLO C[C@@H]1C[N@H+](C)CC1=NNS(=O)(=O)Cc1ccccc1 ZINC000752163973 577091832 /nfs/dbraw/zinc/09/18/32/577091832.db2.gz HRCJXZZEAOEQAR-LLVKDONJSA-N 1 2 281.381 1.044 20 30 CDEDLO C[C@@H]1C[N@@H+](C)CC1=NNS(=O)(=O)Cc1ccccc1 ZINC000752163973 577091835 /nfs/dbraw/zinc/09/18/35/577091835.db2.gz HRCJXZZEAOEQAR-LLVKDONJSA-N 1 2 281.381 1.044 20 30 CDEDLO CON=CC(=O)N1CCCC[C@H]1c1c[nH+]cn1C ZINC000752936111 577135547 /nfs/dbraw/zinc/13/55/47/577135547.db2.gz YBSTVEUATDSDBS-JTQLQIEISA-N 1 2 250.302 1.106 20 30 CDEDLO Cn1c[nH+]cc1CON=C(N)c1nccc2ccccc21 ZINC000753118285 577147190 /nfs/dbraw/zinc/14/71/90/577147190.db2.gz IBFWAKIDEYTSIS-UHFFFAOYSA-N 1 2 281.319 1.805 20 30 CDEDLO C#C[C@H](CC)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000753176630 577151465 /nfs/dbraw/zinc/15/14/65/577151465.db2.gz JALRRSBNMWVPSE-CHWSQXEVSA-N 1 2 272.352 1.371 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(C)co2)C1 ZINC000951210336 612991695 /nfs/dbraw/zinc/99/16/95/612991695.db2.gz XMMFNSYLAUVKPY-UHFFFAOYSA-N 1 2 260.337 1.758 20 30 CDEDLO C#C[C@H]1CCCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000890650191 617249054 /nfs/dbraw/zinc/24/90/54/617249054.db2.gz CGVPATSTMAVHRY-OLZOCXBDSA-N 1 2 257.337 1.460 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000952299064 612991453 /nfs/dbraw/zinc/99/14/53/612991453.db2.gz YVSLZZMIIYZOQZ-TZMCWYRMSA-N 1 2 264.369 1.110 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2csnc2C)CC1 ZINC000981010608 613160267 /nfs/dbraw/zinc/16/02/67/613160267.db2.gz UNPPJDBEYRZGIP-UHFFFAOYSA-N 1 2 263.366 1.233 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2csnc2C)CC1 ZINC000981010608 613160268 /nfs/dbraw/zinc/16/02/68/613160268.db2.gz UNPPJDBEYRZGIP-UHFFFAOYSA-N 1 2 263.366 1.233 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@@H]3C[C@H]3C)CC2)C1 ZINC000949463122 613210504 /nfs/dbraw/zinc/21/05/04/613210504.db2.gz KGDVCFQJQYKPRK-CABCVRRESA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3C[C@H]3C)CC2)C1 ZINC000949463122 613210505 /nfs/dbraw/zinc/21/05/05/613210505.db2.gz KGDVCFQJQYKPRK-CABCVRRESA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C(C)(C)C)C2)C1 ZINC000972435065 613212907 /nfs/dbraw/zinc/21/29/07/613212907.db2.gz LKHQPYOTGDDDKY-WMLDXEAASA-N 1 2 292.423 1.605 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C(C)(C)C)C2)C1 ZINC000972435065 613212908 /nfs/dbraw/zinc/21/29/08/613212908.db2.gz LKHQPYOTGDDDKY-WMLDXEAASA-N 1 2 292.423 1.605 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnc(CC)s2)C1 ZINC000968687798 613250170 /nfs/dbraw/zinc/25/01/70/613250170.db2.gz HDPPZXSPTILJMH-RYUDHWBXSA-N 1 2 291.420 1.779 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnc(CC)s2)C1 ZINC000968687798 613250173 /nfs/dbraw/zinc/25/01/73/613250173.db2.gz HDPPZXSPTILJMH-RYUDHWBXSA-N 1 2 291.420 1.779 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCO[C@H](C)C2)C1 ZINC000957048591 613294333 /nfs/dbraw/zinc/29/43/33/613294333.db2.gz ANTKZHNKNZHPRS-ZIAGYGMSSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCC(=O)N2C)C1 ZINC000957337792 613295067 /nfs/dbraw/zinc/29/50/67/613295067.db2.gz CDUCNYRIYQJQFC-CQSZACIVSA-N 1 2 293.411 1.106 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc3nncn3c2)C1 ZINC000956950901 613296449 /nfs/dbraw/zinc/29/64/49/613296449.db2.gz LDDFJFNTGBHMGY-UHFFFAOYSA-N 1 2 299.378 1.452 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cccc(=O)n2C)C1 ZINC000951722975 613296579 /nfs/dbraw/zinc/29/65/79/613296579.db2.gz VHNCTSDDJAMXED-UHFFFAOYSA-N 1 2 289.379 1.108 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncc2nc[nH]c21 ZINC000960001880 613346177 /nfs/dbraw/zinc/34/61/77/613346177.db2.gz JPFOGXFNXLAFEO-IMRBUKKESA-N 1 2 297.362 1.194 20 30 CDEDLO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncc2nc[nH]c21 ZINC000960001880 613346178 /nfs/dbraw/zinc/34/61/78/613346178.db2.gz JPFOGXFNXLAFEO-IMRBUKKESA-N 1 2 297.362 1.194 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(C)on2)C1 ZINC000969259967 613371726 /nfs/dbraw/zinc/37/17/26/613371726.db2.gz PBSGQNVLFCAANB-SNVBAGLBSA-N 1 2 283.759 1.786 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnns2)C1 ZINC000969347660 613371965 /nfs/dbraw/zinc/37/19/65/613371965.db2.gz YNSQIYHOWHQEQJ-MRVPVSSYSA-N 1 2 286.788 1.341 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2nccc(C)n2)C1 ZINC000969587323 613372038 /nfs/dbraw/zinc/37/20/38/613372038.db2.gz FAZDYOVCCZRLCH-LLVKDONJSA-N 1 2 294.786 1.588 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cc2cc[nH]n2)CC1 ZINC000980884686 613373244 /nfs/dbraw/zinc/37/32/44/613373244.db2.gz HLBAROQTJFQBKA-UHFFFAOYSA-N 1 2 282.775 1.239 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cc2cc[nH]n2)CC1 ZINC000980884686 613373245 /nfs/dbraw/zinc/37/32/45/613373245.db2.gz HLBAROQTJFQBKA-UHFFFAOYSA-N 1 2 282.775 1.239 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2n[nH]cc2C)C(C)(C)C1 ZINC000974565854 613381201 /nfs/dbraw/zinc/38/12/01/613381201.db2.gz YSMDPSBGQQMASV-NSHDSACASA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2n[nH]cc2C)C(C)(C)C1 ZINC000974565854 613381202 /nfs/dbraw/zinc/38/12/02/613381202.db2.gz YSMDPSBGQQMASV-NSHDSACASA-N 1 2 296.802 1.911 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC000969832346 613503673 /nfs/dbraw/zinc/50/36/73/613503673.db2.gz QLPJQNNQJHNDPU-BXUZGUMPSA-N 1 2 294.424 1.831 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2oncc2C)CC1 ZINC000983586107 613556626 /nfs/dbraw/zinc/55/66/26/613556626.db2.gz MPGCZBFCYWABFT-UHFFFAOYSA-N 1 2 261.325 1.154 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2oncc2C)CC1 ZINC000983586107 613556627 /nfs/dbraw/zinc/55/66/27/613556627.db2.gz MPGCZBFCYWABFT-UHFFFAOYSA-N 1 2 261.325 1.154 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H](C)n2ccc(C)n2)CC1 ZINC000949638944 613563225 /nfs/dbraw/zinc/56/32/25/613563225.db2.gz HRGUTSIYLLZUJM-HNNXBMFYSA-N 1 2 288.395 1.310 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2ccc3c[nH]nc3c2)CC1 ZINC000957512283 613563280 /nfs/dbraw/zinc/56/32/80/613563280.db2.gz XDIHCVNWCGXTLL-UHFFFAOYSA-N 1 2 296.374 1.273 20 30 CDEDLO C=CC[N@@H+]1CCCN(C(=O)c2cccc3n[nH]cc32)CC1 ZINC000981727213 613697780 /nfs/dbraw/zinc/69/77/80/613697780.db2.gz MWGWXBXVRHHJIY-UHFFFAOYSA-N 1 2 284.363 1.897 20 30 CDEDLO C=CC[N@H+]1CCCN(C(=O)c2cccc3n[nH]cc32)CC1 ZINC000981727213 613697782 /nfs/dbraw/zinc/69/77/82/613697782.db2.gz MWGWXBXVRHHJIY-UHFFFAOYSA-N 1 2 284.363 1.897 20 30 CDEDLO C=CC[N@H+]1CCCN(C(=O)c2scnc2COC)CC1 ZINC000982120726 613700314 /nfs/dbraw/zinc/70/03/14/613700314.db2.gz UFANXMYUPUVRBC-UHFFFAOYSA-N 1 2 295.408 1.623 20 30 CDEDLO C=CC[N@@H+]1CCCN(C(=O)c2scnc2COC)CC1 ZINC000982120726 613700315 /nfs/dbraw/zinc/70/03/15/613700315.db2.gz UFANXMYUPUVRBC-UHFFFAOYSA-N 1 2 295.408 1.623 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)c2c(C)noc2C)CC1 ZINC000949775627 613706871 /nfs/dbraw/zinc/70/68/71/613706871.db2.gz UXRWAVHELAPIBO-UHFFFAOYSA-N 1 2 291.395 1.899 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc3nsnc32)CC1 ZINC000956993319 613716810 /nfs/dbraw/zinc/71/68/10/613716810.db2.gz CQHNXBFUVRFDOM-UHFFFAOYSA-N 1 2 288.376 1.635 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc3c2COCC3)CC1 ZINC000948715337 613716912 /nfs/dbraw/zinc/71/69/12/613716912.db2.gz AREXGKQTJSVQPM-UHFFFAOYSA-N 1 2 286.375 1.703 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnn(C(C)(C)C)c2C)CC1 ZINC000948637604 613718249 /nfs/dbraw/zinc/71/82/49/613718249.db2.gz HXOWXHKQJKMBLY-UHFFFAOYSA-N 1 2 290.411 1.890 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC(F)(F)F)C2)C1 ZINC000972282132 613723359 /nfs/dbraw/zinc/72/33/59/613723359.db2.gz OFKNRNCJJMMUAB-LBPRGKRZSA-N 1 2 292.301 1.428 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC(F)(F)F)C2)C1 ZINC000972282132 613723363 /nfs/dbraw/zinc/72/33/63/613723363.db2.gz OFKNRNCJJMMUAB-LBPRGKRZSA-N 1 2 292.301 1.428 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C3CC3)C2)C1 ZINC000972319503 613723747 /nfs/dbraw/zinc/72/37/47/613723747.db2.gz LIOSHRBYWIWOLS-CJNGLKHVSA-N 1 2 278.396 1.522 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C3CC3)C2)C1 ZINC000972319503 613723749 /nfs/dbraw/zinc/72/37/49/613723749.db2.gz LIOSHRBYWIWOLS-CJNGLKHVSA-N 1 2 278.396 1.522 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nn(C)c2ccccc12 ZINC000889492388 617533184 /nfs/dbraw/zinc/53/31/84/617533184.db2.gz NIJYGYXHQMWSSK-AWEZNQCLSA-N 1 2 282.347 1.609 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nn(C)c2ccccc12 ZINC000889492388 617533186 /nfs/dbraw/zinc/53/31/86/617533186.db2.gz NIJYGYXHQMWSSK-AWEZNQCLSA-N 1 2 282.347 1.609 20 30 CDEDLO C=C[C@H](CC)CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000933661324 617575539 /nfs/dbraw/zinc/57/55/39/617575539.db2.gz UGMNSVBLNRGLNZ-HUUCEWRRSA-N 1 2 280.412 1.912 20 30 CDEDLO C[N@@H+](Cc1ncccn1)C[C@H]1CCCN1C(=O)C#CC1CC1 ZINC000960623058 616105916 /nfs/dbraw/zinc/10/59/16/616105916.db2.gz JMNWINKPFKXAFR-OAHLLOKOSA-N 1 2 298.390 1.313 20 30 CDEDLO C[N@H+](Cc1ncccn1)C[C@H]1CCCN1C(=O)C#CC1CC1 ZINC000960623058 616105917 /nfs/dbraw/zinc/10/59/17/616105917.db2.gz JMNWINKPFKXAFR-OAHLLOKOSA-N 1 2 298.390 1.313 20 30 CDEDLO N#Cc1cc(N2CC(n3cc[nH+]c3)C2)c([N+](=O)[O-])s1 ZINC000892899946 617884958 /nfs/dbraw/zinc/88/49/58/617884958.db2.gz OEDHKWGSQVMVDA-UHFFFAOYSA-N 1 2 275.293 1.786 20 30 CDEDLO CCOC(=O)c1ncc(C[NH2+]CC(C)(C)C#N)s1 ZINC000893550589 618102940 /nfs/dbraw/zinc/10/29/40/618102940.db2.gz FSANYFAOQSGJNZ-UHFFFAOYSA-N 1 2 267.354 1.959 20 30 CDEDLO Cc1cc(N2CCN(C(=O)CC#N)CC2)nc(C2CCC2)[nH+]1 ZINC000894420375 618879218 /nfs/dbraw/zinc/87/92/18/618879218.db2.gz YEYGTOXHCFGXDH-UHFFFAOYSA-N 1 2 299.378 1.615 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3cncs3)CC2)nn1 ZINC000894847480 619095640 /nfs/dbraw/zinc/09/56/40/619095640.db2.gz HJLBHPKUOTUNOK-UHFFFAOYSA-N 1 2 286.364 1.127 20 30 CDEDLO Cc1cc(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)ccc1C#N ZINC000895118939 619313894 /nfs/dbraw/zinc/31/38/94/619313894.db2.gz RUUUSNBMQWRJMV-RWMBFGLXSA-N 1 2 271.364 1.964 20 30 CDEDLO Cc1cc(C[N@@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)ccc1C#N ZINC000895118939 619313896 /nfs/dbraw/zinc/31/38/96/619313896.db2.gz RUUUSNBMQWRJMV-RWMBFGLXSA-N 1 2 271.364 1.964 20 30 CDEDLO COc1cccc(OC)c1C[NH2+][C@@H]1CCCN(O)C1=O ZINC000895159381 619376790 /nfs/dbraw/zinc/37/67/90/619376790.db2.gz UPCFZIXYSPBKRA-LLVKDONJSA-N 1 2 280.324 1.174 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCN1O ZINC000895162284 619382594 /nfs/dbraw/zinc/38/25/94/619382594.db2.gz JTDDXKPMKJSGHQ-LLVKDONJSA-N 1 2 283.259 1.204 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2cccnc2Cl)CCCN1O ZINC000895164133 619389364 /nfs/dbraw/zinc/38/93/64/619389364.db2.gz CRWCPYLPLKZFGC-VIFPVBQESA-N 1 2 255.705 1.205 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2cccc(F)c2F)CCCN1O ZINC000895165179 619392623 /nfs/dbraw/zinc/39/26/23/619392623.db2.gz KKOFZVNHTKRFPH-SNVBAGLBSA-N 1 2 256.252 1.435 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)cc1 ZINC000896533451 620132645 /nfs/dbraw/zinc/13/26/45/620132645.db2.gz YXYYLUAWJCONBG-XJKSGUPXSA-N 1 2 285.391 1.032 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)cc1 ZINC000896533451 620132646 /nfs/dbraw/zinc/13/26/46/620132646.db2.gz YXYYLUAWJCONBG-XJKSGUPXSA-N 1 2 285.391 1.032 20 30 CDEDLO C=CCOCCCC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928638065 620285717 /nfs/dbraw/zinc/28/57/17/620285717.db2.gz AYTXPHYQUGYUEH-AWEZNQCLSA-N 1 2 284.400 1.196 20 30 CDEDLO C#CCSCC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000897582976 621007817 /nfs/dbraw/zinc/00/78/17/621007817.db2.gz FVBFQRLZENQDRU-LBPRGKRZSA-N 1 2 277.393 1.493 20 30 CDEDLO C[N@H+](CCO)Cc1cn(CCCCC2(C#N)CCC2)nn1 ZINC000900617209 623302373 /nfs/dbraw/zinc/30/23/73/623302373.db2.gz OUNSCOUEKZPAFN-UHFFFAOYSA-N 1 2 291.399 1.566 20 30 CDEDLO C[N@@H+](CCO)Cc1cn(CCCCC2(C#N)CCC2)nn1 ZINC000900617209 623302377 /nfs/dbraw/zinc/30/23/77/623302377.db2.gz OUNSCOUEKZPAFN-UHFFFAOYSA-N 1 2 291.399 1.566 20 30 CDEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@H](C#N)C(C)(C)C)[nH]n1 ZINC000900971964 623706154 /nfs/dbraw/zinc/70/61/54/623706154.db2.gz LYPCSGFFOWOVHN-QWHCGFSZSA-N 1 2 289.383 1.844 20 30 CDEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@H](C#N)C(C)(C)C)[nH]n1 ZINC000900971964 623706156 /nfs/dbraw/zinc/70/61/56/623706156.db2.gz LYPCSGFFOWOVHN-QWHCGFSZSA-N 1 2 289.383 1.844 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C/C=C/C)C(=O)OCC ZINC000907400706 627640028 /nfs/dbraw/zinc/64/00/28/627640028.db2.gz PZVJGLOKJZLGRE-KMEUXCNSSA-N 1 2 292.379 1.098 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C/C=C/C)C(=O)OCC ZINC000907400706 627640032 /nfs/dbraw/zinc/64/00/32/627640032.db2.gz PZVJGLOKJZLGRE-KMEUXCNSSA-N 1 2 292.379 1.098 20 30 CDEDLO C[Si](C)(C)C#CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000912327658 629939170 /nfs/dbraw/zinc/93/91/70/629939170.db2.gz RMBGNSMYDMDJGY-ZDUSSCGKSA-N 1 2 289.455 1.833 20 30 CDEDLO CCCCCCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000152375088 631019645 /nfs/dbraw/zinc/01/96/45/631019645.db2.gz YBHXLXZYKCFFNN-KGLIPLIRSA-N 1 2 268.401 1.888 20 30 CDEDLO CCCCCCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000152375088 631019650 /nfs/dbraw/zinc/01/96/50/631019650.db2.gz YBHXLXZYKCFFNN-KGLIPLIRSA-N 1 2 268.401 1.888 20 30 CDEDLO C#CCN(C(=O)NCC[N@@H+]1CCOC(C)(C)C1)C(C)C ZINC000915853993 631839350 /nfs/dbraw/zinc/83/93/50/631839350.db2.gz AGPQIYOCZATKOL-UHFFFAOYSA-N 1 2 281.400 1.150 20 30 CDEDLO C#CCN(C(=O)NCC[N@H+]1CCOC(C)(C)C1)C(C)C ZINC000915853993 631839352 /nfs/dbraw/zinc/83/93/52/631839352.db2.gz AGPQIYOCZATKOL-UHFFFAOYSA-N 1 2 281.400 1.150 20 30 CDEDLO C[NH+]1CCN(N=Cc2cccc(Br)c2O)CC1 ZINC000915933986 631874070 /nfs/dbraw/zinc/87/40/70/631874070.db2.gz OZKVYWMDBAXRJC-UHFFFAOYSA-N 1 2 298.184 1.736 20 30 CDEDLO CC(=[NH+]NCCN1CCCCC1)c1csc(N)n1 ZINC000915974241 631878049 /nfs/dbraw/zinc/87/80/49/631878049.db2.gz QJAYKLLYKFISPU-UHFFFAOYSA-N 1 2 267.402 1.525 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](C#N)C1CCCC1 ZINC000921551684 633073881 /nfs/dbraw/zinc/07/38/81/633073881.db2.gz SWXAZJBUSDOZFS-JHJVBQTASA-N 1 2 272.352 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/nfs/dbraw/zinc/94/14/50/1160941450.db2.gz UAFDFPSQKBHLIY-NSHDSACASA-N 1 2 295.346 1.392 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CC2CC2)C1 ZINC001107686920 1161322707 /nfs/dbraw/zinc/32/27/07/1161322707.db2.gz FOTGAKAWCZNCOV-OAHLLOKOSA-N 1 2 264.369 1.017 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CC2CC2)C1 ZINC001107686920 1161322704 /nfs/dbraw/zinc/32/27/04/1161322704.db2.gz FOTGAKAWCZNCOV-OAHLLOKOSA-N 1 2 264.369 1.017 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC ZINC001109677577 1162035662 /nfs/dbraw/zinc/03/56/62/1162035662.db2.gz ZVMPEQMWDJLKMV-LMOYCYGVSA-N 1 2 293.411 1.056 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC ZINC001109677577 1162035666 /nfs/dbraw/zinc/03/56/66/1162035666.db2.gz ZVMPEQMWDJLKMV-LMOYCYGVSA-N 1 2 293.411 1.056 20 30 CDEDLO Cc1nc(N[C@H](C)[C@H](C)NC(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001112994414 1162062899 /nfs/dbraw/zinc/06/28/99/1162062899.db2.gz WLXRMOQDJBAABC-ZJUUUORDSA-N 1 2 298.350 1.604 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001132401818 1163268617 /nfs/dbraw/zinc/26/86/17/1163268617.db2.gz FYDRYJKGGUJITF-UHFFFAOYSA-N 1 2 265.357 1.709 20 30 CDEDLO Cc1nnc(NCc2ccc[nH+]c2N)c(C#N)c1C ZINC001639927539 1166976252 /nfs/dbraw/zinc/97/62/52/1166976252.db2.gz MAJPEECURGSULY-UHFFFAOYSA-N 1 2 254.297 1.554 20 30 CDEDLO C[N@H+](CC(=O)n1ncc(C#N)c1N)Cc1ccccc1 ZINC000057557069 1167164985 /nfs/dbraw/zinc/16/49/85/1167164985.db2.gz NYSTUZFEXCWSPY-UHFFFAOYSA-N 1 2 269.308 1.109 20 30 CDEDLO C[N@@H+](CC(=O)n1ncc(C#N)c1N)Cc1ccccc1 ZINC000057557069 1167164991 /nfs/dbraw/zinc/16/49/91/1167164991.db2.gz NYSTUZFEXCWSPY-UHFFFAOYSA-N 1 2 269.308 1.109 20 30 CDEDLO Cn1c[nH+]cc1C1CCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC001647004940 1168341904 /nfs/dbraw/zinc/34/19/04/1168341904.db2.gz RROXLCOXWMZRRW-UHFFFAOYSA-N 1 2 295.346 1.707 20 30 CDEDLO COc1cc(C#N)ccc1C(=O)N1CCn2c[nH+]cc2C1 ZINC001647462383 1168729377 /nfs/dbraw/zinc/72/93/77/1168729377.db2.gz XDQUJIKWFVXMDM-UHFFFAOYSA-N 1 2 282.303 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/nfs/dbraw/zinc/36/92/55/1185369255.db2.gz IRYJFFXJVJILJP-UHFFFAOYSA-N 1 2 290.411 1.504 20 30 CDEDLO CC#CCCCC(=O)N(C)CC[N@@H+](C)Cc1ccn(C)n1 ZINC001753860754 1185369261 /nfs/dbraw/zinc/36/92/61/1185369261.db2.gz IRYJFFXJVJILJP-UHFFFAOYSA-N 1 2 290.411 1.504 20 30 CDEDLO C=C(Cl)C[NH2+]C/C=C\CNC(=O)C(F)C(F)(F)F ZINC001754123671 1185475287 /nfs/dbraw/zinc/47/52/87/1185475287.db2.gz RJFOAQWSYAVKOJ-YAJNLLPGSA-N 1 2 288.672 1.901 20 30 CDEDLO C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@H](F)C(F)(F)F ZINC001754123671 1185475291 /nfs/dbraw/zinc/47/52/91/1185475291.db2.gz RJFOAQWSYAVKOJ-YAJNLLPGSA-N 1 2 288.672 1.901 20 30 CDEDLO CC#CC[NH2+]C/C=C/CNC(=O)c1cccc2nc[nH]c21 ZINC001754185514 1185497490 /nfs/dbraw/zinc/49/74/90/1185497490.db2.gz AEGQTGJDDYRNJR-SNAWJCMRSA-N 1 2 282.347 1.462 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001754471861 1185629941 /nfs/dbraw/zinc/62/99/41/1185629941.db2.gz FNXGRWJCPMLQPB-CABCVRRESA-N 1 2 276.380 1.183 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001754471861 1185629946 /nfs/dbraw/zinc/62/99/46/1185629946.db2.gz FNXGRWJCPMLQPB-CABCVRRESA-N 1 2 276.380 1.183 20 30 CDEDLO C=CCCCC(=O)NCC1([NH2+]Cc2ccon2)CC1 ZINC001754523457 1185657212 /nfs/dbraw/zinc/65/72/12/1185657212.db2.gz VNMRGAKNGKQCCW-UHFFFAOYSA-N 1 2 263.341 1.769 20 30 CDEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)COC ZINC001755074442 1185807020 /nfs/dbraw/zinc/80/70/20/1185807020.db2.gz ZCFOGSMHYPDGMH-INIZCTEOSA-N 1 2 286.375 1.199 20 30 CDEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)COC ZINC001755074442 1185807026 /nfs/dbraw/zinc/80/70/26/1185807026.db2.gz ZCFOGSMHYPDGMH-INIZCTEOSA-N 1 2 286.375 1.199 20 30 CDEDLO C=CCCC(=O)N(C)C1CC([NH2+][C@H](C)c2noc(C)n2)C1 ZINC001755854879 1186091131 /nfs/dbraw/zinc/09/11/31/1186091131.db2.gz WLDXQMXOASQLKD-QFWMXSHPSA-N 1 2 292.383 1.984 20 30 CDEDLO CN(CCC#N)C[C@H](O)C[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001772049657 1187026287 /nfs/dbraw/zinc/02/62/87/1187026287.db2.gz LSEKFDHUGWGEIN-GFCCVEGCSA-N 1 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/nfs/dbraw/zinc/06/83/98/844068398.db2.gz SDQCWBVOTQAULD-UHFFFAOYSA-N 1 2 273.336 1.931 20 30 CDEDLO C#CCOc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000819439411 844082593 /nfs/dbraw/zinc/08/25/93/844082593.db2.gz SZQHYUFENIWXPP-HNNXBMFYSA-N 1 2 287.363 1.317 20 30 CDEDLO C#CCOc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000819439411 844082601 /nfs/dbraw/zinc/08/26/01/844082601.db2.gz SZQHYUFENIWXPP-HNNXBMFYSA-N 1 2 287.363 1.317 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c([nH]1)CCC2 ZINC001032726255 844089981 /nfs/dbraw/zinc/08/99/81/844089981.db2.gz HJYUABZTLRBHMK-KBPBESRZSA-N 1 2 283.375 1.425 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c([nH]1)CCC2 ZINC001032726255 844089997 /nfs/dbraw/zinc/08/99/97/844089997.db2.gz HJYUABZTLRBHMK-KBPBESRZSA-N 1 2 283.375 1.425 20 30 CDEDLO N#CCC(=O)N1CC[NH+](C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000886228816 844118461 /nfs/dbraw/zinc/11/84/61/844118461.db2.gz GIKFORCOLUMMFZ-ZIAGYGMSSA-N 1 2 277.368 1.002 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnn(C)c2)[C@H]1C ZINC000993037194 844174133 /nfs/dbraw/zinc/17/41/33/844174133.db2.gz NHVOTVPNQNGYLE-YPMHNXCESA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnn(C)c2)[C@H]1C ZINC000993037194 844174173 /nfs/dbraw/zinc/17/41/73/844174173.db2.gz NHVOTVPNQNGYLE-YPMHNXCESA-N 1 2 296.802 1.755 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)c(F)c1 ZINC001038487366 844246149 /nfs/dbraw/zinc/24/61/49/844246149.db2.gz YMHATMBCNOFDHL-CYBMUJFWSA-N 1 2 260.312 1.571 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)c(F)c1 ZINC001038487366 844246165 /nfs/dbraw/zinc/24/61/65/844246165.db2.gz YMHATMBCNOFDHL-CYBMUJFWSA-N 1 2 260.312 1.571 20 30 CDEDLO C#Cc1ccc(C(=O)NCC2C[NH+](CCF)C2)cc1 ZINC001031892348 844261606 /nfs/dbraw/zinc/26/16/06/844261606.db2.gz YEMNVFXGQXPLGN-UHFFFAOYSA-N 1 2 260.312 1.299 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccnnc2)C1 ZINC001033963807 844269566 /nfs/dbraw/zinc/26/95/66/844269566.db2.gz DOYFQBRTUVOLBM-CYBMUJFWSA-N 1 2 294.786 1.766 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccnnc2)C1 ZINC001033963807 844269585 /nfs/dbraw/zinc/26/95/85/844269585.db2.gz DOYFQBRTUVOLBM-CYBMUJFWSA-N 1 2 294.786 1.766 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCCO[C@@H]2C)C1 ZINC001031637973 844280787 /nfs/dbraw/zinc/28/07/87/844280787.db2.gz QLZIOCJPXKUUOB-DGCLKSJQSA-N 1 2 286.803 1.602 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(-c3cnco3)c2)C1 ZINC001031189451 844298970 /nfs/dbraw/zinc/29/89/70/844298970.db2.gz FGYNEVMWCVQUPT-UHFFFAOYSA-N 1 2 295.342 1.779 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCOC1 ZINC001017461846 844301253 /nfs/dbraw/zinc/30/12/53/844301253.db2.gz LOORGCIHFQCRPA-SOUVJXGZSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCOC1 ZINC001017461846 844301264 /nfs/dbraw/zinc/30/12/64/844301264.db2.gz LOORGCIHFQCRPA-SOUVJXGZSA-N 1 2 276.380 1.112 20 30 CDEDLO N#CCOC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000811325602 844317435 /nfs/dbraw/zinc/31/74/35/844317435.db2.gz AIWDUXOTNQOKSA-UHFFFAOYSA-N 1 2 255.277 1.541 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ncccc2C)C1 ZINC001035322156 844333197 /nfs/dbraw/zinc/33/31/97/844333197.db2.gz DNFZCUARGRAKMT-CYBMUJFWSA-N 1 2 275.352 1.007 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ncccc2C)C1 ZINC001035322156 844333209 /nfs/dbraw/zinc/33/32/09/844333209.db2.gz DNFZCUARGRAKMT-CYBMUJFWSA-N 1 2 275.352 1.007 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2CCC[C@@H](OC)C2)C1 ZINC001030417587 844377571 /nfs/dbraw/zinc/37/75/71/844377571.db2.gz RQFWXLSOVKJOPC-GXTWGEPZSA-N 1 2 266.385 1.568 20 30 CDEDLO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2F)C1 ZINC001047370364 844501729 /nfs/dbraw/zinc/50/17/29/844501729.db2.gz MHIDKSDJYSUTGJ-QWRGUYRKSA-N 1 2 284.356 1.190 20 30 CDEDLO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2F)C1 ZINC001047370364 844501733 /nfs/dbraw/zinc/50/17/33/844501733.db2.gz MHIDKSDJYSUTGJ-QWRGUYRKSA-N 1 2 284.356 1.190 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccncc2C)C1 ZINC001035363923 844514013 /nfs/dbraw/zinc/51/40/13/844514013.db2.gz KTNSTJPSWCNZBD-CQSZACIVSA-N 1 2 289.379 1.397 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccncc2C)C1 ZINC001035363923 844514018 /nfs/dbraw/zinc/51/40/18/844514018.db2.gz KTNSTJPSWCNZBD-CQSZACIVSA-N 1 2 289.379 1.397 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccccc2CC)C1 ZINC001030863869 844517558 /nfs/dbraw/zinc/51/75/58/844517558.db2.gz JJTRDTXQTZYBPJ-UHFFFAOYSA-N 1 2 256.349 1.686 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccccc2N(C)C)C1 ZINC001031474943 844521860 /nfs/dbraw/zinc/52/18/60/844521860.db2.gz WCDMNMDSXJNMCL-UHFFFAOYSA-N 1 2 271.364 1.190 20 30 CDEDLO C#Cc1ccccc1CC(=O)NCc1[nH]c[nH+]c1C ZINC000810467258 844557899 /nfs/dbraw/zinc/55/78/99/844557899.db2.gz YAKVEDVOTWTEHM-UHFFFAOYSA-N 1 2 253.305 1.558 20 30 CDEDLO Cc1csc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC000971218711 844575452 /nfs/dbraw/zinc/57/54/52/844575452.db2.gz RBKYZFGGODXZPP-JQWIXIFHSA-N 1 2 292.408 1.644 20 30 CDEDLO Cc1csc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC000971218711 844575459 /nfs/dbraw/zinc/57/54/59/844575459.db2.gz RBKYZFGGODXZPP-JQWIXIFHSA-N 1 2 292.408 1.644 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c(C)nn(CC)c2C)C1 ZINC001031112817 844605151 /nfs/dbraw/zinc/60/51/51/844605151.db2.gz KHGNNLUVFQGCBS-UHFFFAOYSA-N 1 2 276.384 1.510 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]cc1C ZINC001017542316 844629927 /nfs/dbraw/zinc/62/99/27/844629927.db2.gz CKPLCXNSULSDEX-TXEJJXNPSA-N 1 2 260.341 1.193 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]cc1C ZINC001017542316 844629932 /nfs/dbraw/zinc/62/99/32/844629932.db2.gz CKPLCXNSULSDEX-TXEJJXNPSA-N 1 2 260.341 1.193 20 30 CDEDLO CCN(CC)c1ccc(C=[NH+]Nc2cnnn2C)c(O)c1 ZINC000814981053 843128630 /nfs/dbraw/zinc/12/86/30/843128630.db2.gz VXCQVYBDEOQDFU-UHFFFAOYSA-N 1 2 288.355 1.813 20 30 CDEDLO C#CCN(CC)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000881809708 843206370 /nfs/dbraw/zinc/20/63/70/843206370.db2.gz COHWPJOXFGXRPW-UHFFFAOYSA-N 1 2 292.404 1.318 20 30 CDEDLO C#CCN(CC)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000881809708 843206383 /nfs/dbraw/zinc/20/63/83/843206383.db2.gz COHWPJOXFGXRPW-UHFFFAOYSA-N 1 2 292.404 1.318 20 30 CDEDLO C=CCC1(O)CC[NH+]([C@H](C)c2nnc(C)[nH]2)CC1 ZINC000886778776 843214182 /nfs/dbraw/zinc/21/41/82/843214182.db2.gz SWAYOIXHOPOBOK-SNVBAGLBSA-N 1 2 250.346 1.577 20 30 CDEDLO C#CCCCNc1nc(C)[nH+]c(NCCCC#C)n1 ZINC000775486630 843281043 /nfs/dbraw/zinc/28/10/43/843281043.db2.gz GFDVXVCCMMOSHV-UHFFFAOYSA-N 1 2 257.341 1.831 20 30 CDEDLO C[C@@H](NC(=S)N[NH+]=Cc1cnc(N(C)C)n1C)C1CC1 ZINC000811643286 843320480 /nfs/dbraw/zinc/32/04/80/843320480.db2.gz AFSZMUVLBJFHLS-SECBINFHSA-N 1 2 294.428 1.083 20 30 CDEDLO CCOc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1F ZINC000819420499 843357705 /nfs/dbraw/zinc/35/77/05/843357705.db2.gz ZDNPJPVNERZTAW-CYBMUJFWSA-N 1 2 295.358 1.843 20 30 CDEDLO CCOc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1F ZINC000819420499 843357721 /nfs/dbraw/zinc/35/77/21/843357721.db2.gz ZDNPJPVNERZTAW-CYBMUJFWSA-N 1 2 295.358 1.843 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001030341599 843399201 /nfs/dbraw/zinc/39/92/01/843399201.db2.gz DZNYIQNPGRFUJT-VNHYZAJKSA-N 1 2 260.381 1.965 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CCC ZINC000093771690 843401119 /nfs/dbraw/zinc/40/11/19/843401119.db2.gz MMMFBKMQNYVCMI-HNNXBMFYSA-N 1 2 286.375 1.799 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CCC ZINC000093771690 843401136 /nfs/dbraw/zinc/40/11/36/843401136.db2.gz MMMFBKMQNYVCMI-HNNXBMFYSA-N 1 2 286.375 1.799 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC1(C)C)CO2 ZINC001053900386 843477226 /nfs/dbraw/zinc/47/72/26/843477226.db2.gz LDNRFQZUOIHPTG-KGLIPLIRSA-N 1 2 290.407 1.405 20 30 CDEDLO C#CC[C@@H](NC(=O)NCc1c[nH+]cn1C)c1ccccc1 ZINC000292543083 843497177 /nfs/dbraw/zinc/49/71/77/843497177.db2.gz QFVJGEORBZJBBT-OAHLLOKOSA-N 1 2 282.347 1.984 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2cnccc2n1 ZINC001038749437 843611416 /nfs/dbraw/zinc/61/14/16/843611416.db2.gz JAMYSUCCLGMULI-CYBMUJFWSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2cnccc2n1 ZINC001038749437 843611431 /nfs/dbraw/zinc/61/14/31/843611431.db2.gz JAMYSUCCLGMULI-CYBMUJFWSA-N 1 2 280.331 1.067 20 30 CDEDLO C=C(Br)C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000782000555 843635982 /nfs/dbraw/zinc/63/59/82/843635982.db2.gz UMXPGNNHJSIXCJ-UHFFFAOYSA-N 1 2 275.146 1.469 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875619248 843821074 /nfs/dbraw/zinc/82/10/74/843821074.db2.gz RMWUIVUHAJAESM-AWEZNQCLSA-N 1 2 297.443 1.999 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875619248 843821075 /nfs/dbraw/zinc/82/10/75/843821075.db2.gz RMWUIVUHAJAESM-AWEZNQCLSA-N 1 2 297.443 1.999 20 30 CDEDLO Cc1nn(C)c(N)c1C=[NH+]Nc1ccc(C#N)cc1 ZINC000814802993 843860054 /nfs/dbraw/zinc/86/00/54/843860054.db2.gz FQAGPZJDSVSRPA-UHFFFAOYSA-N 1 2 254.297 1.628 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c(OC)cccc2OC)C1 ZINC001031305464 843862990 /nfs/dbraw/zinc/86/29/90/843862990.db2.gz WKTOZRGXSWIHKG-UHFFFAOYSA-N 1 2 288.347 1.141 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cn2c(C)nc3ccccc32)C1 ZINC001030296082 843869499 /nfs/dbraw/zinc/86/94/99/843869499.db2.gz KJQSGDZYHKTSPS-UHFFFAOYSA-N 1 2 298.390 1.721 20 30 CDEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1nc[nH]n1 ZINC000807995458 843869773 /nfs/dbraw/zinc/86/97/73/843869773.db2.gz CWNPNSCPKLXTKK-UHFFFAOYSA-N 1 2 256.313 1.608 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C(C)(C)[C@@H]2CCCCO2)C1 ZINC001030327549 843874135 /nfs/dbraw/zinc/87/41/35/843874135.db2.gz WYZWHNIPUAQCLT-AWEZNQCLSA-N 1 2 280.412 1.958 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cccn3C)cc2C1 ZINC001054256293 843884134 /nfs/dbraw/zinc/88/41/34/843884134.db2.gz UCTNSAULLXESLC-UHFFFAOYSA-N 1 2 293.370 1.904 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cccn3C)cc2C1 ZINC001054256293 843884135 /nfs/dbraw/zinc/88/41/35/843884135.db2.gz UCTNSAULLXESLC-UHFFFAOYSA-N 1 2 293.370 1.904 20 30 CDEDLO Oc1ccc(Cl)cc1/C=N\CC[NH+]1CCOCC1 ZINC000255508418 843898918 /nfs/dbraw/zinc/89/89/18/843898918.db2.gz JJPIOHMPYLDJSX-GDNBJRDFSA-N 1 2 268.744 1.797 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2cccn2)[C@@H]1C ZINC000993017229 843963189 /nfs/dbraw/zinc/96/31/89/843963189.db2.gz XHCXBANCFPKFSV-QWHCGFSZSA-N 1 2 296.802 1.605 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cccn2)[C@@H]1C ZINC000993017229 843963199 /nfs/dbraw/zinc/96/31/99/843963199.db2.gz XHCXBANCFPKFSV-QWHCGFSZSA-N 1 2 296.802 1.605 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccoc2C)C1 ZINC001035282995 843966327 /nfs/dbraw/zinc/96/63/27/843966327.db2.gz JWNPGOTUVUKASV-CYBMUJFWSA-N 1 2 276.336 1.042 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccoc2C)C1 ZINC001035282995 843966343 /nfs/dbraw/zinc/96/63/43/843966343.db2.gz JWNPGOTUVUKASV-CYBMUJFWSA-N 1 2 276.336 1.042 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCn2nccc21 ZINC001017671284 843974137 /nfs/dbraw/zinc/97/41/37/843974137.db2.gz QSQZKFJWFBRUSU-QLFBSQMISA-N 1 2 298.390 1.069 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCn2nccc21 ZINC001017671284 843974159 /nfs/dbraw/zinc/97/41/59/843974159.db2.gz QSQZKFJWFBRUSU-QLFBSQMISA-N 1 2 298.390 1.069 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccncc2F)C1 ZINC001042566138 843976795 /nfs/dbraw/zinc/97/67/95/843976795.db2.gz OZTXTIQHKWOQAY-UHFFFAOYSA-N 1 2 263.316 1.553 20 30 CDEDLO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(F)s2)C1 ZINC001047645875 843999751 /nfs/dbraw/zinc/99/97/51/843999751.db2.gz OAFOYMMQHMVTSI-UWVGGRQHSA-N 1 2 284.356 1.190 20 30 CDEDLO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(F)s2)C1 ZINC001047645875 843999759 /nfs/dbraw/zinc/99/97/59/843999759.db2.gz OAFOYMMQHMVTSI-UWVGGRQHSA-N 1 2 284.356 1.190 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(OC)o1 ZINC001051177380 844676526 /nfs/dbraw/zinc/67/65/26/844676526.db2.gz GOFWAMUTDSKPKZ-LBPRGKRZSA-N 1 2 294.351 1.295 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(OC)o1 ZINC001051177380 844676533 /nfs/dbraw/zinc/67/65/33/844676533.db2.gz GOFWAMUTDSKPKZ-LBPRGKRZSA-N 1 2 294.351 1.295 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cncn1-c1ccccc1 ZINC001038357777 844684959 /nfs/dbraw/zinc/68/49/59/844684959.db2.gz SCWHMDMQZFMKSO-OAHLLOKOSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncn1-c1ccccc1 ZINC001038357777 844684969 /nfs/dbraw/zinc/68/49/69/844684969.db2.gz SCWHMDMQZFMKSO-OAHLLOKOSA-N 1 2 294.358 1.310 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](CC)[C@H]3C2)cc1 ZINC001074312220 844687743 /nfs/dbraw/zinc/68/77/43/844687743.db2.gz JIGKNOBSNQDEEM-IRXDYDNUSA-N 1 2 298.386 1.603 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](CC)[C@H]3C2)cc1 ZINC001074312220 844687748 /nfs/dbraw/zinc/68/77/48/844687748.db2.gz JIGKNOBSNQDEEM-IRXDYDNUSA-N 1 2 298.386 1.603 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001031597861 844693628 /nfs/dbraw/zinc/69/36/28/844693628.db2.gz IANDVMNJRQCGHJ-ITGUQSILSA-N 1 2 268.788 1.833 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCN1c1ccccc1 ZINC001038334401 844713982 /nfs/dbraw/zinc/71/39/82/844713982.db2.gz DPVIWQKKUDSFAD-IAGOWNOFSA-N 1 2 297.402 1.479 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCN1c1ccccc1 ZINC001038334401 844713986 /nfs/dbraw/zinc/71/39/86/844713986.db2.gz DPVIWQKKUDSFAD-IAGOWNOFSA-N 1 2 297.402 1.479 20 30 CDEDLO C[C@H](O)c1cc(NC[C@H](O)C[N@H+](C)CCC#N)ccc1F ZINC000819485204 844745849 /nfs/dbraw/zinc/74/58/49/844745849.db2.gz BOGJJPOOPUZCTP-AAEUAGOBSA-N 1 2 295.358 1.497 20 30 CDEDLO C[C@H](O)c1cc(NC[C@H](O)C[N@@H+](C)CCC#N)ccc1F ZINC000819485204 844745854 /nfs/dbraw/zinc/74/58/54/844745854.db2.gz BOGJJPOOPUZCTP-AAEUAGOBSA-N 1 2 295.358 1.497 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cc(F)c(F)cc2F)C1 ZINC001043969194 844748172 /nfs/dbraw/zinc/74/81/72/844748172.db2.gz QCGOHRJJKODPRK-UHFFFAOYSA-N 1 2 298.308 1.975 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H](C)C[C@H]1CCOC1)C(=O)OC ZINC000796015335 844774751 /nfs/dbraw/zinc/77/47/51/844774751.db2.gz ONMQAHOBIKZMJC-XQQFMLRXSA-N 1 2 271.357 1.135 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(C)cc(F)c1 ZINC000884305862 844813407 /nfs/dbraw/zinc/81/34/07/844813407.db2.gz KRIRHCPHQRQZJA-LBPRGKRZSA-N 1 2 280.299 1.519 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1CCC1)CCO2 ZINC001053120100 844823817 /nfs/dbraw/zinc/82/38/17/844823817.db2.gz MSUKLNCNVWRFIW-UHFFFAOYSA-N 1 2 264.369 1.276 20 30 CDEDLO Cc1nn(-c2ccc(C)cc2)cc1C=NNC1=[NH+]CCN1 ZINC000848411725 844823833 /nfs/dbraw/zinc/82/38/33/844823833.db2.gz CEVICDJJBLENHI-UHFFFAOYSA-N 1 2 282.351 1.372 20 30 CDEDLO C=CC[N@H+]1C[C@H](NC(=O)c2cnns2)CC[C@H]1C ZINC001071371952 844829968 /nfs/dbraw/zinc/82/99/68/844829968.db2.gz WGYLRWNFTOWXKG-NXEZZACHSA-N 1 2 266.370 1.307 20 30 CDEDLO C=CC[N@@H+]1C[C@H](NC(=O)c2cnns2)CC[C@H]1C ZINC001071371952 844829971 /nfs/dbraw/zinc/82/99/71/844829971.db2.gz WGYLRWNFTOWXKG-NXEZZACHSA-N 1 2 266.370 1.307 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csnn1 ZINC001017773860 844832922 /nfs/dbraw/zinc/83/29/22/844832922.db2.gz MUPIMLVDOUYBFK-AOOOYVTPSA-N 1 2 264.354 1.013 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csnn1 ZINC001017773860 844832924 /nfs/dbraw/zinc/83/29/24/844832924.db2.gz MUPIMLVDOUYBFK-AOOOYVTPSA-N 1 2 264.354 1.013 20 30 CDEDLO Cn1ccnc1N=NC1CCN(c2cccc[nH+]2)CC1 ZINC000790302579 844848683 /nfs/dbraw/zinc/84/86/83/844848683.db2.gz VSRDNASGEFOKFX-UHFFFAOYSA-N 1 2 270.340 1.883 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N[C@]3(C)CCN(CC#N)C3)ccn12 ZINC001046315447 844852652 /nfs/dbraw/zinc/85/26/52/844852652.db2.gz VWUWEUJWNRDXHR-MRXNPFEDSA-N 1 2 297.362 1.361 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C)o1)O2 ZINC001053567450 844853398 /nfs/dbraw/zinc/85/33/98/844853398.db2.gz AOASALVQQKJUOU-ZDUSSCGKSA-N 1 2 290.363 1.737 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2C[C@H]3CCC[C@@H]3O2)nn1 ZINC000881397009 844857295 /nfs/dbraw/zinc/85/72/95/844857295.db2.gz SVOJGGAAGQIHGD-SNPRPXQTSA-N 1 2 274.368 1.349 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cc1nnc(-c2ccco2)o1 ZINC000852752920 844868403 /nfs/dbraw/zinc/86/84/03/844868403.db2.gz QMXNXSYAIKHDSH-UHFFFAOYSA-N 1 2 275.308 1.801 20 30 CDEDLO C#CCC[N@H+](CCOC)Cc1nnc(-c2ccco2)o1 ZINC000852752920 844868405 /nfs/dbraw/zinc/86/84/05/844868405.db2.gz QMXNXSYAIKHDSH-UHFFFAOYSA-N 1 2 275.308 1.801 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(F)c(C)c2)C1 ZINC001035495551 845001069 /nfs/dbraw/zinc/00/10/69/845001069.db2.gz JCKPYPBKGCPDSH-CQSZACIVSA-N 1 2 292.354 1.751 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(F)c(C)c2)C1 ZINC001035495551 845001074 /nfs/dbraw/zinc/00/10/74/845001074.db2.gz JCKPYPBKGCPDSH-CQSZACIVSA-N 1 2 292.354 1.751 20 30 CDEDLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)N(C)CCC#N ZINC000845279295 845032913 /nfs/dbraw/zinc/03/29/13/845032913.db2.gz YRVRCSQOUYGVKK-NWDGAFQWSA-N 1 2 292.339 1.138 20 30 CDEDLO C=CCC[NH+]1CC(N(C)C(=O)c2cc(Cl)no2)C1 ZINC001044216414 845037127 /nfs/dbraw/zinc/03/71/27/845037127.db2.gz BYMKPXCSPFHZGB-UHFFFAOYSA-N 1 2 269.732 1.660 20 30 CDEDLO CC[C@@H]([NH2+]C[C@@H]1CCCNC1=O)c1cccc(C#N)c1O ZINC000926574327 845038561 /nfs/dbraw/zinc/03/85/61/845038561.db2.gz CAUMRVHCDJDBGF-GXTWGEPZSA-N 1 2 287.363 1.831 20 30 CDEDLO C=C[C@@H](C)ONC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000844285498 845086598 /nfs/dbraw/zinc/08/65/98/845086598.db2.gz VPZFOIRUWQPFQY-GFCCVEGCSA-N 1 2 290.367 1.987 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000820641820 845140712 /nfs/dbraw/zinc/14/07/12/845140712.db2.gz XQJFNWYOPUTKST-GJZGRUSLSA-N 1 2 293.411 1.295 20 30 CDEDLO CC(C)Cn1ncnc1CO[NH+]=C(N)c1ccc(F)cc1 ZINC000778588005 845161271 /nfs/dbraw/zinc/16/12/71/845161271.db2.gz GNWMDWKWXOEVNH-UHFFFAOYSA-N 1 2 291.330 1.910 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c[nH]c(=O)cc2C)C1 ZINC001043832373 845178397 /nfs/dbraw/zinc/17/83/97/845178397.db2.gz SOEZVEKLFVKTHQ-UHFFFAOYSA-N 1 2 275.352 1.428 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](F)C(C)C)CCO2 ZINC001053380022 845203687 /nfs/dbraw/zinc/20/36/87/845203687.db2.gz LLTVBXZXPBLSLE-CYBMUJFWSA-N 1 2 284.375 1.470 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@](C)(OC)c1ccccc1 ZINC001032739760 845221571 /nfs/dbraw/zinc/22/15/71/845221571.db2.gz WEEXULWRJXMXBR-XYJFISCASA-N 1 2 298.386 1.467 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@](C)(OC)c1ccccc1 ZINC001032739760 845221583 /nfs/dbraw/zinc/22/15/83/845221583.db2.gz WEEXULWRJXMXBR-XYJFISCASA-N 1 2 298.386 1.467 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1nccn1C(F)F)[C@H]1CCCO1 ZINC000775345027 845246364 /nfs/dbraw/zinc/24/63/64/845246364.db2.gz MBAGIWRWFQPRTE-NXEZZACHSA-N 1 2 255.268 1.549 20 30 CDEDLO C=CCCCS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000886468546 845271391 /nfs/dbraw/zinc/27/13/91/845271391.db2.gz FXBZMOLMERICTQ-LBPRGKRZSA-N 1 2 260.403 1.308 20 30 CDEDLO C=CCCCS(=O)(=O)N1CC[N@H+](C)C[C@@H]1CC ZINC000886468546 845271399 /nfs/dbraw/zinc/27/13/99/845271399.db2.gz FXBZMOLMERICTQ-LBPRGKRZSA-N 1 2 260.403 1.308 20 30 CDEDLO Cc1c(Cl)cccc1NC(=O)[C@H](C)O[NH+]=C(N)CCO ZINC000121362643 845349476 /nfs/dbraw/zinc/34/94/76/845349476.db2.gz FVZCBQVFCUBDOL-VIFPVBQESA-N 1 2 299.758 1.647 20 30 CDEDLO Cc1noc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H](C)C#N)n1 ZINC000959918784 845372780 /nfs/dbraw/zinc/37/27/80/845372780.db2.gz JHJFSEYKZAUDSX-PWSUYJOCSA-N 1 2 291.355 1.008 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N=C3C[C@H](C)ON3)ccn12 ZINC000847624487 845397493 /nfs/dbraw/zinc/39/74/93/845397493.db2.gz RQEINBLSUPAKSM-VIFPVBQESA-N 1 2 258.281 1.495 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[C@H](C)C1 ZINC000884102654 845416853 /nfs/dbraw/zinc/41/68/53/845416853.db2.gz JFCKYYMJOFTVIM-AVGNSLFASA-N 1 2 282.384 1.376 20 30 CDEDLO CC1(C#N)CC[NH+](CN2C[C@H]3CCCCN3C2=O)CC1 ZINC000872597152 845453937 /nfs/dbraw/zinc/45/39/37/845453937.db2.gz SOPWUTAOZQGWCF-CYBMUJFWSA-N 1 2 276.384 1.860 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000843425284 845470233 /nfs/dbraw/zinc/47/02/33/845470233.db2.gz JKXHXCGJJIRMLG-CYBMUJFWSA-N 1 2 266.728 1.896 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000843425284 845470237 /nfs/dbraw/zinc/47/02/37/845470237.db2.gz JKXHXCGJJIRMLG-CYBMUJFWSA-N 1 2 266.728 1.896 20 30 CDEDLO C=C(C)CC[NH+]1CC(N(C)C(=O)c2cc(CC)[nH]n2)C1 ZINC001042493857 845505727 /nfs/dbraw/zinc/50/57/27/845505727.db2.gz SYMWVRXDJHDDSV-UHFFFAOYSA-N 1 2 276.384 1.695 20 30 CDEDLO C=CC[N@H+](CN1C[C@](C)(COC)CC1=O)[C@H](C)COC ZINC000853534071 845524116 /nfs/dbraw/zinc/52/41/16/845524116.db2.gz GJKXZMLGBXTELD-UKRRQHHQSA-N 1 2 284.400 1.352 20 30 CDEDLO C=CC[N@@H+](CN1C[C@](C)(COC)CC1=O)[C@H](C)COC ZINC000853534071 845524121 /nfs/dbraw/zinc/52/41/21/845524121.db2.gz GJKXZMLGBXTELD-UKRRQHHQSA-N 1 2 284.400 1.352 20 30 CDEDLO C#CCO[C@H](C)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000837852339 845571396 /nfs/dbraw/zinc/57/13/96/845571396.db2.gz PLFFDZLKTTYYHC-CYBMUJFWSA-N 1 2 284.315 1.954 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCc2ncnn2CCF)ccc1F ZINC000853656778 845593963 /nfs/dbraw/zinc/59/39/63/845593963.db2.gz AZDRYDOSOSITSY-UHFFFAOYSA-N 1 2 295.293 1.532 20 30 CDEDLO Cc1conc1C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)C#N ZINC000960503171 845605970 /nfs/dbraw/zinc/60/59/70/845605970.db2.gz PMLYXKUUQNGIFR-DGCLKSJQSA-N 1 2 290.367 1.566 20 30 CDEDLO Cc1conc1C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)C#N ZINC000960503171 845605981 /nfs/dbraw/zinc/60/59/81/845605981.db2.gz PMLYXKUUQNGIFR-DGCLKSJQSA-N 1 2 290.367 1.566 20 30 CDEDLO CC[C@@H]1CC[N@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794630813 845676828 /nfs/dbraw/zinc/67/68/28/845676828.db2.gz JJSBXQVNZTWSMF-SNVBAGLBSA-N 1 2 265.386 1.707 20 30 CDEDLO CC[C@@H]1CC[N@@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794630813 845676835 /nfs/dbraw/zinc/67/68/35/845676835.db2.gz JJSBXQVNZTWSMF-SNVBAGLBSA-N 1 2 265.386 1.707 20 30 CDEDLO NC(CCO)=[NH+]OCc1ncc(-c2cccs2)o1 ZINC000121412835 845680952 /nfs/dbraw/zinc/68/09/52/845680952.db2.gz FIBXXFDOQWWPCZ-UHFFFAOYSA-N 1 2 267.310 1.574 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC001031452888 845687583 /nfs/dbraw/zinc/68/75/83/845687583.db2.gz XTBBINWOAHJLSQ-UHFFFAOYSA-N 1 2 294.398 1.932 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)C3=CCOCC3)cc2C1 ZINC001054262942 845712938 /nfs/dbraw/zinc/71/29/38/845712938.db2.gz YAJSHLMGUKAIKB-UHFFFAOYSA-N 1 2 296.370 1.598 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)C3=CCOCC3)cc2C1 ZINC001054262942 845712942 /nfs/dbraw/zinc/71/29/42/845712942.db2.gz YAJSHLMGUKAIKB-UHFFFAOYSA-N 1 2 296.370 1.598 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2C[C@]23CCOC3)C1 ZINC001044153770 845727113 /nfs/dbraw/zinc/72/71/13/845727113.db2.gz LAEFXVAQRFWTQO-HIFRSBDPSA-N 1 2 264.369 1.132 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c(C)c(C)n[nH]c2=O)C1 ZINC001043503308 845766675 /nfs/dbraw/zinc/76/66/75/845766675.db2.gz SHQBZXAPEGZPKP-UHFFFAOYSA-N 1 2 290.367 1.131 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(C)c(OC)c2)C1 ZINC001043267919 845802627 /nfs/dbraw/zinc/80/26/27/845802627.db2.gz HEJCCKYYLSEATD-UHFFFAOYSA-N 1 2 286.375 1.783 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+](CCF)CC2)nc1 ZINC000989512398 845811262 /nfs/dbraw/zinc/81/12/62/845811262.db2.gz ICBJWTOJAHYSNQ-UHFFFAOYSA-N 1 2 275.327 1.180 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCC[N@H+](CCF)CC2)nc1 ZINC000989512398 845811263 /nfs/dbraw/zinc/81/12/63/845811263.db2.gz ICBJWTOJAHYSNQ-UHFFFAOYSA-N 1 2 275.327 1.180 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cccnc2)C1 ZINC001007132124 845821329 /nfs/dbraw/zinc/82/13/29/845821329.db2.gz YDHMCIUKYDNZTF-AWEZNQCLSA-N 1 2 293.798 1.957 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cccnc2)C1 ZINC001007132124 845821333 /nfs/dbraw/zinc/82/13/33/845821333.db2.gz YDHMCIUKYDNZTF-AWEZNQCLSA-N 1 2 293.798 1.957 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccncc2)C1 ZINC001009900646 845832848 /nfs/dbraw/zinc/83/28/48/845832848.db2.gz VNSOMNYIYAUKRS-LBPRGKRZSA-N 1 2 265.744 1.638 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccncc2)C1 ZINC001009900646 845832856 /nfs/dbraw/zinc/83/28/56/845832856.db2.gz VNSOMNYIYAUKRS-LBPRGKRZSA-N 1 2 265.744 1.638 20 30 CDEDLO C#CCOCCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000163047229 845861994 /nfs/dbraw/zinc/86/19/94/845861994.db2.gz SQHCLBIDIABIKX-UHFFFAOYSA-N 1 2 269.304 1.851 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCO[C@@H]3C)cc2C1 ZINC001054286466 845882592 /nfs/dbraw/zinc/88/25/92/845882592.db2.gz GEISYDJWPCGXRD-CXAGYDPISA-N 1 2 298.386 1.677 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCO[C@@H]3C)cc2C1 ZINC001054286466 845882598 /nfs/dbraw/zinc/88/25/98/845882598.db2.gz GEISYDJWPCGXRD-CXAGYDPISA-N 1 2 298.386 1.677 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccncc1 ZINC001050789923 845886911 /nfs/dbraw/zinc/88/69/11/845886911.db2.gz MZXBOOSDGARKCZ-OAHLLOKOSA-N 1 2 289.379 1.478 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccncc1 ZINC001050789923 845886914 /nfs/dbraw/zinc/88/69/14/845886914.db2.gz MZXBOOSDGARKCZ-OAHLLOKOSA-N 1 2 289.379 1.478 20 30 CDEDLO C#Cc1cccc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000854262737 845913682 /nfs/dbraw/zinc/91/36/82/845913682.db2.gz KNTWHMKFUGIMKD-MRXNPFEDSA-N 1 2 299.374 1.606 20 30 CDEDLO Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000829976042 845947534 /nfs/dbraw/zinc/94/75/34/845947534.db2.gz VUCBPFIEGRYHRW-GFCCVEGCSA-N 1 2 268.748 1.232 20 30 CDEDLO Cc1nn(C)c(Cl)c1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000829976042 845947544 /nfs/dbraw/zinc/94/75/44/845947544.db2.gz VUCBPFIEGRYHRW-GFCCVEGCSA-N 1 2 268.748 1.232 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1CCC)CCO2 ZINC001053421110 845986343 /nfs/dbraw/zinc/98/63/43/845986343.db2.gz WOSNOWDCEIELIB-HUUCEWRRSA-N 1 2 292.423 1.912 20 30 CDEDLO CC(C)OC[C@H]1C[N@H+](CCO[C@H](C)C#N)CCO1 ZINC000801942850 846105927 /nfs/dbraw/zinc/10/59/27/846105927.db2.gz WRRFZPOJRWSPAQ-CHWSQXEVSA-N 1 2 256.346 1.041 20 30 CDEDLO CC(C)OC[C@H]1C[N@@H+](CCO[C@H](C)C#N)CCO1 ZINC000801942850 846105931 /nfs/dbraw/zinc/10/59/31/846105931.db2.gz WRRFZPOJRWSPAQ-CHWSQXEVSA-N 1 2 256.346 1.041 20 30 CDEDLO CN(C)c1nccc(N=NC2CCCc3[nH+]c(N)ccc32)n1 ZINC000834959086 846204680 /nfs/dbraw/zinc/20/46/80/846204680.db2.gz LCLIDIUTOXMSFE-UHFFFAOYSA-N 1 2 297.366 1.672 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnn([C@H](C)CC)c2C)C1 ZINC001031230224 846276306 /nfs/dbraw/zinc/27/63/06/846276306.db2.gz DSKSTKSVVCFARZ-GFCCVEGCSA-N 1 2 288.395 1.600 20 30 CDEDLO C#CCOCCNc1nc(C)[nH+]c(C)c1Br ZINC000853476661 846278542 /nfs/dbraw/zinc/27/85/42/846278542.db2.gz HBOKMASPIRACSQ-UHFFFAOYSA-N 1 2 284.157 1.918 20 30 CDEDLO C=CCC[NH+]1CC(N(C)C(=O)c2ncccc2O)C1 ZINC001042646160 846312932 /nfs/dbraw/zinc/31/29/32/846312932.db2.gz MCRKZEMEUFXXSG-UHFFFAOYSA-N 1 2 261.325 1.120 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1conc1C1CC1 ZINC001038686339 846331392 /nfs/dbraw/zinc/33/13/92/846331392.db2.gz CYCBNEFMTQJPEG-NSHDSACASA-N 1 2 261.325 1.542 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1conc1C1CC1 ZINC001038686339 846331400 /nfs/dbraw/zinc/33/14/00/846331400.db2.gz CYCBNEFMTQJPEG-NSHDSACASA-N 1 2 261.325 1.542 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc[nH]c1C1CCC1 ZINC001038701552 846355325 /nfs/dbraw/zinc/35/53/25/846355325.db2.gz APOHZLIACOLPLE-ZDUSSCGKSA-N 1 2 271.364 1.720 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc[nH]c1C1CCC1 ZINC001038701552 846355335 /nfs/dbraw/zinc/35/53/35/846355335.db2.gz APOHZLIACOLPLE-ZDUSSCGKSA-N 1 2 271.364 1.720 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C(C)C)nc1 ZINC001038349743 846389550 /nfs/dbraw/zinc/38/95/50/846389550.db2.gz MEFKFOIYZMRFFV-AWEZNQCLSA-N 1 2 271.364 1.642 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(C)C)nc1 ZINC001038349743 846389558 /nfs/dbraw/zinc/38/95/58/846389558.db2.gz MEFKFOIYZMRFFV-AWEZNQCLSA-N 1 2 271.364 1.642 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2snnc2C2CC2)C1 ZINC001033164741 846507095 /nfs/dbraw/zinc/50/70/95/846507095.db2.gz HFPJGXOLSXBDNS-NSHDSACASA-N 1 2 290.392 1.195 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2snnc2C2CC2)C1 ZINC001033164741 846507102 /nfs/dbraw/zinc/50/71/02/846507102.db2.gz HFPJGXOLSXBDNS-NSHDSACASA-N 1 2 290.392 1.195 20 30 CDEDLO Cc1nc(NC[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001060824864 846519542 /nfs/dbraw/zinc/51/95/42/846519542.db2.gz KQEQKJXKTNHLBX-JQWIXIFHSA-N 1 2 273.340 1.205 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cnc([C@H](C)OC)s2)C1 ZINC001014426262 846548232 /nfs/dbraw/zinc/54/82/32/846548232.db2.gz ACMLDPKMZREUJD-QWRGUYRKSA-N 1 2 293.392 1.288 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnc([C@H](C)OC)s2)C1 ZINC001014426262 846548242 /nfs/dbraw/zinc/54/82/42/846548242.db2.gz ACMLDPKMZREUJD-QWRGUYRKSA-N 1 2 293.392 1.288 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1CCC ZINC001032425776 846550014 /nfs/dbraw/zinc/55/00/14/846550014.db2.gz JRCUKXPDYMJPDF-KBPBESRZSA-N 1 2 286.379 1.215 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1CCC ZINC001032425776 846550016 /nfs/dbraw/zinc/55/00/16/846550016.db2.gz JRCUKXPDYMJPDF-KBPBESRZSA-N 1 2 286.379 1.215 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC[C@H](CC)O2)C1 ZINC001031709698 846559616 /nfs/dbraw/zinc/55/96/16/846559616.db2.gz XURPANUZRVCPSR-STQMWFEESA-N 1 2 286.803 1.745 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1nc2ccccc2cc1C ZINC001038533828 846564431 /nfs/dbraw/zinc/56/44/31/846564431.db2.gz ZYSRLEIIVMWKMJ-OAHLLOKOSA-N 1 2 293.370 1.981 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc2ccccc2cc1C ZINC001038533828 846564438 /nfs/dbraw/zinc/56/44/38/846564438.db2.gz ZYSRLEIIVMWKMJ-OAHLLOKOSA-N 1 2 293.370 1.981 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccn(CC)n2)C1 ZINC001044003310 846568996 /nfs/dbraw/zinc/56/89/96/846568996.db2.gz KRTKITDTMIBRDL-UHFFFAOYSA-N 1 2 262.357 1.235 20 30 CDEDLO O=C(C#Cc1cccs1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000829949561 846607398 /nfs/dbraw/zinc/60/73/98/846607398.db2.gz VCSOCMIZMHXAFX-NSHDSACASA-N 1 2 271.345 1.427 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccc(OC)cc2F)C1 ZINC001031187425 846630222 /nfs/dbraw/zinc/63/02/22/846630222.db2.gz FBEQMYCGJYWYNP-UHFFFAOYSA-N 1 2 292.354 1.753 20 30 CDEDLO C#CC[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000888661770 846630680 /nfs/dbraw/zinc/63/06/80/846630680.db2.gz CXZSRFCSBCUZKE-HUUCEWRRSA-N 1 2 298.390 1.715 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccn(C)c1)O2 ZINC001053592956 846657998 /nfs/dbraw/zinc/65/79/98/846657998.db2.gz WUMQDSDPQJGMMY-CQSZACIVSA-N 1 2 289.379 1.174 20 30 CDEDLO C#CCNC(=O)CC[N@H+]1CCCC[C@H]1c1noc(CC)n1 ZINC000815018822 846683732 /nfs/dbraw/zinc/68/37/32/846683732.db2.gz CDENVHQPLPCTQQ-LBPRGKRZSA-N 1 2 290.367 1.299 20 30 CDEDLO C#CCNC(=O)CC[N@@H+]1CCCC[C@H]1c1noc(CC)n1 ZINC000815018822 846683741 /nfs/dbraw/zinc/68/37/41/846683741.db2.gz CDENVHQPLPCTQQ-LBPRGKRZSA-N 1 2 290.367 1.299 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2csc(C)n2)C1 ZINC001043627099 846687168 /nfs/dbraw/zinc/68/71/68/846687168.db2.gz PTMCPJVQNROVNI-UHFFFAOYSA-N 1 2 263.366 1.231 20 30 CDEDLO C[C@H]1COc2ccccc2C[N@@H+]1CC(=O)NCCC#N ZINC000782520339 846697759 /nfs/dbraw/zinc/69/77/59/846697759.db2.gz PMJJOOKEHPORFV-LBPRGKRZSA-N 1 2 273.336 1.299 20 30 CDEDLO C[C@H]1COc2ccccc2C[N@H+]1CC(=O)NCCC#N ZINC000782520339 846697764 /nfs/dbraw/zinc/69/77/64/846697764.db2.gz PMJJOOKEHPORFV-LBPRGKRZSA-N 1 2 273.336 1.299 20 30 CDEDLO COCC[N@H+](CC[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000929395998 846705034 /nfs/dbraw/zinc/70/50/34/846705034.db2.gz XWDDIJZFXFHUMS-UHFFFAOYSA-N 1 2 263.297 1.283 20 30 CDEDLO COCC[N@@H+](CC[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000929395998 846705041 /nfs/dbraw/zinc/70/50/41/846705041.db2.gz XWDDIJZFXFHUMS-UHFFFAOYSA-N 1 2 263.297 1.283 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]12C[C@H]1CCCC2 ZINC001032614113 846817656 /nfs/dbraw/zinc/81/76/56/846817656.db2.gz BBKXQFFIGFIROY-WBTNSWJXSA-N 1 2 272.392 1.875 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]12C[C@H]1CCCC2 ZINC001032614113 846817664 /nfs/dbraw/zinc/81/76/64/846817664.db2.gz BBKXQFFIGFIROY-WBTNSWJXSA-N 1 2 272.392 1.875 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001032810290 846845637 /nfs/dbraw/zinc/84/56/37/846845637.db2.gz ZIZWYRGWFRKTJT-LUKYLMHMSA-N 1 2 298.361 1.848 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001032810290 846845646 /nfs/dbraw/zinc/84/56/46/846845646.db2.gz ZIZWYRGWFRKTJT-LUKYLMHMSA-N 1 2 298.361 1.848 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C(F)F)c1 ZINC001032589246 846858667 /nfs/dbraw/zinc/85/86/67/846858667.db2.gz ILPFGGCVCRXHBT-QWRGUYRKSA-N 1 2 280.274 1.749 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C(F)F)c1 ZINC001032589246 846858671 /nfs/dbraw/zinc/85/86/71/846858671.db2.gz ILPFGGCVCRXHBT-QWRGUYRKSA-N 1 2 280.274 1.749 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(F)cc2F)C1 ZINC001035592496 846862530 /nfs/dbraw/zinc/86/25/30/846862530.db2.gz LRKSACOUMZLAMU-GFCCVEGCSA-N 1 2 296.317 1.581 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(F)cc2F)C1 ZINC001035592496 846862537 /nfs/dbraw/zinc/86/25/37/846862537.db2.gz LRKSACOUMZLAMU-GFCCVEGCSA-N 1 2 296.317 1.581 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CO[C@H](C)C1 ZINC001017675815 846878949 /nfs/dbraw/zinc/87/89/49/846878949.db2.gz KZJRUUXKSGUDPW-TUVASFSCSA-N 1 2 276.380 1.110 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CO[C@H](C)C1 ZINC001017675815 846878955 /nfs/dbraw/zinc/87/89/55/846878955.db2.gz KZJRUUXKSGUDPW-TUVASFSCSA-N 1 2 276.380 1.110 20 30 CDEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C(C)(C)C)C2)CC1 ZINC001052111634 846879835 /nfs/dbraw/zinc/87/98/35/846879835.db2.gz AVYYZQZPAOGIOL-HNNXBMFYSA-N 1 2 291.439 1.274 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)CC(C)(C)C)CC1 ZINC000805452624 846902586 /nfs/dbraw/zinc/90/25/86/846902586.db2.gz IFEYYMOAPHHYPH-UHFFFAOYSA-N 1 2 279.380 1.880 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC001038793613 846915992 /nfs/dbraw/zinc/91/59/92/846915992.db2.gz ZDLYGOKUNIQMDO-CWRNSKLLSA-N 1 2 298.386 1.622 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC001038793613 846915999 /nfs/dbraw/zinc/91/59/99/846915999.db2.gz ZDLYGOKUNIQMDO-CWRNSKLLSA-N 1 2 298.386 1.622 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2scnc2Cl)C1 ZINC001034041248 846937760 /nfs/dbraw/zinc/93/77/60/846937760.db2.gz FTZRNHNHNLOSIJ-SNVBAGLBSA-N 1 2 297.811 1.966 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2scnc2Cl)C1 ZINC001034041248 846937765 /nfs/dbraw/zinc/93/77/65/846937765.db2.gz FTZRNHNHNLOSIJ-SNVBAGLBSA-N 1 2 297.811 1.966 20 30 CDEDLO Cc1nc(C#N)cc(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC000881871820 846939673 /nfs/dbraw/zinc/93/96/73/846939673.db2.gz VJUFEQISUKWJLD-UHFFFAOYSA-N 1 2 268.324 1.695 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)CCC(=O)C2CC2)n1 ZINC000789330178 847063305 /nfs/dbraw/zinc/06/33/05/847063305.db2.gz ZDFSQRZCNUHAHK-UHFFFAOYSA-N 1 2 259.353 1.707 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)CCC(=O)C2CC2)n1 ZINC000789330178 847063308 /nfs/dbraw/zinc/06/33/08/847063308.db2.gz ZDFSQRZCNUHAHK-UHFFFAOYSA-N 1 2 259.353 1.707 20 30 CDEDLO C=CC[N@@H+](Cc1ccc(C)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000876630093 847092014 /nfs/dbraw/zinc/09/20/14/847092014.db2.gz QZNQXMOUQURJMG-AWEZNQCLSA-N 1 2 295.404 1.876 20 30 CDEDLO C=CC[N@H+](Cc1ccc(C)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000876630093 847092024 /nfs/dbraw/zinc/09/20/24/847092024.db2.gz QZNQXMOUQURJMG-AWEZNQCLSA-N 1 2 295.404 1.876 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(C#N)o2)C1 ZINC000351262064 847098358 /nfs/dbraw/zinc/09/83/58/847098358.db2.gz OCSUCSDCOOVSRW-NSHDSACASA-N 1 2 284.319 1.905 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C(C)(C)c2c(C)noc2C)C1 ZINC001030819357 847105805 /nfs/dbraw/zinc/10/58/05/847105805.db2.gz BZXKLMAAQMRDBX-UHFFFAOYSA-N 1 2 291.395 1.946 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cc3ccncc3s2)C1 ZINC001014732521 847217115 /nfs/dbraw/zinc/21/71/15/847217115.db2.gz UZLSUQKEDLEQTP-LBPRGKRZSA-N 1 2 285.372 1.734 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc3ccncc3s2)C1 ZINC001014732521 847217120 /nfs/dbraw/zinc/21/71/20/847217120.db2.gz UZLSUQKEDLEQTP-LBPRGKRZSA-N 1 2 285.372 1.734 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)OCc1ccc[nH+]c1N ZINC000922633136 847257086 /nfs/dbraw/zinc/25/70/86/847257086.db2.gz YWDXAKVVSDPZLR-AWEZNQCLSA-N 1 2 264.325 1.936 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2c[nH]cc2C2CC2)C1 ZINC001044112200 847259031 /nfs/dbraw/zinc/25/90/31/847259031.db2.gz OJHXCGMGGPYSTQ-UHFFFAOYSA-N 1 2 259.353 1.834 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cnccn2)CC[C@@H]1C ZINC001071321068 847296706 /nfs/dbraw/zinc/29/67/06/847296706.db2.gz CKAVMLJZFBYVEQ-RYUDHWBXSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cnccn2)CC[C@@H]1C ZINC001071321068 847296715 /nfs/dbraw/zinc/29/67/15/847296715.db2.gz CKAVMLJZFBYVEQ-RYUDHWBXSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C[C@H](CC)CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000935713126 847308479 /nfs/dbraw/zinc/30/84/79/847308479.db2.gz PGOYVIRHLLWBAU-ZIAGYGMSSA-N 1 2 268.401 1.768 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2coc(C(F)F)c2)CC1 ZINC000859003828 847334375 /nfs/dbraw/zinc/33/43/75/847334375.db2.gz VQFPSMXRDOXMPG-UHFFFAOYSA-N 1 2 282.290 1.998 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc3nnn(C)c3c2)C1 ZINC001044236219 847348591 /nfs/dbraw/zinc/34/85/91/847348591.db2.gz GWCAWXQWSDAQHS-UHFFFAOYSA-N 1 2 299.378 1.301 20 30 CDEDLO CCCNc1cc(N2CC[C@](O)(CC#N)C2)nc[nH+]1 ZINC000865899821 847382263 /nfs/dbraw/zinc/38/22/63/847382263.db2.gz PRWHRWBTAWMZGI-CYBMUJFWSA-N 1 2 261.329 1.153 20 30 CDEDLO CCCNc1cc(N2CC[C@](O)(CC#N)C2)[nH+]cn1 ZINC000865899821 847382266 /nfs/dbraw/zinc/38/22/66/847382266.db2.gz PRWHRWBTAWMZGI-CYBMUJFWSA-N 1 2 261.329 1.153 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@]2(c3ccccc3)CCCO2)C1 ZINC001031311453 847402363 /nfs/dbraw/zinc/40/23/63/847402363.db2.gz RYOGGXIFMZTWMU-GOSISDBHSA-N 1 2 298.386 1.516 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(F)(F)F)ccn1 ZINC001038872778 847403913 /nfs/dbraw/zinc/40/39/13/847403913.db2.gz WHBCIDXRBAEHTD-NSHDSACASA-N 1 2 297.280 1.538 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(F)(F)F)ccn1 ZINC001038872778 847403923 /nfs/dbraw/zinc/40/39/23/847403923.db2.gz WHBCIDXRBAEHTD-NSHDSACASA-N 1 2 297.280 1.538 20 30 CDEDLO C#CCCOc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)cc1 ZINC000191526203 847439901 /nfs/dbraw/zinc/43/99/01/847439901.db2.gz RXWNYMBRUSYWMH-RHSMWYFYSA-N 1 2 289.375 1.670 20 30 CDEDLO C#CCCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)cc1 ZINC000191526203 847439905 /nfs/dbraw/zinc/43/99/05/847439905.db2.gz RXWNYMBRUSYWMH-RHSMWYFYSA-N 1 2 289.375 1.670 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncoc1-c1ccccc1 ZINC001038316797 847485365 /nfs/dbraw/zinc/48/53/65/847485365.db2.gz DOLJEBQABUGFGT-CQSZACIVSA-N 1 2 295.342 1.779 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncoc1-c1ccccc1 ZINC001038316797 847485370 /nfs/dbraw/zinc/48/53/70/847485370.db2.gz DOLJEBQABUGFGT-CQSZACIVSA-N 1 2 295.342 1.779 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875556223 847488994 /nfs/dbraw/zinc/48/89/94/847488994.db2.gz FOTWHWLQOCEQLK-KGLIPLIRSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875556223 847489000 /nfs/dbraw/zinc/48/90/00/847489000.db2.gz FOTWHWLQOCEQLK-KGLIPLIRSA-N 1 2 283.416 1.751 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1cccnc1 ZINC001032735741 847545401 /nfs/dbraw/zinc/54/54/01/847545401.db2.gz GNWJXXSGDNNCLY-BPUTZDHNSA-N 1 2 283.375 1.494 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1cccnc1 ZINC001032735741 847545412 /nfs/dbraw/zinc/54/54/12/847545412.db2.gz GNWJXXSGDNNCLY-BPUTZDHNSA-N 1 2 283.375 1.494 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)sn1 ZINC001017508849 847560079 /nfs/dbraw/zinc/56/00/79/847560079.db2.gz HPWOSICUYGYFRO-TXEJJXNPSA-N 1 2 277.393 1.926 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)sn1 ZINC001017508849 847560081 /nfs/dbraw/zinc/56/00/81/847560081.db2.gz HPWOSICUYGYFRO-TXEJJXNPSA-N 1 2 277.393 1.926 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2CC[C@@H](C)O2)C1 ZINC001043745191 847573541 /nfs/dbraw/zinc/57/35/41/847573541.db2.gz QECWCLNUZRZLNR-DGCLKSJQSA-N 1 2 252.358 1.273 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1ccns1 ZINC001038310211 847581053 /nfs/dbraw/zinc/58/10/53/847581053.db2.gz OJWAHVLWWHNXSN-JTQLQIEISA-N 1 2 251.355 1.523 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1ccns1 ZINC001038310211 847581058 /nfs/dbraw/zinc/58/10/58/847581058.db2.gz OJWAHVLWWHNXSN-JTQLQIEISA-N 1 2 251.355 1.523 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001035515272 847582711 /nfs/dbraw/zinc/58/27/11/847582711.db2.gz PIKBSJHEBSZDRM-QLFBSQMISA-N 1 2 280.412 1.672 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001035515272 847582727 /nfs/dbraw/zinc/58/27/27/847582727.db2.gz PIKBSJHEBSZDRM-QLFBSQMISA-N 1 2 280.412 1.672 20 30 CDEDLO C#C[C@H]([NH2+]Cc1cn(-c2ccccc2C)nn1)[C@H]1CCCO1 ZINC000808407456 847588886 /nfs/dbraw/zinc/58/88/86/847588886.db2.gz ZFXBSDPXDNRMPO-DOTOQJQBSA-N 1 2 296.374 1.846 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ocnc1CC ZINC001038680165 847607899 /nfs/dbraw/zinc/60/78/99/847607899.db2.gz KUGJRWFVNZXHOU-LLVKDONJSA-N 1 2 261.325 1.064 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ocnc1CC ZINC001038680165 847607906 /nfs/dbraw/zinc/60/79/06/847607906.db2.gz KUGJRWFVNZXHOU-LLVKDONJSA-N 1 2 261.325 1.064 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(C(F)(F)F)c1 ZINC001038879606 847625596 /nfs/dbraw/zinc/62/55/96/847625596.db2.gz PUWSKPBXHPYHSN-LLVKDONJSA-N 1 2 297.280 1.538 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc(C(F)(F)F)c1 ZINC001038879606 847625601 /nfs/dbraw/zinc/62/56/01/847625601.db2.gz PUWSKPBXHPYHSN-LLVKDONJSA-N 1 2 297.280 1.538 20 30 CDEDLO N#CC1(CNC(=O)N2CCC(Nc3cccc[nH+]3)CC2)CC1 ZINC000922311643 847639938 /nfs/dbraw/zinc/63/99/38/847639938.db2.gz JABQQQMIQPQYNO-UHFFFAOYSA-N 1 2 299.378 1.971 20 30 CDEDLO C=C[C@@H](C)ONC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000845623410 847647541 /nfs/dbraw/zinc/64/75/41/847647541.db2.gz QSJWUMVEXYLQSV-VXGBXAGGSA-N 1 2 278.356 1.815 20 30 CDEDLO C#CCSCCOC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000835439794 847654173 /nfs/dbraw/zinc/65/41/73/847654173.db2.gz PWOIGXHBRPOZOU-LBPRGKRZSA-N 1 2 255.383 1.770 20 30 CDEDLO C#CCSCCOC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000835439794 847654177 /nfs/dbraw/zinc/65/41/77/847654177.db2.gz PWOIGXHBRPOZOU-LBPRGKRZSA-N 1 2 255.383 1.770 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1OCCc2ccccc21 ZINC001038577836 847673967 /nfs/dbraw/zinc/67/39/67/847673967.db2.gz FDXUVDPYTZCPOL-ZBFHGGJFSA-N 1 2 284.359 1.124 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1OCCc2ccccc21 ZINC001038577836 847673974 /nfs/dbraw/zinc/67/39/74/847673974.db2.gz FDXUVDPYTZCPOL-ZBFHGGJFSA-N 1 2 284.359 1.124 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)ccc1F ZINC001038749647 847708793 /nfs/dbraw/zinc/70/87/93/847708793.db2.gz MXYFZFVMLJKFKA-ZDUSSCGKSA-N 1 2 274.339 1.962 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)ccc1F ZINC001038749647 847708794 /nfs/dbraw/zinc/70/87/94/847708794.db2.gz MXYFZFVMLJKFKA-ZDUSSCGKSA-N 1 2 274.339 1.962 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2ccc(NC(C)=O)cc2)C1 ZINC001030623921 847762906 /nfs/dbraw/zinc/76/29/06/847762906.db2.gz DCUAODXGDVACPB-UHFFFAOYSA-N 1 2 287.363 1.174 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000811925355 847782363 /nfs/dbraw/zinc/78/23/63/847782363.db2.gz LKPKQTMVGIQWMH-HNNXBMFYSA-N 1 2 295.346 1.778 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC1(C)C)O2 ZINC001053590511 847828793 /nfs/dbraw/zinc/82/87/93/847828793.db2.gz JUMSTWIRONUKBE-CHWSQXEVSA-N 1 2 278.396 1.568 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](CNC(=O)c2n[nH]c3ccccc32)C1 ZINC001023733242 847830152 /nfs/dbraw/zinc/83/01/52/847830152.db2.gz FRAQXAPEZINHTK-ZDUSSCGKSA-N 1 2 296.374 1.638 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2n[nH]c3ccccc32)C1 ZINC001023733242 847830155 /nfs/dbraw/zinc/83/01/55/847830155.db2.gz FRAQXAPEZINHTK-ZDUSSCGKSA-N 1 2 296.374 1.638 20 30 CDEDLO CCc1nn(C)c(Cl)c1C=NNc1cc(C)[nH+]c(N)n1 ZINC000872420139 847877825 /nfs/dbraw/zinc/87/78/25/847877825.db2.gz KSINMHVGBHOTFR-UHFFFAOYSA-N 1 2 293.762 1.763 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@]23CCO[C@@H]2CCCC3)C1 ZINC001043314930 847933258 /nfs/dbraw/zinc/93/32/58/847933258.db2.gz MWKZYXRBPQQIIB-NVXWUHKLSA-N 1 2 290.407 1.502 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](CC)C1 ZINC000884091488 847962183 /nfs/dbraw/zinc/96/21/83/847962183.db2.gz ZSHKYNQFURNRMI-RYUDHWBXSA-N 1 2 268.357 1.082 20 30 CDEDLO C#CC1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000825527270 848018718 /nfs/dbraw/zinc/01/87/18/848018718.db2.gz YUDGQHOJORFPCY-UHFFFAOYSA-N 1 2 293.411 1.152 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001646619367 1167985644 /nfs/dbraw/zinc/98/56/44/1167985644.db2.gz UZNHDRBZKGKTIG-MFKMUULPSA-N 1 2 277.755 1.973 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001095038255 912234291 /nfs/dbraw/zinc/23/42/91/912234291.db2.gz YNYCPEPHAPOARY-IUODEOHRSA-N 1 2 290.367 1.125 20 30 CDEDLO C=CCOCC(=O)N1CC[C@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001095095516 912384534 /nfs/dbraw/zinc/38/45/34/912384534.db2.gz JGTVFXXLRPEFHR-ZDUSSCGKSA-N 1 2 290.367 1.025 20 30 CDEDLO C=CCOC1CCC([NH2+][C@@H](C(=O)OC)[C@@H](C)O)CC1 ZINC001173314317 912451817 /nfs/dbraw/zinc/45/18/17/912451817.db2.gz NXGIAGSUQXDZPE-IKWCTNDRSA-N 1 2 271.357 1.012 20 30 CDEDLO C[S@](=O)c1c[nH]c2nc[nH+]c(NCCCCC#N)c12 ZINC001168427801 912687826 /nfs/dbraw/zinc/68/78/26/912687826.db2.gz NTFPDOZHCQIOQG-IBGZPJMESA-N 1 2 277.353 1.753 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001031105186 913611012 /nfs/dbraw/zinc/61/10/12/913611012.db2.gz HGVDYNMCDXFOPG-GFCCVEGCSA-N 1 2 284.359 1.447 20 30 CDEDLO CC(C)(C#N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001143399586 896143544 /nfs/dbraw/zinc/14/35/44/896143544.db2.gz TYEQDRVBXKIUQD-LLVKDONJSA-N 1 2 285.338 1.868 20 30 CDEDLO C=CCCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(F)F)C[C@@H]21 ZINC001176871587 914316458 /nfs/dbraw/zinc/31/64/58/914316458.db2.gz MNHHDAKNKOKCMO-NWDGAFQWSA-N 1 2 288.338 1.519 20 30 CDEDLO C=CCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(F)F)C[C@@H]21 ZINC001176871587 914316470 /nfs/dbraw/zinc/31/64/70/914316470.db2.gz MNHHDAKNKOKCMO-NWDGAFQWSA-N 1 2 288.338 1.519 20 30 CDEDLO CC(C)(CNC(=O)c1ccc(C#N)cc1)n1cc[nH+]c1 ZINC000692555818 899573815 /nfs/dbraw/zinc/57/38/15/899573815.db2.gz WZIUWDZFTVLYMO-UHFFFAOYSA-N 1 2 268.320 1.920 20 30 CDEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)c2[nH]ncc2F)[C@H]1C ZINC000993740595 914393173 /nfs/dbraw/zinc/39/31/73/914393173.db2.gz JFXVZYLQEDPYJG-MWLCHTKSSA-N 1 2 266.320 1.318 20 30 CDEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2[nH]ncc2F)[C@H]1C ZINC000993740595 914393189 /nfs/dbraw/zinc/39/31/89/914393189.db2.gz JFXVZYLQEDPYJG-MWLCHTKSSA-N 1 2 266.320 1.318 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C#CC(C)C)C[C@@H]21 ZINC001177020121 914438349 /nfs/dbraw/zinc/43/83/49/914438349.db2.gz WBWNNVMYQLWMJL-HOTGVXAUSA-N 1 2 290.407 1.524 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C#CC(C)C)C[C@@H]21 ZINC001177020121 914438356 /nfs/dbraw/zinc/43/83/56/914438356.db2.gz WBWNNVMYQLWMJL-HOTGVXAUSA-N 1 2 290.407 1.524 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)s2)[C@@H](O)C1 ZINC001083313641 900870459 /nfs/dbraw/zinc/87/04/59/900870459.db2.gz TXYXTOYGFLTCNA-MNOVXSKESA-N 1 2 266.366 1.017 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)s2)[C@@H](O)C1 ZINC001083313641 900870466 /nfs/dbraw/zinc/87/04/66/900870466.db2.gz TXYXTOYGFLTCNA-MNOVXSKESA-N 1 2 266.366 1.017 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2O)CC1 ZINC001083751408 914529068 /nfs/dbraw/zinc/52/90/68/914529068.db2.gz UYXCVCVSJNFSMU-GUFIUSKKSA-N 1 2 298.814 1.647 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]2O)CC1 ZINC001083751408 914529081 /nfs/dbraw/zinc/52/90/81/914529081.db2.gz UYXCVCVSJNFSMU-GUFIUSKKSA-N 1 2 298.814 1.647 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2c(C)onc2CC)C1 ZINC001031381536 914586561 /nfs/dbraw/zinc/58/65/61/914586561.db2.gz ODASADVKXMEBOY-UHFFFAOYSA-N 1 2 263.341 1.536 20 30 CDEDLO Cc1cccc(O[C@@H](C)C[NH+]2CCOCC2)c1C#N ZINC001226920420 905847350 /nfs/dbraw/zinc/84/73/50/905847350.db2.gz RGYDHHAPSVYVAB-ZDUSSCGKSA-N 1 2 260.337 1.966 20 30 CDEDLO C=CC[C@H]([NH2+][C@H]1Cc2ccc(OC)cc2C1)C(=O)OC ZINC001168242233 907968559 /nfs/dbraw/zinc/96/85/59/907968559.db2.gz WPRDROLYRHUNFV-ZFWWWQNUSA-N 1 2 275.348 1.870 20 30 CDEDLO CS(=O)(=O)[C@H]1C[C@@H](Nc2[nH+]cccc2CC#N)C1 ZINC001168248295 907986756 /nfs/dbraw/zinc/98/67/56/907986756.db2.gz RNOQLGDGUBRXEZ-PHIMTYICSA-N 1 2 265.338 1.135 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cnnn2CC)C1 ZINC001189280049 921397260 /nfs/dbraw/zinc/39/72/60/921397260.db2.gz PUELIWMXOUTODB-CYBMUJFWSA-N 1 2 291.399 1.297 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2cnnn2CC)C1 ZINC001189280049 921397270 /nfs/dbraw/zinc/39/72/70/921397270.db2.gz PUELIWMXOUTODB-CYBMUJFWSA-N 1 2 291.399 1.297 20 30 CDEDLO CC(C)(C)C#CC(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001126893500 909594141 /nfs/dbraw/zinc/59/41/41/909594141.db2.gz OYCDCBDMLKRGRK-UHFFFAOYSA-N 1 2 290.367 1.202 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC)s2)C1 ZINC001077324907 910269348 /nfs/dbraw/zinc/26/93/48/910269348.db2.gz CSSODSSLLWXKIS-VXGBXAGGSA-N 1 2 280.393 1.271 20 30 CDEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC)s2)C1 ZINC001077324907 910269365 /nfs/dbraw/zinc/26/93/65/910269365.db2.gz CSSODSSLLWXKIS-VXGBXAGGSA-N 1 2 280.393 1.271 20 30 CDEDLO CCN1CC[C@H]([N@H+](CCC#N)Cc2cccnc2)CC1=O ZINC001172034512 911159227 /nfs/dbraw/zinc/15/92/27/911159227.db2.gz DBCWEPIOWNTYMD-HNNXBMFYSA-N 1 2 286.379 1.808 20 30 CDEDLO CCN1CC[C@H]([N@@H+](CCC#N)Cc2cccnc2)CC1=O ZINC001172034512 911159236 /nfs/dbraw/zinc/15/92/36/911159236.db2.gz DBCWEPIOWNTYMD-HNNXBMFYSA-N 1 2 286.379 1.808 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H](C)CCOCC(C)C ZINC001172454059 911709089 /nfs/dbraw/zinc/70/90/89/911709089.db2.gz IUARKNGQMMEZSS-RYUDHWBXSA-N 1 2 277.430 1.889 20 30 CDEDLO COC(=O)[C@@H]1CCC[C@H]([NH2+]C2(C#N)CCOCC2)CC1 ZINC001172778188 911962746 /nfs/dbraw/zinc/96/27/46/911962746.db2.gz LFSLKILNQIZTKE-OLZOCXBDSA-N 1 2 280.368 1.771 20 30 CDEDLO C[C@@H](CCN(C)C(=O)OC(C)(C)C)N1CC[NH2+]C[C@@H]1C#N ZINC001172957101 912121033 /nfs/dbraw/zinc/12/10/33/912121033.db2.gz NFXPKDCVOSSNKW-STQMWFEESA-N 1 2 296.415 1.429 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]nc1C)C2 ZINC001097613633 936315896 /nfs/dbraw/zinc/31/58/96/936315896.db2.gz AHSHXBYLMDUKFS-RTXFEEFZSA-N 1 2 294.786 1.806 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]nc1C)C2 ZINC001097613633 936315902 /nfs/dbraw/zinc/31/59/02/936315902.db2.gz AHSHXBYLMDUKFS-RTXFEEFZSA-N 1 2 294.786 1.806 20 30 CDEDLO Cc1cc(N[C@H](C)CNC(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001097732090 936359126 /nfs/dbraw/zinc/35/91/26/936359126.db2.gz JSVNRXZNISCRHL-ZYHUDNBSSA-N 1 2 289.383 1.985 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC001137799888 936412561 /nfs/dbraw/zinc/41/25/61/936412561.db2.gz NGUPYUXRERYMNO-UHFFFAOYSA-N 1 2 269.308 1.908 20 30 CDEDLO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1nnccc1C#N ZINC001181992613 917536905 /nfs/dbraw/zinc/53/69/05/917536905.db2.gz ILALQUXIDGWCGJ-NSHDSACASA-N 1 2 259.313 1.161 20 30 CDEDLO CC[N@H+]1CCCC[C@H]1C(=O)Nc1nnccc1C#N ZINC001181992613 917536913 /nfs/dbraw/zinc/53/69/13/917536913.db2.gz ILALQUXIDGWCGJ-NSHDSACASA-N 1 2 259.313 1.161 20 30 CDEDLO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1onc(C)c1C#N ZINC001181995253 917546191 /nfs/dbraw/zinc/54/61/91/917546191.db2.gz WJUHPJPKKWRETP-NSHDSACASA-N 1 2 262.313 1.668 20 30 CDEDLO CC[N@H+]1CCCC[C@H]1C(=O)Nc1onc(C)c1C#N ZINC001181995253 917546202 /nfs/dbraw/zinc/54/62/02/917546202.db2.gz WJUHPJPKKWRETP-NSHDSACASA-N 1 2 262.313 1.668 20 30 CDEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCCC)nn2)C1 ZINC001107129338 918160187 /nfs/dbraw/zinc/16/01/87/918160187.db2.gz SJJKJNHHCTVQBW-UHFFFAOYSA-N 1 2 277.372 1.127 20 30 CDEDLO Cc1ccc(C#N)c(N[C@H](C)CNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001098006545 936506575 /nfs/dbraw/zinc/50/65/75/936506575.db2.gz IYJKFUZBWNLFQH-LLVKDONJSA-N 1 2 298.350 1.144 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@H](C)C2)cc1OC ZINC001138343256 936522519 /nfs/dbraw/zinc/52/25/19/936522519.db2.gz HWHJDBYRGORPIG-CYBMUJFWSA-N 1 2 275.348 1.928 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCO[C@H](C)C2)cc1OC ZINC001138343256 936522521 /nfs/dbraw/zinc/52/25/21/936522521.db2.gz HWHJDBYRGORPIG-CYBMUJFWSA-N 1 2 275.348 1.928 20 30 CDEDLO C#CCOc1ccc(C[NH+]2CC(C(=O)OC)C2)cc1OC ZINC001138344109 936522690 /nfs/dbraw/zinc/52/26/90/936522690.db2.gz XMMYEDZNHZSVLM-UHFFFAOYSA-N 1 2 289.331 1.312 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)CC)C1 ZINC001107754889 918739793 /nfs/dbraw/zinc/73/97/93/918739793.db2.gz ZRCVCFDIFQAYGG-ZFWWWQNUSA-N 1 2 266.385 1.263 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)CC)C1 ZINC001107754889 918739809 /nfs/dbraw/zinc/73/98/09/918739809.db2.gz ZRCVCFDIFQAYGG-ZFWWWQNUSA-N 1 2 266.385 1.263 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)SC)C1 ZINC001107764154 918758516 /nfs/dbraw/zinc/75/85/16/918758516.db2.gz SDLJRFVENKMYSM-WCQYABFASA-N 1 2 272.414 1.131 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)SC)C1 ZINC001107764154 918758525 /nfs/dbraw/zinc/75/85/25/918758525.db2.gz SDLJRFVENKMYSM-WCQYABFASA-N 1 2 272.414 1.131 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)C2CC2)C1 ZINC001107848537 918874305 /nfs/dbraw/zinc/87/43/05/918874305.db2.gz QEGTXWSIYFZHSB-CZUORRHYSA-N 1 2 278.396 1.263 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)C2CC2)C1 ZINC001107848537 918874319 /nfs/dbraw/zinc/87/43/19/918874319.db2.gz QEGTXWSIYFZHSB-CZUORRHYSA-N 1 2 278.396 1.263 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)/C(C)=C\C)C1 ZINC001107855940 918892764 /nfs/dbraw/zinc/89/27/64/918892764.db2.gz ZZYRQHCYGIVRCR-OEWWAVFSSA-N 1 2 264.369 1.183 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)/C(C)=C\C)C1 ZINC001107855940 918892773 /nfs/dbraw/zinc/89/27/73/918892773.db2.gz ZZYRQHCYGIVRCR-OEWWAVFSSA-N 1 2 264.369 1.183 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2CO[C@H](C)C2)CC1 ZINC001000862531 936541543 /nfs/dbraw/zinc/54/15/43/936541543.db2.gz PGZGJOXQEVIBBI-TZMCWYRMSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2CO[C@H](C)C2)CC1 ZINC001000862531 936541544 /nfs/dbraw/zinc/54/15/44/936541544.db2.gz PGZGJOXQEVIBBI-TZMCWYRMSA-N 1 2 298.814 1.912 20 30 CDEDLO C#CCOc1ccc(C[NH+]2CC(N(C)C(C)=O)C2)cc1 ZINC001138558564 936546755 /nfs/dbraw/zinc/54/67/55/936546755.db2.gz AFTQIAGESNZYAT-UHFFFAOYSA-N 1 2 272.348 1.361 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2coc(CC)n2)C1 ZINC001107887230 918993236 /nfs/dbraw/zinc/99/32/36/918993236.db2.gz UBBSTSBPWJBRPL-OAHLLOKOSA-N 1 2 293.367 1.244 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2coc(CC)n2)C1 ZINC001107887230 918993244 /nfs/dbraw/zinc/99/32/44/918993244.db2.gz UBBSTSBPWJBRPL-OAHLLOKOSA-N 1 2 293.367 1.244 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H](C)CC)C1 ZINC001107899381 919020394 /nfs/dbraw/zinc/02/03/94/919020394.db2.gz RUZHDYBAVQLLSV-HIFRSBDPSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H](C)CC)C1 ZINC001107899381 919020401 /nfs/dbraw/zinc/02/04/01/919020401.db2.gz RUZHDYBAVQLLSV-HIFRSBDPSA-N 1 2 268.401 1.816 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnc(SCC)nc2)CC1 ZINC001138656299 936555926 /nfs/dbraw/zinc/55/59/26/936555926.db2.gz BQTHVBSSZXFIQO-UHFFFAOYSA-N 1 2 276.409 1.339 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001185071321 919409748 /nfs/dbraw/zinc/40/97/48/919409748.db2.gz SLPVMTCJKMKIQV-QWHCGFSZSA-N 1 2 292.383 1.671 20 30 CDEDLO Cc1n[nH]c(C)c1C[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001139101218 936597606 /nfs/dbraw/zinc/59/76/06/936597606.db2.gz MMRGQILUQBOQED-UHFFFAOYSA-N 1 2 297.366 1.010 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[NH2+]Cc1nonc1C ZINC001128081468 919750804 /nfs/dbraw/zinc/75/08/04/919750804.db2.gz SFCANMKEZSHPCU-UHFFFAOYSA-N 1 2 278.356 1.352 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC001078252394 920184816 /nfs/dbraw/zinc/18/48/16/920184816.db2.gz FSQPTKDJLHZBTE-BFYDXBDKSA-N 1 2 290.407 1.308 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC001078252394 920184827 /nfs/dbraw/zinc/18/48/27/920184827.db2.gz FSQPTKDJLHZBTE-BFYDXBDKSA-N 1 2 290.407 1.308 20 30 CDEDLO N#Cc1cccc2c(C[N@@H+]3CCn4nncc4C3)c[nH]c21 ZINC001139706067 936638520 /nfs/dbraw/zinc/63/85/20/936638520.db2.gz JVUWDYSQCPSMHS-UHFFFAOYSA-N 1 2 278.319 1.647 20 30 CDEDLO N#Cc1cccc2c(C[N@H+]3CCn4nncc4C3)c[nH]c21 ZINC001139706067 936638522 /nfs/dbraw/zinc/63/85/22/936638522.db2.gz JVUWDYSQCPSMHS-UHFFFAOYSA-N 1 2 278.319 1.647 20 30 CDEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001110391337 920402323 /nfs/dbraw/zinc/40/23/23/920402323.db2.gz IAEJDEULCHFMGQ-UPJWGTAASA-N 1 2 284.787 1.663 20 30 CDEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001110391337 920402329 /nfs/dbraw/zinc/40/23/29/920402329.db2.gz IAEJDEULCHFMGQ-UPJWGTAASA-N 1 2 284.787 1.663 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3coc(C)n3)C[C@H]21 ZINC001187240095 920423681 /nfs/dbraw/zinc/42/36/81/920423681.db2.gz MWTKXAAYYUVKDC-DZGCQCFKSA-N 1 2 289.379 1.982 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](Cc3coc(C)n3)C[C@H]21 ZINC001187240095 920423690 /nfs/dbraw/zinc/42/36/90/920423690.db2.gz MWTKXAAYYUVKDC-DZGCQCFKSA-N 1 2 289.379 1.982 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)n(CC)n2)CC1 ZINC001190115205 921863784 /nfs/dbraw/zinc/86/37/84/921863784.db2.gz XFSVNXRNOWBETC-UHFFFAOYSA-N 1 2 262.357 1.155 20 30 CDEDLO C=CCC1(S(=O)(=O)NC2C[NH+](C(C)(C)C)C2)CC1 ZINC001190844043 922245671 /nfs/dbraw/zinc/24/56/71/922245671.db2.gz XAAFNCKHZULQEA-UHFFFAOYSA-N 1 2 272.414 1.497 20 30 CDEDLO N#Cc1c(F)cc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)cc1F ZINC001140753149 936750789 /nfs/dbraw/zinc/75/07/89/936750789.db2.gz YUIROBKHHNFQAL-IINYFYTJSA-N 1 2 282.290 1.012 20 30 CDEDLO N#Cc1c(F)cc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)cc1F ZINC001140753149 936750790 /nfs/dbraw/zinc/75/07/90/936750790.db2.gz YUIROBKHHNFQAL-IINYFYTJSA-N 1 2 282.290 1.012 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)CC(=C)C)C1 ZINC001108150507 922787109 /nfs/dbraw/zinc/78/71/09/922787109.db2.gz DNUOJFHUQLNHHS-ZBFHGGJFSA-N 1 2 280.412 1.982 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)CC(=C)C)C1 ZINC001108150507 922787113 /nfs/dbraw/zinc/78/71/13/922787113.db2.gz DNUOJFHUQLNHHS-ZBFHGGJFSA-N 1 2 280.412 1.982 20 30 CDEDLO CC#CC[NH2+]Cc1cn(-c2cccc(CNC(C)=O)c2)nn1 ZINC001099599326 936791789 /nfs/dbraw/zinc/79/17/89/936791789.db2.gz VWSZQWZJHIIZMF-UHFFFAOYSA-N 1 2 297.362 1.016 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC2(C)CC2)[C@@H](O)C1 ZINC001099928869 936821047 /nfs/dbraw/zinc/82/10/47/936821047.db2.gz PVZIPXJSJBDRQN-NEPJUHHUSA-N 1 2 286.803 1.481 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC2(C)CC2)[C@@H](O)C1 ZINC001099928869 936821048 /nfs/dbraw/zinc/82/10/48/936821048.db2.gz PVZIPXJSJBDRQN-NEPJUHHUSA-N 1 2 286.803 1.481 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001193377047 923643827 /nfs/dbraw/zinc/64/38/27/923643827.db2.gz NKOIWCITOPRQNH-BCIKPAMSSA-N 1 2 272.776 1.257 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001193377047 923643838 /nfs/dbraw/zinc/64/38/38/923643838.db2.gz NKOIWCITOPRQNH-BCIKPAMSSA-N 1 2 272.776 1.257 20 30 CDEDLO N#Cc1cccc(C(=O)N2CC[NH+]3CCC2CC3)c1O ZINC001193646530 923837241 /nfs/dbraw/zinc/83/72/41/923837241.db2.gz LKSJQAULILVAMY-UHFFFAOYSA-N 1 2 271.320 1.184 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]21 ZINC001090310177 924091862 /nfs/dbraw/zinc/09/18/62/924091862.db2.gz RIBOYAFMHFFXKP-LSDHHAIUSA-N 1 2 298.390 1.626 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N[C@@H]3CN(CC#N)C[C@H]3C)ccn12 ZINC001079696725 924408741 /nfs/dbraw/zinc/40/87/41/924408741.db2.gz AMKXAOGQYAHPMC-BXUZGUMPSA-N 1 2 297.362 1.216 20 30 CDEDLO Cc1cc(C)c(C(=O)N[C@@H]2CN(CC#N)C[C@H]2C)c(C)[nH+]1 ZINC001080167591 924496145 /nfs/dbraw/zinc/49/61/45/924496145.db2.gz SWGDXRPTOLVEIG-BXUZGUMPSA-N 1 2 286.379 1.581 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccn2C(C)C)[C@H](OC)C1 ZINC001082372589 924908615 /nfs/dbraw/zinc/90/86/15/924908615.db2.gz PMDFBHDTOFECIA-UKRRQHHQSA-N 1 2 289.379 1.131 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccn2C(C)C)[C@H](OC)C1 ZINC001082372589 924908620 /nfs/dbraw/zinc/90/86/20/924908620.db2.gz PMDFBHDTOFECIA-UKRRQHHQSA-N 1 2 289.379 1.131 20 30 CDEDLO Cc1ccc(C(F)(F)N2CC[NH2+]C[C@H]2C#N)nc1Cl ZINC001164652871 924958956 /nfs/dbraw/zinc/95/89/56/924958956.db2.gz UPCBJINNIGAJHT-SECBINFHSA-N 1 2 286.713 1.890 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3ccccc3c2)[C@@H](O)C1 ZINC001083988170 925121443 /nfs/dbraw/zinc/12/14/43/925121443.db2.gz SRRPZGPNFVQVPP-SJORKVTESA-N 1 2 294.354 1.248 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3ccccc3c2)[C@@H](O)C1 ZINC001083988170 925121451 /nfs/dbraw/zinc/12/14/51/925121451.db2.gz SRRPZGPNFVQVPP-SJORKVTESA-N 1 2 294.354 1.248 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCO3)[C@@H]2C1 ZINC001084281550 925214650 /nfs/dbraw/zinc/21/46/50/925214650.db2.gz UIHKKIBTXLBJJS-MCIONIFRSA-N 1 2 298.814 1.841 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCO3)[C@@H]2C1 ZINC001084281550 925214655 /nfs/dbraw/zinc/21/46/55/925214655.db2.gz UIHKKIBTXLBJJS-MCIONIFRSA-N 1 2 298.814 1.841 20 30 CDEDLO C=CCn1nnnc1N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC001119642490 925452964 /nfs/dbraw/zinc/45/29/64/925452964.db2.gz AEMUGPIJRSIETJ-UHFFFAOYSA-N 1 2 288.355 1.516 20 30 CDEDLO C[C@@H](C(=O)N[C@H](C#N)C1CCCC1)[NH+]1CCSCC1 ZINC001119667268 925466084 /nfs/dbraw/zinc/46/60/84/925466084.db2.gz KUJJSRCMUPCZSW-WCQYABFASA-N 1 2 281.425 1.622 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C#CC1CC1)c1nccn12 ZINC001101629709 936995115 /nfs/dbraw/zinc/99/51/15/936995115.db2.gz ZDYDHOXJWLRZRK-AWEZNQCLSA-N 1 2 296.374 1.054 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ocnc1C ZINC001231171179 925669473 /nfs/dbraw/zinc/66/94/73/925669473.db2.gz YQRDXPUXJXHZNY-CYBMUJFWSA-N 1 2 277.368 1.982 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ocnc1C ZINC001231171179 925669476 /nfs/dbraw/zinc/66/94/76/925669476.db2.gz YQRDXPUXJXHZNY-CYBMUJFWSA-N 1 2 277.368 1.982 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1snnc1C ZINC001085477526 926036775 /nfs/dbraw/zinc/03/67/75/926036775.db2.gz BEQXIPIFKFGIJH-NSHDSACASA-N 1 2 280.397 1.569 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1snnc1C ZINC001085477526 926036780 /nfs/dbraw/zinc/03/67/80/926036780.db2.gz BEQXIPIFKFGIJH-NSHDSACASA-N 1 2 280.397 1.569 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH2+]C[C@@H](O)COCC)[C@@H](C)CC ZINC001252043978 926164489 /nfs/dbraw/zinc/16/44/89/926164489.db2.gz GJTDJZDYOHSVHO-XQQFMLRXSA-N 1 2 273.373 1.117 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OC)ns1 ZINC001085601807 926199666 /nfs/dbraw/zinc/19/96/66/926199666.db2.gz HENHJMGLYKUCJM-SNVBAGLBSA-N 1 2 281.381 1.484 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OC)ns1 ZINC001085601807 926199671 /nfs/dbraw/zinc/19/96/71/926199671.db2.gz HENHJMGLYKUCJM-SNVBAGLBSA-N 1 2 281.381 1.484 20 30 CDEDLO N#Cc1cnn(C2CCOCC2)c1Nc1ccc(N)[nH+]c1 ZINC001201279668 926236977 /nfs/dbraw/zinc/23/69/77/926236977.db2.gz YKFLOMJKFSAXNA-UHFFFAOYSA-N 1 2 284.323 1.827 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nc(C)sc1C ZINC001085666189 926263328 /nfs/dbraw/zinc/26/33/28/926263328.db2.gz AHHXPNMLKDDJFL-ZDUSSCGKSA-N 1 2 291.420 1.930 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nc(C)sc1C ZINC001085666189 926263336 /nfs/dbraw/zinc/26/33/36/926263336.db2.gz AHHXPNMLKDDJFL-ZDUSSCGKSA-N 1 2 291.420 1.930 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccsn1 ZINC001085666601 926265478 /nfs/dbraw/zinc/26/54/78/926265478.db2.gz KRVAZMFQFQZBTK-NSHDSACASA-N 1 2 263.366 1.313 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccsn1 ZINC001085666601 926265489 /nfs/dbraw/zinc/26/54/89/926265489.db2.gz KRVAZMFQFQZBTK-NSHDSACASA-N 1 2 263.366 1.313 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1oc(CC)nc1C ZINC001085911278 926500513 /nfs/dbraw/zinc/50/05/13/926500513.db2.gz ZPAYHJVRZLYDFC-ZDUSSCGKSA-N 1 2 289.379 1.715 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1oc(CC)nc1C ZINC001085911278 926500520 /nfs/dbraw/zinc/50/05/20/926500520.db2.gz ZPAYHJVRZLYDFC-ZDUSSCGKSA-N 1 2 289.379 1.715 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)cccc1F ZINC001085998673 926582061 /nfs/dbraw/zinc/58/20/61/926582061.db2.gz JPLIBPDWSLSMDN-ZDUSSCGKSA-N 1 2 274.339 1.914 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)cccc1F ZINC001085998673 926582070 /nfs/dbraw/zinc/58/20/70/926582070.db2.gz JPLIBPDWSLSMDN-ZDUSSCGKSA-N 1 2 274.339 1.914 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(N[C@H]3C=CS(=O)(=O)C3)c2c1 ZINC001156061668 927281061 /nfs/dbraw/zinc/28/10/61/927281061.db2.gz BYBPXMWLFLSLFI-LBPRGKRZSA-N 1 2 285.328 1.829 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1C[N@H+](CC(=C)Cl)CCCO1 ZINC001149329848 937169850 /nfs/dbraw/zinc/16/98/50/937169850.db2.gz COOUEGHVBANCPX-CYBMUJFWSA-N 1 2 286.803 1.912 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1C[N@@H+](CC(=C)Cl)CCCO1 ZINC001149329848 937169851 /nfs/dbraw/zinc/16/98/51/937169851.db2.gz COOUEGHVBANCPX-CYBMUJFWSA-N 1 2 286.803 1.912 20 30 CDEDLO C=CCOC[C@H](O)CNc1ccc(N(C)C)[nH+]c1 ZINC001252452001 928361184 /nfs/dbraw/zinc/36/11/84/928361184.db2.gz HETRIARGSOSPAV-GFCCVEGCSA-N 1 2 251.330 1.123 20 30 CDEDLO C=C[C@@H](CO)Nc1cc[nH+]c2[nH]cc(CC(=O)OC)c21 ZINC001169786661 928437917 /nfs/dbraw/zinc/43/79/17/928437917.db2.gz KBAFYOCEYPUUFS-JTQLQIEISA-N 1 2 275.308 1.237 20 30 CDEDLO Cc1nc(N2CCC[C@@H](NC(=O)C#CC3CC3)CC2)cc[nH+]1 ZINC001111990800 937260907 /nfs/dbraw/zinc/26/09/07/937260907.db2.gz MFRVMZKSOBOSSM-OAHLLOKOSA-N 1 2 298.390 1.674 20 30 CDEDLO COC(=O)[C@H](CS)Nc1cc(-n2ccnc2)cc[nH+]1 ZINC001156772901 928969213 /nfs/dbraw/zinc/96/92/13/928969213.db2.gz SDALTYZDJFGQFS-JTQLQIEISA-N 1 2 278.337 1.151 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2c(C)noc2C)CC1 ZINC001112605683 929244863 /nfs/dbraw/zinc/24/48/63/929244863.db2.gz MGSTUBUNWLORHQ-UHFFFAOYSA-N 1 2 293.367 1.252 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccnc(F)c2)CC1 ZINC001112667589 929305854 /nfs/dbraw/zinc/30/58/54/929305854.db2.gz AIJOBIMVPRFTFK-UHFFFAOYSA-N 1 2 293.342 1.181 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](C)n2cccc2)CC1 ZINC001112768030 929402226 /nfs/dbraw/zinc/40/22/26/929402226.db2.gz OBCZQNGNCPQFKK-OAHLLOKOSA-N 1 2 291.395 1.396 20 30 CDEDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1nc(C)c(C)cc1C#N ZINC001159293698 929946595 /nfs/dbraw/zinc/94/65/95/929946595.db2.gz NMPOMEXTFDWFJS-UHFFFAOYSA-N 1 2 271.324 1.271 20 30 CDEDLO C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)Nc1ccc(C#N)cn1 ZINC001115766281 937419434 /nfs/dbraw/zinc/41/94/34/937419434.db2.gz CVBSSGPKOQIMPX-LBPRGKRZSA-N 1 2 298.350 1.109 20 30 CDEDLO CCCCCCCCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001116049754 937428853 /nfs/dbraw/zinc/42/88/53/937428853.db2.gz KHTBEKHRFDODOZ-CQSZACIVSA-N 1 2 297.443 1.803 20 30 CDEDLO CCCCCCCCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001116049754 937428854 /nfs/dbraw/zinc/42/88/54/937428854.db2.gz KHTBEKHRFDODOZ-CQSZACIVSA-N 1 2 297.443 1.803 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc3ccoc3cn2)CC1 ZINC001153310304 937437997 /nfs/dbraw/zinc/43/79/97/937437997.db2.gz USFLQNGEZVPGHY-UHFFFAOYSA-N 1 2 271.320 1.772 20 30 CDEDLO C=C[C@H]1C[C@@]1(Nc1ccn2cc(N)[nH+]c2c1)C(=O)OCC ZINC001170919803 930754805 /nfs/dbraw/zinc/75/48/05/930754805.db2.gz WSRGPRSBEAMWKS-BONVTDFDSA-N 1 2 286.335 1.836 20 30 CDEDLO N#CC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001136466390 931066681 /nfs/dbraw/zinc/06/66/81/931066681.db2.gz QFNWOWDACMHIIU-LBPRGKRZSA-N 1 2 258.325 1.208 20 30 CDEDLO N#Cc1cccc(CN2C(=O)COCC23C[NH+](C2CC2)C3)c1 ZINC001274009822 931101601 /nfs/dbraw/zinc/10/16/01/931101601.db2.gz KDSIRJPXGIEORI-UHFFFAOYSA-N 1 2 297.358 1.134 20 30 CDEDLO CC(C)=CCN1CC2(C[NH+](CCCCC#N)C2)OCC1=O ZINC001274040485 931136806 /nfs/dbraw/zinc/13/68/06/931136806.db2.gz PRCLLZZYYUNBNB-UHFFFAOYSA-N 1 2 291.395 1.560 20 30 CDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC(=O)OC(C)C ZINC001274062886 931150323 /nfs/dbraw/zinc/15/03/23/931150323.db2.gz ACDBKSXUOGLYJP-ZIAGYGMSSA-N 1 2 294.395 1.579 20 30 CDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC(=O)OC(C)C ZINC001274062886 931150327 /nfs/dbraw/zinc/15/03/27/931150327.db2.gz ACDBKSXUOGLYJP-ZIAGYGMSSA-N 1 2 294.395 1.579 20 30 CDEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1cnc[nH]1)CC2 ZINC001136867397 931435045 /nfs/dbraw/zinc/43/50/45/931435045.db2.gz OAVJSZMQELVNHD-UHFFFAOYSA-N 1 2 274.368 1.553 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH]cc2C)[C@@H](O)C1 ZINC001090803261 931484935 /nfs/dbraw/zinc/48/49/35/931484935.db2.gz ACWXVKJEMSDXNS-STQMWFEESA-N 1 2 297.786 1.241 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]cc2C)[C@@H](O)C1 ZINC001090803261 931484936 /nfs/dbraw/zinc/48/49/36/931484936.db2.gz ACWXVKJEMSDXNS-STQMWFEESA-N 1 2 297.786 1.241 20 30 CDEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC(NC(N)=O)CC1 ZINC001143716577 931522988 /nfs/dbraw/zinc/52/29/88/931522988.db2.gz RSHCABIAYBXVEF-UHFFFAOYSA-N 1 2 292.770 1.844 20 30 CDEDLO C=CCC[C@@H](O)C[NH+]1CC2(C1)CN([C@@H](C)CC)C(=O)CO2 ZINC001274621832 931523038 /nfs/dbraw/zinc/52/30/38/931523038.db2.gz XYVRZFQCPPQTIT-UONOGXRCSA-N 1 2 296.411 1.025 20 30 CDEDLO CC#CC[N@@H+](CC)[C@H](C)CNC(=O)c1[nH]nc2c1CCC2 ZINC001154140341 937508555 /nfs/dbraw/zinc/50/85/55/937508555.db2.gz LGTWFVLVADRNKG-GFCCVEGCSA-N 1 2 288.395 1.362 20 30 CDEDLO CC#CC[N@H+](CC)[C@H](C)CNC(=O)c1[nH]nc2c1CCC2 ZINC001154140341 937508558 /nfs/dbraw/zinc/50/85/58/937508558.db2.gz LGTWFVLVADRNKG-GFCCVEGCSA-N 1 2 288.395 1.362 20 30 CDEDLO C#CCN1CC[C@]2(CCCN2c2[nH+]cccc2C)C1=O ZINC001274692034 931548326 /nfs/dbraw/zinc/54/83/26/931548326.db2.gz ZCGWUYMZGDRGQF-MRXNPFEDSA-N 1 2 269.348 1.595 20 30 CDEDLO CN1CC[N@H+](Cc2ccc(C#N)cn2)Cc2cccnc21 ZINC001144158338 931674862 /nfs/dbraw/zinc/67/48/62/931674862.db2.gz BVODTSRRIWEGHM-UHFFFAOYSA-N 1 2 279.347 1.800 20 30 CDEDLO CN1CC[N@@H+](Cc2ccc(C#N)cn2)Cc2cccnc21 ZINC001144158338 931674865 /nfs/dbraw/zinc/67/48/65/931674865.db2.gz BVODTSRRIWEGHM-UHFFFAOYSA-N 1 2 279.347 1.800 20 30 CDEDLO C[C@H](Cc1cccc(C#N)c1)N1CC[NH2+]C[C@@H]1C#N ZINC001171208377 931962952 /nfs/dbraw/zinc/96/29/52/931962952.db2.gz BFVDOVPGYVXCSR-DOMZBBRYSA-N 1 2 254.337 1.287 20 30 CDEDLO CCOc1ccc(C#N)cc1NC(=O)Cc1[nH]cc[nH+]1 ZINC001412451631 932437753 /nfs/dbraw/zinc/43/77/53/932437753.db2.gz XYRKASBIXOZFAN-UHFFFAOYSA-N 1 2 270.292 1.861 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n(C)n1 ZINC001017390776 935052696 /nfs/dbraw/zinc/05/26/96/935052696.db2.gz PLBKHOPNBNFGIB-BETUJISGSA-N 1 2 274.368 1.203 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n(C)n1 ZINC001017390776 935052703 /nfs/dbraw/zinc/05/27/03/935052703.db2.gz PLBKHOPNBNFGIB-BETUJISGSA-N 1 2 274.368 1.203 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3oc(C)nc3c2)C1 ZINC001043040423 935832722 /nfs/dbraw/zinc/83/27/22/935832722.db2.gz JJXIIZWTRGKRGL-UHFFFAOYSA-N 1 2 297.358 1.916 20 30 CDEDLO CCOC(=O)[C@@H](C)[N@H+](CCO[C@H](C)C#N)C1CC1 ZINC000801950088 936018018 /nfs/dbraw/zinc/01/80/18/936018018.db2.gz VASIKXKXAZOVHA-GHMZBOCLSA-N 1 2 254.330 1.331 20 30 CDEDLO CCOC(=O)[C@@H](C)[N@@H+](CCO[C@H](C)C#N)C1CC1 ZINC000801950088 936018021 /nfs/dbraw/zinc/01/80/21/936018021.db2.gz VASIKXKXAZOVHA-GHMZBOCLSA-N 1 2 254.330 1.331 20 30 CDEDLO COc1cc2c(cc1F)ncnc2N1CC[NH2+]C[C@@H]1C#N ZINC001156327597 938352538 /nfs/dbraw/zinc/35/25/38/938352538.db2.gz HEWVKRWUUFDTAJ-VIFPVBQESA-N 1 2 287.298 1.079 20 30 CDEDLO COc1cnc(N2CC[NH2+]C[C@@H]2C#N)c(Cl)c1 ZINC001156328004 938353130 /nfs/dbraw/zinc/35/31/30/938353130.db2.gz XOEMPNKFDAYBHM-QMMMGPOBSA-N 1 2 252.705 1.045 20 30 CDEDLO Cc1cc(NCCc2cn3ccccc3[nH+]2)nc(C#N)n1 ZINC001158144862 938587460 /nfs/dbraw/zinc/58/74/60/938587460.db2.gz IPWZGXLNUZOUOH-UHFFFAOYSA-N 1 2 278.319 1.381 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Nc2nccc3ccc(C#N)cc32)C[NH2+]1 ZINC001158254089 938599886 /nfs/dbraw/zinc/59/98/86/938599886.db2.gz MRMXHLPSDDJUKM-OCCSQVGLSA-N 1 2 296.330 1.422 20 30 CDEDLO CN(C)c1cc(N2CC(Oc3ccccc3C#N)C2)nc[nH+]1 ZINC001158769248 938662412 /nfs/dbraw/zinc/66/24/12/938662412.db2.gz NQNJBDZMXWCHBI-UHFFFAOYSA-N 1 2 295.346 1.682 20 30 CDEDLO CN(C)c1cc(N2CC(Oc3ccccc3C#N)C2)[nH+]cn1 ZINC001158769248 938662414 /nfs/dbraw/zinc/66/24/14/938662414.db2.gz NQNJBDZMXWCHBI-UHFFFAOYSA-N 1 2 295.346 1.682 20 30 CDEDLO COc1cc(C)c[nH+]c1N[C@@H]1C(=O)N(O)C[C@@H]1C ZINC001160176423 938773508 /nfs/dbraw/zinc/77/35/08/938773508.db2.gz QRRSGLDNWFMUNG-WPRPVWTQSA-N 1 2 251.286 1.047 20 30 CDEDLO Cc1c[nH+]c(NCCC(=O)NC(C)(C)C)c(/C=N/O)c1 ZINC001160411056 938785873 /nfs/dbraw/zinc/78/58/73/938785873.db2.gz GFEVXJBPGONCIV-RQZCQDPDSA-N 1 2 278.356 1.915 20 30 CDEDLO N#Cc1c(Cl)nc(Cl)nc1NCCCn1cc[nH+]c1 ZINC001161681188 938920052 /nfs/dbraw/zinc/92/00/52/938920052.db2.gz IUQONKAOOKIDDV-UHFFFAOYSA-N 1 2 297.149 1.776 20 30 CDEDLO Cc1nc(N2CC[NH2+]CC(F)(F)C2)ccc1C#N ZINC001164498318 939479381 /nfs/dbraw/zinc/47/93/81/939479381.db2.gz RPILDGRWRDRKRJ-UHFFFAOYSA-N 1 2 252.268 1.307 20 30 CDEDLO Cc1nc(Cl)nc(N2CC[NH2+]C[C@H]2C#N)c1C ZINC001164624043 939499759 /nfs/dbraw/zinc/49/97/59/939499759.db2.gz BGKRBBSPYDKHQP-SECBINFHSA-N 1 2 251.721 1.049 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1cnc(Cl)cc1N ZINC001164652386 939502450 /nfs/dbraw/zinc/50/24/50/939502450.db2.gz QURFRDZYJBRNCO-SSDOTTSWSA-N 1 2 287.701 1.164 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(N3CCN(C(N)=O)CC3)c2c1 ZINC001166573460 939615034 /nfs/dbraw/zinc/61/50/34/939615034.db2.gz LJEKCVMVGJKMRZ-UHFFFAOYSA-N 1 2 281.319 1.307 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CCCF)C1 ZINC001276413188 939693940 /nfs/dbraw/zinc/69/39/40/939693940.db2.gz BPFFWKVGMJEIOJ-SNVBAGLBSA-N 1 2 262.756 1.925 20 30 CDEDLO C#Cc1cc(Nc2cnn(CC(C)(C)O)c2)cc[nH+]1 ZINC001204126733 939735913 /nfs/dbraw/zinc/73/59/13/939735913.db2.gz CBDULMHHZCGKIM-UHFFFAOYSA-N 1 2 256.309 1.196 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2nocc2C)C[C@H]1C ZINC001206536952 940056590 /nfs/dbraw/zinc/05/65/90/940056590.db2.gz GIMYSNFWXSSEIH-DGCLKSJQSA-N 1 2 277.368 1.886 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2nocc2C)C[C@H]1C ZINC001206536952 940056593 /nfs/dbraw/zinc/05/65/93/940056593.db2.gz GIMYSNFWXSSEIH-DGCLKSJQSA-N 1 2 277.368 1.886 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001207029948 940132622 /nfs/dbraw/zinc/13/26/22/940132622.db2.gz PNMDSUGUNWVJIB-OPRDCNLKSA-N 1 2 280.265 1.347 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001207029948 940132623 /nfs/dbraw/zinc/13/26/23/940132623.db2.gz PNMDSUGUNWVJIB-OPRDCNLKSA-N 1 2 280.265 1.347 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1C ZINC001208452695 940331970 /nfs/dbraw/zinc/33/19/70/940331970.db2.gz YCBOXBCCLLSJCK-TZMCWYRMSA-N 1 2 277.368 1.967 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1C ZINC001208452695 940331975 /nfs/dbraw/zinc/33/19/75/940331975.db2.gz YCBOXBCCLLSJCK-TZMCWYRMSA-N 1 2 277.368 1.967 20 30 CDEDLO C=CCN(CC[NH+]1CCN(C(=O)CC)CC1)C(=O)OCC ZINC001209017591 940424423 /nfs/dbraw/zinc/42/44/23/940424423.db2.gz UYBTUEYGBHVBIE-UHFFFAOYSA-N 1 2 297.399 1.185 20 30 CDEDLO C=CCN(CC[N@@H+]1CCN(C(C)=O)C[C@@H]1C)C(=O)OCC ZINC001209020279 940424904 /nfs/dbraw/zinc/42/49/04/940424904.db2.gz FTJXPAAARKKGIP-ZDUSSCGKSA-N 1 2 297.399 1.184 20 30 CDEDLO C=CCN(CC[N@H+]1CCN(C(C)=O)C[C@@H]1C)C(=O)OCC ZINC001209020279 940424906 /nfs/dbraw/zinc/42/49/06/940424906.db2.gz FTJXPAAARKKGIP-ZDUSSCGKSA-N 1 2 297.399 1.184 20 30 CDEDLO C#CCCC[NH+]1CC2(C1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001209262397 940454454 /nfs/dbraw/zinc/45/44/54/940454454.db2.gz UJNUXZXXUKIMSV-UHFFFAOYSA-N 1 2 294.395 1.722 20 30 CDEDLO N#Cc1c2ccccc2sc1NC(=O)[C@@H]1COC[NH2+]1 ZINC001218649099 941251707 /nfs/dbraw/zinc/25/17/07/941251707.db2.gz QXDTYSACNMBASX-JTQLQIEISA-N 1 2 273.317 1.657 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)CCCCC)[C@@H](O)C1 ZINC001221035996 941494492 /nfs/dbraw/zinc/49/44/92/941494492.db2.gz ZXCQTKSTCYIUQU-KFWWJZLASA-N 1 2 280.412 1.387 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)CCCCC)[C@@H](O)C1 ZINC001221035996 941494495 /nfs/dbraw/zinc/49/44/95/941494495.db2.gz ZXCQTKSTCYIUQU-KFWWJZLASA-N 1 2 280.412 1.387 20 30 CDEDLO C=CC[C@@H](NC(=O)C[C@H]([NH3+])C(=O)OC)c1ccccc1 ZINC001221360440 941521740 /nfs/dbraw/zinc/52/17/40/941521740.db2.gz IUXQICVDWATZIJ-QWHCGFSZSA-N 1 2 276.336 1.310 20 30 CDEDLO COc1cc(C#N)ccc1O[C@@H](C)C[NH+]1CCOCC1 ZINC001225193788 941829347 /nfs/dbraw/zinc/82/93/47/941829347.db2.gz QXGMDRGOHACUQQ-LBPRGKRZSA-N 1 2 276.336 1.666 20 30 CDEDLO N#CC1(NC(=O)[C@@]23C[C@@H]2CC[N@@H+]3Cc2ccccn2)CCC1 ZINC001277070665 941911153 /nfs/dbraw/zinc/91/11/53/941911153.db2.gz VGWFASVQDAIHHD-SUMWQHHRSA-N 1 2 296.374 1.608 20 30 CDEDLO N#CC1(NC(=O)[C@@]23C[C@@H]2CC[N@H+]3Cc2ccccn2)CCC1 ZINC001277070665 941911171 /nfs/dbraw/zinc/91/11/71/941911171.db2.gz VGWFASVQDAIHHD-SUMWQHHRSA-N 1 2 296.374 1.608 20 30 CDEDLO C=CCCC(=O)NC1CC[NH+](Cc2nonc2C)CC1 ZINC001226526888 942020199 /nfs/dbraw/zinc/02/01/99/942020199.db2.gz AEMOPKDFKFAGDE-UHFFFAOYSA-N 1 2 278.356 1.425 20 30 CDEDLO Cc1ccc(C#N)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001226754831 942064186 /nfs/dbraw/zinc/06/41/86/942064186.db2.gz VXWDJSQQUSLFGL-NQPNPBMCSA-N 1 2 270.332 1.858 20 30 CDEDLO Cc1ccc(C#N)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001226754831 942064190 /nfs/dbraw/zinc/06/41/90/942064190.db2.gz VXWDJSQQUSLFGL-NQPNPBMCSA-N 1 2 270.332 1.858 20 30 CDEDLO CC(C)[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC001227309171 942165805 /nfs/dbraw/zinc/16/58/05/942165805.db2.gz IFDPFDIZOXOGDH-UHFFFAOYSA-N 1 2 261.281 1.938 20 30 CDEDLO C=C(C)CCC(=O)NC1CC[NH+](Cc2nnc(C)o2)CC1 ZINC001227588030 942192028 /nfs/dbraw/zinc/19/20/28/942192028.db2.gz DHWBFANOFMURDS-UHFFFAOYSA-N 1 2 292.383 1.815 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(O)c(C#N)c3C#N)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227617343 942196878 /nfs/dbraw/zinc/19/68/78/942196878.db2.gz CRRIDWBKRUJPNM-WPRNNWHFSA-N 1 2 297.314 1.127 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(O)c(C#N)c3C#N)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227617343 942196880 /nfs/dbraw/zinc/19/68/80/942196880.db2.gz CRRIDWBKRUJPNM-WPRNNWHFSA-N 1 2 297.314 1.127 20 30 CDEDLO C#C[C@H](Oc1ccc2[nH]c(C)[nH+]c2c1)C(=O)OCC ZINC001228329173 942300504 /nfs/dbraw/zinc/30/05/04/942300504.db2.gz LUCRAPCQVNBTAZ-ZDUSSCGKSA-N 1 2 258.277 1.815 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(CCF)CC1 ZINC001316599954 942409631 /nfs/dbraw/zinc/40/96/31/942409631.db2.gz GTUAWQPYGUTFCW-GFCCVEGCSA-N 1 2 252.333 1.292 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(CCF)CC1 ZINC001316599954 942409636 /nfs/dbraw/zinc/40/96/36/942409636.db2.gz GTUAWQPYGUTFCW-GFCCVEGCSA-N 1 2 252.333 1.292 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc4ccccc4nn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230244663 942594893 /nfs/dbraw/zinc/59/48/93/942594893.db2.gz KYFHVBKNTKZBEK-UCHAVSLVSA-N 1 2 283.331 1.621 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc4ccccc4nn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230244663 942594894 /nfs/dbraw/zinc/59/48/94/942594894.db2.gz KYFHVBKNTKZBEK-UCHAVSLVSA-N 1 2 283.331 1.621 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1CC1 ZINC001230595217 942653210 /nfs/dbraw/zinc/65/32/10/942653210.db2.gz NRSKCBSKOQVJQK-TZMCWYRMSA-N 1 2 293.411 1.010 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC1CC1 ZINC001230595217 942653217 /nfs/dbraw/zinc/65/32/17/942653217.db2.gz NRSKCBSKOQVJQK-TZMCWYRMSA-N 1 2 293.411 1.010 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)OCCCC ZINC001231093619 942782334 /nfs/dbraw/zinc/78/23/34/942782334.db2.gz BLJCOZXYVOLEQA-UONOGXRCSA-N 1 2 266.385 1.358 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)OCCCC ZINC001231093619 942782340 /nfs/dbraw/zinc/78/23/40/942782340.db2.gz BLJCOZXYVOLEQA-UONOGXRCSA-N 1 2 266.385 1.358 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@@H+]1C/C=C/Cl ZINC001231245913 942832142 /nfs/dbraw/zinc/83/21/42/942832142.db2.gz BXWWEIKRBQEEIK-FVOPLDGLSA-N 1 2 272.776 1.474 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@H+]1C/C=C/Cl ZINC001231245913 942832152 /nfs/dbraw/zinc/83/21/52/942832152.db2.gz BXWWEIKRBQEEIK-FVOPLDGLSA-N 1 2 272.776 1.474 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(Cl)cnc2F)CC1 ZINC001231995151 943087601 /nfs/dbraw/zinc/08/76/01/943087601.db2.gz MLZJKQCTUDSRBB-UHFFFAOYSA-N 1 2 267.735 1.625 20 30 CDEDLO N#Cc1c(N)sc(C[NH+]2CC3(C[C@H]3C(N)=O)C2)c1Cl ZINC001277639646 943196215 /nfs/dbraw/zinc/19/62/15/943196215.db2.gz CESAIFSQTWVVLF-ZETCQYMHSA-N 1 2 296.783 1.163 20 30 CDEDLO C#C[C@H]1CCC[N@@H+](Cc2c(OC)ncnc2OC)C1 ZINC001232517374 943314785 /nfs/dbraw/zinc/31/47/85/943314785.db2.gz KBLOSFBTTZKYLM-NSHDSACASA-N 1 2 261.325 1.339 20 30 CDEDLO C#C[C@H]1CCC[N@H+](Cc2c(OC)ncnc2OC)C1 ZINC001232517374 943314789 /nfs/dbraw/zinc/31/47/89/943314789.db2.gz KBLOSFBTTZKYLM-NSHDSACASA-N 1 2 261.325 1.339 20 30 CDEDLO C[C@]1(CO)CC[N@H+](Cc2ccc(Cl)cc2C#N)C[C@@H]1O ZINC001232605044 943337423 /nfs/dbraw/zinc/33/74/23/943337423.db2.gz RINUWVCMBXQPQR-LSDHHAIUSA-N 1 2 294.782 1.777 20 30 CDEDLO C[C@]1(CO)CC[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@@H]1O ZINC001232605044 943337430 /nfs/dbraw/zinc/33/74/30/943337430.db2.gz RINUWVCMBXQPQR-LSDHHAIUSA-N 1 2 294.782 1.777 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCC[C@](O)(CF)C2)c1 ZINC001232673671 943354398 /nfs/dbraw/zinc/35/43/98/943354398.db2.gz KTQKASFENIUZGU-HNNXBMFYSA-N 1 2 278.327 1.950 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCCC[C@](O)(CF)C2)c1 ZINC001232673671 943354401 /nfs/dbraw/zinc/35/44/01/943354401.db2.gz KTQKASFENIUZGU-HNNXBMFYSA-N 1 2 278.327 1.950 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCOC3(CCOCC3)C2)c1 ZINC001232677211 943360404 /nfs/dbraw/zinc/36/04/04/943360404.db2.gz COVJIYOVBBXIHW-UHFFFAOYSA-N 1 2 288.347 1.645 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCOC3(CCOCC3)C2)c1 ZINC001232677211 943360410 /nfs/dbraw/zinc/36/04/10/943360410.db2.gz COVJIYOVBBXIHW-UHFFFAOYSA-N 1 2 288.347 1.645 20 30 CDEDLO CN1C(=O)CCC12CC[NH+](Cc1cc(C#N)ccc1O)CC2 ZINC001232680064 943362043 /nfs/dbraw/zinc/36/20/43/943362043.db2.gz ARVWVYUFZLXGFV-UHFFFAOYSA-N 1 2 299.374 1.851 20 30 CDEDLO CC(=O)N1CCC2(C[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001232842848 943417314 /nfs/dbraw/zinc/41/73/14/943417314.db2.gz FTWZUEYSWVDTLY-UHFFFAOYSA-N 1 2 275.377 1.674 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3ncccn3)CC2)c(O)c1 ZINC001233383294 943570532 /nfs/dbraw/zinc/57/05/32/943570532.db2.gz CVEZMGIFYKFMQS-UHFFFAOYSA-N 1 2 295.346 1.376 20 30 CDEDLO CN(C[C@@H]1CC[N@@H+]1Cc1cncs1)C(=O)C#CC1CC1 ZINC001234185966 943769493 /nfs/dbraw/zinc/76/94/93/943769493.db2.gz AOUGNHZTODYBIL-ZDUSSCGKSA-N 1 2 289.404 1.589 20 30 CDEDLO CN(C[C@@H]1CC[N@H+]1Cc1cncs1)C(=O)C#CC1CC1 ZINC001234185966 943769494 /nfs/dbraw/zinc/76/94/94/943769494.db2.gz AOUGNHZTODYBIL-ZDUSSCGKSA-N 1 2 289.404 1.589 20 30 CDEDLO COc1cc(OC[C@@H]2C[N@H+](C)CCO2)ccc1C#N ZINC001234496339 943866521 /nfs/dbraw/zinc/86/65/21/943866521.db2.gz DTAYQTBNIHWOQX-ZDUSSCGKSA-N 1 2 262.309 1.276 20 30 CDEDLO COc1cc(OC[C@@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC001234496339 943866530 /nfs/dbraw/zinc/86/65/30/943866530.db2.gz DTAYQTBNIHWOQX-ZDUSSCGKSA-N 1 2 262.309 1.276 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2cnc3ccccc3c2C#N)C1 ZINC001234855924 943960463 /nfs/dbraw/zinc/96/04/63/943960463.db2.gz ZCBQGZMEMXGZLV-LBPRGKRZSA-N 1 2 283.331 1.816 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2cnc3ccccc3c2C#N)C1 ZINC001234855924 943960466 /nfs/dbraw/zinc/96/04/66/943960466.db2.gz ZCBQGZMEMXGZLV-LBPRGKRZSA-N 1 2 283.331 1.816 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1nnc(C(C)C)[nH]1 ZINC001235436745 944155793 /nfs/dbraw/zinc/15/57/93/944155793.db2.gz RQLRYDICXFNKBP-UHFFFAOYSA-N 1 2 293.415 1.832 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1nnc(C(C)C)[nH]1 ZINC001235436745 944155798 /nfs/dbraw/zinc/15/57/98/944155798.db2.gz RQLRYDICXFNKBP-UHFFFAOYSA-N 1 2 293.415 1.832 20 30 CDEDLO CN1CCOc2c1cn[nH+]c2-c1ccc(F)c(C#N)c1 ZINC001235890988 944309968 /nfs/dbraw/zinc/30/99/68/944309968.db2.gz YKVQMLKUHIJHPJ-UHFFFAOYSA-N 1 2 270.267 1.983 20 30 CDEDLO C[N@H+](C1COC1)C1CN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237751885 944944069 /nfs/dbraw/zinc/94/40/69/944944069.db2.gz QWPQEHWRVVENFC-UHFFFAOYSA-N 1 2 291.782 1.726 20 30 CDEDLO C[N@@H+](C1COC1)C1CN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237751885 944944078 /nfs/dbraw/zinc/94/40/78/944944078.db2.gz QWPQEHWRVVENFC-UHFFFAOYSA-N 1 2 291.782 1.726 20 30 CDEDLO CCCCCCCNC(=S)NC[C@@H]([NH3+])C(=O)OCC ZINC001239390378 945437803 /nfs/dbraw/zinc/43/78/03/945437803.db2.gz YPXIZRIDXYYLMO-LLVKDONJSA-N 1 2 289.445 1.311 20 30 CDEDLO COC(=O)[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CCOCC1 ZINC001254637419 947564694 /nfs/dbraw/zinc/56/46/94/947564694.db2.gz PCJCTSAOKZPNCV-CYZMBNFOSA-N 1 2 266.341 1.236 20 30 CDEDLO C=C[C@@H](COC)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001255012913 947690379 /nfs/dbraw/zinc/69/03/79/947690379.db2.gz BWVOHXNHUGVSIC-QWHCGFSZSA-N 1 2 290.367 1.161 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1cccnc1N(C)S(C)(=O)=O ZINC001255157242 947757996 /nfs/dbraw/zinc/75/79/96/947757996.db2.gz YYEUCUVLNVTXHD-LBPRGKRZSA-N 1 2 296.396 1.259 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C1 ZINC001255174116 947763453 /nfs/dbraw/zinc/76/34/53/947763453.db2.gz QUBAHZDFEUMCHH-JHJVBQTASA-N 1 2 297.399 1.639 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C1 ZINC001255174116 947763460 /nfs/dbraw/zinc/76/34/60/947763460.db2.gz QUBAHZDFEUMCHH-JHJVBQTASA-N 1 2 297.399 1.639 20 30 CDEDLO CCOC(=O)C1CCC([NH+]2CC(C)(C#N)C2)CC1 ZINC001255259151 947789004 /nfs/dbraw/zinc/78/90/04/947789004.db2.gz WNEHXECUPYKNRF-UHFFFAOYSA-N 1 2 250.342 1.954 20 30 CDEDLO N#Cc1ccc(NC(=S)N2CCn3c[nH+]cc3C2)cc1 ZINC001245906372 947842070 /nfs/dbraw/zinc/84/20/70/947842070.db2.gz KJMPOOSSZMOMDC-UHFFFAOYSA-N 1 2 283.360 1.967 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=S)Nc1ccc(C#N)cc1 ZINC001245968656 947869995 /nfs/dbraw/zinc/86/99/95/947869995.db2.gz CHZTYSDAMBVUAM-UHFFFAOYSA-N 1 2 285.376 1.821 20 30 CDEDLO N#CC1CCC([N@H+]2CCN(c3ccccn3)C(=O)C2)CC1 ZINC001256972190 948466942 /nfs/dbraw/zinc/46/69/42/948466942.db2.gz UGXULZPYNQXHBA-UHFFFAOYSA-N 1 2 284.363 1.813 20 30 CDEDLO N#CC1CCC([N@@H+]2CCN(c3ccccn3)C(=O)C2)CC1 ZINC001256972190 948466943 /nfs/dbraw/zinc/46/69/43/948466943.db2.gz UGXULZPYNQXHBA-UHFFFAOYSA-N 1 2 284.363 1.813 20 30 CDEDLO C#CC[C@H]([NH3+])c1nc(-c2ccccc2C(C)=O)no1 ZINC001247609368 948678157 /nfs/dbraw/zinc/67/81/57/948678157.db2.gz GRUZIBJJSGWDQH-LBPRGKRZSA-N 1 2 255.277 1.962 20 30 CDEDLO CC(=O)OC[C@H]([NH3+])c1nc(-c2ccc(C#N)c(C)c2)no1 ZINC001247695579 948706895 /nfs/dbraw/zinc/70/68/95/948706895.db2.gz YHQUVJBRCGYLNI-LBPRGKRZSA-N 1 2 286.291 1.480 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)c1ccc(C#N)cc1F ZINC001362896934 971709697 /nfs/dbraw/zinc/70/96/97/971709697.db2.gz YFFZVRLLVZVRIY-UHFFFAOYSA-N 1 2 272.283 1.403 20 30 CDEDLO C=C[C@@](C)(O)C[N@H+]1CCN(c2cccc(Cl)c2)C(=O)C1 ZINC001252558150 951453399 /nfs/dbraw/zinc/45/33/99/951453399.db2.gz MSTIVLRGFMLQMV-OAHLLOKOSA-N 1 2 294.782 1.926 20 30 CDEDLO C=C[C@@](C)(O)C[N@@H+]1CCN(c2cccc(Cl)c2)C(=O)C1 ZINC001252558150 951453396 /nfs/dbraw/zinc/45/33/96/951453396.db2.gz MSTIVLRGFMLQMV-OAHLLOKOSA-N 1 2 294.782 1.926 20 30 CDEDLO C=C[C@H](O)CN1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001253587887 951979315 /nfs/dbraw/zinc/97/93/15/951979315.db2.gz PWHXZZDJUHBSOC-RYUDHWBXSA-N 1 2 260.328 1.339 20 30 CDEDLO C=C[C@H](O)C[NH2+][C@H](C(=O)OCc1ccccc1)C(C)C ZINC001253601214 951989361 /nfs/dbraw/zinc/98/93/61/951989361.db2.gz MPHBBUDSNKJXHH-GJZGRUSLSA-N 1 2 277.364 1.891 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](C)OCC1CC1 ZINC001480845455 971911087 /nfs/dbraw/zinc/91/10/87/971911087.db2.gz AOEJHKLQFNQENL-NSHDSACASA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](C)OCC1CC1 ZINC001480845455 971911093 /nfs/dbraw/zinc/91/10/93/971911093.db2.gz AOEJHKLQFNQENL-NSHDSACASA-N 1 2 274.792 1.602 20 30 CDEDLO C=C[C@](C)(O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001329166801 955731116 /nfs/dbraw/zinc/73/11/16/955731116.db2.gz NSGIQDSAMZGIAR-DOMZBBRYSA-N 1 2 277.368 1.138 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCc2cn[nH]c2)C1 ZINC001365935009 956459043 /nfs/dbraw/zinc/45/90/43/956459043.db2.gz BFTQDDLJPLQAMB-CYBMUJFWSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCc2cn[nH]c2)C1 ZINC001365935009 956459048 /nfs/dbraw/zinc/45/90/48/956459048.db2.gz BFTQDDLJPLQAMB-CYBMUJFWSA-N 1 2 296.802 1.675 20 30 CDEDLO C=CCn1cnn(C[N@H+](C)C[C@H]2CCOC2)c1=S ZINC001331107582 956824835 /nfs/dbraw/zinc/82/48/35/956824835.db2.gz WIDIRSBZPZAFMS-LLVKDONJSA-N 1 2 268.386 1.526 20 30 CDEDLO C=CCn1cnn(C[N@@H+](C)C[C@H]2CCOC2)c1=S ZINC001331107582 956824848 /nfs/dbraw/zinc/82/48/48/956824848.db2.gz WIDIRSBZPZAFMS-LLVKDONJSA-N 1 2 268.386 1.526 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 ZINC001313445548 956864026 /nfs/dbraw/zinc/86/40/26/956864026.db2.gz YDOLJERZNGRGJS-UHFFFAOYSA-N 1 2 288.395 1.553 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCCC)C1 ZINC001317956836 957825592 /nfs/dbraw/zinc/82/55/92/957825592.db2.gz YXBWDQVHENJDIH-ZDUSSCGKSA-N 1 2 281.400 1.059 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCCC)C1 ZINC001317956836 957825602 /nfs/dbraw/zinc/82/56/02/957825602.db2.gz YXBWDQVHENJDIH-ZDUSSCGKSA-N 1 2 281.400 1.059 20 30 CDEDLO C[C@@H](C(=O)N1CCCC(C)(C)[C@@H]1C#N)n1cc[nH+]c1 ZINC001321161865 959625162 /nfs/dbraw/zinc/62/51/62/959625162.db2.gz RBURUYUAHYDAMW-RYUDHWBXSA-N 1 2 260.341 1.985 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC001548693681 972453887 /nfs/dbraw/zinc/45/38/87/972453887.db2.gz CYBLHHUJSKWLNX-LBPRGKRZSA-N 1 2 274.368 1.893 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)COC(C)C ZINC001322123134 960096925 /nfs/dbraw/zinc/09/69/25/960096925.db2.gz PVPFOSBETQCHFW-NSHDSACASA-N 1 2 262.781 1.600 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)COC(C)C ZINC001322123134 960096931 /nfs/dbraw/zinc/09/69/31/960096931.db2.gz PVPFOSBETQCHFW-NSHDSACASA-N 1 2 262.781 1.600 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1cccc(C(=O)OC)c1C#N ZINC001336067481 960186078 /nfs/dbraw/zinc/18/60/78/960186078.db2.gz QRMJPKSZVDBZFI-UHFFFAOYSA-N 1 2 286.331 1.426 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1cccc(C(=O)OC)c1C#N ZINC001336067481 960186081 /nfs/dbraw/zinc/18/60/81/960186081.db2.gz QRMJPKSZVDBZFI-UHFFFAOYSA-N 1 2 286.331 1.426 20 30 CDEDLO C=CCn1cnn(C[N@H+]2CC[C@](C)(C(=O)NC)C2)c1=S ZINC001322496820 960239885 /nfs/dbraw/zinc/23/98/85/960239885.db2.gz APEFQNFQZVTGMW-ZDUSSCGKSA-N 1 2 295.412 1.016 20 30 CDEDLO C=CCn1cnn(C[N@@H+]2CC[C@](C)(C(=O)NC)C2)c1=S ZINC001322496820 960239891 /nfs/dbraw/zinc/23/98/91/960239891.db2.gz APEFQNFQZVTGMW-ZDUSSCGKSA-N 1 2 295.412 1.016 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(C#N)cc2F)CC1 ZINC001337052232 960891883 /nfs/dbraw/zinc/89/18/83/960891883.db2.gz IVZUCCJUBOXWMH-UHFFFAOYSA-N 1 2 285.322 1.478 20 30 CDEDLO C=C(C)CN(C)c1nnc(C[N@@H+]2CCC[C@H](O)C2)n1CC ZINC001339543843 962415819 /nfs/dbraw/zinc/41/58/19/962415819.db2.gz IFMUTVFAODLZOF-ZDUSSCGKSA-N 1 2 293.415 1.267 20 30 CDEDLO C=C(C)CN(C)c1nnc(C[N@H+]2CCC[C@H](O)C2)n1CC ZINC001339543843 962415832 /nfs/dbraw/zinc/41/58/32/962415832.db2.gz IFMUTVFAODLZOF-ZDUSSCGKSA-N 1 2 293.415 1.267 20 30 CDEDLO Cn1cncc1C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001420261656 962648211 /nfs/dbraw/zinc/64/82/11/962648211.db2.gz OJVPELTULHXYIV-UHFFFAOYSA-N 1 2 297.362 1.154 20 30 CDEDLO Cn1cncc1C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001420261656 962648221 /nfs/dbraw/zinc/64/82/21/962648221.db2.gz OJVPELTULHXYIV-UHFFFAOYSA-N 1 2 297.362 1.154 20 30 CDEDLO C[N@H+](CCNC(=O)C(C)(C)F)Cc1ccc(C#N)cc1F ZINC001437426034 962879544 /nfs/dbraw/zinc/87/95/44/962879544.db2.gz MXIKAONKTAOXAJ-UHFFFAOYSA-N 1 2 295.333 1.993 20 30 CDEDLO C[N@@H+](CCNC(=O)C(C)(C)F)Cc1ccc(C#N)cc1F ZINC001437426034 962879553 /nfs/dbraw/zinc/87/95/53/962879553.db2.gz MXIKAONKTAOXAJ-UHFFFAOYSA-N 1 2 295.333 1.993 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCc1ccnc(C)n1 ZINC001437500769 962962347 /nfs/dbraw/zinc/96/23/47/962962347.db2.gz ULVUSGFZVCXANG-UHFFFAOYSA-N 1 2 296.802 1.518 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCc1ccnc(C)n1 ZINC001437500769 962962357 /nfs/dbraw/zinc/96/23/57/962962357.db2.gz ULVUSGFZVCXANG-UHFFFAOYSA-N 1 2 296.802 1.518 20 30 CDEDLO CC(C)(F)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001439498253 963774084 /nfs/dbraw/zinc/77/40/84/963774084.db2.gz HLVGDOWEKBONQL-CQSZACIVSA-N 1 2 289.354 1.997 20 30 CDEDLO CC(C)(F)C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001439498253 963774087 /nfs/dbraw/zinc/77/40/87/963774087.db2.gz HLVGDOWEKBONQL-CQSZACIVSA-N 1 2 289.354 1.997 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CC1CCOCC1 ZINC001440906872 964245348 /nfs/dbraw/zinc/24/53/48/964245348.db2.gz CPFGKTCIGKEOTI-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CC1CCOCC1 ZINC001440906872 964245359 /nfs/dbraw/zinc/24/53/59/964245359.db2.gz CPFGKTCIGKEOTI-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO CC(C)(CC#N)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001556957485 965124651 /nfs/dbraw/zinc/12/46/51/965124651.db2.gz CIYLAQKTTWJYKN-NSHDSACASA-N 1 2 260.341 1.502 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CCn2cccn2)C1 ZINC001443807654 965616970 /nfs/dbraw/zinc/61/69/70/965616970.db2.gz LBDOPBIIYFNDJL-CYBMUJFWSA-N 1 2 296.802 1.558 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CCn2cccn2)C1 ZINC001443807654 965616977 /nfs/dbraw/zinc/61/69/77/965616977.db2.gz LBDOPBIIYFNDJL-CYBMUJFWSA-N 1 2 296.802 1.558 20 30 CDEDLO C=C(CC)C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC001548698290 967753678 /nfs/dbraw/zinc/75/36/78/967753678.db2.gz SPSLAYAGBUXVTM-UHFFFAOYSA-N 1 2 287.363 1.435 20 30 CDEDLO C=C(CC)C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC001548698290 967753688 /nfs/dbraw/zinc/75/36/88/967753688.db2.gz SPSLAYAGBUXVTM-UHFFFAOYSA-N 1 2 287.363 1.435 20 30 CDEDLO C[C@H](CC(=O)Nc1ccncc1C#N)n1cc[nH+]c1 ZINC001530310887 969109473 /nfs/dbraw/zinc/10/94/73/969109473.db2.gz PGDDWCICWPMYGI-SNVBAGLBSA-N 1 2 255.281 1.161 20 30 CDEDLO Cc1cccn2cc(CC(=O)Nc3nn(C)cc3C#N)[nH+]c12 ZINC001533607131 969442569 /nfs/dbraw/zinc/44/25/69/969442569.db2.gz BJJPZDPZFSJLIK-UHFFFAOYSA-N 1 2 294.318 1.429 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)c2ccccc2)nn1 ZINC000849140108 969907400 /nfs/dbraw/zinc/90/74/00/969907400.db2.gz QDPOMGHJGVXCBV-HNNXBMFYSA-N 1 2 270.336 1.125 20 30 CDEDLO N#Cc1cc(NC(=O)NCCn2cc[nH+]c2)c(F)cc1F ZINC001467187079 970026639 /nfs/dbraw/zinc/02/66/39/970026639.db2.gz MGTGTPBLIQHRAP-UHFFFAOYSA-N 1 2 291.261 1.855 20 30 CDEDLO N#CC[C@H](C(=O)N1CCn2c[nH+]cc2C1)c1ccccc1 ZINC001468666830 970183658 /nfs/dbraw/zinc/18/36/58/970183658.db2.gz BGMBPYDYIWGVMX-HNNXBMFYSA-N 1 2 280.331 1.923 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCc3cc[nH+]c(N)c3C2)s1 ZINC001470907842 970378546 /nfs/dbraw/zinc/37/85/46/970378546.db2.gz OSUVRPGVAGDJNW-UHFFFAOYSA-N 1 2 284.344 1.795 20 30 CDEDLO CC[C@@H](C(=O)N(CC)CCC#N)[N@@H+]1CCO[C@H](CC)C1 ZINC001361968103 970725137 /nfs/dbraw/zinc/72/51/37/970725137.db2.gz VWXYTCLQEAFOEB-KGLIPLIRSA-N 1 2 281.400 1.638 20 30 CDEDLO CC[C@@H](C(=O)N(CC)CCC#N)[N@H+]1CCO[C@H](CC)C1 ZINC001361968103 970725144 /nfs/dbraw/zinc/72/51/44/970725144.db2.gz VWXYTCLQEAFOEB-KGLIPLIRSA-N 1 2 281.400 1.638 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)CC[N@H+](C)Cc1ccncc1Cl ZINC001496678930 973034419 /nfs/dbraw/zinc/03/44/19/973034419.db2.gz GCNMERLMZLUAOM-NSHDSACASA-N 1 2 294.786 1.785 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)CC[N@@H+](C)Cc1ccncc1Cl ZINC001496678930 973034430 /nfs/dbraw/zinc/03/44/30/973034430.db2.gz GCNMERLMZLUAOM-NSHDSACASA-N 1 2 294.786 1.785 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CSC(C)C)C1 ZINC001373494910 973466292 /nfs/dbraw/zinc/46/62/92/973466292.db2.gz KRDXNZGRBZHMRE-UHFFFAOYSA-N 1 2 276.833 1.929 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1ccn(C)n1 ZINC001498278716 973805991 /nfs/dbraw/zinc/80/59/91/973805991.db2.gz APZCJFUZXWYVGM-NSHDSACASA-N 1 2 284.791 1.152 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1ccn(C)n1 ZINC001498278716 973806002 /nfs/dbraw/zinc/80/60/02/973806002.db2.gz APZCJFUZXWYVGM-NSHDSACASA-N 1 2 284.791 1.152 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cn1nccc1C ZINC001418563822 973974194 /nfs/dbraw/zinc/97/41/94/973974194.db2.gz KVERQQODBOHFRT-UHFFFAOYSA-N 1 2 284.791 1.382 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cn1nccc1C ZINC001418563822 973974203 /nfs/dbraw/zinc/97/42/03/973974203.db2.gz KVERQQODBOHFRT-UHFFFAOYSA-N 1 2 284.791 1.382 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCc2cc(C)on2)C1 ZINC001402189441 976168504 /nfs/dbraw/zinc/16/85/04/976168504.db2.gz WNJWOIFLCWTTHF-CYBMUJFWSA-N 1 2 297.786 1.859 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCc2cc(C)on2)C1 ZINC001402189441 976168511 /nfs/dbraw/zinc/16/85/11/976168511.db2.gz WNJWOIFLCWTTHF-CYBMUJFWSA-N 1 2 297.786 1.859 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1c[nH]nc1CC ZINC001390937853 976613215 /nfs/dbraw/zinc/61/32/15/976613215.db2.gz BMAHVTMWXIYUHI-UHFFFAOYSA-N 1 2 284.791 1.776 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1c[nH]nc1CC ZINC001390937853 976613217 /nfs/dbraw/zinc/61/32/17/976613217.db2.gz BMAHVTMWXIYUHI-UHFFFAOYSA-N 1 2 284.791 1.776 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC001391192970 976755262 /nfs/dbraw/zinc/75/52/62/976755262.db2.gz UQAKMKMSMRMEHA-MCIONIFRSA-N 1 2 298.814 1.887 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC001391192970 976755273 /nfs/dbraw/zinc/75/52/73/976755273.db2.gz UQAKMKMSMRMEHA-MCIONIFRSA-N 1 2 298.814 1.887 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1cnn(CC)c1 ZINC001403926203 977266498 /nfs/dbraw/zinc/26/64/98/977266498.db2.gz FPLYOIYPKKSAHR-UHFFFAOYSA-N 1 2 298.818 1.636 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1cnn(CC)c1 ZINC001403926203 977266506 /nfs/dbraw/zinc/26/65/06/977266506.db2.gz FPLYOIYPKKSAHR-UHFFFAOYSA-N 1 2 298.818 1.636 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001132568649 1163377019 /nfs/dbraw/zinc/37/70/19/1163377019.db2.gz BKWJERXWTDSSHR-QWRGUYRKSA-N 1 2 292.383 1.611 20 30 CDEDLO CCc1noc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000590005106 342519024 /nfs/dbraw/zinc/51/90/24/342519024.db2.gz OXQTXAFQKKKESO-GFCCVEGCSA-N 1 2 299.334 1.552 20 30 CDEDLO CCc1noc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000590005106 342519025 /nfs/dbraw/zinc/51/90/25/342519025.db2.gz OXQTXAFQKKKESO-GFCCVEGCSA-N 1 2 299.334 1.552 20 30 CDEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(CC3(C#N)CC3)n2)C1 ZINC000590271892 342529400 /nfs/dbraw/zinc/52/94/00/342529400.db2.gz MCJMTNYBUFQJHB-LLVKDONJSA-N 1 2 276.340 1.698 20 30 CDEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(CC3(C#N)CC3)n2)C1 ZINC000590271892 342529401 /nfs/dbraw/zinc/52/94/01/342529401.db2.gz MCJMTNYBUFQJHB-LLVKDONJSA-N 1 2 276.340 1.698 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000042455340 341999271 /nfs/dbraw/zinc/99/92/71/341999271.db2.gz PBECEORZSGCDJV-JSGCOSHPSA-N 1 2 273.336 1.389 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000042455340 341999272 /nfs/dbraw/zinc/99/92/72/341999272.db2.gz PBECEORZSGCDJV-JSGCOSHPSA-N 1 2 273.336 1.389 20 30 CDEDLO Cc1ccc(C[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)nc1 ZINC000590754298 342587841 /nfs/dbraw/zinc/58/78/41/342587841.db2.gz RBIUPRMHXOSKBM-MRXNPFEDSA-N 1 2 288.395 1.876 20 30 CDEDLO Cc1ccc(C[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)nc1 ZINC000590754298 342587842 /nfs/dbraw/zinc/58/78/42/342587842.db2.gz RBIUPRMHXOSKBM-MRXNPFEDSA-N 1 2 288.395 1.876 20 30 CDEDLO N#Cc1ccc(NC(=O)NCC[NH+]2CCOCC2)cc1F ZINC000290085960 197589771 /nfs/dbraw/zinc/58/97/71/197589771.db2.gz HDBYAWFBKYDRLZ-UHFFFAOYSA-N 1 2 292.314 1.151 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000047931811 342146764 /nfs/dbraw/zinc/14/67/64/342146764.db2.gz LPIWPEGZRJYWNO-CHWSQXEVSA-N 1 2 298.346 1.727 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147241 342673836 /nfs/dbraw/zinc/67/38/36/342673836.db2.gz KDQYVBUAHRJQHW-LRDDRELGSA-N 1 2 298.346 1.236 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147241 342673837 /nfs/dbraw/zinc/67/38/37/342673837.db2.gz KDQYVBUAHRJQHW-LRDDRELGSA-N 1 2 298.346 1.236 20 30 CDEDLO Cc1cncc(/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000493352086 342666517 /nfs/dbraw/zinc/66/65/17/342666517.db2.gz LIVMIICIRHFRNX-NFAHFFEMSA-N 1 2 272.352 1.363 20 30 CDEDLO CCN(C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592147803 342668007 /nfs/dbraw/zinc/66/80/07/342668007.db2.gz SDUOJCHETPDVGL-MRXNPFEDSA-N 1 2 287.363 1.390 20 30 CDEDLO CCN(C(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592147803 342668008 /nfs/dbraw/zinc/66/80/08/342668008.db2.gz SDUOJCHETPDVGL-MRXNPFEDSA-N 1 2 287.363 1.390 20 30 CDEDLO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147736 342668229 /nfs/dbraw/zinc/66/82/29/342668229.db2.gz RNTLFOJDHLMGKG-SWLSCSKDSA-N 1 2 298.350 1.074 20 30 CDEDLO C[C@@H](c1nnnn1-c1ccccc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147736 342668230 /nfs/dbraw/zinc/66/82/30/342668230.db2.gz RNTLFOJDHLMGKG-SWLSCSKDSA-N 1 2 298.350 1.074 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000592151148 342668860 /nfs/dbraw/zinc/66/88/60/342668860.db2.gz NBKWKFMTJCZCLX-QGZVFWFLSA-N 1 2 296.374 1.782 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000592151148 342668861 /nfs/dbraw/zinc/66/88/61/342668861.db2.gz NBKWKFMTJCZCLX-QGZVFWFLSA-N 1 2 296.374 1.782 20 30 CDEDLO N#CC[C@@]1(O)CCN(Cc2[nH+]ccn2Cc2ccccc2)C1 ZINC000592151148 342668862 /nfs/dbraw/zinc/66/88/62/342668862.db2.gz NBKWKFMTJCZCLX-QGZVFWFLSA-N 1 2 296.374 1.782 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000592151458 342669277 /nfs/dbraw/zinc/66/92/77/342669277.db2.gz PEMKKWOABHYVDH-CQSZACIVSA-N 1 2 293.754 1.629 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000592151458 342669278 /nfs/dbraw/zinc/66/92/78/342669278.db2.gz PEMKKWOABHYVDH-CQSZACIVSA-N 1 2 293.754 1.629 20 30 CDEDLO Cn1c(C[N@@H+]2CC[C@@](O)(CC#N)C2)nc2ccccc21 ZINC000592152561 342669522 /nfs/dbraw/zinc/66/95/22/342669522.db2.gz ZWNBDBILJKLEDL-HNNXBMFYSA-N 1 2 270.336 1.424 20 30 CDEDLO Cn1c(C[N@H+]2CC[C@@](O)(CC#N)C2)nc2ccccc21 ZINC000592152561 342669524 /nfs/dbraw/zinc/66/95/24/342669524.db2.gz ZWNBDBILJKLEDL-HNNXBMFYSA-N 1 2 270.336 1.424 20 30 CDEDLO CCc1cnc(C[N@@H+]2CC[C@](O)(CC#N)C2)s1 ZINC000592522970 342702111 /nfs/dbraw/zinc/70/21/11/342702111.db2.gz UUKWNZIJLNFJOA-GFCCVEGCSA-N 1 2 251.355 1.556 20 30 CDEDLO CCc1cnc(C[N@H+]2CC[C@](O)(CC#N)C2)s1 ZINC000592522970 342702112 /nfs/dbraw/zinc/70/21/12/342702112.db2.gz UUKWNZIJLNFJOA-GFCCVEGCSA-N 1 2 251.355 1.556 20 30 CDEDLO CC[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)CCC#N ZINC000599307871 344002460 /nfs/dbraw/zinc/00/24/60/344002460.db2.gz NSKMDRBUKMHQMC-UHFFFAOYSA-N 1 2 295.342 1.522 20 30 CDEDLO CC[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)CCC#N ZINC000599307871 344002462 /nfs/dbraw/zinc/00/24/62/344002462.db2.gz NSKMDRBUKMHQMC-UHFFFAOYSA-N 1 2 295.342 1.522 20 30 CDEDLO Cc1c(Cl)cncc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593153434 342774182 /nfs/dbraw/zinc/77/41/82/342774182.db2.gz OZCJURFVTQPKRM-ZDUSSCGKSA-N 1 2 280.759 1.617 20 30 CDEDLO CC[C@H](C#N)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000593404076 342791378 /nfs/dbraw/zinc/79/13/78/342791378.db2.gz UNTPHMDYTIASGV-LLVKDONJSA-N 1 2 260.341 1.428 20 30 CDEDLO C#CC[NH+](CC#C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269638039 190525538 /nfs/dbraw/zinc/52/55/38/190525538.db2.gz IBCNJODEHPXANI-AWEZNQCLSA-N 1 2 258.277 1.197 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594027450 342867848 /nfs/dbraw/zinc/86/78/48/342867848.db2.gz UZPUKEPGEOQRCG-QWHCGFSZSA-N 1 2 253.342 1.748 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594027450 342867849 /nfs/dbraw/zinc/86/78/49/342867849.db2.gz UZPUKEPGEOQRCG-QWHCGFSZSA-N 1 2 253.342 1.748 20 30 CDEDLO N#C[C@@H]1CCC[C@H]([NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)C1 ZINC000594507206 342914763 /nfs/dbraw/zinc/91/47/63/342914763.db2.gz BAPQXPBTMSJENI-GRYCIOLGSA-N 1 2 275.356 1.828 20 30 CDEDLO N#C[C@@H]1CCC[C@H]([NH2+]Cc2nnc([C@H]3CCCO3)[nH]2)C1 ZINC000594507206 342914765 /nfs/dbraw/zinc/91/47/65/342914765.db2.gz BAPQXPBTMSJENI-GRYCIOLGSA-N 1 2 275.356 1.828 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CC2(C#N)CCCCC2)nn1 ZINC000594657946 342935776 /nfs/dbraw/zinc/93/57/76/342935776.db2.gz IZYFGTWOVHMOJE-UHFFFAOYSA-N 1 2 271.368 1.865 20 30 CDEDLO C[C@H](C#N)Cn1[nH]c2c(c1=O)C[N@H+](Cc1ccccc1)CC2 ZINC000594659604 342936444 /nfs/dbraw/zinc/93/64/44/342936444.db2.gz GNVVNWYXYROMOS-HIFRSBDPSA-N 1 2 296.374 1.866 20 30 CDEDLO C[C@H](C#N)Cn1[nH]c2c(c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000594659604 342936445 /nfs/dbraw/zinc/93/64/45/342936445.db2.gz GNVVNWYXYROMOS-HIFRSBDPSA-N 1 2 296.374 1.866 20 30 CDEDLO N#CCCN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000024097433 342301767 /nfs/dbraw/zinc/30/17/67/342301767.db2.gz DGWFGQBWJKUBDC-UHFFFAOYSA-N 1 2 287.363 1.489 20 30 CDEDLO CNS(=O)(=O)c1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000595301769 343028345 /nfs/dbraw/zinc/02/83/45/343028345.db2.gz ORIIRMXDZTUZPK-NSHDSACASA-N 1 2 281.381 1.186 20 30 CDEDLO CNS(=O)(=O)c1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000595301769 343028348 /nfs/dbraw/zinc/02/83/48/343028348.db2.gz ORIIRMXDZTUZPK-NSHDSACASA-N 1 2 281.381 1.186 20 30 CDEDLO C=CCNC(=O)CN(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000075914900 342316216 /nfs/dbraw/zinc/31/62/16/342316216.db2.gz YXYGYFSCXHFEEE-UHFFFAOYSA-N 1 2 298.390 1.665 20 30 CDEDLO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595619725 343111146 /nfs/dbraw/zinc/11/11/46/343111146.db2.gz GBJRQGGWCUMIOP-NSHDSACASA-N 1 2 260.341 1.870 20 30 CDEDLO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595619725 343111147 /nfs/dbraw/zinc/11/11/47/343111147.db2.gz GBJRQGGWCUMIOP-NSHDSACASA-N 1 2 260.341 1.870 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNc2nc3ncccc3cc2C#N)C1 ZINC000596099391 343236096 /nfs/dbraw/zinc/23/60/96/343236096.db2.gz UWLZTZINZBQETN-ZDUSSCGKSA-N 1 2 283.335 1.244 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNc2nc3ncccc3cc2C#N)C1 ZINC000596099391 343236099 /nfs/dbraw/zinc/23/60/99/343236099.db2.gz UWLZTZINZBQETN-ZDUSSCGKSA-N 1 2 283.335 1.244 20 30 CDEDLO CC[N@@H+](Cc1cc(=O)n2cc(C)ccc2n1)C[C@H](C)C#N ZINC000140439216 342433696 /nfs/dbraw/zinc/43/36/96/342433696.db2.gz JPOTXBUGRWMMSN-CYBMUJFWSA-N 1 2 284.363 1.985 20 30 CDEDLO CC[N@H+](Cc1cc(=O)n2cc(C)ccc2n1)C[C@H](C)C#N ZINC000140439216 342433697 /nfs/dbraw/zinc/43/36/97/342433697.db2.gz JPOTXBUGRWMMSN-CYBMUJFWSA-N 1 2 284.363 1.985 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C[C@H](C)O1 ZINC000330202788 362177573 /nfs/dbraw/zinc/17/75/73/362177573.db2.gz ZTVWNBGASSTIAO-GRYCIOLGSA-N 1 2 278.356 1.221 20 30 CDEDLO CC(C)[C@@H](C#N)N1CC[NH+](C[C@@](C)(O)C(F)(F)F)CC1 ZINC000619621038 349822516 /nfs/dbraw/zinc/82/25/16/349822516.db2.gz NRVIASZITGGULU-VXGBXAGGSA-N 1 2 293.333 1.465 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(-c2cnco2)cc1 ZINC000573492978 334942360 /nfs/dbraw/zinc/94/23/60/334942360.db2.gz AOAJMQITPCVLQG-INIZCTEOSA-N 1 2 298.346 1.915 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000598593369 343839740 /nfs/dbraw/zinc/83/97/40/343839740.db2.gz RMOGQYDQYNSXAS-OCCSQVGLSA-N 1 2 278.352 1.954 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000598593369 343839742 /nfs/dbraw/zinc/83/97/42/343839742.db2.gz RMOGQYDQYNSXAS-OCCSQVGLSA-N 1 2 278.352 1.954 20 30 CDEDLO CN(CC[NH+]1CCOCC1)C(=O)[C@]1(C#N)CC12CCCC2 ZINC000333203613 529911293 /nfs/dbraw/zinc/91/12/93/529911293.db2.gz OEOLUQBSFHZQTL-MRXNPFEDSA-N 1 2 291.395 1.251 20 30 CDEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc(C#N)[nH]c1C ZINC000598737899 343891988 /nfs/dbraw/zinc/89/19/88/343891988.db2.gz BHCMBOMICDIVOG-JTQLQIEISA-N 1 2 271.324 1.902 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCc3cnc(N)nc3C2)ccc1F ZINC000598947070 343926592 /nfs/dbraw/zinc/92/65/92/343926592.db2.gz JDXBUBWRSUNHAU-UHFFFAOYSA-N 1 2 283.310 1.458 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCc3cnc(N)nc3C2)ccc1F ZINC000598947070 343926593 /nfs/dbraw/zinc/92/65/93/343926593.db2.gz JDXBUBWRSUNHAU-UHFFFAOYSA-N 1 2 283.310 1.458 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598950552 343933919 /nfs/dbraw/zinc/93/39/19/343933919.db2.gz RMAMGIOSVVXJAO-SNVBAGLBSA-N 1 2 269.308 1.136 20 30 CDEDLO N#CCC[N@H+](Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000599397431 344042037 /nfs/dbraw/zinc/04/20/37/344042037.db2.gz JPJJNKXZNJBHCY-HNNXBMFYSA-N 1 2 260.337 1.554 20 30 CDEDLO N#CCC[N@@H+](Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000599397431 344042040 /nfs/dbraw/zinc/04/20/40/344042040.db2.gz JPJJNKXZNJBHCY-HNNXBMFYSA-N 1 2 260.337 1.554 20 30 CDEDLO N#Cc1cccc(C[NH+]2CCN(Cc3cn[nH]c3)CC2)c1 ZINC000599439347 344049348 /nfs/dbraw/zinc/04/93/48/344049348.db2.gz PBWZKMHEXZTORJ-UHFFFAOYSA-N 1 2 281.363 1.599 20 30 CDEDLO N#Cc1cccc(CN2CC[NH+](Cc3cn[nH]c3)CC2)c1 ZINC000599439347 344049351 /nfs/dbraw/zinc/04/93/51/344049351.db2.gz PBWZKMHEXZTORJ-UHFFFAOYSA-N 1 2 281.363 1.599 20 30 CDEDLO COc1cc[nH+]cc1NC(=O)C(=O)N(CCC#N)C(C)C ZINC000526112042 362325661 /nfs/dbraw/zinc/32/56/61/362325661.db2.gz ZZRPIQTXXPGJAU-UHFFFAOYSA-N 1 2 290.323 1.179 20 30 CDEDLO CC[C@H](C)[C@H](C[N@H+](CCC#N)CCN1CCOCC1)OC ZINC000602423759 344420779 /nfs/dbraw/zinc/42/07/79/344420779.db2.gz GCQQDFUPULDXSE-HOTGVXAUSA-N 1 2 297.443 1.595 20 30 CDEDLO CC[C@H](C)[C@H](C[N@@H+](CCC#N)CCN1CCOCC1)OC ZINC000602423759 344420781 /nfs/dbraw/zinc/42/07/81/344420781.db2.gz GCQQDFUPULDXSE-HOTGVXAUSA-N 1 2 297.443 1.595 20 30 CDEDLO CC[C@H](C)[C@H](CN(CCC#N)CC[NH+]1CCOCC1)OC ZINC000602423759 344420783 /nfs/dbraw/zinc/42/07/83/344420783.db2.gz GCQQDFUPULDXSE-HOTGVXAUSA-N 1 2 297.443 1.595 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3CCN(CCC#N)CC3)ccn12 ZINC000602197927 344372730 /nfs/dbraw/zinc/37/27/30/344372730.db2.gz DCONJVSYNZURTB-UHFFFAOYSA-N 1 2 297.362 1.314 20 30 CDEDLO CC(C)(C)OC(=O)[C@H]1C[N@H+](CC2(CC#N)CC2)CCO1 ZINC000602783180 344597819 /nfs/dbraw/zinc/59/78/19/344597819.db2.gz NHNNWCMKCRDPHC-GFCCVEGCSA-N 1 2 280.368 1.723 20 30 CDEDLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](CC2(CC#N)CC2)CCO1 ZINC000602783180 344597821 /nfs/dbraw/zinc/59/78/21/344597821.db2.gz NHNNWCMKCRDPHC-GFCCVEGCSA-N 1 2 280.368 1.723 20 30 CDEDLO N#Cc1cccc(NCc2ccc[nH+]c2N2CCOCC2)n1 ZINC000265535651 362444088 /nfs/dbraw/zinc/44/40/88/362444088.db2.gz OCFCIIRHDDAGDN-UHFFFAOYSA-N 1 2 295.346 1.797 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCCCc1ccccc1 ZINC000602861098 344616572 /nfs/dbraw/zinc/61/65/72/344616572.db2.gz FHJFLIFHNBQRLU-CYBMUJFWSA-N 1 2 259.353 1.627 20 30 CDEDLO Cc1cc(NC(=O)C[NH2+][C@@H](C)CC#N)n(C(C)(C)C)n1 ZINC000602862701 344617997 /nfs/dbraw/zinc/61/79/97/344617997.db2.gz LTVAKHQWNBZHFP-JTQLQIEISA-N 1 2 277.372 1.777 20 30 CDEDLO N#CCC1(C[N@H+](CC(N)=O)Cc2ccccc2)CC1 ZINC000602789205 344601293 /nfs/dbraw/zinc/60/12/93/344601293.db2.gz YOGHKCHEHSRRKO-UHFFFAOYSA-N 1 2 257.337 1.668 20 30 CDEDLO N#CCC1(C[N@@H+](CC(N)=O)Cc2ccccc2)CC1 ZINC000602789205 344601295 /nfs/dbraw/zinc/60/12/95/344601295.db2.gz YOGHKCHEHSRRKO-UHFFFAOYSA-N 1 2 257.337 1.668 20 30 CDEDLO COCc1ccccc1CNC(=O)C[NH2+][C@@H](C)CC#N ZINC000602863724 344630577 /nfs/dbraw/zinc/63/05/77/344630577.db2.gz PKJNQTCOQLUZOF-LBPRGKRZSA-N 1 2 275.352 1.341 20 30 CDEDLO CC(C)[C@H](NC(=O)CC1(C#N)CCOCC1)c1[nH]cc[nH+]1 ZINC000603161950 344724950 /nfs/dbraw/zinc/72/49/50/344724950.db2.gz VCQKEJBABXHCND-ZDUSSCGKSA-N 1 2 290.367 1.933 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCOc2cccc(C#N)c2)nn1 ZINC000603207960 344736483 /nfs/dbraw/zinc/73/64/83/344736483.db2.gz GRGYLOKNEOGAIQ-UHFFFAOYSA-N 1 2 295.346 1.342 20 30 CDEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC1(C#N)CC1)C[C@@H](C)O2 ZINC000447831293 362525231 /nfs/dbraw/zinc/52/52/31/362525231.db2.gz KWJGVZORYBVZML-MBNYWOFBSA-N 1 2 250.342 1.558 20 30 CDEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC1(C#N)CC1)C[C@@H](C)O2 ZINC000447831293 362525235 /nfs/dbraw/zinc/52/52/35/362525235.db2.gz KWJGVZORYBVZML-MBNYWOFBSA-N 1 2 250.342 1.558 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000340651411 345495730 /nfs/dbraw/zinc/49/57/30/345495730.db2.gz RLTBCZGNQYKXRO-OLZOCXBDSA-N 1 2 292.383 1.249 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000448773329 362591635 /nfs/dbraw/zinc/59/16/35/362591635.db2.gz HMZPLKJRVSYNLE-OAHLLOKOSA-N 1 2 298.452 1.523 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H]1CSC[C@H]1C)C(=O)OC ZINC000449302840 362644226 /nfs/dbraw/zinc/64/42/26/362644226.db2.gz WMZYJWVYXVSTBI-OUAUKWLOSA-N 1 2 259.371 1.072 20 30 CDEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCCOCC3)o2)c1 ZINC000610368286 346264829 /nfs/dbraw/zinc/26/48/29/346264829.db2.gz ZSCHRMHSVZGAHS-UHFFFAOYSA-N 1 2 284.319 1.831 20 30 CDEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCCOCC3)o2)c1 ZINC000610368286 346264832 /nfs/dbraw/zinc/26/48/32/346264832.db2.gz ZSCHRMHSVZGAHS-UHFFFAOYSA-N 1 2 284.319 1.831 20 30 CDEDLO Cc1cccc2[nH+]c(CN3CCN(CCC#N)CC3)cn21 ZINC000611175102 346629308 /nfs/dbraw/zinc/62/93/08/346629308.db2.gz WSEKKCUBYUYPNZ-UHFFFAOYSA-N 1 2 283.379 1.674 20 30 CDEDLO CCCCCNC(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611175674 346632088 /nfs/dbraw/zinc/63/20/88/346632088.db2.gz HZJKPKUPQRQREW-CQSZACIVSA-N 1 2 280.416 1.213 20 30 CDEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(CC)cc2)CC1 ZINC000174315175 365845422 /nfs/dbraw/zinc/84/54/22/365845422.db2.gz BTGHUWKGUSAVRO-UHFFFAOYSA-N 1 2 287.407 1.673 20 30 CDEDLO C[C@H]1C[C@@]1(C#N)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000449896013 362779547 /nfs/dbraw/zinc/77/95/47/362779547.db2.gz OUDMNOXLURVZCQ-SJCJKPOMSA-N 1 2 294.358 1.735 20 30 CDEDLO C=C[C@H](O)C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000612529593 347201253 /nfs/dbraw/zinc/20/12/53/347201253.db2.gz NPOZMWRHSJVXFT-AWEZNQCLSA-N 1 2 294.782 1.531 20 30 CDEDLO C=C[C@H](O)C(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000612995117 347360007 /nfs/dbraw/zinc/36/00/07/347360007.db2.gz VZFGHPNFBMQBMS-CJNGLKHVSA-N 1 2 299.374 1.883 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(F)cc2C)CC1 ZINC000490779012 347577552 /nfs/dbraw/zinc/57/75/52/347577552.db2.gz QTNXONYPRXZLGN-UHFFFAOYSA-N 1 2 289.354 1.323 20 30 CDEDLO C=C[C@](C)(O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000613423010 347722906 /nfs/dbraw/zinc/72/29/06/347722906.db2.gz GOKYHICPDZGFEP-INIZCTEOSA-N 1 2 291.395 1.839 20 30 CDEDLO COCC[N@H+](CCC#N)CCc1ccccc1C(=O)OC ZINC000614168944 348007523 /nfs/dbraw/zinc/00/75/23/348007523.db2.gz KHBGHUCFDICQKE-UHFFFAOYSA-N 1 2 290.363 1.878 20 30 CDEDLO COCC[N@@H+](CCC#N)CCc1ccccc1C(=O)OC ZINC000614168944 348007527 /nfs/dbraw/zinc/00/75/27/348007527.db2.gz KHBGHUCFDICQKE-UHFFFAOYSA-N 1 2 290.363 1.878 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCSC[C@H]1C(N)=O ZINC000614403075 348101195 /nfs/dbraw/zinc/10/11/95/348101195.db2.gz AEVUZVNWTRKNAF-ZDUSSCGKSA-N 1 2 275.377 1.269 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@H+]1CCSC[C@H]1C(N)=O ZINC000614403075 348101199 /nfs/dbraw/zinc/10/11/99/348101199.db2.gz AEVUZVNWTRKNAF-ZDUSSCGKSA-N 1 2 275.377 1.269 20 30 CDEDLO Cc1cccc(OC[C@@H](O)C[N@H+](C)CCC#N)c1C ZINC000414164014 362929530 /nfs/dbraw/zinc/92/95/30/362929530.db2.gz NWEHCRPDNMVSIR-AWEZNQCLSA-N 1 2 262.353 1.889 20 30 CDEDLO Cc1cccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c1C ZINC000414164014 362929535 /nfs/dbraw/zinc/92/95/35/362929535.db2.gz NWEHCRPDNMVSIR-AWEZNQCLSA-N 1 2 262.353 1.889 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000066470451 348986450 /nfs/dbraw/zinc/98/64/50/348986450.db2.gz SXJKEZKRIKCSDZ-LLVKDONJSA-N 1 2 271.320 1.374 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000066470451 348986453 /nfs/dbraw/zinc/98/64/53/348986453.db2.gz SXJKEZKRIKCSDZ-LLVKDONJSA-N 1 2 271.320 1.374 20 30 CDEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000066869927 349001290 /nfs/dbraw/zinc/00/12/90/349001290.db2.gz IQOLOGQEQFHQOB-UHFFFAOYSA-N 1 2 294.786 1.159 20 30 CDEDLO N#CCCC[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000067130615 349014676 /nfs/dbraw/zinc/01/46/76/349014676.db2.gz FVPQJLQBRGXBLZ-UHFFFAOYSA-N 1 2 257.337 1.748 20 30 CDEDLO COCCN1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000054187700 349377488 /nfs/dbraw/zinc/37/74/88/349377488.db2.gz JASWYTBLAZGSHL-UHFFFAOYSA-N 1 2 289.379 1.201 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000110489807 186298660 /nfs/dbraw/zinc/29/86/60/186298660.db2.gz KAVPZXMNTXAYDX-GFCCVEGCSA-N 1 2 276.296 1.209 20 30 CDEDLO C[N@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000110489807 186298662 /nfs/dbraw/zinc/29/86/62/186298662.db2.gz KAVPZXMNTXAYDX-GFCCVEGCSA-N 1 2 276.296 1.209 20 30 CDEDLO C=CCNc1ncc(C(=O)N[C@H](C)c2[nH+]ccn2C)s1 ZINC000622182086 351058139 /nfs/dbraw/zinc/05/81/39/351058139.db2.gz UGEZHEPLPXMHKP-SECBINFHSA-N 1 2 291.380 1.387 20 30 CDEDLO N#CCSCC(=O)NCCCCNc1cccc[nH+]1 ZINC000264550112 363092804 /nfs/dbraw/zinc/09/28/04/363092804.db2.gz URZMBVIJHNQKTM-UHFFFAOYSA-N 1 2 278.381 1.647 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152208797 188002164 /nfs/dbraw/zinc/00/21/64/188002164.db2.gz VUUUHSXADVGDDO-GFCCVEGCSA-N 1 2 289.383 1.164 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152208797 188002165 /nfs/dbraw/zinc/00/21/65/188002165.db2.gz VUUUHSXADVGDDO-GFCCVEGCSA-N 1 2 289.383 1.164 20 30 CDEDLO C[C@H]1C[N@H+](CCNc2cc(C#N)ccc2[N+](=O)[O-])CCO1 ZINC000545221434 363214461 /nfs/dbraw/zinc/21/44/61/363214461.db2.gz DFVVBFWGCOLFLL-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@H]1C[N@@H+](CCNc2cc(C#N)ccc2[N+](=O)[O-])CCO1 ZINC000545221434 363214467 /nfs/dbraw/zinc/21/44/67/363214467.db2.gz DFVVBFWGCOLFLL-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO Cc1ccc2[nH+]c(CNC(=O)[C@@]3(C#N)C[C@@H]3C)cn2c1 ZINC000336244487 363224662 /nfs/dbraw/zinc/22/46/62/363224662.db2.gz HNOAYECVSTZTJD-XHDPSFHLSA-N 1 2 268.320 1.809 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C2CC2)C(F)(F)F)C1 ZINC000329251268 283022826 /nfs/dbraw/zinc/02/28/26/283022826.db2.gz UTUKSUGVUDADQR-ZJUUUORDSA-N 1 2 295.305 1.162 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C2CC2)C(F)(F)F)C1 ZINC000329251268 283022828 /nfs/dbraw/zinc/02/28/28/283022828.db2.gz UTUKSUGVUDADQR-ZJUUUORDSA-N 1 2 295.305 1.162 20 30 CDEDLO C=CCCn1cc(CNc2[nH+]c3ccccc3n2C)nn1 ZINC000634573228 356062163 /nfs/dbraw/zinc/06/21/63/356062163.db2.gz IJNGEQFRFRWSHU-UHFFFAOYSA-N 1 2 282.351 1.775 20 30 CDEDLO CC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(C)c2)CC1 ZINC000233491665 356349744 /nfs/dbraw/zinc/34/97/44/356349744.db2.gz CYPIEFKVIPKNOA-UHFFFAOYSA-N 1 2 293.392 1.193 20 30 CDEDLO CC(C)OC[C@H]1C[N@H+](CCOCCC#N)CCO1 ZINC000549938618 356353351 /nfs/dbraw/zinc/35/33/51/356353351.db2.gz AAAKEWILKGCIMT-CYBMUJFWSA-N 1 2 256.346 1.042 20 30 CDEDLO CC(C)OC[C@H]1C[N@@H+](CCOCCC#N)CCO1 ZINC000549938618 356353353 /nfs/dbraw/zinc/35/33/53/356353353.db2.gz AAAKEWILKGCIMT-CYBMUJFWSA-N 1 2 256.346 1.042 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1nnc(C)s1 ZINC000273578988 192211899 /nfs/dbraw/zinc/21/18/99/192211899.db2.gz GOCIOVWQEMYOLX-JGVFFNPUSA-N 1 2 254.359 1.188 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2coc(CCC)n2)CC1 ZINC000273609481 192228694 /nfs/dbraw/zinc/22/86/94/192228694.db2.gz QYGZCLJSDBBGFZ-UHFFFAOYSA-N 1 2 275.352 1.408 20 30 CDEDLO CC(=O)N1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000015257268 363535013 /nfs/dbraw/zinc/53/50/13/363535013.db2.gz HLARFCPKONTGBF-UHFFFAOYSA-N 1 2 273.336 1.101 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000644674622 366341411 /nfs/dbraw/zinc/34/14/11/366341411.db2.gz SMHREJDXFQFANB-ZDUSSCGKSA-N 1 2 266.385 1.522 20 30 CDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ncccc1C#N ZINC000286507745 356793071 /nfs/dbraw/zinc/79/30/71/356793071.db2.gz YSDXKUSLNRPODD-TZMCWYRMSA-N 1 2 272.352 1.253 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000299302228 357014378 /nfs/dbraw/zinc/01/43/78/357014378.db2.gz OWAZMQHNBCMYIP-NSHDSACASA-N 1 2 251.330 1.360 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)COc2ccc(OC)cc2)CC1 ZINC000020320756 357265119 /nfs/dbraw/zinc/26/51/19/357265119.db2.gz JQUCNNRMXGQLLV-UHFFFAOYSA-N 1 2 290.363 1.404 20 30 CDEDLO CC1=CC[N@H+](CCNS(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000344670477 357475909 /nfs/dbraw/zinc/47/59/09/357475909.db2.gz KKTUMMUKOUCEKX-UHFFFAOYSA-N 1 2 295.364 1.082 20 30 CDEDLO CC1=CC[N@@H+](CCNS(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000344670477 357475915 /nfs/dbraw/zinc/47/59/15/357475915.db2.gz KKTUMMUKOUCEKX-UHFFFAOYSA-N 1 2 295.364 1.082 20 30 CDEDLO COc1cc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)ccc1C#N ZINC000282834034 357478145 /nfs/dbraw/zinc/47/81/45/357478145.db2.gz UYVFPRFVDSGRGQ-ZDUSSCGKSA-N 1 2 294.376 1.186 20 30 CDEDLO COc1cc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)ccc1C#N ZINC000282834034 357478148 /nfs/dbraw/zinc/47/81/48/357478148.db2.gz UYVFPRFVDSGRGQ-ZDUSSCGKSA-N 1 2 294.376 1.186 20 30 CDEDLO C#CCO[C@@H](C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000294629277 199113704 /nfs/dbraw/zinc/11/37/04/199113704.db2.gz ZKRQARRQQBLTIL-LBPRGKRZSA-N 1 2 271.320 1.031 20 30 CDEDLO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000329715356 283331654 /nfs/dbraw/zinc/33/16/54/283331654.db2.gz UWNFCECKPYQTIA-VXGBXAGGSA-N 1 2 288.413 1.395 20 30 CDEDLO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000329715356 283331661 /nfs/dbraw/zinc/33/16/61/283331661.db2.gz UWNFCECKPYQTIA-VXGBXAGGSA-N 1 2 288.413 1.395 20 30 CDEDLO CC[C@H](C(N)=O)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000080908536 358108355 /nfs/dbraw/zinc/10/83/55/358108355.db2.gz HPRVSSIJAGCGAN-HUUCEWRRSA-N 1 2 286.379 1.133 20 30 CDEDLO Cc1ncsc1/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000493433935 358598478 /nfs/dbraw/zinc/59/84/78/358598478.db2.gz PFXBOVNMIWMURT-SZZPACECSA-N 1 2 278.381 1.425 20 30 CDEDLO O=C(NC1CC1)[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000151498972 358801541 /nfs/dbraw/zinc/80/15/41/358801541.db2.gz UFQBOZDYSYAXBM-INIZCTEOSA-N 1 2 286.350 1.920 20 30 CDEDLO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000151498972 358801546 /nfs/dbraw/zinc/80/15/46/358801546.db2.gz UFQBOZDYSYAXBM-INIZCTEOSA-N 1 2 286.350 1.920 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000494870210 366513716 /nfs/dbraw/zinc/51/37/16/366513716.db2.gz GUSZNANTQKMZTA-AWEZNQCLSA-N 1 2 295.427 1.847 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000494870210 366513723 /nfs/dbraw/zinc/51/37/23/366513723.db2.gz GUSZNANTQKMZTA-AWEZNQCLSA-N 1 2 295.427 1.847 20 30 CDEDLO CN1CCC[C@@H]([NH+]2CCN(c3ccccc3C#N)CC2)C1=O ZINC000538712650 358892018 /nfs/dbraw/zinc/89/20/18/358892018.db2.gz HMRWNQUPCALACA-MRXNPFEDSA-N 1 2 298.390 1.301 20 30 CDEDLO CN1CCC[C@H]([NH+]2CCN(c3ccccc3C#N)CC2)C1=O ZINC000538712649 358892097 /nfs/dbraw/zinc/89/20/97/358892097.db2.gz HMRWNQUPCALACA-INIZCTEOSA-N 1 2 298.390 1.301 20 30 CDEDLO N#Cc1ccc(F)cc1CN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000345760525 358901367 /nfs/dbraw/zinc/90/13/67/358901367.db2.gz RQQJLDJRSQSKPA-UHFFFAOYSA-N 1 2 299.353 1.738 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000355273442 359289709 /nfs/dbraw/zinc/28/97/09/359289709.db2.gz WKMPLWMJXCGEQW-BXUZGUMPSA-N 1 2 263.341 1.063 20 30 CDEDLO C=C1CC[NH+](CC(=O)NC(=O)c2ccc(OC)cc2)CC1 ZINC000264423992 359310258 /nfs/dbraw/zinc/31/02/58/359310258.db2.gz AZKGGNUKXSUNBG-UHFFFAOYSA-N 1 2 288.347 1.604 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(F)cc2O)CC1 ZINC000269724385 359374922 /nfs/dbraw/zinc/37/49/22/359374922.db2.gz TYMSIKJJACMASO-UHFFFAOYSA-N 1 2 276.311 1.312 20 30 CDEDLO C#CCOc1ccccc1CNC(=O)CCn1cc[nH+]c1 ZINC000265105145 359324130 /nfs/dbraw/zinc/32/41/30/359324130.db2.gz BZPHTXXGSIWZCE-UHFFFAOYSA-N 1 2 283.331 1.602 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1cc(C(=O)OC)ccc1C ZINC000266953106 359345498 /nfs/dbraw/zinc/34/54/98/359345498.db2.gz USCRNFDJXQYFPJ-UHFFFAOYSA-N 1 2 288.347 1.675 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1cc(C(=O)OC)ccc1C ZINC000266953106 359345500 /nfs/dbraw/zinc/34/55/00/359345500.db2.gz USCRNFDJXQYFPJ-UHFFFAOYSA-N 1 2 288.347 1.675 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000266944660 359346576 /nfs/dbraw/zinc/34/65/76/359346576.db2.gz SAKZYYBLQKLLFC-UHFFFAOYSA-N 1 2 291.307 1.497 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000266944660 359346580 /nfs/dbraw/zinc/34/65/80/359346580.db2.gz SAKZYYBLQKLLFC-UHFFFAOYSA-N 1 2 291.307 1.497 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccccc1C(C)=O ZINC000266949932 359347600 /nfs/dbraw/zinc/34/76/00/359347600.db2.gz UAPQNIMPIGSTLM-UHFFFAOYSA-N 1 2 258.321 1.783 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccccc1C(C)=O ZINC000266949932 359347605 /nfs/dbraw/zinc/34/76/05/359347605.db2.gz UAPQNIMPIGSTLM-UHFFFAOYSA-N 1 2 258.321 1.783 20 30 CDEDLO CC#CC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000277610240 359568380 /nfs/dbraw/zinc/56/83/80/359568380.db2.gz HTQIFHNJAFVENF-CYBMUJFWSA-N 1 2 257.337 1.310 20 30 CDEDLO CC#CC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000278839439 359582881 /nfs/dbraw/zinc/58/28/81/359582881.db2.gz KJZVXUQSDRPGOV-UHFFFAOYSA-N 1 2 259.309 1.188 20 30 CDEDLO C#CCn1ccc(CN(CC)[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000279682566 359591721 /nfs/dbraw/zinc/59/17/21/359591721.db2.gz GSYJEKZZQQXUGK-HNNXBMFYSA-N 1 2 290.411 1.059 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(C)no1 ZINC000348096252 359831880 /nfs/dbraw/zinc/83/18/80/359831880.db2.gz QEKHAXWGEYJLEQ-WDEREUQCSA-N 1 2 280.372 1.842 20 30 CDEDLO C[C@@H](C#N)CN(CC[N@@H+]1CCOC[C@@H]1C)C1CC1 ZINC000337172298 360008548 /nfs/dbraw/zinc/00/85/48/360008548.db2.gz FHVUKJOMQRHZBB-STQMWFEESA-N 1 2 251.374 1.331 20 30 CDEDLO C[C@@H](C#N)CN(CC[N@H+]1CCOC[C@@H]1C)C1CC1 ZINC000337172298 360008549 /nfs/dbraw/zinc/00/85/49/360008549.db2.gz FHVUKJOMQRHZBB-STQMWFEESA-N 1 2 251.374 1.331 20 30 CDEDLO C[C@@H](C#N)C[N@H+](CCN1CCOC[C@@H]1C)C1CC1 ZINC000337172298 360008554 /nfs/dbraw/zinc/00/85/54/360008554.db2.gz FHVUKJOMQRHZBB-STQMWFEESA-N 1 2 251.374 1.331 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](CCN1CCOC[C@@H]1C)C1CC1 ZINC000337172298 360008557 /nfs/dbraw/zinc/00/85/57/360008557.db2.gz FHVUKJOMQRHZBB-STQMWFEESA-N 1 2 251.374 1.331 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCN1CCCC(C)(C)[C@@H]1C#N ZINC000337208216 360039637 /nfs/dbraw/zinc/03/96/37/360039637.db2.gz QCNIYTWJLNSLCW-KGLIPLIRSA-N 1 2 265.401 1.721 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCN1CCCC(C)(C)[C@@H]1C#N ZINC000337208216 360039642 /nfs/dbraw/zinc/03/96/42/360039642.db2.gz QCNIYTWJLNSLCW-KGLIPLIRSA-N 1 2 265.401 1.721 20 30 CDEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H](C(=O)OC)C2)cc1 ZINC000093081525 360290028 /nfs/dbraw/zinc/29/00/28/360290028.db2.gz JAQCOXLXUBWGDG-HNNXBMFYSA-N 1 2 291.347 1.625 20 30 CDEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H](C(=O)OC)C2)cc1 ZINC000093081525 360290029 /nfs/dbraw/zinc/29/00/29/360290029.db2.gz JAQCOXLXUBWGDG-HNNXBMFYSA-N 1 2 291.347 1.625 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000245619266 360720663 /nfs/dbraw/zinc/72/06/63/360720663.db2.gz DQSZAFQQPNBITQ-SYQHCUMBSA-N 1 2 281.400 1.539 20 30 CDEDLO CC(C)OCC[C@H](O)C[N@H+](CC#N)C1CCCC1 ZINC000349885739 360958206 /nfs/dbraw/zinc/95/82/06/360958206.db2.gz SVNDAXWVUVRRNI-AWEZNQCLSA-N 1 2 254.374 1.931 20 30 CDEDLO CC(C)OCC[C@H](O)C[N@@H+](CC#N)C1CCCC1 ZINC000349885739 360958210 /nfs/dbraw/zinc/95/82/10/360958210.db2.gz SVNDAXWVUVRRNI-AWEZNQCLSA-N 1 2 254.374 1.931 20 30 CDEDLO Cc1ccc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1C ZINC000564731611 361027988 /nfs/dbraw/zinc/02/79/88/361027988.db2.gz NDNOVZXTOSWEEP-MRXNPFEDSA-N 1 2 273.380 1.806 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180492666 189258359 /nfs/dbraw/zinc/25/83/59/189258359.db2.gz ZOOYTZCAYUEAEZ-UHFFFAOYSA-N 1 2 272.270 1.838 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180492666 189258360 /nfs/dbraw/zinc/25/83/60/189258360.db2.gz ZOOYTZCAYUEAEZ-UHFFFAOYSA-N 1 2 272.270 1.838 20 30 CDEDLO CC[N@H+](CC#Cc1ccc(F)cc1)[C@@H](C)CS(C)(=O)=O ZINC000151251521 361203038 /nfs/dbraw/zinc/20/30/38/361203038.db2.gz VPPUYDPRXSUEKU-ZDUSSCGKSA-N 1 2 297.395 1.932 20 30 CDEDLO CC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H](C)CS(C)(=O)=O ZINC000151251521 361203042 /nfs/dbraw/zinc/20/30/42/361203042.db2.gz VPPUYDPRXSUEKU-ZDUSSCGKSA-N 1 2 297.395 1.932 20 30 CDEDLO C[C@@H](Cc1ccccc1F)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000566309990 370680377 /nfs/dbraw/zinc/68/03/77/370680377.db2.gz ZEUIYELTDVPGJO-BLLLJJGKSA-N 1 2 291.370 1.964 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000565431165 361321025 /nfs/dbraw/zinc/32/10/25/361321025.db2.gz HIUVAKQBQCDNHO-MNOVXSKESA-N 1 2 251.330 1.032 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000565431165 361321030 /nfs/dbraw/zinc/32/10/30/361321030.db2.gz HIUVAKQBQCDNHO-MNOVXSKESA-N 1 2 251.330 1.032 20 30 CDEDLO C[N@H+](CC(=O)NC1CC1)Cc1ccc(C#N)c(F)c1 ZINC000191914764 361389660 /nfs/dbraw/zinc/38/96/60/361389660.db2.gz ANXQJLHXYRAVMY-UHFFFAOYSA-N 1 2 261.300 1.408 20 30 CDEDLO C[N@@H+](CC(=O)NC1CC1)Cc1ccc(C#N)c(F)c1 ZINC000191914764 361389664 /nfs/dbraw/zinc/38/96/64/361389664.db2.gz ANXQJLHXYRAVMY-UHFFFAOYSA-N 1 2 261.300 1.408 20 30 CDEDLO CSCC[C@](C)(C#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000583634033 361579989 /nfs/dbraw/zinc/57/99/89/361579989.db2.gz GZARBUDYGVDTOT-WCQYABFASA-N 1 2 280.397 1.986 20 30 CDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000329679927 361705286 /nfs/dbraw/zinc/70/52/86/361705286.db2.gz XPDXEJHGISHBEI-QMMMGPOBSA-N 1 2 279.344 1.197 20 30 CDEDLO CC(C)(C)[C@@](C)(C#N)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000570689933 363882895 /nfs/dbraw/zinc/88/28/95/363882895.db2.gz BRSOBVKODHGHGU-OAHLLOKOSA-N 1 2 298.350 1.720 20 30 CDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccncc1 ZINC000156839021 363886435 /nfs/dbraw/zinc/88/64/35/363886435.db2.gz QOZJAWNNKTUYNL-ZDUSSCGKSA-N 1 2 294.362 1.454 20 30 CDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccncc1 ZINC000156839021 363886439 /nfs/dbraw/zinc/88/64/39/363886439.db2.gz QOZJAWNNKTUYNL-ZDUSSCGKSA-N 1 2 294.362 1.454 20 30 CDEDLO C[C@H]1OCC[N@H+](Cc2cnc3c(C#N)cnn3c2)[C@H]1C ZINC000580834413 363948858 /nfs/dbraw/zinc/94/88/58/363948858.db2.gz AILQNLXSUYTCGL-WDEREUQCSA-N 1 2 271.324 1.210 20 30 CDEDLO C[C@H]1OCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)[C@H]1C ZINC000580834413 363948864 /nfs/dbraw/zinc/94/88/64/363948864.db2.gz AILQNLXSUYTCGL-WDEREUQCSA-N 1 2 271.324 1.210 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@]23CCNC3=O)c(F)c1 ZINC000580567266 363923453 /nfs/dbraw/zinc/92/34/53/363923453.db2.gz UFZKXTQBNUXDPP-OAHLLOKOSA-N 1 2 273.311 1.552 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@]23CCNC3=O)c(F)c1 ZINC000580567266 363923459 /nfs/dbraw/zinc/92/34/59/363923459.db2.gz UFZKXTQBNUXDPP-OAHLLOKOSA-N 1 2 273.311 1.552 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000374556145 370724570 /nfs/dbraw/zinc/72/45/70/370724570.db2.gz JHWJQGFYWWNDCC-BBRMVZONSA-N 1 2 274.339 1.695 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000374556145 370724573 /nfs/dbraw/zinc/72/45/73/370724573.db2.gz JHWJQGFYWWNDCC-BBRMVZONSA-N 1 2 274.339 1.695 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170862162 364408900 /nfs/dbraw/zinc/40/89/00/364408900.db2.gz GUZPMNKJKIUVLM-ZDUSSCGKSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170862162 364408904 /nfs/dbraw/zinc/40/89/04/364408904.db2.gz GUZPMNKJKIUVLM-ZDUSSCGKSA-N 1 2 284.400 1.195 20 30 CDEDLO C[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)c1cccc(C#N)c1 ZINC000412427653 240211451 /nfs/dbraw/zinc/21/14/51/240211451.db2.gz QFNZTQGBZURYJB-WQVCFCJDSA-N 1 2 299.374 1.203 20 30 CDEDLO C[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)c1cccc(C#N)c1 ZINC000412427653 240211457 /nfs/dbraw/zinc/21/14/57/240211457.db2.gz QFNZTQGBZURYJB-WQVCFCJDSA-N 1 2 299.374 1.203 20 30 CDEDLO N#Cc1ccnc(N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000231895861 365003023 /nfs/dbraw/zinc/00/30/23/365003023.db2.gz AUSPLOWTPPEWQF-UHFFFAOYSA-N 1 2 266.308 1.070 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(Cl)cn2)nn1 ZINC000641142534 365101334 /nfs/dbraw/zinc/10/13/34/365101334.db2.gz JROUSXMZIPKNCS-UHFFFAOYSA-N 1 2 275.743 1.488 20 30 CDEDLO N#Cc1csc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000548310364 366887052 /nfs/dbraw/zinc/88/70/52/366887052.db2.gz HPIASAHFKLWUTJ-SNVBAGLBSA-N 1 2 272.333 1.561 20 30 CDEDLO C#CCOc1ccc(C[NH2+][C@@H](C)c2ncn(C)n2)cc1 ZINC000275813567 193136420 /nfs/dbraw/zinc/13/64/20/193136420.db2.gz LVSRYGLJNFVZRS-LBPRGKRZSA-N 1 2 270.336 1.678 20 30 CDEDLO C#CC[N@@H+](CC1(O)CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000305237816 367051540 /nfs/dbraw/zinc/05/15/40/367051540.db2.gz ONCWLQNPZCBQLF-SHARSMKWSA-N 1 2 299.436 1.050 20 30 CDEDLO C#CC[N@H+](CC1(O)CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000305237816 367051544 /nfs/dbraw/zinc/05/15/44/367051544.db2.gz ONCWLQNPZCBQLF-SHARSMKWSA-N 1 2 299.436 1.050 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)ccc1F ZINC000131811818 368030484 /nfs/dbraw/zinc/03/04/84/368030484.db2.gz VTBVQDKYWVZLII-CABCVRRESA-N 1 2 287.338 1.940 20 30 CDEDLO N#Cc1cc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)ccc1F ZINC000131811818 368030494 /nfs/dbraw/zinc/03/04/94/368030494.db2.gz VTBVQDKYWVZLII-CABCVRRESA-N 1 2 287.338 1.940 20 30 CDEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC1(C#N)CC1 ZINC000530283854 368163251 /nfs/dbraw/zinc/16/32/51/368163251.db2.gz JKUVMNQIHZSIHR-UHFFFAOYSA-N 1 2 290.273 1.795 20 30 CDEDLO N#CCN1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000065969168 368341409 /nfs/dbraw/zinc/34/14/09/368341409.db2.gz IWMPAKMFRNNZCS-UHFFFAOYSA-N 1 2 260.297 1.236 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1nnc(C)o1 ZINC000541684638 368662621 /nfs/dbraw/zinc/66/26/21/368662621.db2.gz DDQJVYVTIHYGQW-MNOVXSKESA-N 1 2 278.356 1.618 20 30 CDEDLO N#CCc1ccc(C[N@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000554743586 370229372 /nfs/dbraw/zinc/22/93/72/370229372.db2.gz NZVPRLOOTQOXAY-AWEZNQCLSA-N 1 2 297.362 1.956 20 30 CDEDLO N#CCc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000554743586 370229376 /nfs/dbraw/zinc/22/93/76/370229376.db2.gz NZVPRLOOTQOXAY-AWEZNQCLSA-N 1 2 297.362 1.956 20 30 CDEDLO C[C@H]1C[N@H+](CC2(C#N)CC2)CC2(CCOCC2)O1 ZINC000565873170 370554234 /nfs/dbraw/zinc/55/42/34/370554234.db2.gz VLDNYIUUGVJYBF-LBPRGKRZSA-N 1 2 250.342 1.560 20 30 CDEDLO C[C@H]1C[N@@H+](CC2(C#N)CC2)CC2(CCOCC2)O1 ZINC000565873170 370554239 /nfs/dbraw/zinc/55/42/39/370554239.db2.gz VLDNYIUUGVJYBF-LBPRGKRZSA-N 1 2 250.342 1.560 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000157942913 371200703 /nfs/dbraw/zinc/20/07/03/371200703.db2.gz MRSALCISEPQOSP-UHFFFAOYSA-N 1 2 252.264 1.858 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000157942913 371200707 /nfs/dbraw/zinc/20/07/07/371200707.db2.gz MRSALCISEPQOSP-UHFFFAOYSA-N 1 2 252.264 1.858 20 30 CDEDLO N#CCC[NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000568502239 371226293 /nfs/dbraw/zinc/22/62/93/371226293.db2.gz JIGJPVRXXQGMDU-AWEZNQCLSA-N 1 2 293.317 1.959 20 30 CDEDLO C=CCn1cccc1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000573154952 371446593 /nfs/dbraw/zinc/44/65/93/371446593.db2.gz NQFUMEXURYZYMI-CYBMUJFWSA-N 1 2 277.368 1.125 20 30 CDEDLO C=CCn1cccc1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000573154952 371446599 /nfs/dbraw/zinc/44/65/99/371446599.db2.gz NQFUMEXURYZYMI-CYBMUJFWSA-N 1 2 277.368 1.125 20 30 CDEDLO Cn1ccc(C[NH+]2CCC([C@H](O)C(=O)NC3CC3)CC2)n1 ZINC000329213603 227356866 /nfs/dbraw/zinc/35/68/66/227356866.db2.gz JSBKJFRTQLGWIP-AWEZNQCLSA-N 1 2 292.383 1.112 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1c1nc([C@@H]2C[N@@H+](C)CCN2C)no1 ZINC000350047706 372277464 /nfs/dbraw/zinc/27/74/64/372277464.db2.gz OJSDNCOVMUARJZ-FRRDWIJNSA-N 1 2 292.383 1.437 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1c1nc([C@@H]2C[N@H+](C)CCN2C)no1 ZINC000350047706 372277471 /nfs/dbraw/zinc/27/74/71/372277471.db2.gz OJSDNCOVMUARJZ-FRRDWIJNSA-N 1 2 292.383 1.437 20 30 CDEDLO CC(C)c1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nn1C ZINC000578754339 372544692 /nfs/dbraw/zinc/54/46/92/372544692.db2.gz YUSTVLQMQKFNGC-AWEZNQCLSA-N 1 2 277.372 1.117 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191120267 373450157 /nfs/dbraw/zinc/45/01/57/373450157.db2.gz NYZMUYSQYJDKFD-UHFFFAOYSA-N 1 2 293.323 1.328 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191120267 373450162 /nfs/dbraw/zinc/45/01/62/373450162.db2.gz NYZMUYSQYJDKFD-UHFFFAOYSA-N 1 2 293.323 1.328 20 30 CDEDLO C[C@@H]1C[N@H+](CCN(CCC#N)CC2CC2)CCO1 ZINC000191526423 373514373 /nfs/dbraw/zinc/51/43/73/373514373.db2.gz XMWPQPRUFJRJNT-CYBMUJFWSA-N 1 2 251.374 1.333 20 30 CDEDLO C[C@@H]1C[N@@H+](CCN(CCC#N)CC2CC2)CCO1 ZINC000191526423 373514382 /nfs/dbraw/zinc/51/43/82/373514382.db2.gz XMWPQPRUFJRJNT-CYBMUJFWSA-N 1 2 251.374 1.333 20 30 CDEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)NC)CC2)cc1 ZINC000289588610 197412691 /nfs/dbraw/zinc/41/26/91/197412691.db2.gz HUQODNSAWNDRKF-UHFFFAOYSA-N 1 2 257.337 1.125 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCOC2(CCC2)C1 ZINC000154146997 373677601 /nfs/dbraw/zinc/67/76/01/373677601.db2.gz KNMXVLHMYZCTAW-UKRRQHHQSA-N 1 2 293.411 1.684 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCOC2(CCC2)C1 ZINC000154146997 373677606 /nfs/dbraw/zinc/67/76/06/373677606.db2.gz KNMXVLHMYZCTAW-UKRRQHHQSA-N 1 2 293.411 1.684 20 30 CDEDLO N#Cc1ccc(C[NH+]2C[C@@H](O)[C@H](O)C2)c(C(F)(F)F)c1 ZINC000356389179 373843146 /nfs/dbraw/zinc/84/31/46/373843146.db2.gz HVOIJFZGMAZGQF-VXGBXAGGSA-N 1 2 286.253 1.114 20 30 CDEDLO N#Cc1ccc(CNC(=O)C[NH+]2CCSCC2)cc1 ZINC000299420177 373906494 /nfs/dbraw/zinc/90/64/94/373906494.db2.gz NFJPRBSFDIGTSC-UHFFFAOYSA-N 1 2 275.377 1.223 20 30 CDEDLO Cn1c[nH+]cc1CNc1ccn(-c2cccc(F)c2C#N)n1 ZINC000357694271 373928020 /nfs/dbraw/zinc/92/80/20/373928020.db2.gz HQHDVIZFJABWRQ-UHFFFAOYSA-N 1 2 296.309 1.651 20 30 CDEDLO COCCc1noc(C[N@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000103466584 373979762 /nfs/dbraw/zinc/97/97/62/373979762.db2.gz QAKLOGVFNUHVIB-UHFFFAOYSA-N 1 2 286.335 1.762 20 30 CDEDLO COCCc1noc(C[N@@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000103466584 373979770 /nfs/dbraw/zinc/97/97/70/373979770.db2.gz QAKLOGVFNUHVIB-UHFFFAOYSA-N 1 2 286.335 1.762 20 30 CDEDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000361371049 374039991 /nfs/dbraw/zinc/03/99/91/374039991.db2.gz DOBGSKQTPIQZRE-GFCCVEGCSA-N 1 2 293.754 1.871 20 30 CDEDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000361371049 374039999 /nfs/dbraw/zinc/03/99/99/374039999.db2.gz DOBGSKQTPIQZRE-GFCCVEGCSA-N 1 2 293.754 1.871 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000342259795 374061810 /nfs/dbraw/zinc/06/18/10/374061810.db2.gz HWRHCJCTDFNMKT-KFWWJZLASA-N 1 2 296.411 1.289 20 30 CDEDLO N#Cc1cccc(OCC[N@@H+]2CCc3nn[nH]c3C2)c1 ZINC000351608821 374263241 /nfs/dbraw/zinc/26/32/41/374263241.db2.gz OHNVXWKTMDPGQQ-UHFFFAOYSA-N 1 2 269.308 1.113 20 30 CDEDLO N#Cc1cccc(OCC[N@H+]2CCc3nn[nH]c3C2)c1 ZINC000351608821 374263248 /nfs/dbraw/zinc/26/32/48/374263248.db2.gz OHNVXWKTMDPGQQ-UHFFFAOYSA-N 1 2 269.308 1.113 20 30 CDEDLO COC(=O)c1cnoc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000352102667 374303731 /nfs/dbraw/zinc/30/37/31/374303731.db2.gz PVYLMPZKCZDGDC-UHFFFAOYSA-N 1 2 285.303 1.965 20 30 CDEDLO COC(=O)c1cnoc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000352102667 374303740 /nfs/dbraw/zinc/30/37/40/374303740.db2.gz PVYLMPZKCZDGDC-UHFFFAOYSA-N 1 2 285.303 1.965 20 30 CDEDLO Cn1c[nH+]c2c1CCN(Cc1ccc(C#N)cc1F)C2 ZINC000368691122 374324101 /nfs/dbraw/zinc/32/41/01/374324101.db2.gz ZWQQTSYZSKFHCG-UHFFFAOYSA-N 1 2 270.311 1.989 20 30 CDEDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1ccccc1C#N)CC2 ZINC000078621104 374329328 /nfs/dbraw/zinc/32/93/28/374329328.db2.gz GBDKZDDOHDFHOI-UHFFFAOYSA-N 1 2 280.331 1.210 20 30 CDEDLO Cn1nc2c(cc1=O)C[N@H+](Cc1ccccc1C#N)CC2 ZINC000078621104 374329333 /nfs/dbraw/zinc/32/93/33/374329333.db2.gz GBDKZDDOHDFHOI-UHFFFAOYSA-N 1 2 280.331 1.210 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1 ZINC000369052139 374345375 /nfs/dbraw/zinc/34/53/75/374345375.db2.gz SPWIIRPVAZPZBW-OAHLLOKOSA-N 1 2 289.310 1.772 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1 ZINC000369052139 374345379 /nfs/dbraw/zinc/34/53/79/374345379.db2.gz SPWIIRPVAZPZBW-OAHLLOKOSA-N 1 2 289.310 1.772 20 30 CDEDLO C[N@H+](Cc1ccccc1C#N)[C@H]1CCCCNC1=O ZINC000368894631 374336936 /nfs/dbraw/zinc/33/69/36/374336936.db2.gz WRTRWJMYXCOWBZ-AWEZNQCLSA-N 1 2 257.337 1.659 20 30 CDEDLO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCCCNC1=O ZINC000368894631 374336943 /nfs/dbraw/zinc/33/69/43/374336943.db2.gz WRTRWJMYXCOWBZ-AWEZNQCLSA-N 1 2 257.337 1.659 20 30 CDEDLO Cn1cc(CN2CC[NH+](Cc3ccco3)CC2)cc1C#N ZINC000276731680 374745202 /nfs/dbraw/zinc/74/52/02/374745202.db2.gz HGJATDZACNVJKG-UHFFFAOYSA-N 1 2 284.363 1.808 20 30 CDEDLO Cn1cc(C[NH+]2CCN(Cc3ccco3)CC2)cc1C#N ZINC000276731680 374745207 /nfs/dbraw/zinc/74/52/07/374745207.db2.gz HGJATDZACNVJKG-UHFFFAOYSA-N 1 2 284.363 1.808 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)CC[S@@]1=O ZINC000277449620 374787594 /nfs/dbraw/zinc/78/75/94/374787594.db2.gz JVFCXTRSXZDJKA-ZMZPIMSZSA-N 1 2 265.382 1.240 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)CC[S@@]1=O ZINC000277449620 374787598 /nfs/dbraw/zinc/78/75/98/374787598.db2.gz JVFCXTRSXZDJKA-ZMZPIMSZSA-N 1 2 265.382 1.240 20 30 CDEDLO C[C@@H](C(=O)N(C)c1cccc(C#N)c1)[NH+]1CCSCC1 ZINC000125081846 374921528 /nfs/dbraw/zinc/92/15/28/374921528.db2.gz FJTVOKMXYQOMJY-LBPRGKRZSA-N 1 2 289.404 1.958 20 30 CDEDLO Cc1cc(C#N)nc(N2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000280821339 375026135 /nfs/dbraw/zinc/02/61/35/375026135.db2.gz DXPCJMRBQOUDOI-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO Cc1nsc(NC[C@H](C)[NH+]2CCOCC2)c1C#N ZINC000283514844 375116419 /nfs/dbraw/zinc/11/64/19/375116419.db2.gz JWGLOWFLOQAQCJ-VIFPVBQESA-N 1 2 266.370 1.456 20 30 CDEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@](C)(O)C2)c(C#N)c1C ZINC000226812030 375401488 /nfs/dbraw/zinc/40/14/88/375401488.db2.gz KIGIWNZBTHPXNI-CQSZACIVSA-N 1 2 293.392 1.632 20 30 CDEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@](C)(O)C2)c(C#N)c1C ZINC000226812030 375401496 /nfs/dbraw/zinc/40/14/96/375401496.db2.gz KIGIWNZBTHPXNI-CQSZACIVSA-N 1 2 293.392 1.632 20 30 CDEDLO N#Cc1cc(NCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000131754072 375337897 /nfs/dbraw/zinc/33/78/97/375337897.db2.gz JZQWEJRSLIUACE-UHFFFAOYSA-N 1 2 257.253 1.775 20 30 CDEDLO CC(C)[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000031294930 375773465 /nfs/dbraw/zinc/77/34/65/375773465.db2.gz RYTUDGWWYOIIOJ-UHFFFAOYSA-N 1 2 293.392 1.273 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1CCCOC1)CCC2 ZINC000328638772 375904101 /nfs/dbraw/zinc/90/41/01/375904101.db2.gz BSMVEOKHHMGUSB-QWHCGFSZSA-N 1 2 292.383 1.752 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)COc2ccsc2)C1 ZINC000328649229 375908027 /nfs/dbraw/zinc/90/80/27/375908027.db2.gz IPNZHHUSQAFYRQ-NSHDSACASA-N 1 2 270.354 1.414 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNC(=O)COc2ccsc2)C1 ZINC000328649229 375908033 /nfs/dbraw/zinc/90/80/33/375908033.db2.gz IPNZHHUSQAFYRQ-NSHDSACASA-N 1 2 270.354 1.414 20 30 CDEDLO COC[C@@H]1CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000328805944 375960454 /nfs/dbraw/zinc/96/04/54/375960454.db2.gz NHVRLVGRWJCFRW-CHWSQXEVSA-N 1 2 292.383 1.643 20 30 CDEDLO O=C(CCC(=O)N1CCn2cc[nH+]c2C1)NC1CCCC1 ZINC000328779795 375968394 /nfs/dbraw/zinc/96/83/94/375968394.db2.gz MFJGPQMRCLYICR-UHFFFAOYSA-N 1 2 290.367 1.905 20 30 CDEDLO CCC[N@H+](CC(N)=O)Cc1ccc(C#N)cc1OC(F)F ZINC000429167801 247429894 /nfs/dbraw/zinc/42/98/94/247429894.db2.gz YVHXRYBRXJXRDM-UHFFFAOYSA-N 1 2 297.305 1.857 20 30 CDEDLO CCC[N@@H+](CC(N)=O)Cc1ccc(C#N)cc1OC(F)F ZINC000429167801 247429895 /nfs/dbraw/zinc/42/98/95/247429895.db2.gz YVHXRYBRXJXRDM-UHFFFAOYSA-N 1 2 297.305 1.857 20 30 CDEDLO CN(CC[NH+]1CCOCC1)c1cccc(Cl)c1C#N ZINC000295406433 376005514 /nfs/dbraw/zinc/00/55/14/376005514.db2.gz CUHMLQQKIHHHLZ-UHFFFAOYSA-N 1 2 279.771 1.980 20 30 CDEDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)s1 ZINC000435426347 248168707 /nfs/dbraw/zinc/16/87/07/248168707.db2.gz HNISNEPVBDQAEZ-UWVGGRQHSA-N 1 2 299.421 1.333 20 30 CDEDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)s1 ZINC000435426347 248168712 /nfs/dbraw/zinc/16/87/12/248168712.db2.gz HNISNEPVBDQAEZ-UWVGGRQHSA-N 1 2 299.421 1.333 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N[C@@H](C)c1ccccc1 ZINC000076185948 377466723 /nfs/dbraw/zinc/46/67/23/377466723.db2.gz UWJHNOJWHLOOTM-AWEZNQCLSA-N 1 2 254.333 1.432 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N(C)CCC#N ZINC000249855983 377481517 /nfs/dbraw/zinc/48/15/17/377481517.db2.gz DEGAZUKKAGLOOG-VXGBXAGGSA-N 1 2 250.346 1.229 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N(C)CCC#N ZINC000249855983 377481526 /nfs/dbraw/zinc/48/15/26/377481526.db2.gz DEGAZUKKAGLOOG-VXGBXAGGSA-N 1 2 250.346 1.229 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)c1 ZINC000190096502 377531192 /nfs/dbraw/zinc/53/11/92/377531192.db2.gz IJUYEBNHVAUBNZ-CYBMUJFWSA-N 1 2 274.364 1.914 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2CCN(C)C(=O)[C@H]2C)c1 ZINC000190096502 377531196 /nfs/dbraw/zinc/53/11/96/377531196.db2.gz IJUYEBNHVAUBNZ-CYBMUJFWSA-N 1 2 274.364 1.914 20 30 CDEDLO CSc1ccccc1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000571885734 377579693 /nfs/dbraw/zinc/57/96/93/377579693.db2.gz ZLVRWSJWQJEMSH-HNNXBMFYSA-N 1 2 291.420 1.911 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@H](CCC)C1 ZINC000131287700 377655849 /nfs/dbraw/zinc/65/58/49/377655849.db2.gz PGABYAURLSSUCD-CQSZACIVSA-N 1 2 266.385 1.688 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@H](CCC)C1 ZINC000131287700 377655854 /nfs/dbraw/zinc/65/58/54/377655854.db2.gz PGABYAURLSSUCD-CQSZACIVSA-N 1 2 266.385 1.688 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1CCO[C@H](COC)C1 ZINC000093529087 378084030 /nfs/dbraw/zinc/08/40/30/378084030.db2.gz FIXCOSFWSFHISD-HNNXBMFYSA-N 1 2 275.348 1.546 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1CCO[C@H](COC)C1 ZINC000093529087 378084036 /nfs/dbraw/zinc/08/40/36/378084036.db2.gz FIXCOSFWSFHISD-HNNXBMFYSA-N 1 2 275.348 1.546 20 30 CDEDLO C=CC[N@H+](C)CCS(=O)(=O)c1ccc(F)cc1 ZINC000192794713 378235889 /nfs/dbraw/zinc/23/58/89/378235889.db2.gz HURWKQAIIIYWDW-UHFFFAOYSA-N 1 2 257.330 1.717 20 30 CDEDLO C=CC[N@@H+](C)CCS(=O)(=O)c1ccc(F)cc1 ZINC000192794713 378235890 /nfs/dbraw/zinc/23/58/90/378235890.db2.gz HURWKQAIIIYWDW-UHFFFAOYSA-N 1 2 257.330 1.717 20 30 CDEDLO C#C[C@H](NC(=O)NCc1c[nH+]ccc1OC)C(C)(C)C ZINC000293295266 378554070 /nfs/dbraw/zinc/55/40/70/378554070.db2.gz IARJWYLPJFHNBJ-ZDUSSCGKSA-N 1 2 275.352 1.937 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000294466858 378634534 /nfs/dbraw/zinc/63/45/34/378634534.db2.gz UPEKGQZQNSGGPT-UHFFFAOYSA-N 1 2 259.353 1.942 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000278833201 194175643 /nfs/dbraw/zinc/17/56/43/194175643.db2.gz JWDDGQIPNWXQEL-HNNXBMFYSA-N 1 2 273.336 1.586 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1nc(COc2ccc(F)cc2)no1 ZINC000662167652 412915317 /nfs/dbraw/zinc/91/53/17/412915317.db2.gz LBNOVHUDYSWJAE-LLVKDONJSA-N 1 2 293.298 1.424 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000279254510 194353145 /nfs/dbraw/zinc/35/31/45/194353145.db2.gz SFJVEJPZWBGPRK-INIZCTEOSA-N 1 2 289.379 1.053 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1ccc(C#N)cc1 ZINC000491318729 253075359 /nfs/dbraw/zinc/07/53/59/253075359.db2.gz GLBXJWOFBOXARJ-KTRBRXNASA-N 1 2 280.331 1.973 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(O)cc(F)c2)C1=O ZINC000281313477 195192296 /nfs/dbraw/zinc/19/22/96/195192296.db2.gz QQBBFRSJAXEEQU-AWEZNQCLSA-N 1 2 278.327 1.750 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(O)cc(F)c2)C1=O ZINC000281313477 195192298 /nfs/dbraw/zinc/19/22/98/195192298.db2.gz QQBBFRSJAXEEQU-AWEZNQCLSA-N 1 2 278.327 1.750 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000281466883 195252546 /nfs/dbraw/zinc/25/25/46/195252546.db2.gz PFSOBBRGUXNPAL-TZMCWYRMSA-N 1 2 263.341 1.371 20 30 CDEDLO N#CCC[N@H+](CC1CC1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000363481442 390482360 /nfs/dbraw/zinc/48/23/60/390482360.db2.gz SAEXJSIDCNKCTM-HNNXBMFYSA-N 1 2 291.395 1.392 20 30 CDEDLO N#CCC[N@@H+](CC1CC1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000363481442 390482362 /nfs/dbraw/zinc/48/23/62/390482362.db2.gz SAEXJSIDCNKCTM-HNNXBMFYSA-N 1 2 291.395 1.392 20 30 CDEDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCC(=O)N1CCCC1 ZINC000106067379 390530503 /nfs/dbraw/zinc/53/05/03/390530503.db2.gz OVMYEFAFIXJSPD-UHFFFAOYSA-N 1 2 295.770 1.794 20 30 CDEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](O)C1 ZINC000114723472 390809626 /nfs/dbraw/zinc/80/96/26/390809626.db2.gz SIGKDDMVXLCOQN-LLVKDONJSA-N 1 2 291.376 1.307 20 30 CDEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC000114723472 390809629 /nfs/dbraw/zinc/80/96/29/390809629.db2.gz SIGKDDMVXLCOQN-LLVKDONJSA-N 1 2 291.376 1.307 20 30 CDEDLO Cc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)CCO)cc1F ZINC000136065506 390940935 /nfs/dbraw/zinc/94/09/35/390940935.db2.gz MHQYUUSJGSYOAQ-SECBINFHSA-N 1 2 283.303 1.132 20 30 CDEDLO Cc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)CCO)c(F)c1 ZINC000121326286 390883368 /nfs/dbraw/zinc/88/33/68/390883368.db2.gz KLLLUQNZLZQNPJ-SECBINFHSA-N 1 2 283.303 1.132 20 30 CDEDLO CCN(C(=O)[C@H](C)O[NH+]=C(N)CCO)c1ccccc1 ZINC000121393949 390885298 /nfs/dbraw/zinc/88/52/98/390885298.db2.gz OORQQPMSMYDVRA-NSHDSACASA-N 1 2 279.340 1.099 20 30 CDEDLO CC[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccccn1 ZINC000125392453 390918216 /nfs/dbraw/zinc/91/82/16/390918216.db2.gz MSXATQDRJGZTAN-UHFFFAOYSA-N 1 2 299.378 1.559 20 30 CDEDLO CC[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccccn1 ZINC000125392453 390918218 /nfs/dbraw/zinc/91/82/18/390918218.db2.gz MSXATQDRJGZTAN-UHFFFAOYSA-N 1 2 299.378 1.559 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCO[C@H](C)C1 ZINC000246379450 390925618 /nfs/dbraw/zinc/92/56/18/390925618.db2.gz IBLWAUAXDHLBDP-IUODEOHRSA-N 1 2 288.347 1.883 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCCO[C@H](C)C1 ZINC000246379450 390925619 /nfs/dbraw/zinc/92/56/19/390925619.db2.gz IBLWAUAXDHLBDP-IUODEOHRSA-N 1 2 288.347 1.883 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cncnc1)CCC2 ZINC000329514850 391002639 /nfs/dbraw/zinc/00/26/39/391002639.db2.gz MBRWWLOTSGKWTG-NSHDSACASA-N 1 2 271.324 1.864 20 30 CDEDLO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CCO1 ZINC000329546972 391011461 /nfs/dbraw/zinc/01/14/61/391011461.db2.gz HHQOGTKOBHTUBR-GHMZBOCLSA-N 1 2 278.356 1.292 20 30 CDEDLO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CCO1 ZINC000329546972 391011463 /nfs/dbraw/zinc/01/14/63/391011463.db2.gz HHQOGTKOBHTUBR-GHMZBOCLSA-N 1 2 278.356 1.292 20 30 CDEDLO C[C@H](CNC(=O)[C@@H]1C[C@]12CCOC2)[NH+]1CCOCC1 ZINC000329622521 391041683 /nfs/dbraw/zinc/04/16/83/391041683.db2.gz RTJLMUWEXPWSCQ-DYEKYZERSA-N 1 2 268.357 1.090 20 30 CDEDLO Cc1noc(C2CC2)c1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000329647071 391063548 /nfs/dbraw/zinc/06/35/48/391063548.db2.gz BFNROFHYWDPECT-SNVBAGLBSA-N 1 2 265.313 1.779 20 30 CDEDLO Cc1noc(C2CC2)c1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000329647071 391063552 /nfs/dbraw/zinc/06/35/52/391063552.db2.gz BFNROFHYWDPECT-SNVBAGLBSA-N 1 2 265.313 1.779 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@H](c2ccccn2)CC1=O ZINC000491417872 391119609 /nfs/dbraw/zinc/11/96/09/391119609.db2.gz OZDBGVCMASOQBI-CHWSQXEVSA-N 1 2 257.337 1.309 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@H](c2ccccn2)CC1=O ZINC000491417872 391119614 /nfs/dbraw/zinc/11/96/14/391119614.db2.gz OZDBGVCMASOQBI-CHWSQXEVSA-N 1 2 257.337 1.309 20 30 CDEDLO C=CCN1CC[C@@H]([NH+]2CCC(F)(C#N)CC2)C1=O ZINC000352469131 391149486 /nfs/dbraw/zinc/14/94/86/391149486.db2.gz WKZNBRFJBYUYKC-LLVKDONJSA-N 1 2 251.305 1.101 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](O)COc1ccc(C)cc1C ZINC000491475240 391141934 /nfs/dbraw/zinc/14/19/34/391141934.db2.gz VAOANTUNRZZELF-CVEARBPZSA-N 1 2 289.375 1.377 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](O)COc1ccc(C)cc1C ZINC000491475240 391141938 /nfs/dbraw/zinc/14/19/38/391141938.db2.gz VAOANTUNRZZELF-CVEARBPZSA-N 1 2 289.375 1.377 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)C1=O ZINC000374102789 391147014 /nfs/dbraw/zinc/14/70/14/391147014.db2.gz VNAKIIHYVZCBFP-TZMCWYRMSA-N 1 2 274.368 1.376 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](c3ccn[nH]3)C2)C1=O ZINC000374102789 391147018 /nfs/dbraw/zinc/14/70/18/391147018.db2.gz VNAKIIHYVZCBFP-TZMCWYRMSA-N 1 2 274.368 1.376 20 30 CDEDLO C=CCC(CC=C)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000345371415 391160923 /nfs/dbraw/zinc/16/09/23/391160923.db2.gz ANAPJGVOBXIRJF-CQSZACIVSA-N 1 2 280.412 1.934 20 30 CDEDLO CCN(CC)C(=O)CO[NH+]=C(N)c1ccc(C)c(F)c1 ZINC000177558463 391171389 /nfs/dbraw/zinc/17/13/89/391171389.db2.gz GWHJGMCNKBIXJF-UHFFFAOYSA-N 1 2 281.331 1.639 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)C(=O)Nc1cccc(C#N)c1 ZINC000274136226 533509083 /nfs/dbraw/zinc/50/90/83/533509083.db2.gz YXXOIBDGJOVYBO-WDEREUQCSA-N 1 2 298.350 1.365 20 30 CDEDLO N#CCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)CC1CC1 ZINC000266896934 391182624 /nfs/dbraw/zinc/18/26/24/391182624.db2.gz FJYAMBFYAYAKLE-UHFFFAOYSA-N 1 2 296.374 1.800 20 30 CDEDLO N#CCC[N@H+](CC(=O)NCc1ccc(C#N)cc1)CC1CC1 ZINC000266896934 391182632 /nfs/dbraw/zinc/18/26/32/391182632.db2.gz FJYAMBFYAYAKLE-UHFFFAOYSA-N 1 2 296.374 1.800 20 30 CDEDLO C[C@@H](C#N)N(C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000436727577 391218334 /nfs/dbraw/zinc/21/83/34/391218334.db2.gz ZZZJHRGEHLTQRW-ZFWWWQNUSA-N 1 2 287.363 1.258 20 30 CDEDLO C[C@@H](C#N)N(C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000436727577 391218338 /nfs/dbraw/zinc/21/83/38/391218338.db2.gz ZZZJHRGEHLTQRW-ZFWWWQNUSA-N 1 2 287.363 1.258 20 30 CDEDLO C=CCOCC[N@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000339005440 391238779 /nfs/dbraw/zinc/23/87/79/391238779.db2.gz QZAWIHGKJBMGDA-UHFFFAOYSA-N 1 2 292.354 1.673 20 30 CDEDLO C=CCOCC[N@@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000339005440 391238782 /nfs/dbraw/zinc/23/87/82/391238782.db2.gz QZAWIHGKJBMGDA-UHFFFAOYSA-N 1 2 292.354 1.673 20 30 CDEDLO N#C[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000269427737 391248885 /nfs/dbraw/zinc/24/88/85/391248885.db2.gz KODDSPVDGYMJHB-HNNXBMFYSA-N 1 2 268.320 1.597 20 30 CDEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000331831174 391214089 /nfs/dbraw/zinc/21/40/89/391214089.db2.gz JOBLSGZTIMGGPK-NJZAAPMLSA-N 1 2 279.384 1.294 20 30 CDEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000331831174 391214094 /nfs/dbraw/zinc/21/40/94/391214094.db2.gz JOBLSGZTIMGGPK-NJZAAPMLSA-N 1 2 279.384 1.294 20 30 CDEDLO C[C@H](C#N)S(=O)(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000416365363 391277877 /nfs/dbraw/zinc/27/78/77/391277877.db2.gz ATGVGSBLBZQZSM-MRVPVSSYSA-N 1 2 298.755 1.319 20 30 CDEDLO Cc1cccc2[nH+]c(CNC(=O)[C@]3(C#N)C[C@H]3C)cn21 ZINC000335154179 391333351 /nfs/dbraw/zinc/33/33/51/391333351.db2.gz GZUUUAFOPMKDKL-BMIGLBTASA-N 1 2 268.320 1.809 20 30 CDEDLO C=C(C)COCCNc1[nH+]cnc(-n2cccn2)c1N ZINC000301810138 391285306 /nfs/dbraw/zinc/28/53/06/391285306.db2.gz XLQCSMHXVQYHFM-UHFFFAOYSA-N 1 2 274.328 1.249 20 30 CDEDLO CCC[N@H+](CC#N)C[C@@H]1CCO[C@@H]1c1ccnn1C ZINC000343217416 391333980 /nfs/dbraw/zinc/33/39/80/391333980.db2.gz OCHGEFGICZUQPV-JSGCOSHPSA-N 1 2 262.357 1.733 20 30 CDEDLO CCC[N@@H+](CC#N)C[C@@H]1CCO[C@@H]1c1ccnn1C ZINC000343217416 391333984 /nfs/dbraw/zinc/33/39/84/391333984.db2.gz OCHGEFGICZUQPV-JSGCOSHPSA-N 1 2 262.357 1.733 20 30 CDEDLO N#Cc1c[nH]nc1NCc1[nH+]ccn1CC(F)(F)F ZINC000343207927 391306054 /nfs/dbraw/zinc/30/60/54/391306054.db2.gz BGYHRZSZWIIAFK-UHFFFAOYSA-N 1 2 270.218 1.074 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346443563 391356619 /nfs/dbraw/zinc/35/66/19/391356619.db2.gz ARCGOSJVXKIOLD-KGLIPLIRSA-N 1 2 293.411 1.106 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346443563 391356621 /nfs/dbraw/zinc/35/66/21/391356621.db2.gz ARCGOSJVXKIOLD-KGLIPLIRSA-N 1 2 293.411 1.106 20 30 CDEDLO CC(C)N1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1=O ZINC000328959172 391399072 /nfs/dbraw/zinc/39/90/72/391399072.db2.gz OWCRNVJCYBJRIO-NWDGAFQWSA-N 1 2 290.367 1.411 20 30 CDEDLO C=CCCC1(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000355612908 391460070 /nfs/dbraw/zinc/46/00/70/391460070.db2.gz XIXYATLTVVBBNB-UHFFFAOYSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CCCC1(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000355612908 391460071 /nfs/dbraw/zinc/46/00/71/391460071.db2.gz XIXYATLTVVBBNB-UHFFFAOYSA-N 1 2 280.412 1.960 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411617941 391489517 /nfs/dbraw/zinc/48/95/17/391489517.db2.gz MJMSASAZCITTGG-STQMWFEESA-N 1 2 280.368 1.459 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCC1(C#N)CCCCC1 ZINC000411617941 391489520 /nfs/dbraw/zinc/48/95/20/391489520.db2.gz MJMSASAZCITTGG-STQMWFEESA-N 1 2 280.368 1.459 20 30 CDEDLO CC[C@](C)(C#N)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000349614744 391567083 /nfs/dbraw/zinc/56/70/83/391567083.db2.gz SQRBVULBFLGTIZ-DZGCQCFKSA-N 1 2 281.400 1.399 20 30 CDEDLO C[C@H](C#N)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000359120929 391578119 /nfs/dbraw/zinc/57/81/19/391578119.db2.gz HSUYOKDNMNLNAD-LLVKDONJSA-N 1 2 254.293 1.648 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)C[C@H](C)O1 ZINC000439289713 391578925 /nfs/dbraw/zinc/57/89/25/391578925.db2.gz ONDBKZOVJSMIHA-FZMZJTMJSA-N 1 2 278.327 1.933 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)C[C@H](C)O1 ZINC000439289713 391578927 /nfs/dbraw/zinc/57/89/27/391578927.db2.gz ONDBKZOVJSMIHA-FZMZJTMJSA-N 1 2 278.327 1.933 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cc(C#N)cs2)nn1 ZINC000424176581 391647189 /nfs/dbraw/zinc/64/71/89/391647189.db2.gz YCCMZFQKNFZHLR-UHFFFAOYSA-N 1 2 259.338 1.687 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2C(=O)OCC)C1=O ZINC000282016062 391668836 /nfs/dbraw/zinc/66/88/36/391668836.db2.gz OVXJRIPVNFBMRM-OLZOCXBDSA-N 1 2 280.368 1.191 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2C(=O)OCC)C1=O ZINC000282016062 391668838 /nfs/dbraw/zinc/66/88/38/391668838.db2.gz OVXJRIPVNFBMRM-OLZOCXBDSA-N 1 2 280.368 1.191 20 30 CDEDLO CCO[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccccc1 ZINC000519645803 391680093 /nfs/dbraw/zinc/68/00/93/391680093.db2.gz GDCRWACOUVEZEG-GOEBONIOSA-N 1 2 289.379 1.724 20 30 CDEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000102823088 391748717 /nfs/dbraw/zinc/74/87/17/391748717.db2.gz WLEKIPMVYJDVJW-ZDUSSCGKSA-N 1 2 261.300 1.602 20 30 CDEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000102823088 391748721 /nfs/dbraw/zinc/74/87/21/391748721.db2.gz WLEKIPMVYJDVJW-ZDUSSCGKSA-N 1 2 261.300 1.602 20 30 CDEDLO C#CCNc1nc(N2CCCC2)nc(N2CCCC2)[nH+]1 ZINC000287013330 391731661 /nfs/dbraw/zinc/73/16/61/391731661.db2.gz PPKCMRVLNXKGJU-UHFFFAOYSA-N 1 2 272.356 1.117 20 30 CDEDLO C#CCNc1nc(N2CCCC2)[nH+]c(N2CCCC2)n1 ZINC000287013330 391731664 /nfs/dbraw/zinc/73/16/64/391731664.db2.gz PPKCMRVLNXKGJU-UHFFFAOYSA-N 1 2 272.356 1.117 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CCC[C@H](O)[C@@H]2C(=O)OC)cc1 ZINC000289589523 391757829 /nfs/dbraw/zinc/75/78/29/391757829.db2.gz IKDLYRWXEJGNPB-LSDHHAIUSA-N 1 2 273.332 1.166 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CCC[C@H](O)[C@@H]2C(=O)OC)cc1 ZINC000289589523 391757833 /nfs/dbraw/zinc/75/78/33/391757833.db2.gz IKDLYRWXEJGNPB-LSDHHAIUSA-N 1 2 273.332 1.166 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC(C)(C)O1 ZINC000329742963 391768765 /nfs/dbraw/zinc/76/87/65/391768765.db2.gz WXPLQWVFVZPLJK-MNOVXSKESA-N 1 2 292.383 1.680 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC(C)(C)O1 ZINC000329742963 391768770 /nfs/dbraw/zinc/76/87/70/391768770.db2.gz WXPLQWVFVZPLJK-MNOVXSKESA-N 1 2 292.383 1.680 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)C1CCC(=O)CC1 ZINC000329918599 391799457 /nfs/dbraw/zinc/79/94/57/391799457.db2.gz ZWNYRJSHJAIBEH-UHFFFAOYSA-N 1 2 282.384 1.813 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)C1CCC(=O)CC1 ZINC000329918599 391799461 /nfs/dbraw/zinc/79/94/61/391799461.db2.gz ZWNYRJSHJAIBEH-UHFFFAOYSA-N 1 2 282.384 1.813 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCc1ccc(OCCC)cc1 ZINC000192228360 130397796 /nfs/dbraw/zinc/39/77/96/130397796.db2.gz QXBIDBJADUCBFY-UHFFFAOYSA-N 1 2 274.364 1.657 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCc1ccc(OCCC)cc1 ZINC000192228360 130397799 /nfs/dbraw/zinc/39/77/99/130397799.db2.gz QXBIDBJADUCBFY-UHFFFAOYSA-N 1 2 274.364 1.657 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCCCN(C)c1ccccc1 ZINC000192233228 130398648 /nfs/dbraw/zinc/39/86/48/130398648.db2.gz SFOQGLBNGKQKMI-UHFFFAOYSA-N 1 2 273.380 1.194 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCCCN(C)c1ccccc1 ZINC000192233228 130398650 /nfs/dbraw/zinc/39/86/50/130398650.db2.gz SFOQGLBNGKQKMI-UHFFFAOYSA-N 1 2 273.380 1.194 20 30 CDEDLO CC(C)(C#N)CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000354344850 391918327 /nfs/dbraw/zinc/91/83/27/391918327.db2.gz KJSVLSBENRWOMU-UHFFFAOYSA-N 1 2 271.324 1.683 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)CC[S@]1=O ZINC000334248359 392041939 /nfs/dbraw/zinc/04/19/39/392041939.db2.gz PKLTVCWXEBIBHT-KZULUSFZSA-N 1 2 262.378 1.705 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CC[S@]1=O ZINC000334248359 392041946 /nfs/dbraw/zinc/04/19/46/392041946.db2.gz PKLTVCWXEBIBHT-KZULUSFZSA-N 1 2 262.378 1.705 20 30 CDEDLO CC#CCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000342814324 392045277 /nfs/dbraw/zinc/04/52/77/392045277.db2.gz HLMQFXVVQGKLMU-UHFFFAOYSA-N 1 2 253.305 1.685 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000334297017 392064211 /nfs/dbraw/zinc/06/42/11/392064211.db2.gz CQTHIGAPRQQBNF-WBMJQRKESA-N 1 2 267.332 1.908 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000334297017 392064217 /nfs/dbraw/zinc/06/42/17/392064217.db2.gz CQTHIGAPRQQBNF-WBMJQRKESA-N 1 2 267.332 1.908 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000267231587 392095839 /nfs/dbraw/zinc/09/58/39/392095839.db2.gz COHHFWZSONINJQ-UHFFFAOYSA-N 1 2 299.418 1.286 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000267231587 392095843 /nfs/dbraw/zinc/09/58/43/392095843.db2.gz COHHFWZSONINJQ-UHFFFAOYSA-N 1 2 299.418 1.286 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCOC3(CCC3)C2)C1=O ZINC000334414385 392128625 /nfs/dbraw/zinc/12/86/25/392128625.db2.gz MLSLLOQHKCUISN-LBPRGKRZSA-N 1 2 250.342 1.028 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCOC3(CCC3)C2)C1=O ZINC000334414385 392128631 /nfs/dbraw/zinc/12/86/31/392128631.db2.gz MLSLLOQHKCUISN-LBPRGKRZSA-N 1 2 250.342 1.028 20 30 CDEDLO C=CCCOCC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000648711009 392375176 /nfs/dbraw/zinc/37/51/76/392375176.db2.gz PLKAQQZPGDJPAO-UHFFFAOYSA-N 1 2 287.363 1.894 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1nc(CC)c(C)s1 ZINC000491668457 392566494 /nfs/dbraw/zinc/56/64/94/392566494.db2.gz WDQKBUVNCUPQEF-SECBINFHSA-N 1 2 265.382 1.906 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1nc(CC)c(C)s1 ZINC000491668457 392566497 /nfs/dbraw/zinc/56/64/97/392566497.db2.gz WDQKBUVNCUPQEF-SECBINFHSA-N 1 2 265.382 1.906 20 30 CDEDLO Cc1ccc(C#N)cc1NC(=O)Cc1c[nH+]cn1C ZINC000527013433 392972047 /nfs/dbraw/zinc/97/20/47/392972047.db2.gz UGXAWMJUQSYYOV-UHFFFAOYSA-N 1 2 254.293 1.781 20 30 CDEDLO Cc1cc(N2CC[NH+](Cc3ccncc3)CC2)c(C#N)cn1 ZINC000425199131 392992243 /nfs/dbraw/zinc/99/22/43/392992243.db2.gz GSODKWONJRPPRU-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO Cc1cc(N[C@@H]2CCN(CC(F)F)C2)c(C#N)c[nH+]1 ZINC000425270050 393012203 /nfs/dbraw/zinc/01/22/03/393012203.db2.gz SIPKNKGYDMGZNN-LLVKDONJSA-N 1 2 266.295 1.435 20 30 CDEDLO CCCC1(C(=O)N=c2[nH][nH]c(CCC[NH2+]C)c2C#N)CC1 ZINC000534056468 393091671 /nfs/dbraw/zinc/09/16/71/393091671.db2.gz YHCOUCJUGYURAQ-UHFFFAOYSA-N 1 2 289.383 1.374 20 30 CDEDLO N#Cc1ccc(N2CC(n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000531832748 393064445 /nfs/dbraw/zinc/06/44/45/393064445.db2.gz BZHNLZHYHDIGSZ-UHFFFAOYSA-N 1 2 269.264 1.724 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274949821 393113618 /nfs/dbraw/zinc/11/36/18/393113618.db2.gz GWBMLHPXSKNMNI-UHFFFAOYSA-N 1 2 266.304 1.200 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274949821 393113620 /nfs/dbraw/zinc/11/36/20/393113620.db2.gz GWBMLHPXSKNMNI-UHFFFAOYSA-N 1 2 266.304 1.200 20 30 CDEDLO CCOC(=O)C[N@H+](CC)CCOc1cccc(C#N)c1 ZINC000195202639 393115683 /nfs/dbraw/zinc/11/56/83/393115683.db2.gz ILKGZRMJNQFWIK-UHFFFAOYSA-N 1 2 276.336 1.822 20 30 CDEDLO CCOC(=O)C[N@@H+](CC)CCOc1cccc(C#N)c1 ZINC000195202639 393115691 /nfs/dbraw/zinc/11/56/91/393115691.db2.gz ILKGZRMJNQFWIK-UHFFFAOYSA-N 1 2 276.336 1.822 20 30 CDEDLO C=CCn1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)nn1 ZINC000648765422 393301380 /nfs/dbraw/zinc/30/13/80/393301380.db2.gz GZVQPJAXIMTMIN-LLVKDONJSA-N 1 2 286.339 1.207 20 30 CDEDLO CC1(C)C[N@H+](CCNC(=O)C2(C#N)CCCC2)CCO1 ZINC000170629292 393436991 /nfs/dbraw/zinc/43/69/91/393436991.db2.gz DGICKWZNUMEVOJ-UHFFFAOYSA-N 1 2 279.384 1.297 20 30 CDEDLO CC1(C)C[N@@H+](CCNC(=O)C2(C#N)CCCC2)CCO1 ZINC000170629292 393436996 /nfs/dbraw/zinc/43/69/96/393436996.db2.gz DGICKWZNUMEVOJ-UHFFFAOYSA-N 1 2 279.384 1.297 20 30 CDEDLO N#Cc1ccncc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000271279452 135093732 /nfs/dbraw/zinc/09/37/32/135093732.db2.gz NSYQPKKXCUDVNB-UHFFFAOYSA-N 1 2 295.346 1.797 20 30 CDEDLO C[N@H+](Cc1ccc(F)cc1C#N)[C@@H]1CCCCNC1=O ZINC000105610922 147223603 /nfs/dbraw/zinc/22/36/03/147223603.db2.gz QPFOOZLVARPFLV-CQSZACIVSA-N 1 2 275.327 1.798 20 30 CDEDLO C[N@@H+](Cc1ccc(F)cc1C#N)[C@@H]1CCCCNC1=O ZINC000105610922 147223607 /nfs/dbraw/zinc/22/36/07/147223607.db2.gz QPFOOZLVARPFLV-CQSZACIVSA-N 1 2 275.327 1.798 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000305720429 149144984 /nfs/dbraw/zinc/14/49/84/149144984.db2.gz JNCBXCLQKMSJCT-BXUZGUMPSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000305720429 149144986 /nfs/dbraw/zinc/14/49/86/149144986.db2.gz JNCBXCLQKMSJCT-BXUZGUMPSA-N 1 2 276.336 1.148 20 30 CDEDLO N#Cc1ccc(C(=O)Nc2c[nH+]c3n2CCCC3)o1 ZINC000336304987 151437539 /nfs/dbraw/zinc/43/75/39/151437539.db2.gz ZEIJPGCKOWIXOY-UHFFFAOYSA-N 1 2 256.265 1.936 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000335850711 289341622 /nfs/dbraw/zinc/34/16/22/289341622.db2.gz CEBXFBFTOFWPMY-ZYHUDNBSSA-N 1 2 253.321 1.371 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@](C)(F)C1 ZINC000335850711 289341623 /nfs/dbraw/zinc/34/16/23/289341623.db2.gz CEBXFBFTOFWPMY-ZYHUDNBSSA-N 1 2 253.321 1.371 20 30 CDEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCc1c[nH+]cn1C ZINC000349782075 154216674 /nfs/dbraw/zinc/21/66/74/154216674.db2.gz IIJYSBBVIDBUHB-UHFFFAOYSA-N 1 2 290.348 1.079 20 30 CDEDLO COc1cc(C)[nH+]c(Cn2ccc(C)c(C#N)c2=O)c1 ZINC000352333629 155100361 /nfs/dbraw/zinc/10/03/61/155100361.db2.gz UTURSYZZSWWMMW-UHFFFAOYSA-N 1 2 269.304 1.789 20 30 CDEDLO Cc1[nH]c2ccc(NC(=O)c3cnn(C)c3C#N)cc2[nH+]1 ZINC000353856716 156125631 /nfs/dbraw/zinc/12/56/31/156125631.db2.gz JHFUTTWVCKGIOF-UHFFFAOYSA-N 1 2 280.291 1.729 20 30 CDEDLO Cc1[nH]c2cc(NC(=O)c3cnn(C)c3C#N)ccc2[nH+]1 ZINC000353856716 156125635 /nfs/dbraw/zinc/12/56/35/156125635.db2.gz JHFUTTWVCKGIOF-UHFFFAOYSA-N 1 2 280.291 1.729 20 30 CDEDLO CCn1nccc1C[N@H+](CCO)Cc1cc(C#N)n(C)c1 ZINC000355498511 157084213 /nfs/dbraw/zinc/08/42/13/157084213.db2.gz NSTNCAXEUNEFIB-UHFFFAOYSA-N 1 2 287.367 1.108 20 30 CDEDLO CCn1nccc1C[N@@H+](CCO)Cc1cc(C#N)n(C)c1 ZINC000355498511 157084219 /nfs/dbraw/zinc/08/42/19/157084219.db2.gz NSTNCAXEUNEFIB-UHFFFAOYSA-N 1 2 287.367 1.108 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1c1nc(C)no1 ZINC000285756075 196388806 /nfs/dbraw/zinc/38/88/06/196388806.db2.gz RXMKIXXLDUVURZ-ZDUSSCGKSA-N 1 2 290.367 1.716 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1c1nc(C)no1 ZINC000285756075 196388807 /nfs/dbraw/zinc/38/88/07/196388807.db2.gz RXMKIXXLDUVURZ-ZDUSSCGKSA-N 1 2 290.367 1.716 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2cnn3ccccc23)nn1 ZINC000657465265 414361817 /nfs/dbraw/zinc/36/18/17/414361817.db2.gz XYZSJWQVTKUBIM-UHFFFAOYSA-N 1 2 282.351 1.792 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@H](C)c1nnc(-c2cccs2)o1 ZINC000662167339 414546326 /nfs/dbraw/zinc/54/63/26/414546326.db2.gz ANCFRBIYVJHCIS-RKDXNWHRSA-N 1 2 265.338 1.996 20 30 CDEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)NC(=O)NC1CC1 ZINC000072692842 176423906 /nfs/dbraw/zinc/42/39/06/176423906.db2.gz ZSVOWTMLGBEMKS-UHFFFAOYSA-N 1 2 294.399 1.626 20 30 CDEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)NC(=O)NC1CC1 ZINC000072692842 176423908 /nfs/dbraw/zinc/42/39/08/176423908.db2.gz ZSVOWTMLGBEMKS-UHFFFAOYSA-N 1 2 294.399 1.626 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000336488037 227059752 /nfs/dbraw/zinc/05/97/52/227059752.db2.gz VFYJLUVVJCYBLR-NEPJUHHUSA-N 1 2 260.341 1.361 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000352686297 227161666 /nfs/dbraw/zinc/16/16/66/227161666.db2.gz NAYWLEUROGXIJR-GRYCIOLGSA-N 1 2 289.301 1.923 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000352686297 227161670 /nfs/dbraw/zinc/16/16/70/227161670.db2.gz NAYWLEUROGXIJR-GRYCIOLGSA-N 1 2 289.301 1.923 20 30 CDEDLO Cc1ncoc1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330000510 228012388 /nfs/dbraw/zinc/01/23/88/228012388.db2.gz WNUOBRDZKUHLHH-UHFFFAOYSA-N 1 2 267.329 1.398 20 30 CDEDLO Cc1ncoc1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330000510 228012390 /nfs/dbraw/zinc/01/23/90/228012390.db2.gz WNUOBRDZKUHLHH-UHFFFAOYSA-N 1 2 267.329 1.398 20 30 CDEDLO C[C@H]1C[C@@H](O)CCN1C([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000330296415 228105300 /nfs/dbraw/zinc/10/53/00/228105300.db2.gz KCMLAFPFLXECEX-XQQFMLRXSA-N 1 2 292.383 1.205 20 30 CDEDLO N#CC1(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)CC1 ZINC000330212201 228067828 /nfs/dbraw/zinc/06/78/28/228067828.db2.gz DLRRODOOOQPFFG-UHFFFAOYSA-N 1 2 271.368 1.713 20 30 CDEDLO N#CC1(NC(=O)Cc2cn3ccccc3[nH+]2)CCOCC1 ZINC000332282944 228154471 /nfs/dbraw/zinc/15/44/71/228154471.db2.gz CJDATEHNYNWVJL-UHFFFAOYSA-N 1 2 284.319 1.066 20 30 CDEDLO C[C@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000336232539 228218650 /nfs/dbraw/zinc/21/86/50/228218650.db2.gz NXFLFZNFBLDVNB-YOEHRIQHSA-N 1 2 283.375 1.881 20 30 CDEDLO C#CCN(CC#N)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000374067667 260140548 /nfs/dbraw/zinc/14/05/48/260140548.db2.gz HSJJRJNZPKFIOB-UHFFFAOYSA-N 1 2 251.293 1.226 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000220919904 260141184 /nfs/dbraw/zinc/14/11/84/260141184.db2.gz HXMYYNYZKJOEJQ-GXTWGEPZSA-N 1 2 273.336 1.532 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000220919904 260141186 /nfs/dbraw/zinc/14/11/86/260141186.db2.gz HXMYYNYZKJOEJQ-GXTWGEPZSA-N 1 2 273.336 1.532 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NCc1ccccc1OC ZINC000299292130 260180432 /nfs/dbraw/zinc/18/04/32/260180432.db2.gz NZGMIXFBYFCMFQ-AWEZNQCLSA-N 1 2 284.359 1.268 20 30 CDEDLO C[N@H+](CC(=O)Nc1nncs1)Cc1ccco1 ZINC000048554053 260200493 /nfs/dbraw/zinc/20/04/93/260200493.db2.gz SIMOVCCXRZYQFO-UHFFFAOYSA-N 1 2 252.299 1.851 20 30 CDEDLO C[N@@H+](CC(=O)Nc1nncs1)Cc1ccco1 ZINC000048554053 260200494 /nfs/dbraw/zinc/20/04/94/260200494.db2.gz SIMOVCCXRZYQFO-UHFFFAOYSA-N 1 2 252.299 1.851 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1CC[C@H](c2ccccc2)C1=O ZINC000491255296 261391548 /nfs/dbraw/zinc/39/15/48/261391548.db2.gz WPHAUWHNURPWFK-UKRRQHHQSA-N 1 2 256.349 1.914 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1CC[C@H](c2ccccc2)C1=O ZINC000491255296 261391550 /nfs/dbraw/zinc/39/15/50/261391550.db2.gz WPHAUWHNURPWFK-UKRRQHHQSA-N 1 2 256.349 1.914 20 30 CDEDLO CC#CCCO[NH+]=C(N)COc1cccc(F)c1 ZINC000186824932 262111016 /nfs/dbraw/zinc/11/10/16/262111016.db2.gz USJJJZMTFHRJII-UHFFFAOYSA-N 1 2 250.273 1.907 20 30 CDEDLO C=CC1CC[NH+](Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000111258402 262259069 /nfs/dbraw/zinc/25/90/69/262259069.db2.gz LAQAFXXGKYKAEE-UHFFFAOYSA-N 1 2 258.325 1.421 20 30 CDEDLO CC(C)[C@@H](C#N)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000264743197 262893810 /nfs/dbraw/zinc/89/38/10/262893810.db2.gz JYBNYULWXLWPIM-GFCCVEGCSA-N 1 2 256.309 1.541 20 30 CDEDLO N#CCCCNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000273144969 263013182 /nfs/dbraw/zinc/01/31/82/263013182.db2.gz WJPFOOJYRKGDQL-UHFFFAOYSA-N 1 2 287.367 1.213 20 30 CDEDLO Cc1c(-c2cc(C[N@@H+](C)C[C@@H](C)C#N)on2)cnn1C ZINC000274303597 263022843 /nfs/dbraw/zinc/02/28/43/263022843.db2.gz CSZPOKRCRZJPLH-JTQLQIEISA-N 1 2 273.340 1.975 20 30 CDEDLO Cc1c(-c2cc(C[N@H+](C)C[C@@H](C)C#N)on2)cnn1C ZINC000274303597 263022844 /nfs/dbraw/zinc/02/28/44/263022844.db2.gz CSZPOKRCRZJPLH-JTQLQIEISA-N 1 2 273.340 1.975 20 30 CDEDLO Cc1cc(C)cc(NC(=O)CO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000284000328 263085333 /nfs/dbraw/zinc/08/53/33/263085333.db2.gz HHAUPCZNEMMCNU-CYBMUJFWSA-N 1 2 291.351 1.710 20 30 CDEDLO COc1cccc(NC(=O)CO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000284383322 263086625 /nfs/dbraw/zinc/08/66/25/263086625.db2.gz MCYBEKIITGHEMR-GFCCVEGCSA-N 1 2 293.323 1.102 20 30 CDEDLO CCc1noc(C)c1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000284423119 263086840 /nfs/dbraw/zinc/08/68/40/263086840.db2.gz OIKZSJRWZUVVGY-LLVKDONJSA-N 1 2 253.302 1.513 20 30 CDEDLO CC(C)c1noc(CO[NH+]=C(N)[C@@H]2CCCO2)n1 ZINC000284479984 263087218 /nfs/dbraw/zinc/08/72/18/263087218.db2.gz RUFFOEMORJQWQD-QMMMGPOBSA-N 1 2 254.290 1.161 20 30 CDEDLO C=CC[C@H](CO)C[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000340315663 263110407 /nfs/dbraw/zinc/11/04/07/263110407.db2.gz DWDPRJHOQVXXMV-SMDDNHRTSA-N 1 2 290.342 1.807 20 30 CDEDLO N#C[C@@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)CCO1 ZINC000290636616 263118012 /nfs/dbraw/zinc/11/80/12/263118012.db2.gz JGUAOGOMTXBJLY-LLVKDONJSA-N 1 2 271.280 1.091 20 30 CDEDLO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000298733270 263224719 /nfs/dbraw/zinc/22/47/19/263224719.db2.gz HMNGSPWBDSSYDW-LBPRGKRZSA-N 1 2 296.330 1.606 20 30 CDEDLO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000298733270 263224720 /nfs/dbraw/zinc/22/47/20/263224720.db2.gz HMNGSPWBDSSYDW-LBPRGKRZSA-N 1 2 296.330 1.606 20 30 CDEDLO C[C@H](CC#N)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000299659670 263250438 /nfs/dbraw/zinc/25/04/38/263250438.db2.gz MTMICZLJHYRNBD-GFCCVEGCSA-N 1 2 268.320 1.963 20 30 CDEDLO Cc1nc([C@@H]2C[N@H+](CCCSCC#N)CCO2)no1 ZINC000330775392 264035006 /nfs/dbraw/zinc/03/50/06/264035006.db2.gz SEAQVKUXZOTLLI-NSHDSACASA-N 1 2 282.369 1.398 20 30 CDEDLO Cc1nc([C@@H]2C[N@@H+](CCCSCC#N)CCO2)no1 ZINC000330775392 264035008 /nfs/dbraw/zinc/03/50/08/264035008.db2.gz SEAQVKUXZOTLLI-NSHDSACASA-N 1 2 282.369 1.398 20 30 CDEDLO CN(C(=O)C[NH2+][C@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000330808889 264044117 /nfs/dbraw/zinc/04/41/17/264044117.db2.gz DHTSEYBSDSJWJQ-JSGCOSHPSA-N 1 2 257.337 1.931 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N(C)C[C@H](O)C(F)(F)F ZINC000330866069 264058164 /nfs/dbraw/zinc/05/81/64/264058164.db2.gz VDMBALWNFDGWFO-BDAKNGLRSA-N 1 2 294.277 1.041 20 30 CDEDLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000125907202 264078915 /nfs/dbraw/zinc/07/89/15/264078915.db2.gz HUNFEJFTQHMBHF-SGTLLEGYSA-N 1 2 267.369 1.876 20 30 CDEDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000125907202 264078916 /nfs/dbraw/zinc/07/89/16/264078916.db2.gz HUNFEJFTQHMBHF-SGTLLEGYSA-N 1 2 267.369 1.876 20 30 CDEDLO Cc1ccc(C(=O)N[C@H](CO)C[NH+]2CCOCC2)c(F)c1 ZINC000331236229 264175414 /nfs/dbraw/zinc/17/54/14/264175414.db2.gz GFQFOAQLXKVUKL-LBPRGKRZSA-N 1 2 296.342 1.132 20 30 CDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cncc(F)c1 ZINC000331355016 264207270 /nfs/dbraw/zinc/20/72/70/264207270.db2.gz QBUVSTIGJQQSBZ-UHFFFAOYSA-N 1 2 281.331 1.636 20 30 CDEDLO C=C[C@@H](C)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000128105721 264273978 /nfs/dbraw/zinc/27/39/78/264273978.db2.gz IOQNUGVVEQSQAG-LLVKDONJSA-N 1 2 262.357 1.636 20 30 CDEDLO CCN(CC#N)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000343270333 264290359 /nfs/dbraw/zinc/29/03/59/264290359.db2.gz NLQPLKHKTCWVHT-UHFFFAOYSA-N 1 2 259.300 1.336 20 30 CDEDLO C=CCCn1cc(C[N@H+](C)CCOCC2CC2)nn1 ZINC000653568526 424292033 /nfs/dbraw/zinc/29/20/33/424292033.db2.gz ZRWNWVBYPCNOIN-UHFFFAOYSA-N 1 2 264.373 1.713 20 30 CDEDLO C=CCCn1cc(C[N@@H+](C)CCOCC2CC2)nn1 ZINC000653568526 424292038 /nfs/dbraw/zinc/29/20/38/424292038.db2.gz ZRWNWVBYPCNOIN-UHFFFAOYSA-N 1 2 264.373 1.713 20 30 CDEDLO C[C@H]([NH2+]CC(=O)NCC#N)c1nc(C2CCCCC2)no1 ZINC000185234768 265011422 /nfs/dbraw/zinc/01/14/22/265011422.db2.gz XAVLLXTVHRJVTH-JTQLQIEISA-N 1 2 291.355 1.408 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)nn1 ZINC000653594549 424315399 /nfs/dbraw/zinc/31/53/99/424315399.db2.gz ZNDPVBXNKWYUJL-CQSZACIVSA-N 1 2 289.383 1.051 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)nn1 ZINC000653594549 424315407 /nfs/dbraw/zinc/31/54/07/424315407.db2.gz ZNDPVBXNKWYUJL-CQSZACIVSA-N 1 2 289.383 1.051 20 30 CDEDLO CC[C@H](C)[C@@H](NC(=O)C[N@H+](CC)C[C@H](C)C#N)C(=O)OC ZINC000356482335 266123304 /nfs/dbraw/zinc/12/33/04/266123304.db2.gz UNUVLUVKFFKIFV-MBNYWOFBSA-N 1 2 297.399 1.172 20 30 CDEDLO CC[C@H](C)[C@@H](NC(=O)C[N@@H+](CC)C[C@H](C)C#N)C(=O)OC ZINC000356482335 266123308 /nfs/dbraw/zinc/12/33/08/266123308.db2.gz UNUVLUVKFFKIFV-MBNYWOFBSA-N 1 2 297.399 1.172 20 30 CDEDLO CC(C)[C@H](O)C[N@@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000368394802 267167927 /nfs/dbraw/zinc/16/79/27/267167927.db2.gz XBTGGERBPMPKTI-ILXRZTDVSA-N 1 2 266.385 1.931 20 30 CDEDLO CC(C)[C@H](O)C[N@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000368394802 267167929 /nfs/dbraw/zinc/16/79/29/267167929.db2.gz XBTGGERBPMPKTI-ILXRZTDVSA-N 1 2 266.385 1.931 20 30 CDEDLO C[C@H]1C[N@H+](C[C@H](C#N)CCC#N)CC2(CCOCC2)O1 ZINC000369283928 267229885 /nfs/dbraw/zinc/22/98/85/267229885.db2.gz PIAACKUUKYOSSA-KBPBESRZSA-N 1 2 277.368 1.700 20 30 CDEDLO C[C@H]1C[N@@H+](C[C@H](C#N)CCC#N)CC2(CCOCC2)O1 ZINC000369283928 267229888 /nfs/dbraw/zinc/22/98/88/267229888.db2.gz PIAACKUUKYOSSA-KBPBESRZSA-N 1 2 277.368 1.700 20 30 CDEDLO Cc1cc(NCCC(=O)N2CCCCC2)c(C#N)c[nH+]1 ZINC000399517256 267300312 /nfs/dbraw/zinc/30/03/12/267300312.db2.gz NJKQTJRHLLKHJG-UHFFFAOYSA-N 1 2 272.352 1.498 20 30 CDEDLO C=CCCS(=O)(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000370438115 267318809 /nfs/dbraw/zinc/31/88/09/267318809.db2.gz GRBZPHCYGKXMPT-UHFFFAOYSA-N 1 2 283.397 1.557 20 30 CDEDLO C=C[C@@H](C)NC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000354267660 276913701 /nfs/dbraw/zinc/91/37/01/276913701.db2.gz VBSQVROJDFABOF-NEPJUHHUSA-N 1 2 277.372 1.372 20 30 CDEDLO CC(C)(C)[C@H](C#N)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000334876829 277247017 /nfs/dbraw/zinc/24/70/17/277247017.db2.gz JFOUPRQIYLWSLA-ONGXEEELSA-N 1 2 260.341 1.884 20 30 CDEDLO CC(C)(C)[C@H](C#N)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000334876829 277247018 /nfs/dbraw/zinc/24/70/18/277247018.db2.gz JFOUPRQIYLWSLA-ONGXEEELSA-N 1 2 260.341 1.884 20 30 CDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(C#N)c1 ZINC000367629839 288716910 /nfs/dbraw/zinc/71/69/10/288716910.db2.gz BOTKTQGNVVIIKY-CJNGLKHVSA-N 1 2 299.374 1.493 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)nc1 ZINC000558641741 290410407 /nfs/dbraw/zinc/41/04/07/290410407.db2.gz CWFHSBFWXGOMEK-HNNXBMFYSA-N 1 2 293.330 1.135 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnc(C2CC2)s1 ZINC000574919448 327639333 /nfs/dbraw/zinc/63/93/33/327639333.db2.gz BIPGLSRRQODSCC-ZDUSSCGKSA-N 1 2 278.381 1.594 20 30 CDEDLO C[C@H]1C[N@H+](CCSc2cccnc2C#N)CCO1 ZINC000563735886 316364212 /nfs/dbraw/zinc/36/42/12/316364212.db2.gz WMOPUUROIQKHGT-NSHDSACASA-N 1 2 263.366 1.766 20 30 CDEDLO C[C@H]1C[N@@H+](CCSc2cccnc2C#N)CCO1 ZINC000563735886 316364214 /nfs/dbraw/zinc/36/42/14/316364214.db2.gz WMOPUUROIQKHGT-NSHDSACASA-N 1 2 263.366 1.766 20 30 CDEDLO CC(C)[N@H+](CCC#N)Cc1cc(C(N)=O)cs1 ZINC000534337986 328049464 /nfs/dbraw/zinc/04/94/64/328049464.db2.gz XADKDYZIUKERRS-UHFFFAOYSA-N 1 2 251.355 1.971 20 30 CDEDLO CC(C)[N@@H+](CCC#N)Cc1cc(C(N)=O)cs1 ZINC000534337986 328049465 /nfs/dbraw/zinc/04/94/65/328049465.db2.gz XADKDYZIUKERRS-UHFFFAOYSA-N 1 2 251.355 1.971 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1ccccc1F ZINC000563493976 328070106 /nfs/dbraw/zinc/07/01/06/328070106.db2.gz LEXJMVRFYQNEGK-CQSZACIVSA-N 1 2 279.315 1.165 20 30 CDEDLO C=C(C)CN(CC)C(=O)CO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000267032947 328172059 /nfs/dbraw/zinc/17/20/59/328172059.db2.gz VXTUKCCAZUAIKK-ZDUSSCGKSA-N 1 2 299.415 1.761 20 30 CDEDLO CC(C)N(CCC#N)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000533548098 326856982 /nfs/dbraw/zinc/85/69/82/326856982.db2.gz WSFSPEYCDDRRER-LBPRGKRZSA-N 1 2 260.341 1.596 20 30 CDEDLO Cc1cc(NC(=O)C[NH+]2CCC(CCC#N)CC2)no1 ZINC000566172225 327155351 /nfs/dbraw/zinc/15/53/51/327155351.db2.gz BQIUTUWUYJGNIM-UHFFFAOYSA-N 1 2 276.340 1.359 20 30 CDEDLO N#CCC[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000560857304 327348020 /nfs/dbraw/zinc/34/80/20/327348020.db2.gz KFFVMYSGMBDHIV-UHFFFAOYSA-N 1 2 273.336 1.162 20 30 CDEDLO N#CCCCS(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000126034089 327397621 /nfs/dbraw/zinc/39/76/21/327397621.db2.gz WSJDHJKETIBPQH-NSHDSACASA-N 1 2 282.369 1.570 20 30 CDEDLO CC#CC[NH+]1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000361432174 328925865 /nfs/dbraw/zinc/92/58/65/328925865.db2.gz JOCCJWIZEHPZQV-UHFFFAOYSA-N 1 2 276.384 1.508 20 30 CDEDLO C=CCCC(=O)N1CCC[N@@H+](Cc2nccn2CC)CC1 ZINC000377557776 329019094 /nfs/dbraw/zinc/01/90/94/329019094.db2.gz YVNNBISYSJPLRQ-UHFFFAOYSA-N 1 2 290.411 1.904 20 30 CDEDLO C=CCCC(=O)N1CCC[N@H+](Cc2nccn2CC)CC1 ZINC000377557776 329019095 /nfs/dbraw/zinc/01/90/95/329019095.db2.gz YVNNBISYSJPLRQ-UHFFFAOYSA-N 1 2 290.411 1.904 20 30 CDEDLO C=CCCC(=O)N1CCCN(Cc2[nH+]ccn2CC)CC1 ZINC000377557776 329019097 /nfs/dbraw/zinc/01/90/97/329019097.db2.gz YVNNBISYSJPLRQ-UHFFFAOYSA-N 1 2 290.411 1.904 20 30 CDEDLO N#CCCCCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174725314 329161298 /nfs/dbraw/zinc/16/12/98/329161298.db2.gz RKPOFZZJXAFCFD-AWEZNQCLSA-N 1 2 294.399 1.186 20 30 CDEDLO C=C(C)CN(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000181421984 329236443 /nfs/dbraw/zinc/23/64/43/329236443.db2.gz LNEKGECCHYVIJI-UHFFFAOYSA-N 1 2 269.389 1.315 20 30 CDEDLO C=C(C)CN(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000181421984 329236444 /nfs/dbraw/zinc/23/64/44/329236444.db2.gz LNEKGECCHYVIJI-UHFFFAOYSA-N 1 2 269.389 1.315 20 30 CDEDLO N#CC1(CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CCC1 ZINC000582915485 329288289 /nfs/dbraw/zinc/28/82/89/329288289.db2.gz NNJCYFSCDPEHFQ-UHFFFAOYSA-N 1 2 297.318 1.083 20 30 CDEDLO CCOCc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000583140186 329320793 /nfs/dbraw/zinc/32/07/93/329320793.db2.gz REPWEGJTOBIGHF-INIZCTEOSA-N 1 2 291.395 1.841 20 30 CDEDLO CCOCc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000583140186 329320794 /nfs/dbraw/zinc/32/07/94/329320794.db2.gz REPWEGJTOBIGHF-INIZCTEOSA-N 1 2 291.395 1.841 20 30 CDEDLO C=CCN(C(=O)C(=O)Nc1c[nH+]ccc1OC)C1CC1 ZINC000442392433 330775552 /nfs/dbraw/zinc/77/55/52/330775552.db2.gz OAXDSEXEFMNXJP-UHFFFAOYSA-N 1 2 275.308 1.206 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N(C)CC1(C#N)CCC1 ZINC000450875483 331004176 /nfs/dbraw/zinc/00/41/76/331004176.db2.gz HVHOPTAUJJAYNH-CYBMUJFWSA-N 1 2 251.374 1.333 20 30 CDEDLO C=CCOc1cccnc1C(=O)NCc1[nH+]ccn1CC ZINC000452569694 331069462 /nfs/dbraw/zinc/06/94/62/331069462.db2.gz HRFNHEFNBWOJAT-UHFFFAOYSA-N 1 2 286.335 1.793 20 30 CDEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000452649761 331071165 /nfs/dbraw/zinc/07/11/65/331071165.db2.gz YAVSMHWLCBOTBR-ZDUSSCGKSA-N 1 2 293.754 1.675 20 30 CDEDLO C[N@H+]1CCO[C@H](C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000452649761 331071166 /nfs/dbraw/zinc/07/11/66/331071166.db2.gz YAVSMHWLCBOTBR-ZDUSSCGKSA-N 1 2 293.754 1.675 20 30 CDEDLO C[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)C1CCC1 ZINC000457522310 331225777 /nfs/dbraw/zinc/22/57/77/331225777.db2.gz YZAQIMHWQUQHSE-AWEZNQCLSA-N 1 2 293.411 1.497 20 30 CDEDLO C#CC[NH+]1CCN(CN2C(=O)[C@@H](C)[C@@H]2c2ccccc2)CC1 ZINC000490679241 332103066 /nfs/dbraw/zinc/10/30/66/332103066.db2.gz RPTJEXVFXJQUKX-DOTOQJQBSA-N 1 2 297.402 1.414 20 30 CDEDLO C#CC[NH2+][C@@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000490935222 332130865 /nfs/dbraw/zinc/13/08/65/332130865.db2.gz LSYGELOBXJCDRJ-VIFPVBQESA-N 1 2 252.339 1.912 20 30 CDEDLO C#C[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)C(C)C ZINC000490974804 332135263 /nfs/dbraw/zinc/13/52/63/332135263.db2.gz QPQRNYIXJJIBMW-IHRRRGAJSA-N 1 2 281.400 1.053 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000491288519 332182397 /nfs/dbraw/zinc/18/23/97/332182397.db2.gz SMCMBNCYQLSAMU-LLVKDONJSA-N 1 2 287.319 1.437 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000491288519 332182399 /nfs/dbraw/zinc/18/23/99/332182399.db2.gz SMCMBNCYQLSAMU-LLVKDONJSA-N 1 2 287.319 1.437 20 30 CDEDLO C#CC[N@@H+](C)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000491316987 332189153 /nfs/dbraw/zinc/18/91/53/332189153.db2.gz YUGKBVXYENPHFU-UHFFFAOYSA-N 1 2 260.366 1.955 20 30 CDEDLO C#CC[N@H+](C)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000491316987 332189154 /nfs/dbraw/zinc/18/91/54/332189154.db2.gz YUGKBVXYENPHFU-UHFFFAOYSA-N 1 2 260.366 1.955 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000491372412 332198986 /nfs/dbraw/zinc/19/89/86/332198986.db2.gz JHCNBVUBLMSPCT-CQSZACIVSA-N 1 2 268.320 1.101 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000491372412 332198987 /nfs/dbraw/zinc/19/89/87/332198987.db2.gz JHCNBVUBLMSPCT-CQSZACIVSA-N 1 2 268.320 1.101 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000491486313 332220709 /nfs/dbraw/zinc/22/07/09/332220709.db2.gz VDDJHSUVVZTINT-ZJUUUORDSA-N 1 2 287.285 1.936 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000491524531 332229716 /nfs/dbraw/zinc/22/97/16/332229716.db2.gz MLZAVRDHFWILJA-LBPRGKRZSA-N 1 2 272.339 1.882 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C2(CCOCC2)[C@H]1C1CC1 ZINC000491546473 332235564 /nfs/dbraw/zinc/23/55/64/332235564.db2.gz VYZSREYYYQZNNI-GXTWGEPZSA-N 1 2 276.380 1.315 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C2(CCOCC2)[C@H]1C1CC1 ZINC000491546473 332235566 /nfs/dbraw/zinc/23/55/66/332235566.db2.gz VYZSREYYYQZNNI-GXTWGEPZSA-N 1 2 276.380 1.315 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cccn2C)n1 ZINC000491625130 332249125 /nfs/dbraw/zinc/24/91/25/332249125.db2.gz HPWSWBAORANFNE-UHFFFAOYSA-N 1 2 286.379 1.503 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cccn2C)n1 ZINC000491625130 332249126 /nfs/dbraw/zinc/24/91/26/332249126.db2.gz HPWSWBAORANFNE-UHFFFAOYSA-N 1 2 286.379 1.503 20 30 CDEDLO C#CCN(C)C(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000491631785 332253880 /nfs/dbraw/zinc/25/38/80/332253880.db2.gz RPZBJTNGWALJKW-UHFFFAOYSA-N 1 2 255.321 1.826 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(C(=O)NCC)c1 ZINC000491672282 332278838 /nfs/dbraw/zinc/27/88/38/332278838.db2.gz RPBHKNWZMYEJNP-LBPRGKRZSA-N 1 2 287.363 1.328 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cccc(C(=O)NCC)c1 ZINC000491672282 332278840 /nfs/dbraw/zinc/27/88/40/332278840.db2.gz RPBHKNWZMYEJNP-LBPRGKRZSA-N 1 2 287.363 1.328 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000491738645 332318093 /nfs/dbraw/zinc/31/80/93/332318093.db2.gz RVPARJXBBUCMGN-GFCCVEGCSA-N 1 2 262.357 1.702 20 30 CDEDLO C#CC[N@@H+](Cc1nnnn1C(C)(C)C)C1CCCC1 ZINC000491741269 332320103 /nfs/dbraw/zinc/32/01/03/332320103.db2.gz VQCOXYWGZNXFNU-UHFFFAOYSA-N 1 2 261.373 1.806 20 30 CDEDLO C#CC[N@H+](Cc1nnnn1C(C)(C)C)C1CCCC1 ZINC000491741269 332320105 /nfs/dbraw/zinc/32/01/05/332320105.db2.gz VQCOXYWGZNXFNU-UHFFFAOYSA-N 1 2 261.373 1.806 20 30 CDEDLO C#C[C@@H](CC)NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000491741531 332320320 /nfs/dbraw/zinc/32/03/20/332320320.db2.gz RJOFQAWOMIMTTE-NSHDSACASA-N 1 2 256.309 1.545 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@@](CC)(C(C)C)C1=O ZINC000491766332 332334373 /nfs/dbraw/zinc/33/43/73/332334373.db2.gz GYIIQQRTPVDQIG-RISCZKNCSA-N 1 2 265.357 1.254 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@@](CC)(C(C)C)C1=O ZINC000491766332 332334374 /nfs/dbraw/zinc/33/43/74/332334374.db2.gz GYIIQQRTPVDQIG-RISCZKNCSA-N 1 2 265.357 1.254 20 30 CDEDLO C#CCN(C(=O)NCc1[nH+]ccn1CC)C1CCCC1 ZINC000491785337 332348105 /nfs/dbraw/zinc/34/81/05/332348105.db2.gz MVZYGYZYLLZDBX-UHFFFAOYSA-N 1 2 274.368 1.990 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000491820594 332370279 /nfs/dbraw/zinc/37/02/79/332370279.db2.gz YCGJMKHMUWXUQQ-LBPRGKRZSA-N 1 2 287.363 1.280 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000491820594 332370280 /nfs/dbraw/zinc/37/02/80/332370280.db2.gz YCGJMKHMUWXUQQ-LBPRGKRZSA-N 1 2 287.363 1.280 20 30 CDEDLO CCn1cc[nH+]c1/C=C\C(=O)NC1(C#N)CCSCC1 ZINC000492537525 332402113 /nfs/dbraw/zinc/40/21/13/332402113.db2.gz RCVRSTPMRZOSOP-ARJAWSKDSA-N 1 2 290.392 1.822 20 30 CDEDLO CCOc1ccc(/C=[NH+]\CCNC(=O)OC)c(O)c1 ZINC000497076574 332569255 /nfs/dbraw/zinc/56/92/55/332569255.db2.gz AQFAOIYYUVPKCP-ZROIWOOFSA-N 1 2 266.297 1.566 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N[C@H]1CCOc2ccccc21 ZINC000192222644 333232863 /nfs/dbraw/zinc/23/28/63/333232863.db2.gz HACCWINANCCJKK-ZDUSSCGKSA-N 1 2 258.321 1.191 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N[C@H]1CCOc2ccccc21 ZINC000192222644 333232864 /nfs/dbraw/zinc/23/28/64/333232864.db2.gz HACCWINANCCJKK-ZDUSSCGKSA-N 1 2 258.321 1.191 20 30 CDEDLO COC(=O)C[N@H+](CCOCCC#N)Cc1ccccc1 ZINC000549770642 334204419 /nfs/dbraw/zinc/20/44/19/334204419.db2.gz TVAUNWVNKRKMGJ-UHFFFAOYSA-N 1 2 276.336 1.592 20 30 CDEDLO COC(=O)C[N@@H+](CCOCCC#N)Cc1ccccc1 ZINC000549770642 334204420 /nfs/dbraw/zinc/20/44/20/334204420.db2.gz TVAUNWVNKRKMGJ-UHFFFAOYSA-N 1 2 276.336 1.592 20 30 CDEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCCN(C)C1=O ZINC000552006506 334273576 /nfs/dbraw/zinc/27/35/76/334273576.db2.gz FTNWSKGXPLXWSE-HNNXBMFYSA-N 1 2 292.379 1.771 20 30 CDEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCCN(C)C1=O ZINC000552006506 334273578 /nfs/dbraw/zinc/27/35/78/334273578.db2.gz FTNWSKGXPLXWSE-HNNXBMFYSA-N 1 2 292.379 1.771 20 30 CDEDLO Cc1csc(CCC(=O)N[C@@](C)(C#N)C[NH+](C)C)n1 ZINC000576402593 335199398 /nfs/dbraw/zinc/19/93/98/335199398.db2.gz IDPRSTZXUMHNFD-ZDUSSCGKSA-N 1 2 280.397 1.344 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000580568926 335284523 /nfs/dbraw/zinc/28/45/23/335284523.db2.gz UPPCSJKKVAWICK-GFCCVEGCSA-N 1 2 273.336 1.557 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000577134508 335306475 /nfs/dbraw/zinc/30/64/75/335306475.db2.gz VWGGLDKXYWCWEH-UONOGXRCSA-N 1 2 282.347 1.825 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1coc(-c2ccccc2)n1 ZINC000577255883 335330490 /nfs/dbraw/zinc/33/04/90/335330490.db2.gz SEFQFHZWWBRFSW-MRXNPFEDSA-N 1 2 298.346 1.915 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnc2ccccc2n1 ZINC000578940476 335691219 /nfs/dbraw/zinc/69/12/19/335691219.db2.gz NYUHUJOONJVORV-OAHLLOKOSA-N 1 2 283.335 1.203 20 30 CDEDLO N#CC1(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000581644268 336116474 /nfs/dbraw/zinc/11/64/74/336116474.db2.gz LIGZELJQMGOIIT-UHFFFAOYSA-N 1 2 285.351 1.217 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1OCCc2ccccc21 ZINC000581827467 336148400 /nfs/dbraw/zinc/14/84/00/336148400.db2.gz SHBJXCMZQCFFEJ-HOCLYGCPSA-N 1 2 287.363 1.260 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2CCO[C@@H](C)C2)C1 ZINC001754585027 1159301468 /nfs/dbraw/zinc/30/14/68/1159301468.db2.gz LXABWFLYHIUVIS-UONOGXRCSA-N 1 2 296.411 1.147 20 30 CDEDLO Fc1ccc(C#CCN2CC[NH+](Cc3cn[nH]c3)CC2)cc1 ZINC000625475238 482443710 /nfs/dbraw/zinc/44/37/10/482443710.db2.gz YZKFUWQMXZRJEY-UHFFFAOYSA-N 1 2 298.365 1.718 20 30 CDEDLO COCC#CC[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000678720356 483151988 /nfs/dbraw/zinc/15/19/88/483151988.db2.gz RPHGLNXTFAACHW-UHFFFAOYSA-N 1 2 298.390 1.330 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH2+][C@H](COC)c1ccc(CC)o1 ZINC000184811402 518284593 /nfs/dbraw/zinc/28/45/93/518284593.db2.gz DJMROQIQDGKOHI-WCQYABFASA-N 1 2 278.352 1.257 20 30 CDEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001077779505 1161332850 /nfs/dbraw/zinc/33/28/50/1161332850.db2.gz REYISRKUBWIYJX-NXEZZACHSA-N 1 2 286.784 1.362 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001077779505 1161332856 /nfs/dbraw/zinc/33/28/56/1161332856.db2.gz REYISRKUBWIYJX-NXEZZACHSA-N 1 2 286.784 1.362 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(CC)nn2)C1 ZINC001080684538 1161567188 /nfs/dbraw/zinc/56/71/88/1161567188.db2.gz XXPXKGXDRHJQCF-MWLCHTKSSA-N 1 2 297.790 1.101 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(CC)nn2)C1 ZINC001080684538 1161567193 /nfs/dbraw/zinc/56/71/93/1161567193.db2.gz XXPXKGXDRHJQCF-MWLCHTKSSA-N 1 2 297.790 1.101 20 30 CDEDLO C=C[C@H](CC)CC(=O)N(C)CC[NH2+]Cc1nnc(C)o1 ZINC001753222108 1185121158 /nfs/dbraw/zinc/12/11/58/1185121158.db2.gz NEACSMSFEBAHFU-GFCCVEGCSA-N 1 2 280.372 1.528 20 30 CDEDLO N#Cc1cnc(NCCc2cn3ccccc3[nH+]2)cn1 ZINC000106463757 518196743 /nfs/dbraw/zinc/19/67/43/518196743.db2.gz XKYWKCQNEKTPCV-UHFFFAOYSA-N 1 2 264.292 1.651 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCCn2nc(C)cc2C)CC1 ZINC001113392448 1162167358 /nfs/dbraw/zinc/16/73/58/1162167358.db2.gz DCRDDAUPZIHHCU-UHFFFAOYSA-N 1 2 290.411 1.610 20 30 CDEDLO Cn1ccnc1C[N@H+](C)CCOc1cccc(C#N)c1 ZINC000062251957 522911472 /nfs/dbraw/zinc/91/14/72/522911472.db2.gz MZPOWOMOZDOPHX-UHFFFAOYSA-N 1 2 270.336 1.803 20 30 CDEDLO Cn1ccnc1C[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000062251957 522911482 /nfs/dbraw/zinc/91/14/82/522911482.db2.gz MZPOWOMOZDOPHX-UHFFFAOYSA-N 1 2 270.336 1.803 20 30 CDEDLO CNC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000184050706 524088203 /nfs/dbraw/zinc/08/82/03/524088203.db2.gz GUXNANZUEMLXKG-FZMZJTMJSA-N 1 2 273.336 1.066 20 30 CDEDLO CNC(=O)[C@@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000184050706 524088207 /nfs/dbraw/zinc/08/82/07/524088207.db2.gz GUXNANZUEMLXKG-FZMZJTMJSA-N 1 2 273.336 1.066 20 30 CDEDLO CC(C)(C#N)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000355875521 527483836 /nfs/dbraw/zinc/48/38/36/527483836.db2.gz BUPCRDBWMDNMDX-CYBMUJFWSA-N 1 2 279.384 1.296 20 30 CDEDLO CC(C)(C#N)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000355875521 527483843 /nfs/dbraw/zinc/48/38/43/527483843.db2.gz BUPCRDBWMDNMDX-CYBMUJFWSA-N 1 2 279.384 1.296 20 30 CDEDLO C=CCN(CC=C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106581229 527622028 /nfs/dbraw/zinc/62/20/28/527622028.db2.gz STOLAXQCXLKSAO-AWEZNQCLSA-N 1 2 280.416 1.006 20 30 CDEDLO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC000330021545 529083045 /nfs/dbraw/zinc/08/30/45/529083045.db2.gz XZJWGBPDMLRWHS-RYUDHWBXSA-N 1 2 288.413 1.395 20 30 CDEDLO CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC000330021545 529083048 /nfs/dbraw/zinc/08/30/48/529083048.db2.gz XZJWGBPDMLRWHS-RYUDHWBXSA-N 1 2 288.413 1.395 20 30 CDEDLO COc1ccc(O)c(/C=N/CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC000729149614 574722938 /nfs/dbraw/zinc/72/29/38/574722938.db2.gz MJTIAAGWZXQJJP-SEJMYLSOSA-N 1 2 278.352 1.540 20 30 CDEDLO COc1ccc(O)c(/C=N/CC[N@H+]2CCOC[C@@H]2C)c1 ZINC000729149614 574722940 /nfs/dbraw/zinc/72/29/40/574722940.db2.gz MJTIAAGWZXQJJP-SEJMYLSOSA-N 1 2 278.352 1.540 20 30 CDEDLO CCOc1cccc(/C=N/CC[N@@H+]2CCOC[C@@H]2C)c1O ZINC000729148796 574722987 /nfs/dbraw/zinc/72/29/87/574722987.db2.gz DXTRUAYQIWIPCC-HNEYUBDGSA-N 1 2 292.379 1.931 20 30 CDEDLO CCOc1cccc(/C=N/CC[N@H+]2CCOC[C@@H]2C)c1O ZINC000729148796 574722988 /nfs/dbraw/zinc/72/29/88/574722988.db2.gz DXTRUAYQIWIPCC-HNEYUBDGSA-N 1 2 292.379 1.931 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)C[C@H](C)n2cccc2)CC1 ZINC000735054079 575420160 /nfs/dbraw/zinc/42/01/60/575420160.db2.gz NZGGKKBOPOQTBS-AWEZNQCLSA-N 1 2 259.353 1.217 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(NC(C)=O)c1 ZINC000732058712 575078180 /nfs/dbraw/zinc/07/81/80/575078180.db2.gz VWSROHFBZGUSKY-INIZCTEOSA-N 1 2 299.374 1.990 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(NC(C)=O)c1 ZINC000732058712 575078181 /nfs/dbraw/zinc/07/81/81/575078181.db2.gz VWSROHFBZGUSKY-INIZCTEOSA-N 1 2 299.374 1.990 20 30 CDEDLO Cc1cccn2c(C=NN3C(=S)N=NC3C)c[nH+]c12 ZINC000755510097 575155111 /nfs/dbraw/zinc/15/51/11/575155111.db2.gz COBPNGPCXTVGKQ-UHFFFAOYSA-N 1 2 272.337 1.714 20 30 CDEDLO N#Cc1cnc(-n2c[nH+]c(CCCO)c2)c(Cl)c1 ZINC000734141609 575156424 /nfs/dbraw/zinc/15/64/24/575156424.db2.gz FQHXNAOEJZJBSJ-UHFFFAOYSA-N 1 2 262.700 1.717 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(OC(C)C)cn2)CC1 ZINC000767920473 576239093 /nfs/dbraw/zinc/23/90/93/576239093.db2.gz CFDXDFMKGLDRIK-UHFFFAOYSA-N 1 2 287.363 1.260 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000734488329 575348882 /nfs/dbraw/zinc/34/88/82/575348882.db2.gz WOOXMYBFGRVSQU-CQSZACIVSA-N 1 2 274.389 1.526 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000734488329 575348884 /nfs/dbraw/zinc/34/88/84/575348884.db2.gz WOOXMYBFGRVSQU-CQSZACIVSA-N 1 2 274.389 1.526 20 30 CDEDLO C#C[C@H](C)NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000773592140 575802805 /nfs/dbraw/zinc/80/28/05/575802805.db2.gz DMYFMYPZGVMHEC-LBPRGKRZSA-N 1 2 261.325 1.129 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(C#N)cn2)C1 ZINC000768142572 576260916 /nfs/dbraw/zinc/26/09/16/576260916.db2.gz GKSJITNGAQAMLL-CYBMUJFWSA-N 1 2 295.346 1.707 20 30 CDEDLO COCCn1cc(C[N@H+](CCC#N)CC(C)C)cn1 ZINC000768154435 576261528 /nfs/dbraw/zinc/26/15/28/576261528.db2.gz SVSGGTGUFNXBQC-UHFFFAOYSA-N 1 2 264.373 1.901 20 30 CDEDLO COCCn1cc(C[N@@H+](CCC#N)CC(C)C)cn1 ZINC000768154435 576261531 /nfs/dbraw/zinc/26/15/31/576261531.db2.gz SVSGGTGUFNXBQC-UHFFFAOYSA-N 1 2 264.373 1.901 20 30 CDEDLO C#CCOCC[N@@H+](C)[C@H](C(=O)OC)c1ccccc1 ZINC000761113656 576550260 /nfs/dbraw/zinc/55/02/60/576550260.db2.gz IBQZXSUUZPJIRK-AWEZNQCLSA-N 1 2 261.321 1.482 20 30 CDEDLO C#CCOCC[N@H+](C)[C@H](C(=O)OC)c1ccccc1 ZINC000761113656 576550261 /nfs/dbraw/zinc/55/02/61/576550261.db2.gz IBQZXSUUZPJIRK-AWEZNQCLSA-N 1 2 261.321 1.482 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000762207133 576629108 /nfs/dbraw/zinc/62/91/08/576629108.db2.gz OUBPIDDUDOUNNI-UHFFFAOYSA-N 1 2 283.287 1.149 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)C2(c3cccc(C)c3)CC2)CC1 ZINC000744419307 576679880 /nfs/dbraw/zinc/67/98/80/576679880.db2.gz YBXFHZXBUPQSKV-UHFFFAOYSA-N 1 2 282.387 1.804 20 30 CDEDLO C#CC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000753943324 576867998 /nfs/dbraw/zinc/86/79/98/576867998.db2.gz SZXILQKDCROARD-UHFFFAOYSA-N 1 2 291.354 1.894 20 30 CDEDLO C#CC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000753953570 576869277 /nfs/dbraw/zinc/86/92/77/576869277.db2.gz BREYBSLSNYQHJN-OAHLLOKOSA-N 1 2 272.348 1.118 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000748835186 576928714 /nfs/dbraw/zinc/92/87/14/576928714.db2.gz ZPRIOIBIBUFCOM-SMDDNHRTSA-N 1 2 260.312 1.710 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000748835186 576928715 /nfs/dbraw/zinc/92/87/15/576928715.db2.gz ZPRIOIBIBUFCOM-SMDDNHRTSA-N 1 2 260.312 1.710 20 30 CDEDLO C#CCNC(=O)C[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000755099679 576930338 /nfs/dbraw/zinc/93/03/38/576930338.db2.gz DMMOMGKXTQYTMP-LBPRGKRZSA-N 1 2 298.346 1.060 20 30 CDEDLO CN(N=Cc1c[nH+]cn1C)C(=S)NCc1ccccc1 ZINC000755524863 576948759 /nfs/dbraw/zinc/94/87/59/576948759.db2.gz NKPREFDEOJAPLO-UHFFFAOYSA-N 1 2 287.392 1.761 20 30 CDEDLO Cn1c[nH+]cc1CN=Nc1nnc(-c2ccccc2)n1C ZINC000755647692 576953778 /nfs/dbraw/zinc/95/37/78/576953778.db2.gz CFVFBAULNUYVIT-UHFFFAOYSA-N 1 2 281.323 1.662 20 30 CDEDLO C=CCCOCC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000749996578 576971444 /nfs/dbraw/zinc/97/14/44/576971444.db2.gz OFZKLRKLNOULFI-UHFFFAOYSA-N 1 2 263.341 1.987 20 30 CDEDLO C#CCNC(=S)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000758190681 577079545 /nfs/dbraw/zinc/07/95/45/577079545.db2.gz HTPPEZUHTJWNNQ-UHFFFAOYSA-N 1 2 288.420 1.669 20 30 CDEDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cn1cccc(C#N)c1=O ZINC000758240456 577088792 /nfs/dbraw/zinc/08/87/92/577088792.db2.gz QFDZMANJTICFOQ-AWEZNQCLSA-N 1 2 297.362 1.420 20 30 CDEDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cn1cccc(C#N)c1=O ZINC000758240456 577088793 /nfs/dbraw/zinc/08/87/93/577088793.db2.gz QFDZMANJTICFOQ-AWEZNQCLSA-N 1 2 297.362 1.420 20 30 CDEDLO C#C[C@@H](CC)NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000753258372 577157769 /nfs/dbraw/zinc/15/77/69/577157769.db2.gz CMYVWSVGVSXUAJ-ZDUSSCGKSA-N 1 2 275.352 1.519 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccn(CC)n2)C1 ZINC000952401721 612992415 /nfs/dbraw/zinc/99/24/15/612992415.db2.gz DYRBXUIMTSZOSC-UHFFFAOYSA-N 1 2 274.368 1.073 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2c(C)onc2C2CC2)CC1 ZINC000949332982 613010306 /nfs/dbraw/zinc/01/03/06/613010306.db2.gz AOIGYXWPMWNHRH-UHFFFAOYSA-N 1 2 287.363 1.642 20 30 CDEDLO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000980299217 613087762 /nfs/dbraw/zinc/08/77/62/613087762.db2.gz BWKOAVUTUPMCLW-GFCCVEGCSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CC[N@H+](C)[C@@H]1CCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000980299217 613087763 /nfs/dbraw/zinc/08/77/63/613087763.db2.gz BWKOAVUTUPMCLW-GFCCVEGCSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccccc3)C2)C1 ZINC000972230029 613213082 /nfs/dbraw/zinc/21/30/82/613213082.db2.gz GLKQKQFNUZCPON-QGZVFWFLSA-N 1 2 284.359 1.237 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccccc3)C2)C1 ZINC000972230029 613213084 /nfs/dbraw/zinc/21/30/84/613213084.db2.gz GLKQKQFNUZCPON-QGZVFWFLSA-N 1 2 284.359 1.237 20 30 CDEDLO C#Cc1cncc(C(=O)N2CC[NH+](CC=C(C)C)CC2)c1 ZINC000950407021 613213313 /nfs/dbraw/zinc/21/33/13/613213313.db2.gz VQHZJJYVCVBVTQ-UHFFFAOYSA-N 1 2 283.375 1.787 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(OC)ns2)C1 ZINC000966196922 613215357 /nfs/dbraw/zinc/21/53/57/613215357.db2.gz JNADNRBIEVJLBE-MNOVXSKESA-N 1 2 293.392 1.225 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(OC)ns2)C1 ZINC000966196922 613215359 /nfs/dbraw/zinc/21/53/59/613215359.db2.gz JNADNRBIEVJLBE-MNOVXSKESA-N 1 2 293.392 1.225 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc(C)s2)C(C)(C)C1 ZINC000972853452 613284351 /nfs/dbraw/zinc/28/43/51/613284351.db2.gz OQHHRWFZNPTKKE-GFCCVEGCSA-N 1 2 277.393 1.525 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc(C)s2)C(C)(C)C1 ZINC000972853452 613284352 /nfs/dbraw/zinc/28/43/52/613284352.db2.gz OQHHRWFZNPTKKE-GFCCVEGCSA-N 1 2 277.393 1.525 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@H](OC)C2)C1 ZINC000950649031 613294530 /nfs/dbraw/zinc/29/45/30/613294530.db2.gz DDLIZEKFYGYTJA-HIFRSBDPSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2Cc3cccnc3C2)C1 ZINC000957328992 613295356 /nfs/dbraw/zinc/29/53/56/613295356.db2.gz OTUBVHYRDOWQMG-HNNXBMFYSA-N 1 2 299.418 1.905 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cccnc2OC)C1 ZINC000951592025 613296912 /nfs/dbraw/zinc/29/69/12/613296912.db2.gz CJLBOBIKDDGQKE-UHFFFAOYSA-N 1 2 289.379 1.813 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cncnc2CC)C1 ZINC000957399482 613297337 /nfs/dbraw/zinc/29/73/37/613297337.db2.gz HXMPJXWWUZKCJH-UHFFFAOYSA-N 1 2 288.395 1.761 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]2CC)CC1 ZINC000957099279 613315660 /nfs/dbraw/zinc/31/56/60/613315660.db2.gz PMMTUOJGTUJBSY-CQSZACIVSA-N 1 2 293.411 1.108 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H](CC)O2)CC1 ZINC000948604247 613318279 /nfs/dbraw/zinc/31/82/79/613318279.db2.gz TVVSNJSPQCMMPK-KGLIPLIRSA-N 1 2 266.385 1.664 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc3nncn3c2)CC1 ZINC000951727514 613320807 /nfs/dbraw/zinc/32/08/07/613320807.db2.gz RUTNRJPRWNXMHY-UHFFFAOYSA-N 1 2 285.351 1.063 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1C[NH+](CCOC)C1 ZINC000952446239 613360842 /nfs/dbraw/zinc/36/08/42/613360842.db2.gz BERZHCYIODXFJD-GJZGRUSLSA-N 1 2 296.411 1.147 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccn[nH]2)C1 ZINC000969330380 613371839 /nfs/dbraw/zinc/37/18/39/613371839.db2.gz QMILDCOBDNQYSC-SECBINFHSA-N 1 2 268.748 1.212 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2[nH]cnc2C)C1 ZINC000970981267 613372206 /nfs/dbraw/zinc/37/22/06/613372206.db2.gz KSJVQWPFKCFAQE-VIFPVBQESA-N 1 2 282.775 1.521 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccccn2)C1 ZINC000969199009 613372352 /nfs/dbraw/zinc/37/23/52/613372352.db2.gz LGHHSCDFLIRTGY-NSHDSACASA-N 1 2 279.771 1.884 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(C)n(C)n2)C1 ZINC000969361389 613372374 /nfs/dbraw/zinc/37/23/74/613372374.db2.gz JPVDGWRYXPPWQX-NSHDSACASA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccnnc2)C1 ZINC000970486701 613372473 /nfs/dbraw/zinc/37/24/73/613372473.db2.gz QCWRRJMTJJJOBE-JTQLQIEISA-N 1 2 280.759 1.279 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CO[C@H](C)C2)CC1 ZINC000981487774 613373668 /nfs/dbraw/zinc/37/36/68/613373668.db2.gz UMWLDKKVOYDHQN-OLZOCXBDSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CO[C@H](C)C2)CC1 ZINC000981487774 613373669 /nfs/dbraw/zinc/37/36/69/613373669.db2.gz UMWLDKKVOYDHQN-OLZOCXBDSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cncn2C)C1 ZINC000967263945 613378044 /nfs/dbraw/zinc/37/80/44/613378044.db2.gz CRPHHWUPERMRIL-CMPLNLGQSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cncn2C)C1 ZINC000967263945 613378045 /nfs/dbraw/zinc/37/80/45/613378045.db2.gz CRPHHWUPERMRIL-CMPLNLGQSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH2+]Cc3nncs3)C2)C1 ZINC000969883726 613393891 /nfs/dbraw/zinc/39/38/91/613393891.db2.gz YCFYYGRVENXMKS-LLVKDONJSA-N 1 2 292.408 1.585 20 30 CDEDLO O=C(CCc1[nH]cc[nH+]1)NCC#C[C@@H]1CCCCO1 ZINC000891124002 617367942 /nfs/dbraw/zinc/36/79/42/617367942.db2.gz ZSCMNOYJLTYAAF-LBPRGKRZSA-N 1 2 261.325 1.031 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CCCC3)C2)C1 ZINC000972213372 613570039 /nfs/dbraw/zinc/57/00/39/613570039.db2.gz CFVVJIJJNRTMAU-KRWDZBQOSA-N 1 2 290.407 1.503 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CCCC3)C2)C1 ZINC000972213372 613570042 /nfs/dbraw/zinc/57/00/42/613570042.db2.gz CFVVJIJJNRTMAU-KRWDZBQOSA-N 1 2 290.407 1.503 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(CC)CC3)C2)C1 ZINC000972541085 613571192 /nfs/dbraw/zinc/57/11/92/613571192.db2.gz WRQYULUEEODHIA-QGZVFWFLSA-N 1 2 290.407 1.503 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(CC)CC3)C2)C1 ZINC000972541085 613571193 /nfs/dbraw/zinc/57/11/93/613571193.db2.gz WRQYULUEEODHIA-QGZVFWFLSA-N 1 2 290.407 1.503 20 30 CDEDLO O=C(CNc1cccc[nH+]1)NCC#C[C@@H]1CCCCO1 ZINC000891112776 617365197 /nfs/dbraw/zinc/36/51/97/617365197.db2.gz OQVLIOZKWNVCRX-ZDUSSCGKSA-N 1 2 273.336 1.182 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccns2)C(C)(C)C1 ZINC000974648966 613611366 /nfs/dbraw/zinc/61/13/66/613611366.db2.gz YAQMNMXXQMQAIE-GFCCVEGCSA-N 1 2 277.393 1.607 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccns2)C(C)(C)C1 ZINC000974648966 613611368 /nfs/dbraw/zinc/61/13/68/613611368.db2.gz YAQMNMXXQMQAIE-GFCCVEGCSA-N 1 2 277.393 1.607 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@H](OC)C2)C1 ZINC000951573156 613655488 /nfs/dbraw/zinc/65/54/88/613655488.db2.gz CPHBVQMPYSBARI-ZFWWWQNUSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CC[N@H+]1CCCN(C(=O)c2snnc2C(C)C)CC1 ZINC000982369147 613700468 /nfs/dbraw/zinc/70/04/68/613700468.db2.gz ANJTXUSKMBMKAG-UHFFFAOYSA-N 1 2 294.424 1.995 20 30 CDEDLO C=CC[N@@H+]1CCCN(C(=O)c2snnc2C(C)C)CC1 ZINC000982369147 613700469 /nfs/dbraw/zinc/70/04/69/613700469.db2.gz ANJTXUSKMBMKAG-UHFFFAOYSA-N 1 2 294.424 1.995 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC000951758052 613716459 /nfs/dbraw/zinc/71/64/59/613716459.db2.gz FNUYUPWHDJZSMA-CYBMUJFWSA-N 1 2 286.375 1.954 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccn(C3CCCC3)n2)CC1 ZINC000948584345 613717711 /nfs/dbraw/zinc/71/77/11/613717711.db2.gz XEVXBNAHBADVSS-UHFFFAOYSA-N 1 2 288.395 1.942 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2n[nH]c3c2CCCCC3)CC1 ZINC000957663816 613718563 /nfs/dbraw/zinc/71/85/63/613718563.db2.gz ZFRPPOAOZPNXPC-UHFFFAOYSA-N 1 2 288.395 1.622 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]cc3C)C2)C1 ZINC000972676949 613724300 /nfs/dbraw/zinc/72/43/00/613724300.db2.gz MVFAKYLXSKGUFJ-INIZCTEOSA-N 1 2 289.379 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]cc3C)C2)C1 ZINC000972676949 613724304 /nfs/dbraw/zinc/72/43/04/613724304.db2.gz MVFAKYLXSKGUFJ-INIZCTEOSA-N 1 2 289.379 1.426 20 30 CDEDLO CC(=O)N[C@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969170154 614099983 /nfs/dbraw/zinc/09/99/83/614099983.db2.gz IOQDKNIPQRHHBK-SNVBAGLBSA-N 1 2 275.327 1.654 20 30 CDEDLO CCN(C(C)=O)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000949542418 614817789 /nfs/dbraw/zinc/81/77/89/614817789.db2.gz HJPVOJDIBDMJNM-UHFFFAOYSA-N 1 2 287.363 1.642 20 30 CDEDLO C#C[C@H]1CCCCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000892225442 617564162 /nfs/dbraw/zinc/56/41/62/617564162.db2.gz BKNVQSXFFXFZIA-AWEZNQCLSA-N 1 2 274.368 1.861 20 30 CDEDLO N#C[C@H]1CSCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935236701 618087169 /nfs/dbraw/zinc/08/71/69/618087169.db2.gz ZVQPZNCHUQHEGK-JTQLQIEISA-N 1 2 272.333 1.644 20 30 CDEDLO COc1cc(C)cc(C[NH+]2CCN(CC#N)CC2)c1OC ZINC000893992517 618234702 /nfs/dbraw/zinc/23/47/02/618234702.db2.gz KLGRHLVWVUQOQM-UHFFFAOYSA-N 1 2 289.379 1.653 20 30 CDEDLO C=CCC(C)(C)CNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000922606305 618292884 /nfs/dbraw/zinc/29/28/84/618292884.db2.gz WNCHIBZGVSUSQY-CQSZACIVSA-N 1 2 297.443 1.999 20 30 CDEDLO C#C[C@H]1CCCCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000894310658 618588370 /nfs/dbraw/zinc/58/83/70/618588370.db2.gz VHZIQPYAZMALQY-STQMWFEESA-N 1 2 272.352 1.395 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C/C(Cl)=C\Cl)nn1 ZINC000881429152 619134885 /nfs/dbraw/zinc/13/48/85/619134885.db2.gz KLFLOGOETFTPTL-WEVVVXLNSA-N 1 2 259.140 1.710 20 30 CDEDLO C=C[C@@H](CC)CC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000909526489 619772405 /nfs/dbraw/zinc/77/24/05/619772405.db2.gz YIULMZQGXHWKJX-STQMWFEESA-N 1 2 255.358 1.853 20 30 CDEDLO CO[C@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)CCO1 ZINC000895968538 619926476 /nfs/dbraw/zinc/92/64/76/619926476.db2.gz CGTARUHTXUFWEP-MRXNPFEDSA-N 1 2 289.379 1.841 20 30 CDEDLO CO[C@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CCO1 ZINC000895968538 619926480 /nfs/dbraw/zinc/92/64/80/619926480.db2.gz CGTARUHTXUFWEP-MRXNPFEDSA-N 1 2 289.379 1.841 20 30 CDEDLO C#CCCOc1ccc(C[NH+]2CC(N3CCCC3=O)C2)cc1 ZINC000897786232 621122194 /nfs/dbraw/zinc/12/21/94/621122194.db2.gz KUPAXVGMQIRSHP-UHFFFAOYSA-N 1 2 298.386 1.895 20 30 CDEDLO C=C1C[NH+](C[C@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000899900423 622516377 /nfs/dbraw/zinc/51/63/77/622516377.db2.gz QAFSCXHEBRPNQD-AWEZNQCLSA-N 1 2 276.336 1.257 20 30 CDEDLO CC(C)C[C@H](C#N)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000900508338 623168888 /nfs/dbraw/zinc/16/88/88/623168888.db2.gz AYRHEPGVBKNQIX-RISCZKNCSA-N 1 2 289.383 1.844 20 30 CDEDLO CC(C)C[C@H](C#N)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000900508338 623168892 /nfs/dbraw/zinc/16/88/92/623168892.db2.gz AYRHEPGVBKNQIX-RISCZKNCSA-N 1 2 289.383 1.844 20 30 CDEDLO C#CCSCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000900788521 623485133 /nfs/dbraw/zinc/48/51/33/623485133.db2.gz WVABNFUOXDNWMZ-NSHDSACASA-N 1 2 251.355 1.002 20 30 CDEDLO CCn1c[nH+]cc1C=CC(=O)C1=C(C)N=C2N=NNN2[C@H]1C ZINC000901503144 624305851 /nfs/dbraw/zinc/30/58/51/624305851.db2.gz ALNYXZGPVQPQTP-OMMCCPJFSA-N 1 2 299.338 1.705 20 30 CDEDLO COc1cn(C[N@@H+]2CCC[C@@H](C#N)C2)c(C)cc1=O ZINC000902381793 624739040 /nfs/dbraw/zinc/73/90/40/624739040.db2.gz GISAZBSTOMIZSY-LBPRGKRZSA-N 1 2 261.325 1.358 20 30 CDEDLO COc1cn(C[N@H+]2CCC[C@@H](C#N)C2)c(C)cc1=O ZINC000902381793 624739043 /nfs/dbraw/zinc/73/90/43/624739043.db2.gz GISAZBSTOMIZSY-LBPRGKRZSA-N 1 2 261.325 1.358 20 30 CDEDLO CC[C@@H](CC#N)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000907388082 627634172 /nfs/dbraw/zinc/63/41/72/627634172.db2.gz MPMJGTBVEWOSRR-XSNHNAGMSA-N 1 2 265.357 1.073 20 30 CDEDLO C#CCC[C@@H](O)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907978915 627946654 /nfs/dbraw/zinc/94/66/54/627946654.db2.gz WAFJZLBFBRYZEW-CYBMUJFWSA-N 1 2 260.337 1.511 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000923597061 631651303 /nfs/dbraw/zinc/65/13/03/631651303.db2.gz LNMTYRGAJCIEPY-SNVBAGLBSA-N 1 2 277.280 1.015 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000923597061 631651306 /nfs/dbraw/zinc/65/13/06/631651306.db2.gz LNMTYRGAJCIEPY-SNVBAGLBSA-N 1 2 277.280 1.015 20 30 CDEDLO Cc1nc([C@H](C)[NH2+]CCCNC(=O)C#CC(C)(C)C)no1 ZINC001157727711 1162349542 /nfs/dbraw/zinc/34/95/42/1162349542.db2.gz VHLBATQLAAZTSK-NSHDSACASA-N 1 2 292.383 1.584 20 30 CDEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c1=S ZINC000808228418 1162826342 /nfs/dbraw/zinc/82/63/42/1162826342.db2.gz ITJBQPRWGKOLJD-NSHDSACASA-N 1 2 295.412 1.063 20 30 CDEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@@H](CC(N)=O)C2)c1=S ZINC000808228418 1162826349 /nfs/dbraw/zinc/82/63/49/1162826349.db2.gz ITJBQPRWGKOLJD-NSHDSACASA-N 1 2 295.412 1.063 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)C1CCC=CCC1 ZINC001754502383 1159250032 /nfs/dbraw/zinc/25/00/32/1159250032.db2.gz GRRKVTAJBSLTJK-INIZCTEOSA-N 1 2 290.407 1.573 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)C1CCC=CCC1 ZINC001754502383 1159250034 /nfs/dbraw/zinc/25/00/34/1159250034.db2.gz GRRKVTAJBSLTJK-INIZCTEOSA-N 1 2 290.407 1.573 20 30 CDEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cnnn2C)C1 ZINC001131899081 1163101214 /nfs/dbraw/zinc/10/12/14/1163101214.db2.gz IFIGFNSESGLUIT-OLZOCXBDSA-N 1 2 291.399 1.250 20 30 CDEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cnnn2C)C1 ZINC001131899081 1163101219 /nfs/dbraw/zinc/10/12/19/1163101219.db2.gz IFIGFNSESGLUIT-OLZOCXBDSA-N 1 2 291.399 1.250 20 30 CDEDLO COc1ccnc(C(=N)Nc2cccn3cc[nH+]c23)n1 ZINC001168421871 1161045149 /nfs/dbraw/zinc/04/51/49/1161045149.db2.gz BJFOLGVFDAYSQX-UHFFFAOYSA-N 1 2 268.280 1.170 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(F)cc(F)c1 ZINC001085961391 1161956170 /nfs/dbraw/zinc/95/61/70/1161956170.db2.gz FBXMLIXPWAHOKP-CQSZACIVSA-N 1 2 278.302 1.744 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(F)cc(F)c1 ZINC001085961391 1161956172 /nfs/dbraw/zinc/95/61/72/1161956172.db2.gz FBXMLIXPWAHOKP-CQSZACIVSA-N 1 2 278.302 1.744 20 30 CDEDLO CC#CCCCC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001113219224 1162130771 /nfs/dbraw/zinc/13/07/71/1162130771.db2.gz YIUQJOGDJSDXDH-UHFFFAOYSA-N 1 2 288.395 1.221 20 30 CDEDLO C#CCCCC(=O)NC[C@@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113581189 1162231009 /nfs/dbraw/zinc/23/10/09/1162231009.db2.gz MEUXLMJQLOWLGY-GFCCVEGCSA-N 1 2 274.368 1.529 20 30 CDEDLO C=C1CCC(C(=O)NCC[NH2+]Cc2csnn2)CC1 ZINC001133362582 1163656055 /nfs/dbraw/zinc/65/60/55/1163656055.db2.gz LVFRLARJIJGQDT-UHFFFAOYSA-N 1 2 280.397 1.490 20 30 CDEDLO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)CCC#N ZINC001609138161 1164785623 /nfs/dbraw/zinc/78/56/23/1164785623.db2.gz ATXAHAUTINVCMT-JTQLQIEISA-N 1 2 256.313 1.773 20 30 CDEDLO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+](C)CCC#N ZINC001609138161 1164785631 /nfs/dbraw/zinc/78/56/31/1164785631.db2.gz ATXAHAUTINVCMT-JTQLQIEISA-N 1 2 256.313 1.773 20 30 CDEDLO CCN(CC#N)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155522281 1167210847 /nfs/dbraw/zinc/21/08/47/1167210847.db2.gz SVERUCRLMOYSKU-CHWSQXEVSA-N 1 2 277.372 1.184 20 30 CDEDLO CO[C@@H]1C[N@H+](Cc2cn3cc(C#N)ccc3n2)C[C@@H]1OC ZINC001237609367 1167395842 /nfs/dbraw/zinc/39/58/42/1167395842.db2.gz QCRXGFVLGQOSMA-OKILXGFUSA-N 1 2 286.335 1.052 20 30 CDEDLO CO[C@@H]1C[N@@H+](Cc2cn3cc(C#N)ccc3n2)C[C@@H]1OC ZINC001237609367 1167395847 /nfs/dbraw/zinc/39/58/47/1167395847.db2.gz QCRXGFVLGQOSMA-OKILXGFUSA-N 1 2 286.335 1.052 20 30 CDEDLO CCS(=O)(=O)C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC001645801665 1167512132 /nfs/dbraw/zinc/51/21/32/1167512132.db2.gz QVNMVSDWPHDCCK-RYUDHWBXSA-N 1 2 270.398 1.578 20 30 CDEDLO CC(C)(C#N)C[NH2+]Cc1csc(-c2nn[nH]n2)c1 ZINC001589035928 1173120430 /nfs/dbraw/zinc/12/04/30/1173120430.db2.gz CONCKYLQTRSYMX-UHFFFAOYSA-N 1 2 262.342 1.568 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001713080886 1178350847 /nfs/dbraw/zinc/35/08/47/1178350847.db2.gz FMQFURJAIHVGAU-PWSUYJOCSA-N 1 2 292.770 1.585 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001713080886 1178350856 /nfs/dbraw/zinc/35/08/56/1178350856.db2.gz FMQFURJAIHVGAU-PWSUYJOCSA-N 1 2 292.770 1.585 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N[C@H](C)CC)C1 ZINC001714919026 1179452706 /nfs/dbraw/zinc/45/27/06/1179452706.db2.gz CCKYRJOCAVCFNA-ZIAGYGMSSA-N 1 2 295.427 1.448 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)N[C@H](C)CC)C1 ZINC001714919026 1179452709 /nfs/dbraw/zinc/45/27/09/1179452709.db2.gz CCKYRJOCAVCFNA-ZIAGYGMSSA-N 1 2 295.427 1.448 20 30 CDEDLO CC#CC[NH2+][C@@H](CNC(=O)C(F)C(F)(F)F)C1CC1 ZINC001752462327 1184866332 /nfs/dbraw/zinc/86/63/32/1184866332.db2.gz CXBQRKLNMWRXGX-UWVGGRQHSA-N 1 2 280.265 1.395 20 30 CDEDLO CC#CC[NH2+][C@@H](CNC(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC001752462327 1184866337 /nfs/dbraw/zinc/86/63/37/1184866337.db2.gz CXBQRKLNMWRXGX-UWVGGRQHSA-N 1 2 280.265 1.395 20 30 CDEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(=C)Cl ZINC001753102667 1185062346 /nfs/dbraw/zinc/06/23/46/1185062346.db2.gz MMRSEJVFWZUBDO-QWHCGFSZSA-N 1 2 284.787 1.358 20 30 CDEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(=C)Cl ZINC001753102667 1185062353 /nfs/dbraw/zinc/06/23/53/1185062353.db2.gz MMRSEJVFWZUBDO-QWHCGFSZSA-N 1 2 284.787 1.358 20 30 CDEDLO CC[C@@H](C)[C@@H](C)C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001753344605 1185162545 /nfs/dbraw/zinc/16/25/45/1185162545.db2.gz LTGCJWPFCRMGTJ-HUUCEWRRSA-N 1 2 294.443 1.268 20 30 CDEDLO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1conc1CC ZINC001753418980 1185195341 /nfs/dbraw/zinc/19/53/41/1185195341.db2.gz XILDISPHLPVYLQ-KBPBESRZSA-N 1 2 289.379 1.988 20 30 CDEDLO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1conc1CC ZINC001753418980 1185195349 /nfs/dbraw/zinc/19/53/49/1185195349.db2.gz XILDISPHLPVYLQ-KBPBESRZSA-N 1 2 289.379 1.988 20 30 CDEDLO C=CCCC(=O)NCC1([NH2+]Cc2ncc(CC)o2)CC1 ZINC001754509652 1185651566 /nfs/dbraw/zinc/65/15/66/1185651566.db2.gz QSJYTVMQWDZUGO-UHFFFAOYSA-N 1 2 277.368 1.942 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2cncc(F)c2)C1 ZINC001754573530 1185671104 /nfs/dbraw/zinc/67/11/04/1185671104.db2.gz PNIUDNMWQICASY-UHFFFAOYSA-N 1 2 293.342 1.180 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N(C)CCC[N@H+](C)Cc1ccon1 ZINC001755036211 1185794852 /nfs/dbraw/zinc/79/48/52/1185794852.db2.gz OTUCGEQANNWGLN-HNNXBMFYSA-N 1 2 295.383 1.282 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N(C)CCC[N@@H+](C)Cc1ccon1 ZINC001755036211 1185794856 /nfs/dbraw/zinc/79/48/56/1185794856.db2.gz OTUCGEQANNWGLN-HNNXBMFYSA-N 1 2 295.383 1.282 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@@H](C)CC)CC2)C1 ZINC001755174786 1185840619 /nfs/dbraw/zinc/84/06/19/1185840619.db2.gz YHMKJRUNYMPXDT-HNNXBMFYSA-N 1 2 292.423 1.749 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C[C@@H](C)CC)CC2)C1 ZINC001755174786 1185840626 /nfs/dbraw/zinc/84/06/26/1185840626.db2.gz YHMKJRUNYMPXDT-HNNXBMFYSA-N 1 2 292.423 1.749 20 30 CDEDLO C=CCCCC(=O)NC[C@H](C)[N@H+](C)Cc1cnnn1C ZINC001755313014 1185910477 /nfs/dbraw/zinc/91/04/77/1185910477.db2.gz HZPATEFBFRXLCT-LBPRGKRZSA-N 1 2 279.388 1.108 20 30 CDEDLO C=CCCCC(=O)NC[C@H](C)[N@@H+](C)Cc1cnnn1C ZINC001755313014 1185910481 /nfs/dbraw/zinc/91/04/81/1185910481.db2.gz HZPATEFBFRXLCT-LBPRGKRZSA-N 1 2 279.388 1.108 20 30 CDEDLO C=CCC[N@@H+](C)[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001755324458 1185917747 /nfs/dbraw/zinc/91/77/47/1185917747.db2.gz MIPQFYWKKPTULR-NSHDSACASA-N 1 2 264.373 1.273 20 30 CDEDLO C=CCC[N@H+](C)[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001755324458 1185917751 /nfs/dbraw/zinc/91/77/51/1185917751.db2.gz MIPQFYWKKPTULR-NSHDSACASA-N 1 2 264.373 1.273 20 30 CDEDLO CCc1nc(C#N)cc(NCc2ccc(N)[nH+]c2)n1 ZINC000308395867 1186662415 /nfs/dbraw/zinc/66/24/15/1186662415.db2.gz ZXKXOPXAUNGKPO-UHFFFAOYSA-N 1 2 254.297 1.500 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2cc(C)cn2c1 ZINC001038333025 697788854 /nfs/dbraw/zinc/78/88/54/697788854.db2.gz NNCGYDJJUGDATL-INIZCTEOSA-N 1 2 281.359 1.685 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2cc(C)cn2c1 ZINC001038333025 697788861 /nfs/dbraw/zinc/78/88/61/697788861.db2.gz NNCGYDJJUGDATL-INIZCTEOSA-N 1 2 281.359 1.685 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)c1 ZINC000874892402 697796464 /nfs/dbraw/zinc/79/64/64/697796464.db2.gz GJSRIWFHNZTBQP-HNNXBMFYSA-N 1 2 298.321 1.812 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)onc1C1CC1 ZINC001038526414 697804088 /nfs/dbraw/zinc/80/40/88/697804088.db2.gz MEZXSUJDMFUPPO-GFCCVEGCSA-N 1 2 275.352 1.851 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)onc1C1CC1 ZINC001038526414 697804089 /nfs/dbraw/zinc/80/40/89/697804089.db2.gz MEZXSUJDMFUPPO-GFCCVEGCSA-N 1 2 275.352 1.851 20 30 CDEDLO CCCn1cc(C[NH2+]Cc2cccc(C#N)c2)nn1 ZINC000714458413 697810946 /nfs/dbraw/zinc/81/09/46/697810946.db2.gz RCNXHAOKFUQBCM-UHFFFAOYSA-N 1 2 255.325 1.850 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2cccc(OC)c2)C1 ZINC001031345440 697828790 /nfs/dbraw/zinc/82/87/90/697828790.db2.gz SAXLJRJCFYBMHG-UHFFFAOYSA-N 1 2 272.348 1.061 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2cc(COC)cs2)C1 ZINC001030617504 697838295 /nfs/dbraw/zinc/83/82/95/697838295.db2.gz CWPLBBFRNDUUHB-UHFFFAOYSA-N 1 2 280.393 1.885 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(=O)ccoc2c1 ZINC001038927377 697842870 /nfs/dbraw/zinc/84/28/70/697842870.db2.gz VEBHYAPXRRZJQN-CYBMUJFWSA-N 1 2 298.342 1.783 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(=O)ccoc2c1 ZINC001038927377 697842873 /nfs/dbraw/zinc/84/28/73/697842873.db2.gz VEBHYAPXRRZJQN-CYBMUJFWSA-N 1 2 298.342 1.783 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccn2)c1 ZINC001038155095 697844456 /nfs/dbraw/zinc/84/44/56/697844456.db2.gz WIRLNKVLJJJMRE-CQSZACIVSA-N 1 2 295.346 1.286 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccn2)c1 ZINC001038155095 697844457 /nfs/dbraw/zinc/84/44/57/697844457.db2.gz WIRLNKVLJJJMRE-CQSZACIVSA-N 1 2 295.346 1.286 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2CCCC2)C1 ZINC001035263720 697868621 /nfs/dbraw/zinc/86/86/21/697868621.db2.gz SBPHUEWHEVWNTL-AWEZNQCLSA-N 1 2 266.385 1.570 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C2CCCC2)C1 ZINC001035263720 697868624 /nfs/dbraw/zinc/86/86/24/697868624.db2.gz SBPHUEWHEVWNTL-AWEZNQCLSA-N 1 2 266.385 1.570 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCO[C@@H]2C)CC1 ZINC001001307635 697873145 /nfs/dbraw/zinc/87/31/45/697873145.db2.gz VLDCTDDEJAMNRA-TZMCWYRMSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCO[C@@H]2C)CC1 ZINC001001307635 697873146 /nfs/dbraw/zinc/87/31/46/697873146.db2.gz VLDCTDDEJAMNRA-TZMCWYRMSA-N 1 2 298.814 1.912 20 30 CDEDLO C[C@H]1C[C@H](NCC#N)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC001044678754 697885886 /nfs/dbraw/zinc/88/58/86/697885886.db2.gz YMGYGWQMFGBWFS-QWHCGFSZSA-N 1 2 297.362 1.441 20 30 CDEDLO Cc1ccn(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c(=O)c1C#N ZINC000789509772 697895395 /nfs/dbraw/zinc/89/53/95/697895395.db2.gz VPSCCFPLAGAHQO-LSDHHAIUSA-N 1 2 287.363 1.629 20 30 CDEDLO Cc1ccn(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c(=O)c1C#N ZINC000789509772 697895396 /nfs/dbraw/zinc/89/53/96/697895396.db2.gz VPSCCFPLAGAHQO-LSDHHAIUSA-N 1 2 287.363 1.629 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1[C@@H]3CCC[C@@H]31)O2 ZINC001053587377 697899083 /nfs/dbraw/zinc/89/90/83/697899083.db2.gz BGZNNJOGSOIZIJ-KBXIAJHMSA-N 1 2 290.407 1.568 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cncs1)CCO2 ZINC001053173758 697909646 /nfs/dbraw/zinc/90/96/46/697909646.db2.gz JYDXUWQNCWXPBO-UHFFFAOYSA-N 1 2 293.392 1.246 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C2CC2)no1 ZINC001038753614 697949052 /nfs/dbraw/zinc/94/90/52/697949052.db2.gz VBLXZYHOCNZLIB-NSHDSACASA-N 1 2 261.325 1.542 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C2CC2)no1 ZINC001038753614 697949063 /nfs/dbraw/zinc/94/90/63/697949063.db2.gz VBLXZYHOCNZLIB-NSHDSACASA-N 1 2 261.325 1.542 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2[nH]cnc2CC)C1 ZINC001046800920 697952872 /nfs/dbraw/zinc/95/28/72/697952872.db2.gz CFTACAHOYQCBAO-CQSZACIVSA-N 1 2 296.802 1.919 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2[nH]cnc2CC)C1 ZINC001046800920 697952882 /nfs/dbraw/zinc/95/28/82/697952882.db2.gz CFTACAHOYQCBAO-CQSZACIVSA-N 1 2 296.802 1.919 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)CCC(=O)c2ccccn2)C1 ZINC000923565542 697955727 /nfs/dbraw/zinc/95/57/27/697955727.db2.gz IMIIVYIYUFIDQO-CQSZACIVSA-N 1 2 299.374 1.258 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCC(=O)c2ccccn2)C1 ZINC000923565542 697955741 /nfs/dbraw/zinc/95/57/41/697955741.db2.gz IMIIVYIYUFIDQO-CQSZACIVSA-N 1 2 299.374 1.258 20 30 CDEDLO C#CCOc1ccc(C(=O)NC2C[NH+](CC(=C)C)C2)cc1 ZINC001031066177 698009139 /nfs/dbraw/zinc/00/91/39/698009139.db2.gz USHKVXBKBXXOJO-UHFFFAOYSA-N 1 2 284.359 1.689 20 30 CDEDLO C#Cc1cccc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000837105422 698016137 /nfs/dbraw/zinc/01/61/37/698016137.db2.gz NMWUCDMICLXDPK-OAHLLOKOSA-N 1 2 279.343 1.743 20 30 CDEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3cc[nH]c3)c2C1 ZINC001069861937 698034331 /nfs/dbraw/zinc/03/43/31/698034331.db2.gz QZGNLGRKEBILRY-UHFFFAOYSA-N 1 2 299.378 1.533 20 30 CDEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3cc[nH]c3)c2C1 ZINC001069861937 698034332 /nfs/dbraw/zinc/03/43/32/698034332.db2.gz QZGNLGRKEBILRY-UHFFFAOYSA-N 1 2 299.378 1.533 20 30 CDEDLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029180238 698167902 /nfs/dbraw/zinc/16/79/02/698167902.db2.gz GXZYAQJCTKWFRY-TXEJJXNPSA-N 1 2 275.377 1.815 20 30 CDEDLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029180238 698167906 /nfs/dbraw/zinc/16/79/06/698167906.db2.gz GXZYAQJCTKWFRY-TXEJJXNPSA-N 1 2 275.377 1.815 20 30 CDEDLO C#Cc1cncc(C(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000806418643 698221525 /nfs/dbraw/zinc/22/15/25/698221525.db2.gz DOGKFRCRXIWOJS-UHFFFAOYSA-N 1 2 294.358 1.568 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)c3cccn32)C1 ZINC000923561286 698243386 /nfs/dbraw/zinc/24/33/86/698243386.db2.gz XDUYVKKCBYFQFG-DZGCQCFKSA-N 1 2 299.374 1.220 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)c3cccn32)C1 ZINC000923561286 698243399 /nfs/dbraw/zinc/24/33/99/698243399.db2.gz XDUYVKKCBYFQFG-DZGCQCFKSA-N 1 2 299.374 1.220 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cnn(C)c2)C1 ZINC001034096037 698243857 /nfs/dbraw/zinc/24/38/57/698243857.db2.gz BLFFUFXMINMQNT-ZDUSSCGKSA-N 1 2 296.802 1.757 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cnn(C)c2)C1 ZINC001034096037 698243865 /nfs/dbraw/zinc/24/38/65/698243865.db2.gz BLFFUFXMINMQNT-ZDUSSCGKSA-N 1 2 296.802 1.757 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccncc2C)C1 ZINC001035367828 698252415 /nfs/dbraw/zinc/25/24/15/698252415.db2.gz MUKJUHPORSEQBK-CYBMUJFWSA-N 1 2 275.352 1.007 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccncc2C)C1 ZINC001035367828 698252429 /nfs/dbraw/zinc/25/24/29/698252429.db2.gz MUKJUHPORSEQBK-CYBMUJFWSA-N 1 2 275.352 1.007 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2nn(C)c(C)c2Cl)C1 ZINC001043987057 698254061 /nfs/dbraw/zinc/25/40/61/698254061.db2.gz UKBZEJNHOJLYPZ-UHFFFAOYSA-N 1 2 296.802 1.714 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1c(C)onc1CC ZINC000818003515 698278331 /nfs/dbraw/zinc/27/83/31/698278331.db2.gz SWJMWLSVPVJJJX-AWEZNQCLSA-N 1 2 275.352 1.259 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1c(C)onc1CC ZINC000818003515 698278337 /nfs/dbraw/zinc/27/83/37/698278337.db2.gz SWJMWLSVPVJJJX-AWEZNQCLSA-N 1 2 275.352 1.259 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(F)c(F)cc2F)C1 ZINC001030866216 698297542 /nfs/dbraw/zinc/29/75/42/698297542.db2.gz BUWLTXUBSUWORM-UHFFFAOYSA-N 1 2 282.265 1.541 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccns1)CCO2 ZINC001053277401 698305727 /nfs/dbraw/zinc/30/57/27/698305727.db2.gz PUBYGIUWAZCRCS-UHFFFAOYSA-N 1 2 293.392 1.246 20 30 CDEDLO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1nc(N)nc(Cl)n1 ZINC000852103378 698317798 /nfs/dbraw/zinc/31/77/98/698317798.db2.gz FZYBZIYROTZJJS-CPCISQLKSA-N 1 2 253.737 1.560 20 30 CDEDLO C#CCCCCNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000840324638 698340961 /nfs/dbraw/zinc/34/09/61/698340961.db2.gz UIEGBBWHUOUCON-UHFFFAOYSA-N 1 2 281.400 1.200 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001043946349 698355845 /nfs/dbraw/zinc/35/58/45/698355845.db2.gz FGBDNEVJPXTNEX-UHFFFAOYSA-N 1 2 274.368 1.313 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccccc1F ZINC001032688710 698359679 /nfs/dbraw/zinc/35/96/79/698359679.db2.gz LXEMTSYELAUZKC-IHRRRGAJSA-N 1 2 286.350 1.848 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccccc1F ZINC001032688710 698359683 /nfs/dbraw/zinc/35/96/83/698359683.db2.gz LXEMTSYELAUZKC-IHRRRGAJSA-N 1 2 286.350 1.848 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC001030592603 698362360 /nfs/dbraw/zinc/36/23/60/698362360.db2.gz GMTHKJQEGRUQQU-UHFFFAOYSA-N 1 2 276.384 1.628 20 30 CDEDLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000876582435 698363024 /nfs/dbraw/zinc/36/30/24/698363024.db2.gz ZGTTYLSEZZWTCW-CQSZACIVSA-N 1 2 288.351 1.664 20 30 CDEDLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000876582435 698363029 /nfs/dbraw/zinc/36/30/29/698363029.db2.gz ZGTTYLSEZZWTCW-CQSZACIVSA-N 1 2 288.351 1.664 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(N)=O)cs1 ZINC001039048498 698397021 /nfs/dbraw/zinc/39/70/21/698397021.db2.gz JLUSFRVJOMXFEF-NSHDSACASA-N 1 2 293.392 1.227 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1cc(C(N)=O)cs1 ZINC001039048498 698397027 /nfs/dbraw/zinc/39/70/27/698397027.db2.gz JLUSFRVJOMXFEF-NSHDSACASA-N 1 2 293.392 1.227 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CCC)cc1 ZINC000093771652 698398942 /nfs/dbraw/zinc/39/89/42/698398942.db2.gz JUWJBHKGKZMGPX-INIZCTEOSA-N 1 2 286.375 1.799 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CCC)cc1 ZINC000093771652 698398951 /nfs/dbraw/zinc/39/89/51/698398951.db2.gz JUWJBHKGKZMGPX-INIZCTEOSA-N 1 2 286.375 1.799 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879762503 698461740 /nfs/dbraw/zinc/46/17/40/698461740.db2.gz IAIADNHWPHUKGU-SNVBAGLBSA-N 1 2 250.264 1.705 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879762503 698461751 /nfs/dbraw/zinc/46/17/51/698461751.db2.gz IAIADNHWPHUKGU-SNVBAGLBSA-N 1 2 250.264 1.705 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2sccc2[nH]1 ZINC001032714470 698422359 /nfs/dbraw/zinc/42/23/59/698422359.db2.gz GKVBNIYSNLNSPN-QWRGUYRKSA-N 1 2 285.372 1.761 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2sccc2[nH]1 ZINC001032714470 698422382 /nfs/dbraw/zinc/42/23/82/698422382.db2.gz GKVBNIYSNLNSPN-QWRGUYRKSA-N 1 2 285.372 1.761 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2cccc(OCC)c2)CC1 ZINC000859357706 698424952 /nfs/dbraw/zinc/42/49/52/698424952.db2.gz WLUHWZAREJDEKP-HJWRWDBZSA-N 1 2 298.386 1.876 20 30 CDEDLO COC(=O)[C@H]([NH2+]CCO[C@H](C)C#N)[C@@H]1CCC[C@H](OC)C1 ZINC000844447201 698504674 /nfs/dbraw/zinc/50/46/74/698504674.db2.gz QEJWKGJYTGTYCH-YIYPIFLZSA-N 1 2 298.383 1.251 20 30 CDEDLO C=CC[N@H+]1CCC[C@H](NC(=O)c2cnc(COC)s2)C1 ZINC001009746169 698523328 /nfs/dbraw/zinc/52/33/28/698523328.db2.gz UKPFRPMSVYHBOG-NSHDSACASA-N 1 2 295.408 1.670 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cnc(COC)s2)C1 ZINC001009746169 698523333 /nfs/dbraw/zinc/52/33/33/698523333.db2.gz UKPFRPMSVYHBOG-NSHDSACASA-N 1 2 295.408 1.670 20 30 CDEDLO C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc3[nH]nnc3c2)[C@@H]1C ZINC000994403652 698583811 /nfs/dbraw/zinc/58/38/11/698583811.db2.gz RQEIFSIQDFVYCH-AAEUAGOBSA-N 1 2 299.378 1.727 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3[nH]nnc3c2)[C@@H]1C ZINC000994403652 698583819 /nfs/dbraw/zinc/58/38/19/698583819.db2.gz RQEIFSIQDFVYCH-AAEUAGOBSA-N 1 2 299.378 1.727 20 30 CDEDLO N#Cc1nc(NC2CC[NH+](CC(N)=O)CC2)sc1Cl ZINC000853121548 698608560 /nfs/dbraw/zinc/60/85/60/698608560.db2.gz GRQHGDUZTFWYQL-UHFFFAOYSA-N 1 2 299.787 1.030 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnco1 ZINC001051049664 698633346 /nfs/dbraw/zinc/63/33/46/698633346.db2.gz QUTAUUKJECXCLG-LBPRGKRZSA-N 1 2 279.340 1.071 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnco1 ZINC001051049664 698633350 /nfs/dbraw/zinc/63/33/50/698633350.db2.gz QUTAUUKJECXCLG-LBPRGKRZSA-N 1 2 279.340 1.071 20 30 CDEDLO Cc1cc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@@H](C)C#N)no1 ZINC000960493492 698650653 /nfs/dbraw/zinc/65/06/53/698650653.db2.gz KSOCBPWNOGBIPG-SMDDNHRTSA-N 1 2 290.367 1.566 20 30 CDEDLO Cc1cc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@@H](C)C#N)no1 ZINC000960493492 698650661 /nfs/dbraw/zinc/65/06/61/698650661.db2.gz KSOCBPWNOGBIPG-SMDDNHRTSA-N 1 2 290.367 1.566 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OCC)cc1 ZINC001038977381 698655868 /nfs/dbraw/zinc/65/58/68/698655868.db2.gz PBRMZRDMYRFJJF-CQSZACIVSA-N 1 2 272.348 1.523 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OCC)cc1 ZINC001038977381 698655878 /nfs/dbraw/zinc/65/58/78/698655878.db2.gz PBRMZRDMYRFJJF-CQSZACIVSA-N 1 2 272.348 1.523 20 30 CDEDLO C[NH+](C)[C@@H](C(=O)OCCOCCC#N)c1ccccc1 ZINC000815229688 698670206 /nfs/dbraw/zinc/67/02/06/698670206.db2.gz JLEGKUAMWLMWTO-CQSZACIVSA-N 1 2 276.336 1.763 20 30 CDEDLO O=C(C#Cc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000080470593 698707157 /nfs/dbraw/zinc/70/71/57/698707157.db2.gz QDKZETJOIBMNFO-UHFFFAOYSA-N 1 2 291.354 1.782 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cccc(OC)c2)C1 ZINC001044257264 698786700 /nfs/dbraw/zinc/78/67/00/698786700.db2.gz GGLXOKVTVFRWNF-UHFFFAOYSA-N 1 2 274.364 1.566 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cccc(C#N)n2)C1 ZINC000811460841 698796096 /nfs/dbraw/zinc/79/60/96/698796096.db2.gz AULPPFWJPBCVIH-GFCCVEGCSA-N 1 2 295.346 1.707 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1CC ZINC000884043944 698808380 /nfs/dbraw/zinc/80/83/80/698808380.db2.gz OZLSNWLFRPVMPD-RYUDHWBXSA-N 1 2 268.357 1.224 20 30 CDEDLO CN(C)c1[nH+]cc(CN=Nc2ncc(Cl)cn2)n1C ZINC000857221425 698808556 /nfs/dbraw/zinc/80/85/56/698808556.db2.gz ZNCYRFIRHUVSGE-UHFFFAOYSA-N 1 2 279.735 1.376 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(F)(F)C[C@H]1C ZINC000884436575 698829326 /nfs/dbraw/zinc/82/93/26/698829326.db2.gz ISBRVAOVBSIKQQ-ZJUUUORDSA-N 1 2 290.310 1.079 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(N(C)C)cc1F ZINC001038346433 698830459 /nfs/dbraw/zinc/83/04/59/698830459.db2.gz QEYSIUYVVYUEBH-CYBMUJFWSA-N 1 2 289.354 1.329 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N(C)C)cc1F ZINC001038346433 698830460 /nfs/dbraw/zinc/83/04/60/698830460.db2.gz QEYSIUYVVYUEBH-CYBMUJFWSA-N 1 2 289.354 1.329 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C\c1ccc[nH]1 ZINC001017502228 698843880 /nfs/dbraw/zinc/84/38/80/698843880.db2.gz DNTJWIXOASNFLQ-ZMAHGOAUSA-N 1 2 269.348 1.336 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C\c1ccc[nH]1 ZINC001017502228 698843883 /nfs/dbraw/zinc/84/38/83/698843883.db2.gz DNTJWIXOASNFLQ-ZMAHGOAUSA-N 1 2 269.348 1.336 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cn(C)nn2)C1 ZINC001033811700 698876816 /nfs/dbraw/zinc/87/68/16/698876816.db2.gz DRAQULVGXHOXGP-LLVKDONJSA-N 1 2 297.790 1.104 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cn(C)nn2)C1 ZINC001033811700 698876817 /nfs/dbraw/zinc/87/68/17/698876817.db2.gz DRAQULVGXHOXGP-LLVKDONJSA-N 1 2 297.790 1.104 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2ccccc2O1 ZINC001038820757 698891668 /nfs/dbraw/zinc/89/16/68/698891668.db2.gz MFOGNLHUDZKJFH-GOEBONIOSA-N 1 2 284.359 1.204 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2ccccc2O1 ZINC001038820757 698891669 /nfs/dbraw/zinc/89/16/69/698891669.db2.gz MFOGNLHUDZKJFH-GOEBONIOSA-N 1 2 284.359 1.204 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)c(F)c(C)c1 ZINC001039028767 698894136 /nfs/dbraw/zinc/89/41/36/698894136.db2.gz MJOILDIIFOQPLF-CQSZACIVSA-N 1 2 274.339 1.880 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)c(F)c(C)c1 ZINC001039028767 698894139 /nfs/dbraw/zinc/89/41/39/698894139.db2.gz MJOILDIIFOQPLF-CQSZACIVSA-N 1 2 274.339 1.880 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000931641849 698896248 /nfs/dbraw/zinc/89/62/48/698896248.db2.gz VPASSJAMYXPHDT-ZDUSSCGKSA-N 1 2 254.374 1.379 20 30 CDEDLO C[C@H](CC(=O)Nc1cnn(CC#N)c1)n1cc[nH+]c1 ZINC000845345778 698907203 /nfs/dbraw/zinc/90/72/03/698907203.db2.gz XENJWMOGQJJCPR-SNVBAGLBSA-N 1 2 258.285 1.193 20 30 CDEDLO CC[N@H+](CCS(C)(=O)=O)Cc1cccc(C#N)c1 ZINC000194987712 698913861 /nfs/dbraw/zinc/91/38/61/698913861.db2.gz DTTQPXSJZLLSBG-UHFFFAOYSA-N 1 2 266.366 1.425 20 30 CDEDLO CC[N@@H+](CCS(C)(=O)=O)Cc1cccc(C#N)c1 ZINC000194987712 698913868 /nfs/dbraw/zinc/91/38/68/698913868.db2.gz DTTQPXSJZLLSBG-UHFFFAOYSA-N 1 2 266.366 1.425 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)cn1 ZINC001017496404 698992011 /nfs/dbraw/zinc/99/20/11/698992011.db2.gz QGJMUNILMRCISH-BETUJISGSA-N 1 2 273.311 1.143 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)cn1 ZINC001017496404 698992017 /nfs/dbraw/zinc/99/20/17/698992017.db2.gz QGJMUNILMRCISH-BETUJISGSA-N 1 2 273.311 1.143 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1cccc(CC)c1 ZINC001032768468 704817091 /nfs/dbraw/zinc/81/70/91/704817091.db2.gz JETFWUYNHSAOQF-HOTGVXAUSA-N 1 2 298.386 1.546 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1cccc(CC)c1 ZINC001032768468 704817092 /nfs/dbraw/zinc/81/70/92/704817092.db2.gz JETFWUYNHSAOQF-HOTGVXAUSA-N 1 2 298.386 1.546 20 30 CDEDLO N#C[C@@H]1CCCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000922078541 704853494 /nfs/dbraw/zinc/85/34/94/704853494.db2.gz DUALUPXUGBDXBH-RYUDHWBXSA-N 1 2 273.340 1.143 20 30 CDEDLO C#CCC(C)(C)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000790128776 704854178 /nfs/dbraw/zinc/85/41/78/704854178.db2.gz UCDLYJJVVXQIGU-ZDUSSCGKSA-N 1 2 266.385 1.215 20 30 CDEDLO C#CC[N@@H+](C)[C@H]1CCCN(C(=O)c2cccc3nn[nH]c32)C1 ZINC001027423457 704861064 /nfs/dbraw/zinc/86/10/64/704861064.db2.gz FBGOOJHUPHWADB-LBPRGKRZSA-N 1 2 297.362 1.128 20 30 CDEDLO C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2cccc3nn[nH]c32)C1 ZINC001027423457 704861065 /nfs/dbraw/zinc/86/10/65/704861065.db2.gz FBGOOJHUPHWADB-LBPRGKRZSA-N 1 2 297.362 1.128 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001032494110 704888224 /nfs/dbraw/zinc/88/82/24/704888224.db2.gz DESJVTYJUKCEJL-RYUDHWBXSA-N 1 2 286.379 1.239 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001032494110 704888225 /nfs/dbraw/zinc/88/82/25/704888225.db2.gz DESJVTYJUKCEJL-RYUDHWBXSA-N 1 2 286.379 1.239 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cccn1CC ZINC001051249263 704914502 /nfs/dbraw/zinc/91/45/02/704914502.db2.gz MMQSEVLJVKEJLV-CQSZACIVSA-N 1 2 291.395 1.515 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccn1CC ZINC001051249263 704914511 /nfs/dbraw/zinc/91/45/11/704914511.db2.gz MMQSEVLJVKEJLV-CQSZACIVSA-N 1 2 291.395 1.515 20 30 CDEDLO C=C(C)C[N@H+](C)CN1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1=O ZINC000840041475 704920121 /nfs/dbraw/zinc/92/01/21/704920121.db2.gz KGOINAQQHCCPIR-DVZHBHJUSA-N 1 2 276.380 1.873 20 30 CDEDLO C=C(C)C[N@@H+](C)CN1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1=O ZINC000840041475 704920140 /nfs/dbraw/zinc/92/01/40/704920140.db2.gz KGOINAQQHCCPIR-DVZHBHJUSA-N 1 2 276.380 1.873 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C)[C@@H]1CCC ZINC000884160994 704927436 /nfs/dbraw/zinc/92/74/36/704927436.db2.gz TZRHZFDROZXEAC-IHRRRGAJSA-N 1 2 296.411 1.860 20 30 CDEDLO C=CC[N@H+](CN1C[C@@H](C2CC2)CC1=O)[C@H](C)COC ZINC000853535608 704939529 /nfs/dbraw/zinc/93/95/29/704939529.db2.gz XJBALPYJAMSCED-OCCSQVGLSA-N 1 2 266.385 1.725 20 30 CDEDLO C=CC[N@@H+](CN1C[C@@H](C2CC2)CC1=O)[C@H](C)COC ZINC000853535608 704939542 /nfs/dbraw/zinc/93/95/42/704939542.db2.gz XJBALPYJAMSCED-OCCSQVGLSA-N 1 2 266.385 1.725 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2cccnc21 ZINC001032501971 704996281 /nfs/dbraw/zinc/99/62/81/704996281.db2.gz GEALRDYOWKWNOO-GJZGRUSLSA-N 1 2 291.354 1.767 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2cccnc21 ZINC001032501971 704996285 /nfs/dbraw/zinc/99/62/85/704996285.db2.gz GEALRDYOWKWNOO-GJZGRUSLSA-N 1 2 291.354 1.767 20 30 CDEDLO C#CC[C@@H]([NH2+]C1CCC(CC(=O)OC)CC1)C(=O)OC ZINC000862390754 705027783 /nfs/dbraw/zinc/02/77/83/705027783.db2.gz CGMJNQHSJDXNCV-WXRRBKDZSA-N 1 2 281.352 1.263 20 30 CDEDLO CC(C)[C@]1(C)CC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853525485 705046332 /nfs/dbraw/zinc/04/63/32/705046332.db2.gz WTCILGIZAFGGCI-BBRMVZONSA-N 1 2 291.395 1.991 20 30 CDEDLO CC(C)[C@]1(C)CC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853525485 705046341 /nfs/dbraw/zinc/04/63/41/705046341.db2.gz WTCILGIZAFGGCI-BBRMVZONSA-N 1 2 291.395 1.991 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncoc1C1CC1 ZINC001038882816 705166211 /nfs/dbraw/zinc/16/62/11/705166211.db2.gz ROQURZWCOJBQPD-LLVKDONJSA-N 1 2 261.325 1.542 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ncoc1C1CC1 ZINC001038882816 705166218 /nfs/dbraw/zinc/16/62/18/705166218.db2.gz ROQURZWCOJBQPD-LLVKDONJSA-N 1 2 261.325 1.542 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc([C@H](C)O)s2)C1 ZINC000923562303 705290050 /nfs/dbraw/zinc/29/00/50/705290050.db2.gz UUTXKABZZXSXAZ-QWRGUYRKSA-N 1 2 293.392 1.024 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc([C@H](C)O)s2)C1 ZINC000923562303 705290059 /nfs/dbraw/zinc/29/00/59/705290059.db2.gz UUTXKABZZXSXAZ-QWRGUYRKSA-N 1 2 293.392 1.024 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCCC(C)(C)[C@H]1C#N ZINC001626934247 1165968018 /nfs/dbraw/zinc/96/80/18/1165968018.db2.gz DWBIBGHHVARKIX-GFCCVEGCSA-N 1 2 260.341 1.801 20 30 CDEDLO Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C2)no1 ZINC001206641538 1167094701 /nfs/dbraw/zinc/09/47/01/1167094701.db2.gz VTNDVJIFCMCYAV-OPQQBVKSSA-N 1 2 276.340 1.079 20 30 CDEDLO Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C2)no1 ZINC001206641538 1167094709 /nfs/dbraw/zinc/09/47/09/1167094709.db2.gz VTNDVJIFCMCYAV-OPQQBVKSSA-N 1 2 276.340 1.079 20 30 CDEDLO N#Cc1ccc(O)c(C[NH+]2CC3(C2)CCOCC3)c1 ZINC001232676923 1167389847 /nfs/dbraw/zinc/38/98/47/1167389847.db2.gz VEVDWAYJJZCMJS-UHFFFAOYSA-N 1 2 258.321 1.876 20 30 CDEDLO CC(=O)NC1CC[NH+](Cc2cc(C#N)c(F)cc2F)CC1 ZINC001237529447 1167394813 /nfs/dbraw/zinc/39/48/13/1167394813.db2.gz DRNFUDLHDAYBLE-UHFFFAOYSA-N 1 2 293.317 1.937 20 30 CDEDLO N#Cc1c2c(cn(C[N@H+]3CCC[C@H](CF)C3)c1=O)CCC2 ZINC001646173351 1167679422 /nfs/dbraw/zinc/67/94/22/1167679422.db2.gz QHAZQRROBFNAKL-GFCCVEGCSA-N 1 2 289.354 1.848 20 30 CDEDLO N#Cc1c2c(cn(C[N@@H+]3CCC[C@H](CF)C3)c1=O)CCC2 ZINC001646173351 1167679425 /nfs/dbraw/zinc/67/94/25/1167679425.db2.gz QHAZQRROBFNAKL-GFCCVEGCSA-N 1 2 289.354 1.848 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(Br)c1 ZINC001038328770 848039648 /nfs/dbraw/zinc/03/96/48/848039648.db2.gz PAXLOZQCVOCNIJ-SNVBAGLBSA-N 1 2 297.152 1.479 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(Br)c1 ZINC001038328770 848039652 /nfs/dbraw/zinc/03/96/52/848039652.db2.gz PAXLOZQCVOCNIJ-SNVBAGLBSA-N 1 2 297.152 1.479 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cn(CCC)nc2C)C1 ZINC001031144239 848052895 /nfs/dbraw/zinc/05/28/95/848052895.db2.gz UCYFMBLYDAYAKM-UHFFFAOYSA-N 1 2 276.384 1.592 20 30 CDEDLO C#CCCCCCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000803514549 848083219 /nfs/dbraw/zinc/08/32/19/848083219.db2.gz HNQZQJJMMWTTRI-HOTGVXAUSA-N 1 2 292.423 1.892 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2ccccc2c1O ZINC001038446240 848118856 /nfs/dbraw/zinc/11/88/56/848118856.db2.gz ORMZNPCMDCURFB-LBPRGKRZSA-N 1 2 297.358 1.518 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2ccccc2c1O ZINC001038446240 848118860 /nfs/dbraw/zinc/11/88/60/848118860.db2.gz ORMZNPCMDCURFB-LBPRGKRZSA-N 1 2 297.358 1.518 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)oc(C)c1C ZINC001038486230 848140220 /nfs/dbraw/zinc/14/02/20/848140220.db2.gz SQSFUVOKEZMXAJ-ZDUSSCGKSA-N 1 2 260.337 1.642 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)oc(C)c1C ZINC001038486230 848140225 /nfs/dbraw/zinc/14/02/25/848140225.db2.gz SQSFUVOKEZMXAJ-ZDUSSCGKSA-N 1 2 260.337 1.642 20 30 CDEDLO Cn1c(C#N)ccc1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000835373139 848140451 /nfs/dbraw/zinc/14/04/51/848140451.db2.gz ZVQPMHQBQILUCA-NSHDSACASA-N 1 2 265.288 1.097 20 30 CDEDLO Cn1c(C#N)ccc1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000835373139 848140456 /nfs/dbraw/zinc/14/04/56/848140456.db2.gz ZVQPMHQBQILUCA-NSHDSACASA-N 1 2 265.288 1.097 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001035574606 848215612 /nfs/dbraw/zinc/21/56/12/848215612.db2.gz NAAZICQYDXWMAV-CYBMUJFWSA-N 1 2 289.379 1.120 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001035574606 848215623 /nfs/dbraw/zinc/21/56/23/848215623.db2.gz NAAZICQYDXWMAV-CYBMUJFWSA-N 1 2 289.379 1.120 20 30 CDEDLO C=C(Br)C[N@H+](CC)CCOCCO ZINC000379360049 848234940 /nfs/dbraw/zinc/23/49/40/848234940.db2.gz AUWXICNJILCLAZ-UHFFFAOYSA-N 1 2 252.152 1.226 20 30 CDEDLO C=C(Br)C[N@@H+](CC)CCOCCO ZINC000379360049 848234950 /nfs/dbraw/zinc/23/49/50/848234950.db2.gz AUWXICNJILCLAZ-UHFFFAOYSA-N 1 2 252.152 1.226 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)n2cccn2)C1 ZINC001032932857 848235769 /nfs/dbraw/zinc/23/57/69/848235769.db2.gz UVTFRTMPWAHCQC-STQMWFEESA-N 1 2 296.802 1.729 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)n2cccn2)C1 ZINC001032932857 848235774 /nfs/dbraw/zinc/23/57/74/848235774.db2.gz UVTFRTMPWAHCQC-STQMWFEESA-N 1 2 296.802 1.729 20 30 CDEDLO CCCCCCCCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178724582 848291541 /nfs/dbraw/zinc/29/15/41/848291541.db2.gz CEOBCBYLLZBNGZ-OAHLLOKOSA-N 1 2 281.444 1.853 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(F)F)nn1C ZINC001038506641 848293960 /nfs/dbraw/zinc/29/39/60/848293960.db2.gz ABQDQDJQLUEVTN-SNVBAGLBSA-N 1 2 296.321 1.185 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(F)F)nn1C ZINC001038506641 848293973 /nfs/dbraw/zinc/29/39/73/848293973.db2.gz ABQDQDJQLUEVTN-SNVBAGLBSA-N 1 2 296.321 1.185 20 30 CDEDLO C=CC[N@@H+]1CCCO[C@@H](CNC(=O)c2[nH]nc(C)c2C)C1 ZINC001073558217 848344050 /nfs/dbraw/zinc/34/40/50/848344050.db2.gz CQIKXYUMLRJIHK-ZDUSSCGKSA-N 1 2 292.383 1.033 20 30 CDEDLO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2[nH]nc(C)c2C)C1 ZINC001073558217 848344062 /nfs/dbraw/zinc/34/40/62/848344062.db2.gz CQIKXYUMLRJIHK-ZDUSSCGKSA-N 1 2 292.383 1.033 20 30 CDEDLO C#CCCOC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000858875735 848374147 /nfs/dbraw/zinc/37/41/47/848374147.db2.gz JVRXQFJDKKRRJR-UHFFFAOYSA-N 1 2 259.309 1.364 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C2CC2)nn1C ZINC001038307138 848389104 /nfs/dbraw/zinc/38/91/04/848389104.db2.gz TYPDKDYCJOZORX-ZDUSSCGKSA-N 1 2 286.379 1.125 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C2CC2)nn1C ZINC001038307138 848389110 /nfs/dbraw/zinc/38/91/10/848389110.db2.gz TYPDKDYCJOZORX-ZDUSSCGKSA-N 1 2 286.379 1.125 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(OC)cc2OC)C1 ZINC001031304239 848460774 /nfs/dbraw/zinc/46/07/74/848460774.db2.gz DDOZVJCAGPJUGP-UHFFFAOYSA-N 1 2 290.363 1.694 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCOC2)C1 ZINC001046191301 848485525 /nfs/dbraw/zinc/48/55/25/848485525.db2.gz XNOBXOWQBVCDKK-OCCSQVGLSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCOC2)C1 ZINC001046191301 848485528 /nfs/dbraw/zinc/48/55/28/848485528.db2.gz XNOBXOWQBVCDKK-OCCSQVGLSA-N 1 2 286.803 1.746 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)c(C)o2)C1 ZINC001035340320 848487771 /nfs/dbraw/zinc/48/77/71/848487771.db2.gz AXJRJEZIGSGHTG-AWEZNQCLSA-N 1 2 290.363 1.350 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)c(C)o2)C1 ZINC001035340320 848487778 /nfs/dbraw/zinc/48/77/78/848487778.db2.gz AXJRJEZIGSGHTG-AWEZNQCLSA-N 1 2 290.363 1.350 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874892820 848497397 /nfs/dbraw/zinc/49/73/97/848497397.db2.gz MFJMRYUUCODYRY-GWCFXTLKSA-N 1 2 261.300 1.458 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(Cl)cnn1CC ZINC001038291523 848522197 /nfs/dbraw/zinc/52/21/97/848522197.db2.gz AKTMCSDAZHWCFU-LLVKDONJSA-N 1 2 294.786 1.384 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(Cl)cnn1CC ZINC001038291523 848522205 /nfs/dbraw/zinc/52/22/05/848522205.db2.gz AKTMCSDAZHWCFU-LLVKDONJSA-N 1 2 294.786 1.384 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1c(C)noc1C ZINC001032683007 848534420 /nfs/dbraw/zinc/53/44/20/848534420.db2.gz RPMQRDRWYPHRFK-BPNCWPANSA-N 1 2 287.363 1.313 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1c(C)noc1C ZINC001032683007 848534430 /nfs/dbraw/zinc/53/44/30/848534430.db2.gz RPMQRDRWYPHRFK-BPNCWPANSA-N 1 2 287.363 1.313 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1nn(C)cc1C ZINC001027880361 848546083 /nfs/dbraw/zinc/54/60/83/848546083.db2.gz NLGDHXBIPOISQR-GFCCVEGCSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1nn(C)cc1C ZINC001027880361 848546089 /nfs/dbraw/zinc/54/60/89/848546089.db2.gz NLGDHXBIPOISQR-GFCCVEGCSA-N 1 2 296.802 1.675 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C(F)(F)F)n1 ZINC001038832959 848547130 /nfs/dbraw/zinc/54/71/30/848547130.db2.gz GBFXOKHBMDCQGR-SNVBAGLBSA-N 1 2 297.280 1.538 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C(F)(F)F)n1 ZINC001038832959 848547134 /nfs/dbraw/zinc/54/71/34/848547134.db2.gz GBFXOKHBMDCQGR-SNVBAGLBSA-N 1 2 297.280 1.538 20 30 CDEDLO C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000837466779 848590563 /nfs/dbraw/zinc/59/05/63/848590563.db2.gz CCWXBSNKVNVLBW-OCCSQVGLSA-N 1 2 257.337 1.706 20 30 CDEDLO C=CC[N@H+](CN1CC(C)(C)CC1=O)[C@H](C)COC ZINC000853535582 848607293 /nfs/dbraw/zinc/60/72/93/848607293.db2.gz WQCOVDTYIOQWSO-GFCCVEGCSA-N 1 2 254.374 1.725 20 30 CDEDLO C=CC[N@@H+](CN1CC(C)(C)CC1=O)[C@H](C)COC ZINC000853535582 848607300 /nfs/dbraw/zinc/60/73/00/848607300.db2.gz WQCOVDTYIOQWSO-GFCCVEGCSA-N 1 2 254.374 1.725 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001009579594 848611016 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CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc(CC)s2)C1 ZINC001009681087 848796719 /nfs/dbraw/zinc/79/67/19/848796719.db2.gz KINNGUOWHCKCKK-GFCCVEGCSA-N 1 2 291.420 1.923 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)nc3ccccc32)C1 ZINC001031348319 848806261 /nfs/dbraw/zinc/80/62/61/848806261.db2.gz IMQSRXIOJTZNLN-UHFFFAOYSA-N 1 2 293.370 1.981 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C(F)F)c1 ZINC001032700786 848812774 /nfs/dbraw/zinc/81/27/74/848812774.db2.gz CBPYBHGTRKGTOP-RYUDHWBXSA-N 1 2 294.305 1.200 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C(F)F)c1 ZINC001032700786 848812780 /nfs/dbraw/zinc/81/27/80/848812780.db2.gz CBPYBHGTRKGTOP-RYUDHWBXSA-N 1 2 294.305 1.200 20 30 CDEDLO Nc1ccc(CN=Nc2ncccc2[N+](=O)[O-])c[nH+]1 ZINC000807977374 848847306 /nfs/dbraw/zinc/84/73/06/848847306.db2.gz KWKRRJFEBIAEAJ-UHFFFAOYSA-N 1 2 258.241 1.413 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCO[C@@H]1C ZINC001017508628 848894606 /nfs/dbraw/zinc/89/46/06/848894606.db2.gz 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N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2(CF)CC2)CC1 ZINC001004544063 849159596 /nfs/dbraw/zinc/15/95/96/849159596.db2.gz SMAOGHLCKXHDAW-CQSZACIVSA-N 1 2 293.386 1.963 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)C)C[C@H]21 ZINC001074387245 849216733 /nfs/dbraw/zinc/21/67/33/849216733.db2.gz HWHARYKRIPXSBI-ZIAGYGMSSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)C)C[C@H]21 ZINC001074387245 849216747 /nfs/dbraw/zinc/21/67/47/849216747.db2.gz HWHARYKRIPXSBI-ZIAGYGMSSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CCC[NH+]1CC(N(C)C(=O)c2cc(OC)no2)C1 ZINC001042639821 849270442 /nfs/dbraw/zinc/27/04/42/849270442.db2.gz QTIKDAKZSJOQBK-UHFFFAOYSA-N 1 2 265.313 1.016 20 30 CDEDLO C#CCOc1ccccc1-c1noc([C@H]2C[N@H+](C)CCO2)n1 ZINC000842491945 849306465 /nfs/dbraw/zinc/30/64/65/849306465.db2.gz OOBNJJZMTXFJNY-CQSZACIVSA-N 1 2 299.330 1.752 20 30 CDEDLO C#CCOc1ccccc1-c1noc([C@H]2C[N@@H+](C)CCO2)n1 ZINC000842491945 849306479 /nfs/dbraw/zinc/30/64/79/849306479.db2.gz 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ZINC001048832547 849456826 /nfs/dbraw/zinc/45/68/26/849456826.db2.gz DCEZXERCSAQXRV-AXFHLTTASA-N 1 2 294.292 1.853 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C2CC3(C2)CCOCC3)C1 ZINC001044180638 849466298 /nfs/dbraw/zinc/46/62/98/849466298.db2.gz IXFRFGURKGBZPL-UHFFFAOYSA-N 1 2 278.396 1.522 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(CC)ccn2)C1 ZINC001035385869 849469535 /nfs/dbraw/zinc/46/95/35/849469535.db2.gz VWGUYMPVIASUHD-CQSZACIVSA-N 1 2 289.379 1.261 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(CC)ccn2)C1 ZINC001035385869 849469539 /nfs/dbraw/zinc/46/95/39/849469539.db2.gz VWGUYMPVIASUHD-CQSZACIVSA-N 1 2 289.379 1.261 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2conc2CC)C1 ZINC000923552921 849471556 /nfs/dbraw/zinc/47/15/56/849471556.db2.gz FRYOSYORLKOYPI-LLVKDONJSA-N 1 2 261.325 1.064 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2conc2CC)C1 ZINC000923552921 849471557 /nfs/dbraw/zinc/47/15/57/849471557.db2.gz FRYOSYORLKOYPI-LLVKDONJSA-N 1 2 261.325 1.064 20 30 CDEDLO 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BFLQQVLJAJJTPB-WMLDXEAASA-N 1 2 298.390 1.994 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ncsc2C(C)C)C1 ZINC001031242928 849685931 /nfs/dbraw/zinc/68/59/31/849685931.db2.gz UKABPYOPFBHFOS-UHFFFAOYSA-N 1 2 277.393 1.704 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]nc1C ZINC001028062787 849718117 /nfs/dbraw/zinc/71/81/17/849718117.db2.gz ZWNQIPXGHYVYCK-NSHDSACASA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]nc1C ZINC001028062787 849718120 /nfs/dbraw/zinc/71/81/20/849718120.db2.gz ZWNQIPXGHYVYCK-NSHDSACASA-N 1 2 282.775 1.665 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(C)cc(C)n2)C1=O ZINC000930310973 849845447 /nfs/dbraw/zinc/84/54/47/849845447.db2.gz VKMQORKQGHFFLM-HNNXBMFYSA-N 1 2 273.380 1.917 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(C)cc(C)n2)C1=O ZINC000930310973 849845451 /nfs/dbraw/zinc/84/54/51/849845451.db2.gz VKMQORKQGHFFLM-HNNXBMFYSA-N 1 2 273.380 1.917 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H](C)n2cccc2)C1 ZINC001042621264 849923890 /nfs/dbraw/zinc/92/38/90/849923890.db2.gz BGNDRRJOJDWFIL-ZDUSSCGKSA-N 1 2 259.353 1.215 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2ncoc2C(C)(C)C)CC1 ZINC000989442108 849925019 /nfs/dbraw/zinc/92/50/19/849925019.db2.gz ACCLAKFTMQLURP-UHFFFAOYSA-N 1 2 289.379 1.753 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2ncoc2C(C)(C)C)CC1 ZINC000989442108 849925030 /nfs/dbraw/zinc/92/50/30/849925030.db2.gz ACCLAKFTMQLURP-UHFFFAOYSA-N 1 2 289.379 1.753 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001038785598 850038296 /nfs/dbraw/zinc/03/82/96/850038296.db2.gz JCPAETQWSOLRQI-XLNGHYISSA-N 1 2 280.371 1.396 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001038785598 850038297 /nfs/dbraw/zinc/03/82/97/850038297.db2.gz JCPAETQWSOLRQI-XLNGHYISSA-N 1 2 280.371 1.396 20 30 CDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cc[nH]c2)C1 ZINC001031691953 850116680 /nfs/dbraw/zinc/11/66/80/850116680.db2.gz DOFXCSKZWNWYOJ-UHFFFAOYSA-N 1 2 294.358 1.748 20 30 CDEDLO CC#CC[N@@H+]1CC[C@](C)(NC(=O)c2[nH]nc(C)c2C)C1 ZINC001046207093 850119496 /nfs/dbraw/zinc/11/94/96/850119496.db2.gz BNIUABCTQDDXHX-HNNXBMFYSA-N 1 2 274.368 1.244 20 30 CDEDLO CC#CC[N@H+]1CC[C@](C)(NC(=O)c2[nH]nc(C)c2C)C1 ZINC001046207093 850119503 /nfs/dbraw/zinc/11/95/03/850119503.db2.gz BNIUABCTQDDXHX-HNNXBMFYSA-N 1 2 274.368 1.244 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1c(C)cccc1F ZINC000884310910 850127056 /nfs/dbraw/zinc/12/70/56/850127056.db2.gz LUCGLTTWDVHQOG-NSHDSACASA-N 1 2 280.299 1.519 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000878648105 850142858 /nfs/dbraw/zinc/14/28/58/850142858.db2.gz NRQUTFMNMWOKMS-UHFFFAOYSA-N 1 2 254.374 1.379 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1OCC[C@H]1CC ZINC001050963554 850185336 /nfs/dbraw/zinc/18/53/36/850185336.db2.gz CKGXWBJJUNYICO-KFWWJZLASA-N 1 2 296.411 1.195 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1OCC[C@H]1CC ZINC001050963554 850185339 /nfs/dbraw/zinc/18/53/39/850185339.db2.gz CKGXWBJJUNYICO-KFWWJZLASA-N 1 2 296.411 1.195 20 30 CDEDLO CC(=O)NC[C@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001037986365 850252843 /nfs/dbraw/zinc/25/28/43/850252843.db2.gz LZPJUBBOMIWIIY-OAHLLOKOSA-N 1 2 276.767 1.902 20 30 CDEDLO CC(=O)NC[C@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001037986365 850252853 /nfs/dbraw/zinc/25/28/53/850252853.db2.gz LZPJUBBOMIWIIY-OAHLLOKOSA-N 1 2 276.767 1.902 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C=C(C)C)C[C@@H]21 ZINC001074155627 850252978 /nfs/dbraw/zinc/25/29/78/850252978.db2.gz XIZIWVINSNROJO-LSDHHAIUSA-N 1 2 278.396 1.830 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C=C(C)C)C[C@@H]21 ZINC001074155627 850252991 /nfs/dbraw/zinc/25/29/91/850252991.db2.gz XIZIWVINSNROJO-LSDHHAIUSA-N 1 2 278.396 1.830 20 30 CDEDLO C=CCCC(=O)O[C@H](COC)C[N@@H+]1CCO[C@@H](C)C1 ZINC000842972519 850346147 /nfs/dbraw/zinc/34/61/47/850346147.db2.gz XPSLPVZWQCAWIR-STQMWFEESA-N 1 2 271.357 1.232 20 30 CDEDLO C=CCCC(=O)O[C@H](COC)C[N@H+]1CCO[C@@H](C)C1 ZINC000842972519 850346158 /nfs/dbraw/zinc/34/61/58/850346158.db2.gz XPSLPVZWQCAWIR-STQMWFEESA-N 1 2 271.357 1.232 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(F)ccc1C ZINC001038572668 850377024 /nfs/dbraw/zinc/37/70/24/850377024.db2.gz OBTYVSJJHWBCDJ-ZDUSSCGKSA-N 1 2 260.312 1.571 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)ccc1C ZINC001038572668 850377029 /nfs/dbraw/zinc/37/70/29/850377029.db2.gz OBTYVSJJHWBCDJ-ZDUSSCGKSA-N 1 2 260.312 1.571 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000878714357 850452331 /nfs/dbraw/zinc/45/23/31/850452331.db2.gz OCOGYJCBCUNTSE-UHFFFAOYSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000878714357 850452335 /nfs/dbraw/zinc/45/23/35/850452335.db2.gz OCOGYJCBCUNTSE-UHFFFAOYSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nsc1C ZINC001032805051 850486010 /nfs/dbraw/zinc/48/60/10/850486010.db2.gz GTBPTIXOQKTDKZ-RYUDHWBXSA-N 1 2 277.393 1.845 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nsc1C ZINC001032805051 850486018 /nfs/dbraw/zinc/48/60/18/850486018.db2.gz GTBPTIXOQKTDKZ-RYUDHWBXSA-N 1 2 277.393 1.845 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)Cc1cccs1 ZINC000884080975 850486933 /nfs/dbraw/zinc/48/69/33/850486933.db2.gz KBXSEHWUBFUVEJ-PWSUYJOCSA-N 1 2 296.392 1.242 20 30 CDEDLO CC1(C#N)CCC(N2CC[NH2+]CC(F)(F)C2)CC1 ZINC001173594164 912639793 /nfs/dbraw/zinc/63/97/93/912639793.db2.gz TYMCOEUSZGBZTI-UHFFFAOYSA-N 1 2 257.328 1.999 20 30 CDEDLO CC1(C#N)CCC([N@@H+]2CCNCC(F)(F)C2)CC1 ZINC001173594164 912639797 /nfs/dbraw/zinc/63/97/97/912639797.db2.gz TYMCOEUSZGBZTI-UHFFFAOYSA-N 1 2 257.328 1.999 20 30 CDEDLO CC1(C#N)CCC([N@H+]2CCNCC(F)(F)C2)CC1 ZINC001173594164 912639800 /nfs/dbraw/zinc/63/98/00/912639800.db2.gz TYMCOEUSZGBZTI-UHFFFAOYSA-N 1 2 257.328 1.999 20 30 CDEDLO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H](CS)C(=O)OC)C1 ZINC001173619395 912651986 /nfs/dbraw/zinc/65/19/86/912651986.db2.gz ARGWPESNOOUSTE-MXWKQRLJSA-N 1 2 289.397 1.169 20 30 CDEDLO C=CC[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)C(=O)OC ZINC001173660646 912693337 /nfs/dbraw/zinc/69/33/37/912693337.db2.gz ZWTIWKKAFYTSJN-NSHDSACASA-N 1 2 294.317 1.720 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(-n3cccc3)nc2)C1 ZINC001031120094 913662267 /nfs/dbraw/zinc/66/22/67/913662267.db2.gz RTKFZLQRBAAFJH-UHFFFAOYSA-N 1 2 296.374 1.862 20 30 CDEDLO C#CCCCCC(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001267008062 896541399 /nfs/dbraw/zinc/54/13/99/896541399.db2.gz ABPCFIPYTIINIV-ZDUSSCGKSA-N 1 2 290.367 1.262 20 30 CDEDLO COc1cnc(NCc2cc[nH+]c(N)c2)c(C#N)c1 ZINC001167615047 897045207 /nfs/dbraw/zinc/04/52/07/897045207.db2.gz WYUWCYYTMSDDHF-UHFFFAOYSA-N 1 2 255.281 1.551 20 30 CDEDLO Cc1cnc([C@@H](C)[NH2+]CCNC(=O)c2ccc(C#N)[nH]2)o1 ZINC001125776783 897945375 /nfs/dbraw/zinc/94/53/75/897945375.db2.gz XZGVHFSGHBOBFR-SNVBAGLBSA-N 1 2 287.323 1.263 20 30 CDEDLO COc1ccc(C[N@H+]2CCC(=O)N(C)CC2)c(C#N)c1 ZINC001137703525 898248274 /nfs/dbraw/zinc/24/82/74/898248274.db2.gz NJUWIMURQMXGMI-UHFFFAOYSA-N 1 2 273.336 1.231 20 30 CDEDLO COc1ccc(C[N@@H+]2CCC(=O)N(C)CC2)c(C#N)c1 ZINC001137703525 898248288 /nfs/dbraw/zinc/24/82/88/898248288.db2.gz NJUWIMURQMXGMI-UHFFFAOYSA-N 1 2 273.336 1.231 20 30 CDEDLO C[C@H](CCNC(=O)Cn1cc[nH+]c1)Nc1ccc(C#N)nc1 ZINC001099261284 914254149 /nfs/dbraw/zinc/25/41/49/914254149.db2.gz APPPLWGQKRNWBM-GFCCVEGCSA-N 1 2 298.350 1.157 20 30 CDEDLO CC(=O)Nc1ccc(NC(=O)CCn2cc[nH+]c2)cc1C#N ZINC001176878117 914332215 /nfs/dbraw/zinc/33/22/15/914332215.db2.gz DASGXABTGIREKZ-UHFFFAOYSA-N 1 2 297.318 1.742 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C(\C)CC)C[C@H]21 ZINC001177002326 914428010 /nfs/dbraw/zinc/42/80/10/914428010.db2.gz ZPJZBWNDLSFJCL-XRZYUTHKSA-N 1 2 290.407 1.668 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C(\C)CC)C[C@H]21 ZINC001177002326 914428019 /nfs/dbraw/zinc/42/80/19/914428019.db2.gz ZPJZBWNDLSFJCL-XRZYUTHKSA-N 1 2 290.407 1.668 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N(CC)CCNc1cc[nH+]c(C)n1 ZINC001106853048 914434290 /nfs/dbraw/zinc/43/42/90/914434290.db2.gz WADRPXXQJCTPHQ-LBPRGKRZSA-N 1 2 290.367 1.084 20 30 CDEDLO C#Cc1cc(Nc2ccc(OC)cc2CO)cc[nH+]1 ZINC001211735240 901977729 /nfs/dbraw/zinc/97/77/29/901977729.db2.gz JQKMOWKMMJLWPP-UHFFFAOYSA-N 1 2 254.289 1.729 20 30 CDEDLO C=CC1CCN(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001123793917 914661956 /nfs/dbraw/zinc/66/19/56/914661956.db2.gz GNJOCSBFEXETMA-DZGCQCFKSA-N 1 2 294.443 1.228 20 30 CDEDLO C=CC1CCN(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC001123793917 914661960 /nfs/dbraw/zinc/66/19/60/914661960.db2.gz GNJOCSBFEXETMA-DZGCQCFKSA-N 1 2 294.443 1.228 20 30 CDEDLO Cc1coc(NC(=O)CN(C)c2cccc[nH+]2)c1C#N ZINC001177409021 914664821 /nfs/dbraw/zinc/66/48/21/914664821.db2.gz GPKDDZQFUKJHIV-UHFFFAOYSA-N 1 2 270.292 1.930 20 30 CDEDLO CN(CC(=O)NCC1(C#N)CCC1)c1cccc[nH+]1 ZINC001177414033 914672384 /nfs/dbraw/zinc/67/23/84/914672384.db2.gz PORYREAOZRLTFX-UHFFFAOYSA-N 1 2 258.325 1.328 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CCC2)[C@@H](O)C1 ZINC001089998130 921303960 /nfs/dbraw/zinc/30/39/60/921303960.db2.gz UQCROQIOOHQLAH-RYUDHWBXSA-N 1 2 272.776 1.090 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CCC2)[C@@H](O)C1 ZINC001089998130 921303963 /nfs/dbraw/zinc/30/39/63/921303963.db2.gz UQCROQIOOHQLAH-RYUDHWBXSA-N 1 2 272.776 1.090 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC2(F)F)[C@H]1C ZINC001088556778 907854262 /nfs/dbraw/zinc/85/42/62/907854262.db2.gz LNYQNBUNABRFIA-UTLUCORTSA-N 1 2 278.730 1.973 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC2(F)F)[C@H]1C ZINC001088556778 907854269 /nfs/dbraw/zinc/85/42/69/907854269.db2.gz LNYQNBUNABRFIA-UTLUCORTSA-N 1 2 278.730 1.973 20 30 CDEDLO C=CC[C@H]([NH2+][C@@H]1Cc2ccc(OC)cc2C1)C(=O)OC ZINC001168242231 907968388 /nfs/dbraw/zinc/96/83/88/907968388.db2.gz WPRDROLYRHUNFV-HIFRSBDPSA-N 1 2 275.348 1.870 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)Cc2ccon2)C1 ZINC001189280329 921398253 /nfs/dbraw/zinc/39/82/53/921398253.db2.gz RFPIYPNUWPFZOR-ZDUSSCGKSA-N 1 2 263.341 1.674 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccon2)C1 ZINC001189280329 921398261 /nfs/dbraw/zinc/39/82/61/921398261.db2.gz RFPIYPNUWPFZOR-ZDUSSCGKSA-N 1 2 263.341 1.674 20 30 CDEDLO C=CCOCC(=O)N1CC[C@@H]([N@H+](C)Cc2coc(C)n2)C1 ZINC001189379267 921449278 /nfs/dbraw/zinc/44/92/78/921449278.db2.gz HEFSPNVYNXCJFO-CQSZACIVSA-N 1 2 293.367 1.218 20 30 CDEDLO C=CCOCC(=O)N1CC[C@@H]([N@@H+](C)Cc2coc(C)n2)C1 ZINC001189379267 921449281 /nfs/dbraw/zinc/44/92/81/921449281.db2.gz HEFSPNVYNXCJFO-CQSZACIVSA-N 1 2 293.367 1.218 20 30 CDEDLO C=CCN1C(=O)COCC12C[NH+](Cc1cc(C)c(C)o1)C2 ZINC001273012692 921522389 /nfs/dbraw/zinc/52/23/89/921522389.db2.gz VLOTVVLCYJMBBP-UHFFFAOYSA-N 1 2 290.363 1.496 20 30 CDEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)C1 ZINC001093502885 909921181 /nfs/dbraw/zinc/92/11/81/909921181.db2.gz NGKPMOVDIPKIPF-BBRMVZONSA-N 1 2 292.423 1.910 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001077149531 910197524 /nfs/dbraw/zinc/19/75/24/910197524.db2.gz MDAUJCFLNLPACR-ZIAGYGMSSA-N 1 2 278.396 1.141 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001077149531 910197529 /nfs/dbraw/zinc/19/75/29/910197529.db2.gz MDAUJCFLNLPACR-ZIAGYGMSSA-N 1 2 278.396 1.141 20 30 CDEDLO N#Cc1cc(Nc2ccc(C[NH+]3CC(O)C3)cc2)ccn1 ZINC001212665234 911729371 /nfs/dbraw/zinc/72/93/71/911729371.db2.gz DRYTXSBATGOMLW-UHFFFAOYSA-N 1 2 280.331 1.295 20 30 CDEDLO Cn1cc(Nc2ccc(C[NH+]3CC(O)C3)cc2)c(C#N)n1 ZINC001212666574 911744325 /nfs/dbraw/zinc/74/43/25/911744325.db2.gz VQHMYWATFLRQPW-UHFFFAOYSA-N 1 2 283.335 1.212 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2coc(C)n2)C1 ZINC001189926135 921728936 /nfs/dbraw/zinc/72/89/36/921728936.db2.gz LUWJKMAIILVBPQ-OAHLLOKOSA-N 1 2 289.379 1.819 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2coc(C)n2)C1 ZINC001189926135 921728945 /nfs/dbraw/zinc/72/89/45/921728945.db2.gz LUWJKMAIILVBPQ-OAHLLOKOSA-N 1 2 289.379 1.819 20 30 CDEDLO C[C@H](C(=O)Nc1ccc(C#N)cc1O)n1cc[nH+]c1 ZINC001177926511 915045573 /nfs/dbraw/zinc/04/55/73/915045573.db2.gz JWIXTWYMFTXBFW-SECBINFHSA-N 1 2 256.265 1.660 20 30 CDEDLO N#C[C@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178105422 915175221 /nfs/dbraw/zinc/17/52/21/915175221.db2.gz UUXFIYAZGONTNQ-NWDGAFQWSA-N 1 2 258.325 1.350 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1nnc(C)o1 ZINC001485302606 916816421 /nfs/dbraw/zinc/81/64/21/916816421.db2.gz SOPMBZNDSLWDAK-VIFPVBQESA-N 1 2 286.763 1.110 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1nnc(C)o1 ZINC001485302606 916816443 /nfs/dbraw/zinc/81/64/43/916816443.db2.gz SOPMBZNDSLWDAK-VIFPVBQESA-N 1 2 286.763 1.110 20 30 CDEDLO COc1ccc(CN2CCc3c([nH+]cn3C)C2)c(C#N)c1 ZINC001137706330 936393942 /nfs/dbraw/zinc/39/39/42/936393942.db2.gz XMHRWBLDCXEKFT-UHFFFAOYSA-N 1 2 282.347 1.859 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CCc3cccc(C#N)c3)C[C@H]21 ZINC001182334552 917802946 /nfs/dbraw/zinc/80/29/46/917802946.db2.gz KHMQSXJUANYCRW-CVEARBPZSA-N 1 2 299.374 1.032 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)CCc3cccc(C#N)c3)C[C@H]21 ZINC001182334552 917802959 /nfs/dbraw/zinc/80/29/59/917802959.db2.gz KHMQSXJUANYCRW-CVEARBPZSA-N 1 2 299.374 1.032 20 30 CDEDLO Cc1nc(NC/C=C/CNC(=O)CSCC#N)cc[nH+]1 ZINC001107048785 917910767 /nfs/dbraw/zinc/91/07/67/917910767.db2.gz CNPMIEMLKWISFJ-NSCUHMNNSA-N 1 2 291.380 1.126 20 30 CDEDLO CC(C)[N@@H+]1CC[C@H]1C(=O)N(O)C(=N)c1ccccc1N ZINC001182852364 918180533 /nfs/dbraw/zinc/18/05/33/918180533.db2.gz UFGZGRLZVMIPBW-LBPRGKRZSA-N 1 2 276.340 1.295 20 30 CDEDLO CC(C)[N@H+]1CC[C@H]1C(=O)N(O)C(=N)c1ccccc1N ZINC001182852364 918180546 /nfs/dbraw/zinc/18/05/46/918180546.db2.gz UFGZGRLZVMIPBW-LBPRGKRZSA-N 1 2 276.340 1.295 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2cccs2)C1 ZINC001107693848 918624874 /nfs/dbraw/zinc/62/48/74/918624874.db2.gz CAOMGGQENHSNBT-OAHLLOKOSA-N 1 2 294.420 1.684 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2cccs2)C1 ZINC001107693848 918624883 /nfs/dbraw/zinc/62/48/83/918624883.db2.gz CAOMGGQENHSNBT-OAHLLOKOSA-N 1 2 294.420 1.684 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C)o2)C1 ZINC001107716184 918674108 /nfs/dbraw/zinc/67/41/08/918674108.db2.gz BVBJOBYBWHGCRK-HNNXBMFYSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C)o2)C1 ZINC001107716184 918674113 /nfs/dbraw/zinc/67/41/13/918674113.db2.gz BVBJOBYBWHGCRK-HNNXBMFYSA-N 1 2 278.352 1.595 20 30 CDEDLO N#C[C@H]1CCCCN1C(=O)CCc1ccc(N)[nH+]c1 ZINC001183934115 918749437 /nfs/dbraw/zinc/74/94/37/918749437.db2.gz XUXFZQUNDJMLMX-GFCCVEGCSA-N 1 2 258.325 1.501 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCc3cnn(C)c3C2)cc1 ZINC001138560117 936546539 /nfs/dbraw/zinc/54/65/39/936546539.db2.gz HOWLPXXZRSIASA-UHFFFAOYSA-N 1 2 281.359 1.990 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCc3cnn(C)c3C2)cc1 ZINC001138560117 936546541 /nfs/dbraw/zinc/54/65/41/936546541.db2.gz HOWLPXXZRSIASA-UHFFFAOYSA-N 1 2 281.359 1.990 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccoc2Cl)C1 ZINC001107903143 919028116 /nfs/dbraw/zinc/02/81/16/919028116.db2.gz SFPZOWCPWOMWHK-AWEZNQCLSA-N 1 2 298.770 1.940 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccoc2Cl)C1 ZINC001107903143 919028134 /nfs/dbraw/zinc/02/81/34/919028134.db2.gz SFPZOWCPWOMWHK-AWEZNQCLSA-N 1 2 298.770 1.940 20 30 CDEDLO Cc1nc(N[C@H](C)CCNC(=O)CSCC#N)cc[nH+]1 ZINC001098837960 919033170 /nfs/dbraw/zinc/03/31/70/919033170.db2.gz NBWUKAXSSQVOAZ-SNVBAGLBSA-N 1 2 293.396 1.349 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc[nH]c2)C1 ZINC001107960366 919179806 /nfs/dbraw/zinc/17/98/06/919179806.db2.gz DQKAKWSBZWYZGE-AWEZNQCLSA-N 1 2 263.341 1.021 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc[nH]c2)C1 ZINC001107960366 919179812 /nfs/dbraw/zinc/17/98/12/919179812.db2.gz DQKAKWSBZWYZGE-AWEZNQCLSA-N 1 2 263.341 1.021 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(C)CC2)C1 ZINC001107961363 919196606 /nfs/dbraw/zinc/19/66/06/919196606.db2.gz WYMOGGXRNMRGCA-OAHLLOKOSA-N 1 2 264.369 1.017 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2(C)CC2)C1 ZINC001107961363 919196611 /nfs/dbraw/zinc/19/66/11/919196611.db2.gz WYMOGGXRNMRGCA-OAHLLOKOSA-N 1 2 264.369 1.017 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)no1 ZINC001032744787 919899911 /nfs/dbraw/zinc/89/99/11/919899911.db2.gz RDRQOHBXSHRZPU-IUCAKERBSA-N 1 2 267.716 1.413 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)no1 ZINC001032744787 919899920 /nfs/dbraw/zinc/89/99/20/919899920.db2.gz RDRQOHBXSHRZPU-IUCAKERBSA-N 1 2 267.716 1.413 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2[nH]c(C)cc2C)C1 ZINC001108029778 920107085 /nfs/dbraw/zinc/10/70/85/920107085.db2.gz ZRDWMYYVJKTOSG-INIZCTEOSA-N 1 2 289.379 1.085 20 30 CDEDLO C#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2[nH]c(C)cc2C)C1 ZINC001108029778 920107096 /nfs/dbraw/zinc/10/70/96/920107096.db2.gz ZRDWMYYVJKTOSG-INIZCTEOSA-N 1 2 289.379 1.085 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC001139649773 936634410 /nfs/dbraw/zinc/63/44/10/936634410.db2.gz FRDZCMVLJSMULQ-AWEZNQCLSA-N 1 2 292.310 1.461 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC001139649773 936634411 /nfs/dbraw/zinc/63/44/11/936634411.db2.gz FRDZCMVLJSMULQ-AWEZNQCLSA-N 1 2 292.310 1.461 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(C)C)s2)C1 ZINC001078246071 920181209 /nfs/dbraw/zinc/18/12/09/920181209.db2.gz KOZGFKDUYHNFFB-VXGBXAGGSA-N 1 2 294.420 1.832 20 30 CDEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(C)C)s2)C1 ZINC001078246071 920181219 /nfs/dbraw/zinc/18/12/19/920181219.db2.gz KOZGFKDUYHNFFB-VXGBXAGGSA-N 1 2 294.420 1.832 20 30 CDEDLO COCCn1cc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)cn1 ZINC001139779516 936646343 /nfs/dbraw/zinc/64/63/43/936646343.db2.gz QCJXITSOCSIOPP-CYBMUJFWSA-N 1 2 293.392 1.304 20 30 CDEDLO COCCn1cc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)cn1 ZINC001139779516 936646344 /nfs/dbraw/zinc/64/63/44/936646344.db2.gz QCJXITSOCSIOPP-CYBMUJFWSA-N 1 2 293.392 1.304 20 30 CDEDLO C#CCCC[NH+]1CC2(C1)CN([C@@H](C)CC)C(=O)CO2 ZINC001273537407 920429819 /nfs/dbraw/zinc/42/98/19/920429819.db2.gz HOAKPXTXPTTXJV-ZDUSSCGKSA-N 1 2 264.369 1.112 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(F)CCCC2)C1 ZINC001108041016 920811127 /nfs/dbraw/zinc/81/11/27/920811127.db2.gz ZJIVULATACNGGN-AWEZNQCLSA-N 1 2 284.375 1.662 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(F)CCCC2)C1 ZINC001108041016 920811136 /nfs/dbraw/zinc/81/11/36/920811136.db2.gz ZJIVULATACNGGN-AWEZNQCLSA-N 1 2 284.375 1.662 20 30 CDEDLO N#CCc1cc[nH+]c(NCc2ccnn2CCF)c1 ZINC001162019196 921878171 /nfs/dbraw/zinc/87/81/71/921878171.db2.gz DBDDVSXDTMOBDU-UHFFFAOYSA-N 1 2 259.288 1.926 20 30 CDEDLO C#Cc1ccccc1C(=O)NCCc1[nH]cc(C)[nH+]1 ZINC001191116848 922408610 /nfs/dbraw/zinc/40/86/10/922408610.db2.gz PAHFTEJEFVTHBW-UHFFFAOYSA-N 1 2 253.305 1.672 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](F)C(C)C)C1 ZINC001108139957 922735753 /nfs/dbraw/zinc/73/57/53/922735753.db2.gz IZIJSKJWUHLQRF-OCCSQVGLSA-N 1 2 272.364 1.374 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](F)C(C)C)C1 ZINC001108139957 922735755 /nfs/dbraw/zinc/73/57/55/922735755.db2.gz IZIJSKJWUHLQRF-OCCSQVGLSA-N 1 2 272.364 1.374 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2nccnc2C)C1 ZINC001140939273 936780198 /nfs/dbraw/zinc/78/01/98/936780198.db2.gz GFFFLNBJQPGFGM-ZDUSSCGKSA-N 1 2 290.367 1.662 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2nccnc2C)C1 ZINC001140939273 936780201 /nfs/dbraw/zinc/78/02/01/936780201.db2.gz GFFFLNBJQPGFGM-ZDUSSCGKSA-N 1 2 290.367 1.662 20 30 CDEDLO C#CCCCCC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836866051 936807408 /nfs/dbraw/zinc/80/74/08/936807408.db2.gz JFMNVKZVRJIUKN-OKILXGFUSA-N 1 2 264.369 1.159 20 30 CDEDLO C#CCCCCC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836866051 936807411 /nfs/dbraw/zinc/80/74/11/936807411.db2.gz JFMNVKZVRJIUKN-OKILXGFUSA-N 1 2 264.369 1.159 20 30 CDEDLO C[C@@H](C#N)S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001193097272 923473698 /nfs/dbraw/zinc/47/36/98/923473698.db2.gz HUMDHVQMOBNDHA-JTQLQIEISA-N 1 2 276.321 1.526 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](Cc2cn3c(n2)COCC3)C1 ZINC001141535236 936893778 /nfs/dbraw/zinc/89/37/78/936893778.db2.gz UWFGRGVKCONGMX-LBPRGKRZSA-N 1 2 260.341 1.539 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cn3c(n2)COCC3)C1 ZINC001141535236 936893781 /nfs/dbraw/zinc/89/37/81/936893781.db2.gz UWFGRGVKCONGMX-LBPRGKRZSA-N 1 2 260.341 1.539 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)CCCCC)CC1 ZINC001194855575 924367871 /nfs/dbraw/zinc/36/78/71/924367871.db2.gz CXEGNFNTVMGBEK-UHFFFAOYSA-N 1 2 295.427 1.403 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCCC)CC1 ZINC001194855575 924367878 /nfs/dbraw/zinc/36/78/78/924367878.db2.gz CXEGNFNTVMGBEK-UHFFFAOYSA-N 1 2 295.427 1.403 20 30 CDEDLO C=CCOCC(=O)N1CCC[N@H+](Cc2cncs2)CC1 ZINC001195283838 924531127 /nfs/dbraw/zinc/53/11/27/924531127.db2.gz KRLMTSFPISVHSW-UHFFFAOYSA-N 1 2 295.408 1.380 20 30 CDEDLO C=CCOCC(=O)N1CCC[N@@H+](Cc2cncs2)CC1 ZINC001195283838 924531130 /nfs/dbraw/zinc/53/11/30/924531130.db2.gz KRLMTSFPISVHSW-UHFFFAOYSA-N 1 2 295.408 1.380 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2coc(C(F)F)c2)[C@H](OC)C1 ZINC001082069365 924854812 /nfs/dbraw/zinc/85/48/12/924854812.db2.gz GEYXHEQJVFSCKZ-ZYHUDNBSSA-N 1 2 298.289 1.279 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2coc(C(F)F)c2)[C@H](OC)C1 ZINC001082069365 924854820 /nfs/dbraw/zinc/85/48/20/924854820.db2.gz GEYXHEQJVFSCKZ-ZYHUDNBSSA-N 1 2 298.289 1.279 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(-c3nnco3)cc2)CC1 ZINC001197679295 925197553 /nfs/dbraw/zinc/19/75/53/925197553.db2.gz HXNBXHDIWAWYRW-UHFFFAOYSA-N 1 2 298.346 1.680 20 30 CDEDLO C=C[C@H](Oc1ccc(-n2cc[nH+]c2)cc1)C(=O)OC ZINC001229954004 925422338 /nfs/dbraw/zinc/42/23/38/925422338.db2.gz HJDKSDQXIZLNLE-ZDUSSCGKSA-N 1 2 258.277 1.979 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001108199998 925784853 /nfs/dbraw/zinc/78/48/53/925784853.db2.gz WABAPYWYIBRWJC-UAGQMJEPSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001108199998 925784858 /nfs/dbraw/zinc/78/48/58/925784858.db2.gz WABAPYWYIBRWJC-UAGQMJEPSA-N 1 2 292.423 1.960 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(CC(C)C)n1 ZINC001085621597 926222060 /nfs/dbraw/zinc/22/20/60/926222060.db2.gz VLCWVXUWWMTJNU-CQSZACIVSA-N 1 2 288.395 1.319 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(CC(C)C)n1 ZINC001085621597 926222068 /nfs/dbraw/zinc/22/20/68/926222068.db2.gz VLCWVXUWWMTJNU-CQSZACIVSA-N 1 2 288.395 1.319 20 30 CDEDLO CNC(=O)c1cc(C#N)cc(C)c1Nc1ccc(N)[nH+]c1 ZINC001201292375 926244347 /nfs/dbraw/zinc/24/43/47/926244347.db2.gz WRJKKZXVLXDBTM-UHFFFAOYSA-N 1 2 281.319 1.947 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]nc1C(C)C ZINC001085691054 926290200 /nfs/dbraw/zinc/29/02/00/926290200.db2.gz WJKBIWLNSARKCZ-LBPRGKRZSA-N 1 2 274.368 1.313 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]nc1C(C)C ZINC001085691054 926290207 /nfs/dbraw/zinc/29/02/07/926290207.db2.gz WJKBIWLNSARKCZ-LBPRGKRZSA-N 1 2 274.368 1.313 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nc(C)c(C)nc1C ZINC001085712149 926312921 /nfs/dbraw/zinc/31/29/21/926312921.db2.gz BWDCKUYSUXZHJD-AWEZNQCLSA-N 1 2 286.379 1.181 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nc(C)c(C)nc1C ZINC001085712149 926312932 /nfs/dbraw/zinc/31/29/32/926312932.db2.gz BWDCKUYSUXZHJD-AWEZNQCLSA-N 1 2 286.379 1.181 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(CF)CC2)C1 ZINC001108205735 926313067 /nfs/dbraw/zinc/31/30/67/926313067.db2.gz WKRRTIDENDNMHI-ZDUSSCGKSA-N 1 2 270.348 1.129 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(CF)CC2)C1 ZINC001108205735 926313074 /nfs/dbraw/zinc/31/30/74/926313074.db2.gz WKRRTIDENDNMHI-ZDUSSCGKSA-N 1 2 270.348 1.129 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)[nH]1 ZINC001085805915 926417043 /nfs/dbraw/zinc/41/70/43/926417043.db2.gz UGEISWSSAUZVLY-SNVBAGLBSA-N 1 2 265.744 1.448 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)[nH]1 ZINC001085805915 926417047 /nfs/dbraw/zinc/41/70/47/926417047.db2.gz UGEISWSSAUZVLY-SNVBAGLBSA-N 1 2 265.744 1.448 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1noc2c1CCCC2 ZINC001085840477 926441868 /nfs/dbraw/zinc/44/18/68/926441868.db2.gz IMFUHHAPZMOKJB-LBPRGKRZSA-N 1 2 287.363 1.333 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1noc2c1CCCC2 ZINC001085840477 926441873 /nfs/dbraw/zinc/44/18/73/926441873.db2.gz IMFUHHAPZMOKJB-LBPRGKRZSA-N 1 2 287.363 1.333 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1coc(C2CC2)n1 ZINC001085859200 926458399 /nfs/dbraw/zinc/45/83/99/926458399.db2.gz UCDJFQOFIQTCGG-CYBMUJFWSA-N 1 2 287.363 1.722 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1coc(C2CC2)n1 ZINC001085859200 926458411 /nfs/dbraw/zinc/45/84/11/926458411.db2.gz UCDJFQOFIQTCGG-CYBMUJFWSA-N 1 2 287.363 1.722 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1scnc1COC ZINC001085862753 926462589 /nfs/dbraw/zinc/46/25/89/926462589.db2.gz HXLPDKOUBBEJEH-NSHDSACASA-N 1 2 295.408 1.622 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1scnc1COC ZINC001085862753 926462594 /nfs/dbraw/zinc/46/25/94/926462594.db2.gz HXLPDKOUBBEJEH-NSHDSACASA-N 1 2 295.408 1.622 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nc(CC)oc1C ZINC001085868960 926468023 /nfs/dbraw/zinc/46/80/23/926468023.db2.gz DTMQIKGYTHKWTB-CYBMUJFWSA-N 1 2 289.379 1.715 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nc(CC)oc1C ZINC001085868960 926468027 /nfs/dbraw/zinc/46/80/27/926468027.db2.gz DTMQIKGYTHKWTB-CYBMUJFWSA-N 1 2 289.379 1.715 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C)nc1C ZINC001085879456 926476134 /nfs/dbraw/zinc/47/61/34/926476134.db2.gz NJNGSMIXOVJTGO-AWEZNQCLSA-N 1 2 286.379 1.263 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C)nc1C ZINC001085879456 926476138 /nfs/dbraw/zinc/47/61/38/926476138.db2.gz NJNGSMIXOVJTGO-AWEZNQCLSA-N 1 2 286.379 1.263 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc2n[nH]c(C)c2c1 ZINC001085972845 926565072 /nfs/dbraw/zinc/56/50/72/926565072.db2.gz JQYXZJXKORBHKE-ZDUSSCGKSA-N 1 2 297.362 1.046 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc2n[nH]c(C)c2c1 ZINC001085972845 926565077 /nfs/dbraw/zinc/56/50/77/926565077.db2.gz JQYXZJXKORBHKE-ZDUSSCGKSA-N 1 2 297.362 1.046 20 30 CDEDLO C=CCN1CC[NH+](Cc2cccn3ccnc23)CC1 ZINC001142955825 937099285 /nfs/dbraw/zinc/09/92/85/937099285.db2.gz NJUUSYUKNCDDRX-UHFFFAOYSA-N 1 2 256.353 1.638 20 30 CDEDLO CC[C@@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1cc[nH+]c(C)n1 ZINC001103039304 937116180 /nfs/dbraw/zinc/11/61/80/937116180.db2.gz GSPKAZGOKIEUNJ-LBPRGKRZSA-N 1 2 298.350 1.605 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc3cccnc3[nH]2)CC1 ZINC001143224663 937139454 /nfs/dbraw/zinc/13/94/54/937139454.db2.gz XWEYCVJYIAQOSU-UHFFFAOYSA-N 1 2 254.337 1.314 20 30 CDEDLO C#CCN1CC[NH+](Cc2cc3cccnc3[nH]2)CC1 ZINC001143224663 937139457 /nfs/dbraw/zinc/13/94/57/937139457.db2.gz XWEYCVJYIAQOSU-UHFFFAOYSA-N 1 2 254.337 1.314 20 30 CDEDLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)CNc1ccc(C#N)nc1 ZINC001104052899 937187038 /nfs/dbraw/zinc/18/70/38/937187038.db2.gz MKDWTGDOPWMKEF-LLVKDONJSA-N 1 2 298.350 1.083 20 30 CDEDLO Cc1cccc2c1ncnc2N1CC[NH2+]C[C@@H]1C#N ZINC001156321001 928046606 /nfs/dbraw/zinc/04/66/06/928046606.db2.gz LQQBIDUVZXHTSP-NSHDSACASA-N 1 2 253.309 1.240 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169764854 928414502 /nfs/dbraw/zinc/41/45/02/928414502.db2.gz QZYHFPVJMPCALU-CVEARBPZSA-N 1 2 298.390 1.089 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccns1 ZINC001109087764 928782618 /nfs/dbraw/zinc/78/26/18/928782618.db2.gz AWLXCUGLZHMBCB-LFSVMHDDSA-N 1 2 290.392 1.524 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccns1 ZINC001109087764 928782624 /nfs/dbraw/zinc/78/26/24/928782624.db2.gz AWLXCUGLZHMBCB-LFSVMHDDSA-N 1 2 290.392 1.524 20 30 CDEDLO Cc1nocc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C#N)C2 ZINC001109080193 928787853 /nfs/dbraw/zinc/78/78/53/928787853.db2.gz NXCAPVDAJPVIBZ-QQUHWDOBSA-N 1 2 288.351 1.364 20 30 CDEDLO Cc1nocc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C#N)C2 ZINC001109080193 928787857 /nfs/dbraw/zinc/78/78/57/928787857.db2.gz NXCAPVDAJPVIBZ-QQUHWDOBSA-N 1 2 288.351 1.364 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001109208967 928835840 /nfs/dbraw/zinc/83/58/40/928835840.db2.gz IKYUOEAJDYCMLC-OSFYFWSMSA-N 1 2 298.814 1.788 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001109208967 928835849 /nfs/dbraw/zinc/83/58/49/928835849.db2.gz IKYUOEAJDYCMLC-OSFYFWSMSA-N 1 2 298.814 1.788 20 30 CDEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001109310468 928875257 /nfs/dbraw/zinc/87/52/57/928875257.db2.gz IYXGKEKKIGXXMM-XFWSIPNHSA-N 1 2 280.265 1.794 20 30 CDEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001109310468 928875268 /nfs/dbraw/zinc/87/52/68/928875268.db2.gz IYXGKEKKIGXXMM-XFWSIPNHSA-N 1 2 280.265 1.794 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)CSCCC)CC1 ZINC001112656579 929297456 /nfs/dbraw/zinc/29/74/56/929297456.db2.gz RCODMNGOYQQLHU-UHFFFAOYSA-N 1 2 286.441 1.476 20 30 CDEDLO CCCCOCC[NH+]1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001112718695 929352765 /nfs/dbraw/zinc/35/27/65/929352765.db2.gz QHIVVKWGSNDNKI-ZDUSSCGKSA-N 1 2 267.373 1.107 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](OCC)C2CC2)CC1 ZINC001112860126 929498182 /nfs/dbraw/zinc/49/81/82/929498182.db2.gz RPPIIVZXUHPUOS-ZDUSSCGKSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CCOCC(=O)N[C@H](C)[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001112922307 929572593 /nfs/dbraw/zinc/57/25/93/929572593.db2.gz YLZIOHJOLLBWEC-GHMZBOCLSA-N 1 2 278.356 1.293 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnns3)C[C@H]21 ZINC001114353511 929629151 /nfs/dbraw/zinc/62/91/51/929629151.db2.gz TUUFVFPIHZUYKG-IMRBUKKESA-N 1 2 292.408 1.441 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnns3)C[C@H]21 ZINC001114353511 929629157 /nfs/dbraw/zinc/62/91/57/929629157.db2.gz TUUFVFPIHZUYKG-IMRBUKKESA-N 1 2 292.408 1.441 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001134409948 929735247 /nfs/dbraw/zinc/73/52/47/929735247.db2.gz AKXWXHQOJVRKCQ-UHFFFAOYSA-N 1 2 292.383 1.755 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc3ccncc3[nH]2)CC1 ZINC001152578451 937373968 /nfs/dbraw/zinc/37/39/68/937373968.db2.gz GCJUAOIXOOOPQF-UHFFFAOYSA-N 1 2 270.336 1.507 20 30 CDEDLO CC[N@H+](Cc1cc(C)on1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153227555 937431078 /nfs/dbraw/zinc/43/10/78/937431078.db2.gz YTUVNQWYVVKOSZ-GFCCVEGCSA-N 1 2 289.379 1.723 20 30 CDEDLO CC[N@@H+](Cc1cc(C)on1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153227555 937431080 /nfs/dbraw/zinc/43/10/80/937431080.db2.gz YTUVNQWYVVKOSZ-GFCCVEGCSA-N 1 2 289.379 1.723 20 30 CDEDLO C[S@@](=O)c1c[nH]c2nc[nH+]c(NCCCS)c12 ZINC001171000090 931235242 /nfs/dbraw/zinc/23/52/42/931235242.db2.gz VUIHDGHABKEHAM-QGZVFWFLSA-N 1 2 270.383 1.379 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncc[nH]1)C2 ZINC001095392738 931288034 /nfs/dbraw/zinc/28/80/34/931288034.db2.gz AOLAVQHXODAVQX-VWYCJHECSA-N 1 2 280.759 1.497 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncc[nH]1)C2 ZINC001095392738 931288043 /nfs/dbraw/zinc/28/80/43/931288043.db2.gz AOLAVQHXODAVQX-VWYCJHECSA-N 1 2 280.759 1.497 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C)[C@H](O)C1 ZINC001090746043 931387252 /nfs/dbraw/zinc/38/72/52/931387252.db2.gz GFROQICQKWGKHW-GHMZBOCLSA-N 1 2 274.792 1.336 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C)[C@H](O)C1 ZINC001090746043 931387260 /nfs/dbraw/zinc/38/72/60/931387260.db2.gz GFROQICQKWGKHW-GHMZBOCLSA-N 1 2 274.792 1.336 20 30 CDEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1[nH]ccc1C#N ZINC001274855672 931594170 /nfs/dbraw/zinc/59/41/70/931594170.db2.gz RGCCTAAZURQGCI-KRWDZBQOSA-N 1 2 296.374 1.477 20 30 CDEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1[nH]ccc1C#N ZINC001274855672 931594174 /nfs/dbraw/zinc/59/41/74/931594174.db2.gz RGCCTAAZURQGCI-KRWDZBQOSA-N 1 2 296.374 1.477 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3CCC3)CC2)nc1 ZINC001144160560 931675438 /nfs/dbraw/zinc/67/54/38/931675438.db2.gz LPRNGZXJDZKTEB-UHFFFAOYSA-N 1 2 298.390 1.788 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)nc1 ZINC001144160560 931675441 /nfs/dbraw/zinc/67/54/41/931675441.db2.gz LPRNGZXJDZKTEB-UHFFFAOYSA-N 1 2 298.390 1.788 20 30 CDEDLO Cc1ccc(C#N)cc1C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001275458860 931806777 /nfs/dbraw/zinc/80/67/77/931806777.db2.gz VCWPEPIGSPGDHY-UHFFFAOYSA-N 1 2 255.321 1.397 20 30 CDEDLO Cc1ccc(C#N)cc1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001275458860 931806779 /nfs/dbraw/zinc/80/67/79/931806779.db2.gz VCWPEPIGSPGDHY-UHFFFAOYSA-N 1 2 255.321 1.397 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C(C)(F)F ZINC001275757675 932003593 /nfs/dbraw/zinc/00/35/93/932003593.db2.gz HXVWMOZBGAWARM-MRVPVSSYSA-N 1 2 254.708 1.831 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C(C)(F)F ZINC001275757675 932003601 /nfs/dbraw/zinc/00/36/01/932003601.db2.gz HXVWMOZBGAWARM-MRVPVSSYSA-N 1 2 254.708 1.831 20 30 CDEDLO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CC(N(C)[C@H]2CCOC2)C1 ZINC001171224860 932027783 /nfs/dbraw/zinc/02/77/83/932027783.db2.gz VJARWEYRCLEWBU-YOEHRIQHSA-N 1 2 299.418 1.894 20 30 CDEDLO C=CCOCC(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091317347 932084281 /nfs/dbraw/zinc/08/42/81/932084281.db2.gz KWGXEZNKVVXPEK-BETUJISGSA-N 1 2 290.367 1.294 20 30 CDEDLO NC(=O)c1ccc(C(=[NH2+])Nc2ccc3nc[nH]c3c2)cc1 ZINC001171258606 932170485 /nfs/dbraw/zinc/17/04/85/932170485.db2.gz GXIGJSCJUZTXQL-UHFFFAOYSA-N 1 2 279.303 1.699 20 30 CDEDLO N#Cc1cccc2c1CCN2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001412268063 932354297 /nfs/dbraw/zinc/35/42/97/932354297.db2.gz MMOXWDMNLSCQAB-LBPRGKRZSA-N 1 2 292.342 1.906 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@H](C)c2cnn(C)c2C)nn1 ZINC001118445888 937627809 /nfs/dbraw/zinc/62/78/09/937627809.db2.gz CIACDXNBQLPMKD-LLVKDONJSA-N 1 2 274.372 1.747 20 30 CDEDLO Cc1nc(NC2CC(CNC(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001092206621 932929969 /nfs/dbraw/zinc/92/99/69/932929969.db2.gz YEXCWXCMLPKIJJ-OIKLOGQESA-N 1 2 273.340 1.251 20 30 CDEDLO N#Cc1cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cs1 ZINC001412856419 935061319 /nfs/dbraw/zinc/06/13/19/935061319.db2.gz PUNWBLDPAFZATK-SNVBAGLBSA-N 1 2 272.333 1.561 20 30 CDEDLO N#Cc1cc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccnc2)c[nH]1 ZINC001038174388 935736399 /nfs/dbraw/zinc/73/63/99/935736399.db2.gz GJCYDXYGNKYEGL-HNNXBMFYSA-N 1 2 295.346 1.286 20 30 CDEDLO N#Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccnc2)c[nH]1 ZINC001038174388 935736402 /nfs/dbraw/zinc/73/64/02/935736402.db2.gz GJCYDXYGNKYEGL-HNNXBMFYSA-N 1 2 295.346 1.286 20 30 CDEDLO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=NC(=O)N(C)C1)C2 ZINC001095970993 935852221 /nfs/dbraw/zinc/85/22/21/935852221.db2.gz YZQZLHBZBBFFFG-MDZLAQPJSA-N 1 2 290.367 1.037 20 30 CDEDLO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=NC(=O)N(C)C1)C2 ZINC001095970993 935852225 /nfs/dbraw/zinc/85/22/25/935852225.db2.gz YZQZLHBZBBFFFG-MDZLAQPJSA-N 1 2 290.367 1.037 20 30 CDEDLO N#Cc1cccc([C@H](O)C[N@@H+]2CCN3C[C@@H](F)C[C@H]3C2)c1 ZINC001413083078 935894057 /nfs/dbraw/zinc/89/40/57/935894057.db2.gz LXVOKXFZRHTFOF-HRCADAONSA-N 1 2 289.354 1.320 20 30 CDEDLO N#Cc1cccc([C@H](O)C[N@H+]2CCN3C[C@@H](F)C[C@H]3C2)c1 ZINC001413083078 935894059 /nfs/dbraw/zinc/89/40/59/935894059.db2.gz LXVOKXFZRHTFOF-HRCADAONSA-N 1 2 289.354 1.320 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@H]1C ZINC001122977205 936095942 /nfs/dbraw/zinc/09/59/42/936095942.db2.gz INDLAMMTSQSMHK-OCCSQVGLSA-N 1 2 286.379 1.990 20 30 CDEDLO Cc1nc(N[C@@H]2CCN(C(=O)C#CC(C)C)[C@@H]2C)cc[nH+]1 ZINC001122976824 936095976 /nfs/dbraw/zinc/09/59/76/936095976.db2.gz FDKXAUVSFRSCQG-TZMCWYRMSA-N 1 2 286.379 1.846 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@H]1C ZINC001122977206 936096040 /nfs/dbraw/zinc/09/60/40/936096040.db2.gz INDLAMMTSQSMHK-TZMCWYRMSA-N 1 2 286.379 1.990 20 30 CDEDLO Cc1nc(N[C@@H](CNC(=O)C#CC2CC2)C2CC2)cc[nH+]1 ZINC001096654329 936202065 /nfs/dbraw/zinc/20/20/65/936202065.db2.gz KBUSREXXHPNNQW-AWEZNQCLSA-N 1 2 284.363 1.505 20 30 CDEDLO C=CCC(C)(C)C(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122612593 937945945 /nfs/dbraw/zinc/94/59/45/937945945.db2.gz IPBZMEJTVPVRHA-GFCCVEGCSA-N 1 2 292.383 1.276 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(NC[C@H]3CCC(=O)N3)c2c1 ZINC001156144087 938324061 /nfs/dbraw/zinc/32/40/61/938324061.db2.gz KLGUVIAJQRLKFR-GFCCVEGCSA-N 1 2 266.304 1.797 20 30 CDEDLO Cc1c(Cl)nc(CC(C)C)nc1N1CC[NH2+]C[C@@H]1C#N ZINC001156331997 938353184 /nfs/dbraw/zinc/35/31/84/938353184.db2.gz CQMDXBWCVSHHMJ-NSHDSACASA-N 1 2 293.802 1.939 20 30 CDEDLO COc1cc(C[N@@H+]2CCc3c(cnn3C)C2)ccc1C#N ZINC001238412270 945172657 /nfs/dbraw/zinc/17/26/57/945172657.db2.gz BXUCVRJCFRCEOH-UHFFFAOYSA-N 1 2 282.347 1.859 20 30 CDEDLO COc1cc(C[N@H+]2CCc3c(cnn3C)C2)ccc1C#N ZINC001238412270 945172660 /nfs/dbraw/zinc/17/26/60/945172660.db2.gz BXUCVRJCFRCEOH-UHFFFAOYSA-N 1 2 282.347 1.859 20 30 CDEDLO CCN(c1nc(Cl)c(F)cc1C#N)C1C[NH+](C)C1 ZINC001157453600 938494406 /nfs/dbraw/zinc/49/44/06/938494406.db2.gz IFFJZCXJSROXPJ-UHFFFAOYSA-N 1 2 268.723 1.886 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1ccc(C#N)c(C)n1 ZINC001157462211 938496766 /nfs/dbraw/zinc/49/67/66/938496766.db2.gz DOSMYOPVGKFEGL-UHFFFAOYSA-N 1 2 255.325 1.985 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1ncc(C#N)cc1C(=O)OC ZINC001157465984 938497526 /nfs/dbraw/zinc/49/75/26/938497526.db2.gz DJUPOILCVYICRS-UHFFFAOYSA-N 1 2 299.334 1.463 20 30 CDEDLO CN(C)c1cc(NCCOc2ccc(C#N)cc2)[nH+]cn1 ZINC001160281836 938778755 /nfs/dbraw/zinc/77/87/55/938778755.db2.gz VRKCEEPBLKVYNT-UHFFFAOYSA-N 1 2 283.335 1.905 20 30 CDEDLO CN(C)c1cc(NCCOc2ccc(C#N)cc2)nc[nH+]1 ZINC001160281836 938778757 /nfs/dbraw/zinc/77/87/57/938778757.db2.gz VRKCEEPBLKVYNT-UHFFFAOYSA-N 1 2 283.335 1.905 20 30 CDEDLO COC(=O)[C@H]1C[C@H]1CNc1[nH+]cc(C)cc1/C=N/O ZINC001161044836 938864274 /nfs/dbraw/zinc/86/42/74/938864274.db2.gz WVESYQWLFNCRRN-PJYVOZPRSA-N 1 2 263.297 1.419 20 30 CDEDLO C#CCCCNc1nc2[nH]c(C(=O)OCC)cc2c[nH+]1 ZINC001162439965 939053597 /nfs/dbraw/zinc/05/35/97/939053597.db2.gz ICPLMKNAEPNFHB-UHFFFAOYSA-N 1 2 272.308 1.912 20 30 CDEDLO CCc1nc(C#N)cc(NCc2ccc[nH+]c2N)n1 ZINC001163326828 939248285 /nfs/dbraw/zinc/24/82/85/939248285.db2.gz LVYGTIZWNDQMDF-UHFFFAOYSA-N 1 2 254.297 1.500 20 30 CDEDLO N#Cc1ncc(Cl)nc1N1CC[NH2+]CC(F)(F)C1 ZINC001164488247 939478574 /nfs/dbraw/zinc/47/85/74/939478574.db2.gz AWMGUUDJUKJXEE-UHFFFAOYSA-N 1 2 273.674 1.047 20 30 CDEDLO Nc1ccccc1C(NO)=[NH+]c1cnc2ccnn2c1 ZINC001204813772 939793465 /nfs/dbraw/zinc/79/34/65/939793465.db2.gz KIEAGQKZUAVXMG-UHFFFAOYSA-N 1 2 268.280 1.369 20 30 CDEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1nccn1C)C2 ZINC001205132590 939826126 /nfs/dbraw/zinc/82/61/26/939826126.db2.gz MLLPOFFGAACWEP-GOEBONIOSA-N 1 2 291.395 1.746 20 30 CDEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1nccn1C)C2 ZINC001205132590 939826129 /nfs/dbraw/zinc/82/61/29/939826129.db2.gz MLLPOFFGAACWEP-GOEBONIOSA-N 1 2 291.395 1.746 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001207021747 940130587 /nfs/dbraw/zinc/13/05/87/940130587.db2.gz ANIKNYCZFXIXDH-OPRDCNLKSA-N 1 2 282.281 1.899 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001207021747 940130588 /nfs/dbraw/zinc/13/05/88/940130588.db2.gz ANIKNYCZFXIXDH-OPRDCNLKSA-N 1 2 282.281 1.899 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)Cc2ncn(C)c21 ZINC001207105151 940149817 /nfs/dbraw/zinc/14/98/17/940149817.db2.gz QXVOWGVEMZLTFC-ZDUSSCGKSA-N 1 2 299.378 1.376 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)Cc2ncn(C)c21 ZINC001207105151 940149818 /nfs/dbraw/zinc/14/98/18/940149818.db2.gz QXVOWGVEMZLTFC-ZDUSSCGKSA-N 1 2 299.378 1.376 20 30 CDEDLO COC(=O)C1C[NH+](Cc2ccc(C#N)c(OC)c2)C1 ZINC001207773808 940243015 /nfs/dbraw/zinc/24/30/15/940243015.db2.gz HLYWUORHMZELLA-UHFFFAOYSA-N 1 2 260.293 1.172 20 30 CDEDLO CC#CC[NH2+][C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001208084481 940286522 /nfs/dbraw/zinc/28/65/22/940286522.db2.gz PEZNBNMSAAXANT-ZJUUUORDSA-N 1 2 280.265 1.491 20 30 CDEDLO CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001208084481 940286524 /nfs/dbraw/zinc/28/65/24/940286524.db2.gz PEZNBNMSAAXANT-ZJUUUORDSA-N 1 2 280.265 1.491 20 30 CDEDLO N#Cc1ccc(Nc2ccc[nH+]c2N2CCOCC2)cn1 ZINC001209517547 940599292 /nfs/dbraw/zinc/59/92/92/940599292.db2.gz IMBVOJHGCITKBI-UHFFFAOYSA-N 1 2 281.319 1.928 20 30 CDEDLO C#Cc1cc(Nc2cnn(CCCOC)c2)cc[nH+]1 ZINC001210415848 940689523 /nfs/dbraw/zinc/68/95/23/940689523.db2.gz WKIOMUGZMYQCQC-UHFFFAOYSA-N 1 2 256.309 1.461 20 30 CDEDLO C#Cc1cc(Nc2cnc(N3CCC3)nc2)cc[nH+]1 ZINC001210719800 940708141 /nfs/dbraw/zinc/70/81/41/940708141.db2.gz QJBVZTZIYXLKRS-UHFFFAOYSA-N 1 2 251.293 1.229 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@](C)(C=C)CC)[C@H](OC)C1 ZINC001213390005 940771674 /nfs/dbraw/zinc/77/16/74/940771674.db2.gz NWYAZXAHWURMBX-UMVBOHGHSA-N 1 2 264.369 1.037 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@](C)(C=C)CC)[C@H](OC)C1 ZINC001213390005 940771677 /nfs/dbraw/zinc/77/16/77/940771677.db2.gz NWYAZXAHWURMBX-UMVBOHGHSA-N 1 2 264.369 1.037 20 30 CDEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csnn2)C1 ZINC001214741643 940838251 /nfs/dbraw/zinc/83/82/51/940838251.db2.gz VOFPYVGJDVEDEX-DGCLKSJQSA-N 1 2 294.424 1.831 20 30 CDEDLO C[NH2+][C@@H](CC(C)C)C(=O)N=C(NC#N)c1ccncc1 ZINC001219972769 941400993 /nfs/dbraw/zinc/40/09/93/941400993.db2.gz VSROIMXKVDCWFQ-LBPRGKRZSA-N 1 2 273.340 1.060 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](F)CCCCCC)[C@@H](O)C1 ZINC001220761773 941469747 /nfs/dbraw/zinc/46/97/47/941469747.db2.gz CHCCGIBQJLFZCR-ZNMIVQPWSA-N 1 2 298.402 1.480 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)CCCCCC)[C@@H](O)C1 ZINC001220761773 941469749 /nfs/dbraw/zinc/46/97/49/941469749.db2.gz CHCCGIBQJLFZCR-ZNMIVQPWSA-N 1 2 298.402 1.480 20 30 CDEDLO N#Cc1ccccc1N1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001276954261 941731417 /nfs/dbraw/zinc/73/14/17/941731417.db2.gz ZVOUJEZPPLHXGR-UHFFFAOYSA-N 1 2 279.347 1.604 20 30 CDEDLO C#C[C@H](CC)OCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001224729882 941787160 /nfs/dbraw/zinc/78/71/60/941787160.db2.gz NPGGEGUCQUMBBI-CQSZACIVSA-N 1 2 296.411 1.968 20 30 CDEDLO Cc1nc(C[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)cs1 ZINC001226649476 942041246 /nfs/dbraw/zinc/04/12/46/942041246.db2.gz UBZPSIYZQLWEEJ-SNVBAGLBSA-N 1 2 292.408 1.692 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NC1CC[NH+](Cc2ccon2)CC1 ZINC001227076342 942128167 /nfs/dbraw/zinc/12/81/67/942128167.db2.gz IZSKYPZGNWVXRH-OAHLLOKOSA-N 1 2 293.367 1.082 20 30 CDEDLO C#CCCCC(=O)NC1CC[NH+](Cc2nocc2C)CC1 ZINC001227107686 942133682 /nfs/dbraw/zinc/13/36/82/942133682.db2.gz HDODASHZMIOJHG-UHFFFAOYSA-N 1 2 289.379 1.867 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(-c4nnco4)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228306821 942293798 /nfs/dbraw/zinc/29/37/98/942293798.db2.gz QGJIUZMSSNMLJY-ABWMFPBJSA-N 1 2 299.330 1.728 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(-c4nnco4)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228306821 942293803 /nfs/dbraw/zinc/29/38/03/942293803.db2.gz QGJIUZMSSNMLJY-ABWMFPBJSA-N 1 2 299.330 1.728 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Oc1cc(F)cc(C#N)c1 ZINC001229035564 942410321 /nfs/dbraw/zinc/41/03/21/942410321.db2.gz WZNCYAUTULOEMY-NSHDSACASA-N 1 2 264.300 1.797 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C(C)(F)F)CC1 ZINC001316601440 942419975 /nfs/dbraw/zinc/41/99/75/942419975.db2.gz CLWIJYQIDPWEEY-LLVKDONJSA-N 1 2 270.323 1.588 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C(C)(F)F)CC1 ZINC001316601440 942419977 /nfs/dbraw/zinc/41/99/77/942419977.db2.gz CLWIJYQIDPWEEY-LLVKDONJSA-N 1 2 270.323 1.588 20 30 CDEDLO CN(C[C@H]1CC[N@@H+]1CCF)C(=O)CC#Cc1ccccc1 ZINC001316610611 942567872 /nfs/dbraw/zinc/56/78/72/942567872.db2.gz UOWDQGGIAMCOQN-MRXNPFEDSA-N 1 2 288.366 1.930 20 30 CDEDLO CN(C[C@H]1CC[N@H+]1CCF)C(=O)CC#Cc1ccccc1 ZINC001316610611 942567873 /nfs/dbraw/zinc/56/78/73/942567873.db2.gz UOWDQGGIAMCOQN-MRXNPFEDSA-N 1 2 288.366 1.930 20 30 CDEDLO N#Cc1cncc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC000721567482 942747925 /nfs/dbraw/zinc/74/79/25/942747925.db2.gz YBGYQSFYWKUPIL-LBPRGKRZSA-N 1 2 267.279 1.403 20 30 CDEDLO N#Cc1cncc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC000721567482 942747932 /nfs/dbraw/zinc/74/79/32/942747932.db2.gz YBGYQSFYWKUPIL-LBPRGKRZSA-N 1 2 267.279 1.403 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cccnc1 ZINC001231249111 942834594 /nfs/dbraw/zinc/83/45/94/942834594.db2.gz YUKSISIMFAXJQE-GXTWGEPZSA-N 1 2 272.352 1.274 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cccnc1 ZINC001231249111 942834602 /nfs/dbraw/zinc/83/46/02/942834602.db2.gz YUKSISIMFAXJQE-GXTWGEPZSA-N 1 2 272.352 1.274 20 30 CDEDLO C#Cc1cccc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)c1 ZINC001231659909 942966204 /nfs/dbraw/zinc/96/62/04/942966204.db2.gz WVBYJHHTGNJECL-AWEZNQCLSA-N 1 2 263.362 1.287 20 30 CDEDLO C#Cc1cccc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)c1 ZINC001231659909 942966207 /nfs/dbraw/zinc/96/62/07/942966207.db2.gz WVBYJHHTGNJECL-AWEZNQCLSA-N 1 2 263.362 1.287 20 30 CDEDLO COc1ncnc(OC)c1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001232518343 943315488 /nfs/dbraw/zinc/31/54/88/943315488.db2.gz YMNPAAOLRKMDGX-CNDDSTCGSA-N 1 2 288.351 1.760 20 30 CDEDLO COc1ncnc(OC)c1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001232518343 943315491 /nfs/dbraw/zinc/31/54/91/943315491.db2.gz YMNPAAOLRKMDGX-CNDDSTCGSA-N 1 2 288.351 1.760 20 30 CDEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@@H]1C ZINC001233492433 943601248 /nfs/dbraw/zinc/60/12/48/943601248.db2.gz WTJARBWVMOTTCH-GXSJLCMTSA-N 1 2 289.217 1.989 20 30 CDEDLO C=C(Br)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@@H]1C ZINC001233492433 943601249 /nfs/dbraw/zinc/60/12/49/943601249.db2.gz WTJARBWVMOTTCH-GXSJLCMTSA-N 1 2 289.217 1.989 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@H]1CC[N@@H+]1C/C=C\Cl ZINC001233935155 943694095 /nfs/dbraw/zinc/69/40/95/943694095.db2.gz AWZCPXJXNOLTFB-QZWGFMDZSA-N 1 2 286.803 1.599 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@H]1CC[N@H+]1C/C=C\Cl ZINC001233935155 943694097 /nfs/dbraw/zinc/69/40/97/943694097.db2.gz AWZCPXJXNOLTFB-QZWGFMDZSA-N 1 2 286.803 1.599 20 30 CDEDLO C=C(Cl)CN1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234010784 943715808 /nfs/dbraw/zinc/71/58/08/943715808.db2.gz HGCLNSUJHUQOCU-GFCCVEGCSA-N 1 2 296.802 1.628 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C(C)(F)F)n2CC=C)CC1 ZINC001262955558 943716674 /nfs/dbraw/zinc/71/66/74/943716674.db2.gz LHIJOONLJMQFAC-UHFFFAOYSA-N 1 2 295.337 1.331 20 30 CDEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccn1 ZINC001234118544 943745998 /nfs/dbraw/zinc/74/59/98/943745998.db2.gz JNIZUTLRCLLGKP-INIZCTEOSA-N 1 2 285.391 1.774 20 30 CDEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccn1 ZINC001234118544 943746001 /nfs/dbraw/zinc/74/60/01/943746001.db2.gz JNIZUTLRCLLGKP-INIZCTEOSA-N 1 2 285.391 1.774 20 30 CDEDLO Cc1oncc1C[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234159938 943759752 /nfs/dbraw/zinc/75/97/52/943759752.db2.gz DHXYEFBYTNXGQW-OAHLLOKOSA-N 1 2 289.379 1.675 20 30 CDEDLO Cc1oncc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234159938 943759757 /nfs/dbraw/zinc/75/97/57/943759757.db2.gz DHXYEFBYTNXGQW-OAHLLOKOSA-N 1 2 289.379 1.675 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001234554066 943891044 /nfs/dbraw/zinc/89/10/44/943891044.db2.gz DFLFFQWEVLPZDN-QWHCGFSZSA-N 1 2 295.427 1.256 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001234554066 943891052 /nfs/dbraw/zinc/89/10/52/943891052.db2.gz DFLFFQWEVLPZDN-QWHCGFSZSA-N 1 2 295.427 1.256 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c(F)ccc(N)c2F)CC1 ZINC000383707017 943973246 /nfs/dbraw/zinc/97/32/46/943973246.db2.gz GWVZCHNUWSEJJG-UHFFFAOYSA-N 1 2 265.307 1.298 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)CC(F)F ZINC001235226234 944098916 /nfs/dbraw/zinc/09/89/16/944098916.db2.gz OQUHPJYDPQHPEL-LLVKDONJSA-N 1 2 272.339 1.834 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)CC(F)F ZINC001235226234 944098917 /nfs/dbraw/zinc/09/89/17/944098917.db2.gz OQUHPJYDPQHPEL-LLVKDONJSA-N 1 2 272.339 1.834 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(F)cc1OCC#N ZINC001362243221 971062664 /nfs/dbraw/zinc/06/26/64/971062664.db2.gz JFWGOBFUSSMRIP-UHFFFAOYSA-N 1 2 288.282 1.941 20 30 CDEDLO COC(=O)[C@H]1CC[N@H+](Cc2c(F)cc(C#N)cc2F)C1 ZINC001235652467 944234058 /nfs/dbraw/zinc/23/40/58/944234058.db2.gz XIVCCSLIZQREGW-JTQLQIEISA-N 1 2 280.274 1.831 20 30 CDEDLO COC(=O)[C@H]1CC[N@@H+](Cc2c(F)cc(C#N)cc2F)C1 ZINC001235652467 944234066 /nfs/dbraw/zinc/23/40/66/944234066.db2.gz XIVCCSLIZQREGW-JTQLQIEISA-N 1 2 280.274 1.831 20 30 CDEDLO C[C@H]1CN(S(=O)(=O)CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000396355576 944749078 /nfs/dbraw/zinc/74/90/78/944749078.db2.gz GJEHMDBLNOACCD-ZDUSSCGKSA-N 1 2 293.392 1.046 20 30 CDEDLO C[C@H]1CN(S(=O)(=O)CC#N)CC[N@H+]1Cc1ccccc1 ZINC000396355576 944749084 /nfs/dbraw/zinc/74/90/84/944749084.db2.gz GJEHMDBLNOACCD-ZDUSSCGKSA-N 1 2 293.392 1.046 20 30 CDEDLO C#CC[NH+]1CCN(Cc2n[nH]c3cc(OC)ccc32)CC1 ZINC001237394331 944751367 /nfs/dbraw/zinc/75/13/67/944751367.db2.gz PLKMUKZPYXKQIU-UHFFFAOYSA-N 1 2 284.363 1.322 20 30 CDEDLO C=CCS(=O)(=O)Nc1c(C)[nH+]c2ccccn21 ZINC001259922797 945706165 /nfs/dbraw/zinc/70/61/65/945706165.db2.gz UYQLXDGVPLEAFI-UHFFFAOYSA-N 1 2 251.311 1.570 20 30 CDEDLO C=C(Cl)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C2CC2)n1 ZINC001479599650 971344169 /nfs/dbraw/zinc/34/41/69/971344169.db2.gz GHRKXOFAMNGAMK-UHFFFAOYSA-N 1 2 296.758 1.051 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1C[C@@H]2COC[C@]2(c2nc(C)no2)C1 ZINC001255170258 947761434 /nfs/dbraw/zinc/76/14/34/947761434.db2.gz PVCBLLIYZBLXEV-YRGRVCCFSA-N 1 2 276.340 1.270 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1C[C@@H]2COC[C@]2(c2nc(C)no2)C1 ZINC001255170258 947761441 /nfs/dbraw/zinc/76/14/41/947761441.db2.gz PVCBLLIYZBLXEV-YRGRVCCFSA-N 1 2 276.340 1.270 20 30 CDEDLO CC[C@H](CC#N)[NH+]1CCC(N2CCCCS2(=O)=O)CC1 ZINC001255178411 947767961 /nfs/dbraw/zinc/76/79/61/947767961.db2.gz GFGAQUNLGDGLKS-CYBMUJFWSA-N 1 2 299.440 1.569 20 30 CDEDLO Cc1cc(-c2noc([C@@H](CO)n3cc[nH+]c3)n2)ccc1C#N ZINC001247263757 948610406 /nfs/dbraw/zinc/61/04/06/948610406.db2.gz STPGGMFHLHHIIO-CYBMUJFWSA-N 1 2 295.302 1.695 20 30 CDEDLO C=CCCCNC(=S)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC001247740542 948734784 /nfs/dbraw/zinc/73/47/84/948734784.db2.gz FFXDECZNZUTIMM-CYBMUJFWSA-N 1 2 283.441 1.234 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1C1CCN(c2cccc(F)c2)CC1 ZINC001258419916 948844835 /nfs/dbraw/zinc/84/48/35/948844835.db2.gz IHAFPNUGRSYKKL-INIZCTEOSA-N 1 2 288.370 1.592 20 30 CDEDLO N#Cc1ccn2ncc(C[N@H+]3CC[C@@](F)(CO)C3)c2c1 ZINC001249082015 949367527 /nfs/dbraw/zinc/36/75/27/949367527.db2.gz DOCBXBMFHGXIPL-AWEZNQCLSA-N 1 2 274.299 1.112 20 30 CDEDLO N#Cc1ccn2ncc(C[N@@H+]3CC[C@@](F)(CO)C3)c2c1 ZINC001249082015 949367538 /nfs/dbraw/zinc/36/75/38/949367538.db2.gz DOCBXBMFHGXIPL-AWEZNQCLSA-N 1 2 274.299 1.112 20 30 CDEDLO CC[N@H+](CCC#N)C[C@@H](O)COc1cccc(F)c1 ZINC001250804793 950384956 /nfs/dbraw/zinc/38/49/56/950384956.db2.gz XTPCVSMVJKMRGQ-CYBMUJFWSA-N 1 2 266.316 1.801 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@@H](O)COc1cccc(F)c1 ZINC001250804793 950384975 /nfs/dbraw/zinc/38/49/75/950384975.db2.gz XTPCVSMVJKMRGQ-CYBMUJFWSA-N 1 2 266.316 1.801 20 30 CDEDLO CC[N@H+](CCC#N)C[C@H](O)COc1ccc(F)cc1F ZINC001250848260 950425185 /nfs/dbraw/zinc/42/51/85/950425185.db2.gz ALEVOJJOADJMFI-LBPRGKRZSA-N 1 2 284.306 1.940 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1ccc(F)cc1F ZINC001250848260 950425198 /nfs/dbraw/zinc/42/51/98/950425198.db2.gz ALEVOJJOADJMFI-LBPRGKRZSA-N 1 2 284.306 1.940 20 30 CDEDLO C=C[C@](C)(O)C[N@H+](CC(=O)OC)Cc1ccccc1 ZINC001252561363 951457971 /nfs/dbraw/zinc/45/79/71/951457971.db2.gz ZUHMEDPXPICGAI-HNNXBMFYSA-N 1 2 263.337 1.599 20 30 CDEDLO C=C[C@](C)(O)C[N@@H+](CC(=O)OC)Cc1ccccc1 ZINC001252561363 951457973 /nfs/dbraw/zinc/45/79/73/951457973.db2.gz ZUHMEDPXPICGAI-HNNXBMFYSA-N 1 2 263.337 1.599 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCc2[nH]nc(C(=O)OCC)c2C1 ZINC001252602515 951496529 /nfs/dbraw/zinc/49/65/29/951496529.db2.gz SVVLPFVXFIFBNW-LLVKDONJSA-N 1 2 293.367 1.272 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCc2[nH]nc(C(=O)OCC)c2C1 ZINC001252602515 951496534 /nfs/dbraw/zinc/49/65/34/951496534.db2.gz SVVLPFVXFIFBNW-LLVKDONJSA-N 1 2 293.367 1.272 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CC(C)(C)O ZINC001569115183 1169663787 /nfs/dbraw/zinc/66/37/87/1169663787.db2.gz OEJXZWPCCQCIPR-SNVBAGLBSA-N 1 2 262.781 1.336 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CC(C)(C)O ZINC001569115183 1169663790 /nfs/dbraw/zinc/66/37/90/1169663790.db2.gz OEJXZWPCCQCIPR-SNVBAGLBSA-N 1 2 262.781 1.336 20 30 CDEDLO COc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC001253954902 952163046 /nfs/dbraw/zinc/16/30/46/952163046.db2.gz HBHQOTORJRRIBQ-ZIAGYGMSSA-N 1 2 290.363 1.670 20 30 CDEDLO COc1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC001253954902 952163051 /nfs/dbraw/zinc/16/30/51/952163051.db2.gz HBHQOTORJRRIBQ-ZIAGYGMSSA-N 1 2 290.363 1.670 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccccn1 ZINC001480836265 971902532 /nfs/dbraw/zinc/90/25/32/971902532.db2.gz FOAWCFFBCMGCLD-UHFFFAOYSA-N 1 2 253.733 1.496 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccccn1 ZINC001480836265 971902535 /nfs/dbraw/zinc/90/25/35/971902535.db2.gz FOAWCFFBCMGCLD-UHFFFAOYSA-N 1 2 253.733 1.496 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1[nH]cnc1C ZINC001493067486 971938066 /nfs/dbraw/zinc/93/80/66/971938066.db2.gz OMRCTAMAIKUOQM-UHFFFAOYSA-N 1 2 270.764 1.522 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1[nH]cnc1C ZINC001493067486 971938072 /nfs/dbraw/zinc/93/80/72/971938072.db2.gz OMRCTAMAIKUOQM-UHFFFAOYSA-N 1 2 270.764 1.522 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001363196840 971963725 /nfs/dbraw/zinc/96/37/25/971963725.db2.gz OILLDFRXIGMRJC-UONOGXRCSA-N 1 2 274.320 1.229 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001363196840 971963731 /nfs/dbraw/zinc/96/37/31/971963731.db2.gz OILLDFRXIGMRJC-UONOGXRCSA-N 1 2 274.320 1.229 20 30 CDEDLO C=CC[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(=O)OCC ZINC001327095974 954700998 /nfs/dbraw/zinc/70/09/98/954700998.db2.gz FXUKOSWWVSKWTL-PWSUYJOCSA-N 1 2 279.340 1.212 20 30 CDEDLO C=CC[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(=O)OCC ZINC001327095974 954701006 /nfs/dbraw/zinc/70/10/06/954701006.db2.gz FXUKOSWWVSKWTL-PWSUYJOCSA-N 1 2 279.340 1.212 20 30 CDEDLO CCO[C@H](C)C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001492197160 955698305 /nfs/dbraw/zinc/69/83/05/955698305.db2.gz PNKLXWCFXNDFLX-CYBMUJFWSA-N 1 2 289.379 1.531 20 30 CDEDLO CCO[C@H](C)C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001492197160 955698311 /nfs/dbraw/zinc/69/83/11/955698311.db2.gz PNKLXWCFXNDFLX-CYBMUJFWSA-N 1 2 289.379 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccsn1 ZINC001422169632 955805902 /nfs/dbraw/zinc/80/59/02/955805902.db2.gz IHFPBXFRQLSYLI-UHFFFAOYSA-N 1 2 273.789 1.899 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccsn1 ZINC001422169632 955805914 /nfs/dbraw/zinc/80/59/14/955805914.db2.gz IHFPBXFRQLSYLI-UHFFFAOYSA-N 1 2 273.789 1.899 20 30 CDEDLO N#Cc1ccc(CC(=O)N2CCc3cc[nH+]c(N)c3C2)cc1 ZINC001363409894 972145478 /nfs/dbraw/zinc/14/54/78/972145478.db2.gz OAJIUBZYWGWFBW-UHFFFAOYSA-N 1 2 292.342 1.663 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC2(COC)CC2)C1 ZINC001365976269 956482579 /nfs/dbraw/zinc/48/25/79/956482579.db2.gz MBGJNRCTUPFXQJ-LBPRGKRZSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2(COC)CC2)C1 ZINC001365976269 956482580 /nfs/dbraw/zinc/48/25/80/956482580.db2.gz MBGJNRCTUPFXQJ-LBPRGKRZSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)COC2CCCC2)C1 ZINC001365995796 956496189 /nfs/dbraw/zinc/49/61/89/956496189.db2.gz ZWMJKGMJQOXVQV-GFCCVEGCSA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)COC2CCCC2)C1 ZINC001365995796 956496193 /nfs/dbraw/zinc/49/61/93/956496193.db2.gz ZWMJKGMJQOXVQV-GFCCVEGCSA-N 1 2 286.803 1.889 20 30 CDEDLO C=CCC1(O)C[NH+]([C@@H]2CCC3(C[C@H]2F)OCCO3)C1 ZINC001308979905 956608609 /nfs/dbraw/zinc/60/86/09/956608609.db2.gz JIRFMUAYDCJNED-VXGBXAGGSA-N 1 2 271.332 1.243 20 30 CDEDLO C#CCOCC[N@@H+](C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC001319657086 958675811 /nfs/dbraw/zinc/67/58/11/958675811.db2.gz SCUQGYMLZVYYCG-LBPRGKRZSA-N 1 2 285.347 1.978 20 30 CDEDLO C#CCOCC[N@H+](C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC001319657086 958675817 /nfs/dbraw/zinc/67/58/17/958675817.db2.gz SCUQGYMLZVYYCG-LBPRGKRZSA-N 1 2 285.347 1.978 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)c2cn[nH]n2)C1 ZINC001368228090 958718162 /nfs/dbraw/zinc/71/81/62/958718162.db2.gz MQEZSPFFBGUFPA-ZDUSSCGKSA-N 1 2 297.790 1.389 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)c2cn[nH]n2)C1 ZINC001368228090 958718173 /nfs/dbraw/zinc/71/81/73/958718173.db2.gz MQEZSPFFBGUFPA-ZDUSSCGKSA-N 1 2 297.790 1.389 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)c2cnn[nH]2)C1 ZINC001368228090 958718190 /nfs/dbraw/zinc/71/81/90/958718190.db2.gz MQEZSPFFBGUFPA-ZDUSSCGKSA-N 1 2 297.790 1.389 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)c2cnn[nH]2)C1 ZINC001368228090 958718204 /nfs/dbraw/zinc/71/82/04/958718204.db2.gz MQEZSPFFBGUFPA-ZDUSSCGKSA-N 1 2 297.790 1.389 20 30 CDEDLO C#CCN(CC1CC1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001320141033 958965612 /nfs/dbraw/zinc/96/56/12/958965612.db2.gz ZISGFPGFEKBDAF-ZDUSSCGKSA-N 1 2 257.337 1.317 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1c(C)n[nH]c1C ZINC001369007857 959395736 /nfs/dbraw/zinc/39/57/36/959395736.db2.gz UEFOQTKSJPRGSL-SNVBAGLBSA-N 1 2 298.818 1.758 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1c(C)n[nH]c1C ZINC001369007857 959395754 /nfs/dbraw/zinc/39/57/54/959395754.db2.gz UEFOQTKSJPRGSL-SNVBAGLBSA-N 1 2 298.818 1.758 20 30 CDEDLO C[C@@H](C(=O)NCc1ccc(C#N)c(F)c1)n1cc[nH+]c1 ZINC001434082490 960956676 /nfs/dbraw/zinc/95/66/76/960956676.db2.gz JUDCBAVVUUHWKC-JTQLQIEISA-N 1 2 272.283 1.771 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CC[C@@H](C)OC)C1 ZINC001419017808 961270804 /nfs/dbraw/zinc/27/08/04/961270804.db2.gz QQPQJJTZSIGQQN-LLVKDONJSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](OCC)C1CC1 ZINC001420217588 962592656 /nfs/dbraw/zinc/59/26/56/962592656.db2.gz MFLSKASWQVBLKA-LBPRGKRZSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](OCC)C1CC1 ZINC001420217588 962592663 /nfs/dbraw/zinc/59/26/63/962592663.db2.gz MFLSKASWQVBLKA-LBPRGKRZSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cc1cnn(CC)c1 ZINC001437545071 963009467 /nfs/dbraw/zinc/00/94/67/963009467.db2.gz YHSOJOVMUZKPGR-UHFFFAOYSA-N 1 2 284.791 1.246 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cc1cnn(CC)c1 ZINC001437545071 963009474 /nfs/dbraw/zinc/00/94/74/963009474.db2.gz YHSOJOVMUZKPGR-UHFFFAOYSA-N 1 2 284.791 1.246 20 30 CDEDLO C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)CCc1cnn[nH]1 ZINC001421134825 963470135 /nfs/dbraw/zinc/47/01/35/963470135.db2.gz LFZIKIRJRGPNQT-GFCCVEGCSA-N 1 2 297.790 1.070 20 30 CDEDLO N#CC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001442550334 965109589 /nfs/dbraw/zinc/10/95/89/965109589.db2.gz ZDHRCVIBRBKMKK-GFCCVEGCSA-N 1 2 258.325 1.208 20 30 CDEDLO C=C1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001347989473 965779379 /nfs/dbraw/zinc/77/93/79/965779379.db2.gz CVDDOQKGXKMLNK-UHFFFAOYSA-N 1 2 260.341 1.470 20 30 CDEDLO C=C1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001347989473 965779387 /nfs/dbraw/zinc/77/93/87/965779387.db2.gz CVDDOQKGXKMLNK-UHFFFAOYSA-N 1 2 260.341 1.470 20 30 CDEDLO Cn1cc(C#N)cc1C(=O)OCCc1cn2c([nH+]1)CCCC2 ZINC001548590877 967616985 /nfs/dbraw/zinc/61/69/85/967616985.db2.gz DERHWFRCDYYFSX-UHFFFAOYSA-N 1 2 298.346 1.829 20 30 CDEDLO CN(C)c1cc[nH+]c(NC(=O)c2cc(C#N)ccn2)c1 ZINC001466378135 969950307 /nfs/dbraw/zinc/95/03/07/969950307.db2.gz IVLWCKUZGVHTKM-UHFFFAOYSA-N 1 2 267.292 1.667 20 30 CDEDLO N#CC[C@@H](C(=O)N1CCn2c[nH+]cc2C1)c1ccccc1 ZINC001468666833 970184146 /nfs/dbraw/zinc/18/41/46/970184146.db2.gz BGMBPYDYIWGVMX-OAHLLOKOSA-N 1 2 280.331 1.923 20 30 CDEDLO CC[C@@H](C(=O)N(CC)CCC#N)[N@@H+]1CCO[C@@H](CC)C1 ZINC001361968093 970725118 /nfs/dbraw/zinc/72/51/18/970725118.db2.gz VWXYTCLQEAFOEB-KBPBESRZSA-N 1 2 281.400 1.638 20 30 CDEDLO CC[C@@H](C(=O)N(CC)CCC#N)[N@H+]1CCO[C@@H](CC)C1 ZINC001361968093 970725123 /nfs/dbraw/zinc/72/51/23/970725123.db2.gz VWXYTCLQEAFOEB-KBPBESRZSA-N 1 2 281.400 1.638 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H](CC)OC)C1CC1 ZINC001377521508 975061971 /nfs/dbraw/zinc/06/19/71/975061971.db2.gz UGPSMKCAWKQAAH-LBPRGKRZSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H](CC)OC)C1CC1 ZINC001377521508 975061976 /nfs/dbraw/zinc/06/19/76/975061976.db2.gz UGPSMKCAWKQAAH-LBPRGKRZSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@]1(F)CCOC1)C1CC1 ZINC001377542947 975069480 /nfs/dbraw/zinc/06/94/80/975069480.db2.gz UVXSPJSXLOFQMH-ZDUSSCGKSA-N 1 2 290.766 1.448 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@]1(F)CCOC1)C1CC1 ZINC001377542947 975069485 /nfs/dbraw/zinc/06/94/85/975069485.db2.gz UVXSPJSXLOFQMH-ZDUSSCGKSA-N 1 2 290.766 1.448 20 30 CDEDLO Cc1conc1C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001390838890 976551627 /nfs/dbraw/zinc/55/16/27/976551627.db2.gz WMHLKYGYDCJVHI-UHFFFAOYSA-N 1 2 298.346 1.717 20 30 CDEDLO Cc1conc1C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001390838890 976551632 /nfs/dbraw/zinc/55/16/32/976551632.db2.gz WMHLKYGYDCJVHI-UHFFFAOYSA-N 1 2 298.346 1.717 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCc2cnn(C)c2)C1 ZINC001400689483 977140336 /nfs/dbraw/zinc/14/03/36/977140336.db2.gz ZHAGZGIGPNSYIO-CYBMUJFWSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCc2cnn(C)c2)C1 ZINC001400689483 977140341 /nfs/dbraw/zinc/14/03/41/977140341.db2.gz ZHAGZGIGPNSYIO-CYBMUJFWSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)COCc1cccnc1 ZINC001403750043 977175454 /nfs/dbraw/zinc/17/54/54/977175454.db2.gz KTGHJEWZKMKZQE-UHFFFAOYSA-N 1 2 297.786 1.399 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)COCc1cccnc1 ZINC001403750043 977175461 /nfs/dbraw/zinc/17/54/61/977175461.db2.gz KTGHJEWZKMKZQE-UHFFFAOYSA-N 1 2 297.786 1.399 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cncc(F)c1 ZINC001392267415 977296424 /nfs/dbraw/zinc/29/64/24/977296424.db2.gz ZTOWELPZYPOFFR-UHFFFAOYSA-N 1 2 285.750 1.977 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cncc(F)c1 ZINC001392267415 977296429 /nfs/dbraw/zinc/29/64/29/977296429.db2.gz ZTOWELPZYPOFFR-UHFFFAOYSA-N 1 2 285.750 1.977 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001132565828 1163374391 /nfs/dbraw/zinc/37/43/91/1163374391.db2.gz ZZXKSRCWAQTXQZ-UWVGGRQHSA-N 1 2 266.345 1.042 20 30 CDEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nncs1 ZINC001132574086 1163383799 /nfs/dbraw/zinc/38/37/99/1163383799.db2.gz UZCJEGLDNGHPIP-ZJUUUORDSA-N 1 2 268.386 1.202 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[NH2+]Cc1nc(CCC)no1 ZINC001132667506 1163431425 /nfs/dbraw/zinc/43/14/25/1163431425.db2.gz MSGRGVSMOQLOLT-GFCCVEGCSA-N 1 2 294.399 1.830 20 30 CDEDLO C=CCCC1(C(=O)NCC[NH2+]Cc2nnc(CC)o2)CC1 ZINC001133376146 1163661245 /nfs/dbraw/zinc/66/12/45/1163661245.db2.gz ZJIDMFFPPXFCJS-UHFFFAOYSA-N 1 2 292.383 1.584 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001133379215 1163662163 /nfs/dbraw/zinc/66/21/63/1163662163.db2.gz WJBMGSQGTDMFIR-OAHLLOKOSA-N 1 2 292.383 1.755 20 30 CDEDLO COCC[N@H+](CCC#N)Cc1cccc2n[nH]cc21 ZINC000600117786 341978177 /nfs/dbraw/zinc/97/81/77/341978177.db2.gz OXSABZTWSRKEDP-UHFFFAOYSA-N 1 2 258.325 1.925 20 30 CDEDLO COCC[N@@H+](CCC#N)Cc1cccc2n[nH]cc21 ZINC000600117786 341978178 /nfs/dbraw/zinc/97/81/78/341978178.db2.gz OXSABZTWSRKEDP-UHFFFAOYSA-N 1 2 258.325 1.925 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000589300246 342503102 /nfs/dbraw/zinc/50/31/02/342503102.db2.gz LDFBLYPANQDXFW-AGIUHOORSA-N 1 2 265.353 1.748 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000589300246 342503103 /nfs/dbraw/zinc/50/31/03/342503103.db2.gz LDFBLYPANQDXFW-AGIUHOORSA-N 1 2 265.353 1.748 20 30 CDEDLO N#Cc1cccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)n1 ZINC000589359192 342504653 /nfs/dbraw/zinc/50/46/53/342504653.db2.gz AKYDERFQKSWJQF-UHFFFAOYSA-N 1 2 281.319 1.627 20 30 CDEDLO C[C@H]1C[N@H+](CCNc2ccc(C#N)c([N+](=O)[O-])c2)CCO1 ZINC000589570364 342508815 /nfs/dbraw/zinc/50/88/15/342508815.db2.gz QXKOTWFXLUFUMD-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@H]1C[N@@H+](CCNc2ccc(C#N)c([N+](=O)[O-])c2)CCO1 ZINC000589570364 342508816 /nfs/dbraw/zinc/50/88/16/342508816.db2.gz QXKOTWFXLUFUMD-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO Cc1noc([C@@H]2OCC[C@@H]2Nc2cc(C)[nH+]cc2C#N)n1 ZINC000599195969 343978813 /nfs/dbraw/zinc/97/88/13/343978813.db2.gz OMSFABLNDLNEPR-WCQYABFASA-N 1 2 285.307 1.317 20 30 CDEDLO COC(=O)[C@@H](NCc1c[nH+]cn1C)c1cccc(C#N)c1 ZINC000290610849 342535865 /nfs/dbraw/zinc/53/58/65/342535865.db2.gz KGAHNUXUIPXZKA-AWEZNQCLSA-N 1 2 284.319 1.296 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1cnn(C)c1 ZINC000053096736 342057486 /nfs/dbraw/zinc/05/74/86/342057486.db2.gz OMMDMMSMEVBGTR-UHFFFAOYSA-N 1 2 264.373 1.277 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1cnn(C)c1 ZINC000053096736 342057487 /nfs/dbraw/zinc/05/74/87/342057487.db2.gz OMMDMMSMEVBGTR-UHFFFAOYSA-N 1 2 264.373 1.277 20 30 CDEDLO CCC#C[C@H](C)[N@@H+]1CCc2[nH]nc(C(=O)OC)c2C1 ZINC000590760312 342592255 /nfs/dbraw/zinc/59/22/55/342592255.db2.gz JYPVNCIHTZUQRS-JTQLQIEISA-N 1 2 261.325 1.356 20 30 CDEDLO CCC#C[C@H](C)[N@H+]1CCc2[nH]nc(C(=O)OC)c2C1 ZINC000590760312 342592256 /nfs/dbraw/zinc/59/22/56/342592256.db2.gz JYPVNCIHTZUQRS-JTQLQIEISA-N 1 2 261.325 1.356 20 30 CDEDLO CCC#C[C@@H](C)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000590962232 342611638 /nfs/dbraw/zinc/61/16/38/342611638.db2.gz KVXDARSMFMGDJA-CYBMUJFWSA-N 1 2 288.351 1.914 20 30 CDEDLO COc1cc(C)cc(NC[C@@H](O)C[N@H+](C)CCC#N)c1C ZINC000591777233 342646255 /nfs/dbraw/zinc/64/62/55/342646255.db2.gz XZAAMJLBDKIPOW-CQSZACIVSA-N 1 2 291.395 1.930 20 30 CDEDLO COc1cc(C)cc(NC[C@@H](O)C[N@@H+](C)CCC#N)c1C ZINC000591777233 342646256 /nfs/dbraw/zinc/64/62/56/342646256.db2.gz XZAAMJLBDKIPOW-CQSZACIVSA-N 1 2 291.395 1.930 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2cccc(Cl)c2)C1 ZINC000592147291 342673668 /nfs/dbraw/zinc/67/36/68/342673668.db2.gz NIUGABRAVISUKI-AWEZNQCLSA-N 1 2 293.754 1.629 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2cccc(Cl)c2)C1 ZINC000592147291 342673670 /nfs/dbraw/zinc/67/36/70/342673670.db2.gz NIUGABRAVISUKI-AWEZNQCLSA-N 1 2 293.754 1.629 20 30 CDEDLO C[C@@H](NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1cccs1 ZINC000592147650 342668209 /nfs/dbraw/zinc/66/82/09/342668209.db2.gz MZHULSZITYSAFH-RISCZKNCSA-N 1 2 293.392 1.276 20 30 CDEDLO C[C@@H](NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1cccs1 ZINC000592147650 342668210 /nfs/dbraw/zinc/66/82/10/342668210.db2.gz MZHULSZITYSAFH-RISCZKNCSA-N 1 2 293.392 1.276 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)N1CCc2[nH+]c[nH]c2C1 ZINC000625437519 342161815 /nfs/dbraw/zinc/16/18/15/342161815.db2.gz HLQCMRXSGUEYRA-LBPRGKRZSA-N 1 2 276.384 1.581 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000592522696 342702300 /nfs/dbraw/zinc/70/23/00/342702300.db2.gz QBRCZYWYUTWYTF-ZDUSSCGKSA-N 1 2 270.254 1.954 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000592522696 342702301 /nfs/dbraw/zinc/70/23/01/342702301.db2.gz QBRCZYWYUTWYTF-ZDUSSCGKSA-N 1 2 270.254 1.954 20 30 CDEDLO Cc1cccc(OCCC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000593156352 342774558 /nfs/dbraw/zinc/77/45/58/342774558.db2.gz TVRZZDLYEOUVPF-INIZCTEOSA-N 1 2 289.379 1.724 20 30 CDEDLO CC(C)(C#N)c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000329707658 361885440 /nfs/dbraw/zinc/88/54/40/361885440.db2.gz KQOSDAXAIQOXHE-GHMZBOCLSA-N 1 2 276.340 1.797 20 30 CDEDLO CC(C)(C#N)c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000329707658 361885442 /nfs/dbraw/zinc/88/54/42/361885442.db2.gz KQOSDAXAIQOXHE-GHMZBOCLSA-N 1 2 276.340 1.797 20 30 CDEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCCn1cc[nH+]c1 ZINC000070432092 361960319 /nfs/dbraw/zinc/96/03/19/361960319.db2.gz ATASGRKHLQVIGC-UHFFFAOYSA-N 1 2 290.348 1.042 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000593998762 342861987 /nfs/dbraw/zinc/86/19/87/342861987.db2.gz YGPZZEBKDQMSTJ-OLZOCXBDSA-N 1 2 277.368 1.573 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000593998762 342861989 /nfs/dbraw/zinc/86/19/89/342861989.db2.gz YGPZZEBKDQMSTJ-OLZOCXBDSA-N 1 2 277.368 1.573 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CCCCCC#N ZINC000588724151 342220173 /nfs/dbraw/zinc/22/01/73/342220173.db2.gz KJVZCWPIGXOHPS-AWEZNQCLSA-N 1 2 281.400 1.640 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@](C)(C#N)C1 ZINC000619442773 349712967 /nfs/dbraw/zinc/71/29/67/349712967.db2.gz QVSIIDXEBPXKSF-CQSZACIVSA-N 1 2 260.341 1.505 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCCc1c(F)cccc1F ZINC000076185637 342320012 /nfs/dbraw/zinc/32/00/12/342320012.db2.gz HMOVYWGXHHUDJH-UHFFFAOYSA-N 1 2 290.313 1.192 20 30 CDEDLO C[C@@]1(C#N)CCC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000599362533 344026412 /nfs/dbraw/zinc/02/64/12/344026412.db2.gz OYGQYKJUEGMJAE-WBVHZDCISA-N 1 2 299.374 1.924 20 30 CDEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000599362533 344026413 /nfs/dbraw/zinc/02/64/13/344026413.db2.gz OYGQYKJUEGMJAE-WBVHZDCISA-N 1 2 299.374 1.924 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)Cc1c[nH+]c[nH]1 ZINC000595595015 343098450 /nfs/dbraw/zinc/09/84/50/343098450.db2.gz ANEYKDNYPQPQOR-GFCCVEGCSA-N 1 2 289.383 1.573 20 30 CDEDLO CCC#C[C@H](C)[N@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000645016719 362047640 /nfs/dbraw/zinc/04/76/40/362047640.db2.gz KTPMMPJDBGUSQH-LBPRGKRZSA-N 1 2 280.393 1.568 20 30 CDEDLO CCC#C[C@H](C)[N@@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000645016719 362047646 /nfs/dbraw/zinc/04/76/46/362047646.db2.gz KTPMMPJDBGUSQH-LBPRGKRZSA-N 1 2 280.393 1.568 20 30 CDEDLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329776484 362049524 /nfs/dbraw/zinc/04/95/24/362049524.db2.gz ODZLMJKMHQQMLY-INTQDDNPSA-N 1 2 267.329 1.271 20 30 CDEDLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329776484 362049527 /nfs/dbraw/zinc/04/95/27/362049527.db2.gz ODZLMJKMHQQMLY-INTQDDNPSA-N 1 2 267.329 1.271 20 30 CDEDLO N#CC[C@@H]1CCCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000595590098 343094946 /nfs/dbraw/zinc/09/49/46/343094946.db2.gz RUTLIOKKUSRLKR-QWHCGFSZSA-N 1 2 287.367 1.533 20 30 CDEDLO COc1ccc(C[N@H+](C)Cc2cn(C)nn2)cc1C#N ZINC000595758104 343143261 /nfs/dbraw/zinc/14/32/61/343143261.db2.gz JMCPXTMHVZZNGW-UHFFFAOYSA-N 1 2 271.324 1.327 20 30 CDEDLO COc1ccc(C[N@@H+](C)Cc2cn(C)nn2)cc1C#N ZINC000595758104 343143262 /nfs/dbraw/zinc/14/32/62/343143262.db2.gz JMCPXTMHVZZNGW-UHFFFAOYSA-N 1 2 271.324 1.327 20 30 CDEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H](OC)C2)c1C#N ZINC000535047267 282230669 /nfs/dbraw/zinc/23/06/69/282230669.db2.gz IGLKBKWKOJXOHU-ZDUSSCGKSA-N 1 2 288.347 1.956 20 30 CDEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](OC)C2)c1C#N ZINC000535047267 282230670 /nfs/dbraw/zinc/23/06/70/282230670.db2.gz IGLKBKWKOJXOHU-ZDUSSCGKSA-N 1 2 288.347 1.956 20 30 CDEDLO N#Cc1cc([N+](=O)[O-])cnc1N1CCc2[nH+]c[nH]c2C1 ZINC000596237287 343282954 /nfs/dbraw/zinc/28/29/54/343282954.db2.gz SSZYWEFLCIJVTG-UHFFFAOYSA-N 1 2 270.252 1.147 20 30 CDEDLO CCc1nc(C#N)cc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)n1 ZINC000596258172 343276783 /nfs/dbraw/zinc/27/67/83/343276783.db2.gz WIGHYGSYDDEWME-GXSJLCMTSA-N 1 2 268.324 1.647 20 30 CDEDLO C[C@H](Nc1cnccc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000094155979 342429927 /nfs/dbraw/zinc/42/99/27/342429927.db2.gz UEOJLLTZSMSLEH-RYUDHWBXSA-N 1 2 260.341 1.474 20 30 CDEDLO Cc1nnc([C@@H]2C[N@@H+]([C@H]3CC[C@@H](C#N)C3)CCO2)[nH]1 ZINC000330236605 362186888 /nfs/dbraw/zinc/18/68/88/362186888.db2.gz HHWKAQJDQWMRFA-WOPDTQHZSA-N 1 2 261.329 1.179 20 30 CDEDLO Cc1nnc([C@@H]2C[N@H+]([C@H]3CC[C@@H](C#N)C3)CCO2)[nH]1 ZINC000330236605 362186893 /nfs/dbraw/zinc/18/68/93/362186893.db2.gz HHWKAQJDQWMRFA-WOPDTQHZSA-N 1 2 261.329 1.179 20 30 CDEDLO CC(C)C[C@H](C#N)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597073136 343438962 /nfs/dbraw/zinc/43/89/62/343438962.db2.gz DSVOTLLRDIYVSB-WDEREUQCSA-N 1 2 260.341 1.569 20 30 CDEDLO CC(C)C[C@H](C#N)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597073136 343438964 /nfs/dbraw/zinc/43/89/64/343438964.db2.gz DSVOTLLRDIYVSB-WDEREUQCSA-N 1 2 260.341 1.569 20 30 CDEDLO COC(=O)[C@@]1([NH2+]CCCCC(C)(C)C#N)CCOC1 ZINC000444680643 362199390 /nfs/dbraw/zinc/19/93/90/362199390.db2.gz GNQLQHLGUOCUSP-CQSZACIVSA-N 1 2 268.357 1.628 20 30 CDEDLO Cc1cnn(C)c1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000289136604 136399694 /nfs/dbraw/zinc/39/96/94/136399694.db2.gz PCFPRQLVHRRGNG-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO COCC[N@H+](CCC#N)Cc1cc2ccccc2[nH]c1=O ZINC000072688908 349812244 /nfs/dbraw/zinc/81/22/44/349812244.db2.gz YBTDDAQBHWLOEQ-UHFFFAOYSA-N 1 2 285.347 1.890 20 30 CDEDLO COCC[N@@H+](CCC#N)Cc1cc2ccccc2[nH]c1=O ZINC000072688908 349812249 /nfs/dbraw/zinc/81/22/49/349812249.db2.gz YBTDDAQBHWLOEQ-UHFFFAOYSA-N 1 2 285.347 1.890 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc3ccccc3n2)C1 ZINC000330156834 529782502 /nfs/dbraw/zinc/78/25/02/529782502.db2.gz PHUDZDIKDBBILI-ZDUSSCGKSA-N 1 2 288.351 1.323 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNC(=O)Cn2cc3ccccc3n2)C1 ZINC000330156834 529782503 /nfs/dbraw/zinc/78/25/03/529782503.db2.gz PHUDZDIKDBBILI-ZDUSSCGKSA-N 1 2 288.351 1.323 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C1(C#N)CCCC1 ZINC000598000493 343685673 /nfs/dbraw/zinc/68/56/73/343685673.db2.gz VFQJGWSRDIPLAW-OLZOCXBDSA-N 1 2 279.384 1.296 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C1(C#N)CCCC1 ZINC000598000493 343685674 /nfs/dbraw/zinc/68/56/74/343685674.db2.gz VFQJGWSRDIPLAW-OLZOCXBDSA-N 1 2 279.384 1.296 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000619719567 349869730 /nfs/dbraw/zinc/86/97/30/349869730.db2.gz KWPGIZIXBRGPFL-AWEZNQCLSA-N 1 2 294.395 1.439 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612108240 347023332 /nfs/dbraw/zinc/02/33/32/347023332.db2.gz UFBFRWARQJAANC-ZFWWWQNUSA-N 1 2 294.399 1.042 20 30 CDEDLO CC[N@@H+](Cc1ccc(S(N)(=O)=O)cc1)C[C@H](C)C#N ZINC000602446975 344432960 /nfs/dbraw/zinc/43/29/60/344432960.db2.gz JHPMFYYJBBQSSX-LLVKDONJSA-N 1 2 281.381 1.316 20 30 CDEDLO CC[N@H+](Cc1ccc(S(N)(=O)=O)cc1)C[C@H](C)C#N ZINC000602446975 344432961 /nfs/dbraw/zinc/43/29/61/344432961.db2.gz JHPMFYYJBBQSSX-LLVKDONJSA-N 1 2 281.381 1.316 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000602334409 344403309 /nfs/dbraw/zinc/40/33/09/344403309.db2.gz RHQTZQZGOKESFA-DLTWYDFYSA-N 1 2 283.375 1.532 20 30 CDEDLO C[C@@]1(C#N)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000612163310 347065387 /nfs/dbraw/zinc/06/53/87/347065387.db2.gz RFKYLBRSWFLHKH-LBPRGKRZSA-N 1 2 263.301 1.417 20 30 CDEDLO C[C@@]1(C#N)CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000612163310 347065390 /nfs/dbraw/zinc/06/53/90/347065390.db2.gz RFKYLBRSWFLHKH-LBPRGKRZSA-N 1 2 263.301 1.417 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)NCCc1ccccc1 ZINC000602864219 344637718 /nfs/dbraw/zinc/63/77/18/344637718.db2.gz QLLQOCOONSXHCU-QWHCGFSZSA-N 1 2 259.353 1.626 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1cc(F)ccc1F ZINC000602865130 344638297 /nfs/dbraw/zinc/63/82/97/344638297.db2.gz WKKWTNVKGSFRLP-QMMMGPOBSA-N 1 2 253.252 1.795 20 30 CDEDLO COC(=O)c1sccc1NC(=O)C[NH2+][C@H](C)CC#N ZINC000602864689 344638415 /nfs/dbraw/zinc/63/84/15/344638415.db2.gz SORLKDFPTNAGMP-MRVPVSSYSA-N 1 2 281.337 1.365 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC000602870780 344641247 /nfs/dbraw/zinc/64/12/47/344641247.db2.gz WVPXFWIEOYSFGW-NEPJUHHUSA-N 1 2 288.351 1.293 20 30 CDEDLO CC1CCN(C(=O)C[N@@H+]2CCC[C@](C)(C#N)C2)CC1 ZINC000612167888 347066252 /nfs/dbraw/zinc/06/62/52/347066252.db2.gz YKAVEVJNVTZGFQ-OAHLLOKOSA-N 1 2 263.385 1.871 20 30 CDEDLO CC1CCN(C(=O)C[N@H+]2CCC[C@](C)(C#N)C2)CC1 ZINC000612167888 347066254 /nfs/dbraw/zinc/06/62/54/347066254.db2.gz YKAVEVJNVTZGFQ-OAHLLOKOSA-N 1 2 263.385 1.871 20 30 CDEDLO N#CC1(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000609989787 346054892 /nfs/dbraw/zinc/05/48/92/346054892.db2.gz HUERYPHTHWWBNI-UHFFFAOYSA-N 1 2 285.347 1.305 20 30 CDEDLO CC[C@](C)(C#N)c1nc([C@@H]2C[N@H+](C)CCN2C)no1 ZINC000350051855 346324800 /nfs/dbraw/zinc/32/48/00/346324800.db2.gz RJIWIZNOGYILLU-GXFFZTMASA-N 1 2 263.345 1.179 20 30 CDEDLO CC[C@](C)(C#N)c1nc([C@@H]2C[N@@H+](C)CCN2C)no1 ZINC000350051855 346324804 /nfs/dbraw/zinc/32/48/04/346324804.db2.gz RJIWIZNOGYILLU-GXFFZTMASA-N 1 2 263.345 1.179 20 30 CDEDLO CC(C)N(C(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1)C(C)C ZINC000611174949 346628616 /nfs/dbraw/zinc/62/86/16/346628616.db2.gz PRNHSTRUFKNHEI-HNNXBMFYSA-N 1 2 294.443 1.552 20 30 CDEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CC2(C#N)CCC2)C1 ZINC000450580577 362836200 /nfs/dbraw/zinc/83/62/00/362836200.db2.gz CREPKURIRJBIHQ-GFCCVEGCSA-N 1 2 285.413 1.082 20 30 CDEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](CC2(C#N)CCC2)C1 ZINC000450580577 362836204 /nfs/dbraw/zinc/83/62/04/362836204.db2.gz CREPKURIRJBIHQ-GFCCVEGCSA-N 1 2 285.413 1.082 20 30 CDEDLO C=C[C@@H](CO)Nc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000450531573 362830190 /nfs/dbraw/zinc/83/01/90/362830190.db2.gz JHVRYMJMPNOMPY-JTQLQIEISA-N 1 2 258.325 1.077 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000619718828 348189680 /nfs/dbraw/zinc/18/96/80/348189680.db2.gz AIXGBMCPWMRBPP-ZDUSSCGKSA-N 1 2 280.368 1.191 20 30 CDEDLO C=C[C@@H](C(=O)OC)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000619719156 348190114 /nfs/dbraw/zinc/19/01/14/348190114.db2.gz AYBHFJZAOGZRBX-AWEZNQCLSA-N 1 2 293.367 1.137 20 30 CDEDLO CCc1ccc(OC[C@H](O)C[N@H+](C)CCC#N)c(OC)c1 ZINC000414148475 362924230 /nfs/dbraw/zinc/92/42/30/362924230.db2.gz NEANXYIGKCQAFX-CQSZACIVSA-N 1 2 292.379 1.843 20 30 CDEDLO CCc1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)c(OC)c1 ZINC000414148475 362924232 /nfs/dbraw/zinc/92/42/32/362924232.db2.gz NEANXYIGKCQAFX-CQSZACIVSA-N 1 2 292.379 1.843 20 30 CDEDLO CC1(C)C[N@H+](CC(=O)NC2(C#N)CCC2)C(C)(C)CO1 ZINC000615224901 348397822 /nfs/dbraw/zinc/39/78/22/348397822.db2.gz NSCWRBPRIXEPRC-UHFFFAOYSA-N 1 2 279.384 1.438 20 30 CDEDLO CC1(C)C[N@@H+](CC(=O)NC2(C#N)CCC2)C(C)(C)CO1 ZINC000615224901 348397823 /nfs/dbraw/zinc/39/78/23/348397823.db2.gz NSCWRBPRIXEPRC-UHFFFAOYSA-N 1 2 279.384 1.438 20 30 CDEDLO Cc1ccnc(N(C)CC[NH+]2CCOCC2)c1C#N ZINC000273400608 192139153 /nfs/dbraw/zinc/13/91/53/192139153.db2.gz WGAUTSCOBGRJPZ-UHFFFAOYSA-N 1 2 260.341 1.030 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1O ZINC000615431348 348507812 /nfs/dbraw/zinc/50/78/12/348507812.db2.gz MASIOAQOXCMZOU-UHFFFAOYSA-N 1 2 295.298 1.562 20 30 CDEDLO N#C[C@@]1(F)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000615592715 348604002 /nfs/dbraw/zinc/60/40/02/348604002.db2.gz WDFQFBSVAKRZAK-LBPRGKRZSA-N 1 2 250.277 1.127 20 30 CDEDLO N#C[C@@]1(F)CCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000615594839 348605168 /nfs/dbraw/zinc/60/51/68/348605168.db2.gz QXXXAVVNROYGGD-ZDUSSCGKSA-N 1 2 258.256 1.412 20 30 CDEDLO N#CC1CC[NH+](CC(=O)N2CCC(c3ccccc3)=N2)CC1 ZINC000057906831 348851536 /nfs/dbraw/zinc/85/15/36/348851536.db2.gz VZAJGMJKBAWNKU-UHFFFAOYSA-N 1 2 296.374 1.859 20 30 CDEDLO CNC(=O)C[NH+]1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000068660431 349073562 /nfs/dbraw/zinc/07/35/62/349073562.db2.gz PPQJHRHTROYFIE-UHFFFAOYSA-N 1 2 292.770 1.080 20 30 CDEDLO CN(C)c1ccc(CNS(=O)(=O)CCCCC#N)c[nH+]1 ZINC000068877950 349082122 /nfs/dbraw/zinc/08/21/22/349082122.db2.gz HLFMLOPRADSZHL-UHFFFAOYSA-N 1 2 296.396 1.261 20 30 CDEDLO CC[C@@]1(O)CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000602983850 350173720 /nfs/dbraw/zinc/17/37/20/350173720.db2.gz VQWKZJKHTRKMIE-CQSZACIVSA-N 1 2 293.392 1.795 20 30 CDEDLO CC[C@@]1(O)CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000602983850 350173723 /nfs/dbraw/zinc/17/37/23/350173723.db2.gz VQWKZJKHTRKMIE-CQSZACIVSA-N 1 2 293.392 1.795 20 30 CDEDLO N#Cc1ccccc1Cn1cc(C[NH+]2CCSCC2)nn1 ZINC000603175224 350224503 /nfs/dbraw/zinc/22/45/03/350224503.db2.gz ZTNXUCDASYULDJ-UHFFFAOYSA-N 1 2 299.403 1.747 20 30 CDEDLO C[C@H]1C(=O)NCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000106358956 186109617 /nfs/dbraw/zinc/10/96/17/186109617.db2.gz DPXBBQYVGZSGKC-LBPRGKRZSA-N 1 2 273.336 1.147 20 30 CDEDLO C[C@H]1C(=O)NCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000106358956 186109618 /nfs/dbraw/zinc/10/96/18/186109618.db2.gz DPXBBQYVGZSGKC-LBPRGKRZSA-N 1 2 273.336 1.147 20 30 CDEDLO N#Cc1cc(Cl)ccc1CN1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000364360385 362982614 /nfs/dbraw/zinc/98/26/14/362982614.db2.gz VUKMNXOYFOBWFD-HNNXBMFYSA-N 1 2 291.782 1.728 20 30 CDEDLO N#Cc1cc(Cl)ccc1CN1CC[N@H+]2CCOC[C@@H]2C1 ZINC000364360385 362982616 /nfs/dbraw/zinc/98/26/16/362982616.db2.gz VUKMNXOYFOBWFD-HNNXBMFYSA-N 1 2 291.782 1.728 20 30 CDEDLO CC[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000111273665 186385550 /nfs/dbraw/zinc/38/55/50/186385550.db2.gz XCDKGKGHAAGVPX-WFASDCNBSA-N 1 2 287.363 1.996 20 30 CDEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000111273665 186385552 /nfs/dbraw/zinc/38/55/52/186385552.db2.gz XCDKGKGHAAGVPX-WFASDCNBSA-N 1 2 287.363 1.996 20 30 CDEDLO C[C@H](c1ccc(C#N)cc1)[N@H+](C)CCS(C)(=O)=O ZINC000122863227 187056640 /nfs/dbraw/zinc/05/66/40/187056640.db2.gz TYONMPHWWMUTGP-LLVKDONJSA-N 1 2 266.366 1.596 20 30 CDEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCS(C)(=O)=O ZINC000122863227 187056641 /nfs/dbraw/zinc/05/66/41/187056641.db2.gz TYONMPHWWMUTGP-LLVKDONJSA-N 1 2 266.366 1.596 20 30 CDEDLO C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)Cn1cc[nH+]c1 ZINC000153808827 188104827 /nfs/dbraw/zinc/10/48/27/188104827.db2.gz DXQDPUPXFZCZRN-JTQLQIEISA-N 1 2 257.297 1.149 20 30 CDEDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000153979360 188114940 /nfs/dbraw/zinc/11/49/40/188114940.db2.gz RIKSNEFFLFVWSX-NSHDSACASA-N 1 2 277.324 1.862 20 30 CDEDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000153979360 188114941 /nfs/dbraw/zinc/11/49/41/188114941.db2.gz RIKSNEFFLFVWSX-NSHDSACASA-N 1 2 277.324 1.862 20 30 CDEDLO Cc1ccc2[nH+]c(CNC(=O)[C@]3(C#N)C[C@H]3C)cn2c1 ZINC000336244484 363224207 /nfs/dbraw/zinc/22/42/07/363224207.db2.gz HNOAYECVSTZTJD-ABAIWWIYSA-N 1 2 268.320 1.809 20 30 CDEDLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cccc(C#N)c1F ZINC000342637353 356096547 /nfs/dbraw/zinc/09/65/47/356096547.db2.gz SIWALSRJFOOKQX-MLCYQJTMSA-N 1 2 268.357 1.896 20 30 CDEDLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000342637353 356096548 /nfs/dbraw/zinc/09/65/48/356096548.db2.gz SIWALSRJFOOKQX-MLCYQJTMSA-N 1 2 268.357 1.896 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCNC(=O)[C@]1(C)CCC ZINC000187342198 356156997 /nfs/dbraw/zinc/15/69/97/356156997.db2.gz XLEGDEOACBUGKB-INIZCTEOSA-N 1 2 293.411 1.178 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCNC(=O)[C@]1(C)CCC ZINC000187342198 356157000 /nfs/dbraw/zinc/15/70/00/356157000.db2.gz XLEGDEOACBUGKB-INIZCTEOSA-N 1 2 293.411 1.178 20 30 CDEDLO N#Cc1ccc(NC(=O)N2CCn3c[nH+]cc3C2)cc1F ZINC000336475303 356189338 /nfs/dbraw/zinc/18/93/38/356189338.db2.gz LXHBULYFGKLGAF-UHFFFAOYSA-N 1 2 285.282 1.942 20 30 CDEDLO CN(CC#N)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000069918732 356660319 /nfs/dbraw/zinc/66/03/19/356660319.db2.gz XCBIIZFZBMQYGT-QPJJXVBHSA-N 1 2 266.304 1.867 20 30 CDEDLO C[C@H](NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)c1ccccn1 ZINC000329725984 538626508 /nfs/dbraw/zinc/62/65/08/538626508.db2.gz CAHWZSKDVZMVIB-UBHSHLNASA-N 1 2 290.367 1.071 20 30 CDEDLO C[C@H](NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)c1ccccn1 ZINC000329725984 538626513 /nfs/dbraw/zinc/62/65/13/538626513.db2.gz CAHWZSKDVZMVIB-UBHSHLNASA-N 1 2 290.367 1.071 20 30 CDEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)NCC=C ZINC000298692753 356910578 /nfs/dbraw/zinc/91/05/78/356910578.db2.gz ZNEOOEQSMAMGAR-AWEZNQCLSA-N 1 2 256.349 1.813 20 30 CDEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)NCC=C ZINC000298692753 356910582 /nfs/dbraw/zinc/91/05/82/356910582.db2.gz ZNEOOEQSMAMGAR-AWEZNQCLSA-N 1 2 256.349 1.813 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)CSc2ccncc2)CC1 ZINC000299307404 357017909 /nfs/dbraw/zinc/01/79/09/357017909.db2.gz IJLUPCBIHBPIHP-UHFFFAOYSA-N 1 2 289.404 1.341 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@H+]1CCSC[C@H]1CO ZINC000334406447 357578365 /nfs/dbraw/zinc/57/83/65/357578365.db2.gz HWTAMIUBSKTLPA-CYBMUJFWSA-N 1 2 266.341 1.607 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCSC[C@H]1CO ZINC000334406447 357578372 /nfs/dbraw/zinc/57/83/72/357578372.db2.gz HWTAMIUBSKTLPA-CYBMUJFWSA-N 1 2 266.341 1.607 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCC[C@@]23CCOC3=O)c1 ZINC000186730169 357680204 /nfs/dbraw/zinc/68/02/04/357680204.db2.gz FOKMPNDVCJEUOW-HNNXBMFYSA-N 1 2 256.305 1.840 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@]23CCOC3=O)c1 ZINC000186730169 357680208 /nfs/dbraw/zinc/68/02/08/357680208.db2.gz FOKMPNDVCJEUOW-HNNXBMFYSA-N 1 2 256.305 1.840 20 30 CDEDLO COCC[N@H+](CCO)Cc1ccc(Cl)cc1C#N ZINC000186931468 357706626 /nfs/dbraw/zinc/70/66/26/357706626.db2.gz WKYNBTMVTAVCRQ-UHFFFAOYSA-N 1 2 268.744 1.652 20 30 CDEDLO COCC[N@@H+](CCO)Cc1ccc(Cl)cc1C#N ZINC000186931468 357706630 /nfs/dbraw/zinc/70/66/30/357706630.db2.gz WKYNBTMVTAVCRQ-UHFFFAOYSA-N 1 2 268.744 1.652 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnn(CC(F)F)c2)C1=O ZINC000294654287 199125285 /nfs/dbraw/zinc/12/52/85/199125285.db2.gz KZPRFTLUDJZPAK-LBPRGKRZSA-N 1 2 298.337 1.367 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnn(CC(F)F)c2)C1=O ZINC000294654287 199125287 /nfs/dbraw/zinc/12/52/87/199125287.db2.gz KZPRFTLUDJZPAK-LBPRGKRZSA-N 1 2 298.337 1.367 20 30 CDEDLO COc1ccccc1/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000493497362 366414914 /nfs/dbraw/zinc/41/49/14/366414914.db2.gz QQISYCIIKQLICA-YDZSZYSISA-N 1 2 287.363 1.668 20 30 CDEDLO C=CCN(Cc1ccccc1)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000636644506 358565249 /nfs/dbraw/zinc/56/52/49/358565249.db2.gz YAIZYVYPWFFDDM-INIZCTEOSA-N 1 2 288.391 1.922 20 30 CDEDLO C=CCN(Cc1ccccc1)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000636644506 358565251 /nfs/dbraw/zinc/56/52/51/358565251.db2.gz YAIZYVYPWFFDDM-INIZCTEOSA-N 1 2 288.391 1.922 20 30 CDEDLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000185107472 358772782 /nfs/dbraw/zinc/77/27/82/358772782.db2.gz ANKVYKZHHXYNDX-PRWKNARSSA-N 1 2 293.392 1.196 20 30 CDEDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000185107472 358772788 /nfs/dbraw/zinc/77/27/88/358772788.db2.gz ANKVYKZHHXYNDX-PRWKNARSSA-N 1 2 293.392 1.196 20 30 CDEDLO N#Cc1ccccc1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000020301885 358782047 /nfs/dbraw/zinc/78/20/47/358782047.db2.gz ZJLQKNZKEZBHDI-UHFFFAOYSA-N 1 2 290.348 1.123 20 30 CDEDLO COCC[N@H+](Cc1cc(C#N)ccc1F)[C@@H](C)C(N)=O ZINC000106314286 359145883 /nfs/dbraw/zinc/14/58/83/359145883.db2.gz MFMAUDLPCRACGM-JTQLQIEISA-N 1 2 279.315 1.020 20 30 CDEDLO COCC[N@@H+](Cc1cc(C#N)ccc1F)[C@@H](C)C(N)=O ZINC000106314286 359145886 /nfs/dbraw/zinc/14/58/86/359145886.db2.gz MFMAUDLPCRACGM-JTQLQIEISA-N 1 2 279.315 1.020 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC000267641123 359354507 /nfs/dbraw/zinc/35/45/07/359354507.db2.gz IUOYJRFZZVEQCH-WFASDCNBSA-N 1 2 298.358 1.163 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC000267641123 359354511 /nfs/dbraw/zinc/35/45/11/359354511.db2.gz IUOYJRFZZVEQCH-WFASDCNBSA-N 1 2 298.358 1.163 20 30 CDEDLO C=C(Cl)CNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000268088618 359355839 /nfs/dbraw/zinc/35/58/39/359355839.db2.gz XSTOVGZOVRZIFH-UHFFFAOYSA-N 1 2 267.716 1.506 20 30 CDEDLO C=CC[C@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000347325119 359322475 /nfs/dbraw/zinc/32/24/75/359322475.db2.gz VSNHRHNJWIJUIL-VXGBXAGGSA-N 1 2 278.356 1.107 20 30 CDEDLO CC#CCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000270596937 359401280 /nfs/dbraw/zinc/40/12/80/359401280.db2.gz DFFQNJFDPQTRRP-UHFFFAOYSA-N 1 2 272.348 1.272 20 30 CDEDLO C#CC[N@@H+](CC)C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000272230024 359449525 /nfs/dbraw/zinc/44/95/25/359449525.db2.gz IPPTWPXFMHIMSB-OAHLLOKOSA-N 1 2 295.404 1.253 20 30 CDEDLO C#CC[N@H+](CC)C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000272230024 359449526 /nfs/dbraw/zinc/44/95/26/359449526.db2.gz IPPTWPXFMHIMSB-OAHLLOKOSA-N 1 2 295.404 1.253 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+]Cc1c(F)cccc1F ZINC000272866638 359471249 /nfs/dbraw/zinc/47/12/49/359471249.db2.gz RPMKFOIRCUPSFT-UHFFFAOYSA-N 1 2 275.320 1.655 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1nnc(C(C)C)s1)C1CC1 ZINC000274236779 359495103 /nfs/dbraw/zinc/49/51/03/359495103.db2.gz XGOULUIJFSAEOD-UHFFFAOYSA-N 1 2 278.381 1.698 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1nnc(C(C)C)s1)C1CC1 ZINC000274236779 359495107 /nfs/dbraw/zinc/49/51/07/359495107.db2.gz XGOULUIJFSAEOD-UHFFFAOYSA-N 1 2 278.381 1.698 20 30 CDEDLO C=CCOc1ccc(C[NH+]2CC(O)(COC)C2)cc1OC ZINC000297328532 200149373 /nfs/dbraw/zinc/14/93/73/200149373.db2.gz DSJGWZOXNVFCBN-UHFFFAOYSA-N 1 2 293.363 1.453 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000130394441 360028181 /nfs/dbraw/zinc/02/81/81/360028181.db2.gz XJGJUIVGZZEQOA-GFCCVEGCSA-N 1 2 259.309 1.017 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000130394441 360028183 /nfs/dbraw/zinc/02/81/83/360028183.db2.gz XJGJUIVGZZEQOA-GFCCVEGCSA-N 1 2 259.309 1.017 20 30 CDEDLO C=CCOCC(=O)N1CC[NH2+][C@@H](c2ccccc2OC)C1 ZINC000337583005 360260954 /nfs/dbraw/zinc/26/09/54/360260954.db2.gz JRYGGQDCGLUYJY-CQSZACIVSA-N 1 2 290.363 1.371 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1nc(N)c2ccccc2[nH+]1 ZINC000515118099 360439352 /nfs/dbraw/zinc/43/93/52/360439352.db2.gz IASXPHZCJPIKJA-BXUZGUMPSA-N 1 2 284.363 1.857 20 30 CDEDLO C#CCOCCC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156615401 360632049 /nfs/dbraw/zinc/63/20/49/360632049.db2.gz ZNBYMESMAVMLKJ-UONOGXRCSA-N 1 2 275.352 1.333 20 30 CDEDLO CCC[N@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000148115122 360834149 /nfs/dbraw/zinc/83/41/49/360834149.db2.gz GNJOBUATVYKZDV-UHFFFAOYSA-N 1 2 296.392 1.036 20 30 CDEDLO CCC[N@@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000148115122 360834154 /nfs/dbraw/zinc/83/41/54/360834154.db2.gz GNJOBUATVYKZDV-UHFFFAOYSA-N 1 2 296.392 1.036 20 30 CDEDLO CC[C@H](C#N)NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000582190243 361064406 /nfs/dbraw/zinc/06/44/06/361064406.db2.gz OEWILNMBMMVGKO-RKDXNWHRSA-N 1 2 288.273 1.874 20 30 CDEDLO CC#CC[N@H+]1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000159004774 361507269 /nfs/dbraw/zinc/50/72/69/361507269.db2.gz OJFWQGBWWJWPSF-LBPRGKRZSA-N 1 2 261.321 1.576 20 30 CDEDLO CC#CC[N@@H+]1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000159004774 361507273 /nfs/dbraw/zinc/50/72/73/361507273.db2.gz OJFWQGBWWJWPSF-LBPRGKRZSA-N 1 2 261.321 1.576 20 30 CDEDLO C[C@H](Nc1snc(Cl)c1C#N)[C@@H]1C[N@H+](C)CCO1 ZINC000301744723 201172908 /nfs/dbraw/zinc/17/29/08/201172908.db2.gz GQWONENSKDPZDK-CBAPKCEASA-N 1 2 286.788 1.799 20 30 CDEDLO C[C@H](Nc1snc(Cl)c1C#N)[C@@H]1C[N@@H+](C)CCO1 ZINC000301744723 201172912 /nfs/dbraw/zinc/17/29/12/201172912.db2.gz GQWONENSKDPZDK-CBAPKCEASA-N 1 2 286.788 1.799 20 30 CDEDLO N#CCCCOc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000160492521 363939831 /nfs/dbraw/zinc/93/98/31/363939831.db2.gz VDIXKOJUGVXJSO-UHFFFAOYSA-N 1 2 273.336 1.301 20 30 CDEDLO N#CCCCOc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000160492521 363939837 /nfs/dbraw/zinc/93/98/37/363939837.db2.gz VDIXKOJUGVXJSO-UHFFFAOYSA-N 1 2 273.336 1.301 20 30 CDEDLO N#CC[N@@H+](C[C@H](O)COCc1ccco1)C1CCCC1 ZINC000304329517 370721625 /nfs/dbraw/zinc/72/16/25/370721625.db2.gz UXEZSMSATYQNFK-AWEZNQCLSA-N 1 2 278.352 1.925 20 30 CDEDLO N#CC[N@H+](C[C@H](O)COCc1ccco1)C1CCCC1 ZINC000304329517 370721628 /nfs/dbraw/zinc/72/16/28/370721628.db2.gz UXEZSMSATYQNFK-AWEZNQCLSA-N 1 2 278.352 1.925 20 30 CDEDLO CC[N@H+](CCC#N)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000497071419 366866636 /nfs/dbraw/zinc/86/66/36/366866636.db2.gz JXDYXFAUWCASQC-LBPRGKRZSA-N 1 2 285.388 1.450 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000497071419 366866639 /nfs/dbraw/zinc/86/66/39/366866639.db2.gz JXDYXFAUWCASQC-LBPRGKRZSA-N 1 2 285.388 1.450 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C(=O)N(C2CCCCC2)C1=O ZINC000491327549 364966027 /nfs/dbraw/zinc/96/60/27/364966027.db2.gz WJERUGRKHVGVOJ-LLVKDONJSA-N 1 2 291.351 1.021 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C(=O)N(C2CCCCC2)C1=O ZINC000491327549 364966032 /nfs/dbraw/zinc/96/60/32/364966032.db2.gz WJERUGRKHVGVOJ-LLVKDONJSA-N 1 2 291.351 1.021 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cccc3c2CCOC3)nn1 ZINC000641095456 365044616 /nfs/dbraw/zinc/04/46/16/365044616.db2.gz HUAGIFKBKQFOIS-UHFFFAOYSA-N 1 2 296.374 1.512 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2csc(COC)n2)nn1 ZINC000641093355 365038174 /nfs/dbraw/zinc/03/81/74/365038174.db2.gz FTRFIQSVOOFIRH-UHFFFAOYSA-N 1 2 291.380 1.042 20 30 CDEDLO C=CCC[C@H](O)Cn1cc(C[NH+]2CCSCC2)nn1 ZINC000641212709 365219538 /nfs/dbraw/zinc/21/95/38/365219538.db2.gz PHDCGQAVBZJSPQ-ZDUSSCGKSA-N 1 2 282.413 1.154 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000275816269 193137014 /nfs/dbraw/zinc/13/70/14/193137014.db2.gz YJKHNMQKZAPTBO-RYUDHWBXSA-N 1 2 279.388 1.279 20 30 CDEDLO C[C@@H]1CCC[C@H](CO)[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000270525141 366895322 /nfs/dbraw/zinc/89/53/22/366895322.db2.gz UKXCYRRJOKASCN-ZYHUDNBSSA-N 1 2 293.392 1.794 20 30 CDEDLO C[C@@H]1CCC[C@H](CO)[N@H+]1CC(=O)Nc1sccc1C#N ZINC000270525141 366895324 /nfs/dbraw/zinc/89/53/24/366895324.db2.gz UKXCYRRJOKASCN-ZYHUDNBSSA-N 1 2 293.392 1.794 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)CCc1nc2ccccc2c(=O)[nH]1 ZINC000505773006 366995624 /nfs/dbraw/zinc/99/56/24/366995624.db2.gz XDOVBDJMMGKZFT-LLVKDONJSA-N 1 2 270.336 1.969 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)CCc1nc2ccccc2c(=O)[nH]1 ZINC000505773006 366995626 /nfs/dbraw/zinc/99/56/26/366995626.db2.gz XDOVBDJMMGKZFT-LLVKDONJSA-N 1 2 270.336 1.969 20 30 CDEDLO C=CCCn1cc(C[N@@H+](C[C@H](C)O)C2CC2)nn1 ZINC000653904691 412769491 /nfs/dbraw/zinc/76/94/91/412769491.db2.gz ZWSLYJACOIQIKL-NSHDSACASA-N 1 2 250.346 1.199 20 30 CDEDLO C=CCCn1cc(C[N@H+](C[C@H](C)O)C2CC2)nn1 ZINC000653904691 412769494 /nfs/dbraw/zinc/76/94/94/412769494.db2.gz ZWSLYJACOIQIKL-NSHDSACASA-N 1 2 250.346 1.199 20 30 CDEDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1cccc(C#N)c1 ZINC000170716577 368671981 /nfs/dbraw/zinc/67/19/81/368671981.db2.gz AZENJFBWRFHXNX-UHFFFAOYSA-N 1 2 288.351 1.354 20 30 CDEDLO CC#CCCNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000361648335 368962159 /nfs/dbraw/zinc/96/21/59/368962159.db2.gz QEUYHRBEXUFZJF-LBPRGKRZSA-N 1 2 260.341 1.332 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)C[C@H](C)O1 ZINC000338366357 284123158 /nfs/dbraw/zinc/12/31/58/284123158.db2.gz IQUXYGBPHJODOW-ZOWXZIJZSA-N 1 2 288.347 1.882 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)C[C@H](C)O1 ZINC000338366357 284123159 /nfs/dbraw/zinc/12/31/59/284123159.db2.gz IQUXYGBPHJODOW-ZOWXZIJZSA-N 1 2 288.347 1.882 20 30 CDEDLO COCCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000053420069 369515605 /nfs/dbraw/zinc/51/56/05/369515605.db2.gz GXWXELUZQRBNBI-UHFFFAOYSA-N 1 2 259.353 1.322 20 30 CDEDLO COc1ccc(C[NH2+][C@@H](C)c2ncnn2C)cc1C#N ZINC000276407510 193318278 /nfs/dbraw/zinc/31/82/78/193318278.db2.gz AVQPLGMLHOEKQK-JTQLQIEISA-N 1 2 271.324 1.546 20 30 CDEDLO C=CCCS(=O)(=O)N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000369173543 369702504 /nfs/dbraw/zinc/70/25/04/369702504.db2.gz IMKGAYFJYXVLAN-LBPRGKRZSA-N 1 2 299.396 1.061 20 30 CDEDLO COCC[NH+]1CCN(c2snc(Cl)c2C#N)CC1 ZINC000266132458 370333748 /nfs/dbraw/zinc/33/37/48/370333748.db2.gz DHMWONBMQBHOLR-UHFFFAOYSA-N 1 2 286.788 1.437 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277355851 193629806 /nfs/dbraw/zinc/62/98/06/193629806.db2.gz WXKVAHWQMIWQSV-MPBGBICISA-N 1 2 292.404 1.910 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277355851 193629808 /nfs/dbraw/zinc/62/98/08/193629808.db2.gz WXKVAHWQMIWQSV-MPBGBICISA-N 1 2 292.404 1.910 20 30 CDEDLO CCC[N@H+](CC#Cc1ccc(F)cc1)CC(=O)NC ZINC000156280817 371057015 /nfs/dbraw/zinc/05/70/15/371057015.db2.gz SAGPEVWUBRZANP-UHFFFAOYSA-N 1 2 262.328 1.635 20 30 CDEDLO CCC[N@@H+](CC#Cc1ccc(F)cc1)CC(=O)NC ZINC000156280817 371057019 /nfs/dbraw/zinc/05/70/19/371057019.db2.gz SAGPEVWUBRZANP-UHFFFAOYSA-N 1 2 262.328 1.635 20 30 CDEDLO CC(C)C(=O)NCC[N@H+](C)C[C@@H](C#N)CCC#N ZINC000157421510 371178163 /nfs/dbraw/zinc/17/81/63/371178163.db2.gz UCFWYHNWMFESNJ-GFCCVEGCSA-N 1 2 250.346 1.134 20 30 CDEDLO CC(C)C(=O)NCC[N@@H+](C)C[C@@H](C#N)CCC#N ZINC000157421510 371178166 /nfs/dbraw/zinc/17/81/66/371178166.db2.gz UCFWYHNWMFESNJ-GFCCVEGCSA-N 1 2 250.346 1.134 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1nccn1C(F)F ZINC000568500808 371225147 /nfs/dbraw/zinc/22/51/47/371225147.db2.gz GQEIUPSRONPVCR-VIFPVBQESA-N 1 2 253.256 1.811 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc2[nH]ccc21 ZINC000574151550 371698842 /nfs/dbraw/zinc/69/88/42/371698842.db2.gz UKOFGXDEJOJEMI-LBPRGKRZSA-N 1 2 272.352 1.786 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc2[nH]ccc21 ZINC000574151550 371698851 /nfs/dbraw/zinc/69/88/51/371698851.db2.gz UKOFGXDEJOJEMI-LBPRGKRZSA-N 1 2 272.352 1.786 20 30 CDEDLO C=C[C@@](C)(CCOC)c1nc([C@H]2C[N@H+](C)CCN2C)no1 ZINC000350075957 372277371 /nfs/dbraw/zinc/27/73/71/372277371.db2.gz RPDCYDLGYPBRJH-DOMZBBRYSA-N 1 2 294.399 1.468 20 30 CDEDLO C=C[C@@](C)(CCOC)c1nc([C@H]2C[N@@H+](C)CCN2C)no1 ZINC000350075957 372277377 /nfs/dbraw/zinc/27/73/77/372277377.db2.gz RPDCYDLGYPBRJH-DOMZBBRYSA-N 1 2 294.399 1.468 20 30 CDEDLO CCOC(=O)C[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000050066784 372313580 /nfs/dbraw/zinc/31/35/80/372313580.db2.gz ILLPLCJYAHLOLU-UHFFFAOYSA-N 1 2 295.364 1.443 20 30 CDEDLO CCOC(=O)C[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000050066784 372313586 /nfs/dbraw/zinc/31/35/86/372313586.db2.gz ILLPLCJYAHLOLU-UHFFFAOYSA-N 1 2 295.364 1.443 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000172752697 372414311 /nfs/dbraw/zinc/41/43/11/372414311.db2.gz IALZNACHUUCLOF-UHFFFAOYSA-N 1 2 256.349 1.397 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccc(Cl)c(F)c1 ZINC000579013379 372550095 /nfs/dbraw/zinc/55/00/95/372550095.db2.gz ASJKXDZDLMJVRJ-CQSZACIVSA-N 1 2 297.761 1.982 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCN(C(C)=O)CC1(C)C ZINC000182201303 372597901 /nfs/dbraw/zinc/59/79/01/372597901.db2.gz JYWJEJBPMCLAND-UHFFFAOYSA-N 1 2 293.411 1.130 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCN(C(C)=O)CC1(C)C ZINC000182201303 372597908 /nfs/dbraw/zinc/59/79/08/372597908.db2.gz JYWJEJBPMCLAND-UHFFFAOYSA-N 1 2 293.411 1.130 20 30 CDEDLO C[C@@H](C#N)CNC(=O)NCCCNc1cccc[nH+]1 ZINC000182571945 372607162 /nfs/dbraw/zinc/60/71/62/372607162.db2.gz NEDIAVMYSYNRIW-NSHDSACASA-N 1 2 261.329 1.342 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CSCC(F)(F)F ZINC000579718555 372637040 /nfs/dbraw/zinc/63/70/40/372637040.db2.gz UYUSURYLCXWMSC-SECBINFHSA-N 1 2 283.319 1.242 20 30 CDEDLO Cc1cc(N2CC[C@H](c3nnc[nH]3)C2)c(C#N)c[nH+]1 ZINC000333392761 205282907 /nfs/dbraw/zinc/28/29/07/205282907.db2.gz DGJHUIQQGJEREY-JTQLQIEISA-N 1 2 254.297 1.374 20 30 CDEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192025555 373573406 /nfs/dbraw/zinc/57/34/06/373573406.db2.gz ZVFUZSUCKRCRJO-GHMZBOCLSA-N 1 2 298.383 1.951 20 30 CDEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192025555 373573412 /nfs/dbraw/zinc/57/34/12/373573412.db2.gz ZVFUZSUCKRCRJO-GHMZBOCLSA-N 1 2 298.383 1.951 20 30 CDEDLO Cc1cccn2cc(Cn3c(N)nc(C#N)c3C#N)[nH+]c12 ZINC000193057263 373668036 /nfs/dbraw/zinc/66/80/36/373668036.db2.gz NIWXTKCCWXTWJR-UHFFFAOYSA-N 1 2 277.291 1.213 20 30 CDEDLO CCC[C@H](NCc1c[nH+]c2ccc(C#N)cn12)C(=O)OC ZINC000354929121 373815653 /nfs/dbraw/zinc/81/56/53/373815653.db2.gz KWOJATMDRAUXJE-ZDUSSCGKSA-N 1 2 286.335 1.637 20 30 CDEDLO N#Cc1ccncc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000358474009 373958535 /nfs/dbraw/zinc/95/85/35/373958535.db2.gz USUHFUQWVJNYPX-UHFFFAOYSA-N 1 2 295.346 1.459 20 30 CDEDLO C[C@]1([NH2+]CCC(=O)Nc2ccc(C#N)cc2)CCOC1=O ZINC000289519502 197387443 /nfs/dbraw/zinc/38/74/43/197387443.db2.gz LGMWDVQUZZIDNV-HNNXBMFYSA-N 1 2 287.319 1.182 20 30 CDEDLO N#Cc1cccc(OCCC[N@@H+]2CCc3nn[nH]c3C2)c1 ZINC000351615186 374257759 /nfs/dbraw/zinc/25/77/59/374257759.db2.gz LAOIFDMRYFZVQZ-UHFFFAOYSA-N 1 2 283.335 1.504 20 30 CDEDLO N#Cc1cccc(OCCC[N@H+]2CCc3nn[nH]c3C2)c1 ZINC000351615186 374257766 /nfs/dbraw/zinc/25/77/66/374257766.db2.gz LAOIFDMRYFZVQZ-UHFFFAOYSA-N 1 2 283.335 1.504 20 30 CDEDLO N#Cc1ccccc1OC[C@@H](O)CN1CCn2c[nH+]cc2C1 ZINC000528506221 374448860 /nfs/dbraw/zinc/44/88/60/374448860.db2.gz GIYSLQSZQKWDRD-HNNXBMFYSA-N 1 2 298.346 1.010 20 30 CDEDLO COc1ccc(C[NH2+]Cc2ccc(C#N)o2)c(OC)n1 ZINC000289486320 197370941 /nfs/dbraw/zinc/37/09/41/197370941.db2.gz FUMBXUDQRPLKDI-UHFFFAOYSA-N 1 2 273.292 1.853 20 30 CDEDLO CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccn1 ZINC000125335215 374923215 /nfs/dbraw/zinc/92/32/15/374923215.db2.gz JARLNNZWMIYGRC-MRXNPFEDSA-N 1 2 286.379 1.712 20 30 CDEDLO CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccn1 ZINC000125335215 374923220 /nfs/dbraw/zinc/92/32/20/374923220.db2.gz JARLNNZWMIYGRC-MRXNPFEDSA-N 1 2 286.379 1.712 20 30 CDEDLO N#Cc1cccc(C[NH+]2CCN(c3ncccn3)CC2)c1F ZINC000332394922 375029793 /nfs/dbraw/zinc/02/97/93/375029793.db2.gz OGVWGRABRHWTIX-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO CC[N@H+](Cc1cc(C#N)ccc1F)[C@H]1CCNC1=O ZINC000282464290 375088463 /nfs/dbraw/zinc/08/84/63/375088463.db2.gz UEYOLOYVTBEJKW-ZDUSSCGKSA-N 1 2 261.300 1.408 20 30 CDEDLO CC[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1CCNC1=O ZINC000282464290 375088471 /nfs/dbraw/zinc/08/84/71/375088471.db2.gz UEYOLOYVTBEJKW-ZDUSSCGKSA-N 1 2 261.300 1.408 20 30 CDEDLO CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H](C)C#N ZINC000049000636 375873839 /nfs/dbraw/zinc/87/38/39/375873839.db2.gz LZGCBXBCTREUPF-SNVBAGLBSA-N 1 2 268.361 1.092 20 30 CDEDLO CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H](C)C#N ZINC000049000636 375873841 /nfs/dbraw/zinc/87/38/41/375873841.db2.gz LZGCBXBCTREUPF-SNVBAGLBSA-N 1 2 268.361 1.092 20 30 CDEDLO CC1(CNC(=O)NC[C@H]2CCCn3cc[nH+]c32)COC1 ZINC000328618836 375898507 /nfs/dbraw/zinc/89/85/07/375898507.db2.gz VLOWEOITCHEYEW-LLVKDONJSA-N 1 2 278.356 1.301 20 30 CDEDLO O=C(NCc1[nH]cc[nH+]1)c1coc(C2CCOCC2)n1 ZINC000328732253 375956457 /nfs/dbraw/zinc/95/64/57/375956457.db2.gz HAHUPNVHPRGWFH-UHFFFAOYSA-N 1 2 276.296 1.797 20 30 CDEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@H](C)CC(=O)N1 ZINC000328794586 375973826 /nfs/dbraw/zinc/97/38/26/375973826.db2.gz BMBXLHLEWXWIDC-AVGNSLFASA-N 1 2 296.415 1.334 20 30 CDEDLO CN(CCC#N)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000194136868 375915431 /nfs/dbraw/zinc/91/54/31/375915431.db2.gz GSMFJPSNRPHNLB-UHFFFAOYSA-N 1 2 254.293 1.858 20 30 CDEDLO CC(C)[C@H](NC(=O)[C@H]1COCCN1C)c1[nH]cc[nH+]1 ZINC000328766564 375950193 /nfs/dbraw/zinc/95/01/93/375950193.db2.gz POKTYEGVGRUFNJ-MNOVXSKESA-N 1 2 266.345 1.394 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H](C)O1 ZINC000247771695 377171479 /nfs/dbraw/zinc/17/14/79/377171479.db2.gz ZVDJNIIRZZYDHT-ZIAGYGMSSA-N 1 2 292.383 1.142 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H](C)O1 ZINC000247771695 377171487 /nfs/dbraw/zinc/17/14/87/377171487.db2.gz ZVDJNIIRZZYDHT-ZIAGYGMSSA-N 1 2 292.383 1.142 20 30 CDEDLO C#CCNC(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000074344742 377304931 /nfs/dbraw/zinc/30/49/31/377304931.db2.gz VQVMPQGMHISLFN-UHFFFAOYSA-N 1 2 259.353 1.835 20 30 CDEDLO C#CCNC(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000074344742 377304938 /nfs/dbraw/zinc/30/49/38/377304938.db2.gz VQVMPQGMHISLFN-UHFFFAOYSA-N 1 2 259.353 1.835 20 30 CDEDLO N#CC1(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CCC1 ZINC000571746257 377522871 /nfs/dbraw/zinc/52/28/71/377522871.db2.gz JPYYVKMPNIPGHD-CYBMUJFWSA-N 1 2 287.367 1.751 20 30 CDEDLO N#CCCC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000571884929 377579493 /nfs/dbraw/zinc/57/94/93/377579493.db2.gz ZWJUMLIENMSMGL-CQSZACIVSA-N 1 2 286.379 1.988 20 30 CDEDLO N#Cc1ccncc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000269959001 377824045 /nfs/dbraw/zinc/82/40/45/377824045.db2.gz LDRMUBDLNRPTQF-UHFFFAOYSA-N 1 2 295.346 1.797 20 30 CDEDLO CC#CC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000282940497 378078506 /nfs/dbraw/zinc/07/85/06/378078506.db2.gz SRZCRTCUBRVGQG-UHFFFAOYSA-N 1 2 282.347 1.002 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2c(C)coc2C)CC1 ZINC000284048966 378132978 /nfs/dbraw/zinc/13/29/78/378132978.db2.gz UFYRCJOYFWIOPA-UHFFFAOYSA-N 1 2 260.337 1.678 20 30 CDEDLO C=CCCCS(=O)(=O)NCc1c[nH+]ccc1OC ZINC000292899937 378524295 /nfs/dbraw/zinc/52/42/95/378524295.db2.gz FDWYIVUOXQOBKF-UHFFFAOYSA-N 1 2 270.354 1.476 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1nc(CC)c(C)s1 ZINC000293026059 378545594 /nfs/dbraw/zinc/54/55/94/378545594.db2.gz FWKSVPNKMLXEGY-UHFFFAOYSA-N 1 2 265.382 1.908 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1nc(CC)c(C)s1 ZINC000293026059 378545600 /nfs/dbraw/zinc/54/56/00/378545600.db2.gz FWKSVPNKMLXEGY-UHFFFAOYSA-N 1 2 265.382 1.908 20 30 CDEDLO C=CCOCC[N@@H+](C)CC(=O)Nc1cc(C)on1 ZINC000293427647 378566047 /nfs/dbraw/zinc/56/60/47/378566047.db2.gz JBKUEHMILYYNIR-UHFFFAOYSA-N 1 2 253.302 1.056 20 30 CDEDLO C=CCOCC[N@H+](C)CC(=O)Nc1cc(C)on1 ZINC000293427647 378566051 /nfs/dbraw/zinc/56/60/51/378566051.db2.gz JBKUEHMILYYNIR-UHFFFAOYSA-N 1 2 253.302 1.056 20 30 CDEDLO C#C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000185295072 378646444 /nfs/dbraw/zinc/64/64/44/378646444.db2.gz CAYALAWIRYPNAR-DZGCQCFKSA-N 1 2 288.416 1.914 20 30 CDEDLO Cc1cccc(NCCNC(=O)c2ccc(C#N)c(O)c2)[nH+]1 ZINC000442651233 249927382 /nfs/dbraw/zinc/92/73/82/249927382.db2.gz QWQMTZMTAUIXOY-UHFFFAOYSA-N 1 2 296.330 1.809 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000662160910 412910277 /nfs/dbraw/zinc/91/02/77/412910277.db2.gz JMSCAYSIMSSNID-TVQRCGJNSA-N 1 2 284.306 1.279 20 30 CDEDLO N#Cc1cccc(-c2cc(C(=O)NCc3c[nH+]c[nH]3)on2)c1 ZINC000447513208 250379135 /nfs/dbraw/zinc/37/91/35/250379135.db2.gz UGDNDRNUJZFWDF-UHFFFAOYSA-N 1 2 293.286 1.866 20 30 CDEDLO N#Cc1cccc(-c2cc(C(=O)NCc3c[nH]c[nH+]3)on2)c1 ZINC000447513208 250379139 /nfs/dbraw/zinc/37/91/39/250379139.db2.gz UGDNDRNUJZFWDF-UHFFFAOYSA-N 1 2 293.286 1.866 20 30 CDEDLO CN(C)[C@@H](C(=O)NCC#Cc1ccccc1)c1c[nH+]cn1C ZINC000280854623 195003217 /nfs/dbraw/zinc/00/32/17/195003217.db2.gz WNBIRWOALAIBMG-MRXNPFEDSA-N 1 2 296.374 1.191 20 30 CDEDLO N#Cc1ccc(/C=C/C(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000491866364 253107472 /nfs/dbraw/zinc/10/74/72/253107472.db2.gz IFRDOZVENMOFTI-AATRIKPKSA-N 1 2 278.315 1.851 20 30 CDEDLO C[C@@H]1CCN(C(=O)c2cc(C#N)ccn2)C[C@@H]1n1cc[nH+]c1 ZINC000288256578 197037636 /nfs/dbraw/zinc/03/76/36/197037636.db2.gz FPYQIZAWZJIKQA-DOMZBBRYSA-N 1 2 295.346 1.873 20 30 CDEDLO C#C[C@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C(C)C ZINC000281220521 195154605 /nfs/dbraw/zinc/15/46/05/195154605.db2.gz DITGOIQTQZZRCH-KBPBESRZSA-N 1 2 286.379 1.617 20 30 CDEDLO C=CCN1CC[C@H]([NH2+][C@@H](COC)c2ccco2)C1=O ZINC000281354424 195208169 /nfs/dbraw/zinc/20/81/69/195208169.db2.gz NJAFPDHHHOJBRG-RYUDHWBXSA-N 1 2 264.325 1.344 20 30 CDEDLO CO[C@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C[C@H]1C ZINC000451556029 390632552 /nfs/dbraw/zinc/63/25/52/390632552.db2.gz CMJKOTXNPPHKDT-PWSUYJOCSA-N 1 2 293.392 1.915 20 30 CDEDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C[C@H]1C ZINC000451556029 390632554 /nfs/dbraw/zinc/63/25/54/390632554.db2.gz CMJKOTXNPPHKDT-PWSUYJOCSA-N 1 2 293.392 1.915 20 30 CDEDLO C=C(CC)C[N@@H+]1CCC[C@@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000358615498 390800296 /nfs/dbraw/zinc/80/02/96/390800296.db2.gz DKOBTTSRHQGKLA-VXGBXAGGSA-N 1 2 269.341 1.379 20 30 CDEDLO C=C(CC)C[N@H+]1CCC[C@@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000358615498 390800298 /nfs/dbraw/zinc/80/02/98/390800298.db2.gz DKOBTTSRHQGKLA-VXGBXAGGSA-N 1 2 269.341 1.379 20 30 CDEDLO C[C@@H]1CCN(C(=O)CSCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000125151322 390917403 /nfs/dbraw/zinc/91/74/03/390917403.db2.gz KLAHGAXPZUBMFX-NEPJUHHUSA-N 1 2 278.381 1.549 20 30 CDEDLO C=CCNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000151147488 390918132 /nfs/dbraw/zinc/91/81/32/390918132.db2.gz GACIOQWTHHNALO-GFCCVEGCSA-N 1 2 262.357 1.570 20 30 CDEDLO Cn1cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(C2CC2)n1 ZINC000329600211 391027444 /nfs/dbraw/zinc/02/74/44/391027444.db2.gz KARQVIWPLIGGNV-LLVKDONJSA-N 1 2 285.351 1.814 20 30 CDEDLO Cc1[nH]c(C(=O)NCc2nnc(C3CC3)n2C)c[nH+]1 ZINC000329476785 390995181 /nfs/dbraw/zinc/99/51/81/390995181.db2.gz POCLJWUFVSRLFE-UHFFFAOYSA-N 1 2 260.301 1.229 20 30 CDEDLO COCC1([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000329535866 391007267 /nfs/dbraw/zinc/00/72/67/391007267.db2.gz LQEXLYFZLMLDCB-LLVKDONJSA-N 1 2 278.356 1.271 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000352434680 391136106 /nfs/dbraw/zinc/13/61/06/391136106.db2.gz ZLEAJMVBTZAHIP-OCCSQVGLSA-N 1 2 254.374 1.426 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000352434680 391136110 /nfs/dbraw/zinc/13/61/10/391136110.db2.gz ZLEAJMVBTZAHIP-OCCSQVGLSA-N 1 2 254.374 1.426 20 30 CDEDLO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCC(F)(C#N)CC1 ZINC000352490455 391156296 /nfs/dbraw/zinc/15/62/96/391156296.db2.gz IQBFLBJUOZWDPK-LBPRGKRZSA-N 1 2 267.348 1.715 20 30 CDEDLO Cn1ncnc1CO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000177673388 391174059 /nfs/dbraw/zinc/17/40/59/391174059.db2.gz ATEYWMNEQJIIHK-UHFFFAOYSA-N 1 2 279.731 1.500 20 30 CDEDLO C=CCOCC[N@H+]1Cc2ccccc2C[C@@H]1C(N)=O ZINC000338905675 391232819 /nfs/dbraw/zinc/23/28/19/391232819.db2.gz FLOSJKRULCKJON-CQSZACIVSA-N 1 2 260.337 1.101 20 30 CDEDLO C=CCOCC[N@@H+]1Cc2ccccc2C[C@@H]1C(N)=O ZINC000338905675 391232821 /nfs/dbraw/zinc/23/28/21/391232821.db2.gz FLOSJKRULCKJON-CQSZACIVSA-N 1 2 260.337 1.101 20 30 CDEDLO Cc1ncc(CO)c(/C=[NH+]/C[C@@H]2CCO[C@H](C)C2)c1O ZINC000271447469 391295083 /nfs/dbraw/zinc/29/50/83/391295083.db2.gz UDVUZXOUXHKKIK-ZPOSGWBCSA-N 1 2 278.352 1.822 20 30 CDEDLO N#C[C@@H]1CSCCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000271686789 391299646 /nfs/dbraw/zinc/29/96/46/391299646.db2.gz DDWZYDGGYWIEPT-LLVKDONJSA-N 1 2 272.333 1.415 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000339461062 391304692 /nfs/dbraw/zinc/30/46/92/391304692.db2.gz ACECMUPQXKYCKK-QWHCGFSZSA-N 1 2 277.368 1.717 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCC(C)(C)CCC#N ZINC000352903880 391309882 /nfs/dbraw/zinc/30/98/82/391309882.db2.gz WNAWEBMKTWVQKZ-ZDUSSCGKSA-N 1 2 296.415 1.336 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)NCC(C)(C)CCC#N ZINC000352903880 391309887 /nfs/dbraw/zinc/30/98/87/391309887.db2.gz WNAWEBMKTWVQKZ-ZDUSSCGKSA-N 1 2 296.415 1.336 20 30 CDEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)[C@H](C)C#N ZINC000416469364 391311087 /nfs/dbraw/zinc/31/10/87/391311087.db2.gz JJDYXOVOBOSETD-GFCCVEGCSA-N 1 2 298.412 1.399 20 30 CDEDLO CC#CCCNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000354112956 391407835 /nfs/dbraw/zinc/40/78/35/391407835.db2.gz OQADWARWDLMJHJ-UHFFFAOYSA-N 1 2 255.321 1.874 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000346246678 391345010 /nfs/dbraw/zinc/34/50/10/391345010.db2.gz DSNYSTKYFGRTJU-VXGBXAGGSA-N 1 2 262.357 1.419 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000346246678 391345013 /nfs/dbraw/zinc/34/50/13/391345013.db2.gz DSNYSTKYFGRTJU-VXGBXAGGSA-N 1 2 262.357 1.419 20 30 CDEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000339754213 391348784 /nfs/dbraw/zinc/34/87/84/391348784.db2.gz NNFNSTWWNLIJAU-GFCCVEGCSA-N 1 2 290.363 1.986 20 30 CDEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000339754213 391348786 /nfs/dbraw/zinc/34/87/86/391348786.db2.gz NNFNSTWWNLIJAU-GFCCVEGCSA-N 1 2 290.363 1.986 20 30 CDEDLO C#CCOc1ccccc1C[NH2+]Cc1nnc2n1CCC2 ZINC000030652810 391353844 /nfs/dbraw/zinc/35/38/44/391353844.db2.gz ZDNVFVKTRPGITR-UHFFFAOYSA-N 1 2 282.347 1.526 20 30 CDEDLO COc1ccc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cn1 ZINC000330613656 391448011 /nfs/dbraw/zinc/44/80/11/391448011.db2.gz AGTVUYFCHDQJTQ-NSHDSACASA-N 1 2 279.340 1.116 20 30 CDEDLO COc1ccc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cn1 ZINC000330613656 391448013 /nfs/dbraw/zinc/44/80/13/391448013.db2.gz AGTVUYFCHDQJTQ-NSHDSACASA-N 1 2 279.340 1.116 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000348658094 391449479 /nfs/dbraw/zinc/44/94/79/391449479.db2.gz VNKWKVCNSPQCDY-INIZCTEOSA-N 1 2 286.379 1.666 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)C[C@H](C)C#N ZINC000330618576 391460021 /nfs/dbraw/zinc/46/00/21/391460021.db2.gz XUYIIHJBIFLTGF-CHWSQXEVSA-N 1 2 276.384 1.809 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C[C@H](C)C#N ZINC000330618576 391460022 /nfs/dbraw/zinc/46/00/22/391460022.db2.gz XUYIIHJBIFLTGF-CHWSQXEVSA-N 1 2 276.384 1.809 20 30 CDEDLO Cc1ccoc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330623730 391461654 /nfs/dbraw/zinc/46/16/54/391461654.db2.gz QCMJTXCUTREWOE-NSHDSACASA-N 1 2 252.314 1.613 20 30 CDEDLO Cc1ccoc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330623730 391461655 /nfs/dbraw/zinc/46/16/55/391461655.db2.gz QCMJTXCUTREWOE-NSHDSACASA-N 1 2 252.314 1.613 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354395915 391417875 /nfs/dbraw/zinc/41/78/75/391417875.db2.gz LIRUPXGHSGNKRW-CYBMUJFWSA-N 1 2 292.383 1.035 20 30 CDEDLO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000347461664 533651383 /nfs/dbraw/zinc/65/13/83/533651383.db2.gz YDZDNCXBFMGOFW-OAHLLOKOSA-N 1 2 288.347 1.517 20 30 CDEDLO COC(=O)C[C@@H]1COCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000347461664 533651392 /nfs/dbraw/zinc/65/13/92/533651392.db2.gz YDZDNCXBFMGOFW-OAHLLOKOSA-N 1 2 288.347 1.517 20 30 CDEDLO CCN(CC#N)C(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000335853743 391596464 /nfs/dbraw/zinc/59/64/64/391596464.db2.gz FFZBSLBDMAQYFF-UHFFFAOYSA-N 1 2 256.309 1.867 20 30 CDEDLO C=CCOc1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1OC ZINC000359692539 391612986 /nfs/dbraw/zinc/61/29/86/391612986.db2.gz LHQWJYCFUMTRFK-UHFFFAOYSA-N 1 2 287.319 1.913 20 30 CDEDLO C=CCOc1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1OC ZINC000359692539 391612989 /nfs/dbraw/zinc/61/29/89/391612989.db2.gz LHQWJYCFUMTRFK-UHFFFAOYSA-N 1 2 287.319 1.913 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000192229432 391715294 /nfs/dbraw/zinc/71/52/94/391715294.db2.gz CXIAUHWEWRATSL-ZDUSSCGKSA-N 1 2 256.349 1.919 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000192229432 391715296 /nfs/dbraw/zinc/71/52/96/391715296.db2.gz CXIAUHWEWRATSL-ZDUSSCGKSA-N 1 2 256.349 1.919 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCc3c(F)cccc3C2)C1=O ZINC000282070469 391670138 /nfs/dbraw/zinc/67/01/38/391670138.db2.gz SVGAGHSGDAECPI-HNNXBMFYSA-N 1 2 274.339 1.971 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCc3c(F)cccc3C2)C1=O ZINC000282070469 391670140 /nfs/dbraw/zinc/67/01/40/391670140.db2.gz SVGAGHSGDAECPI-HNNXBMFYSA-N 1 2 274.339 1.971 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H]1CCC(C)(C)C1)C(=O)OC ZINC000361113253 391683793 /nfs/dbraw/zinc/68/37/93/391683793.db2.gz LHAIGJNQMGFVAN-RYUDHWBXSA-N 1 2 255.358 1.899 20 30 CDEDLO Cc1nc(C2CC2)ccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000519761287 391701928 /nfs/dbraw/zinc/70/19/28/391701928.db2.gz SRPCECLMININMT-INIZCTEOSA-N 1 2 286.379 1.841 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000135590774 391731870 /nfs/dbraw/zinc/73/18/70/391731870.db2.gz HSNBGEUXVDCEIR-AWEZNQCLSA-N 1 2 267.373 1.249 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@@](C)(CC)C1 ZINC000135590774 391731874 /nfs/dbraw/zinc/73/18/74/391731874.db2.gz HSNBGEUXVDCEIR-AWEZNQCLSA-N 1 2 267.373 1.249 20 30 CDEDLO CN(C[C@@H]1CCC[C@@H]1O)C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329747528 391769911 /nfs/dbraw/zinc/76/99/11/391769911.db2.gz SMJLSUZWDYHARU-WDMOLILDSA-N 1 2 292.383 1.274 20 30 CDEDLO CN(C[C@@H]1CCC[C@@H]1O)C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329747528 391769913 /nfs/dbraw/zinc/76/99/13/391769913.db2.gz SMJLSUZWDYHARU-WDMOLILDSA-N 1 2 292.383 1.274 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000192234049 130398966 /nfs/dbraw/zinc/39/89/66/130398966.db2.gz WLJOUIJQEVTCFN-UHFFFAOYSA-N 1 2 273.292 1.049 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000192234049 130398970 /nfs/dbraw/zinc/39/89/70/130398970.db2.gz WLJOUIJQEVTCFN-UHFFFAOYSA-N 1 2 273.292 1.049 20 30 CDEDLO CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000335965689 391840561 /nfs/dbraw/zinc/84/05/61/391840561.db2.gz BBPLZPNDFMQRKS-PWSUYJOCSA-N 1 2 260.341 1.500 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000336101734 391852735 /nfs/dbraw/zinc/85/27/35/391852735.db2.gz JGRFYBDKDRVPRR-STQMWFEESA-N 1 2 252.358 1.274 20 30 CDEDLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000646032720 391920459 /nfs/dbraw/zinc/92/04/59/391920459.db2.gz ZBBFHADYCVTXDX-BDJLRTHQSA-N 1 2 298.346 1.485 20 30 CDEDLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000646032720 391920463 /nfs/dbraw/zinc/92/04/63/391920463.db2.gz ZBBFHADYCVTXDX-BDJLRTHQSA-N 1 2 298.346 1.485 20 30 CDEDLO CC#CC[C@@H](CO)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000646276812 392230898 /nfs/dbraw/zinc/23/08/98/392230898.db2.gz TZMSGDLWLJWMAA-LBPRGKRZSA-N 1 2 272.308 1.230 20 30 CDEDLO COC(=O)C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000268729331 132057349 /nfs/dbraw/zinc/05/73/49/132057349.db2.gz XBXCQVZMQXMRAH-AWEZNQCLSA-N 1 2 274.320 1.229 20 30 CDEDLO COC(=O)C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000268729331 132057351 /nfs/dbraw/zinc/05/73/51/132057351.db2.gz XBXCQVZMQXMRAH-AWEZNQCLSA-N 1 2 274.320 1.229 20 30 CDEDLO CCO[C@@H]1C[C@@H](Nc2cc(C)[nH+]cc2C#N)[C@@H]1OC ZINC000425237709 393000817 /nfs/dbraw/zinc/00/08/17/393000817.db2.gz HMRKPKJEYOZSKL-MCIONIFRSA-N 1 2 261.325 1.288 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000649206884 393032970 /nfs/dbraw/zinc/03/29/70/393032970.db2.gz JEECBILTXLIIHB-MRXNPFEDSA-N 1 2 287.363 1.629 20 30 CDEDLO CC1(C)C[N@H+](CCNC(=O)c2ccc(C#N)cc2)CCO1 ZINC000194903630 140150285 /nfs/dbraw/zinc/15/02/85/140150285.db2.gz GMUVKSYIBHASPA-UHFFFAOYSA-N 1 2 287.363 1.399 20 30 CDEDLO CC1(C)C[N@@H+](CCNC(=O)c2ccc(C#N)cc2)CCO1 ZINC000194903630 140150286 /nfs/dbraw/zinc/15/02/86/140150286.db2.gz GMUVKSYIBHASPA-UHFFFAOYSA-N 1 2 287.363 1.399 20 30 CDEDLO N#CCCCNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000345819721 397643577 /nfs/dbraw/zinc/64/35/77/397643577.db2.gz SMTTYFLZYMSARX-UHFFFAOYSA-N 1 2 261.329 1.533 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1c(F)cc(C#N)cc1F ZINC000312564137 149234356 /nfs/dbraw/zinc/23/43/56/149234356.db2.gz NKQUJMAMCXGBBG-UHFFFAOYSA-N 1 2 276.246 1.832 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@H+]1CCSC[C@@H]1CO ZINC000335939296 151132709 /nfs/dbraw/zinc/13/27/09/151132709.db2.gz TYISQTCYYHLTAT-ZDUSSCGKSA-N 1 2 266.341 1.607 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCSC[C@@H]1CO ZINC000335939296 151132711 /nfs/dbraw/zinc/13/27/11/151132711.db2.gz TYISQTCYYHLTAT-ZDUSSCGKSA-N 1 2 266.341 1.607 20 30 CDEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1sccc1C#N ZINC000335947291 151140402 /nfs/dbraw/zinc/14/04/02/151140402.db2.gz SAZYXERGWGDUHI-NXEZZACHSA-N 1 2 263.366 1.784 20 30 CDEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1sccc1C#N ZINC000335947291 151140404 /nfs/dbraw/zinc/14/04/04/151140404.db2.gz SAZYXERGWGDUHI-NXEZZACHSA-N 1 2 263.366 1.784 20 30 CDEDLO Cc1nsc(N(C)CC[NH+]2C[C@H](C)O[C@@H](C)C2)c1C#N ZINC000343094264 152029249 /nfs/dbraw/zinc/02/92/49/152029249.db2.gz JHRKNDFEAJEOTK-QWRGUYRKSA-N 1 2 294.424 1.869 20 30 CDEDLO CCc1nn(Cc2c[nH+]ccc2OC)c(=O)c(C#N)c1CC ZINC000343838879 152320470 /nfs/dbraw/zinc/32/04/70/152320470.db2.gz ZFDXFWKZYMIORT-UHFFFAOYSA-N 1 2 298.346 1.692 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1cccc(C#N)c1 ZINC000355499964 157084067 /nfs/dbraw/zinc/08/40/67/157084067.db2.gz PHTROFOYURLKOC-LBPRGKRZSA-N 1 2 288.351 1.400 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1cccc(C#N)c1 ZINC000355499964 157084070 /nfs/dbraw/zinc/08/40/70/157084070.db2.gz PHTROFOYURLKOC-LBPRGKRZSA-N 1 2 288.351 1.400 20 30 CDEDLO COc1cc(C[N@@H+]2C[C@H](CO)OC(C)(C)C2)ccc1C#N ZINC000235012148 165046354 /nfs/dbraw/zinc/04/63/54/165046354.db2.gz QDICZBRQRRFMHN-CQSZACIVSA-N 1 2 290.363 1.539 20 30 CDEDLO COc1cc(C[N@H+]2C[C@H](CO)OC(C)(C)C2)ccc1C#N ZINC000235012148 165046358 /nfs/dbraw/zinc/04/63/58/165046358.db2.gz QDICZBRQRRFMHN-CQSZACIVSA-N 1 2 290.363 1.539 20 30 CDEDLO N#Cc1ccc(NCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000035121278 171991415 /nfs/dbraw/zinc/99/14/15/171991415.db2.gz YKVXUHPJLKOVEE-UHFFFAOYSA-N 1 2 276.296 1.211 20 30 CDEDLO C=CC[C@H]1CCCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000660344921 413551651 /nfs/dbraw/zinc/55/16/51/413551651.db2.gz KQYREAVCNYGLGC-GJZGRUSLSA-N 1 2 295.427 1.705 20 30 CDEDLO C=C(C)CCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661262367 413930935 /nfs/dbraw/zinc/93/09/35/413930935.db2.gz AFTJNWAGTUXPLS-ZDUSSCGKSA-N 1 2 267.373 1.069 20 30 CDEDLO C=CCCn1cc(C[NH2+]C[C@]2(N(C)C)CCSC2)nn1 ZINC000657387854 414269022 /nfs/dbraw/zinc/26/90/22/414269022.db2.gz WHUKCRYJPXEUQX-CQSZACIVSA-N 1 2 295.456 1.381 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2cccc(N(C)C)n2)nn1 ZINC000657417666 414303679 /nfs/dbraw/zinc/30/36/79/414303679.db2.gz SQCAQEAZOUCQLR-UHFFFAOYSA-N 1 2 286.383 1.605 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2cc(Cl)nc(Cl)c2)CC1 ZINC000038105785 174120840 /nfs/dbraw/zinc/12/08/40/174120840.db2.gz DPORFFDTDWPWGY-UHFFFAOYSA-N 1 2 298.173 1.779 20 30 CDEDLO N#Cc1cccc(NC(=O)NCCCn2cc[nH+]c2)c1 ZINC000043330061 175010158 /nfs/dbraw/zinc/01/01/58/175010158.db2.gz XOAKHYAKKFAAPH-UHFFFAOYSA-N 1 2 269.308 1.967 20 30 CDEDLO C#CCNC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000078368475 177335847 /nfs/dbraw/zinc/33/58/47/177335847.db2.gz XHPQFQRYAPJOKR-UHFFFAOYSA-N 1 2 256.309 1.277 20 30 CDEDLO CC[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000078657094 177367283 /nfs/dbraw/zinc/36/72/83/177367283.db2.gz GPDSHQXUDOQMSF-ZDUSSCGKSA-N 1 2 296.367 1.706 20 30 CDEDLO CC[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000078657094 177367285 /nfs/dbraw/zinc/36/72/85/177367285.db2.gz GPDSHQXUDOQMSF-ZDUSSCGKSA-N 1 2 296.367 1.706 20 30 CDEDLO Cc1nnc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)n1C1CC1 ZINC000329141471 227323528 /nfs/dbraw/zinc/32/35/28/227323528.db2.gz KITXAMDWGZXOTA-SNVBAGLBSA-N 1 2 286.339 1.969 20 30 CDEDLO O=C(NCc1ccn2cc[nH+]c2c1)N1CC[C@@H](CCO)C1 ZINC000330028820 228021058 /nfs/dbraw/zinc/02/10/58/228021058.db2.gz PFRRJTJYUPYFJK-LBPRGKRZSA-N 1 2 288.351 1.453 20 30 CDEDLO CO[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330169180 228054697 /nfs/dbraw/zinc/05/46/97/228054697.db2.gz BHOFNAOVYUOCSF-NWDGAFQWSA-N 1 2 278.356 1.223 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@](C)(F)C1)C1CC1 ZINC000331774674 228127491 /nfs/dbraw/zinc/12/74/91/228127491.db2.gz BRDCTERDMSUOJH-KBPBESRZSA-N 1 2 267.348 1.619 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@](C)(F)C1)C1CC1 ZINC000331774674 228127493 /nfs/dbraw/zinc/12/74/93/228127493.db2.gz BRDCTERDMSUOJH-KBPBESRZSA-N 1 2 267.348 1.619 20 30 CDEDLO Cc1cnc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(O)c1 ZINC000330337326 228156013 /nfs/dbraw/zinc/15/60/13/228156013.db2.gz ZWGDQVVHSUKIIG-SNVBAGLBSA-N 1 2 272.308 1.612 20 30 CDEDLO Cc1cnc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)o1 ZINC000158193195 261160696 /nfs/dbraw/zinc/16/06/96/261160696.db2.gz MLYJPSJQADZDFT-UHFFFAOYSA-N 1 2 273.292 1.755 20 30 CDEDLO CC(C)(C)OC(=O)N1CC[C@](C)(C=[NH+]n2ccnn2)C1 ZINC000497316340 262142318 /nfs/dbraw/zinc/14/23/18/262142318.db2.gz ULDITSQILKRSSC-CYBMUJFWSA-N 1 2 279.344 1.759 20 30 CDEDLO Cc1cccn2cc(CNC(=O)C(C)(C)C#N)[nH+]c12 ZINC000264710117 262892680 /nfs/dbraw/zinc/89/26/80/262892680.db2.gz FASCLKHIAOKIMB-UHFFFAOYSA-N 1 2 256.309 1.809 20 30 CDEDLO COC(=O)c1ccccc1OCC[N@H+](C)C[C@H](C)C#N ZINC000272782473 263008674 /nfs/dbraw/zinc/00/86/74/263008674.db2.gz HVRWQSBJOSQXIZ-GFCCVEGCSA-N 1 2 276.336 1.943 20 30 CDEDLO COC(=O)c1ccccc1OCC[N@@H+](C)C[C@H](C)C#N ZINC000272782473 263008675 /nfs/dbraw/zinc/00/86/75/263008675.db2.gz HVRWQSBJOSQXIZ-GFCCVEGCSA-N 1 2 276.336 1.943 20 30 CDEDLO COCC[C@@H](C)O[NH+]=C(N)COc1cccc(F)c1 ZINC000275472289 263033416 /nfs/dbraw/zinc/03/34/16/263033416.db2.gz LPMILXHAHCALSC-SNVBAGLBSA-N 1 2 270.304 1.918 20 30 CDEDLO CC(C)(C#N)CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000279292183 263054268 /nfs/dbraw/zinc/05/42/68/263054268.db2.gz PMSLUDZCBASEPU-UHFFFAOYSA-N 1 2 256.309 1.890 20 30 CDEDLO CC1(C#N)CN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000280616044 263063422 /nfs/dbraw/zinc/06/34/22/263063422.db2.gz ZWJROLOSGOGYSW-UHFFFAOYSA-N 1 2 254.293 1.249 20 30 CDEDLO C#CCN(CC#N)CCc1[nH+]c2ccccc2n1C ZINC000281342587 263068262 /nfs/dbraw/zinc/06/82/62/263068262.db2.gz KXSLPYLHQORKOT-UHFFFAOYSA-N 1 2 252.321 1.575 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(CC#N)cc1 ZINC000340091882 263068609 /nfs/dbraw/zinc/06/86/09/263068609.db2.gz QAZRZIULGAOAQV-LBPRGKRZSA-N 1 2 268.320 1.768 20 30 CDEDLO COc1cc(C#N)ccc1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000283989100 263085168 /nfs/dbraw/zinc/08/51/68/263085168.db2.gz GYNLKPZNOBDGGA-LBPRGKRZSA-N 1 2 275.308 1.535 20 30 CDEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000292252678 263130131 /nfs/dbraw/zinc/13/01/31/263130131.db2.gz QYBHFZVMAHYLGO-OAHLLOKOSA-N 1 2 285.347 1.700 20 30 CDEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000292252678 263130132 /nfs/dbraw/zinc/13/01/32/263130132.db2.gz QYBHFZVMAHYLGO-OAHLLOKOSA-N 1 2 285.347 1.700 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000294652147 263165418 /nfs/dbraw/zinc/16/54/18/263165418.db2.gz YORHIWWULYKQIP-WFASDCNBSA-N 1 2 272.352 1.862 20 30 CDEDLO COc1cccc(CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C#N)c1 ZINC000299149256 263231876 /nfs/dbraw/zinc/23/18/76/263231876.db2.gz DGROVULDNQJLIW-QWHCGFSZSA-N 1 2 289.379 1.791 20 30 CDEDLO COc1cccc(CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000299149256 263231877 /nfs/dbraw/zinc/23/18/77/263231877.db2.gz DGROVULDNQJLIW-QWHCGFSZSA-N 1 2 289.379 1.791 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000121555223 263295263 /nfs/dbraw/zinc/29/52/63/263295263.db2.gz RVVMEXXCCBIBIM-UHFFFAOYSA-N 1 2 262.309 1.530 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000121555223 263295266 /nfs/dbraw/zinc/29/52/66/263295266.db2.gz RVVMEXXCCBIBIM-UHFFFAOYSA-N 1 2 262.309 1.530 20 30 CDEDLO C=C(C)CCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000454554252 263332272 /nfs/dbraw/zinc/33/22/72/263332272.db2.gz WJICMRZQEDHPOO-STQMWFEESA-N 1 2 269.389 1.361 20 30 CDEDLO CC[C@@H]1COCCN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000330801745 264041972 /nfs/dbraw/zinc/04/19/72/264041972.db2.gz JJPISGBPQJQEMP-CYBMUJFWSA-N 1 2 292.383 1.672 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@H](CCO)c2ccco2)nn1 ZINC000653618780 424346764 /nfs/dbraw/zinc/34/67/64/424346764.db2.gz XNGZRCWNOHWHIA-CYBMUJFWSA-N 1 2 276.340 1.661 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000367741344 267114493 /nfs/dbraw/zinc/11/44/93/267114493.db2.gz QWZYNWKWPGBUII-LBPRGKRZSA-N 1 2 292.358 1.033 20 30 CDEDLO CC(C)[C@H](O)C[N@@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000368394805 267168353 /nfs/dbraw/zinc/16/83/53/267168353.db2.gz XBTGGERBPMPKTI-RBSFLKMASA-N 1 2 266.385 1.931 20 30 CDEDLO CC(C)[C@H](O)C[N@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000368394805 267168355 /nfs/dbraw/zinc/16/83/55/267168355.db2.gz XBTGGERBPMPKTI-RBSFLKMASA-N 1 2 266.385 1.931 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000368848005 267208712 /nfs/dbraw/zinc/20/87/12/267208712.db2.gz SJHFYLUEBDODCY-VIFPVBQESA-N 1 2 270.720 1.064 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000368848005 267208714 /nfs/dbraw/zinc/20/87/14/267208714.db2.gz SJHFYLUEBDODCY-VIFPVBQESA-N 1 2 270.720 1.064 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000370042422 267286433 /nfs/dbraw/zinc/28/64/33/267286433.db2.gz YDBZTKSSWDUOFV-LLVKDONJSA-N 1 2 278.805 1.239 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000370042422 267286436 /nfs/dbraw/zinc/28/64/36/267286436.db2.gz YDBZTKSSWDUOFV-LLVKDONJSA-N 1 2 278.805 1.239 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000278700848 277919834 /nfs/dbraw/zinc/91/98/34/277919834.db2.gz BERODUOPPCRURV-FZMZJTMJSA-N 1 2 263.341 1.790 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@]2(CCOC2)O1 ZINC000280111421 288212520 /nfs/dbraw/zinc/21/25/20/288212520.db2.gz AZWDJUKOTKMRMT-RISCZKNCSA-N 1 2 278.377 2.000 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@]2(CCOC2)O1 ZINC000280111421 288212521 /nfs/dbraw/zinc/21/25/21/288212521.db2.gz AZWDJUKOTKMRMT-RISCZKNCSA-N 1 2 278.377 2.000 20 30 CDEDLO Cc1nc(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)ccc1C#N ZINC000456367332 281838607 /nfs/dbraw/zinc/83/86/07/281838607.db2.gz HDRKTHPUSSJDSU-NOZJJQNGSA-N 1 2 281.319 1.894 20 30 CDEDLO C[C@H](NC(=O)Cc1c[nH+]cn1C)c1ccc(C#N)cc1 ZINC000554320248 290152344 /nfs/dbraw/zinc/15/23/44/290152344.db2.gz VIQIPMUYPNODSA-NSHDSACASA-N 1 2 268.320 1.712 20 30 CDEDLO N#Cc1cccc(F)c1CC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000556982210 290321054 /nfs/dbraw/zinc/32/10/54/290321054.db2.gz OMAFYXGTTVNYMC-GFCCVEGCSA-N 1 2 298.321 1.568 20 30 CDEDLO N#Cc1ccc(C[N@H+](CC(N)=O)Cc2ccccc2)nc1 ZINC000569181625 294169804 /nfs/dbraw/zinc/16/98/04/294169804.db2.gz WROLXWULQGLCLC-UHFFFAOYSA-N 1 2 280.331 1.441 20 30 CDEDLO N#Cc1ccc(C[N@@H+](CC(N)=O)Cc2ccccc2)nc1 ZINC000569181625 294169807 /nfs/dbraw/zinc/16/98/07/294169807.db2.gz WROLXWULQGLCLC-UHFFFAOYSA-N 1 2 280.331 1.441 20 30 CDEDLO N#CC1(F)CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000345824964 294791056 /nfs/dbraw/zinc/79/10/56/294791056.db2.gz NSHJNCAZQPWOSN-NSHDSACASA-N 1 2 291.330 1.235 20 30 CDEDLO N#Cc1ncccc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000378053847 295001196 /nfs/dbraw/zinc/00/11/96/295001196.db2.gz FQDPQNRRNYIFKH-LBPRGKRZSA-N 1 2 253.309 1.991 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCO[C@H]2CCC[C@H]21 ZINC000330281815 295385383 /nfs/dbraw/zinc/38/53/83/295385383.db2.gz UYIZQVIDMKPUPZ-UPJWGTAASA-N 1 2 290.367 1.365 20 30 CDEDLO C[C@H](C(=O)Nc1nccs1)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329918923 298243859 /nfs/dbraw/zinc/24/38/59/298243859.db2.gz GFCJCSWVIZNNDB-VWYCJHECSA-N 1 2 296.396 1.134 20 30 CDEDLO C[C@H](C(=O)Nc1nccs1)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329918923 298243862 /nfs/dbraw/zinc/24/38/62/298243862.db2.gz GFCJCSWVIZNNDB-VWYCJHECSA-N 1 2 296.396 1.134 20 30 CDEDLO C[C@@H](C#N)C[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000562999347 327740441 /nfs/dbraw/zinc/74/04/41/327740441.db2.gz KUIHHUPOWPJWDV-NSHDSACASA-N 1 2 252.339 1.210 20 30 CDEDLO C#CCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000048020036 328035940 /nfs/dbraw/zinc/03/59/40/328035940.db2.gz LEIAVVPVQSGLTP-UHFFFAOYSA-N 1 2 268.320 1.364 20 30 CDEDLO CC(C)N1CC[N@H+](Cc2ccc(OCC#N)cc2)CC1=O ZINC000272646663 328200270 /nfs/dbraw/zinc/20/02/70/328200270.db2.gz YLAPWKRIUIPJLF-UHFFFAOYSA-N 1 2 287.363 1.642 20 30 CDEDLO CC(C)N1CC[N@@H+](Cc2ccc(OCC#N)cc2)CC1=O ZINC000272646663 328200271 /nfs/dbraw/zinc/20/02/71/328200271.db2.gz YLAPWKRIUIPJLF-UHFFFAOYSA-N 1 2 287.363 1.642 20 30 CDEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000571652713 328213638 /nfs/dbraw/zinc/21/36/38/328213638.db2.gz CHOZLUPXBRQLGP-ZYHUDNBSSA-N 1 2 277.372 1.646 20 30 CDEDLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000282235801 328241835 /nfs/dbraw/zinc/24/18/35/328241835.db2.gz PQDMFNFOWMVHOG-CQSZACIVSA-N 1 2 294.376 1.208 20 30 CDEDLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000282235801 328241837 /nfs/dbraw/zinc/24/18/37/328241837.db2.gz PQDMFNFOWMVHOG-CQSZACIVSA-N 1 2 294.376 1.208 20 30 CDEDLO COc1ccccc1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284440203 328245833 /nfs/dbraw/zinc/24/58/33/328245833.db2.gz PFRUWVUYROPGIO-LBPRGKRZSA-N 1 2 250.298 1.663 20 30 CDEDLO C#CCNC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000042157245 328359981 /nfs/dbraw/zinc/35/99/81/328359981.db2.gz PAGWODAJQPEPPO-UHFFFAOYSA-N 1 2 264.756 1.911 20 30 CDEDLO C#CCNC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000042157245 328359982 /nfs/dbraw/zinc/35/99/82/328359982.db2.gz PAGWODAJQPEPPO-UHFFFAOYSA-N 1 2 264.756 1.911 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)[C@H](C)CO)CCC2 ZINC000330591512 328464272 /nfs/dbraw/zinc/46/42/72/328464272.db2.gz YYHXHCHAQKZVNL-NEPJUHHUSA-N 1 2 280.372 1.296 20 30 CDEDLO Cc1ccc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000565809803 327019336 /nfs/dbraw/zinc/01/93/36/327019336.db2.gz SOIZLRMRGMUERE-HNNXBMFYSA-N 1 2 259.353 1.498 20 30 CDEDLO C=CCC[C@H](O)C[NH2+][C@H](C(=O)OC)[C@H]1CCC[C@H](OC)C1 ZINC000566013363 327114513 /nfs/dbraw/zinc/11/45/13/327114513.db2.gz NTOIZHGQRRAJJP-AJNGGQMLSA-N 1 2 299.411 1.650 20 30 CDEDLO N#CCCC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000569488186 327185779 /nfs/dbraw/zinc/18/57/79/327185779.db2.gz HTNKZSONTOCNIJ-CQSZACIVSA-N 1 2 286.379 1.988 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000579113908 327356782 /nfs/dbraw/zinc/35/67/82/327356782.db2.gz WUTSVJPIRNSOTA-RYUDHWBXSA-N 1 2 260.341 1.454 20 30 CDEDLO CCn1cc[nH+]c1CNC(=O)C1(C#N)CCCCC1 ZINC000331310909 327391733 /nfs/dbraw/zinc/39/17/33/327391733.db2.gz GUHGKJIAKKYZHI-UHFFFAOYSA-N 1 2 260.341 1.993 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccccc1Cl ZINC000562323179 327470258 /nfs/dbraw/zinc/47/02/58/327470258.db2.gz TWTYNCYMIPRLPZ-ZDUSSCGKSA-N 1 2 265.744 1.914 20 30 CDEDLO CSCC[C@](C)(C#N)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000583634032 328723685 /nfs/dbraw/zinc/72/36/85/328723685.db2.gz GZARBUDYGVDTOT-DGCLKSJQSA-N 1 2 280.397 1.986 20 30 CDEDLO N#C[C@]1(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCOC1 ZINC000582443305 328998750 /nfs/dbraw/zinc/99/87/50/328998750.db2.gz IQEBJFVVJGODBW-MRXNPFEDSA-N 1 2 296.330 1.344 20 30 CDEDLO CCCCCNC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000177028776 329178404 /nfs/dbraw/zinc/17/84/04/329178404.db2.gz FBCHIOZMDWQBIG-UHFFFAOYSA-N 1 2 251.374 1.918 20 30 CDEDLO CCCCCNC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000177028776 329178405 /nfs/dbraw/zinc/17/84/05/329178405.db2.gz FBCHIOZMDWQBIG-UHFFFAOYSA-N 1 2 251.374 1.918 20 30 CDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cc(C)oc2C)CC1 ZINC000271905540 330082877 /nfs/dbraw/zinc/08/28/77/330082877.db2.gz RBJUDQVJIDWSLB-UHFFFAOYSA-N 1 2 296.392 1.226 20 30 CDEDLO C[N@H+](CC(=O)NCc1cccs1)CC(C)(C)C#N ZINC000433297942 330216533 /nfs/dbraw/zinc/21/65/33/330216533.db2.gz XXQOKRSKYXBLIS-UHFFFAOYSA-N 1 2 265.382 1.846 20 30 CDEDLO C[N@@H+](CC(=O)NCc1cccs1)CC(C)(C)C#N ZINC000433297942 330216534 /nfs/dbraw/zinc/21/65/34/330216534.db2.gz XXQOKRSKYXBLIS-UHFFFAOYSA-N 1 2 265.382 1.846 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cn(C)nc2C(F)F)nn1 ZINC000424166340 330309349 /nfs/dbraw/zinc/30/93/49/330309349.db2.gz AKYWIYBJPGCNLL-UHFFFAOYSA-N 1 2 282.298 1.425 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccccc2NC(C)=O)nn1 ZINC000424167228 330309784 /nfs/dbraw/zinc/30/97/84/330309784.db2.gz CDIPGHXDTZQQKP-UHFFFAOYSA-N 1 2 285.351 1.712 20 30 CDEDLO C=CCC[C@@H]([NH2+][C@@H](C)Cn1cccn1)C(=O)OCC ZINC000449656745 330942487 /nfs/dbraw/zinc/94/24/87/330942487.db2.gz MDWKYDKEVWGJQU-QWHCGFSZSA-N 1 2 265.357 1.759 20 30 CDEDLO COCCN(CC#N)C(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000457203376 331215597 /nfs/dbraw/zinc/21/55/97/331215597.db2.gz LPYRQCYKZAUKIC-UHFFFAOYSA-N 1 2 286.335 1.494 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000459043618 331267958 /nfs/dbraw/zinc/26/79/58/331267958.db2.gz DLWSNQVRFMGSHG-NWDGAFQWSA-N 1 2 280.372 1.448 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000490674793 332102148 /nfs/dbraw/zinc/10/21/48/332102148.db2.gz CVCLPDKMQFHUHS-JKSUJKDBSA-N 1 2 288.391 1.115 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000490674793 332102150 /nfs/dbraw/zinc/10/21/50/332102150.db2.gz CVCLPDKMQFHUHS-JKSUJKDBSA-N 1 2 288.391 1.115 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000490851777 332120767 /nfs/dbraw/zinc/12/07/67/332120767.db2.gz IFOILJJJHRHGTI-UHFFFAOYSA-N 1 2 284.403 1.640 20 30 CDEDLO C#CC[N@@H+]([C@@H]1CCS(=O)(=O)C1)[C@@H]1C=CCCC1 ZINC000490866106 332122122 /nfs/dbraw/zinc/12/21/22/332122122.db2.gz MLAGWKUHFIHQOR-CHWSQXEVSA-N 1 2 253.367 1.217 20 30 CDEDLO C#CC[N@H+]([C@@H]1CCS(=O)(=O)C1)[C@@H]1C=CCCC1 ZINC000490866106 332122124 /nfs/dbraw/zinc/12/21/24/332122124.db2.gz MLAGWKUHFIHQOR-CHWSQXEVSA-N 1 2 253.367 1.217 20 30 CDEDLO C#CC[N@@H+](CC)Cc1ccc(S(C)(=O)=O)cc1 ZINC000490893231 332124855 /nfs/dbraw/zinc/12/48/55/332124855.db2.gz SANJSWHYZGTQNL-UHFFFAOYSA-N 1 2 251.351 1.545 20 30 CDEDLO C#CC[N@H+](CC)Cc1ccc(S(C)(=O)=O)cc1 ZINC000490893231 332124856 /nfs/dbraw/zinc/12/48/56/332124856.db2.gz SANJSWHYZGTQNL-UHFFFAOYSA-N 1 2 251.351 1.545 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)N(C)CC(C)(C)C)CC1 ZINC000491045990 332142774 /nfs/dbraw/zinc/14/27/74/332142774.db2.gz NJUDBJZEMDTZNK-UHFFFAOYSA-N 1 2 251.374 1.335 20 30 CDEDLO C#CCNC(=O)C1CC[NH+](Cc2nccn2C(F)F)CC1 ZINC000491068257 332145193 /nfs/dbraw/zinc/14/51/93/332145193.db2.gz NGXJSFOBFBMGOU-UHFFFAOYSA-N 1 2 296.321 1.240 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000491338881 332192659 /nfs/dbraw/zinc/19/26/59/332192659.db2.gz MAMWBKNXVUHYDN-CQSZACIVSA-N 1 2 268.316 1.774 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000491338881 332192660 /nfs/dbraw/zinc/19/26/60/332192660.db2.gz MAMWBKNXVUHYDN-CQSZACIVSA-N 1 2 268.316 1.774 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@H](c2cccc(OC)c2)CC1=O ZINC000491362716 332197469 /nfs/dbraw/zinc/19/74/69/332197469.db2.gz UXGQINACJMTVIK-DZGCQCFKSA-N 1 2 286.375 1.922 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@H](c2cccc(OC)c2)CC1=O ZINC000491362716 332197470 /nfs/dbraw/zinc/19/74/70/332197470.db2.gz UXGQINACJMTVIK-DZGCQCFKSA-N 1 2 286.375 1.922 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccnn1-c1ccccc1OC ZINC000491363019 332197625 /nfs/dbraw/zinc/19/76/25/332197625.db2.gz WVPTVGAJTAAKPM-UHFFFAOYSA-N 1 2 279.343 1.949 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)NC2(CCCCCCC2)C1=O ZINC000491474955 332218404 /nfs/dbraw/zinc/21/84/04/332218404.db2.gz RFPKXYYYMHBQQU-ZDUSSCGKSA-N 1 2 291.395 1.932 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)NC2(CCCCCCC2)C1=O ZINC000491474955 332218405 /nfs/dbraw/zinc/21/84/05/332218405.db2.gz RFPKXYYYMHBQQU-ZDUSSCGKSA-N 1 2 291.395 1.932 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000491634267 332255621 /nfs/dbraw/zinc/25/56/21/332255621.db2.gz QPDPOKGMKRPGGY-UHFFFAOYSA-N 1 2 281.699 1.752 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000491634267 332255623 /nfs/dbraw/zinc/25/56/23/332255623.db2.gz QPDPOKGMKRPGGY-UHFFFAOYSA-N 1 2 281.699 1.752 20 30 CDEDLO C#C[C@H](CC)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000491637732 332258372 /nfs/dbraw/zinc/25/83/72/332258372.db2.gz WMTUJIYOILECKE-LLVKDONJSA-N 1 2 254.293 1.409 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1cc(C)nn1C(C)(C)C)C1CC1 ZINC000491656389 332268199 /nfs/dbraw/zinc/26/81/99/332268199.db2.gz SJGSFHRLQCZMLW-UHFFFAOYSA-N 1 2 288.395 1.983 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1cc(C)nn1C(C)(C)C)C1CC1 ZINC000491656389 332268200 /nfs/dbraw/zinc/26/82/00/332268200.db2.gz SJGSFHRLQCZMLW-UHFFFAOYSA-N 1 2 288.395 1.983 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000491665334 332274039 /nfs/dbraw/zinc/27/40/39/332274039.db2.gz KOOMDZWEAVHDJO-ZDUSSCGKSA-N 1 2 288.395 1.863 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCc1cc(F)cc(F)c1)C1CC1 ZINC000491692879 332289401 /nfs/dbraw/zinc/28/94/01/332289401.db2.gz HWLOZVAJGFGVKE-UHFFFAOYSA-N 1 2 278.302 1.679 20 30 CDEDLO C#CC[N@H+](CC(=O)NCc1cc(F)cc(F)c1)C1CC1 ZINC000491692879 332289403 /nfs/dbraw/zinc/28/94/03/332289403.db2.gz HWLOZVAJGFGVKE-UHFFFAOYSA-N 1 2 278.302 1.679 20 30 CDEDLO C#C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC000491709682 332301770 /nfs/dbraw/zinc/30/17/70/332301770.db2.gz RBSRFBXFLKBZPL-YPMHNXCESA-N 1 2 259.353 1.610 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H]2CCCCO2)n1 ZINC000491746725 332324328 /nfs/dbraw/zinc/32/43/28/332324328.db2.gz QRKMCGDIUOUOEI-INIZCTEOSA-N 1 2 291.395 1.534 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H]2CCCCO2)n1 ZINC000491746725 332324329 /nfs/dbraw/zinc/32/43/29/332324329.db2.gz QRKMCGDIUOUOEI-INIZCTEOSA-N 1 2 291.395 1.534 20 30 CDEDLO C#C[C@H](CC)NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000491804393 332358087 /nfs/dbraw/zinc/35/80/87/332358087.db2.gz LSEOUISSYUMKJS-GFCCVEGCSA-N 1 2 255.321 1.873 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](O)CCc1ccccc1 ZINC000491806255 332359633 /nfs/dbraw/zinc/35/96/33/332359633.db2.gz QVMYWGHCCMAETE-HOTGVXAUSA-N 1 2 259.349 1.314 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](O)CCc1ccccc1 ZINC000491806255 332359635 /nfs/dbraw/zinc/35/96/35/332359635.db2.gz QVMYWGHCCMAETE-HOTGVXAUSA-N 1 2 259.349 1.314 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1cccc(F)c1 ZINC000493223810 332431121 /nfs/dbraw/zinc/43/11/21/332431121.db2.gz RVLTYOGSYMGKPF-KIUWMYQTSA-N 1 2 275.327 1.799 20 30 CDEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C=[NH+]n2ccnn2)C1 ZINC000496926196 332564802 /nfs/dbraw/zinc/56/48/02/332564802.db2.gz ZYKXJSDUBMXXDR-GWCFXTLKSA-N 1 2 277.328 1.369 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCCCOC1CCCCC1 ZINC000174528094 333001448 /nfs/dbraw/zinc/00/14/48/333001448.db2.gz PARUSWGEEBRLCE-UHFFFAOYSA-N 1 2 290.407 1.410 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1nc2ccccc2s1 ZINC000192226570 333233115 /nfs/dbraw/zinc/23/31/15/333233115.db2.gz GVVUSYHGARKIPD-UHFFFAOYSA-N 1 2 259.334 1.800 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1nc2ccccc2s1 ZINC000192226570 333233116 /nfs/dbraw/zinc/23/31/16/333233116.db2.gz GVVUSYHGARKIPD-UHFFFAOYSA-N 1 2 259.334 1.800 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC[C@@H](C)C#N)CCC2 ZINC000541021809 333759581 /nfs/dbraw/zinc/75/95/81/333759581.db2.gz ZAGATWVFZXTQIU-CMPLNLGQSA-N 1 2 275.356 1.528 20 30 CDEDLO CCCCn1nnnc1C[NH+]1CCC(CC#N)CC1 ZINC000541023086 333759651 /nfs/dbraw/zinc/75/96/51/333759651.db2.gz LZGHQMFAMUTVTP-UHFFFAOYSA-N 1 2 262.361 1.599 20 30 CDEDLO N#CCC1CC[NH+](Cc2nnnn2Cc2ccccc2)CC1 ZINC000541948090 333803096 /nfs/dbraw/zinc/80/30/96/333803096.db2.gz FUPWVLOIYPKVMX-UHFFFAOYSA-N 1 2 296.378 1.847 20 30 CDEDLO COC(=O)c1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000555480784 334479669 /nfs/dbraw/zinc/47/96/69/334479669.db2.gz UIIMZIDJFOTSBV-OAHLLOKOSA-N 1 2 289.335 1.047 20 30 CDEDLO CC(C)c1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nc1 ZINC000567995646 334782703 /nfs/dbraw/zinc/78/27/03/334782703.db2.gz QWCZMSQQYQVYJL-OAHLLOKOSA-N 1 2 274.368 1.779 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000573060884 334904455 /nfs/dbraw/zinc/90/44/55/334904455.db2.gz LWGYTNQKJGOWMJ-OLZOCXBDSA-N 1 2 271.320 1.337 20 30 CDEDLO CSc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000577282925 335335026 /nfs/dbraw/zinc/33/50/26/335335026.db2.gz CVSOWYQCWIMPGE-CQSZACIVSA-N 1 2 277.393 1.982 20 30 CDEDLO C[C@H](CC(=O)NCC1CCN(CC#N)CC1)n1cc[nH+]c1 ZINC000577519863 335364183 /nfs/dbraw/zinc/36/41/83/335364183.db2.gz PRTFUJYYNSUCRQ-CYBMUJFWSA-N 1 2 289.383 1.186 20 30 CDEDLO CCCCS[C@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000578776230 335673648 /nfs/dbraw/zinc/67/36/48/335673648.db2.gz ZNSCBLOHSZFJIP-DGCLKSJQSA-N 1 2 271.430 1.868 20 30 CDEDLO COCC#CC[NH+]1CCN(c2nc(C)c(C)s2)CC1 ZINC000677819667 482299256 /nfs/dbraw/zinc/29/92/56/482299256.db2.gz JXBAHBDPXQXGFH-UHFFFAOYSA-N 1 2 279.409 1.532 20 30 CDEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000677603385 482726876 /nfs/dbraw/zinc/72/68/76/482726876.db2.gz JLMNCZDUZFAEIY-CQSZACIVSA-N 1 2 286.375 1.952 20 30 CDEDLO COCC#CC[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000669706045 482979990 /nfs/dbraw/zinc/97/99/90/482979990.db2.gz MGUVYERYAAKQLO-OAHLLOKOSA-N 1 2 288.391 1.788 20 30 CDEDLO COCC#CC[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000669706045 482979999 /nfs/dbraw/zinc/97/99/99/482979999.db2.gz MGUVYERYAAKQLO-OAHLLOKOSA-N 1 2 288.391 1.788 20 30 CDEDLO CCC#C[C@@H](C)[NH+]1CCN(Cc2nc(COC)no2)CC1 ZINC000682032485 483108534 /nfs/dbraw/zinc/10/85/34/483108534.db2.gz ITWUMFATKZDQQS-CYBMUJFWSA-N 1 2 292.383 1.136 20 30 CDEDLO C=CCOCCNC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668158948 483589055 /nfs/dbraw/zinc/58/90/55/483589055.db2.gz GDNISQBZPGBAGQ-UHFFFAOYSA-N 1 2 274.324 1.967 20 30 CDEDLO COCC#CC[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000680427864 483618693 /nfs/dbraw/zinc/61/86/93/483618693.db2.gz XNKUDBRGHIXVRZ-CYBMUJFWSA-N 1 2 285.347 1.961 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000049451118 518249018 /nfs/dbraw/zinc/24/90/18/518249018.db2.gz NHYVFIBMJOUKDR-UHFFFAOYSA-N 1 2 258.321 1.173 20 30 CDEDLO Cc1cc(N[C@@H]2CCC[N@@H+](C3COC3)C2)nc(C)c1C#N ZINC001168369980 1160826642 /nfs/dbraw/zinc/82/66/42/1160826642.db2.gz RKWLSUKJRLOJED-CYBMUJFWSA-N 1 2 286.379 1.845 20 30 CDEDLO Cc1cc(N[C@@H]2CCC[N@H+](C3COC3)C2)nc(C)c1C#N ZINC001168369980 1160826649 /nfs/dbraw/zinc/82/66/49/1160826649.db2.gz RKWLSUKJRLOJED-CYBMUJFWSA-N 1 2 286.379 1.845 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001106081128 1161048611 /nfs/dbraw/zinc/04/86/11/1161048611.db2.gz YAISSMINUNWHGC-SWLSCSKDSA-N 1 2 292.383 1.276 20 30 CDEDLO C#CCCCC(=O)N[C@@H](C)[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001113010381 1162068819 /nfs/dbraw/zinc/06/88/19/1162068819.db2.gz YHHSGZIMOJOTJG-NEPJUHHUSA-N 1 2 274.368 1.894 20 30 CDEDLO C[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CCO1 ZINC000329236403 534272956 /nfs/dbraw/zinc/27/29/56/534272956.db2.gz OGCYDRUVSBDODX-NEPJUHHUSA-N 1 2 278.356 1.395 20 30 CDEDLO CC(C)[NH+]1CCN(C(=O)c2sccc2C#N)CC1 ZINC000052034654 519680922 /nfs/dbraw/zinc/68/09/22/519680922.db2.gz LOTXBTDFUWLRDX-UHFFFAOYSA-N 1 2 263.366 1.786 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCCC(=O)N(CC)CC)CC1 ZINC001113435754 1162176140 /nfs/dbraw/zinc/17/61/40/1162176140.db2.gz ZOZJLJMYGYRWPA-UHFFFAOYSA-N 1 2 295.427 1.355 20 30 CDEDLO C#CCN(CC#C)c1nc(N2CCCC2)c(C)c[nH+]1 ZINC001157558629 1162178208 /nfs/dbraw/zinc/17/82/08/1162178208.db2.gz GYPQFLYQSOEHAF-UHFFFAOYSA-N 1 2 254.337 1.458 20 30 CDEDLO Cc1ccc2nc(C[NH2+][C@H]3CCC[C@@H]3C#N)cc(=O)n2c1 ZINC000332132001 534504332 /nfs/dbraw/zinc/50/43/32/534504332.db2.gz HFORINHEQFURLK-OCCSQVGLSA-N 1 2 282.347 1.785 20 30 CDEDLO N#CC1(F)CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000352492460 534567470 /nfs/dbraw/zinc/56/74/70/534567470.db2.gz YJAAMGHICSFGQQ-UHFFFAOYSA-N 1 2 267.348 1.717 20 30 CDEDLO CCNC(=O)N1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000182856331 521739874 /nfs/dbraw/zinc/73/98/74/521739874.db2.gz TXGWFVDXLHHJOD-CYBMUJFWSA-N 1 2 286.379 1.966 20 30 CDEDLO COCC[C@H]1COCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000365846328 521994976 /nfs/dbraw/zinc/99/49/76/521994976.db2.gz HYAYWOOHPUGANR-AWEZNQCLSA-N 1 2 278.327 1.935 20 30 CDEDLO COCC[C@H]1COCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000365846328 521994980 /nfs/dbraw/zinc/99/49/80/521994980.db2.gz HYAYWOOHPUGANR-AWEZNQCLSA-N 1 2 278.327 1.935 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CN(CC)c2ccccc2)CC1 ZINC001113673337 1162253539 /nfs/dbraw/zinc/25/35/39/1162253539.db2.gz NBUMVIXRGJWLRB-UHFFFAOYSA-N 1 2 287.407 1.843 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000157406422 523522181 /nfs/dbraw/zinc/52/21/81/523522181.db2.gz FCASIBDBFHUDBS-IUODEOHRSA-N 1 2 290.363 1.539 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000157406422 523522193 /nfs/dbraw/zinc/52/21/93/523522193.db2.gz FCASIBDBFHUDBS-IUODEOHRSA-N 1 2 290.363 1.539 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCCOC(C)C)CC1 ZINC001113728748 1162268003 /nfs/dbraw/zinc/26/80/03/1162268003.db2.gz IEKCNZPWNVESKM-UHFFFAOYSA-N 1 2 266.385 1.359 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338627225 524267190 /nfs/dbraw/zinc/26/71/90/524267190.db2.gz QHLUNKIWXKNWBX-NHYWBVRUSA-N 1 2 291.326 1.292 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338627225 524267199 /nfs/dbraw/zinc/26/71/99/524267199.db2.gz QHLUNKIWXKNWBX-NHYWBVRUSA-N 1 2 291.326 1.292 20 30 CDEDLO Cc1cc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)nc(C)n1 ZINC000340624871 524775019 /nfs/dbraw/zinc/77/50/19/524775019.db2.gz UCICITIQEUOEIJ-HNNXBMFYSA-N 1 2 295.346 1.281 20 30 CDEDLO Cc1ccn2cc(CNc3nccnc3C#N)[nH+]c2c1 ZINC000338718332 525617953 /nfs/dbraw/zinc/61/79/53/525617953.db2.gz VHEYHTDQLUNVQF-UHFFFAOYSA-N 1 2 264.292 1.917 20 30 CDEDLO N#Cc1ccc(-n2ccc(NCc3[nH]cc[nH+]3)n2)c(F)c1 ZINC000364683360 526583910 /nfs/dbraw/zinc/58/39/10/526583910.db2.gz SNGCSDSSHMJYNB-UHFFFAOYSA-N 1 2 282.282 1.640 20 30 CDEDLO C=CCOCCCC(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000347976374 526743083 /nfs/dbraw/zinc/74/30/83/526743083.db2.gz WFFOBCWPWVICOH-LLVKDONJSA-N 1 2 251.330 1.960 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000106861285 527125127 /nfs/dbraw/zinc/12/51/27/527125127.db2.gz ONAYTOOVMWOYPG-CQSZACIVSA-N 1 2 293.388 1.318 20 30 CDEDLO C#CCOc1ccccc1C[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000106861285 527125129 /nfs/dbraw/zinc/12/51/29/527125129.db2.gz ONAYTOOVMWOYPG-CQSZACIVSA-N 1 2 293.388 1.318 20 30 CDEDLO C=CCn1cccc1C(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000347641055 527386567 /nfs/dbraw/zinc/38/65/67/527386567.db2.gz IEXVVIYOUUKLFL-CQSZACIVSA-N 1 2 291.395 1.515 20 30 CDEDLO C=CCn1cccc1C(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000347641055 527386573 /nfs/dbraw/zinc/38/65/73/527386573.db2.gz IEXVVIYOUUKLFL-CQSZACIVSA-N 1 2 291.395 1.515 20 30 CDEDLO C#Cc1cccc(NC(=O)N(C)CC[NH+]2CCOCC2)c1 ZINC000105352488 527454427 /nfs/dbraw/zinc/45/44/27/527454427.db2.gz KXRYFDALCJBSBJ-UHFFFAOYSA-N 1 2 287.363 1.464 20 30 CDEDLO CCC(CC)C[N@H+](CCC#N)Cc1nc(=O)n(C)[nH]1 ZINC000347413179 528750293 /nfs/dbraw/zinc/75/02/93/528750293.db2.gz BFACXQCQJFBQCC-UHFFFAOYSA-N 1 2 265.361 1.260 20 30 CDEDLO CCC(CC)C[N@@H+](CCC#N)Cc1nc(=O)n(C)[nH]1 ZINC000347413179 528750295 /nfs/dbraw/zinc/75/02/95/528750295.db2.gz BFACXQCQJFBQCC-UHFFFAOYSA-N 1 2 265.361 1.260 20 30 CDEDLO CCCS(=O)(=O)NC1CC[NH+](CC2(C#N)CC2)CC1 ZINC000331508340 528812245 /nfs/dbraw/zinc/81/22/45/528812245.db2.gz ZUQJAWGSUGKEQL-UHFFFAOYSA-N 1 2 285.413 1.084 20 30 CDEDLO CCC(CC)[C@H](C(=O)N1CC(C)(C#N)C1)[NH+]1CCOCC1 ZINC000330088986 528842398 /nfs/dbraw/zinc/84/23/98/528842398.db2.gz VIJBBWCGJQJGBX-CQSZACIVSA-N 1 2 293.411 1.495 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@](C)(F)C1 ZINC000347390258 528850883 /nfs/dbraw/zinc/85/08/83/528850883.db2.gz SFHUFCRGTAOKQS-QWHCGFSZSA-N 1 2 255.337 1.475 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@](C)(F)C1 ZINC000347390258 528850887 /nfs/dbraw/zinc/85/08/87/528850887.db2.gz SFHUFCRGTAOKQS-QWHCGFSZSA-N 1 2 255.337 1.475 20 30 CDEDLO Cc1cn2cc(NC(=O)N3C[C@@H](F)C[C@@H]3CO)ccc2[nH+]1 ZINC000328599307 538238588 /nfs/dbraw/zinc/23/85/88/538238588.db2.gz BWRMDPCFEJOLSR-CMPLNLGQSA-N 1 2 292.314 1.593 20 30 CDEDLO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1n[nH]c(=O)[nH]1 ZINC000329285418 538555304 /nfs/dbraw/zinc/55/53/04/538555304.db2.gz OHFPSVKJOZFFAB-SECBINFHSA-N 1 2 267.333 1.231 20 30 CDEDLO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1n[nH]c(=O)[nH]1 ZINC000329285418 538555314 /nfs/dbraw/zinc/55/53/14/538555314.db2.gz OHFPSVKJOZFFAB-SECBINFHSA-N 1 2 267.333 1.231 20 30 CDEDLO Cc1nnc(CO[NH+]=C(N)c2ccc(F)cc2)o1 ZINC000727488401 574585772 /nfs/dbraw/zinc/58/57/72/574585772.db2.gz PGOMMMSEUOKALJ-UHFFFAOYSA-N 1 2 250.233 1.354 20 30 CDEDLO C#Cc1ccc(C(=O)NCCc2cn3ccccc3[nH+]2)nc1 ZINC000728806289 574648820 /nfs/dbraw/zinc/64/88/20/574648820.db2.gz WSWKNSFMBAEGOM-UHFFFAOYSA-N 1 2 290.326 1.683 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)OC)c1 ZINC000730096496 574848480 /nfs/dbraw/zinc/84/84/80/574848480.db2.gz UUGUOPOZJCDAGW-AWEZNQCLSA-N 1 2 286.331 1.509 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)OC)c1 ZINC000730096496 574848482 /nfs/dbraw/zinc/84/84/82/574848482.db2.gz UUGUOPOZJCDAGW-AWEZNQCLSA-N 1 2 286.331 1.509 20 30 CDEDLO COc1cc([N+](=O)[O-])ccc1N=NCc1[nH]cc[nH+]1 ZINC000731153135 575035571 /nfs/dbraw/zinc/03/55/71/575035571.db2.gz BRMWKWGGCMWDCL-UHFFFAOYSA-N 1 2 261.241 1.773 20 30 CDEDLO CN(C)C(=S)N[NH+]=Cc1ccccc1N1CCOCC1 ZINC000731560926 575055203 /nfs/dbraw/zinc/05/52/03/575055203.db2.gz GCABXLZFYAKDBF-UHFFFAOYSA-N 1 2 292.408 1.293 20 30 CDEDLO C[C@H](C#N)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000736671152 575716057 /nfs/dbraw/zinc/71/60/57/575716057.db2.gz BDZPTRQVSHBVIS-LLVKDONJSA-N 1 2 254.293 1.648 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2ccc3[nH]ccc3c2)CC1 ZINC000765806475 576057735 /nfs/dbraw/zinc/05/77/35/576057735.db2.gz VRHJXHWSXMTHOT-GQCTYLIASA-N 1 2 293.370 1.959 20 30 CDEDLO C=CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000741148001 576539003 /nfs/dbraw/zinc/53/90/03/576539003.db2.gz GLKLOILSYMRTKZ-NEPJUHHUSA-N 1 2 268.357 1.095 20 30 CDEDLO C=CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000741148001 576539004 /nfs/dbraw/zinc/53/90/04/576539004.db2.gz GLKLOILSYMRTKZ-NEPJUHHUSA-N 1 2 268.357 1.095 20 30 CDEDLO CCC(N=Nc1ccc(-n2cc[nH+]c2)nn1)c1nccn1C ZINC000761858690 576598494 /nfs/dbraw/zinc/59/84/94/576598494.db2.gz XCRFBBZZGBDYGI-UHFFFAOYSA-N 1 2 296.338 1.622 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(COC)o2)CC1 ZINC000744366195 576677689 /nfs/dbraw/zinc/67/76/89/576677689.db2.gz GOWMMOAWRPSLJV-UHFFFAOYSA-N 1 2 276.336 1.207 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2)CC1 ZINC000744422865 576680032 /nfs/dbraw/zinc/68/00/32/576680032.db2.gz AMGRLHKWPPKDGE-CYBMUJFWSA-N 1 2 290.338 1.370 20 30 CDEDLO COCC#CCOC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000762835999 576680438 /nfs/dbraw/zinc/68/04/38/576680438.db2.gz YVSBOULCRAXAQO-KFWWJZLASA-N 1 2 297.395 1.313 20 30 CDEDLO N#Cc1ccc(CCC(=O)OCCn2cc[nH+]c2)cc1 ZINC000763112309 576713953 /nfs/dbraw/zinc/71/39/53/576713953.db2.gz HUALJOYRKLMJDU-UHFFFAOYSA-N 1 2 269.304 1.931 20 30 CDEDLO COc1nccnc1N=NCc1c(C)[nH+]c2ccccn21 ZINC000763424307 576736547 /nfs/dbraw/zinc/73/65/47/576736547.db2.gz FPFXIQGLBUFVJB-UHFFFAOYSA-N 1 2 282.307 1.887 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(CC)ccc1O ZINC000746412392 576775335 /nfs/dbraw/zinc/77/53/35/576775335.db2.gz RKROWVONFJODSX-AWEZNQCLSA-N 1 2 272.348 1.991 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(CC)ccc1O ZINC000746412392 576775336 /nfs/dbraw/zinc/77/53/36/576775336.db2.gz RKROWVONFJODSX-AWEZNQCLSA-N 1 2 272.348 1.991 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cn1 ZINC000747400757 576868497 /nfs/dbraw/zinc/86/84/97/576868497.db2.gz MSVXISCUIFHSHO-GFCCVEGCSA-N 1 2 268.320 1.326 20 30 CDEDLO C#CCNC(=O)C[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000754301198 576891410 /nfs/dbraw/zinc/89/14/10/576891410.db2.gz HIDULMCUOWIDPT-CYBMUJFWSA-N 1 2 278.352 1.332 20 30 CDEDLO Cn1c[nH+]cc1COC(=O)c1ccccc1OCC#N ZINC000754683971 576910660 /nfs/dbraw/zinc/91/06/60/576910660.db2.gz FLPONAAREBNBMS-UHFFFAOYSA-N 1 2 271.276 1.679 20 30 CDEDLO Cc1ccc2[nH+]cc(C=NNC3CCOCC3)n2c1 ZINC000755766535 576959973 /nfs/dbraw/zinc/95/99/73/576959973.db2.gz OFGDVWRQRDWNEJ-UHFFFAOYSA-N 1 2 258.325 1.745 20 30 CDEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@H]2COC)c1=S ZINC000751947750 577077541 /nfs/dbraw/zinc/07/75/41/577077541.db2.gz VQRRHEMMEMMMNC-LBPRGKRZSA-N 1 2 282.413 1.977 20 30 CDEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H]2COC)c1=S ZINC000751947750 577077543 /nfs/dbraw/zinc/07/75/43/577077543.db2.gz VQRRHEMMEMMMNC-LBPRGKRZSA-N 1 2 282.413 1.977 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000890650188 617249057 /nfs/dbraw/zinc/24/90/57/617249057.db2.gz CGVPATSTMAVHRY-CHWSQXEVSA-N 1 2 257.337 1.460 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cccc3cn[nH]c32)C1 ZINC000951111808 612992532 /nfs/dbraw/zinc/99/25/32/612992532.db2.gz QYEUZTUQEKPCPX-UHFFFAOYSA-N 1 2 296.374 1.733 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cccc3c[nH]nc32)C1 ZINC000951111808 612992533 /nfs/dbraw/zinc/99/25/33/612992533.db2.gz QYEUZTUQEKPCPX-UHFFFAOYSA-N 1 2 296.374 1.733 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cncnc2CC)C1 ZINC000957399792 612993108 /nfs/dbraw/zinc/99/31/08/612993108.db2.gz XYTFXIPXUCIXQN-UHFFFAOYSA-N 1 2 286.379 1.209 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2cc(-c3ccco3)on2)CC1 ZINC000981713152 613156886 /nfs/dbraw/zinc/15/68/86/613156886.db2.gz DEXRFHHLXAZIPI-UHFFFAOYSA-N 1 2 299.330 1.716 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc(-c3ccco3)on2)CC1 ZINC000981713152 613156887 /nfs/dbraw/zinc/15/68/87/613156887.db2.gz DEXRFHHLXAZIPI-UHFFFAOYSA-N 1 2 299.330 1.716 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2sccc2F)CC1 ZINC000981085223 613160845 /nfs/dbraw/zinc/16/08/45/613160845.db2.gz BHANOKLWEMQZBI-UHFFFAOYSA-N 1 2 266.341 1.668 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2sccc2F)CC1 ZINC000981085223 613160847 /nfs/dbraw/zinc/16/08/47/613160847.db2.gz BHANOKLWEMQZBI-UHFFFAOYSA-N 1 2 266.341 1.668 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[NH+](CC=C(C)C)CC2)nc1 ZINC000957378885 613170073 /nfs/dbraw/zinc/17/00/73/613170073.db2.gz MZLNIITTYVPWLO-UHFFFAOYSA-N 1 2 283.375 1.787 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccccn3)CC2)C1 ZINC000949276880 613210528 /nfs/dbraw/zinc/21/05/28/613210528.db2.gz LJVYNEGQKSCJIH-UHFFFAOYSA-N 1 2 299.374 1.022 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccccn3)CC2)C1 ZINC000949276880 613210529 /nfs/dbraw/zinc/21/05/29/613210529.db2.gz LJVYNEGQKSCJIH-UHFFFAOYSA-N 1 2 299.374 1.022 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cncs2)C1 ZINC000965398250 613249866 /nfs/dbraw/zinc/24/98/66/613249866.db2.gz XIERVFFBLCPFOI-QWRGUYRKSA-N 1 2 263.366 1.217 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cncs2)C1 ZINC000965398250 613249867 /nfs/dbraw/zinc/24/98/67/613249867.db2.gz XIERVFFBLCPFOI-QWRGUYRKSA-N 1 2 263.366 1.217 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2[nH]cnc2CC)C1 ZINC000957336379 613296143 /nfs/dbraw/zinc/29/61/43/613296143.db2.gz VBUFXGPNMHMXPQ-UHFFFAOYSA-N 1 2 276.384 1.695 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2c(C)[nH]nc2Cl)CC1 ZINC000948682829 613320052 /nfs/dbraw/zinc/32/00/52/613320052.db2.gz HMJYGUBVCPJQAZ-UHFFFAOYSA-N 1 2 282.775 1.705 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cccc3c2OCC3)CC1 ZINC000950659111 613320947 /nfs/dbraw/zinc/32/09/47/613320947.db2.gz OPZHEPOZFLCTEU-UHFFFAOYSA-N 1 2 286.375 1.955 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccn3ccnc3c2)CC1 ZINC000949272190 613321238 /nfs/dbraw/zinc/32/12/38/613321238.db2.gz VGNKELRSYJGZEX-UHFFFAOYSA-N 1 2 284.363 1.668 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ncccc2OC)CC1 ZINC000957448260 613322055 /nfs/dbraw/zinc/32/20/55/613322055.db2.gz PYAPSAXAKFBUSS-UHFFFAOYSA-N 1 2 275.352 1.424 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccn(C)c2)C1 ZINC000969492319 613371772 /nfs/dbraw/zinc/37/17/72/613371772.db2.gz BNHXTKKCGKVDIT-LLVKDONJSA-N 1 2 281.787 1.828 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cn[nH]n1 ZINC000968931218 613372948 /nfs/dbraw/zinc/37/29/48/613372948.db2.gz JHZLJTCJTOTRDB-LLVKDONJSA-N 1 2 297.790 1.532 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1cn[nH]n1 ZINC000968931218 613372949 /nfs/dbraw/zinc/37/29/49/613372949.db2.gz JHZLJTCJTOTRDB-LLVKDONJSA-N 1 2 297.790 1.532 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2cnoc2)C1 ZINC000967946851 613375768 /nfs/dbraw/zinc/37/57/68/613375768.db2.gz UUUJVFGSTHSAIN-ZWNOBZJWSA-N 1 2 297.786 1.796 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2cnoc2)C1 ZINC000967946851 613375769 /nfs/dbraw/zinc/37/57/69/613375769.db2.gz UUUJVFGSTHSAIN-ZWNOBZJWSA-N 1 2 297.786 1.796 20 30 CDEDLO C=C1CC(C)(C(=O)N2CCN(Cc3c[nH+]cn3C)CC2)C1 ZINC000950373254 613393600 /nfs/dbraw/zinc/39/36/00/613393600.db2.gz OBACSZJZXKKOBZ-UHFFFAOYSA-N 1 2 288.395 1.421 20 30 CDEDLO C=CCCCN(CC)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000890813883 617338755 /nfs/dbraw/zinc/33/87/55/617338755.db2.gz OYKARKGTKIDANY-CQSZACIVSA-N 1 2 267.417 1.437 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCC[N@H+](CC(=O)NC2CC2)CC1 ZINC000981753343 613431128 /nfs/dbraw/zinc/43/11/28/613431128.db2.gz BKMNKFVLKKRXLI-UHFFFAOYSA-N 1 2 293.411 1.012 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+](CC(=O)NC2CC2)CC1 ZINC000981753343 613431132 /nfs/dbraw/zinc/43/11/32/613431132.db2.gz BKMNKFVLKKRXLI-UHFFFAOYSA-N 1 2 293.411 1.012 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2ccc3c(c2)COC3)CC1 ZINC000957458329 613563190 /nfs/dbraw/zinc/56/31/90/613563190.db2.gz BYWCEMUQUXISDL-UHFFFAOYSA-N 1 2 298.386 1.427 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)/C=C\C3CC3)C2)C1 ZINC000972314388 613570398 /nfs/dbraw/zinc/57/03/98/613570398.db2.gz CSLJWRNMLMLNMG-TUYSUELWSA-N 1 2 288.391 1.279 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)/C=C\C3CC3)C2)C1 ZINC000972314388 613570401 /nfs/dbraw/zinc/57/04/01/613570401.db2.gz CSLJWRNMLMLNMG-TUYSUELWSA-N 1 2 288.391 1.279 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(CC)CC)C2)C1 ZINC000972274697 613570658 /nfs/dbraw/zinc/57/06/58/613570658.db2.gz IVASZOUAGWIJRL-QGZVFWFLSA-N 1 2 292.423 1.749 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(CC)CC)C2)C1 ZINC000972274697 613570659 /nfs/dbraw/zinc/57/06/59/613570659.db2.gz IVASZOUAGWIJRL-QGZVFWFLSA-N 1 2 292.423 1.749 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc2nc[nH]c21 ZINC000962121016 613640542 /nfs/dbraw/zinc/64/05/42/613640542.db2.gz PFPHGLJBKZRVHI-NHAGDIPZSA-N 1 2 294.358 1.246 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc2nc[nH]c21 ZINC000962121016 613640545 /nfs/dbraw/zinc/64/05/45/613640545.db2.gz PFPHGLJBKZRVHI-NHAGDIPZSA-N 1 2 294.358 1.246 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@@]23CCOC3)C1 ZINC000957109147 613654904 /nfs/dbraw/zinc/65/49/04/613654904.db2.gz VTUZDYPYIUFQOD-DZGCQCFKSA-N 1 2 264.369 1.132 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2C(C)C)C1 ZINC000957059124 613654967 /nfs/dbraw/zinc/65/49/67/613654967.db2.gz NFYGBGNOQSKRQY-UONOGXRCSA-N 1 2 250.386 1.997 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@H]2OC)C1 ZINC000950666882 613655466 /nfs/dbraw/zinc/65/54/66/613655466.db2.gz KABSRLZGFVLCAV-UONOGXRCSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cc[nH]c(=O)c2)C1 ZINC000949878265 613658367 /nfs/dbraw/zinc/65/83/67/613658367.db2.gz WSLSWGJTFGZHAM-UHFFFAOYSA-N 1 2 261.325 1.120 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc(OC)c(F)c2)CC1 ZINC000949163887 613709512 /nfs/dbraw/zinc/70/95/12/613709512.db2.gz ULPODKQUSMXFKN-UHFFFAOYSA-N 1 2 292.354 1.707 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]nc2[C@@H]2CCCO2)CC1 ZINC000949817149 613714291 /nfs/dbraw/zinc/71/42/91/613714291.db2.gz RLZDCEPFLSNAPS-ZDUSSCGKSA-N 1 2 290.367 1.205 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnn3c2CCCC3)CC1 ZINC000957084308 613718443 /nfs/dbraw/zinc/71/84/43/613718443.db2.gz JSILGTIGVAMNBS-UHFFFAOYSA-N 1 2 274.368 1.163 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2[nH]ncc2C(F)(F)F)CC1 ZINC000948707265 613718813 /nfs/dbraw/zinc/71/88/13/613718813.db2.gz VKENQDNTVZYTCC-UHFFFAOYSA-N 1 2 288.273 1.372 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)co3)C2)C1 ZINC000972512625 613724397 /nfs/dbraw/zinc/72/43/97/613724397.db2.gz XOJDDJOOAKQILF-INIZCTEOSA-N 1 2 290.363 1.691 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)co3)C2)C1 ZINC000972512625 613724401 /nfs/dbraw/zinc/72/44/01/613724401.db2.gz XOJDDJOOAKQILF-INIZCTEOSA-N 1 2 290.363 1.691 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC3(C)CC3)C2)C1 ZINC000972468468 613725291 /nfs/dbraw/zinc/72/52/91/613725291.db2.gz BTFBNTPMPTUXJR-MRXNPFEDSA-N 1 2 278.396 1.666 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CC3(C)CC3)C2)C1 ZINC000972468468 613725294 /nfs/dbraw/zinc/72/52/94/613725294.db2.gz BTFBNTPMPTUXJR-MRXNPFEDSA-N 1 2 278.396 1.666 20 30 CDEDLO C=CC[N@H+](CN1C(=O)CC(C)(C)C1=O)[C@H](C)COC ZINC000853533184 617414764 /nfs/dbraw/zinc/41/47/64/617414764.db2.gz XEDICOZSGLHCTE-LLVKDONJSA-N 1 2 268.357 1.252 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)CC(C)(C)C1=O)[C@H](C)COC ZINC000853533184 617414765 /nfs/dbraw/zinc/41/47/65/617414765.db2.gz XEDICOZSGLHCTE-LLVKDONJSA-N 1 2 268.357 1.252 20 30 CDEDLO N#Cc1cc(N2CC[NH+](CCCO)CC2)c([N+](=O)[O-])s1 ZINC000892165576 617521047 /nfs/dbraw/zinc/52/10/47/617521047.db2.gz WKVBHRJKESREMQ-UHFFFAOYSA-N 1 2 296.352 1.032 20 30 CDEDLO Cc1cc(N2CCN(CC#N)CC2)nc(C2CCC2)[nH+]1 ZINC000892258804 617591070 /nfs/dbraw/zinc/59/10/70/617591070.db2.gz JIBQMDRPVKPVQR-UHFFFAOYSA-N 1 2 271.368 1.698 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581570 617680104 /nfs/dbraw/zinc/68/01/04/617680104.db2.gz KHXVSRYMCMDTGC-ZWNOBZJWSA-N 1 2 263.297 1.720 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581570 617680108 /nfs/dbraw/zinc/68/01/08/617680108.db2.gz KHXVSRYMCMDTGC-ZWNOBZJWSA-N 1 2 263.297 1.720 20 30 CDEDLO Cc1cc(C#N)nc(N2CC[NH+](Cc3cnn(C)c3)CC2)c1 ZINC000892391396 618125289 /nfs/dbraw/zinc/12/52/89/618125289.db2.gz YVMGPSPMCCKCGM-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1cnc2n1CCOC2 ZINC000893993892 618235515 /nfs/dbraw/zinc/23/55/15/618235515.db2.gz XGTBSHLEKZBRQW-UHFFFAOYSA-N 1 2 251.330 1.048 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1cnc2n1CCOC2 ZINC000893993892 618235517 /nfs/dbraw/zinc/23/55/17/618235517.db2.gz XGTBSHLEKZBRQW-UHFFFAOYSA-N 1 2 251.330 1.048 20 30 CDEDLO N#C[C@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000928219313 618574288 /nfs/dbraw/zinc/57/42/88/618574288.db2.gz UFGDPKNZYGTVRK-HIFRSBDPSA-N 1 2 291.395 1.392 20 30 CDEDLO N#C[C@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000928219313 618574292 /nfs/dbraw/zinc/57/42/92/618574292.db2.gz UFGDPKNZYGTVRK-HIFRSBDPSA-N 1 2 291.395 1.392 20 30 CDEDLO N#CCCC[N@@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826381484 618592226 /nfs/dbraw/zinc/59/22/26/618592226.db2.gz NONXPFYVURICMI-CQSZACIVSA-N 1 2 298.350 1.544 20 30 CDEDLO N#CCCC[N@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826381484 618592234 /nfs/dbraw/zinc/59/22/34/618592234.db2.gz NONXPFYVURICMI-CQSZACIVSA-N 1 2 298.350 1.544 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](CCC(=O)OC)C1 ZINC000880043957 618875208 /nfs/dbraw/zinc/87/52/08/618875208.db2.gz UPVJRKMJMUIHPO-NEPJUHHUSA-N 1 2 269.341 1.379 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](CCC(=O)OC)C1 ZINC000880043957 618875212 /nfs/dbraw/zinc/87/52/12/618875212.db2.gz UPVJRKMJMUIHPO-NEPJUHHUSA-N 1 2 269.341 1.379 20 30 CDEDLO C[C@@H](C#N)C[NH2+]Cc1c2c(nn1C)CCSC2 ZINC000894452496 618893591 /nfs/dbraw/zinc/89/35/91/618893591.db2.gz FZZUSWUHZRDTBG-VIFPVBQESA-N 1 2 250.371 1.459 20 30 CDEDLO CCOc1cccc(F)c1C[NH2+][C@H]1CCCN(O)C1=O ZINC000895158191 619373934 /nfs/dbraw/zinc/37/39/34/619373934.db2.gz XUAYWVPMONCTRB-LBPRGKRZSA-N 1 2 282.315 1.694 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2ccnc(Cl)c2Cl)CCCN1O ZINC000895161691 619380261 /nfs/dbraw/zinc/38/02/61/619380261.db2.gz SWTKONLZZXCGQL-MRVPVSSYSA-N 1 2 290.150 1.858 20 30 CDEDLO Cc1ccc(C#N)c(N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)n1 ZINC000895245008 619485507 /nfs/dbraw/zinc/48/55/07/619485507.db2.gz CBJASFDEFOMYGN-TZMCWYRMSA-N 1 2 273.384 1.308 20 30 CDEDLO Cc1ccc(C#N)c(N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)n1 ZINC000895245008 619485508 /nfs/dbraw/zinc/48/55/08/619485508.db2.gz CBJASFDEFOMYGN-TZMCWYRMSA-N 1 2 273.384 1.308 20 30 CDEDLO Cc1ccnc(N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c1C#N ZINC000895248096 619488994 /nfs/dbraw/zinc/48/89/94/619488994.db2.gz YOSAAHFRSYCBJV-JSGCOSHPSA-N 1 2 273.384 1.308 20 30 CDEDLO Cc1ccnc(N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)c1C#N ZINC000895248096 619488997 /nfs/dbraw/zinc/48/89/97/619488997.db2.gz YOSAAHFRSYCBJV-JSGCOSHPSA-N 1 2 273.384 1.308 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000895858802 619875360 /nfs/dbraw/zinc/87/53/60/619875360.db2.gz RVLPHPSTCIJRBD-NSHDSACASA-N 1 2 262.357 1.935 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(C#N)[nH]c1C ZINC000928646744 620308975 /nfs/dbraw/zinc/30/89/75/620308975.db2.gz LULUIPUFQZAQGX-LBPRGKRZSA-N 1 2 290.367 1.035 20 30 CDEDLO C#CCSCC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000896977904 620329739 /nfs/dbraw/zinc/32/97/39/620329739.db2.gz FEDRYEKEHDUABV-QWHCGFSZSA-N 1 2 277.393 1.659 20 30 CDEDLO C#C[C@H](CCC)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897553678 620987228 /nfs/dbraw/zinc/98/72/28/620987228.db2.gz VVPMSOBZLFITFG-BXUZGUMPSA-N 1 2 274.368 1.708 20 30 CDEDLO C#C[C@H](CCC)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897553678 620987233 /nfs/dbraw/zinc/98/72/33/620987233.db2.gz VVPMSOBZLFITFG-BXUZGUMPSA-N 1 2 274.368 1.708 20 30 CDEDLO C=C1C[NH+](C[C@@H](O)COc2ccc(CCC(C)=O)cc2)C1 ZINC000899900838 622517142 /nfs/dbraw/zinc/51/71/42/622517142.db2.gz WQEXITVSXRXBGT-MRXNPFEDSA-N 1 2 289.375 1.820 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)/C(F)=C(/C)C2CC2)CC1 ZINC000900473710 623148803 /nfs/dbraw/zinc/14/88/03/623148803.db2.gz IOWKWVCMLWVEEC-WYMLVPIESA-N 1 2 264.344 1.807 20 30 CDEDLO C[C@H](CNC(=O)c1cccc(C#CCO)c1)Cn1cc[nH+]c1 ZINC000900785780 623479629 /nfs/dbraw/zinc/47/96/29/623479629.db2.gz FTFXXRCWATWDQP-CQSZACIVSA-N 1 2 297.358 1.293 20 30 CDEDLO CCn1c[nH+]cc1C=C(C)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000901499328 624302639 /nfs/dbraw/zinc/30/26/39/624302639.db2.gz RIQZJPXASYGIIU-WEVVVXLNSA-N 1 2 269.308 1.727 20 30 CDEDLO CCn1c[nH+]cc1/C=C1/S/C(=N/C2CC2)NC1=O ZINC000901539904 624325951 /nfs/dbraw/zinc/32/59/51/624325951.db2.gz RNUWRJFKUBTEBN-BJMVGYQFSA-N 1 2 262.338 1.625 20 30 CDEDLO N#Cc1ccc(-c2ccn(C[N@H+]3CC[C@H]3CO)n2)cc1 ZINC000902633653 625069519 /nfs/dbraw/zinc/06/95/19/625069519.db2.gz XFECORKXWMLALD-AWEZNQCLSA-N 1 2 268.320 1.446 20 30 CDEDLO N#Cc1ccc(-c2ccn(C[N@@H+]3CC[C@H]3CO)n2)cc1 ZINC000902633653 625069528 /nfs/dbraw/zinc/06/95/28/625069528.db2.gz XFECORKXWMLALD-AWEZNQCLSA-N 1 2 268.320 1.446 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)C[C@@](C)(CC)C1=O)C(C)C ZINC000905750189 626945473 /nfs/dbraw/zinc/94/54/73/626945473.db2.gz VINKMEZVNIRDQH-CQSZACIVSA-N 1 2 250.342 1.463 20 30 CDEDLO C#CC[N@H+](CN1C(=O)C[C@@](C)(CC)C1=O)C(C)C ZINC000905750189 626945474 /nfs/dbraw/zinc/94/54/74/626945474.db2.gz VINKMEZVNIRDQH-CQSZACIVSA-N 1 2 250.342 1.463 20 30 CDEDLO C#CC[N@H+](CN1C(=O)CC2(CCCC2)C1=O)C(C)C ZINC000905741085 626955597 /nfs/dbraw/zinc/95/55/97/626955597.db2.gz BPIIBYGUMFNMQU-UHFFFAOYSA-N 1 2 262.353 1.607 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)CC2(CCCC2)C1=O)C(C)C ZINC000905741085 626955601 /nfs/dbraw/zinc/95/56/01/626955601.db2.gz BPIIBYGUMFNMQU-UHFFFAOYSA-N 1 2 262.353 1.607 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CC)c1ccccn1 ZINC000911138396 629178316 /nfs/dbraw/zinc/17/83/16/629178316.db2.gz NGQSAUKZSFPBOR-HIFRSBDPSA-N 1 2 271.364 1.747 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CC)c1ccccn1 ZINC000911138396 629178318 /nfs/dbraw/zinc/17/83/18/629178318.db2.gz NGQSAUKZSFPBOR-HIFRSBDPSA-N 1 2 271.364 1.747 20 30 CDEDLO C[Si](C)(C)C#CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000912331089 629912565 /nfs/dbraw/zinc/91/25/65/629912565.db2.gz ZIVOROBZRWWLSY-CYBMUJFWSA-N 1 2 289.455 1.833 20 30 CDEDLO C=CCN(C(=O)N[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC000918065618 632324838 /nfs/dbraw/zinc/32/48/38/632324838.db2.gz RVTYFEIVMILKJL-ZDUSSCGKSA-N 1 2 269.389 1.313 20 30 CDEDLO COC(=O)c1c(OC)cc[nH+]c1NCC(C)(C)S ZINC001170302221 1162329534 /nfs/dbraw/zinc/32/95/34/1162329534.db2.gz ABKFOJLLZKMRKO-UHFFFAOYSA-N 1 2 270.354 1.997 20 30 CDEDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ccc([N+](=O)[O-])cc1C#N ZINC001170342587 1162347999 /nfs/dbraw/zinc/34/79/99/1162347999.db2.gz IXCSAIJTBZFRKN-UHFFFAOYSA-N 1 2 287.279 1.167 20 30 CDEDLO N#Cc1n[nH]cc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC001131695400 1163005725 /nfs/dbraw/zinc/00/57/25/1163005725.db2.gz XFQYPZAISJBZJX-UHFFFAOYSA-N 1 2 292.302 1.778 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](OCC(=O)C(C)(C)C)C[C@H]1[C@@H]1O[C@@H]12 ZINC001204856464 1160566352 /nfs/dbraw/zinc/56/63/52/1160566352.db2.gz ZEBHSWRZDDJHON-NJFCNUMCSA-N 1 2 253.342 1.231 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](OCC(=O)C(C)(C)C)C[C@H]1[C@@H]1O[C@@H]12 ZINC001204856464 1160566356 /nfs/dbraw/zinc/56/63/56/1160566356.db2.gz ZEBHSWRZDDJHON-NJFCNUMCSA-N 1 2 253.342 1.231 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCC ZINC001230634425 1161918423 /nfs/dbraw/zinc/91/84/23/1161918423.db2.gz XAFSCEAZVDESRD-STQMWFEESA-N 1 2 281.400 1.010 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCC ZINC001230634425 1161918426 /nfs/dbraw/zinc/91/84/26/1161918426.db2.gz XAFSCEAZVDESRD-STQMWFEESA-N 1 2 281.400 1.010 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](OCC)[C@H]2CCOC2)CC1 ZINC001113161712 1162118969 /nfs/dbraw/zinc/11/89/69/1162118969.db2.gz ICWRXQPAWJHOEC-LSDHHAIUSA-N 1 2 296.411 1.148 20 30 CDEDLO C=CCCOCC(=O)NC[C@@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113639868 1162245957 /nfs/dbraw/zinc/24/59/57/1162245957.db2.gz MJYIDDOHVGCMPK-GFCCVEGCSA-N 1 2 292.383 1.319 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CC#Cc2ccccc2)CC1 ZINC001113668357 1162251483 /nfs/dbraw/zinc/25/14/83/1162251483.db2.gz CVMZZKDGGWJLTA-UHFFFAOYSA-N 1 2 268.360 1.758 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](C)OC[C@H]2CCCO2)CC1 ZINC001113718606 1162266168 /nfs/dbraw/zinc/26/61/68/1162266168.db2.gz HIOSQPWLEISVEF-HUUCEWRRSA-N 1 2 296.411 1.291 20 30 CDEDLO N#Cc1ccc(F)c(C[NH2+]C2CC[NH+](CC(=O)[O-])CC2)c1 ZINC001608206512 1164451489 /nfs/dbraw/zinc/45/14/89/1164451489.db2.gz HOBKMBMWHYPNCU-UHFFFAOYSA-N 1 2 291.326 1.336 20 30 CDEDLO C#C[C@@H]([NH2+]C1CC[NH+](CCCC(=O)[O-])CC1)[C@@H]1CCCO1 ZINC001609057630 1164750779 /nfs/dbraw/zinc/75/07/79/1164750779.db2.gz AYLIUINQKKPUDK-CABCVRRESA-N 1 2 294.395 1.086 20 30 CDEDLO N#Cc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cs1 ZINC001645812315 1167518256 /nfs/dbraw/zinc/51/82/56/1167518256.db2.gz WATAZUBQIHFUGC-UHFFFAOYSA-N 1 2 298.371 1.977 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1CC(=O)NCCCC1CCCCC1 ZINC001580044497 1172332392 /nfs/dbraw/zinc/33/23/92/1172332392.db2.gz CJIYAHCQSKWMII-HNNXBMFYSA-N 1 2 292.427 1.260 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1CNc1[nH+]ccc(C)c1-c1nn[nH]n1 ZINC001588728165 1173101670 /nfs/dbraw/zinc/10/16/70/1173101670.db2.gz NRCAYXALPCUKHD-QWRGUYRKSA-N 1 2 286.339 1.573 20 30 CDEDLO C[N@H+](Cc1cc(-c2nn[nH]n2)ccn1)[C@H]1CCC[C@@H]1C#N ZINC001591125814 1173574776 /nfs/dbraw/zinc/57/47/76/1173574776.db2.gz WECUTESMAXVZRM-YPMHNXCESA-N 1 2 283.339 1.386 20 30 CDEDLO C[N@@H+](Cc1cc(-c2nn[nH]n2)ccn1)[C@H]1CCC[C@@H]1C#N ZINC001591125814 1173574780 /nfs/dbraw/zinc/57/47/80/1173574780.db2.gz WECUTESMAXVZRM-YPMHNXCESA-N 1 2 283.339 1.386 20 30 CDEDLO C[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)[C@H]1CCC[C@H]1C#N ZINC001591150187 1173580636 /nfs/dbraw/zinc/58/06/36/1173580636.db2.gz SYCJMHJGXXSIIS-AAEUAGOBSA-N 1 2 283.339 1.386 20 30 CDEDLO C[N@@H+](Cc1ccnc(-c2nn[nH]n2)c1)[C@H]1CCC[C@H]1C#N ZINC001591150187 1173580642 /nfs/dbraw/zinc/58/06/42/1173580642.db2.gz SYCJMHJGXXSIIS-AAEUAGOBSA-N 1 2 283.339 1.386 20 30 CDEDLO Cn1cc[nH+]c1NN=Cc1ccccc1-c1nn[nH]n1 ZINC001592585875 1173925247 /nfs/dbraw/zinc/92/52/47/1173925247.db2.gz ZVPLZVTYXPDPBR-UHFFFAOYSA-N 1 2 268.284 1.046 20 30 CDEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC001602894141 1175446909 /nfs/dbraw/zinc/44/69/09/1175446909.db2.gz QORGBKLYRBPTBD-LLVKDONJSA-N 1 2 298.350 1.149 20 30 CDEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC001602894141 1175446911 /nfs/dbraw/zinc/44/69/11/1175446911.db2.gz QORGBKLYRBPTBD-LLVKDONJSA-N 1 2 298.350 1.149 20 30 CDEDLO CC(=[NH+]Nc1cccc(-c2nn[nH]n2)c1)c1ccc(N)nc1 ZINC001602908385 1175449045 /nfs/dbraw/zinc/44/90/45/1175449045.db2.gz VPPRKGLOLVVGPS-UHFFFAOYSA-N 1 2 294.322 1.680 20 30 CDEDLO C=CCC(C)(C)C(=O)NCCC[N@@H+](C)Cc1nonc1C ZINC001752076398 1184816164 /nfs/dbraw/zinc/81/61/64/1184816164.db2.gz SKOPTEQGUJDADG-UHFFFAOYSA-N 1 2 294.399 1.918 20 30 CDEDLO C=CCC(C)(C)C(=O)NCCC[N@H+](C)Cc1nonc1C ZINC001752076398 1184816169 /nfs/dbraw/zinc/81/61/69/1184816169.db2.gz SKOPTEQGUJDADG-UHFFFAOYSA-N 1 2 294.399 1.918 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@@H+](C)Cc1cncc(OC)n1 ZINC001753059431 1185026401 /nfs/dbraw/zinc/02/64/01/1185026401.db2.gz HVCUZPQWSFCLAG-UHFFFAOYSA-N 1 2 292.383 1.245 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@H+](C)Cc1cncc(OC)n1 ZINC001753059431 1185026409 /nfs/dbraw/zinc/02/64/09/1185026409.db2.gz HVCUZPQWSFCLAG-UHFFFAOYSA-N 1 2 292.383 1.245 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)CCc2c(C)noc2C)C1 ZINC001753393504 1185184165 /nfs/dbraw/zinc/18/41/65/1185184165.db2.gz RQDKNJJKLWFNBM-UHFFFAOYSA-N 1 2 275.352 1.048 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2(COC)CCCC2)C1 ZINC001753659057 1185291920 /nfs/dbraw/zinc/29/19/20/1185291920.db2.gz ZRZWOLRIDMJYRP-AWEZNQCLSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C2(COC)CCCC2)C1 ZINC001753659057 1185291928 /nfs/dbraw/zinc/29/19/28/1185291928.db2.gz ZRZWOLRIDMJYRP-AWEZNQCLSA-N 1 2 296.411 1.196 20 30 CDEDLO C=C(Cl)C[NH2+]C/C=C/CNC(=O)C(F)C(F)(F)F ZINC001754123670 1185475372 /nfs/dbraw/zinc/47/53/72/1185475372.db2.gz RJFOAQWSYAVKOJ-UFUPEUMYSA-N 1 2 288.672 1.901 20 30 CDEDLO C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@H](F)C(F)(F)F ZINC001754123670 1185475375 /nfs/dbraw/zinc/47/53/75/1185475375.db2.gz RJFOAQWSYAVKOJ-UFUPEUMYSA-N 1 2 288.672 1.901 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](CC)OC ZINC001754300860 1185559744 /nfs/dbraw/zinc/55/97/44/1185559744.db2.gz FPYGYIZKPBUZLZ-GHMZBOCLSA-N 1 2 262.781 1.600 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](CC)OC ZINC001754300860 1185559749 /nfs/dbraw/zinc/55/97/49/1185559749.db2.gz FPYGYIZKPBUZLZ-GHMZBOCLSA-N 1 2 262.781 1.600 20 30 CDEDLO C#CC[NH2+]CCCN(C)C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC001754377512 1185602789 /nfs/dbraw/zinc/60/27/89/1185602789.db2.gz ZHGCXJQCODPVDK-UHFFFAOYSA-N 1 2 294.786 1.625 20 30 CDEDLO C#CCCCCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccnn1C ZINC001754480805 1185637150 /nfs/dbraw/zinc/63/71/50/1185637150.db2.gz MIILJEIUPFBNGC-AWEZNQCLSA-N 1 2 288.395 1.304 20 30 CDEDLO C#CCCCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccnn1C ZINC001754480805 1185637152 /nfs/dbraw/zinc/63/71/52/1185637152.db2.gz MIILJEIUPFBNGC-AWEZNQCLSA-N 1 2 288.395 1.304 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@H]2CCOC[C@@H]2C)C1 ZINC001754581296 1185673522 /nfs/dbraw/zinc/67/35/22/1185673522.db2.gz XZUOMQMHXYHVBX-ZFWWWQNUSA-N 1 2 296.411 1.004 20 30 CDEDLO C[C@H](CC(=O)NC1(C)CCN(CC#N)CC1)n1cc[nH+]c1 ZINC001754628827 1185688949 /nfs/dbraw/zinc/68/89/49/1185688949.db2.gz HNAJBLASEYONMI-CYBMUJFWSA-N 1 2 289.383 1.328 20 30 CDEDLO C#CCCCCC(=O)NC[C@@H]1COCC[N@H+]1C[C@@H](C)OC ZINC001754964937 1185771065 /nfs/dbraw/zinc/77/10/65/1185771065.db2.gz HDBKDPJMTPAUHI-HUUCEWRRSA-N 1 2 296.411 1.032 20 30 CDEDLO C#CCCCCC(=O)NC[C@@H]1COCC[N@@H+]1C[C@@H](C)OC ZINC001754964937 1185771070 /nfs/dbraw/zinc/77/10/70/1185771070.db2.gz HDBKDPJMTPAUHI-HUUCEWRRSA-N 1 2 296.411 1.032 20 30 CDEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)CC[C@@H](C)CC ZINC001754971956 1185774474 /nfs/dbraw/zinc/77/44/74/1185774474.db2.gz DENHQECCMPORAU-LSDHHAIUSA-N 1 2 280.412 1.653 20 30 CDEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)CC[C@@H](C)CC ZINC001754971956 1185774477 /nfs/dbraw/zinc/77/44/77/1185774477.db2.gz DENHQECCMPORAU-LSDHHAIUSA-N 1 2 280.412 1.653 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCN(CC#N)CC1 ZINC001755029162 1185790203 /nfs/dbraw/zinc/79/02/03/1185790203.db2.gz MBBPUAMOHZXNJS-QWHCGFSZSA-N 1 2 289.383 1.083 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCN(CC#N)CC1 ZINC001755029162 1185790206 /nfs/dbraw/zinc/79/02/06/1185790206.db2.gz MBBPUAMOHZXNJS-QWHCGFSZSA-N 1 2 289.383 1.083 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)/C=C(\C)CC)CO2 ZINC001755061605 1185803181 /nfs/dbraw/zinc/80/31/81/1185803181.db2.gz MWIRSQAKBBKVAC-BLXFFLACSA-N 1 2 278.396 1.878 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2nnc(C)o2)C1 ZINC001755252149 1185877050 /nfs/dbraw/zinc/87/70/50/1185877050.db2.gz FOHSLLWGFJMDSK-MNOVXSKESA-N 1 2 292.383 1.717 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)SC)C2)C1 ZINC001755400138 1185940689 /nfs/dbraw/zinc/94/06/89/1185940689.db2.gz CQHQUOLNSAHNEC-ZFWWWQNUSA-N 1 2 298.452 1.617 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)SC)C2)C1 ZINC001755400138 1185940691 /nfs/dbraw/zinc/94/06/91/1185940691.db2.gz CQHQUOLNSAHNEC-ZFWWWQNUSA-N 1 2 298.452 1.617 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c1nc(C)no1 ZINC001755585213 1186002178 /nfs/dbraw/zinc/00/21/78/1186002178.db2.gz MEOYANVUPVBROC-NEPJUHHUSA-N 1 2 292.383 1.679 20 30 CDEDLO C#CC[C@@H](CCOC)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000858857262 705307302 /nfs/dbraw/zinc/30/73/02/705307302.db2.gz MBSVUNSJJJKASO-NEPJUHHUSA-N 1 2 278.356 1.110 20 30 CDEDLO C#CC[C@@H](CCOC)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000858857262 705307305 /nfs/dbraw/zinc/30/73/05/705307305.db2.gz MBSVUNSJJJKASO-NEPJUHHUSA-N 1 2 278.356 1.110 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844454109 705319451 /nfs/dbraw/zinc/31/94/51/705319451.db2.gz RGWBQOQUOZXNQB-DCQANWLSSA-N 1 2 285.338 1.626 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844454109 705319459 /nfs/dbraw/zinc/31/94/59/705319459.db2.gz RGWBQOQUOZXNQB-DCQANWLSSA-N 1 2 285.338 1.626 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@]2(C)CCC[C@H]2C)C1 ZINC001043774836 705334926 /nfs/dbraw/zinc/33/49/26/705334926.db2.gz NPISSUDRRDVTQB-CJNGLKHVSA-N 1 2 262.397 1.979 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc3ccccn3c2)C1 ZINC001031042839 705358113 /nfs/dbraw/zinc/35/81/13/705358113.db2.gz KDFKMPDISGFDPI-UHFFFAOYSA-N 1 2 269.348 1.929 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C[C@H](F)CC)cn1 ZINC001038931170 705359474 /nfs/dbraw/zinc/35/94/74/705359474.db2.gz HMHYLMVGKYNVLQ-HIFRSBDPSA-N 1 2 289.354 1.615 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C[C@H](F)CC)cn1 ZINC001038931170 705359478 /nfs/dbraw/zinc/35/94/78/705359478.db2.gz HMHYLMVGKYNVLQ-HIFRSBDPSA-N 1 2 289.354 1.615 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2ccnn2C)CC1 ZINC001000507182 705359648 /nfs/dbraw/zinc/35/96/48/705359648.db2.gz SPOIBYQGZDHODQ-UHFFFAOYSA-N 1 2 294.786 1.535 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2ccnn2C)CC1 ZINC001000507182 705359654 /nfs/dbraw/zinc/35/96/54/705359654.db2.gz SPOIBYQGZDHODQ-UHFFFAOYSA-N 1 2 294.786 1.535 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(COC)c2)C1 ZINC001030627060 705361023 /nfs/dbraw/zinc/36/10/23/705361023.db2.gz YBMHUGSFGXVSLG-UHFFFAOYSA-N 1 2 272.348 1.270 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3ccc(C)nc32)C1 ZINC001030498643 705375707 /nfs/dbraw/zinc/37/57/07/705375707.db2.gz LRGWSHDCVIUGPD-UHFFFAOYSA-N 1 2 293.370 1.981 20 30 CDEDLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H](C)c2cccc(C#N)c2)C1 ZINC000805479687 705389786 /nfs/dbraw/zinc/38/97/86/705389786.db2.gz SZOPKRFQDHPLGY-IUODEOHRSA-N 1 2 288.347 1.883 20 30 CDEDLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H](C)c2cccc(C#N)c2)C1 ZINC000805479687 705389810 /nfs/dbraw/zinc/38/98/10/705389810.db2.gz SZOPKRFQDHPLGY-IUODEOHRSA-N 1 2 288.347 1.883 20 30 CDEDLO C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001033083757 705432039 /nfs/dbraw/zinc/43/20/39/705432039.db2.gz KNHDIWNCBOEKTP-QWHCGFSZSA-N 1 2 288.395 1.548 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001033083757 705432041 /nfs/dbraw/zinc/43/20/41/705432041.db2.gz KNHDIWNCBOEKTP-QWHCGFSZSA-N 1 2 288.395 1.548 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1COc2cc(C)c(C)cc21 ZINC001038557354 705459878 /nfs/dbraw/zinc/45/98/78/705459878.db2.gz DIAFIFLKLQBLON-ZBFHGGJFSA-N 1 2 298.386 1.603 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1COc2cc(C)c(C)cc21 ZINC001038557354 705459887 /nfs/dbraw/zinc/45/98/87/705459887.db2.gz DIAFIFLKLQBLON-ZBFHGGJFSA-N 1 2 298.386 1.603 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1[nH]ccc1C)O2 ZINC001053597405 705468949 /nfs/dbraw/zinc/46/89/49/705468949.db2.gz DFBSMGCXYIXAKP-CYBMUJFWSA-N 1 2 289.379 1.472 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCCn3nccc32)C1 ZINC001030547291 705535188 /nfs/dbraw/zinc/53/51/88/705535188.db2.gz FILYINOWZXCRNN-CYBMUJFWSA-N 1 2 274.368 1.137 20 30 CDEDLO C#CC[C@H](CO)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000820581579 705549273 /nfs/dbraw/zinc/54/92/73/705549273.db2.gz WZKRWMUZNJJKHA-SNVBAGLBSA-N 1 2 273.340 1.377 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)CCc2ccccc21 ZINC001032811380 705554244 /nfs/dbraw/zinc/55/42/44/705554244.db2.gz ZBRCGEAOIRQQBH-BXWFABGCSA-N 1 2 294.398 1.809 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)CCc2ccccc21 ZINC001032811380 705554254 /nfs/dbraw/zinc/55/42/54/705554254.db2.gz ZBRCGEAOIRQQBH-BXWFABGCSA-N 1 2 294.398 1.809 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cc(C)n1 ZINC001032490391 705612567 /nfs/dbraw/zinc/61/25/67/705612567.db2.gz NXBCRMZOPPARJY-KBPBESRZSA-N 1 2 269.348 1.230 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cc(C)n1 ZINC001032490391 705612572 /nfs/dbraw/zinc/61/25/72/705612572.db2.gz NXBCRMZOPPARJY-KBPBESRZSA-N 1 2 269.348 1.230 20 30 CDEDLO CC[C@H](F)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(C#N)c1 ZINC001032364841 705651626 /nfs/dbraw/zinc/65/16/26/705651626.db2.gz UOKRQUIKTNJZKJ-UBHSHLNASA-N 1 2 290.342 1.533 20 30 CDEDLO CC[C@H](F)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(C#N)c1 ZINC001032364841 705651628 /nfs/dbraw/zinc/65/16/28/705651628.db2.gz UOKRQUIKTNJZKJ-UBHSHLNASA-N 1 2 290.342 1.533 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000854497602 705696597 /nfs/dbraw/zinc/69/65/97/705696597.db2.gz RRZLTBXNKRMFGR-LBPRGKRZSA-N 1 2 288.307 1.213 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000854497602 705696601 /nfs/dbraw/zinc/69/66/01/705696601.db2.gz RRZLTBXNKRMFGR-LBPRGKRZSA-N 1 2 288.307 1.213 20 30 CDEDLO CCOc1cccc(/C=N\[C@H](C)C[NH+]2CCOCC2)c1O ZINC000255397720 705705829 /nfs/dbraw/zinc/70/58/29/705705829.db2.gz QLVQDNYEQVMUDO-GPLLRDDGSA-N 1 2 292.379 1.931 20 30 CDEDLO C[N@H+](CCCF)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000887142611 705731489 /nfs/dbraw/zinc/73/14/89/705731489.db2.gz SFJCCGLCTQPOKD-UHFFFAOYSA-N 1 2 285.344 1.018 20 30 CDEDLO C[N@@H+](CCCF)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000887142611 705731490 /nfs/dbraw/zinc/73/14/90/705731490.db2.gz SFJCCGLCTQPOKD-UHFFFAOYSA-N 1 2 285.344 1.018 20 30 CDEDLO C=C(C)C[C@H](CO)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000883734366 705753177 /nfs/dbraw/zinc/75/31/77/705753177.db2.gz WJEOUVGAOXIHHQ-CQSZACIVSA-N 1 2 277.368 1.825 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)OCCCC)nn1 ZINC000881292100 705787892 /nfs/dbraw/zinc/78/78/92/705787892.db2.gz ABWUZVCBKUCTOY-LBPRGKRZSA-N 1 2 278.356 1.295 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnc(C)[nH]1 ZINC001027782021 705793689 /nfs/dbraw/zinc/79/36/89/705793689.db2.gz OKQZLFPBLXCBGY-LLVKDONJSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc(C)[nH]1 ZINC001027782021 705793699 /nfs/dbraw/zinc/79/36/99/705793699.db2.gz OKQZLFPBLXCBGY-LLVKDONJSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cn3ccccc3n2)C1 ZINC001031346708 705802973 /nfs/dbraw/zinc/80/29/73/705802973.db2.gz BHOAKTVOIGQWAF-UHFFFAOYSA-N 1 2 270.336 1.324 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@](C)(CCC)C1 ZINC000884143908 705807235 /nfs/dbraw/zinc/80/72/35/705807235.db2.gz VDQZHNWKYSPLBT-XJKSGUPXSA-N 1 2 296.411 1.862 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c(C)cccn2c1 ZINC001032727614 705807374 /nfs/dbraw/zinc/80/73/74/705807374.db2.gz BCPZJRUKWIUUAW-HOTGVXAUSA-N 1 2 293.370 1.780 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c(C)cccn2c1 ZINC001032727614 705807380 /nfs/dbraw/zinc/80/73/80/705807380.db2.gz BCPZJRUKWIUUAW-HOTGVXAUSA-N 1 2 293.370 1.780 20 30 CDEDLO C=CCONC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000838711297 705818686 /nfs/dbraw/zinc/81/86/86/705818686.db2.gz IAJGVDSPFQIITG-NWDGAFQWSA-N 1 2 264.329 1.593 20 30 CDEDLO CN(Cc1cc(C#N)cs1)C(=O)CCc1[nH]cc[nH+]1 ZINC000887968436 705834968 /nfs/dbraw/zinc/83/49/68/705834968.db2.gz LASCZEVENUXYDQ-UHFFFAOYSA-N 1 2 274.349 1.934 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cccn1 ZINC001018153927 705843453 /nfs/dbraw/zinc/84/34/53/705843453.db2.gz BRWQWUSKALUGTC-SOUVJXGZSA-N 1 2 286.379 1.143 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cccn1 ZINC001018153927 705843455 /nfs/dbraw/zinc/84/34/55/705843455.db2.gz BRWQWUSKALUGTC-SOUVJXGZSA-N 1 2 286.379 1.143 20 30 CDEDLO C[C@@H]1CC[N@H+](Cn2nc(CC#N)n(C)c2=S)C[C@H]1C ZINC000794639856 705870955 /nfs/dbraw/zinc/87/09/55/705870955.db2.gz MMUALXGKOMZEPI-GHMZBOCLSA-N 1 2 279.413 1.953 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cn2nc(CC#N)n(C)c2=S)C[C@H]1C ZINC000794639856 705870957 /nfs/dbraw/zinc/87/09/57/705870957.db2.gz MMUALXGKOMZEPI-GHMZBOCLSA-N 1 2 279.413 1.953 20 30 CDEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(N)nc3)CC2)c1 ZINC000929269000 705875306 /nfs/dbraw/zinc/87/53/06/705875306.db2.gz JZIUSXHMTMDQGA-UHFFFAOYSA-N 1 2 294.362 1.253 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@]2(C)[C@H]3Cc4ccccc4[C@H]32)C1 ZINC001030572588 705879434 /nfs/dbraw/zinc/87/94/34/705879434.db2.gz DTARCJSPCSFDOC-YQVWRLOYSA-N 1 2 294.398 1.786 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnccn2)C1 ZINC001034087506 705885839 /nfs/dbraw/zinc/88/58/39/705885839.db2.gz QIZUZQLHBHANEI-GFCCVEGCSA-N 1 2 294.786 1.813 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cnccn2)C1 ZINC001034087506 705885841 /nfs/dbraw/zinc/88/58/41/705885841.db2.gz QIZUZQLHBHANEI-GFCCVEGCSA-N 1 2 294.786 1.813 20 30 CDEDLO N#CCN1CCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001072857294 705895659 /nfs/dbraw/zinc/89/56/59/705895659.db2.gz SKBPSNOTLNKRON-UHFFFAOYSA-N 1 2 295.346 1.234 20 30 CDEDLO C#CCCOC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000859077626 705946213 /nfs/dbraw/zinc/94/62/13/705946213.db2.gz RSDRCCVEXYNZSB-GFCCVEGCSA-N 1 2 259.309 1.410 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccc3cn[nH]c32)C1 ZINC001043504964 705951411 /nfs/dbraw/zinc/95/14/11/705951411.db2.gz UKRXXGHCBOUQPU-UHFFFAOYSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccc3c[nH]nc32)C1 ZINC001043504964 705951415 /nfs/dbraw/zinc/95/14/15/705951415.db2.gz UKRXXGHCBOUQPU-UHFFFAOYSA-N 1 2 282.347 1.342 20 30 CDEDLO Cc1[nH+]cc(C=NN[C@H](CO)c2ccccc2)n1C ZINC000853339950 705961483 /nfs/dbraw/zinc/96/14/83/705961483.db2.gz HHNYSQZCUPIOLP-CQSZACIVSA-N 1 2 258.325 1.386 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001033388014 705983787 /nfs/dbraw/zinc/98/37/87/705983787.db2.gz RVDIUAILLUPHMN-SNVBAGLBSA-N 1 2 298.774 1.025 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001033388014 705983803 /nfs/dbraw/zinc/98/38/03/705983803.db2.gz RVDIUAILLUPHMN-SNVBAGLBSA-N 1 2 298.774 1.025 20 30 CDEDLO N#Cc1cncc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000721556169 706003921 /nfs/dbraw/zinc/00/39/21/706003921.db2.gz JMANIEHUONWLED-LLVKDONJSA-N 1 2 271.242 1.452 20 30 CDEDLO N#Cc1cncc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000721556169 706003923 /nfs/dbraw/zinc/00/39/23/706003923.db2.gz JMANIEHUONWLED-LLVKDONJSA-N 1 2 271.242 1.452 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C2(CC(C)=O)CCC2)C1 ZINC000923560881 706025419 /nfs/dbraw/zinc/02/54/19/706025419.db2.gz LTZKQNRKXMXMCX-AWEZNQCLSA-N 1 2 276.380 1.350 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C2(CC(C)=O)CCC2)C1 ZINC000923560881 706025425 /nfs/dbraw/zinc/02/54/25/706025425.db2.gz LTZKQNRKXMXMCX-AWEZNQCLSA-N 1 2 276.380 1.350 20 30 CDEDLO C#CCCCCCCN1CC[NH+](CCOC)CC1 ZINC000876557492 706038011 /nfs/dbraw/zinc/03/80/11/706038011.db2.gz XXLBBKIFBWEYEL-UHFFFAOYSA-N 1 2 252.402 1.834 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cnc3n2CCC3)C1 ZINC001031742081 706050017 /nfs/dbraw/zinc/05/00/17/706050017.db2.gz SWCIPDYUHYVSOQ-UHFFFAOYSA-N 1 2 294.786 1.243 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nc(OC)c1 ZINC001032590930 706061741 /nfs/dbraw/zinc/06/17/41/706061741.db2.gz FMANVEAKTSOGAO-GJZGRUSLSA-N 1 2 299.374 1.321 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nc(OC)c1 ZINC001032590930 706061744 /nfs/dbraw/zinc/06/17/44/706061744.db2.gz FMANVEAKTSOGAO-GJZGRUSLSA-N 1 2 299.374 1.321 20 30 CDEDLO C=C(C)C[C@H](CO)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000882897645 706066943 /nfs/dbraw/zinc/06/69/43/706066943.db2.gz OQMVEJBBYVLDOQ-GFCCVEGCSA-N 1 2 286.335 1.324 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC23CCC3)C1 ZINC001035527850 706078028 /nfs/dbraw/zinc/07/80/28/706078028.db2.gz ZGBYZGSWKHICNT-QWHCGFSZSA-N 1 2 264.369 1.180 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC23CCC3)C1 ZINC001035527850 706078032 /nfs/dbraw/zinc/07/80/32/706078032.db2.gz ZGBYZGSWKHICNT-QWHCGFSZSA-N 1 2 264.369 1.180 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)n1C ZINC001017343231 706083492 /nfs/dbraw/zinc/08/34/92/706083492.db2.gz HHJWKIHQKAZYSM-OKILXGFUSA-N 1 2 271.364 1.256 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)n1C ZINC001017343231 706083493 /nfs/dbraw/zinc/08/34/93/706083493.db2.gz HHJWKIHQKAZYSM-OKILXGFUSA-N 1 2 271.364 1.256 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2nccs2)CC[C@@H]1C ZINC001071930446 706102654 /nfs/dbraw/zinc/10/26/54/706102654.db2.gz FEAGZKCMFGQALR-WDEREUQCSA-N 1 2 263.366 1.359 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2nccs2)CC[C@@H]1C ZINC001071930446 706102655 /nfs/dbraw/zinc/10/26/55/706102655.db2.gz FEAGZKCMFGQALR-WDEREUQCSA-N 1 2 263.366 1.359 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001043911327 706106063 /nfs/dbraw/zinc/10/60/63/706106063.db2.gz OUTNWEMDUHTQCC-ZIAGYGMSSA-N 1 2 288.395 1.242 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2occc2C)C1 ZINC001035291497 706108712 /nfs/dbraw/zinc/10/87/12/706108712.db2.gz UDTCLSNNYDFLCL-ZDUSSCGKSA-N 1 2 276.336 1.042 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2occc2C)C1 ZINC001035291497 706108716 /nfs/dbraw/zinc/10/87/16/706108716.db2.gz UDTCLSNNYDFLCL-ZDUSSCGKSA-N 1 2 276.336 1.042 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnns2)[C@H]1C ZINC000993079290 706114212 /nfs/dbraw/zinc/11/42/12/706114212.db2.gz MMVYLHPYNZWRMG-GHMZBOCLSA-N 1 2 278.381 1.144 20 30 CDEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cnns2)[C@H]1C ZINC000993079290 706114219 /nfs/dbraw/zinc/11/42/19/706114219.db2.gz MMVYLHPYNZWRMG-GHMZBOCLSA-N 1 2 278.381 1.144 20 30 CDEDLO Cc1nn(C)c(N)c1C=[NH+]Nc1cccc([N+](=O)[O-])c1 ZINC000814694720 706135521 /nfs/dbraw/zinc/13/55/21/706135521.db2.gz WFTRNGYHRRBBOW-UHFFFAOYSA-N 1 2 274.284 1.665 20 30 CDEDLO CCOc1ccc(N[NH+]=Cc2cn(C)[nH]c2=O)cc1 ZINC000814984597 706159397 /nfs/dbraw/zinc/15/93/97/706159397.db2.gz CVMPCQLBHVNOAG-UHFFFAOYSA-N 1 2 260.297 1.970 20 30 CDEDLO C=CCC(F)(F)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000815874926 706207737 /nfs/dbraw/zinc/20/77/37/706207737.db2.gz YJUGXOFTEYRKQB-JTQLQIEISA-N 1 2 269.295 1.947 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3cncn3C)C2)C1 ZINC001015673002 706224268 /nfs/dbraw/zinc/22/42/68/706224268.db2.gz FQHDTNMHQIOKHH-ZDUSSCGKSA-N 1 2 288.395 1.467 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3cncn3C)C2)C1 ZINC001015673002 706224273 /nfs/dbraw/zinc/22/42/73/706224273.db2.gz FQHDTNMHQIOKHH-ZDUSSCGKSA-N 1 2 288.395 1.467 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2sc(C)nc2C)C1 ZINC001030706830 709629103 /nfs/dbraw/zinc/62/91/03/709629103.db2.gz UERGLHVHTIUFGC-UHFFFAOYSA-N 1 2 277.393 1.126 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCO[C@H](CCC)C2)C1 ZINC001031155241 709642996 /nfs/dbraw/zinc/64/29/96/709642996.db2.gz IFCODZOSZYZEHA-DZGCQCFKSA-N 1 2 280.412 1.958 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C=C3CCC3)C[C@H]21 ZINC001074209337 709646541 /nfs/dbraw/zinc/64/65/41/709646541.db2.gz WNVNLRUFPMOIDL-HZPDHXFCSA-N 1 2 288.391 1.422 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C=C3CCC3)C[C@H]21 ZINC001074209337 709646562 /nfs/dbraw/zinc/64/65/62/709646562.db2.gz WNVNLRUFPMOIDL-HZPDHXFCSA-N 1 2 288.391 1.422 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2nc3c(s2)CCC3)C1 ZINC001015266113 709687359 /nfs/dbraw/zinc/68/73/59/709687359.db2.gz BECYJUXXUUSWEK-JTQLQIEISA-N 1 2 275.377 1.069 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2nc3c(s2)CCC3)C1 ZINC001015266113 709687368 /nfs/dbraw/zinc/68/73/68/709687368.db2.gz BECYJUXXUUSWEK-JTQLQIEISA-N 1 2 275.377 1.069 20 30 CDEDLO Cc1ccc(NC(=O)N2CC[C@](F)(C#N)C2)c(N(C)C)[nH+]1 ZINC000786120295 709746650 /nfs/dbraw/zinc/74/66/50/709746650.db2.gz LCWHJLCTRMBQHP-AWEZNQCLSA-N 1 2 291.330 1.926 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)n[nH]1 ZINC001027763338 709760527 /nfs/dbraw/zinc/76/05/27/709760527.db2.gz HQPRQJCVPGPBEC-NSHDSACASA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)n[nH]1 ZINC001027763338 709760539 /nfs/dbraw/zinc/76/05/39/709760539.db2.gz HQPRQJCVPGPBEC-NSHDSACASA-N 1 2 282.775 1.665 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cn(CCCC)nc2C)C1 ZINC001031230378 709794217 /nfs/dbraw/zinc/79/42/17/709794217.db2.gz JJJPNSVFWYKEAR-UHFFFAOYSA-N 1 2 288.395 1.429 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000827910442 709798354 /nfs/dbraw/zinc/79/83/54/709798354.db2.gz JZTAUAUDQIJHSB-JSGCOSHPSA-N 1 2 276.384 1.495 20 30 CDEDLO Cc1cnc(C[N@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)o1 ZINC001072559728 709830628 /nfs/dbraw/zinc/83/06/28/709830628.db2.gz PNKONOHFQMMFMS-NSHDSACASA-N 1 2 288.351 1.177 20 30 CDEDLO Cc1cnc(C[N@@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)o1 ZINC001072559728 709830629 /nfs/dbraw/zinc/83/06/29/709830629.db2.gz PNKONOHFQMMFMS-NSHDSACASA-N 1 2 288.351 1.177 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001031274245 709839587 /nfs/dbraw/zinc/83/95/87/709839587.db2.gz NBJVEXVJKIZVPJ-AWEZNQCLSA-N 1 2 270.376 1.922 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)oc1C ZINC001038055778 709855717 /nfs/dbraw/zinc/85/57/17/709855717.db2.gz ZEVAJJKEHYSDEK-CYBMUJFWSA-N 1 2 260.337 1.724 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)oc1C ZINC001038055778 709855718 /nfs/dbraw/zinc/85/57/18/709855718.db2.gz ZEVAJJKEHYSDEK-CYBMUJFWSA-N 1 2 260.337 1.724 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC001031023341 709858213 /nfs/dbraw/zinc/85/82/13/709858213.db2.gz XERFROPIJAQUQY-UHFFFAOYSA-N 1 2 294.358 1.514 20 30 CDEDLO C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)c2cn[nH]n2)CC1 ZINC000997656112 709896210 /nfs/dbraw/zinc/89/62/10/709896210.db2.gz DBUWBFJIHADLRV-JTQLQIEISA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)c2cnn[nH]2)CC1 ZINC000997656112 709896212 /nfs/dbraw/zinc/89/62/12/709896212.db2.gz DBUWBFJIHADLRV-JTQLQIEISA-N 1 2 297.790 1.388 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC001038654447 709930345 /nfs/dbraw/zinc/93/03/45/709930345.db2.gz LDSDAYRRBSRPOJ-CQSZACIVSA-N 1 2 274.339 1.962 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC001038654447 709930349 /nfs/dbraw/zinc/93/03/49/709930349.db2.gz LDSDAYRRBSRPOJ-CQSZACIVSA-N 1 2 274.339 1.962 20 30 CDEDLO Cn1c[nH+]cc1CCOC(=O)c1cccc(C#CCO)c1 ZINC000860077845 709931604 /nfs/dbraw/zinc/93/16/04/709931604.db2.gz VTCQZUBUSSGSAG-UHFFFAOYSA-N 1 2 284.315 1.163 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000884128196 709967201 /nfs/dbraw/zinc/96/72/01/709967201.db2.gz WXFNJGJCEKTLCU-OBJOEFQTSA-N 1 2 296.411 1.859 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1oc(C)cc1C ZINC001032341360 710042586 /nfs/dbraw/zinc/04/25/86/710042586.db2.gz SYGXFGIRRVMVHF-STQMWFEESA-N 1 2 260.337 1.981 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1oc(C)cc1C ZINC001032341360 710042594 /nfs/dbraw/zinc/04/25/94/710042594.db2.gz SYGXFGIRRVMVHF-STQMWFEESA-N 1 2 260.337 1.981 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cc(C3CC3)no2)C1 ZINC001042897280 710052618 /nfs/dbraw/zinc/05/26/18/710052618.db2.gz PYCJJRLHGZUBFY-UHFFFAOYSA-N 1 2 275.352 1.423 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccn(C(CC)CC)n1 ZINC001038773868 710181885 /nfs/dbraw/zinc/18/18/85/710181885.db2.gz WSGFYUXSPAQIQW-AWEZNQCLSA-N 1 2 288.395 1.682 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn(C(CC)CC)n1 ZINC001038773868 710181889 /nfs/dbraw/zinc/18/18/89/710181889.db2.gz WSGFYUXSPAQIQW-AWEZNQCLSA-N 1 2 288.395 1.682 20 30 CDEDLO C#CC1(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CCCC1 ZINC000882534059 710216824 /nfs/dbraw/zinc/21/68/24/710216824.db2.gz XFRGUYTXMLIZSA-UHFFFAOYSA-N 1 2 280.331 1.943 20 30 CDEDLO C=CCC[C@H]([NH2+]Cc1nnc2c(=O)[nH]ccn12)c1ccco1 ZINC000886704272 710238250 /nfs/dbraw/zinc/23/82/50/710238250.db2.gz AGQMXZDCWJGDCU-NSHDSACASA-N 1 2 299.334 1.808 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1csc(Cl)c1 ZINC001038778191 710244751 /nfs/dbraw/zinc/24/47/51/710244751.db2.gz WGPVMYDXPTZPJQ-SNVBAGLBSA-N 1 2 268.769 1.839 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1csc(Cl)c1 ZINC001038778191 710244754 /nfs/dbraw/zinc/24/47/54/710244754.db2.gz WGPVMYDXPTZPJQ-SNVBAGLBSA-N 1 2 268.769 1.839 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC12CC2 ZINC001032472565 710248930 /nfs/dbraw/zinc/24/89/30/710248930.db2.gz YBZJXVBLNPDPKG-SOUVJXGZSA-N 1 2 272.392 1.875 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC12CC2 ZINC001032472565 710248932 /nfs/dbraw/zinc/24/89/32/710248932.db2.gz YBZJXVBLNPDPKG-SOUVJXGZSA-N 1 2 272.392 1.875 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(CC)n2)C1 ZINC001035398668 710281217 /nfs/dbraw/zinc/28/12/17/710281217.db2.gz XGQUSDWUCOVSRB-AWEZNQCLSA-N 1 2 289.379 1.261 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cccc(CC)n2)C1 ZINC001035398668 710281222 /nfs/dbraw/zinc/28/12/22/710281222.db2.gz XGQUSDWUCOVSRB-AWEZNQCLSA-N 1 2 289.379 1.261 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(COC)c(F)c2)C1 ZINC001031309547 710290990 /nfs/dbraw/zinc/29/09/90/710290990.db2.gz SYPXHYBINDRSNO-UHFFFAOYSA-N 1 2 292.354 1.962 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@]23CCO[C@H]2CCCC3)C1 ZINC001030661861 710314147 /nfs/dbraw/zinc/31/41/47/710314147.db2.gz MLIYOWSJNNTJNM-GOEBONIOSA-N 1 2 278.396 1.712 20 30 CDEDLO C=CC[N@H+]1CCCN(C(=O)c2snnc2C)CC1 ZINC000072252544 710323099 /nfs/dbraw/zinc/32/30/99/710323099.db2.gz ISGHTIUDQXTCIY-UHFFFAOYSA-N 1 2 266.370 1.180 20 30 CDEDLO C=CC[N@@H+]1CCCN(C(=O)c2snnc2C)CC1 ZINC000072252544 710323102 /nfs/dbraw/zinc/32/31/02/710323102.db2.gz ISGHTIUDQXTCIY-UHFFFAOYSA-N 1 2 266.370 1.180 20 30 CDEDLO N#Cc1ccccc1/C=C/C(=O)NCCCn1cc[nH+]c1 ZINC000192664225 710324944 /nfs/dbraw/zinc/32/49/44/710324944.db2.gz DFCBXSUWTRXQFD-VOTSOKGWSA-N 1 2 280.331 1.974 20 30 CDEDLO CC(C)(C)n1nnc(C=NNc2cc[nH+]c3ccccc23)n1 ZINC000853304397 710343759 /nfs/dbraw/zinc/34/37/59/710343759.db2.gz LKWRPVRGLXDLSK-UHFFFAOYSA-N 1 2 295.350 1.844 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1CCC(C(F)F)CC1 ZINC001038969507 710346520 /nfs/dbraw/zinc/34/65/20/710346520.db2.gz MQFKMKPMWGMPQE-WXRRBKDZSA-N 1 2 284.350 1.882 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1CCC(C(F)F)CC1 ZINC001038969507 710346522 /nfs/dbraw/zinc/34/65/22/710346522.db2.gz MQFKMKPMWGMPQE-WXRRBKDZSA-N 1 2 284.350 1.882 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1(CC)CCC1 ZINC000884133540 710348153 /nfs/dbraw/zinc/34/81/53/710348153.db2.gz BTBMDPPDVRMGTH-NSHDSACASA-N 1 2 268.357 1.130 20 30 CDEDLO C=C(Cl)CN1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009711038 710361468 /nfs/dbraw/zinc/36/14/68/710361468.db2.gz VJHHLONIHZKTFF-LBPRGKRZSA-N 1 2 282.775 1.216 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1C=CCC1)CO2 ZINC001053734036 710372404 /nfs/dbraw/zinc/37/24/04/710372404.db2.gz ILKJZZVAYCYMJA-GJZGRUSLSA-N 1 2 288.391 1.326 20 30 CDEDLO Cc1nc(NCC[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001066286385 710376556 /nfs/dbraw/zinc/37/65/56/710376556.db2.gz PBJLGMNVHBOWES-DGCLKSJQSA-N 1 2 287.367 1.595 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc3onc(C)c3c2)C1 ZINC001043502913 710385035 /nfs/dbraw/zinc/38/50/35/710385035.db2.gz JBNKYUSNHZXPFX-UHFFFAOYSA-N 1 2 298.346 1.311 20 30 CDEDLO C=C(CC)CNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000922779570 710385964 /nfs/dbraw/zinc/38/59/64/710385964.db2.gz WTZDGAQYNXOUJE-CYBMUJFWSA-N 1 2 269.389 1.363 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1coc(C)n1 ZINC001027842195 710387831 /nfs/dbraw/zinc/38/78/31/710387831.db2.gz DBGXWJBEFNIKSS-LLVKDONJSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1coc(C)n1 ZINC001027842195 710387833 /nfs/dbraw/zinc/38/78/33/710387833.db2.gz DBGXWJBEFNIKSS-LLVKDONJSA-N 1 2 283.759 1.930 20 30 CDEDLO Cc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC000932164284 710398854 /nfs/dbraw/zinc/39/88/54/710398854.db2.gz YYCDSDPBXOOHKT-CABCVRRESA-N 1 2 274.364 1.970 20 30 CDEDLO Cc1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC000932164284 710398857 /nfs/dbraw/zinc/39/88/57/710398857.db2.gz YYCDSDPBXOOHKT-CABCVRRESA-N 1 2 274.364 1.970 20 30 CDEDLO C#CC[C@H]([NH2+][C@H](C)CC1CCOCC1)C(=O)OC ZINC000839169489 710401803 /nfs/dbraw/zinc/40/18/03/710401803.db2.gz SJPJDAPPFBPEPO-YPMHNXCESA-N 1 2 253.342 1.346 20 30 CDEDLO CCCNc1cc(N2CCN(CCC#N)CC2)nc[nH+]1 ZINC000866218156 710411081 /nfs/dbraw/zinc/41/10/81/710411081.db2.gz YDRGIEFALFGIPQ-UHFFFAOYSA-N 1 2 274.372 1.334 20 30 CDEDLO C=C(Br)C[NH2+]Cc1cc2c(cn1)OCCO2 ZINC000877020562 710449537 /nfs/dbraw/zinc/44/95/37/710449537.db2.gz XXSZLNXXTZQWDA-UHFFFAOYSA-N 1 2 285.141 1.851 20 30 CDEDLO CC(C)N1C(=O)CN(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853525146 710458587 /nfs/dbraw/zinc/45/85/87/710458587.db2.gz TWFPVSXTXLQNCP-LBPRGKRZSA-N 1 2 278.356 1.242 20 30 CDEDLO CC(C)N1C(=O)CN(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853525146 710458600 /nfs/dbraw/zinc/45/86/00/710458600.db2.gz TWFPVSXTXLQNCP-LBPRGKRZSA-N 1 2 278.356 1.242 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCC[C@@H](OC)C2)C1 ZINC001030869575 710479863 /nfs/dbraw/zinc/47/98/63/710479863.db2.gz SFCUXDBWXJLGHE-TZMCWYRMSA-N 1 2 266.385 1.568 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)[C@H](O)c2ccc(C)cc2)nn1 ZINC000849149825 710491379 /nfs/dbraw/zinc/49/13/79/710491379.db2.gz BFLQQVLJAJJTPB-YOEHRIQHSA-N 1 2 298.390 1.994 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2c(n1)CCCC2 ZINC001032431729 710496094 /nfs/dbraw/zinc/49/60/94/710496094.db2.gz MNEXBDDQIQZEPN-KBPBESRZSA-N 1 2 298.390 1.141 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2c(n1)CCCC2 ZINC001032431729 710496100 /nfs/dbraw/zinc/49/61/00/710496100.db2.gz MNEXBDDQIQZEPN-KBPBESRZSA-N 1 2 298.390 1.141 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c2)C1 ZINC001014510061 710517704 /nfs/dbraw/zinc/51/77/04/710517704.db2.gz TZNVSSFUWAZDAA-LLVKDONJSA-N 1 2 253.733 1.571 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc[nH]c2)C1 ZINC001014510061 710517709 /nfs/dbraw/zinc/51/77/09/710517709.db2.gz TZNVSSFUWAZDAA-LLVKDONJSA-N 1 2 253.733 1.571 20 30 CDEDLO CC#CC[N@@H+]1C[C@H](NC(=O)c2ccns2)CC[C@H]1C ZINC001071547122 710533859 /nfs/dbraw/zinc/53/38/59/710533859.db2.gz RQUADVXBFNOGOM-VXGBXAGGSA-N 1 2 277.393 1.749 20 30 CDEDLO CC#CC[N@H+]1C[C@H](NC(=O)c2ccns2)CC[C@H]1C ZINC001071547122 710533870 /nfs/dbraw/zinc/53/38/70/710533870.db2.gz RQUADVXBFNOGOM-VXGBXAGGSA-N 1 2 277.393 1.749 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)C1 ZINC001031483394 710538052 /nfs/dbraw/zinc/53/80/52/710538052.db2.gz BNAVNRVZYTUGQH-MLGOLLRUSA-N 1 2 284.359 1.375 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001050812369 710544220 /nfs/dbraw/zinc/54/42/20/710544220.db2.gz JBRSSWRMOSUSQW-GJZGRUSLSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001050812369 710544224 /nfs/dbraw/zinc/54/42/24/710544224.db2.gz JBRSSWRMOSUSQW-GJZGRUSLSA-N 1 2 278.396 1.736 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C/C3CC3)C[C@H]21 ZINC001074200883 710555685 /nfs/dbraw/zinc/55/56/85/710555685.db2.gz BLVCUCPJIVNBRA-DOOVEFGSSA-N 1 2 290.407 1.830 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C/C3CC3)C[C@H]21 ZINC001074200883 710555687 /nfs/dbraw/zinc/55/56/87/710555687.db2.gz BLVCUCPJIVNBRA-DOOVEFGSSA-N 1 2 290.407 1.830 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1C1CCC1 ZINC001038431833 710565525 /nfs/dbraw/zinc/56/55/25/710565525.db2.gz MBSMBSGULROKOJ-ZDUSSCGKSA-N 1 2 286.379 1.125 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1C1CCC1 ZINC001038431833 710565530 /nfs/dbraw/zinc/56/55/30/710565530.db2.gz MBSMBSGULROKOJ-ZDUSSCGKSA-N 1 2 286.379 1.125 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC001038730212 710581800 /nfs/dbraw/zinc/58/18/00/710581800.db2.gz AQMPBRGTGUPIEY-GFCCVEGCSA-N 1 2 298.346 1.497 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC001038730212 710581804 /nfs/dbraw/zinc/58/18/04/710581804.db2.gz AQMPBRGTGUPIEY-GFCCVEGCSA-N 1 2 298.346 1.497 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c2c1CCC2 ZINC001017701326 710585411 /nfs/dbraw/zinc/58/54/11/710585411.db2.gz MBJRWIKYAFYCQY-TXEJJXNPSA-N 1 2 286.379 1.373 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c2c1CCC2 ZINC001017701326 710585414 /nfs/dbraw/zinc/58/54/14/710585414.db2.gz MBJRWIKYAFYCQY-TXEJJXNPSA-N 1 2 286.379 1.373 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2csc(Cl)n2)C1 ZINC001031207123 710611450 /nfs/dbraw/zinc/61/14/50/710611450.db2.gz JHLVHCTXBMIMDZ-UHFFFAOYSA-N 1 2 271.773 1.787 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(C)=O)C1 ZINC001032844966 710650963 /nfs/dbraw/zinc/65/09/63/710650963.db2.gz IHDVIKHIPCKXAD-SNVBAGLBSA-N 1 2 261.163 1.448 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(C)=O)C1 ZINC001032844966 710650974 /nfs/dbraw/zinc/65/09/74/710650974.db2.gz IHDVIKHIPCKXAD-SNVBAGLBSA-N 1 2 261.163 1.448 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2c[nH]cc2-c2cnn(C)c2)C1 ZINC001042713552 710669320 /nfs/dbraw/zinc/66/93/20/710669320.db2.gz BVAJWVPMYMYKLB-UHFFFAOYSA-N 1 2 299.378 1.357 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)ccnc1OCC ZINC001038549037 710696357 /nfs/dbraw/zinc/69/63/57/710696357.db2.gz FFJBBZKLHIREDL-ZDUSSCGKSA-N 1 2 287.363 1.226 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)ccnc1OCC ZINC001038549037 710696364 /nfs/dbraw/zinc/69/63/64/710696364.db2.gz FFJBBZKLHIREDL-ZDUSSCGKSA-N 1 2 287.363 1.226 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1COC ZINC001038457855 710713872 /nfs/dbraw/zinc/71/38/72/710713872.db2.gz GPJFSUNRFBLUSV-OAHLLOKOSA-N 1 2 286.375 1.660 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1COC ZINC001038457855 710713876 /nfs/dbraw/zinc/71/38/76/710713876.db2.gz GPJFSUNRFBLUSV-OAHLLOKOSA-N 1 2 286.375 1.660 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccnc(C3CC3)n2)C1 ZINC001043997185 710721582 /nfs/dbraw/zinc/72/15/82/710721582.db2.gz AJRZRZAVEKJEDS-UHFFFAOYSA-N 1 2 284.363 1.134 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1CCC ZINC001032579176 710722928 /nfs/dbraw/zinc/72/29/28/710722928.db2.gz XAGNULQSHSOKDH-STQMWFEESA-N 1 2 271.364 1.499 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1CCC ZINC001032579176 710722931 /nfs/dbraw/zinc/72/29/31/710722931.db2.gz XAGNULQSHSOKDH-STQMWFEESA-N 1 2 271.364 1.499 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001035488992 710794340 /nfs/dbraw/zinc/79/43/40/710794340.db2.gz QFCXDUUMFYBERE-OLZOCXBDSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001035488992 710794342 /nfs/dbraw/zinc/79/43/42/710794342.db2.gz QFCXDUUMFYBERE-OLZOCXBDSA-N 1 2 266.385 1.426 20 30 CDEDLO C=C[C@H](C)ONC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000845630615 710800040 /nfs/dbraw/zinc/80/00/40/710800040.db2.gz SMUJHWLNMUBNAM-RWMBFGLXSA-N 1 2 278.356 1.982 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@H+](C)CCS(C)(=O)=O ZINC000165495370 710817560 /nfs/dbraw/zinc/81/75/60/710817560.db2.gz QIJQUTAAYUOMCJ-UHFFFAOYSA-N 1 2 266.366 1.343 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@@H+](C)CCS(C)(=O)=O ZINC000165495370 710817563 /nfs/dbraw/zinc/81/75/63/710817563.db2.gz QIJQUTAAYUOMCJ-UHFFFAOYSA-N 1 2 266.366 1.343 20 30 CDEDLO N#CCc1cccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000882471723 710857697 /nfs/dbraw/zinc/85/76/97/710857697.db2.gz BEJDLUXHIWJRRI-LLVKDONJSA-N 1 2 281.319 1.545 20 30 CDEDLO N#CC1(C[C@@H](O)C[N@@H+]2Cc3ccccc3NC(=O)C2)CCC1 ZINC000886270489 710863019 /nfs/dbraw/zinc/86/30/19/710863019.db2.gz FEGFWQQPONZVAT-CQSZACIVSA-N 1 2 299.374 1.886 20 30 CDEDLO N#CC1(C[C@@H](O)C[N@H+]2Cc3ccccc3NC(=O)C2)CCC1 ZINC000886270489 710863021 /nfs/dbraw/zinc/86/30/21/710863021.db2.gz FEGFWQQPONZVAT-CQSZACIVSA-N 1 2 299.374 1.886 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)nc1C(C)C ZINC001032779520 711379789 /nfs/dbraw/zinc/37/97/89/711379789.db2.gz CWHMUECHTOAPHZ-STQMWFEESA-N 1 2 286.379 1.075 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)nc1C(C)C ZINC001032779520 711379793 /nfs/dbraw/zinc/37/97/93/711379793.db2.gz CWHMUECHTOAPHZ-STQMWFEESA-N 1 2 286.379 1.075 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC001014365288 711431362 /nfs/dbraw/zinc/43/13/62/711431362.db2.gz ORYHQMFIQKBLMB-BDAKNGLRSA-N 1 2 264.703 1.585 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC001014365288 711431367 /nfs/dbraw/zinc/43/13/67/711431367.db2.gz ORYHQMFIQKBLMB-BDAKNGLRSA-N 1 2 264.703 1.585 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CCCO1)CCO2 ZINC001053171053 711447323 /nfs/dbraw/zinc/44/73/23/711447323.db2.gz RBDXXGVQIBDKGD-AWEZNQCLSA-N 1 2 294.395 1.045 20 30 CDEDLO Cc1noc([C@@H]2CCC[N@H+]2CCO[C@H](C)C#N)n1 ZINC000796697884 711465367 /nfs/dbraw/zinc/46/53/67/711465367.db2.gz ZDJMOKLUPPLVBU-KOLCDFICSA-N 1 2 250.302 1.444 20 30 CDEDLO Cc1noc([C@@H]2CCC[N@@H+]2CCO[C@H](C)C#N)n1 ZINC000796697884 711465369 /nfs/dbraw/zinc/46/53/69/711465369.db2.gz ZDJMOKLUPPLVBU-KOLCDFICSA-N 1 2 250.302 1.444 20 30 CDEDLO CC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1NCC#N ZINC001037965106 711481562 /nfs/dbraw/zinc/48/15/62/711481562.db2.gz CGBGNQZJLSMKDV-CHWSQXEVSA-N 1 2 289.383 1.001 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n[nH]1 ZINC001017387585 711486357 /nfs/dbraw/zinc/48/63/57/711486357.db2.gz RYGYPISNIFEXFX-BETUJISGSA-N 1 2 272.352 1.030 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n[nH]1 ZINC001017387585 711486360 /nfs/dbraw/zinc/48/63/60/711486360.db2.gz RYGYPISNIFEXFX-BETUJISGSA-N 1 2 272.352 1.030 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cnc(C3CC3)s2)C1 ZINC001016039040 711555635 /nfs/dbraw/zinc/55/56/35/711555635.db2.gz ATALXNQGYOXDQJ-LLVKDONJSA-N 1 2 275.377 1.458 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnc(C3CC3)s2)C1 ZINC001016039040 711555641 /nfs/dbraw/zinc/55/56/41/711555641.db2.gz ATALXNQGYOXDQJ-LLVKDONJSA-N 1 2 275.377 1.458 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccnc3)[C@@H]2C1 ZINC001075492301 711559059 /nfs/dbraw/zinc/55/90/59/711559059.db2.gz LVOLXWPGGSLVHD-UONOGXRCSA-N 1 2 291.782 1.980 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccnc3)[C@@H]2C1 ZINC001075492301 711559061 /nfs/dbraw/zinc/55/90/61/711559061.db2.gz LVOLXWPGGSLVHD-UONOGXRCSA-N 1 2 291.782 1.980 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001015789423 711567368 /nfs/dbraw/zinc/56/73/68/711567368.db2.gz XVUSBKQMQLFHIK-JTQLQIEISA-N 1 2 268.769 1.839 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001015789423 711567372 /nfs/dbraw/zinc/56/73/72/711567372.db2.gz XVUSBKQMQLFHIK-JTQLQIEISA-N 1 2 268.769 1.839 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)OCC1CC1 ZINC000839840945 711572277 /nfs/dbraw/zinc/57/22/77/711572277.db2.gz XGCZIRNCJVLSQL-AWEZNQCLSA-N 1 2 278.396 1.405 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)OCC1CC1 ZINC000839840945 711572279 /nfs/dbraw/zinc/57/22/79/711572279.db2.gz XGCZIRNCJVLSQL-AWEZNQCLSA-N 1 2 278.396 1.405 20 30 CDEDLO C=CCN(C(=O)N[C@H](C)Cn1cc[nH+]c1)C(C)C ZINC000918070854 711579402 /nfs/dbraw/zinc/57/94/02/711579402.db2.gz CRPKORVNRMOKKH-GFCCVEGCSA-N 1 2 250.346 1.878 20 30 CDEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)cs1 ZINC000971212413 711589811 /nfs/dbraw/zinc/58/98/11/711589811.db2.gz YOUHJKDJEKLUNY-GXFFZTMASA-N 1 2 292.408 1.644 20 30 CDEDLO Cc1nc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)cs1 ZINC000971212413 711589815 /nfs/dbraw/zinc/58/98/15/711589815.db2.gz YOUHJKDJEKLUNY-GXFFZTMASA-N 1 2 292.408 1.644 20 30 CDEDLO CC(C)n1cnnc1C[N@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886215980 711591557 /nfs/dbraw/zinc/59/15/57/711591557.db2.gz UKFINVLBUCBDIN-ZDUSSCGKSA-N 1 2 291.399 1.736 20 30 CDEDLO CC(C)n1cnnc1C[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886215980 711591559 /nfs/dbraw/zinc/59/15/59/711591559.db2.gz UKFINVLBUCBDIN-ZDUSSCGKSA-N 1 2 291.399 1.736 20 30 CDEDLO CSCc1n[nH]c(C[NH2+][C@H]2CC[C@H](C#N)C2)n1 ZINC000886757891 711593472 /nfs/dbraw/zinc/59/34/72/711593472.db2.gz ULDHVEOVLVRYMY-IUCAKERBSA-N 1 2 251.359 1.450 20 30 CDEDLO CSCc1nnc(C[NH2+][C@H]2CC[C@H](C#N)C2)[nH]1 ZINC000886757891 711593475 /nfs/dbraw/zinc/59/34/75/711593475.db2.gz ULDHVEOVLVRYMY-IUCAKERBSA-N 1 2 251.359 1.450 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)OCCN2C ZINC000819989102 711600104 /nfs/dbraw/zinc/60/01/04/711600104.db2.gz MWIYQDPOYSRGOJ-HNNXBMFYSA-N 1 2 299.374 1.551 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)OCCN2C ZINC000819989102 711600107 /nfs/dbraw/zinc/60/01/07/711600107.db2.gz MWIYQDPOYSRGOJ-HNNXBMFYSA-N 1 2 299.374 1.551 20 30 CDEDLO C=CCC1(O)CCN(C(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC000884407333 711600650 /nfs/dbraw/zinc/60/06/50/711600650.db2.gz ZZQRMTITCWRPIW-UHFFFAOYSA-N 1 2 292.383 1.075 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C)s1 ZINC001032308970 711606857 /nfs/dbraw/zinc/60/68/57/711606857.db2.gz MNNHEXSDIUXVPO-QWRGUYRKSA-N 1 2 263.366 1.536 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C)s1 ZINC001032308970 711606859 /nfs/dbraw/zinc/60/68/59/711606859.db2.gz MNNHEXSDIUXVPO-QWRGUYRKSA-N 1 2 263.366 1.536 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cncs2)C1 ZINC001035301611 711621170 /nfs/dbraw/zinc/62/11/70/711621170.db2.gz RSFYVQPQTVTKSQ-LLVKDONJSA-N 1 2 281.381 1.150 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cncs2)C1 ZINC001035301611 711621173 /nfs/dbraw/zinc/62/11/73/711621173.db2.gz RSFYVQPQTVTKSQ-LLVKDONJSA-N 1 2 281.381 1.150 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001043589813 711635747 /nfs/dbraw/zinc/63/57/47/711635747.db2.gz GARBEFUVGIOVJU-CYBMUJFWSA-N 1 2 298.386 1.962 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(=C)Cl ZINC001028142878 711646030 /nfs/dbraw/zinc/64/60/30/711646030.db2.gz SFOMZMFFSHMUNO-MCIONIFRSA-N 1 2 298.814 1.911 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(=C)Cl ZINC001028142878 711646033 /nfs/dbraw/zinc/64/60/33/711646033.db2.gz SFOMZMFFSHMUNO-MCIONIFRSA-N 1 2 298.814 1.911 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[C@@H]1C)O2 ZINC001053644946 711649870 /nfs/dbraw/zinc/64/98/70/711649870.db2.gz PLNWQRBDBWTQIO-IHRRRGAJSA-N 1 2 278.396 1.568 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000846988943 711651591 /nfs/dbraw/zinc/65/15/91/711651591.db2.gz WYFNSLZMIKPNCL-AWEZNQCLSA-N 1 2 288.395 1.651 20 30 CDEDLO C#C[C@@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)[C@H]1CCCO1 ZINC000847758913 711659216 /nfs/dbraw/zinc/65/92/16/711659216.db2.gz PQVBYVRFBYQDQY-ZIAGYGMSSA-N 1 2 283.331 1.553 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cncn1C ZINC001028003863 711665704 /nfs/dbraw/zinc/66/57/04/711665704.db2.gz MJOXTGVSZGKVED-LLVKDONJSA-N 1 2 282.775 1.367 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cncn1C ZINC001028003863 711665706 /nfs/dbraw/zinc/66/57/06/711665706.db2.gz MJOXTGVSZGKVED-LLVKDONJSA-N 1 2 282.775 1.367 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2)C1 ZINC000932161468 711667824 /nfs/dbraw/zinc/66/78/24/711667824.db2.gz MQFPWDWMMUMGQG-KGLIPLIRSA-N 1 2 260.337 1.662 20 30 CDEDLO N#C[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2)C1 ZINC000932161468 711667827 /nfs/dbraw/zinc/66/78/27/711667827.db2.gz MQFPWDWMMUMGQG-KGLIPLIRSA-N 1 2 260.337 1.662 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1snnc1C ZINC001027749325 711685526 /nfs/dbraw/zinc/68/55/26/711685526.db2.gz UNYPBVBVECJCLZ-NSHDSACASA-N 1 2 278.381 1.064 20 30 CDEDLO CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1snnc1C ZINC001027749325 711685527 /nfs/dbraw/zinc/68/55/27/711685527.db2.gz UNYPBVBVECJCLZ-NSHDSACASA-N 1 2 278.381 1.064 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000884137072 711687677 /nfs/dbraw/zinc/68/76/77/711687677.db2.gz CTPKLVIUNJKKGX-FVCCEPFGSA-N 1 2 282.384 1.374 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CCCC1 ZINC001017312290 711699415 /nfs/dbraw/zinc/69/94/15/711699415.db2.gz KWRRBBCYHHZRHK-GASCZTMLSA-N 1 2 260.381 1.875 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CCCC1 ZINC001017312290 711699416 /nfs/dbraw/zinc/69/94/16/711699416.db2.gz KWRRBBCYHHZRHK-GASCZTMLSA-N 1 2 260.381 1.875 20 30 CDEDLO C=CCOCCCC(=O)OCc1cc[nH+]c(N)c1 ZINC000791971335 711701938 /nfs/dbraw/zinc/70/19/38/711701938.db2.gz PLQAKQHUOYSHOF-UHFFFAOYSA-N 1 2 250.298 1.690 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2C[C@@H]2C2CCCC2)C1 ZINC001031173236 711711806 /nfs/dbraw/zinc/71/18/06/711711806.db2.gz HVYRZWFIMRWOSQ-CABCVRRESA-N 1 2 260.381 1.636 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2scnc2COC)C1 ZINC001015812717 711712372 /nfs/dbraw/zinc/71/23/72/711712372.db2.gz APDALFGLMQRFJQ-NSHDSACASA-N 1 2 293.392 1.117 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2scnc2COC)C1 ZINC001015812717 711712374 /nfs/dbraw/zinc/71/23/74/711712374.db2.gz APDALFGLMQRFJQ-NSHDSACASA-N 1 2 293.392 1.117 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2OCC)C1 ZINC001031565351 711719475 /nfs/dbraw/zinc/71/94/75/711719475.db2.gz LLMKQCYRIUMAGI-VXGBXAGGSA-N 1 2 272.776 1.212 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)noc1C ZINC001017345254 711723267 /nfs/dbraw/zinc/72/32/67/711723267.db2.gz UGTDKCOJZRDAHL-BETUJISGSA-N 1 2 275.352 1.766 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)noc1C ZINC001017345254 711723270 /nfs/dbraw/zinc/72/32/70/711723270.db2.gz UGTDKCOJZRDAHL-BETUJISGSA-N 1 2 275.352 1.766 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1[nH]ccc1C)CO2 ZINC001053791224 711723541 /nfs/dbraw/zinc/72/35/41/711723541.db2.gz HGTNDOAXOGLWOY-ZDUSSCGKSA-N 1 2 289.379 1.472 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C=C1CCC1)CO2 ZINC001053774285 711728529 /nfs/dbraw/zinc/72/85/29/711728529.db2.gz WSJIIEFBAZVAHB-AWEZNQCLSA-N 1 2 276.380 1.632 20 30 CDEDLO NC(CCO)=[NH+]OCc1ncc(-c2ccc(F)cc2)o1 ZINC000121391376 711735664 /nfs/dbraw/zinc/73/56/64/711735664.db2.gz METVHVIQHKKEDC-UHFFFAOYSA-N 1 2 279.271 1.652 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001034087055 711742651 /nfs/dbraw/zinc/74/26/51/711742651.db2.gz GYRRSVSEPSBBAR-QWHCGFSZSA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001034087055 711742653 /nfs/dbraw/zinc/74/26/53/711742653.db2.gz GYRRSVSEPSBBAR-QWHCGFSZSA-N 1 2 286.803 1.889 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)nn(C)c1Cl ZINC001038568883 711742981 /nfs/dbraw/zinc/74/29/81/711742981.db2.gz ZINHSCCBXFQSBA-LLVKDONJSA-N 1 2 294.786 1.209 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)nn(C)c1Cl ZINC001038568883 711742985 /nfs/dbraw/zinc/74/29/85/711742985.db2.gz ZINHSCCBXFQSBA-LLVKDONJSA-N 1 2 294.786 1.209 20 30 CDEDLO C#CCC[N@H+]1CCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001072757384 711761464 /nfs/dbraw/zinc/76/14/64/711761464.db2.gz GJAQDJVHSVXYJM-SNVBAGLBSA-N 1 2 292.276 1.444 20 30 CDEDLO C#CCC[N@@H+]1CCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001072757384 711761465 /nfs/dbraw/zinc/76/14/65/711761465.db2.gz GJAQDJVHSVXYJM-SNVBAGLBSA-N 1 2 292.276 1.444 20 30 CDEDLO C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001072757384 711761466 /nfs/dbraw/zinc/76/14/66/711761466.db2.gz GJAQDJVHSVXYJM-SNVBAGLBSA-N 1 2 292.276 1.444 20 30 CDEDLO C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001072757384 711761467 /nfs/dbraw/zinc/76/14/67/711761467.db2.gz GJAQDJVHSVXYJM-SNVBAGLBSA-N 1 2 292.276 1.444 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)noc1CC ZINC001039010768 711761705 /nfs/dbraw/zinc/76/17/05/711761705.db2.gz UHPRJZJIDRWGOE-LLVKDONJSA-N 1 2 263.341 1.536 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)noc1CC ZINC001039010768 711761706 /nfs/dbraw/zinc/76/17/06/711761706.db2.gz UHPRJZJIDRWGOE-LLVKDONJSA-N 1 2 263.341 1.536 20 30 CDEDLO C=CCOc1cccnc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC=C ZINC001032723964 711763233 /nfs/dbraw/zinc/76/32/33/711763233.db2.gz ADOFMUNGMYRKLB-KBPBESRZSA-N 1 2 299.374 1.731 20 30 CDEDLO C=CCOc1cccnc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC=C ZINC001032723964 711763234 /nfs/dbraw/zinc/76/32/34/711763234.db2.gz ADOFMUNGMYRKLB-KBPBESRZSA-N 1 2 299.374 1.731 20 30 CDEDLO N#CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC000991122607 711764932 /nfs/dbraw/zinc/76/49/32/711764932.db2.gz WHQOUVQEQQLFDR-ZNEHSRBWSA-N 1 2 299.378 1.150 20 30 CDEDLO N#CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@@H]12 ZINC000991122607 711764933 /nfs/dbraw/zinc/76/49/33/711764933.db2.gz WHQOUVQEQQLFDR-ZNEHSRBWSA-N 1 2 299.378 1.150 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)C1CCC1)O2 ZINC001053558009 711770654 /nfs/dbraw/zinc/77/06/54/711770654.db2.gz CGTNQNHLEIQHJR-CQSZACIVSA-N 1 2 278.396 1.712 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(CC)n[nH]2)C1 ZINC001046153483 711790707 /nfs/dbraw/zinc/79/07/07/711790707.db2.gz UCOGNNMZIVBSDG-AWEZNQCLSA-N 1 2 296.802 1.919 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(CC)n[nH]2)C1 ZINC001046153483 711790708 /nfs/dbraw/zinc/79/07/08/711790708.db2.gz UCOGNNMZIVBSDG-AWEZNQCLSA-N 1 2 296.802 1.919 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2ccc3oc(=O)[nH]c3c2)nn1 ZINC000873172938 711799575 /nfs/dbraw/zinc/79/95/75/711799575.db2.gz KMGTVWZEGCDPHJ-UHFFFAOYSA-N 1 2 299.334 1.991 20 30 CDEDLO CC(C)[C@H](C#N)N1CC[NH+](C[C@H](O)c2ccccn2)CC1 ZINC000851870164 711803894 /nfs/dbraw/zinc/80/38/94/711803894.db2.gz BVAFVYVXNBKNLS-HOTGVXAUSA-N 1 2 288.395 1.281 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCCc2scnc21 ZINC000858404984 711805922 /nfs/dbraw/zinc/80/59/22/711805922.db2.gz ZFJITWJKOHOJMA-SNVBAGLBSA-N 1 2 286.422 1.711 20 30 CDEDLO N#CC[N@@H+](CCCNC(=O)C(F)(F)F)C1CCCC1 ZINC000091580243 711817092 /nfs/dbraw/zinc/81/70/92/711817092.db2.gz RGKXDBXLIFQXJZ-UHFFFAOYSA-N 1 2 277.290 1.823 20 30 CDEDLO N#CC[N@H+](CCCNC(=O)C(F)(F)F)C1CCCC1 ZINC000091580243 711817093 /nfs/dbraw/zinc/81/70/93/711817093.db2.gz RGKXDBXLIFQXJZ-UHFFFAOYSA-N 1 2 277.290 1.823 20 30 CDEDLO C[N@H+](CCCOc1ccc(C#N)cc1)Cc1n[nH]c(=O)o1 ZINC000852193146 711817732 /nfs/dbraw/zinc/81/77/32/711817732.db2.gz ZPFCXYISOQDEQI-UHFFFAOYSA-N 1 2 288.307 1.548 20 30 CDEDLO C[N@@H+](CCCOc1ccc(C#N)cc1)Cc1n[nH]c(=O)o1 ZINC000852193146 711817733 /nfs/dbraw/zinc/81/77/33/711817733.db2.gz ZPFCXYISOQDEQI-UHFFFAOYSA-N 1 2 288.307 1.548 20 30 CDEDLO C#CCNC(=O)C[N@@H+](C)Cc1ccc(OC)c(F)c1 ZINC000007583469 711834973 /nfs/dbraw/zinc/83/49/73/711834973.db2.gz HESDVRPZVPZNMW-UHFFFAOYSA-N 1 2 264.300 1.016 20 30 CDEDLO C#CCNC(=O)C[N@H+](C)Cc1ccc(OC)c(F)c1 ZINC000007583469 711834974 /nfs/dbraw/zinc/83/49/74/711834974.db2.gz HESDVRPZVPZNMW-UHFFFAOYSA-N 1 2 264.300 1.016 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(F)nc1 ZINC001038110684 711835190 /nfs/dbraw/zinc/83/51/90/711835190.db2.gz OFAMADGFCIUSCC-LBPRGKRZSA-N 1 2 261.300 1.048 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(F)nc1 ZINC001038110684 711835191 /nfs/dbraw/zinc/83/51/91/711835191.db2.gz OFAMADGFCIUSCC-LBPRGKRZSA-N 1 2 261.300 1.048 20 30 CDEDLO C=CC[NH+]1CCN(c2ncc(N)cc2Cl)CC1 ZINC001165031337 721867308 /nfs/dbraw/zinc/86/73/08/721867308.db2.gz DVPUUUPFFULFLN-UHFFFAOYSA-N 1 2 252.749 1.625 20 30 CDEDLO C=CC[NH+]1CCN(c2nccnc2OCC(C)C)CC1 ZINC001165034052 721872578 /nfs/dbraw/zinc/87/25/78/721872578.db2.gz DPMPRUYHPJBCQV-UHFFFAOYSA-N 1 2 276.384 1.819 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001252603054 1164570257 /nfs/dbraw/zinc/57/02/57/1164570257.db2.gz KTYMZHJTIQSQFR-DZGCQCFKSA-N 1 2 262.353 1.782 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001252603054 1164570260 /nfs/dbraw/zinc/57/02/60/1164570260.db2.gz KTYMZHJTIQSQFR-DZGCQCFKSA-N 1 2 262.353 1.782 20 30 CDEDLO CCOC(=O)N1CCC(C)(C[NH+]2CC(O)(CC#N)C2)CC1 ZINC001647359462 1168607959 /nfs/dbraw/zinc/60/79/59/1168607959.db2.gz DLRVYHOMZOIRSZ-UHFFFAOYSA-N 1 2 295.383 1.205 20 30 CDEDLO N#Cc1c(F)cncc1NCC1([NH+]2CCCC2)COC1 ZINC001168451355 913422965 /nfs/dbraw/zinc/42/29/65/913422965.db2.gz KNPGTNINCRTBAT-UHFFFAOYSA-N 1 2 276.315 1.369 20 30 CDEDLO C#CCO[C@H](C)C(=O)N[C@@H](C)CCNc1cc[nH+]c(C)n1 ZINC001106441833 913931494 /nfs/dbraw/zinc/93/14/94/913931494.db2.gz GCEXFWISGPVZEU-NWDGAFQWSA-N 1 2 290.367 1.130 20 30 CDEDLO Cc1cnc([C@H](C)[NH2+]CCNC(=O)c2ccc(C#N)[nH]2)o1 ZINC001125776781 897946041 /nfs/dbraw/zinc/94/60/41/897946041.db2.gz XZGVHFSGHBOBFR-JTQLQIEISA-N 1 2 287.323 1.263 20 30 CDEDLO C=CCOCC(=O)N1CC[C@H]2OCC[N@@H+](CC(=C)C)[C@@H]2C1 ZINC001176949756 914393416 /nfs/dbraw/zinc/39/34/16/914393416.db2.gz SGRYSYXRAGOWPE-HUUCEWRRSA-N 1 2 294.395 1.067 20 30 CDEDLO C=CCOCC(=O)N1CC[C@H]2OCC[N@H+](CC(=C)C)[C@@H]2C1 ZINC001176949756 914393434 /nfs/dbraw/zinc/39/34/34/914393434.db2.gz SGRYSYXRAGOWPE-HUUCEWRRSA-N 1 2 294.395 1.067 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCC=C)C[C@@H]21 ZINC001176954316 914394830 /nfs/dbraw/zinc/39/48/30/914394830.db2.gz ANCDEWHXXVSFJT-GJZGRUSLSA-N 1 2 276.380 1.278 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCC=C)C[C@@H]21 ZINC001176954316 914394835 /nfs/dbraw/zinc/39/48/35/914394835.db2.gz ANCDEWHXXVSFJT-GJZGRUSLSA-N 1 2 276.380 1.278 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCCCC)C[C@H]21 ZINC001176917348 914395661 /nfs/dbraw/zinc/39/56/61/914395661.db2.gz HFLNBEIBWFQWDR-CVEARBPZSA-N 1 2 292.423 1.892 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCCCC)C[C@H]21 ZINC001176917348 914395678 /nfs/dbraw/zinc/39/56/78/914395678.db2.gz HFLNBEIBWFQWDR-CVEARBPZSA-N 1 2 292.423 1.892 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)c1cccc(CC#N)c1 ZINC001188689631 921153127 /nfs/dbraw/zinc/15/31/27/921153127.db2.gz YEHRNSJDAJIIPH-UHFFFAOYSA-N 1 2 268.320 1.459 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cncnc2)[C@H]1CC ZINC001087551357 905626031 /nfs/dbraw/zinc/62/60/31/905626031.db2.gz YMKSHTQZBCPJJP-QWHCGFSZSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cncnc2)[C@H]1CC ZINC001087551357 905626018 /nfs/dbraw/zinc/62/60/18/905626018.db2.gz YMKSHTQZBCPJJP-QWHCGFSZSA-N 1 2 294.786 1.812 20 30 CDEDLO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001075821235 905900856 /nfs/dbraw/zinc/90/08/56/905900856.db2.gz KAWOZOSFVBZVGE-AXFHLTTASA-N 1 2 294.292 1.996 20 30 CDEDLO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001075821235 905900879 /nfs/dbraw/zinc/90/08/79/905900879.db2.gz KAWOZOSFVBZVGE-AXFHLTTASA-N 1 2 294.292 1.996 20 30 CDEDLO C=C(C)C(=O)OCCNc1cc2c(c[nH+]1)C(C)(C)C(=O)N2 ZINC001168071151 906660817 /nfs/dbraw/zinc/66/08/17/906660817.db2.gz PLFRFPSOQMDKQQ-UHFFFAOYSA-N 1 2 289.335 1.843 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1cnsn1 ZINC001128405356 921295778 /nfs/dbraw/zinc/29/57/78/921295778.db2.gz WKBFOQFDCXLIQT-UHFFFAOYSA-N 1 2 254.359 1.100 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+][C@@H](C)c1nc(CC)no1 ZINC001128418360 921299562 /nfs/dbraw/zinc/29/95/62/921299562.db2.gz NXFSWEQVACHQPK-NSHDSACASA-N 1 2 280.372 1.755 20 30 CDEDLO CCCC#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn[nH]c1 ZINC001272108840 908558462 /nfs/dbraw/zinc/55/84/62/908558462.db2.gz ALHACMIKRJDOSA-GASCZTMLSA-N 1 2 286.379 1.388 20 30 CDEDLO CCCC#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn[nH]c1 ZINC001272108840 908558467 /nfs/dbraw/zinc/55/84/67/908558467.db2.gz ALHACMIKRJDOSA-GASCZTMLSA-N 1 2 286.379 1.388 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]2C)[C@H]1C ZINC001088798765 909461458 /nfs/dbraw/zinc/46/14/58/909461458.db2.gz HYUSYQVBCVZHOE-IELRGYKMSA-N 1 2 256.777 1.974 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]2C)[C@H]1C ZINC001088798765 909461461 /nfs/dbraw/zinc/46/14/61/909461461.db2.gz HYUSYQVBCVZHOE-IELRGYKMSA-N 1 2 256.777 1.974 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001094098348 910332853 /nfs/dbraw/zinc/33/28/53/910332853.db2.gz BOJUZQWEQGFHFL-AWEZNQCLSA-N 1 2 262.357 1.915 20 30 CDEDLO N#CCOc1ccc(N[C@@H]2CCC[N@@H+](C3COC3)C2)nc1 ZINC001168370100 910415138 /nfs/dbraw/zinc/41/51/38/910415138.db2.gz VINKTVNUUFJAID-GFCCVEGCSA-N 1 2 288.351 1.259 20 30 CDEDLO N#CCOc1ccc(N[C@@H]2CCC[N@H+](C3COC3)C2)nc1 ZINC001168370100 910415146 /nfs/dbraw/zinc/41/51/46/910415146.db2.gz VINKTVNUUFJAID-GFCCVEGCSA-N 1 2 288.351 1.259 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cncc(C)n2)C1 ZINC001203180705 910831939 /nfs/dbraw/zinc/83/19/39/910831939.db2.gz ZBPMCXJKEKWKOM-CYBMUJFWSA-N 1 2 290.367 1.662 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cncc(C)n2)C1 ZINC001203180705 910831950 /nfs/dbraw/zinc/83/19/50/910831950.db2.gz ZBPMCXJKEKWKOM-CYBMUJFWSA-N 1 2 290.367 1.662 20 30 CDEDLO CCOC(=O)C1(C)CCC(N2CC[NH2+]C[C@H]2C#N)CC1 ZINC001171951444 911018944 /nfs/dbraw/zinc/01/89/44/911018944.db2.gz SCZLZTGZWNOKQY-JVWICGRDSA-N 1 2 279.384 1.296 20 30 CDEDLO N#Cc1cccnc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212664378 911723754 /nfs/dbraw/zinc/72/37/54/911723754.db2.gz KTAIDBPIVOMKMA-UHFFFAOYSA-N 1 2 280.331 1.873 20 30 CDEDLO CCn1nnc2c1CC[N@H+]([C@H](C)CCCC#N)[C@@H]2COC ZINC001172495767 911729258 /nfs/dbraw/zinc/72/92/58/911729258.db2.gz HOYRJXHLYOMSTR-TZMCWYRMSA-N 1 2 291.399 1.926 20 30 CDEDLO CCn1nnc2c1CC[N@@H+]([C@H](C)CCCC#N)[C@@H]2COC ZINC001172495767 911729271 /nfs/dbraw/zinc/72/92/71/911729271.db2.gz HOYRJXHLYOMSTR-TZMCWYRMSA-N 1 2 291.399 1.926 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2OCC[C@H]2C)[C@H]1C ZINC001088865115 912032732 /nfs/dbraw/zinc/03/27/32/912032732.db2.gz XMHFTNUEBGMYCJ-XEZLXBQYSA-N 1 2 286.803 1.743 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2OCC[C@H]2C)[C@H]1C ZINC001088865115 912032749 /nfs/dbraw/zinc/03/27/49/912032749.db2.gz XMHFTNUEBGMYCJ-XEZLXBQYSA-N 1 2 286.803 1.743 20 30 CDEDLO Cc1c[nH]c(CCNC(=O)C#Cc2ccc(F)cc2F)[nH+]1 ZINC001178574017 915527512 /nfs/dbraw/zinc/52/75/12/915527512.db2.gz PEBYQXDFWOWYPJ-UHFFFAOYSA-N 1 2 289.285 1.707 20 30 CDEDLO C=CCC(C)(C)C(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128509905 921792691 /nfs/dbraw/zinc/79/26/91/921792691.db2.gz ULIMJUYMDYIXJN-UHFFFAOYSA-N 1 2 290.411 1.937 20 30 CDEDLO C=CCC(C)(C)C(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128509905 921792699 /nfs/dbraw/zinc/79/26/99/921792699.db2.gz ULIMJUYMDYIXJN-UHFFFAOYSA-N 1 2 290.411 1.937 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001179894917 916032358 /nfs/dbraw/zinc/03/23/58/916032358.db2.gz GFAGOVBTGXWLEF-IUODEOHRSA-N 1 2 269.348 1.588 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001179894917 916032373 /nfs/dbraw/zinc/03/23/73/916032373.db2.gz GFAGOVBTGXWLEF-IUODEOHRSA-N 1 2 269.348 1.588 20 30 CDEDLO C=CCCC(=O)NCC[NH2+]Cc1nc(C(C)C)no1 ZINC001124636500 936326384 /nfs/dbraw/zinc/32/63/84/936326384.db2.gz QNULRPFHBLIONY-UHFFFAOYSA-N 1 2 266.345 1.365 20 30 CDEDLO N#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001097821758 936391109 /nfs/dbraw/zinc/39/11/09/936391109.db2.gz RAHRWNVPDNJFAK-OXHZDVMGSA-N 1 2 299.378 1.075 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001124487893 917397635 /nfs/dbraw/zinc/39/76/35/917397635.db2.gz HZDOZCAKHKASQZ-GHMZBOCLSA-N 1 2 298.412 1.286 20 30 CDEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccn(C)n2)C1=O ZINC001272736599 917762543 /nfs/dbraw/zinc/76/25/43/917762543.db2.gz ZWURALOGKQMUBP-MRXNPFEDSA-N 1 2 288.395 1.563 20 30 CDEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccn(C)n2)C1=O ZINC001272736599 917762555 /nfs/dbraw/zinc/76/25/55/917762555.db2.gz ZWURALOGKQMUBP-MRXNPFEDSA-N 1 2 288.395 1.563 20 30 CDEDLO Cc1nc(NC/C=C\CNC(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001107130540 918162233 /nfs/dbraw/zinc/16/22/33/918162233.db2.gz QADRLSZJQAPCKX-IHWYPQMZSA-N 1 2 296.334 1.383 20 30 CDEDLO N#Cc1ccc(NCC=CCNC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001107539524 918437536 /nfs/dbraw/zinc/43/75/36/918437536.db2.gz NZPGJSBKBCYHBZ-UPHRSURJSA-N 1 2 296.334 1.003 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001107644304 918544414 /nfs/dbraw/zinc/54/44/14/918544414.db2.gz WOGPOVULYCFDEC-NEPJUHHUSA-N 1 2 292.383 1.683 20 30 CDEDLO Cc1c[nH]c(CCNC(=O)[C@@H](C#N)Cc2ccc(O)cc2)[nH+]1 ZINC001183615578 918592432 /nfs/dbraw/zinc/59/24/32/918592432.db2.gz FMCIPVCXLDAWLP-CYBMUJFWSA-N 1 2 298.346 1.465 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2C[C@H](F)[C@@H](OC)C2)cc1OC ZINC001138343307 936522874 /nfs/dbraw/zinc/52/28/74/936522874.db2.gz JHZJKIIGAVTNFH-BBRMVZONSA-N 1 2 293.338 1.876 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2C[C@H](F)[C@@H](OC)C2)cc1OC ZINC001138343307 936522876 /nfs/dbraw/zinc/52/28/76/936522876.db2.gz JHZJKIIGAVTNFH-BBRMVZONSA-N 1 2 293.338 1.876 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(F)nc2)C1 ZINC001107821602 918832565 /nfs/dbraw/zinc/83/25/65/918832565.db2.gz RMERKRKTPTWPFM-OAHLLOKOSA-N 1 2 293.342 1.227 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(F)nc2)C1 ZINC001107821602 918832574 /nfs/dbraw/zinc/83/25/74/918832574.db2.gz RMERKRKTPTWPFM-OAHLLOKOSA-N 1 2 293.342 1.227 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CO[C@@H](C)CC)C1 ZINC001107879040 918965554 /nfs/dbraw/zinc/96/55/54/918965554.db2.gz PEKWIZWUHDFRBA-GOEBONIOSA-N 1 2 296.411 1.032 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CO[C@@H](C)CC)C1 ZINC001107879040 918965565 /nfs/dbraw/zinc/96/55/65/918965565.db2.gz PEKWIZWUHDFRBA-GOEBONIOSA-N 1 2 296.411 1.032 20 30 CDEDLO C=CCc1cccc(CN2CC[NH+](CCOC)CC2)c1O ZINC001138626958 936552622 /nfs/dbraw/zinc/55/26/22/936552622.db2.gz UKTXYPASWCUPFZ-UHFFFAOYSA-N 1 2 290.407 1.885 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001185057141 919384362 /nfs/dbraw/zinc/38/43/62/919384362.db2.gz YMXLPIRIYZAICS-DGCLKSJQSA-N 1 2 292.383 1.671 20 30 CDEDLO CC[C@H](CC#N)[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC001255174590 936585266 /nfs/dbraw/zinc/58/52/66/936585266.db2.gz YVEHTYFGWWIUMD-LLVKDONJSA-N 1 2 273.402 1.034 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCCC)C2 ZINC001110362553 919577827 /nfs/dbraw/zinc/57/78/27/919577827.db2.gz NQUPEDSNQXTBON-UPJWGTAASA-N 1 2 286.803 1.887 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCCC)C2 ZINC001110362553 919577838 /nfs/dbraw/zinc/57/78/38/919577838.db2.gz NQUPEDSNQXTBON-UPJWGTAASA-N 1 2 286.803 1.887 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2cccc(OC)c2C)CC1 ZINC001186465313 920042260 /nfs/dbraw/zinc/04/22/60/920042260.db2.gz BPVAPWMLUQYPSO-UHFFFAOYSA-N 1 2 288.391 1.876 20 30 CDEDLO C=C(C)C[N@@H+](CC)Cc1ccc(S(C)(=O)=O)nc1 ZINC001139636995 936633348 /nfs/dbraw/zinc/63/33/48/936633348.db2.gz WQYSIXNEWKKXDZ-UHFFFAOYSA-N 1 2 268.382 1.883 20 30 CDEDLO C=C(C)C[N@H+](CC)Cc1ccc(S(C)(=O)=O)nc1 ZINC001139636995 936633349 /nfs/dbraw/zinc/63/33/49/936633349.db2.gz WQYSIXNEWKKXDZ-UHFFFAOYSA-N 1 2 268.382 1.883 20 30 CDEDLO N#CC1CC[NH+](Cc2cnc3c(c2)OCCO3)CC1 ZINC001139730614 936640410 /nfs/dbraw/zinc/64/04/10/936640410.db2.gz FFMFQWNJRMGDFN-UHFFFAOYSA-N 1 2 259.309 1.588 20 30 CDEDLO CCC(=O)N1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC001139722957 936639304 /nfs/dbraw/zinc/63/93/04/936639304.db2.gz MJFCXUBXKWXMCZ-UHFFFAOYSA-N 1 2 271.364 1.921 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(C)no3)C[C@H]21 ZINC001187192372 920399079 /nfs/dbraw/zinc/39/90/79/920399079.db2.gz YFMHPPVPOWVFKB-QWHCGFSZSA-N 1 2 290.367 1.377 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](Cc3nc(C)no3)C[C@H]21 ZINC001187192372 920399089 /nfs/dbraw/zinc/39/90/89/920399089.db2.gz YFMHPPVPOWVFKB-QWHCGFSZSA-N 1 2 290.367 1.377 20 30 CDEDLO C#CCN1CC[NH+](CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001203000696 936678393 /nfs/dbraw/zinc/67/83/93/936678393.db2.gz HHQZLKMEYZKSSV-UHFFFAOYSA-N 1 2 281.400 1.104 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[C@@H]1C ZINC001071749535 936690350 /nfs/dbraw/zinc/69/03/50/936690350.db2.gz VXUJFJBUTMXDLI-QSLWVIQJSA-N 1 2 298.814 1.600 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[C@@H]1C ZINC001071749535 936690352 /nfs/dbraw/zinc/69/03/52/936690352.db2.gz VXUJFJBUTMXDLI-QSLWVIQJSA-N 1 2 298.814 1.600 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)[C@@H]1CCCO1 ZINC000775348120 921829889 /nfs/dbraw/zinc/82/98/89/921829889.db2.gz IXVBTZFCXLPAMK-MNOVXSKESA-N 1 2 287.285 1.716 20 30 CDEDLO CC(C)(O)C#Cc1ccc(C(=O)NCCn2cc[nH+]c2)cc1 ZINC001191158247 922430464 /nfs/dbraw/zinc/43/04/64/922430464.db2.gz NRWYXBQEAPKRAJ-UHFFFAOYSA-N 1 2 297.358 1.436 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCC(C)C)[C@@H](O)C1 ZINC001099662970 936798127 /nfs/dbraw/zinc/79/81/27/936798127.db2.gz HIPRBYDOXZATBS-OLZOCXBDSA-N 1 2 288.819 1.727 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCC(C)C)[C@@H](O)C1 ZINC001099662970 936798130 /nfs/dbraw/zinc/79/81/30/936798130.db2.gz HIPRBYDOXZATBS-OLZOCXBDSA-N 1 2 288.819 1.727 20 30 CDEDLO C[N@@H+]1CCC[C@@H]1CCNC(=O)c1cccc(C#N)c1O ZINC001193657672 923843530 /nfs/dbraw/zinc/84/35/30/923843530.db2.gz BBXKKYGWKNHDLR-GFCCVEGCSA-N 1 2 273.336 1.478 20 30 CDEDLO C[N@H+]1CCC[C@@H]1CCNC(=O)c1cccc(C#N)c1O ZINC001193657672 923843539 /nfs/dbraw/zinc/84/35/39/923843539.db2.gz BBXKKYGWKNHDLR-GFCCVEGCSA-N 1 2 273.336 1.478 20 30 CDEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@H]2O)CCC1 ZINC001193710637 923874204 /nfs/dbraw/zinc/87/42/04/923874204.db2.gz FGPGMJVTJWFIGM-BLUMVJBISA-N 1 2 296.798 1.094 20 30 CDEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@H]2O)CCC1 ZINC001193710637 923874212 /nfs/dbraw/zinc/87/42/12/923874212.db2.gz FGPGMJVTJWFIGM-BLUMVJBISA-N 1 2 296.798 1.094 20 30 CDEDLO Cn1c[nH+]cc1-c1cccc(C(=O)N2CCO[C@H](C#N)C2)c1 ZINC001194894624 924384683 /nfs/dbraw/zinc/38/46/83/924384683.db2.gz DPSCVHCJBBQFDC-CQSZACIVSA-N 1 2 296.330 1.452 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(Cl)[nH]c2=O)CC1 ZINC001195133987 924478159 /nfs/dbraw/zinc/47/81/59/924478159.db2.gz GZXHUPXRWNZXJD-UHFFFAOYSA-N 1 2 281.743 1.384 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC)n2)C1 ZINC001080557283 924597255 /nfs/dbraw/zinc/59/72/55/924597255.db2.gz OBRJLCHASQPYSG-ZWNOBZJWSA-N 1 2 296.802 1.706 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC)n2)C1 ZINC001080557283 924597263 /nfs/dbraw/zinc/59/72/63/924597263.db2.gz OBRJLCHASQPYSG-ZWNOBZJWSA-N 1 2 296.802 1.706 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C)c2)[C@H](OC)C1 ZINC001081313950 924735575 /nfs/dbraw/zinc/73/55/75/924735575.db2.gz OPGRPOOVFWYCDX-HUUCEWRRSA-N 1 2 272.348 1.057 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(C)c2)[C@H](OC)C1 ZINC001081313950 924735581 /nfs/dbraw/zinc/73/55/81/924735581.db2.gz OPGRPOOVFWYCDX-HUUCEWRRSA-N 1 2 272.348 1.057 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)coc2C)[C@H](OC)C1 ZINC001081624756 924771165 /nfs/dbraw/zinc/77/11/65/924771165.db2.gz FOTXSQDKGKGHQF-ZIAGYGMSSA-N 1 2 290.363 1.349 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(C)coc2C)[C@H](OC)C1 ZINC001081624756 924771169 /nfs/dbraw/zinc/77/11/69/924771169.db2.gz FOTXSQDKGKGHQF-ZIAGYGMSSA-N 1 2 290.363 1.349 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2OC)cc1 ZINC001082012876 924842167 /nfs/dbraw/zinc/84/21/67/924842167.db2.gz NOJCPCLISJQJHA-HUUCEWRRSA-N 1 2 290.338 1.066 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2OC)cc1 ZINC001082012876 924842180 /nfs/dbraw/zinc/84/21/80/924842180.db2.gz NOJCPCLISJQJHA-HUUCEWRRSA-N 1 2 290.338 1.066 20 30 CDEDLO N#Cc1cc(C(F)(F)N2CC[NH2+]C[C@H]2C#N)cc(Cl)n1 ZINC001164641248 924960754 /nfs/dbraw/zinc/96/07/54/924960754.db2.gz IKTAWFWWHCUXMM-SNVBAGLBSA-N 1 2 297.696 1.453 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC3=CCCCC3)[C@H]2C1 ZINC001083025163 925077706 /nfs/dbraw/zinc/07/77/06/925077706.db2.gz WJQWWHODHRDECU-JKSUJKDBSA-N 1 2 288.391 1.422 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC3=CCCCC3)[C@H]2C1 ZINC001083025163 925077717 /nfs/dbraw/zinc/07/77/17/925077717.db2.gz WJQWWHODHRDECU-JKSUJKDBSA-N 1 2 288.391 1.422 20 30 CDEDLO C=CCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nonc1C ZINC001152352539 925219810 /nfs/dbraw/zinc/21/98/10/925219810.db2.gz FVEWECQIXROUQJ-LLVKDONJSA-N 1 2 280.372 1.671 20 30 CDEDLO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nonc1C ZINC001152352539 925219815 /nfs/dbraw/zinc/21/98/15/925219815.db2.gz FVEWECQIXROUQJ-LLVKDONJSA-N 1 2 280.372 1.671 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)/C(C)=C\C)c1nccn12 ZINC001101622074 936994327 /nfs/dbraw/zinc/99/43/27/936994327.db2.gz KNKVAJYLEKIGEY-XLVZXTRVSA-N 1 2 286.379 1.607 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](F)CC)c1nccn12 ZINC001101636017 936995693 /nfs/dbraw/zinc/99/56/93/936995693.db2.gz YUNZSPHEGIXRSK-NEPJUHHUSA-N 1 2 292.358 1.389 20 30 CDEDLO N#Cc1cnn2c1ncc(C#N)c2Nc1ccc(N)[nH+]c1 ZINC001201278737 926254009 /nfs/dbraw/zinc/25/40/09/926254009.db2.gz MISGEPLGGZBMRH-UHFFFAOYSA-N 1 2 276.263 1.193 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(F)ccc1OC ZINC001085751776 926360503 /nfs/dbraw/zinc/36/05/03/926360503.db2.gz OHZQAVPTEPVRSI-CYBMUJFWSA-N 1 2 290.338 1.614 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(F)ccc1OC ZINC001085751776 926360516 /nfs/dbraw/zinc/36/05/16/926360516.db2.gz OHZQAVPTEPVRSI-CYBMUJFWSA-N 1 2 290.338 1.614 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccnc1OC ZINC001085797145 926406664 /nfs/dbraw/zinc/40/66/64/926406664.db2.gz IXJWLSSZCRHQBN-ZDUSSCGKSA-N 1 2 287.363 1.260 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccnc1OC ZINC001085797145 926406667 /nfs/dbraw/zinc/40/66/67/926406667.db2.gz IXJWLSSZCRHQBN-ZDUSSCGKSA-N 1 2 287.363 1.260 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2ccccc2O1 ZINC001085877120 926471010 /nfs/dbraw/zinc/47/10/10/926471010.db2.gz SLACKUJYUBBXFG-RDJZCZTQSA-N 1 2 298.386 1.546 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2ccccc2O1 ZINC001085877120 926471015 /nfs/dbraw/zinc/47/10/15/926471015.db2.gz SLACKUJYUBBXFG-RDJZCZTQSA-N 1 2 298.386 1.546 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(CCC)on1 ZINC001085903184 926492388 /nfs/dbraw/zinc/49/23/88/926492388.db2.gz YXQDVZYBEYFEHL-LBPRGKRZSA-N 1 2 275.352 1.407 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(CCC)on1 ZINC001085903184 926492390 /nfs/dbraw/zinc/49/23/90/926492390.db2.gz YXQDVZYBEYFEHL-LBPRGKRZSA-N 1 2 275.352 1.407 20 30 CDEDLO CCN(C(=O)C#CC1CC1)[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102804678 937089462 /nfs/dbraw/zinc/08/94/62/937089462.db2.gz GQZIXWQGYXIMEE-HNNXBMFYSA-N 1 2 298.390 1.626 20 30 CDEDLO Cc1nc(N2CCCC[C@H](NC(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001102854533 937093160 /nfs/dbraw/zinc/09/31/60/937093160.db2.gz SHKBKDPMHPFIFJ-AAEUAGOBSA-N 1 2 287.367 1.420 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCCOC2)C1 ZINC001108402820 927510340 /nfs/dbraw/zinc/51/03/40/927510340.db2.gz NOOYMCFIMMZQRQ-ZBFHGGJFSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCCOC2)C1 ZINC001108402820 927510347 /nfs/dbraw/zinc/51/03/47/927510347.db2.gz NOOYMCFIMMZQRQ-ZBFHGGJFSA-N 1 2 296.411 1.196 20 30 CDEDLO Cc1nc(NC[C@H](C)CNC(=O)[C@H](C)C#N)cc[nH+]1 ZINC001103898541 937171576 /nfs/dbraw/zinc/17/15/76/937171576.db2.gz OKUKSWAESAKHOU-VHSXEESVSA-N 1 2 261.329 1.109 20 30 CDEDLO C=CCCOCC(=O)NC[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001104005631 937184493 /nfs/dbraw/zinc/18/44/93/937184493.db2.gz IDIDVSCCJOJMFR-GFCCVEGCSA-N 1 2 292.383 1.542 20 30 CDEDLO Cc1ccn(C[N@@H+](C)CC2=CCCOC2)c(=O)c1C#N ZINC000853562400 928043732 /nfs/dbraw/zinc/04/37/32/928043732.db2.gz NQQILRQSYOBANV-UHFFFAOYSA-N 1 2 273.336 1.264 20 30 CDEDLO Cc1ccn(C[N@H+](C)CC2=CCCOC2)c(=O)c1C#N ZINC000853562400 928043740 /nfs/dbraw/zinc/04/37/40/928043740.db2.gz NQQILRQSYOBANV-UHFFFAOYSA-N 1 2 273.336 1.264 20 30 CDEDLO COc1ccc2nc(N3CC[NH2+]C[C@@H]3C#N)c(C)cc2c1 ZINC001156320883 928043767 /nfs/dbraw/zinc/04/37/67/928043767.db2.gz GTQWLVBZDVMBJA-ZDUSSCGKSA-N 1 2 282.347 1.854 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)CSC(C)C)CC1 ZINC001112623798 929267391 /nfs/dbraw/zinc/26/73/91/929267391.db2.gz APYUYCZJZCEOIC-UHFFFAOYSA-N 1 2 256.415 1.848 20 30 CDEDLO C=CCCC(=O)N1CC[NH+](CCCc2nc(C)no2)CC1 ZINC001112687785 929327151 /nfs/dbraw/zinc/32/71/51/929327151.db2.gz SDRAUXVQZHOKDG-UHFFFAOYSA-N 1 2 292.383 1.421 20 30 CDEDLO Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCC#N)c[nH+]1 ZINC001134744326 929880343 /nfs/dbraw/zinc/88/03/43/929880343.db2.gz KMENFEOSYDJFKL-NEPJUHHUSA-N 1 2 291.399 1.323 20 30 CDEDLO C#CCC1(C(=O)NCC[NH2+]Cc2cnon2)CCCCC1 ZINC001153009849 937409436 /nfs/dbraw/zinc/40/94/36/937409436.db2.gz WPMYEEAKGJYILE-UHFFFAOYSA-N 1 2 290.367 1.249 20 30 CDEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1O)C2 ZINC001095344345 930933553 /nfs/dbraw/zinc/93/35/53/930933553.db2.gz RXDNSEQDUPFYEO-AGIUHOORSA-N 1 2 285.347 1.146 20 30 CDEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1O)C2 ZINC001095344345 930933560 /nfs/dbraw/zinc/93/35/60/930933560.db2.gz RXDNSEQDUPFYEO-AGIUHOORSA-N 1 2 285.347 1.146 20 30 CDEDLO C=C[C@@H](O)C[N@@H+]1C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001253568307 931151783 /nfs/dbraw/zinc/15/17/83/931151783.db2.gz ZTXQCEHZAGOVEY-VWYCJHECSA-N 1 2 274.336 1.080 20 30 CDEDLO C=C[C@@H](O)C[N@H+]1C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001253568307 931151788 /nfs/dbraw/zinc/15/17/88/931151788.db2.gz ZTXQCEHZAGOVEY-VWYCJHECSA-N 1 2 274.336 1.080 20 30 CDEDLO CC[C@H](CC#N)NC(=O)c1nc2c(s1)C[N@H+](C)CC2 ZINC001154224064 937519745 /nfs/dbraw/zinc/51/97/45/937519745.db2.gz MXDSCWAPWNSVPX-SECBINFHSA-N 1 2 278.381 1.553 20 30 CDEDLO CC[C@H](CC#N)NC(=O)c1nc2c(s1)C[N@@H+](C)CC2 ZINC001154224064 937519746 /nfs/dbraw/zinc/51/97/46/937519746.db2.gz MXDSCWAPWNSVPX-SECBINFHSA-N 1 2 278.381 1.553 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)nc1 ZINC001144163363 931677751 /nfs/dbraw/zinc/67/77/51/931677751.db2.gz DEQNUDMNFLPHPD-CQSZACIVSA-N 1 2 272.308 1.028 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)nc1 ZINC001144163363 931677754 /nfs/dbraw/zinc/67/77/54/931677754.db2.gz DEQNUDMNFLPHPD-CQSZACIVSA-N 1 2 272.308 1.028 20 30 CDEDLO C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)c1[nH]ncc1F ZINC001155076770 937631190 /nfs/dbraw/zinc/63/11/90/937631190.db2.gz FWJTTYOKPMNBGO-LLVKDONJSA-N 1 2 298.362 1.192 20 30 CDEDLO C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)c1[nH]ncc1F ZINC001155076770 937631191 /nfs/dbraw/zinc/63/11/91/937631191.db2.gz FWJTTYOKPMNBGO-LLVKDONJSA-N 1 2 298.362 1.192 20 30 CDEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1[nH+]cccc1-n1cccc1 ZINC001171363130 932866838 /nfs/dbraw/zinc/86/68/38/932866838.db2.gz SRHVQQQQGBOSED-JQWIXIFHSA-N 1 2 272.308 1.520 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001114722891 934940066 /nfs/dbraw/zinc/94/00/66/934940066.db2.gz PMKFHDGBOCQOSD-SPWCGHHHSA-N 1 2 289.379 1.823 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001114722891 934940070 /nfs/dbraw/zinc/94/00/70/934940070.db2.gz PMKFHDGBOCQOSD-SPWCGHHHSA-N 1 2 289.379 1.823 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001114728007 934943190 /nfs/dbraw/zinc/94/31/90/934943190.db2.gz BBVHIUQIEAETKU-MUYACECFSA-N 1 2 290.367 1.218 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001114728007 934943193 /nfs/dbraw/zinc/94/31/93/934943193.db2.gz BBVHIUQIEAETKU-MUYACECFSA-N 1 2 290.367 1.218 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)C)no1 ZINC001038771913 935756614 /nfs/dbraw/zinc/75/66/14/935756614.db2.gz KDHJPCYUVUVZDL-GFCCVEGCSA-N 1 2 275.352 1.625 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)C)no1 ZINC001038771913 935756616 /nfs/dbraw/zinc/75/66/16/935756616.db2.gz KDHJPCYUVUVZDL-GFCCVEGCSA-N 1 2 275.352 1.625 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)c(OC)c1 ZINC001038982262 935765569 /nfs/dbraw/zinc/76/55/69/935765569.db2.gz NUVKYQHVUNFETJ-CYBMUJFWSA-N 1 2 288.347 1.141 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)c(OC)c1 ZINC001038982262 935765571 /nfs/dbraw/zinc/76/55/71/935765571.db2.gz NUVKYQHVUNFETJ-CYBMUJFWSA-N 1 2 288.347 1.141 20 30 CDEDLO Cc1nc(NC[C@H]2CC[C@H](NC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001123793034 936223387 /nfs/dbraw/zinc/22/33/87/936223387.db2.gz AJFOLPOKYZQEKU-GJZGRUSLSA-N 1 2 298.390 1.895 20 30 CDEDLO C#CCN(CC#C)c1nc(N2CCCCC2)cc[nH+]1 ZINC001157561137 938511373 /nfs/dbraw/zinc/51/13/73/938511373.db2.gz PZXNRPMSSYJKPI-UHFFFAOYSA-N 1 2 254.337 1.540 20 30 CDEDLO N#Cc1cccnc1N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001157580733 938514676 /nfs/dbraw/zinc/51/46/76/938514676.db2.gz GZOJRMJPHDMDJG-GFCCVEGCSA-N 1 2 258.325 1.228 20 30 CDEDLO N#Cc1cccnc1N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001157580733 938514677 /nfs/dbraw/zinc/51/46/77/938514677.db2.gz GZOJRMJPHDMDJG-GFCCVEGCSA-N 1 2 258.325 1.228 20 30 CDEDLO N#Cc1cnc(NCC2([NH+]3CCCC3)COC2)c(F)c1 ZINC001157656428 938528246 /nfs/dbraw/zinc/52/82/46/938528246.db2.gz WZMMJZQDEGOYSD-UHFFFAOYSA-N 1 2 276.315 1.369 20 30 CDEDLO N#Cc1cnc(Cl)nc1NCCc1cn2ccccc2[nH+]1 ZINC001158142849 938587211 /nfs/dbraw/zinc/58/72/11/938587211.db2.gz TUOUNBDSXNOEBT-UHFFFAOYSA-N 1 2 298.737 1.726 20 30 CDEDLO C=C(C)CC[NH2+]CCCNC(=O)C(F)C(F)(F)F ZINC001158462693 938627666 /nfs/dbraw/zinc/62/76/66/938627666.db2.gz IUYAWFONRGBENK-SECBINFHSA-N 1 2 270.270 1.949 20 30 CDEDLO C=C(C)CC[NH2+]CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001158462693 938627670 /nfs/dbraw/zinc/62/76/70/938627670.db2.gz IUYAWFONRGBENK-SECBINFHSA-N 1 2 270.270 1.949 20 30 CDEDLO Cc1nc(Cl)nc(NCc2ccc3[nH+]ccn3c2)c1C#N ZINC001163139410 939211449 /nfs/dbraw/zinc/21/14/49/939211449.db2.gz NTEKECUWZLUVDX-UHFFFAOYSA-N 1 2 298.737 1.992 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(N3C[C@@H](O)[C@@H](F)C3)c2c1 ZINC001164112874 939412043 /nfs/dbraw/zinc/41/20/43/939412043.db2.gz NYDCUOJZZOBUMS-QWHCGFSZSA-N 1 2 257.268 1.625 20 30 CDEDLO N#Cc1cnc2cc[nH]c(N3CC[NH+](CCF)CC3)c1-2 ZINC001165105478 939511421 /nfs/dbraw/zinc/51/14/21/939511421.db2.gz UZKVNUPEEFRIMZ-UHFFFAOYSA-N 1 2 273.315 1.526 20 30 CDEDLO COC[C@]12COC[C@H]1CN(c1cc(CC#N)cc[nH+]1)C2 ZINC001166228538 939600080 /nfs/dbraw/zinc/60/00/80/939600080.db2.gz RETKWVMCRRHUGG-UKRRQHHQSA-N 1 2 273.336 1.247 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccccc2OCC)CC1 ZINC001203543591 939692724 /nfs/dbraw/zinc/69/27/24/939692724.db2.gz BNOOVSIWNINFJX-UHFFFAOYSA-N 1 2 258.365 1.836 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC(=O)NC3(CCCC3)C2)cc1 ZINC001203906689 939712804 /nfs/dbraw/zinc/71/28/04/939712804.db2.gz UBBPRLLHSGUAJK-UHFFFAOYSA-N 1 2 269.348 1.803 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC(=O)NC3(CCCC3)C2)cc1 ZINC001203906689 939712805 /nfs/dbraw/zinc/71/28/05/939712805.db2.gz UBBPRLLHSGUAJK-UHFFFAOYSA-N 1 2 269.348 1.803 20 30 CDEDLO C[C@H]1C[NH+](C2CN(Cc3ccc(C#N)cc3)C2)C[C@H](C)O1 ZINC001203907141 939713175 /nfs/dbraw/zinc/71/31/75/939713175.db2.gz OFRLYDMBFNHKSM-KBPBESRZSA-N 1 2 285.391 1.852 20 30 CDEDLO C[C@H]1CN(C2C[NH+](Cc3ccc(C#N)cc3)C2)C[C@H](C)O1 ZINC001203907141 939713176 /nfs/dbraw/zinc/71/31/76/939713176.db2.gz OFRLYDMBFNHKSM-KBPBESRZSA-N 1 2 285.391 1.852 20 30 CDEDLO N#Cc1cccc(-c2noc([C@]3([NH3+])CCOC3)n2)c1 ZINC001205227927 939839011 /nfs/dbraw/zinc/83/90/11/939839011.db2.gz VAQZIDCFIWJIRG-ZDUSSCGKSA-N 1 2 256.265 1.183 20 30 CDEDLO C=CCOCC[N@H+]1CC(C)C(NC(=O)C2OCCC2C)C1 ZINC001208707219 940373194 /nfs/dbraw/zinc/37/31/94/940373194.db2.gz IFWUWOZYLLTCNR-TUVASFSCSA-N 1 2 296.411 1.051 20 30 CDEDLO C=CCOCC[N@@H+]1CC(C)C(NC(=O)C2OCCC2C)C1 ZINC001208707219 940373197 /nfs/dbraw/zinc/37/31/97/940373197.db2.gz IFWUWOZYLLTCNR-TUVASFSCSA-N 1 2 296.411 1.051 20 30 CDEDLO C#CCN1CC[NH+](Cc2cccc(C(=O)OC)c2)CC1 ZINC000089945961 940389880 /nfs/dbraw/zinc/38/98/80/940389880.db2.gz NNVWPKLGUVMGQB-UHFFFAOYSA-N 1 2 272.348 1.224 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cccc(C(=O)OC)c2)CC1 ZINC000089945961 940389883 /nfs/dbraw/zinc/38/98/83/940389883.db2.gz NNVWPKLGUVMGQB-UHFFFAOYSA-N 1 2 272.348 1.224 20 30 CDEDLO CC(=O)[C@@H]1C[N@H+](CCCc2cccc(C#N)c2)CCO1 ZINC001208860887 940397118 /nfs/dbraw/zinc/39/71/18/940397118.db2.gz WKHOSOCXHJKAEZ-INIZCTEOSA-N 1 2 272.348 1.781 20 30 CDEDLO CC(=O)[C@@H]1C[N@@H+](CCCc2cccc(C#N)c2)CCO1 ZINC001208860887 940397120 /nfs/dbraw/zinc/39/71/20/940397120.db2.gz WKHOSOCXHJKAEZ-INIZCTEOSA-N 1 2 272.348 1.781 20 30 CDEDLO C=CCCCC[N@H+]1C[C@](O)(C(F)(F)F)C[C@H]1C(=O)OC ZINC001209201937 940446344 /nfs/dbraw/zinc/44/63/44/940446344.db2.gz ZSXPUEUFLCLBTN-JQWIXIFHSA-N 1 2 295.301 1.883 20 30 CDEDLO C=CCCCC[N@@H+]1C[C@](O)(C(F)(F)F)C[C@H]1C(=O)OC ZINC001209201937 940446346 /nfs/dbraw/zinc/44/63/46/940446346.db2.gz ZSXPUEUFLCLBTN-JQWIXIFHSA-N 1 2 295.301 1.883 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001219332977 941331269 /nfs/dbraw/zinc/33/12/69/941331269.db2.gz NJENAHSSLMMBCL-SJORKVTESA-N 1 2 298.386 1.166 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001219332977 941331272 /nfs/dbraw/zinc/33/12/72/941331272.db2.gz NJENAHSSLMMBCL-SJORKVTESA-N 1 2 298.386 1.166 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001219720455 941382945 /nfs/dbraw/zinc/38/29/45/941382945.db2.gz NKOIWCITOPRQNH-FVLQNALFSA-N 1 2 272.776 1.257 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001219720455 941382948 /nfs/dbraw/zinc/38/29/48/941382948.db2.gz NKOIWCITOPRQNH-FVLQNALFSA-N 1 2 272.776 1.257 20 30 CDEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001220198057 941423000 /nfs/dbraw/zinc/42/30/00/941423000.db2.gz CLYUVTIQEAQXBJ-RCAPSXEPSA-N 1 2 286.803 1.503 20 30 CDEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001220198057 941423001 /nfs/dbraw/zinc/42/30/01/941423001.db2.gz CLYUVTIQEAQXBJ-RCAPSXEPSA-N 1 2 286.803 1.503 20 30 CDEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)[C@@H](C#N)c1nccn1C ZINC001524256279 970830424 /nfs/dbraw/zinc/83/04/24/970830424.db2.gz JJJCYMGFSGRTTR-VXGBXAGGSA-N 1 2 260.341 1.471 20 30 CDEDLO CC[N@H+]1CCCC[C@@H]1C(=O)[C@@H](C#N)c1nccn1C ZINC001524256279 970830432 /nfs/dbraw/zinc/83/04/32/970830432.db2.gz JJJCYMGFSGRTTR-VXGBXAGGSA-N 1 2 260.341 1.471 20 30 CDEDLO COc1cccc(F)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001225447290 941861184 /nfs/dbraw/zinc/86/11/84/941861184.db2.gz JMNSYGHUMPEBQQ-DSRGUXITSA-N 1 2 279.311 1.826 20 30 CDEDLO COc1cccc(F)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001225447290 941861188 /nfs/dbraw/zinc/86/11/88/941861188.db2.gz JMNSYGHUMPEBQQ-DSRGUXITSA-N 1 2 279.311 1.826 20 30 CDEDLO C[C@H](C#N)C(=O)NC1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC001226639893 942039450 /nfs/dbraw/zinc/03/94/50/942039450.db2.gz ILIALPLQYKHLNI-NEPJUHHUSA-N 1 2 287.367 1.278 20 30 CDEDLO CCn1ccc(C[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)n1 ZINC001226641280 942040550 /nfs/dbraw/zinc/04/05/50/942040550.db2.gz XPSRRJMUPRLDES-GFCCVEGCSA-N 1 2 289.383 1.143 20 30 CDEDLO C=C(C)CCC(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001227588251 942192090 /nfs/dbraw/zinc/19/20/90/942192090.db2.gz KKXQXVJZEJVXFC-UHFFFAOYSA-N 1 2 290.411 1.857 20 30 CDEDLO COCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccccc1C#N ZINC001230537250 942632672 /nfs/dbraw/zinc/63/26/72/942632672.db2.gz BEHDAGUSOCUXQB-OAHLLOKOSA-N 1 2 287.363 1.237 20 30 CDEDLO COCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccccc1C#N ZINC001230537250 942632678 /nfs/dbraw/zinc/63/26/78/942632678.db2.gz BEHDAGUSOCUXQB-OAHLLOKOSA-N 1 2 287.363 1.237 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(F)ccc3C#N)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230638301 942663995 /nfs/dbraw/zinc/66/39/95/942663995.db2.gz HWBJKTYGYQWZJJ-KYFMZXIUSA-N 1 2 274.295 1.689 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(F)ccc3C#N)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230638301 942663999 /nfs/dbraw/zinc/66/39/99/942663999.db2.gz HWBJKTYGYQWZJJ-KYFMZXIUSA-N 1 2 274.295 1.689 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccsc1 ZINC001230697675 942680117 /nfs/dbraw/zinc/68/01/17/942680117.db2.gz LBIIMVIZDYJNCU-AWEZNQCLSA-N 1 2 292.404 1.544 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccsc1 ZINC001230697675 942680119 /nfs/dbraw/zinc/68/01/19/942680119.db2.gz LBIIMVIZDYJNCU-AWEZNQCLSA-N 1 2 292.404 1.544 20 30 CDEDLO CC[C@@H](F)C[N@@H+]1CC[C@H]1CN(C)C(=O)CSCC#N ZINC001230815351 942706921 /nfs/dbraw/zinc/70/69/21/942706921.db2.gz NMGFYXFRWBBIPA-NEPJUHHUSA-N 1 2 287.404 1.524 20 30 CDEDLO CC[C@@H](F)C[N@H+]1CC[C@H]1CN(C)C(=O)CSCC#N ZINC001230815351 942706924 /nfs/dbraw/zinc/70/69/24/942706924.db2.gz NMGFYXFRWBBIPA-NEPJUHHUSA-N 1 2 287.404 1.524 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NC(C)C ZINC001231121332 942792131 /nfs/dbraw/zinc/79/21/31/942792131.db2.gz BUTOMTJCQZQNOQ-ZDUSSCGKSA-N 1 2 281.400 1.010 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NC(C)C ZINC001231121332 942792133 /nfs/dbraw/zinc/79/21/33/942792133.db2.gz BUTOMTJCQZQNOQ-ZDUSSCGKSA-N 1 2 281.400 1.010 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(=O)NC1CC1 ZINC001231124099 942793855 /nfs/dbraw/zinc/79/38/55/942793855.db2.gz ZMKGWKCGTHAXAT-TZMCWYRMSA-N 1 2 293.411 1.152 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC1CC1 ZINC001231124099 942793859 /nfs/dbraw/zinc/79/38/59/942793859.db2.gz ZMKGWKCGTHAXAT-TZMCWYRMSA-N 1 2 293.411 1.152 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccn1 ZINC001231225692 942824327 /nfs/dbraw/zinc/82/43/27/942824327.db2.gz HMEZPTXDLXXHTM-HNNXBMFYSA-N 1 2 289.379 1.317 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccn1 ZINC001231225692 942824323 /nfs/dbraw/zinc/82/43/23/942824323.db2.gz HMEZPTXDLXXHTM-HNNXBMFYSA-N 1 2 289.379 1.317 20 30 CDEDLO CCC[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001231313125 942852493 /nfs/dbraw/zinc/85/24/93/942852493.db2.gz VZEDTAQRDCHHBO-CABCVRRESA-N 1 2 280.412 1.605 20 30 CDEDLO CCC[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001231313125 942852501 /nfs/dbraw/zinc/85/25/01/942852501.db2.gz VZEDTAQRDCHHBO-CABCVRRESA-N 1 2 280.412 1.605 20 30 CDEDLO C#Cc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC001231656532 942962266 /nfs/dbraw/zinc/96/22/66/942962266.db2.gz NQPIGJWHTGVLKD-KRWDZBQOSA-N 1 2 298.386 1.491 20 30 CDEDLO C#Cc1cccc(C[N@H+]2CCOC[C@@](O)(C(F)(F)F)C2)c1 ZINC001231657913 942963278 /nfs/dbraw/zinc/96/32/78/942963278.db2.gz OEZMIXSOAQDTBG-CQSZACIVSA-N 1 2 299.292 1.794 20 30 CDEDLO C#Cc1cccc(C[N@@H+]2CCOC[C@@](O)(C(F)(F)F)C2)c1 ZINC001231657913 942963283 /nfs/dbraw/zinc/96/32/83/942963283.db2.gz OEZMIXSOAQDTBG-CQSZACIVSA-N 1 2 299.292 1.794 20 30 CDEDLO C#Cc1cccc(C[NH+]2CCN(C(=O)C(C)C)CC2)c1 ZINC001231663084 942964743 /nfs/dbraw/zinc/96/47/43/942964743.db2.gz IPXNKFPEHLCBKT-UHFFFAOYSA-N 1 2 270.376 1.968 20 30 CDEDLO CCOC(=O)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232677284 943360255 /nfs/dbraw/zinc/36/02/55/943360255.db2.gz AQZMHCWIBCNGEI-LBPRGKRZSA-N 1 2 274.320 1.649 20 30 CDEDLO CCOC(=O)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232677284 943360259 /nfs/dbraw/zinc/36/02/59/943360259.db2.gz AQZMHCWIBCNGEI-LBPRGKRZSA-N 1 2 274.320 1.649 20 30 CDEDLO N#Cc1cnc(N2CC3(CC[N@@H+]3Cc3ccc[nH]3)C2)nc1 ZINC001277736412 943437188 /nfs/dbraw/zinc/43/71/88/943437188.db2.gz DWMHZMWKYYLQNF-UHFFFAOYSA-N 1 2 280.335 1.141 20 30 CDEDLO N#Cc1cnc(N2CC3(CC[N@H+]3Cc3ccc[nH]3)C2)nc1 ZINC001277736412 943437191 /nfs/dbraw/zinc/43/71/91/943437191.db2.gz DWMHZMWKYYLQNF-UHFFFAOYSA-N 1 2 280.335 1.141 20 30 CDEDLO N#Cc1cc[nH]c1C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC001233046666 943474491 /nfs/dbraw/zinc/47/44/91/943474491.db2.gz FGTZUPCDDUJBGU-UHFFFAOYSA-N 1 2 272.352 1.377 20 30 CDEDLO Cn1cnc2c1C[N@H+](Cc1ccc(C#N)cc1O)CC2 ZINC001233388435 943575587 /nfs/dbraw/zinc/57/55/87/943575587.db2.gz YUDNFONOIMRKLK-UHFFFAOYSA-N 1 2 268.320 1.556 20 30 CDEDLO Cn1cnc2c1C[N@@H+](Cc1ccc(C#N)cc1O)CC2 ZINC001233388435 943575589 /nfs/dbraw/zinc/57/55/89/943575589.db2.gz YUDNFONOIMRKLK-UHFFFAOYSA-N 1 2 268.320 1.556 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4c(N)n[nH]c4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233557902 943616934 /nfs/dbraw/zinc/61/69/34/943616934.db2.gz DTNNGMPHWOKLPS-UBYSCORNSA-N 1 2 286.335 1.136 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4c(N)n[nH]c4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233557902 943616937 /nfs/dbraw/zinc/61/69/37/943616937.db2.gz DTNNGMPHWOKLPS-UBYSCORNSA-N 1 2 286.335 1.136 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ocnc1C ZINC001233947889 943698581 /nfs/dbraw/zinc/69/85/81/943698581.db2.gz OVEJXWXRKFHOAW-CQSZACIVSA-N 1 2 289.379 1.819 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ocnc1C ZINC001233947889 943698584 /nfs/dbraw/zinc/69/85/84/943698584.db2.gz OVEJXWXRKFHOAW-CQSZACIVSA-N 1 2 289.379 1.819 20 30 CDEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccn1)C(=O)C#CC1CC1 ZINC001234178933 943766894 /nfs/dbraw/zinc/76/68/94/943766894.db2.gz QTUMMORDEWBKET-INIZCTEOSA-N 1 2 283.375 1.528 20 30 CDEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccn1)C(=O)C#CC1CC1 ZINC001234178933 943766897 /nfs/dbraw/zinc/76/68/97/943766897.db2.gz QTUMMORDEWBKET-INIZCTEOSA-N 1 2 283.375 1.528 20 30 CDEDLO C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001234426525 943834412 /nfs/dbraw/zinc/83/44/12/943834412.db2.gz WIBWZHDSXOYNES-UWVGGRQHSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001234426525 943834421 /nfs/dbraw/zinc/83/44/21/943834421.db2.gz WIBWZHDSXOYNES-UWVGGRQHSA-N 1 2 282.281 1.996 20 30 CDEDLO N#Cc1cc(F)ccc1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000722133410 943923947 /nfs/dbraw/zinc/92/39/47/943923947.db2.gz QHBOEZGIXRSBQE-UHFFFAOYSA-N 1 2 297.355 1.439 20 30 CDEDLO C=C(CC(C)C)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001263869669 944016095 /nfs/dbraw/zinc/01/60/95/944016095.db2.gz ZSQLIIZRTVSAFJ-OAHLLOKOSA-N 1 2 296.411 1.148 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C1CCC1 ZINC001235739805 944262489 /nfs/dbraw/zinc/26/24/89/944262489.db2.gz BMJNQSZRTDGACL-GOEBONIOSA-N 1 2 292.423 1.605 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C1CCC1 ZINC001235739805 944262491 /nfs/dbraw/zinc/26/24/91/944262491.db2.gz BMJNQSZRTDGACL-GOEBONIOSA-N 1 2 292.423 1.605 20 30 CDEDLO N#Cc1cc(C[NH+]2CC3(C2)C[C@H](F)CS3)ccn1 ZINC001237467646 944799291 /nfs/dbraw/zinc/79/92/91/944799291.db2.gz YPQAHIQQFZKJRG-NSHDSACASA-N 1 2 263.341 1.983 20 30 CDEDLO N#Cc1ccc2nc(C[N@@H+]3CC[C@@]34CCOC4)cn2c1 ZINC001237616817 944889749 /nfs/dbraw/zinc/88/97/49/944889749.db2.gz HNPTXLCEHBTXHV-HNNXBMFYSA-N 1 2 268.320 1.571 20 30 CDEDLO N#Cc1ccc2nc(C[N@H+]3CC[C@@]34CCOC4)cn2c1 ZINC001237616817 944889752 /nfs/dbraw/zinc/88/97/52/944889752.db2.gz HNPTXLCEHBTXHV-HNNXBMFYSA-N 1 2 268.320 1.571 20 30 CDEDLO COc1cc(C#N)ccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC001362296195 971128121 /nfs/dbraw/zinc/12/81/21/971128121.db2.gz JSJCWGFUUPYOMT-UHFFFAOYSA-N 1 2 270.292 1.262 20 30 CDEDLO C=CCC[C@@H](C)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001258721238 945393711 /nfs/dbraw/zinc/39/37/11/945393711.db2.gz QICXZEWKJUPDRA-DGCLKSJQSA-N 1 2 265.357 1.449 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)Nc1cc(C#N)ccc1F ZINC001476715553 971143500 /nfs/dbraw/zinc/14/35/00/971143500.db2.gz ARQLQXZYYJDBPZ-UHFFFAOYSA-N 1 2 273.271 1.753 20 30 CDEDLO N#Cc1cc(NC(=O)NCc2ccc(N)[nH+]c2)ccn1 ZINC001476945740 971155469 /nfs/dbraw/zinc/15/54/69/971155469.db2.gz VPNAMGXXBPYTJL-UHFFFAOYSA-N 1 2 268.280 1.252 20 30 CDEDLO Cc1cc(N)[nH+]cc1-c1ncc2c(C#N)c[nH]c2n1 ZINC001242078527 946594335 /nfs/dbraw/zinc/59/43/35/946594335.db2.gz KJFZXKYUDGGJOD-UHFFFAOYSA-N 1 2 250.265 1.782 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC001255166730 947762668 /nfs/dbraw/zinc/76/26/68/947762668.db2.gz PNLBOKNXZYNTRI-NXEZZACHSA-N 1 2 250.264 1.925 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC001255166730 947762672 /nfs/dbraw/zinc/76/26/72/947762672.db2.gz PNLBOKNXZYNTRI-NXEZZACHSA-N 1 2 250.264 1.925 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H](OCC(=O)N(C)CC)C1 ZINC001255177818 947768025 /nfs/dbraw/zinc/76/80/25/947768025.db2.gz XCEJFKCOOOCEAH-UONOGXRCSA-N 1 2 281.400 1.638 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@@H](OCC(=O)N(C)CC)C1 ZINC001255177818 947768030 /nfs/dbraw/zinc/76/80/30/947768030.db2.gz XCEJFKCOOOCEAH-UONOGXRCSA-N 1 2 281.400 1.638 20 30 CDEDLO C=CC[C@@](C)([NH2+][C@@H]1CC[C@@H](C(=O)OCC)C1)C(=O)OC ZINC001257045203 948497343 /nfs/dbraw/zinc/49/73/43/948497343.db2.gz AUBGFIMDFQIEGI-LALPHHSUSA-N 1 2 283.368 1.816 20 30 CDEDLO C=CCCNC(=S)NCc1c[nH+]cn1C1CCOCC1 ZINC001247692086 948705478 /nfs/dbraw/zinc/70/54/78/948705478.db2.gz OHRUTMQRDQRPSI-UHFFFAOYSA-N 1 2 294.424 1.775 20 30 CDEDLO C=CC[C@H]([NH3+])c1nc(-c2ccc(S(C)(=O)=O)cc2)no1 ZINC001247966826 948901132 /nfs/dbraw/zinc/90/11/32/948901132.db2.gz GZAGJACXTSVILW-NSHDSACASA-N 1 2 293.348 1.716 20 30 CDEDLO C#CCOC[C@@H](O)C[NH2+][C@@H](CC(C)C)C(=O)OC(C)(C)C ZINC001251885548 950913465 /nfs/dbraw/zinc/91/34/65/950913465.db2.gz YDYHYAIOXYLSGI-KBPBESRZSA-N 1 2 299.411 1.343 20 30 CDEDLO C=CCOC[C@H](O)C[NH2+][C@@H](C(=O)OCC)[C@@H](C)CC ZINC001252491743 951363444 /nfs/dbraw/zinc/36/34/44/951363444.db2.gz VAWVCCLMGYPOFY-YNEHKIRRSA-N 1 2 273.373 1.117 20 30 CDEDLO C[C@@](O)(C[N@@H+]1CC[C@H](C#N)C1)C(=O)OCc1ccccc1 ZINC001253636922 952005211 /nfs/dbraw/zinc/00/52/11/952005211.db2.gz WIXRXJJJCJQBIL-GDBMZVCRSA-N 1 2 288.347 1.326 20 30 CDEDLO C[C@@](O)(C[N@H+]1CC[C@H](C#N)C1)C(=O)OCc1ccccc1 ZINC001253636922 952005221 /nfs/dbraw/zinc/00/52/21/952005221.db2.gz WIXRXJJJCJQBIL-GDBMZVCRSA-N 1 2 288.347 1.326 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCCOC(=O)N(C)C)ccc1F ZINC001324462747 953399723 /nfs/dbraw/zinc/39/97/23/953399723.db2.gz PVRQUTXVMUZNAO-UHFFFAOYSA-N 1 2 283.303 1.469 20 30 CDEDLO C[N@@H+]1CCC[C@H]1C(=O)Nc1n[nH]c(-c2cccc(C#N)c2)n1 ZINC001364542402 954771073 /nfs/dbraw/zinc/77/10/73/954771073.db2.gz FIMQOBOTQBFIGK-LBPRGKRZSA-N 1 2 296.334 1.376 20 30 CDEDLO C[N@H+]1CCC[C@H]1C(=O)Nc1n[nH]c(-c2cccc(C#N)c2)n1 ZINC001364542402 954771083 /nfs/dbraw/zinc/77/10/83/954771083.db2.gz FIMQOBOTQBFIGK-LBPRGKRZSA-N 1 2 296.334 1.376 20 30 CDEDLO C#Cc1ccc(NC(=O)CCc2[nH+]ccn2C)cc1 ZINC001304816523 956227097 /nfs/dbraw/zinc/22/70/97/956227097.db2.gz XVNPZKYWNSLFPU-UHFFFAOYSA-N 1 2 253.305 1.973 20 30 CDEDLO CCCCCCCC[N@H+](C)Cc1nnc2n1CCNC2=O ZINC001308068379 956466472 /nfs/dbraw/zinc/46/64/72/956466472.db2.gz NUBDEEZQJIPIHS-UHFFFAOYSA-N 1 2 293.415 1.814 20 30 CDEDLO CCCCCCCC[N@@H+](C)Cc1nnc2n1CCNC2=O ZINC001308068379 956466476 /nfs/dbraw/zinc/46/64/76/956466476.db2.gz NUBDEEZQJIPIHS-UHFFFAOYSA-N 1 2 293.415 1.814 20 30 CDEDLO CC#CCN1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001313444716 956862040 /nfs/dbraw/zinc/86/20/40/956862040.db2.gz ILPMRNIJPWDWDP-UHFFFAOYSA-N 1 2 296.374 1.424 20 30 CDEDLO C#CCOCC[N@@H+](C)[C@H](C)c1cn(-c2ccccc2)nn1 ZINC001336067057 960186652 /nfs/dbraw/zinc/18/66/52/960186652.db2.gz NHDNRIOVTLCTTH-CQSZACIVSA-N 1 2 284.363 1.910 20 30 CDEDLO C#CCOCC[N@H+](C)[C@H](C)c1cn(-c2ccccc2)nn1 ZINC001336067057 960186659 /nfs/dbraw/zinc/18/66/59/960186659.db2.gz NHDNRIOVTLCTTH-CQSZACIVSA-N 1 2 284.363 1.910 20 30 CDEDLO Cc1cc(C#N)nc(N(C)CCCn2cc[nH+]c2)c1 ZINC001336717540 960502786 /nfs/dbraw/zinc/50/27/86/960502786.db2.gz XEOHTXIVPCPDQG-UHFFFAOYSA-N 1 2 255.325 1.985 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](CC#N)C1 ZINC001434172821 961057015 /nfs/dbraw/zinc/05/70/15/961057015.db2.gz NMXGDDUGEFBYAQ-YNEHKIRRSA-N 1 2 272.352 1.676 20 30 CDEDLO Cc1cc(C)cc(C[NH+]2CC(NC(=O)[C@@H](C)C#N)C2)c1 ZINC001418976509 961214793 /nfs/dbraw/zinc/21/47/93/961214793.db2.gz QRFOWUABFNDAKD-ZDUSSCGKSA-N 1 2 271.364 1.764 20 30 CDEDLO C=CCN(CCOC)c1nnc([C@H]2CCCC[N@@H+]2C)n1C ZINC001338577753 961888934 /nfs/dbraw/zinc/88/89/34/961888934.db2.gz BQGCXMZVRJLUIQ-CYBMUJFWSA-N 1 2 293.415 1.611 20 30 CDEDLO C=CCN(CCOC)c1nnc([C@H]2CCCC[N@H+]2C)n1C ZINC001338577753 961888950 /nfs/dbraw/zinc/88/89/50/961888950.db2.gz BQGCXMZVRJLUIQ-CYBMUJFWSA-N 1 2 293.415 1.611 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)C1CC[NH+](Cc2nccn2C)CC1 ZINC001436660814 962330320 /nfs/dbraw/zinc/33/03/20/962330320.db2.gz ALPKFCVGGOYURD-GFCCVEGCSA-N 1 2 289.383 1.003 20 30 CDEDLO C=CCN(C)c1nnc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)n1C ZINC001340143363 962773875 /nfs/dbraw/zinc/77/38/75/962773875.db2.gz XZRUOUMUVGASMC-STQMWFEESA-N 1 2 291.399 1.363 20 30 CDEDLO C=CCN(C)c1nnc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)n1C ZINC001340143363 962773883 /nfs/dbraw/zinc/77/38/83/962773883.db2.gz XZRUOUMUVGASMC-STQMWFEESA-N 1 2 291.399 1.363 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnnn1CC ZINC001437594288 963053676 /nfs/dbraw/zinc/05/36/76/963053676.db2.gz UYHZWQSKJZEBHI-UHFFFAOYSA-N 1 2 285.779 1.102 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnnn1CC ZINC001437594288 963053689 /nfs/dbraw/zinc/05/36/89/963053689.db2.gz UYHZWQSKJZEBHI-UHFFFAOYSA-N 1 2 285.779 1.102 20 30 CDEDLO C#CCN(CC#N)C(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001344548990 964351519 /nfs/dbraw/zinc/35/15/19/964351519.db2.gz HXGOCJXSBIFKDK-MRXNPFEDSA-N 1 2 296.374 1.421 20 30 CDEDLO C#CCN(CC#N)C(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001344548990 964351529 /nfs/dbraw/zinc/35/15/29/964351529.db2.gz HXGOCJXSBIFKDK-MRXNPFEDSA-N 1 2 296.374 1.421 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC001445971562 966404774 /nfs/dbraw/zinc/40/47/74/966404774.db2.gz PADAZURZRJZAFX-UHFFFAOYSA-N 1 2 271.324 1.554 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001100275829 967866727 /nfs/dbraw/zinc/86/67/27/967866727.db2.gz ITIWKCAIQQKEDJ-GFCCVEGCSA-N 1 2 276.384 1.940 20 30 CDEDLO COCC[N@H+](CCC#N)CCC(=O)OCc1ccccc1 ZINC001459602282 969439644 /nfs/dbraw/zinc/43/96/44/969439644.db2.gz KJVJZHDUWDKGOI-UHFFFAOYSA-N 1 2 290.363 1.982 20 30 CDEDLO COCC[N@@H+](CCC#N)CCC(=O)OCc1ccccc1 ZINC001459602282 969439647 /nfs/dbraw/zinc/43/96/47/969439647.db2.gz KJVJZHDUWDKGOI-UHFFFAOYSA-N 1 2 290.363 1.982 20 30 CDEDLO N#C[C@H]1CC[C@@H]([NH2+]Cc2nc(C(F)(F)F)n[nH]2)C1 ZINC001462688521 969710718 /nfs/dbraw/zinc/71/07/18/969710718.db2.gz JOCUMPBXAPTNAL-NKWVEPMBSA-N 1 2 259.235 1.605 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)Nc1cccc(C#N)c1 ZINC001463577317 969742542 /nfs/dbraw/zinc/74/25/42/969742542.db2.gz QQFBFQFESIEZNJ-UHFFFAOYSA-N 1 2 254.293 1.863 20 30 CDEDLO C=C[C@@](C)(O)C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001358484154 969745682 /nfs/dbraw/zinc/74/56/82/969745682.db2.gz KQIFJXWLARTKSX-DZGCQCFKSA-N 1 2 294.782 1.750 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)CC(C)(C)C#N ZINC001468063290 970121871 /nfs/dbraw/zinc/12/18/71/970121871.db2.gz COLCPPFFLGDPGC-NSHDSACASA-N 1 2 263.345 1.463 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCC(C)(C)CC#N)C1 ZINC001470463050 970332005 /nfs/dbraw/zinc/33/20/05/970332005.db2.gz ONZUKEQIVRMEMI-LBPRGKRZSA-N 1 2 289.383 1.859 20 30 CDEDLO CC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1cc(OC)ns1 ZINC001372290925 972898756 /nfs/dbraw/zinc/89/87/56/972898756.db2.gz XECXAIKVLZPXGJ-JTQLQIEISA-N 1 2 296.396 1.249 20 30 CDEDLO CC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1cc(OC)ns1 ZINC001372290925 972898762 /nfs/dbraw/zinc/89/87/62/972898762.db2.gz XECXAIKVLZPXGJ-JTQLQIEISA-N 1 2 296.396 1.249 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1cncs1 ZINC001418548128 973957986 /nfs/dbraw/zinc/95/79/86/973957986.db2.gz MQWALWIYQTYXKP-UHFFFAOYSA-N 1 2 287.816 1.876 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1cncs1 ZINC001418548128 973957997 /nfs/dbraw/zinc/95/79/97/973957997.db2.gz MQWALWIYQTYXKP-UHFFFAOYSA-N 1 2 287.816 1.876 20 30 CDEDLO C=C(Cl)CN1CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001375370016 974356585 /nfs/dbraw/zinc/35/65/85/974356585.db2.gz VVBMFPKUSHFPLA-CYBMUJFWSA-N 1 2 296.802 1.296 20 30 CDEDLO C[N@H+](CCNC(=O)c1ccon1)Cc1ccccc1C#N ZINC001377138614 974901443 /nfs/dbraw/zinc/90/14/43/974901443.db2.gz YJRCLQHPYFXURB-UHFFFAOYSA-N 1 2 284.319 1.408 20 30 CDEDLO C[N@@H+](CCNC(=O)c1ccon1)Cc1ccccc1C#N ZINC001377138614 974901445 /nfs/dbraw/zinc/90/14/45/974901445.db2.gz YJRCLQHPYFXURB-UHFFFAOYSA-N 1 2 284.319 1.408 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1c[nH]c2ncccc12 ZINC001377269621 974952007 /nfs/dbraw/zinc/95/20/07/974952007.db2.gz IEUFSWNCMPKHCN-UHFFFAOYSA-N 1 2 292.770 1.977 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1c[nH]c2ncccc12 ZINC001377269621 974952016 /nfs/dbraw/zinc/95/20/16/974952016.db2.gz IEUFSWNCMPKHCN-UHFFFAOYSA-N 1 2 292.770 1.977 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1cnn(CC)c1 ZINC001506036076 975096342 /nfs/dbraw/zinc/09/63/42/975096342.db2.gz FKGKOHKONOGPQJ-LBPRGKRZSA-N 1 2 298.818 1.635 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1cnn(CC)c1 ZINC001506036076 975096348 /nfs/dbraw/zinc/09/63/48/975096348.db2.gz FKGKOHKONOGPQJ-LBPRGKRZSA-N 1 2 298.818 1.635 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1cnn(C)c1 ZINC001378007407 975202483 /nfs/dbraw/zinc/20/24/83/975202483.db2.gz ZJTPULCPJXUMSJ-LLVKDONJSA-N 1 2 284.791 1.152 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1cnn(C)c1 ZINC001378007407 975202487 /nfs/dbraw/zinc/20/24/87/975202487.db2.gz ZJTPULCPJXUMSJ-LLVKDONJSA-N 1 2 284.791 1.152 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cnn2c1CCC2 ZINC001401378446 975630141 /nfs/dbraw/zinc/63/01/41/975630141.db2.gz TVVUBBZMMSCAQQ-UHFFFAOYSA-N 1 2 296.802 1.586 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cnn2c1CCC2 ZINC001401378446 975630148 /nfs/dbraw/zinc/63/01/48/975630148.db2.gz TVVUBBZMMSCAQQ-UHFFFAOYSA-N 1 2 296.802 1.586 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(CC)n(C)n1 ZINC001401830309 975941270 /nfs/dbraw/zinc/94/12/70/975941270.db2.gz XCOPMIVFKKEMCB-LLVKDONJSA-N 1 2 298.818 1.785 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(CC)n(C)n1 ZINC001401830309 975941278 /nfs/dbraw/zinc/94/12/78/975941278.db2.gz XCOPMIVFKKEMCB-LLVKDONJSA-N 1 2 298.818 1.785 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cccnc1OC ZINC001381570763 976923246 /nfs/dbraw/zinc/92/32/46/976923246.db2.gz WCLURQAUSORPPC-LLVKDONJSA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cccnc1OC ZINC001381570763 976923252 /nfs/dbraw/zinc/92/32/52/976923252.db2.gz WCLURQAUSORPPC-LLVKDONJSA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCc1cncn1C ZINC001392720334 977569577 /nfs/dbraw/zinc/56/95/77/977569577.db2.gz XWHDULGACCOXSZ-LBPRGKRZSA-N 1 2 298.818 1.542 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCc1cncn1C ZINC001392720334 977569584 /nfs/dbraw/zinc/56/95/84/977569584.db2.gz XWHDULGACCOXSZ-LBPRGKRZSA-N 1 2 298.818 1.542 20 30 CDEDLO C=CC[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001588731313 984008253 /nfs/dbraw/zinc/00/82/53/984008253.db2.gz HKEIPOFOGURCFX-CHWSQXEVSA-N 1 2 262.309 1.564 20 30 CDEDLO C=CC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001588731313 984008259 /nfs/dbraw/zinc/00/82/59/984008259.db2.gz HKEIPOFOGURCFX-CHWSQXEVSA-N 1 2 262.309 1.564 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001132654085 1163418498 /nfs/dbraw/zinc/41/84/98/1163418498.db2.gz YKUFBGTVXBCYLR-SNVBAGLBSA-N 1 2 266.345 1.186 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001133154790 1163585681 /nfs/dbraw/zinc/58/56/81/1163585681.db2.gz SVKYCQNRXHHQRS-UHFFFAOYSA-N 1 2 294.399 1.929 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170688548 1163745167 /nfs/dbraw/zinc/74/51/67/1163745167.db2.gz AEGWLPINCYPSEG-CHWSQXEVSA-N 1 2 277.318 1.619 20 30 CDEDLO C=C1CCC(C(=O)N=S2(=O)CC[NH2+]CC2)CC1 ZINC001573306605 1170652119 /nfs/dbraw/zinc/65/21/19/1170652119.db2.gz CAZXAGCWIXYGQQ-UHFFFAOYSA-N 1 2 256.371 1.331 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2c[nH]nn2)C1 ZINC001575049605 1171095594 /nfs/dbraw/zinc/09/55/94/1171095594.db2.gz PHHZOXZLTUWYPK-CHWSQXEVSA-N 1 2 291.399 1.536 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cn[nH]n2)C1 ZINC001575049605 1171095604 /nfs/dbraw/zinc/09/56/04/1171095604.db2.gz PHHZOXZLTUWYPK-CHWSQXEVSA-N 1 2 291.399 1.536 20 30 CDEDLO COc1ccc[nH+]c1N1CCN(c2cc(C#N)ccn2)CC1 ZINC000587972527 342487567 /nfs/dbraw/zinc/48/75/67/342487567.db2.gz QRHMPRULMKWEGN-UHFFFAOYSA-N 1 2 295.346 1.683 20 30 CDEDLO C[C@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000589207418 342500258 /nfs/dbraw/zinc/50/02/58/342500258.db2.gz WJLJONNKHPAYRJ-WDEREUQCSA-N 1 2 266.366 1.591 20 30 CDEDLO C[C@H](O)C[C@@H]1COCC[N@H+]1Cc1ccc(C#N)s1 ZINC000589207418 342500259 /nfs/dbraw/zinc/50/02/59/342500259.db2.gz WJLJONNKHPAYRJ-WDEREUQCSA-N 1 2 266.366 1.591 20 30 CDEDLO N#Cc1cccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000589388204 342504771 /nfs/dbraw/zinc/50/47/71/342504771.db2.gz ZGGUJMQCIZDUCC-ZDUSSCGKSA-N 1 2 281.319 1.627 20 30 CDEDLO CCc1nc(C#N)cc(N[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000308181177 342510554 /nfs/dbraw/zinc/51/05/54/342510554.db2.gz QDXMWHCKSABZTC-NSHDSACASA-N 1 2 275.356 1.043 20 30 CDEDLO C[C@@H](NC(=O)CNc1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000590393356 342542454 /nfs/dbraw/zinc/54/24/54/342542454.db2.gz PGWHOPUXVQFRIS-SNVBAGLBSA-N 1 2 269.308 1.571 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000562762960 361757892 /nfs/dbraw/zinc/75/78/92/361757892.db2.gz GWKVGCQSBUKYRP-CABCVRRESA-N 1 2 283.331 1.946 20 30 CDEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000351619932 361808923 /nfs/dbraw/zinc/80/89/23/361808923.db2.gz OHOVETARKMWHRD-GFCCVEGCSA-N 1 2 251.374 1.869 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCCO1)C1CCOCC1 ZINC000329690402 361810220 /nfs/dbraw/zinc/81/02/20/361810220.db2.gz ZKHJWNRAJZDPGL-LBPRGKRZSA-N 1 2 294.355 1.439 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000051823829 342057515 /nfs/dbraw/zinc/05/75/15/342057515.db2.gz OYVVZAUOCOBSQX-UHFFFAOYSA-N 1 2 295.364 1.990 20 30 CDEDLO N#Cc1cccnc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609132699 342091552 /nfs/dbraw/zinc/09/15/52/342091552.db2.gz CKHHZTXQOCZCGA-ZDUSSCGKSA-N 1 2 253.309 1.991 20 30 CDEDLO N#CCCCCNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609148190 342092477 /nfs/dbraw/zinc/09/24/77/342092477.db2.gz KUEJZCSTVJSHAV-ZDUSSCGKSA-N 1 2 275.356 1.923 20 30 CDEDLO C=CCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000047605723 342103165 /nfs/dbraw/zinc/10/31/65/342103165.db2.gz MOPDRSPCIKXEIR-OAHLLOKOSA-N 1 2 289.379 1.373 20 30 CDEDLO C=CCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000047605723 342103166 /nfs/dbraw/zinc/10/31/66/342103166.db2.gz MOPDRSPCIKXEIR-OAHLLOKOSA-N 1 2 289.379 1.373 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](OC)C1 ZINC000083170590 178349075 /nfs/dbraw/zinc/34/90/75/178349075.db2.gz PABKGNIPLNXBMY-GJZGRUSLSA-N 1 2 288.347 1.883 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](OC)C1 ZINC000083170590 178349077 /nfs/dbraw/zinc/34/90/77/178349077.db2.gz PABKGNIPLNXBMY-GJZGRUSLSA-N 1 2 288.347 1.883 20 30 CDEDLO N#Cc1cncnc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591908323 342656026 /nfs/dbraw/zinc/65/60/26/342656026.db2.gz QTUZQWHNGRJADW-LBPRGKRZSA-N 1 2 254.297 1.386 20 30 CDEDLO C=C(Br)C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000052442096 342144681 /nfs/dbraw/zinc/14/46/81/342144681.db2.gz XUNTUHONVXBESO-UHFFFAOYSA-N 1 2 288.189 1.385 20 30 CDEDLO C=C[C@H]([NH2+][C@@H]([C@H](CO)C1CC1)C1CC1)C(=O)OC ZINC000590758008 342644070 /nfs/dbraw/zinc/64/40/70/342644070.db2.gz 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/nfs/dbraw/zinc/90/92/51/361909251.db2.gz TVCAWBHYTRTCKF-UHFFFAOYSA-N 1 2 259.309 1.167 20 30 CDEDLO N#CCCCCCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000588692288 342219839 /nfs/dbraw/zinc/21/98/39/342219839.db2.gz RBSUFPSVCWYFKO-LBPRGKRZSA-N 1 2 260.341 1.788 20 30 CDEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000594024686 342867556 /nfs/dbraw/zinc/86/75/56/342867556.db2.gz UWLDBCHLGXSOFR-SUMWQHHRSA-N 1 2 298.390 1.697 20 30 CDEDLO N#CCCCC[C@@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000594436156 342899142 /nfs/dbraw/zinc/89/91/42/342899142.db2.gz MFKGUKBSXZDSHH-SNVBAGLBSA-N 1 2 292.295 1.650 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@](F)(C#N)C1 ZINC000594343303 342891234 /nfs/dbraw/zinc/89/12/34/342891234.db2.gz NSTRPXCEOGSSSM-JOYOIKCWSA-N 1 2 250.277 1.052 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@](F)(C#N)C1 ZINC000594343303 342891235 /nfs/dbraw/zinc/89/12/35/342891235.db2.gz NSTRPXCEOGSSSM-JOYOIKCWSA-N 1 2 250.277 1.052 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N[C@H](C)c1[nH+]ccn1C)OCC ZINC000620604095 342241475 /nfs/dbraw/zinc/24/14/75/342241475.db2.gz QCIXRGUAPXVBMH-VXGBXAGGSA-N 1 2 265.357 1.969 20 30 CDEDLO N#CCNC(=O)C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609417697 342299269 /nfs/dbraw/zinc/29/92/69/342299269.db2.gz IOIOQLSJDVTLNV-AWEZNQCLSA-N 1 2 273.336 1.090 20 30 CDEDLO N#CCNC(=O)C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609417697 342299270 /nfs/dbraw/zinc/29/92/70/342299270.db2.gz IOIOQLSJDVTLNV-AWEZNQCLSA-N 1 2 273.336 1.090 20 30 CDEDLO C[N@H+](CC(C)(C)C#N)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000595500040 343078417 /nfs/dbraw/zinc/07/84/17/343078417.db2.gz HSLKYSZTQAPJKP-FRRDWIJNSA-N 1 2 263.385 1.915 20 30 CDEDLO C[N@@H+](CC(C)(C)C#N)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000595500040 343078418 /nfs/dbraw/zinc/07/84/18/343078418.db2.gz HSLKYSZTQAPJKP-FRRDWIJNSA-N 1 2 263.385 1.915 20 30 CDEDLO CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595618240 343110556 /nfs/dbraw/zinc/11/05/56/343110556.db2.gz ZQNYJRSUOKXZQM-CYBMUJFWSA-N 1 2 272.414 1.825 20 30 CDEDLO CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@H](CC#N)C1 ZINC000595618240 343110559 /nfs/dbraw/zinc/11/05/59/343110559.db2.gz ZQNYJRSUOKXZQM-CYBMUJFWSA-N 1 2 272.414 1.825 20 30 CDEDLO CN(CC[NH+]1CCOCC1)c1ccc(Cl)cc1C#N ZINC000077963160 342334106 /nfs/dbraw/zinc/33/41/06/342334106.db2.gz TUOCOGJDEUFNQE-UHFFFAOYSA-N 1 2 279.771 1.980 20 30 CDEDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1ccc(C#N)s1 ZINC000126501687 187244305 /nfs/dbraw/zinc/24/43/05/187244305.db2.gz SEUAXCKRZDXXQP-JTQLQIEISA-N 1 2 286.422 1.875 20 30 CDEDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000126501687 187244306 /nfs/dbraw/zinc/24/43/06/187244306.db2.gz SEUAXCKRZDXXQP-JTQLQIEISA-N 1 2 286.422 1.875 20 30 CDEDLO Cc1noc(C)c1C[NH+]1CCN(c2cc(C#N)cnn2)CC1 ZINC000596077790 343226819 /nfs/dbraw/zinc/22/68/19/343226819.db2.gz BKHFYJPMHYQNLJ-UHFFFAOYSA-N 1 2 298.350 1.275 20 30 CDEDLO Cc1ccc(C#N)nc1NCC[N@H+]1CCN(C)C(C)(C)C1 ZINC000596222336 343270759 /nfs/dbraw/zinc/27/07/59/343270759.db2.gz JOGSOCMBNNIRQW-UHFFFAOYSA-N 1 2 287.411 1.700 20 30 CDEDLO Cc1ccc(C#N)nc1NCC[N@@H+]1CCN(C)C(C)(C)C1 ZINC000596222336 343270762 /nfs/dbraw/zinc/27/07/62/343270762.db2.gz JOGSOCMBNNIRQW-UHFFFAOYSA-N 1 2 287.411 1.700 20 30 CDEDLO C[C@H](O)CNc1cc(N2CCC[C@H](CC#N)C2)nc[nH+]1 ZINC000596329470 343304262 /nfs/dbraw/zinc/30/42/62/343304262.db2.gz LIWOQAFCAJEKGS-NWDGAFQWSA-N 1 2 275.356 1.399 20 30 CDEDLO C[C@H](O)CNc1cc(N2CCC[C@H](CC#N)C2)[nH+]cn1 ZINC000596329470 343304265 /nfs/dbraw/zinc/30/42/65/343304265.db2.gz LIWOQAFCAJEKGS-NWDGAFQWSA-N 1 2 275.356 1.399 20 30 CDEDLO C[C@@H](Nc1ncc([N+](=O)[O-])cc1C#N)c1[nH+]ccn1C ZINC000596542457 343346697 /nfs/dbraw/zinc/34/66/97/343346697.db2.gz IKOYFONLZYYQAQ-MRVPVSSYSA-N 1 2 272.268 1.768 20 30 CDEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000091897998 342409061 /nfs/dbraw/zinc/40/90/61/342409061.db2.gz VWGLQSNRDOWDIC-ZDUSSCGKSA-N 1 2 297.380 1.053 20 30 CDEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000091897998 342409062 /nfs/dbraw/zinc/40/90/62/342409062.db2.gz VWGLQSNRDOWDIC-ZDUSSCGKSA-N 1 2 297.380 1.053 20 30 CDEDLO C#CCSCCNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000371043254 343396398 /nfs/dbraw/zinc/39/63/98/343396398.db2.gz MJYPYECSWMFUOH-LBPRGKRZSA-N 1 2 292.408 1.285 20 30 CDEDLO CC(C)C[C@@H](C#N)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597073135 343439032 /nfs/dbraw/zinc/43/90/32/343439032.db2.gz DSVOTLLRDIYVSB-QWRGUYRKSA-N 1 2 260.341 1.569 20 30 CDEDLO CC(C)C[C@@H](C#N)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597073135 343439035 /nfs/dbraw/zinc/43/90/35/343439035.db2.gz DSVOTLLRDIYVSB-QWRGUYRKSA-N 1 2 260.341 1.569 20 30 CDEDLO N#CCCN(Cc1ccco1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000597024965 343437448 /nfs/dbraw/zinc/43/74/48/343437448.db2.gz SWIVOJPMRDAUHL-CYBMUJFWSA-N 1 2 298.346 1.981 20 30 CDEDLO COC(=O)c1ccc(C[NH2+]C[C@@H](C)C#N)cc1F ZINC000597081678 343451955 /nfs/dbraw/zinc/45/19/55/343451955.db2.gz CSNWFLALJXZKIM-VIFPVBQESA-N 1 2 250.273 1.862 20 30 CDEDLO CCc1nc(C)c(NC(=O)NC[C@H]2C[N@H+](C)CCO2)s1 ZINC000330335994 529726182 /nfs/dbraw/zinc/72/61/82/529726182.db2.gz RZXNZUSPIXRRRH-JTQLQIEISA-N 1 2 298.412 1.670 20 30 CDEDLO CCc1nc(C)c(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)s1 ZINC000330335994 529726184 /nfs/dbraw/zinc/72/61/84/529726184.db2.gz RZXNZUSPIXRRRH-JTQLQIEISA-N 1 2 298.412 1.670 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597694956 343613940 /nfs/dbraw/zinc/61/39/40/343613940.db2.gz LSDDRXSSQKGEKE-GHMZBOCLSA-N 1 2 260.341 1.532 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCc2c1cccc2C#N ZINC000597789291 343635922 /nfs/dbraw/zinc/63/59/22/343635922.db2.gz QWTUAMQJHAZSLO-ZIAGYGMSSA-N 1 2 292.342 1.985 20 30 CDEDLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000597855452 343647045 /nfs/dbraw/zinc/64/70/45/343647045.db2.gz CEBDOGPVKJNZIL-AWEZNQCLSA-N 1 2 293.330 1.622 20 30 CDEDLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000597855452 343647046 /nfs/dbraw/zinc/64/70/46/343647046.db2.gz CEBDOGPVKJNZIL-AWEZNQCLSA-N 1 2 293.330 1.622 20 30 CDEDLO N#Cc1ccc(CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000597889497 343658909 /nfs/dbraw/zinc/65/89/09/343658909.db2.gz ITYWFMZIHYEGPY-HNNXBMFYSA-N 1 2 294.358 1.676 20 30 CDEDLO C[C@@H](CC(=O)N1CCC[C@@H](CC#N)C1)n1cc[nH+]c1 ZINC000597900555 343665445 /nfs/dbraw/zinc/66/54/45/343665445.db2.gz CAMAZZJEIQEGRG-STQMWFEESA-N 1 2 260.341 1.986 20 30 CDEDLO C[C@@H](C#N)N(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000598130070 343722047 /nfs/dbraw/zinc/72/20/47/343722047.db2.gz NKPSGHKIGYERPW-QWRGUYRKSA-N 1 2 258.325 1.349 20 30 CDEDLO C=C[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)C(=O)OC ZINC000619703649 349860033 /nfs/dbraw/zinc/86/00/33/349860033.db2.gz PWESMZMNKLFQRA-SCRDCRAPSA-N 1 2 253.342 1.509 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+](C)C[C@@H](C)c1nccs1 ZINC000619720564 349870726 /nfs/dbraw/zinc/87/07/26/349870726.db2.gz QRFOBTUBLFMNBO-ZJUUUORDSA-N 1 2 254.355 1.906 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000619720564 349870729 /nfs/dbraw/zinc/87/07/29/349870729.db2.gz QRFOBTUBLFMNBO-ZJUUUORDSA-N 1 2 254.355 1.906 20 30 CDEDLO Cc1noc(C[N@H+](C)C[C@@H](O)CC(C)(C)C#N)n1 ZINC000598622203 343845766 /nfs/dbraw/zinc/84/57/66/343845766.db2.gz GFHLJCXIQSDPGG-JTQLQIEISA-N 1 2 252.318 1.111 20 30 CDEDLO Cc1noc(C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)n1 ZINC000598622203 343845768 /nfs/dbraw/zinc/84/57/68/343845768.db2.gz GFHLJCXIQSDPGG-JTQLQIEISA-N 1 2 252.318 1.111 20 30 CDEDLO C[C@@]1(C#N)CCCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000612108694 347024098 /nfs/dbraw/zinc/02/40/98/347024098.db2.gz PUOLZVYQUVGBRB-AWEZNQCLSA-N 1 2 268.324 1.792 20 30 CDEDLO CCC(C#N)(CC)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000600091765 344175988 /nfs/dbraw/zinc/17/59/88/344175988.db2.gz JAVZWTVJZJEELD-STQMWFEESA-N 1 2 281.400 1.542 20 30 CDEDLO CCC(C#N)(CC)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000600091765 344175991 /nfs/dbraw/zinc/17/59/91/344175991.db2.gz JAVZWTVJZJEELD-STQMWFEESA-N 1 2 281.400 1.542 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(F)c(F)c(F)c1 ZINC000573629100 334953694 /nfs/dbraw/zinc/95/36/94/334953694.db2.gz XGIHJIHKVDKKLC-ZDUSSCGKSA-N 1 2 285.269 1.678 20 30 CDEDLO CO[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccc(F)cc1 ZINC000602331319 344401824 /nfs/dbraw/zinc/40/18/24/344401824.db2.gz BWNBSCHQVMVRCD-ZFWWWQNUSA-N 1 2 293.342 1.473 20 30 CDEDLO C=CCC[C@@H]([NH2+]C[C@]1(OC)CCOC1)C(=O)OCC ZINC000602679111 344527597 /nfs/dbraw/zinc/52/75/97/344527597.db2.gz BJZOJTBILUKYIX-TZMCWYRMSA-N 1 2 271.357 1.279 20 30 CDEDLO N#CCC1(C[N@H+]2CCC[C@H](C3N=NC(=O)O3)C2)CC1 ZINC000602828159 344612763 /nfs/dbraw/zinc/61/27/63/344612763.db2.gz RFSARFRMXVYUAD-JTQLQIEISA-N 1 2 262.313 1.648 20 30 CDEDLO N#CCC1(C[N@@H+]2CCC[C@H](C3N=NC(=O)O3)C2)CC1 ZINC000602828159 344612766 /nfs/dbraw/zinc/61/27/66/344612766.db2.gz RFSARFRMXVYUAD-JTQLQIEISA-N 1 2 262.313 1.648 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)NCc1cccs1 ZINC000602861259 344616621 /nfs/dbraw/zinc/61/66/21/344616621.db2.gz FSIQVMATPUPFBM-VHSXEESVSA-N 1 2 251.355 1.645 20 30 CDEDLO COC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)CC#N)cc1 ZINC000602870859 344641141 /nfs/dbraw/zinc/64/11/41/344641141.db2.gz XXVYBEBSGSVNHO-JTQLQIEISA-N 1 2 275.308 1.303 20 30 CDEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000618904173 345445276 /nfs/dbraw/zinc/44/52/76/345445276.db2.gz UQVOPDICBFYJGV-MNOVXSKESA-N 1 2 281.381 1.207 20 30 CDEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000618904173 345445278 /nfs/dbraw/zinc/44/52/78/345445278.db2.gz UQVOPDICBFYJGV-MNOVXSKESA-N 1 2 281.381 1.207 20 30 CDEDLO C=CCCOCC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000617482556 345573127 /nfs/dbraw/zinc/57/31/27/345573127.db2.gz SZWXVWDGCRLHDI-UHFFFAOYSA-N 1 2 289.379 1.891 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000064795746 345642570 /nfs/dbraw/zinc/64/25/70/345642570.db2.gz LKAOHIJWAQXDSR-STQMWFEESA-N 1 2 251.374 1.891 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000064795746 345642573 /nfs/dbraw/zinc/64/25/73/345642573.db2.gz LKAOHIJWAQXDSR-STQMWFEESA-N 1 2 251.374 1.891 20 30 CDEDLO C=CC[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)C1 ZINC000617786368 345973612 /nfs/dbraw/zinc/97/36/12/345973612.db2.gz YAZVZFYKEQCDFX-CQSZACIVSA-N 1 2 295.427 1.258 20 30 CDEDLO C=CC[C@@H]1CCCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)C1 ZINC000617786368 345973614 /nfs/dbraw/zinc/97/36/14/345973614.db2.gz YAZVZFYKEQCDFX-CQSZACIVSA-N 1 2 295.427 1.258 20 30 CDEDLO N#CC1(C(=O)N2CC(Oc3cc[nH+]cc3)C2)CCC1 ZINC000609875807 346029362 /nfs/dbraw/zinc/02/93/62/346029362.db2.gz CBMDVIFCVZYJRK-UHFFFAOYSA-N 1 2 257.293 1.365 20 30 CDEDLO C=CCC[C@H](NCc1c[nH+]cn1C)C(=O)OCC ZINC000449657786 362763925 /nfs/dbraw/zinc/76/39/25/362763925.db2.gz QTLHEVGEIQDWAY-LBPRGKRZSA-N 1 2 251.330 1.408 20 30 CDEDLO N#CC1(NC(=O)CCCn2cc[nH+]c2)CCSCC1 ZINC000611118818 346613074 /nfs/dbraw/zinc/61/30/74/346613074.db2.gz PHQVCIACSXKNRF-UHFFFAOYSA-N 1 2 278.381 1.569 20 30 CDEDLO N#CC1(C[NH+]2CCN(c3ccccc3O)CC2)CC1 ZINC000611237720 346706804 /nfs/dbraw/zinc/70/68/04/346706804.db2.gz PQTLXPKYQTYKHT-UHFFFAOYSA-N 1 2 257.337 1.818 20 30 CDEDLO N#CC1(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000611430869 346788256 /nfs/dbraw/zinc/78/82/56/346788256.db2.gz WNHQDMZCRFDQNA-NSHDSACASA-N 1 2 287.323 1.780 20 30 CDEDLO N#CC1(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000611430869 346788258 /nfs/dbraw/zinc/78/82/58/346788258.db2.gz WNHQDMZCRFDQNA-NSHDSACASA-N 1 2 287.323 1.780 20 30 CDEDLO C=CC[C@@H](CO)CNc1nc(NC)c2ccccc2[nH+]1 ZINC000450424028 362822834 /nfs/dbraw/zinc/82/28/34/362822834.db2.gz QBUIFAMUZOZXJB-LLVKDONJSA-N 1 2 272.352 1.112 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc(C(=O)N(C)C)c1 ZINC000066470497 347488584 /nfs/dbraw/zinc/48/85/84/347488584.db2.gz RQCKWOWRSRFAAG-GFCCVEGCSA-N 1 2 259.353 1.980 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc(C(=O)N(C)C)c1 ZINC000066470497 347488587 /nfs/dbraw/zinc/48/85/87/347488587.db2.gz RQCKWOWRSRFAAG-GFCCVEGCSA-N 1 2 259.353 1.980 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1cnn(C)c1 ZINC000066564765 347491463 /nfs/dbraw/zinc/49/14/63/347491463.db2.gz GMIHAOLFWSKFIQ-UHFFFAOYSA-N 1 2 262.357 1.053 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1cnn(C)c1 ZINC000066564765 347491465 /nfs/dbraw/zinc/49/14/65/347491465.db2.gz GMIHAOLFWSKFIQ-UHFFFAOYSA-N 1 2 262.357 1.053 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000491695388 347587062 /nfs/dbraw/zinc/58/70/62/347587062.db2.gz MOBFXPDAYURXFT-QWHCGFSZSA-N 1 2 274.368 1.972 20 30 CDEDLO C#CC[N@@H+](Cc1cnnn1C)[C@@H]1CCc2ccccc21 ZINC000127550828 348239295 /nfs/dbraw/zinc/23/92/95/348239295.db2.gz OILBJEPCOHPWKT-MRXNPFEDSA-N 1 2 266.348 1.938 20 30 CDEDLO C#CC[N@H+](Cc1cnnn1C)[C@@H]1CCc2ccccc21 ZINC000127550828 348239299 /nfs/dbraw/zinc/23/92/99/348239299.db2.gz OILBJEPCOHPWKT-MRXNPFEDSA-N 1 2 266.348 1.938 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cc(F)ccc1F ZINC000414122685 362920412 /nfs/dbraw/zinc/92/04/12/362920412.db2.gz GGUZNGHVXHOBQE-LLVKDONJSA-N 1 2 270.279 1.550 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cc(F)ccc1F ZINC000414122685 362920417 /nfs/dbraw/zinc/92/04/17/362920417.db2.gz GGUZNGHVXHOBQE-LLVKDONJSA-N 1 2 270.279 1.550 20 30 CDEDLO Cc1cc(OC[C@H](O)C[N@H+](C)CCC#N)ccc1[N+](=O)[O-] ZINC000414141319 362923485 /nfs/dbraw/zinc/92/34/85/362923485.db2.gz MCMKVIBHIHHPPR-GFCCVEGCSA-N 1 2 293.323 1.488 20 30 CDEDLO Cc1cc(OC[C@H](O)C[N@@H+](C)CCC#N)ccc1[N+](=O)[O-] ZINC000414141319 362923490 /nfs/dbraw/zinc/92/34/90/362923490.db2.gz MCMKVIBHIHHPPR-GFCCVEGCSA-N 1 2 293.323 1.488 20 30 CDEDLO Cc1cc(OC[C@@H](O)C[N@H+](C)CCC#N)ccc1F ZINC000414119177 362926115 /nfs/dbraw/zinc/92/61/15/362926115.db2.gz CJRBQXMCHOUXCL-LBPRGKRZSA-N 1 2 266.316 1.719 20 30 CDEDLO Cc1cc(OC[C@@H](O)C[N@@H+](C)CCC#N)ccc1F ZINC000414119177 362926117 /nfs/dbraw/zinc/92/61/17/362926117.db2.gz CJRBQXMCHOUXCL-LBPRGKRZSA-N 1 2 266.316 1.719 20 30 CDEDLO Cc1ccc([N+](=O)[O-])c(OC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000414138883 362923175 /nfs/dbraw/zinc/92/31/75/362923175.db2.gz KIYBPFHLPNDCDK-LBPRGKRZSA-N 1 2 293.323 1.488 20 30 CDEDLO Cc1ccc([N+](=O)[O-])c(OC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414138883 362923178 /nfs/dbraw/zinc/92/31/78/362923178.db2.gz KIYBPFHLPNDCDK-LBPRGKRZSA-N 1 2 293.323 1.488 20 30 CDEDLO C=CCNC(=O)[C@H](C)Sc1[nH+]cnc2c1cnn2C ZINC000011685494 348518206 /nfs/dbraw/zinc/51/82/06/348518206.db2.gz UBZWQGYALHHKAI-QMMMGPOBSA-N 1 2 277.353 1.146 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000042249921 348721281 /nfs/dbraw/zinc/72/12/81/348721281.db2.gz FUATYKXQBBKYIO-ZDUSSCGKSA-N 1 2 289.354 1.086 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000064442162 348941239 /nfs/dbraw/zinc/94/12/39/348941239.db2.gz KJXJXUOIGVEFNP-UHFFFAOYSA-N 1 2 282.347 1.344 20 30 CDEDLO COC(=O)c1cccc(OCC[N@H+](C)C[C@@H](C)C#N)c1 ZINC000063563451 348926801 /nfs/dbraw/zinc/92/68/01/348926801.db2.gz HHISRZUGETYBBD-LBPRGKRZSA-N 1 2 276.336 1.943 20 30 CDEDLO COC(=O)c1cccc(OCC[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000063563451 348926804 /nfs/dbraw/zinc/92/68/04/348926804.db2.gz HHISRZUGETYBBD-LBPRGKRZSA-N 1 2 276.336 1.943 20 30 CDEDLO Cc1occc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000414363491 362935979 /nfs/dbraw/zinc/93/59/79/362935979.db2.gz GPGAMSOPFOFSRU-UHFFFAOYSA-N 1 2 277.368 1.636 20 30 CDEDLO N#CCOc1ccc(/C=C\C(=O)NCCn2cc[nH+]c2)cc1 ZINC000070752499 349114002 /nfs/dbraw/zinc/11/40/02/349114002.db2.gz AMHYHJUGPNISHG-UTCJRWHESA-N 1 2 296.330 1.615 20 30 CDEDLO C=CCCS(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000131051238 187537766 /nfs/dbraw/zinc/53/77/66/187537766.db2.gz JIAWKQOGQHCNBL-UHFFFAOYSA-N 1 2 269.370 1.426 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000131151597 187544725 /nfs/dbraw/zinc/54/47/25/187544725.db2.gz HQBQSEMUGCSMPR-KBPBESRZSA-N 1 2 280.412 1.980 20 30 CDEDLO Cc1nonc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292377557 198264665 /nfs/dbraw/zinc/26/46/65/198264665.db2.gz YXHDTANCXFSVOF-LBPRGKRZSA-N 1 2 285.307 1.298 20 30 CDEDLO Cc1nonc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292377557 198264667 /nfs/dbraw/zinc/26/46/67/198264667.db2.gz YXHDTANCXFSVOF-LBPRGKRZSA-N 1 2 285.307 1.298 20 30 CDEDLO C[C@@H](O)C[C@H]1COCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000157086647 188297446 /nfs/dbraw/zinc/29/74/46/188297446.db2.gz KLHYPPNJSYQRGC-DOMZBBRYSA-N 1 2 260.337 1.530 20 30 CDEDLO C[C@@H](O)C[C@H]1COCC[N@H+]1Cc1cccc(C#N)c1 ZINC000157086647 188297447 /nfs/dbraw/zinc/29/74/47/188297447.db2.gz KLHYPPNJSYQRGC-DOMZBBRYSA-N 1 2 260.337 1.530 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN(C)[C@H](C(C)C)C1 ZINC000488004014 366090923 /nfs/dbraw/zinc/09/09/23/366090923.db2.gz VPAGQYCRIGFILJ-CVEARBPZSA-N 1 2 293.455 1.848 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN(C)[C@H](C(C)C)C1 ZINC000488004014 366090926 /nfs/dbraw/zinc/09/09/26/366090926.db2.gz VPAGQYCRIGFILJ-CVEARBPZSA-N 1 2 293.455 1.848 20 30 CDEDLO CC#CC[N@H+](C)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000293131454 198535053 /nfs/dbraw/zinc/53/50/53/198535053.db2.gz MVNWHEDEQPHHCS-CQSZACIVSA-N 1 2 281.377 1.079 20 30 CDEDLO CC#CC[N@@H+](C)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000293131454 198535055 /nfs/dbraw/zinc/53/50/55/198535055.db2.gz MVNWHEDEQPHHCS-CQSZACIVSA-N 1 2 281.377 1.079 20 30 CDEDLO Cc1ccc(/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C)o1 ZINC000492944795 366185649 /nfs/dbraw/zinc/18/56/49/366185649.db2.gz DJUYOLFNPPAIDR-HSBSLETESA-N 1 2 261.325 1.561 20 30 CDEDLO CCC[N@H+](CC(=O)NC)Cc1cccc(C#N)c1F ZINC000219518043 283101508 /nfs/dbraw/zinc/10/15/08/283101508.db2.gz AYUJWCOMVVZITQ-UHFFFAOYSA-N 1 2 263.316 1.655 20 30 CDEDLO CCC[N@@H+](CC(=O)NC)Cc1cccc(C#N)c1F ZINC000219518043 283101513 /nfs/dbraw/zinc/10/15/13/283101513.db2.gz AYUJWCOMVVZITQ-UHFFFAOYSA-N 1 2 263.316 1.655 20 30 CDEDLO Cc1cc[nH+]cc1N1CCN(c2nccc(C#N)n2)CC1 ZINC000577933731 356098347 /nfs/dbraw/zinc/09/83/47/356098347.db2.gz JIOZVJULJHUIJA-UHFFFAOYSA-N 1 2 280.335 1.378 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000336331078 356150821 /nfs/dbraw/zinc/15/08/21/356150821.db2.gz ZOCVHYFMMGDVKP-LLVKDONJSA-N 1 2 284.319 1.823 20 30 CDEDLO N#Cc1cc(C(=O)N2CCn3c[nH+]cc3C2)ccc1F ZINC000336482620 356190112 /nfs/dbraw/zinc/19/01/12/356190112.db2.gz IAQZODRGMBWXSA-UHFFFAOYSA-N 1 2 270.267 1.550 20 30 CDEDLO Cc1cnccc1/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000493399751 366338842 /nfs/dbraw/zinc/33/88/42/366338842.db2.gz ZNMSPYAXLMIQAB-NFAHFFEMSA-N 1 2 272.352 1.363 20 30 CDEDLO C=CCCOCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000143669776 356717600 /nfs/dbraw/zinc/71/76/00/356717600.db2.gz FYEBLYWAYZPBMF-UHFFFAOYSA-N 1 2 278.352 1.517 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000048336724 356789496 /nfs/dbraw/zinc/78/94/96/356789496.db2.gz RIRMWJLCAWWHQK-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000299388074 357056441 /nfs/dbraw/zinc/05/64/41/357056441.db2.gz TVVBZSIKLKVKCI-RBSFLKMASA-N 1 2 260.381 1.638 20 30 CDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290643939 357240440 /nfs/dbraw/zinc/24/04/40/357240440.db2.gz ADRHSIREMGUTFW-GFCCVEGCSA-N 1 2 296.330 1.564 20 30 CDEDLO CCNC(=O)C[N@H+](CC)Cc1ccc(C#N)s1 ZINC000119332224 357432964 /nfs/dbraw/zinc/43/29/64/357432964.db2.gz FOLLMNFXRUDMAS-UHFFFAOYSA-N 1 2 251.355 1.578 20 30 CDEDLO CCNC(=O)C[N@@H+](CC)Cc1ccc(C#N)s1 ZINC000119332224 357432971 /nfs/dbraw/zinc/43/29/71/357432971.db2.gz FOLLMNFXRUDMAS-UHFFFAOYSA-N 1 2 251.355 1.578 20 30 CDEDLO C[C@H](CNc1nc2c(cc1C#N)CCC2)[NH+]1CCOCC1 ZINC000298725459 357448947 /nfs/dbraw/zinc/44/89/47/357448947.db2.gz MRZXWEAOBPAIAR-GFCCVEGCSA-N 1 2 286.379 1.575 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286631222 357612024 /nfs/dbraw/zinc/61/20/24/357612024.db2.gz SPZRDBGPAXKNPO-KFWWJZLASA-N 1 2 288.347 1.618 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000286631222 357612028 /nfs/dbraw/zinc/61/20/28/357612028.db2.gz SPZRDBGPAXKNPO-KFWWJZLASA-N 1 2 288.347 1.618 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2ccc(C#N)cc2OC)C[C@H](C)O1 ZINC000189456424 358012938 /nfs/dbraw/zinc/01/29/38/358012938.db2.gz APGQWOXCTRFLTR-SWLSCSKDSA-N 1 2 290.363 1.803 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2OC)C[C@H](C)O1 ZINC000189456424 358012939 /nfs/dbraw/zinc/01/29/39/358012939.db2.gz APGQWOXCTRFLTR-SWLSCSKDSA-N 1 2 290.363 1.803 20 30 CDEDLO CC[C@@H](C(N)=O)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000080908512 358108246 /nfs/dbraw/zinc/10/82/46/358108246.db2.gz HPRVSSIJAGCGAN-GJZGRUSLSA-N 1 2 286.379 1.133 20 30 CDEDLO N#Cc1ccc(CN2CCC[C@@H]([NH+]3CCOCC3)C2)nc1 ZINC000566627934 358226062 /nfs/dbraw/zinc/22/60/62/358226062.db2.gz BXOVAJHFNRSQKQ-MRXNPFEDSA-N 1 2 286.379 1.250 20 30 CDEDLO COC(=O)c1ccc(C[N@H+](C)CCC#N)cc1F ZINC000089138880 358392853 /nfs/dbraw/zinc/39/28/53/358392853.db2.gz OBWOGFYVIOQBAV-UHFFFAOYSA-N 1 2 250.273 1.958 20 30 CDEDLO COC(=O)c1ccc(C[N@@H+](C)CCC#N)cc1F ZINC000089138880 358392856 /nfs/dbraw/zinc/39/28/56/358392856.db2.gz OBWOGFYVIOQBAV-UHFFFAOYSA-N 1 2 250.273 1.958 20 30 CDEDLO Cc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148847 358587636 /nfs/dbraw/zinc/58/76/36/358587636.db2.gz DBRNPZULSNANFM-MRXNPFEDSA-N 1 2 287.363 1.592 20 30 CDEDLO Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148847 358587637 /nfs/dbraw/zinc/58/76/37/358587637.db2.gz DBRNPZULSNANFM-MRXNPFEDSA-N 1 2 287.363 1.592 20 30 CDEDLO N#Cc1cnc(N2CCN(c3cccc[nH+]3)CC2)c(F)c1 ZINC000413024942 358750278 /nfs/dbraw/zinc/75/02/78/358750278.db2.gz OQASZRCOACMDGS-UHFFFAOYSA-N 1 2 283.310 1.814 20 30 CDEDLO C=C[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000354839169 358781457 /nfs/dbraw/zinc/78/14/57/358781457.db2.gz GHEBKCDUMZZRNZ-WCQYABFASA-N 1 2 252.358 1.321 20 30 CDEDLO C=C[C@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000354839169 358781460 /nfs/dbraw/zinc/78/14/60/358781460.db2.gz GHEBKCDUMZZRNZ-WCQYABFASA-N 1 2 252.358 1.321 20 30 CDEDLO CCCCOCCNC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057872700 358800408 /nfs/dbraw/zinc/80/04/08/358800408.db2.gz MSAFADWQWHTPRP-UHFFFAOYSA-N 1 2 267.373 1.155 20 30 CDEDLO CC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000290375652 366482290 /nfs/dbraw/zinc/48/22/90/366482290.db2.gz RMMKCJABNGUTKV-UHFFFAOYSA-N 1 2 293.392 1.459 20 30 CDEDLO COCC[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000291247119 358901948 /nfs/dbraw/zinc/90/19/48/358901948.db2.gz LPEQXDYPXIITIK-LLVKDONJSA-N 1 2 266.366 1.857 20 30 CDEDLO COCC[C@@H]1COCC[N@H+]1Cc1ccc(C#N)s1 ZINC000291247119 358901952 /nfs/dbraw/zinc/90/19/52/358901952.db2.gz LPEQXDYPXIITIK-LLVKDONJSA-N 1 2 266.366 1.857 20 30 CDEDLO CCOC(=O)N[C@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000494609331 366507355 /nfs/dbraw/zinc/50/73/55/366507355.db2.gz YVVQVPULKCORDS-NSHDSACASA-N 1 2 251.330 1.501 20 30 CDEDLO CCOC(=O)N[C@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000494609331 366507362 /nfs/dbraw/zinc/50/73/62/366507362.db2.gz YVVQVPULKCORDS-NSHDSACASA-N 1 2 251.330 1.501 20 30 CDEDLO COCC[C@@H]1COCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000291280868 358907742 /nfs/dbraw/zinc/90/77/42/358907742.db2.gz OQFHKSIYAUQPJZ-CYBMUJFWSA-N 1 2 263.341 1.134 20 30 CDEDLO COCC[C@@H]1COCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000291280868 358907751 /nfs/dbraw/zinc/90/77/51/358907751.db2.gz OQFHKSIYAUQPJZ-CYBMUJFWSA-N 1 2 263.341 1.134 20 30 CDEDLO COC(=O)[C@@H]1CC[N@H+](CCC(C)(C)C#N)[C@@H](C(=O)OC)C1 ZINC000346963435 359113084 /nfs/dbraw/zinc/11/30/84/359113084.db2.gz MQWXEXVNDKUTCX-VXGBXAGGSA-N 1 2 296.367 1.353 20 30 CDEDLO COC(=O)[C@@H]1CC[N@@H+](CCC(C)(C)C#N)[C@@H](C(=O)OC)C1 ZINC000346963435 359113088 /nfs/dbraw/zinc/11/30/88/359113088.db2.gz MQWXEXVNDKUTCX-VXGBXAGGSA-N 1 2 296.367 1.353 20 30 CDEDLO C=C(Cl)CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000265539984 359330222 /nfs/dbraw/zinc/33/02/22/359330222.db2.gz FRRURDVPUKWELG-UHFFFAOYSA-N 1 2 275.780 1.149 20 30 CDEDLO C=C(Cl)CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000265539984 359330233 /nfs/dbraw/zinc/33/02/33/359330233.db2.gz FRRURDVPUKWELG-UHFFFAOYSA-N 1 2 275.780 1.149 20 30 CDEDLO C#CC[N@@H+](CC)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000266902674 359347519 /nfs/dbraw/zinc/34/75/19/359347519.db2.gz GXSKQZOJUSOHBA-LBPRGKRZSA-N 1 2 290.363 1.944 20 30 CDEDLO C#CC[N@H+](CC)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000266902674 359347524 /nfs/dbraw/zinc/34/75/24/359347524.db2.gz GXSKQZOJUSOHBA-LBPRGKRZSA-N 1 2 290.363 1.944 20 30 CDEDLO C#CCC[N@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000270631250 359408004 /nfs/dbraw/zinc/40/80/04/359408004.db2.gz QKUSKYKPOROZRQ-STQMWFEESA-N 1 2 265.378 1.896 20 30 CDEDLO C#CCC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000270631250 359408008 /nfs/dbraw/zinc/40/80/08/359408008.db2.gz QKUSKYKPOROZRQ-STQMWFEESA-N 1 2 265.378 1.896 20 30 CDEDLO C=CC[N@@H+](CCc1ccco1)CCS(C)(=O)=O ZINC000272325777 359453319 /nfs/dbraw/zinc/45/33/19/359453319.db2.gz VFEORMFSMMROMK-UHFFFAOYSA-N 1 2 257.355 1.355 20 30 CDEDLO C=CC[N@H+](CCc1ccco1)CCS(C)(=O)=O ZINC000272325777 359453321 /nfs/dbraw/zinc/45/33/21/359453321.db2.gz VFEORMFSMMROMK-UHFFFAOYSA-N 1 2 257.355 1.355 20 30 CDEDLO C#CC[NH+]1CCN(c2nc(CC(C)C)ns2)CC1 ZINC000274583850 359510366 /nfs/dbraw/zinc/51/03/66/359510366.db2.gz HPLMLPIDFHTDSD-UHFFFAOYSA-N 1 2 264.398 1.492 20 30 CDEDLO CC#CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000277747180 359571338 /nfs/dbraw/zinc/57/13/38/359571338.db2.gz RGOJOAURSRKLBG-UHFFFAOYSA-N 1 2 258.321 1.060 20 30 CDEDLO N#Cc1c(Cl)cccc1S(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000571816568 359617911 /nfs/dbraw/zinc/61/79/11/359617911.db2.gz KIMBINVXHFQCGL-UHFFFAOYSA-N 1 2 282.712 1.736 20 30 CDEDLO CC(C)COC(=O)N1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000495720628 366536217 /nfs/dbraw/zinc/53/62/17/366536217.db2.gz NMMWKNURVXHWJH-ZDUSSCGKSA-N 1 2 283.372 1.325 20 30 CDEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)cc2C)CCO1 ZINC000166228683 359782915 /nfs/dbraw/zinc/78/29/15/359782915.db2.gz YXJNLLRUELLGAW-CQSZACIVSA-N 1 2 274.320 1.241 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C)CCO1 ZINC000166228683 359782918 /nfs/dbraw/zinc/78/29/18/359782918.db2.gz YXJNLLRUELLGAW-CQSZACIVSA-N 1 2 274.320 1.241 20 30 CDEDLO CC[N@H+](CCC#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495855326 366541215 /nfs/dbraw/zinc/54/12/15/366541215.db2.gz PPURETYQGXTEGQ-UHFFFAOYSA-N 1 2 253.346 1.841 20 30 CDEDLO CC[N@@H+](CCC#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495855326 366541223 /nfs/dbraw/zinc/54/12/23/366541223.db2.gz PPURETYQGXTEGQ-UHFFFAOYSA-N 1 2 253.346 1.841 20 30 CDEDLO COC(=O)c1ccc(N[C@H](C)Cn2cc[nH+]c2)c(C#N)n1 ZINC000573020595 363694213 /nfs/dbraw/zinc/69/42/13/363694213.db2.gz PQMCTRIYPJLQQL-SNVBAGLBSA-N 1 2 285.307 1.437 20 30 CDEDLO C#C[C@@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C(C)C ZINC000297883449 200299157 /nfs/dbraw/zinc/29/91/57/200299157.db2.gz GXSGEJZKTWHZGM-QWHCGFSZSA-N 1 2 274.368 1.957 20 30 CDEDLO C=CCN1CC[C@@H](N(C)Cc2[nH+]ccn2CC)C1=O ZINC000337234705 360048119 /nfs/dbraw/zinc/04/81/19/360048119.db2.gz XCEMNSARAJANLZ-GFCCVEGCSA-N 1 2 262.357 1.122 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1cccnc1 ZINC000348362932 360027572 /nfs/dbraw/zinc/02/75/72/360027572.db2.gz CZZUZMMRLGIVJL-XJKSGUPXSA-N 1 2 288.395 1.956 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC000348362932 360027577 /nfs/dbraw/zinc/02/75/77/360027577.db2.gz CZZUZMMRLGIVJL-XJKSGUPXSA-N 1 2 288.395 1.956 20 30 CDEDLO CC[C@@H](C)[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC(=O)OC ZINC000337221654 360035601 /nfs/dbraw/zinc/03/56/01/360035601.db2.gz CKRXIBRYZTYFHU-IUODEOHRSA-N 1 2 297.399 1.314 20 30 CDEDLO CC[C@@H](C)[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC(=O)OC ZINC000337221654 360035604 /nfs/dbraw/zinc/03/56/04/360035604.db2.gz CKRXIBRYZTYFHU-IUODEOHRSA-N 1 2 297.399 1.314 20 30 CDEDLO C=CCOc1ccc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000337402824 360109508 /nfs/dbraw/zinc/10/95/08/360109508.db2.gz MABKBFCMBIFJEG-OAHLLOKOSA-N 1 2 295.404 1.870 20 30 CDEDLO C=CCOc1ccc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000337402824 360109516 /nfs/dbraw/zinc/10/95/16/360109516.db2.gz MABKBFCMBIFJEG-OAHLLOKOSA-N 1 2 295.404 1.870 20 30 CDEDLO C=C(C)CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000156387496 360575196 /nfs/dbraw/zinc/57/51/96/360575196.db2.gz AOWHLTKDHPOVTE-UHFFFAOYSA-N 1 2 260.341 1.489 20 30 CDEDLO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CCC#N)C1 ZINC000428781820 360724877 /nfs/dbraw/zinc/72/48/77/360724877.db2.gz KJJATKUXKXNDTQ-OAHLLOKOSA-N 1 2 258.321 1.717 20 30 CDEDLO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CCC#N)C1 ZINC000428781820 360724880 /nfs/dbraw/zinc/72/48/80/360724880.db2.gz KJJATKUXKXNDTQ-OAHLLOKOSA-N 1 2 258.321 1.717 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1[C@H](C)COC[C@H]1C ZINC000246888141 360959137 /nfs/dbraw/zinc/95/91/37/360959137.db2.gz GFHFOQIRBHEAFA-JHJVBQTASA-N 1 2 267.373 1.104 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000335855790 360985296 /nfs/dbraw/zinc/98/52/96/360985296.db2.gz VKCBLAXDJXMPIG-DGCLKSJQSA-N 1 2 261.325 1.207 20 30 CDEDLO C=CCNc1ncc(C(=O)N(C)Cc2[nH]cc[nH+]2)s1 ZINC000432928589 361200544 /nfs/dbraw/zinc/20/05/44/361200544.db2.gz NJLUAHINRQWZJZ-UHFFFAOYSA-N 1 2 277.353 1.158 20 30 CDEDLO C[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C#N)C1 ZINC000433310141 361231019 /nfs/dbraw/zinc/23/10/19/361231019.db2.gz ATOCPKCGEIVRMX-GFCCVEGCSA-N 1 2 251.374 1.726 20 30 CDEDLO C[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C#N)C1 ZINC000433310141 361231023 /nfs/dbraw/zinc/23/10/23/361231023.db2.gz ATOCPKCGEIVRMX-GFCCVEGCSA-N 1 2 251.374 1.726 20 30 CDEDLO COC(=O)C[N@H+](CCOc1ccccc1C#N)C1CC1 ZINC000267730731 361383493 /nfs/dbraw/zinc/38/34/93/361383493.db2.gz PVRIGVJCEXHLOL-UHFFFAOYSA-N 1 2 274.320 1.574 20 30 CDEDLO COC(=O)C[N@@H+](CCOc1ccccc1C#N)C1CC1 ZINC000267730731 361383497 /nfs/dbraw/zinc/38/34/97/361383497.db2.gz PVRIGVJCEXHLOL-UHFFFAOYSA-N 1 2 274.320 1.574 20 30 CDEDLO Cc1c(C(=O)N[C@H]2CCn3cc[nH+]c3C2)nnn1C(C)C ZINC000329000581 361437880 /nfs/dbraw/zinc/43/78/80/361437880.db2.gz HLDPHXDCIOALIU-NSHDSACASA-N 1 2 288.355 1.684 20 30 CDEDLO CC[C@@H]1CN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CCCO1 ZINC000329352431 361486880 /nfs/dbraw/zinc/48/68/80/361486880.db2.gz FTRXZOGYVCNCJA-ZIAGYGMSSA-N 1 2 299.415 1.122 20 30 CDEDLO CNc1ccc(C#N)cc1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000582303688 364084466 /nfs/dbraw/zinc/08/44/66/364084466.db2.gz IWYPZHANCKSODW-LBPRGKRZSA-N 1 2 295.346 1.998 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2CCC#N)O1 ZINC000374572802 370728824 /nfs/dbraw/zinc/72/88/24/370728824.db2.gz RBTNZJAJUQKSEL-USZNOCQGSA-N 1 2 252.314 1.083 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2CCC#N)O1 ZINC000374572802 370728829 /nfs/dbraw/zinc/72/88/29/370728829.db2.gz RBTNZJAJUQKSEL-USZNOCQGSA-N 1 2 252.314 1.083 20 30 CDEDLO C[C@H](C#N)OCC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000496476489 366836096 /nfs/dbraw/zinc/83/60/96/366836096.db2.gz QTKYUOAIDXQFNO-QWHCGFSZSA-N 1 2 297.399 1.856 20 30 CDEDLO C[C@H](C#N)OCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000496476489 366836104 /nfs/dbraw/zinc/83/61/04/366836104.db2.gz QTKYUOAIDXQFNO-QWHCGFSZSA-N 1 2 297.399 1.856 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@H]1C ZINC000639689252 364410128 /nfs/dbraw/zinc/41/01/28/364410128.db2.gz YJQBKUZCTLHMEB-MGPQQGTHSA-N 1 2 295.427 1.351 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@H]1C ZINC000639689252 364410129 /nfs/dbraw/zinc/41/01/29/364410129.db2.gz YJQBKUZCTLHMEB-MGPQQGTHSA-N 1 2 295.427 1.351 20 30 CDEDLO CN(C)C(=O)N1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000334386488 364474511 /nfs/dbraw/zinc/47/45/11/364474511.db2.gz NUPPTCHDTWODLH-UHFFFAOYSA-N 1 2 286.379 1.552 20 30 CDEDLO Cc1oncc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000249410999 364687863 /nfs/dbraw/zinc/68/78/63/364687863.db2.gz XZPXMQXKGAHUNS-LLVKDONJSA-N 1 2 298.350 1.355 20 30 CDEDLO Cc1oncc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000249410999 364687868 /nfs/dbraw/zinc/68/78/68/364687868.db2.gz XZPXMQXKGAHUNS-LLVKDONJSA-N 1 2 298.350 1.355 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2nc(C)cs2)nn1 ZINC000641064298 364923491 /nfs/dbraw/zinc/92/34/91/364923491.db2.gz OKOOLFUFHQTFQZ-UHFFFAOYSA-N 1 2 261.354 1.204 20 30 CDEDLO N#Cc1cccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)n1 ZINC000564328643 365414945 /nfs/dbraw/zinc/41/49/45/365414945.db2.gz OFSAPTZKFRFTDN-CYBMUJFWSA-N 1 2 296.334 1.846 20 30 CDEDLO Cn1c[nH+]cc1CS(=O)(=O)CCC(C)(C)C#N ZINC000567097214 370878965 /nfs/dbraw/zinc/87/89/65/370878965.db2.gz QOLMXLRMGOFEPG-UHFFFAOYSA-N 1 2 255.343 1.275 20 30 CDEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000154285602 370913697 /nfs/dbraw/zinc/91/36/97/370913697.db2.gz CEYJBXZCZLUWEK-CHWSQXEVSA-N 1 2 297.395 1.931 20 30 CDEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000154285602 370913702 /nfs/dbraw/zinc/91/37/02/370913702.db2.gz CEYJBXZCZLUWEK-CHWSQXEVSA-N 1 2 297.395 1.931 20 30 CDEDLO C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000330877113 203341482 /nfs/dbraw/zinc/34/14/82/203341482.db2.gz WAXANLCPFMFWAJ-BETUJISGSA-N 1 2 287.363 1.284 20 30 CDEDLO C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000330877113 203341488 /nfs/dbraw/zinc/34/14/88/203341488.db2.gz WAXANLCPFMFWAJ-BETUJISGSA-N 1 2 287.363 1.284 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000276212863 193243855 /nfs/dbraw/zinc/24/38/55/193243855.db2.gz LHCVESHAQMPQPP-UKRRQHHQSA-N 1 2 279.384 1.864 20 30 CDEDLO C#CC[N@H+](Cc1nnnn1CCCC)C1CCCC1 ZINC000490819903 261216239 /nfs/dbraw/zinc/21/62/39/261216239.db2.gz LJEQVIDYFZDVGD-UHFFFAOYSA-N 1 2 261.373 1.851 20 30 CDEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488991121 284201186 /nfs/dbraw/zinc/20/11/86/284201186.db2.gz WVSKTCBGYRSIRR-GJZGRUSLSA-N 1 2 288.347 1.365 20 30 CDEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488991121 284201189 /nfs/dbraw/zinc/20/11/89/284201189.db2.gz WVSKTCBGYRSIRR-GJZGRUSLSA-N 1 2 288.347 1.365 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1sccc1C#N ZINC000565051946 370339735 /nfs/dbraw/zinc/33/97/35/370339735.db2.gz SMUOYSBMAQJMOM-GFCCVEGCSA-N 1 2 262.338 1.193 20 30 CDEDLO COc1c(N)[nH+]cnc1N1CCC(CCC#N)CC1 ZINC000582430629 370625510 /nfs/dbraw/zinc/62/55/10/370625510.db2.gz CRFQBLVZPGEGHC-UHFFFAOYSA-N 1 2 261.329 1.588 20 30 CDEDLO COc1c(N)nc[nH+]c1N1CCC(CCC#N)CC1 ZINC000582430629 370625512 /nfs/dbraw/zinc/62/55/12/370625512.db2.gz CRFQBLVZPGEGHC-UHFFFAOYSA-N 1 2 261.329 1.588 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000296640063 371852683 /nfs/dbraw/zinc/85/26/83/371852683.db2.gz IGPWWDLTVBBJLT-AWEZNQCLSA-N 1 2 291.395 1.722 20 30 CDEDLO C=CCNC(=O)Cc1noc(Cc2ccc(C)[nH+]c2)n1 ZINC000350691989 372315396 /nfs/dbraw/zinc/31/53/96/372315396.db2.gz DYBCHLBULNNGKN-UHFFFAOYSA-N 1 2 272.308 1.209 20 30 CDEDLO CCC#C[C@H](C)[NH+]1CCN(CC(=O)NCCCC)CC1 ZINC000639901802 372329899 /nfs/dbraw/zinc/32/98/99/372329899.db2.gz GNFJQNHDXKCMBC-HNNXBMFYSA-N 1 2 279.428 1.322 20 30 CDEDLO CC(C)C[C@H](C)OCCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000578326756 372399973 /nfs/dbraw/zinc/39/99/73/372399973.db2.gz DKERIKZKPNISKQ-ZFWWWQNUSA-N 1 2 283.416 1.788 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CC#N)C1CCCC1 ZINC000579139661 372553745 /nfs/dbraw/zinc/55/37/45/372553745.db2.gz OAMVREZDQWGAHU-LLVKDONJSA-N 1 2 260.341 1.883 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CC#N)C1CCCC1 ZINC000579139661 372553752 /nfs/dbraw/zinc/55/37/52/372553752.db2.gz OAMVREZDQWGAHU-LLVKDONJSA-N 1 2 260.341 1.883 20 30 CDEDLO C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1cccc(F)c1 ZINC000579599006 372602235 /nfs/dbraw/zinc/60/22/35/372602235.db2.gz DLORLVCDECDASF-ABAIWWIYSA-N 1 2 277.343 1.889 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN(C)C[C@H]1CC ZINC000579802793 372639449 /nfs/dbraw/zinc/63/94/49/372639449.db2.gz PHMHCICFHKNJIA-CQSZACIVSA-N 1 2 267.417 1.437 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN(C)C[C@H]1CC ZINC000579802793 372639456 /nfs/dbraw/zinc/63/94/56/372639456.db2.gz PHMHCICFHKNJIA-CQSZACIVSA-N 1 2 267.417 1.437 20 30 CDEDLO C=CCCCC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000175231836 372674144 /nfs/dbraw/zinc/67/41/44/372674144.db2.gz KGIAPIYNWWEIPO-UHFFFAOYSA-N 1 2 289.379 1.891 20 30 CDEDLO Cc1cc(NC[C@@H]2CCCCS2(=O)=O)c(C#N)c[nH+]1 ZINC000333412758 205300118 /nfs/dbraw/zinc/30/01/18/205300118.db2.gz HNNYHOKEWVGFCR-LBPRGKRZSA-N 1 2 279.365 1.063 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc(C#N)cs1)CCO2 ZINC000355219246 373825081 /nfs/dbraw/zinc/82/50/81/373825081.db2.gz LRIRYDKCQLXBCC-FZMZJTMJSA-N 1 2 278.377 2.000 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc(C#N)cs1)CCO2 ZINC000355219246 373825088 /nfs/dbraw/zinc/82/50/88/373825088.db2.gz LRIRYDKCQLXBCC-FZMZJTMJSA-N 1 2 278.377 2.000 20 30 CDEDLO CC1(C)COCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000299144308 373890139 /nfs/dbraw/zinc/89/01/39/373890139.db2.gz VAULRNQIWXKADQ-UHFFFAOYSA-N 1 2 287.363 1.285 20 30 CDEDLO CC1(C)COCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000299144308 373890145 /nfs/dbraw/zinc/89/01/45/373890145.db2.gz VAULRNQIWXKADQ-UHFFFAOYSA-N 1 2 287.363 1.285 20 30 CDEDLO Cn1cc(C[NH+]2CCN(c3cccnc3C#N)CC2)cn1 ZINC000357237288 373899010 /nfs/dbraw/zinc/89/90/10/373899010.db2.gz KXLGXEPWOUVVNA-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO N#Cc1c(N)n[nH]c1CCCNc1cc(NC2CC2)nc[nH+]1 ZINC000413032277 374204100 /nfs/dbraw/zinc/20/41/00/374204100.db2.gz ZANCIDWVVCGSTB-UHFFFAOYSA-N 1 2 298.354 1.103 20 30 CDEDLO N#Cc1c(N)n[nH]c1CCCNc1cc(NC2CC2)[nH+]cn1 ZINC000413032277 374204105 /nfs/dbraw/zinc/20/41/05/374204105.db2.gz ZANCIDWVVCGSTB-UHFFFAOYSA-N 1 2 298.354 1.103 20 30 CDEDLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C[C@@H]1O ZINC000351812904 374279170 /nfs/dbraw/zinc/27/91/70/374279170.db2.gz FJNLMUGHDUYXSX-USWWRNFRSA-N 1 2 291.376 1.038 20 30 CDEDLO C[C@@H]1C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C[C@@H]1O ZINC000351812904 374279178 /nfs/dbraw/zinc/27/91/78/374279178.db2.gz FJNLMUGHDUYXSX-USWWRNFRSA-N 1 2 291.376 1.038 20 30 CDEDLO C[N@H+](Cc1ccco1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115531751 374411781 /nfs/dbraw/zinc/41/17/81/374411781.db2.gz UZYMZJAMRCHTHQ-AWEZNQCLSA-N 1 2 269.304 1.810 20 30 CDEDLO C[N@@H+](Cc1ccco1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115531751 374411787 /nfs/dbraw/zinc/41/17/87/374411787.db2.gz UZYMZJAMRCHTHQ-AWEZNQCLSA-N 1 2 269.304 1.810 20 30 CDEDLO C[C@H]1CC[N@H+](CCOc2ccccc2C#N)CC[S@@]1=O ZINC000277223769 374778415 /nfs/dbraw/zinc/77/84/15/374778415.db2.gz ODVLIFXTJSANRK-RBZFPXEDSA-N 1 2 292.404 1.780 20 30 CDEDLO C[C@H]1CC[N@@H+](CCOc2ccccc2C#N)CC[S@@]1=O ZINC000277223769 374778422 /nfs/dbraw/zinc/77/84/22/374778422.db2.gz ODVLIFXTJSANRK-RBZFPXEDSA-N 1 2 292.404 1.780 20 30 CDEDLO CC[N@H+](Cc1cccc(C#N)c1F)[C@H]1CCNC1=O ZINC000331272713 374920296 /nfs/dbraw/zinc/92/02/96/374920296.db2.gz AMMVMSGAZKWFCF-LBPRGKRZSA-N 1 2 261.300 1.408 20 30 CDEDLO CC[N@@H+](Cc1cccc(C#N)c1F)[C@H]1CCNC1=O ZINC000331272713 374920299 /nfs/dbraw/zinc/92/02/99/374920299.db2.gz AMMVMSGAZKWFCF-LBPRGKRZSA-N 1 2 261.300 1.408 20 30 CDEDLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccccc1C#N)CCO2 ZINC000280609473 375006076 /nfs/dbraw/zinc/00/60/76/375006076.db2.gz XOPJBCHIYOTMJC-CJNGLKHVSA-N 1 2 272.348 1.938 20 30 CDEDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccccc1C#N)CCO2 ZINC000280609473 375006082 /nfs/dbraw/zinc/00/60/82/375006082.db2.gz XOPJBCHIYOTMJC-CJNGLKHVSA-N 1 2 272.348 1.938 20 30 CDEDLO COc1cc(C[NH+]2CCN(CC(F)F)CC2)ccc1C#N ZINC000282247110 375075955 /nfs/dbraw/zinc/07/59/55/375075955.db2.gz JJHIHYBUHNVMCK-UHFFFAOYSA-N 1 2 295.333 1.950 20 30 CDEDLO COc1cc(C[N@@H+]2CCN(C(C)=O)C[C@@H]2C)ccc1C#N ZINC000282133996 375066598 /nfs/dbraw/zinc/06/65/98/375066598.db2.gz BOBKUJDDYMVPQM-LBPRGKRZSA-N 1 2 287.363 1.619 20 30 CDEDLO COc1cc(C[N@H+]2CCN(C(C)=O)C[C@@H]2C)ccc1C#N ZINC000282133996 375066604 /nfs/dbraw/zinc/06/66/04/375066604.db2.gz BOBKUJDDYMVPQM-LBPRGKRZSA-N 1 2 287.363 1.619 20 30 CDEDLO Cc1nsc(NC(=O)NCc2[nH+]ccn2C)c1C#N ZINC000294079610 375155287 /nfs/dbraw/zinc/15/52/87/375155287.db2.gz AAGPYKYCUCSACG-UHFFFAOYSA-N 1 2 276.325 1.378 20 30 CDEDLO CC#CC[NH+]1CCN(CCOc2cccc(OC)c2)CC1 ZINC000164510210 375198966 /nfs/dbraw/zinc/19/89/66/375198966.db2.gz VYBQIQUQXRUHCT-UHFFFAOYSA-N 1 2 288.391 1.715 20 30 CDEDLO N#Cc1cccc(CNC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000493355703 375447577 /nfs/dbraw/zinc/44/75/77/375447577.db2.gz QOGOTFMRIUNLKF-PLNGDYQASA-N 1 2 252.277 1.611 20 30 CDEDLO N#Cc1ncn(CC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)n1 ZINC000426415559 247019753 /nfs/dbraw/zinc/01/97/53/247019753.db2.gz ZXLHWUIPLYRDKG-UHFFFAOYSA-N 1 2 293.290 1.179 20 30 CDEDLO C[C@@H](CN1CCCC1=O)NC(=O)CCc1c[nH+]cn1C ZINC000328826231 375968442 /nfs/dbraw/zinc/96/84/42/375968442.db2.gz JELULHXKCGAZFV-NSHDSACASA-N 1 2 278.356 1.320 20 30 CDEDLO CN(CC(=O)Nc1ccc(C#N)cc1)Cc1[nH+]ccn1C ZINC000059382813 375932719 /nfs/dbraw/zinc/93/27/19/375932719.db2.gz LAJRJGDSCGITAF-UHFFFAOYSA-N 1 2 283.335 1.362 20 30 CDEDLO C=CCCC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000195199933 375996290 /nfs/dbraw/zinc/99/62/90/375996290.db2.gz UOTASDQNDXJXFZ-UHFFFAOYSA-N 1 2 296.411 1.339 20 30 CDEDLO CCC[N@@H+]1CCC[C@@H]1C(=O)N=c1cc(C)n(CCC#N)[nH]1 ZINC000330593911 376286881 /nfs/dbraw/zinc/28/68/81/376286881.db2.gz SQAMNLLHIUIDAG-CYBMUJFWSA-N 1 2 289.383 1.340 20 30 CDEDLO CCC[N@H+]1CCC[C@@H]1C(=O)N=c1cc(C)n(CCC#N)[nH]1 ZINC000330593911 376286886 /nfs/dbraw/zinc/28/68/86/376286886.db2.gz SQAMNLLHIUIDAG-CYBMUJFWSA-N 1 2 289.383 1.340 20 30 CDEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000375697212 376481842 /nfs/dbraw/zinc/48/18/42/376481842.db2.gz MBWQQOHXNWVVOM-MNOVXSKESA-N 1 2 297.384 1.025 20 30 CDEDLO C=C1CC[NH+]([C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000264682567 190128442 /nfs/dbraw/zinc/12/84/42/190128442.db2.gz DCVZUUGFRIXYNV-SNVBAGLBSA-N 1 2 262.275 1.802 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000249349899 377423359 /nfs/dbraw/zinc/42/33/59/377423359.db2.gz WHVLEDJSWLZESN-QWHCGFSZSA-N 1 2 252.358 1.296 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000249349899 377423365 /nfs/dbraw/zinc/42/33/65/377423365.db2.gz WHVLEDJSWLZESN-QWHCGFSZSA-N 1 2 252.358 1.296 20 30 CDEDLO Cc1nc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)ccc1C#N ZINC000172621911 377655822 /nfs/dbraw/zinc/65/58/22/377655822.db2.gz DZHISNPGKNMEPI-NSHDSACASA-N 1 2 283.335 1.524 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000280594597 377967814 /nfs/dbraw/zinc/96/78/14/377967814.db2.gz OIXROOBOSSQWDF-RDBSUJKOSA-N 1 2 292.383 1.552 20 30 CDEDLO C#CC[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000069414107 378079415 /nfs/dbraw/zinc/07/94/15/378079415.db2.gz JFCVFSCKQRATQL-UHFFFAOYSA-N 1 2 288.376 1.549 20 30 CDEDLO N#C[C@@H]1CC[C@H](Nc2cccc(C[N@@H+]3CCNC(=O)C3)c2)C1 ZINC000563845542 378282337 /nfs/dbraw/zinc/28/23/37/378282337.db2.gz NSBULAAUCGRAHX-CJNGLKHVSA-N 1 2 298.390 1.723 20 30 CDEDLO N#C[C@@H]1CC[C@H](Nc2cccc(C[N@H+]3CCNC(=O)C3)c2)C1 ZINC000563845542 378282344 /nfs/dbraw/zinc/28/23/44/378282344.db2.gz NSBULAAUCGRAHX-CJNGLKHVSA-N 1 2 298.390 1.723 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289975577 378357410 /nfs/dbraw/zinc/35/74/10/378357410.db2.gz RKMRFNXWCKJRCE-PWSUYJOCSA-N 1 2 282.775 1.474 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289975577 378357413 /nfs/dbraw/zinc/35/74/13/378357413.db2.gz RKMRFNXWCKJRCE-PWSUYJOCSA-N 1 2 282.775 1.474 20 30 CDEDLO C=CC[N@@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000064352938 378390576 /nfs/dbraw/zinc/39/05/76/378390576.db2.gz XCAZXSVPHMEQJB-UHFFFAOYSA-N 1 2 280.393 1.569 20 30 CDEDLO C=CC[N@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000064352938 378390582 /nfs/dbraw/zinc/39/05/82/378390582.db2.gz XCAZXSVPHMEQJB-UHFFFAOYSA-N 1 2 280.393 1.569 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 ZINC000290401055 378392535 /nfs/dbraw/zinc/39/25/35/378392535.db2.gz PIIUHPNDPBKEMJ-ZDUSSCGKSA-N 1 2 292.404 1.134 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 ZINC000290401055 378392543 /nfs/dbraw/zinc/39/25/43/378392543.db2.gz PIIUHPNDPBKEMJ-ZDUSSCGKSA-N 1 2 292.404 1.134 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000343349602 378803230 /nfs/dbraw/zinc/80/32/30/378803230.db2.gz AKTZZTSFCLUELZ-ZBFHGGJFSA-N 1 2 296.411 1.195 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000343349602 378803235 /nfs/dbraw/zinc/80/32/35/378803235.db2.gz AKTZZTSFCLUELZ-ZBFHGGJFSA-N 1 2 296.411 1.195 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343557005 378908001 /nfs/dbraw/zinc/90/80/01/378908001.db2.gz RTDIIBUJDVDLLW-RYUDHWBXSA-N 1 2 293.323 1.426 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343557005 378908006 /nfs/dbraw/zinc/90/80/06/378908006.db2.gz RTDIIBUJDVDLLW-RYUDHWBXSA-N 1 2 293.323 1.426 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000279239728 194347818 /nfs/dbraw/zinc/34/78/18/194347818.db2.gz QCYWGHYWSFAETA-AWEZNQCLSA-N 1 2 263.341 1.443 20 30 CDEDLO C#CC(C)(C)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000279317864 194383023 /nfs/dbraw/zinc/38/30/23/194383023.db2.gz RYVRNVPJYBANKQ-UHFFFAOYSA-N 1 2 290.388 1.676 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000279317864 194383025 /nfs/dbraw/zinc/38/30/25/194383025.db2.gz RYVRNVPJYBANKQ-UHFFFAOYSA-N 1 2 290.388 1.676 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000280864776 195006952 /nfs/dbraw/zinc/00/69/52/195006952.db2.gz XKCSXTAZAUIOCB-MRXNPFEDSA-N 1 2 292.379 1.993 20 30 CDEDLO Cc1cc(C#N)nc(NCC(C)(C)[NH+]2CCOCC2)n1 ZINC000280958720 195046667 /nfs/dbraw/zinc/04/66/67/195046667.db2.gz KPCMLSSUWAQZMS-UHFFFAOYSA-N 1 2 275.356 1.179 20 30 CDEDLO C#CCCCC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000191883169 533008545 /nfs/dbraw/zinc/00/85/45/533008545.db2.gz ZXJHWJCEXFJFTM-UHFFFAOYSA-N 1 2 271.364 1.529 20 30 CDEDLO C#C[C@@H](C)[NH2+]Cc1ncc(I)s1 ZINC000289333715 197301198 /nfs/dbraw/zinc/30/11/98/197301198.db2.gz GZBXKWDPMBDKLJ-ZCFIWIBFSA-N 1 2 292.145 1.859 20 30 CDEDLO C[C@@H](NC(=O)C1([NH+]2CCOCC2)CCC1)c1nncn1C ZINC000329129060 533099312 /nfs/dbraw/zinc/09/93/12/533099312.db2.gz VSYYONFDBNVFRI-LLVKDONJSA-N 1 2 293.371 1.088 20 30 CDEDLO C#CCOc1ccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000265928173 533183340 /nfs/dbraw/zinc/18/33/40/533183340.db2.gz FGUDYOPLSCFZAD-ZDUSSCGKSA-N 1 2 283.331 1.714 20 30 CDEDLO Cc1cc(N2CCC[C@@]3(CNC(=O)C3)C2)c(C#N)c[nH+]1 ZINC000425239111 291934809 /nfs/dbraw/zinc/93/48/09/291934809.db2.gz VWDQBFQRRWDHNF-OAHLLOKOSA-N 1 2 270.336 1.368 20 30 CDEDLO CC#CC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000283130893 195800346 /nfs/dbraw/zinc/80/03/46/195800346.db2.gz IPEFMIHXBQVHHS-AWEZNQCLSA-N 1 2 286.375 1.924 20 30 CDEDLO Cc1cccn2cc(CNC(=O)C3(C#N)CCC3)[nH+]c12 ZINC000134881085 390939510 /nfs/dbraw/zinc/93/95/10/390939510.db2.gz LNTDZIYXEYYGNW-UHFFFAOYSA-N 1 2 268.320 1.953 20 30 CDEDLO N#CCC[N@H+](CCC1OCCO1)Cc1ccccn1 ZINC000124568023 390915047 /nfs/dbraw/zinc/91/50/47/390915047.db2.gz PPCLPYLJMKWJEO-UHFFFAOYSA-N 1 2 261.325 1.560 20 30 CDEDLO N#CCC[N@@H+](CCC1OCCO1)Cc1ccccn1 ZINC000124568023 390915050 /nfs/dbraw/zinc/91/50/50/390915050.db2.gz PPCLPYLJMKWJEO-UHFFFAOYSA-N 1 2 261.325 1.560 20 30 CDEDLO C=CCCC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000154727361 390915308 /nfs/dbraw/zinc/91/53/08/390915308.db2.gz WYBLQGXARMKYJR-CQSZACIVSA-N 1 2 293.411 1.108 20 30 CDEDLO O=C(NC[C@@H]1CCC[C@H](O)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329487028 390996864 /nfs/dbraw/zinc/99/68/64/390996864.db2.gz TYUOZNBWVGGMBA-BZPMIXESSA-N 1 2 277.368 1.953 20 30 CDEDLO C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000185124013 391038003 /nfs/dbraw/zinc/03/80/03/391038003.db2.gz AKBFWVWAXMPPLX-MPBGBICISA-N 1 2 299.440 1.028 20 30 CDEDLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000185124013 391038010 /nfs/dbraw/zinc/03/80/10/391038010.db2.gz AKBFWVWAXMPPLX-MPBGBICISA-N 1 2 299.440 1.028 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000351231709 391059545 /nfs/dbraw/zinc/05/95/45/391059545.db2.gz WJEQEGCXCFVUDF-YPMHNXCESA-N 1 2 280.393 1.548 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000351231709 391059549 /nfs/dbraw/zinc/05/95/49/391059549.db2.gz WJEQEGCXCFVUDF-YPMHNXCESA-N 1 2 280.393 1.548 20 30 CDEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@@H]1CCCOC1 ZINC000329646192 391063671 /nfs/dbraw/zinc/06/36/71/391063671.db2.gz JMERGKUCQZFMHS-NWDGAFQWSA-N 1 2 278.356 1.443 20 30 CDEDLO Cc1noc(C2CC2)c1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000329647069 391063702 /nfs/dbraw/zinc/06/37/02/391063702.db2.gz BFNROFHYWDPECT-JTQLQIEISA-N 1 2 265.313 1.779 20 30 CDEDLO Cc1noc(C2CC2)c1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000329647069 391063704 /nfs/dbraw/zinc/06/37/04/391063704.db2.gz BFNROFHYWDPECT-JTQLQIEISA-N 1 2 265.313 1.779 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000373403507 391118625 /nfs/dbraw/zinc/11/86/25/391118625.db2.gz OPVYNCSBPZDORJ-HOCLYGCPSA-N 1 2 294.395 1.067 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000373403507 391118628 /nfs/dbraw/zinc/11/86/28/391118628.db2.gz OPVYNCSBPZDORJ-HOCLYGCPSA-N 1 2 294.395 1.067 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373584898 391123694 /nfs/dbraw/zinc/12/36/94/391123694.db2.gz WBJXWTNZBSVXBU-NEPJUHHUSA-N 1 2 260.341 1.454 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000352452346 391143463 /nfs/dbraw/zinc/14/34/63/391143463.db2.gz FDCASTWQASAMAB-SECBINFHSA-N 1 2 296.733 1.696 20 30 CDEDLO N#CC1(C(=O)N2CC[NH+](Cc3ccco3)CC2)CCC1 ZINC000265438392 391155514 /nfs/dbraw/zinc/15/55/14/391155514.db2.gz JIQQEXCOYGCQAH-UHFFFAOYSA-N 1 2 273.336 1.618 20 30 CDEDLO C#CCCCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376300738 391221555 /nfs/dbraw/zinc/22/15/55/391221555.db2.gz POSCHDHVTCSMIM-CABCVRRESA-N 1 2 293.411 1.295 20 30 CDEDLO CCC[C@@H](CC)[NH2+]CCNC(O)=C1N=CC=CC1=O ZINC000181964120 391229024 /nfs/dbraw/zinc/22/90/24/391229024.db2.gz UTXITZXEDTYPHX-LYZGCBJASA-N 1 2 265.357 1.681 20 30 CDEDLO C=CCOCC[NH2+][C@H](C(=O)OCC)[C@@H]1CCCOC1 ZINC000339081637 391251316 /nfs/dbraw/zinc/25/13/16/391251316.db2.gz RAXPLLIGZXDDRP-OLZOCXBDSA-N 1 2 271.357 1.137 20 30 CDEDLO CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000267364471 391192492 /nfs/dbraw/zinc/19/24/92/391192492.db2.gz AQVWFKMCYGWFMG-GFCCVEGCSA-N 1 2 283.335 1.935 20 30 CDEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)[C@@H](C)C#N)c1C ZINC000416379958 391281380 /nfs/dbraw/zinc/28/13/80/391281380.db2.gz BXMGPZIALLTHBU-JTQLQIEISA-N 1 2 297.380 1.381 20 30 CDEDLO C=C(C)[C@@H](CC(=O)Nc1cc[nH+]cc1O)OCC ZINC000339600892 391316309 /nfs/dbraw/zinc/31/63/09/391316309.db2.gz XNNWLBRHNCCVHD-GFCCVEGCSA-N 1 2 250.298 1.519 20 30 CDEDLO C=CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339678721 391322027 /nfs/dbraw/zinc/32/20/27/391322027.db2.gz SEHQZEWWSZCSNK-OAHLLOKOSA-N 1 2 288.391 1.922 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N(C)CC1CCCCC1 ZINC000339755978 391344707 /nfs/dbraw/zinc/34/47/07/391344707.db2.gz KOKLZRVJCDMUJQ-UHFFFAOYSA-N 1 2 250.386 1.980 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N(C)CC1CCCCC1 ZINC000339755978 391344710 /nfs/dbraw/zinc/34/47/10/391344710.db2.gz KOKLZRVJCDMUJQ-UHFFFAOYSA-N 1 2 250.386 1.980 20 30 CDEDLO CC[C@@H](C(=O)N(C)[C@@H](C)CC#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000330451484 391423909 /nfs/dbraw/zinc/42/39/09/391423909.db2.gz KGTWFQLLPNZNFQ-MJBXVCDLSA-N 1 2 281.400 1.636 20 30 CDEDLO CC[C@@H](C(=O)N(C)[C@@H](C)CC#N)[N@H+]1CCO[C@H](CC)C1 ZINC000330451484 391423914 /nfs/dbraw/zinc/42/39/14/391423914.db2.gz KGTWFQLLPNZNFQ-MJBXVCDLSA-N 1 2 281.400 1.636 20 30 CDEDLO C[C@H]1OCC[N@H+](CCCC(C)(C)C#N)[C@@H]1C(N)=O ZINC000330548062 391440712 /nfs/dbraw/zinc/44/07/12/391440712.db2.gz DBRCYSBWDGGHDB-MNOVXSKESA-N 1 2 253.346 1.941 20 30 CDEDLO C[C@H]1OCC[N@@H+](CCCC(C)(C)C#N)[C@@H]1C(N)=O ZINC000330548062 391440714 /nfs/dbraw/zinc/44/07/14/391440714.db2.gz DBRCYSBWDGGHDB-MNOVXSKESA-N 1 2 253.346 1.941 20 30 CDEDLO COc1ccc(F)cc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330616348 391459231 /nfs/dbraw/zinc/45/92/31/391459231.db2.gz DQMXPTFQAKDDER-NSHDSACASA-N 1 2 296.342 1.860 20 30 CDEDLO COc1ccc(F)cc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330616348 391459233 /nfs/dbraw/zinc/45/92/33/391459233.db2.gz DQMXPTFQAKDDER-NSHDSACASA-N 1 2 296.342 1.860 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cnn(C(C)(C)C)c1 ZINC000330622457 391460670 /nfs/dbraw/zinc/46/06/70/391460670.db2.gz NVIMYPREVGSJRK-GFCCVEGCSA-N 1 2 294.399 1.663 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cnn(C(C)(C)C)c1 ZINC000330622457 391460672 /nfs/dbraw/zinc/46/06/72/391460672.db2.gz NVIMYPREVGSJRK-GFCCVEGCSA-N 1 2 294.399 1.663 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000133355204 391642919 /nfs/dbraw/zinc/64/29/19/391642919.db2.gz USMDQSSIVZHHFE-KGLIPLIRSA-N 1 2 293.411 1.154 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000133355204 391642922 /nfs/dbraw/zinc/64/29/22/391642922.db2.gz USMDQSSIVZHHFE-KGLIPLIRSA-N 1 2 293.411 1.154 20 30 CDEDLO C=CCOCCC[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000412071373 391576432 /nfs/dbraw/zinc/57/64/32/391576432.db2.gz JLISTSQTCKRZAW-UHFFFAOYSA-N 1 2 251.330 1.972 20 30 CDEDLO C=CCOCCC[N@H+](C)Cc1noc(C2CC2)n1 ZINC000412071373 391576435 /nfs/dbraw/zinc/57/64/35/391576435.db2.gz JLISTSQTCKRZAW-UHFFFAOYSA-N 1 2 251.330 1.972 20 30 CDEDLO C=CCCS(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000360201955 391645982 /nfs/dbraw/zinc/64/59/82/391645982.db2.gz HKZFBCYAWDIINP-UHFFFAOYSA-N 1 2 258.387 1.062 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCN(C)C[C@@H]2c2ccccc2)C1=O ZINC000281960094 391666633 /nfs/dbraw/zinc/66/66/33/391666633.db2.gz KKCMRUWAAGRJSI-DLBZAZTESA-N 1 2 299.418 1.762 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCN(C)C[C@@H]2c2ccccc2)C1=O ZINC000281960094 391666635 /nfs/dbraw/zinc/66/66/35/391666635.db2.gz KKCMRUWAAGRJSI-DLBZAZTESA-N 1 2 299.418 1.762 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(C#N)ccc2F)C1=O ZINC000282060561 391670213 /nfs/dbraw/zinc/67/02/13/391670213.db2.gz SBNUHWGGQSPSPR-HNNXBMFYSA-N 1 2 287.338 1.916 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1=O ZINC000282060561 391670217 /nfs/dbraw/zinc/67/02/17/391670217.db2.gz SBNUHWGGQSPSPR-HNNXBMFYSA-N 1 2 287.338 1.916 20 30 CDEDLO CC[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329747834 391769284 /nfs/dbraw/zinc/76/92/84/391769284.db2.gz ZQIYWCRDOYDMQH-GHMZBOCLSA-N 1 2 262.357 1.913 20 30 CDEDLO CC[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329747834 391769288 /nfs/dbraw/zinc/76/92/88/391769288.db2.gz ZQIYWCRDOYDMQH-GHMZBOCLSA-N 1 2 262.357 1.913 20 30 CDEDLO Cc1nccc([NH+]=C([O-])NC[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000329815172 391783569 /nfs/dbraw/zinc/78/35/69/391783569.db2.gz DLRNYXIWKBZGQO-NSHDSACASA-N 1 2 286.339 1.570 20 30 CDEDLO CC1(CCNC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000329931451 391801813 /nfs/dbraw/zinc/80/18/13/391801813.db2.gz IFZAPCUFEKXFHD-LLVKDONJSA-N 1 2 262.357 1.892 20 30 CDEDLO CC1(CC[NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000329931451 391801815 /nfs/dbraw/zinc/80/18/15/391801815.db2.gz IFZAPCUFEKXFHD-LLVKDONJSA-N 1 2 262.357 1.892 20 30 CDEDLO C[C@@H]1OCC[C@]1(C)[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330268359 391815233 /nfs/dbraw/zinc/81/52/33/391815233.db2.gz IPOBJFQOAYGOOS-WDMOLILDSA-N 1 2 278.356 1.269 20 30 CDEDLO Cc1cncc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000330266539 391815268 /nfs/dbraw/zinc/81/52/68/391815268.db2.gz AFEHBWFWYSPOLX-LBPRGKRZSA-N 1 2 256.309 1.906 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2cccs2)CC1 ZINC000121292163 391862310 /nfs/dbraw/zinc/86/23/10/391862310.db2.gz RBATZERSQJKUFA-LBPRGKRZSA-N 1 2 279.409 1.561 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N[C@H](C)CC)n1 ZINC000279687366 392216589 /nfs/dbraw/zinc/21/65/89/392216589.db2.gz HHGZGGQSYDTRDQ-ZIAGYGMSSA-N 1 2 290.411 1.641 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N[C@H](C)CC)n1 ZINC000279687366 392216594 /nfs/dbraw/zinc/21/65/94/392216594.db2.gz HHGZGGQSYDTRDQ-ZIAGYGMSSA-N 1 2 290.411 1.641 20 30 CDEDLO C[C@H]([NH2+][C@@H](C)c1ccn(C)n1)C(=O)Nc1cccc(C#N)c1 ZINC000459796985 392506917 /nfs/dbraw/zinc/50/69/17/392506917.db2.gz RSLJMCZMCNKQDJ-RYUDHWBXSA-N 1 2 297.362 1.970 20 30 CDEDLO CC(=O)N1CCC[C@@H](CNc2cc(C)[nH+]cc2C#N)C1 ZINC000425262975 393008481 /nfs/dbraw/zinc/00/84/81/393008481.db2.gz SKZDHXLHGIZHNY-ZDUSSCGKSA-N 1 2 272.352 1.354 20 30 CDEDLO C=CCCN(C)C(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657883146 413070015 /nfs/dbraw/zinc/07/00/15/413070015.db2.gz YGRLLZRISQFSDF-UHFFFAOYSA-N 1 2 286.335 1.616 20 30 CDEDLO C[C@H]1C(=O)NCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000189095636 140107745 /nfs/dbraw/zinc/10/77/45/140107745.db2.gz BWQWAIPNHIXIMT-JTQLQIEISA-N 1 2 261.300 1.408 20 30 CDEDLO C[C@H]1C(=O)NCCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000189095636 140107746 /nfs/dbraw/zinc/10/77/46/140107746.db2.gz BWQWAIPNHIXIMT-JTQLQIEISA-N 1 2 261.300 1.408 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H](C)O1 ZINC000251874440 140314150 /nfs/dbraw/zinc/31/41/50/140314150.db2.gz PGNDHWMMSRMDDQ-WFASDCNBSA-N 1 2 260.337 1.794 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H](C)O1 ZINC000251874440 140314152 /nfs/dbraw/zinc/31/41/52/140314152.db2.gz PGNDHWMMSRMDDQ-WFASDCNBSA-N 1 2 260.337 1.794 20 30 CDEDLO N#Cc1ccc(C(=O)Nc2c[nH+]c3n2CCCC3)[nH]1 ZINC000334666473 149795244 /nfs/dbraw/zinc/79/52/44/149795244.db2.gz RRCSRQFZTLTCAC-UHFFFAOYSA-N 1 2 255.281 1.671 20 30 CDEDLO Cc1[nH]c(C(=O)NCc2cc(C#N)ccc2F)c[nH+]1 ZINC000335929892 151122672 /nfs/dbraw/zinc/12/26/72/151122672.db2.gz GVMGPJJVYGRWKY-UHFFFAOYSA-N 1 2 258.256 1.659 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000245907454 286270794 /nfs/dbraw/zinc/27/07/94/286270794.db2.gz CQWRRUNPTKJLQM-HUUCEWRRSA-N 1 2 299.374 1.810 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000245907454 286270795 /nfs/dbraw/zinc/27/07/95/286270795.db2.gz CQWRRUNPTKJLQM-HUUCEWRRSA-N 1 2 299.374 1.810 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)Cc1c(F)cccc1C#N ZINC000353698502 156020958 /nfs/dbraw/zinc/02/09/58/156020958.db2.gz MURUBVKOWPPOPJ-UHFFFAOYSA-N 1 2 272.283 1.588 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(C#N)cc1 ZINC000355506316 157087573 /nfs/dbraw/zinc/08/75/73/157087573.db2.gz LVAOPLGIYUVHAU-LBPRGKRZSA-N 1 2 288.351 1.400 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(C#N)cc1 ZINC000355506316 157087575 /nfs/dbraw/zinc/08/75/75/157087575.db2.gz LVAOPLGIYUVHAU-LBPRGKRZSA-N 1 2 288.351 1.400 20 30 CDEDLO C=CCCOCC(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000654703533 413616719 /nfs/dbraw/zinc/61/67/19/413616719.db2.gz ZVOWKIRJRHXFSC-UHFFFAOYSA-N 1 2 269.370 1.736 20 30 CDEDLO C=C(C)CCNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000665021641 413794667 /nfs/dbraw/zinc/79/46/67/413794667.db2.gz ZNTVNOAWRMUXDR-GFCCVEGCSA-N 1 2 294.399 1.745 20 30 CDEDLO C=CCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000661572046 414173629 /nfs/dbraw/zinc/17/36/29/414173629.db2.gz UOVAOFZLPPDXQP-UHFFFAOYSA-N 1 2 260.341 1.489 20 30 CDEDLO C[C@H](CC#N)[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000045173615 175322097 /nfs/dbraw/zinc/32/20/97/175322097.db2.gz YLXFHZKQUSOXMV-SNVBAGLBSA-N 1 2 252.339 1.482 20 30 CDEDLO C[N@H+](CCC#N)CCN1C(=O)c2ccccc2C1=O ZINC000078636293 177362563 /nfs/dbraw/zinc/36/25/63/177362563.db2.gz UZUFMNJSATZTHK-UHFFFAOYSA-N 1 2 257.293 1.128 20 30 CDEDLO C[N@@H+](CCC#N)CCN1C(=O)c2ccccc2C1=O ZINC000078636293 177362564 /nfs/dbraw/zinc/36/25/64/177362564.db2.gz UZUFMNJSATZTHK-UHFFFAOYSA-N 1 2 257.293 1.128 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CCc1cnccn1 ZINC000330009607 228015619 /nfs/dbraw/zinc/01/56/19/228015619.db2.gz GIVXEOFXAITTIT-LBPRGKRZSA-N 1 2 278.356 1.086 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)CCc1cnccn1 ZINC000330009607 228015621 /nfs/dbraw/zinc/01/56/21/228015621.db2.gz GIVXEOFXAITTIT-LBPRGKRZSA-N 1 2 278.356 1.086 20 30 CDEDLO Cc1n[nH]c(CCNC(=O)[C@H]2CCC[N@@H+]2C2CC2)n1 ZINC000330213953 228068803 /nfs/dbraw/zinc/06/88/03/228068803.db2.gz FSVTXYYPLSHBHQ-LLVKDONJSA-N 1 2 263.345 1.239 20 30 CDEDLO Cc1n[nH]c(CCNC(=O)[C@H]2CCC[N@H+]2C2CC2)n1 ZINC000330213953 228068805 /nfs/dbraw/zinc/06/88/05/228068805.db2.gz FSVTXYYPLSHBHQ-LLVKDONJSA-N 1 2 263.345 1.239 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CCC1(F)F ZINC000331890266 228135653 /nfs/dbraw/zinc/13/56/53/228135653.db2.gz RBHLUEAKJQPKEO-GWCFXTLKSA-N 1 2 285.338 1.772 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CCC1(F)F ZINC000331890266 228135655 /nfs/dbraw/zinc/13/56/55/228135655.db2.gz RBHLUEAKJQPKEO-GWCFXTLKSA-N 1 2 285.338 1.772 20 30 CDEDLO N#C[C@H]1CCC[C@@H]1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000332129053 228149498 /nfs/dbraw/zinc/14/94/98/228149498.db2.gz JMELKHROWOPOAQ-KGLIPLIRSA-N 1 2 299.378 1.605 20 30 CDEDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@H+](CCCCC#N)C1 ZINC000332457535 228160085 /nfs/dbraw/zinc/16/00/85/228160085.db2.gz ZQRYMATVKRYLAP-NEPJUHHUSA-N 1 2 263.345 1.569 20 30 CDEDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@@H+](CCCCC#N)C1 ZINC000332457535 228160087 /nfs/dbraw/zinc/16/00/87/228160087.db2.gz ZQRYMATVKRYLAP-NEPJUHHUSA-N 1 2 263.345 1.569 20 30 CDEDLO COc1ccc(C[NH+]2CCN(CC#N)CC2)cc1C#N ZINC000087829086 260219651 /nfs/dbraw/zinc/21/96/51/260219651.db2.gz RRLXKEYLNCTNFY-UHFFFAOYSA-N 1 2 270.336 1.208 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@H+](CCC(C)(C)C#N)C1CC1 ZINC000119655222 260633751 /nfs/dbraw/zinc/63/37/51/260633751.db2.gz HLIDRTBGWBUCEM-NSHDSACASA-N 1 2 272.414 1.824 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](CCC(C)(C)C#N)C1CC1 ZINC000119655222 260633753 /nfs/dbraw/zinc/63/37/53/260633753.db2.gz HLIDRTBGWBUCEM-NSHDSACASA-N 1 2 272.414 1.824 20 30 CDEDLO N#CCC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000153487469 261078711 /nfs/dbraw/zinc/07/87/11/261078711.db2.gz CMNMBTBRFRWUBJ-UHFFFAOYSA-N 1 2 277.755 1.898 20 30 CDEDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCC(=O)NCC1CC1 ZINC000154329506 261090169 /nfs/dbraw/zinc/09/01/69/261090169.db2.gz XZSOCYRPGSKILB-UHFFFAOYSA-N 1 2 295.770 1.698 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2ccccc2C)CC1 ZINC000490761177 261202963 /nfs/dbraw/zinc/20/29/63/261202963.db2.gz RTAHHXAAHPMDOH-UHFFFAOYSA-N 1 2 272.348 1.151 20 30 CDEDLO C#CC[N@@H+](Cc1nnnn1CCCC)C1CCCC1 ZINC000490819903 261216238 /nfs/dbraw/zinc/21/62/38/261216238.db2.gz LJEQVIDYFZDVGD-UHFFFAOYSA-N 1 2 261.373 1.851 20 30 CDEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cccnc1 ZINC000160820642 261227067 /nfs/dbraw/zinc/22/70/67/261227067.db2.gz FBYZMQBNGPHNGD-HNNXBMFYSA-N 1 2 272.352 1.322 20 30 CDEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cccnc1 ZINC000160820642 261227069 /nfs/dbraw/zinc/22/70/69/261227069.db2.gz FBYZMQBNGPHNGD-HNNXBMFYSA-N 1 2 272.352 1.322 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@@](CCC)(C2CC2)C1=O ZINC000491068477 261314682 /nfs/dbraw/zinc/31/46/82/261314682.db2.gz PJZMQNZSJNCKCU-NHYWBVRUSA-N 1 2 277.368 1.398 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@@](CCC)(C2CC2)C1=O ZINC000491068477 261314686 /nfs/dbraw/zinc/31/46/86/261314686.db2.gz PJZMQNZSJNCKCU-NHYWBVRUSA-N 1 2 277.368 1.398 20 30 CDEDLO N#CC1CCN(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000521413567 262317344 /nfs/dbraw/zinc/31/73/44/262317344.db2.gz JBMMTLSZTXQZOX-UHFFFAOYSA-N 1 2 275.356 1.608 20 30 CDEDLO CC1(C#N)CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000277869242 263044169 /nfs/dbraw/zinc/04/41/69/263044169.db2.gz RVEMHFNVRRPMMJ-UHFFFAOYSA-N 1 2 251.721 1.842 20 30 CDEDLO CC1(C#N)CCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000277869242 263044170 /nfs/dbraw/zinc/04/41/70/263044170.db2.gz RVEMHFNVRRPMMJ-UHFFFAOYSA-N 1 2 251.721 1.842 20 30 CDEDLO C[C@@H]1COCC[C@@H]1C/[NH+]=C/c1ccc(O)c(O)c1O ZINC000285240919 263091615 /nfs/dbraw/zinc/09/16/15/263091615.db2.gz GKTRIAVZHICWTK-XDBQGIMCSA-N 1 2 265.309 1.895 20 30 CDEDLO C=CC[N@@H+](C)Cc1nnc2n1c1ccccc1c(=O)n2C ZINC000121301231 263291691 /nfs/dbraw/zinc/29/16/91/263291691.db2.gz NIQPDLZKVPRGGN-UHFFFAOYSA-N 1 2 283.335 1.199 20 30 CDEDLO C=CC[N@H+](C)Cc1nnc2n1c1ccccc1c(=O)n2C ZINC000121301231 263291693 /nfs/dbraw/zinc/29/16/93/263291693.db2.gz NIQPDLZKVPRGGN-UHFFFAOYSA-N 1 2 283.335 1.199 20 30 CDEDLO CC#CC[N@@H+]1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000121705275 263296676 /nfs/dbraw/zinc/29/66/76/263296676.db2.gz WNSIEZXCLORPNE-OLZOCXBDSA-N 1 2 265.378 1.896 20 30 CDEDLO CC#CC[N@H+]1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000121705275 263296679 /nfs/dbraw/zinc/29/66/79/263296679.db2.gz WNSIEZXCLORPNE-OLZOCXBDSA-N 1 2 265.378 1.896 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC[C@]1(C)CC ZINC000340870588 263310448 /nfs/dbraw/zinc/31/04/48/263310448.db2.gz BSPOWAKPFCGILJ-HNNXBMFYSA-N 1 2 268.401 1.912 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOC[C@]1(C)CC ZINC000340870588 263310450 /nfs/dbraw/zinc/31/04/50/263310450.db2.gz BSPOWAKPFCGILJ-HNNXBMFYSA-N 1 2 268.401 1.912 20 30 CDEDLO CCc1noc([C@@H](C)[NH+]2CCC(C#N)(COC)CC2)n1 ZINC000341977830 263368701 /nfs/dbraw/zinc/36/87/01/263368701.db2.gz NBSUTOWUQWJGQW-LLVKDONJSA-N 1 2 278.356 1.945 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2cscn2)CC1 ZINC000341976619 263368752 /nfs/dbraw/zinc/36/87/52/263368752.db2.gz LAWVLHWDABVZTA-UHFFFAOYSA-N 1 2 251.355 1.895 20 30 CDEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(CC(F)(F)F)CC2)C1 ZINC000334254240 263538695 /nfs/dbraw/zinc/53/86/95/263538695.db2.gz MSVLTNIIEWEUFK-QWRGUYRKSA-N 1 2 261.291 1.859 20 30 CDEDLO C=CCOCC[N@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000330453968 263940549 /nfs/dbraw/zinc/94/05/49/263940549.db2.gz MFWNABGYEGHNSP-ZDUSSCGKSA-N 1 2 265.357 1.602 20 30 CDEDLO C=CCOCC[N@@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000330453968 263940551 /nfs/dbraw/zinc/94/05/51/263940551.db2.gz MFWNABGYEGHNSP-ZDUSSCGKSA-N 1 2 265.357 1.602 20 30 CDEDLO C[C@@H](CC[NH+](C)C)NC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000330856622 264054898 /nfs/dbraw/zinc/05/48/98/264054898.db2.gz IJIWJDSDYCPWGI-VIFPVBQESA-N 1 2 299.444 1.924 20 30 CDEDLO Cc1cccn2c(=O)cc(C[N@@H+](C)[C@H](C)CC#N)nc12 ZINC000129673250 264330764 /nfs/dbraw/zinc/33/07/64/264330764.db2.gz BUGFXSOXEDRZFX-GFCCVEGCSA-N 1 2 270.336 1.737 20 30 CDEDLO Cc1cccn2c(=O)cc(C[N@H+](C)[C@H](C)CC#N)nc12 ZINC000129673250 264330766 /nfs/dbraw/zinc/33/07/66/264330766.db2.gz BUGFXSOXEDRZFX-GFCCVEGCSA-N 1 2 270.336 1.737 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000131193213 264367506 /nfs/dbraw/zinc/36/75/06/264367506.db2.gz TZXUNNSZIZFADV-NEPJUHHUSA-N 1 2 260.341 1.454 20 30 CDEDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)NC2(C#N)CCC2)on1 ZINC000525885847 265031843 /nfs/dbraw/zinc/03/18/43/265031843.db2.gz PRERAXFHBBTJQP-LBPRGKRZSA-N 1 2 288.351 1.682 20 30 CDEDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCC2)on1 ZINC000525885847 265031845 /nfs/dbraw/zinc/03/18/45/265031845.db2.gz PRERAXFHBBTJQP-LBPRGKRZSA-N 1 2 288.351 1.682 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](OCCOC)C2)nn1 ZINC000653633342 424381706 /nfs/dbraw/zinc/38/17/06/424381706.db2.gz ZZEGKYMJNKHIML-CQSZACIVSA-N 1 2 280.372 1.092 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](OCCOC)C2)nn1 ZINC000653633342 424381712 /nfs/dbraw/zinc/38/17/12/424381712.db2.gz ZZEGKYMJNKHIML-CQSZACIVSA-N 1 2 280.372 1.092 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000652564490 424539515 /nfs/dbraw/zinc/53/95/15/424539515.db2.gz UWGALLGGUVFAQR-LBPRGKRZSA-N 1 2 274.324 1.783 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1c[nH+]cn1C ZINC000292275486 424576160 /nfs/dbraw/zinc/57/61/60/424576160.db2.gz GPGKCQLTJRNIDO-WCQYABFASA-N 1 2 278.356 1.201 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](C)CCC(F)(F)F ZINC000353383942 266038733 /nfs/dbraw/zinc/03/87/33/266038733.db2.gz HKWHBQAJVRJUNT-UHFFFAOYSA-N 1 2 265.279 1.633 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)CCC(F)(F)F ZINC000353383942 266038737 /nfs/dbraw/zinc/03/87/37/266038737.db2.gz HKWHBQAJVRJUNT-UHFFFAOYSA-N 1 2 265.279 1.633 20 30 CDEDLO C=CCCCCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000356234053 266079057 /nfs/dbraw/zinc/07/90/57/266079057.db2.gz QMICRWUIJMGIKI-OAHLLOKOSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CCCCCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000356234053 266079054 /nfs/dbraw/zinc/07/90/54/266079054.db2.gz QMICRWUIJMGIKI-OAHLLOKOSA-N 1 2 280.412 1.960 20 30 CDEDLO CC[N@@H+](CC(=O)N1CCC[C@@H](C)C1)C[C@@H](C)C#N ZINC000356472784 266120401 /nfs/dbraw/zinc/12/04/01/266120401.db2.gz JIAFTKCJAWFPDG-OLZOCXBDSA-N 1 2 251.374 1.726 20 30 CDEDLO CC[N@H+](CC(=O)N1CCC[C@@H](C)C1)C[C@@H](C)C#N ZINC000356472784 266120403 /nfs/dbraw/zinc/12/04/03/266120403.db2.gz JIAFTKCJAWFPDG-OLZOCXBDSA-N 1 2 251.374 1.726 20 30 CDEDLO C=CCN(C(=O)N[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC000357565480 266326308 /nfs/dbraw/zinc/32/63/08/266326308.db2.gz DHFYEMDXMGRTPS-GFCCVEGCSA-N 1 2 267.373 1.067 20 30 CDEDLO C#CCCCS(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000367819528 267120105 /nfs/dbraw/zinc/12/01/05/267120105.db2.gz RSNYMEFAJGDHKR-GFCCVEGCSA-N 1 2 281.381 1.680 20 30 CDEDLO N#C[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000117797222 267221541 /nfs/dbraw/zinc/22/15/41/267221541.db2.gz XLPJKEYBPCKQAE-AWEZNQCLSA-N 1 2 266.304 1.904 20 30 CDEDLO C#CC[NH+]1CCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000270447099 276784148 /nfs/dbraw/zinc/78/41/48/276784148.db2.gz HLJGLMRTVRPWGN-UHFFFAOYSA-N 1 2 275.308 1.359 20 30 CDEDLO C=C1CC[NH+]([C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000336543360 277814330 /nfs/dbraw/zinc/81/43/30/277814330.db2.gz QGCYGNCSIFZYIZ-ZDUSSCGKSA-N 1 2 274.368 1.568 20 30 CDEDLO CC[C@@H](C(=O)N(C)CC(C)(C)C#N)[N@@H+]1CCO[C@@H](CC)C1 ZINC000353230622 280066492 /nfs/dbraw/zinc/06/64/92/280066492.db2.gz GBPCCAXTLCLHEN-KBPBESRZSA-N 1 2 295.427 1.884 20 30 CDEDLO CC[C@@H](C(=O)N(C)CC(C)(C)C#N)[N@H+]1CCO[C@@H](CC)C1 ZINC000353230622 280066494 /nfs/dbraw/zinc/06/64/94/280066494.db2.gz GBPCCAXTLCLHEN-KBPBESRZSA-N 1 2 295.427 1.884 20 30 CDEDLO N#Cc1cccc(F)c1CC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000556982211 290321228 /nfs/dbraw/zinc/32/12/28/290321228.db2.gz OMAFYXGTTVNYMC-LBPRGKRZSA-N 1 2 298.321 1.568 20 30 CDEDLO Cc1cccc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2C)c1C#N ZINC000443062046 302010490 /nfs/dbraw/zinc/01/04/90/302010490.db2.gz ABJUVNNGXPOSRK-LBPRGKRZSA-N 1 2 293.392 1.191 20 30 CDEDLO Cc1cccc(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2C)c1C#N ZINC000443062046 302010491 /nfs/dbraw/zinc/01/04/91/302010491.db2.gz ABJUVNNGXPOSRK-LBPRGKRZSA-N 1 2 293.392 1.191 20 30 CDEDLO N#CC1(CC[NH+]2CCS(=O)CC2)CCCCC1 ZINC000334560192 303141367 /nfs/dbraw/zinc/14/13/67/303141367.db2.gz ZLGNEARUWBOFKI-UHFFFAOYSA-N 1 2 254.399 1.915 20 30 CDEDLO Cc1ncsc1CCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000563621599 328077903 /nfs/dbraw/zinc/07/79/03/328077903.db2.gz AIPLPKUMFNBAKQ-ZDUSSCGKSA-N 1 2 280.397 1.344 20 30 CDEDLO COCC1(C#N)CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413286201 328143367 /nfs/dbraw/zinc/14/33/67/328143367.db2.gz CXWXSXAFFXFRMN-UHFFFAOYSA-N 1 2 287.367 1.807 20 30 CDEDLO COCC1(C#N)CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000413286201 328143368 /nfs/dbraw/zinc/14/33/68/328143368.db2.gz CXWXSXAFFXFRMN-UHFFFAOYSA-N 1 2 287.367 1.807 20 30 CDEDLO C[C@@H](O)CNc1cc(NCC(C)(C)CC#N)[nH+]cn1 ZINC000413402050 328144500 /nfs/dbraw/zinc/14/45/00/328144500.db2.gz FRDJAICYDMONNJ-SNVBAGLBSA-N 1 2 263.345 1.043 20 30 CDEDLO C[C@@H](O)CNc1cc(NCC(C)(C)CC#N)nc[nH+]1 ZINC000413402050 328144502 /nfs/dbraw/zinc/14/45/02/328144502.db2.gz FRDJAICYDMONNJ-SNVBAGLBSA-N 1 2 263.345 1.043 20 30 CDEDLO C=CC[C@@H](CO)NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000341497024 328411283 /nfs/dbraw/zinc/41/12/83/328411283.db2.gz JKFGCSGPCHWKEV-STQMWFEESA-N 1 2 292.383 1.305 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000078320892 327134810 /nfs/dbraw/zinc/13/48/10/327134810.db2.gz KVDIRWYLXYFZBV-GFCCVEGCSA-N 1 2 279.296 1.180 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000078320892 327134812 /nfs/dbraw/zinc/13/48/12/327134812.db2.gz KVDIRWYLXYFZBV-GFCCVEGCSA-N 1 2 279.296 1.180 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000092193891 327187879 /nfs/dbraw/zinc/18/78/79/327187879.db2.gz OBCXOHMSGXQYAI-MRXNPFEDSA-N 1 2 291.416 1.926 20 30 CDEDLO C#CC[N@H+](Cc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000092193891 327187880 /nfs/dbraw/zinc/18/78/80/327187880.db2.gz OBCXOHMSGXQYAI-MRXNPFEDSA-N 1 2 291.416 1.926 20 30 CDEDLO CC(C)(C)n1cc(C[NH+]2CCN(CCC#N)CC2)cn1 ZINC000105903397 327243036 /nfs/dbraw/zinc/24/30/36/327243036.db2.gz SYIJFKMCSVLRDP-UHFFFAOYSA-N 1 2 275.400 1.669 20 30 CDEDLO CN1CC[C@H](O[NH+]=C(N)Cc2ccccc2Cl)C1=O ZINC000116267590 327306182 /nfs/dbraw/zinc/30/61/82/327306182.db2.gz DSZARIQQUWEOAK-NSHDSACASA-N 1 2 281.743 1.402 20 30 CDEDLO C[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1c(F)cncc1F ZINC000574710501 327368410 /nfs/dbraw/zinc/36/84/10/327368410.db2.gz YSJLLMJKKMDDRW-VIFPVBQESA-N 1 2 294.305 1.573 20 30 CDEDLO Cc1nc(CC(N)=[NH+]OCCCCCCO)cs1 ZINC000134583172 327495377 /nfs/dbraw/zinc/49/53/77/327495377.db2.gz SEWXUEJPPPSBFW-UHFFFAOYSA-N 1 2 271.386 1.836 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(C)[nH+]cc1C ZINC000570371138 327586805 /nfs/dbraw/zinc/58/68/05/327586805.db2.gz OLTVZPRHRIPRAT-OCCSQVGLSA-N 1 2 275.352 1.975 20 30 CDEDLO C[C@H](NC(=O)C1(C#N)CC(C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000532618200 328791473 /nfs/dbraw/zinc/79/14/73/328791473.db2.gz QWNLYNIBJBIRFQ-FMPXUHTOSA-N 1 2 279.384 1.152 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000375639266 329004790 /nfs/dbraw/zinc/00/47/90/329004790.db2.gz AXARLXGRSRWGNJ-HNNXBMFYSA-N 1 2 283.335 1.823 20 30 CDEDLO Cc1cccc2c1C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)O2 ZINC000582550313 329105938 /nfs/dbraw/zinc/10/59/38/329105938.db2.gz QNSDCHBAGJCGCJ-ZBFHGGJFSA-N 1 2 287.363 1.259 20 30 CDEDLO Cn1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc2ccccc21 ZINC000582730431 329132082 /nfs/dbraw/zinc/13/20/82/329132082.db2.gz KLXQLJPLDUZACE-MRXNPFEDSA-N 1 2 284.363 1.752 20 30 CDEDLO C#C[C@H](C)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000187723577 329363037 /nfs/dbraw/zinc/36/30/37/329363037.db2.gz RDJLOPRNPOSKFX-LBPRGKRZSA-N 1 2 268.320 1.693 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000195065841 329690175 /nfs/dbraw/zinc/69/01/75/329690175.db2.gz KQOJXADRULIXEE-OCCSQVGLSA-N 1 2 299.399 1.960 20 30 CDEDLO C[C@H]1CCCN(C(=[NH2+])NCc2nc(-c3ccncc3)n[nH]2)C1 ZINC000263042605 330040254 /nfs/dbraw/zinc/04/02/54/330040254.db2.gz COROHUSOGLIQBN-NSHDSACASA-N 1 2 299.382 1.413 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1nnc(CCCC)s1 ZINC000268950051 330067152 /nfs/dbraw/zinc/06/71/52/330067152.db2.gz PHQZUDQAHKESIP-UHFFFAOYSA-N 1 2 280.397 1.774 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1nnc(CCCC)s1 ZINC000268950051 330067154 /nfs/dbraw/zinc/06/71/54/330067154.db2.gz PHQZUDQAHKESIP-UHFFFAOYSA-N 1 2 280.397 1.774 20 30 CDEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(F)cn2)nn1 ZINC000424293363 330335297 /nfs/dbraw/zinc/33/52/97/330335297.db2.gz IMFBUVVNVVPPMR-SNVBAGLBSA-N 1 2 261.304 1.849 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000089151933 330380895 /nfs/dbraw/zinc/38/08/95/330380895.db2.gz FJYHJWSLGOVSTE-GJZGRUSLSA-N 1 2 294.395 1.067 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000089151933 330380896 /nfs/dbraw/zinc/38/08/96/330380896.db2.gz FJYHJWSLGOVSTE-GJZGRUSLSA-N 1 2 294.395 1.067 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000537119989 330401262 /nfs/dbraw/zinc/40/12/62/330401262.db2.gz RGZOBJCGJPPPSO-CYBMUJFWSA-N 1 2 287.363 1.486 20 30 CDEDLO C=CCC1(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CCCCC1 ZINC000450185213 330964979 /nfs/dbraw/zinc/96/49/79/330964979.db2.gz INYYLJRDJMWLRG-OAHLLOKOSA-N 1 2 291.439 1.629 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1ccccn1 ZINC000451372324 331026170 /nfs/dbraw/zinc/02/61/70/331026170.db2.gz FTZRNQRZEFNHTD-UHFFFAOYSA-N 1 2 259.353 1.714 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1ccccn1 ZINC000451372324 331026171 /nfs/dbraw/zinc/02/61/71/331026171.db2.gz FTZRNQRZEFNHTD-UHFFFAOYSA-N 1 2 259.353 1.714 20 30 CDEDLO CC(C)[C@H](NS(=O)(=O)CC1(C#N)CCC1)c1[nH]cc[nH+]1 ZINC000451548054 331033851 /nfs/dbraw/zinc/03/38/51/331033851.db2.gz MELWOQVXJXTEPV-NSHDSACASA-N 1 2 296.396 1.720 20 30 CDEDLO C=CC(C)(C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000452774330 331076152 /nfs/dbraw/zinc/07/61/52/331076152.db2.gz KZIYUYCBXFGJOM-CQSZACIVSA-N 1 2 280.412 1.958 20 30 CDEDLO C=CC(C)(C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000452774330 331076153 /nfs/dbraw/zinc/07/61/53/331076153.db2.gz KZIYUYCBXFGJOM-CQSZACIVSA-N 1 2 280.412 1.958 20 30 CDEDLO C=C(CC)CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000454540105 331148378 /nfs/dbraw/zinc/14/83/78/331148378.db2.gz JUDADSHOBMJMQM-OLZOCXBDSA-N 1 2 269.389 1.361 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456436518 331192611 /nfs/dbraw/zinc/19/26/11/331192611.db2.gz WJQUPOFJBLBHGT-FDYHWXHSSA-N 1 2 275.352 1.986 20 30 CDEDLO C=CCCOCCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000488512193 332015026 /nfs/dbraw/zinc/01/50/26/332015026.db2.gz ZJSSSKDDVPNIDR-LBPRGKRZSA-N 1 2 278.356 1.090 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000490674789 332102091 /nfs/dbraw/zinc/10/20/91/332102091.db2.gz CVCLPDKMQFHUHS-HOTGVXAUSA-N 1 2 288.391 1.115 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000490674789 332102092 /nfs/dbraw/zinc/10/20/92/332102092.db2.gz CVCLPDKMQFHUHS-HOTGVXAUSA-N 1 2 288.391 1.115 20 30 CDEDLO C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000491241500 332172543 /nfs/dbraw/zinc/17/25/43/332172543.db2.gz JTWOAHQQVZGZKC-LLVKDONJSA-N 1 2 259.309 1.165 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000491289199 332182592 /nfs/dbraw/zinc/18/25/92/332182592.db2.gz XOQUKOXASKVSBW-VIFPVBQESA-N 1 2 252.264 1.857 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000491289199 332182593 /nfs/dbraw/zinc/18/25/93/332182593.db2.gz XOQUKOXASKVSBW-VIFPVBQESA-N 1 2 252.264 1.857 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1OC)C1CC1 ZINC000491315649 332188551 /nfs/dbraw/zinc/18/85/51/332188551.db2.gz OXIJTBNJQPXHFV-UHFFFAOYSA-N 1 2 258.321 1.731 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1ccccc1OC)C1CC1 ZINC000491315649 332188552 /nfs/dbraw/zinc/18/85/52/332188552.db2.gz OXIJTBNJQPXHFV-UHFFFAOYSA-N 1 2 258.321 1.731 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000575329346 335094825 /nfs/dbraw/zinc/09/48/25/335094825.db2.gz PXBZTHZSFPNDHI-OLZOCXBDSA-N 1 2 286.335 1.477 20 30 CDEDLO C#CCN(C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000491669278 332276802 /nfs/dbraw/zinc/27/68/02/332276802.db2.gz PGSVAJISPFDFFT-AWEZNQCLSA-N 1 2 282.347 1.784 20 30 CDEDLO C#CCN(C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000491696386 332291831 /nfs/dbraw/zinc/29/18/31/332291831.db2.gz YPOBLHZENFDAQB-UHFFFAOYSA-N 1 2 282.347 1.706 20 30 CDEDLO C#CCN(C)C(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000491708260 332300667 /nfs/dbraw/zinc/30/06/67/332300667.db2.gz UDKDNYNRBXOOIR-UHFFFAOYSA-N 1 2 253.305 1.886 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000491708373 332300681 /nfs/dbraw/zinc/30/06/81/332300681.db2.gz ULUDNALLNXBXQX-LBPRGKRZSA-N 1 2 255.321 1.795 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000491773777 332339874 /nfs/dbraw/zinc/33/98/74/332339874.db2.gz CJFDTJHVXTVWIF-JQWIXIFHSA-N 1 2 260.341 1.534 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000491782032 332346033 /nfs/dbraw/zinc/34/60/33/332346033.db2.gz NGXNXZUGOOUDBH-CYBMUJFWSA-N 1 2 258.365 1.991 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000491782032 332346034 /nfs/dbraw/zinc/34/60/34/332346034.db2.gz NGXNXZUGOOUDBH-CYBMUJFWSA-N 1 2 258.365 1.991 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000491784524 332347840 /nfs/dbraw/zinc/34/78/40/332347840.db2.gz QUYNLYBJPMGPMY-GFCCVEGCSA-N 1 2 253.305 1.966 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CCCS(=O)(=O)c1ccc(F)cc1 ZINC000491792243 332352787 /nfs/dbraw/zinc/35/27/87/332352787.db2.gz DJZXKABMTXJTAJ-GFCCVEGCSA-N 1 2 283.368 1.943 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CCCS(=O)(=O)c1ccc(F)cc1 ZINC000491792243 332352788 /nfs/dbraw/zinc/35/27/88/332352788.db2.gz DJZXKABMTXJTAJ-GFCCVEGCSA-N 1 2 283.368 1.943 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1ccc2c(c1)CCO2 ZINC000493588201 332446077 /nfs/dbraw/zinc/44/60/77/332446077.db2.gz MPTDBYXFRCJTKB-WVRJYTFGSA-N 1 2 299.374 1.595 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000185165812 333136282 /nfs/dbraw/zinc/13/62/82/333136282.db2.gz YBPPCSHBOGDEIQ-ZJUUUORDSA-N 1 2 278.356 1.156 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000192231590 333231595 /nfs/dbraw/zinc/23/15/95/333231595.db2.gz TUCKAWDQDHAFMC-SNVBAGLBSA-N 1 2 262.275 1.352 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000192231590 333231596 /nfs/dbraw/zinc/23/15/96/333231596.db2.gz TUCKAWDQDHAFMC-SNVBAGLBSA-N 1 2 262.275 1.352 20 30 CDEDLO C#CCN(c1[nH+]cnc2c1cnn2C)C1CCCC1 ZINC000192556215 333236381 /nfs/dbraw/zinc/23/63/81/333236381.db2.gz ZZIAHMPXNDGBLU-UHFFFAOYSA-N 1 2 255.325 1.746 20 30 CDEDLO C[C@@H](CC#N)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000194647838 333274599 /nfs/dbraw/zinc/27/45/99/333274599.db2.gz ROKLBYSCKYRRFS-JTQLQIEISA-N 1 2 299.290 1.812 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)c2cccc(CC#N)c2)CCO1 ZINC000522268240 333276995 /nfs/dbraw/zinc/27/69/95/333276995.db2.gz XBKZJZDGMFZBFG-CYBMUJFWSA-N 1 2 287.363 1.203 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cccc(CC#N)c2)CCO1 ZINC000522268240 333276997 /nfs/dbraw/zinc/27/69/97/333276997.db2.gz XBKZJZDGMFZBFG-CYBMUJFWSA-N 1 2 287.363 1.203 20 30 CDEDLO CN(CC#N)C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000576050902 335146202 /nfs/dbraw/zinc/14/62/02/335146202.db2.gz VRNMPYZIRAWXQO-MRVPVSSYSA-N 1 2 274.246 1.438 20 30 CDEDLO N#CCc1cccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000548638681 334164945 /nfs/dbraw/zinc/16/49/45/334164945.db2.gz UEUKUHAJABDWRM-AWEZNQCLSA-N 1 2 280.331 1.694 20 30 CDEDLO CN(C)c1cccc(C[NH2+]C[C@H](C#N)CCC#N)n1 ZINC000549920323 334208849 /nfs/dbraw/zinc/20/88/49/334208849.db2.gz RMQKXVSWQILIHE-LBPRGKRZSA-N 1 2 257.341 1.681 20 30 CDEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H](CO)O1 ZINC000249485625 334334576 /nfs/dbraw/zinc/33/45/76/334334576.db2.gz UHXOWUBPHVYMDI-DOMZBBRYSA-N 1 2 279.767 1.773 20 30 CDEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H](CO)O1 ZINC000249485625 334334578 /nfs/dbraw/zinc/33/45/78/334334578.db2.gz UHXOWUBPHVYMDI-DOMZBBRYSA-N 1 2 279.767 1.773 20 30 CDEDLO CS(=O)(=O)c1ccc(F)c(C[NH2+]CCC#N)c1 ZINC000566734131 334662178 /nfs/dbraw/zinc/66/21/78/334662178.db2.gz RXTDHZYEHKTXLX-UHFFFAOYSA-N 1 2 256.302 1.232 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc2cnccc2n1 ZINC000569250026 334863792 /nfs/dbraw/zinc/86/37/92/334863792.db2.gz WFINRRFFTBSBMW-HNNXBMFYSA-N 1 2 283.335 1.203 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000576707407 335238000 /nfs/dbraw/zinc/23/80/00/335238000.db2.gz NQCMGVQWGPVUAA-XQQFMLRXSA-N 1 2 263.341 1.684 20 30 CDEDLO Cn1nncc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000577414360 335350427 /nfs/dbraw/zinc/35/04/27/335350427.db2.gz MOJXIUZMFWRJQP-UHFFFAOYSA-N 1 2 282.351 1.267 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc2cnccc2c1 ZINC000578446149 335635627 /nfs/dbraw/zinc/63/56/27/335635627.db2.gz HMAOKVUUPXTCFV-MRXNPFEDSA-N 1 2 282.347 1.808 20 30 CDEDLO C=CCNC(=O)C[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000194411429 336020264 /nfs/dbraw/zinc/02/02/64/336020264.db2.gz JDWDZQIQKQUBPS-UHFFFAOYSA-N 1 2 270.336 1.469 20 30 CDEDLO Cc1nc(N(C)CCCN(C)C(=O)C#CC(C)C)cc[nH+]1 ZINC001112083898 1159616611 /nfs/dbraw/zinc/61/66/11/1159616611.db2.gz AEQXKSUWRPIQLD-UHFFFAOYSA-N 1 2 288.395 1.729 20 30 CDEDLO Cc1cc(C[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N)on1 ZINC001271978246 1160392217 /nfs/dbraw/zinc/39/22/17/1160392217.db2.gz YJJBOTULEPWHQO-JTQLQIEISA-N 1 2 264.329 1.033 20 30 CDEDLO Cc1cc(C[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N)on1 ZINC001271978246 1160392223 /nfs/dbraw/zinc/39/22/23/1160392223.db2.gz YJJBOTULEPWHQO-JTQLQIEISA-N 1 2 264.329 1.033 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](CO)[NH2+]Cc1nccs1 ZINC001755638092 1160436445 /nfs/dbraw/zinc/43/64/45/1160436445.db2.gz NMLFSBUJJLJPSJ-FZMZJTMJSA-N 1 2 297.424 1.312 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccn[nH]2)[C@H]1C ZINC001088475180 1160441319 /nfs/dbraw/zinc/44/13/19/1160441319.db2.gz NLQOMTKOYAKHJX-ZJUUUORDSA-N 1 2 268.748 1.355 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccn[nH]2)[C@H]1C ZINC001088475180 1160441322 /nfs/dbraw/zinc/44/13/22/1160441322.db2.gz NLQOMTKOYAKHJX-ZJUUUORDSA-N 1 2 268.748 1.355 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000675499864 482461250 /nfs/dbraw/zinc/46/12/50/482461250.db2.gz ZUMKVJDHDBQVQN-VWYCJHECSA-N 1 2 267.291 1.965 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000675499864 482461251 /nfs/dbraw/zinc/46/12/51/482461251.db2.gz ZUMKVJDHDBQVQN-VWYCJHECSA-N 1 2 267.291 1.965 20 30 CDEDLO COCC#CC[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000677817304 482793110 /nfs/dbraw/zinc/79/31/10/482793110.db2.gz NVYQOMYMDGOBLJ-UHFFFAOYSA-N 1 2 286.375 1.023 20 30 CDEDLO CCc1ccc([C@H](COC)[NH2+]CC#CCOC)o1 ZINC000680395896 483608944 /nfs/dbraw/zinc/60/89/44/483608944.db2.gz PNDWXHUIYSITNP-ZDUSSCGKSA-N 1 2 251.326 1.769 20 30 CDEDLO C=CC[C@H](C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000194248282 534332363 /nfs/dbraw/zinc/33/23/63/534332363.db2.gz YTLFQGUXAGKKKK-AWEZNQCLSA-N 1 2 288.395 1.873 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](C)c2ccco2)CC1 ZINC001113339178 1162157829 /nfs/dbraw/zinc/15/78/29/1162157829.db2.gz PSDQKSWKCXHCIP-AWEZNQCLSA-N 1 2 292.379 1.730 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001113388799 1162168791 /nfs/dbraw/zinc/16/87/91/1162168791.db2.gz QSFHDCQAQYTKFX-UHFFFAOYSA-N 1 2 290.411 1.667 20 30 CDEDLO N#Cc1cc(Cl)ccc1NCC[NH+]1CCOCC1 ZINC000052856874 526554557 /nfs/dbraw/zinc/55/45/57/526554557.db2.gz AHUDUTAZUIMKJQ-UHFFFAOYSA-N 1 2 265.744 1.956 20 30 CDEDLO C=CCC1(C(=O)NCC[N@@H+]2CCO[C@H](CC)C2)CCC1 ZINC000347607399 527052965 /nfs/dbraw/zinc/05/29/65/527052965.db2.gz BNZYLNTVRLTJGD-CQSZACIVSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CCC1(C(=O)NCC[N@H+]2CCO[C@H](CC)C2)CCC1 ZINC000347607399 527052970 /nfs/dbraw/zinc/05/29/70/527052970.db2.gz BNZYLNTVRLTJGD-CQSZACIVSA-N 1 2 280.412 1.960 20 30 CDEDLO CCOC(=O)[C@@H]([NH2+]CCC(C)(C)C#N)C1CCOCC1 ZINC000347186124 527807055 /nfs/dbraw/zinc/80/70/55/527807055.db2.gz CXQFJIUDECXIAC-ZDUSSCGKSA-N 1 2 282.384 1.874 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347360472 528854279 /nfs/dbraw/zinc/85/42/79/528854279.db2.gz IEVSMKKANSUNID-BPLDGKMQSA-N 1 2 299.390 1.226 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@](F)(CO)C1 ZINC000347360472 528854281 /nfs/dbraw/zinc/85/42/81/528854281.db2.gz IEVSMKKANSUNID-BPLDGKMQSA-N 1 2 299.390 1.226 20 30 CDEDLO CCN1CCN(C(=O)[C@](C)(C#N)CC)C[C@H]1c1[nH]cc[nH+]1 ZINC000354974915 529133590 /nfs/dbraw/zinc/13/35/90/529133590.db2.gz OJBNTYRBVLQFNG-WFASDCNBSA-N 1 2 289.383 1.555 20 30 CDEDLO CCOC(=O)N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191162519 535778138 /nfs/dbraw/zinc/77/81/38/535778138.db2.gz FNWQDRHFBYWIQI-UHFFFAOYSA-N 1 2 276.340 1.171 20 30 CDEDLO C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)N1CCCCC1=O ZINC000329339022 538561207 /nfs/dbraw/zinc/56/12/07/538561207.db2.gz NKRUTKZPNAFCMZ-LLVKDONJSA-N 1 2 278.356 1.700 20 30 CDEDLO C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)N1CCCCC1=O ZINC000329339022 538561212 /nfs/dbraw/zinc/56/12/12/538561212.db2.gz NKRUTKZPNAFCMZ-LLVKDONJSA-N 1 2 278.356 1.700 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(OC(F)F)c1 ZINC000563004641 574450226 /nfs/dbraw/zinc/45/02/26/574450226.db2.gz LJZIUSQBTCBKHT-GFCCVEGCSA-N 1 2 299.321 1.906 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(OC(F)F)c1 ZINC000563004641 574450227 /nfs/dbraw/zinc/45/02/27/574450227.db2.gz LJZIUSQBTCBKHT-GFCCVEGCSA-N 1 2 299.321 1.906 20 30 CDEDLO C#Cc1cccc(NC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000726257478 574495918 /nfs/dbraw/zinc/49/59/18/574495918.db2.gz HBRDYHYZOPUHMN-ZDUSSCGKSA-N 1 2 287.363 1.510 20 30 CDEDLO C#Cc1cccc(NC(=O)NCC[N@H+]2CCO[C@@H](C)C2)c1 ZINC000726257478 574495919 /nfs/dbraw/zinc/49/59/19/574495919.db2.gz HBRDYHYZOPUHMN-ZDUSSCGKSA-N 1 2 287.363 1.510 20 30 CDEDLO C#Cc1cccc(N(C)C(=O)CCn2cc[nH+]c2)c1 ZINC000728536471 574636636 /nfs/dbraw/zinc/63/66/36/574636636.db2.gz FGGPRKRHZMMUBT-UHFFFAOYSA-N 1 2 253.305 1.918 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cn1 ZINC000728859524 574660877 /nfs/dbraw/zinc/66/08/77/574660877.db2.gz PERGXUGALJDCJX-NSHDSACASA-N 1 2 254.293 1.078 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnc2c(c1)c(C)nn2C ZINC000730095745 574848624 /nfs/dbraw/zinc/84/86/24/574848624.db2.gz CTTQGFMIOZETJC-AWEZNQCLSA-N 1 2 297.362 1.313 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnc2c(c1)c(C)nn2C ZINC000730095745 574848627 /nfs/dbraw/zinc/84/86/27/574848627.db2.gz CTTQGFMIOZETJC-AWEZNQCLSA-N 1 2 297.362 1.313 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(N)=O)cc1 ZINC000730274483 574907564 /nfs/dbraw/zinc/90/75/64/574907564.db2.gz GNEYCAHSKRGGGQ-ZDUSSCGKSA-N 1 2 286.335 1.213 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(N)=O)cc1 ZINC000730274483 574907566 /nfs/dbraw/zinc/90/75/66/574907566.db2.gz GNEYCAHSKRGGGQ-ZDUSSCGKSA-N 1 2 286.335 1.213 20 30 CDEDLO COCC[N@H+](CCC#N)C[C@H]1CC(C(=O)OC)=C(C)O1 ZINC000759853639 574926136 /nfs/dbraw/zinc/92/61/36/574926136.db2.gz IXZHKKICCREXKZ-GFCCVEGCSA-N 1 2 282.340 1.084 20 30 CDEDLO COCC[N@@H+](CCC#N)C[C@H]1CC(C(=O)OC)=C(C)O1 ZINC000759853639 574926138 /nfs/dbraw/zinc/92/61/38/574926138.db2.gz IXZHKKICCREXKZ-GFCCVEGCSA-N 1 2 282.340 1.084 20 30 CDEDLO N#CCOc1ccc(CN2CCn3cc[nH+]c3C2)cc1 ZINC000731213034 575038565 /nfs/dbraw/zinc/03/85/65/575038565.db2.gz ZRFZYDYKBNMVPC-UHFFFAOYSA-N 1 2 268.320 1.801 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)CCOc1ccccc1-c1nn[nH]n1 ZINC000735964025 575540468 /nfs/dbraw/zinc/54/04/68/575540468.db2.gz UOLNRLODIGQWQC-LLVKDONJSA-N 1 2 286.339 1.479 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)CCOc1ccccc1-c1nn[nH]n1 ZINC000735964025 575540470 /nfs/dbraw/zinc/54/04/70/575540470.db2.gz UOLNRLODIGQWQC-LLVKDONJSA-N 1 2 286.339 1.479 20 30 CDEDLO Cn1ncc2c1ncnc2N=NCc1cccc2[nH+]ccn21 ZINC000771098006 575548825 /nfs/dbraw/zinc/54/88/25/575548825.db2.gz PYRGOJWZKNOSDH-UHFFFAOYSA-N 1 2 292.306 1.457 20 30 CDEDLO C=C(C)[C@@H](CC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)OCC ZINC000767577641 576206989 /nfs/dbraw/zinc/20/69/89/576206989.db2.gz DNDKETKUEIBBPW-QLFBSQMISA-N 1 2 297.395 1.764 20 30 CDEDLO C=C(C)[C@@H](CC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)OCC ZINC000767577641 576206992 /nfs/dbraw/zinc/20/69/92/576206992.db2.gz DNDKETKUEIBBPW-QLFBSQMISA-N 1 2 297.395 1.764 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000767931239 576240080 /nfs/dbraw/zinc/24/00/80/576240080.db2.gz PPMUHTNKQYPXKP-ZDUSSCGKSA-N 1 2 285.351 1.141 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000767931239 576240082 /nfs/dbraw/zinc/24/00/82/576240082.db2.gz PPMUHTNKQYPXKP-ZDUSSCGKSA-N 1 2 285.351 1.141 20 30 CDEDLO C#CCCOc1ccc(C[NH2+]Cc2nnnn2C2CC2)cc1 ZINC000742388546 576599465 /nfs/dbraw/zinc/59/94/65/576599465.db2.gz WQTNGGIUPQVPSN-UHFFFAOYSA-N 1 2 297.362 1.700 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1COc2ccc(C)cc21 ZINC000763754405 576754679 /nfs/dbraw/zinc/75/46/79/576754679.db2.gz ITXVDYLIJNBOFO-CABCVRRESA-N 1 2 284.359 1.642 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1COc2ccc(C)cc21 ZINC000763754405 576754680 /nfs/dbraw/zinc/75/46/80/576754680.db2.gz ITXVDYLIJNBOFO-CABCVRRESA-N 1 2 284.359 1.642 20 30 CDEDLO COCCCC(C)N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753941081 576867993 /nfs/dbraw/zinc/86/79/93/576867993.db2.gz WQDSHAXKPBRDDK-VXGBXAGGSA-N 1 2 252.362 1.649 20 30 CDEDLO C#CC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000754068983 576877236 /nfs/dbraw/zinc/87/72/36/576877236.db2.gz RGMMGWJCOBEXIT-UHFFFAOYSA-N 1 2 253.305 1.375 20 30 CDEDLO CCCCCCCCNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000754848775 576918783 /nfs/dbraw/zinc/91/87/83/576918783.db2.gz CERAWNDRBVAPQW-CQSZACIVSA-N 1 2 285.432 1.977 20 30 CDEDLO CCCCCCCCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000754848775 576918784 /nfs/dbraw/zinc/91/87/84/576918784.db2.gz CERAWNDRBVAPQW-CQSZACIVSA-N 1 2 285.432 1.977 20 30 CDEDLO CC(C)(C)CC=NNC(=S)NCC[NH+]1CCOCC1 ZINC000755499136 576947255 /nfs/dbraw/zinc/94/72/55/576947255.db2.gz NSRBHKAISOHPSI-UHFFFAOYSA-N 1 2 286.445 1.205 20 30 CDEDLO CC(C)C[N@H+](CCC#N)Cc1cc(=O)c(O)co1 ZINC000755668302 576954544 /nfs/dbraw/zinc/95/45/44/576954544.db2.gz BOKWXMJKPMAKKY-UHFFFAOYSA-N 1 2 250.298 1.717 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)Cc1cc(=O)c(O)co1 ZINC000755668302 576954546 /nfs/dbraw/zinc/95/45/46/576954546.db2.gz BOKWXMJKPMAKKY-UHFFFAOYSA-N 1 2 250.298 1.717 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)nc1 ZINC000756130241 576978778 /nfs/dbraw/zinc/97/87/78/576978778.db2.gz GHIKCBVITSMBLH-CYBMUJFWSA-N 1 2 280.331 1.426 20 30 CDEDLO Cc1cc([C@@H]2CCC[N@@H+]2Cn2cccc(C#N)c2=O)on1 ZINC000758198379 577080773 /nfs/dbraw/zinc/08/07/73/577080773.db2.gz UNPRCQSKIAKSQS-ZDUSSCGKSA-N 1 2 284.319 1.811 20 30 CDEDLO Cc1cc([C@@H]2CCC[N@H+]2Cn2cccc(C#N)c2=O)on1 ZINC000758198379 577080774 /nfs/dbraw/zinc/08/07/74/577080774.db2.gz UNPRCQSKIAKSQS-ZDUSSCGKSA-N 1 2 284.319 1.811 20 30 CDEDLO Cc1ccn(C[N@@H+]2CCCO[C@@H](C)C2)c(=O)c1C#N ZINC000758226914 577085577 /nfs/dbraw/zinc/08/55/77/577085577.db2.gz XMTWVKYTRMVCJV-LBPRGKRZSA-N 1 2 261.325 1.097 20 30 CDEDLO Cc1ccn(C[N@H+]2CCCO[C@@H](C)C2)c(=O)c1C#N ZINC000758226914 577085579 /nfs/dbraw/zinc/08/55/79/577085579.db2.gz XMTWVKYTRMVCJV-LBPRGKRZSA-N 1 2 261.325 1.097 20 30 CDEDLO Cc1ccn(C[NH+]2CCC(C(F)F)CC2)c(=O)c1C#N ZINC000758241247 577089295 /nfs/dbraw/zinc/08/92/95/577089295.db2.gz SQHQREJBZXNHAM-UHFFFAOYSA-N 1 2 281.306 1.963 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CCc2ccccc21 ZINC000752556925 577112783 /nfs/dbraw/zinc/11/27/83/577112783.db2.gz QKICMQZNQBKOEC-WMZOPIPTSA-N 1 2 298.386 1.034 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CCc2ccccc21 ZINC000752556925 577112786 /nfs/dbraw/zinc/11/27/86/577112786.db2.gz QKICMQZNQBKOEC-WMZOPIPTSA-N 1 2 298.386 1.034 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)N2CCC[C@](C)(C#N)C2)CCO1 ZINC000753145670 577148997 /nfs/dbraw/zinc/14/89/97/577148997.db2.gz AHMQFUDJVLREKT-DZGCQCFKSA-N 1 2 294.399 1.042 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)N2CCC[C@](C)(C#N)C2)CCO1 ZINC000753145670 577148998 /nfs/dbraw/zinc/14/89/98/577148998.db2.gz AHMQFUDJVLREKT-DZGCQCFKSA-N 1 2 294.399 1.042 20 30 CDEDLO CN1CC[N@H+](C)[C@H](CNc2cc(C#N)cc(Cl)n2)C1 ZINC000122805304 1175245581 /nfs/dbraw/zinc/24/55/81/1175245581.db2.gz PHAQWQSDVPNAKS-LLVKDONJSA-N 1 2 279.775 1.264 20 30 CDEDLO CN1CC[N@@H+](C)[C@H](CNc2cc(C#N)cc(Cl)n2)C1 ZINC000122805304 1175245590 /nfs/dbraw/zinc/24/55/90/1175245590.db2.gz PHAQWQSDVPNAKS-LLVKDONJSA-N 1 2 279.775 1.264 20 30 CDEDLO C#C[C@H]1CCCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000890652608 617249650 /nfs/dbraw/zinc/24/96/50/617249650.db2.gz UKQBKHYIOBKEAY-OLZOCXBDSA-N 1 2 257.337 1.460 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2c[nH]nc2CCC)C1 ZINC000950710064 612991736 /nfs/dbraw/zinc/99/17/36/612991736.db2.gz OBQDLEHBESRBBQ-UHFFFAOYSA-N 1 2 288.395 1.532 20 30 CDEDLO C#CCN1CC(N(CC)C(=O)c2cccc3[nH+]ccn32)C1 ZINC000950865380 613113183 /nfs/dbraw/zinc/11/31/83/613113183.db2.gz JKJUETFKKCUWKN-UHFFFAOYSA-N 1 2 282.347 1.114 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[NH+](CC=C)CC2)cc1 ZINC000949593731 613170313 /nfs/dbraw/zinc/17/03/13/613170313.db2.gz IUHAIFPXCJWBTF-UHFFFAOYSA-N 1 2 254.333 1.612 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CC(C)(C)C)CC2)C1 ZINC000949291674 613210088 /nfs/dbraw/zinc/21/00/88/613210088.db2.gz QXAZACZWKKVCLT-UHFFFAOYSA-N 1 2 292.423 1.749 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CC(C)(C)C)CC2)C1 ZINC000949291674 613210089 /nfs/dbraw/zinc/21/00/89/613210089.db2.gz QXAZACZWKKVCLT-UHFFFAOYSA-N 1 2 292.423 1.749 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3CC)CC2)C1 ZINC000949475035 613210457 /nfs/dbraw/zinc/21/04/57/613210457.db2.gz VCNRIGAODGVIIC-HUUCEWRRSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3CC)CC2)C1 ZINC000949475035 613210460 /nfs/dbraw/zinc/21/04/60/613210460.db2.gz VCNRIGAODGVIIC-HUUCEWRRSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC34CCC4)C2)C1 ZINC000972577768 613213183 /nfs/dbraw/zinc/21/31/83/613213183.db2.gz NUAKTNMHFDQSAU-RHSMWYFYSA-N 1 2 288.391 1.113 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC34CCC4)C2)C1 ZINC000972577768 613213186 /nfs/dbraw/zinc/21/31/86/613213186.db2.gz NUAKTNMHFDQSAU-RHSMWYFYSA-N 1 2 288.391 1.113 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccns2)C1 ZINC000966491561 613216868 /nfs/dbraw/zinc/21/68/68/613216868.db2.gz PBXRRDDFBPICDZ-MNOVXSKESA-N 1 2 263.366 1.217 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccns2)C1 ZINC000966491561 613216870 /nfs/dbraw/zinc/21/68/70/613216870.db2.gz PBXRRDDFBPICDZ-MNOVXSKESA-N 1 2 263.366 1.217 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cccc3nc[nH]c32)[C@@H](C)C1 ZINC000943745388 613271004 /nfs/dbraw/zinc/27/10/04/613271004.db2.gz SUNUBWGZIZPVMZ-JSGCOSHPSA-N 1 2 296.374 1.636 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cccc3nc[nH]c32)[C@@H](C)C1 ZINC000943745388 613271006 /nfs/dbraw/zinc/27/10/06/613271006.db2.gz SUNUBWGZIZPVMZ-JSGCOSHPSA-N 1 2 296.374 1.636 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2c(C)onc2CC)CC1 ZINC000957623277 613320151 /nfs/dbraw/zinc/32/01/51/613320151.db2.gz BKOYIPSRIMOMKS-UHFFFAOYSA-N 1 2 277.368 1.879 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(Cl)n(C)n2)CC1 ZINC000949211697 613320327 /nfs/dbraw/zinc/32/03/27/613320327.db2.gz PXWXDMQIJUKKKN-UHFFFAOYSA-N 1 2 282.775 1.407 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCOC2)C1 ZINC000969388919 613371524 /nfs/dbraw/zinc/37/15/24/613371524.db2.gz HQDVVLGUUGQXFX-NEPJUHHUSA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)CN1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000951607868 613374766 /nfs/dbraw/zinc/37/47/66/613374766.db2.gz YPOXVUOWFMMAAE-NSHDSACASA-N 1 2 296.802 1.485 20 30 CDEDLO C=C(Cl)CN1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000951607868 613374767 /nfs/dbraw/zinc/37/47/67/613374767.db2.gz YPOXVUOWFMMAAE-NSHDSACASA-N 1 2 296.802 1.485 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cncn2C)C(C)(C)C1 ZINC000974788829 613380007 /nfs/dbraw/zinc/38/00/07/613380007.db2.gz MEVCIMQSFQWTET-GFCCVEGCSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cncn2C)C(C)(C)C1 ZINC000974788829 613380008 /nfs/dbraw/zinc/38/00/08/613380008.db2.gz MEVCIMQSFQWTET-GFCCVEGCSA-N 1 2 296.802 1.613 20 30 CDEDLO C#CCONC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000812784555 617335892 /nfs/dbraw/zinc/33/58/92/617335892.db2.gz WBEFIZQJEJFBGZ-UHFFFAOYSA-N 1 2 255.277 1.226 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCn2cccc2)CC1 ZINC000952401596 613562437 /nfs/dbraw/zinc/56/24/37/613562437.db2.gz XWYSWVRZFLTDOH-UHFFFAOYSA-N 1 2 259.353 1.046 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccc(C)n2C)C1 ZINC000949671167 613657366 /nfs/dbraw/zinc/65/73/66/613657366.db2.gz KHSJDOGDIUZPLD-UHFFFAOYSA-N 1 2 261.369 1.666 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2(C3CC3)CCOCC2)CC1 ZINC000949477593 613707076 /nfs/dbraw/zinc/70/70/76/613707076.db2.gz SJQAAOSRFYDPGL-UHFFFAOYSA-N 1 2 278.396 1.523 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CC2=CCOCC2)CC1 ZINC000950047371 613707402 /nfs/dbraw/zinc/70/74/02/613707402.db2.gz UHMMTEWODRCEKM-UHFFFAOYSA-N 1 2 250.342 1.053 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)COc2ccsc2)CC1 ZINC000957335791 613708454 /nfs/dbraw/zinc/70/84/54/613708454.db2.gz ZKXGOELFYZWTMZ-UHFFFAOYSA-N 1 2 266.366 1.457 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@](C)(OC)c2ccccc2)CC1 ZINC000957368416 613711979 /nfs/dbraw/zinc/71/19/79/613711979.db2.gz PBMHKYRGRYWNKD-KRWDZBQOSA-N 1 2 288.391 1.878 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc3c([nH]c2=O)CCC3)CC1 ZINC000957663161 613714998 /nfs/dbraw/zinc/71/49/98/613714998.db2.gz FNOAQBZPDXZJCA-UHFFFAOYSA-N 1 2 287.363 1.220 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ncn3ccc(C)cc23)CC1 ZINC000948998629 613719271 /nfs/dbraw/zinc/71/92/71/613719271.db2.gz BESHRAYGAIGUHS-UHFFFAOYSA-N 1 2 284.363 1.587 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCO3)C2)C1 ZINC000972345820 613726049 /nfs/dbraw/zinc/72/60/49/613726049.db2.gz IXCXZVWAPAPHAH-GOEBONIOSA-N 1 2 294.395 1.045 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCO3)C2)C1 ZINC000972345820 613726050 /nfs/dbraw/zinc/72/60/50/613726050.db2.gz IXCXZVWAPAPHAH-GOEBONIOSA-N 1 2 294.395 1.045 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)C1 ZINC000972324700 613726552 /nfs/dbraw/zinc/72/65/52/613726552.db2.gz PVVOCGINYATFJG-WBTNSWJXSA-N 1 2 290.407 1.522 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)C1 ZINC000972324700 613726557 /nfs/dbraw/zinc/72/65/57/613726557.db2.gz PVVOCGINYATFJG-WBTNSWJXSA-N 1 2 290.407 1.522 20 30 CDEDLO COCC(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000980583569 616561544 /nfs/dbraw/zinc/56/15/44/616561544.db2.gz LAPQUFCBSZTHOE-UHFFFAOYSA-N 1 2 293.392 1.300 20 30 CDEDLO COCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000980583569 616561545 /nfs/dbraw/zinc/56/15/45/616561545.db2.gz LAPQUFCBSZTHOE-UHFFFAOYSA-N 1 2 293.392 1.300 20 30 CDEDLO CC[C@@H](CO)Nc1cc(NCCCCC#N)[nH+]cn1 ZINC000892328833 617836324 /nfs/dbraw/zinc/83/63/24/617836324.db2.gz WYXORHQIXOVOIF-NSHDSACASA-N 1 2 263.345 1.765 20 30 CDEDLO CC[C@@H](CO)Nc1cc(NCCCCC#N)nc[nH+]1 ZINC000892328833 617836327 /nfs/dbraw/zinc/83/63/27/617836327.db2.gz WYXORHQIXOVOIF-NSHDSACASA-N 1 2 263.345 1.765 20 30 CDEDLO C#Cc1cccc(C[NH2+][C@H](C)c2cc(CO)on2)c1 ZINC000926550941 618049674 /nfs/dbraw/zinc/04/96/74/618049674.db2.gz PTOQRTMJJZQDPY-LLVKDONJSA-N 1 2 256.305 1.999 20 30 CDEDLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1ncc(C#N)s1 ZINC000896497162 620118128 /nfs/dbraw/zinc/11/81/28/620118128.db2.gz ZNRNUXOTFDIQSX-SNVBAGLBSA-N 1 2 264.354 1.826 20 30 CDEDLO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ncc(C#N)s1 ZINC000896497162 620118131 /nfs/dbraw/zinc/11/81/31/620118131.db2.gz ZNRNUXOTFDIQSX-SNVBAGLBSA-N 1 2 264.354 1.826 20 30 CDEDLO COc1cc(C(=O)NCC(C)(C)n2cc[nH+]c2)ccc1C#N ZINC000898910540 621950505 /nfs/dbraw/zinc/95/05/05/621950505.db2.gz RUXRKMXBKKFHBP-UHFFFAOYSA-N 1 2 298.346 1.928 20 30 CDEDLO C#C[C@@](C)(CC)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000908529196 628246510 /nfs/dbraw/zinc/24/65/10/628246510.db2.gz KHIFLDGYBZOKOP-HIFRSBDPSA-N 1 2 274.368 1.708 20 30 CDEDLO C#C[C@@](C)(CC)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000908529196 628246512 /nfs/dbraw/zinc/24/65/12/628246512.db2.gz KHIFLDGYBZOKOP-HIFRSBDPSA-N 1 2 274.368 1.708 20 30 CDEDLO CC(C)(CNC(=O)CNc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC000912615318 630107239 /nfs/dbraw/zinc/10/72/39/630107239.db2.gz LKPPNCVVNGPMPI-UHFFFAOYSA-N 1 2 298.350 1.113 20 30 CDEDLO S=C(NN=C1CCN(c2cccc[nH+]2)CC1)NC1CC1 ZINC000915944897 631871533 /nfs/dbraw/zinc/87/15/33/631871533.db2.gz MCWVTGHASCBBRO-UHFFFAOYSA-N 1 2 289.408 1.664 20 30 CDEDLO C#CCCCCCC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800196192 632043615 /nfs/dbraw/zinc/04/36/15/632043615.db2.gz BYABGKSZUNQVIB-CQSZACIVSA-N 1 2 267.369 1.834 20 30 CDEDLO C#CCCCCCC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800196192 632043618 /nfs/dbraw/zinc/04/36/18/632043618.db2.gz BYABGKSZUNQVIB-CQSZACIVSA-N 1 2 267.369 1.834 20 30 CDEDLO N#C[C@@H](OCC[NH+]1CCOCC1)c1cccc(F)c1 ZINC001210225591 1158573139 /nfs/dbraw/zinc/57/31/39/1158573139.db2.gz UYZYHGVGHMFAAI-CQSZACIVSA-N 1 2 264.300 1.739 20 30 CDEDLO CC(C)(S)CNc1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC001170305043 1162330139 /nfs/dbraw/zinc/33/01/39/1162330139.db2.gz JCNUVDWLFBPLJW-UHFFFAOYSA-N 1 2 265.342 1.177 20 30 CDEDLO C#Cc1cncc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000807425826 1162752389 /nfs/dbraw/zinc/75/23/89/1162752389.db2.gz GXMJDJBJPIYCIX-CQSZACIVSA-N 1 2 294.358 1.816 20 30 CDEDLO CC[C@@H]1[C@@H](NC(=O)c2cccc3[nH+]ccn32)CCN1CC#N ZINC001087656713 1160256484 /nfs/dbraw/zinc/25/64/84/1160256484.db2.gz UTENEDDVTHGWFB-QWHCGFSZSA-N 1 2 297.362 1.441 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C4CC4)no3)[C@@H]2C1 ZINC001084693625 1161589525 /nfs/dbraw/zinc/58/95/25/1161589525.db2.gz MYMBTAYKIFLMMV-TZMCWYRMSA-N 1 2 285.347 1.332 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C4CC4)no3)[C@@H]2C1 ZINC001084693625 1161589531 /nfs/dbraw/zinc/58/95/31/1161589531.db2.gz MYMBTAYKIFLMMV-TZMCWYRMSA-N 1 2 285.347 1.332 20 30 CDEDLO C=CCCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000820454891 1161919943 /nfs/dbraw/zinc/91/99/43/1161919943.db2.gz NLTBLGNLHRNSKH-ZDUSSCGKSA-N 1 2 262.357 1.872 20 30 CDEDLO C=CCCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000820454891 1161919947 /nfs/dbraw/zinc/91/99/47/1161919947.db2.gz NLTBLGNLHRNSKH-ZDUSSCGKSA-N 1 2 262.357 1.872 20 30 CDEDLO COC(=O)n1ncc(C#N)c1Nc1cccn2cc[nH+]c12 ZINC001169971392 1162024384 /nfs/dbraw/zinc/02/43/84/1162024384.db2.gz YBXPDOJLVOLOPR-UHFFFAOYSA-N 1 2 282.263 1.761 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)C2(CCC)CC2)CC1 ZINC001113326400 1162153904 /nfs/dbraw/zinc/15/39/04/1162153904.db2.gz QKPBGYYBKXFCNV-UHFFFAOYSA-N 1 2 280.412 1.914 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ncccc2F)CC1 ZINC001113455696 1162181423 /nfs/dbraw/zinc/18/14/23/1162181423.db2.gz VHYIDZPOZIALSZ-UHFFFAOYSA-N 1 2 293.342 1.181 20 30 CDEDLO C[NH+](C)Cc1ccc(C(N)=[NH+]OCCCCC(=O)[O-])cc1 ZINC001606034002 1163752458 /nfs/dbraw/zinc/75/24/58/1163752458.db2.gz NXTMZHUNKBENKP-UHFFFAOYSA-N 1 2 293.367 1.640 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cccc(OCC#N)c1 ZINC001645915389 1167567434 /nfs/dbraw/zinc/56/74/34/1167567434.db2.gz LCYICVIKFCBVIY-LBPRGKRZSA-N 1 2 298.346 1.807 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cccc(OCC#N)c1 ZINC001645915389 1167567439 /nfs/dbraw/zinc/56/74/39/1167567439.db2.gz LCYICVIKFCBVIY-LBPRGKRZSA-N 1 2 298.346 1.807 20 30 CDEDLO CC(C)[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ncon1 ZINC001650170857 1169783652 /nfs/dbraw/zinc/78/36/52/1169783652.db2.gz XXNXAPGQIANPFC-KBPBESRZSA-N 1 2 286.335 1.962 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NC1CC(C[NH2+]Cc2c[nH]nn2)C1 ZINC001575073142 1171104829 /nfs/dbraw/zinc/10/48/29/1171104829.db2.gz NKLFOXVVGNPJPB-KOHJWAIASA-N 1 2 291.399 1.391 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NC1CC(C[NH2+]Cc2cn[nH]n2)C1 ZINC001575073142 1171104845 /nfs/dbraw/zinc/10/48/45/1171104845.db2.gz NKLFOXVVGNPJPB-KOHJWAIASA-N 1 2 291.399 1.391 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1Cc1cnc(-c2ccccc2)o1 ZINC001580044532 1172331566 /nfs/dbraw/zinc/33/15/66/1172331566.db2.gz DJGHCIUZDDHCPS-CYBMUJFWSA-N 1 2 268.320 1.639 20 30 CDEDLO CCOCCC[NH+]1CC(NC(=O)C#CC(C)(C)C)C1 ZINC001753377746 1185177603 /nfs/dbraw/zinc/17/76/03/1185177603.db2.gz KOAJCUBYEGBVAR-UHFFFAOYSA-N 1 2 266.385 1.263 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)c1cccc(C)c1 ZINC001754495528 1185642955 /nfs/dbraw/zinc/64/29/55/1185642955.db2.gz MNFKYQDMKKGKDN-GOEBONIOSA-N 1 2 270.376 1.922 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)c1cccc(C)c1 ZINC001754495528 1185642958 /nfs/dbraw/zinc/64/29/58/1185642958.db2.gz MNFKYQDMKKGKDN-GOEBONIOSA-N 1 2 270.376 1.922 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1(C)CC(F)(F)C1 ZINC001754501188 1185646279 /nfs/dbraw/zinc/64/62/79/1185646279.db2.gz VDNLBCFCTCZGBL-JTQLQIEISA-N 1 2 256.296 1.246 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1(C)CC(F)(F)C1 ZINC001754501188 1185646282 /nfs/dbraw/zinc/64/62/82/1185646282.db2.gz VDNLBCFCTCZGBL-JTQLQIEISA-N 1 2 256.296 1.246 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CCc2cccnc2)C1 ZINC001754578140 1185672037 /nfs/dbraw/zinc/67/20/37/1185672037.db2.gz VQNBNOJCQUNVAZ-UHFFFAOYSA-N 1 2 273.380 1.733 20 30 CDEDLO C#CCC[NH+]1CC([C@@H](C)NC(=O)C(F)C(F)(F)F)C1 ZINC001755377831 1185933917 /nfs/dbraw/zinc/93/39/17/1185933917.db2.gz YNBLFRFNNZGGRI-PSASIEDQSA-N 1 2 280.265 1.347 20 30 CDEDLO C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001755377831 1185933921 /nfs/dbraw/zinc/93/39/21/1185933921.db2.gz YNBLFRFNNZGGRI-PSASIEDQSA-N 1 2 280.265 1.347 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)COC(C)C)CC1 ZINC001755881754 1186099863 /nfs/dbraw/zinc/09/98/63/1186099863.db2.gz SWVCMKNPQQMOMD-UHFFFAOYSA-N 1 2 286.803 1.912 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)COC(C)C)CC1 ZINC001755881754 1186099867 /nfs/dbraw/zinc/09/98/67/1186099867.db2.gz SWVCMKNPQQMOMD-UHFFFAOYSA-N 1 2 286.803 1.912 20 30 CDEDLO C#Cc1ccccc1CC(=O)NCc1c[nH+]cn1C ZINC000810755146 711842950 /nfs/dbraw/zinc/84/29/50/711842950.db2.gz LZNJUDLDTZHYMD-UHFFFAOYSA-N 1 2 253.305 1.260 20 30 CDEDLO C#CCCOc1ccc(C[NH2+]Cc2ncnn2CC)cc1 ZINC000793343568 711851585 /nfs/dbraw/zinc/85/15/85/711851585.db2.gz NMBQHFZZXXWZFJ-UHFFFAOYSA-N 1 2 284.363 1.990 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C)nn2CC)C1 ZINC001043961544 711862426 /nfs/dbraw/zinc/86/24/26/711862426.db2.gz FLKAZTMIZFOJPR-UHFFFAOYSA-N 1 2 276.384 1.544 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn3ccccc23)C1 ZINC001044062702 711873068 /nfs/dbraw/zinc/87/30/68/711873068.db2.gz NRCZNPMIXUCDNG-UHFFFAOYSA-N 1 2 284.363 1.667 20 30 CDEDLO CC(C)[C@@H](C)NC(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000198442065 711879330 /nfs/dbraw/zinc/87/93/30/711879330.db2.gz PGQIUKUCYUTTNO-SNVBAGLBSA-N 1 2 281.331 1.623 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccnn2)[C@@H]1C ZINC000994075271 711887958 /nfs/dbraw/zinc/88/79/58/711887958.db2.gz XNUAPTIGRXPGHR-RYUDHWBXSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccnn2)[C@@H]1C ZINC000994075271 711887959 /nfs/dbraw/zinc/88/79/59/711887959.db2.gz XNUAPTIGRXPGHR-RYUDHWBXSA-N 1 2 294.786 1.812 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(-n3cccc3)c2)C1 ZINC001030627669 711888280 /nfs/dbraw/zinc/88/82/80/711888280.db2.gz JGVKHCVDSKEKBR-UHFFFAOYSA-N 1 2 293.370 1.915 20 30 CDEDLO N#C[C@H]1CCCN(CCOCC[N@@H+]2CCC[C@H](C#N)C2)C1 ZINC000932153305 711893849 /nfs/dbraw/zinc/89/38/49/711893849.db2.gz NRGBZBGJHHHNND-HZPDHXFCSA-N 1 2 290.411 1.474 20 30 CDEDLO N#C[C@H]1CCCN(CCOCC[N@H+]2CCC[C@H](C#N)C2)C1 ZINC000932153305 711893850 /nfs/dbraw/zinc/89/38/50/711893850.db2.gz NRGBZBGJHHHNND-HZPDHXFCSA-N 1 2 290.411 1.474 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnns1 ZINC001039340645 711899179 /nfs/dbraw/zinc/89/91/79/711899179.db2.gz GREBVTQHYBUOPG-MNOVXSKESA-N 1 2 278.381 1.403 20 30 CDEDLO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnns1 ZINC001039340645 711899180 /nfs/dbraw/zinc/89/91/80/711899180.db2.gz GREBVTQHYBUOPG-MNOVXSKESA-N 1 2 278.381 1.403 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C)sn2)C1 ZINC001042664314 711901955 /nfs/dbraw/zinc/90/19/55/711901955.db2.gz YABZMEGERSUPRP-UHFFFAOYSA-N 1 2 263.366 1.231 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC001038747408 711914500 /nfs/dbraw/zinc/91/45/00/711914500.db2.gz KTWIEOUHGDNASQ-CQSZACIVSA-N 1 2 267.332 1.605 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC001038747408 711914504 /nfs/dbraw/zinc/91/45/04/711914504.db2.gz KTWIEOUHGDNASQ-CQSZACIVSA-N 1 2 267.332 1.605 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC13CC3)CO2 ZINC001053937205 711918916 /nfs/dbraw/zinc/91/89/16/711918916.db2.gz AJADPFAEGFPIDZ-CHWSQXEVSA-N 1 2 276.380 1.322 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(F)c1C ZINC001038290108 711942392 /nfs/dbraw/zinc/94/23/92/711942392.db2.gz XNYBBOSWQQFJMF-CYBMUJFWSA-N 1 2 274.339 1.962 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(F)c1C ZINC001038290108 711942393 /nfs/dbraw/zinc/94/23/93/711942393.db2.gz XNYBBOSWQQFJMF-CYBMUJFWSA-N 1 2 274.339 1.962 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1occc1CC ZINC001032608384 711954694 /nfs/dbraw/zinc/95/46/94/711954694.db2.gz LWDWTYJTJATFQH-KBPBESRZSA-N 1 2 272.348 1.764 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1occc1CC ZINC001032608384 711954695 /nfs/dbraw/zinc/95/46/95/711954695.db2.gz LWDWTYJTJATFQH-KBPBESRZSA-N 1 2 272.348 1.764 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(F)(F)c2ccccc2)C1 ZINC000923581246 711966852 /nfs/dbraw/zinc/96/68/52/711966852.db2.gz BBZBCLIGEWYTDK-CQSZACIVSA-N 1 2 292.329 1.992 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(F)(F)c2ccccc2)C1 ZINC000923581246 711966854 /nfs/dbraw/zinc/96/68/54/711966854.db2.gz BBZBCLIGEWYTDK-CQSZACIVSA-N 1 2 292.329 1.992 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CCN(CC#N)C3)ccn12 ZINC001028539161 711974823 /nfs/dbraw/zinc/97/48/23/711974823.db2.gz PKDOYSZFRZNICE-ZDUSSCGKSA-N 1 2 297.362 1.218 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c(C)coc2C)C1 ZINC001035352341 711975951 /nfs/dbraw/zinc/97/59/51/711975951.db2.gz PKHFXTXYLUAIQG-CQSZACIVSA-N 1 2 292.379 1.903 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2c(C)coc2C)C1 ZINC001035352341 711975952 /nfs/dbraw/zinc/97/59/52/711975952.db2.gz PKHFXTXYLUAIQG-CQSZACIVSA-N 1 2 292.379 1.903 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCO[C@@H](CC)C2)C1 ZINC001044151247 711980320 /nfs/dbraw/zinc/98/03/20/711980320.db2.gz AQGYVXLYYQNLII-OCCSQVGLSA-N 1 2 266.385 1.520 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(OC)ccc1OC ZINC001039001144 711995039 /nfs/dbraw/zinc/99/50/39/711995039.db2.gz BEROAYYHPJIJMP-LBPRGKRZSA-N 1 2 288.347 1.141 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(OC)ccc1OC ZINC001039001144 711995041 /nfs/dbraw/zinc/99/50/41/711995041.db2.gz BEROAYYHPJIJMP-LBPRGKRZSA-N 1 2 288.347 1.141 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccn3ccccc23)C1 ZINC001043308135 712006770 /nfs/dbraw/zinc/00/67/70/712006770.db2.gz KPXMNQMXXXSIRM-UHFFFAOYSA-N 1 2 269.348 1.882 20 30 CDEDLO C[C@H]([NH2+][C@@H]1CCN(C(=O)C#CC2CC2)C1)c1csnn1 ZINC000968626912 712031521 /nfs/dbraw/zinc/03/15/21/712031521.db2.gz IFNOHDDKQDATQA-CMPLNLGQSA-N 1 2 290.392 1.203 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CC1 ZINC001017904449 712040887 /nfs/dbraw/zinc/04/08/87/712040887.db2.gz BADHOEFXSXTWGO-OKILXGFUSA-N 1 2 260.381 1.875 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CC1 ZINC001017904449 712040889 /nfs/dbraw/zinc/04/08/89/712040889.db2.gz BADHOEFXSXTWGO-OKILXGFUSA-N 1 2 260.381 1.875 20 30 CDEDLO C[C@H](C#N)OCC[NH+]1CCN(CCc2ccncc2)CC1 ZINC000931342505 712044357 /nfs/dbraw/zinc/04/43/57/712044357.db2.gz HBVPOOHDCQFQMT-OAHLLOKOSA-N 1 2 288.395 1.170 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC001043425385 712049447 /nfs/dbraw/zinc/04/94/47/712049447.db2.gz COKJDGHBLLQVPE-UHFFFAOYSA-N 1 2 297.362 1.046 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2c(C)noc2CC)C1 ZINC001009495256 712075712 /nfs/dbraw/zinc/07/57/12/712075712.db2.gz JFPZACNNNDNENJ-GFCCVEGCSA-N 1 2 275.352 1.373 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)noc2CC)C1 ZINC001009495256 712075715 /nfs/dbraw/zinc/07/57/15/712075715.db2.gz JFPZACNNNDNENJ-GFCCVEGCSA-N 1 2 275.352 1.373 20 30 CDEDLO C[C@H](CC(=O)[C@H](C#N)C(=O)Nc1ccccn1)n1cc[nH+]c1 ZINC000845444773 712078219 /nfs/dbraw/zinc/07/82/19/712078219.db2.gz AKHZDIBFKIBUHW-NEPJUHHUSA-N 1 2 297.318 1.577 20 30 CDEDLO C=C1CC(C)(C(=O)NC2C[NH+](C[C@@H]3CCCCO3)C2)C1 ZINC001030923939 712088609 /nfs/dbraw/zinc/08/86/09/712088609.db2.gz FYTMNWXXEONHHM-AWEZNQCLSA-N 1 2 278.396 1.712 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1C1CC1 ZINC001038301164 712101658 /nfs/dbraw/zinc/10/16/58/712101658.db2.gz MLOJCHVONXBPMX-ZDUSSCGKSA-N 1 2 286.379 1.125 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1C1CC1 ZINC001038301164 712101663 /nfs/dbraw/zinc/10/16/63/712101663.db2.gz MLOJCHVONXBPMX-ZDUSSCGKSA-N 1 2 286.379 1.125 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](CCF)C1 ZINC000884410063 712110283 /nfs/dbraw/zinc/11/02/83/712110283.db2.gz YZMRNNFVHUSRJZ-NEPJUHHUSA-N 1 2 286.347 1.031 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@H+](Cc1ncccn1)C2 ZINC000981672683 712112460 /nfs/dbraw/zinc/11/24/60/712112460.db2.gz XZPRPVPCCJZFMD-CYBMUJFWSA-N 1 2 299.378 1.061 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](Cc1ncccn1)C2 ZINC000981672683 712112461 /nfs/dbraw/zinc/11/24/61/712112461.db2.gz XZPRPVPCCJZFMD-CYBMUJFWSA-N 1 2 299.378 1.061 20 30 CDEDLO C#Cc1ccccc1CC(=O)NCCc1c[nH+]cn1C ZINC000810994245 712124704 /nfs/dbraw/zinc/12/47/04/712124704.db2.gz BEQBDXGJALWXEK-UHFFFAOYSA-N 1 2 267.332 1.303 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@H]3CC[C@H](C)O3)C2)nc1 ZINC001031278228 712133603 /nfs/dbraw/zinc/13/36/03/712133603.db2.gz IFDBWMFBGNZTKA-SWLSCSKDSA-N 1 2 299.374 1.044 20 30 CDEDLO O=C(C#CC1CC1)N1CCC[N@H+](Cc2ccns2)CC1 ZINC000981125366 712142141 /nfs/dbraw/zinc/14/21/41/712142141.db2.gz FCSDXDYBBLUQEY-UHFFFAOYSA-N 1 2 289.404 1.591 20 30 CDEDLO O=C(C#CC1CC1)N1CCC[N@@H+](Cc2ccns2)CC1 ZINC000981125366 712142144 /nfs/dbraw/zinc/14/21/44/712142144.db2.gz FCSDXDYBBLUQEY-UHFFFAOYSA-N 1 2 289.404 1.591 20 30 CDEDLO C=C(C)CCNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000922705091 712173141 /nfs/dbraw/zinc/17/31/41/712173141.db2.gz HEFRUDVYIWJGOQ-CYBMUJFWSA-N 1 2 269.389 1.363 20 30 CDEDLO C=C[C@](C)(CC)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000785753859 712196536 /nfs/dbraw/zinc/19/65/36/712196536.db2.gz MLKKICCFAHSKII-TZMCWYRMSA-N 1 2 255.358 1.853 20 30 CDEDLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(F)cc1 ZINC001029179701 712206393 /nfs/dbraw/zinc/20/63/93/712206393.db2.gz BTCDOYULXWDKPL-CALCHBBNSA-N 1 2 286.350 1.872 20 30 CDEDLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001029179701 712206395 /nfs/dbraw/zinc/20/63/95/712206395.db2.gz BTCDOYULXWDKPL-CALCHBBNSA-N 1 2 286.350 1.872 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nn1)[C@@H]1CCCO1 ZINC000775347494 712208419 /nfs/dbraw/zinc/20/84/19/712208419.db2.gz GZUSCXPZMHIBNF-CVEARBPZSA-N 1 2 282.347 1.538 20 30 CDEDLO N#CCN1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001003292612 712209284 /nfs/dbraw/zinc/20/92/84/712209284.db2.gz FLWSUZWBAPHNLW-UHFFFAOYSA-N 1 2 283.335 1.052 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C)nc1C ZINC001018075400 712213364 /nfs/dbraw/zinc/21/33/64/712213364.db2.gz LHDIXVAJDGZSPY-OKILXGFUSA-N 1 2 286.379 1.568 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C)nc1C ZINC001018075400 712213365 /nfs/dbraw/zinc/21/33/65/712213365.db2.gz LHDIXVAJDGZSPY-OKILXGFUSA-N 1 2 286.379 1.568 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2c(C)cc(C)[nH]c2=O)C1 ZINC001043612563 712219541 /nfs/dbraw/zinc/21/95/41/712219541.db2.gz ZXGRIIWOMPZGFA-UHFFFAOYSA-N 1 2 289.379 1.275 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC ZINC001029453173 712232978 /nfs/dbraw/zinc/23/29/78/712232978.db2.gz MCHUFXIIPUXWBD-ZENOOKHLSA-N 1 2 293.411 1.010 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC ZINC001029453173 712232981 /nfs/dbraw/zinc/23/29/81/712232981.db2.gz MCHUFXIIPUXWBD-ZENOOKHLSA-N 1 2 293.411 1.010 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCCC[C@H]1C ZINC000884048415 712238055 /nfs/dbraw/zinc/23/80/55/712238055.db2.gz KEVVFEZILCLMAS-WOPDTQHZSA-N 1 2 268.357 1.128 20 30 CDEDLO C=CCCCNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000922250288 712258382 /nfs/dbraw/zinc/25/83/82/712258382.db2.gz HVRJZKCIUUNQQP-ZDUSSCGKSA-N 1 2 269.389 1.363 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnoc1CC ZINC001032659237 712262335 /nfs/dbraw/zinc/26/23/35/712262335.db2.gz PUBBSJCEXMLKIQ-RYUDHWBXSA-N 1 2 273.336 1.159 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnoc1CC ZINC001032659237 712262336 /nfs/dbraw/zinc/26/23/36/712262336.db2.gz PUBBSJCEXMLKIQ-RYUDHWBXSA-N 1 2 273.336 1.159 20 30 CDEDLO C#Cc1cccc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000836253241 712272551 /nfs/dbraw/zinc/27/25/51/712272551.db2.gz GZBUOGSIAKOIBM-IYBDPMFKSA-N 1 2 299.374 1.653 20 30 CDEDLO C#Cc1cccc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000836253241 712272552 /nfs/dbraw/zinc/27/25/52/712272552.db2.gz GZBUOGSIAKOIBM-IYBDPMFKSA-N 1 2 299.374 1.653 20 30 CDEDLO C[C@@H]1C[N@H+](C)CC1N=Nc1cccc(S(C)(=O)=O)c1 ZINC000776263217 712278577 /nfs/dbraw/zinc/27/85/77/712278577.db2.gz OUBXXQHSWQSMMJ-SNVBAGLBSA-N 1 2 281.381 1.440 20 30 CDEDLO C[C@@H]1C[N@@H+](C)CC1N=Nc1cccc(S(C)(=O)=O)c1 ZINC000776263217 712278578 /nfs/dbraw/zinc/27/85/78/712278578.db2.gz OUBXXQHSWQSMMJ-SNVBAGLBSA-N 1 2 281.381 1.440 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2nc3cccnc3s2)C1 ZINC001030448612 712284726 /nfs/dbraw/zinc/28/47/26/712284726.db2.gz UKTWCSMFMCHPKL-UHFFFAOYSA-N 1 2 288.376 1.681 20 30 CDEDLO C#Cc1ccccc1CC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000810651128 712288845 /nfs/dbraw/zinc/28/88/45/712288845.db2.gz IEOXIGBAFCMUNE-CQSZACIVSA-N 1 2 287.359 1.474 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cncn2C)C1 ZINC001033885097 712303672 /nfs/dbraw/zinc/30/36/72/712303672.db2.gz NOOXRJBIBLFEGG-GFCCVEGCSA-N 1 2 296.802 1.709 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cncn2C)C1 ZINC001033885097 712303674 /nfs/dbraw/zinc/30/36/74/712303674.db2.gz NOOXRJBIBLFEGG-GFCCVEGCSA-N 1 2 296.802 1.709 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1n[nH]c2c1CCCC2 ZINC001038452479 712314428 /nfs/dbraw/zinc/31/44/28/712314428.db2.gz RLPBQERPCHFQQF-LBPRGKRZSA-N 1 2 286.379 1.116 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1n[nH]c2c1CCCC2 ZINC001038452479 712314431 /nfs/dbraw/zinc/31/44/31/712314431.db2.gz RLPBQERPCHFQQF-LBPRGKRZSA-N 1 2 286.379 1.116 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ncoc1C)CO2 ZINC001053753390 712315600 /nfs/dbraw/zinc/31/56/00/712315600.db2.gz QNSPDMPEEOJTCE-GFCCVEGCSA-N 1 2 291.351 1.132 20 30 CDEDLO C#CCC[C@@H](O)CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000798419682 712318914 /nfs/dbraw/zinc/31/89/14/712318914.db2.gz QDCCBVGWMVBXRU-GFCCVEGCSA-N 1 2 292.408 1.216 20 30 CDEDLO C#CCC[C@@H](O)CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000798419682 712318918 /nfs/dbraw/zinc/31/89/18/712318918.db2.gz QDCCBVGWMVBXRU-GFCCVEGCSA-N 1 2 292.408 1.216 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cn2cc(C)nc2s1 ZINC001038352072 712322397 /nfs/dbraw/zinc/32/23/97/712322397.db2.gz ZVWSEBVTAHQWOO-LLVKDONJSA-N 1 2 290.392 1.694 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn2cc(C)nc2s1 ZINC001038352072 712322400 /nfs/dbraw/zinc/32/24/00/712322400.db2.gz ZVWSEBVTAHQWOO-LLVKDONJSA-N 1 2 290.392 1.694 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCO[C@H](CC)C2)C1 ZINC001031216241 712334831 /nfs/dbraw/zinc/33/48/31/712334831.db2.gz OYNZXBQDVAZFGS-TZMCWYRMSA-N 1 2 264.369 1.015 20 30 CDEDLO C=CCCC(=O)N1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001070535329 712346656 /nfs/dbraw/zinc/34/66/56/712346656.db2.gz OQHPRUFUAOBFBL-GFCCVEGCSA-N 1 2 290.367 1.026 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(F)CC1 ZINC001032607325 712348450 /nfs/dbraw/zinc/34/84/50/712348450.db2.gz NJURUCHEGSHTHH-HOAMVYINSA-N 1 2 264.344 1.433 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(F)CC1 ZINC001032607325 712348451 /nfs/dbraw/zinc/34/84/51/712348451.db2.gz NJURUCHEGSHTHH-HOAMVYINSA-N 1 2 264.344 1.433 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001035343313 712353903 /nfs/dbraw/zinc/35/39/03/712353903.db2.gz PAJHHHXAVWKASD-OLZOCXBDSA-N 1 2 266.385 1.426 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001035343313 712353905 /nfs/dbraw/zinc/35/39/05/712353905.db2.gz PAJHHHXAVWKASD-OLZOCXBDSA-N 1 2 266.385 1.426 20 30 CDEDLO C[C@@H](CC(=O)NCc1nc(C#N)cs1)n1cc[nH+]c1 ZINC000887977086 712365871 /nfs/dbraw/zinc/36/58/71/712365871.db2.gz FEOPALVAYDTFLU-VIFPVBQESA-N 1 2 275.337 1.479 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(F)cc2)C1 ZINC001035268629 712367382 /nfs/dbraw/zinc/36/73/82/712367382.db2.gz YEZYBDOLCKLEDS-CQSZACIVSA-N 1 2 278.327 1.442 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(F)cc2)C1 ZINC001035268629 712367384 /nfs/dbraw/zinc/36/73/84/712367384.db2.gz YEZYBDOLCKLEDS-CQSZACIVSA-N 1 2 278.327 1.442 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC001043419916 712386367 /nfs/dbraw/zinc/38/63/67/712386367.db2.gz MQJDLDXZKCMBBK-HUUCEWRRSA-N 1 2 278.396 1.663 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1[nH]cnc1C ZINC001028351919 712409631 /nfs/dbraw/zinc/40/96/31/712409631.db2.gz BPVXICIDYSMLCS-NSHDSACASA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]cnc1C ZINC001028351919 712409632 /nfs/dbraw/zinc/40/96/32/712409632.db2.gz BPVXICIDYSMLCS-NSHDSACASA-N 1 2 282.775 1.665 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ncsc2C2CC2)CC1 ZINC000878423142 712411493 /nfs/dbraw/zinc/41/14/93/712411493.db2.gz FJTDEDAWTRXWOD-UHFFFAOYSA-N 1 2 289.404 1.802 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2snnc2C(C)C)C1 ZINC001015890487 712412987 /nfs/dbraw/zinc/41/29/87/712412987.db2.gz QEJIREIQJMBGSR-NSHDSACASA-N 1 2 292.408 1.489 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2snnc2C(C)C)C1 ZINC001015890487 712412989 /nfs/dbraw/zinc/41/29/89/712412989.db2.gz QEJIREIQJMBGSR-NSHDSACASA-N 1 2 292.408 1.489 20 30 CDEDLO C#CCC1(NC(=O)/C=C\C[NH+]2CCOCC2)CCCCC1 ZINC000886656153 712427600 /nfs/dbraw/zinc/42/76/00/712427600.db2.gz TUMJGLNOVMWNGY-SREVYHEPSA-N 1 2 290.407 1.717 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CC=CC1 ZINC001032606055 712435528 /nfs/dbraw/zinc/43/55/28/712435528.db2.gz MFAWSIJFPNPYEG-KBPBESRZSA-N 1 2 258.365 1.651 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CC=CC1 ZINC001032606055 712435530 /nfs/dbraw/zinc/43/55/30/712435530.db2.gz MFAWSIJFPNPYEG-KBPBESRZSA-N 1 2 258.365 1.651 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC001043264923 712437365 /nfs/dbraw/zinc/43/73/65/712437365.db2.gz LLLUMSYFEOYVSJ-INIZCTEOSA-N 1 2 284.359 1.156 20 30 CDEDLO C#CCCCCCC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836865193 712441697 /nfs/dbraw/zinc/44/16/97/712441697.db2.gz CDDZFZVUULAKHT-GASCZTMLSA-N 1 2 278.396 1.550 20 30 CDEDLO C#CCCCCCC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836865193 712441700 /nfs/dbraw/zinc/44/17/00/712441700.db2.gz CDDZFZVUULAKHT-GASCZTMLSA-N 1 2 278.396 1.550 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)C3CC(OC)C3)cc2C1 ZINC001054269374 712446267 /nfs/dbraw/zinc/44/62/67/712446267.db2.gz XRTHCUKDGDCZPR-UHFFFAOYSA-N 1 2 298.386 1.677 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)C3CC(OC)C3)cc2C1 ZINC001054269374 712446270 /nfs/dbraw/zinc/44/62/70/712446270.db2.gz XRTHCUKDGDCZPR-UHFFFAOYSA-N 1 2 298.386 1.677 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2)CC[C@H]1C ZINC001071338799 712461588 /nfs/dbraw/zinc/46/15/88/712461588.db2.gz ZJTYHKMUBWHYHX-YPMHNXCESA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2)CC[C@H]1C ZINC001071338799 712461591 /nfs/dbraw/zinc/46/15/91/712461591.db2.gz ZJTYHKMUBWHYHX-YPMHNXCESA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2n[nH]c(C)c2C)C1 ZINC001032955659 712471076 /nfs/dbraw/zinc/47/10/76/712471076.db2.gz YDMDXLJNYROSER-GFCCVEGCSA-N 1 2 296.802 1.925 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2n[nH]c(C)c2C)C1 ZINC001032955659 712471078 /nfs/dbraw/zinc/47/10/78/712471078.db2.gz YDMDXLJNYROSER-GFCCVEGCSA-N 1 2 296.802 1.925 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](CF)C2)nc1 ZINC000880300611 712494124 /nfs/dbraw/zinc/49/41/24/712494124.db2.gz VACOHJUTUQLLDB-NSHDSACASA-N 1 2 297.355 1.018 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](CF)C2)nc1 ZINC000880300611 712494126 /nfs/dbraw/zinc/49/41/26/712494126.db2.gz VACOHJUTUQLLDB-NSHDSACASA-N 1 2 297.355 1.018 20 30 CDEDLO C[C@H]1CCN(C[N@H+](C)Cc2ccc(C#N)cc2)C1=O ZINC000839957599 712502767 /nfs/dbraw/zinc/50/27/67/712502767.db2.gz DWBWKPFLNZUOJN-LBPRGKRZSA-N 1 2 257.337 1.816 20 30 CDEDLO C[C@H]1CCN(C[N@@H+](C)Cc2ccc(C#N)cc2)C1=O ZINC000839957599 712502769 /nfs/dbraw/zinc/50/27/69/712502769.db2.gz DWBWKPFLNZUOJN-LBPRGKRZSA-N 1 2 257.337 1.816 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@@]2(C)C(C)C)C1 ZINC001044125117 712504367 /nfs/dbraw/zinc/50/43/67/712504367.db2.gz VVHAFZMSFAZNCD-ZFWWWQNUSA-N 1 2 250.386 1.997 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccc3ncnn32)C1 ZINC001043238745 712509543 /nfs/dbraw/zinc/50/95/43/712509543.db2.gz MSAJAZLVQQEGJV-UHFFFAOYSA-N 1 2 285.351 1.062 20 30 CDEDLO Cc1ccncc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N ZINC001032319080 712512661 /nfs/dbraw/zinc/51/26/61/712512661.db2.gz ILGVGGODUDDSDO-QEJZJMRPSA-N 1 2 284.363 1.335 20 30 CDEDLO Cc1ccncc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N ZINC001032319080 712512663 /nfs/dbraw/zinc/51/26/63/712512663.db2.gz ILGVGGODUDDSDO-QEJZJMRPSA-N 1 2 284.363 1.335 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(C)C)no1 ZINC001038771916 712517601 /nfs/dbraw/zinc/51/76/01/712517601.db2.gz KDHJPCYUVUVZDL-LBPRGKRZSA-N 1 2 275.352 1.625 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(C)C)no1 ZINC001038771916 712517603 /nfs/dbraw/zinc/51/76/03/712517603.db2.gz KDHJPCYUVUVZDL-LBPRGKRZSA-N 1 2 275.352 1.625 20 30 CDEDLO Cc1oncc1C[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038174660 712531379 /nfs/dbraw/zinc/53/13/79/712531379.db2.gz IMRTYXDSGKXXFJ-CQSZACIVSA-N 1 2 299.334 1.187 20 30 CDEDLO Cc1oncc1C[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038174660 712531381 /nfs/dbraw/zinc/53/13/81/712531381.db2.gz IMRTYXDSGKXXFJ-CQSZACIVSA-N 1 2 299.334 1.187 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(OC)cc1 ZINC000884044471 712536926 /nfs/dbraw/zinc/53/69/26/712536926.db2.gz JVTSHJDNPIIMLF-LBPRGKRZSA-N 1 2 278.308 1.080 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)c(OCC)c1 ZINC001038764598 712699078 /nfs/dbraw/zinc/69/90/78/712699078.db2.gz QZKQFTYGYHHGSR-HNNXBMFYSA-N 1 2 286.375 1.831 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)c(OCC)c1 ZINC001038764598 712699080 /nfs/dbraw/zinc/69/90/80/712699080.db2.gz QZKQFTYGYHHGSR-HNNXBMFYSA-N 1 2 286.375 1.831 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccns2)[C@H]1C ZINC000993391525 712701417 /nfs/dbraw/zinc/70/14/17/712701417.db2.gz GTDTZVTYQJHSNQ-VXGBXAGGSA-N 1 2 277.393 1.749 20 30 CDEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccns2)[C@H]1C ZINC000993391525 712701420 /nfs/dbraw/zinc/70/14/20/712701420.db2.gz GTDTZVTYQJHSNQ-VXGBXAGGSA-N 1 2 277.393 1.749 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001043313121 712707524 /nfs/dbraw/zinc/70/75/24/712707524.db2.gz WAQXJKCCCWZRLB-UHFFFAOYSA-N 1 2 296.374 1.651 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)C1 ZINC001030853231 712707975 /nfs/dbraw/zinc/70/79/75/712707975.db2.gz UTODEFGOZSXNFD-MNOVXSKESA-N 1 2 288.313 1.789 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)c(OC)c(C)c1 ZINC001032416059 712714144 /nfs/dbraw/zinc/71/41/44/712714144.db2.gz VPNBKSJXCIMRFY-HOTGVXAUSA-N 1 2 298.386 1.844 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)c(OC)c(C)c1 ZINC001032416059 712714147 /nfs/dbraw/zinc/71/41/47/712714147.db2.gz VPNBKSJXCIMRFY-HOTGVXAUSA-N 1 2 298.386 1.844 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C2CC2)n1 ZINC001032669707 712714664 /nfs/dbraw/zinc/71/46/64/712714664.db2.gz XCJFLPRBQYUKFH-STQMWFEESA-N 1 2 285.347 1.474 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C2CC2)n1 ZINC001032669707 712714666 /nfs/dbraw/zinc/71/46/66/712714666.db2.gz XCJFLPRBQYUKFH-STQMWFEESA-N 1 2 285.347 1.474 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)[nH]nc1Cl ZINC001017607873 712739775 /nfs/dbraw/zinc/73/97/75/712739775.db2.gz INEMIOMDUZMTKB-PHIMTYICSA-N 1 2 292.770 1.294 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)[nH]nc1Cl ZINC001017607873 712739776 /nfs/dbraw/zinc/73/97/76/712739776.db2.gz INEMIOMDUZMTKB-PHIMTYICSA-N 1 2 292.770 1.294 20 30 CDEDLO C=CCN1CC[C@H](OC(=O)[C@@H]2CCCC[N@H+]2CC)C1=O ZINC000798622625 712745635 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WXKZESIMPBGNED-UHFFFAOYSA-N 1 2 294.395 1.107 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/Cl ZINC001029242857 905228614 /nfs/dbraw/zinc/22/86/14/905228614.db2.gz NDNPURYSOLUBRO-KTDZKYTCSA-N 1 2 267.760 1.574 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/Cl ZINC001029242857 905228625 /nfs/dbraw/zinc/22/86/25/905228625.db2.gz NDNPURYSOLUBRO-KTDZKYTCSA-N 1 2 267.760 1.574 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)NCc1cc(C#N)ccc1F ZINC000357971759 921242112 /nfs/dbraw/zinc/24/21/12/921242112.db2.gz HZTXKFHNSAUMDX-UHFFFAOYSA-N 1 2 287.298 1.430 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128454046 921305616 /nfs/dbraw/zinc/30/56/16/921305616.db2.gz MCWVVFJUALWQER-CYBMUJFWSA-N 1 2 290.411 1.937 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128454046 921305617 /nfs/dbraw/zinc/30/56/17/921305617.db2.gz MCWVVFJUALWQER-CYBMUJFWSA-N 1 2 290.411 1.937 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nccn2CC)[C@H]1C ZINC001088545676 907651799 /nfs/dbraw/zinc/65/17/99/907651799.db2.gz SGMABGYLOCFGNH-NEPJUHHUSA-N 1 2 296.802 1.848 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nccn2CC)[C@H]1C ZINC001088545676 907651809 /nfs/dbraw/zinc/65/18/09/907651809.db2.gz SGMABGYLOCFGNH-NEPJUHHUSA-N 1 2 296.802 1.848 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncc[nH]2)[C@H]1C ZINC001088559133 907882766 /nfs/dbraw/zinc/88/27/66/907882766.db2.gz XGCQKYYATAFDPN-ZJUUUORDSA-N 1 2 268.748 1.355 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncc[nH]2)[C@H]1C ZINC001088559133 907882779 /nfs/dbraw/zinc/88/27/79/907882779.db2.gz XGCQKYYATAFDPN-ZJUUUORDSA-N 1 2 268.748 1.355 20 30 CDEDLO C#CCC[N@H+]1CC[C@H](NC(=O)c2c[nH]cc3ncnc2-3)[C@H]1C ZINC001088581872 908147989 /nfs/dbraw/zinc/14/79/89/908147989.db2.gz NZDBSQDVIHRHCZ-YPMHNXCESA-N 1 2 297.362 1.174 20 30 CDEDLO C#CCC[N@@H+]1CC[C@H](NC(=O)c2c[nH]cc3ncnc2-3)[C@H]1C ZINC001088581872 908147995 /nfs/dbraw/zinc/14/79/95/908147995.db2.gz NZDBSQDVIHRHCZ-YPMHNXCESA-N 1 2 297.362 1.174 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3C[C@@H](NCC#N)C[C@@H]3C)ccn12 ZINC000988844152 908597287 /nfs/dbraw/zinc/59/72/87/908597287.db2.gz MVKLYGPPKYGBMK-FZMZJTMJSA-N 1 2 297.362 1.359 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2scnc2C(F)F)[C@H]1C ZINC001088738828 909243676 /nfs/dbraw/zinc/24/36/76/909243676.db2.gz WLVITWXTPDJDEM-BDAKNGLRSA-N 1 2 299.346 1.907 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2scnc2C(F)F)[C@H]1C ZINC001088738828 909243690 /nfs/dbraw/zinc/24/36/90/909243690.db2.gz WLVITWXTPDJDEM-BDAKNGLRSA-N 1 2 299.346 1.907 20 30 CDEDLO CC(C)C#CC(=O)NCC[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001126822475 909320416 /nfs/dbraw/zinc/32/04/16/909320416.db2.gz CHMGRHXSEODCAB-UHFFFAOYSA-N 1 2 292.383 1.232 20 30 CDEDLO Cc1cc(C)c(C(=O)N[C@H]2CCN(CC#N)[C@@H]2C)c(C)[nH+]1 ZINC001088759534 909337284 /nfs/dbraw/zinc/33/72/84/909337284.db2.gz FSVCMGJIXFINIQ-KGLIPLIRSA-N 1 2 286.379 1.723 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)CCOC2 ZINC001038497953 909693154 /nfs/dbraw/zinc/69/31/54/909693154.db2.gz WMYWDKIPYUKLLS-KRWDZBQOSA-N 1 2 298.386 1.587 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)CCOC2 ZINC001038497953 909693162 /nfs/dbraw/zinc/69/31/62/909693162.db2.gz WMYWDKIPYUKLLS-KRWDZBQOSA-N 1 2 298.386 1.587 20 30 CDEDLO C#Cc1ccccc1CC(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093775884 910158700 /nfs/dbraw/zinc/15/87/00/910158700.db2.gz MKGIRGMDYRSOFW-UHFFFAOYSA-N 1 2 294.358 1.537 20 30 CDEDLO C=C1CC(C)(C(=O)NCCNc2cc[nH+]c(C)n2)C1 ZINC001094124875 910350689 /nfs/dbraw/zinc/35/06/89/910350689.db2.gz ZPDWSHKIPDBIKX-UHFFFAOYSA-N 1 2 260.341 1.669 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(CC)s2)[C@@H](O)C1 ZINC001083614098 910668871 /nfs/dbraw/zinc/66/88/71/910668871.db2.gz CSSODSSLLWXKIS-NEPJUHHUSA-N 1 2 280.393 1.271 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC)s2)[C@@H](O)C1 ZINC001083614098 910668878 /nfs/dbraw/zinc/66/88/78/910668878.db2.gz CSSODSSLLWXKIS-NEPJUHHUSA-N 1 2 280.393 1.271 20 30 CDEDLO Cc1cc(C#N)cnc1N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001168372707 910873247 /nfs/dbraw/zinc/87/32/47/910873247.db2.gz NIBKRJDEBGJQBY-CYBMUJFWSA-N 1 2 272.352 1.537 20 30 CDEDLO Cc1cc(C#N)cnc1N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001168372707 910873256 /nfs/dbraw/zinc/87/32/56/910873256.db2.gz NIBKRJDEBGJQBY-CYBMUJFWSA-N 1 2 272.352 1.537 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2nn(C)c3ccccc23)C1 ZINC001030320088 911680560 /nfs/dbraw/zinc/68/05/60/911680560.db2.gz IBTVWJCDUVKKMC-UHFFFAOYSA-N 1 2 298.390 1.492 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccc3c(c2)NC(=O)C3)C1 ZINC001030459107 911863102 /nfs/dbraw/zinc/86/31/02/911863102.db2.gz RSXPLNQOGOLAMX-UHFFFAOYSA-N 1 2 299.374 1.100 20 30 CDEDLO COC(=O)[C@@H]1CCC[C@H]([NH+]2CC(C)(C#N)C2)CC1 ZINC001172782127 911970804 /nfs/dbraw/zinc/97/08/04/911970804.db2.gz MOYCROKTYBLMMV-NEPJUHHUSA-N 1 2 250.342 1.954 20 30 CDEDLO CC(C)(C)OC(=O)C[NH+]1CCC(NC2(C#N)CCC2)CC1 ZINC001172882969 912041313 /nfs/dbraw/zinc/04/13/13/912041313.db2.gz HOYJFLZPVXHVRC-UHFFFAOYSA-N 1 2 293.411 1.828 20 30 CDEDLO Cc1nc(N[C@@H]2CCN(C(=O)CSCC#N)C2)cc[nH+]1 ZINC001095011177 912159227 /nfs/dbraw/zinc/15/92/27/912159227.db2.gz MPXAXDNHNKSMNP-LLVKDONJSA-N 1 2 291.380 1.055 20 30 CDEDLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(C#N)cc1C#N ZINC001178697707 915586883 /nfs/dbraw/zinc/58/68/83/915586883.db2.gz LYTAIHOLGXHJJM-AWEZNQCLSA-N 1 2 268.320 1.853 20 30 CDEDLO C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(C#N)cc1C#N ZINC001178697707 915586891 /nfs/dbraw/zinc/58/68/91/915586891.db2.gz LYTAIHOLGXHJJM-AWEZNQCLSA-N 1 2 268.320 1.853 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2cc(F)cc(F)c2F)CC1 ZINC001179839963 916007614 /nfs/dbraw/zinc/00/76/14/916007614.db2.gz RNHMKJFFFSIEQY-UHFFFAOYSA-N 1 2 298.308 1.977 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccn1C)O2 ZINC001053573123 936415081 /nfs/dbraw/zinc/41/50/81/936415081.db2.gz BBQITJHWEAXGJR-CYBMUJFWSA-N 1 2 289.379 1.174 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(F)c[nH]1)O2 ZINC001053628878 936415950 /nfs/dbraw/zinc/41/59/50/936415950.db2.gz ABXOOUDEZTYSQM-GFCCVEGCSA-N 1 2 293.342 1.303 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(F)c[nH]1)CO2 ZINC001053873328 936422066 /nfs/dbraw/zinc/42/20/66/936422066.db2.gz WMIICINSCSUPND-GFCCVEGCSA-N 1 2 293.342 1.303 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccsc1)CO2 ZINC001053732046 936418804 /nfs/dbraw/zinc/41/88/04/936418804.db2.gz JYSVQGUIGYDRPX-CYBMUJFWSA-N 1 2 290.388 1.345 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001124482622 917394671 /nfs/dbraw/zinc/39/46/71/917394671.db2.gz GWDRGPMTAJWNLN-GFCCVEGCSA-N 1 2 281.356 1.170 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001054055067 936427213 /nfs/dbraw/zinc/42/72/13/936427213.db2.gz CVGYLURZMUYJBH-SJORKVTESA-N 1 2 294.398 1.963 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001054055067 936427214 /nfs/dbraw/zinc/42/72/14/936427214.db2.gz CVGYLURZMUYJBH-SJORKVTESA-N 1 2 294.398 1.963 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cn(C)cn3)cc2C1 ZINC001054261511 936433899 /nfs/dbraw/zinc/43/38/99/936433899.db2.gz HDDRHVBYYWIEQW-UHFFFAOYSA-N 1 2 294.358 1.299 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cn(C)cn3)cc2C1 ZINC001054261511 936433902 /nfs/dbraw/zinc/43/39/02/936433902.db2.gz HDDRHVBYYWIEQW-UHFFFAOYSA-N 1 2 294.358 1.299 20 30 CDEDLO C#CCC[N@H+]1Cc2ccc(CNC(=O)c3ncn[nH]3)cc2C1 ZINC001054285899 936434904 /nfs/dbraw/zinc/43/49/04/936434904.db2.gz GCGWRGWRYNNWHD-UHFFFAOYSA-N 1 2 295.346 1.074 20 30 CDEDLO C#CCC[N@@H+]1Cc2ccc(CNC(=O)c3ncn[nH]3)cc2C1 ZINC001054285899 936434906 /nfs/dbraw/zinc/43/49/06/936434906.db2.gz GCGWRGWRYNNWHD-UHFFFAOYSA-N 1 2 295.346 1.074 20 30 CDEDLO C#CCC[N@H+]1Cc2ccc(CNC(=O)c3nc[nH]n3)cc2C1 ZINC001054285899 936434908 /nfs/dbraw/zinc/43/49/08/936434908.db2.gz GCGWRGWRYNNWHD-UHFFFAOYSA-N 1 2 295.346 1.074 20 30 CDEDLO C#CCC[N@@H+]1Cc2ccc(CNC(=O)c3nc[nH]n3)cc2C1 ZINC001054285899 936434910 /nfs/dbraw/zinc/43/49/10/936434910.db2.gz GCGWRGWRYNNWHD-UHFFFAOYSA-N 1 2 295.346 1.074 20 30 CDEDLO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)c1O ZINC000829982958 936441259 /nfs/dbraw/zinc/44/12/59/936441259.db2.gz JTTHXLOFBQZWEB-HNNXBMFYSA-N 1 2 292.310 1.584 20 30 CDEDLO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@](O)(CC#N)C2)c1O ZINC000829982958 936441262 /nfs/dbraw/zinc/44/12/62/936441262.db2.gz JTTHXLOFBQZWEB-HNNXBMFYSA-N 1 2 292.310 1.584 20 30 CDEDLO N#Cc1cccc(CCC(=O)N2CCc3[nH+]ccn3CC2)c1 ZINC001182340381 917794967 /nfs/dbraw/zinc/79/49/67/917794967.db2.gz LOVOUTOWZZJTBT-UHFFFAOYSA-N 1 2 294.358 1.772 20 30 CDEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)/C(C)=C/C)nn2)C1 ZINC001107155627 918219767 /nfs/dbraw/zinc/21/97/67/918219767.db2.gz HHLRPBXLIBQEFD-LFYBBSHMSA-N 1 2 289.383 1.293 20 30 CDEDLO Cc1nc(NC/C=C\CNC(=O)C#CC(C)C)cc[nH+]1 ZINC001107160179 918223187 /nfs/dbraw/zinc/22/31/87/918223187.db2.gz QJROARYMGLZHTO-PLNGDYQASA-N 1 2 272.352 1.529 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@](C)(O)c2ccccc2)CC1 ZINC001182931963 918234462 /nfs/dbraw/zinc/23/44/62/918234462.db2.gz UAINTQIEWIDINZ-INIZCTEOSA-N 1 2 274.364 1.224 20 30 CDEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CC3(C)CC3)nn2)C1 ZINC001107185680 918248848 /nfs/dbraw/zinc/24/88/48/918248848.db2.gz YYNUKBTZRAJVCX-UHFFFAOYSA-N 1 2 289.383 1.127 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCOC)C2 ZINC001110325895 918276520 /nfs/dbraw/zinc/27/65/20/918276520.db2.gz PRSLYBQRXVPDKW-UPJWGTAASA-N 1 2 286.803 1.887 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCOC)C2 ZINC001110325895 918276532 /nfs/dbraw/zinc/27/65/32/918276532.db2.gz PRSLYBQRXVPDKW-UPJWGTAASA-N 1 2 286.803 1.887 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccsc1 ZINC001032318289 918376055 /nfs/dbraw/zinc/37/60/55/918376055.db2.gz LQENEAIKMHKRQN-DRZSPHRISA-N 1 2 275.377 1.693 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccsc1 ZINC001032318289 918376065 /nfs/dbraw/zinc/37/60/65/918376065.db2.gz LQENEAIKMHKRQN-DRZSPHRISA-N 1 2 275.377 1.693 20 30 CDEDLO CC[C@H](CC#N)[NH2+][C@@H](CC(=O)OC)c1cccnc1 ZINC001255155834 936505506 /nfs/dbraw/zinc/50/55/06/936505506.db2.gz BJIPZIVCKVHESI-OLZOCXBDSA-N 1 2 261.325 1.968 20 30 CDEDLO Cc1nc(NC[C@@H](C)NC(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001107721141 918682029 /nfs/dbraw/zinc/68/20/29/918682029.db2.gz BLXZRIUXVDAJSG-SECBINFHSA-N 1 2 284.323 1.215 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cnc(C)s2)C1 ZINC001107794959 918800520 /nfs/dbraw/zinc/80/05/20/918800520.db2.gz IDQYLSKOQBKZBR-CQSZACIVSA-N 1 2 295.408 1.458 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cnc(C)s2)C1 ZINC001107794959 918800525 /nfs/dbraw/zinc/80/05/25/918800525.db2.gz IDQYLSKOQBKZBR-CQSZACIVSA-N 1 2 295.408 1.458 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)C(C)C)C1 ZINC001107806407 918804282 /nfs/dbraw/zinc/80/42/82/918804282.db2.gz DMQHTSCRRBELCO-WBVHZDCISA-N 1 2 294.439 1.899 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)C(C)C)C1 ZINC001107806407 918804297 /nfs/dbraw/zinc/80/42/97/918804297.db2.gz DMQHTSCRRBELCO-WBVHZDCISA-N 1 2 294.439 1.899 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1CC1CCC1 ZINC001032404900 919023904 /nfs/dbraw/zinc/02/39/04/919023904.db2.gz CZQUDKBOJJLLMW-GJZGRUSLSA-N 1 2 298.390 1.215 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1CC1CCC1 ZINC001032404900 919023920 /nfs/dbraw/zinc/02/39/20/919023920.db2.gz CZQUDKBOJJLLMW-GJZGRUSLSA-N 1 2 298.390 1.215 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2CCO[C@@H]2C)CC1 ZINC001001307632 936550780 /nfs/dbraw/zinc/55/07/80/936550780.db2.gz VLDCTDDEJAMNRA-OCCSQVGLSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCO[C@@H]2C)CC1 ZINC001001307632 936550781 /nfs/dbraw/zinc/55/07/81/936550781.db2.gz VLDCTDDEJAMNRA-OCCSQVGLSA-N 1 2 298.814 1.912 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CC(C)(C)C2)C1 ZINC001107916743 919041861 /nfs/dbraw/zinc/04/18/61/919041861.db2.gz MOUHZNVQJHXMHB-KRWDZBQOSA-N 1 2 292.423 1.653 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CC(C)(C)C2)C1 ZINC001107916743 919041872 /nfs/dbraw/zinc/04/18/72/919041872.db2.gz MOUHZNVQJHXMHB-KRWDZBQOSA-N 1 2 292.423 1.653 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H]2CCOC[C@H]2OC)C1 ZINC001042894334 919157444 /nfs/dbraw/zinc/15/74/44/919157444.db2.gz JLOKLQHSZXYTTO-UKRRQHHQSA-N 1 2 296.411 1.147 20 30 CDEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ncco1 ZINC001272802232 919322045 /nfs/dbraw/zinc/32/20/45/919322045.db2.gz LIQNNGWYBLEJIZ-HNNXBMFYSA-N 1 2 273.336 1.265 20 30 CDEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ncco1 ZINC001272802232 919322059 /nfs/dbraw/zinc/32/20/59/919322059.db2.gz LIQNNGWYBLEJIZ-HNNXBMFYSA-N 1 2 273.336 1.265 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2[nH]ncc21 ZINC001032553118 919379770 /nfs/dbraw/zinc/37/97/70/919379770.db2.gz NHEPNUBVXMJTQX-RYUDHWBXSA-N 1 2 280.331 1.095 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2[nH]ncc21 ZINC001032553118 919379784 /nfs/dbraw/zinc/37/97/84/919379784.db2.gz NHEPNUBVXMJTQX-RYUDHWBXSA-N 1 2 280.331 1.095 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCC(=C)C)C1 ZINC001107973939 919427230 /nfs/dbraw/zinc/42/72/30/919427230.db2.gz FLNPCFHOTCOAAN-HNNXBMFYSA-N 1 2 266.385 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCC(=C)C)C1 ZINC001107973939 919427237 /nfs/dbraw/zinc/42/72/37/919427237.db2.gz FLNPCFHOTCOAAN-HNNXBMFYSA-N 1 2 266.385 1.736 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(OC)CC1 ZINC001032593363 919458721 /nfs/dbraw/zinc/45/87/21/919458721.db2.gz FKVSTBVMIQQURV-GQKFXUNGSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(OC)CC1 ZINC001032593363 919458724 /nfs/dbraw/zinc/45/87/24/919458724.db2.gz FKVSTBVMIQQURV-GQKFXUNGSA-N 1 2 276.380 1.110 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000827557081 936598717 /nfs/dbraw/zinc/59/87/17/936598717.db2.gz HEGDVMDIIVYZPJ-YPMHNXCESA-N 1 2 275.352 1.986 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)NCc2cccc(F)c2)CC1 ZINC001185809498 919767291 /nfs/dbraw/zinc/76/72/91/919767291.db2.gz FKQVQYFCXHZXOR-UHFFFAOYSA-N 1 2 277.343 1.839 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(C3CC3)CC2)C1 ZINC001108015382 919957951 /nfs/dbraw/zinc/95/79/51/919957951.db2.gz WOLHHRZCRHYQEV-MRXNPFEDSA-N 1 2 290.407 1.407 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2(C3CC3)CC2)C1 ZINC001108015382 919957961 /nfs/dbraw/zinc/95/79/61/919957961.db2.gz WOLHHRZCRHYQEV-MRXNPFEDSA-N 1 2 290.407 1.407 20 30 CDEDLO CC#CC[NH2+]CC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001205349726 920005181 /nfs/dbraw/zinc/00/51/81/920005181.db2.gz OYOUZDZRUBLIOI-LLVKDONJSA-N 1 2 294.292 1.738 20 30 CDEDLO CC#CC[NH2+]CC1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001205349726 920005193 /nfs/dbraw/zinc/00/51/93/920005193.db2.gz OYOUZDZRUBLIOI-LLVKDONJSA-N 1 2 294.292 1.738 20 30 CDEDLO C=CCOC(=O)N1CC[NH+](Cc2ccc(=O)[nH]c2)CC1 ZINC001139469895 936624049 /nfs/dbraw/zinc/62/40/49/936624049.db2.gz GJSOAYNJXHOSTB-UHFFFAOYSA-N 1 2 277.324 1.227 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001078063027 920087264 /nfs/dbraw/zinc/08/72/64/920087264.db2.gz DBXYCYFPFLNBDT-HZPDHXFCSA-N 1 2 286.375 1.218 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001078063027 920087273 /nfs/dbraw/zinc/08/72/73/920087273.db2.gz DBXYCYFPFLNBDT-HZPDHXFCSA-N 1 2 286.375 1.218 20 30 CDEDLO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1ncc[nH]1)CC2 ZINC001272921755 920089862 /nfs/dbraw/zinc/08/98/62/920089862.db2.gz ODCKSVASIFJMQE-ZDUSSCGKSA-N 1 2 288.395 1.704 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001108028484 920099039 /nfs/dbraw/zinc/09/90/39/920099039.db2.gz GNHCCXXKKUDUDS-RHSMWYFYSA-N 1 2 294.439 1.899 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001108028484 920099050 /nfs/dbraw/zinc/09/90/50/920099050.db2.gz GNHCCXXKKUDUDS-RHSMWYFYSA-N 1 2 294.439 1.899 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(CC)o2)C1 ZINC001108031737 920124010 /nfs/dbraw/zinc/12/40/10/920124010.db2.gz FHVCRAZOYQSEMF-INIZCTEOSA-N 1 2 292.379 1.849 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(CC)o2)C1 ZINC001108031737 920124019 /nfs/dbraw/zinc/12/40/19/920124019.db2.gz FHVCRAZOYQSEMF-INIZCTEOSA-N 1 2 292.379 1.849 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2CC)C1 ZINC001078222703 920162462 /nfs/dbraw/zinc/16/24/62/920162462.db2.gz NEVFGBCPXZBILF-VXGBXAGGSA-N 1 2 280.393 1.271 20 30 CDEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2CC)C1 ZINC001078222703 920162466 /nfs/dbraw/zinc/16/24/66/920162466.db2.gz NEVFGBCPXZBILF-VXGBXAGGSA-N 1 2 280.393 1.271 20 30 CDEDLO Cc1ccc(C[NH+]2CC(N3CCOCC3)C2)cc1C#N ZINC001139726216 936639771 /nfs/dbraw/zinc/63/97/71/936639771.db2.gz AEIDGBIBXIVYFK-UHFFFAOYSA-N 1 2 271.364 1.383 20 30 CDEDLO N#Cc1ccc2[nH]cc(C[N@@H+]3CCO[C@@H](CO)C3)c2c1 ZINC001140109999 936679368 /nfs/dbraw/zinc/67/93/68/936679368.db2.gz CWLOQKDBAFYOTG-CYBMUJFWSA-N 1 2 271.320 1.233 20 30 CDEDLO N#Cc1ccc2[nH]cc(C[N@H+]3CCO[C@@H](CO)C3)c2c1 ZINC001140109999 936679370 /nfs/dbraw/zinc/67/93/70/936679370.db2.gz CWLOQKDBAFYOTG-CYBMUJFWSA-N 1 2 271.320 1.233 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2nc(C(F)(F)F)c[nH]2)CC1 ZINC001188286471 920960145 /nfs/dbraw/zinc/96/01/45/920960145.db2.gz RGNLRTKDSFFRQD-UHFFFAOYSA-N 1 2 288.273 1.372 20 30 CDEDLO CC(C)C#CC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000834709828 936700648 /nfs/dbraw/zinc/70/06/48/936700648.db2.gz WPOWHJKHLBGSMJ-UHFFFAOYSA-N 1 2 266.385 1.215 20 30 CDEDLO CC(C)C#CC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000834709828 936700650 /nfs/dbraw/zinc/70/06/50/936700650.db2.gz WPOWHJKHLBGSMJ-UHFFFAOYSA-N 1 2 266.385 1.215 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(OC)nc2Cl)CC1 ZINC001190091883 921820926 /nfs/dbraw/zinc/82/09/26/921820926.db2.gz LNYQNXKYWZGIPM-UHFFFAOYSA-N 1 2 295.770 1.687 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ncn(C)n2)C1 ZINC001033816919 922383162 /nfs/dbraw/zinc/38/31/62/922383162.db2.gz MSKNVDYIPMPTKJ-LLVKDONJSA-N 1 2 297.790 1.104 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ncn(C)n2)C1 ZINC001033816919 922383172 /nfs/dbraw/zinc/38/31/72/922383172.db2.gz MSKNVDYIPMPTKJ-LLVKDONJSA-N 1 2 297.790 1.104 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C=C2CCC2)[C@H](O)C1 ZINC001090183513 922466041 /nfs/dbraw/zinc/46/60/41/922466041.db2.gz WAOKTMOKDWPSJQ-QWHCGFSZSA-N 1 2 284.787 1.401 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C=C2CCC2)[C@H](O)C1 ZINC001090183513 922466049 /nfs/dbraw/zinc/46/60/49/922466049.db2.gz WAOKTMOKDWPSJQ-QWHCGFSZSA-N 1 2 284.787 1.401 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](F)C(C)C)C1 ZINC001108140538 922739419 /nfs/dbraw/zinc/73/94/19/922739419.db2.gz OQIQGBLDTMSYAL-HIFRSBDPSA-N 1 2 284.375 1.211 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](F)C(C)C)C1 ZINC001108140538 922739427 /nfs/dbraw/zinc/73/94/27/922739427.db2.gz OQIQGBLDTMSYAL-HIFRSBDPSA-N 1 2 284.375 1.211 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C)s2)C1 ZINC001035272993 922947877 /nfs/dbraw/zinc/94/78/77/922947877.db2.gz HLAAWCAADJILMA-GFCCVEGCSA-N 1 2 280.393 1.673 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(C)s2)C1 ZINC001035272993 922947891 /nfs/dbraw/zinc/94/78/91/922947891.db2.gz HLAAWCAADJILMA-GFCCVEGCSA-N 1 2 280.393 1.673 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2CCCCCC2)C1 ZINC001035308857 922959980 /nfs/dbraw/zinc/95/99/80/922959980.db2.gz ASIMVVLNKXOLMG-OAHLLOKOSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C2CCCCCC2)C1 ZINC001035308857 922959989 /nfs/dbraw/zinc/95/99/89/922959989.db2.gz ASIMVVLNKXOLMG-OAHLLOKOSA-N 1 2 280.412 1.960 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCC)[C@H](O)C1 ZINC001099628107 936794414 /nfs/dbraw/zinc/79/44/14/936794414.db2.gz WJGKIYKTLLHEHN-GHMZBOCLSA-N 1 2 260.765 1.090 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCC)[C@H](O)C1 ZINC001099628107 936794417 /nfs/dbraw/zinc/79/44/17/936794417.db2.gz WJGKIYKTLLHEHN-GHMZBOCLSA-N 1 2 260.765 1.090 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C)c(F)c2)C1 ZINC001035435481 922987972 /nfs/dbraw/zinc/98/79/72/922987972.db2.gz QEPGYEWNRBVMBB-AWEZNQCLSA-N 1 2 292.354 1.751 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C)c(F)c2)C1 ZINC001035435481 922987981 /nfs/dbraw/zinc/98/79/81/922987981.db2.gz QEPGYEWNRBVMBB-AWEZNQCLSA-N 1 2 292.354 1.751 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc(C)c(C#N)c2)CC1 ZINC001192289181 922993775 /nfs/dbraw/zinc/99/37/75/922993775.db2.gz NPQHSWWPDJBCAV-UHFFFAOYSA-N 1 2 270.336 1.206 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2csc(C)c2)C1 ZINC001035542875 923000505 /nfs/dbraw/zinc/00/05/05/923000505.db2.gz TVRJDIHVNIDCSJ-ZDUSSCGKSA-N 1 2 280.393 1.673 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2csc(C)c2)C1 ZINC001035542875 923000518 /nfs/dbraw/zinc/00/05/18/923000518.db2.gz TVRJDIHVNIDCSJ-ZDUSSCGKSA-N 1 2 280.393 1.673 20 30 CDEDLO C=CC[NH+]1CC2(C1)CCN(C(=O)C(F)C(F)(F)F)CC2 ZINC001035709653 923034290 /nfs/dbraw/zinc/03/42/90/923034290.db2.gz IURPTZFEXKCNFW-SNVBAGLBSA-N 1 2 294.292 1.997 20 30 CDEDLO C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](F)C(F)(F)F)CC2 ZINC001035709653 923034307 /nfs/dbraw/zinc/03/43/07/923034307.db2.gz IURPTZFEXKCNFW-SNVBAGLBSA-N 1 2 294.292 1.997 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCC#CC)[C@@H](O)C1 ZINC001099959855 936825196 /nfs/dbraw/zinc/82/51/96/936825196.db2.gz KCRZQFWXQPNAOC-KBPBESRZSA-N 1 2 298.814 1.484 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCC#CC)[C@@H](O)C1 ZINC001099959855 936825198 /nfs/dbraw/zinc/82/51/98/936825198.db2.gz KCRZQFWXQPNAOC-KBPBESRZSA-N 1 2 298.814 1.484 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC(C)(F)F)[C@H](O)C1 ZINC001099991828 936829793 /nfs/dbraw/zinc/82/97/93/936829793.db2.gz QJIGGRMXYZAVGS-NXEZZACHSA-N 1 2 296.745 1.336 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC(C)(F)F)[C@H](O)C1 ZINC001099991828 936829794 /nfs/dbraw/zinc/82/97/94/936829794.db2.gz QJIGGRMXYZAVGS-NXEZZACHSA-N 1 2 296.745 1.336 20 30 CDEDLO C=CC[NH+]1CCN(C(=S)NC(=O)c2ccccc2)CC1 ZINC001195400123 924577913 /nfs/dbraw/zinc/57/79/13/924577913.db2.gz PTZSFYACTOQRIO-UHFFFAOYSA-N 1 2 289.404 1.505 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1O ZINC001195740017 924718514 /nfs/dbraw/zinc/71/85/14/924718514.db2.gz XKPYWAQKSPFYSH-CHWSQXEVSA-N 1 2 295.408 1.161 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1O ZINC001195740017 924718521 /nfs/dbraw/zinc/71/85/21/924718521.db2.gz XKPYWAQKSPFYSH-CHWSQXEVSA-N 1 2 295.408 1.161 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccoc2C)[C@H](OC)C1 ZINC001081331955 924731631 /nfs/dbraw/zinc/73/16/31/924731631.db2.gz YECTYTAPWSHTTL-ZIAGYGMSSA-N 1 2 276.336 1.040 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccoc2C)[C@H](OC)C1 ZINC001081331955 924731638 /nfs/dbraw/zinc/73/16/38/924731638.db2.gz YECTYTAPWSHTTL-ZIAGYGMSSA-N 1 2 276.336 1.040 20 30 CDEDLO C=C(C)CCC(=O)N1CCC[N@@H+](Cc2cnnn2C)CC1 ZINC001196011079 924784302 /nfs/dbraw/zinc/78/43/02/924784302.db2.gz XTCGLAHOGDNSBP-UHFFFAOYSA-N 1 2 291.399 1.206 20 30 CDEDLO C=C(C)CCC(=O)N1CCC[N@H+](Cc2cnnn2C)CC1 ZINC001196011079 924784306 /nfs/dbraw/zinc/78/43/06/924784306.db2.gz XTCGLAHOGDNSBP-UHFFFAOYSA-N 1 2 291.399 1.206 20 30 CDEDLO N#Cc1cccc(NC(=S)NCCn2cc[nH+]c2)c1 ZINC001197670881 925190964 /nfs/dbraw/zinc/19/09/64/925190964.db2.gz GOMQJYHCZBYCCI-UHFFFAOYSA-N 1 2 271.349 1.741 20 30 CDEDLO C=CCOCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nocc1C ZINC001152378757 925284903 /nfs/dbraw/zinc/28/49/03/925284903.db2.gz JZQSAZBNAFSCSF-CYBMUJFWSA-N 1 2 295.383 1.512 20 30 CDEDLO C=CCOCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nocc1C ZINC001152378757 925284908 /nfs/dbraw/zinc/28/49/08/925284908.db2.gz JZQSAZBNAFSCSF-CYBMUJFWSA-N 1 2 295.383 1.512 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)CCCC)c1nccn12 ZINC001101608536 936993955 /nfs/dbraw/zinc/99/39/55/936993955.db2.gz FJROKVYEBVYAJF-ZDUSSCGKSA-N 1 2 288.395 1.831 20 30 CDEDLO Cc1ccc(C#N)c(NCCN(C)C(=O)Cn2cc[nH+]c2)n1 ZINC001101671810 936999259 /nfs/dbraw/zinc/99/92/59/936999259.db2.gz HQOXOWPSVRLYPC-UHFFFAOYSA-N 1 2 298.350 1.029 20 30 CDEDLO COCCCC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230519030 925494988 /nfs/dbraw/zinc/49/49/88/925494988.db2.gz NKSLCHXOISAZPO-OAHLLOKOSA-N 1 2 293.411 1.640 20 30 CDEDLO COCCCC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001230519030 925494993 /nfs/dbraw/zinc/49/49/93/925494993.db2.gz NKSLCHXOISAZPO-OAHLLOKOSA-N 1 2 293.411 1.640 20 30 CDEDLO Cc1ncoc1C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231293357 925695572 /nfs/dbraw/zinc/69/55/72/925695572.db2.gz MIIDAGDMLBRUJP-CMPLNLGQSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1ncoc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231293357 925695576 /nfs/dbraw/zinc/69/55/76/925695576.db2.gz MIIDAGDMLBRUJP-CMPLNLGQSA-N 1 2 276.340 1.175 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)sn1 ZINC001085567044 926162397 /nfs/dbraw/zinc/16/23/97/926162397.db2.gz XOOYAIIGPPLIHC-LLVKDONJSA-N 1 2 263.366 1.231 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)sn1 ZINC001085567044 926162403 /nfs/dbraw/zinc/16/24/03/926162403.db2.gz XOOYAIIGPPLIHC-LLVKDONJSA-N 1 2 263.366 1.231 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn(C(F)F)n1 ZINC001085616959 926220340 /nfs/dbraw/zinc/22/03/40/926220340.db2.gz AGOYZLBQVWWZCF-NSHDSACASA-N 1 2 296.321 1.448 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn(C(F)F)n1 ZINC001085616959 926220349 /nfs/dbraw/zinc/22/03/49/926220349.db2.gz AGOYZLBQVWWZCF-NSHDSACASA-N 1 2 296.321 1.448 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C2CC2)nn1C ZINC001085621770 926221587 /nfs/dbraw/zinc/22/15/87/926221587.db2.gz ZRVBZPZJGBIVBF-CYBMUJFWSA-N 1 2 286.379 1.077 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C2CC2)nn1C ZINC001085621770 926221592 /nfs/dbraw/zinc/22/15/92/926221592.db2.gz ZRVBZPZJGBIVBF-CYBMUJFWSA-N 1 2 286.379 1.077 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)[nH]nc1Cl ZINC001085635565 926235068 /nfs/dbraw/zinc/23/50/68/926235068.db2.gz UCUAVGQICMIHKF-LLVKDONJSA-N 1 2 294.786 1.541 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)[nH]nc1Cl ZINC001085635565 926235077 /nfs/dbraw/zinc/23/50/77/926235077.db2.gz UCUAVGQICMIHKF-LLVKDONJSA-N 1 2 294.786 1.541 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc(CCC)c1 ZINC001085654838 926252776 /nfs/dbraw/zinc/25/27/76/926252776.db2.gz ZUDPLLWAHSPETG-MRXNPFEDSA-N 1 2 285.391 1.814 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc(CCC)c1 ZINC001085654838 926252786 /nfs/dbraw/zinc/25/27/86/926252786.db2.gz ZUDPLLWAHSPETG-MRXNPFEDSA-N 1 2 285.391 1.814 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1n[nH]c2c1CCCC2 ZINC001085691239 926292969 /nfs/dbraw/zinc/29/29/69/926292969.db2.gz AITSBXOLXAISRE-GFCCVEGCSA-N 1 2 286.379 1.068 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1n[nH]c2c1CCCC2 ZINC001085691239 926292977 /nfs/dbraw/zinc/29/29/77/926292977.db2.gz AITSBXOLXAISRE-GFCCVEGCSA-N 1 2 286.379 1.068 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1coc(OCC)n1 ZINC001085697930 926293823 /nfs/dbraw/zinc/29/38/23/926293823.db2.gz XNQXBRYNJQFACL-LBPRGKRZSA-N 1 2 291.351 1.243 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1coc(OCC)n1 ZINC001085697930 926293829 /nfs/dbraw/zinc/29/38/29/926293829.db2.gz XNQXBRYNJQFACL-LBPRGKRZSA-N 1 2 291.351 1.243 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccnc(C2CC2)c1 ZINC001085700723 926298146 /nfs/dbraw/zinc/29/81/46/926298146.db2.gz WDPLJVQWMUUHHW-HNNXBMFYSA-N 1 2 283.375 1.739 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccnc(C2CC2)c1 ZINC001085700723 926298152 /nfs/dbraw/zinc/29/81/52/926298152.db2.gz WDPLJVQWMUUHHW-HNNXBMFYSA-N 1 2 283.375 1.739 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(C)(C)C)on1 ZINC001085718293 926322464 /nfs/dbraw/zinc/32/24/64/926322464.db2.gz NFCJYHIEBZXCHO-GFCCVEGCSA-N 1 2 289.379 1.752 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(C)(C)C)on1 ZINC001085718293 926322474 /nfs/dbraw/zinc/32/24/74/926322474.db2.gz NFCJYHIEBZXCHO-GFCCVEGCSA-N 1 2 289.379 1.752 20 30 CDEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1CC ZINC001201575020 926336831 /nfs/dbraw/zinc/33/68/31/926336831.db2.gz HVUUNMYJEQRGBT-LBPRGKRZSA-N 1 2 250.346 1.420 20 30 CDEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1CC ZINC001201575020 926336840 /nfs/dbraw/zinc/33/68/40/926336840.db2.gz HVUUNMYJEQRGBT-LBPRGKRZSA-N 1 2 250.346 1.420 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc2c[nH]nc21 ZINC001085757772 926366039 /nfs/dbraw/zinc/36/60/39/926366039.db2.gz QYUOLYCMACLOME-AWEZNQCLSA-N 1 2 296.374 1.733 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc2c[nH]nc21 ZINC001085757772 926366047 /nfs/dbraw/zinc/36/60/47/926366047.db2.gz QYUOLYCMACLOME-AWEZNQCLSA-N 1 2 296.374 1.733 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@H+]2[C@H](C)C(=O)OCC)C1=O ZINC001273906742 926407627 /nfs/dbraw/zinc/40/76/27/926407627.db2.gz IVZZMBBQDIPCSK-DOMZBBRYSA-N 1 2 280.368 1.191 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2[C@H](C)C(=O)OCC)C1=O ZINC001273906742 926407633 /nfs/dbraw/zinc/40/76/33/926407633.db2.gz IVZZMBBQDIPCSK-DOMZBBRYSA-N 1 2 280.368 1.191 20 30 CDEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2[C@H](C)C(N)=O)CC1 ZINC001085800839 926411313 /nfs/dbraw/zinc/41/13/13/926411313.db2.gz CSIYGNFCZPCINL-TZMCWYRMSA-N 1 2 293.411 1.139 20 30 CDEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2[C@H](C)C(N)=O)CC1 ZINC001085800839 926411319 /nfs/dbraw/zinc/41/13/19/926411319.db2.gz CSIYGNFCZPCINL-TZMCWYRMSA-N 1 2 293.411 1.139 20 30 CDEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2[C@@H](C)C(N)=O)CC1 ZINC001085800837 926411878 /nfs/dbraw/zinc/41/18/78/926411878.db2.gz CSIYGNFCZPCINL-JSGCOSHPSA-N 1 2 293.411 1.139 20 30 CDEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2[C@@H](C)C(N)=O)CC1 ZINC001085800837 926411884 /nfs/dbraw/zinc/41/18/84/926411884.db2.gz CSIYGNFCZPCINL-JSGCOSHPSA-N 1 2 293.411 1.139 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2cc[nH]c2c1 ZINC001085844234 926442320 /nfs/dbraw/zinc/44/23/20/926442320.db2.gz HZBZVOZPQSJNNH-HNNXBMFYSA-N 1 2 281.359 1.947 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2cc[nH]c2c1 ZINC001085844234 926442326 /nfs/dbraw/zinc/44/23/26/926442326.db2.gz HZBZVOZPQSJNNH-HNNXBMFYSA-N 1 2 281.359 1.947 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nc(CC)oc1C ZINC001085868349 926463988 /nfs/dbraw/zinc/46/39/88/926463988.db2.gz NKWJNOQFLFBUDB-LBPRGKRZSA-N 1 2 275.352 1.325 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nc(CC)oc1C ZINC001085868349 926463991 /nfs/dbraw/zinc/46/39/91/926463991.db2.gz NKWJNOQFLFBUDB-LBPRGKRZSA-N 1 2 275.352 1.325 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)C(C)(F)F)C1 ZINC001108220623 926495022 /nfs/dbraw/zinc/49/50/22/926495022.db2.gz JDOABDPOUCBHRR-AAEUAGOBSA-N 1 2 290.354 1.671 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)C(C)(F)F)C1 ZINC001108220623 926495026 /nfs/dbraw/zinc/49/50/26/926495026.db2.gz JDOABDPOUCBHRR-AAEUAGOBSA-N 1 2 290.354 1.671 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1oc(CC)nc1C ZINC001085911709 926500902 /nfs/dbraw/zinc/50/09/02/926500902.db2.gz MDQAGTQCXBPVBK-GFCCVEGCSA-N 1 2 275.352 1.325 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1oc(CC)nc1C ZINC001085911709 926500912 /nfs/dbraw/zinc/50/09/12/926500912.db2.gz MDQAGTQCXBPVBK-GFCCVEGCSA-N 1 2 275.352 1.325 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1OC ZINC001085937506 926525289 /nfs/dbraw/zinc/52/52/89/926525289.db2.gz HRMPDYQACJDSFD-CYBMUJFWSA-N 1 2 272.348 1.475 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1OC ZINC001085937506 926525293 /nfs/dbraw/zinc/52/52/93/926525293.db2.gz HRMPDYQACJDSFD-CYBMUJFWSA-N 1 2 272.348 1.475 20 30 CDEDLO C[C@H]1C[N@H+](Cc2c(F)ccc(C#N)c2F)C[C@H]1O ZINC001143164486 937127440 /nfs/dbraw/zinc/12/74/40/937127440.db2.gz JOXUNCXGAAAMSI-QPUJVOFHSA-N 1 2 252.264 1.649 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2c(F)ccc(C#N)c2F)C[C@H]1O ZINC001143164486 937127442 /nfs/dbraw/zinc/12/74/42/937127442.db2.gz JOXUNCXGAAAMSI-QPUJVOFHSA-N 1 2 252.264 1.649 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC(C)(F)F)C1 ZINC001490559368 927228396 /nfs/dbraw/zinc/22/83/96/927228396.db2.gz YTXUDKOLVGLMOW-SECBINFHSA-N 1 2 266.719 1.975 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC(C)(F)F)C1 ZINC001490559368 927228410 /nfs/dbraw/zinc/22/84/10/927228410.db2.gz YTXUDKOLVGLMOW-SECBINFHSA-N 1 2 266.719 1.975 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(F)c(OC)c2F)CC1 ZINC001143321540 937154232 /nfs/dbraw/zinc/15/42/32/937154232.db2.gz KVHGKICUCBPTCA-UHFFFAOYSA-N 1 2 280.318 1.724 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)CCOC)C1 ZINC001108314448 927389198 /nfs/dbraw/zinc/38/91/98/927389198.db2.gz NVGGHSSNPWKZDS-INIZCTEOSA-N 1 2 298.427 1.442 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)CCOC)C1 ZINC001108314448 927389214 /nfs/dbraw/zinc/38/92/14/927389214.db2.gz NVGGHSSNPWKZDS-INIZCTEOSA-N 1 2 298.427 1.442 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852757905 927860896 /nfs/dbraw/zinc/86/08/96/927860896.db2.gz PZISRAUZSFBKSS-BDAKNGLRSA-N 1 2 250.264 1.561 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NCCn1cncn1 ZINC000853270814 927995986 /nfs/dbraw/zinc/99/59/86/927995986.db2.gz NPWDLPRNHPJDTP-UHFFFAOYSA-N 1 2 271.324 1.577 20 30 CDEDLO Cc1[nH+]cc(C=NNC(=S)NC(C)(C)C)n1C ZINC000853275208 927996463 /nfs/dbraw/zinc/99/64/63/927996463.db2.gz MTODVUTTYIRWGR-UHFFFAOYSA-N 1 2 253.375 1.325 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](CN2C[C@H](C3CC3)CC2=O)C1 ZINC000853525382 928038246 /nfs/dbraw/zinc/03/82/46/928038246.db2.gz VUJDOZXAYHTPGE-GXTWGEPZSA-N 1 2 261.369 1.828 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](CN2C[C@H](C3CC3)CC2=O)C1 ZINC000853525382 928038261 /nfs/dbraw/zinc/03/82/61/928038261.db2.gz VUJDOZXAYHTPGE-GXTWGEPZSA-N 1 2 261.369 1.828 20 30 CDEDLO Cc1nc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C2)oc1C ZINC001206639548 937277356 /nfs/dbraw/zinc/27/73/56/937277356.db2.gz ACHBLJIPMZTMRI-GIPNMCIBSA-N 1 2 290.367 1.388 20 30 CDEDLO Cc1nc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C2)oc1C ZINC001206639548 937277358 /nfs/dbraw/zinc/27/73/58/937277358.db2.gz ACHBLJIPMZTMRI-GIPNMCIBSA-N 1 2 290.367 1.388 20 30 CDEDLO Cc1nc(N2CC[C@](C)(NC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001110754073 928903370 /nfs/dbraw/zinc/90/33/70/928903370.db2.gz UPHQJNWUQKADOX-INIZCTEOSA-N 1 2 284.363 1.283 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)NC(=O)C2CCCC2)CC1 ZINC001112880343 929525181 /nfs/dbraw/zinc/52/51/81/929525181.db2.gz WEIYRVXDGZWKEG-ZDUSSCGKSA-N 1 2 293.411 1.012 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)C2(CCOC)CC2)CC1 ZINC001112942473 929588862 /nfs/dbraw/zinc/58/88/62/929588862.db2.gz ZYCJPIIWEBIRTA-UHFFFAOYSA-N 1 2 266.385 1.523 20 30 CDEDLO C=CCOCC(=O)NC[C@@H](C)[N@H+](CC)Cc1coc(C)n1 ZINC001152370671 937356912 /nfs/dbraw/zinc/35/69/12/937356912.db2.gz LTXHKQQEZWYXFQ-GFCCVEGCSA-N 1 2 295.383 1.512 20 30 CDEDLO C=CCOCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1coc(C)n1 ZINC001152370671 937356914 /nfs/dbraw/zinc/35/69/14/937356914.db2.gz LTXHKQQEZWYXFQ-GFCCVEGCSA-N 1 2 295.383 1.512 20 30 CDEDLO CC[N@H+](Cc1cc(C)on1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152449667 937363371 /nfs/dbraw/zinc/36/33/71/937363371.db2.gz GXIMBSGIFYNXLV-GHMZBOCLSA-N 1 2 278.356 1.469 20 30 CDEDLO CC[N@@H+](Cc1cc(C)on1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152449667 937363375 /nfs/dbraw/zinc/36/33/75/937363375.db2.gz GXIMBSGIFYNXLV-GHMZBOCLSA-N 1 2 278.356 1.469 20 30 CDEDLO N#CCc1cccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)n1 ZINC000882471724 930006126 /nfs/dbraw/zinc/00/61/26/930006126.db2.gz BEJDLUXHIWJRRI-NSHDSACASA-N 1 2 281.319 1.545 20 30 CDEDLO C=C(C)C[C@@H](CO)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000883525495 930221868 /nfs/dbraw/zinc/22/18/68/930221868.db2.gz HAUFGKWPGZCCFI-ZDUSSCGKSA-N 1 2 288.351 1.461 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]c3cnccc23)CC1 ZINC001153004509 937408487 /nfs/dbraw/zinc/40/84/87/937408487.db2.gz XMUURPPZGXWPAV-UHFFFAOYSA-N 1 2 270.336 1.507 20 30 CDEDLO C=CCCOCC(=O)NCC[NH2+]Cc1ncc(CC)o1 ZINC001153081420 937418212 /nfs/dbraw/zinc/41/82/12/937418212.db2.gz RMZPBZSKOBLKTG-UHFFFAOYSA-N 1 2 281.356 1.036 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2cc(C)ccc21 ZINC000884315661 930521469 /nfs/dbraw/zinc/52/14/69/930521469.db2.gz WSUDNNDNTXHHMH-ZDUSSCGKSA-N 1 2 288.347 1.331 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](Nc2ncc(C(N)=O)cc2Cl)C1 ZINC000884613273 930607013 /nfs/dbraw/zinc/60/70/13/930607013.db2.gz IJNHUYJRNDDLNS-LLVKDONJSA-N 1 2 292.770 1.343 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](Nc2ncc(C(N)=O)cc2Cl)C1 ZINC000884613273 930607017 /nfs/dbraw/zinc/60/70/17/930607017.db2.gz IJNHUYJRNDDLNS-LLVKDONJSA-N 1 2 292.770 1.343 20 30 CDEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1ccccc1OCC ZINC001116396395 937446156 /nfs/dbraw/zinc/44/61/56/937446156.db2.gz CCKFIPMBNGBDEP-UHFFFAOYSA-N 1 2 290.363 1.605 20 30 CDEDLO C#CCOCC[N@H+](C)CC(=O)Nc1ccccc1OCC ZINC001116396395 937446158 /nfs/dbraw/zinc/44/61/58/937446158.db2.gz CCKFIPMBNGBDEP-UHFFFAOYSA-N 1 2 290.363 1.605 20 30 CDEDLO COc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1F ZINC000819408658 930798109 /nfs/dbraw/zinc/79/81/09/930798109.db2.gz AVMCLLFZGUSVCJ-LBPRGKRZSA-N 1 2 281.331 1.453 20 30 CDEDLO COc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1F ZINC000819408658 930798116 /nfs/dbraw/zinc/79/81/16/930798116.db2.gz AVMCLLFZGUSVCJ-LBPRGKRZSA-N 1 2 281.331 1.453 20 30 CDEDLO COC(=O)[C@@H](C[C@H]1CCCO1)[NH2+]CCCSCC#N ZINC000886950978 930997420 /nfs/dbraw/zinc/99/74/20/930997420.db2.gz UWPFHWUYSHRQHQ-VXGBXAGGSA-N 1 2 286.397 1.334 20 30 CDEDLO C=CCn1cnn(CN(C)CCCn2cc[nH+]c2)c1=S ZINC001319423032 931186832 /nfs/dbraw/zinc/18/68/32/931186832.db2.gz SWDUBSCSIKEUTQ-UHFFFAOYSA-N 1 2 292.412 1.776 20 30 CDEDLO CC(C)CN(CCC#N)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000786837448 931285329 /nfs/dbraw/zinc/28/53/29/931285329.db2.gz ITLKAHFSAYYNFJ-CYBMUJFWSA-N 1 2 274.368 1.844 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]cc2C)[C@@H](O)C1 ZINC001090803259 931485019 /nfs/dbraw/zinc/48/50/19/931485019.db2.gz ACWXVKJEMSDXNS-OLZOCXBDSA-N 1 2 297.786 1.241 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]cc2C)[C@@H](O)C1 ZINC001090803259 931485021 /nfs/dbraw/zinc/48/50/21/931485021.db2.gz ACWXVKJEMSDXNS-OLZOCXBDSA-N 1 2 297.786 1.241 20 30 CDEDLO C#C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000843968676 931524367 /nfs/dbraw/zinc/52/43/67/931524367.db2.gz YXAMPXAGBKVXNH-LSDHHAIUSA-N 1 2 279.343 1.936 20 30 CDEDLO CNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(C#N)ccc1O)CC2 ZINC001274667550 931538968 /nfs/dbraw/zinc/53/89/68/931538968.db2.gz PFUQZZBIFYIVRS-AWEZNQCLSA-N 1 2 299.374 1.612 20 30 CDEDLO C=C(Cc1ccccc1)C(=O)N(CC)C1C[NH+](C)C1 ZINC001144395719 931797088 /nfs/dbraw/zinc/79/70/88/931797088.db2.gz LTFBJSOWSAAOID-UHFFFAOYSA-N 1 2 258.365 1.948 20 30 CDEDLO C=C(C)CONC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000845601810 931868321 /nfs/dbraw/zinc/86/83/21/931868321.db2.gz OXHBBGXVMVTKNZ-QWHCGFSZSA-N 1 2 278.356 1.983 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1cccc(S(C)(=O)=O)c1 ZINC001117801829 937555153 /nfs/dbraw/zinc/55/51/53/937555153.db2.gz YQNRHYQGNXWHSW-UHFFFAOYSA-N 1 2 281.377 1.172 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1cccc(S(C)(=O)=O)c1 ZINC001117801829 937555155 /nfs/dbraw/zinc/55/51/55/937555155.db2.gz YQNRHYQGNXWHSW-UHFFFAOYSA-N 1 2 281.377 1.172 20 30 CDEDLO O=C(/C=C/C(=O)c1ccccc1)NCCn1cc[nH+]c1 ZINC001144703039 931968791 /nfs/dbraw/zinc/96/87/91/931968791.db2.gz LPRCPGMJNAZRKO-VOTSOKGWSA-N 1 2 269.304 1.438 20 30 CDEDLO C=C(C)CONC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000846539050 932066735 /nfs/dbraw/zinc/06/67/35/932066735.db2.gz OSBIFKVUILETDB-UHFFFAOYSA-N 1 2 282.384 1.645 20 30 CDEDLO COC(=O)C[C@@H]1CCCN(c2cc(CC#N)cc[nH+]2)C1 ZINC001154835899 937594064 /nfs/dbraw/zinc/59/40/64/937594064.db2.gz GJMJPWPIPJOSLW-ZDUSSCGKSA-N 1 2 273.336 1.927 20 30 CDEDLO C=CCCC(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C)o1)C2 ZINC001147159180 932430302 /nfs/dbraw/zinc/43/03/02/932430302.db2.gz PHMXCQFEIIYYMF-UHFFFAOYSA-N 1 2 289.379 1.984 20 30 CDEDLO C=CCCC(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C)o1)C2 ZINC001147159180 932430303 /nfs/dbraw/zinc/43/03/03/932430303.db2.gz PHMXCQFEIIYYMF-UHFFFAOYSA-N 1 2 289.379 1.984 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCCCN(C)c1cc[nH+]c(C)n1 ZINC001095527991 932693656 /nfs/dbraw/zinc/69/36/56/932693656.db2.gz XLOCCUWXGGNMFW-HNNXBMFYSA-N 1 2 292.383 1.055 20 30 CDEDLO C=CCN(C(=O)N[C@H](CC)C[NH+]1CCOCC1)C1CC1 ZINC000925593130 932911981 /nfs/dbraw/zinc/91/19/81/932911981.db2.gz KZQSLJPDJIURCF-CYBMUJFWSA-N 1 2 281.400 1.457 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1cccc2nsnc21)C(C)C ZINC000932390964 933704327 /nfs/dbraw/zinc/70/43/27/933704327.db2.gz RZLUQHCVLIFRDV-UHFFFAOYSA-N 1 2 288.376 1.973 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1cccc2nsnc21)C(C)C ZINC000932390964 933704330 /nfs/dbraw/zinc/70/43/30/933704330.db2.gz RZLUQHCVLIFRDV-UHFFFAOYSA-N 1 2 288.376 1.973 20 30 CDEDLO C[C@H]1C[NH+]=C(NN=Cc2cccc(Br)c2O)N1 ZINC000779792165 934708638 /nfs/dbraw/zinc/70/86/38/934708638.db2.gz JZCHJMXCDWMUAN-ZETCQYMHSA-N 1 2 297.156 1.426 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCOCC1 ZINC001017511721 935234220 /nfs/dbraw/zinc/23/42/20/935234220.db2.gz MGAULXJJGAZQLZ-HRCADAONSA-N 1 2 290.407 1.502 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCOCC1 ZINC001017511721 935234226 /nfs/dbraw/zinc/23/42/26/935234226.db2.gz MGAULXJJGAZQLZ-HRCADAONSA-N 1 2 290.407 1.502 20 30 CDEDLO C[C@@H]1CCN(CC#N)C[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000967359974 935317402 /nfs/dbraw/zinc/31/74/02/935317402.db2.gz ZGIKVVTWYFMZQO-OLZOCXBDSA-N 1 2 297.362 1.298 20 30 CDEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001006944440 935370623 /nfs/dbraw/zinc/37/06/23/935370623.db2.gz IOVXHTNDVRCPFX-GFCCVEGCSA-N 1 2 262.357 1.407 20 30 CDEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001006944440 935370626 /nfs/dbraw/zinc/37/06/26/935370626.db2.gz IOVXHTNDVRCPFX-GFCCVEGCSA-N 1 2 262.357 1.407 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(C(C)C)c1C ZINC001038623183 935419967 /nfs/dbraw/zinc/41/99/67/935419967.db2.gz UGVWKRYBEZZZGP-CQSZACIVSA-N 1 2 273.380 1.815 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(C(C)C)c1C ZINC001038623183 935419971 /nfs/dbraw/zinc/41/99/71/935419971.db2.gz UGVWKRYBEZZZGP-CQSZACIVSA-N 1 2 273.380 1.815 20 30 CDEDLO CC(F)(F)C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001009846380 935434818 /nfs/dbraw/zinc/43/48/18/935434818.db2.gz CEGSVZZBAHSDJK-CQSZACIVSA-N 1 2 292.329 1.884 20 30 CDEDLO CC(F)(F)C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001009846380 935434823 /nfs/dbraw/zinc/43/48/23/935434823.db2.gz CEGSVZZBAHSDJK-CQSZACIVSA-N 1 2 292.329 1.884 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc[nH]2)C1 ZINC001010148185 935446234 /nfs/dbraw/zinc/44/62/34/935446234.db2.gz YKHDHQHMVPZDBG-SNVBAGLBSA-N 1 2 253.733 1.571 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc[nH]2)C1 ZINC001010148185 935446236 /nfs/dbraw/zinc/44/62/36/935446236.db2.gz YKHDHQHMVPZDBG-SNVBAGLBSA-N 1 2 253.733 1.571 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cnc(CC)s2)C1 ZINC001016389415 935612274 /nfs/dbraw/zinc/61/22/74/935612274.db2.gz XAFXUGKJHLKKMN-LLVKDONJSA-N 1 2 277.393 1.533 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cnc(CC)s2)C1 ZINC001016389415 935612277 /nfs/dbraw/zinc/61/22/77/935612277.db2.gz XAFXUGKJHLKKMN-LLVKDONJSA-N 1 2 277.393 1.533 20 30 CDEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1O ZINC001017494474 935640141 /nfs/dbraw/zinc/64/01/41/935640141.db2.gz QEIOFWNXBLCHIC-BETUJISGSA-N 1 2 287.363 1.652 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1O ZINC001017494474 935640144 /nfs/dbraw/zinc/64/01/44/935640144.db2.gz QEIOFWNXBLCHIC-BETUJISGSA-N 1 2 287.363 1.652 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cccc1 ZINC001018191524 935662278 /nfs/dbraw/zinc/66/22/78/935662278.db2.gz AXMWUACOEZXHFT-OAGGEKHMSA-N 1 2 285.391 1.748 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cccc1 ZINC001018191524 935662282 /nfs/dbraw/zinc/66/22/82/935662282.db2.gz AXMWUACOEZXHFT-OAGGEKHMSA-N 1 2 285.391 1.748 20 30 CDEDLO N#CCC[N@H+](Cc1ccccc1)C[C@@H]1CCC(=O)N1 ZINC001202796886 935712142 /nfs/dbraw/zinc/71/21/42/935712142.db2.gz NVJGXXCFBCUOFW-AWEZNQCLSA-N 1 2 257.337 1.681 20 30 CDEDLO N#CCC[N@@H+](Cc1ccccc1)C[C@@H]1CCC(=O)N1 ZINC001202796886 935712143 /nfs/dbraw/zinc/71/21/43/935712143.db2.gz NVJGXXCFBCUOFW-AWEZNQCLSA-N 1 2 257.337 1.681 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001038280366 935739206 /nfs/dbraw/zinc/73/92/06/935739206.db2.gz LPBRKRDAXMASIH-QWHCGFSZSA-N 1 2 286.379 1.218 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001038280366 935739209 /nfs/dbraw/zinc/73/92/09/935739209.db2.gz LPBRKRDAXMASIH-QWHCGFSZSA-N 1 2 286.379 1.218 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001038332930 935741021 /nfs/dbraw/zinc/74/10/21/935741021.db2.gz IGCHHMSTEWLOGQ-WDEREUQCSA-N 1 2 256.296 1.246 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001038332930 935741024 /nfs/dbraw/zinc/74/10/24/935741024.db2.gz IGCHHMSTEWLOGQ-WDEREUQCSA-N 1 2 256.296 1.246 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001038402561 935743367 /nfs/dbraw/zinc/74/33/67/935743367.db2.gz OBWWRPPSCCLTEH-CABCVRRESA-N 1 2 260.381 1.947 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001038402561 935743369 /nfs/dbraw/zinc/74/33/69/935743369.db2.gz OBWWRPPSCCLTEH-CABCVRRESA-N 1 2 260.381 1.947 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)nc1OC ZINC001038782991 935756672 /nfs/dbraw/zinc/75/66/72/935756672.db2.gz QMCXMYNULMLHPP-CYBMUJFWSA-N 1 2 287.363 1.226 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)nc1OC ZINC001038782991 935756674 /nfs/dbraw/zinc/75/66/74/935756674.db2.gz QMCXMYNULMLHPP-CYBMUJFWSA-N 1 2 287.363 1.226 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001038824485 935759063 /nfs/dbraw/zinc/75/90/63/935759063.db2.gz YSHQVDSYTZTPJQ-BBRMVZONSA-N 1 2 298.386 1.837 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001038824485 935759064 /nfs/dbraw/zinc/75/90/64/935759064.db2.gz YSHQVDSYTZTPJQ-BBRMVZONSA-N 1 2 298.386 1.837 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2nc(C)ccc2o1 ZINC001038931630 935762983 /nfs/dbraw/zinc/76/29/83/935762983.db2.gz VQENASNXJOPGJE-CYBMUJFWSA-N 1 2 297.358 1.964 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2nc(C)ccc2o1 ZINC001038931630 935762985 /nfs/dbraw/zinc/76/29/85/935762985.db2.gz VQENASNXJOPGJE-CYBMUJFWSA-N 1 2 297.358 1.964 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(N(CC)CC)cc1 ZINC001038949880 935763352 /nfs/dbraw/zinc/76/33/52/935763352.db2.gz JYLQFPFGOQTQPP-KRWDZBQOSA-N 1 2 299.418 1.970 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N(CC)CC)cc1 ZINC001038949880 935763355 /nfs/dbraw/zinc/76/33/55/935763355.db2.gz JYLQFPFGOQTQPP-KRWDZBQOSA-N 1 2 299.418 1.970 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(OC)c1 ZINC001038955485 935764130 /nfs/dbraw/zinc/76/41/30/935764130.db2.gz JBEQZTGTBBHMNS-CQSZACIVSA-N 1 2 272.348 1.523 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(OC)c1 ZINC001038955485 935764131 /nfs/dbraw/zinc/76/41/31/935764131.db2.gz JBEQZTGTBBHMNS-CQSZACIVSA-N 1 2 272.348 1.523 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001038980843 935765322 /nfs/dbraw/zinc/76/53/22/935765322.db2.gz BYELKSHIWOWGQJ-DZGCQCFKSA-N 1 2 288.778 1.803 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001038980843 935765324 /nfs/dbraw/zinc/76/53/24/935765324.db2.gz BYELKSHIWOWGQJ-DZGCQCFKSA-N 1 2 288.778 1.803 20 30 CDEDLO C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]nnc2c1 ZINC001039013292 935765868 /nfs/dbraw/zinc/76/58/68/935765868.db2.gz RGUYYDCFMZUJRE-CYBMUJFWSA-N 1 2 299.378 1.728 20 30 CDEDLO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]nnc2c1 ZINC001039013292 935765870 /nfs/dbraw/zinc/76/58/70/935765870.db2.gz RGUYYDCFMZUJRE-CYBMUJFWSA-N 1 2 299.378 1.728 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OCC2CC2)cc1 ZINC001039024260 935766601 /nfs/dbraw/zinc/76/66/01/935766601.db2.gz BREJJMKZYVUVNE-MRXNPFEDSA-N 1 2 298.386 1.913 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OCC2CC2)cc1 ZINC001039024260 935766603 /nfs/dbraw/zinc/76/66/03/935766603.db2.gz BREJJMKZYVUVNE-MRXNPFEDSA-N 1 2 298.386 1.913 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccnn2CC(C)C)C1 ZINC001042817188 935830409 /nfs/dbraw/zinc/83/04/09/935830409.db2.gz LETSDHZJTVDNBK-UHFFFAOYSA-N 1 2 288.395 1.319 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2[nH]c(C)cc2C)C1 ZINC001043102712 935833762 /nfs/dbraw/zinc/83/37/62/935833762.db2.gz IHZZRNXWBBJMDU-UHFFFAOYSA-N 1 2 261.369 1.964 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(C)onc2C2CC2)C1 ZINC001043368668 935837440 /nfs/dbraw/zinc/83/74/40/935837440.db2.gz RTWMYMZJLWQYID-UHFFFAOYSA-N 1 2 287.363 1.640 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@@H](OC)C2)C1 ZINC001043692566 935842492 /nfs/dbraw/zinc/84/24/92/935842492.db2.gz OENQRGOOLIFROZ-UKRRQHHQSA-N 1 2 280.412 1.910 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CCc3ccccc3O2)C1 ZINC001044068659 935850328 /nfs/dbraw/zinc/85/03/28/935850328.db2.gz CKSAOYCINKUHSC-QGZVFWFLSA-N 1 2 298.386 1.546 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2C[C@@]23CCOC3)C1 ZINC001044153772 935852944 /nfs/dbraw/zinc/85/29/44/935852944.db2.gz LAEFXVAQRFWTQO-UKRRQHHQSA-N 1 2 264.369 1.132 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000800365727 935899557 /nfs/dbraw/zinc/89/95/57/935899557.db2.gz NAPBKCLOEVGECQ-BFHYXJOUSA-N 1 2 293.367 1.036 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000800365727 935899560 /nfs/dbraw/zinc/89/95/60/935899560.db2.gz NAPBKCLOEVGECQ-BFHYXJOUSA-N 1 2 293.367 1.036 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2c(C)ncn2C)C1 ZINC001046395336 935946661 /nfs/dbraw/zinc/94/66/61/935946661.db2.gz CTAVNDHWVKCXCJ-CQSZACIVSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2c(C)ncn2C)C1 ZINC001046395336 935946664 /nfs/dbraw/zinc/94/66/64/935946664.db2.gz CTAVNDHWVKCXCJ-CQSZACIVSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001046590115 935961263 /nfs/dbraw/zinc/96/12/63/935961263.db2.gz GQTBBRFKYCUUNX-ZDUSSCGKSA-N 1 2 298.774 1.072 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001046590115 935961266 /nfs/dbraw/zinc/96/12/66/935961266.db2.gz GQTBBRFKYCUUNX-ZDUSSCGKSA-N 1 2 298.774 1.072 20 30 CDEDLO C=CCCOCC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096394778 936064171 /nfs/dbraw/zinc/06/41/71/936064171.db2.gz ZKJMQSPJHAELKT-ZDUSSCGKSA-N 1 2 290.367 1.073 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)OCCCc1c[nH+]cn1C ZINC001123066269 936110710 /nfs/dbraw/zinc/11/07/10/936110710.db2.gz PYDIKBPGOFNQCX-UHFFFAOYSA-N 1 2 284.319 1.785 20 30 CDEDLO C#CCCCC(=O)N1C[C@H](Nc2cc[nH+]c(C)n2)C[C@@H]1C ZINC001123224989 936128335 /nfs/dbraw/zinc/12/83/35/936128335.db2.gz UUCYIDAFYKVZNB-GXTWGEPZSA-N 1 2 286.379 1.990 20 30 CDEDLO C#CCCCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097020833 936257608 /nfs/dbraw/zinc/25/76/08/936257608.db2.gz ZBSHYPIINRMXCP-JOCQHMNTSA-N 1 2 272.352 1.648 20 30 CDEDLO C=C(C)CCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC001120647601 937821710 /nfs/dbraw/zinc/82/17/10/937821710.db2.gz HGCRXYUWSNOPEQ-KGLIPLIRSA-N 1 2 266.385 1.664 20 30 CDEDLO C=CCC[C@@H]1CCCN1C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC001120733619 937830727 /nfs/dbraw/zinc/83/07/27/937830727.db2.gz OWYXEWWFSAQUCL-LSDHHAIUSA-N 1 2 279.428 1.580 20 30 CDEDLO Cc1nc(N(C)C)nc(N[C@H]2CC[C@H](C#N)CC2)[nH+]1 ZINC001157055723 938449348 /nfs/dbraw/zinc/44/93/48/938449348.db2.gz RXLWHYZHXSKHGM-XYPYZODXSA-N 1 2 260.345 1.740 20 30 CDEDLO C=C(C)C(=O)OCCNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC001157304826 938478242 /nfs/dbraw/zinc/47/82/42/938478242.db2.gz LHIJNNBXBFYBLX-UHFFFAOYSA-N 1 2 293.371 1.592 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1nc2c(cc1C#N)COCC2 ZINC001157465908 938497664 /nfs/dbraw/zinc/49/76/64/938497664.db2.gz AIPDHYXZMTXPLD-UHFFFAOYSA-N 1 2 297.362 1.749 20 30 CDEDLO C[C@@H](C#N)C(=O)NCCC1=CC[N@H+](Cc2ccon2)CC1 ZINC001159587161 938740363 /nfs/dbraw/zinc/74/03/63/938740363.db2.gz JRKYDSAKFDDVDN-LBPRGKRZSA-N 1 2 288.351 1.473 20 30 CDEDLO C[C@@H](C#N)C(=O)NCCC1=CC[N@@H+](Cc2ccon2)CC1 ZINC001159587161 938740364 /nfs/dbraw/zinc/74/03/64/938740364.db2.gz JRKYDSAKFDDVDN-LBPRGKRZSA-N 1 2 288.351 1.473 20 30 CDEDLO COc1cc(C#N)nc(NC2CN(c3cccc[nH+]3)C2)c1 ZINC001161320877 938888666 /nfs/dbraw/zinc/88/86/66/938888666.db2.gz SGQNZJBGTGYQRA-UHFFFAOYSA-N 1 2 281.319 1.658 20 30 CDEDLO CSc1nc(C)c(C#N)c(NCCCn2cc[nH+]c2)n1 ZINC001161681905 938919866 /nfs/dbraw/zinc/91/98/66/938919866.db2.gz FGBJDSMJDYOZTO-UHFFFAOYSA-N 1 2 288.380 1.499 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNc2cc(CC#N)ccc2[N+](=O)[O-])C1 ZINC001162689484 939119239 /nfs/dbraw/zinc/11/92/39/939119239.db2.gz HEBRMTGCEXQPLM-GFCCVEGCSA-N 1 2 290.323 1.403 20 30 CDEDLO C[N@H+]1CCO[C@H](CNc2cc(CC#N)ccc2[N+](=O)[O-])C1 ZINC001162689484 939119240 /nfs/dbraw/zinc/11/92/40/939119240.db2.gz HEBRMTGCEXQPLM-GFCCVEGCSA-N 1 2 290.323 1.403 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1ncc(C#N)cc1Cl ZINC001162849981 939152846 /nfs/dbraw/zinc/15/28/46/939152846.db2.gz STPVUGXEUJNUEN-JTQLQIEISA-N 1 2 296.758 1.688 20 30 CDEDLO CC(C)(C)[C@H](C[NH+]1CCOCC1)Nc1nccnc1C#N ZINC001162877806 939156321 /nfs/dbraw/zinc/15/63/21/939156321.db2.gz RCKUJKUYAGVNOL-ZDUSSCGKSA-N 1 2 289.383 1.507 20 30 CDEDLO CCc1cc(C[NH+]2CC3(C2)CS(=O)C3)ccc1C#N ZINC001238760709 945241165 /nfs/dbraw/zinc/24/11/65/945241165.db2.gz OJMUVSABXZGVJU-UHFFFAOYSA-N 1 2 274.389 1.685 20 30 CDEDLO C=CC(C)(C)C(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001163948298 939360239 /nfs/dbraw/zinc/36/02/39/939360239.db2.gz DEGFTORKVAIWNY-UHFFFAOYSA-N 1 2 280.372 1.440 20 30 CDEDLO N#Cc1ccnc(N2CC[NH2+]CC(F)(F)C2)c1F ZINC001164493018 939478781 /nfs/dbraw/zinc/47/87/81/939478781.db2.gz KYDKOWJJVQFZHU-UHFFFAOYSA-N 1 2 256.231 1.137 20 30 CDEDLO N#Cc1cc(Cl)nnc1N1CC[NH2+]CC(F)(F)C1 ZINC001164493455 939479089 /nfs/dbraw/zinc/47/90/89/939479089.db2.gz XSYXJYFVRDLXGY-UHFFFAOYSA-N 1 2 273.674 1.047 20 30 CDEDLO C=CCCCC(=O)NCCC[NH2+]Cc1noc(C2CC2)n1 ZINC001165559558 939570581 /nfs/dbraw/zinc/57/05/81/939570581.db2.gz HLPINROAQCSIEB-UHFFFAOYSA-N 1 2 292.383 1.899 20 30 CDEDLO C#Cc1cc(Nc2cncc(S(C)(=O)=O)c2)cc[nH+]1 ZINC001203529814 939691286 /nfs/dbraw/zinc/69/12/86/939691286.db2.gz KCDHTLWWEMTMOB-UHFFFAOYSA-N 1 2 273.317 1.027 20 30 CDEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ncc[nH]1)C2 ZINC001203974729 939717385 /nfs/dbraw/zinc/71/73/85/939717385.db2.gz KTAUZGULILKXMJ-DZGCQCFKSA-N 1 2 277.368 1.736 20 30 CDEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ncc[nH]1)C2 ZINC001203974729 939717387 /nfs/dbraw/zinc/71/73/87/939717387.db2.gz KTAUZGULILKXMJ-DZGCQCFKSA-N 1 2 277.368 1.736 20 30 CDEDLO C[C@@H]1C[NH+](C2CN(Cc3ccccc3C#N)C2)C[C@@H](C)O1 ZINC001204374770 939761448 /nfs/dbraw/zinc/76/14/48/939761448.db2.gz GXMPNARDCRNLOW-ZIAGYGMSSA-N 1 2 285.391 1.852 20 30 CDEDLO C#CCCCC(=O)N1CCC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001207934659 940266273 /nfs/dbraw/zinc/26/62/73/940266273.db2.gz HIJDICKSYYEZIK-LBPRGKRZSA-N 1 2 292.408 1.422 20 30 CDEDLO C#CCCCC(=O)N1CCO[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]21 ZINC001217764603 941018993 /nfs/dbraw/zinc/01/89/93/941018993.db2.gz RNTOQJLDYFCBQF-BPIHMUFXSA-N 1 2 296.798 1.454 20 30 CDEDLO C#CCCCC(=O)N1CCO[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]21 ZINC001217764603 941018998 /nfs/dbraw/zinc/01/89/98/941018998.db2.gz RNTOQJLDYFCBQF-BPIHMUFXSA-N 1 2 296.798 1.454 20 30 CDEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001219490735 941350198 /nfs/dbraw/zinc/35/01/98/941350198.db2.gz WOWNHNCVGLYXBL-DZTBXEGKSA-N 1 2 284.787 1.094 20 30 CDEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001219490735 941350199 /nfs/dbraw/zinc/35/01/99/941350199.db2.gz WOWNHNCVGLYXBL-DZTBXEGKSA-N 1 2 284.787 1.094 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000192134251 941400670 /nfs/dbraw/zinc/40/06/70/941400670.db2.gz RVSCQWUOWLGUFC-UHFFFAOYSA-N 1 2 257.312 1.448 20 30 CDEDLO COc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cc1OC ZINC001225311030 941842677 /nfs/dbraw/zinc/84/26/77/941842677.db2.gz ZAXVGIICWDYODX-FDAWXEHDSA-N 1 2 291.347 1.695 20 30 CDEDLO COc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cc1OC ZINC001225311030 941842682 /nfs/dbraw/zinc/84/26/82/941842682.db2.gz ZAXVGIICWDYODX-FDAWXEHDSA-N 1 2 291.347 1.695 20 30 CDEDLO Cc1cc(=O)[nH]c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C#N ZINC001226221997 941969579 /nfs/dbraw/zinc/96/95/79/941969579.db2.gz RKOIPYCQPJCMFR-GDNZZTSVSA-N 1 2 273.336 1.971 20 30 CDEDLO Cc1cc(=O)[nH]c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C#N ZINC001226221997 941969582 /nfs/dbraw/zinc/96/95/82/941969582.db2.gz RKOIPYCQPJCMFR-GDNZZTSVSA-N 1 2 273.336 1.971 20 30 CDEDLO C[C@@H](C#N)C(=O)NC1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC001226639895 942039624 /nfs/dbraw/zinc/03/96/24/942039624.db2.gz ILIALPLQYKHLNI-RYUDHWBXSA-N 1 2 287.367 1.278 20 30 CDEDLO CCn1ccc(C[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)n1 ZINC001226641282 942040247 /nfs/dbraw/zinc/04/02/47/942040247.db2.gz XPSRRJMUPRLDES-LBPRGKRZSA-N 1 2 289.383 1.143 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2cc(C#N)cc(C#N)c2)C1 ZINC001226899456 942091267 /nfs/dbraw/zinc/09/12/67/942091267.db2.gz QXBKJGUZMJYKPW-AWEZNQCLSA-N 1 2 257.293 1.139 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2cc(C#N)cc(C#N)c2)C1 ZINC001226899456 942091271 /nfs/dbraw/zinc/09/12/71/942091271.db2.gz QXBKJGUZMJYKPW-AWEZNQCLSA-N 1 2 257.293 1.139 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4[nH]ccc4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228979753 942403094 /nfs/dbraw/zinc/40/30/94/942403094.db2.gz BXUAQFWLKJWTGI-QCRWRKDUSA-N 1 2 271.320 1.554 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4[nH]ccc4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228979753 942403096 /nfs/dbraw/zinc/40/30/96/942403096.db2.gz BXUAQFWLKJWTGI-QCRWRKDUSA-N 1 2 271.320 1.554 20 30 CDEDLO C/C(=N\O)c1ccccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001229736665 942522040 /nfs/dbraw/zinc/52/20/40/942522040.db2.gz GUXILPSZGROHKY-VOQHYBMLSA-N 1 2 288.347 1.876 20 30 CDEDLO C/C(=N\O)c1ccccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001229736665 942522049 /nfs/dbraw/zinc/52/20/49/942522049.db2.gz GUXILPSZGROHKY-VOQHYBMLSA-N 1 2 288.347 1.876 20 30 CDEDLO N#CCN[C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001230344169 942609273 /nfs/dbraw/zinc/60/92/73/942609273.db2.gz GPAHNCYTTDAURD-ZIAGYGMSSA-N 1 2 289.383 1.204 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCCC ZINC001230795050 942699620 /nfs/dbraw/zinc/69/96/20/942699620.db2.gz CJOKPQDCCITSTN-KBPBESRZSA-N 1 2 295.427 1.400 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC ZINC001230795050 942699624 /nfs/dbraw/zinc/69/96/24/942699624.db2.gz CJOKPQDCCITSTN-KBPBESRZSA-N 1 2 295.427 1.400 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CSC(C)C ZINC001230819189 942706372 /nfs/dbraw/zinc/70/63/72/942706372.db2.gz OHMCNNZJNLNRHN-GFCCVEGCSA-N 1 2 254.399 1.294 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CSC(C)C ZINC001230819189 942706376 /nfs/dbraw/zinc/70/63/76/942706376.db2.gz OHMCNNZJNLNRHN-GFCCVEGCSA-N 1 2 254.399 1.294 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)OCCC=C ZINC001231095304 942784154 /nfs/dbraw/zinc/78/41/54/942784154.db2.gz OZQFWWDLYZYKGA-UONOGXRCSA-N 1 2 264.369 1.134 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)OCCC=C ZINC001231095304 942784161 /nfs/dbraw/zinc/78/41/61/942784161.db2.gz OZQFWWDLYZYKGA-UONOGXRCSA-N 1 2 264.369 1.134 20 30 CDEDLO C=C(Br)C[N@H+](C)CCCNC(=O)C(C)(F)F ZINC001231153027 942802319 /nfs/dbraw/zinc/80/23/19/942802319.db2.gz DBOPIVJVNXBPKF-UHFFFAOYSA-N 1 2 299.159 1.988 20 30 CDEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)C(C)(F)F ZINC001231153027 942802322 /nfs/dbraw/zinc/80/23/22/942802322.db2.gz DBOPIVJVNXBPKF-UHFFFAOYSA-N 1 2 299.159 1.988 20 30 CDEDLO C#Cc1cccc(C[NH+]2CC(N3CC[C@H](F)C3)C2)c1 ZINC001231664316 942967002 /nfs/dbraw/zinc/96/70/02/942967002.db2.gz YYECUGHMOGEDEY-HNNXBMFYSA-N 1 2 258.340 1.896 20 30 CDEDLO C#Cc1cccc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)c1 ZINC001231664316 942967004 /nfs/dbraw/zinc/96/70/04/942967004.db2.gz YYECUGHMOGEDEY-HNNXBMFYSA-N 1 2 258.340 1.896 20 30 CDEDLO C#Cc1cccc(CN2CC([N@H+]3CC[C@H](F)C3)C2)c1 ZINC001231664316 942967007 /nfs/dbraw/zinc/96/70/07/942967007.db2.gz YYECUGHMOGEDEY-HNNXBMFYSA-N 1 2 258.340 1.896 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(=O)[nH]n2)C1 ZINC001232029428 943107006 /nfs/dbraw/zinc/10/70/06/943107006.db2.gz PRQJQXRNPLEGKP-NSHDSACASA-N 1 2 292.339 1.059 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(=O)[nH]n2)C1 ZINC001232029428 943107011 /nfs/dbraw/zinc/10/70/11/943107011.db2.gz PRQJQXRNPLEGKP-NSHDSACASA-N 1 2 292.339 1.059 20 30 CDEDLO N#Cc1ccnc(C[N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c1 ZINC001232477852 943291392 /nfs/dbraw/zinc/29/13/92/943291392.db2.gz HNFZPIYVKPODDI-GVDBMIGSSA-N 1 2 299.374 1.579 20 30 CDEDLO N#Cc1ccnc(C[N@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c1 ZINC001232477852 943291394 /nfs/dbraw/zinc/29/13/94/943291394.db2.gz HNFZPIYVKPODDI-GVDBMIGSSA-N 1 2 299.374 1.579 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001232888730 943426699 /nfs/dbraw/zinc/42/66/99/943426699.db2.gz NABWMKKZKVYNNQ-KBPBESRZSA-N 1 2 266.291 1.992 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001232888730 943426701 /nfs/dbraw/zinc/42/67/01/943426701.db2.gz NABWMKKZKVYNNQ-KBPBESRZSA-N 1 2 266.291 1.992 20 30 CDEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC001233044035 943473597 /nfs/dbraw/zinc/47/35/97/943473597.db2.gz JSASQUWCTJEHPY-AWEZNQCLSA-N 1 2 268.320 1.935 20 30 CDEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC001233044035 943473600 /nfs/dbraw/zinc/47/36/00/943473600.db2.gz JSASQUWCTJEHPY-AWEZNQCLSA-N 1 2 268.320 1.935 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(F)c(OC)cc2F)CC1 ZINC001233344115 943550171 /nfs/dbraw/zinc/55/01/71/943550171.db2.gz OMIYEWOPIPQBTH-UHFFFAOYSA-N 1 2 280.318 1.724 20 30 CDEDLO C#CCN(CC)c1nnc(Cc2[nH+]ccn2C)n1CC=C ZINC001262990656 943721822 /nfs/dbraw/zinc/72/18/22/943721822.db2.gz JVUDEOZMYFNAAF-UHFFFAOYSA-N 1 2 284.367 1.248 20 30 CDEDLO C[N@H+](CCCNC(=O)CSCC#N)Cc1nccs1 ZINC001234146036 943755490 /nfs/dbraw/zinc/75/54/90/943755490.db2.gz AGNHTXZFJOPVGL-UHFFFAOYSA-N 1 2 298.437 1.338 20 30 CDEDLO C[N@@H+](CCCNC(=O)CSCC#N)Cc1nccs1 ZINC001234146036 943755493 /nfs/dbraw/zinc/75/54/93/943755493.db2.gz AGNHTXZFJOPVGL-UHFFFAOYSA-N 1 2 298.437 1.338 20 30 CDEDLO CC[C@H](F)C[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234162858 943761711 /nfs/dbraw/zinc/76/17/11/943761711.db2.gz VWJALDISRHMGOO-KBPBESRZSA-N 1 2 268.376 1.927 20 30 CDEDLO CC[C@H](F)C[N@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234162858 943761715 /nfs/dbraw/zinc/76/17/15/943761715.db2.gz VWJALDISRHMGOO-KBPBESRZSA-N 1 2 268.376 1.927 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(CCOCC)CCC1 ZINC001234355773 943813718 /nfs/dbraw/zinc/81/37/18/943813718.db2.gz ADNQKBVGUXCLTM-OAHLLOKOSA-N 1 2 292.423 1.749 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(CCOCC)CCC1 ZINC001234355773 943813728 /nfs/dbraw/zinc/81/37/28/943813728.db2.gz ADNQKBVGUXCLTM-OAHLLOKOSA-N 1 2 292.423 1.749 20 30 CDEDLO CC(C)[N@@H+]1CCC[C@H]1C(=O)[C@H](C#N)c1nccn1C ZINC001263331997 943833919 /nfs/dbraw/zinc/83/39/19/943833919.db2.gz DJBIDTVYSNIEAE-RYUDHWBXSA-N 1 2 260.341 1.469 20 30 CDEDLO CC(C)[N@H+]1CCC[C@H]1C(=O)[C@H](C#N)c1nccn1C ZINC001263331997 943833923 /nfs/dbraw/zinc/83/39/23/943833923.db2.gz DJBIDTVYSNIEAE-RYUDHWBXSA-N 1 2 260.341 1.469 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N(C)C[C@@H]1CC[N@@H+]1CCF)OCC ZINC001234644590 943924860 /nfs/dbraw/zinc/92/48/60/943924860.db2.gz VLELPKVOROQPED-UONOGXRCSA-N 1 2 286.391 1.860 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N(C)C[C@@H]1CC[N@H+]1CCF)OCC ZINC001234644590 943924862 /nfs/dbraw/zinc/92/48/62/943924862.db2.gz VLELPKVOROQPED-UONOGXRCSA-N 1 2 286.391 1.860 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(CC#C)CCC1 ZINC001235210708 944094566 /nfs/dbraw/zinc/09/45/66/944094566.db2.gz VGYVSEJKMJVHAV-AWEZNQCLSA-N 1 2 258.365 1.346 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(CC#C)CCC1 ZINC001235210708 944094571 /nfs/dbraw/zinc/09/45/71/944094571.db2.gz VGYVSEJKMJVHAV-AWEZNQCLSA-N 1 2 258.365 1.346 20 30 CDEDLO COCCOCN1CCC[C@]2(CCC[N@H+](CCC#N)C2)C1 ZINC001277938706 944130697 /nfs/dbraw/zinc/13/06/97/944130697.db2.gz DNUXVBBQDJARON-INIZCTEOSA-N 1 2 295.427 1.699 20 30 CDEDLO COCCOCN1CCC[C@]2(CCC[N@@H+](CCC#N)C2)C1 ZINC001277938706 944130704 /nfs/dbraw/zinc/13/07/04/944130704.db2.gz DNUXVBBQDJARON-INIZCTEOSA-N 1 2 295.427 1.699 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1ncccn1 ZINC001235436407 944156252 /nfs/dbraw/zinc/15/62/52/944156252.db2.gz KEUSWEOFWDSBQR-UHFFFAOYSA-N 1 2 262.357 1.381 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1ncccn1 ZINC001235436407 944156253 /nfs/dbraw/zinc/15/62/53/944156253.db2.gz KEUSWEOFWDSBQR-UHFFFAOYSA-N 1 2 262.357 1.381 20 30 CDEDLO N#C[C@H](NC(=O)CCn1cc[nH+]c1)c1ccccc1 ZINC000394037070 944676952 /nfs/dbraw/zinc/67/69/52/944676952.db2.gz MUZQXVXUYBFCFU-ZDUSSCGKSA-N 1 2 254.293 1.654 20 30 CDEDLO CC(=O)N1CCC[N@H+](Cc2cn3cc(C#N)ccc3n2)CC1 ZINC001237609602 944883809 /nfs/dbraw/zinc/88/38/09/944883809.db2.gz VIYKIXWYWFFCPO-UHFFFAOYSA-N 1 2 297.362 1.260 20 30 CDEDLO CC(=O)N1CCC[N@@H+](Cc2cn3cc(C#N)ccc3n2)CC1 ZINC001237609602 944883816 /nfs/dbraw/zinc/88/38/16/944883816.db2.gz VIYKIXWYWFFCPO-UHFFFAOYSA-N 1 2 297.362 1.260 20 30 CDEDLO C=CCS(=O)(=O)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001259929641 945713471 /nfs/dbraw/zinc/71/34/71/945713471.db2.gz NYGSWEMRGCNIQT-CYBMUJFWSA-N 1 2 282.365 1.441 20 30 CDEDLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)N[C@@H]1CC[C@@H](C#N)C1 ZINC001254655959 947575776 /nfs/dbraw/zinc/57/57/76/947575776.db2.gz HAOBMGTUYKQLID-BZPMIXESSA-N 1 2 290.367 1.176 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254922418 947653617 /nfs/dbraw/zinc/65/36/17/947653617.db2.gz QDBXTXAULDXTIC-XNDJQWLSSA-N 1 2 271.382 1.195 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CCNC(=O)C(F)(F)Br ZINC001255165570 947759766 /nfs/dbraw/zinc/75/97/66/947759766.db2.gz YOMZFFNKBHPYHF-SSDOTTSWSA-N 1 2 298.131 1.372 20 30 CDEDLO N#CCC[N@H+](C1CCCC1)C1CCS(=O)(=O)CC1 ZINC001256388817 948298844 /nfs/dbraw/zinc/29/88/44/948298844.db2.gz GMPAVHGHQLTGFD-UHFFFAOYSA-N 1 2 270.398 1.722 20 30 CDEDLO N#CCC[N@@H+](C1CCCC1)C1CCS(=O)(=O)CC1 ZINC001256388817 948298855 /nfs/dbraw/zinc/29/88/55/948298855.db2.gz GMPAVHGHQLTGFD-UHFFFAOYSA-N 1 2 270.398 1.722 20 30 CDEDLO CCOC(=O)C[C@H]([NH2+]C1CCC(C#N)CC1)C(=O)OCC ZINC001256953727 948462171 /nfs/dbraw/zinc/46/21/71/948462171.db2.gz MBEHHOWYKAHVJY-BPCQOVAHSA-N 1 2 296.367 1.543 20 30 CDEDLO CC(C)(C)OC(=O)[C@H](CC(N)=O)[NH2+]C1CCC(C#N)CC1 ZINC001256956432 948463660 /nfs/dbraw/zinc/46/36/60/948463660.db2.gz RQCUOVZOZGRPOP-MCIGGMRASA-N 1 2 295.383 1.244 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)Nc2cc[nH+]c3c2CCC3)cc1 ZINC001258039358 948692901 /nfs/dbraw/zinc/69/29/01/948692901.db2.gz QCMWSDBDFQFEKH-UHFFFAOYSA-N 1 2 299.355 1.665 20 30 CDEDLO C[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2cc(C#N)ccc2F)no1 ZINC001249278644 949497352 /nfs/dbraw/zinc/49/73/52/949497352.db2.gz LLJMABCMVKFDFQ-CABZTGNLSA-N 1 2 288.282 1.485 20 30 CDEDLO C[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2cc(C#N)ccc2F)no1 ZINC001249278644 949497361 /nfs/dbraw/zinc/49/73/61/949497361.db2.gz LLJMABCMVKFDFQ-CABZTGNLSA-N 1 2 288.282 1.485 20 30 CDEDLO C=CCOC[C@H](O)C[NH2+][C@H](C(=O)OCC=C)[C@@H](C)CC ZINC001252487225 951352441 /nfs/dbraw/zinc/35/24/41/951352441.db2.gz OYIFBXWPIXQJCM-MJBXVCDLSA-N 1 2 285.384 1.283 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1Cc2nnn(C)c2[C@H](COCC)C1 ZINC001252595433 951491432 /nfs/dbraw/zinc/49/14/32/951491432.db2.gz HPMINWWUWPZSSW-STQMWFEESA-N 1 2 294.399 1.078 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1Cc2nnn(C)c2[C@H](COCC)C1 ZINC001252595433 951491440 /nfs/dbraw/zinc/49/14/40/951491440.db2.gz HPMINWWUWPZSSW-STQMWFEESA-N 1 2 294.399 1.078 20 30 CDEDLO C=CCC[C@@H](O)C[NH2+][C@@H](CC(C)C)C(=O)OCC ZINC001252613800 951507313 /nfs/dbraw/zinc/50/73/13/951507313.db2.gz BBFPPANCSQKOKX-OLZOCXBDSA-N 1 2 257.374 1.881 20 30 CDEDLO C[N@H+](Cc1cn(CC[C@H]2CO2)nn1)Cc1ccccc1 ZINC001254073710 952183532 /nfs/dbraw/zinc/18/35/32/952183532.db2.gz IITPAOLUUIZJGZ-HNNXBMFYSA-N 1 2 272.352 1.699 20 30 CDEDLO C[N@@H+](Cc1cn(CC[C@H]2CO2)nn1)Cc1ccccc1 ZINC001254073710 952183539 /nfs/dbraw/zinc/18/35/39/952183539.db2.gz IITPAOLUUIZJGZ-HNNXBMFYSA-N 1 2 272.352 1.699 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC001324516939 953423464 /nfs/dbraw/zinc/42/34/64/953423464.db2.gz WLKDCHVFRXZIRU-UHFFFAOYSA-N 1 2 254.311 1.738 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC001324516939 953423469 /nfs/dbraw/zinc/42/34/69/953423469.db2.gz WLKDCHVFRXZIRU-UHFFFAOYSA-N 1 2 254.311 1.738 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C(C)(C)COC ZINC001422175550 955818567 /nfs/dbraw/zinc/81/85/67/955818567.db2.gz UAUXRCJOWIDYQM-UHFFFAOYSA-N 1 2 276.808 1.802 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C(C)(C)COC ZINC001422175550 955818577 /nfs/dbraw/zinc/81/85/77/955818577.db2.gz UAUXRCJOWIDYQM-UHFFFAOYSA-N 1 2 276.808 1.802 20 30 CDEDLO C#CCNC(=O)CC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001330327657 956378775 /nfs/dbraw/zinc/37/87/75/956378775.db2.gz JOAQZJCHEHCPKP-UHFFFAOYSA-N 1 2 273.292 1.050 20 30 CDEDLO C#CCNC(=O)CC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001330327657 956378793 /nfs/dbraw/zinc/37/87/93/956378793.db2.gz JOAQZJCHEHCPKP-UHFFFAOYSA-N 1 2 273.292 1.050 20 30 CDEDLO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1csnn1 ZINC001330652215 956543733 /nfs/dbraw/zinc/54/37/33/956543733.db2.gz LKEKOPFPIIWGRK-SNVBAGLBSA-N 1 2 266.370 1.727 20 30 CDEDLO C#CC[N@H+](CC1CC1)Cn1cc(C(=O)OCC)cn1 ZINC001319704626 958693086 /nfs/dbraw/zinc/69/30/86/958693086.db2.gz NZFAFQMAGRPORZ-UHFFFAOYSA-N 1 2 261.325 1.363 20 30 CDEDLO C#CC[N@@H+](CC1CC1)Cn1cc(C(=O)OCC)cn1 ZINC001319704626 958693092 /nfs/dbraw/zinc/69/30/92/958693092.db2.gz NZFAFQMAGRPORZ-UHFFFAOYSA-N 1 2 261.325 1.363 20 30 CDEDLO C#CCNC(=O)CC[NH2+]Cc1noc(-c2ccccc2C)n1 ZINC001335411571 959782872 /nfs/dbraw/zinc/78/28/72/959782872.db2.gz AADRZAMSWYNBGJ-UHFFFAOYSA-N 1 2 298.346 1.274 20 30 CDEDLO C=C[C@@](C)(O)C(=O)N1CC[NH2+][C@@H](c2cccc(OC)c2)C1 ZINC001336023168 960160780 /nfs/dbraw/zinc/16/07/80/960160780.db2.gz BVEGNXXNFIBSHF-GDBMZVCRSA-N 1 2 290.363 1.105 20 30 CDEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@H](C)C1 ZINC001339879860 962598717 /nfs/dbraw/zinc/59/87/17/962598717.db2.gz FUSHSRDLVLUUDP-LBPRGKRZSA-N 1 2 286.383 1.635 20 30 CDEDLO C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)C[C@@H](C)C#N ZINC001340492156 962964293 /nfs/dbraw/zinc/96/42/93/962964293.db2.gz PTHBTHDFOQKFJO-QWHCGFSZSA-N 1 2 288.399 1.827 20 30 CDEDLO C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N(C)C[C@@H](C)C#N ZINC001340492156 962964305 /nfs/dbraw/zinc/96/43/05/962964305.db2.gz PTHBTHDFOQKFJO-QWHCGFSZSA-N 1 2 288.399 1.827 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cn2ccccc2n1 ZINC001437549266 963008950 /nfs/dbraw/zinc/00/89/50/963008950.db2.gz DWWFFXVNUMOWOB-UHFFFAOYSA-N 1 2 292.770 1.748 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cn2ccccc2n1 ZINC001437549266 963008970 /nfs/dbraw/zinc/00/89/70/963008970.db2.gz DWWFFXVNUMOWOB-UHFFFAOYSA-N 1 2 292.770 1.748 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H]3C)n2CC(=C)C)CC1 ZINC001342762875 963821343 /nfs/dbraw/zinc/82/13/43/963821343.db2.gz ZUDPEOJBVQQXTB-GJZGRUSLSA-N 1 2 299.422 1.733 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@H]3C)n2CC2CC2)CC1 ZINC001346113917 964931316 /nfs/dbraw/zinc/93/13/16/964931316.db2.gz MGYPHGVRDWEWCM-HIFRSBDPSA-N 1 2 299.422 1.567 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ncoc1C ZINC001447996139 966956281 /nfs/dbraw/zinc/95/62/81/966956281.db2.gz MZWTXDYDOUEBHE-VIFPVBQESA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ncoc1C ZINC001447996139 966956285 /nfs/dbraw/zinc/95/62/85/966956285.db2.gz MZWTXDYDOUEBHE-VIFPVBQESA-N 1 2 271.748 1.786 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001351995203 967048732 /nfs/dbraw/zinc/04/87/32/967048732.db2.gz PJPNUUMPTKWLON-LSDHHAIUSA-N 1 2 296.459 1.666 20 30 CDEDLO C#CCCCC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001519060962 970060381 /nfs/dbraw/zinc/06/03/81/970060381.db2.gz VHXKPJDHEXBAMZ-UHFFFAOYSA-N 1 2 259.353 1.930 20 30 CDEDLO C#CCSCC(=O)OCCCc1c[nH+]cn1C ZINC001519078001 970062329 /nfs/dbraw/zinc/06/23/29/970062329.db2.gz ZWBLGNVJRUGOSA-UHFFFAOYSA-N 1 2 252.339 1.262 20 30 CDEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)CCC ZINC001520596433 970205116 /nfs/dbraw/zinc/20/51/16/970205116.db2.gz OCGVSJKUGGKBKT-UHFFFAOYSA-N 1 2 274.372 1.635 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cc1cscn1 ZINC001372140928 972810533 /nfs/dbraw/zinc/81/05/33/972810533.db2.gz KQUDSCOSYRVTJM-UHFFFAOYSA-N 1 2 273.789 1.486 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cc1cscn1 ZINC001372140928 972810551 /nfs/dbraw/zinc/81/05/51/972810551.db2.gz KQUDSCOSYRVTJM-UHFFFAOYSA-N 1 2 273.789 1.486 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)c(F)c1 ZINC001417635093 973219548 /nfs/dbraw/zinc/21/95/48/973219548.db2.gz BXDBAAFFGILWRV-UHFFFAOYSA-N 1 2 297.289 1.996 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)Cc1ccn[nH]1 ZINC001502168074 974715205 /nfs/dbraw/zinc/71/52/05/974715205.db2.gz IEHTUHSQHNSBRW-UHFFFAOYSA-N 1 2 284.791 1.485 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)Cc1ccn[nH]1 ZINC001502168074 974715208 /nfs/dbraw/zinc/71/52/08/974715208.db2.gz IEHTUHSQHNSBRW-UHFFFAOYSA-N 1 2 284.791 1.485 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)Cc1nnc[nH]1 ZINC001377695183 975113765 /nfs/dbraw/zinc/11/37/65/975113765.db2.gz YZKWXKGRWWMBPC-LLVKDONJSA-N 1 2 297.790 1.023 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1nnc[nH]1 ZINC001377695183 975113768 /nfs/dbraw/zinc/11/37/68/975113768.db2.gz YZKWXKGRWWMBPC-LLVKDONJSA-N 1 2 297.790 1.023 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1cnn(CC)c1 ZINC001379865906 976104254 /nfs/dbraw/zinc/10/42/54/976104254.db2.gz NGVIADQBUZQQJA-GFCCVEGCSA-N 1 2 298.818 1.635 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1cnn(CC)c1 ZINC001379865906 976104262 /nfs/dbraw/zinc/10/42/62/976104262.db2.gz NGVIADQBUZQQJA-GFCCVEGCSA-N 1 2 298.818 1.635 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC001406627066 976318213 /nfs/dbraw/zinc/31/82/13/976318213.db2.gz YKDYVPFKTIHTQL-JTQLQIEISA-N 1 2 280.759 1.689 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC001406627066 976318223 /nfs/dbraw/zinc/31/82/23/976318223.db2.gz YKDYVPFKTIHTQL-JTQLQIEISA-N 1 2 280.759 1.689 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1c[nH]nc1CCC ZINC001390780463 976498492 /nfs/dbraw/zinc/49/84/92/976498492.db2.gz UPYZPHURJYIPLK-UHFFFAOYSA-N 1 2 284.791 1.776 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1c[nH]nc1CCC ZINC001390780463 976498494 /nfs/dbraw/zinc/49/84/94/976498494.db2.gz UPYZPHURJYIPLK-UHFFFAOYSA-N 1 2 284.791 1.776 20 30 CDEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)COC ZINC001403975720 977290147 /nfs/dbraw/zinc/29/01/47/977290147.db2.gz ZMXPVPXDNJVVJZ-JTQLQIEISA-N 1 2 291.189 1.122 20 30 CDEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)COC ZINC001403975720 977290150 /nfs/dbraw/zinc/29/01/50/977290150.db2.gz ZMXPVPXDNJVVJZ-JTQLQIEISA-N 1 2 291.189 1.122 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2nncs2)cc1 ZINC001132222872 1163204879 /nfs/dbraw/zinc/20/48/79/1163204879.db2.gz NIDGDYKGKWJPIC-UHFFFAOYSA-N 1 2 286.360 1.039 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nc(CC(C)C)no1 ZINC001132404160 1163270178 /nfs/dbraw/zinc/27/01/78/1163270178.db2.gz SGXUKMUGFKVRIK-UHFFFAOYSA-N 1 2 294.399 1.686 20 30 CDEDLO C=CC[NH+]1CCC([NH2+][C@H](C)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001588838029 984334414 /nfs/dbraw/zinc/33/44/14/984334414.db2.gz AOOLYHDUTQYYRV-RAIGVLPGSA-N 1 2 252.358 1.336 20 30 CDEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001132569056 1163376297 /nfs/dbraw/zinc/37/62/97/1163376297.db2.gz KCSIFYNSSTXVAB-MNOVXSKESA-N 1 2 280.372 1.296 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccccc1CC#N ZINC000601041525 342460846 /nfs/dbraw/zinc/46/08/46/342460846.db2.gz JCUGSUBUXHYUDO-CYBMUJFWSA-N 1 2 287.363 1.203 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccccc1CC#N ZINC000601041525 342460847 /nfs/dbraw/zinc/46/08/47/342460847.db2.gz JCUGSUBUXHYUDO-CYBMUJFWSA-N 1 2 287.363 1.203 20 30 CDEDLO N#C[C@]1(F)CCN(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000589343681 342504027 /nfs/dbraw/zinc/50/40/27/342504027.db2.gz MORUXVHIRIWNTF-CYBMUJFWSA-N 1 2 273.271 1.804 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCn2c[nH+]cc2C1 ZINC000590599079 342579659 /nfs/dbraw/zinc/57/96/59/342579659.db2.gz HFGWULBTHNMNPP-GFCCVEGCSA-N 1 2 295.346 1.598 20 30 CDEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000351619933 361808389 /nfs/dbraw/zinc/80/83/89/361808389.db2.gz OHOVETARKMWHRD-LBPRGKRZSA-N 1 2 251.374 1.869 20 30 CDEDLO C[C@@H](CC#N)[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000589941504 342609686 /nfs/dbraw/zinc/60/96/86/342609686.db2.gz KTKFMMDHVIYDNU-NSHDSACASA-N 1 2 255.321 1.930 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000591258860 342623234 /nfs/dbraw/zinc/62/32/34/342623234.db2.gz AIPQZHFDXHZKFT-GWCFXTLKSA-N 1 2 261.300 1.823 20 30 CDEDLO C[C@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147311 342667759 /nfs/dbraw/zinc/66/77/59/342667759.db2.gz NSXPNVJWJUQWPG-NOZJJQNGSA-N 1 2 262.313 1.358 20 30 CDEDLO C[C@H](c1nc(C2CC2)no1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147311 342667760 /nfs/dbraw/zinc/66/77/60/342667760.db2.gz NSXPNVJWJUQWPG-NOZJJQNGSA-N 1 2 262.313 1.358 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147935 342668016 /nfs/dbraw/zinc/66/80/16/342668016.db2.gz UFYKFUIVZOHDQV-ABAIWWIYSA-N 1 2 291.326 1.503 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147935 342668017 /nfs/dbraw/zinc/66/80/17/342668017.db2.gz UFYKFUIVZOHDQV-ABAIWWIYSA-N 1 2 291.326 1.503 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000592154880 342670110 /nfs/dbraw/zinc/67/01/10/342670110.db2.gz VKEHJZMYVAEZLB-ZDUSSCGKSA-N 1 2 277.280 1.151 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000592154880 342670111 /nfs/dbraw/zinc/67/01/11/342670111.db2.gz VKEHJZMYVAEZLB-ZDUSSCGKSA-N 1 2 277.280 1.151 20 30 CDEDLO CC[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)C(F)F ZINC000592514690 342700934 /nfs/dbraw/zinc/70/09/34/342700934.db2.gz WASWMXZDSSGVIX-SNVBAGLBSA-N 1 2 265.267 1.734 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](CC)CO1 ZINC000593058762 342760307 /nfs/dbraw/zinc/76/03/07/342760307.db2.gz OFZNPCTXGFPKLH-LZWOXQAQSA-N 1 2 295.427 1.930 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](CC)CO1 ZINC000593058762 342760308 /nfs/dbraw/zinc/76/03/08/342760308.db2.gz OFZNPCTXGFPKLH-LZWOXQAQSA-N 1 2 295.427 1.930 20 30 CDEDLO CC[C@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)[C@H](C)CO1 ZINC000593061476 342761051 /nfs/dbraw/zinc/76/10/51/342761051.db2.gz BZMKLKMETRRCKX-KGLIPLIRSA-N 1 2 293.411 1.828 20 30 CDEDLO CC[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)[C@H](C)CO1 ZINC000593061476 342761052 /nfs/dbraw/zinc/76/10/52/342761052.db2.gz BZMKLKMETRRCKX-KGLIPLIRSA-N 1 2 293.411 1.828 20 30 CDEDLO CC[C@H]1C[N@H+](CC(=O)N(CC)CCC#N)[C@H](C)CO1 ZINC000593065175 342761867 /nfs/dbraw/zinc/76/18/67/342761867.db2.gz YTTVHXGHYFCGCP-OLZOCXBDSA-N 1 2 267.373 1.248 20 30 CDEDLO CC[C@H]1C[N@@H+](CC(=O)N(CC)CCC#N)[C@H](C)CO1 ZINC000593065175 342761868 /nfs/dbraw/zinc/76/18/68/342761868.db2.gz YTTVHXGHYFCGCP-OLZOCXBDSA-N 1 2 267.373 1.248 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000593155236 342774428 /nfs/dbraw/zinc/77/44/28/342774428.db2.gz CPBKNKXGMRYTTP-AWEZNQCLSA-N 1 2 288.307 1.107 20 30 CDEDLO CC[C@@H](C#N)C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000593454872 342802378 /nfs/dbraw/zinc/80/23/78/342802378.db2.gz LTKUVLYOLZVGAD-NSHDSACASA-N 1 2 256.309 1.809 20 30 CDEDLO CC(=O)N1CC[N@H+](Cc2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000599309066 344002802 /nfs/dbraw/zinc/00/28/02/344002802.db2.gz DFAHXNVXZHEDGE-ZDUSSCGKSA-N 1 2 271.364 1.919 20 30 CDEDLO CC(=O)N1CC[N@@H+](Cc2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000599309066 344002803 /nfs/dbraw/zinc/00/28/03/344002803.db2.gz DFAHXNVXZHEDGE-ZDUSSCGKSA-N 1 2 271.364 1.919 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000593498795 342808312 /nfs/dbraw/zinc/80/83/12/342808312.db2.gz RCUXFLFFGGEVNV-CYBMUJFWSA-N 1 2 267.373 1.105 20 30 CDEDLO C[C@@H]1CSCCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329721209 361975733 /nfs/dbraw/zinc/97/57/33/361975733.db2.gz MZNFISXFXDEJLG-QWRGUYRKSA-N 1 2 294.424 1.866 20 30 CDEDLO C[C@@H]1CSCCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329721209 361975735 /nfs/dbraw/zinc/97/57/35/361975735.db2.gz MZNFISXFXDEJLG-QWRGUYRKSA-N 1 2 294.424 1.866 20 30 CDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1c[nH+]c[nH]1 ZINC000594297177 342888820 /nfs/dbraw/zinc/88/88/20/342888820.db2.gz CVIMUVMQQKYLST-LLVKDONJSA-N 1 2 268.320 1.776 20 30 CDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1c[nH]c[nH+]1 ZINC000594297177 342888822 /nfs/dbraw/zinc/88/88/22/342888822.db2.gz CVIMUVMQQKYLST-LLVKDONJSA-N 1 2 268.320 1.776 20 30 CDEDLO C=CCC1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCOCC1 ZINC000618248696 342264445 /nfs/dbraw/zinc/26/44/45/342264445.db2.gz RMNKQHIFCGQZOE-ZDUSSCGKSA-N 1 2 289.379 1.687 20 30 CDEDLO Cc1cnc(SC[C@H](O)C[N@H+](C)CCC#N)c(C)c1 ZINC000594733077 342949592 /nfs/dbraw/zinc/94/95/92/342949592.db2.gz QSFRDCLOYHOSDX-CYBMUJFWSA-N 1 2 279.409 1.997 20 30 CDEDLO Cc1cnc(SC[C@H](O)C[N@@H+](C)CCC#N)c(C)c1 ZINC000594733077 342949595 /nfs/dbraw/zinc/94/95/95/342949595.db2.gz QSFRDCLOYHOSDX-CYBMUJFWSA-N 1 2 279.409 1.997 20 30 CDEDLO C#CCN(CC#C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000075399451 342310797 /nfs/dbraw/zinc/31/07/97/342310797.db2.gz XYGXYCSWUUUIBP-UHFFFAOYSA-N 1 2 265.316 1.280 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCCc1ccc(F)cc1 ZINC000076185480 342319870 /nfs/dbraw/zinc/31/98/70/342319870.db2.gz XJSOCQHQECNOMD-UHFFFAOYSA-N 1 2 272.323 1.053 20 30 CDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000448657002 362037008 /nfs/dbraw/zinc/03/70/08/362037008.db2.gz QDVYGWUKBXRPSQ-WBMJQRKESA-N 1 2 284.363 1.848 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)NCc2ccco2)C1 ZINC000595609942 343108330 /nfs/dbraw/zinc/10/83/30/343108330.db2.gz QNHDUZVDRFUZKB-GFCCVEGCSA-N 1 2 261.325 1.521 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](CC(=O)NCc2ccco2)C1 ZINC000595609942 343108331 /nfs/dbraw/zinc/10/83/31/343108331.db2.gz QNHDUZVDRFUZKB-GFCCVEGCSA-N 1 2 261.325 1.521 20 30 CDEDLO Cn1cc(N2CC[C@@H]([N@@H+]3CCC[C@H](CC#N)C3)C2=O)cn1 ZINC000595616576 343110271 /nfs/dbraw/zinc/11/02/71/343110271.db2.gz UYPITMRKFLQSDT-TZMCWYRMSA-N 1 2 287.367 1.151 20 30 CDEDLO Cn1cc(N2CC[C@@H]([N@H+]3CCC[C@H](CC#N)C3)C2=O)cn1 ZINC000595616576 343110272 /nfs/dbraw/zinc/11/02/72/343110272.db2.gz UYPITMRKFLQSDT-TZMCWYRMSA-N 1 2 287.367 1.151 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COCc1ccccc1F ZINC000078320910 342335651 /nfs/dbraw/zinc/33/56/51/342335651.db2.gz DGCDYXHVWDWRMY-ZDUSSCGKSA-N 1 2 266.316 1.549 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COCc1ccccc1F ZINC000078320910 342335652 /nfs/dbraw/zinc/33/56/52/342335652.db2.gz DGCDYXHVWDWRMY-ZDUSSCGKSA-N 1 2 266.316 1.549 20 30 CDEDLO N#Cc1sccc1N1CC[NH+](CCc2c[nH]nn2)CC1 ZINC000595629673 343112965 /nfs/dbraw/zinc/11/29/65/343112965.db2.gz IFTSQRSFXKRYSC-UHFFFAOYSA-N 1 2 288.380 1.103 20 30 CDEDLO N#Cc1sccc1N1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000595629673 343112966 /nfs/dbraw/zinc/11/29/66/343112966.db2.gz IFTSQRSFXKRYSC-UHFFFAOYSA-N 1 2 288.380 1.103 20 30 CDEDLO Cn1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)cn1 ZINC000595630827 343113505 /nfs/dbraw/zinc/11/35/05/343113505.db2.gz MAWAHCVQSHWZQK-UHFFFAOYSA-N 1 2 287.392 1.675 20 30 CDEDLO C=CCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000595724055 343139955 /nfs/dbraw/zinc/13/99/55/343139955.db2.gz WKOPZRTVXBJBSE-UHFFFAOYSA-N 1 2 298.390 1.962 20 30 CDEDLO Cc1cc(C[N@@H+](C)Cc2cn(C)nn2)ccc1C#N ZINC000595760442 343143801 /nfs/dbraw/zinc/14/38/01/343143801.db2.gz SROAXLGTWZETIV-UHFFFAOYSA-N 1 2 255.325 1.627 20 30 CDEDLO Cc1cc(C[N@H+](C)Cc2cn(C)nn2)ccc1C#N ZINC000595760442 343143803 /nfs/dbraw/zinc/14/38/03/343143803.db2.gz SROAXLGTWZETIV-UHFFFAOYSA-N 1 2 255.325 1.627 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1N(c2cc(C#N)cnn2)CC1(C)C ZINC000596002246 343207016 /nfs/dbraw/zinc/20/70/16/343207016.db2.gz FPJLPDJJELLOCP-LBPRGKRZSA-N 1 2 268.324 1.669 20 30 CDEDLO Cn1ncc(C#N)c1N1CCN(c2cccc[nH+]2)CC1 ZINC000596055720 343222348 /nfs/dbraw/zinc/22/23/48/343222348.db2.gz LWXUPBUEPSUVGN-UHFFFAOYSA-N 1 2 268.324 1.013 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1cnccn1 ZINC000080966167 342362423 /nfs/dbraw/zinc/36/24/23/342362423.db2.gz YWXZOUOVOCAQIX-SWLSCSKDSA-N 1 2 289.383 1.351 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1cnccn1 ZINC000080966167 342362424 /nfs/dbraw/zinc/36/24/24/342362424.db2.gz YWXZOUOVOCAQIX-SWLSCSKDSA-N 1 2 289.383 1.351 20 30 CDEDLO N#Cc1nc(N[C@H]2CC[N@@H+](C3CC3)C2)sc1Cl ZINC000596092898 343234712 /nfs/dbraw/zinc/23/47/12/343234712.db2.gz XIJWRSBGFWANIB-ZETCQYMHSA-N 1 2 268.773 1.739 20 30 CDEDLO N#Cc1nc(N[C@H]2CC[N@H+](C3CC3)C2)sc1Cl ZINC000596092898 343234715 /nfs/dbraw/zinc/23/47/15/343234715.db2.gz XIJWRSBGFWANIB-ZETCQYMHSA-N 1 2 268.773 1.739 20 30 CDEDLO N#Cc1cnnc(N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000596154072 343246914 /nfs/dbraw/zinc/24/69/14/343246914.db2.gz KDGITNMSZGMBPH-NSHDSACASA-N 1 2 254.297 1.803 20 30 CDEDLO C[C@@H]1C[N@H+](CCNc2ncc(C#N)cc2F)[C@H](C)CO1 ZINC000596427267 343311971 /nfs/dbraw/zinc/31/19/71/343311971.db2.gz DWVDCJHNRCQFOE-GHMZBOCLSA-N 1 2 278.331 1.613 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNc2ncc(C#N)cc2F)[C@H](C)CO1 ZINC000596427267 343311972 /nfs/dbraw/zinc/31/19/72/343311972.db2.gz DWVDCJHNRCQFOE-GHMZBOCLSA-N 1 2 278.331 1.613 20 30 CDEDLO CC1(C)C[N@H+](CC(=O)NCC#N)[C@@H]1c1ccncc1 ZINC000596591688 343350592 /nfs/dbraw/zinc/35/05/92/343350592.db2.gz JXRNKWPKWUCTKH-CYBMUJFWSA-N 1 2 258.325 1.104 20 30 CDEDLO CC1(C)C[N@@H+](CC(=O)NCC#N)[C@@H]1c1ccncc1 ZINC000596591688 343350593 /nfs/dbraw/zinc/35/05/93/343350593.db2.gz JXRNKWPKWUCTKH-CYBMUJFWSA-N 1 2 258.325 1.104 20 30 CDEDLO COc1nc(C[NH2+]Cc2ccc(C#N)cn2)ccc1C ZINC001658261312 1172026327 /nfs/dbraw/zinc/02/63/27/1172026327.db2.gz BAIBKOXXPZVSDA-UHFFFAOYSA-N 1 2 268.320 1.955 20 30 CDEDLO C[C@@H]1[C@H](C)OCCN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330198586 362176981 /nfs/dbraw/zinc/17/69/81/362176981.db2.gz UHCWAVRGPSZVLJ-GRYCIOLGSA-N 1 2 278.356 1.221 20 30 CDEDLO C=CC[N@@H+](Cc1ccn(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361226 342411547 /nfs/dbraw/zinc/41/15/47/342411547.db2.gz GGMHBHHJCJNEMI-ZDUSSCGKSA-N 1 2 268.382 1.200 20 30 CDEDLO C=CC[N@H+](Cc1ccn(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361226 342411548 /nfs/dbraw/zinc/41/15/48/342411548.db2.gz GGMHBHHJCJNEMI-ZDUSSCGKSA-N 1 2 268.382 1.200 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1cccc(C#N)c1 ZINC000596741025 343381644 /nfs/dbraw/zinc/38/16/44/343381644.db2.gz KENHOQWTQLPUNI-ZIAGYGMSSA-N 1 2 280.331 1.712 20 30 CDEDLO COc1nn(C)cc1NC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330232254 362185276 /nfs/dbraw/zinc/18/52/76/362185276.db2.gz RMCBSOABRIYSDP-LLVKDONJSA-N 1 2 264.329 1.644 20 30 CDEDLO COc1nn(C)cc1NC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000330232254 362185279 /nfs/dbraw/zinc/18/52/79/362185279.db2.gz RMCBSOABRIYSDP-LLVKDONJSA-N 1 2 264.329 1.644 20 30 CDEDLO COCC[N@H+](CCC#N)C[C@H](O)COc1ccccc1C ZINC000072690524 349812069 /nfs/dbraw/zinc/81/20/69/349812069.db2.gz HHZSWUHEFPNCOV-HNNXBMFYSA-N 1 2 292.379 1.597 20 30 CDEDLO COCC[N@@H+](CCC#N)C[C@H](O)COc1ccccc1C ZINC000072690524 349812077 /nfs/dbraw/zinc/81/20/77/349812077.db2.gz HHZSWUHEFPNCOV-HNNXBMFYSA-N 1 2 292.379 1.597 20 30 CDEDLO Cn1cnnc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000535758856 282280081 /nfs/dbraw/zinc/28/00/81/282280081.db2.gz TXBOYIOMDYAQKX-UHFFFAOYSA-N 1 2 279.347 1.976 20 30 CDEDLO Cn1cnnc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000535758856 282280085 /nfs/dbraw/zinc/28/00/85/282280085.db2.gz TXBOYIOMDYAQKX-UHFFFAOYSA-N 1 2 279.347 1.976 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1ccc(C#N)cc1 ZINC000597894294 343660439 /nfs/dbraw/zinc/66/04/39/343660439.db2.gz NTSUBTNGDFFONB-GFCCVEGCSA-N 1 2 282.347 1.819 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCc1ccc(C#N)cc1 ZINC000597894294 343660442 /nfs/dbraw/zinc/66/04/42/343660442.db2.gz NTSUBTNGDFFONB-GFCCVEGCSA-N 1 2 282.347 1.819 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)C2(C#N)CCCC2)[C@H](C)CO1 ZINC000598000492 343685694 /nfs/dbraw/zinc/68/56/94/343685694.db2.gz VFQJGWSRDIPLAW-CHWSQXEVSA-N 1 2 279.384 1.296 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)C2(C#N)CCCC2)[C@H](C)CO1 ZINC000598000492 343685697 /nfs/dbraw/zinc/68/56/97/343685697.db2.gz VFQJGWSRDIPLAW-CHWSQXEVSA-N 1 2 279.384 1.296 20 30 CDEDLO CC[C@@H](C(=O)N([C@@H](C)C#N)C1CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000598135975 343724727 /nfs/dbraw/zinc/72/47/27/343724727.db2.gz FARQOSNWNFJSNX-CFVMTHIKSA-N 1 2 293.411 1.779 20 30 CDEDLO CC[C@@H](C(=O)N([C@@H](C)C#N)C1CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000598135975 343724730 /nfs/dbraw/zinc/72/47/30/343724730.db2.gz FARQOSNWNFJSNX-CFVMTHIKSA-N 1 2 293.411 1.779 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(CC(=O)OCC)CC1 ZINC000619716506 349866995 /nfs/dbraw/zinc/86/69/95/349866995.db2.gz RBVSEHUGBIXCRL-LBPRGKRZSA-N 1 2 269.341 1.379 20 30 CDEDLO COC(=O)[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1CCCCC1 ZINC000598612642 343842363 /nfs/dbraw/zinc/84/23/63/343842363.db2.gz QNJKGOFYBMRXGE-KBPBESRZSA-N 1 2 296.411 1.999 20 30 CDEDLO Cc1cc(C)cc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000598836311 343914465 /nfs/dbraw/zinc/91/44/65/343914465.db2.gz FZAHTMKHOHXEAR-MRXNPFEDSA-N 1 2 273.380 1.806 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599655759 344105259 /nfs/dbraw/zinc/10/52/59/344105259.db2.gz OQLWUROTUDAVJC-VHDGCEQUSA-N 1 2 288.347 1.475 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599655759 344105261 /nfs/dbraw/zinc/10/52/61/344105261.db2.gz OQLWUROTUDAVJC-VHDGCEQUSA-N 1 2 288.347 1.475 20 30 CDEDLO COC(=O)[C@@H](COC(C)C)[N@H+](C)CC1(CC#N)CC1 ZINC000602784273 344598217 /nfs/dbraw/zinc/59/82/17/344598217.db2.gz MSWNCDSPQGBSMC-GFCCVEGCSA-N 1 2 268.357 1.579 20 30 CDEDLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)CC1(CC#N)CC1 ZINC000602784273 344598219 /nfs/dbraw/zinc/59/82/19/344598219.db2.gz MSWNCDSPQGBSMC-GFCCVEGCSA-N 1 2 268.357 1.579 20 30 CDEDLO Cc1nccnc1C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000602795790 344586402 /nfs/dbraw/zinc/58/64/02/344586402.db2.gz OITHZPGNTVDKOZ-HNNXBMFYSA-N 1 2 273.384 1.451 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1ccccc1C#N ZINC000602861906 344617498 /nfs/dbraw/zinc/61/74/98/344617498.db2.gz IBCKRCBJNDAJGP-WDEREUQCSA-N 1 2 256.309 1.777 20 30 CDEDLO COc1ccc(CNC(=O)C[NH2+][C@@H](C)CC#N)cc1OC ZINC000602863293 344624091 /nfs/dbraw/zinc/62/40/91/344624091.db2.gz MOZZHYHQJUEDBQ-NSHDSACASA-N 1 2 291.351 1.212 20 30 CDEDLO COC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)CC#N)c1 ZINC000602870795 344641146 /nfs/dbraw/zinc/64/11/46/344641146.db2.gz XDAOQDBEHGQABJ-SNVBAGLBSA-N 1 2 275.308 1.303 20 30 CDEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2cccnc2)CC1 ZINC000609485604 344914951 /nfs/dbraw/zinc/91/49/51/344914951.db2.gz TUFMWZQHBQWULE-HNNXBMFYSA-N 1 2 258.369 1.747 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635766430 362526376 /nfs/dbraw/zinc/52/63/76/362526376.db2.gz MZRSXBBRTLLOOB-LBPRGKRZSA-N 1 2 273.336 1.557 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000249276502 362605766 /nfs/dbraw/zinc/60/57/66/362605766.db2.gz DHMZCWVKAZFWKJ-QWHCGFSZSA-N 1 2 266.728 1.139 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000249276502 362605771 /nfs/dbraw/zinc/60/57/71/362605771.db2.gz DHMZCWVKAZFWKJ-QWHCGFSZSA-N 1 2 266.728 1.139 20 30 CDEDLO N#Cc1nnc2ccccc2c1-n1c[nH+]c(CCCO)c1 ZINC000610130556 346205744 /nfs/dbraw/zinc/20/57/44/346205744.db2.gz SHMNSPAQQHHOCS-UHFFFAOYSA-N 1 2 279.303 1.612 20 30 CDEDLO COCC[N@H+](CCC#N)C[C@@H](O)COc1ccc(F)cc1 ZINC000610392010 346269784 /nfs/dbraw/zinc/26/97/84/346269784.db2.gz XKLAVLLBHGFMCG-CQSZACIVSA-N 1 2 296.342 1.427 20 30 CDEDLO COCC[N@@H+](CCC#N)C[C@@H](O)COc1ccc(F)cc1 ZINC000610392010 346269785 /nfs/dbraw/zinc/26/97/85/346269785.db2.gz XKLAVLLBHGFMCG-CQSZACIVSA-N 1 2 296.342 1.427 20 30 CDEDLO CC[C@@](C)(C#N)c1nc([C@H]2C[N@H+](C)CCN2C)no1 ZINC000350051857 346325097 /nfs/dbraw/zinc/32/50/97/346325097.db2.gz RJIWIZNOGYILLU-MFKMUULPSA-N 1 2 263.345 1.179 20 30 CDEDLO CC[C@@](C)(C#N)c1nc([C@H]2C[N@@H+](C)CCN2C)no1 ZINC000350051857 346325099 /nfs/dbraw/zinc/32/50/99/346325099.db2.gz RJIWIZNOGYILLU-MFKMUULPSA-N 1 2 263.345 1.179 20 30 CDEDLO CC(C)c1nnc2n1CC[N@@H+](Cc1ccnc(C#N)c1)C2 ZINC000610992953 346568847 /nfs/dbraw/zinc/56/88/47/346568847.db2.gz VYDJWUONIIIMAS-UHFFFAOYSA-N 1 2 282.351 1.684 20 30 CDEDLO CC(C)c1nnc2n1CC[N@H+](Cc1ccnc(C#N)c1)C2 ZINC000610992953 346568853 /nfs/dbraw/zinc/56/88/53/346568853.db2.gz VYDJWUONIIIMAS-UHFFFAOYSA-N 1 2 282.351 1.684 20 30 CDEDLO N#CCCN1CC[NH+](CC[S@](=O)c2ccccc2)CC1 ZINC000611174816 346628161 /nfs/dbraw/zinc/62/81/61/346628161.db2.gz QPQNBPUIMYCMLE-FQEVSTJZSA-N 1 2 291.420 1.325 20 30 CDEDLO N#Cc1cc(C(=O)NCC[NH+]2Cc3ccccc3C2)c[nH]1 ZINC000611472007 346796094 /nfs/dbraw/zinc/79/60/94/346796094.db2.gz YEGGTZKVZLQZFP-UHFFFAOYSA-N 1 2 280.331 1.632 20 30 CDEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@]2(C#N)C[C@@H]2C)CC1 ZINC000449868568 362776567 /nfs/dbraw/zinc/77/65/67/362776567.db2.gz IWYAIKQVBPVYDQ-JJRVBVJISA-N 1 2 298.390 1.837 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cc(F)cc(C#N)c1 ZINC000414131063 362921768 /nfs/dbraw/zinc/92/17/68/362921768.db2.gz YTWMPUIJKYVHKZ-CYBMUJFWSA-N 1 2 277.299 1.283 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cc(F)cc(C#N)c1 ZINC000414131063 362921771 /nfs/dbraw/zinc/92/17/71/362921771.db2.gz YTWMPUIJKYVHKZ-CYBMUJFWSA-N 1 2 277.299 1.283 20 30 CDEDLO Cc1cc(F)ccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414119219 362926025 /nfs/dbraw/zinc/92/60/25/362926025.db2.gz CNLLDOKFBQYNLT-CYBMUJFWSA-N 1 2 266.316 1.719 20 30 CDEDLO Cc1cc(F)ccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414119219 362926028 /nfs/dbraw/zinc/92/60/28/362926028.db2.gz CNLLDOKFBQYNLT-CYBMUJFWSA-N 1 2 266.316 1.719 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615534599 348578088 /nfs/dbraw/zinc/57/80/88/348578088.db2.gz KVRANYBDKLUIKU-ZDUSSCGKSA-N 1 2 266.385 1.522 20 30 CDEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCOCC(F)F)CC1 ZINC000615793195 348730510 /nfs/dbraw/zinc/73/05/10/348730510.db2.gz CHIZTQGGCDDFAW-GFCCVEGCSA-N 1 2 275.343 1.434 20 30 CDEDLO Cc1nc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)oc1C ZINC000064140306 348935993 /nfs/dbraw/zinc/93/59/93/348935993.db2.gz XKVQUPGMVCRPIE-UHFFFAOYSA-N 1 2 297.362 1.880 20 30 CDEDLO COc1cccc(CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)C#N)c1 ZINC000064795865 348947123 /nfs/dbraw/zinc/94/71/23/348947123.db2.gz DGROVULDNQJLIW-OLZOCXBDSA-N 1 2 289.379 1.791 20 30 CDEDLO COc1cccc(CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)C#N)c1 ZINC000064795865 348947124 /nfs/dbraw/zinc/94/71/24/348947124.db2.gz DGROVULDNQJLIW-OLZOCXBDSA-N 1 2 289.379 1.791 20 30 CDEDLO COC(=O)c1cc(C[N@H+](C)Cc2cccc(C#N)c2)on1 ZINC000602441551 350110211 /nfs/dbraw/zinc/11/02/11/350110211.db2.gz PKEZTGLHSBKJQY-UHFFFAOYSA-N 1 2 285.303 1.965 20 30 CDEDLO COC(=O)c1cc(C[N@@H+](C)Cc2cccc(C#N)c2)on1 ZINC000602441551 350110213 /nfs/dbraw/zinc/11/02/13/350110213.db2.gz PKEZTGLHSBKJQY-UHFFFAOYSA-N 1 2 285.303 1.965 20 30 CDEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cccc(C#N)n1)CCO2 ZINC000602646908 350136011 /nfs/dbraw/zinc/13/60/11/350136011.db2.gz DUAANSWSBXBZDF-SWLSCSKDSA-N 1 2 273.336 1.333 20 30 CDEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cccc(C#N)n1)CCO2 ZINC000602646908 350136013 /nfs/dbraw/zinc/13/60/13/350136013.db2.gz DUAANSWSBXBZDF-SWLSCSKDSA-N 1 2 273.336 1.333 20 30 CDEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)n2)CC2(CCOCC2)O1 ZINC000602644005 350136453 /nfs/dbraw/zinc/13/64/53/350136453.db2.gz PNJRAWLDXLFBDQ-ZDUSSCGKSA-N 1 2 287.363 1.723 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)n2)CC2(CCOCC2)O1 ZINC000602644005 350136456 /nfs/dbraw/zinc/13/64/56/350136456.db2.gz PNJRAWLDXLFBDQ-ZDUSSCGKSA-N 1 2 287.363 1.723 20 30 CDEDLO CC1(F)CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000602992836 350174417 /nfs/dbraw/zinc/17/44/17/350174417.db2.gz HOUVFBAIRRJUIX-CYBMUJFWSA-N 1 2 275.327 1.909 20 30 CDEDLO C=C(Br)C[N@H+](C)CCc1cnccn1 ZINC000271319510 191070782 /nfs/dbraw/zinc/07/07/82/191070782.db2.gz JMTFAFWGYUKLHN-UHFFFAOYSA-N 1 2 256.147 1.860 20 30 CDEDLO C=C(Br)C[N@@H+](C)CCc1cnccn1 ZINC000271319510 191070783 /nfs/dbraw/zinc/07/07/83/191070783.db2.gz JMTFAFWGYUKLHN-UHFFFAOYSA-N 1 2 256.147 1.860 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620606428 350280509 /nfs/dbraw/zinc/28/05/09/350280509.db2.gz SNHOKVOQEWDTIC-FZMZJTMJSA-N 1 2 265.357 1.826 20 30 CDEDLO COCC[N@H+](Cc1ccc(C#N)cc1F)[C@H](C)C(N)=O ZINC000106314231 186108992 /nfs/dbraw/zinc/10/89/92/186108992.db2.gz WVBOYCDGCAELLA-SNVBAGLBSA-N 1 2 279.315 1.020 20 30 CDEDLO COCC[N@@H+](Cc1ccc(C#N)cc1F)[C@H](C)C(N)=O ZINC000106314231 186108993 /nfs/dbraw/zinc/10/89/93/186108993.db2.gz WVBOYCDGCAELLA-SNVBAGLBSA-N 1 2 279.315 1.020 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCC(=O)CC23CCC3)C1=O ZINC000653765271 412556130 /nfs/dbraw/zinc/55/61/30/412556130.db2.gz MADLHUOQQAEMDR-CYBMUJFWSA-N 1 2 262.353 1.361 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCC(=O)CC23CCC3)C1=O ZINC000653765271 412556133 /nfs/dbraw/zinc/55/61/33/412556133.db2.gz MADLHUOQQAEMDR-CYBMUJFWSA-N 1 2 262.353 1.361 20 30 CDEDLO CC[C@@](C)(C#N)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000069663320 351198978 /nfs/dbraw/zinc/19/89/78/351198978.db2.gz OAXAZYWXLLVAPX-HNNXBMFYSA-N 1 2 270.336 1.994 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@@H]1CCCc2scnc21 ZINC000623946177 351340686 /nfs/dbraw/zinc/34/06/86/351340686.db2.gz PPZXPOXEJWCNPY-SECBINFHSA-N 1 2 251.355 1.412 20 30 CDEDLO C[C@@H](c1nncn1C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292261970 198221502 /nfs/dbraw/zinc/22/15/02/198221502.db2.gz RNSOFZMVMSQTPL-AAEUAGOBSA-N 1 2 298.350 1.296 20 30 CDEDLO C[C@@H](c1nncn1C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292261970 198221504 /nfs/dbraw/zinc/22/15/04/198221504.db2.gz RNSOFZMVMSQTPL-AAEUAGOBSA-N 1 2 298.350 1.296 20 30 CDEDLO C=CCCC[N@H+]1CC[S@](=O)C[C@H]1c1cnn(CC)c1 ZINC000488222199 366096608 /nfs/dbraw/zinc/09/66/08/366096608.db2.gz XOQNAXNIVIWCQR-LIRRHRJNSA-N 1 2 281.425 1.975 20 30 CDEDLO C=CCCC[N@@H+]1CC[S@](=O)C[C@H]1c1cnn(CC)c1 ZINC000488222199 366096619 /nfs/dbraw/zinc/09/66/19/366096619.db2.gz XOQNAXNIVIWCQR-LIRRHRJNSA-N 1 2 281.425 1.975 20 30 CDEDLO N#CC1CC[NH+]([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000352269984 283050729 /nfs/dbraw/zinc/05/07/29/283050729.db2.gz AXRKWYPVGOGVTM-HNNXBMFYSA-N 1 2 297.358 1.550 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1F ZINC000065605023 363394646 /nfs/dbraw/zinc/39/46/46/363394646.db2.gz GQTLOHBDPNTEQE-NSHDSACASA-N 1 2 250.317 1.948 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1F ZINC000065605023 363394650 /nfs/dbraw/zinc/39/46/50/363394650.db2.gz GQTLOHBDPNTEQE-NSHDSACASA-N 1 2 250.317 1.948 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000336396590 356164975 /nfs/dbraw/zinc/16/49/75/356164975.db2.gz FRHVPWGXFOSEEU-ZDUSSCGKSA-N 1 2 286.379 1.918 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC000328925641 538443278 /nfs/dbraw/zinc/44/32/78/538443278.db2.gz OIYBFHNYABGEJZ-LLVKDONJSA-N 1 2 283.372 1.420 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC000328925641 538443279 /nfs/dbraw/zinc/44/32/79/538443279.db2.gz OIYBFHNYABGEJZ-LLVKDONJSA-N 1 2 283.372 1.420 20 30 CDEDLO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCc3cn[nH]c32)[N@H+](C)C1 ZINC000329001066 538448005 /nfs/dbraw/zinc/44/80/05/538448005.db2.gz XMEOVSQENDEJTP-TUAOUCFPSA-N 1 2 278.356 1.463 20 30 CDEDLO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCc3cn[nH]c32)[N@@H+](C)C1 ZINC000329001066 538448007 /nfs/dbraw/zinc/44/80/07/538448007.db2.gz XMEOVSQENDEJTP-TUAOUCFPSA-N 1 2 278.356 1.463 20 30 CDEDLO CCn1nncc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000328991900 538445144 /nfs/dbraw/zinc/44/51/44/538445144.db2.gz SPFOOAHXBHSDEX-LLVKDONJSA-N 1 2 286.339 1.277 20 30 CDEDLO CO[C@@]1(CNC(=O)CCc2c[nH+]c[nH]2)CCOC1 ZINC000329527642 538579537 /nfs/dbraw/zinc/57/95/37/538579537.db2.gz UIAUIBUBIAKXII-GFCCVEGCSA-N 1 2 253.302 1.104 20 30 CDEDLO CO[C@@]1(CNC(=O)CCc2c[nH]c[nH+]2)CCOC1 ZINC000329527642 538579553 /nfs/dbraw/zinc/57/95/53/538579553.db2.gz UIAUIBUBIAKXII-GFCCVEGCSA-N 1 2 253.302 1.104 20 30 CDEDLO Cc1noc(C[N@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344136940 356911625 /nfs/dbraw/zinc/91/16/25/356911625.db2.gz JHRWXHFFAAKGRQ-UHFFFAOYSA-N 1 2 286.335 1.898 20 30 CDEDLO Cc1noc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344136940 356911630 /nfs/dbraw/zinc/91/16/30/356911630.db2.gz JHRWXHFFAAKGRQ-UHFFFAOYSA-N 1 2 286.335 1.898 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000299280173 357007656 /nfs/dbraw/zinc/00/76/56/357007656.db2.gz MYSNFTJSFOQNFB-OAHLLOKOSA-N 1 2 268.360 1.602 20 30 CDEDLO COCCOCCO[NH+]=C(N)c1cccc(Cl)c1 ZINC000179638486 357216883 /nfs/dbraw/zinc/21/68/83/357216883.db2.gz UDWGKSLMPMPEOP-UHFFFAOYSA-N 1 2 272.732 1.640 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1N(c2cncc(C#N)n2)CC1(C)C ZINC000566161390 357426936 /nfs/dbraw/zinc/42/69/36/357426936.db2.gz YUFMRORROMSYKK-GFCCVEGCSA-N 1 2 268.324 1.669 20 30 CDEDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC000334555636 357603061 /nfs/dbraw/zinc/60/30/61/357603061.db2.gz PNYLVXZTAUZDHY-QGHHPUGFSA-N 1 2 268.407 1.963 20 30 CDEDLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000334555636 357603064 /nfs/dbraw/zinc/60/30/64/357603064.db2.gz PNYLVXZTAUZDHY-QGHHPUGFSA-N 1 2 268.407 1.963 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC(C#N)CC1 ZINC000408063968 357808337 /nfs/dbraw/zinc/80/83/37/357808337.db2.gz YCTIIGDNDMYUAA-LLVKDONJSA-N 1 2 261.329 1.217 20 30 CDEDLO Cc1cc(C#N)c(=O)n(Cc2[nH+]ccn2C(F)F)c1 ZINC000335463885 357916111 /nfs/dbraw/zinc/91/61/11/357916111.db2.gz VFJSVFSZVQBRMH-UHFFFAOYSA-N 1 2 264.235 1.668 20 30 CDEDLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000337430590 358038826 /nfs/dbraw/zinc/03/88/26/358038826.db2.gz YSUGGWNKCWBMBH-GFCCVEGCSA-N 1 2 282.340 1.316 20 30 CDEDLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000337430590 358038827 /nfs/dbraw/zinc/03/88/27/358038827.db2.gz YSUGGWNKCWBMBH-GFCCVEGCSA-N 1 2 282.340 1.316 20 30 CDEDLO C#CCSCC[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000294604569 199103658 /nfs/dbraw/zinc/10/36/58/199103658.db2.gz DJLMCTQBYBIKCF-LBPRGKRZSA-N 1 2 273.365 1.245 20 30 CDEDLO Cn1cnnc1C[N@H+](C)CCOc1cccc(C#N)c1 ZINC000264701806 358148702 /nfs/dbraw/zinc/14/87/02/358148702.db2.gz IFCGYBHRLUIJRR-UHFFFAOYSA-N 1 2 271.324 1.198 20 30 CDEDLO Cn1cnnc1C[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000264701806 358148707 /nfs/dbraw/zinc/14/87/07/358148707.db2.gz IFCGYBHRLUIJRR-UHFFFAOYSA-N 1 2 271.324 1.198 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@H](C)C[C@H](O)C2)c(C#N)c1C ZINC000401647007 358433849 /nfs/dbraw/zinc/43/38/49/358433849.db2.gz ILGYCGWGMIPXEX-SKDRFNHKSA-N 1 2 291.351 1.409 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2C[C@H](C)C[C@H](O)C2)c(C#N)c1C ZINC000401647007 358433851 /nfs/dbraw/zinc/43/38/51/358433851.db2.gz ILGYCGWGMIPXEX-SKDRFNHKSA-N 1 2 291.351 1.409 20 30 CDEDLO CN1CC[N@H+](C)[C@H](CNc2nc(Cl)c(C#N)s2)C1 ZINC000287498604 358665615 /nfs/dbraw/zinc/66/56/15/358665615.db2.gz UMURIBZBZAFOMK-MRVPVSSYSA-N 1 2 285.804 1.326 20 30 CDEDLO CN1CC[N@@H+](C)[C@H](CNc2nc(Cl)c(C#N)s2)C1 ZINC000287498604 358665617 /nfs/dbraw/zinc/66/56/17/358665617.db2.gz UMURIBZBZAFOMK-MRVPVSSYSA-N 1 2 285.804 1.326 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000494886199 366513510 /nfs/dbraw/zinc/51/35/10/366513510.db2.gz NDRSWKTWCLRICA-RBSFLKMASA-N 1 2 295.427 1.846 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000079883293 359339158 /nfs/dbraw/zinc/33/91/58/359339158.db2.gz MBNMHSAUJIVRQD-KGLIPLIRSA-N 1 2 288.395 1.873 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCn2cccc2[C@@H]1C ZINC000079883293 359339162 /nfs/dbraw/zinc/33/91/62/359339162.db2.gz MBNMHSAUJIVRQD-KGLIPLIRSA-N 1 2 288.395 1.873 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(F)ccc2O)CC1 ZINC000267513314 359353218 /nfs/dbraw/zinc/35/32/18/359353218.db2.gz MQMPLXIINLKZTO-UHFFFAOYSA-N 1 2 276.311 1.312 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000270999312 359418655 /nfs/dbraw/zinc/41/86/55/359418655.db2.gz FPNYFOJVKATOCM-ZDUSSCGKSA-N 1 2 291.351 1.378 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000270999312 359418660 /nfs/dbraw/zinc/41/86/60/359418660.db2.gz FPNYFOJVKATOCM-ZDUSSCGKSA-N 1 2 291.351 1.378 20 30 CDEDLO C#CC[N@@H+](CC(=O)N[C@H](C)c1ccccc1OC)C1CC1 ZINC000274113048 359492642 /nfs/dbraw/zinc/49/26/42/359492642.db2.gz FUAPXFPBGVGPFK-CYBMUJFWSA-N 1 2 286.375 1.970 20 30 CDEDLO C#CC[N@H+](CC(=O)N[C@H](C)c1ccccc1OC)C1CC1 ZINC000274113048 359492647 /nfs/dbraw/zinc/49/26/47/359492647.db2.gz FUAPXFPBGVGPFK-CYBMUJFWSA-N 1 2 286.375 1.970 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1C(=O)OCC ZINC000050064737 359566555 /nfs/dbraw/zinc/56/65/55/359566555.db2.gz UZFMNKNUSVKNHB-ZDUSSCGKSA-N 1 2 282.384 1.439 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]1C(=O)OCC ZINC000050064737 359566563 /nfs/dbraw/zinc/56/65/63/359566563.db2.gz UZFMNKNUSVKNHB-ZDUSSCGKSA-N 1 2 282.384 1.439 20 30 CDEDLO N#Cc1ccc(CNc2ccc(N3CCOCC3)[nH+]c2)o1 ZINC000158126720 237122979 /nfs/dbraw/zinc/12/29/79/237122979.db2.gz AHAARVWEZCUHRT-UHFFFAOYSA-N 1 2 284.319 1.995 20 30 CDEDLO CCN1CCC[N@H+](Cc2cc(C#N)cs2)CC1=O ZINC000191539540 359635694 /nfs/dbraw/zinc/63/56/94/359635694.db2.gz YWNRZMRZNNQGDW-UHFFFAOYSA-N 1 2 263.366 1.674 20 30 CDEDLO CCN1CCC[N@@H+](Cc2cc(C#N)cs2)CC1=O ZINC000191539540 359635696 /nfs/dbraw/zinc/63/56/96/359635696.db2.gz YWNRZMRZNNQGDW-UHFFFAOYSA-N 1 2 263.366 1.674 20 30 CDEDLO CCN(CC)c1ccc(CNc2ccc(C#N)c(N)n2)c[nH+]1 ZINC000571894751 359669135 /nfs/dbraw/zinc/66/91/35/359669135.db2.gz MMXDKAOBSIGGCR-UHFFFAOYSA-N 1 2 296.378 1.811 20 30 CDEDLO CC#CCN(C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000297313154 200144422 /nfs/dbraw/zinc/14/44/22/200144422.db2.gz FOBIBXXMOXITLS-UHFFFAOYSA-N 1 2 260.341 1.312 20 30 CDEDLO N#Cc1ccc(C(=O)NCC2CC[NH+](CC(F)F)CC2)[nH]1 ZINC000572177742 359963794 /nfs/dbraw/zinc/96/37/94/359963794.db2.gz ATRXBKMTAMDXGS-UHFFFAOYSA-N 1 2 296.321 1.593 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CC(=O)N(CC)CC ZINC000337391796 360096554 /nfs/dbraw/zinc/09/65/54/360096554.db2.gz ZZGZRLPBEDMONP-CQSZACIVSA-N 1 2 297.443 1.600 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CC(=O)N(CC)CC ZINC000337391796 360096557 /nfs/dbraw/zinc/09/65/57/360096557.db2.gz ZZGZRLPBEDMONP-CQSZACIVSA-N 1 2 297.443 1.600 20 30 CDEDLO N#CC1(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000537222979 360318745 /nfs/dbraw/zinc/31/87/45/360318745.db2.gz DRTNCVVBVBTZQS-UHFFFAOYSA-N 1 2 280.331 1.646 20 30 CDEDLO C=CC1CCN(C(=O)C(=O)Nc2c[nH+]ccc2OC)CC1 ZINC000111912593 360477921 /nfs/dbraw/zinc/47/79/21/360477921.db2.gz GGMZVDRRMDUGGN-UHFFFAOYSA-N 1 2 289.335 1.453 20 30 CDEDLO C=CCCCC(=O)N1CCC[N@@H+](CC(=O)NC(C)C)CC1 ZINC000365848486 360486334 /nfs/dbraw/zinc/48/63/34/360486334.db2.gz ZZDUUIWFEKLYQV-UHFFFAOYSA-N 1 2 295.427 1.402 20 30 CDEDLO C=CCCCC(=O)N1CCC[N@H+](CC(=O)NC(C)C)CC1 ZINC000365848486 360486339 /nfs/dbraw/zinc/48/63/39/360486339.db2.gz ZZDUUIWFEKLYQV-UHFFFAOYSA-N 1 2 295.427 1.402 20 30 CDEDLO C#CCSCCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177960758 189081893 /nfs/dbraw/zinc/08/18/93/189081893.db2.gz FPISBLWCJFKNIC-UHFFFAOYSA-N 1 2 288.376 1.500 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000565033873 360581376 /nfs/dbraw/zinc/58/13/76/360581376.db2.gz GYLKILNSMBVWPG-IPYPFGDCSA-N 1 2 289.379 1.543 20 30 CDEDLO CC#CC[NH+]1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000157418328 360869191 /nfs/dbraw/zinc/86/91/91/360869191.db2.gz LYYKMNOUBPWYDF-UHFFFAOYSA-N 1 2 299.418 1.883 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C[C@H](C)O1 ZINC000247740888 361175075 /nfs/dbraw/zinc/17/50/75/361175075.db2.gz 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ZINC000267677359 361284636 /nfs/dbraw/zinc/28/46/36/361284636.db2.gz PTGANNJVTXABQP-OAHLLOKOSA-N 1 2 292.310 1.524 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000267677359 361284646 /nfs/dbraw/zinc/28/46/46/361284646.db2.gz PTGANNJVTXABQP-OAHLLOKOSA-N 1 2 292.310 1.524 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000329346583 361485858 /nfs/dbraw/zinc/48/58/58/361485858.db2.gz CFYRCMCVXUTLLW-GFCCVEGCSA-N 1 2 292.383 1.868 20 30 CDEDLO N#CCC[N@@H+](CC[C@H]1CCNC1=O)Cc1ccco1 ZINC000562478616 361500246 /nfs/dbraw/zinc/50/02/46/361500246.db2.gz KZVVRVJNZNBOKO-GFCCVEGCSA-N 1 2 261.325 1.521 20 30 CDEDLO N#CCC[N@H+](CC[C@H]1CCNC1=O)Cc1ccco1 ZINC000562478616 361500250 /nfs/dbraw/zinc/50/02/50/361500250.db2.gz KZVVRVJNZNBOKO-GFCCVEGCSA-N 1 2 261.325 1.521 20 30 CDEDLO C=CCn1c(=O)[nH]nc1SCc1ccc(N(C)C)[nH+]c1 ZINC000629160674 361654416 /nfs/dbraw/zinc/65/44/16/361654416.db2.gz CNEUIBBYLOTLIB-UHFFFAOYSA-N 1 2 291.380 1.923 20 30 CDEDLO CC[N@H+](Cc1cnn(C)c1)Cc1cnc2c(C#N)cnn2c1 ZINC000580952316 363956731 /nfs/dbraw/zinc/95/67/31/363956731.db2.gz XEYMTJNRJRWHTD-UHFFFAOYSA-N 1 2 295.350 1.357 20 30 CDEDLO CC[N@@H+](Cc1cnn(C)c1)Cc1cnc2c(C#N)cnn2c1 ZINC000580952316 363956733 /nfs/dbraw/zinc/95/67/33/363956733.db2.gz XEYMTJNRJRWHTD-UHFFFAOYSA-N 1 2 295.350 1.357 20 30 CDEDLO Cc1cc(C[NH+]2CC(O)(CC#N)C2)ccc1-n1cncn1 ZINC000190037784 363973019 /nfs/dbraw/zinc/97/30/19/363973019.db2.gz ALTNFRUWOGAEKQ-UHFFFAOYSA-N 1 2 283.335 1.036 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC000572660007 364053254 /nfs/dbraw/zinc/05/32/54/364053254.db2.gz XGHKDSMEXDJPQN-VIFPVBQESA-N 1 2 256.327 1.465 20 30 CDEDLO Cn1cc(C[NH2+]Cc2n[nH]cc2Br)cc1C#N ZINC000582335648 364086168 /nfs/dbraw/zinc/08/61/68/364086168.db2.gz SVJSLJSQGNCMHD-UHFFFAOYSA-N 1 2 294.156 1.672 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)cc1 ZINC000367599441 364556380 /nfs/dbraw/zinc/55/63/80/364556380.db2.gz HKBWQIUXXWPDDP-HOTGVXAUSA-N 1 2 272.348 1.938 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)cc1 ZINC000367599441 364556381 /nfs/dbraw/zinc/55/63/81/364556381.db2.gz HKBWQIUXXWPDDP-HOTGVXAUSA-N 1 2 272.348 1.938 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000566743961 370804898 /nfs/dbraw/zinc/80/48/98/370804898.db2.gz UWJWDXJJRMJMOP-SNVBAGLBSA-N 1 2 251.330 1.742 20 30 CDEDLO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ncn(C)n1 ZINC000275467352 193049485 /nfs/dbraw/zinc/04/94/85/193049485.db2.gz CLWHZOWYOYZJRE-NSHDSACASA-N 1 2 271.324 1.416 20 30 CDEDLO N#CCCCCNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000171593409 365326058 /nfs/dbraw/zinc/32/60/58/365326058.db2.gz CQCQQPOWJKSHLU-UHFFFAOYSA-N 1 2 269.308 1.691 20 30 CDEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000564728547 365517042 /nfs/dbraw/zinc/51/70/42/365517042.db2.gz CMBACVDIURNCMX-SMDDNHRTSA-N 1 2 285.351 1.600 20 30 CDEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000564728547 365517048 /nfs/dbraw/zinc/51/70/48/365517048.db2.gz CMBACVDIURNCMX-SMDDNHRTSA-N 1 2 285.351 1.600 20 30 CDEDLO C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)Cn1cc[nH+]c1 ZINC000272026354 367056740 /nfs/dbraw/zinc/05/67/40/367056740.db2.gz SSKYMBBSESUAGQ-JTQLQIEISA-N 1 2 257.297 1.149 20 30 CDEDLO CC[N@H+](Cc1cc(C#N)ccc1OC)[C@H]1CCNC1=O ZINC000440952920 367181254 /nfs/dbraw/zinc/18/12/54/367181254.db2.gz DYBMERCBYZBXGA-ZDUSSCGKSA-N 1 2 273.336 1.277 20 30 CDEDLO CC[N@@H+](Cc1cc(C#N)ccc1OC)[C@H]1CCNC1=O ZINC000440952920 367181260 /nfs/dbraw/zinc/18/12/60/367181260.db2.gz DYBMERCBYZBXGA-ZDUSSCGKSA-N 1 2 273.336 1.277 20 30 CDEDLO C[C@@H]1CCC[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000566976266 370852193 /nfs/dbraw/zinc/85/21/93/370852193.db2.gz KQMSNGIUWZIILZ-MBNYWOFBSA-N 1 2 251.374 1.773 20 30 CDEDLO C[C@H](C#N)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000357826606 367236251 /nfs/dbraw/zinc/23/62/51/367236251.db2.gz MPYRAXNYZJJXPA-GFCCVEGCSA-N 1 2 273.336 1.617 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000275926514 193165026 /nfs/dbraw/zinc/16/50/26/193165026.db2.gz BNBDOXXGYREYHX-SMDDNHRTSA-N 1 2 279.340 1.212 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000275926514 193165028 /nfs/dbraw/zinc/16/50/28/193165028.db2.gz BNBDOXXGYREYHX-SMDDNHRTSA-N 1 2 279.340 1.212 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Nc2nc(C)cs2)CC1 ZINC000126689463 368311037 /nfs/dbraw/zinc/31/10/37/368311037.db2.gz HQAPQWSLLWFXSD-UHFFFAOYSA-N 1 2 264.354 1.234 20 30 CDEDLO C=C(C)[C@H]([NH2+]Cc1nnnn1C)c1ccc(F)c(F)c1 ZINC000360613431 368391710 /nfs/dbraw/zinc/39/17/10/368391710.db2.gz OSBUCYHCCZIUCS-ZDUSSCGKSA-N 1 2 279.294 1.895 20 30 CDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CCCC#N ZINC000360613799 368391899 /nfs/dbraw/zinc/39/18/99/368391899.db2.gz VLAPDJOYGMBKPD-CHWSQXEVSA-N 1 2 265.357 1.002 20 30 CDEDLO Cc1cc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)ccc1C#N ZINC000488231718 368810012 /nfs/dbraw/zinc/81/00/12/368810012.db2.gz NXZYWXAPHMECMA-DOMZBBRYSA-N 1 2 260.337 1.448 20 30 CDEDLO Cc1cc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)ccc1C#N ZINC000488231718 368810017 /nfs/dbraw/zinc/81/00/17/368810017.db2.gz NXZYWXAPHMECMA-DOMZBBRYSA-N 1 2 260.337 1.448 20 30 CDEDLO C=CC[C@@H](C)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000116933145 369549119 /nfs/dbraw/zinc/54/91/19/369549119.db2.gz SGMMHTRTVSYWBI-GFCCVEGCSA-N 1 2 269.389 1.361 20 30 CDEDLO N#CCC(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000373507392 370587082 /nfs/dbraw/zinc/58/70/82/370587082.db2.gz BHFSCOKNXNPMIY-UHFFFAOYSA-N 1 2 298.268 1.663 20 30 CDEDLO COCCc1noc(C[N@H+](C)[C@H](C)CCC#N)n1 ZINC000567989574 371193144 /nfs/dbraw/zinc/19/31/44/371193144.db2.gz KGCDDHHWGZAMRY-SNVBAGLBSA-N 1 2 252.318 1.383 20 30 CDEDLO COCCc1noc(C[N@@H+](C)[C@H](C)CCC#N)n1 ZINC000567989574 371193147 /nfs/dbraw/zinc/19/31/47/371193147.db2.gz KGCDDHHWGZAMRY-SNVBAGLBSA-N 1 2 252.318 1.383 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCc2cccc(F)c2C1 ZINC000157934710 371201198 /nfs/dbraw/zinc/20/11/98/371201198.db2.gz NUJOGIPZTGTFAS-UHFFFAOYSA-N 1 2 291.326 1.196 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCc2cccc(F)c2C1 ZINC000157934710 371201202 /nfs/dbraw/zinc/20/12/02/371201202.db2.gz NUJOGIPZTGTFAS-UHFFFAOYSA-N 1 2 291.326 1.196 20 30 CDEDLO CC(C)[C@H](NS(=O)(=O)c1ccc(C#N)o1)c1[nH]cc[nH+]1 ZINC000295930951 371520585 /nfs/dbraw/zinc/52/05/85/371520585.db2.gz IJAKIIHYMJYSJM-NSHDSACASA-N 1 2 294.336 1.550 20 30 CDEDLO Cc1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)cnn1C(C)(C)C ZINC000573376289 371521176 /nfs/dbraw/zinc/52/11/76/371521176.db2.gz NFCJTZGIHZOVJK-OAHLLOKOSA-N 1 2 291.399 1.520 20 30 CDEDLO C=CCC(C)(C)c1noc([C@@H]2C[N@H+](C)CCO2)n1 ZINC000351275454 372382178 /nfs/dbraw/zinc/38/21/78/372382178.db2.gz OVUWVABFKOTXID-JTQLQIEISA-N 1 2 251.330 1.926 20 30 CDEDLO C=CCC(C)(C)c1noc([C@@H]2C[N@@H+](C)CCO2)n1 ZINC000351275454 372382184 /nfs/dbraw/zinc/38/21/84/372382184.db2.gz OVUWVABFKOTXID-JTQLQIEISA-N 1 2 251.330 1.926 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N(C)Cc1ccccc1F ZINC000174529393 372593934 /nfs/dbraw/zinc/59/39/34/372593934.db2.gz RJGJONZZOKXOCU-UHFFFAOYSA-N 1 2 272.323 1.353 20 30 CDEDLO N#CCC1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000579560679 372595367 /nfs/dbraw/zinc/59/53/67/372595367.db2.gz GUEFTCASIIRPBK-UHFFFAOYSA-N 1 2 287.367 1.443 20 30 CDEDLO N#CCC1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000579560679 372595373 /nfs/dbraw/zinc/59/53/73/372595373.db2.gz GUEFTCASIIRPBK-UHFFFAOYSA-N 1 2 287.367 1.443 20 30 CDEDLO CCOC(=O)[C@H]([NH2+]Cc1cc(C#N)n(C)c1)[C@H](C)CC ZINC000191543926 373518396 /nfs/dbraw/zinc/51/83/96/373518396.db2.gz VSNNOAAAILVRAV-BXUZGUMPSA-N 1 2 277.368 1.964 20 30 CDEDLO COCC[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H](C)C(N)=O ZINC000192012021 373570816 /nfs/dbraw/zinc/57/08/16/373570816.db2.gz KGLVFRQRNHIVMD-JTQLQIEISA-N 1 2 279.315 1.020 20 30 CDEDLO COCC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H](C)C(N)=O ZINC000192012021 373570823 /nfs/dbraw/zinc/57/08/23/373570823.db2.gz KGLVFRQRNHIVMD-JTQLQIEISA-N 1 2 279.315 1.020 20 30 CDEDLO N#Cc1cc(F)ccc1CN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000358461238 373959300 /nfs/dbraw/zinc/95/93/00/373959300.db2.gz XAJAUHHDHKTDAT-UHFFFAOYSA-N 1 2 299.353 1.738 20 30 CDEDLO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nncn1C ZINC000361751324 374048551 /nfs/dbraw/zinc/04/85/51/374048551.db2.gz QMVIJTGKYOCSEZ-VIFPVBQESA-N 1 2 259.288 1.677 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000522294253 374254428 /nfs/dbraw/zinc/25/44/28/374254428.db2.gz KZKYCJAGPYFSLN-LBPRGKRZSA-N 1 2 288.351 1.400 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000522294253 374254434 /nfs/dbraw/zinc/25/44/34/374254434.db2.gz KZKYCJAGPYFSLN-LBPRGKRZSA-N 1 2 288.351 1.400 20 30 CDEDLO Cn1c(Cn2cncc(C#N)c2=O)[nH+]c2ccccc21 ZINC000351770815 374265082 /nfs/dbraw/zinc/26/50/82/374265082.db2.gz NICBNGYMSKZRES-UHFFFAOYSA-N 1 2 265.276 1.050 20 30 CDEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(C3(C#N)CCC3)n2)C1 ZINC000349846353 374308666 /nfs/dbraw/zinc/30/86/66/374308666.db2.gz FVQOUFVSOMSELA-NSHDSACASA-N 1 2 276.340 1.797 20 30 CDEDLO CC(C)[N@H+]1CCO[C@H](c2noc(C3(C#N)CCC3)n2)C1 ZINC000349846353 374308674 /nfs/dbraw/zinc/30/86/74/374308674.db2.gz FVQOUFVSOMSELA-NSHDSACASA-N 1 2 276.340 1.797 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](O)CC1 ZINC000293350636 374356463 /nfs/dbraw/zinc/35/64/63/374356463.db2.gz ZHXNRTULAYPWSJ-CABCVRRESA-N 1 2 288.347 1.619 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](O)CC1 ZINC000293350636 374356467 /nfs/dbraw/zinc/35/64/67/374356467.db2.gz ZHXNRTULAYPWSJ-CABCVRRESA-N 1 2 288.347 1.619 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Nc1cccc(F)c1C#N ZINC000079914819 374428860 /nfs/dbraw/zinc/42/88/60/374428860.db2.gz LPGJLAWTFALHRJ-LLVKDONJSA-N 1 2 263.316 1.830 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCOCC23CCC3)C1=O ZINC000334175563 374535956 /nfs/dbraw/zinc/53/59/56/374535956.db2.gz CKOGRVOXACFURC-LBPRGKRZSA-N 1 2 250.342 1.028 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCOCC23CCC3)C1=O ZINC000334175563 374535963 /nfs/dbraw/zinc/53/59/63/374535963.db2.gz CKOGRVOXACFURC-LBPRGKRZSA-N 1 2 250.342 1.028 20 30 CDEDLO CCOCC[NH+]1CCN(c2nccc(C#N)c2Cl)CC1 ZINC000429209404 374572716 /nfs/dbraw/zinc/57/27/16/374572716.db2.gz PCGILSMLZQKKRC-UHFFFAOYSA-N 1 2 294.786 1.765 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000277355864 374784258 /nfs/dbraw/zinc/78/42/58/374784258.db2.gz WXKVAHWQMIWQSV-YUNKPMOVSA-N 1 2 292.404 1.910 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000277355864 374784262 /nfs/dbraw/zinc/78/42/62/374784262.db2.gz WXKVAHWQMIWQSV-YUNKPMOVSA-N 1 2 292.404 1.910 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCCN(C=O)CC2)c(F)c1 ZINC000294254377 375257309 /nfs/dbraw/zinc/25/73/09/375257309.db2.gz QGTKUMBMMZNOCA-UHFFFAOYSA-N 1 2 261.300 1.361 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCCN(C=O)CC2)c(F)c1 ZINC000294254377 375257314 /nfs/dbraw/zinc/25/73/14/375257314.db2.gz QGTKUMBMMZNOCA-UHFFFAOYSA-N 1 2 261.300 1.361 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)c1 ZINC000493567884 375464759 /nfs/dbraw/zinc/46/47/59/375464759.db2.gz UUTIAFWCJBWGMG-ZDUSSCGKSA-N 1 2 257.293 1.195 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)c1 ZINC000493567884 375464765 /nfs/dbraw/zinc/46/47/65/375464765.db2.gz UUTIAFWCJBWGMG-ZDUSSCGKSA-N 1 2 257.293 1.195 20 30 CDEDLO C=C[C@H](CO)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425307721 375820543 /nfs/dbraw/zinc/82/05/43/375820543.db2.gz BLHRVHYPTSWNDA-ZIAGYGMSSA-N 1 2 285.347 1.595 20 30 CDEDLO CC[C@@H]1C[C@H]1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000328622093 375899561 /nfs/dbraw/zinc/89/95/61/375899561.db2.gz XYSUGXNHFCAAJY-VXGBXAGGSA-N 1 2 267.373 1.153 20 30 CDEDLO CO[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC000328777597 375953289 /nfs/dbraw/zinc/95/32/89/375953289.db2.gz LMHNFXQLMAHIDV-ZYHUDNBSSA-N 1 2 251.330 1.877 20 30 CDEDLO CC1CC(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000328778631 375967713 /nfs/dbraw/zinc/96/77/13/375967713.db2.gz DQHMWWRWDYGBIT-CXQJBGSLSA-N 1 2 262.357 1.922 20 30 CDEDLO CO[C@]1(CNC(=O)CCc2c[nH+]cn2C)CCOC1 ZINC000328873615 375995729 /nfs/dbraw/zinc/99/57/29/375995729.db2.gz YWWUGFVJIBJOJY-ZDUSSCGKSA-N 1 2 267.329 1.115 20 30 CDEDLO CC(C)c1nnc([C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)[nH]1 ZINC000328941013 376015934 /nfs/dbraw/zinc/01/59/34/376015934.db2.gz SPTHMYORMTUOJG-UWVGGRQHSA-N 1 2 281.360 1.276 20 30 CDEDLO CC(C)c1nnc([C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)[nH]1 ZINC000328941013 376015939 /nfs/dbraw/zinc/01/59/39/376015939.db2.gz SPTHMYORMTUOJG-UWVGGRQHSA-N 1 2 281.360 1.276 20 30 CDEDLO CC(C)c1nc([C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)n[nH]1 ZINC000328941013 376015944 /nfs/dbraw/zinc/01/59/44/376015944.db2.gz SPTHMYORMTUOJG-UWVGGRQHSA-N 1 2 281.360 1.276 20 30 CDEDLO CC(C)c1nc([C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)n[nH]1 ZINC000328941013 376015948 /nfs/dbraw/zinc/01/59/48/376015948.db2.gz SPTHMYORMTUOJG-UWVGGRQHSA-N 1 2 281.360 1.276 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCc1cccc(C)c1 ZINC000076185849 377465696 /nfs/dbraw/zinc/46/56/96/377465696.db2.gz JSUDSQGOPDLHMG-UHFFFAOYSA-N 1 2 254.333 1.180 20 30 CDEDLO C=CC[N@H+](CCc1ccccc1)Cc1n[nH]c(=O)[nH]1 ZINC000092618178 377992982 /nfs/dbraw/zinc/99/29/82/377992982.db2.gz GAUCQKAETLOKNW-UHFFFAOYSA-N 1 2 258.325 1.329 20 30 CDEDLO C=CC[N@@H+](CCc1ccccc1)Cc1n[nH]c(=O)[nH]1 ZINC000092618178 377992987 /nfs/dbraw/zinc/99/29/87/377992987.db2.gz GAUCQKAETLOKNW-UHFFFAOYSA-N 1 2 258.325 1.329 20 30 CDEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1nc(N)nc(N)n1 ZINC000173261540 378086685 /nfs/dbraw/zinc/08/66/85/378086685.db2.gz ZGUPKPCJHPOJSQ-UHFFFAOYSA-N 1 2 297.366 1.318 20 30 CDEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1nc(N)nc(N)n1 ZINC000173261540 378086694 /nfs/dbraw/zinc/08/66/94/378086694.db2.gz ZGUPKPCJHPOJSQ-UHFFFAOYSA-N 1 2 297.366 1.318 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2CC(=C)C)CC1 ZINC000283170700 378090655 /nfs/dbraw/zinc/09/06/55/378090655.db2.gz FSSZOAVYLODPIX-UHFFFAOYSA-N 1 2 299.422 1.562 20 30 CDEDLO C#Cc1ccccc1CC(=O)N(C)Cc1[nH+]ccn1C ZINC000290206884 378367298 /nfs/dbraw/zinc/36/72/98/378367298.db2.gz UQCRKTLHTRYZGE-UHFFFAOYSA-N 1 2 267.332 1.603 20 30 CDEDLO C#CCO[C@H](C)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000295701908 378693460 /nfs/dbraw/zinc/69/34/60/378693460.db2.gz CCYVKGGABFWKQC-CYBMUJFWSA-N 1 2 297.358 1.801 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000343775040 378970586 /nfs/dbraw/zinc/97/05/86/378970586.db2.gz UDBGMHIAVLZGQV-CABCVRRESA-N 1 2 280.412 1.958 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000343775040 378970591 /nfs/dbraw/zinc/97/05/91/378970591.db2.gz UDBGMHIAVLZGQV-CABCVRRESA-N 1 2 280.412 1.958 20 30 CDEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000443723435 250050680 /nfs/dbraw/zinc/05/06/80/250050680.db2.gz XKOPOKDEAVVASX-UHFFFAOYSA-N 1 2 299.783 1.196 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)NCC#Cc1ccccc1 ZINC000278736640 194131021 /nfs/dbraw/zinc/13/10/21/194131021.db2.gz USPJHZPMVOSFSF-UHFFFAOYSA-N 1 2 267.332 1.521 20 30 CDEDLO C#CCC[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000287950218 196975666 /nfs/dbraw/zinc/97/56/66/196975666.db2.gz QIWGYGAFPIGQGS-UHFFFAOYSA-N 1 2 260.366 1.469 20 30 CDEDLO C=CCN(CC=C)C(=O)CSc1nc(N)cc(CC)[nH+]1 ZINC000279065223 194268760 /nfs/dbraw/zinc/26/87/60/194268760.db2.gz JCROWPLYEYXNBU-UHFFFAOYSA-N 1 2 292.408 1.914 20 30 CDEDLO C=CCN1CC[C@@H](Sc2nc(N)cc(C)[nH+]2)C1=O ZINC000281002892 195063986 /nfs/dbraw/zinc/06/39/86/195063986.db2.gz NUPQWGIJBDJJOY-SECBINFHSA-N 1 2 264.354 1.246 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccnn1Cc1cccs1 ZINC000192232766 533098905 /nfs/dbraw/zinc/09/89/05/533098905.db2.gz VYJBOYXVVRKGPB-UHFFFAOYSA-N 1 2 288.376 1.496 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccnn1Cc1cccs1 ZINC000192232766 533098909 /nfs/dbraw/zinc/09/89/09/533098909.db2.gz VYJBOYXVVRKGPB-UHFFFAOYSA-N 1 2 288.376 1.496 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(C(N)=O)cs2)C1=O ZINC000281171432 195135008 /nfs/dbraw/zinc/13/50/08/195135008.db2.gz GWUSQWLVIHCLCA-GFCCVEGCSA-N 1 2 293.392 1.066 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(C(N)=O)cs2)C1=O ZINC000281171432 195135010 /nfs/dbraw/zinc/13/50/10/195135010.db2.gz GWUSQWLVIHCLCA-GFCCVEGCSA-N 1 2 293.392 1.066 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(C(C)C)C(C)C)C1=O ZINC000281469216 195253601 /nfs/dbraw/zinc/25/36/01/195253601.db2.gz VTQXYEZUAMLYRD-AWEZNQCLSA-N 1 2 295.427 1.351 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(C(C)C)C(C)C)C1=O ZINC000281469216 195253603 /nfs/dbraw/zinc/25/36/03/195253603.db2.gz VTQXYEZUAMLYRD-AWEZNQCLSA-N 1 2 295.427 1.351 20 30 CDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000285182690 285327920 /nfs/dbraw/zinc/32/79/20/285327920.db2.gz BWGPIUCRTFVQRD-LBPRGKRZSA-N 1 2 293.392 1.273 20 30 CDEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000285182690 285327925 /nfs/dbraw/zinc/32/79/25/285327925.db2.gz BWGPIUCRTFVQRD-LBPRGKRZSA-N 1 2 293.392 1.273 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@]1(C)C(=O)OC ZINC000186379380 262314308 /nfs/dbraw/zinc/31/43/08/262314308.db2.gz UTNAYOCKNPAXOI-WFASDCNBSA-N 1 2 295.383 1.022 20 30 CDEDLO C[C@H]1C(=O)N(C)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000186986756 390166288 /nfs/dbraw/zinc/16/62/88/390166288.db2.gz IRDXXBYXKOXRJP-LBPRGKRZSA-N 1 2 273.336 1.100 20 30 CDEDLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000186986756 390166291 /nfs/dbraw/zinc/16/62/91/390166291.db2.gz IRDXXBYXKOXRJP-LBPRGKRZSA-N 1 2 273.336 1.100 20 30 CDEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)CSCC#N)C2 ZINC000112665067 390794212 /nfs/dbraw/zinc/79/42/12/390794212.db2.gz LNBYRGLIBZRJFD-UHFFFAOYSA-N 1 2 292.408 1.685 20 30 CDEDLO CO[C@H](C)c1nc(CO[NH+]=C(N)CCO)cs1 ZINC000136067886 390940917 /nfs/dbraw/zinc/94/09/17/390940917.db2.gz CJPHVSKKKSVHBT-SSDOTTSWSA-N 1 2 259.331 1.022 20 30 CDEDLO C[C@H](O[NH+]=C(N)CCO)C(=O)NCc1ccccc1Cl ZINC000136065429 390940930 /nfs/dbraw/zinc/94/09/30/390940930.db2.gz DKHRFPKKOGBKJG-VIFPVBQESA-N 1 2 299.758 1.016 20 30 CDEDLO Cc1ccc(NC(=O)C(=O)N[C@@H](C)CC#N)c(C)[nH+]1 ZINC000123091120 390908869 /nfs/dbraw/zinc/90/88/69/390908869.db2.gz PRIIHKVCHVJBDF-VIFPVBQESA-N 1 2 260.297 1.055 20 30 CDEDLO CN(C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCCC[C@H]1O ZINC000329602927 391027422 /nfs/dbraw/zinc/02/74/22/391027422.db2.gz GBDYBLHLHLJAMG-ZLKJLUDKSA-N 1 2 292.383 1.416 20 30 CDEDLO CN(C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCCC[C@H]1O ZINC000329602927 391027426 /nfs/dbraw/zinc/02/74/26/391027426.db2.gz GBDYBLHLHLJAMG-ZLKJLUDKSA-N 1 2 292.383 1.416 20 30 CDEDLO O=C(C[N@@H+]1CCOCC2(CC2)C1)NC[C@H]1CCCO1 ZINC000329487415 390996411 /nfs/dbraw/zinc/99/64/11/390996411.db2.gz XTDJIQZNFCYBBY-GFCCVEGCSA-N 1 2 268.357 1.234 20 30 CDEDLO O=C(C[N@H+]1CCOCC2(CC2)C1)NC[C@H]1CCCO1 ZINC000329487415 390996416 /nfs/dbraw/zinc/99/64/16/390996416.db2.gz XTDJIQZNFCYBBY-GFCCVEGCSA-N 1 2 268.357 1.234 20 30 CDEDLO N#CC1(NC(=O)COc2cccc(-n3cc[nH+]c3)c2)CCC1 ZINC000525877347 391034994 /nfs/dbraw/zinc/03/49/94/391034994.db2.gz OBNLUKNECPNNPA-UHFFFAOYSA-N 1 2 296.330 1.814 20 30 CDEDLO N#CC1(F)CC[NH+](Cc2nc(N)c3ccccc3n2)CC1 ZINC000352459411 391148598 /nfs/dbraw/zinc/14/85/98/391148598.db2.gz YEUVSMDNGWVOKX-UHFFFAOYSA-N 1 2 285.326 1.870 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(F)(C#N)CC1 ZINC000352448596 391141674 /nfs/dbraw/zinc/14/16/74/391141674.db2.gz IHYSNCHDLSETGP-NSHDSACASA-N 1 2 266.320 1.075 20 30 CDEDLO Cc1cn2cc(NC(=O)N3CCO[C@H](C#N)C3)ccc2[nH+]1 ZINC000265697301 391161424 /nfs/dbraw/zinc/16/14/24/391161424.db2.gz HEOGSPSUTPMKTM-GFCCVEGCSA-N 1 2 285.307 1.399 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000268572375 391219471 /nfs/dbraw/zinc/21/94/71/391219471.db2.gz RMCXZIHDDMDTRL-OLZOCXBDSA-N 1 2 287.363 1.999 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000268572375 391219473 /nfs/dbraw/zinc/21/94/73/391219473.db2.gz RMCXZIHDDMDTRL-OLZOCXBDSA-N 1 2 287.363 1.999 20 30 CDEDLO C=CCOCC[N@@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000339039259 391245094 /nfs/dbraw/zinc/24/50/94/391245094.db2.gz PZCSMURMSMJMMB-GFCCVEGCSA-N 1 2 266.366 1.424 20 30 CDEDLO C=CCOCC[N@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000339039259 391245097 /nfs/dbraw/zinc/24/50/97/391245097.db2.gz PZCSMURMSMJMMB-GFCCVEGCSA-N 1 2 266.366 1.424 20 30 CDEDLO COc1ccc(OC)c(/C=N/OCc2c[nH+]cn2C)c1 ZINC000267717261 391203366 /nfs/dbraw/zinc/20/33/66/391203366.db2.gz AKVCKRIWPSMUFG-FRKPEAEDSA-N 1 2 275.308 1.988 20 30 CDEDLO C=C(C)C[N@H+](CC(=O)NCC#N)Cc1cnn(C(C)C)c1 ZINC000352904534 391310446 /nfs/dbraw/zinc/31/04/46/391310446.db2.gz VGQVDTKEZOTHBF-UHFFFAOYSA-N 1 2 289.383 1.482 20 30 CDEDLO C=C(C)C[N@@H+](CC(=O)NCC#N)Cc1cnn(C(C)C)c1 ZINC000352904534 391310451 /nfs/dbraw/zinc/31/04/51/391310451.db2.gz VGQVDTKEZOTHBF-UHFFFAOYSA-N 1 2 289.383 1.482 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCc1ccc(Cl)s1 ZINC000339755356 391348295 /nfs/dbraw/zinc/34/82/95/391348295.db2.gz GIEQKHUZXZSURJ-UHFFFAOYSA-N 1 2 270.785 1.973 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCc1ccc(Cl)s1 ZINC000339755356 391348299 /nfs/dbraw/zinc/34/82/99/391348299.db2.gz GIEQKHUZXZSURJ-UHFFFAOYSA-N 1 2 270.785 1.973 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N[C@@H](C)Cc1ccccc1C ZINC000339754221 391348398 /nfs/dbraw/zinc/34/83/98/391348398.db2.gz NQKNJJDJZHUXPL-HNNXBMFYSA-N 1 2 272.392 1.997 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H](C)Cc1ccccc1C ZINC000339754221 391348399 /nfs/dbraw/zinc/34/83/99/391348399.db2.gz NQKNJJDJZHUXPL-HNNXBMFYSA-N 1 2 272.392 1.997 20 30 CDEDLO C=CCN1CC[C@H](N(C)Cc2c[nH+]cn2CC)C1=O ZINC000418050081 391368970 /nfs/dbraw/zinc/36/89/70/391368970.db2.gz VBPYRRNXNKJXGI-ZDUSSCGKSA-N 1 2 262.357 1.122 20 30 CDEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CCO1 ZINC000330431881 391422508 /nfs/dbraw/zinc/42/25/08/391422508.db2.gz JKHWXCSTWFCNPJ-UMVBOHGHSA-N 1 2 281.400 1.540 20 30 CDEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CCO1 ZINC000330431881 391422511 /nfs/dbraw/zinc/42/25/11/391422511.db2.gz JKHWXCSTWFCNPJ-UMVBOHGHSA-N 1 2 281.400 1.540 20 30 CDEDLO Cc1ccc(C)c(C(=O)N[C@H](CO)C[NH+]2CCOCC2)c1 ZINC000330444131 391433850 /nfs/dbraw/zinc/43/38/50/391433850.db2.gz GBVQIFBCQGDLAW-AWEZNQCLSA-N 1 2 292.379 1.301 20 30 CDEDLO CC[C@@H](CC#N)NC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411392435 391445141 /nfs/dbraw/zinc/44/51/41/391445141.db2.gz CUNAYCDRDDLADD-LBPRGKRZSA-N 1 2 288.351 1.754 20 30 CDEDLO COC(=O)[C@@H]1CC[N@H+](C[C@H](C#N)CCC#N)C[C@H]1C ZINC000355379287 391451950 /nfs/dbraw/zinc/45/19/50/391451950.db2.gz LEWARHSMYZYOQM-FRRDWIJNSA-N 1 2 263.341 1.561 20 30 CDEDLO COC(=O)[C@@H]1CC[N@@H+](C[C@H](C#N)CCC#N)C[C@H]1C ZINC000355379287 391451952 /nfs/dbraw/zinc/45/19/52/391451952.db2.gz LEWARHSMYZYOQM-FRRDWIJNSA-N 1 2 263.341 1.561 20 30 CDEDLO CC(C)c1nc([C@H]2CCC[N@H+](CC(=O)NCC#N)C2)no1 ZINC000330666040 391457780 /nfs/dbraw/zinc/45/77/80/391457780.db2.gz RTHRDSIZDFKLBP-NSHDSACASA-N 1 2 291.355 1.012 20 30 CDEDLO CC(C)c1nc([C@H]2CCC[N@@H+](CC(=O)NCC#N)C2)no1 ZINC000330666040 391457782 /nfs/dbraw/zinc/45/77/82/391457782.db2.gz RTHRDSIZDFKLBP-NSHDSACASA-N 1 2 291.355 1.012 20 30 CDEDLO CC(C)c1nn(C)cc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330623705 391461544 /nfs/dbraw/zinc/46/15/44/391461544.db2.gz QBBMSWOIFKYGCI-GFCCVEGCSA-N 1 2 294.399 1.569 20 30 CDEDLO CC(C)c1nn(C)cc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330623705 391461548 /nfs/dbraw/zinc/46/15/48/391461548.db2.gz QBBMSWOIFKYGCI-GFCCVEGCSA-N 1 2 294.399 1.569 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)NC[C@]1(C)CCCO1 ZINC000328824845 391550044 /nfs/dbraw/zinc/55/00/44/391550044.db2.gz IWRJGTAIVCHFBV-ZDUSSCGKSA-N 1 2 251.330 1.878 20 30 CDEDLO C=CC[N@@H+](C)CCN(CC)C[C@H](C)CS(C)(=O)=O ZINC000411643198 391500916 /nfs/dbraw/zinc/50/09/16/391500916.db2.gz OVBUHRXLILUVCP-ZDUSSCGKSA-N 1 2 276.446 1.107 20 30 CDEDLO C=CC[N@H+](C)CCN(CC)C[C@H](C)CS(C)(=O)=O ZINC000411643198 391500917 /nfs/dbraw/zinc/50/09/17/391500917.db2.gz OVBUHRXLILUVCP-ZDUSSCGKSA-N 1 2 276.446 1.107 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000412447852 391619284 /nfs/dbraw/zinc/61/92/84/391619284.db2.gz QYERXBNVGOFYIW-UHFFFAOYSA-N 1 2 284.400 1.004 20 30 CDEDLO N#CC1(C[NH2+][C@@]2(CO)CCOc3ccccc32)CC1 ZINC000362281492 391717239 /nfs/dbraw/zinc/71/72/39/391717239.db2.gz YILBUWQKHCKNQC-OAHLLOKOSA-N 1 2 258.321 1.550 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)C[C@](C)(O)C(F)(F)F)n1 ZINC000281235240 391660160 /nfs/dbraw/zinc/66/01/60/391660160.db2.gz FRRFXEVRCIKROM-LBPRGKRZSA-N 1 2 289.301 1.652 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)C[C@](C)(O)C(F)(F)F)n1 ZINC000281235240 391660163 /nfs/dbraw/zinc/66/01/63/391660163.db2.gz FRRFXEVRCIKROM-LBPRGKRZSA-N 1 2 289.301 1.652 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000093331788 391679401 /nfs/dbraw/zinc/67/94/01/391679401.db2.gz ZXSUYTHSUCYTFL-NSHDSACASA-N 1 2 281.153 1.541 20 30 CDEDLO C#CC[N@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000093331788 391679405 /nfs/dbraw/zinc/67/94/05/391679405.db2.gz ZXSUYTHSUCYTFL-NSHDSACASA-N 1 2 281.153 1.541 20 30 CDEDLO C=CCn1cc(C(=O)N[C@@H](C)c2[nH+]ccn2CC)nn1 ZINC000648410849 391741815 /nfs/dbraw/zinc/74/18/15/391741815.db2.gz KBWVNENPWXSEDD-JTQLQIEISA-N 1 2 274.328 1.172 20 30 CDEDLO CC[C@]1(C)C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000135705969 391735347 /nfs/dbraw/zinc/73/53/47/391735347.db2.gz PDYFFKQFAUOOJY-GXTWGEPZSA-N 1 2 267.373 1.248 20 30 CDEDLO CC[C@]1(C)C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000135705969 391735350 /nfs/dbraw/zinc/73/53/50/391735350.db2.gz PDYFFKQFAUOOJY-GXTWGEPZSA-N 1 2 267.373 1.248 20 30 CDEDLO C[C@@H]1OCC[C@]1(C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000329757103 391772033 /nfs/dbraw/zinc/77/20/33/391772033.db2.gz MRFOIQQPVHGUQW-MJVIPROJSA-N 1 2 263.341 1.970 20 30 CDEDLO O=C(NCC1([NH+]2CCOCC2)CC1)C1CCC(O)CC1 ZINC000329946303 391804617 /nfs/dbraw/zinc/80/46/17/391804617.db2.gz XTZLQERSAKEANZ-UHFFFAOYSA-N 1 2 282.384 1.359 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC(C)(C)O2)C1 ZINC000329878490 391793169 /nfs/dbraw/zinc/79/31/69/391793169.db2.gz KVRIQMGGMLODBE-MNOVXSKESA-N 1 2 256.346 1.231 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC(C)(C)O2)C1 ZINC000329878490 391793173 /nfs/dbraw/zinc/79/31/73/391793173.db2.gz KVRIQMGGMLODBE-MNOVXSKESA-N 1 2 256.346 1.231 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NC(=O)Nc1cccc(C)c1C ZINC000192220479 130395588 /nfs/dbraw/zinc/39/55/88/130395588.db2.gz QBDIVRAPLSULNR-UHFFFAOYSA-N 1 2 273.336 1.517 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NC(=O)Nc1cccc(C)c1C ZINC000192220479 130395591 /nfs/dbraw/zinc/39/55/91/130395591.db2.gz QBDIVRAPLSULNR-UHFFFAOYSA-N 1 2 273.336 1.517 20 30 CDEDLO C=C(C)C[N@H+](Cc1ccccc1)[C@@H](C(=O)OC)[C@@H](C)O ZINC000351955616 391838602 /nfs/dbraw/zinc/83/86/02/391838602.db2.gz CSSWHBQGRZPLFZ-UKRRQHHQSA-N 1 2 277.364 1.987 20 30 CDEDLO C=C(C)C[N@@H+](Cc1ccccc1)[C@@H](C(=O)OC)[C@@H](C)O ZINC000351955616 391838607 /nfs/dbraw/zinc/83/86/07/391838607.db2.gz CSSWHBQGRZPLFZ-UKRRQHHQSA-N 1 2 277.364 1.987 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(F)c1C#N ZINC000495021355 391904339 /nfs/dbraw/zinc/90/43/39/391904339.db2.gz VQJJVKMFDXIMKE-JTQLQIEISA-N 1 2 272.283 1.712 20 30 CDEDLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(F)cc1C#N ZINC000443070304 392517539 /nfs/dbraw/zinc/51/75/39/392517539.db2.gz QMLCKOQCOXQRRK-SNVBAGLBSA-N 1 2 297.355 1.022 20 30 CDEDLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(F)cc1C#N ZINC000443070304 392517545 /nfs/dbraw/zinc/51/75/45/392517545.db2.gz QMLCKOQCOXQRRK-SNVBAGLBSA-N 1 2 297.355 1.022 20 30 CDEDLO COc1cc(C[N@H+](C)[C@@H](C)CS(C)(=O)=O)ccc1C#N ZINC000442884465 392505031 /nfs/dbraw/zinc/50/50/31/392505031.db2.gz KSRFUUOOSQRTMQ-NSHDSACASA-N 1 2 296.392 1.432 20 30 CDEDLO COc1cc(C[N@@H+](C)[C@@H](C)CS(C)(=O)=O)ccc1C#N ZINC000442884465 392505036 /nfs/dbraw/zinc/50/50/36/392505036.db2.gz KSRFUUOOSQRTMQ-NSHDSACASA-N 1 2 296.392 1.432 20 30 CDEDLO CC[C@@](C)([NH2+]CCOc1ccc(C#N)cc1)C(=O)OC ZINC000265422180 131586378 /nfs/dbraw/zinc/58/63/78/131586378.db2.gz JFBHEZZQJCZJTQ-OAHLLOKOSA-N 1 2 276.336 1.868 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000649123650 392812057 /nfs/dbraw/zinc/81/20/57/392812057.db2.gz FIULOPFJMSCYLE-GFCCVEGCSA-N 1 2 252.358 1.132 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)c1ncc(C#N)cc1F ZINC000413270352 392831764 /nfs/dbraw/zinc/83/17/64/392831764.db2.gz QXCIZKCBJOGDOP-NSHDSACASA-N 1 2 278.331 1.249 20 30 CDEDLO COC(=O)C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000268729332 132056992 /nfs/dbraw/zinc/05/69/92/132056992.db2.gz XBXCQVZMQXMRAH-CQSZACIVSA-N 1 2 274.320 1.229 20 30 CDEDLO COC(=O)C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000268729332 132056994 /nfs/dbraw/zinc/05/69/94/132056994.db2.gz XBXCQVZMQXMRAH-CQSZACIVSA-N 1 2 274.320 1.229 20 30 CDEDLO Cc1cc(NCCCN(C)CC(F)(F)F)c(C#N)c[nH+]1 ZINC000425210480 392994155 /nfs/dbraw/zinc/99/41/55/392994155.db2.gz UTECQCSFPPBCJP-UHFFFAOYSA-N 1 2 286.301 1.980 20 30 CDEDLO Cc1cc(N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c(C#N)c[nH+]1 ZINC000425223836 392997174 /nfs/dbraw/zinc/99/71/74/392997174.db2.gz IXKDSMBEXWNVDH-TZMCWYRMSA-N 1 2 286.379 1.743 20 30 CDEDLO Cc1cc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c(C#N)cn1 ZINC000425227497 392997379 /nfs/dbraw/zinc/99/73/79/392997379.db2.gz OXBKTWSSCKOVNE-STQMWFEESA-N 1 2 274.368 1.205 20 30 CDEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CCO1 ZINC000528722007 393029580 /nfs/dbraw/zinc/02/95/80/393029580.db2.gz NIJCGCDGBQKFAG-AWEZNQCLSA-N 1 2 278.327 1.935 20 30 CDEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CCO1 ZINC000528722007 393029587 /nfs/dbraw/zinc/02/95/87/393029587.db2.gz NIJCGCDGBQKFAG-AWEZNQCLSA-N 1 2 278.327 1.935 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)c1F ZINC000494507909 393234011 /nfs/dbraw/zinc/23/40/11/393234011.db2.gz WLXUWQTWABRICL-ZDUSSCGKSA-N 1 2 289.310 1.724 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)c1F ZINC000494507909 393234018 /nfs/dbraw/zinc/23/40/18/393234018.db2.gz WLXUWQTWABRICL-ZDUSSCGKSA-N 1 2 289.310 1.724 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CNc1cccc(C#N)c1 ZINC000494546592 393234235 /nfs/dbraw/zinc/23/42/35/393234235.db2.gz MGLGEWOVLBYHBD-LBPRGKRZSA-N 1 2 283.335 1.372 20 30 CDEDLO COCC1=CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000185858563 140049085 /nfs/dbraw/zinc/04/90/85/140049085.db2.gz VMKODAYPCJXCCB-UHFFFAOYSA-N 1 2 285.347 1.775 20 30 CDEDLO COCC1=CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000185858563 140049086 /nfs/dbraw/zinc/04/90/86/140049086.db2.gz VMKODAYPCJXCCB-UHFFFAOYSA-N 1 2 285.347 1.775 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000186847119 140070150 /nfs/dbraw/zinc/07/01/50/140070150.db2.gz WXZRSSYFBHRIQK-CQDKDKBSSA-N 1 2 288.347 1.475 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000186847119 140070151 /nfs/dbraw/zinc/07/01/51/140070151.db2.gz WXZRSSYFBHRIQK-CQDKDKBSSA-N 1 2 288.347 1.475 20 30 CDEDLO CCN1CCN(c2nccc(C)c2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000530374512 397603936 /nfs/dbraw/zinc/60/39/36/397603936.db2.gz JLWFQHKIGOBOIG-AWEZNQCLSA-N 1 2 296.378 1.868 20 30 CDEDLO N#Cc1ccc(CNC(=O)COCc2[nH]cc[nH+]2)cc1 ZINC000346626718 153248675 /nfs/dbraw/zinc/24/86/75/153248675.db2.gz NMKLPOSVNYQJFR-UHFFFAOYSA-N 1 2 270.292 1.114 20 30 CDEDLO CC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)C[C@H](C)O ZINC000352220374 155032732 /nfs/dbraw/zinc/03/27/32/155032732.db2.gz HZDFJDTUJGWCCJ-LBPRGKRZSA-N 1 2 296.392 1.035 20 30 CDEDLO CC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)C[C@H](C)O ZINC000352220374 155032735 /nfs/dbraw/zinc/03/27/35/155032735.db2.gz HZDFJDTUJGWCCJ-LBPRGKRZSA-N 1 2 296.392 1.035 20 30 CDEDLO Cn1cc([C@H]2C[N@H+](Cc3cc(C#N)n(C)c3)CCO2)cn1 ZINC000375450784 160382023 /nfs/dbraw/zinc/38/20/23/160382023.db2.gz DQHRRZUQFNRUQF-OAHLLOKOSA-N 1 2 285.351 1.204 20 30 CDEDLO Cn1cc([C@H]2C[N@@H+](Cc3cc(C#N)n(C)c3)CCO2)cn1 ZINC000375450784 160382024 /nfs/dbraw/zinc/38/20/24/160382024.db2.gz DQHRRZUQFNRUQF-OAHLLOKOSA-N 1 2 285.351 1.204 20 30 CDEDLO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1nnnn1C ZINC000355867298 157271186 /nfs/dbraw/zinc/27/11/86/157271186.db2.gz ULXUKIBJOBZSEB-SNVBAGLBSA-N 1 2 256.313 1.275 20 30 CDEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1nnnn1C ZINC000355867298 157271188 /nfs/dbraw/zinc/27/11/88/157271188.db2.gz ULXUKIBJOBZSEB-SNVBAGLBSA-N 1 2 256.313 1.275 20 30 CDEDLO CC(C)(CNC(=O)c1ccc(C#N)s1)[NH+]1CCOCC1 ZINC000362981438 159283015 /nfs/dbraw/zinc/28/30/15/159283015.db2.gz WILRSVXKIZSZAO-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000363212080 159310077 /nfs/dbraw/zinc/31/00/77/159310077.db2.gz FTPJEEXIESQFGX-OAHLLOKOSA-N 1 2 294.358 1.976 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CCOC[C@@H](C)C2)c(C#N)c1C ZINC000374357148 160277143 /nfs/dbraw/zinc/27/71/43/160277143.db2.gz JSSHURANPAZYEQ-JTQLQIEISA-N 1 2 291.351 1.675 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CCOC[C@@H](C)C2)c(C#N)c1C ZINC000374357148 160277144 /nfs/dbraw/zinc/27/71/44/160277144.db2.gz JSSHURANPAZYEQ-JTQLQIEISA-N 1 2 291.351 1.675 20 30 CDEDLO C=CCNC(=O)C[S@@](=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000285116212 196200007 /nfs/dbraw/zinc/20/00/07/196200007.db2.gz MZTIXWVZXGVUOH-FQEVSTJZSA-N 1 2 291.376 1.194 20 30 CDEDLO CC#CCCNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000664703919 413603346 /nfs/dbraw/zinc/60/33/46/413603346.db2.gz NEEGPVIVLYIDCE-UHFFFAOYSA-N 1 2 293.411 1.154 20 30 CDEDLO CCC#C[C@@H](C)[NH+]1CCN(C(COC)COC)CC1 ZINC000664816566 413669887 /nfs/dbraw/zinc/66/98/87/413669887.db2.gz VYCLSFPWPGGZCR-CQSZACIVSA-N 1 2 268.401 1.067 20 30 CDEDLO C=CC[N@H+](Cc1nc(C2CC2)no1)[C@H](C)COC ZINC000661247082 413914524 /nfs/dbraw/zinc/91/45/24/413914524.db2.gz MDJNMHIESWNPLP-SNVBAGLBSA-N 1 2 251.330 1.970 20 30 CDEDLO C=CC[N@@H+](Cc1nc(C2CC2)no1)[C@H](C)COC ZINC000661247082 413914535 /nfs/dbraw/zinc/91/45/35/413914535.db2.gz MDJNMHIESWNPLP-SNVBAGLBSA-N 1 2 251.330 1.970 20 30 CDEDLO C#CC[N@@H+](CC(=O)N(C)C1CC1)Cc1ccccc1 ZINC000285603387 196340379 /nfs/dbraw/zinc/34/03/79/196340379.db2.gz JIZAVLVYLUDUDE-UHFFFAOYSA-N 1 2 256.349 1.743 20 30 CDEDLO C#CC[N@H+](CC(=O)N(C)C1CC1)Cc1ccccc1 ZINC000285603387 196340381 /nfs/dbraw/zinc/34/03/81/196340381.db2.gz JIZAVLVYLUDUDE-UHFFFAOYSA-N 1 2 256.349 1.743 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000662168481 414548602 /nfs/dbraw/zinc/54/86/02/414548602.db2.gz IFYFJBDSFHFHDN-GHMZBOCLSA-N 1 2 299.168 1.112 20 30 CDEDLO C=CCN1CC[C@H]([NH2+][C@@H](CO)c2ccc(F)cc2F)C1=O ZINC000662162957 414542247 /nfs/dbraw/zinc/54/22/47/414542247.db2.gz JHWMCOZUBSIWJR-KBPBESRZSA-N 1 2 296.317 1.375 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2cc(Cl)ccc2F)CC1 ZINC000040444257 174264175 /nfs/dbraw/zinc/26/41/75/174264175.db2.gz QVOODWGSCHICDL-UHFFFAOYSA-N 1 2 280.730 1.870 20 30 CDEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000045173613 175322147 /nfs/dbraw/zinc/32/21/47/175322147.db2.gz YLXFHZKQUSOXMV-JTQLQIEISA-N 1 2 252.339 1.482 20 30 CDEDLO N#Cc1cc(NC(=O)NCC[NH+]2CCOCC2)ccc1F ZINC000077499853 177275653 /nfs/dbraw/zinc/27/56/53/177275653.db2.gz XVXRWVPHHJHAIY-UHFFFAOYSA-N 1 2 292.314 1.151 20 30 CDEDLO O=C(C[N@@H+]1CCN2C(=O)CC[C@H]2C1)NC1CCCC1 ZINC000329060875 227278028 /nfs/dbraw/zinc/27/80/28/227278028.db2.gz UQQZBOLQXBHRJO-LBPRGKRZSA-N 1 2 265.357 1.192 20 30 CDEDLO O=C(C[N@H+]1CCN2C(=O)CC[C@H]2C1)NC1CCCC1 ZINC000329060875 227278034 /nfs/dbraw/zinc/27/80/34/227278034.db2.gz UQQZBOLQXBHRJO-LBPRGKRZSA-N 1 2 265.357 1.192 20 30 CDEDLO N#CCCN(CCC1CCOCC1)CC[NH+]1CCOCC1 ZINC000356054178 228103072 /nfs/dbraw/zinc/10/30/72/228103072.db2.gz DGOLIBFCNPBEHZ-UHFFFAOYSA-N 1 2 295.427 1.351 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]CC1CC(F)(F)C1 ZINC000330191461 228060540 /nfs/dbraw/zinc/06/05/40/228060540.db2.gz NDBYLBLOTHRINM-SNVBAGLBSA-N 1 2 284.310 1.747 20 30 CDEDLO C[C@H]([NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCCCO1 ZINC000330201725 228064430 /nfs/dbraw/zinc/06/44/30/228064430.db2.gz YGFXWBVMWLKQHT-YNEHKIRRSA-N 1 2 292.383 1.659 20 30 CDEDLO C[C@H](NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCCCO1 ZINC000330201725 228064433 /nfs/dbraw/zinc/06/44/33/228064433.db2.gz YGFXWBVMWLKQHT-YNEHKIRRSA-N 1 2 292.383 1.659 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)NCC2(C)CC2)CCO1 ZINC000330335269 228155542 /nfs/dbraw/zinc/15/55/42/228155542.db2.gz RLDSSRBGICXKQR-AAEUAGOBSA-N 1 2 292.383 1.944 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCOC[C@H]1c1cccn1C ZINC000249416291 261252518 /nfs/dbraw/zinc/25/25/18/261252518.db2.gz ZKLIDKVCBHTKTE-ZFWWWQNUSA-N 1 2 264.369 1.726 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCOC[C@H]1c1cccn1C ZINC000249416291 261252520 /nfs/dbraw/zinc/25/25/20/261252520.db2.gz ZKLIDKVCBHTKTE-ZFWWWQNUSA-N 1 2 264.369 1.726 20 30 CDEDLO Cc1ncsc1C[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000171750665 261480332 /nfs/dbraw/zinc/48/03/32/261480332.db2.gz GXALBUYDGAVJFR-AWEZNQCLSA-N 1 2 292.408 1.692 20 30 CDEDLO Cc1ncsc1C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000171750665 261480335 /nfs/dbraw/zinc/48/03/35/261480335.db2.gz GXALBUYDGAVJFR-AWEZNQCLSA-N 1 2 292.408 1.692 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1cnn(C)c1 ZINC000491763874 262014801 /nfs/dbraw/zinc/01/48/01/262014801.db2.gz BAUHUEDFZMVFIX-AAEUAGOBSA-N 1 2 274.368 1.241 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1cnn(C)c1 ZINC000491763874 262014802 /nfs/dbraw/zinc/01/48/02/262014802.db2.gz BAUHUEDFZMVFIX-AAEUAGOBSA-N 1 2 274.368 1.241 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)[C@@]2(CCCO2)[C@@H]1C(C)C ZINC000491817411 262089495 /nfs/dbraw/zinc/08/94/95/262089495.db2.gz YOGLSXMODSORLG-KCQAQPDRSA-N 1 2 264.369 1.313 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)[C@@]2(CCCO2)[C@@H]1C(C)C ZINC000491817411 262089497 /nfs/dbraw/zinc/08/94/97/262089497.db2.gz YOGLSXMODSORLG-KCQAQPDRSA-N 1 2 264.369 1.313 20 30 CDEDLO C[C@H]1C[N@H+](CCN(CCC#N)Cc2ccco2)CCO1 ZINC000191525575 262193114 /nfs/dbraw/zinc/19/31/14/262193114.db2.gz NKJMBEAYNUASMC-AWEZNQCLSA-N 1 2 277.368 1.716 20 30 CDEDLO C[C@H]1C[N@@H+](CCN(CCC#N)Cc2ccco2)CCO1 ZINC000191525575 262193115 /nfs/dbraw/zinc/19/31/15/262193115.db2.gz NKJMBEAYNUASMC-AWEZNQCLSA-N 1 2 277.368 1.716 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@]1(C)C(=O)OC ZINC000186379380 262314306 /nfs/dbraw/zinc/31/43/06/262314306.db2.gz UTNAYOCKNPAXOI-WFASDCNBSA-N 1 2 295.383 1.022 20 30 CDEDLO C=CC[C@H](C)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366469404 262662079 /nfs/dbraw/zinc/66/20/79/262662079.db2.gz GSSHOWVILNOUIR-AAEUAGOBSA-N 1 2 267.373 1.113 20 30 CDEDLO C=CC[C@H](C)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366469404 262662080 /nfs/dbraw/zinc/66/20/80/262662080.db2.gz GSSHOWVILNOUIR-AAEUAGOBSA-N 1 2 267.373 1.113 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1c(F)cccc1F ZINC000414154068 262811259 /nfs/dbraw/zinc/81/12/59/262811259.db2.gz YYDLHBQPKZYCGE-JTQLQIEISA-N 1 2 270.279 1.550 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1c(F)cccc1F ZINC000414154068 262811260 /nfs/dbraw/zinc/81/12/60/262811260.db2.gz YYDLHBQPKZYCGE-JTQLQIEISA-N 1 2 270.279 1.550 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)NCC1CCC(C#N)CC1 ZINC000281950255 263073213 /nfs/dbraw/zinc/07/32/13/263073213.db2.gz ULHFGDPBZGVXEQ-UHFFFAOYSA-N 1 2 275.356 1.549 20 30 CDEDLO NC(=[NH+]OCc1nnc(-c2ccccc2)o1)[C@H]1CCCO1 ZINC000284587303 263087548 /nfs/dbraw/zinc/08/75/48/263087548.db2.gz XTLJMHVTNIYBDC-LLVKDONJSA-N 1 2 288.307 1.704 20 30 CDEDLO CC[C@](C)(C#N)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000285105449 263090299 /nfs/dbraw/zinc/09/02/99/263090299.db2.gz UJIMOFDPRLFZLQ-CQSZACIVSA-N 1 2 256.309 1.890 20 30 CDEDLO CO/N=C/C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000289116189 263107614 /nfs/dbraw/zinc/10/76/14/263107614.db2.gz DCSGUTNNPVSCEC-PILJQMSFSA-N 1 2 291.351 1.651 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292193573 263129391 /nfs/dbraw/zinc/12/93/91/263129391.db2.gz NGOGTGPWUQERAU-GJZGRUSLSA-N 1 2 295.346 1.850 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292193573 263129392 /nfs/dbraw/zinc/12/93/92/263129392.db2.gz NGOGTGPWUQERAU-GJZGRUSLSA-N 1 2 295.346 1.850 20 30 CDEDLO Cc1[nH+]c2cc(OS(=O)(=O)CCCC#N)ccc2n1C ZINC000297097205 263200853 /nfs/dbraw/zinc/20/08/53/263200853.db2.gz OGKXDLHPJGCQKP-UHFFFAOYSA-N 1 2 293.348 1.894 20 30 CDEDLO CC1(C)C[C@@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000120569701 263287608 /nfs/dbraw/zinc/28/76/08/263287608.db2.gz AOOOMZBVHHSRJE-CYBMUJFWSA-N 1 2 279.384 1.107 20 30 CDEDLO C=CCOc1cccnc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000342364918 263417862 /nfs/dbraw/zinc/41/78/62/263417862.db2.gz FYBKYBVIBVKDGW-UHFFFAOYSA-N 1 2 272.308 1.642 20 30 CDEDLO C[C@H](NC(=O)[C@]1(C)CCC(=O)NC1)[C@H](C)[NH+]1CCOCC1 ZINC000328673261 263837041 /nfs/dbraw/zinc/83/70/41/263837041.db2.gz OYFDJKBWBYELEZ-SLEUVZQESA-N 1 2 297.399 1.809 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCO[C@H](C)C1)CCC2 ZINC000328726301 263861187 /nfs/dbraw/zinc/86/11/87/263861187.db2.gz UMXHZOGYLAALMS-OLZOCXBDSA-N 1 2 292.383 1.704 20 30 CDEDLO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)NC(=O)NC1CC1 ZINC000328865852 263883146 /nfs/dbraw/zinc/88/31/46/263883146.db2.gz ZSGBKCBXJVMHOJ-NXEZZACHSA-N 1 2 280.328 1.070 20 30 CDEDLO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)NC(=O)NC1CC1 ZINC000328865852 263883147 /nfs/dbraw/zinc/88/31/47/263883147.db2.gz ZSGBKCBXJVMHOJ-NXEZZACHSA-N 1 2 280.328 1.070 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCO[C@@H](c2noc(C)n2)C1 ZINC000330773719 264034716 /nfs/dbraw/zinc/03/47/16/264034716.db2.gz QQSHFPKPNZYNQM-VXGBXAGGSA-N 1 2 267.329 1.078 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCO[C@@H](c2noc(C)n2)C1 ZINC000330773719 264034719 /nfs/dbraw/zinc/03/47/19/264034719.db2.gz QQSHFPKPNZYNQM-VXGBXAGGSA-N 1 2 267.329 1.078 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000331267355 264168217 /nfs/dbraw/zinc/16/82/17/264168217.db2.gz JKKUFPDIKBWYSB-HNNXBMFYSA-N 1 2 291.399 1.025 20 30 CDEDLO C[C@H](CC#N)N(C)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000343271367 264298593 /nfs/dbraw/zinc/29/85/93/264298593.db2.gz QNBGELQXWQCSBL-SNVBAGLBSA-N 1 2 273.327 1.724 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](NC(=O)CC)C2)nn1 ZINC000653527131 424243798 /nfs/dbraw/zinc/24/37/98/424243798.db2.gz YTYDPASOGLRJFY-CYBMUJFWSA-N 1 2 291.399 1.345 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](NC(=O)CC)C2)nn1 ZINC000653527131 424243804 /nfs/dbraw/zinc/24/38/04/424243804.db2.gz YTYDPASOGLRJFY-CYBMUJFWSA-N 1 2 291.399 1.345 20 30 CDEDLO C=CCCC1(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000356192909 266069230 /nfs/dbraw/zinc/06/92/30/266069230.db2.gz ORAQZNKXKSCLCG-CQSZACIVSA-N 1 2 278.396 1.666 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@@H](C)C1CCCC1)C(=O)OC ZINC000361110835 266785952 /nfs/dbraw/zinc/78/59/52/266785952.db2.gz IAPCRAOGFUHFNG-WCQYABFASA-N 1 2 255.358 1.899 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000362591354 267015025 /nfs/dbraw/zinc/01/50/25/267015025.db2.gz QQPIOBNZIFKYCD-ZDUSSCGKSA-N 1 2 295.427 1.422 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000362591354 267015027 /nfs/dbraw/zinc/01/50/27/267015027.db2.gz QQPIOBNZIFKYCD-ZDUSSCGKSA-N 1 2 295.427 1.422 20 30 CDEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCC#N)C1 ZINC000367604436 267104355 /nfs/dbraw/zinc/10/43/55/267104355.db2.gz TUZBLBTZCLUPTD-SECBINFHSA-N 1 2 250.220 1.327 20 30 CDEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CCC#N)C1 ZINC000367604436 267104359 /nfs/dbraw/zinc/10/43/59/267104359.db2.gz TUZBLBTZCLUPTD-SECBINFHSA-N 1 2 250.220 1.327 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000219366982 267123639 /nfs/dbraw/zinc/12/36/39/267123639.db2.gz UVNQEMSWSKNBQT-TZMCWYRMSA-N 1 2 273.336 1.389 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000219366982 267123642 /nfs/dbraw/zinc/12/36/42/267123642.db2.gz UVNQEMSWSKNBQT-TZMCWYRMSA-N 1 2 273.336 1.389 20 30 CDEDLO C[C@H]1OCC[C@@]12C[N@H+](C[C@H](C#N)CCC#N)C[C@@H](C)O2 ZINC000369301099 267233901 /nfs/dbraw/zinc/23/39/01/267233901.db2.gz AFVLEYOBLWAYJZ-APIJFGDWSA-N 1 2 277.368 1.698 20 30 CDEDLO C[C@H]1OCC[C@@]12C[N@@H+](C[C@H](C#N)CCC#N)C[C@@H](C)O2 ZINC000369301099 267233902 /nfs/dbraw/zinc/23/39/02/267233902.db2.gz AFVLEYOBLWAYJZ-APIJFGDWSA-N 1 2 277.368 1.698 20 30 CDEDLO CCN1CCN(c2cc(C)nc(C#N)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000553565535 290127641 /nfs/dbraw/zinc/12/76/41/290127641.db2.gz HABRQWZVPABILJ-HNNXBMFYSA-N 1 2 296.378 1.868 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000569009839 294142224 /nfs/dbraw/zinc/14/22/24/294142224.db2.gz BEEZUSXXIQLSCN-UHFFFAOYSA-N 1 2 269.308 1.650 20 30 CDEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC000569066280 294148667 /nfs/dbraw/zinc/14/86/67/294148667.db2.gz ZARHWZIAPIPUNR-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO Cn1cc(N2CCC[C@@H]([NH+]3CCC(C#N)CC3)C2=O)cn1 ZINC000159841226 294246128 /nfs/dbraw/zinc/24/61/28/294246128.db2.gz NMDXQUSWACFCRA-CQSZACIVSA-N 1 2 287.367 1.151 20 30 CDEDLO Cn1cccc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000570657068 294282185 /nfs/dbraw/zinc/28/21/85/294282185.db2.gz YEVOOTKURJRGKY-UHFFFAOYSA-N 1 2 281.363 1.614 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCO[C@@H]2CCC[C@H]21 ZINC000330281814 295385171 /nfs/dbraw/zinc/38/51/71/295385171.db2.gz UYIZQVIDMKPUPZ-JHJVBQTASA-N 1 2 290.367 1.365 20 30 CDEDLO C[C@H]1C[C@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)c2[nH+]ccn21 ZINC000333442951 300515218 /nfs/dbraw/zinc/51/52/18/300515218.db2.gz WXAVBLYHCHVACV-YFKTTZPYSA-N 1 2 273.340 1.880 20 30 CDEDLO N#Cc1cccnc1N1CC[NH+](Cc2ncccc2O)CC1 ZINC000563572890 316332877 /nfs/dbraw/zinc/33/28/77/316332877.db2.gz ZEKNUFCZAJHLST-UHFFFAOYSA-N 1 2 295.346 1.376 20 30 CDEDLO C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000272972258 328202453 /nfs/dbraw/zinc/20/24/53/328202453.db2.gz KXDNLJFRAJYACH-RISCZKNCSA-N 1 2 289.335 1.247 20 30 CDEDLO C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000272972258 328202455 /nfs/dbraw/zinc/20/24/55/328202455.db2.gz KXDNLJFRAJYACH-RISCZKNCSA-N 1 2 289.335 1.247 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000305173386 328395937 /nfs/dbraw/zinc/39/59/37/328395937.db2.gz USVAUIBGVDKANS-KOLCDFICSA-N 1 2 294.317 1.312 20 30 CDEDLO Cc1cc(NC(=O)NCC2(CC#N)CC2)c(C)c[nH+]1 ZINC000562410990 327480039 /nfs/dbraw/zinc/48/00/39/327480039.db2.gz RSWMSHUVYGDCLE-UHFFFAOYSA-N 1 2 258.325 1.936 20 30 CDEDLO C=CC[C@@H](C)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000172131587 329081468 /nfs/dbraw/zinc/08/14/68/329081468.db2.gz CGYUBWRBSHTBKT-GFCCVEGCSA-N 1 2 269.389 1.361 20 30 CDEDLO C=CC[C@@H](C)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000172131587 329081470 /nfs/dbraw/zinc/08/14/70/329081470.db2.gz CGYUBWRBSHTBKT-GFCCVEGCSA-N 1 2 269.389 1.361 20 30 CDEDLO Cc1cccc2c1C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)O2 ZINC000582550259 329106094 /nfs/dbraw/zinc/10/60/94/329106094.db2.gz QNSDCHBAGJCGCJ-GDBMZVCRSA-N 1 2 287.363 1.259 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@H](COC)C1 ZINC000172887440 329138946 /nfs/dbraw/zinc/13/89/46/329138946.db2.gz BXRQUKLLLLKCEX-KBPBESRZSA-N 1 2 284.400 1.147 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@H](COC)C1 ZINC000172887440 329138948 /nfs/dbraw/zinc/13/89/48/329138948.db2.gz BXRQUKLLLLKCEX-KBPBESRZSA-N 1 2 284.400 1.147 20 30 CDEDLO C=C(C)CN(C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000181158035 329233034 /nfs/dbraw/zinc/23/30/34/329233034.db2.gz WHJYHRIHVBSCJF-QWHCGFSZSA-N 1 2 269.389 1.313 20 30 CDEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(F)cn2)nn1 ZINC000424293361 330335304 /nfs/dbraw/zinc/33/53/04/330335304.db2.gz IMFBUVVNVVPPMR-JTQLQIEISA-N 1 2 261.304 1.849 20 30 CDEDLO COC(=O)c1n[nH]c2c1C[N@H+](CCC(C)(C)C#N)CC2 ZINC000451743882 331040926 /nfs/dbraw/zinc/04/09/26/331040926.db2.gz KGBKDCVGCDCCBB-UHFFFAOYSA-N 1 2 276.340 1.494 20 30 CDEDLO COC(=O)c1n[nH]c2c1C[N@@H+](CCC(C)(C)C#N)CC2 ZINC000451743882 331040927 /nfs/dbraw/zinc/04/09/27/331040927.db2.gz KGBKDCVGCDCCBB-UHFFFAOYSA-N 1 2 276.340 1.494 20 30 CDEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)N[C@@H](C(C)=O)C(C)C ZINC000489399188 332050282 /nfs/dbraw/zinc/05/02/82/332050282.db2.gz IXCJMIFDQBUDTB-DZGCQCFKSA-N 1 2 266.385 1.757 20 30 CDEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)N[C@@H](C(C)=O)C(C)C ZINC000489399188 332050283 /nfs/dbraw/zinc/05/02/83/332050283.db2.gz IXCJMIFDQBUDTB-DZGCQCFKSA-N 1 2 266.385 1.757 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2Cl)CC1 ZINC000490761186 332113424 /nfs/dbraw/zinc/11/34/24/332113424.db2.gz RXVSKDGEKVPMFG-UHFFFAOYSA-N 1 2 291.782 1.529 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000490841601 332119552 /nfs/dbraw/zinc/11/95/52/332119552.db2.gz VZLBOWBFQCIPLU-UHFFFAOYSA-N 1 2 279.343 1.461 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000490841601 332119553 /nfs/dbraw/zinc/11/95/53/332119553.db2.gz VZLBOWBFQCIPLU-UHFFFAOYSA-N 1 2 279.343 1.461 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CC[C@H](C(=O)OC)c1ccccc1 ZINC000491385447 332201957 /nfs/dbraw/zinc/20/19/57/332201957.db2.gz RONTWIVKEKEJQM-CVEARBPZSA-N 1 2 287.359 1.667 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CC[C@H](C(=O)OC)c1ccccc1 ZINC000491385447 332201959 /nfs/dbraw/zinc/20/19/59/332201959.db2.gz RONTWIVKEKEJQM-CVEARBPZSA-N 1 2 287.359 1.667 20 30 CDEDLO C#CCN(C)C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000491462699 332216169 /nfs/dbraw/zinc/21/61/69/332216169.db2.gz JSPOQEMNANCJIY-SECBINFHSA-N 1 2 273.258 1.548 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2C2CC2)CC1 ZINC000491486159 332220817 /nfs/dbraw/zinc/22/08/17/332220817.db2.gz UOHZYXTUHSURJF-UHFFFAOYSA-N 1 2 271.368 1.246 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000491496452 332223255 /nfs/dbraw/zinc/22/32/55/332223255.db2.gz QNJBZKPDBYLGBS-CQSZACIVSA-N 1 2 262.353 1.421 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000491496452 332223256 /nfs/dbraw/zinc/22/32/56/332223256.db2.gz QNJBZKPDBYLGBS-CQSZACIVSA-N 1 2 262.353 1.421 20 30 CDEDLO C#C[C@H](NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)C(C)C ZINC000491626731 332250337 /nfs/dbraw/zinc/25/03/37/332250337.db2.gz MQOZJLOZIXRISJ-SRVKXCTJSA-N 1 2 260.341 1.846 20 30 CDEDLO C#CCn1ccc(CN(CC)C(=O)C[C@@H](C)n2cc[nH+]c2)n1 ZINC000491629662 332252627 /nfs/dbraw/zinc/25/26/27/332252627.db2.gz ONYPUFLHUBIUBI-CQSZACIVSA-N 1 2 299.378 1.713 20 30 CDEDLO C#CCNC(=O)C1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000491662235 332271767 /nfs/dbraw/zinc/27/17/67/332271767.db2.gz LUIDHIXVSWNNLN-UHFFFAOYSA-N 1 2 282.347 1.228 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000491664517 332273376 /nfs/dbraw/zinc/27/33/76/332273376.db2.gz HOXAHGNYQCRDIF-HZPDHXFCSA-N 1 2 289.375 1.377 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000491664517 332273377 /nfs/dbraw/zinc/27/33/77/332273377.db2.gz HOXAHGNYQCRDIF-HZPDHXFCSA-N 1 2 289.375 1.377 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000491673221 332279628 /nfs/dbraw/zinc/27/96/28/332279628.db2.gz UDBSFJHODZKXPT-CABCVRRESA-N 1 2 260.381 1.734 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000491781732 332345848 /nfs/dbraw/zinc/34/58/48/332345848.db2.gz GXZKLTSSEFSOJM-MRXNPFEDSA-N 1 2 284.359 1.981 20 30 CDEDLO C#CC[N@H+](C[C@@H]1Cc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000491789529 332351743 /nfs/dbraw/zinc/35/17/43/332351743.db2.gz VEHONEYGKQSIJR-GJZGRUSLSA-N 1 2 289.400 1.449 20 30 CDEDLO C#CC[N@@H+](C[C@@H]1Cc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000491789529 332351745 /nfs/dbraw/zinc/35/17/45/332351745.db2.gz VEHONEYGKQSIJR-GJZGRUSLSA-N 1 2 289.400 1.449 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000192231583 333233238 /nfs/dbraw/zinc/23/32/38/333233238.db2.gz TUCKAWDQDHAFMC-JTQLQIEISA-N 1 2 262.275 1.352 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000192231583 333233240 /nfs/dbraw/zinc/23/32/40/333233240.db2.gz TUCKAWDQDHAFMC-JTQLQIEISA-N 1 2 262.275 1.352 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000192230299 333233266 /nfs/dbraw/zinc/23/32/66/333233266.db2.gz QGLFDVKCXFCBCW-UHFFFAOYSA-N 1 2 282.290 1.469 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000192230299 333233268 /nfs/dbraw/zinc/23/32/68/333233268.db2.gz QGLFDVKCXFCBCW-UHFFFAOYSA-N 1 2 282.290 1.469 20 30 CDEDLO C=CCNC(=O)C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528762834 333455999 /nfs/dbraw/zinc/45/59/99/333455999.db2.gz QSUAQQVXVFQQOF-UHFFFAOYSA-N 1 2 298.390 1.592 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)Nc1ccc(CC#N)cc1 ZINC000547539528 334100055 /nfs/dbraw/zinc/10/00/55/334100055.db2.gz KRMMEOSPOVOCJL-UHFFFAOYSA-N 1 2 254.293 1.667 20 30 CDEDLO CCc1nocc1C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000549960880 334210337 /nfs/dbraw/zinc/21/03/37/334210337.db2.gz CLMWBBHRFBXLII-NSHDSACASA-N 1 2 290.367 1.620 20 30 CDEDLO CCc1nocc1C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000549960880 334210338 /nfs/dbraw/zinc/21/03/38/334210338.db2.gz CLMWBBHRFBXLII-NSHDSACASA-N 1 2 290.367 1.620 20 30 CDEDLO C=CCNC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000553183487 334367329 /nfs/dbraw/zinc/36/73/29/334367329.db2.gz KBAYFXAOOXQPSA-QMMMGPOBSA-N 1 2 261.247 1.758 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000565051581 334536699 /nfs/dbraw/zinc/53/66/99/334536699.db2.gz NSQIGHUCRPOKJH-LLVKDONJSA-N 1 2 282.325 1.230 20 30 CDEDLO CC(C)Oc1ncccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000577180209 335317865 /nfs/dbraw/zinc/31/78/65/335317865.db2.gz BKYLBCDJZWNSNA-OAHLLOKOSA-N 1 2 290.367 1.442 20 30 CDEDLO N#CCC[NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000579703941 335868800 /nfs/dbraw/zinc/86/88/00/335868800.db2.gz UQNVHOBLMCVIEG-NSHDSACASA-N 1 2 265.263 1.573 20 30 CDEDLO C[NH+](C)[C@H](CNC[C@@H](C#N)CCC#N)c1ccco1 ZINC000581243763 336030149 /nfs/dbraw/zinc/03/01/49/336030149.db2.gz UREKYVNVNDFAHH-CHWSQXEVSA-N 1 2 260.341 1.915 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C[C@H]2CC=CCC2)C1 ZINC001753650869 1159869729 /nfs/dbraw/zinc/86/97/29/1159869729.db2.gz BJAUHCQINUKWTH-LSDHHAIUSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C[C@H]2CC=CCC2)C1 ZINC001753650869 1159869738 /nfs/dbraw/zinc/86/97/38/1159869738.db2.gz BJAUHCQINUKWTH-LSDHHAIUSA-N 1 2 278.396 1.736 20 30 CDEDLO COc1ccc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1C#N ZINC000135147445 482447734 /nfs/dbraw/zinc/44/77/34/482447734.db2.gz MQKMEQUESPZKOV-CABCVRRESA-N 1 2 299.374 1.810 20 30 CDEDLO COc1ccc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1C#N ZINC000135147445 482447735 /nfs/dbraw/zinc/44/77/35/482447735.db2.gz MQKMEQUESPZKOV-CABCVRRESA-N 1 2 299.374 1.810 20 30 CDEDLO N#Cc1ccc(F)c(C[NH+]2CC(C3COC3)C2)c1F ZINC001143164567 1161491552 /nfs/dbraw/zinc/49/15/52/1161491552.db2.gz MCHMISQGHLFQGB-UHFFFAOYSA-N 1 2 264.275 1.915 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001108286207 1161984178 /nfs/dbraw/zinc/98/41/78/1161984178.db2.gz WOGPOVULYCFDEC-NWDGAFQWSA-N 1 2 292.383 1.683 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N(C)CC[NH2+]Cc1nnc(C)o1 ZINC001753228438 1185124531 /nfs/dbraw/zinc/12/45/31/1185124531.db2.gz VZNUXFKDADJOAW-CQSZACIVSA-N 1 2 280.372 1.528 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1C[N@H+](CCOC(C)C)CCO1 ZINC001753659638 1185291556 /nfs/dbraw/zinc/29/15/56/1185291556.db2.gz YOFMDFDUANCIMF-CQSZACIVSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1C[N@@H+](CCOC(C)C)CCO1 ZINC001753659638 1185291563 /nfs/dbraw/zinc/29/15/63/1185291563.db2.gz YOFMDFDUANCIMF-CQSZACIVSA-N 1 2 284.400 1.195 20 30 CDEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCO[C@H](C#N)C2)c1 ZINC000332009011 534240758 /nfs/dbraw/zinc/24/07/58/534240758.db2.gz XFANNHHJOSMFLD-CYBMUJFWSA-N 1 2 296.330 1.545 20 30 CDEDLO N#CCCCNc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000342133075 518196250 /nfs/dbraw/zinc/19/62/50/518196250.db2.gz JOCFMWWTFLMSIW-UHFFFAOYSA-N 1 2 280.295 1.321 20 30 CDEDLO N#CC1(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CCC1 ZINC000333170134 534555211 /nfs/dbraw/zinc/55/52/11/534555211.db2.gz NNOBGACIEQJUTP-CQSZACIVSA-N 1 2 291.395 1.440 20 30 CDEDLO N#CC1(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CCC1 ZINC000333170134 534555219 /nfs/dbraw/zinc/55/52/19/534555219.db2.gz NNOBGACIEQJUTP-CQSZACIVSA-N 1 2 291.395 1.440 20 30 CDEDLO COc1ccc(C[NH+]2CCN(CC#N)CC2)cc1F ZINC000052661813 524031909 /nfs/dbraw/zinc/03/19/09/524031909.db2.gz INGDDPLCIHPMBY-UHFFFAOYSA-N 1 2 263.316 1.475 20 30 CDEDLO [O-]C(NC(C1CC1)C1CC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330177091 534764117 /nfs/dbraw/zinc/76/41/17/534764117.db2.gz KLVQQJXLIFXIHS-GFCCVEGCSA-N 1 2 274.368 1.890 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C(C1CC1)C1CC1 ZINC000330177091 534764119 /nfs/dbraw/zinc/76/41/19/534764119.db2.gz KLVQQJXLIFXIHS-GFCCVEGCSA-N 1 2 274.368 1.890 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338627223 526153253 /nfs/dbraw/zinc/15/32/53/526153253.db2.gz QHLUNKIWXKNWBX-ABAIWWIYSA-N 1 2 291.326 1.292 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338627223 526153262 /nfs/dbraw/zinc/15/32/62/526153262.db2.gz QHLUNKIWXKNWBX-ABAIWWIYSA-N 1 2 291.326 1.292 20 30 CDEDLO C=CC[N@H+](Cc1ccccc1)[C@@H](C(=O)OC)[C@H](C)O ZINC000351969260 526358829 /nfs/dbraw/zinc/35/88/29/526358829.db2.gz VGPVEZGFRVDWHH-GXTWGEPZSA-N 1 2 263.337 1.597 20 30 CDEDLO C=CC[N@@H+](Cc1ccccc1)[C@@H](C(=O)OC)[C@H](C)O ZINC000351969260 526358832 /nfs/dbraw/zinc/35/88/32/526358832.db2.gz VGPVEZGFRVDWHH-GXTWGEPZSA-N 1 2 263.337 1.597 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCOc3c(F)cccc3C2)C1=O ZINC000335916612 526509668 /nfs/dbraw/zinc/50/96/68/526509668.db2.gz ZXBCYDNSNAHFEO-AWEZNQCLSA-N 1 2 290.338 1.807 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCOc3c(F)cccc3C2)C1=O ZINC000335916612 526509673 /nfs/dbraw/zinc/50/96/73/526509673.db2.gz ZXBCYDNSNAHFEO-AWEZNQCLSA-N 1 2 290.338 1.807 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000365840852 526535678 /nfs/dbraw/zinc/53/56/78/526535678.db2.gz NUXHPRURJUCJKR-UHFFFAOYSA-N 1 2 283.335 1.392 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000347614773 526698325 /nfs/dbraw/zinc/69/83/25/526698325.db2.gz AHEXCOQAXAIBKP-ZIAGYGMSSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000347614773 526698332 /nfs/dbraw/zinc/69/83/32/526698332.db2.gz AHEXCOQAXAIBKP-ZIAGYGMSSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CCOCC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000344979424 526710955 /nfs/dbraw/zinc/71/09/55/526710955.db2.gz VGGWTEBCDCEMES-UHFFFAOYSA-N 1 2 259.309 1.462 20 30 CDEDLO C#CCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367158248 527008233 /nfs/dbraw/zinc/00/82/33/527008233.db2.gz HLLFWLUCCLZXCY-ZDUSSCGKSA-N 1 2 286.379 1.742 20 30 CDEDLO C=CCC(CC=C)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000343685827 527025562 /nfs/dbraw/zinc/02/55/62/527025562.db2.gz ULKFMQYZQPZVAV-UHFFFAOYSA-N 1 2 288.395 1.822 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347355810 527634526 /nfs/dbraw/zinc/63/45/26/527634526.db2.gz TVYGXMSPERMSOB-DZGCQCFKSA-N 1 2 284.375 1.372 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@](F)(CO)C1 ZINC000347355810 527634530 /nfs/dbraw/zinc/63/45/30/527634530.db2.gz TVYGXMSPERMSOB-DZGCQCFKSA-N 1 2 284.375 1.372 20 30 CDEDLO C[C@H](NC(=O)N(C)CC[NH+]1CCOCC1)[C@H]1CCCCO1 ZINC000329361531 538563202 /nfs/dbraw/zinc/56/32/02/538563202.db2.gz IMZVAPQONLCWKD-UONOGXRCSA-N 1 2 299.415 1.122 20 30 CDEDLO CC(C)C[C@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000726559595 574500369 /nfs/dbraw/zinc/50/03/69/574500369.db2.gz LOGLQNONWILKAO-CYBMUJFWSA-N 1 2 283.335 1.935 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2cccc3c2ccn3C)CC1 ZINC000726985502 574531690 /nfs/dbraw/zinc/53/16/90/574531690.db2.gz NRDYVHQGTYDMDI-UHFFFAOYSA-N 1 2 281.359 1.569 20 30 CDEDLO C#Cc1ccc(C(=O)NCc2cn3cc(C)ccc3[nH+]2)cn1 ZINC000728861746 574662388 /nfs/dbraw/zinc/66/23/88/574662388.db2.gz WCXVBDSEKPRTKE-UHFFFAOYSA-N 1 2 290.326 1.949 20 30 CDEDLO C#Cc1ccc(C(=O)NCCNc2cccc[nH+]2)cn1 ZINC000728962379 574678842 /nfs/dbraw/zinc/67/88/42/574678842.db2.gz RFNAVILZUGTKGZ-UHFFFAOYSA-N 1 2 266.304 1.300 20 30 CDEDLO C#CCOCCNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000753377328 574750287 /nfs/dbraw/zinc/75/02/87/574750287.db2.gz ACGVCMAKPQDEHD-UONOGXRCSA-N 1 2 290.367 1.125 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(F)c1 ZINC000730098056 574849054 /nfs/dbraw/zinc/84/90/54/574849054.db2.gz SUWLPKARJGVROH-ZDUSSCGKSA-N 1 2 276.311 1.870 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(F)c1 ZINC000730098056 574849057 /nfs/dbraw/zinc/84/90/57/574849057.db2.gz SUWLPKARJGVROH-ZDUSSCGKSA-N 1 2 276.311 1.870 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCc2ccc(F)cc21 ZINC000730281675 574909010 /nfs/dbraw/zinc/90/90/10/574909010.db2.gz RMSVMTJFLJLOCG-AWEZNQCLSA-N 1 2 272.323 1.812 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCc2ccc(F)cc21 ZINC000730281675 574909012 /nfs/dbraw/zinc/90/90/12/574909012.db2.gz RMSVMTJFLJLOCG-AWEZNQCLSA-N 1 2 272.323 1.812 20 30 CDEDLO CCCCCCCC(=O)N1CC[NH2+]C[C@H]1C(=O)OCC ZINC000116041283 1174963193 /nfs/dbraw/zinc/96/31/93/1174963193.db2.gz DQXHASRRDNVRLY-ZDUSSCGKSA-N 1 2 284.400 1.710 20 30 CDEDLO COc1nc(N(C)C)sc1C=[NH+]OC1CCOCC1 ZINC000774445802 575205390 /nfs/dbraw/zinc/20/53/90/575205390.db2.gz XXIDYEVMUMMFPH-UHFFFAOYSA-N 1 2 285.369 1.747 20 30 CDEDLO C#CCNC(=O)C[NH2+][C@H](C)c1c(F)cccc1F ZINC000774862780 575247036 /nfs/dbraw/zinc/24/70/36/575247036.db2.gz FQHMYZMJSVVDPN-SECBINFHSA-N 1 2 252.264 1.365 20 30 CDEDLO COc1ccc([NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)cc1 ZINC000735858083 575521849 /nfs/dbraw/zinc/52/18/49/575521849.db2.gz VGOKPIWJNPXFKX-LBPRGKRZSA-N 1 2 287.363 1.940 20 30 CDEDLO C=C(Cl)CNC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000736246163 575603261 /nfs/dbraw/zinc/60/32/61/575603261.db2.gz OFKYRLJWSSAUTN-FRRDWIJNSA-N 1 2 288.819 1.989 20 30 CDEDLO C=C(Cl)CNC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000736246163 575603264 /nfs/dbraw/zinc/60/32/64/575603264.db2.gz OFKYRLJWSSAUTN-FRRDWIJNSA-N 1 2 288.819 1.989 20 30 CDEDLO C[C@H](C#N)CNN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000771099631 575634009 /nfs/dbraw/zinc/63/40/09/575634009.db2.gz QZCHXDJAMXWCNS-GFCCVEGCSA-N 1 2 253.309 1.955 20 30 CDEDLO C#C[C@@H](C)NC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000773598972 575829178 /nfs/dbraw/zinc/82/91/78/575829178.db2.gz QNIPTADPTDMVNY-SNVBAGLBSA-N 1 2 256.309 1.464 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CC(O)(C(C)C)C1 ZINC000773890990 575843243 /nfs/dbraw/zinc/84/32/43/575843243.db2.gz MDRWJBMNPZMCLG-CYBMUJFWSA-N 1 2 266.385 1.278 20 30 CDEDLO C=CC[N@@H+](CC(=O)OCC)Cc1cc2c(cc1O)OCO2 ZINC000768754075 576305730 /nfs/dbraw/zinc/30/57/30/576305730.db2.gz GJDJEXNQUNUDKO-UHFFFAOYSA-N 1 2 293.319 1.672 20 30 CDEDLO C=CC[N@H+](CC(=O)OCC)Cc1cc2c(cc1O)OCO2 ZINC000768754075 576305731 /nfs/dbraw/zinc/30/57/31/576305731.db2.gz GJDJEXNQUNUDKO-UHFFFAOYSA-N 1 2 293.319 1.672 20 30 CDEDLO COCC#CC[NH+]1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000759970074 576449292 /nfs/dbraw/zinc/44/92/92/576449292.db2.gz MIUNFOUSNUWUTP-UHFFFAOYSA-N 1 2 299.296 1.271 20 30 CDEDLO C[C@H](C#N)OC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000740986469 576529642 /nfs/dbraw/zinc/52/96/42/576529642.db2.gz CCAUHWPRFQQOGB-VXGBXAGGSA-N 1 2 258.321 1.888 20 30 CDEDLO C[C@H](C#N)OC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000740986469 576529645 /nfs/dbraw/zinc/52/96/45/576529645.db2.gz CCAUHWPRFQQOGB-VXGBXAGGSA-N 1 2 258.321 1.888 20 30 CDEDLO C=CCN1CC(=O)N(Cc2cn3cc(C)ccc3[nH+]2)C1=O ZINC000761129646 576553097 /nfs/dbraw/zinc/55/30/97/576553097.db2.gz WMOXINVHWLZHLX-UHFFFAOYSA-N 1 2 284.319 1.593 20 30 CDEDLO CO[C@H](C)C(C)N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761840163 576596858 /nfs/dbraw/zinc/59/68/58/576596858.db2.gz YSBSBGYMWXWNBI-SNVBAGLBSA-N 1 2 260.301 1.485 20 30 CDEDLO Cc1nc(C=NNc2ccc(-n3cc[nH+]c3)nn2)cs1 ZINC000761838731 576596876 /nfs/dbraw/zinc/59/68/76/576596876.db2.gz XZOZKRXIKXUBAC-UHFFFAOYSA-N 1 2 285.336 1.873 20 30 CDEDLO N#Cc1cccn(C[NH+]2CCC(c3ccncc3)CC2)c1=O ZINC000762095044 576619546 /nfs/dbraw/zinc/61/95/46/576619546.db2.gz BSMZRKMIKYGSRN-UHFFFAOYSA-N 1 2 294.358 1.952 20 30 CDEDLO Cc1nn(Cc2cc[nH+]c(N(C)C)c2)c(=O)c(C#N)c1C ZINC000762468999 576647045 /nfs/dbraw/zinc/64/70/45/576647045.db2.gz TUMYBLLIYRDOFZ-UHFFFAOYSA-N 1 2 283.335 1.241 20 30 CDEDLO C=CC[N@@H+](CCC(=O)N1CCC[C@@H]1C)CC(=O)OCC ZINC000743841273 576656849 /nfs/dbraw/zinc/65/68/49/576656849.db2.gz RMOUCXSUKXCEEP-ZDUSSCGKSA-N 1 2 282.384 1.439 20 30 CDEDLO C=CC[N@H+](CCC(=O)N1CCC[C@@H]1C)CC(=O)OCC ZINC000743841273 576656850 /nfs/dbraw/zinc/65/68/50/576656850.db2.gz RMOUCXSUKXCEEP-ZDUSSCGKSA-N 1 2 282.384 1.439 20 30 CDEDLO Cn1c(N=NCc2c[nH+]c[nH]2)nnc1-c1ccccc1 ZINC000755648537 576953695 /nfs/dbraw/zinc/95/36/95/576953695.db2.gz PCFVRRSOMBONQD-UHFFFAOYSA-N 1 2 267.296 1.651 20 30 CDEDLO Cn1c(N=NCc2c[nH]c[nH+]2)nnc1-c1ccccc1 ZINC000755648537 576953696 /nfs/dbraw/zinc/95/36/96/576953696.db2.gz PCFVRRSOMBONQD-UHFFFAOYSA-N 1 2 267.296 1.651 20 30 CDEDLO Cn1cc(C=NNc2cc[nH+]c3ccccc23)nn1 ZINC000755699790 576956233 /nfs/dbraw/zinc/95/62/33/576956233.db2.gz JXMSJCZQUJDZFM-UHFFFAOYSA-N 1 2 252.281 1.231 20 30 CDEDLO C=CCCOCC(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000755900877 576966704 /nfs/dbraw/zinc/96/67/04/576966704.db2.gz BWYPJHMETQZARY-UHFFFAOYSA-N 1 2 264.325 1.784 20 30 CDEDLO COC(=O)c1ccc(N[NH+]=Cc2cccnc2N)nc1 ZINC000758141234 577074868 /nfs/dbraw/zinc/07/48/68/577074868.db2.gz OAOIBRODJLNMTI-UHFFFAOYSA-N 1 2 271.280 1.291 20 30 CDEDLO C#CCNC(=S)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000758187563 577078525 /nfs/dbraw/zinc/07/85/25/577078525.db2.gz WZYGQICXLADLTF-UHFFFAOYSA-N 1 2 274.393 1.279 20 30 CDEDLO CC[N@H+](C[C@H]1CCCO1)Cn1cccc(C#N)c1=O ZINC000758196139 577080436 /nfs/dbraw/zinc/08/04/36/577080436.db2.gz ATZGKONZSKGTPQ-CYBMUJFWSA-N 1 2 261.325 1.178 20 30 CDEDLO CC[N@@H+](C[C@H]1CCCO1)Cn1cccc(C#N)c1=O ZINC000758196139 577080438 /nfs/dbraw/zinc/08/04/38/577080438.db2.gz ATZGKONZSKGTPQ-CYBMUJFWSA-N 1 2 261.325 1.178 20 30 CDEDLO CC[C@H](O)CN[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000811652785 617217327 /nfs/dbraw/zinc/21/73/27/617217327.db2.gz XOADRFOILXFBQV-LBPRGKRZSA-N 1 2 265.357 1.964 20 30 CDEDLO C#CC[N@H+](Cc1nc2ccccc2c(=O)n1CC#N)C(C)C ZINC000932396842 617239437 /nfs/dbraw/zinc/23/94/37/617239437.db2.gz UTZRDCNKJIWNRG-UHFFFAOYSA-N 1 2 294.358 1.764 20 30 CDEDLO C#CC[N@@H+](Cc1nc2ccccc2c(=O)n1CC#N)C(C)C ZINC000932396842 617239439 /nfs/dbraw/zinc/23/94/39/617239439.db2.gz UTZRDCNKJIWNRG-UHFFFAOYSA-N 1 2 294.358 1.764 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC000950343275 612991466 /nfs/dbraw/zinc/99/14/66/612991466.db2.gz OMDUEEHJRHXDJS-HOTGVXAUSA-N 1 2 292.423 1.604 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cnc(C)nc2C2CC2)CC1 ZINC000957509538 613011001 /nfs/dbraw/zinc/01/10/01/613011001.db2.gz XSUUQZWVKDNNQL-UHFFFAOYSA-N 1 2 298.390 1.444 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C=C3CCC3)CC2)C1 ZINC000949338156 613210115 /nfs/dbraw/zinc/21/01/15/613210115.db2.gz IVNHXWUQIWVUKZ-UHFFFAOYSA-N 1 2 288.391 1.423 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C=C3CCC3)CC2)C1 ZINC000949338156 613210116 /nfs/dbraw/zinc/21/01/16/613210116.db2.gz IVNHXWUQIWVUKZ-UHFFFAOYSA-N 1 2 288.391 1.423 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(C)CCC3)C2)C1 ZINC000972503326 613211744 /nfs/dbraw/zinc/21/17/44/613211744.db2.gz FBTXTFJFVWREQX-MRXNPFEDSA-N 1 2 276.380 1.113 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(C)CCC3)C2)C1 ZINC000972503326 613211746 /nfs/dbraw/zinc/21/17/46/613211746.db2.gz FBTXTFJFVWREQX-MRXNPFEDSA-N 1 2 276.380 1.113 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC000950915382 613294954 /nfs/dbraw/zinc/29/49/54/613294954.db2.gz DZAUQCXTBBHJRC-CWRNSKLLSA-N 1 2 292.423 1.910 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccnc(C)n2)CC1 ZINC000957688472 613321349 /nfs/dbraw/zinc/32/13/49/613321349.db2.gz 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/nfs/dbraw/zinc/37/81/33/613378133.db2.gz GEJDLHDSTAWDDH-JOYOIKCWSA-N 1 2 282.775 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC000965344204 613378134 /nfs/dbraw/zinc/37/81/34/613378134.db2.gz GEJDLHDSTAWDDH-JOYOIKCWSA-N 1 2 282.775 1.602 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H]2CCC[C@H](OC)C2)CC1 ZINC000948694954 613563026 /nfs/dbraw/zinc/56/30/26/613563026.db2.gz XQKWKYONMHIRKI-HOTGVXAUSA-N 1 2 292.423 1.749 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2ccccc2OC)CC1 ZINC000957566509 613564028 /nfs/dbraw/zinc/56/40/28/613564028.db2.gz FVWSNNOSPFVCNS-UHFFFAOYSA-N 1 2 286.375 1.405 20 30 CDEDLO CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCCN2C)C(C)(C)C1 ZINC000974734152 613621557 /nfs/dbraw/zinc/62/15/57/613621557.db2.gz VLUANZGUKTTWPT-GJZGRUSLSA-N 1 2 291.439 1.321 20 30 CDEDLO CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCCN2C)C(C)(C)C1 ZINC000974734152 613621561 /nfs/dbraw/zinc/62/15/61/613621561.db2.gz VLUANZGUKTTWPT-GJZGRUSLSA-N 1 2 291.439 1.321 20 30 CDEDLO CC#CCN1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000974734152 613621564 /nfs/dbraw/zinc/62/15/64/613621564.db2.gz VLUANZGUKTTWPT-GJZGRUSLSA-N 1 2 291.439 1.321 20 30 CDEDLO CC#CCN1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000974734152 613621568 /nfs/dbraw/zinc/62/15/68/613621568.db2.gz VLUANZGUKTTWPT-GJZGRUSLSA-N 1 2 291.439 1.321 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cc[nH]c2CC)C1 ZINC000950014726 613656966 /nfs/dbraw/zinc/65/69/66/613656966.db2.gz XUHLBCPFDIUMAH-UHFFFAOYSA-N 1 2 261.369 1.909 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2cncc(F)c2)CC1 ZINC000957936962 613707917 /nfs/dbraw/zinc/70/79/17/613707917.db2.gz HKHJRGMWQKQBOV-UHFFFAOYSA-N 1 2 277.343 1.484 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000949406027 613709498 /nfs/dbraw/zinc/70/94/98/613709498.db2.gz GKSDHYAKGKKHMG-HUUCEWRRSA-N 1 2 278.396 1.664 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CC23CCOCC3)CC1 ZINC000957954291 613710566 /nfs/dbraw/zinc/71/05/66/613710566.db2.gz BZMLSBRWHAOKEJ-ZDUSSCGKSA-N 1 2 264.369 1.133 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H](OC)C2)CC1 ZINC000949935739 613712792 /nfs/dbraw/zinc/71/27/92/613712792.db2.gz WQMMGPYDDUWKBT-UONOGXRCSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c(Cl)n[nH]c2CC)CC1 ZINC000948712898 613713990 /nfs/dbraw/zinc/71/39/90/613713990.db2.gz VQYMGBYKSCBEQC-UHFFFAOYSA-N 1 2 282.775 1.569 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(CC)c[nH]c2=O)CC1 ZINC000956961450 613715303 /nfs/dbraw/zinc/71/53/03/613715303.db2.gz YUOHEQAGNIXIPI-UHFFFAOYSA-N 1 2 275.352 1.293 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cn(C)nc2C(C)C)CC1 ZINC000957642048 613717674 /nfs/dbraw/zinc/71/76/74/613717674.db2.gz PARQCLUPSAMGDW-UHFFFAOYSA-N 1 2 276.384 1.487 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccns3)C2)C1 ZINC000972402981 613724187 /nfs/dbraw/zinc/72/41/87/613724187.db2.gz YVSAVKRFAAIKNX-AWEZNQCLSA-N 1 2 293.392 1.246 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccns3)C2)C1 ZINC000972402981 613724188 /nfs/dbraw/zinc/72/41/88/613724188.db2.gz YVSAVKRFAAIKNX-AWEZNQCLSA-N 1 2 293.392 1.246 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(C(C)C)CC3)C2)C1 ZINC000972544885 613725518 /nfs/dbraw/zinc/72/55/18/613725518.db2.gz XEHYKMJQSXLEEM-MRXNPFEDSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(C(C)C)CC3)C2)C1 ZINC000972544885 613725522 /nfs/dbraw/zinc/72/55/22/613725522.db2.gz XEHYKMJQSXLEEM-MRXNPFEDSA-N 1 2 292.423 1.912 20 30 CDEDLO CC(C)N(C)C(=O)[C@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000842019774 620862240 /nfs/dbraw/zinc/86/22/40/620862240.db2.gz XIWLUCZNAIRVSQ-JTQLQIEISA-N 1 2 281.331 1.718 20 30 CDEDLO C=CCONC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000897922497 621227498 /nfs/dbraw/zinc/22/74/98/621227498.db2.gz UTGLUXKBFPHKRJ-NSHDSACASA-N 1 2 250.302 1.024 20 30 CDEDLO C=CCONC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897922497 621227502 /nfs/dbraw/zinc/22/75/02/621227502.db2.gz UTGLUXKBFPHKRJ-NSHDSACASA-N 1 2 250.302 1.024 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927076207 621685383 /nfs/dbraw/zinc/68/53/83/621685383.db2.gz FFUWYUFKNMCFOA-ZDUSSCGKSA-N 1 2 287.363 1.523 20 30 CDEDLO COc1c(C#N)ccc(=O)n1CCCc1c[nH+]cn1C ZINC000902403575 624769611 /nfs/dbraw/zinc/76/96/11/624769611.db2.gz CGCDOBUZPOYQCQ-UHFFFAOYSA-N 1 2 272.308 1.095 20 30 CDEDLO C#CC[N@H+](CN1C(=O)C(C)(C)[C@@H]1[C@@H]1CCCO1)C(C)C ZINC000905749121 626944588 /nfs/dbraw/zinc/94/45/88/626944588.db2.gz MOLPHNNZYBXKSN-KBPBESRZSA-N 1 2 278.396 1.704 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)C(C)(C)[C@@H]1[C@@H]1CCCO1)C(C)C ZINC000905749121 626944590 /nfs/dbraw/zinc/94/45/90/626944590.db2.gz MOLPHNNZYBXKSN-KBPBESRZSA-N 1 2 278.396 1.704 20 30 CDEDLO C=C1CCC(C(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)CC1 ZINC000913473951 630498776 /nfs/dbraw/zinc/49/87/76/630498776.db2.gz GHJZFWHRQWUOAG-OAHLLOKOSA-N 1 2 288.395 1.639 20 30 CDEDLO CC1(C)C[N@H+](CCNC(=O)N2CCC[C@H](C#N)C2)CCO1 ZINC000915854451 631838930 /nfs/dbraw/zinc/83/89/30/631838930.db2.gz 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1162421789 /nfs/dbraw/zinc/42/17/89/1162421789.db2.gz AXKHACSILPOTDX-UHFFFAOYSA-N 1 2 269.304 1.993 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2cscn2)CC1 ZINC000805451755 1162574345 /nfs/dbraw/zinc/57/43/45/1162574345.db2.gz DGGAGHCFERWRMB-UHFFFAOYSA-N 1 2 292.360 1.214 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2ccc3[nH]nnc3c2)[C@H]1CC ZINC001087825277 1160269059 /nfs/dbraw/zinc/26/90/59/1160269059.db2.gz YCUVOFGLFCKLQE-DZGCQCFKSA-N 1 2 297.362 1.174 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3[nH]nnc3c2)[C@H]1CC ZINC001087825277 1160269061 /nfs/dbraw/zinc/26/90/61/1160269061.db2.gz YCUVOFGLFCKLQE-DZGCQCFKSA-N 1 2 297.362 1.174 20 30 CDEDLO CC(C)C[N@H+](CCC#N)C[C@H]1CCS(=O)(=O)C1 ZINC000789292420 1162083107 /nfs/dbraw/zinc/08/31/07/1162083107.db2.gz CFBNMGOADMJRDZ-GFCCVEGCSA-N 1 2 258.387 1.293 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)C[C@H]1CCS(=O)(=O)C1 ZINC000789292420 1162083110 /nfs/dbraw/zinc/08/31/10/1162083110.db2.gz CFBNMGOADMJRDZ-GFCCVEGCSA-N 1 2 258.387 1.293 20 30 CDEDLO C[C@@H](Nc1ccc(C#N)nc1)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001113083342 1162095760 /nfs/dbraw/zinc/09/57/60/1162095760.db2.gz YTGJWYIWYUPPJR-NEPJUHHUSA-N 1 2 298.350 1.155 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1c2ccccc2O[C@@H]1C ZINC000811545213 1163495622 /nfs/dbraw/zinc/49/56/22/1163495622.db2.gz XSWINFIJSGQREI-INWMFGNUSA-N 1 2 284.359 1.722 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1c2ccccc2O[C@@H]1C ZINC000811545213 1163495626 /nfs/dbraw/zinc/49/56/26/1163495626.db2.gz XSWINFIJSGQREI-INWMFGNUSA-N 1 2 284.359 1.722 20 30 CDEDLO COCCCO[NH+]=Cc1cnc(N2CCOCC2)s1 ZINC000795051046 1165027001 /nfs/dbraw/zinc/02/70/01/1165027001.db2.gz LOMMMOQHRDTTMK-UHFFFAOYSA-N 1 2 285.369 1.367 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](CC=C(Cl)Cl)C[C@H]1C ZINC001206659758 1167286091 /nfs/dbraw/zinc/28/60/91/1167286091.db2.gz QFVBTTCSKCKLTM-IVZWLZJFSA-N 1 2 290.194 1.902 20 30 CDEDLO Cn1c[nH+]cc1C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001647012818 1168347730 /nfs/dbraw/zinc/34/77/30/1168347730.db2.gz 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/nfs/dbraw/zinc/52/55/32/1184525532.db2.gz YEYSATSKNWLQRB-UHFFFAOYSA-N 1 2 290.363 1.451 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)CC[C@@H](C)CC)C1 ZINC001753654344 1185289368 /nfs/dbraw/zinc/28/93/68/1185289368.db2.gz UEXWCMPACBOLEQ-KBPBESRZSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)CC[C@@H](C)CC)C1 ZINC001753654344 1185289375 /nfs/dbraw/zinc/28/93/75/1185289375.db2.gz UEXWCMPACBOLEQ-KBPBESRZSA-N 1 2 268.401 1.816 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](CCC)OCC ZINC001754492039 1185640835 /nfs/dbraw/zinc/64/08/35/1185640835.db2.gz UMPPSNFTMYTBDO-QWHCGFSZSA-N 1 2 252.358 1.015 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](CCC)OCC ZINC001754492039 1185640837 /nfs/dbraw/zinc/64/08/37/1185640837.db2.gz UMPPSNFTMYTBDO-QWHCGFSZSA-N 1 2 252.358 1.015 20 30 CDEDLO CC(C)(C)C#CC(=O)NCC1([NH2+]Cc2ccon2)CC1 ZINC001754514225 1185653611 /nfs/dbraw/zinc/65/36/11/1185653611.db2.gz VMHUNMNOELMTJT-UHFFFAOYSA-N 1 2 275.352 1.463 20 30 CDEDLO C=CCCCC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccon2)C1 ZINC001754754865 1185724853 /nfs/dbraw/zinc/72/48/53/1185724853.db2.gz QEADUCACOZLWGQ-HNNXBMFYSA-N 1 2 293.367 1.084 20 30 CDEDLO C=CCCCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccon2)C1 ZINC001754754865 1185724859 /nfs/dbraw/zinc/72/48/59/1185724859.db2.gz QEADUCACOZLWGQ-HNNXBMFYSA-N 1 2 293.367 1.084 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N(C)CCC[N@H+](C)Cc1cnon1 ZINC001755042095 1185796927 /nfs/dbraw/zinc/79/69/27/1185796927.db2.gz UAUNOGSMGKLDQH-OAHLLOKOSA-N 1 2 294.399 1.952 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N(C)CCC[N@@H+](C)Cc1cnon1 ZINC001755042095 1185796929 /nfs/dbraw/zinc/79/69/29/1185796929.db2.gz UAUNOGSMGKLDQH-OAHLLOKOSA-N 1 2 294.399 1.952 20 30 CDEDLO C=CCCC(=O)N1CCOC2(C[NH+](CCCCOC)C2)C1 ZINC001755048706 1185800077 /nfs/dbraw/zinc/80/00/77/1185800077.db2.gz GFUVGUIIHNFOQX-UHFFFAOYSA-N 1 2 296.411 1.292 20 30 CDEDLO C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC001755363894 1185928754 /nfs/dbraw/zinc/92/87/54/1185928754.db2.gz OQWZYVSGGUCRAF-GHMZBOCLSA-N 1 2 294.292 1.881 20 30 CDEDLO C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC001755363894 1185928761 /nfs/dbraw/zinc/92/87/61/1185928761.db2.gz OQWZYVSGGUCRAF-GHMZBOCLSA-N 1 2 294.292 1.881 20 30 CDEDLO C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC001755363894 1185928764 /nfs/dbraw/zinc/92/87/64/1185928764.db2.gz OQWZYVSGGUCRAF-GHMZBOCLSA-N 1 2 294.292 1.881 20 30 CDEDLO C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC001755363894 1185928767 /nfs/dbraw/zinc/92/87/67/1185928767.db2.gz OQWZYVSGGUCRAF-GHMZBOCLSA-N 1 2 294.292 1.881 20 30 CDEDLO C=CC[NH+]1CCN(c2ncc(OC)cc2[N+](=O)[O-])CC1 ZINC001165031334 721866532 /nfs/dbraw/zinc/86/65/32/721866532.db2.gz DTKSMEFYJRTBSD-UHFFFAOYSA-N 1 2 278.312 1.306 20 30 CDEDLO Cc1cc2c(nc[nH+]c2N2CCN(CCC#N)CC2)[nH]1 ZINC001165056532 722022778 /nfs/dbraw/zinc/02/27/78/722022778.db2.gz ZIPFPHBHFHGCFL-UHFFFAOYSA-N 1 2 270.340 1.302 20 30 CDEDLO Cn1nccc1C(=O)/C=C\c1ncc(C[NH+](C)C)s1 ZINC000794714462 1164574685 /nfs/dbraw/zinc/57/46/85/1164574685.db2.gz QQMJBNFZLITQRV-PLNGDYQASA-N 1 2 276.365 1.834 20 30 CDEDLO CCOC(=O)C1([NH2+]CCO[C@H](C)C#N)CCCC1 ZINC001321299904 959702464 /nfs/dbraw/zinc/70/24/64/959702464.db2.gz XCURIQBEGATRQY-LLVKDONJSA-N 1 2 254.330 1.381 20 30 CDEDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@@H]21 ZINC000794971436 1164844227 /nfs/dbraw/zinc/84/42/27/1164844227.db2.gz QSLMFHRCKVPIAN-WDNDVIMCSA-N 1 2 274.295 1.548 20 30 CDEDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@@H]21 ZINC000794971436 1164844231 /nfs/dbraw/zinc/84/42/31/1164844231.db2.gz QSLMFHRCKVPIAN-WDNDVIMCSA-N 1 2 274.295 1.548 20 30 CDEDLO C=CCCCCNC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875501900 1165732032 /nfs/dbraw/zinc/73/20/32/1165732032.db2.gz HCZQKCWOOBQLLX-CQSZACIVSA-N 1 2 283.416 1.753 20 30 CDEDLO C=CCCCCNC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875501900 1165732040 /nfs/dbraw/zinc/73/20/40/1165732040.db2.gz HCZQKCWOOBQLLX-CQSZACIVSA-N 1 2 283.416 1.753 20 30 CDEDLO C[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2O)[C@H]1CO ZINC001232674043 912382758 /nfs/dbraw/zinc/38/27/58/912382758.db2.gz QOFMMFGAEQHMQM-FZMZJTMJSA-N 1 2 260.337 1.857 20 30 CDEDLO C[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2O)[C@H]1CO ZINC001232674043 912382774 /nfs/dbraw/zinc/38/27/74/912382774.db2.gz QOFMMFGAEQHMQM-FZMZJTMJSA-N 1 2 260.337 1.857 20 30 CDEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2n[nH]c3ccccc32)[C@H]1C ZINC001089018138 912480354 /nfs/dbraw/zinc/48/03/54/912480354.db2.gz RFSOBMZDLBQVFK-YPMHNXCESA-N 1 2 284.363 1.942 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2n[nH]c3ccccc32)[C@H]1C ZINC001089018138 912480363 /nfs/dbraw/zinc/48/03/63/912480363.db2.gz RFSOBMZDLBQVFK-YPMHNXCESA-N 1 2 284.363 1.942 20 30 CDEDLO C#CCCCNC(=O)NCCCCNc1cccc[nH+]1 ZINC000174126093 912533493 /nfs/dbraw/zinc/53/34/93/912533493.db2.gz TZEXZQSOEZUCAE-UHFFFAOYSA-N 1 2 274.368 1.986 20 30 CDEDLO CCOC(=O)[C@@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H](C)O ZINC001173586132 912635140 /nfs/dbraw/zinc/63/51/40/912635140.db2.gz IUFBLBDCODQUDC-JJMZSNKZSA-N 1 2 268.357 1.361 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001030753957 912681164 /nfs/dbraw/zinc/68/11/64/912681164.db2.gz YTFRDYNUPVYLRK-UHFFFAOYSA-N 1 2 294.358 1.310 20 30 CDEDLO C#Cc1cc(Nc2cc(OC)nnc2OC)cc[nH+]1 ZINC001174350549 913110981 /nfs/dbraw/zinc/11/09/81/913110981.db2.gz JTCUHHTZRMBUPA-UHFFFAOYSA-N 1 2 256.265 1.036 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C(C)C)nc2C)C1 ZINC001030970721 913308035 /nfs/dbraw/zinc/30/80/35/913308035.db2.gz FPJHPWTUBDEWLF-UHFFFAOYSA-N 1 2 285.391 1.951 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001030999465 913359548 /nfs/dbraw/zinc/35/95/48/913359548.db2.gz QMRQONOODIZVEU-UHFFFAOYSA-N 1 2 282.265 1.541 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](OCC)C(C)C ZINC001234234671 913380830 /nfs/dbraw/zinc/38/08/30/913380830.db2.gz JZOIWHWJGQEPTC-KGLIPLIRSA-N 1 2 266.385 1.213 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](OCC)C(C)C ZINC001234234671 913380843 /nfs/dbraw/zinc/38/08/43/913380843.db2.gz JZOIWHWJGQEPTC-KGLIPLIRSA-N 1 2 266.385 1.213 20 30 CDEDLO C[N@@H+]1CCCn2nc(C(=O)Nc3cccc(C#N)n3)cc2C1 ZINC001175047931 913442225 /nfs/dbraw/zinc/44/22/25/913442225.db2.gz PHIBNDJZVGKBCG-UHFFFAOYSA-N 1 2 296.334 1.238 20 30 CDEDLO C[N@H+]1CCCn2nc(C(=O)Nc3cccc(C#N)n3)cc2C1 ZINC001175047931 913442230 /nfs/dbraw/zinc/44/22/30/913442230.db2.gz PHIBNDJZVGKBCG-UHFFFAOYSA-N 1 2 296.334 1.238 20 30 CDEDLO CC#CC[NH2+]CCCC[C@H](C)NC(=O)c1[nH]ncc1F ZINC001175126010 913470247 /nfs/dbraw/zinc/47/02/47/913470247.db2.gz WMOJSENGLKCNPJ-NSHDSACASA-N 1 2 280.347 1.450 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)nc2onc(C)c21 ZINC001038573690 913657653 /nfs/dbraw/zinc/65/76/53/913657653.db2.gz DQMKJCCKLGBILV-GFCCVEGCSA-N 1 2 298.346 1.277 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)nc2onc(C)c21 ZINC001038573690 913657662 /nfs/dbraw/zinc/65/76/62/913657662.db2.gz DQMKJCCKLGBILV-GFCCVEGCSA-N 1 2 298.346 1.277 20 30 CDEDLO C=C(C)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO ZINC000216574247 893968493 /nfs/dbraw/zinc/96/84/93/893968493.db2.gz CGJMMCUXKDDMOZ-LBPRGKRZSA-N 1 2 270.373 1.476 20 30 CDEDLO C=C(C)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO ZINC000216574247 893968495 /nfs/dbraw/zinc/96/84/95/893968495.db2.gz CGJMMCUXKDDMOZ-LBPRGKRZSA-N 1 2 270.373 1.476 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@]1(C)CCOC1 ZINC001266342450 894453951 /nfs/dbraw/zinc/45/39/51/894453951.db2.gz PARLSUDUGAWDEC-LBPRGKRZSA-N 1 2 260.765 1.214 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@]1(C)CCOC1 ZINC001266342450 894453959 /nfs/dbraw/zinc/45/39/59/894453959.db2.gz PARLSUDUGAWDEC-LBPRGKRZSA-N 1 2 260.765 1.214 20 30 CDEDLO C=CCO[C@H](C)C(=O)N[C@@H](C)CCNc1cc[nH+]c(C)n1 ZINC001106368753 913887835 /nfs/dbraw/zinc/88/78/35/913887835.db2.gz WOTSOSLZGIGCNV-NWDGAFQWSA-N 1 2 292.383 1.683 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CC12CC2 ZINC001266417605 894774992 /nfs/dbraw/zinc/77/49/92/894774992.db2.gz DTDVEKGPJFBTGE-NSHDSACASA-N 1 2 256.777 1.977 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CC12CC2 ZINC001266417605 894775002 /nfs/dbraw/zinc/77/50/02/894775002.db2.gz DTDVEKGPJFBTGE-NSHDSACASA-N 1 2 256.777 1.977 20 30 CDEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)co1 ZINC000971210473 895791073 /nfs/dbraw/zinc/79/10/73/895791073.db2.gz HQPFNKCJWYQPBO-GXFFZTMASA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1nc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)co1 ZINC000971210473 895791085 /nfs/dbraw/zinc/79/10/85/895791085.db2.gz HQPFNKCJWYQPBO-GXFFZTMASA-N 1 2 276.340 1.175 20 30 CDEDLO CCc1nc(C#N)cc(NCc2cc[nH+]c(N)c2)n1 ZINC001167616965 897059635 /nfs/dbraw/zinc/05/96/35/897059635.db2.gz IFVWPBUXDODZHJ-UHFFFAOYSA-N 1 2 254.297 1.500 20 30 CDEDLO C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2cncc3nc[nH]c32)C1 ZINC001023385877 897540064 /nfs/dbraw/zinc/54/00/64/897540064.db2.gz ZMNBQODTALWEKN-LBPRGKRZSA-N 1 2 299.378 1.586 20 30 CDEDLO C=CC[N@H+]1CCC[C@@H](CNC(=O)c2cncc3nc[nH]c32)C1 ZINC001023385877 897540076 /nfs/dbraw/zinc/54/00/76/897540076.db2.gz ZMNBQODTALWEKN-LBPRGKRZSA-N 1 2 299.378 1.586 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn[nH]1 ZINC001024346484 898044579 /nfs/dbraw/zinc/04/45/79/898044579.db2.gz NAMMLINNSUHRRY-NSHDSACASA-N 1 2 282.775 1.747 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccn[nH]1 ZINC001024346484 898044593 /nfs/dbraw/zinc/04/45/93/898044593.db2.gz NAMMLINNSUHRRY-NSHDSACASA-N 1 2 282.775 1.747 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn(CC(C)C)n1 ZINC001038310519 898211365 /nfs/dbraw/zinc/21/13/65/898211365.db2.gz LGAQZJJQMWMZGS-AWEZNQCLSA-N 1 2 288.395 1.367 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccn(CC(C)C)n1 ZINC001038310519 898211381 /nfs/dbraw/zinc/21/13/81/898211381.db2.gz LGAQZJJQMWMZGS-AWEZNQCLSA-N 1 2 288.395 1.367 20 30 CDEDLO C#CCCOc1ccc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)cc1 ZINC000249390957 898538072 /nfs/dbraw/zinc/53/80/72/898538072.db2.gz RXWNYMBRUSYWMH-YOEHRIQHSA-N 1 2 289.375 1.670 20 30 CDEDLO C#CCCOc1ccc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)cc1 ZINC000249390957 898538084 /nfs/dbraw/zinc/53/80/84/898538084.db2.gz RXWNYMBRUSYWMH-YOEHRIQHSA-N 1 2 289.375 1.670 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2scnc2CC)[C@@H]1C ZINC000993404731 914301355 /nfs/dbraw/zinc/30/13/55/914301355.db2.gz YYQMDHRGPSVFPU-AAEUAGOBSA-N 1 2 291.420 1.921 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2scnc2CC)[C@@H]1C ZINC000993404731 914301372 /nfs/dbraw/zinc/30/13/72/914301372.db2.gz YYQMDHRGPSVFPU-AAEUAGOBSA-N 1 2 291.420 1.921 20 30 CDEDLO CC1(C)CC(=O)C=C(NC(=O)CCn2cc[nH+]c2)C1 ZINC001176884070 914335001 /nfs/dbraw/zinc/33/50/01/914335001.db2.gz SZLXOPOUKRONPY-UHFFFAOYSA-N 1 2 261.325 1.662 20 30 CDEDLO CC#CC[N@H+](C)Cc1cnc(C2OCCO2)s1 ZINC000294954225 899336846 /nfs/dbraw/zinc/33/68/46/899336846.db2.gz BCIQLCWCLQIMFR-UHFFFAOYSA-N 1 2 252.339 1.644 20 30 CDEDLO CC#CC[N@@H+](C)Cc1cnc(C2OCCO2)s1 ZINC000294954225 899336864 /nfs/dbraw/zinc/33/68/64/899336864.db2.gz BCIQLCWCLQIMFR-UHFFFAOYSA-N 1 2 252.339 1.644 20 30 CDEDLO NC(Cc1cccnc1)=[NH+]OCc1ccc(CO)cc1 ZINC000180406602 899488989 /nfs/dbraw/zinc/48/89/89/899488989.db2.gz WSSTXTXEUOULAS-UHFFFAOYSA-N 1 2 271.320 1.605 20 30 CDEDLO N#Cc1n[nH]cc1NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176957948 914401184 /nfs/dbraw/zinc/40/11/84/914401184.db2.gz SESYMSLFQNAWAK-NSHDSACASA-N 1 2 296.334 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001027833359 900867365 /nfs/dbraw/zinc/86/73/65/900867365.db2.gz MZGIWQKYRTWSAX-GFCCVEGCSA-N 1 2 292.770 1.833 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001027833359 900867372 /nfs/dbraw/zinc/86/73/72/900867372.db2.gz MZGIWQKYRTWSAX-GFCCVEGCSA-N 1 2 292.770 1.833 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(OC)c(C)c1 ZINC001038815815 900959962 /nfs/dbraw/zinc/95/99/62/900959962.db2.gz MVBPDORYWBICCE-HNNXBMFYSA-N 1 2 286.375 1.831 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OC)c(C)c1 ZINC001038815815 900959975 /nfs/dbraw/zinc/95/99/75/900959975.db2.gz MVBPDORYWBICCE-HNNXBMFYSA-N 1 2 286.375 1.831 20 30 CDEDLO O=C(C(F)F)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000980590598 901045010 /nfs/dbraw/zinc/04/50/10/901045010.db2.gz HOVYMBCCXAPRKO-UHFFFAOYSA-N 1 2 292.329 1.838 20 30 CDEDLO O=C(C(F)F)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000980590598 901045015 /nfs/dbraw/zinc/04/50/15/901045015.db2.gz HOVYMBCCXAPRKO-UHFFFAOYSA-N 1 2 292.329 1.838 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccnnc1C ZINC001028000498 901138669 /nfs/dbraw/zinc/13/86/69/901138669.db2.gz GMNBLMLUGSMJOY-LBPRGKRZSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccnnc1C ZINC001028000498 901138674 /nfs/dbraw/zinc/13/86/74/901138674.db2.gz GMNBLMLUGSMJOY-LBPRGKRZSA-N 1 2 294.786 1.732 20 30 CDEDLO Cc1cc(C[N@@H+]2CCCN(C(=O)C#CC3CC3)CC2)ncn1 ZINC000981126457 901177416 /nfs/dbraw/zinc/17/74/16/901177416.db2.gz WOAVSRUDTGXIHP-UHFFFAOYSA-N 1 2 298.390 1.233 20 30 CDEDLO Cc1cc(C[N@H+]2CCCN(C(=O)C#CC3CC3)CC2)ncn1 ZINC000981126457 901177423 /nfs/dbraw/zinc/17/74/23/901177423.db2.gz WOAVSRUDTGXIHP-UHFFFAOYSA-N 1 2 298.390 1.233 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ncoc3C)[C@@H]2C1 ZINC001075597528 901233897 /nfs/dbraw/zinc/23/38/97/901233897.db2.gz ROVIMEARAKKRSH-NWDGAFQWSA-N 1 2 295.770 1.882 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ncoc3C)[C@@H]2C1 ZINC001075597528 901233903 /nfs/dbraw/zinc/23/39/03/901233903.db2.gz ROVIMEARAKKRSH-NWDGAFQWSA-N 1 2 295.770 1.882 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1nc(C)c[nH]1 ZINC001028193618 901528628 /nfs/dbraw/zinc/52/86/28/901528628.db2.gz WXYVLMINYPTVLZ-LLVKDONJSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(C)c[nH]1 ZINC001028193618 901528638 /nfs/dbraw/zinc/52/86/38/901528638.db2.gz WXYVLMINYPTVLZ-LLVKDONJSA-N 1 2 282.775 1.665 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(OC)c(OC)c1 ZINC001038982264 901947547 /nfs/dbraw/zinc/94/75/47/901947547.db2.gz NUVKYQHVUNFETJ-ZDUSSCGKSA-N 1 2 288.347 1.141 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OC)c(OC)c1 ZINC001038982264 901947558 /nfs/dbraw/zinc/94/75/58/901947558.db2.gz NUVKYQHVUNFETJ-ZDUSSCGKSA-N 1 2 288.347 1.141 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCCC[C@@H]2OC)C1 ZINC001031465669 914655948 /nfs/dbraw/zinc/65/59/48/914655948.db2.gz LITNFFMSZZKDNM-KBPBESRZSA-N 1 2 264.369 1.015 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001031461344 914656077 /nfs/dbraw/zinc/65/60/77/914656077.db2.gz CALQICDSHUAUQW-OPTZYUCBSA-N 1 2 260.381 1.655 20 30 CDEDLO Cc1ccccc1C(N)=[NH+]OCC(=O)N(C)C1CC1 ZINC000049065710 905136817 /nfs/dbraw/zinc/13/68/17/905136817.db2.gz ONISDHOEQUJFQW-UHFFFAOYSA-N 1 2 261.325 1.253 20 30 CDEDLO Cc1nc(C#N)c(C#N)nc1N(C(N)=[NH2+])c1ccc(F)cc1 ZINC001167992288 905148102 /nfs/dbraw/zinc/14/81/02/905148102.db2.gz NXHHOAPUUBQLPT-UHFFFAOYSA-N 1 2 295.281 1.699 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)C[C@@H]2C1 ZINC001087973251 906071790 /nfs/dbraw/zinc/07/17/90/906071790.db2.gz QLDPZMFLKREZGG-VWYCJHECSA-N 1 2 292.276 1.300 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)C[C@@H]2C1 ZINC001087973251 906071802 /nfs/dbraw/zinc/07/18/02/906071802.db2.gz QLDPZMFLKREZGG-VWYCJHECSA-N 1 2 292.276 1.300 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](F)C(F)(F)F)C[C@@H]2C1 ZINC001087973251 906071813 /nfs/dbraw/zinc/07/18/13/906071813.db2.gz QLDPZMFLKREZGG-VWYCJHECSA-N 1 2 292.276 1.300 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](F)C(F)(F)F)C[C@@H]2C1 ZINC001087973251 906071826 /nfs/dbraw/zinc/07/18/26/906071826.db2.gz QLDPZMFLKREZGG-VWYCJHECSA-N 1 2 292.276 1.300 20 30 CDEDLO CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001089980317 921213772 /nfs/dbraw/zinc/21/37/72/921213772.db2.gz LJLMSCLHOOPNJU-LSDHHAIUSA-N 1 2 287.363 1.020 20 30 CDEDLO CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001089980317 921213780 /nfs/dbraw/zinc/21/37/80/921213780.db2.gz LJLMSCLHOOPNJU-LSDHHAIUSA-N 1 2 287.363 1.020 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001128404795 921295844 /nfs/dbraw/zinc/29/58/44/921295844.db2.gz DPEBYCICSHUELQ-UHFFFAOYSA-N 1 2 251.330 1.545 20 30 CDEDLO C=CC(C)(C)C(=O)NCc1cnn2c1C[N@H+](CCC)CC2 ZINC001128437099 921303540 /nfs/dbraw/zinc/30/35/40/921303540.db2.gz GRZBRSDLKYTSEG-UHFFFAOYSA-N 1 2 290.411 1.937 20 30 CDEDLO C=CC(C)(C)C(=O)NCc1cnn2c1C[N@@H+](CCC)CC2 ZINC001128437099 921303541 /nfs/dbraw/zinc/30/35/41/921303541.db2.gz GRZBRSDLKYTSEG-UHFFFAOYSA-N 1 2 290.411 1.937 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc(COC)cs1 ZINC001038468911 907537070 /nfs/dbraw/zinc/53/70/70/907537070.db2.gz RXOIADPVPOMYIN-LBPRGKRZSA-N 1 2 280.393 1.885 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(COC)cs1 ZINC001038468911 907537075 /nfs/dbraw/zinc/53/70/75/907537075.db2.gz RXOIADPVPOMYIN-LBPRGKRZSA-N 1 2 280.393 1.885 20 30 CDEDLO Cc1ccc2[nH+]cc(CN3CCOC[C@H]3C#N)n2c1 ZINC000093457150 908189473 /nfs/dbraw/zinc/18/94/73/908189473.db2.gz HORLCNCQLRURMB-GFCCVEGCSA-N 1 2 256.309 1.367 20 30 CDEDLO COc1ccc(C(N)=[NH+]O[C@H](C)c2noc(C)n2)cc1 ZINC000842020881 908873304 /nfs/dbraw/zinc/87/33/04/908873304.db2.gz HKHAZEUFYNIYTA-MRVPVSSYSA-N 1 2 276.296 1.785 20 30 CDEDLO C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2cnn[nH]2)C1 ZINC000989460322 908894152 /nfs/dbraw/zinc/89/41/52/908894152.db2.gz APLUIPDOLCHYLF-CMPLNLGQSA-N 1 2 297.790 1.069 20 30 CDEDLO C#CC[N@@H+]1CC[C@@]2(NC(=O)c3[nH]nc(C)c3C)CCC[C@H]12 ZINC000990056734 909106668 /nfs/dbraw/zinc/10/66/68/909106668.db2.gz RMLXONXONZWCCY-BBRMVZONSA-N 1 2 286.379 1.387 20 30 CDEDLO C#CC[N@H+]1CC[C@@]2(NC(=O)c3[nH]nc(C)c3C)CCC[C@H]12 ZINC000990056734 909106675 /nfs/dbraw/zinc/10/66/75/909106675.db2.gz RMLXONXONZWCCY-BBRMVZONSA-N 1 2 286.379 1.387 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(CC)n[nH]2)C1 ZINC001032918535 921494066 /nfs/dbraw/zinc/49/40/66/921494066.db2.gz FUMPSJAILBDGCB-GFCCVEGCSA-N 1 2 296.802 1.871 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(CC)n[nH]2)C1 ZINC001032918535 921494074 /nfs/dbraw/zinc/49/40/74/921494074.db2.gz FUMPSJAILBDGCB-GFCCVEGCSA-N 1 2 296.802 1.871 20 30 CDEDLO N#CCN1C[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC001076033095 909779000 /nfs/dbraw/zinc/77/90/00/909779000.db2.gz FRGKFDZZFSICDR-GXTWGEPZSA-N 1 2 295.346 1.004 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3oncc3C)[C@@H]2C1 ZINC001076421978 909861732 /nfs/dbraw/zinc/86/17/32/909861732.db2.gz RFCKADOUTLAGBK-NWDGAFQWSA-N 1 2 295.770 1.882 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3oncc3C)[C@@H]2C1 ZINC001076421978 909861743 /nfs/dbraw/zinc/86/17/43/909861743.db2.gz RFCKADOUTLAGBK-NWDGAFQWSA-N 1 2 295.770 1.882 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C(C)C)CC2)C1 ZINC001093506779 909874825 /nfs/dbraw/zinc/87/48/25/909874825.db2.gz IGAIUXXNBJIYGB-UHFFFAOYSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@H]3C[C@H]3C)CC2)C1 ZINC001093567896 909967574 /nfs/dbraw/zinc/96/75/74/909967574.db2.gz ABYOBJJVVKOXGR-ZIAGYGMSSA-N 1 2 292.423 1.910 20 30 CDEDLO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1ncc(Cl)s1 ZINC001038511279 910290328 /nfs/dbraw/zinc/29/03/28/910290328.db2.gz UKDMMDVQZRSMHV-SECBINFHSA-N 1 2 283.784 1.624 20 30 CDEDLO C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ncc(Cl)s1 ZINC001038511279 910290349 /nfs/dbraw/zinc/29/03/49/910290349.db2.gz UKDMMDVQZRSMHV-SECBINFHSA-N 1 2 283.784 1.624 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH2+][C@@H]1CCN(CC)C(=O)C1)[C@@H](C)CC ZINC001172030412 911146866 /nfs/dbraw/zinc/14/68/66/911146866.db2.gz XRRSRJNKVLWXRS-GUTXKFCHSA-N 1 2 296.411 1.731 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2n(n1)CCCC2 ZINC001038382231 911164404 /nfs/dbraw/zinc/16/44/04/911164404.db2.gz KQBFQTFGFVCJDD-CQSZACIVSA-N 1 2 286.379 1.047 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2n(n1)CCCC2 ZINC001038382231 911164415 /nfs/dbraw/zinc/16/44/15/911164415.db2.gz KQBFQTFGFVCJDD-CQSZACIVSA-N 1 2 286.379 1.047 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncoc1CC ZINC001038125877 911274726 /nfs/dbraw/zinc/27/47/26/911274726.db2.gz BBHFEXQYCXHBKE-LLVKDONJSA-N 1 2 261.325 1.064 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncoc1CC ZINC001038125877 911274738 /nfs/dbraw/zinc/27/47/38/911274738.db2.gz BBHFEXQYCXHBKE-LLVKDONJSA-N 1 2 261.325 1.064 20 30 CDEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1)C(=O)OCC ZINC001172166804 911413493 /nfs/dbraw/zinc/41/34/93/911413493.db2.gz UJCLHEMZUVZXBW-NFFDBFGFSA-N 1 2 292.379 1.237 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cncn2-c2ccccc2)C1 ZINC001030443294 911837711 /nfs/dbraw/zinc/83/77/11/911837711.db2.gz FGGKWLUWPTVVTR-UHFFFAOYSA-N 1 2 294.358 1.310 20 30 CDEDLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602685310 911969714 /nfs/dbraw/zinc/96/97/14/911969714.db2.gz FSEDGUXUKYZAAT-AWEZNQCLSA-N 1 2 287.367 1.189 20 30 CDEDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602685310 911969726 /nfs/dbraw/zinc/96/97/26/911969726.db2.gz FSEDGUXUKYZAAT-AWEZNQCLSA-N 1 2 287.367 1.189 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCCn3nccc32)C1 ZINC001030547292 912020981 /nfs/dbraw/zinc/02/09/81/912020981.db2.gz FILYINOWZXCRNN-ZDUSSCGKSA-N 1 2 274.368 1.137 20 30 CDEDLO C=C(Br)CN1CC[NH+](CCOC(C)C)CC1 ZINC000175290198 915010966 /nfs/dbraw/zinc/01/09/66/915010966.db2.gz NSHKGZRVELRGQE-UHFFFAOYSA-N 1 2 291.233 1.938 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2nccn2C)C1=O ZINC001272678640 915090563 /nfs/dbraw/zinc/09/05/63/915090563.db2.gz PTTWHTMXCYFXGN-HNNXBMFYSA-N 1 2 274.368 1.173 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2nccn2C)C1=O ZINC001272678640 915090583 /nfs/dbraw/zinc/09/05/83/915090583.db2.gz PTTWHTMXCYFXGN-HNNXBMFYSA-N 1 2 274.368 1.173 20 30 CDEDLO C=CCCC(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001124640515 936328159 /nfs/dbraw/zinc/32/81/59/936328159.db2.gz IHKFVEPQSMSQIN-SECBINFHSA-N 1 2 252.318 1.111 20 30 CDEDLO Cc1cc(N[C@@H](C)CNC(=O)[C@@H](C)C#N)nc(C2CC2)[nH+]1 ZINC001097738878 936361760 /nfs/dbraw/zinc/36/17/60/936361760.db2.gz PCJFTDJXNUWIEF-ONGXEEELSA-N 1 2 287.367 1.739 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001031860114 916680290 /nfs/dbraw/zinc/68/02/90/916680290.db2.gz OQUBPINRNIMUKJ-TZMCWYRMSA-N 1 2 268.788 1.977 20 30 CDEDLO COc1ccc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)c(C#N)c1 ZINC001137704853 936392867 /nfs/dbraw/zinc/39/28/67/936392867.db2.gz XEZZCAUGHICPND-AWEZNQCLSA-N 1 2 289.354 1.795 20 30 CDEDLO COc1ccc(CN2CC([N@H+]3CC[C@H](F)C3)C2)c(C#N)c1 ZINC001137704853 936392873 /nfs/dbraw/zinc/39/28/73/936392873.db2.gz XEZZCAUGHICPND-AWEZNQCLSA-N 1 2 289.354 1.795 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C1=COCCC1)O2 ZINC001053578063 936415489 /nfs/dbraw/zinc/41/54/89/936415489.db2.gz YZIIXZPFOKRUDI-CQSZACIVSA-N 1 2 292.379 1.216 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2c[nH]c(=O)cc2C)C1 ZINC001031967680 917434827 /nfs/dbraw/zinc/43/48/27/917434827.db2.gz ZGCIFRWWINJCGN-UHFFFAOYSA-N 1 2 295.770 1.510 20 30 CDEDLO COc1ccc(C#CC(=O)NCCn2cc[nH+]c2)cc1 ZINC001182044643 917604962 /nfs/dbraw/zinc/60/49/62/917604962.db2.gz CUSMUWAUVZZUCV-UHFFFAOYSA-N 1 2 269.304 1.060 20 30 CDEDLO C#CC[NH+]1CCN(Cc2nc3ccccn3c2C)CC1 ZINC001137273810 936439880 /nfs/dbraw/zinc/43/98/80/936439880.db2.gz SZOWWAXETYSGNN-UHFFFAOYSA-N 1 2 268.364 1.394 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001032042154 917640950 /nfs/dbraw/zinc/64/09/50/917640950.db2.gz QSSSNRTVROCFJZ-QWHCGFSZSA-N 1 2 268.788 1.833 20 30 CDEDLO C#CCOc1ccc(F)cc1NC(=O)Cc1c[nH+]cn1C ZINC000185734165 918036707 /nfs/dbraw/zinc/03/67/07/918036707.db2.gz QUIHZIBTLYKDIG-UHFFFAOYSA-N 1 2 287.294 1.752 20 30 CDEDLO C=CCOCCCC(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001125253037 918067197 /nfs/dbraw/zinc/06/71/97/918067197.db2.gz VPCICSSLYFXSDO-ZDUSSCGKSA-N 1 2 295.383 1.733 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCCCC1 ZINC001032257972 918105840 /nfs/dbraw/zinc/10/58/40/918105840.db2.gz NBHNVRKTHROCHT-GJZGRUSLSA-N 1 2 260.381 1.875 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCCCC1 ZINC001032257972 918105853 /nfs/dbraw/zinc/10/58/53/918105853.db2.gz NBHNVRKTHROCHT-GJZGRUSLSA-N 1 2 260.381 1.875 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)[nH]n1 ZINC001032290529 918169212 /nfs/dbraw/zinc/16/92/12/918169212.db2.gz PJWMIIOGPKUEOW-STQMWFEESA-N 1 2 274.368 1.447 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)[nH]n1 ZINC001032290529 918169219 /nfs/dbraw/zinc/16/92/19/918169219.db2.gz PJWMIIOGPKUEOW-STQMWFEESA-N 1 2 274.368 1.447 20 30 CDEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C(F)=C(C)C)nn2)C1 ZINC001107156289 918224450 /nfs/dbraw/zinc/22/44/50/918224450.db2.gz VVOKDVKINGJOHE-UHFFFAOYSA-N 1 2 293.346 1.200 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1C(C)(C)C1(C)C ZINC001032338263 918497195 /nfs/dbraw/zinc/49/71/95/918497195.db2.gz WGCQIVPSRZVYEC-STQMWFEESA-N 1 2 274.408 1.977 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1C(C)(C)C1(C)C ZINC001032338263 918497198 /nfs/dbraw/zinc/49/71/98/918497198.db2.gz WGCQIVPSRZVYEC-STQMWFEESA-N 1 2 274.408 1.977 20 30 CDEDLO Cc1nc(NC[C@@H](C)NC(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001107694535 918624272 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C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1occ2c1CCCC2 ZINC001085946777 926530180 /nfs/dbraw/zinc/53/01/80/926530180.db2.gz RVFGPJCZJFLDBG-CQSZACIVSA-N 1 2 286.375 1.938 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001490563252 927235008 /nfs/dbraw/zinc/23/50/08/927235008.db2.gz IXKRENLUKBLOLJ-LBPRGKRZSA-N 1 2 291.399 1.108 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001490563252 927235023 /nfs/dbraw/zinc/23/50/23/927235023.db2.gz IXKRENLUKBLOLJ-LBPRGKRZSA-N 1 2 291.399 1.108 20 30 CDEDLO C[C@@H](CNc1ccc(C#N)nc1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001108337908 927407792 /nfs/dbraw/zinc/40/77/92/927407792.db2.gz QFRALKOAEMIUQA-NSHDSACASA-N 1 2 298.350 1.226 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C)C#N)C1 ZINC001149401368 937177340 /nfs/dbraw/zinc/17/73/40/937177340.db2.gz ZTXABUZPOCGUTK-PWSUYJOCSA-N 1 2 285.775 1.106 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C)C#N)C1 ZINC001149401368 937177342 /nfs/dbraw/zinc/17/73/42/937177342.db2.gz ZTXABUZPOCGUTK-PWSUYJOCSA-N 1 2 285.775 1.106 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1[nH]nc(C)c1C(=O)OCC)[C@@H]1CCCO1 ZINC000851951220 927671935 /nfs/dbraw/zinc/67/19/35/927671935.db2.gz WGWHFHIXEHTYLD-YPMHNXCESA-N 1 2 291.351 1.165 20 30 CDEDLO C=CC[N@@H+](CCS(=O)(=O)CCC)[C@H](C)COC ZINC000852357872 927776584 /nfs/dbraw/zinc/77/65/84/927776584.db2.gz JKEBNJBGTYZCKW-GFCCVEGCSA-N 1 2 263.403 1.334 20 30 CDEDLO C=CC[N@H+](CCS(=O)(=O)CCC)[C@H](C)COC ZINC000852357872 927776598 /nfs/dbraw/zinc/77/65/98/927776598.db2.gz JKEBNJBGTYZCKW-GFCCVEGCSA-N 1 2 263.403 1.334 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NCCC(=O)NC ZINC000853198065 927975473 /nfs/dbraw/zinc/97/54/73/927975473.db2.gz LMKXNJGUCDTSIU-UHFFFAOYSA-N 1 2 261.325 1.422 20 30 CDEDLO COc1cc(Cl)cc(N2CC[NH2+]C[C@@H]2C#N)n1 ZINC001156320050 928041600 /nfs/dbraw/zinc/04/16/00/928041600.db2.gz OAZPFUAMVSYFCA-VIFPVBQESA-N 1 2 252.705 1.045 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1CNC(=O)C1 ZINC000853688563 928075541 /nfs/dbraw/zinc/07/55/41/928075541.db2.gz DNGFRGAYPKYYOL-LBPRGKRZSA-N 1 2 273.336 1.422 20 30 CDEDLO C=CCOCC(=O)NCC1(Nc2cc[nH+]c(C)n2)CCC1 ZINC001111771253 937230149 /nfs/dbraw/zinc/23/01/49/937230149.db2.gz AIGLBFMLKUCFSG-UHFFFAOYSA-N 1 2 290.367 1.438 20 30 CDEDLO N#Cc1ccc(F)cc1C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000781993690 937235847 /nfs/dbraw/zinc/23/58/47/937235847.db2.gz OHSOUZDUAMEDKE-UHFFFAOYSA-N 1 2 289.310 1.772 20 30 CDEDLO C=CCOC[C@@H](O)CNc1cc[nH+]c(OCC)c1 ZINC001252453096 928380802 /nfs/dbraw/zinc/38/08/02/928380802.db2.gz BSENWWGZDGCIAZ-LBPRGKRZSA-N 1 2 252.314 1.456 20 30 CDEDLO C#CCCOC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000859138567 928973138 /nfs/dbraw/zinc/97/31/38/928973138.db2.gz JMYBRSBMEZTSGD-CYBMUJFWSA-N 1 2 260.293 1.695 20 30 CDEDLO NC(=[NH+]OCCOCC(F)F)c1ccc(F)cc1 ZINC000786738136 929266187 /nfs/dbraw/zinc/26/61/87/929266187.db2.gz GZNPIWXDCHASNQ-UHFFFAOYSA-N 1 2 262.231 1.744 20 30 CDEDLO C=CCCC(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001112688273 929329958 /nfs/dbraw/zinc/32/99/58/929329958.db2.gz LAZFPLJKNVCQCH-UHFFFAOYSA-N 1 2 266.385 1.523 20 30 CDEDLO Cc1nc(NCC2CC(NC(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001112828910 929474917 /nfs/dbraw/zinc/47/49/17/929474917.db2.gz LKZCDXYFWDXHRD-GCVQQVDUSA-N 1 2 273.340 1.251 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001112836642 929481736 /nfs/dbraw/zinc/48/17/36/929481736.db2.gz GCRZPLOGGFRUQC-UHFFFAOYSA-N 1 2 278.396 1.383 20 30 CDEDLO Cc1cc(C(N)=[NH+]OC[C@H]2CCCO2)ccc1F ZINC000794518721 929542979 /nfs/dbraw/zinc/54/29/79/929542979.db2.gz BVVBMTSQLHZGPE-LLVKDONJSA-N 1 2 252.289 1.950 20 30 CDEDLO C#CC[C@H](CCOC)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000863779285 929604429 /nfs/dbraw/zinc/60/44/29/929604429.db2.gz LTMAGHRRNMTIOL-CQSZACIVSA-N 1 2 285.347 1.801 20 30 CDEDLO CNC(=S)N[NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC000814692553 929805331 /nfs/dbraw/zinc/80/53/31/929805331.db2.gz XBUMMVSDMPSCNV-QMMMGPOBSA-N 1 2 260.366 1.788 20 30 CDEDLO CN(C)c1cc(Cn2cc(CCC#N)nn2)cc[nH+]1 ZINC000881366863 929828157 /nfs/dbraw/zinc/82/81/57/929828157.db2.gz MFRHABGFARPEHB-UHFFFAOYSA-N 1 2 256.313 1.244 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)o1 ZINC000815328331 929977805 /nfs/dbraw/zinc/97/78/05/929977805.db2.gz OQZRSTFNVWVUMO-UHFFFAOYSA-N 1 2 269.260 1.450 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882873369 930090400 /nfs/dbraw/zinc/09/04/00/930090400.db2.gz YIHZFKZTEQZXJE-OCCSQVGLSA-N 1 2 268.320 1.900 20 30 CDEDLO C=C(C)C[C@H](CO)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000882898957 930096097 /nfs/dbraw/zinc/09/60/97/930096097.db2.gz ANXXZRYWWPHHSX-HIFRSBDPSA-N 1 2 296.411 1.073 20 30 CDEDLO C=C(C)C[C@H](CO)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000882898957 930096102 /nfs/dbraw/zinc/09/61/02/930096102.db2.gz ANXXZRYWWPHHSX-HIFRSBDPSA-N 1 2 296.411 1.073 20 30 CDEDLO C=C(C)C[C@H](CO)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000882902937 930098985 /nfs/dbraw/zinc/09/89/85/930098985.db2.gz SIKYMRUVSSSSOV-CYBMUJFWSA-N 1 2 273.336 1.700 20 30 CDEDLO C#CC1(F)CN(C(=O)NCc2[nH+]cc(C)c(OC)c2C)C1 ZINC000883248127 930170720 /nfs/dbraw/zinc/17/07/20/930170720.db2.gz ISGFKANVVXRGNA-UHFFFAOYSA-N 1 2 291.326 1.574 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000884048449 930413145 /nfs/dbraw/zinc/41/31/45/930413145.db2.gz LMKXXBFBUMEJOO-ZDEQEGDKSA-N 1 2 282.384 1.374 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H](C)CCC ZINC000884091976 930439159 /nfs/dbraw/zinc/43/91/59/930439159.db2.gz PJKHFEUJTYDYKI-QWRGUYRKSA-N 1 2 256.346 1.080 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1ccsc1 ZINC000884059359 930421197 /nfs/dbraw/zinc/42/11/97/930421197.db2.gz OXLFCMZLQFHHSC-NSHDSACASA-N 1 2 282.365 1.153 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1C(C)C ZINC000884140070 930456667 /nfs/dbraw/zinc/45/66/67/930456667.db2.gz JXJILHGAWMIIPH-QWHCGFSZSA-N 1 2 282.384 1.470 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000884611469 930606125 /nfs/dbraw/zinc/60/61/25/930606125.db2.gz MYAKGBLTVDJFPR-SNVBAGLBSA-N 1 2 278.287 1.638 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000884611469 930606131 /nfs/dbraw/zinc/60/61/31/930606131.db2.gz MYAKGBLTVDJFPR-SNVBAGLBSA-N 1 2 278.287 1.638 20 30 CDEDLO CC[N@H+](Cc1cc(C)on1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207968 937429604 /nfs/dbraw/zinc/42/96/04/937429604.db2.gz YEWUVKBUTQCSCK-CYBMUJFWSA-N 1 2 291.395 1.969 20 30 CDEDLO CC[N@@H+](Cc1cc(C)on1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207968 937429605 /nfs/dbraw/zinc/42/96/05/937429605.db2.gz YEWUVKBUTQCSCK-CYBMUJFWSA-N 1 2 291.395 1.969 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCCn3nncc3C2)cc1 ZINC000886447441 930882063 /nfs/dbraw/zinc/88/20/63/930882063.db2.gz KNUPJGCJUMLSJZ-UHFFFAOYSA-N 1 2 253.309 1.556 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCCn3nncc3C2)cc1 ZINC000886447441 930882072 /nfs/dbraw/zinc/88/20/72/930882072.db2.gz KNUPJGCJUMLSJZ-UHFFFAOYSA-N 1 2 253.309 1.556 20 30 CDEDLO C#CCC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCCCC1 ZINC000886654466 930932216 /nfs/dbraw/zinc/93/22/16/930932216.db2.gz BUYPXQJWRTZQOV-CYBMUJFWSA-N 1 2 264.369 1.159 20 30 CDEDLO C#CCC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC000886654466 930932223 /nfs/dbraw/zinc/93/22/23/930932223.db2.gz BUYPXQJWRTZQOV-CYBMUJFWSA-N 1 2 264.369 1.159 20 30 CDEDLO C=CCC1(O)CC[NH+](CC(=O)c2cccn2C)CC1 ZINC000886768393 930956020 /nfs/dbraw/zinc/95/60/20/930956020.db2.gz AAQQQZOQVFMGBT-UHFFFAOYSA-N 1 2 262.353 1.611 20 30 CDEDLO C#CCC1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCC1 ZINC000886790305 930962050 /nfs/dbraw/zinc/96/20/50/930962050.db2.gz ZPFQHAQWUQDEAW-LBPRGKRZSA-N 1 2 257.337 1.508 20 30 CDEDLO C#CC1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000826548544 931037887 /nfs/dbraw/zinc/03/78/87/931037887.db2.gz LHTLLMWHYZKOCS-ZDUSSCGKSA-N 1 2 272.352 1.253 20 30 CDEDLO C#CCC[N@@H+](CC(=O)OCC)Cc1ccccc1O ZINC000823575940 931324760 /nfs/dbraw/zinc/32/47/60/931324760.db2.gz FDMKIFOICRIFAK-UHFFFAOYSA-N 1 2 261.321 1.781 20 30 CDEDLO C#CCC[N@H+](CC(=O)OCC)Cc1ccccc1O ZINC000823575940 931324764 /nfs/dbraw/zinc/32/47/64/931324764.db2.gz FDMKIFOICRIFAK-UHFFFAOYSA-N 1 2 261.321 1.781 20 30 CDEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1cncnc1)CC2 ZINC001137663670 931400841 /nfs/dbraw/zinc/40/08/41/931400841.db2.gz JWOLTPQECAXELQ-UHFFFAOYSA-N 1 2 250.305 1.907 20 30 CDEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1cncnc1)CC2 ZINC001137663670 931400844 /nfs/dbraw/zinc/40/08/44/931400844.db2.gz JWOLTPQECAXELQ-UHFFFAOYSA-N 1 2 250.305 1.907 20 30 CDEDLO C=CCC[C@@H](O)C[NH+]1CC2(C1)CN(CCCC)C(=O)CO2 ZINC001274621363 931523316 /nfs/dbraw/zinc/52/33/16/931523316.db2.gz SDQPUWOGROWCPA-CQSZACIVSA-N 1 2 296.411 1.027 20 30 CDEDLO C=CCC(F)(F)C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000844023653 931526789 /nfs/dbraw/zinc/52/67/89/931526789.db2.gz TWSKLJBRYRYPEV-TXEJJXNPSA-N 1 2 290.354 1.765 20 30 CDEDLO C=CCC(F)(F)C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000844023653 931526795 /nfs/dbraw/zinc/52/67/95/931526795.db2.gz TWSKLJBRYRYPEV-TXEJJXNPSA-N 1 2 290.354 1.765 20 30 CDEDLO CN1CCO[C@]2(CCC[N@H+](Cc3cncc(C#N)c3)C2)C1 ZINC001275028840 931637077 /nfs/dbraw/zinc/63/70/77/931637077.db2.gz LQWSZEKPPDCNFB-MRXNPFEDSA-N 1 2 286.379 1.250 20 30 CDEDLO CN1CCO[C@]2(CCC[N@@H+](Cc3cncc(C#N)c3)C2)C1 ZINC001275028840 931637078 /nfs/dbraw/zinc/63/70/78/931637078.db2.gz LQWSZEKPPDCNFB-MRXNPFEDSA-N 1 2 286.379 1.250 20 30 CDEDLO N#Cc1cncc(C[N@H+]2CCCN(C(=O)C3CCC3)CC2)c1 ZINC001144079912 931650499 /nfs/dbraw/zinc/65/04/99/931650499.db2.gz OUGFJGAJUZXJSZ-UHFFFAOYSA-N 1 2 298.390 1.788 20 30 CDEDLO N#Cc1cncc(C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)c1 ZINC001144079912 931650502 /nfs/dbraw/zinc/65/05/02/931650502.db2.gz OUGFJGAJUZXJSZ-UHFFFAOYSA-N 1 2 298.390 1.788 20 30 CDEDLO C[NH+]1CC2(C1)CCN(C(=O)c1cccc(C#N)c1O)CC2 ZINC001275735070 931987093 /nfs/dbraw/zinc/98/70/93/931987093.db2.gz ZOVXQNHQDZHSPK-UHFFFAOYSA-N 1 2 285.347 1.432 20 30 CDEDLO Cn1cc(C[NH+]2CC3(CN(Cc4ncco4)C3)C2)cc1C#N ZINC001276190322 932625040 /nfs/dbraw/zinc/62/50/40/932625040.db2.gz SVPPLCJQTXQNGG-UHFFFAOYSA-N 1 2 297.362 1.203 20 30 CDEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1cc(-c2ccncc2)cc[nH+]1 ZINC001171363224 932866910 /nfs/dbraw/zinc/86/69/10/932866910.db2.gz DNFHOTSVWYHKQE-HZMBPMFUSA-N 1 2 284.319 1.792 20 30 CDEDLO C=CCCN(C)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925598790 932911785 /nfs/dbraw/zinc/91/17/85/932911785.db2.gz YXSOGOBZHHMKOV-ZDUSSCGKSA-N 1 2 269.389 1.315 20 30 CDEDLO C#CCSCC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927103977 933045227 /nfs/dbraw/zinc/04/52/27/933045227.db2.gz HYRCYBXKZLSZPA-UHFFFAOYSA-N 1 2 289.404 1.851 20 30 CDEDLO Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000932160033 933674920 /nfs/dbraw/zinc/67/49/20/933674920.db2.gz BMSQMLKAWWMAOP-HUUCEWRRSA-N 1 2 274.364 1.970 20 30 CDEDLO Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC000932160033 933674927 /nfs/dbraw/zinc/67/49/27/933674927.db2.gz BMSQMLKAWWMAOP-HUUCEWRRSA-N 1 2 274.364 1.970 20 30 CDEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCn3cccc3C2)cc1 ZINC000932530540 933728615 /nfs/dbraw/zinc/72/86/15/933728615.db2.gz JUBWXOMSYNJWHQ-INIZCTEOSA-N 1 2 297.358 1.615 20 30 CDEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCn3cccc3C2)cc1 ZINC000932530540 933728622 /nfs/dbraw/zinc/72/86/22/933728622.db2.gz JUBWXOMSYNJWHQ-INIZCTEOSA-N 1 2 297.358 1.615 20 30 CDEDLO N#CCc1ccccc1CC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779097816 934397881 /nfs/dbraw/zinc/39/78/81/934397881.db2.gz XRVRHWYTZBVZLK-HNNXBMFYSA-N 1 2 294.358 1.623 20 30 CDEDLO Oc1ccc(C=NNCCC[NH+]2CCOCC2)cc1Cl ZINC000799488970 934901714 /nfs/dbraw/zinc/90/17/14/934901714.db2.gz NECZUKIAISNEIH-UHFFFAOYSA-N 1 2 297.786 1.691 20 30 CDEDLO N#CCC[N@H+](Cc1ccccn1)C[C@@H]1CCNC(=O)CC1 ZINC001412949515 935108451 /nfs/dbraw/zinc/10/84/51/935108451.db2.gz OBGOOCMXLYQANR-AWEZNQCLSA-N 1 2 286.379 1.714 20 30 CDEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@@H]1CCNC(=O)CC1 ZINC001412949515 935108455 /nfs/dbraw/zinc/10/84/55/935108455.db2.gz OBGOOCMXLYQANR-AWEZNQCLSA-N 1 2 286.379 1.714 20 30 CDEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2snnc2CC)C1 ZINC001007843397 935392859 /nfs/dbraw/zinc/39/28/59/935392859.db2.gz FAAKMFGLGYNMCR-LLVKDONJSA-N 1 2 292.408 1.318 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2snnc2CC)C1 ZINC001007843397 935392866 /nfs/dbraw/zinc/39/28/66/935392866.db2.gz FAAKMFGLGYNMCR-LLVKDONJSA-N 1 2 292.408 1.318 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cc(-c3ccccc3)no2)C1 ZINC001015078155 935557057 /nfs/dbraw/zinc/55/70/57/935557057.db2.gz QVUUDZRAMXFFBC-AWEZNQCLSA-N 1 2 295.342 1.779 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(-c3ccccc3)no2)C1 ZINC001015078155 935557062 /nfs/dbraw/zinc/55/70/62/935557062.db2.gz QVUUDZRAMXFFBC-AWEZNQCLSA-N 1 2 295.342 1.779 20 30 CDEDLO Cc1cc(C)c(C(=O)N[C@@H]2CCN(CC#N)C2)c(C)[nH+]1 ZINC001015335664 935565141 /nfs/dbraw/zinc/56/51/41/935565141.db2.gz ANRUFFSPLJEHIT-CYBMUJFWSA-N 1 2 272.352 1.335 20 30 CDEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2cccc3nc(C)[nH]c32)C1 ZINC001015947712 935594977 /nfs/dbraw/zinc/59/49/77/935594977.db2.gz NLWKJTPTNGVOCX-LBPRGKRZSA-N 1 2 284.363 1.861 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc3nc(C)[nH]c32)C1 ZINC001015947712 935594979 /nfs/dbraw/zinc/59/49/79/935594979.db2.gz NLWKJTPTNGVOCX-LBPRGKRZSA-N 1 2 284.363 1.861 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2sc(C)nc2C)C1 ZINC001016207324 935606394 /nfs/dbraw/zinc/60/63/94/935606394.db2.gz KRBDNXLZXPOQJH-LLVKDONJSA-N 1 2 263.366 1.197 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2sc(C)nc2C)C1 ZINC001016207324 935606397 /nfs/dbraw/zinc/60/63/97/935606397.db2.gz KRBDNXLZXPOQJH-LLVKDONJSA-N 1 2 263.366 1.197 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(c1)CCO2 ZINC001017985323 935656900 /nfs/dbraw/zinc/65/69/00/935656900.db2.gz DMMQOFGVUKGOKK-IYBDPMFKSA-N 1 2 296.370 1.544 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(c1)CCO2 ZINC001017985323 935656902 /nfs/dbraw/zinc/65/69/02/935656902.db2.gz DMMQOFGVUKGOKK-IYBDPMFKSA-N 1 2 296.370 1.544 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2cccnn21 ZINC001018037998 935658770 /nfs/dbraw/zinc/65/87/70/935658770.db2.gz PIOQTAKIGREWRF-GASCZTMLSA-N 1 2 294.358 1.256 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2cccnn21 ZINC001018037998 935658775 /nfs/dbraw/zinc/65/87/75/935658775.db2.gz PIOQTAKIGREWRF-GASCZTMLSA-N 1 2 294.358 1.256 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001019331744 935701396 /nfs/dbraw/zinc/70/13/96/935701396.db2.gz CNBZNKXHKWRKAF-SMDDNHRTSA-N 1 2 294.424 1.831 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC001038292198 935740165 /nfs/dbraw/zinc/74/01/65/935740165.db2.gz HLBSEWPASXSIAF-AWEZNQCLSA-N 1 2 257.337 1.136 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC001038292198 935740167 /nfs/dbraw/zinc/74/01/67/935740167.db2.gz HLBSEWPASXSIAF-AWEZNQCLSA-N 1 2 257.337 1.136 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(Cl)n[nH]c1CC ZINC001038329826 935741173 /nfs/dbraw/zinc/74/11/73/935741173.db2.gz DCYAWYLWRHDZGT-VIFPVBQESA-N 1 2 280.759 1.063 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(Cl)n[nH]c1CC ZINC001038329826 935741174 /nfs/dbraw/zinc/74/11/74/935741174.db2.gz DCYAWYLWRHDZGT-VIFPVBQESA-N 1 2 280.759 1.063 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1nccc2cccnc21 ZINC001038358041 935742647 /nfs/dbraw/zinc/74/26/47/935742647.db2.gz UZXRNTUSHZNGPV-AWEZNQCLSA-N 1 2 294.358 1.457 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1nccc2cccnc21 ZINC001038358041 935742649 /nfs/dbraw/zinc/74/26/49/935742649.db2.gz UZXRNTUSHZNGPV-AWEZNQCLSA-N 1 2 294.358 1.457 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(-c2ccccn2)n1 ZINC001038463630 935745663 /nfs/dbraw/zinc/74/56/63/935745663.db2.gz VILHCKBNBZSEMI-GFCCVEGCSA-N 1 2 298.346 1.727 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(-c2ccccn2)n1 ZINC001038463630 935745667 /nfs/dbraw/zinc/74/56/67/935745667.db2.gz VILHCKBNBZSEMI-GFCCVEGCSA-N 1 2 298.346 1.727 20 30 CDEDLO C#CCCN1CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038461526 935746356 /nfs/dbraw/zinc/74/63/56/935746356.db2.gz GADNXYUANIVJSQ-AWEZNQCLSA-N 1 2 282.347 1.162 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1nccc2occc21 ZINC001038542236 935748047 /nfs/dbraw/zinc/74/80/47/935748047.db2.gz ZMRAGZDCAGRZCG-LBPRGKRZSA-N 1 2 283.331 1.655 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1nccc2occc21 ZINC001038542236 935748049 /nfs/dbraw/zinc/74/80/49/935748049.db2.gz ZMRAGZDCAGRZCG-LBPRGKRZSA-N 1 2 283.331 1.655 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)noc1C1CC1 ZINC001038530125 935748529 /nfs/dbraw/zinc/74/85/29/935748529.db2.gz WFBCMIFYEPHFLC-GFCCVEGCSA-N 1 2 275.352 1.851 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)noc1C1CC1 ZINC001038530125 935748530 /nfs/dbraw/zinc/74/85/30/935748530.db2.gz WFBCMIFYEPHFLC-GFCCVEGCSA-N 1 2 275.352 1.851 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2ccccc2nn1 ZINC001038571121 935749408 /nfs/dbraw/zinc/74/94/08/935749408.db2.gz FPFPWLJSBYJDRM-AWEZNQCLSA-N 1 2 294.358 1.457 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2ccccc2nn1 ZINC001038571121 935749410 /nfs/dbraw/zinc/74/94/10/935749410.db2.gz FPFPWLJSBYJDRM-AWEZNQCLSA-N 1 2 294.358 1.457 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(F)c1Cl ZINC001038751430 935756109 /nfs/dbraw/zinc/75/61/09/935756109.db2.gz PPSWEOCTGYQTHK-JTQLQIEISA-N 1 2 280.730 1.916 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(F)c1Cl ZINC001038751430 935756110 /nfs/dbraw/zinc/75/61/10/935756110.db2.gz PPSWEOCTGYQTHK-JTQLQIEISA-N 1 2 280.730 1.916 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(C2CC2)nc1 ZINC001038779369 935757125 /nfs/dbraw/zinc/75/71/25/935757125.db2.gz DFJDUAURQMQXPB-CQSZACIVSA-N 1 2 284.363 1.181 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(C2CC2)nc1 ZINC001038779369 935757127 /nfs/dbraw/zinc/75/71/27/935757127.db2.gz DFJDUAURQMQXPB-CQSZACIVSA-N 1 2 284.363 1.181 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001038953893 935763181 /nfs/dbraw/zinc/76/31/81/935763181.db2.gz OZLJMRRRSNMARE-ZDUSSCGKSA-N 1 2 262.740 1.777 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001038953893 935763182 /nfs/dbraw/zinc/76/31/82/935763182.db2.gz OZLJMRRRSNMARE-ZDUSSCGKSA-N 1 2 262.740 1.777 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001039049546 935767360 /nfs/dbraw/zinc/76/73/60/935767360.db2.gz QKFBZOJVCWSXOY-PFSRBDOWSA-N 1 2 260.381 1.636 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001039049546 935767363 /nfs/dbraw/zinc/76/73/63/935767363.db2.gz QKFBZOJVCWSXOY-PFSRBDOWSA-N 1 2 260.381 1.636 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)nsc1C ZINC001039064304 935767368 /nfs/dbraw/zinc/76/73/68/935767368.db2.gz HHGZHUASSWHCTK-NSHDSACASA-N 1 2 263.366 1.197 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)nsc1C ZINC001039064304 935767370 /nfs/dbraw/zinc/76/73/70/935767370.db2.gz HHGZHUASSWHCTK-NSHDSACASA-N 1 2 263.366 1.197 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccc(F)c2)C1 ZINC001042430153 935820522 /nfs/dbraw/zinc/82/05/22/935820522.db2.gz HCAFLXORRNTORE-UHFFFAOYSA-N 1 2 260.312 1.605 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccc(C)n2)C1 ZINC001042483415 935821737 /nfs/dbraw/zinc/82/17/37/935821737.db2.gz HRWWEDDWULPUAP-UHFFFAOYSA-N 1 2 259.353 1.722 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC001042736913 935828701 /nfs/dbraw/zinc/82/87/01/935828701.db2.gz OFLUWLYCXDGKQL-GJZGRUSLSA-N 1 2 280.412 1.766 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2nc(C)sc2C)C1 ZINC001043047915 935832657 /nfs/dbraw/zinc/83/26/57/935832657.db2.gz BXTFWBMRSUAUIA-UHFFFAOYSA-N 1 2 277.393 1.539 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@@H](C)CO2)C1 ZINC001043389715 935837648 /nfs/dbraw/zinc/83/76/48/935837648.db2.gz VGEIZZAONVZGKB-YPMHNXCESA-N 1 2 252.358 1.130 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc3ncccc3o2)C1 ZINC001043372728 935837867 /nfs/dbraw/zinc/83/78/67/935837867.db2.gz RGRYIWBUINXSFN-UHFFFAOYSA-N 1 2 283.331 1.607 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccc3cn[nH]c32)C1 ZINC001043504616 935840380 /nfs/dbraw/zinc/84/03/80/935840380.db2.gz JJAXERJASBTNGZ-UHFFFAOYSA-N 1 2 284.363 1.895 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccc3c[nH]nc32)C1 ZINC001043504616 935840383 /nfs/dbraw/zinc/84/03/83/935840383.db2.gz JJAXERJASBTNGZ-UHFFFAOYSA-N 1 2 284.363 1.895 20 30 CDEDLO C=C1CC(C)(C(=O)N(C)C2CN(Cc3c[nH+]cn3C)C2)C1 ZINC001043794436 935844134 /nfs/dbraw/zinc/84/41/34/935844134.db2.gz VABFQUFNIDUQSE-UHFFFAOYSA-N 1 2 288.395 1.419 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cccc(F)c2F)C1 ZINC001043977633 935847279 /nfs/dbraw/zinc/84/72/79/935847279.db2.gz UBZDYAGQXRDUHY-UHFFFAOYSA-N 1 2 280.318 1.836 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2coc(C3CCC3)n2)C1 ZINC001044157345 935852773 /nfs/dbraw/zinc/85/27/73/935852773.db2.gz WEJIKJCTZGUTNS-UHFFFAOYSA-N 1 2 287.363 1.722 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2Oc3ccccc3[C@H]2C)C1 ZINC001044371711 935858849 /nfs/dbraw/zinc/85/88/49/935858849.db2.gz JHOQSXNBIOOHPT-CXAGYDPISA-N 1 2 298.386 1.717 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)C2CC(OC)C2)C1 ZINC001046404695 935948068 /nfs/dbraw/zinc/94/80/68/935948068.db2.gz GDUKIVWOJPAKIC-YIZWMMSDSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)C2CC(OC)C2)C1 ZINC001046404695 935948072 /nfs/dbraw/zinc/94/80/72/935948072.db2.gz GDUKIVWOJPAKIC-YIZWMMSDSA-N 1 2 286.803 1.745 20 30 CDEDLO C[C@H](C#N)OCC[NH+]1CCN(Cc2ccco2)CC1 ZINC000801912030 936014974 /nfs/dbraw/zinc/01/49/74/936014974.db2.gz YBBXMRKPWFGZAR-CYBMUJFWSA-N 1 2 263.341 1.326 20 30 CDEDLO C[C@H](C#N)OCCN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000801933174 936016785 /nfs/dbraw/zinc/01/67/85/936016785.db2.gz JXSNGGUKUYNWTB-CQSZACIVSA-N 1 2 289.379 1.438 20 30 CDEDLO CCC[C@H]1C[N@H+](CCO[C@@H](C)C#N)CCN1CCOC ZINC000801941275 936017145 /nfs/dbraw/zinc/01/71/45/936017145.db2.gz XZCGXJVKMPDBKI-GJZGRUSLSA-N 1 2 283.416 1.348 20 30 CDEDLO CCC[C@H]1C[N@@H+](CCO[C@@H](C)C#N)CCN1CCOC ZINC000801941275 936017148 /nfs/dbraw/zinc/01/71/48/936017148.db2.gz XZCGXJVKMPDBKI-GJZGRUSLSA-N 1 2 283.416 1.348 20 30 CDEDLO Cc1ccccc1CC(N)=[NH+]OCCO[C@H](C)C#N ZINC000802731527 936059169 /nfs/dbraw/zinc/05/91/69/936059169.db2.gz RUUYOKAHRNYJLF-GFCCVEGCSA-N 1 2 261.325 1.965 20 30 CDEDLO C=C(C)CCC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096436612 936086147 /nfs/dbraw/zinc/08/61/47/936086147.db2.gz WIIWAZQAGHRNQV-ZDUSSCGKSA-N 1 2 274.368 1.836 20 30 CDEDLO COC[C@@H](C#N)OC(=O)C[N@H+](C)Cc1ccccc1 ZINC001123095908 936114171 /nfs/dbraw/zinc/11/41/71/936114171.db2.gz DOBSGYSZYHEYDV-CYBMUJFWSA-N 1 2 262.309 1.200 20 30 CDEDLO COC[C@@H](C#N)OC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001123095908 936114172 /nfs/dbraw/zinc/11/41/72/936114172.db2.gz DOBSGYSZYHEYDV-CYBMUJFWSA-N 1 2 262.309 1.200 20 30 CDEDLO C#CCn1ccc(CN(CC)C(=O)CCc2[nH+]ccn2C)n1 ZINC001123864300 936235931 /nfs/dbraw/zinc/23/59/31/936235931.db2.gz HINKVWIAIYFSGN-UHFFFAOYSA-N 1 2 299.378 1.231 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2nccc3ccc(C#N)cc32)C[NH2+]1 ZINC001156242856 938341020 /nfs/dbraw/zinc/34/10/20/938341020.db2.gz MRMXHLPSDDJUKM-JSGCOSHPSA-N 1 2 296.330 1.422 20 30 CDEDLO COc1cc(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)ccc1C#N ZINC001238409171 945170041 /nfs/dbraw/zinc/17/00/41/945170041.db2.gz CGMLJHJGBWRAML-TZMCWYRMSA-N 1 2 278.327 1.719 20 30 CDEDLO COc1cc(C[N@H+]2C[C@H](F)C[C@@H](CO)C2)ccc1C#N ZINC001238409171 945170047 /nfs/dbraw/zinc/17/00/47/945170047.db2.gz CGMLJHJGBWRAML-TZMCWYRMSA-N 1 2 278.327 1.719 20 30 CDEDLO COC(=O)CC1C[NH+](Cc2ccc(C#N)c(OC)c2)C1 ZINC001238408998 945170761 /nfs/dbraw/zinc/17/07/61/945170761.db2.gz HDTDRDURLDKJQY-UHFFFAOYSA-N 1 2 274.320 1.562 20 30 CDEDLO Cc1ncc(C#N)cc1NC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156963990 938439354 /nfs/dbraw/zinc/43/93/54/938439354.db2.gz DCWQNVNMSJHQIO-UHFFFAOYSA-N 1 2 292.302 1.973 20 30 CDEDLO C[C@@H]1C[NH+](C2CN(c3ccc(C#N)cn3)C2)C[C@@H](C)O1 ZINC001158717199 938655868 /nfs/dbraw/zinc/65/58/68/938655868.db2.gz JXXFRQQGWPDTED-VXGBXAGGSA-N 1 2 272.352 1.251 20 30 CDEDLO CCOC(=O)Cc1ccc[nH+]c1NCCCS ZINC001159870425 938757976 /nfs/dbraw/zinc/75/79/76/938757976.db2.gz YIIFXOQRSFMVFG-UHFFFAOYSA-N 1 2 254.355 1.919 20 30 CDEDLO COCCOc1nccc(CNc2cc(CC#N)cc[nH+]2)n1 ZINC001162114120 938956421 /nfs/dbraw/zinc/95/64/21/938956421.db2.gz FVUPJRLIPMNEGS-UHFFFAOYSA-N 1 2 299.334 1.575 20 30 CDEDLO N#CC1(c2cc[nH+]c(NC[C@@H]3CCNC(=O)C3)c2)CC1 ZINC001162330495 939025856 /nfs/dbraw/zinc/02/58/56/939025856.db2.gz TZVVAPNMEAPDGU-LLVKDONJSA-N 1 2 270.336 1.575 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001163855738 939343129 /nfs/dbraw/zinc/34/31/29/939343129.db2.gz QBVONKOWKUURGZ-UHFFFAOYSA-N 1 2 294.399 1.830 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](N)C2)c(O)c1 ZINC001206682847 939499083 /nfs/dbraw/zinc/49/90/83/939499083.db2.gz GEZHVAJWIANIAQ-LBPRGKRZSA-N 1 2 267.279 1.432 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC(F)(F)[C@@H](N)C2)c(O)c1 ZINC001206682847 939499085 /nfs/dbraw/zinc/49/90/85/939499085.db2.gz GEZHVAJWIANIAQ-LBPRGKRZSA-N 1 2 267.279 1.432 20 30 CDEDLO CN(C)C(=O)C1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001205478846 939891917 /nfs/dbraw/zinc/89/19/17/939891917.db2.gz AHOBHVLOSADWIU-UHFFFAOYSA-N 1 2 261.300 1.217 20 30 CDEDLO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](CC(=O)OCC)C2 ZINC001207412629 940190927 /nfs/dbraw/zinc/19/09/27/940190927.db2.gz ISECIVRTXUDWNJ-INIZCTEOSA-N 1 2 294.395 1.583 20 30 CDEDLO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](CC(=O)OCC)C2 ZINC001207412629 940190929 /nfs/dbraw/zinc/19/09/29/940190929.db2.gz ISECIVRTXUDWNJ-INIZCTEOSA-N 1 2 294.395 1.583 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(COC)CC2)C1 ZINC001207985102 940274053 /nfs/dbraw/zinc/27/40/53/940274053.db2.gz NAWXDYWXVFGCSZ-ZYHUDNBSSA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(COC)CC2)C1 ZINC001207985102 940274054 /nfs/dbraw/zinc/27/40/54/940274054.db2.gz NAWXDYWXVFGCSZ-ZYHUDNBSSA-N 1 2 286.803 1.602 20 30 CDEDLO C#CC[N@@H+](C)CC1=CS[C@H](N)N1C(=O)OC(C)(C)C ZINC001208649951 940365933 /nfs/dbraw/zinc/36/59/33/940365933.db2.gz KMDRFPQKRWMPGS-LLVKDONJSA-N 1 2 283.397 1.619 20 30 CDEDLO C#CC[N@H+](C)CC1=CS[C@H](N)N1C(=O)OC(C)(C)C ZINC001208649951 940365934 /nfs/dbraw/zinc/36/59/34/940365934.db2.gz KMDRFPQKRWMPGS-LLVKDONJSA-N 1 2 283.397 1.619 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)CSC(C)C)[C@H]2C1 ZINC001217330823 940990456 /nfs/dbraw/zinc/99/04/56/940990456.db2.gz DHTQHVUWLDCKFU-UONOGXRCSA-N 1 2 296.436 1.063 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)CSC(C)C)[C@H]2C1 ZINC001217330823 940990459 /nfs/dbraw/zinc/99/04/59/940990459.db2.gz DHTQHVUWLDCKFU-UONOGXRCSA-N 1 2 296.436 1.063 20 30 CDEDLO Cc1ccc(C[N@@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(N)=O)cc1C#N ZINC001276990535 941784496 /nfs/dbraw/zinc/78/44/96/941784496.db2.gz UUCMTHASULIZJC-JJXSEGSLSA-N 1 2 299.374 1.066 20 30 CDEDLO Cc1ccc(C[N@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(N)=O)cc1C#N ZINC001276990535 941784498 /nfs/dbraw/zinc/78/44/98/941784498.db2.gz UUCMTHASULIZJC-JJXSEGSLSA-N 1 2 299.374 1.066 20 30 CDEDLO Cc1cc(=O)[nH]c(O[C@H](CC#N)C[N+](C)(C)C)c1C#N ZINC001226222028 941968892 /nfs/dbraw/zinc/96/88/92/941968892.db2.gz SNASOWXQSDAKBC-LLVKDONJSA-O 1 2 275.332 1.335 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Oc1ccc(C#N)cc1C#N ZINC001229036831 942410905 /nfs/dbraw/zinc/41/09/05/942410905.db2.gz WVHULDNEQZTBHP-LBPRGKRZSA-N 1 2 271.320 1.529 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(C(C)(F)F)CC1 ZINC001316601487 942420036 /nfs/dbraw/zinc/42/00/36/942420036.db2.gz CLWIJYQIDPWEEY-NSHDSACASA-N 1 2 270.323 1.588 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C(C)(F)F)CC1 ZINC001316601487 942420037 /nfs/dbraw/zinc/42/00/37/942420037.db2.gz CLWIJYQIDPWEEY-NSHDSACASA-N 1 2 270.323 1.588 20 30 CDEDLO Cc1cc(C#N)ccc1O[C@H](C)C[NH+]1CCOCC1 ZINC001230683277 942674532 /nfs/dbraw/zinc/67/45/32/942674532.db2.gz ZJTVFSGWSPVXQY-CYBMUJFWSA-N 1 2 260.337 1.966 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCc3nc(C(N)=O)ccc3C2)c1 ZINC001277478372 942756532 /nfs/dbraw/zinc/75/65/32/942756532.db2.gz HFGMASLFKHXOQG-UHFFFAOYSA-N 1 2 292.342 1.610 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCc3nc(C(N)=O)ccc3C2)c1 ZINC001277478372 942756533 /nfs/dbraw/zinc/75/65/33/942756533.db2.gz HFGMASLFKHXOQG-UHFFFAOYSA-N 1 2 292.342 1.610 20 30 CDEDLO Cc1nocc1C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231249071 942835038 /nfs/dbraw/zinc/83/50/38/942835038.db2.gz YLABUPJKYMIRKG-GWCFXTLKSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1nocc1C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231249071 942835044 /nfs/dbraw/zinc/83/50/44/942835044.db2.gz YLABUPJKYMIRKG-GWCFXTLKSA-N 1 2 276.340 1.175 20 30 CDEDLO N#Cc1cc[nH]c1CN1CC[NH+](Cc2ccco2)CC1 ZINC001233045076 943473218 /nfs/dbraw/zinc/47/32/18/943473218.db2.gz PBTBRMACHJFGBD-UHFFFAOYSA-N 1 2 270.336 1.797 20 30 CDEDLO N#Cc1ccc(C[NH+]2CC(N3CCC(F)(F)C3)C2)c(O)c1 ZINC001233386958 943573678 /nfs/dbraw/zinc/57/36/78/943573678.db2.gz OQRXYQPFVYLKAX-UHFFFAOYSA-N 1 2 293.317 1.789 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc4c(cccc4F)[nH]3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233929442 943692543 /nfs/dbraw/zinc/69/25/43/943692543.db2.gz GYIMAHANXYOLJW-PEUDNIOHSA-N 1 2 289.310 1.693 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc4c(cccc4F)[nH]3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233929442 943692545 /nfs/dbraw/zinc/69/25/45/943692545.db2.gz GYIMAHANXYOLJW-PEUDNIOHSA-N 1 2 289.310 1.693 20 30 CDEDLO C[C@@H](c1cnccn1)[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234179170 943767308 /nfs/dbraw/zinc/76/73/08/943767308.db2.gz SYVZZNMQCDJCTD-ZFWWWQNUSA-N 1 2 298.390 1.484 20 30 CDEDLO C[C@@H](c1cnccn1)[N@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234179170 943767316 /nfs/dbraw/zinc/76/73/16/943767316.db2.gz SYVZZNMQCDJCTD-ZFWWWQNUSA-N 1 2 298.390 1.484 20 30 CDEDLO Cn1c(C#N)ccc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001362215824 971026057 /nfs/dbraw/zinc/02/60/57/971026057.db2.gz VDWJHXWRTJZFOG-NSHDSACASA-N 1 2 283.335 1.640 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c(F)cc1F ZINC001237526039 944824636 /nfs/dbraw/zinc/82/46/36/944824636.db2.gz YKEDVCRESKZJDI-RISCZKNCSA-N 1 2 282.290 1.012 20 30 CDEDLO N#Cc1cc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c(F)cc1F ZINC001237526039 944824639 /nfs/dbraw/zinc/82/46/39/944824639.db2.gz YKEDVCRESKZJDI-RISCZKNCSA-N 1 2 282.290 1.012 20 30 CDEDLO COC(C[N@H+](C)Cc1cn2cc(C#N)ccc2n1)OC ZINC001237607326 944880709 /nfs/dbraw/zinc/88/07/09/944880709.db2.gz VRNLKMXEUADWQX-UHFFFAOYSA-N 1 2 274.324 1.257 20 30 CDEDLO COC(C[N@@H+](C)Cc1cn2cc(C#N)ccc2n1)OC ZINC001237607326 944880715 /nfs/dbraw/zinc/88/07/15/944880715.db2.gz VRNLKMXEUADWQX-UHFFFAOYSA-N 1 2 274.324 1.257 20 30 CDEDLO CCCCCCCOC(=O)N1CC[NH2+]C[C@H]1C(=O)OC ZINC001239329010 945415713 /nfs/dbraw/zinc/41/57/13/945415713.db2.gz QJJCNQQULTUNIZ-LBPRGKRZSA-N 1 2 286.372 1.540 20 30 CDEDLO CCOC(=O)c1noc(C[NH2+][C@@H]2CC[C@H](C#N)C2)n1 ZINC001254645187 947568362 /nfs/dbraw/zinc/56/83/62/947568362.db2.gz ASMMGINZXZZSHQ-DTWKUNHWSA-N 1 2 264.285 1.028 20 30 CDEDLO CCOC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CC[C@@H](C#N)C2)cn1 ZINC001254655092 947575512 /nfs/dbraw/zinc/57/55/12/947575512.db2.gz YNTXQMIQCZKMCL-WXHSDQCUSA-N 1 2 276.340 1.181 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001255172368 947764175 /nfs/dbraw/zinc/76/41/75/947764175.db2.gz OCVXSVAHBFMKPI-ZIAGYGMSSA-N 1 2 279.384 1.392 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001255172368 947764178 /nfs/dbraw/zinc/76/41/78/947764178.db2.gz OCVXSVAHBFMKPI-ZIAGYGMSSA-N 1 2 279.384 1.392 20 30 CDEDLO C=CC[C@@H]([NH2+][C@@H]1CC[C@@H](C(=O)OCC)C1)C(=O)OC ZINC001257041719 948494585 /nfs/dbraw/zinc/49/45/85/948494585.db2.gz VAMXSWILGLDHGM-IJLUTSLNSA-N 1 2 269.341 1.426 20 30 CDEDLO C=C[C@@H]1C[C@]1([NH2+]C1CCC(C(=O)OC)CC1)C(=O)OCC ZINC001257857702 948642606 /nfs/dbraw/zinc/64/26/06/948642606.db2.gz WXJSTFJWSFVBJO-AZGFUHLJSA-N 1 2 295.379 1.816 20 30 CDEDLO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](C#N)C1 ZINC001251696978 950762953 /nfs/dbraw/zinc/76/29/53/950762953.db2.gz OIHXJTIKVNJCOE-KGLIPLIRSA-N 1 2 260.337 1.580 20 30 CDEDLO Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](C#N)C1 ZINC001251696978 950762966 /nfs/dbraw/zinc/76/29/66/950762966.db2.gz OIHXJTIKVNJCOE-KGLIPLIRSA-N 1 2 260.337 1.580 20 30 CDEDLO C#CCOC[C@H](O)C[NH2+]C1(c2ccccc2Cl)COC1 ZINC001251896710 950933794 /nfs/dbraw/zinc/93/37/94/950933794.db2.gz LYUZZOCSMFOTRL-GFCCVEGCSA-N 1 2 295.766 1.166 20 30 CDEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+]C[C@@H](O)CCC ZINC001252800844 951647976 /nfs/dbraw/zinc/64/79/76/951647976.db2.gz QAWDSXSLCJIFME-STQMWFEESA-N 1 2 257.374 1.881 20 30 CDEDLO C=CCCCCCC[C@H](O)C[N@@H+]1CCO[C@H](C(=O)OC)C1 ZINC001253234329 951821536 /nfs/dbraw/zinc/82/15/36/951821536.db2.gz ZCXQCSOTTFWWMK-GJZGRUSLSA-N 1 2 299.411 1.748 20 30 CDEDLO C=CCCCCCC[C@H](O)C[N@H+]1CCO[C@H](C(=O)OC)C1 ZINC001253234329 951821543 /nfs/dbraw/zinc/82/15/43/951821543.db2.gz ZCXQCSOTTFWWMK-GJZGRUSLSA-N 1 2 299.411 1.748 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1ncc(C)cn1 ZINC001493282188 972007659 /nfs/dbraw/zinc/00/76/59/972007659.db2.gz WMDMBMYITZOPAQ-CYBMUJFWSA-N 1 2 289.383 1.273 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1ncc(C)cn1 ZINC001493282188 972007665 /nfs/dbraw/zinc/00/76/65/972007665.db2.gz WMDMBMYITZOPAQ-CYBMUJFWSA-N 1 2 289.383 1.273 20 30 CDEDLO C=CCCCNC(=O)C(=O)NCc1c[nH+]c(C)cc1C ZINC001327696247 955002484 /nfs/dbraw/zinc/00/24/84/955002484.db2.gz FQGGGLHSAOCCAN-UHFFFAOYSA-N 1 2 275.352 1.397 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[NH+](CCc2ccccc2F)CC1 ZINC001365627757 956245917 /nfs/dbraw/zinc/24/59/17/956245917.db2.gz IZWKLVKUZSFQLD-CYBMUJFWSA-N 1 2 289.354 1.672 20 30 CDEDLO C=C(C)CS(=O)(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001309894378 956659144 /nfs/dbraw/zinc/65/91/44/956659144.db2.gz VRTVFIFAZDEPOP-UHFFFAOYSA-N 1 2 257.359 1.529 20 30 CDEDLO C=C(C)CS(=O)(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001309894378 956659146 /nfs/dbraw/zinc/65/91/46/956659146.db2.gz VRTVFIFAZDEPOP-UHFFFAOYSA-N 1 2 257.359 1.529 20 30 CDEDLO C[C@@H](C#N)C(=O)NC1C[NH+](Cc2ccccc2N(C)C)C1 ZINC001494359881 972216525 /nfs/dbraw/zinc/21/65/25/972216525.db2.gz WSKLCHPHZKGFIJ-LBPRGKRZSA-N 1 2 286.379 1.213 20 30 CDEDLO C#CC[N@H+](CC1CC1)Cn1nc(C(=O)OC)c(Cl)c1C ZINC001319563424 958633586 /nfs/dbraw/zinc/63/35/86/958633586.db2.gz QQTACZCGZIUPGZ-UHFFFAOYSA-N 1 2 295.770 1.934 20 30 CDEDLO C#CC[N@@H+](CC1CC1)Cn1nc(C(=O)OC)c(Cl)c1C ZINC001319563424 958633595 /nfs/dbraw/zinc/63/35/95/958633595.db2.gz QQTACZCGZIUPGZ-UHFFFAOYSA-N 1 2 295.770 1.934 20 30 CDEDLO C=C[C@H](COC)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC001320426066 959166083 /nfs/dbraw/zinc/16/60/83/959166083.db2.gz HCEYCWWJWVDHQM-GFCCVEGCSA-N 1 2 266.345 1.116 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cncc(OC)n1 ZINC001418570640 960742493 /nfs/dbraw/zinc/74/24/93/960742493.db2.gz KBUADSTXLGPNDP-UHFFFAOYSA-N 1 2 298.774 1.289 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cncc(OC)n1 ZINC001418570640 960742512 /nfs/dbraw/zinc/74/25/12/960742512.db2.gz KBUADSTXLGPNDP-UHFFFAOYSA-N 1 2 298.774 1.289 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC2(OC)CCC2)C1 ZINC001419163254 961450687 /nfs/dbraw/zinc/45/06/87/961450687.db2.gz SHOVWKPTGJDCNU-LBPRGKRZSA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2(OC)CCC2)C1 ZINC001419163254 961450697 /nfs/dbraw/zinc/45/06/97/961450697.db2.gz SHOVWKPTGJDCNU-LBPRGKRZSA-N 1 2 286.803 1.889 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)C(C)C)n2C)CC1 ZINC001338028921 961579359 /nfs/dbraw/zinc/57/93/59/961579359.db2.gz TVGQBJUAQUAWGU-CYBMUJFWSA-N 1 2 275.400 1.330 20 30 CDEDLO C#CCN(CC#CC)c1nnc([C@@H]2CCCC[N@@H+]2C)n1C ZINC001338416740 961788605 /nfs/dbraw/zinc/78/86/05/961788605.db2.gz MHHFZIBEUFNEGB-AWEZNQCLSA-N 1 2 285.395 1.435 20 30 CDEDLO C#CCN(CC#CC)c1nnc([C@@H]2CCCC[N@H+]2C)n1C ZINC001338416740 961788613 /nfs/dbraw/zinc/78/86/13/961788613.db2.gz MHHFZIBEUFNEGB-AWEZNQCLSA-N 1 2 285.395 1.435 20 30 CDEDLO C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)c1[nH]nc2c1CCC2 ZINC001420306678 962710847 /nfs/dbraw/zinc/71/08/47/962710847.db2.gz HSYFWLWKBWLHBX-SECBINFHSA-N 1 2 282.775 1.359 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](C)c1c(C)n[nH]c1C ZINC001420313155 962725951 /nfs/dbraw/zinc/72/59/51/962725951.db2.gz GNNDUYGOMAURMZ-JTQLQIEISA-N 1 2 298.818 1.931 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](C)c1c(C)n[nH]c1C ZINC001420313155 962725965 /nfs/dbraw/zinc/72/59/65/962725965.db2.gz GNNDUYGOMAURMZ-JTQLQIEISA-N 1 2 298.818 1.931 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)CC[NH2+][C@@H](C)c1nc(C2CC2)no1 ZINC001437826165 963199508 /nfs/dbraw/zinc/19/95/08/963199508.db2.gz AXWLDKHASWIAOX-UWVGGRQHSA-N 1 2 291.355 1.216 20 30 CDEDLO Cc1cnc([C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N)o1 ZINC001438865719 963578886 /nfs/dbraw/zinc/57/88/86/963578886.db2.gz OJTYYWGDBJUHLZ-CMPLNLGQSA-N 1 2 278.356 1.594 20 30 CDEDLO Cc1cnc([C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N)o1 ZINC001438865719 963578891 /nfs/dbraw/zinc/57/88/91/963578891.db2.gz OJTYYWGDBJUHLZ-CMPLNLGQSA-N 1 2 278.356 1.594 20 30 CDEDLO N#Cc1ccc2c(c1)CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001556984711 965128749 /nfs/dbraw/zinc/12/87/49/965128749.db2.gz ABMOLZGNYOWOAT-UHFFFAOYSA-N 1 2 252.277 1.413 20 30 CDEDLO C=C(CC(C)C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001346500785 965145704 /nfs/dbraw/zinc/14/57/04/965145704.db2.gz NWMBVPYSFBPAFI-KBPBESRZSA-N 1 2 267.417 1.339 20 30 CDEDLO C=C(CC(C)C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001346500785 965145712 /nfs/dbraw/zinc/14/57/12/965145712.db2.gz NWMBVPYSFBPAFI-KBPBESRZSA-N 1 2 267.417 1.339 20 30 CDEDLO CCc1ccc([C@@H](COC)[NH2+]C[C@H](O)CC#N)o1 ZINC001354595407 968792004 /nfs/dbraw/zinc/79/20/04/968792004.db2.gz UECRWYREUFFENB-ZYHUDNBSSA-N 1 2 252.314 1.394 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)OCCOCCC#N)ccn12 ZINC000848782884 969292452 /nfs/dbraw/zinc/29/24/52/969292452.db2.gz POYXLFVBEOMGAJ-UHFFFAOYSA-N 1 2 273.292 1.730 20 30 CDEDLO C#CC1(O)CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC001519232281 970071128 /nfs/dbraw/zinc/07/11/28/970071128.db2.gz DXCIAQFVZBAGES-UHFFFAOYSA-N 1 2 298.346 1.004 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)CC(C)(C)C#N ZINC001468063289 970120116 /nfs/dbraw/zinc/12/01/16/970120116.db2.gz COLCPPFFLGDPGC-LLVKDONJSA-N 1 2 263.345 1.463 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnn2ncccc12 ZINC001371996809 972735794 /nfs/dbraw/zinc/73/57/94/972735794.db2.gz RRMRKBZCJSWCRN-UHFFFAOYSA-N 1 2 293.758 1.143 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnn2ncccc12 ZINC001371996809 972735802 /nfs/dbraw/zinc/73/58/02/972735802.db2.gz RRMRKBZCJSWCRN-UHFFFAOYSA-N 1 2 293.758 1.143 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1nn(CC)nc1C ZINC001374559500 974022240 /nfs/dbraw/zinc/02/22/40/974022240.db2.gz IEBKNDRDXKUCOK-UHFFFAOYSA-N 1 2 299.806 1.363 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1nn(CC)nc1C ZINC001374559500 974022252 /nfs/dbraw/zinc/02/22/52/974022252.db2.gz IEBKNDRDXKUCOK-UHFFFAOYSA-N 1 2 299.806 1.363 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)Cn2ccnc2C)C1 ZINC001377481356 975044537 /nfs/dbraw/zinc/04/45/37/975044537.db2.gz WBPQBUMKDBOWCP-CYBMUJFWSA-N 1 2 296.802 1.382 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)Cn2ccnc2C)C1 ZINC001377481356 975044542 /nfs/dbraw/zinc/04/45/42/975044542.db2.gz WBPQBUMKDBOWCP-CYBMUJFWSA-N 1 2 296.802 1.382 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2(COC)CC2)C1 ZINC001378160709 975265006 /nfs/dbraw/zinc/26/50/06/975265006.db2.gz SIODQHAFIJZVOR-GFCCVEGCSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(COC)CC2)C1 ZINC001378160709 975265013 /nfs/dbraw/zinc/26/50/13/975265013.db2.gz SIODQHAFIJZVOR-GFCCVEGCSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ncc(OC)cn1 ZINC001401759682 975886677 /nfs/dbraw/zinc/88/66/77/975886677.db2.gz JOYSUCUWFASXEC-JTQLQIEISA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ncc(OC)cn1 ZINC001401759682 975886682 /nfs/dbraw/zinc/88/66/82/975886682.db2.gz JOYSUCUWFASXEC-JTQLQIEISA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1[nH]c(=O)[nH]c1C ZINC001379690918 976014456 /nfs/dbraw/zinc/01/44/56/976014456.db2.gz NPZZPEXTKLPVRE-MRVPVSSYSA-N 1 2 286.763 1.226 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1[nH]c(=O)[nH]c1C ZINC001379690918 976014464 /nfs/dbraw/zinc/01/44/64/976014464.db2.gz NPZZPEXTKLPVRE-MRVPVSSYSA-N 1 2 286.763 1.226 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCc1ccncn1 ZINC001399480801 976517373 /nfs/dbraw/zinc/51/73/73/976517373.db2.gz GIAVZSZMDKXDLM-UHFFFAOYSA-N 1 2 282.775 1.210 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCc1ccncn1 ZINC001399480801 976517381 /nfs/dbraw/zinc/51/73/81/976517381.db2.gz GIAVZSZMDKXDLM-UHFFFAOYSA-N 1 2 282.775 1.210 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCc1nccn1C ZINC001399546137 976556785 /nfs/dbraw/zinc/55/67/85/976556785.db2.gz SQRRYQKTRPRWGW-UHFFFAOYSA-N 1 2 284.791 1.153 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCc1nccn1C ZINC001399546137 976556793 /nfs/dbraw/zinc/55/67/93/976556793.db2.gz SQRRYQKTRPRWGW-UHFFFAOYSA-N 1 2 284.791 1.153 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnc(OCC)cn1 ZINC001399663253 976630320 /nfs/dbraw/zinc/63/03/20/976630320.db2.gz BNTQZBJAMPKKLI-UHFFFAOYSA-N 1 2 298.774 1.289 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnc(OCC)cn1 ZINC001399663253 976630325 /nfs/dbraw/zinc/63/03/25/976630325.db2.gz BNTQZBJAMPKKLI-UHFFFAOYSA-N 1 2 298.774 1.289 20 30 CDEDLO CC(=O)NCC[N@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001399982056 976786252 /nfs/dbraw/zinc/78/62/52/976786252.db2.gz YGVAPBHAMRRXEV-UHFFFAOYSA-N 1 2 275.327 1.798 20 30 CDEDLO CC(=O)NCC[N@@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001399982056 976786256 /nfs/dbraw/zinc/78/62/56/976786256.db2.gz YGVAPBHAMRRXEV-UHFFFAOYSA-N 1 2 275.327 1.798 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+][C@@H](C)c1nc(C2CC2)no1 ZINC001132398936 1163266434 /nfs/dbraw/zinc/26/64/34/1163266434.db2.gz VKAFOCULRXLCEH-JTQLQIEISA-N 1 2 292.383 1.926 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001132653617 1163415749 /nfs/dbraw/zinc/41/57/49/1163415749.db2.gz PTFWEPRBUREQCC-NSHDSACASA-N 1 2 280.372 1.440 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NCC[NH2+]Cc1nonc1C ZINC001132650869 1163425170 /nfs/dbraw/zinc/42/51/70/1163425170.db2.gz PJPPKVRRQYNDAG-JTQLQIEISA-N 1 2 266.345 1.186 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001132663241 1163430105 /nfs/dbraw/zinc/43/01/05/1163430105.db2.gz SKXZUSYDILEGBJ-MNOVXSKESA-N 1 2 280.372 1.747 20 30 CDEDLO CC1(C)C(=O)N(C[NH+]2CCC(C#N)CC2)[C@H]1[C@@H]1CCCO1 ZINC000811740394 1163527435 /nfs/dbraw/zinc/52/74/35/1163527435.db2.gz VLFQVIUBVCYNBY-KBPBESRZSA-N 1 2 291.395 1.595 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+]Cc1nc(CCC)no1 ZINC001133154900 1163586333 /nfs/dbraw/zinc/58/63/33/1163586333.db2.gz VWNKIEBFJYSSFE-UHFFFAOYSA-N 1 2 280.372 1.584 20 30 CDEDLO C=C1CCC(C(=O)NCC[NH2+]Cc2ncc(C)o2)CC1 ZINC001133368749 1163658187 /nfs/dbraw/zinc/65/81/87/1163658187.db2.gz FRAGBFQSOUQSHM-UHFFFAOYSA-N 1 2 277.368 1.935 20 30 CDEDLO CNc1cc2c(nn1)CC[N@H+](Cc1ccccc1C#N)C2 ZINC000609258469 342098972 /nfs/dbraw/zinc/09/89/72/342098972.db2.gz YAOKGIFCXQBOCV-UHFFFAOYSA-N 1 2 279.347 1.370 20 30 CDEDLO CNc1cc2c(nn1)CC[N@@H+](Cc1ccccc1C#N)C2 ZINC000609258469 342098973 /nfs/dbraw/zinc/09/89/73/342098973.db2.gz YAOKGIFCXQBOCV-UHFFFAOYSA-N 1 2 279.347 1.370 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H]1CCOC1 ZINC000083243434 178367958 /nfs/dbraw/zinc/36/79/58/178367958.db2.gz CBGUFRDSMXNMQL-ZFWWWQNUSA-N 1 2 288.347 1.741 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCOC1 ZINC000083243434 178367959 /nfs/dbraw/zinc/36/79/59/178367959.db2.gz CBGUFRDSMXNMQL-ZFWWWQNUSA-N 1 2 288.347 1.741 20 30 CDEDLO Cc1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)c(C#N)cn1 ZINC000591822462 342647567 /nfs/dbraw/zinc/64/75/67/342647567.db2.gz ZJXWTTIUSKQOHK-AWEZNQCLSA-N 1 2 279.347 1.769 20 30 CDEDLO CCCCc1noc([C@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592146107 342673181 /nfs/dbraw/zinc/67/31/81/342673181.db2.gz DDCMXBBJCWSUHQ-FZMZJTMJSA-N 1 2 278.356 1.824 20 30 CDEDLO CCCCc1noc([C@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592146107 342673182 /nfs/dbraw/zinc/67/31/82/342673182.db2.gz DDCMXBBJCWSUHQ-FZMZJTMJSA-N 1 2 278.356 1.824 20 30 CDEDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152102 342669132 /nfs/dbraw/zinc/66/91/32/342669132.db2.gz UFVILNXDBRFCIL-GWCFXTLKSA-N 1 2 254.330 1.067 20 30 CDEDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152102 342669133 /nfs/dbraw/zinc/66/91/33/342669133.db2.gz UFVILNXDBRFCIL-GWCFXTLKSA-N 1 2 254.330 1.067 20 30 CDEDLO CCn1nc(C[NH+]2CCN(CC#N)CC2)c2ccccc21 ZINC000089174651 342163320 /nfs/dbraw/zinc/16/33/20/342163320.db2.gz UZNACPPCPAQXQP-UHFFFAOYSA-N 1 2 283.379 1.697 20 30 CDEDLO CC(C)C[C@H](CNC(=O)[C@]1(C#N)C[C@@H]1C)[NH+]1CCOCC1 ZINC000448634893 361859228 /nfs/dbraw/zinc/85/92/28/361859228.db2.gz WSANBKMINJNTRK-LZWOXQAQSA-N 1 2 293.411 1.399 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440459796 361875973 /nfs/dbraw/zinc/87/59/73/361875973.db2.gz JOZCHYZSHDVGLR-UHFFFAOYSA-N 1 2 262.357 1.334 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440459796 361875979 /nfs/dbraw/zinc/87/59/79/361875979.db2.gz JOZCHYZSHDVGLR-UHFFFAOYSA-N 1 2 262.357 1.334 20 30 CDEDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000593660533 342819684 /nfs/dbraw/zinc/81/96/84/342819684.db2.gz IRYXCOFSCRAJQX-CQSZACIVSA-N 1 2 299.378 1.990 20 30 CDEDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000593660533 342819685 /nfs/dbraw/zinc/81/96/85/342819685.db2.gz IRYXCOFSCRAJQX-CQSZACIVSA-N 1 2 299.378 1.990 20 30 CDEDLO CC[NH+]1CCN(S(=O)(=O)c2cc(C#N)ccc2C)CC1 ZINC000070431871 361963460 /nfs/dbraw/zinc/96/34/60/361963460.db2.gz OJXOWVPKLUFKGJ-UHFFFAOYSA-N 1 2 293.392 1.193 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(OCC#N)c1 ZINC000048509384 342233075 /nfs/dbraw/zinc/23/30/75/342233075.db2.gz XMGZVOZEBKUXJY-LBPRGKRZSA-N 1 2 299.334 1.996 20 30 CDEDLO C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ncc[nH]1 ZINC000595400683 343048730 /nfs/dbraw/zinc/04/87/30/343048730.db2.gz ZLJRPLIRWUNFOP-UHFFFAOYSA-N 1 2 283.335 1.742 20 30 CDEDLO C[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ncc[nH]1 ZINC000595400683 343048732 /nfs/dbraw/zinc/04/87/32/343048732.db2.gz ZLJRPLIRWUNFOP-UHFFFAOYSA-N 1 2 283.335 1.742 20 30 CDEDLO C[N@H+](CCCCC(C)(C)C#N)Cc1n[nH]c(=O)o1 ZINC000595547927 343084669 /nfs/dbraw/zinc/08/46/69/343084669.db2.gz ULAWDEHXTNHCJG-UHFFFAOYSA-N 1 2 252.318 1.927 20 30 CDEDLO C[N@@H+](CCCCC(C)(C)C#N)Cc1n[nH]c(=O)o1 ZINC000595547927 343084671 /nfs/dbraw/zinc/08/46/71/343084671.db2.gz ULAWDEHXTNHCJG-UHFFFAOYSA-N 1 2 252.318 1.927 20 30 CDEDLO C[C@@H](c1ccccc1Cl)[N@H+](C)CC(=O)NCC#N ZINC000076669107 342322985 /nfs/dbraw/zinc/32/29/85/342322985.db2.gz KNSONXIDKWZFKL-JTQLQIEISA-N 1 2 265.744 1.973 20 30 CDEDLO C[C@@H](c1ccccc1Cl)[N@@H+](C)CC(=O)NCC#N ZINC000076669107 342322986 /nfs/dbraw/zinc/32/29/86/342322986.db2.gz KNSONXIDKWZFKL-JTQLQIEISA-N 1 2 265.744 1.973 20 30 CDEDLO Cn1cc(N2CC[C@H]([N@@H+]3CCC[C@@H](CC#N)C3)C2=O)cn1 ZINC000595616571 343110085 /nfs/dbraw/zinc/11/00/85/343110085.db2.gz UYPITMRKFLQSDT-JSGCOSHPSA-N 1 2 287.367 1.151 20 30 CDEDLO Cn1cc(N2CC[C@H]([N@H+]3CCC[C@@H](CC#N)C3)C2=O)cn1 ZINC000595616571 343110087 /nfs/dbraw/zinc/11/00/87/343110087.db2.gz UYPITMRKFLQSDT-JSGCOSHPSA-N 1 2 287.367 1.151 20 30 CDEDLO N#Cc1sccc1N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000595629122 343113098 /nfs/dbraw/zinc/11/30/98/343113098.db2.gz CPXALLJQHSCKLI-UHFFFAOYSA-N 1 2 273.365 1.665 20 30 CDEDLO N#Cc1sccc1N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000595629122 343113100 /nfs/dbraw/zinc/11/31/00/343113100.db2.gz CPXALLJQHSCKLI-UHFFFAOYSA-N 1 2 273.365 1.665 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(O)(CO)CC1 ZINC000595731251 343133803 /nfs/dbraw/zinc/13/38/03/343133803.db2.gz CUHLNQNWQPVAHI-UHFFFAOYSA-N 1 2 280.755 1.531 20 30 CDEDLO Cn1ncc(C#N)c1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000596112017 343230330 /nfs/dbraw/zinc/23/03/30/343230330.db2.gz HIFUHIOBBMLBIM-LBPRGKRZSA-N 1 2 256.313 1.330 20 30 CDEDLO N#CC1(CC(=O)NCC[NH+]2CCOCC2)CCCCC1 ZINC000596626930 343360240 /nfs/dbraw/zinc/36/02/40/343360240.db2.gz RVJNSYAOQWPQHR-UHFFFAOYSA-N 1 2 279.384 1.299 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000051917373 362202122 /nfs/dbraw/zinc/20/21/22/362202122.db2.gz RQDOQXIHQJJPNH-UHFFFAOYSA-N 1 2 276.767 1.660 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NC(=O)CC(C)(C)C#N)C(C)(C)CO ZINC000597847167 343652649 /nfs/dbraw/zinc/65/26/49/343652649.db2.gz ODNZGUMCIKGGIV-LBPRGKRZSA-N 1 2 292.383 1.536 20 30 CDEDLO N#Cc1ccc(CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000597891373 343659786 /nfs/dbraw/zinc/65/97/86/343659786.db2.gz ZOPPRAUYJOZZAX-HNNXBMFYSA-N 1 2 294.358 1.676 20 30 CDEDLO N#Cc1ccc(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000597895047 343660356 /nfs/dbraw/zinc/66/03/56/343660356.db2.gz ZHHMPYDKSDASKJ-OAHLLOKOSA-N 1 2 294.358 1.676 20 30 CDEDLO Cc1[nH]c(CN2CCN(c3cnccc3C#N)CC2)[nH+]c1C ZINC000600161995 349838901 /nfs/dbraw/zinc/83/89/01/349838901.db2.gz OAWKAMDTAFZBHZ-UHFFFAOYSA-N 1 2 296.378 1.615 20 30 CDEDLO CC[C@](C)(C#N)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000597993199 343683298 /nfs/dbraw/zinc/68/32/98/343683298.db2.gz DHKHTWUJLDQWSO-SGMGOOAPSA-N 1 2 267.373 1.152 20 30 CDEDLO CC[C@](C)(C#N)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000597993199 343683299 /nfs/dbraw/zinc/68/32/99/343683299.db2.gz DHKHTWUJLDQWSO-SGMGOOAPSA-N 1 2 267.373 1.152 20 30 CDEDLO C[N@H+](CC(=O)NCC1CCCCC1)[C@@H]1COC[C@H]1O ZINC000329197201 529819412 /nfs/dbraw/zinc/81/94/12/529819412.db2.gz VCDXBSITBZGMGT-CHWSQXEVSA-N 1 2 270.373 1.215 20 30 CDEDLO C[N@@H+](CC(=O)NCC1CCCCC1)[C@@H]1COC[C@H]1O ZINC000329197201 529819414 /nfs/dbraw/zinc/81/94/14/529819414.db2.gz VCDXBSITBZGMGT-CHWSQXEVSA-N 1 2 270.373 1.215 20 30 CDEDLO C[C@H](C#N)N(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000598130069 343722035 /nfs/dbraw/zinc/72/20/35/343722035.db2.gz NKPSGHKIGYERPW-MNOVXSKESA-N 1 2 258.325 1.349 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCc1cccnc1 ZINC000598837909 343915209 /nfs/dbraw/zinc/91/52/09/343915209.db2.gz ZZZXKFANEUTIPJ-HNNXBMFYSA-N 1 2 274.368 1.364 20 30 CDEDLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000331808536 362339750 /nfs/dbraw/zinc/33/97/50/362339750.db2.gz GFOWTTYFAJNAIK-GJZGRUSLSA-N 1 2 279.384 1.296 20 30 CDEDLO CC[C@@]1(C)COCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000331808536 362339755 /nfs/dbraw/zinc/33/97/55/362339755.db2.gz GFOWTTYFAJNAIK-GJZGRUSLSA-N 1 2 279.384 1.296 20 30 CDEDLO N#Cc1cccc(CC(=O)N2CCc3[nH]c[nH+]c3C2)c1 ZINC000599951157 344156822 /nfs/dbraw/zinc/15/68/22/344156822.db2.gz ALWWIYIXGDLRJN-UHFFFAOYSA-N 1 2 266.304 1.409 20 30 CDEDLO N#Cc1cccc(CC(=O)N2CCc3[nH+]c[nH]c3C2)c1 ZINC000599951157 344156826 /nfs/dbraw/zinc/15/68/26/344156826.db2.gz ALWWIYIXGDLRJN-UHFFFAOYSA-N 1 2 266.304 1.409 20 30 CDEDLO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000602332429 344402190 /nfs/dbraw/zinc/40/21/90/344402190.db2.gz JYHAKXWFGQBCSX-YCGPCKTQSA-N 1 2 267.373 1.006 20 30 CDEDLO C=CCOC[C@@H]([NH2+]CC1CCSCC1)C(=O)OC ZINC000602644221 344513534 /nfs/dbraw/zinc/51/35/34/344513534.db2.gz LBYFGSRPOUDAKA-GFCCVEGCSA-N 1 2 273.398 1.463 20 30 CDEDLO C=CCC[C@H]([NH2+]C[C@]1(OC)CCOC1)C(=O)OCC ZINC000602679108 344527521 /nfs/dbraw/zinc/52/75/21/344527521.db2.gz BJZOJTBILUKYIX-GXTWGEPZSA-N 1 2 271.357 1.279 20 30 CDEDLO C=CCC[C@H]([NH2+]Cc1ccc(=O)[nH]c1)C(=O)OCC ZINC000602680893 344528336 /nfs/dbraw/zinc/52/83/36/344528336.db2.gz MNQFXIWEXRDHDG-LBPRGKRZSA-N 1 2 264.325 1.775 20 30 CDEDLO C[C@]1(C#N)CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000612157773 347061272 /nfs/dbraw/zinc/06/12/72/347061272.db2.gz CGMMCQXWINGZTJ-NVXWUHKLSA-N 1 2 299.374 1.924 20 30 CDEDLO C[C@]1(C#N)CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000612157773 347061274 /nfs/dbraw/zinc/06/12/74/347061274.db2.gz CGMMCQXWINGZTJ-NVXWUHKLSA-N 1 2 299.374 1.924 20 30 CDEDLO Cn1cc[nH+]c1CNc1ccc2cc(C#N)ccc2n1 ZINC000536986717 282348934 /nfs/dbraw/zinc/34/89/34/282348934.db2.gz VWCNDTKICANHTA-UHFFFAOYSA-N 1 2 263.304 1.874 20 30 CDEDLO CCOC(=O)C1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)CC#N)CC1 ZINC000602861094 344616586 /nfs/dbraw/zinc/61/65/86/344616586.db2.gz FGDKHOIENBCWBJ-VXGBXAGGSA-N 1 2 295.383 1.068 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCc1cccc(Cl)c1 ZINC000602863669 344622290 /nfs/dbraw/zinc/62/22/90/344622290.db2.gz PCLQSAHBOTTXAY-SNVBAGLBSA-N 1 2 265.744 1.848 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccn2)C1 ZINC000602883660 344634029 /nfs/dbraw/zinc/63/40/29/344634029.db2.gz KIXWKKXVXFFWHJ-GFCCVEGCSA-N 1 2 258.325 1.646 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccn2)C1 ZINC000602883660 344634030 /nfs/dbraw/zinc/63/40/30/344634030.db2.gz KIXWKKXVXFFWHJ-GFCCVEGCSA-N 1 2 258.325 1.646 20 30 CDEDLO COC(=O)c1cc(C[NH2+][C@H](C)CC#N)cc(C(=O)OC)c1 ZINC000602868012 344639484 /nfs/dbraw/zinc/63/94/84/344639484.db2.gz GWUIAUGRPFXVNI-SNVBAGLBSA-N 1 2 290.319 1.652 20 30 CDEDLO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N)c1 ZINC000602869057 344640146 /nfs/dbraw/zinc/64/01/46/344640146.db2.gz LWWXDWSOQFWCBP-QWRGUYRKSA-N 1 2 288.351 1.265 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@H]1CCN(c2sccc2C#N)C1=O ZINC000602870844 344640923 /nfs/dbraw/zinc/64/09/23/344640923.db2.gz XTBDECPXKJZENZ-ONGXEEELSA-N 1 2 274.349 1.617 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1sccc1C#N ZINC000052035371 345226860 /nfs/dbraw/zinc/22/68/60/345226860.db2.gz DOSOQKASWJOOSO-VIFPVBQESA-N 1 2 260.322 1.635 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)ccn1 ZINC000403995440 346181187 /nfs/dbraw/zinc/18/11/87/346181187.db2.gz KJNGQORZDIEGAT-NSHDSACASA-N 1 2 267.279 1.403 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)ccn1 ZINC000403995440 346181188 /nfs/dbraw/zinc/18/11/88/346181188.db2.gz KJNGQORZDIEGAT-NSHDSACASA-N 1 2 267.279 1.403 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)cc1 ZINC000295134382 199364919 /nfs/dbraw/zinc/36/49/19/199364919.db2.gz YXQGSXXBEANKGI-LBPRGKRZSA-N 1 2 258.321 1.019 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CC(=O)N[C@@H](C)C2)cc1 ZINC000295134382 199364921 /nfs/dbraw/zinc/36/49/21/199364921.db2.gz YXQGSXXBEANKGI-LBPRGKRZSA-N 1 2 258.321 1.019 20 30 CDEDLO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611175135 346629330 /nfs/dbraw/zinc/62/93/30/346629330.db2.gz XIGLRSUGZRNWTL-OAHLLOKOSA-N 1 2 292.427 1.309 20 30 CDEDLO CC[N@H+](CC(=O)N(C)C)Cc1ccc(C#N)s1 ZINC000611254579 346721355 /nfs/dbraw/zinc/72/13/55/346721355.db2.gz QXSBXNFTDZXKBJ-UHFFFAOYSA-N 1 2 251.355 1.530 20 30 CDEDLO CC[N@@H+](CC(=O)N(C)C)Cc1ccc(C#N)s1 ZINC000611254579 346721356 /nfs/dbraw/zinc/72/13/56/346721356.db2.gz QXSBXNFTDZXKBJ-UHFFFAOYSA-N 1 2 251.355 1.530 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)N(C)Cc1[nH]cc[nH+]1 ZINC000611191045 346684775 /nfs/dbraw/zinc/68/47/75/346684775.db2.gz AJUSWKPYPFINQK-LLVKDONJSA-N 1 2 283.335 1.740 20 30 CDEDLO Cc1cccn2cc(CCNC(=O)c3c[nH]c(C#N)c3)[nH+]c12 ZINC000611472275 346796704 /nfs/dbraw/zinc/79/67/04/346796704.db2.gz SQGSOZKQAUQOHX-UHFFFAOYSA-N 1 2 293.330 1.815 20 30 CDEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@]2(C#N)C[C@@H]2C)CC1 ZINC000449868569 362777036 /nfs/dbraw/zinc/77/70/36/362777036.db2.gz IWYAIKQVBPVYDQ-VBQJREDUSA-N 1 2 298.390 1.837 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1nnc(C(C)C)s1 ZINC000491251991 347579839 /nfs/dbraw/zinc/57/98/39/347579839.db2.gz DPOHCLQXOTVOTB-SECBINFHSA-N 1 2 266.370 1.554 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1nnc(C(C)C)s1 ZINC000491251991 347579843 /nfs/dbraw/zinc/57/98/43/347579843.db2.gz DPOHCLQXOTVOTB-SECBINFHSA-N 1 2 266.370 1.554 20 30 CDEDLO N#CCC[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000614221072 348042852 /nfs/dbraw/zinc/04/28/52/348042852.db2.gz VHCXDXZCXCZZCO-UHFFFAOYSA-N 1 2 259.357 1.707 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(C#N)c(F)c1 ZINC000414142182 362923471 /nfs/dbraw/zinc/92/34/71/362923471.db2.gz MRZHKLMZFSZITF-GFCCVEGCSA-N 1 2 277.299 1.283 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(C#N)c(F)c1 ZINC000414142182 362923472 /nfs/dbraw/zinc/92/34/72/362923472.db2.gz MRZHKLMZFSZITF-GFCCVEGCSA-N 1 2 277.299 1.283 20 30 CDEDLO Cc1ccc([N+](=O)[O-])c(OC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000414138880 362923500 /nfs/dbraw/zinc/92/35/00/362923500.db2.gz KIYBPFHLPNDCDK-GFCCVEGCSA-N 1 2 293.323 1.488 20 30 CDEDLO Cc1ccc([N+](=O)[O-])c(OC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414138880 362923504 /nfs/dbraw/zinc/92/35/04/362923504.db2.gz KIYBPFHLPNDCDK-GFCCVEGCSA-N 1 2 293.323 1.488 20 30 CDEDLO CC(=O)c1ccc(C)cc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414134175 362923711 /nfs/dbraw/zinc/92/37/11/362923711.db2.gz HAOLGUNCSQQJPA-AWEZNQCLSA-N 1 2 290.363 1.783 20 30 CDEDLO CC(=O)c1ccc(C)cc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414134175 362923715 /nfs/dbraw/zinc/92/37/15/362923715.db2.gz HAOLGUNCSQQJPA-AWEZNQCLSA-N 1 2 290.363 1.783 20 30 CDEDLO CC(C)OCCCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000564872918 348445709 /nfs/dbraw/zinc/44/57/09/348445709.db2.gz YRGQSGJEJPDYGO-CYBMUJFWSA-N 1 2 255.362 1.152 20 30 CDEDLO CC[C@H](NC(=O)c1cc(O)cc(C#N)c1)c1[nH]cc[nH+]1 ZINC000615434949 348508616 /nfs/dbraw/zinc/50/86/16/348508616.db2.gz WFBNEQXQTSDAOV-LBPRGKRZSA-N 1 2 270.292 1.868 20 30 CDEDLO C[C@]1(C#N)CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000615789711 348723976 /nfs/dbraw/zinc/72/39/76/348723976.db2.gz HJSGGNNDDARFBH-IUODEOHRSA-N 1 2 272.352 1.598 20 30 CDEDLO CCn1cc(C[N@H+](C)[C@H](C)C(=O)N(C)CCC#N)cn1 ZINC000072982876 349143915 /nfs/dbraw/zinc/14/39/15/349143915.db2.gz WYAQWGDQSPXUAS-GFCCVEGCSA-N 1 2 277.372 1.095 20 30 CDEDLO CCn1cc(C[N@@H+](C)[C@H](C)C(=O)N(C)CCC#N)cn1 ZINC000072982876 349143918 /nfs/dbraw/zinc/14/39/18/349143918.db2.gz WYAQWGDQSPXUAS-GFCCVEGCSA-N 1 2 277.372 1.095 20 30 CDEDLO C=C[C@](C)(O)C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000616195437 349340453 /nfs/dbraw/zinc/34/04/53/349340453.db2.gz ZWYNLFORKVHMKE-NSHDSACASA-N 1 2 255.343 1.080 20 30 CDEDLO Cc1cc(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)ncc1C#N ZINC000603121340 350211740 /nfs/dbraw/zinc/21/17/40/350211740.db2.gz TXNXBIWODDIEON-NSHDSACASA-N 1 2 284.323 1.090 20 30 CDEDLO C[N@H+](CCn1cccn1)CC(=O)Nc1sccc1C#N ZINC000111284327 186389767 /nfs/dbraw/zinc/38/97/67/186389767.db2.gz GSSPJSNESVTPKP-UHFFFAOYSA-N 1 2 289.364 1.387 20 30 CDEDLO C[N@@H+](CCn1cccn1)CC(=O)Nc1sccc1C#N ZINC000111284327 186389769 /nfs/dbraw/zinc/38/97/69/186389769.db2.gz GSSPJSNESVTPKP-UHFFFAOYSA-N 1 2 289.364 1.387 20 30 CDEDLO COC(=O)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000123650785 187103172 /nfs/dbraw/zinc/10/31/72/187103172.db2.gz BKWBXCKYYYEQLH-BXUZGUMPSA-N 1 2 274.320 1.321 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000123650785 187103173 /nfs/dbraw/zinc/10/31/73/187103173.db2.gz BKWBXCKYYYEQLH-BXUZGUMPSA-N 1 2 274.320 1.321 20 30 CDEDLO C#CC[N@@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C)C1CC1 ZINC000274174065 192473547 /nfs/dbraw/zinc/47/35/47/192473547.db2.gz ODBRVTQIULKILS-GXTWGEPZSA-N 1 2 291.395 1.489 20 30 CDEDLO C#CC[N@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C)C1CC1 ZINC000274174065 192473550 /nfs/dbraw/zinc/47/35/50/192473550.db2.gz ODBRVTQIULKILS-GXTWGEPZSA-N 1 2 291.395 1.489 20 30 CDEDLO Cc1ncccc1/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000493183035 366196008 /nfs/dbraw/zinc/19/60/08/366196008.db2.gz FGDOQNOFVPAMJL-KIUWMYQTSA-N 1 2 272.352 1.363 20 30 CDEDLO C=CCN(CCC#N)C(=O)/C=C/c1[nH+]ccn1CC ZINC000493187107 366196871 /nfs/dbraw/zinc/19/68/71/366196871.db2.gz IJBFRXHFDNTMSU-VOTSOKGWSA-N 1 2 258.325 1.844 20 30 CDEDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000160114761 412605889 /nfs/dbraw/zinc/60/58/89/412605889.db2.gz DMEGRSQHSZCVPC-OAHLLOKOSA-N 1 2 274.339 1.634 20 30 CDEDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000160114761 412605894 /nfs/dbraw/zinc/60/58/94/412605894.db2.gz DMEGRSQHSZCVPC-OAHLLOKOSA-N 1 2 274.339 1.634 20 30 CDEDLO Cn1cnc2c(c1=O)CC[N@H+](Cc1ccc(C#N)s1)C2 ZINC000577960812 356100375 /nfs/dbraw/zinc/10/03/75/356100375.db2.gz ZBHZJZTWBYRDEF-UHFFFAOYSA-N 1 2 286.360 1.272 20 30 CDEDLO Cn1cnc2c(c1=O)CC[N@@H+](Cc1ccc(C#N)s1)C2 ZINC000577960812 356100382 /nfs/dbraw/zinc/10/03/82/356100382.db2.gz ZBHZJZTWBYRDEF-UHFFFAOYSA-N 1 2 286.360 1.272 20 30 CDEDLO C=C[C@@](C)(O)C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000666532667 482760082 /nfs/dbraw/zinc/76/00/82/482760082.db2.gz DWUGOYTUTMZLOV-OAHLLOKOSA-N 1 2 277.368 1.481 20 30 CDEDLO CCOCCOC1C[NH+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000273707708 192271124 /nfs/dbraw/zinc/27/11/24/192271124.db2.gz PFRJNKLCRGTNHL-INIZCTEOSA-N 1 2 290.363 1.329 20 30 CDEDLO C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC(F)(C#N)CC1 ZINC000352451327 363475822 /nfs/dbraw/zinc/47/58/22/363475822.db2.gz VYRHODOJWYSNSK-JTQLQIEISA-N 1 2 255.337 1.617 20 30 CDEDLO Cc1cc(C)c(C#N)c(N[C@H](C)C[NH+]2CCN(C)CC2)n1 ZINC000264454347 357319988 /nfs/dbraw/zinc/31/99/88/357319988.db2.gz ZNFHFDTWKADGOB-CQSZACIVSA-N 1 2 287.411 1.618 20 30 CDEDLO N#Cc1nnc2ccccc2c1N1CCn2c[nH+]cc2C1 ZINC000357550473 283259096 /nfs/dbraw/zinc/25/90/96/283259096.db2.gz RDMJOMXOBIFMMK-UHFFFAOYSA-N 1 2 276.303 1.718 20 30 CDEDLO COCC1=CC[N@H+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000185840474 357584106 /nfs/dbraw/zinc/58/41/06/357584106.db2.gz MCUIKDKQRPDXMQ-UHFFFAOYSA-N 1 2 291.395 1.608 20 30 CDEDLO COCC1=CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000185840474 357584110 /nfs/dbraw/zinc/58/41/10/357584110.db2.gz MCUIKDKQRPDXMQ-UHFFFAOYSA-N 1 2 291.395 1.608 20 30 CDEDLO COC[C@@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000187696238 357797773 /nfs/dbraw/zinc/79/77/73/357797773.db2.gz ZYGSEXAIDZZCDR-WFASDCNBSA-N 1 2 260.337 1.966 20 30 CDEDLO COC[C@@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000187696238 357797776 /nfs/dbraw/zinc/79/77/76/357797776.db2.gz ZYGSEXAIDZZCDR-WFASDCNBSA-N 1 2 260.337 1.966 20 30 CDEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cccc(C#N)c2)CC[N@H+]1C ZINC000408084588 357817034 /nfs/dbraw/zinc/81/70/34/357817034.db2.gz RKSIOGBSOMHVML-NEPJUHHUSA-N 1 2 293.392 1.271 20 30 CDEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cccc(C#N)c2)CC[N@@H+]1C ZINC000408084588 357817037 /nfs/dbraw/zinc/81/70/37/357817037.db2.gz RKSIOGBSOMHVML-NEPJUHHUSA-N 1 2 293.392 1.271 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCCCNC1=O ZINC000364115529 357837938 /nfs/dbraw/zinc/83/79/38/357837938.db2.gz QEWKCLORWZTIFJ-AWEZNQCLSA-N 1 2 275.327 1.798 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCCCNC1=O ZINC000364115529 357837942 /nfs/dbraw/zinc/83/79/42/357837942.db2.gz QEWKCLORWZTIFJ-AWEZNQCLSA-N 1 2 275.327 1.798 20 30 CDEDLO C#CCO[C@@H](C)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000294617407 199109261 /nfs/dbraw/zinc/10/92/61/199109261.db2.gz NIGAYDHCMNHUNL-LBPRGKRZSA-N 1 2 271.320 1.297 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cn1 ZINC000337681291 358107477 /nfs/dbraw/zinc/10/74/77/358107477.db2.gz ZRVRCSBCWPJYSK-OAHLLOKOSA-N 1 2 293.330 1.135 20 30 CDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(CCC(C)(C)C#N)CC1 ZINC000157520088 358233598 /nfs/dbraw/zinc/23/35/98/358233598.db2.gz VSPGULVGWLUIHA-ZDUSSCGKSA-N 1 2 292.427 1.211 20 30 CDEDLO CC(C)[N@H+](CCS(C)(=O)=O)Cc1ccc(F)c(C#N)c1 ZINC000137075729 363602549 /nfs/dbraw/zinc/60/25/49/363602549.db2.gz KIWTVLPPZLCCKG-UHFFFAOYSA-N 1 2 298.383 1.952 20 30 CDEDLO CC(C)[N@@H+](CCS(C)(=O)=O)Cc1ccc(F)c(C#N)c1 ZINC000137075729 363602554 /nfs/dbraw/zinc/60/25/54/363602554.db2.gz KIWTVLPPZLCCKG-UHFFFAOYSA-N 1 2 298.383 1.952 20 30 CDEDLO C=CCNC(=O)C[N@@H+](CC)C1CN(C(=O)OC(C)(C)C)C1 ZINC000493982109 366500174 /nfs/dbraw/zinc/50/01/74/366500174.db2.gz PQRKTAXINPNELL-UHFFFAOYSA-N 1 2 297.399 1.230 20 30 CDEDLO C=CCNC(=O)C[N@H+](CC)C1CN(C(=O)OC(C)(C)C)C1 ZINC000493982109 366500180 /nfs/dbraw/zinc/50/01/80/366500180.db2.gz PQRKTAXINPNELL-UHFFFAOYSA-N 1 2 297.399 1.230 20 30 CDEDLO COc1ccc(NC(=O)C[NH+]2CCC(C#N)CC2)cc1 ZINC000057907593 359121345 /nfs/dbraw/zinc/12/13/45/359121345.db2.gz HTQXIRMKRRKVFC-UHFFFAOYSA-N 1 2 273.336 1.869 20 30 CDEDLO C#CCCCCNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000268314050 359360837 /nfs/dbraw/zinc/36/08/37/359360837.db2.gz HMRIRDDUGVFNQD-UHFFFAOYSA-N 1 2 289.379 1.910 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)[C@@H]1COCC[N@H+]1CC ZINC000637182672 359345087 /nfs/dbraw/zinc/34/50/87/359345087.db2.gz UDZRJWWHXQBJRA-STQMWFEESA-N 1 2 252.358 1.274 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000637182672 359345088 /nfs/dbraw/zinc/34/50/88/359345088.db2.gz UDZRJWWHXQBJRA-STQMWFEESA-N 1 2 252.358 1.274 20 30 CDEDLO C=CC[N@H+](CCCS(C)(=O)=O)CCc1ccco1 ZINC000272265746 359449474 /nfs/dbraw/zinc/44/94/74/359449474.db2.gz KTNFDYKBGBWRFI-UHFFFAOYSA-N 1 2 271.382 1.745 20 30 CDEDLO C=CC[N@@H+](CCCS(C)(=O)=O)CCc1ccco1 ZINC000272265746 359449475 /nfs/dbraw/zinc/44/94/75/359449475.db2.gz KTNFDYKBGBWRFI-UHFFFAOYSA-N 1 2 271.382 1.745 20 30 CDEDLO C=CC[N@@H+](CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C ZINC000272842983 359469253 /nfs/dbraw/zinc/46/92/53/359469253.db2.gz SMVVHJDKBRYRNS-LLVKDONJSA-N 1 2 270.373 1.341 20 30 CDEDLO C=CC[N@H+](CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C ZINC000272842983 359469255 /nfs/dbraw/zinc/46/92/55/359469255.db2.gz SMVVHJDKBRYRNS-LLVKDONJSA-N 1 2 270.373 1.341 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCc1ccc(C)cc1)C1CC1 ZINC000274221535 359494578 /nfs/dbraw/zinc/49/45/78/359494578.db2.gz VFFHYCSGOQLPGT-UHFFFAOYSA-N 1 2 256.349 1.709 20 30 CDEDLO C#CC[N@H+](CC(=O)NCc1ccc(C)cc1)C1CC1 ZINC000274221535 359494582 /nfs/dbraw/zinc/49/45/82/359494582.db2.gz VFFHYCSGOQLPGT-UHFFFAOYSA-N 1 2 256.349 1.709 20 30 CDEDLO C=CCNC(=O)C[N@@H+](CCC)[C@@H](CC)C(=O)OCC ZINC000276800706 359549228 /nfs/dbraw/zinc/54/92/28/359549228.db2.gz LUCARRHYUSRTKO-LBPRGKRZSA-N 1 2 270.373 1.342 20 30 CDEDLO C=CCNC(=O)C[N@H+](CCC)[C@@H](CC)C(=O)OCC ZINC000276800706 359549233 /nfs/dbraw/zinc/54/92/33/359549233.db2.gz LUCARRHYUSRTKO-LBPRGKRZSA-N 1 2 270.373 1.342 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccncc2)n1 ZINC000279730685 359593144 /nfs/dbraw/zinc/59/31/44/359593144.db2.gz NGFUNOWZJZYKCO-UHFFFAOYSA-N 1 2 254.337 1.933 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccncc2)n1 ZINC000279730685 359593150 /nfs/dbraw/zinc/59/31/50/359593150.db2.gz NGFUNOWZJZYKCO-UHFFFAOYSA-N 1 2 254.337 1.933 20 30 CDEDLO N#Cc1cc(N2CCC[C@@H]2Cn2cc[nH+]c2)ncn1 ZINC000571502268 359579457 /nfs/dbraw/zinc/57/94/57/359579457.db2.gz WJGILMWTVOSMAS-GFCCVEGCSA-N 1 2 254.297 1.214 20 30 CDEDLO C#CC(C)(C)[N@H+](C)Cc1nnnn1-c1ccccc1 ZINC000279389072 359584631 /nfs/dbraw/zinc/58/46/31/359584631.db2.gz YNNRDSNHTKUAFR-UHFFFAOYSA-N 1 2 255.325 1.506 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)Cc1nnnn1-c1ccccc1 ZINC000279389072 359584634 /nfs/dbraw/zinc/58/46/34/359584634.db2.gz YNNRDSNHTKUAFR-UHFFFAOYSA-N 1 2 255.325 1.506 20 30 CDEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)OC)CC2)cc1 ZINC000495841699 366541319 /nfs/dbraw/zinc/54/13/19/366541319.db2.gz REAZANZUJLEJTA-UHFFFAOYSA-N 1 2 258.321 1.552 20 30 CDEDLO C=CCOCC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000348088851 359825456 /nfs/dbraw/zinc/82/54/56/359825456.db2.gz ZBNZGVIIFYGPOG-UHFFFAOYSA-N 1 2 292.354 1.673 20 30 CDEDLO CN(CC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000166329310 359939913 /nfs/dbraw/zinc/93/99/13/359939913.db2.gz PKYAWKGFQOPJHK-UHFFFAOYSA-N 1 2 290.323 1.235 20 30 CDEDLO COC(=O)C(C)(C)[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000298082737 200329725 /nfs/dbraw/zinc/32/97/25/200329725.db2.gz KDHODEKDBMGPBJ-UHFFFAOYSA-N 1 2 289.335 1.428 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)NCCC(C)C)C1=O ZINC000337237679 360049555 /nfs/dbraw/zinc/04/95/55/360049555.db2.gz YUDYFXVWFBNEJM-ZIAGYGMSSA-N 1 2 295.427 1.256 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)NCCC(C)C)C1=O ZINC000337237679 360049561 /nfs/dbraw/zinc/04/95/61/360049561.db2.gz YUDYFXVWFBNEJM-ZIAGYGMSSA-N 1 2 295.427 1.256 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)Cc2ccccc2O1 ZINC000429142611 360764587 /nfs/dbraw/zinc/76/45/87/360764587.db2.gz OPVRBZLMFDDVAQ-ZDUSSCGKSA-N 1 2 299.374 1.832 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)Cc2ccccc2O1 ZINC000429142611 360764589 /nfs/dbraw/zinc/76/45/89/360764589.db2.gz OPVRBZLMFDDVAQ-ZDUSSCGKSA-N 1 2 299.374 1.832 20 30 CDEDLO CC#CC[N@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429397610 360821109 /nfs/dbraw/zinc/82/11/09/360821109.db2.gz SAVRLORUWXADKD-BETUJISGSA-N 1 2 250.386 1.977 20 30 CDEDLO CC#CC[N@@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429397610 360821112 /nfs/dbraw/zinc/82/11/12/360821112.db2.gz SAVRLORUWXADKD-BETUJISGSA-N 1 2 250.386 1.977 20 30 CDEDLO C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccsc1 ZINC000563219995 360897257 /nfs/dbraw/zinc/89/72/57/360897257.db2.gz DAFNRDYQMONRAX-GWCFXTLKSA-N 1 2 265.382 1.812 20 30 CDEDLO Cn1c[nH+]cc1CNS(=O)(=O)CC1(C#N)CCCCC1 ZINC000349801340 360945907 /nfs/dbraw/zinc/94/59/07/360945907.db2.gz OXICWPYGYIOVTH-UHFFFAOYSA-N 1 2 296.396 1.314 20 30 CDEDLO CC[N@H+](Cc1ccc(C#N)cn1)[C@H](C)CS(C)(=O)=O ZINC000572493903 360952931 /nfs/dbraw/zinc/95/29/31/360952931.db2.gz FAABQEZZCSPNTO-LLVKDONJSA-N 1 2 281.381 1.208 20 30 CDEDLO CC[N@@H+](Cc1ccc(C#N)cn1)[C@H](C)CS(C)(=O)=O ZINC000572493903 360952941 /nfs/dbraw/zinc/95/29/41/360952941.db2.gz FAABQEZZCSPNTO-LLVKDONJSA-N 1 2 281.381 1.208 20 30 CDEDLO CC(=O)N1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000034674126 360962982 /nfs/dbraw/zinc/96/29/82/360962982.db2.gz INKATSUZYWTEJE-UHFFFAOYSA-N 1 2 273.336 1.101 20 30 CDEDLO CC(C)[C@H](C(=O)N[C@@H](C)C#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000432346801 361151171 /nfs/dbraw/zinc/15/11/71/361151171.db2.gz MRJRWVRVDAYNQC-WUHRBBMRSA-N 1 2 267.373 1.148 20 30 CDEDLO CC(C)[C@H](C(=O)N[C@@H](C)C#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000432346801 361151176 /nfs/dbraw/zinc/15/11/76/361151176.db2.gz MRJRWVRVDAYNQC-WUHRBBMRSA-N 1 2 267.373 1.148 20 30 CDEDLO C[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)[C@@H](C)CO1 ZINC000329298750 361471834 /nfs/dbraw/zinc/47/18/34/361471834.db2.gz UTUDWBZVPOLUEY-XQQFMLRXSA-N 1 2 292.383 1.784 20 30 CDEDLO C[C@@H]1CCC[C@]1(O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329308583 361474137 /nfs/dbraw/zinc/47/41/37/361474137.db2.gz QFZGRUKEXNETPF-JMSVASOKSA-N 1 2 277.368 1.953 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCCCS2)C1 ZINC000329313850 361476638 /nfs/dbraw/zinc/47/66/38/361476638.db2.gz AQBDUAOTGPPNIR-NEPJUHHUSA-N 1 2 287.429 1.106 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCCCS2)C1 ZINC000329313850 361476641 /nfs/dbraw/zinc/47/66/41/361476641.db2.gz AQBDUAOTGPPNIR-NEPJUHHUSA-N 1 2 287.429 1.106 20 30 CDEDLO C[C@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CC2)CCS1(=O)=O ZINC000329130788 361450606 /nfs/dbraw/zinc/45/06/06/361450606.db2.gz XGMPHQMQYZIDLQ-ZMLRMANQSA-N 1 2 286.397 1.145 20 30 CDEDLO C[C@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CC2)CCS1(=O)=O ZINC000329130788 361450608 /nfs/dbraw/zinc/45/06/08/361450608.db2.gz XGMPHQMQYZIDLQ-ZMLRMANQSA-N 1 2 286.397 1.145 20 30 CDEDLO C[C@@H](Nc1snc(Cl)c1C#N)[C@@H]1C[N@H+](C)CCO1 ZINC000301744720 201172884 /nfs/dbraw/zinc/17/28/84/201172884.db2.gz GQWONENSKDPZDK-APPZFPTMSA-N 1 2 286.788 1.799 20 30 CDEDLO C[C@@H](Nc1snc(Cl)c1C#N)[C@@H]1C[N@@H+](C)CCO1 ZINC000301744720 201172888 /nfs/dbraw/zinc/17/28/88/201172888.db2.gz GQWONENSKDPZDK-APPZFPTMSA-N 1 2 286.788 1.799 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)NCCc1c[nH+]cn1C ZINC000580752513 363942397 /nfs/dbraw/zinc/94/23/97/363942397.db2.gz JECGOSBPJANSHM-UHFFFAOYSA-N 1 2 258.281 1.166 20 30 CDEDLO C=CCNC(=O)c1ccc(NCCn2cc[nH+]c2)nc1 ZINC000302147024 364447221 /nfs/dbraw/zinc/44/72/21/364447221.db2.gz ROLIBDZIELQHIG-UHFFFAOYSA-N 1 2 271.324 1.306 20 30 CDEDLO C=CCCCS(=O)(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000644194089 364863398 /nfs/dbraw/zinc/86/33/98/364863398.db2.gz JXENKYACXXVZMK-LBPRGKRZSA-N 1 2 260.403 1.308 20 30 CDEDLO C=CCCCS(=O)(=O)N1CC[N@H+](CC)[C@@H](C)C1 ZINC000644194089 364863402 /nfs/dbraw/zinc/86/34/02/364863402.db2.gz JXENKYACXXVZMK-LBPRGKRZSA-N 1 2 260.403 1.308 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cccc(NC(C)=O)c2)nn1 ZINC000641024648 364850414 /nfs/dbraw/zinc/85/04/14/364850414.db2.gz PMBWTMMPFDGFCL-UHFFFAOYSA-N 1 2 297.362 1.398 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000491327469 364966473 /nfs/dbraw/zinc/96/64/73/364966473.db2.gz VQENTRVGDNMCAN-NSHDSACASA-N 1 2 276.384 1.610 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000491327469 364966479 /nfs/dbraw/zinc/96/64/79/364966479.db2.gz VQENTRVGDNMCAN-NSHDSACASA-N 1 2 276.384 1.610 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@H]2CCC3(CCCC3)O2)nn1 ZINC000641151957 365119970 /nfs/dbraw/zinc/11/99/70/365119970.db2.gz RIEXITRFEYVZPP-OAHLLOKOSA-N 1 2 288.395 1.883 20 30 CDEDLO CC[C@H](C(=O)N(C)CC(C)(C)C#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000353230625 365077041 /nfs/dbraw/zinc/07/70/41/365077041.db2.gz GBPCCAXTLCLHEN-ZIAGYGMSSA-N 1 2 295.427 1.884 20 30 CDEDLO CC[C@H](C(=O)N(C)CC(C)(C)C#N)[N@H+]1CCO[C@H](CC)C1 ZINC000353230625 365077046 /nfs/dbraw/zinc/07/70/46/365077046.db2.gz GBPCCAXTLCLHEN-ZIAGYGMSSA-N 1 2 295.427 1.884 20 30 CDEDLO Cc1occc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000414393208 241180341 /nfs/dbraw/zinc/18/03/41/241180341.db2.gz DGWKCPJYSRVCEW-GFCCVEGCSA-N 1 2 297.362 1.960 20 30 CDEDLO Cc1occc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000414393208 241180345 /nfs/dbraw/zinc/18/03/45/241180345.db2.gz DGWKCPJYSRVCEW-GFCCVEGCSA-N 1 2 297.362 1.960 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(N)=O)CC2)c1 ZINC000102178213 370848216 /nfs/dbraw/zinc/84/82/16/370848216.db2.gz IHVVLHORUKWWSX-UHFFFAOYSA-N 1 2 276.315 1.284 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(N)=O)CC2)c1 ZINC000102178213 370848222 /nfs/dbraw/zinc/84/82/22/370848222.db2.gz IHVVLHORUKWWSX-UHFFFAOYSA-N 1 2 276.315 1.284 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000272497650 367742564 /nfs/dbraw/zinc/74/25/64/367742564.db2.gz DFTCLKGRCPSZNK-DFBGVHRSSA-N 1 2 288.347 1.475 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000272497650 367742576 /nfs/dbraw/zinc/74/25/76/367742576.db2.gz DFTCLKGRCPSZNK-DFBGVHRSSA-N 1 2 288.347 1.475 20 30 CDEDLO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ncc[nH]3)C2=O)cc1 ZINC000272523468 367748621 /nfs/dbraw/zinc/74/86/21/367748621.db2.gz JCQYIDGYWGXOTO-AWEZNQCLSA-N 1 2 295.346 1.567 20 30 CDEDLO C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000126086893 368282175 /nfs/dbraw/zinc/28/21/75/368282175.db2.gz KRGVYURGURYFSR-GIPWTMENSA-N 1 2 293.392 1.196 20 30 CDEDLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000126086893 368282178 /nfs/dbraw/zinc/28/21/78/368282178.db2.gz KRGVYURGURYFSR-GIPWTMENSA-N 1 2 293.392 1.196 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000128319094 368396540 /nfs/dbraw/zinc/39/65/40/368396540.db2.gz PCADODHXQCXXJZ-MNOVXSKESA-N 1 2 293.333 1.246 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000128319094 368396548 /nfs/dbraw/zinc/39/65/48/368396548.db2.gz PCADODHXQCXXJZ-MNOVXSKESA-N 1 2 293.333 1.246 20 30 CDEDLO N#CCOc1ccc(/C=C/C(=O)NCCn2cc[nH+]c2)cc1 ZINC000070752501 368770897 /nfs/dbraw/zinc/77/08/97/368770897.db2.gz AMHYHJUGPNISHG-ZZXKWVIFSA-N 1 2 296.330 1.615 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000276212869 193244884 /nfs/dbraw/zinc/24/48/84/193244884.db2.gz LHCVESHAQMPQPP-ZFWWWQNUSA-N 1 2 279.384 1.864 20 30 CDEDLO C=CCSCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000572539682 370212509 /nfs/dbraw/zinc/21/25/09/370212509.db2.gz INERFGQBUOLJPF-JTQLQIEISA-N 1 2 253.371 1.624 20 30 CDEDLO C=CCSCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000572539682 370212512 /nfs/dbraw/zinc/21/25/12/370212512.db2.gz INERFGQBUOLJPF-JTQLQIEISA-N 1 2 253.371 1.624 20 30 CDEDLO CN(C)C(=O)c1cccc(C[NH2+]C[C@H](C#N)CCC#N)c1 ZINC000554552161 370225484 /nfs/dbraw/zinc/22/54/84/370225484.db2.gz FSZFKAFUZFKWFP-AWEZNQCLSA-N 1 2 284.363 1.922 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNC(=O)C2(C#N)CC(C)C2)CCO1 ZINC000572552988 370235611 /nfs/dbraw/zinc/23/56/11/370235611.db2.gz CDSFDPUDZLJYTA-JVWICGRDSA-N 1 2 279.384 1.153 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)C2(C#N)CC(C)C2)CCO1 ZINC000572552988 370235618 /nfs/dbraw/zinc/23/56/18/370235618.db2.gz CDSFDPUDZLJYTA-JVWICGRDSA-N 1 2 279.384 1.153 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2c2ncccn2)C1=O ZINC000639873790 370400039 /nfs/dbraw/zinc/40/00/39/370400039.db2.gz VJGYYAMINHCRED-STQMWFEESA-N 1 2 272.352 1.400 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2c2ncccn2)C1=O ZINC000639873790 370400043 /nfs/dbraw/zinc/40/00/43/370400043.db2.gz VJGYYAMINHCRED-STQMWFEESA-N 1 2 272.352 1.400 20 30 CDEDLO CO[C@@H](CC(C)C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000567617797 371067994 /nfs/dbraw/zinc/06/79/94/371067994.db2.gz VCJPUCWXQQTUKE-WCQYABFASA-N 1 2 255.362 1.008 20 30 CDEDLO C[NH+]1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000130703140 371084618 /nfs/dbraw/zinc/08/46/18/371084618.db2.gz VYEODTPWESGJEY-UHFFFAOYSA-N 1 2 287.363 1.490 20 30 CDEDLO C=CCNC(=O)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000271995774 371085094 /nfs/dbraw/zinc/08/50/94/371085094.db2.gz IPESNLYHPUMKHU-UHFFFAOYSA-N 1 2 259.231 1.815 20 30 CDEDLO C[C@@H](CC(=O)NC1(C#N)CCSCC1)n1cc[nH+]c1 ZINC000578017194 372224181 /nfs/dbraw/zinc/22/41/81/372224181.db2.gz VNOMGPQRZGFGEX-NSHDSACASA-N 1 2 278.381 1.740 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000578657482 372534686 /nfs/dbraw/zinc/53/46/86/372534686.db2.gz NPCXTFVXWDLMEG-UAGQMJEPSA-N 1 2 285.391 1.924 20 30 CDEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnnn1C1CCOCC1 ZINC000578581474 372505790 /nfs/dbraw/zinc/50/57/90/372505790.db2.gz KGZKNJFLDVOUTG-LBPRGKRZSA-N 1 2 277.372 1.565 20 30 CDEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnnn1C1CCOCC1 ZINC000578581474 372505798 /nfs/dbraw/zinc/50/57/98/372505798.db2.gz KGZKNJFLDVOUTG-LBPRGKRZSA-N 1 2 277.372 1.565 20 30 CDEDLO CC(C)(C)n1nnnc1C[NH+]1CCC(CCC#N)CC1 ZINC000579469421 372572199 /nfs/dbraw/zinc/57/21/99/372572199.db2.gz AJMIIFACXZGNRH-UHFFFAOYSA-N 1 2 276.388 1.944 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN(C(C)=O)CC1(C)C ZINC000182186415 372596911 /nfs/dbraw/zinc/59/69/11/372596911.db2.gz VWPNBZBCPPBGIK-UHFFFAOYSA-N 1 2 295.427 1.354 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN(C(C)=O)CC1(C)C ZINC000182186415 372596917 /nfs/dbraw/zinc/59/69/17/372596917.db2.gz VWPNBZBCPPBGIK-UHFFFAOYSA-N 1 2 295.427 1.354 20 30 CDEDLO CC(=O)c1ccc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000580717712 372670269 /nfs/dbraw/zinc/67/02/69/372670269.db2.gz HXUZJKSLXJUUPI-MRXNPFEDSA-N 1 2 287.363 1.392 20 30 CDEDLO Cc1c([C@@H](C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cnn1C ZINC000348015191 372799032 /nfs/dbraw/zinc/79/90/32/372799032.db2.gz TVGOIBFXBQUCGY-BMIGLBTASA-N 1 2 297.362 1.477 20 30 CDEDLO C(#Cc1ccccc1)C[NH+]1CCN(Cc2ccon2)CC1 ZINC000192043263 373575481 /nfs/dbraw/zinc/57/54/81/373575481.db2.gz XIILDWCHMQHKJW-UHFFFAOYSA-N 1 2 281.359 1.844 20 30 CDEDLO COc1cc(OC)cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000574459011 335021562 /nfs/dbraw/zinc/02/15/62/335021562.db2.gz BMGAAVWDXXEOGP-OAHLLOKOSA-N 1 2 291.351 1.277 20 30 CDEDLO Cn1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cn1 ZINC000299635109 373919119 /nfs/dbraw/zinc/91/91/19/373919119.db2.gz ZGMSFVYDBUJROO-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccccn1 ZINC000361146175 374035623 /nfs/dbraw/zinc/03/56/23/374035623.db2.gz AQZRQVWCIXHYRV-XHDPSFHLSA-N 1 2 280.331 1.830 20 30 CDEDLO CC[N@H+](CC(=O)OC)Cc1ccc(C#N)c(F)c1 ZINC000361712063 374048248 /nfs/dbraw/zinc/04/82/48/374048248.db2.gz OCYCLRPBWOFXAG-UHFFFAOYSA-N 1 2 250.273 1.692 20 30 CDEDLO CC[N@@H+](CC(=O)OC)Cc1ccc(C#N)c(F)c1 ZINC000361712063 374048252 /nfs/dbraw/zinc/04/82/52/374048252.db2.gz OCYCLRPBWOFXAG-UHFFFAOYSA-N 1 2 250.273 1.692 20 30 CDEDLO CCC[C@H]([NH2+]C(C)C)C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000351263171 374163049 /nfs/dbraw/zinc/16/30/49/374163049.db2.gz ZIALYBWMNGXSNX-VIFPVBQESA-N 1 2 274.328 1.258 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420947473 374307259 /nfs/dbraw/zinc/30/72/59/374307259.db2.gz UXYABWTVNGJRRW-AWEZNQCLSA-N 1 2 290.363 1.539 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420947473 374307266 /nfs/dbraw/zinc/30/72/66/374307266.db2.gz UXYABWTVNGJRRW-AWEZNQCLSA-N 1 2 290.363 1.539 20 30 CDEDLO COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000292796115 374316657 /nfs/dbraw/zinc/31/66/57/374316657.db2.gz MYEJTLOAOOSQEV-AWEZNQCLSA-N 1 2 277.368 1.916 20 30 CDEDLO COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000292796115 374316661 /nfs/dbraw/zinc/31/66/61/374316661.db2.gz MYEJTLOAOOSQEV-AWEZNQCLSA-N 1 2 277.368 1.916 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cc1Cl)[C@H]1COC[C@H]1O ZINC000352802596 374360144 /nfs/dbraw/zinc/36/01/44/374360144.db2.gz MBBRDVATHROEFI-QWHCGFSZSA-N 1 2 266.728 1.403 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H]1COC[C@H]1O ZINC000352802596 374360151 /nfs/dbraw/zinc/36/01/51/374360151.db2.gz MBBRDVATHROEFI-QWHCGFSZSA-N 1 2 266.728 1.403 20 30 CDEDLO COC(=O)C1(C)C[NH+](Cc2ccc(C#N)s2)C1 ZINC000425374984 374436680 /nfs/dbraw/zinc/43/66/80/374436680.db2.gz RFOKZAHRWHGQPN-UHFFFAOYSA-N 1 2 250.323 1.615 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[S@](=O)CC[C@@H]1C ZINC000375942953 374524513 /nfs/dbraw/zinc/52/45/13/374524513.db2.gz RXWNVZMIJZKTQH-FKIZINRSSA-N 1 2 292.404 1.910 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CC[S@](=O)CC[C@@H]1C ZINC000375942953 374524520 /nfs/dbraw/zinc/52/45/20/374524520.db2.gz RXWNVZMIJZKTQH-FKIZINRSSA-N 1 2 292.404 1.910 20 30 CDEDLO CCC#C[C@H](C)[N@@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000640159977 374528893 /nfs/dbraw/zinc/52/88/93/374528893.db2.gz BBRWLZDBLBRRID-LBPRGKRZSA-N 1 2 292.404 1.494 20 30 CDEDLO CCC#C[C@H](C)[N@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000640159977 374528899 /nfs/dbraw/zinc/52/88/99/374528899.db2.gz BBRWLZDBLBRRID-LBPRGKRZSA-N 1 2 292.404 1.494 20 30 CDEDLO COCC(=O)N1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118393442 374657286 /nfs/dbraw/zinc/65/72/86/374657286.db2.gz KRAZPVZYPIEBMX-CYBMUJFWSA-N 1 2 287.363 1.410 20 30 CDEDLO N#Cc1c[nH]c(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000278044508 374828737 /nfs/dbraw/zinc/82/87/37/374828737.db2.gz LJHGTXHCCVHQOL-WCQYABFASA-N 1 2 299.334 1.862 20 30 CDEDLO N#Cc1c[nH]c(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000278044508 374828746 /nfs/dbraw/zinc/82/87/46/374828746.db2.gz LJHGTXHCCVHQOL-WCQYABFASA-N 1 2 299.334 1.862 20 30 CDEDLO N#Cc1c(NCC2([NH+]3CCOCC3)CC2)nc2ccccn21 ZINC000277325132 374781503 /nfs/dbraw/zinc/78/15/03/374781503.db2.gz DMCHHTSVHUMNDW-UHFFFAOYSA-N 1 2 297.362 1.483 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CC[S@@](=O)C1 ZINC000277471327 374789911 /nfs/dbraw/zinc/78/99/11/374789911.db2.gz MANQYTROMSWIDI-ADLMAVQZSA-N 1 2 265.382 1.097 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CC[S@@](=O)C1 ZINC000277471327 374789914 /nfs/dbraw/zinc/78/99/14/374789914.db2.gz MANQYTROMSWIDI-ADLMAVQZSA-N 1 2 265.382 1.097 20 30 CDEDLO N#Cc1ccsc1C(=O)NCCCn1cc[nH+]c1 ZINC000052147383 375600808 /nfs/dbraw/zinc/60/08/08/375600808.db2.gz YMYISJYVGYEKCZ-UHFFFAOYSA-N 1 2 260.322 1.636 20 30 CDEDLO CCc1nc(C)c(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)o1 ZINC000427867316 247207509 /nfs/dbraw/zinc/20/75/09/247207509.db2.gz UQVAHVIOKHEFPX-OAHLLOKOSA-N 1 2 298.346 1.733 20 30 CDEDLO CC1=C(C(=O)N(CCC#N)CC[NH+]2CCOCC2)CCC1 ZINC000328620537 375897626 /nfs/dbraw/zinc/89/76/26/375897626.db2.gz WYWPYIIKHCIAEA-UHFFFAOYSA-N 1 2 291.395 1.561 20 30 CDEDLO O=C(N[C@@H]1CCO[C@@H]1C1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000328867576 375991914 /nfs/dbraw/zinc/99/19/14/375991914.db2.gz HBEVAUAKUGNAHR-OUCADQQQSA-N 1 2 275.352 1.970 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](Cc1ccc(F)cc1)C(=O)OC ZINC000419252472 376116034 /nfs/dbraw/zinc/11/60/34/376116034.db2.gz VKEQGBAWJKFROU-ILXRZTDVSA-N 1 2 293.338 1.843 20 30 CDEDLO CCOC(=O)C1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000072589977 376797804 /nfs/dbraw/zinc/79/78/04/376797804.db2.gz JRMINZOPXAPZOA-LBPRGKRZSA-N 1 2 263.341 1.705 20 30 CDEDLO N#Cc1cccc(C2(C(=O)NCc3[nH]cc[nH+]3)CC2)c1 ZINC000435472462 248171874 /nfs/dbraw/zinc/17/18/74/248171874.db2.gz XELWSDZFTBZNPY-UHFFFAOYSA-N 1 2 266.304 1.629 20 30 CDEDLO C=CCN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000161460992 377225097 /nfs/dbraw/zinc/22/50/97/377225097.db2.gz FCLOIOHBKDBZKJ-INIZCTEOSA-N 1 2 287.407 1.620 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCc1ccc(C)cc1 ZINC000076185486 377465484 /nfs/dbraw/zinc/46/54/84/377465484.db2.gz WQHAQLXJBFBVFL-UHFFFAOYSA-N 1 2 254.333 1.180 20 30 CDEDLO CN(Cc1[nH+]ccn1C)c1c(C#N)cccc1C#N ZINC000436268197 249390404 /nfs/dbraw/zinc/39/04/04/249390404.db2.gz TXZURFFQFMBTSZ-UHFFFAOYSA-N 1 2 251.293 1.800 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000572239832 377796501 /nfs/dbraw/zinc/79/65/01/377796501.db2.gz NJLCENUYJAYUIN-VXGBXAGGSA-N 1 2 295.383 1.030 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000572239832 377796507 /nfs/dbraw/zinc/79/65/07/377796507.db2.gz NJLCENUYJAYUIN-VXGBXAGGSA-N 1 2 295.383 1.030 20 30 CDEDLO C[C@H](C(=O)NCc1cccs1)[NH+]1CCC(C#N)CC1 ZINC000057906060 377861564 /nfs/dbraw/zinc/86/15/64/377861564.db2.gz TVLKAVSZUVDXLR-LLVKDONJSA-N 1 2 277.393 1.988 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000280486296 377954794 /nfs/dbraw/zinc/95/47/94/377954794.db2.gz BDHYYHIVWQHJCL-STQMWFEESA-N 1 2 278.356 1.164 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2CC=C)CC1 ZINC000282580811 378051994 /nfs/dbraw/zinc/05/19/94/378051994.db2.gz LENAVCSDCFOJHT-UHFFFAOYSA-N 1 2 271.368 1.097 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CC=C(C(F)(F)F)CC2)C1=O ZINC000282120771 378025376 /nfs/dbraw/zinc/02/53/76/378025376.db2.gz XSXPFLFVLPBNRC-LLVKDONJSA-N 1 2 274.286 1.968 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CC=C(C(F)(F)F)CC2)C1=O ZINC000282120771 378025380 /nfs/dbraw/zinc/02/53/80/378025380.db2.gz XSXPFLFVLPBNRC-LLVKDONJSA-N 1 2 274.286 1.968 20 30 CDEDLO C[C@@H]1C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C[C@H](C)O1 ZINC000574693860 335040506 /nfs/dbraw/zinc/04/05/06/335040506.db2.gz DUBPJXWTLMETDE-GFQSEFKGSA-N 1 2 267.373 1.150 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CC(=C)C)CC1 ZINC000283139944 378087096 /nfs/dbraw/zinc/08/70/96/378087096.db2.gz CXSOREYHBNYINJ-UHFFFAOYSA-N 1 2 299.422 1.877 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CC)CC1 ZINC000283350986 378106272 /nfs/dbraw/zinc/10/62/72/378106272.db2.gz CNSGGOUOGYUVMZ-UHFFFAOYSA-N 1 2 284.367 1.048 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000192239055 378178095 /nfs/dbraw/zinc/17/80/95/378178095.db2.gz SYAPDHTTXZCWNM-NSHDSACASA-N 1 2 276.336 1.596 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000192239055 378178103 /nfs/dbraw/zinc/17/81/03/378178103.db2.gz SYAPDHTTXZCWNM-NSHDSACASA-N 1 2 276.336 1.596 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)C(=O)N(C)C)c1 ZINC000097496541 378523818 /nfs/dbraw/zinc/52/38/18/378523818.db2.gz PDVGWEUOQKMUNW-LBPRGKRZSA-N 1 2 287.363 1.015 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)C(=O)N(C)C)c1 ZINC000097496541 378523826 /nfs/dbraw/zinc/52/38/26/378523826.db2.gz PDVGWEUOQKMUNW-LBPRGKRZSA-N 1 2 287.363 1.015 20 30 CDEDLO C=C[C@H](CO)Nc1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000292677200 378509063 /nfs/dbraw/zinc/50/90/63/378509063.db2.gz AYWFGVGHNCCTKU-NWDGAFQWSA-N 1 2 262.357 1.672 20 30 CDEDLO C=C[C@H](CO)Nc1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000292677200 378509068 /nfs/dbraw/zinc/50/90/68/378509068.db2.gz AYWFGVGHNCCTKU-NWDGAFQWSA-N 1 2 262.357 1.672 20 30 CDEDLO CCc1ccc(C#CC(=O)NCc2[nH]c[nH+]c2C)cc1 ZINC000293273124 378552483 /nfs/dbraw/zinc/55/24/83/378552483.db2.gz QWCAXFUFXCOZEP-UHFFFAOYSA-N 1 2 267.332 1.948 20 30 CDEDLO C#CC[N@H+](C)CCCNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000293930422 378603989 /nfs/dbraw/zinc/60/39/89/378603989.db2.gz HTYVPCGHRQSOFA-UHFFFAOYSA-N 1 2 297.362 1.157 20 30 CDEDLO C#CC[N@@H+](C)CCCNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000293930422 378603996 /nfs/dbraw/zinc/60/39/96/378603996.db2.gz HTYVPCGHRQSOFA-UHFFFAOYSA-N 1 2 297.362 1.157 20 30 CDEDLO C#C[C@@H](C)NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000185989408 378835087 /nfs/dbraw/zinc/83/50/87/378835087.db2.gz PPWNYJGTDKAWRP-LLVKDONJSA-N 1 2 256.309 1.198 20 30 CDEDLO CC[C@@H](C#N)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000343431650 378866729 /nfs/dbraw/zinc/86/67/29/378866729.db2.gz IOQVOEOUPQASTK-HNNXBMFYSA-N 1 2 287.363 1.551 20 30 CDEDLO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC2(C#N)CC2)c1 ZINC000343582955 378930792 /nfs/dbraw/zinc/93/07/92/378930792.db2.gz QZBIEBLTWXLBRR-NSHDSACASA-N 1 2 293.392 1.549 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000660144342 412957200 /nfs/dbraw/zinc/95/72/00/412957200.db2.gz UHENCKISHVTWAH-GFCCVEGCSA-N 1 2 262.357 1.431 20 30 CDEDLO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000307899591 285224997 /nfs/dbraw/zinc/22/49/97/285224997.db2.gz QUPLTLCQQNJJDF-UHFFFAOYSA-N 1 2 299.421 1.336 20 30 CDEDLO CC[N@H+]1CCCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000307899591 285225001 /nfs/dbraw/zinc/22/50/01/285225001.db2.gz QUPLTLCQQNJJDF-UHFFFAOYSA-N 1 2 299.421 1.336 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cn(C(C)C)nc2C)C1=O ZINC000281299513 195186444 /nfs/dbraw/zinc/18/64/44/195186444.db2.gz PREZJHZBMRCXAE-HNNXBMFYSA-N 1 2 290.411 1.991 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cn(C(C)C)nc2C)C1=O ZINC000281299513 195186446 /nfs/dbraw/zinc/18/64/46/195186446.db2.gz PREZJHZBMRCXAE-HNNXBMFYSA-N 1 2 290.411 1.991 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccccc2C#N)C1=O ZINC000281353826 195209051 /nfs/dbraw/zinc/20/90/51/195209051.db2.gz UHQYHTIIPAVQRX-HNNXBMFYSA-N 1 2 269.348 1.777 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccccc2C#N)C1=O ZINC000281353826 195209052 /nfs/dbraw/zinc/20/90/52/195209052.db2.gz UHQYHTIIPAVQRX-HNNXBMFYSA-N 1 2 269.348 1.777 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cn3c(cccc3C)n2)C1=O ZINC000281419055 195233465 /nfs/dbraw/zinc/23/34/65/195233465.db2.gz RRRVIDHRKSOUFW-HNNXBMFYSA-N 1 2 298.390 1.861 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cn3c(cccc3C)n2)C1=O ZINC000281419055 195233466 /nfs/dbraw/zinc/23/34/66/195233466.db2.gz RRRVIDHRKSOUFW-HNNXBMFYSA-N 1 2 298.390 1.861 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N[C@@H](C)CCC)C1=O ZINC000281493778 195263400 /nfs/dbraw/zinc/26/34/00/195263400.db2.gz XOMQLMIZPCNGDH-MJBXVCDLSA-N 1 2 295.427 1.398 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N[C@@H](C)CCC)C1=O ZINC000281493778 195263402 /nfs/dbraw/zinc/26/34/02/195263402.db2.gz XOMQLMIZPCNGDH-MJBXVCDLSA-N 1 2 295.427 1.398 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N[C@H](C)CCC)C1=O ZINC000281493781 195263737 /nfs/dbraw/zinc/26/37/37/195263737.db2.gz XOMQLMIZPCNGDH-RDBSUJKOSA-N 1 2 295.427 1.398 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N[C@H](C)CCC)C1=O ZINC000281493781 195263739 /nfs/dbraw/zinc/26/37/39/195263739.db2.gz XOMQLMIZPCNGDH-RDBSUJKOSA-N 1 2 295.427 1.398 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](C)OC ZINC000285903835 390186483 /nfs/dbraw/zinc/18/64/83/390186483.db2.gz ZXJTYOXUOYFUSF-RISCZKNCSA-N 1 2 276.336 1.739 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](C)OC ZINC000285903835 390186486 /nfs/dbraw/zinc/18/64/86/390186486.db2.gz ZXJTYOXUOYFUSF-RISCZKNCSA-N 1 2 276.336 1.739 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)/C=C\c1cccc(C#N)c1 ZINC000493849101 390589177 /nfs/dbraw/zinc/58/91/77/390589177.db2.gz IEVWWAUXIVTQQQ-WAYWQWQTSA-N 1 2 266.304 1.621 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCC#Cc1ccccc1 ZINC000048415989 390596377 /nfs/dbraw/zinc/59/63/77/390596377.db2.gz QEPMAEOTWIQVKE-CQSZACIVSA-N 1 2 282.347 1.623 20 30 CDEDLO COc1cc[nH+]cc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188457880 390958289 /nfs/dbraw/zinc/95/82/89/390958289.db2.gz VNHUUPIOHAFEMO-UHFFFAOYSA-N 1 2 269.260 1.920 20 30 CDEDLO Cc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)nc1 ZINC000158909544 390943023 /nfs/dbraw/zinc/94/30/23/390943023.db2.gz JLYBPDMLZISAMC-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO Cc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000153680196 390898067 /nfs/dbraw/zinc/89/80/67/390898067.db2.gz BBNSYADZRKBLHJ-UHFFFAOYSA-N 1 2 288.395 1.438 20 30 CDEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)[nH]1 ZINC000329491780 390998025 /nfs/dbraw/zinc/99/80/25/390998025.db2.gz VRNLXSUPTQLMEC-GXSJLCMTSA-N 1 2 277.372 1.800 20 30 CDEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)[nH]1 ZINC000329491780 390998029 /nfs/dbraw/zinc/99/80/29/390998029.db2.gz VRNLXSUPTQLMEC-GXSJLCMTSA-N 1 2 277.372 1.800 20 30 CDEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)n1 ZINC000329491780 390998034 /nfs/dbraw/zinc/99/80/34/390998034.db2.gz VRNLXSUPTQLMEC-GXSJLCMTSA-N 1 2 277.372 1.800 20 30 CDEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)n1 ZINC000329491780 390998037 /nfs/dbraw/zinc/99/80/37/390998037.db2.gz VRNLXSUPTQLMEC-GXSJLCMTSA-N 1 2 277.372 1.800 20 30 CDEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)n[nH]1 ZINC000329491780 390998040 /nfs/dbraw/zinc/99/80/40/390998040.db2.gz VRNLXSUPTQLMEC-GXSJLCMTSA-N 1 2 277.372 1.800 20 30 CDEDLO Cc1nc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)n[nH]1 ZINC000329491780 390998042 /nfs/dbraw/zinc/99/80/42/390998042.db2.gz VRNLXSUPTQLMEC-GXSJLCMTSA-N 1 2 277.372 1.800 20 30 CDEDLO CCC[C@]1([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CCOC1 ZINC000329525522 391005411 /nfs/dbraw/zinc/00/54/11/391005411.db2.gz HDNBLCFOKLOHAO-WFASDCNBSA-N 1 2 292.383 1.661 20 30 CDEDLO C[C@]1(CNC([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CCOC1 ZINC000329629656 391047559 /nfs/dbraw/zinc/04/75/59/391047559.db2.gz VDPIPYFEGGZCIN-QMTHXVAHSA-N 1 2 278.356 1.197 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000334433901 391122860 /nfs/dbraw/zinc/12/28/60/391122860.db2.gz DOHWSLKHQIBPEL-NSHDSACASA-N 1 2 260.341 1.454 20 30 CDEDLO CCCCCNC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352467075 391149314 /nfs/dbraw/zinc/14/93/14/391149314.db2.gz IHMUAXZPYLBTOV-UHFFFAOYSA-N 1 2 255.337 1.620 20 30 CDEDLO CCOCCCNC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352448604 391141383 /nfs/dbraw/zinc/14/13/83/391141383.db2.gz IKUONTAEYUNDBM-GFCCVEGCSA-N 1 2 285.363 1.245 20 30 CDEDLO CO[C@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000329271253 533288254 /nfs/dbraw/zinc/28/82/54/533288254.db2.gz HYGWJJZAFNMELV-RWMBFGLXSA-N 1 2 292.383 1.784 20 30 CDEDLO Cc1noc(CO[NH+]=C(N)[C@H](C)OCC(C)C)n1 ZINC000266173790 391170812 /nfs/dbraw/zinc/17/08/12/391170812.db2.gz DHKIEDFBKGMRIP-QMMMGPOBSA-N 1 2 256.306 1.228 20 30 CDEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCC(=O)Nc1ccccc1 ZINC000266169283 391170871 /nfs/dbraw/zinc/17/08/71/391170871.db2.gz BYSVOBNOMCTPTK-GFCCVEGCSA-N 1 2 293.367 1.975 20 30 CDEDLO COc1ccc(C(N)=[NH+]O[C@@H]2CCN(C(C)C)C2=O)cc1 ZINC000177555405 391171088 /nfs/dbraw/zinc/17/10/88/391171088.db2.gz AJWGTYWBGJNWEM-CYBMUJFWSA-N 1 2 291.351 1.341 20 30 CDEDLO N#CC1(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCC1 ZINC000265847063 391164219 /nfs/dbraw/zinc/16/42/19/391164219.db2.gz ARVZWFKIVMZYMP-HNNXBMFYSA-N 1 2 299.374 1.450 20 30 CDEDLO N#CC1(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC1 ZINC000265847063 391164224 /nfs/dbraw/zinc/16/42/24/391164224.db2.gz ARVZWFKIVMZYMP-HNNXBMFYSA-N 1 2 299.374 1.450 20 30 CDEDLO COCC[N@H+](CC(=O)OC)Cc1ccc(C#N)cc1C ZINC000186230831 391218060 /nfs/dbraw/zinc/21/80/60/391218060.db2.gz YCNYXKQUGBWABQ-UHFFFAOYSA-N 1 2 276.336 1.488 20 30 CDEDLO COCC[N@@H+](CC(=O)OC)Cc1ccc(C#N)cc1C ZINC000186230831 391218062 /nfs/dbraw/zinc/21/80/62/391218062.db2.gz YCNYXKQUGBWABQ-UHFFFAOYSA-N 1 2 276.336 1.488 20 30 CDEDLO C#CCCCCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000375905900 391205337 /nfs/dbraw/zinc/20/53/37/391205337.db2.gz ZETDDPRRHUPEKO-GJZGRUSLSA-N 1 2 278.396 1.502 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)OCC ZINC000345440453 391215286 /nfs/dbraw/zinc/21/52/86/391215286.db2.gz ZGYJZBGCYARQCY-LSDHHAIUSA-N 1 2 298.427 1.537 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338622412 391215815 /nfs/dbraw/zinc/21/58/15/391215815.db2.gz CKZVSKKOENCXCS-OCCSQVGLSA-N 1 2 297.374 1.124 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338622412 391215820 /nfs/dbraw/zinc/21/58/20/391215820.db2.gz CKZVSKKOENCXCS-OCCSQVGLSA-N 1 2 297.374 1.124 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(CC#N)cc1 ZINC000270188454 391266698 /nfs/dbraw/zinc/26/66/98/391266698.db2.gz BRIHHVFYVQQOQB-UHFFFAOYSA-N 1 2 268.320 1.758 20 30 CDEDLO C=C(C)CN(C)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000339353503 391289024 /nfs/dbraw/zinc/28/90/24/391289024.db2.gz HSNFGHIBVRSTAP-UHFFFAOYSA-N 1 2 260.328 1.998 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCOC(C)(C)C1 ZINC000345799727 391314743 /nfs/dbraw/zinc/31/47/43/391314743.db2.gz ZXXWOWXHGJGRPD-NSHDSACASA-N 1 2 265.357 1.048 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCOC(C)(C)C1 ZINC000345799727 391314745 /nfs/dbraw/zinc/31/47/45/391314745.db2.gz ZXXWOWXHGJGRPD-NSHDSACASA-N 1 2 265.357 1.048 20 30 CDEDLO N#CCCN(Cc1cccnc1)C(=O)CCc1[nH]cc[nH+]1 ZINC000346291224 391344426 /nfs/dbraw/zinc/34/44/26/391344426.db2.gz AYAGIKCTAVOACM-UHFFFAOYSA-N 1 2 283.335 1.680 20 30 CDEDLO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000328928687 391394661 /nfs/dbraw/zinc/39/46/61/391394661.db2.gz YBUVAXJLSKEVDD-KOLCDFICSA-N 1 2 294.355 1.350 20 30 CDEDLO C[C@H](C(=O)NC1CCCC1)[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000328928687 391394663 /nfs/dbraw/zinc/39/46/63/391394663.db2.gz YBUVAXJLSKEVDD-KOLCDFICSA-N 1 2 294.355 1.350 20 30 CDEDLO Cc1cncc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000328925468 391394815 /nfs/dbraw/zinc/39/48/15/391394815.db2.gz DXFMMBGAJBFUGI-LLVKDONJSA-N 1 2 256.309 1.975 20 30 CDEDLO Cc1cncc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000328925468 391394817 /nfs/dbraw/zinc/39/48/17/391394817.db2.gz DXFMMBGAJBFUGI-LLVKDONJSA-N 1 2 256.309 1.975 20 30 CDEDLO Cc1coc(C)c1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330485223 391430481 /nfs/dbraw/zinc/43/04/81/391430481.db2.gz ZZCSCMFRISKXRI-NSHDSACASA-N 1 2 266.341 1.922 20 30 CDEDLO Cc1coc(C)c1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330485223 391430485 /nfs/dbraw/zinc/43/04/85/391430485.db2.gz ZZCSCMFRISKXRI-NSHDSACASA-N 1 2 266.341 1.922 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC23CCC3)nc1 ZINC000566996820 391450473 /nfs/dbraw/zinc/45/04/73/391450473.db2.gz NHHNLDIRRHEUGA-UHFFFAOYSA-N 1 2 291.376 1.355 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC23CCC3)nc1 ZINC000566996820 391450476 /nfs/dbraw/zinc/45/04/76/391450476.db2.gz NHHNLDIRRHEUGA-UHFFFAOYSA-N 1 2 291.376 1.355 20 30 CDEDLO C=CCCC1(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000355414239 391454642 /nfs/dbraw/zinc/45/46/42/391454642.db2.gz ANLNRJBJLIUVDQ-LBPRGKRZSA-N 1 2 252.358 1.180 20 30 CDEDLO C=CCCC1(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000355414239 391454646 /nfs/dbraw/zinc/45/46/46/391454646.db2.gz ANLNRJBJLIUVDQ-LBPRGKRZSA-N 1 2 252.358 1.180 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1C ZINC000355446025 391456086 /nfs/dbraw/zinc/45/60/86/391456086.db2.gz UTDUMTBSMFXXFA-ZNMIVQPWSA-N 1 2 280.412 1.910 20 30 CDEDLO CCn1nc(C)c(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)c1C ZINC000330616940 391460055 /nfs/dbraw/zinc/46/00/55/391460055.db2.gz FJPFZIAXQSICNM-NSHDSACASA-N 1 2 294.399 1.545 20 30 CDEDLO CCn1nc(C)c(C(=O)NCC[N@H+]2CCOC[C@@H]2C)c1C ZINC000330616940 391460058 /nfs/dbraw/zinc/46/00/58/391460058.db2.gz FJPFZIAXQSICNM-NSHDSACASA-N 1 2 294.399 1.545 20 30 CDEDLO CC#CCCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000355717650 391466163 /nfs/dbraw/zinc/46/61/63/391466163.db2.gz WYRGTODOAJHJHN-UHFFFAOYSA-N 1 2 258.312 1.493 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1csnn1 ZINC000412034587 391564957 /nfs/dbraw/zinc/56/49/57/391564957.db2.gz GFVKTOFXADMCMH-QWRGUYRKSA-N 1 2 280.397 1.778 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2cccc(C#N)c2F)C[C@H](C)O1 ZINC000439289715 391574585 /nfs/dbraw/zinc/57/45/85/391574585.db2.gz ONDBKZOVJSMIHA-SMDDNHRTSA-N 1 2 278.327 1.933 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2cccc(C#N)c2F)C[C@H](C)O1 ZINC000439289715 391574590 /nfs/dbraw/zinc/57/45/90/391574590.db2.gz ONDBKZOVJSMIHA-SMDDNHRTSA-N 1 2 278.327 1.933 20 30 CDEDLO C=CCN(CCC#N)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000359387302 391592963 /nfs/dbraw/zinc/59/29/63/391592963.db2.gz XZLIKSTWDPZOGS-LBPRGKRZSA-N 1 2 258.325 1.374 20 30 CDEDLO C=CCN(CC=C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000105300624 391611817 /nfs/dbraw/zinc/61/18/17/391611817.db2.gz GBLIRSNURUWMSF-KGLIPLIRSA-N 1 2 281.400 1.479 20 30 CDEDLO CN(C[C@@H]1CCOC1)C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329732331 391766462 /nfs/dbraw/zinc/76/64/62/391766462.db2.gz QDOBBMGERLEKPO-WDEREUQCSA-N 1 2 278.356 1.149 20 30 CDEDLO CN(C[C@@H]1CCOC1)C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329732331 391766468 /nfs/dbraw/zinc/76/64/68/391766468.db2.gz QDOBBMGERLEKPO-WDEREUQCSA-N 1 2 278.356 1.149 20 30 CDEDLO N#CC1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCCCC1 ZINC000372307556 391846560 /nfs/dbraw/zinc/84/65/60/391846560.db2.gz FVKPXANGOHNPPY-LBPRGKRZSA-N 1 2 272.352 1.788 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3cccnc3)CC2)nc1 ZINC000247643241 131105411 /nfs/dbraw/zinc/10/54/11/131105411.db2.gz INEZPFZBAMXSHN-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@H]1O ZINC000459381378 392429390 /nfs/dbraw/zinc/42/93/90/392429390.db2.gz AQFAAIVXUVRZTL-QMTHXVAHSA-N 1 2 275.308 1.669 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@H]1O ZINC000459381378 392429394 /nfs/dbraw/zinc/42/93/94/392429394.db2.gz AQFAAIVXUVRZTL-QMTHXVAHSA-N 1 2 275.308 1.669 20 30 CDEDLO C=C[C@H](O)C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000646681993 392648015 /nfs/dbraw/zinc/64/80/15/392648015.db2.gz ATQALOZUTZVQSX-LBPRGKRZSA-N 1 2 263.341 1.091 20 30 CDEDLO Cc1cc(N2CCc3c(C#N)c(N)sc3C2)nc[nH+]1 ZINC000301245765 392741315 /nfs/dbraw/zinc/74/13/15/392741315.db2.gz OBBGHHWISLPICN-UHFFFAOYSA-N 1 2 271.349 1.863 20 30 CDEDLO Cc1cc(N2CCC[C@H](Cn3ccnn3)C2)c(C#N)c[nH+]1 ZINC000425243061 393002584 /nfs/dbraw/zinc/00/25/84/393002584.db2.gz DQPINUWWXDBUMH-ZDUSSCGKSA-N 1 2 282.351 1.770 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000253296669 140333529 /nfs/dbraw/zinc/33/35/29/140333529.db2.gz TWSWXKSZWUAXAF-RISCZKNCSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000253296669 140333530 /nfs/dbraw/zinc/33/35/30/140333530.db2.gz TWSWXKSZWUAXAF-RISCZKNCSA-N 1 2 276.336 1.148 20 30 CDEDLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCOc1ccccc1C#N ZINC000187038276 397724169 /nfs/dbraw/zinc/72/41/69/397724169.db2.gz CFDDVYGKQYRXFM-GFCCVEGCSA-N 1 2 273.336 1.100 20 30 CDEDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCOc1ccccc1C#N ZINC000187038276 397724171 /nfs/dbraw/zinc/72/41/71/397724171.db2.gz CFDDVYGKQYRXFM-GFCCVEGCSA-N 1 2 273.336 1.100 20 30 CDEDLO Cc1noc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)n1 ZINC000348109238 153780145 /nfs/dbraw/zinc/78/01/45/153780145.db2.gz KQORSJIXTZLSEK-ZJUUUORDSA-N 1 2 299.334 1.928 20 30 CDEDLO C[C@@H]1COCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000374334006 160274941 /nfs/dbraw/zinc/27/49/41/160274941.db2.gz SRVMPJHMCLGYTB-LBPRGKRZSA-N 1 2 273.336 1.465 20 30 CDEDLO C[C@@H]1COCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000374334006 160274942 /nfs/dbraw/zinc/27/49/42/160274942.db2.gz SRVMPJHMCLGYTB-LBPRGKRZSA-N 1 2 273.336 1.465 20 30 CDEDLO C[C@H](c1cnccn1)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000374566544 160296823 /nfs/dbraw/zinc/29/68/23/160296823.db2.gz QDZFIHUZJIHKLV-CYBMUJFWSA-N 1 2 294.362 1.626 20 30 CDEDLO CC#CC[C@@H](CO)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000655161436 414134794 /nfs/dbraw/zinc/13/47/94/414134794.db2.gz WMPFJPYGNWXPLX-ZDUSSCGKSA-N 1 2 271.320 1.147 20 30 CDEDLO O=C(NC[C@H]1CCCC1=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000330078782 228034874 /nfs/dbraw/zinc/03/48/74/228034874.db2.gz IFBIDSJEGHJXDE-OCCSQVGLSA-N 1 2 294.395 1.956 20 30 CDEDLO O=C(NC[C@H]1CCCC1=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000330078782 228034877 /nfs/dbraw/zinc/03/48/77/228034877.db2.gz IFBIDSJEGHJXDE-OCCSQVGLSA-N 1 2 294.395 1.956 20 30 CDEDLO [O-]C(NC1Cc2ccccc2C1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330198527 228063417 /nfs/dbraw/zinc/06/34/17/228063417.db2.gz UERZHGBXHHNUBK-AWEZNQCLSA-N 1 2 296.374 1.869 20 30 CDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C1Cc2ccccc2C1 ZINC000330198527 228063418 /nfs/dbraw/zinc/06/34/18/228063418.db2.gz UERZHGBXHHNUBK-AWEZNQCLSA-N 1 2 296.374 1.869 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)C2(C)COC2)CCO1 ZINC000330324868 228147504 /nfs/dbraw/zinc/14/75/04/228147504.db2.gz IUTSBDTVHIQZQR-JQWIXIFHSA-N 1 2 279.340 1.633 20 30 CDEDLO CCN(CCC#N)C(=O)C[NH2+]C(C)(C)c1nccs1 ZINC000072662591 260277574 /nfs/dbraw/zinc/27/75/74/260277574.db2.gz CNZBFKKUTYEVFC-UHFFFAOYSA-N 1 2 280.397 1.730 20 30 CDEDLO C[C@@H](O[NH+]=C(N)c1cccc(Cl)c1)C(=O)NC1CC1 ZINC000078534847 260300777 /nfs/dbraw/zinc/30/07/77/260300777.db2.gz DTBQPUOZSNFNQU-MRVPVSSYSA-N 1 2 281.743 1.644 20 30 CDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccc(F)cc1 ZINC000078670581 260301889 /nfs/dbraw/zinc/30/18/89/260301889.db2.gz QQMLGCNFDPDBAR-UHFFFAOYSA-N 1 2 267.304 1.529 20 30 CDEDLO Cc1ccc2[nH+]cc(CN3CCN(CC#N)CC3)n2c1 ZINC000092936562 260504681 /nfs/dbraw/zinc/50/46/81/260504681.db2.gz IGZDOVHYJPGJEZ-UHFFFAOYSA-N 1 2 269.352 1.284 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2c(F)cccc2C1 ZINC000152858653 261070792 /nfs/dbraw/zinc/07/07/92/261070792.db2.gz CDVNNOSSSWPPLI-UHFFFAOYSA-N 1 2 289.354 1.946 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2c(F)cccc2C1 ZINC000152858653 261070793 /nfs/dbraw/zinc/07/07/93/261070793.db2.gz CDVNNOSSSWPPLI-UHFFFAOYSA-N 1 2 289.354 1.946 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cncs1 ZINC000154753280 261094604 /nfs/dbraw/zinc/09/46/04/261094604.db2.gz IMWKCAYZDJBRFS-UHFFFAOYSA-N 1 2 280.397 1.191 20 30 CDEDLO Cc1nnc([C@@H](C)O[NH+]=C(N)c2ccc3c(c2)CCO3)o1 ZINC000158205040 261160730 /nfs/dbraw/zinc/16/07/30/261160730.db2.gz JWCZRTPEWLYJIT-MRVPVSSYSA-N 1 2 288.307 1.711 20 30 CDEDLO Cc1cnc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)s1 ZINC000184997780 262036231 /nfs/dbraw/zinc/03/62/31/262036231.db2.gz JUCGGXQHVSACIP-HZMBPMFUSA-N 1 2 292.408 1.911 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)c1[nH]c(C)c(C(=O)OCC)c1C ZINC000491791888 262054581 /nfs/dbraw/zinc/05/45/81/262054581.db2.gz CJHPKBFMUPJPQI-SNVBAGLBSA-N 1 2 290.363 1.944 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)c1[nH]c(C)c(C(=O)OCC)c1C ZINC000491791888 262054583 /nfs/dbraw/zinc/05/45/83/262054583.db2.gz CJHPKBFMUPJPQI-SNVBAGLBSA-N 1 2 290.363 1.944 20 30 CDEDLO Cc1nc(CC(N)=[NH+]OCCOCC(F)F)cs1 ZINC000189251150 262169754 /nfs/dbraw/zinc/16/97/54/262169754.db2.gz OLPTZMPXNWJTEP-UHFFFAOYSA-N 1 2 279.312 1.565 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000337460397 262452832 /nfs/dbraw/zinc/45/28/32/262452832.db2.gz PADWWBCOVKHICO-UHFFFAOYSA-N 1 2 262.328 1.794 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCc2cc(F)cc(C)c2C1 ZINC000337460397 262452834 /nfs/dbraw/zinc/45/28/34/262452834.db2.gz PADWWBCOVKHICO-UHFFFAOYSA-N 1 2 262.328 1.794 20 30 CDEDLO C[C@@H]1CCN(C(=O)NCCCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000273209527 263014052 /nfs/dbraw/zinc/01/40/52/263014052.db2.gz JPPBOFLIONGQFA-OLZOCXBDSA-N 1 2 275.356 1.779 20 30 CDEDLO C[C@@H]1C[N@H+](CCOc2ccccc2C#N)CC[S@](=O)C1 ZINC000277573239 263042093 /nfs/dbraw/zinc/04/20/93/263042093.db2.gz VFADCKKWAMQWRZ-XCLFUZPHSA-N 1 2 292.404 1.637 20 30 CDEDLO C[C@@H]1C[N@@H+](CCOc2ccccc2C#N)CC[S@](=O)C1 ZINC000277573239 263042094 /nfs/dbraw/zinc/04/20/94/263042094.db2.gz VFADCKKWAMQWRZ-XCLFUZPHSA-N 1 2 292.404 1.637 20 30 CDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCCC(C)(C)C#N ZINC000281809076 263072043 /nfs/dbraw/zinc/07/20/43/263072043.db2.gz GTSUWWAAGKAEHH-UHFFFAOYSA-N 1 2 254.334 1.130 20 30 CDEDLO NC(Cc1ccc(Cl)cc1)=[NH+]OC[C@@H]1CNC(=O)O1 ZINC000282250111 263075348 /nfs/dbraw/zinc/07/53/48/263075348.db2.gz MUMQUIRMKOUGLS-JTQLQIEISA-N 1 2 283.715 1.280 20 30 CDEDLO NC(=[NH+]OCC(=O)Nc1cccc(Cl)c1)[C@H]1CCCO1 ZINC000284060989 263085701 /nfs/dbraw/zinc/08/57/01/263085701.db2.gz JRHXEKUGDVBKPC-LLVKDONJSA-N 1 2 297.742 1.746 20 30 CDEDLO NC(=[NH+]OCc1ccc(CO)cc1)[C@@H]1CCCO1 ZINC000284069927 263085753 /nfs/dbraw/zinc/08/57/53/263085753.db2.gz KAOVHTCVYIXLND-LBPRGKRZSA-N 1 2 250.298 1.147 20 30 CDEDLO C=CCN1CC[C@H](O[NH+]=C(N)[C@H](C)OCC(C)C)C1=O ZINC000289330534 263109291 /nfs/dbraw/zinc/10/92/91/263109291.db2.gz DNASOIJAXPSERH-RYUDHWBXSA-N 1 2 283.372 1.123 20 30 CDEDLO N#CCC[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000298864641 263227085 /nfs/dbraw/zinc/22/70/85/263227085.db2.gz JGTJMYNHTSOVKN-LLVKDONJSA-N 1 2 269.142 1.986 20 30 CDEDLO N#CCC[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000299552574 263246911 /nfs/dbraw/zinc/24/69/11/263246911.db2.gz GDRZXPCOBPDWQV-CQSZACIVSA-N 1 2 257.337 1.853 20 30 CDEDLO CC1(C)COCCN1CC#CC[N@@H+]1CCOCC1(C)C ZINC000341836820 263356999 /nfs/dbraw/zinc/35/69/99/263356999.db2.gz YHCQLDATMCHDSK-UHFFFAOYSA-N 1 2 280.412 1.211 20 30 CDEDLO CC1(C)COCCN1CC#CC[N@H+]1CCOCC1(C)C ZINC000341836820 263357001 /nfs/dbraw/zinc/35/70/01/263357001.db2.gz YHCQLDATMCHDSK-UHFFFAOYSA-N 1 2 280.412 1.211 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)C[C@H]1CCCS(=O)(=O)C1 ZINC000341874559 263360878 /nfs/dbraw/zinc/36/08/78/263360878.db2.gz JQUPFKOHOPOFJM-VXGBXAGGSA-N 1 2 258.387 1.293 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)C[C@H]1CCCS(=O)(=O)C1 ZINC000341874559 263360881 /nfs/dbraw/zinc/36/08/81/263360881.db2.gz JQUPFKOHOPOFJM-VXGBXAGGSA-N 1 2 258.387 1.293 20 30 CDEDLO C=C(C)CS[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000341923389 263367022 /nfs/dbraw/zinc/36/70/22/263367022.db2.gz HLAVPCHGJFEEAO-LBPRGKRZSA-N 1 2 256.415 1.848 20 30 CDEDLO COCC1(C#N)CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000341979361 263369616 /nfs/dbraw/zinc/36/96/16/263369616.db2.gz OICOAZDVEAUNSC-CYBMUJFWSA-N 1 2 260.341 1.682 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000342177063 263392400 /nfs/dbraw/zinc/39/24/00/263392400.db2.gz HGBBOYCSSYSWFG-ZDUSSCGKSA-N 1 2 287.363 1.646 20 30 CDEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCCCO1 ZINC000328710938 263848580 /nfs/dbraw/zinc/84/85/80/263848580.db2.gz RDUROUMLWBSAGB-UHFFFAOYSA-N 1 2 266.345 1.981 20 30 CDEDLO CCc1nn(C)cc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330631980 264000138 /nfs/dbraw/zinc/00/01/38/264000138.db2.gz GYHNRWSIMMHGFH-LLVKDONJSA-N 1 2 280.372 1.008 20 30 CDEDLO CCc1nn(C)cc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330631980 264000139 /nfs/dbraw/zinc/00/01/39/264000139.db2.gz GYHNRWSIMMHGFH-LLVKDONJSA-N 1 2 280.372 1.008 20 30 CDEDLO CCOC(=O)[C@H](NC(=O)c1c[nH+]c(C)[nH]1)[C@@H]1CCCOC1 ZINC000330768396 264033332 /nfs/dbraw/zinc/03/33/32/264033332.db2.gz MEOKNLFNPRULDT-ZYHUDNBSSA-N 1 2 295.339 1.381 20 30 CDEDLO Cc1oc(NC(=O)C[NH2+][C@H]2CCC[C@H]2C#N)c(C#N)c1C ZINC000331359721 264209189 /nfs/dbraw/zinc/20/91/89/264209189.db2.gz WWDXUKLVLLCHPA-AAEUAGOBSA-N 1 2 286.335 1.989 20 30 CDEDLO C=CCCn1cc(C(=O)NCc2c[nH+]ccc2OC)nn1 ZINC000424855230 264231839 /nfs/dbraw/zinc/23/18/39/264231839.db2.gz XZBHNUKCWJOGSR-UHFFFAOYSA-N 1 2 287.323 1.188 20 30 CDEDLO C=C[C@H](CO)Nc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000357609407 266335300 /nfs/dbraw/zinc/33/53/00/266335300.db2.gz VPETZIUJLCISIQ-GFCCVEGCSA-N 1 2 256.309 1.228 20 30 CDEDLO C=CCCC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000357765180 266357188 /nfs/dbraw/zinc/35/71/88/266357188.db2.gz WFZLGOHCHQLBND-UHFFFAOYSA-N 1 2 262.357 1.031 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000370034182 267285254 /nfs/dbraw/zinc/28/52/54/267285254.db2.gz XBYHXOGBFXIJHW-HIFRSBDPSA-N 1 2 278.396 1.686 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000370034182 267285255 /nfs/dbraw/zinc/28/52/55/267285255.db2.gz XBYHXOGBFXIJHW-HIFRSBDPSA-N 1 2 278.396 1.686 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)CSCC#N)CCC2 ZINC000371255209 267378395 /nfs/dbraw/zinc/37/83/95/267378395.db2.gz FLPMGFPQHZAZOV-LLVKDONJSA-N 1 2 278.381 1.442 20 30 CDEDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192025118 276388166 /nfs/dbraw/zinc/38/81/66/276388166.db2.gz SFIOOFXICJPNDV-LLVKDONJSA-N 1 2 298.383 1.952 20 30 CDEDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192025118 276388168 /nfs/dbraw/zinc/38/81/68/276388168.db2.gz SFIOOFXICJPNDV-LLVKDONJSA-N 1 2 298.383 1.952 20 30 CDEDLO CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000335774323 277247047 /nfs/dbraw/zinc/24/70/47/277247047.db2.gz BXWFNBYKOPDNAS-MNOVXSKESA-N 1 2 260.341 1.500 20 30 CDEDLO C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000295101269 277694799 /nfs/dbraw/zinc/69/47/99/277694799.db2.gz HDINBQIVMAFXGX-ZIAGYGMSSA-N 1 2 289.379 1.995 20 30 CDEDLO Cc1ncccc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330335335 279167780 /nfs/dbraw/zinc/16/77/80/279167780.db2.gz YYZACACFBQZVOT-LLVKDONJSA-N 1 2 256.309 1.906 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000552482396 290072977 /nfs/dbraw/zinc/07/29/77/290072977.db2.gz HQUCNPPZUKGOPL-UHFFFAOYSA-N 1 2 267.292 1.114 20 30 CDEDLO Cc1ccn2cc(CNc3ncncc3C#N)[nH+]c2c1 ZINC000561882354 293105332 /nfs/dbraw/zinc/10/53/32/293105332.db2.gz HEBFQGCJIYFQCZ-UHFFFAOYSA-N 1 2 264.292 1.338 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1N(c2ccnc(C#N)n2)CC1(C)C ZINC000573697580 294871059 /nfs/dbraw/zinc/87/10/59/294871059.db2.gz VQMZYJZMTPXTRW-GFCCVEGCSA-N 1 2 268.324 1.669 20 30 CDEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1COc2ccccc2O1 ZINC000330324325 295385793 /nfs/dbraw/zinc/38/57/93/295385793.db2.gz UCIIQIOOUIPHSO-BXUZGUMPSA-N 1 2 299.330 1.994 20 30 CDEDLO Cc1ccc(Cc2noc([C@@H](C)n3cnc(C#N)n3)n2)c[nH+]1 ZINC000350010327 316143320 /nfs/dbraw/zinc/14/33/20/316143320.db2.gz FQDANLIOJAFAPQ-SNVBAGLBSA-N 1 2 295.306 1.436 20 30 CDEDLO N#Cc1cnn2c1NC[C@@H](C[N@H+]1CCC[C@@H]1C(F)F)C2 ZINC000582964374 325079101 /nfs/dbraw/zinc/07/91/01/325079101.db2.gz AXTAFXDRPPRTRC-GXSJLCMTSA-N 1 2 281.310 1.526 20 30 CDEDLO N#Cc1cnn2c1NC[C@@H](C[N@@H+]1CCC[C@@H]1C(F)F)C2 ZINC000582964374 325079104 /nfs/dbraw/zinc/07/91/04/325079104.db2.gz AXTAFXDRPPRTRC-GXSJLCMTSA-N 1 2 281.310 1.526 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000569488601 327185691 /nfs/dbraw/zinc/18/56/91/327185691.db2.gz CTGGTESSCTWCAT-UXLLHSPISA-N 1 2 296.374 1.622 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cnn(C)c1C(F)(F)F ZINC000151904389 327522820 /nfs/dbraw/zinc/52/28/20/327522820.db2.gz HPBKKPYVSDQLGJ-UHFFFAOYSA-N 1 2 255.243 1.507 20 30 CDEDLO Cc1cc(C#N)ccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000582533628 329107991 /nfs/dbraw/zinc/10/79/91/329107991.db2.gz GNKMEQHZHQEYQN-AWEZNQCLSA-N 1 2 273.336 1.452 20 30 CDEDLO Cc1cc(C#N)ccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000582533628 329107993 /nfs/dbraw/zinc/10/79/93/329107993.db2.gz GNKMEQHZHQEYQN-AWEZNQCLSA-N 1 2 273.336 1.452 20 30 CDEDLO CC[C@H](C)[C@@H](C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000183973790 329251922 /nfs/dbraw/zinc/25/19/22/329251922.db2.gz YYBBUAOTBYWNCW-LSDHHAIUSA-N 1 2 295.427 1.743 20 30 CDEDLO C=CCC1(C(=O)NCC(C)(C)[NH+]2CCOCC2)CCC1 ZINC000190595884 329398440 /nfs/dbraw/zinc/39/84/40/329398440.db2.gz FNGLHIRLFHKSTI-UHFFFAOYSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CCn1cc(CNC(=O)Nc2cc(C)[nH+]cc2C)nn1 ZINC000583808904 329480082 /nfs/dbraw/zinc/48/00/82/329480082.db2.gz PIEYBQFBFZHAJH-UHFFFAOYSA-N 1 2 286.339 1.220 20 30 CDEDLO C=CCNC(=O)C[N@H+]1Cc2ccccc2OC[C@@H]1C ZINC000273044255 330090076 /nfs/dbraw/zinc/09/00/76/330090076.db2.gz XKNKFHSNPHYAJQ-LBPRGKRZSA-N 1 2 260.337 1.572 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1Cc2ccccc2OC[C@@H]1C ZINC000273044255 330090077 /nfs/dbraw/zinc/09/00/77/330090077.db2.gz XKNKFHSNPHYAJQ-LBPRGKRZSA-N 1 2 260.337 1.572 20 30 CDEDLO C=C(CC)CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000459071502 331269128 /nfs/dbraw/zinc/26/91/28/331269128.db2.gz HAVSWNTZPOIHEZ-UHFFFAOYSA-N 1 2 277.372 1.203 20 30 CDEDLO C=CC[N@@H+](CCOC)[C@H](C(=O)OC)C1(OC)CCC1 ZINC000459419579 331280593 /nfs/dbraw/zinc/28/05/93/331280593.db2.gz JQSJIGYVAUWIHQ-GFCCVEGCSA-N 1 2 271.357 1.232 20 30 CDEDLO C=CC[N@H+](CCOC)[C@H](C(=O)OC)C1(OC)CCC1 ZINC000459419579 331280594 /nfs/dbraw/zinc/28/05/94/331280594.db2.gz JQSJIGYVAUWIHQ-GFCCVEGCSA-N 1 2 271.357 1.232 20 30 CDEDLO C#CCN(CC#CC)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000490715631 332108032 /nfs/dbraw/zinc/10/80/32/332108032.db2.gz YDTCGCMPJCYBNX-UHFFFAOYSA-N 1 2 294.358 1.811 20 30 CDEDLO C#CCN(C(=O)N[C@H](C)Cn1cc[nH+]c1)C1CCCC1 ZINC000490830882 332118488 /nfs/dbraw/zinc/11/84/88/332118488.db2.gz NKZIEDDNHXRWEU-CYBMUJFWSA-N 1 2 274.368 1.859 20 30 CDEDLO C#CCN(CC)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000490915763 332128631 /nfs/dbraw/zinc/12/86/31/332128631.db2.gz PCLYGGVHAGKRLB-UHFFFAOYSA-N 1 2 254.293 1.363 20 30 CDEDLO C#CCNC(=O)CC[NH2+][C@H](C)c1noc(-c2ccccc2)n1 ZINC000491068278 332145188 /nfs/dbraw/zinc/14/51/88/332145188.db2.gz NNWUBXDXUGYSQN-GFCCVEGCSA-N 1 2 298.346 1.527 20 30 CDEDLO C#C[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)c1ccc(F)cc1 ZINC000491240880 332172302 /nfs/dbraw/zinc/17/23/02/332172302.db2.gz DPRJSCCCYBZCOD-CYBMUJFWSA-N 1 2 271.295 1.890 20 30 CDEDLO C#C[C@@H](NC(=O)Cc1[nH+]c[nH]c1C)c1ccc(F)cc1 ZINC000491240880 332172303 /nfs/dbraw/zinc/17/23/03/332172303.db2.gz DPRJSCCCYBZCOD-CYBMUJFWSA-N 1 2 271.295 1.890 20 30 CDEDLO C#C[C@H](CC)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000491325300 332189539 /nfs/dbraw/zinc/18/95/39/332189539.db2.gz BJKPJFKKPCVTJZ-CQSZACIVSA-N 1 2 286.379 1.893 20 30 CDEDLO C#C[C@H](NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC000491396022 332204433 /nfs/dbraw/zinc/20/44/33/332204433.db2.gz WHMOLGYSXZMLNG-KBPBESRZSA-N 1 2 281.400 1.006 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cc(C)ccc1OC ZINC000491441994 332212558 /nfs/dbraw/zinc/21/25/58/332212558.db2.gz YUZABMPJHIECAS-LBPRGKRZSA-N 1 2 260.337 1.896 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cc(C)ccc1OC ZINC000491441994 332212559 /nfs/dbraw/zinc/21/25/59/332212559.db2.gz YUZABMPJHIECAS-LBPRGKRZSA-N 1 2 260.337 1.896 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000491453957 332214841 /nfs/dbraw/zinc/21/48/41/332214841.db2.gz USWZZUAVOZJESR-INIZCTEOSA-N 1 2 268.360 1.669 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000491453957 332214842 /nfs/dbraw/zinc/21/48/42/332214842.db2.gz USWZZUAVOZJESR-INIZCTEOSA-N 1 2 268.360 1.669 20 30 CDEDLO C#CCNC(=O)C1CC[NH+]([C@H](C)c2nc(CC)no2)CC1 ZINC000491623516 332248096 /nfs/dbraw/zinc/24/80/96/332248096.db2.gz IPAVOGQTJYRNIL-LLVKDONJSA-N 1 2 290.367 1.154 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000491625090 332248878 /nfs/dbraw/zinc/24/88/78/332248878.db2.gz HOSOAFCPDCQGDA-QMMMGPOBSA-N 1 2 258.325 1.875 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000491625090 332248880 /nfs/dbraw/zinc/24/88/80/332248880.db2.gz HOSOAFCPDCQGDA-QMMMGPOBSA-N 1 2 258.325 1.875 20 30 CDEDLO C#CC[N@@H+](CCCCC=C)[C@H]1CCS(=O)(=O)C1 ZINC000491755208 332329807 /nfs/dbraw/zinc/32/98/07/332329807.db2.gz YXLXMQJIOMIAQS-ZDUSSCGKSA-N 1 2 255.383 1.465 20 30 CDEDLO C#CC[N@H+](CCCCC=C)[C@H]1CCS(=O)(=O)C1 ZINC000491755208 332329808 /nfs/dbraw/zinc/32/98/08/332329808.db2.gz YXLXMQJIOMIAQS-ZDUSSCGKSA-N 1 2 255.383 1.465 20 30 CDEDLO C#C[C@@H](NC(=O)C(C)(C)[NH+]1CCOCC1)C(C)(C)C ZINC000491769360 332336545 /nfs/dbraw/zinc/33/65/45/332336545.db2.gz LHZHOKUMGICTIC-GFCCVEGCSA-N 1 2 266.385 1.261 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000491773525 332339544 /nfs/dbraw/zinc/33/95/44/332339544.db2.gz VWRYEJDDAUFUOQ-HZPDHXFCSA-N 1 2 282.387 1.863 20 30 CDEDLO C#C[C@@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)C(C)(C)C ZINC000491782170 332345756 /nfs/dbraw/zinc/34/57/56/332345756.db2.gz OKXMIEPFLCPFOQ-QWHCGFSZSA-N 1 2 288.395 1.967 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(-c2cnn(C)c2)s1 ZINC000491783615 332347016 /nfs/dbraw/zinc/34/70/16/332347016.db2.gz PPVNUXXNVURKAX-ZDUSSCGKSA-N 1 2 287.388 1.983 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(-c2cnn(C)c2)s1 ZINC000491783615 332347017 /nfs/dbraw/zinc/34/70/17/332347017.db2.gz PPVNUXXNVURKAX-ZDUSSCGKSA-N 1 2 287.388 1.983 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000491792545 332353104 /nfs/dbraw/zinc/35/31/04/332353104.db2.gz GNANNKISPPBAHB-BFHYXJOUSA-N 1 2 276.380 1.458 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000491792545 332353106 /nfs/dbraw/zinc/35/31/06/332353106.db2.gz GNANNKISPPBAHB-BFHYXJOUSA-N 1 2 276.380 1.458 20 30 CDEDLO CC(C)[C@H](C=[NH+]n1ccnn1)CNC(=O)OC(C)(C)C ZINC000496383674 332548036 /nfs/dbraw/zinc/54/80/36/332548036.db2.gz XKROEHPJQXZLOW-NSHDSACASA-N 1 2 281.360 1.909 20 30 CDEDLO CC(=O)Cc1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000575806601 335117287 /nfs/dbraw/zinc/11/72/87/335117287.db2.gz KAVLKWPNGSWNOG-HNNXBMFYSA-N 1 2 290.363 1.403 20 30 CDEDLO CC(=O)Cc1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000575806601 335117288 /nfs/dbraw/zinc/11/72/88/335117288.db2.gz KAVLKWPNGSWNOG-HNNXBMFYSA-N 1 2 290.363 1.403 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(OC)cc1 ZINC000517390584 333098493 /nfs/dbraw/zinc/09/84/93/333098493.db2.gz FXSFCLYBSKWSOQ-LLVKDONJSA-N 1 2 261.325 1.916 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000192221772 333232706 /nfs/dbraw/zinc/23/27/06/333232706.db2.gz LAMUZOJJZKMEHR-UHFFFAOYSA-N 1 2 285.347 1.317 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000192221772 333232707 /nfs/dbraw/zinc/23/27/07/333232707.db2.gz LAMUZOJJZKMEHR-UHFFFAOYSA-N 1 2 285.347 1.317 20 30 CDEDLO C[C@@H](C#N)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000542876827 333847248 /nfs/dbraw/zinc/84/72/48/333847248.db2.gz IDAKFNCQYMEFHJ-GXTWGEPZSA-N 1 2 297.362 1.968 20 30 CDEDLO C[NH+]1CCC(C#N)(NC(=O)c2cc(F)c(O)c(F)c2)CC1 ZINC000546564337 334038366 /nfs/dbraw/zinc/03/83/66/334038366.db2.gz QFWRBJIGHAKOGX-UHFFFAOYSA-N 1 2 295.289 1.388 20 30 CDEDLO COc1ccc(Cl)cc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000565751379 334593414 /nfs/dbraw/zinc/59/34/14/334593414.db2.gz QGVPIFLRVQINMH-CQSZACIVSA-N 1 2 295.770 1.922 20 30 CDEDLO C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1cccs1 ZINC000577161568 335312543 /nfs/dbraw/zinc/31/25/43/335312543.db2.gz VTIPAFWGMXLFKS-MFKMUULPSA-N 1 2 265.382 1.812 20 30 CDEDLO C[C@H](CC(=O)N1CCC(C)(C#N)CC1)n1cc[nH+]c1 ZINC000580838149 335973587 /nfs/dbraw/zinc/97/35/87/335973587.db2.gz WSDQQXWCOCCCHV-GFCCVEGCSA-N 1 2 260.341 1.986 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CSc1ccc(F)cc1 ZINC000581887439 336160130 /nfs/dbraw/zinc/16/01/30/336160130.db2.gz QICVISSWENCZEF-AWEZNQCLSA-N 1 2 295.383 1.878 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C(C)C)C2)C1 ZINC000972583337 1159270485 /nfs/dbraw/zinc/27/04/85/1159270485.db2.gz UJVOPMQHIASKKY-ZBFHGGJFSA-N 1 2 278.396 1.215 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C(C)C)C2)C1 ZINC000972583337 1159270488 /nfs/dbraw/zinc/27/04/88/1159270488.db2.gz UJVOPMQHIASKKY-ZBFHGGJFSA-N 1 2 278.396 1.215 20 30 CDEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001754777900 1159453737 /nfs/dbraw/zinc/45/37/37/1159453737.db2.gz GTXGGKAYXLORLK-SHTZXODSSA-N 1 2 292.423 1.389 20 30 CDEDLO C#CC[NH2+][C@@H]1CCCCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001088317383 1160365398 /nfs/dbraw/zinc/36/53/98/1160365398.db2.gz ZZTVMFLFEWXDLT-GHMZBOCLSA-N 1 2 294.292 1.881 20 30 CDEDLO C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001088317383 1160365404 /nfs/dbraw/zinc/36/54/04/1160365404.db2.gz ZZTVMFLFEWXDLT-GHMZBOCLSA-N 1 2 294.292 1.881 20 30 CDEDLO COc1cc(F)cc(NC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC001771740093 1160487734 /nfs/dbraw/zinc/48/77/34/1160487734.db2.gz BDEDEAUFULJMIF-CYBMUJFWSA-N 1 2 281.331 1.453 20 30 CDEDLO COc1cc(F)cc(NC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC001771740093 1160487737 /nfs/dbraw/zinc/48/77/37/1160487737.db2.gz BDEDEAUFULJMIF-CYBMUJFWSA-N 1 2 281.331 1.453 20 30 CDEDLO COCC#CC[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000677132527 482468214 /nfs/dbraw/zinc/46/82/14/482468214.db2.gz CMLKOLLJZCYZKW-UHFFFAOYSA-N 1 2 272.348 1.094 20 30 CDEDLO COCC#CC[N@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000677132815 482468792 /nfs/dbraw/zinc/46/87/92/482468792.db2.gz SSDDMVDNQQZNPT-ZDUSSCGKSA-N 1 2 295.404 1.733 20 30 CDEDLO COCC#CC[N@@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000677132815 482468793 /nfs/dbraw/zinc/46/87/93/482468793.db2.gz SSDDMVDNQQZNPT-ZDUSSCGKSA-N 1 2 295.404 1.733 20 30 CDEDLO CCOc1ccccc1N1CC[NH+](CC#CCOC)CC1 ZINC000677132598 482542758 /nfs/dbraw/zinc/54/27/58/482542758.db2.gz IEHWXCWJTAISIC-UHFFFAOYSA-N 1 2 288.391 1.857 20 30 CDEDLO C=CCC[C@@H](CO)Nc1nc[nH+]c2c1OCCN2 ZINC000665722595 482575697 /nfs/dbraw/zinc/57/56/97/482575697.db2.gz LDHNJIOHGKHVTM-VIFPVBQESA-N 1 2 250.302 1.020 20 30 CDEDLO C=CCC[C@@H](CO)Nc1[nH+]cnc2c1OCCN2 ZINC000665722595 482575708 /nfs/dbraw/zinc/57/57/08/482575708.db2.gz LDHNJIOHGKHVTM-VIFPVBQESA-N 1 2 250.302 1.020 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2cn(C)nc2C)nn1 ZINC000653602014 483271838 /nfs/dbraw/zinc/27/18/38/483271838.db2.gz IPJPXYKAZXEDQN-NSHDSACASA-N 1 2 274.372 1.747 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2sc(C)nc2C)CC1 ZINC000989628311 1160706038 /nfs/dbraw/zinc/70/60/38/1160706038.db2.gz XUSQJJZVRZEMRE-UHFFFAOYSA-N 1 2 291.420 1.931 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2sc(C)nc2C)CC1 ZINC000989628311 1160706042 /nfs/dbraw/zinc/70/60/42/1160706042.db2.gz XUSQJJZVRZEMRE-UHFFFAOYSA-N 1 2 291.420 1.931 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C2(c3cccc(F)c3)CC2)C1 ZINC001031041929 1161127636 /nfs/dbraw/zinc/12/76/36/1161127636.db2.gz FAGKSFWZYDHWHK-UHFFFAOYSA-N 1 2 286.350 1.681 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2[nH]nc(C)c2C)[C@@H]1C ZINC000993143574 1161144925 /nfs/dbraw/zinc/14/49/25/1161144925.db2.gz UODVYGSAMDQLJQ-KBPBESRZSA-N 1 2 288.395 1.633 20 30 CDEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2[nH]nc(C)c2C)[C@@H]1C ZINC000993143574 1161144930 /nfs/dbraw/zinc/14/49/30/1161144930.db2.gz UODVYGSAMDQLJQ-KBPBESRZSA-N 1 2 288.395 1.633 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccc(C)nn1 ZINC001713451097 1178571169 /nfs/dbraw/zinc/57/11/69/1178571169.db2.gz AUEPVTKTAMQLTM-UHFFFAOYSA-N 1 2 268.748 1.199 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccc(C)nn1 ZINC001713451097 1178571172 /nfs/dbraw/zinc/57/11/72/1178571172.db2.gz AUEPVTKTAMQLTM-UHFFFAOYSA-N 1 2 268.748 1.199 20 30 CDEDLO CC(C)[C@](C)(C#N)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC001169857500 1162018193 /nfs/dbraw/zinc/01/81/93/1162018193.db2.gz LMMAYXBIJGGAAN-BPCQOVAHSA-N 1 2 272.414 1.870 20 30 CDEDLO Cc1cc(C)n([C@@H](C)CC(=O)N[C@](C)(C#N)C[NH+](C)C)n1 ZINC000573854159 518186912 /nfs/dbraw/zinc/18/69/12/518186912.db2.gz QJHNBYYOGPIAJP-DZGCQCFKSA-N 1 2 291.399 1.411 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH2+][C@H](COC)c1ccc(C)o1 ZINC000184689266 518284335 /nfs/dbraw/zinc/28/43/35/518284335.db2.gz PTSGGKIPXFXWQW-NWDGAFQWSA-N 1 2 264.325 1.003 20 30 CDEDLO COc1cc(OC)c(OC)cc1C=NNc1[nH+]ccn1C ZINC000790305879 1162143641 /nfs/dbraw/zinc/14/36/41/1162143641.db2.gz PUHUJWJMVPFUCJ-UHFFFAOYSA-N 1 2 290.323 1.892 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000067230164 518649058 /nfs/dbraw/zinc/64/90/58/518649058.db2.gz CMOOAFHODBGWNH-LBPRGKRZSA-N 1 2 272.776 1.452 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000067230164 518649064 /nfs/dbraw/zinc/64/90/64/518649064.db2.gz CMOOAFHODBGWNH-LBPRGKRZSA-N 1 2 272.776 1.452 20 30 CDEDLO N#CC1(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CCC1 ZINC000333170133 534555155 /nfs/dbraw/zinc/55/51/55/534555155.db2.gz NNOBGACIEQJUTP-AWEZNQCLSA-N 1 2 291.395 1.440 20 30 CDEDLO N#CC1(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CCC1 ZINC000333170133 534555164 /nfs/dbraw/zinc/55/51/64/534555164.db2.gz NNOBGACIEQJUTP-AWEZNQCLSA-N 1 2 291.395 1.440 20 30 CDEDLO N#CC1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000330075066 534586131 /nfs/dbraw/zinc/58/61/31/534586131.db2.gz GCVKVLRGFDFLTR-HNNXBMFYSA-N 1 2 291.395 1.392 20 30 CDEDLO N#CC1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000330075066 534586134 /nfs/dbraw/zinc/58/61/34/534586134.db2.gz GCVKVLRGFDFLTR-HNNXBMFYSA-N 1 2 291.395 1.392 20 30 CDEDLO COCC[C@H]1COCC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC000365834438 521994741 /nfs/dbraw/zinc/99/47/41/521994741.db2.gz ANKHLWVASASCEU-HNNXBMFYSA-N 1 2 290.363 1.804 20 30 CDEDLO COCC[C@H]1COCC[N@H+]1Cc1cc(C#N)ccc1OC ZINC000365834438 521994749 /nfs/dbraw/zinc/99/47/49/521994749.db2.gz ANKHLWVASASCEU-HNNXBMFYSA-N 1 2 290.363 1.804 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000247940862 534822141 /nfs/dbraw/zinc/82/21/41/534822141.db2.gz GJSGNGBDYNGFFS-STQMWFEESA-N 1 2 252.358 1.296 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000247940862 534822146 /nfs/dbraw/zinc/82/21/46/534822146.db2.gz GJSGNGBDYNGFFS-STQMWFEESA-N 1 2 252.358 1.296 20 30 CDEDLO C=CC[NH+]1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000112705791 526456346 /nfs/dbraw/zinc/45/63/46/526456346.db2.gz VUYBFWJRXKVKRO-MRXNPFEDSA-N 1 2 285.391 1.596 20 30 CDEDLO C=CCN1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000112705791 526456349 /nfs/dbraw/zinc/45/63/49/526456349.db2.gz VUYBFWJRXKVKRO-MRXNPFEDSA-N 1 2 285.391 1.596 20 30 CDEDLO C=CCNC(=O)C[N@@H+](CC(=C)C)Cc1ccc(CO)o1 ZINC000352794344 526527407 /nfs/dbraw/zinc/52/74/07/526527407.db2.gz AKSSVAUSWFMQPA-UHFFFAOYSA-N 1 2 278.352 1.452 20 30 CDEDLO C=CCNC(=O)C[N@H+](CC(=C)C)Cc1ccc(CO)o1 ZINC000352794344 526527411 /nfs/dbraw/zinc/52/74/11/526527411.db2.gz AKSSVAUSWFMQPA-UHFFFAOYSA-N 1 2 278.352 1.452 20 30 CDEDLO C=C(C)C[N@H+](Cc1ccccc1)[C@H](C(=O)OC)[C@H](C)O ZINC000351955617 526569184 /nfs/dbraw/zinc/56/91/84/526569184.db2.gz CSSWHBQGRZPLFZ-ZFWWWQNUSA-N 1 2 277.364 1.987 20 30 CDEDLO C=C(C)C[N@@H+](Cc1ccccc1)[C@H](C(=O)OC)[C@H](C)O ZINC000351955617 526569187 /nfs/dbraw/zinc/56/91/87/526569187.db2.gz CSSWHBQGRZPLFZ-ZFWWWQNUSA-N 1 2 277.364 1.987 20 30 CDEDLO C=CCNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000114780361 526584799 /nfs/dbraw/zinc/58/47/99/526584799.db2.gz NKMINDOPUAFRJW-CYBMUJFWSA-N 1 2 274.368 1.656 20 30 CDEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H](C)C2CC2)CC1 ZINC000330086558 526624753 /nfs/dbraw/zinc/62/47/53/526624753.db2.gz MIZJQGHEVBRBTH-NSHDSACASA-N 1 2 267.373 1.153 20 30 CDEDLO N#Cc1ccc(NCc2cn3ccccc3[nH+]2)nn1 ZINC000156649412 526665409 /nfs/dbraw/zinc/66/54/09/526665409.db2.gz USGYOBVPVDVDFJ-UHFFFAOYSA-N 1 2 250.265 1.608 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCn2cc[nH+]c2C1 ZINC000333386076 526796380 /nfs/dbraw/zinc/79/63/80/526796380.db2.gz BRBNGKJKMRLNCL-JSGCOSHPSA-N 1 2 290.367 1.390 20 30 CDEDLO C=CCCC1(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000354586177 527093815 /nfs/dbraw/zinc/09/38/15/527093815.db2.gz OQCBYUXTWNLDDQ-ZDUSSCGKSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000347954850 527383554 /nfs/dbraw/zinc/38/35/54/527383554.db2.gz KPRUWTHAUQTHCR-WDEREUQCSA-N 1 2 251.330 1.958 20 30 CDEDLO C=C[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000354835711 527566050 /nfs/dbraw/zinc/56/60/50/527566050.db2.gz ATUMNIOZYAVBEH-AAEUAGOBSA-N 1 2 252.358 1.178 20 30 CDEDLO C=C[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000354835711 527566052 /nfs/dbraw/zinc/56/60/52/527566052.db2.gz ATUMNIOZYAVBEH-AAEUAGOBSA-N 1 2 252.358 1.178 20 30 CDEDLO C=C[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000354835716 527566948 /nfs/dbraw/zinc/56/69/48/527566948.db2.gz ATUMNIOZYAVBEH-WCQYABFASA-N 1 2 252.358 1.178 20 30 CDEDLO C=C[C@H](C)NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000354835716 527566955 /nfs/dbraw/zinc/56/69/55/527566955.db2.gz ATUMNIOZYAVBEH-WCQYABFASA-N 1 2 252.358 1.178 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000353556569 527622622 /nfs/dbraw/zinc/62/26/22/527622622.db2.gz DBPBUNJDISYHDT-SWLSCSKDSA-N 1 2 277.368 1.543 20 30 CDEDLO CC[C@@H]1CN(C(=O)NC[C@H](C)[NH+]2CCOCC2)CCCO1 ZINC000329256598 529345850 /nfs/dbraw/zinc/34/58/50/529345850.db2.gz DRAIOMGYSDUHFX-UONOGXRCSA-N 1 2 299.415 1.122 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)OC)cc1 ZINC000730096005 574848524 /nfs/dbraw/zinc/84/85/24/574848524.db2.gz YSNMIABUQBYPLX-AWEZNQCLSA-N 1 2 286.331 1.509 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)OC)cc1 ZINC000730096005 574848525 /nfs/dbraw/zinc/84/85/25/574848525.db2.gz YSNMIABUQBYPLX-AWEZNQCLSA-N 1 2 286.331 1.509 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(C)cc(C#N)c2)CC1 ZINC000491661902 574894216 /nfs/dbraw/zinc/89/42/16/574894216.db2.gz BGQMFFOUONLBTP-UHFFFAOYSA-N 1 2 296.374 1.056 20 30 CDEDLO Cc1ccn(C[N@H+]2CCCOC[C@@H]2C)c(=O)c1C#N ZINC000758235936 574915723 /nfs/dbraw/zinc/91/57/23/574915723.db2.gz BCGXOASNUREKJP-LBPRGKRZSA-N 1 2 261.325 1.097 20 30 CDEDLO Cc1ccn(C[N@@H+]2CCCOC[C@@H]2C)c(=O)c1C#N ZINC000758235936 574915724 /nfs/dbraw/zinc/91/57/24/574915724.db2.gz BCGXOASNUREKJP-LBPRGKRZSA-N 1 2 261.325 1.097 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000732666993 575093524 /nfs/dbraw/zinc/09/35/24/575093524.db2.gz IILPYJUHZFWGLE-LBPRGKRZSA-N 1 2 296.392 1.454 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000732666993 575093525 /nfs/dbraw/zinc/09/35/25/575093525.db2.gz IILPYJUHZFWGLE-LBPRGKRZSA-N 1 2 296.392 1.454 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CCNc2ccccc2C)CC1 ZINC000733162029 575102982 /nfs/dbraw/zinc/10/29/82/575102982.db2.gz BQKZAAOPOMLASH-UHFFFAOYSA-N 1 2 285.391 1.574 20 30 CDEDLO N#CCCN1CC[NH+](C[C@H](O)c2ccccc2F)CC1 ZINC000760944979 576527637 /nfs/dbraw/zinc/52/76/37/576527637.db2.gz UTGGYHDDVQQEDV-HNNXBMFYSA-N 1 2 277.343 1.390 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N(C)[C@@H](C)CC(C)C ZINC000744410498 576679515 /nfs/dbraw/zinc/67/95/15/576679515.db2.gz KHMYBUFQSYOPDB-HNNXBMFYSA-N 1 2 262.397 1.838 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCc2ncccc21 ZINC000770324726 575438684 /nfs/dbraw/zinc/43/86/84/575438684.db2.gz DTWVCWWMDTUDMM-AWEZNQCLSA-N 1 2 255.321 1.068 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCc2ncccc21 ZINC000770324726 575438687 /nfs/dbraw/zinc/43/86/87/575438687.db2.gz DTWVCWWMDTUDMM-AWEZNQCLSA-N 1 2 255.321 1.068 20 30 CDEDLO C=C(Cl)CNC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000736246165 575603229 /nfs/dbraw/zinc/60/32/29/575603229.db2.gz OFKYRLJWSSAUTN-XQQFMLRXSA-N 1 2 288.819 1.989 20 30 CDEDLO C=C(Cl)CNC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000736246165 575603233 /nfs/dbraw/zinc/60/32/33/575603233.db2.gz OFKYRLJWSSAUTN-XQQFMLRXSA-N 1 2 288.819 1.989 20 30 CDEDLO COc1ccccc1[C@@H](NC(=O)[C@@H](C)C#N)c1[nH+]ccn1C ZINC000736668942 575713112 /nfs/dbraw/zinc/71/31/12/575713112.db2.gz MHWYARURYFOAQY-SMDDNHRTSA-N 1 2 298.346 1.794 20 30 CDEDLO C[N@@H+](CCC#N)CCOc1ccccc1-c1nn[nH]n1 ZINC000736789608 575745835 /nfs/dbraw/zinc/74/58/35/575745835.db2.gz AGAVMPWQKZLSAO-UHFFFAOYSA-N 1 2 272.312 1.091 20 30 CDEDLO C[N@H+](CCC#N)CCOc1ccccc1-c1nn[nH]n1 ZINC000736789608 575745838 /nfs/dbraw/zinc/74/58/38/575745838.db2.gz AGAVMPWQKZLSAO-UHFFFAOYSA-N 1 2 272.312 1.091 20 30 CDEDLO C=CCOCC(=O)OCc1[nH+]cc(C)c(OC)c1C ZINC000736818290 575758237 /nfs/dbraw/zinc/75/82/37/575758237.db2.gz XNIZGDAXXFJUJF-UHFFFAOYSA-N 1 2 265.309 1.953 20 30 CDEDLO Cn1c[nH+]cc1CON=Cc1cnn(-c2ccccc2)n1 ZINC000764566957 575921259 /nfs/dbraw/zinc/92/12/59/575921259.db2.gz XVMGSFOQXLVPAS-UHFFFAOYSA-N 1 2 282.307 1.552 20 30 CDEDLO CC1(O)CC[NH+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766630860 576117025 /nfs/dbraw/zinc/11/70/25/576117025.db2.gz BEMKCNBJFXLPKR-UHFFFAOYSA-N 1 2 287.363 1.013 20 30 CDEDLO N#CC1(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCC1 ZINC000767546048 576202952 /nfs/dbraw/zinc/20/29/52/576202952.db2.gz FTZPGDRKVMEGES-TXEJJXNPSA-N 1 2 264.325 1.087 20 30 CDEDLO N#CC1(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCC1 ZINC000767546048 576202954 /nfs/dbraw/zinc/20/29/54/576202954.db2.gz FTZPGDRKVMEGES-TXEJJXNPSA-N 1 2 264.325 1.087 20 30 CDEDLO CC1CC(C#N)(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000767577245 576206120 /nfs/dbraw/zinc/20/61/20/576206120.db2.gz KQKALDSZXKBOTI-WZSRBFQBSA-N 1 2 278.352 1.333 20 30 CDEDLO CC1CC(C#N)(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000767577245 576206122 /nfs/dbraw/zinc/20/61/22/576206122.db2.gz KQKALDSZXKBOTI-WZSRBFQBSA-N 1 2 278.352 1.333 20 30 CDEDLO Fc1cnc(N=NCc2cccc3[nH+]ccn32)nc1 ZINC000760253439 576470386 /nfs/dbraw/zinc/47/03/86/576470386.db2.gz DANHVFOJMKALRI-UHFFFAOYSA-N 1 2 256.244 1.709 20 30 CDEDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000741246620 576546070 /nfs/dbraw/zinc/54/60/70/576546070.db2.gz KRNLXJYDYCWGPB-CQSZACIVSA-N 1 2 274.320 1.322 20 30 CDEDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000741246620 576546071 /nfs/dbraw/zinc/54/60/71/576546071.db2.gz KRNLXJYDYCWGPB-CQSZACIVSA-N 1 2 274.320 1.322 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2cccc([C@@H]3CCOC3)c2)CC1 ZINC000761743356 576591075 /nfs/dbraw/zinc/59/10/75/576591075.db2.gz SCTJZBKUKYHLIS-QGZVFWFLSA-N 1 2 298.386 1.582 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N(C)[C@@H](C)CC(C)C ZINC000744410498 576679514 /nfs/dbraw/zinc/67/95/14/576679514.db2.gz 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/nfs/dbraw/zinc/94/59/73/576945973.db2.gz HELIXEVBAUXMSK-PFONDFGASA-N 1 2 293.411 1.807 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C=C1CCCC1 ZINC000749385477 576946103 /nfs/dbraw/zinc/94/61/03/576946103.db2.gz WFAWIKOWZAHTJI-UHFFFAOYSA-N 1 2 291.395 1.561 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2c(C)cccc2CC)CC1 ZINC000749990454 576971252 /nfs/dbraw/zinc/97/12/52/576971252.db2.gz OFDOKYATDPTTQM-UHFFFAOYSA-N 1 2 299.418 1.747 20 30 CDEDLO C#CCNC(=S)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000758172905 577077108 /nfs/dbraw/zinc/07/71/08/577077108.db2.gz QJAQVDZRLKRNJY-TWGQIWQCSA-N 1 2 299.443 1.825 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CCC[C@H]2COC)c1=S ZINC000751950111 577077977 /nfs/dbraw/zinc/07/79/77/577077977.db2.gz OUXVAJBBZQWFAM-JTQLQIEISA-N 1 2 269.374 1.063 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CCC[C@H]2COC)c1=S ZINC000751950111 577077979 /nfs/dbraw/zinc/07/79/79/577077979.db2.gz OUXVAJBBZQWFAM-JTQLQIEISA-N 1 2 269.374 1.063 20 30 CDEDLO C[N@H+](CCOc1ccccc1)Cn1cccc(C#N)c1=O ZINC000758182835 577078300 /nfs/dbraw/zinc/07/83/00/577078300.db2.gz UHYLMCDWFNTCNB-UHFFFAOYSA-N 1 2 283.331 1.688 20 30 CDEDLO C[N@@H+](CCOc1ccccc1)Cn1cccc(C#N)c1=O ZINC000758182835 577078302 /nfs/dbraw/zinc/07/83/02/577078302.db2.gz UHYLMCDWFNTCNB-UHFFFAOYSA-N 1 2 283.331 1.688 20 30 CDEDLO C#CCNC(=S)NCc1ccccc1Cn1cc[nH+]c1 ZINC000758190219 577078935 /nfs/dbraw/zinc/07/89/35/577078935.db2.gz FXXONGFUNGRAOC-UHFFFAOYSA-N 1 2 284.388 1.529 20 30 CDEDLO N#Cc1cccn(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)c1=O ZINC000758223631 577085567 /nfs/dbraw/zinc/08/55/67/577085567.db2.gz OICSPQOTVOQARR-CQSZACIVSA-N 1 2 283.335 1.211 20 30 CDEDLO N#Cc1cccn(C[N@H+]2CCC[C@@H](n3ccnc3)C2)c1=O ZINC000758223631 577085570 /nfs/dbraw/zinc/08/55/70/577085570.db2.gz OICSPQOTVOQARR-CQSZACIVSA-N 1 2 283.335 1.211 20 30 CDEDLO Cc1cc(=O)[nH]c(N[NH+]=Cc2ccc(N3CCCC3)nc2)n1 ZINC000758355017 577101036 /nfs/dbraw/zinc/10/10/36/577101036.db2.gz QLXXCSNRMBQRMR-UHFFFAOYSA-N 1 2 298.350 1.932 20 30 CDEDLO N#Cc1ccc(C(=O)OCc2cccc3[nH+]ccn32)[nH]1 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UPIHUAWREBERDK-NSHDSACASA-N 1 2 277.393 1.525 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2scnc2C)C(C)(C)C1 ZINC000972831419 613301942 /nfs/dbraw/zinc/30/19/42/613301942.db2.gz UPIHUAWREBERDK-NSHDSACASA-N 1 2 277.393 1.525 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)C(C)(C)c2cnn(C)c2)CC1 ZINC000956983677 613315630 /nfs/dbraw/zinc/31/56/30/613315630.db2.gz UGFBKPRFVMGCKR-UHFFFAOYSA-N 1 2 290.411 1.418 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccnc(N(C)C)c2)CC1 ZINC000951119736 613321214 /nfs/dbraw/zinc/32/12/14/613321214.db2.gz FJVPFBGVWVCCSV-UHFFFAOYSA-N 1 2 288.395 1.482 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cn(C)nc2Cl)CC1 ZINC000957291670 613321563 /nfs/dbraw/zinc/32/15/63/613321563.db2.gz SJGJDNSNVKJFKS-UHFFFAOYSA-N 1 2 282.775 1.407 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnn(C)c2CCC)CC1 ZINC000949081140 613321633 /nfs/dbraw/zinc/32/16/33/613321633.db2.gz KEKRUBKTSIHQPU-UHFFFAOYSA-N 1 2 290.411 1.707 20 30 CDEDLO C=C(C)C[N@H+]1C[C@H](NC(=O)C2=NC(=O)N(C)C2)C(C)(C)C1 ZINC000974985132 613342465 /nfs/dbraw/zinc/34/24/65/613342465.db2.gz DUGRDJDJMYDLRS-LBPRGKRZSA-N 1 2 292.383 1.142 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@H](NC(=O)C2=NC(=O)N(C)C2)C(C)(C)C1 ZINC000974985132 613342466 /nfs/dbraw/zinc/34/24/66/613342466.db2.gz DUGRDJDJMYDLRS-LBPRGKRZSA-N 1 2 292.383 1.142 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cc2cncs2)CC1 ZINC000981396688 613373483 /nfs/dbraw/zinc/37/34/83/613373483.db2.gz VIFOXJWSBARCFJ-UHFFFAOYSA-N 1 2 299.827 1.972 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cc2cncs2)CC1 ZINC000981396688 613373484 /nfs/dbraw/zinc/37/34/84/613373484.db2.gz VIFOXJWSBARCFJ-UHFFFAOYSA-N 1 2 299.827 1.972 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccnnc2)C(C)(C)C1 ZINC000975100458 613379865 /nfs/dbraw/zinc/37/98/65/613379865.db2.gz WXCQVJWBWXAZCK-GFCCVEGCSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccnnc2)C(C)(C)C1 ZINC000975100458 613379866 /nfs/dbraw/zinc/37/98/66/613379866.db2.gz WXCQVJWBWXAZCK-GFCCVEGCSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000981887721 613473052 /nfs/dbraw/zinc/47/30/52/613473052.db2.gz NQTBOFCZKCQEPX-BBRMVZONSA-N 1 2 293.411 1.012 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000981887721 613473053 /nfs/dbraw/zinc/47/30/53/613473053.db2.gz NQTBOFCZKCQEPX-BBRMVZONSA-N 1 2 293.411 1.012 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)NCC#C[C@@H]1CCCCO1 ZINC000891123995 617367919 /nfs/dbraw/zinc/36/79/19/617367919.db2.gz ZOBXSTMDAAJZEZ-AWEZNQCLSA-N 1 2 275.352 1.041 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2C[C@]2(C)C(C)C)CC1 ZINC000956978904 613713499 /nfs/dbraw/zinc/71/34/99/613713499.db2.gz GHPNUNFJLKZSPH-UKRRQHHQSA-N 1 2 250.386 1.999 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc(N(C)C)c2)CC1 ZINC000957453204 613716734 /nfs/dbraw/zinc/71/67/34/613716734.db2.gz OCMXWXDGKLEVSR-UHFFFAOYSA-N 1 2 273.380 1.696 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC3(F)F)C2)C1 ZINC000972373450 613723596 /nfs/dbraw/zinc/72/35/96/613723596.db2.gz KVLFGMFLSQJMRX-AAEUAGOBSA-N 1 2 286.322 1.131 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC3(F)F)C2)C1 ZINC000972373450 613723597 /nfs/dbraw/zinc/72/35/97/613723597.db2.gz KVLFGMFLSQJMRX-AAEUAGOBSA-N 1 2 286.322 1.131 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccsc3)C2)C1 ZINC000972241146 613724212 /nfs/dbraw/zinc/72/42/12/613724212.db2.gz CWFLFJGZQQCGAV-HNNXBMFYSA-N 1 2 292.404 1.851 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccsc3)C2)C1 ZINC000972241146 613724214 /nfs/dbraw/zinc/72/42/14/613724214.db2.gz CWFLFJGZQQCGAV-HNNXBMFYSA-N 1 2 292.404 1.851 20 30 CDEDLO COCC[NH+]1CCN(c2cc(C#N)sc2[N+](=O)[O-])CC1 ZINC000891624448 617510896 /nfs/dbraw/zinc/51/08/96/617510896.db2.gz BIRRIAGDOHYJHF-UHFFFAOYSA-N 1 2 296.352 1.296 20 30 CDEDLO C#CCN(C(=O)N[C@@H](CC)C[NH+]1CCOCC1)C(C)C ZINC000925610141 617554162 /nfs/dbraw/zinc/55/41/62/617554162.db2.gz CPACONUDIDOMMM-AWEZNQCLSA-N 1 2 281.400 1.150 20 30 CDEDLO N#CCC[NH2+]Cc1ncc(Br)cc1O ZINC000894081996 618341175 /nfs/dbraw/zinc/34/11/75/618341175.db2.gz MTGJHFZLNQRDQT-UHFFFAOYSA-N 1 2 256.103 1.553 20 30 CDEDLO N#C[C@@H]1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1 ZINC000928214169 618562261 /nfs/dbraw/zinc/56/22/61/618562261.db2.gz HXXVUOFHUAJYJM-LBPRGKRZSA-N 1 2 296.330 1.954 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CSc2cc(C#N)sc2[N+](=O)[O-])C1 ZINC000894339776 618796460 /nfs/dbraw/zinc/79/64/60/618796460.db2.gz AQPNNDNPMYSXNM-MRVPVSSYSA-N 1 2 299.377 1.951 20 30 CDEDLO C[N@H+]1CCO[C@@H](CSc2cc(C#N)sc2[N+](=O)[O-])C1 ZINC000894339776 618796465 /nfs/dbraw/zinc/79/64/65/618796465.db2.gz AQPNNDNPMYSXNM-MRVPVSSYSA-N 1 2 299.377 1.951 20 30 CDEDLO C=C(C)[C@H](CC(=O)OCCc1c[nH+]cn1C)OCC ZINC000793239402 619257576 /nfs/dbraw/zinc/25/75/76/619257576.db2.gz APTWMBLVODOECY-ZDUSSCGKSA-N 1 2 266.341 1.877 20 30 CDEDLO C=CCN[NH+]=Cc1c(Cl)nc(N)nc1N1CCCC1 ZINC000794997931 619527018 /nfs/dbraw/zinc/52/70/18/619527018.db2.gz DAEJGBNXLHMJDR-UHFFFAOYSA-N 1 2 280.763 1.422 20 30 CDEDLO CCn1c[nH+]c2c1CCN(c1cccnc1C#N)C2 ZINC000896653605 620184000 /nfs/dbraw/zinc/18/40/00/620184000.db2.gz FCFGJBYHJJIWID-UHFFFAOYSA-N 1 2 253.309 1.732 20 30 CDEDLO C#Cc1ccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)cn1 ZINC000728862079 620536915 /nfs/dbraw/zinc/53/69/15/620536915.db2.gz VXFBZKNKSXSKLX-UHFFFAOYSA-N 1 2 294.358 1.568 20 30 CDEDLO C[NH+](C)Cc1cnc(/C=C2\Cn3ccnc3C2=O)s1 ZINC000901513260 624328664 /nfs/dbraw/zinc/32/86/64/624328664.db2.gz RVXKSXCKZGFQTF-WEVVVXLNSA-N 1 2 274.349 1.681 20 30 CDEDLO C[C@@H]1/C(=C\c2ncc(C[NH+](C)C)s2)C(=O)c2ncnn21 ZINC000905087254 626603293 /nfs/dbraw/zinc/60/32/93/626603293.db2.gz WTLNEFFSUWLVHZ-OPWUTIMJSA-N 1 2 289.364 1.637 20 30 CDEDLO C#CC[N@H+](CN1C(=O)CC2(CCCCC2)C1=O)C(C)C ZINC000905743402 626957094 /nfs/dbraw/zinc/95/70/94/626957094.db2.gz PRSYTTCLUCKIEE-UHFFFAOYSA-N 1 2 276.380 1.997 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)CC2(CCCCC2)C1=O)C(C)C ZINC000905743402 626957096 /nfs/dbraw/zinc/95/70/96/626957096.db2.gz PRSYTTCLUCKIEE-UHFFFAOYSA-N 1 2 276.380 1.997 20 30 CDEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)C3CC3)CC2)cc1 ZINC000915226790 631678214 /nfs/dbraw/zinc/67/82/14/631678214.db2.gz DKIFTUBUBUKUIS-UHFFFAOYSA-N 1 2 299.374 1.643 20 30 CDEDLO COCC[N@H+](CCC#N)Cc1ccccc1CC(=O)OC ZINC000154971846 632580242 /nfs/dbraw/zinc/58/02/42/632580242.db2.gz WMINWSVHDYDAJT-UHFFFAOYSA-N 1 2 290.363 1.764 20 30 CDEDLO COCC[N@@H+](CCC#N)Cc1ccccc1CC(=O)OC ZINC000154971846 632580249 /nfs/dbraw/zinc/58/02/49/632580249.db2.gz WMINWSVHDYDAJT-UHFFFAOYSA-N 1 2 290.363 1.764 20 30 CDEDLO N#CCCNC(=O)C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000792933497 1162379691 /nfs/dbraw/zinc/37/96/91/1162379691.db2.gz LGAARHXLXGMQJO-UHFFFAOYSA-N 1 2 277.290 1.681 20 30 CDEDLO C#CCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)OC)cc1 ZINC000793323956 1162412998 /nfs/dbraw/zinc/41/29/98/1162412998.db2.gz GSRRAVKWUFCORL-GFCCVEGCSA-N 1 2 261.321 1.692 20 30 CDEDLO C#CCOc1ccc(C[N@H+](C)[C@H](C)C(=O)OC)cc1 ZINC000793323956 1162413000 /nfs/dbraw/zinc/41/30/00/1162413000.db2.gz GSRRAVKWUFCORL-GFCCVEGCSA-N 1 2 261.321 1.692 20 30 CDEDLO C#CCCCS[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000808363530 1162843323 /nfs/dbraw/zinc/84/33/23/1162843323.db2.gz KBQOPAVOLPCMHZ-ZDUSSCGKSA-N 1 2 268.426 1.686 20 30 CDEDLO CON=CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000809549045 1163043728 /nfs/dbraw/zinc/04/37/28/1163043728.db2.gz LWTSTPRWLMSPQA-UHFFFAOYSA-N 1 2 267.354 1.025 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1conc1C(C)C ZINC001038337689 1159559686 /nfs/dbraw/zinc/55/96/86/1159559686.db2.gz HQQHWEIFNKUCKV-LBPRGKRZSA-N 1 2 275.352 1.625 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1conc1C(C)C ZINC001038337689 1159559690 /nfs/dbraw/zinc/55/96/90/1159559690.db2.gz HQQHWEIFNKUCKV-LBPRGKRZSA-N 1 2 275.352 1.625 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)COCC)CC[C@@H]1C ZINC001131797619 1163055249 /nfs/dbraw/zinc/05/52/49/1163055249.db2.gz LXSPWYAKZKATLZ-RYUDHWBXSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)COCC)CC[C@@H]1C ZINC001131797619 1163055256 /nfs/dbraw/zinc/05/52/56/1163055256.db2.gz LXSPWYAKZKATLZ-RYUDHWBXSA-N 1 2 274.792 1.745 20 30 CDEDLO Cc1nc(N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)cc[nH+]1 ZINC001058855526 1159780742 /nfs/dbraw/zinc/78/07/42/1159780742.db2.gz AYWFMBPJHAVTOW-LBPRGKRZSA-N 1 2 296.334 1.311 20 30 CDEDLO C=CCN1CC[C@@H](O[NH+]=C(N)c2ccc(F)cc2)C1=O ZINC000809994155 1163138188 /nfs/dbraw/zinc/13/81/88/1163138188.db2.gz ZRTNGZQZZLYPPR-GFCCVEGCSA-N 1 2 277.299 1.250 20 30 CDEDLO C=CCN1CC[C@@H](O[NH+]=C(N)Cc2ccccc2C)C1=O ZINC000809997302 1163138405 /nfs/dbraw/zinc/13/84/05/1163138405.db2.gz ZJSKKNKNFHOBIC-CQSZACIVSA-N 1 2 287.363 1.823 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2ccc3c(c2)CCCO3)C1 ZINC001030484361 1161017848 /nfs/dbraw/zinc/01/78/48/1161017848.db2.gz LBSMUUNGUKEDNZ-UHFFFAOYSA-N 1 2 286.375 1.541 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cnco2)c1 ZINC001038563143 1161022587 /nfs/dbraw/zinc/02/25/87/1161022587.db2.gz KAGKACZOMQERFX-CQSZACIVSA-N 1 2 296.330 1.551 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cnco2)c1 ZINC001038563143 1161022594 /nfs/dbraw/zinc/02/25/94/1161022594.db2.gz KAGKACZOMQERFX-CQSZACIVSA-N 1 2 296.330 1.551 20 30 CDEDLO N#CCNCCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001170023030 1162038686 /nfs/dbraw/zinc/03/86/86/1162038686.db2.gz NZQMMZDBCBEWII-UHFFFAOYSA-N 1 2 283.335 1.105 20 30 CDEDLO Cc1nn(C)c2ncc(C=NNc3[nH+]ccn3C)cc12 ZINC000790305830 1162143474 /nfs/dbraw/zinc/14/34/74/1162143474.db2.gz OTMGVHZXZRMUSB-UHFFFAOYSA-N 1 2 269.312 1.456 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](C)OCCOCC)CC1 ZINC001113673334 1162253759 /nfs/dbraw/zinc/25/37/59/1162253759.db2.gz MWTUSZKCVVEXPF-AWEZNQCLSA-N 1 2 284.400 1.148 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC001170164226 1162269201 /nfs/dbraw/zinc/26/92/01/1162269201.db2.gz FDPDUWAEMPHVRE-VWYCJHECSA-N 1 2 261.387 1.395 20 30 CDEDLO C=CC[N@@H+](C)CN1C(=O)C2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811769170 1163529166 /nfs/dbraw/zinc/52/91/66/1163529166.db2.gz RQMZTDNVOVMJOG-STQMWFEESA-N 1 2 264.369 1.622 20 30 CDEDLO C=CC[N@H+](C)CN1C(=O)C2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811769170 1163529172 /nfs/dbraw/zinc/52/91/72/1163529172.db2.gz RQMZTDNVOVMJOG-STQMWFEESA-N 1 2 264.369 1.622 20 30 CDEDLO Cc1cc(-c2nn[nH]n2)ccc1C[N@@H+](C)[C@H](C)CC#N ZINC001609388559 1164922160 /nfs/dbraw/zinc/92/21/60/1164922160.db2.gz ZMFLLEUZTSPAIL-LLVKDONJSA-N 1 2 270.340 1.909 20 30 CDEDLO Cc1cc(-c2nn[nH]n2)ccc1C[N@H+](C)[C@H](C)CC#N ZINC001609388559 1164922167 /nfs/dbraw/zinc/92/21/67/1164922167.db2.gz ZMFLLEUZTSPAIL-LLVKDONJSA-N 1 2 270.340 1.909 20 30 CDEDLO Cc1cc([N-][NH+]=Cc2ccc(N3CCCC3)nc2)nc(N)[nH+]1 ZINC000872420927 1165429331 /nfs/dbraw/zinc/42/93/31/1165429331.db2.gz ROXOWELMLUVPCK-UHFFFAOYSA-N 1 2 297.366 1.808 20 30 CDEDLO CC(C)C#CC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874889789 1165689578 /nfs/dbraw/zinc/68/95/78/1165689578.db2.gz MWMVGOYYJRITBU-OAHLLOKOSA-N 1 2 274.339 1.958 20 30 CDEDLO N#Cc1ccc2nc(C[N@@H+]3CCCOCC3)cn2c1 ZINC001237609281 1167396638 /nfs/dbraw/zinc/39/66/38/1167396638.db2.gz PINCKKMHPIPITP-UHFFFAOYSA-N 1 2 256.309 1.428 20 30 CDEDLO N#Cc1ccc2nc(C[N@H+]3CCCOCC3)cn2c1 ZINC001237609281 1167396643 /nfs/dbraw/zinc/39/66/43/1167396643.db2.gz PINCKKMHPIPITP-UHFFFAOYSA-N 1 2 256.309 1.428 20 30 CDEDLO N#Cc1ccc([C@@H](O)C[NH2+]Cc2nnc(C3CC3)o2)cc1 ZINC001650158569 1169763971 /nfs/dbraw/zinc/76/39/71/1169763971.db2.gz NCIKMZVIWNFHFH-ZDUSSCGKSA-N 1 2 284.319 1.642 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3cn[nH]n3)cc2)C1 ZINC001575104952 1171113812 /nfs/dbraw/zinc/11/38/12/1171113812.db2.gz YBVUNZDPZIHJCN-AWEZNQCLSA-N 1 2 297.362 1.462 20 30 CDEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(-c3cn[nH]n3)cc2)C1 ZINC001575104952 1171113815 /nfs/dbraw/zinc/11/38/15/1171113815.db2.gz YBVUNZDPZIHJCN-AWEZNQCLSA-N 1 2 297.362 1.462 20 30 CDEDLO N#Cc1cc(NC(=O)NCc2ccn3cc[nH+]c3c2)ccn1 ZINC001673535741 1173867346 /nfs/dbraw/zinc/86/73/46/1173867346.db2.gz GRMYNHWWQXVWJQ-UHFFFAOYSA-N 1 2 292.302 1.923 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)CC[N@H+](C)Cc1ccns1 ZINC001732575679 1183012153 /nfs/dbraw/zinc/01/21/53/1183012153.db2.gz HZZFVBCVAPCHQH-SNVBAGLBSA-N 1 2 266.370 1.193 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)CC[N@@H+](C)Cc1ccns1 ZINC001732575679 1183012155 /nfs/dbraw/zinc/01/21/55/1183012155.db2.gz HZZFVBCVAPCHQH-SNVBAGLBSA-N 1 2 266.370 1.193 20 30 CDEDLO CCC(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001753396615 1185185656 /nfs/dbraw/zinc/18/56/56/1185185656.db2.gz YOWIPUBYLCJWES-UHFFFAOYSA-N 1 2 274.339 1.635 20 30 CDEDLO C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccns1 ZINC001753421234 1185198042 /nfs/dbraw/zinc/19/80/42/1185198042.db2.gz AYOQPHQHBTXZSF-RYUDHWBXSA-N 1 2 293.392 1.244 20 30 CDEDLO C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccns1 ZINC001753421234 1185198048 /nfs/dbraw/zinc/19/80/48/1185198048.db2.gz AYOQPHQHBTXZSF-RYUDHWBXSA-N 1 2 293.392 1.244 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 ZINC001753434932 1185206803 /nfs/dbraw/zinc/20/68/03/1185206803.db2.gz ZJEUVFFRJLGVDS-GXSJLCMTSA-N 1 2 255.749 1.431 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 ZINC001753434932 1185206806 /nfs/dbraw/zinc/20/68/06/1185206806.db2.gz ZJEUVFFRJLGVDS-GXSJLCMTSA-N 1 2 255.749 1.431 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2cscn2)C1 ZINC001753654589 1185289324 /nfs/dbraw/zinc/28/93/24/1185289324.db2.gz ZKOJARRNOAXQIW-ZDUSSCGKSA-N 1 2 295.408 1.079 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)Cc2cscn2)C1 ZINC001753654589 1185289330 /nfs/dbraw/zinc/28/93/30/1185289330.db2.gz ZKOJARRNOAXQIW-ZDUSSCGKSA-N 1 2 295.408 1.079 20 30 CDEDLO C=CCCC(=O)N[C@@H](C)C[NH2+]Cc1nc(CC)no1 ZINC001754260970 1185535942 /nfs/dbraw/zinc/53/59/42/1185535942.db2.gz PXFTZQHMVILPSA-JTQLQIEISA-N 1 2 266.345 1.193 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC1([NH2+]Cc2nnc(C)[nH]2)CC1 ZINC001754522684 1185657281 /nfs/dbraw/zinc/65/72/81/1185657281.db2.gz VAJCAFKOIVLLGH-LBPRGKRZSA-N 1 2 291.399 1.454 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C1(C)CC(=C)C1 ZINC001754971671 1185773959 /nfs/dbraw/zinc/77/39/59/1185773959.db2.gz SDBQYRAMDFGVLS-AWEZNQCLSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C1(C)CC(=C)C1 ZINC001754971671 1185773963 /nfs/dbraw/zinc/77/39/63/1185773963.db2.gz SDBQYRAMDFGVLS-AWEZNQCLSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1cnnn1CC ZINC001755311383 1185909769 /nfs/dbraw/zinc/90/97/69/1185909769.db2.gz NIEARTFPFPHMAR-GFCCVEGCSA-N 1 2 293.415 1.447 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[N@H+](C)Cc1cnnn1CC ZINC001755311383 1185909772 /nfs/dbraw/zinc/90/97/72/1185909772.db2.gz NIEARTFPFPHMAR-GFCCVEGCSA-N 1 2 293.415 1.447 20 30 CDEDLO C=CCCC[NH+]1CC(CCO)(NC(=O)C(=O)C(C)(C)C)C1 ZINC001755331978 1185920947 /nfs/dbraw/zinc/92/09/47/1185920947.db2.gz MZVFAHOXTNDXPW-UHFFFAOYSA-N 1 2 296.411 1.121 20 30 CDEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)C(C)(C)CCC)C1 ZINC001755335032 1185922851 /nfs/dbraw/zinc/92/28/51/1185922851.db2.gz SNDUZOSJKVQRSI-UHFFFAOYSA-N 1 2 282.428 1.942 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NC[C@H](CO)[NH2+]Cc1cscn1 ZINC001755635105 1186019166 /nfs/dbraw/zinc/01/91/66/1186019166.db2.gz SSGRQYOLDQEXGY-LLVKDONJSA-N 1 2 297.424 1.312 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)C[C@@H]2CCOC2)CC1 ZINC001755884486 1186099710 /nfs/dbraw/zinc/09/97/10/1186099710.db2.gz VPRRGLDHVLMWEM-AWEZNQCLSA-N 1 2 298.814 1.914 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)C[C@@H]2CCOC2)CC1 ZINC001755884486 1186099716 /nfs/dbraw/zinc/09/97/16/1186099716.db2.gz VPRRGLDHVLMWEM-AWEZNQCLSA-N 1 2 298.814 1.914 20 30 CDEDLO C=CC[NH+]1CCN(c2nc(Cl)ncc2C(=O)OC)CC1 ZINC001165033589 721863531 /nfs/dbraw/zinc/86/35/31/721863531.db2.gz REVNYRKYKNCKPB-UHFFFAOYSA-N 1 2 296.758 1.225 20 30 CDEDLO Cc1nc([C@H]2CC[N@H+](Cc3cc(C#N)ccn3)C2)n[nH]1 ZINC001307848365 1166660977 /nfs/dbraw/zinc/66/09/77/1166660977.db2.gz DZDBACGQILHMAO-LBPRGKRZSA-N 1 2 268.324 1.369 20 30 CDEDLO Cc1nc([C@H]2CC[N@@H+](Cc3cc(C#N)ccn3)C2)n[nH]1 ZINC001307848365 1166660980 /nfs/dbraw/zinc/66/09/80/1166660980.db2.gz DZDBACGQILHMAO-LBPRGKRZSA-N 1 2 268.324 1.369 20 30 CDEDLO C=CCCC(=O)NCCC[NH2+][C@H](C)c1noc(C)n1 ZINC001155586783 1167244170 /nfs/dbraw/zinc/24/41/70/1167244170.db2.gz KINVCLPRINXJSC-SNVBAGLBSA-N 1 2 266.345 1.501 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nc(C)c[nH]2)[C@H]1C ZINC001088910994 912261323 /nfs/dbraw/zinc/26/13/23/912261323.db2.gz UEYRZRSATVKFPA-MNOVXSKESA-N 1 2 282.775 1.663 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nc(C)c[nH]2)[C@H]1C ZINC001088910994 912261337 /nfs/dbraw/zinc/26/13/37/912261337.db2.gz UEYRZRSATVKFPA-MNOVXSKESA-N 1 2 282.775 1.663 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCO1)C2 ZINC001095148964 912527787 /nfs/dbraw/zinc/52/77/87/912527787.db2.gz NLIPEUSOBREERC-MROQNXINSA-N 1 2 284.787 1.639 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCO1)C2 ZINC001095148964 912527793 /nfs/dbraw/zinc/52/77/93/912527793.db2.gz NLIPEUSOBREERC-MROQNXINSA-N 1 2 284.787 1.639 20 30 CDEDLO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C2(C#N)CCOCC2)C1 ZINC001173634403 912677548 /nfs/dbraw/zinc/67/75/48/912677548.db2.gz PUPGEMJZYOYVLL-CHWSQXEVSA-N 1 2 280.368 1.771 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(OC)c2C)C1 ZINC001031015416 913398563 /nfs/dbraw/zinc/39/85/63/913398563.db2.gz WAUNKLLNCFHNGK-UHFFFAOYSA-N 1 2 272.348 1.441 20 30 CDEDLO C#Cc1cc(Nc2ccc(C(=O)NCC)cc2)cc[nH+]1 ZINC001175628779 913698751 /nfs/dbraw/zinc/69/87/51/913698751.db2.gz FWEUQXFDQPMRQT-UHFFFAOYSA-N 1 2 265.316 1.978 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1coc(C)n1 ZINC001266269626 894023446 /nfs/dbraw/zinc/02/34/46/894023446.db2.gz AOHIRSCQUZKRTK-UHFFFAOYSA-N 1 2 257.721 1.397 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1coc(C)n1 ZINC001266269626 894023465 /nfs/dbraw/zinc/02/34/65/894023465.db2.gz AOHIRSCQUZKRTK-UHFFFAOYSA-N 1 2 257.721 1.397 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@]12C[C@H]1CCC2 ZINC001266298432 894252393 /nfs/dbraw/zinc/25/23/93/894252393.db2.gz JBCYIGXQTZFMRT-DGCLKSJQSA-N 1 2 256.777 1.977 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@]12C[C@H]1CCC2 ZINC001266298432 894252406 /nfs/dbraw/zinc/25/24/06/894252406.db2.gz JBCYIGXQTZFMRT-DGCLKSJQSA-N 1 2 256.777 1.977 20 30 CDEDLO C=CCN(CC[N@@H+]1CCOC[C@H]1C)C(=O)OCC ZINC001209017782 894416898 /nfs/dbraw/zinc/41/68/98/894416898.db2.gz XFRBZJIAHUHPFV-GFCCVEGCSA-N 1 2 256.346 1.352 20 30 CDEDLO C=CCN(CC[N@H+]1CCOC[C@H]1C)C(=O)OCC ZINC001209017782 894416903 /nfs/dbraw/zinc/41/69/03/894416903.db2.gz XFRBZJIAHUHPFV-GFCCVEGCSA-N 1 2 256.346 1.352 20 30 CDEDLO N#Cc1ccc(N2CCC[N@H+](Cc3ncccn3)CC2)nc1 ZINC001207015279 895262288 /nfs/dbraw/zinc/26/22/88/895262288.db2.gz KCEDWXXMJOTPRL-UHFFFAOYSA-N 1 2 294.362 1.456 20 30 CDEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3ncccn3)CC2)nc1 ZINC001207015279 895262299 /nfs/dbraw/zinc/26/22/99/895262299.db2.gz KCEDWXXMJOTPRL-UHFFFAOYSA-N 1 2 294.362 1.456 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCc1ccc(=O)[nH]c1 ZINC001480902697 896361135 /nfs/dbraw/zinc/36/11/35/896361135.db2.gz IMQXZURCOODXDD-UHFFFAOYSA-N 1 2 297.786 1.520 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCc1ccc(=O)[nH]c1 ZINC001480902697 896361143 /nfs/dbraw/zinc/36/11/43/896361143.db2.gz IMQXZURCOODXDD-UHFFFAOYSA-N 1 2 297.786 1.520 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C)cc3C)[C@H]2C1 ZINC001083263579 897774041 /nfs/dbraw/zinc/77/40/41/897774041.db2.gz DZKPPPUTSQRLRW-DLBZAZTESA-N 1 2 298.386 1.462 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C)cc3C)[C@H]2C1 ZINC001083263579 897774049 /nfs/dbraw/zinc/77/40/49/897774049.db2.gz DZKPPPUTSQRLRW-DLBZAZTESA-N 1 2 298.386 1.462 20 30 CDEDLO C=C(C)CNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176971787 914408792 /nfs/dbraw/zinc/40/87/92/914408792.db2.gz XYSRBIJWVYNTRP-CYBMUJFWSA-N 1 2 259.353 1.990 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(OC)no2)C1 ZINC001481524239 901059024 /nfs/dbraw/zinc/05/90/24/901059024.db2.gz BYHLDXPMOYGDEV-GFCCVEGCSA-N 1 2 293.367 1.730 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(OC)no2)C1 ZINC001481524239 901059033 /nfs/dbraw/zinc/05/90/33/901059033.db2.gz BYHLDXPMOYGDEV-GFCCVEGCSA-N 1 2 293.367 1.730 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC1C[NH+](Cc2cccc(F)c2F)C1 ZINC001481617754 901473314 /nfs/dbraw/zinc/47/33/14/901473314.db2.gz QOXYXSCGQDYERA-JTQLQIEISA-N 1 2 293.317 1.672 20 30 CDEDLO C#CCCCC(=O)NCC[NH2+]Cc1nnc(C(C)C)o1 ZINC001126335623 901641482 /nfs/dbraw/zinc/64/14/82/901641482.db2.gz ZIZQCKBCCVMNBV-UHFFFAOYSA-N 1 2 278.356 1.202 20 30 CDEDLO C#CCCCC(=O)NCC[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001126357095 902240305 /nfs/dbraw/zinc/24/03/05/902240305.db2.gz VBTCBYDZVQARRD-UHFFFAOYSA-N 1 2 292.383 1.376 20 30 CDEDLO C=CC1CCN(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001123793931 914662560 /nfs/dbraw/zinc/66/25/60/914662560.db2.gz GNJOCSBFEXETMA-ZFWWWQNUSA-N 1 2 294.443 1.228 20 30 CDEDLO C=CC1CCN(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC001123793931 914662567 /nfs/dbraw/zinc/66/25/67/914662567.db2.gz GNJOCSBFEXETMA-ZFWWWQNUSA-N 1 2 294.443 1.228 20 30 CDEDLO C=CC[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2COCCOC ZINC001268968024 903289198 /nfs/dbraw/zinc/28/91/98/903289198.db2.gz IIGIZJOGWDEAHS-KKUMJFAQSA-N 1 2 296.411 1.494 20 30 CDEDLO C=CC[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2COCCOC ZINC001268968024 903289207 /nfs/dbraw/zinc/28/92/07/903289207.db2.gz IIGIZJOGWDEAHS-KKUMJFAQSA-N 1 2 296.411 1.494 20 30 CDEDLO CO[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212248652 914863639 /nfs/dbraw/zinc/86/36/39/914863639.db2.gz KXSRBLUKMRUAQG-UYMHTNOESA-N 1 2 298.814 1.604 20 30 CDEDLO CO[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212248652 914863658 /nfs/dbraw/zinc/86/36/58/914863658.db2.gz KXSRBLUKMRUAQG-UYMHTNOESA-N 1 2 298.814 1.604 20 30 CDEDLO N#CCN[C@@H]1CCCCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001088305797 906856535 /nfs/dbraw/zinc/85/65/35/906856535.db2.gz JCOXJRYPNMWSTN-CYBMUJFWSA-N 1 2 289.383 1.227 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)on2)[C@H]1C ZINC001088457961 907330412 /nfs/dbraw/zinc/33/04/12/907330412.db2.gz CRDHKKNXQANWRP-MNOVXSKESA-N 1 2 283.759 1.928 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)on2)[C@H]1C ZINC001088457961 907330428 /nfs/dbraw/zinc/33/04/28/907330428.db2.gz CRDHKKNXQANWRP-MNOVXSKESA-N 1 2 283.759 1.928 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nnn(C)c2C)[C@H]1C ZINC001088503561 907530859 /nfs/dbraw/zinc/53/08/59/907530859.db2.gz NKSUSIDSADNDPZ-KOLCDFICSA-N 1 2 297.790 1.069 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)c2C)[C@H]1C ZINC001088503561 907530868 /nfs/dbraw/zinc/53/08/68/907530868.db2.gz NKSUSIDSADNDPZ-KOLCDFICSA-N 1 2 297.790 1.069 20 30 CDEDLO C#CCN1CC2(C[NH+](Cc3cc(C)cc(C)c3)C2)OCC1=O ZINC001273006746 921423163 /nfs/dbraw/zinc/42/31/63/921423163.db2.gz VZOVKYJNPASFHB-UHFFFAOYSA-N 1 2 298.386 1.350 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(-n2cccc2)c1 ZINC001038487864 909362351 /nfs/dbraw/zinc/36/23/51/909362351.db2.gz LKZSPXOALHUZHV-KRWDZBQOSA-N 1 2 293.370 1.915 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(-n2cccc2)c1 ZINC001038487864 909362364 /nfs/dbraw/zinc/36/23/64/909362364.db2.gz LKZSPXOALHUZHV-KRWDZBQOSA-N 1 2 293.370 1.915 20 30 CDEDLO C=C1CC(C)(C(=O)NCc2cnn3c2C[N@H+](CC)CC3)C1 ZINC001128488491 921528271 /nfs/dbraw/zinc/52/82/71/921528271.db2.gz BZZYDKOSAVFMFJ-UHFFFAOYSA-N 1 2 288.395 1.691 20 30 CDEDLO C=C1CC(C)(C(=O)NCc2cnn3c2C[N@@H+](CC)CC3)C1 ZINC001128488491 921528275 /nfs/dbraw/zinc/52/82/75/921528275.db2.gz BZZYDKOSAVFMFJ-UHFFFAOYSA-N 1 2 288.395 1.691 20 30 CDEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)C1 ZINC001093502887 909921544 /nfs/dbraw/zinc/92/15/44/909921544.db2.gz NGKPMOVDIPKIPF-CZUORRHYSA-N 1 2 292.423 1.910 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C1(F)CCOCC1 ZINC001483347833 910944449 /nfs/dbraw/zinc/94/44/49/910944449.db2.gz ZBIASXLFONTVTJ-LLVKDONJSA-N 1 2 292.782 1.694 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C1(F)CCOCC1 ZINC001483347833 910944459 /nfs/dbraw/zinc/94/44/59/910944459.db2.gz ZBIASXLFONTVTJ-LLVKDONJSA-N 1 2 292.782 1.694 20 30 CDEDLO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(F)cc1C#N ZINC000698194070 911381014 /nfs/dbraw/zinc/38/10/14/911381014.db2.gz KZGFLXHIPFAGEC-ZIAGYGMSSA-N 1 2 264.300 1.015 20 30 CDEDLO C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1ccc(F)cc1C#N ZINC000698194070 911381025 /nfs/dbraw/zinc/38/10/25/911381025.db2.gz KZGFLXHIPFAGEC-ZIAGYGMSSA-N 1 2 264.300 1.015 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1C1CCC2(CCOCC2)CC1 ZINC001173047184 912137864 /nfs/dbraw/zinc/13/78/64/912137864.db2.gz UELQOJNAYIYUSK-AWEZNQCLSA-N 1 2 263.385 1.523 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C#N)Cc2cccs2)CC1 ZINC001177908523 915013874 /nfs/dbraw/zinc/01/38/74/915013874.db2.gz BWBBGRCWUPZFSO-CYBMUJFWSA-N 1 2 289.404 1.761 20 30 CDEDLO C[C@H](CC(=O)NCCCCCCNCC#N)n1cc[nH+]c1 ZINC001179706275 915945222 /nfs/dbraw/zinc/94/52/22/915945222.db2.gz ZBDOEZRTHLJSMZ-CQSZACIVSA-N 1 2 291.399 1.624 20 30 CDEDLO CC#CC(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001179751335 915968684 /nfs/dbraw/zinc/96/86/84/915968684.db2.gz FHUGDJDJHFKSOC-UHFFFAOYSA-N 1 2 253.305 1.854 20 30 CDEDLO C=CCCC(=O)NCC[NH2+]Cc1nc(C(C)C)ns1 ZINC001124640633 936327445 /nfs/dbraw/zinc/32/74/45/936327445.db2.gz MGLFVUAPXRXVKT-UHFFFAOYSA-N 1 2 282.413 1.834 20 30 CDEDLO C=CCCC(=O)NCC[NH2+]Cc1nnc(OCC)s1 ZINC001124655422 936329025 /nfs/dbraw/zinc/32/90/25/936329025.db2.gz DAGQWWZEKIPDTA-UHFFFAOYSA-N 1 2 284.385 1.109 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)NCCCCCCNCC#N ZINC001180155024 916186562 /nfs/dbraw/zinc/18/65/62/916186562.db2.gz KHLPJDBOQZRWQH-UHFFFAOYSA-N 1 2 277.372 1.050 20 30 CDEDLO CC(C)Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H](C)C#N)o1 ZINC001124903121 936343102 /nfs/dbraw/zinc/34/31/02/936343102.db2.gz OLXTWCKNLBITHA-GHMZBOCLSA-N 1 2 293.371 1.195 20 30 CDEDLO N#CC1(NC(=O)Cc2cc[nH+]c(N)c2)Cc2ccccc2C1 ZINC001181276506 916957685 /nfs/dbraw/zinc/95/76/85/916957685.db2.gz DWJVPLMLMIVIFB-UHFFFAOYSA-N 1 2 292.342 1.384 20 30 CDEDLO Cc1ccc(Nc2nc(C#N)c(C#N)nc2N)c(C)[nH+]1 ZINC001203367796 917301332 /nfs/dbraw/zinc/30/13/32/917301332.db2.gz PDHMNBWLVWLWJY-UHFFFAOYSA-N 1 2 265.280 1.558 20 30 CDEDLO C=CCCC(=O)NCC[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001124635882 917513238 /nfs/dbraw/zinc/51/32/38/917513238.db2.gz BVLYDTDDDOVBKK-UHFFFAOYSA-N 1 2 280.372 1.539 20 30 CDEDLO Cc1c(CN2CCN(CCC#N)CC2)[nH+]c2ccccn12 ZINC001137272176 936435985 /nfs/dbraw/zinc/43/59/85/936435985.db2.gz KSLVBXYVHLJMOE-UHFFFAOYSA-N 1 2 283.379 1.674 20 30 CDEDLO CC(C)c1noc([C@@H](C)[NH2+]CCNC(=O)[C@H](C)C#N)n1 ZINC001124908988 917759675 /nfs/dbraw/zinc/75/96/75/917759675.db2.gz XHAYTVXOBITBDA-NXEZZACHSA-N 1 2 279.344 1.119 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CCCC2)C1 ZINC001107679617 918596664 /nfs/dbraw/zinc/59/66/64/918596664.db2.gz FOXCLCGADVLYCZ-HNNXBMFYSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CCCC2)C1 ZINC001107679617 918596667 /nfs/dbraw/zinc/59/66/67/918596667.db2.gz FOXCLCGADVLYCZ-HNNXBMFYSA-N 1 2 266.385 1.570 20 30 CDEDLO CSc1nn(-c2c[nH+]c(N(C)C)cc2C)c(N)c1C#N ZINC001206723807 936528264 /nfs/dbraw/zinc/52/82/64/936528264.db2.gz SNRANQGJTWVZLH-UHFFFAOYSA-N 1 2 288.380 1.818 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)C2CC2)C1 ZINC001107848535 918874818 /nfs/dbraw/zinc/87/48/18/918874818.db2.gz QEGTXWSIYFZHSB-BBRMVZONSA-N 1 2 278.396 1.263 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)C2CC2)C1 ZINC001107848535 918874830 /nfs/dbraw/zinc/87/48/30/918874830.db2.gz QEGTXWSIYFZHSB-BBRMVZONSA-N 1 2 278.396 1.263 20 30 CDEDLO C#CCCCCC(=O)NC[C@]1(C)C[N@H+](CC#CC)CCO1 ZINC001107880445 918970414 /nfs/dbraw/zinc/97/04/14/918970414.db2.gz KDOBUZXNSHKBMK-QGZVFWFLSA-N 1 2 290.407 1.410 20 30 CDEDLO C#CCCCCC(=O)NC[C@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001107880445 918970421 /nfs/dbraw/zinc/97/04/21/918970421.db2.gz KDOBUZXNSHKBMK-QGZVFWFLSA-N 1 2 290.407 1.410 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CC(C)(C)C2)C1 ZINC001107915055 919040545 /nfs/dbraw/zinc/04/05/45/919040545.db2.gz VHLICTRVYITVMA-INIZCTEOSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CC(C)(C)C2)C1 ZINC001107915055 919040555 /nfs/dbraw/zinc/04/05/55/919040555.db2.gz VHLICTRVYITVMA-INIZCTEOSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CC2(COC)CC2)C1 ZINC001107938367 919087596 /nfs/dbraw/zinc/08/75/96/919087596.db2.gz OJXDAVMKCMJVGM-OAHLLOKOSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CC2(COC)CC2)C1 ZINC001107938367 919087608 /nfs/dbraw/zinc/08/76/08/919087608.db2.gz OJXDAVMKCMJVGM-OAHLLOKOSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CC[C@H](CO)CC2)CC1 ZINC001184751452 919268621 /nfs/dbraw/zinc/26/86/21/919268621.db2.gz CODPTKMWPCAURA-HDJSIYSDSA-N 1 2 266.385 1.115 20 30 CDEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2ncccc2F)C1=O ZINC001272795370 919307176 /nfs/dbraw/zinc/30/71/76/919307176.db2.gz MTWWBKRCGXAYPD-INIZCTEOSA-N 1 2 287.338 1.421 20 30 CDEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2ncccc2F)C1=O ZINC001272795370 919307189 /nfs/dbraw/zinc/30/71/89/919307189.db2.gz MTWWBKRCGXAYPD-INIZCTEOSA-N 1 2 287.338 1.421 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC12CCC2 ZINC001032653758 919684883 /nfs/dbraw/zinc/68/48/83/919684883.db2.gz DPHKSSJNOGMUCH-MELADBBJSA-N 1 2 258.365 1.485 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC12CCC2 ZINC001032653758 919684892 /nfs/dbraw/zinc/68/48/92/919684892.db2.gz DPHKSSJNOGMUCH-MELADBBJSA-N 1 2 258.365 1.485 20 30 CDEDLO O=C1C=C2C[N@@H+](Cc3ccc4nonc4c3)CC[C@H]2S1 ZINC001139220123 936608186 /nfs/dbraw/zinc/60/81/86/936608186.db2.gz DRQMNDKJQHERMC-CYBMUJFWSA-N 1 2 287.344 1.997 20 30 CDEDLO O=C1C=C2C[N@H+](Cc3ccc4nonc4c3)CC[C@H]2S1 ZINC001139220123 936608188 /nfs/dbraw/zinc/60/81/88/936608188.db2.gz DRQMNDKJQHERMC-CYBMUJFWSA-N 1 2 287.344 1.997 20 30 CDEDLO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)cn1 ZINC001139455040 936622446 /nfs/dbraw/zinc/62/24/46/936622446.db2.gz NVPXDNXEQFMVHM-ZDUSSCGKSA-N 1 2 289.404 1.922 20 30 CDEDLO CN(C)c1ccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cn1 ZINC001139455040 936622447 /nfs/dbraw/zinc/62/24/47/936622447.db2.gz NVPXDNXEQFMVHM-ZDUSSCGKSA-N 1 2 289.404 1.922 20 30 CDEDLO Cc1cc(NC(=O)NCc2ccc(N)[nH+]c2)ncc1C#N ZINC001413603274 936630596 /nfs/dbraw/zinc/63/05/96/936630596.db2.gz ASNBOQRSPYGOMK-UHFFFAOYSA-N 1 2 282.307 1.561 20 30 CDEDLO CN1CCC2(C[NH+](Cc3cc(C#N)ccc3F)C2)C1=O ZINC001139650474 936634203 /nfs/dbraw/zinc/63/42/03/936634203.db2.gz JCQQAFDNVKFDTK-UHFFFAOYSA-N 1 2 273.311 1.361 20 30 CDEDLO C=CCN1C(=O)COCC12C[NH+](Cc1ccc(C)s1)C2 ZINC001272934690 920475804 /nfs/dbraw/zinc/47/58/04/920475804.db2.gz VBIASPCEAWSPNS-UHFFFAOYSA-N 1 2 292.404 1.656 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2ccc(C#N)nc2)Cc2ncn(C)c21 ZINC001140543152 936723002 /nfs/dbraw/zinc/72/30/02/936723002.db2.gz LEXABQGWEWFAOX-ZDUSSCGKSA-N 1 2 297.362 1.433 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2ccc(C#N)nc2)Cc2ncn(C)c21 ZINC001140543152 936723003 /nfs/dbraw/zinc/72/30/03/936723003.db2.gz LEXABQGWEWFAOX-ZDUSSCGKSA-N 1 2 297.362 1.433 20 30 CDEDLO O=C1C=C2C[N@H+](Cc3ccc(CO)o3)CC[C@H]2S1 ZINC001140680284 936738429 /nfs/dbraw/zinc/73/84/29/936738429.db2.gz WIFIGAIXHQLXDY-GFCCVEGCSA-N 1 2 265.334 1.546 20 30 CDEDLO O=C1C=C2C[N@@H+](Cc3ccc(CO)o3)CC[C@H]2S1 ZINC001140680284 936738430 /nfs/dbraw/zinc/73/84/30/936738430.db2.gz WIFIGAIXHQLXDY-GFCCVEGCSA-N 1 2 265.334 1.546 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001098917969 936768647 /nfs/dbraw/zinc/76/86/47/936768647.db2.gz PLEMOGOWPWLAML-SJCJKPOMSA-N 1 2 298.390 1.116 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001098917969 936768649 /nfs/dbraw/zinc/76/86/49/936768649.db2.gz PLEMOGOWPWLAML-SJCJKPOMSA-N 1 2 298.390 1.116 20 30 CDEDLO C=CCO[C@@H](C)C(=O)NCC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001099248530 936783867 /nfs/dbraw/zinc/78/38/67/936783867.db2.gz QIJYCOTXPGCAKU-NEPJUHHUSA-N 1 2 292.383 1.683 20 30 CDEDLO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cccc(C#N)c3O)C[C@@H]21 ZINC001193646241 923839133 /nfs/dbraw/zinc/83/91/33/923839133.db2.gz FPZCKUAPFMHXPD-OCCSQVGLSA-N 1 2 285.347 1.430 20 30 CDEDLO N#Cc1cncc(C(=O)NCc2c[nH+]cn2C2CCC2)c1 ZINC001194120989 924069533 /nfs/dbraw/zinc/06/95/33/924069533.db2.gz HGYMDUMQMBITIS-UHFFFAOYSA-N 1 2 281.319 1.805 20 30 CDEDLO C=CCOC(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC001194304501 924145289 /nfs/dbraw/zinc/14/52/89/924145289.db2.gz JGROHXJPEZVMRD-UHFFFAOYSA-N 1 2 275.352 1.564 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001194343035 924192047 /nfs/dbraw/zinc/19/20/47/924192047.db2.gz JXVYUWFEKAWJLW-GFCCVEGCSA-N 1 2 261.325 1.963 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001100942398 936948298 /nfs/dbraw/zinc/94/82/98/936948298.db2.gz VGJOLZUENXKIRD-ZDUSSCGKSA-N 1 2 274.368 1.694 20 30 CDEDLO Cc1nc(N2CC[C@H](CNC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001100978863 936951324 /nfs/dbraw/zinc/95/13/24/936951324.db2.gz NGFHNSJXYKKAKL-CQSZACIVSA-N 1 2 284.363 1.141 20 30 CDEDLO Cn1c[nH+]c(CCNC(=S)Nc2ccccc2C#N)c1 ZINC001196331733 924872026 /nfs/dbraw/zinc/87/20/26/924872026.db2.gz QQYOAORNRKNUAE-UHFFFAOYSA-N 1 2 285.376 1.821 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cscn1 ZINC001273214943 925178025 /nfs/dbraw/zinc/17/80/25/925178025.db2.gz FAZIQGQOZKHNGV-OAHLLOKOSA-N 1 2 289.404 1.733 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cscn1 ZINC001273214943 925178031 /nfs/dbraw/zinc/17/80/31/925178031.db2.gz FAZIQGQOZKHNGV-OAHLLOKOSA-N 1 2 289.404 1.733 20 30 CDEDLO Cc1cc(NCCN(C)C(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001101543922 936986279 /nfs/dbraw/zinc/98/62/79/936986279.db2.gz GFNXTENEQIXEDU-LLVKDONJSA-N 1 2 289.383 1.938 20 30 CDEDLO Cc1ncoc1C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231293360 925695060 /nfs/dbraw/zinc/69/50/60/925695060.db2.gz MIIDAGDMLBRUJP-ZYHUDNBSSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1ncoc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231293360 925695062 /nfs/dbraw/zinc/69/50/62/925695062.db2.gz MIIDAGDMLBRUJP-ZYHUDNBSSA-N 1 2 276.340 1.175 20 30 CDEDLO COC(=O)C1(C)CCC([NH2+]C2(C#N)CCOCC2)CC1 ZINC001168768704 925790499 /nfs/dbraw/zinc/79/04/99/925790499.db2.gz WIUBUBJCAPVCCF-UHFFFAOYSA-N 1 2 280.368 1.771 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(F)c1 ZINC001085464277 926016296 /nfs/dbraw/zinc/01/62/96/926016296.db2.gz ZBRAINZIMNTMNK-AWEZNQCLSA-N 1 2 260.312 1.605 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(F)c1 ZINC001085464277 926016304 /nfs/dbraw/zinc/01/63/04/926016304.db2.gz ZBRAINZIMNTMNK-AWEZNQCLSA-N 1 2 260.312 1.605 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cncc(Cl)c1C ZINC001085653164 926250225 /nfs/dbraw/zinc/25/02/25/926250225.db2.gz MOWLNUZBNKKQDL-LBPRGKRZSA-N 1 2 291.782 1.823 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cncc(Cl)c1C ZINC001085653164 926250232 /nfs/dbraw/zinc/25/02/32/926250232.db2.gz MOWLNUZBNKKQDL-LBPRGKRZSA-N 1 2 291.782 1.823 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C(C)C)n1 ZINC001085701536 926302362 /nfs/dbraw/zinc/30/23/62/926302362.db2.gz RDXMZXRIHNDSNA-CQSZACIVSA-N 1 2 285.391 1.985 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C(C)C)n1 ZINC001085701536 926302369 /nfs/dbraw/zinc/30/23/69/926302369.db2.gz RDXMZXRIHNDSNA-CQSZACIVSA-N 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C#CCN(C)c1nnc(C[NH+]2CCCCC2)n1CC(C)C ZINC001524878829 970908990 /nfs/dbraw/zinc/90/89/90/970908990.db2.gz PPKXWLCJFKZCTH-UHFFFAOYSA-N 1 2 289.427 1.989 20 30 CDEDLO Cc1cc2n[nH]cc2cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001230225735 942591958 /nfs/dbraw/zinc/59/19/58/942591958.db2.gz YBEKCWFDEOIOKI-UCHAVSLVSA-N 1 2 285.347 1.863 20 30 CDEDLO Cc1cc2n[nH]cc2cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001230225735 942591962 /nfs/dbraw/zinc/59/19/62/942591962.db2.gz YBEKCWFDEOIOKI-UCHAVSLVSA-N 1 2 285.347 1.863 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Oc1cc(F)ccc1C#N ZINC001230636880 942663858 /nfs/dbraw/zinc/66/38/58/942663858.db2.gz QRWJQSCXIZNXBY-LLVKDONJSA-N 1 2 264.300 1.797 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N[C@H](C)CC ZINC001231121691 942793364 /nfs/dbraw/zinc/79/33/64/942793364.db2.gz GROIABJVHLVIKI-KGLIPLIRSA-N 1 2 295.427 1.400 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N[C@H](C)CC ZINC001231121691 942793367 /nfs/dbraw/zinc/79/33/67/942793367.db2.gz GROIABJVHLVIKI-KGLIPLIRSA-N 1 2 295.427 1.400 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(C)no1 ZINC001231227090 942823911 /nfs/dbraw/zinc/82/39/11/942823911.db2.gz VFCCUSDKGIYYCG-ZDUSSCGKSA-N 1 2 293.367 1.218 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(C)no1 ZINC001231227090 942823914 /nfs/dbraw/zinc/82/39/14/942823914.db2.gz VFCCUSDKGIYYCG-ZDUSSCGKSA-N 1 2 293.367 1.218 20 30 CDEDLO C[N@@H+]1CCC12CN(CC(=O)c1cccc(C#N)c1)C2 ZINC001277506379 942856920 /nfs/dbraw/zinc/85/69/20/942856920.db2.gz NLPXOYAIVYCLMI-UHFFFAOYSA-N 1 2 255.321 1.131 20 30 CDEDLO C[N@H+]1CCC12CN(CC(=O)c1cccc(C#N)c1)C2 ZINC001277506379 942856922 /nfs/dbraw/zinc/85/69/22/942856922.db2.gz NLPXOYAIVYCLMI-UHFFFAOYSA-N 1 2 255.321 1.131 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCn2nccc2C1 ZINC001231622286 942947820 /nfs/dbraw/zinc/94/78/20/942947820.db2.gz SYXFXVHHXOUREV-UHFFFAOYSA-N 1 2 268.320 1.779 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCn2nccc2C1 ZINC001231622286 942947826 /nfs/dbraw/zinc/94/78/26/942947826.db2.gz SYXFXVHHXOUREV-UHFFFAOYSA-N 1 2 268.320 1.779 20 30 CDEDLO C#Cc1cccc(C[NH+]2CCN(C(=O)NC)CC2)c1 ZINC001231661119 942965248 /nfs/dbraw/zinc/96/52/48/942965248.db2.gz OFSMIWMBQWRETN-UHFFFAOYSA-N 1 2 257.337 1.125 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(=O)[nH]n3)CC2)cc1 ZINC001232025682 943104927 /nfs/dbraw/zinc/10/49/27/943104927.db2.gz RUQRCXZJJZSIGJ-UHFFFAOYSA-N 1 2 295.346 1.376 20 30 CDEDLO COCc1cccc(C[NH+]2CCN(CCC#N)CC2)n1 ZINC001232255462 943188931 /nfs/dbraw/zinc/18/89/31/943188931.db2.gz HJMKDKJCKMDBFL-UHFFFAOYSA-N 1 2 274.368 1.259 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2C2CC2)c1 ZINC001232678392 943359988 /nfs/dbraw/zinc/35/99/88/943359988.db2.gz XLPZZIFEJUOJPX-CQSZACIVSA-N 1 2 258.321 1.875 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCOC[C@@H]2C2CC2)c1 ZINC001232678392 943359993 /nfs/dbraw/zinc/35/99/93/943359993.db2.gz XLPZZIFEJUOJPX-CQSZACIVSA-N 1 2 258.321 1.875 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC001232681575 943362383 /nfs/dbraw/zinc/36/23/83/943362383.db2.gz RELYWMIEIYEHPX-CQSZACIVSA-N 1 2 283.335 1.692 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC001232681575 943362389 /nfs/dbraw/zinc/36/23/89/943362389.db2.gz RELYWMIEIYEHPX-CQSZACIVSA-N 1 2 283.335 1.692 20 30 CDEDLO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232680032 943362456 /nfs/dbraw/zinc/36/24/56/943362456.db2.gz AEDOSYTWJDZZTK-OAHLLOKOSA-N 1 2 274.320 1.649 20 30 CDEDLO COC(=O)[C@]1(C)CC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232680032 943362462 /nfs/dbraw/zinc/36/24/62/943362462.db2.gz AEDOSYTWJDZZTK-OAHLLOKOSA-N 1 2 274.320 1.649 20 30 CDEDLO N#Cc1ccc(F)cc1C[NH+]1CCC2(CNC(=O)N2)CC1 ZINC001232894362 943428021 /nfs/dbraw/zinc/42/80/21/943428021.db2.gz SUECLBRFQFGSJD-UHFFFAOYSA-N 1 2 288.326 1.345 20 30 CDEDLO CCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2O)CC1 ZINC001233383523 943570573 /nfs/dbraw/zinc/57/05/73/943570573.db2.gz LCEFQLHSRBVXLR-UHFFFAOYSA-N 1 2 273.336 1.318 20 30 CDEDLO 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290.363 1.975 20 30 CDEDLO CCOC(=O)c1cc(C[NH+]2CCN(CCC#N)CC2)c[nH]1 ZINC001234945442 943979218 /nfs/dbraw/zinc/97/92/18/943979218.db2.gz DIGKNNLJWXIURL-UHFFFAOYSA-N 1 2 290.367 1.223 20 30 CDEDLO CCc1cccc(C[NH+]2CCC(C#N)(C(=O)OC)CC2)n1 ZINC001235269734 944109221 /nfs/dbraw/zinc/10/92/21/944109221.db2.gz GHUOUHMYZOYTNY-UHFFFAOYSA-N 1 2 287.363 1.923 20 30 CDEDLO N#CCC[N@H+]1CC[C@H]2CN(C(=O)Cc3ccsc3)C[C@H]21 ZINC001277936535 944114842 /nfs/dbraw/zinc/11/48/42/944114842.db2.gz JXPYTMJOHUUWAF-UONOGXRCSA-N 1 2 289.404 1.737 20 30 CDEDLO N#CCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3ccsc3)C[C@H]21 ZINC001277936535 944114849 /nfs/dbraw/zinc/11/48/49/944114849.db2.gz JXPYTMJOHUUWAF-UONOGXRCSA-N 1 2 289.404 1.737 20 30 CDEDLO CCn1ccnc1CN1C[C@H]2C[C@@H](C1)[N@H+]2CCCC#N ZINC001277942767 944145012 /nfs/dbraw/zinc/14/50/12/944145012.db2.gz CLRXLFWPLHENIA-OKILXGFUSA-N 1 2 273.384 1.465 20 30 CDEDLO CCn1ccnc1CN1C[C@H]2C[C@@H](C1)[N@@H+]2CCCC#N ZINC001277942767 944145014 /nfs/dbraw/zinc/14/50/14/944145014.db2.gz CLRXLFWPLHENIA-OKILXGFUSA-N 1 2 273.384 1.465 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC(C)(C)O)C1 ZINC001265282172 944317952 /nfs/dbraw/zinc/31/79/52/944317952.db2.gz RLYXSZGBFIXLKL-SNVBAGLBSA-N 1 2 260.765 1.090 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)O)C1 ZINC001265282172 944317963 /nfs/dbraw/zinc/31/79/63/944317963.db2.gz RLYXSZGBFIXLKL-SNVBAGLBSA-N 1 2 260.765 1.090 20 30 CDEDLO N#Cc1sccc1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001237515397 944822607 /nfs/dbraw/zinc/82/26/07/944822607.db2.gz OZMJLVSQCHCZRK-UHFFFAOYSA-N 1 2 285.394 1.361 20 30 CDEDLO C=CCS(=O)(=O)N[C@@H](C)c1c[nH+]c2c(C)cccn12 ZINC001259935227 945723314 /nfs/dbraw/zinc/72/33/14/945723314.db2.gz SZVZYTGHFBPYGN-NSHDSACASA-N 1 2 279.365 1.809 20 30 CDEDLO COC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C#N)n(C)c1 ZINC001278339370 946550254 /nfs/dbraw/zinc/55/02/54/946550254.db2.gz BFLKAMGYJPZSJM-BETUJISGSA-N 1 2 288.351 1.312 20 30 CDEDLO COC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)n(C)c1 ZINC001278339370 946550259 /nfs/dbraw/zinc/55/02/59/946550259.db2.gz BFLKAMGYJPZSJM-BETUJISGSA-N 1 2 288.351 1.312 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1ccnc(N2CCCNC2=O)c1 ZINC001255160664 947756817 /nfs/dbraw/zinc/75/68/17/947756817.db2.gz NDSUCSSHJTYBDZ-CYBMUJFWSA-N 1 2 287.367 1.783 20 30 CDEDLO CC[C@@H](CC#N)N1CC([N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001255178001 947768186 /nfs/dbraw/zinc/76/81/86/947768186.db2.gz ZYDJJPBMEYKYKP-XQQFMLRXSA-N 1 2 251.374 1.472 20 30 CDEDLO CC[C@@H](CC#N)N1CC([N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001255178001 947768195 /nfs/dbraw/zinc/76/81/95/947768195.db2.gz ZYDJJPBMEYKYKP-XQQFMLRXSA-N 1 2 251.374 1.472 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](NC2(C#N)CCCCCC2)C[NH2+]1 ZINC001246187027 948017907 /nfs/dbraw/zinc/01/79/07/948017907.db2.gz FBRQFBUEBLXILF-NEPJUHHUSA-N 1 2 265.357 1.096 20 30 CDEDLO N#Cc1ccc(F)c(-c2noc([C@H](CO)n3cc[nH+]c3)n2)c1 ZINC001247260326 948608712 /nfs/dbraw/zinc/60/87/12/948608712.db2.gz FSYAULOTKJIHKH-LBPRGKRZSA-N 1 2 299.265 1.526 20 30 CDEDLO C#CC[C@@H]([NH3+])c1nc(-c2ccc(S(C)(=O)=O)cc2)no1 ZINC001247609073 948678116 /nfs/dbraw/zinc/67/81/16/948678116.db2.gz DIPNPBVCDQVPEB-LLVKDONJSA-N 1 2 291.332 1.163 20 30 CDEDLO C=CCCNC(=S)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001247632403 948693671 /nfs/dbraw/zinc/69/36/71/948693671.db2.gz FVHZAEFIZIUKIZ-ZDUSSCGKSA-N 1 2 277.393 1.985 20 30 CDEDLO CC(=O)OC[C@H]([NH3+])c1nc(-c2cc(F)cc(C#N)c2)no1 ZINC001247695280 948707536 /nfs/dbraw/zinc/70/75/36/948707536.db2.gz MZGWVGYQPIKNFK-NSHDSACASA-N 1 2 290.254 1.310 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cnn3ccc(C#N)cc23)C[C@H](C)O1 ZINC001249082596 949373705 /nfs/dbraw/zinc/37/37/05/949373705.db2.gz ZKNULSHAAGRYHJ-TXEJJXNPSA-N 1 2 270.336 1.815 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cnn3ccc(C#N)cc23)C[C@H](C)O1 ZINC001249082596 949373727 /nfs/dbraw/zinc/37/37/27/949373727.db2.gz ZKNULSHAAGRYHJ-TXEJJXNPSA-N 1 2 270.336 1.815 20 30 CDEDLO N#Cc1ccc2cc(C[N@@H+]3CCN4C(=O)OC[C@H]4C3)[nH]c2c1 ZINC001249429748 949601865 /nfs/dbraw/zinc/60/18/65/949601865.db2.gz OCETWXUSQWYAGS-CQSZACIVSA-N 1 2 296.330 1.676 20 30 CDEDLO N#Cc1ccc2cc(C[N@H+]3CCN4C(=O)OC[C@H]4C3)[nH]c2c1 ZINC001249429748 949601878 /nfs/dbraw/zinc/60/18/78/949601878.db2.gz OCETWXUSQWYAGS-CQSZACIVSA-N 1 2 296.330 1.676 20 30 CDEDLO Nc1ccccc1C(NO)=[NH+]c1ccc2c(c1)OCC(=O)N2 ZINC001249624263 949717581 /nfs/dbraw/zinc/71/75/81/949717581.db2.gz XGJHYTOZALEQIO-UHFFFAOYSA-N 1 2 298.302 1.657 20 30 CDEDLO C#CCOC[C@H](O)CNc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001251867330 950891694 /nfs/dbraw/zinc/89/16/94/950891694.db2.gz CNJTYIONXSDDRC-CQSZACIVSA-N 1 2 271.320 1.499 20 30 CDEDLO CCCCCCCC[C@H](O)C[N@@H+]1CCN(C)C(=O)C1 ZINC001252122636 951153734 /nfs/dbraw/zinc/15/37/34/951153734.db2.gz YNNLHSPPUWBULN-AWEZNQCLSA-N 1 2 270.417 1.872 20 30 CDEDLO CCCCCCCC[C@H](O)C[N@H+]1CCN(C)C(=O)C1 ZINC001252122636 951153743 /nfs/dbraw/zinc/15/37/43/951153743.db2.gz YNNLHSPPUWBULN-AWEZNQCLSA-N 1 2 270.417 1.872 20 30 CDEDLO C=CCOC[C@H](O)C[N@@H+](C)CC(=O)OCc1ccccc1 ZINC001252472781 951325151 /nfs/dbraw/zinc/32/51/51/951325151.db2.gz YZIGEXOUVLUJIR-OAHLLOKOSA-N 1 2 293.363 1.225 20 30 CDEDLO C=CCOC[C@H](O)C[N@H+](C)CC(=O)OCc1ccccc1 ZINC001252472781 951325164 /nfs/dbraw/zinc/32/51/64/951325164.db2.gz YZIGEXOUVLUJIR-OAHLLOKOSA-N 1 2 293.363 1.225 20 30 CDEDLO C=CCOC[C@H](O)C[N@@H+]1CCc2ncc(Cl)cc2C1 ZINC001252473103 951327639 /nfs/dbraw/zinc/32/76/39/951327639.db2.gz GZSCELLLPHPDQQ-CYBMUJFWSA-N 1 2 282.771 1.657 20 30 CDEDLO C=CCOC[C@H](O)C[N@H+]1CCc2ncc(Cl)cc2C1 ZINC001252473103 951327651 /nfs/dbraw/zinc/32/76/51/951327651.db2.gz GZSCELLLPHPDQQ-CYBMUJFWSA-N 1 2 282.771 1.657 20 30 CDEDLO C=C[C@](C)(O)C[NH2+][C@@H](CCSC)C(=O)OCC ZINC001252575497 951466247 /nfs/dbraw/zinc/46/62/47/951466247.db2.gz CNLTVBHASPATEU-JQWIXIFHSA-N 1 2 261.387 1.198 20 30 CDEDLO C=C[C@@H](O)C[N@@H+](C)[C@@H](Cc1ccccc1)C(=O)OC ZINC001253586558 951976903 /nfs/dbraw/zinc/97/69/03/951976903.db2.gz PKUFJLDTYKFSAX-KGLIPLIRSA-N 1 2 263.337 1.249 20 30 CDEDLO C=C[C@@H](O)C[N@H+](C)[C@@H](Cc1ccccc1)C(=O)OC ZINC001253586558 951976908 /nfs/dbraw/zinc/97/69/08/951976908.db2.gz PKUFJLDTYKFSAX-KGLIPLIRSA-N 1 2 263.337 1.249 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC001364442162 954617745 /nfs/dbraw/zinc/61/77/45/954617745.db2.gz DRGYZFOEVGLYMG-NXEZZACHSA-N 1 2 274.324 1.004 20 30 CDEDLO COCC#CC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001328726149 955445100 /nfs/dbraw/zinc/44/51/00/955445100.db2.gz IZYCLNBOQVHLMA-GFCCVEGCSA-N 1 2 263.341 1.064 20 30 CDEDLO Cc1c[nH]nc1C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001492246538 955749824 /nfs/dbraw/zinc/74/98/24/955749824.db2.gz ADSJOWGOKVNKLY-UHFFFAOYSA-N 1 2 297.362 1.452 20 30 CDEDLO Cc1c[nH]nc1C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001492246538 955749832 /nfs/dbraw/zinc/74/98/32/955749832.db2.gz ADSJOWGOKVNKLY-UHFFFAOYSA-N 1 2 297.362 1.452 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1nnc(-c2ccccc2OC)o1 ZINC001329924875 956183094 /nfs/dbraw/zinc/18/30/94/956183094.db2.gz BSHBJWVNDDVICX-SNVBAGLBSA-N 1 2 275.308 1.382 20 30 CDEDLO N#Cc1cccc2c1CCN2C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001363451140 972177004 /nfs/dbraw/zinc/17/70/04/972177004.db2.gz XBEUMGWSEVZEAX-GFCCVEGCSA-N 1 2 292.342 1.906 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cn(CC)nn1 ZINC001422901005 956438221 /nfs/dbraw/zinc/43/82/21/956438221.db2.gz XLVJMGYUHSYYQG-SNVBAGLBSA-N 1 2 285.779 1.101 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cn(CC)nn1 ZINC001422901005 956438226 /nfs/dbraw/zinc/43/82/26/956438226.db2.gz XLVJMGYUHSYYQG-SNVBAGLBSA-N 1 2 285.779 1.101 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc3cccnc3n2)CC1 ZINC001313444643 956861251 /nfs/dbraw/zinc/86/12/51/956861251.db2.gz GSEKILGUDYJJEC-UHFFFAOYSA-N 1 2 296.374 1.964 20 30 CDEDLO C=CC[C@H]1NC(=O)N(Cc2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC001320771895 959381219 /nfs/dbraw/zinc/38/12/19/959381219.db2.gz PPPIOHXOAPJEID-CQSZACIVSA-N 1 2 296.330 1.869 20 30 CDEDLO C=CC[C@@H]([NH2+]C1CCN(C(C)=O)CC1)C(=O)OCC ZINC001321965453 960035911 /nfs/dbraw/zinc/03/59/11/960035911.db2.gz BPZFWTODVNZQHQ-CYBMUJFWSA-N 1 2 268.357 1.095 20 30 CDEDLO C=C[C@H](COC)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC001323293268 960618658 /nfs/dbraw/zinc/61/86/58/960618658.db2.gz YAFLEIVGTORPFO-OAHLLOKOSA-N 1 2 285.347 1.862 20 30 CDEDLO CC#CC(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001337329110 961113817 /nfs/dbraw/zinc/11/38/17/961113817.db2.gz PIRAOVLGMMPQRC-ZDUSSCGKSA-N 1 2 262.740 1.836 20 30 CDEDLO C#CCN(CC1CC1)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC001324368320 961332373 /nfs/dbraw/zinc/33/23/73/961332373.db2.gz HYIGGBPMZGEPMM-KGLIPLIRSA-N 1 2 293.411 1.150 20 30 CDEDLO C=C[C@@H](COC)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001338117599 961641512 /nfs/dbraw/zinc/64/15/12/961641512.db2.gz GAGRNABHLCGVIC-LBPRGKRZSA-N 1 2 273.336 1.502 20 30 CDEDLO N#Cc1ccc(F)c(NC(=O)NCc2ccc(N)[nH+]c2)c1 ZINC001434731765 961833094 /nfs/dbraw/zinc/83/30/94/961833094.db2.gz NQACLCQTUYXQHC-UHFFFAOYSA-N 1 2 285.282 1.996 20 30 CDEDLO N#Cc1cccc(C(=O)Nc2ccn3cc[nH+]c3c2)n1 ZINC001436599019 962315022 /nfs/dbraw/zinc/31/50/22/962315022.db2.gz QNOFEMREOFGXBF-UHFFFAOYSA-N 1 2 263.260 1.853 20 30 CDEDLO Cc1cc(C)c(CNC(=O)c2cc(C#N)ccn2)c[nH+]1 ZINC001436735817 962379538 /nfs/dbraw/zinc/37/95/38/962379538.db2.gz FUDOQLABGBMTFW-UHFFFAOYSA-N 1 2 266.304 1.895 20 30 CDEDLO C=CCN(C)c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1CC ZINC001340444877 962937641 /nfs/dbraw/zinc/93/76/41/962937641.db2.gz ZMAUMRQIHGZMGM-ZDUSSCGKSA-N 1 2 293.415 1.702 20 30 CDEDLO C=CCN(C)c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1CC ZINC001340444877 962937653 /nfs/dbraw/zinc/93/76/53/962937653.db2.gz ZMAUMRQIHGZMGM-ZDUSSCGKSA-N 1 2 293.415 1.702 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cnn(C)c1C ZINC001420530636 963021501 /nfs/dbraw/zinc/02/15/01/963021501.db2.gz OUZIZHRTPRZJBJ-JTQLQIEISA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cnn(C)c1C ZINC001420530636 963021513 /nfs/dbraw/zinc/02/15/13/963021513.db2.gz OUZIZHRTPRZJBJ-JTQLQIEISA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1[nH]c(C)nc1C ZINC001439369168 963741626 /nfs/dbraw/zinc/74/16/26/963741626.db2.gz KCPMAPALYSOHKJ-SECBINFHSA-N 1 2 284.791 1.829 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1[nH]c(C)nc1C ZINC001439369168 963741628 /nfs/dbraw/zinc/74/16/28/963741628.db2.gz KCPMAPALYSOHKJ-SECBINFHSA-N 1 2 284.791 1.829 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)COCC1CC1 ZINC001440905881 964245066 /nfs/dbraw/zinc/24/50/66/964245066.db2.gz IMCFHFQWHDMWMZ-NSHDSACASA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)COCC1CC1 ZINC001440905881 964245075 /nfs/dbraw/zinc/24/50/75/964245075.db2.gz IMCFHFQWHDMWMZ-NSHDSACASA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(CC(C)C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001346500788 965145287 /nfs/dbraw/zinc/14/52/87/965145287.db2.gz NWMBVPYSFBPAFI-ZIAGYGMSSA-N 1 2 267.417 1.339 20 30 CDEDLO C=C(CC(C)C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001346500788 965145290 /nfs/dbraw/zinc/14/52/90/965145290.db2.gz NWMBVPYSFBPAFI-ZIAGYGMSSA-N 1 2 267.417 1.339 20 30 CDEDLO C#CCN(C)c1nnc(Cc2[nH+]ccn2C)n1CC1CC1 ZINC001346666113 965202397 /nfs/dbraw/zinc/20/23/97/965202397.db2.gz MPJIFHQZUMBKJN-UHFFFAOYSA-N 1 2 284.367 1.082 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1cscn1 ZINC001442918203 965277831 /nfs/dbraw/zinc/27/78/31/965277831.db2.gz FWUCNHYZEFXEBH-NSHDSACASA-N 1 2 280.397 1.631 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1cscn1 ZINC001442918203 965277841 /nfs/dbraw/zinc/27/78/41/965277841.db2.gz FWUCNHYZEFXEBH-NSHDSACASA-N 1 2 280.397 1.631 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](OCC)C1CC1 ZINC001444981494 966037948 /nfs/dbraw/zinc/03/79/48/966037948.db2.gz ZEQVBGVTNVJXOB-CYBMUJFWSA-N 1 2 288.819 1.944 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](OCC)C1CC1 ZINC001444981494 966037961 /nfs/dbraw/zinc/03/79/61/966037961.db2.gz ZEQVBGVTNVJXOB-CYBMUJFWSA-N 1 2 288.819 1.944 20 30 CDEDLO C[C@@H](C(=O)N1CCc2c1cccc2C#N)n1cc[nH+]c1 ZINC001348655427 966115178 /nfs/dbraw/zinc/11/51/78/966115178.db2.gz ROASPHIHLASLNE-NSHDSACASA-N 1 2 266.304 1.905 20 30 CDEDLO C=C(C)COCCNC(=O)CCc1[nH+]ccn1C ZINC001351655654 966969116 /nfs/dbraw/zinc/96/91/16/966969116.db2.gz CFSUHROOJLXOTJ-UHFFFAOYSA-N 1 2 251.330 1.062 20 30 CDEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001356152969 969344616 /nfs/dbraw/zinc/34/46/16/969344616.db2.gz RSMRUIPPMFFMAR-CHWSQXEVSA-N 1 2 298.394 1.635 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CCC)n2CC=C)CC1 ZINC001520320220 970169966 /nfs/dbraw/zinc/16/99/66/970169966.db2.gz KGLNUPFXSJZBMX-UHFFFAOYSA-N 1 2 273.384 1.172 20 30 CDEDLO CC[C@H](C(=O)N(C)C1(C#N)CCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001361864825 970619150 /nfs/dbraw/zinc/61/91/50/970619150.db2.gz YXSVKGLTYPGBDY-ZIAGYGMSSA-N 1 2 293.411 1.780 20 30 CDEDLO CC[C@H](C(=O)N(C)C1(C#N)CCC1)[N@H+]1CCO[C@H](CC)C1 ZINC001361864825 970619158 /nfs/dbraw/zinc/61/91/58/970619158.db2.gz YXSVKGLTYPGBDY-ZIAGYGMSSA-N 1 2 293.411 1.780 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cccc2n[nH]cc21 ZINC001418483316 973885585 /nfs/dbraw/zinc/88/55/85/973885585.db2.gz QJUCWUCQEKDHRH-UHFFFAOYSA-N 1 2 292.770 1.977 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cccc2n[nH]cc21 ZINC001418483316 973885593 /nfs/dbraw/zinc/88/55/93/973885593.db2.gz QJUCWUCQEKDHRH-UHFFFAOYSA-N 1 2 292.770 1.977 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cc1c(C)noc1C ZINC001418522583 973927916 /nfs/dbraw/zinc/92/79/16/973927916.db2.gz GTPFNYKVUCGDCR-UHFFFAOYSA-N 1 2 285.775 1.634 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cc1c(C)noc1C ZINC001418522583 973927924 /nfs/dbraw/zinc/92/79/24/973927924.db2.gz GTPFNYKVUCGDCR-UHFFFAOYSA-N 1 2 285.775 1.634 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccc(OC)nn1 ZINC001374548552 974014316 /nfs/dbraw/zinc/01/43/16/974014316.db2.gz YYAMSIDORZSQIG-UHFFFAOYSA-N 1 2 298.774 1.242 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccc(OC)nn1 ZINC001374548552 974014328 /nfs/dbraw/zinc/01/43/28/974014328.db2.gz YYAMSIDORZSQIG-UHFFFAOYSA-N 1 2 298.774 1.242 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCCn1cncn1 ZINC001378170911 975269221 /nfs/dbraw/zinc/26/92/21/975269221.db2.gz INFXIONVPYSFFA-GFCCVEGCSA-N 1 2 299.806 1.247 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCCn1cncn1 ZINC001378170911 975269225 /nfs/dbraw/zinc/26/92/25/975269225.db2.gz INFXIONVPYSFFA-GFCCVEGCSA-N 1 2 299.806 1.247 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cn(C)cn1 ZINC001492935124 975467194 /nfs/dbraw/zinc/46/71/94/975467194.db2.gz UTXWZVWJCYYDHD-UHFFFAOYSA-N 1 2 270.764 1.224 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cn(C)cn1 ZINC001492935124 975467200 /nfs/dbraw/zinc/46/72/00/975467200.db2.gz UTXWZVWJCYYDHD-UHFFFAOYSA-N 1 2 270.764 1.224 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCc2cnccn2)C1 ZINC001389499754 975872079 /nfs/dbraw/zinc/87/20/79/975872079.db2.gz PFXWPPXNJXFHOY-ZDUSSCGKSA-N 1 2 294.786 1.352 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCc2cnccn2)C1 ZINC001389499754 975872089 /nfs/dbraw/zinc/87/20/89/975872089.db2.gz PFXWPPXNJXFHOY-ZDUSSCGKSA-N 1 2 294.786 1.352 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)COC(C)C)C1 ZINC001380344869 976363958 /nfs/dbraw/zinc/36/39/58/976363958.db2.gz FTKGAIRWBMGPHE-ZDUSSCGKSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)COC(C)C)C1 ZINC001380344869 976363970 /nfs/dbraw/zinc/36/39/70/976363970.db2.gz FTKGAIRWBMGPHE-ZDUSSCGKSA-N 1 2 274.792 1.745 20 30 CDEDLO Cc1ccnc(C[N@@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)n1 ZINC001402635188 976414276 /nfs/dbraw/zinc/41/42/76/976414276.db2.gz DPCUHSPUSWNSEQ-LBPRGKRZSA-N 1 2 289.383 1.225 20 30 CDEDLO Cc1ccnc(C[N@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)n1 ZINC001402635188 976414280 /nfs/dbraw/zinc/41/42/80/976414280.db2.gz DPCUHSPUSWNSEQ-LBPRGKRZSA-N 1 2 289.383 1.225 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnn(CC)c1C ZINC001390837477 976542982 /nfs/dbraw/zinc/54/29/82/976542982.db2.gz OWMBLZCPRYDKIP-UHFFFAOYSA-N 1 2 284.791 1.626 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnn(CC)c1C ZINC001390837477 976542986 /nfs/dbraw/zinc/54/29/86/976542986.db2.gz 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/nfs/dbraw/zinc/65/71/11/976657111.db2.gz ZNPKYHIHTDISLD-CQSZACIVSA-N 1 2 288.819 1.728 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cn1nccc1C ZINC001403178528 976788231 /nfs/dbraw/zinc/78/82/31/976788231.db2.gz AWZGZCOJAOYTEI-GFCCVEGCSA-N 1 2 284.791 1.381 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cn1nccc1C ZINC001403178528 976788242 /nfs/dbraw/zinc/78/82/42/976788242.db2.gz AWZGZCOJAOYTEI-GFCCVEGCSA-N 1 2 284.791 1.381 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cn(CC)cn1 ZINC001381613461 976948184 /nfs/dbraw/zinc/94/81/84/976948184.db2.gz XOWBMNTZOSIAHR-NSHDSACASA-N 1 2 284.791 1.706 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cn(CC)cn1 ZINC001381613461 976948197 /nfs/dbraw/zinc/94/81/97/976948197.db2.gz XOWBMNTZOSIAHR-NSHDSACASA-N 1 2 284.791 1.706 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(C)n[nH]1 ZINC001392634035 977502389 /nfs/dbraw/zinc/50/23/89/977502389.db2.gz BCGACDFEPHXXET-SNVBAGLBSA-N 1 2 270.764 1.521 20 30 CDEDLO 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CC(C)(C#N)C[C@H](O)C[N@H+]1CCOC[C@H]1c1ccco1 ZINC000598591412 343838268 /nfs/dbraw/zinc/83/82/68/343838268.db2.gz AZBQDSYMOSWSBW-STQMWFEESA-N 1 2 278.352 1.954 20 30 CDEDLO Cn1cc([C@H]2C[N@H+](C[C@@H](O)CC(C)(C)C#N)CCO2)cn1 ZINC000598592917 343838959 /nfs/dbraw/zinc/83/89/59/343838959.db2.gz NCTJOBSOJVELEP-UONOGXRCSA-N 1 2 292.383 1.094 20 30 CDEDLO Cn1cc([C@H]2C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CCO2)cn1 ZINC000598592917 343838960 /nfs/dbraw/zinc/83/89/60/343838960.db2.gz NCTJOBSOJVELEP-UONOGXRCSA-N 1 2 292.383 1.094 20 30 CDEDLO C[N@@H+]1CCOC[C@@H]1CNc1nc2c(cc1C#N)CCCC2 ZINC000599160494 343970828 /nfs/dbraw/zinc/97/08/28/343970828.db2.gz KMVLSYUWVODQLR-AWEZNQCLSA-N 1 2 286.379 1.575 20 30 CDEDLO C[N@H+]1CCOC[C@@H]1CNc1nc2c(cc1C#N)CCCC2 ZINC000599160494 343970831 /nfs/dbraw/zinc/97/08/31/343970831.db2.gz KMVLSYUWVODQLR-AWEZNQCLSA-N 1 2 286.379 1.575 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCOC2(CCC2)C1 ZINC000527299041 362307232 /nfs/dbraw/zinc/30/72/32/362307232.db2.gz APOIRUDAACXTMJ-GFCCVEGCSA-N 1 2 277.368 1.192 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCOC2(CCC2)C1 ZINC000527299041 362307236 /nfs/dbraw/zinc/30/72/36/362307236.db2.gz APOIRUDAACXTMJ-GFCCVEGCSA-N 1 2 277.368 1.192 20 30 CDEDLO Cc1cc(=NC(=O)Nc2cc[nH+]cc2C)[nH]n1CCC#N ZINC000446338776 362321303 /nfs/dbraw/zinc/32/13/03/362321303.db2.gz AQGSCFMOTYARAP-UHFFFAOYSA-N 1 2 284.323 1.296 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599645781 344113053 /nfs/dbraw/zinc/11/30/53/344113053.db2.gz DYDGHEXRSOLQFO-GFCCVEGCSA-N 1 2 299.374 1.701 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2c(O)cccc2C1 ZINC000599645781 344113055 /nfs/dbraw/zinc/11/30/55/344113055.db2.gz DYDGHEXRSOLQFO-GFCCVEGCSA-N 1 2 299.374 1.701 20 30 CDEDLO N#CCN(CC[NH+]1CCOCC1)c1ccccc1F ZINC000599614078 344095507 /nfs/dbraw/zinc/09/55/07/344095507.db2.gz QVZRQWGHJQPMMG-UHFFFAOYSA-N 1 2 263.316 1.488 20 30 CDEDLO C[N@H+](Cc1cn[nH]c1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000085824674 344160966 /nfs/dbraw/zinc/16/09/66/344160966.db2.gz NUORKDIXFCKJPR-UHFFFAOYSA-N 1 2 294.318 1.963 20 30 CDEDLO C[N@@H+](Cc1cn[nH]c1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000085824674 344160969 /nfs/dbraw/zinc/16/09/69/344160969.db2.gz NUORKDIXFCKJPR-UHFFFAOYSA-N 1 2 294.318 1.963 20 30 CDEDLO C=CCOC[C@H]([NH2+]CCC1CCOCC1)C(=O)OC ZINC000602642885 344512973 /nfs/dbraw/zinc/51/29/73/344512973.db2.gz BMWODPPUGKDZBM-ZDUSSCGKSA-N 1 2 271.357 1.137 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)on1 ZINC000265504796 362435368 /nfs/dbraw/zinc/43/53/68/362435368.db2.gz JAZWNDUDUQPECC-UHFFFAOYSA-N 1 2 283.335 1.572 20 30 CDEDLO CC[C@@H]1C[N@H+](CC2(CC#N)CC2)C[C@H](C)[S@]1=O ZINC000602831463 344614333 /nfs/dbraw/zinc/61/43/33/344614333.db2.gz PHMFSMPWMUPHLM-XWCIJXRUSA-N 1 2 254.399 1.912 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC2(CC#N)CC2)C[C@H](C)[S@]1=O ZINC000602831463 344614334 /nfs/dbraw/zinc/61/43/34/344614334.db2.gz PHMFSMPWMUPHLM-XWCIJXRUSA-N 1 2 254.399 1.912 20 30 CDEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccccn2)CC1 ZINC000602807277 344615768 /nfs/dbraw/zinc/61/57/68/344615768.db2.gz RFWPZRQTXFBUGK-UHFFFAOYSA-N 1 2 258.325 1.646 20 30 CDEDLO COc1cccc(CN(C)C(=O)C[NH2+][C@@H](C)CC#N)c1 ZINC000602861702 344617402 /nfs/dbraw/zinc/61/74/02/344617402.db2.gz HRMNXOXYBQUAMP-LBPRGKRZSA-N 1 2 275.352 1.545 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCCOc1ccc(Cl)cc1 ZINC000602863221 344619755 /nfs/dbraw/zinc/61/97/55/344619755.db2.gz LZOLZNISWKWUBJ-NSHDSACASA-N 1 2 295.770 1.727 20 30 CDEDLO Cc1cccc(OCCNC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N)c1 ZINC000602863339 344625882 /nfs/dbraw/zinc/62/58/82/344625882.db2.gz OQGICIWOJLBAIU-UONOGXRCSA-N 1 2 289.379 1.770 20 30 CDEDLO Cc1ccc(CN(C(=O)C[NH2+][C@@H](C)CC#N)C2CC2)o1 ZINC000602865134 344638390 /nfs/dbraw/zinc/63/83/90/344638390.db2.gz WLFOAVPDDVDYRK-NSHDSACASA-N 1 2 275.352 1.971 20 30 CDEDLO C[C@H](CC#N)[NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000602868416 344639957 /nfs/dbraw/zinc/63/99/57/344639957.db2.gz BGZDMVCGOQPACX-MRVPVSSYSA-N 1 2 287.772 1.379 20 30 CDEDLO Cc1csc2nc(C[NH2+][C@H](C)CC#N)cc(=O)n12 ZINC000602869303 344640000 /nfs/dbraw/zinc/64/00/00/344640000.db2.gz NHQXWSVRBZPYJR-MRVPVSSYSA-N 1 2 262.338 1.456 20 30 CDEDLO CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161568 347064820 /nfs/dbraw/zinc/06/48/20/347064820.db2.gz GHSQBVCUVIWHKG-RISCZKNCSA-N 1 2 280.372 1.235 20 30 CDEDLO CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161568 347064821 /nfs/dbraw/zinc/06/48/21/347064821.db2.gz GHSQBVCUVIWHKG-RISCZKNCSA-N 1 2 280.372 1.235 20 30 CDEDLO CCC(O)(CC)CC/[NH+]=C/c1c(O)c(C)ncc1CO ZINC000276457694 345375617 /nfs/dbraw/zinc/37/56/17/345375617.db2.gz WVQVFJINAQCMSI-CXUHLZMHSA-N 1 2 280.368 1.948 20 30 CDEDLO C=CCNC(=O)C[N@@H+](CCOC)Cc1cccs1 ZINC000053099699 345762696 /nfs/dbraw/zinc/76/26/96/345762696.db2.gz GWKAIMWZMLGFRU-UHFFFAOYSA-N 1 2 268.382 1.499 20 30 CDEDLO C=CCNC(=O)C[N@H+](CCOC)Cc1cccs1 ZINC000053099699 345762697 /nfs/dbraw/zinc/76/26/97/345762697.db2.gz GWKAIMWZMLGFRU-UHFFFAOYSA-N 1 2 268.382 1.499 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617729805 345938570 /nfs/dbraw/zinc/93/85/70/345938570.db2.gz HLRWXHGCWMPKTO-KBPBESRZSA-N 1 2 280.412 1.980 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617729805 345938573 /nfs/dbraw/zinc/93/85/73/345938573.db2.gz HLRWXHGCWMPKTO-KBPBESRZSA-N 1 2 280.412 1.980 20 30 CDEDLO CCC[C@@H](C(=O)OCC)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000610133224 346208562 /nfs/dbraw/zinc/20/85/62/346208562.db2.gz QZKXCGXLQCDIRA-LSDHHAIUSA-N 1 2 295.427 1.884 20 30 CDEDLO COCC[N@H+](CCC#N)C[C@@H](O)COc1ccccc1F ZINC000610511746 346300819 /nfs/dbraw/zinc/30/08/19/346300819.db2.gz TXQUXVQKQTUONB-CYBMUJFWSA-N 1 2 296.342 1.427 20 30 CDEDLO COCC[N@@H+](CCC#N)C[C@@H](O)COc1ccccc1F ZINC000610511746 346300823 /nfs/dbraw/zinc/30/08/23/346300823.db2.gz TXQUXVQKQTUONB-CYBMUJFWSA-N 1 2 296.342 1.427 20 30 CDEDLO CC(C)[C@H](C#N)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC000610581982 346318628 /nfs/dbraw/zinc/31/86/28/346318628.db2.gz DBJVJDHXGVCMBS-AWEZNQCLSA-N 1 2 261.373 1.086 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000584778829 346431031 /nfs/dbraw/zinc/43/10/31/346431031.db2.gz ZBBNJVDHMUNYIS-CHWSQXEVSA-N 1 2 291.395 1.581 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000584778829 346431035 /nfs/dbraw/zinc/43/10/35/346431035.db2.gz ZBBNJVDHMUNYIS-CHWSQXEVSA-N 1 2 291.395 1.581 20 30 CDEDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000610992130 346567614 /nfs/dbraw/zinc/56/76/14/346567614.db2.gz BWVKPANQVZWJHI-CYBMUJFWSA-N 1 2 272.352 1.444 20 30 CDEDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610992130 346567615 /nfs/dbraw/zinc/56/76/15/346567615.db2.gz BWVKPANQVZWJHI-CYBMUJFWSA-N 1 2 272.352 1.444 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3cn[nH]c3)CC2)c(F)c1 ZINC000611265627 346726737 /nfs/dbraw/zinc/72/67/37/346726737.db2.gz JQBVIKSSJSJEMB-UHFFFAOYSA-N 1 2 285.326 1.743 20 30 CDEDLO COCCN(CCC#N)Cc1cccc2[nH+]ccn21 ZINC000611413658 346780721 /nfs/dbraw/zinc/78/07/21/346780721.db2.gz KKQYZHVNFMCZSL-UHFFFAOYSA-N 1 2 258.325 1.696 20 30 CDEDLO N#CC1(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000611430867 346787963 /nfs/dbraw/zinc/78/79/63/346787963.db2.gz WNHQDMZCRFDQNA-LLVKDONJSA-N 1 2 287.323 1.780 20 30 CDEDLO N#CC1(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000611430867 346787966 /nfs/dbraw/zinc/78/79/66/346787966.db2.gz WNHQDMZCRFDQNA-LLVKDONJSA-N 1 2 287.323 1.780 20 30 CDEDLO N#CCNC(=O)C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000066473434 347488915 /nfs/dbraw/zinc/48/89/15/347488915.db2.gz NFOFSTBWBRBQAF-UHFFFAOYSA-N 1 2 261.300 1.430 20 30 CDEDLO N#CCNC(=O)C[N@H+](Cc1ccccc1F)C1CC1 ZINC000066473434 347488918 /nfs/dbraw/zinc/48/89/18/347488918.db2.gz NFOFSTBWBRBQAF-UHFFFAOYSA-N 1 2 261.300 1.430 20 30 CDEDLO CCCc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)no1 ZINC000574457444 348479163 /nfs/dbraw/zinc/47/91/63/348479163.db2.gz PBRSCFVYXQAFHI-CYBMUJFWSA-N 1 2 264.329 1.201 20 30 CDEDLO CCc1[nH+]c2ccccc2n1CC(=O)NC[C@@H](C)C#N ZINC000171840476 348481110 /nfs/dbraw/zinc/48/11/10/348481110.db2.gz ROQNARAJXCFAJK-NSHDSACASA-N 1 2 270.336 1.875 20 30 CDEDLO Cc1ccnc(NCC[N@@H+]2CCOC(C)(C)C2)c1C#N ZINC000273421793 192145332 /nfs/dbraw/zinc/14/53/32/192145332.db2.gz ZAOPWBJZYXAQRH-UHFFFAOYSA-N 1 2 274.368 1.784 20 30 CDEDLO Cc1ccnc(NCC[N@H+]2CCOC(C)(C)C2)c1C#N ZINC000273421793 192145334 /nfs/dbraw/zinc/14/53/34/192145334.db2.gz ZAOPWBJZYXAQRH-UHFFFAOYSA-N 1 2 274.368 1.784 20 30 CDEDLO N#CCc1ccccc1S(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000619572724 348652065 /nfs/dbraw/zinc/65/20/65/348652065.db2.gz QMYVZNABIZSEBS-UHFFFAOYSA-N 1 2 299.355 1.899 20 30 CDEDLO C#CCN(CC)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000056612870 348820320 /nfs/dbraw/zinc/82/03/20/348820320.db2.gz QSDLCARRKDRDKO-UHFFFAOYSA-N 1 2 286.379 1.847 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000064442916 348940106 /nfs/dbraw/zinc/94/01/06/348940106.db2.gz JJGJXJPKVTZOGH-UHFFFAOYSA-N 1 2 278.302 1.746 20 30 CDEDLO C[C@H](c1cc(F)ccc1F)[N@H+](C)CC(=O)NCC#N ZINC000066495041 348985595 /nfs/dbraw/zinc/98/55/95/348985595.db2.gz CVWOZQLGHFYYNH-SECBINFHSA-N 1 2 267.279 1.597 20 30 CDEDLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)CC(=O)NCC#N ZINC000066495041 348985596 /nfs/dbraw/zinc/98/55/96/348985596.db2.gz CVWOZQLGHFYYNH-SECBINFHSA-N 1 2 267.279 1.597 20 30 CDEDLO C=CC[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066561081 348989741 /nfs/dbraw/zinc/98/97/41/348989741.db2.gz AKPSPNFIHLUMMX-HNNXBMFYSA-N 1 2 290.388 1.733 20 30 CDEDLO C=CC[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066561081 348989742 /nfs/dbraw/zinc/98/97/42/348989742.db2.gz AKPSPNFIHLUMMX-HNNXBMFYSA-N 1 2 290.388 1.733 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1cnn(CC)c1 ZINC000072983169 349143820 /nfs/dbraw/zinc/14/38/20/349143820.db2.gz GBRDCJDSRUETHI-ZDUSSCGKSA-N 1 2 291.399 1.343 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1cnn(CC)c1 ZINC000072983169 349143823 /nfs/dbraw/zinc/14/38/23/349143823.db2.gz GBRDCJDSRUETHI-ZDUSSCGKSA-N 1 2 291.399 1.343 20 30 CDEDLO COc1ccccc1C[N@H+](CCO)Cc1cccc(C#N)n1 ZINC000602448128 350110291 /nfs/dbraw/zinc/11/02/91/350110291.db2.gz LRCKBAKEDSAMIV-UHFFFAOYSA-N 1 2 297.358 1.956 20 30 CDEDLO COc1ccccc1C[N@@H+](CCO)Cc1cccc(C#N)n1 ZINC000602448128 350110294 /nfs/dbraw/zinc/11/02/94/350110294.db2.gz LRCKBAKEDSAMIV-UHFFFAOYSA-N 1 2 297.358 1.956 20 30 CDEDLO N#Cc1cccc(C[NH+]2CCN(c3cnccn3)CC2)n1 ZINC000602443838 350110462 /nfs/dbraw/zinc/11/04/62/350110462.db2.gz XBAIYZSLPQZDOA-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cccc(C#N)n1)C[C@@H](C)O2 ZINC000602644532 350136467 /nfs/dbraw/zinc/13/64/67/350136467.db2.gz SUOUIOKPDJRMCQ-XJKCOSOUSA-N 1 2 287.363 1.722 20 30 CDEDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cccc(C#N)n1)C[C@@H](C)O2 ZINC000602644532 350136471 /nfs/dbraw/zinc/13/64/71/350136471.db2.gz SUOUIOKPDJRMCQ-XJKCOSOUSA-N 1 2 287.363 1.722 20 30 CDEDLO C[C@@H]1C[C@H](NC(=O)Nc2ccnc(C#N)c2)c2[nH+]ccn21 ZINC000603120524 350208331 /nfs/dbraw/zinc/20/83/31/350208331.db2.gz AXFWUFVMOUXPDF-SKDRFNHKSA-N 1 2 282.307 1.977 20 30 CDEDLO CC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 ZINC000292400994 198273911 /nfs/dbraw/zinc/27/39/11/198273911.db2.gz UYDZMWBWFXJHIN-UHFFFAOYSA-N 1 2 297.355 1.024 20 30 CDEDLO C=CCCOCCNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000155182828 188188787 /nfs/dbraw/zinc/18/87/87/188188787.db2.gz WPHRJXDLSRBHID-UHFFFAOYSA-N 1 2 286.335 1.590 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cccn2C(F)F)C1 ZINC001660121917 1172163621 /nfs/dbraw/zinc/16/36/21/1172163621.db2.gz YLZKNYVRNRAJQY-GFCCVEGCSA-N 1 2 255.268 1.734 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cccn2C(F)F)C1 ZINC001660121917 1172163625 /nfs/dbraw/zinc/16/36/25/1172163625.db2.gz YLZKNYVRNRAJQY-GFCCVEGCSA-N 1 2 255.268 1.734 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1ccnn1CC ZINC000352364832 363278359 /nfs/dbraw/zinc/27/83/59/363278359.db2.gz JEZHLQNNQSSSGO-ZDUSSCGKSA-N 1 2 291.399 1.343 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccnn1CC ZINC000352364832 363278364 /nfs/dbraw/zinc/27/83/64/363278364.db2.gz JEZHLQNNQSSSGO-ZDUSSCGKSA-N 1 2 291.399 1.343 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000293288311 198589508 /nfs/dbraw/zinc/58/95/08/198589508.db2.gz RTPXCNSZNXXECZ-UHFFFAOYSA-N 1 2 283.335 1.586 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)Nc1cccc(C#N)c1 ZINC000336394769 356162238 /nfs/dbraw/zinc/16/22/38/356162238.db2.gz LXSAGNLJSTUZHJ-UHFFFAOYSA-N 1 2 255.281 1.613 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)s1 ZINC000378347870 283140827 /nfs/dbraw/zinc/14/08/27/283140827.db2.gz WSRIWHWTNUGWGI-VIFPVBQESA-N 1 2 263.322 1.256 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)s1 ZINC000378347870 283140832 /nfs/dbraw/zinc/14/08/32/283140832.db2.gz WSRIWHWTNUGWGI-VIFPVBQESA-N 1 2 263.322 1.256 20 30 CDEDLO C[C@@H](C#N)CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000521336805 356389299 /nfs/dbraw/zinc/38/92/99/356389299.db2.gz GWWSLYJOZMJKAE-NSHDSACASA-N 1 2 275.356 1.520 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000299280169 357007600 /nfs/dbraw/zinc/00/76/00/357007600.db2.gz MYSNFTJSFOQNFB-HNNXBMFYSA-N 1 2 268.360 1.602 20 30 CDEDLO COCC[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000566425533 357697811 /nfs/dbraw/zinc/69/78/11/357697811.db2.gz ZOVKEOZQEHBWFV-CQSZACIVSA-N 1 2 261.325 1.191 20 30 CDEDLO COCC[C@@H]1COCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000566425533 357697813 /nfs/dbraw/zinc/69/78/13/357697813.db2.gz ZOVKEOZQEHBWFV-CQSZACIVSA-N 1 2 261.325 1.191 20 30 CDEDLO C[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)n2)c2nccn21 ZINC000602679802 357731582 /nfs/dbraw/zinc/73/15/82/357731582.db2.gz BXMDWLGJBWKNDF-GXFFZTMASA-N 1 2 253.309 1.945 20 30 CDEDLO N#Cc1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)[nH]1 ZINC000337469796 358048190 /nfs/dbraw/zinc/04/81/90/358048190.db2.gz OVPRMOLXEQPYSI-UHFFFAOYSA-N 1 2 265.276 1.464 20 30 CDEDLO N#Cc1cccc(OCC[N@@H+]2CCOC[C@@]23CCOC3)c1 ZINC000193699319 358317654 /nfs/dbraw/zinc/31/76/54/358317654.db2.gz JRBXROFFSVGNEC-INIZCTEOSA-N 1 2 288.347 1.428 20 30 CDEDLO N#Cc1cccc(OCC[N@H+]2CCOC[C@@]23CCOC3)c1 ZINC000193699319 358317658 /nfs/dbraw/zinc/31/76/58/358317658.db2.gz JRBXROFFSVGNEC-INIZCTEOSA-N 1 2 288.347 1.428 20 30 CDEDLO C=CC[N@@H+](CC(=O)NC(N)=O)Cc1ccc(Cl)s1 ZINC000016341614 358564662 /nfs/dbraw/zinc/56/46/62/358564662.db2.gz OTKXZGVSYRSDRI-UHFFFAOYSA-N 1 2 287.772 1.584 20 30 CDEDLO C=CC[N@H+](CC(=O)NC(N)=O)Cc1ccc(Cl)s1 ZINC000016341614 358564667 /nfs/dbraw/zinc/56/46/67/358564667.db2.gz OTKXZGVSYRSDRI-UHFFFAOYSA-N 1 2 287.772 1.584 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000592152722 358587628 /nfs/dbraw/zinc/58/76/28/358587628.db2.gz BWHJMQRGEPTBIX-CYBMUJFWSA-N 1 2 252.264 1.815 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000592152722 358587630 /nfs/dbraw/zinc/58/76/30/358587630.db2.gz BWHJMQRGEPTBIX-CYBMUJFWSA-N 1 2 252.264 1.815 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)/C=C/c1[nH+]ccn1CC ZINC000493858734 366497420 /nfs/dbraw/zinc/49/74/20/366497420.db2.gz PLRMOIMXBDNEJI-AIIUZBJTSA-N 1 2 261.325 1.376 20 30 CDEDLO CC(C)[NH+]1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000085121573 359042269 /nfs/dbraw/zinc/04/22/69/359042269.db2.gz OGTBYWRLKHRWDJ-UHFFFAOYSA-N 1 2 293.392 1.273 20 30 CDEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](O)C1 ZINC000286756254 359127891 /nfs/dbraw/zinc/12/78/91/359127891.db2.gz GQYSWUPBUWVMRA-GFCCVEGCSA-N 1 2 281.153 1.887 20 30 CDEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000286756254 359127894 /nfs/dbraw/zinc/12/78/94/359127894.db2.gz GQYSWUPBUWVMRA-GFCCVEGCSA-N 1 2 281.153 1.887 20 30 CDEDLO C=CCCC[NH+]1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000117872821 359291346 /nfs/dbraw/zinc/29/13/46/359291346.db2.gz OXMIYHLOHDZFAL-UHFFFAOYSA-N 1 2 295.408 1.354 20 30 CDEDLO C#CC[NH+]1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000277206140 359559258 /nfs/dbraw/zinc/55/92/58/359559258.db2.gz WDWWKQVYGUDOAW-UHFFFAOYSA-N 1 2 255.243 1.254 20 30 CDEDLO CC#CC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000277341210 359561049 /nfs/dbraw/zinc/56/10/49/359561049.db2.gz DOPQKUGVICUFLE-LBPRGKRZSA-N 1 2 266.291 1.707 20 30 CDEDLO CC#CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000277316096 359562185 /nfs/dbraw/zinc/56/21/85/359562185.db2.gz DDRBTGUSMCQDOS-UHFFFAOYSA-N 1 2 258.321 1.481 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000279634651 359590397 /nfs/dbraw/zinc/59/03/97/359590397.db2.gz ZNUWWVKBPIIYOJ-JHJVBQTASA-N 1 2 263.341 1.369 20 30 CDEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCCn1cc[nH+]c1 ZINC000172671524 237321978 /nfs/dbraw/zinc/32/19/78/237321978.db2.gz BBIPJJWHNLWZHQ-UHFFFAOYSA-N 1 2 290.348 1.042 20 30 CDEDLO CC#CCN(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000297195313 200110503 /nfs/dbraw/zinc/11/05/03/200110503.db2.gz VPYSZCRHJHEWPZ-UHFFFAOYSA-N 1 2 260.341 1.548 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NC(CC)CC)C1=O ZINC000337220903 360035201 /nfs/dbraw/zinc/03/52/01/360035201.db2.gz KWIXGDDVDDSYJT-OCCSQVGLSA-N 1 2 295.427 1.398 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)NC(CC)CC)C1=O ZINC000337220903 360035203 /nfs/dbraw/zinc/03/52/03/360035203.db2.gz KWIXGDDVDDSYJT-OCCSQVGLSA-N 1 2 295.427 1.398 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000337588892 360273800 /nfs/dbraw/zinc/27/38/00/360273800.db2.gz MBHLKPVAJNJVCD-UKRRQHHQSA-N 1 2 289.379 1.536 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)CNc1cccc(C#N)c1 ZINC000122594114 360305384 /nfs/dbraw/zinc/30/53/84/360305384.db2.gz DSFSPDOZVSHSBA-UHFFFAOYSA-N 1 2 297.362 1.715 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000335547037 360401301 /nfs/dbraw/zinc/40/13/01/360401301.db2.gz YLBLQWYKQAQNBI-CMPLNLGQSA-N 1 2 254.293 1.756 20 30 CDEDLO Cn1ncc2c1nc(N1CCC(CCC#N)CC1)[nH+]c2N ZINC000514933874 360412231 /nfs/dbraw/zinc/41/22/31/360412231.db2.gz BYKODQTZBCYRHR-UHFFFAOYSA-N 1 2 285.355 1.466 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCn2ccnc2C1 ZINC000130458924 360612235 /nfs/dbraw/zinc/61/22/35/360612235.db2.gz PWROGVRGECLIKC-UHFFFAOYSA-N 1 2 268.320 1.779 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCn2ccnc2C1 ZINC000130458924 360612241 /nfs/dbraw/zinc/61/22/41/360612241.db2.gz PWROGVRGECLIKC-UHFFFAOYSA-N 1 2 268.320 1.779 20 30 CDEDLO COc1ccc(C#N)cc1CN1CCn2cc[nH+]c2C1 ZINC000130458924 360612247 /nfs/dbraw/zinc/61/22/47/360612247.db2.gz PWROGVRGECLIKC-UHFFFAOYSA-N 1 2 268.320 1.779 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338290569 360816253 /nfs/dbraw/zinc/81/62/53/360816253.db2.gz PUZVDPGLOQGSNH-KGLIPLIRSA-N 1 2 296.411 1.195 20 30 CDEDLO C[N@H+](Cc1cc(=O)n2ccccc2n1)CC(C)(C)C#N ZINC000433304164 361230372 /nfs/dbraw/zinc/23/03/72/361230372.db2.gz KEZPHKLWOROXRT-UHFFFAOYSA-N 1 2 270.336 1.676 20 30 CDEDLO C[N@@H+](Cc1cc(=O)n2ccccc2n1)CC(C)(C)C#N ZINC000433304164 361230374 /nfs/dbraw/zinc/23/03/74/361230374.db2.gz KEZPHKLWOROXRT-UHFFFAOYSA-N 1 2 270.336 1.676 20 30 CDEDLO N#Cc1cc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c[nH]1 ZINC000181363752 189295181 /nfs/dbraw/zinc/29/51/81/189295181.db2.gz WQNWHZLWOCEHTF-LBPRGKRZSA-N 1 2 281.319 1.290 20 30 CDEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)NC1(C#N)CCC1)CC2 ZINC000527384860 361385873 /nfs/dbraw/zinc/38/58/73/361385873.db2.gz MWYXGQWXTHWNMN-UHFFFAOYSA-N 1 2 299.374 1.616 20 30 CDEDLO COc1ccc2c(c1)C[N@H+](CC(=O)NC1(C#N)CCC1)CC2 ZINC000527384860 361385874 /nfs/dbraw/zinc/38/58/74/361385874.db2.gz MWYXGQWXTHWNMN-UHFFFAOYSA-N 1 2 299.374 1.616 20 30 CDEDLO C[C@H]1OCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)[C@H]1C ZINC000269064922 366780795 /nfs/dbraw/zinc/78/07/95/366780795.db2.gz VKCKDWLTGWUXGS-QWHCGFSZSA-N 1 2 287.363 1.284 20 30 CDEDLO C[C@H]1OCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)[C@H]1C ZINC000269064922 366780806 /nfs/dbraw/zinc/78/08/06/366780806.db2.gz VKCKDWLTGWUXGS-QWHCGFSZSA-N 1 2 287.363 1.284 20 30 CDEDLO O=C(NC[C@H]1CCCSC1)N1CCn2cc[nH+]c2C1 ZINC000329310371 361475455 /nfs/dbraw/zinc/47/54/55/361475455.db2.gz QVXXODUUHDRSNB-LLVKDONJSA-N 1 2 280.397 1.756 20 30 CDEDLO C#C[C@@H](C)[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000184692511 189392774 /nfs/dbraw/zinc/39/27/74/189392774.db2.gz PDDQLKMOLAICJQ-RDDDGLTNSA-N 1 2 299.143 1.726 20 30 CDEDLO N#Cc1ccc(NCCc2[nH]c3ccccc3[nH+]2)nn1 ZINC000301843257 201227762 /nfs/dbraw/zinc/22/77/62/201227762.db2.gz RDRLSXNDQZBUCO-UHFFFAOYSA-N 1 2 264.292 1.879 20 30 CDEDLO CS[C@H](C)CCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000570686248 363881280 /nfs/dbraw/zinc/88/12/80/363881280.db2.gz BANMSTWJTHVCEV-ZYHUDNBSSA-N 1 2 257.403 1.478 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccco1 ZINC000030277365 363952441 /nfs/dbraw/zinc/95/24/41/363952441.db2.gz DQDPGKGCFZUCOV-SNVBAGLBSA-N 1 2 265.313 1.112 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccco1 ZINC000030277365 363952444 /nfs/dbraw/zinc/95/24/44/363952444.db2.gz DQDPGKGCFZUCOV-SNVBAGLBSA-N 1 2 265.313 1.112 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)nc1 ZINC000581437041 363990860 /nfs/dbraw/zinc/99/08/60/363990860.db2.gz XHSXXWWQJHENOP-LLVKDONJSA-N 1 2 271.242 1.452 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)nc1 ZINC000581437041 363990867 /nfs/dbraw/zinc/99/08/67/363990867.db2.gz XHSXXWWQJHENOP-LLVKDONJSA-N 1 2 271.242 1.452 20 30 CDEDLO N#CCC1(C[N@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)CC1 ZINC000639588523 364181945 /nfs/dbraw/zinc/18/19/45/364181945.db2.gz IROMVQYZTHMXHR-STQMWFEESA-N 1 2 262.353 1.750 20 30 CDEDLO N#CCC1(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)CC1 ZINC000639588523 364181949 /nfs/dbraw/zinc/18/19/49/364181949.db2.gz IROMVQYZTHMXHR-STQMWFEESA-N 1 2 262.353 1.750 20 30 CDEDLO Cc1ccc(C[NH+]2CC(O)(CC#N)C2)c(-c2cnn(C)c2)c1 ZINC000375011627 370779728 /nfs/dbraw/zinc/77/97/28/370779728.db2.gz QONFEXHKCQWNRQ-UHFFFAOYSA-N 1 2 296.374 1.856 20 30 CDEDLO CC#CC[N@H+](C)Cc1csc(-c2cnn(C)c2)n1 ZINC000645262336 364475471 /nfs/dbraw/zinc/47/54/71/364475471.db2.gz WFVOKYZVTRPRGM-UHFFFAOYSA-N 1 2 260.366 1.999 20 30 CDEDLO CC#CC[N@@H+](C)Cc1csc(-c2cnn(C)c2)n1 ZINC000645262336 364475475 /nfs/dbraw/zinc/47/54/75/364475475.db2.gz WFVOKYZVTRPRGM-UHFFFAOYSA-N 1 2 260.366 1.999 20 30 CDEDLO Cc1sc(NC(=O)C[N@H+]2C[C@H](O)C[C@@H]2C)c(C#N)c1C ZINC000340927690 364677272 /nfs/dbraw/zinc/67/72/72/364677272.db2.gz PQGPUDFNQRZFNM-GZMMTYOYSA-N 1 2 293.392 1.630 20 30 CDEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2C)c(C#N)c1C ZINC000340927690 364677274 /nfs/dbraw/zinc/67/72/74/364677274.db2.gz PQGPUDFNQRZFNM-GZMMTYOYSA-N 1 2 293.392 1.630 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)NCCCCC)nn1 ZINC000640903798 364728457 /nfs/dbraw/zinc/72/84/57/364728457.db2.gz PGHQZEMGNDLCLJ-CYBMUJFWSA-N 1 2 291.399 1.258 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2ccccc2C#N)[C@H](C(N)=O)C1 ZINC000187437658 364764960 /nfs/dbraw/zinc/76/49/60/364764960.db2.gz HEOSPEACBODOJW-RISCZKNCSA-N 1 2 257.337 1.644 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)[C@H](C(N)=O)C1 ZINC000187437658 364764963 /nfs/dbraw/zinc/76/49/63/364764963.db2.gz HEOSPEACBODOJW-RISCZKNCSA-N 1 2 257.337 1.644 20 30 CDEDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268686169 365371939 /nfs/dbraw/zinc/37/19/39/365371939.db2.gz NPYQAIJHTGBZMI-HUUCEWRRSA-N 1 2 287.363 1.048 20 30 CDEDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268686169 365371947 /nfs/dbraw/zinc/37/19/47/365371947.db2.gz NPYQAIJHTGBZMI-HUUCEWRRSA-N 1 2 287.363 1.048 20 30 CDEDLO COCC[N@H+](Cc1ccn(C)n1)Cc1ccc(C#N)cc1 ZINC000271065736 366965277 /nfs/dbraw/zinc/96/52/77/366965277.db2.gz JIEKJJAWAVHWEM-UHFFFAOYSA-N 1 2 284.363 1.940 20 30 CDEDLO COCC[N@@H+](Cc1ccn(C)n1)Cc1ccc(C#N)cc1 ZINC000271065736 366965286 /nfs/dbraw/zinc/96/52/86/366965286.db2.gz JIEKJJAWAVHWEM-UHFFFAOYSA-N 1 2 284.363 1.940 20 30 CDEDLO N#CC1(F)CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000505768500 366994862 /nfs/dbraw/zinc/99/48/62/366994862.db2.gz ZFFYRQSUZDHBOG-UHFFFAOYSA-N 1 2 279.319 1.310 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000357789762 367209795 /nfs/dbraw/zinc/20/97/95/367209795.db2.gz FLBAHDOSCKVLAO-HIFRSBDPSA-N 1 2 287.363 1.336 20 30 CDEDLO CC(C)N1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC1=O ZINC000272620998 367784096 /nfs/dbraw/zinc/78/40/96/367784096.db2.gz UTQWRBNEJTWRCU-HNNXBMFYSA-N 1 2 287.363 1.144 20 30 CDEDLO CC(C)N1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC1=O ZINC000272620998 367784101 /nfs/dbraw/zinc/78/41/01/367784101.db2.gz UTQWRBNEJTWRCU-HNNXBMFYSA-N 1 2 287.363 1.144 20 30 CDEDLO COCC#CC[N@@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528596181 367912388 /nfs/dbraw/zinc/91/23/88/367912388.db2.gz UQIYFSMHAOJQPK-UHFFFAOYSA-N 1 2 273.380 1.782 20 30 CDEDLO COCC#CC[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528596181 367912390 /nfs/dbraw/zinc/91/23/90/367912390.db2.gz UQIYFSMHAOJQPK-UHFFFAOYSA-N 1 2 273.380 1.782 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)NC(C)(C)C#N ZINC000540969648 368582047 /nfs/dbraw/zinc/58/20/47/368582047.db2.gz BTCAJKKVSWAAFH-UHFFFAOYSA-N 1 2 256.309 1.763 20 30 CDEDLO CC#CCCCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000545228718 369169560 /nfs/dbraw/zinc/16/95/60/369169560.db2.gz UNZOUOFGBNGSOX-CYBMUJFWSA-N 1 2 252.358 1.017 20 30 CDEDLO CC#CCCCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000545228718 369169563 /nfs/dbraw/zinc/16/95/63/369169563.db2.gz UNZOUOFGBNGSOX-CYBMUJFWSA-N 1 2 252.358 1.017 20 30 CDEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000026194849 369182306 /nfs/dbraw/zinc/18/23/06/369182306.db2.gz ICPXBMHNEBFECX-IUODEOHRSA-N 1 2 287.363 1.996 20 30 CDEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000026194849 369182312 /nfs/dbraw/zinc/18/23/12/369182312.db2.gz ICPXBMHNEBFECX-IUODEOHRSA-N 1 2 287.363 1.996 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CC)c(CC)c2C#N)CC1 ZINC000268122824 370957909 /nfs/dbraw/zinc/95/79/09/370957909.db2.gz CKVODHOUQXDUFO-UHFFFAOYSA-N 1 2 283.379 1.228 20 30 CDEDLO Cn1nc(C2CC2)nc1C[NH+]1CCC(CC#N)CC1 ZINC000564910461 370295628 /nfs/dbraw/zinc/29/56/28/370295628.db2.gz BRXHORSTVJWVQM-UHFFFAOYSA-N 1 2 259.357 1.818 20 30 CDEDLO C=CCOCC[NH2+][C@H](C(=O)OC)[C@H]1CCC[C@@H](OC)C1 ZINC000578016827 372223803 /nfs/dbraw/zinc/22/38/03/372223803.db2.gz MBQMBRXSQCVBON-MJBXVCDLSA-N 1 2 285.384 1.525 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCNC(=O)[C@@H]1c1cccc(C)c1 ZINC000579004338 372550471 /nfs/dbraw/zinc/55/04/71/372550471.db2.gz HNAGDPAARGMVLR-CVEARBPZSA-N 1 2 288.391 1.795 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCNC(=O)[C@@H]1c1cccc(C)c1 ZINC000579004338 372550479 /nfs/dbraw/zinc/55/04/79/372550479.db2.gz HNAGDPAARGMVLR-CVEARBPZSA-N 1 2 288.391 1.795 20 30 CDEDLO CCN(CC)c1ccc(CNC(=O)NC[C@@H](C)C#N)c[nH+]1 ZINC000182491202 372602663 /nfs/dbraw/zinc/60/26/63/372602663.db2.gz OMNVUBRJUSUJBS-LBPRGKRZSA-N 1 2 289.383 1.887 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc2c1CCC2 ZINC000579964613 372655743 /nfs/dbraw/zinc/65/57/43/372655743.db2.gz MQVJLJABKUDGDR-INIZCTEOSA-N 1 2 271.364 1.749 20 30 CDEDLO C[N@@H+](CC(=O)Nc1nncs1)C[C@@H]1CCCCO1 ZINC000048839828 372894864 /nfs/dbraw/zinc/89/48/64/372894864.db2.gz GMWKTXOWHQIBBZ-VIFPVBQESA-N 1 2 270.358 1.627 20 30 CDEDLO C[N@H+](CC(=O)Nc1nncs1)C[C@@H]1CCCCO1 ZINC000048839828 372894870 /nfs/dbraw/zinc/89/48/70/372894870.db2.gz GMWKTXOWHQIBBZ-VIFPVBQESA-N 1 2 270.358 1.627 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1nc2ccccc2c(=O)n1C ZINC000191120294 373450667 /nfs/dbraw/zinc/45/06/67/373450667.db2.gz RUJGTNSYZCTTEH-UHFFFAOYSA-N 1 2 287.363 1.568 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1nc2ccccc2c(=O)n1C ZINC000191120294 373450674 /nfs/dbraw/zinc/45/06/74/373450674.db2.gz RUJGTNSYZCTTEH-UHFFFAOYSA-N 1 2 287.363 1.568 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCN(CCC#N)Cc1ccccn1 ZINC000191532664 373515318 /nfs/dbraw/zinc/51/53/18/373515318.db2.gz KNFGULXHJLZXQS-HNNXBMFYSA-N 1 2 288.395 1.518 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCN(CCC#N)Cc1ccccn1 ZINC000191532664 373515324 /nfs/dbraw/zinc/51/53/24/373515324.db2.gz KNFGULXHJLZXQS-HNNXBMFYSA-N 1 2 288.395 1.518 20 30 CDEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](CO)C2)c(C#N)c1C ZINC000051887497 374025680 /nfs/dbraw/zinc/02/56/80/374025680.db2.gz DAYWSELYWREPBT-LLVKDONJSA-N 1 2 293.392 1.489 20 30 CDEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](CO)C2)c(C#N)c1C ZINC000051887497 374025684 /nfs/dbraw/zinc/02/56/84/374025684.db2.gz DAYWSELYWREPBT-LLVKDONJSA-N 1 2 293.392 1.489 20 30 CDEDLO CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000351263166 374163367 /nfs/dbraw/zinc/16/33/67/374163367.db2.gz ZIALYBWMNGXSNX-SECBINFHSA-N 1 2 274.328 1.258 20 30 CDEDLO CN1CCO[C@H]2C[N@H+](Cc3cccc(C#N)c3F)C[C@@H]21 ZINC000351994018 374292871 /nfs/dbraw/zinc/29/28/71/374292871.db2.gz JJSUALMMIOJUDR-KBPBESRZSA-N 1 2 275.327 1.212 20 30 CDEDLO CN1CCO[C@H]2C[N@@H+](Cc3cccc(C#N)c3F)C[C@@H]21 ZINC000351994018 374292876 /nfs/dbraw/zinc/29/28/76/374292876.db2.gz JJSUALMMIOJUDR-KBPBESRZSA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3cccc(C#N)c3F)C[C@@H]21 ZINC000351994018 374292883 /nfs/dbraw/zinc/29/28/83/374292883.db2.gz JJSUALMMIOJUDR-KBPBESRZSA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3cccc(C#N)c3F)C[C@@H]21 ZINC000351994018 374292893 /nfs/dbraw/zinc/29/28/93/374292893.db2.gz JJSUALMMIOJUDR-KBPBESRZSA-N 1 2 275.327 1.212 20 30 CDEDLO CO[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000115541569 374414938 /nfs/dbraw/zinc/41/49/38/374414938.db2.gz JODANZHUDLYMAB-KGLIPLIRSA-N 1 2 273.336 1.195 20 30 CDEDLO CO[C@@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000115541569 374414941 /nfs/dbraw/zinc/41/49/41/374414941.db2.gz JODANZHUDLYMAB-KGLIPLIRSA-N 1 2 273.336 1.195 20 30 CDEDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(C#N)s1)CCO2 ZINC000279646710 374940780 /nfs/dbraw/zinc/94/07/80/374940780.db2.gz JWZNPUOVHUPHTK-BXUZGUMPSA-N 1 2 278.377 2.000 20 30 CDEDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(C#N)s1)CCO2 ZINC000279646710 374940789 /nfs/dbraw/zinc/94/07/89/374940789.db2.gz JWZNPUOVHUPHTK-BXUZGUMPSA-N 1 2 278.377 2.000 20 30 CDEDLO C[C@@H]1C[NH+](CCOc2ccccc2C#N)C[C@@H](C)S1=O ZINC000331187327 374904781 /nfs/dbraw/zinc/90/47/81/374904781.db2.gz VDDDYRRHWZCVOL-CHWSQXEVSA-N 1 2 292.404 1.778 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCOC[C@H](C)C1 ZINC000332288213 375023710 /nfs/dbraw/zinc/02/37/10/375023710.db2.gz FLXIDOLCLUYXBQ-OLZOCXBDSA-N 1 2 287.363 1.854 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCOC[C@H](C)C1 ZINC000332288213 375023716 /nfs/dbraw/zinc/02/37/16/375023716.db2.gz FLXIDOLCLUYXBQ-OLZOCXBDSA-N 1 2 287.363 1.854 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000282234504 375074327 /nfs/dbraw/zinc/07/43/27/375074327.db2.gz ISCATICVZXLJOW-OAHLLOKOSA-N 1 2 292.310 1.654 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000282234504 375074331 /nfs/dbraw/zinc/07/43/31/375074331.db2.gz ISCATICVZXLJOW-OAHLLOKOSA-N 1 2 292.310 1.654 20 30 CDEDLO C=CCN(CC(=O)OCC)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000127143613 375044626 /nfs/dbraw/zinc/04/46/26/375044626.db2.gz NKAFIELGYMNGHU-LBPRGKRZSA-N 1 2 291.351 1.023 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000493473078 375457102 /nfs/dbraw/zinc/45/71/02/375457102.db2.gz JNJIMQFDMORJLM-OCCSQVGLSA-N 1 2 289.310 1.628 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000493473078 375457106 /nfs/dbraw/zinc/45/71/06/375457106.db2.gz JNJIMQFDMORJLM-OCCSQVGLSA-N 1 2 289.310 1.628 20 30 CDEDLO N#CC1(CN2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000343241546 375814211 /nfs/dbraw/zinc/81/42/11/375814211.db2.gz YZXKPFARKKWTHW-UHFFFAOYSA-N 1 2 256.353 1.503 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1CCCOC1)CCC2 ZINC000328638773 375903720 /nfs/dbraw/zinc/90/37/20/375903720.db2.gz BSMVEOKHHMGUSB-STQMWFEESA-N 1 2 292.383 1.752 20 30 CDEDLO Cc1cncc(CNC(=O)N2CCn3cc[nH+]c3C2)c1 ZINC000328829917 375976847 /nfs/dbraw/zinc/97/68/47/375976847.db2.gz JNJZOZNYLKCARQ-UHFFFAOYSA-N 1 2 271.324 1.516 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC000328865415 375991761 /nfs/dbraw/zinc/99/17/61/375991761.db2.gz BSFCHIIKYWBYAK-RYUDHWBXSA-N 1 2 288.413 1.252 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC000328865415 375991767 /nfs/dbraw/zinc/99/17/67/375991767.db2.gz BSFCHIIKYWBYAK-RYUDHWBXSA-N 1 2 288.413 1.252 20 30 CDEDLO CN1CCOC[C@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000328946633 376017903 /nfs/dbraw/zinc/01/79/03/376017903.db2.gz KAKLUXPZKUZOKK-ZDUSSCGKSA-N 1 2 292.383 1.049 20 30 CDEDLO C[C@H]1C[NH+](CCN(C)C(=O)c2ccc(C#N)[nH]2)C[C@H](C)O1 ZINC000345398084 376030494 /nfs/dbraw/zinc/03/04/94/376030494.db2.gz XTDPCHDSSPRBFQ-RYUDHWBXSA-N 1 2 290.367 1.068 20 30 CDEDLO N#CC1(CNC(=O)NCCCNc2cccc[nH+]2)CCC1 ZINC000419443476 376138326 /nfs/dbraw/zinc/13/83/26/376138326.db2.gz SDSHJMDLJIYLOM-UHFFFAOYSA-N 1 2 287.367 1.877 20 30 CDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]1CO ZINC000263687461 190073655 /nfs/dbraw/zinc/07/36/55/190073655.db2.gz JJCADHCHIOLPDZ-GFCCVEGCSA-N 1 2 293.754 1.607 20 30 CDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1CO ZINC000263687461 190073656 /nfs/dbraw/zinc/07/36/56/190073656.db2.gz JJCADHCHIOLPDZ-GFCCVEGCSA-N 1 2 293.754 1.607 20 30 CDEDLO Cc1cc(C)c(C#N)c(N2CCN(Cc3[nH]cc[nH+]3)CC2)n1 ZINC000354612346 376847562 /nfs/dbraw/zinc/84/75/62/376847562.db2.gz OBBGBDHZRLAHJH-UHFFFAOYSA-N 1 2 296.378 1.615 20 30 CDEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](O)C2)c(C#N)c1C ZINC000265269226 190170680 /nfs/dbraw/zinc/17/06/80/190170680.db2.gz WSISDWUSHBXONZ-KOLCDFICSA-N 1 2 277.324 1.162 20 30 CDEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](O)C2)c(C#N)c1C ZINC000265269226 190170681 /nfs/dbraw/zinc/17/06/81/190170681.db2.gz WSISDWUSHBXONZ-KOLCDFICSA-N 1 2 277.324 1.162 20 30 CDEDLO CC[C@@](C)([NH2+]CCOc1cccc(C#N)c1)C(=O)OC ZINC000265423247 190180427 /nfs/dbraw/zinc/18/04/27/190180427.db2.gz JWXOOVVAUGYFQV-OAHLLOKOSA-N 1 2 276.336 1.868 20 30 CDEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000265608343 190193117 /nfs/dbraw/zinc/19/31/17/190193117.db2.gz KUHQCUSRAZOOQF-IZDJOXEWSA-N 1 2 292.404 1.778 20 30 CDEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000265608343 190193118 /nfs/dbraw/zinc/19/31/18/190193118.db2.gz KUHQCUSRAZOOQF-IZDJOXEWSA-N 1 2 292.404 1.778 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000192224997 378176397 /nfs/dbraw/zinc/17/63/97/378176397.db2.gz LGABSRQXOXFBPA-GFCCVEGCSA-N 1 2 288.347 1.740 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000192224997 378176401 /nfs/dbraw/zinc/17/64/01/378176401.db2.gz LGABSRQXOXFBPA-GFCCVEGCSA-N 1 2 288.347 1.740 20 30 CDEDLO CC#CC[NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000135262848 378180561 /nfs/dbraw/zinc/18/05/61/378180561.db2.gz RXHBJXKWQXEQCL-AWEZNQCLSA-N 1 2 260.312 1.758 20 30 CDEDLO Cn1cc[nH+]c1CN1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000563859972 378358589 /nfs/dbraw/zinc/35/85/89/378358589.db2.gz POXXGZBWYJLMEG-UKRRQHHQSA-N 1 2 274.368 1.847 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cnc(CCC)s2)CC1 ZINC000266095318 190229690 /nfs/dbraw/zinc/22/96/90/190229690.db2.gz JNYPQNBWEKKBDN-UHFFFAOYSA-N 1 2 291.420 1.877 20 30 CDEDLO CC#CC[N@H+](C)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000293090742 378535691 /nfs/dbraw/zinc/53/56/91/378535691.db2.gz KHKDJSGIQWXBGR-CYBMUJFWSA-N 1 2 256.349 1.919 20 30 CDEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000293090742 378535700 /nfs/dbraw/zinc/53/57/00/378535700.db2.gz KHKDJSGIQWXBGR-CYBMUJFWSA-N 1 2 256.349 1.919 20 30 CDEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066560371 378680442 /nfs/dbraw/zinc/68/04/42/378680442.db2.gz ALDVBZDWWRLSBP-OAHLLOKOSA-N 1 2 290.388 1.733 20 30 CDEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066560371 378680449 /nfs/dbraw/zinc/68/04/49/378680449.db2.gz ALDVBZDWWRLSBP-OAHLLOKOSA-N 1 2 290.388 1.733 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2C(C)C)CC1 ZINC000296106074 378719014 /nfs/dbraw/zinc/71/90/14/378719014.db2.gz VLZDUURAGCUVNH-UHFFFAOYSA-N 1 2 287.411 1.882 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343545557 378905615 /nfs/dbraw/zinc/90/56/15/378905615.db2.gz YRWWFVHDLMWLDB-GJZGRUSLSA-N 1 2 288.347 1.515 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000343545557 378905618 /nfs/dbraw/zinc/90/56/18/378905618.db2.gz YRWWFVHDLMWLDB-GJZGRUSLSA-N 1 2 288.347 1.515 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc3cc(C)ccn23)C1=O ZINC000343612878 378927479 /nfs/dbraw/zinc/92/74/79/378927479.db2.gz IGBBQOBZVUQEOL-HNNXBMFYSA-N 1 2 298.390 1.861 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc3cc(C)ccn23)C1=O ZINC000343612878 378927481 /nfs/dbraw/zinc/92/74/81/378927481.db2.gz IGBBQOBZVUQEOL-HNNXBMFYSA-N 1 2 298.390 1.861 20 30 CDEDLO N#CCCC[N@H+]1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000343911772 379018469 /nfs/dbraw/zinc/01/84/69/379018469.db2.gz RVBBVDSMSPZMTM-AWEZNQCLSA-N 1 2 257.337 1.333 20 30 CDEDLO N#CCCC[N@@H+]1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000343911772 379018473 /nfs/dbraw/zinc/01/84/73/379018473.db2.gz RVBBVDSMSPZMTM-AWEZNQCLSA-N 1 2 257.337 1.333 20 30 CDEDLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000042312969 379564022 /nfs/dbraw/zinc/56/40/22/379564022.db2.gz JEGVGZXCSULPSB-DOMZBBRYSA-N 1 2 287.363 1.996 20 30 CDEDLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000042312969 379564027 /nfs/dbraw/zinc/56/40/27/379564027.db2.gz JEGVGZXCSULPSB-DOMZBBRYSA-N 1 2 287.363 1.996 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000266959828 190293937 /nfs/dbraw/zinc/29/39/37/190293937.db2.gz WRGKTTVLBZJMHI-UHFFFAOYSA-N 1 2 291.307 1.497 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000266959828 190293938 /nfs/dbraw/zinc/29/39/38/190293938.db2.gz WRGKTTVLBZJMHI-UHFFFAOYSA-N 1 2 291.307 1.497 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1nc(-c2ccc(OCC)cc2)no1 ZINC000662167426 412916187 /nfs/dbraw/zinc/91/61/87/412916187.db2.gz DPEKRVKXDRJXOC-GFCCVEGCSA-N 1 2 289.335 1.772 20 30 CDEDLO Cn1cc(N2CC[NH+](Cc3cc(C#N)ccc3F)CC2)cn1 ZINC000174941149 379613487 /nfs/dbraw/zinc/61/34/87/379613487.db2.gz VFVQNEGQGFRGMZ-UHFFFAOYSA-N 1 2 299.353 1.753 20 30 CDEDLO C=CCN(CCOC)C(=O)NCCCCn1cc[nH+]c1 ZINC000574737961 335043544 /nfs/dbraw/zinc/04/35/44/335043544.db2.gz UNDZFCSPFCMXFT-UHFFFAOYSA-N 1 2 280.372 1.507 20 30 CDEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H]3COCCO3)CCO2)c1 ZINC000450652192 251390363 /nfs/dbraw/zinc/39/03/63/251390363.db2.gz UOUIMYBJFDHART-CVEARBPZSA-N 1 2 288.347 1.347 20 30 CDEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H]3COCCO3)CCO2)c1 ZINC000450652192 251390368 /nfs/dbraw/zinc/39/03/68/251390368.db2.gz UOUIMYBJFDHART-CVEARBPZSA-N 1 2 288.347 1.347 20 30 CDEDLO C#C[C@@H](Nc1[nH+]cnc2c1cnn2-c1ncccn1)C(C)C ZINC000281078070 195095319 /nfs/dbraw/zinc/09/53/19/195095319.db2.gz UERISHTZBRNLEZ-GFCCVEGCSA-N 1 2 293.334 1.675 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2nc3ccccc3n2C)C1=O ZINC000281127923 195113525 /nfs/dbraw/zinc/11/35/25/195113525.db2.gz CQNGSUBVVJTGFV-OAHLLOKOSA-N 1 2 298.390 1.792 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2nc3ccccc3n2C)C1=O ZINC000281127923 195113527 /nfs/dbraw/zinc/11/35/27/195113527.db2.gz CQNGSUBVVJTGFV-OAHLLOKOSA-N 1 2 298.390 1.792 20 30 CDEDLO CN(Cc1cccc(C#N)c1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492762175 253289414 /nfs/dbraw/zinc/28/94/14/253289414.db2.gz HHPYAPFVTODPQP-WAYWQWQTSA-N 1 2 266.304 1.953 20 30 CDEDLO C#C[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C(C)C ZINC000281220522 195155037 /nfs/dbraw/zinc/15/50/37/195155037.db2.gz DITGOIQTQZZRCH-KGLIPLIRSA-N 1 2 286.379 1.617 20 30 CDEDLO C=CCC[NH+]1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000660292554 413041904 /nfs/dbraw/zinc/04/19/04/413041904.db2.gz ANAWBLRXKDMNME-UHFFFAOYSA-N 1 2 292.404 1.639 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000448917426 390905192 /nfs/dbraw/zinc/90/51/92/390905192.db2.gz KDEKVDXOTCGLPG-ZYHUDNBSSA-N 1 2 290.367 1.034 20 30 CDEDLO C[C@@H](c1ccccc1)[C@@H]([NH2+]CC1(C#N)CC1)C(N)=O ZINC000428833519 390914085 /nfs/dbraw/zinc/91/40/85/390914085.db2.gz IYUDTTBVHUWAAO-WCQYABFASA-N 1 2 257.337 1.537 20 30 CDEDLO N#Cc1ccnc(N2CC[C@@H]([NH+]3CCOCC3)C2)c1Cl ZINC000236029514 390959390 /nfs/dbraw/zinc/95/93/90/390959390.db2.gz PKCARKFSPWWUAT-GFCCVEGCSA-N 1 2 292.770 1.518 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cccnc1C1CC1 ZINC000329579956 391020165 /nfs/dbraw/zinc/02/01/65/391020165.db2.gz ULGBSVNAYYHJOS-LBPRGKRZSA-N 1 2 289.379 1.984 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cccnc1C1CC1 ZINC000329579956 391020170 /nfs/dbraw/zinc/02/01/70/391020170.db2.gz ULGBSVNAYYHJOS-LBPRGKRZSA-N 1 2 289.379 1.984 20 30 CDEDLO [O-]C(=[NH+]C[C@H]1Cc2ccccc2O1)N1CCn2c[nH+]cc2C1 ZINC000329626833 391044053 /nfs/dbraw/zinc/04/40/53/391044053.db2.gz UCHYYZIIASBDMJ-CQSZACIVSA-N 1 2 298.346 1.616 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCCOCc1ccccc1 ZINC000491393959 391106959 /nfs/dbraw/zinc/10/69/59/391106959.db2.gz KCFHWMXSZJZDNB-INIZCTEOSA-N 1 2 259.349 1.927 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCCOCc1ccccc1 ZINC000491393959 391106962 /nfs/dbraw/zinc/10/69/62/391106962.db2.gz KCFHWMXSZJZDNB-INIZCTEOSA-N 1 2 259.349 1.927 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)c1ccc2[nH+]ccn2c1 ZINC000336324178 391124875 /nfs/dbraw/zinc/12/48/75/391124875.db2.gz VNIFPWRHOZIHKM-UHFFFAOYSA-N 1 2 256.309 1.956 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000186229194 391217847 /nfs/dbraw/zinc/21/78/47/391217847.db2.gz PDYFSPKVYYPWQT-LBPRGKRZSA-N 1 2 280.393 1.732 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000186229194 391217850 /nfs/dbraw/zinc/21/78/50/391217850.db2.gz PDYFSPKVYYPWQT-LBPRGKRZSA-N 1 2 280.393 1.732 20 30 CDEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@H](CO)C1 ZINC000268947631 391229480 /nfs/dbraw/zinc/22/94/80/391229480.db2.gz DKYLOJHCVBOOOS-AWEZNQCLSA-N 1 2 274.364 1.681 20 30 CDEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@H](CO)C1 ZINC000268947631 391229483 /nfs/dbraw/zinc/22/94/83/391229483.db2.gz DKYLOJHCVBOOOS-AWEZNQCLSA-N 1 2 274.364 1.681 20 30 CDEDLO N#CC1(NC(=O)CCn2cc[nH+]c2)CCSCC1 ZINC000339482866 391306581 /nfs/dbraw/zinc/30/65/81/391306581.db2.gz JXKLSOCJOIWPTL-UHFFFAOYSA-N 1 2 264.354 1.179 20 30 CDEDLO COCCc1noc(C[N@H+](C)CCC(C)(C)C#N)n1 ZINC000345716562 391308131 /nfs/dbraw/zinc/30/81/31/391308131.db2.gz SYXYHCXYGCCALA-UHFFFAOYSA-N 1 2 266.345 1.630 20 30 CDEDLO COCCc1noc(C[N@@H+](C)CCC(C)(C)C#N)n1 ZINC000345716562 391308135 /nfs/dbraw/zinc/30/81/35/391308135.db2.gz SYXYHCXYGCCALA-UHFFFAOYSA-N 1 2 266.345 1.630 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000345823680 391318534 /nfs/dbraw/zinc/31/85/34/391318534.db2.gz XUYJBAVSBMHWIU-GRYCIOLGSA-N 1 2 265.357 1.047 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000345823680 391318536 /nfs/dbraw/zinc/31/85/36/391318536.db2.gz XUYJBAVSBMHWIU-GRYCIOLGSA-N 1 2 265.357 1.047 20 30 CDEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C[C@@H](C)O1 ZINC000346286464 391344067 /nfs/dbraw/zinc/34/40/67/391344067.db2.gz VAGPIYBLNNWEHC-FRRDWIJNSA-N 1 2 279.384 1.437 20 30 CDEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C[C@@H](C)O1 ZINC000346286464 391344069 /nfs/dbraw/zinc/34/40/69/391344069.db2.gz VAGPIYBLNNWEHC-FRRDWIJNSA-N 1 2 279.384 1.437 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccccc1C(=O)OCC ZINC000339751930 391345799 /nfs/dbraw/zinc/34/57/99/391345799.db2.gz CIXQAXNNIDZTQG-UHFFFAOYSA-N 1 2 288.347 1.757 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1ccccc1C(=O)OCC ZINC000339751930 391345803 /nfs/dbraw/zinc/34/58/03/391345803.db2.gz CIXQAXNNIDZTQG-UHFFFAOYSA-N 1 2 288.347 1.757 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000346259611 391345971 /nfs/dbraw/zinc/34/59/71/391345971.db2.gz WXNIBVTZOMLAQB-LBPRGKRZSA-N 1 2 267.373 1.105 20 30 CDEDLO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)NC2(C#N)CCC2)n1 ZINC000346443626 391356052 /nfs/dbraw/zinc/35/60/52/391356052.db2.gz XMZDUUXYPUXWIN-CYBMUJFWSA-N 1 2 286.379 1.773 20 30 CDEDLO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)NC2(C#N)CCC2)n1 ZINC000346443626 391356055 /nfs/dbraw/zinc/35/60/55/391356055.db2.gz XMZDUUXYPUXWIN-CYBMUJFWSA-N 1 2 286.379 1.773 20 30 CDEDLO Cc1ccc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)cc1F ZINC000330453052 391423807 /nfs/dbraw/zinc/42/38/07/391423807.db2.gz LAOSSMKWKLHWNY-CYBMUJFWSA-N 1 2 296.342 1.132 20 30 CDEDLO Cc1cc(C)cc(C(=O)N[C@H](CO)C[NH+]2CCOCC2)c1 ZINC000330454063 391424565 /nfs/dbraw/zinc/42/45/65/391424565.db2.gz LWSCBTJKGDSBRV-HNNXBMFYSA-N 1 2 292.379 1.301 20 30 CDEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc(C#N)cc1 ZINC000191077910 391445753 /nfs/dbraw/zinc/44/57/53/391445753.db2.gz PXJPASJBCUKFAP-UHFFFAOYSA-N 1 2 273.336 1.631 20 30 CDEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc(C#N)cc1 ZINC000191077910 391445754 /nfs/dbraw/zinc/44/57/54/391445754.db2.gz PXJPASJBCUKFAP-UHFFFAOYSA-N 1 2 273.336 1.631 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](C)OC[C@H]1CC ZINC000355282435 391446972 /nfs/dbraw/zinc/44/69/72/391446972.db2.gz ROZOVCZFUKMCTQ-UONOGXRCSA-N 1 2 268.401 1.910 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](C)OC[C@H]1CC ZINC000355282435 391446976 /nfs/dbraw/zinc/44/69/76/391446976.db2.gz ROZOVCZFUKMCTQ-UONOGXRCSA-N 1 2 268.401 1.910 20 30 CDEDLO COc1ccsc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330644777 391454210 /nfs/dbraw/zinc/45/42/10/391454210.db2.gz FOBYJUGXAVQEBI-JTQLQIEISA-N 1 2 284.381 1.782 20 30 CDEDLO COc1ccsc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330644777 391454211 /nfs/dbraw/zinc/45/42/11/391454211.db2.gz FOBYJUGXAVQEBI-JTQLQIEISA-N 1 2 284.381 1.782 20 30 CDEDLO COc1ccc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc1F ZINC000330618744 391460016 /nfs/dbraw/zinc/46/00/16/391460016.db2.gz HSWYXRLBQTVZOV-NSHDSACASA-N 1 2 296.342 1.860 20 30 CDEDLO COc1ccc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cc1F ZINC000330618744 391460018 /nfs/dbraw/zinc/46/00/18/391460018.db2.gz HSWYXRLBQTVZOV-NSHDSACASA-N 1 2 296.342 1.860 20 30 CDEDLO Cc1cc[nH+]cc1CCCN1CCN(C2CC2)[C@@H](C#N)C1 ZINC000367356739 391614705 /nfs/dbraw/zinc/61/47/05/391614705.db2.gz PQIMJXJPNXWOPW-KRWDZBQOSA-N 1 2 284.407 1.995 20 30 CDEDLO C=C(CNC(=O)[C@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000360226056 391648022 /nfs/dbraw/zinc/64/80/22/391648022.db2.gz NSSUSSKTNATKJA-AWEZNQCLSA-N 1 2 274.364 1.537 20 30 CDEDLO C[C@@]([NH2+]CC1(C#N)CC1)(C(N)=O)c1cccc(Cl)c1 ZINC000343302066 391675792 /nfs/dbraw/zinc/67/57/92/391675792.db2.gz LIWLPKBMFOULRO-ZDUSSCGKSA-N 1 2 277.755 1.934 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@H]1CCc2ccccc2C1)C(=O)OC ZINC000361114787 391683814 /nfs/dbraw/zinc/68/38/14/391683814.db2.gz UROBIVYHGNEMGK-JKSUJKDBSA-N 1 2 289.375 1.878 20 30 CDEDLO C=CCCN(C)c1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000413253684 391729208 /nfs/dbraw/zinc/72/92/08/391729208.db2.gz ABTYHRBAYPQCTM-QWHCGFSZSA-N 1 2 276.384 1.696 20 30 CDEDLO C=CCCN(C)c1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413253684 391729212 /nfs/dbraw/zinc/72/92/12/391729212.db2.gz ABTYHRBAYPQCTM-QWHCGFSZSA-N 1 2 276.384 1.696 20 30 CDEDLO CCc1csc(NC(=O)N2CCn3c[nH+]cc3C2)n1 ZINC000329778592 391776672 /nfs/dbraw/zinc/77/66/72/391776672.db2.gz LFHASXYZCGCPGE-UHFFFAOYSA-N 1 2 277.353 1.963 20 30 CDEDLO Cn1cc[nH+]c1CNc1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000342062775 130229545 /nfs/dbraw/zinc/22/95/45/130229545.db2.gz NINRLPJRVYYOQS-UHFFFAOYSA-N 1 2 272.268 1.394 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1CCCS1 ZINC000329841103 391787841 /nfs/dbraw/zinc/78/78/41/391787841.db2.gz WPKYUEPKGSTXDD-MNOVXSKESA-N 1 2 268.386 1.671 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])NC[C@@H]1CCCS1 ZINC000329841103 391787844 /nfs/dbraw/zinc/78/78/44/391787844.db2.gz WPKYUEPKGSTXDD-MNOVXSKESA-N 1 2 268.386 1.671 20 30 CDEDLO CC[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)C1CCOCC1 ZINC000329948802 391804512 /nfs/dbraw/zinc/80/45/12/391804512.db2.gz KZNXMYIZDJUQNE-KGLIPLIRSA-N 1 2 299.415 1.026 20 30 CDEDLO CC[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C1CCOCC1 ZINC000329948802 391804513 /nfs/dbraw/zinc/80/45/13/391804513.db2.gz KZNXMYIZDJUQNE-KGLIPLIRSA-N 1 2 299.415 1.026 20 30 CDEDLO Cc1ncoc1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000329955601 391806266 /nfs/dbraw/zinc/80/62/66/391806266.db2.gz KUNRWGJBGCCTDT-UHFFFAOYSA-N 1 2 267.329 1.398 20 30 CDEDLO Cc1ncoc1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000329955601 391806269 /nfs/dbraw/zinc/80/62/69/391806269.db2.gz KUNRWGJBGCCTDT-UHFFFAOYSA-N 1 2 267.329 1.398 20 30 CDEDLO N#CCCN(Cc1ccco1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000372170372 391840090 /nfs/dbraw/zinc/84/00/90/391840090.db2.gz RHNIXSCFWZULQI-CYBMUJFWSA-N 1 2 298.346 1.981 20 30 CDEDLO C#CCN(CC#C)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372448359 391853272 /nfs/dbraw/zinc/85/32/72/391853272.db2.gz XQLHWXYSHNKJTO-ZDUSSCGKSA-N 1 2 283.375 1.733 20 30 CDEDLO C#CCN(CC#C)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372448359 391853274 /nfs/dbraw/zinc/85/32/74/391853274.db2.gz XQLHWXYSHNKJTO-ZDUSSCGKSA-N 1 2 283.375 1.733 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000342989967 392073308 /nfs/dbraw/zinc/07/33/08/392073308.db2.gz IUIVPEJFZNEZHU-KGLIPLIRSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000342989967 392073316 /nfs/dbraw/zinc/07/33/16/392073316.db2.gz IUIVPEJFZNEZHU-KGLIPLIRSA-N 1 2 283.416 1.751 20 30 CDEDLO CCCCNc1cc(NCC2(CC#N)CC2)nc(N)[nH+]1 ZINC000343047865 392078482 /nfs/dbraw/zinc/07/84/82/392078482.db2.gz ZBXPINRAVMMVNZ-UHFFFAOYSA-N 1 2 274.372 1.629 20 30 CDEDLO CCCCNc1cc(NCC2(CC#N)CC2)[nH+]c(N)n1 ZINC000343047865 392078489 /nfs/dbraw/zinc/07/84/89/392078489.db2.gz ZBXPINRAVMMVNZ-UHFFFAOYSA-N 1 2 274.372 1.629 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000247940860 131107480 /nfs/dbraw/zinc/10/74/80/131107480.db2.gz GJSGNGBDYNGFFS-QWHCGFSZSA-N 1 2 252.358 1.296 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000247940860 131107482 /nfs/dbraw/zinc/10/74/82/131107482.db2.gz GJSGNGBDYNGFFS-QWHCGFSZSA-N 1 2 252.358 1.296 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(C#N)cc2C)CC1 ZINC000490761983 392538934 /nfs/dbraw/zinc/53/89/34/392538934.db2.gz YVDVMOSCMVSYOP-UHFFFAOYSA-N 1 2 297.358 1.023 20 30 CDEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccncc3)CC2)c1C#N ZINC000527315321 392978191 /nfs/dbraw/zinc/97/81/91/392978191.db2.gz MXEWFSCJQGAPTR-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO Cc1cc(NC[C@@H](C)Cn2cc[nH+]c2)c(C#N)cn1 ZINC000425210621 392994446 /nfs/dbraw/zinc/99/44/46/392994446.db2.gz UYDKGONICJVPBI-LLVKDONJSA-N 1 2 255.325 1.628 20 30 CDEDLO Cc1cc(NCC2(C(=O)N(C)C)CCCC2)c(C#N)c[nH+]1 ZINC000425220990 392996085 /nfs/dbraw/zinc/99/60/85/392996085.db2.gz DJPXJMHHVYPMBI-UHFFFAOYSA-N 1 2 286.379 1.744 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000375942959 393066218 /nfs/dbraw/zinc/06/62/18/393066218.db2.gz RXWNVZMIJZKTQH-YUNKPMOVSA-N 1 2 292.404 1.910 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000375942959 393066221 /nfs/dbraw/zinc/06/62/21/393066221.db2.gz RXWNVZMIJZKTQH-YUNKPMOVSA-N 1 2 292.404 1.910 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000448897153 393127479 /nfs/dbraw/zinc/12/74/79/393127479.db2.gz PPQLRMSQNCGLMP-UHFFFAOYSA-N 1 2 290.367 1.035 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000448897153 393127484 /nfs/dbraw/zinc/12/74/84/393127484.db2.gz PPQLRMSQNCGLMP-UHFFFAOYSA-N 1 2 290.367 1.035 20 30 CDEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@](C)(C#N)CCOC ZINC000493010560 397717007 /nfs/dbraw/zinc/71/70/07/397717007.db2.gz YMLGELWERXAJGL-GEXIGZQTSA-N 1 2 276.340 1.351 20 30 CDEDLO Cc1cccnc1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115599575 147264955 /nfs/dbraw/zinc/26/49/55/147264955.db2.gz GNMKTFBYQCVMGS-OAHLLOKOSA-N 1 2 280.331 1.578 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)NCc1ccc(C#N)cc1 ZINC000346439735 153188099 /nfs/dbraw/zinc/18/80/99/153188099.db2.gz SGWHHSNKTJZHHU-UHFFFAOYSA-N 1 2 254.293 1.449 20 30 CDEDLO Cc1[nH]c[nH+]c1CC(=O)NCc1ccc(C#N)cc1 ZINC000346439735 153188101 /nfs/dbraw/zinc/18/81/01/153188101.db2.gz SGWHHSNKTJZHHU-UHFFFAOYSA-N 1 2 254.293 1.449 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000375573972 160393463 /nfs/dbraw/zinc/39/34/63/160393463.db2.gz ZDAKLZBOGDFQHE-OAHLLOKOSA-N 1 2 289.310 1.772 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000375573972 160393464 /nfs/dbraw/zinc/39/34/64/160393464.db2.gz ZDAKLZBOGDFQHE-OAHLLOKOSA-N 1 2 289.310 1.772 20 30 CDEDLO Cc1cccc2[nH+]c(CNC(=O)c3cnn(C)c3C#N)cn21 ZINC000355826544 157256086 /nfs/dbraw/zinc/25/60/86/157256086.db2.gz FMPWONYCSNTJFV-UHFFFAOYSA-N 1 2 294.318 1.178 20 30 CDEDLO Cn1cc([C@H](CO)[NH2+]Cc2ccc(F)cc2C#N)cn1 ZINC000358790546 158027581 /nfs/dbraw/zinc/02/75/81/158027581.db2.gz LPNBIZGVDGWEMR-AWEZNQCLSA-N 1 2 274.299 1.254 20 30 CDEDLO N#Cc1ccncc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000362717044 159221759 /nfs/dbraw/zinc/22/17/59/159221759.db2.gz SVBHRBMFBBTQNY-GFCCVEGCSA-N 1 2 281.319 1.696 20 30 CDEDLO COCCN1CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000362958316 159277560 /nfs/dbraw/zinc/27/75/60/159277560.db2.gz OXQKNPRPTNLVOH-UHFFFAOYSA-N 1 2 273.380 1.631 20 30 CDEDLO O=[N+]([O-])c1ccc(C=C(O)NC2=[NH+]CCS2)cc1 ZINC000005673352 170126691 /nfs/dbraw/zinc/12/66/91/170126691.db2.gz RPAPLXVOPYUBPI-UHFFFAOYSA-N 1 2 265.294 1.356 20 30 CDEDLO COCC[NH+]1CCN(C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000285409092 196276544 /nfs/dbraw/zinc/27/65/44/196276544.db2.gz CZWFOEGQJFTBSH-UHFFFAOYSA-N 1 2 291.326 1.102 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000664958288 413760440 /nfs/dbraw/zinc/76/04/40/413760440.db2.gz YIVVRHXAEHHGKR-ZIAGYGMSSA-N 1 2 297.443 1.997 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000664958288 413760449 /nfs/dbraw/zinc/76/04/49/413760449.db2.gz YIVVRHXAEHHGKR-ZIAGYGMSSA-N 1 2 297.443 1.997 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2ccnc(OC)c2)nn1 ZINC000657303563 414142108 /nfs/dbraw/zinc/14/21/08/414142108.db2.gz CJHACIHDDLJDOD-UHFFFAOYSA-N 1 2 273.340 1.548 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H](CC(N)=O)c2ccccc2)nn1 ZINC000657474615 414374084 /nfs/dbraw/zinc/37/40/84/414374084.db2.gz PMEPVCHMWYAROJ-HNNXBMFYSA-N 1 2 299.378 1.561 20 30 CDEDLO Cn1cc[nH+]c1CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000071140352 176038279 /nfs/dbraw/zinc/03/82/79/176038279.db2.gz JXBOTZHRTLXQOO-UHFFFAOYSA-N 1 2 257.253 1.812 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000076185648 176949523 /nfs/dbraw/zinc/94/95/23/176949523.db2.gz CBGKRHHNYDPHKW-UHFFFAOYSA-N 1 2 294.807 1.928 20 30 CDEDLO COc1cnc(NC(=O)N2CCn3c[nH+]cc3C2)s1 ZINC000329500279 225254365 /nfs/dbraw/zinc/25/43/65/225254365.db2.gz HGAZXEBJNNKSOB-UHFFFAOYSA-N 1 2 279.325 1.410 20 30 CDEDLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000335464456 300082075 /nfs/dbraw/zinc/08/20/75/300082075.db2.gz IRFOWGBJXAMDQR-KPZWWZAWSA-N 1 2 262.378 1.901 20 30 CDEDLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000335464456 300082077 /nfs/dbraw/zinc/08/20/77/300082077.db2.gz IRFOWGBJXAMDQR-KPZWWZAWSA-N 1 2 262.378 1.901 20 30 CDEDLO O=C(NCc1[nH]cc[nH+]1)C1(N2CCOCC2)CCC1 ZINC000329113777 227306103 /nfs/dbraw/zinc/30/61/03/227306103.db2.gz SBIVQXUCAHHRRS-UHFFFAOYSA-N 1 2 264.329 1.121 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)NCCC1(O)CCC1 ZINC000329122820 227312577 /nfs/dbraw/zinc/31/25/77/227312577.db2.gz RIVZDJQNWCWYIR-UHFFFAOYSA-N 1 2 251.330 1.614 20 30 CDEDLO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCCC[C@H]1CCO ZINC000330287754 228093476 /nfs/dbraw/zinc/09/34/76/228093476.db2.gz COLHMVQXDACAPM-STQMWFEESA-N 1 2 292.383 1.349 20 30 CDEDLO CC[N@H+](Cc1cc(C#N)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000179599609 260057620 /nfs/dbraw/zinc/05/76/20/260057620.db2.gz WRUXQHKIYUXOLU-NSHDSACASA-N 1 2 284.406 1.629 20 30 CDEDLO CC[N@@H+](Cc1cc(C#N)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000179599609 260057621 /nfs/dbraw/zinc/05/76/21/260057621.db2.gz WRUXQHKIYUXOLU-NSHDSACASA-N 1 2 284.406 1.629 20 30 CDEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000408080810 260219493 /nfs/dbraw/zinc/21/94/93/260219493.db2.gz CKOTXMIJIIVVQB-ZIAGYGMSSA-N 1 2 293.411 1.828 20 30 CDEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000408080810 260219494 /nfs/dbraw/zinc/21/94/94/260219494.db2.gz CKOTXMIJIIVVQB-ZIAGYGMSSA-N 1 2 293.411 1.828 20 30 CDEDLO C#CC[N@@H+](CC)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000490853407 261227324 /nfs/dbraw/zinc/22/73/24/261227324.db2.gz QYTNNCRTSMQLMM-GFCCVEGCSA-N 1 2 295.180 1.931 20 30 CDEDLO C#CC[N@H+](CC)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000490853407 261227326 /nfs/dbraw/zinc/22/73/26/261227326.db2.gz QYTNNCRTSMQLMM-GFCCVEGCSA-N 1 2 295.180 1.931 20 30 CDEDLO C=C(C)CN(CC)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000106582478 261855050 /nfs/dbraw/zinc/85/50/50/261855050.db2.gz IGJNXSVILCZKMH-CQSZACIVSA-N 1 2 282.432 1.230 20 30 CDEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NCCn1cc[nH+]c1 ZINC000184341521 262017602 /nfs/dbraw/zinc/01/76/02/262017602.db2.gz OJWJBEHMQNNWAD-GFCCVEGCSA-N 1 2 299.334 1.996 20 30 CDEDLO NC(COc1ccccc1)=[NH+]OCC[C@@H]1CCCO1 ZINC000189211560 262169340 /nfs/dbraw/zinc/16/93/40/262169340.db2.gz YATAZGZEFFFLSE-ZDUSSCGKSA-N 1 2 264.325 1.923 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187049102 262377284 /nfs/dbraw/zinc/37/72/84/262377284.db2.gz RVBNWHLZGZAUBU-CYBMUJFWSA-N 1 2 254.374 1.114 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187049102 262377285 /nfs/dbraw/zinc/37/72/85/262377285.db2.gz RVBNWHLZGZAUBU-CYBMUJFWSA-N 1 2 254.374 1.114 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000280363229 263060650 /nfs/dbraw/zinc/06/06/50/263060650.db2.gz LJNUBLVFXFCCPM-AWEZNQCLSA-N 1 2 293.330 1.588 20 30 CDEDLO CO/N=C/C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000283113205 263081382 /nfs/dbraw/zinc/08/13/82/263081382.db2.gz YDGVYBCKDPNMHM-MHWRWJLKSA-N 1 2 295.770 1.616 20 30 CDEDLO COc1ccc(O)c(/C=[NH+]/CCC2(O)CCOCC2)c1 ZINC000285374250 263092575 /nfs/dbraw/zinc/09/25/75/263092575.db2.gz OHSSYZSOSBYMTR-LFIBNONCSA-N 1 2 279.336 1.751 20 30 CDEDLO COC(=O)c1cccc(OCC(N)=[NH+]OC2CCC2)c1 ZINC000292647475 263133367 /nfs/dbraw/zinc/13/33/67/263133367.db2.gz GHBPEBAPKINPTF-UHFFFAOYSA-N 1 2 278.308 1.693 20 30 CDEDLO COCCN1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000298427902 263219263 /nfs/dbraw/zinc/21/92/63/263219263.db2.gz UPKWGSSMEZKPJM-UHFFFAOYSA-N 1 2 289.379 1.353 20 30 CDEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N(C)CCC#N ZINC000298596775 263222827 /nfs/dbraw/zinc/22/28/27/263222827.db2.gz SBOZKUBYKHJCHY-OAHLLOKOSA-N 1 2 283.375 1.882 20 30 CDEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N(C)CCC#N ZINC000298596775 263222828 /nfs/dbraw/zinc/22/28/28/263222828.db2.gz SBOZKUBYKHJCHY-OAHLLOKOSA-N 1 2 283.375 1.882 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000340998420 263315832 /nfs/dbraw/zinc/31/58/32/263315832.db2.gz NATHFRVMQHNJNE-STQMWFEESA-N 1 2 260.341 1.127 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000340998420 263315833 /nfs/dbraw/zinc/31/58/33/263315833.db2.gz NATHFRVMQHNJNE-STQMWFEESA-N 1 2 260.341 1.127 20 30 CDEDLO Cc1c(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cnn1C(C)C ZINC000330631444 264000099 /nfs/dbraw/zinc/00/00/99/264000099.db2.gz GCCPVBDNJRNSCZ-GFCCVEGCSA-N 1 2 294.399 1.798 20 30 CDEDLO Cc1c(C(=O)NCC[N@H+]2CCOC[C@H]2C)cnn1C(C)C ZINC000330631444 264000100 /nfs/dbraw/zinc/00/01/00/264000100.db2.gz GCCPVBDNJRNSCZ-GFCCVEGCSA-N 1 2 294.399 1.798 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000330788684 264053294 /nfs/dbraw/zinc/05/32/94/264053294.db2.gz RCORRNBDLMNASG-NWDGAFQWSA-N 1 2 255.362 1.175 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000330788684 264053295 /nfs/dbraw/zinc/05/32/95/264053295.db2.gz RCORRNBDLMNASG-NWDGAFQWSA-N 1 2 255.362 1.175 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)NCCC(F)(F)F ZINC000330934935 264079712 /nfs/dbraw/zinc/07/97/12/264079712.db2.gz KWUJWHPYGKOIHG-UHFFFAOYSA-N 1 2 297.321 1.553 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)NCCC(F)(F)F ZINC000330934935 264079714 /nfs/dbraw/zinc/07/97/14/264079714.db2.gz KWUJWHPYGKOIHG-UHFFFAOYSA-N 1 2 297.321 1.553 20 30 CDEDLO Cc1cc(C)c(NC(=O)NCc2nncn2C)c(C)[nH+]1 ZINC000331231149 264152793 /nfs/dbraw/zinc/15/27/93/264152793.db2.gz HSAYWRZNIFWYSU-UHFFFAOYSA-N 1 2 274.328 1.661 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCN(C)C[C@H]1C(C)C ZINC000331231697 264153344 /nfs/dbraw/zinc/15/33/44/264153344.db2.gz IMXISKGZURROCK-AWEZNQCLSA-N 1 2 280.416 1.021 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCN(C)C[C@H]1C(C)C ZINC000331231697 264153346 /nfs/dbraw/zinc/15/33/46/264153346.db2.gz IMXISKGZURROCK-AWEZNQCLSA-N 1 2 280.416 1.021 20 30 CDEDLO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc(F)c(O)c(F)c1 ZINC000331251128 264181330 /nfs/dbraw/zinc/18/13/30/264181330.db2.gz ZOFROQCZONOSET-SNVBAGLBSA-N 1 2 299.321 1.221 20 30 CDEDLO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cc(F)c(O)c(F)c1 ZINC000331251128 264181331 /nfs/dbraw/zinc/18/13/31/264181331.db2.gz ZOFROQCZONOSET-SNVBAGLBSA-N 1 2 299.321 1.221 20 30 CDEDLO CN(C)c1ccc(CNC(=O)NC[C@]2(C)CCCO2)c[nH+]1 ZINC000331302765 264200091 /nfs/dbraw/zinc/20/00/91/264200091.db2.gz SMFWYRNWWZDDCB-HNNXBMFYSA-N 1 2 292.383 1.720 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000189120901 264271585 /nfs/dbraw/zinc/27/15/85/264271585.db2.gz TUNUUHFZIGHDCQ-SNVBAGLBSA-N 1 2 290.323 1.037 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC000425488325 264354566 /nfs/dbraw/zinc/35/45/66/264354566.db2.gz MSVHGDGXTSGFHD-BDAKNGLRSA-N 1 2 297.380 1.271 20 30 CDEDLO Cc1noc(C)c1C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000046060575 423923349 /nfs/dbraw/zinc/92/33/49/423923349.db2.gz MRJFRJHEWPUNKO-HNNXBMFYSA-N 1 2 292.383 1.778 20 30 CDEDLO Cc1noc(C)c1C[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000046060575 423923364 /nfs/dbraw/zinc/92/33/64/423923364.db2.gz MRJFRJHEWPUNKO-HNNXBMFYSA-N 1 2 292.383 1.778 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000652997050 424089468 /nfs/dbraw/zinc/08/94/68/424089468.db2.gz PUOWQNXYFPDXGB-UHFFFAOYSA-N 1 2 298.427 1.396 20 30 CDEDLO C=C(CC)CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661289777 424137335 /nfs/dbraw/zinc/13/73/35/424137335.db2.gz JNCPNNDNJSMNOH-CYBMUJFWSA-N 1 2 267.373 1.069 20 30 CDEDLO C=CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000048844518 424318707 /nfs/dbraw/zinc/31/87/07/424318707.db2.gz SJTHXMRUDARZAL-LBPRGKRZSA-N 1 2 295.408 1.607 20 30 CDEDLO C=CCCn1cc(C[N@@H+](C)[C@H](CO)COC(C)C)nn1 ZINC000653643097 424378531 /nfs/dbraw/zinc/37/85/31/424378531.db2.gz APOTUULTLBEMGP-CQSZACIVSA-N 1 2 282.388 1.072 20 30 CDEDLO C=CCCn1cc(C[N@H+](C)[C@H](CO)COC(C)C)nn1 ZINC000653643097 424378536 /nfs/dbraw/zinc/37/85/36/424378536.db2.gz APOTUULTLBEMGP-CQSZACIVSA-N 1 2 282.388 1.072 20 30 CDEDLO C=CCCC1(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000356227951 266077342 /nfs/dbraw/zinc/07/73/42/266077342.db2.gz SCRXDCIWPZPSFA-HUUCEWRRSA-N 1 2 292.423 1.912 20 30 CDEDLO CC[C@H](C)[C@H](NC(=O)C[N@H+](CC)C[C@@H](C)C#N)C(=O)OC ZINC000356482336 266122984 /nfs/dbraw/zinc/12/29/84/266122984.db2.gz UNUVLUVKFFKIFV-OBJOEFQTSA-N 1 2 297.399 1.172 20 30 CDEDLO CC[C@H](C)[C@H](NC(=O)C[N@@H+](CC)C[C@@H](C)C#N)C(=O)OC ZINC000356482336 266122987 /nfs/dbraw/zinc/12/29/87/266122987.db2.gz UNUVLUVKFFKIFV-OBJOEFQTSA-N 1 2 297.399 1.172 20 30 CDEDLO CCNC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369208239 267226573 /nfs/dbraw/zinc/22/65/73/267226573.db2.gz WATGPVAYQRGPGW-UHFFFAOYSA-N 1 2 272.352 1.075 20 30 CDEDLO N#CCCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000373576302 267692160 /nfs/dbraw/zinc/69/21/60/267692160.db2.gz JYHOUTCBUSMDET-CYBMUJFWSA-N 1 2 265.357 1.050 20 30 CDEDLO N#CCCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000373576302 267692163 /nfs/dbraw/zinc/69/21/63/267692163.db2.gz JYHOUTCBUSMDET-CYBMUJFWSA-N 1 2 265.357 1.050 20 30 CDEDLO Cc1nnc(NCC[N@@H+]2CCO[C@@H](C)C2)c(C#N)c1C ZINC000523732826 268095073 /nfs/dbraw/zinc/09/50/73/268095073.db2.gz DEPIZTPDJHXKLH-JTQLQIEISA-N 1 2 275.356 1.098 20 30 CDEDLO Cc1nnc(NCC[N@H+]2CCO[C@@H](C)C2)c(C#N)c1C ZINC000523732826 268095077 /nfs/dbraw/zinc/09/50/77/268095077.db2.gz DEPIZTPDJHXKLH-JTQLQIEISA-N 1 2 275.356 1.098 20 30 CDEDLO CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000334876827 277247064 /nfs/dbraw/zinc/24/70/64/277247064.db2.gz JFOUPRQIYLWSLA-KOLCDFICSA-N 1 2 260.341 1.884 20 30 CDEDLO CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000334876827 277247065 /nfs/dbraw/zinc/24/70/65/277247065.db2.gz JFOUPRQIYLWSLA-KOLCDFICSA-N 1 2 260.341 1.884 20 30 CDEDLO CC1(C)CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H]1C#N ZINC000336408859 278212854 /nfs/dbraw/zinc/21/28/54/278212854.db2.gz KWRNJJVUDCKYID-OCCSQVGLSA-N 1 2 286.379 1.986 20 30 CDEDLO C[C@@H]1CN(C(=O)c2sccc2C#N)C[C@H](C)[N@H+]1C ZINC000336246078 288064827 /nfs/dbraw/zinc/06/48/27/288064827.db2.gz WQYMERZWXCYLOE-AOOOYVTPSA-N 1 2 263.366 1.784 20 30 CDEDLO C[C@@H]1CN(C(=O)c2sccc2C#N)C[C@H](C)[N@@H+]1C ZINC000336246078 288064828 /nfs/dbraw/zinc/06/48/28/288064828.db2.gz WQYMERZWXCYLOE-AOOOYVTPSA-N 1 2 263.366 1.784 20 30 CDEDLO Cc1cc(NCc2ncccc2N(C)C)c(C#N)c[nH+]1 ZINC000425271101 280299980 /nfs/dbraw/zinc/29/99/80/280299980.db2.gz URHOACVNRAFJBT-UHFFFAOYSA-N 1 2 267.336 1.757 20 30 CDEDLO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CCCO1 ZINC000329757011 280340151 /nfs/dbraw/zinc/34/01/51/280340151.db2.gz ZBKBVLCEQTWBGF-VXGBXAGGSA-N 1 2 292.383 1.682 20 30 CDEDLO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CCCO1 ZINC000329757011 280340152 /nfs/dbraw/zinc/34/01/52/280340152.db2.gz ZBKBVLCEQTWBGF-VXGBXAGGSA-N 1 2 292.383 1.682 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)NCc1ccc(C#N)cc1 ZINC000548585402 289901942 /nfs/dbraw/zinc/90/19/42/289901942.db2.gz IYBDSWVMVAMYEU-UHFFFAOYSA-N 1 2 254.293 1.151 20 30 CDEDLO C[C@H]1CC[N@H+](C[C@@H]2CNc3c(C#N)cnn3C2)CC1(F)F ZINC000563150624 293291301 /nfs/dbraw/zinc/29/13/01/293291301.db2.gz NUKPQTBSEOUSQM-QWRGUYRKSA-N 1 2 295.337 1.774 20 30 CDEDLO C[C@H]1CC[N@@H+](C[C@@H]2CNc3c(C#N)cnn3C2)CC1(F)F ZINC000563150624 293291302 /nfs/dbraw/zinc/29/13/02/293291302.db2.gz NUKPQTBSEOUSQM-QWRGUYRKSA-N 1 2 295.337 1.774 20 30 CDEDLO COc1ccc(C)cc1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000563220759 327979694 /nfs/dbraw/zinc/97/96/94/327979694.db2.gz USYHYBNYBUKNHE-MRXNPFEDSA-N 1 2 289.379 1.506 20 30 CDEDLO C[C@H](C(=O)NCC(=O)c1ccc(C#N)cc1)[NH+]1CC(C)C1 ZINC000566459895 316598634 /nfs/dbraw/zinc/59/86/34/316598634.db2.gz CMPRFPRTUIDWNW-GFCCVEGCSA-N 1 2 285.347 1.197 20 30 CDEDLO CCN1CCN(c2ccc(C#N)c(C)n2)C[C@H]1c1[nH]cc[nH+]1 ZINC000575853489 317025081 /nfs/dbraw/zinc/02/50/81/317025081.db2.gz MNWJAGFFFPHSEZ-AWEZNQCLSA-N 1 2 296.378 1.868 20 30 CDEDLO C=CCn1cc(C[NH2+][C@H](C)c2cncnc2C)nn1 ZINC000567123564 328058539 /nfs/dbraw/zinc/05/85/39/328058539.db2.gz MGUXAUWBRGTIBO-SNVBAGLBSA-N 1 2 258.329 1.413 20 30 CDEDLO Cc1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccn1C(C)C ZINC000571093420 328085191 /nfs/dbraw/zinc/08/51/91/328085191.db2.gz CDGQFKAGLMRAOG-OAHLLOKOSA-N 1 2 276.384 1.951 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)Cc1cnc(N2CCOCC2)s1 ZINC000271137024 328194995 /nfs/dbraw/zinc/19/49/95/328194995.db2.gz SFNHJJJYUXPHEZ-NSHDSACASA-N 1 2 280.397 1.571 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cnc(N2CCOCC2)s1 ZINC000271137024 328194996 /nfs/dbraw/zinc/19/49/96/328194996.db2.gz SFNHJJJYUXPHEZ-NSHDSACASA-N 1 2 280.397 1.571 20 30 CDEDLO Cn1cc(Br)c(C[NH2+][C@H]2CC[C@H](C#N)C2)n1 ZINC000334678763 328560265 /nfs/dbraw/zinc/56/02/65/328560265.db2.gz OIGQSGJVQCUDBW-IUCAKERBSA-N 1 2 283.173 1.964 20 30 CDEDLO C[C@H]1CCN(c2cncc(C#N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000584046480 326905880 /nfs/dbraw/zinc/90/58/80/326905880.db2.gz WEEHQSYBEMBEBF-AAEUAGOBSA-N 1 2 268.324 1.632 20 30 CDEDLO C=C(C)Cn1c(CC)nnc1N(C)CC[NH+]1CCOCC1 ZINC000559005742 327137678 /nfs/dbraw/zinc/13/76/78/327137678.db2.gz WFOVCJOWVOXLDW-UHFFFAOYSA-N 1 2 293.415 1.185 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091892358 327186934 /nfs/dbraw/zinc/18/69/34/327186934.db2.gz LDEWRWXBLPDSOV-GFCCVEGCSA-N 1 2 289.354 1.944 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCc2cc(F)ccc2C1 ZINC000091892358 327186936 /nfs/dbraw/zinc/18/69/36/327186936.db2.gz LDEWRWXBLPDSOV-GFCCVEGCSA-N 1 2 289.354 1.944 20 30 CDEDLO CC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1COC1 ZINC000584294881 327224482 /nfs/dbraw/zinc/22/44/82/327224482.db2.gz IUWVOLPEJRRXOZ-UHFFFAOYSA-N 1 2 261.281 1.687 20 30 CDEDLO CC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1COC1 ZINC000584294881 327224484 /nfs/dbraw/zinc/22/44/84/327224484.db2.gz IUWVOLPEJRRXOZ-UHFFFAOYSA-N 1 2 261.281 1.687 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc2c1OCCC2 ZINC000566240445 327256358 /nfs/dbraw/zinc/25/63/58/327256358.db2.gz WZCFCENFUMYFCP-CQSZACIVSA-N 1 2 290.363 1.597 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc2c1OCCC2 ZINC000566240445 327256360 /nfs/dbraw/zinc/25/63/60/327256360.db2.gz WZCFCENFUMYFCP-CQSZACIVSA-N 1 2 290.363 1.597 20 30 CDEDLO C#Cc1cccc(NC(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000377732405 329027541 /nfs/dbraw/zinc/02/75/41/329027541.db2.gz KWOGXROFPFXSEQ-UHFFFAOYSA-N 1 2 266.304 1.912 20 30 CDEDLO C=C(Cl)CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000378304169 329045641 /nfs/dbraw/zinc/04/56/41/329045641.db2.gz CVZGVARQYZGCQJ-GFCCVEGCSA-N 1 2 281.743 1.997 20 30 CDEDLO CCC(CC)[C@H](C(=O)N[C@@H](C)CC#N)[NH+]1CCOCC1 ZINC000173328666 329145977 /nfs/dbraw/zinc/14/59/77/329145977.db2.gz ZGQCOYPAABFQJG-GXTWGEPZSA-N 1 2 281.400 1.542 20 30 CDEDLO C#CCCCC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000192087090 329426498 /nfs/dbraw/zinc/42/64/98/329426498.db2.gz GSKGLGXLEBTZBJ-OAHLLOKOSA-N 1 2 296.436 1.114 20 30 CDEDLO N#CC1(CNC(=O)NCc2cn3ccccc3[nH+]2)CCC1 ZINC000419395276 329722815 /nfs/dbraw/zinc/72/28/15/329722815.db2.gz BCUUXTKZQJYDID-UHFFFAOYSA-N 1 2 283.335 1.827 20 30 CDEDLO Cc1ccc(F)cc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000572092254 329943446 /nfs/dbraw/zinc/94/34/46/329943446.db2.gz ZSOIVFYQMKWNBA-AWEZNQCLSA-N 1 2 263.316 1.708 20 30 CDEDLO C=CCCN(C)C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422591380 330149690 /nfs/dbraw/zinc/14/96/90/330149690.db2.gz RAVLGOLFGWMSBC-UHFFFAOYSA-N 1 2 275.352 1.349 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2c(CC)nn(C)c2CC)nn1 ZINC000424168854 330310505 /nfs/dbraw/zinc/31/05/05/330310505.db2.gz GNNRRRRNMCZVIA-UHFFFAOYSA-N 1 2 288.399 1.612 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccc([S@@](C)=O)cc2)nn1 ZINC000424175820 330316155 /nfs/dbraw/zinc/31/61/55/330316155.db2.gz VMDRTVLNSCGIFE-HXUWFJFHSA-N 1 2 290.392 1.491 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccccc2N(C)C)nn1 ZINC000424177287 330317599 /nfs/dbraw/zinc/31/75/99/330317599.db2.gz ZQDPGLWIFDNSIO-UHFFFAOYSA-N 1 2 271.368 1.820 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(OC(F)F)c1 ZINC000515109684 330471215 /nfs/dbraw/zinc/47/12/15/330471215.db2.gz VKGRZGFZYDUEOO-CQSZACIVSA-N 1 2 297.305 1.862 20 30 CDEDLO C=CCC[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C(=O)OCC ZINC000456604334 331196351 /nfs/dbraw/zinc/19/63/51/331196351.db2.gz JPOTYCKXTHXLAW-NSHDSACASA-N 1 2 279.340 1.275 20 30 CDEDLO C=CCC[C@H](NC(=O)Cc1[nH+]c[nH]c1C)C(=O)OCC ZINC000456604334 331196352 /nfs/dbraw/zinc/19/63/52/331196352.db2.gz JPOTYCKXTHXLAW-NSHDSACASA-N 1 2 279.340 1.275 20 30 CDEDLO C=CCCCS(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000489615481 332061510 /nfs/dbraw/zinc/06/15/10/332061510.db2.gz FDIQPMWUJOJYJH-NSHDSACASA-N 1 2 269.370 1.843 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N(C)Cc1ccc(OC)cc1 ZINC000490676032 332102402 /nfs/dbraw/zinc/10/24/02/332102402.db2.gz GJHAFZCRHUOWAD-UHFFFAOYSA-N 1 2 298.386 1.612 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N(C)Cc1ccc(OC)cc1 ZINC000490676032 332102403 /nfs/dbraw/zinc/10/24/03/332102403.db2.gz GJHAFZCRHUOWAD-UHFFFAOYSA-N 1 2 298.386 1.612 20 30 CDEDLO C#CC[NH+]1CCN(CN2C(=O)[C@@H](C)[C@H]2c2ccccc2)CC1 ZINC000490679243 332103236 /nfs/dbraw/zinc/10/32/36/332103236.db2.gz RPTJEXVFXJQUKX-RDJZCZTQSA-N 1 2 297.402 1.414 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1cccnc1Cl ZINC000490841605 332119587 /nfs/dbraw/zinc/11/95/87/332119587.db2.gz WCLRILSTWBRJHH-UHFFFAOYSA-N 1 2 251.717 1.629 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1cccnc1Cl ZINC000490841605 332119588 /nfs/dbraw/zinc/11/95/88/332119588.db2.gz WCLRILSTWBRJHH-UHFFFAOYSA-N 1 2 251.717 1.629 20 30 CDEDLO C#CC[N@@H+](CC/C=C\CC)[C@@H]1CCS(=O)(=O)C1 ZINC000490983956 332135843 /nfs/dbraw/zinc/13/58/43/332135843.db2.gz COEZYTVRJBPJPV-CFHLNLSMSA-N 1 2 255.383 1.465 20 30 CDEDLO C#CC[N@H+](CC/C=C\CC)[C@@H]1CCS(=O)(=O)C1 ZINC000490983956 332135845 /nfs/dbraw/zinc/13/58/45/332135845.db2.gz COEZYTVRJBPJPV-CFHLNLSMSA-N 1 2 255.383 1.465 20 30 CDEDLO C#CC[N@@H+](CC(=O)N(C)CC1CC1)Cc1ccccc1 ZINC000491072118 332146659 /nfs/dbraw/zinc/14/66/59/332146659.db2.gz PVGXFVIVFXIGIX-UHFFFAOYSA-N 1 2 270.376 1.990 20 30 CDEDLO C#CC[N@H+](CC(=O)N(C)CC1CC1)Cc1ccccc1 ZINC000491072118 332146660 /nfs/dbraw/zinc/14/66/60/332146660.db2.gz PVGXFVIVFXIGIX-UHFFFAOYSA-N 1 2 270.376 1.990 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CCOc1cccc(S(C)(=O)=O)c1 ZINC000491284829 332180676 /nfs/dbraw/zinc/18/06/76/332180676.db2.gz ABAIFRQDRFFWFZ-LBPRGKRZSA-N 1 2 281.377 1.422 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CCOc1cccc(S(C)(=O)=O)c1 ZINC000491284829 332180677 /nfs/dbraw/zinc/18/06/77/332180677.db2.gz ABAIFRQDRFFWFZ-LBPRGKRZSA-N 1 2 281.377 1.422 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)C[C@H](C)CS(C)(=O)=O)n1 ZINC000491286704 332181556 /nfs/dbraw/zinc/18/15/56/332181556.db2.gz JEAGJVORAPGAON-ZDUSSCGKSA-N 1 2 297.424 1.019 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)C[C@H](C)CS(C)(=O)=O)n1 ZINC000491286704 332181557 /nfs/dbraw/zinc/18/15/57/332181557.db2.gz JEAGJVORAPGAON-ZDUSSCGKSA-N 1 2 297.424 1.019 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCCOCC(F)(F)F ZINC000491338382 332192578 /nfs/dbraw/zinc/19/25/78/332192578.db2.gz IBDXCMGUOYPHSR-JTQLQIEISA-N 1 2 251.248 1.289 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCCOCC(F)(F)F ZINC000491338382 332192580 /nfs/dbraw/zinc/19/25/80/332192580.db2.gz IBDXCMGUOYPHSR-JTQLQIEISA-N 1 2 251.248 1.289 20 30 CDEDLO C#C[C@@H](CC)NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000491347976 332194142 /nfs/dbraw/zinc/19/41/42/332194142.db2.gz BBURDPLFUABEGI-AWEZNQCLSA-N 1 2 286.379 1.893 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000491392197 332202875 /nfs/dbraw/zinc/20/28/75/332202875.db2.gz ATADOUAGKGYJEK-LLVKDONJSA-N 1 2 256.309 1.497 20 30 CDEDLO C#CC[N@@H+](Cc1cnnn1CC)Cc1ccccc1 ZINC000491463112 332216308 /nfs/dbraw/zinc/21/63/08/332216308.db2.gz LOUVTIMSMUIEHD-UHFFFAOYSA-N 1 2 254.337 1.933 20 30 CDEDLO C#CC[N@H+](Cc1cnnn1CC)Cc1ccccc1 ZINC000491463112 332216309 /nfs/dbraw/zinc/21/63/09/332216309.db2.gz LOUVTIMSMUIEHD-UHFFFAOYSA-N 1 2 254.337 1.933 20 30 CDEDLO C#CCNC(=O)CC[NH2+]c1ccc(O)cc1OCCC ZINC000491474660 332218224 /nfs/dbraw/zinc/21/82/24/332218224.db2.gz OTTOBBFVIBEQEU-UHFFFAOYSA-N 1 2 276.336 1.732 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@H](O)COCc1ccccc1F ZINC000491624416 332248749 /nfs/dbraw/zinc/24/87/49/332248749.db2.gz GYXKLWMCVAGERY-GJZGRUSLSA-N 1 2 293.338 1.037 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](O)COCc1ccccc1F ZINC000491624416 332248750 /nfs/dbraw/zinc/24/87/50/332248750.db2.gz GYXKLWMCVAGERY-GJZGRUSLSA-N 1 2 293.338 1.037 20 30 CDEDLO C#CCN(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000491671741 332278788 /nfs/dbraw/zinc/27/87/88/332278788.db2.gz XJFPMQJAIHNNEZ-UHFFFAOYSA-N 1 2 272.352 1.325 20 30 CDEDLO C#C[C@H](CCC)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000491682376 332285178 /nfs/dbraw/zinc/28/51/78/332285178.db2.gz RVLXLSPNKYBPGB-CYBMUJFWSA-N 1 2 262.357 1.717 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000491713252 332304443 /nfs/dbraw/zinc/30/44/43/332304443.db2.gz ZQFLAXPWNJXEEG-ZDUSSCGKSA-N 1 2 288.395 1.112 20 30 CDEDLO C#CCn1ccc(CN(CCOC)c2cc[nH+]c(C)n2)n1 ZINC000491752882 332328519 /nfs/dbraw/zinc/32/85/19/332328519.db2.gz NESKVFXMLZVTEF-UHFFFAOYSA-N 1 2 285.351 1.268 20 30 CDEDLO C#CCN(CC#N)C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000491768435 332335949 /nfs/dbraw/zinc/33/59/49/332335949.db2.gz JIVQYXQPGSQCQD-SNVBAGLBSA-N 1 2 298.268 1.441 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1CC[C@H](Cc2ccccc2)C1=O ZINC000491772421 332338620 /nfs/dbraw/zinc/33/86/20/332338620.db2.gz QPOREMLVFZSACT-GDBMZVCRSA-N 1 2 270.376 1.989 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1CC[C@H](Cc2ccccc2)C1=O ZINC000491772421 332338621 /nfs/dbraw/zinc/33/86/21/332338621.db2.gz QPOREMLVFZSACT-GDBMZVCRSA-N 1 2 270.376 1.989 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2C)CC1 ZINC000491779344 332344138 /nfs/dbraw/zinc/34/41/38/332344138.db2.gz ZIFNRABLUKMUPF-UHFFFAOYSA-N 1 2 273.384 1.228 20 30 CDEDLO C#CC[N@H+](Cc1ccccc1)C[C@@H](C)S(C)(=O)=O ZINC000491818033 332368274 /nfs/dbraw/zinc/36/82/74/332368274.db2.gz WTKQSNZCAUNXSL-CYBMUJFWSA-N 1 2 265.378 1.555 20 30 CDEDLO C#CC[N@@H+](Cc1ccccc1)C[C@@H](C)S(C)(=O)=O ZINC000491818033 332368276 /nfs/dbraw/zinc/36/82/76/332368276.db2.gz WTKQSNZCAUNXSL-CYBMUJFWSA-N 1 2 265.378 1.555 20 30 CDEDLO C[C@H]([NH2+]CC(=O)NCC#N)c1ncc(-c2ccccc2)o1 ZINC000184864091 333132925 /nfs/dbraw/zinc/13/29/25/333132925.db2.gz ILLWMZHRRFWQKB-NSHDSACASA-N 1 2 284.319 1.632 20 30 CDEDLO C[NH+]1CCC(C#N)(NC(=O)CCC(=O)c2ccccc2)CC1 ZINC000521906554 333198037 /nfs/dbraw/zinc/19/80/37/333198037.db2.gz MKAWNXFKDUKUIL-UHFFFAOYSA-N 1 2 299.374 1.754 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000192231733 333233082 /nfs/dbraw/zinc/23/30/82/333233082.db2.gz MBSYLASNLZYJBP-LLVKDONJSA-N 1 2 281.153 1.541 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000192231733 333233083 /nfs/dbraw/zinc/23/30/83/333233083.db2.gz MBSYLASNLZYJBP-LLVKDONJSA-N 1 2 281.153 1.541 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)N(CCC#N)Cc1ccco1 ZINC000547603927 334102150 /nfs/dbraw/zinc/10/21/50/334102150.db2.gz ZEDAXJQYFHQZCV-UHFFFAOYSA-N 1 2 272.308 1.498 20 30 CDEDLO N#CCNC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135240985 334121442 /nfs/dbraw/zinc/12/14/42/334121442.db2.gz VCBVGQVZGRYOGK-UHFFFAOYSA-N 1 2 288.307 1.199 20 30 CDEDLO N#CCNC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135240985 334121444 /nfs/dbraw/zinc/12/14/44/334121444.db2.gz VCBVGQVZGRYOGK-UHFFFAOYSA-N 1 2 288.307 1.199 20 30 CDEDLO C=CCOCC[N@H+]1CCSC[C@@H]1C(=O)OCC ZINC000549366135 334191429 /nfs/dbraw/zinc/19/14/29/334191429.db2.gz FXMRDFFFXFFSKQ-LLVKDONJSA-N 1 2 259.371 1.170 20 30 CDEDLO C=CCOCC[N@@H+]1CCSC[C@@H]1C(=O)OCC ZINC000549366135 334191431 /nfs/dbraw/zinc/19/14/31/334191431.db2.gz FXMRDFFFXFFSKQ-LLVKDONJSA-N 1 2 259.371 1.170 20 30 CDEDLO CSc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)o1 ZINC000567995930 334782785 /nfs/dbraw/zinc/78/27/85/334782785.db2.gz ZDZSXMPRPGUMNC-GFCCVEGCSA-N 1 2 267.354 1.575 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1ccc(F)cc1 ZINC000580689915 335328745 /nfs/dbraw/zinc/32/87/45/335328745.db2.gz NVVWFBBFDDFKPJ-OAHLLOKOSA-N 1 2 277.343 1.718 20 30 CDEDLO CCO[C@@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)C(C)C ZINC000579013921 335700605 /nfs/dbraw/zinc/70/06/05/335700605.db2.gz KRFULKGZZACRHB-JSGCOSHPSA-N 1 2 269.389 1.398 20 30 CDEDLO Cc1ccc(F)c(OCC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000581947218 336174909 /nfs/dbraw/zinc/17/49/09/336174909.db2.gz REYROFPGUZQLMJ-HNNXBMFYSA-N 1 2 293.342 1.473 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCCF ZINC001268743304 1160012171 /nfs/dbraw/zinc/01/21/71/1160012171.db2.gz LLWJRZQQXHRHJU-SNVBAGLBSA-N 1 2 250.745 1.925 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCCF ZINC001268743304 1160012180 /nfs/dbraw/zinc/01/21/80/1160012180.db2.gz LLWJRZQQXHRHJU-SNVBAGLBSA-N 1 2 250.745 1.925 20 30 CDEDLO CCC#C[C@@H](C)[NH+]1CCN(CC(=O)N(CC)CC)CC1 ZINC000677046609 482518513 /nfs/dbraw/zinc/51/85/13/482518513.db2.gz CAYWSIZCQVUABT-OAHLLOKOSA-N 1 2 279.428 1.274 20 30 CDEDLO CCC#C[C@@H](C)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000677046609 482518518 /nfs/dbraw/zinc/51/85/18/482518518.db2.gz CAYWSIZCQVUABT-OAHLLOKOSA-N 1 2 279.428 1.274 20 30 CDEDLO CCc1noc([C@@H](C)[NH2+]CCNC(=O)C#CC(C)C)n1 ZINC001126834687 1160736934 /nfs/dbraw/zinc/73/69/34/1160736934.db2.gz YBSDQWFQGWMYFJ-LLVKDONJSA-N 1 2 278.356 1.058 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCCSCC(C)C ZINC000756345765 576986531 /nfs/dbraw/zinc/98/65/31/576986531.db2.gz NDQWZVJIDPBJES-ZDUSSCGKSA-N 1 2 268.426 1.589 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCSCC(C)C ZINC000756345765 576986532 /nfs/dbraw/zinc/98/65/32/576986532.db2.gz NDQWZVJIDPBJES-ZDUSSCGKSA-N 1 2 268.426 1.589 20 30 CDEDLO C[C@@H]1C[C@H]1CNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000329193193 534010893 /nfs/dbraw/zinc/01/08/93/534010893.db2.gz TYQZDCDRPGIRNO-OCCSQVGLSA-N 1 2 291.399 1.108 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H](C)[C@@H]2CCCO2)C1 ZINC001754585813 1185675032 /nfs/dbraw/zinc/67/50/32/1185675032.db2.gz DAVDPJQUJSHYPE-OCCSQVGLSA-N 1 2 266.385 1.520 20 30 CDEDLO C[C@@]1(NC(=O)NCc2cn3c([nH+]2)CCCC3)CCCOC1 ZINC000329160103 534271994 /nfs/dbraw/zinc/27/19/94/534271994.db2.gz XZIDWHRJGARNBA-OAHLLOKOSA-N 1 2 292.383 1.792 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)OCc2ccncc2)CC1 ZINC001113359450 1162161598 /nfs/dbraw/zinc/16/15/98/1162161598.db2.gz ASGORHBHUHXWMR-AWEZNQCLSA-N 1 2 289.379 1.317 20 30 CDEDLO CCOC(=O)C[N@H+](CCOc1ccc(C#N)cc1)C1CC1 ZINC000049573467 520764296 /nfs/dbraw/zinc/76/42/96/520764296.db2.gz QTECIMKYXDSUQX-UHFFFAOYSA-N 1 2 288.347 1.965 20 30 CDEDLO CCOC(=O)C[N@@H+](CCOc1ccc(C#N)cc1)C1CC1 ZINC000049573467 520764302 /nfs/dbraw/zinc/76/43/02/520764302.db2.gz QTECIMKYXDSUQX-UHFFFAOYSA-N 1 2 288.347 1.965 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+](CC(=C)C)CC1 ZINC001113713833 1162264447 /nfs/dbraw/zinc/26/44/47/1162264447.db2.gz ZZIVUSZJFGYZGJ-ZDUSSCGKSA-N 1 2 252.358 1.298 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCOc3ccc(F)cc3C2)C1=O ZINC000334941994 526482470 /nfs/dbraw/zinc/48/24/70/526482470.db2.gz ZNSRZOINVQWCGF-CQSZACIVSA-N 1 2 290.338 1.807 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCOc3ccc(F)cc3C2)C1=O ZINC000334941994 526482475 /nfs/dbraw/zinc/48/24/75/526482475.db2.gz ZNSRZOINVQWCGF-CQSZACIVSA-N 1 2 290.338 1.807 20 30 CDEDLO C=C(C)C[N@@H+](C)Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000353169591 526505265 /nfs/dbraw/zinc/50/52/65/526505265.db2.gz GJWCNUOKWUUZCZ-CQSZACIVSA-N 1 2 297.424 1.425 20 30 CDEDLO C=C(C)C[N@H+](C)Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000353169591 526505267 /nfs/dbraw/zinc/50/52/67/526505267.db2.gz GJWCNUOKWUUZCZ-CQSZACIVSA-N 1 2 297.424 1.425 20 30 CDEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC1CC1 ZINC000352806665 526561133 /nfs/dbraw/zinc/56/11/33/526561133.db2.gz VAAFRCULJLANAU-LBPRGKRZSA-N 1 2 292.379 1.817 20 30 CDEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC1CC1 ZINC000352806665 526561136 /nfs/dbraw/zinc/56/11/36/526561136.db2.gz VAAFRCULJLANAU-LBPRGKRZSA-N 1 2 292.379 1.817 20 30 CDEDLO C#CCNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000114780619 527008919 /nfs/dbraw/zinc/00/89/19/527008919.db2.gz TZSYNZLOHWJNMV-ZDUSSCGKSA-N 1 2 272.352 1.103 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000347644159 527522204 /nfs/dbraw/zinc/52/22/04/527522204.db2.gz LGLXIQUQPYSDRV-ZFWWWQNUSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000347644159 527522209 /nfs/dbraw/zinc/52/22/09/527522209.db2.gz LGLXIQUQPYSDRV-ZFWWWQNUSA-N 1 2 268.401 1.816 20 30 CDEDLO CCOC(=O)[C@@](C)(O)C[N@H+](CC#N)C1CCCC1 ZINC000354824730 527919297 /nfs/dbraw/zinc/91/92/97/527919297.db2.gz ZQBWCOLYNNHIFV-ZDUSSCGKSA-N 1 2 254.330 1.069 20 30 CDEDLO CCOC(=O)[C@@](C)(O)C[N@@H+](CC#N)C1CCCC1 ZINC000354824730 527919303 /nfs/dbraw/zinc/91/93/03/527919303.db2.gz ZQBWCOLYNNHIFV-ZDUSSCGKSA-N 1 2 254.330 1.069 20 30 CDEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)NC1CCOCC1 ZINC000328624347 538241807 /nfs/dbraw/zinc/24/18/07/538241807.db2.gz ZNOGQHRXNXEXAY-LLVKDONJSA-N 1 2 278.356 1.443 20 30 CDEDLO Cc1cnc([C@H](C)NC(=O)N2CCn3cc[nH+]c3C2)o1 ZINC000329296343 538556265 /nfs/dbraw/zinc/55/62/65/538556265.db2.gz SWHJMZWVLINKQU-JTQLQIEISA-N 1 2 275.312 1.670 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1CCOC1 ZINC000329806851 538663435 /nfs/dbraw/zinc/66/34/35/538663435.db2.gz BHQXQVGDVQONLM-NEPJUHHUSA-N 1 2 256.346 1.090 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@@H]1CCOC1 ZINC000329806851 538663444 /nfs/dbraw/zinc/66/34/44/538663444.db2.gz BHQXQVGDVQONLM-NEPJUHHUSA-N 1 2 256.346 1.090 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CCC[C@@H]2CC)c1=S ZINC000727824298 574600078 /nfs/dbraw/zinc/60/00/78/574600078.db2.gz ISCPPYSVPCAHEL-JTQLQIEISA-N 1 2 253.375 1.827 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CCC[C@@H]2CC)c1=S ZINC000727824298 574600079 /nfs/dbraw/zinc/60/00/79/574600079.db2.gz ISCPPYSVPCAHEL-JTQLQIEISA-N 1 2 253.375 1.827 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3ccco3)CC2)nc1 ZINC000728857707 574657446 /nfs/dbraw/zinc/65/74/46/574657446.db2.gz SZOGKKBSIASDDK-UHFFFAOYSA-N 1 2 295.342 1.614 20 30 CDEDLO C=CC[N@@H+](Cn1nc(C(=O)OC)cc1C(=O)OC)C(C)C ZINC000765678115 576049556 /nfs/dbraw/zinc/04/95/56/576049556.db2.gz RFPRDXIWYPWAHA-UHFFFAOYSA-N 1 2 295.339 1.310 20 30 CDEDLO C=CC[N@H+](Cn1nc(C(=O)OC)cc1C(=O)OC)C(C)C ZINC000765678115 576049557 /nfs/dbraw/zinc/04/95/57/576049557.db2.gz RFPRDXIWYPWAHA-UHFFFAOYSA-N 1 2 295.339 1.310 20 30 CDEDLO C[C@H]1COCCC[N@@H+]1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766634707 576117621 /nfs/dbraw/zinc/11/76/21/576117621.db2.gz YAUFBFYITMCJLY-LBPRGKRZSA-N 1 2 287.363 1.277 20 30 CDEDLO C[C@H]1COCCC[N@H+]1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766634707 576117622 /nfs/dbraw/zinc/11/76/22/576117622.db2.gz YAUFBFYITMCJLY-LBPRGKRZSA-N 1 2 287.363 1.277 20 30 CDEDLO C#CCOc1ccc(C[NH+]2CCN(C(=O)C3CC3)CC2)cc1 ZINC000768193183 576263922 /nfs/dbraw/zinc/26/39/22/576263922.db2.gz DCLRMAAMDQYLOI-UHFFFAOYSA-N 1 2 298.386 1.753 20 30 CDEDLO C=CC[N@@H+](CC(=O)OCC)Cc1ccc2c(c1)nnn2C ZINC000768536798 576294323 /nfs/dbraw/zinc/29/43/23/576294323.db2.gz YGXRIQDRISFKAY-UHFFFAOYSA-N 1 2 288.351 1.519 20 30 CDEDLO C=CC[N@H+](CC(=O)OCC)Cc1ccc2c(c1)nnn2C ZINC000768536798 576294327 /nfs/dbraw/zinc/29/43/27/576294327.db2.gz YGXRIQDRISFKAY-UHFFFAOYSA-N 1 2 288.351 1.519 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(OCC(N)=O)cc1 ZINC000759372343 576384102 /nfs/dbraw/zinc/38/41/02/576384102.db2.gz WHZFAPMSGCOJEI-LLVKDONJSA-N 1 2 261.325 1.285 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(OCC(N)=O)cc1 ZINC000759372343 576384104 /nfs/dbraw/zinc/38/41/04/576384104.db2.gz WHZFAPMSGCOJEI-LLVKDONJSA-N 1 2 261.325 1.285 20 30 CDEDLO COc1ccc(O)c(/C=[NH+]\CCc2ccn(C)n2)c1 ZINC000761016143 576535125 /nfs/dbraw/zinc/53/51/25/576535125.db2.gz UGJHHFCFOBBSEF-GDNBJRDFSA-N 1 2 259.309 1.796 20 30 CDEDLO COCC#CC[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000762925461 576694240 /nfs/dbraw/zinc/69/42/40/576694240.db2.gz GJMVATLJTJYNSR-SJORKVTESA-N 1 2 289.375 1.461 20 30 CDEDLO COCC#CC[N@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000762925461 576694242 /nfs/dbraw/zinc/69/42/42/576694242.db2.gz GJMVATLJTJYNSR-SJORKVTESA-N 1 2 289.375 1.461 20 30 CDEDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N(C)C(C)(C)C#N ZINC000745086502 576715142 /nfs/dbraw/zinc/71/51/42/576715142.db2.gz FYUGBEXOIFCIBZ-LBPRGKRZSA-N 1 2 295.383 1.165 20 30 CDEDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N(C)C(C)(C)C#N ZINC000745086502 576715144 /nfs/dbraw/zinc/71/51/44/576715144.db2.gz FYUGBEXOIFCIBZ-LBPRGKRZSA-N 1 2 295.383 1.165 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnc(CC)nc1 ZINC000747463481 576871359 /nfs/dbraw/zinc/87/13/59/576871359.db2.gz PDGVZEJIWWOFOJ-LBPRGKRZSA-N 1 2 258.325 1.075 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnc(CC)nc1 ZINC000747463481 576871361 /nfs/dbraw/zinc/87/13/61/576871361.db2.gz PDGVZEJIWWOFOJ-LBPRGKRZSA-N 1 2 258.325 1.075 20 30 CDEDLO C#CCNC(=O)C[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000747531911 576874491 /nfs/dbraw/zinc/87/44/91/576874491.db2.gz GAFDQVKMTNRCMI-YUNKPMOVSA-N 1 2 292.404 1.166 20 30 CDEDLO C#CCNC(=O)C[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000747531911 576874492 /nfs/dbraw/zinc/87/44/92/576874492.db2.gz GAFDQVKMTNRCMI-YUNKPMOVSA-N 1 2 292.404 1.166 20 30 CDEDLO C#CC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000754035216 576874562 /nfs/dbraw/zinc/87/45/62/576874562.db2.gz IDFIVMLKHMHXGS-NSHDSACASA-N 1 2 252.264 1.317 20 30 CDEDLO CC[N@H+](CCC#N)C[C@@H](O)c1cc(OC)ccc1OC ZINC000747960396 576890239 /nfs/dbraw/zinc/89/02/39/576890239.db2.gz DTDIIJKNLDEWJA-CQSZACIVSA-N 1 2 278.352 1.973 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@@H](O)c1cc(OC)ccc1OC ZINC000747960396 576890241 /nfs/dbraw/zinc/89/02/41/576890241.db2.gz DTDIIJKNLDEWJA-CQSZACIVSA-N 1 2 278.352 1.973 20 30 CDEDLO C=CCN(CC(=O)OCC)C(=O)CCCn1cc[nH+]c1 ZINC000748635656 576920627 /nfs/dbraw/zinc/92/06/27/576920627.db2.gz CWGJUEFCYGPRJU-UHFFFAOYSA-N 1 2 279.340 1.241 20 30 CDEDLO C=CC[N@@H+](C[C@H]1CC1(Cl)Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000749297793 576942757 /nfs/dbraw/zinc/94/27/57/576942757.db2.gz NCWYLVJANUFIDI-NXEZZACHSA-N 1 2 298.235 1.855 20 30 CDEDLO C=CC[N@H+](C[C@H]1CC1(Cl)Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000749297793 576942758 /nfs/dbraw/zinc/94/27/58/576942758.db2.gz NCWYLVJANUFIDI-NXEZZACHSA-N 1 2 298.235 1.855 20 30 CDEDLO C#CCOCCC(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000756303580 576984735 /nfs/dbraw/zinc/98/47/35/576984735.db2.gz MLDSHCWCKNUJPY-UHFFFAOYSA-N 1 2 284.315 1.955 20 30 CDEDLO CC1CC(C#N)(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000757634119 577047415 /nfs/dbraw/zinc/04/74/15/577047415.db2.gz HRLSRFNVBAXZBK-UHFFFAOYSA-N 1 2 295.346 1.823 20 30 CDEDLO CC(C)[C@@H]1C[N@H+](Cn2cccc(C#N)c2=O)CCS1 ZINC000758233450 577086671 /nfs/dbraw/zinc/08/66/71/577086671.db2.gz XPKJOHKFBZPZFW-ZDUSSCGKSA-N 1 2 277.393 1.751 20 30 CDEDLO CC(C)[C@@H]1C[N@@H+](Cn2cccc(C#N)c2=O)CCS1 ZINC000758233450 577086673 /nfs/dbraw/zinc/08/66/73/577086673.db2.gz XPKJOHKFBZPZFW-ZDUSSCGKSA-N 1 2 277.393 1.751 20 30 CDEDLO C#CCNC(=S)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000758236202 577087641 /nfs/dbraw/zinc/08/76/41/577087641.db2.gz VFXJRWOEUGZODG-GFCCVEGCSA-N 1 2 297.374 1.665 20 30 CDEDLO C=CCN1CCN(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853525472 678352029 /nfs/dbraw/zinc/35/20/29/678352029.db2.gz WNGFNKCBZIBUFE-ZDUSSCGKSA-N 1 2 262.357 1.493 20 30 CDEDLO C=CCN1CCN(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853525472 678352032 /nfs/dbraw/zinc/35/20/32/678352032.db2.gz WNGFNKCBZIBUFE-ZDUSSCGKSA-N 1 2 262.357 1.493 20 30 CDEDLO C[C@H](CC#N)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000820220095 599383851 /nfs/dbraw/zinc/38/38/51/599383851.db2.gz NGROORCXOABISB-MRVPVSSYSA-N 1 2 260.276 1.398 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@]2(C)CCC[C@@H]2C)C1 ZINC001043774834 678374698 /nfs/dbraw/zinc/37/46/98/678374698.db2.gz NPISSUDRRDVTQB-BBRMVZONSA-N 1 2 262.397 1.979 20 30 CDEDLO C[C@H](C#N)C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000824034463 607831432 /nfs/dbraw/zinc/83/14/32/607831432.db2.gz KEKCSEPKOICVIA-LLVKDONJSA-N 1 2 282.351 1.991 20 30 CDEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000824034463 607831433 /nfs/dbraw/zinc/83/14/33/607831433.db2.gz KEKCSEPKOICVIA-LLVKDONJSA-N 1 2 282.351 1.991 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc3[nH]ccc3n2)C1 ZINC000950865186 612992187 /nfs/dbraw/zinc/99/21/87/612992187.db2.gz DMNPNJQYNSHOKN-UHFFFAOYSA-N 1 2 296.374 1.733 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccncc2F)C1 ZINC000949826897 612992332 /nfs/dbraw/zinc/99/23/32/612992332.db2.gz WYNOBSZSWJRLSL-UHFFFAOYSA-N 1 2 275.327 1.390 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cncc(C)c2)C1 ZINC000949836244 612992750 /nfs/dbraw/zinc/99/27/50/612992750.db2.gz ZKNHRGUCVVLFHH-UHFFFAOYSA-N 1 2 271.364 1.560 20 30 CDEDLO C#CC[N@@H+](C)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971571374 613091439 /nfs/dbraw/zinc/09/14/39/613091439.db2.gz WBTFLPMTVPXORO-DTWKUNHWSA-N 1 2 266.238 1.053 20 30 CDEDLO C#CC[N@H+](C)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971571374 613091440 /nfs/dbraw/zinc/09/14/40/613091440.db2.gz WBTFLPMTVPXORO-DTWKUNHWSA-N 1 2 266.238 1.053 20 30 CDEDLO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000971571374 613091442 /nfs/dbraw/zinc/09/14/42/613091442.db2.gz WBTFLPMTVPXORO-DTWKUNHWSA-N 1 2 266.238 1.053 20 30 CDEDLO C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000971571374 613091443 /nfs/dbraw/zinc/09/14/43/613091443.db2.gz WBTFLPMTVPXORO-DTWKUNHWSA-N 1 2 266.238 1.053 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2onc3c2CCCC3)CC1 ZINC000981615034 613160513 /nfs/dbraw/zinc/16/05/13/613160513.db2.gz FCXBHJJUSQCZGT-UHFFFAOYSA-N 1 2 287.363 1.335 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2onc3c2CCCC3)CC1 ZINC000981615034 613160515 /nfs/dbraw/zinc/16/05/15/613160515.db2.gz FCXBHJJUSQCZGT-UHFFFAOYSA-N 1 2 287.363 1.335 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2occc2CC)CC1 ZINC000981890193 613160565 /nfs/dbraw/zinc/16/05/65/613160565.db2.gz UBFDEPAYEZJROQ-UHFFFAOYSA-N 1 2 260.337 1.623 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2occc2CC)CC1 ZINC000981890193 613160568 /nfs/dbraw/zinc/16/05/68/613160568.db2.gz UBFDEPAYEZJROQ-UHFFFAOYSA-N 1 2 260.337 1.623 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2oc(C)cc2C)CC1 ZINC000980926494 613160755 /nfs/dbraw/zinc/16/07/55/613160755.db2.gz KUEONVSYAZSETH-UHFFFAOYSA-N 1 2 260.337 1.678 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2oc(C)cc2C)CC1 ZINC000980926494 613160757 /nfs/dbraw/zinc/16/07/57/613160757.db2.gz KUEONVSYAZSETH-UHFFFAOYSA-N 1 2 260.337 1.678 20 30 CDEDLO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971575342 613290377 /nfs/dbraw/zinc/29/03/77/613290377.db2.gz DHNQXWVBWVABQW-UWVGGRQHSA-N 1 2 282.281 1.996 20 30 CDEDLO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971575342 613290378 /nfs/dbraw/zinc/29/03/78/613290378.db2.gz DHNQXWVBWVABQW-UWVGGRQHSA-N 1 2 282.281 1.996 20 30 CDEDLO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000971575342 613290379 /nfs/dbraw/zinc/29/03/79/613290379.db2.gz DHNQXWVBWVABQW-UWVGGRQHSA-N 1 2 282.281 1.996 20 30 CDEDLO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000971575342 613290380 /nfs/dbraw/zinc/29/03/80/613290380.db2.gz DHNQXWVBWVABQW-UWVGGRQHSA-N 1 2 282.281 1.996 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCO[C@@H]2C)C1 ZINC000949966461 613294763 /nfs/dbraw/zinc/29/47/63/613294763.db2.gz VMDWDGVSSQPMQA-UKRRQHHQSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCO[C@@H]2C)C1 ZINC000949966460 613295510 /nfs/dbraw/zinc/29/55/10/613295510.db2.gz VMDWDGVSSQPMQA-HIFRSBDPSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2[nH]c(C)nc2C)C1 ZINC000951776239 613295848 /nfs/dbraw/zinc/29/58/48/613295848.db2.gz AXUJHOURHJMNFR-UHFFFAOYSA-N 1 2 276.384 1.749 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cccn2C)C1 ZINC000949684189 613296904 /nfs/dbraw/zinc/29/69/04/613296904.db2.gz JCHZLZCWFOWTRL-UHFFFAOYSA-N 1 2 261.369 1.748 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2oc(CC)nc2C)CC1 ZINC000957073615 613322140 /nfs/dbraw/zinc/32/21/40/613322140.db2.gz BHTVHZJKPAKHSJ-UHFFFAOYSA-N 1 2 277.368 1.879 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@H]2CCOC2)CC1 ZINC000980875801 613373293 /nfs/dbraw/zinc/37/32/93/613373293.db2.gz FQKMVBGJZUVAKD-CYBMUJFWSA-N 1 2 286.803 1.700 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@H]2CCOC2)CC1 ZINC000980875801 613373294 /nfs/dbraw/zinc/37/32/94/613373294.db2.gz FQKMVBGJZUVAKD-CYBMUJFWSA-N 1 2 286.803 1.700 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2OCC)CC1 ZINC000980748256 613373650 /nfs/dbraw/zinc/37/36/50/613373650.db2.gz GOIIDMQMVBSCDT-CHWSQXEVSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2OCC)CC1 ZINC000980748256 613373651 /nfs/dbraw/zinc/37/36/51/613373651.db2.gz GOIIDMQMVBSCDT-CHWSQXEVSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ccco2)[C@H](O)C1 ZINC000957783853 613380328 /nfs/dbraw/zinc/38/03/28/613380328.db2.gz NHXPGOWTZJMTSG-GHMZBOCLSA-N 1 2 284.743 1.055 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2ccco2)[C@H](O)C1 ZINC000957783853 613380329 /nfs/dbraw/zinc/38/03/29/613380329.db2.gz NHXPGOWTZJMTSG-GHMZBOCLSA-N 1 2 284.743 1.055 20 30 CDEDLO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000970066511 613385673 /nfs/dbraw/zinc/38/56/73/613385673.db2.gz VVVNHQPWQLKWEI-LLVKDONJSA-N 1 2 294.786 1.844 20 30 CDEDLO O=C(CCc1[nH]cc[nH+]1)NCC#C[C@H]1CCCCO1 ZINC000891124001 617367894 /nfs/dbraw/zinc/36/78/94/617367894.db2.gz ZSCMNOYJLTYAAF-GFCCVEGCSA-N 1 2 261.325 1.031 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000950025383 613562556 /nfs/dbraw/zinc/56/25/56/613562556.db2.gz XPZHKRNNUKENNE-KGLIPLIRSA-N 1 2 264.369 1.112 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2CCC(C)(C)CO2)CC1 ZINC000949358063 613562753 /nfs/dbraw/zinc/56/27/53/613562753.db2.gz YYFGBONWUHZLJS-HNNXBMFYSA-N 1 2 292.423 1.749 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC3(C)CC3)C2)C1 ZINC000972469973 613570833 /nfs/dbraw/zinc/57/08/33/613570833.db2.gz QGCRKEBCIKYQKZ-QGZVFWFLSA-N 1 2 290.407 1.503 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)CC3(C)CC3)C2)C1 ZINC000972469973 613570834 /nfs/dbraw/zinc/57/08/34/613570834.db2.gz QGCRKEBCIKYQKZ-QGZVFWFLSA-N 1 2 290.407 1.503 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2c(CC)noc2CC)CC1 ZINC000948804605 613709281 /nfs/dbraw/zinc/70/92/81/613709281.db2.gz FVIGISOJTREGRS-UHFFFAOYSA-N 1 2 291.395 1.672 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2c(C)cc(C)[nH]c2=O)CC1 ZINC000949817151 613709494 /nfs/dbraw/zinc/70/94/94/613709494.db2.gz RNMIYZJBYVLRJH-UHFFFAOYSA-N 1 2 289.379 1.277 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC000950433523 613712847 /nfs/dbraw/zinc/71/28/47/613712847.db2.gz JISRDRSAHXABKY-LBPRGKRZSA-N 1 2 274.368 1.160 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc3occc3[nH]2)CC1 ZINC000948601942 613715766 /nfs/dbraw/zinc/71/57/66/613715766.db2.gz XCFLCCZIKLCYKQ-UHFFFAOYSA-N 1 2 259.309 1.705 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccn3ccnc23)CC1 ZINC000951731184 613717540 /nfs/dbraw/zinc/71/75/40/613717540.db2.gz VTGUILFZNXZYJS-UHFFFAOYSA-N 1 2 270.336 1.278 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc(C3CC3)[nH]c2=O)CC1 ZINC000951372180 613717954 /nfs/dbraw/zinc/71/79/54/613717954.db2.gz KXDMXEPPGBHVKE-UHFFFAOYSA-N 1 2 288.351 1.003 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc3[nH]c(C)nc3c2)CC1 ZINC000948698963 613718214 /nfs/dbraw/zinc/71/82/14/613718214.db2.gz ZYAHBZKUUYOFJZ-UHFFFAOYSA-N 1 2 285.351 1.210 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)C3CC3)C2)C1 ZINC000972695814 613723271 /nfs/dbraw/zinc/72/32/71/613723271.db2.gz UULLVMQUYFWQRU-PBHICJAKSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)C3CC3)C2)C1 ZINC000972695814 613723275 /nfs/dbraw/zinc/72/32/75/613723275.db2.gz UULLVMQUYFWQRU-PBHICJAKSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@]34C[C@H]3CCC4)C2)C1 ZINC000972472313 613723520 /nfs/dbraw/zinc/72/35/20/613723520.db2.gz VJPLSUZXGZKTNK-HYVNUMGLSA-N 1 2 290.407 1.666 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@]34C[C@H]3CCC4)C2)C1 ZINC000972472313 613723524 /nfs/dbraw/zinc/72/35/24/613723524.db2.gz VJPLSUZXGZKTNK-HYVNUMGLSA-N 1 2 290.407 1.666 20 30 CDEDLO Cn1nccc1[C@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000933526338 617481082 /nfs/dbraw/zinc/48/10/82/617481082.db2.gz ICCMJKRKGNGGHI-MRXNPFEDSA-N 1 2 282.347 1.865 20 30 CDEDLO Cn1nccc1[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000933526338 617481086 /nfs/dbraw/zinc/48/10/86/617481086.db2.gz ICCMJKRKGNGGHI-MRXNPFEDSA-N 1 2 282.347 1.865 20 30 CDEDLO COCC(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000980577705 616561443 /nfs/dbraw/zinc/56/14/43/616561443.db2.gz SYXDMPSREOXXJG-UHFFFAOYSA-N 1 2 287.363 1.239 20 30 CDEDLO COCC(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000980577705 616561444 /nfs/dbraw/zinc/56/14/44/616561444.db2.gz SYXDMPSREOXXJG-UHFFFAOYSA-N 1 2 287.363 1.239 20 30 CDEDLO COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]C[C@H](C)C#N ZINC000893543662 618079637 /nfs/dbraw/zinc/07/96/37/618079637.db2.gz DUXUBZRDSCATHL-VXGBXAGGSA-N 1 2 276.336 1.876 20 30 CDEDLO Cc1nc(NCc2cccc(C(=O)NO)c2)cc[nH+]1 ZINC000782171703 618044006 /nfs/dbraw/zinc/04/40/06/618044006.db2.gz LFSORKWRODECIO-UHFFFAOYSA-N 1 2 258.281 1.516 20 30 CDEDLO C=CCC[C@@H]1NC(=O)N([C@H]2CCn3cc[nH+]c3C2)C1=O ZINC000927653678 618428523 /nfs/dbraw/zinc/42/85/23/618428523.db2.gz JQGRACQYJKKENE-QWRGUYRKSA-N 1 2 274.324 1.085 20 30 CDEDLO N#CCC(=O)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000895065938 619252481 /nfs/dbraw/zinc/25/24/81/619252481.db2.gz JSQPXLUYOGCUEB-UHFFFAOYSA-N 1 2 293.754 1.603 20 30 CDEDLO C=C1CCC(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000896044315 619962530 /nfs/dbraw/zinc/96/25/30/619962530.db2.gz YMYPRAWVSFADQO-CYBMUJFWSA-N 1 2 266.385 1.570 20 30 CDEDLO C=C1CCC(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000896044315 619962535 /nfs/dbraw/zinc/96/25/35/619962535.db2.gz YMYPRAWVSFADQO-CYBMUJFWSA-N 1 2 266.385 1.570 20 30 CDEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCC2(C#N)CCC2)[nH]n1 ZINC000897991885 621275739 /nfs/dbraw/zinc/27/57/39/621275739.db2.gz NMWAWHRWPPPWNF-CYBMUJFWSA-N 1 2 287.367 1.600 20 30 CDEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCC2(C#N)CCC2)[nH]n1 ZINC000897991885 621275744 /nfs/dbraw/zinc/27/57/44/621275744.db2.gz NMWAWHRWPPPWNF-CYBMUJFWSA-N 1 2 287.367 1.600 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N[C@H](Cn1cc[nH+]c1)C(=O)OC ZINC000898081527 621320390 /nfs/dbraw/zinc/32/03/90/621320390.db2.gz JEVZSNIDZFMVOM-NWDGAFQWSA-N 1 2 279.340 1.143 20 30 CDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898504255 621780916 /nfs/dbraw/zinc/78/09/16/621780916.db2.gz PKBRDRPKLHRELD-ILXRZTDVSA-N 1 2 298.402 1.908 20 30 CDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898504255 621780920 /nfs/dbraw/zinc/78/09/20/621780920.db2.gz PKBRDRPKLHRELD-ILXRZTDVSA-N 1 2 298.402 1.908 20 30 CDEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC000900711647 623393795 /nfs/dbraw/zinc/39/37/95/623393795.db2.gz PNFMBUNDTRHKSS-CQSZACIVSA-N 1 2 298.346 1.950 20 30 CDEDLO CC(C)n1c[nH+]cc1/C=C1\C(=O)c2ncnn2[C@@H]1C ZINC000905086087 626603157 /nfs/dbraw/zinc/60/31/57/626603157.db2.gz RAJROVIJKHMENH-BUBXLPKJSA-N 1 2 257.297 1.896 20 30 CDEDLO C=CC[C@@H](C)NC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906725343 627398734 /nfs/dbraw/zinc/39/87/34/627398734.db2.gz QVZKXXUMUINAHZ-CQSZACIVSA-N 1 2 291.395 1.515 20 30 CDEDLO C[C@H](CNC(=O)c1ccsc1C#N)Cn1cc[nH+]c1 ZINC000906765091 627403991 /nfs/dbraw/zinc/40/39/91/627403991.db2.gz CTZJSEGYBQVYIA-SNVBAGLBSA-N 1 2 274.349 1.882 20 30 CDEDLO N#CCCNC(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000027357197 627985470 /nfs/dbraw/zinc/98/54/70/627985470.db2.gz YOXXHLHUFLRLRX-KRWDZBQOSA-N 1 2 294.358 1.790 20 30 CDEDLO C#CCNC(=O)Cn1c2ccccc2[nH+]c1NCCCC ZINC000915669800 631792988 /nfs/dbraw/zinc/79/29/88/631792988.db2.gz TWUOUQXDEIWYPQ-UHFFFAOYSA-N 1 2 284.363 1.998 20 30 CDEDLO N#Cc1cccc(OCC(=O)NCCNc2cccc[nH+]2)c1 ZINC000920438313 632787753 /nfs/dbraw/zinc/78/77/53/632787753.db2.gz AFDMJFQOLCXTSL-UHFFFAOYSA-N 1 2 296.330 1.560 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2c(C)nsc2C)CC1 ZINC000989754618 679222017 /nfs/dbraw/zinc/22/20/17/679222017.db2.gz UCBBILJPJMMKLU-UHFFFAOYSA-N 1 2 277.393 1.541 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2c(C)nsc2C)CC1 ZINC000989754618 679222020 /nfs/dbraw/zinc/22/20/20/679222020.db2.gz UCBBILJPJMMKLU-UHFFFAOYSA-N 1 2 277.393 1.541 20 30 CDEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)C(F)(F)F ZINC001017573926 679449825 /nfs/dbraw/zinc/44/98/25/679449825.db2.gz XZEICVGHQKMAQA-AXFHLTTASA-N 1 2 292.276 1.585 20 30 CDEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)C(F)(F)F ZINC001017573926 679449828 /nfs/dbraw/zinc/44/98/28/679449828.db2.gz XZEICVGHQKMAQA-AXFHLTTASA-N 1 2 292.276 1.585 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccn[nH]3)[C@@H]2C1 ZINC001049983087 677716938 /nfs/dbraw/zinc/71/69/38/677716938.db2.gz DJZGZIGKOXDUDH-WCQYABFASA-N 1 2 294.786 1.699 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccn[nH]3)[C@@H]2C1 ZINC001049983087 677716942 /nfs/dbraw/zinc/71/69/42/677716942.db2.gz DJZGZIGKOXDUDH-WCQYABFASA-N 1 2 294.786 1.699 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc[nH]n3)[C@@H]2C1 ZINC001049983087 677716945 /nfs/dbraw/zinc/71/69/45/677716945.db2.gz DJZGZIGKOXDUDH-WCQYABFASA-N 1 2 294.786 1.699 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc[nH]n3)[C@@H]2C1 ZINC001049983087 677716946 /nfs/dbraw/zinc/71/69/46/677716946.db2.gz DJZGZIGKOXDUDH-WCQYABFASA-N 1 2 294.786 1.699 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)OCCn1cc[nH+]c1 ZINC000782450102 677773953 /nfs/dbraw/zinc/77/39/53/677773953.db2.gz SOIRAYSWBRBGES-CYBMUJFWSA-N 1 2 252.314 1.655 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cn(CC)nn2)C1 ZINC001033548192 677810728 /nfs/dbraw/zinc/81/07/28/677810728.db2.gz HAUYBCGFJBYLAF-NSHDSACASA-N 1 2 297.790 1.197 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cn(CC)nn2)C1 ZINC001033548192 677810729 /nfs/dbraw/zinc/81/07/29/677810729.db2.gz HAUYBCGFJBYLAF-NSHDSACASA-N 1 2 297.790 1.197 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2ccccc2)C1 ZINC001043114329 677857009 /nfs/dbraw/zinc/85/70/09/677857009.db2.gz XUTOKIKSCVGZOS-UHFFFAOYSA-N 1 2 258.365 1.948 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C=C(C)C)C[C@H]21 ZINC001074155000 677867612 /nfs/dbraw/zinc/86/76/12/677867612.db2.gz NCCHDGVKOQODDA-CABCVRRESA-N 1 2 276.380 1.278 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C=C(C)C)C[C@H]21 ZINC001074155000 677867617 /nfs/dbraw/zinc/86/76/17/677867617.db2.gz NCCHDGVKOQODDA-CABCVRRESA-N 1 2 276.380 1.278 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnsn2)C1 ZINC001046157021 677870870 /nfs/dbraw/zinc/87/08/70/677870870.db2.gz UDERHFYXGUZALA-NSHDSACASA-N 1 2 286.788 1.485 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnsn2)C1 ZINC001046157021 677870872 /nfs/dbraw/zinc/87/08/72/677870872.db2.gz UDERHFYXGUZALA-NSHDSACASA-N 1 2 286.788 1.485 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001007027408 677871942 /nfs/dbraw/zinc/87/19/42/677871942.db2.gz NNCVPFRETDXLGJ-LLVKDONJSA-N 1 2 295.770 1.734 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001007027408 677871946 /nfs/dbraw/zinc/87/19/46/677871946.db2.gz NNCVPFRETDXLGJ-LLVKDONJSA-N 1 2 295.770 1.734 20 30 CDEDLO C=CCC1(O)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000924438141 677878653 /nfs/dbraw/zinc/87/86/53/677878653.db2.gz WZTCXGIYNYFJHN-UHFFFAOYSA-N 1 2 263.341 1.190 20 30 CDEDLO C#Cc1ccc(C[N@@H+](C)[C@H](C)CS(C)(=O)=O)cc1 ZINC000787772144 677900410 /nfs/dbraw/zinc/90/04/10/677900410.db2.gz YGTADGRDZKKXAG-GFCCVEGCSA-N 1 2 265.378 1.533 20 30 CDEDLO C#Cc1ccc(C[N@H+](C)[C@H](C)CS(C)(=O)=O)cc1 ZINC000787772144 677900411 /nfs/dbraw/zinc/90/04/11/677900411.db2.gz YGTADGRDZKKXAG-GFCCVEGCSA-N 1 2 265.378 1.533 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1OCCc2ccccc21 ZINC001038583986 678003773 /nfs/dbraw/zinc/00/37/73/678003773.db2.gz BBLYGSGDDNRGGA-NVXWUHKLSA-N 1 2 298.386 1.514 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1OCCc2ccccc21 ZINC001038583986 678003776 /nfs/dbraw/zinc/00/37/76/678003776.db2.gz BBLYGSGDDNRGGA-NVXWUHKLSA-N 1 2 298.386 1.514 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc(NC(N)=O)c2)C1 ZINC001031369845 678040780 /nfs/dbraw/zinc/04/07/80/678040780.db2.gz IDSNOADVAYVBQI-UHFFFAOYSA-N 1 2 288.351 1.167 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(C)(C)C)on1 ZINC001038495095 678008506 /nfs/dbraw/zinc/00/85/06/678008506.db2.gz DVVIBAPZMDBAGG-NSHDSACASA-N 1 2 277.368 1.962 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(C)(C)C)on1 ZINC001038495095 678008510 /nfs/dbraw/zinc/00/85/10/678008510.db2.gz DVVIBAPZMDBAGG-NSHDSACASA-N 1 2 277.368 1.962 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)NCCC#N)CC2(CCCC2)O1 ZINC000830832707 678040821 /nfs/dbraw/zinc/04/08/21/678040821.db2.gz OFQYFQZVWYEZEL-GFCCVEGCSA-N 1 2 265.357 1.050 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)NCCC#N)CC2(CCCC2)O1 ZINC000830832707 678040822 /nfs/dbraw/zinc/04/08/22/678040822.db2.gz OFQYFQZVWYEZEL-GFCCVEGCSA-N 1 2 265.357 1.050 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnc(C)s2)C1 ZINC001035310541 678040974 /nfs/dbraw/zinc/04/09/74/678040974.db2.gz PQRXJFRPORWJCO-LBPRGKRZSA-N 1 2 295.408 1.458 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnc(C)s2)C1 ZINC001035310541 678040977 /nfs/dbraw/zinc/04/09/77/678040977.db2.gz PQRXJFRPORWJCO-LBPRGKRZSA-N 1 2 295.408 1.458 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1N(C)C ZINC001032780225 678039541 /nfs/dbraw/zinc/03/95/41/678039541.db2.gz YQQZKTHHRCOCKU-KBPBESRZSA-N 1 2 298.390 1.070 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1N(C)C ZINC001032780225 678039543 /nfs/dbraw/zinc/03/95/43/678039543.db2.gz YQQZKTHHRCOCKU-KBPBESRZSA-N 1 2 298.390 1.070 20 30 CDEDLO C[C@H]1[C@@H](NCC#N)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC000986541750 678055073 /nfs/dbraw/zinc/05/50/73/678055073.db2.gz BYUHCTPBAQKPSS-RYUDHWBXSA-N 1 2 283.335 1.050 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001009579592 678082605 /nfs/dbraw/zinc/08/26/05/678082605.db2.gz PBTKBICKZOKJBQ-CYBMUJFWSA-N 1 2 291.420 1.977 20 30 CDEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001009579592 678082609 /nfs/dbraw/zinc/08/26/09/678082609.db2.gz PBTKBICKZOKJBQ-CYBMUJFWSA-N 1 2 291.420 1.977 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001033435761 678148599 /nfs/dbraw/zinc/14/85/99/678148599.db2.gz DJQBSUSTEPDWIA-FRRDWIJNSA-N 1 2 286.803 1.839 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001033435761 678148603 /nfs/dbraw/zinc/14/86/03/678148603.db2.gz DJQBSUSTEPDWIA-FRRDWIJNSA-N 1 2 286.803 1.839 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1C[C@H]1C)CCO2 ZINC001053411572 678117420 /nfs/dbraw/zinc/11/74/20/678117420.db2.gz LASWKDCNLUTNNS-KGLIPLIRSA-N 1 2 278.396 1.522 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3c(c2)CCC3)C1 ZINC001044282240 678150617 /nfs/dbraw/zinc/15/06/17/678150617.db2.gz NKGJSNFFMIYXRF-UHFFFAOYSA-N 1 2 282.387 1.955 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2c(C)nnn2CC)C1 ZINC001031726741 678148004 /nfs/dbraw/zinc/14/80/04/678148004.db2.gz KGFYRALYIMQCCG-UHFFFAOYSA-N 1 2 297.790 1.021 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cn[nH]c2)[C@@H]1C ZINC000993074236 678101038 /nfs/dbraw/zinc/10/10/38/678101038.db2.gz WPLKLJAVOLXPIG-CMPLNLGQSA-N 1 2 282.775 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn[nH]c2)[C@@H]1C ZINC000993074236 678101039 /nfs/dbraw/zinc/10/10/39/678101039.db2.gz WPLKLJAVOLXPIG-CMPLNLGQSA-N 1 2 282.775 1.745 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCO[C@H](CCC)C2)C1 ZINC001044098715 678158936 /nfs/dbraw/zinc/15/89/36/678158936.db2.gz WVRBKYUTEMHPPB-DZGCQCFKSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C)ncn2)C1 ZINC001042623335 678200357 /nfs/dbraw/zinc/20/03/57/678200357.db2.gz OAOAESWBWPHRNS-UHFFFAOYSA-N 1 2 260.341 1.117 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NCC1(CO)COC1 ZINC000853454612 678217907 /nfs/dbraw/zinc/21/79/07/678217907.db2.gz HPECCJFRYUNWMC-UHFFFAOYSA-N 1 2 276.336 1.295 20 30 CDEDLO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cn[nH]n1 ZINC001054047260 679667069 /nfs/dbraw/zinc/66/70/69/679667069.db2.gz YALMIRWMJUKJPQ-CQSZACIVSA-N 1 2 297.362 1.147 20 30 CDEDLO C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cn[nH]n1 ZINC001054047260 679667071 /nfs/dbraw/zinc/66/70/71/679667071.db2.gz YALMIRWMJUKJPQ-CQSZACIVSA-N 1 2 297.362 1.147 20 30 CDEDLO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnns1 ZINC001024340282 679668774 /nfs/dbraw/zinc/66/87/74/679668774.db2.gz YLXFNAWIMBASPZ-LLVKDONJSA-N 1 2 278.381 1.146 20 30 CDEDLO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cnns1 ZINC001024340282 679668776 /nfs/dbraw/zinc/66/87/76/679668776.db2.gz YLXFNAWIMBASPZ-LLVKDONJSA-N 1 2 278.381 1.146 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001051194904 679677071 /nfs/dbraw/zinc/67/70/71/679677071.db2.gz OBKIQSJNPTZMMH-HUUCEWRRSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001051194904 679677074 /nfs/dbraw/zinc/67/70/74/679677074.db2.gz OBKIQSJNPTZMMH-HUUCEWRRSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CC23CCOCC3)C1 ZINC001044379469 679691915 /nfs/dbraw/zinc/69/19/15/679691915.db2.gz LHNFXVDWMLRGNR-CYBMUJFWSA-N 1 2 264.369 1.132 20 30 CDEDLO C#CC[C@@H]([NH2+]CC1Cc2ccccc2C1)C(=O)OC ZINC000839168352 679695607 /nfs/dbraw/zinc/69/56/07/679695607.db2.gz LIRNSDSGFKBRKV-OAHLLOKOSA-N 1 2 257.333 1.556 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)oc1C ZINC001032273697 677740166 /nfs/dbraw/zinc/74/01/66/677740166.db2.gz POXNMWBKAYAZSE-KBPBESRZSA-N 1 2 272.348 1.818 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)oc1C ZINC001032273697 677740170 /nfs/dbraw/zinc/74/01/70/677740170.db2.gz POXNMWBKAYAZSE-KBPBESRZSA-N 1 2 272.348 1.818 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cncs1)O2 ZINC001053576905 677750311 /nfs/dbraw/zinc/75/03/11/677750311.db2.gz YBBZCZKIBPGJQY-LLVKDONJSA-N 1 2 293.392 1.292 20 30 CDEDLO CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCN(CC#N)C1 ZINC001033874627 677783203 /nfs/dbraw/zinc/78/32/03/677783203.db2.gz CKHHSFKEYVOVBB-ZDUSSCGKSA-N 1 2 297.362 1.623 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(C(=O)NCC(C)C)CC1 ZINC000800328911 677846443 /nfs/dbraw/zinc/84/64/43/677846443.db2.gz XAQGSSILYAQUJW-CYBMUJFWSA-N 1 2 282.384 1.198 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2cccc(CC)c2)C1 ZINC001030544293 677876670 /nfs/dbraw/zinc/87/66/70/677876670.db2.gz HXAAPSWPPDKTBY-UHFFFAOYSA-N 1 2 270.376 1.615 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCCC1(F)F ZINC001032540302 677916124 /nfs/dbraw/zinc/91/61/24/677916124.db2.gz ZAIDCIPOCTYALD-AVGNSLFASA-N 1 2 282.334 1.730 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCCC1(F)F ZINC001032540302 677916129 /nfs/dbraw/zinc/91/61/29/677916129.db2.gz ZAIDCIPOCTYALD-AVGNSLFASA-N 1 2 282.334 1.730 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C)c1C ZINC001038981061 678042989 /nfs/dbraw/zinc/04/29/89/678042989.db2.gz FTGQUXCXYRUBNR-CQSZACIVSA-N 1 2 256.349 1.741 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C)c1C ZINC001038981061 678042993 /nfs/dbraw/zinc/04/29/93/678042993.db2.gz FTGQUXCXYRUBNR-CQSZACIVSA-N 1 2 256.349 1.741 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001038822202 678048691 /nfs/dbraw/zinc/04/86/91/678048691.db2.gz IMUKNFVTVQUEFR-DOMZBBRYSA-N 1 2 284.359 1.447 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001038822202 678048693 /nfs/dbraw/zinc/04/86/93/678048693.db2.gz IMUKNFVTVQUEFR-DOMZBBRYSA-N 1 2 284.359 1.447 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1CCCC1)CCO2 ZINC001053123202 678064933 /nfs/dbraw/zinc/06/49/33/678064933.db2.gz MZZFKZSRQRREEB-UHFFFAOYSA-N 1 2 278.396 1.666 20 30 CDEDLO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000783294428 678071439 /nfs/dbraw/zinc/07/14/39/678071439.db2.gz QHSAFPGXWVVXIE-LLVKDONJSA-N 1 2 253.309 1.903 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cncnc2C(C)C)C1 ZINC001044304713 678081456 /nfs/dbraw/zinc/08/14/56/678081456.db2.gz QKOXBFPZFMQPAI-UHFFFAOYSA-N 1 2 286.379 1.380 20 30 CDEDLO CC(C)Cc1noc(CO[NH+]=C(N)Cc2cccnc2)n1 ZINC000137639743 678150032 /nfs/dbraw/zinc/15/00/32/678150032.db2.gz FVENWOWOSHBDTM-UHFFFAOYSA-N 1 2 289.339 1.695 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(COC)c1 ZINC001032504442 678157900 /nfs/dbraw/zinc/15/79/00/678157900.db2.gz YHHDGQKBUWQQAC-IRXDYDNUSA-N 1 2 298.386 1.755 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(COC)c1 ZINC001032504442 678157901 /nfs/dbraw/zinc/15/79/01/678157901.db2.gz YHHDGQKBUWQQAC-IRXDYDNUSA-N 1 2 298.386 1.755 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCC[C@H]1CCCC ZINC000884122794 678185117 /nfs/dbraw/zinc/18/51/17/678185117.db2.gz ZMCHVFHHRSKSDV-RDBSUJKOSA-N 1 2 296.411 1.908 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C(C)C)cn1 ZINC001032539662 678207366 /nfs/dbraw/zinc/20/73/66/678207366.db2.gz XHBBXQOBYYFMSO-KBPBESRZSA-N 1 2 286.379 1.386 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C(C)C)cn1 ZINC001032539662 678207367 /nfs/dbraw/zinc/20/73/67/678207367.db2.gz XHBBXQOBYYFMSO-KBPBESRZSA-N 1 2 286.379 1.386 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC001035603818 678207536 /nfs/dbraw/zinc/20/75/36/678207536.db2.gz WNCOWLSQTIFJFL-AWEZNQCLSA-N 1 2 299.374 1.785 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC001035603818 678207539 /nfs/dbraw/zinc/20/75/39/678207539.db2.gz WNCOWLSQTIFJFL-AWEZNQCLSA-N 1 2 299.374 1.785 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2cc(-c3ccncc3)on2)C1 ZINC001030872434 678233604 /nfs/dbraw/zinc/23/36/04/678233604.db2.gz PRUXSLZZXRYKAJ-UHFFFAOYSA-N 1 2 298.346 1.727 20 30 CDEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC001051970913 678249504 /nfs/dbraw/zinc/24/95/04/678249504.db2.gz AZEYVAHEEMWLND-KRWDZBQOSA-N 1 2 297.402 1.152 20 30 CDEDLO N#C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCCC1 ZINC000921547188 678253736 /nfs/dbraw/zinc/25/37/36/678253736.db2.gz IWIGOSZNDHNGMC-GXTWGEPZSA-N 1 2 272.352 1.644 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c[nH]c(=O)cc2C)C1 ZINC001030933890 678259686 /nfs/dbraw/zinc/25/96/86/678259686.db2.gz WDJLQGNDZFAPCD-UHFFFAOYSA-N 1 2 261.325 1.086 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C(C)(C)[C@@H]2CCCCO2)C1 ZINC001030327352 678267244 /nfs/dbraw/zinc/26/72/44/678267244.db2.gz VQSIYWFFQFRUHA-AWEZNQCLSA-N 1 2 278.396 1.405 20 30 CDEDLO C#Cc1cnc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)nc1 ZINC000827760954 678286009 /nfs/dbraw/zinc/28/60/09/678286009.db2.gz NUZAGWRYXROAPP-JSGCOSHPSA-N 1 2 267.336 1.742 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000859151334 678294574 /nfs/dbraw/zinc/29/45/74/678294574.db2.gz ARSKZJJVCYMOHR-OAHLLOKOSA-N 1 2 276.311 1.954 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000859151334 678294576 /nfs/dbraw/zinc/29/45/76/678294576.db2.gz ARSKZJJVCYMOHR-OAHLLOKOSA-N 1 2 276.311 1.954 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2cc(C)ccc2n1 ZINC001038503162 678330550 /nfs/dbraw/zinc/33/05/50/678330550.db2.gz VKFLEWAZPFRKMO-OAHLLOKOSA-N 1 2 293.370 1.981 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2cc(C)ccc2n1 ZINC001038503162 678330562 /nfs/dbraw/zinc/33/05/62/678330562.db2.gz VKFLEWAZPFRKMO-OAHLLOKOSA-N 1 2 293.370 1.981 20 30 CDEDLO CCN(CC)c1ccnc(N=NCc2c[nH+]cn2CC)n1 ZINC000841629482 678336239 /nfs/dbraw/zinc/33/62/39/678336239.db2.gz VRTJFBFXRWAJTH-UHFFFAOYSA-N 1 2 287.371 1.985 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1C[C@H](C)C[C@@H](C)C1 ZINC000884401189 678362559 /nfs/dbraw/zinc/36/25/59/678362559.db2.gz HIOWWJVHVSMDCT-BZPMIXESSA-N 1 2 296.411 1.622 20 30 CDEDLO N#CCN1CCCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001034310146 678375550 /nfs/dbraw/zinc/37/55/50/678375550.db2.gz QTSBWZVATICRBX-CYBMUJFWSA-N 1 2 297.362 1.442 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(F)F)CC2)s1 ZINC000980591020 678377555 /nfs/dbraw/zinc/37/75/55/678377555.db2.gz QSLVGQAEEFHVPE-UHFFFAOYSA-N 1 2 299.346 1.919 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(F)F)CC2)s1 ZINC000980591020 678377559 /nfs/dbraw/zinc/37/75/59/678377559.db2.gz QSLVGQAEEFHVPE-UHFFFAOYSA-N 1 2 299.346 1.919 20 30 CDEDLO CCc1ccc(C#CC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000816202817 678378476 /nfs/dbraw/zinc/37/84/76/678378476.db2.gz JMWRWWZNXVZGIN-MRXNPFEDSA-N 1 2 293.370 1.928 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@@H+](CC)[C@H]3C2)cc1 ZINC001074312218 678418608 /nfs/dbraw/zinc/41/86/08/678418608.db2.gz JIGKNOBSNQDEEM-DLBZAZTESA-N 1 2 298.386 1.603 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@H+](CC)[C@H]3C2)cc1 ZINC001074312218 678418611 /nfs/dbraw/zinc/41/86/11/678418611.db2.gz JIGKNOBSNQDEEM-DLBZAZTESA-N 1 2 298.386 1.603 20 30 CDEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](F)C(C)C)C2)CC1 ZINC001052067796 678419194 /nfs/dbraw/zinc/41/91/94/678419194.db2.gz OIYYKARRLYSNKM-GJZGRUSLSA-N 1 2 297.418 1.385 20 30 CDEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)c1ccc[nH]1 ZINC001038052155 678431215 /nfs/dbraw/zinc/43/12/15/678431215.db2.gz OCMULFHFDCTASQ-MRXNPFEDSA-N 1 2 293.370 1.871 20 30 CDEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)c1ccc[nH]1 ZINC001038052155 678431216 /nfs/dbraw/zinc/43/12/16/678431216.db2.gz OCMULFHFDCTASQ-MRXNPFEDSA-N 1 2 293.370 1.871 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C(CC)CC)C[C@@H]21 ZINC001074171610 678438911 /nfs/dbraw/zinc/43/89/11/678438911.db2.gz WEJPWOLULMJUPZ-HOTGVXAUSA-N 1 2 292.423 1.748 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(CC)CC)C[C@@H]21 ZINC001074171610 678438914 /nfs/dbraw/zinc/43/89/14/678438914.db2.gz WEJPWOLULMJUPZ-HOTGVXAUSA-N 1 2 292.423 1.748 20 30 CDEDLO COc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)c(OC)c1 ZINC000819397537 678439618 /nfs/dbraw/zinc/43/96/18/678439618.db2.gz DPFQIFVSBUOCRY-GFCCVEGCSA-N 1 2 293.367 1.322 20 30 CDEDLO COc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c(OC)c1 ZINC000819397537 678439620 /nfs/dbraw/zinc/43/96/20/678439620.db2.gz DPFQIFVSBUOCRY-GFCCVEGCSA-N 1 2 293.367 1.322 20 30 CDEDLO C=C(CNC(=O)NCc1c[nH+]cn1C)c1ccccc1 ZINC000359655622 678459132 /nfs/dbraw/zinc/45/91/32/678459132.db2.gz VNAZWCBOHGWYFI-UHFFFAOYSA-N 1 2 270.336 1.933 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1occc1C ZINC001017921745 678505553 /nfs/dbraw/zinc/50/55/53/678505553.db2.gz FYZYKJQJEOIVKK-GASCZTMLSA-N 1 2 286.375 1.829 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1occc1C ZINC001017921745 678505558 /nfs/dbraw/zinc/50/55/58/678505558.db2.gz FYZYKJQJEOIVKK-GASCZTMLSA-N 1 2 286.375 1.829 20 30 CDEDLO C=C[C@H](O)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000816835357 678537246 /nfs/dbraw/zinc/53/72/46/678537246.db2.gz CKVOYQXCPFSDCS-PWSUYJOCSA-N 1 2 295.408 1.860 20 30 CDEDLO C=C[C@H](O)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000816835357 678537250 /nfs/dbraw/zinc/53/72/50/678537250.db2.gz CKVOYQXCPFSDCS-PWSUYJOCSA-N 1 2 295.408 1.860 20 30 CDEDLO C#CCOCC[N@H+]1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000851805481 678538762 /nfs/dbraw/zinc/53/87/62/678538762.db2.gz BYGDWYYPCGVLQR-ZIAGYGMSSA-N 1 2 295.404 1.522 20 30 CDEDLO C#CCOCC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000851805481 678538766 /nfs/dbraw/zinc/53/87/66/678538766.db2.gz BYGDWYYPCGVLQR-ZIAGYGMSSA-N 1 2 295.404 1.522 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccco2)on1 ZINC001038559957 678543446 /nfs/dbraw/zinc/54/34/46/678543446.db2.gz MIWCZIBAEBMCBM-LLVKDONJSA-N 1 2 287.319 1.925 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccco2)on1 ZINC001038559957 678543458 /nfs/dbraw/zinc/54/34/58/678543458.db2.gz MIWCZIBAEBMCBM-LLVKDONJSA-N 1 2 287.319 1.925 20 30 CDEDLO C=C[C@@H](O)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927079262 678555575 /nfs/dbraw/zinc/55/55/75/678555575.db2.gz LZMHHMSHESBSDF-GFCCVEGCSA-N 1 2 261.325 1.031 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C)cc2)C1 ZINC000885508572 678557283 /nfs/dbraw/zinc/55/72/83/678557283.db2.gz ILZRQWDTOJPNCS-AWEZNQCLSA-N 1 2 292.404 1.371 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C)cc2)C1 ZINC000885508572 678557286 /nfs/dbraw/zinc/55/72/86/678557286.db2.gz ILZRQWDTOJPNCS-AWEZNQCLSA-N 1 2 292.404 1.371 20 30 CDEDLO CCCCCCN(CC#N)CC[NH+]1CCOCC1 ZINC000080964327 678564608 /nfs/dbraw/zinc/56/46/08/678564608.db2.gz KIGHQJFTNQSLBG-UHFFFAOYSA-N 1 2 253.390 1.724 20 30 CDEDLO C=CC[N@H+](Cc1ccccc1)CN1CC(=O)N(CC)C1=O ZINC000122118836 678565604 /nfs/dbraw/zinc/56/56/04/678565604.db2.gz KJJVILKZRXKQNJ-UHFFFAOYSA-N 1 2 287.363 1.916 20 30 CDEDLO C=CC[N@@H+](Cc1ccccc1)CN1CC(=O)N(CC)C1=O ZINC000122118836 678565607 /nfs/dbraw/zinc/56/56/07/678565607.db2.gz KJJVILKZRXKQNJ-UHFFFAOYSA-N 1 2 287.363 1.916 20 30 CDEDLO CC(C)CN(CCC#N)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000313803227 678586128 /nfs/dbraw/zinc/58/61/28/678586128.db2.gz OGNKUTSEUWUSGA-GASCZTMLSA-N 1 2 267.417 1.967 20 30 CDEDLO CC(C)CN(CCC#N)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000313803227 678586130 /nfs/dbraw/zinc/58/61/30/678586130.db2.gz OGNKUTSEUWUSGA-GASCZTMLSA-N 1 2 267.417 1.967 20 30 CDEDLO N#CC[C@@H](O)C[N@@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000930753146 678610007 /nfs/dbraw/zinc/61/00/07/678610007.db2.gz DBZSXGXORMRZJF-ZIAGYGMSSA-N 1 2 279.384 1.032 20 30 CDEDLO N#CC[C@@H](O)C[N@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000930753146 678610011 /nfs/dbraw/zinc/61/00/11/678610011.db2.gz DBZSXGXORMRZJF-ZIAGYGMSSA-N 1 2 279.384 1.032 20 30 CDEDLO O=C(C#Cc1cccs1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836864417 678617767 /nfs/dbraw/zinc/61/77/67/678617767.db2.gz MFUJRGMHEFVXJO-BETUJISGSA-N 1 2 290.388 1.079 20 30 CDEDLO O=C(C#Cc1cccs1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836864417 678617770 /nfs/dbraw/zinc/61/77/70/678617770.db2.gz MFUJRGMHEFVXJO-BETUJISGSA-N 1 2 290.388 1.079 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1CC ZINC001051039966 678659752 /nfs/dbraw/zinc/65/97/52/678659752.db2.gz MJZGJLGZEAPFPV-ZNMIVQPWSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1CC ZINC001051039966 678659753 /nfs/dbraw/zinc/65/97/53/678659753.db2.gz MJZGJLGZEAPFPV-ZNMIVQPWSA-N 1 2 296.411 1.195 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)c2ccccc2)nn1 ZINC000849140110 678659893 /nfs/dbraw/zinc/65/98/93/678659893.db2.gz QDPOMGHJGVXCBV-OAHLLOKOSA-N 1 2 270.336 1.125 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)cc(C)nc1C ZINC001038532880 678660749 /nfs/dbraw/zinc/66/07/49/678660749.db2.gz RBDWRNGZCBPPAX-HNNXBMFYSA-N 1 2 285.391 1.834 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)cc(C)nc1C ZINC001038532880 678660750 /nfs/dbraw/zinc/66/07/50/678660750.db2.gz RBDWRNGZCBPPAX-HNNXBMFYSA-N 1 2 285.391 1.834 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(C)(C)C)cn1 ZINC001032409503 678685528 /nfs/dbraw/zinc/68/55/28/678685528.db2.gz QTGOBPBJSAEDJQ-GJZGRUSLSA-N 1 2 297.402 1.911 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(C)(C)C)cn1 ZINC001032409503 678685531 /nfs/dbraw/zinc/68/55/31/678685531.db2.gz QTGOBPBJSAEDJQ-GJZGRUSLSA-N 1 2 297.402 1.911 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccsc2)C1 ZINC001035279154 678689959 /nfs/dbraw/zinc/68/99/59/678689959.db2.gz IFFZUMUYRLLJNX-LBPRGKRZSA-N 1 2 266.366 1.365 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccsc2)C1 ZINC001035279154 678689962 /nfs/dbraw/zinc/68/99/62/678689962.db2.gz IFFZUMUYRLLJNX-LBPRGKRZSA-N 1 2 266.366 1.365 20 30 CDEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+]2C[C@H](F)CC)nn1 ZINC001038792891 678707562 /nfs/dbraw/zinc/70/75/62/678707562.db2.gz ZDMOQVPICYJZHG-NEPJUHHUSA-N 1 2 295.362 1.016 20 30 CDEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+]2C[C@H](F)CC)nn1 ZINC001038792891 678707565 /nfs/dbraw/zinc/70/75/65/678707565.db2.gz ZDMOQVPICYJZHG-NEPJUHHUSA-N 1 2 295.362 1.016 20 30 CDEDLO N#CCc1ccnc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000871728621 678713071 /nfs/dbraw/zinc/71/30/71/678713071.db2.gz XLVYRVYYUQGKNM-LBPRGKRZSA-N 1 2 296.334 1.481 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ncc(Cl)cc1Cl ZINC001038856427 678728306 /nfs/dbraw/zinc/72/83/06/678728306.db2.gz ZHDIMZSRIRDQTO-JTQLQIEISA-N 1 2 298.173 1.826 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncc(Cl)cc1Cl ZINC001038856427 678728310 /nfs/dbraw/zinc/72/83/10/678728310.db2.gz ZHDIMZSRIRDQTO-JTQLQIEISA-N 1 2 298.173 1.826 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)nc1 ZINC001017360025 678732646 /nfs/dbraw/zinc/73/26/46/678732646.db2.gz CRIDFNOJRQMNBY-GASCZTMLSA-N 1 2 269.348 1.312 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)nc1 ZINC001017360025 678732647 /nfs/dbraw/zinc/73/26/47/678732647.db2.gz CRIDFNOJRQMNBY-GASCZTMLSA-N 1 2 269.348 1.312 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(OCC)nc2)C1 ZINC001042836478 678761536 /nfs/dbraw/zinc/76/15/36/678761536.db2.gz CULDVUYRBXQGQS-UHFFFAOYSA-N 1 2 289.379 1.813 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2oc(=O)[nH]c21 ZINC001032523130 678764762 /nfs/dbraw/zinc/76/47/62/678764762.db2.gz NQAQNVMONPDDOL-QWRGUYRKSA-N 1 2 297.314 1.065 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2oc(=O)[nH]c21 ZINC001032523130 678764766 /nfs/dbraw/zinc/76/47/66/678764766.db2.gz NQAQNVMONPDDOL-QWRGUYRKSA-N 1 2 297.314 1.065 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC2(F)F)C1 ZINC001046299295 678789010 /nfs/dbraw/zinc/78/90/10/678789010.db2.gz JCHAYWYPADJCDA-ONGXEEELSA-N 1 2 278.730 1.975 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC2(F)F)C1 ZINC001046299295 678789012 /nfs/dbraw/zinc/78/90/12/678789012.db2.gz JCHAYWYPADJCDA-ONGXEEELSA-N 1 2 278.730 1.975 20 30 CDEDLO C#CCOc1ccc(NC(=O)NCc2ccc(N)[nH+]c2)cc1 ZINC000801679031 678805234 /nfs/dbraw/zinc/80/52/34/678805234.db2.gz BFMOVDVPIZPWFL-UHFFFAOYSA-N 1 2 296.330 1.998 20 30 CDEDLO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cn(C)nn1 ZINC000715940547 678828063 /nfs/dbraw/zinc/82/80/63/678828063.db2.gz DVWRNBMVTSUAGL-SECBINFHSA-N 1 2 259.288 1.677 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2ccc(O)cc2)CC1 ZINC000183613552 678831730 /nfs/dbraw/zinc/83/17/30/678831730.db2.gz ONRXVEVCLNULHZ-VMPITWQZSA-N 1 2 270.332 1.183 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(C)C)on1 ZINC001038566283 678832471 /nfs/dbraw/zinc/83/24/71/678832471.db2.gz BPCIJTYNKKPVLI-LBPRGKRZSA-N 1 2 275.352 1.625 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(C)C)on1 ZINC001038566283 678832474 /nfs/dbraw/zinc/83/24/74/678832474.db2.gz BPCIJTYNKKPVLI-LBPRGKRZSA-N 1 2 275.352 1.625 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H]2Oc3ccccc3[C@@H]2C)C1 ZINC001044371715 678841273 /nfs/dbraw/zinc/84/12/73/678841273.db2.gz JHOQSXNBIOOHPT-GUYCJALGSA-N 1 2 298.386 1.717 20 30 CDEDLO Cc1ccc(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc1C#N ZINC000799596489 678847446 /nfs/dbraw/zinc/84/74/46/678847446.db2.gz FAUFUPPXTGNHSB-ZDUSSCGKSA-N 1 2 287.363 1.317 20 30 CDEDLO Cc1ccc(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc1C#N ZINC000799596489 678847451 /nfs/dbraw/zinc/84/74/51/678847451.db2.gz FAUFUPPXTGNHSB-ZDUSSCGKSA-N 1 2 287.363 1.317 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C3CN(CC#N)C3)ccn12 ZINC000969672849 678857985 /nfs/dbraw/zinc/85/79/85/678857985.db2.gz GHFIARXZJZYMFO-LBPRGKRZSA-N 1 2 297.362 1.216 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)/C(C)=C\C)C[C@@H]21 ZINC001074205628 678859874 /nfs/dbraw/zinc/85/98/74/678859874.db2.gz VAPRWWVJFYRJGD-QTMMWEQMSA-N 1 2 278.396 1.830 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)/C(C)=C\C)C[C@@H]21 ZINC001074205628 678859877 /nfs/dbraw/zinc/85/98/77/678859877.db2.gz VAPRWWVJFYRJGD-QTMMWEQMSA-N 1 2 278.396 1.830 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1COc2ccccc2C1 ZINC001038485358 678887480 /nfs/dbraw/zinc/88/74/80/678887480.db2.gz OBGIUQYWGOMHMI-HUUCEWRRSA-N 1 2 284.359 1.061 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1COc2ccccc2C1 ZINC001038485358 678887482 /nfs/dbraw/zinc/88/74/82/678887482.db2.gz OBGIUQYWGOMHMI-HUUCEWRRSA-N 1 2 284.359 1.061 20 30 CDEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1=S ZINC000794717388 678891107 /nfs/dbraw/zinc/89/11/07/678891107.db2.gz ZRCWKXNDIKWJHP-CYBMUJFWSA-N 1 2 295.412 1.063 20 30 CDEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c1=S ZINC000794717388 678891109 /nfs/dbraw/zinc/89/11/09/678891109.db2.gz ZRCWKXNDIKWJHP-CYBMUJFWSA-N 1 2 295.412 1.063 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@@H]1CC ZINC000884166640 678894205 /nfs/dbraw/zinc/89/42/05/678894205.db2.gz HSYSCVXKYKXXCQ-SDDRHHMPSA-N 1 2 268.357 1.128 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccn(C)n2)CC[C@@H]1C ZINC001072072489 678909213 /nfs/dbraw/zinc/90/92/13/678909213.db2.gz KYFMAQQSXDCUFD-RYUDHWBXSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccn(C)n2)CC[C@@H]1C ZINC001072072489 678909215 /nfs/dbraw/zinc/90/92/15/678909215.db2.gz KYFMAQQSXDCUFD-RYUDHWBXSA-N 1 2 296.802 1.755 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cccs2)C1 ZINC001035286370 678923422 /nfs/dbraw/zinc/92/34/22/678923422.db2.gz CJGRZROMXNPWQB-LBPRGKRZSA-N 1 2 278.377 1.202 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cccs2)C1 ZINC001035286370 678923425 /nfs/dbraw/zinc/92/34/25/678923425.db2.gz CJGRZROMXNPWQB-LBPRGKRZSA-N 1 2 278.377 1.202 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001019232106 678933207 /nfs/dbraw/zinc/93/32/07/678933207.db2.gz JEEQKTRLQLENCP-LBPRGKRZSA-N 1 2 292.383 1.671 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001031447312 678955569 /nfs/dbraw/zinc/95/55/69/678955569.db2.gz VONIYCHYJMJWRL-PIMMBPRGSA-N 1 2 260.381 1.636 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cn2cnc3ccc(C)cc32)C1 ZINC001043624018 678995428 /nfs/dbraw/zinc/99/54/28/678995428.db2.gz YQJGMNBBVUAZRY-UHFFFAOYSA-N 1 2 298.390 1.673 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1N(C)C(C)=O ZINC001038566641 678997936 /nfs/dbraw/zinc/99/79/36/678997936.db2.gz GNARUDAFIAHOSR-AWEZNQCLSA-N 1 2 299.374 1.107 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1N(C)C(C)=O ZINC001038566641 678997938 /nfs/dbraw/zinc/99/79/38/678997938.db2.gz GNARUDAFIAHOSR-AWEZNQCLSA-N 1 2 299.374 1.107 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2ccccc2n1 ZINC001038346596 679006397 /nfs/dbraw/zinc/00/63/97/679006397.db2.gz XRUKTEJATHGWFN-GFCCVEGCSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2ccccc2n1 ZINC001038346596 679006398 /nfs/dbraw/zinc/00/63/98/679006398.db2.gz XRUKTEJATHGWFN-GFCCVEGCSA-N 1 2 280.331 1.067 20 30 CDEDLO N#Cc1ccccc1/C=C\C(=O)NCCCn1cc[nH+]c1 ZINC000255423280 679008210 /nfs/dbraw/zinc/00/82/10/679008210.db2.gz DFCBXSUWTRXQFD-SREVYHEPSA-N 1 2 280.331 1.974 20 30 CDEDLO Cc1nc(N[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001057594756 679009835 /nfs/dbraw/zinc/00/98/35/679009835.db2.gz VYKDLCLOVUTVOB-CMPLNLGQSA-N 1 2 273.340 1.348 20 30 CDEDLO C#CCC1([NH2+]Cc2nnn(C(C)(C)C)n2)CCOCC1 ZINC000886379145 679022471 /nfs/dbraw/zinc/02/24/71/679022471.db2.gz PQZHFYTUPJBRIG-UHFFFAOYSA-N 1 2 277.372 1.090 20 30 CDEDLO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC001024528827 679022515 /nfs/dbraw/zinc/02/25/15/679022515.db2.gz NACWCYFNNDWLOQ-GFCCVEGCSA-N 1 2 288.395 1.669 20 30 CDEDLO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC001024528827 679022517 /nfs/dbraw/zinc/02/25/17/679022517.db2.gz NACWCYFNNDWLOQ-GFCCVEGCSA-N 1 2 288.395 1.669 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCO[C@H]1C ZINC001017511256 679024053 /nfs/dbraw/zinc/02/40/53/679024053.db2.gz CBRDRQIKYSNMOA-JONQDZQNSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCO[C@H]1C ZINC001017511256 679024054 /nfs/dbraw/zinc/02/40/54/679024054.db2.gz CBRDRQIKYSNMOA-JONQDZQNSA-N 1 2 290.407 1.500 20 30 CDEDLO C#Cc1cccc(NC(=O)C[NH+]2CCC(NC(C)=O)CC2)c1 ZINC001002201984 679034412 /nfs/dbraw/zinc/03/44/12/679034412.db2.gz CISLNXCUPXZODW-UHFFFAOYSA-N 1 2 299.374 1.207 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc2ccccc21 ZINC001038483304 679051902 /nfs/dbraw/zinc/05/19/02/679051902.db2.gz NGHRPRVGMYJTRC-CYBMUJFWSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc2ccccc21 ZINC001038483304 679051904 /nfs/dbraw/zinc/05/19/04/679051904.db2.gz NGHRPRVGMYJTRC-CYBMUJFWSA-N 1 2 279.343 1.672 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001034452968 679056889 /nfs/dbraw/zinc/05/68/89/679056889.db2.gz RDOSXBXCKNZOMV-NSHDSACASA-N 1 2 297.790 1.152 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001034452968 679056891 /nfs/dbraw/zinc/05/68/91/679056891.db2.gz RDOSXBXCKNZOMV-NSHDSACASA-N 1 2 297.790 1.152 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2Cc3cccc(C)c3O2)C1 ZINC001031501857 679057857 /nfs/dbraw/zinc/05/78/57/679057857.db2.gz WWGQYKMMIUQJNP-OAHLLOKOSA-N 1 2 284.359 1.122 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)noc1CCC ZINC001038240968 679058869 /nfs/dbraw/zinc/05/88/69/679058869.db2.gz MSEOUIJCBXNXRG-CYBMUJFWSA-N 1 2 289.379 1.763 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)noc1CCC ZINC001038240968 679058874 /nfs/dbraw/zinc/05/88/74/679058874.db2.gz MSEOUIJCBXNXRG-CYBMUJFWSA-N 1 2 289.379 1.763 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001035498253 679064793 /nfs/dbraw/zinc/06/47/93/679064793.db2.gz ZJLLGKQCLCXXNS-KBPBESRZSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001035498253 679064798 /nfs/dbraw/zinc/06/47/98/679064798.db2.gz ZJLLGKQCLCXXNS-KBPBESRZSA-N 1 2 280.412 1.816 20 30 CDEDLO CC(C)=CC[NH+]1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001042614347 679065609 /nfs/dbraw/zinc/06/56/09/679065609.db2.gz KUZUSAKKZMMPHM-UHFFFAOYSA-N 1 2 272.352 1.609 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCO[C@H]1C ZINC001017508629 679099598 /nfs/dbraw/zinc/09/95/98/679099598.db2.gz FMEAIFXNDTVACZ-XQLPTFJDSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCO[C@H]1C ZINC001017508629 679099600 /nfs/dbraw/zinc/09/96/00/679099600.db2.gz FMEAIFXNDTVACZ-XQLPTFJDSA-N 1 2 276.380 1.110 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(F)c(F)c2)C1 ZINC001035401408 679102434 /nfs/dbraw/zinc/10/24/34/679102434.db2.gz JAKPAWMFJFMMSN-GFCCVEGCSA-N 1 2 296.317 1.581 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(F)c(F)c2)C1 ZINC001035401408 679102436 /nfs/dbraw/zinc/10/24/36/679102436.db2.gz JAKPAWMFJFMMSN-GFCCVEGCSA-N 1 2 296.317 1.581 20 30 CDEDLO Cc1nc(N2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)cc[nH+]1 ZINC001049248638 679117277 /nfs/dbraw/zinc/11/72/77/679117277.db2.gz GMXBYCDJFJRHJQ-YUTCNCBUSA-N 1 2 299.378 1.229 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@]12CCOC2 ZINC001018152311 679119824 /nfs/dbraw/zinc/11/98/24/679119824.db2.gz KWACCNXNQQCPFO-JYYAWHABSA-N 1 2 288.391 1.112 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@]12CCOC2 ZINC001018152311 679119827 /nfs/dbraw/zinc/11/98/27/679119827.db2.gz KWACCNXNQQCPFO-JYYAWHABSA-N 1 2 288.391 1.112 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1c[nH]cc1C)CO2 ZINC001054006549 679123611 /nfs/dbraw/zinc/12/36/11/679123611.db2.gz LBAFKNBNQUSCAX-ZDUSSCGKSA-N 1 2 289.379 1.472 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccn2ccccc12 ZINC001038498225 679124494 /nfs/dbraw/zinc/12/44/94/679124494.db2.gz SBWZHOQHRKGEEK-ZDUSSCGKSA-N 1 2 267.332 1.377 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn2ccccc12 ZINC001038498225 679124496 /nfs/dbraw/zinc/12/44/96/679124496.db2.gz SBWZHOQHRKGEEK-ZDUSSCGKSA-N 1 2 267.332 1.377 20 30 CDEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)co1 ZINC000971511857 679126645 /nfs/dbraw/zinc/12/66/45/679126645.db2.gz SCELECFZFMXJQT-OAHLLOKOSA-N 1 2 287.363 1.429 20 30 CDEDLO Cc1nc(C[N@H+](C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)co1 ZINC000971511857 679126646 /nfs/dbraw/zinc/12/66/46/679126646.db2.gz SCELECFZFMXJQT-OAHLLOKOSA-N 1 2 287.363 1.429 20 30 CDEDLO CCn1cc(C[N@H+](CC(=O)NCCC#N)C(C)C)cn1 ZINC000844416824 679128565 /nfs/dbraw/zinc/12/85/65/679128565.db2.gz GPWNJNWGEMQIBM-UHFFFAOYSA-N 1 2 277.372 1.143 20 30 CDEDLO CCn1cc(C[N@@H+](CC(=O)NCCC#N)C(C)C)cn1 ZINC000844416824 679128566 /nfs/dbraw/zinc/12/85/66/679128566.db2.gz GPWNJNWGEMQIBM-UHFFFAOYSA-N 1 2 277.372 1.143 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cncs1)O2 ZINC001053576907 679128701 /nfs/dbraw/zinc/12/87/01/679128701.db2.gz YBBZCZKIBPGJQY-NSHDSACASA-N 1 2 293.392 1.292 20 30 CDEDLO CNc1ccccc1C=[NH+]NC(=S)NC[C@H]1CCCO1 ZINC000872330905 679132773 /nfs/dbraw/zinc/13/27/73/679132773.db2.gz WYRNXGJRLDTQCW-GFCCVEGCSA-N 1 2 292.408 1.705 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cocc1C ZINC001051064824 679133011 /nfs/dbraw/zinc/13/30/11/679133011.db2.gz SKRSPIWEATXAKS-CQSZACIVSA-N 1 2 292.379 1.985 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cocc1C ZINC001051064824 679133014 /nfs/dbraw/zinc/13/30/14/679133014.db2.gz SKRSPIWEATXAKS-CQSZACIVSA-N 1 2 292.379 1.985 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)c(OC)c(C)c1 ZINC001038288434 679134563 /nfs/dbraw/zinc/13/45/63/679134563.db2.gz PVJVLZJSIBUZJC-HNNXBMFYSA-N 1 2 286.375 1.749 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)c(OC)c(C)c1 ZINC001038288434 679134564 /nfs/dbraw/zinc/13/45/64/679134564.db2.gz PVJVLZJSIBUZJC-HNNXBMFYSA-N 1 2 286.375 1.749 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)nc1 ZINC001038073290 679140364 /nfs/dbraw/zinc/14/03/64/679140364.db2.gz WRIFVSYBWBDKEZ-AWEZNQCLSA-N 1 2 257.337 1.217 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)nc1 ZINC001038073290 679140368 /nfs/dbraw/zinc/14/03/68/679140368.db2.gz WRIFVSYBWBDKEZ-AWEZNQCLSA-N 1 2 257.337 1.217 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000874706550 679153258 /nfs/dbraw/zinc/15/32/58/679153258.db2.gz SAUDLSARMJDAGX-DZGCQCFKSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000874706550 679153262 /nfs/dbraw/zinc/15/32/62/679153262.db2.gz SAUDLSARMJDAGX-DZGCQCFKSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2[nH]nc3ccccc32)C1 ZINC001044331256 679165993 /nfs/dbraw/zinc/16/59/93/679165993.db2.gz MUTIUJCEQJWDCL-UHFFFAOYSA-N 1 2 298.390 1.824 20 30 CDEDLO O=C(C#CC1CC1)N1CC[C@H]2CC[N@H+](Cc3ccon3)[C@@H]2C1 ZINC001042056659 679186070 /nfs/dbraw/zinc/18/60/70/679186070.db2.gz ARRPWXFNDSOEAE-GDBMZVCRSA-N 1 2 299.374 1.511 20 30 CDEDLO O=C(C#CC1CC1)N1CC[C@H]2CC[N@@H+](Cc3ccon3)[C@@H]2C1 ZINC001042056659 679186072 /nfs/dbraw/zinc/18/60/72/679186072.db2.gz ARRPWXFNDSOEAE-GDBMZVCRSA-N 1 2 299.374 1.511 20 30 CDEDLO C#CCCCC(=O)O[C@H](COC)C[N@@H+]1CCO[C@@H](C)C1 ZINC000842963102 679200741 /nfs/dbraw/zinc/20/07/41/679200741.db2.gz ISOJBFTUOALDOY-KBPBESRZSA-N 1 2 283.368 1.069 20 30 CDEDLO C#CCCCC(=O)O[C@H](COC)C[N@H+]1CCO[C@@H](C)C1 ZINC000842963102 679200742 /nfs/dbraw/zinc/20/07/42/679200742.db2.gz ISOJBFTUOALDOY-KBPBESRZSA-N 1 2 283.368 1.069 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccn2)c1 ZINC001038155092 679202903 /nfs/dbraw/zinc/20/29/03/679202903.db2.gz WIRLNKVLJJJMRE-AWEZNQCLSA-N 1 2 295.346 1.286 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccn2)c1 ZINC001038155092 679202905 /nfs/dbraw/zinc/20/29/05/679202905.db2.gz WIRLNKVLJJJMRE-AWEZNQCLSA-N 1 2 295.346 1.286 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccoc1Br ZINC001038888828 679363090 /nfs/dbraw/zinc/36/30/90/679363090.db2.gz XCERYPUBAGQDDG-VIFPVBQESA-N 1 2 297.152 1.479 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccoc1Br ZINC001038888828 679363092 /nfs/dbraw/zinc/36/30/92/679363092.db2.gz XCERYPUBAGQDDG-VIFPVBQESA-N 1 2 297.152 1.479 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCCS2)CC1 ZINC000783392165 679369122 /nfs/dbraw/zinc/36/91/22/679369122.db2.gz KGSGCYSGBXWYET-CYBMUJFWSA-N 1 2 266.410 1.440 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC(F)(F)C2)C1 ZINC001010473277 679372782 /nfs/dbraw/zinc/37/27/82/679372782.db2.gz UFTWCYLMQYCBKC-JTQLQIEISA-N 1 2 278.730 1.975 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC(F)(F)C2)C1 ZINC001010473277 679372783 /nfs/dbraw/zinc/37/27/83/679372783.db2.gz UFTWCYLMQYCBKC-JTQLQIEISA-N 1 2 278.730 1.975 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(COC)cc2)C1 ZINC001044282520 679373394 /nfs/dbraw/zinc/37/33/94/679373394.db2.gz FANAZQFAMHYZSJ-UHFFFAOYSA-N 1 2 286.375 1.613 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001030334406 679393686 /nfs/dbraw/zinc/39/36/86/679393686.db2.gz JWDYDZOBXAFMAK-LSDHHAIUSA-N 1 2 271.364 1.562 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C)nn2)C1 ZINC001046305943 679398801 /nfs/dbraw/zinc/39/88/01/679398801.db2.gz SDBLYUWQELOOIL-CQSZACIVSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C)nn2)C1 ZINC001046305943 679398803 /nfs/dbraw/zinc/39/88/03/679398803.db2.gz SDBLYUWQELOOIL-CQSZACIVSA-N 1 2 294.786 1.732 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc(CC)s2)[C@H]1C ZINC000994504155 679409731 /nfs/dbraw/zinc/40/97/31/679409731.db2.gz FNTZSIZKKWLIJO-NEPJUHHUSA-N 1 2 291.420 1.921 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc(CC)s2)[C@H]1C ZINC000994504155 679409733 /nfs/dbraw/zinc/40/97/33/679409733.db2.gz FNTZSIZKKWLIJO-NEPJUHHUSA-N 1 2 291.420 1.921 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001030819047 679423802 /nfs/dbraw/zinc/42/38/02/679423802.db2.gz PZBAVWGEDGXIIZ-UHFFFAOYSA-N 1 2 259.353 1.575 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc2cnccc2s1 ZINC001038490934 679439256 /nfs/dbraw/zinc/43/92/56/679439256.db2.gz YXIYHFMEPZPVMO-SNVBAGLBSA-N 1 2 288.376 1.681 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1nc2cnccc2s1 ZINC001038490934 679439257 /nfs/dbraw/zinc/43/92/57/679439257.db2.gz YXIYHFMEPZPVMO-SNVBAGLBSA-N 1 2 288.376 1.681 20 30 CDEDLO C=CCN1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001008343509 679442889 /nfs/dbraw/zinc/44/28/89/679442889.db2.gz OCTUUWFCTPDJLL-AWEZNQCLSA-N 1 2 291.395 1.721 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(F)ccc(OC)c1F ZINC001038935669 679458726 /nfs/dbraw/zinc/45/87/26/679458726.db2.gz VPWFRGPJRQGXTK-JTQLQIEISA-N 1 2 294.301 1.411 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(F)ccc(OC)c1F ZINC001038935669 679458727 /nfs/dbraw/zinc/45/87/27/679458727.db2.gz VPWFRGPJRQGXTK-JTQLQIEISA-N 1 2 294.301 1.411 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](C)[C@H]2CCCO2)C1 ZINC001043796103 679468469 /nfs/dbraw/zinc/46/84/69/679468469.db2.gz NOKWFZHIVVCAAM-GXTWGEPZSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2cc(C)on2)CC1 ZINC000717459752 679479270 /nfs/dbraw/zinc/47/92/70/679479270.db2.gz KYBRJKCNVJZUBJ-UHFFFAOYSA-N 1 2 279.340 1.325 20 30 CDEDLO C[C@H]1[C@@H]([NH2+]Cc2cnsn2)CCN1C(=O)C#CC1CC1 ZINC000986251888 679479383 /nfs/dbraw/zinc/47/93/83/679479383.db2.gz BMPZYDALIJHZNQ-GWCFXTLKSA-N 1 2 290.392 1.031 20 30 CDEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3C[C@H]3C)c2C1 ZINC001069852520 679523057 /nfs/dbraw/zinc/52/30/57/679523057.db2.gz VEKLMUWXQOOXCH-OCCSQVGLSA-N 1 2 288.395 1.547 20 30 CDEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3C[C@H]3C)c2C1 ZINC001069852520 679523059 /nfs/dbraw/zinc/52/30/59/679523059.db2.gz VEKLMUWXQOOXCH-OCCSQVGLSA-N 1 2 288.395 1.547 20 30 CDEDLO N#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001016668394 679583959 /nfs/dbraw/zinc/58/39/59/679583959.db2.gz WJLZNDOVSSSVCD-BZPMIXESSA-N 1 2 299.378 1.007 20 30 CDEDLO N#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001016668394 679583963 /nfs/dbraw/zinc/58/39/63/679583963.db2.gz WJLZNDOVSSSVCD-BZPMIXESSA-N 1 2 299.378 1.007 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)C=CCC3)C2)C1 ZINC000972507162 679594910 /nfs/dbraw/zinc/59/49/10/679594910.db2.gz WVNFQVLEIXXPKQ-SJORKVTESA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)C=CCC3)C2)C1 ZINC000972507162 679594912 /nfs/dbraw/zinc/59/49/12/679594912.db2.gz WVNFQVLEIXXPKQ-SJORKVTESA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(OC(C)C)c1 ZINC001032558952 679602732 /nfs/dbraw/zinc/60/27/32/679602732.db2.gz OUJPFWDDIJYZEY-GJZGRUSLSA-N 1 2 299.374 1.401 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(OC(C)C)c1 ZINC001032558952 679602737 /nfs/dbraw/zinc/60/27/37/679602737.db2.gz OUJPFWDDIJYZEY-GJZGRUSLSA-N 1 2 299.374 1.401 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2nc(C)n(C)c2c1 ZINC001038584771 679607235 /nfs/dbraw/zinc/60/72/35/679607235.db2.gz ATWMXXPAYGBDHC-CQSZACIVSA-N 1 2 296.374 1.319 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2nc(C)n(C)c2c1 ZINC001038584771 679607236 /nfs/dbraw/zinc/60/72/36/679607236.db2.gz ATWMXXPAYGBDHC-CQSZACIVSA-N 1 2 296.374 1.319 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001017984834 679615427 /nfs/dbraw/zinc/61/54/27/679615427.db2.gz AJUWBMREOCCABH-VVLHAWIVSA-N 1 2 295.386 1.494 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001017984834 679615449 /nfs/dbraw/zinc/61/54/49/679615449.db2.gz AJUWBMREOCCABH-VVLHAWIVSA-N 1 2 295.386 1.494 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1C(C)C ZINC001038441939 679626850 /nfs/dbraw/zinc/62/68/50/679626850.db2.gz GWBUQWBZMSLOQA-LBPRGKRZSA-N 1 2 274.368 1.361 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1C(C)C ZINC001038441939 679626852 /nfs/dbraw/zinc/62/68/52/679626852.db2.gz GWBUQWBZMSLOQA-LBPRGKRZSA-N 1 2 274.368 1.361 20 30 CDEDLO N#CCN1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001007634112 679633375 /nfs/dbraw/zinc/63/33/75/679633375.db2.gz CLLYPZNKPPKYOV-LBPRGKRZSA-N 1 2 283.335 1.281 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C)cc(F)c2)C1 ZINC001043961193 679649067 /nfs/dbraw/zinc/64/90/67/679649067.db2.gz GHZXSSDDZVGTFR-UHFFFAOYSA-N 1 2 274.339 1.914 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1C ZINC001017336664 679649185 /nfs/dbraw/zinc/64/91/85/679649185.db2.gz HKVWLALRLDGBIE-BETUJISGSA-N 1 2 258.321 1.510 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1C ZINC001017336664 679649186 /nfs/dbraw/zinc/64/91/86/679649186.db2.gz HKVWLALRLDGBIE-BETUJISGSA-N 1 2 258.321 1.510 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1cnc(COC)s1 ZINC001039081918 679649358 /nfs/dbraw/zinc/64/93/58/679649358.db2.gz DJBNHJFBLHRVLD-LLVKDONJSA-N 1 2 295.408 1.670 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(COC)s1 ZINC001039081918 679649359 /nfs/dbraw/zinc/64/93/59/679649359.db2.gz DJBNHJFBLHRVLD-LLVKDONJSA-N 1 2 295.408 1.670 20 30 CDEDLO Cc1ccn(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c(=O)c1C#N ZINC000789509768 679654864 /nfs/dbraw/zinc/65/48/64/679654864.db2.gz VPSCCFPLAGAHQO-GJZGRUSLSA-N 1 2 287.363 1.629 20 30 CDEDLO Cc1ccn(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c(=O)c1C#N ZINC000789509768 679654866 /nfs/dbraw/zinc/65/48/66/679654866.db2.gz VPSCCFPLAGAHQO-GJZGRUSLSA-N 1 2 287.363 1.629 20 30 CDEDLO C=C(C)CN1CC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001030510852 679655649 /nfs/dbraw/zinc/65/56/49/679655649.db2.gz CXIDXIDHRRYBHW-UHFFFAOYSA-N 1 2 276.384 1.303 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@H](C)C[NH2+]Cc1cnsn1 ZINC001754237700 1158991073 /nfs/dbraw/zinc/99/10/73/1158991073.db2.gz QHGURBYXMLOJCT-SECBINFHSA-N 1 2 268.386 1.345 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nccc(C)n3)C[C@H]21 ZINC001114199338 1162452473 /nfs/dbraw/zinc/45/24/73/1162452473.db2.gz SACWKLSPGDFIPG-HALDLXJZSA-N 1 2 298.390 1.135 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nccc(C)n3)C[C@H]21 ZINC001114199338 1162452474 /nfs/dbraw/zinc/45/24/74/1162452474.db2.gz SACWKLSPGDFIPG-HALDLXJZSA-N 1 2 298.390 1.135 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc3ccccc23)C1 ZINC001078274472 1161435271 /nfs/dbraw/zinc/43/52/71/1161435271.db2.gz LKIFULPZPDGATP-HUUCEWRRSA-N 1 2 298.342 1.231 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2coc3ccccc23)C1 ZINC001078274472 1161435273 /nfs/dbraw/zinc/43/52/73/1161435273.db2.gz LKIFULPZPDGATP-HUUCEWRRSA-N 1 2 298.342 1.231 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](F)CC)CC1 ZINC001113200159 1162127816 /nfs/dbraw/zinc/12/78/16/1162127816.db2.gz YSBCAFCJYBMZQA-GFCCVEGCSA-N 1 2 258.337 1.081 20 30 CDEDLO COc1cc(C=NNc2[nH+]ccn2C)ccc1OCC#N ZINC000790307246 1162143591 /nfs/dbraw/zinc/14/35/91/1162143591.db2.gz URPZKQIWVZKIMO-UHFFFAOYSA-N 1 2 285.307 1.777 20 30 CDEDLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)Nc1ncccc1C#N ZINC001113314721 1162152934 /nfs/dbraw/zinc/15/29/34/1162152934.db2.gz VJHFITFQCNVGBU-MNOVXSKESA-N 1 2 298.350 1.224 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001086597153 1162211646 /nfs/dbraw/zinc/21/16/46/1162211646.db2.gz PICOUEKZUVQXKS-DZGCQCFKSA-N 1 2 297.362 1.189 20 30 CDEDLO C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001086597153 1162211649 /nfs/dbraw/zinc/21/16/49/1162211649.db2.gz PICOUEKZUVQXKS-DZGCQCFKSA-N 1 2 297.362 1.189 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001086597153 1162211651 /nfs/dbraw/zinc/21/16/51/1162211651.db2.gz PICOUEKZUVQXKS-DZGCQCFKSA-N 1 2 297.362 1.189 20 30 CDEDLO C=CCCC1(C(=O)NCC[NH2+]Cc2nonc2C)CC1 ZINC001133375742 1163656042 /nfs/dbraw/zinc/65/60/42/1163656042.db2.gz HJMVEEWDWNLVSW-UHFFFAOYSA-N 1 2 278.356 1.330 20 30 CDEDLO C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1[nH]ncc1F ZINC001135408351 1164138308 /nfs/dbraw/zinc/13/83/08/1164138308.db2.gz WFDCMJWFXWIIHE-IUCAKERBSA-N 1 2 288.754 1.788 20 30 CDEDLO O=C(C=Cc1[nH]cc[nH+]1)c1ccc(-c2nn[nH]n2)cc1 ZINC001609519938 1164980509 /nfs/dbraw/zinc/98/05/09/1164980509.db2.gz VLGTZRKHULTNLR-WAYWQWQTSA-N 1 2 266.264 1.486 20 30 CDEDLO N#Cc1cncnc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001642169319 1167158755 /nfs/dbraw/zinc/15/87/55/1167158755.db2.gz IDNLXIKOHAOOCA-UHFFFAOYSA-N 1 2 276.303 1.568 20 30 CDEDLO C[C@@H](C(=O)NCc1ccco1)[NH+]1CCC(C#N)CC1 ZINC000061040333 1167386223 /nfs/dbraw/zinc/38/62/23/1167386223.db2.gz SWPJYLXSZIINLO-NSHDSACASA-N 1 2 261.325 1.520 20 30 CDEDLO Cc1cc(C)c(C#N)c(N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)n1 ZINC001646639376 1168011028 /nfs/dbraw/zinc/01/10/28/1168011028.db2.gz YRSGUIJPEDTRPF-UKRRQHHQSA-N 1 2 287.411 1.616 20 30 CDEDLO Cc1cc(C)c(C#N)c(N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)n1 ZINC001646639376 1168011032 /nfs/dbraw/zinc/01/10/32/1168011032.db2.gz YRSGUIJPEDTRPF-UKRRQHHQSA-N 1 2 287.411 1.616 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnc(C)[nH]1 ZINC001713448261 1178566380 /nfs/dbraw/zinc/56/63/80/1178566380.db2.gz XIKHLLHVSLMTJZ-UHFFFAOYSA-N 1 2 256.737 1.132 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnc(C)[nH]1 ZINC001713448261 1178566382 /nfs/dbraw/zinc/56/63/82/1178566382.db2.gz XIKHLLHVSLMTJZ-UHFFFAOYSA-N 1 2 256.737 1.132 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccnnc1 ZINC001716042420 1180016957 /nfs/dbraw/zinc/01/69/57/1180016957.db2.gz CJBVKHNBWHYSNY-JTQLQIEISA-N 1 2 268.748 1.279 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccnnc1 ZINC001716042420 1180016964 /nfs/dbraw/zinc/01/69/64/1180016964.db2.gz CJBVKHNBWHYSNY-JTQLQIEISA-N 1 2 268.748 1.279 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](C)COC ZINC001731799604 1182590129 /nfs/dbraw/zinc/59/01/29/1182590129.db2.gz OVPYKVSWMHAVDB-SNVBAGLBSA-N 1 2 262.781 1.460 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](C)COC ZINC001731799604 1182590136 /nfs/dbraw/zinc/59/01/36/1182590136.db2.gz OVPYKVSWMHAVDB-SNVBAGLBSA-N 1 2 262.781 1.460 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccn(C)c1 ZINC001731801579 1182592213 /nfs/dbraw/zinc/59/22/13/1182592213.db2.gz WJHDKEYYPGLZKO-UHFFFAOYSA-N 1 2 269.776 1.829 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccn(C)c1 ZINC001731801579 1182592220 /nfs/dbraw/zinc/59/22/20/1182592220.db2.gz WJHDKEYYPGLZKO-UHFFFAOYSA-N 1 2 269.776 1.829 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)COCC)C1 ZINC001733398081 1183419963 /nfs/dbraw/zinc/41/99/63/1183419963.db2.gz IZLRLRFWWMJDCI-LBPRGKRZSA-N 1 2 260.765 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)COCC)C1 ZINC001733398081 1183419964 /nfs/dbraw/zinc/41/99/64/1183419964.db2.gz IZLRLRFWWMJDCI-LBPRGKRZSA-N 1 2 260.765 1.356 20 30 CDEDLO C#CC[N@@H+](CCCNC(=O)c1[nH]ncc1F)C(C)C ZINC001753291333 1185143996 /nfs/dbraw/zinc/14/39/96/1185143996.db2.gz CYBVWFADHCDXIJ-UHFFFAOYSA-N 1 2 266.320 1.012 20 30 CDEDLO C#CC[N@H+](CCCNC(=O)c1[nH]ncc1F)C(C)C ZINC001753291333 1185143999 /nfs/dbraw/zinc/14/39/99/1185143999.db2.gz CYBVWFADHCDXIJ-UHFFFAOYSA-N 1 2 266.320 1.012 20 30 CDEDLO CC[C@H](C)[C@@H](C)C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001753344606 1185163112 /nfs/dbraw/zinc/16/31/12/1185163112.db2.gz LTGCJWPFCRMGTJ-LSDHHAIUSA-N 1 2 294.443 1.268 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)c2cccs2)C1 ZINC001753653640 1185288635 /nfs/dbraw/zinc/28/86/35/1185288635.db2.gz FNJWKEKKJVQUAE-CHWSQXEVSA-N 1 2 294.420 1.855 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H](C)c2cccs2)C1 ZINC001753653640 1185288641 /nfs/dbraw/zinc/28/86/41/1185288641.db2.gz FNJWKEKKJVQUAE-CHWSQXEVSA-N 1 2 294.420 1.855 20 30 CDEDLO C=C[C@H](CC)CC(=O)N(C)CC[N@H+](C)Cc1ccn(C)n1 ZINC001753860510 1185368119 /nfs/dbraw/zinc/36/81/19/1185368119.db2.gz AQLRSXXAWAMHET-CQSZACIVSA-N 1 2 292.427 1.913 20 30 CDEDLO C=C[C@H](CC)CC(=O)N(C)CC[N@@H+](C)Cc1ccn(C)n1 ZINC001753860510 1185368125 /nfs/dbraw/zinc/36/81/25/1185368125.db2.gz AQLRSXXAWAMHET-CQSZACIVSA-N 1 2 292.427 1.913 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)CC ZINC001754492464 1185640697 /nfs/dbraw/zinc/64/06/97/1185640697.db2.gz CLBNYDVQWVDIQL-XJKSGUPXSA-N 1 2 295.427 1.258 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)CC ZINC001754492464 1185640701 /nfs/dbraw/zinc/64/07/01/1185640701.db2.gz CLBNYDVQWVDIQL-XJKSGUPXSA-N 1 2 295.427 1.258 20 30 CDEDLO C#CCCCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nc(C)no1 ZINC001755235240 1185869358 /nfs/dbraw/zinc/86/93/58/1185869358.db2.gz ZYAGJHSMPNJCKO-GHMZBOCLSA-N 1 2 278.356 1.164 20 30 CDEDLO N#Cc1cccc(C(=O)Nc2cccnc2C[NH3+])c1O ZINC001193660161 1164396348 /nfs/dbraw/zinc/39/63/48/1164396348.db2.gz UPUZZHOXWIUWES-UHFFFAOYSA-N 1 2 268.276 1.370 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCC(F)(F)[C@H](N)C2)c1 ZINC001206656006 1167181216 /nfs/dbraw/zinc/18/12/16/1167181216.db2.gz KBGSQVAAKZXJGD-GFCCVEGCSA-N 1 2 251.280 1.727 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCC(F)(F)[C@H](N)C2)c1 ZINC001206656006 1167181226 /nfs/dbraw/zinc/18/12/26/1167181226.db2.gz KBGSQVAAKZXJGD-GFCCVEGCSA-N 1 2 251.280 1.727 20 30 CDEDLO C[C@@H](CNC(=O)c1ccc(C#N)cc1F)Cn1cc[nH+]c1 ZINC001646582321 1167941552 /nfs/dbraw/zinc/94/15/52/1167941552.db2.gz VGIVFDXTXDGRNF-NSHDSACASA-N 1 2 286.310 1.960 20 30 CDEDLO C[C@H]1C[C@@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CCO1 ZINC001173172521 912296529 /nfs/dbraw/zinc/29/65/29/912296529.db2.gz VBIBMFKQCCERAR-DLOVCJGASA-N 1 2 253.367 1.828 20 30 CDEDLO C[C@H]1C[C@@H]([N@H+]2CC[C@@H]3SC(=O)C=C3C2)CCO1 ZINC001173172521 912296541 /nfs/dbraw/zinc/29/65/41/912296541.db2.gz VBIBMFKQCCERAR-DLOVCJGASA-N 1 2 253.367 1.828 20 30 CDEDLO C#Cc1cc(Nc2cccc(S(C)(=O)=O)c2)cc[nH+]1 ZINC001174025560 912959783 /nfs/dbraw/zinc/95/97/83/912959783.db2.gz XEOJCLUKLIHMBP-UHFFFAOYSA-N 1 2 272.329 1.632 20 30 CDEDLO CN(C)c1ccc(Nc2nc(C#N)c(C#N)nc2N)c[nH+]1 ZINC001175340119 913549540 /nfs/dbraw/zinc/54/95/40/913549540.db2.gz AKNPRXZDSSZFGL-UHFFFAOYSA-N 1 2 280.295 1.007 20 30 CDEDLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)CNc1ccc(C#N)cn1 ZINC001104225979 894242609 /nfs/dbraw/zinc/24/26/09/894242609.db2.gz HDQQCQKGAMXCQN-LLVKDONJSA-N 1 2 298.350 1.083 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCCF)C[C@@H]21 ZINC001177067000 914473593 /nfs/dbraw/zinc/47/35/93/914473593.db2.gz JDQSNENHFDLYGM-KBPBESRZSA-N 1 2 284.375 1.614 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCCF)C[C@@H]21 ZINC001177067000 914473597 /nfs/dbraw/zinc/47/35/97/914473597.db2.gz JDQSNENHFDLYGM-KBPBESRZSA-N 1 2 284.375 1.614 20 30 CDEDLO C#CCCC1(CCNC(=O)CN(C)c2cccc[nH+]2)N=N1 ZINC001177416618 914673408 /nfs/dbraw/zinc/67/34/08/914673408.db2.gz BSAQMHHNAWMJMU-UHFFFAOYSA-N 1 2 285.351 1.600 20 30 CDEDLO C=CCS(=O)(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000711094481 903709767 /nfs/dbraw/zinc/70/97/67/903709767.db2.gz VFLUFEMJBAQSRG-UHFFFAOYSA-N 1 2 277.349 1.859 20 30 CDEDLO C=C1CC(C(=O)N2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)C1 ZINC001270590157 904765990 /nfs/dbraw/zinc/76/59/90/904765990.db2.gz KURZPUMOYFEFOO-UHFFFAOYSA-N 1 2 272.352 1.020 20 30 CDEDLO N#CCc1cccc(C(=O)N2CCc3[nH+]ccn3CC2)c1 ZINC001188675924 921145801 /nfs/dbraw/zinc/14/58/01/921145801.db2.gz MYUCMKBUSHOVLD-UHFFFAOYSA-N 1 2 280.331 1.648 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]nnc2C)[C@H]1CC ZINC001087682902 905758354 /nfs/dbraw/zinc/75/83/54/905758354.db2.gz YBLQALBGUICDPC-WDEREUQCSA-N 1 2 297.790 1.448 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]nnc2C)[C@H]1CC ZINC001087682902 905758360 /nfs/dbraw/zinc/75/83/60/905758360.db2.gz YBLQALBGUICDPC-WDEREUQCSA-N 1 2 297.790 1.448 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2n[nH]c(C)c2C)[C@H]1C ZINC001088496851 907503003 /nfs/dbraw/zinc/50/30/03/907503003.db2.gz SKVQCTYOGTXCAV-NEPJUHHUSA-N 1 2 296.802 1.972 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2n[nH]c(C)c2C)[C@H]1C ZINC001088496851 907503016 /nfs/dbraw/zinc/50/30/16/907503016.db2.gz SKVQCTYOGTXCAV-NEPJUHHUSA-N 1 2 296.802 1.972 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2nnc(C)o2)C1 ZINC001189318275 921427101 /nfs/dbraw/zinc/42/71/01/921427101.db2.gz IMFPDTQYSVVDCB-YPMHNXCESA-N 1 2 292.383 1.938 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2nnc(C)o2)C1 ZINC001189318275 921427106 /nfs/dbraw/zinc/42/71/06/921427106.db2.gz IMFPDTQYSVVDCB-YPMHNXCESA-N 1 2 292.383 1.938 20 30 CDEDLO CCCCc1noc(C[NH2+]CCNC(=O)C#CC(C)C)n1 ZINC001126828152 909341855 /nfs/dbraw/zinc/34/18/55/909341855.db2.gz KZPAVKWRGKZFFN-UHFFFAOYSA-N 1 2 292.383 1.277 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C1(C)CC1)c1nccn12 ZINC001092369825 909386229 /nfs/dbraw/zinc/38/62/29/909386229.db2.gz KKFWAALMBOJIFW-LBPRGKRZSA-N 1 2 286.379 1.441 20 30 CDEDLO N#Cc1nc(N[C@@H]2CCC[N@@H+](C3COC3)C2)cc2nc[nH]c21 ZINC001168366594 909843704 /nfs/dbraw/zinc/84/37/04/909843704.db2.gz ABYYJNPMVQKTIR-SNVBAGLBSA-N 1 2 298.350 1.105 20 30 CDEDLO N#Cc1nc(N[C@@H]2CCC[N@H+](C3COC3)C2)cc2nc[nH]c21 ZINC001168366594 909843724 /nfs/dbraw/zinc/84/37/24/909843724.db2.gz ABYYJNPMVQKTIR-SNVBAGLBSA-N 1 2 298.350 1.105 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](C)SC)CC2)C1 ZINC001093508848 909880026 /nfs/dbraw/zinc/88/00/26/909880026.db2.gz DLPCJOHADQLKOD-LBPRGKRZSA-N 1 2 298.452 1.616 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2C)C1 ZINC001076682154 909975320 /nfs/dbraw/zinc/97/53/20/909975320.db2.gz MPXXRODQABQECD-GHMZBOCLSA-N 1 2 266.366 1.017 20 30 CDEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2C)C1 ZINC001076682154 909975332 /nfs/dbraw/zinc/97/53/32/909975332.db2.gz MPXXRODQABQECD-GHMZBOCLSA-N 1 2 266.366 1.017 20 30 CDEDLO C[C@@H](CCCCNCC#N)NC(=O)c1cccc2[nH+]ccn21 ZINC001171783824 910957344 /nfs/dbraw/zinc/95/73/44/910957344.db2.gz DLMDJSFKMOGVCJ-ZDUSSCGKSA-N 1 2 299.378 1.736 20 30 CDEDLO N#Cc1ccnc(Nc2ccc(C[NH+]3CC(O)C3)cc2)c1 ZINC001212664364 911723371 /nfs/dbraw/zinc/72/33/71/911723371.db2.gz KHOBXZAXHISCDT-UHFFFAOYSA-N 1 2 280.331 1.873 20 30 CDEDLO COCC#Cc1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001212176319 911726876 /nfs/dbraw/zinc/72/68/76/911726876.db2.gz DLOBGBQWZIFIMS-UHFFFAOYSA-N 1 2 280.287 1.920 20 30 CDEDLO C=CC[C@H]([NH2+][C@H](C)CCC(=O)OC(C)C)C(=O)OC ZINC001172743650 911891009 /nfs/dbraw/zinc/89/10/09/911891009.db2.gz HGSOQCJNPCIUMD-NEPJUHHUSA-N 1 2 271.357 1.814 20 30 CDEDLO CC[C@@H](C#N)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC001172888094 912048988 /nfs/dbraw/zinc/04/89/88/912048988.db2.gz ZYMBZXLDWXHYFQ-LBPRGKRZSA-N 1 2 281.400 1.684 20 30 CDEDLO N#Cc1ncn(-c2ccc(Cn3cc[nH+]c3)cc2)c1N ZINC001212694253 912111756 /nfs/dbraw/zinc/11/17/56/912111756.db2.gz QROAIVXHETXDCN-UHFFFAOYSA-N 1 2 264.292 1.571 20 30 CDEDLO Cc1cc(N[C@@H](C)CNC(=O)[C@@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001097732087 936358785 /nfs/dbraw/zinc/35/87/85/936358785.db2.gz JSVNRXZNISCRHL-JQWIXIFHSA-N 1 2 289.383 1.985 20 30 CDEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2c(F)cc(C#N)cc2Cl)C1 ZINC001180759983 916611843 /nfs/dbraw/zinc/61/18/43/916611843.db2.gz DIXSNHBEZUUEGJ-NSHDSACASA-N 1 2 297.717 1.620 20 30 CDEDLO C[N@H+]1CCO[C@H](C(=O)Nc2c(F)cc(C#N)cc2Cl)C1 ZINC001180759983 916611854 /nfs/dbraw/zinc/61/18/54/916611854.db2.gz DIXSNHBEZUUEGJ-NSHDSACASA-N 1 2 297.717 1.620 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cc[nH]c(=O)c1 ZINC001485290430 916771711 /nfs/dbraw/zinc/77/17/11/916771711.db2.gz ALLQMCFICGZRNM-SNVBAGLBSA-N 1 2 283.759 1.590 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cc[nH]c(=O)c1 ZINC001485290430 916771723 /nfs/dbraw/zinc/77/17/23/916771723.db2.gz ALLQMCFICGZRNM-SNVBAGLBSA-N 1 2 283.759 1.590 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCc1ccnn1C ZINC001485311033 916791290 /nfs/dbraw/zinc/79/12/90/916791290.db2.gz YNTYVJRNOILARH-GFCCVEGCSA-N 1 2 298.818 1.542 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCc1ccnn1C ZINC001485311033 916791297 /nfs/dbraw/zinc/79/12/97/916791297.db2.gz YNTYVJRNOILARH-GFCCVEGCSA-N 1 2 298.818 1.542 20 30 CDEDLO C=CCOCC(=O)NC/C=C/CNc1cc[nH+]c(C)n1 ZINC001107076155 917972974 /nfs/dbraw/zinc/97/29/74/917972974.db2.gz YMCGOUVVXPCZJD-SNAWJCMRSA-N 1 2 276.340 1.072 20 30 CDEDLO CCN(C(=O)[C@H](C#N)Cc1ccc(O)cc1)C1C[NH+](C)C1 ZINC001183611092 918547616 /nfs/dbraw/zinc/54/76/16/918547616.db2.gz YWKKWPJBYOSRKT-ZDUSSCGKSA-N 1 2 287.363 1.237 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CC(C)C)C1 ZINC001107701729 918645526 /nfs/dbraw/zinc/64/55/26/918645526.db2.gz GAXICIDOEILHEX-OAHLLOKOSA-N 1 2 266.385 1.263 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CC(C)C)C1 ZINC001107701729 918645531 /nfs/dbraw/zinc/64/55/31/918645531.db2.gz GAXICIDOEILHEX-OAHLLOKOSA-N 1 2 266.385 1.263 20 30 CDEDLO C[C@H](CNc1ncccc1C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC001107707108 918652890 /nfs/dbraw/zinc/65/28/90/918652890.db2.gz GLIDZXXGSGHRTG-LLVKDONJSA-N 1 2 298.350 1.226 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001107732199 918704491 /nfs/dbraw/zinc/70/44/91/918704491.db2.gz BHXIDHYWROWKHF-NVXWUHKLSA-N 1 2 290.407 1.573 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001107732199 918704506 /nfs/dbraw/zinc/70/45/06/918704506.db2.gz BHXIDHYWROWKHF-NVXWUHKLSA-N 1 2 290.407 1.573 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(C)n2C)C1 ZINC001107735456 918708962 /nfs/dbraw/zinc/70/89/62/918708962.db2.gz AIWXEMKHHGIPQM-MRXNPFEDSA-N 1 2 291.395 1.340 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(C)n2C)C1 ZINC001107735456 918708967 /nfs/dbraw/zinc/70/89/67/918708967.db2.gz AIWXEMKHHGIPQM-MRXNPFEDSA-N 1 2 291.395 1.340 20 30 CDEDLO Cc1nc(C#N)c(NC(=O)CCc2ccc(N)[nH+]c2)o1 ZINC001183928298 918772811 /nfs/dbraw/zinc/77/28/11/918772811.db2.gz BFIMJIYKURJLQT-UHFFFAOYSA-N 1 2 271.280 1.403 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ncoc2CC)C1 ZINC001107832038 918845312 /nfs/dbraw/zinc/84/53/12/918845312.db2.gz QQDYDQJRXSJGEQ-HNNXBMFYSA-N 1 2 293.367 1.244 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ncoc2CC)C1 ZINC001107832038 918845321 /nfs/dbraw/zinc/84/53/21/918845321.db2.gz QQDYDQJRXSJGEQ-HNNXBMFYSA-N 1 2 293.367 1.244 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2oc(C)nc2C)C1 ZINC001107839531 918854023 /nfs/dbraw/zinc/85/40/23/918854023.db2.gz PBRRWRAYEQVYSO-HNNXBMFYSA-N 1 2 293.367 1.298 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2oc(C)nc2C)C1 ZINC001107839531 918854040 /nfs/dbraw/zinc/85/40/40/918854040.db2.gz PBRRWRAYEQVYSO-HNNXBMFYSA-N 1 2 293.367 1.298 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C=C2CCC2)C1 ZINC001107862602 918919314 /nfs/dbraw/zinc/91/93/14/918919314.db2.gz UGSGOPUCWFMHNB-INIZCTEOSA-N 1 2 276.380 1.327 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C=C2CCC2)C1 ZINC001107862602 918919318 /nfs/dbraw/zinc/91/93/18/918919318.db2.gz UGSGOPUCWFMHNB-INIZCTEOSA-N 1 2 276.380 1.327 20 30 CDEDLO C#CCCCCC(=O)NC[C@@]1(C)C[N@H+](CC#CC)CCO1 ZINC001107880444 918970972 /nfs/dbraw/zinc/97/09/72/918970972.db2.gz KDOBUZXNSHKBMK-KRWDZBQOSA-N 1 2 290.407 1.410 20 30 CDEDLO C#CCCCCC(=O)NC[C@@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001107880444 918970989 /nfs/dbraw/zinc/97/09/89/918970989.db2.gz KDOBUZXNSHKBMK-KRWDZBQOSA-N 1 2 290.407 1.410 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2coc(C)c2)C1 ZINC001107894881 919011549 /nfs/dbraw/zinc/01/15/49/919011549.db2.gz BMXSFKFHKDDUGO-HNNXBMFYSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2coc(C)c2)C1 ZINC001107894881 919011570 /nfs/dbraw/zinc/01/15/70/919011570.db2.gz BMXSFKFHKDDUGO-HNNXBMFYSA-N 1 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/nfs/dbraw/zinc/16/14/41/919161441.db2.gz KJMCNNORDUZYLO-AWEZNQCLSA-N 1 2 252.358 1.180 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)OCC)C1 ZINC001184795296 919282654 /nfs/dbraw/zinc/28/26/54/919282654.db2.gz VWQIGCSQIHVHHV-LBPRGKRZSA-N 1 2 291.351 1.356 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)OCC)C1 ZINC001184795296 919282669 /nfs/dbraw/zinc/28/26/69/919282669.db2.gz VWQIGCSQIHVHHV-LBPRGKRZSA-N 1 2 291.351 1.356 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001185958819 919830741 /nfs/dbraw/zinc/83/07/41/919830741.db2.gz BOSHMIBFEICHQS-LLVKDONJSA-N 1 2 294.424 1.831 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2cccnc2)C1 ZINC001409944177 919889669 /nfs/dbraw/zinc/88/96/69/919889669.db2.gz XXYNYUFMCWHCGX-GFCCVEGCSA-N 1 2 293.798 1.813 20 30 CDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1nc(C)c[nH]1 ZINC001272912269 920024122 /nfs/dbraw/zinc/02/41/22/920024122.db2.gz VGUHMPHHVUUIJF-ZIAGYGMSSA-N 1 2 288.395 1.860 20 30 CDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1nc(C)c[nH]1 ZINC001272912269 920024132 /nfs/dbraw/zinc/02/41/32/920024132.db2.gz VGUHMPHHVUUIJF-ZIAGYGMSSA-N 1 2 288.395 1.860 20 30 CDEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C3CC3)s2)C1 ZINC001078001878 920044200 /nfs/dbraw/zinc/04/42/00/920044200.db2.gz PNWJZYOFQQIOFH-VXGBXAGGSA-N 1 2 292.404 1.586 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C3CC3)s2)C1 ZINC001078001878 920044211 /nfs/dbraw/zinc/04/42/11/920044211.db2.gz PNWJZYOFQQIOFH-VXGBXAGGSA-N 1 2 292.404 1.586 20 30 CDEDLO C=CCCCC(=O)NCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001078096428 920100879 /nfs/dbraw/zinc/10/08/79/920100879.db2.gz VLLQTSKCVVAOLT-LBPRGKRZSA-N 1 2 292.383 1.320 20 30 CDEDLO Cn1c2ccccc2c(C[N@@H+]2CC[C@H](C#N)C2)cc1=O ZINC001139759962 936644258 /nfs/dbraw/zinc/64/42/58/936644258.db2.gz ZGGBLIYJMIWPBJ-GFCCVEGCSA-N 1 2 267.332 1.884 20 30 CDEDLO Cn1c2ccccc2c(C[N@H+]2CC[C@H](C#N)C2)cc1=O ZINC001139759962 936644259 /nfs/dbraw/zinc/64/42/59/936644259.db2.gz 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ZINC001203050747 936729088 /nfs/dbraw/zinc/72/90/88/936729088.db2.gz DYYHVFHKIPGZGY-ZDUSSCGKSA-N 1 2 277.393 1.811 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(Cl)ncc2F)CC1 ZINC001140609110 936730450 /nfs/dbraw/zinc/73/04/50/936730450.db2.gz OJMUFHYMQVECLS-UHFFFAOYSA-N 1 2 267.735 1.625 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Cl)no1)C2 ZINC001098257896 936747934 /nfs/dbraw/zinc/74/79/34/936747934.db2.gz FNYGFIRQXUGXLW-BBBLOLIVSA-N 1 2 279.727 1.296 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Cl)no1)C2 ZINC001098257896 936747936 /nfs/dbraw/zinc/74/79/36/936747936.db2.gz FNYGFIRQXUGXLW-BBBLOLIVSA-N 1 2 279.727 1.296 20 30 CDEDLO N#Cc1c(F)cc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)cc1F ZINC001140751442 936750040 /nfs/dbraw/zinc/75/00/40/936750040.db2.gz WPYIJCSPYKAKAD-MFKMUULPSA-N 1 2 270.254 1.741 20 30 CDEDLO N#Cc1c(F)cc(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)cc1F ZINC001140751442 936750043 /nfs/dbraw/zinc/75/00/43/936750043.db2.gz WPYIJCSPYKAKAD-MFKMUULPSA-N 1 2 270.254 1.741 20 30 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/nfs/dbraw/zinc/82/78/78/936827878.db2.gz BEGARHVHTOFESD-CHWSQXEVSA-N 1 2 286.803 1.647 20 30 CDEDLO N#Cc1ccncc1C(=O)NCCOc1cc[nH+]cc1 ZINC001192983984 923362414 /nfs/dbraw/zinc/36/24/14/923362414.db2.gz QZYWVXPPDCDEKY-UHFFFAOYSA-N 1 2 268.276 1.157 20 30 CDEDLO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)C(F)(F)F ZINC001114308399 924153743 /nfs/dbraw/zinc/15/37/43/924153743.db2.gz GHGAWEATENICAX-RYPBNFRJSA-N 1 2 266.238 1.119 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)C(F)(F)F ZINC001114308399 924153755 /nfs/dbraw/zinc/15/37/55/924153755.db2.gz GHGAWEATENICAX-RYPBNFRJSA-N 1 2 266.238 1.119 20 30 CDEDLO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)C(F)(F)F ZINC001114308399 924153760 /nfs/dbraw/zinc/15/37/60/924153760.db2.gz GHGAWEATENICAX-RYPBNFRJSA-N 1 2 266.238 1.119 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)C(F)(F)F ZINC001114308399 924153769 /nfs/dbraw/zinc/15/37/69/924153769.db2.gz GHGAWEATENICAX-RYPBNFRJSA-N 1 2 266.238 1.119 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001079734327 924416133 /nfs/dbraw/zinc/41/61/33/924416133.db2.gz AUUVGHJUKSVJFX-LEKOTGGOSA-N 1 2 284.787 1.212 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001079734327 924416138 /nfs/dbraw/zinc/41/61/38/924416138.db2.gz AUUVGHJUKSVJFX-LEKOTGGOSA-N 1 2 284.787 1.212 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](F)CC)C[C@H]1O ZINC001195255697 924512268 /nfs/dbraw/zinc/51/22/68/924512268.db2.gz YDFYWDKFQFGNRL-YNEHKIRRSA-N 1 2 286.391 1.498 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](F)CC)C[C@H]1O ZINC001195255697 924512277 /nfs/dbraw/zinc/51/22/77/924512277.db2.gz YDFYWDKFQFGNRL-YNEHKIRRSA-N 1 2 286.391 1.498 20 30 CDEDLO C=C(C)CCC(=O)N1CCC[N@@H+](Cc2cncn2C)CC1 ZINC001196011149 924783563 /nfs/dbraw/zinc/78/35/63/924783563.db2.gz ZVJWSPZLFCWROF-UHFFFAOYSA-N 1 2 290.411 1.811 20 30 CDEDLO C=C(C)CCC(=O)N1CCC[N@H+](Cc2cncn2C)CC1 ZINC001196011149 924783568 /nfs/dbraw/zinc/78/35/68/924783568.db2.gz ZVJWSPZLFCWROF-UHFFFAOYSA-N 1 2 290.411 1.811 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](CCF)CC1 ZINC001196853255 925001991 /nfs/dbraw/zinc/00/19/91/925001991.db2.gz JFADWDBHQYJJEI-QWHCGFSZSA-N 1 2 256.365 1.948 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC001196853255 925001999 /nfs/dbraw/zinc/00/19/99/925001999.db2.gz JFADWDBHQYJJEI-QWHCGFSZSA-N 1 2 256.365 1.948 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCCO3)[C@@H]2C1 ZINC001084200372 925182769 /nfs/dbraw/zinc/18/27/69/925182769.db2.gz HKECQLRGNKPHCC-HZSPNIEDSA-N 1 2 298.814 1.841 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCCO3)[C@@H]2C1 ZINC001084200372 925182777 /nfs/dbraw/zinc/18/27/77/925182777.db2.gz HKECQLRGNKPHCC-HZSPNIEDSA-N 1 2 298.814 1.841 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccon3)[C@@H]2C1 ZINC001084238305 925201146 /nfs/dbraw/zinc/20/11/46/925201146.db2.gz VNJSJGMCEHSLNZ-DGCLKSJQSA-N 1 2 295.770 1.502 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccon3)[C@@H]2C1 ZINC001084238305 925201154 /nfs/dbraw/zinc/20/11/54/925201154.db2.gz VNJSJGMCEHSLNZ-DGCLKSJQSA-N 1 2 295.770 1.502 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC2(C[NH+](CC#CC)C2)n2ccnc21 ZINC001101615282 936994317 /nfs/dbraw/zinc/99/43/17/936994317.db2.gz DWZSVPUJZJYLKS-CQSZACIVSA-N 1 2 298.390 1.445 20 30 CDEDLO CC[N@H+](Cc1ncc(C)o1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152449930 925434474 /nfs/dbraw/zinc/43/44/74/925434474.db2.gz MKYQLEYJDSUQBS-WDEREUQCSA-N 1 2 278.356 1.469 20 30 CDEDLO CC[N@@H+](Cc1ncc(C)o1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152449930 925434478 /nfs/dbraw/zinc/43/44/78/925434478.db2.gz MKYQLEYJDSUQBS-WDEREUQCSA-N 1 2 278.356 1.469 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3ccon3)[C@H]2C1 ZINC001084904753 925490068 /nfs/dbraw/zinc/49/00/68/925490068.db2.gz ZRUKEPQRUOWDBQ-BZPMIXESSA-N 1 2 288.351 1.257 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccon3)[C@H]2C1 ZINC001084904753 925490070 /nfs/dbraw/zinc/49/00/70/925490070.db2.gz ZRUKEPQRUOWDBQ-BZPMIXESSA-N 1 2 288.351 1.257 20 30 CDEDLO Cn1cncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110532098 925713548 /nfs/dbraw/zinc/71/35/48/925713548.db2.gz YVDRGYKCAQHEDL-BMFZPTHFSA-N 1 2 298.390 1.055 20 30 CDEDLO Cn1cncc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110532098 925713553 /nfs/dbraw/zinc/71/35/53/925713553.db2.gz YVDRGYKCAQHEDL-BMFZPTHFSA-N 1 2 298.390 1.055 20 30 CDEDLO C=CCOCC(=O)NCCN(C)c1nc(C)[nH+]c(C)c1C ZINC001099958727 925855577 /nfs/dbraw/zinc/85/55/77/925855577.db2.gz DHNYVRNVBOAKEZ-UHFFFAOYSA-N 1 2 292.383 1.157 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1coc(C)c1 ZINC001085565957 926159759 /nfs/dbraw/zinc/15/97/59/926159759.db2.gz WNJRLDXMBLYMLA-CQSZACIVSA-N 1 2 260.337 1.758 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1coc(C)c1 ZINC001085565957 926159767 /nfs/dbraw/zinc/15/97/67/926159767.db2.gz WNJRLDXMBLYMLA-CQSZACIVSA-N 1 2 260.337 1.758 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)noc1C1CC1 ZINC001085728852 926329477 /nfs/dbraw/zinc/32/94/77/926329477.db2.gz IPMOHULTEDTQSF-ZDUSSCGKSA-N 1 2 287.363 1.640 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)noc1C1CC1 ZINC001085728852 926329488 /nfs/dbraw/zinc/32/94/88/926329488.db2.gz IPMOHULTEDTQSF-ZDUSSCGKSA-N 1 2 287.363 1.640 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1oc(CC)cc1C ZINC001085925647 926510553 /nfs/dbraw/zinc/51/05/53/926510553.db2.gz BBXSWGRLZCOKJV-CYBMUJFWSA-N 1 2 274.364 1.930 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1oc(CC)cc1C ZINC001085925647 926510558 /nfs/dbraw/zinc/51/05/58/926510558.db2.gz BBXSWGRLZCOKJV-CYBMUJFWSA-N 1 2 274.364 1.930 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1Cc2c(cccc2C)O1 ZINC001085927898 926512097 /nfs/dbraw/zinc/51/20/97/926512097.db2.gz JLYZUYKZALLQTN-YOEHRIQHSA-N 1 2 298.386 1.464 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1Cc2c(cccc2C)O1 ZINC001085927898 926512106 /nfs/dbraw/zinc/51/21/06/926512106.db2.gz JLYZUYKZALLQTN-YOEHRIQHSA-N 1 2 298.386 1.464 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](CCC(F)(F)F)CC1 ZINC001202367625 926546703 /nfs/dbraw/zinc/54/67/03/926546703.db2.gz BJRGDZYYESPTLW-UHFFFAOYSA-N 1 2 264.247 1.718 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1csc(C2CC2)n1 ZINC001085996342 926576683 /nfs/dbraw/zinc/57/66/83/926576683.db2.gz LWVPXAAEWMJDNY-GFCCVEGCSA-N 1 2 289.404 1.800 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1csc(C2CC2)n1 ZINC001085996342 926576688 /nfs/dbraw/zinc/57/66/88/926576688.db2.gz LWVPXAAEWMJDNY-GFCCVEGCSA-N 1 2 289.404 1.800 20 30 CDEDLO C[C@@H]1CNC(=O)C[N@@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142922589 937094058 /nfs/dbraw/zinc/09/40/58/937094058.db2.gz NBIXJVFUKJPYQT-SNVBAGLBSA-N 1 2 268.320 1.360 20 30 CDEDLO C[C@@H]1CNC(=O)C[N@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142922589 937094060 /nfs/dbraw/zinc/09/40/60/937094060.db2.gz NBIXJVFUKJPYQT-SNVBAGLBSA-N 1 2 268.320 1.360 20 30 CDEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001153134143 927579953 /nfs/dbraw/zinc/57/99/53/927579953.db2.gz AFKGJUUPBFZGRI-RYUDHWBXSA-N 1 2 281.356 1.341 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C#CC2CC2)C1 ZINC001149687216 937199713 /nfs/dbraw/zinc/19/97/13/937199713.db2.gz NAJQDVNOJJNVAB-CQSZACIVSA-N 1 2 296.798 1.359 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C#CC2CC2)C1 ZINC001149687216 937199716 /nfs/dbraw/zinc/19/97/16/937199716.db2.gz NAJQDVNOJJNVAB-CQSZACIVSA-N 1 2 296.798 1.359 20 30 CDEDLO N#Cc1ccc2ccnc(N3CC[NH2+]C[C@@H]3C#N)c2c1 ZINC001156320063 928041157 /nfs/dbraw/zinc/04/11/57/928041157.db2.gz OPQYVSBLAWUSMW-ZDUSSCGKSA-N 1 2 263.304 1.408 20 30 CDEDLO C=CC(=O)NCCNc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001169805263 928431692 /nfs/dbraw/zinc/43/16/92/928431692.db2.gz XJEZKXBTWXVICD-UHFFFAOYSA-N 1 2 256.309 1.351 20 30 CDEDLO C=CCCC(=O)N[C@@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001108859193 928685047 /nfs/dbraw/zinc/68/50/47/928685047.db2.gz HZSNYFRYUCMCPQ-NSHDSACASA-N 1 2 262.357 1.692 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCC(F)(F)F)CC1 ZINC001112747733 929375291 /nfs/dbraw/zinc/37/52/91/929375291.db2.gz YYAMTSKOEHRGBT-UHFFFAOYSA-N 1 2 250.264 1.659 20 30 CDEDLO C=CCO[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001153134139 937421962 /nfs/dbraw/zinc/42/19/62/937421962.db2.gz AFKGJUUPBFZGRI-NEPJUHHUSA-N 1 2 281.356 1.341 20 30 CDEDLO C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136036872 930614751 /nfs/dbraw/zinc/61/47/51/930614751.db2.gz ZKEFXBUFJSSRIM-VXGBXAGGSA-N 1 2 278.400 1.710 20 30 CDEDLO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136036878 930614977 /nfs/dbraw/zinc/61/49/77/930614977.db2.gz ZMOKDDRQNCZXKV-NWDGAFQWSA-N 1 2 276.384 1.157 20 30 CDEDLO CC(=O)[C@H](C)N1CC[C@@]2(CCC[N@H+](CCC#N)CC2)C1=O ZINC001274030936 931129968 /nfs/dbraw/zinc/12/99/68/931129968.db2.gz BZILCVFRNNTPJU-BBRMVZONSA-N 1 2 291.395 1.582 20 30 CDEDLO CC(=O)[C@H](C)N1CC[C@@]2(CCC[N@@H+](CCC#N)CC2)C1=O ZINC001274030936 931129973 /nfs/dbraw/zinc/12/99/73/931129973.db2.gz BZILCVFRNNTPJU-BBRMVZONSA-N 1 2 291.395 1.582 20 30 CDEDLO CC(=O)[C@@H](C)N1CC[C@@]2(CCC[N@H+](CCC#N)CC2)C1=O ZINC001274030937 931130434 /nfs/dbraw/zinc/13/04/34/931130434.db2.gz BZILCVFRNNTPJU-CJNGLKHVSA-N 1 2 291.395 1.582 20 30 CDEDLO CC(=O)[C@@H](C)N1CC[C@@]2(CCC[N@@H+](CCC#N)CC2)C1=O ZINC001274030937 931130441 /nfs/dbraw/zinc/13/04/41/931130441.db2.gz BZILCVFRNNTPJU-CJNGLKHVSA-N 1 2 291.395 1.582 20 30 CDEDLO COC(=O)c1c(OC)cc[nH+]c1NCCCS ZINC001171000063 931234101 /nfs/dbraw/zinc/23/41/01/931234101.db2.gz UROFXVIIOKSVGJ-UHFFFAOYSA-N 1 2 256.327 1.609 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc3c2CCN3C)CC1 ZINC001154156338 937511039 /nfs/dbraw/zinc/51/10/39/937511039.db2.gz MNUXUOOZAZMEDV-UHFFFAOYSA-N 1 2 285.391 1.623 20 30 CDEDLO C=CC[C@@H](C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001144029119 931632307 /nfs/dbraw/zinc/63/23/07/931632307.db2.gz PSQSLPMGQHIQGS-CHWSQXEVSA-N 1 2 259.353 1.989 20 30 CDEDLO C#C[C@H]([NH2+]Cc1c(Cl)ncn1CC)[C@@H]1CCCO1 ZINC001308378551 931805485 /nfs/dbraw/zinc/80/54/85/931805485.db2.gz ZHUHQDJAPOTWQV-JQWIXIFHSA-N 1 2 267.760 1.827 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2ccccc2O)CC1 ZINC001144511921 931875874 /nfs/dbraw/zinc/87/58/74/931875874.db2.gz JVZVWXADIMDWDQ-UHFFFAOYSA-N 1 2 274.364 1.655 20 30 CDEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCNC(=O)[C@@H]1C ZINC001171221299 932012355 /nfs/dbraw/zinc/01/23/55/932012355.db2.gz KESBYOKGMUNAHW-RYUDHWBXSA-N 1 2 257.337 1.310 20 30 CDEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCNC(=O)[C@@H]1C ZINC001171221299 932012363 /nfs/dbraw/zinc/01/23/63/932012363.db2.gz KESBYOKGMUNAHW-RYUDHWBXSA-N 1 2 257.337 1.310 20 30 CDEDLO N#Cc1ccc(-c2noc(CCn3cc[nH+]c3)n2)nc1 ZINC001247143401 932672318 /nfs/dbraw/zinc/67/23/18/932672318.db2.gz YLRUIGAAZKNWHL-UHFFFAOYSA-N 1 2 266.264 1.442 20 30 CDEDLO CC(C)Oc1cc(N[C@@H]2C(=O)N(O)C[C@@H]2C)cc[nH+]1 ZINC001171365023 932871937 /nfs/dbraw/zinc/87/19/37/932871937.db2.gz GSAIONNMTZTJJW-CABZTGNLSA-N 1 2 265.313 1.517 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(N)=O ZINC001111072185 933921089 /nfs/dbraw/zinc/92/10/89/933921089.db2.gz FQULKZXUVNTKPR-LOWDOPEQSA-N 1 2 293.411 1.184 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(N)=O ZINC001111072185 933921095 /nfs/dbraw/zinc/92/10/95/933921095.db2.gz FQULKZXUVNTKPR-LOWDOPEQSA-N 1 2 293.411 1.184 20 30 CDEDLO Cc1nc(N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)cc[nH+]1 ZINC001043095106 935833612 /nfs/dbraw/zinc/83/36/12/935833612.db2.gz HVZFNDLSGPHQAP-HOSYDEDBSA-N 1 2 273.340 1.204 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001096140977 935981994 /nfs/dbraw/zinc/98/19/94/935981994.db2.gz OXAHNUAPYDTPFL-CYBMUJFWSA-N 1 2 274.368 1.836 20 30 CDEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(Cl)s2)C1 ZINC001047618786 936010980 /nfs/dbraw/zinc/01/09/80/936010980.db2.gz OHUAJODCAKTUSY-UWVGGRQHSA-N 1 2 298.795 1.152 20 30 CDEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(Cl)s2)C1 ZINC001047618786 936010982 /nfs/dbraw/zinc/01/09/82/936010982.db2.gz OHUAJODCAKTUSY-UWVGGRQHSA-N 1 2 298.795 1.152 20 30 CDEDLO Cc1nc(N[C@H]2C[C@@H](NC(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001097165192 936279981 /nfs/dbraw/zinc/27/99/81/936279981.db2.gz WMKUCLFPXWVRNR-IEBDPFPHSA-N 1 2 259.313 1.004 20 30 CDEDLO C=CCC[C@H]1CCCN1C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC001120733616 937830972 /nfs/dbraw/zinc/83/09/72/937830972.db2.gz OWYXEWWFSAQUCL-GJZGRUSLSA-N 1 2 279.428 1.580 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1cc(N)cc(Cl)n1 ZINC001156319771 938351411 /nfs/dbraw/zinc/35/14/11/938351411.db2.gz FCAZBTNWDUWKJO-QMMMGPOBSA-N 1 2 287.701 1.164 20 30 CDEDLO CCN(CC)C(=O)[C@@H](C)Nc1cc(CC#N)cc[nH+]1 ZINC001156364513 938358448 /nfs/dbraw/zinc/35/84/48/938358448.db2.gz VOEZNLRGWIKQJZ-LLVKDONJSA-N 1 2 260.341 1.816 20 30 CDEDLO Cc1c[nH+]c(NCC(C)(C)C(N)=O)c(/C=N/O)c1 ZINC001156738375 938412665 /nfs/dbraw/zinc/41/26/65/938412665.db2.gz GQMNFCPAVUKRSC-OMCISZLKSA-N 1 2 250.302 1.122 20 30 CDEDLO Cn1c[nH+]cc1CN1CC(Oc2ccccc2C#N)C1 ZINC001204389645 938801828 /nfs/dbraw/zinc/80/18/28/938801828.db2.gz XJFSDIOHACHUDB-UHFFFAOYSA-N 1 2 268.320 1.555 20 30 CDEDLO Cc1cc(N(C(N)=[NH2+])c2nc(C)ccc2CC#N)[nH]n1 ZINC001163512568 939280650 /nfs/dbraw/zinc/28/06/50/939280650.db2.gz XZDYSIYWUOPFPY-UHFFFAOYSA-N 1 2 269.312 1.519 20 30 CDEDLO CCc1cc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)ccc1C#N ZINC001238779978 945247603 /nfs/dbraw/zinc/24/76/03/945247603.db2.gz ZUZGTUBWGNIBMW-OAHLLOKOSA-N 1 2 292.404 1.740 20 30 CDEDLO CCc1cc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)ccc1C#N ZINC001238779978 945247612 /nfs/dbraw/zinc/24/76/12/945247612.db2.gz ZUZGTUBWGNIBMW-OAHLLOKOSA-N 1 2 292.404 1.740 20 30 CDEDLO N#Cc1c[nH]c2cc[nH+]c(N3C[C@@H](F)C[C@H](CO)C3)c12 ZINC001164041601 939394377 /nfs/dbraw/zinc/39/43/77/939394377.db2.gz BTCGIVIIYIBTKM-ONGXEEELSA-N 1 2 274.299 1.591 20 30 CDEDLO Cc1cc(C)[nH+]c(Cn2c(N)nc(C#N)c2C#N)c1 ZINC001165509691 939568114 /nfs/dbraw/zinc/56/81/14/939568114.db2.gz ACAIXWCYIGCGEC-UHFFFAOYSA-N 1 2 252.281 1.269 20 30 CDEDLO CCC1=C(OCCCN2CC[NH+](C)CC2)C(=O)[C@H](C)O1 ZINC001206591416 940067092 /nfs/dbraw/zinc/06/70/92/940067092.db2.gz UIMDOFAQSWGKBY-LBPRGKRZSA-N 1 2 282.384 1.250 20 30 CDEDLO CCCC[N@H+](CC#N)C[C@H]1CCCN(C(C)=O)C1 ZINC001208981764 940418119 /nfs/dbraw/zinc/41/81/19/940418119.db2.gz KZLKTYIADHHXQR-CQSZACIVSA-N 1 2 251.374 1.871 20 30 CDEDLO CCCC[N@@H+](CC#N)C[C@H]1CCCN(C(C)=O)C1 ZINC001208981764 940418121 /nfs/dbraw/zinc/41/81/21/940418121.db2.gz KZLKTYIADHHXQR-CQSZACIVSA-N 1 2 251.374 1.871 20 30 CDEDLO C#Cc1cc(Nc2ccc(C(=O)NC)cc2OC)cc[nH+]1 ZINC001215624524 940898098 /nfs/dbraw/zinc/89/80/98/940898098.db2.gz SIFKNKPKBONCTR-UHFFFAOYSA-N 1 2 281.315 1.597 20 30 CDEDLO CC(C)C#CC(=O)N1CCO[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]21 ZINC001217840666 941023586 /nfs/dbraw/zinc/02/35/86/941023586.db2.gz ZZVNCZGBUYZLTH-DZYGNGBISA-N 1 2 296.798 1.310 20 30 CDEDLO CC(C)C#CC(=O)N1CCO[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]21 ZINC001217840666 941023590 /nfs/dbraw/zinc/02/35/90/941023590.db2.gz ZZVNCZGBUYZLTH-DZYGNGBISA-N 1 2 296.798 1.310 20 30 CDEDLO C=C1CC[NH2+]C[C@@H]1Oc1[nH]c(=O)nc2cccc(F)c21 ZINC001218209392 941044265 /nfs/dbraw/zinc/04/42/65/941044265.db2.gz XURDAPAXUQKWKL-NSHDSACASA-N 1 2 275.283 1.771 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCCCC(C)C)[C@H]2C1 ZINC001218809698 941273791 /nfs/dbraw/zinc/27/37/91/941273791.db2.gz OVPDFWVWMFYKER-JKSUJKDBSA-N 1 2 292.423 1.748 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCCCC(C)C)[C@H]2C1 ZINC001218809698 941273792 /nfs/dbraw/zinc/27/37/92/941273792.db2.gz OVPDFWVWMFYKER-JKSUJKDBSA-N 1 2 292.423 1.748 20 30 CDEDLO C=CCCOCC(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001222071528 941560198 /nfs/dbraw/zinc/56/01/98/941560198.db2.gz BYGQLJMLPKSGEK-CHWSQXEVSA-N 1 2 270.348 1.081 20 30 CDEDLO C=CCCOCC(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001222071528 941560200 /nfs/dbraw/zinc/56/02/00/941560200.db2.gz BYGQLJMLPKSGEK-CHWSQXEVSA-N 1 2 270.348 1.081 20 30 CDEDLO CCOC(=O)C[C@@H](CC#N)OCCn1cc[nH+]c1 ZINC001222134578 941568115 /nfs/dbraw/zinc/56/81/15/941568115.db2.gz GTWWUFVRFYPWIX-LLVKDONJSA-N 1 2 251.286 1.135 20 30 CDEDLO C#CC[NH+]1CCC(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001223257599 941665746 /nfs/dbraw/zinc/66/57/46/941665746.db2.gz BLNCZIIFJTZFKU-JTQLQIEISA-N 1 2 280.265 1.348 20 30 CDEDLO C#CC[NH+]1CCC(CNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001223257599 941665748 /nfs/dbraw/zinc/66/57/48/941665748.db2.gz BLNCZIIFJTZFKU-JTQLQIEISA-N 1 2 280.265 1.348 20 30 CDEDLO N#Cc1cccc(N2CC3(CC[N@@H+]3Cc3cn[nH]c3)C2)c1 ZINC001276954326 941731906 /nfs/dbraw/zinc/73/19/06/941731906.db2.gz ZJRHETFOUBJUAW-UHFFFAOYSA-N 1 2 279.347 1.746 20 30 CDEDLO N#Cc1cccc(N2CC3(CC[N@H+]3Cc3cn[nH]c3)C2)c1 ZINC001276954326 941731910 /nfs/dbraw/zinc/73/19/10/941731910.db2.gz ZJRHETFOUBJUAW-UHFFFAOYSA-N 1 2 279.347 1.746 20 30 CDEDLO CN1CC[NH+](CCO[C@@H](C#N)c2ccccc2)CC1 ZINC001224550915 941769112 /nfs/dbraw/zinc/76/91/12/941769112.db2.gz BCGRIFNSYNPKCY-HNNXBMFYSA-N 1 2 259.353 1.515 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(C#N)c(F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225354085 941847978 /nfs/dbraw/zinc/84/79/78/941847978.db2.gz FKFCFKSWMPIIKH-GAAPNJIFSA-N 1 2 274.295 1.689 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(C#N)c(F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225354085 941847983 /nfs/dbraw/zinc/84/79/83/941847983.db2.gz FKFCFKSWMPIIKH-GAAPNJIFSA-N 1 2 274.295 1.689 20 30 CDEDLO C[C@@H](c1ncccn1)[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001227299526 942165198 /nfs/dbraw/zinc/16/51/98/942165198.db2.gz SRUWRXNEAQIOPQ-ZDUSSCGKSA-N 1 2 298.390 1.532 20 30 CDEDLO CC(C)OCC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230522029 942631670 /nfs/dbraw/zinc/63/16/70/942631670.db2.gz GGLOFYZBOMFQAL-OAHLLOKOSA-N 1 2 293.411 1.638 20 30 CDEDLO CC(C)OCC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001230522029 942631674 /nfs/dbraw/zinc/63/16/74/942631674.db2.gz GGLOFYZBOMFQAL-OAHLLOKOSA-N 1 2 293.411 1.638 20 30 CDEDLO CO[C@H](C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230538225 942633972 /nfs/dbraw/zinc/63/39/72/942633972.db2.gz QWBBMJKLKOCRCJ-HIFRSBDPSA-N 1 2 293.411 1.638 20 30 CDEDLO CO[C@H](C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001230538225 942633976 /nfs/dbraw/zinc/63/39/76/942633976.db2.gz QWBBMJKLKOCRCJ-HIFRSBDPSA-N 1 2 293.411 1.638 20 30 CDEDLO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001316616815 942648251 /nfs/dbraw/zinc/64/82/51/942648251.db2.gz ZBYYQAVKGFTLRK-HRDYMLBCSA-N 1 2 266.238 1.004 20 30 CDEDLO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001316616815 942648254 /nfs/dbraw/zinc/64/82/54/942648254.db2.gz ZBYYQAVKGFTLRK-HRDYMLBCSA-N 1 2 266.238 1.004 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nccc4[nH]ccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230689166 942675687 /nfs/dbraw/zinc/67/56/87/942675687.db2.gz SKNCWIRFLAITKA-UBYSCORNSA-N 1 2 271.320 1.554 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nccc4[nH]ccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230689166 942675689 /nfs/dbraw/zinc/67/56/89/942675689.db2.gz SKNCWIRFLAITKA-UBYSCORNSA-N 1 2 271.320 1.554 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCC(C)C ZINC001230721380 942683722 /nfs/dbraw/zinc/68/37/22/942683722.db2.gz OLEDMYBEZWBPSI-AWEZNQCLSA-N 1 2 295.427 1.258 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCC(C)C ZINC001230721380 942683726 /nfs/dbraw/zinc/68/37/26/942683726.db2.gz OLEDMYBEZWBPSI-AWEZNQCLSA-N 1 2 295.427 1.258 20 30 CDEDLO Cc1cncc(C[N@H+]2CC[C@@H]2CN(C)C(=O)[C@@H](C)C#N)c1 ZINC001231247035 942832343 /nfs/dbraw/zinc/83/23/43/942832343.db2.gz JWIQKKGUSVXGMF-DZGCQCFKSA-N 1 2 286.379 1.582 20 30 CDEDLO Cc1cncc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)[C@@H](C)C#N)c1 ZINC001231247035 942832346 /nfs/dbraw/zinc/83/23/46/942832346.db2.gz JWIQKKGUSVXGMF-DZGCQCFKSA-N 1 2 286.379 1.582 20 30 CDEDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccn2)C1 ZINC001232482540 943296122 /nfs/dbraw/zinc/29/61/22/943296122.db2.gz YCIJICBNNMYVDK-CYBMUJFWSA-N 1 2 287.367 1.189 20 30 CDEDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001232482540 943296125 /nfs/dbraw/zinc/29/61/25/943296125.db2.gz YCIJICBNNMYVDK-CYBMUJFWSA-N 1 2 287.367 1.189 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC001232679197 943361369 /nfs/dbraw/zinc/36/13/69/943361369.db2.gz GUEPPIXKDYAGQJ-OAHLLOKOSA-N 1 2 287.363 1.170 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC001232679197 943361376 /nfs/dbraw/zinc/36/13/76/943361376.db2.gz GUEPPIXKDYAGQJ-OAHLLOKOSA-N 1 2 287.363 1.170 20 30 CDEDLO COc1ncnc2c1CC[N@H+](Cc1[nH]ccc1C#N)CC2 ZINC001233044307 943473143 /nfs/dbraw/zinc/47/31/43/943473143.db2.gz IYVHRWVIEBMEKT-UHFFFAOYSA-N 1 2 283.335 1.286 20 30 CDEDLO COc1ncnc2c1CC[N@@H+](Cc1[nH]ccc1C#N)CC2 ZINC001233044307 943473149 /nfs/dbraw/zinc/47/31/49/943473149.db2.gz IYVHRWVIEBMEKT-UHFFFAOYSA-N 1 2 283.335 1.286 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc(O)c3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233871941 943677082 /nfs/dbraw/zinc/67/70/82/943677082.db2.gz SHAVQUUDCJKMCC-KLXOBDOZSA-N 1 2 265.284 1.523 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc(O)c3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233871941 943677087 /nfs/dbraw/zinc/67/70/87/943677087.db2.gz SHAVQUUDCJKMCC-KLXOBDOZSA-N 1 2 265.284 1.523 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cncn1C ZINC001233966514 943703259 /nfs/dbraw/zinc/70/32/59/943703259.db2.gz NDIGWJQOJSUHJZ-AWEZNQCLSA-N 1 2 288.395 1.256 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cncn1C ZINC001233966514 943703260 /nfs/dbraw/zinc/70/32/60/943703260.db2.gz NDIGWJQOJSUHJZ-AWEZNQCLSA-N 1 2 288.395 1.256 20 30 CDEDLO C=C(C)CN(CC)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001263778927 943971068 /nfs/dbraw/zinc/97/10/68/943971068.db2.gz UWHZOJKBJSSHGU-KBPBESRZSA-N 1 2 282.432 1.228 20 30 CDEDLO C=C(C)CN(CC)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001263778927 943971070 /nfs/dbraw/zinc/97/10/70/943971070.db2.gz UWHZOJKBJSSHGU-KBPBESRZSA-N 1 2 282.432 1.228 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(F)CCOCC1 ZINC001235123189 944063817 /nfs/dbraw/zinc/06/38/17/944063817.db2.gz LJPWYSNPEUMVGM-ZDUSSCGKSA-N 1 2 282.359 1.061 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(F)CCOCC1 ZINC001235123189 944063822 /nfs/dbraw/zinc/06/38/22/944063822.db2.gz LJPWYSNPEUMVGM-ZDUSSCGKSA-N 1 2 282.359 1.061 20 30 CDEDLO N#CCC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)Nc1cccnc1 ZINC001277940533 944137020 /nfs/dbraw/zinc/13/70/20/944137020.db2.gz CKULWEDALBMVEK-KBPBESRZSA-N 1 2 285.351 1.676 20 30 CDEDLO N#CCC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)Nc1cccnc1 ZINC001277940533 944137023 /nfs/dbraw/zinc/13/70/23/944137023.db2.gz CKULWEDALBMVEK-KBPBESRZSA-N 1 2 285.351 1.676 20 30 CDEDLO COC1(CC(=O)N2C[C@H]3C[C@@H](C2)[N@H+]3CCCC#N)CCC1 ZINC001277941911 944141062 /nfs/dbraw/zinc/14/10/62/944141062.db2.gz XCDAEJBFEMYJAW-OKILXGFUSA-N 1 2 291.395 1.534 20 30 CDEDLO COC1(CC(=O)N2C[C@H]3C[C@@H](C2)[N@@H+]3CCCC#N)CCC1 ZINC001277941911 944141063 /nfs/dbraw/zinc/14/10/63/944141063.db2.gz XCDAEJBFEMYJAW-OKILXGFUSA-N 1 2 291.395 1.534 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1ccon1 ZINC001235435862 944154740 /nfs/dbraw/zinc/15/47/40/944154740.db2.gz ATHNKXCRFFAUMS-UHFFFAOYSA-N 1 2 251.330 1.579 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1ccon1 ZINC001235435862 944154746 /nfs/dbraw/zinc/15/47/46/944154746.db2.gz ATHNKXCRFFAUMS-UHFFFAOYSA-N 1 2 251.330 1.579 20 30 CDEDLO CC[N@@H+]1CCc2onc(C(=O)NC3(C#N)CCC3)c2C1 ZINC001278161535 945000508 /nfs/dbraw/zinc/00/05/08/945000508.db2.gz YJFWOMGLRXYCFW-UHFFFAOYSA-N 1 2 274.324 1.229 20 30 CDEDLO CC[N@H+]1CCc2onc(C(=O)NC3(C#N)CCC3)c2C1 ZINC001278161535 945000523 /nfs/dbraw/zinc/00/05/23/945000523.db2.gz YJFWOMGLRXYCFW-UHFFFAOYSA-N 1 2 274.324 1.229 20 30 CDEDLO C=CCS(=O)(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001259935775 945724422 /nfs/dbraw/zinc/72/44/22/945724422.db2.gz TXMLSAHKKDIDCA-GFCCVEGCSA-N 1 2 281.381 1.156 20 30 CDEDLO C#C[C@@H](CC)NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001261660911 946220365 /nfs/dbraw/zinc/22/03/65/946220365.db2.gz ZLDPYEGAHGBPTH-KGLIPLIRSA-N 1 2 288.395 1.796 20 30 CDEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(C(=O)c3cccnc3)CC2)C1 ZINC001254674457 947586545 /nfs/dbraw/zinc/58/65/45/947586545.db2.gz ZNEIAMXTUIZSPU-UKRRQHHQSA-N 1 2 284.363 1.532 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1cc(OC2COC2)ccn1 ZINC001255156576 947755522 /nfs/dbraw/zinc/75/55/22/947755522.db2.gz QJPBHJIFUOPYRA-LLVKDONJSA-N 1 2 261.325 1.641 20 30 CDEDLO CC[C@@H](CC#N)N[C@@H](CCc1cn(C)c[nH+]1)C(=O)OC ZINC001255165068 947760464 /nfs/dbraw/zinc/76/04/64/947760464.db2.gz SZKCKZVMKGRJJB-AAEUAGOBSA-N 1 2 278.356 1.176 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001255168879 947761758 /nfs/dbraw/zinc/76/17/58/947761758.db2.gz XQDZKPBTZSQLQA-OWCLPIDISA-N 1 2 298.390 1.949 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001255168879 947761765 /nfs/dbraw/zinc/76/17/65/947761765.db2.gz XQDZKPBTZSQLQA-OWCLPIDISA-N 1 2 298.390 1.949 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@@H](Oc2nc(C)cc(OC)n2)C1 ZINC001255177451 947767815 /nfs/dbraw/zinc/76/78/15/947767815.db2.gz SABQAZISOMAIMN-QWHCGFSZSA-N 1 2 290.367 1.939 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CC[C@@H](Oc2nc(C)cc(OC)n2)C1 ZINC001255177451 947767820 /nfs/dbraw/zinc/76/78/20/947767820.db2.gz SABQAZISOMAIMN-QWHCGFSZSA-N 1 2 290.367 1.939 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H](NC(=O)C2CCOCC2)C1 ZINC001255177387 947768271 /nfs/dbraw/zinc/76/82/71/947768271.db2.gz QRPVDOLFVUFCPB-CABCVRRESA-N 1 2 293.411 1.686 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@@H](NC(=O)C2CCOCC2)C1 ZINC001255177387 947768276 /nfs/dbraw/zinc/76/82/76/947768276.db2.gz QRPVDOLFVUFCPB-CABCVRRESA-N 1 2 293.411 1.686 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256808331 948428216 /nfs/dbraw/zinc/42/82/16/948428216.db2.gz DLHNRDLHGGWPMJ-XHSDSOJGSA-N 1 2 271.364 1.704 20 30 CDEDLO CC(C)(C)OC(=O)[C@H](CO)[NH2+]C1CCC(C#N)CC1 ZINC001256959292 948463071 /nfs/dbraw/zinc/46/30/71/948463071.db2.gz XJWLKVDBMSQILD-MCIGGMRASA-N 1 2 268.357 1.361 20 30 CDEDLO Cc1cc(-c2noc([C@H]3C[N@@H+](C)CCO3)n2)ccc1C#N ZINC001248228805 948981402 /nfs/dbraw/zinc/98/14/02/948981402.db2.gz QIJJNDQKGMBIMR-CYBMUJFWSA-N 1 2 284.319 1.920 20 30 CDEDLO Cc1cc(-c2noc([C@H]3C[N@H+](C)CCO3)n2)ccc1C#N ZINC001248228805 948981394 /nfs/dbraw/zinc/98/13/94/948981394.db2.gz QIJJNDQKGMBIMR-CYBMUJFWSA-N 1 2 284.319 1.920 20 30 CDEDLO C#C[C@@H]1CCC[N@@H+](Cc2cnc(N)nc2C(F)(F)F)C1 ZINC001249395182 949553596 /nfs/dbraw/zinc/55/35/96/949553596.db2.gz VWJUCEYLUZJDPN-SECBINFHSA-N 1 2 284.285 1.923 20 30 CDEDLO C#C[C@@H]1CCC[N@H+](Cc2cnc(N)nc2C(F)(F)F)C1 ZINC001249395182 949553605 /nfs/dbraw/zinc/55/36/05/949553605.db2.gz VWJUCEYLUZJDPN-SECBINFHSA-N 1 2 284.285 1.923 20 30 CDEDLO N#C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc(F)c2)C1 ZINC001250809046 950387484 /nfs/dbraw/zinc/38/74/84/950387484.db2.gz MUASVACZPWGJBT-AAEUAGOBSA-N 1 2 264.300 1.411 20 30 CDEDLO N#C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc(F)c2)C1 ZINC001250809046 950387498 /nfs/dbraw/zinc/38/74/98/950387498.db2.gz MUASVACZPWGJBT-AAEUAGOBSA-N 1 2 264.300 1.411 20 30 CDEDLO Cc1sc(NC[C@H](O)C[NH+]2CCOCC2)c(C#N)c1C ZINC001251003685 950552432 /nfs/dbraw/zinc/55/24/32/950552432.db2.gz ODAYAEIQNIKXNH-LBPRGKRZSA-N 1 2 295.408 1.342 20 30 CDEDLO C=CCOC[C@@H](O)CNc1ccc(N(C)CC)[nH+]c1 ZINC001252459207 951303608 /nfs/dbraw/zinc/30/36/08/951303608.db2.gz VVIRYFLEOUMRND-ZDUSSCGKSA-N 1 2 265.357 1.513 20 30 CDEDLO C=CCC[C@@H](O)C[NH2+][C@H](C(=O)OCC)[C@@H](C)CC ZINC001252618113 951509725 /nfs/dbraw/zinc/50/97/25/951509725.db2.gz PCLSRXZBQCAZSK-XQQFMLRXSA-N 1 2 257.374 1.881 20 30 CDEDLO COc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](C#N)C2)cc1 ZINC001252719004 951611588 /nfs/dbraw/zinc/61/15/88/951611588.db2.gz TVMSQJQIGWUAEE-OLZOCXBDSA-N 1 2 276.336 1.280 20 30 CDEDLO COc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](C#N)C2)cc1 ZINC001252719004 951611594 /nfs/dbraw/zinc/61/15/94/951611594.db2.gz TVMSQJQIGWUAEE-OLZOCXBDSA-N 1 2 276.336 1.280 20 30 CDEDLO C=C[C@H](O)C[N@@H+](C)[C@@H](Cc1ccccc1)C(=O)OC ZINC001253586557 951978146 /nfs/dbraw/zinc/97/81/46/951978146.db2.gz PKUFJLDTYKFSAX-KBPBESRZSA-N 1 2 263.337 1.249 20 30 CDEDLO C=C[C@H](O)C[N@H+](C)[C@@H](Cc1ccccc1)C(=O)OC ZINC001253586557 951978163 /nfs/dbraw/zinc/97/81/63/951978163.db2.gz PKUFJLDTYKFSAX-KBPBESRZSA-N 1 2 263.337 1.249 20 30 CDEDLO COc1ncc(NC(=O)CCc2c[nH]c[nH+]2)cc1C#N ZINC001363973752 954092138 /nfs/dbraw/zinc/09/21/38/954092138.db2.gz SGKWLNQOGKOYTL-UHFFFAOYSA-N 1 2 271.280 1.256 20 30 CDEDLO COc1ncc(NC(=O)CCc2c[nH+]c[nH]2)cc1C#N ZINC001363973752 954092152 /nfs/dbraw/zinc/09/21/52/954092152.db2.gz SGKWLNQOGKOYTL-UHFFFAOYSA-N 1 2 271.280 1.256 20 30 CDEDLO CCc1[nH]c(CNS(=O)(=O)c2ccccc2C#N)c[nH+]1 ZINC001364966204 955433960 /nfs/dbraw/zinc/43/39/60/955433960.db2.gz GYNFDOKBCHKWDO-UHFFFAOYSA-N 1 2 290.348 1.322 20 30 CDEDLO CCc1[nH]cc(CNS(=O)(=O)c2ccccc2C#N)[nH+]1 ZINC001364966204 955433965 /nfs/dbraw/zinc/43/39/65/955433965.db2.gz GYNFDOKBCHKWDO-UHFFFAOYSA-N 1 2 290.348 1.322 20 30 CDEDLO Cc1nc([C@H](C)[NH2+]C[C@@H](O)CC(C)(C)C#N)no1 ZINC001331035100 956779459 /nfs/dbraw/zinc/77/94/59/956779459.db2.gz RICPABZTZOOGIO-WPRPVWTQSA-N 1 2 252.318 1.329 20 30 CDEDLO C#CCNC(=O)C[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC001319493075 958592463 /nfs/dbraw/zinc/59/24/63/958592463.db2.gz QAEUEQDWTBADPY-UHFFFAOYSA-N 1 2 255.321 1.349 20 30 CDEDLO C#CCNC(=O)C[N@H+](C)Cc1cc2ccccc2[nH]1 ZINC001319493075 958592471 /nfs/dbraw/zinc/59/24/71/958592471.db2.gz QAEUEQDWTBADPY-UHFFFAOYSA-N 1 2 255.321 1.349 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc[nH]n1 ZINC001319979679 958835652 /nfs/dbraw/zinc/83/56/52/958835652.db2.gz YYTRPGUINQOSBX-UHFFFAOYSA-N 1 2 256.737 1.166 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc[nH]n1 ZINC001319979679 958835672 /nfs/dbraw/zinc/83/56/72/958835672.db2.gz YYTRPGUINQOSBX-UHFFFAOYSA-N 1 2 256.737 1.166 20 30 CDEDLO C=CC[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(=O)OCC ZINC001334339853 959038520 /nfs/dbraw/zinc/03/85/20/959038520.db2.gz JVASISFQGMAYQM-VXGBXAGGSA-N 1 2 291.351 1.070 20 30 CDEDLO C=C[C@@H](COC)NC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC001320301693 959059610 /nfs/dbraw/zinc/05/96/10/959059610.db2.gz HOXNTFBLUPHSNA-NSHDSACASA-N 1 2 278.356 1.779 20 30 CDEDLO C=C[C@H](CC)CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC001334745530 959326531 /nfs/dbraw/zinc/32/65/31/959326531.db2.gz HVZZMGAKDQJNBX-CHWSQXEVSA-N 1 2 254.374 1.426 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCc2cn[nH]c2)C1 ZINC001370033973 959966623 /nfs/dbraw/zinc/96/66/23/959966623.db2.gz RAYCHBRXUGREKI-GFCCVEGCSA-N 1 2 282.775 1.285 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCc2cn[nH]c2)C1 ZINC001370033973 959966633 /nfs/dbraw/zinc/96/66/33/959966633.db2.gz RAYCHBRXUGREKI-GFCCVEGCSA-N 1 2 282.775 1.285 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cccn1 ZINC001418592361 960766704 /nfs/dbraw/zinc/76/67/04/960766704.db2.gz ZVRYXYWRNMYMNT-GFCCVEGCSA-N 1 2 282.775 1.216 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cccn1 ZINC001418592361 960766717 /nfs/dbraw/zinc/76/67/17/960766717.db2.gz ZVRYXYWRNMYMNT-GFCCVEGCSA-N 1 2 282.775 1.216 20 30 CDEDLO CCO[NH+]=Cc1sc(N2CCOCC2)nc1C ZINC001337084384 960921444 /nfs/dbraw/zinc/92/14/44/960921444.db2.gz MLTCAYZWRJUIIK-UHFFFAOYSA-N 1 2 255.343 1.659 20 30 CDEDLO N#C[C@]1(C(=O)N2CCn3c[nH+]cc3C2)CC12CCCC2 ZINC001434047860 960930620 /nfs/dbraw/zinc/93/06/20/960930620.db2.gz XDYOBBMIBJIJSM-HNNXBMFYSA-N 1 2 270.336 1.699 20 30 CDEDLO C=CCCn1cc(C(=O)Nc2c(C)c[nH+]cc2C)nn1 ZINC001337509851 961244663 /nfs/dbraw/zinc/24/46/63/961244663.db2.gz NFQZGGMYBFKNAW-UHFFFAOYSA-N 1 2 271.324 1.540 20 30 CDEDLO C#CC[C@H](CC)c1nnc(N2CC[NH+](CC#C)CC2)n1C ZINC001337966042 961545423 /nfs/dbraw/zinc/54/54/23/961545423.db2.gz FZUHKFKPLRGVFJ-AWEZNQCLSA-N 1 2 285.395 1.087 20 30 CDEDLO C#C[C@@H](C)N(C)c1nnc(C[NH+]2CCCCC2)n1CC ZINC001339652781 962471041 /nfs/dbraw/zinc/47/10/41/962471041.db2.gz NAXDAHXTWKDYGH-CYBMUJFWSA-N 1 2 275.400 1.742 20 30 CDEDLO Cc1[nH]c(CNc2nnc(C)c(C)c2C#N)[nH+]c1C ZINC001339815123 962554497 /nfs/dbraw/zinc/55/44/97/962554497.db2.gz JQAJZYNOMOAKFW-UHFFFAOYSA-N 1 2 256.313 1.917 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)Cn2cccn2)C1 ZINC001421189991 963491963 /nfs/dbraw/zinc/49/19/63/963491963.db2.gz HBBHMRJDRXOREV-CYBMUJFWSA-N 1 2 282.775 1.216 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2cccn2)C1 ZINC001421189991 963491967 /nfs/dbraw/zinc/49/19/67/963491967.db2.gz HBBHMRJDRXOREV-CYBMUJFWSA-N 1 2 282.775 1.216 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@@H]1CCCOC1 ZINC001438934876 963606586 /nfs/dbraw/zinc/60/65/86/963606586.db2.gz OSVHCJUHFGOSPT-ZDUSSCGKSA-N 1 2 288.819 1.946 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@@H]1CCCOC1 ZINC001438934876 963606591 /nfs/dbraw/zinc/60/65/91/963606591.db2.gz OSVHCJUHFGOSPT-ZDUSSCGKSA-N 1 2 288.819 1.946 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1cnn(C)c1 ZINC001439301349 963707747 /nfs/dbraw/zinc/70/77/47/963707747.db2.gz DDXRBDJLVJTISU-LLVKDONJSA-N 1 2 284.791 1.152 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1cnn(C)c1 ZINC001439301349 963707760 /nfs/dbraw/zinc/70/77/60/963707760.db2.gz DDXRBDJLVJTISU-LLVKDONJSA-N 1 2 284.791 1.152 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CC1(O)CCC1 ZINC001440913168 964252998 /nfs/dbraw/zinc/25/29/98/964252998.db2.gz CETWVNSBNTUMGJ-NSHDSACASA-N 1 2 274.792 1.481 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CC1(O)CCC1 ZINC001440913168 964253006 /nfs/dbraw/zinc/25/30/06/964253006.db2.gz CETWVNSBNTUMGJ-NSHDSACASA-N 1 2 274.792 1.481 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2ccn(C)n2)C1 ZINC001441161613 964399706 /nfs/dbraw/zinc/39/97/06/964399706.db2.gz BNTHBCYRGADCGY-NSHDSACASA-N 1 2 296.802 1.152 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)CCCC(C)=O)C1 ZINC001442837190 965233178 /nfs/dbraw/zinc/23/31/78/965233178.db2.gz LTJVHJOUJHHSOJ-ZDUSSCGKSA-N 1 2 286.803 1.936 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)CCCC(C)=O)C1 ZINC001442837190 965233185 /nfs/dbraw/zinc/23/31/85/965233185.db2.gz LTJVHJOUJHHSOJ-ZDUSSCGKSA-N 1 2 286.803 1.936 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)c1cc(C#N)ccc1F ZINC001447631600 966834997 /nfs/dbraw/zinc/83/49/97/966834997.db2.gz MVNYLRJEIBTSMW-UHFFFAOYSA-N 1 2 272.283 1.403 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnn(C)c1C ZINC001447983057 966946800 /nfs/dbraw/zinc/94/68/00/966946800.db2.gz DTDGKJBQZYAVIF-JTQLQIEISA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnn(C)c1C ZINC001447983057 966946802 /nfs/dbraw/zinc/94/68/02/966946802.db2.gz DTDGKJBQZYAVIF-JTQLQIEISA-N 1 2 284.791 1.531 20 30 CDEDLO C[C@H](C#N)C(=O)NCC1CC([NH2+]CC(F)(F)C(F)F)C1 ZINC001100198357 967622165 /nfs/dbraw/zinc/62/21/65/967622165.db2.gz XLUBWYKFQMRQMA-AFPNSQJFSA-N 1 2 295.280 1.531 20 30 CDEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCOCC1 ZINC001355929504 969298829 /nfs/dbraw/zinc/29/88/29/969298829.db2.gz KLCVQBAFVVYGCP-ZDUSSCGKSA-N 1 2 291.399 1.458 20 30 CDEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCOCC1 ZINC001355929504 969298837 /nfs/dbraw/zinc/29/88/37/969298837.db2.gz KLCVQBAFVVYGCP-ZDUSSCGKSA-N 1 2 291.399 1.458 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)COC(C)C ZINC001377387460 975001159 /nfs/dbraw/zinc/00/11/59/975001159.db2.gz TYKVBUTTZDLUAU-GFCCVEGCSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)COC(C)C ZINC001377387460 975001163 /nfs/dbraw/zinc/00/11/63/975001163.db2.gz TYKVBUTTZDLUAU-GFCCVEGCSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc(C)on1 ZINC001377993861 975196487 /nfs/dbraw/zinc/19/64/87/975196487.db2.gz UPAYMRHJPUTYMK-VIFPVBQESA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(C)on1 ZINC001377993861 975196491 /nfs/dbraw/zinc/19/64/91/975196491.db2.gz UPAYMRHJPUTYMK-VIFPVBQESA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc2n(n1)CCO2 ZINC001379059705 975627019 /nfs/dbraw/zinc/62/70/19/975627019.db2.gz BGJBBMGFRZZXQU-UHFFFAOYSA-N 1 2 298.774 1.032 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc2n(n1)CCO2 ZINC001379059705 975627028 /nfs/dbraw/zinc/62/70/28/975627028.db2.gz BGJBBMGFRZZXQU-UHFFFAOYSA-N 1 2 298.774 1.032 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccns1 ZINC001401373068 975627807 /nfs/dbraw/zinc/62/78/07/975627807.db2.gz YAALQWXYOJZMRK-UHFFFAOYSA-N 1 2 273.789 1.899 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccns1 ZINC001401373068 975627812 /nfs/dbraw/zinc/62/78/12/975627812.db2.gz YAALQWXYOJZMRK-UHFFFAOYSA-N 1 2 273.789 1.899 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccnc(C)n1 ZINC001401434855 975662203 /nfs/dbraw/zinc/66/22/03/975662203.db2.gz DHTYDRAQBQZNEQ-UHFFFAOYSA-N 1 2 282.775 1.541 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccnc(C)n1 ZINC001401434855 975662205 /nfs/dbraw/zinc/66/22/05/975662205.db2.gz DHTYDRAQBQZNEQ-UHFFFAOYSA-N 1 2 282.775 1.541 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCn1nc(C)cc1C ZINC001399546467 976557153 /nfs/dbraw/zinc/55/71/53/976557153.db2.gz HWKLTPMVIDOVQL-UHFFFAOYSA-N 1 2 298.818 1.691 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCn1nc(C)cc1C ZINC001399546467 976557159 /nfs/dbraw/zinc/55/71/59/976557159.db2.gz HWKLTPMVIDOVQL-UHFFFAOYSA-N 1 2 298.818 1.691 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+][C@H](C)c1nnc(CC)o1 ZINC001132395519 1163265382 /nfs/dbraw/zinc/26/53/82/1163265382.db2.gz DSCMDRLVTQYXDN-SNVBAGLBSA-N 1 2 280.372 1.611 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]Cc1nn(C)cc1Cl ZINC001132652966 1163426659 /nfs/dbraw/zinc/42/66/59/1163426659.db2.gz ATSFWCKWJRTJCV-LLVKDONJSA-N 1 2 298.818 1.882 20 30 CDEDLO C=C1CCC(C(=O)NCC[NH2+]Cc2ncccn2)CC1 ZINC001133369206 1163658329 /nfs/dbraw/zinc/65/83/29/1163658329.db2.gz RMFFUQSUNZXOIO-UHFFFAOYSA-N 1 2 274.368 1.429 20 30 CDEDLO C=CCCC1(C(=O)NCC[NH2+][C@H](C)c2nnc(C)o2)CC1 ZINC001133374359 1163661143 /nfs/dbraw/zinc/66/11/43/1163661143.db2.gz UPTGWJBWIIRYKV-LLVKDONJSA-N 1 2 292.383 1.891 20 30 CDEDLO CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1(C#N)CCC1 ZINC001597909006 1174298041 /nfs/dbraw/zinc/29/80/41/1174298041.db2.gz URWRDAAVHCRTGQ-LLVKDONJSA-N 1 2 258.325 1.350 20 30 CDEDLO C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1nnc[nH]1 ZINC000177139860 342450218 /nfs/dbraw/zinc/45/02/18/342450218.db2.gz ZKFYROIWKGZBQR-UHFFFAOYSA-N 1 2 290.352 1.198 20 30 CDEDLO C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1nnc[nH]1 ZINC000177139860 342450219 /nfs/dbraw/zinc/45/02/19/342450219.db2.gz ZKFYROIWKGZBQR-UHFFFAOYSA-N 1 2 290.352 1.198 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000589272618 342502932 /nfs/dbraw/zinc/50/29/32/342502932.db2.gz BXPZGOLJFBXOTC-UTUOFQBUSA-N 1 2 253.342 1.603 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000589272618 342502933 /nfs/dbraw/zinc/50/29/33/342502933.db2.gz BXPZGOLJFBXOTC-UTUOFQBUSA-N 1 2 253.342 1.603 20 30 CDEDLO N#Cc1cccc(C(=O)NCCCCNc2cccc[nH+]2)n1 ZINC000589393522 342504899 /nfs/dbraw/zinc/50/48/99/342504899.db2.gz CJFJLXSUMROURL-UHFFFAOYSA-N 1 2 295.346 1.970 20 30 CDEDLO C[N@H+](Cc1nnc2ccccn21)[C@H]1CC[C@@H](C#N)C1 ZINC000590161279 342523754 /nfs/dbraw/zinc/52/37/54/342523754.db2.gz SNDCPPSYRDBCBM-NEPJUHHUSA-N 1 2 255.325 1.853 20 30 CDEDLO C[N@@H+](Cc1nnc2ccccn21)[C@H]1CC[C@@H](C#N)C1 ZINC000590161279 342523755 /nfs/dbraw/zinc/52/37/55/342523755.db2.gz SNDCPPSYRDBCBM-NEPJUHHUSA-N 1 2 255.325 1.853 20 30 CDEDLO C[C@@H](NC(=O)NCc1c[nH+]cn1C)c1ccc(C#N)cc1 ZINC000290492313 342534313 /nfs/dbraw/zinc/53/43/13/342534313.db2.gz RQOHZKPVVFKMCH-LLVKDONJSA-N 1 2 283.335 1.852 20 30 CDEDLO COc1cc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)ccc1C#N ZINC000235000824 342048133 /nfs/dbraw/zinc/04/81/33/342048133.db2.gz HKDHLMBXKPYQQF-CQSZACIVSA-N 1 2 285.347 1.373 20 30 CDEDLO COc1cc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)ccc1C#N ZINC000235000824 342048134 /nfs/dbraw/zinc/04/81/34/342048134.db2.gz HKDHLMBXKPYQQF-CQSZACIVSA-N 1 2 285.347 1.373 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1ccc(C)cn1 ZINC000590754872 342587940 /nfs/dbraw/zinc/58/79/40/342587940.db2.gz QZCVNSIRONTXLU-AWEZNQCLSA-N 1 2 288.395 1.830 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccc(C)cn1 ZINC000590754872 342587941 /nfs/dbraw/zinc/58/79/41/342587941.db2.gz QZCVNSIRONTXLU-AWEZNQCLSA-N 1 2 288.395 1.830 20 30 CDEDLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N)nc1 ZINC000590754403 342587952 /nfs/dbraw/zinc/58/79/52/342587952.db2.gz FKCHPMWLCRPFBF-ZDUSSCGKSA-N 1 2 274.368 1.582 20 30 CDEDLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N)nc1 ZINC000590754403 342587953 /nfs/dbraw/zinc/58/79/53/342587953.db2.gz FKCHPMWLCRPFBF-ZDUSSCGKSA-N 1 2 274.368 1.582 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCCc2ccccc21 ZINC000609030881 342087661 /nfs/dbraw/zinc/08/76/61/342087661.db2.gz QWWMUGNEKWHXOV-GFCCVEGCSA-N 1 2 257.337 1.858 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618812716 349534795 /nfs/dbraw/zinc/53/47/95/349534795.db2.gz HATXNJYQPVDRMU-AWEZNQCLSA-N 1 2 295.346 1.778 20 30 CDEDLO C=CCCCS(=O)(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641592913 365625932 /nfs/dbraw/zinc/62/59/32/365625932.db2.gz LCKSLXDUDNEIAV-UHFFFAOYSA-N 1 2 260.403 1.308 20 30 CDEDLO C=CCCCS(=O)(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641592913 365625934 /nfs/dbraw/zinc/62/59/34/365625934.db2.gz LCKSLXDUDNEIAV-UHFFFAOYSA-N 1 2 260.403 1.308 20 30 CDEDLO N#Cc1ccc(CNC(=O)CCCn2cc[nH+]c2)cc1F ZINC000590885905 342605806 /nfs/dbraw/zinc/60/58/06/342605806.db2.gz AKJDBVKTFDOYJJ-UHFFFAOYSA-N 1 2 286.310 1.990 20 30 CDEDLO CCc1ccc(C[NH+]2CCN(CCC#N)CC2)nc1 ZINC000591020584 342614213 /nfs/dbraw/zinc/61/42/13/342614213.db2.gz PTLJATRPSRASLV-UHFFFAOYSA-N 1 2 258.369 1.675 20 30 CDEDLO C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147118 342673927 /nfs/dbraw/zinc/67/39/27/342673927.db2.gz IOPMFKZCMNXJED-BBRMVZONSA-N 1 2 287.363 1.388 20 30 CDEDLO C[C@@H](C(=O)N(C)c1ccccc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147118 342673928 /nfs/dbraw/zinc/67/39/28/342673928.db2.gz IOPMFKZCMNXJED-BBRMVZONSA-N 1 2 287.363 1.388 20 30 CDEDLO Cn1c2cc(F)ccc2[nH+]c1N1CC[C@@](O)(CC#N)C1 ZINC000591972415 342660795 /nfs/dbraw/zinc/66/07/95/342660795.db2.gz CRSNGCYKQVROLL-AWEZNQCLSA-N 1 2 274.299 1.567 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000592148327 342668365 /nfs/dbraw/zinc/66/83/65/342668365.db2.gz UEBUJHGJNVAMLV-ZDUSSCGKSA-N 1 2 290.348 1.649 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000592148327 342668366 /nfs/dbraw/zinc/66/83/66/342668366.db2.gz UEBUJHGJNVAMLV-ZDUSSCGKSA-N 1 2 290.348 1.649 20 30 CDEDLO CN(CC1CCCCC1)C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151456 342669169 /nfs/dbraw/zinc/66/91/69/342669169.db2.gz PCEFWEAMHOEPOC-MRXNPFEDSA-N 1 2 293.411 1.376 20 30 CDEDLO CN(CC1CCCCC1)C(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592151456 342669170 /nfs/dbraw/zinc/66/91/70/342669170.db2.gz PCEFWEAMHOEPOC-MRXNPFEDSA-N 1 2 293.411 1.376 20 30 CDEDLO C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152159 342669178 /nfs/dbraw/zinc/66/91/78/342669178.db2.gz VFFHWPLQUBHFLE-CJNGLKHVSA-N 1 2 297.362 1.679 20 30 CDEDLO C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152159 342669179 /nfs/dbraw/zinc/66/91/79/342669179.db2.gz VFFHWPLQUBHFLE-CJNGLKHVSA-N 1 2 297.362 1.679 20 30 CDEDLO Cc1ccccc1-n1cc(C[N@@H+]2CC[C@](O)(CC#N)C2)nn1 ZINC000592523419 342702568 /nfs/dbraw/zinc/70/25/68/342702568.db2.gz ZYAREQDCJNICKI-MRXNPFEDSA-N 1 2 297.362 1.426 20 30 CDEDLO Cc1ccccc1-n1cc(C[N@H+]2CC[C@](O)(CC#N)C2)nn1 ZINC000592523419 342702569 /nfs/dbraw/zinc/70/25/69/342702569.db2.gz ZYAREQDCJNICKI-MRXNPFEDSA-N 1 2 297.362 1.426 20 30 CDEDLO CC(C)Cn1nccc1C[NH+]1CCN(CC#N)CC1 ZINC000592498966 342705361 /nfs/dbraw/zinc/70/53/61/342705361.db2.gz LRYDAYAHCUEERW-UHFFFAOYSA-N 1 2 261.373 1.180 20 30 CDEDLO N#Cc1cccc(CNc2ccc(N3CCOCC3)c[nH+]2)n1 ZINC000602520965 342175625 /nfs/dbraw/zinc/17/56/25/342175625.db2.gz LDXCHWQMAXKEJY-UHFFFAOYSA-N 1 2 295.346 1.219 20 30 CDEDLO Cc1noc(C(F)F)c1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593154449 342774123 /nfs/dbraw/zinc/77/41/23/342774123.db2.gz RTCVZZJVILFJJT-LBPRGKRZSA-N 1 2 286.282 1.494 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CCCC1(C)C ZINC000593155002 342774437 /nfs/dbraw/zinc/77/44/37/342774437.db2.gz XQGKNSYZWGCEQW-FZMZJTMJSA-N 1 2 251.374 1.773 20 30 CDEDLO COc1cc(OC)c(C[NH+]2CCN(CC#N)CC2)cc1F ZINC000593573298 342813763 /nfs/dbraw/zinc/81/37/63/342813763.db2.gz PZDCQBOUZLXFDB-UHFFFAOYSA-N 1 2 293.342 1.484 20 30 CDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2c[nH]nc2C1 ZINC000599339656 344013287 /nfs/dbraw/zinc/01/32/87/344013287.db2.gz HWHRZAPMDUPBLK-AWEZNQCLSA-N 1 2 298.346 1.079 20 30 CDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCc2c[nH]nc2C1 ZINC000599339656 344013288 /nfs/dbraw/zinc/01/32/88/344013288.db2.gz HWHRZAPMDUPBLK-AWEZNQCLSA-N 1 2 298.346 1.079 20 30 CDEDLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000331808539 529533382 /nfs/dbraw/zinc/53/33/82/529533382.db2.gz GFOWTTYFAJNAIK-LSDHHAIUSA-N 1 2 279.384 1.296 20 30 CDEDLO CC[C@@]1(C)COCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000331808539 529533385 /nfs/dbraw/zinc/53/33/85/529533385.db2.gz GFOWTTYFAJNAIK-LSDHHAIUSA-N 1 2 279.384 1.296 20 30 CDEDLO CC[C@H](NC(=O)c1cn([C@H]2CCOC2)nn1)c1[nH]cc[nH+]1 ZINC000330108654 529581589 /nfs/dbraw/zinc/58/15/89/529581589.db2.gz NXOKUANDIUTWKY-UWVGGRQHSA-N 1 2 290.327 1.419 20 30 CDEDLO C[N@H+](CCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000074997033 342308525 /nfs/dbraw/zinc/30/85/25/342308525.db2.gz ZGXUIHOGHNEVBH-LLVKDONJSA-N 1 2 253.346 1.841 20 30 CDEDLO C[N@@H+](CCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000074997033 342308526 /nfs/dbraw/zinc/30/85/26/342308526.db2.gz ZGXUIHOGHNEVBH-LLVKDONJSA-N 1 2 253.346 1.841 20 30 CDEDLO N#Cc1ccc(CC[N@H+]2CCSC[C@H]2C(N)=O)cc1 ZINC000595404483 343049147 /nfs/dbraw/zinc/04/91/47/343049147.db2.gz LYFYWLLOHMTRKI-ZDUSSCGKSA-N 1 2 275.377 1.003 20 30 CDEDLO N#Cc1ccc(CC[N@@H+]2CCSC[C@H]2C(N)=O)cc1 ZINC000595404483 343049148 /nfs/dbraw/zinc/04/91/48/343049148.db2.gz LYFYWLLOHMTRKI-ZDUSSCGKSA-N 1 2 275.377 1.003 20 30 CDEDLO CNS(=O)(=O)c1ccc(C[N@H+](C)[C@H](C)CC#N)cc1 ZINC000595344293 343043536 /nfs/dbraw/zinc/04/35/36/343043536.db2.gz LLQBOSBZPYAIDJ-LLVKDONJSA-N 1 2 281.381 1.329 20 30 CDEDLO CNS(=O)(=O)c1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1 ZINC000595344293 343043539 /nfs/dbraw/zinc/04/35/39/343043539.db2.gz LLQBOSBZPYAIDJ-LLVKDONJSA-N 1 2 281.381 1.329 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)CCc1nnn(C(C)(C)C)n1 ZINC000595343353 343043786 /nfs/dbraw/zinc/04/37/86/343043786.db2.gz HBZKDRUWOCCVEB-JTQLQIEISA-N 1 2 250.350 1.205 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)CCc1nnn(C(C)(C)C)n1 ZINC000595343353 343043787 /nfs/dbraw/zinc/04/37/87/343043787.db2.gz HBZKDRUWOCCVEB-JTQLQIEISA-N 1 2 250.350 1.205 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595547444 343084198 /nfs/dbraw/zinc/08/41/98/343084198.db2.gz OYXBIKPFNUNEJO-UHFFFAOYSA-N 1 2 274.280 1.287 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595547444 343084200 /nfs/dbraw/zinc/08/42/00/343084200.db2.gz OYXBIKPFNUNEJO-UHFFFAOYSA-N 1 2 274.280 1.287 20 30 CDEDLO C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595617135 343110682 /nfs/dbraw/zinc/11/06/82/343110682.db2.gz VCIFWOPQYNWUDL-NWDGAFQWSA-N 1 2 273.340 1.429 20 30 CDEDLO C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595617135 343110684 /nfs/dbraw/zinc/11/06/84/343110684.db2.gz VCIFWOPQYNWUDL-NWDGAFQWSA-N 1 2 273.340 1.429 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](Cc2nnnn2-c2ccccc2)C1 ZINC000595609684 343108324 /nfs/dbraw/zinc/10/83/24/343108324.db2.gz NVYIIOJVEOJSOG-ZDUSSCGKSA-N 1 2 282.351 1.788 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nnnn2-c2ccccc2)C1 ZINC000595609684 343108325 /nfs/dbraw/zinc/10/83/25/343108325.db2.gz NVYIIOJVEOJSOG-ZDUSSCGKSA-N 1 2 282.351 1.788 20 30 CDEDLO C=CCOCC[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000645089897 362102101 /nfs/dbraw/zinc/10/21/01/362102101.db2.gz YBTFGGRWNXAUED-NXEZZACHSA-N 1 2 253.264 1.841 20 30 CDEDLO C=CCOCC[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000645089897 362102107 /nfs/dbraw/zinc/10/21/07/362102107.db2.gz YBTFGGRWNXAUED-NXEZZACHSA-N 1 2 253.264 1.841 20 30 CDEDLO N#CCSc1cccc(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000079895230 342348317 /nfs/dbraw/zinc/34/83/17/342348317.db2.gz SJNSZCPVOKHMIZ-UHFFFAOYSA-N 1 2 272.333 1.955 20 30 CDEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000081040134 342363565 /nfs/dbraw/zinc/36/35/65/342363565.db2.gz UGGVNVWTWQTAIO-CYBMUJFWSA-N 1 2 276.384 1.953 20 30 CDEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000081040134 342363566 /nfs/dbraw/zinc/36/35/66/342363566.db2.gz UGGVNVWTWQTAIO-CYBMUJFWSA-N 1 2 276.384 1.953 20 30 CDEDLO CCc1nc(C#N)cc(NCCCNc2cccc[nH+]2)n1 ZINC000596080277 343219550 /nfs/dbraw/zinc/21/95/50/343219550.db2.gz FHDAFKIRGRRKME-UHFFFAOYSA-N 1 2 282.351 1.642 20 30 CDEDLO C[C@H]1C[N@H+](CCNc2nc(C#N)c(Cl)s2)CCO1 ZINC000596102801 343227858 /nfs/dbraw/zinc/22/78/58/343227858.db2.gz YRBKYALDAJHGEE-QMMMGPOBSA-N 1 2 286.788 1.223 20 30 CDEDLO C[C@H]1C[N@@H+](CCNc2nc(C#N)c(Cl)s2)CCO1 ZINC000596102801 343227859 /nfs/dbraw/zinc/22/78/59/343227859.db2.gz YRBKYALDAJHGEE-QMMMGPOBSA-N 1 2 286.788 1.223 20 30 CDEDLO COC1CC[NH+](Cc2cn(CC3(CC#N)CC3)nn2)CC1 ZINC000600969731 342369834 /nfs/dbraw/zinc/36/98/34/342369834.db2.gz AFWSOMNVUZFXGM-UHFFFAOYSA-N 1 2 289.383 1.583 20 30 CDEDLO CC(C)(C)n1ncc2c1nc(NCCCCC#N)[nH+]c2N ZINC000596108248 343229510 /nfs/dbraw/zinc/22/95/10/343229510.db2.gz RLCUMVGQZGKRPM-UHFFFAOYSA-N 1 2 287.371 1.691 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cccc(C#N)c2)nn1 ZINC000600972369 342385296 /nfs/dbraw/zinc/38/52/96/342385296.db2.gz HTLLIBZALUKKNL-UHFFFAOYSA-N 1 2 265.320 1.311 20 30 CDEDLO Cn1ncc(C#N)c1NCc1ccc[nH+]c1N1CCCC1 ZINC000596357428 343309919 /nfs/dbraw/zinc/30/99/19/343309919.db2.gz QNCPJLREHZNSTH-UHFFFAOYSA-N 1 2 282.351 1.899 20 30 CDEDLO C=C[C@](C)(O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000596657554 343364693 /nfs/dbraw/zinc/36/46/93/343364693.db2.gz SAJGVGDPSYWYQM-KRWDZBQOSA-N 1 2 299.374 1.139 20 30 CDEDLO CC(C)[N@H+](Cc1n[nH]c(=O)[nH]1)Cc1ccc(C#N)cc1 ZINC000091550821 342405432 /nfs/dbraw/zinc/40/54/32/342405432.db2.gz CSGFSJQAPLWHII-UHFFFAOYSA-N 1 2 271.324 1.793 20 30 CDEDLO CC(C)[N@@H+](Cc1n[nH]c(=O)[nH]1)Cc1ccc(C#N)cc1 ZINC000091550821 342405433 /nfs/dbraw/zinc/40/54/33/342405433.db2.gz CSGFSJQAPLWHII-UHFFFAOYSA-N 1 2 271.324 1.793 20 30 CDEDLO N#CC1(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000444725219 362200673 /nfs/dbraw/zinc/20/06/73/362200673.db2.gz MQGTZDIYNDPZDB-NXEZZACHSA-N 1 2 262.275 1.925 20 30 CDEDLO N#CC1(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000444725219 362200675 /nfs/dbraw/zinc/20/06/75/362200675.db2.gz MQGTZDIYNDPZDB-NXEZZACHSA-N 1 2 262.275 1.925 20 30 CDEDLO Cc1ccc(C#N)c(N2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000127626334 136386766 /nfs/dbraw/zinc/38/67/66/136386766.db2.gz KODJQHLRQHGDGI-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO CC[C@@H](C#N)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597940893 343673725 /nfs/dbraw/zinc/67/37/25/343673725.db2.gz MKDYQJYUSVMYDR-LBPRGKRZSA-N 1 2 272.352 1.848 20 30 CDEDLO C[NH+]1CCN(CCCCNc2cccc(C#N)n2)CC1 ZINC000535887358 282293844 /nfs/dbraw/zinc/29/38/44/282293844.db2.gz GSQMNXXZDLPLMP-UHFFFAOYSA-N 1 2 273.384 1.393 20 30 CDEDLO CC1CC(C#N)(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000597995423 343684517 /nfs/dbraw/zinc/68/45/17/343684517.db2.gz GBRFCEIRNKXYJK-SBEAFCBVSA-N 1 2 279.384 1.152 20 30 CDEDLO CC1CC(C#N)(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000597995423 343684521 /nfs/dbraw/zinc/68/45/21/343684521.db2.gz GBRFCEIRNKXYJK-SBEAFCBVSA-N 1 2 279.384 1.152 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000619721368 349871054 /nfs/dbraw/zinc/87/10/54/349871054.db2.gz HNZIDMWXXFRBJU-QWHCGFSZSA-N 1 2 283.368 1.768 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000619721368 349871056 /nfs/dbraw/zinc/87/10/56/349871056.db2.gz HNZIDMWXXFRBJU-QWHCGFSZSA-N 1 2 283.368 1.768 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000619721892 349872011 /nfs/dbraw/zinc/87/20/11/349872011.db2.gz YFEREBWVDXXORV-CHWSQXEVSA-N 1 2 253.342 1.605 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000619721892 349872014 /nfs/dbraw/zinc/87/20/14/349872014.db2.gz YFEREBWVDXXORV-CHWSQXEVSA-N 1 2 253.342 1.605 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000619722173 349872157 /nfs/dbraw/zinc/87/21/57/349872157.db2.gz QTPUGGNYOWCEAJ-QWHCGFSZSA-N 1 2 253.342 1.605 20 30 CDEDLO CCC[C@](C)([NH2+]C[C@@H](O)CC(C)(C)C#N)C(=O)OC ZINC000598591843 343838271 /nfs/dbraw/zinc/83/82/71/343838271.db2.gz CYCVADRQZULXJS-FZMZJTMJSA-N 1 2 270.373 1.609 20 30 CDEDLO C=C[C@](C)(O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000612067666 347000822 /nfs/dbraw/zinc/00/08/22/347000822.db2.gz ILHUVDVIICEPBB-KRWDZBQOSA-N 1 2 299.374 1.679 20 30 CDEDLO CCn1ncc(Cl)c1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000598837630 343915244 /nfs/dbraw/zinc/91/52/44/343915244.db2.gz XMHICCXBIFZZJC-LBPRGKRZSA-N 1 2 283.763 1.130 20 30 CDEDLO N#Cc1ccc(C(=O)NCCCNc2cccc[nH+]2)nc1 ZINC000136156441 362306051 /nfs/dbraw/zinc/30/60/51/362306051.db2.gz FGZJEEXQXRQCMY-UHFFFAOYSA-N 1 2 281.319 1.580 20 30 CDEDLO C[N@H+](CC1(C#N)CC1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000331921498 362346820 /nfs/dbraw/zinc/34/68/20/362346820.db2.gz FMGSNSAHQPHLFM-NWDGAFQWSA-N 1 2 270.398 1.578 20 30 CDEDLO C[N@@H+](CC1(C#N)CC1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000331921498 362346826 /nfs/dbraw/zinc/34/68/26/362346826.db2.gz FMGSNSAHQPHLFM-NWDGAFQWSA-N 1 2 270.398 1.578 20 30 CDEDLO N#CCCn1ccc(=NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)[nH]1 ZINC000602103711 344335535 /nfs/dbraw/zinc/33/55/35/344335535.db2.gz XADMEATVSPIZDO-CYBMUJFWSA-N 1 2 287.367 1.174 20 30 CDEDLO N#CCCn1ccc(=NC(=O)[C@H]2CC[N@H+]2C2CCCC2)[nH]1 ZINC000602103711 344335536 /nfs/dbraw/zinc/33/55/36/344335536.db2.gz XADMEATVSPIZDO-CYBMUJFWSA-N 1 2 287.367 1.174 20 30 CDEDLO C[C@H](CC#N)N(C)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000602092068 344343703 /nfs/dbraw/zinc/34/37/03/344343703.db2.gz CPWIKCSKPGHLMN-LLVKDONJSA-N 1 2 284.319 1.952 20 30 CDEDLO Cc1cc(C)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)s1 ZINC000602332050 344402248 /nfs/dbraw/zinc/40/22/48/344402248.db2.gz JONFYBARUXMVPH-CYBMUJFWSA-N 1 2 265.382 1.939 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2cc(C#N)cs2)C[C@@H](C)O1 ZINC000249189469 362425919 /nfs/dbraw/zinc/42/59/19/362425919.db2.gz OYDZYFILTUHFED-PWSUYJOCSA-N 1 2 266.366 1.855 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)C[C@@H](C)O1 ZINC000249189469 362425925 /nfs/dbraw/zinc/42/59/25/362425925.db2.gz OYDZYFILTUHFED-PWSUYJOCSA-N 1 2 266.366 1.855 20 30 CDEDLO CCOc1cccc(CNC(=O)C[NH2+][C@H](C)CC#N)c1 ZINC000602864146 344637911 /nfs/dbraw/zinc/63/79/11/344637911.db2.gz QYKWAAYRFJEZQP-GFCCVEGCSA-N 1 2 275.352 1.593 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000602870415 344641275 /nfs/dbraw/zinc/64/12/75/344641275.db2.gz SZVRDHPOVRMOIJ-GWCFXTLKSA-N 1 2 288.307 1.592 20 30 CDEDLO CCCNC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609486229 344915811 /nfs/dbraw/zinc/91/58/11/344915811.db2.gz GICKQPHOGRDKDC-KGLIPLIRSA-N 1 2 280.416 1.067 20 30 CDEDLO CCC(C#N)(CC)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000382540425 345202871 /nfs/dbraw/zinc/20/28/71/345202871.db2.gz DDSXCVXEFOYFJJ-CQSZACIVSA-N 1 2 293.411 1.640 20 30 CDEDLO CC(C)[C@@H](C#N)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000609539310 345595929 /nfs/dbraw/zinc/59/59/29/345595929.db2.gz XIKNDVCFILAGAP-CYBMUJFWSA-N 1 2 261.373 1.086 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617725160 345930619 /nfs/dbraw/zinc/93/06/19/345930619.db2.gz IEECCIHEYWOGAQ-SQWLQELKSA-N 1 2 298.427 1.441 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617725160 345930621 /nfs/dbraw/zinc/93/06/21/345930621.db2.gz IEECCIHEYWOGAQ-SQWLQELKSA-N 1 2 298.427 1.441 20 30 CDEDLO COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)CC#N)C2=O)cc1 ZINC000609678321 345989408 /nfs/dbraw/zinc/98/94/08/345989408.db2.gz XMPUSQQDCSAONH-WFASDCNBSA-N 1 2 287.363 1.688 20 30 CDEDLO Cc1cccn2cc(CN3CCOC[C@@H]3C#N)[nH+]c12 ZINC000610682093 346356846 /nfs/dbraw/zinc/35/68/46/346356846.db2.gz CVUQRLGEVZGVMO-ZDUSSCGKSA-N 1 2 256.309 1.367 20 30 CDEDLO N#CCCN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000611174642 346627942 /nfs/dbraw/zinc/62/79/42/346627942.db2.gz NSIIFTLPNAUSCD-UHFFFAOYSA-N 1 2 274.324 1.626 20 30 CDEDLO N#CCC[N@@H+](CC[C@@H]1CCS(=O)(=O)C1)CC1CC1 ZINC000611171324 346629427 /nfs/dbraw/zinc/62/94/27/346629427.db2.gz XCDZLRXLQPBQCF-CYBMUJFWSA-N 1 2 270.398 1.437 20 30 CDEDLO N#CCC[N@H+](CC[C@@H]1CCS(=O)(=O)C1)CC1CC1 ZINC000611171324 346629428 /nfs/dbraw/zinc/62/94/28/346629428.db2.gz XCDZLRXLQPBQCF-CYBMUJFWSA-N 1 2 270.398 1.437 20 30 CDEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cnc3cnccn23)C1 ZINC000612405623 347148842 /nfs/dbraw/zinc/14/88/42/347148842.db2.gz BLSMROWSPXWXRS-AWEZNQCLSA-N 1 2 255.325 1.855 20 30 CDEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000612405623 347148846 /nfs/dbraw/zinc/14/88/46/347148846.db2.gz BLSMROWSPXWXRS-AWEZNQCLSA-N 1 2 255.325 1.855 20 30 CDEDLO CC[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)C[C@H](C)C#N ZINC000064249126 347469756 /nfs/dbraw/zinc/46/97/56/347469756.db2.gz SJWUSUWHKHQBNB-RBSFLKMASA-N 1 2 293.411 1.638 20 30 CDEDLO CC[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)C[C@H](C)C#N ZINC000064249126 347469759 /nfs/dbraw/zinc/46/97/59/347469759.db2.gz SJWUSUWHKHQBNB-RBSFLKMASA-N 1 2 293.411 1.638 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N[C@H]1CCOc2ccccc21 ZINC000619704902 348000395 /nfs/dbraw/zinc/00/03/95/348000395.db2.gz WHISNPKANVLQEV-YPMHNXCESA-N 1 2 273.336 1.518 20 30 CDEDLO C=C[C@@H](O)C(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000614360254 348088649 /nfs/dbraw/zinc/08/86/49/348088649.db2.gz IUERFIWSYYSDQM-NWDGAFQWSA-N 1 2 263.341 1.504 20 30 CDEDLO C=C[C@@H](C(=O)OC)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000619718721 348188002 /nfs/dbraw/zinc/18/80/02/348188002.db2.gz YKNKHSYFDWICJT-ZFWWWQNUSA-N 1 2 289.379 1.488 20 30 CDEDLO COc1cc(OC[C@@H](O)C[N@H+](C)CCC#N)ccc1C#N ZINC000414124282 362921759 /nfs/dbraw/zinc/92/17/59/362921759.db2.gz KPVXMGWCTVWPHX-ZDUSSCGKSA-N 1 2 289.335 1.152 20 30 CDEDLO COc1cc(OC[C@@H](O)C[N@@H+](C)CCC#N)ccc1C#N ZINC000414124282 362921760 /nfs/dbraw/zinc/92/17/60/362921760.db2.gz KPVXMGWCTVWPHX-ZDUSSCGKSA-N 1 2 289.335 1.152 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc2c(c1)OCCO2 ZINC000414145193 362922614 /nfs/dbraw/zinc/92/26/14/362922614.db2.gz PCUGFPPAOUBQAT-GFCCVEGCSA-N 1 2 292.335 1.043 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc2c(c1)OCCO2 ZINC000414145193 362922622 /nfs/dbraw/zinc/92/26/22/362922622.db2.gz PCUGFPPAOUBQAT-GFCCVEGCSA-N 1 2 292.335 1.043 20 30 CDEDLO CCOC(=O)c1cnn(Cc2cc(OC)cc[nH+]2)c1C#N ZINC000273450465 192156297 /nfs/dbraw/zinc/15/62/97/192156297.db2.gz FUPXONFQSZFOLU-UHFFFAOYSA-N 1 2 286.291 1.383 20 30 CDEDLO Cc1cccc(OC[C@H](O)C[N@H+](C)CCC#N)c1C ZINC000414164015 362929618 /nfs/dbraw/zinc/92/96/18/362929618.db2.gz NWEHCRPDNMVSIR-CQSZACIVSA-N 1 2 262.353 1.889 20 30 CDEDLO Cc1cccc(OC[C@H](O)C[N@@H+](C)CCC#N)c1C ZINC000414164015 362929623 /nfs/dbraw/zinc/92/96/23/362929623.db2.gz NWEHCRPDNMVSIR-CQSZACIVSA-N 1 2 262.353 1.889 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCc3ncsc3C2)n1 ZINC000602627508 350133137 /nfs/dbraw/zinc/13/31/37/350133137.db2.gz FJPNLCBVUTZZAQ-UHFFFAOYSA-N 1 2 256.334 1.968 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCc3ncsc3C2)n1 ZINC000602627508 350133140 /nfs/dbraw/zinc/13/31/40/350133140.db2.gz FJPNLCBVUTZZAQ-UHFFFAOYSA-N 1 2 256.334 1.968 20 30 CDEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)n2)C[C@]2(CCCOC2)O1 ZINC000602643710 350136113 /nfs/dbraw/zinc/13/61/13/350136113.db2.gz SCGQVTIVOSIISA-BBRMVZONSA-N 1 2 287.363 1.723 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)n2)C[C@]2(CCCOC2)O1 ZINC000602643710 350136116 /nfs/dbraw/zinc/13/61/16/350136116.db2.gz SCGQVTIVOSIISA-BBRMVZONSA-N 1 2 287.363 1.723 20 30 CDEDLO CO[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000602897681 350161134 /nfs/dbraw/zinc/16/11/34/350161134.db2.gz NYFAJUGCMOTXQU-AWEZNQCLSA-N 1 2 262.309 1.242 20 30 CDEDLO CO[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000602897681 350161137 /nfs/dbraw/zinc/16/11/37/350161137.db2.gz NYFAJUGCMOTXQU-AWEZNQCLSA-N 1 2 262.309 1.242 20 30 CDEDLO N#Cc1ccncc1N1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000603389518 350270437 /nfs/dbraw/zinc/27/04/37/350270437.db2.gz XTJHFBASPVSLIE-UHFFFAOYSA-N 1 2 295.346 1.167 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000110489812 186299569 /nfs/dbraw/zinc/29/95/69/186299569.db2.gz KAVPZXMNTXAYDX-LBPRGKRZSA-N 1 2 276.296 1.209 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000110489812 186299570 /nfs/dbraw/zinc/29/95/70/186299570.db2.gz KAVPZXMNTXAYDX-LBPRGKRZSA-N 1 2 276.296 1.209 20 30 CDEDLO C=CCNc1ncc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000621992812 350922233 /nfs/dbraw/zinc/92/22/33/350922233.db2.gz KHJYUIFEFWFODI-UHFFFAOYSA-N 1 2 294.424 1.329 20 30 CDEDLO C=CCNc1ncc(C(=O)N2CC[N@H+](C)C(C)(C)C2)s1 ZINC000621992812 350922237 /nfs/dbraw/zinc/92/22/37/350922237.db2.gz KHJYUIFEFWFODI-UHFFFAOYSA-N 1 2 294.424 1.329 20 30 CDEDLO COC[C@@H]1CCC[N@@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000154490481 351298546 /nfs/dbraw/zinc/29/85/46/351298546.db2.gz ODLZKJUEKCNOBJ-LBPRGKRZSA-N 1 2 291.351 1.817 20 30 CDEDLO COC[C@@H]1CCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000154490481 351298547 /nfs/dbraw/zinc/29/85/47/351298547.db2.gz ODLZKJUEKCNOBJ-LBPRGKRZSA-N 1 2 291.351 1.817 20 30 CDEDLO C=CCNC(=O)C[NH+]1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000292136666 198177446 /nfs/dbraw/zinc/17/74/46/198177446.db2.gz IYEDHBPMUYKIIR-STQMWFEESA-N 1 2 295.427 1.256 20 30 CDEDLO C#Cc1cccc(NC2CC[NH+](CC(=O)OC)CC2)c1 ZINC000137525757 187899427 /nfs/dbraw/zinc/89/94/27/187899427.db2.gz KQRZMJGOXDXILY-UHFFFAOYSA-N 1 2 272.348 1.717 20 30 CDEDLO C=C[C@@H](CO)NC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000292407471 198278036 /nfs/dbraw/zinc/27/80/36/198278036.db2.gz MDBCNHONLXBZLA-LBPRGKRZSA-N 1 2 288.351 1.191 20 30 CDEDLO C=C(C)CN(CC)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000154621034 188154193 /nfs/dbraw/zinc/15/41/93/188154193.db2.gz CTLAENSYEOTHIR-UHFFFAOYSA-N 1 2 277.324 1.453 20 30 CDEDLO C#CCCOc1ccc(C[N@H+](C)CCS(C)(=O)=O)cc1 ZINC000155176866 188188651 /nfs/dbraw/zinc/18/86/51/188188651.db2.gz RZBGJXVBJHMYQM-UHFFFAOYSA-N 1 2 295.404 1.565 20 30 CDEDLO C#CCCOc1ccc(C[N@@H+](C)CCS(C)(=O)=O)cc1 ZINC000155176866 188188652 /nfs/dbraw/zinc/18/86/52/188188652.db2.gz RZBGJXVBJHMYQM-UHFFFAOYSA-N 1 2 295.404 1.565 20 30 CDEDLO COC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000157955586 188348782 /nfs/dbraw/zinc/34/87/82/188348782.db2.gz RXUROHIMEGIPKJ-CYBMUJFWSA-N 1 2 287.363 1.632 20 30 CDEDLO COC(=O)[C@@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000157955586 188348784 /nfs/dbraw/zinc/34/87/84/188348784.db2.gz RXUROHIMEGIPKJ-CYBMUJFWSA-N 1 2 287.363 1.632 20 30 CDEDLO N#CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CC1 ZINC000090551547 358480625 /nfs/dbraw/zinc/48/06/25/358480625.db2.gz WZDQZQQNWCRNCJ-UHFFFAOYSA-N 1 2 290.323 1.382 20 30 CDEDLO N#CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CC1 ZINC000090551547 358480627 /nfs/dbraw/zinc/48/06/27/358480627.db2.gz WZDQZQQNWCRNCJ-UHFFFAOYSA-N 1 2 290.323 1.382 20 30 CDEDLO C=CCOCC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000355572558 366117659 /nfs/dbraw/zinc/11/76/59/366117659.db2.gz KPLMEQLYYRHCFM-UHFFFAOYSA-N 1 2 271.320 1.691 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)NCc1cccc(C#N)c1 ZINC000271733278 191296614 /nfs/dbraw/zinc/29/66/14/191296614.db2.gz STECEFJUUUOCTQ-UHFFFAOYSA-N 1 2 283.335 1.633 20 30 CDEDLO C=CCNC(=O)C[NH2+]Cc1c(OC)cc(F)cc1OC ZINC000631108770 356387896 /nfs/dbraw/zinc/38/78/96/356387896.db2.gz GYCQLIYDYHVEKT-UHFFFAOYSA-N 1 2 282.315 1.235 20 30 CDEDLO N#Cc1ccncc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000342945017 356409043 /nfs/dbraw/zinc/40/90/43/356409043.db2.gz WRWDBUSSGIESRY-UHFFFAOYSA-N 1 2 277.287 1.531 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1nnc(C)s1 ZINC000273659932 192250475 /nfs/dbraw/zinc/25/04/75/192250475.db2.gz XSICHTPIDWECJR-SNVBAGLBSA-N 1 2 282.413 1.922 20 30 CDEDLO Cc1cnn(CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000328941068 538443588 /nfs/dbraw/zinc/44/35/88/538443588.db2.gz HVRNXQQUYAEUQV-GFCCVEGCSA-N 1 2 273.340 1.607 20 30 CDEDLO Cc1cn2cc(NC(=O)[C@H]3CCC(=O)N3C)ccc2[nH+]1 ZINC000329432988 538568398 /nfs/dbraw/zinc/56/83/98/538568398.db2.gz KTLIQFBMCHEDSV-LLVKDONJSA-N 1 2 272.308 1.852 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000578594281 356751850 /nfs/dbraw/zinc/75/18/50/356751850.db2.gz MASPHBDMYMXHLV-ZDUSSCGKSA-N 1 2 258.325 1.054 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000578594281 356751854 /nfs/dbraw/zinc/75/18/54/356751854.db2.gz MASPHBDMYMXHLV-ZDUSSCGKSA-N 1 2 258.325 1.054 20 30 CDEDLO C#CC[NH+]1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000298302727 356821402 /nfs/dbraw/zinc/82/14/02/356821402.db2.gz XAJQOCXEXWTDHI-UHFFFAOYSA-N 1 2 270.258 1.251 20 30 CDEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)NCCCOC ZINC000298550472 356887011 /nfs/dbraw/zinc/88/70/11/356887011.db2.gz OBGQUELILXWAQY-HNNXBMFYSA-N 1 2 288.391 1.663 20 30 CDEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)NCCCOC ZINC000298550472 356887012 /nfs/dbraw/zinc/88/70/12/356887012.db2.gz OBGQUELILXWAQY-HNNXBMFYSA-N 1 2 288.391 1.663 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cc(C#N)c[nH]1)CCC2 ZINC000334455116 357584627 /nfs/dbraw/zinc/58/46/27/357584627.db2.gz FVPCNRFLCUQRCA-LBPRGKRZSA-N 1 2 283.335 1.699 20 30 CDEDLO N#CC1CC[NH+](CC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000142042717 358016580 /nfs/dbraw/zinc/01/65/80/358016580.db2.gz UCKLVOYWDURSBA-HNNXBMFYSA-N 1 2 299.374 1.862 20 30 CDEDLO N#C[C@@]1(F)CCN(C(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000588704512 358205027 /nfs/dbraw/zinc/20/50/27/358205027.db2.gz VWYBQBJSLDHRGT-ZDUSSCGKSA-N 1 2 289.301 1.428 20 30 CDEDLO N#C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC000493481969 366401359 /nfs/dbraw/zinc/40/13/59/366401359.db2.gz ACWJZXPSKPVBTP-GFUIURDCSA-N 1 2 270.267 1.943 20 30 CDEDLO N#CCOc1cccc(CC(=O)NCCCn2cc[nH+]c2)c1 ZINC000089598807 358421439 /nfs/dbraw/zinc/42/14/39/358421439.db2.gz NQSXJHCXHNQUAA-UHFFFAOYSA-N 1 2 298.346 1.534 20 30 CDEDLO CC[NH+]1CCN(c2ncc(C#N)cc2Cl)CC1 ZINC000263825478 359064555 /nfs/dbraw/zinc/06/45/55/359064555.db2.gz ZOYFIANESTVQEA-UHFFFAOYSA-N 1 2 250.733 1.749 20 30 CDEDLO CN(C)c1ccc(CNc2nccnc2C#N)c[nH+]1 ZINC000338737214 359158936 /nfs/dbraw/zinc/15/89/36/359158936.db2.gz ZZXWRIIYKJVSLT-UHFFFAOYSA-N 1 2 254.297 1.421 20 30 CDEDLO CC#CC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000268652133 359363545 /nfs/dbraw/zinc/36/35/45/359363545.db2.gz GSWHBADWTLLHHJ-HOTGVXAUSA-N 1 2 259.349 1.834 20 30 CDEDLO CC#CC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000268652133 359363549 /nfs/dbraw/zinc/36/35/49/359363549.db2.gz GSWHBADWTLLHHJ-HOTGVXAUSA-N 1 2 259.349 1.834 20 30 CDEDLO C#CC[N@H+](CC)CCCS(=O)(=O)c1ccccc1OC ZINC000274291208 359494948 /nfs/dbraw/zinc/49/49/48/359494948.db2.gz GSEWMGDGIYLDMC-UHFFFAOYSA-N 1 2 295.404 1.814 20 30 CDEDLO C#CC[N@@H+](CC)CCCS(=O)(=O)c1ccccc1OC ZINC000274291208 359494951 /nfs/dbraw/zinc/49/49/51/359494951.db2.gz GSEWMGDGIYLDMC-UHFFFAOYSA-N 1 2 295.404 1.814 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNc1nccc(C#N)n1)CCC2 ZINC000571630416 359597229 /nfs/dbraw/zinc/59/72/29/359597229.db2.gz PRRCCLMGMUJOOB-LLVKDONJSA-N 1 2 268.324 1.843 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(C)cn2)C1=O ZINC000337199176 360020828 /nfs/dbraw/zinc/02/08/28/360020828.db2.gz APPQPVCWSYIQFH-CQSZACIVSA-N 1 2 259.353 1.609 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C)cn2)C1=O ZINC000337199176 360020833 /nfs/dbraw/zinc/02/08/33/360020833.db2.gz APPQPVCWSYIQFH-CQSZACIVSA-N 1 2 259.353 1.609 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)C(=O)OC ZINC000348358512 360024922 /nfs/dbraw/zinc/02/49/22/360024922.db2.gz LAIQFJDLLRJJAA-AVGNSLFASA-N 1 2 253.342 1.509 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000063086425 360068106 /nfs/dbraw/zinc/06/81/06/360068106.db2.gz HXMYYNYZKJOEJQ-OCCSQVGLSA-N 1 2 273.336 1.532 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000063086425 360068111 /nfs/dbraw/zinc/06/81/11/360068111.db2.gz HXMYYNYZKJOEJQ-OCCSQVGLSA-N 1 2 273.336 1.532 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000121589859 360250254 /nfs/dbraw/zinc/25/02/54/360250254.db2.gz CZTHCUVJUDYQQG-UHFFFAOYSA-N 1 2 295.346 1.800 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000121589859 360250258 /nfs/dbraw/zinc/25/02/58/360250258.db2.gz CZTHCUVJUDYQQG-UHFFFAOYSA-N 1 2 295.346 1.800 20 30 CDEDLO C#CCNC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000060530122 360293047 /nfs/dbraw/zinc/29/30/47/360293047.db2.gz LOJZYVSOIWKSES-VMPITWQZSA-N 1 2 251.289 1.635 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)CSc1ccc(C#N)cc1 ZINC000353111548 360445667 /nfs/dbraw/zinc/44/56/67/360445667.db2.gz ZPKYBVDJSRJMJB-UHFFFAOYSA-N 1 2 286.360 1.998 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)NCC#Cc1cccc(F)c1 ZINC000338038103 360641913 /nfs/dbraw/zinc/64/19/13/360641913.db2.gz GILJXDFNESENSI-UHFFFAOYSA-N 1 2 286.310 1.410 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000408358892 360704505 /nfs/dbraw/zinc/70/45/05/360704505.db2.gz IWQHAMDOMHFQDW-WFASDCNBSA-N 1 2 281.400 1.540 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000408358892 360704509 /nfs/dbraw/zinc/70/45/09/360704509.db2.gz IWQHAMDOMHFQDW-WFASDCNBSA-N 1 2 281.400 1.540 20 30 CDEDLO CC1(C)C[N@H+](CCNC(=O)NCC2(CC#N)CC2)CCO1 ZINC000430581123 360934974 /nfs/dbraw/zinc/93/49/74/360934974.db2.gz NUUNKXREBUXGAU-UHFFFAOYSA-N 1 2 294.399 1.090 20 30 CDEDLO CC1(C)C[N@@H+](CCNC(=O)NCC2(CC#N)CC2)CCO1 ZINC000430581123 360934976 /nfs/dbraw/zinc/93/49/76/360934976.db2.gz NUUNKXREBUXGAU-UHFFFAOYSA-N 1 2 294.399 1.090 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000432225640 361125574 /nfs/dbraw/zinc/12/55/74/361125574.db2.gz GXLFSOXVCVQFFA-AWEZNQCLSA-N 1 2 295.427 1.751 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000432225640 361125577 /nfs/dbraw/zinc/12/55/77/361125577.db2.gz GXLFSOXVCVQFFA-AWEZNQCLSA-N 1 2 295.427 1.751 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427988367 361316223 /nfs/dbraw/zinc/31/62/23/361316223.db2.gz CXFKWWVVZBRVEM-VXGBXAGGSA-N 1 2 263.341 1.295 20 30 CDEDLO CCS(=O)(=O)NCCC[N@H+](CCC#N)Cc1ccco1 ZINC000133346713 361360061 /nfs/dbraw/zinc/36/00/61/361360061.db2.gz BFVMEHIDJLCRKK-UHFFFAOYSA-N 1 2 299.396 1.325 20 30 CDEDLO CCS(=O)(=O)NCCC[N@@H+](CCC#N)Cc1ccco1 ZINC000133346713 361360064 /nfs/dbraw/zinc/36/00/64/361360064.db2.gz BFVMEHIDJLCRKK-UHFFFAOYSA-N 1 2 299.396 1.325 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(C)(C)O ZINC000177078391 291275929 /nfs/dbraw/zinc/27/59/29/291275929.db2.gz UMFFXZOKGHQEEI-CYBMUJFWSA-N 1 2 276.336 1.475 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(C)(C)O ZINC000177078391 291275930 /nfs/dbraw/zinc/27/59/30/291275930.db2.gz UMFFXZOKGHQEEI-CYBMUJFWSA-N 1 2 276.336 1.475 20 30 CDEDLO CC1(C#N)CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000329348511 361485732 /nfs/dbraw/zinc/48/57/32/361485732.db2.gz SELFSDRTKWIQFZ-ZDUSSCGKSA-N 1 2 277.368 1.002 20 30 CDEDLO CC1(C#N)CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000329348511 361485735 /nfs/dbraw/zinc/48/57/35/361485735.db2.gz SELFSDRTKWIQFZ-ZDUSSCGKSA-N 1 2 277.368 1.002 20 30 CDEDLO O=C(C[N@@H+]1CCNC(=O)CC1)NCc1cccnc1 ZINC000329403527 361500319 /nfs/dbraw/zinc/50/03/19/361500319.db2.gz ZTQKUFZMUBYGDR-UHFFFAOYSA-N 1 2 262.313 1.200 20 30 CDEDLO O=C(C[N@H+]1CCNC(=O)CC1)NCc1cccnc1 ZINC000329403527 361500324 /nfs/dbraw/zinc/50/03/24/361500324.db2.gz ZTQKUFZMUBYGDR-UHFFFAOYSA-N 1 2 262.313 1.200 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](COC)c1ccc(C)o1 ZINC000184689323 189392667 /nfs/dbraw/zinc/39/26/67/189392667.db2.gz PTSGGKIPXFXWQW-NEPJUHHUSA-N 1 2 264.325 1.003 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1C(N)=O ZINC000329638647 361616704 /nfs/dbraw/zinc/61/67/04/361616704.db2.gz YZFXVZDUJMOPQT-KXUCPTDWSA-N 1 2 291.355 1.284 20 30 CDEDLO C=CC1CC[NH+](Cc2nnnn2C2CCOCC2)CC1 ZINC000520704994 361651945 /nfs/dbraw/zinc/65/19/45/361651945.db2.gz XVBARBKAXBVXTB-UHFFFAOYSA-N 1 2 277.372 1.423 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000135115538 361692502 /nfs/dbraw/zinc/69/25/02/361692502.db2.gz ABDPSIYAXUEKFA-OAHLLOKOSA-N 1 2 292.310 1.654 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000135115538 361692509 /nfs/dbraw/zinc/69/25/09/361692509.db2.gz ABDPSIYAXUEKFA-OAHLLOKOSA-N 1 2 292.310 1.654 20 30 CDEDLO C[C@H]1C[C@@H](NC(=O)CNc2ccc(C#N)cc2)c2[nH+]ccn21 ZINC000456409831 364310936 /nfs/dbraw/zinc/31/09/36/364310936.db2.gz ZWBKJPWRBDNAFC-SMDDNHRTSA-N 1 2 295.346 1.989 20 30 CDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccccc1C ZINC000171820455 365398130 /nfs/dbraw/zinc/39/81/30/365398130.db2.gz HDGDMUAJVLYQJX-UHFFFAOYSA-N 1 2 263.341 1.699 20 30 CDEDLO C#CC[N@@H+](CC1(O)CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000305237817 367051323 /nfs/dbraw/zinc/05/13/23/367051323.db2.gz ONCWLQNPZCBQLF-SLTAFYQDSA-N 1 2 299.436 1.050 20 30 CDEDLO C#CC[N@H+](CC1(O)CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000305237817 367051330 /nfs/dbraw/zinc/05/13/30/367051330.db2.gz ONCWLQNPZCBQLF-SLTAFYQDSA-N 1 2 299.436 1.050 20 30 CDEDLO C=C(C)CNc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000153540569 370859294 /nfs/dbraw/zinc/85/92/94/370859294.db2.gz ATQTWMZSXDEINK-UHFFFAOYSA-N 1 2 267.296 1.594 20 30 CDEDLO C[C@H](C(=O)N[C@@]1(C#N)CCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000358446598 367688618 /nfs/dbraw/zinc/68/86/18/367688618.db2.gz UPJJWJQVNKZIQO-CXAGYDPISA-N 1 2 299.374 1.232 20 30 CDEDLO C[C@H](C(=O)N[C@@]1(C#N)CCOC1)[N@H+]1CCc2ccccc2C1 ZINC000358446598 367688624 /nfs/dbraw/zinc/68/86/24/367688624.db2.gz UPJJWJQVNKZIQO-CXAGYDPISA-N 1 2 299.374 1.232 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000275926512 193165677 /nfs/dbraw/zinc/16/56/77/193165677.db2.gz BNBDOXXGYREYHX-FZMZJTMJSA-N 1 2 279.340 1.212 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000275926512 193165680 /nfs/dbraw/zinc/16/56/80/193165680.db2.gz BNBDOXXGYREYHX-FZMZJTMJSA-N 1 2 279.340 1.212 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@@H](COCC)C1 ZINC000528725357 367955106 /nfs/dbraw/zinc/95/51/06/367955106.db2.gz SYSGYNCFFHMYQN-CQSZACIVSA-N 1 2 284.400 1.148 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@@H](COCC)C1 ZINC000528725357 367955109 /nfs/dbraw/zinc/95/51/09/367955109.db2.gz SYSGYNCFFHMYQN-CQSZACIVSA-N 1 2 284.400 1.148 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2c(C)cccc2C)CC1 ZINC000128371256 368411101 /nfs/dbraw/zinc/41/11/01/368411101.db2.gz BVZUCPJKBBXVEB-UHFFFAOYSA-N 1 2 286.375 1.460 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cn3ccccc3n2)nn1 ZINC000630600207 369362759 /nfs/dbraw/zinc/36/27/59/369362759.db2.gz AIZLVEVYJRDMIA-UHFFFAOYSA-N 1 2 280.335 1.087 20 30 CDEDLO Cc1nn(C)c(C[NH2+]CC2(C#N)CC2)c1Br ZINC000309848195 370962131 /nfs/dbraw/zinc/96/21/31/370962131.db2.gz HSZIINZNNOFFNK-UHFFFAOYSA-N 1 2 283.173 1.884 20 30 CDEDLO COC(=O)[C@H]([NH2+]CCOc1cccc(C#N)c1)C1CC1 ZINC000276510130 193362039 /nfs/dbraw/zinc/36/20/39/193362039.db2.gz ZKCKQFPOAFWICP-CQSZACIVSA-N 1 2 274.320 1.478 20 30 CDEDLO Cn1ncc2c1nc[nH+]c2NCc1ccc(C#N)cc1 ZINC000037749683 370054856 /nfs/dbraw/zinc/05/48/56/370054856.db2.gz BWJAFQUNPNZFSR-UHFFFAOYSA-N 1 2 264.292 1.847 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000556127960 370240280 /nfs/dbraw/zinc/24/02/80/370240280.db2.gz NHOMRAPRXCLLSX-KGLIPLIRSA-N 1 2 285.347 1.850 20 30 CDEDLO C=CCOc1cccc(NC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000567702602 371109227 /nfs/dbraw/zinc/10/92/27/371109227.db2.gz BXIPPPBJFYEOTO-OAHLLOKOSA-N 1 2 289.379 1.870 20 30 CDEDLO C=CCOc1cccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000567702602 371109234 /nfs/dbraw/zinc/10/92/34/371109234.db2.gz BXIPPPBJFYEOTO-OAHLLOKOSA-N 1 2 289.379 1.870 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCO[C@H](Cn3cncn3)C2)c1 ZINC000331732153 204104933 /nfs/dbraw/zinc/10/49/33/204104933.db2.gz QMUSXEQDXJBBPP-HNNXBMFYSA-N 1 2 283.335 1.051 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCO[C@H](Cn3cncn3)C2)c1 ZINC000331732153 204104937 /nfs/dbraw/zinc/10/49/37/204104937.db2.gz QMUSXEQDXJBBPP-HNNXBMFYSA-N 1 2 283.335 1.051 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000573485839 371558746 /nfs/dbraw/zinc/55/87/46/371558746.db2.gz RKLJDHBKEMIYRR-GDBMZVCRSA-N 1 2 293.411 1.542 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000573485839 371558751 /nfs/dbraw/zinc/55/87/51/371558751.db2.gz RKLJDHBKEMIYRR-GDBMZVCRSA-N 1 2 293.411 1.542 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000179339051 372271408 /nfs/dbraw/zinc/27/14/08/372271408.db2.gz PAHCIIMMBRAHDO-LBPRGKRZSA-N 1 2 263.366 1.720 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000179339051 372271412 /nfs/dbraw/zinc/27/14/12/372271412.db2.gz PAHCIIMMBRAHDO-LBPRGKRZSA-N 1 2 263.366 1.720 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H]1CO ZINC000050114616 372363546 /nfs/dbraw/zinc/36/35/46/372363546.db2.gz FRQLAKQZKGAKGT-JTQLQIEISA-N 1 2 265.338 1.015 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H]1CO ZINC000050114616 372363551 /nfs/dbraw/zinc/36/35/51/372363551.db2.gz FRQLAKQZKGAKGT-JTQLQIEISA-N 1 2 265.338 1.015 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1C(C)(C)C1(C)C ZINC000578511659 372487334 /nfs/dbraw/zinc/48/73/34/372487334.db2.gz AJAGFVOFGOUWIQ-AWEZNQCLSA-N 1 2 251.374 1.629 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N1CCc2ccccc2C1 ZINC000174530598 372592675 /nfs/dbraw/zinc/59/26/75/372592675.db2.gz AJDYBEFQKYERCF-UHFFFAOYSA-N 1 2 266.344 1.140 20 30 CDEDLO C[C@H](C#N)CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000182409487 372599893 /nfs/dbraw/zinc/59/98/93/372599893.db2.gz KYUSIBPFTGWBDB-GFCCVEGCSA-N 1 2 287.367 1.641 20 30 CDEDLO CC(C)(CNC(=O)C#Cc1ccccc1)[NH+]1CCOCC1 ZINC000174894294 372626443 /nfs/dbraw/zinc/62/64/43/372626443.db2.gz NIXVNUIOAQNZTN-UHFFFAOYSA-N 1 2 286.375 1.265 20 30 CDEDLO C[C@@H](C#N)CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000182872961 372631012 /nfs/dbraw/zinc/63/10/12/372631012.db2.gz YDNXBDIYVBKXNH-NWDGAFQWSA-N 1 2 261.329 1.217 20 30 CDEDLO CCN1CCN(C(=O)c2ccc(C#N)o2)C[C@H]1c1[nH]cc[nH+]1 ZINC000348001560 372743078 /nfs/dbraw/zinc/74/30/78/372743078.db2.gz BRTDXSXSDGTTHB-LBPRGKRZSA-N 1 2 299.334 1.393 20 30 CDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H](CO)O1 ZINC000248847962 373061151 /nfs/dbraw/zinc/06/11/51/373061151.db2.gz NNTJUWHGHXBKGQ-GWCFXTLKSA-N 1 2 264.300 1.279 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H](CO)O1 ZINC000248847962 373061156 /nfs/dbraw/zinc/06/11/56/373061156.db2.gz NNTJUWHGHXBKGQ-GWCFXTLKSA-N 1 2 264.300 1.279 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+](C)Cc1ccnn1C ZINC000348365390 373119688 /nfs/dbraw/zinc/11/96/88/373119688.db2.gz HHFKSABVGSZZOF-UHFFFAOYSA-N 1 2 270.336 1.932 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+](C)Cc1ccnn1C ZINC000348365390 373119696 /nfs/dbraw/zinc/11/96/96/373119696.db2.gz HHFKSABVGSZZOF-UHFFFAOYSA-N 1 2 270.336 1.932 20 30 CDEDLO Cn1cc(C[N@H+](C)CC(=O)Nc2ccccc2)cc1C#N ZINC000191250274 373468963 /nfs/dbraw/zinc/46/89/63/373468963.db2.gz MOCCWJGJCCHXFL-UHFFFAOYSA-N 1 2 282.347 1.967 20 30 CDEDLO Cn1cc(C[N@@H+](C)CC(=O)Nc2ccccc2)cc1C#N ZINC000191250274 373468971 /nfs/dbraw/zinc/46/89/71/373468971.db2.gz MOCCWJGJCCHXFL-UHFFFAOYSA-N 1 2 282.347 1.967 20 30 CDEDLO N#Cc1cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccn1 ZINC000356379805 373844445 /nfs/dbraw/zinc/84/44/45/373844445.db2.gz ASWXLKZOFORWGT-OAHLLOKOSA-N 1 2 294.314 1.642 20 30 CDEDLO C=CCCC1(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000341750116 373945212 /nfs/dbraw/zinc/94/52/12/373945212.db2.gz KVDUQWHQCXWOOX-KGLIPLIRSA-N 1 2 278.396 1.664 20 30 CDEDLO C=CCCC1(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000341750116 373945213 /nfs/dbraw/zinc/94/52/13/373945213.db2.gz KVDUQWHQCXWOOX-KGLIPLIRSA-N 1 2 278.396 1.664 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)/C=C/c2ccc(C#N)cc2)C1 ZINC000299424004 373907373 /nfs/dbraw/zinc/90/73/73/373907373.db2.gz FVWMKBIMQCWPLU-LQYUOIDQSA-N 1 2 285.347 1.018 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)/C=C/c2ccc(C#N)cc2)C1 ZINC000299424004 373907378 /nfs/dbraw/zinc/90/73/78/373907378.db2.gz FVWMKBIMQCWPLU-LQYUOIDQSA-N 1 2 285.347 1.018 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)N2CCn3c[nH+]cc3C2)s1 ZINC000368012411 374151747 /nfs/dbraw/zinc/15/17/47/374151747.db2.gz RYDVPFNIYIOBFE-UHFFFAOYSA-N 1 2 294.361 1.021 20 30 CDEDLO C[C@H]1C[N@H+](CCNc2ccc(Cl)c(C#N)n2)CCO1 ZINC000520988843 374232606 /nfs/dbraw/zinc/23/26/06/374232606.db2.gz FMMWRYCJODUVBL-JTQLQIEISA-N 1 2 280.759 1.161 20 30 CDEDLO C[C@H]1C[N@@H+](CCNc2ccc(Cl)c(C#N)n2)CCO1 ZINC000520988843 374232619 /nfs/dbraw/zinc/23/26/19/374232619.db2.gz FMMWRYCJODUVBL-JTQLQIEISA-N 1 2 280.759 1.161 20 30 CDEDLO N#Cc1ccncc1N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000369082905 374346211 /nfs/dbraw/zinc/34/62/11/374346211.db2.gz GYVLXFZKLFTVTQ-CQSZACIVSA-N 1 2 283.335 1.626 20 30 CDEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCc2nc[nH]c2C1 ZINC000528507810 374449211 /nfs/dbraw/zinc/44/92/11/374449211.db2.gz XSVPWMBBRREIMC-CYBMUJFWSA-N 1 2 298.346 1.079 20 30 CDEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCc2nc[nH]c2C1 ZINC000528507810 374449220 /nfs/dbraw/zinc/44/92/20/374449220.db2.gz XSVPWMBBRREIMC-CYBMUJFWSA-N 1 2 298.346 1.079 20 30 CDEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1CC1 ZINC000081512525 374511961 /nfs/dbraw/zinc/51/19/61/374511961.db2.gz PWBZBRICKRHMKJ-UHFFFAOYSA-N 1 2 264.350 1.426 20 30 CDEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1CC1 ZINC000081512525 374511969 /nfs/dbraw/zinc/51/19/69/374511969.db2.gz PWBZBRICKRHMKJ-UHFFFAOYSA-N 1 2 264.350 1.426 20 30 CDEDLO N#Cc1c[nH]c(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000278044507 374826412 /nfs/dbraw/zinc/82/64/12/374826412.db2.gz LJHGTXHCCVHQOL-DGCLKSJQSA-N 1 2 299.334 1.862 20 30 CDEDLO N#Cc1c[nH]c(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000278044507 374826419 /nfs/dbraw/zinc/82/64/19/374826419.db2.gz LJHGTXHCCVHQOL-DGCLKSJQSA-N 1 2 299.334 1.862 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279721744 374952205 /nfs/dbraw/zinc/95/22/05/374952205.db2.gz IXIVFFWJPMDTIQ-ZIAGYGMSSA-N 1 2 288.347 1.475 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279721744 374952207 /nfs/dbraw/zinc/95/22/07/374952207.db2.gz IXIVFFWJPMDTIQ-ZIAGYGMSSA-N 1 2 288.347 1.475 20 30 CDEDLO N#Cc1cccc(NCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000125841539 375059997 /nfs/dbraw/zinc/05/99/97/375059997.db2.gz QSNQFHOWUPAWPQ-UHFFFAOYSA-N 1 2 276.296 1.211 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCc2c1cccc2C#N ZINC000564073095 375699804 /nfs/dbraw/zinc/69/98/04/375699804.db2.gz QHVFKDBOUYBFNZ-UHFFFAOYSA-N 1 2 266.304 1.722 20 30 CDEDLO Cc1ccnc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000428800425 247365802 /nfs/dbraw/zinc/36/58/02/247365802.db2.gz GGOUOUKBNQNWAJ-AWEZNQCLSA-N 1 2 295.346 1.705 20 30 CDEDLO Cc1ccnc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000428800425 247365808 /nfs/dbraw/zinc/36/58/08/247365808.db2.gz GGOUOUKBNQNWAJ-AWEZNQCLSA-N 1 2 295.346 1.705 20 30 CDEDLO C[C@@H]1CCC[C@@H]1NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000328839682 375981212 /nfs/dbraw/zinc/98/12/12/375981212.db2.gz UIRSDXFYBIHBLQ-UTUOFQBUSA-N 1 2 262.357 1.890 20 30 CDEDLO C[C@@H]1CCC[C@@H]1[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000328839682 375981217 /nfs/dbraw/zinc/98/12/17/375981217.db2.gz UIRSDXFYBIHBLQ-UTUOFQBUSA-N 1 2 262.357 1.890 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000245630958 376121944 /nfs/dbraw/zinc/12/19/44/376121944.db2.gz UHLOLPYVZBSFMZ-HOCLYGCPSA-N 1 2 288.391 1.621 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000245630958 376121945 /nfs/dbraw/zinc/12/19/45/376121945.db2.gz UHLOLPYVZBSFMZ-HOCLYGCPSA-N 1 2 288.391 1.621 20 30 CDEDLO CC(C)n1ccc(C[N@H+](C)CCNC(=O)N(C)C)n1 ZINC000330687649 376298831 /nfs/dbraw/zinc/29/88/31/376298831.db2.gz CBRVJYCTYCPEHP-UHFFFAOYSA-N 1 2 267.377 1.371 20 30 CDEDLO CC(C)n1ccc(C[N@@H+](C)CCNC(=O)N(C)C)n1 ZINC000330687649 376298835 /nfs/dbraw/zinc/29/88/35/376298835.db2.gz CBRVJYCTYCPEHP-UHFFFAOYSA-N 1 2 267.377 1.371 20 30 CDEDLO CC(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000053907155 376687535 /nfs/dbraw/zinc/68/75/35/376687535.db2.gz WCOOJFIPTYVWDK-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO CC(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000053907155 376687548 /nfs/dbraw/zinc/68/75/48/376687548.db2.gz WCOOJFIPTYVWDK-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO Cc1onc(CC(=O)NCc2cn3ccccc3[nH+]2)c1C#N ZINC000354357415 376701273 /nfs/dbraw/zinc/70/12/73/376701273.db2.gz KMNRMNXLRQEYFB-UHFFFAOYSA-N 1 2 295.302 1.361 20 30 CDEDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(C#N)s1 ZINC000435426345 248169054 /nfs/dbraw/zinc/16/90/54/248169054.db2.gz HNISNEPVBDQAEZ-NXEZZACHSA-N 1 2 299.421 1.333 20 30 CDEDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(C#N)s1 ZINC000435426345 248169056 /nfs/dbraw/zinc/16/90/56/248169056.db2.gz HNISNEPVBDQAEZ-NXEZZACHSA-N 1 2 299.421 1.333 20 30 CDEDLO CC[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)C[C@H](C)C#N ZINC000250639730 377109464 /nfs/dbraw/zinc/10/94/64/377109464.db2.gz SJWUSUWHKHQBNB-QLFBSQMISA-N 1 2 293.411 1.638 20 30 CDEDLO CC[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)C[C@H](C)C#N ZINC000250639730 377109468 /nfs/dbraw/zinc/10/94/68/377109468.db2.gz SJWUSUWHKHQBNB-QLFBSQMISA-N 1 2 293.411 1.638 20 30 CDEDLO C#CCOc1ccccc1CNC(=O)CCc1c[nH+]cn1C ZINC000280313496 377947521 /nfs/dbraw/zinc/94/75/21/377947521.db2.gz YPEPFEIUZKJPLN-UHFFFAOYSA-N 1 2 297.358 1.681 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CC=C)CC1 ZINC000282128189 378023488 /nfs/dbraw/zinc/02/34/88/378023488.db2.gz AMJUDKFAEYFSGR-UHFFFAOYSA-N 1 2 285.395 1.487 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CC=C(C(F)(F)F)CC2)C1=O ZINC000282120774 378023730 /nfs/dbraw/zinc/02/37/30/378023730.db2.gz XSXPFLFVLPBNRC-NSHDSACASA-N 1 2 274.286 1.968 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CC=C(C(F)(F)F)CC2)C1=O ZINC000282120774 378023734 /nfs/dbraw/zinc/02/37/34/378023734.db2.gz XSXPFLFVLPBNRC-NSHDSACASA-N 1 2 274.286 1.968 20 30 CDEDLO CC#CCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000135001374 378163241 /nfs/dbraw/zinc/16/32/41/378163241.db2.gz INNRMTUEGKHNSR-UHFFFAOYSA-N 1 2 256.309 1.199 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cccnc2F)CC1 ZINC000287512506 378260096 /nfs/dbraw/zinc/26/00/96/378260096.db2.gz LKQJUJWICANDKQ-UHFFFAOYSA-N 1 2 261.300 1.002 20 30 CDEDLO C=C[C@@H](CO)Nc1nc(N[C@@H](C=C)CO)c(Cl)c[nH+]1 ZINC000291162915 378434281 /nfs/dbraw/zinc/43/42/81/378434281.db2.gz QEOKELGVBGGOQM-IUCAKERBSA-N 1 2 284.747 1.048 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000293104410 378538736 /nfs/dbraw/zinc/53/87/36/378538736.db2.gz LGWUWBOVQMQTQD-UHFFFAOYSA-N 1 2 299.374 1.472 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000293104410 378538741 /nfs/dbraw/zinc/53/87/41/378538741.db2.gz LGWUWBOVQMQTQD-UHFFFAOYSA-N 1 2 299.374 1.472 20 30 CDEDLO C=CCOCCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000293529168 378582130 /nfs/dbraw/zinc/58/21/30/378582130.db2.gz PHJQAGZETVTBNN-UHFFFAOYSA-N 1 2 285.391 1.878 20 30 CDEDLO N#Cc1ccncc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000345408384 378582390 /nfs/dbraw/zinc/58/23/90/378582390.db2.gz QNIVRBAZUJPPEW-CQSZACIVSA-N 1 2 294.314 1.642 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000294784126 378649668 /nfs/dbraw/zinc/64/96/68/378649668.db2.gz AZRVJFIGSBHEII-LLVKDONJSA-N 1 2 281.425 1.834 20 30 CDEDLO C#C[C@@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)C(C)(C)C ZINC000288449398 197081172 /nfs/dbraw/zinc/08/11/72/197081172.db2.gz FOTRTSCKDPEJMZ-VXGBXAGGSA-N 1 2 262.357 1.619 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNc1cccc(C#N)c1[N+](=O)[O-] ZINC000450311650 251218371 /nfs/dbraw/zinc/21/83/71/251218371.db2.gz DWIMWJXBTPEUJH-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNc1cccc(C#N)c1[N+](=O)[O-] ZINC000450311650 251218372 /nfs/dbraw/zinc/21/83/72/251218372.db2.gz DWIMWJXBTPEUJH-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000346246673 285003546 /nfs/dbraw/zinc/00/35/46/285003546.db2.gz DSNYSTKYFGRTJU-NWDGAFQWSA-N 1 2 262.357 1.419 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000346246673 285003547 /nfs/dbraw/zinc/00/35/47/285003547.db2.gz DSNYSTKYFGRTJU-NWDGAFQWSA-N 1 2 262.357 1.419 20 30 CDEDLO C=CCN1CC[C@@H]([NH2+][C@H](COC)c2ccco2)C1=O ZINC000281354426 195208524 /nfs/dbraw/zinc/20/85/24/195208524.db2.gz NJAFPDHHHOJBRG-VXGBXAGGSA-N 1 2 264.325 1.344 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N2CCCCC2)C1=O ZINC000281395191 195223155 /nfs/dbraw/zinc/22/31/55/195223155.db2.gz QAQJGXLKBXYXHL-KGLIPLIRSA-N 1 2 293.411 1.106 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N2CCCCC2)C1=O ZINC000281395191 195223158 /nfs/dbraw/zinc/22/31/58/195223158.db2.gz QAQJGXLKBXYXHL-KGLIPLIRSA-N 1 2 293.411 1.106 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)N2CCCCC2)C1=O ZINC000281395194 195223679 /nfs/dbraw/zinc/22/36/79/195223679.db2.gz QAQJGXLKBXYXHL-UONOGXRCSA-N 1 2 293.411 1.106 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)N2CCCCC2)C1=O ZINC000281395194 195223682 /nfs/dbraw/zinc/22/36/82/195223682.db2.gz QAQJGXLKBXYXHL-UONOGXRCSA-N 1 2 293.411 1.106 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)Cc1[nH+]ccn1C ZINC000281480684 195258985 /nfs/dbraw/zinc/25/89/85/195258985.db2.gz HYVJSYDHCJFHRH-OCCSQVGLSA-N 1 2 292.383 1.543 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccccc1C#N ZINC000034674312 390212957 /nfs/dbraw/zinc/21/29/57/390212957.db2.gz VPZPSPZMMJPUQD-CYBMUJFWSA-N 1 2 259.309 1.143 20 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20 30 CDEDLO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1COCCO1 ZINC000329511700 391001637 /nfs/dbraw/zinc/00/16/37/391001637.db2.gz CCCURPJZMJVHPS-ZIAGYGMSSA-N 1 2 299.415 1.170 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[S@@](=O)CC[C@H]1C ZINC000373033776 391102953 /nfs/dbraw/zinc/10/29/53/391102953.db2.gz XHPDEUGVZQCOJQ-YJYMSZOUSA-N 1 2 284.425 1.030 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[S@@](=O)CC[C@H]1C ZINC000373033776 391102954 /nfs/dbraw/zinc/10/29/54/391102954.db2.gz XHPDEUGVZQCOJQ-YJYMSZOUSA-N 1 2 284.425 1.030 20 30 CDEDLO C[C@@H](CNC(=O)C1CCC(=O)CC1)C[NH+]1CCOCC1 ZINC000329967272 533360448 /nfs/dbraw/zinc/36/04/48/533360448.db2.gz VMARRFCTGAHNDQ-LBPRGKRZSA-N 1 2 282.384 1.671 20 30 CDEDLO C=C(C)CNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000157630101 533515223 /nfs/dbraw/zinc/51/52/23/533515223.db2.gz YCVVPWMBZHDZJH-UHFFFAOYSA-N 1 2 290.367 1.924 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)NCCCCC#N ZINC000178711806 391190634 /nfs/dbraw/zinc/19/06/34/391190634.db2.gz CWSBGFGTEVUDKT-UHFFFAOYSA-N 1 2 263.345 1.608 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000491689841 391212662 /nfs/dbraw/zinc/21/26/62/391212662.db2.gz BPWZHDSSJDZDKB-ZDUSSCGKSA-N 1 2 281.400 1.198 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000491689841 391212668 /nfs/dbraw/zinc/21/26/68/391212668.db2.gz BPWZHDSSJDZDKB-ZDUSSCGKSA-N 1 2 281.400 1.198 20 30 CDEDLO C=C[C@H](C)Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000301604726 391280328 /nfs/dbraw/zinc/28/03/28/391280328.db2.gz LZMPJXHQJNGYRG-NWDGAFQWSA-N 1 2 262.357 1.672 20 30 CDEDLO C=C[C@H](C)Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000301604726 391280331 /nfs/dbraw/zinc/28/03/31/391280331.db2.gz LZMPJXHQJNGYRG-NWDGAFQWSA-N 1 2 262.357 1.672 20 30 CDEDLO C#CC[NH+]1CCN(c2c(C#N)cccc2C#N)CC1 ZINC000302863199 391306532 /nfs/dbraw/zinc/30/65/32/391306532.db2.gz WREDJHFNOPWLLN-UHFFFAOYSA-N 1 2 250.305 1.185 20 30 CDEDLO C[C@H](CCC#N)[N@@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000591015537 391411678 /nfs/dbraw/zinc/41/16/78/391411678.db2.gz NTHWWKXGZISDAK-NEPJUHHUSA-N 1 2 268.357 1.721 20 30 CDEDLO C[C@H](CCC#N)[N@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000591015537 391411683 /nfs/dbraw/zinc/41/16/83/391411683.db2.gz NTHWWKXGZISDAK-NEPJUHHUSA-N 1 2 268.357 1.721 20 30 CDEDLO O=C(CNC(=O)[C@H]1CCn2c[nH+]cc2C1)N1CCCCC1 ZINC000328920308 391393863 /nfs/dbraw/zinc/39/38/63/391393863.db2.gz LSOREKCBSQVBAS-LBPRGKRZSA-N 1 2 290.367 1.415 20 30 CDEDLO Cc1[nH]c(C(=O)N[C@@H](CO)CC2CCCC2)c[nH+]1 ZINC000330432877 391422567 /nfs/dbraw/zinc/42/25/67/391422567.db2.gz NEUVMOLGYXYMFU-LLVKDONJSA-N 1 2 251.330 1.964 20 30 CDEDLO Cc1cc(C)cc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)c1 ZINC000330454064 391424499 /nfs/dbraw/zinc/42/44/99/391424499.db2.gz LWSCBTJKGDSBRV-OAHLLOKOSA-N 1 2 292.379 1.301 20 30 CDEDLO Cc1nc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)c(C)o1 ZINC000330481740 391429530 /nfs/dbraw/zinc/42/95/30/391429530.db2.gz QESDIJBRTSRTIO-VIFPVBQESA-N 1 2 267.329 1.317 20 30 CDEDLO Cc1nc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)c(C)o1 ZINC000330481740 391429533 /nfs/dbraw/zinc/42/95/33/391429533.db2.gz QESDIJBRTSRTIO-VIFPVBQESA-N 1 2 267.329 1.317 20 30 CDEDLO C[C@H](C#N)NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000125052357 391438294 /nfs/dbraw/zinc/43/82/94/391438294.db2.gz HZAUSBQHZQAQJY-TZMCWYRMSA-N 1 2 289.404 1.805 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1ccon1 ZINC000349244138 391539578 /nfs/dbraw/zinc/53/95/78/391539578.db2.gz QGYUFEVTGMOYDJ-GWCFXTLKSA-N 1 2 264.329 1.380 20 30 CDEDLO C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccon1 ZINC000349251403 391540086 /nfs/dbraw/zinc/54/00/86/391540086.db2.gz RAEIWDYQMGNLMH-NOZJJQNGSA-N 1 2 262.313 1.134 20 30 CDEDLO CCc1cnc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)s1 ZINC000567899725 391546328 /nfs/dbraw/zinc/54/63/28/391546328.db2.gz RGXJYRIJLRCDBJ-UHFFFAOYSA-N 1 2 298.375 1.910 20 30 CDEDLO CC[C@](C)(C#N)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000349640101 391568111 /nfs/dbraw/zinc/56/81/11/391568111.db2.gz BKSZVAAIUHHDJX-GOEBONIOSA-N 1 2 295.427 1.789 20 30 CDEDLO C=CCCCC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000359129391 391578252 /nfs/dbraw/zinc/57/82/52/391578252.db2.gz QSOVQYWPZRCRLY-UHFFFAOYSA-N 1 2 262.357 1.410 20 30 CDEDLO C=CCCCC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000359216385 391583721 /nfs/dbraw/zinc/58/37/21/391583721.db2.gz RFOZVCQXAVNRTL-UHFFFAOYSA-N 1 2 276.384 1.421 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@@H]1CCCC1(C)C)C(=O)OC ZINC000361105453 391681528 /nfs/dbraw/zinc/68/15/28/391681528.db2.gz BSYSIMJLYALJTP-VXGBXAGGSA-N 1 2 255.358 1.899 20 30 CDEDLO CC[C@]1(CO)CCCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329753436 391771089 /nfs/dbraw/zinc/77/10/89/391771089.db2.gz WUYHIUBHDDWFLO-IAQYHMDHSA-N 1 2 292.383 1.418 20 30 CDEDLO CC[C@]1(CO)CCCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329753436 391771093 /nfs/dbraw/zinc/77/10/93/391771093.db2.gz WUYHIUBHDDWFLO-IAQYHMDHSA-N 1 2 292.383 1.418 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@H]1CCOC1 ZINC000329806852 391782802 /nfs/dbraw/zinc/78/28/02/391782802.db2.gz BHQXQVGDVQONLM-VXGBXAGGSA-N 1 2 256.346 1.090 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@H]1CCOC1 ZINC000329806852 391782806 /nfs/dbraw/zinc/78/28/06/391782806.db2.gz BHQXQVGDVQONLM-VXGBXAGGSA-N 1 2 256.346 1.090 20 30 CDEDLO CCC1(C)CN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329826499 391785700 /nfs/dbraw/zinc/78/57/00/391785700.db2.gz RFVRLYQWHZAHKV-JTQLQIEISA-N 1 2 262.357 1.913 20 30 CDEDLO CCC1(C)CN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329826499 391785703 /nfs/dbraw/zinc/78/57/03/391785703.db2.gz RFVRLYQWHZAHKV-JTQLQIEISA-N 1 2 262.357 1.913 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000372600675 391858228 /nfs/dbraw/zinc/85/82/28/391858228.db2.gz NUEHATKPJJBCEG-LLVKDONJSA-N 1 2 287.201 1.886 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000372600675 391858231 /nfs/dbraw/zinc/85/82/31/391858231.db2.gz NUEHATKPJJBCEG-LLVKDONJSA-N 1 2 287.201 1.886 20 30 CDEDLO CC#CC[N@@H+]1CCc2ccc(S(C)(=O)=O)cc2CC1 ZINC000336127449 391858444 /nfs/dbraw/zinc/85/84/44/391858444.db2.gz UOVHXQUDSDBKTE-UHFFFAOYSA-N 1 2 277.389 1.514 20 30 CDEDLO CC#CC[N@H+]1CCc2ccc(S(C)(=O)=O)cc2CC1 ZINC000336127449 391858445 /nfs/dbraw/zinc/85/84/45/391858445.db2.gz UOVHXQUDSDBKTE-UHFFFAOYSA-N 1 2 277.389 1.514 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc(C#N)c(O)c2)C1 ZINC000442673274 392448493 /nfs/dbraw/zinc/44/84/93/392448493.db2.gz SXVDDCHJJLITLZ-CYBMUJFWSA-N 1 2 296.330 1.627 20 30 CDEDLO Cc1cc(N[C@@H]2CCO[C@H](c3ccnn3C)C2)c(C#N)c[nH+]1 ZINC000519145081 392844487 /nfs/dbraw/zinc/84/44/87/392844487.db2.gz IZKXZJQGMBXJRG-CJNGLKHVSA-N 1 2 297.362 1.749 20 30 CDEDLO COc1ccc(C[N@@H+]2CCO[C@@H](CF)C2)cc1C#N ZINC000411836326 392815570 /nfs/dbraw/zinc/81/55/70/392815570.db2.gz DYIOFFYEZNOHQG-ZDUSSCGKSA-N 1 2 264.300 1.737 20 30 CDEDLO COc1ccc(C[N@H+]2CCO[C@@H](CF)C2)cc1C#N ZINC000411836326 392815577 /nfs/dbraw/zinc/81/55/77/392815577.db2.gz DYIOFFYEZNOHQG-ZDUSSCGKSA-N 1 2 264.300 1.737 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Nc1ncc(C#N)cc1F ZINC000413057324 392825038 /nfs/dbraw/zinc/82/50/38/392825038.db2.gz FPPRPHRYUIPJBY-SNVBAGLBSA-N 1 2 264.304 1.225 20 30 CDEDLO Cc1c([C@@H](C)Nc2cc(C)[nH+]cc2C#N)cnn1C ZINC000425202789 392991711 /nfs/dbraw/zinc/99/17/11/392991711.db2.gz CUZNKLLVNOMELL-SNVBAGLBSA-N 1 2 255.325 1.899 20 30 CDEDLO CC[C@@]1(O)CC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000425929920 393031539 /nfs/dbraw/zinc/03/15/39/393031539.db2.gz HMIXJJOKVBSIJJ-GDBMZVCRSA-N 1 2 288.347 1.619 20 30 CDEDLO CC[C@@]1(O)CC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000425929920 393031546 /nfs/dbraw/zinc/03/15/46/393031546.db2.gz HMIXJJOKVBSIJJ-GDBMZVCRSA-N 1 2 288.347 1.619 20 30 CDEDLO Cc1cc(N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)c(C#N)c[nH+]1 ZINC000425223833 392997185 /nfs/dbraw/zinc/99/71/85/392997185.db2.gz IXKDSMBEXWNVDH-GXTWGEPZSA-N 1 2 286.379 1.743 20 30 CDEDLO CNc1ccc(C#N)cc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000332602605 393153625 /nfs/dbraw/zinc/15/36/25/393153625.db2.gz JKXSIJCDEFAGBI-LBPRGKRZSA-N 1 2 295.346 1.998 20 30 CDEDLO CC[C@H](C)[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)C(=O)OC ZINC000232314531 140222168 /nfs/dbraw/zinc/22/21/68/140222168.db2.gz HTBVCTZQWKXKIP-GXFFZTMASA-N 1 2 263.341 1.574 20 30 CDEDLO C[C@H](CS(C)(=O)=O)[N@H+](C)CCOc1ccccc1C#N ZINC000069863238 146889179 /nfs/dbraw/zinc/88/91/79/146889179.db2.gz FWBOOEGDDSQUJO-GFCCVEGCSA-N 1 2 296.392 1.302 20 30 CDEDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)CCOc1ccccc1C#N ZINC000069863238 146889182 /nfs/dbraw/zinc/88/91/82/146889182.db2.gz FWBOOEGDDSQUJO-GFCCVEGCSA-N 1 2 296.392 1.302 20 30 CDEDLO Cc1ncsc1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115599541 147265165 /nfs/dbraw/zinc/26/51/65/147265165.db2.gz SYUBFZDTWRHRBK-CYBMUJFWSA-N 1 2 286.360 1.639 20 30 CDEDLO COc1cc(C[N@@H+]2CC[S@](=O)CC[C@H]2C)ccc1C#N ZINC000373026421 286220473 /nfs/dbraw/zinc/22/04/73/286220473.db2.gz SKPUMRXTGOEIFX-MPBGBICISA-N 1 2 292.404 1.910 20 30 CDEDLO COc1cc(C[N@H+]2CC[S@](=O)CC[C@H]2C)ccc1C#N ZINC000373026421 286220476 /nfs/dbraw/zinc/22/04/76/286220476.db2.gz SKPUMRXTGOEIFX-MPBGBICISA-N 1 2 292.404 1.910 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2ccccc2)nn1 ZINC000656446061 413256702 /nfs/dbraw/zinc/25/67/02/413256702.db2.gz GBLHTZSYCIYMRM-ZDUSSCGKSA-N 1 2 297.362 1.591 20 30 CDEDLO N#Cc1csc(C[NH2+][C@H](C(N)=O)c2ccccc2)c1 ZINC000343155075 152051404 /nfs/dbraw/zinc/05/14/04/152051404.db2.gz SFXWQESWCDEIBE-ZDUSSCGKSA-N 1 2 271.345 1.936 20 30 CDEDLO N#Cc1cccc(C[NH2+]Cc2nnnn2CC2CC2)c1 ZINC000349665347 154173908 /nfs/dbraw/zinc/17/39/08/154173908.db2.gz IKKHOERGVGJERB-UHFFFAOYSA-N 1 2 268.324 1.245 20 30 CDEDLO C[C@H]([NH2+][C@@H](C)c1nncn1C)C(=O)Nc1ccccc1C#N ZINC000358794040 158029583 /nfs/dbraw/zinc/02/95/83/158029583.db2.gz YCWARQLGFXULCG-QWRGUYRKSA-N 1 2 298.350 1.365 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc(Cl)c(C#N)n1 ZINC000359466329 158255569 /nfs/dbraw/zinc/25/55/69/158255569.db2.gz MBIOOGHMEVKDSR-SECBINFHSA-N 1 2 261.716 1.726 20 30 CDEDLO C#CCC[N@H+]1CCc2c(cccc2S(=O)(=O)N(C)C)C1 ZINC000284822187 196138347 /nfs/dbraw/zinc/13/83/47/196138347.db2.gz PYQVFYFKEHCXJH-UHFFFAOYSA-N 1 2 292.404 1.318 20 30 CDEDLO C#CCC[N@@H+]1CCc2c(cccc2S(=O)(=O)N(C)C)C1 ZINC000284822187 196138349 /nfs/dbraw/zinc/13/83/49/196138349.db2.gz PYQVFYFKEHCXJH-UHFFFAOYSA-N 1 2 292.404 1.318 20 30 CDEDLO C=CCCCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661034880 413739239 /nfs/dbraw/zinc/73/92/39/413739239.db2.gz YUABHCNXXHIYCX-CQSZACIVSA-N 1 2 281.400 1.459 20 30 CDEDLO C=CC(C)(C)CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000665024541 413799454 /nfs/dbraw/zinc/79/94/54/413799454.db2.gz YUDXCHHRPZQWAE-QWHCGFSZSA-N 1 2 283.416 1.607 20 30 CDEDLO C=CC(C)(C)CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000665024541 413799459 /nfs/dbraw/zinc/79/94/59/413799459.db2.gz YUDXCHHRPZQWAE-QWHCGFSZSA-N 1 2 283.416 1.607 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2ccc(OC)nc2)nn1 ZINC000657301721 414136311 /nfs/dbraw/zinc/13/63/11/414136311.db2.gz MEBXISOYDPBHGH-UHFFFAOYSA-N 1 2 273.340 1.548 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2ccnc(C)c2)nn1 ZINC000657479700 414378292 /nfs/dbraw/zinc/37/82/92/414378292.db2.gz GOKZAVNAUHYSEA-UHFFFAOYSA-N 1 2 257.341 1.847 20 30 CDEDLO CC(C)[C@@H](CNc1cc(C#N)ccn1)N1CC[NH+](C)CC1 ZINC000040770412 174399829 /nfs/dbraw/zinc/39/98/29/174399829.db2.gz NOBAJYSNLAJWTI-OAHLLOKOSA-N 1 2 287.411 1.637 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)CC(C)(C)O1 ZINC000044477821 175178849 /nfs/dbraw/zinc/17/88/49/175178849.db2.gz PQQQDYMSXNUOAY-GFCCVEGCSA-N 1 2 287.363 1.996 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CC(C)(C)O1 ZINC000044477821 175178850 /nfs/dbraw/zinc/17/88/50/175178850.db2.gz PQQQDYMSXNUOAY-GFCCVEGCSA-N 1 2 287.363 1.996 20 30 CDEDLO C#CC[NH+]1CCN(Cn2nc(C3CC3)n(C)c2=S)CC1 ZINC000044756507 175246039 /nfs/dbraw/zinc/24/60/39/175246039.db2.gz XHLYXQHYTZGDOE-UHFFFAOYSA-N 1 2 291.424 1.037 20 30 CDEDLO C=C(C)C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000071012574 176020571 /nfs/dbraw/zinc/02/05/71/176020571.db2.gz GPKZNBFZTYGNGF-OLZOCXBDSA-N 1 2 273.398 1.231 20 30 CDEDLO C=C(C)C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000071012574 176020573 /nfs/dbraw/zinc/02/05/73/176020573.db2.gz GPKZNBFZTYGNGF-OLZOCXBDSA-N 1 2 273.398 1.231 20 30 CDEDLO Cc1cc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)c(=O)n(C)c1 ZINC000329013716 227258195 /nfs/dbraw/zinc/25/81/95/227258195.db2.gz JEIALIFQQFLXJR-NSHDSACASA-N 1 2 286.335 1.741 20 30 CDEDLO Cc1n[nH]c(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)n1 ZINC000330025328 228019755 /nfs/dbraw/zinc/01/97/55/228019755.db2.gz AVBHDQNXBLOHNF-LLVKDONJSA-N 1 2 279.388 1.877 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@@H]1CCCCO1 ZINC000330181401 228057796 /nfs/dbraw/zinc/05/77/96/228057796.db2.gz GSYBATIXWVMWBA-NEPJUHHUSA-N 1 2 278.356 1.271 20 30 CDEDLO [O-]C(NC[C@@H]1CCCCO1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330181401 228057799 /nfs/dbraw/zinc/05/77/99/228057799.db2.gz GSYBATIXWVMWBA-NEPJUHHUSA-N 1 2 278.356 1.271 20 30 CDEDLO CC[N@H+](Cc1cc(C#N)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000179599595 260057863 /nfs/dbraw/zinc/05/78/63/260057863.db2.gz WRUXQHKIYUXOLU-LLVKDONJSA-N 1 2 284.406 1.629 20 30 CDEDLO CC[N@@H+](Cc1cc(C#N)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000179599595 260057864 /nfs/dbraw/zinc/05/78/64/260057864.db2.gz WRUXQHKIYUXOLU-LLVKDONJSA-N 1 2 284.406 1.629 20 30 CDEDLO Cc1ncc(C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)s1 ZINC000047259195 260195398 /nfs/dbraw/zinc/19/53/98/260195398.db2.gz OXCWQCUTIJSBMY-AWEZNQCLSA-N 1 2 294.424 1.938 20 30 CDEDLO Cc1ncc(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)s1 ZINC000047259195 260195399 /nfs/dbraw/zinc/19/53/99/260195399.db2.gz OXCWQCUTIJSBMY-AWEZNQCLSA-N 1 2 294.424 1.938 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000408099182 260229760 /nfs/dbraw/zinc/22/97/60/260229760.db2.gz YAGPCGBNBJEXEE-DVOMOZLQSA-N 1 2 295.427 1.929 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000408099182 260229761 /nfs/dbraw/zinc/22/97/61/260229761.db2.gz YAGPCGBNBJEXEE-DVOMOZLQSA-N 1 2 295.427 1.929 20 30 CDEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NCc1cccnc1 ZINC000072691915 260277635 /nfs/dbraw/zinc/27/76/35/260277635.db2.gz IJTLERMBKLYIBQ-UHFFFAOYSA-N 1 2 288.395 1.960 20 30 CDEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NCc1cccnc1 ZINC000072691915 260277637 /nfs/dbraw/zinc/27/76/37/260277637.db2.gz IJTLERMBKLYIBQ-UHFFFAOYSA-N 1 2 288.395 1.960 20 30 CDEDLO N#CCCn1cc(C(=O)C[N@H+]2CC[C@@H](O)C2)c2ccccc21 ZINC000152648402 261067295 /nfs/dbraw/zinc/06/72/95/261067295.db2.gz MIQMNZPLTIBDGC-CYBMUJFWSA-N 1 2 297.358 1.804 20 30 CDEDLO N#CCCn1cc(C(=O)C[N@@H+]2CC[C@@H](O)C2)c2ccccc21 ZINC000152648402 261067297 /nfs/dbraw/zinc/06/72/97/261067297.db2.gz MIQMNZPLTIBDGC-CYBMUJFWSA-N 1 2 297.358 1.804 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H](C)C1CCSCC1)C(=O)OC ZINC000361114959 261162664 /nfs/dbraw/zinc/16/26/64/261162664.db2.gz VETWWDYUUIMEHT-YPMHNXCESA-N 1 2 287.425 1.852 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCOC[C@@H]1c1cccn1C ZINC000249416287 261252387 /nfs/dbraw/zinc/25/23/87/261252387.db2.gz ZKLIDKVCBHTKTE-DZGCQCFKSA-N 1 2 264.369 1.726 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCOC[C@@H]1c1cccn1C ZINC000249416287 261252388 /nfs/dbraw/zinc/25/23/88/261252388.db2.gz ZKLIDKVCBHTKTE-DZGCQCFKSA-N 1 2 264.369 1.726 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1ccccc1OCC(=O)N(C)C ZINC000184091272 262008540 /nfs/dbraw/zinc/00/85/40/262008540.db2.gz WJVBXUNOKAFMSZ-AWEZNQCLSA-N 1 2 289.379 1.935 20 30 CDEDLO NC(CN1CCOCC1)=[NH+]OCc1ccc(C(F)F)cc1 ZINC000185791752 262071561 /nfs/dbraw/zinc/07/15/61/262071561.db2.gz MYBAPNJQOULHBU-UHFFFAOYSA-N 1 2 299.321 1.745 20 30 CDEDLO COC[C@H](C)O[NH+]=C(N)COc1cc(F)cc(F)c1 ZINC000186835812 262112562 /nfs/dbraw/zinc/11/25/62/262112562.db2.gz HFFFAUBGXFLDFZ-QMMMGPOBSA-N 1 2 274.267 1.667 20 30 CDEDLO COC[C@@H](C)O[NH+]=C(N)COc1ccccc1F ZINC000186865154 262113658 /nfs/dbraw/zinc/11/36/58/262113658.db2.gz WGCZTMQPSXRQKW-SECBINFHSA-N 1 2 256.277 1.528 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000188309026 262289455 /nfs/dbraw/zinc/28/94/55/262289455.db2.gz YLBLNCTUZUMDSC-OCCSQVGLSA-N 1 2 254.374 1.426 20 30 CDEDLO N#CCc1cccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000366095085 262550555 /nfs/dbraw/zinc/55/05/55/262550555.db2.gz VIRYNYYHSJEYCW-MRXNPFEDSA-N 1 2 299.374 1.299 20 30 CDEDLO N#CCN1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000272694890 263008051 /nfs/dbraw/zinc/00/80/51/263008051.db2.gz DENIKPORNBMMTG-UHFFFAOYSA-N 1 2 256.284 1.893 20 30 CDEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000276327709 263036337 /nfs/dbraw/zinc/03/63/37/263036337.db2.gz QIGCEAPZGIUGRW-CYBMUJFWSA-N 1 2 287.363 1.842 20 30 CDEDLO N#CCCC[NH+]1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000277152461 263039892 /nfs/dbraw/zinc/03/98/92/263039892.db2.gz JRHGZIYOGJJBKN-UHFFFAOYSA-N 1 2 284.285 1.925 20 30 CDEDLO C=CC[C@@H](CO)C[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000340318676 263110458 /nfs/dbraw/zinc/11/04/58/263110458.db2.gz WFHLOJIPZFMFCA-DGCLKSJQSA-N 1 2 273.340 1.063 20 30 CDEDLO C=CC[N@H+](CCC#N)CCN1C(=O)c2ccccc2C1=O ZINC000292164379 263129137 /nfs/dbraw/zinc/12/91/37/263129137.db2.gz LGZRSNKWQGCKMB-UHFFFAOYSA-N 1 2 283.331 1.684 20 30 CDEDLO C=CC[N@@H+](CCC#N)CCN1C(=O)c2ccccc2C1=O ZINC000292164379 263129138 /nfs/dbraw/zinc/12/91/38/263129138.db2.gz LGZRSNKWQGCKMB-UHFFFAOYSA-N 1 2 283.331 1.684 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292193582 263129420 /nfs/dbraw/zinc/12/94/20/263129420.db2.gz NGOGTGPWUQERAU-LSDHHAIUSA-N 1 2 295.346 1.850 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292193582 263129421 /nfs/dbraw/zinc/12/94/21/263129421.db2.gz NGOGTGPWUQERAU-LSDHHAIUSA-N 1 2 295.346 1.850 20 30 CDEDLO C/C=C/C=C/C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000299566047 263247715 /nfs/dbraw/zinc/24/77/15/263247715.db2.gz WIQIAGDAOJIBRP-WJPDYIDTSA-N 1 2 277.368 1.193 20 30 CDEDLO CC#CC[NH+]1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000119919952 263279050 /nfs/dbraw/zinc/27/90/50/263279050.db2.gz IABZACBNCMQSEF-QGZVFWFLSA-N 1 2 297.402 1.433 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000120463319 263283864 /nfs/dbraw/zinc/28/38/64/263283864.db2.gz ITTXRZAZOKODMX-WCQYABFASA-N 1 2 289.383 1.315 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000120463319 263283866 /nfs/dbraw/zinc/28/38/66/263283866.db2.gz ITTXRZAZOKODMX-WCQYABFASA-N 1 2 289.383 1.315 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000121345330 263291915 /nfs/dbraw/zinc/29/19/15/263291915.db2.gz FKUGSJKVALEIKZ-UHFFFAOYSA-N 1 2 264.325 1.719 20 30 CDEDLO C=CC[N@H+](C)CC(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000121345330 263291917 /nfs/dbraw/zinc/29/19/17/263291917.db2.gz FKUGSJKVALEIKZ-UHFFFAOYSA-N 1 2 264.325 1.719 20 30 CDEDLO C=CC[N@@H+](C)[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000121628210 263296411 /nfs/dbraw/zinc/29/64/11/263296411.db2.gz KYJIMEGPHGTGGM-NSHDSACASA-N 1 2 273.336 1.478 20 30 CDEDLO C=CC[N@H+](C)[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000121628210 263296412 /nfs/dbraw/zinc/29/64/12/263296412.db2.gz KYJIMEGPHGTGGM-NSHDSACASA-N 1 2 273.336 1.478 20 30 CDEDLO CCn1ccnc1C[NH+]1CCC(C#N)(COC)CC1 ZINC000341994205 263372999 /nfs/dbraw/zinc/37/29/99/263372999.db2.gz SENKCSHLEMMECC-UHFFFAOYSA-N 1 2 262.357 1.655 20 30 CDEDLO CCn1cc[nH+]c1CN1CCC(C#N)(COC)CC1 ZINC000341994205 263373001 /nfs/dbraw/zinc/37/30/01/263373001.db2.gz SENKCSHLEMMECC-UHFFFAOYSA-N 1 2 262.357 1.655 20 30 CDEDLO CCCc1nc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)co1 ZINC000330814388 264045790 /nfs/dbraw/zinc/04/57/90/264045790.db2.gz LXJVMCSZTGZCJO-NSHDSACASA-N 1 2 281.356 1.652 20 30 CDEDLO CCCc1nc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)co1 ZINC000330814388 264045792 /nfs/dbraw/zinc/04/57/92/264045792.db2.gz LXJVMCSZTGZCJO-NSHDSACASA-N 1 2 281.356 1.652 20 30 CDEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)Nc1ncccn1 ZINC000330866431 264057766 /nfs/dbraw/zinc/05/77/66/264057766.db2.gz XRHMMOJBPMKWKB-HBNTYKKESA-N 1 2 259.313 1.085 20 30 CDEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)CCCC#N)CC1 ZINC000330885312 264062836 /nfs/dbraw/zinc/06/28/36/264062836.db2.gz FOWXELOECNEDAM-UHFFFAOYSA-N 1 2 266.345 1.138 20 30 CDEDLO CC(C)=CCCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000331088113 264118674 /nfs/dbraw/zinc/11/86/74/264118674.db2.gz RLNFWHPQMKNWOQ-UHFFFAOYSA-N 1 2 283.416 1.957 20 30 CDEDLO CC(C)=CCCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000331088113 264118675 /nfs/dbraw/zinc/11/86/75/264118675.db2.gz RLNFWHPQMKNWOQ-UHFFFAOYSA-N 1 2 283.416 1.957 20 30 CDEDLO Cc1ccc(C(=O)NC(C)(C)C[NH+]2CCOCC2)cn1 ZINC000331336378 264193979 /nfs/dbraw/zinc/19/39/79/264193979.db2.gz IXKAWBPINZAYDA-UHFFFAOYSA-N 1 2 277.368 1.805 20 30 CDEDLO C=CCCn1cc(C(=O)NCc2c[nH+]c(C)cc2C)nn1 ZINC000424862206 264246907 /nfs/dbraw/zinc/24/69/07/264246907.db2.gz GKOSLMBZELBDMX-UHFFFAOYSA-N 1 2 285.351 1.796 20 30 CDEDLO C=CCN(C(=O)NCC[N@@H+]1CCOC(C)(C)C1)C1CC1 ZINC000357567063 266326532 /nfs/dbraw/zinc/32/65/32/266326532.db2.gz DHUVJRSLMDFHFN-UHFFFAOYSA-N 1 2 281.400 1.457 20 30 CDEDLO C=CCN(C(=O)NCC[N@H+]1CCOC(C)(C)C1)C1CC1 ZINC000357567063 266326537 /nfs/dbraw/zinc/32/65/37/266326537.db2.gz DHUVJRSLMDFHFN-UHFFFAOYSA-N 1 2 281.400 1.457 20 30 CDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CC(C)(C)C#N ZINC000367747885 267114366 /nfs/dbraw/zinc/11/43/66/267114366.db2.gz WUDKOTGUNWGLGC-STQMWFEESA-N 1 2 279.384 1.248 20 30 CDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc(C#N)cc1F ZINC000376183813 278016993 /nfs/dbraw/zinc/01/69/93/278016993.db2.gz DLESQRDDFILCRU-OCCSQVGLSA-N 1 2 289.354 1.997 20 30 CDEDLO CN(C)[C@H](C(=O)N(C)CC(C)(C)C#N)c1c[nH+]cn1C ZINC000353289717 289342998 /nfs/dbraw/zinc/34/29/98/289342998.db2.gz OVLUTGUNZAJWGK-LBPRGKRZSA-N 1 2 277.372 1.031 20 30 CDEDLO C[NH+]1CCN(C(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000286070998 290029217 /nfs/dbraw/zinc/02/92/17/290029217.db2.gz JPZBEJRVLVSXSO-UHFFFAOYSA-N 1 2 263.728 1.599 20 30 CDEDLO Cc1cc(C#N)nc(N[C@H](c2[nH+]ccn2C)C2CC2)n1 ZINC000553604376 290129875 /nfs/dbraw/zinc/12/98/75/290129875.db2.gz SZYUFXIFTVIDPC-LBPRGKRZSA-N 1 2 268.324 1.953 20 30 CDEDLO C[C@@H](O)C[C@H]1COCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000554888909 290196351 /nfs/dbraw/zinc/19/63/51/290196351.db2.gz MJHDBKUDWURPCZ-PWSUYJOCSA-N 1 2 266.366 1.591 20 30 CDEDLO C[C@@H](O)C[C@H]1COCC[N@H+]1Cc1cc(C#N)cs1 ZINC000554888909 290196352 /nfs/dbraw/zinc/19/63/52/290196352.db2.gz MJHDBKUDWURPCZ-PWSUYJOCSA-N 1 2 266.366 1.591 20 30 CDEDLO Cc1nnc([C@H](C)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)[nH]1 ZINC000556820412 290303452 /nfs/dbraw/zinc/30/34/52/290303452.db2.gz TWMBVGALCMMBKS-GWCFXTLKSA-N 1 2 298.350 1.594 20 30 CDEDLO Cc1nnc([C@H](C)[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)[nH]1 ZINC000556820412 290303454 /nfs/dbraw/zinc/30/34/54/290303454.db2.gz TWMBVGALCMMBKS-GWCFXTLKSA-N 1 2 298.350 1.594 20 30 CDEDLO Cc1nsc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c1C#N ZINC000286225193 294007450 /nfs/dbraw/zinc/00/74/50/294007450.db2.gz DGODUBVPLULQGV-ZYHUDNBSSA-N 1 2 292.408 1.623 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CC[C@H](F)C2)CCCCC1 ZINC000334817800 303145860 /nfs/dbraw/zinc/14/58/60/303145860.db2.gz JSJRQINNKVKVJQ-NSHDSACASA-N 1 2 253.321 1.373 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@H](F)C2)CCCCC1 ZINC000334817800 303145864 /nfs/dbraw/zinc/14/58/64/303145864.db2.gz JSJRQINNKVKVJQ-NSHDSACASA-N 1 2 253.321 1.373 20 30 CDEDLO COC(=O)C1(O)CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000563355437 316265245 /nfs/dbraw/zinc/26/52/45/316265245.db2.gz PGKLAHASWFKBML-UHFFFAOYSA-N 1 2 280.349 1.120 20 30 CDEDLO CC(C)CO[C@@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000563219986 327980078 /nfs/dbraw/zinc/98/00/78/327980078.db2.gz CZKBWFFLZNLMHJ-AAEUAGOBSA-N 1 2 255.362 1.008 20 30 CDEDLO N#Cc1ccc(CC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000576321847 317115759 /nfs/dbraw/zinc/11/57/59/317115759.db2.gz BJMPPJOWLGHTNV-IYBDPMFKSA-N 1 2 299.374 1.080 20 30 CDEDLO N#Cc1ccc(CC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000576321847 317115763 /nfs/dbraw/zinc/11/57/63/317115763.db2.gz BJMPPJOWLGHTNV-IYBDPMFKSA-N 1 2 299.374 1.080 20 30 CDEDLO N#Cc1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)nc1N ZINC000578083062 317468467 /nfs/dbraw/zinc/46/84/67/317468467.db2.gz JVWZIJUCHNYWAF-CYBMUJFWSA-N 1 2 281.319 1.588 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CC12CCCCC2 ZINC000571450752 328122823 /nfs/dbraw/zinc/12/28/23/328122823.db2.gz UYJYTSHFAYKFFD-OCCSQVGLSA-N 1 2 263.385 1.917 20 30 CDEDLO COc1ccccc1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000284440201 328245880 /nfs/dbraw/zinc/24/58/80/328245880.db2.gz PFRUWVUYROPGIO-GFCCVEGCSA-N 1 2 250.298 1.663 20 30 CDEDLO CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000330507420 328462787 /nfs/dbraw/zinc/46/27/87/328462787.db2.gz MWMYJTPCOVZQFQ-GFCCVEGCSA-N 1 2 294.399 1.569 20 30 CDEDLO CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cn2)CC1 ZINC000580091045 324367838 /nfs/dbraw/zinc/36/78/38/324367838.db2.gz OIGJCIQIFUBSHH-UHFFFAOYSA-N 1 2 272.352 1.398 20 30 CDEDLO CCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cn2)CC1 ZINC000580091045 324367843 /nfs/dbraw/zinc/36/78/43/324367843.db2.gz OIGJCIQIFUBSHH-UHFFFAOYSA-N 1 2 272.352 1.398 20 30 CDEDLO Cc1cc(N2CCC(n3ccnn3)CC2)c(C#N)c[nH+]1 ZINC000582483013 324983674 /nfs/dbraw/zinc/98/36/74/324983674.db2.gz SUDDVSBXFWQDJM-UHFFFAOYSA-N 1 2 268.324 1.695 20 30 CDEDLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000583761698 325237117 /nfs/dbraw/zinc/23/71/17/325237117.db2.gz ZPUIATPJYWMYBX-AWEZNQCLSA-N 1 2 287.367 1.189 20 30 CDEDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000583761698 325237120 /nfs/dbraw/zinc/23/71/20/325237120.db2.gz ZPUIATPJYWMYBX-AWEZNQCLSA-N 1 2 287.367 1.189 20 30 CDEDLO C[C@@H]1CN(c2ccc(C[NH2+]CCC#N)cn2)CCO1 ZINC000564843777 327007219 /nfs/dbraw/zinc/00/72/19/327007219.db2.gz FULGCSPQSQQVJM-GFCCVEGCSA-N 1 2 260.341 1.310 20 30 CDEDLO N#CCC[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000576271882 327027093 /nfs/dbraw/zinc/02/70/93/327027093.db2.gz LUARRGDYJAJNNN-GFCCVEGCSA-N 1 2 263.728 1.949 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000047993037 327276436 /nfs/dbraw/zinc/27/64/36/327276436.db2.gz KHUPZXUMNAKXFU-YPMHNXCESA-N 1 2 269.414 1.478 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N(C)C[C@@H](C)C#N)ccn12 ZINC000583449494 327372843 /nfs/dbraw/zinc/37/28/43/327372843.db2.gz MMXQXSHZLHIDEH-JTQLQIEISA-N 1 2 256.309 1.874 20 30 CDEDLO CCOC(=O)CC(C)(C)CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000579599044 327394602 /nfs/dbraw/zinc/39/46/02/327394602.db2.gz WSWJCGNHRMCCSS-OAHLLOKOSA-N 1 2 297.399 1.316 20 30 CDEDLO CN(C)c1cc(C#N)cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000582549478 329106085 /nfs/dbraw/zinc/10/60/85/329106085.db2.gz COQIPUACDXGWQG-INIZCTEOSA-N 1 2 299.378 1.198 20 30 CDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCC1(C#N)CCC1 ZINC000419651385 329743601 /nfs/dbraw/zinc/74/36/01/329743601.db2.gz VZIGZQKJLZIGQF-UHFFFAOYSA-N 1 2 294.399 1.090 20 30 CDEDLO CC[C@@H]1C[NH+](CC(=O)NC2(C#N)CCC2)C[C@@H](CC)O1 ZINC000420955458 329790974 /nfs/dbraw/zinc/79/09/74/329790974.db2.gz LRAGPXCBOQEOJD-CHWSQXEVSA-N 1 2 279.384 1.438 20 30 CDEDLO C=CCCn1cc(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)nn1 ZINC000571875257 329925817 /nfs/dbraw/zinc/92/58/17/329925817.db2.gz ZWNUALVDVSSIDI-GHMZBOCLSA-N 1 2 286.339 1.487 20 30 CDEDLO N#CCCC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000571884926 329928173 /nfs/dbraw/zinc/92/81/73/329928173.db2.gz ZWJUMLIENMSMGL-AWEZNQCLSA-N 1 2 286.379 1.988 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090009756 330389961 /nfs/dbraw/zinc/38/99/61/330389961.db2.gz FFAKQAGXPAEHRM-CQSZACIVSA-N 1 2 266.385 1.522 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000090009756 330389962 /nfs/dbraw/zinc/38/99/62/330389962.db2.gz FFAKQAGXPAEHRM-CQSZACIVSA-N 1 2 266.385 1.522 20 30 CDEDLO CC(C)[C@H](CNC(=O)[C@]1(C#N)C[C@@H]1C)[NH+]1CCOCC1 ZINC000448634082 330746060 /nfs/dbraw/zinc/74/60/60/330746060.db2.gz RUQWJOIMGIFTCD-YDHLFZDLSA-N 1 2 279.384 1.009 20 30 CDEDLO C=C(CC)CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000455553485 331172943 /nfs/dbraw/zinc/17/29/43/331172943.db2.gz HOFLOXXXCQTDTQ-UHFFFAOYSA-N 1 2 274.368 1.879 20 30 CDEDLO C=CCn1cccc1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000488845549 332029093 /nfs/dbraw/zinc/02/90/93/332029093.db2.gz WKPZMESFUQTGAV-UHFFFAOYSA-N 1 2 277.368 1.078 20 30 CDEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000489443551 332052865 /nfs/dbraw/zinc/05/28/65/332052865.db2.gz CLEWQDDVGPRDIN-LBPRGKRZSA-N 1 2 258.325 1.563 20 30 CDEDLO C=C[C@H]1CCCC[N@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000489443551 332052866 /nfs/dbraw/zinc/05/28/66/332052866.db2.gz CLEWQDDVGPRDIN-LBPRGKRZSA-N 1 2 258.325 1.563 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000491326622 332190756 /nfs/dbraw/zinc/19/07/56/332190756.db2.gz OQNJMNBBKZQDNE-SNVBAGLBSA-N 1 2 285.303 1.919 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000491326622 332190758 /nfs/dbraw/zinc/19/07/58/332190758.db2.gz OQNJMNBBKZQDNE-SNVBAGLBSA-N 1 2 285.303 1.919 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C1CC1 ZINC000491393407 332203262 /nfs/dbraw/zinc/20/32/62/332203262.db2.gz HNDMFHBPOAPAGQ-UHFFFAOYSA-N 1 2 267.332 1.272 20 30 CDEDLO C#CC[N@H+](CC(=O)NCc1ccc(C#N)cc1)C1CC1 ZINC000491393407 332203263 /nfs/dbraw/zinc/20/32/63/332203263.db2.gz HNDMFHBPOAPAGQ-UHFFFAOYSA-N 1 2 267.332 1.272 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)NC(C)(C)C)n1 ZINC000491429069 332210238 /nfs/dbraw/zinc/21/02/38/332210238.db2.gz RSTVYVBFXHKDOF-ZDUSSCGKSA-N 1 2 290.411 1.641 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)NC(C)(C)C)n1 ZINC000491429069 332210239 /nfs/dbraw/zinc/21/02/39/332210239.db2.gz RSTVYVBFXHKDOF-ZDUSSCGKSA-N 1 2 290.411 1.641 20 30 CDEDLO C#CC[NH+]1CCN(c2cc(SC)nc(SC)n2)CC1 ZINC000491486703 332221216 /nfs/dbraw/zinc/22/12/16/332221216.db2.gz XUTCDJUDWSTAPF-UHFFFAOYSA-N 1 2 294.449 1.676 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1cccnc1Cl)C1CC1 ZINC000491523802 332229421 /nfs/dbraw/zinc/22/94/21/332229421.db2.gz HKFQZLVDQYUNJS-UHFFFAOYSA-N 1 2 263.728 1.771 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1cccnc1Cl)C1CC1 ZINC000491523802 332229423 /nfs/dbraw/zinc/22/94/23/332229423.db2.gz HKFQZLVDQYUNJS-UHFFFAOYSA-N 1 2 263.728 1.771 20 30 CDEDLO C#C[C@H]1COCCN1C(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000491616472 332243554 /nfs/dbraw/zinc/24/35/54/332243554.db2.gz ASTZWZATOTTZGD-ZDUSSCGKSA-N 1 2 297.358 1.459 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1nnc(CCCC)s1 ZINC000491704930 332298323 /nfs/dbraw/zinc/29/83/23/332298323.db2.gz KZQFRAQGKZCOGY-JTQLQIEISA-N 1 2 280.397 1.773 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1nnc(CCCC)s1 ZINC000491704930 332298324 /nfs/dbraw/zinc/29/83/24/332298324.db2.gz KZQFRAQGKZCOGY-JTQLQIEISA-N 1 2 280.397 1.773 20 30 CDEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)C(C)(C)C ZINC000491745161 332323041 /nfs/dbraw/zinc/32/30/41/332323041.db2.gz JVZZNJLBZUHXCN-CYBMUJFWSA-N 1 2 295.427 1.444 20 30 CDEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)C(C)(C)C ZINC000491745161 332323042 /nfs/dbraw/zinc/32/30/42/332323042.db2.gz JVZZNJLBZUHXCN-CYBMUJFWSA-N 1 2 295.427 1.444 20 30 CDEDLO C#CCN(C(=O)c1ccc(C[NH+]2CCOCC2)cn1)C1CC1 ZINC000491748099 332325249 /nfs/dbraw/zinc/32/52/49/332325249.db2.gz SKBVQSPXSZDYIU-UHFFFAOYSA-N 1 2 299.374 1.152 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H]2CC[C@@H](C)O2)n1 ZINC000491759658 332331095 /nfs/dbraw/zinc/33/10/95/332331095.db2.gz NUCQOLCOBHNZDP-ZBFHGGJFSA-N 1 2 291.395 1.532 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H]2CC[C@@H](C)O2)n1 ZINC000491759658 332331096 /nfs/dbraw/zinc/33/10/96/332331096.db2.gz NUCQOLCOBHNZDP-ZBFHGGJFSA-N 1 2 291.395 1.532 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CCCC)n2C2CC2)CC1 ZINC000491780864 332345083 /nfs/dbraw/zinc/34/50/83/332345083.db2.gz LFUMTAYYCSCMNA-UHFFFAOYSA-N 1 2 287.411 1.711 20 30 CDEDLO N#CCOc1ccc(/C=C\C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000492043831 332380284 /nfs/dbraw/zinc/38/02/84/332380284.db2.gz RGFUKYXKACTQJR-UTCJRWHESA-N 1 2 296.330 1.684 20 30 CDEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@](C)(C#N)C(C)C ZINC000492448780 332397862 /nfs/dbraw/zinc/39/78/62/332397862.db2.gz NSTNTEWMNZSDFM-AFNCTOJWSA-N 1 2 260.341 1.971 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCC1(c2ccccc2)CC1 ZINC000192238294 333233576 /nfs/dbraw/zinc/23/35/76/333233576.db2.gz OGSBWNUOIVADQF-UHFFFAOYSA-N 1 2 256.349 1.399 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCC1(c2ccccc2)CC1 ZINC000192238294 333233577 /nfs/dbraw/zinc/23/35/77/333233577.db2.gz OGSBWNUOIVADQF-UHFFFAOYSA-N 1 2 256.349 1.399 20 30 CDEDLO COC[C@H](C)OC[C@@H](O)C[N@H+](CC#N)C1CCCC1 ZINC000234702247 333361826 /nfs/dbraw/zinc/36/18/26/333361826.db2.gz ILQCHXXPCVJIFF-JSGCOSHPSA-N 1 2 270.373 1.167 20 30 CDEDLO COC[C@H](C)OC[C@@H](O)C[N@@H+](CC#N)C1CCCC1 ZINC000234702247 333361827 /nfs/dbraw/zinc/36/18/27/333361827.db2.gz ILQCHXXPCVJIFF-JSGCOSHPSA-N 1 2 270.373 1.167 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)Nc1cc(CC#N)ccn1 ZINC000530288005 333537749 /nfs/dbraw/zinc/53/77/49/333537749.db2.gz USBUCEWFIIJVCO-UHFFFAOYSA-N 1 2 269.308 1.452 20 30 CDEDLO N#CC1CCN(c2nc(N)c3ccccc3[nH+]2)CC1 ZINC000132998312 334012775 /nfs/dbraw/zinc/01/27/75/334012775.db2.gz REOWATKWUQISGI-UHFFFAOYSA-N 1 2 253.309 1.952 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1noc2c1CCCC2 ZINC000576231062 335174711 /nfs/dbraw/zinc/17/47/11/335174711.db2.gz YLBHPTJSQQSEMP-AWEZNQCLSA-N 1 2 276.340 1.127 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+]Cc1nccn1C(F)F ZINC000568500807 334827199 /nfs/dbraw/zinc/82/71/99/334827199.db2.gz GQEIUPSRONPVCR-SECBINFHSA-N 1 2 253.256 1.811 20 30 CDEDLO CC(C)Oc1ncccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000577180204 335317711 /nfs/dbraw/zinc/31/77/11/335317711.db2.gz BKYLBCDJZWNSNA-HNNXBMFYSA-N 1 2 290.367 1.442 20 30 CDEDLO CSc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000577282924 335335048 /nfs/dbraw/zinc/33/50/48/335335048.db2.gz CVSOWYQCWIMPGE-AWEZNQCLSA-N 1 2 277.393 1.982 20 30 CDEDLO CC(C)(CC#N)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000579495950 335774643 /nfs/dbraw/zinc/77/46/43/335774643.db2.gz SBHATCIERPAWGF-UHFFFAOYSA-N 1 2 299.334 1.329 20 30 CDEDLO CN(C)c1cccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000581583443 336106214 /nfs/dbraw/zinc/10/62/14/336106214.db2.gz PMSRMPNNRLPFLS-HNNXBMFYSA-N 1 2 274.368 1.326 20 30 CDEDLO Cc1cc(C#N)nc(N(C(N)=[NH2+])c2ccc(F)cc2)n1 ZINC001167989832 1160164004 /nfs/dbraw/zinc/16/40/04/1160164004.db2.gz GGZDNJWOYAHMAN-UHFFFAOYSA-N 1 2 270.271 1.827 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CC[C@H](C)OC ZINC001482592044 1160498753 /nfs/dbraw/zinc/49/87/53/1160498753.db2.gz TWORAONFVREIPZ-LBPRGKRZSA-N 1 2 276.808 1.944 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CC[C@H](C)OC ZINC001482592044 1160498756 /nfs/dbraw/zinc/49/87/56/1160498756.db2.gz TWORAONFVREIPZ-LBPRGKRZSA-N 1 2 276.808 1.944 20 30 CDEDLO COCC#CC[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000677820751 482302924 /nfs/dbraw/zinc/30/29/24/482302924.db2.gz VKAGSAYKFFTYPW-NSHDSACASA-N 1 2 264.291 1.205 20 30 CDEDLO C=C[C@](C)(O)C(=O)NCCCCNc1cccc[nH+]1 ZINC000668298229 482359282 /nfs/dbraw/zinc/35/92/82/482359282.db2.gz RIFYGHBESFRBBP-AWEZNQCLSA-N 1 2 263.341 1.327 20 30 CDEDLO N#Cc1cccc(F)c1CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000560501288 482416265 /nfs/dbraw/zinc/41/62/65/482416265.db2.gz YDDPOFZYSIGTEM-UHFFFAOYSA-N 1 2 284.294 1.520 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC#Cc1ccccc1 ZINC000665826476 482488020 /nfs/dbraw/zinc/48/80/20/482488020.db2.gz BFPVYOWGWIJNBE-HUUCEWRRSA-N 1 2 279.343 1.692 20 30 CDEDLO COCC#CC[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000677818071 482794275 /nfs/dbraw/zinc/79/42/75/482794275.db2.gz SYLYWQNGKUWDGP-UHFFFAOYSA-N 1 2 280.318 1.737 20 30 CDEDLO C=CCCNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000665944037 482855360 /nfs/dbraw/zinc/85/53/60/482855360.db2.gz DAHQMXXTLOPXHI-UHFFFAOYSA-N 1 2 275.356 1.193 20 30 CDEDLO CCNC(=O)C[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000674249266 482976041 /nfs/dbraw/zinc/97/60/41/482976041.db2.gz LYIGXLTWHQCIMC-UHFFFAOYSA-N 1 2 264.756 1.759 20 30 CDEDLO CCNC(=O)C[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000674249266 482976045 /nfs/dbraw/zinc/97/60/45/482976045.db2.gz LYIGXLTWHQCIMC-UHFFFAOYSA-N 1 2 264.756 1.759 20 30 CDEDLO C=C(C)COCCNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000675579680 483335013 /nfs/dbraw/zinc/33/50/13/483335013.db2.gz XYABSTQDGJCTDU-AWEZNQCLSA-N 1 2 292.383 1.822 20 30 CDEDLO Cc1cc(C)c(CNC(=O)C2(C#N)CCOCC2)c[nH+]1 ZINC000397056671 1160743589 /nfs/dbraw/zinc/74/35/89/1160743589.db2.gz UJKSMZOKNKWNDC-UHFFFAOYSA-N 1 2 273.336 1.635 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001077945094 1161424038 /nfs/dbraw/zinc/42/40/38/1161424038.db2.gz XTROGKBTKLIYDT-HZPDHXFCSA-N 1 2 286.375 1.218 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001077945094 1161424043 /nfs/dbraw/zinc/42/40/43/1161424043.db2.gz XTROGKBTKLIYDT-HZPDHXFCSA-N 1 2 286.375 1.218 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCC2CC2)C1 ZINC001108144095 1161516148 /nfs/dbraw/zinc/51/61/48/1161516148.db2.gz JFPVGAIZSCHMAP-MRXNPFEDSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCCC2CC2)C1 ZINC001108144095 1161516155 /nfs/dbraw/zinc/51/61/55/1161516155.db2.gz JFPVGAIZSCHMAP-MRXNPFEDSA-N 1 2 280.412 1.960 20 30 CDEDLO CSC[C@@H]1CCCN1C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330179128 533740187 /nfs/dbraw/zinc/74/01/87/533740187.db2.gz FDJBCDRLZYTLEO-RYUDHWBXSA-N 1 2 294.424 1.939 20 30 CDEDLO C=CC[C@@](C)([NH2+][C@H]1CC[C@H](C(=O)OCC)OC1)C(=O)OC ZINC001169368446 1162006352 /nfs/dbraw/zinc/00/63/52/1162006352.db2.gz STQZBAMNPFYODT-YWPYICTPSA-N 1 2 299.367 1.195 20 30 CDEDLO O=C(Nc1nncn1C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329123377 534335132 /nfs/dbraw/zinc/33/51/32/534335132.db2.gz RSHWSDBQKGIVFK-SECBINFHSA-N 1 2 272.312 1.660 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000435015298 536444314 /nfs/dbraw/zinc/44/43/14/536444314.db2.gz GZOZOIDXZNUBQO-OAHLLOKOSA-N 1 2 299.374 1.037 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000435015298 536444317 /nfs/dbraw/zinc/44/43/17/536444317.db2.gz GZOZOIDXZNUBQO-OAHLLOKOSA-N 1 2 299.374 1.037 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+](CC(=C)C)Cc1ccc(CO)o1 ZINC000352808889 526622030 /nfs/dbraw/zinc/62/20/30/526622030.db2.gz ZZSPPCJJCVWYAR-CYBMUJFWSA-N 1 2 292.379 1.841 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](CC(=C)C)Cc1ccc(CO)o1 ZINC000352808889 526622033 /nfs/dbraw/zinc/62/20/33/526622033.db2.gz ZZSPPCJJCVWYAR-CYBMUJFWSA-N 1 2 292.379 1.841 20 30 CDEDLO C=CCC(C)(C)CNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC000352507961 527010719 /nfs/dbraw/zinc/01/07/19/527010719.db2.gz FKIQQZGJTYVFFF-CYBMUJFWSA-N 1 2 292.383 1.175 20 30 CDEDLO C=CCC(C)(C)CNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC000352507961 527010723 /nfs/dbraw/zinc/01/07/23/527010723.db2.gz FKIQQZGJTYVFFF-CYBMUJFWSA-N 1 2 292.383 1.175 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000353556570 527533881 /nfs/dbraw/zinc/53/38/81/527533881.db2.gz DBPBUNJDISYHDT-WFASDCNBSA-N 1 2 277.368 1.543 20 30 CDEDLO CCOC(=O)[C@H]([NH2+]CCC(C)(C)C#N)C1CCOCC1 ZINC000347186123 528038636 /nfs/dbraw/zinc/03/86/36/528038636.db2.gz CXQFJIUDECXIAC-CYBMUJFWSA-N 1 2 282.384 1.874 20 30 CDEDLO CO[C@@H]1C[NH+](Cc2cc(F)ccc2C#N)C[C@H]1OC ZINC000234863813 536731058 /nfs/dbraw/zinc/73/10/58/536731058.db2.gz VDTKMTULKZKPRU-ZIAGYGMSSA-N 1 2 264.300 1.543 20 30 CDEDLO COc1ccccc1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115595112 537048646 /nfs/dbraw/zinc/04/86/46/537048646.db2.gz NNJULKTYBUDKIL-MRXNPFEDSA-N 1 2 295.342 1.883 20 30 CDEDLO C[C@]1(CNC(=O)NCC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC000329322447 538559618 /nfs/dbraw/zinc/55/96/18/538559618.db2.gz FMOSGNUZZHESPK-OAHLLOKOSA-N 1 2 299.415 1.027 20 30 CDEDLO C[C@]1(CNC(=O)NCC[N@H+]2CCOCC2(C)C)CCOC1 ZINC000329322447 538559623 /nfs/dbraw/zinc/55/96/23/538559623.db2.gz FMOSGNUZZHESPK-OAHLLOKOSA-N 1 2 299.415 1.027 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)nc1 ZINC000728859576 574661017 /nfs/dbraw/zinc/66/10/17/574661017.db2.gz SBKXTDWJNGCXHM-NSHDSACASA-N 1 2 254.293 1.078 20 30 CDEDLO C#CCOc1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000731011488 575029229 /nfs/dbraw/zinc/02/92/29/575029229.db2.gz QZHVCWRDGHKJPB-UHFFFAOYSA-N 1 2 269.304 1.924 20 30 CDEDLO c1c[nH+]c(CN=Nc2nc(-c3ccccc3)no2)[nH]1 ZINC000731153340 575035469 /nfs/dbraw/zinc/03/54/69/575035469.db2.gz HPFZZJIOFGHHHF-UHFFFAOYSA-N 1 2 254.253 1.906 20 30 CDEDLO CCOCCO[NH+]=Cc1sc(N(C)C)nc1OC ZINC000774432615 575204650 /nfs/dbraw/zinc/20/46/50/575204650.db2.gz JWWPSAPXGVVEIS-UHFFFAOYSA-N 1 2 273.358 1.605 20 30 CDEDLO C[C@H]1CC(=NNCC(C)(C)S(C)(=O)=O)C[N@@H+]1C1CC1 ZINC000774486193 575208256 /nfs/dbraw/zinc/20/82/56/575208256.db2.gz XNMINGJRYXOCKD-JTQLQIEISA-N 1 2 287.429 1.012 20 30 CDEDLO C[C@H]1CC(=NNCC(C)(C)S(C)(=O)=O)C[N@H+]1C1CC1 ZINC000774486193 575208257 /nfs/dbraw/zinc/20/82/57/575208257.db2.gz XNMINGJRYXOCKD-JTQLQIEISA-N 1 2 287.429 1.012 20 30 CDEDLO N#CCCN1CC[NH+](C[C@H](O)c2cccc(F)c2)CC1 ZINC000760943339 576527502 /nfs/dbraw/zinc/52/75/02/576527502.db2.gz KOFBWNKWQQAROH-HNNXBMFYSA-N 1 2 277.343 1.390 20 30 CDEDLO N#Cc1cccn(C[N@@H+]2CCOCC3(CCCC3)C2)c1=O ZINC000774656951 575224851 /nfs/dbraw/zinc/22/48/51/575224851.db2.gz HSCGAKVFHVFQOA-UHFFFAOYSA-N 1 2 287.363 1.570 20 30 CDEDLO N#Cc1cccn(C[N@H+]2CCOCC3(CCCC3)C2)c1=O ZINC000774656951 575224852 /nfs/dbraw/zinc/22/48/52/575224852.db2.gz HSCGAKVFHVFQOA-UHFFFAOYSA-N 1 2 287.363 1.570 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)C(=O)N(CC(C)C)C1=O)C1CC1 ZINC000771642881 575600607 /nfs/dbraw/zinc/60/06/07/575600607.db2.gz VMGREHZDBTYBKB-UHFFFAOYSA-N 1 2 279.340 1.041 20 30 CDEDLO C=CC[N@H+](CN1C(=O)C(=O)N(CC(C)C)C1=O)C1CC1 ZINC000771642881 575600609 /nfs/dbraw/zinc/60/06/09/575600609.db2.gz VMGREHZDBTYBKB-UHFFFAOYSA-N 1 2 279.340 1.041 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(OC)CCCCC1 ZINC000772445990 575704512 /nfs/dbraw/zinc/70/45/12/575704512.db2.gz FJDGTURVCWMKRQ-AWEZNQCLSA-N 1 2 278.396 1.550 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(OC)CCCCC1 ZINC000772445990 575704513 /nfs/dbraw/zinc/70/45/13/575704513.db2.gz FJDGTURVCWMKRQ-AWEZNQCLSA-N 1 2 278.396 1.550 20 30 CDEDLO CON=CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000773956528 575845755 /nfs/dbraw/zinc/84/57/55/575845755.db2.gz IQUTZUJCGANFFT-MPJXLZJASA-N 1 2 287.363 1.476 20 30 CDEDLO C#CCN(C(=O)NCc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000764679282 575933629 /nfs/dbraw/zinc/93/36/29/575933629.db2.gz RLHSOLZMNGBFOO-UHFFFAOYSA-N 1 2 295.346 1.575 20 30 CDEDLO C[C@H]1CC(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)=NO1 ZINC000765370362 576011542 /nfs/dbraw/zinc/01/15/42/576011542.db2.gz WLNDQFOHOXXUKJ-NSHDSACASA-N 1 2 284.319 1.784 20 30 CDEDLO C#CCCCCCC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767590241 576208768 /nfs/dbraw/zinc/20/87/68/576208768.db2.gz YNMGXNFMAMGADX-GASCZTMLSA-N 1 2 279.380 1.977 20 30 CDEDLO C#CCCCCCC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767590241 576208769 /nfs/dbraw/zinc/20/87/69/576208769.db2.gz YNMGXNFMAMGADX-GASCZTMLSA-N 1 2 279.380 1.977 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC(=O)c1ccccc1 ZINC000769264201 576341057 /nfs/dbraw/zinc/34/10/57/576341057.db2.gz XGMONQJOFVDATI-HOCLYGCPSA-N 1 2 298.386 1.862 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC(=O)c1ccccc1 ZINC000769264201 576341059 /nfs/dbraw/zinc/34/10/59/576341059.db2.gz XGMONQJOFVDATI-HOCLYGCPSA-N 1 2 298.386 1.862 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2C[C@H](C)C[C@H]2C)c1=S ZINC000740860389 576518970 /nfs/dbraw/zinc/51/89/70/576518970.db2.gz PTULQQZNABZAKY-NXEZZACHSA-N 1 2 253.375 1.683 20 30 CDEDLO C=CCn1nnn(C[N@H+]2C[C@H](C)C[C@H]2C)c1=S ZINC000740860389 576518971 /nfs/dbraw/zinc/51/89/71/576518971.db2.gz PTULQQZNABZAKY-NXEZZACHSA-N 1 2 253.375 1.683 20 30 CDEDLO C[C@H]1CC(=NNS(=O)(=O)Cc2ccccc2)C[N@@H+]1C ZINC000761812450 576594860 /nfs/dbraw/zinc/59/48/60/576594860.db2.gz QXHXPGJITXSJDH-NSHDSACASA-N 1 2 281.381 1.186 20 30 CDEDLO C[C@H]1CC(=NNS(=O)(=O)Cc2ccccc2)C[N@H+]1C ZINC000761812450 576594861 /nfs/dbraw/zinc/59/48/61/576594861.db2.gz QXHXPGJITXSJDH-NSHDSACASA-N 1 2 281.381 1.186 20 30 CDEDLO CCn1nccc1CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761861064 576598911 /nfs/dbraw/zinc/59/89/11/576598911.db2.gz UOASPBAPSGVNDB-UHFFFAOYSA-N 1 2 282.311 1.325 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nc(C)c(C)s1 ZINC000743782870 576654533 /nfs/dbraw/zinc/65/45/33/576654533.db2.gz CSWZEBPDMFFZHQ-LBPRGKRZSA-N 1 2 277.393 1.474 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nc(C)c(C)s1 ZINC000743782870 576654536 /nfs/dbraw/zinc/65/45/36/576654536.db2.gz CSWZEBPDMFFZHQ-LBPRGKRZSA-N 1 2 277.393 1.474 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745079784 576712604 /nfs/dbraw/zinc/71/26/04/576712604.db2.gz PAVLYFLQGHXISL-KBPBESRZSA-N 1 2 294.395 1.603 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745079784 576712605 /nfs/dbraw/zinc/71/26/05/576712605.db2.gz PAVLYFLQGHXISL-KBPBESRZSA-N 1 2 294.395 1.603 20 30 CDEDLO N#Cc1ccc(O)c(NC(=O)CCCn2cc[nH+]c2)c1 ZINC000748412223 576911377 /nfs/dbraw/zinc/91/13/77/576911377.db2.gz NDOWVNRCYXZRAO-UHFFFAOYSA-N 1 2 270.292 1.879 20 30 CDEDLO Cc1[nH]c[nH+]c1CN=Nc1ccccc1S(C)(=O)=O ZINC000755726879 576957528 /nfs/dbraw/zinc/95/75/28/576957528.db2.gz PUBNQHFELNQIKT-UHFFFAOYSA-N 1 2 278.337 1.568 20 30 CDEDLO C[S@@](=O)CC[NH+]1CCN(CCCC(C)(C)C#N)CC1 ZINC000755951024 576970823 /nfs/dbraw/zinc/97/08/23/576970823.db2.gz ZMCKUGRPOBVZOU-LJQANCHMSA-N 1 2 285.457 1.312 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCS1 ZINC000756979773 577018380 /nfs/dbraw/zinc/01/83/80/577018380.db2.gz HEUJTJBSWIMVFO-NEPJUHHUSA-N 1 2 252.383 1.096 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCS1 ZINC000756979773 577018381 /nfs/dbraw/zinc/01/83/81/577018381.db2.gz HEUJTJBSWIMVFO-NEPJUHHUSA-N 1 2 252.383 1.096 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCSC(C)(C)C1 ZINC000751418415 577040097 /nfs/dbraw/zinc/04/00/97/577040097.db2.gz YASINAWRFLKEBY-LBPRGKRZSA-N 1 2 266.410 1.438 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCSC(C)(C)C1 ZINC000751418415 577040098 /nfs/dbraw/zinc/04/00/98/577040098.db2.gz YASINAWRFLKEBY-LBPRGKRZSA-N 1 2 266.410 1.438 20 30 CDEDLO COc1ccc2c(c1)C[N@@H+](Cn1cccc(C#N)c1=O)CC2 ZINC000758192642 577079401 /nfs/dbraw/zinc/07/94/01/577079401.db2.gz MYAWNKWMGKTEBE-UHFFFAOYSA-N 1 2 295.342 1.744 20 30 CDEDLO COc1ccc2c(c1)C[N@H+](Cn1cccc(C#N)c1=O)CC2 ZINC000758192642 577079403 /nfs/dbraw/zinc/07/94/03/577079403.db2.gz MYAWNKWMGKTEBE-UHFFFAOYSA-N 1 2 295.342 1.744 20 30 CDEDLO C#Cc1ccc(C(=O)Nc2cc(N(C)C)cc[nH+]2)nc1 ZINC000753003471 577139370 /nfs/dbraw/zinc/13/93/70/577139370.db2.gz GFRRSLBSUMIFDZ-UHFFFAOYSA-N 1 2 266.304 1.776 20 30 CDEDLO C#C[C@@H](CC)NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000753057598 577142369 /nfs/dbraw/zinc/14/23/69/577142369.db2.gz BACUDJXBISJPFQ-ZDUSSCGKSA-N 1 2 283.335 1.478 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001035475775 682337016 /nfs/dbraw/zinc/33/70/16/682337016.db2.gz SLDUBGLQCVWLGO-ZIAGYGMSSA-N 1 2 280.412 1.816 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cccc(C)n2)C1 ZINC000949692458 612991965 /nfs/dbraw/zinc/99/19/65/612991965.db2.gz SDNIHPMBQWSCOG-UHFFFAOYSA-N 1 2 271.364 1.560 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccoc2C)C1 ZINC000949648682 612992553 /nfs/dbraw/zinc/99/25/53/612992553.db2.gz JDWYFZLLCJPTMD-UHFFFAOYSA-N 1 2 260.337 1.758 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccnn2C(F)F)C1 ZINC000950422243 612992557 /nfs/dbraw/zinc/99/25/57/612992557.db2.gz ZFGUKXUBRCYRLD-UHFFFAOYSA-N 1 2 296.321 1.448 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2c(C)onc2C2CC2)CC1 ZINC000981631543 613156380 /nfs/dbraw/zinc/15/63/80/613156380.db2.gz MYUPDWCDIASJST-UHFFFAOYSA-N 1 2 287.363 1.642 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2c(C)onc2C2CC2)CC1 ZINC000981631543 613156382 /nfs/dbraw/zinc/15/63/82/613156382.db2.gz MYUPDWCDIASJST-UHFFFAOYSA-N 1 2 287.363 1.642 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2c(C)noc2CCC)CC1 ZINC000981148318 613156532 /nfs/dbraw/zinc/15/65/32/613156532.db2.gz HGLBSRWOGRCAGX-UHFFFAOYSA-N 1 2 289.379 1.717 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2c(C)noc2CCC)CC1 ZINC000981148318 613156533 /nfs/dbraw/zinc/15/65/33/613156533.db2.gz HGLBSRWOGRCAGX-UHFFFAOYSA-N 1 2 289.379 1.717 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2ccc(COC)o2)CC1 ZINC000981586267 613157684 /nfs/dbraw/zinc/15/76/84/613157684.db2.gz CGXMOYYHPZTNDZ-UHFFFAOYSA-N 1 2 276.336 1.207 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2ccc(COC)o2)CC1 ZINC000981586267 613157685 /nfs/dbraw/zinc/15/76/85/613157685.db2.gz CGXMOYYHPZTNDZ-UHFFFAOYSA-N 1 2 276.336 1.207 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2sc(Cl)nc2C)CC1 ZINC000981246708 613160351 /nfs/dbraw/zinc/16/03/51/613160351.db2.gz FGKUXHFQTMUVOF-UHFFFAOYSA-N 1 2 297.811 1.886 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2sc(Cl)nc2C)CC1 ZINC000981246708 613160352 /nfs/dbraw/zinc/16/03/52/613160352.db2.gz FGKUXHFQTMUVOF-UHFFFAOYSA-N 1 2 297.811 1.886 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)C3CC3)C2)C1 ZINC000972510631 613211845 /nfs/dbraw/zinc/21/18/45/613211845.db2.gz CBCAYPYMPWJWHD-QGZVFWFLSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)C3CC3)C2)C1 ZINC000972510631 613211847 /nfs/dbraw/zinc/21/18/47/613211847.db2.gz CBCAYPYMPWJWHD-QGZVFWFLSA-N 1 2 290.407 1.359 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000969569891 613242010 /nfs/dbraw/zinc/24/20/10/613242010.db2.gz DOUSDIUIVADJRG-LLVKDONJSA-N 1 2 294.424 1.831 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(OC)ccn2)C1 ZINC000951120486 613296394 /nfs/dbraw/zinc/29/63/94/613296394.db2.gz RIBOYZGIVUQVKZ-UHFFFAOYSA-N 1 2 289.379 1.813 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2c[nH]nc2C2CC2)CC1 ZINC000957041968 613319957 /nfs/dbraw/zinc/31/99/57/613319957.db2.gz IQYOGRFPGXVMHW-UHFFFAOYSA-N 1 2 274.368 1.621 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2c[nH]nc2C)C1 ZINC000970238949 613371732 /nfs/dbraw/zinc/37/17/32/613371732.db2.gz GIMULIHIRDCCAK-SECBINFHSA-N 1 2 282.775 1.521 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC000969908883 613372195 /nfs/dbraw/zinc/37/21/95/613372195.db2.gz WZXYRHCXFNSQNF-QMMMGPOBSA-N 1 2 298.774 1.226 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2n[nH]cc2F)C1 ZINC000970375261 613372525 /nfs/dbraw/zinc/37/25/25/613372525.db2.gz CNOVOZSGZFYLDM-QMMMGPOBSA-N 1 2 286.738 1.351 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2cc[nH]n2)C(C)(C)C1 ZINC000972982714 613379919 /nfs/dbraw/zinc/37/99/19/613379919.db2.gz MXQFPJNVKKFEHY-GFCCVEGCSA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2cc[nH]n2)C(C)(C)C1 ZINC000972982714 613379920 /nfs/dbraw/zinc/37/99/20/613379920.db2.gz MXQFPJNVKKFEHY-GFCCVEGCSA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cccnn2)C(C)(C)C1 ZINC000977374901 613379926 /nfs/dbraw/zinc/37/99/26/613379926.db2.gz CDBFQJFKFPDHGT-GFCCVEGCSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cccnn2)C(C)(C)C1 ZINC000977374901 613379927 /nfs/dbraw/zinc/37/99/27/613379927.db2.gz CDBFQJFKFPDHGT-GFCCVEGCSA-N 1 2 294.786 1.669 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2ccon2)C1 ZINC000972078450 613439379 /nfs/dbraw/zinc/43/93/79/613439379.db2.gz HLOIIFWRQHJPQE-ZDUSSCGKSA-N 1 2 277.368 1.920 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccon2)C1 ZINC000972078450 613439381 /nfs/dbraw/zinc/43/93/81/613439381.db2.gz HLOIIFWRQHJPQE-ZDUSSCGKSA-N 1 2 277.368 1.920 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc(OC)cc2F)CC1 ZINC000957034244 613709223 /nfs/dbraw/zinc/70/92/23/613709223.db2.gz CMIMXODQWLUUSB-UHFFFAOYSA-N 1 2 292.354 1.707 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)c2c(C)n[nH]c2C)CC1 ZINC000951786662 613710453 /nfs/dbraw/zinc/71/04/53/613710453.db2.gz HQLMGDVLTGKWGO-NSHDSACASA-N 1 2 276.384 1.460 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2Cc3ccccc32)CC1 ZINC000949947433 613711852 /nfs/dbraw/zinc/71/18/52/613711852.db2.gz HQVWOGQPIQUBIM-OAHLLOKOSA-N 1 2 256.349 1.657 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc(C(C)C)nc2C)CC1 ZINC000951361150 613718208 /nfs/dbraw/zinc/71/82/08/613718208.db2.gz VAYHPOIDHSMITH-UHFFFAOYSA-N 1 2 288.395 1.852 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cocc3C)C2)C1 ZINC000972493704 613724557 /nfs/dbraw/zinc/72/45/57/613724557.db2.gz GBXXQCNGRVVILR-INIZCTEOSA-N 1 2 290.363 1.691 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cocc3C)C2)C1 ZINC000972493704 613724560 /nfs/dbraw/zinc/72/45/60/613724560.db2.gz GBXXQCNGRVVILR-INIZCTEOSA-N 1 2 290.363 1.691 20 30 CDEDLO C[N@@H+](Cc1ccon1)C[C@H]1CCCN1C(=O)C#CC1CC1 ZINC000960614041 616087554 /nfs/dbraw/zinc/08/75/54/616087554.db2.gz PYEKJKMLKRZBMQ-OAHLLOKOSA-N 1 2 287.363 1.511 20 30 CDEDLO C[N@H+](Cc1ccon1)C[C@H]1CCCN1C(=O)C#CC1CC1 ZINC000960614041 616087555 /nfs/dbraw/zinc/08/75/55/616087555.db2.gz PYEKJKMLKRZBMQ-OAHLLOKOSA-N 1 2 287.363 1.511 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894059916 618321046 /nfs/dbraw/zinc/32/10/46/618321046.db2.gz MYEQAIDETOBNSE-VIFPVBQESA-N 1 2 264.281 1.763 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894059916 618321061 /nfs/dbraw/zinc/32/10/61/618321061.db2.gz MYEQAIDETOBNSE-VIFPVBQESA-N 1 2 264.281 1.763 20 30 CDEDLO CN(C)C(=O)c1cccc(C[NH2+]CC2(C#N)CC2)c1 ZINC000894202850 618695114 /nfs/dbraw/zinc/69/51/14/618695114.db2.gz AAIXSRYVVFQAKS-UHFFFAOYSA-N 1 2 257.337 1.782 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2cc(F)ccc2F)CCCN1O ZINC000895166586 619397468 /nfs/dbraw/zinc/39/74/68/619397468.db2.gz SAVBBOWOKYLZKL-LLVKDONJSA-N 1 2 256.252 1.435 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc1 ZINC000896042399 619961254 /nfs/dbraw/zinc/96/12/54/619961254.db2.gz HPUUVLLEGWUWJV-ZDUSSCGKSA-N 1 2 272.348 1.118 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc1 ZINC000896042399 619961256 /nfs/dbraw/zinc/96/12/56/619961256.db2.gz HPUUVLLEGWUWJV-ZDUSSCGKSA-N 1 2 272.348 1.118 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000896528195 620123863 /nfs/dbraw/zinc/12/38/63/620123863.db2.gz HHZUGKKHMXJRHG-DZGCQCFKSA-N 1 2 279.428 1.483 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC000896528195 620123864 /nfs/dbraw/zinc/12/38/64/620123864.db2.gz HHZUGKKHMXJRHG-DZGCQCFKSA-N 1 2 279.428 1.483 20 30 CDEDLO C#CCOc1ccc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)cc1 ZINC000896919617 620308983 /nfs/dbraw/zinc/30/89/83/620308983.db2.gz VBBHEFDUZBWFFI-UHFFFAOYSA-N 1 2 283.331 1.969 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CC(N3CCCC3=O)C2)cc1 ZINC000897785921 621122181 /nfs/dbraw/zinc/12/21/81/621122181.db2.gz BRWQTUAAQPNDHP-CYBMUJFWSA-N 1 2 299.374 1.784 20 30 CDEDLO C=CCONC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897922496 621226996 /nfs/dbraw/zinc/22/69/96/621226996.db2.gz UTGLUXKBFPHKRJ-LLVKDONJSA-N 1 2 250.302 1.024 20 30 CDEDLO C=CCONC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897922496 621227001 /nfs/dbraw/zinc/22/70/01/621227001.db2.gz UTGLUXKBFPHKRJ-LLVKDONJSA-N 1 2 250.302 1.024 20 30 CDEDLO CC[C@@H](C#N)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000900471077 623110132 /nfs/dbraw/zinc/11/01/32/623110132.db2.gz GDKFPFHXQVEKSD-CABZTGNLSA-N 1 2 261.329 1.208 20 30 CDEDLO CC[C@@H](C#N)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000900471077 623110146 /nfs/dbraw/zinc/11/01/46/623110146.db2.gz GDKFPFHXQVEKSD-CABZTGNLSA-N 1 2 261.329 1.208 20 30 CDEDLO C#C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)[C@H]1CCCO1 ZINC000907485907 627686774 /nfs/dbraw/zinc/68/67/74/627686774.db2.gz GVRRBIAPPRNPKT-UONOGXRCSA-N 1 2 272.348 1.917 20 30 CDEDLO C#C[C@H]([NH2+][C@@H](C)c1cc2n(n1)CCC2)[C@@H]1CCCO1 ZINC000840745329 630686642 /nfs/dbraw/zinc/68/66/42/630686642.db2.gz DNQVIOLCLFRHGQ-WHOFXGATSA-N 1 2 259.353 1.661 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccsc1C#N ZINC000913808915 630790408 /nfs/dbraw/zinc/79/04/08/630790408.db2.gz JBMHEWIPBUBKIF-NSHDSACASA-N 1 2 293.392 1.460 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccsc1C#N ZINC000913808915 630790416 /nfs/dbraw/zinc/79/04/16/630790416.db2.gz JBMHEWIPBUBKIF-NSHDSACASA-N 1 2 293.392 1.460 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(CC)cc2)C1 ZINC001031338611 682650937 /nfs/dbraw/zinc/65/09/37/682650937.db2.gz MHKNCMQFMAORPS-UHFFFAOYSA-N 1 2 256.349 1.686 20 30 CDEDLO C=C[C@H](CC)CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000935934320 683473707 /nfs/dbraw/zinc/47/37/07/683473707.db2.gz QIVWXJHPRFPHLP-KFWWJZLASA-N 1 2 280.412 1.910 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2nccnc2c1 ZINC001032771549 679717815 /nfs/dbraw/zinc/71/78/15/679717815.db2.gz USLHGDHKLJZUPU-KBPBESRZSA-N 1 2 292.342 1.162 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2nccnc2c1 ZINC001032771549 679717817 /nfs/dbraw/zinc/71/78/17/679717817.db2.gz USLHGDHKLJZUPU-KBPBESRZSA-N 1 2 292.342 1.162 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC23CC3)C1 ZINC001035414591 679729164 /nfs/dbraw/zinc/72/91/64/679729164.db2.gz BDKBJKCYQPQUCO-HUUCEWRRSA-N 1 2 292.423 1.960 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC23CC3)C1 ZINC001035414591 679729168 /nfs/dbraw/zinc/72/91/68/679729168.db2.gz BDKBJKCYQPQUCO-HUUCEWRRSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1(CCC)CCC1 ZINC000884173185 684285612 /nfs/dbraw/zinc/28/56/12/684285612.db2.gz PBQZYGPGSRMUAB-LBPRGKRZSA-N 1 2 282.384 1.520 20 30 CDEDLO Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000829976047 679762242 /nfs/dbraw/zinc/76/22/42/679762242.db2.gz VUCBPFIEGRYHRW-LBPRGKRZSA-N 1 2 268.748 1.232 20 30 CDEDLO Cc1nn(C)c(Cl)c1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000829976047 679762245 /nfs/dbraw/zinc/76/22/45/679762245.db2.gz VUCBPFIEGRYHRW-LBPRGKRZSA-N 1 2 268.748 1.232 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c(C3CCC3)cnn2C)C1 ZINC001030342347 679749238 /nfs/dbraw/zinc/74/92/38/679749238.db2.gz HHBFVCGOQPBJPJ-UHFFFAOYSA-N 1 2 288.395 1.678 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1coc2ccccc12 ZINC001039079632 679767521 /nfs/dbraw/zinc/76/75/21/679767521.db2.gz YZBYQZOFYAGFOK-LBPRGKRZSA-N 1 2 268.316 1.870 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1coc2ccccc12 ZINC001039079632 679767522 /nfs/dbraw/zinc/76/75/22/679767522.db2.gz YZBYQZOFYAGFOK-LBPRGKRZSA-N 1 2 268.316 1.870 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)NCc1ccc(C#N)cn1 ZINC000780652241 679771178 /nfs/dbraw/zinc/77/11/78/679771178.db2.gz WSBKOODYUKEKLT-UHFFFAOYSA-N 1 2 298.350 1.381 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000791360206 679774175 /nfs/dbraw/zinc/77/41/75/679774175.db2.gz OORBZNCWHHGYPU-INIZCTEOSA-N 1 2 285.347 1.816 20 30 CDEDLO C#CCOCC[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000851714053 679777269 /nfs/dbraw/zinc/77/72/69/679777269.db2.gz LULYEHAPFQNSFB-UHFFFAOYSA-N 1 2 272.348 1.094 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1C=CCCC1 ZINC001032471192 679782558 /nfs/dbraw/zinc/78/25/58/679782558.db2.gz OMNNOIDWRRRPKA-KKUMJFAQSA-N 1 2 258.365 1.651 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1C=CCCC1 ZINC001032471192 679782560 /nfs/dbraw/zinc/78/25/60/679782560.db2.gz OMNNOIDWRRRPKA-KKUMJFAQSA-N 1 2 258.365 1.651 20 30 CDEDLO COCC#CC[N@H+](C)CC(=O)NCCC1=CCCCC1 ZINC000933357676 679787528 /nfs/dbraw/zinc/78/75/28/679787528.db2.gz MLUPFROAOTVCGW-UHFFFAOYSA-N 1 2 278.396 1.575 20 30 CDEDLO COCC#CC[N@@H+](C)CC(=O)NCCC1=CCCCC1 ZINC000933357676 679787530 /nfs/dbraw/zinc/78/75/30/679787530.db2.gz MLUPFROAOTVCGW-UHFFFAOYSA-N 1 2 278.396 1.575 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc[nH]c3)C[C@@H]21 ZINC001074244112 679790232 /nfs/dbraw/zinc/79/02/32/679790232.db2.gz DJZKKQDFJLIMTL-GJZGRUSLSA-N 1 2 289.379 1.506 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3cc[nH]c3)C[C@@H]21 ZINC001074244112 679790235 /nfs/dbraw/zinc/79/02/35/679790235.db2.gz DJZKKQDFJLIMTL-GJZGRUSLSA-N 1 2 289.379 1.506 20 30 CDEDLO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)cc1 ZINC001015809863 679791836 /nfs/dbraw/zinc/79/18/36/679791836.db2.gz VZCPJGUULIIAKW-CQSZACIVSA-N 1 2 290.338 1.472 20 30 CDEDLO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](CCF)C2)cc1 ZINC001015809863 679791837 /nfs/dbraw/zinc/79/18/37/679791837.db2.gz VZCPJGUULIIAKW-CQSZACIVSA-N 1 2 290.338 1.472 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccoc1C ZINC001050812654 679800370 /nfs/dbraw/zinc/80/03/70/679800370.db2.gz MVVYQUSYAQECLJ-ZDUSSCGKSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccoc1C ZINC001050812654 679800372 /nfs/dbraw/zinc/80/03/72/679800372.db2.gz MVVYQUSYAQECLJ-ZDUSSCGKSA-N 1 2 278.352 1.595 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ncc[nH]1 ZINC001017513676 679811122 /nfs/dbraw/zinc/81/11/22/679811122.db2.gz NPRLXICBKVFVRZ-OKILXGFUSA-N 1 2 286.379 1.041 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ncc[nH]1 ZINC001017513676 679811124 /nfs/dbraw/zinc/81/11/24/679811124.db2.gz NPRLXICBKVFVRZ-OKILXGFUSA-N 1 2 286.379 1.041 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2csc(Cl)n2)CC1 ZINC000989424721 679802803 /nfs/dbraw/zinc/80/28/03/679802803.db2.gz JIZXMUICZIKCTM-UHFFFAOYSA-N 1 2 283.784 1.578 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2csc(Cl)n2)CC1 ZINC000989424721 679802804 /nfs/dbraw/zinc/80/28/04/679802804.db2.gz JIZXMUICZIKCTM-UHFFFAOYSA-N 1 2 283.784 1.578 20 30 CDEDLO C#C[C@@H](NC(=O)[C@H](C(CC)CC)[NH+]1CCOCC1)C(C)C ZINC000799043697 679813326 /nfs/dbraw/zinc/81/33/26/679813326.db2.gz BKWTYMGSCOISGE-CVEARBPZSA-N 1 2 294.439 1.897 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CC3CCC3)C[C@@H]21 ZINC001074202444 679813979 /nfs/dbraw/zinc/81/39/79/679813979.db2.gz YFMZTXYYZAZTMP-HOTGVXAUSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC3CCC3)C[C@@H]21 ZINC001074202444 679813980 /nfs/dbraw/zinc/81/39/80/679813980.db2.gz YFMZTXYYZAZTMP-HOTGVXAUSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2cc(F)ccc21 ZINC001038517500 679814782 /nfs/dbraw/zinc/81/47/82/679814782.db2.gz NFKZYJJHLREHQD-GDBMZVCRSA-N 1 2 286.350 1.679 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2cc(F)ccc21 ZINC001038517500 679814783 /nfs/dbraw/zinc/81/47/83/679814783.db2.gz NFKZYJJHLREHQD-GDBMZVCRSA-N 1 2 286.350 1.679 20 30 CDEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)SC)C2)CC1 ZINC001051989456 679816462 /nfs/dbraw/zinc/81/64/62/679816462.db2.gz GRAGEIXTJCYCDG-KBPBESRZSA-N 1 2 297.468 1.142 20 30 CDEDLO CC1(C)C[C@@](C)([NH2+]CCCSCC#N)C(=O)O1 ZINC000930874375 679819976 /nfs/dbraw/zinc/81/99/76/679819976.db2.gz JTWHCQUQZVPFLD-GFCCVEGCSA-N 1 2 256.371 1.707 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(C)cs2)C1 ZINC000923556024 679820567 /nfs/dbraw/zinc/82/05/67/679820567.db2.gz BEWRXRMWPVYZJX-LBPRGKRZSA-N 1 2 262.378 1.884 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)cs2)C1 ZINC000923556024 679820569 /nfs/dbraw/zinc/82/05/69/679820569.db2.gz 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ZINC001000669348 679834052 /nfs/dbraw/zinc/83/40/52/679834052.db2.gz JOUVPAYFDPELGI-VXGBXAGGSA-N 1 2 299.758 1.152 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(F)c[nH]1)O2 ZINC001053628879 679837827 /nfs/dbraw/zinc/83/78/27/679837827.db2.gz ABXOOUDEZTYSQM-LBPRGKRZSA-N 1 2 293.342 1.303 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(C)c(C)c1 ZINC000884044436 679838827 /nfs/dbraw/zinc/83/88/27/679838827.db2.gz ICRLBFGMTXNJPV-ZDUSSCGKSA-N 1 2 276.336 1.689 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(OCC)nc1 ZINC001038323355 679846256 /nfs/dbraw/zinc/84/62/56/679846256.db2.gz WBDIKZPMTUGNPU-AWEZNQCLSA-N 1 2 287.363 1.308 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OCC)nc1 ZINC001038323355 679846257 /nfs/dbraw/zinc/84/62/57/679846257.db2.gz WBDIKZPMTUGNPU-AWEZNQCLSA-N 1 2 287.363 1.308 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2ccon2)CC[C@@H]1C ZINC001071381144 679850210 /nfs/dbraw/zinc/85/02/10/679850210.db2.gz JRCHIPUMTUAOPY-WCQYABFASA-N 1 2 297.786 1.939 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2ccon2)CC[C@@H]1C ZINC001071381144 679850211 /nfs/dbraw/zinc/85/02/11/679850211.db2.gz JRCHIPUMTUAOPY-WCQYABFASA-N 1 2 297.786 1.939 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](CC)CC1 ZINC000884145047 679852337 /nfs/dbraw/zinc/85/23/37/679852337.db2.gz APYOAMZUETZNQU-STQMWFEESA-N 1 2 282.384 1.472 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccnn2CC)C1 ZINC001042652496 679868756 /nfs/dbraw/zinc/86/87/56/679868756.db2.gz LPHOJGJOHNONFU-UHFFFAOYSA-N 1 2 262.357 1.235 20 30 CDEDLO CCC[C@@](C)([NH2+]C[C@H](O)CC1(C#N)CCC1)C(=O)OC ZINC000886014462 679869172 /nfs/dbraw/zinc/86/91/72/679869172.db2.gz HXCVEKRRPFOGFS-TZMCWYRMSA-N 1 2 282.384 1.753 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CC)C[C@H](C)O2 ZINC001071112241 679870375 /nfs/dbraw/zinc/87/03/75/679870375.db2.gz CBENWOMDWBIIJM-GXTWGEPZSA-N 1 2 286.803 1.841 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC)C[C@H](C)O2 ZINC001071112241 679870376 /nfs/dbraw/zinc/87/03/76/679870376.db2.gz CBENWOMDWBIIJM-GXTWGEPZSA-N 1 2 286.803 1.841 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)sn1 ZINC001032376984 681812796 /nfs/dbraw/zinc/81/27/96/681812796.db2.gz BOXQXECBHHYLMF-RYUDHWBXSA-N 1 2 275.377 1.374 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)sn1 ZINC001032376984 681812797 /nfs/dbraw/zinc/81/27/97/681812797.db2.gz BOXQXECBHHYLMF-RYUDHWBXSA-N 1 2 275.377 1.374 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCO[C@H](C)C2)C1 ZINC001044095317 681936841 /nfs/dbraw/zinc/93/68/41/681936841.db2.gz FQPDHPSPOHQLCN-OLZOCXBDSA-N 1 2 266.385 1.520 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc(C2CC2)c[nH]1 ZINC000807660630 682099480 /nfs/dbraw/zinc/09/94/80/682099480.db2.gz DAZZXPOFBWPJAW-LBPRGKRZSA-N 1 2 258.325 1.323 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc(C2CC2)c[nH]1 ZINC000807660630 682099486 /nfs/dbraw/zinc/09/94/86/682099486.db2.gz DAZZXPOFBWPJAW-LBPRGKRZSA-N 1 2 258.325 1.323 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1N(C)C(C)=O ZINC001038566643 681193390 /nfs/dbraw/zinc/19/33/90/681193390.db2.gz GNARUDAFIAHOSR-CQSZACIVSA-N 1 2 299.374 1.107 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1N(C)C(C)=O ZINC001038566643 681193407 /nfs/dbraw/zinc/19/34/07/681193407.db2.gz GNARUDAFIAHOSR-CQSZACIVSA-N 1 2 299.374 1.107 20 30 CDEDLO COC(=O)C[N@H+](C[C@H](O)CC1(C#N)CCC1)C1CC1 ZINC000886035323 681220933 /nfs/dbraw/zinc/22/09/33/681220933.db2.gz LOPBVCLFHJLDDU-GFCCVEGCSA-N 1 2 266.341 1.069 20 30 CDEDLO COC(=O)C[N@@H+](C[C@H](O)CC1(C#N)CCC1)C1CC1 ZINC000886035323 681220944 /nfs/dbraw/zinc/22/09/44/681220944.db2.gz LOPBVCLFHJLDDU-GFCCVEGCSA-N 1 2 266.341 1.069 20 30 CDEDLO C#Cc1ccccc1CC(=O)N(C)C1C[NH+](CC=C)C1 ZINC001044234007 681239561 /nfs/dbraw/zinc/23/95/61/681239561.db2.gz RHCGDIKYJQGGGQ-UHFFFAOYSA-N 1 2 268.360 1.539 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(F)C(F)(F)F ZINC001049480189 681504231 /nfs/dbraw/zinc/50/42/31/681504231.db2.gz DWUFIEKBAFBPRE-HBNTYKKESA-N 1 2 292.276 1.585 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(F)C(F)(F)F ZINC001049480189 681504239 /nfs/dbraw/zinc/50/42/39/681504239.db2.gz DWUFIEKBAFBPRE-HBNTYKKESA-N 1 2 292.276 1.585 20 30 CDEDLO C=C(C)C[N@H+](C)CN1C(=O)C[C@@]2(CCSC2)C1=O ZINC000777959529 681518598 /nfs/dbraw/zinc/51/85/98/681518598.db2.gz OLYLCJBQKBBVPP-CYBMUJFWSA-N 1 2 268.382 1.334 20 30 CDEDLO C=C(C)C[N@@H+](C)CN1C(=O)C[C@@]2(CCSC2)C1=O ZINC000777959529 681518604 /nfs/dbraw/zinc/51/86/04/681518604.db2.gz OLYLCJBQKBBVPP-CYBMUJFWSA-N 1 2 268.382 1.334 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCCO2)C1 ZINC001033016245 681543640 /nfs/dbraw/zinc/54/36/40/681543640.db2.gz RDNNTIXBVLAOBD-CHWSQXEVSA-N 1 2 286.803 1.841 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCCO2)C1 ZINC001033016245 681543646 /nfs/dbraw/zinc/54/36/46/681543646.db2.gz RDNNTIXBVLAOBD-CHWSQXEVSA-N 1 2 286.803 1.841 20 30 CDEDLO C=C(C)C[C@@H](CO)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000883006772 681560825 /nfs/dbraw/zinc/56/08/25/681560825.db2.gz BWMYTDXYUFCLSE-LBPRGKRZSA-N 1 2 262.357 1.816 20 30 CDEDLO C=C(C)C[C@@H](CO)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000883006772 681560832 /nfs/dbraw/zinc/56/08/32/681560832.db2.gz BWMYTDXYUFCLSE-LBPRGKRZSA-N 1 2 262.357 1.816 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)c1cccc2[nH+]ccn21 ZINC000837082175 681569665 /nfs/dbraw/zinc/56/96/65/681569665.db2.gz MWFKIHQVOPDKEA-LLVKDONJSA-N 1 2 259.309 1.391 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2[nH]c(C)cc2C)C1 ZINC001035417072 681581922 /nfs/dbraw/zinc/58/19/22/681581922.db2.gz SDXUHRAWFQQZIF-AWEZNQCLSA-N 1 2 291.395 1.638 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2[nH]c(C)cc2C)C1 ZINC001035417072 681581924 /nfs/dbraw/zinc/58/19/24/681581924.db2.gz SDXUHRAWFQQZIF-AWEZNQCLSA-N 1 2 291.395 1.638 20 30 CDEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cn[nH]c1 ZINC001010305528 681650957 /nfs/dbraw/zinc/65/09/57/681650957.db2.gz XRGXPQKFASDDDG-MRXNPFEDSA-N 1 2 294.358 1.266 20 30 CDEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cn[nH]c1 ZINC001010305528 681650971 /nfs/dbraw/zinc/65/09/71/681650971.db2.gz XRGXPQKFASDDDG-MRXNPFEDSA-N 1 2 294.358 1.266 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2ccc(C)n2)C1 ZINC001015718767 681706517 /nfs/dbraw/zinc/70/65/17/681706517.db2.gz XRXNFFWJEXPNAU-LBPRGKRZSA-N 1 2 282.775 1.135 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2ccc(C)n2)C1 ZINC001015718767 681706533 /nfs/dbraw/zinc/70/65/33/681706533.db2.gz XRXNFFWJEXPNAU-LBPRGKRZSA-N 1 2 282.775 1.135 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1CCC(C)(C)CC1 ZINC000884140714 681723616 /nfs/dbraw/zinc/72/36/16/681723616.db2.gz BPGCQQLENPXBEH-LBPRGKRZSA-N 1 2 282.384 1.518 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccc3c(c2)N(C)CC3)C1 ZINC001044248446 681731540 /nfs/dbraw/zinc/73/15/40/681731540.db2.gz LGTQUIOEACZATD-UHFFFAOYSA-N 1 2 285.391 1.621 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](C[C@H](O)COCc2cccs2)C1 ZINC000932163016 681756658 /nfs/dbraw/zinc/75/66/58/681756658.db2.gz SJASUVVJWQEAAQ-STQMWFEESA-N 1 2 280.393 1.861 20 30 CDEDLO N#C[C@@H]1CCC[N@H+](C[C@H](O)COCc2cccs2)C1 ZINC000932163016 681756672 /nfs/dbraw/zinc/75/66/72/681756672.db2.gz SJASUVVJWQEAAQ-STQMWFEESA-N 1 2 280.393 1.861 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2OCc3ccccc32)C1 ZINC001031323196 681804221 /nfs/dbraw/zinc/80/42/21/681804221.db2.gz WLRNHMUCKGLYJE-HNNXBMFYSA-N 1 2 272.348 1.634 20 30 CDEDLO COC(=O)[C@H]([NH2+]CCO[C@H](C)C#N)[C@@H]1CCC[C@@H](OC)C1 ZINC000844447197 681811613 /nfs/dbraw/zinc/81/16/13/681811613.db2.gz QEJWKGJYTGTYCH-AAVRWANBSA-N 1 2 298.383 1.251 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2coc(C)c2)C1 ZINC001035347469 681816232 /nfs/dbraw/zinc/81/62/32/681816232.db2.gz UCQKGFYHNPVAIA-CQSZACIVSA-N 1 2 278.352 1.595 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2coc(C)c2)C1 ZINC001035347469 681816235 /nfs/dbraw/zinc/81/62/35/681816235.db2.gz UCQKGFYHNPVAIA-CQSZACIVSA-N 1 2 278.352 1.595 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)c(C)cc1F ZINC001038383522 681825776 /nfs/dbraw/zinc/82/57/76/681825776.db2.gz HXMHNNJKOYKIKN-LLVKDONJSA-N 1 2 278.302 1.711 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)c(C)cc1F ZINC001038383522 681825778 /nfs/dbraw/zinc/82/57/78/681825778.db2.gz HXMHNNJKOYKIKN-LLVKDONJSA-N 1 2 278.302 1.711 20 30 CDEDLO CC(C)C#CC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000821221496 681847642 /nfs/dbraw/zinc/84/76/42/681847642.db2.gz JCDKVEKLOXJGMW-UHFFFAOYSA-N 1 2 259.353 1.538 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ncc[nH]1 ZINC001054041846 681857321 /nfs/dbraw/zinc/85/73/21/681857321.db2.gz VJNAKRTYGZUGBI-OAHLLOKOSA-N 1 2 294.358 1.200 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ncc[nH]1 ZINC001054041846 681857322 /nfs/dbraw/zinc/85/73/22/681857322.db2.gz VJNAKRTYGZUGBI-OAHLLOKOSA-N 1 2 294.358 1.200 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(-c2cccnc2)on1 ZINC001038655498 681876128 /nfs/dbraw/zinc/87/61/28/681876128.db2.gz ZUKBNOGIBCERMI-ZDUSSCGKSA-N 1 2 298.346 1.727 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc(-c2cccnc2)on1 ZINC001038655498 681876131 /nfs/dbraw/zinc/87/61/31/681876131.db2.gz ZUKBNOGIBCERMI-ZDUSSCGKSA-N 1 2 298.346 1.727 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC[C@@H](C)O1)O2 ZINC001053664211 681892668 /nfs/dbraw/zinc/89/26/68/681892668.db2.gz NWSRVAYTWYYGPG-MGPQQGTHSA-N 1 2 294.395 1.090 20 30 CDEDLO N#Cc1ccc(O)c(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)c1 ZINC000787476614 681894155 /nfs/dbraw/zinc/89/41/55/681894155.db2.gz XMWRECWKJLBYSV-CYBMUJFWSA-N 1 2 271.320 1.829 20 30 CDEDLO N#Cc1ccc(O)c(NC(=O)[C@H]2CCC[N@H+]2C2CC2)c1 ZINC000787476614 681894157 /nfs/dbraw/zinc/89/41/57/681894157.db2.gz XMWRECWKJLBYSV-CYBMUJFWSA-N 1 2 271.320 1.829 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc3ncccc3s2)C1 ZINC001015504574 681895701 /nfs/dbraw/zinc/89/57/01/681895701.db2.gz PKJWOSKVGXZYDE-LLVKDONJSA-N 1 2 285.372 1.734 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc3ncccc3s2)C1 ZINC001015504574 681895704 /nfs/dbraw/zinc/89/57/04/681895704.db2.gz PKJWOSKVGXZYDE-LLVKDONJSA-N 1 2 285.372 1.734 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2ccc(C)n2)C1 ZINC001008572055 681919842 /nfs/dbraw/zinc/91/98/42/681919842.db2.gz WARKQLHIIRURNX-ZDUSSCGKSA-N 1 2 296.802 1.525 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2ccc(C)n2)C1 ZINC001008572055 681919844 /nfs/dbraw/zinc/91/98/44/681919844.db2.gz WARKQLHIIRURNX-ZDUSSCGKSA-N 1 2 296.802 1.525 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2ncccc2o1 ZINC001038527520 681955964 /nfs/dbraw/zinc/95/59/64/681955964.db2.gz YLMAVTNHTBKMFL-GFCCVEGCSA-N 1 2 283.331 1.655 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2ncccc2o1 ZINC001038527520 681955971 /nfs/dbraw/zinc/95/59/71/681955971.db2.gz YLMAVTNHTBKMFL-GFCCVEGCSA-N 1 2 283.331 1.655 20 30 CDEDLO N#CCc1ccnc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC000889253663 681968300 /nfs/dbraw/zinc/96/83/00/681968300.db2.gz BXUFGBMLBIYTFD-NSHDSACASA-N 1 2 282.307 1.091 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccn(C)n2)C1 ZINC001046840648 681980171 /nfs/dbraw/zinc/98/01/71/681980171.db2.gz ZSGNEIILRMEMCC-CYBMUJFWSA-N 1 2 282.775 1.367 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccn(C)n2)C1 ZINC001046840648 681980175 /nfs/dbraw/zinc/98/01/75/681980175.db2.gz ZSGNEIILRMEMCC-CYBMUJFWSA-N 1 2 282.775 1.367 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1ccccc1F ZINC000884053443 682026109 /nfs/dbraw/zinc/02/61/09/682026109.db2.gz WSANOLOPNRPICQ-ZDUSSCGKSA-N 1 2 294.326 1.231 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001015756358 682036556 /nfs/dbraw/zinc/03/65/56/682036556.db2.gz JXLYIZDVPNVQHF-GHMZBOCLSA-N 1 2 254.761 1.730 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001015756358 682036563 /nfs/dbraw/zinc/03/65/63/682036563.db2.gz JXLYIZDVPNVQHF-GHMZBOCLSA-N 1 2 254.761 1.730 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(C)cccc2F)C1 ZINC001044372740 682060836 /nfs/dbraw/zinc/06/08/36/682060836.db2.gz DVIWPNITTUAFIC-UHFFFAOYSA-N 1 2 274.339 1.914 20 30 CDEDLO Cc1cn(C(C)(C)C(=O)N2CCC(NCC#N)CC2)c[nH+]1 ZINC000996716259 682061583 /nfs/dbraw/zinc/06/15/83/682061583.db2.gz LRNSRJIBFNSWCK-UHFFFAOYSA-N 1 2 289.383 1.031 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2cccc(F)c2)CC1 ZINC000221708414 682095164 /nfs/dbraw/zinc/09/51/64/682095164.db2.gz DXKDAVMIPVEXQH-SREVYHEPSA-N 1 2 272.323 1.616 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2CC(C)(C)C2)C1 ZINC001035359781 682152046 /nfs/dbraw/zinc/15/20/46/682152046.db2.gz WZIQGLPXLKLEKS-AWEZNQCLSA-N 1 2 280.412 1.816 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C2CC(C)(C)C2)C1 ZINC001035359781 682152061 /nfs/dbraw/zinc/15/20/61/682152061.db2.gz WZIQGLPXLKLEKS-AWEZNQCLSA-N 1 2 280.412 1.816 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnoc1-c1ccco1 ZINC001038417576 682165081 /nfs/dbraw/zinc/16/50/81/682165081.db2.gz OCHBUBJGMKGDTJ-LLVKDONJSA-N 1 2 285.303 1.372 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnoc1-c1ccco1 ZINC001038417576 682165100 /nfs/dbraw/zinc/16/51/00/682165100.db2.gz OCHBUBJGMKGDTJ-LLVKDONJSA-N 1 2 285.303 1.372 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(F)cn2)C1 ZINC001014979526 682287552 /nfs/dbraw/zinc/28/75/52/682287552.db2.gz PTHHKLLOOJJRPZ-CYBMUJFWSA-N 1 2 297.761 1.706 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(F)cn2)C1 ZINC001014979526 682287563 /nfs/dbraw/zinc/28/75/63/682287563.db2.gz PTHHKLLOOJJRPZ-CYBMUJFWSA-N 1 2 297.761 1.706 20 30 CDEDLO C#CCOc1ccc(C[NH2+]Cc2ncnn2CC)cc1 ZINC000793346935 682289822 /nfs/dbraw/zinc/28/98/22/682289822.db2.gz VRKPAUHOAHSKHI-UHFFFAOYSA-N 1 2 270.336 1.600 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1cnc(Cl)cn1)[C@H]1CCCO1 ZINC000799167121 682306206 /nfs/dbraw/zinc/30/62/06/682306206.db2.gz UGZOYQBKBNQFLC-GHMZBOCLSA-N 1 2 251.717 1.400 20 30 CDEDLO C=C(Br)CN1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000249519234 682333797 /nfs/dbraw/zinc/33/37/97/682333797.db2.gz UEABXTJCMDMHHT-MNOVXSKESA-N 1 2 277.206 1.282 20 30 CDEDLO C=C(Br)CN1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000249519234 682333805 /nfs/dbraw/zinc/33/38/05/682333805.db2.gz UEABXTJCMDMHHT-MNOVXSKESA-N 1 2 277.206 1.282 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001035475775 682337009 /nfs/dbraw/zinc/33/70/09/682337009.db2.gz SLDUBGLQCVWLGO-ZIAGYGMSSA-N 1 2 280.412 1.816 20 30 CDEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(Cl)cs2)C1 ZINC001047549678 682346103 /nfs/dbraw/zinc/34/61/03/682346103.db2.gz CKCTVACMGGYVGK-QWRGUYRKSA-N 1 2 298.795 1.152 20 30 CDEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(Cl)cs2)C1 ZINC001047549678 682346105 /nfs/dbraw/zinc/34/61/05/682346105.db2.gz CKCTVACMGGYVGK-QWRGUYRKSA-N 1 2 298.795 1.152 20 30 CDEDLO C[C@@]1(C#N)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC000887695930 682351343 /nfs/dbraw/zinc/35/13/43/682351343.db2.gz JBXKTQDICWMEJR-CQSZACIVSA-N 1 2 270.292 1.318 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCCO2)C1 ZINC001033016253 682352861 /nfs/dbraw/zinc/35/28/61/682352861.db2.gz RDNNTIXBVLAOBD-STQMWFEESA-N 1 2 286.803 1.841 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCCO2)C1 ZINC001033016253 682352867 /nfs/dbraw/zinc/35/28/67/682352867.db2.gz RDNNTIXBVLAOBD-STQMWFEESA-N 1 2 286.803 1.841 20 30 CDEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C)s1 ZINC001017403723 682369241 /nfs/dbraw/zinc/36/92/41/682369241.db2.gz HCVCXKTXVDPRIC-BETUJISGSA-N 1 2 289.404 1.764 20 30 CDEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C)s1 ZINC001017403723 682369248 /nfs/dbraw/zinc/36/92/48/682369248.db2.gz HCVCXKTXVDPRIC-BETUJISGSA-N 1 2 289.404 1.764 20 30 CDEDLO Cc1cc(C#N)cc(NC(=O)/C=C/C[NH+]2CCOCC2)c1 ZINC000868798647 682380965 /nfs/dbraw/zinc/38/09/65/682380965.db2.gz SDWDTRIFMRWQPW-NSCUHMNNSA-N 1 2 285.347 1.694 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccsc1 ZINC001032446771 682393730 /nfs/dbraw/zinc/39/37/30/682393730.db2.gz KSUAUEPQMONMCA-KBPBESRZSA-N 1 2 274.389 1.599 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccsc1 ZINC001032446771 682393736 /nfs/dbraw/zinc/39/37/36/682393736.db2.gz KSUAUEPQMONMCA-KBPBESRZSA-N 1 2 274.389 1.599 20 30 CDEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+]2[C@@H](CC)C(N)=O)CC1 ZINC001038667588 682415678 /nfs/dbraw/zinc/41/56/78/682415678.db2.gz NUZMPNHGWABOFX-KBPBESRZSA-N 1 2 293.411 1.187 20 30 CDEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+]2[C@@H](CC)C(N)=O)CC1 ZINC001038667588 682415683 /nfs/dbraw/zinc/41/56/83/682415683.db2.gz NUZMPNHGWABOFX-KBPBESRZSA-N 1 2 293.411 1.187 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1OC ZINC001017885694 682434630 /nfs/dbraw/zinc/43/46/30/682434630.db2.gz KZJZOJOAXDSGRJ-OKILXGFUSA-N 1 2 299.374 1.402 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1OC ZINC001017885694 682434637 /nfs/dbraw/zinc/43/46/37/682434637.db2.gz KZJZOJOAXDSGRJ-OKILXGFUSA-N 1 2 299.374 1.402 20 30 CDEDLO C=CCCCC(=O)N1CC[NH+]([C@H]2CCN(C(C)=O)C2)CC1 ZINC001065674944 682445775 /nfs/dbraw/zinc/44/57/75/682445775.db2.gz JGROQRUUCSIJGO-HNNXBMFYSA-N 1 2 293.411 1.108 20 30 CDEDLO C[N@H+](CC(=O)Nc1nc2ccc(C#N)cc2[nH]1)C1CCC1 ZINC000881360497 682447480 /nfs/dbraw/zinc/44/74/80/682447480.db2.gz PNGHPBVCKFRYPW-UHFFFAOYSA-N 1 2 283.335 1.857 20 30 CDEDLO C[N@@H+](CC(=O)Nc1nc2ccc(C#N)cc2[nH]1)C1CCC1 ZINC000881360497 682447482 /nfs/dbraw/zinc/44/74/82/682447482.db2.gz PNGHPBVCKFRYPW-UHFFFAOYSA-N 1 2 283.335 1.857 20 30 CDEDLO Cc1nc(C#N)cc(N2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000881782872 682455134 /nfs/dbraw/zinc/45/51/34/682455134.db2.gz KUMCXFVMRSLQTG-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001046641641 682461029 /nfs/dbraw/zinc/46/10/29/682461029.db2.gz STEJSCMCISXHKF-CXTNEJHOSA-N 1 2 298.814 1.887 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001046641641 682461030 /nfs/dbraw/zinc/46/10/30/682461030.db2.gz STEJSCMCISXHKF-CXTNEJHOSA-N 1 2 298.814 1.887 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cc(C)ccc2OC)C1 ZINC001030627816 682476764 /nfs/dbraw/zinc/47/67/64/682476764.db2.gz GIEZFYTXKCIDLY-UHFFFAOYSA-N 1 2 288.391 1.923 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnc(CC)s2)C1 ZINC001033699688 682504133 /nfs/dbraw/zinc/50/41/33/682504133.db2.gz PKAKWMXJFXHBNW-LLVKDONJSA-N 1 2 277.393 1.485 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc(CC)s2)C1 ZINC001033699688 682504138 /nfs/dbraw/zinc/50/41/38/682504138.db2.gz PKAKWMXJFXHBNW-LLVKDONJSA-N 1 2 277.393 1.485 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccc(C)cc2)C1 ZINC001030628994 682512950 /nfs/dbraw/zinc/51/29/50/682512950.db2.gz MMTVJVNXORJOFH-UHFFFAOYSA-N 1 2 258.365 1.914 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@](C(=O)OCC)(C(C)C)CC1=O ZINC000795452749 682520081 /nfs/dbraw/zinc/52/00/81/682520081.db2.gz OVLUSLVEAFCVDE-BBRMVZONSA-N 1 2 294.395 1.335 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@](C(=O)OCC)(C(C)C)CC1=O ZINC000795452749 682520086 /nfs/dbraw/zinc/52/00/86/682520086.db2.gz OVLUSLVEAFCVDE-BBRMVZONSA-N 1 2 294.395 1.335 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccccc1 ZINC001032480989 682532695 /nfs/dbraw/zinc/53/26/95/682532695.db2.gz JGPVILWUSJFOPA-GJZGRUSLSA-N 1 2 254.333 1.147 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccccc1 ZINC001032480989 682532697 /nfs/dbraw/zinc/53/26/97/682532697.db2.gz JGPVILWUSJFOPA-GJZGRUSLSA-N 1 2 254.333 1.147 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccncc3)cc2C1 ZINC001054253183 682540980 /nfs/dbraw/zinc/54/09/80/682540980.db2.gz QAZQVCHEBWTCSO-UHFFFAOYSA-N 1 2 291.354 1.960 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccncc3)cc2C1 ZINC001054253183 682540995 /nfs/dbraw/zinc/54/09/95/682540995.db2.gz QAZQVCHEBWTCSO-UHFFFAOYSA-N 1 2 291.354 1.960 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC001074236044 682596382 /nfs/dbraw/zinc/59/63/82/682596382.db2.gz LKBDZLWJPWGINM-HZPDHXFCSA-N 1 2 288.391 1.278 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC001074236044 682596386 /nfs/dbraw/zinc/59/63/86/682596386.db2.gz LKBDZLWJPWGINM-HZPDHXFCSA-N 1 2 288.391 1.278 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000831447492 682601807 /nfs/dbraw/zinc/60/18/07/682601807.db2.gz OMPUPWLLHARICQ-GFCCVEGCSA-N 1 2 292.358 1.033 20 30 CDEDLO C=C(C)C[NH+]1CC(CNC(=O)c2cccc3nc[nH]c32)C1 ZINC001032067629 682634053 /nfs/dbraw/zinc/63/40/53/682634053.db2.gz PKNAQOKWXKJYDT-UHFFFAOYSA-N 1 2 284.363 1.801 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001054055066 682640009 /nfs/dbraw/zinc/64/00/09/682640009.db2.gz CVGYLURZMUYJBH-IRXDYDNUSA-N 1 2 294.398 1.963 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001054055066 682640017 /nfs/dbraw/zinc/64/00/17/682640017.db2.gz CVGYLURZMUYJBH-IRXDYDNUSA-N 1 2 294.398 1.963 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccnc(C)c2)C1 ZINC001035549891 682661967 /nfs/dbraw/zinc/66/19/67/682661967.db2.gz YRAOZUZZPDQCNB-OAHLLOKOSA-N 1 2 289.379 1.397 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccnc(C)c2)C1 ZINC001035549891 682661968 /nfs/dbraw/zinc/66/19/68/682661968.db2.gz YRAOZUZZPDQCNB-OAHLLOKOSA-N 1 2 289.379 1.397 20 30 CDEDLO CCCc1noc(CO[NH+]=C(N)Cc2cccnc2)n1 ZINC000092916039 682673934 /nfs/dbraw/zinc/67/39/34/682673934.db2.gz IXRDCOGGVFSDSM-UHFFFAOYSA-N 1 2 275.312 1.449 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(F)c1 ZINC001032346280 682691387 /nfs/dbraw/zinc/69/13/87/682691387.db2.gz CWSGVXZINKJJDU-KBPBESRZSA-N 1 2 273.311 1.143 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(F)c1 ZINC001032346280 682691394 /nfs/dbraw/zinc/69/13/94/682691394.db2.gz CWSGVXZINKJJDU-KBPBESRZSA-N 1 2 273.311 1.143 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCO[C@@H](C)C2)C1 ZINC001032075232 682694096 /nfs/dbraw/zinc/69/40/96/682694096.db2.gz ITZZFCSCVYAEHD-WCQYABFASA-N 1 2 286.803 1.602 20 30 CDEDLO C=CC[C@H]([NH2+][C@@H](COC)[C@H]1CCCOC1)C(=O)OC ZINC000886917898 682699353 /nfs/dbraw/zinc/69/93/53/682699353.db2.gz MZMRVSDZFVXKEV-AVGNSLFASA-N 1 2 271.357 1.135 20 30 CDEDLO C[C@]1(C#N)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC000887695929 682700368 /nfs/dbraw/zinc/70/03/68/682700368.db2.gz JBXKTQDICWMEJR-AWEZNQCLSA-N 1 2 270.292 1.318 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1C2CC3CC(C2)CC1C3 ZINC001038350030 682702030 /nfs/dbraw/zinc/70/20/30/682702030.db2.gz SNVHYURKFWYMAP-IKXAHOJESA-N 1 2 286.419 1.882 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1C2CC3CC(C2)CC1C3 ZINC001038350030 682702034 /nfs/dbraw/zinc/70/20/34/682702034.db2.gz SNVHYURKFWYMAP-IKXAHOJESA-N 1 2 286.419 1.882 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCCC[C@H]1CC ZINC000884092300 682721350 /nfs/dbraw/zinc/72/13/50/682721350.db2.gz ZVGXPOQBPWNXGC-AGIUHOORSA-N 1 2 282.384 1.518 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1coc(C(F)(F)F)n1 ZINC001038460087 682794276 /nfs/dbraw/zinc/79/42/76/682794276.db2.gz FLPXFWKCTSLPGO-QMMMGPOBSA-N 1 2 289.257 1.684 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(C(F)(F)F)n1 ZINC001038460087 682794286 /nfs/dbraw/zinc/79/42/86/682794286.db2.gz FLPXFWKCTSLPGO-QMMMGPOBSA-N 1 2 289.257 1.684 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC12CC2 ZINC001017993391 682800938 /nfs/dbraw/zinc/80/09/38/682800938.db2.gz PPQQTJOLXNGRLU-HZSPNIEDSA-N 1 2 258.365 1.485 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC12CC2 ZINC001017993391 682800939 /nfs/dbraw/zinc/80/09/39/682800939.db2.gz PPQQTJOLXNGRLU-HZSPNIEDSA-N 1 2 258.365 1.485 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[C@H]1CCCCO1 ZINC001032407135 682816201 /nfs/dbraw/zinc/81/62/01/682816201.db2.gz MXBBQCFAENXZRA-SOUVJXGZSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[C@H]1CCCCO1 ZINC001032407135 682816202 /nfs/dbraw/zinc/81/62/02/682816202.db2.gz MXBBQCFAENXZRA-SOUVJXGZSA-N 1 2 290.407 1.500 20 30 CDEDLO CC(C)CN(CCC#N)CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000775979371 682823315 /nfs/dbraw/zinc/82/33/15/682823315.db2.gz UPSZNEPBFRRTMA-GASCZTMLSA-N 1 2 265.401 1.721 20 30 CDEDLO CC(C)CN(CCC#N)CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000775979371 682823316 /nfs/dbraw/zinc/82/33/16/682823316.db2.gz UPSZNEPBFRRTMA-GASCZTMLSA-N 1 2 265.401 1.721 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001014464830 682843900 /nfs/dbraw/zinc/84/39/00/682843900.db2.gz YHMLDTVWMOBOKT-MJBXVCDLSA-N 1 2 298.814 1.911 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001014464830 682843901 /nfs/dbraw/zinc/84/39/01/682843901.db2.gz YHMLDTVWMOBOKT-MJBXVCDLSA-N 1 2 298.814 1.911 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1nnc2n1CCCCC2)[C@@H]1CCCO1 ZINC000775789848 682851009 /nfs/dbraw/zinc/85/10/09/682851009.db2.gz FHSUDOIQZSDHMH-OLZOCXBDSA-N 1 2 274.368 1.275 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(C)n2)C1 ZINC001035292544 682854353 /nfs/dbraw/zinc/85/43/53/682854353.db2.gz DZWFCROHRPYAOI-CQSZACIVSA-N 1 2 289.379 1.397 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cccc(C)n2)C1 ZINC001035292544 682854356 /nfs/dbraw/zinc/85/43/56/682854356.db2.gz DZWFCROHRPYAOI-CQSZACIVSA-N 1 2 289.379 1.397 20 30 CDEDLO C=C(C)C[C@@H](NC(=O)CCCn1cc[nH+]c1)C(=O)OCC ZINC000881750053 682869133 /nfs/dbraw/zinc/86/91/33/682869133.db2.gz CBOHCCWKBVTASE-CYBMUJFWSA-N 1 2 293.367 1.677 20 30 CDEDLO C=C(C)C[C@H](CO)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000883749804 683040029 /nfs/dbraw/zinc/04/00/29/683040029.db2.gz RAOIPTKOEOQSIK-CQSZACIVSA-N 1 2 277.368 1.825 20 30 CDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cocn2)CC1 ZINC001004394744 683061770 /nfs/dbraw/zinc/06/17/70/683061770.db2.gz INXORKFWFGJFIV-AWEZNQCLSA-N 1 2 288.351 1.515 20 30 CDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cocn2)CC1 ZINC001004394744 683061773 /nfs/dbraw/zinc/06/17/73/683061773.db2.gz INXORKFWFGJFIV-AWEZNQCLSA-N 1 2 288.351 1.515 20 30 CDEDLO C#Cc1ccc(NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)c(Cl)c1 ZINC000885670199 683067037 /nfs/dbraw/zinc/06/70/37/683067037.db2.gz WAFXNZXQWNIPCT-XHDPSFHLSA-N 1 2 292.766 1.715 20 30 CDEDLO C#Cc1ccc(NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)c(Cl)c1 ZINC000885670199 683067042 /nfs/dbraw/zinc/06/70/42/683067042.db2.gz WAFXNZXQWNIPCT-XHDPSFHLSA-N 1 2 292.766 1.715 20 30 CDEDLO CC[N@H+](CCC#N)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851797912 683067081 /nfs/dbraw/zinc/06/70/81/683067081.db2.gz MYLKVZJMOFKAAR-CYBMUJFWSA-N 1 2 297.399 1.858 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851797912 683067085 /nfs/dbraw/zinc/06/70/85/683067085.db2.gz MYLKVZJMOFKAAR-CYBMUJFWSA-N 1 2 297.399 1.858 20 30 CDEDLO N#CCSCC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927098124 683202914 /nfs/dbraw/zinc/20/29/14/683202914.db2.gz CHDXAEXOINMPFY-UHFFFAOYSA-N 1 2 290.392 1.741 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)cc(F)c1 ZINC001032767420 683222649 /nfs/dbraw/zinc/22/26/49/683222649.db2.gz CPEXEFNXGXNKJM-KBPBESRZSA-N 1 2 276.286 1.497 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)cc(F)c1 ZINC001032767420 683222654 /nfs/dbraw/zinc/22/26/54/683222654.db2.gz CPEXEFNXGXNKJM-KBPBESRZSA-N 1 2 276.286 1.497 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2coc(CCC)n2)C1 ZINC001044181101 683252950 /nfs/dbraw/zinc/25/29/50/683252950.db2.gz WIAPZFDEPBWQHN-UHFFFAOYSA-N 1 2 275.352 1.407 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844451356 683266789 /nfs/dbraw/zinc/26/67/89/683266789.db2.gz JYDVFGVBTSQKBP-SDDRHHMPSA-N 1 2 297.349 1.914 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844451356 683266801 /nfs/dbraw/zinc/26/68/01/683266801.db2.gz JYDVFGVBTSQKBP-SDDRHHMPSA-N 1 2 297.349 1.914 20 30 CDEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C#CC1CC1 ZINC000837358990 683343459 /nfs/dbraw/zinc/34/34/59/683343459.db2.gz FFVTWJIMXYFYIN-ZDUSSCGKSA-N 1 2 259.353 1.827 20 30 CDEDLO C=CCC[NH+]1CC(N(C)C(=O)c2cnc(CC(C)C)[nH]2)C1 ZINC001042720466 683364561 /nfs/dbraw/zinc/36/45/61/683364561.db2.gz HNUAGFWQVVMLMY-UHFFFAOYSA-N 1 2 290.411 1.941 20 30 CDEDLO C#Cc1cncc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000807288433 683375784 /nfs/dbraw/zinc/37/57/84/683375784.db2.gz WSECKDGDRWXGQB-CYBMUJFWSA-N 1 2 266.304 1.004 20 30 CDEDLO CCN(CCC#N)C(=O)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845279161 683383015 /nfs/dbraw/zinc/38/30/15/683383015.db2.gz ABECRAMKYWDFSD-LBPRGKRZSA-N 1 2 292.339 1.140 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C ZINC000884169637 683388824 /nfs/dbraw/zinc/38/88/24/683388824.db2.gz HEWYQTOIMUBROI-RWMBFGLXSA-N 1 2 296.411 1.764 20 30 CDEDLO NC(=[NH+]OCc1cc2n(n1)CCC2)c1ccc(F)cc1 ZINC000844763200 683439581 /nfs/dbraw/zinc/43/95/81/683439581.db2.gz ZYEJYGVEDBKOGH-UHFFFAOYSA-N 1 2 274.299 1.806 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000886142828 683471708 /nfs/dbraw/zinc/47/17/08/683471708.db2.gz LWIHHVNEGRBBGQ-NEPJUHHUSA-N 1 2 261.281 1.260 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCOC1 ZINC001027781142 683485814 /nfs/dbraw/zinc/48/58/14/683485814.db2.gz FFBBTWOESNSRAQ-VXGBXAGGSA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCOC1 ZINC001027781142 683485823 /nfs/dbraw/zinc/48/58/23/683485823.db2.gz FFBBTWOESNSRAQ-VXGBXAGGSA-N 1 2 272.776 1.356 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(C)nn(CC)c2C)C1 ZINC001044058332 683503615 /nfs/dbraw/zinc/50/36/15/683503615.db2.gz OFFSAPBCKDAKKZ-UHFFFAOYSA-N 1 2 288.395 1.299 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C(C)(C)F)CCO2 ZINC001053119555 683526056 /nfs/dbraw/zinc/52/60/56/683526056.db2.gz CONPYKRSDYDDCO-UHFFFAOYSA-N 1 2 270.348 1.224 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@H+]2C/C=C\Cl)c1 ZINC001038147216 683570117 /nfs/dbraw/zinc/57/01/17/683570117.db2.gz VJDQGUDEPDJRPV-NNRVYMOVSA-N 1 2 278.743 1.443 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@@H+]2C/C=C\Cl)c1 ZINC001038147216 683570128 /nfs/dbraw/zinc/57/01/28/683570128.db2.gz VJDQGUDEPDJRPV-NNRVYMOVSA-N 1 2 278.743 1.443 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC(C)C)C[C@H]21 ZINC001074148459 683576342 /nfs/dbraw/zinc/57/63/42/683576342.db2.gz VOGVFPLHBPTFKD-HUUCEWRRSA-N 1 2 278.396 1.358 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC(C)C)C[C@H]21 ZINC001074148459 683576355 /nfs/dbraw/zinc/57/63/55/683576355.db2.gz VOGVFPLHBPTFKD-HUUCEWRRSA-N 1 2 278.396 1.358 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(OC)c2)C1 ZINC001035589675 683604090 /nfs/dbraw/zinc/60/40/90/683604090.db2.gz JNTHPPKTQCMROY-HNNXBMFYSA-N 1 2 290.363 1.312 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cccc(OC)c2)C1 ZINC001035589675 683604092 /nfs/dbraw/zinc/60/40/92/683604092.db2.gz JNTHPPKTQCMROY-HNNXBMFYSA-N 1 2 290.363 1.312 20 30 CDEDLO C[C@H](C#N)OCC[NH+]1CCN(Cc2cncs2)CC1 ZINC000931358733 683649822 /nfs/dbraw/zinc/64/98/22/683649822.db2.gz FPRZBHRXCCVKIM-GFCCVEGCSA-N 1 2 280.397 1.189 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C)n1 ZINC001038073491 683659881 /nfs/dbraw/zinc/65/98/81/683659881.db2.gz ABYPYOPQWYTTHZ-CYBMUJFWSA-N 1 2 257.337 1.217 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C)n1 ZINC001038073491 683659888 /nfs/dbraw/zinc/65/98/88/683659888.db2.gz ABYPYOPQWYTTHZ-CYBMUJFWSA-N 1 2 257.337 1.217 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC001030767402 683664626 /nfs/dbraw/zinc/66/46/26/683664626.db2.gz GNRIDEVMHIUBKO-UHFFFAOYSA-N 1 2 299.378 1.267 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)ccn1C ZINC001017505842 683712370 /nfs/dbraw/zinc/71/23/70/683712370.db2.gz XOIZMEFNAYIGDT-OKILXGFUSA-N 1 2 271.364 1.256 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)ccn1C ZINC001017505842 683712380 /nfs/dbraw/zinc/71/23/80/683712380.db2.gz XOIZMEFNAYIGDT-OKILXGFUSA-N 1 2 271.364 1.256 20 30 CDEDLO C#C[C@H]([NH2+]Cc1ncc(CC)s1)[C@@H]1CCCO1 ZINC000775345861 683732544 /nfs/dbraw/zinc/73/25/44/683732544.db2.gz QRPZIIBOOFVGGK-RYUDHWBXSA-N 1 2 250.367 1.976 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(C2CCC2)CC1 ZINC000884401598 683769554 /nfs/dbraw/zinc/76/95/54/683769554.db2.gz VBJTZTCAVOPKKY-AWEZNQCLSA-N 1 2 294.395 1.472 20 30 CDEDLO C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)c2ncn[nH]2)CC1 ZINC001016885469 683771538 /nfs/dbraw/zinc/77/15/38/683771538.db2.gz VDRASXIKURLHCK-SNVBAGLBSA-N 1 2 295.774 1.142 20 30 CDEDLO C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)c2nc[nH]n2)CC1 ZINC001016885469 683771545 /nfs/dbraw/zinc/77/15/45/683771545.db2.gz VDRASXIKURLHCK-SNVBAGLBSA-N 1 2 295.774 1.142 20 30 CDEDLO C=C(C)C[C@@H](CO)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000882892065 683772526 /nfs/dbraw/zinc/77/25/26/683772526.db2.gz LTBBZLZJKLXDMM-INIZCTEOSA-N 1 2 299.374 1.988 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H]2CCN(C(=O)C=C(C)C)C[C@@H]21 ZINC001074151251 683809341 /nfs/dbraw/zinc/80/93/41/683809341.db2.gz JYTRRXSTCOKGTP-UONOGXRCSA-N 1 2 264.369 1.440 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C=C(C)C)C[C@@H]21 ZINC001074151251 683809342 /nfs/dbraw/zinc/80/93/42/683809342.db2.gz JYTRRXSTCOKGTP-UONOGXRCSA-N 1 2 264.369 1.440 20 30 CDEDLO Cn1c[nH+]cc1CCOC(=O)c1cc(C#N)cs1 ZINC000793251721 683811280 /nfs/dbraw/zinc/81/12/80/683811280.db2.gz VGHJWNXGSNUGMH-UHFFFAOYSA-N 1 2 261.306 1.753 20 30 CDEDLO C=CCN1CCN(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)C1=O ZINC000840073919 683858321 /nfs/dbraw/zinc/85/83/21/683858321.db2.gz MUMGWAXQCZRIFJ-KGLIPLIRSA-N 1 2 293.411 1.757 20 30 CDEDLO C=CCN1CCN(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)C1=O ZINC000840073919 683858322 /nfs/dbraw/zinc/85/83/22/683858322.db2.gz MUMGWAXQCZRIFJ-KGLIPLIRSA-N 1 2 293.411 1.757 20 30 CDEDLO C#CCCN1CC[NH+]([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000851873105 683875370 /nfs/dbraw/zinc/87/53/70/683875370.db2.gz QDELEMHBNVYCBU-OWCLPIDISA-N 1 2 289.423 1.075 20 30 CDEDLO O=C(C#CC1CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000837305142 683877401 /nfs/dbraw/zinc/87/74/01/683877401.db2.gz GLICHXZSBVWFAR-UHFFFAOYSA-N 1 2 268.360 1.744 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2ccncc2c1 ZINC001038897107 683880483 /nfs/dbraw/zinc/88/04/83/683880483.db2.gz XNROXQIFDMIALQ-MRXNPFEDSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2ccncc2c1 ZINC001038897107 683880485 /nfs/dbraw/zinc/88/04/85/683880485.db2.gz XNROXQIFDMIALQ-MRXNPFEDSA-N 1 2 279.343 1.672 20 30 CDEDLO COc1cc(C)nc(N=NCc2c[nH+]c3n2CCC3)n1 ZINC000853313631 683881779 /nfs/dbraw/zinc/88/17/79/683881779.db2.gz HRXXARPLSQHMEK-UHFFFAOYSA-N 1 2 272.312 1.382 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2c(C)cnn2C)C1 ZINC001033339269 683882526 /nfs/dbraw/zinc/88/25/26/683882526.db2.gz RPGBFIXWQLHABL-GFCCVEGCSA-N 1 2 296.802 1.627 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c(C)cnn2C)C1 ZINC001033339269 683882527 /nfs/dbraw/zinc/88/25/27/683882527.db2.gz RPGBFIXWQLHABL-GFCCVEGCSA-N 1 2 296.802 1.627 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C(C)(C)c2cnn(C)c2)C1 ZINC001044120251 683886400 /nfs/dbraw/zinc/88/64/00/683886400.db2.gz OZSUXMOKPCYIJL-UHFFFAOYSA-N 1 2 290.411 1.416 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(C)cc2)C1 ZINC001044222968 683892079 /nfs/dbraw/zinc/89/20/79/683892079.db2.gz CHOGRGDHEPURFW-UHFFFAOYSA-N 1 2 256.349 1.775 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccn(C)n2)CC[C@H]1C ZINC001072072490 683913909 /nfs/dbraw/zinc/91/39/09/683913909.db2.gz KYFMAQQSXDCUFD-VXGBXAGGSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccn(C)n2)CC[C@H]1C ZINC001072072490 683913912 /nfs/dbraw/zinc/91/39/12/683913912.db2.gz KYFMAQQSXDCUFD-VXGBXAGGSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccnc3ccnn32)C1 ZINC001042898178 683921195 /nfs/dbraw/zinc/92/11/95/683921195.db2.gz XTAJWPZKPSOWMC-UHFFFAOYSA-N 1 2 285.351 1.062 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COC1CCCC1 ZINC001017376232 683930416 /nfs/dbraw/zinc/93/04/16/683930416.db2.gz UBXJWMLDZJAJPR-OKILXGFUSA-N 1 2 276.380 1.254 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COC1CCCC1 ZINC001017376232 683930418 /nfs/dbraw/zinc/93/04/18/683930418.db2.gz UBXJWMLDZJAJPR-OKILXGFUSA-N 1 2 276.380 1.254 20 30 CDEDLO C=C[C@](C)(O)c1cn(Cc2cc(OC)cc(C)[nH+]2)nn1 ZINC000881365171 683942404 /nfs/dbraw/zinc/94/24/04/683942404.db2.gz NWCMHGQQNBTCKN-AWEZNQCLSA-N 1 2 274.324 1.432 20 30 CDEDLO C[C@@H]1OCC[C@H]1CO[NH+]=C(N)c1ccc(F)cc1 ZINC000871723134 683994784 /nfs/dbraw/zinc/99/47/84/683994784.db2.gz VBOIDFMGTBGQFB-ONGXEEELSA-N 1 2 252.289 1.888 20 30 CDEDLO C[C@@H]1C[C@H](NCC#N)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001044647019 684000470 /nfs/dbraw/zinc/00/04/70/684000470.db2.gz HIRKWQYWRASJET-DGCLKSJQSA-N 1 2 297.362 1.669 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001051143149 684004841 /nfs/dbraw/zinc/00/48/41/684004841.db2.gz WUOXFPNJDVOSJN-ZIAGYGMSSA-N 1 2 278.396 1.570 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001051143149 684004846 /nfs/dbraw/zinc/00/48/46/684004846.db2.gz WUOXFPNJDVOSJN-ZIAGYGMSSA-N 1 2 278.396 1.570 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000923167756 684025198 /nfs/dbraw/zinc/02/51/98/684025198.db2.gz XSTSGVJTZKOKMW-MGPQQGTHSA-N 1 2 283.368 1.232 20 30 CDEDLO C#C[C@@H](C)NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000776476205 684043908 /nfs/dbraw/zinc/04/39/08/684043908.db2.gz ITUVRYJBZQPRAB-SNVBAGLBSA-N 1 2 261.325 1.528 20 30 CDEDLO COC(=O)[C@@]1([NH2+]CCO[C@@H](C)C#N)CC[C@@H](C)CC1 ZINC000852471747 684064038 /nfs/dbraw/zinc/06/40/38/684064038.db2.gz GDHRWXPCWXETBH-OBJOEFQTSA-N 1 2 268.357 1.627 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cn(C)nc2C(F)F)C1 ZINC001042943676 684070195 /nfs/dbraw/zinc/07/01/95/684070195.db2.gz FWVWZTFGTNFXHN-UHFFFAOYSA-N 1 2 298.337 1.690 20 30 CDEDLO C[C@H]([NH2+][C@H](CO)C[C@@H]1CCCO1)c1cccc(C#N)c1O ZINC000886671993 684075721 /nfs/dbraw/zinc/07/57/21/684075721.db2.gz HLCYWJQQWQOECZ-UBHSHLNASA-N 1 2 290.363 1.844 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1(CCC)CC1 ZINC000884173099 684091099 /nfs/dbraw/zinc/09/10/99/684091099.db2.gz MHYGTFXCRMSOBO-NSHDSACASA-N 1 2 268.357 1.130 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncccc1OCC=C ZINC001038902724 684158524 /nfs/dbraw/zinc/15/85/24/684158524.db2.gz AUVZNYNHFVWYLA-CYBMUJFWSA-N 1 2 285.347 1.084 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncccc1OCC=C ZINC001038902724 684158527 /nfs/dbraw/zinc/15/85/27/684158527.db2.gz AUVZNYNHFVWYLA-CYBMUJFWSA-N 1 2 285.347 1.084 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CC1 ZINC001017454549 684184655 /nfs/dbraw/zinc/18/46/55/684184655.db2.gz JAXNBVBFNQOFSX-YUELXQCFSA-N 1 2 260.381 1.731 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CC1 ZINC001017454549 684184671 /nfs/dbraw/zinc/18/46/71/684184671.db2.gz JAXNBVBFNQOFSX-YUELXQCFSA-N 1 2 260.381 1.731 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1CC ZINC001032488976 684192394 /nfs/dbraw/zinc/19/23/94/684192394.db2.gz BMFAWMFHDWMXPQ-GJZGRUSLSA-N 1 2 283.375 1.566 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1CC ZINC001032488976 684192398 /nfs/dbraw/zinc/19/23/98/684192398.db2.gz BMFAWMFHDWMXPQ-GJZGRUSLSA-N 1 2 283.375 1.566 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CC2(C)CCC2)C1 ZINC000885508784 684218461 /nfs/dbraw/zinc/21/84/61/684218461.db2.gz LBJXCFVHTVLIBE-CYBMUJFWSA-N 1 2 284.425 1.194 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CC2(C)CCC2)C1 ZINC000885508784 684218466 /nfs/dbraw/zinc/21/84/66/684218466.db2.gz LBJXCFVHTVLIBE-CYBMUJFWSA-N 1 2 284.425 1.194 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1C=CCC1)CO2 ZINC001053734037 684255528 /nfs/dbraw/zinc/25/55/28/684255528.db2.gz ILKJZZVAYCYMJA-HUUCEWRRSA-N 1 2 288.391 1.326 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3nc(C)n(C)c3c2)C1 ZINC001030784160 684261189 /nfs/dbraw/zinc/26/11/89/684261189.db2.gz IJNPXRILULXDDH-UHFFFAOYSA-N 1 2 296.374 1.319 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)CCO2 ZINC001038729672 684271535 /nfs/dbraw/zinc/27/15/35/684271535.db2.gz OCUOZLGURGOOAO-AWEZNQCLSA-N 1 2 270.332 1.059 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)CCO2 ZINC001038729672 684271540 /nfs/dbraw/zinc/27/15/40/684271540.db2.gz OCUOZLGURGOOAO-AWEZNQCLSA-N 1 2 270.332 1.059 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnns3)C[C@H]21 ZINC001114025546 1162407997 /nfs/dbraw/zinc/40/79/97/1162407997.db2.gz LUVRREHDTSZGBL-PJXYFTJBSA-N 1 2 278.381 1.051 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnns3)C[C@H]21 ZINC001114025546 1162408001 /nfs/dbraw/zinc/40/80/01/1162408001.db2.gz LUVRREHDTSZGBL-PJXYFTJBSA-N 1 2 278.381 1.051 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(NCC3OCCO3)c2c1 ZINC001158197874 1162772197 /nfs/dbraw/zinc/77/21/97/1162772197.db2.gz ASQCFKZIRIYOFZ-UHFFFAOYSA-N 1 2 255.277 1.891 20 30 CDEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)F)CC[C@@H]1C ZINC001131742343 1163024631 /nfs/dbraw/zinc/02/46/31/1163024631.db2.gz CJAFYAPJHOWLAJ-RYUDHWBXSA-N 1 2 299.390 1.006 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)F)CC[C@@H]1C ZINC001131742343 1163024638 /nfs/dbraw/zinc/02/46/38/1163024638.db2.gz CJAFYAPJHOWLAJ-RYUDHWBXSA-N 1 2 299.390 1.006 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2c(C)n[nH]c2C)C1 ZINC001108284507 1161983661 /nfs/dbraw/zinc/98/36/61/1161983661.db2.gz UWRHMAJDIJMUDG-HNNXBMFYSA-N 1 2 292.383 1.033 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2c(C)n[nH]c2C)C1 ZINC001108284507 1161983663 /nfs/dbraw/zinc/98/36/63/1161983663.db2.gz UWRHMAJDIJMUDG-HNNXBMFYSA-N 1 2 292.383 1.033 20 30 CDEDLO Cc1cc(NC2(CNC(=O)[C@H](C)C#N)CC2)nc(C2CC2)[nH+]1 ZINC001110087667 1162074278 /nfs/dbraw/zinc/07/42/78/1162074278.db2.gz HLJFRGVEQWYHQI-SNVBAGLBSA-N 1 2 299.378 1.883 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](OC)C2CCC2)CC1 ZINC001113166320 1162120204 /nfs/dbraw/zinc/12/02/04/1162120204.db2.gz KLZRFFPPVKGXMC-OAHLLOKOSA-N 1 2 296.411 1.148 20 30 CDEDLO CN(C)c1ncc(C=[NH+]Nc2ccc3n[nH]cc3c2)n1C ZINC000811647484 1163510745 /nfs/dbraw/zinc/51/07/45/1163510745.db2.gz OFRWABNAXYXSPI-UHFFFAOYSA-N 1 2 283.339 1.808 20 30 CDEDLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(C#N)n2C)c1C ZINC000822887630 1164232404 /nfs/dbraw/zinc/23/24/04/1164232404.db2.gz GPHABLJDOYNATK-UHFFFAOYSA-N 1 2 298.346 1.847 20 30 CDEDLO Cn1c[nH+]c2cc(Nc3cncc(C#N)n3)ccc21 ZINC001639539236 1166948981 /nfs/dbraw/zinc/94/89/81/1166948981.db2.gz COZUDDQFOFXSDK-UHFFFAOYSA-N 1 2 250.265 1.979 20 30 CDEDLO Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C2)no1 ZINC001206641537 1167094868 /nfs/dbraw/zinc/09/48/68/1167094868.db2.gz VTNDVJIFCMCYAV-GIPNMCIBSA-N 1 2 276.340 1.079 20 30 CDEDLO Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C2)no1 ZINC001206641537 1167094875 /nfs/dbraw/zinc/09/48/75/1167094875.db2.gz VTNDVJIFCMCYAV-GIPNMCIBSA-N 1 2 276.340 1.079 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCC3(C2)OCCO3)c1 ZINC001232677178 1167389797 /nfs/dbraw/zinc/38/97/97/1167389797.db2.gz BVSQZQMZJHOQQL-UHFFFAOYSA-N 1 2 274.320 1.603 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCCC3(C2)OCCO3)c1 ZINC001232677178 1167389800 /nfs/dbraw/zinc/38/98/00/1167389800.db2.gz BVSQZQMZJHOQQL-UHFFFAOYSA-N 1 2 274.320 1.603 20 30 CDEDLO C=C[C@H](C(=O)NCCC[NH2+]Cc1c[nH]nn1)c1ccccc1 ZINC001575061088 1171099657 /nfs/dbraw/zinc/09/96/57/1171099657.db2.gz AYBOGTOSNQUSIB-HNNXBMFYSA-N 1 2 299.378 1.370 20 30 CDEDLO C=C[C@H](C(=O)NCCC[NH2+]Cc1cn[nH]n1)c1ccccc1 ZINC001575061088 1171099667 /nfs/dbraw/zinc/09/96/67/1171099667.db2.gz AYBOGTOSNQUSIB-HNNXBMFYSA-N 1 2 299.378 1.370 20 30 CDEDLO C#C[C@H]1CCC[N@H+](Cc2nc(-c3nn[nH]n3)cs2)C1 ZINC001588332118 1173032853 /nfs/dbraw/zinc/03/28/53/1173032853.db2.gz GNYOYAICMUFHSN-VIFPVBQESA-N 1 2 274.353 1.168 20 30 CDEDLO C#C[C@H]1CCC[N@@H+](Cc2nc(-c3nn[nH]n3)cs2)C1 ZINC001588332118 1173032857 /nfs/dbraw/zinc/03/28/57/1173032857.db2.gz GNYOYAICMUFHSN-VIFPVBQESA-N 1 2 274.353 1.168 20 30 CDEDLO CC[C@@H]([NH2+]CCCC#N)c1cccc(-c2nn[nH]n2)c1O ZINC001590469057 1173421252 /nfs/dbraw/zinc/42/12/52/1173421252.db2.gz XPRYAOOCIZWKLO-GFCCVEGCSA-N 1 2 286.339 1.917 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@H]1CNCC#N ZINC001733921610 1183569369 /nfs/dbraw/zinc/56/93/69/1183569369.db2.gz CIWZVJPNTHVUAE-JSGCOSHPSA-N 1 2 289.383 1.083 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@H]1CNCC#N ZINC001733921610 1183569370 /nfs/dbraw/zinc/56/93/70/1183569370.db2.gz CIWZVJPNTHVUAE-JSGCOSHPSA-N 1 2 289.383 1.083 20 30 CDEDLO C=C(C)CCC(=O)NCCC[N@@H+](C)[C@@H](C)c1nncn1C ZINC001751979676 1184803733 /nfs/dbraw/zinc/80/37/33/1184803733.db2.gz BUXNHKYJXVPILI-ZDUSSCGKSA-N 1 2 293.415 1.671 20 30 CDEDLO C=C(C)CCC(=O)NCCC[N@H+](C)[C@@H](C)c1nncn1C ZINC001751979676 1184803740 /nfs/dbraw/zinc/80/37/40/1184803740.db2.gz BUXNHKYJXVPILI-ZDUSSCGKSA-N 1 2 293.415 1.671 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@@H+](CC)Cc1cc(C)n(C)n1 ZINC001753090767 1185054121 /nfs/dbraw/zinc/05/41/21/1185054121.db2.gz WYPPHKVDQHOXIJ-UHFFFAOYSA-N 1 2 292.427 1.879 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@H+](CC)Cc1cc(C)n(C)n1 ZINC001753090767 1185054123 /nfs/dbraw/zinc/05/41/23/1185054123.db2.gz WYPPHKVDQHOXIJ-UHFFFAOYSA-N 1 2 292.427 1.879 20 30 CDEDLO CC(C)C#CC(=O)N(C)CC[NH2+][C@@H](C)c1csnn1 ZINC001753187820 1185110107 /nfs/dbraw/zinc/11/01/07/1185110107.db2.gz WGUAENLPGZCSFM-NSHDSACASA-N 1 2 280.397 1.307 20 30 CDEDLO CC(C)c1noc(C[NH2+]CCN(C)C(=O)C#CC2CC2)n1 ZINC001753187514 1185110376 /nfs/dbraw/zinc/11/03/76/1185110376.db2.gz KDTQXMCWDQRELN-UHFFFAOYSA-N 1 2 290.367 1.154 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](CC)OC1CCCCC1 ZINC001754481760 1185637208 /nfs/dbraw/zinc/63/72/08/1185637208.db2.gz BGOGYIUKBKUMCR-ZBFHGGJFSA-N 1 2 292.423 1.938 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](CC)OC1CCCCC1 ZINC001754481760 1185637210 /nfs/dbraw/zinc/63/72/10/1185637210.db2.gz BGOGYIUKBKUMCR-ZBFHGGJFSA-N 1 2 292.423 1.938 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)COC2CCCC2)C1 ZINC001754570605 1185668928 /nfs/dbraw/zinc/66/89/28/1185668928.db2.gz AEJYQOGKBKTQSN-UHFFFAOYSA-N 1 2 266.385 1.664 20 30 CDEDLO CC1(CNC(=O)CCc2c[nH+]c[nH]2)CCN(CC#N)CC1 ZINC001754718331 1185713562 /nfs/dbraw/zinc/71/35/62/1185713562.db2.gz XPRAMMPSCLZVSR-UHFFFAOYSA-N 1 2 289.383 1.084 20 30 CDEDLO CC1(CNC(=O)CCc2c[nH]c[nH+]2)CCN(CC#N)CC1 ZINC001754718331 1185713558 /nfs/dbraw/zinc/71/35/58/1185713558.db2.gz XPRAMMPSCLZVSR-UHFFFAOYSA-N 1 2 289.383 1.084 20 30 CDEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1CC=CCC1 ZINC001754970777 1185774948 /nfs/dbraw/zinc/77/49/48/1185774948.db2.gz ZVVAPPDIPDOMDH-HZPDHXFCSA-N 1 2 290.407 1.573 20 30 CDEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1CC=CCC1 ZINC001754970777 1185774952 /nfs/dbraw/zinc/77/49/52/1185774952.db2.gz ZVVAPPDIPDOMDH-HZPDHXFCSA-N 1 2 290.407 1.573 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N1CCOC2(C[NH+](CCC)C2)C1 ZINC001755048665 1185800187 /nfs/dbraw/zinc/80/01/87/1185800187.db2.gz FANXGFHRSVOXAV-AWEZNQCLSA-N 1 2 296.411 1.291 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1c(C)csc1C(=O)OC ZINC000878500056 1166199406 /nfs/dbraw/zinc/19/94/06/1166199406.db2.gz AQVVYVIYSBBWNK-SNVBAGLBSA-N 1 2 294.376 1.735 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1c(C)csc1C(=O)OC ZINC000878500056 1166199409 /nfs/dbraw/zinc/19/94/09/1166199409.db2.gz AQVVYVIYSBBWNK-SNVBAGLBSA-N 1 2 294.376 1.735 20 30 CDEDLO C=CCO[C@H](C)C(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001095044570 912271303 /nfs/dbraw/zinc/27/13/03/912271303.db2.gz YEUJLHOMUVQWKS-DGCLKSJQSA-N 1 2 290.367 1.389 20 30 CDEDLO C=CCC(C)(C)C(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001106129398 913120139 /nfs/dbraw/zinc/12/01/39/913120139.db2.gz ILEQEVMTSVQRBT-LBPRGKRZSA-N 1 2 292.383 1.276 20 30 CDEDLO N#Cc1ccc(Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC001174491383 913162580 /nfs/dbraw/zinc/16/25/80/913162580.db2.gz IIERSNDZZVBSCZ-UHFFFAOYSA-N 1 2 297.362 1.831 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2ccc(F)nc2)CC1 ZINC001175369235 913561262 /nfs/dbraw/zinc/56/12/62/913561262.db2.gz YPAVBWDBBLXJGJ-UHFFFAOYSA-N 1 2 277.343 1.484 20 30 CDEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccncn1)CC2 ZINC001140345020 895839857 /nfs/dbraw/zinc/83/98/57/895839857.db2.gz FZYNZATZWOGYLF-UHFFFAOYSA-N 1 2 250.305 1.907 20 30 CDEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1ccncn1)CC2 ZINC001140345020 895839864 /nfs/dbraw/zinc/83/98/64/895839864.db2.gz FZYNZATZWOGYLF-UHFFFAOYSA-N 1 2 250.305 1.907 20 30 CDEDLO C[C@H]1CCCCN1C(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000092914827 896440258 /nfs/dbraw/zinc/44/02/58/896440258.db2.gz JJRNLKMIMRCORI-LBPRGKRZSA-N 1 2 290.367 1.314 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001267006378 896540001 /nfs/dbraw/zinc/54/00/01/896540001.db2.gz ISDDKUKTFGBXAB-NSHDSACASA-N 1 2 264.329 1.035 20 30 CDEDLO Cc1nc[nH]c1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001204588254 896835421 /nfs/dbraw/zinc/83/54/21/896835421.db2.gz FPGOEUBRONHCSF-UHFFFAOYSA-N 1 2 281.363 1.912 20 30 CDEDLO C#CCCCCC(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001125938502 900085974 /nfs/dbraw/zinc/08/59/74/900085974.db2.gz COQZGWGVZYZMEY-LLVKDONJSA-N 1 2 280.397 1.499 20 30 CDEDLO CN(CC(=O)N(O)C(=N)c1ccccc1N)c1cccc[nH+]1 ZINC001177413305 914673200 /nfs/dbraw/zinc/67/32/00/914673200.db2.gz QGARIYIWDVOWBJ-UHFFFAOYSA-N 1 2 299.334 1.343 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2=CCOCC2)[C@H]1C ZINC001088537458 907624876 /nfs/dbraw/zinc/62/48/76/907624876.db2.gz YVUFHMOYMSQOJZ-YPMHNXCESA-N 1 2 284.787 1.665 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2=CCOCC2)[C@H]1C ZINC001088537458 907624884 /nfs/dbraw/zinc/62/48/84/907624884.db2.gz YVUFHMOYMSQOJZ-YPMHNXCESA-N 1 2 284.787 1.665 20 30 CDEDLO CCCC#CC(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001272109947 908560493 /nfs/dbraw/zinc/56/04/93/908560493.db2.gz UVZUEAMUOBONKI-UHFFFAOYSA-N 1 2 271.364 1.462 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cnc(C)o2)[C@H]1C ZINC001088619631 908586381 /nfs/dbraw/zinc/58/63/81/908586381.db2.gz ULPSTLOFADUXOB-MFKMUULPSA-N 1 2 297.786 1.857 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cnc(C)o2)[C@H]1C ZINC001088619631 908586388 /nfs/dbraw/zinc/58/63/88/908586388.db2.gz ULPSTLOFADUXOB-MFKMUULPSA-N 1 2 297.786 1.857 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)Cc2nocc2C)C1 ZINC001189318247 921426600 /nfs/dbraw/zinc/42/66/00/921426600.db2.gz HWGSGWQOBKTUPG-ZDUSSCGKSA-N 1 2 277.368 1.982 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2nocc2C)C1 ZINC001189318247 921426607 /nfs/dbraw/zinc/42/66/07/921426607.db2.gz HWGSGWQOBKTUPG-ZDUSSCGKSA-N 1 2 277.368 1.982 20 30 CDEDLO Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)C#N)c(C)c(C)[nH+]1 ZINC001093235746 909712227 /nfs/dbraw/zinc/71/22/27/909712227.db2.gz SXJXHBCCZULCKN-NGSVMEPUSA-N 1 2 299.378 1.112 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)C1 ZINC001093500929 909918150 /nfs/dbraw/zinc/91/81/50/909918150.db2.gz CKSRMLZVNNRBPE-SWLSCSKDSA-N 1 2 278.396 1.520 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1c(C)cnn1C ZINC001409611827 910550819 /nfs/dbraw/zinc/55/08/19/910550819.db2.gz RZDXARRNRNIHCJ-LLVKDONJSA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1c(C)cnn1C ZINC001409611827 910550806 /nfs/dbraw/zinc/55/08/06/910550806.db2.gz RZDXARRNRNIHCJ-LLVKDONJSA-N 1 2 284.791 1.531 20 30 CDEDLO COC(=O)CC[C@H]([NH2+][C@H](C)CCCC#N)C(=O)OC ZINC001172480908 911685504 /nfs/dbraw/zinc/68/55/04/911685504.db2.gz XKBGSJMYIMZGDG-MNOVXSKESA-N 1 2 270.329 1.153 20 30 CDEDLO Cc1nc(C#N)cnc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212666501 911740745 /nfs/dbraw/zinc/74/07/45/911740745.db2.gz RSAMAAJRJTVDRZ-UHFFFAOYSA-N 1 2 295.346 1.577 20 30 CDEDLO C=CC[C@@H]([NH2+][C@H]1CCc2ncsc2C1)C(=O)OC ZINC001173130022 912188175 /nfs/dbraw/zinc/18/81/75/912188175.db2.gz VDGGBZKFDIXKHB-GXSJLCMTSA-N 1 2 266.366 1.708 20 30 CDEDLO O=C(C#Cc1cccnc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001177776884 914890914 /nfs/dbraw/zinc/89/09/14/914890914.db2.gz JSNNCPPWYPIGKN-AWEZNQCLSA-N 1 2 280.331 1.562 20 30 CDEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2c(C#N)oc3ccccc32)C1 ZINC001180757657 916612650 /nfs/dbraw/zinc/61/26/50/916612650.db2.gz XGXNOXFSTICRRQ-ZDUSSCGKSA-N 1 2 285.303 1.574 20 30 CDEDLO C[N@H+]1CCO[C@H](C(=O)Nc2c(C#N)oc3ccccc32)C1 ZINC001180757657 916612653 /nfs/dbraw/zinc/61/26/53/916612653.db2.gz XGXNOXFSTICRRQ-ZDUSSCGKSA-N 1 2 285.303 1.574 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cc1Br)C[C@H](O)CO ZINC001137634578 936378820 /nfs/dbraw/zinc/37/88/20/936378820.db2.gz UTZCCADTIZMWQG-NSHDSACASA-N 1 2 299.168 1.106 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cc1Br)C[C@H](O)CO ZINC001137634578 936378825 /nfs/dbraw/zinc/37/88/25/936378825.db2.gz UTZCCADTIZMWQG-NSHDSACASA-N 1 2 299.168 1.106 20 30 CDEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1cncnc1)C2 ZINC001137664071 936384078 /nfs/dbraw/zinc/38/40/78/936384078.db2.gz XQEHGEKMMDHOGI-UHFFFAOYSA-N 1 2 250.305 1.907 20 30 CDEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1cncnc1)C2 ZINC001137664071 936384083 /nfs/dbraw/zinc/38/40/83/936384083.db2.gz XQEHGEKMMDHOGI-UHFFFAOYSA-N 1 2 250.305 1.907 20 30 CDEDLO N#Cc1ccc(F)c(F)c1NC(=O)Cc1cc[nH+]c(N)c1 ZINC001181262878 916949520 /nfs/dbraw/zinc/94/95/20/916949520.db2.gz CCBAEHVQNCCQJZ-UHFFFAOYSA-N 1 2 288.257 1.995 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@]23CCOC3)c(C#N)c1 ZINC001137706649 936393634 /nfs/dbraw/zinc/39/36/34/936393634.db2.gz KZRLATBCQHKQTI-OAHLLOKOSA-N 1 2 258.321 1.932 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@]23CCOC3)c(C#N)c1 ZINC001137706649 936393638 /nfs/dbraw/zinc/39/36/38/936393638.db2.gz KZRLATBCQHKQTI-OAHLLOKOSA-N 1 2 258.321 1.932 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c(F)ccc(F)c2F)CC1 ZINC001137932456 936437030 /nfs/dbraw/zinc/43/70/30/936437030.db2.gz YQSSLDFDJFJNPW-UHFFFAOYSA-N 1 2 268.282 1.855 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCOC(C)(C)C2)CC1 ZINC001182020982 917626875 /nfs/dbraw/zinc/62/68/75/917626875.db2.gz ATNILZNCGXUSJM-CYBMUJFWSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC(C)C)C1 ZINC001107700648 918637772 /nfs/dbraw/zinc/63/77/72/918637772.db2.gz OJYJPUSUSSHVPY-AWEZNQCLSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CC(C)C)C1 ZINC001107700648 918637781 /nfs/dbraw/zinc/63/77/81/918637781.db2.gz OJYJPUSUSSHVPY-AWEZNQCLSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccoc2C)C1 ZINC001107728144 918699626 /nfs/dbraw/zinc/69/96/26/918699626.db2.gz SVPPVSWRYSPVHI-HNNXBMFYSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccoc2C)C1 ZINC001107728144 918699636 /nfs/dbraw/zinc/69/96/36/918699636.db2.gz SVPPVSWRYSPVHI-HNNXBMFYSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)/C(C)=C/C)C1 ZINC001107852317 918885810 /nfs/dbraw/zinc/88/58/10/918885810.db2.gz GRYGGCPKDJKNGE-CYIWUNGXSA-N 1 2 252.358 1.346 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)/C(C)=C/C)C1 ZINC001107852317 918885826 /nfs/dbraw/zinc/88/58/26/918885826.db2.gz GRYGGCPKDJKNGE-CYIWUNGXSA-N 1 2 252.358 1.346 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCC2CCC2)C1 ZINC001107853615 918888568 /nfs/dbraw/zinc/88/85/68/918888568.db2.gz SEIINZZXMQGMDW-QGZVFWFLSA-N 1 2 292.423 1.797 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCC2CCC2)C1 ZINC001107853615 918888578 /nfs/dbraw/zinc/88/85/78/918888578.db2.gz SEIINZZXMQGMDW-QGZVFWFLSA-N 1 2 292.423 1.797 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C=C(CC)CC)C1 ZINC001107864681 918927113 /nfs/dbraw/zinc/92/71/13/918927113.db2.gz YLIAZUHNJCUCNV-KRWDZBQOSA-N 1 2 292.423 1.963 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C=C(CC)CC)C1 ZINC001107864681 918927127 /nfs/dbraw/zinc/92/71/27/918927127.db2.gz YLIAZUHNJCUCNV-KRWDZBQOSA-N 1 2 292.423 1.963 20 30 CDEDLO C=C(CC(=O)OCCCC)C(=O)NCCn1cc[nH+]c1 ZINC001184306463 919013228 /nfs/dbraw/zinc/01/32/28/919013228.db2.gz KQTQASRBBRVRJF-UHFFFAOYSA-N 1 2 279.340 1.289 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(C)CC2)C1 ZINC001107961362 919197389 /nfs/dbraw/zinc/19/73/89/919197389.db2.gz WYMOGGXRNMRGCA-HNNXBMFYSA-N 1 2 264.369 1.017 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(C)CC2)C1 ZINC001107961362 919197399 /nfs/dbraw/zinc/19/73/99/919197399.db2.gz WYMOGGXRNMRGCA-HNNXBMFYSA-N 1 2 264.369 1.017 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ncoc1CC ZINC001050850874 936566055 /nfs/dbraw/zinc/56/60/55/936566055.db2.gz PDGFGJHZMBTYEO-GFCCVEGCSA-N 1 2 293.367 1.244 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ncoc1CC ZINC001050850874 936566057 /nfs/dbraw/zinc/56/60/57/936566057.db2.gz PDGFGJHZMBTYEO-GFCCVEGCSA-N 1 2 293.367 1.244 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2C=CC=CC=C2)C1 ZINC001107976476 919436235 /nfs/dbraw/zinc/43/62/35/919436235.db2.gz NLYMEVUEYTXSJT-KRWDZBQOSA-N 1 2 288.391 1.678 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2C=CC=CC=C2)C1 ZINC001107976476 919436241 /nfs/dbraw/zinc/43/62/41/919436241.db2.gz NLYMEVUEYTXSJT-KRWDZBQOSA-N 1 2 288.391 1.678 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc([C@H]3C[C@@H]3C)nc2)CC1 ZINC001185126341 919438468 /nfs/dbraw/zinc/43/84/68/919438468.db2.gz ISUCMQXQHSBZKE-JSGCOSHPSA-N 1 2 286.379 1.544 20 30 CDEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1nc(C)c[nH]1)CC2 ZINC001138935963 936583277 /nfs/dbraw/zinc/58/32/77/936583277.db2.gz FSKXJGDJGYIRCZ-UHFFFAOYSA-N 1 2 288.395 1.861 20 30 CDEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)CC)c2C1 ZINC001128146235 920079436 /nfs/dbraw/zinc/07/94/36/920079436.db2.gz ZZGLLQMTMGSROK-UHFFFAOYSA-N 1 2 262.357 1.301 20 30 CDEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)CC)c2C1 ZINC001128146235 920079448 /nfs/dbraw/zinc/07/94/48/920079448.db2.gz ZZGLLQMTMGSROK-UHFFFAOYSA-N 1 2 262.357 1.301 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC001078147028 920139953 /nfs/dbraw/zinc/13/99/53/920139953.db2.gz NWGQNPYJGQYTDS-VXGBXAGGSA-N 1 2 280.393 1.326 20 30 CDEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC001078147028 920139961 /nfs/dbraw/zinc/13/99/61/920139961.db2.gz NWGQNPYJGQYTDS-VXGBXAGGSA-N 1 2 280.393 1.326 20 30 CDEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001139687702 936635818 /nfs/dbraw/zinc/63/58/18/936635818.db2.gz VWOOPIJFGWVIOS-SMDDNHRTSA-N 1 2 280.755 1.387 20 30 CDEDLO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001139687702 936635820 /nfs/dbraw/zinc/63/58/20/936635820.db2.gz VWOOPIJFGWVIOS-SMDDNHRTSA-N 1 2 280.755 1.387 20 30 CDEDLO COCCN1CC[NH+](Cc2c[nH]c3c2cccc3C#N)CC1 ZINC001139703086 936638642 /nfs/dbraw/zinc/63/86/42/936638642.db2.gz JSRFWWPHELCWPJ-UHFFFAOYSA-N 1 2 298.390 1.804 20 30 CDEDLO C=CCn1cc(C[N@H+]2C[C@H](F)C[C@@H](CO)C2)cn1 ZINC001139766000 936645142 /nfs/dbraw/zinc/64/51/42/936645142.db2.gz JOYFTNOSCCTPEN-DGCLKSJQSA-N 1 2 253.321 1.221 20 30 CDEDLO C=CCn1cc(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)cn1 ZINC001139766000 936645143 /nfs/dbraw/zinc/64/51/43/936645143.db2.gz JOYFTNOSCCTPEN-DGCLKSJQSA-N 1 2 253.321 1.221 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc3ccccc3n2C)CC1 ZINC001139871368 936654929 /nfs/dbraw/zinc/65/49/29/936654929.db2.gz AWUNEPKQVJECDD-UHFFFAOYSA-N 1 2 267.376 1.929 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(F)CCCC2)C1 ZINC001108041809 920949673 /nfs/dbraw/zinc/94/96/73/920949673.db2.gz BHONLFFXCRXDOV-OAHLLOKOSA-N 1 2 296.386 1.499 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2(F)CCCC2)C1 ZINC001108041809 920949682 /nfs/dbraw/zinc/94/96/82/920949682.db2.gz BHONLFFXCRXDOV-OAHLLOKOSA-N 1 2 296.386 1.499 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC2(C)CC2)C1 ZINC001108081553 921957269 /nfs/dbraw/zinc/95/72/69/921957269.db2.gz ZGFURWYERLOMJQ-HNNXBMFYSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CC2(C)CC2)C1 ZINC001108081553 921957280 /nfs/dbraw/zinc/95/72/80/921957280.db2.gz ZGFURWYERLOMJQ-HNNXBMFYSA-N 1 2 266.385 1.570 20 30 CDEDLO COC[C@@H]1Cn2ccnc2C[N@H+](Cc2ccc(C#N)nc2)C1 ZINC001140541361 936722254 /nfs/dbraw/zinc/72/22/54/936722254.db2.gz FWSTZKAZEKGXRO-AWEZNQCLSA-N 1 2 297.362 1.428 20 30 CDEDLO COC[C@@H]1Cn2ccnc2C[N@@H+](Cc2ccc(C#N)nc2)C1 ZINC001140541361 936722255 /nfs/dbraw/zinc/72/22/55/936722255.db2.gz FWSTZKAZEKGXRO-AWEZNQCLSA-N 1 2 297.362 1.428 20 30 CDEDLO C=CCC1(S(=O)(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC1 ZINC001190793668 922203554 /nfs/dbraw/zinc/20/35/54/922203554.db2.gz HSNDLIAZFVABFP-TXEJJXNPSA-N 1 2 272.414 1.449 20 30 CDEDLO C=CCC1(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CC1 ZINC001190793668 922203560 /nfs/dbraw/zinc/20/35/60/922203560.db2.gz HSNDLIAZFVABFP-TXEJJXNPSA-N 1 2 272.414 1.449 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC2CCC2)[C@H](O)C1 ZINC001090167475 922426387 /nfs/dbraw/zinc/42/63/87/922426387.db2.gz VSFOINVEKRNPNV-CHWSQXEVSA-N 1 2 286.803 1.481 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC2CCC2)[C@H](O)C1 ZINC001090167475 922426392 /nfs/dbraw/zinc/42/63/92/922426392.db2.gz VSFOINVEKRNPNV-CHWSQXEVSA-N 1 2 286.803 1.481 20 30 CDEDLO Cc1ccc(C(=NO)NC(=O)c2cc3c[nH+]ccc3[nH]2)nc1 ZINC001151976887 922776344 /nfs/dbraw/zinc/77/63/44/922776344.db2.gz VHOJBWNWYDQOEO-UHFFFAOYSA-N 1 2 295.302 1.832 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001108153956 922804213 /nfs/dbraw/zinc/80/42/13/922804213.db2.gz VHLQGIHHXIDDBA-WBTNSWJXSA-N 1 2 290.407 1.263 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001108153956 922804232 /nfs/dbraw/zinc/80/42/32/922804232.db2.gz VHLQGIHHXIDDBA-WBTNSWJXSA-N 1 2 290.407 1.263 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C)o2)C1 ZINC001035285657 922957574 /nfs/dbraw/zinc/95/75/74/922957574.db2.gz CPBAMXJVWZWHSN-ZDUSSCGKSA-N 1 2 276.336 1.042 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C)o2)C1 ZINC001035285657 922957586 /nfs/dbraw/zinc/95/75/86/922957586.db2.gz CPBAMXJVWZWHSN-ZDUSSCGKSA-N 1 2 276.336 1.042 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC2CC2)[C@H](O)C1 ZINC001099749175 936805576 /nfs/dbraw/zinc/80/55/76/936805576.db2.gz HBIZOPUXTYYJNC-QWHCGFSZSA-N 1 2 286.803 1.481 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC2CC2)[C@H](O)C1 ZINC001099749175 936805577 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WNTZLVBGGSTBEP-CYBMUJFWSA-N 1 2 289.379 1.797 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(OC)c1 ZINC001085942791 926527127 /nfs/dbraw/zinc/52/71/27/926527127.db2.gz QXGAWQFNPJNXIP-CQSZACIVSA-N 1 2 272.348 1.475 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(OC)c1 ZINC001085942791 926527119 /nfs/dbraw/zinc/52/71/19/926527119.db2.gz QXGAWQFNPJNXIP-CQSZACIVSA-N 1 2 272.348 1.475 20 30 CDEDLO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001490556695 927230023 /nfs/dbraw/zinc/23/00/23/927230023.db2.gz AGFIVDXJRVYRKL-OLZOCXBDSA-N 1 2 291.399 1.108 20 30 CDEDLO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001490556695 927230032 /nfs/dbraw/zinc/23/00/32/927230032.db2.gz AGFIVDXJRVYRKL-OLZOCXBDSA-N 1 2 291.399 1.108 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@]2(C)CCCOC2)C1 ZINC001108310769 927382118 /nfs/dbraw/zinc/38/21/18/927382118.db2.gz RTNUWVQEXRBJQM-JKSUJKDBSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@]2(C)CCCOC2)C1 ZINC001108310769 927382135 /nfs/dbraw/zinc/38/21/35/927382135.db2.gz RTNUWVQEXRBJQM-JKSUJKDBSA-N 1 2 296.411 1.196 20 30 CDEDLO Cc1nc(NC[C@H](C)NC(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001108358828 927436501 /nfs/dbraw/zinc/43/65/01/927436501.db2.gz SKGMZVMWVIDFGS-NSHDSACASA-N 1 2 274.368 1.751 20 30 CDEDLO C=C[C@@H]1C[C@]1([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)OCC ZINC001168983660 927571668 /nfs/dbraw/zinc/57/16/68/927571668.db2.gz KIPBYPBJLKSPFN-KZVDOYCCSA-N 1 2 282.340 1.529 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 ZINC001149401367 937177087 /nfs/dbraw/zinc/17/70/87/937177087.db2.gz ZTXABUZPOCGUTK-JQWIXIFHSA-N 1 2 285.775 1.106 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)C#N)C1 ZINC001149401367 937177089 /nfs/dbraw/zinc/17/70/89/937177089.db2.gz ZTXABUZPOCGUTK-JQWIXIFHSA-N 1 2 285.775 1.106 20 30 CDEDLO C[C@H](CNC(=O)Cn1cc[nH+]c1)CNc1ccc(C#N)cn1 ZINC001104002188 937184186 /nfs/dbraw/zinc/18/41/86/937184186.db2.gz MQARRWFLAZYXNP-LBPRGKRZSA-N 1 2 298.350 1.014 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncccn1)C2 ZINC001111666934 937216994 /nfs/dbraw/zinc/21/69/94/937216994.db2.gz PJNHQMLDACSXIH-XEZPLFJOSA-N 1 2 299.378 1.107 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncccn1)C2 ZINC001111666934 937216995 /nfs/dbraw/zinc/21/69/95/937216995.db2.gz PJNHQMLDACSXIH-XEZPLFJOSA-N 1 2 299.378 1.107 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccnc3[nH]ccc32)CC1 ZINC001150965741 937259909 /nfs/dbraw/zinc/25/99/09/937259909.db2.gz FORLYSZWAQQZLY-UHFFFAOYSA-N 1 2 270.336 1.458 20 30 CDEDLO Cc1nc(N2CC[C@@](C)(NC(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001110736046 928755768 /nfs/dbraw/zinc/75/57/68/928755768.db2.gz QQKNGXNWPPWVDL-QMTHXVAHSA-N 1 2 273.340 1.030 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](OC)C1CC1)C2 ZINC001109226496 928842698 /nfs/dbraw/zinc/84/26/98/928842698.db2.gz SXPANTBNDMYDHN-RFGFWPKPSA-N 1 2 298.814 1.885 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](OC)C1CC1)C2 ZINC001109226496 928842709 /nfs/dbraw/zinc/84/27/09/928842709.db2.gz SXPANTBNDMYDHN-RFGFWPKPSA-N 1 2 298.814 1.885 20 30 CDEDLO Cc1nc(NC[C@@H](NC(=O)[C@@H](C)C#N)C2CC2)cc[nH+]1 ZINC001109795260 929052267 /nfs/dbraw/zinc/05/22/67/929052267.db2.gz ANPCNHNQRARALB-JOYOIKCWSA-N 1 2 273.340 1.251 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccnc3c2ccn3C)CC1 ZINC001151786684 937306897 /nfs/dbraw/zinc/30/68/97/937306897.db2.gz DRMRNSWEILWBAB-UHFFFAOYSA-N 1 2 284.363 1.517 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)[C@@H](C)COC)CC1 ZINC001112944929 929593101 /nfs/dbraw/zinc/59/31/01/929593101.db2.gz PYDLSGZUMOTXOR-QWHCGFSZSA-N 1 2 254.374 1.235 20 30 CDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2COCCOC ZINC001273995906 930709992 /nfs/dbraw/zinc/70/99/92/930709992.db2.gz PXPOLTMHUXOJJP-ZIAGYGMSSA-N 1 2 282.384 1.248 20 30 CDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2COCCOC ZINC001273995906 930709999 /nfs/dbraw/zinc/70/99/99/930709999.db2.gz PXPOLTMHUXOJJP-ZIAGYGMSSA-N 1 2 282.384 1.248 20 30 CDEDLO CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC#N ZINC001274030725 931130595 /nfs/dbraw/zinc/13/05/95/931130595.db2.gz VRFQRQQXEOHTMZ-CHWSQXEVSA-N 1 2 265.357 1.002 20 30 CDEDLO CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC#N ZINC001274030725 931130600 /nfs/dbraw/zinc/13/06/00/931130600.db2.gz VRFQRQQXEOHTMZ-CHWSQXEVSA-N 1 2 265.357 1.002 20 30 CDEDLO COc1ncc(C[NH+]2CCN(CCC#N)CC2)cc1C ZINC001137004462 931495142 /nfs/dbraw/zinc/49/51/42/931495142.db2.gz AIABXGAAUUYIGF-UHFFFAOYSA-N 1 2 274.368 1.430 20 30 CDEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cnc(C)[nH]1)CC2 ZINC001274576695 931510151 /nfs/dbraw/zinc/51/01/51/931510151.db2.gz QSIPUIQKWMUFAV-AWEZNQCLSA-N 1 2 286.379 1.070 20 30 CDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c[nH]c(C)n1 ZINC001274576918 931510196 /nfs/dbraw/zinc/51/01/96/931510196.db2.gz SFKBLRLAXOWHRK-HUUCEWRRSA-N 1 2 288.395 1.860 20 30 CDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c[nH]c(C)n1 ZINC001274576918 931510198 /nfs/dbraw/zinc/51/01/98/931510198.db2.gz SFKBLRLAXOWHRK-HUUCEWRRSA-N 1 2 288.395 1.860 20 30 CDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cnc(C)[nH]1 ZINC001274576918 931510200 /nfs/dbraw/zinc/51/02/00/931510200.db2.gz SFKBLRLAXOWHRK-HUUCEWRRSA-N 1 2 288.395 1.860 20 30 CDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cnc(C)[nH]1 ZINC001274576918 931510201 /nfs/dbraw/zinc/51/02/01/931510201.db2.gz SFKBLRLAXOWHRK-HUUCEWRRSA-N 1 2 288.395 1.860 20 30 CDEDLO C=CCC[C@@H](O)C[NH+]1CC2(C1)CN([C@H](C)CC)C(=O)CO2 ZINC001274621833 931523254 /nfs/dbraw/zinc/52/32/54/931523254.db2.gz XYVRZFQCPPQTIT-ZIAGYGMSSA-N 1 2 296.411 1.025 20 30 CDEDLO C[N@@H+]1CCC12CN(C(=O)c1ccc(C#N)cc1F)C2 ZINC001274855072 931594512 /nfs/dbraw/zinc/59/45/12/931594512.db2.gz KASCWIDNIOXDEP-UHFFFAOYSA-N 1 2 259.284 1.227 20 30 CDEDLO C[N@H+]1CCC12CN(C(=O)c1ccc(C#N)cc1F)C2 ZINC001274855072 931594517 /nfs/dbraw/zinc/59/45/17/931594517.db2.gz KASCWIDNIOXDEP-UHFFFAOYSA-N 1 2 259.284 1.227 20 30 CDEDLO CN1C[C@@H]2C[N@@H+](Cc3c[nH]c4c3cccc4C#N)C[C@H](C1)O2 ZINC001275367376 931752355 /nfs/dbraw/zinc/75/23/55/931752355.db2.gz KFTKDLAXJMWBEL-GASCZTMLSA-N 1 2 296.374 1.554 20 30 CDEDLO CN1C[C@@H]2C[N@H+](Cc3c[nH]c4c3cccc4C#N)C[C@H](C1)O2 ZINC001275367376 931752360 /nfs/dbraw/zinc/75/23/60/931752360.db2.gz KFTKDLAXJMWBEL-GASCZTMLSA-N 1 2 296.374 1.554 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1c(Cl)ncn1CC)[C@@H]1CCCO1 ZINC001308378557 931805115 /nfs/dbraw/zinc/80/51/15/931805115.db2.gz ZHUHQDJAPOTWQV-PWSUYJOCSA-N 1 2 267.760 1.827 20 30 CDEDLO C[C@H](CC#N)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001411777408 932012668 /nfs/dbraw/zinc/01/26/68/932012668.db2.gz IKDZCBGAOWQRDM-SNVBAGLBSA-N 1 2 270.292 1.610 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)CCC)C1 ZINC001149013652 932822542 /nfs/dbraw/zinc/82/25/42/932822542.db2.gz JFPZZCFCPZUTFZ-GFCCVEGCSA-N 1 2 274.792 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)CCC)C1 ZINC001149013652 932822546 /nfs/dbraw/zinc/82/25/46/932822546.db2.gz JFPZZCFCPZUTFZ-GFCCVEGCSA-N 1 2 274.792 1.746 20 30 CDEDLO COc1c[nH+]c(N[C@@H]2C(=O)N(O)C[C@@H]2C)c2[nH]ccc21 ZINC001171362312 932864343 /nfs/dbraw/zinc/86/43/43/932864343.db2.gz BKCFMWJIJAUFQC-XVKPBYJWSA-N 1 2 276.296 1.220 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNc2ncc(CC#N)cc2Cl)C1 ZINC001155201504 937648344 /nfs/dbraw/zinc/64/83/44/937648344.db2.gz GHHRRXNXPQRGPJ-NSHDSACASA-N 1 2 280.759 1.544 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNc2ncc(CC#N)cc2Cl)C1 ZINC001155201504 937648346 /nfs/dbraw/zinc/64/83/46/937648346.db2.gz GHHRRXNXPQRGPJ-NSHDSACASA-N 1 2 280.759 1.544 20 30 CDEDLO C=CC[C@@](C)([NH2+][C@@H](C)CCC(=O)OC)C(=O)OC ZINC001258364911 934820131 /nfs/dbraw/zinc/82/01/31/934820131.db2.gz UGRKGYXYYIKHNT-GXFFZTMASA-N 1 2 257.330 1.426 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccsn1 ZINC001017650541 935644933 /nfs/dbraw/zinc/64/49/33/935644933.db2.gz QLGTUFMIYATYGG-TXEJJXNPSA-N 1 2 275.377 1.455 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccsn1 ZINC001017650541 935644935 /nfs/dbraw/zinc/64/49/35/935644935.db2.gz QLGTUFMIYATYGG-TXEJJXNPSA-N 1 2 275.377 1.455 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCO[C@H](C)C2)C1 ZINC001044104523 935852011 /nfs/dbraw/zinc/85/20/11/935852011.db2.gz RAIKCGCJJWDASM-VXGBXAGGSA-N 1 2 252.358 1.130 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097014358 936256219 /nfs/dbraw/zinc/25/62/19/936256219.db2.gz SFCATLDDVAWAFF-HUBLWGQQSA-N 1 2 290.367 1.171 20 30 CDEDLO Cn1c[nH+]cc1C1CCN(C(=O)C#CC2CC2)CC1 ZINC001124044116 936275349 /nfs/dbraw/zinc/27/53/49/936275349.db2.gz PLZHEAJSYVSUJW-UHFFFAOYSA-N 1 2 257.337 1.540 20 30 CDEDLO C[C@H]1CCCN(c2cc(N3CC[NH2+]C[C@@H]3C#N)ncn2)C1 ZINC001156333293 938353455 /nfs/dbraw/zinc/35/34/55/938353455.db2.gz ZVGWPUTYFGRMBL-STQMWFEESA-N 1 2 286.383 1.015 20 30 CDEDLO CCc1nc(C#N)c(NC[C@H]2C[N@H+](C)CCO2)nc1Cl ZINC001162682601 939115462 /nfs/dbraw/zinc/11/54/62/939115462.db2.gz DSPIQTJKUBNKEF-VIFPVBQESA-N 1 2 295.774 1.307 20 30 CDEDLO CCc1nc(C#N)c(NC[C@H]2C[N@@H+](C)CCO2)nc1Cl ZINC001162682601 939115464 /nfs/dbraw/zinc/11/54/64/939115464.db2.gz DSPIQTJKUBNKEF-VIFPVBQESA-N 1 2 295.774 1.307 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNc2c[nH]c3c(C#N)cnc-3c2)C1 ZINC001162689217 939118311 /nfs/dbraw/zinc/11/83/11/939118311.db2.gz ACSSEQALKFDYJU-LBPRGKRZSA-N 1 2 271.324 1.177 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNc2c[nH]c3c(C#N)cnc-3c2)C1 ZINC001162689217 939118314 /nfs/dbraw/zinc/11/83/14/939118314.db2.gz ACSSEQALKFDYJU-LBPRGKRZSA-N 1 2 271.324 1.177 20 30 CDEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCn4cnnc4C3)c12 ZINC001163680773 939307539 /nfs/dbraw/zinc/30/75/39/939307539.db2.gz XXNOCPPXLOVPJA-UHFFFAOYSA-N 1 2 265.280 1.046 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001164213801 939431031 /nfs/dbraw/zinc/43/10/31/939431031.db2.gz NJBMMPMXTAMNON-RYUDHWBXSA-N 1 2 294.399 1.686 20 30 CDEDLO N#Cc1nc(Cl)cnc1N1CC[NH2+]CC(F)(F)C1 ZINC001164488241 939478196 /nfs/dbraw/zinc/47/81/96/939478196.db2.gz ARHYHSLMSFFWSA-UHFFFAOYSA-N 1 2 273.674 1.047 20 30 CDEDLO N#Cc1cnc(N2CC[NH2+]CC(F)(F)C2)c(Cl)c1 ZINC001164488842 939478309 /nfs/dbraw/zinc/47/83/09/939478309.db2.gz NCHGYEUJCGQVBJ-UHFFFAOYSA-N 1 2 272.686 1.652 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(N3CCOC[C@H](O)C3)c2c1 ZINC001164506891 939480693 /nfs/dbraw/zinc/48/06/93/939480693.db2.gz IKCCGRFGXACPSM-CYBMUJFWSA-N 1 2 269.304 1.304 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC(F)(F)[C@H](N)C2)c(O)c1 ZINC001206682846 939498918 /nfs/dbraw/zinc/49/89/18/939498918.db2.gz GEZHVAJWIANIAQ-GFCCVEGCSA-N 1 2 267.279 1.432 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC(F)(F)[C@H](N)C2)c(O)c1 ZINC001206682846 939498920 /nfs/dbraw/zinc/49/89/20/939498920.db2.gz GEZHVAJWIANIAQ-GFCCVEGCSA-N 1 2 267.279 1.432 20 30 CDEDLO C#Cc1cc(Nc2ccccc2CC(=O)OC)cc[nH+]1 ZINC001213055619 939575534 /nfs/dbraw/zinc/57/55/34/939575534.db2.gz LMURSMXLQHRIHD-UHFFFAOYSA-N 1 2 266.300 1.944 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(C(F)(F)F)nc2)CC1 ZINC001205440624 939890534 /nfs/dbraw/zinc/89/05/34/939890534.db2.gz FQQCRTOWOGMEIM-UHFFFAOYSA-N 1 2 283.297 1.851 20 30 CDEDLO Nc1ccccc1C(NO)=[NH+]c1cnn(C2COC2)c1 ZINC001205577779 939905617 /nfs/dbraw/zinc/90/56/17/939905617.db2.gz VJVNITUXTYJPHE-UHFFFAOYSA-N 1 2 273.296 1.094 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2nccc(C)n2)C[C@H]1C ZINC001206490047 940049302 /nfs/dbraw/zinc/04/93/02/940049302.db2.gz GSWLUOVZTKSOPP-TZMCWYRMSA-N 1 2 288.395 1.688 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2nccc(C)n2)C[C@H]1C ZINC001206490047 940049305 /nfs/dbraw/zinc/04/93/05/940049305.db2.gz GSWLUOVZTKSOPP-TZMCWYRMSA-N 1 2 288.395 1.688 20 30 CDEDLO N#Cc1ncncc1-c1ccc(C[NH+]2CCOCC2)cc1F ZINC001206712577 940080745 /nfs/dbraw/zinc/08/07/45/940080745.db2.gz UUYAKGIBYFWDND-UHFFFAOYSA-N 1 2 298.321 1.987 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](O)C(C)C)C1 ZINC001206928296 940112808 /nfs/dbraw/zinc/11/28/08/940112808.db2.gz PRESJDYSBXINSS-YUSALJHKSA-N 1 2 274.792 1.192 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](O)C(C)C)C1 ZINC001206928296 940112811 /nfs/dbraw/zinc/11/28/11/940112811.db2.gz PRESJDYSBXINSS-YUSALJHKSA-N 1 2 274.792 1.192 20 30 CDEDLO COC(=O)[C@H](C)C[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001208715681 940374275 /nfs/dbraw/zinc/37/42/75/940374275.db2.gz UAJXFKGBWHIVKM-SCZZXKLOSA-N 1 2 255.339 1.070 20 30 CDEDLO COC(=O)[C@H](C)C[N@H+]1CCC2SC(=O)C=C2C1 ZINC001208715681 940374281 /nfs/dbraw/zinc/37/42/81/940374281.db2.gz UAJXFKGBWHIVKM-SCZZXKLOSA-N 1 2 255.339 1.070 20 30 CDEDLO COC(=O)[C@H](C)C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001208715681 940374283 /nfs/dbraw/zinc/37/42/83/940374283.db2.gz UAJXFKGBWHIVKM-SCZZXKLOSA-N 1 2 255.339 1.070 20 30 CDEDLO COC(=O)[C@H](C)C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001208715681 940374285 /nfs/dbraw/zinc/37/42/85/940374285.db2.gz UAJXFKGBWHIVKM-SCZZXKLOSA-N 1 2 255.339 1.070 20 30 CDEDLO N#Cc1ccc(Nc2ccc(N3CC[C@H](O)C3)[nH+]c2)cn1 ZINC001209544870 940603928 /nfs/dbraw/zinc/60/39/28/940603928.db2.gz RFNNSJDJXXQQMD-AWEZNQCLSA-N 1 2 281.319 1.663 20 30 CDEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001213269414 940765161 /nfs/dbraw/zinc/76/51/61/940765161.db2.gz OITQOEYYLCQCHZ-ZIAGYGMSSA-N 1 2 284.375 1.355 20 30 CDEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001213269414 940765163 /nfs/dbraw/zinc/76/51/63/940765163.db2.gz OITQOEYYLCQCHZ-ZIAGYGMSSA-N 1 2 284.375 1.355 20 30 CDEDLO C#Cc1cc(Nc2cc(F)c(CO)c(F)c2)cc[nH+]1 ZINC001214022308 940793749 /nfs/dbraw/zinc/79/37/49/940793749.db2.gz QHHQHTRQVQOKQV-UHFFFAOYSA-N 1 2 260.243 1.999 20 30 CDEDLO C#Cc1cc(Nc2cnn([C@@H](C)C(=O)OCC)c2)cc[nH+]1 ZINC001216689618 940959182 /nfs/dbraw/zinc/95/91/82/940959182.db2.gz RHAWMQNQHFSXMT-NSHDSACASA-N 1 2 284.319 1.549 20 30 CDEDLO C=C1CC[NH2+]C[C@H]1Oc1[nH]c(=O)nc2ccccc21 ZINC001218203789 941044191 /nfs/dbraw/zinc/04/41/91/941044191.db2.gz ILHVFNMRSRFCKH-GFCCVEGCSA-N 1 2 257.293 1.632 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)s2)C[C@@H]1O ZINC001219333147 941331705 /nfs/dbraw/zinc/33/17/05/941331705.db2.gz QVTFCUFNCOGMKZ-OLZOCXBDSA-N 1 2 295.408 1.079 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)s2)C[C@@H]1O ZINC001219333147 941331707 /nfs/dbraw/zinc/33/17/07/941331707.db2.gz QVTFCUFNCOGMKZ-OLZOCXBDSA-N 1 2 295.408 1.079 20 30 CDEDLO N#CCc1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000313461906 941383151 /nfs/dbraw/zinc/38/31/51/941383151.db2.gz MEJKKTVPUFGFAB-UHFFFAOYSA-N 1 2 254.293 1.978 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]2CC[N@H+](Cc3cnon3)[C@H]2C1 ZINC001222432537 941594618 /nfs/dbraw/zinc/59/46/18/941594618.db2.gz TTXZQBKPUHELEZ-OCCSQVGLSA-N 1 2 290.367 1.459 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3cnon3)[C@H]2C1 ZINC001222432537 941594620 /nfs/dbraw/zinc/59/46/20/941594620.db2.gz TTXZQBKPUHELEZ-OCCSQVGLSA-N 1 2 290.367 1.459 20 30 CDEDLO COCC[N@@H+]1CC[C@H]2C[C@]21C(=O)Nc1cc(C)ccc1C#N ZINC001276889860 941676044 /nfs/dbraw/zinc/67/60/44/941676044.db2.gz NWLUAOUMNXHUEH-WMLDXEAASA-N 1 2 299.374 1.916 20 30 CDEDLO COCC[N@H+]1CC[C@H]2C[C@]21C(=O)Nc1cc(C)ccc1C#N ZINC001276889860 941676046 /nfs/dbraw/zinc/67/60/46/941676046.db2.gz NWLUAOUMNXHUEH-WMLDXEAASA-N 1 2 299.374 1.916 20 30 CDEDLO CN(C)C(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1cc(F)cc(C#N)c1 ZINC001277126948 942001509 /nfs/dbraw/zinc/00/15/09/942001509.db2.gz UVKQBJNWRGZKRJ-XJKSGUPXSA-N 1 2 287.338 1.750 20 30 CDEDLO CN(C)C(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1cc(F)cc(C#N)c1 ZINC001277126948 942001513 /nfs/dbraw/zinc/00/15/13/942001513.db2.gz UVKQBJNWRGZKRJ-XJKSGUPXSA-N 1 2 287.338 1.750 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc4ccc(F)cc4o3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226456015 942007250 /nfs/dbraw/zinc/00/72/50/942007250.db2.gz SQAZPKRRKGKOFN-LSVRBPJHSA-N 1 2 290.294 1.958 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc4ccc(F)cc4o3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226456015 942007251 /nfs/dbraw/zinc/00/72/51/942007251.db2.gz SQAZPKRRKGKOFN-LSVRBPJHSA-N 1 2 290.294 1.958 20 30 CDEDLO Cc1ccnc(C[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)n1 ZINC001226618160 942036571 /nfs/dbraw/zinc/03/65/71/942036571.db2.gz ZDAYFXDQHAADAA-NSHDSACASA-N 1 2 287.367 1.025 20 30 CDEDLO Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)n1 ZINC001226647664 942041336 /nfs/dbraw/zinc/04/13/36/942041336.db2.gz CZAKMDJNBXAMAN-VHSXEESVSA-N 1 2 291.355 1.179 20 30 CDEDLO C#CCCCC(=O)NC1CC[NH+](Cc2coc(C)n2)CC1 ZINC001227084753 942129434 /nfs/dbraw/zinc/12/94/34/942129434.db2.gz ICPQIRFWBWQAHH-UHFFFAOYSA-N 1 2 289.379 1.867 20 30 CDEDLO CC(C)[NH+]1CC(Oc2ccc(Cl)cc2C(=O)NO)C1 ZINC001227175565 942144984 /nfs/dbraw/zinc/14/49/84/942144984.db2.gz VZHVPZXVUUZITM-UHFFFAOYSA-N 1 2 284.743 1.930 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ncc(C#N)cc1Cl ZINC001362092568 970877383 /nfs/dbraw/zinc/87/73/83/970877383.db2.gz WRAJBQMFUBLXDS-VIFPVBQESA-N 1 2 289.726 1.622 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nnccc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227793151 942225975 /nfs/dbraw/zinc/22/59/75/942225975.db2.gz YKAGKODUSQWODF-FRQULTQSSA-N 1 2 267.716 1.121 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nnccc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227793151 942225977 /nfs/dbraw/zinc/22/59/77/942225977.db2.gz YKAGKODUSQWODF-FRQULTQSSA-N 1 2 267.716 1.121 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3c(F)cc(C#N)cc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228075881 942265292 /nfs/dbraw/zinc/26/52/92/942265292.db2.gz DRTGKAUUGCBBGE-QCRWRKDUSA-N 1 2 292.285 1.828 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3c(F)cc(C#N)cc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228075881 942265294 /nfs/dbraw/zinc/26/52/94/942265294.db2.gz DRTGKAUUGCBBGE-QCRWRKDUSA-N 1 2 292.285 1.828 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1NCC#N ZINC001229037672 942410361 /nfs/dbraw/zinc/41/03/61/942410361.db2.gz NKPISBIXRRQZCC-MRVWCRGKSA-N 1 2 289.383 1.129 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1NCC#N ZINC001229037672 942410363 /nfs/dbraw/zinc/41/03/63/942410363.db2.gz NKPISBIXRRQZCC-MRVWCRGKSA-N 1 2 289.383 1.129 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(F)CCCC1 ZINC001316600089 942410940 /nfs/dbraw/zinc/41/09/40/942410940.db2.gz ZGCHSIJJDQMGAC-LBPRGKRZSA-N 1 2 252.333 1.435 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(F)CCCC1 ZINC001316600089 942410943 /nfs/dbraw/zinc/41/09/43/942410943.db2.gz ZGCHSIJJDQMGAC-LBPRGKRZSA-N 1 2 252.333 1.435 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(F)c(F)cc3C#N)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229838652 942539883 /nfs/dbraw/zinc/53/98/83/942539883.db2.gz WRSPIRLGAGSSSQ-QCRWRKDUSA-N 1 2 292.285 1.828 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(F)c(F)cc3C#N)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229838652 942539890 /nfs/dbraw/zinc/53/98/90/942539890.db2.gz WRSPIRLGAGSSSQ-QCRWRKDUSA-N 1 2 292.285 1.828 20 30 CDEDLO COC(=O)C[C@H](C#N)c1ccc(OC2C[NH+](C)C2)cc1 ZINC001230992675 942753643 /nfs/dbraw/zinc/75/36/43/942753643.db2.gz VRUXFACBNBGWKH-GFCCVEGCSA-N 1 2 274.320 1.550 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001231247224 942831158 /nfs/dbraw/zinc/83/11/58/942831158.db2.gz LUZDZUKGSFVNIL-RDJZCZTQSA-N 1 2 295.386 1.730 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001231247224 942831165 /nfs/dbraw/zinc/83/11/65/942831165.db2.gz LUZDZUKGSFVNIL-RDJZCZTQSA-N 1 2 295.386 1.730 20 30 CDEDLO Cc1nocc1C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231249074 942833488 /nfs/dbraw/zinc/83/34/88/942833488.db2.gz YLABUPJKYMIRKG-ZWNOBZJWSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1nocc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231249074 942833495 /nfs/dbraw/zinc/83/34/95/942833495.db2.gz YLABUPJKYMIRKG-ZWNOBZJWSA-N 1 2 276.340 1.175 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cccnc1 ZINC001231249123 942834451 /nfs/dbraw/zinc/83/44/51/942834451.db2.gz YUKSISIMFAXJQE-TZMCWYRMSA-N 1 2 272.352 1.274 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cccnc1 ZINC001231249123 942834458 /nfs/dbraw/zinc/83/44/58/942834458.db2.gz YUKSISIMFAXJQE-TZMCWYRMSA-N 1 2 272.352 1.274 20 30 CDEDLO COc1cc(C#N)ccc1CN1CC([N@@H+]2CC[C@H](F)C2)C1 ZINC001231619879 942945445 /nfs/dbraw/zinc/94/54/45/942945445.db2.gz KYQQHCUIJZWYAB-AWEZNQCLSA-N 1 2 289.354 1.795 20 30 CDEDLO COc1cc(C#N)ccc1CN1CC([N@H+]2CC[C@H](F)C2)C1 ZINC001231619879 942945447 /nfs/dbraw/zinc/94/54/47/942945447.db2.gz KYQQHCUIJZWYAB-AWEZNQCLSA-N 1 2 289.354 1.795 20 30 CDEDLO C#CCN1CC[NH+](Cc2cn(C)nc2C2CC2)CC1 ZINC001232175338 943160119 /nfs/dbraw/zinc/16/01/19/943160119.db2.gz XXGUABCRJPMHRN-UHFFFAOYSA-N 1 2 258.369 1.048 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cn(C)nc2C2CC2)CC1 ZINC001232175338 943160121 /nfs/dbraw/zinc/16/01/21/943160121.db2.gz XXGUABCRJPMHRN-UHFFFAOYSA-N 1 2 258.369 1.048 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccnc(C(F)(F)F)c2)CC1 ZINC001232240739 943179824 /nfs/dbraw/zinc/17/98/24/943179824.db2.gz PKXSDNIAILDOBP-UHFFFAOYSA-N 1 2 283.297 1.851 20 30 CDEDLO CCOC(=O)C1CC[NH+](Cc2cc(C#N)ccn2)CC1 ZINC001232477973 943291803 /nfs/dbraw/zinc/29/18/03/943291803.db2.gz QNBDBLYUYMPDBA-UHFFFAOYSA-N 1 2 273.336 1.728 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cc3ccoc3cn2)CC1 ZINC001232553484 943325949 /nfs/dbraw/zinc/32/59/49/943325949.db2.gz VTQJLTSKDMHQKN-UHFFFAOYSA-N 1 2 270.336 1.859 20 30 CDEDLO N#Cc1ccc(O)c(C[NH+]2CCN(c3ncccn3)CC2)c1 ZINC001232674054 943356538 /nfs/dbraw/zinc/35/65/38/943356538.db2.gz RAHKGMUVASDSNW-UHFFFAOYSA-N 1 2 295.346 1.376 20 30 CDEDLO CC(=O)N1CCC[C@H]([N@H+](C)Cc2cc(C#N)ccc2O)C1 ZINC001232678357 943358799 /nfs/dbraw/zinc/35/87/99/943358799.db2.gz WJTPFFZAYPVNFU-HNNXBMFYSA-N 1 2 287.363 1.707 20 30 CDEDLO CC(=O)N1CCC[C@H]([N@@H+](C)Cc2cc(C#N)ccc2O)C1 ZINC001232678357 943358804 /nfs/dbraw/zinc/35/88/04/943358804.db2.gz WJTPFFZAYPVNFU-HNNXBMFYSA-N 1 2 287.363 1.707 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@H]1CC[N@@H+]1C/C=C/Cl ZINC001233935152 943693662 /nfs/dbraw/zinc/69/36/62/943693662.db2.gz AWZCPXJXNOLTFB-FROLJDDGSA-N 1 2 286.803 1.599 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@H]1CC[N@H+]1C/C=C/Cl ZINC001233935152 943693664 /nfs/dbraw/zinc/69/36/64/943693664.db2.gz AWZCPXJXNOLTFB-FROLJDDGSA-N 1 2 286.803 1.599 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@H]2CN(C)C(=O)C#CC2CC2)on1 ZINC001234177638 943764571 /nfs/dbraw/zinc/76/45/71/943764571.db2.gz CKDABMDLMKTIEN-AWEZNQCLSA-N 1 2 287.363 1.429 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@H]2CN(C)C(=O)C#CC2CC2)on1 ZINC001234177638 943764574 /nfs/dbraw/zinc/76/45/74/943764574.db2.gz CKDABMDLMKTIEN-AWEZNQCLSA-N 1 2 287.363 1.429 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2ccccc2C=NO)C1 ZINC001234820663 943954643 /nfs/dbraw/zinc/95/46/43/943954643.db2.gz XZZBUUUCTZZYOA-GFCCVEGCSA-N 1 2 250.298 1.204 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2ccccc2C=NO)C1 ZINC001234820663 943954645 /nfs/dbraw/zinc/95/46/45/943954645.db2.gz XZZBUUUCTZZYOA-GFCCVEGCSA-N 1 2 250.298 1.204 20 30 CDEDLO COc1cc(C#N)cc(C)c1OC[C@H]1C[N@H+](C)CCO1 ZINC001234864821 943961458 /nfs/dbraw/zinc/96/14/58/943961458.db2.gz JEEBXCBFZFDKRG-CYBMUJFWSA-N 1 2 276.336 1.585 20 30 CDEDLO COc1cc(C#N)cc(C)c1OC[C@H]1C[N@@H+](C)CCO1 ZINC001234864821 943961466 /nfs/dbraw/zinc/96/14/66/943961466.db2.gz JEEBXCBFZFDKRG-CYBMUJFWSA-N 1 2 276.336 1.585 20 30 CDEDLO N#CCc1ccccc1C[N@H+]1CC(=O)N2CCC[C@H]2C1 ZINC001235524915 944188375 /nfs/dbraw/zinc/18/83/75/944188375.db2.gz CJEZIFBKBMGJHZ-HNNXBMFYSA-N 1 2 269.348 1.559 20 30 CDEDLO N#CCc1ccccc1C[N@@H+]1CC(=O)N2CCC[C@H]2C1 ZINC001235524915 944188378 /nfs/dbraw/zinc/18/83/78/944188378.db2.gz CJEZIFBKBMGJHZ-HNNXBMFYSA-N 1 2 269.348 1.559 20 30 CDEDLO CCOC(=O)c1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)[nH]n1 ZINC001237030916 944633034 /nfs/dbraw/zinc/63/30/34/944633034.db2.gz DNTXDUQKURNQOL-LLVKDONJSA-N 1 2 276.340 1.712 20 30 CDEDLO CCOC(=O)c1cc(C[N@H+]2CCC[C@@H](C#N)CC2)[nH]n1 ZINC001237030916 944633040 /nfs/dbraw/zinc/63/30/40/944633040.db2.gz DNTXDUQKURNQOL-LLVKDONJSA-N 1 2 276.340 1.712 20 30 CDEDLO Cn1cc(C[N@@H+]2CCNC(=O)C2(C)C)c2cc(C#N)ccc21 ZINC001237471439 944800911 /nfs/dbraw/zinc/80/09/11/944800911.db2.gz VACSFGSMQODRGW-UHFFFAOYSA-N 1 2 296.374 1.760 20 30 CDEDLO Cn1cc(C[N@H+]2CCNC(=O)C2(C)C)c2cc(C#N)ccc21 ZINC001237471439 944800925 /nfs/dbraw/zinc/80/09/25/944800925.db2.gz VACSFGSMQODRGW-UHFFFAOYSA-N 1 2 296.374 1.760 20 30 CDEDLO N#Cc1ccc2nc(C[N@@H+]3CCc4ncncc4C3)cn2c1 ZINC001237612821 944886582 /nfs/dbraw/zinc/88/65/82/944886582.db2.gz DIQFVSMEINJPBT-UHFFFAOYSA-N 1 2 290.330 1.554 20 30 CDEDLO N#Cc1ccc2nc(C[N@H+]3CCc4ncncc4C3)cn2c1 ZINC001237612821 944886585 /nfs/dbraw/zinc/88/65/85/944886585.db2.gz DIQFVSMEINJPBT-UHFFFAOYSA-N 1 2 290.330 1.554 20 30 CDEDLO C#CCN1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC001237791469 944950995 /nfs/dbraw/zinc/95/09/95/944950995.db2.gz MBRQWOLRKHMOGY-UHFFFAOYSA-N 1 2 261.394 1.771 20 30 CDEDLO C=CCS(=O)(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001259930254 945716342 /nfs/dbraw/zinc/71/63/42/945716342.db2.gz IPMGYSCGRYGLDR-UHFFFAOYSA-N 1 2 277.349 1.859 20 30 CDEDLO Cc1cc(N(C)C)[nH+]cc1-c1cncc(CC#N)n1 ZINC001241235066 946196512 /nfs/dbraw/zinc/19/65/12/946196512.db2.gz KHFDEVKRCMJWCA-UHFFFAOYSA-N 1 2 253.309 1.979 20 30 CDEDLO C#CCOc1ccccc1C[NH2+][C@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001262163842 946482934 /nfs/dbraw/zinc/48/29/34/946482934.db2.gz JJUWJPHVPYEDEI-CQSZACIVSA-N 1 2 299.330 1.207 20 30 CDEDLO N#Cc1c(F)cc(C(=O)N2CCn3c[nH+]cc3C2)cc1F ZINC001362515895 971360641 /nfs/dbraw/zinc/36/06/41/971360641.db2.gz JLAGZWKBQDLVHO-UHFFFAOYSA-N 1 2 288.257 1.689 20 30 CDEDLO COC(=O)[C@@H]([NH3+])c1ccc(-c2ccc(N)c(C#N)c2)cc1 ZINC001244117138 947329730 /nfs/dbraw/zinc/32/97/30/947329730.db2.gz DLCWWOXAXOYYIY-HNNXBMFYSA-N 1 2 281.315 1.980 20 30 CDEDLO CCn1nnc2c1[C@H](COC)C[N@@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC001254659397 947574664 /nfs/dbraw/zinc/57/46/64/947574664.db2.gz PEUONXBMMAQSNN-AGIUHOORSA-N 1 2 289.383 1.536 20 30 CDEDLO CCn1nnc2c1[C@H](COC)C[N@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC001254659397 947574678 /nfs/dbraw/zinc/57/46/78/947574678.db2.gz PEUONXBMMAQSNN-AGIUHOORSA-N 1 2 289.383 1.536 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001255172366 947764864 /nfs/dbraw/zinc/76/48/64/947764864.db2.gz OCVXSVAHBFMKPI-KGLIPLIRSA-N 1 2 279.384 1.392 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001255172366 947764871 /nfs/dbraw/zinc/76/48/71/947764871.db2.gz OCVXSVAHBFMKPI-KGLIPLIRSA-N 1 2 279.384 1.392 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CC[C@H](Oc2ncc(C)cn2)C1 ZINC001255177384 947767669 /nfs/dbraw/zinc/76/76/69/947767669.db2.gz QQVAMKUUNAOJEX-OLZOCXBDSA-N 1 2 260.341 1.930 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CC[C@H](Oc2ncc(C)cn2)C1 ZINC001255177384 947767674 /nfs/dbraw/zinc/76/76/74/947767674.db2.gz QQVAMKUUNAOJEX-OLZOCXBDSA-N 1 2 260.341 1.930 20 30 CDEDLO CCOC(=O)C1CCC([NH2+]C2(C#N)CCOCC2)CC1 ZINC001255254413 947790774 /nfs/dbraw/zinc/79/07/74/947790774.db2.gz CXRUSJFELUOOQP-UHFFFAOYSA-N 1 2 280.368 1.771 20 30 CDEDLO C=CC[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)OCC)C1)C(=O)OC ZINC001255342264 947828416 /nfs/dbraw/zinc/82/84/16/947828416.db2.gz HDZJLSFXRUJKQR-AGIUHOORSA-N 1 2 283.368 1.816 20 30 CDEDLO N#Cc1ccn2ncc(C[N@H+]3CCCC[C@@H]3C(N)=O)c2c1 ZINC001249107046 949386423 /nfs/dbraw/zinc/38/64/23/949386423.db2.gz PXMVZJKNEMOWPK-CYBMUJFWSA-N 1 2 283.335 1.046 20 30 CDEDLO N#Cc1ccn2ncc(C[N@@H+]3CCCC[C@@H]3C(N)=O)c2c1 ZINC001249107046 949386443 /nfs/dbraw/zinc/38/64/43/949386443.db2.gz PXMVZJKNEMOWPK-CYBMUJFWSA-N 1 2 283.335 1.046 20 30 CDEDLO C[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2cc(F)cc(C#N)c2)no1 ZINC001249279032 949500094 /nfs/dbraw/zinc/50/00/94/949500094.db2.gz UJUAUWRQGCIYGH-RYUDHWBXSA-N 1 2 288.282 1.485 20 30 CDEDLO C[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2cc(F)cc(C#N)c2)no1 ZINC001249279032 949500119 /nfs/dbraw/zinc/50/01/19/949500119.db2.gz UJUAUWRQGCIYGH-RYUDHWBXSA-N 1 2 288.282 1.485 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(F)cc2C(=O)OC)CC1 ZINC001249622079 949715804 /nfs/dbraw/zinc/71/58/04/949715804.db2.gz YQOFWIJMZMZDIM-UHFFFAOYSA-N 1 2 290.338 1.363 20 30 CDEDLO COc1ccc(C[NH+]2CCN(C(=O)[C@H](C)C#N)CC2)cc1 ZINC001480343000 971680485 /nfs/dbraw/zinc/68/04/85/971680485.db2.gz YBLVVPJRRSIBIQ-CYBMUJFWSA-N 1 2 287.363 1.499 20 30 CDEDLO C=CCOC[C@@H](O)C[NH+]1CC(Oc2ccc(F)c(F)c2)C1 ZINC001252467119 951311834 /nfs/dbraw/zinc/31/18/34/951311834.db2.gz WDKVPDHCTAHEEN-NSHDSACASA-N 1 2 299.317 1.591 20 30 CDEDLO C=CC[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(=O)OCC ZINC001324567327 953443974 /nfs/dbraw/zinc/44/39/74/953443974.db2.gz QXOJFCNSQDGBIO-NWDGAFQWSA-N 1 2 291.351 1.070 20 30 CDEDLO CCc1[nH]c(CNC(=O)c2ccc(F)c(C#N)c2)c[nH+]1 ZINC001364224971 954345252 /nfs/dbraw/zinc/34/52/52/954345252.db2.gz XKWROUZZOOPGOT-UHFFFAOYSA-N 1 2 272.283 1.913 20 30 CDEDLO CCc1[nH]cc(CNC(=O)c2ccc(F)c(C#N)c2)[nH+]1 ZINC001364224971 954345267 /nfs/dbraw/zinc/34/52/67/954345267.db2.gz XKWROUZZOOPGOT-UHFFFAOYSA-N 1 2 272.283 1.913 20 30 CDEDLO C=C[C@H](C)ONC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001327282978 954811043 /nfs/dbraw/zinc/81/10/43/954811043.db2.gz NYPIHLMMNJUQQX-QWHCGFSZSA-N 1 2 292.383 1.890 20 30 CDEDLO COC(=O)c1cc(C[NH2+]Cc2cc(C#N)ccc2F)on1 ZINC001364995428 955475485 /nfs/dbraw/zinc/47/54/85/955475485.db2.gz LZFPPNOMEKXADL-UHFFFAOYSA-N 1 2 289.266 1.762 20 30 CDEDLO C=CC[C@@H](NCc1[nH]c(C)c(C)[nH+]1)C(=O)OCC ZINC001329157265 955724062 /nfs/dbraw/zinc/72/40/62/955724062.db2.gz NMXCJVRXLNMARL-LLVKDONJSA-N 1 2 251.330 1.624 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(C2CC2)on1 ZINC001492357708 955828312 /nfs/dbraw/zinc/82/83/12/955828312.db2.gz ICCZMZZTWNGTRH-UHFFFAOYSA-N 1 2 283.759 1.966 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(C2CC2)on1 ZINC001492357708 955828325 /nfs/dbraw/zinc/82/83/25/955828325.db2.gz ICCZMZZTWNGTRH-UHFFFAOYSA-N 1 2 283.759 1.966 20 30 CDEDLO Cc1cc(C[NH2+][C@H](CO)c2ncc[nH]2)ccc1C#N ZINC001308955373 956601519 /nfs/dbraw/zinc/60/15/19/956601519.db2.gz QRQYZKRBKKUGMH-CYBMUJFWSA-N 1 2 256.309 1.413 20 30 CDEDLO C=CCC1(O)C[NH+](Cc2ccc(/C=C/C(=O)OC)o2)C1 ZINC001308980230 956609004 /nfs/dbraw/zinc/60/90/04/956609004.db2.gz OIRDMJHIGCWNMP-VOTSOKGWSA-N 1 2 277.320 1.589 20 30 CDEDLO CO[C@@H](C[NH+]1CC(NC(=O)[C@@H](C)C#N)C1)c1ccccc1 ZINC001494360264 972216666 /nfs/dbraw/zinc/21/66/66/972216666.db2.gz ZASYFGDPGLHGIV-WFASDCNBSA-N 1 2 287.363 1.334 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cccnc1N(C)C ZINC001366593993 957007043 /nfs/dbraw/zinc/00/70/43/957007043.db2.gz VRHWBGOZNKTMIH-UHFFFAOYSA-N 1 2 296.802 1.562 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cccnc1N(C)C ZINC001366593993 957007059 /nfs/dbraw/zinc/00/70/59/957007059.db2.gz VRHWBGOZNKTMIH-UHFFFAOYSA-N 1 2 296.802 1.562 20 30 CDEDLO C=CCC1(O)CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001331913137 957330234 /nfs/dbraw/zinc/33/02/34/957330234.db2.gz WUJZGFIYLAIGCS-GFCCVEGCSA-N 1 2 277.368 1.518 20 30 CDEDLO C=CCC1(O)CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001331913137 957330244 /nfs/dbraw/zinc/33/02/44/957330244.db2.gz WUJZGFIYLAIGCS-GFCCVEGCSA-N 1 2 277.368 1.518 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCc2nc(C)no2)C1 ZINC001494575243 972260135 /nfs/dbraw/zinc/26/01/35/972260135.db2.gz BHIJOMQQYRJXEI-UHFFFAOYSA-N 1 2 298.774 1.111 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C1CCOCC1 ZINC001367498602 958060300 /nfs/dbraw/zinc/06/03/00/958060300.db2.gz ZIYZYYLIEGOZLQ-UHFFFAOYSA-N 1 2 274.792 1.556 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C1CCOCC1 ZINC001367498602 958060313 /nfs/dbraw/zinc/06/03/13/958060313.db2.gz ZIYZYYLIEGOZLQ-UHFFFAOYSA-N 1 2 274.792 1.556 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cncnc1CC ZINC001418582813 960752667 /nfs/dbraw/zinc/75/26/67/960752667.db2.gz QQMYGEUDVIKBLI-UHFFFAOYSA-N 1 2 296.802 1.843 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cncnc1CC ZINC001418582813 960752687 /nfs/dbraw/zinc/75/26/87/960752687.db2.gz QQMYGEUDVIKBLI-UHFFFAOYSA-N 1 2 296.802 1.843 20 30 CDEDLO C#CC[C@@H](CC)c1nnc(N2CC[NH+](CC#C)CC2)n1C ZINC001337966044 961546025 /nfs/dbraw/zinc/54/60/25/961546025.db2.gz FZUHKFKPLRGVFJ-CQSZACIVSA-N 1 2 285.395 1.087 20 30 CDEDLO C=C[C@H](COC)NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC001338161655 961664190 /nfs/dbraw/zinc/66/41/90/961664190.db2.gz FPOINDZWTHDHLR-OLZOCXBDSA-N 1 2 278.356 1.431 20 30 CDEDLO N#C[C@@H](NC(=O)CCCn1cc[nH+]c1)C1CCCC1 ZINC001338216104 961695491 /nfs/dbraw/zinc/69/54/91/961695491.db2.gz NQZBKQURHRLXPF-CYBMUJFWSA-N 1 2 260.341 1.862 20 30 CDEDLO C[C@@H](C#N)C(=O)NC1(C)CC[NH+](Cc2nccs2)CC1 ZINC001421139616 963472365 /nfs/dbraw/zinc/47/23/65/963472365.db2.gz PDYMCQAADCYHQI-NSHDSACASA-N 1 2 292.408 1.773 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCCCc1c[nH+]cn1C ZINC001343732262 964122188 /nfs/dbraw/zinc/12/21/88/964122188.db2.gz FDUDAGWDJGJZGK-KBPBESRZSA-N 1 2 278.352 1.877 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@]1(C)CCCOC1 ZINC001442559964 965115271 /nfs/dbraw/zinc/11/52/71/965115271.db2.gz KSTZLFJDYNYDHN-CYBMUJFWSA-N 1 2 274.792 1.604 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@]1(C)CCCOC1 ZINC001442559964 965115276 /nfs/dbraw/zinc/11/52/76/965115276.db2.gz KSTZLFJDYNYDHN-CYBMUJFWSA-N 1 2 274.792 1.604 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)NCCc1[nH+]ccn1C ZINC001347735653 965675734 /nfs/dbraw/zinc/67/57/34/965675734.db2.gz MKLPOXIDAUUJSC-UHFFFAOYSA-N 1 2 268.320 1.573 20 30 CDEDLO C#CCN(CC)c1nnc(C[NH+]2CCCCC2)n1CC ZINC001352926454 967570505 /nfs/dbraw/zinc/57/05/05/967570505.db2.gz NTEAYERWJGGKDQ-UHFFFAOYSA-N 1 2 275.400 1.743 20 30 CDEDLO N#Cc1ccc(NC(=O)N2CCn3c[nH+]cc3C2)nc1 ZINC001467097327 970022951 /nfs/dbraw/zinc/02/29/51/970022951.db2.gz CHAIKSBTRGSLHN-UHFFFAOYSA-N 1 2 268.280 1.197 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)COc1ccsc1 ZINC001372182248 972838005 /nfs/dbraw/zinc/83/80/05/972838005.db2.gz JNGAWANLPCODNY-UHFFFAOYSA-N 1 2 288.800 1.927 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)COc1ccsc1 ZINC001372182248 972838012 /nfs/dbraw/zinc/83/80/12/972838012.db2.gz JNGAWANLPCODNY-UHFFFAOYSA-N 1 2 288.800 1.927 20 30 CDEDLO CCc1nnc([C@H](C)[NH2+]CCN(CC)C(=O)[C@@H](C)C#N)o1 ZINC001374707855 974069548 /nfs/dbraw/zinc/06/95/48/974069548.db2.gz CVLARBWONMXLOC-QWRGUYRKSA-N 1 2 293.371 1.291 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cncnc1C ZINC001505876542 975018682 /nfs/dbraw/zinc/01/86/82/975018682.db2.gz IGYQJDYAHCJWAM-SNVBAGLBSA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cncnc1C ZINC001505876542 975018686 /nfs/dbraw/zinc/01/86/86/975018686.db2.gz IGYQJDYAHCJWAM-SNVBAGLBSA-N 1 2 282.775 1.588 20 30 CDEDLO CC(C)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001401861157 975956522 /nfs/dbraw/zinc/95/65/22/975956522.db2.gz CDIAQDVSOWOINP-NSHDSACASA-N 1 2 277.393 1.966 20 30 CDEDLO CC(C)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001401861157 975956526 /nfs/dbraw/zinc/95/65/26/975956526.db2.gz CDIAQDVSOWOINP-NSHDSACASA-N 1 2 277.393 1.966 20 30 CDEDLO Cc1cc(C[NH+]2CCC(C)(NC(=O)[C@H](C)C#N)CC2)no1 ZINC001380299767 976338088 /nfs/dbraw/zinc/33/80/88/976338088.db2.gz QJBBWWOZSJLBAX-LLVKDONJSA-N 1 2 290.367 1.613 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)Cc2nnc(C)o2)C1 ZINC001380355791 976374999 /nfs/dbraw/zinc/37/49/99/976374999.db2.gz LCIBHJURAJVVCT-CYBMUJFWSA-N 1 2 298.774 1.254 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)Cc2nnc(C)o2)C1 ZINC001380355791 976375009 /nfs/dbraw/zinc/37/50/09/976375009.db2.gz LCIBHJURAJVVCT-CYBMUJFWSA-N 1 2 298.774 1.254 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(OC)nc1 ZINC001392669496 977539218 /nfs/dbraw/zinc/53/92/18/977539218.db2.gz GOCYTTZCYBWNLO-LLVKDONJSA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(OC)nc1 ZINC001392669496 977539222 /nfs/dbraw/zinc/53/92/22/977539222.db2.gz GOCYTTZCYBWNLO-LLVKDONJSA-N 1 2 297.786 1.893 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nnc(C(C)C)o1 ZINC001132565619 1163375209 /nfs/dbraw/zinc/37/52/09/1163375209.db2.gz XIBKRLVXMLNYIH-NWDGAFQWSA-N 1 2 294.399 1.857 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[NH2+]Cc2nnc(CC)o2)C1 ZINC001133570330 1163789644 /nfs/dbraw/zinc/78/96/44/1163789644.db2.gz WEMTXTLGDPAODE-UHFFFAOYSA-N 1 2 278.356 1.194 20 30 CDEDLO C=CCC(C)(C)C(=O)NC[C@@H]([NH2+]Cc1c[nH]nn1)C(C)C ZINC001575077734 1171106451 /nfs/dbraw/zinc/10/64/51/1171106451.db2.gz BDMYOEQLLDBYED-CYBMUJFWSA-N 1 2 293.415 1.637 20 30 CDEDLO C=CCC(C)(C)C(=O)NC[C@@H]([NH2+]Cc1cn[nH]n1)C(C)C ZINC001575077734 1171106455 /nfs/dbraw/zinc/10/64/55/1171106455.db2.gz BDMYOEQLLDBYED-CYBMUJFWSA-N 1 2 293.415 1.637 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)NCC1CCC(C#N)CC1 ZINC000292548355 342451705 /nfs/dbraw/zinc/45/17/05/342451705.db2.gz QNJZFYPZSATOBH-UHFFFAOYSA-N 1 2 275.356 1.549 20 30 CDEDLO CN1CC[N@H+](CCCC#N)C[C@H]1c1nc(C2CC2)no1 ZINC000585789750 342456365 /nfs/dbraw/zinc/45/63/65/342456365.db2.gz LETWQAVSSVBOCL-LBPRGKRZSA-N 1 2 275.356 1.539 20 30 CDEDLO CN1CC[N@@H+](CCCC#N)C[C@H]1c1nc(C2CC2)no1 ZINC000585789750 342456366 /nfs/dbraw/zinc/45/63/66/342456366.db2.gz LETWQAVSSVBOCL-LBPRGKRZSA-N 1 2 275.356 1.539 20 30 CDEDLO N#Cc1cccc(F)c1CC(=O)N[C@H]1CCc2[nH+]ccn2C1 ZINC000586756942 342466342 /nfs/dbraw/zinc/46/63/42/342466342.db2.gz IOEXLPFMBSLZRT-LBPRGKRZSA-N 1 2 298.321 1.568 20 30 CDEDLO Cc1cn2c([nH+]1)CN(C(=O)Cc1c(F)cccc1C#N)CC2 ZINC000586806202 342470262 /nfs/dbraw/zinc/47/02/62/342470262.db2.gz CZIUNENUYOIWBH-UHFFFAOYSA-N 1 2 298.321 1.787 20 30 CDEDLO CCc1nc(C#N)cc(NCc2[nH+]ccn2CC)n1 ZINC000308168356 342508746 /nfs/dbraw/zinc/50/87/46/342508746.db2.gz MRSXHCRYTDGIRW-UHFFFAOYSA-N 1 2 256.313 1.739 20 30 CDEDLO N#CCCN1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000601262591 342540000 /nfs/dbraw/zinc/54/00/00/342540000.db2.gz NEKIOIINQJUDGR-UHFFFAOYSA-N 1 2 257.341 1.390 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H]1CCO[C@H](CC)C1)C(=O)OC ZINC000590652733 342580725 /nfs/dbraw/zinc/58/07/25/342580725.db2.gz OGJUEEBZNDPRLQ-UPJWGTAASA-N 1 2 271.357 1.278 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000590755654 342588004 /nfs/dbraw/zinc/58/80/04/342588004.db2.gz FHYQRVHGTMLBPE-LOWVWBTDSA-N 1 2 255.337 1.473 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000590755654 342588005 /nfs/dbraw/zinc/58/80/05/342588005.db2.gz FHYQRVHGTMLBPE-LOWVWBTDSA-N 1 2 255.337 1.473 20 30 CDEDLO Cc1nc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)oc1C ZINC000140373123 342091851 /nfs/dbraw/zinc/09/18/51/342091851.db2.gz LGROSKDZEJTEBD-UHFFFAOYSA-N 1 2 297.362 1.880 20 30 CDEDLO C[C@H](C#N)CNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000611634167 346834973 /nfs/dbraw/zinc/83/49/73/346834973.db2.gz RVIZWLQJNRVONH-GFCCVEGCSA-N 1 2 292.408 1.735 20 30 CDEDLO Cc1cc(N[C@H]2CCN(C(=O)C3CC3)C[C@@H]2C)c(C#N)c[nH+]1 ZINC000591821628 342647642 /nfs/dbraw/zinc/64/76/42/342647642.db2.gz GOTJLXBKVYZDDV-NHYWBVRUSA-N 1 2 298.390 1.743 20 30 CDEDLO C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148190 342668025 /nfs/dbraw/zinc/66/80/25/342668025.db2.gz RQQLTEBJLCTRRU-SUMWQHHRSA-N 1 2 299.374 1.315 20 30 CDEDLO C[C@@H](C(=O)N1CCc2ccccc21)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148190 342668026 /nfs/dbraw/zinc/66/80/26/342668026.db2.gz RQQLTEBJLCTRRU-SUMWQHHRSA-N 1 2 299.374 1.315 20 30 CDEDLO CCCC[C@H](C(=O)OC)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150342 342668714 /nfs/dbraw/zinc/66/87/14/342668714.db2.gz DWAGHKDNQPBZMN-DGCLKSJQSA-N 1 2 254.330 1.069 20 30 CDEDLO CCCC[C@H](C(=O)OC)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150342 342668715 /nfs/dbraw/zinc/66/87/15/342668715.db2.gz DWAGHKDNQPBZMN-DGCLKSJQSA-N 1 2 254.330 1.069 20 30 CDEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@](O)(CC#N)C2)c1C#N ZINC000592152227 342669135 /nfs/dbraw/zinc/66/91/35/342669135.db2.gz VLOSHEXIXUFHKE-MRXNPFEDSA-N 1 2 299.330 1.195 20 30 CDEDLO COC(=O)c1cccc(C[N@H+]2CC[C@](O)(CC#N)C2)c1C#N ZINC000592152227 342669136 /nfs/dbraw/zinc/66/91/36/342669136.db2.gz VLOSHEXIXUFHKE-MRXNPFEDSA-N 1 2 299.330 1.195 20 30 CDEDLO C=CCC[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccnn1C ZINC000625497237 342175207 /nfs/dbraw/zinc/17/52/07/342175207.db2.gz WABWSEGEDHGRIU-CQSZACIVSA-N 1 2 257.341 1.667 20 30 CDEDLO C=CCC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccnn1C ZINC000625497237 342175208 /nfs/dbraw/zinc/17/52/08/342175208.db2.gz WABWSEGEDHGRIU-CQSZACIVSA-N 1 2 257.341 1.667 20 30 CDEDLO Cc1ccc(CCC(=O)N[C@@](C)(C#N)C[NH+](C)C)s1 ZINC000593153011 342773935 /nfs/dbraw/zinc/77/39/35/342773935.db2.gz CTFWTMYNYMHOSR-AWEZNQCLSA-N 1 2 279.409 1.949 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000593998764 342861933 /nfs/dbraw/zinc/86/19/33/342861933.db2.gz YGPZZEBKDQMSTJ-STQMWFEESA-N 1 2 277.368 1.573 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000593998764 342861934 /nfs/dbraw/zinc/86/19/34/342861934.db2.gz YGPZZEBKDQMSTJ-STQMWFEESA-N 1 2 277.368 1.573 20 30 CDEDLO Cc1[nH]nc(NC(=O)Cc2cn3ccccc3[nH+]2)c1C#N ZINC000588716219 342219957 /nfs/dbraw/zinc/21/99/57/342219957.db2.gz IXJMDKLTBOLGDJ-UHFFFAOYSA-N 1 2 280.291 1.419 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(C(F)F)nc1 ZINC000594024184 342867488 /nfs/dbraw/zinc/86/74/88/342867488.db2.gz FABNEWSZOBZKLE-ZDUSSCGKSA-N 1 2 282.294 1.593 20 30 CDEDLO Cc1cc(NCc2nnn(C(C)(C)C)n2)c(C#N)c[nH+]1 ZINC000594597403 342923900 /nfs/dbraw/zinc/92/39/00/342923900.db2.gz SNLRTKYGOHSKIU-UHFFFAOYSA-N 1 2 271.328 1.037 20 30 CDEDLO C=CCCSCCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000594685094 342940813 /nfs/dbraw/zinc/94/08/13/342940813.db2.gz HPAXUMXFRALGIQ-LBPRGKRZSA-N 1 2 282.413 1.880 20 30 CDEDLO N#Cc1ccc(CNc2ccc(-n3cncn3)c[nH+]2)c(F)c1 ZINC000616206024 342948333 /nfs/dbraw/zinc/94/83/33/342948333.db2.gz FZQBVPZNXGAIER-UHFFFAOYSA-N 1 2 294.293 1.707 20 30 CDEDLO Cc1cn2ccc(NC(=O)C(=O)N(C)C[C@@H](C)C#N)cc2[nH+]1 ZINC000595004937 342995651 /nfs/dbraw/zinc/99/56/51/342995651.db2.gz USIUTRZIVQNJQM-JTQLQIEISA-N 1 2 299.334 1.199 20 30 CDEDLO CN(CC(=O)N(CCC#N)c1ccccc1)Cc1c[nH+]c[nH]1 ZINC000595595037 343099134 /nfs/dbraw/zinc/09/91/34/343099134.db2.gz AYNUYUDBQOFSLT-UHFFFAOYSA-N 1 2 297.362 1.788 20 30 CDEDLO CN(CC(=O)N(CCC#N)c1ccccc1)Cc1c[nH]c[nH+]1 ZINC000595595037 343099135 /nfs/dbraw/zinc/09/91/35/343099135.db2.gz AYNUYUDBQOFSLT-UHFFFAOYSA-N 1 2 297.362 1.788 20 30 CDEDLO C=CCOCC[N@@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000645089899 362102025 /nfs/dbraw/zinc/10/20/25/362102025.db2.gz YBTFGGRWNXAUED-VHSXEESVSA-N 1 2 253.264 1.841 20 30 CDEDLO C=CCOCC[N@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000645089899 362102031 /nfs/dbraw/zinc/10/20/31/362102031.db2.gz YBTFGGRWNXAUED-VHSXEESVSA-N 1 2 253.264 1.841 20 30 CDEDLO COCc1noc([C@@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595620262 343111154 /nfs/dbraw/zinc/11/11/54/343111154.db2.gz LEEGSMRHHBHUGJ-MNOVXSKESA-N 1 2 264.329 1.903 20 30 CDEDLO COCc1noc([C@@H](C)[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595620262 343111156 /nfs/dbraw/zinc/11/11/56/343111156.db2.gz LEEGSMRHHBHUGJ-MNOVXSKESA-N 1 2 264.329 1.903 20 30 CDEDLO N#CC1(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000619546399 349797505 /nfs/dbraw/zinc/79/75/05/349797505.db2.gz VGUAGVFQSLDULB-UHFFFAOYSA-N 1 2 299.374 1.552 20 30 CDEDLO C=CC[N@H+](Cc1oncc1C(=O)OC)[C@H](C)COC ZINC000595639857 343123692 /nfs/dbraw/zinc/12/36/92/343123692.db2.gz XWYAMUQPGCMQHC-SNVBAGLBSA-N 1 2 268.313 1.484 20 30 CDEDLO C=CC[N@@H+](Cc1oncc1C(=O)OC)[C@H](C)COC ZINC000595639857 343123694 /nfs/dbraw/zinc/12/36/94/343123694.db2.gz XWYAMUQPGCMQHC-SNVBAGLBSA-N 1 2 268.313 1.484 20 30 CDEDLO Cn1cc(C[N@H+](C)Cc2ccc(CC#N)cc2)nn1 ZINC000595761316 343144207 /nfs/dbraw/zinc/14/42/07/343144207.db2.gz YTWPGFAASDEKSC-UHFFFAOYSA-N 1 2 255.325 1.513 20 30 CDEDLO Cn1cc(C[N@@H+](C)Cc2ccc(CC#N)cc2)nn1 ZINC000595761316 343144208 /nfs/dbraw/zinc/14/42/08/343144208.db2.gz YTWPGFAASDEKSC-UHFFFAOYSA-N 1 2 255.325 1.513 20 30 CDEDLO CCC[C@H]1C[C@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000079844531 342347854 /nfs/dbraw/zinc/34/78/54/342347854.db2.gz HRBVKTMOZCECKS-LSDHHAIUSA-N 1 2 293.411 1.497 20 30 CDEDLO CC[N@H+](CCC#N)CCn1cnc2ccccc2c1=O ZINC000081040088 342363421 /nfs/dbraw/zinc/36/34/21/342363421.db2.gz MDTDHBRAJMXIMW-UHFFFAOYSA-N 1 2 270.336 1.632 20 30 CDEDLO CC[N@@H+](CCC#N)CCn1cnc2ccccc2c1=O ZINC000081040088 342363422 /nfs/dbraw/zinc/36/34/22/342363422.db2.gz MDTDHBRAJMXIMW-UHFFFAOYSA-N 1 2 270.336 1.632 20 30 CDEDLO CCn1c2ccccc2[nH+]c1CCNc1cc(C#N)cnn1 ZINC000596097908 343235669 /nfs/dbraw/zinc/23/56/69/343235669.db2.gz JPLCNVPJHHVCHG-UHFFFAOYSA-N 1 2 292.346 1.794 20 30 CDEDLO C[C@@H]1CCN(c2cc(C#N)cnn2)C[C@@H]1n1cc[nH+]c1 ZINC000596158208 343255335 /nfs/dbraw/zinc/25/53/35/343255335.db2.gz UAJVESFMLJGNQY-YPMHNXCESA-N 1 2 268.324 1.632 20 30 CDEDLO C#CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CCCCC1 ZINC000081300709 342367009 /nfs/dbraw/zinc/36/70/09/342367009.db2.gz XYQFFZXTBGVJRW-AWEZNQCLSA-N 1 2 264.369 1.112 20 30 CDEDLO C#CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCCCC1 ZINC000081300709 342367010 /nfs/dbraw/zinc/36/70/10/342367010.db2.gz XYQFFZXTBGVJRW-AWEZNQCLSA-N 1 2 264.369 1.112 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC(C)(C)O1 ZINC000330176045 362169348 /nfs/dbraw/zinc/16/93/48/362169348.db2.gz CALGZXFZVQTVPY-VXGBXAGGSA-N 1 2 292.383 1.611 20 30 CDEDLO C[C@@H]([NH2+]Cc1ncnn1CCF)c1cccc(C#N)c1 ZINC000619649716 349834357 /nfs/dbraw/zinc/83/43/57/349834357.db2.gz CVGGBAUYKJQHQN-LLVKDONJSA-N 1 2 273.315 1.970 20 30 CDEDLO N#CC[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000597900864 343665783 /nfs/dbraw/zinc/66/57/83/343665783.db2.gz QZBFTZHRAGPBCP-QWHCGFSZSA-N 1 2 272.352 1.598 20 30 CDEDLO Cc1[nH]c(CN2CCN(c3ccc(C#N)cn3)CC2)[nH+]c1C ZINC000600111498 349835144 /nfs/dbraw/zinc/83/51/44/349835144.db2.gz JGTSLCRKDFHAHR-UHFFFAOYSA-N 1 2 296.378 1.615 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000597995303 343684081 /nfs/dbraw/zinc/68/40/81/343684081.db2.gz MBHCVFXXZNFJFF-MNOVXSKESA-N 1 2 290.367 1.034 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000597995303 343684083 /nfs/dbraw/zinc/68/40/83/343684083.db2.gz MBHCVFXXZNFJFF-MNOVXSKESA-N 1 2 290.367 1.034 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000597995907 343684811 /nfs/dbraw/zinc/68/48/11/343684811.db2.gz HCENVGVAUXXAJG-QWHCGFSZSA-N 1 2 287.363 1.397 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000597995907 343684812 /nfs/dbraw/zinc/68/48/12/343684812.db2.gz HCENVGVAUXXAJG-QWHCGFSZSA-N 1 2 287.363 1.397 20 30 CDEDLO C[N@H+](CC(=O)NC1(c2nnc[nH]2)CCC1)[C@@H]1CCSC1 ZINC000329259882 529819468 /nfs/dbraw/zinc/81/94/68/529819468.db2.gz AJJNNGUPRYNARA-SNVBAGLBSA-N 1 2 295.412 1.578 20 30 CDEDLO C[N@@H+](CC(=O)NC1(c2nnc[nH]2)CCC1)[C@@H]1CCSC1 ZINC000329259882 529819469 /nfs/dbraw/zinc/81/94/69/529819469.db2.gz AJJNNGUPRYNARA-SNVBAGLBSA-N 1 2 295.412 1.578 20 30 CDEDLO C[C@@H](C#N)N(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000598130071 343722070 /nfs/dbraw/zinc/72/20/70/343722070.db2.gz NKPSGHKIGYERPW-WDEREUQCSA-N 1 2 258.325 1.349 20 30 CDEDLO COC(=O)[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1CCCCC1 ZINC000598612648 343842006 /nfs/dbraw/zinc/84/20/06/343842006.db2.gz QNJKGOFYBMRXGE-ZIAGYGMSSA-N 1 2 296.411 1.999 20 30 CDEDLO CC[C@H](C)N1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598620206 343844429 /nfs/dbraw/zinc/84/44/29/343844429.db2.gz JPTPDVLFYVXBAY-KBPBESRZSA-N 1 2 267.417 1.703 20 30 CDEDLO Cc1noc([C@@H](C)[N@H+](C)C[C@@H](O)CC(C)(C)C#N)n1 ZINC000598623767 343847141 /nfs/dbraw/zinc/84/71/41/343847141.db2.gz RUKXSZYLZHJGPG-KOLCDFICSA-N 1 2 266.345 1.672 20 30 CDEDLO Cc1noc([C@@H](C)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)n1 ZINC000598623767 343847143 /nfs/dbraw/zinc/84/71/43/343847143.db2.gz RUKXSZYLZHJGPG-KOLCDFICSA-N 1 2 266.345 1.672 20 30 CDEDLO C[N@@H+]1CCOC[C@H]1CNc1nc2ncccc2cc1C#N ZINC000599160445 343971253 /nfs/dbraw/zinc/97/12/53/343971253.db2.gz JLUQDZBQPHXZDJ-CYBMUJFWSA-N 1 2 283.335 1.244 20 30 CDEDLO C[N@H+]1CCOC[C@H]1CNc1nc2ncccc2cc1C#N ZINC000599160445 343971256 /nfs/dbraw/zinc/97/12/56/343971256.db2.gz JLUQDZBQPHXZDJ-CYBMUJFWSA-N 1 2 283.335 1.244 20 30 CDEDLO COc1cc(C[NH+]2CCN(CC#N)CC2)c(Cl)cc1O ZINC000602452782 344435593 /nfs/dbraw/zinc/43/55/93/344435593.db2.gz DJVGQHOIEYHDNL-UHFFFAOYSA-N 1 2 295.770 1.695 20 30 CDEDLO COCCc1ncc(C[NH2+]CC2(C#N)CC2)s1 ZINC000602644180 344513382 /nfs/dbraw/zinc/51/33/82/344513382.db2.gz WMFYNWIVDQIXIZ-UHFFFAOYSA-N 1 2 251.355 1.725 20 30 CDEDLO CC[C@H](C)NC(=O)CN1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602766482 344573151 /nfs/dbraw/zinc/57/31/51/344573151.db2.gz LOAVXQNOKMCDHJ-AWEZNQCLSA-N 1 2 292.427 1.213 20 30 CDEDLO Cc1cc(CN2CC[NH+](CC3(CC#N)CC3)CC2)on1 ZINC000602760694 344583071 /nfs/dbraw/zinc/58/30/71/344583071.db2.gz ZPPDAROQAPEMOO-UHFFFAOYSA-N 1 2 274.368 1.795 20 30 CDEDLO N#Cc1cccc(NCc2ccc(N3CCOCC3)[nH+]c2)n1 ZINC000265536024 362446505 /nfs/dbraw/zinc/44/65/05/362446505.db2.gz OGFAZUNYITZMMK-UHFFFAOYSA-N 1 2 295.346 1.797 20 30 CDEDLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N)cc1OC ZINC000602869980 344640561 /nfs/dbraw/zinc/64/05/61/344640561.db2.gz RLIFTUJLCLYCLI-QWRGUYRKSA-N 1 2 291.351 1.923 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612164432 347066704 /nfs/dbraw/zinc/06/67/04/347066704.db2.gz BZXSGNMFGFHLSQ-GXTWGEPZSA-N 1 2 262.357 1.373 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612164432 347066707 /nfs/dbraw/zinc/06/67/07/347066707.db2.gz BZXSGNMFGFHLSQ-GXTWGEPZSA-N 1 2 262.357 1.373 20 30 CDEDLO CCCNC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609486228 344915863 /nfs/dbraw/zinc/91/58/63/344915863.db2.gz GICKQPHOGRDKDC-KBPBESRZSA-N 1 2 280.416 1.067 20 30 CDEDLO C#CC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000052534722 362541616 /nfs/dbraw/zinc/54/16/16/362541616.db2.gz ADERXOQXQRLHPK-UHFFFAOYSA-N 1 2 282.303 1.561 20 30 CDEDLO C=CCC[N@@H+](CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C ZINC000338562438 345131361 /nfs/dbraw/zinc/13/13/61/345131361.db2.gz CFDDPDSHRSOANE-LBPRGKRZSA-N 1 2 284.400 1.731 20 30 CDEDLO C=CCC[N@H+](CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C ZINC000338562438 345131365 /nfs/dbraw/zinc/13/13/65/345131365.db2.gz CFDDPDSHRSOANE-LBPRGKRZSA-N 1 2 284.400 1.731 20 30 CDEDLO C=CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H](C)COC ZINC000617579012 345865424 /nfs/dbraw/zinc/86/54/24/345865424.db2.gz WEDWZRHGIPMNFA-OLZOCXBDSA-N 1 2 277.368 1.495 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617721599 345926158 /nfs/dbraw/zinc/92/61/58/345926158.db2.gz ROKVALVBCUVBJA-NWDGAFQWSA-N 1 2 254.374 1.424 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617721599 345926160 /nfs/dbraw/zinc/92/61/60/345926160.db2.gz ROKVALVBCUVBJA-NWDGAFQWSA-N 1 2 254.374 1.424 20 30 CDEDLO N#Cc1csc(C[NH2+]Cc2nnc3n2CCC3)c1 ZINC000610488634 346292689 /nfs/dbraw/zinc/29/26/89/346292689.db2.gz ARDPUNMEFKPZPL-UHFFFAOYSA-N 1 2 259.338 1.447 20 30 CDEDLO N#CC1(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000584757130 346424416 /nfs/dbraw/zinc/42/44/16/346424416.db2.gz YODLEHZGGRECFM-GFCCVEGCSA-N 1 2 273.340 1.361 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C1CC1 ZINC001032579207 684645855 /nfs/dbraw/zinc/64/58/55/684645855.db2.gz XTHBHTFDTUTDMV-KBPBESRZSA-N 1 2 260.381 1.731 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C1CC1 ZINC001032579207 684645869 /nfs/dbraw/zinc/64/58/69/684645869.db2.gz XTHBHTFDTUTDMV-KBPBESRZSA-N 1 2 260.381 1.731 20 30 CDEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000611157921 346623120 /nfs/dbraw/zinc/62/31/20/346623120.db2.gz TVVLRXFYYLOCMJ-UHFFFAOYSA-N 1 2 296.739 1.413 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611175198 346626905 /nfs/dbraw/zinc/62/69/05/346626905.db2.gz VHPJXMGNUSFUND-HNNXBMFYSA-N 1 2 290.411 1.107 20 30 CDEDLO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611173922 346627197 /nfs/dbraw/zinc/62/71/97/346627197.db2.gz RMCIWLWOXPCORU-HUUCEWRRSA-N 1 2 292.427 1.213 20 30 CDEDLO N#CC1(C[NH+]2CCN(c3ccc(O)cc3)CC2)CC1 ZINC000611428928 346787360 /nfs/dbraw/zinc/78/73/60/346787360.db2.gz DQYWNRYTZXIYPI-UHFFFAOYSA-N 1 2 257.337 1.818 20 30 CDEDLO CN(C)c1cc[nH+]c(NC(=O)c2c[nH]c(C#N)c2)c1 ZINC000612346137 347124492 /nfs/dbraw/zinc/12/44/92/347124492.db2.gz IUGHWCHVZYZLML-UHFFFAOYSA-N 1 2 255.281 1.600 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089970451 347277021 /nfs/dbraw/zinc/27/70/21/347277021.db2.gz LZWISMQHTZHJDA-JTQLQIEISA-N 1 2 275.274 1.819 20 30 CDEDLO CC#CCC[N@@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000613171622 347443129 /nfs/dbraw/zinc/44/31/29/347443129.db2.gz RWCVLTWFGUZLOD-GFCCVEGCSA-N 1 2 253.342 1.442 20 30 CDEDLO CC#CCC[N@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000613171622 347443130 /nfs/dbraw/zinc/44/31/30/347443130.db2.gz RWCVLTWFGUZLOD-GFCCVEGCSA-N 1 2 253.342 1.442 20 30 CDEDLO C=C[C@@H]([NH2+][C@@H]1CCc2cc(OC)ccc2C1)C(=O)OC ZINC000619703528 347955453 /nfs/dbraw/zinc/95/54/53/347955453.db2.gz MUVNLPGRCQNOGZ-UKRRQHHQSA-N 1 2 275.348 1.870 20 30 CDEDLO N#CC1(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)CCC1 ZINC000615223423 348397840 /nfs/dbraw/zinc/39/78/40/348397840.db2.gz AGMIXQJJPCWDJD-UHFFFAOYSA-N 1 2 298.390 1.371 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000615329868 348443517 /nfs/dbraw/zinc/44/35/17/348443517.db2.gz WXBJXXBMVAIFLD-GHMZBOCLSA-N 1 2 294.317 1.720 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000615329868 348443520 /nfs/dbraw/zinc/44/35/20/348443520.db2.gz WXBJXXBMVAIFLD-GHMZBOCLSA-N 1 2 294.317 1.720 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccc(F)cc1F ZINC000024951061 348548943 /nfs/dbraw/zinc/54/89/43/348548943.db2.gz NVBNNDYUEDFWOK-UHFFFAOYSA-N 1 2 297.305 1.408 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1ccc(F)cc1F ZINC000024951061 348548947 /nfs/dbraw/zinc/54/89/47/348548947.db2.gz NVBNNDYUEDFWOK-UHFFFAOYSA-N 1 2 297.305 1.408 20 30 CDEDLO C#CCN(CC)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000056624545 348820194 /nfs/dbraw/zinc/82/01/94/348820194.db2.gz VDYVIBFUAMQXKU-UHFFFAOYSA-N 1 2 260.341 1.312 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000068444181 349066829 /nfs/dbraw/zinc/06/68/29/349066829.db2.gz QKPBAZIFRVKIKT-UHFFFAOYSA-N 1 2 273.380 1.628 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)CSc2ccccc2)CC1 ZINC000068445145 349066884 /nfs/dbraw/zinc/06/68/84/349066884.db2.gz HAPCQYCIFOFWEY-UHFFFAOYSA-N 1 2 288.416 1.946 20 30 CDEDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1cccc(C#N)n1 ZINC000602622485 350132983 /nfs/dbraw/zinc/13/29/83/350132983.db2.gz IVOLERKDJLWUOZ-LLVKDONJSA-N 1 2 274.368 1.688 20 30 CDEDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602622485 350132986 /nfs/dbraw/zinc/13/29/86/350132986.db2.gz IVOLERKDJLWUOZ-LLVKDONJSA-N 1 2 274.368 1.688 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620606429 350280403 /nfs/dbraw/zinc/28/04/03/350280403.db2.gz SNHOKVOQEWDTIC-RISCZKNCSA-N 1 2 265.357 1.826 20 30 CDEDLO CC(C)[C@@H](C#N)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000264771852 363148366 /nfs/dbraw/zinc/14/83/66/363148366.db2.gz OGAFCEQWGOWZGM-GFCCVEGCSA-N 1 2 269.308 1.545 20 30 CDEDLO C#CCN(CC)C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000271582695 191226920 /nfs/dbraw/zinc/22/69/20/191226920.db2.gz HXCQCNNKYJGGJT-UHFFFAOYSA-N 1 2 284.319 1.063 20 30 CDEDLO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292254371 198219807 /nfs/dbraw/zinc/21/98/07/198219807.db2.gz RADKBFHKDYBUOQ-CQSZACIVSA-N 1 2 293.392 1.024 20 30 CDEDLO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292254371 198219809 /nfs/dbraw/zinc/21/98/09/198219809.db2.gz RADKBFHKDYBUOQ-CQSZACIVSA-N 1 2 293.392 1.024 20 30 CDEDLO C=CCN(C)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000154968538 188174222 /nfs/dbraw/zinc/17/42/22/188174222.db2.gz PRFNQJMQYPGOBS-UHFFFAOYSA-N 1 2 258.325 1.970 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+](C)Cc1nncn1C(C)C ZINC000292475833 198301401 /nfs/dbraw/zinc/30/14/01/198301401.db2.gz RSHNNCSSZVNZEJ-LBPRGKRZSA-N 1 2 252.362 1.618 20 30 CDEDLO C=CCC[C@H](O)C[N@H+](C)Cc1nncn1C(C)C ZINC000292475833 198301403 /nfs/dbraw/zinc/30/14/03/198301403.db2.gz RSHNNCSSZVNZEJ-LBPRGKRZSA-N 1 2 252.362 1.618 20 30 CDEDLO C=CCOc1cccc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000157582428 188325637 /nfs/dbraw/zinc/32/56/37/188325637.db2.gz GABRGQHIQGUKCL-CQSZACIVSA-N 1 2 295.404 1.870 20 30 CDEDLO C=CCOc1cccc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000157582428 188325638 /nfs/dbraw/zinc/32/56/38/188325638.db2.gz GABRGQHIQGUKCL-CQSZACIVSA-N 1 2 295.404 1.870 20 30 CDEDLO C=C[C@@H](C)ONC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000845636992 684786490 /nfs/dbraw/zinc/78/64/90/684786490.db2.gz USGDBRNXHDEZKB-LLVKDONJSA-N 1 2 264.329 1.736 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293072023 198516152 /nfs/dbraw/zinc/51/61/52/198516152.db2.gz JAAJQDHLJKIRMI-UHFFFAOYSA-N 1 2 289.335 1.929 20 30 CDEDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000365250674 363295903 /nfs/dbraw/zinc/29/59/03/363295903.db2.gz AQXSNOWSFUBMPF-SNVBAGLBSA-N 1 2 261.300 1.408 20 30 CDEDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000365250674 363295910 /nfs/dbraw/zinc/29/59/10/363295910.db2.gz AQXSNOWSFUBMPF-SNVBAGLBSA-N 1 2 261.300 1.408 20 30 CDEDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1cc(C)nn1CCC#N ZINC000492535593 366170187 /nfs/dbraw/zinc/17/01/87/366170187.db2.gz OGSALFOYVRNRLI-AATRIKPKSA-N 1 2 298.350 1.974 20 30 CDEDLO Cc1ccc(/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C)nc1 ZINC000493217089 366203528 /nfs/dbraw/zinc/20/35/28/366203528.db2.gz CKAXHPVUQNJKTF-KIUWMYQTSA-N 1 2 272.352 1.363 20 30 CDEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCCC#N)C1 ZINC000331139954 412602178 /nfs/dbraw/zinc/60/21/78/412602178.db2.gz JWAXZTQSCWPPPZ-LBPRGKRZSA-N 1 2 275.356 1.502 20 30 CDEDLO C[N@H+](C[C@@H]1CCCCO1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000342635727 356096543 /nfs/dbraw/zinc/09/65/43/356096543.db2.gz QOWFDUAHYXGSLQ-GJZGRUSLSA-N 1 2 287.363 1.586 20 30 CDEDLO C[N@@H+](C[C@@H]1CCCCO1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000342635727 356096544 /nfs/dbraw/zinc/09/65/44/356096544.db2.gz QOWFDUAHYXGSLQ-GJZGRUSLSA-N 1 2 287.363 1.586 20 30 CDEDLO C[C@H]1C[NH+](CCOc2ccc(C#N)cc2)C[C@H](C)S1=O ZINC000331148578 356852362 /nfs/dbraw/zinc/85/23/62/356852362.db2.gz HGZKLHPCRREULX-STQMWFEESA-N 1 2 292.404 1.778 20 30 CDEDLO C=CC[N@@H+](CCc1ccco1)[C@H](C)c1nnnn1C ZINC000299138497 356975981 /nfs/dbraw/zinc/97/59/81/356975981.db2.gz WENRKQCCWUQMJG-LLVKDONJSA-N 1 2 261.329 1.595 20 30 CDEDLO C=CC[N@H+](CCc1ccco1)[C@H](C)c1nnnn1C ZINC000299138497 356975982 /nfs/dbraw/zinc/97/59/82/356975982.db2.gz WENRKQCCWUQMJG-LLVKDONJSA-N 1 2 261.329 1.595 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)NCc1[nH+]ccn1C ZINC000344177901 356959189 /nfs/dbraw/zinc/95/91/89/356959189.db2.gz XEJMXRZKIFIURU-UHFFFAOYSA-N 1 2 285.307 1.622 20 30 CDEDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000165481433 357067143 /nfs/dbraw/zinc/06/71/43/357067143.db2.gz OVZJWHJMATYFAF-AWEZNQCLSA-N 1 2 257.337 1.577 20 30 CDEDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000165481433 357067146 /nfs/dbraw/zinc/06/71/46/357067146.db2.gz OVZJWHJMATYFAF-AWEZNQCLSA-N 1 2 257.337 1.577 20 30 CDEDLO CCCN(CC#N)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000048953549 357201892 /nfs/dbraw/zinc/20/18/92/357201892.db2.gz IKPIYPPQAYEFBW-UHFFFAOYSA-N 1 2 269.308 1.643 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cc(C#N)c[nH]1)CCC2 ZINC000334455113 357587344 /nfs/dbraw/zinc/58/73/44/357587344.db2.gz FVPCNRFLCUQRCA-GFCCVEGCSA-N 1 2 283.335 1.699 20 30 CDEDLO CNC(=O)[C@@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000187720606 357799314 /nfs/dbraw/zinc/79/93/14/357799314.db2.gz VLLGXUSREATEQM-RISCZKNCSA-N 1 2 273.336 1.066 20 30 CDEDLO CNC(=O)[C@@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000187720606 357799318 /nfs/dbraw/zinc/79/93/18/357799318.db2.gz VLLGXUSREATEQM-RISCZKNCSA-N 1 2 273.336 1.066 20 30 CDEDLO CCN1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1=O ZINC000190227386 358061213 /nfs/dbraw/zinc/06/12/13/358061213.db2.gz PZCIYBPGAXINSU-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO CCN1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1=O ZINC000190227386 358061217 /nfs/dbraw/zinc/06/12/17/358061217.db2.gz PZCIYBPGAXINSU-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO N#Cc1ccc(OCC[N@@H+]2CCOC[C@@]23CCOC3)cc1 ZINC000193665200 358314249 /nfs/dbraw/zinc/31/42/49/358314249.db2.gz DQHXWLFDGRFQLC-INIZCTEOSA-N 1 2 288.347 1.428 20 30 CDEDLO N#Cc1ccc(OCC[N@H+]2CCOC[C@@]23CCOC3)cc1 ZINC000193665200 358314252 /nfs/dbraw/zinc/31/42/52/358314252.db2.gz DQHXWLFDGRFQLC-INIZCTEOSA-N 1 2 288.347 1.428 20 30 CDEDLO COCC[N@H+](Cc1cc[nH]n1)Cc1ccc(C#N)cc1 ZINC000092567990 358554170 /nfs/dbraw/zinc/55/41/70/358554170.db2.gz WSIGLMNFXCQCDH-UHFFFAOYSA-N 1 2 270.336 1.930 20 30 CDEDLO COCC[N@@H+](Cc1cc[nH]n1)Cc1ccc(C#N)cc1 ZINC000092567990 358554171 /nfs/dbraw/zinc/55/41/71/358554171.db2.gz WSIGLMNFXCQCDH-UHFFFAOYSA-N 1 2 270.336 1.930 20 30 CDEDLO C[C@@H]1C[NH+]=C(N2CCN(c3cc(C#N)ccn3)CC2)S1 ZINC000287499660 358665387 /nfs/dbraw/zinc/66/53/87/358665387.db2.gz YRANKCOJQJZCHE-LLVKDONJSA-N 1 2 287.392 1.567 20 30 CDEDLO CCS(=O)(=O)N1CC[N@H+](CCC(C)(C)C#N)[C@@H](C)C1 ZINC000347291049 359245303 /nfs/dbraw/zinc/24/53/03/359245303.db2.gz NKOGMWPXKFNYCS-LBPRGKRZSA-N 1 2 287.429 1.282 20 30 CDEDLO CCS(=O)(=O)N1CC[N@@H+](CCC(C)(C)C#N)[C@@H](C)C1 ZINC000347291049 359245304 /nfs/dbraw/zinc/24/53/04/359245304.db2.gz NKOGMWPXKFNYCS-LBPRGKRZSA-N 1 2 287.429 1.282 20 30 CDEDLO CC#CC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000268652137 359362511 /nfs/dbraw/zinc/36/25/11/359362511.db2.gz GSWHBADWTLLHHJ-HZPDHXFCSA-N 1 2 259.349 1.834 20 30 CDEDLO CC#CC[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000268652137 359362519 /nfs/dbraw/zinc/36/25/19/359362519.db2.gz GSWHBADWTLLHHJ-HZPDHXFCSA-N 1 2 259.349 1.834 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000339474181 359404981 /nfs/dbraw/zinc/40/49/81/359404981.db2.gz VLWQYQISWUTQAU-SNVBAGLBSA-N 1 2 269.308 1.250 20 30 CDEDLO C#CCC[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000273404049 359467664 /nfs/dbraw/zinc/46/76/64/359467664.db2.gz WRYUTNNUEOIHHW-UHFFFAOYSA-N 1 2 292.404 1.235 20 30 CDEDLO C=CC[N@@H+](Cc1cn(C)nc1C(=O)OCC)C1CC1 ZINC000274524924 359509287 /nfs/dbraw/zinc/50/92/87/359509287.db2.gz ZMVBQYFEPKITGI-UHFFFAOYSA-N 1 2 263.341 1.747 20 30 CDEDLO C=CC[N@H+](Cc1cn(C)nc1C(=O)OCC)C1CC1 ZINC000274524924 359509295 /nfs/dbraw/zinc/50/92/95/359509295.db2.gz ZMVBQYFEPKITGI-UHFFFAOYSA-N 1 2 263.341 1.747 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCc1cccc(OC)c1)C1CC1 ZINC000274033286 359485675 /nfs/dbraw/zinc/48/56/75/359485675.db2.gz DNJMQLHFZDAYJC-UHFFFAOYSA-N 1 2 272.348 1.409 20 30 CDEDLO C#CC[N@H+](CC(=O)NCc1cccc(OC)c1)C1CC1 ZINC000274033286 359485680 /nfs/dbraw/zinc/48/56/80/359485680.db2.gz DNJMQLHFZDAYJC-UHFFFAOYSA-N 1 2 272.348 1.409 20 30 CDEDLO C#CC[N@@H+](C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000274119409 359491188 /nfs/dbraw/zinc/49/11/88/359491188.db2.gz GQWFDKDQCHDJIZ-HNNXBMFYSA-N 1 2 293.388 1.221 20 30 CDEDLO C#CC[N@H+](C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000274119409 359491191 /nfs/dbraw/zinc/49/11/91/359491191.db2.gz GQWFDKDQCHDJIZ-HNNXBMFYSA-N 1 2 293.388 1.221 20 30 CDEDLO C=C(C)CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000275102121 359530993 /nfs/dbraw/zinc/53/09/93/359530993.db2.gz DNIBSICHCFTSFJ-UHFFFAOYSA-N 1 2 274.364 1.825 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(C(N)=O)c2)n1 ZINC000279705441 359593812 /nfs/dbraw/zinc/59/38/12/359593812.db2.gz JOPKSVAVICMSQO-UHFFFAOYSA-N 1 2 296.374 1.637 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccc(C(N)=O)c2)n1 ZINC000279705441 359593814 /nfs/dbraw/zinc/59/38/14/359593814.db2.gz JOPKSVAVICMSQO-UHFFFAOYSA-N 1 2 296.374 1.637 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H]2CCCCNC2=O)n1 ZINC000279758551 359594607 /nfs/dbraw/zinc/59/46/07/359594607.db2.gz RDXWPNSEGQCVKK-CQSZACIVSA-N 1 2 274.368 1.007 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)[C@@H]2CCCCNC2=O)n1 ZINC000279758551 359594610 /nfs/dbraw/zinc/59/46/10/359594610.db2.gz RDXWPNSEGQCVKK-CQSZACIVSA-N 1 2 274.368 1.007 20 30 CDEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000408428759 359769049 /nfs/dbraw/zinc/76/90/49/359769049.db2.gz VTQUGGXSXZAOAH-GHMZBOCLSA-N 1 2 273.336 1.428 20 30 CDEDLO C[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC000187380499 359934827 /nfs/dbraw/zinc/93/48/27/359934827.db2.gz CFUYXJQWPUDKLE-DOMZBBRYSA-N 1 2 274.339 1.763 20 30 CDEDLO C[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC000187380499 359934834 /nfs/dbraw/zinc/93/48/34/359934834.db2.gz CFUYXJQWPUDKLE-DOMZBBRYSA-N 1 2 274.339 1.763 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(C#N)ccc2OC)C1=O ZINC000337219613 360033826 /nfs/dbraw/zinc/03/38/26/360033826.db2.gz JZQHVEBREHTAAB-HNNXBMFYSA-N 1 2 299.374 1.786 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(C#N)ccc2OC)C1=O ZINC000337219613 360033830 /nfs/dbraw/zinc/03/38/30/360033830.db2.gz JZQHVEBREHTAAB-HNNXBMFYSA-N 1 2 299.374 1.786 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(C)nc2)C1=O ZINC000337243828 360043246 /nfs/dbraw/zinc/04/32/46/360043246.db2.gz HTXGDUYWXPXGEP-CYBMUJFWSA-N 1 2 260.341 1.004 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(C)nc2)C1=O ZINC000337243828 360043252 /nfs/dbraw/zinc/04/32/52/360043252.db2.gz HTXGDUYWXPXGEP-CYBMUJFWSA-N 1 2 260.341 1.004 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1ccnn1C ZINC000348409921 360058095 /nfs/dbraw/zinc/05/80/95/360058095.db2.gz RPSSZLFUVZVHHM-CYBMUJFWSA-N 1 2 278.400 1.665 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1ccnn1C ZINC000348409921 360058099 /nfs/dbraw/zinc/05/80/99/360058099.db2.gz RPSSZLFUVZVHHM-CYBMUJFWSA-N 1 2 278.400 1.665 20 30 CDEDLO C=CCOc1ccccc1C[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000337417635 360104387 /nfs/dbraw/zinc/10/43/87/360104387.db2.gz UTUAIBJBNUIRSX-AWEZNQCLSA-N 1 2 295.404 1.870 20 30 CDEDLO C=CCOc1ccccc1C[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000337417635 360104393 /nfs/dbraw/zinc/10/43/93/360104393.db2.gz UTUAIBJBNUIRSX-AWEZNQCLSA-N 1 2 295.404 1.870 20 30 CDEDLO C=CCOCC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000337575023 360242892 /nfs/dbraw/zinc/24/28/92/360242892.db2.gz FREMCMYEAJAOIE-AWEZNQCLSA-N 1 2 278.327 1.501 20 30 CDEDLO N#CC1(C(=O)N2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC000044292405 360312862 /nfs/dbraw/zinc/31/28/62/360312862.db2.gz LGIDFLGWTAGSKO-UHFFFAOYSA-N 1 2 284.363 1.814 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(F)c(C)c2)CC1 ZINC000085276475 360577994 /nfs/dbraw/zinc/57/79/94/360577994.db2.gz BMDHCFJXVDPLOV-UHFFFAOYSA-N 1 2 289.354 1.323 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000245606228 360719420 /nfs/dbraw/zinc/71/94/20/360719420.db2.gz KBPUIRVXEZUSNX-OCCSQVGLSA-N 1 2 289.383 1.397 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000245606228 360719425 /nfs/dbraw/zinc/71/94/25/360719425.db2.gz KBPUIRVXEZUSNX-OCCSQVGLSA-N 1 2 289.383 1.397 20 30 CDEDLO C=CCNC(=O)C[NH2+]C(C)(C)c1cc(C(F)(F)F)on1 ZINC000429237642 360784636 /nfs/dbraw/zinc/78/46/36/360784636.db2.gz PHFQFAVJQFIQAV-UHFFFAOYSA-N 1 2 291.273 1.820 20 30 CDEDLO CC#CC[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000157481575 360884905 /nfs/dbraw/zinc/88/49/05/360884905.db2.gz QQHQZVGSIJPGFK-IYBDPMFKSA-N 1 2 291.439 1.132 20 30 CDEDLO CC#CCN1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000157481575 360884911 /nfs/dbraw/zinc/88/49/11/360884911.db2.gz QQHQZVGSIJPGFK-IYBDPMFKSA-N 1 2 291.439 1.132 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(-n2cncn2)c(F)c1 ZINC000535787451 361129316 /nfs/dbraw/zinc/12/93/16/361129316.db2.gz UMIJCIIXRCJHEM-LLVKDONJSA-N 1 2 273.315 1.998 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(-n2cncn2)c(F)c1 ZINC000535787451 361129325 /nfs/dbraw/zinc/12/93/25/361129325.db2.gz UMIJCIIXRCJHEM-LLVKDONJSA-N 1 2 273.315 1.998 20 30 CDEDLO COC(C[N@H+](CCCO)Cc1cc(C#N)ccc1F)OC ZINC000180638336 189267188 /nfs/dbraw/zinc/26/71/88/189267188.db2.gz IPXAEAOGDACMNN-UHFFFAOYSA-N 1 2 296.342 1.501 20 30 CDEDLO COC(C[N@@H+](CCCO)Cc1cc(C#N)ccc1F)OC ZINC000180638336 189267189 /nfs/dbraw/zinc/26/71/89/189267189.db2.gz IPXAEAOGDACMNN-UHFFFAOYSA-N 1 2 296.342 1.501 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433312249 361231262 /nfs/dbraw/zinc/23/12/62/361231262.db2.gz LBPVKRGKEVBFKK-SWLSCSKDSA-N 1 2 278.400 1.911 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433312249 361231267 /nfs/dbraw/zinc/23/12/67/361231267.db2.gz LBPVKRGKEVBFKK-SWLSCSKDSA-N 1 2 278.400 1.911 20 30 CDEDLO C[C@H](C(=O)NC1CCCC1)[N@H+](C)CC(C)(C)C#N ZINC000433326926 361233605 /nfs/dbraw/zinc/23/36/05/361233605.db2.gz QBJQJJDWJKNXKS-LLVKDONJSA-N 1 2 251.374 1.915 20 30 CDEDLO C[C@H](C(=O)NC1CCCC1)[N@@H+](C)CC(C)(C)C#N ZINC000433326926 361233616 /nfs/dbraw/zinc/23/36/16/361233616.db2.gz QBJQJJDWJKNXKS-LLVKDONJSA-N 1 2 251.374 1.915 20 30 CDEDLO C=CC[C@H](CO)CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000433762985 361267077 /nfs/dbraw/zinc/26/70/77/361267077.db2.gz BUKILAYQUXBPRJ-LBPRGKRZSA-N 1 2 294.424 1.626 20 30 CDEDLO C=CC[C@H](CO)CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000433762985 361267079 /nfs/dbraw/zinc/26/70/79/361267079.db2.gz BUKILAYQUXBPRJ-LBPRGKRZSA-N 1 2 294.424 1.626 20 30 CDEDLO CN1C(=O)N[C@@H]2C[N@@H+](CC(=O)NC3CCCC3)CC[C@@H]21 ZINC000329004206 361437752 /nfs/dbraw/zinc/43/77/52/361437752.db2.gz YFXPHFOPDNFYIB-NEPJUHHUSA-N 1 2 280.372 1.188 20 30 CDEDLO CN1C(=O)N[C@@H]2C[N@H+](CC(=O)NC3CCCC3)CC[C@@H]21 ZINC000329004206 361437758 /nfs/dbraw/zinc/43/77/58/361437758.db2.gz YFXPHFOPDNFYIB-NEPJUHHUSA-N 1 2 280.372 1.188 20 30 CDEDLO C[C@H](NC(=O)NCc1[nH+]ccn1C)[C@H]1CCCOC1 ZINC000329364959 361490723 /nfs/dbraw/zinc/49/07/23/361490723.db2.gz GEYCASVIHOOKEC-QWRGUYRKSA-N 1 2 266.345 1.239 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000351147025 361606959 /nfs/dbraw/zinc/60/69/59/361606959.db2.gz QHMZOKKECUEHJA-HUUCEWRRSA-N 1 2 280.412 1.932 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000351147025 361606960 /nfs/dbraw/zinc/60/69/60/361606960.db2.gz QHMZOKKECUEHJA-HUUCEWRRSA-N 1 2 280.412 1.932 20 30 CDEDLO C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)c1ccc(C#N)o1 ZINC000356812488 291284071 /nfs/dbraw/zinc/28/40/71/291284071.db2.gz PPFTVCVWGVKHBH-AAEUAGOBSA-N 1 2 289.335 1.086 20 30 CDEDLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000329662238 361672751 /nfs/dbraw/zinc/67/27/51/361672751.db2.gz PGBIJYYJYKLQEQ-BDAKNGLRSA-N 1 2 279.344 1.197 20 30 CDEDLO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000329662238 361672754 /nfs/dbraw/zinc/67/27/54/361672754.db2.gz PGBIJYYJYKLQEQ-BDAKNGLRSA-N 1 2 279.344 1.197 20 30 CDEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc(C#N)c(C)n1 ZINC000456401243 364315486 /nfs/dbraw/zinc/31/54/86/364315486.db2.gz VPUGCCOMQUBVKZ-NSHDSACASA-N 1 2 283.335 1.969 20 30 CDEDLO C#CCOCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000302149180 364447801 /nfs/dbraw/zinc/44/78/01/364447801.db2.gz LOFYZGWSGPUHAO-UHFFFAOYSA-N 1 2 260.341 1.529 20 30 CDEDLO C#CCOCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000302149180 364447806 /nfs/dbraw/zinc/44/78/06/364447806.db2.gz LOFYZGWSGPUHAO-UHFFFAOYSA-N 1 2 260.341 1.529 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCC2(OC)CCC2)nn1 ZINC000641168337 365146028 /nfs/dbraw/zinc/14/60/28/365146028.db2.gz HCZNLHTXUHNKNK-UHFFFAOYSA-N 1 2 262.357 1.350 20 30 CDEDLO COC(=O)C(C)(C)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000268673972 365351443 /nfs/dbraw/zinc/35/14/43/365351443.db2.gz KWJWYYMEJNZCNK-LBPRGKRZSA-N 1 2 262.309 1.133 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000271004247 366950841 /nfs/dbraw/zinc/95/08/41/366950841.db2.gz GVESPLJULKXWJD-ZDUSSCGKSA-N 1 2 273.336 1.229 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000271004247 366950847 /nfs/dbraw/zinc/95/08/47/366950847.db2.gz GVESPLJULKXWJD-ZDUSSCGKSA-N 1 2 273.336 1.229 20 30 CDEDLO CCC(C#N)(CC)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000529366425 368075085 /nfs/dbraw/zinc/07/50/85/368075085.db2.gz OWXROBDRPMSZDI-KGLIPLIRSA-N 1 2 293.411 1.638 20 30 CDEDLO COCC[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441217630 368534890 /nfs/dbraw/zinc/53/48/90/368534890.db2.gz OFQWBJYCTFQYJE-UHFFFAOYSA-N 1 2 272.308 1.686 20 30 CDEDLO COCC[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441217630 368534895 /nfs/dbraw/zinc/53/48/95/368534895.db2.gz OFQWBJYCTFQYJE-UHFFFAOYSA-N 1 2 272.308 1.686 20 30 CDEDLO C=CCOCCCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000361521335 368871038 /nfs/dbraw/zinc/87/10/38/368871038.db2.gz BUTGCVTYAMXXQV-UHFFFAOYSA-N 1 2 292.379 1.907 20 30 CDEDLO Cc1nc(NCC2CCN(CC#N)CC2)c2c([nH+]1)CCCC2 ZINC000543876355 368989102 /nfs/dbraw/zinc/98/91/02/368989102.db2.gz CTXWSOMAXPVPMZ-UHFFFAOYSA-N 1 2 299.422 1.733 20 30 CDEDLO CCc1ccsc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000582276555 369878541 /nfs/dbraw/zinc/87/85/41/369878541.db2.gz LBWKVJSHAIIGKL-CYBMUJFWSA-N 1 2 265.382 1.884 20 30 CDEDLO C=CCSCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000572539683 370211898 /nfs/dbraw/zinc/21/18/98/370211898.db2.gz INERFGQBUOLJPF-SNVBAGLBSA-N 1 2 253.371 1.624 20 30 CDEDLO C=CCSCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000572539683 370211903 /nfs/dbraw/zinc/21/19/03/370211903.db2.gz INERFGQBUOLJPF-SNVBAGLBSA-N 1 2 253.371 1.624 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000554552428 370225035 /nfs/dbraw/zinc/22/50/35/370225035.db2.gz XYHNTLDNOWKOCB-GFCCVEGCSA-N 1 2 256.309 1.319 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc2cnccc21 ZINC000565052525 370341252 /nfs/dbraw/zinc/34/12/52/370341252.db2.gz ZMPUFKGGXHTSIB-INIZCTEOSA-N 1 2 282.347 1.808 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000567595505 371054076 /nfs/dbraw/zinc/05/40/76/371054076.db2.gz KJTWEPXSWZOVSP-NWDGAFQWSA-N 1 2 251.330 1.278 20 30 CDEDLO CCNC(=O)NC(=O)[C@@H](C)[N@H+](CCC#N)CC(CC)CC ZINC000157152958 371148290 /nfs/dbraw/zinc/14/82/90/371148290.db2.gz ABMKJVUVNBKCBB-GFCCVEGCSA-N 1 2 296.415 1.872 20 30 CDEDLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CCC#N)CC(CC)CC ZINC000157152958 371148295 /nfs/dbraw/zinc/14/82/95/371148295.db2.gz ABMKJVUVNBKCBB-GFCCVEGCSA-N 1 2 296.415 1.872 20 30 CDEDLO C#CCSCCNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000172604666 372407953 /nfs/dbraw/zinc/40/79/53/372407953.db2.gz JKOISXFMCIOSBC-UHFFFAOYSA-N 1 2 287.388 1.827 20 30 CDEDLO Cc1oncc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000181729802 372580107 /nfs/dbraw/zinc/58/01/07/372580107.db2.gz RHACAURUZZXDBU-UHFFFAOYSA-N 1 2 278.356 1.031 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cccnc2Cl)CC1 ZINC000299630758 372692823 /nfs/dbraw/zinc/69/28/23/372692823.db2.gz GLJKLEWBYHDXPQ-UHFFFAOYSA-N 1 2 277.755 1.516 20 30 CDEDLO CC(=O)N[C@@H](C)C1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356440673 373847596 /nfs/dbraw/zinc/84/75/96/373847596.db2.gz QLDAEQYXEPBZCA-JTQLQIEISA-N 1 2 292.408 1.751 20 30 CDEDLO N#Cc1nc(C2CC2)oc1N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000619511030 374051852 /nfs/dbraw/zinc/05/18/52/374051852.db2.gz RTEKUDVOJRNOQJ-UHFFFAOYSA-N 1 2 298.350 1.469 20 30 CDEDLO N#Cc1nc(C2CC2)oc1N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000619511030 374051855 /nfs/dbraw/zinc/05/18/55/374051855.db2.gz RTEKUDVOJRNOQJ-UHFFFAOYSA-N 1 2 298.350 1.469 20 30 CDEDLO N#Cc1ccccc1OCC(=O)Nc1cc[nH+]cc1O ZINC000109889630 374077111 /nfs/dbraw/zinc/07/71/11/374077111.db2.gz WRMANFXOWAAQTD-UHFFFAOYSA-N 1 2 269.260 1.676 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351920500 374295306 /nfs/dbraw/zinc/29/53/06/374295306.db2.gz CBZHVKKKACVGLN-BPNCWPANSA-N 1 2 274.320 1.085 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351920500 374295317 /nfs/dbraw/zinc/29/53/17/374295317.db2.gz CBZHVKKKACVGLN-BPNCWPANSA-N 1 2 274.320 1.085 20 30 CDEDLO N#CCNC(=O)C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000066491716 374335204 /nfs/dbraw/zinc/33/52/04/374335204.db2.gz WZYJJUHVVKCQFP-UHFFFAOYSA-N 1 2 271.320 1.121 20 30 CDEDLO N#CCNC(=O)C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000066491716 374335210 /nfs/dbraw/zinc/33/52/10/374335210.db2.gz WZYJJUHVVKCQFP-UHFFFAOYSA-N 1 2 271.320 1.121 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000369047781 374345823 /nfs/dbraw/zinc/34/58/23/374345823.db2.gz LLRDRCHXVQPUAF-HNNXBMFYSA-N 1 2 271.320 1.633 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000369047781 374345827 /nfs/dbraw/zinc/34/58/27/374345827.db2.gz LLRDRCHXVQPUAF-HNNXBMFYSA-N 1 2 271.320 1.633 20 30 CDEDLO N#Cc1ccc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)cn1 ZINC000369085225 374346162 /nfs/dbraw/zinc/34/61/62/374346162.db2.gz RBYIRTHHWJGNDZ-CQSZACIVSA-N 1 2 283.335 1.626 20 30 CDEDLO CN(C)C(=O)N1CC[N@H+](CC2(C#N)CC2)C(C)(C)C1 ZINC000334171523 374535436 /nfs/dbraw/zinc/53/54/36/374535436.db2.gz AAWKVQUIVSJVPP-UHFFFAOYSA-N 1 2 264.373 1.368 20 30 CDEDLO CN(C)C(=O)N1CC[N@@H+](CC2(C#N)CC2)C(C)(C)C1 ZINC000334171523 374535443 /nfs/dbraw/zinc/53/54/43/374535443.db2.gz AAWKVQUIVSJVPP-UHFFFAOYSA-N 1 2 264.373 1.368 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CC[S@](=O)C1 ZINC000277471334 374789264 /nfs/dbraw/zinc/78/92/64/374789264.db2.gz MANQYTROMSWIDI-ZMZPIMSZSA-N 1 2 265.382 1.097 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CC[S@](=O)C1 ZINC000277471334 374789271 /nfs/dbraw/zinc/78/92/71/374789271.db2.gz MANQYTROMSWIDI-ZMZPIMSZSA-N 1 2 265.382 1.097 20 30 CDEDLO C[C@H]1OCC[N@H+](CC(=O)NCc2cccc(C#N)c2)[C@@H]1C ZINC000331174306 374900260 /nfs/dbraw/zinc/90/02/60/374900260.db2.gz PAMUUPPWXDBENG-CHWSQXEVSA-N 1 2 287.363 1.284 20 30 CDEDLO C[C@H]1OCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)[C@@H]1C ZINC000331174306 374900268 /nfs/dbraw/zinc/90/02/68/374900268.db2.gz PAMUUPPWXDBENG-CHWSQXEVSA-N 1 2 287.363 1.284 20 30 CDEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000330550269 374862346 /nfs/dbraw/zinc/86/23/46/374862346.db2.gz CBMQLGFZBJZOKU-SWLSCSKDSA-N 1 2 287.363 1.456 20 30 CDEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000330550269 374862351 /nfs/dbraw/zinc/86/23/51/374862351.db2.gz CBMQLGFZBJZOKU-SWLSCSKDSA-N 1 2 287.363 1.456 20 30 CDEDLO CCN(CCC#N)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000343166436 375020395 /nfs/dbraw/zinc/02/03/95/375020395.db2.gz QWCNUEYSVKMBIP-UHFFFAOYSA-N 1 2 273.327 1.726 20 30 CDEDLO CC(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000048577324 375323710 /nfs/dbraw/zinc/32/37/10/375323710.db2.gz NDPSMYYMCMJKEM-AWEZNQCLSA-N 1 2 275.327 1.798 20 30 CDEDLO CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000048577324 375323718 /nfs/dbraw/zinc/32/37/18/375323718.db2.gz NDPSMYYMCMJKEM-AWEZNQCLSA-N 1 2 275.327 1.798 20 30 CDEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000227019333 375416654 /nfs/dbraw/zinc/41/66/54/375416654.db2.gz ZAPBDSUHEIZMJV-LBPRGKRZSA-N 1 2 293.392 1.191 20 30 CDEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000227019333 375416658 /nfs/dbraw/zinc/41/66/58/375416658.db2.gz ZAPBDSUHEIZMJV-LBPRGKRZSA-N 1 2 293.392 1.191 20 30 CDEDLO Cn1cc(C[NH+]2CCN(Cc3ccc(C#N)o3)CC2)cn1 ZINC000353436634 375528494 /nfs/dbraw/zinc/52/84/94/375528494.db2.gz POGJVDOZXTYEKR-UHFFFAOYSA-N 1 2 285.351 1.203 20 30 CDEDLO Cn1cc(CN2CC[NH+](Cc3ccc(C#N)o3)CC2)cn1 ZINC000353436634 375528498 /nfs/dbraw/zinc/52/84/98/375528498.db2.gz POGJVDOZXTYEKR-UHFFFAOYSA-N 1 2 285.351 1.203 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CSC1(C)C ZINC000328714963 375935960 /nfs/dbraw/zinc/93/59/60/375935960.db2.gz CPIZCSNUYCLOGF-GHMZBOCLSA-N 1 2 287.429 1.105 20 30 CDEDLO Cc1cnc(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)o1 ZINC000328866357 375992118 /nfs/dbraw/zinc/99/21/18/375992118.db2.gz NVKZZKYQWLORKB-SNVBAGLBSA-N 1 2 275.312 1.752 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC000328865414 375992705 /nfs/dbraw/zinc/99/27/05/375992705.db2.gz BSFCHIIKYWBYAK-NEPJUHHUSA-N 1 2 288.413 1.252 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC000328865414 375992709 /nfs/dbraw/zinc/99/27/09/375992709.db2.gz BSFCHIIKYWBYAK-NEPJUHHUSA-N 1 2 288.413 1.252 20 30 CDEDLO CCn1cc[nH+]c1CNC(=O)c1ccc(C#N)c(C)n1 ZINC000295585139 376354185 /nfs/dbraw/zinc/35/41/85/376354185.db2.gz HJAOXZANKAPPNT-UHFFFAOYSA-N 1 2 269.308 1.408 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](CC)O[C@H](CC)C1 ZINC000420946991 376491793 /nfs/dbraw/zinc/49/17/93/376491793.db2.gz CIUFZOYKEWGHPO-YNEHKIRRSA-N 1 2 297.399 1.276 20 30 CDEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000072980456 377206164 /nfs/dbraw/zinc/20/61/64/377206164.db2.gz BLDRJEBQUKFAGR-CQSZACIVSA-N 1 2 295.404 1.870 20 30 CDEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000072980456 377206175 /nfs/dbraw/zinc/20/61/75/377206175.db2.gz BLDRJEBQUKFAGR-CQSZACIVSA-N 1 2 295.404 1.870 20 30 CDEDLO COC[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000265752366 190204408 /nfs/dbraw/zinc/20/44/08/190204408.db2.gz FPJMDZRFRRLJTJ-SNVBAGLBSA-N 1 2 279.365 1.527 20 30 CDEDLO COC[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000265752366 190204409 /nfs/dbraw/zinc/20/44/09/190204409.db2.gz FPJMDZRFRRLJTJ-SNVBAGLBSA-N 1 2 279.365 1.527 20 30 CDEDLO CC(C)(CNc1cnccc1C#N)[NH+]1CCOCC1 ZINC000269950438 377825214 /nfs/dbraw/zinc/82/52/14/377825214.db2.gz IXGXATYLQVXZQB-UHFFFAOYSA-N 1 2 260.341 1.476 20 30 CDEDLO Cc1cc(C)cc(NC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000572274573 377833702 /nfs/dbraw/zinc/83/37/02/377833702.db2.gz HFCFOWLPWRBWLL-HNNXBMFYSA-N 1 2 261.369 1.922 20 30 CDEDLO Cc1cc(C)cc(NC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000572274573 377833710 /nfs/dbraw/zinc/83/37/10/377833710.db2.gz HFCFOWLPWRBWLL-HNNXBMFYSA-N 1 2 261.369 1.922 20 30 CDEDLO C=CC[N@H+](CCc1ccco1)Cc1nnc2n1CCOC2 ZINC000280781883 377974513 /nfs/dbraw/zinc/97/45/13/377974513.db2.gz BDCUYJMVBSTBPS-UHFFFAOYSA-N 1 2 288.351 1.632 20 30 CDEDLO C=CC[N@@H+](CCc1ccco1)Cc1nnc2n1CCOC2 ZINC000280781883 377974517 /nfs/dbraw/zinc/97/45/17/377974517.db2.gz BDCUYJMVBSTBPS-UHFFFAOYSA-N 1 2 288.351 1.632 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000192228414 378177872 /nfs/dbraw/zinc/17/78/72/378177872.db2.gz REVYMWCZKISDFP-UHFFFAOYSA-N 1 2 281.699 1.752 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000192228414 378177877 /nfs/dbraw/zinc/17/78/77/378177877.db2.gz REVYMWCZKISDFP-UHFFFAOYSA-N 1 2 281.699 1.752 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000192223704 378178253 /nfs/dbraw/zinc/17/82/53/378178253.db2.gz SDQUBSRRXNPHMC-UHFFFAOYSA-N 1 2 289.354 1.039 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000192223704 378178260 /nfs/dbraw/zinc/17/82/60/378178260.db2.gz SDQUBSRRXNPHMC-UHFFFAOYSA-N 1 2 289.354 1.039 20 30 CDEDLO C#CCC(C)(C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000184889628 378510703 /nfs/dbraw/zinc/51/07/03/378510703.db2.gz OUXUEBIXSTVTBW-UHFFFAOYSA-N 1 2 271.364 1.780 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000186054623 378841166 /nfs/dbraw/zinc/84/11/66/378841166.db2.gz MNZTUCTUVXXJDX-INIZCTEOSA-N 1 2 288.391 1.622 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000186054623 378841171 /nfs/dbraw/zinc/84/11/71/378841171.db2.gz MNZTUCTUVXXJDX-INIZCTEOSA-N 1 2 288.391 1.622 20 30 CDEDLO C[C@@H](C#N)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343373324 378859668 /nfs/dbraw/zinc/85/96/68/378859668.db2.gz OBXNGUNAIQXLFF-JTQLQIEISA-N 1 2 255.281 1.425 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000245962640 379370713 /nfs/dbraw/zinc/37/07/13/379370713.db2.gz VBEFXRPDPGAMFW-LSDHHAIUSA-N 1 2 299.374 1.810 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000245962640 379370723 /nfs/dbraw/zinc/37/07/23/379370723.db2.gz VBEFXRPDPGAMFW-LSDHHAIUSA-N 1 2 299.374 1.810 20 30 CDEDLO C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1ccc(C#N)cc1 ZINC000266662272 190274081 /nfs/dbraw/zinc/27/40/81/190274081.db2.gz XQUFQJUAENUSTQ-SNVBAGLBSA-N 1 2 268.324 1.730 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1noc(-c2ccc(OC)cc2)n1 ZINC000662166121 412913289 /nfs/dbraw/zinc/91/32/89/412913289.db2.gz SKUWGGHTOJIEQU-LLVKDONJSA-N 1 2 275.308 1.382 20 30 CDEDLO C#CC[N@@H+](CC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000266908136 190289635 /nfs/dbraw/zinc/28/96/35/190289635.db2.gz IGAWZGBHWXSQNR-UHFFFAOYSA-N 1 2 261.281 1.149 20 30 CDEDLO C#CC[N@H+](CC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000266908136 190289636 /nfs/dbraw/zinc/28/96/36/190289636.db2.gz IGAWZGBHWXSQNR-UHFFFAOYSA-N 1 2 261.281 1.149 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(OC)cc1OC ZINC000266909689 190289843 /nfs/dbraw/zinc/28/98/43/190289843.db2.gz IOVOSFIQXPAINP-UHFFFAOYSA-N 1 2 276.336 1.597 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(OC)cc1OC ZINC000266909689 190289844 /nfs/dbraw/zinc/28/98/44/190289844.db2.gz IOVOSFIQXPAINP-UHFFFAOYSA-N 1 2 276.336 1.597 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccccc1N1CCCC1=O ZINC000266970443 190294425 /nfs/dbraw/zinc/29/44/25/190294425.db2.gz ZZVUOEYFRSFAEX-UHFFFAOYSA-N 1 2 299.374 1.707 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccccc1N1CCCC1=O ZINC000266970443 190294426 /nfs/dbraw/zinc/29/44/26/190294426.db2.gz ZZVUOEYFRSFAEX-UHFFFAOYSA-N 1 2 299.374 1.707 20 30 CDEDLO CN(Cc1cccc(C#N)c1)C(=O)CCc1[nH]cc[nH+]1 ZINC000279224773 194341602 /nfs/dbraw/zinc/34/16/02/194341602.db2.gz PLCZGDILIXJENS-UHFFFAOYSA-N 1 2 268.320 1.873 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000072979719 285038296 /nfs/dbraw/zinc/03/82/96/285038296.db2.gz XCQUYEPZLDOAPA-CABCVRRESA-N 1 2 295.427 1.741 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOC[C@@H]1CC(C)C ZINC000072979719 285038301 /nfs/dbraw/zinc/03/83/01/285038301.db2.gz XCQUYEPZLDOAPA-CABCVRRESA-N 1 2 295.427 1.741 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cccc(O)c2OC)C1=O ZINC000281109857 195108353 /nfs/dbraw/zinc/10/83/53/195108353.db2.gz BFMYBBHIARSLPY-CYBMUJFWSA-N 1 2 290.363 1.620 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cccc(O)c2OC)C1=O ZINC000281109857 195108354 /nfs/dbraw/zinc/10/83/54/195108354.db2.gz BFMYBBHIARSLPY-CYBMUJFWSA-N 1 2 290.363 1.620 20 30 CDEDLO CN(Cc1cccc(C#N)c1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492762174 253288797 /nfs/dbraw/zinc/28/87/97/253288797.db2.gz HHPYAPFVTODPQP-AATRIKPKSA-N 1 2 266.304 1.953 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)co2)C1=O ZINC000281188229 195141885 /nfs/dbraw/zinc/14/18/85/195141885.db2.gz IDXYZLPTQDUWMH-CYBMUJFWSA-N 1 2 292.335 1.285 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(C(=O)OC)co2)C1=O ZINC000281188229 195141887 /nfs/dbraw/zinc/14/18/87/195141887.db2.gz IDXYZLPTQDUWMH-CYBMUJFWSA-N 1 2 292.335 1.285 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)C[C@@](C)(O)C(F)(F)F)n1 ZINC000281235235 195160316 /nfs/dbraw/zinc/16/03/16/195160316.db2.gz FRRFXEVRCIKROM-GFCCVEGCSA-N 1 2 289.301 1.652 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)C[C@@](C)(O)C(F)(F)F)n1 ZINC000281235235 195160319 /nfs/dbraw/zinc/16/03/19/195160319.db2.gz FRRFXEVRCIKROM-GFCCVEGCSA-N 1 2 289.301 1.652 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCN(CCC)C(=O)C2(C)C)C1=O ZINC000281412288 195230882 /nfs/dbraw/zinc/23/08/82/195230882.db2.gz RFUMPHUGAUTOPB-CYBMUJFWSA-N 1 2 293.411 1.106 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(CCC)C(=O)C2(C)C)C1=O ZINC000281412288 195230884 /nfs/dbraw/zinc/23/08/84/195230884.db2.gz RFUMPHUGAUTOPB-CYBMUJFWSA-N 1 2 293.411 1.106 20 30 CDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@H](F)C2)c1 ZINC000451181705 390603640 /nfs/dbraw/zinc/60/36/40/390603640.db2.gz FZGJYKXFNHGKJG-ZDUSSCGKSA-N 1 2 261.300 1.218 20 30 CDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H](F)C2)c1 ZINC000451181705 390603643 /nfs/dbraw/zinc/60/36/43/390603643.db2.gz FZGJYKXFNHGKJG-ZDUSSCGKSA-N 1 2 261.300 1.218 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368143260 390860064 /nfs/dbraw/zinc/86/00/64/390860064.db2.gz RWQRHSAJQUAGHK-ZFWWWQNUSA-N 1 2 295.427 1.894 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368143260 390860066 /nfs/dbraw/zinc/86/00/66/390860066.db2.gz RWQRHSAJQUAGHK-ZFWWWQNUSA-N 1 2 295.427 1.894 20 30 CDEDLO CC#CC[NH+]1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000158665682 390934976 /nfs/dbraw/zinc/93/49/76/390934976.db2.gz LTIPAOBJQUDVBQ-UHFFFAOYSA-N 1 2 277.412 1.030 20 30 CDEDLO CC#CCN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000158665682 390934977 /nfs/dbraw/zinc/93/49/77/390934977.db2.gz LTIPAOBJQUDVBQ-UHFFFAOYSA-N 1 2 277.412 1.030 20 30 CDEDLO CC(C)c1ccccc1NC(=O)[C@@H](C)O[NH+]=C(N)CCO ZINC000121335175 390884135 /nfs/dbraw/zinc/88/41/35/390884135.db2.gz NLMQAPZEOAHWPC-LLVKDONJSA-N 1 2 293.367 1.808 20 30 CDEDLO Cc1cccc(C)c1NC(=O)[C@@H](C)O[NH+]=C(N)CCO ZINC000121356059 390884687 /nfs/dbraw/zinc/88/46/87/390884687.db2.gz YNKJENOLVCWZSZ-LLVKDONJSA-N 1 2 279.340 1.302 20 30 CDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cccc(C#N)c1 ZINC000092314896 390894270 /nfs/dbraw/zinc/89/42/70/390894270.db2.gz HDGMJOPOIVLEEH-UHFFFAOYSA-N 1 2 274.324 1.262 20 30 CDEDLO N#CCC[N@@H+](Cc1cnc2cnccn12)CC1CC1 ZINC000093091308 390899430 /nfs/dbraw/zinc/89/94/30/390899430.db2.gz OBLFPDJWPQPEAO-UHFFFAOYSA-N 1 2 255.325 1.855 20 30 CDEDLO N#CCC[N@H+](Cc1cnc2cnccn12)CC1CC1 ZINC000093091308 390899432 /nfs/dbraw/zinc/89/94/32/390899432.db2.gz OBLFPDJWPQPEAO-UHFFFAOYSA-N 1 2 255.325 1.855 20 30 CDEDLO O=C(C[N@@H+]1CCOCC2(CC2)C1)NC[C@@H]1CCCO1 ZINC000329487416 390996838 /nfs/dbraw/zinc/99/68/38/390996838.db2.gz XTDJIQZNFCYBBY-LBPRGKRZSA-N 1 2 268.357 1.234 20 30 CDEDLO O=C(C[N@H+]1CCOCC2(CC2)C1)NC[C@@H]1CCCO1 ZINC000329487416 390996841 /nfs/dbraw/zinc/99/68/41/390996841.db2.gz XTDJIQZNFCYBBY-LBPRGKRZSA-N 1 2 268.357 1.234 20 30 CDEDLO C[C@@]1(CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCOC1 ZINC000329527862 391005647 /nfs/dbraw/zinc/00/56/47/391005647.db2.gz HZZBUGKZMZQANJ-HNNXBMFYSA-N 1 2 299.415 1.027 20 30 CDEDLO C[C@@]1(CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)CCOC1 ZINC000329527862 391005652 /nfs/dbraw/zinc/00/56/52/391005652.db2.gz HZZBUGKZMZQANJ-HNNXBMFYSA-N 1 2 299.415 1.027 20 30 CDEDLO [O-]C(NC[C@@H]1CCCSC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000329541183 391009689 /nfs/dbraw/zinc/00/96/89/391009689.db2.gz NHCPQJDFAQNSJT-NWDGAFQWSA-N 1 2 294.424 1.845 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@@H]1CCCSC1 ZINC000329541183 391009693 /nfs/dbraw/zinc/00/96/93/391009693.db2.gz NHCPQJDFAQNSJT-NWDGAFQWSA-N 1 2 294.424 1.845 20 30 CDEDLO C=C(C)C[N@@H+](C)CC(=O)NCC(=O)c1cccs1 ZINC000351096089 391038157 /nfs/dbraw/zinc/03/81/57/391038157.db2.gz GKXRCEAQZPNBAO-UHFFFAOYSA-N 1 2 266.366 1.555 20 30 CDEDLO C=C(C)C[N@H+](C)CC(=O)NCC(=O)c1cccs1 ZINC000351096089 391038161 /nfs/dbraw/zinc/03/81/61/391038161.db2.gz GKXRCEAQZPNBAO-UHFFFAOYSA-N 1 2 266.366 1.555 20 30 CDEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CCCC#N)CCO1 ZINC000373462035 391119986 /nfs/dbraw/zinc/11/99/86/391119986.db2.gz POYREJJIXRSHKO-GFCCVEGCSA-N 1 2 283.372 1.516 20 30 CDEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](CCCC#N)CCO1 ZINC000373462035 391119988 /nfs/dbraw/zinc/11/99/88/391119988.db2.gz POYREJJIXRSHKO-GFCCVEGCSA-N 1 2 283.372 1.516 20 30 CDEDLO N#CC1(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCOCC1 ZINC000265327588 391153918 /nfs/dbraw/zinc/15/39/18/391153918.db2.gz RVYSRGRSEYEEFR-UHFFFAOYSA-N 1 2 296.330 1.675 20 30 CDEDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C)C#N)c1C ZINC000347041383 533408296 /nfs/dbraw/zinc/40/82/96/533408296.db2.gz SVPHEZOFBNNTMS-VIFPVBQESA-N 1 2 261.325 1.825 20 30 CDEDLO Cc1nnc([C@H](C)O[NH+]=C(N)[C@@H](C)OCC(C)C)o1 ZINC000266209871 391171732 /nfs/dbraw/zinc/17/17/32/391171732.db2.gz OASUTJCWGODJHV-BDAKNGLRSA-N 1 2 270.333 1.789 20 30 CDEDLO COc1ccc(C[N@H+](C2CC2)C2COC2)cc1C#N ZINC000296161676 533548120 /nfs/dbraw/zinc/54/81/20/533548120.db2.gz WNEREYOEMKXNOO-UHFFFAOYSA-N 1 2 258.321 1.930 20 30 CDEDLO COc1ccc(C[N@@H+](C2CC2)C2COC2)cc1C#N ZINC000296161676 533548123 /nfs/dbraw/zinc/54/81/23/533548123.db2.gz WNEREYOEMKXNOO-UHFFFAOYSA-N 1 2 258.321 1.930 20 30 CDEDLO CC(C)[C@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CCO1 ZINC000331834252 391217032 /nfs/dbraw/zinc/21/70/32/391217032.db2.gz JVSNPBROKCYQLU-HIFRSBDPSA-N 1 2 279.384 1.152 20 30 CDEDLO CC(C)[C@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CCO1 ZINC000331834252 391217036 /nfs/dbraw/zinc/21/70/36/391217036.db2.gz JVSNPBROKCYQLU-HIFRSBDPSA-N 1 2 279.384 1.152 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCCC2OCCCO2)ccc1F ZINC000268474601 391218260 /nfs/dbraw/zinc/21/82/60/391218260.db2.gz KERNEYCMLKSFAC-UHFFFAOYSA-N 1 2 282.315 1.924 20 30 CDEDLO CO[C@@H](C)CO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000181602752 391225474 /nfs/dbraw/zinc/22/54/74/391225474.db2.gz SYRYUAIHIKKWIR-LBPRGKRZSA-N 1 2 292.383 1.744 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000269566538 391251652 /nfs/dbraw/zinc/25/16/52/391251652.db2.gz MJWADNDZQFVGGQ-NEPJUHHUSA-N 1 2 288.351 1.815 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000269566538 391251657 /nfs/dbraw/zinc/25/16/57/391251657.db2.gz MJWADNDZQFVGGQ-NEPJUHHUSA-N 1 2 288.351 1.815 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N(C)CC[NH+]1CCOCC1)OCC ZINC000339198435 391266394 /nfs/dbraw/zinc/26/63/94/391266394.db2.gz HHPBGFHZFIKCKI-CQSZACIVSA-N 1 2 284.400 1.148 20 30 CDEDLO Cn1ccnc1C[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000270990255 391284759 /nfs/dbraw/zinc/28/47/59/391284759.db2.gz HYPRARAEYQJPJX-UHFFFAOYSA-N 1 2 270.336 1.954 20 30 CDEDLO Cn1ccnc1C[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000270990255 391284761 /nfs/dbraw/zinc/28/47/61/391284761.db2.gz HYPRARAEYQJPJX-UHFFFAOYSA-N 1 2 270.336 1.954 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)C(=O)OC ZINC000353286610 391324610 /nfs/dbraw/zinc/32/46/10/391324610.db2.gz MNLBEFGEUHWACD-WFASDCNBSA-N 1 2 293.363 1.657 20 30 CDEDLO CCOC(=O)[C@H]([NH2+]CCC(C)(C)C#N)[C@@H]1CCCOC1 ZINC000346955611 391379125 /nfs/dbraw/zinc/37/91/25/391379125.db2.gz HHZDCFVWRXNNCE-CHWSQXEVSA-N 1 2 282.384 1.874 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)Cc1[nH+]ccn1C ZINC000330598818 391452583 /nfs/dbraw/zinc/45/25/83/391452583.db2.gz WRDDMEWTJQPLRC-SWLSCSKDSA-N 1 2 291.399 1.295 20 30 CDEDLO COc1ccccc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330622685 391460926 /nfs/dbraw/zinc/46/09/26/391460926.db2.gz OFZSEUJBGQZBDU-LBPRGKRZSA-N 1 2 278.352 1.721 20 30 CDEDLO COc1ccccc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330622685 391460929 /nfs/dbraw/zinc/46/09/29/391460929.db2.gz OFZSEUJBGQZBDU-LBPRGKRZSA-N 1 2 278.352 1.721 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000358970570 391571309 /nfs/dbraw/zinc/57/13/09/391571309.db2.gz DKGIYLIKIWKEOK-STQMWFEESA-N 1 2 269.389 1.361 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000358970570 391571312 /nfs/dbraw/zinc/57/13/12/391571312.db2.gz DKGIYLIKIWKEOK-STQMWFEESA-N 1 2 269.389 1.361 20 30 CDEDLO COC(=O)C(C)(C)CCNc1cc(C)[nH+]cc1C#N ZINC000425249025 391656859 /nfs/dbraw/zinc/65/68/59/391656859.db2.gz BNSCLOISSFQNAE-UHFFFAOYSA-N 1 2 261.325 1.685 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCc3cc(F)ccc3C2)C1=O ZINC000282003627 391668954 /nfs/dbraw/zinc/66/89/54/391668954.db2.gz NTOFTFAFOOIPIP-HNNXBMFYSA-N 1 2 274.339 1.971 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCc3cc(F)ccc3C2)C1=O ZINC000282003627 391668958 /nfs/dbraw/zinc/66/89/58/391668958.db2.gz NTOFTFAFOOIPIP-HNNXBMFYSA-N 1 2 274.339 1.971 20 30 CDEDLO C=C[C@@H](C)NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000362370895 391720974 /nfs/dbraw/zinc/72/09/74/391720974.db2.gz ODBJGZXAKWEQDH-GFCCVEGCSA-N 1 2 294.424 1.935 20 30 CDEDLO C=C[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000362370895 391720977 /nfs/dbraw/zinc/72/09/77/391720977.db2.gz ODBJGZXAKWEQDH-GFCCVEGCSA-N 1 2 294.424 1.935 20 30 CDEDLO CCc1csc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000329945273 391804114 /nfs/dbraw/zinc/80/41/14/391804114.db2.gz XEYPIBJJMHQIOV-GHMZBOCLSA-N 1 2 296.396 1.266 20 30 CDEDLO CCc1csc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000329945273 391804119 /nfs/dbraw/zinc/80/41/19/391804119.db2.gz XEYPIBJJMHQIOV-GHMZBOCLSA-N 1 2 296.396 1.266 20 30 CDEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)C[C@H](CO)O1 ZINC000163113209 391902325 /nfs/dbraw/zinc/90/23/25/391902325.db2.gz YSVHBOHTLSGGII-CYBMUJFWSA-N 1 2 278.327 1.669 20 30 CDEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H](CO)O1 ZINC000163113209 391902329 /nfs/dbraw/zinc/90/23/29/391902329.db2.gz YSVHBOHTLSGGII-CYBMUJFWSA-N 1 2 278.327 1.669 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)NC3(C#N)CCOCC3)cc2n1C ZINC000408314418 391908712 /nfs/dbraw/zinc/90/87/12/391908712.db2.gz UHXDMUJWOCRCSN-UHFFFAOYSA-N 1 2 298.346 1.684 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000408323157 391919766 /nfs/dbraw/zinc/91/97/66/391919766.db2.gz XZIMMGGGDCIKKQ-SWLSCSKDSA-N 1 2 281.400 1.540 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000408323157 391919769 /nfs/dbraw/zinc/91/97/69/391919769.db2.gz XZIMMGGGDCIKKQ-SWLSCSKDSA-N 1 2 281.400 1.540 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)cc1 ZINC000246492261 392016895 /nfs/dbraw/zinc/01/68/95/392016895.db2.gz HDNWQDIUMHRUBS-HUUCEWRRSA-N 1 2 269.348 1.801 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)cc1 ZINC000246492261 392016902 /nfs/dbraw/zinc/01/69/02/392016902.db2.gz HDNWQDIUMHRUBS-HUUCEWRRSA-N 1 2 269.348 1.801 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)c2cccc(F)c2C#N)CCO1 ZINC000548632903 392499345 /nfs/dbraw/zinc/49/93/45/392499345.db2.gz LNABUYAENPDHNJ-LLVKDONJSA-N 1 2 291.326 1.148 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cccc(F)c2C#N)CCO1 ZINC000548632903 392499349 /nfs/dbraw/zinc/49/93/49/392499349.db2.gz LNABUYAENPDHNJ-LLVKDONJSA-N 1 2 291.326 1.148 20 30 CDEDLO C=C[C@H](O)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000646601157 392588534 /nfs/dbraw/zinc/58/85/34/392588534.db2.gz XXFNYHBJCWITOY-ZDUSSCGKSA-N 1 2 259.309 1.008 20 30 CDEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1nncn1C ZINC000299553219 392746204 /nfs/dbraw/zinc/74/62/04/392746204.db2.gz CVNJSTOWQGZKNY-NSHDSACASA-N 1 2 255.325 1.880 20 30 CDEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1nncn1C ZINC000299553219 392746208 /nfs/dbraw/zinc/74/62/08/392746208.db2.gz CVNJSTOWQGZKNY-NSHDSACASA-N 1 2 255.325 1.880 20 30 CDEDLO N#Cc1cnc(N2CCN(Cc3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000413134737 392827362 /nfs/dbraw/zinc/82/73/62/392827362.db2.gz JDIHRHXDBSRWBU-UHFFFAOYSA-N 1 2 286.314 1.138 20 30 CDEDLO CCCCOCCOCCNc1cc(C)[nH+]cc1C#N ZINC000425223241 392995737 /nfs/dbraw/zinc/99/57/37/392995737.db2.gz BTYYJRQIZCYJMV-UHFFFAOYSA-N 1 2 277.368 1.929 20 30 CDEDLO Cc1cc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c(C#N)cn1 ZINC000425227495 392997299 /nfs/dbraw/zinc/99/72/99/392997299.db2.gz OXBKTWSSCKOVNE-QWHCGFSZSA-N 1 2 274.368 1.205 20 30 CDEDLO Cc1cc(NC[C@H](O)Cc2ccccc2)c(C#N)c[nH+]1 ZINC000425234232 393000277 /nfs/dbraw/zinc/00/02/77/393000277.db2.gz YMCLCUUKGLHKAZ-OAHLLOKOSA-N 1 2 267.332 1.699 20 30 CDEDLO CNC(=O)[C@@H]1CCC[C@H]1Nc1cc(C)[nH+]cc1C#N ZINC000425243465 393002235 /nfs/dbraw/zinc/00/22/35/393002235.db2.gz FODPROUBJXGERN-VXGBXAGGSA-N 1 2 258.325 1.010 20 30 CDEDLO C[N@H+](Cc1cccnc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000132313166 393097287 /nfs/dbraw/zinc/09/72/87/393097287.db2.gz LNWSFXUXVXDZHP-OAHLLOKOSA-N 1 2 280.331 1.612 20 30 CDEDLO C[N@@H+](Cc1cccnc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000132313166 393097289 /nfs/dbraw/zinc/09/72/89/393097289.db2.gz LNWSFXUXVXDZHP-OAHLLOKOSA-N 1 2 280.331 1.612 20 30 CDEDLO N#Cc1nc(N)n(Cc2cn3cc(Cl)ccc3[nH+]2)c1C#N ZINC000193060625 393208952 /nfs/dbraw/zinc/20/89/52/393208952.db2.gz VHDNTLUVXYKQKZ-UHFFFAOYSA-N 1 2 297.709 1.558 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)CSc1ccccn1 ZINC000414100709 397609069 /nfs/dbraw/zinc/60/90/69/397609069.db2.gz SKBIEVPKHCJJIG-NSHDSACASA-N 1 2 251.355 1.380 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1ccccn1 ZINC000414100709 397609072 /nfs/dbraw/zinc/60/90/72/397609072.db2.gz SKBIEVPKHCJJIG-NSHDSACASA-N 1 2 251.355 1.380 20 30 CDEDLO CC(C)([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1nccs1 ZINC000118848414 398121747 /nfs/dbraw/zinc/12/17/47/398121747.db2.gz HGDKLFGZKRGYGO-AWEZNQCLSA-N 1 2 292.408 1.776 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120069112 398127787 /nfs/dbraw/zinc/12/77/87/398127787.db2.gz GXYGIBLHUGYBSK-NSHDSACASA-N 1 2 296.802 1.871 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120069112 398127792 /nfs/dbraw/zinc/12/77/92/398127792.db2.gz GXYGIBLHUGYBSK-NSHDSACASA-N 1 2 296.802 1.871 20 30 CDEDLO Cc1ccnc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1C#N ZINC000343503388 152204441 /nfs/dbraw/zinc/20/44/41/152204441.db2.gz APMJCSJGCCGKSW-OLZOCXBDSA-N 1 2 274.368 1.783 20 30 CDEDLO N#Cc1ccc(C(=O)CNC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000356190076 157389645 /nfs/dbraw/zinc/38/96/45/157389645.db2.gz NAKAQXKEFONYRP-UHFFFAOYSA-N 1 2 282.303 1.213 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000658333062 413373187 /nfs/dbraw/zinc/37/31/87/413373187.db2.gz LQROXMVANZEPPV-PWSUYJOCSA-N 1 2 285.340 1.181 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1CO ZINC000362068337 159058257 /nfs/dbraw/zinc/05/82/57/159058257.db2.gz RSZCGNVNHXOKRA-GXSJLCMTSA-N 1 2 279.365 1.118 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1CO ZINC000362068337 159058259 /nfs/dbraw/zinc/05/82/59/159058259.db2.gz RSZCGNVNHXOKRA-GXSJLCMTSA-N 1 2 279.365 1.118 20 30 CDEDLO C=CCC1(NC(=O)NCC[NH+]2CCOCC2)CCCC1 ZINC000656551965 413409536 /nfs/dbraw/zinc/40/95/36/413409536.db2.gz KGKLYFOFJUKSEL-UHFFFAOYSA-N 1 2 281.400 1.507 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000371370925 160001015 /nfs/dbraw/zinc/00/10/15/160001015.db2.gz PXSDLQXNAIGKFC-LLVKDONJSA-N 1 2 269.308 1.250 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660850737 413569579 /nfs/dbraw/zinc/56/95/79/413569579.db2.gz RXBIVBJAFZZEMD-JTQLQIEISA-N 1 2 282.344 1.020 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660850737 413569585 /nfs/dbraw/zinc/56/95/85/413569585.db2.gz RXBIVBJAFZZEMD-JTQLQIEISA-N 1 2 282.344 1.020 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2cnsn2)CC1 ZINC001002400275 685242576 /nfs/dbraw/zinc/24/25/76/685242576.db2.gz DVNNIJLAZXGLEW-UHFFFAOYSA-N 1 2 286.788 1.485 20 30 CDEDLO C=C(C)COCC[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657397776 414286401 /nfs/dbraw/zinc/28/64/01/414286401.db2.gz FYYXFSPVVSBGJG-UHFFFAOYSA-N 1 2 253.350 1.110 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1nc([C@H](C)OCC(C)C)no1 ZINC000662167204 414547324 /nfs/dbraw/zinc/54/73/24/414547324.db2.gz VHZQAMGWNXAZCS-WDEREUQCSA-N 1 2 269.345 1.440 20 30 CDEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000071904625 176295443 /nfs/dbraw/zinc/29/54/43/176295443.db2.gz GGQYVLSORNQSCU-MNOVXSKESA-N 1 2 298.383 1.951 20 30 CDEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000071904625 176295444 /nfs/dbraw/zinc/29/54/44/176295444.db2.gz GGQYVLSORNQSCU-MNOVXSKESA-N 1 2 298.383 1.951 20 30 CDEDLO C=CCNC(=O)C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000072031768 176310309 /nfs/dbraw/zinc/31/03/09/176310309.db2.gz ZZFOCSUZSRXYJJ-AWEZNQCLSA-N 1 2 278.352 1.563 20 30 CDEDLO C=CCNC(=O)C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000072031768 176310311 /nfs/dbraw/zinc/31/03/11/176310311.db2.gz ZZFOCSUZSRXYJJ-AWEZNQCLSA-N 1 2 278.352 1.563 20 30 CDEDLO C#CCC[NH+]1CCN(S(=O)(=O)CC(CC)CC)CC1 ZINC000113283169 686808938 /nfs/dbraw/zinc/80/89/38/686808938.db2.gz IWKOATPSIMJCNK-UHFFFAOYSA-N 1 2 286.441 1.393 20 30 CDEDLO O=C(N[C@@H]1CCCCNC1=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329265953 227395373 /nfs/dbraw/zinc/39/53/73/227395373.db2.gz COXFSSBCZHMECV-GHMZBOCLSA-N 1 2 276.340 1.911 20 30 CDEDLO Cc1nc([C@H]2CCCN2C(=O)NCc2c[nH+]cn2C)no1 ZINC000329676828 227837819 /nfs/dbraw/zinc/83/78/19/227837819.db2.gz UYRAKWDPGOHJBE-LLVKDONJSA-N 1 2 290.327 1.363 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1CCO[C@H]1C1CC1 ZINC000330198221 228063236 /nfs/dbraw/zinc/06/32/36/228063236.db2.gz SYLCJMBKGDFDAB-BZPMIXESSA-N 1 2 290.367 1.269 20 30 CDEDLO [O-]C(N[C@@H]1CCO[C@H]1C1CC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330198221 228063239 /nfs/dbraw/zinc/06/32/39/228063239.db2.gz SYLCJMBKGDFDAB-BZPMIXESSA-N 1 2 290.367 1.269 20 30 CDEDLO O=C(NC[C@@H]1CCCOC1)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000330230325 228073324 /nfs/dbraw/zinc/07/33/24/228073324.db2.gz DMMUBYVCSZIXIO-STQMWFEESA-N 1 2 292.383 1.691 20 30 CDEDLO O=C(N[C@H]1CCCC[C@@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000330237111 228075830 /nfs/dbraw/zinc/07/58/30/228075830.db2.gz ALUXROSPLFACMZ-WXHSDQCUSA-N 1 2 263.341 1.706 20 30 CDEDLO C[C@@H]1COCC[C@@H]1NC(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000330330672 228154326 /nfs/dbraw/zinc/15/43/26/228154326.db2.gz NLPMYNRYQQKZQR-AGIUHOORSA-N 1 2 292.383 1.689 20 30 CDEDLO C#CC[N@@H+](CC#CC)C[C@@H](O)c1ccc(F)cc1F ZINC000490712861 261190797 /nfs/dbraw/zinc/19/07/97/261190797.db2.gz HBRVXFKKJWGAEK-OAHLLOKOSA-N 1 2 263.287 1.957 20 30 CDEDLO C#CC[N@H+](CC#CC)C[C@@H](O)c1ccc(F)cc1F ZINC000490712861 261190798 /nfs/dbraw/zinc/19/07/98/261190798.db2.gz HBRVXFKKJWGAEK-OAHLLOKOSA-N 1 2 263.287 1.957 20 30 CDEDLO COc1ccc(C[NH+]2CCN(CC#N)CC2)cc1[N+](=O)[O-] ZINC000103882210 261335850 /nfs/dbraw/zinc/33/58/50/261335850.db2.gz MDGDLSIVJDCJCE-UHFFFAOYSA-N 1 2 290.323 1.245 20 30 CDEDLO NC(COc1cc(F)cc(F)c1)=[NH+]OCCCO ZINC000186833256 262111947 /nfs/dbraw/zinc/11/19/47/262111947.db2.gz BENXEXVQQFQAMH-UHFFFAOYSA-N 1 2 260.240 1.015 20 30 CDEDLO C#CCC(C)(C)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000364078784 262141349 /nfs/dbraw/zinc/14/13/49/262141349.db2.gz IWNWAZRPHNVFCR-UHFFFAOYSA-N 1 2 282.347 1.933 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cccc(F)c1C#N ZINC000188269702 262288079 /nfs/dbraw/zinc/28/80/79/262288079.db2.gz ZILICAMDOPTPGW-LLVKDONJSA-N 1 2 291.326 1.148 20 30 CDEDLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC000929287308 686858508 /nfs/dbraw/zinc/85/85/08/686858508.db2.gz TYWSGHPKHZKNHV-CQSZACIVSA-N 1 2 258.325 1.054 20 30 CDEDLO Cc1cc(C)c(NC(=O)C(=O)N(C)C[C@H](C)C#N)c(C)[nH+]1 ZINC000411381411 262691108 /nfs/dbraw/zinc/69/11/08/262691108.db2.gz CVHKCBGUQGPBIX-SECBINFHSA-N 1 2 288.351 1.563 20 30 CDEDLO COCCN(C)c1ccc(C[N@H+](C)C[C@H](C)C#N)cn1 ZINC000276805950 263038159 /nfs/dbraw/zinc/03/81/59/263038159.db2.gz WSFZBPSZNJRSEK-CYBMUJFWSA-N 1 2 276.384 1.756 20 30 CDEDLO COCCN(C)c1ccc(C[N@@H+](C)C[C@H](C)C#N)cn1 ZINC000276805950 263038160 /nfs/dbraw/zinc/03/81/60/263038160.db2.gz WSFZBPSZNJRSEK-CYBMUJFWSA-N 1 2 276.384 1.756 20 30 CDEDLO CCOCC[C@H](O)C[N@H+](CCC#N)Cc1ccco1 ZINC000277578455 263042067 /nfs/dbraw/zinc/04/20/67/263042067.db2.gz BZNBXMPJQKFGKL-ZDUSSCGKSA-N 1 2 266.341 1.783 20 30 CDEDLO CCOCC[C@H](O)C[N@@H+](CCC#N)Cc1ccco1 ZINC000277578455 263042068 /nfs/dbraw/zinc/04/20/68/263042068.db2.gz BZNBXMPJQKFGKL-ZDUSSCGKSA-N 1 2 266.341 1.783 20 30 CDEDLO COc1nc(C)cc(C)c1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000288581734 263104925 /nfs/dbraw/zinc/10/49/25/263104925.db2.gz LCAAPXCIGCIQPQ-GFCCVEGCSA-N 1 2 279.340 1.675 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc2c(c1)NC(=O)CO2 ZINC000295333824 263176138 /nfs/dbraw/zinc/17/61/38/263176138.db2.gz MECLDVAWDVNOAI-SNVBAGLBSA-N 1 2 259.309 1.751 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc2c(c1)NC(=O)CO2 ZINC000295333824 263176139 /nfs/dbraw/zinc/17/61/39/263176139.db2.gz MECLDVAWDVNOAI-SNVBAGLBSA-N 1 2 259.309 1.751 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000341701916 263346756 /nfs/dbraw/zinc/34/67/56/263346756.db2.gz BFZAPQZTLIBKAU-YPMHNXCESA-N 1 2 277.368 1.969 20 30 CDEDLO CN(CC(C)(C)O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000330808418 264044340 /nfs/dbraw/zinc/04/43/40/264044340.db2.gz KVMLXDXDXGQCRL-UHFFFAOYSA-N 1 2 276.340 1.451 20 30 CDEDLO N#CCCCC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000330884913 264062913 /nfs/dbraw/zinc/06/29/13/264062913.db2.gz FHQLACICCUNNRV-AWEZNQCLSA-N 1 2 297.424 1.004 20 30 CDEDLO Cc1cc(C)c(NC(=O)NCCN2CCOCC2)c(C)[nH+]1 ZINC000331233630 264173797 /nfs/dbraw/zinc/17/37/97/264173797.db2.gz KENDTPVFDJATMC-UHFFFAOYSA-N 1 2 292.383 1.665 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331307881 264202305 /nfs/dbraw/zinc/20/23/05/264202305.db2.gz FQDWJMPINNINKG-QWHCGFSZSA-N 1 2 281.400 1.494 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331307881 264202308 /nfs/dbraw/zinc/20/23/08/264202308.db2.gz FQDWJMPINNINKG-QWHCGFSZSA-N 1 2 281.400 1.494 20 30 CDEDLO Cc1noc(C)c1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000331347151 264205803 /nfs/dbraw/zinc/20/58/03/264205803.db2.gz MJALGLADVZSJRL-UHFFFAOYSA-N 1 2 281.356 1.707 20 30 CDEDLO C#CC[NH+]1CCN(Cc2csc([C@@H](C)OCC)n2)CC1 ZINC000075887690 264331863 /nfs/dbraw/zinc/33/18/63/264331863.db2.gz CVTLVCMAFXIFGI-CYBMUJFWSA-N 1 2 293.436 1.991 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000131192568 264367601 /nfs/dbraw/zinc/36/76/01/264367601.db2.gz TZXUNNSZIZFADV-NWDGAFQWSA-N 1 2 260.341 1.454 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCCO[C@H](C)C2)nn1 ZINC000653539008 424255787 /nfs/dbraw/zinc/25/57/87/424255787.db2.gz PPFGNBOCBMGNAP-GFCCVEGCSA-N 1 2 250.346 1.465 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCCO[C@H](C)C2)nn1 ZINC000653539008 424255794 /nfs/dbraw/zinc/25/57/94/424255794.db2.gz PPFGNBOCBMGNAP-GFCCVEGCSA-N 1 2 250.346 1.465 20 30 CDEDLO C=CCCn1cc(C[N@H+](C)CCc2nccs2)nn1 ZINC000653589631 424308634 /nfs/dbraw/zinc/30/86/34/424308634.db2.gz UFSNBBBXKMERLC-UHFFFAOYSA-N 1 2 277.397 1.985 20 30 CDEDLO C=CCCn1cc(C[N@@H+](C)CCc2nccs2)nn1 ZINC000653589631 424308640 /nfs/dbraw/zinc/30/86/40/424308640.db2.gz UFSNBBBXKMERLC-UHFFFAOYSA-N 1 2 277.397 1.985 20 30 CDEDLO CCOCCCNC(=O)[C@H](C)[N@H+](CC)C[C@H](C)C#N ZINC000356481505 266123376 /nfs/dbraw/zinc/12/33/76/266123376.db2.gz TWRQHLCNBGCBOJ-OLZOCXBDSA-N 1 2 269.389 1.399 20 30 CDEDLO CCOCCCNC(=O)[C@H](C)[N@@H+](CC)C[C@H](C)C#N ZINC000356481505 266123378 /nfs/dbraw/zinc/12/33/78/266123378.db2.gz TWRQHLCNBGCBOJ-OLZOCXBDSA-N 1 2 269.389 1.399 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[S@](=O)CC[C@H]1C ZINC000370069160 267287958 /nfs/dbraw/zinc/28/79/58/267287958.db2.gz FCGBSQMPSYNSQB-BFUOFWGJSA-N 1 2 286.441 1.254 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[S@](=O)CC[C@H]1C ZINC000370069160 267287962 /nfs/dbraw/zinc/28/79/62/267287962.db2.gz FCGBSQMPSYNSQB-BFUOFWGJSA-N 1 2 286.441 1.254 20 30 CDEDLO CC#CC[NH+]1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000119551523 267345173 /nfs/dbraw/zinc/34/51/73/267345173.db2.gz ZZSNRACUHBTEPX-JKSUJKDBSA-N 1 2 291.439 1.322 20 30 CDEDLO COCc1ccc(NC(=O)Cc2c[nH+]cn2C)cc1C#N ZINC000529816098 267498772 /nfs/dbraw/zinc/49/87/72/267498772.db2.gz HQILDEIUXBYXRE-UHFFFAOYSA-N 1 2 284.319 1.619 20 30 CDEDLO C#CCOCCC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000377216162 268056568 /nfs/dbraw/zinc/05/65/68/268056568.db2.gz SCDZDMWVFLIKLF-AWEZNQCLSA-N 1 2 289.379 1.997 20 30 CDEDLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000712278573 687135944 /nfs/dbraw/zinc/13/59/44/687135944.db2.gz ZQULYPOEHRLCOB-JTQLQIEISA-N 1 2 299.783 1.194 20 30 CDEDLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000712278573 687135947 /nfs/dbraw/zinc/13/59/47/687135947.db2.gz ZQULYPOEHRLCOB-JTQLQIEISA-N 1 2 299.783 1.194 20 30 CDEDLO CC(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425211501 277058754 /nfs/dbraw/zinc/05/87/54/277058754.db2.gz XCNBYHNQBZSXIE-ZDUSSCGKSA-N 1 2 258.325 1.367 20 30 CDEDLO CC(C)[NH+]1CC(NC(=O)[C@]2(C#N)CC23CCCC3)C1 ZINC000333964329 279478171 /nfs/dbraw/zinc/47/81/71/279478171.db2.gz OXDXJTJYIRUPOR-OAHLLOKOSA-N 1 2 261.369 1.669 20 30 CDEDLO CC1(C)C[N@H+](CC(=O)NC(=O)NC2CC2)[C@@H]1[C@H]1CCCO1 ZINC000329853555 281233242 /nfs/dbraw/zinc/23/32/42/281233242.db2.gz SCQJHYFIYARKSE-DGCLKSJQSA-N 1 2 295.383 1.909 20 30 CDEDLO CC1(C)C[N@@H+](CC(=O)NC(=O)NC2CC2)[C@@H]1[C@H]1CCCO1 ZINC000329853555 281233245 /nfs/dbraw/zinc/23/32/45/281233245.db2.gz SCQJHYFIYARKSE-DGCLKSJQSA-N 1 2 295.383 1.909 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)CNc1ccc(C#N)cc1 ZINC000154994155 289224995 /nfs/dbraw/zinc/22/49/95/289224995.db2.gz VPRWQKAUMHGWIO-UHFFFAOYSA-N 1 2 297.362 1.715 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(C#N)cn1 ZINC000155121080 289228867 /nfs/dbraw/zinc/22/88/67/289228867.db2.gz RINGJVJOWQCAJE-UHFFFAOYSA-N 1 2 269.308 1.312 20 30 CDEDLO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000574462897 295004539 /nfs/dbraw/zinc/00/45/39/295004539.db2.gz NSGYYCFFWSIURO-CQSZACIVSA-N 1 2 293.392 1.352 20 30 CDEDLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000574462897 295004540 /nfs/dbraw/zinc/00/45/40/295004540.db2.gz NSGYYCFFWSIURO-CQSZACIVSA-N 1 2 293.392 1.352 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)C1(C#N)CCCCC1 ZINC000401759756 328055086 /nfs/dbraw/zinc/05/50/86/328055086.db2.gz UHFHCYPVTADUEA-UHFFFAOYSA-N 1 2 260.341 1.553 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1cccc(O)c1 ZINC000571493905 328125265 /nfs/dbraw/zinc/12/52/65/328125265.db2.gz BGRPMHHNYMHDFZ-MRXNPFEDSA-N 1 2 289.379 1.878 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000571493905 328125266 /nfs/dbraw/zinc/12/52/66/328125266.db2.gz BGRPMHHNYMHDFZ-MRXNPFEDSA-N 1 2 289.379 1.878 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1ccnn1CCCOC ZINC000282807368 328243705 /nfs/dbraw/zinc/24/37/05/328243705.db2.gz NVYLAUHLIOFGOA-LBPRGKRZSA-N 1 2 250.346 1.701 20 30 CDEDLO CO[C@@H](C)c1nc(CO[NH+]=C(N)[C@@H]2CCCO2)cs1 ZINC000284430234 328245755 /nfs/dbraw/zinc/24/57/55/328245755.db2.gz OPZWQXIZDXKIAO-WPRPVWTQSA-N 1 2 285.369 1.818 20 30 CDEDLO NC(=[NH+]OCC[C@@H](O)c1ccccc1)[C@@H]1CCCO1 ZINC000285038022 328246935 /nfs/dbraw/zinc/24/69/35/328246935.db2.gz FCFPVEZQBIRLGW-OLZOCXBDSA-N 1 2 264.325 1.578 20 30 CDEDLO COc1cncc(CO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000288759700 328253436 /nfs/dbraw/zinc/25/34/36/328253436.db2.gz YXGGVDOJPACDQG-NSHDSACASA-N 1 2 251.286 1.058 20 30 CDEDLO N#CCCCC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000290972008 328261371 /nfs/dbraw/zinc/26/13/71/328261371.db2.gz OWJQCMPLNSWEIB-UHFFFAOYSA-N 1 2 272.352 1.420 20 30 CDEDLO C=CCNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000049413042 328358567 /nfs/dbraw/zinc/35/85/67/328358567.db2.gz CDZWFFUBEXDIHB-UHFFFAOYSA-N 1 2 265.382 1.761 20 30 CDEDLO Cn1cc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c2ccccc21 ZINC000566306374 327297028 /nfs/dbraw/zinc/29/70/28/327297028.db2.gz NMQKBLKYPDFZKY-QGZVFWFLSA-N 1 2 298.390 1.681 20 30 CDEDLO C[C@@H](Oc1ccccc1F)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000566306478 327297390 /nfs/dbraw/zinc/29/73/90/327297390.db2.gz QWIXQPFONCXBJN-IAQYHMDHSA-N 1 2 293.342 1.553 20 30 CDEDLO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]CCC#N)cc1 ZINC000562860389 327520361 /nfs/dbraw/zinc/52/03/61/327520361.db2.gz LURLLFJXSJBJKD-UHFFFAOYSA-N 1 2 295.408 1.720 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1noc(CCC)n1 ZINC000569900399 327554657 /nfs/dbraw/zinc/55/46/57/327554657.db2.gz BYIUDFWCJGONJJ-MNOVXSKESA-N 1 2 251.330 1.845 20 30 CDEDLO N#CCc1ccnc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000532763740 328808660 /nfs/dbraw/zinc/80/86/60/328808660.db2.gz JBBOMZIJIWXHGE-LBPRGKRZSA-N 1 2 281.319 1.545 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)COc2ccc(C)cc2)CC1 ZINC000357624871 328873430 /nfs/dbraw/zinc/87/34/30/328873430.db2.gz IWXGZEJLQJQQNK-UHFFFAOYSA-N 1 2 286.375 1.541 20 30 CDEDLO CN(CCC#N)C(=O)CC[N@H+](C)CC(=O)OC(C)(C)C ZINC000181555791 329234337 /nfs/dbraw/zinc/23/43/37/329234337.db2.gz MOQCZKGELBLLBG-UHFFFAOYSA-N 1 2 283.372 1.022 20 30 CDEDLO CN(CCC#N)C(=O)CC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000181555791 329234338 /nfs/dbraw/zinc/23/43/38/329234338.db2.gz MOQCZKGELBLLBG-UHFFFAOYSA-N 1 2 283.372 1.022 20 30 CDEDLO CC[NH+](CC)CC(=O)Nc1n[nH]c(-c2ccco2)n1 ZINC000063720765 329399300 /nfs/dbraw/zinc/39/93/00/329399300.db2.gz NDPAHXHUUQQFBI-UHFFFAOYSA-N 1 2 263.301 1.995 20 30 CDEDLO CC[NH+](CC)CC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000063720765 329399302 /nfs/dbraw/zinc/39/93/02/329399302.db2.gz NDPAHXHUUQQFBI-UHFFFAOYSA-N 1 2 263.301 1.995 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000572361026 330001899 /nfs/dbraw/zinc/00/18/99/330001899.db2.gz YWIUTTOPUYDENP-ZFWWWQNUSA-N 1 2 293.411 1.495 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000572361026 330001900 /nfs/dbraw/zinc/00/19/00/330001900.db2.gz YWIUTTOPUYDENP-ZFWWWQNUSA-N 1 2 293.411 1.495 20 30 CDEDLO Cc1cc(NC(=O)CCc2c[nH+]c[nH]2)n(CCC#N)n1 ZINC000527526923 330257417 /nfs/dbraw/zinc/25/74/17/330257417.db2.gz XHOJFOGHSPAMID-UHFFFAOYSA-N 1 2 272.312 1.400 20 30 CDEDLO Cc1cc(NC(=O)CCc2c[nH]c[nH+]2)n(CCC#N)n1 ZINC000527526923 330257418 /nfs/dbraw/zinc/25/74/18/330257418.db2.gz XHOJFOGHSPAMID-UHFFFAOYSA-N 1 2 272.312 1.400 20 30 CDEDLO N#CCC1(O)C[NH+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000424130503 330261673 /nfs/dbraw/zinc/26/16/73/330261673.db2.gz FLPHBMYDJQHMPG-CYBMUJFWSA-N 1 2 280.755 1.204 20 30 CDEDLO C=CCNC(=O)C[NH2+]Cc1c(F)cc(C)cc1F ZINC000424180371 330318857 /nfs/dbraw/zinc/31/88/57/330318857.db2.gz VJZNGJPKRNMUIE-UHFFFAOYSA-N 1 2 254.280 1.665 20 30 CDEDLO C=CCNC(=O)C[NH+]1CCN(C/C=C(\C)Cl)CC1 ZINC000528339302 330319482 /nfs/dbraw/zinc/31/94/82/330319482.db2.gz OVVSIKZFOQHLDJ-UUILKARUSA-N 1 2 271.792 1.049 20 30 CDEDLO C=CCNC(=O)CN1CC[NH+](C/C=C(\C)Cl)CC1 ZINC000528339302 330319483 /nfs/dbraw/zinc/31/94/83/330319483.db2.gz OVVSIKZFOQHLDJ-UUILKARUSA-N 1 2 271.792 1.049 20 30 CDEDLO C=C(C)CS(=O)(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000435442856 330655774 /nfs/dbraw/zinc/65/57/74/330655774.db2.gz KUDRNYIGHYEQMM-UHFFFAOYSA-N 1 2 293.392 1.840 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000437847655 330709861 /nfs/dbraw/zinc/70/98/61/330709861.db2.gz MSUQEZSKEGLEAY-CYBMUJFWSA-N 1 2 251.330 1.597 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000451181381 331019118 /nfs/dbraw/zinc/01/91/18/331019118.db2.gz FHYQRVHGTMLBPE-NQBHXWOUSA-N 1 2 255.337 1.473 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000451181381 331019119 /nfs/dbraw/zinc/01/91/19/331019119.db2.gz FHYQRVHGTMLBPE-NQBHXWOUSA-N 1 2 255.337 1.473 20 30 CDEDLO C=C(C)COCCNC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000454689594 331151473 /nfs/dbraw/zinc/15/14/73/331151473.db2.gz MODUVDYLARNMDS-GFCCVEGCSA-N 1 2 280.372 1.856 20 30 CDEDLO C=C(C)COCCNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000454701848 331151750 /nfs/dbraw/zinc/15/17/50/331151750.db2.gz XFJDGIGIHVRWTC-VXGBXAGGSA-N 1 2 278.356 1.781 20 30 CDEDLO CC#CCN(C)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000458586195 331253636 /nfs/dbraw/zinc/25/36/36/331253636.db2.gz VTENNRXVPHTTMZ-ZDUSSCGKSA-N 1 2 274.368 1.734 20 30 CDEDLO C=C(C)CCNC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000459010548 331266288 /nfs/dbraw/zinc/26/62/88/331266288.db2.gz WMYANKGRZHZAPE-OAHLLOKOSA-N 1 2 294.443 1.374 20 30 CDEDLO C#CC[N@@H+](CC#CC)C[C@@H](O)COc1cccc(C(C)=O)c1 ZINC000490676396 332102454 /nfs/dbraw/zinc/10/24/54/332102454.db2.gz HPLHXUNYBHHDNQ-QGZVFWFLSA-N 1 2 299.370 1.587 20 30 CDEDLO C#CC[N@H+](CC#CC)C[C@@H](O)COc1cccc(C(C)=O)c1 ZINC000490676396 332102456 /nfs/dbraw/zinc/10/24/56/332102456.db2.gz HPLHXUNYBHHDNQ-QGZVFWFLSA-N 1 2 299.370 1.587 20 30 CDEDLO C#CCN(CC#CC)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000490680199 332103468 /nfs/dbraw/zinc/10/34/68/332103468.db2.gz YRKIWCQMJHZDJB-UHFFFAOYSA-N 1 2 298.390 1.430 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc3cc[nH]c32)CC1 ZINC000491022702 332140087 /nfs/dbraw/zinc/14/00/87/332140087.db2.gz SOPMRVMQRKCMCZ-UHFFFAOYSA-N 1 2 296.374 1.357 20 30 CDEDLO C#CCNC(=O)CC[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000491068431 332145160 /nfs/dbraw/zinc/14/51/60/332145160.db2.gz PGEIVZROGPGTAC-SNVBAGLBSA-N 1 2 278.356 1.157 20 30 CDEDLO C#C[C@@H](NC(=O)NCC1([NH+]2CCOCC2)CC1)C(C)(C)C ZINC000491307418 332186975 /nfs/dbraw/zinc/18/69/75/332186975.db2.gz QHIKOYDOMZWHHI-CYBMUJFWSA-N 1 2 293.411 1.198 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000491326621 332190622 /nfs/dbraw/zinc/19/06/22/332190622.db2.gz OQNJMNBBKZQDNE-JTQLQIEISA-N 1 2 285.303 1.919 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000491326621 332190624 /nfs/dbraw/zinc/19/06/24/332190624.db2.gz OQNJMNBBKZQDNE-JTQLQIEISA-N 1 2 285.303 1.919 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000491338880 332192806 /nfs/dbraw/zinc/19/28/06/332192806.db2.gz MAMWBKNXVUHYDN-AWEZNQCLSA-N 1 2 268.316 1.774 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000491338880 332192807 /nfs/dbraw/zinc/19/28/07/332192807.db2.gz MAMWBKNXVUHYDN-AWEZNQCLSA-N 1 2 268.316 1.774 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cccc(C(=O)OC)c1C#N ZINC000491427632 332209584 /nfs/dbraw/zinc/20/95/84/332209584.db2.gz LDJSHSKGWHXZEY-LLVKDONJSA-N 1 2 256.305 1.798 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cc1cccc(C(=O)OC)c1C#N ZINC000491427632 332209585 /nfs/dbraw/zinc/20/95/85/332209585.db2.gz LDJSHSKGWHXZEY-LLVKDONJSA-N 1 2 256.305 1.798 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000491427908 332209743 /nfs/dbraw/zinc/20/97/43/332209743.db2.gz MMFGAWNRYVDDMR-SECBINFHSA-N 1 2 296.168 1.736 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000491427908 332209744 /nfs/dbraw/zinc/20/97/44/332209744.db2.gz MMFGAWNRYVDDMR-SECBINFHSA-N 1 2 296.168 1.736 20 30 CDEDLO C#CC[N@@H+](CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491516655 332227938 /nfs/dbraw/zinc/22/79/38/332227938.db2.gz VBYKHWJNZNCJQE-OAHLLOKOSA-N 1 2 299.436 1.316 20 30 CDEDLO C#CC[N@H+](CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491516655 332227940 /nfs/dbraw/zinc/22/79/40/332227940.db2.gz VBYKHWJNZNCJQE-OAHLLOKOSA-N 1 2 299.436 1.316 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCCO[C@H]1CCCC[C@H]1C)C1CC1 ZINC000491536949 332232318 /nfs/dbraw/zinc/23/23/18/332232318.db2.gz NEORLKOCKURFIT-ZBFHGGJFSA-N 1 2 292.423 1.796 20 30 CDEDLO C#CC[N@H+](CC(=O)NCCO[C@H]1CCCC[C@H]1C)C1CC1 ZINC000491536949 332232319 /nfs/dbraw/zinc/23/23/19/332232319.db2.gz NEORLKOCKURFIT-ZBFHGGJFSA-N 1 2 292.423 1.796 20 30 CDEDLO C#C[C@H](CC)NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000491636550 332257446 /nfs/dbraw/zinc/25/74/46/332257446.db2.gz SYQROSARWVUKBU-VXGBXAGGSA-N 1 2 260.341 1.331 20 30 CDEDLO C#C[C@H](CC)NC(=O)[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000491670598 332277752 /nfs/dbraw/zinc/27/77/52/332277752.db2.gz DMBFICFHQPDCOZ-CABCVRRESA-N 1 2 280.412 1.651 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)N[C@@H](Cc1ccccc1)C(C)=O ZINC000491673769 332279880 /nfs/dbraw/zinc/27/98/80/332279880.db2.gz JIRFYMFPEFDGSW-BBRMVZONSA-N 1 2 286.375 1.256 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N[C@@H](Cc1ccccc1)C(C)=O ZINC000491673769 332279881 /nfs/dbraw/zinc/27/98/81/332279881.db2.gz JIRFYMFPEFDGSW-BBRMVZONSA-N 1 2 286.375 1.256 20 30 CDEDLO C#C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC000491696000 332291474 /nfs/dbraw/zinc/29/14/74/332291474.db2.gz IJWHFRKENRXYRZ-WCQYABFASA-N 1 2 259.353 1.610 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1CC[C@H](Cc2ccccc2)C1=O ZINC000491772423 332338679 /nfs/dbraw/zinc/33/86/79/332338679.db2.gz QPOREMLVFZSACT-GOEBONIOSA-N 1 2 270.376 1.989 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1CC[C@H](Cc2ccccc2)C1=O ZINC000491772423 332338680 /nfs/dbraw/zinc/33/86/80/332338680.db2.gz QPOREMLVFZSACT-GOEBONIOSA-N 1 2 270.376 1.989 20 30 CDEDLO CCCc1occc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000516774092 333081959 /nfs/dbraw/zinc/08/19/59/333081959.db2.gz GPKKBWLSNLTGOU-CQSZACIVSA-N 1 2 263.341 1.806 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192638572 333237047 /nfs/dbraw/zinc/23/70/47/333237047.db2.gz VUAMTLMXFJKMHM-NSHDSACASA-N 1 2 277.324 1.717 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192638572 333237049 /nfs/dbraw/zinc/23/70/49/333237049.db2.gz VUAMTLMXFJKMHM-NSHDSACASA-N 1 2 277.324 1.717 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1c[nH]c2ccccc12 ZINC000566044755 334618259 /nfs/dbraw/zinc/61/82/59/334618259.db2.gz XKFKAJMLCIQHGW-INIZCTEOSA-N 1 2 284.363 1.670 20 30 CDEDLO CCc1ccc(OCC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000576565284 335219117 /nfs/dbraw/zinc/21/91/17/335219117.db2.gz CIKQUXDZJTUGTM-INIZCTEOSA-N 1 2 289.379 1.588 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CCCC(F)(F)C1 ZINC000580837779 335973575 /nfs/dbraw/zinc/97/35/75/335973575.db2.gz ZOOOCRDIPRQICF-CMPLNLGQSA-N 1 2 273.327 1.772 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1cc(OC)ns1 ZINC001038263747 687265044 /nfs/dbraw/zinc/26/50/44/687265044.db2.gz WHFDHZJXAIBJTQ-SNVBAGLBSA-N 1 2 281.381 1.532 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000040490871 1161473810 /nfs/dbraw/zinc/47/38/10/1161473810.db2.gz VOBNTUPRSYDUGJ-UHFFFAOYSA-N 1 2 259.353 1.142 20 30 CDEDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000347461663 533735581 /nfs/dbraw/zinc/73/55/81/533735581.db2.gz YDZDNCXBFMGOFW-HNNXBMFYSA-N 1 2 288.347 1.517 20 30 CDEDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000347461663 533735587 /nfs/dbraw/zinc/73/55/87/533735587.db2.gz YDZDNCXBFMGOFW-HNNXBMFYSA-N 1 2 288.347 1.517 20 30 CDEDLO COC(=O)c1cc(C[N@H+](CCC#N)CC2CC2)cn1C ZINC000347811017 533782937 /nfs/dbraw/zinc/78/29/37/533782937.db2.gz JZRNTDJKCSMNLB-UHFFFAOYSA-N 1 2 275.352 1.937 20 30 CDEDLO COC(=O)c1cc(C[N@@H+](CCC#N)CC2CC2)cn1C ZINC000347811017 533782943 /nfs/dbraw/zinc/78/29/43/533782943.db2.gz JZRNTDJKCSMNLB-UHFFFAOYSA-N 1 2 275.352 1.937 20 30 CDEDLO C[C@](O)(CC(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000330325147 534154995 /nfs/dbraw/zinc/15/49/95/534154995.db2.gz UNCBKEQRBPZYBN-FZMZJTMJSA-N 1 2 263.341 1.706 20 30 CDEDLO O=C(Nc1nncn1C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329122257 534335154 /nfs/dbraw/zinc/33/51/54/534335154.db2.gz QYKLWGKLXRSGAU-SECBINFHSA-N 1 2 272.312 1.660 20 30 CDEDLO CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000151376030 523210478 /nfs/dbraw/zinc/21/04/78/523210478.db2.gz RLVYYHCADBWKFM-HNNXBMFYSA-N 1 2 294.358 1.976 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338587125 523528611 /nfs/dbraw/zinc/52/86/11/523528611.db2.gz IETJJGPTYMWCRW-AWEZNQCLSA-N 1 2 264.300 1.473 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338587125 523528624 /nfs/dbraw/zinc/52/86/24/523528624.db2.gz IETJJGPTYMWCRW-AWEZNQCLSA-N 1 2 264.300 1.473 20 30 CDEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C1(O)CCCCC1 ZINC000330286892 534763992 /nfs/dbraw/zinc/76/39/92/534763992.db2.gz AWPGPSIYIVXSFD-LLVKDONJSA-N 1 2 263.341 1.850 20 30 CDEDLO COc1cccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000115595178 526034366 /nfs/dbraw/zinc/03/43/66/526034366.db2.gz XNOPUDNHMWFTMG-INIZCTEOSA-N 1 2 295.342 1.883 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccccc1 ZINC000060633696 526456616 /nfs/dbraw/zinc/45/66/16/526456616.db2.gz GNGOHXDAMYWIKF-UHFFFAOYSA-N 1 2 287.363 1.375 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000332685924 526626304 /nfs/dbraw/zinc/62/63/04/526626304.db2.gz JCXUQVOVKOKVGG-LLVKDONJSA-N 1 2 260.337 1.441 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCc2ccc(O)cc2C1 ZINC000332685924 526626311 /nfs/dbraw/zinc/62/63/11/526626311.db2.gz JCXUQVOVKOKVGG-LLVKDONJSA-N 1 2 260.337 1.441 20 30 CDEDLO C=CCOCC(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000347495185 526710388 /nfs/dbraw/zinc/71/03/88/526710388.db2.gz KOGKAMLVNCXHAQ-UHFFFAOYSA-N 1 2 259.309 1.462 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(SC)o2)CC1 ZINC000112281468 526726168 /nfs/dbraw/zinc/72/61/68/526726168.db2.gz GZTIGMQGSBFJQM-UHFFFAOYSA-N 1 2 278.377 1.783 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCn2cc[nH+]c2C1 ZINC000333386075 526846363 /nfs/dbraw/zinc/84/63/63/526846363.db2.gz BRBNGKJKMRLNCL-GXTWGEPZSA-N 1 2 290.367 1.390 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000347595552 527028131 /nfs/dbraw/zinc/02/81/31/527028131.db2.gz AJQJWEVNULQFIU-HNNXBMFYSA-N 1 2 280.412 1.982 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000347595552 527028137 /nfs/dbraw/zinc/02/81/37/527028137.db2.gz AJQJWEVNULQFIU-HNNXBMFYSA-N 1 2 280.412 1.982 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000356060152 527540930 /nfs/dbraw/zinc/54/09/30/527540930.db2.gz OUONBKJDWXIYPD-UKRRQHHQSA-N 1 2 276.336 1.388 20 30 CDEDLO CCCN(C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000330288625 527718541 /nfs/dbraw/zinc/71/85/41/527718541.db2.gz DFBYJZYYZURKPM-LLVKDONJSA-N 1 2 262.357 1.986 20 30 CDEDLO CCCN(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000330288625 527718551 /nfs/dbraw/zinc/71/85/51/527718551.db2.gz DFBYJZYYZURKPM-LLVKDONJSA-N 1 2 262.357 1.986 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000331431232 527931332 /nfs/dbraw/zinc/93/13/32/527931332.db2.gz GLODJHFOOJGXCA-XPKDYRNWSA-N 1 2 293.411 1.540 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000331431232 527931337 /nfs/dbraw/zinc/93/13/37/527931337.db2.gz GLODJHFOOJGXCA-XPKDYRNWSA-N 1 2 293.411 1.540 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2OC)CCO1 ZINC000179009273 536784865 /nfs/dbraw/zinc/78/48/65/536784865.db2.gz BSQVYXDZEJKGGH-AWEZNQCLSA-N 1 2 276.336 1.414 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2OC)CCO1 ZINC000179009273 536784871 /nfs/dbraw/zinc/78/48/71/536784871.db2.gz BSQVYXDZEJKGGH-AWEZNQCLSA-N 1 2 276.336 1.414 20 30 CDEDLO CCc1ncc(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)cn1 ZINC000328601851 538238040 /nfs/dbraw/zinc/23/80/40/538238040.db2.gz GFOIFPXABJUTAV-LLVKDONJSA-N 1 2 293.371 1.086 20 30 CDEDLO C=C[C@](C)(O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000668781960 538810642 /nfs/dbraw/zinc/81/06/42/538810642.db2.gz KFYXOHAPSKOWOC-CJNGLKHVSA-N 1 2 289.379 1.224 20 30 CDEDLO COc1ccc(O)c(/C=N/CC[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000750950595 574624086 /nfs/dbraw/zinc/62/40/86/574624086.db2.gz XLHZYWAYDIMANA-SEJMYLSOSA-N 1 2 278.352 1.540 20 30 CDEDLO COc1ccc(O)c(/C=N/CC[N@H+]2CCO[C@@H](C)C2)c1 ZINC000750950595 574624088 /nfs/dbraw/zinc/62/40/88/574624088.db2.gz XLHZYWAYDIMANA-SEJMYLSOSA-N 1 2 278.352 1.540 20 30 CDEDLO CC[C@@H]1CC(=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)CCO1 ZINC000753937210 574982483 /nfs/dbraw/zinc/98/24/83/574982483.db2.gz WWWRVDFMKCRTMH-JHJVBQTASA-N 1 2 264.373 1.791 20 30 CDEDLO CC[C@@H]1CC(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)CCO1 ZINC000753937210 574982486 /nfs/dbraw/zinc/98/24/86/574982486.db2.gz WWWRVDFMKCRTMH-JHJVBQTASA-N 1 2 264.373 1.791 20 30 CDEDLO C#CCOc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2CC#C)cc1 ZINC000731052709 575031419 /nfs/dbraw/zinc/03/14/19/575031419.db2.gz ISKPPKIGJXDXLQ-INIZCTEOSA-N 1 2 282.343 1.735 20 30 CDEDLO C#CCOc1ccc(NC(=O)[C@@H]2CCC[N@H+]2CC#C)cc1 ZINC000731052709 575031421 /nfs/dbraw/zinc/03/14/21/575031421.db2.gz ISKPPKIGJXDXLQ-INIZCTEOSA-N 1 2 282.343 1.735 20 30 CDEDLO CCOc1cccc(/C=[NH+]\Cc2nnnn2C2CC2)c1O ZINC000743044800 576625525 /nfs/dbraw/zinc/62/55/25/576625525.db2.gz RINZBIYYYBPTND-NVNXTCNLSA-N 1 2 287.323 1.731 20 30 CDEDLO C[C@@H]1CN(c2ccccc2C=[NH+]N2CCCC2=O)CCO1 ZINC000769589622 575362506 /nfs/dbraw/zinc/36/25/06/575362506.db2.gz QWDTUZLNTOLFAL-CYBMUJFWSA-N 1 2 287.363 1.868 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCc2nc(C)ncc21 ZINC000734822042 575385850 /nfs/dbraw/zinc/38/58/50/575385850.db2.gz QJNJPHSQQXMHDR-HOTGVXAUSA-N 1 2 298.390 1.376 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCc2nc(C)ncc21 ZINC000734822042 575385851 /nfs/dbraw/zinc/38/58/51/575385851.db2.gz QJNJPHSQQXMHDR-HOTGVXAUSA-N 1 2 298.390 1.376 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)Cc2ccccc2)CC1 ZINC000772123680 575663749 /nfs/dbraw/zinc/66/37/49/575663749.db2.gz VLUQEGKTFQVQBD-UHFFFAOYSA-N 1 2 299.370 1.687 20 30 CDEDLO C#C[C@@H](NC(=O)NCc1cn2ccccc2[nH+]1)[C@H]1CCCO1 ZINC000773547569 575823344 /nfs/dbraw/zinc/82/33/44/575823344.db2.gz IWVJREKIQPYPBQ-ZIAGYGMSSA-N 1 2 298.346 1.314 20 30 CDEDLO Cc1sc2ncn(N=Cc3ccc[nH+]c3N)c(=O)c2c1C ZINC000764665672 575932476 /nfs/dbraw/zinc/93/24/76/575932476.db2.gz KZOKAXHYXACGJS-UHFFFAOYSA-N 1 2 299.359 1.934 20 30 CDEDLO C=CCN(C(=O)NCC1([NH+]2CCOCC2)CC1)C(C)C ZINC000765640013 576047555 /nfs/dbraw/zinc/04/75/55/576047555.db2.gz AVRLBRIBQWVLLJ-UHFFFAOYSA-N 1 2 281.400 1.457 20 30 CDEDLO CC(CCC1CC1)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000768770093 576306851 /nfs/dbraw/zinc/30/68/51/576306851.db2.gz YZEYMHASVPTUQN-UHFFFAOYSA-N 1 2 298.456 1.349 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cn1 ZINC000759473551 576393127 /nfs/dbraw/zinc/39/31/27/576393127.db2.gz PYZBSOHUEKLEGD-CJNGLKHVSA-N 1 2 294.358 1.983 20 30 CDEDLO COc1cccc(/C=[NH+]/CCc2ccn(C)n2)c1O ZINC000761015481 576535083 /nfs/dbraw/zinc/53/50/83/576535083.db2.gz MXFGYTNWKPBFQX-XNTDXEJSSA-N 1 2 259.309 1.796 20 30 CDEDLO N#CCOC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741351569 576553904 /nfs/dbraw/zinc/55/39/04/576553904.db2.gz FPEKBNDYSJQVMC-CQSZACIVSA-N 1 2 274.320 1.344 20 30 CDEDLO N#CCOC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741351569 576553906 /nfs/dbraw/zinc/55/39/06/576553906.db2.gz FPEKBNDYSJQVMC-CQSZACIVSA-N 1 2 274.320 1.344 20 30 CDEDLO OC1CCC(N=Nc2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000761857705 576598860 /nfs/dbraw/zinc/59/88/60/576598860.db2.gz MPDZIKKEMCAQMX-UHFFFAOYSA-N 1 2 272.312 1.365 20 30 CDEDLO C#CCCc1noc(-c2ccc(-n3cc[nH+]c3)nn2)n1 ZINC000762006927 576612146 /nfs/dbraw/zinc/61/21/46/576612146.db2.gz MSYPLIBGZQEBKL-UHFFFAOYSA-N 1 2 266.264 1.278 20 30 CDEDLO N#Cc1ccc(F)c(CNC(=O)CCCn2cc[nH+]c2)c1 ZINC000742735122 576614685 /nfs/dbraw/zinc/61/46/85/576614685.db2.gz LOUFNTMFVYSXCW-UHFFFAOYSA-N 1 2 286.310 1.990 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745082740 576713943 /nfs/dbraw/zinc/71/39/43/576713943.db2.gz QVTRBNIBLOIKIC-KBPBESRZSA-N 1 2 296.411 1.827 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745082740 576713947 /nfs/dbraw/zinc/71/39/47/576713947.db2.gz QVTRBNIBLOIKIC-KBPBESRZSA-N 1 2 296.411 1.827 20 30 CDEDLO C#CC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000754015999 576873687 /nfs/dbraw/zinc/87/36/87/576873687.db2.gz PXYDKQDRVZYYRR-GFCCVEGCSA-N 1 2 258.321 1.652 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCCC(C)(C)O)ccc1F ZINC000754277674 576889774 /nfs/dbraw/zinc/88/97/74/576889774.db2.gz NNGMYSTXCUNZCR-UHFFFAOYSA-N 1 2 254.305 1.932 20 30 CDEDLO CC(C)c1[nH+]c(C=Nn2cnnc2)c2ccccn21 ZINC000755464668 576946001 /nfs/dbraw/zinc/94/60/01/576946001.db2.gz YIMGJCMVTGDYIP-UHFFFAOYSA-N 1 2 254.297 1.931 20 30 CDEDLO CN(CC[N@H+](C)Cn1cccc(C#N)c1=O)c1ccccc1 ZINC000758223999 577085330 /nfs/dbraw/zinc/08/53/30/577085330.db2.gz INTQKBZEALORJA-UHFFFAOYSA-N 1 2 296.374 1.746 20 30 CDEDLO CN(CC[N@@H+](C)Cn1cccc(C#N)c1=O)c1ccccc1 ZINC000758223999 577085331 /nfs/dbraw/zinc/08/53/31/577085331.db2.gz INTQKBZEALORJA-UHFFFAOYSA-N 1 2 296.374 1.746 20 30 CDEDLO C[NH+](C)C1CC[NH+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000830591789 604959911 /nfs/dbraw/zinc/95/99/11/604959911.db2.gz LULWOWDLDCXFCP-OAHLLOKOSA-N 1 2 287.363 1.710 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnn(C)c2Cl)C1 ZINC000950631288 612992886 /nfs/dbraw/zinc/99/28/86/612992886.db2.gz JLZJVNPIMRJLMV-UHFFFAOYSA-N 1 2 294.786 1.243 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2nc(CC)oc2C)C1 ZINC000952449407 612993415 /nfs/dbraw/zinc/99/34/15/612993415.db2.gz WUNLQEHYLKGKQJ-UHFFFAOYSA-N 1 2 289.379 1.715 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](F)CC)CC2)C1 ZINC000949441062 613210552 /nfs/dbraw/zinc/21/05/52/613210552.db2.gz MQWSUPPUAHJQII-CYBMUJFWSA-N 1 2 282.359 1.061 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](F)CC)CC2)C1 ZINC000949441062 613210553 /nfs/dbraw/zinc/21/05/53/613210553.db2.gz MQWSUPPUAHJQII-CYBMUJFWSA-N 1 2 282.359 1.061 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(C(C)C)CC3)C2)C1 ZINC000972542373 613211866 /nfs/dbraw/zinc/21/18/66/613211866.db2.gz KQZQSGBCSGIZAO-MRXNPFEDSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(C(C)C)CC3)C2)C1 ZINC000972542373 613211867 /nfs/dbraw/zinc/21/18/67/613211867.db2.gz KQZQSGBCSGIZAO-MRXNPFEDSA-N 1 2 290.407 1.359 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC000949631759 613241048 /nfs/dbraw/zinc/24/10/48/613241048.db2.gz RJXJIHKEFSHVJG-UHFFFAOYSA-N 1 2 290.411 1.630 20 30 CDEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc[nH]1 ZINC000948889704 613280010 /nfs/dbraw/zinc/28/00/10/613280010.db2.gz DQGTVAUXRSOOCC-QGZVFWFLSA-N 1 2 293.370 1.977 20 30 CDEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc[nH]1 ZINC000948889704 613280012 /nfs/dbraw/zinc/28/00/12/613280012.db2.gz DQGTVAUXRSOOCC-QGZVFWFLSA-N 1 2 293.370 1.977 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC000950539917 613295946 /nfs/dbraw/zinc/29/59/46/613295946.db2.gz AXNBKJLVJUQHJK-HIFRSBDPSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2coc(OC)n2)CC1 ZINC000949504816 613321700 /nfs/dbraw/zinc/32/17/00/613321700.db2.gz YOWRLTVDQDEWTG-UHFFFAOYSA-N 1 2 265.313 1.017 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnc(C)cn2)C1 ZINC000969242311 613371991 /nfs/dbraw/zinc/37/19/91/613371991.db2.gz COAKWPLZHCIOSB-LLVKDONJSA-N 1 2 294.786 1.588 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cncs2)C1 ZINC000969359361 613372699 /nfs/dbraw/zinc/37/26/99/613372699.db2.gz QRWMXHIIEQAPLY-VIFPVBQESA-N 1 2 285.800 1.946 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C2=CCOCC2)C1 ZINC000965936487 613375371 /nfs/dbraw/zinc/37/53/71/613375371.db2.gz QTEGKZLILCLRJW-RISCZKNCSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2=CCOCC2)C1 ZINC000965936487 613375372 /nfs/dbraw/zinc/37/53/72/613375372.db2.gz QTEGKZLILCLRJW-RISCZKNCSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccncn2)C1 ZINC000968432145 613377997 /nfs/dbraw/zinc/37/79/97/613377997.db2.gz WKNHWBQJYMIKHX-GXFFZTMASA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccncn2)C1 ZINC000968432145 613377998 /nfs/dbraw/zinc/37/79/98/613377998.db2.gz WKNHWBQJYMIKHX-GXFFZTMASA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cnn(C)c2)C1 ZINC000965002223 613378109 /nfs/dbraw/zinc/37/81/09/613378109.db2.gz STEGPYYGHPVZAC-GXFFZTMASA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cnn(C)c2)C1 ZINC000965002223 613378110 /nfs/dbraw/zinc/37/81/10/613378110.db2.gz STEGPYYGHPVZAC-GXFFZTMASA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccncn2)C(C)(C)C1 ZINC000977337556 613379950 /nfs/dbraw/zinc/37/99/50/613379950.db2.gz KMVHIVFSCQZIGS-GFCCVEGCSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccncn2)C(C)(C)C1 ZINC000977337556 613379951 /nfs/dbraw/zinc/37/99/51/613379951.db2.gz KMVHIVFSCQZIGS-GFCCVEGCSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2)C(C)(C)C1 ZINC000972800083 613380042 /nfs/dbraw/zinc/38/00/42/613380042.db2.gz RYCFTUNFGNMNSB-GFCCVEGCSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2)C(C)(C)C1 ZINC000972800083 613380043 /nfs/dbraw/zinc/38/00/43/613380043.db2.gz RYCFTUNFGNMNSB-GFCCVEGCSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C1CC(C)(C(=O)N2CCC[N@H+](CCF)CC2)C1 ZINC000981909264 613393343 /nfs/dbraw/zinc/39/33/43/613393343.db2.gz IOUINMXSOAJPBO-UHFFFAOYSA-N 1 2 254.349 1.847 20 30 CDEDLO C=C1CC(C)(C(=O)N2CCC[N@@H+](CCF)CC2)C1 ZINC000981909264 613393344 /nfs/dbraw/zinc/39/33/44/613393344.db2.gz IOUINMXSOAJPBO-UHFFFAOYSA-N 1 2 254.349 1.847 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCC2(CC1)C[N@H+](CCF)CCO2 ZINC000949433559 613429955 /nfs/dbraw/zinc/42/99/55/613429955.db2.gz ZHGSYYAJJUKBFQ-UHFFFAOYSA-N 1 2 298.402 1.862 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCC2(CC1)C[N@@H+](CCF)CCO2 ZINC000949433559 613429956 /nfs/dbraw/zinc/42/99/56/613429956.db2.gz ZHGSYYAJJUKBFQ-UHFFFAOYSA-N 1 2 298.402 1.862 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H](C)[C@H]2CCCO2)CC1 ZINC000957461826 613563394 /nfs/dbraw/zinc/56/33/94/613563394.db2.gz GVQNHYUQGMZYLC-LSDHHAIUSA-N 1 2 278.396 1.359 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@]23CCOC3)C1 ZINC000957109150 613654958 /nfs/dbraw/zinc/65/49/58/613654958.db2.gz VTUZDYPYIUFQOD-ZFWWWQNUSA-N 1 2 264.369 1.132 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CC[C@H](OC)C2)C1 ZINC000950649760 613655406 /nfs/dbraw/zinc/65/54/06/613655406.db2.gz VOVPEGBNHYWPOO-JSGCOSHPSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2c(C)cc(=O)[nH]c2C)C1 ZINC000957413790 613656134 /nfs/dbraw/zinc/65/61/34/613656134.db2.gz VIODYVJLBXYZQG-UHFFFAOYSA-N 1 2 289.379 1.736 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2c[nH]c(=O)cc2C)C1 ZINC000951730294 613659081 /nfs/dbraw/zinc/65/90/81/613659081.db2.gz OPAAGCNKIGXMJM-UHFFFAOYSA-N 1 2 275.352 1.428 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@H](C)[C@@H]2CCCO2)CC1 ZINC000957461708 613708966 /nfs/dbraw/zinc/70/89/66/613708966.db2.gz CKXBITXXEXKGOM-KBPBESRZSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2c(C)noc2Cl)CC1 ZINC000951734464 613709510 /nfs/dbraw/zinc/70/95/10/613709510.db2.gz MCQXYZHLHKCADJ-UHFFFAOYSA-N 1 2 283.759 1.509 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CC23CCOCC3)CC1 ZINC000957954290 613712945 /nfs/dbraw/zinc/71/29/45/613712945.db2.gz BZMLSBRWHAOKEJ-CYBMUJFWSA-N 1 2 264.369 1.133 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2Cc3ccc(F)cc32)CC1 ZINC000949872408 613713337 /nfs/dbraw/zinc/71/33/37/613713337.db2.gz SKVPZRPUFOKEJJ-HNNXBMFYSA-N 1 2 274.339 1.796 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c(C)cncc2C)CC1 ZINC000949277144 613714122 /nfs/dbraw/zinc/71/41/22/613714122.db2.gz AIAJJTLDFPVFJY-UHFFFAOYSA-N 1 2 259.353 1.642 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(N(C)C)ccn2)CC1 ZINC000957875976 613715271 /nfs/dbraw/zinc/71/52/71/613715271.db2.gz AVQXXIHNOKYHDG-UHFFFAOYSA-N 1 2 274.368 1.091 20 30 CDEDLO C=C(Br)CNc1cc(N(C)C)nc[nH+]1 ZINC000892036613 617431384 /nfs/dbraw/zinc/43/13/84/617431384.db2.gz WYNVXUQZPDZQCZ-UHFFFAOYSA-N 1 2 257.135 1.863 20 30 CDEDLO C=C(Br)CNc1cc(N(C)C)[nH+]cn1 ZINC000892036613 617431389 /nfs/dbraw/zinc/43/13/89/617431389.db2.gz WYNVXUQZPDZQCZ-UHFFFAOYSA-N 1 2 257.135 1.863 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581568 617679539 /nfs/dbraw/zinc/67/95/39/617679539.db2.gz KHXVSRYMCMDTGC-GXFFZTMASA-N 1 2 263.297 1.720 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581568 617679545 /nfs/dbraw/zinc/67/95/45/617679545.db2.gz KHXVSRYMCMDTGC-GXFFZTMASA-N 1 2 263.297 1.720 20 30 CDEDLO C#CC[N@@H+](CC#CC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588074 617683951 /nfs/dbraw/zinc/68/39/51/617683951.db2.gz JZDGNAQAOGNTBD-OAHLLOKOSA-N 1 2 272.304 1.587 20 30 CDEDLO C#CC[N@H+](CC#CC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588074 617683953 /nfs/dbraw/zinc/68/39/53/617683953.db2.gz JZDGNAQAOGNTBD-OAHLLOKOSA-N 1 2 272.304 1.587 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)C[C@@H]1[C@H](C(=O)OC)C1(F)F ZINC000893994894 618236177 /nfs/dbraw/zinc/23/61/77/618236177.db2.gz LWQZLJNUYQEVCC-OPRDCNLKSA-N 1 2 260.284 1.522 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)C[C@@H]1[C@H](C(=O)OC)C1(F)F ZINC000893994894 618236180 /nfs/dbraw/zinc/23/61/80/618236180.db2.gz LWQZLJNUYQEVCC-OPRDCNLKSA-N 1 2 260.284 1.522 20 30 CDEDLO N#Cc1ccccc1NC(=S)N1CCn2c[nH+]cc2C1 ZINC000811712243 618450099 /nfs/dbraw/zinc/45/00/99/618450099.db2.gz MPXXRWLEIOLVCG-UHFFFAOYSA-N 1 2 283.360 1.967 20 30 CDEDLO COc1cc(C[NH2+][C@H](C)c2nnc(C)[nH]2)ccc1C#N ZINC000894774003 619049051 /nfs/dbraw/zinc/04/90/51/619049051.db2.gz MSSYRIGSRGAAJV-SECBINFHSA-N 1 2 271.324 1.844 20 30 CDEDLO Cc1nc([C@H]2CC[N@H+](Cc3cccc(C#N)n3)C2)n[nH]1 ZINC000895013330 619201188 /nfs/dbraw/zinc/20/11/88/619201188.db2.gz SHHCRPKNJDALMC-NSHDSACASA-N 1 2 268.324 1.369 20 30 CDEDLO Cc1nc([C@H]2CC[N@@H+](Cc3cccc(C#N)n3)C2)n[nH]1 ZINC000895013330 619201192 /nfs/dbraw/zinc/20/11/92/619201192.db2.gz SHHCRPKNJDALMC-NSHDSACASA-N 1 2 268.324 1.369 20 30 CDEDLO COC(=O)c1ccc(C[NH2+][C@H]2CCCN(O)C2=O)c(F)c1 ZINC000895196108 619446275 /nfs/dbraw/zinc/44/62/75/619446275.db2.gz IYNYCTLGKLUEOH-LBPRGKRZSA-N 1 2 296.298 1.082 20 30 CDEDLO C=C[C@@H](CC)CC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000909526486 619772275 /nfs/dbraw/zinc/77/22/75/619772275.db2.gz YIULMZQGXHWKJX-OLZOCXBDSA-N 1 2 255.358 1.853 20 30 CDEDLO C#CCSCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000896153886 620011796 /nfs/dbraw/zinc/01/17/96/620011796.db2.gz ZULWBDUILADEHD-LBPRGKRZSA-N 1 2 263.366 1.413 20 30 CDEDLO CC#CC[N@@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000897169590 620402211 /nfs/dbraw/zinc/40/22/11/620402211.db2.gz QPEKZEXNLZNBDP-UHFFFAOYSA-N 1 2 264.281 1.764 20 30 CDEDLO CC#CC[N@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000897169590 620402214 /nfs/dbraw/zinc/40/22/14/620402214.db2.gz QPEKZEXNLZNBDP-UHFFFAOYSA-N 1 2 264.281 1.764 20 30 CDEDLO Cc1[nH]nc(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)c1C#N ZINC000897554609 620988426 /nfs/dbraw/zinc/98/84/26/620988426.db2.gz FQOSCJYYJGPZNF-JTQLQIEISA-N 1 2 261.329 1.401 20 30 CDEDLO Cc1[nH]nc(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)c1C#N ZINC000897554609 620988428 /nfs/dbraw/zinc/98/84/28/620988428.db2.gz FQOSCJYYJGPZNF-JTQLQIEISA-N 1 2 261.329 1.401 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[N@H+]2CCOC[C@H]2CC)cc1 ZINC000899201816 622094796 /nfs/dbraw/zinc/09/47/96/622094796.db2.gz RITMWUPGKUIPTB-MRXNPFEDSA-N 1 2 286.375 1.509 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2CCOC[C@H]2CC)cc1 ZINC000899201816 622094800 /nfs/dbraw/zinc/09/48/00/622094800.db2.gz RITMWUPGKUIPTB-MRXNPFEDSA-N 1 2 286.375 1.509 20 30 CDEDLO C=CCC1(O)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000899590726 622317479 /nfs/dbraw/zinc/31/74/79/622317479.db2.gz GHNUJXPFYLGRCK-CYBMUJFWSA-N 1 2 289.379 1.375 20 30 CDEDLO C[C@@H](C#N)OCC[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000801913386 624772109 /nfs/dbraw/zinc/77/21/09/624772109.db2.gz UUBVQVKPHITNCB-LBPRGKRZSA-N 1 2 293.392 1.435 20 30 CDEDLO C#CC[N@H+](CN1C(=O)[C@@H](C2CC2)[C@@H]1C1CC1)C(C)C ZINC000905747681 626944035 /nfs/dbraw/zinc/94/40/35/626944035.db2.gz ANGDMZOLYRHPIR-GJZGRUSLSA-N 1 2 260.381 1.935 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)[C@@H](C2CC2)[C@@H]1C1CC1)C(C)C ZINC000905747681 626944037 /nfs/dbraw/zinc/94/40/37/626944037.db2.gz ANGDMZOLYRHPIR-GJZGRUSLSA-N 1 2 260.381 1.935 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)c2cccc(C)c2)nn1 ZINC000905828874 627002225 /nfs/dbraw/zinc/00/22/25/627002225.db2.gz UUPKHBRSYLGVQG-MRXNPFEDSA-N 1 2 284.363 1.433 20 30 CDEDLO C=CCC1(C(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)CCC1 ZINC000913462215 630499761 /nfs/dbraw/zinc/49/97/61/630499761.db2.gz FTQWVAAUOWWJIT-CQSZACIVSA-N 1 2 288.395 1.639 20 30 CDEDLO COc1cccc(O)c1/C=N/[C@H](C)C[NH+]1CCOCC1 ZINC000915979450 631878956 /nfs/dbraw/zinc/87/89/56/631878956.db2.gz PWMOCLSMTMFOAG-HMHNVIDESA-N 1 2 278.352 1.540 20 30 CDEDLO CC(=[NH+]NC(=S)NC[C@@H]1CCCO1)c1ccc(N)cc1 ZINC000916544842 632009400 /nfs/dbraw/zinc/00/94/00/632009400.db2.gz UIJMXNGDKYECOH-ZDUSSCGKSA-N 1 2 292.408 1.636 20 30 CDEDLO CC(=[NH+]NC(=S)NC[C@H]1CCCO1)c1ccc(N)cc1 ZINC000916544841 632009539 /nfs/dbraw/zinc/00/95/39/632009539.db2.gz UIJMXNGDKYECOH-CYBMUJFWSA-N 1 2 292.408 1.636 20 30 CDEDLO C#CCN(C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C(C)C ZINC000921629324 633106994 /nfs/dbraw/zinc/10/69/94/633106994.db2.gz LUTIPNRMHNIRNK-AWEZNQCLSA-N 1 2 286.379 1.714 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)cn1C ZINC001017719980 685283827 /nfs/dbraw/zinc/28/38/27/685283827.db2.gz TULYOGUCGALUSP-BETUJISGSA-N 1 2 291.782 1.601 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)cn1C ZINC001017719980 685283835 /nfs/dbraw/zinc/28/38/35/685283835.db2.gz TULYOGUCGALUSP-BETUJISGSA-N 1 2 291.782 1.601 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c(Cl)cnn2CC)C1 ZINC001042788109 685322083 /nfs/dbraw/zinc/32/20/83/685322083.db2.gz SYYWTUJHILVYKM-UHFFFAOYSA-N 1 2 296.802 1.889 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1C1CCC1 ZINC000884117821 685334127 /nfs/dbraw/zinc/33/41/27/685334127.db2.gz NGEAJQDMKUIRFV-QWHCGFSZSA-N 1 2 280.368 1.224 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC2(CC2)C1 ZINC001032621043 686172014 /nfs/dbraw/zinc/17/20/14/686172014.db2.gz PWPILKSOHHZFRS-KBPBESRZSA-N 1 2 258.365 1.485 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2CC[C@H](C(F)(F)F)O2)C1 ZINC001030712500 685346262 /nfs/dbraw/zinc/34/62/62/685346262.db2.gz SAAXZCQXGFLMCI-GHMZBOCLSA-N 1 2 292.301 1.473 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1cccc(F)c1 ZINC001032779160 685428660 /nfs/dbraw/zinc/42/86/60/685428660.db2.gz AJEZDFAYYWEKBC-KBPBESRZSA-N 1 2 288.322 1.123 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1cccc(F)c1 ZINC001032779160 685428672 /nfs/dbraw/zinc/42/86/72/685428672.db2.gz AJEZDFAYYWEKBC-KBPBESRZSA-N 1 2 288.322 1.123 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC001010319496 686572478 /nfs/dbraw/zinc/57/24/78/686572478.db2.gz JDSQUBPXVOYMKB-SNVBAGLBSA-N 1 2 268.748 1.275 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC001010319496 686572491 /nfs/dbraw/zinc/57/24/91/686572491.db2.gz JDSQUBPXVOYMKB-SNVBAGLBSA-N 1 2 268.748 1.275 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCCO1)CO2 ZINC001053779603 685445291 /nfs/dbraw/zinc/44/52/91/685445291.db2.gz VAQPQWFQKOWMLU-KBPBESRZSA-N 1 2 294.395 1.091 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCN(C)c3ccccc32)C1 ZINC001030467144 685456770 /nfs/dbraw/zinc/45/67/70/685456770.db2.gz IAUQJXGIPNPYBK-MRXNPFEDSA-N 1 2 299.418 1.987 20 30 CDEDLO Cc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1C#N ZINC000799624526 685467503 /nfs/dbraw/zinc/46/75/03/685467503.db2.gz CQDHUGIINUUFFU-UHFFFAOYSA-N 1 2 254.293 1.562 20 30 CDEDLO N#CCN[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001019203675 685469961 /nfs/dbraw/zinc/46/99/61/685469961.db2.gz XYHNSEHGRXDBAK-AWEZNQCLSA-N 1 2 295.346 1.200 20 30 CDEDLO CC[N@H+](CC(=O)[O-])C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000263523587 685550071 /nfs/dbraw/zinc/55/00/71/685550071.db2.gz SEWAMFBYUDURGA-UHFFFAOYSA-N 1 2 293.392 1.647 20 30 CDEDLO CC[N@@H+](CC(=O)[O-])C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000263523587 685550075 /nfs/dbraw/zinc/55/00/75/685550075.db2.gz SEWAMFBYUDURGA-UHFFFAOYSA-N 1 2 293.392 1.647 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1coc(CC)n1 ZINC001050882530 685568856 /nfs/dbraw/zinc/56/88/56/685568856.db2.gz QLZFZMZCRWPOEV-GFCCVEGCSA-N 1 2 293.367 1.244 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1coc(CC)n1 ZINC001050882530 685568871 /nfs/dbraw/zinc/56/88/71/685568871.db2.gz QLZFZMZCRWPOEV-GFCCVEGCSA-N 1 2 293.367 1.244 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccoc2CC)C1 ZINC001035355510 685611305 /nfs/dbraw/zinc/61/13/05/685611305.db2.gz WYPFJXJQTAPNRC-ZDUSSCGKSA-N 1 2 292.379 1.849 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccoc2CC)C1 ZINC001035355510 685611313 /nfs/dbraw/zinc/61/13/13/685611313.db2.gz WYPFJXJQTAPNRC-ZDUSSCGKSA-N 1 2 292.379 1.849 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1C(=O)OC)C(C)C ZINC000932388746 685617243 /nfs/dbraw/zinc/61/72/43/685617243.db2.gz USVRAYDVPZGXAZ-UHFFFAOYSA-N 1 2 288.347 1.755 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1ccccc1C(=O)OC)C(C)C ZINC000932388746 685617252 /nfs/dbraw/zinc/61/72/52/685617252.db2.gz USVRAYDVPZGXAZ-UHFFFAOYSA-N 1 2 288.347 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010459191 685640693 /nfs/dbraw/zinc/64/06/93/685640693.db2.gz WWCWDEQBHVPKHV-NSHDSACASA-N 1 2 278.743 1.443 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010459191 685640703 /nfs/dbraw/zinc/64/07/03/685640703.db2.gz WWCWDEQBHVPKHV-NSHDSACASA-N 1 2 278.743 1.443 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2cncn2C)C1 ZINC001033595090 684333893 /nfs/dbraw/zinc/33/38/93/684333893.db2.gz QPJRZCQROQMFNI-LBPRGKRZSA-N 1 2 296.802 1.248 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2cncn2C)C1 ZINC001033595090 684333896 /nfs/dbraw/zinc/33/38/96/684333896.db2.gz QPJRZCQROQMFNI-LBPRGKRZSA-N 1 2 296.802 1.248 20 30 CDEDLO C=C(C)C[C@@H](CO)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000882903376 684343138 /nfs/dbraw/zinc/34/31/38/684343138.db2.gz BDONGNHICGJBIJ-UONOGXRCSA-N 1 2 279.384 1.914 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(-n3cccn3)nc2)C1 ZINC001030767409 684363567 /nfs/dbraw/zinc/36/35/67/684363567.db2.gz GZWVZUXNILVSMJ-UHFFFAOYSA-N 1 2 297.362 1.257 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001031362792 684370335 /nfs/dbraw/zinc/37/03/35/684370335.db2.gz CBWPALSBLBNFIN-UHFFFAOYSA-N 1 2 267.332 1.605 20 30 CDEDLO C#CCOCCNC(=O)NCCCCNc1cccc[nH+]1 ZINC000784546598 684374273 /nfs/dbraw/zinc/37/42/73/684374273.db2.gz ZLBBPVZOKYRDJD-UHFFFAOYSA-N 1 2 290.367 1.223 20 30 CDEDLO C#CC[C@@H]([NH2+][C@@H](C)CC1CCOCC1)C(=O)OC ZINC000839169488 684396435 /nfs/dbraw/zinc/39/64/35/684396435.db2.gz SJPJDAPPFBPEPO-WCQYABFASA-N 1 2 253.342 1.346 20 30 CDEDLO C=CC(C)(C)CNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000838112950 684418117 /nfs/dbraw/zinc/41/81/17/684418117.db2.gz CRXDSMAUKBKBHE-LBPRGKRZSA-N 1 2 269.389 1.219 20 30 CDEDLO C=CC(C)(C)CNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000838112950 684418120 /nfs/dbraw/zinc/41/81/20/684418120.db2.gz CRXDSMAUKBKBHE-LBPRGKRZSA-N 1 2 269.389 1.219 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000879812905 684523854 /nfs/dbraw/zinc/52/38/54/684523854.db2.gz FAONZLGSTHLEAF-CYBMUJFWSA-N 1 2 268.401 1.768 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]2OC)C1 ZINC001031793310 684527741 /nfs/dbraw/zinc/52/77/41/684527741.db2.gz MUMJEPLLEZAOCC-STQMWFEESA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Br)C[N@H+]1CCC[C@H](NC(C)=O)[C@@H]1C ZINC000992927725 684586304 /nfs/dbraw/zinc/58/63/04/684586304.db2.gz XUZFQDYOZNZMHW-ONGXEEELSA-N 1 2 275.190 1.884 20 30 CDEDLO C=C(Br)C[N@@H+]1CCC[C@H](NC(C)=O)[C@@H]1C ZINC000992927725 684586311 /nfs/dbraw/zinc/58/63/11/684586311.db2.gz XUZFQDYOZNZMHW-ONGXEEELSA-N 1 2 275.190 1.884 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c[nH]nc2C2CC2)C1 ZINC001031191517 684646516 /nfs/dbraw/zinc/64/65/16/684646516.db2.gz QJNJGOLJSVMTOX-UHFFFAOYSA-N 1 2 260.341 1.277 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cn(CC)cn2)C1 ZINC001044193627 684654112 /nfs/dbraw/zinc/65/41/12/684654112.db2.gz TXRRAEGOLUZJAY-UHFFFAOYSA-N 1 2 262.357 1.235 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)C=C)C[C@H]21 ZINC001074312548 684674002 /nfs/dbraw/zinc/67/40/02/684674002.db2.gz OUPJWYOXQSWVKI-HUUCEWRRSA-N 1 2 290.407 1.524 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)C=C)C[C@H]21 ZINC001074312548 684674016 /nfs/dbraw/zinc/67/40/16/684674016.db2.gz OUPJWYOXQSWVKI-HUUCEWRRSA-N 1 2 290.407 1.524 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2cc(CC)[nH]n2)C1 ZINC001033752108 684696851 /nfs/dbraw/zinc/69/68/51/684696851.db2.gz BFJMCPSBTLMTTP-ZDUSSCGKSA-N 1 2 274.368 1.142 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(CC)[nH]n2)C1 ZINC001033752108 684696855 /nfs/dbraw/zinc/69/68/55/684696855.db2.gz BFJMCPSBTLMTTP-ZDUSSCGKSA-N 1 2 274.368 1.142 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccon2)cc1 ZINC001038083512 684702628 /nfs/dbraw/zinc/70/26/28/684702628.db2.gz MPBCLUUPWJLRJE-CQSZACIVSA-N 1 2 296.330 1.551 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccon2)cc1 ZINC001038083512 684702632 /nfs/dbraw/zinc/70/26/32/684702632.db2.gz MPBCLUUPWJLRJE-CQSZACIVSA-N 1 2 296.330 1.551 20 30 CDEDLO C=C(C)C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C(=O)OCC ZINC000881754745 684721542 /nfs/dbraw/zinc/72/15/42/684721542.db2.gz WQQAMYAUCAZDBC-LLVKDONJSA-N 1 2 279.340 1.356 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C1CC(F)(F)C1 ZINC001050865171 684726581 /nfs/dbraw/zinc/72/65/81/684726581.db2.gz IDGCLVZAKZNQLT-LBPRGKRZSA-N 1 2 288.338 1.425 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CC(F)(F)C1 ZINC001050865171 684726587 /nfs/dbraw/zinc/72/65/87/684726587.db2.gz IDGCLVZAKZNQLT-LBPRGKRZSA-N 1 2 288.338 1.425 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CO[C@H](C)C2)C1 ZINC001043147887 684807030 /nfs/dbraw/zinc/80/70/30/684807030.db2.gz VTNURWQQJRONQJ-VXGBXAGGSA-N 1 2 252.358 1.130 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C1CC1)C1CC1 ZINC001032723034 684834543 /nfs/dbraw/zinc/83/45/43/684834543.db2.gz PLXJYAPTSKITRG-GJZGRUSLSA-N 1 2 272.392 1.731 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C1CC1)C1CC1 ZINC001032723034 684834545 /nfs/dbraw/zinc/83/45/45/684834545.db2.gz PLXJYAPTSKITRG-GJZGRUSLSA-N 1 2 272.392 1.731 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn3ccccc23)C1 ZINC001031116488 684865860 /nfs/dbraw/zinc/86/58/60/684865860.db2.gz PEUBUPZEFKHAIK-UHFFFAOYSA-N 1 2 270.336 1.324 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2cnc(C)s2)CC[C@@H]1C ZINC001071381382 684897357 /nfs/dbraw/zinc/89/73/57/684897357.db2.gz NLNZKIMCDZAXGF-CMPLNLGQSA-N 1 2 277.393 1.667 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2cnc(C)s2)CC[C@@H]1C ZINC001071381382 684897360 /nfs/dbraw/zinc/89/73/60/684897360.db2.gz NLNZKIMCDZAXGF-CMPLNLGQSA-N 1 2 277.393 1.667 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1coc(C)n1)O2 ZINC001053593258 684906741 /nfs/dbraw/zinc/90/67/41/684906741.db2.gz GATORICZDWGDHO-GFCCVEGCSA-N 1 2 291.351 1.132 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(C)C)nc1 ZINC001038349745 684911868 /nfs/dbraw/zinc/91/18/68/684911868.db2.gz MEFKFOIYZMRFFV-CQSZACIVSA-N 1 2 271.364 1.642 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(C)C)nc1 ZINC001038349745 684911877 /nfs/dbraw/zinc/91/18/77/684911877.db2.gz MEFKFOIYZMRFFV-CQSZACIVSA-N 1 2 271.364 1.642 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1occc1Cl ZINC001038670361 684914743 /nfs/dbraw/zinc/91/47/43/684914743.db2.gz JSESKNNBOJXZTH-JTQLQIEISA-N 1 2 266.728 1.760 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1occc1Cl ZINC001038670361 684914750 /nfs/dbraw/zinc/91/47/50/684914750.db2.gz JSESKNNBOJXZTH-JTQLQIEISA-N 1 2 266.728 1.760 20 30 CDEDLO N#CCN[C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001034689157 684917288 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685935908 /nfs/dbraw/zinc/93/59/08/685935908.db2.gz SCWBESYKTNCVMO-AXFHLTTASA-N 1 2 292.276 1.443 20 30 CDEDLO CC(C)[C@@H](C)NC(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000089506454 685953877 /nfs/dbraw/zinc/95/38/77/685953877.db2.gz NDMDVDAOROTZGP-LLVKDONJSA-N 1 2 278.356 1.074 20 30 CDEDLO CCC(=[NH+]NC(=S)NCCCOC)c1ccc(N)cc1 ZINC000863067690 685975278 /nfs/dbraw/zinc/97/52/78/685975278.db2.gz HSLOIXYYTMZKNA-UHFFFAOYSA-N 1 2 294.424 1.884 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C2CCC(NC(C)=O)CC2)C1 ZINC001031480900 686006230 /nfs/dbraw/zinc/00/62/30/686006230.db2.gz GRQCIBOVQOLSEW-UHFFFAOYSA-N 1 2 293.411 1.058 20 30 CDEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccoc3)C2)CC1 ZINC001051981976 686014462 /nfs/dbraw/zinc/01/44/62/686014462.db2.gz WAIHFSFZJLEUSU-HNNXBMFYSA-N 1 2 289.379 1.298 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)[C@@H]1CCCC[C@H]1C ZINC000884309637 686051164 /nfs/dbraw/zinc/05/11/64/686051164.db2.gz AJDYGOJXDZQSOS-HZSPNIEDSA-N 1 2 296.411 1.860 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC2(CC2)C1 ZINC001032621043 686172013 /nfs/dbraw/zinc/17/20/13/686172013.db2.gz PWPILKSOHHZFRS-KBPBESRZSA-N 1 2 258.365 1.485 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(CF)CC3)C[C@H]21 ZINC001074336028 686179492 /nfs/dbraw/zinc/17/94/92/686179492.db2.gz IZDPBGOVVIBESN-ZIAGYGMSSA-N 1 2 296.386 1.614 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3(CF)CC3)C[C@H]21 ZINC001074336028 686179501 /nfs/dbraw/zinc/17/95/01/686179501.db2.gz IZDPBGOVVIBESN-ZIAGYGMSSA-N 1 2 296.386 1.614 20 30 CDEDLO N#Cc1cc(C(=O)NC[C@H]2CC[N@H+]2C/C=C\Cl)c[nH]1 ZINC001038169709 686215458 /nfs/dbraw/zinc/21/54/58/686215458.db2.gz UYYUPFZOQDSRDN-BIVBXWGWSA-N 1 2 278.743 1.443 20 30 CDEDLO N#Cc1cc(C(=O)NC[C@H]2CC[N@@H+]2C/C=C\Cl)c[nH]1 ZINC001038169709 686215489 /nfs/dbraw/zinc/21/54/89/686215489.db2.gz UYYUPFZOQDSRDN-BIVBXWGWSA-N 1 2 278.743 1.443 20 30 CDEDLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(C#N)cn2)c1C ZINC000107467268 686230102 /nfs/dbraw/zinc/23/01/02/686230102.db2.gz WFXDFUZZHJHQDG-UHFFFAOYSA-N 1 2 296.330 1.904 20 30 CDEDLO C#CC1CC[NH+](Cc2csc(NC(C)=O)n2)CC1 ZINC000830311603 686235273 /nfs/dbraw/zinc/23/52/73/686235273.db2.gz QUMWLNUKBXADRW-UHFFFAOYSA-N 1 2 263.366 1.947 20 30 CDEDLO Cc1nc(NC[C@H]2C[C@H](C)N(C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001068324485 686325738 /nfs/dbraw/zinc/32/57/38/686325738.db2.gz VLGDVZWHBMHJHT-SWLSCSKDSA-N 1 2 298.390 1.847 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(C)CCCC1)CO2 ZINC001053886623 686343331 /nfs/dbraw/zinc/34/33/31/686343331.db2.gz PEHYIWFYRSSQNM-CQSZACIVSA-N 1 2 290.407 1.550 20 30 CDEDLO CCc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C)C#N)nc(C)[nH+]1 ZINC001062457118 686387339 /nfs/dbraw/zinc/38/73/39/686387339.db2.gz LATNXFHAJLBEGI-BPNCWPANSA-N 1 2 299.378 1.297 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2ncn(C)c21 ZINC001038426996 686531512 /nfs/dbraw/zinc/53/15/12/686531512.db2.gz MLMXCFDPMZRTRB-GFCCVEGCSA-N 1 2 282.347 1.011 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2ncn(C)c21 ZINC001038426996 686531519 /nfs/dbraw/zinc/53/15/19/686531519.db2.gz MLMXCFDPMZRTRB-GFCCVEGCSA-N 1 2 282.347 1.011 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]nc(C)c2c1 ZINC001038500598 686640625 /nfs/dbraw/zinc/64/06/25/686640625.db2.gz OIWGOYSPOJMAGZ-AWEZNQCLSA-N 1 2 296.374 1.699 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]nc(C)c2c1 ZINC001038500598 686640634 /nfs/dbraw/zinc/64/06/34/686640634.db2.gz OIWGOYSPOJMAGZ-AWEZNQCLSA-N 1 2 296.374 1.699 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2c(C)noc2CC)CC1 ZINC000989640469 686706260 /nfs/dbraw/zinc/70/62/60/686706260.db2.gz KBDIEKUCZXRUFZ-UHFFFAOYSA-N 1 2 275.352 1.327 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2c(C)noc2CC)CC1 ZINC000989640469 686706291 /nfs/dbraw/zinc/70/62/91/686706291.db2.gz KBDIEKUCZXRUFZ-UHFFFAOYSA-N 1 2 275.352 1.327 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(C(C)C)[nH]c2=O)C1 ZINC001031054382 686761431 /nfs/dbraw/zinc/76/14/31/686761431.db2.gz QZJDDSJSQPCIPP-UHFFFAOYSA-N 1 2 289.379 1.901 20 30 CDEDLO COc1ccc(C)cc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000819392410 686788244 /nfs/dbraw/zinc/78/82/44/686788244.db2.gz AFCQXRHKUOPTED-ZDUSSCGKSA-N 1 2 277.368 1.622 20 30 CDEDLO COc1ccc(C)cc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000819392410 686788255 /nfs/dbraw/zinc/78/82/55/686788255.db2.gz AFCQXRHKUOPTED-ZDUSSCGKSA-N 1 2 277.368 1.622 20 30 CDEDLO N#CCc1cccc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)n1 ZINC000881142629 686802951 /nfs/dbraw/zinc/80/29/51/686802951.db2.gz JPRHZIXFGBLCAD-LLVKDONJSA-N 1 2 282.307 1.091 20 30 CDEDLO C#CCC1(C(=O)N2CC[NH+](CCOC)CC2)CCCCC1 ZINC000788134646 686846838 /nfs/dbraw/zinc/84/68/38/686846838.db2.gz FJRRWSQDVNYPDM-UHFFFAOYSA-N 1 2 292.423 1.751 20 30 CDEDLO CC(=O)N[C@@H]1CCC[N@H+](Cc2cncc(C#N)c2)C1 ZINC000929287308 686858507 /nfs/dbraw/zinc/85/85/07/686858507.db2.gz TYWSGHPKHZKNHV-CQSZACIVSA-N 1 2 258.325 1.054 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(N3CCCC3)ccn2)C1 ZINC001030626309 686889496 /nfs/dbraw/zinc/88/94/96/686889496.db2.gz ZUPWHNUGQCCXTR-UHFFFAOYSA-N 1 2 298.390 1.119 20 30 CDEDLO COC(=O)COc1ccc(C=NNc2[nH+]ccn2C)cc1 ZINC000790299965 686903119 /nfs/dbraw/zinc/90/31/19/686903119.db2.gz LATDZRLTMGYQNF-UHFFFAOYSA-N 1 2 288.307 1.418 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000839532526 686946192 /nfs/dbraw/zinc/94/61/92/686946192.db2.gz UAJFEIBIMHNDRB-UHFFFAOYSA-N 1 2 271.320 1.417 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000839532526 686946207 /nfs/dbraw/zinc/94/62/07/686946207.db2.gz UAJFEIBIMHNDRB-UHFFFAOYSA-N 1 2 271.320 1.417 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccsc1 ZINC001017333996 687035629 /nfs/dbraw/zinc/03/56/29/687035629.db2.gz UZGYYDWSIVMSFH-BETUJISGSA-N 1 2 260.362 1.670 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccsc1 ZINC001017333996 687035633 /nfs/dbraw/zinc/03/56/33/687035633.db2.gz UZGYYDWSIVMSFH-BETUJISGSA-N 1 2 260.362 1.670 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1oncc1C)O2 ZINC001053685603 687050497 /nfs/dbraw/zinc/05/04/97/687050497.db2.gz UQNQPJJESPQNFP-GFCCVEGCSA-N 1 2 291.351 1.132 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C(F)F)nc2)C1 ZINC001030415015 687059342 /nfs/dbraw/zinc/05/93/42/687059342.db2.gz PXEVCKUAEAVEID-UHFFFAOYSA-N 1 2 279.290 1.457 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)cccc1F ZINC001039087526 687072551 /nfs/dbraw/zinc/07/25/51/687072551.db2.gz HXSBFUWKTINFHG-ZDUSSCGKSA-N 1 2 274.339 1.962 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)cccc1F ZINC001039087526 687072555 /nfs/dbraw/zinc/07/25/55/687072555.db2.gz HXSBFUWKTINFHG-ZDUSSCGKSA-N 1 2 274.339 1.962 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)CC2CCC(OC)CC2)C1 ZINC001044374709 687080398 /nfs/dbraw/zinc/08/03/98/687080398.db2.gz WKMKRDXTQCKVPL-UHFFFAOYSA-N 1 2 280.412 1.910 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)OCCCn1cc[nH+]c1 ZINC000838078662 687087719 /nfs/dbraw/zinc/08/77/19/687087719.db2.gz QEJIUVVPHXMJIU-UHFFFAOYSA-N 1 2 258.281 1.638 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCN(c2ccccc2)C1 ZINC001038407783 687091287 /nfs/dbraw/zinc/09/12/87/687091287.db2.gz ZMGNKYMPXAGVNQ-WBVHZDCISA-N 1 2 297.402 1.337 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCN(c2ccccc2)C1 ZINC001038407783 687091291 /nfs/dbraw/zinc/09/12/91/687091291.db2.gz ZMGNKYMPXAGVNQ-WBVHZDCISA-N 1 2 297.402 1.337 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1CCC ZINC000884315146 687091929 /nfs/dbraw/zinc/09/19/29/687091929.db2.gz HOQISSLFKBDTME-OLZOCXBDSA-N 1 2 282.384 1.614 20 30 CDEDLO Cn1cc[nH+]c1NN=Cc1ccc2c(c1)CCC(=O)N2C ZINC000790299463 687097958 /nfs/dbraw/zinc/09/79/58/687097958.db2.gz BYAILDJCRQEWGU-UHFFFAOYSA-N 1 2 283.335 1.775 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc3ccccn3c2)C1 ZINC001031047404 687106682 /nfs/dbraw/zinc/10/66/82/687106682.db2.gz NNKZHAIBRPIEMJ-UHFFFAOYSA-N 1 2 267.332 1.377 20 30 CDEDLO CCn1ncnc1CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000853656836 687108549 /nfs/dbraw/zinc/10/85/49/687108549.db2.gz DBALAMUOMFPWIZ-UHFFFAOYSA-N 1 2 277.303 1.583 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cnccc2C)C1 ZINC001014774410 687117691 /nfs/dbraw/zinc/11/76/91/687117691.db2.gz DUDZFBSUQARVTQ-CQSZACIVSA-N 1 2 293.798 1.876 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnccc2C)C1 ZINC001014774410 687117703 /nfs/dbraw/zinc/11/77/03/687117703.db2.gz DUDZFBSUQARVTQ-CQSZACIVSA-N 1 2 293.798 1.876 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnc(C3CC3)nc2)C1 ZINC001044009813 687132707 /nfs/dbraw/zinc/13/27/07/687132707.db2.gz KJUBAQXIDVEBJM-UHFFFAOYSA-N 1 2 286.379 1.686 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)OCCO[C@H](C)C#N)ccn12 ZINC000848783151 687139440 /nfs/dbraw/zinc/13/94/40/687139440.db2.gz UKZCVHAVGCCQKH-LLVKDONJSA-N 1 2 273.292 1.728 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cccc(COC)c2)C1 ZINC001031242247 687140597 /nfs/dbraw/zinc/14/05/97/687140597.db2.gz SKLVLFGQAMLBGR-UHFFFAOYSA-N 1 2 288.391 1.752 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C)c1 ZINC001017474963 687142311 /nfs/dbraw/zinc/14/23/11/687142311.db2.gz PDWUSHWOHOZNCD-GASCZTMLSA-N 1 2 271.364 1.337 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C)c1 ZINC001017474963 687142312 /nfs/dbraw/zinc/14/23/12/687142312.db2.gz PDWUSHWOHOZNCD-GASCZTMLSA-N 1 2 271.364 1.337 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnn1[C@@H](C)CC ZINC001038306720 687149903 /nfs/dbraw/zinc/14/99/03/687149903.db2.gz BHVMSZOMODTFRP-QWHCGFSZSA-N 1 2 274.368 1.291 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnn1[C@@H](C)CC ZINC001038306720 687149905 /nfs/dbraw/zinc/14/99/05/687149905.db2.gz BHVMSZOMODTFRP-QWHCGFSZSA-N 1 2 274.368 1.291 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC23CC3)C1 ZINC001073785118 687152056 /nfs/dbraw/zinc/15/20/56/687152056.db2.gz BSJOXRACLSPXAG-STQMWFEESA-N 1 2 298.814 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC23CC3)C1 ZINC001073785118 687152058 /nfs/dbraw/zinc/15/20/58/687152058.db2.gz BSJOXRACLSPXAG-STQMWFEESA-N 1 2 298.814 1.746 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[C@@H](C)O1)CO2 ZINC001053932028 687179664 /nfs/dbraw/zinc/17/96/64/687179664.db2.gz JMDWXAFGUNNDSY-MGPQQGTHSA-N 1 2 294.395 1.090 20 30 CDEDLO N#Cc1cc(O)cc(C(=O)OCc2cc[nH+]c(N)c2)c1 ZINC000811183943 687204659 /nfs/dbraw/zinc/20/46/59/687204659.db2.gz CCCBXPDEYKXWSM-UHFFFAOYSA-N 1 2 269.260 1.598 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(OC)CC1 ZINC001032593643 687212655 /nfs/dbraw/zinc/21/26/55/687212655.db2.gz NXGACRGKKXNRGC-PYBGIAKNSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(OC)CC1 ZINC001032593643 687212665 /nfs/dbraw/zinc/21/26/65/687212665.db2.gz NXGACRGKKXNRGC-PYBGIAKNSA-N 1 2 290.407 1.500 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(=O)[nH]c2)C1 ZINC001015309390 687247865 /nfs/dbraw/zinc/24/78/65/687247865.db2.gz FOSIAJGKBSTPOC-LBPRGKRZSA-N 1 2 295.770 1.273 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(=O)[nH]c2)C1 ZINC001015309390 687247871 /nfs/dbraw/zinc/24/78/71/687247871.db2.gz FOSIAJGKBSTPOC-LBPRGKRZSA-N 1 2 295.770 1.273 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1cc(OC)ns1 ZINC001038263747 687265036 /nfs/dbraw/zinc/26/50/36/687265036.db2.gz WHFDHZJXAIBJTQ-SNVBAGLBSA-N 1 2 281.381 1.532 20 30 CDEDLO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1F ZINC000862399857 687323369 /nfs/dbraw/zinc/32/33/69/687323369.db2.gz FJFPQBBUBZOTIF-HNNXBMFYSA-N 1 2 295.333 1.881 20 30 CDEDLO CN(C)c1cc(F)c(C[N@H+]2CC[C@@](O)(CC#N)C2)cc1F ZINC000862399857 687323375 /nfs/dbraw/zinc/32/33/75/687323375.db2.gz FJFPQBBUBZOTIF-HNNXBMFYSA-N 1 2 295.333 1.881 20 30 CDEDLO C=C(Br)C[NH+]1CCC(CC(N)=O)CC1 ZINC000052441548 687354744 /nfs/dbraw/zinc/35/47/44/687354744.db2.gz FMFFCTHZIFZZIG-UHFFFAOYSA-N 1 2 261.163 1.482 20 30 CDEDLO Cc1nn(Cc2ccccc2)c(C)c1C=NNC1=[NH+]CCN1 ZINC000841660167 687368757 /nfs/dbraw/zinc/36/87/57/687368757.db2.gz DHJGNRNRRDLPTI-UHFFFAOYSA-N 1 2 296.378 1.431 20 30 CDEDLO C=C1CCC(C(=O)NC2C[NH+](CCCF)C2)CC1 ZINC001030899680 687375861 /nfs/dbraw/zinc/37/58/61/687375861.db2.gz GNCSNMYSMGEEHC-UHFFFAOYSA-N 1 2 254.349 1.893 20 30 CDEDLO C#CCC1(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCC1 ZINC000886792525 687382733 /nfs/dbraw/zinc/38/27/33/687382733.db2.gz CVHKFZYSXNPBOI-GFCCVEGCSA-N 1 2 257.337 1.508 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2n1CCCC2 ZINC001017839719 687386655 /nfs/dbraw/zinc/38/66/55/687386655.db2.gz SDVPDTZDSRCPNE-OKILXGFUSA-N 1 2 298.390 1.141 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2n1CCCC2 ZINC001017839719 687386663 /nfs/dbraw/zinc/38/66/63/687386663.db2.gz SDVPDTZDSRCPNE-OKILXGFUSA-N 1 2 298.390 1.141 20 30 CDEDLO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001008444294 687391328 /nfs/dbraw/zinc/39/13/28/687391328.db2.gz WCGXQAXWCPJAPU-JTQLQIEISA-N 1 2 266.320 1.319 20 30 CDEDLO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001008444294 687391331 /nfs/dbraw/zinc/39/13/31/687391331.db2.gz WCGXQAXWCPJAPU-JTQLQIEISA-N 1 2 266.320 1.319 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(F)c(OC)c1 ZINC001038728798 687442744 /nfs/dbraw/zinc/44/27/44/687442744.db2.gz UDCKECJHJSEWNN-CYBMUJFWSA-N 1 2 290.338 1.662 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(F)c(OC)c1 ZINC001038728798 687442756 /nfs/dbraw/zinc/44/27/56/687442756.db2.gz UDCKECJHJSEWNN-CYBMUJFWSA-N 1 2 290.338 1.662 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccnn2C)[C@@H]1C ZINC000993126468 687482584 /nfs/dbraw/zinc/48/25/84/687482584.db2.gz JXHZTGRAPCKXRM-RYUDHWBXSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccnn2C)[C@@H]1C ZINC000993126468 687482604 /nfs/dbraw/zinc/48/26/04/687482604.db2.gz JXHZTGRAPCKXRM-RYUDHWBXSA-N 1 2 296.802 1.755 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(F)F ZINC001017523911 687513924 /nfs/dbraw/zinc/51/39/24/687513924.db2.gz VUDINUROLKFGFX-RNJOBUHISA-N 1 2 282.334 1.586 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(F)F ZINC001017523911 687513941 /nfs/dbraw/zinc/51/39/41/687513941.db2.gz VUDINUROLKFGFX-RNJOBUHISA-N 1 2 282.334 1.586 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001015795972 687578633 /nfs/dbraw/zinc/57/86/33/687578633.db2.gz UGJWHECJAFBCHW-LLVKDONJSA-N 1 2 261.325 1.235 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001015795972 687578648 /nfs/dbraw/zinc/57/86/48/687578648.db2.gz UGJWHECJAFBCHW-LLVKDONJSA-N 1 2 261.325 1.235 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2cncs2)C1 ZINC001042997603 687601765 /nfs/dbraw/zinc/60/17/65/687601765.db2.gz CVYREOHGXOEZIU-UHFFFAOYSA-N 1 2 265.382 1.404 20 30 CDEDLO O=C(C#Cc1cccs1)NCCCCn1cc[nH+]c1 ZINC000825891615 687692190 /nfs/dbraw/zinc/69/21/90/687692190.db2.gz MQJYYTHANJUVSI-UHFFFAOYSA-N 1 2 273.361 1.893 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001038402562 687718365 /nfs/dbraw/zinc/71/83/65/687718365.db2.gz OBWWRPPSCCLTEH-GJZGRUSLSA-N 1 2 260.381 1.947 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001038402562 687718387 /nfs/dbraw/zinc/71/83/87/687718387.db2.gz OBWWRPPSCCLTEH-GJZGRUSLSA-N 1 2 260.381 1.947 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccncn2)C1 ZINC001046711789 687733327 /nfs/dbraw/zinc/73/33/27/687733327.db2.gz OICGZSPFCOXQSI-ZDUSSCGKSA-N 1 2 280.759 1.423 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccncn2)C1 ZINC001046711789 687733338 /nfs/dbraw/zinc/73/33/38/687733338.db2.gz OICGZSPFCOXQSI-ZDUSSCGKSA-N 1 2 280.759 1.423 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccnn2)[C@@H]1C ZINC000994075268 687764061 /nfs/dbraw/zinc/76/40/61/687764061.db2.gz XNUAPTIGRXPGHR-NWDGAFQWSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccnn2)[C@@H]1C ZINC000994075268 687764078 /nfs/dbraw/zinc/76/40/78/687764078.db2.gz XNUAPTIGRXPGHR-NWDGAFQWSA-N 1 2 294.786 1.812 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2csnn2)C(C)(C)C1 ZINC000995569463 687786199 /nfs/dbraw/zinc/78/61/99/687786199.db2.gz AHARRXYRXLJKHQ-GXSJLCMTSA-N 1 2 293.396 1.024 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874892823 687837791 /nfs/dbraw/zinc/83/77/91/687837791.db2.gz MFJMRYUUCODYRY-MFKMUULPSA-N 1 2 261.300 1.458 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(N)=O ZINC001029419643 687841124 /nfs/dbraw/zinc/84/11/24/687841124.db2.gz IGZDTJCOVSZJOA-RWMBFGLXSA-N 1 2 293.411 1.138 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(N)=O ZINC001029419643 687841126 /nfs/dbraw/zinc/84/11/26/687841126.db2.gz IGZDTJCOVSZJOA-RWMBFGLXSA-N 1 2 293.411 1.138 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(COC)c1 ZINC001038473796 687867346 /nfs/dbraw/zinc/86/73/46/687867346.db2.gz QJCMHSBRLJTPOU-HNNXBMFYSA-N 1 2 272.348 1.270 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(COC)c1 ZINC001038473796 687867347 /nfs/dbraw/zinc/86/73/47/687867347.db2.gz QJCMHSBRLJTPOU-HNNXBMFYSA-N 1 2 272.348 1.270 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(OC)ns1 ZINC001032409894 687879964 /nfs/dbraw/zinc/87/99/64/687879964.db2.gz FLDJHNZGDRFAPH-QWRGUYRKSA-N 1 2 293.392 1.627 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(OC)ns1 ZINC001032409894 687879965 /nfs/dbraw/zinc/87/99/65/687879965.db2.gz FLDJHNZGDRFAPH-QWRGUYRKSA-N 1 2 293.392 1.627 20 30 CDEDLO C#CCCCCCC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928645341 687890517 /nfs/dbraw/zinc/89/05/17/687890517.db2.gz XOXHKXSWNGTZPG-HNNXBMFYSA-N 1 2 280.412 1.797 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2=COCCC2)C1 ZINC001010356750 687908590 /nfs/dbraw/zinc/90/85/90/687908590.db2.gz VRRVIWFITUPSHN-LBPRGKRZSA-N 1 2 270.760 1.624 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2=COCCC2)C1 ZINC001010356750 687908595 /nfs/dbraw/zinc/90/85/95/687908595.db2.gz VRRVIWFITUPSHN-LBPRGKRZSA-N 1 2 270.760 1.624 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)c1 ZINC000874892403 687965944 /nfs/dbraw/zinc/96/59/44/687965944.db2.gz GJSRIWFHNZTBQP-OAHLLOKOSA-N 1 2 298.321 1.812 20 30 CDEDLO N#CCN[C@@H]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000981170861 687976506 /nfs/dbraw/zinc/97/65/06/687976506.db2.gz RCSDYAXVSUCNQR-CHWSQXEVSA-N 1 2 297.362 1.717 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000158874718 688033130 /nfs/dbraw/zinc/03/31/30/688033130.db2.gz LCSIIHBDIZGXET-RYUDHWBXSA-N 1 2 270.373 1.786 20 30 CDEDLO C=CC[N@H+]1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000158874718 688033138 /nfs/dbraw/zinc/03/31/38/688033138.db2.gz LCSIIHBDIZGXET-RYUDHWBXSA-N 1 2 270.373 1.786 20 30 CDEDLO CC[C@@H](C#N)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000845651812 688035306 /nfs/dbraw/zinc/03/53/06/688035306.db2.gz ITCIYOFCYCZXBY-JTQLQIEISA-N 1 2 273.327 1.724 20 30 CDEDLO CC[C@@H](C#N)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000845651812 688035312 /nfs/dbraw/zinc/03/53/12/688035312.db2.gz ITCIYOFCYCZXBY-JTQLQIEISA-N 1 2 273.327 1.724 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2[nH]nnc2C)CC[C@H]1C ZINC001071731917 688053090 /nfs/dbraw/zinc/05/30/90/688053090.db2.gz MLMDGZAUZGLRQM-MWLCHTKSSA-N 1 2 297.790 1.448 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2[nH]nnc2C)CC[C@H]1C ZINC001071731917 688053096 /nfs/dbraw/zinc/05/30/96/688053096.db2.gz MLMDGZAUZGLRQM-MWLCHTKSSA-N 1 2 297.790 1.448 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(OC)cc1OC ZINC001038960885 688084588 /nfs/dbraw/zinc/08/45/88/688084588.db2.gz MGSGNXRUMQULAI-LBPRGKRZSA-N 1 2 288.347 1.141 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OC)cc1OC ZINC001038960885 688084594 /nfs/dbraw/zinc/08/45/94/688084594.db2.gz MGSGNXRUMQULAI-LBPRGKRZSA-N 1 2 288.347 1.141 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1occc1C(C)C ZINC001038626727 688138017 /nfs/dbraw/zinc/13/80/17/688138017.db2.gz HXFKHAZTYDAYDA-LBPRGKRZSA-N 1 2 260.337 1.840 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1occc1C(C)C ZINC001038626727 688138025 /nfs/dbraw/zinc/13/80/25/688138025.db2.gz HXFKHAZTYDAYDA-LBPRGKRZSA-N 1 2 260.337 1.840 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](OC)[C@H](C)CC)CC1 ZINC001113045127 1162085213 /nfs/dbraw/zinc/08/52/13/1162085213.db2.gz ZQWKFNZWWLCIKS-CHWSQXEVSA-N 1 2 254.374 1.378 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](CCC)OCC)CC1 ZINC001113221592 1162131609 /nfs/dbraw/zinc/13/16/09/1162131609.db2.gz XBVFDMAUIDRFRG-CYBMUJFWSA-N 1 2 254.374 1.522 20 30 CDEDLO C[C@@H](Nc1ccc(C#N)cn1)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001113314833 1162152591 /nfs/dbraw/zinc/15/25/91/1162152591.db2.gz WINZPSVEZIYBNG-MNOVXSKESA-N 1 2 298.350 1.224 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NC[C@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113582268 1162232011 /nfs/dbraw/zinc/23/20/11/1162232011.db2.gz CRFFGWRMYPOMRK-NHYWBVRUSA-N 1 2 292.383 1.053 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@](C)(NC(C)=O)C(C)C)CC1 ZINC001113701904 1162260659 /nfs/dbraw/zinc/26/06/59/1162260659.db2.gz OPTWFJGFMKDBSN-INIZCTEOSA-N 1 2 295.427 1.258 20 30 CDEDLO C#CCN(C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000812015632 1163572060 /nfs/dbraw/zinc/57/20/60/1163572060.db2.gz QOMLBGKHGWBYTM-UHFFFAOYSA-N 1 2 268.320 1.647 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170688551 1163745564 /nfs/dbraw/zinc/74/55/64/1163745564.db2.gz AEGWLPINCYPSEG-STQMWFEESA-N 1 2 277.318 1.619 20 30 CDEDLO N#Cc1cnccc1Nc1ccc(N2CCC(O)CC2)[nH+]c1 ZINC001214004712 1167365803 /nfs/dbraw/zinc/36/58/03/1167365803.db2.gz PFEOMLZMLBETMY-UHFFFAOYSA-N 1 2 295.346 1.475 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)CCc1ccc(C#N)cc1 ZINC001647003053 1168340781 /nfs/dbraw/zinc/34/07/81/1168340781.db2.gz GWPAHMRWTXJTJS-UHFFFAOYSA-N 1 2 282.347 1.583 20 30 CDEDLO C=CCOc1ccc(OC(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)cc1 ZINC001573310959 1170192760 /nfs/dbraw/zinc/19/27/60/1170192760.db2.gz SCASIJNBRHCIDR-HOCLYGCPSA-N 1 2 291.347 1.924 20 30 CDEDLO CC[C@@](C)([NH2+]C[C@H](O)CC1(C#N)CC1)c1c[nH]nn1 ZINC001576189680 1171355026 /nfs/dbraw/zinc/35/50/26/1171355026.db2.gz DYVXQHUNMVIOOC-ZYHUDNBSSA-N 1 2 263.345 1.074 20 30 CDEDLO N#CCNC[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001690473126 1175478696 /nfs/dbraw/zinc/47/86/96/1175478696.db2.gz IFWPRRSTFZCYBV-CYBMUJFWSA-N 1 2 297.362 1.671 20 30 CDEDLO C[C@@H](CC(=O)N1CCCC[C@H]1CNCC#N)n1cc[nH+]c1 ZINC001714136900 1178988657 /nfs/dbraw/zinc/98/86/57/1178988657.db2.gz SDJJYJJNGBMWFV-KBPBESRZSA-N 1 2 289.383 1.328 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cscn1 ZINC001731765500 1182557519 /nfs/dbraw/zinc/55/75/19/1182557519.db2.gz FNDJMDFUHJAZHZ-UHFFFAOYSA-N 1 2 259.762 1.557 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cscn1 ZINC001731765500 1182557525 /nfs/dbraw/zinc/55/75/25/1182557525.db2.gz FNDJMDFUHJAZHZ-UHFFFAOYSA-N 1 2 259.762 1.557 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)COCC ZINC001731815552 1182604347 /nfs/dbraw/zinc/60/43/47/1182604347.db2.gz FDAIECQIROYFRI-LLVKDONJSA-N 1 2 260.765 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)COCC ZINC001731815552 1182604351 /nfs/dbraw/zinc/60/43/51/1182604351.db2.gz FDAIECQIROYFRI-LLVKDONJSA-N 1 2 260.765 1.356 20 30 CDEDLO C#CCCCCC(=O)NC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001753374335 1185175217 /nfs/dbraw/zinc/17/52/17/1185175217.db2.gz ATHQVJHOPBADFB-OAHLLOKOSA-N 1 2 292.423 1.796 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](CCC)OCC)C1 ZINC001753385156 1185179533 /nfs/dbraw/zinc/17/95/33/1185179533.db2.gz KQJMTLXWALSCNJ-CYBMUJFWSA-N 1 2 254.374 1.568 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)c2cccs2)C1 ZINC001753653641 1185289104 /nfs/dbraw/zinc/28/91/04/1185289104.db2.gz FNJWKEKKJVQUAE-OLZOCXBDSA-N 1 2 294.420 1.855 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H](C)c2cccs2)C1 ZINC001753653641 1185289111 /nfs/dbraw/zinc/28/91/11/1185289111.db2.gz FNJWKEKKJVQUAE-OLZOCXBDSA-N 1 2 294.420 1.855 20 30 CDEDLO CC#CCCCC(=O)N[C@@H](C)C[NH2+]Cc1nnc(C)o1 ZINC001754279682 1185547829 /nfs/dbraw/zinc/54/78/29/1185547829.db2.gz PKVLGFOCEBPILZ-NSHDSACASA-N 1 2 278.356 1.166 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC001754505708 1185648120 /nfs/dbraw/zinc/64/81/20/1185648120.db2.gz RRQBZHGTRPNIOT-RDJZCZTQSA-N 1 2 284.403 1.997 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC001754505708 1185648121 /nfs/dbraw/zinc/64/81/21/1185648121.db2.gz RRQBZHGTRPNIOT-RDJZCZTQSA-N 1 2 284.403 1.997 20 30 CDEDLO C=CCC1(C(=O)NCC2(O)C[NH+](CC[C@H](C)F)C2)CCC1 ZINC001754773061 1185729330 /nfs/dbraw/zinc/72/93/30/1185729330.db2.gz BJDQYKWWPQDRAZ-ZDUSSCGKSA-N 1 2 298.402 1.644 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2nnc(C)o2)C1 ZINC001755252148 1185877401 /nfs/dbraw/zinc/87/74/01/1185877401.db2.gz FOHSLLWGFJMDSK-GHMZBOCLSA-N 1 2 292.383 1.717 20 30 CDEDLO C=CC(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1cnsn1 ZINC001755598874 1186007014 /nfs/dbraw/zinc/00/70/14/1186007014.db2.gz BGTACGGHXMCWPN-SNVBAGLBSA-N 1 2 282.413 1.687 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C[C@@H]1CCCO1 ZINC001420370989 962803062 /nfs/dbraw/zinc/80/30/62/962803062.db2.gz JKPVCIKATSPSRF-LBPRGKRZSA-N 1 2 274.792 1.746 20 30 CDEDLO C=C[C@@H]1C[C@@]1([NH2+][C@@H]1CCO[C@@H](C)C1)C(=O)OCC ZINC001173170202 912293738 /nfs/dbraw/zinc/29/37/38/912293738.db2.gz PFDHVDNYQQGPCI-SFTQSGBHSA-N 1 2 253.342 1.651 20 30 CDEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(F)F)C2 ZINC001095094809 912387564 /nfs/dbraw/zinc/38/75/64/912387564.db2.gz QUCVJDSIPLEWOO-VWYCJHECSA-N 1 2 256.296 1.386 20 30 CDEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(F)F)C2 ZINC001095094809 912387580 /nfs/dbraw/zinc/38/75/80/912387580.db2.gz QUCVJDSIPLEWOO-VWYCJHECSA-N 1 2 256.296 1.386 20 30 CDEDLO CCOC(=O)C[C@H]1CC[C@@H]([NH2+]C2(C#N)CCOCC2)C1 ZINC001173634406 912675012 /nfs/dbraw/zinc/67/50/12/912675012.db2.gz PUPGEMJZYOYVLL-QWHCGFSZSA-N 1 2 280.368 1.771 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001234385434 913600714 /nfs/dbraw/zinc/60/07/14/913600714.db2.gz NIRMJIBJHQJOCM-CABCVRRESA-N 1 2 292.423 1.748 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001234385434 913600720 /nfs/dbraw/zinc/60/07/20/913600720.db2.gz NIRMJIBJHQJOCM-CABCVRRESA-N 1 2 292.423 1.748 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)ccc3C)[C@H]2C1 ZINC001083257966 897361523 /nfs/dbraw/zinc/36/15/23/897361523.db2.gz GAZMKXDJGZWMSH-DLBZAZTESA-N 1 2 298.386 1.462 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C)ccc3C)[C@H]2C1 ZINC001083257966 897361535 /nfs/dbraw/zinc/36/15/35/897361535.db2.gz GAZMKXDJGZWMSH-DLBZAZTESA-N 1 2 298.386 1.462 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001023742676 897781742 /nfs/dbraw/zinc/78/17/42/897781742.db2.gz KEYZJNJNKXPHCA-LBPRGKRZSA-N 1 2 297.362 1.033 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001023742676 897781754 /nfs/dbraw/zinc/78/17/54/897781754.db2.gz KEYZJNJNKXPHCA-LBPRGKRZSA-N 1 2 297.362 1.033 20 30 CDEDLO C=CC[N@@H+](CCc1ccccc1)CCS(C)(=O)=O ZINC000065959265 898174758 /nfs/dbraw/zinc/17/47/58/898174758.db2.gz WCJLDIBHINJQRT-UHFFFAOYSA-N 1 2 267.394 1.762 20 30 CDEDLO C=CC[N@H+](CCc1ccccc1)CCS(C)(=O)=O ZINC000065959265 898174767 /nfs/dbraw/zinc/17/47/67/898174767.db2.gz WCJLDIBHINJQRT-UHFFFAOYSA-N 1 2 267.394 1.762 20 30 CDEDLO C[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCS1(=O)=O ZINC000694479622 898468713 /nfs/dbraw/zinc/46/87/13/898468713.db2.gz VCOHSOAUHWMPDK-AWEZNQCLSA-N 1 2 278.377 1.567 20 30 CDEDLO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCS1(=O)=O ZINC000694479622 898468721 /nfs/dbraw/zinc/46/87/21/898468721.db2.gz VCOHSOAUHWMPDK-AWEZNQCLSA-N 1 2 278.377 1.567 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001176831889 914288753 /nfs/dbraw/zinc/28/87/53/914288753.db2.gz CJGPWAPGTVCPSX-UHFFFAOYSA-N 1 2 256.265 1.471 20 30 CDEDLO COc1cccc(NC(=O)CCn2cc[nH+]c2)c1C#N ZINC001176878295 914332588 /nfs/dbraw/zinc/33/25/88/914332588.db2.gz KACXOSOZWQKLGA-UHFFFAOYSA-N 1 2 270.292 1.792 20 30 CDEDLO C#CCCCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000173516623 899679210 /nfs/dbraw/zinc/67/92/10/899679210.db2.gz LOJRQZGKHQSJSU-UHFFFAOYSA-N 1 2 296.330 1.340 20 30 CDEDLO Cc1nc(NC[C@H](CC(C)C)NC(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001104934104 899682731 /nfs/dbraw/zinc/68/27/31/899682731.db2.gz OJRXOFVGVYTBRR-AAEUAGOBSA-N 1 2 289.383 1.888 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCF)C[C@@H]21 ZINC001177067002 914472173 /nfs/dbraw/zinc/47/21/73/914472173.db2.gz 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/nfs/dbraw/zinc/95/27/18/905952718.db2.gz JHWJCZYUSLPQRO-NSHDSACASA-N 1 2 264.300 1.797 20 30 CDEDLO Cc1nc(NC[C@@H]2CCC[C@@H]2NC(=O)C#CC2CC2)cc[nH+]1 ZINC001105659418 909224775 /nfs/dbraw/zinc/22/47/75/909224775.db2.gz SHZBVFHWVNMBSJ-GJZGRUSLSA-N 1 2 298.390 1.895 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC13CC3)c1nccn12 ZINC001092399780 909387611 /nfs/dbraw/zinc/38/76/11/909387611.db2.gz GNSYKNBGYNPVLH-CHWSQXEVSA-N 1 2 298.390 1.441 20 30 CDEDLO CC(C)c1noc([C@H](C)[NH2+]CCNC(=O)C#CC2CC2)n1 ZINC001126885466 909541634 /nfs/dbraw/zinc/54/16/34/909541634.db2.gz GUIGQIMUBYVLKK-NSHDSACASA-N 1 2 290.367 1.373 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cscc2Cl)[C@@H](O)C1 ZINC001083549647 909897025 /nfs/dbraw/zinc/89/70/25/909897025.db2.gz TVJCBKXQECSWFP-NEPJUHHUSA-N 1 2 298.795 1.200 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cscc2Cl)[C@@H](O)C1 ZINC001083549647 909897031 /nfs/dbraw/zinc/89/70/31/909897031.db2.gz TVJCBKXQECSWFP-NEPJUHHUSA-N 1 2 298.795 1.200 20 30 CDEDLO Cc1nc(NCCCNC(=O)C#CC2CC2)cc[nH+]1 ZINC001094400157 910581741 /nfs/dbraw/zinc/58/17/41/910581741.db2.gz NJKVKDJWFHAPON-UHFFFAOYSA-N 1 2 258.325 1.117 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCCN2c1cc[nH+]c(OC)c1 ZINC001273585529 921597580 /nfs/dbraw/zinc/59/75/80/921597580.db2.gz QQOCDFOHMLPFLP-QGZVFWFLSA-N 1 2 299.374 1.685 20 30 CDEDLO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)CCCC#N)[C@H](C(=O)OC)C1 ZINC001172504700 911737249 /nfs/dbraw/zinc/73/72/49/911737249.db2.gz IDKFYMWKRTUGAT-XQQFMLRXSA-N 1 2 296.367 1.495 20 30 CDEDLO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)CCCC#N)[C@H](C(=O)OC)C1 ZINC001172504700 911737253 /nfs/dbraw/zinc/73/72/53/911737253.db2.gz IDKFYMWKRTUGAT-XQQFMLRXSA-N 1 2 296.367 1.495 20 30 CDEDLO C=C[C@H](O)C[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C1 ZINC001253585737 935270226 /nfs/dbraw/zinc/27/02/26/935270226.db2.gz ZTXQCEHZAGOVEY-GARJFASQSA-N 1 2 274.336 1.080 20 30 CDEDLO C=C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C1 ZINC001253585737 935270229 /nfs/dbraw/zinc/27/02/29/935270229.db2.gz ZTXQCEHZAGOVEY-GARJFASQSA-N 1 2 274.336 1.080 20 30 CDEDLO C=CCOCCCC(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001125248253 936358783 /nfs/dbraw/zinc/35/87/83/936358783.db2.gz RNKOTTAVCMQXTG-UHFFFAOYSA-N 1 2 295.383 1.480 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2cccc(C#N)c2)CC1 ZINC001182338341 917791537 /nfs/dbraw/zinc/79/15/37/917791537.db2.gz IVOJOOGXEQEPCE-UHFFFAOYSA-N 1 2 283.375 1.821 20 30 CDEDLO Cc1nc(NC/C=C/CNC(=O)C#CC2CC2)cc[nH+]1 ZINC001107158729 918229153 /nfs/dbraw/zinc/22/91/53/918229153.db2.gz XVEMHJLGIMTRID-NSCUHMNNSA-N 1 2 270.336 1.283 20 30 CDEDLO C=CCC[C@@H](C)[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127730973 918241618 /nfs/dbraw/zinc/24/16/18/918241618.db2.gz BVYVLKSREIJLDL-BDAKNGLRSA-N 1 2 270.270 1.947 20 30 CDEDLO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H](F)C(F)(F)F ZINC001127730973 918241630 /nfs/dbraw/zinc/24/16/30/918241630.db2.gz BVYVLKSREIJLDL-BDAKNGLRSA-N 1 2 270.270 1.947 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(Cl)o2)C1 ZINC001107739498 918718092 /nfs/dbraw/zinc/71/80/92/918718092.db2.gz MDMLZMKEXFETMQ-AWEZNQCLSA-N 1 2 298.770 1.940 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(Cl)o2)C1 ZINC001107739498 918718096 /nfs/dbraw/zinc/71/80/96/918718096.db2.gz MDMLZMKEXFETMQ-AWEZNQCLSA-N 1 2 298.770 1.940 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cccn2C)C1 ZINC001107747171 918727844 /nfs/dbraw/zinc/72/78/44/918727844.db2.gz SEUAARGEFPCBFG-HNNXBMFYSA-N 1 2 277.368 1.032 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cccn2C)C1 ZINC001107747171 918727848 /nfs/dbraw/zinc/72/78/48/918727848.db2.gz SEUAARGEFPCBFG-HNNXBMFYSA-N 1 2 277.368 1.032 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCOCC)C1 ZINC001107760983 918745236 /nfs/dbraw/zinc/74/52/36/918745236.db2.gz JGHCKYTUSJTDJZ-MRXNPFEDSA-N 1 2 296.411 1.034 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCCOCC)C1 ZINC001107760983 918745237 /nfs/dbraw/zinc/74/52/37/918745237.db2.gz JGHCKYTUSJTDJZ-MRXNPFEDSA-N 1 2 296.411 1.034 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)CCC)C1 ZINC001107822586 918833188 /nfs/dbraw/zinc/83/31/88/918833188.db2.gz AHCRCOLAPJFWHT-UKRRQHHQSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)CCC)C1 ZINC001107822586 918833203 /nfs/dbraw/zinc/83/32/03/918833203.db2.gz AHCRCOLAPJFWHT-UKRRQHHQSA-N 1 2 268.401 1.816 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)C2CC2)C1 ZINC001107848538 918874140 /nfs/dbraw/zinc/87/41/40/918874140.db2.gz QEGTXWSIYFZHSB-XJKSGUPXSA-N 1 2 278.396 1.263 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)C2CC2)C1 ZINC001107848538 918874156 /nfs/dbraw/zinc/87/41/56/918874156.db2.gz QEGTXWSIYFZHSB-XJKSGUPXSA-N 1 2 278.396 1.263 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc[nH]c2C)C1 ZINC001107853689 918890767 /nfs/dbraw/zinc/89/07/67/918890767.db2.gz UGVPTJKIAKTPJT-MRXNPFEDSA-N 1 2 289.379 1.167 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc[nH]c2C)C1 ZINC001107853689 918890780 /nfs/dbraw/zinc/89/07/80/918890780.db2.gz 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ZINC001110365891 919691572 /nfs/dbraw/zinc/69/15/72/919691572.db2.gz CIAZMBCJUZGADW-DGAVXFQQSA-N 1 2 284.375 1.659 20 30 CDEDLO C=CCn1cc(C[N@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)cn1 ZINC001139768625 936645151 /nfs/dbraw/zinc/64/51/51/936645151.db2.gz RHEOVWPGSSYMDK-NWANDNLSSA-N 1 2 277.368 1.041 20 30 CDEDLO C=CCn1cc(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)cn1 ZINC001139768625 936645152 /nfs/dbraw/zinc/64/51/52/936645152.db2.gz RHEOVWPGSSYMDK-NWANDNLSSA-N 1 2 277.368 1.041 20 30 CDEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3C[C@@H]3C)c2C1 ZINC001069852518 936645299 /nfs/dbraw/zinc/64/52/99/936645299.db2.gz VEKLMUWXQOOXCH-GXTWGEPZSA-N 1 2 288.395 1.547 20 30 CDEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3C[C@@H]3C)c2C1 ZINC001069852518 936645300 /nfs/dbraw/zinc/64/53/00/936645300.db2.gz VEKLMUWXQOOXCH-GXTWGEPZSA-N 1 2 288.395 1.547 20 30 CDEDLO N#Cc1cc(F)cc(C[NH+]2CCN(c3cccnn3)CC2)c1 ZINC001139875649 936655320 /nfs/dbraw/zinc/65/53/20/936655320.db2.gz XYZBSRPFMHKEMO-UHFFFAOYSA-N 1 2 297.337 1.810 20 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NKJXKPKNLOSQHA-NVXWUHKLSA-N 1 2 292.423 1.819 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(C)CC=CC2)C1 ZINC001108184692 923922496 /nfs/dbraw/zinc/92/24/96/923922496.db2.gz VWIJTYFPGDZAAT-KRWDZBQOSA-N 1 2 290.407 1.573 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(C)CC=CC2)C1 ZINC001108184692 923922506 /nfs/dbraw/zinc/92/25/06/923922506.db2.gz VWIJTYFPGDZAAT-KRWDZBQOSA-N 1 2 290.407 1.573 20 30 CDEDLO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC001193949192 924007928 /nfs/dbraw/zinc/00/79/28/924007928.db2.gz DSHLILLTUQUJPZ-CYBMUJFWSA-N 1 2 297.362 1.128 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC001193949192 924007940 /nfs/dbraw/zinc/00/79/40/924007940.db2.gz DSHLILLTUQUJPZ-CYBMUJFWSA-N 1 2 297.362 1.128 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(C(F)(F)F)nn2)CC1 ZINC001141498770 936885229 /nfs/dbraw/zinc/88/52/29/936885229.db2.gz FSXYKHQJJIRYLN-UHFFFAOYSA-N 1 2 284.285 1.246 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C3CC3)CC2)[C@@H](O)C1 ZINC001090347463 924115169 /nfs/dbraw/zinc/11/51/69/924115169.db2.gz RLGKRRJUBUFKPJ-OLZOCXBDSA-N 1 2 298.814 1.481 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C3CC3)CC2)[C@@H](O)C1 ZINC001090347463 924115173 /nfs/dbraw/zinc/11/51/73/924115173.db2.gz RLGKRRJUBUFKPJ-OLZOCXBDSA-N 1 2 298.814 1.481 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccon2)C1 ZINC001194397251 924202112 /nfs/dbraw/zinc/20/21/12/924202112.db2.gz RKACOBZIVZROER-GXTWGEPZSA-N 1 2 293.367 1.298 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccon2)C1 ZINC001194397251 924202126 /nfs/dbraw/zinc/20/21/26/924202126.db2.gz RKACOBZIVZROER-GXTWGEPZSA-N 1 2 293.367 1.298 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccn2C)C1 ZINC001079431619 924315002 /nfs/dbraw/zinc/31/50/02/924315002.db2.gz XPLPJFCBMBRKGN-ZYHUDNBSSA-N 1 2 281.787 1.828 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccn2C)C1 ZINC001079431619 924315007 /nfs/dbraw/zinc/31/50/07/924315007.db2.gz XPLPJFCBMBRKGN-ZYHUDNBSSA-N 1 2 281.787 1.828 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N1CCC[N@H+](CCF)CC1 ZINC001195174546 924494428 /nfs/dbraw/zinc/49/44/28/924494428.db2.gz OTEJONXNOMZCAP-ZDUSSCGKSA-N 1 2 272.364 1.471 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC001195174546 924494433 /nfs/dbraw/zinc/49/44/33/924494433.db2.gz OTEJONXNOMZCAP-ZDUSSCGKSA-N 1 2 272.364 1.471 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001080924958 924659728 /nfs/dbraw/zinc/65/97/28/924659728.db2.gz YIYKINUWMXBXSU-IAQYHMDHSA-N 1 2 299.378 1.584 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001080924958 924659733 /nfs/dbraw/zinc/65/97/33/924659733.db2.gz YIYKINUWMXBXSU-IAQYHMDHSA-N 1 2 299.378 1.584 20 30 CDEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2cc(C)co2)CC1 ZINC001196829720 924990980 /nfs/dbraw/zinc/99/09/80/924990980.db2.gz HXDSBXZUWBBRRF-UHFFFAOYSA-N 1 2 290.363 1.386 20 30 CDEDLO COCC#CC[N@H+]1CCCN(C(=O)c2cc(C)co2)CC1 ZINC001196829720 924990986 /nfs/dbraw/zinc/99/09/86/924990986.db2.gz HXDSBXZUWBBRRF-UHFFFAOYSA-N 1 2 290.363 1.386 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC3CCCC3)[C@H]2C1 ZINC001082986633 925061676 /nfs/dbraw/zinc/06/16/76/925061676.db2.gz MKZBSWJEXWTZGS-LSDHHAIUSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC3CCCC3)[C@H]2C1 ZINC001082986633 925061685 /nfs/dbraw/zinc/06/16/85/925061685.db2.gz MKZBSWJEXWTZGS-LSDHHAIUSA-N 1 2 276.380 1.112 20 30 CDEDLO CC[N@H+](Cc1nc(C)oc1C)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152414258 925342925 /nfs/dbraw/zinc/34/29/25/925342925.db2.gz YFEBNRKOELKWNL-WDEREUQCSA-N 1 2 292.383 1.778 20 30 CDEDLO CC[N@@H+](Cc1nc(C)oc1C)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152414258 925342934 /nfs/dbraw/zinc/34/29/34/925342934.db2.gz YFEBNRKOELKWNL-WDEREUQCSA-N 1 2 292.383 1.778 20 30 CDEDLO COCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001230539172 925496791 /nfs/dbraw/zinc/49/67/91/925496791.db2.gz RTCAWKCFBLXSCB-LLVKDONJSA-N 1 2 293.392 1.299 20 30 CDEDLO COCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001230539172 925496797 /nfs/dbraw/zinc/49/67/97/925496797.db2.gz RTCAWKCFBLXSCB-LLVKDONJSA-N 1 2 293.392 1.299 20 30 CDEDLO CN(CCNc1ncccc1C#N)C(=O)CCn1cc[nH+]c1 ZINC001101889102 937023688 /nfs/dbraw/zinc/02/36/88/937023688.db2.gz IGXQEEVIJUWZET-UHFFFAOYSA-N 1 2 298.350 1.110 20 30 CDEDLO C=C(C)C(=O)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001142509729 937025183 /nfs/dbraw/zinc/02/51/83/937025183.db2.gz JWAJFOAOIPKAIP-CQSZACIVSA-N 1 2 289.379 1.844 20 30 CDEDLO C=C(C)c1cc(N2CCOCC2)nc(N2CCOCC2)[nH+]1 ZINC001240832541 925999968 /nfs/dbraw/zinc/99/99/68/925999968.db2.gz ZGOPNZSWWOPKPV-UHFFFAOYSA-N 1 2 290.367 1.183 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(F)cc1 ZINC001085455335 926001599 /nfs/dbraw/zinc/00/15/99/926001599.db2.gz HUUCXRFNQBNICY-AWEZNQCLSA-N 1 2 260.312 1.605 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(F)cc1 ZINC001085455335 926001609 /nfs/dbraw/zinc/00/16/09/926001609.db2.gz HUUCXRFNQBNICY-AWEZNQCLSA-N 1 2 260.312 1.605 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C)o1 ZINC001085469062 926028938 /nfs/dbraw/zinc/02/89/38/926028938.db2.gz HNTLMNRPKJFWIK-ZDUSSCGKSA-N 1 2 260.337 1.758 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C)o1 ZINC001085469062 926028947 /nfs/dbraw/zinc/02/89/47/926028947.db2.gz HNTLMNRPKJFWIK-ZDUSSCGKSA-N 1 2 260.337 1.758 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cncc(F)c1 ZINC001085544563 926133207 /nfs/dbraw/zinc/13/32/07/926133207.db2.gz SVWMDSKWXHKCSK-CQSZACIVSA-N 1 2 275.327 1.390 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cncc(F)c1 ZINC001085544563 926133208 /nfs/dbraw/zinc/13/32/08/926133208.db2.gz SVWMDSKWXHKCSK-CQSZACIVSA-N 1 2 275.327 1.390 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(F)cccc1OC ZINC001085611150 926214442 /nfs/dbraw/zinc/21/44/42/926214442.db2.gz KHEOFSAMXTUGOK-GFCCVEGCSA-N 1 2 290.338 1.614 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(F)cccc1OC ZINC001085611150 926214451 /nfs/dbraw/zinc/21/44/51/926214451.db2.gz KHEOFSAMXTUGOK-GFCCVEGCSA-N 1 2 290.338 1.614 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2occc2[nH]1 ZINC001085625321 926226326 /nfs/dbraw/zinc/22/63/26/926226326.db2.gz MUVSQNQFLWWROW-LLVKDONJSA-N 1 2 271.320 1.540 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2occc2[nH]1 ZINC001085625321 926226328 /nfs/dbraw/zinc/22/63/28/926226328.db2.gz MUVSQNQFLWWROW-LLVKDONJSA-N 1 2 271.320 1.540 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cncc(OC)c1C ZINC001085672335 926271506 /nfs/dbraw/zinc/27/15/06/926271506.db2.gz VQHGKJPDDLMZSC-ZDUSSCGKSA-N 1 2 287.363 1.178 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cncc(OC)c1C ZINC001085672335 926271512 /nfs/dbraw/zinc/27/15/12/926271512.db2.gz VQHGKJPDDLMZSC-ZDUSSCGKSA-N 1 2 287.363 1.178 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2ccccc2O1 ZINC001085877121 926470756 /nfs/dbraw/zinc/47/07/56/926470756.db2.gz SLACKUJYUBBXFG-WBVHZDCISA-N 1 2 298.386 1.546 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2ccccc2O1 ZINC001085877121 926470761 /nfs/dbraw/zinc/47/07/61/926470761.db2.gz SLACKUJYUBBXFG-WBVHZDCISA-N 1 2 298.386 1.546 20 30 CDEDLO N#Cc1ccc2c(C[N@H+]3CC(=O)N4CCC[C@H]4C3)c[nH]c2c1 ZINC001142922823 937094249 /nfs/dbraw/zinc/09/42/49/937094249.db2.gz XJZNADZNMYHAJY-AWEZNQCLSA-N 1 2 294.358 1.846 20 30 CDEDLO N#Cc1ccc2c(C[N@@H+]3CC(=O)N4CCC[C@H]4C3)c[nH]c2c1 ZINC001142922823 937094251 /nfs/dbraw/zinc/09/42/51/937094251.db2.gz XJZNADZNMYHAJY-AWEZNQCLSA-N 1 2 294.358 1.846 20 30 CDEDLO N#CC1(C(=O)N2CC[NH+](CCc3ccncc3)CC2)CC1 ZINC001143174035 937129270 /nfs/dbraw/zinc/12/92/70/937129270.db2.gz MGDMKSYQCJSPMR-UHFFFAOYSA-N 1 2 284.363 1.072 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)CCOC)C1 ZINC001108409656 927526167 /nfs/dbraw/zinc/52/61/67/927526167.db2.gz YVBCIPQJANZCHS-ZFWWWQNUSA-N 1 2 284.400 1.052 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)CCOC)C1 ZINC001108409656 927526177 /nfs/dbraw/zinc/52/61/77/927526177.db2.gz YVBCIPQJANZCHS-ZFWWWQNUSA-N 1 2 284.400 1.052 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3ocnc3c2)CC1 ZINC001149381769 937174883 /nfs/dbraw/zinc/17/48/83/937174883.db2.gz PPRXNDQDPUVFGA-UHFFFAOYSA-N 1 2 271.320 1.772 20 30 CDEDLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)CNc1ccc(C#N)cn1 ZINC001104052530 937186702 /nfs/dbraw/zinc/18/67/02/937186702.db2.gz CKFSFCCELPFWAQ-NSHDSACASA-N 1 2 298.350 1.083 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc3cccnc3nc2C)CC1 ZINC001149555249 937190536 /nfs/dbraw/zinc/19/05/36/937190536.db2.gz GZXZERDNCMWMLR-UHFFFAOYSA-N 1 2 296.374 1.882 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H](C)CNc2cc[nH+]c(C)n2)nc1 ZINC001108457603 927940645 /nfs/dbraw/zinc/94/06/45/927940645.db2.gz KPVLTRPYISZWJI-NSHDSACASA-N 1 2 295.346 1.392 20 30 CDEDLO COc1ccc(C(=NO)Nc2cc[nH+]c(C)c2F)nc1 ZINC001169608871 928225643 /nfs/dbraw/zinc/22/56/43/928225643.db2.gz WZFWMOPHUZCNAV-UHFFFAOYSA-N 1 2 276.271 1.603 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)OCC)C2 ZINC001108970424 928749560 /nfs/dbraw/zinc/74/95/60/928749560.db2.gz XFZNJSNTIZUZLB-NDBYEHHHSA-N 1 2 286.803 1.885 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)OCC)C2 ZINC001108970424 928749564 /nfs/dbraw/zinc/74/95/64/928749564.db2.gz XFZNJSNTIZUZLB-NDBYEHHHSA-N 1 2 286.803 1.885 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c(C)nc3c(C)cccn32)CC1 ZINC001151217233 937275300 /nfs/dbraw/zinc/27/53/00/937275300.db2.gz JVJTUBODPRCTLX-UHFFFAOYSA-N 1 2 298.390 1.895 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)C(C)(C)F)CC1 ZINC001112595860 929217749 /nfs/dbraw/zinc/21/77/49/929217749.db2.gz YKIITFZFVACAEO-UHFFFAOYSA-N 1 2 258.337 1.081 20 30 CDEDLO CC(C)COCC[NH+]1CCN(C(=O)CSCC#N)CC1 ZINC001112629858 929268574 /nfs/dbraw/zinc/26/85/74/929268574.db2.gz DDXLRMJOSYIKSW-UHFFFAOYSA-N 1 2 299.440 1.060 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](CCOCC(C)C)CC1 ZINC001112814197 929455306 /nfs/dbraw/zinc/45/53/06/929455306.db2.gz JOYQDRNBOZTPIQ-MRXNPFEDSA-N 1 2 298.427 1.130 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](OCC)C(C)C)CC1 ZINC001112839677 929486101 /nfs/dbraw/zinc/48/61/01/929486101.db2.gz RLGOXBRGHXBSSP-ZDUSSCGKSA-N 1 2 254.374 1.378 20 30 CDEDLO CCn1ccnc1C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152450038 937363134 /nfs/dbraw/zinc/36/31/34/937363134.db2.gz QCPBMWVPRNSCNI-CHWSQXEVSA-N 1 2 291.399 1.389 20 30 CDEDLO CCn1ccnc1C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152450038 937363135 /nfs/dbraw/zinc/36/31/35/937363135.db2.gz QCPBMWVPRNSCNI-CHWSQXEVSA-N 1 2 291.399 1.389 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnc(OC)c(C)c2)CC1 ZINC001137007841 931496873 /nfs/dbraw/zinc/49/68/73/931496873.db2.gz MRSFEOUSVMUOAW-UHFFFAOYSA-N 1 2 259.353 1.149 20 30 CDEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001274856286 931594065 /nfs/dbraw/zinc/59/40/65/931594065.db2.gz XYVSUQGFWGQMNF-CQSZACIVSA-N 1 2 298.390 1.791 20 30 CDEDLO C=CC[C@H](C)C(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001144018570 931627655 /nfs/dbraw/zinc/62/76/55/931627655.db2.gz RWPMIGVYDHHPLG-HNNXBMFYSA-N 1 2 287.407 1.981 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CC(=O)N3CCC[C@H]3C2)cc1 ZINC001144576124 931909082 /nfs/dbraw/zinc/90/90/82/931909082.db2.gz BAFZIOJHCCLBTM-HNNXBMFYSA-N 1 2 254.333 1.475 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CC(=O)N3CCC[C@H]3C2)cc1 ZINC001144576124 931909087 /nfs/dbraw/zinc/90/90/87/931909087.db2.gz BAFZIOJHCCLBTM-HNNXBMFYSA-N 1 2 254.333 1.475 20 30 CDEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC(=O)N[C@@H](C)C1 ZINC001171203754 931943136 /nfs/dbraw/zinc/94/31/36/931943136.db2.gz PSGWSDMEUBAEPL-NWDGAFQWSA-N 1 2 257.337 1.310 20 30 CDEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC001171203754 931943143 /nfs/dbraw/zinc/94/31/43/931943143.db2.gz PSGWSDMEUBAEPL-NWDGAFQWSA-N 1 2 257.337 1.310 20 30 CDEDLO C#CCCCC(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091337078 932099614 /nfs/dbraw/zinc/09/96/14/932099614.db2.gz NYBMHCANPPQSPD-OKILXGFUSA-N 1 2 286.379 1.895 20 30 CDEDLO C#Cc1cc(Nc2ccc(CC(=O)OC)cc2)cc[nH+]1 ZINC001212615194 932197248 /nfs/dbraw/zinc/19/72/48/932197248.db2.gz LVHDCTFOUMLWIH-UHFFFAOYSA-N 1 2 266.300 1.944 20 30 CDEDLO N#Cc1sccc1C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001412438543 932430860 /nfs/dbraw/zinc/43/08/60/932430860.db2.gz SVHRXUHHSUJSED-UHFFFAOYSA-N 1 2 284.344 1.795 20 30 CDEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCOCC34CC4)c12 ZINC001155840564 937680346 /nfs/dbraw/zinc/68/03/46/937680346.db2.gz SJGALFYYEOYLBK-UHFFFAOYSA-N 1 2 254.293 1.804 20 30 CDEDLO C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001114728008 934943014 /nfs/dbraw/zinc/94/30/14/934943014.db2.gz BBVHIUQIEAETKU-PBOSXPJTSA-N 1 2 290.367 1.218 20 30 CDEDLO C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001114728008 934943019 /nfs/dbraw/zinc/94/30/19/934943019.db2.gz BBVHIUQIEAETKU-PBOSXPJTSA-N 1 2 290.367 1.218 20 30 CDEDLO CCOC[C@H]1C[N@H+](C[C@H](O)c2cccc(C#N)c2)CCO1 ZINC001413039489 935192823 /nfs/dbraw/zinc/19/28/23/935192823.db2.gz AXVHUXRJNRQRAY-CVEARBPZSA-N 1 2 290.363 1.329 20 30 CDEDLO CCOC[C@H]1C[N@@H+](C[C@H](O)c2cccc(C#N)c2)CCO1 ZINC001413039489 935192826 /nfs/dbraw/zinc/19/28/26/935192826.db2.gz AXVHUXRJNRQRAY-CVEARBPZSA-N 1 2 290.363 1.329 20 30 CDEDLO Cc1nc(N[C@@H]2C[C@H](C)N(C(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001123225472 936128917 /nfs/dbraw/zinc/12/89/17/936128917.db2.gz YJASAGPJOSNBOR-GXTWGEPZSA-N 1 2 286.379 1.846 20 30 CDEDLO Cc1nc(N[C@H]2CCN(C(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001096935317 936240658 /nfs/dbraw/zinc/24/06/58/936240658.db2.gz DLOCVAJDKGLPJS-ZDUSSCGKSA-N 1 2 272.352 1.457 20 30 CDEDLO Cc1nc(N[C@H]2C[C@H](NC(=O)CSCC#N)C2)cc[nH+]1 ZINC001096992824 936250061 /nfs/dbraw/zinc/25/00/61/936250061.db2.gz CCFPENDVIHKJKG-XYPYZODXSA-N 1 2 291.380 1.101 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1cc2nccc(Cl)c2cn1 ZINC001156320158 938351079 /nfs/dbraw/zinc/35/10/79/938351079.db2.gz SLWKFKRCJZCYCE-VIFPVBQESA-N 1 2 273.727 1.585 20 30 CDEDLO Cc1cc(Cl)nc(C(F)(F)N2CC[NH2+]C[C@@H]2C#N)n1 ZINC001156321178 938351377 /nfs/dbraw/zinc/35/13/77/938351377.db2.gz SOTQAXCOFCBDSW-QMMMGPOBSA-N 1 2 287.701 1.285 20 30 CDEDLO N#C[C@@H]1CCCN(C(=O)c2ccc3[nH+]c(N)[nH]c3c2)C1 ZINC001156969700 938440729 /nfs/dbraw/zinc/44/07/29/938440729.db2.gz IOROQBIHTTVZOC-VIFPVBQESA-N 1 2 269.308 1.521 20 30 CDEDLO CC(C)[NH+]1CC(Nc2nc(C#N)ccc2[N+](=O)[O-])C1 ZINC001157530941 938505430 /nfs/dbraw/zinc/50/54/30/938505430.db2.gz IYWGCRRUOUCSDR-UHFFFAOYSA-N 1 2 261.285 1.366 20 30 CDEDLO O=C(NCCC[NH2+]CCC(F)(F)F)C(F)C(F)(F)F ZINC001158462536 938627569 /nfs/dbraw/zinc/62/75/69/938627569.db2.gz CXRIRYHZGOYLII-LURJTMIESA-N 1 2 298.202 1.935 20 30 CDEDLO O=C(NCCC[NH2+]CCC(F)(F)F)[C@H](F)C(F)(F)F ZINC001158462536 938627571 /nfs/dbraw/zinc/62/75/71/938627571.db2.gz CXRIRYHZGOYLII-LURJTMIESA-N 1 2 298.202 1.935 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1CN(C)CC#N ZINC001158794567 938664225 /nfs/dbraw/zinc/66/42/25/938664225.db2.gz TYOYSGDSKBKYAT-CYBMUJFWSA-N 1 2 289.383 1.097 20 30 CDEDLO C=C(C)CCC(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001159015271 938690616 /nfs/dbraw/zinc/69/06/16/938690616.db2.gz XBIULIQRXXPJKQ-UHFFFAOYSA-N 1 2 280.372 1.584 20 30 CDEDLO C#CCOCCOCCNc1[nH+]cc(OC)cc1C ZINC001160673201 938812065 /nfs/dbraw/zinc/81/20/65/938812065.db2.gz BURAAJRZLAPWAS-UHFFFAOYSA-N 1 2 264.325 1.477 20 30 CDEDLO C#CCCN1CCC[C@@H](Nc2ccc(Cl)c(N)[nH+]2)C1=O ZINC001160900926 938840918 /nfs/dbraw/zinc/84/09/18/938840918.db2.gz NRUBTZRHKYNLGE-LLVKDONJSA-N 1 2 292.770 1.743 20 30 CDEDLO Cc1noc(C2(Nc3cc(CC#N)cc[nH+]3)CC2)n1 ZINC001161311001 938886882 /nfs/dbraw/zinc/88/68/82/938886882.db2.gz DGDRZQVOONCSDB-UHFFFAOYSA-N 1 2 255.281 1.940 20 30 CDEDLO N#CCc1cncc(NCc2ccc3[nH+]ccn3c2)n1 ZINC001163139580 939211111 /nfs/dbraw/zinc/21/11/11/939211111.db2.gz RFOQJFJCFMWJPJ-UHFFFAOYSA-N 1 2 264.292 1.802 20 30 CDEDLO Cc1cc(N(C(N)=[NH2+])c2ncc(C)cc2/C=N/O)n[nH]1 ZINC001163510590 939279360 /nfs/dbraw/zinc/27/93/60/939279360.db2.gz ZNVBQKCGYCIXAP-OMCISZLKSA-N 1 2 273.300 1.261 20 30 CDEDLO N#Cc1cc2c(nc1N1CC[NH2+]CC(F)(F)C1)CCCC2 ZINC001164497029 939479597 /nfs/dbraw/zinc/47/95/97/939479597.db2.gz AMYXXKGYWKIIGR-UHFFFAOYSA-N 1 2 292.333 1.877 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1ccnc(Cl)c1 ZINC001164624443 939499900 /nfs/dbraw/zinc/49/99/00/939499900.db2.gz CYRJCORZXPZSEI-SECBINFHSA-N 1 2 272.686 1.582 20 30 CDEDLO N#Cc1ccc(C(F)(F)N2CC[NH2+]C[C@H]2C#N)nc1Cl ZINC001164641074 939500978 /nfs/dbraw/zinc/50/09/78/939500978.db2.gz FPLWFSFGHDXBHR-SECBINFHSA-N 1 2 297.696 1.453 20 30 CDEDLO Cc1nc(N2CC([N@@H+]3CCOC(C)(C)C3)C2)ccc1C#N ZINC001165130331 939515529 /nfs/dbraw/zinc/51/55/29/939515529.db2.gz DNJPAPBJRMQAMB-UHFFFAOYSA-N 1 2 286.379 1.561 20 30 CDEDLO Cc1nc(N2CC([N@H+]3CCOC(C)(C)C3)C2)ccc1C#N ZINC001165130331 939515530 /nfs/dbraw/zinc/51/55/30/939515530.db2.gz DNJPAPBJRMQAMB-UHFFFAOYSA-N 1 2 286.379 1.561 20 30 CDEDLO COC(=O)[C@H]1C[N@H+](Cc2ccccc2C#N)CCCO1 ZINC001204372712 939761828 /nfs/dbraw/zinc/76/18/28/939761828.db2.gz GRTJCFMPABUQQN-CQSZACIVSA-N 1 2 274.320 1.322 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccccc2C#N)CCCO1 ZINC001204372712 939761832 /nfs/dbraw/zinc/76/18/32/939761832.db2.gz GRTJCFMPABUQQN-CQSZACIVSA-N 1 2 274.320 1.322 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc(C)ccn2)CC1 ZINC001206853400 940101528 /nfs/dbraw/zinc/10/15/28/940101528.db2.gz RTZHYFDOSKDBHV-UHFFFAOYSA-N 1 2 273.336 1.669 20 30 CDEDLO C#CC[NH+](CC#C)CCc1c(Cl)ncnc1Cl ZINC001207332809 940181213 /nfs/dbraw/zinc/18/12/13/940181213.db2.gz YNLHRDOBHMAPHK-UHFFFAOYSA-N 1 2 268.147 1.894 20 30 CDEDLO C#Cc1cc(Nc2cnn(CC(=O)OC(C)(C)C)c2)cc[nH+]1 ZINC001210827987 940716116 /nfs/dbraw/zinc/71/61/16/940716116.db2.gz NUDQVPVOTXBXOL-UHFFFAOYSA-N 1 2 298.346 1.767 20 30 CDEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnsn2)C1 ZINC001214741447 940837961 /nfs/dbraw/zinc/83/79/61/940837961.db2.gz LUJCLKUBDPHQHH-DGCLKSJQSA-N 1 2 294.424 1.831 20 30 CDEDLO CC(C)Oc1ncc([NH+]=C(NO)c2ccccc2N)cn1 ZINC001216621225 940954945 /nfs/dbraw/zinc/95/49/45/940954945.db2.gz NLBDZWGBJDBXFF-UHFFFAOYSA-N 1 2 287.323 1.903 20 30 CDEDLO CC(C)=CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001219141497 941312556 /nfs/dbraw/zinc/31/25/56/941312556.db2.gz YCTIGIGAKCAVIB-SJORKVTESA-N 1 2 298.386 1.166 20 30 CDEDLO CC(C)=CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001219141497 941312559 /nfs/dbraw/zinc/31/25/59/941312559.db2.gz YCTIGIGAKCAVIB-SJORKVTESA-N 1 2 298.386 1.166 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)CC(C)(C)C)[C@@H](O)C1 ZINC001221038607 941494397 /nfs/dbraw/zinc/49/43/97/941494397.db2.gz YAJVWLIJFRHEGB-OLZOCXBDSA-N 1 2 280.412 1.243 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)CC(C)(C)C)[C@@H](O)C1 ZINC001221038607 941494400 /nfs/dbraw/zinc/49/44/00/941494400.db2.gz YAJVWLIJFRHEGB-OLZOCXBDSA-N 1 2 280.412 1.243 20 30 CDEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](Cc3nocc3C)C[C@H]21 ZINC001221428983 941534272 /nfs/dbraw/zinc/53/42/72/941534272.db2.gz BTISLVHFBUKUNR-UKRRQHHQSA-N 1 2 289.379 1.982 20 30 CDEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](Cc3nocc3C)C[C@H]21 ZINC001221428983 941534274 /nfs/dbraw/zinc/53/42/74/941534274.db2.gz BTISLVHFBUKUNR-UKRRQHHQSA-N 1 2 289.379 1.982 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2ccc(F)c(C#N)c2)C1 ZINC001225820929 941916971 /nfs/dbraw/zinc/91/69/71/941916971.db2.gz UFFPTSFUFZXLGY-GFCCVEGCSA-N 1 2 250.273 1.407 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2ccc(F)c(C#N)c2)C1 ZINC001225820929 941916973 /nfs/dbraw/zinc/91/69/73/941916973.db2.gz UFFPTSFUFZXLGY-GFCCVEGCSA-N 1 2 250.273 1.407 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3noc4ccc(F)cc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227998054 942254740 /nfs/dbraw/zinc/25/47/40/942254740.db2.gz SIRDTXHAXMFEMJ-LSVRBPJHSA-N 1 2 290.294 1.958 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3noc4ccc(F)cc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227998054 942254743 /nfs/dbraw/zinc/25/47/43/942254743.db2.gz SIRDTXHAXMFEMJ-LSVRBPJHSA-N 1 2 290.294 1.958 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(F)cc(C#N)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229034489 942410461 /nfs/dbraw/zinc/41/04/61/942410461.db2.gz FSUXMPORRMCBLD-ABWMFPBJSA-N 1 2 274.295 1.689 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(F)cc(C#N)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229034489 942410462 /nfs/dbraw/zinc/41/04/62/942410462.db2.gz FSUXMPORRMCBLD-ABWMFPBJSA-N 1 2 274.295 1.689 20 30 CDEDLO C=C[C@@H](Oc1ccc(-n2cc[nH+]c2)cc1)C(=O)OC ZINC001229954003 942555930 /nfs/dbraw/zinc/55/59/30/942555930.db2.gz HJDKSDQXIZLNLE-CYBMUJFWSA-N 1 2 258.277 1.979 20 30 CDEDLO Cc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c(F)n1 ZINC001230712865 942682035 /nfs/dbraw/zinc/68/20/35/942682035.db2.gz MSDVGKOZWXXDRE-NJFCNUMCSA-N 1 2 264.300 1.520 20 30 CDEDLO Cc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c(F)n1 ZINC001230712865 942682042 /nfs/dbraw/zinc/68/20/42/942682042.db2.gz MSDVGKOZWXXDRE-NJFCNUMCSA-N 1 2 264.300 1.520 20 30 CDEDLO C=CCOC(=O)N1CC[NH+](Cc2nc(C)ccc2O)CC1 ZINC001231675690 942974006 /nfs/dbraw/zinc/97/40/06/942974006.db2.gz WMWBWHWFJYKEIF-UHFFFAOYSA-N 1 2 291.351 1.536 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)n1 ZINC001232924815 943435094 /nfs/dbraw/zinc/43/50/94/943435094.db2.gz VFERAYWQONRWTI-MRXNPFEDSA-N 1 2 298.390 1.930 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)n1 ZINC001232924815 943435095 /nfs/dbraw/zinc/43/50/95/943435095.db2.gz VFERAYWQONRWTI-MRXNPFEDSA-N 1 2 298.390 1.930 20 30 CDEDLO Cc1ccc(C[NH+]2CC(C(=O)N(C)C)C2)c(C#N)c1 ZINC001232966219 943447701 /nfs/dbraw/zinc/44/77/01/943447701.db2.gz HTGHIDLZFRXDMO-UHFFFAOYSA-N 1 2 257.337 1.387 20 30 CDEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001233044494 943473347 /nfs/dbraw/zinc/47/33/47/943473347.db2.gz LFSLDFFXSDVKFH-HOTGVXAUSA-N 1 2 298.390 1.862 20 30 CDEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001233044494 943473357 /nfs/dbraw/zinc/47/33/57/943473357.db2.gz LFSLDFFXSDVKFH-HOTGVXAUSA-N 1 2 298.390 1.862 20 30 CDEDLO COC(=O)C1(C)CC[NH+](Cc2[nH]ccc2C#N)CC1 ZINC001233047223 943475025 /nfs/dbraw/zinc/47/50/25/943475025.db2.gz SAARASOBVSWWAT-UHFFFAOYSA-N 1 2 261.325 1.661 20 30 CDEDLO CCc1cc(C)c(C#N)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)n1 ZINC001233556803 943616749 /nfs/dbraw/zinc/61/67/49/943616749.db2.gz STKQTGURZKUDFT-KNMAVKMESA-N 1 2 299.374 1.815 20 30 CDEDLO CCc1cc(C)c(C#N)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)n1 ZINC001233556803 943616752 /nfs/dbraw/zinc/61/67/52/943616752.db2.gz STKQTGURZKUDFT-KNMAVKMESA-N 1 2 299.374 1.815 20 30 CDEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)C(C)C ZINC001234074162 943734017 /nfs/dbraw/zinc/73/40/17/943734017.db2.gz FVILKJMGDWFHNC-UHFFFAOYSA-N 1 2 277.206 1.989 20 30 CDEDLO C=C(Br)C[N@H+](C)CCCNC(=O)C(C)C ZINC001234074162 943734019 /nfs/dbraw/zinc/73/40/19/943734019.db2.gz FVILKJMGDWFHNC-UHFFFAOYSA-N 1 2 277.206 1.989 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C)CC ZINC001234594215 943907886 /nfs/dbraw/zinc/90/78/86/943907886.db2.gz LKISLZBGTCYPAU-CQSZACIVSA-N 1 2 295.427 1.354 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(C)CC ZINC001234594215 943907891 /nfs/dbraw/zinc/90/78/91/943907891.db2.gz LKISLZBGTCYPAU-CQSZACIVSA-N 1 2 295.427 1.354 20 30 CDEDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)CCS1 ZINC001237467956 944799675 /nfs/dbraw/zinc/79/96/75/944799675.db2.gz BPLQPUXIQTXPII-ZDUSSCGKSA-N 1 2 291.376 1.434 20 30 CDEDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)CCS1 ZINC001237467956 944799687 /nfs/dbraw/zinc/79/96/87/944799687.db2.gz BPLQPUXIQTXPII-ZDUSSCGKSA-N 1 2 291.376 1.434 20 30 CDEDLO C[C@@]1(O)COCC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237747528 944944541 /nfs/dbraw/zinc/94/45/41/944944541.db2.gz XMTIXJXOJAXDSZ-AWEZNQCLSA-N 1 2 280.755 1.795 20 30 CDEDLO C[C@@]1(O)COCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237747528 944944544 /nfs/dbraw/zinc/94/45/44/944944544.db2.gz XMTIXJXOJAXDSZ-AWEZNQCLSA-N 1 2 280.755 1.795 20 30 CDEDLO CCCCCCCNC(=O)N1CC[NH2+]C[C@@H]1C(=O)OCC ZINC001239272116 945391179 /nfs/dbraw/zinc/39/11/79/945391179.db2.gz NNNHMKKQUJNDAI-CYBMUJFWSA-N 1 2 299.415 1.503 20 30 CDEDLO N#C[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254603992 947553652 /nfs/dbraw/zinc/55/36/52/947553652.db2.gz ROBYIGHBGGZDPQ-IINYFYTJSA-N 1 2 257.293 1.907 20 30 CDEDLO N#C[C@@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254603992 947553657 /nfs/dbraw/zinc/55/36/57/947553657.db2.gz ROBYIGHBGGZDPQ-IINYFYTJSA-N 1 2 257.293 1.907 20 30 CDEDLO CC[C@H](CC#N)[NH2+]C[C@H](NC(=O)OC(C)(C)C)C(=O)OC ZINC001255154598 947755863 /nfs/dbraw/zinc/75/58/63/947755863.db2.gz JEICKWHPQDZWDQ-MNOVXSKESA-N 1 2 299.371 1.335 20 30 CDEDLO CC[C@@H](CC#N)N1CC[NH+](Cc2ccncc2)CC1 ZINC001255171935 947764278 /nfs/dbraw/zinc/76/42/78/947764278.db2.gz FHWRWNROHROPPQ-HNNXBMFYSA-N 1 2 258.369 1.891 20 30 CDEDLO N#C[C@@H]1CN(C2CC[NH+](Cc3ccncc3)CC2)CCC1=O ZINC001256592618 948356997 /nfs/dbraw/zinc/35/69/97/948356997.db2.gz GYQLWLFOCIPBGD-OAHLLOKOSA-N 1 2 298.390 1.461 20 30 CDEDLO N#CC1CN(C2CC[NH+](Cc3ccncc3)CC2)CCC1=O ZINC001256592618 948357005 /nfs/dbraw/zinc/35/70/05/948357005.db2.gz GYQLWLFOCIPBGD-OAHLLOKOSA-N 1 2 298.390 1.461 20 30 CDEDLO COC(=O)CC1CCC([NH2+][C@@H](CS)C(=O)OC)CC1 ZINC001256975329 948469366 /nfs/dbraw/zinc/46/93/66/948469366.db2.gz PMOHMRUWIDIWCY-ILDUYXDCSA-N 1 2 289.397 1.169 20 30 CDEDLO C=CCOC(=O)C[C@H]([NH2+]C(CC)CC)C(=O)OCC=C ZINC001257292027 948562736 /nfs/dbraw/zinc/56/27/36/948562736.db2.gz SVNIBMXWFWMFQY-ZDUSSCGKSA-N 1 2 283.368 1.982 20 30 CDEDLO N#CCc1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001247385376 948621969 /nfs/dbraw/zinc/62/19/69/948621969.db2.gz GWOVKOMZNCZPOZ-UHFFFAOYSA-N 1 2 251.249 1.988 20 30 CDEDLO CCC#Cc1nnc(CC[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC001258011255 948681933 /nfs/dbraw/zinc/68/19/33/948681933.db2.gz KLKFHUDJKYNWGZ-VXGBXAGGSA-N 1 2 263.341 1.483 20 30 CDEDLO N#Cc1ccn2ncc(C[N@@H+]3CCOC[C@@H]3C3CC3)c2c1 ZINC001249118806 949394135 /nfs/dbraw/zinc/39/41/35/949394135.db2.gz LBDHUONBWSBZKY-MRXNPFEDSA-N 1 2 282.347 1.817 20 30 CDEDLO N#Cc1ccn2ncc(C[N@H+]3CCOC[C@@H]3C3CC3)c2c1 ZINC001249118806 949394161 /nfs/dbraw/zinc/39/41/61/949394161.db2.gz LBDHUONBWSBZKY-MRXNPFEDSA-N 1 2 282.347 1.817 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc(F)c2)C1 ZINC001250810998 950393985 /nfs/dbraw/zinc/39/39/85/950393985.db2.gz XGRMYEXJLSTKGW-JSGCOSHPSA-N 1 2 278.327 1.801 20 30 CDEDLO N#C[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc(F)c2)C1 ZINC001250810998 950394005 /nfs/dbraw/zinc/39/40/05/950394005.db2.gz XGRMYEXJLSTKGW-JSGCOSHPSA-N 1 2 278.327 1.801 20 30 CDEDLO C=CC[NH+]1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC001251927500 950965793 /nfs/dbraw/zinc/96/57/93/950965793.db2.gz LKJXWQSDXOIOTR-OAHLLOKOSA-N 1 2 294.370 1.369 20 30 CDEDLO C=CC[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(=O)OCC ZINC001324567326 953443881 /nfs/dbraw/zinc/44/38/81/953443881.db2.gz QXOJFCNSQDGBIO-NEPJUHHUSA-N 1 2 291.351 1.070 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cccnc2N(C)C)nn1 ZINC001325761949 954064540 /nfs/dbraw/zinc/06/45/40/954064540.db2.gz CXEZBTRUXVOKKZ-UHFFFAOYSA-N 1 2 272.356 1.215 20 30 CDEDLO C[C@H](c1nc(-c2nc[nH]n2)no1)[NH+]1CCC(C)(C#N)CC1 ZINC001363222453 971993040 /nfs/dbraw/zinc/99/30/40/971993040.db2.gz XQBWBWVEDGNJAB-SECBINFHSA-N 1 2 287.327 1.541 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]1(C#N)CCSC1 ZINC001292651506 954227284 /nfs/dbraw/zinc/22/72/84/954227284.db2.gz ZXRZXFDIXBXBQE-BREBYQMCSA-N 1 2 276.365 1.039 20 30 CDEDLO Cc1cc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)on1 ZINC001329499429 955950611 /nfs/dbraw/zinc/95/06/11/955950611.db2.gz QFUSLOFOWAMGJQ-UHFFFAOYSA-N 1 2 268.280 1.187 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CCOC(C)C)C1 ZINC001422719750 956286924 /nfs/dbraw/zinc/28/69/24/956286924.db2.gz MBVHEUYJONIZLG-GFCCVEGCSA-N 1 2 288.819 1.991 20 30 CDEDLO C=C[C@](C)(O)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001306755747 956330521 /nfs/dbraw/zinc/33/05/21/956330521.db2.gz YJVOTTIKXWFZEO-LRDDRELGSA-N 1 2 285.347 1.987 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)COc2cc(C)on2)C1 ZINC001366973252 957308640 /nfs/dbraw/zinc/30/86/40/957308640.db2.gz UNFOQVKIDSXRAK-UHFFFAOYSA-N 1 2 299.758 1.162 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cnn(CC)c1 ZINC001367788602 958356770 /nfs/dbraw/zinc/35/67/70/958356770.db2.gz FATJIWTWJOQBSV-NSHDSACASA-N 1 2 284.791 1.706 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cnn(CC)c1 ZINC001367788602 958356779 /nfs/dbraw/zinc/35/67/79/958356779.db2.gz FATJIWTWJOQBSV-NSHDSACASA-N 1 2 284.791 1.706 20 30 CDEDLO C=CCOCCNc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC001333749543 958565124 /nfs/dbraw/zinc/56/51/24/958565124.db2.gz VHBLBCYSCYBGFU-LLVKDONJSA-N 1 2 266.345 1.274 20 30 CDEDLO C=CCOCCNc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC001333749543 958565137 /nfs/dbraw/zinc/56/51/37/958565137.db2.gz VHBLBCYSCYBGFU-LLVKDONJSA-N 1 2 266.345 1.274 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)CC)C1 ZINC001368143865 958659738 /nfs/dbraw/zinc/65/97/38/958659738.db2.gz IFCRDPUMXQICCY-LLVKDONJSA-N 1 2 275.190 1.886 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)CC)C1 ZINC001368143865 958659744 /nfs/dbraw/zinc/65/97/44/958659744.db2.gz IFCRDPUMXQICCY-LLVKDONJSA-N 1 2 275.190 1.886 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001320413838 959155798 /nfs/dbraw/zinc/15/57/98/959155798.db2.gz OTAUCAXQGWIQJQ-HUUCEWRRSA-N 1 2 286.379 1.854 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001320413838 959155813 /nfs/dbraw/zinc/15/58/13/959155813.db2.gz OTAUCAXQGWIQJQ-HUUCEWRRSA-N 1 2 286.379 1.854 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH2+]CC(=O)Nc1cccnc1 ZINC001335880545 960079443 /nfs/dbraw/zinc/07/94/43/960079443.db2.gz DTMODLNNMJTPRE-NSHDSACASA-N 1 2 257.297 1.053 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+][C@H]1Cc2ccccc2NC1=O ZINC001336783107 960584664 /nfs/dbraw/zinc/58/46/64/960584664.db2.gz DPEKEHRFTAAEPP-RISCZKNCSA-N 1 2 268.320 1.583 20 30 CDEDLO C#CCN(CC#CC)c1nnc(C[NH+]2CCCCC2)n1C ZINC001338399330 961780511 /nfs/dbraw/zinc/78/05/11/961780511.db2.gz NYSZQRAWPWXPJP-UHFFFAOYSA-N 1 2 285.395 1.264 20 30 CDEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCC[N@@H+]2C)n1C ZINC001338580412 961889718 /nfs/dbraw/zinc/88/97/18/961889718.db2.gz SPGLKTIXAICUMU-RYUDHWBXSA-N 1 2 261.373 1.430 20 30 CDEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCC[N@H+]2C)n1C ZINC001338580412 961889740 /nfs/dbraw/zinc/88/97/40/961889740.db2.gz SPGLKTIXAICUMU-RYUDHWBXSA-N 1 2 261.373 1.430 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccco3)n2CC)CC1 ZINC001340152370 962779839 /nfs/dbraw/zinc/77/98/39/962779839.db2.gz NJPVAGTXTZDCQW-UHFFFAOYSA-N 1 2 285.351 1.313 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C[C@@H]1CCCO1 ZINC001420370989 962803041 /nfs/dbraw/zinc/80/30/41/962803041.db2.gz JKPVCIKATSPSRF-LBPRGKRZSA-N 1 2 274.792 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cnn(C)c1 ZINC001420545387 963039844 /nfs/dbraw/zinc/03/98/44/963039844.db2.gz NVZWKTVBGRZFFY-JTQLQIEISA-N 1 2 270.764 1.223 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cnn(C)c1 ZINC001420545387 963039858 /nfs/dbraw/zinc/03/98/58/963039858.db2.gz NVZWKTVBGRZFFY-JTQLQIEISA-N 1 2 270.764 1.223 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)C1=COCCO1)C1CC1 ZINC001420624133 963130420 /nfs/dbraw/zinc/13/04/20/963130420.db2.gz OFLMVMXQAOQWJP-UHFFFAOYSA-N 1 2 286.759 1.208 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)C1=COCCO1)C1CC1 ZINC001420624133 963130426 /nfs/dbraw/zinc/13/04/26/963130426.db2.gz OFLMVMXQAOQWJP-UHFFFAOYSA-N 1 2 286.759 1.208 20 30 CDEDLO CC(C)C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001438103391 963319410 /nfs/dbraw/zinc/31/94/10/963319410.db2.gz CWYIRGSXBMNPOE-UHFFFAOYSA-N 1 2 289.354 1.901 20 30 CDEDLO C[C@H](C#N)C(=O)NCC1([NH2+]Cc2ncc(C3CC3)o2)CC1 ZINC001420915595 963356461 /nfs/dbraw/zinc/35/64/61/963356461.db2.gz BELVWSRIMHDMLH-SNVBAGLBSA-N 1 2 288.351 1.450 20 30 CDEDLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)[C@@H](C#N)C(=O)N1CCCC1 ZINC001342021060 963612199 /nfs/dbraw/zinc/61/21/99/963612199.db2.gz NLSIRQHRHVEHGT-CHWSQXEVSA-N 1 2 277.368 1.190 20 30 CDEDLO CC(C)[N@H+]1CCC[C@@H]1C(=O)[C@@H](C#N)C(=O)N1CCCC1 ZINC001342021060 963612204 /nfs/dbraw/zinc/61/22/04/963612204.db2.gz NLSIRQHRHVEHGT-CHWSQXEVSA-N 1 2 277.368 1.190 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)NCc1cc[nH+]c(NCC)c1 ZINC001346203492 964983894 /nfs/dbraw/zinc/98/38/94/964983894.db2.gz VQJIHYOWHKDEDX-LLVKDONJSA-N 1 2 260.341 1.677 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccn(CC(C)C)n1 ZINC001442412221 965047721 /nfs/dbraw/zinc/04/77/21/965047721.db2.gz QOJWZTPRVXYKPM-UHFFFAOYSA-N 1 2 298.818 1.953 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccn(CC(C)C)n1 ZINC001442412221 965047731 /nfs/dbraw/zinc/04/77/31/965047731.db2.gz QOJWZTPRVXYKPM-UHFFFAOYSA-N 1 2 298.818 1.953 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1c(C)c(C)n[nH]c1=O ZINC001442561524 965116908 /nfs/dbraw/zinc/11/69/08/965116908.db2.gz KDXALRCYQBIDDV-UHFFFAOYSA-N 1 2 298.774 1.213 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1c(C)c(C)n[nH]c1=O ZINC001442561524 965116913 /nfs/dbraw/zinc/11/69/13/965116913.db2.gz KDXALRCYQBIDDV-UHFFFAOYSA-N 1 2 298.774 1.213 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001347018690 965332479 /nfs/dbraw/zinc/33/24/79/965332479.db2.gz OZSGWVCWLQGHMT-SWLSCSKDSA-N 1 2 277.368 1.450 20 30 CDEDLO C=CCC1(NC(=O)[C@H](C)n2cc[nH+]c2)CCOCC1 ZINC001347853241 965729090 /nfs/dbraw/zinc/72/90/90/965729090.db2.gz RZDBFHSCIMPVND-LBPRGKRZSA-N 1 2 263.341 1.686 20 30 CDEDLO C#CCOCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001348885379 966219076 /nfs/dbraw/zinc/21/90/76/966219076.db2.gz VKPYFTPFGHAAGN-UHFFFAOYSA-N 1 2 257.293 1.285 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001548593765 967620750 /nfs/dbraw/zinc/62/07/50/967620750.db2.gz AOCREBWXIDZHIZ-UHFFFAOYSA-N 1 2 272.308 1.983 20 30 CDEDLO CCn1ncc(C[NH2+]Cc2ccc(OCC#N)cc2)n1 ZINC001461176700 969605612 /nfs/dbraw/zinc/60/56/12/969605612.db2.gz FHKCYNYYJWCACT-UHFFFAOYSA-N 1 2 271.324 1.490 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)Nc1cc(CC#N)ccn1 ZINC001467116420 970024678 /nfs/dbraw/zinc/02/46/78/970024678.db2.gz UNBIRLCJTLDXIQ-UHFFFAOYSA-N 1 2 270.296 1.203 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CC=CCC3)n2C)CC1 ZINC001519591756 970096454 /nfs/dbraw/zinc/09/64/54/970096454.db2.gz VKLOTDFUBBXOTB-AWEZNQCLSA-N 1 2 285.395 1.394 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CCc2ccon2)C1 ZINC001373679486 973562307 /nfs/dbraw/zinc/56/23/07/973562307.db2.gz QQRFOYHCMVKZNI-CYBMUJFWSA-N 1 2 297.786 1.892 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CCc2ccon2)C1 ZINC001373679486 973562312 /nfs/dbraw/zinc/56/23/12/973562312.db2.gz QQRFOYHCMVKZNI-CYBMUJFWSA-N 1 2 297.786 1.892 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CC[C@@H]1CCOC1 ZINC001418451148 973851365 /nfs/dbraw/zinc/85/13/65/973851365.db2.gz UEICREJDINQCRL-GFCCVEGCSA-N 1 2 274.792 1.604 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CC[C@@H]1CCOC1 ZINC001418451148 973851371 /nfs/dbraw/zinc/85/13/71/973851371.db2.gz UEICREJDINQCRL-GFCCVEGCSA-N 1 2 274.792 1.604 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccnnc1C ZINC001374512971 973990531 /nfs/dbraw/zinc/99/05/31/973990531.db2.gz RMJCSWJZBLAVKK-UHFFFAOYSA-N 1 2 282.775 1.541 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccnnc1C ZINC001374512971 973990544 /nfs/dbraw/zinc/99/05/44/973990544.db2.gz RMJCSWJZBLAVKK-UHFFFAOYSA-N 1 2 282.775 1.541 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)COCC1CC1 ZINC001375009401 974223708 /nfs/dbraw/zinc/22/37/08/974223708.db2.gz NLTNRQQBPFNRDA-NSHDSACASA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)COCC1CC1 ZINC001375009401 974223714 /nfs/dbraw/zinc/22/37/14/974223714.db2.gz NLTNRQQBPFNRDA-NSHDSACASA-N 1 2 274.792 1.602 20 30 CDEDLO CC(C)[C@@H](O)C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001377142570 974902874 /nfs/dbraw/zinc/90/28/74/974902874.db2.gz FCIFNXYTLNBLDD-OAHLLOKOSA-N 1 2 289.379 1.123 20 30 CDEDLO CC(C)[C@@H](O)C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001377142570 974902876 /nfs/dbraw/zinc/90/28/76/974902876.db2.gz FCIFNXYTLNBLDD-OAHLLOKOSA-N 1 2 289.379 1.123 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cc(OC)ccn1 ZINC001505976057 975066238 /nfs/dbraw/zinc/06/62/38/975066238.db2.gz DTEVHDLHXAJHRX-LLVKDONJSA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cc(OC)ccn1 ZINC001505976057 975066241 /nfs/dbraw/zinc/06/62/41/975066241.db2.gz DTEVHDLHXAJHRX-LLVKDONJSA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCCF ZINC001505979419 975068469 /nfs/dbraw/zinc/06/84/69/975068469.db2.gz WDVJVQHMJJZLBK-SNVBAGLBSA-N 1 2 250.745 1.925 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCCF ZINC001505979419 975068471 /nfs/dbraw/zinc/06/84/71/975068471.db2.gz WDVJVQHMJJZLBK-SNVBAGLBSA-N 1 2 250.745 1.925 20 30 CDEDLO Cc1nc(C[NH+]2CC(CNC(=O)[C@H](C)C#N)C2)sc1C ZINC001404881023 975524253 /nfs/dbraw/zinc/52/42/53/975524253.db2.gz ZVWFQIYLJLBMDV-SECBINFHSA-N 1 2 292.408 1.468 20 30 CDEDLO C=CC(C)(C)CC(=O)O[C@H](COC)C[N@@H+]1CCO[C@@H](C)C1 ZINC001514933137 976377219 /nfs/dbraw/zinc/37/72/19/976377219.db2.gz YCAFPKZUGNWATH-KBPBESRZSA-N 1 2 299.411 1.868 20 30 CDEDLO C=CC(C)(C)CC(=O)O[C@H](COC)C[N@H+]1CCO[C@@H](C)C1 ZINC001514933137 976377230 /nfs/dbraw/zinc/37/72/30/976377230.db2.gz YCAFPKZUGNWATH-KBPBESRZSA-N 1 2 299.411 1.868 20 30 CDEDLO C=CC(C)(C)CC(=O)O[C@H](COC)C[N@@H+]1CCO[C@H](C)C1 ZINC001514933140 976377410 /nfs/dbraw/zinc/37/74/10/976377410.db2.gz YCAFPKZUGNWATH-KGLIPLIRSA-N 1 2 299.411 1.868 20 30 CDEDLO C=CC(C)(C)CC(=O)O[C@H](COC)C[N@H+]1CCO[C@H](C)C1 ZINC001514933140 976377419 /nfs/dbraw/zinc/37/74/19/976377419.db2.gz YCAFPKZUGNWATH-KGLIPLIRSA-N 1 2 299.411 1.868 20 30 CDEDLO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(N)=O)C2)CCC1 ZINC001132283356 1163222801 /nfs/dbraw/zinc/22/28/01/1163222801.db2.gz WNEGEWISORZETF-CHWSQXEVSA-N 1 2 293.411 1.187 20 30 CDEDLO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(N)=O)C2)CCC1 ZINC001132283356 1163222806 /nfs/dbraw/zinc/22/28/06/1163222806.db2.gz WNEGEWISORZETF-CHWSQXEVSA-N 1 2 293.411 1.187 20 30 CDEDLO CC#CCCCC(=O)NCC[NH2+]Cc1nnc(C(C)C)o1 ZINC001132591119 1163392781 /nfs/dbraw/zinc/39/27/81/1163392781.db2.gz HLLMYDSIPLVCOP-UHFFFAOYSA-N 1 2 292.383 1.592 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+]Cc1csnn1 ZINC001133378722 1163661731 /nfs/dbraw/zinc/66/17/31/1163661731.db2.gz LFGJCUQYJSGNAB-GFCCVEGCSA-N 1 2 268.386 1.346 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[NH2+]Cc2ncc(CC)o2)C1 ZINC001133570331 1163789810 /nfs/dbraw/zinc/78/98/10/1163789810.db2.gz WFYWHQDOYDDCFR-UHFFFAOYSA-N 1 2 277.368 1.799 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[NH2+]Cc2nccc(C)n2)C1 ZINC001133570383 1163789869 /nfs/dbraw/zinc/78/98/69/1163789869.db2.gz ZACINIKTELKOPY-UHFFFAOYSA-N 1 2 274.368 1.347 20 30 CDEDLO N#Cc1cccc(C[NH2+]Cc2ccc(S(N)(=O)=O)o2)c1 ZINC000088539234 1173931048 /nfs/dbraw/zinc/93/10/48/1173931048.db2.gz RSUYDLPJQLNKOJ-UHFFFAOYSA-N 1 2 291.332 1.088 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccn(C)c1 ZINC001570706749 1170244286 /nfs/dbraw/zinc/24/42/86/1170244286.db2.gz SUIZZMOMEBMQQK-NSHDSACASA-N 1 2 269.776 1.828 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccn(C)c1 ZINC001570706749 1170244292 /nfs/dbraw/zinc/24/42/92/1170244292.db2.gz SUIZZMOMEBMQQK-NSHDSACASA-N 1 2 269.776 1.828 20 30 CDEDLO N#CC1(NC(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CCOCC1 ZINC000601182036 342489019 /nfs/dbraw/zinc/48/90/19/342489019.db2.gz ROVBVKNPAGXQFM-UHFFFAOYSA-N 1 2 296.330 1.879 20 30 CDEDLO C=C[C@H](C(=O)OC)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000588206879 342494353 /nfs/dbraw/zinc/49/43/53/342494353.db2.gz QIMMFFWBQUPFOY-CHWSQXEVSA-N 1 2 262.309 1.262 20 30 CDEDLO COC(=O)c1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cn1C ZINC000589173173 342498348 /nfs/dbraw/zinc/49/83/48/342498348.db2.gz LZTRULYUMDWAKX-HNNXBMFYSA-N 1 2 275.352 1.937 20 30 CDEDLO COC(=O)c1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)cn1C ZINC000589173173 342498349 /nfs/dbraw/zinc/49/83/49/342498349.db2.gz LZTRULYUMDWAKX-HNNXBMFYSA-N 1 2 275.352 1.937 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000590210622 342524867 /nfs/dbraw/zinc/52/48/67/342524867.db2.gz IMIDPBFZJXQHAT-UHFFFAOYSA-N 1 2 294.314 1.560 20 30 CDEDLO COC[C@@](C)(C#N)NC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000601319686 342553015 /nfs/dbraw/zinc/55/30/15/342553015.db2.gz FTJUYQKWVIBQPZ-OAHLLOKOSA-N 1 2 284.319 1.735 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CCc2[nH+]c[nH]c2C1 ZINC000590602926 342577922 /nfs/dbraw/zinc/57/79/22/342577922.db2.gz YHMBASOSXAOELI-HNNXBMFYSA-N 1 2 296.330 1.554 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000127794088 187334011 /nfs/dbraw/zinc/33/40/11/187334011.db2.gz YNLFIDGHASAZBQ-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO Cc1nn(C)cc1C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000590709454 342585187 /nfs/dbraw/zinc/58/51/87/342585187.db2.gz XQEBUQFAUJXECF-HNNXBMFYSA-N 1 2 275.400 1.394 20 30 CDEDLO Cc1nn(C)cc1C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000590709455 342585263 /nfs/dbraw/zinc/58/52/63/342585263.db2.gz XQEBUQFAUJXECF-OAHLLOKOSA-N 1 2 275.400 1.394 20 30 CDEDLO CC(C)C[C@H](C#N)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000608854382 342078713 /nfs/dbraw/zinc/07/87/13/342078713.db2.gz YMGXIAKASPBZFW-GFCCVEGCSA-N 1 2 270.336 1.931 20 30 CDEDLO N#CCSCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131027 342091358 /nfs/dbraw/zinc/09/13/58/342091358.db2.gz GMVOHSREWOKTDO-NSHDSACASA-N 1 2 264.354 1.303 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000111274088 342612527 /nfs/dbraw/zinc/61/25/27/342612527.db2.gz RCMUAXBANZZUNS-KBPBESRZSA-N 1 2 266.385 1.686 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000111274088 342612528 /nfs/dbraw/zinc/61/25/28/342612528.db2.gz RCMUAXBANZZUNS-KBPBESRZSA-N 1 2 266.385 1.686 20 30 CDEDLO C=C[C@@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)C(=O)OC ZINC000591376603 342629360 /nfs/dbraw/zinc/62/93/60/342629360.db2.gz XBVOCJLWXNQNTC-VXGBXAGGSA-N 1 2 253.342 1.653 20 30 CDEDLO N#CCC[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000591759021 342644115 /nfs/dbraw/zinc/64/41/15/342644115.db2.gz QVLBIVNDKFHNHH-AWEZNQCLSA-N 1 2 268.320 1.557 20 30 CDEDLO COc1cc(OC)cc(N2CC[C@@H]([NH2+]CCC#N)C2=O)c1 ZINC000591747710 342645329 /nfs/dbraw/zinc/64/53/29/342645329.db2.gz CPFNKIPCCKLAHB-CQSZACIVSA-N 1 2 289.335 1.312 20 30 CDEDLO COc1c(C)ccc(NC[C@H](O)C[N@H+](C)CCC#N)c1C ZINC000591773656 342646277 /nfs/dbraw/zinc/64/62/77/342646277.db2.gz ZJEKCBWVVZRRNC-AWEZNQCLSA-N 1 2 291.395 1.930 20 30 CDEDLO COc1c(C)ccc(NC[C@H](O)C[N@@H+](C)CCC#N)c1C ZINC000591773656 342646278 /nfs/dbraw/zinc/64/62/78/342646278.db2.gz ZJEKCBWVVZRRNC-AWEZNQCLSA-N 1 2 291.395 1.930 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NCCC2=CCCCC2)C1 ZINC000592146352 342673419 /nfs/dbraw/zinc/67/34/19/342673419.db2.gz BWOQDRGUGIJYNR-MRXNPFEDSA-N 1 2 291.395 1.344 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NCCC2=CCCCC2)C1 ZINC000592146352 342673420 /nfs/dbraw/zinc/67/34/20/342673420.db2.gz BWOQDRGUGIJYNR-MRXNPFEDSA-N 1 2 291.395 1.344 20 30 CDEDLO Cc1cc(CNC(=O)N2CC[C@](O)(CC#N)C2)cc(C)[nH+]1 ZINC000592031181 342662668 /nfs/dbraw/zinc/66/26/68/342662668.db2.gz WCGBJJNTJPQOFZ-OAHLLOKOSA-N 1 2 288.351 1.259 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)[C@H](C)CO1 ZINC000593064895 342761554 /nfs/dbraw/zinc/76/15/54/342761554.db2.gz WIQRPGQYQGCUBG-ZIAGYGMSSA-N 1 2 292.383 1.142 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@H](C)CO1 ZINC000593064895 342761555 /nfs/dbraw/zinc/76/15/55/342761555.db2.gz WIQRPGQYQGCUBG-ZIAGYGMSSA-N 1 2 292.383 1.142 20 30 CDEDLO CC[C@H](C)[C@H](OC)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593153032 342773900 /nfs/dbraw/zinc/77/39/00/342773900.db2.gz DYQMFJMLPGAPDH-GVXVVHGQSA-N 1 2 255.362 1.008 20 30 CDEDLO Cc1cc(NCC[C@@]2(O)CCCOC2)c(C#N)c[nH+]1 ZINC000593517748 342805917 /nfs/dbraw/zinc/80/59/17/342805917.db2.gz FEBRVKXFFXFMBE-AWEZNQCLSA-N 1 2 261.325 1.027 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3cnccn3)CC2)c(F)c1 ZINC000141888679 361958936 /nfs/dbraw/zinc/95/89/36/361958936.db2.gz XMXYHXYEWMKGKP-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO COc1ccccc1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000562921522 361982005 /nfs/dbraw/zinc/98/20/05/361982005.db2.gz PHZDNJYAGVDJGV-OAHLLOKOSA-N 1 2 275.352 1.198 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1scc2c1OCCO2 ZINC000594024669 342867528 /nfs/dbraw/zinc/86/75/28/342867528.db2.gz URWKQICTHJCHKY-CYBMUJFWSA-N 1 2 295.364 1.093 20 30 CDEDLO Cn1cc(C[NH+]2CCN(Cc3ccc(C#N)cn3)CC2)cn1 ZINC000593958981 342857607 /nfs/dbraw/zinc/85/76/07/342857607.db2.gz OACDWRDBLMHDGH-UHFFFAOYSA-N 1 2 296.378 1.005 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CC[C@@H](C)O ZINC000083213297 342219000 /nfs/dbraw/zinc/21/90/00/342219000.db2.gz WYZFRGCFBJRFFX-RISCZKNCSA-N 1 2 276.336 1.475 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@@H](C)O ZINC000083213297 342219001 /nfs/dbraw/zinc/21/90/01/342219001.db2.gz WYZFRGCFBJRFFX-RISCZKNCSA-N 1 2 276.336 1.475 20 30 CDEDLO Cn1cc[nH+]c1[C@H](CC(=O)N1CC(C#N)C1)C(F)(F)F ZINC000594365011 342896324 /nfs/dbraw/zinc/89/63/24/342896324.db2.gz QEMCQQFEMXSRQS-VIFPVBQESA-N 1 2 286.257 1.438 20 30 CDEDLO CC[N@H+](CC1(CC#N)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000395707857 342276937 /nfs/dbraw/zinc/27/69/37/342276937.db2.gz OSHFXPJGQJDRCU-NSHDSACASA-N 1 2 256.371 1.189 20 30 CDEDLO CC[N@@H+](CC1(CC#N)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000395707857 342276938 /nfs/dbraw/zinc/27/69/38/342276938.db2.gz OSHFXPJGQJDRCU-NSHDSACASA-N 1 2 256.371 1.189 20 30 CDEDLO C=CCCSCCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000594685086 342940888 /nfs/dbraw/zinc/94/08/88/342940888.db2.gz HPAXUMXFRALGIQ-GFCCVEGCSA-N 1 2 282.413 1.880 20 30 CDEDLO CC[C@H](NC(=O)c1cc2n(n1)CCCO2)c1[nH]cc[nH+]1 ZINC000330349190 529582041 /nfs/dbraw/zinc/58/20/41/529582041.db2.gz JOAHJBOONMVWOC-VIFPVBQESA-N 1 2 275.312 1.845 20 30 CDEDLO N#Cc1ccc(C(=O)NCCCCNc2cccc[nH+]2)[nH]1 ZINC000126103830 187217382 /nfs/dbraw/zinc/21/73/82/187217382.db2.gz IQIDAOOEXZENJU-UHFFFAOYSA-N 1 2 283.335 1.903 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)nn1 ZINC000595622858 343111552 /nfs/dbraw/zinc/11/15/52/343111552.db2.gz FBYOMMDWIJOTMW-ZDUSSCGKSA-N 1 2 259.357 1.980 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](CC#N)C2)nn1 ZINC000595622858 343111555 /nfs/dbraw/zinc/11/15/55/343111555.db2.gz FBYOMMDWIJOTMW-ZDUSSCGKSA-N 1 2 259.357 1.980 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)c1cccc(SCC#N)c1 ZINC000079541538 342345774 /nfs/dbraw/zinc/34/57/74/342345774.db2.gz RFBOJUIHMKKHGZ-UHFFFAOYSA-N 1 2 286.360 1.966 20 30 CDEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(C#N)s1 ZINC000126658575 187254251 /nfs/dbraw/zinc/25/42/51/187254251.db2.gz ADVMHUKYXVAKEH-ZJUUUORDSA-N 1 2 286.422 1.873 20 30 CDEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000126658575 187254253 /nfs/dbraw/zinc/25/42/53/187254253.db2.gz ADVMHUKYXVAKEH-ZJUUUORDSA-N 1 2 286.422 1.873 20 30 CDEDLO N#Cc1cc([N+](=O)[O-])ccc1SCC[NH+]1CCOCC1 ZINC000090069714 342393642 /nfs/dbraw/zinc/39/36/42/342393642.db2.gz YAAHEHFTNGHFRO-UHFFFAOYSA-N 1 2 293.348 1.891 20 30 CDEDLO Cn1c[nH+]cc1CCn1cc2c(c(C#N)c1=O)CCC2 ZINC000596276138 343295533 /nfs/dbraw/zinc/29/55/33/343295533.db2.gz ZSEDEAWXSWQMDK-UHFFFAOYSA-N 1 2 268.320 1.185 20 30 CDEDLO N#Cc1ccc(NCc2ccc[nH+]c2N2CCCC2)nn1 ZINC000596357687 343309903 /nfs/dbraw/zinc/30/99/03/343309903.db2.gz QITPGBSJGDBFPW-UHFFFAOYSA-N 1 2 280.335 1.377 20 30 CDEDLO Cc1cn2ccc(NC(=O)NC[C@@H](C)C#N)cc2[nH+]1 ZINC000597126031 343459855 /nfs/dbraw/zinc/45/98/55/343459855.db2.gz BOBRHFQPYRYSLG-VIFPVBQESA-N 1 2 257.297 1.924 20 30 CDEDLO CCC#C[C@@H](C)[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000677046615 482518207 /nfs/dbraw/zinc/51/82/07/482518207.db2.gz CFEQJNASLXOMEB-OAHLLOKOSA-N 1 2 277.412 1.028 20 30 CDEDLO CCC#C[C@@H](C)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000677046615 482518213 /nfs/dbraw/zinc/51/82/13/482518213.db2.gz CFEQJNASLXOMEB-OAHLLOKOSA-N 1 2 277.412 1.028 20 30 CDEDLO C=C[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)C(=O)OC ZINC000619723298 349873304 /nfs/dbraw/zinc/87/33/04/349873304.db2.gz XZXAOAMJEAFTOR-VXGBXAGGSA-N 1 2 253.342 1.653 20 30 CDEDLO COc1ccccc1CCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000575109530 334946569 /nfs/dbraw/zinc/94/65/69/334946569.db2.gz URGYFIUPGKTHIH-INIZCTEOSA-N 1 2 289.379 1.588 20 30 CDEDLO N#CC1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC000598949544 343933568 /nfs/dbraw/zinc/93/35/68/343933568.db2.gz VONAUDGADDIXSL-NSHDSACASA-N 1 2 258.325 1.398 20 30 CDEDLO Cc1c(C#N)c(NC[C@H]2COCC[N@H+]2C)nc2ccccc12 ZINC000599161959 343971601 /nfs/dbraw/zinc/97/16/01/343971601.db2.gz YVMHQHSMTQOHTL-ZDUSSCGKSA-N 1 2 296.374 1.579 20 30 CDEDLO Cc1c(C#N)c(NC[C@H]2COCC[N@@H+]2C)nc2ccccc12 ZINC000599161959 343971604 /nfs/dbraw/zinc/97/16/04/343971604.db2.gz YVMHQHSMTQOHTL-ZDUSSCGKSA-N 1 2 296.374 1.579 20 30 CDEDLO CCC(C#N)(CC)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000599847646 344146291 /nfs/dbraw/zinc/14/62/91/344146291.db2.gz WALBOARXCXLQMB-OKILXGFUSA-N 1 2 295.427 1.884 20 30 CDEDLO CCC(C#N)(CC)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000599847646 344146293 /nfs/dbraw/zinc/14/62/93/344146293.db2.gz WALBOARXCXLQMB-OKILXGFUSA-N 1 2 295.427 1.884 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)NCC1CCC(C#N)CC1 ZINC000601602816 344207905 /nfs/dbraw/zinc/20/79/05/344207905.db2.gz BRYMJXXAPSFROS-UHFFFAOYSA-N 1 2 275.356 1.881 20 30 CDEDLO CCC(C#N)(CC)C(=O)N(C)C[C@@H]1C[N@H+](C)CCO1 ZINC000601732900 344233522 /nfs/dbraw/zinc/23/35/22/344233522.db2.gz DFXTURXSQNWDAE-LBPRGKRZSA-N 1 2 267.373 1.105 20 30 CDEDLO CCC(C#N)(CC)C(=O)N(C)C[C@@H]1C[N@@H+](C)CCO1 ZINC000601732900 344233523 /nfs/dbraw/zinc/23/35/23/344233523.db2.gz DFXTURXSQNWDAE-LBPRGKRZSA-N 1 2 267.373 1.105 20 30 CDEDLO COc1ccccc1N1CC[C@@H]([NH2+]CCC#N)C1=O ZINC000569685995 362378204 /nfs/dbraw/zinc/37/82/04/362378204.db2.gz CAGWNJAWKDRASH-LLVKDONJSA-N 1 2 259.309 1.304 20 30 CDEDLO CC[N@@H+](Cc1ccc(S(N)(=O)=O)cc1)C[C@@H](C)C#N ZINC000602446976 344433302 /nfs/dbraw/zinc/43/33/02/344433302.db2.gz JHPMFYYJBBQSSX-NSHDSACASA-N 1 2 281.381 1.316 20 30 CDEDLO CC[N@H+](Cc1ccc(S(N)(=O)=O)cc1)C[C@@H](C)C#N ZINC000602446976 344433303 /nfs/dbraw/zinc/43/33/03/344433303.db2.gz JHPMFYYJBBQSSX-NSHDSACASA-N 1 2 281.381 1.316 20 30 CDEDLO COc1ncc(C[N@@H+]2CC[C@@](O)(CC#N)C2)s1 ZINC000602697393 344544505 /nfs/dbraw/zinc/54/45/05/344544505.db2.gz PGXDLLOETGOWTD-NSHDSACASA-N 1 2 253.327 1.002 20 30 CDEDLO COc1ncc(C[N@H+]2CC[C@@](O)(CC#N)C2)s1 ZINC000602697393 344544506 /nfs/dbraw/zinc/54/45/06/344544506.db2.gz PGXDLLOETGOWTD-NSHDSACASA-N 1 2 253.327 1.002 20 30 CDEDLO C[C@@]1(C#N)CCN(Cc2cc3c(c[nH+]2)OCCO3)C1 ZINC000602716825 344556282 /nfs/dbraw/zinc/55/62/82/344556282.db2.gz FKCJKCABVAOXRZ-AWEZNQCLSA-N 1 2 259.309 1.588 20 30 CDEDLO N#Cc1cccc(NCc2cc[nH+]c(N3CCOCC3)c2)n1 ZINC000265515510 362440346 /nfs/dbraw/zinc/44/03/46/362440346.db2.gz LFPCCEWTPXRSBR-UHFFFAOYSA-N 1 2 295.346 1.797 20 30 CDEDLO COCc1ccc(CNC(=O)C[NH2+][C@@H](C)CC#N)cc1 ZINC000602860669 344616541 /nfs/dbraw/zinc/61/65/41/344616541.db2.gz DYVBWENPUCEWSP-LBPRGKRZSA-N 1 2 275.352 1.341 20 30 CDEDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)CC#N ZINC000602787029 344599813 /nfs/dbraw/zinc/59/98/13/344599813.db2.gz GEAGETGMMDUGRE-SECBINFHSA-N 1 2 251.290 1.334 20 30 CDEDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H](C)CC#N ZINC000602787029 344599814 /nfs/dbraw/zinc/59/98/14/344599814.db2.gz GEAGETGMMDUGRE-SECBINFHSA-N 1 2 251.290 1.334 20 30 CDEDLO Cc1cccn2cc(Cn3cnc(C#N)c3C#N)[nH+]c12 ZINC000159624403 362473807 /nfs/dbraw/zinc/47/38/07/362473807.db2.gz ALNAJXIGKGRRNU-UHFFFAOYSA-N 1 2 262.276 1.631 20 30 CDEDLO Cc1n[nH]cc1C[N@@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000602937714 344665128 /nfs/dbraw/zinc/66/51/28/344665128.db2.gz LRIOAXOHVXVMRA-SWLSCSKDSA-N 1 2 291.399 1.593 20 30 CDEDLO Cc1n[nH]cc1C[N@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000602937714 344665130 /nfs/dbraw/zinc/66/51/30/344665130.db2.gz LRIOAXOHVXVMRA-SWLSCSKDSA-N 1 2 291.399 1.593 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)NCCc1ccccc1 ZINC000602864215 344637844 /nfs/dbraw/zinc/63/78/44/344637844.db2.gz QLLQOCOONSXHCU-CHWSQXEVSA-N 1 2 259.353 1.626 20 30 CDEDLO N#CCCN1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000603006846 344689208 /nfs/dbraw/zinc/68/92/08/344689208.db2.gz NRNJNDFLSJQHLH-UHFFFAOYSA-N 1 2 298.350 1.397 20 30 CDEDLO CCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164364 347066813 /nfs/dbraw/zinc/06/68/13/347066813.db2.gz DZCPOHMYAHRAOY-OCCSQVGLSA-N 1 2 251.374 1.917 20 30 CDEDLO CCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164364 347066815 /nfs/dbraw/zinc/06/68/15/347066815.db2.gz DZCPOHMYAHRAOY-OCCSQVGLSA-N 1 2 251.374 1.917 20 30 CDEDLO CC(C)SCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000604538479 344898750 /nfs/dbraw/zinc/89/87/50/344898750.db2.gz RKIDOWNORYNWDW-UHFFFAOYSA-N 1 2 299.440 1.202 20 30 CDEDLO C=CC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000604881021 344943414 /nfs/dbraw/zinc/94/34/14/344943414.db2.gz MXEBOQRBUGZYNO-JTQLQIEISA-N 1 2 257.297 1.357 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000050091628 344981874 /nfs/dbraw/zinc/98/18/74/344981874.db2.gz UMVKCENJBIQIPQ-LLVKDONJSA-N 1 2 299.334 1.974 20 30 CDEDLO CN(CC[NH+]1CCOCC1)[C@H](C#N)c1ccccc1 ZINC000041345205 345227136 /nfs/dbraw/zinc/22/71/36/345227136.db2.gz ANPXQPSQUKOYFN-OAHLLOKOSA-N 1 2 259.353 1.515 20 30 CDEDLO N#CC1(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)CCCC1 ZINC000382678568 345243147 /nfs/dbraw/zinc/24/31/47/345243147.db2.gz ZPFHQPRUKUIAAI-AWEZNQCLSA-N 1 2 291.395 1.394 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000073350161 345441523 /nfs/dbraw/zinc/44/15/23/345441523.db2.gz MNWDGYHYQGRXLE-INIZCTEOSA-N 1 2 296.374 1.864 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000073350161 345441526 /nfs/dbraw/zinc/44/15/26/345441526.db2.gz MNWDGYHYQGRXLE-INIZCTEOSA-N 1 2 296.374 1.864 20 30 CDEDLO C=CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H](C)COC ZINC000617579013 345865502 /nfs/dbraw/zinc/86/55/02/345865502.db2.gz WEDWZRHGIPMNFA-QWHCGFSZSA-N 1 2 277.368 1.495 20 30 CDEDLO C=CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@H](C)COC ZINC000617584643 345870937 /nfs/dbraw/zinc/87/09/37/345870937.db2.gz HSRLUYRPBHRUMR-CHWSQXEVSA-N 1 2 265.357 1.884 20 30 CDEDLO CC(C)[C@@H](C#N)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC000610581983 346318513 /nfs/dbraw/zinc/31/85/13/346318513.db2.gz DBJVJDHXGVCMBS-CQSZACIVSA-N 1 2 261.373 1.086 20 30 CDEDLO Cc1cccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1F ZINC000584785004 346433059 /nfs/dbraw/zinc/43/30/59/346433059.db2.gz ZEPUXTMVGMTRNC-AWEZNQCLSA-N 1 2 263.316 1.708 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449652208 362764121 /nfs/dbraw/zinc/76/41/21/362764121.db2.gz PLJKTSRIPJDPER-GHMZBOCLSA-N 1 2 276.327 1.329 20 30 CDEDLO C=CCC[C@@H]([NH2+][C@H](C)Cn1cccn1)C(=O)OCC ZINC000449656743 362763889 /nfs/dbraw/zinc/76/38/89/362763889.db2.gz MDWKYDKEVWGJQU-CHWSQXEVSA-N 1 2 265.357 1.759 20 30 CDEDLO COCC1([N@H+](C)CC(=O)Nc2sccc2C#N)CC1 ZINC000611177897 346629259 /nfs/dbraw/zinc/62/92/59/346629259.db2.gz CKECCLZQPIFFBC-UHFFFAOYSA-N 1 2 279.365 1.669 20 30 CDEDLO COCC1([N@@H+](C)CC(=O)Nc2sccc2C#N)CC1 ZINC000611177897 346629262 /nfs/dbraw/zinc/62/92/62/346629262.db2.gz CKECCLZQPIFFBC-UHFFFAOYSA-N 1 2 279.365 1.669 20 30 CDEDLO CCOc1cccc(N2CC[NH+](CC3(C#N)CC3)CC2)n1 ZINC000611237794 346706673 /nfs/dbraw/zinc/70/66/73/346706673.db2.gz RZTWAELOTROAIQ-UHFFFAOYSA-N 1 2 286.379 1.906 20 30 CDEDLO COc1ccc(C[N@H+](C)C[C@@H](C#N)CCC#N)cn1 ZINC000611209155 346698220 /nfs/dbraw/zinc/69/82/20/346698220.db2.gz JXXRKUFVPZCMIJ-GFCCVEGCSA-N 1 2 258.325 1.966 20 30 CDEDLO COc1ccc(C[N@@H+](C)C[C@@H](C#N)CCC#N)cn1 ZINC000611209155 346698226 /nfs/dbraw/zinc/69/82/26/346698226.db2.gz JXXRKUFVPZCMIJ-GFCCVEGCSA-N 1 2 258.325 1.966 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1nnc(C(C)C)s1 ZINC000491251992 347579908 /nfs/dbraw/zinc/57/99/08/347579908.db2.gz DPOHCLQXOTVOTB-VIFPVBQESA-N 1 2 266.370 1.554 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1nnc(C(C)C)s1 ZINC000491251992 347579909 /nfs/dbraw/zinc/57/99/09/347579909.db2.gz DPOHCLQXOTVOTB-VIFPVBQESA-N 1 2 266.370 1.554 20 30 CDEDLO N#Cc1cc(O)cc(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000614292875 348072361 /nfs/dbraw/zinc/07/23/61/348072361.db2.gz DOCISPWBQZZFOU-UHFFFAOYSA-N 1 2 270.292 1.280 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(C(=O)N(C)C(C)C)CC1 ZINC000619716298 348180224 /nfs/dbraw/zinc/18/02/24/348180224.db2.gz IBYXVTUDLQKWOV-ZDUSSCGKSA-N 1 2 282.384 1.293 20 30 CDEDLO CC(C)(C)/C=C/C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000074250336 349208686 /nfs/dbraw/zinc/20/86/86/349208686.db2.gz WKBDUQNQXUQRMQ-AATRIKPKSA-N 1 2 293.411 1.663 20 30 CDEDLO N#C[C@@]1(NC(=O)c2ccc3[nH+]ccn3c2)CCSC1 ZINC000068325443 351084640 /nfs/dbraw/zinc/08/46/40/351084640.db2.gz CSNZPFXDJOSOBD-ZDUSSCGKSA-N 1 2 272.333 1.463 20 30 CDEDLO N#C[C@]1(NC(=O)c2ccc3[nH+]ccn3c2)CCSC1 ZINC000068325444 351085795 /nfs/dbraw/zinc/08/57/95/351085795.db2.gz CSNZPFXDJOSOBD-CYBMUJFWSA-N 1 2 272.333 1.463 20 30 CDEDLO N#Cc1ccc(C[N@@H+](Cc2nc(=O)[nH][nH]2)C2CC2)cc1 ZINC000271661422 191263888 /nfs/dbraw/zinc/26/38/88/191263888.db2.gz YAMPXNOVQYJEGE-UHFFFAOYSA-N 1 2 269.308 1.134 20 30 CDEDLO N#Cc1ccc(C[N@H+](Cc2nc(=O)[nH][nH]2)C2CC2)cc1 ZINC000271661422 191263889 /nfs/dbraw/zinc/26/38/89/191263889.db2.gz YAMPXNOVQYJEGE-UHFFFAOYSA-N 1 2 269.308 1.134 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)COc1ccccc1C#N ZINC000155165720 188187922 /nfs/dbraw/zinc/18/79/22/188187922.db2.gz DDNYBSQOZANJHH-UHFFFAOYSA-N 1 2 298.346 1.682 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1ccccn1 ZINC000295191705 199398049 /nfs/dbraw/zinc/39/80/49/199398049.db2.gz RDQOIWSFRZXRSI-UHFFFAOYSA-N 1 2 261.369 1.938 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1ccccn1 ZINC000295191705 199398051 /nfs/dbraw/zinc/39/80/51/199398051.db2.gz RDQOIWSFRZXRSI-UHFFFAOYSA-N 1 2 261.369 1.938 20 30 CDEDLO C=CCN(CCC#N)C(=O)/C=C\c1[nH+]ccn1CC ZINC000493187106 366196790 /nfs/dbraw/zinc/19/67/90/366196790.db2.gz IJBFRXHFDNTMSU-SREVYHEPSA-N 1 2 258.325 1.844 20 30 CDEDLO C[C@]1(CO)CCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000329522007 538578924 /nfs/dbraw/zinc/57/89/24/538578924.db2.gz FZRQPTJGEPMKBE-DGCLKSJQSA-N 1 2 251.330 1.850 20 30 CDEDLO C[C@]1(CO)CCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000329522007 538578934 /nfs/dbraw/zinc/57/89/34/538578934.db2.gz FZRQPTJGEPMKBE-DGCLKSJQSA-N 1 2 251.330 1.850 20 30 CDEDLO Cc1nnc(N[C@@H](C)C[NH+]2CCOCC2)c(C#N)c1C ZINC000048336792 356789502 /nfs/dbraw/zinc/78/95/02/356789502.db2.gz MCNTXKXRPUZUTH-JTQLQIEISA-N 1 2 275.356 1.098 20 30 CDEDLO C=C(C)COCCNC(=O)CCCn1cc[nH+]c1 ZINC000132569426 538789695 /nfs/dbraw/zinc/78/96/95/538789695.db2.gz JYQMUZGADHGNOJ-UHFFFAOYSA-N 1 2 251.330 1.372 20 30 CDEDLO CN(CC[NH+]1CCOCC1)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000290623134 357234287 /nfs/dbraw/zinc/23/42/87/357234287.db2.gz LRYIQROWRUAOPW-UHFFFAOYSA-N 1 2 290.323 1.235 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@H+](Cc1ccccn1)C1CC1)C1CC1 ZINC000181345563 357337198 /nfs/dbraw/zinc/33/71/98/357337198.db2.gz FPAPBWYPONIQAZ-QGZVFWFLSA-N 1 2 298.390 1.854 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@@H+](Cc1ccccn1)C1CC1)C1CC1 ZINC000181345563 357337204 /nfs/dbraw/zinc/33/72/04/357337204.db2.gz FPAPBWYPONIQAZ-QGZVFWFLSA-N 1 2 298.390 1.854 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(F)c(C#N)c1 ZINC000334755632 357630271 /nfs/dbraw/zinc/63/02/71/357630271.db2.gz HOASULZKFIGIAG-UHFFFAOYSA-N 1 2 273.271 1.753 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(C(N)=O)CC1 ZINC000186560639 357662472 /nfs/dbraw/zinc/66/24/72/357662472.db2.gz BZXAUXXYMYQHKN-UHFFFAOYSA-N 1 2 277.755 1.909 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@]23CCOC3=O)cc1 ZINC000186620351 357669148 /nfs/dbraw/zinc/66/91/48/357669148.db2.gz BRLPROXTLXLIBI-OAHLLOKOSA-N 1 2 256.305 1.840 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@]23CCOC3=O)cc1 ZINC000186620351 357669152 /nfs/dbraw/zinc/66/91/52/357669152.db2.gz BRLPROXTLXLIBI-OAHLLOKOSA-N 1 2 256.305 1.840 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCC[C@](F)(CO)C2)ccc1F ZINC000286779035 358002772 /nfs/dbraw/zinc/00/27/72/358002772.db2.gz HDYUESUXOGEOKC-CQSZACIVSA-N 1 2 266.291 1.994 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCC[C@](F)(CO)C2)ccc1F ZINC000286779035 358002778 /nfs/dbraw/zinc/00/27/78/358002778.db2.gz HDYUESUXOGEOKC-CQSZACIVSA-N 1 2 266.291 1.994 20 30 CDEDLO CN1CC[C@H]([NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)C1=O ZINC000080904744 358108229 /nfs/dbraw/zinc/10/82/29/358108229.db2.gz IXRBYPCWNTVDKM-HOTGVXAUSA-N 1 2 298.390 1.100 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000563080975 358659823 /nfs/dbraw/zinc/65/98/23/358659823.db2.gz KXFYZDVKHMVXHX-KGLIPLIRSA-N 1 2 293.411 1.638 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000563080975 358659826 /nfs/dbraw/zinc/65/98/26/358659826.db2.gz KXFYZDVKHMVXHX-KGLIPLIRSA-N 1 2 293.411 1.638 20 30 CDEDLO COCC[NH+]1CCN(c2nc(C)c(C#N)cc2Cl)CC1 ZINC000290914713 358771310 /nfs/dbraw/zinc/77/13/10/358771310.db2.gz GVLVGOKKEDPXGM-UHFFFAOYSA-N 1 2 294.786 1.684 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)n1C)C1CC1 ZINC000451684269 359071013 /nfs/dbraw/zinc/07/10/13/359071013.db2.gz UXFPFTGBPOMXRP-CYBMUJFWSA-N 1 2 283.335 1.511 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000338147194 359090701 /nfs/dbraw/zinc/09/07/01/359090701.db2.gz LQBQPPYDPVBPDK-GFCCVEGCSA-N 1 2 287.363 1.317 20 30 CDEDLO CC(C)[C@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@@H+]1C ZINC000344770300 359132777 /nfs/dbraw/zinc/13/27/77/359132777.db2.gz KQZSBLWPYPAAIV-GFCCVEGCSA-N 1 2 297.380 1.112 20 30 CDEDLO CC(C)[C@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@H+]1C ZINC000344770300 359132779 /nfs/dbraw/zinc/13/27/79/359132779.db2.gz KQZSBLWPYPAAIV-GFCCVEGCSA-N 1 2 297.380 1.112 20 30 CDEDLO COCC#CC[N@@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000643256513 359252966 /nfs/dbraw/zinc/25/29/66/359252966.db2.gz ROCOKGYBAQJDAS-HNNXBMFYSA-N 1 2 278.396 1.407 20 30 CDEDLO COCC#CC[N@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000643256513 359252971 /nfs/dbraw/zinc/25/29/71/359252971.db2.gz ROCOKGYBAQJDAS-HNNXBMFYSA-N 1 2 278.396 1.407 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+](CCO)Cc1cccnc1 ZINC000268634115 359362695 /nfs/dbraw/zinc/36/26/95/359362695.db2.gz CINNLCGDUNQCNY-UHFFFAOYSA-N 1 2 289.379 1.077 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+](CCO)Cc1cccnc1 ZINC000268634115 359362699 /nfs/dbraw/zinc/36/26/99/359362699.db2.gz CINNLCGDUNQCNY-UHFFFAOYSA-N 1 2 289.379 1.077 20 30 CDEDLO N#CCC[NH2+]Cc1ccc2c(c1)CCS2(=O)=O ZINC000567684780 363655388 /nfs/dbraw/zinc/65/53/88/363655388.db2.gz PANASRPVNHMOPY-UHFFFAOYSA-N 1 2 250.323 1.020 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCCn1cc[nH+]c1)OCC ZINC000270003474 359384455 /nfs/dbraw/zinc/38/44/55/359384455.db2.gz CAZWWIKMUMGPHI-LBPRGKRZSA-N 1 2 251.330 1.371 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000274009956 359490805 /nfs/dbraw/zinc/49/08/05/359490805.db2.gz OCSANUUOPKEMPM-JTQLQIEISA-N 1 2 288.189 1.431 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000274009956 359490809 /nfs/dbraw/zinc/49/08/09/359490809.db2.gz OCSANUUOPKEMPM-JTQLQIEISA-N 1 2 288.189 1.431 20 30 CDEDLO C#CC[N@@H+](C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000274119411 359492381 /nfs/dbraw/zinc/49/23/81/359492381.db2.gz GQWFDKDQCHDJIZ-OAHLLOKOSA-N 1 2 293.388 1.221 20 30 CDEDLO C#CC[N@H+](C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000274119411 359492384 /nfs/dbraw/zinc/49/23/84/359492384.db2.gz GQWFDKDQCHDJIZ-OAHLLOKOSA-N 1 2 293.388 1.221 20 30 CDEDLO C=CCCN(C)c1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000276291788 359543574 /nfs/dbraw/zinc/54/35/74/359543574.db2.gz JYIDLHJSSVGZTD-ZDUSSCGKSA-N 1 2 276.384 1.698 20 30 CDEDLO C=CCCN(C)c1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000276291788 359543575 /nfs/dbraw/zinc/54/35/75/359543575.db2.gz JYIDLHJSSVGZTD-ZDUSSCGKSA-N 1 2 276.384 1.698 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1nc(C)no1 ZINC000348096249 359831791 /nfs/dbraw/zinc/83/17/91/359831791.db2.gz QEKHAXWGEYJLEQ-GHMZBOCLSA-N 1 2 280.372 1.842 20 30 CDEDLO Cc1nc(C(=O)NCCCn2cc[nH+]c2)ccc1C#N ZINC000298269200 200377178 /nfs/dbraw/zinc/37/71/78/200377178.db2.gz CGADFCIFBIKYIW-UHFFFAOYSA-N 1 2 269.308 1.278 20 30 CDEDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1ccc(C#N)o1 ZINC000451925395 360161990 /nfs/dbraw/zinc/16/19/90/360161990.db2.gz FNZNNUJTXRQQBG-VIFPVBQESA-N 1 2 294.336 1.407 20 30 CDEDLO C=CCn1cccc1C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000337568359 360251418 /nfs/dbraw/zinc/25/14/18/360251418.db2.gz AEQSZMXSNNJBOJ-HNNXBMFYSA-N 1 2 296.374 1.856 20 30 CDEDLO C#Cc1cccc(NC(=O)CN(C)Cc2c[nH+]cn2C)c1 ZINC000177015026 189020882 /nfs/dbraw/zinc/02/08/82/189020882.db2.gz JGKINOHOCVTVLY-UHFFFAOYSA-N 1 2 282.347 1.472 20 30 CDEDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(C#N)o1 ZINC000451927787 360231837 /nfs/dbraw/zinc/23/18/37/360231837.db2.gz CAXBXFZBXPAPSL-NSHDSACASA-N 1 2 297.380 1.256 20 30 CDEDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(C#N)o1 ZINC000451927787 360231844 /nfs/dbraw/zinc/23/18/44/360231844.db2.gz CAXBXFZBXPAPSL-NSHDSACASA-N 1 2 297.380 1.256 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000424656635 360330623 /nfs/dbraw/zinc/33/06/23/360330623.db2.gz YLRNFASLQIDODZ-STQMWFEESA-N 1 2 268.401 1.814 20 30 CDEDLO C=CCOc1ccc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)cc1 ZINC000428452447 360710840 /nfs/dbraw/zinc/71/08/40/360710840.db2.gz BLPAYTRGKSIRCS-ZDUSSCGKSA-N 1 2 274.364 1.914 20 30 CDEDLO C=CCOc1ccc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)cc1 ZINC000428452447 360710843 /nfs/dbraw/zinc/71/08/43/360710843.db2.gz BLPAYTRGKSIRCS-ZDUSSCGKSA-N 1 2 274.364 1.914 20 30 CDEDLO C[C@H](NC(=O)NCC1(CC#N)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000430583318 360935761 /nfs/dbraw/zinc/93/57/61/360935761.db2.gz XSAWSCGRIIZLHX-STQMWFEESA-N 1 2 294.399 1.089 20 30 CDEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](C)C#N ZINC000430503289 360929457 /nfs/dbraw/zinc/92/94/57/360929457.db2.gz KPCWHZBLEFZZTD-GFCCVEGCSA-N 1 2 262.357 1.844 20 30 CDEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000349696449 360931346 /nfs/dbraw/zinc/93/13/46/360931346.db2.gz UYCWULLSEFKPGC-CYBMUJFWSA-N 1 2 279.303 1.280 20 30 CDEDLO C=C(C)CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000335801488 360952733 /nfs/dbraw/zinc/95/27/33/360952733.db2.gz KJCVYYDFPLKXAF-OLZOCXBDSA-N 1 2 267.373 1.067 20 30 CDEDLO Cc1cc(F)c(CC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1F ZINC000564730103 360999210 /nfs/dbraw/zinc/99/92/10/360999210.db2.gz ACGWZCFCEOSLSR-OAHLLOKOSA-N 1 2 295.333 1.776 20 30 CDEDLO C=CCOCC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000628826362 361173103 /nfs/dbraw/zinc/17/31/03/361173103.db2.gz JQGKYPPWOYKYHD-UHFFFAOYSA-N 1 2 292.383 1.061 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccc(Cl)cc1 ZINC000562322924 361280343 /nfs/dbraw/zinc/28/03/43/361280343.db2.gz AIYZTGYYILQAJW-CQSZACIVSA-N 1 2 279.771 1.843 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)c1 ZINC000168535762 361269296 /nfs/dbraw/zinc/26/92/96/361269296.db2.gz GBBVHCUTULYXJZ-AWEZNQCLSA-N 1 2 255.321 1.365 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)c1 ZINC000168535762 361269299 /nfs/dbraw/zinc/26/92/99/361269299.db2.gz GBBVHCUTULYXJZ-AWEZNQCLSA-N 1 2 255.321 1.365 20 30 CDEDLO C#CC[NH+]1CCN(CN2C(=O)C[C@@H]2c2ccccc2)CC1 ZINC000054448189 361384997 /nfs/dbraw/zinc/38/49/97/361384997.db2.gz CNADXVYXRNCQMG-MRXNPFEDSA-N 1 2 283.375 1.168 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2C[C@H](O)C[C@H]2C)c(C#N)c1C ZINC000340912132 363789990 /nfs/dbraw/zinc/78/99/90/363789990.db2.gz PTBRMIFDOUFMPR-LDYMZIIASA-N 1 2 277.324 1.162 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2C)c(C#N)c1C ZINC000340912132 363789993 /nfs/dbraw/zinc/78/99/93/363789993.db2.gz PTBRMIFDOUFMPR-LDYMZIIASA-N 1 2 277.324 1.162 20 30 CDEDLO C=CCN(CCOC)C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000357176948 366810404 /nfs/dbraw/zinc/81/04/04/366810404.db2.gz LUJOTDVACIIYQC-HNNXBMFYSA-N 1 2 296.411 1.148 20 30 CDEDLO C=CCN(CCOC)C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000357176948 366810409 /nfs/dbraw/zinc/81/04/09/366810409.db2.gz LUJOTDVACIIYQC-HNNXBMFYSA-N 1 2 296.411 1.148 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccnc(C2CC2)c1 ZINC000329346540 361485508 /nfs/dbraw/zinc/48/55/08/361485508.db2.gz VFTRKHPYOSUCCX-GFCCVEGCSA-N 1 2 289.379 1.984 20 30 CDEDLO CC(C)[C@@H](C(=O)Nc1ncn(C)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000329347447 361485804 /nfs/dbraw/zinc/48/58/04/361485804.db2.gz DGVMAPZKGSWTIY-TUAOUCFPSA-N 1 2 295.387 1.537 20 30 CDEDLO CC(C)[C@@H](C(=O)Nc1ncn(C)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000329347447 361485808 /nfs/dbraw/zinc/48/58/08/361485808.db2.gz DGVMAPZKGSWTIY-TUAOUCFPSA-N 1 2 295.387 1.537 20 30 CDEDLO C[C@@H](C#N)OCC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000496476490 366835604 /nfs/dbraw/zinc/83/56/04/366835604.db2.gz QTKYUOAIDXQFNO-STQMWFEESA-N 1 2 297.399 1.856 20 30 CDEDLO C[C@@H](C#N)OCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000496476490 366835608 /nfs/dbraw/zinc/83/56/08/366835608.db2.gz QTKYUOAIDXQFNO-STQMWFEESA-N 1 2 297.399 1.856 20 30 CDEDLO C#CCN(CC#CC)C(=O)/C=C\c1[nH+]ccn1CC ZINC000490936062 364522784 /nfs/dbraw/zinc/52/27/84/364522784.db2.gz PEDANZPQDHVMGP-HJWRWDBZSA-N 1 2 255.321 1.401 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000161958589 364562179 /nfs/dbraw/zinc/56/21/79/364562179.db2.gz RVMPQAUALZOJDH-LBPRGKRZSA-N 1 2 295.408 1.671 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000161958589 364562182 /nfs/dbraw/zinc/56/21/82/364562182.db2.gz RVMPQAUALZOJDH-LBPRGKRZSA-N 1 2 295.408 1.671 20 30 CDEDLO C[N@H+](CCNC(=O)OC(C)(C)C)CC1(C#N)CC1 ZINC000496962904 366861014 /nfs/dbraw/zinc/86/10/14/366861014.db2.gz NCNCXGOGNJCHFJ-UHFFFAOYSA-N 1 2 253.346 1.747 20 30 CDEDLO C[N@@H+](CCNC(=O)OC(C)(C)C)CC1(C#N)CC1 ZINC000496962904 366861019 /nfs/dbraw/zinc/86/10/19/366861019.db2.gz NCNCXGOGNJCHFJ-UHFFFAOYSA-N 1 2 253.346 1.747 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COCc1ccccc1 ZINC000580144443 364709243 /nfs/dbraw/zinc/70/92/43/364709243.db2.gz NTIHUJSOPYKBRI-OAHLLOKOSA-N 1 2 275.352 1.163 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N[C@@H](C)CCC)nn1 ZINC000640909123 364732628 /nfs/dbraw/zinc/73/26/28/364732628.db2.gz NRUQBHIEBDOORH-QWHCGFSZSA-N 1 2 291.399 1.257 20 30 CDEDLO C[C@]1(C(N)=O)CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330002462 291347547 /nfs/dbraw/zinc/34/75/47/291347547.db2.gz YUOKVFDOJHAMGM-YGRLFVJLSA-N 1 2 291.355 1.359 20 30 CDEDLO Cn1cc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)cc1C#N ZINC000248813094 366879585 /nfs/dbraw/zinc/87/95/85/366879585.db2.gz CYGYAJXOBYOURV-ZIAGYGMSSA-N 1 2 272.352 1.140 20 30 CDEDLO Cn1cc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)cc1C#N ZINC000248813094 366879593 /nfs/dbraw/zinc/87/95/93/366879593.db2.gz CYGYAJXOBYOURV-ZIAGYGMSSA-N 1 2 272.352 1.140 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1ncn(C)n1 ZINC000275816257 193136826 /nfs/dbraw/zinc/13/68/26/193136826.db2.gz YJKHNMQKZAPTBO-NEPJUHHUSA-N 1 2 279.388 1.279 20 30 CDEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000271021495 366955382 /nfs/dbraw/zinc/95/53/82/366955382.db2.gz BDXVFQWIGSAXPF-UHFFFAOYSA-N 1 2 268.320 1.868 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H](C)C#N ZINC000357832830 367241633 /nfs/dbraw/zinc/24/16/33/367241633.db2.gz QVHFMILNRUBHKH-JTQLQIEISA-N 1 2 256.309 1.621 20 30 CDEDLO CC[N@H+](CCC#N)Cc1cc(=O)n2c(C)cccc2n1 ZINC000357956138 367331181 /nfs/dbraw/zinc/33/11/81/367331181.db2.gz GTQDEOPQOJWHQE-UHFFFAOYSA-N 1 2 270.336 1.739 20 30 CDEDLO CC[N@@H+](CCC#N)Cc1cc(=O)n2c(C)cccc2n1 ZINC000357956138 367331187 /nfs/dbraw/zinc/33/11/87/367331187.db2.gz GTQDEOPQOJWHQE-UHFFFAOYSA-N 1 2 270.336 1.739 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CSC[C@H](C)CC)CC1 ZINC000124310791 368212173 /nfs/dbraw/zinc/21/21/73/368212173.db2.gz NKLROBMSZUFXHB-CYBMUJFWSA-N 1 2 268.426 1.543 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1nnc(C)o1 ZINC000542615445 368795766 /nfs/dbraw/zinc/79/57/66/368795766.db2.gz FJDNRYGQLZTFFH-MNOVXSKESA-N 1 2 280.372 1.842 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000363101778 369130498 /nfs/dbraw/zinc/13/04/98/369130498.db2.gz CKVZHVDRJNUETF-ZIAGYGMSSA-N 1 2 266.385 1.664 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000363101778 369130504 /nfs/dbraw/zinc/13/05/04/369130504.db2.gz CKVZHVDRJNUETF-ZIAGYGMSSA-N 1 2 266.385 1.664 20 30 CDEDLO Cc1ccc(C#N)c(N[C@@H](C)C[NH+]2CCN(C)CC2)n1 ZINC000161330125 370212014 /nfs/dbraw/zinc/21/20/14/370212014.db2.gz UDGAXFHTDUXNOS-ZDUSSCGKSA-N 1 2 273.384 1.310 20 30 CDEDLO C=C(C)[C@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)OCC ZINC000565429400 370445653 /nfs/dbraw/zinc/44/56/53/370445653.db2.gz YRDQPQRWALTITC-GXTWGEPZSA-N 1 2 267.373 1.318 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](Cn3cncn3)C2)cc1 ZINC000331751537 204124234 /nfs/dbraw/zinc/12/42/34/204124234.db2.gz ZJBUDDOBXNPVIF-OAHLLOKOSA-N 1 2 283.335 1.051 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](Cn3cncn3)C2)cc1 ZINC000331751537 204124238 /nfs/dbraw/zinc/12/42/38/204124238.db2.gz ZJBUDDOBXNPVIF-OAHLLOKOSA-N 1 2 283.335 1.051 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000331710396 204094865 /nfs/dbraw/zinc/09/48/65/204094865.db2.gz CQNLQBXGZRYBKW-CJNGLKHVSA-N 1 2 297.362 1.612 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000331710396 204094871 /nfs/dbraw/zinc/09/48/71/204094871.db2.gz CQNLQBXGZRYBKW-CJNGLKHVSA-N 1 2 297.362 1.612 20 30 CDEDLO CC1(C#N)C[NH+](CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000568168420 371206820 /nfs/dbraw/zinc/20/68/20/371206820.db2.gz HPCXOVIFWPHDHI-UHFFFAOYSA-N 1 2 297.358 1.908 20 30 CDEDLO C[C@H]1CCN(C(=O)NCC2(C#N)CC2)C[C@H]1n1cc[nH+]c1 ZINC000573543666 371573719 /nfs/dbraw/zinc/57/37/19/371573719.db2.gz XOSXLKLLASHPKT-QWHCGFSZSA-N 1 2 287.367 1.779 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCNC(=O)[C@H]1c1cccc(C)c1 ZINC000579004341 372550314 /nfs/dbraw/zinc/55/03/14/372550314.db2.gz HNAGDPAARGMVLR-JKSUJKDBSA-N 1 2 288.391 1.795 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCNC(=O)[C@H]1c1cccc(C)c1 ZINC000579004341 372550325 /nfs/dbraw/zinc/55/03/25/372550325.db2.gz HNAGDPAARGMVLR-JKSUJKDBSA-N 1 2 288.391 1.795 20 30 CDEDLO CC#CC[NH2+][C@H](CS(C)(=O)=O)c1ccccc1 ZINC000181783905 372581844 /nfs/dbraw/zinc/58/18/44/372581844.db2.gz QKZWPJVGSNASTD-CYBMUJFWSA-N 1 2 251.351 1.385 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)c1ccc(C#N)[nH]1 ZINC000348271316 373098267 /nfs/dbraw/zinc/09/82/67/373098267.db2.gz IDYUJWMTVCVBSL-UHFFFAOYSA-N 1 2 256.265 1.220 20 30 CDEDLO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000356332400 373841023 /nfs/dbraw/zinc/84/10/23/373841023.db2.gz GGMOLIARPSYNFT-UWVGGRQHSA-N 1 2 251.355 1.608 20 30 CDEDLO C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000356332400 373841025 /nfs/dbraw/zinc/84/10/25/373841025.db2.gz GGMOLIARPSYNFT-UWVGGRQHSA-N 1 2 251.355 1.608 20 30 CDEDLO COC(=O)[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)C[C@@H]1C ZINC000356423299 373846594 /nfs/dbraw/zinc/84/65/94/373846594.db2.gz KTWBSPNZKNFEOD-GXSJLCMTSA-N 1 2 279.365 1.646 20 30 CDEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)C[C@@H]1C ZINC000356423299 373846598 /nfs/dbraw/zinc/84/65/98/373846598.db2.gz KTWBSPNZKNFEOD-GXSJLCMTSA-N 1 2 279.365 1.646 20 30 CDEDLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361832238 374053704 /nfs/dbraw/zinc/05/37/04/374053704.db2.gz ZSUODPNCMBDHAD-GWCFXTLKSA-N 1 2 264.300 1.279 20 30 CDEDLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361832238 374053706 /nfs/dbraw/zinc/05/37/06/374053706.db2.gz ZSUODPNCMBDHAD-GWCFXTLKSA-N 1 2 264.300 1.279 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000274106896 374111043 /nfs/dbraw/zinc/11/10/43/374111043.db2.gz YVPPRQCJIRXFLC-HNNXBMFYSA-N 1 2 284.363 1.594 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000274106896 374111049 /nfs/dbraw/zinc/11/10/49/374111049.db2.gz YVPPRQCJIRXFLC-HNNXBMFYSA-N 1 2 284.363 1.594 20 30 CDEDLO C=CCCN(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000342384970 374166386 /nfs/dbraw/zinc/16/63/86/374166386.db2.gz ZGYPCPLRBMUUAL-UHFFFAOYSA-N 1 2 269.389 1.315 20 30 CDEDLO COC[C@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000112985692 374236546 /nfs/dbraw/zinc/23/65/46/374236546.db2.gz OGJQFKDOAPNNIG-NSHDSACASA-N 1 2 293.392 1.917 20 30 CDEDLO COC[C@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000112985692 374236551 /nfs/dbraw/zinc/23/65/51/374236551.db2.gz OGJQFKDOAPNNIG-NSHDSACASA-N 1 2 293.392 1.917 20 30 CDEDLO CC[C@@](C)([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C(=O)OC ZINC000293339439 374356625 /nfs/dbraw/zinc/35/66/25/374356625.db2.gz XESHBTHRPNXFJA-UKRRQHHQSA-N 1 2 276.336 1.523 20 30 CDEDLO Cc1nnc(N2CCN(Cc3[nH]cc[nH+]3)CC2)c(C#N)c1C ZINC000352926579 374456745 /nfs/dbraw/zinc/45/67/45/374456745.db2.gz WNLHLEZCCKCGIJ-UHFFFAOYSA-N 1 2 297.366 1.010 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000375946970 374524558 /nfs/dbraw/zinc/52/45/58/374524558.db2.gz JMRZPEBOCYAGTJ-ODXCJYRJSA-N 1 2 292.404 1.767 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000375946970 374524569 /nfs/dbraw/zinc/52/45/69/374524569.db2.gz JMRZPEBOCYAGTJ-ODXCJYRJSA-N 1 2 292.404 1.767 20 30 CDEDLO CC(C)C(=O)N1CCC[N@H+](C[C@H](C#N)CCC#N)CC1 ZINC000112560340 374499811 /nfs/dbraw/zinc/49/98/11/374499811.db2.gz GWWCUHXUOLOBMU-AWEZNQCLSA-N 1 2 276.384 1.620 20 30 CDEDLO CC(C)C(=O)N1CCC[N@@H+](C[C@H](C#N)CCC#N)CC1 ZINC000112560340 374499817 /nfs/dbraw/zinc/49/98/17/374499817.db2.gz GWWCUHXUOLOBMU-AWEZNQCLSA-N 1 2 276.384 1.620 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000378360503 374642444 /nfs/dbraw/zinc/64/24/44/374642444.db2.gz CIDRFRBBMFMFSN-LLVKDONJSA-N 1 2 273.336 1.277 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCNC(=O)C[C@H]1C ZINC000378360503 374642450 /nfs/dbraw/zinc/64/24/50/374642450.db2.gz CIDRFRBBMFMFSN-LLVKDONJSA-N 1 2 273.336 1.277 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)Cc1ccc(C#N)cc1 ZINC000070159005 374652927 /nfs/dbraw/zinc/65/29/27/374652927.db2.gz IJVLYYQDIPEDHJ-UHFFFAOYSA-N 1 2 268.320 1.493 20 30 CDEDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C#N)s1 ZINC000131461848 375267152 /nfs/dbraw/zinc/26/71/52/375267152.db2.gz GJVRJYRCIRKHST-GFCCVEGCSA-N 1 2 263.366 1.576 20 30 CDEDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000131461848 375267157 /nfs/dbraw/zinc/26/71/57/375267157.db2.gz GJVRJYRCIRKHST-GFCCVEGCSA-N 1 2 263.366 1.576 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000049001060 375390810 /nfs/dbraw/zinc/39/08/10/375390810.db2.gz KXWXGRNUZSZUHW-SNVBAGLBSA-N 1 2 290.754 1.939 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000049001060 375390816 /nfs/dbraw/zinc/39/08/16/375390816.db2.gz KXWXGRNUZSZUHW-SNVBAGLBSA-N 1 2 290.754 1.939 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@@H](C(=O)OC)C2)c1 ZINC000131693507 375441494 /nfs/dbraw/zinc/44/14/94/375441494.db2.gz DPPVEANBKUVDGF-OAHLLOKOSA-N 1 2 291.347 1.625 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2CCO[C@@H](C(=O)OC)C2)c1 ZINC000131693507 375441495 /nfs/dbraw/zinc/44/14/95/375441495.db2.gz DPPVEANBKUVDGF-OAHLLOKOSA-N 1 2 291.347 1.625 20 30 CDEDLO C#CCOc1ccc(CN2CCc3c([nH+]cn3C)C2)cc1 ZINC000359977149 375489676 /nfs/dbraw/zinc/48/96/76/375489676.db2.gz VTZNCXPFNWRPBG-UHFFFAOYSA-N 1 2 281.359 1.990 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCc3c(ncn3C)C2)cc1 ZINC000359977149 375489681 /nfs/dbraw/zinc/48/96/81/375489681.db2.gz VTZNCXPFNWRPBG-UHFFFAOYSA-N 1 2 281.359 1.990 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCc3c(ncn3C)C2)cc1 ZINC000359977149 375489683 /nfs/dbraw/zinc/48/96/83/375489683.db2.gz VTZNCXPFNWRPBG-UHFFFAOYSA-N 1 2 281.359 1.990 20 30 CDEDLO N#Cc1c(F)cccc1C(=O)NCCNc1cccc[nH+]1 ZINC000428940499 247383425 /nfs/dbraw/zinc/38/34/25/247383425.db2.gz QMVWIYKQKZQGNN-UHFFFAOYSA-N 1 2 284.294 1.934 20 30 CDEDLO CC1(C)SC[C@@H]1[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000328751058 375944584 /nfs/dbraw/zinc/94/45/84/375944584.db2.gz QUNGFBSHGRXXCG-ZJUUUORDSA-N 1 2 280.397 1.596 20 30 CDEDLO CC1(C)SC[C@@H]1NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000328751058 375944586 /nfs/dbraw/zinc/94/45/86/375944586.db2.gz QUNGFBSHGRXXCG-ZJUUUORDSA-N 1 2 280.397 1.596 20 30 CDEDLO C[C@@H]1C[C@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)CCC1=O ZINC000328940121 376013745 /nfs/dbraw/zinc/01/37/45/376013745.db2.gz HLKPEEWFHBLHAY-IJLUTSLNSA-N 1 2 268.357 1.279 20 30 CDEDLO C[C@@H]1C[C@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCC1=O ZINC000328940121 376013749 /nfs/dbraw/zinc/01/37/49/376013749.db2.gz HLKPEEWFHBLHAY-IJLUTSLNSA-N 1 2 268.357 1.279 20 30 CDEDLO C=CCC[C@@H]1NC(=O)N(Cc2cn3ccccc3[nH+]2)C1=O ZINC000419921463 376174327 /nfs/dbraw/zinc/17/43/27/376174327.db2.gz IFVDKKWGBAVBOE-LBPRGKRZSA-N 1 2 284.319 1.721 20 30 CDEDLO C=CCN(Cc1[nH+]ccn1C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000264544806 190117330 /nfs/dbraw/zinc/11/73/30/190117330.db2.gz JEFRBGUWNFOVCU-CYBMUJFWSA-N 1 2 297.424 1.639 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000249902590 377483855 /nfs/dbraw/zinc/48/38/55/377483855.db2.gz UEIYGDLRMMTVFB-KGLIPLIRSA-N 1 2 298.394 1.847 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000249902590 377483860 /nfs/dbraw/zinc/48/38/60/377483860.db2.gz UEIYGDLRMMTVFB-KGLIPLIRSA-N 1 2 298.394 1.847 20 30 CDEDLO CC#CCNC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000190633445 377888249 /nfs/dbraw/zinc/88/82/49/377888249.db2.gz SEAFSVAPUPOBGG-UHFFFAOYSA-N 1 2 276.384 1.890 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cc(OC)ccc1OCOC ZINC000093475558 378078447 /nfs/dbraw/zinc/07/84/47/378078447.db2.gz GCNCRHQRIIFYOZ-UHFFFAOYSA-N 1 2 273.332 1.746 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000192231650 378177635 /nfs/dbraw/zinc/17/76/35/378177635.db2.gz IJLGDXONPRDQDP-UHFFFAOYSA-N 1 2 273.361 1.824 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000192231650 378177639 /nfs/dbraw/zinc/17/76/39/378177639.db2.gz IJLGDXONPRDQDP-UHFFFAOYSA-N 1 2 273.361 1.824 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000289700725 378345003 /nfs/dbraw/zinc/34/50/03/378345003.db2.gz NNAWNEYLPFIIBH-CQSZACIVSA-N 1 2 263.362 1.287 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000289700725 378345005 /nfs/dbraw/zinc/34/50/05/378345005.db2.gz NNAWNEYLPFIIBH-CQSZACIVSA-N 1 2 263.362 1.287 20 30 CDEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000293151181 378541643 /nfs/dbraw/zinc/54/16/43/378541643.db2.gz OCOFMGTXXXSFKD-GFCCVEGCSA-N 1 2 290.363 1.986 20 30 CDEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000293151181 378541650 /nfs/dbraw/zinc/54/16/50/378541650.db2.gz OCOFMGTXXXSFKD-GFCCVEGCSA-N 1 2 290.363 1.986 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1cc(C(=O)OC)ccc1C ZINC000293027821 378545027 /nfs/dbraw/zinc/54/50/27/378545027.db2.gz GACCIPBTVDBMJA-UHFFFAOYSA-N 1 2 288.347 1.675 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1cc(C(=O)OC)ccc1C ZINC000293027821 378545030 /nfs/dbraw/zinc/54/50/30/378545030.db2.gz GACCIPBTVDBMJA-UHFFFAOYSA-N 1 2 288.347 1.675 20 30 CDEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000293221839 378561673 /nfs/dbraw/zinc/56/16/73/378561673.db2.gz RSRCVMQTMDCYJG-NSHDSACASA-N 1 2 275.308 1.877 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000293221839 378561678 /nfs/dbraw/zinc/56/16/78/378561678.db2.gz RSRCVMQTMDCYJG-NSHDSACASA-N 1 2 275.308 1.877 20 30 CDEDLO CC#CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000293357055 378568835 /nfs/dbraw/zinc/56/88/35/378568835.db2.gz ZPLMYFIHTZFJDO-UHFFFAOYSA-N 1 2 263.253 1.958 20 30 CDEDLO CC#CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000293357055 378568840 /nfs/dbraw/zinc/56/88/40/378568840.db2.gz ZPLMYFIHTZFJDO-UHFFFAOYSA-N 1 2 263.253 1.958 20 30 CDEDLO C=CCNc1ncc(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)s1 ZINC000295656188 378690073 /nfs/dbraw/zinc/69/00/73/378690073.db2.gz SBYUHCAXSHFOOV-PHIMTYICSA-N 1 2 294.424 1.906 20 30 CDEDLO C=CCNc1ncc(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)s1 ZINC000295656188 378690077 /nfs/dbraw/zinc/69/00/77/378690077.db2.gz SBYUHCAXSHFOOV-PHIMTYICSA-N 1 2 294.424 1.906 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000343533166 378923316 /nfs/dbraw/zinc/92/33/16/378923316.db2.gz PXWVAZFCPIDHSV-KGLIPLIRSA-N 1 2 267.417 1.483 20 30 CDEDLO Cc1cc(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)ncc1C#N ZINC000457810151 252517908 /nfs/dbraw/zinc/51/79/08/252517908.db2.gz REKFZJIAMVJXAJ-AWEZNQCLSA-N 1 2 295.346 1.876 20 30 CDEDLO C=CC1CCN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000334556368 378989018 /nfs/dbraw/zinc/98/90/18/378989018.db2.gz OIAZSSMFBTVQIU-UHFFFAOYSA-N 1 2 298.346 1.697 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000266946355 190292273 /nfs/dbraw/zinc/29/22/73/190292273.db2.gz SLMNMVSBFRQCKR-UHFFFAOYSA-N 1 2 274.320 1.367 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000266946355 190292274 /nfs/dbraw/zinc/29/22/74/190292274.db2.gz SLMNMVSBFRQCKR-UHFFFAOYSA-N 1 2 274.320 1.367 20 30 CDEDLO COC(=O)C[C@H]1C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000267707002 190348791 /nfs/dbraw/zinc/34/87/91/190348791.db2.gz VTIVAUCKIIGJCW-WFASDCNBSA-N 1 2 288.347 1.883 20 30 CDEDLO COC(=O)C[C@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000267707002 190348792 /nfs/dbraw/zinc/34/87/92/190348792.db2.gz VTIVAUCKIIGJCW-WFASDCNBSA-N 1 2 288.347 1.883 20 30 CDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000329068125 296321420 /nfs/dbraw/zinc/32/14/20/296321420.db2.gz XJCOLKJCQRLARN-RDBSUJKOSA-N 1 2 293.411 1.828 20 30 CDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000329068125 296321422 /nfs/dbraw/zinc/32/14/22/296321422.db2.gz XJCOLKJCQRLARN-RDBSUJKOSA-N 1 2 293.411 1.828 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cccc(O)c2OC)C1=O ZINC000281109860 195108142 /nfs/dbraw/zinc/10/81/42/195108142.db2.gz BFMYBBHIARSLPY-ZDUSSCGKSA-N 1 2 290.363 1.620 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cccc(O)c2OC)C1=O ZINC000281109860 195108144 /nfs/dbraw/zinc/10/81/44/195108144.db2.gz BFMYBBHIARSLPY-ZDUSSCGKSA-N 1 2 290.363 1.620 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1nnc(CC(C)C)s1 ZINC000281124198 195112667 /nfs/dbraw/zinc/11/26/67/195112667.db2.gz XWFKXVPYZYPKEW-UHFFFAOYSA-N 1 2 280.397 1.630 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1nnc(CC(C)C)s1 ZINC000281124198 195112668 /nfs/dbraw/zinc/11/26/68/195112668.db2.gz XWFKXVPYZYPKEW-UHFFFAOYSA-N 1 2 280.397 1.630 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(C)nc(C)n2)C1=O ZINC000660465559 413012944 /nfs/dbraw/zinc/01/29/44/413012944.db2.gz ZXHDLVLZCCCCBL-AWEZNQCLSA-N 1 2 274.368 1.312 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(C)nc(C)n2)C1=O ZINC000660465559 413012952 /nfs/dbraw/zinc/01/29/52/413012952.db2.gz ZXHDLVLZCCCCBL-AWEZNQCLSA-N 1 2 274.368 1.312 20 30 CDEDLO O=C(Nc1nnc2n1CCCC2)[C@H]1CCn2c[nH+]cc2C1 ZINC000329335186 285231155 /nfs/dbraw/zinc/23/11/55/285231155.db2.gz LCAXCGDQJQNFOY-JTQLQIEISA-N 1 2 286.339 1.662 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](CC(=O)OC)[C@H](C)CC)C1=O ZINC000281239353 195162027 /nfs/dbraw/zinc/16/20/27/195162027.db2.gz GAWZXXAVSUCJFS-VXGBXAGGSA-N 1 2 268.357 1.047 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](CC(=O)OC)[C@H](C)CC)C1=O ZINC000281239353 195162030 /nfs/dbraw/zinc/16/20/30/195162030.db2.gz GAWZXXAVSUCJFS-VXGBXAGGSA-N 1 2 268.357 1.047 20 30 CDEDLO COC(=O)C[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000179394219 260045231 /nfs/dbraw/zinc/04/52/31/260045231.db2.gz CBIYHRGTFRPHEN-UHFFFAOYSA-N 1 2 276.336 1.974 20 30 CDEDLO COC(=O)C[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000179394219 260045235 /nfs/dbraw/zinc/04/52/35/260045235.db2.gz CBIYHRGTFRPHEN-UHFFFAOYSA-N 1 2 276.336 1.974 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)NCCCn1cc[nH+]c1 ZINC000281763302 195370012 /nfs/dbraw/zinc/37/00/12/195370012.db2.gz KKYYFAZUMGNGLR-UHFFFAOYSA-N 1 2 258.281 1.476 20 30 CDEDLO N#Cc1ccc(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1F ZINC000335491215 390655004 /nfs/dbraw/zinc/65/50/04/390655004.db2.gz MAZYLBRKRXGSOZ-ZDUSSCGKSA-N 1 2 298.321 1.773 20 30 CDEDLO C=C(CC)C[N@@H+]1CCC[C@@H](C(=O)OC)[C@H]1C(=O)OC ZINC000358615482 390800180 /nfs/dbraw/zinc/80/01/80/390800180.db2.gz DKOBTTSRHQGKLA-NEPJUHHUSA-N 1 2 269.341 1.379 20 30 CDEDLO C=C(CC)C[N@H+]1CCC[C@@H](C(=O)OC)[C@H]1C(=O)OC ZINC000358615482 390800184 /nfs/dbraw/zinc/80/01/84/390800184.db2.gz DKOBTTSRHQGKLA-NEPJUHHUSA-N 1 2 269.341 1.379 20 30 CDEDLO CC(C)(C#N)CC[N@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000119645181 390854564 /nfs/dbraw/zinc/85/45/64/390854564.db2.gz YQPZIZOSHHXRQH-GFCCVEGCSA-N 1 2 270.398 1.578 20 30 CDEDLO CC(C)(C#N)CC[N@@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000119645181 390854566 /nfs/dbraw/zinc/85/45/66/390854566.db2.gz YQPZIZOSHHXRQH-GFCCVEGCSA-N 1 2 270.398 1.578 20 30 CDEDLO N#CC1(C(=O)N2CCC(n3cc[nH+]c3)CC2)CCC1 ZINC000134728179 390939412 /nfs/dbraw/zinc/93/94/12/390939412.db2.gz KXSIAOUKLGYNNC-UHFFFAOYSA-N 1 2 258.325 1.740 20 30 CDEDLO C[C@H](NC(=O)[C@H](C)O[NH+]=C(N)CCO)c1ccc(F)cc1 ZINC000121341565 390883965 /nfs/dbraw/zinc/88/39/65/390883965.db2.gz CIMBVWDJALKPJP-UWVGGRQHSA-N 1 2 297.330 1.063 20 30 CDEDLO C=CCCCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000175764945 391140721 /nfs/dbraw/zinc/14/07/21/391140721.db2.gz YQXDTWXEIZSRNK-UHFFFAOYSA-N 1 2 279.384 1.417 20 30 CDEDLO CCS(=O)(=O)CCCCC[NH+]1CCC(F)(C#N)CC1 ZINC000352451100 391142203 /nfs/dbraw/zinc/14/22/03/391142203.db2.gz VDXQXTAKTKWCJK-UHFFFAOYSA-N 1 2 290.404 1.919 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](c3ccn[nH]3)C2)C1=O ZINC000374102787 391146914 /nfs/dbraw/zinc/14/69/14/391146914.db2.gz VNAKIIHYVZCBFP-JSGCOSHPSA-N 1 2 274.368 1.376 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](c3ccn[nH]3)C2)C1=O ZINC000374102787 391146917 /nfs/dbraw/zinc/14/69/17/391146917.db2.gz VNAKIIHYVZCBFP-JSGCOSHPSA-N 1 2 274.368 1.376 20 30 CDEDLO N#CC1(F)CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000352484905 391155151 /nfs/dbraw/zinc/15/51/51/391155151.db2.gz VFOVAZAUJQWELM-UHFFFAOYSA-N 1 2 275.327 1.630 20 30 CDEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(C)(C)C#N)CC1 ZINC000265221174 391152714 /nfs/dbraw/zinc/15/27/14/391152714.db2.gz GJPGQEQWXBWQDF-CYBMUJFWSA-N 1 2 286.379 1.837 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)c1 ZINC000495800652 391166848 /nfs/dbraw/zinc/16/68/48/391166848.db2.gz NBUDROXYIISFJA-ZDUSSCGKSA-N 1 2 289.310 1.724 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)c1 ZINC000495800652 391166851 /nfs/dbraw/zinc/16/68/51/391166851.db2.gz NBUDROXYIISFJA-ZDUSSCGKSA-N 1 2 289.310 1.724 20 30 CDEDLO N#C[C@H]1COCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000266112493 391169343 /nfs/dbraw/zinc/16/93/43/391169343.db2.gz TXEHTQUIDTXQBC-HNNXBMFYSA-N 1 2 296.330 1.296 20 30 CDEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000267208332 391189984 /nfs/dbraw/zinc/18/99/84/391189984.db2.gz PYYLKSOUNBVFAD-GFCCVEGCSA-N 1 2 288.351 1.959 20 30 CDEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000267208332 391189987 /nfs/dbraw/zinc/18/99/87/391189987.db2.gz PYYLKSOUNBVFAD-GFCCVEGCSA-N 1 2 288.351 1.959 20 30 CDEDLO C[C@H](CC#N)NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000352747349 533609912 /nfs/dbraw/zinc/60/99/12/533609912.db2.gz BSBOKVJFKAPGEZ-LLVKDONJSA-N 1 2 284.323 1.750 20 30 CDEDLO Cc1nnc([C@H]2CCC[N@H+](C[C@@H](C#N)CCC#N)C2)[nH]1 ZINC000268471697 391217259 /nfs/dbraw/zinc/21/72/59/391217259.db2.gz MNONKIIGJACXBC-OLZOCXBDSA-N 1 2 272.356 1.736 20 30 CDEDLO Cc1nnc([C@H]2CCC[N@@H+](C[C@@H](C#N)CCC#N)C2)[nH]1 ZINC000268471697 391217260 /nfs/dbraw/zinc/21/72/60/391217260.db2.gz MNONKIIGJACXBC-OLZOCXBDSA-N 1 2 272.356 1.736 20 30 CDEDLO Cc1n[nH]c([C@H]2CCC[N@H+](C[C@@H](C#N)CCC#N)C2)n1 ZINC000268471697 391217262 /nfs/dbraw/zinc/21/72/62/391217262.db2.gz MNONKIIGJACXBC-OLZOCXBDSA-N 1 2 272.356 1.736 20 30 CDEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](C[C@@H](C#N)CCC#N)C2)n1 ZINC000268471697 391217263 /nfs/dbraw/zinc/21/72/63/391217263.db2.gz MNONKIIGJACXBC-OLZOCXBDSA-N 1 2 272.356 1.736 20 30 CDEDLO Cn1c[nH+]cc1CON=C(N)[C@@H]1COc2ccccc2O1 ZINC000268744437 391223243 /nfs/dbraw/zinc/22/32/43/391223243.db2.gz ZWOULJBMHZZQSR-ZDUSSCGKSA-N 1 2 288.307 1.049 20 30 CDEDLO C=CCOCC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000345496089 391233461 /nfs/dbraw/zinc/23/34/61/391233461.db2.gz YJUYAINTWWTULG-ZDUSSCGKSA-N 1 2 262.309 1.264 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)[C@@H]2COC[C@@H]2O)c1C ZINC000352816681 391204896 /nfs/dbraw/zinc/20/48/96/391204896.db2.gz PPHYVMUIXYBEHV-ZBFHGGJFSA-N 1 2 292.379 1.165 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@@H]2COC[C@@H]2O)c1C ZINC000352816681 391204901 /nfs/dbraw/zinc/20/49/01/391204901.db2.gz PPHYVMUIXYBEHV-ZBFHGGJFSA-N 1 2 292.379 1.165 20 30 CDEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000331831195 391214361 /nfs/dbraw/zinc/21/43/61/391214361.db2.gz JOBLSGZTIMGGPK-UXIGCNINSA-N 1 2 279.384 1.294 20 30 CDEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000331831195 391214365 /nfs/dbraw/zinc/21/43/65/391214365.db2.gz JOBLSGZTIMGGPK-UXIGCNINSA-N 1 2 279.384 1.294 20 30 CDEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](CCC#N)[C@@H]2C1 ZINC000366380383 391303825 /nfs/dbraw/zinc/30/38/25/391303825.db2.gz SJRXYMDLDKQYJE-NWDGAFQWSA-N 1 2 265.357 1.841 20 30 CDEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](CCC#N)[C@@H]2C1 ZINC000366380383 391303826 /nfs/dbraw/zinc/30/38/26/391303826.db2.gz SJRXYMDLDKQYJE-NWDGAFQWSA-N 1 2 265.357 1.841 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000345823682 391318315 /nfs/dbraw/zinc/31/83/15/391318315.db2.gz XUYJBAVSBMHWIU-TUAOUCFPSA-N 1 2 265.357 1.047 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000345823682 391318317 /nfs/dbraw/zinc/31/83/17/391318317.db2.gz XUYJBAVSBMHWIU-TUAOUCFPSA-N 1 2 265.357 1.047 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1cccnc1 ZINC000346413819 391350360 /nfs/dbraw/zinc/35/03/60/391350360.db2.gz OXIFXPKMEUACCP-GFCCVEGCSA-N 1 2 272.352 1.464 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1cccnc1 ZINC000346413819 391350363 /nfs/dbraw/zinc/35/03/63/391350363.db2.gz OXIFXPKMEUACCP-GFCCVEGCSA-N 1 2 272.352 1.464 20 30 CDEDLO C=CC1CCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)CC1 ZINC000110595485 391357409 /nfs/dbraw/zinc/35/74/09/391357409.db2.gz DGQVAKRMRLKPJL-AWEZNQCLSA-N 1 2 288.395 1.840 20 30 CDEDLO C=CC1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000110595485 391357411 /nfs/dbraw/zinc/35/74/11/391357411.db2.gz DGQVAKRMRLKPJL-AWEZNQCLSA-N 1 2 288.395 1.840 20 30 CDEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1CC(=O)NCC1CC1 ZINC000328973954 391401480 /nfs/dbraw/zinc/40/14/80/391401480.db2.gz PMKSLILXRDFZKV-RBSFLKMASA-N 1 2 296.411 1.869 20 30 CDEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1CC(=O)NCC1CC1 ZINC000328973954 391401481 /nfs/dbraw/zinc/40/14/81/391401481.db2.gz PMKSLILXRDFZKV-RBSFLKMASA-N 1 2 296.411 1.869 20 30 CDEDLO C=CCC[C@@H](O)C[NH2+][C@H](C(=O)OCC)C1CCOCC1 ZINC000348780521 391455763 /nfs/dbraw/zinc/45/57/63/391455763.db2.gz ZUVXZZBWUCQUAJ-KGLIPLIRSA-N 1 2 285.384 1.261 20 30 CDEDLO Cc1ccoc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330623729 391461337 /nfs/dbraw/zinc/46/13/37/391461337.db2.gz QCMJTXCUTREWOE-LLVKDONJSA-N 1 2 252.314 1.613 20 30 CDEDLO Cc1ccoc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330623729 391461340 /nfs/dbraw/zinc/46/13/40/391461340.db2.gz QCMJTXCUTREWOE-LLVKDONJSA-N 1 2 252.314 1.613 20 30 CDEDLO N#C[C@@]1(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCOC1 ZINC000358442761 391551781 /nfs/dbraw/zinc/55/17/81/391551781.db2.gz JLNGFOCMXHJKLI-HNNXBMFYSA-N 1 2 282.303 1.285 20 30 CDEDLO N#CCSCC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360009596 391632734 /nfs/dbraw/zinc/63/27/34/391632734.db2.gz HXAHUIIMNJGPBB-UHFFFAOYSA-N 1 2 286.360 1.745 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2C(=O)OCC)C1=O ZINC000282016056 391668785 /nfs/dbraw/zinc/66/87/85/391668785.db2.gz OVXJRIPVNFBMRM-CHWSQXEVSA-N 1 2 280.368 1.191 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2C(=O)OCC)C1=O ZINC000282016056 391668786 /nfs/dbraw/zinc/66/87/86/391668786.db2.gz OVXJRIPVNFBMRM-CHWSQXEVSA-N 1 2 280.368 1.191 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](CC(=O)OCC)CC(C)C)C1=O ZINC000281912191 391674323 /nfs/dbraw/zinc/67/43/23/391674323.db2.gz GODAMTIDDULMGR-ZDUSSCGKSA-N 1 2 282.384 1.294 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](CC(=O)OCC)CC(C)C)C1=O ZINC000281912191 391674326 /nfs/dbraw/zinc/67/43/26/391674326.db2.gz GODAMTIDDULMGR-ZDUSSCGKSA-N 1 2 282.384 1.294 20 30 CDEDLO C=CCOC[C@@H]([NH2+]CC1(OC)CCCCC1)C(=O)OC ZINC000361109071 391682431 /nfs/dbraw/zinc/68/24/31/391682431.db2.gz DTEKFFQAKVWYDK-CYBMUJFWSA-N 1 2 285.384 1.670 20 30 CDEDLO N#CCC1(CNC(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000362355828 391720167 /nfs/dbraw/zinc/72/01/67/391720167.db2.gz HJYPNMNYJOPSSL-UHFFFAOYSA-N 1 2 283.335 1.827 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@H](C)c1c(F)cncc1F ZINC000285850639 391721258 /nfs/dbraw/zinc/72/12/58/391721258.db2.gz XBIQRLLGTJNHIS-MRVPVSSYSA-N 1 2 255.268 1.313 20 30 CDEDLO C[C@@H]1OCC[C@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000329911929 391798805 /nfs/dbraw/zinc/79/88/05/391798805.db2.gz OBWHGWYYIIFPRC-NWDGAFQWSA-N 1 2 268.357 1.233 20 30 CDEDLO O=C(CN1CCC[C@@H](c2[nH]cc[nH+]2)C1)NC(=O)NC1CC1 ZINC000329921023 391799648 /nfs/dbraw/zinc/79/96/48/391799648.db2.gz FJIGSHNTHURBBZ-SNVBAGLBSA-N 1 2 291.355 1.622 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2coc(C3CCCC3)n2)C1 ZINC000329953193 391805144 /nfs/dbraw/zinc/80/51/44/391805144.db2.gz NQQZFFXUXBVCJU-LBPRGKRZSA-N 1 2 293.367 1.967 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2coc(C3CCCC3)n2)C1 ZINC000329953193 391805146 /nfs/dbraw/zinc/80/51/46/391805146.db2.gz NQQZFFXUXBVCJU-LBPRGKRZSA-N 1 2 293.367 1.967 20 30 CDEDLO C=CC[N@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000334243105 392039416 /nfs/dbraw/zinc/03/94/16/392039416.db2.gz XYEYVRUFNVCIBV-UHFFFAOYSA-N 1 2 266.366 1.454 20 30 CDEDLO C=CC[N@@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000334243105 392039424 /nfs/dbraw/zinc/03/94/24/392039424.db2.gz XYEYVRUFNVCIBV-UHFFFAOYSA-N 1 2 266.366 1.454 20 30 CDEDLO C=C[C@H](C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000345230895 392151541 /nfs/dbraw/zinc/15/15/41/392151541.db2.gz DTOXBFLBNUAYLH-XQQFMLRXSA-N 1 2 267.373 1.066 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000448621067 392127724 /nfs/dbraw/zinc/12/77/24/392127724.db2.gz IKHNAXHWMSDARQ-LBPRGKRZSA-N 1 2 293.411 1.010 20 30 CDEDLO C=CC[N@@H+](CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 ZINC000645827546 392178817 /nfs/dbraw/zinc/17/88/17/392178817.db2.gz MQLOCHZIQYFLSD-HNNXBMFYSA-N 1 2 294.420 1.608 20 30 CDEDLO C=CC[N@H+](CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 ZINC000645827546 392178819 /nfs/dbraw/zinc/17/88/19/392178819.db2.gz MQLOCHZIQYFLSD-HNNXBMFYSA-N 1 2 294.420 1.608 20 30 CDEDLO Cc1c(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cnn1C ZINC000459621490 392493783 /nfs/dbraw/zinc/49/37/83/392493783.db2.gz WUXWHYCDKYSYOR-UHFFFAOYSA-N 1 2 282.347 1.863 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1nc(CC)c(C)s1 ZINC000491668460 392566891 /nfs/dbraw/zinc/56/68/91/392566891.db2.gz WDQKBUVNCUPQEF-VIFPVBQESA-N 1 2 265.382 1.906 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1nc(CC)c(C)s1 ZINC000491668460 392566896 /nfs/dbraw/zinc/56/68/96/392566896.db2.gz WDQKBUVNCUPQEF-VIFPVBQESA-N 1 2 265.382 1.906 20 30 CDEDLO N#CC1(C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)CCC1 ZINC000450481991 392939144 /nfs/dbraw/zinc/93/91/44/392939144.db2.gz GAHYRGZOFSQVNA-JTQLQIEISA-N 1 2 280.290 1.288 20 30 CDEDLO N#CC1(C[N@H+](CCC(F)(F)F)C[C@H](O)CO)CCC1 ZINC000450481991 392939148 /nfs/dbraw/zinc/93/91/48/392939148.db2.gz GAHYRGZOFSQVNA-JTQLQIEISA-N 1 2 280.290 1.288 20 30 CDEDLO CC#CC[C@H](CO)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000649189284 392975854 /nfs/dbraw/zinc/97/58/54/392975854.db2.gz BVUNXISAHQWKEA-MRXNPFEDSA-N 1 2 297.358 1.436 20 30 CDEDLO Cc1cc(NCCC(=O)N2CCCCCC2)c(C#N)c[nH+]1 ZINC000425223092 392995386 /nfs/dbraw/zinc/99/53/86/392995386.db2.gz MNCGFSLDBTWQPF-UHFFFAOYSA-N 1 2 286.379 1.888 20 30 CDEDLO COCCO[C@@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425252689 393005821 /nfs/dbraw/zinc/00/58/21/393005821.db2.gz BQDUFCUWHMCBPO-CQSZACIVSA-N 1 2 275.352 1.894 20 30 CDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H](CO)O1 ZINC000191520935 393118136 /nfs/dbraw/zinc/11/81/36/393118136.db2.gz PZXOPJVVIXDICF-VHSXEESVSA-N 1 2 252.339 1.201 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H](CO)O1 ZINC000191520935 393118141 /nfs/dbraw/zinc/11/81/41/393118141.db2.gz PZXOPJVVIXDICF-VHSXEESVSA-N 1 2 252.339 1.201 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000448917423 393127553 /nfs/dbraw/zinc/12/75/53/393127553.db2.gz KDEKVDXOTCGLPG-CMPLNLGQSA-N 1 2 290.367 1.034 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000487909841 393325358 /nfs/dbraw/zinc/32/53/58/393325358.db2.gz CMNGNODANUAILA-GJZGRUSLSA-N 1 2 288.347 1.629 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000487909841 393325361 /nfs/dbraw/zinc/32/53/61/393325361.db2.gz CMNGNODANUAILA-GJZGRUSLSA-N 1 2 288.347 1.629 20 30 CDEDLO CC(=O)[C@@H](NC(=O)C[NH+]1CCC(CCC#N)CC1)C(C)C ZINC000645951625 393427740 /nfs/dbraw/zinc/42/77/40/393427740.db2.gz KAYWAMCYQUIXSF-INIZCTEOSA-N 1 2 293.411 1.732 20 30 CDEDLO C[C@H]1C[N@H+](CCOc2ccccc2C#N)C[C@@H](CO)O1 ZINC000229962615 140204579 /nfs/dbraw/zinc/20/45/79/140204579.db2.gz NKMRXWJFNTXQCA-JSGCOSHPSA-N 1 2 276.336 1.019 20 30 CDEDLO C[C@H]1C[N@@H+](CCOc2ccccc2C#N)C[C@@H](CO)O1 ZINC000229962615 140204581 /nfs/dbraw/zinc/20/45/81/140204581.db2.gz NKMRXWJFNTXQCA-JSGCOSHPSA-N 1 2 276.336 1.019 20 30 CDEDLO COc1cc(C[NH2+][C@H](C)c2nncn2C)ccc1C#N ZINC000234951201 140233232 /nfs/dbraw/zinc/23/32/32/140233232.db2.gz WJWFQZHDGHUBTP-SNVBAGLBSA-N 1 2 271.324 1.546 20 30 CDEDLO C=CCN(CCOC)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000359301653 397667487 /nfs/dbraw/zinc/66/74/87/397667487.db2.gz IDSRTOOTTBGUJF-GFCCVEGCSA-N 1 2 278.356 1.042 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](CC)OC[C@H]1C ZINC000649730507 397914505 /nfs/dbraw/zinc/91/45/05/397914505.db2.gz SFISOFRSBYOJGM-ZIAGYGMSSA-N 1 2 266.385 1.686 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](CC)OC[C@H]1C ZINC000649730507 397914507 /nfs/dbraw/zinc/91/45/07/397914507.db2.gz SFISOFRSBYOJGM-ZIAGYGMSSA-N 1 2 266.385 1.686 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)c1c(F)cc(C#N)cc1F ZINC000335178887 150376600 /nfs/dbraw/zinc/37/66/00/150376600.db2.gz ANBQBWIWWBZAJP-UHFFFAOYSA-N 1 2 276.246 1.500 20 30 CDEDLO CCN1CC[N@H+](Cc2cccc(C#N)c2)[C@@H](C)C1=O ZINC000335833722 151058773 /nfs/dbraw/zinc/05/87/73/151058773.db2.gz JTKISNPRHMRJGE-LBPRGKRZSA-N 1 2 257.337 1.611 20 30 CDEDLO CCN1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H](C)C1=O ZINC000335833722 151058778 /nfs/dbraw/zinc/05/87/78/151058778.db2.gz JTKISNPRHMRJGE-LBPRGKRZSA-N 1 2 257.337 1.611 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000349438739 154114094 /nfs/dbraw/zinc/11/40/94/154114094.db2.gz WFMYATLVZASRDK-LBPRGKRZSA-N 1 2 296.330 1.964 20 30 CDEDLO Cn1ncc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1C#N ZINC000355472778 157071042 /nfs/dbraw/zinc/07/10/42/157071042.db2.gz YKLYWIFHEYPTSG-UHFFFAOYSA-N 1 2 292.302 1.934 20 30 CDEDLO Cc1ccc2[nH+]c(CNC(=O)c3cnn(C)c3C#N)cn2c1 ZINC000358769109 158019035 /nfs/dbraw/zinc/01/90/35/158019035.db2.gz QZFLUEFWOPYHHZ-UHFFFAOYSA-N 1 2 294.318 1.178 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285553142 196324182 /nfs/dbraw/zinc/32/41/82/196324182.db2.gz QWXAWTHNZSRWRZ-NSHDSACASA-N 1 2 276.336 1.277 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCOc2cc(O)ccc2C1 ZINC000285553142 196324184 /nfs/dbraw/zinc/32/41/84/196324184.db2.gz QWXAWTHNZSRWRZ-NSHDSACASA-N 1 2 276.336 1.277 20 30 CDEDLO C=CCNC(=O)C[N@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000285567892 196328974 /nfs/dbraw/zinc/32/89/74/196328974.db2.gz HMROTXQREIYXQI-UHFFFAOYSA-N 1 2 295.427 1.402 20 30 CDEDLO C=CCNC(=O)C[N@@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000285567892 196328976 /nfs/dbraw/zinc/32/89/76/196328976.db2.gz HMROTXQREIYXQI-UHFFFAOYSA-N 1 2 295.427 1.402 20 30 CDEDLO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2nncs2)C1 ZINC000661381716 414039199 /nfs/dbraw/zinc/03/91/99/414039199.db2.gz OSJMLKBHDRWOEV-JTQLQIEISA-N 1 2 266.370 1.765 20 30 CDEDLO C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2nncs2)C1 ZINC000661381716 414039209 /nfs/dbraw/zinc/03/92/09/414039209.db2.gz OSJMLKBHDRWOEV-JTQLQIEISA-N 1 2 266.370 1.765 20 30 CDEDLO C[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329710309 287321045 /nfs/dbraw/zinc/32/10/45/287321045.db2.gz MCQVMIRYUAGEDD-MNOVXSKESA-N 1 2 262.357 1.913 20 30 CDEDLO C[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329710309 287321049 /nfs/dbraw/zinc/32/10/49/287321049.db2.gz MCQVMIRYUAGEDD-MNOVXSKESA-N 1 2 262.357 1.913 20 30 CDEDLO COc1ccc(C[NH+]2CCN(CCC#N)CC2)c(OC)c1 ZINC000078527311 177350602 /nfs/dbraw/zinc/35/06/02/177350602.db2.gz AMMHIZQLRFYQFQ-UHFFFAOYSA-N 1 2 289.379 1.735 20 30 CDEDLO Cc1nnc(CNC(=O)[C@@H](C)[NH+]2CCSCC2)n1C ZINC000329004692 227253895 /nfs/dbraw/zinc/25/38/95/227253895.db2.gz XAILTNXHIHHYBB-SECBINFHSA-N 1 2 283.401 1.017 20 30 CDEDLO O=C(C[N@H+]1C[C@@H](F)C[C@H]1CO)NC(C1CC1)C1CC1 ZINC000329012271 227257983 /nfs/dbraw/zinc/25/79/83/227257983.db2.gz DXWKIZNZOFXAEO-RYUDHWBXSA-N 1 2 270.348 1.536 20 30 CDEDLO O=C(C[N@@H+]1C[C@@H](F)C[C@H]1CO)NC(C1CC1)C1CC1 ZINC000329012271 227257986 /nfs/dbraw/zinc/25/79/86/227257986.db2.gz DXWKIZNZOFXAEO-RYUDHWBXSA-N 1 2 270.348 1.536 20 30 CDEDLO [O-]C(=[NH+][C@H]1[C@@H]2COC[C@@H]21)N1CCC(n2cc[nH+]c2)CC1 ZINC000330038374 228024043 /nfs/dbraw/zinc/02/40/43/228024043.db2.gz ZXXKJXKPPXWKFU-ITGUQSILSA-N 1 2 276.340 1.079 20 30 CDEDLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)N1CCC(n2cc[nH+]c2)CC1 ZINC000330038374 228024046 /nfs/dbraw/zinc/02/40/46/228024046.db2.gz ZXXKJXKPPXWKFU-ITGUQSILSA-N 1 2 276.340 1.079 20 30 CDEDLO O=C(CN1CCCCCC1=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330295861 228104941 /nfs/dbraw/zinc/10/49/41/228104941.db2.gz FWXKHCLXUOULLN-GFCCVEGCSA-N 1 2 290.367 1.557 20 30 CDEDLO Cc1nccc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)n1 ZINC000330149142 228049903 /nfs/dbraw/zinc/04/99/03/228049903.db2.gz JYNMUKFAECOMHL-UHFFFAOYSA-N 1 2 293.371 1.222 20 30 CDEDLO Cc1nccc(NC(=O)NCC[N@H+]2CCOCC2(C)C)n1 ZINC000330149142 228049904 /nfs/dbraw/zinc/04/99/04/228049904.db2.gz JYNMUKFAECOMHL-UHFFFAOYSA-N 1 2 293.371 1.222 20 30 CDEDLO N#CCC1(CS(=O)(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000333462519 228201126 /nfs/dbraw/zinc/20/11/26/228201126.db2.gz UWVZLDQFTIXHDQ-UHFFFAOYSA-N 1 2 297.424 1.180 20 30 CDEDLO CC[C@H](C)NC(=O)CO[NH+]=C(N)c1ccc(OC)cc1 ZINC000048610471 260201388 /nfs/dbraw/zinc/20/13/88/260201388.db2.gz OTFFXSQFQPNNOP-JTQLQIEISA-N 1 2 279.340 1.247 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C1(C#N)CCCCC1 ZINC000408078075 260217453 /nfs/dbraw/zinc/21/74/53/260217453.db2.gz ALHHRZWLPOIQEA-CYBMUJFWSA-N 1 2 279.384 1.297 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)C1(C#N)CCCCC1 ZINC000408078075 260217455 /nfs/dbraw/zinc/21/74/55/260217455.db2.gz ALHHRZWLPOIQEA-CYBMUJFWSA-N 1 2 279.384 1.297 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000249941186 261260747 /nfs/dbraw/zinc/26/07/47/261260747.db2.gz WGINRTAZISCUJF-KFWWJZLASA-N 1 2 293.411 1.638 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000249941186 261260750 /nfs/dbraw/zinc/26/07/50/261260750.db2.gz WGINRTAZISCUJF-KFWWJZLASA-N 1 2 293.411 1.638 20 30 CDEDLO N#CCCCNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000273137969 263013131 /nfs/dbraw/zinc/01/31/31/263013131.db2.gz JTGAIZPGDIGXFS-UHFFFAOYSA-N 1 2 283.335 1.975 20 30 CDEDLO C=CCN1CC[C@@H](O[NH+]=C(N)Cc2csc(C)n2)C1=O ZINC000283544597 263083259 /nfs/dbraw/zinc/08/32/59/263083259.db2.gz NNORYZURSHNWFQ-LLVKDONJSA-N 1 2 294.380 1.070 20 30 CDEDLO Cc1ccsc1CNC(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284582164 263087480 /nfs/dbraw/zinc/08/74/80/263087480.db2.gz XKZAAINQLCOJMA-JTQLQIEISA-N 1 2 297.380 1.141 20 30 CDEDLO C[N@@H+]1CCc2nc(NC(=O)C(C)(C)C#N)sc2C1 ZINC000298899569 263227748 /nfs/dbraw/zinc/22/77/48/263227748.db2.gz AZYTZXZYYHRKPR-UHFFFAOYSA-N 1 2 264.354 1.619 20 30 CDEDLO C[N@H+]1CCc2nc(NC(=O)C(C)(C)C#N)sc2C1 ZINC000298899569 263227751 /nfs/dbraw/zinc/22/77/51/263227751.db2.gz AZYTZXZYYHRKPR-UHFFFAOYSA-N 1 2 264.354 1.619 20 30 CDEDLO C=CCOc1cccnc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000341548405 263343138 /nfs/dbraw/zinc/34/31/38/263343138.db2.gz OSFIRKAOFUIEAA-UHFFFAOYSA-N 1 2 286.335 1.652 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000334167415 263490291 /nfs/dbraw/zinc/49/02/91/263490291.db2.gz APFNUBLKUQHZQX-GWCFXTLKSA-N 1 2 261.300 1.458 20 30 CDEDLO CC(C)(C(=O)N[C@@H]1CCCOC1)[NH+]1CCOCC1 ZINC000328661557 263834830 /nfs/dbraw/zinc/83/48/30/263834830.db2.gz AGDMBLBQUYCIIK-LLVKDONJSA-N 1 2 256.346 1.233 20 30 CDEDLO CC[C@]1(C)COCC[N@@H+]1CC(=O)NC(=O)NCC(C)C ZINC000330518230 263957963 /nfs/dbraw/zinc/95/79/63/263957963.db2.gz MYYGSPWSMGIPDE-CQSZACIVSA-N 1 2 285.388 1.174 20 30 CDEDLO CC[C@]1(C)COCC[N@H+]1CC(=O)NC(=O)NCC(C)C ZINC000330518230 263957965 /nfs/dbraw/zinc/95/79/65/263957965.db2.gz MYYGSPWSMGIPDE-CQSZACIVSA-N 1 2 285.388 1.174 20 30 CDEDLO Cc1cnc([C@@H](C)[N@H+](C)CCNC(=O)N(C)C)o1 ZINC000330697345 264005621 /nfs/dbraw/zinc/00/56/21/264005621.db2.gz KNULGWVHSOVNRA-SNVBAGLBSA-N 1 2 254.334 1.451 20 30 CDEDLO Cc1cnc([C@@H](C)[N@@H+](C)CCNC(=O)N(C)C)o1 ZINC000330697345 264005623 /nfs/dbraw/zinc/00/56/23/264005623.db2.gz KNULGWVHSOVNRA-SNVBAGLBSA-N 1 2 254.334 1.451 20 30 CDEDLO CCNC(=O)N1CC[NH+](CCC(=O)OC(C)(C)C)CC1 ZINC000330671698 264014260 /nfs/dbraw/zinc/01/42/60/264014260.db2.gz FOCILHZLULATQK-UHFFFAOYSA-N 1 2 285.388 1.270 20 30 CDEDLO CC1(C#N)CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000330777567 264035473 /nfs/dbraw/zinc/03/54/73/264035473.db2.gz KJRFCURVUQIGDA-UHFFFAOYSA-N 1 2 296.374 1.800 20 30 CDEDLO CC[C@@H](C(=O)N[C@H](C#N)C(C)(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000331225094 264150002 /nfs/dbraw/zinc/15/00/02/264150002.db2.gz ZRIDNFRGEWPBSZ-HZSPNIEDSA-N 1 2 295.427 1.930 20 30 CDEDLO CC[C@@H](C(=O)N[C@H](C#N)C(C)(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000331225094 264150004 /nfs/dbraw/zinc/15/00/04/264150004.db2.gz ZRIDNFRGEWPBSZ-HZSPNIEDSA-N 1 2 295.427 1.930 20 30 CDEDLO CC#CCCCC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000331212489 264163477 /nfs/dbraw/zinc/16/34/77/264163477.db2.gz ZWIZAUSWKKMJAO-HIFRSBDPSA-N 1 2 289.379 1.950 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCCO[C@@H](C)C2)nn1 ZINC000653539009 424254655 /nfs/dbraw/zinc/25/46/55/424254655.db2.gz PPFGNBOCBMGNAP-LBPRGKRZSA-N 1 2 250.346 1.465 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCCO[C@@H](C)C2)nn1 ZINC000653539009 424254659 /nfs/dbraw/zinc/25/46/59/424254659.db2.gz PPFGNBOCBMGNAP-LBPRGKRZSA-N 1 2 250.346 1.465 20 30 CDEDLO C=CCCn1cc(C[N@@H+](CC(N)=O)C2CCCC2)nn1 ZINC000653544236 424263186 /nfs/dbraw/zinc/26/31/86/424263186.db2.gz QUAVIPJRVMWFRL-UHFFFAOYSA-N 1 2 277.372 1.084 20 30 CDEDLO C=CCCn1cc(C[N@H+](CC(N)=O)C2CCCC2)nn1 ZINC000653544236 424263197 /nfs/dbraw/zinc/26/31/97/424263197.db2.gz QUAVIPJRVMWFRL-UHFFFAOYSA-N 1 2 277.372 1.084 20 30 CDEDLO CN(CC#N)C(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000357610632 266335514 /nfs/dbraw/zinc/33/55/14/266335514.db2.gz LYZKOBGICNVDNX-UHFFFAOYSA-N 1 2 294.358 1.818 20 30 CDEDLO CN(CC#N)C(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000357610632 266335516 /nfs/dbraw/zinc/33/55/16/266335516.db2.gz LYZKOBGICNVDNX-UHFFFAOYSA-N 1 2 294.358 1.818 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000357793824 266362763 /nfs/dbraw/zinc/36/27/63/266362763.db2.gz IVTQYSWKNGQMAA-YPMHNXCESA-N 1 2 292.383 1.355 20 30 CDEDLO CCCCCCCCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000362920172 267060646 /nfs/dbraw/zinc/06/06/46/267060646.db2.gz GWYDLBHECSFXSH-UHFFFAOYSA-N 1 2 297.443 1.757 20 30 CDEDLO CCCCCCCCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000362920172 267060649 /nfs/dbraw/zinc/06/06/49/267060649.db2.gz GWYDLBHECSFXSH-UHFFFAOYSA-N 1 2 297.443 1.757 20 30 CDEDLO C#CCCCS(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000367805933 267118787 /nfs/dbraw/zinc/11/87/87/267118787.db2.gz FBIVBAHPJJITRY-LBPRGKRZSA-N 1 2 281.381 1.332 20 30 CDEDLO N#CCC[N@H+]1CCCC[C@H]1COC(=O)N1CCCC1 ZINC000368602627 267190113 /nfs/dbraw/zinc/19/01/13/267190113.db2.gz KKJBATWFOZVZEB-ZDUSSCGKSA-N 1 2 265.357 1.987 20 30 CDEDLO N#CCC[N@@H+]1CCCC[C@H]1COC(=O)N1CCCC1 ZINC000368602627 267190114 /nfs/dbraw/zinc/19/01/14/267190114.db2.gz KKJBATWFOZVZEB-ZDUSSCGKSA-N 1 2 265.357 1.987 20 30 CDEDLO C=CCC(CC=C)C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000370451020 267319654 /nfs/dbraw/zinc/31/96/54/267319654.db2.gz YBAJOQGQHLEXQC-UHFFFAOYSA-N 1 2 293.411 1.035 20 30 CDEDLO C=CCC(CC=C)C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000370451020 267319657 /nfs/dbraw/zinc/31/96/57/267319657.db2.gz YBAJOQGQHLEXQC-UHFFFAOYSA-N 1 2 293.411 1.035 20 30 CDEDLO N#Cc1cc(NCCCCNc2cccc[nH+]2)ncn1 ZINC000527384415 268171549 /nfs/dbraw/zinc/17/15/49/268171549.db2.gz XLJHLAFIGMZFKK-UHFFFAOYSA-N 1 2 268.324 1.469 20 30 CDEDLO CCOC[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000528722717 269671326 /nfs/dbraw/zinc/67/13/26/269671326.db2.gz RREMNKOKTUSRKL-INIZCTEOSA-N 1 2 290.363 1.674 20 30 CDEDLO CCOC[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000528722717 269671327 /nfs/dbraw/zinc/67/13/27/269671327.db2.gz RREMNKOKTUSRKL-INIZCTEOSA-N 1 2 290.363 1.674 20 30 CDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ncc(C#N)cc1F ZINC000413281871 278017110 /nfs/dbraw/zinc/01/71/10/278017110.db2.gz OBKDYUNPAGFQPM-YPMHNXCESA-N 1 2 290.342 1.392 20 30 CDEDLO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000274946716 282012962 /nfs/dbraw/zinc/01/29/62/282012962.db2.gz AZUREKTYGLTYQB-QMMMGPOBSA-N 1 2 274.328 1.258 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCSCC1 ZINC000329044930 295385214 /nfs/dbraw/zinc/38/52/14/295385214.db2.gz FKUPPUGUEFGRMQ-SNVBAGLBSA-N 1 2 266.370 1.161 20 30 CDEDLO N#CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000081622663 303155909 /nfs/dbraw/zinc/15/59/09/303155909.db2.gz ZKGIHQMDUFESSD-AWEZNQCLSA-N 1 2 275.327 1.820 20 30 CDEDLO N#CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000081622663 303155912 /nfs/dbraw/zinc/15/59/12/303155912.db2.gz ZKGIHQMDUFESSD-AWEZNQCLSA-N 1 2 275.327 1.820 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000334239963 303182881 /nfs/dbraw/zinc/18/28/81/303182881.db2.gz LPZOSGZWWMAWRT-ZIAGYGMSSA-N 1 2 273.311 1.408 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000334239963 303182883 /nfs/dbraw/zinc/18/28/83/303182883.db2.gz LPZOSGZWWMAWRT-ZIAGYGMSSA-N 1 2 273.311 1.408 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)cc1 ZINC000246492278 303190738 /nfs/dbraw/zinc/19/07/38/303190738.db2.gz HDNWQDIUMHRUBS-LSDHHAIUSA-N 1 2 269.348 1.801 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)cc1 ZINC000246492278 303190740 /nfs/dbraw/zinc/19/07/40/303190740.db2.gz HDNWQDIUMHRUBS-LSDHHAIUSA-N 1 2 269.348 1.801 20 30 CDEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](COC)c1ccco1 ZINC000184621177 327831286 /nfs/dbraw/zinc/83/12/86/327831286.db2.gz XUVYTZYGUAGFDA-LBPRGKRZSA-N 1 2 279.340 1.319 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCC[N@@H+]1CCOC[C@H]1C)OCC ZINC000339349152 328007992 /nfs/dbraw/zinc/00/79/92/328007992.db2.gz YSROAFDRBSPSLL-KGLIPLIRSA-N 1 2 284.400 1.195 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCC[N@H+]1CCOC[C@H]1C)OCC ZINC000339349152 328007993 /nfs/dbraw/zinc/00/79/93/328007993.db2.gz YSROAFDRBSPSLL-KGLIPLIRSA-N 1 2 284.400 1.195 20 30 CDEDLO N#CCC[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000571315636 328104702 /nfs/dbraw/zinc/10/47/02/328104702.db2.gz LOHRZPHFGWLKDU-AWEZNQCLSA-N 1 2 273.336 1.807 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413519601 328147870 /nfs/dbraw/zinc/14/78/70/328147870.db2.gz SGRBHWKRMNZGOM-CYBMUJFWSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CCCCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000176006370 329173391 /nfs/dbraw/zinc/17/33/91/329173391.db2.gz MGRUJDZNQYWOPY-AWEZNQCLSA-N 1 2 266.385 1.666 20 30 CDEDLO C[C@H](NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1)c1cccs1 ZINC000284596531 328246386 /nfs/dbraw/zinc/24/63/86/328246386.db2.gz YHEPESJCKYGJIO-UWVGGRQHSA-N 1 2 297.380 1.393 20 30 CDEDLO CCCCc1noc(CO[NH+]=C(N)[C@@H]2CCCO2)n1 ZINC000284614978 328246531 /nfs/dbraw/zinc/24/65/31/328246531.db2.gz ZFLQPVABRGCEPM-VIFPVBQESA-N 1 2 268.317 1.380 20 30 CDEDLO N#CCCCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000290900787 328260831 /nfs/dbraw/zinc/26/08/31/328260831.db2.gz DZDAZSQSVBQGBZ-UHFFFAOYSA-N 1 2 261.325 1.618 20 30 CDEDLO CCN1CCN(c2ccc(C#N)c(N)n2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000580346932 324443428 /nfs/dbraw/zinc/44/34/28/324443428.db2.gz FAJRXUYRZAFOHG-GFCCVEGCSA-N 1 2 297.366 1.142 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000560456466 327309500 /nfs/dbraw/zinc/30/95/00/327309500.db2.gz QSXOOLOIBYUSTA-XGUBFFRZSA-N 1 2 296.411 1.336 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000560456466 327309502 /nfs/dbraw/zinc/30/95/02/327309502.db2.gz QSXOOLOIBYUSTA-XGUBFFRZSA-N 1 2 296.411 1.336 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000579113905 327356680 /nfs/dbraw/zinc/35/66/80/327356680.db2.gz WUTSVJPIRNSOTA-NWDGAFQWSA-N 1 2 260.341 1.454 20 30 CDEDLO CCc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000562322891 327470247 /nfs/dbraw/zinc/47/02/47/327470247.db2.gz WCOWESTUFASYHP-OAHLLOKOSA-N 1 2 259.353 1.823 20 30 CDEDLO C=CCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000042925055 328772882 /nfs/dbraw/zinc/77/28/82/328772882.db2.gz PJUJCQSUXZXXGE-UHFFFAOYSA-N 1 2 270.336 1.917 20 30 CDEDLO C=CCNC(=O)c1ccc(NC(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000120153879 328954401 /nfs/dbraw/zinc/95/44/01/328954401.db2.gz IBQWGWDKFGBEEG-UHFFFAOYSA-N 1 2 299.334 1.647 20 30 CDEDLO CC[C@](C)(C#N)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000375642525 329004873 /nfs/dbraw/zinc/00/48/73/329004873.db2.gz OFMVIEFAZGEBGA-OAHLLOKOSA-N 1 2 274.368 1.818 20 30 CDEDLO C=C(C)CS(=O)(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000184400353 329259504 /nfs/dbraw/zinc/25/95/04/329259504.db2.gz BYEFHNPBDNBWDW-UHFFFAOYSA-N 1 2 291.376 1.868 20 30 CDEDLO N#CC1(C[NH2+]CCS(=O)(=O)c2ccc(F)cc2)CCC1 ZINC000583139085 329325766 /nfs/dbraw/zinc/32/57/66/329325766.db2.gz VJGACTBSUBNUJH-UHFFFAOYSA-N 1 2 296.367 1.883 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]([C@H](C)C(=O)OC)C1CCC1 ZINC000190076458 329391289 /nfs/dbraw/zinc/39/12/89/329391289.db2.gz DIIQDEAGAFLEQN-CYBMUJFWSA-N 1 2 296.411 1.827 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]([C@H](C)C(=O)OC)C1CCC1 ZINC000190076458 329391291 /nfs/dbraw/zinc/39/12/91/329391291.db2.gz DIIQDEAGAFLEQN-CYBMUJFWSA-N 1 2 296.411 1.827 20 30 CDEDLO C=CCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000047605822 329620307 /nfs/dbraw/zinc/62/03/07/329620307.db2.gz GUYKYOMBRZLQNM-UHFFFAOYSA-N 1 2 270.336 1.917 20 30 CDEDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)s1 ZINC000571941814 329932401 /nfs/dbraw/zinc/93/24/01/329932401.db2.gz KVFXUABENGQHEZ-IUCAKERBSA-N 1 2 293.396 1.448 20 30 CDEDLO C[C@H]1C[C@]1(C#N)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000449896015 330953873 /nfs/dbraw/zinc/95/38/73/330953873.db2.gz OUDMNOXLURVZCQ-YVEFUNNKSA-N 1 2 294.358 1.735 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C(C)C)C1COC1 ZINC000451122109 331016596 /nfs/dbraw/zinc/01/65/96/331016596.db2.gz WJEJFCUWXYSJJP-LBPRGKRZSA-N 1 2 267.373 1.104 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C(C)C)C1COC1 ZINC000451122109 331016597 /nfs/dbraw/zinc/01/65/97/331016597.db2.gz WJEJFCUWXYSJJP-LBPRGKRZSA-N 1 2 267.373 1.104 20 30 CDEDLO CC(C)OC(=O)[C@@H]([NH2+]CCC(=O)N(C)CCC#N)C(C)C ZINC000451590425 331035320 /nfs/dbraw/zinc/03/53/20/331035320.db2.gz MFCZZWPPMQCUIP-AWEZNQCLSA-N 1 2 297.399 1.314 20 30 CDEDLO C=CCCOCCNC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000454710848 331152031 /nfs/dbraw/zinc/15/20/31/331152031.db2.gz FSVBZYNPFVRMPX-NEPJUHHUSA-N 1 2 278.356 1.781 20 30 CDEDLO C=CCN(CCOC)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000459058681 331268707 /nfs/dbraw/zinc/26/87/07/331268707.db2.gz MTOLCJLNOXUXLY-LBPRGKRZSA-N 1 2 280.372 1.808 20 30 CDEDLO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccn(C)n1 ZINC000459777701 331300324 /nfs/dbraw/zinc/30/03/24/331300324.db2.gz LLRJMCSEZDVSFH-GFCCVEGCSA-N 1 2 289.383 1.413 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000490715830 332107939 /nfs/dbraw/zinc/10/79/39/332107939.db2.gz ZLUKMZFTJPDDQX-HUUCEWRRSA-N 1 2 260.381 1.449 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000490715830 332107940 /nfs/dbraw/zinc/10/79/40/332107940.db2.gz ZLUKMZFTJPDDQX-HUUCEWRRSA-N 1 2 260.381 1.449 20 30 CDEDLO C#CCn1ccc(CN(CC)c2cc(C)[nH+]cn2)n1 ZINC000491288662 332182373 /nfs/dbraw/zinc/18/23/73/332182373.db2.gz SWOLFCMRVXZVCY-UHFFFAOYSA-N 1 2 255.325 1.641 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ncccc2O)n1 ZINC000491747869 332324921 /nfs/dbraw/zinc/32/49/21/332324921.db2.gz NTILJFHKQMMPNI-UHFFFAOYSA-N 1 2 270.336 1.639 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2ncccc2O)n1 ZINC000491747869 332324922 /nfs/dbraw/zinc/32/49/22/332324922.db2.gz NTILJFHKQMMPNI-UHFFFAOYSA-N 1 2 270.336 1.639 20 30 CDEDLO C#CCN(CC#CC)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000491781629 332345779 /nfs/dbraw/zinc/34/57/79/332345779.db2.gz MVNVFXAMPKIASI-UHFFFAOYSA-N 1 2 277.327 1.971 20 30 CDEDLO Cc1cccn2cc(CC(=O)N(C)[C@H](C)CC#N)[nH+]c12 ZINC000521228453 333115903 /nfs/dbraw/zinc/11/59/03/333115903.db2.gz METIOQWPPIMNIO-GFCCVEGCSA-N 1 2 270.336 1.946 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000193484394 333251030 /nfs/dbraw/zinc/25/10/30/333251030.db2.gz UHGGOKLDRAUBDC-LBPRGKRZSA-N 1 2 270.336 1.885 20 30 CDEDLO Cc1cccn2cc(CC(=O)NC3(C#N)CCOCC3)[nH+]c12 ZINC000523719572 333341997 /nfs/dbraw/zinc/34/19/97/333341997.db2.gz VVSBUKVCCMEXHS-UHFFFAOYSA-N 1 2 298.346 1.374 20 30 CDEDLO C[C@H](C#N)CNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000542874255 333846861 /nfs/dbraw/zinc/84/68/61/333846861.db2.gz GJXHUPKQMKHTNV-SNVBAGLBSA-N 1 2 261.329 1.106 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(Cl)o1 ZINC000565051764 334536707 /nfs/dbraw/zinc/53/67/07/334536707.db2.gz QXEYQBWXIVIKTK-NSHDSACASA-N 1 2 255.705 1.507 20 30 CDEDLO C=C(C)COCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000565423656 334562369 /nfs/dbraw/zinc/56/23/69/334562369.db2.gz LMHYRNOMIBUXQU-GFCCVEGCSA-N 1 2 263.341 1.154 20 30 CDEDLO CC(C)[C@@H]1C[C@@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)CCO1 ZINC000566309906 334642164 /nfs/dbraw/zinc/64/21/64/334642164.db2.gz XKHRMNMVHKGEMK-DZKIICNBSA-N 1 2 295.427 1.788 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)NCC1(C#N)CC1 ZINC000567324366 334703261 /nfs/dbraw/zinc/70/32/61/334703261.db2.gz SSTRIAAUROLLRN-UHFFFAOYSA-N 1 2 297.362 1.948 20 30 CDEDLO CCc1nc(C)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)s1 ZINC000569127876 334857093 /nfs/dbraw/zinc/85/70/93/334857093.db2.gz ICAWJYFYACDPAC-CYBMUJFWSA-N 1 2 280.397 1.588 20 30 CDEDLO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@H](C)C#N ZINC000183822886 335907648 /nfs/dbraw/zinc/90/76/48/335907648.db2.gz DTYUWJGXJUUYSU-MRVPVSSYSA-N 1 2 290.289 1.919 20 30 CDEDLO C=CCN(C(=O)Nc1cc[nH+]c(C)c1)[C@H](C)COC ZINC000666491745 482734862 /nfs/dbraw/zinc/73/48/62/482734862.db2.gz AJSUMGRCKQOPJP-GFCCVEGCSA-N 1 2 263.341 1.867 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)NC1(C#N)CCC1)CCO2 ZINC000329225603 534212215 /nfs/dbraw/zinc/21/22/15/534212215.db2.gz GKHZDBZEVRVJJA-WFASDCNBSA-N 1 2 293.367 1.269 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)NC1(C#N)CCC1)CCO2 ZINC000329225603 534212216 /nfs/dbraw/zinc/21/22/16/534212216.db2.gz GKHZDBZEVRVJJA-WFASDCNBSA-N 1 2 293.367 1.269 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cnccn1 ZINC001754300290 1185561062 /nfs/dbraw/zinc/56/10/62/1185561062.db2.gz SESANCOILJSCHP-JTQLQIEISA-N 1 2 268.748 1.279 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)C(C)(C)CCOC)CC1 ZINC001113481541 1162186186 /nfs/dbraw/zinc/18/61/86/1162186186.db2.gz BRBALAQPEGGEOA-UHFFFAOYSA-N 1 2 268.401 1.769 20 30 CDEDLO Cc1nnc(N[C@H](C)Cn2cc[nH+]c2)c(C#N)c1C ZINC000049237437 526374289 /nfs/dbraw/zinc/37/42/89/526374289.db2.gz OAWXVAKOCFLUOO-SECBINFHSA-N 1 2 256.313 1.662 20 30 CDEDLO CC#CCNC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000334919460 526381755 /nfs/dbraw/zinc/38/17/55/526381755.db2.gz QJLKUTDIXVWPQG-UHFFFAOYSA-N 1 2 293.370 1.976 20 30 CDEDLO CC#CCNC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000334919460 526381758 /nfs/dbraw/zinc/38/17/58/526381758.db2.gz QJLKUTDIXVWPQG-UHFFFAOYSA-N 1 2 293.370 1.976 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000347353943 526571868 /nfs/dbraw/zinc/57/18/68/526571868.db2.gz RILBWUJCIYVRKN-LBPRGKRZSA-N 1 2 299.378 1.529 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1Cc2ccccc2C1 ZINC000107306754 526604149 /nfs/dbraw/zinc/60/41/49/526604149.db2.gz NITZYWAEUONGDQ-LLVKDONJSA-N 1 2 273.336 1.403 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347355812 527626526 /nfs/dbraw/zinc/62/65/26/527626526.db2.gz TVYGXMSPERMSOB-HIFRSBDPSA-N 1 2 284.375 1.372 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347355812 527626532 /nfs/dbraw/zinc/62/65/32/527626532.db2.gz TVYGXMSPERMSOB-HIFRSBDPSA-N 1 2 284.375 1.372 20 30 CDEDLO CCN(CC)C(=O)C[N@H+](C)Cc1cc(C#N)cs1 ZINC000155097379 528015516 /nfs/dbraw/zinc/01/55/16/528015516.db2.gz YQAWGBHRYDHLBH-UHFFFAOYSA-N 1 2 265.382 1.920 20 30 CDEDLO CCN(CC)C(=O)C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000155097379 528015519 /nfs/dbraw/zinc/01/55/19/528015519.db2.gz YQAWGBHRYDHLBH-UHFFFAOYSA-N 1 2 265.382 1.920 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@]12CCOC2=O ZINC000186735900 536644536 /nfs/dbraw/zinc/64/45/36/536644536.db2.gz UPXSFJICKDAAQZ-MRXNPFEDSA-N 1 2 286.331 1.848 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@]12CCOC2=O ZINC000186735900 536644539 /nfs/dbraw/zinc/64/45/39/536644539.db2.gz UPXSFJICKDAAQZ-MRXNPFEDSA-N 1 2 286.331 1.848 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)C2CC2)C1 ZINC001046092660 693393063 /nfs/dbraw/zinc/39/30/63/693393063.db2.gz MWBPEGDLLVVJLK-GFCCVEGCSA-N 1 2 287.201 1.886 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)C2CC2)C1 ZINC001046092660 693393066 /nfs/dbraw/zinc/39/30/66/693393066.db2.gz MWBPEGDLLVVJLK-GFCCVEGCSA-N 1 2 287.201 1.886 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]Nc1ccc(F)cc1 ZINC000747625087 574503364 /nfs/dbraw/zinc/50/33/64/574503364.db2.gz CXHZMHOQQFZQQH-UHFFFAOYSA-N 1 2 261.260 1.653 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CCS(=O)(=O)Cc1ccccc1 ZINC000727779802 574598455 /nfs/dbraw/zinc/59/84/55/574598455.db2.gz WAPZADDNIXASTA-LBPRGKRZSA-N 1 2 266.366 1.493 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)Nc1cccc(OCC#N)c1 ZINC000728688196 574642136 /nfs/dbraw/zinc/64/21/36/574642136.db2.gz VGDLZGOSWQJGKH-UHFFFAOYSA-N 1 2 285.307 1.644 20 30 CDEDLO COc1ccc(O)c(/C=N/CC[N@@H+]2CCOC[C@H]2C)c1 ZINC000729149612 574723007 /nfs/dbraw/zinc/72/30/07/574723007.db2.gz MJTIAAGWZXQJJP-HMHNVIDESA-N 1 2 278.352 1.540 20 30 CDEDLO COc1ccc(O)c(/C=N/CC[N@H+]2CCOC[C@H]2C)c1 ZINC000729149612 574723010 /nfs/dbraw/zinc/72/30/10/574723010.db2.gz MJTIAAGWZXQJJP-HMHNVIDESA-N 1 2 278.352 1.540 20 30 CDEDLO C#CCOc1ccccc1C[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000732595815 575091959 /nfs/dbraw/zinc/09/19/59/575091959.db2.gz ZYDVLMQADBNVRC-UHFFFAOYSA-N 1 2 298.386 1.753 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000769954241 575402329 /nfs/dbraw/zinc/40/23/29/575402329.db2.gz QPRYEWXIQHKFGX-VXGBXAGGSA-N 1 2 274.339 1.883 20 30 CDEDLO C#CCNC(=O)C[N@H+]1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000769954241 575402332 /nfs/dbraw/zinc/40/23/32/575402332.db2.gz QPRYEWXIQHKFGX-VXGBXAGGSA-N 1 2 274.339 1.883 20 30 CDEDLO C=CC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000735428707 575467493 /nfs/dbraw/zinc/46/74/93/575467493.db2.gz NEJHZKSHTQKUFY-UHFFFAOYSA-N 1 2 288.330 1.314 20 30 CDEDLO N#C[C@@]1(NC(=O)c2cccc3[nH+]ccn32)CCSC1 ZINC000770414562 575482202 /nfs/dbraw/zinc/48/22/02/575482202.db2.gz HKBQZKCSOBLGME-ZDUSSCGKSA-N 1 2 272.333 1.463 20 30 CDEDLO COCC#CC[N@@H+]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000772323662 575685359 /nfs/dbraw/zinc/68/53/59/575685359.db2.gz JHJKBVXJGZFRMC-KGLIPLIRSA-N 1 2 296.411 1.966 20 30 CDEDLO COCC#CC[N@H+]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000772323662 575685362 /nfs/dbraw/zinc/68/53/62/575685362.db2.gz JHJKBVXJGZFRMC-KGLIPLIRSA-N 1 2 296.411 1.966 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cnn(C)c2C)c1 ZINC000766025769 576072468 /nfs/dbraw/zinc/07/24/68/576072468.db2.gz CLGFBSCIESTGNW-UHFFFAOYSA-N 1 2 296.374 1.780 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cnn(C)c2C)c1 ZINC000766025769 576072470 /nfs/dbraw/zinc/07/24/70/576072470.db2.gz CLGFBSCIESTGNW-UHFFFAOYSA-N 1 2 296.374 1.780 20 30 CDEDLO C#CCCC[N@@H+]1CCNC(=O)[C@H]1c1c(C)nc2ccccn21 ZINC000766901485 576144364 /nfs/dbraw/zinc/14/43/64/576144364.db2.gz YPEOJVORHCJCGF-MRXNPFEDSA-N 1 2 296.374 1.529 20 30 CDEDLO C#CCCC[N@H+]1CCNC(=O)[C@H]1c1c(C)nc2ccccn21 ZINC000766901485 576144367 /nfs/dbraw/zinc/14/43/67/576144367.db2.gz YPEOJVORHCJCGF-MRXNPFEDSA-N 1 2 296.374 1.529 20 30 CDEDLO C#CCCCC(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000760382927 576481355 /nfs/dbraw/zinc/48/13/55/576481355.db2.gz JONBLBCRKOVRNI-UHFFFAOYSA-N 1 2 272.339 1.978 20 30 CDEDLO C#CCCCC(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000760382927 576481356 /nfs/dbraw/zinc/48/13/56/576481356.db2.gz JONBLBCRKOVRNI-UHFFFAOYSA-N 1 2 272.339 1.978 20 30 CDEDLO N#CCOc1cccc(CC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000760542826 576492766 /nfs/dbraw/zinc/49/27/66/576492766.db2.gz RYTBBCSMMJWZCG-UHFFFAOYSA-N 1 2 270.292 1.171 20 30 CDEDLO FC(F)CN[NH+]=Cc1cnc(N2CCCC2)nc1 ZINC000740616897 576495209 /nfs/dbraw/zinc/49/52/09/576495209.db2.gz WQMGKZSLFLZDFY-UHFFFAOYSA-N 1 2 255.272 1.265 20 30 CDEDLO C#CCNC(=S)N(C)CCCc1[nH+]ccn1CCC ZINC000761507583 576580158 /nfs/dbraw/zinc/58/01/58/576580158.db2.gz PKZOSBOLZATEMK-UHFFFAOYSA-N 1 2 278.425 1.665 20 30 CDEDLO C[N@H+](CC(F)F)C1CCN(C(=O)C(C)(C)C#N)CC1 ZINC000742237886 576590749 /nfs/dbraw/zinc/59/07/49/576590749.db2.gz ROLIUJOLADPETJ-UHFFFAOYSA-N 1 2 273.327 1.724 20 30 CDEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)C(C)(C)C#N)CC1 ZINC000742237886 576590752 /nfs/dbraw/zinc/59/07/52/576590752.db2.gz ROLIUJOLADPETJ-UHFFFAOYSA-N 1 2 273.327 1.724 20 30 CDEDLO C#CC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000753907890 576865632 /nfs/dbraw/zinc/86/56/32/576865632.db2.gz QXTIGJCGKYYAAB-AWEZNQCLSA-N 1 2 269.304 1.268 20 30 CDEDLO COc1ccc(NC(=S)NN=Cc2c[nH+]cn2C)cc1 ZINC000755505632 576947402 /nfs/dbraw/zinc/94/74/02/576947402.db2.gz MYQKJPSMZSKDSS-UHFFFAOYSA-N 1 2 289.364 1.749 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000753183660 577151708 /nfs/dbraw/zinc/15/17/08/577151708.db2.gz KUCLUSJQMQOYLD-HNNXBMFYSA-N 1 2 292.342 1.467 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@H](C)[C@H](NC(C)=O)C1 ZINC000964513406 613235692 /nfs/dbraw/zinc/23/56/92/613235692.db2.gz YRUBRCGVXBNDGC-GZMMTYOYSA-N 1 2 275.190 1.742 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@H](C)[C@H](NC(C)=O)C1 ZINC000964513406 613235694 /nfs/dbraw/zinc/23/56/94/613235694.db2.gz YRUBRCGVXBNDGC-GZMMTYOYSA-N 1 2 275.190 1.742 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccccn2)C1 ZINC000949563488 612992670 /nfs/dbraw/zinc/99/26/70/612992670.db2.gz AEOZEIJXCUUEIM-UHFFFAOYSA-N 1 2 257.337 1.251 20 30 CDEDLO C#CC[NH+]1CCC(Nc2cc(CC(=O)[O-])cc[nH+]2)CC1 ZINC001602720694 1175374362 /nfs/dbraw/zinc/37/43/62/1175374362.db2.gz CLPCTRBGWVXUAA-UHFFFAOYSA-N 1 2 273.336 1.218 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820219637 606911080 /nfs/dbraw/zinc/91/10/80/606911080.db2.gz HLNVFRMASDPZAP-ZWNOBZJWSA-N 1 2 286.339 1.134 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820219637 606911082 /nfs/dbraw/zinc/91/10/82/606911082.db2.gz HLNVFRMASDPZAP-ZWNOBZJWSA-N 1 2 286.339 1.134 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000890654342 617252054 /nfs/dbraw/zinc/25/20/54/617252054.db2.gz BYYOYNXKAVYVIK-PMPSAXMXSA-N 1 2 292.423 1.890 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000890654342 617252056 /nfs/dbraw/zinc/25/20/56/617252056.db2.gz BYYOYNXKAVYVIK-PMPSAXMXSA-N 1 2 292.423 1.890 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000949278915 613210172 /nfs/dbraw/zinc/21/01/72/613210172.db2.gz OFSDNQGJXJWNGC-UHFFFAOYSA-N 1 2 288.347 1.220 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000949278915 613210173 /nfs/dbraw/zinc/21/01/73/613210173.db2.gz OFSDNQGJXJWNGC-UHFFFAOYSA-N 1 2 288.347 1.220 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)C3CC3)C2)C1 ZINC000972695704 613212354 /nfs/dbraw/zinc/21/23/54/613212354.db2.gz UNLPYXMPISCMMQ-RHSMWYFYSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)C3CC3)C2)C1 ZINC000972695704 613212355 /nfs/dbraw/zinc/21/23/55/613212355.db2.gz UNLPYXMPISCMMQ-RHSMWYFYSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)C=CCC3)C2)C1 ZINC000972507160 613212971 /nfs/dbraw/zinc/21/29/71/613212971.db2.gz WVNFQVLEIXXPKQ-IAGOWNOFSA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)C=CCC3)C2)C1 ZINC000972507160 613212972 /nfs/dbraw/zinc/21/29/72/613212972.db2.gz WVNFQVLEIXXPKQ-IAGOWNOFSA-N 1 2 288.391 1.279 20 30 CDEDLO C#Cc1cncc(C(=O)N[C@@H](C)C2C[NH+](CCF)C2)c1 ZINC000970402308 613218952 /nfs/dbraw/zinc/21/89/52/613218952.db2.gz XDJPXJNPUKWBMR-NSHDSACASA-N 1 2 275.327 1.083 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2n[nH]c3ccccc32)C[C@@H]1C ZINC000947995362 613243361 /nfs/dbraw/zinc/24/33/61/613243361.db2.gz XTROOPPMRVRKJC-QWHCGFSZSA-N 1 2 296.374 1.779 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2n[nH]c3ccccc32)C[C@@H]1C ZINC000947995362 613243362 /nfs/dbraw/zinc/24/33/62/613243362.db2.gz XTROOPPMRVRKJC-QWHCGFSZSA-N 1 2 296.374 1.779 20 30 CDEDLO C=C(C)C[N@@H+]1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000981208747 613310892 /nfs/dbraw/zinc/31/08/92/613310892.db2.gz BUSQVCRIXCHLQV-JTQLQIEISA-N 1 2 282.281 1.997 20 30 CDEDLO C=C(C)C[N@H+]1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000981208747 613310894 /nfs/dbraw/zinc/31/08/94/613310894.db2.gz BUSQVCRIXCHLQV-JTQLQIEISA-N 1 2 282.281 1.997 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc(OC)nc2)CC1 ZINC000949188474 613321101 /nfs/dbraw/zinc/32/11/01/613321101.db2.gz QRWYREOPVJYOKB-UHFFFAOYSA-N 1 2 275.352 1.424 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC000972616257 613370045 /nfs/dbraw/zinc/37/00/45/613370045.db2.gz WLHLVCURFCWOGY-NSHDSACASA-N 1 2 282.775 1.237 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC000972616257 613370046 /nfs/dbraw/zinc/37/00/46/613370046.db2.gz WLHLVCURFCWOGY-NSHDSACASA-N 1 2 282.775 1.237 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCOC2)C1 ZINC000969388922 613371566 /nfs/dbraw/zinc/37/15/66/613371566.db2.gz HQDVVLGUUGQXFX-VXGBXAGGSA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cn(C)cn2)C1 ZINC000965904419 613375822 /nfs/dbraw/zinc/37/58/22/613375822.db2.gz AEMSTPBTFTWSMC-ZYHUDNBSSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cn(C)cn2)C1 ZINC000965904419 613375823 /nfs/dbraw/zinc/37/58/23/613375823.db2.gz AEMSTPBTFTWSMC-ZYHUDNBSSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000967776778 613375825 /nfs/dbraw/zinc/37/58/25/613375825.db2.gz IFCBRRVOQDRXRT-LPUQOGTASA-N 1 2 298.814 1.458 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000967776778 613375826 /nfs/dbraw/zinc/37/58/26/613375826.db2.gz IFCBRRVOQDRXRT-LPUQOGTASA-N 1 2 298.814 1.458 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@]23C[C@H]2COC3)C(C)(C)C1 ZINC000974615325 613381018 /nfs/dbraw/zinc/38/10/18/613381018.db2.gz GUGQDRASRINAJE-HUBLWGQQSA-N 1 2 298.814 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@]23C[C@H]2COC3)C(C)(C)C1 ZINC000974615325 613381019 /nfs/dbraw/zinc/38/10/19/613381019.db2.gz GUGQDRASRINAJE-HUBLWGQQSA-N 1 2 298.814 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2cnoc2)C(C)(C)C1 ZINC000974959455 613381027 /nfs/dbraw/zinc/38/10/27/613381027.db2.gz NHJIHDKLRUOCJL-LBPRGKRZSA-N 1 2 297.786 1.796 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2cnoc2)C(C)(C)C1 ZINC000974959455 613381028 /nfs/dbraw/zinc/38/10/28/613381028.db2.gz NHJIHDKLRUOCJL-LBPRGKRZSA-N 1 2 297.786 1.796 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2[nH]cnc2C)C(C)(C)C1 ZINC000977660325 613381171 /nfs/dbraw/zinc/38/11/71/613381171.db2.gz DTUJHJPTEYGRRA-NSHDSACASA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2[nH]cnc2C)C(C)(C)C1 ZINC000977660325 613381172 /nfs/dbraw/zinc/38/11/72/613381172.db2.gz DTUJHJPTEYGRRA-NSHDSACASA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ncccn2)C(C)(C)C1 ZINC000977369397 613381263 /nfs/dbraw/zinc/38/12/63/613381263.db2.gz HTNFLJVCAZUSDB-NSHDSACASA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ncccn2)C(C)(C)C1 ZINC000977369397 613381264 /nfs/dbraw/zinc/38/12/64/613381264.db2.gz HTNFLJVCAZUSDB-NSHDSACASA-N 1 2 294.786 1.669 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC000969584998 613436764 /nfs/dbraw/zinc/43/67/64/613436764.db2.gz PWYHGVZJNKEGOY-SNVBAGLBSA-N 1 2 280.397 1.441 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2c(C)cc(=O)[nH]c2C)CC1 ZINC000957733918 613566983 /nfs/dbraw/zinc/56/69/83/613566983.db2.gz IJUQYQQDENPWGC-UHFFFAOYSA-N 1 2 287.363 1.185 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2snnc2C)C1 ZINC000965031966 613574159 /nfs/dbraw/zinc/57/41/59/613574159.db2.gz JGINVCDYHYDNCC-PWSUYJOCSA-N 1 2 292.408 1.310 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2snnc2C)C1 ZINC000965031966 613574160 /nfs/dbraw/zinc/57/41/60/613574160.db2.gz JGINVCDYHYDNCC-PWSUYJOCSA-N 1 2 292.408 1.310 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H](C)n2cccn2)CC1 ZINC000957112569 613709043 /nfs/dbraw/zinc/70/90/43/613709043.db2.gz DYNACCQSKASPSM-CYBMUJFWSA-N 1 2 262.357 1.164 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)C[C@@H]2CCCO2)CC1 ZINC000957845099 613709981 /nfs/dbraw/zinc/70/99/81/613709981.db2.gz AWHCFSNKVRGOJW-KBPBESRZSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccn(C(C)C)n2)CC1 ZINC000949395564 613710059 /nfs/dbraw/zinc/71/00/59/613710059.db2.gz DNNLQZNVLIKYEK-UHFFFAOYSA-N 1 2 276.384 1.337 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c(C)cc(C)nc2C)CC1 ZINC000949387231 613713857 /nfs/dbraw/zinc/71/38/57/613713857.db2.gz NWRKLCSXIDWBQK-UHFFFAOYSA-N 1 2 273.380 1.951 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc(OC)n2)CC1 ZINC000957031922 613716835 /nfs/dbraw/zinc/71/68/35/613716835.db2.gz ISNCNLIFNNDYSD-UHFFFAOYSA-N 1 2 261.325 1.034 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnn(CCC)c2)CC1 ZINC000950976283 613718718 /nfs/dbraw/zinc/71/87/18/613718718.db2.gz WRXOJKSMZBPZSE-UHFFFAOYSA-N 1 2 262.357 1.237 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(C(C)C)CC3)C2)C1 ZINC000972544884 613722284 /nfs/dbraw/zinc/72/22/84/613722284.db2.gz XEHYKMJQSXLEEM-INIZCTEOSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(C(C)C)CC3)C2)C1 ZINC000972544884 613722285 /nfs/dbraw/zinc/72/22/85/613722285.db2.gz XEHYKMJQSXLEEM-INIZCTEOSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccsn3)C2)C1 ZINC000972428263 613724148 /nfs/dbraw/zinc/72/41/48/613724148.db2.gz HEIXZQKWTKRXNH-AWEZNQCLSA-N 1 2 293.392 1.246 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccsn3)C2)C1 ZINC000972428263 613724149 /nfs/dbraw/zinc/72/41/49/613724149.db2.gz HEIXZQKWTKRXNH-AWEZNQCLSA-N 1 2 293.392 1.246 20 30 CDEDLO C#Cc1ccc(NC(=O)/C=C/C[NH+]2CCOCC2)cc1 ZINC000891313332 617418158 /nfs/dbraw/zinc/41/81/58/617418158.db2.gz MMMOCFRXBVQTGB-ONEGZZNKSA-N 1 2 270.332 1.495 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnns2)C(C)(C)C1 ZINC000972833604 613811466 /nfs/dbraw/zinc/81/14/66/613811466.db2.gz ACRABBPWQWLSQH-SNVBAGLBSA-N 1 2 266.370 1.164 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cnns2)C(C)(C)C1 ZINC000972833604 613811468 /nfs/dbraw/zinc/81/14/68/613811468.db2.gz ACRABBPWQWLSQH-SNVBAGLBSA-N 1 2 266.370 1.164 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nc(CC)cs1 ZINC000910727264 618449762 /nfs/dbraw/zinc/44/97/62/618449762.db2.gz NJJBOXOBEKTNHV-YPMHNXCESA-N 1 2 291.420 1.980 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nc(CC)cs1 ZINC000910727264 618449767 /nfs/dbraw/zinc/44/97/67/618449767.db2.gz NJJBOXOBEKTNHV-YPMHNXCESA-N 1 2 291.420 1.980 20 30 CDEDLO N#Cc1nccnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895354717 619597121 /nfs/dbraw/zinc/59/71/21/619597121.db2.gz ZYWIARJWDSRLGM-UHFFFAOYSA-N 1 2 280.335 1.824 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000897307594 620483442 /nfs/dbraw/zinc/48/34/42/620483442.db2.gz RZMYCOAWROXULV-RISCZKNCSA-N 1 2 292.383 1.091 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897307594 620483445 /nfs/dbraw/zinc/48/34/45/620483445.db2.gz RZMYCOAWROXULV-RISCZKNCSA-N 1 2 292.383 1.091 20 30 CDEDLO C=CCC[C@@H]1CCCN1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000912451003 630021432 /nfs/dbraw/zinc/02/14/32/630021432.db2.gz LVEUGUNEQHTCGY-HUUCEWRRSA-N 1 2 295.427 1.847 20 30 CDEDLO C=CCC[C@@H]1CCCN1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000912451003 630021436 /nfs/dbraw/zinc/02/14/36/630021436.db2.gz LVEUGUNEQHTCGY-HUUCEWRRSA-N 1 2 295.427 1.847 20 30 CDEDLO C[C@H]1C[N@H+](CCOC(=O)CC(C)(C)C#N)CCO1 ZINC000800217958 632291367 /nfs/dbraw/zinc/29/13/67/632291367.db2.gz VIXJJPIMWIELJF-NSHDSACASA-N 1 2 254.330 1.190 20 30 CDEDLO C[C@H]1C[N@@H+](CCOC(=O)CC(C)(C)C#N)CCO1 ZINC000800217958 632291369 /nfs/dbraw/zinc/29/13/69/632291369.db2.gz VIXJJPIMWIELJF-NSHDSACASA-N 1 2 254.330 1.190 20 30 CDEDLO C=C(Br)CNC(=O)NCCNc1cccc[nH+]1 ZINC000921124657 632881450 /nfs/dbraw/zinc/88/14/50/632881450.db2.gz FXVDYWYBYVCDFJ-UHFFFAOYSA-N 1 2 299.172 1.701 20 30 CDEDLO C#CCCN(CC(F)(F)F)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000832276128 693876892 /nfs/dbraw/zinc/87/68/92/693876892.db2.gz OAIGGGZNTJFECC-NSHDSACASA-N 1 2 299.296 1.860 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CC2CCCCC2)C1 ZINC000885511334 693878903 /nfs/dbraw/zinc/87/89/03/693878903.db2.gz FYTWTLSMMYPXKX-OAHLLOKOSA-N 1 2 298.452 1.584 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CC2CCCCC2)C1 ZINC000885511334 693878905 /nfs/dbraw/zinc/87/89/05/693878905.db2.gz FYTWTLSMMYPXKX-OAHLLOKOSA-N 1 2 298.452 1.584 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)CCC(C)(C)C ZINC000884147352 693899242 /nfs/dbraw/zinc/89/92/42/693899242.db2.gz HICBVBXXMWQYCP-RYUDHWBXSA-N 1 2 284.400 1.764 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1OCC[C@H]1C(C)C ZINC001017561641 693950047 /nfs/dbraw/zinc/95/00/47/693950047.db2.gz YDSGCFWGYVMORW-FZKCQIBNSA-N 1 2 290.407 1.356 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1OCC[C@H]1C(C)C ZINC001017561641 693950049 /nfs/dbraw/zinc/95/00/49/693950049.db2.gz YDSGCFWGYVMORW-FZKCQIBNSA-N 1 2 290.407 1.356 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(N(C)C(=O)Cc2ccn[nH]2)CC1 ZINC001005204671 693951316 /nfs/dbraw/zinc/95/13/16/693951316.db2.gz LYGAZWOODFVAOX-UHFFFAOYSA-N 1 2 296.802 1.628 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1csc(C)c1C ZINC001038289458 695068051 /nfs/dbraw/zinc/06/80/51/695068051.db2.gz AHTDOYAZWOGRGN-LBPRGKRZSA-N 1 2 262.378 1.802 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1csc(C)c1C ZINC001038289458 695068055 /nfs/dbraw/zinc/06/80/55/695068055.db2.gz AHTDOYAZWOGRGN-LBPRGKRZSA-N 1 2 262.378 1.802 20 30 CDEDLO C=CCON=C(N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181843899 693968280 /nfs/dbraw/zinc/96/82/80/693968280.db2.gz WOBXOSHCDYSOLV-AWEZNQCLSA-N 1 2 275.352 1.362 20 30 CDEDLO C=CCON=C(N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181843899 693968289 /nfs/dbraw/zinc/96/82/89/693968289.db2.gz WOBXOSHCDYSOLV-AWEZNQCLSA-N 1 2 275.352 1.362 20 30 CDEDLO N#CC[C@@H](O)C[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000809570565 693976953 /nfs/dbraw/zinc/97/69/53/693976953.db2.gz QBMVTTFMBBWCIU-OAHLLOKOSA-N 1 2 293.798 1.732 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cncnc2)CC[C@@H]1C ZINC001071448565 693985372 /nfs/dbraw/zinc/98/53/72/693985372.db2.gz XPQZGDVSVIVKDG-AAEUAGOBSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cncnc2)CC[C@@H]1C ZINC001071448565 693985378 /nfs/dbraw/zinc/98/53/78/693985378.db2.gz XPQZGDVSVIVKDG-AAEUAGOBSA-N 1 2 294.786 1.812 20 30 CDEDLO Cc1[nH+]cc(C=NNC(=S)N[C@@H](C)C2CC2)n1C ZINC000853315982 695158613 /nfs/dbraw/zinc/15/86/13/695158613.db2.gz DDNWSKSBWIPAGK-QMMMGPOBSA-N 1 2 265.386 1.325 20 30 CDEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CCF)C2)nc1 ZINC001033597392 694005862 /nfs/dbraw/zinc/00/58/62/694005862.db2.gz WNZHJGPYIBNWLW-CYBMUJFWSA-N 1 2 275.327 1.179 20 30 CDEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CCF)C2)nc1 ZINC001033597392 694005865 /nfs/dbraw/zinc/00/58/65/694005865.db2.gz WNZHJGPYIBNWLW-CYBMUJFWSA-N 1 2 275.327 1.179 20 30 CDEDLO CN(C)c1cc(COC(=O)c2cccc(C#N)n2)cc[nH+]1 ZINC000810665382 694034055 /nfs/dbraw/zinc/03/40/55/694034055.db2.gz XEZPUXCDFFFMNV-UHFFFAOYSA-N 1 2 282.303 1.771 20 30 CDEDLO Cn1cc[nH+]c1NN=Cc1ccc2c(c1)nnn2C ZINC000790305699 694040253 /nfs/dbraw/zinc/04/02/53/694040253.db2.gz NEBDEXCLCNQTHH-UHFFFAOYSA-N 1 2 255.285 1.148 20 30 CDEDLO C=CCCCC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000846616500 694080303 /nfs/dbraw/zinc/08/03/03/694080303.db2.gz ANTGZKAEIZGGJG-UHFFFAOYSA-N 1 2 284.400 1.150 20 30 CDEDLO COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000879220460 694079082 /nfs/dbraw/zinc/07/90/82/694079082.db2.gz OFFQXYGHGOUSEK-OKILXGFUSA-N 1 2 294.395 1.720 20 30 CDEDLO COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000879220460 694079090 /nfs/dbraw/zinc/07/90/90/694079090.db2.gz OFFQXYGHGOUSEK-OKILXGFUSA-N 1 2 294.395 1.720 20 30 CDEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)Cc1[nH]cc[nH+]1 ZINC000821187946 694079660 /nfs/dbraw/zinc/07/96/60/694079660.db2.gz MUCVEAIZEGKUKD-UHFFFAOYSA-N 1 2 298.346 1.499 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nnc1C ZINC001017579972 694112530 /nfs/dbraw/zinc/11/25/30/694112530.db2.gz CONXRFBUIOPBMZ-OKILXGFUSA-N 1 2 284.363 1.015 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nnc1C ZINC001017579972 694112541 /nfs/dbraw/zinc/11/25/41/694112541.db2.gz CONXRFBUIOPBMZ-OKILXGFUSA-N 1 2 284.363 1.015 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2ccccc21 ZINC001038403088 688202671 /nfs/dbraw/zinc/20/26/71/688202671.db2.gz BJDTZHIUMUMLNF-NVXWUHKLSA-N 1 2 282.387 1.930 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2ccccc21 ZINC001038403088 688202677 /nfs/dbraw/zinc/20/26/77/688202677.db2.gz BJDTZHIUMUMLNF-NVXWUHKLSA-N 1 2 282.387 1.930 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC13CC3)CO2 ZINC001053937208 688204947 /nfs/dbraw/zinc/20/49/47/688204947.db2.gz AJADPFAEGFPIDZ-STQMWFEESA-N 1 2 276.380 1.322 20 30 CDEDLO Cn1c[nH+]cc1CCOC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000837903156 688239359 /nfs/dbraw/zinc/23/93/59/688239359.db2.gz SBAFUFCIYICAIA-HNNXBMFYSA-N 1 2 273.336 1.980 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCc3cccnc32)C1 ZINC001043668283 688256926 /nfs/dbraw/zinc/25/69/26/688256926.db2.gz WIZRCSKHZWEYDL-CQSZACIVSA-N 1 2 271.364 1.440 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnc3cc(C)ccn23)C1 ZINC001030364090 688280328 /nfs/dbraw/zinc/28/03/28/688280328.db2.gz QPPFPPSCDGXTDD-UHFFFAOYSA-N 1 2 284.363 1.633 20 30 CDEDLO CC(C)[C@H]([NH2+]CCO[C@@H](C)C#N)C(=O)OC(C)(C)C ZINC000801941767 694187134 /nfs/dbraw/zinc/18/71/34/694187134.db2.gz VZRQCRINWKAZHT-RYUDHWBXSA-N 1 2 270.373 1.871 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2csc(C)n2)C1 ZINC001044268657 688305622 /nfs/dbraw/zinc/30/56/22/688305622.db2.gz UYJQEHSRMBMTTA-UHFFFAOYSA-N 1 2 265.382 1.323 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(-c2ccccc2)[nH]1 ZINC001038757650 688328814 /nfs/dbraw/zinc/32/88/14/688328814.db2.gz QMBQBJRMTJZNNU-CQSZACIVSA-N 1 2 294.358 1.514 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(-c2ccccc2)[nH]1 ZINC001038757650 688328819 /nfs/dbraw/zinc/32/88/19/688328819.db2.gz QMBQBJRMTJZNNU-CQSZACIVSA-N 1 2 294.358 1.514 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC001043419912 688349952 /nfs/dbraw/zinc/34/99/52/688349952.db2.gz MQJDLDXZKCMBBK-CABCVRRESA-N 1 2 278.396 1.663 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccoc1Cl ZINC001038205855 688355602 /nfs/dbraw/zinc/35/56/02/688355602.db2.gz XDBMQWJBPUYXEY-SECBINFHSA-N 1 2 252.701 1.370 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccoc1Cl ZINC001038205855 688355609 /nfs/dbraw/zinc/35/56/09/688355609.db2.gz XDBMQWJBPUYXEY-SECBINFHSA-N 1 2 252.701 1.370 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2[nH]ncc2F)CC[C@H]1C ZINC001071800206 688408883 /nfs/dbraw/zinc/40/88/83/688408883.db2.gz SNHFPDYQMYHHIZ-ZJUUUORDSA-N 1 2 266.320 1.318 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2[nH]ncc2F)CC[C@H]1C ZINC001071800206 688408886 /nfs/dbraw/zinc/40/88/86/688408886.db2.gz SNHFPDYQMYHHIZ-ZJUUUORDSA-N 1 2 266.320 1.318 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CC2(CC2)C1 ZINC001051110255 688465081 /nfs/dbraw/zinc/46/50/81/688465081.db2.gz XALPJOZWHOUYAN-AWEZNQCLSA-N 1 2 278.396 1.570 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C1CC2(CC2)C1 ZINC001051110255 688465087 /nfs/dbraw/zinc/46/50/87/688465087.db2.gz XALPJOZWHOUYAN-AWEZNQCLSA-N 1 2 278.396 1.570 20 30 CDEDLO CNC(=O)C1([NH2+]Cc2cccc(F)c2C#N)CCOCC1 ZINC000887091160 688495269 /nfs/dbraw/zinc/49/52/69/688495269.db2.gz BJBDJQGKTLCTNV-UHFFFAOYSA-N 1 2 291.326 1.082 20 30 CDEDLO COCC#CCO[NH+]=C(N)Cc1ccc(OC)c(OC)c1 ZINC000775682527 688509073 /nfs/dbraw/zinc/50/90/73/688509073.db2.gz YFRORYIQQOXBBI-UHFFFAOYSA-N 1 2 292.335 1.395 20 30 CDEDLO CC(C)[C@@H]([NH2+]CCO[C@H](C)C#N)C(=O)OC(C)(C)C ZINC000801940334 688513078 /nfs/dbraw/zinc/51/30/78/688513078.db2.gz VZRQCRINWKAZHT-VXGBXAGGSA-N 1 2 270.373 1.871 20 30 CDEDLO C=C(C)C[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(=O)OCC ZINC000881756239 688521503 /nfs/dbraw/zinc/52/15/03/688521503.db2.gz UUTROQALDRPSOI-WCQYABFASA-N 1 2 293.367 1.602 20 30 CDEDLO C=C(C)C[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(=O)OCC ZINC000881756239 688521511 /nfs/dbraw/zinc/52/15/11/688521511.db2.gz UUTROQALDRPSOI-WCQYABFASA-N 1 2 293.367 1.602 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(C)o1 ZINC001017490196 688597008 /nfs/dbraw/zinc/59/70/08/688597008.db2.gz VBRFVCXCSXGLRR-OKILXGFUSA-N 1 2 272.348 1.439 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(C)o1 ZINC001017490196 688597018 /nfs/dbraw/zinc/59/70/18/688597018.db2.gz VBRFVCXCSXGLRR-OKILXGFUSA-N 1 2 272.348 1.439 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccnc1C(F)F ZINC001038507649 688611041 /nfs/dbraw/zinc/61/10/41/688611041.db2.gz RLVVYNPMMHLLFG-JTQLQIEISA-N 1 2 279.290 1.457 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccnc1C(F)F ZINC001038507649 688611053 /nfs/dbraw/zinc/61/10/53/688611053.db2.gz RLVVYNPMMHLLFG-JTQLQIEISA-N 1 2 279.290 1.457 20 30 CDEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnco3)C[C@@H]21 ZINC001074307721 688642005 /nfs/dbraw/zinc/64/20/05/688642005.db2.gz NHURIOQATQLBQS-STQMWFEESA-N 1 2 291.351 1.166 20 30 CDEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnco3)C[C@@H]21 ZINC001074307721 688642024 /nfs/dbraw/zinc/64/20/24/688642024.db2.gz NHURIOQATQLBQS-STQMWFEESA-N 1 2 291.351 1.166 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2cnc([C@@H](C)OC)s2)C1 ZINC001030314515 688670987 /nfs/dbraw/zinc/67/09/87/688670987.db2.gz CZXOEDPZHXIIAN-SNVBAGLBSA-N 1 2 295.408 1.841 20 30 CDEDLO O=C(C#CC1CC1)N1CC[C@@H]2CC[N@H+](Cc3ccon3)[C@H]2C1 ZINC001042056661 688747964 /nfs/dbraw/zinc/74/79/64/688747964.db2.gz ARRPWXFNDSOEAE-HOCLYGCPSA-N 1 2 299.374 1.511 20 30 CDEDLO O=C(C#CC1CC1)N1CC[C@@H]2CC[N@@H+](Cc3ccon3)[C@H]2C1 ZINC001042056661 688747975 /nfs/dbraw/zinc/74/79/75/688747975.db2.gz ARRPWXFNDSOEAE-HOCLYGCPSA-N 1 2 299.374 1.511 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@]2(C)[C@@H]3Cc4ccccc4[C@@H]32)C1 ZINC001030572590 688782150 /nfs/dbraw/zinc/78/21/50/688782150.db2.gz DTARCJSPCSFDOC-ZIFCJYIRSA-N 1 2 294.398 1.786 20 30 CDEDLO CC[C@@H](C#N)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000845270515 688791183 /nfs/dbraw/zinc/79/11/83/688791183.db2.gz UWSWOKWMMABMDL-RYUDHWBXSA-N 1 2 262.357 1.964 20 30 CDEDLO CCN1C(=O)CN(C[N@H+](C)Cc2ccc(C#N)cc2)C1=O ZINC000122119124 688804645 /nfs/dbraw/zinc/80/46/45/688804645.db2.gz QPAPPDYDBGMZTG-UHFFFAOYSA-N 1 2 286.335 1.232 20 30 CDEDLO CCN1C(=O)CN(C[N@@H+](C)Cc2ccc(C#N)cc2)C1=O ZINC000122119124 688804648 /nfs/dbraw/zinc/80/46/48/688804648.db2.gz QPAPPDYDBGMZTG-UHFFFAOYSA-N 1 2 286.335 1.232 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1csc(C)n1 ZINC001051082632 688815669 /nfs/dbraw/zinc/81/56/69/688815669.db2.gz UTLGIKGYOBSGGF-LBPRGKRZSA-N 1 2 295.408 1.458 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1csc(C)n1 ZINC001051082632 688815671 /nfs/dbraw/zinc/81/56/71/688815671.db2.gz UTLGIKGYOBSGGF-LBPRGKRZSA-N 1 2 295.408 1.458 20 30 CDEDLO N#CC[C@@H](O)C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000809573607 688822164 /nfs/dbraw/zinc/82/21/64/688822164.db2.gz RPJGTYKUPFYXJC-BBOMDTFKSA-N 1 2 285.391 1.592 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H](F)c2ccccc2)C1 ZINC001043979628 688825569 /nfs/dbraw/zinc/82/55/69/688825569.db2.gz CEGXMEQKXNLOMV-HNNXBMFYSA-N 1 2 274.339 1.863 20 30 CDEDLO C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1n1cc[nH+]c1 ZINC000837466783 688865288 /nfs/dbraw/zinc/86/52/88/688865288.db2.gz CCWXBSNKVNVLBW-TZMCWYRMSA-N 1 2 257.337 1.706 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2cc(F)ccc21 ZINC001038517504 688896818 /nfs/dbraw/zinc/89/68/18/688896818.db2.gz NFKZYJJHLREHQD-GOEBONIOSA-N 1 2 286.350 1.679 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2cc(F)ccc21 ZINC001038517504 688896823 /nfs/dbraw/zinc/89/68/23/688896823.db2.gz NFKZYJJHLREHQD-GOEBONIOSA-N 1 2 286.350 1.679 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C2CCC2)C1 ZINC000884415335 694298506 /nfs/dbraw/zinc/29/85/06/694298506.db2.gz QSWULDDCLKMEII-KBPBESRZSA-N 1 2 294.395 1.472 20 30 CDEDLO C=C(Br)C[NH2+]Cc1cc(C(=O)OCC)no1 ZINC000877020452 694302684 /nfs/dbraw/zinc/30/26/84/694302684.db2.gz UFYUNOPORXBTBM-UHFFFAOYSA-N 1 2 289.129 1.850 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C(/C)C1CC1 ZINC001017380716 694308080 /nfs/dbraw/zinc/30/80/80/694308080.db2.gz YXWSDTSXTOTRSS-IQPYWVBFSA-N 1 2 258.365 1.651 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C(/C)C1CC1 ZINC001017380716 694308087 /nfs/dbraw/zinc/30/80/87/694308087.db2.gz YXWSDTSXTOTRSS-IQPYWVBFSA-N 1 2 258.365 1.651 20 30 CDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+]([C@@H](C)COC)C1 ZINC001031077271 694322587 /nfs/dbraw/zinc/32/25/87/694322587.db2.gz LKFOUWHSKVGJFV-QEJZJMRPSA-N 1 2 296.411 1.193 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)OC[C@H]1Cc1ccccc1 ZINC000848484676 694322709 /nfs/dbraw/zinc/32/27/09/694322709.db2.gz CAUFNULPSCZGIK-UKRRQHHQSA-N 1 2 272.348 1.961 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)OC[C@H]1Cc1ccccc1 ZINC000848484676 694322714 /nfs/dbraw/zinc/32/27/14/694322714.db2.gz CAUFNULPSCZGIK-UKRRQHHQSA-N 1 2 272.348 1.961 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CCC)c1 ZINC001018010905 694323836 /nfs/dbraw/zinc/32/38/36/694323836.db2.gz XLYLNRVVEIDYLY-GASCZTMLSA-N 1 2 286.379 1.215 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CCC)c1 ZINC001018010905 694323842 /nfs/dbraw/zinc/32/38/42/694323842.db2.gz XLYLNRVVEIDYLY-GASCZTMLSA-N 1 2 286.379 1.215 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C1 ZINC001031089256 694327470 /nfs/dbraw/zinc/32/74/70/694327470.db2.gz CLWUQQXQQISFPR-IAGOWNOFSA-N 1 2 298.386 1.383 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2occc2Cl)C1 ZINC001035495428 694351878 /nfs/dbraw/zinc/35/18/78/694351878.db2.gz JWVFDYVXLLTWSP-NSHDSACASA-N 1 2 298.770 1.940 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2occc2Cl)C1 ZINC001035495428 694351881 /nfs/dbraw/zinc/35/18/81/694351881.db2.gz JWVFDYVXLLTWSP-NSHDSACASA-N 1 2 298.770 1.940 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1CCC(CC)CC1 ZINC000884099454 694377613 /nfs/dbraw/zinc/37/76/13/694377613.db2.gz ORONHXVQMLZRNV-RUXDESIVSA-N 1 2 296.411 1.766 20 30 CDEDLO C=C[C@@](C)(O)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000829046728 694430170 /nfs/dbraw/zinc/43/01/70/694430170.db2.gz ACDMUEQVHGTSRR-CYBMUJFWSA-N 1 2 276.327 1.111 20 30 CDEDLO C=C[C@@](C)(O)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000829046728 694430171 /nfs/dbraw/zinc/43/01/71/694430171.db2.gz ACDMUEQVHGTSRR-CYBMUJFWSA-N 1 2 276.327 1.111 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccc3[nH]ncc32)C1 ZINC001043502652 694430921 /nfs/dbraw/zinc/43/09/21/694430921.db2.gz HGQYKVAZCOZHST-UHFFFAOYSA-N 1 2 284.363 1.895 20 30 CDEDLO C[C@@]1(C#N)CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CCO1 ZINC000887680621 694433928 /nfs/dbraw/zinc/43/39/28/694433928.db2.gz JRYRHRZWHGWUBH-OAHLLOKOSA-N 1 2 297.318 1.022 20 30 CDEDLO CNc1ccccc1C=[NH+]NC(=S)NC[C@@H]1CCCO1 ZINC000872330907 694477779 /nfs/dbraw/zinc/47/77/79/694477779.db2.gz WYRNXGJRLDTQCW-LBPRGKRZSA-N 1 2 292.408 1.705 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC=CCC1)O2 ZINC001053572967 694505073 /nfs/dbraw/zinc/50/50/73/694505073.db2.gz YGSDINKENVYCRL-GJZGRUSLSA-N 1 2 290.407 1.878 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1CC=CC1)CO2 ZINC001053762122 692133048 /nfs/dbraw/zinc/13/30/48/692133048.db2.gz REUHTMCZXJTMEJ-AWEZNQCLSA-N 1 2 276.380 1.488 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2c(cccc2C)O1 ZINC001032734933 692154588 /nfs/dbraw/zinc/15/45/88/692154588.db2.gz KLRNPDZDZGVCFZ-ZQIUZPCESA-N 1 2 296.370 1.217 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2c(cccc2C)O1 ZINC001032734933 692154594 /nfs/dbraw/zinc/15/45/94/692154594.db2.gz KLRNPDZDZGVCFZ-ZQIUZPCESA-N 1 2 296.370 1.217 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(CCC)on2)C1 ZINC001044120859 692183254 /nfs/dbraw/zinc/18/32/54/692183254.db2.gz HUNSNETWFRETRH-UHFFFAOYSA-N 1 2 277.368 1.959 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cccc(CC#N)n1 ZINC000881150752 692220273 /nfs/dbraw/zinc/22/02/73/692220273.db2.gz RWRRCTIRULWGMT-UHFFFAOYSA-N 1 2 298.350 1.898 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cncc(C)c2)C1 ZINC001010424433 692224469 /nfs/dbraw/zinc/22/44/69/692224469.db2.gz NAKVGXOSQYSCRI-ZDUSSCGKSA-N 1 2 279.771 1.947 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cncc(C)c2)C1 ZINC001010424433 692224472 /nfs/dbraw/zinc/22/44/72/692224472.db2.gz NAKVGXOSQYSCRI-ZDUSSCGKSA-N 1 2 279.771 1.947 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC1CCCC1 ZINC000884082673 692243196 /nfs/dbraw/zinc/24/31/96/692243196.db2.gz QAEKRRZMHGERCI-LBPRGKRZSA-N 1 2 268.357 1.130 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ocnc2-c2ccccc2)C1 ZINC001030415643 692245105 /nfs/dbraw/zinc/24/51/05/692245105.db2.gz KZWSDZULHWZRMT-UHFFFAOYSA-N 1 2 295.342 1.779 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2n[nH]cc2c1 ZINC001032593057 692256132 /nfs/dbraw/zinc/25/61/32/692256132.db2.gz RECSGCWXGWLAJG-GJZGRUSLSA-N 1 2 294.358 1.485 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2n[nH]cc2c1 ZINC001032593057 692256135 /nfs/dbraw/zinc/25/61/35/692256135.db2.gz RECSGCWXGWLAJG-GJZGRUSLSA-N 1 2 294.358 1.485 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCC)C[C@H]21 ZINC001074143800 692259709 /nfs/dbraw/zinc/25/97/09/692259709.db2.gz DYOMJBDKYDBBON-ZIAGYGMSSA-N 1 2 264.369 1.112 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCC)C[C@H]21 ZINC001074143800 692259714 /nfs/dbraw/zinc/25/97/14/692259714.db2.gz DYOMJBDKYDBBON-ZIAGYGMSSA-N 1 2 264.369 1.112 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCCc1ccccc1 ZINC000884047255 692268996 /nfs/dbraw/zinc/26/89/96/692268996.db2.gz LJXSZBJUGAXRCS-AWEZNQCLSA-N 1 2 290.363 1.182 20 30 CDEDLO C(=NN[C@@H]1CCCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000780261096 692276462 /nfs/dbraw/zinc/27/64/62/692276462.db2.gz KQTYRDOPPWWKMO-CQSZACIVSA-N 1 2 270.336 1.975 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2nc(C)ccc2o1 ZINC001038931632 692301901 /nfs/dbraw/zinc/30/19/01/692301901.db2.gz VQENASNXJOPGJE-ZDUSSCGKSA-N 1 2 297.358 1.964 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2nc(C)ccc2o1 ZINC001038931632 692301903 /nfs/dbraw/zinc/30/19/03/692301903.db2.gz VQENASNXJOPGJE-ZDUSSCGKSA-N 1 2 297.358 1.964 20 30 CDEDLO CS[C@@H]1CC[N@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000840114351 692304969 /nfs/dbraw/zinc/30/49/69/692304969.db2.gz QZDVJCHUYYSHKE-LLVKDONJSA-N 1 2 263.366 1.423 20 30 CDEDLO CS[C@@H]1CC[N@@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000840114351 692304972 /nfs/dbraw/zinc/30/49/72/692304972.db2.gz QZDVJCHUYYSHKE-LLVKDONJSA-N 1 2 263.366 1.423 20 30 CDEDLO CC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCN(CC#N)CC1 ZINC001045476693 692320612 /nfs/dbraw/zinc/32/06/12/692320612.db2.gz YAZCRFZURJCEMM-UHFFFAOYSA-N 1 2 297.362 1.671 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(C)noc2CCC)C1 ZINC001042713522 692325539 /nfs/dbraw/zinc/32/55/39/692325539.db2.gz BEYSCXPJVQCYNL-UHFFFAOYSA-N 1 2 289.379 1.715 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2C)C1 ZINC001033326711 692344127 /nfs/dbraw/zinc/34/41/27/692344127.db2.gz XEEWVDLFBYHDNV-ADEWGFFLSA-N 1 2 256.777 1.928 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2C)C1 ZINC001033326711 692344131 /nfs/dbraw/zinc/34/41/31/692344131.db2.gz XEEWVDLFBYHDNV-ADEWGFFLSA-N 1 2 256.777 1.928 20 30 CDEDLO C#CC1(NC(=O)NCC[N@H+]2CCOCC2(C)C)CCCC1 ZINC000883321369 692353461 /nfs/dbraw/zinc/35/34/61/692353461.db2.gz BCDNYVORDPKQPH-UHFFFAOYSA-N 1 2 293.411 1.342 20 30 CDEDLO C#CC1(NC(=O)NCC[N@@H+]2CCOCC2(C)C)CCCC1 ZINC000883321369 692353466 /nfs/dbraw/zinc/35/34/66/692353466.db2.gz BCDNYVORDPKQPH-UHFFFAOYSA-N 1 2 293.411 1.342 20 30 CDEDLO C=CCCCCC[N@@H+](C)Cc1nnc2c(=O)[nH]ccn12 ZINC000878125409 692358076 /nfs/dbraw/zinc/35/80/76/692358076.db2.gz ODPHJRPQHOMZOM-UHFFFAOYSA-N 1 2 275.356 1.596 20 30 CDEDLO C=CCCCCC[N@H+](C)Cc1nnc2c(=O)[nH]ccn12 ZINC000878125409 692358080 /nfs/dbraw/zinc/35/80/80/692358080.db2.gz ODPHJRPQHOMZOM-UHFFFAOYSA-N 1 2 275.356 1.596 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)c2c(C)noc2C)C1 ZINC001031102233 692359905 /nfs/dbraw/zinc/35/99/05/692359905.db2.gz VXPFKDWCXABSJN-JTQLQIEISA-N 1 2 277.368 1.771 20 30 CDEDLO COCC[N@H+](CCC#N)Cc1cc(OC)ccc1O ZINC000775676979 692400054 /nfs/dbraw/zinc/40/00/54/692400054.db2.gz FCPSTKRWXGLCTN-UHFFFAOYSA-N 1 2 264.325 1.763 20 30 CDEDLO COCC[N@@H+](CCC#N)Cc1cc(OC)ccc1O ZINC000775676979 692400057 /nfs/dbraw/zinc/40/00/57/692400057.db2.gz FCPSTKRWXGLCTN-UHFFFAOYSA-N 1 2 264.325 1.763 20 30 CDEDLO N#CCOc1ccccc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857948041 692420377 /nfs/dbraw/zinc/42/03/77/692420377.db2.gz WXLNSBRBQXSHNA-GFCCVEGCSA-N 1 2 296.330 1.530 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccsn1 ZINC001050975738 692443877 /nfs/dbraw/zinc/44/38/77/692443877.db2.gz MJGYULHADKRVKC-LBPRGKRZSA-N 1 2 295.408 1.540 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccsn1 ZINC001050975738 692443880 /nfs/dbraw/zinc/44/38/80/692443880.db2.gz MJGYULHADKRVKC-LBPRGKRZSA-N 1 2 295.408 1.540 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001014767621 692482510 /nfs/dbraw/zinc/48/25/10/692482510.db2.gz SHFBVRCLKSUQTE-SNVBAGLBSA-N 1 2 294.786 1.453 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001014767621 692482517 /nfs/dbraw/zinc/48/25/17/692482517.db2.gz SHFBVRCLKSUQTE-SNVBAGLBSA-N 1 2 294.786 1.453 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000999893662 692520274 /nfs/dbraw/zinc/52/02/74/692520274.db2.gz JWNPUGHKLGHSLX-LLVKDONJSA-N 1 2 294.424 1.831 20 30 CDEDLO C=CC[N@H+]1C[C@H](NC(=O)c2[nH]nc3c2CCC3)CC[C@@H]1C ZINC001071639911 692522972 /nfs/dbraw/zinc/52/29/72/692522972.db2.gz XMBKASAAGHKPSX-NWDGAFQWSA-N 1 2 288.395 1.667 20 30 CDEDLO C=CC[N@@H+]1C[C@H](NC(=O)c2[nH]nc3c2CCC3)CC[C@@H]1C ZINC001071639911 692522981 /nfs/dbraw/zinc/52/29/81/692522981.db2.gz XMBKASAAGHKPSX-NWDGAFQWSA-N 1 2 288.395 1.667 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C=C1CCC1)CCO2 ZINC001053215796 692563458 /nfs/dbraw/zinc/56/34/58/692563458.db2.gz IVHDTGYVLUSLKS-UHFFFAOYSA-N 1 2 276.380 1.586 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1CC2(C1)CCOCC2 ZINC001038927361 692576326 /nfs/dbraw/zinc/57/63/26/692576326.db2.gz VQKRGKHGZYTNEB-AWEZNQCLSA-N 1 2 276.380 1.017 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1CC2(C1)CCOCC2 ZINC001038927361 692576335 /nfs/dbraw/zinc/57/63/35/692576335.db2.gz VQKRGKHGZYTNEB-AWEZNQCLSA-N 1 2 276.380 1.017 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2Cc3c(cccc3C)O2)C1 ZINC001044195463 692639702 /nfs/dbraw/zinc/63/97/02/692639702.db2.gz UZVWNMCKOKWVPT-KRWDZBQOSA-N 1 2 298.386 1.464 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001038667014 692648271 /nfs/dbraw/zinc/64/82/71/692648271.db2.gz WRTNGVVKBRTSJI-IIAWOOMASA-N 1 2 260.381 1.781 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001038667014 692648262 /nfs/dbraw/zinc/64/82/62/692648262.db2.gz WRTNGVVKBRTSJI-IIAWOOMASA-N 1 2 260.381 1.781 20 30 CDEDLO Cc1ccc(NC(=O)N2CCO[C@H](C#N)C2)c(N(C)C)[nH+]1 ZINC000162324241 692655995 /nfs/dbraw/zinc/65/59/95/692655995.db2.gz DGUXMIYYOUNRMJ-LLVKDONJSA-N 1 2 289.339 1.212 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3c(c2)N(C)CC3)C1 ZINC001031332602 692663272 /nfs/dbraw/zinc/66/32/72/692663272.db2.gz JPMQQTOGOYASCQ-UHFFFAOYSA-N 1 2 285.391 1.669 20 30 CDEDLO O=C(C#CC1CC1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000837364411 692679653 /nfs/dbraw/zinc/67/96/53/692679653.db2.gz ZEKRWDWXBFNSKQ-UHFFFAOYSA-N 1 2 284.359 1.871 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2cn(C(C)C)nn2)CC1 ZINC000886778806 692717324 /nfs/dbraw/zinc/71/73/24/692717324.db2.gz VKDYHSOTSQVMJI-UHFFFAOYSA-N 1 2 264.373 1.762 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc2c(=O)[nH]ccc12 ZINC000836908214 694549547 /nfs/dbraw/zinc/54/95/47/694549547.db2.gz WRXCYJDHYKAHCY-HNNXBMFYSA-N 1 2 295.342 1.977 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc2c(=O)[nH]ccc12 ZINC000836908214 694549567 /nfs/dbraw/zinc/54/95/67/694549567.db2.gz WRXCYJDHYKAHCY-HNNXBMFYSA-N 1 2 295.342 1.977 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2c(C)cc(C)[nH]c2=O)C1 ZINC001030830573 694553071 /nfs/dbraw/zinc/55/30/71/694553071.db2.gz QZMVJOLPNZHGSX-UHFFFAOYSA-N 1 2 289.379 1.323 20 30 CDEDLO O=C(C#CC1CC1)N1CCC[N@H+](Cc2cncs2)CC1 ZINC000981126649 692811046 /nfs/dbraw/zinc/81/10/46/692811046.db2.gz ZAVDZTJOLOVYQH-UHFFFAOYSA-N 1 2 289.404 1.591 20 30 CDEDLO O=C(C#CC1CC1)N1CCC[N@@H+](Cc2cncs2)CC1 ZINC000981126649 692811049 /nfs/dbraw/zinc/81/10/49/692811049.db2.gz ZAVDZTJOLOVYQH-UHFFFAOYSA-N 1 2 289.404 1.591 20 30 CDEDLO Cc1ccc(N2CC[NH+](Cc3ccncc3)CC2)c(C#N)n1 ZINC000881768553 692823739 /nfs/dbraw/zinc/82/37/39/692823739.db2.gz AOAALNGSQQEOBK-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO COC[C@H](C#N)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000857067366 692831335 /nfs/dbraw/zinc/83/13/35/692831335.db2.gz KPYXUNAESLMMTI-GJZGRUSLSA-N 1 2 288.347 1.733 20 30 CDEDLO COC[C@H](C#N)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000857067366 692831336 /nfs/dbraw/zinc/83/13/36/692831336.db2.gz KPYXUNAESLMMTI-GJZGRUSLSA-N 1 2 288.347 1.733 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(CC)nn(C)c1Cl ZINC001038889887 692842335 /nfs/dbraw/zinc/84/23/35/692842335.db2.gz MPVVKWYLRMSIGR-JTQLQIEISA-N 1 2 294.786 1.073 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(CC)nn(C)c1Cl ZINC001038889887 692842336 /nfs/dbraw/zinc/84/23/36/692842336.db2.gz MPVVKWYLRMSIGR-JTQLQIEISA-N 1 2 294.786 1.073 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c(C)noc1Cl ZINC001032681140 692846283 /nfs/dbraw/zinc/84/62/83/692846283.db2.gz JEKWUWYBTNSAAD-QWRGUYRKSA-N 1 2 293.754 1.097 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c(C)noc1Cl ZINC001032681140 692846285 /nfs/dbraw/zinc/84/62/85/692846285.db2.gz JEKWUWYBTNSAAD-QWRGUYRKSA-N 1 2 293.754 1.097 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001042865157 692847721 /nfs/dbraw/zinc/84/77/21/692847721.db2.gz DYVYIFUSPUYLMS-JTQLQIEISA-N 1 2 258.312 1.750 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn2ccccc2n1 ZINC001038984517 692850941 /nfs/dbraw/zinc/85/09/41/692850941.db2.gz GPCBNYSALRRBNR-ZDUSSCGKSA-N 1 2 282.347 1.162 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cn2ccccc2n1 ZINC001038984517 692850942 /nfs/dbraw/zinc/85/09/42/692850942.db2.gz GPCBNYSALRRBNR-ZDUSSCGKSA-N 1 2 282.347 1.162 20 30 CDEDLO C#CCNC(=O)C1CCN(c2cc[nH+]cc2F)CC1 ZINC000881869011 692851697 /nfs/dbraw/zinc/85/16/97/692851697.db2.gz DNSGZMKMCFYGRS-UHFFFAOYSA-N 1 2 261.300 1.187 20 30 CDEDLO C=C1CCC(C(=O)NC[C@@H]2COCC[N@H+]2CCC)CC1 ZINC001051100313 692883991 /nfs/dbraw/zinc/88/39/91/692883991.db2.gz RKKUQYJATQPBOI-OAHLLOKOSA-N 1 2 280.412 1.960 20 30 CDEDLO C=C1CCC(C(=O)NC[C@@H]2COCC[N@@H+]2CCC)CC1 ZINC001051100313 692883993 /nfs/dbraw/zinc/88/39/93/692883993.db2.gz RKKUQYJATQPBOI-OAHLLOKOSA-N 1 2 280.412 1.960 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001017851875 692897225 /nfs/dbraw/zinc/89/72/25/692897225.db2.gz IWGHLLWWLMUUAH-HLLBOEOZSA-N 1 2 298.361 1.774 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001017851875 692897226 /nfs/dbraw/zinc/89/72/26/692897226.db2.gz IWGHLLWWLMUUAH-HLLBOEOZSA-N 1 2 298.361 1.774 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCF)c1 ZINC001029259428 692973153 /nfs/dbraw/zinc/97/31/53/692973153.db2.gz FBCCJQJSYXECBX-TXEJJXNPSA-N 1 2 276.315 1.145 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCF)c1 ZINC001029259428 692973160 /nfs/dbraw/zinc/97/31/60/692973160.db2.gz FBCCJQJSYXECBX-TXEJJXNPSA-N 1 2 276.315 1.145 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C12CC(C(F)(F)F)(C1)C2 ZINC001039058986 693022669 /nfs/dbraw/zinc/02/26/69/693022669.db2.gz POJRMGIXUGNXKF-PKSQDBQZSA-N 1 2 286.297 1.543 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C12CC(C(F)(F)F)(C1)C2 ZINC001039058986 693022671 /nfs/dbraw/zinc/02/26/71/693022671.db2.gz POJRMGIXUGNXKF-PKSQDBQZSA-N 1 2 286.297 1.543 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2CCO[C@H](C(C)C)C2)C1 ZINC001031214843 693030054 /nfs/dbraw/zinc/03/00/54/693030054.db2.gz OFPNEUVDXYDAJR-HOCLYGCPSA-N 1 2 292.423 1.651 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C1CC3(CC3)C1)O2 ZINC001053659705 694571521 /nfs/dbraw/zinc/57/15/21/694571521.db2.gz WYSKSPLXVCUZOG-CQSZACIVSA-N 1 2 290.407 1.712 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)C1CC1)O2 ZINC001053556914 693076412 /nfs/dbraw/zinc/07/64/12/693076412.db2.gz VXGXCIVAKGXRGO-CYBMUJFWSA-N 1 2 264.369 1.322 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CCC)on1 ZINC001032709887 693084963 /nfs/dbraw/zinc/08/49/63/693084963.db2.gz LKFIUNLBHHBLBW-STQMWFEESA-N 1 2 287.363 1.549 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CCC)on1 ZINC001032709887 693084967 /nfs/dbraw/zinc/08/49/67/693084967.db2.gz LKFIUNLBHHBLBW-STQMWFEESA-N 1 2 287.363 1.549 20 30 CDEDLO CNC(=O)c1cccc(CO[NH+]=C(N)Cc2cccnc2)c1 ZINC000092915472 693093517 /nfs/dbraw/zinc/09/35/17/693093517.db2.gz NYMMAMDYMBANGJ-UHFFFAOYSA-N 1 2 298.346 1.473 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(OC)cc1F ZINC000884451281 693098811 /nfs/dbraw/zinc/09/88/11/693098811.db2.gz KFSRWVAHBBVHPZ-NSHDSACASA-N 1 2 296.298 1.219 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3(CC)CC3)C[C@@H]21 ZINC001074331465 693098858 /nfs/dbraw/zinc/09/88/58/693098858.db2.gz HQZILARISGGJHJ-GJZGRUSLSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3(CC)CC3)C[C@@H]21 ZINC001074331465 693098862 /nfs/dbraw/zinc/09/88/62/693098862.db2.gz HQZILARISGGJHJ-GJZGRUSLSA-N 1 2 290.407 1.502 20 30 CDEDLO CCCN(CCC)C(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000092915410 693112143 /nfs/dbraw/zinc/11/21/43/693112143.db2.gz APLMYNIXRIUBJM-UHFFFAOYSA-N 1 2 292.383 1.562 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(C#N)CC1 ZINC000925584056 693140031 /nfs/dbraw/zinc/14/00/31/693140031.db2.gz JHWOXOGAARDWEB-CQSZACIVSA-N 1 2 294.399 1.042 20 30 CDEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CC(C)C)C2)CC1 ZINC001051975096 693170531 /nfs/dbraw/zinc/17/05/31/693170531.db2.gz OLVPLHQYWSWLDA-MRXNPFEDSA-N 1 2 291.439 1.274 20 30 CDEDLO C[C@H](C#N)N(CN1C[C@H](c2c[nH+]cn2C)CC1=O)C1CC1 ZINC000853546685 693203578 /nfs/dbraw/zinc/20/35/78/693203578.db2.gz GWQWVKRPLDGZLV-VXGBXAGGSA-N 1 2 287.367 1.070 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC12CCCC2 ZINC001032717052 693213078 /nfs/dbraw/zinc/21/30/78/693213078.db2.gz PGNBGNRRMGUJLX-MELADBBJSA-N 1 2 258.365 1.485 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC12CCCC2 ZINC001032717052 693213086 /nfs/dbraw/zinc/21/30/86/693213086.db2.gz PGNBGNRRMGUJLX-MELADBBJSA-N 1 2 258.365 1.485 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2[nH]ccc2c1 ZINC001038372928 693215209 /nfs/dbraw/zinc/21/52/09/693215209.db2.gz FGQPYFNZHBLYBL-CQSZACIVSA-N 1 2 282.347 1.342 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2[nH]ccc2c1 ZINC001038372928 693215213 /nfs/dbraw/zinc/21/52/13/693215213.db2.gz FGQPYFNZHBLYBL-CQSZACIVSA-N 1 2 282.347 1.342 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)NCc1cc(C#N)ccc1F ZINC000806944179 693220600 /nfs/dbraw/zinc/22/06/00/693220600.db2.gz CDBQKKLZYHSYQA-UHFFFAOYSA-N 1 2 272.283 1.290 20 30 CDEDLO Cc1nc(C[NH2+]C[C@H](C#N)CCC#N)ccc1[C@@H](C)O ZINC000843107993 693250428 /nfs/dbraw/zinc/25/04/28/693250428.db2.gz WPKLLFGQRZIPMN-OLZOCXBDSA-N 1 2 272.352 1.976 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2[nH]ccc2C)C1 ZINC001031643950 693250515 /nfs/dbraw/zinc/25/05/15/693250515.db2.gz IBZCVXCRXVSLMM-UHFFFAOYSA-N 1 2 267.760 1.737 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)cc1C ZINC001038981756 693335622 /nfs/dbraw/zinc/33/56/22/693335622.db2.gz HZHBMDJZCCQWSO-AWEZNQCLSA-N 1 2 256.349 1.741 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)cc1C ZINC001038981756 693335628 /nfs/dbraw/zinc/33/56/28/693335628.db2.gz HZHBMDJZCCQWSO-AWEZNQCLSA-N 1 2 256.349 1.741 20 30 CDEDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)C#CC2CC2)cn1 ZINC000846096083 694641306 /nfs/dbraw/zinc/64/13/06/694641306.db2.gz FFSQJNDHVKAHHE-UHFFFAOYSA-N 1 2 297.362 1.059 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cn(C)cn2)C1 ZINC001033794089 693357424 /nfs/dbraw/zinc/35/74/24/693357424.db2.gz FHBYZQYOARMPBF-GFCCVEGCSA-N 1 2 296.802 1.709 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cn(C)cn2)C1 ZINC001033794089 693357430 /nfs/dbraw/zinc/35/74/30/693357430.db2.gz FHBYZQYOARMPBF-GFCCVEGCSA-N 1 2 296.802 1.709 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(F)F)C2)s1 ZINC001009807588 694648665 /nfs/dbraw/zinc/64/86/65/694648665.db2.gz FRBVERILAXDGOD-QMMMGPOBSA-N 1 2 285.319 1.575 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(F)F)C2)s1 ZINC001009807588 694648666 /nfs/dbraw/zinc/64/86/66/694648666.db2.gz FRBVERILAXDGOD-QMMMGPOBSA-N 1 2 285.319 1.575 20 30 CDEDLO 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C=CCC(F)(F)C(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000816196161 694741539 /nfs/dbraw/zinc/74/15/39/694741539.db2.gz SOWZYRMVBBZMPQ-GHMZBOCLSA-N 1 2 276.327 1.111 20 30 CDEDLO NC(CCO)=[NH+]OCc1cc(-c2ccccc2)on1 ZINC000136065344 694741975 /nfs/dbraw/zinc/74/19/75/694741975.db2.gz CZUJCRIMIBTKHL-UHFFFAOYSA-N 1 2 261.281 1.513 20 30 CDEDLO N#Cc1cccc(NC(=O)/C=C/C[NH+]2CCOCC2)c1 ZINC000864439305 694759241 /nfs/dbraw/zinc/75/92/41/694759241.db2.gz PKZXCTAILYHCDQ-GORDUTHDSA-N 1 2 271.320 1.385 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cncc(C(F)(F)F)c1 ZINC001038880312 694800078 /nfs/dbraw/zinc/80/00/78/694800078.db2.gz WSUXABPRIPAAJU-LBPRGKRZSA-N 1 2 297.280 1.538 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cncc(C(F)(F)F)c1 ZINC001038880312 694800079 /nfs/dbraw/zinc/80/00/79/694800079.db2.gz WSUXABPRIPAAJU-LBPRGKRZSA-N 1 2 297.280 1.538 20 30 CDEDLO C#CCC(C)(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000185387300 694802839 /nfs/dbraw/zinc/80/28/39/694802839.db2.gz VJLSLMXFHBUKRO-UHFFFAOYSA-N 1 2 266.385 1.263 20 30 CDEDLO C#CCC(C)(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000185387300 694802841 /nfs/dbraw/zinc/80/28/41/694802841.db2.gz VJLSLMXFHBUKRO-UHFFFAOYSA-N 1 2 266.385 1.263 20 30 CDEDLO CN(C)c1ncc(C=[NH+]Nc2ccncc2Cl)n1C ZINC000811644235 694805077 /nfs/dbraw/zinc/80/50/77/694805077.db2.gz SVMBAOYHKAFYHC-UHFFFAOYSA-N 1 2 278.747 1.402 20 30 CDEDLO C#CCOc1cccc(NC(=O)NCCn2cc[nH+]c2)c1 ZINC000108520152 694807399 /nfs/dbraw/zinc/80/73/99/694807399.db2.gz ZBSXNQBORMLYSB-UHFFFAOYSA-N 1 2 284.319 1.717 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cncn2C)C1 ZINC001033595088 694808721 /nfs/dbraw/zinc/80/87/21/694808721.db2.gz QPJRZCQROQMFNI-GFCCVEGCSA-N 1 2 296.802 1.248 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cncn2C)C1 ZINC001033595088 694808722 /nfs/dbraw/zinc/80/87/22/694808722.db2.gz QPJRZCQROQMFNI-GFCCVEGCSA-N 1 2 296.802 1.248 20 30 CDEDLO Cc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccc(OCC#N)cc1)C2 ZINC000931318269 694819539 /nfs/dbraw/zinc/81/95/39/694819539.db2.gz 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/nfs/dbraw/zinc/79/17/53/694791753.db2.gz ZICFZIAHMDLTJU-CQSZACIVSA-N 1 2 294.358 1.514 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1-c1ccccc1 ZINC001038573527 694791754 /nfs/dbraw/zinc/79/17/54/694791754.db2.gz ZICFZIAHMDLTJU-CQSZACIVSA-N 1 2 294.358 1.514 20 30 CDEDLO Cc1[nH+]cc(C=NNCC(F)(F)C(F)(F)F)n1C ZINC000863182527 694802061 /nfs/dbraw/zinc/80/20/61/694802061.db2.gz PHPPRNIJXCESHK-UHFFFAOYSA-N 1 2 270.205 1.850 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(CC)cn1 ZINC001032638765 694801897 /nfs/dbraw/zinc/80/18/97/694801897.db2.gz PWTOMQUFBQCELD-HOTGVXAUSA-N 1 2 283.375 1.105 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(CC)cn1 ZINC001032638765 694801899 /nfs/dbraw/zinc/80/18/99/694801899.db2.gz PWTOMQUFBQCELD-HOTGVXAUSA-N 1 2 283.375 1.105 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001042627680 694812656 /nfs/dbraw/zinc/81/26/56/694812656.db2.gz VUBAVDSFBNDDCC-UHFFFAOYSA-N 1 2 258.325 1.219 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cocc2C)C1 ZINC001035473111 694814045 /nfs/dbraw/zinc/81/40/45/694814045.db2.gz ABJCXFGHPXDHEZ-ZDUSSCGKSA-N 1 2 276.336 1.042 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cocc2C)C1 ZINC001035473111 694814047 /nfs/dbraw/zinc/81/40/47/694814047.db2.gz ABJCXFGHPXDHEZ-ZDUSSCGKSA-N 1 2 276.336 1.042 20 30 CDEDLO Cc1conc1C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)C#N ZINC000960503168 694826826 /nfs/dbraw/zinc/82/68/26/694826826.db2.gz PMLYXKUUQNGIFR-AAEUAGOBSA-N 1 2 290.367 1.566 20 30 CDEDLO Cc1conc1C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)C#N ZINC000960503168 694826828 /nfs/dbraw/zinc/82/68/28/694826828.db2.gz PMLYXKUUQNGIFR-AAEUAGOBSA-N 1 2 290.367 1.566 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nccs1 ZINC000960498252 694831861 /nfs/dbraw/zinc/83/18/61/694831861.db2.gz CNGSKPYMPQMYPF-VXGBXAGGSA-N 1 2 292.408 1.726 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nccs1 ZINC000960498252 694831863 /nfs/dbraw/zinc/83/18/63/694831863.db2.gz CNGSKPYMPQMYPF-VXGBXAGGSA-N 1 2 292.408 1.726 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2O)CC1 ZINC000127895720 694845280 /nfs/dbraw/zinc/84/52/80/694845280.db2.gz QZEUWDZALXMGDT-UHFFFAOYSA-N 1 2 292.766 1.827 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(Cl)c[nH]2)C1 ZINC001042474162 694851640 /nfs/dbraw/zinc/85/16/40/694851640.db2.gz SSUACXQXZHEZAT-UHFFFAOYSA-N 1 2 265.744 1.448 20 30 CDEDLO C#CCCCS(=O)(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000791421389 694859987 /nfs/dbraw/zinc/85/99/87/694859987.db2.gz KKIXWMCAQYWCJF-UHFFFAOYSA-N 1 2 296.392 1.540 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2CC(OC)C2)C1 ZINC001033173019 694866351 /nfs/dbraw/zinc/86/63/51/694866351.db2.gz YCUJMERZTKKDEY-OTTFEQOBSA-N 1 2 286.803 1.697 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CC(OC)C2)C1 ZINC001033173019 694866352 /nfs/dbraw/zinc/86/63/52/694866352.db2.gz YCUJMERZTKKDEY-OTTFEQOBSA-N 1 2 286.803 1.697 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccncc2Cl)C1 ZINC001043963500 694868078 /nfs/dbraw/zinc/86/80/78/694868078.db2.gz NCQYCXVZXUDHHV-UHFFFAOYSA-N 1 2 277.755 1.515 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc2c1OCO2 ZINC000819468888 694868828 /nfs/dbraw/zinc/86/88/28/694868828.db2.gz UPWRNZZTQOYWHL-LLVKDONJSA-N 1 2 277.324 1.034 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc2c1OCO2 ZINC000819468888 694868830 /nfs/dbraw/zinc/86/88/30/694868830.db2.gz UPWRNZZTQOYWHL-LLVKDONJSA-N 1 2 277.324 1.034 20 30 CDEDLO CC(C)C[C@@H](C(=O)N1CCO[C@@](C)(C#N)C1)n1cc[nH+]c1 ZINC000887690311 694872143 /nfs/dbraw/zinc/87/21/43/694872143.db2.gz JXMJYMBOPUKEAI-ZFWWWQNUSA-N 1 2 290.367 1.611 20 30 CDEDLO C=C(C)CN1CC(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001030346510 694877037 /nfs/dbraw/zinc/87/70/37/694877037.db2.gz AYJITYXHTAVOGU-UHFFFAOYSA-N 1 2 288.395 1.138 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000819633501 694884356 /nfs/dbraw/zinc/88/43/56/694884356.db2.gz JSVAPQNOFAUGMK-WDEREUQCSA-N 1 2 254.293 1.756 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CO[C@H](C)C3)cc2C1 ZINC001054271404 694886717 /nfs/dbraw/zinc/88/67/17/694886717.db2.gz NLYQWNNRAVIHSP-CXAGYDPISA-N 1 2 298.386 1.677 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CO[C@H](C)C3)cc2C1 ZINC001054271404 694886720 /nfs/dbraw/zinc/88/67/20/694886720.db2.gz NLYQWNNRAVIHSP-CXAGYDPISA-N 1 2 298.386 1.677 20 30 CDEDLO N#CCCCS(=O)(=O)Oc1cccc(-n2cc[nH+]c2)c1 ZINC000159008860 694892446 /nfs/dbraw/zinc/89/24/46/694892446.db2.gz GIPLVLDLOASGJS-UHFFFAOYSA-N 1 2 291.332 1.885 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001054033972 694894319 /nfs/dbraw/zinc/89/43/19/694894319.db2.gz FBSVQEZLYMQSQM-MRXNPFEDSA-N 1 2 294.358 1.200 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001054033972 694894322 /nfs/dbraw/zinc/89/43/22/694894322.db2.gz FBSVQEZLYMQSQM-MRXNPFEDSA-N 1 2 294.358 1.200 20 30 CDEDLO NC(Cc1cccnc1)=[NH+]OCc1noc2c1CCCC2 ZINC000089506504 694897072 /nfs/dbraw/zinc/89/70/72/694897072.db2.gz FVKLBVAZQBUQGR-UHFFFAOYSA-N 1 2 286.335 1.980 20 30 CDEDLO CCN(CCO)N=C1CC[N@H+](Cc2ccccc2)C1 ZINC000842534609 695044597 /nfs/dbraw/zinc/04/45/97/695044597.db2.gz TZWYHCMAQYPZRF-UHFFFAOYSA-N 1 2 261.369 1.563 20 30 CDEDLO CCN(CCO)N=C1CC[N@@H+](Cc2ccccc2)C1 ZINC000842534609 695044599 /nfs/dbraw/zinc/04/45/99/695044599.db2.gz TZWYHCMAQYPZRF-UHFFFAOYSA-N 1 2 261.369 1.563 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccco2)on1 ZINC001038559958 695048490 /nfs/dbraw/zinc/04/84/90/695048490.db2.gz MIWCZIBAEBMCBM-NSHDSACASA-N 1 2 287.319 1.925 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccco2)on1 ZINC001038559958 695048493 /nfs/dbraw/zinc/04/84/93/695048493.db2.gz MIWCZIBAEBMCBM-NSHDSACASA-N 1 2 287.319 1.925 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)[nH]c1C ZINC001018000264 695051697 /nfs/dbraw/zinc/05/16/97/695051697.db2.gz JOUXTXYBJWCZGZ-GASCZTMLSA-N 1 2 285.391 1.944 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)[nH]c1C ZINC001018000264 695051699 /nfs/dbraw/zinc/05/16/99/695051699.db2.gz JOUXTXYBJWCZGZ-GASCZTMLSA-N 1 2 285.391 1.944 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC(C)C)c1 ZINC001032700795 695113421 /nfs/dbraw/zinc/11/34/21/695113421.db2.gz CJUSPRYYUHBIDQ-GJZGRUSLSA-N 1 2 286.379 1.071 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC(C)C)c1 ZINC001032700795 695113422 /nfs/dbraw/zinc/11/34/22/695113422.db2.gz CJUSPRYYUHBIDQ-GJZGRUSLSA-N 1 2 286.379 1.071 20 30 CDEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3OCC[N@@H+](CC)[C@H]3C2)C1 ZINC001074334048 695139740 /nfs/dbraw/zinc/13/97/40/695139740.db2.gz LTGKWWOFCDOGMB-KBPBESRZSA-N 1 2 278.396 1.664 20 30 CDEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3OCC[N@H+](CC)[C@H]3C2)C1 ZINC001074334048 695139756 /nfs/dbraw/zinc/13/97/56/695139756.db2.gz LTGKWWOFCDOGMB-KBPBESRZSA-N 1 2 278.396 1.664 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2nccs2)C1 ZINC000971217445 695145100 /nfs/dbraw/zinc/14/51/00/695145100.db2.gz FBISOMJFRYDMPN-WDEREUQCSA-N 1 2 278.381 1.335 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)Cc2nccs2)C1 ZINC000971217445 695145105 /nfs/dbraw/zinc/14/51/05/695145105.db2.gz FBISOMJFRYDMPN-WDEREUQCSA-N 1 2 278.381 1.335 20 30 CDEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(F)F)CC[C@@H]1C ZINC001131738000 1163022756 /nfs/dbraw/zinc/02/27/56/1163022756.db2.gz CZDOHWCMBFIZJA-RYUDHWBXSA-N 1 2 288.338 1.261 20 30 CDEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C(C)(F)F)CC[C@@H]1C ZINC001131738000 1163022762 /nfs/dbraw/zinc/02/27/62/1163022762.db2.gz CZDOHWCMBFIZJA-RYUDHWBXSA-N 1 2 288.338 1.261 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C[C@H]2CC=CCC2)C1 ZINC001753650867 1159870160 /nfs/dbraw/zinc/87/01/60/1159870160.db2.gz BJAUHCQINUKWTH-GJZGRUSLSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C[C@H]2CC=CCC2)C1 ZINC001753650867 1159870170 /nfs/dbraw/zinc/87/01/70/1159870170.db2.gz BJAUHCQINUKWTH-GJZGRUSLSA-N 1 2 278.396 1.736 20 30 CDEDLO C=C1CC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cn[nH]c2)C1 ZINC001270589999 1160114253 /nfs/dbraw/zinc/11/42/53/1160114253.db2.gz FTTFETQYBCUSGE-GASCZTMLSA-N 1 2 286.379 1.551 20 30 CDEDLO C=C1CC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cn[nH]c2)C1 ZINC001270589999 1160114255 /nfs/dbraw/zinc/11/42/55/1160114255.db2.gz FTTFETQYBCUSGE-GASCZTMLSA-N 1 2 286.379 1.551 20 30 CDEDLO C=C(C)CC[NH+]1CC(NC(=O)c2ncccc2O)C1 ZINC001030241279 1160996632 /nfs/dbraw/zinc/99/66/32/1160996632.db2.gz CEAYIIYNKZQCJS-UHFFFAOYSA-N 1 2 261.325 1.167 20 30 CDEDLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)Nc1ncccc1C#N ZINC001113082210 1162094450 /nfs/dbraw/zinc/09/44/50/1162094450.db2.gz OSEHWGUFRMFNGW-VXGBXAGGSA-N 1 2 298.350 1.155 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nc(CCCC)no1 ZINC001132404284 1163270931 /nfs/dbraw/zinc/27/09/31/1163270931.db2.gz YZVOJILXTUGVKJ-UHFFFAOYSA-N 1 2 294.399 1.830 20 30 CDEDLO C#Cc1ccc(C(=O)NCc2c[nH+]cn2CCOC)cc1 ZINC001188739973 1164369847 /nfs/dbraw/zinc/36/98/47/1164369847.db2.gz RLMXGXNODYNVLY-UHFFFAOYSA-N 1 2 283.331 1.441 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C(C)(F)F)C1 ZINC001149048207 1164543383 /nfs/dbraw/zinc/54/33/83/1164543383.db2.gz ZMRFQCOGZOVBLI-JTQLQIEISA-N 1 2 296.745 1.601 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C(C)(F)F)C1 ZINC001149048207 1164543390 /nfs/dbraw/zinc/54/33/90/1164543390.db2.gz ZMRFQCOGZOVBLI-JTQLQIEISA-N 1 2 296.745 1.601 20 30 CDEDLO N#Cc1ccc(CNC(=O)c2cc3c[nH+]ccc3[nH]2)nc1 ZINC001629186299 1166121569 /nfs/dbraw/zinc/12/15/69/1166121569.db2.gz WBILAUCAGOTNGJ-UHFFFAOYSA-N 1 2 277.287 1.760 20 30 CDEDLO N#Cc1ncn(-c2ccccc2NC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001629245860 1166124198 /nfs/dbraw/zinc/12/41/98/1166124198.db2.gz RXIPMVBXOUYDAQ-UHFFFAOYSA-N 1 2 293.290 1.043 20 30 CDEDLO Cc1nc(N2CC[C@@H](NC(=O)C#CC3CC3)C2)c(C)c(C)[nH+]1 ZINC001096364297 1166957472 /nfs/dbraw/zinc/95/74/72/1166957472.db2.gz HDPLLLWWEJPUJE-OAHLLOKOSA-N 1 2 298.390 1.510 20 30 CDEDLO C=CC(C)(C)C(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001228622130 1167384052 /nfs/dbraw/zinc/38/40/52/1167384052.db2.gz NRPZFAQUJYVDNK-UHFFFAOYSA-N 1 2 288.395 1.769 20 30 CDEDLO C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCC[N@@H+]2C)n1C ZINC001646686020 1168043096 /nfs/dbraw/zinc/04/30/96/1168043096.db2.gz NNTLHCQIBJPRCG-NWDGAFQWSA-N 1 2 276.388 1.568 20 30 CDEDLO C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCC[N@H+]2C)n1C ZINC001646686020 1168043100 /nfs/dbraw/zinc/04/31/00/1168043100.db2.gz NNTLHCQIBJPRCG-NWDGAFQWSA-N 1 2 276.388 1.568 20 30 CDEDLO C=C1C[NH+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC001588462495 1173065127 /nfs/dbraw/zinc/06/51/27/1173065127.db2.gz JDTVLWIAIFCDDZ-UHFFFAOYSA-N 1 2 284.323 1.067 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC001589788500 1173181241 /nfs/dbraw/zinc/18/12/41/1173181241.db2.gz ZRTNQHAYRHPPSV-UWVGGRQHSA-N 1 2 299.338 1.085 20 30 CDEDLO C[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)s1 ZINC000230338590 1178148471 /nfs/dbraw/zinc/14/84/71/1178148471.db2.gz SVPOUVXVAAHOBP-SNVBAGLBSA-N 1 2 299.421 1.382 20 30 CDEDLO C[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)s1 ZINC000230338590 1178148474 /nfs/dbraw/zinc/14/84/74/1178148474.db2.gz SVPOUVXVAAHOBP-SNVBAGLBSA-N 1 2 299.421 1.382 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2cccc(F)c2C#N)C1 ZINC000155621223 1178163934 /nfs/dbraw/zinc/16/39/34/1178163934.db2.gz DSYYSNIVUFRYJM-JTQLQIEISA-N 1 2 250.273 1.407 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2cccc(F)c2C#N)C1 ZINC000155621223 1178163940 /nfs/dbraw/zinc/16/39/40/1178163940.db2.gz DSYYSNIVUFRYJM-JTQLQIEISA-N 1 2 250.273 1.407 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CCCOC1 ZINC001713447625 1178561963 /nfs/dbraw/zinc/56/19/63/1178561963.db2.gz BCKJPPUIYMWTPF-LLVKDONJSA-N 1 2 260.765 1.214 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CCCOC1 ZINC001713447625 1178561966 /nfs/dbraw/zinc/56/19/66/1178561966.db2.gz BCKJPPUIYMWTPF-LLVKDONJSA-N 1 2 260.765 1.214 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1conc1C ZINC001713465016 1178581829 /nfs/dbraw/zinc/58/18/29/1178581829.db2.gz BDEBMMMUWQJJDG-UHFFFAOYSA-N 1 2 257.721 1.397 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1conc1C ZINC001713465016 1178581833 /nfs/dbraw/zinc/58/18/33/1178581833.db2.gz BDEBMMMUWQJJDG-UHFFFAOYSA-N 1 2 257.721 1.397 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCCCOCC ZINC001753427886 1185199158 /nfs/dbraw/zinc/19/91/58/1185199158.db2.gz XEYQWAOCSPGGGC-GJZGRUSLSA-N 1 2 278.396 1.502 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCCCOCC ZINC001753427886 1185199161 /nfs/dbraw/zinc/19/91/61/1185199161.db2.gz XEYQWAOCSPGGGC-GJZGRUSLSA-N 1 2 278.396 1.502 20 30 CDEDLO C=CC(C)(C)CC(=O)NC[C@@H](CC)[NH2+]Cc1nnc(C)o1 ZINC001753475070 1185226736 /nfs/dbraw/zinc/22/67/36/1185226736.db2.gz JEYNDZGCFZPJIE-GFCCVEGCSA-N 1 2 294.399 1.965 20 30 CDEDLO C#Cc1ccc(C(=O)N(C)CC[N@H+](C)CC(=C)Cl)nc1 ZINC001753867205 1185370472 /nfs/dbraw/zinc/37/04/72/1185370472.db2.gz IJJVGIRGIJSKTF-UHFFFAOYSA-N 1 2 291.782 1.819 20 30 CDEDLO C#Cc1ccc(C(=O)N(C)CC[N@@H+](C)CC(=C)Cl)nc1 ZINC001753867205 1185370477 /nfs/dbraw/zinc/37/04/77/1185370477.db2.gz IJJVGIRGIJSKTF-UHFFFAOYSA-N 1 2 291.782 1.819 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)C[NH2+]Cc1nc(C)no1 ZINC001754237813 1185523786 /nfs/dbraw/zinc/52/37/86/1185523786.db2.gz UXCOJIXLVAHCOH-SNVBAGLBSA-N 1 2 280.372 1.575 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cnccn1 ZINC001754300290 1185561059 /nfs/dbraw/zinc/56/10/59/1185561059.db2.gz SESANCOILJSCHP-JTQLQIEISA-N 1 2 268.748 1.279 20 30 CDEDLO C#CC[NH2+]C1(CNC(=O)c2cccc3nc(C)[nH]c32)CC1 ZINC001754531051 1185660762 /nfs/dbraw/zinc/66/07/62/1185660762.db2.gz NNIPCTQEAYYHAF-UHFFFAOYSA-N 1 2 282.347 1.357 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@H]2CC=CCC2)C1 ZINC001754568638 1185668859 /nfs/dbraw/zinc/66/88/59/1185668859.db2.gz DCLGYUWRSOCUQB-AWEZNQCLSA-N 1 2 278.396 1.688 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H]2OC)C1 ZINC001754577343 1185672764 /nfs/dbraw/zinc/67/27/64/1185672764.db2.gz RIOOKZPEWNQARR-GJZGRUSLSA-N 1 2 296.411 1.147 20 30 CDEDLO C=C(C)CCC(=O)NC[C@@H]1COCC[N@H+]1C[C@H](C)OC ZINC001754967113 1185773475 /nfs/dbraw/zinc/77/34/75/1185773475.db2.gz AYRSMHJUQMGJBD-UONOGXRCSA-N 1 2 284.400 1.195 20 30 CDEDLO C=C(C)CCC(=O)NC[C@@H]1COCC[N@@H+]1C[C@H](C)OC ZINC001754967113 1185773477 /nfs/dbraw/zinc/77/34/77/1185773477.db2.gz AYRSMHJUQMGJBD-UONOGXRCSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC2(C[NH+](CCOC)C2)O1 ZINC001755055257 1185801783 /nfs/dbraw/zinc/80/17/83/1185801783.db2.gz FEVYSDPTFFGNFB-CYBMUJFWSA-N 1 2 296.411 1.195 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC(C)=C(C)C)C2)C1 ZINC001755401030 1185940771 /nfs/dbraw/zinc/94/07/71/1185940771.db2.gz DJAFFRBNGASEHZ-KRWDZBQOSA-N 1 2 290.407 1.669 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC(C)=C(C)C)C2)C1 ZINC001755401030 1185940776 /nfs/dbraw/zinc/94/07/76/1185940776.db2.gz DJAFFRBNGASEHZ-KRWDZBQOSA-N 1 2 290.407 1.669 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C2CC2)CC1 ZINC001032464876 723102273 /nfs/dbraw/zinc/10/22/73/723102273.db2.gz GUFCDQAJTDAFBT-KBPBESRZSA-N 1 2 258.365 1.485 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C2CC2)CC1 ZINC001032464876 723102275 /nfs/dbraw/zinc/10/22/75/723102275.db2.gz GUFCDQAJTDAFBT-KBPBESRZSA-N 1 2 258.365 1.485 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nccc(C)n1 ZINC000823712401 723105206 /nfs/dbraw/zinc/10/52/06/723105206.db2.gz YGOZRNDBLIZQDV-OLZOCXBDSA-N 1 2 272.352 1.060 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nccc(C)n1 ZINC000823712401 723105209 /nfs/dbraw/zinc/10/52/09/723105209.db2.gz YGOZRNDBLIZQDV-OLZOCXBDSA-N 1 2 272.352 1.060 20 30 CDEDLO C#Cc1cccc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000837107144 723126294 /nfs/dbraw/zinc/12/62/94/723126294.db2.gz YHXIREFFACPIBQ-HNNXBMFYSA-N 1 2 279.343 1.743 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc[nH]2)C1 ZINC001006740298 723126851 /nfs/dbraw/zinc/12/68/51/723126851.db2.gz CUGXOYRXDCPHDP-LLVKDONJSA-N 1 2 267.760 1.961 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc[nH]2)C1 ZINC001006740298 723126859 /nfs/dbraw/zinc/12/68/59/723126859.db2.gz CUGXOYRXDCPHDP-LLVKDONJSA-N 1 2 267.760 1.961 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(C2CC2)o1 ZINC001038357023 723188082 /nfs/dbraw/zinc/18/80/82/723188082.db2.gz MFRXVRPEQRRRAM-NSHDSACASA-N 1 2 261.325 1.542 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(C2CC2)o1 ZINC001038357023 723188087 /nfs/dbraw/zinc/18/80/87/723188087.db2.gz MFRXVRPEQRRRAM-NSHDSACASA-N 1 2 261.325 1.542 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccnnc2)C1 ZINC001033963809 723201641 /nfs/dbraw/zinc/20/16/41/723201641.db2.gz DOYFQBRTUVOLBM-ZDUSSCGKSA-N 1 2 294.786 1.766 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccnnc2)C1 ZINC001033963809 723201643 /nfs/dbraw/zinc/20/16/43/723201643.db2.gz DOYFQBRTUVOLBM-ZDUSSCGKSA-N 1 2 294.786 1.766 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H]2CC[C@H](C)O2)C1 ZINC001043747729 723226608 /nfs/dbraw/zinc/22/66/08/723226608.db2.gz QWKHCFAJAVFUEN-GXTWGEPZSA-N 1 2 266.385 1.663 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn3c2ccc(C)c3C)C1 ZINC001030469049 723227347 /nfs/dbraw/zinc/22/73/47/723227347.db2.gz UUBBRIFCOXGTPG-UHFFFAOYSA-N 1 2 298.390 1.941 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2ncccc2c1 ZINC001038667457 723285827 /nfs/dbraw/zinc/28/58/27/723285827.db2.gz SHQIWPHEBPUZHQ-HNNXBMFYSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2ncccc2c1 ZINC001038667457 723285831 /nfs/dbraw/zinc/28/58/31/723285831.db2.gz SHQIWPHEBPUZHQ-HNNXBMFYSA-N 1 2 279.343 1.672 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000884048413 723341756 /nfs/dbraw/zinc/34/17/56/723341756.db2.gz KEVVFEZILCLMAS-SDDRHHMPSA-N 1 2 268.357 1.128 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]ccc1C ZINC001032384776 723305929 /nfs/dbraw/zinc/30/59/29/723305929.db2.gz ZYIMSKBNTRMHIR-STQMWFEESA-N 1 2 257.337 1.245 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]ccc1C ZINC001032384776 723305932 /nfs/dbraw/zinc/30/59/32/723305932.db2.gz ZYIMSKBNTRMHIR-STQMWFEESA-N 1 2 257.337 1.245 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC001010365501 723342144 /nfs/dbraw/zinc/34/21/44/723342144.db2.gz VVUXWGWBPUMAAP-LLVKDONJSA-N 1 2 263.366 1.279 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC001010365501 723342152 /nfs/dbraw/zinc/34/21/52/723342152.db2.gz VVUXWGWBPUMAAP-LLVKDONJSA-N 1 2 263.366 1.279 20 30 CDEDLO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001017662848 723360108 /nfs/dbraw/zinc/36/01/08/723360108.db2.gz OCDHJFWTISGHJJ-BETUJISGSA-N 1 2 295.346 1.375 20 30 CDEDLO C#CCC[C@@H](O)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848035166 723492932 /nfs/dbraw/zinc/49/29/32/723492932.db2.gz NVVOPSJSVLZOAU-CYBMUJFWSA-N 1 2 271.320 1.147 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1occc1CC ZINC001051100140 723496015 /nfs/dbraw/zinc/49/60/15/723496015.db2.gz PRUAVVGSZSQUEZ-AWEZNQCLSA-N 1 2 292.379 1.849 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1occc1CC ZINC001051100140 723496021 /nfs/dbraw/zinc/49/60/21/723496021.db2.gz PRUAVVGSZSQUEZ-AWEZNQCLSA-N 1 2 292.379 1.849 20 30 CDEDLO Cc1cc(C)c(C(=O)N[C@H]2CCCN(CC#N)C2)c(C)[nH+]1 ZINC001008006677 723553185 /nfs/dbraw/zinc/55/31/85/723553185.db2.gz HHXVEDHQCQZMIV-AWEZNQCLSA-N 1 2 286.379 1.725 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2cocn2)C1 ZINC001010373314 723581150 /nfs/dbraw/zinc/58/11/50/723581150.db2.gz KGVNPZALMGQOJY-CQSZACIVSA-N 1 2 296.330 1.551 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2cocn2)C1 ZINC001010373314 723581162 /nfs/dbraw/zinc/58/11/62/723581162.db2.gz KGVNPZALMGQOJY-CQSZACIVSA-N 1 2 296.330 1.551 20 30 CDEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)CC)C2)CC1 ZINC001051985341 723582634 /nfs/dbraw/zinc/58/26/34/723582634.db2.gz WOPUVSHLZQOOTP-CVEARBPZSA-N 1 2 293.455 1.827 20 30 CDEDLO O=C(/C=C/C[NH+]1CCOCC1)NCC#Cc1ccccc1 ZINC000864671733 723583248 /nfs/dbraw/zinc/58/32/48/723583248.db2.gz SHCWDQNTDIVVKX-WEVVVXLNSA-N 1 2 284.359 1.043 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001030338912 723606352 /nfs/dbraw/zinc/60/63/52/723606352.db2.gz XYUUGRNJYZYLDU-GXTWGEPZSA-N 1 2 262.397 1.882 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CC2CCCCC2)C1 ZINC000885511333 723615912 /nfs/dbraw/zinc/61/59/12/723615912.db2.gz FYTWTLSMMYPXKX-HNNXBMFYSA-N 1 2 298.452 1.584 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CC2CCCCC2)C1 ZINC000885511333 723615914 /nfs/dbraw/zinc/61/59/14/723615914.db2.gz FYTWTLSMMYPXKX-HNNXBMFYSA-N 1 2 298.452 1.584 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001030307377 723624095 /nfs/dbraw/zinc/62/40/95/723624095.db2.gz RTTNJXSEQKNMDR-ZDUSSCGKSA-N 1 2 260.381 1.781 20 30 CDEDLO C#CCC[C@H](O)CNC(=O)Nc1cc(C)[nH+]cc1C ZINC000799223599 723626352 /nfs/dbraw/zinc/62/63/52/723626352.db2.gz IEKMANQOUIZKEP-LBPRGKRZSA-N 1 2 261.325 1.016 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H]2C(F)F)C1 ZINC001042916899 723626949 /nfs/dbraw/zinc/62/69/49/723626949.db2.gz XPPJZMSJIBAXLO-RYUDHWBXSA-N 1 2 272.339 1.996 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccncc2C)CC1 ZINC000859325230 723648958 /nfs/dbraw/zinc/64/89/58/723648958.db2.gz SSKAOHTWOFXBIO-UHFFFAOYSA-N 1 2 273.336 1.669 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnoc1C1CC1 ZINC001038874828 723658768 /nfs/dbraw/zinc/65/87/68/723658768.db2.gz CNGGJFRTIIISRE-LBPRGKRZSA-N 1 2 273.336 1.379 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnoc1C1CC1 ZINC001038874828 723658775 /nfs/dbraw/zinc/65/87/75/723658775.db2.gz CNGGJFRTIIISRE-LBPRGKRZSA-N 1 2 273.336 1.379 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001031447319 723687735 /nfs/dbraw/zinc/68/77/35/723687735.db2.gz VONIYCHYJMJWRL-SSDMNJCBSA-N 1 2 260.381 1.636 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)cn1C ZINC001038481326 723211390 /nfs/dbraw/zinc/21/13/90/723211390.db2.gz ONXCVXHWPWKOJW-LLVKDONJSA-N 1 2 265.744 1.116 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)cn1C ZINC001038481326 723211397 /nfs/dbraw/zinc/21/13/97/723211397.db2.gz ONXCVXHWPWKOJW-LLVKDONJSA-N 1 2 265.744 1.116 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CC[C@H](C)[C@H]2C)c1=S ZINC000174962612 723276928 /nfs/dbraw/zinc/27/69/28/723276928.db2.gz VQDHMOVRHADKJQ-VHSXEESVSA-N 1 2 253.375 1.683 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CC[C@H](C)[C@H]2C)c1=S ZINC000174962612 723276933 /nfs/dbraw/zinc/27/69/33/723276933.db2.gz VQDHMOVRHADKJQ-VHSXEESVSA-N 1 2 253.375 1.683 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cc[nH]n2)[C@H]1C ZINC000993144012 723349499 /nfs/dbraw/zinc/34/94/99/723349499.db2.gz ILRGBLXJPCECMG-YPMHNXCESA-N 1 2 296.802 1.674 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cc[nH]n2)[C@H]1C ZINC000993144012 723349502 /nfs/dbraw/zinc/34/95/02/723349502.db2.gz ILRGBLXJPCECMG-YPMHNXCESA-N 1 2 296.802 1.674 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC2(CCC2)C1 ZINC001017823379 723360535 /nfs/dbraw/zinc/36/05/35/723360535.db2.gz XXNHJXAOLMUQBR-GASCZTMLSA-N 1 2 272.392 1.875 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC2(CCC2)C1 ZINC001017823379 723360538 /nfs/dbraw/zinc/36/05/38/723360538.db2.gz XXNHJXAOLMUQBR-GASCZTMLSA-N 1 2 272.392 1.875 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2c[nH]c(=O)c3ccccc23)C1 ZINC001044008865 723380587 /nfs/dbraw/zinc/38/05/87/723380587.db2.gz VRSMHEOYAVIRJB-UHFFFAOYSA-N 1 2 297.358 1.883 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2CCOCC2)C1 ZINC001032868979 723490937 /nfs/dbraw/zinc/49/09/37/723490937.db2.gz XFZDDTZCIYJHPK-CYBMUJFWSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CCOCC2)C1 ZINC001032868979 723490939 /nfs/dbraw/zinc/49/09/39/723490939.db2.gz XFZDDTZCIYJHPK-CYBMUJFWSA-N 1 2 286.803 1.698 20 30 CDEDLO Cc1nc(N[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)cc[nH+]1 ZINC001058875446 723506355 /nfs/dbraw/zinc/50/63/55/723506355.db2.gz RSAUJMYSQZOXDZ-LBPRGKRZSA-N 1 2 296.334 1.311 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C)co1)CO2 ZINC001053899022 723548339 /nfs/dbraw/zinc/54/83/39/723548339.db2.gz GMXYDZVVUNWPGJ-ZDUSSCGKSA-N 1 2 290.363 1.737 20 30 CDEDLO C=CC[N@@H+](C)CN1C(=O)[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000840050015 723635627 /nfs/dbraw/zinc/63/56/27/723635627.db2.gz WNSBTUOSMLOCQR-JSGCOSHPSA-N 1 2 250.342 1.232 20 30 CDEDLO C=CC[N@H+](C)CN1C(=O)[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000840050015 723635630 /nfs/dbraw/zinc/63/56/30/723635630.db2.gz WNSBTUOSMLOCQR-JSGCOSHPSA-N 1 2 250.342 1.232 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC1(C)C)O2 ZINC001053592301 723676710 /nfs/dbraw/zinc/67/67/10/723676710.db2.gz JUMSTWIRONUKBE-OLZOCXBDSA-N 1 2 278.396 1.568 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)O[C@@H](CC)C(C)=O)CC1 ZINC000873358242 1165545978 /nfs/dbraw/zinc/54/59/78/1165545978.db2.gz VKETVVFIERQKCK-ZDUSSCGKSA-N 1 2 251.326 1.242 20 30 CDEDLO C#CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C(=O)OC ZINC000877584324 1166063965 /nfs/dbraw/zinc/06/39/65/1166063965.db2.gz ZXMSJDAHCRWFBB-FQUUOJAGSA-N 1 2 277.364 1.489 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccon1 ZINC001089140219 912696317 /nfs/dbraw/zinc/69/63/17/912696317.db2.gz ZLGDOTOWDCMPHU-JSGCOSHPSA-N 1 2 290.367 1.647 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ccon1 ZINC001089140219 912696332 /nfs/dbraw/zinc/69/63/32/912696332.db2.gz ZLGDOTOWDCMPHU-JSGCOSHPSA-N 1 2 290.367 1.647 20 30 CDEDLO COC(=O)c1ccc(C[C@@H](C)N2CC[NH2+]C[C@@H]2C#N)cc1 ZINC001173720502 912749176 /nfs/dbraw/zinc/74/91/76/912749176.db2.gz VBSAVPXLUPDEQK-DOMZBBRYSA-N 1 2 287.363 1.202 20 30 CDEDLO N#Cc1ncc(Nc2ccc(N3CCOCC3)[nH+]c2)cn1 ZINC001174972697 913401618 /nfs/dbraw/zinc/40/16/18/913401618.db2.gz BGMQZUJOQOTIFA-UHFFFAOYSA-N 1 2 282.307 1.323 20 30 CDEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(C)[nH]n1 ZINC001272545424 913409431 /nfs/dbraw/zinc/40/94/31/913409431.db2.gz YLBBZEJJZSEPNA-ZIAGYGMSSA-N 1 2 274.368 1.469 20 30 CDEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(C)[nH]n1 ZINC001272545424 913409436 /nfs/dbraw/zinc/40/94/36/913409436.db2.gz YLBBZEJJZSEPNA-ZIAGYGMSSA-N 1 2 274.368 1.469 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnccn2)[C@@H]1C ZINC000992978709 913573502 /nfs/dbraw/zinc/57/35/02/913573502.db2.gz CQBBGDFKNNVFGA-NWDGAFQWSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnccn2)[C@@H]1C ZINC000992978709 913573516 /nfs/dbraw/zinc/57/35/16/913573516.db2.gz CQBBGDFKNNVFGA-NWDGAFQWSA-N 1 2 294.786 1.812 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)cn1 ZINC001140539941 896693788 /nfs/dbraw/zinc/69/37/88/896693788.db2.gz DOFWINCBJDCRRL-NSHDSACASA-N 1 2 267.279 1.403 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)cn1 ZINC001140539941 896693796 /nfs/dbraw/zinc/69/37/96/896693796.db2.gz DOFWINCBJDCRRL-NSHDSACASA-N 1 2 267.279 1.403 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N(C)[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001104684505 898884128 /nfs/dbraw/zinc/88/41/28/898884128.db2.gz ZJBYZACVWYQMHY-NEPJUHHUSA-N 1 2 290.367 1.082 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1oncc1C)C1CC1 ZINC001481191419 899093204 /nfs/dbraw/zinc/09/32/04/899093204.db2.gz FJKXEEDDNFUEIO-UHFFFAOYSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1oncc1C)C1CC1 ZINC001481191419 899093216 /nfs/dbraw/zinc/09/32/16/899093216.db2.gz FJKXEEDDNFUEIO-UHFFFAOYSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(CC)n[nH]1 ZINC001027759101 900792896 /nfs/dbraw/zinc/79/28/96/900792896.db2.gz IGKUTRXTDNBWQA-GFCCVEGCSA-N 1 2 296.802 1.919 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(CC)n[nH]1 ZINC001027759101 900792905 /nfs/dbraw/zinc/79/29/05/900792905.db2.gz IGKUTRXTDNBWQA-GFCCVEGCSA-N 1 2 296.802 1.919 20 30 CDEDLO Cc1nc(N[C@H]2CCN(C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001058889460 901347443 /nfs/dbraw/zinc/34/74/43/901347443.db2.gz RGZADWWMCOXQCG-ZDUSSCGKSA-N 1 2 270.336 1.211 20 30 CDEDLO CN(CC(=O)NCc1ccc(C#N)nc1)c1cccc[nH+]1 ZINC001177416458 914670806 /nfs/dbraw/zinc/67/08/06/914670806.db2.gz CXOFPGKTTPVFBQ-UHFFFAOYSA-N 1 2 281.319 1.101 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CC(C)(C)O ZINC001496698192 904993638 /nfs/dbraw/zinc/99/36/38/904993638.db2.gz FGRGMFJBSVKUSH-UHFFFAOYSA-N 1 2 262.781 1.290 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CC(C)(C)O ZINC001496698192 904993657 /nfs/dbraw/zinc/99/36/57/904993657.db2.gz FGRGMFJBSVKUSH-UHFFFAOYSA-N 1 2 262.781 1.290 20 30 CDEDLO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccnc1 ZINC001029301486 905366645 /nfs/dbraw/zinc/36/66/45/905366645.db2.gz RYBVSLCIZRLMKC-CALCHBBNSA-N 1 2 295.386 1.670 20 30 CDEDLO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccnc1 ZINC001029301486 905366659 /nfs/dbraw/zinc/36/66/59/905366659.db2.gz RYBVSLCIZRLMKC-CALCHBBNSA-N 1 2 295.386 1.670 20 30 CDEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128448720 921305455 /nfs/dbraw/zinc/30/54/55/921305455.db2.gz WAEQAZYKRIPEHH-CHWSQXEVSA-N 1 2 290.411 1.793 20 30 CDEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128448720 921305457 /nfs/dbraw/zinc/30/54/57/921305457.db2.gz WAEQAZYKRIPEHH-CHWSQXEVSA-N 1 2 290.411 1.793 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@H](C)OC ZINC001482584502 907413158 /nfs/dbraw/zinc/41/31/58/907413158.db2.gz NGSIWDGMVPVABW-NSHDSACASA-N 1 2 262.781 1.554 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@H](C)OC ZINC001482584502 907413164 /nfs/dbraw/zinc/41/31/64/907413164.db2.gz NGSIWDGMVPVABW-NSHDSACASA-N 1 2 262.781 1.554 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3C[C@H](NCC#N)C[C@@H]3C)ccn12 ZINC000988844156 908597753 /nfs/dbraw/zinc/59/77/53/908597753.db2.gz MVKLYGPPKYGBMK-SMDDNHRTSA-N 1 2 297.362 1.359 20 30 CDEDLO C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2cnn[nH]2)C1 ZINC000989460323 908894074 /nfs/dbraw/zinc/89/40/74/908894074.db2.gz APLUIPDOLCHYLF-JQWIXIFHSA-N 1 2 297.790 1.069 20 30 CDEDLO CC(C)C#CC(=O)NCC[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001126833854 909364958 /nfs/dbraw/zinc/36/49/58/909364958.db2.gz FRMZZIXKLIRNDD-UHFFFAOYSA-N 1 2 291.395 1.837 20 30 CDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cnc[nH]1 ZINC001273022998 921597174 /nfs/dbraw/zinc/59/71/74/921597174.db2.gz IMFOWGCYWAAXKV-ZIAGYGMSSA-N 1 2 274.368 1.551 20 30 CDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cnc[nH]1 ZINC001273022998 921597184 /nfs/dbraw/zinc/59/71/84/921597184.db2.gz IMFOWGCYWAAXKV-ZIAGYGMSSA-N 1 2 274.368 1.551 20 30 CDEDLO N#CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@@H]12 ZINC000991122605 910707791 /nfs/dbraw/zinc/70/77/91/910707791.db2.gz WHQOUVQEQQLFDR-NCZKRNLISA-N 1 2 299.378 1.150 20 30 CDEDLO N#CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@@H]12 ZINC000991122605 910707803 /nfs/dbraw/zinc/70/78/03/910707803.db2.gz WHQOUVQEQQLFDR-NCZKRNLISA-N 1 2 299.378 1.150 20 30 CDEDLO C#CCN1CC[C@@]2(CCN(c3cc[nH+]c(OC)c3)C2)C1=O ZINC001273585551 921600074 /nfs/dbraw/zinc/60/00/74/921600074.db2.gz QZKCVGXZSCBCGV-INIZCTEOSA-N 1 2 285.347 1.152 20 30 CDEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCN(CC)C(=O)C1 ZINC001172030446 911147834 /nfs/dbraw/zinc/14/78/34/911147834.db2.gz YHBIPSJHUBSDID-KGLIPLIRSA-N 1 2 296.411 1.731 20 30 CDEDLO C[C@@H](C#N)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC001172887873 912048346 /nfs/dbraw/zinc/04/83/46/912048346.db2.gz ULWLRPXQQQXMNN-NSHDSACASA-N 1 2 267.373 1.294 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001095017394 912194911 /nfs/dbraw/zinc/19/49/11/912194911.db2.gz RPZBDTIUCKFLAV-GFCCVEGCSA-N 1 2 260.341 1.764 20 30 CDEDLO C[C@H](C(=O)Nc1nc2ncccc2cc1C#N)n1cc[nH+]c1 ZINC001177921451 915030678 /nfs/dbraw/zinc/03/06/78/915030678.db2.gz FLULMJVXBKWVEV-SNVBAGLBSA-N 1 2 292.302 1.898 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1nccn1C ZINC001272678320 915084079 /nfs/dbraw/zinc/08/40/79/915084079.db2.gz LBHYZSULYVLCRO-MRXNPFEDSA-N 1 2 286.379 1.010 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1nccn1C ZINC001272678320 915084097 /nfs/dbraw/zinc/08/40/97/915084097.db2.gz LBHYZSULYVLCRO-MRXNPFEDSA-N 1 2 286.379 1.010 20 30 CDEDLO N#Cc1cccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)n1 ZINC001178100614 915169558 /nfs/dbraw/zinc/16/95/58/915169558.db2.gz ABEWCGAICZUIPW-JTQLQIEISA-N 1 2 267.292 1.351 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)[C@@H]1C ZINC001178324246 915372855 /nfs/dbraw/zinc/37/28/55/915372855.db2.gz LWSFFOYNFIFBNX-JQWIXIFHSA-N 1 2 278.356 1.423 20 30 CDEDLO C=CCCCC(=O)N1CC[C@H]([NH2+]Cc2csnn2)[C@@H]1C ZINC001179455121 915841813 /nfs/dbraw/zinc/84/18/13/915841813.db2.gz SNYUPWATAWPAHD-AAEUAGOBSA-N 1 2 294.424 1.973 20 30 CDEDLO C[C@@H](CC(=O)NCCCCCCNCC#N)n1cc[nH+]c1 ZINC001179706274 915944523 /nfs/dbraw/zinc/94/45/23/915944523.db2.gz ZBDOEZRTHLJSMZ-AWEZNQCLSA-N 1 2 291.399 1.624 20 30 CDEDLO CC#CC(=O)NCCSCc1csc(C[NH+](C)C)n1 ZINC001179755857 915975051 /nfs/dbraw/zinc/97/50/51/915975051.db2.gz AZBSAXIVEKULLP-UHFFFAOYSA-N 1 2 297.449 1.577 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([NH2+]Cc2nc(C(C)C)no2)C1 ZINC001181511880 917115679 /nfs/dbraw/zinc/11/56/79/917115679.db2.gz SMPMFLUNFCCRDX-GFCCVEGCSA-N 1 2 292.383 1.850 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001124488791 917401050 /nfs/dbraw/zinc/40/10/50/917401050.db2.gz UVPACMXQQXGHMJ-QWRGUYRKSA-N 1 2 296.371 1.126 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nc(C)no2)C1 ZINC001182220769 917729930 /nfs/dbraw/zinc/72/99/30/917729930.db2.gz QMFUFFYUBADNIW-WCQYABFASA-N 1 2 290.367 1.433 20 30 CDEDLO C#CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001182635308 917994123 /nfs/dbraw/zinc/99/41/23/917994123.db2.gz DMHGIJHACOVETI-GFCCVEGCSA-N 1 2 284.350 1.978 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c(F)c(F)cc(F)c2F)CC1 ZINC001138236477 936498328 /nfs/dbraw/zinc/49/83/28/936498328.db2.gz BUMMIQHDGVRUEL-UHFFFAOYSA-N 1 2 286.272 1.994 20 30 CDEDLO CC(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107663741 918564734 /nfs/dbraw/zinc/56/47/34/918564734.db2.gz BLBJVKMCMSCKEJ-INIZCTEOSA-N 1 2 287.363 1.285 20 30 CDEDLO CC(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107663741 918564748 /nfs/dbraw/zinc/56/47/48/918564748.db2.gz BLBJVKMCMSCKEJ-INIZCTEOSA-N 1 2 287.363 1.285 20 30 CDEDLO C#CCOc1ccc(CN2CCn3c[nH+]cc3C2)cc1OC ZINC001138349175 936523926 /nfs/dbraw/zinc/52/39/26/936523926.db2.gz ULMGPTAJIBACGJ-UHFFFAOYSA-N 1 2 297.358 1.920 20 30 CDEDLO Cc1noc(Nc2ccc[nH+]c2N2CCOCC2)c1C#N ZINC001212349527 918717786 /nfs/dbraw/zinc/71/77/86/918717786.db2.gz ALIRQXPMAYFEJQ-UHFFFAOYSA-N 1 2 285.307 1.830 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CC(C)(C)C)C1 ZINC001107743743 918721537 /nfs/dbraw/zinc/72/15/37/918721537.db2.gz XHWWRYHHSZDDHH-MRXNPFEDSA-N 1 2 280.412 1.653 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CC(C)(C)C)C1 ZINC001107743743 918721544 /nfs/dbraw/zinc/72/15/44/918721544.db2.gz XHWWRYHHSZDDHH-MRXNPFEDSA-N 1 2 280.412 1.653 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)OCC)C1 ZINC001107788690 918786135 /nfs/dbraw/zinc/78/61/35/918786135.db2.gz JWCIUYCRNGIGOC-GOEBONIOSA-N 1 2 296.411 1.032 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)OCC)C1 ZINC001107788690 918786145 /nfs/dbraw/zinc/78/61/45/918786145.db2.gz JWCIUYCRNGIGOC-GOEBONIOSA-N 1 2 296.411 1.032 20 30 CDEDLO C=C(CC(=O)OCCCC)C(=O)N(CC)C1C[NH+](C)C1 ZINC001184308275 919015055 /nfs/dbraw/zinc/01/50/55/919015055.db2.gz OPOUAIUJYITNSX-UHFFFAOYSA-N 1 2 282.384 1.439 20 30 CDEDLO C=CCc1cccc(C[N@H+]2CCN(C)C(=O)C2)c1O ZINC001138623473 936552451 /nfs/dbraw/zinc/55/24/51/936552451.db2.gz GCTGKPFVPKLNKZ-UHFFFAOYSA-N 1 2 260.337 1.395 20 30 CDEDLO C=CCc1cccc(C[N@@H+]2CCN(C)C(=O)C2)c1O ZINC001138623473 936552453 /nfs/dbraw/zinc/55/24/53/936552453.db2.gz GCTGKPFVPKLNKZ-UHFFFAOYSA-N 1 2 260.337 1.395 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)oc(C)c1C ZINC001032508093 919277796 /nfs/dbraw/zinc/27/77/96/919277796.db2.gz UCZVWOMZFOKATP-KBPBESRZSA-N 1 2 272.348 1.737 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)oc(C)c1C ZINC001032508093 919277807 /nfs/dbraw/zinc/27/78/07/919277807.db2.gz UCZVWOMZFOKATP-KBPBESRZSA-N 1 2 272.348 1.737 20 30 CDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ncccn1 ZINC001272794477 919302458 /nfs/dbraw/zinc/30/24/58/919302458.db2.gz UMFXKYZQYZTCDO-INIZCTEOSA-N 1 2 286.379 1.620 20 30 CDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ncccn1 ZINC001272794477 919302474 /nfs/dbraw/zinc/30/24/74/919302474.db2.gz UMFXKYZQYZTCDO-INIZCTEOSA-N 1 2 286.379 1.620 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCCC1(F)F ZINC001032540303 919362865 /nfs/dbraw/zinc/36/28/65/919362865.db2.gz ZAIDCIPOCTYALD-RWMBFGLXSA-N 1 2 282.334 1.730 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCCC1(F)F ZINC001032540303 919362874 /nfs/dbraw/zinc/36/28/74/919362874.db2.gz ZAIDCIPOCTYALD-RWMBFGLXSA-N 1 2 282.334 1.730 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C2CCC2)CCC1 ZINC001032543666 919366959 /nfs/dbraw/zinc/36/69/59/919366959.db2.gz JSJUCNNMEOZCKX-GJZGRUSLSA-N 1 2 272.392 1.875 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C2CCC2)CCC1 ZINC001032543666 919366976 /nfs/dbraw/zinc/36/69/76/919366976.db2.gz JSJUCNNMEOZCKX-GJZGRUSLSA-N 1 2 272.392 1.875 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(Br)o2)CC1 ZINC001138906011 936579142 /nfs/dbraw/zinc/57/91/42/936579142.db2.gz BOEUALNKMGBHKX-UHFFFAOYSA-N 1 2 283.169 1.793 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001185071293 919411248 /nfs/dbraw/zinc/41/12/48/919411248.db2.gz RTZLLLIZGFQQQQ-NWDGAFQWSA-N 1 2 294.424 1.831 20 30 CDEDLO Cc1nc(N[C@@H]2CCN(C(=O)C#CC3CC3)[C@H]2C)cc[nH+]1 ZINC001068840055 936630615 /nfs/dbraw/zinc/63/06/15/936630615.db2.gz YQTHUFWFTJVNJN-SMDDNHRTSA-N 1 2 284.363 1.600 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)OCC)[C@@H]2C1 ZINC001186959700 920266047 /nfs/dbraw/zinc/26/60/47/920266047.db2.gz UGGVACOQZYQBJV-RWMBFGLXSA-N 1 2 286.803 1.697 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)OCC)[C@@H]2C1 ZINC001186959700 920266065 /nfs/dbraw/zinc/26/60/65/920266065.db2.gz UGGVACOQZYQBJV-RWMBFGLXSA-N 1 2 286.803 1.697 20 30 CDEDLO N#Cc1cccc(C(=O)NCCOc2cc[nH+]cc2)c1F ZINC001190554589 922063686 /nfs/dbraw/zinc/06/36/86/922063686.db2.gz IFDMACYNDXJERK-UHFFFAOYSA-N 1 2 285.278 1.901 20 30 CDEDLO CCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001190685133 922136308 /nfs/dbraw/zinc/13/63/08/922136308.db2.gz SSCZCXMLLDUGQP-CHWSQXEVSA-N 1 2 293.392 1.081 20 30 CDEDLO CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001190685133 922136315 /nfs/dbraw/zinc/13/63/15/922136315.db2.gz SSCZCXMLLDUGQP-CHWSQXEVSA-N 1 2 293.392 1.081 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C=C3CCC3)C[C@H]21 ZINC001074208041 936735152 /nfs/dbraw/zinc/73/51/52/936735152.db2.gz AUBVJMXDPWNYLT-HZPDHXFCSA-N 1 2 290.407 1.975 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C=C3CCC3)C[C@H]21 ZINC001074208041 936735153 /nfs/dbraw/zinc/73/51/53/936735153.db2.gz AUBVJMXDPWNYLT-HZPDHXFCSA-N 1 2 290.407 1.975 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3(C)CC3)C[C@H]21 ZINC001074251790 936735513 /nfs/dbraw/zinc/73/55/13/936735513.db2.gz CKIJNBUYKIOYJF-ZIAGYGMSSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(C)CC3)C[C@H]21 ZINC001074251790 936735514 /nfs/dbraw/zinc/73/55/14/936735514.db2.gz CKIJNBUYKIOYJF-ZIAGYGMSSA-N 1 2 276.380 1.112 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCF)C1 ZINC001108124607 922581793 /nfs/dbraw/zinc/58/17/93/922581793.db2.gz ORHCRQWUPNGCCO-CYBMUJFWSA-N 1 2 258.337 1.129 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCCF)C1 ZINC001108124607 922581800 /nfs/dbraw/zinc/58/18/00/922581800.db2.gz ORHCRQWUPNGCCO-CYBMUJFWSA-N 1 2 258.337 1.129 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001191714898 922705948 /nfs/dbraw/zinc/70/59/48/922705948.db2.gz LTJFNBXLLXEPHK-HZPDHXFCSA-N 1 2 299.374 1.186 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001191714898 922705962 /nfs/dbraw/zinc/70/59/62/922705962.db2.gz LTJFNBXLLXEPHK-HZPDHXFCSA-N 1 2 299.374 1.186 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NC[C@@]1(C)C[N@H+](CC#CC)CCO1 ZINC001108147724 922775718 /nfs/dbraw/zinc/77/57/18/922775718.db2.gz CMLQMQOWDDTQIP-RDJZCZTQSA-N 1 2 292.423 1.819 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NC[C@@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001108147724 922775726 /nfs/dbraw/zinc/77/57/26/922775726.db2.gz CMLQMQOWDDTQIP-RDJZCZTQSA-N 1 2 292.423 1.819 20 30 CDEDLO C#CCC1(C(=O)NCC[NH2+][C@@H](C)c2csnn2)CCC1 ZINC001129125590 922930202 /nfs/dbraw/zinc/93/02/02/922930202.db2.gz XPXVQZXUVIJLHF-NSHDSACASA-N 1 2 292.408 1.499 20 30 CDEDLO COc1ccnc(NC[C@H]([NH3+])C(=O)OC(C)(C)C)c1C#N ZINC001162849184 923116052 /nfs/dbraw/zinc/11/60/52/923116052.db2.gz GIGLRDCFXRCMHZ-JTQLQIEISA-N 1 2 292.339 1.043 20 30 CDEDLO CN1CCOc2cc(C[N@@H+]3CC[C@H](C#N)C3)ccc21 ZINC001141144012 936819349 /nfs/dbraw/zinc/81/93/49/936819349.db2.gz SNYHFFLKDRROQC-CYBMUJFWSA-N 1 2 257.337 1.861 20 30 CDEDLO CN1CCOc2cc(C[N@H+]3CC[C@H](C#N)C3)ccc21 ZINC001141144012 936819350 /nfs/dbraw/zinc/81/93/50/936819350.db2.gz SNYHFFLKDRROQC-CYBMUJFWSA-N 1 2 257.337 1.861 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ncc(Cl)nc2Cl)CC1 ZINC001141136552 936818044 /nfs/dbraw/zinc/81/80/44/936818044.db2.gz BWTCGEFNNQLHTE-UHFFFAOYSA-N 1 2 285.178 1.534 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(C)c2Cl)[C@@H](O)C1 ZINC001083874096 923459166 /nfs/dbraw/zinc/45/91/66/923459166.db2.gz GBOXCYCQODEXRG-OLZOCXBDSA-N 1 2 292.766 1.057 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C)c2Cl)[C@@H](O)C1 ZINC001083874096 923459169 /nfs/dbraw/zinc/45/91/69/923459169.db2.gz GBOXCYCQODEXRG-OLZOCXBDSA-N 1 2 292.766 1.057 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001079658376 924393586 /nfs/dbraw/zinc/39/35/86/924393586.db2.gz YOASLFPVUOGWML-LDYMZIIASA-N 1 2 298.774 1.110 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001079658376 924393593 /nfs/dbraw/zinc/39/35/93/924393593.db2.gz YOASLFPVUOGWML-LDYMZIIASA-N 1 2 298.774 1.110 20 30 CDEDLO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[NH2+]C[C@H]1C#N ZINC001164652429 924959713 /nfs/dbraw/zinc/95/97/13/924959713.db2.gz RAHFGOGEAXAGGO-SECBINFHSA-N 1 2 297.696 1.453 20 30 CDEDLO CCc1cc(C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)ccc1C#N ZINC001197294336 925117444 /nfs/dbraw/zinc/11/74/44/925117444.db2.gz RRIZVCQLGRHNES-OAHLLOKOSA-N 1 2 298.346 1.177 20 30 CDEDLO CCc1cc(C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)ccc1C#N ZINC001197294336 925117446 /nfs/dbraw/zinc/11/74/46/925117446.db2.gz RRIZVCQLGRHNES-OAHLLOKOSA-N 1 2 298.346 1.177 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3=COCCC3)[C@@H]2C1 ZINC001084227012 925194660 /nfs/dbraw/zinc/19/46/60/925194660.db2.gz LUMGJSPICAVHOZ-TZMCWYRMSA-N 1 2 296.798 1.966 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3=COCCC3)[C@@H]2C1 ZINC001084227012 925194663 /nfs/dbraw/zinc/19/46/63/925194663.db2.gz LUMGJSPICAVHOZ-TZMCWYRMSA-N 1 2 296.798 1.966 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)CCCCCC)C1 ZINC001197774982 925214387 /nfs/dbraw/zinc/21/43/87/925214387.db2.gz CHCCGIBQJLFZCR-RBSFLKMASA-N 1 2 298.402 1.480 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)CCCCCC)C1 ZINC001197774982 925214395 /nfs/dbraw/zinc/21/43/95/925214395.db2.gz CHCCGIBQJLFZCR-RBSFLKMASA-N 1 2 298.402 1.480 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC(OC)C3)[C@@H]2C1 ZINC001084435334 925262623 /nfs/dbraw/zinc/26/26/23/925262623.db2.gz XQYJCXDZNWLNEM-BLYZHGLHSA-N 1 2 298.814 1.697 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC(OC)C3)[C@@H]2C1 ZINC001084435334 925262627 /nfs/dbraw/zinc/26/26/27/925262627.db2.gz XQYJCXDZNWLNEM-BLYZHGLHSA-N 1 2 298.814 1.697 20 30 CDEDLO C#CC[C@H]([NH2+]C1CCC(C)(C(=O)OC)CC1)C(=O)OC ZINC001168765598 925488198 /nfs/dbraw/zinc/48/81/98/925488198.db2.gz XYGXNJMYZCQDLC-AVERBVTBSA-N 1 2 281.352 1.263 20 30 CDEDLO Cn1nccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110531562 925696238 /nfs/dbraw/zinc/69/62/38/925696238.db2.gz DUAUHXVAWTZHIL-BMFZPTHFSA-N 1 2 298.390 1.055 20 30 CDEDLO Cn1nccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC1CC1)C2 ZINC001110531562 925696246 /nfs/dbraw/zinc/69/62/46/925696246.db2.gz DUAUHXVAWTZHIL-BMFZPTHFSA-N 1 2 298.390 1.055 20 30 CDEDLO C#CC[C@@H]1NC(=O)N(Cc2cc[nH+]c(N3CCCC3)c2)C1=O ZINC000842235900 937039827 /nfs/dbraw/zinc/03/98/27/937039827.db2.gz KVONQDRDHZUHQS-ZDUSSCGKSA-N 1 2 298.346 1.126 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OC)ns1 ZINC001085602372 926198410 /nfs/dbraw/zinc/19/84/10/926198410.db2.gz YVAPAAAKPZGLBX-LLVKDONJSA-N 1 2 295.408 1.874 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OC)ns1 ZINC001085602372 926198413 /nfs/dbraw/zinc/19/84/13/926198413.db2.gz YVAPAAAKPZGLBX-LLVKDONJSA-N 1 2 295.408 1.874 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(Cl)cnn1CC ZINC001085617617 926220141 /nfs/dbraw/zinc/22/01/41/926220141.db2.gz RZEAIEWIUQPEJP-NSHDSACASA-N 1 2 294.786 1.336 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(Cl)cnn1CC ZINC001085617617 926220147 /nfs/dbraw/zinc/22/01/47/926220147.db2.gz RZEAIEWIUQPEJP-NSHDSACASA-N 1 2 294.786 1.336 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)nn(C)c1Cl ZINC001085747753 926349424 /nfs/dbraw/zinc/34/94/24/926349424.db2.gz OROVUJCDVOINDG-NSHDSACASA-N 1 2 294.786 1.161 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)nn(C)c1Cl ZINC001085747753 926349432 /nfs/dbraw/zinc/34/94/32/926349432.db2.gz OROVUJCDVOINDG-NSHDSACASA-N 1 2 294.786 1.161 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1occc1CC ZINC001085800651 926411003 /nfs/dbraw/zinc/41/10/03/926411003.db2.gz ZGRDCYRFRLBRKR-ZDUSSCGKSA-N 1 2 260.337 1.622 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1occc1CC ZINC001085800651 926411008 /nfs/dbraw/zinc/41/10/08/926411008.db2.gz ZGRDCYRFRLBRKR-ZDUSSCGKSA-N 1 2 260.337 1.622 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnnc2ccccc21 ZINC001085843377 926443283 /nfs/dbraw/zinc/44/32/83/926443283.db2.gz KLMNJHUIIDFLJV-ZDUSSCGKSA-N 1 2 294.358 1.409 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnnc2ccccc21 ZINC001085843377 926443287 /nfs/dbraw/zinc/44/32/87/926443287.db2.gz KLMNJHUIIDFLJV-ZDUSSCGKSA-N 1 2 294.358 1.409 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1oc(C(C)C)nc1C ZINC001085865317 926466981 /nfs/dbraw/zinc/46/69/81/926466981.db2.gz ZVWXYAXYTGZCEB-ZDUSSCGKSA-N 1 2 289.379 1.886 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1oc(C(C)C)nc1C ZINC001085865317 926466986 /nfs/dbraw/zinc/46/69/86/926466986.db2.gz ZVWXYAXYTGZCEB-ZDUSSCGKSA-N 1 2 289.379 1.886 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nccs1 ZINC001085889663 926478663 /nfs/dbraw/zinc/47/86/63/926478663.db2.gz FMGFNZYFYVOPIA-SNVBAGLBSA-N 1 2 251.355 1.475 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nccs1 ZINC001085889663 926478666 /nfs/dbraw/zinc/47/86/66/926478666.db2.gz FMGFNZYFYVOPIA-SNVBAGLBSA-N 1 2 251.355 1.475 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(F)cc1C ZINC001085937652 926524480 /nfs/dbraw/zinc/52/44/80/926524480.db2.gz KTSXUQKICGYWDR-AWEZNQCLSA-N 1 2 274.339 1.914 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(F)cc1C ZINC001085937652 926524494 /nfs/dbraw/zinc/52/44/94/926524494.db2.gz KTSXUQKICGYWDR-AWEZNQCLSA-N 1 2 274.339 1.914 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001016443672 926872071 /nfs/dbraw/zinc/87/20/71/926872071.db2.gz OPDJBQBYGUJTKA-DGCLKSJQSA-N 1 2 296.802 1.467 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001016443672 926872081 /nfs/dbraw/zinc/87/20/81/926872081.db2.gz OPDJBQBYGUJTKA-DGCLKSJQSA-N 1 2 296.802 1.467 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)C2CC2)C1 ZINC001108424144 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C=C(C)CCC(=O)N1CC[NH+]([C@H]2CCCN(C)C2=O)CC1 ZINC001112901462 929552057 /nfs/dbraw/zinc/55/20/57/929552057.db2.gz OMBILYQTGJZBTL-AWEZNQCLSA-N 1 2 293.411 1.108 20 30 CDEDLO CC[N@H+](Cc1nccc(C)n1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152450376 937362876 /nfs/dbraw/zinc/36/28/76/937362876.db2.gz ZNQYRFPBVFKJAL-WCQYABFASA-N 1 2 289.383 1.271 20 30 CDEDLO CC[N@@H+](Cc1nccc(C)n1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152450376 937362879 /nfs/dbraw/zinc/36/28/79/937362879.db2.gz ZNQYRFPBVFKJAL-WCQYABFASA-N 1 2 289.383 1.271 20 30 CDEDLO C#C[C@H](CC)NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000882133394 929952131 /nfs/dbraw/zinc/95/21/31/929952131.db2.gz OVVSTTDUMLXWIE-CYBMUJFWSA-N 1 2 292.404 1.365 20 30 CDEDLO C#C[C@H](CC)NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000882133394 929952138 /nfs/dbraw/zinc/95/21/38/929952138.db2.gz OVVSTTDUMLXWIE-CYBMUJFWSA-N 1 2 292.404 1.365 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H](C)CCSC ZINC000884147619 930460133 /nfs/dbraw/zinc/46/01/33/930460133.db2.gz 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CC#CC[N@H+]1CCC[C@H](NC(=O)c2cc(Cl)no2)C1 ZINC001009291026 935423053 /nfs/dbraw/zinc/42/30/53/935423053.db2.gz JJLLEXBKJXKRIO-JTQLQIEISA-N 1 2 281.743 1.546 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(=O)[nH]1 ZINC001017448000 935639226 /nfs/dbraw/zinc/63/92/26/935639226.db2.gz UGNBGIPCAWEFEU-BETUJISGSA-N 1 2 285.347 1.099 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(=O)[nH]1 ZINC001017448000 935639228 /nfs/dbraw/zinc/63/92/28/935639228.db2.gz UGNBGIPCAWEFEU-BETUJISGSA-N 1 2 285.347 1.099 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)n1cccc1 ZINC001017483347 935640495 /nfs/dbraw/zinc/64/04/95/935640495.db2.gz QMVIMVBAUVYWIT-HRCADAONSA-N 1 2 285.391 1.748 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)n1cccc1 ZINC001017483347 935640498 /nfs/dbraw/zinc/64/04/98/935640498.db2.gz QMVIMVBAUVYWIT-HRCADAONSA-N 1 2 285.391 1.748 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](OC)C1 ZINC001017690718 935646695 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/nfs/dbraw/zinc/79/43/36/942794336.db2.gz ZMKGWKCGTHAXAT-JSGCOSHPSA-N 1 2 293.411 1.152 20 30 CDEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CCCC(=O)N3)CC2)c1 ZINC001232677903 943358493 /nfs/dbraw/zinc/35/84/93/943358493.db2.gz RMQYUZMOMIFVGP-UHFFFAOYSA-N 1 2 299.374 1.899 20 30 CDEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CCC(=O)N3)CC2)c1 ZINC001232680344 943361728 /nfs/dbraw/zinc/36/17/28/943361728.db2.gz CJOSQUUCDWHYSJ-UHFFFAOYSA-N 1 2 285.347 1.508 20 30 CDEDLO CCOC(=O)c1nc[nH]c1C[NH+]1CCC(CC#N)CC1 ZINC001232918975 943432906 /nfs/dbraw/zinc/43/29/06/943432906.db2.gz SHQINXIETLVMIY-UHFFFAOYSA-N 1 2 276.340 1.712 20 30 CDEDLO N#Cc1cccc(C[NH+]2CC3(C2)C[C@@H](F)CS3)n1 ZINC001232925776 943435985 /nfs/dbraw/zinc/43/59/85/943435985.db2.gz OZTKMUORRZSTFJ-SNVBAGLBSA-N 1 2 263.341 1.983 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnc(OC)c3ccccc23)CC1 ZINC001232951549 943444671 /nfs/dbraw/zinc/44/46/71/943444671.db2.gz PFUXIBQRMQTPRV-UHFFFAOYSA-N 1 2 295.386 1.994 20 30 CDEDLO Cn1ncc2c1CC[N@H+](Cc1ccc(C#N)cc1O)C2 ZINC001233387448 943574152 /nfs/dbraw/zinc/57/41/52/943574152.db2.gz JWSOJEUQSXLQEC-UHFFFAOYSA-N 1 2 268.320 1.556 20 30 CDEDLO Cn1ncc2c1CC[N@@H+](Cc1ccc(C#N)cc1O)C2 ZINC001233387448 943574155 /nfs/dbraw/zinc/57/41/55/943574155.db2.gz JWSOJEUQSXLQEC-UHFFFAOYSA-N 1 2 268.320 1.556 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC1(C)C ZINC001233673593 943638118 /nfs/dbraw/zinc/63/81/18/943638118.db2.gz GMUAHXKJKUNRHO-KGLIPLIRSA-N 1 2 278.396 1.215 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC1(C)C ZINC001233673593 943638120 /nfs/dbraw/zinc/63/81/20/943638120.db2.gz GMUAHXKJKUNRHO-KGLIPLIRSA-N 1 2 278.396 1.215 20 30 CDEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cnn(C)c1 ZINC001234120463 943746355 /nfs/dbraw/zinc/74/63/55/943746355.db2.gz UCAIFXWCQOWRBH-HNNXBMFYSA-N 1 2 288.395 1.112 20 30 CDEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cnn(C)c1 ZINC001234120463 943746358 /nfs/dbraw/zinc/74/63/58/943746358.db2.gz UCAIFXWCQOWRBH-HNNXBMFYSA-N 1 2 288.395 1.112 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C(F)F)CC1 ZINC001234305176 943799865 /nfs/dbraw/zinc/79/98/65/943799865.db2.gz QRDOVENBOCULRZ-SNVBAGLBSA-N 1 2 256.296 1.198 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C(F)F)CC1 ZINC001234305176 943799872 /nfs/dbraw/zinc/79/98/72/943799872.db2.gz QRDOVENBOCULRZ-SNVBAGLBSA-N 1 2 256.296 1.198 20 30 CDEDLO COC[C@H]1COCC[N@@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237472532 944802344 /nfs/dbraw/zinc/80/23/44/944802344.db2.gz IZMMCSYAAJCLJJ-HNNXBMFYSA-N 1 2 299.374 1.897 20 30 CDEDLO COC[C@H]1COCC[N@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237472532 944802350 /nfs/dbraw/zinc/80/23/50/944802350.db2.gz IZMMCSYAAJCLJJ-HNNXBMFYSA-N 1 2 299.374 1.897 20 30 CDEDLO Cn1cc2c(n1)CC[N@@H+](Cc1cn3cc(C#N)ccc3n1)C2 ZINC001237606463 944878545 /nfs/dbraw/zinc/87/85/45/944878545.db2.gz MKBKVWRDMJIWSN-UHFFFAOYSA-N 1 2 292.346 1.498 20 30 CDEDLO Cn1cc2c(n1)CC[N@H+](Cc1cn3cc(C#N)ccc3n1)C2 ZINC001237606463 944878552 /nfs/dbraw/zinc/87/85/52/944878552.db2.gz MKBKVWRDMJIWSN-UHFFFAOYSA-N 1 2 292.346 1.498 20 30 CDEDLO C#CCO[NH+]=Cc1sc(N2CCOCC2)nc1C ZINC001261211027 945998271 /nfs/dbraw/zinc/99/82/71/945998271.db2.gz HVYIQNLBFNXLDQ-UHFFFAOYSA-N 1 2 265.338 1.272 20 30 CDEDLO N#Cc1ccnc(-c2ccc(C[NH+]3CC(O)C3)cc2)n1 ZINC001243636590 947164543 /nfs/dbraw/zinc/16/45/43/947164543.db2.gz IPQOQCZXAHQMGM-UHFFFAOYSA-N 1 2 266.304 1.192 20 30 CDEDLO COC(=O)c1cnc2c(c1)C[N@H+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC001254679848 947592434 /nfs/dbraw/zinc/59/24/34/947592434.db2.gz QBUPOIJCUOBARH-SMDDNHRTSA-N 1 2 285.347 1.919 20 30 CDEDLO COC(=O)c1cnc2c(c1)C[N@@H+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC001254679848 947592440 /nfs/dbraw/zinc/59/24/40/947592440.db2.gz QBUPOIJCUOBARH-SMDDNHRTSA-N 1 2 285.347 1.919 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@H](Oc2nccc(C)n2)C1 ZINC001255176871 947765455 /nfs/dbraw/zinc/76/54/55/947765455.db2.gz HLAHXJJYQIVBMI-STQMWFEESA-N 1 2 260.341 1.930 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CC[C@H](Oc2nccc(C)n2)C1 ZINC001255176871 947765462 /nfs/dbraw/zinc/76/54/62/947765462.db2.gz HLAHXJJYQIVBMI-STQMWFEESA-N 1 2 260.341 1.930 20 30 CDEDLO C[C@@H](CC(F)(F)F)[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001255655982 948056072 /nfs/dbraw/zinc/05/60/72/948056072.db2.gz OIVAWPFGPAUYOP-JTQLQIEISA-N 1 2 299.300 1.811 20 30 CDEDLO N#C[C@H]1CN(C2CC[NH+](Cc3ccncc3)CC2)CCC1=O ZINC001256592610 948357475 /nfs/dbraw/zinc/35/74/75/948357475.db2.gz GYQLWLFOCIPBGD-HNNXBMFYSA-N 1 2 298.390 1.461 20 30 CDEDLO N#CC1CN(C2CC[NH+](Cc3ccncc3)CC2)CCC1=O ZINC001256592610 948357480 /nfs/dbraw/zinc/35/74/80/948357480.db2.gz GYQLWLFOCIPBGD-HNNXBMFYSA-N 1 2 298.390 1.461 20 30 CDEDLO C=C1C[C@@H]2CC([NH2+][C@@H](CC(=O)OC)C(=O)OC)C[C@H](C1)C2 ZINC001257887246 948655757 /nfs/dbraw/zinc/65/57/57/948655757.db2.gz YQQBFNMIPYOIRT-PIGZVRMJSA-N 1 2 295.379 1.816 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)COC)[C@H]1C ZINC001278495838 948888640 /nfs/dbraw/zinc/88/86/40/948888640.db2.gz WGNCQGODIHZRCL-GHMZBOCLSA-N 1 2 260.765 1.354 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)COC)[C@H]1C ZINC001278495838 948888659 /nfs/dbraw/zinc/88/86/59/948888659.db2.gz WGNCQGODIHZRCL-GHMZBOCLSA-N 1 2 260.765 1.354 20 30 CDEDLO N#Cc1cnc(-c2ccc(C[NH+]3CC(O)C3)cc2)nc1 ZINC001250508418 950229647 /nfs/dbraw/zinc/22/96/47/950229647.db2.gz PQNWCYAOMRUHNG-UHFFFAOYSA-N 1 2 266.304 1.192 20 30 CDEDLO C#CCOC[C@H](O)C[NH+]1CC(Oc2ccc(F)c(F)c2)C1 ZINC001251847578 950869794 /nfs/dbraw/zinc/86/97/94/950869794.db2.gz IRHYHGBXZAVNJM-LLVKDONJSA-N 1 2 297.301 1.039 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCOC[C@@H]1c1cccnc1 ZINC001252602576 951495371 /nfs/dbraw/zinc/49/53/71/951495371.db2.gz UTUPKZXAEBCGFI-LSDHHAIUSA-N 1 2 262.353 1.782 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCOC[C@@H]1c1cccnc1 ZINC001252602576 951495376 /nfs/dbraw/zinc/49/53/76/951495376.db2.gz UTUPKZXAEBCGFI-LSDHHAIUSA-N 1 2 262.353 1.782 20 30 CDEDLO COc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001252889580 951697201 /nfs/dbraw/zinc/69/72/01/951697201.db2.gz ZRUWPZISKRVINN-UONOGXRCSA-N 1 2 290.363 1.670 20 30 CDEDLO COc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](C#N)C1 ZINC001252889580 951697206 /nfs/dbraw/zinc/69/72/06/951697206.db2.gz ZRUWPZISKRVINN-UONOGXRCSA-N 1 2 290.363 1.670 20 30 CDEDLO COc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](C#N)C1 ZINC001252889073 951697923 /nfs/dbraw/zinc/69/79/23/951697923.db2.gz TVDBYVXWNHYLTK-OLZOCXBDSA-N 1 2 276.336 1.280 20 30 CDEDLO COc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](C#N)C1 ZINC001252889073 951697931 /nfs/dbraw/zinc/69/79/31/951697931.db2.gz TVDBYVXWNHYLTK-OLZOCXBDSA-N 1 2 276.336 1.280 20 30 CDEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)N[C@@H](CC(C)C)C1=O ZINC001253580137 951969369 /nfs/dbraw/zinc/96/93/69/951969369.db2.gz RGFXIIJMQBWGOT-ZDUSSCGKSA-N 1 2 277.368 1.256 20 30 CDEDLO C#CC[N@H+](CC1CC1)CN1C(=O)N[C@@H](CC(C)C)C1=O ZINC001253580137 951969367 /nfs/dbraw/zinc/96/93/67/951969367.db2.gz RGFXIIJMQBWGOT-ZDUSSCGKSA-N 1 2 277.368 1.256 20 30 CDEDLO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ncn(C)n1 ZINC001364400065 954562685 /nfs/dbraw/zinc/56/26/85/954562685.db2.gz FAMGHWUHAOZSCH-LLVKDONJSA-N 1 2 298.350 1.366 20 30 CDEDLO C[C@H]1C[C@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)c2nccn21 ZINC001327121030 954717327 /nfs/dbraw/zinc/71/73/27/954717327.db2.gz NHOMWECSUPXOBK-GWCFXTLKSA-N 1 2 293.334 1.593 20 30 CDEDLO C#CC[C@@H](CCOC)NC(=O)NCCCCn1cc[nH+]c1 ZINC001328687741 955413597 /nfs/dbraw/zinc/41/35/97/955413597.db2.gz BTZCLEASMIKZPM-AWEZNQCLSA-N 1 2 292.383 1.391 20 30 CDEDLO N#Cc1cccc([C@H](O)C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)c1 ZINC001365274114 955808277 /nfs/dbraw/zinc/80/82/77/955808277.db2.gz DZEWXKYYYARLMN-HRCADAONSA-N 1 2 299.374 1.335 20 30 CDEDLO N#Cc1cccc([C@H](O)C[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)c1 ZINC001365274114 955808287 /nfs/dbraw/zinc/80/82/87/955808287.db2.gz DZEWXKYYYARLMN-HRCADAONSA-N 1 2 299.374 1.335 20 30 CDEDLO COc1ccc(NC(=O)NC(=O)C[NH2+][C@H](C)CC#N)cc1 ZINC001365309557 955873625 /nfs/dbraw/zinc/87/36/25/955873625.db2.gz BJLPTTRQYAWYQA-SNVBAGLBSA-N 1 2 290.323 1.235 20 30 CDEDLO CN(C)c1[nH+]cc(Cn2cc(C#N)nn2)c2ccccc21 ZINC001307349385 956395424 /nfs/dbraw/zinc/39/54/24/956395424.db2.gz FHHIYVNOWHRSOV-UHFFFAOYSA-N 1 2 278.319 1.812 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)Oc2ccccc2F)CC1 ZINC001313444273 956862492 /nfs/dbraw/zinc/86/24/92/956862492.db2.gz BHDVECDOQFEWHZ-ZDUSSCGKSA-N 1 2 292.354 1.923 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccc2nonc2c1 ZINC001366560441 956966971 /nfs/dbraw/zinc/96/69/71/956966971.db2.gz SZPGDKABZRAFOS-UHFFFAOYSA-N 1 2 294.742 1.637 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccc2nonc2c1 ZINC001366560441 956966976 /nfs/dbraw/zinc/96/69/76/956966976.db2.gz SZPGDKABZRAFOS-UHFFFAOYSA-N 1 2 294.742 1.637 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CC[C@@H]1CCOC1 ZINC001366608716 957032865 /nfs/dbraw/zinc/03/28/65/957032865.db2.gz NOFWLVCTLLRYBO-CYBMUJFWSA-N 1 2 288.819 1.994 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CC[C@@H]1CCOC1 ZINC001366608716 957032876 /nfs/dbraw/zinc/03/28/76/957032876.db2.gz NOFWLVCTLLRYBO-CYBMUJFWSA-N 1 2 288.819 1.994 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCc1cncnc1 ZINC001424980624 957433018 /nfs/dbraw/zinc/43/30/18/957433018.db2.gz HVIKRCXMMWJQFU-GFCCVEGCSA-N 1 2 296.802 1.598 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCc1cncnc1 ZINC001424980624 957433023 /nfs/dbraw/zinc/43/30/23/957433023.db2.gz HVIKRCXMMWJQFU-GFCCVEGCSA-N 1 2 296.802 1.598 20 30 CDEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001319551486 958623898 /nfs/dbraw/zinc/62/38/98/958623898.db2.gz BCTNZPWURQHLAG-UHFFFAOYSA-N 1 2 291.307 1.115 20 30 CDEDLO C#CCOCC[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001319551486 958623906 /nfs/dbraw/zinc/62/39/06/958623906.db2.gz BCTNZPWURQHLAG-UHFFFAOYSA-N 1 2 291.307 1.115 20 30 CDEDLO C[C@H](Nc1cc(C#N)sc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC001334173155 958901639 /nfs/dbraw/zinc/90/16/39/958901639.db2.gz QSFFDWZPIXBAIA-GZMMTYOYSA-N 1 2 296.352 1.659 20 30 CDEDLO C[C@H](Nc1cc(C#N)sc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC001334173155 958901649 /nfs/dbraw/zinc/90/16/49/958901649.db2.gz QSFFDWZPIXBAIA-GZMMTYOYSA-N 1 2 296.352 1.659 20 30 CDEDLO N#CC[C@@H](O)C[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC001334643795 959255095 /nfs/dbraw/zinc/25/50/95/959255095.db2.gz KKOMJGOVZTUXEJ-CYBMUJFWSA-N 1 2 250.729 1.973 20 30 CDEDLO N#CC[C@@H](O)C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC001334643795 959255107 /nfs/dbraw/zinc/25/51/07/959255107.db2.gz KKOMJGOVZTUXEJ-CYBMUJFWSA-N 1 2 250.729 1.973 20 30 CDEDLO CC[C@H](C(=O)NCC1(CC#N)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001433971025 960828306 /nfs/dbraw/zinc/82/83/06/960828306.db2.gz XDZUJHSGXVPIFB-ZIAGYGMSSA-N 1 2 293.411 1.686 20 30 CDEDLO CC[C@H](C(=O)NCC1(CC#N)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001433971025 960828327 /nfs/dbraw/zinc/82/83/27/960828327.db2.gz XDZUJHSGXVPIFB-ZIAGYGMSSA-N 1 2 293.411 1.686 20 30 CDEDLO CC(C)[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ncon1 ZINC001650170858 1169784028 /nfs/dbraw/zinc/78/40/28/1169784028.db2.gz XXNXAPGQIANPFC-KGLIPLIRSA-N 1 2 286.335 1.962 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)C1CC[NH+](Cc2nccs2)CC1 ZINC001419073682 961338577 /nfs/dbraw/zinc/33/85/77/961338577.db2.gz RKOHPZATJAARCV-NSHDSACASA-N 1 2 292.408 1.726 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC001339982676 962666103 /nfs/dbraw/zinc/66/61/03/962666103.db2.gz AXYGVYIQQDRSBF-UHFFFAOYSA-N 1 2 266.304 1.760 20 30 CDEDLO C[C@H](C#N)C(=O)NCC[N@H+](C)Cc1cccc(F)c1F ZINC001437450029 962912457 /nfs/dbraw/zinc/91/24/57/962912457.db2.gz MCZCEZCREWVKPZ-SNVBAGLBSA-N 1 2 281.306 1.672 20 30 CDEDLO C[C@H](C#N)C(=O)NCC[N@@H+](C)Cc1cccc(F)c1F ZINC001437450029 962912466 /nfs/dbraw/zinc/91/24/66/962912466.db2.gz MCZCEZCREWVKPZ-SNVBAGLBSA-N 1 2 281.306 1.672 20 30 CDEDLO C=C(Cl)C[NH2+]C[C@H](C)NC(=O)c1[nH]nc2c1CCCC2 ZINC001420447165 962920469 /nfs/dbraw/zinc/92/04/69/962920469.db2.gz ZSSSGIRODDBNCH-JTQLQIEISA-N 1 2 296.802 1.749 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccnn1CC(C)C ZINC001437466973 962934163 /nfs/dbraw/zinc/93/41/63/962934163.db2.gz NEMYTHMBJUFCDE-UHFFFAOYSA-N 1 2 298.818 1.953 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccnn1CC(C)C ZINC001437466973 962934179 /nfs/dbraw/zinc/93/41/79/962934179.db2.gz NEMYTHMBJUFCDE-UHFFFAOYSA-N 1 2 298.818 1.953 20 30 CDEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H]1C ZINC001340592941 963021882 /nfs/dbraw/zinc/02/18/82/963021882.db2.gz FNEUCPKNIKMXIG-LBPRGKRZSA-N 1 2 286.383 1.777 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cnnn1CC)C1CC1 ZINC001420652179 963160876 /nfs/dbraw/zinc/16/08/76/963160876.db2.gz CXKZVWUQRAMWPP-UHFFFAOYSA-N 1 2 297.790 1.245 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cnnn1CC)C1CC1 ZINC001420652179 963160885 /nfs/dbraw/zinc/16/08/85/963160885.db2.gz CXKZVWUQRAMWPP-UHFFFAOYSA-N 1 2 297.790 1.245 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cn(CC)cn1)C1CC1 ZINC001437815524 963195656 /nfs/dbraw/zinc/19/56/56/963195656.db2.gz LJUBRANIWFYNFJ-UHFFFAOYSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cn(CC)cn1)C1CC1 ZINC001437815524 963195661 /nfs/dbraw/zinc/19/56/61/963195661.db2.gz LJUBRANIWFYNFJ-UHFFFAOYSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCc2cc(C)on2)C1 ZINC001421151336 963476780 /nfs/dbraw/zinc/47/67/80/963476780.db2.gz BRJRFFCUISOQRW-UHFFFAOYSA-N 1 2 297.786 1.716 20 30 CDEDLO C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)[C@@H](C)CC#N ZINC001342299094 963702607 /nfs/dbraw/zinc/70/26/07/963702607.db2.gz MBGORJLSSFUMSB-QWHCGFSZSA-N 1 2 288.399 1.969 20 30 CDEDLO C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N(C)[C@@H](C)CC#N ZINC001342299094 963702614 /nfs/dbraw/zinc/70/26/14/963702614.db2.gz MBGORJLSSFUMSB-QWHCGFSZSA-N 1 2 288.399 1.969 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)Cn1ccnc1C ZINC001440483724 964076509 /nfs/dbraw/zinc/07/65/09/964076509.db2.gz PTGBDPNARNGJPL-UHFFFAOYSA-N 1 2 298.818 1.724 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)Cn1ccnc1C ZINC001440483724 964076515 /nfs/dbraw/zinc/07/65/15/964076515.db2.gz PTGBDPNARNGJPL-UHFFFAOYSA-N 1 2 298.818 1.724 20 30 CDEDLO C=C(Cl)CN(C)CCCN(C)C(=O)Cn1cc[nH+]c1C ZINC001440483724 964076522 /nfs/dbraw/zinc/07/65/22/964076522.db2.gz PTGBDPNARNGJPL-UHFFFAOYSA-N 1 2 298.818 1.724 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnoc1CC ZINC001442542038 965106513 /nfs/dbraw/zinc/10/65/13/965106513.db2.gz ZWSWCOIHDBJHJP-UHFFFAOYSA-N 1 2 271.748 1.651 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnoc1CC ZINC001442542038 965106520 /nfs/dbraw/zinc/10/65/20/965106520.db2.gz ZWSWCOIHDBJHJP-UHFFFAOYSA-N 1 2 271.748 1.651 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccn(CC)n1 ZINC001445809402 966345666 /nfs/dbraw/zinc/34/56/66/966345666.db2.gz HQHYNOIBACUBIL-LLVKDONJSA-N 1 2 284.791 1.706 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccn(CC)n1 ZINC001445809402 966345676 /nfs/dbraw/zinc/34/56/76/966345676.db2.gz HQHYNOIBACUBIL-LLVKDONJSA-N 1 2 284.791 1.706 20 30 CDEDLO C=CC[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(=O)OCC ZINC001350958577 966811495 /nfs/dbraw/zinc/81/14/95/966811495.db2.gz ZZMVUGJBURXPQK-DGCLKSJQSA-N 1 2 291.351 1.070 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCc1nccn1C ZINC001448069383 966985074 /nfs/dbraw/zinc/98/50/74/966985074.db2.gz NRJAEHGIDWXDNJ-GFCCVEGCSA-N 1 2 298.818 1.542 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCc1nccn1C ZINC001448069383 966985080 /nfs/dbraw/zinc/98/50/80/966985080.db2.gz NRJAEHGIDWXDNJ-GFCCVEGCSA-N 1 2 298.818 1.542 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnc(C)n1C ZINC001448082122 966989269 /nfs/dbraw/zinc/98/92/69/966989269.db2.gz SUOLOLYVQJQIBP-JTQLQIEISA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnc(C)n1C ZINC001448082122 966989271 /nfs/dbraw/zinc/98/92/71/966989271.db2.gz SUOLOLYVQJQIBP-JTQLQIEISA-N 1 2 284.791 1.531 20 30 CDEDLO C#CCN(CC)c1nnc([C@H]2CCCC[N@@H+]2C)n1C ZINC001355670879 969242840 /nfs/dbraw/zinc/24/28/40/969242840.db2.gz DGLOTSQMULZPLP-GFCCVEGCSA-N 1 2 261.373 1.431 20 30 CDEDLO C#CCN(CC)c1nnc([C@H]2CCCC[N@H+]2C)n1C ZINC001355670879 969242845 /nfs/dbraw/zinc/24/28/45/969242845.db2.gz DGLOTSQMULZPLP-GFCCVEGCSA-N 1 2 261.373 1.431 20 30 CDEDLO Cc1cc(CNC(=O)[C@H](C)n2cnc(C#N)n2)cc(C)[nH+]1 ZINC001361631741 970362758 /nfs/dbraw/zinc/36/27/58/970362758.db2.gz ZUUSTBLMBIGVAS-NSHDSACASA-N 1 2 284.323 1.039 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1csc(=O)[nH]1 ZINC001418487344 973887889 /nfs/dbraw/zinc/88/78/89/973887889.db2.gz KCLANSIZGUMTFZ-UHFFFAOYSA-N 1 2 275.761 1.263 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1csc(=O)[nH]1 ZINC001418487344 973887899 /nfs/dbraw/zinc/88/78/99/973887899.db2.gz KCLANSIZGUMTFZ-UHFFFAOYSA-N 1 2 275.761 1.263 20 30 CDEDLO Cc1nnc([C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H](C)C#N)[nH]1 ZINC001502166649 974712538 /nfs/dbraw/zinc/71/25/38/974712538.db2.gz FCERDSBQDWNBIC-MNOVXSKESA-N 1 2 292.387 1.114 20 30 CDEDLO Cc1nnc([C@H](C)[N@H+](C)CCCN(C)C(=O)[C@H](C)C#N)[nH]1 ZINC001502166649 974712540 /nfs/dbraw/zinc/71/25/40/974712540.db2.gz FCERDSBQDWNBIC-MNOVXSKESA-N 1 2 292.387 1.114 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C1(COC)CCC1 ZINC001505965207 975063325 /nfs/dbraw/zinc/06/33/25/975063325.db2.gz JMQLXEDKNJTMKZ-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C1(COC)CCC1 ZINC001505965207 975063328 /nfs/dbraw/zinc/06/33/28/975063328.db2.gz JMQLXEDKNJTMKZ-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1nnc(C)o1 ZINC001401369923 975623145 /nfs/dbraw/zinc/62/31/45/975623145.db2.gz TYOSPRDDBFVMPA-UHFFFAOYSA-N 1 2 286.763 1.063 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1nnc(C)o1 ZINC001401369923 975623150 /nfs/dbraw/zinc/62/31/50/975623150.db2.gz TYOSPRDDBFVMPA-UHFFFAOYSA-N 1 2 286.763 1.063 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cccnc1OC ZINC001401382064 975634554 /nfs/dbraw/zinc/63/45/54/975634554.db2.gz HLUDGFRKDFBAMU-UHFFFAOYSA-N 1 2 297.786 1.847 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cccnc1OC ZINC001401382064 975634561 /nfs/dbraw/zinc/63/45/61/975634561.db2.gz HLUDGFRKDFBAMU-UHFFFAOYSA-N 1 2 297.786 1.847 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](C)c1cnn(C)c1 ZINC001401474167 975676814 /nfs/dbraw/zinc/67/68/14/975676814.db2.gz OPNRBYSVDNXMFJ-GFCCVEGCSA-N 1 2 298.818 1.666 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](C)c1cnn(C)c1 ZINC001401474167 975676820 /nfs/dbraw/zinc/67/68/20/975676820.db2.gz OPNRBYSVDNXMFJ-GFCCVEGCSA-N 1 2 298.818 1.666 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1cnn(C)c1C ZINC001390913558 976602488 /nfs/dbraw/zinc/60/24/88/976602488.db2.gz OUDOVJZDUQGKHI-UHFFFAOYSA-N 1 2 298.818 1.462 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1cnn(C)c1C ZINC001390913558 976602494 /nfs/dbraw/zinc/60/24/94/976602494.db2.gz OUDOVJZDUQGKHI-UHFFFAOYSA-N 1 2 298.818 1.462 20 30 CDEDLO Cc1cc(C[N@@H+](CCNC(=O)[C@H](C)C#N)C2CC2)on1 ZINC001399993871 976796878 /nfs/dbraw/zinc/79/68/78/976796878.db2.gz CSSUIQLJTALBOJ-SNVBAGLBSA-N 1 2 276.340 1.223 20 30 CDEDLO Cc1cc(C[N@H+](CCNC(=O)[C@H](C)C#N)C2CC2)on1 ZINC001399993871 976796889 /nfs/dbraw/zinc/79/68/89/976796889.db2.gz CSSUIQLJTALBOJ-SNVBAGLBSA-N 1 2 276.340 1.223 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(COC)CC2)C1 ZINC001391564370 976960915 /nfs/dbraw/zinc/96/09/15/976960915.db2.gz VAHYHCNKEFAMOX-NSHDSACASA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(COC)CC2)C1 ZINC001391564370 976960924 /nfs/dbraw/zinc/96/09/24/976960924.db2.gz VAHYHCNKEFAMOX-NSHDSACASA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cn1nc(C)cc1C ZINC001392296894 977394776 /nfs/dbraw/zinc/39/47/76/977394776.db2.gz ZGKQDZVPNRJUKR-UHFFFAOYSA-N 1 2 298.818 1.643 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cn1nc(C)cc1C ZINC001392296894 977394781 /nfs/dbraw/zinc/39/47/81/977394781.db2.gz ZGKQDZVPNRJUKR-UHFFFAOYSA-N 1 2 298.818 1.643 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cncs1 ZINC001392640180 977521832 /nfs/dbraw/zinc/52/18/32/977521832.db2.gz OFQHODKKMHUALR-SECBINFHSA-N 1 2 273.789 1.946 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cncs1 ZINC001392640180 977521833 /nfs/dbraw/zinc/52/18/33/977521833.db2.gz OFQHODKKMHUALR-SECBINFHSA-N 1 2 273.789 1.946 20 30 CDEDLO C#CCCCCCC(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001132398836 1163267708 /nfs/dbraw/zinc/26/77/08/1163267708.db2.gz QUCPIHYRHYSKPD-UHFFFAOYSA-N 1 2 288.395 1.575 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+]Cc1nc([C@@H](C)OC)no1 ZINC001133154806 1163585944 /nfs/dbraw/zinc/58/59/44/1163585944.db2.gz TXFUNXKDODNZCE-LLVKDONJSA-N 1 2 296.371 1.339 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+]Cc1ncc(CC)o1 ZINC001133154282 1163586385 /nfs/dbraw/zinc/58/63/85/1163586385.db2.gz FLINZDMQBJVICF-UHFFFAOYSA-N 1 2 265.357 1.799 20 30 CDEDLO C=CCCCC(=O)N1CC[C@@H](CC[NH2+]Cc2c[nH]nn2)C1 ZINC001575087889 1171110359 /nfs/dbraw/zinc/11/03/59/1171110359.db2.gz PGFVGAJHKYWYDM-CYBMUJFWSA-N 1 2 291.399 1.489 20 30 CDEDLO C=CCCCC(=O)N1CC[C@@H](CC[NH2+]Cc2cn[nH]n2)C1 ZINC001575087889 1171110366 /nfs/dbraw/zinc/11/03/66/1171110366.db2.gz PGFVGAJHKYWYDM-CYBMUJFWSA-N 1 2 291.399 1.489 20 30 CDEDLO N#Cc1cc(O)cc(C(=O)NCCNc2cccc[nH+]2)c1 ZINC000589166715 342498895 /nfs/dbraw/zinc/49/88/95/342498895.db2.gz WPCYYSVUHXNUHC-UHFFFAOYSA-N 1 2 282.303 1.501 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000589752016 342513284 /nfs/dbraw/zinc/51/32/84/342513284.db2.gz FRTLCOMRFBHHET-ZBFHGGJFSA-N 1 2 275.348 1.350 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000589752016 342513285 /nfs/dbraw/zinc/51/32/85/342513285.db2.gz FRTLCOMRFBHHET-ZBFHGGJFSA-N 1 2 275.348 1.350 20 30 CDEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(CC3(C#N)CC3)n2)C1 ZINC000590271900 342529321 /nfs/dbraw/zinc/52/93/21/342529321.db2.gz MCJMTNYBUFQJHB-NSHDSACASA-N 1 2 276.340 1.698 20 30 CDEDLO CC(C)[N@H+]1CCO[C@H](c2noc(CC3(C#N)CC3)n2)C1 ZINC000590271900 342529322 /nfs/dbraw/zinc/52/93/22/342529322.db2.gz MCJMTNYBUFQJHB-NSHDSACASA-N 1 2 276.340 1.698 20 30 CDEDLO CNC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076153365 342038331 /nfs/dbraw/zinc/03/83/31/342038331.db2.gz OOODRISUXKQDET-UONOGXRCSA-N 1 2 257.337 1.504 20 30 CDEDLO CNC(=O)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076153365 342038332 /nfs/dbraw/zinc/03/83/32/342038332.db2.gz OOODRISUXKQDET-UONOGXRCSA-N 1 2 257.337 1.504 20 30 CDEDLO CC(C)[C@H](CNC(=O)C1(C#N)CCCC1)[NH+]1CCOCC1 ZINC000042028895 342032858 /nfs/dbraw/zinc/03/28/58/342032858.db2.gz NVILQKJXENROKY-AWEZNQCLSA-N 1 2 293.411 1.543 20 30 CDEDLO O=C(N[C@H]1CCSC1)N1CCn2cc[nH+]c2C1 ZINC000329689505 361765012 /nfs/dbraw/zinc/76/50/12/361765012.db2.gz CNYFWAWTGDQLAO-VIFPVBQESA-N 1 2 252.343 1.118 20 30 CDEDLO C[C@@H](CCC#N)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000351606184 361797737 /nfs/dbraw/zinc/79/77/37/361797737.db2.gz BIIDOHPNMSRUCQ-HNNXBMFYSA-N 1 2 292.427 1.309 20 30 CDEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)c2cccn2C)CC1 ZINC000591011220 342613376 /nfs/dbraw/zinc/61/33/76/342613376.db2.gz KUECTXIAXGFZMY-CYBMUJFWSA-N 1 2 274.368 1.475 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CCC(C)(C)C1 ZINC000580333600 342616838 /nfs/dbraw/zinc/61/68/38/342616838.db2.gz WXDPNJSIKWZCAX-RISCZKNCSA-N 1 2 251.374 1.773 20 30 CDEDLO Cc1noc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000046086379 342127838 /nfs/dbraw/zinc/12/78/38/342127838.db2.gz UZSKBGRMBSJELE-UHFFFAOYSA-N 1 2 297.362 1.962 20 30 CDEDLO Cc1noc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000046086379 342127839 /nfs/dbraw/zinc/12/78/39/342127839.db2.gz UZSKBGRMBSJELE-UHFFFAOYSA-N 1 2 297.362 1.962 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000592148205 342668145 /nfs/dbraw/zinc/66/81/45/342668145.db2.gz RWZPSUFHDPIPQG-CYBMUJFWSA-N 1 2 274.280 1.180 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000592148205 342668146 /nfs/dbraw/zinc/66/81/46/342668146.db2.gz RWZPSUFHDPIPQG-CYBMUJFWSA-N 1 2 274.280 1.180 20 30 CDEDLO COC(=O)c1ccccc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151316 342668757 /nfs/dbraw/zinc/66/87/57/342668757.db2.gz LNOPXVLHKOXOCU-OAHLLOKOSA-N 1 2 274.320 1.324 20 30 CDEDLO COC(=O)c1ccccc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592151316 342668758 /nfs/dbraw/zinc/66/87/58/342668758.db2.gz LNOPXVLHKOXOCU-OAHLLOKOSA-N 1 2 274.320 1.324 20 30 CDEDLO CCOC(=O)c1ccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)o1 ZINC000592150838 342668848 /nfs/dbraw/zinc/66/88/48/342668848.db2.gz HLVOGETVXFWIJC-AWEZNQCLSA-N 1 2 278.308 1.307 20 30 CDEDLO CCOC(=O)c1ccc(C[N@H+]2CC[C@@](O)(CC#N)C2)o1 ZINC000592150838 342668849 /nfs/dbraw/zinc/66/88/49/342668849.db2.gz HLVOGETVXFWIJC-AWEZNQCLSA-N 1 2 278.308 1.307 20 30 CDEDLO COC(=O)c1cccc(OCC[N@H+](C)C[C@H](C)C#N)c1 ZINC000067979415 342178231 /nfs/dbraw/zinc/17/82/31/342178231.db2.gz HHISRZUGETYBBD-GFCCVEGCSA-N 1 2 276.336 1.943 20 30 CDEDLO COC(=O)c1cccc(OCC[N@@H+](C)C[C@H](C)C#N)c1 ZINC000067979415 342178232 /nfs/dbraw/zinc/17/82/32/342178232.db2.gz HHISRZUGETYBBD-GFCCVEGCSA-N 1 2 276.336 1.943 20 30 CDEDLO C[C@H]1CCCc2ncc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)n21 ZINC000593153534 342774074 /nfs/dbraw/zinc/77/40/74/342774074.db2.gz SVWHRXHVOPMOIU-NHYWBVRUSA-N 1 2 289.383 1.354 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1Cc2ccc(F)cc21 ZINC000593153385 342774286 /nfs/dbraw/zinc/77/42/86/342774286.db2.gz ZEDHLGHXQFEUQH-ZFWWWQNUSA-N 1 2 275.327 1.425 20 30 CDEDLO CC[C@@H](C#N)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000593483388 342801610 /nfs/dbraw/zinc/80/16/10/342801610.db2.gz YAMQJMVGSIAEQA-LBPRGKRZSA-N 1 2 282.347 1.735 20 30 CDEDLO CC[C@]1(C)C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000347083894 529407736 /nfs/dbraw/zinc/40/77/36/529407736.db2.gz ZRDUYSLZEYTISK-TZMCWYRMSA-N 1 2 279.384 1.438 20 30 CDEDLO CC[C@]1(C)C[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000347083894 529407737 /nfs/dbraw/zinc/40/77/37/529407737.db2.gz ZRDUYSLZEYTISK-TZMCWYRMSA-N 1 2 279.384 1.438 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)nc1 ZINC000593962193 342857914 /nfs/dbraw/zinc/85/79/14/342857914.db2.gz QCZBQCGFPFZEEL-HUUCEWRRSA-N 1 2 273.336 1.333 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)nc1 ZINC000593962193 342857915 /nfs/dbraw/zinc/85/79/15/342857915.db2.gz QCZBQCGFPFZEEL-HUUCEWRRSA-N 1 2 273.336 1.333 20 30 CDEDLO C#CCCCCNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000268332818 346913971 /nfs/dbraw/zinc/91/39/71/346913971.db2.gz WCDZVFUNPODXAU-UHFFFAOYSA-N 1 2 274.368 1.750 20 30 CDEDLO Cn1c[nH+]c(CN2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000595289629 343024166 /nfs/dbraw/zinc/02/41/66/343024166.db2.gz GIJBREFGGOFOIX-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO C[N@H+](CCc1ccc(C#N)cc1)Cc1n[nH]c(=O)o1 ZINC000595547476 343084167 /nfs/dbraw/zinc/08/41/67/343084167.db2.gz UJNZTXMGKWTPSB-UHFFFAOYSA-N 1 2 258.281 1.321 20 30 CDEDLO C[N@@H+](CCc1ccc(C#N)cc1)Cc1n[nH]c(=O)o1 ZINC000595547476 343084168 /nfs/dbraw/zinc/08/41/68/343084168.db2.gz UJNZTXMGKWTPSB-UHFFFAOYSA-N 1 2 258.281 1.321 20 30 CDEDLO C[N@H+](CCOc1cccc(C#N)c1)Cc1n[nH]c(=O)o1 ZINC000595547793 343084887 /nfs/dbraw/zinc/08/48/87/343084887.db2.gz SARLBYNODJZQGB-UHFFFAOYSA-N 1 2 274.280 1.158 20 30 CDEDLO C[N@@H+](CCOc1cccc(C#N)c1)Cc1n[nH]c(=O)o1 ZINC000595547793 343084889 /nfs/dbraw/zinc/08/48/89/343084889.db2.gz SARLBYNODJZQGB-UHFFFAOYSA-N 1 2 274.280 1.158 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1)C1CC1 ZINC000595608945 343108377 /nfs/dbraw/zinc/10/83/77/343108377.db2.gz CSEWVRHJQFWDQJ-SWLSCSKDSA-N 1 2 274.368 1.421 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1)C1CC1 ZINC000595608945 343108379 /nfs/dbraw/zinc/10/83/79/343108379.db2.gz CSEWVRHJQFWDQJ-SWLSCSKDSA-N 1 2 274.368 1.421 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000595613770 343109678 /nfs/dbraw/zinc/10/96/78/343109678.db2.gz HFWWKDXPFJADCQ-QWRGUYRKSA-N 1 2 289.301 1.775 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000595613770 343109680 /nfs/dbraw/zinc/10/96/80/343109680.db2.gz HFWWKDXPFJADCQ-QWRGUYRKSA-N 1 2 289.301 1.775 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000595619710 343111100 /nfs/dbraw/zinc/11/11/00/343111100.db2.gz FUYXLIWGYWGXHV-ZFWWWQNUSA-N 1 2 282.347 1.710 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000595619710 343111101 /nfs/dbraw/zinc/11/11/01/343111101.db2.gz FUYXLIWGYWGXHV-ZFWWWQNUSA-N 1 2 282.347 1.710 20 30 CDEDLO Cn1nccc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595630089 343113300 /nfs/dbraw/zinc/11/33/00/343113300.db2.gz SKELTJOAIMWIGG-UHFFFAOYSA-N 1 2 287.392 1.675 20 30 CDEDLO CN(CCCc1[nH]nc(N)c1C#N)c1cccc[nH+]1 ZINC000078595993 342338785 /nfs/dbraw/zinc/33/87/85/342338785.db2.gz LXHIWQIBBQUSMT-UHFFFAOYSA-N 1 2 256.313 1.328 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H]3C[C@H]3C2)nc1 ZINC000595809546 343159926 /nfs/dbraw/zinc/15/99/26/343159926.db2.gz GYDGZIQRQJDYCX-STQMWFEESA-N 1 2 291.376 1.069 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H]3C[C@H]3C2)nc1 ZINC000595809546 343159927 /nfs/dbraw/zinc/15/99/27/343159927.db2.gz GYDGZIQRQJDYCX-STQMWFEESA-N 1 2 291.376 1.069 20 30 CDEDLO COCC[C@H](C)O[NH+]=C(N)c1ccc(OC)cc1 ZINC000088511785 342386342 /nfs/dbraw/zinc/38/63/42/342386342.db2.gz UIUFEQGKLQRKIE-JTQLQIEISA-N 1 2 252.314 1.757 20 30 CDEDLO N#Cc1ccc(N(CC[NH+]2CCOCC2)CC2CC2)nc1 ZINC000596515092 343340087 /nfs/dbraw/zinc/34/00/87/343340087.db2.gz OMXKCTUQRJNJGX-UHFFFAOYSA-N 1 2 286.379 1.502 20 30 CDEDLO C[C@H](Nc1ccc(Cl)c(C#N)n1)c1[nH+]ccn1C ZINC000596544835 343347486 /nfs/dbraw/zinc/34/74/86/343347486.db2.gz VBMADHVZARIHPV-QMMMGPOBSA-N 1 2 261.716 1.935 20 30 CDEDLO C[C@@H]1OCCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC000330198587 362176922 /nfs/dbraw/zinc/17/69/22/362176922.db2.gz UHCWAVRGPSZVLJ-SDDRHHMPSA-N 1 2 278.356 1.221 20 30 CDEDLO Cn1cc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)nn1 ZINC000092111805 342411170 /nfs/dbraw/zinc/41/11/70/342411170.db2.gz GJWWSLTZYOSBPW-UHFFFAOYSA-N 1 2 296.378 1.399 20 30 CDEDLO Cn1cc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)nn1 ZINC000092111805 342411171 /nfs/dbraw/zinc/41/11/71/342411171.db2.gz GJWWSLTZYOSBPW-UHFFFAOYSA-N 1 2 296.378 1.399 20 30 CDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C/C=C/Cl ZINC000154859859 136395335 /nfs/dbraw/zinc/39/53/35/136395335.db2.gz MLMTWUFKRPGEFJ-KXMPLOMGSA-N 1 2 277.759 1.611 20 30 CDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C/C=C/Cl ZINC000154859859 136395336 /nfs/dbraw/zinc/39/53/36/136395336.db2.gz MLMTWUFKRPGEFJ-KXMPLOMGSA-N 1 2 277.759 1.611 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597995306 343684204 /nfs/dbraw/zinc/68/42/04/343684204.db2.gz MBHCVFXXZNFJFF-WDEREUQCSA-N 1 2 290.367 1.034 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597995306 343684206 /nfs/dbraw/zinc/68/42/06/343684206.db2.gz MBHCVFXXZNFJFF-WDEREUQCSA-N 1 2 290.367 1.034 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)c2cccc(C#N)c2)[C@@H](C)CO1 ZINC000597996631 343684609 /nfs/dbraw/zinc/68/46/09/343684609.db2.gz KJNMVQIOXJZJMG-QWHCGFSZSA-N 1 2 287.363 1.397 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cccc(C#N)c2)[C@@H](C)CO1 ZINC000597996631 343684611 /nfs/dbraw/zinc/68/46/11/343684611.db2.gz KJNMVQIOXJZJMG-QWHCGFSZSA-N 1 2 287.363 1.397 20 30 CDEDLO C[C@@]1(C#N)CCCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000612002699 346962222 /nfs/dbraw/zinc/96/22/22/346962222.db2.gz PQZFGQBODYXOSD-AWEZNQCLSA-N 1 2 275.356 1.608 20 30 CDEDLO C[C@H](C#N)N(C(=O)C1CC[NH+](CC(F)F)CC1)C1CC1 ZINC000598135938 343724811 /nfs/dbraw/zinc/72/48/11/343724811.db2.gz DLOGSUBBHYMMRG-SNVBAGLBSA-N 1 2 285.338 1.867 20 30 CDEDLO C=C[C@@H]([NH2+]CC1(CCOCC)CCC1)C(=O)OC ZINC000619704009 349860135 /nfs/dbraw/zinc/86/01/35/349860135.db2.gz WNYXGFYBVJIWBU-GFCCVEGCSA-N 1 2 255.358 1.901 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000598591409 343838103 /nfs/dbraw/zinc/83/81/03/343838103.db2.gz AZBQDSYMOSWSBW-OLZOCXBDSA-N 1 2 278.352 1.954 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCOC[C@H]1c1ccco1 ZINC000598591409 343838106 /nfs/dbraw/zinc/83/81/06/343838106.db2.gz AZBQDSYMOSWSBW-OLZOCXBDSA-N 1 2 278.352 1.954 20 30 CDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598591919 343838281 /nfs/dbraw/zinc/83/82/81/343838281.db2.gz FQMVLKLKOLMTLN-LEGQTRPTSA-N 1 2 272.414 1.128 20 30 CDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598591919 343838283 /nfs/dbraw/zinc/83/82/83/343838283.db2.gz FQMVLKLKOLMTLN-LEGQTRPTSA-N 1 2 272.414 1.128 20 30 CDEDLO COC(=O)[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1CCCCC1 ZINC000598612644 343842048 /nfs/dbraw/zinc/84/20/48/343842048.db2.gz QNJKGOFYBMRXGE-KGLIPLIRSA-N 1 2 296.411 1.999 20 30 CDEDLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598628122 343848560 /nfs/dbraw/zinc/84/85/60/343848560.db2.gz MPDQXDXGVTVEGY-ZWNOBZJWSA-N 1 2 274.336 1.168 20 30 CDEDLO CSc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(C)o1 ZINC000598837537 343915060 /nfs/dbraw/zinc/91/50/60/343915060.db2.gz WOQXSZYQIRIYSK-ZDUSSCGKSA-N 1 2 281.381 1.884 20 30 CDEDLO CCC(C#N)(CC)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598950042 343933585 /nfs/dbraw/zinc/93/35/85/343933585.db2.gz OGEDWFXHVQKQST-NSHDSACASA-N 1 2 260.341 1.644 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC#CCN1C(=O)c2ccccc2C1=O ZINC000599438532 344048808 /nfs/dbraw/zinc/04/88/08/344048808.db2.gz XEYZHMPKXJLOBX-ZDUSSCGKSA-N 1 2 295.342 1.568 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000185138958 362306545 /nfs/dbraw/zinc/30/65/45/362306545.db2.gz CEOIHHHXSKPGSM-NXEZZACHSA-N 1 2 280.372 1.708 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612108237 347023376 /nfs/dbraw/zinc/02/33/76/347023376.db2.gz UFBFRWARQJAANC-HIFRSBDPSA-N 1 2 294.399 1.042 20 30 CDEDLO C=C(C)C[C@@H](N[C@H](c1[nH+]ccn1C)C1CC1)C(=O)OC ZINC000602738547 344556841 /nfs/dbraw/zinc/55/68/41/344556841.db2.gz MLWRFQXNUWZLCC-OLZOCXBDSA-N 1 2 277.368 1.969 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)NCc1ccc(F)cc1 ZINC000602861724 344617317 /nfs/dbraw/zinc/61/73/17/344617317.db2.gz HXFDQBYOYHGAIR-WDEREUQCSA-N 1 2 263.316 1.722 20 30 CDEDLO Cc1cc(NCc2nc(C(F)(F)F)no2)c(C#N)c[nH+]1 ZINC000601139651 349914013 /nfs/dbraw/zinc/91/40/13/349914013.db2.gz LQPKJMRRUZCAPI-UHFFFAOYSA-N 1 2 283.213 1.698 20 30 CDEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612167701 347066166 /nfs/dbraw/zinc/06/61/66/347066166.db2.gz UXSJGCZGJSVFLB-SWLSCSKDSA-N 1 2 294.399 1.482 20 30 CDEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612167701 347066168 /nfs/dbraw/zinc/06/61/68/347066168.db2.gz UXSJGCZGJSVFLB-SWLSCSKDSA-N 1 2 294.399 1.482 20 30 CDEDLO C[C@]1(C#N)CCC[N@H+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000612166115 347067434 /nfs/dbraw/zinc/06/74/34/347067434.db2.gz POFYOIBWLNZKBP-MRXNPFEDSA-N 1 2 282.347 1.820 20 30 CDEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000612166115 347067436 /nfs/dbraw/zinc/06/74/36/347067436.db2.gz POFYOIBWLNZKBP-MRXNPFEDSA-N 1 2 282.347 1.820 20 30 CDEDLO CC[N@@H+](CC(=O)NCCc1ccc(F)cc1)C[C@H](C)C#N ZINC000049982140 344977481 /nfs/dbraw/zinc/97/74/81/344977481.db2.gz ZBDHFQWLAURKCU-CYBMUJFWSA-N 1 2 291.370 1.966 20 30 CDEDLO CC[N@H+](CC(=O)NCCc1ccc(F)cc1)C[C@H](C)C#N ZINC000049982140 344977484 /nfs/dbraw/zinc/97/74/84/344977484.db2.gz ZBDHFQWLAURKCU-CYBMUJFWSA-N 1 2 291.370 1.966 20 30 CDEDLO N#CCCC[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000050274753 344997836 /nfs/dbraw/zinc/99/78/36/344997836.db2.gz YRLVVPLKUIHLBX-UHFFFAOYSA-N 1 2 263.366 1.810 20 30 CDEDLO N#CCCN(Cc1ccco1)C(=O)CCc1[nH]cc[nH+]1 ZINC000279234610 345387137 /nfs/dbraw/zinc/38/71/37/345387137.db2.gz PMXYRGXMQNOTDI-UHFFFAOYSA-N 1 2 272.308 1.878 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000340651413 345495675 /nfs/dbraw/zinc/49/56/75/345495675.db2.gz RLTBCZGNQYKXRO-STQMWFEESA-N 1 2 292.383 1.249 20 30 CDEDLO C=CCOCCCC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000608125178 345602148 /nfs/dbraw/zinc/60/21/48/345602148.db2.gz LNSFPYBLJHTJCT-UHFFFAOYSA-N 1 2 276.336 1.654 20 30 CDEDLO C=CC[C@@H]1CCCN(C(=O)[C@@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000617780690 345968705 /nfs/dbraw/zinc/96/87/05/345968705.db2.gz ZHVWJZFBCNHJHE-UKRRQHHQSA-N 1 2 290.411 1.838 20 30 CDEDLO COc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)CC#N)C2=O)cc1 ZINC000609678320 345989354 /nfs/dbraw/zinc/98/93/54/345989354.db2.gz XMPUSQQDCSAONH-SWLSCSKDSA-N 1 2 287.363 1.688 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1nc2ccccc2n1C ZINC000177195721 346233056 /nfs/dbraw/zinc/23/30/56/346233056.db2.gz GBIFJIKSIPAMED-GFCCVEGCSA-N 1 2 286.379 1.696 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1nc2ccccc2n1C ZINC000177195721 346233060 /nfs/dbraw/zinc/23/30/60/346233060.db2.gz GBIFJIKSIPAMED-GFCCVEGCSA-N 1 2 286.379 1.696 20 30 CDEDLO N#Cc1cc([N+](=O)[O-])cnc1NCCCCn1cc[nH+]c1 ZINC000050442524 346249686 /nfs/dbraw/zinc/24/96/86/346249686.db2.gz OUISFQNBFYVWGJ-UHFFFAOYSA-N 1 2 286.295 1.950 20 30 CDEDLO Cc1cccn2cc(CCNC(=O)C(C)(C)C#N)[nH+]c12 ZINC000610435063 346281862 /nfs/dbraw/zinc/28/18/62/346281862.db2.gz WOGOMGKDQLOPFV-UHFFFAOYSA-N 1 2 270.336 1.851 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610729938 346383961 /nfs/dbraw/zinc/38/39/61/346383961.db2.gz PEYSPPGGWZBBPD-ZFWWWQNUSA-N 1 2 287.363 1.726 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610729938 346383963 /nfs/dbraw/zinc/38/39/63/346383963.db2.gz PEYSPPGGWZBBPD-ZFWWWQNUSA-N 1 2 287.363 1.726 20 30 CDEDLO Cc1ccn2cc(CNc3ccc(C#N)nn3)[nH+]c2c1 ZINC000611153127 346623260 /nfs/dbraw/zinc/62/32/60/346623260.db2.gz FZSHGYISAKQOIA-UHFFFAOYSA-N 1 2 264.292 1.338 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)[nH]1 ZINC000611030272 346585027 /nfs/dbraw/zinc/58/50/27/346585027.db2.gz VJXIAELRZDBQRE-LBPRGKRZSA-N 1 2 269.308 1.560 20 30 CDEDLO CC[N@H+](Cc1cc(C#N)cs1)[C@@H](C)CS(C)(=O)=O ZINC000093391324 147050027 /nfs/dbraw/zinc/05/00/27/147050027.db2.gz MXJMAIBUMKCOCD-JTQLQIEISA-N 1 2 286.422 1.875 20 30 CDEDLO CC[N@@H+](Cc1cc(C#N)cs1)[C@@H](C)CS(C)(=O)=O ZINC000093391324 147050031 /nfs/dbraw/zinc/05/00/31/147050031.db2.gz MXJMAIBUMKCOCD-JTQLQIEISA-N 1 2 286.422 1.875 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000449870903 362778333 /nfs/dbraw/zinc/77/83/33/362778333.db2.gz NJIRWTPEPQCRSF-LBPRGKRZSA-N 1 2 252.358 1.178 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000449870903 362778337 /nfs/dbraw/zinc/77/83/37/362778337.db2.gz NJIRWTPEPQCRSF-LBPRGKRZSA-N 1 2 252.358 1.178 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000451756152 347508527 /nfs/dbraw/zinc/50/85/27/347508527.db2.gz GJBIJYWDMPEARQ-HXUWFJFHSA-N 1 2 298.452 1.420 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000451756152 347508530 /nfs/dbraw/zinc/50/85/30/347508530.db2.gz GJBIJYWDMPEARQ-HXUWFJFHSA-N 1 2 298.452 1.420 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000069024486 347570142 /nfs/dbraw/zinc/57/01/42/347570142.db2.gz LRZTYQUSAULTOE-UHFFFAOYSA-N 1 2 286.375 1.405 20 30 CDEDLO C=C[C@H]([NH2+]C[C@@H]1CCCO[C@H]1C(C)C)C(=O)OC ZINC000619702133 347893508 /nfs/dbraw/zinc/89/35/08/347893508.db2.gz GWXRZAJUPUIJEZ-AVGNSLFASA-N 1 2 255.358 1.755 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000614374951 348094185 /nfs/dbraw/zinc/09/41/85/348094185.db2.gz JPLLUGJTPJZEDP-BHPKHCPMSA-N 1 2 289.379 1.621 20 30 CDEDLO C=C[C@H](O)C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000614545843 348140139 /nfs/dbraw/zinc/14/01/39/348140139.db2.gz QYPILJOJKQYFBM-HNNXBMFYSA-N 1 2 285.347 1.843 20 30 CDEDLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000614592786 348167631 /nfs/dbraw/zinc/16/76/31/348167631.db2.gz WIWNXSFRJOAZBR-CQSZACIVSA-N 1 2 259.309 1.481 20 30 CDEDLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000614592786 348167634 /nfs/dbraw/zinc/16/76/34/348167634.db2.gz WIWNXSFRJOAZBR-CQSZACIVSA-N 1 2 259.309 1.481 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1c(F)cccc1[N+](=O)[O-] ZINC000414125523 362921061 /nfs/dbraw/zinc/92/10/61/362921061.db2.gz MXEYDUPLXBMLBH-SNVBAGLBSA-N 1 2 297.286 1.319 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1c(F)cccc1[N+](=O)[O-] ZINC000414125523 362921068 /nfs/dbraw/zinc/92/10/68/362921068.db2.gz MXEYDUPLXBMLBH-SNVBAGLBSA-N 1 2 297.286 1.319 20 30 CDEDLO Cc1cccnc1SC[C@H](O)C[N@H+](C)CCC#N ZINC000414121507 362926080 /nfs/dbraw/zinc/92/60/80/362926080.db2.gz HEQVJWKFFHUUOK-GFCCVEGCSA-N 1 2 265.382 1.689 20 30 CDEDLO Cc1cccnc1SC[C@H](O)C[N@@H+](C)CCC#N ZINC000414121507 362926082 /nfs/dbraw/zinc/92/60/82/362926082.db2.gz HEQVJWKFFHUUOK-GFCCVEGCSA-N 1 2 265.382 1.689 20 30 CDEDLO C=CCNC(=O)C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000014320422 348520410 /nfs/dbraw/zinc/52/04/10/348520410.db2.gz SOZUSWGRCIWGAD-UHFFFAOYSA-N 1 2 286.375 1.884 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1ccco1 ZINC000076571941 348665533 /nfs/dbraw/zinc/66/55/33/348665533.db2.gz BVLUYFKMMFALLL-GFCCVEGCSA-N 1 2 263.341 1.720 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccco1 ZINC000076571941 348665536 /nfs/dbraw/zinc/66/55/36/348665536.db2.gz BVLUYFKMMFALLL-GFCCVEGCSA-N 1 2 263.341 1.720 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000615871756 348921969 /nfs/dbraw/zinc/92/19/69/348921969.db2.gz PHYRZKAREJOBTB-BYNQJWBRSA-N 1 2 275.352 1.373 20 30 CDEDLO CCc1nnc([C@@H](C)[NH2+]Cc2cccc(C#N)n2)[nH]1 ZINC000602578642 350128395 /nfs/dbraw/zinc/12/83/95/350128395.db2.gz OZCKZDYQXUXDST-SECBINFHSA-N 1 2 256.313 1.485 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)C[C@@H](C2CC2)O1 ZINC000602646524 350136272 /nfs/dbraw/zinc/13/62/72/350136272.db2.gz ASWDBDCEIPBNSX-ABAIWWIYSA-N 1 2 257.337 1.953 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)C[C@@H](C2CC2)O1 ZINC000602646524 350136277 /nfs/dbraw/zinc/13/62/77/350136277.db2.gz ASWDBDCEIPBNSX-ABAIWWIYSA-N 1 2 257.337 1.953 20 30 CDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2cccc(C#N)c2)C[C@@H]1C ZINC000110751866 350308455 /nfs/dbraw/zinc/30/84/55/350308455.db2.gz AYZRHAZKWVDZQC-LBPRGKRZSA-N 1 2 293.392 1.273 20 30 CDEDLO CC[N@H+]1CCN(S(=O)(=O)c2cccc(C#N)c2)C[C@@H]1C ZINC000110751866 350308457 /nfs/dbraw/zinc/30/84/57/350308457.db2.gz AYZRHAZKWVDZQC-LBPRGKRZSA-N 1 2 293.392 1.273 20 30 CDEDLO N#Cc1cccc(CNC(=O)CCCn2cc[nH+]c2)c1 ZINC000604455077 350364588 /nfs/dbraw/zinc/36/45/88/350364588.db2.gz VISDNPUEMMMQNU-UHFFFAOYSA-N 1 2 268.320 1.851 20 30 CDEDLO COCC[N@H+](CCC#N)Cc1c[nH]nc1-c1cccnc1 ZINC000093100186 351316167 /nfs/dbraw/zinc/31/61/67/351316167.db2.gz IYQLLNSSDSEEHW-UHFFFAOYSA-N 1 2 285.351 1.834 20 30 CDEDLO COCC[N@@H+](CCC#N)Cc1c[nH]nc1-c1cccnc1 ZINC000093100186 351316170 /nfs/dbraw/zinc/31/61/70/351316170.db2.gz IYQLLNSSDSEEHW-UHFFFAOYSA-N 1 2 285.351 1.834 20 30 CDEDLO C[C@@H](c1nncn1C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000287368553 358470742 /nfs/dbraw/zinc/47/07/42/358470742.db2.gz PZMQGDJSVJAQHQ-NSHDSACASA-N 1 2 255.325 1.880 20 30 CDEDLO C[C@@H](c1nncn1C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000287368553 358470748 /nfs/dbraw/zinc/47/07/48/358470748.db2.gz PZMQGDJSVJAQHQ-NSHDSACASA-N 1 2 255.325 1.880 20 30 CDEDLO C[C@@H](O)C[C@H]1COCC[N@@H+]1CCOc1ccccc1C#N ZINC000157149844 188299787 /nfs/dbraw/zinc/29/97/87/188299787.db2.gz HJEGGTDIVNFVHB-HIFRSBDPSA-N 1 2 290.363 1.409 20 30 CDEDLO C[C@@H](O)C[C@H]1COCC[N@H+]1CCOc1ccccc1C#N ZINC000157149844 188299789 /nfs/dbraw/zinc/29/97/89/188299789.db2.gz HJEGGTDIVNFVHB-HIFRSBDPSA-N 1 2 290.363 1.409 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN(C)[C@H](C(C)C)C1 ZINC000488004015 366090227 /nfs/dbraw/zinc/09/02/27/366090227.db2.gz VPAGQYCRIGFILJ-HOTGVXAUSA-N 1 2 293.455 1.848 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN(C)[C@H](C(C)C)C1 ZINC000488004015 366090232 /nfs/dbraw/zinc/09/02/32/366090232.db2.gz VPAGQYCRIGFILJ-HOTGVXAUSA-N 1 2 293.455 1.848 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1cccnc1 ZINC000493158432 366195298 /nfs/dbraw/zinc/19/52/98/366195298.db2.gz OZNXNGDYMHPJIL-LMVHVUTASA-N 1 2 258.325 1.055 20 30 CDEDLO C#CC[C@@H]([NH2+]Cc1nnnn1C1CC1)c1ccccc1 ZINC000271745121 191304002 /nfs/dbraw/zinc/30/40/02/191304002.db2.gz WJDRBZUJZHNVCI-CQSZACIVSA-N 1 2 267.336 1.862 20 30 CDEDLO CNc1ccc(C#N)cc1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000578082421 356136072 /nfs/dbraw/zinc/13/60/72/356136072.db2.gz PWDRMAAQWGXJRI-LLVKDONJSA-N 1 2 272.352 1.879 20 30 CDEDLO N#Cc1ccc(F)cc1CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000160799311 283152218 /nfs/dbraw/zinc/15/22/18/283152218.db2.gz KIFKITURBORZPB-MRXNPFEDSA-N 1 2 289.354 1.604 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000160799311 283152220 /nfs/dbraw/zinc/15/22/20/283152220.db2.gz KIFKITURBORZPB-MRXNPFEDSA-N 1 2 289.354 1.604 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000160799311 283152221 /nfs/dbraw/zinc/15/22/21/283152221.db2.gz KIFKITURBORZPB-MRXNPFEDSA-N 1 2 289.354 1.604 20 30 CDEDLO C#CCSCCNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000298402530 356853149 /nfs/dbraw/zinc/85/31/49/356853149.db2.gz VVAFCEXZEFNFFJ-JTQLQIEISA-N 1 2 266.370 1.048 20 30 CDEDLO C#CCSCCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000298402530 356853150 /nfs/dbraw/zinc/85/31/50/356853150.db2.gz VVAFCEXZEFNFFJ-JTQLQIEISA-N 1 2 266.370 1.048 20 30 CDEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ncccn1 ZINC000344126961 356910721 /nfs/dbraw/zinc/91/07/21/356910721.db2.gz YFYWIPZGOIAOEH-UHFFFAOYSA-N 1 2 282.347 1.997 20 30 CDEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ncccn1 ZINC000344126961 356910726 /nfs/dbraw/zinc/91/07/26/356910726.db2.gz YFYWIPZGOIAOEH-UHFFFAOYSA-N 1 2 282.347 1.997 20 30 CDEDLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000156559084 356964187 /nfs/dbraw/zinc/96/41/87/356964187.db2.gz HTCQPPDSQYZOAR-KGLIPLIRSA-N 1 2 293.411 1.780 20 30 CDEDLO C[C@@H]1[C@H](C)OCC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000156559084 356964189 /nfs/dbraw/zinc/96/41/89/356964189.db2.gz HTCQPPDSQYZOAR-KGLIPLIRSA-N 1 2 293.411 1.780 20 30 CDEDLO NC(CN1CCOCC1)=[NH+]OCCCc1cccc(F)c1 ZINC000180380590 357267457 /nfs/dbraw/zinc/26/74/57/357267457.db2.gz IOKXADFKFCNZOL-UHFFFAOYSA-N 1 2 295.358 1.379 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(CCC)on2)CC1 ZINC000294469311 199051996 /nfs/dbraw/zinc/05/19/96/199051996.db2.gz HXCPPNWXGMVWMA-UHFFFAOYSA-N 1 2 275.352 1.408 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)[nH]1 ZINC000337671409 358105071 /nfs/dbraw/zinc/10/50/71/358105071.db2.gz WGUGFYDCHINTAH-AWEZNQCLSA-N 1 2 281.319 1.068 20 30 CDEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)o2)C[C@@H]1C ZINC000408116025 358159751 /nfs/dbraw/zinc/15/97/51/358159751.db2.gz SOGRYCJCQMGCIM-WDEREUQCSA-N 1 2 297.380 1.254 20 30 CDEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)o2)C[C@@H]1C ZINC000408116025 358159755 /nfs/dbraw/zinc/15/97/55/358159755.db2.gz SOGRYCJCQMGCIM-WDEREUQCSA-N 1 2 297.380 1.254 20 30 CDEDLO C#CCSCC[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000294766468 199173263 /nfs/dbraw/zinc/17/32/63/199173263.db2.gz MYLQNHNHIVNFPO-CYBMUJFWSA-N 1 2 290.367 1.989 20 30 CDEDLO Cc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148846 358587499 /nfs/dbraw/zinc/58/74/99/358587499.db2.gz DBRNPZULSNANFM-INIZCTEOSA-N 1 2 287.363 1.592 20 30 CDEDLO Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148846 358587500 /nfs/dbraw/zinc/58/75/00/358587500.db2.gz DBRNPZULSNANFM-INIZCTEOSA-N 1 2 287.363 1.592 20 30 CDEDLO C[C@H]1C[NH+]=C(N2CCN(c3cccc(C#N)n3)CC2)S1 ZINC000267214875 359026097 /nfs/dbraw/zinc/02/60/97/359026097.db2.gz MOGPZPSIWFJDDO-NSHDSACASA-N 1 2 287.392 1.567 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1CCC(C)(C)C#N ZINC000346988964 359125167 /nfs/dbraw/zinc/12/51/67/359125167.db2.gz LJVZTGWLVHLZCR-RYUDHWBXSA-N 1 2 268.357 1.579 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1CCC(C)(C)C#N ZINC000346988964 359125172 /nfs/dbraw/zinc/12/51/72/359125172.db2.gz LJVZTGWLVHLZCR-RYUDHWBXSA-N 1 2 268.357 1.579 20 30 CDEDLO C=CCSCCNC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000269662782 359374110 /nfs/dbraw/zinc/37/41/10/359374110.db2.gz GIBSRGWBJWJWHC-NSHDSACASA-N 1 2 274.455 1.459 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N[C@@H](C)Cn1cc[nH+]c1)OCC ZINC000270048569 359388683 /nfs/dbraw/zinc/38/86/83/359388683.db2.gz QPOOBCZDYYSHGU-QWHCGFSZSA-N 1 2 265.357 1.759 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCCCCNc1cccc[nH+]1 ZINC000279513616 359588475 /nfs/dbraw/zinc/58/84/75/359588475.db2.gz UNONSXZRVLYZSP-HNNXBMFYSA-N 1 2 277.368 1.717 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)N(CC)CC)n1 ZINC000279777247 359593795 /nfs/dbraw/zinc/59/37/95/359593795.db2.gz UAFIXFZWHMFRKP-AWEZNQCLSA-N 1 2 290.411 1.595 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)N(CC)CC)n1 ZINC000279777247 359593796 /nfs/dbraw/zinc/59/37/96/359593796.db2.gz UAFIXFZWHMFRKP-AWEZNQCLSA-N 1 2 290.411 1.595 20 30 CDEDLO C#CCn1ccc(CN(CC)Cc2[nH+]ccn2C)n1 ZINC000279779648 359594486 /nfs/dbraw/zinc/59/44/86/359594486.db2.gz UGXQVLZEEWGQPG-UHFFFAOYSA-N 1 2 257.341 1.272 20 30 CDEDLO COc1cc(C[NH+]2CCN(C(C)=O)CC2)ccc1C#N ZINC000234981265 359667321 /nfs/dbraw/zinc/66/73/21/359667321.db2.gz QXEVVTRYGKFVSA-UHFFFAOYSA-N 1 2 273.336 1.231 20 30 CDEDLO C#C[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C(C)C ZINC000297883454 200298868 /nfs/dbraw/zinc/29/88/68/200298868.db2.gz GXSGEJZKTWHZGM-STQMWFEESA-N 1 2 274.368 1.957 20 30 CDEDLO CC[C@]1(C)C[N@H+](CC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000135738421 359986048 /nfs/dbraw/zinc/98/60/48/359986048.db2.gz KHCSJKCNZPZGSA-MRXNPFEDSA-N 1 2 287.363 1.998 20 30 CDEDLO CC[C@]1(C)C[N@@H+](CC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000135738421 359986053 /nfs/dbraw/zinc/98/60/53/359986053.db2.gz KHCSJKCNZPZGSA-MRXNPFEDSA-N 1 2 287.363 1.998 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)C1=O ZINC000337159095 360013718 /nfs/dbraw/zinc/01/37/18/360013718.db2.gz RJXMJLCXRGAWKZ-STQMWFEESA-N 1 2 294.395 1.579 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)C1=O ZINC000337159095 360013721 /nfs/dbraw/zinc/01/37/21/360013721.db2.gz RJXMJLCXRGAWKZ-STQMWFEESA-N 1 2 294.395 1.579 20 30 CDEDLO C=CCOCC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000337305669 360068485 /nfs/dbraw/zinc/06/84/85/360068485.db2.gz UELZJRZDNSGCOP-LBPRGKRZSA-N 1 2 263.341 1.388 20 30 CDEDLO C=CCOc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2C(=O)OC)cc1 ZINC000093441220 360298205 /nfs/dbraw/zinc/29/82/05/360298205.db2.gz SDAJHMUKVCVDAG-ZFWWWQNUSA-N 1 2 291.347 1.360 20 30 CDEDLO C=CCOc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C(=O)OC)cc1 ZINC000093441220 360298208 /nfs/dbraw/zinc/29/82/08/360298208.db2.gz SDAJHMUKVCVDAG-ZFWWWQNUSA-N 1 2 291.347 1.360 20 30 CDEDLO Cc1cccc(C2=CC[N@H+](CC(=O)NCC#N)CC2)c1 ZINC000092821990 360286748 /nfs/dbraw/zinc/28/67/48/360286748.db2.gz NBFSOGFEPNXDTM-UHFFFAOYSA-N 1 2 269.348 1.724 20 30 CDEDLO Cc1cccc(C2=CC[N@@H+](CC(=O)NCC#N)CC2)c1 ZINC000092821990 360286751 /nfs/dbraw/zinc/28/67/51/360286751.db2.gz NBFSOGFEPNXDTM-UHFFFAOYSA-N 1 2 269.348 1.724 20 30 CDEDLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)CC1(C#N)CCCCC1 ZINC000355849414 360386613 /nfs/dbraw/zinc/38/66/13/360386613.db2.gz YGRSHYWLPXSMRY-CYBMUJFWSA-N 1 2 299.440 1.426 20 30 CDEDLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)CC1(C#N)CCCCC1 ZINC000355849414 360386617 /nfs/dbraw/zinc/38/66/17/360386617.db2.gz YGRSHYWLPXSMRY-CYBMUJFWSA-N 1 2 299.440 1.426 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000130433022 360396443 /nfs/dbraw/zinc/39/64/43/360396443.db2.gz LNFYZPJXUQATRL-ZDUSSCGKSA-N 1 2 273.336 1.407 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@H]1C(N)=O ZINC000130433022 360396445 /nfs/dbraw/zinc/39/64/45/360396445.db2.gz LNFYZPJXUQATRL-ZDUSSCGKSA-N 1 2 273.336 1.407 20 30 CDEDLO COc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc1F ZINC000516297542 360591630 /nfs/dbraw/zinc/59/16/30/360591630.db2.gz FQWFMSDXYWWIHX-AWEZNQCLSA-N 1 2 279.315 1.408 20 30 CDEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+](CCC#N)CCC(C)C ZINC000157151629 360759524 /nfs/dbraw/zinc/75/95/24/360759524.db2.gz MCIAMSMPWNHLBY-LBPRGKRZSA-N 1 2 282.388 1.482 20 30 CDEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+](CCC#N)CCC(C)C ZINC000157151629 360759527 /nfs/dbraw/zinc/75/95/27/360759527.db2.gz MCIAMSMPWNHLBY-LBPRGKRZSA-N 1 2 282.388 1.482 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000458169419 360934365 /nfs/dbraw/zinc/93/43/65/360934365.db2.gz HJRIPVRZDWQKCF-UHFFFAOYSA-N 1 2 296.415 1.288 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000458169419 360934371 /nfs/dbraw/zinc/93/43/71/360934371.db2.gz HJRIPVRZDWQKCF-UHFFFAOYSA-N 1 2 296.415 1.288 20 30 CDEDLO CC[C@@H](C(=O)N[C@]1(C#N)CC1(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000427895943 361102376 /nfs/dbraw/zinc/10/23/76/361102376.db2.gz ODZKJGCVQLWMKK-WWGRRREGSA-N 1 2 293.411 1.684 20 30 CDEDLO CC[C@@H](C(=O)N[C@]1(C#N)CC1(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000427895943 361102379 /nfs/dbraw/zinc/10/23/79/361102379.db2.gz ODZKJGCVQLWMKK-WWGRRREGSA-N 1 2 293.411 1.684 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)Cc1cnc(N2CCOCC2)s1 ZINC000132266971 361213832 /nfs/dbraw/zinc/21/38/32/361213832.db2.gz YZOBTUCKKWHNHR-NSHDSACASA-N 1 2 280.397 1.714 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cnc(N2CCOCC2)s1 ZINC000132266971 361213839 /nfs/dbraw/zinc/21/38/39/361213839.db2.gz YZOBTUCKKWHNHR-NSHDSACASA-N 1 2 280.397 1.714 20 30 CDEDLO COc1ccc(C[NH2+]CC2(C#N)CC2)cc1[N+](=O)[O-] ZINC000562384230 361364016 /nfs/dbraw/zinc/36/40/16/361364016.db2.gz IHIASAQCRMNEFM-UHFFFAOYSA-N 1 2 261.281 1.997 20 30 CDEDLO CC1(C)CC[N@H+](Cc2ccc(C#N)cn2)CC[S@]1=O ZINC000568529321 294055322 /nfs/dbraw/zinc/05/53/22/294055322.db2.gz LBSROBJCWPPSRG-LJQANCHMSA-N 1 2 277.393 1.686 20 30 CDEDLO CC1(C)CC[N@@H+](Cc2ccc(C#N)cn2)CC[S@]1=O ZINC000568529321 294055324 /nfs/dbraw/zinc/05/53/24/294055324.db2.gz LBSROBJCWPPSRG-LJQANCHMSA-N 1 2 277.393 1.686 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cccc3c2OCO3)C1 ZINC000329347021 361485591 /nfs/dbraw/zinc/48/55/91/361485591.db2.gz VJXRNLJHCNXLHQ-JTQLQIEISA-N 1 2 293.323 1.072 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNC(=O)Nc2cccc3c2OCO3)C1 ZINC000329347021 361485596 /nfs/dbraw/zinc/48/55/96/361485596.db2.gz VJXRNLJHCNXLHQ-JTQLQIEISA-N 1 2 293.323 1.072 20 30 CDEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CCCCS2)CC1 ZINC000329355781 361488156 /nfs/dbraw/zinc/48/81/56/361488156.db2.gz ZDDFFINOYMJFGG-CYBMUJFWSA-N 1 2 299.440 1.393 20 30 CDEDLO C[C@H]([NH+]=C([O-])N1CCn2c[nH+]cc2C1)[C@@H]1CCOC1 ZINC000329661717 361672853 /nfs/dbraw/zinc/67/28/53/361672853.db2.gz OOSMQGPIXAWUQB-WDEREUQCSA-N 1 2 264.329 1.038 20 30 CDEDLO C[C@H](NC(=O)N1CCn2c[nH+]cc2C1)[C@@H]1CCOC1 ZINC000329661717 361672855 /nfs/dbraw/zinc/67/28/55/361672855.db2.gz OOSMQGPIXAWUQB-WDEREUQCSA-N 1 2 264.329 1.038 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCc3ccsc3C2)CCC1 ZINC000526303655 363938684 /nfs/dbraw/zinc/93/86/84/363938684.db2.gz DNCVZDQHJGEFGW-UHFFFAOYSA-N 1 2 275.377 1.669 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCc3ccsc3C2)CCC1 ZINC000526303655 363938692 /nfs/dbraw/zinc/93/86/92/363938692.db2.gz DNCVZDQHJGEFGW-UHFFFAOYSA-N 1 2 275.377 1.669 20 30 CDEDLO C=CCNc1ncc(C(=O)N[C@@H](CC)c2[nH]cc[nH+]2)s1 ZINC000444780603 364130450 /nfs/dbraw/zinc/13/04/50/364130450.db2.gz GDGNLFDNNCQONB-VIFPVBQESA-N 1 2 291.380 1.767 20 30 CDEDLO C=CC[N@@H+](C)CN1CCN(C(=O)OC(C)(C)C)C1=O ZINC000496527130 366840338 /nfs/dbraw/zinc/84/03/38/366840338.db2.gz FFSUHEINSTUQIX-UHFFFAOYSA-N 1 2 269.345 1.734 20 30 CDEDLO C=CC[N@H+](C)CN1CCN(C(=O)OC(C)(C)C)C1=O ZINC000496527130 366840341 /nfs/dbraw/zinc/84/03/41/366840341.db2.gz FFSUHEINSTUQIX-UHFFFAOYSA-N 1 2 269.345 1.734 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@H]1C ZINC000639689249 364410137 /nfs/dbraw/zinc/41/01/37/364410137.db2.gz YJQBKUZCTLHMEB-BFHYXJOUSA-N 1 2 295.427 1.351 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@H]1C ZINC000639689249 364410141 /nfs/dbraw/zinc/41/01/41/364410141.db2.gz YJQBKUZCTLHMEB-BFHYXJOUSA-N 1 2 295.427 1.351 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(C)c(F)c2)nn1 ZINC000641036222 364867953 /nfs/dbraw/zinc/86/79/53/364867953.db2.gz LJEAXBSUGHLXJJ-UHFFFAOYSA-N 1 2 272.327 1.887 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@@H](C(N)=O)C1 ZINC000249557511 364874422 /nfs/dbraw/zinc/87/44/22/364874422.db2.gz KIODBBGCAGMSMJ-IINYFYTJSA-N 1 2 275.327 1.783 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H](C(N)=O)C1 ZINC000249557511 364874427 /nfs/dbraw/zinc/87/44/27/364874427.db2.gz KIODBBGCAGMSMJ-IINYFYTJSA-N 1 2 275.327 1.783 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccn(C(C)C)n2)nn1 ZINC000641041152 364876932 /nfs/dbraw/zinc/87/69/32/364876932.db2.gz AAEYKLHMWBPDNS-UHFFFAOYSA-N 1 2 272.356 1.217 20 30 CDEDLO C[C@H]1CCN(C(=O)c2ccnc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000193529103 189644982 /nfs/dbraw/zinc/64/49/82/189644982.db2.gz NMTVVMBYNIOASM-WFASDCNBSA-N 1 2 295.346 1.873 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(CC(=O)N(C)C)n1 ZINC000491372855 365201554 /nfs/dbraw/zinc/20/15/54/365201554.db2.gz LBNGPFSUYKGUSS-SNVBAGLBSA-N 1 2 265.382 1.227 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(CC(=O)N(C)C)n1 ZINC000491372855 365201557 /nfs/dbraw/zinc/20/15/57/365201557.db2.gz LBNGPFSUYKGUSS-SNVBAGLBSA-N 1 2 265.382 1.227 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1nnc(CC(C)C)s1 ZINC000516580666 366893087 /nfs/dbraw/zinc/89/30/87/366893087.db2.gz NXYOBZABCYZMIH-JTQLQIEISA-N 1 2 295.412 1.957 20 30 CDEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cnc(N)nc1N ZINC000637961785 367293052 /nfs/dbraw/zinc/29/30/52/367293052.db2.gz ZUFCDTNQCBBQIX-UHFFFAOYSA-N 1 2 299.378 1.499 20 30 CDEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cnc(N)nc1N ZINC000637961785 367293055 /nfs/dbraw/zinc/29/30/55/367293055.db2.gz ZUFCDTNQCBBQIX-UHFFFAOYSA-N 1 2 299.378 1.499 20 30 CDEDLO CCOC(=O)[C@@H]1CSCC[N@@H+]1CCC(C)(C)C#N ZINC000540665928 368550492 /nfs/dbraw/zinc/55/04/92/368550492.db2.gz WWCIBYMXJPHDQF-NSHDSACASA-N 1 2 270.398 1.907 20 30 CDEDLO CCOC(=O)[C@@H]1CSCC[N@H+]1CCC(C)(C)C#N ZINC000540665928 368550496 /nfs/dbraw/zinc/55/04/96/368550496.db2.gz WWCIBYMXJPHDQF-NSHDSACASA-N 1 2 270.398 1.907 20 30 CDEDLO CC#CCCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000361530770 368877886 /nfs/dbraw/zinc/87/78/86/368877886.db2.gz LHRQHPPVAQRDHJ-ZDUSSCGKSA-N 1 2 272.352 1.373 20 30 CDEDLO N#Cc1cncc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000420593882 244270474 /nfs/dbraw/zinc/27/04/74/244270474.db2.gz CFKDCSCKPGKDIU-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO C#CCN(CC#C)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000075392314 369410107 /nfs/dbraw/zinc/41/01/07/369410107.db2.gz MJOHOCMWFJZMNC-JXMROGBWSA-N 1 2 289.338 1.981 20 30 CDEDLO Cc1nnc(CCNc2cc(C)[nH+]cc2C#N)s1 ZINC000399605515 369737535 /nfs/dbraw/zinc/73/75/35/369737535.db2.gz WNOVWERHGMKMDK-UHFFFAOYSA-N 1 2 259.338 1.498 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000565373540 370434262 /nfs/dbraw/zinc/43/42/62/370434262.db2.gz HCNDUTDYSJJSLV-MNOVXSKESA-N 1 2 260.328 1.950 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000568181270 371206726 /nfs/dbraw/zinc/20/67/26/371206726.db2.gz OTNDNGJGAUFYPJ-GFCCVEGCSA-N 1 2 289.335 1.694 20 30 CDEDLO C=CCC[C@@H]([NH2+]Cc1nc(N)nc(N)n1)c1ccccc1 ZINC000180041596 372333929 /nfs/dbraw/zinc/33/39/29/372333929.db2.gz GIXCCWWWCSEZAN-GFCCVEGCSA-N 1 2 284.367 1.833 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](CO)C2)c(C#N)c1C ZINC000050107464 372363404 /nfs/dbraw/zinc/36/34/04/372363404.db2.gz SOWCGMWVMYKCJZ-GFCCVEGCSA-N 1 2 291.351 1.411 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](CO)C2)c(C#N)c1C ZINC000050107464 372363406 /nfs/dbraw/zinc/36/34/06/372363406.db2.gz SOWCGMWVMYKCJZ-GFCCVEGCSA-N 1 2 291.351 1.411 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@@H]1CC=C(C)CC1)C(=O)OC ZINC000578747542 372544979 /nfs/dbraw/zinc/54/49/79/372544979.db2.gz FNERDLAIBFZJCA-CHWSQXEVSA-N 1 2 253.342 1.819 20 30 CDEDLO COC[C@](C)([NH2+]CCCC(C)(C)C#N)C(=O)OC ZINC000182594554 372608862 /nfs/dbraw/zinc/60/88/62/372608862.db2.gz MCFCEZMYRGHDQZ-ZDUSSCGKSA-N 1 2 256.346 1.484 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)C#Cc1ccccc1 ZINC000176215585 372720070 /nfs/dbraw/zinc/72/00/70/372720070.db2.gz RNAUXEHZAVJJDZ-UHFFFAOYSA-N 1 2 286.375 1.265 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)C#Cc1ccccc1 ZINC000176215585 372720077 /nfs/dbraw/zinc/72/00/77/372720077.db2.gz RNAUXEHZAVJJDZ-UHFFFAOYSA-N 1 2 286.375 1.265 20 30 CDEDLO Cc1cccc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000581642801 373142581 /nfs/dbraw/zinc/14/25/81/373142581.db2.gz KPKFUDVKFOAXTL-HNNXBMFYSA-N 1 2 259.353 1.498 20 30 CDEDLO C=CC[N@@H+](CCOC)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000191145409 373458330 /nfs/dbraw/zinc/45/83/30/373458330.db2.gz FPBQOQFOKKLGBP-ZDUSSCGKSA-N 1 2 287.367 1.858 20 30 CDEDLO C=CC[N@H+](CCOC)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000191145409 373458337 /nfs/dbraw/zinc/45/83/37/373458337.db2.gz FPBQOQFOKKLGBP-ZDUSSCGKSA-N 1 2 287.367 1.858 20 30 CDEDLO C=CCOc1cccnc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000341421203 373680974 /nfs/dbraw/zinc/68/09/74/373680974.db2.gz PIQFQLJUQXHEHX-LBPRGKRZSA-N 1 2 286.335 1.661 20 30 CDEDLO CCOC(=O)[C@@H]1CSCC[N@@H+]1CCCSCC#N ZINC000610409708 373735169 /nfs/dbraw/zinc/73/51/69/373735169.db2.gz VVNQOQUYRAVRKV-NSHDSACASA-N 1 2 288.438 1.614 20 30 CDEDLO CCOC(=O)[C@@H]1CSCC[N@H+]1CCCSCC#N ZINC000610409708 373735176 /nfs/dbraw/zinc/73/51/76/373735176.db2.gz VVNQOQUYRAVRKV-NSHDSACASA-N 1 2 288.438 1.614 20 30 CDEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1Cc1nc(C#N)cs1 ZINC000356258781 373834476 /nfs/dbraw/zinc/83/44/76/373834476.db2.gz MJKAMNXHDICMJI-DGCLKSJQSA-N 1 2 292.408 1.310 20 30 CDEDLO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000356258781 373834486 /nfs/dbraw/zinc/83/44/86/373834486.db2.gz MJKAMNXHDICMJI-DGCLKSJQSA-N 1 2 292.408 1.310 20 30 CDEDLO C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000356258781 373834492 /nfs/dbraw/zinc/83/44/92/373834492.db2.gz MJKAMNXHDICMJI-DGCLKSJQSA-N 1 2 292.408 1.310 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)[C@H](C)CO1 ZINC000298473399 373849817 /nfs/dbraw/zinc/84/98/17/373849817.db2.gz QWAWPIHLMCMCNF-CHWSQXEVSA-N 1 2 287.363 1.284 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)[C@H](C)CO1 ZINC000298473399 373849824 /nfs/dbraw/zinc/84/98/24/373849824.db2.gz QWAWPIHLMCMCNF-CHWSQXEVSA-N 1 2 287.363 1.284 20 30 CDEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccsc2)C(N)=O)cc1 ZINC000360068307 373998337 /nfs/dbraw/zinc/99/83/37/373998337.db2.gz HEQPVMPQYRANFV-ZDUSSCGKSA-N 1 2 271.345 1.936 20 30 CDEDLO N#Cc1ccccc1C[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000273650236 373977944 /nfs/dbraw/zinc/97/79/44/373977944.db2.gz GRRHUFZBPZPZSM-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000660144003 412816932 /nfs/dbraw/zinc/81/69/32/412816932.db2.gz LNPZERIRQPJRAV-GFCCVEGCSA-N 1 2 264.373 1.655 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cscc2C#N)CCO1 ZINC000351601506 374262810 /nfs/dbraw/zinc/26/28/10/374262810.db2.gz HVXYLJUHDZFIAR-GFCCVEGCSA-N 1 2 293.392 1.460 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cscc2C#N)CCO1 ZINC000351601506 374262815 /nfs/dbraw/zinc/26/28/15/374262815.db2.gz HVXYLJUHDZFIAR-GFCCVEGCSA-N 1 2 293.392 1.460 20 30 CDEDLO N#Cc1ccc(CNC(=O)NCCCn2cc[nH+]c2)s1 ZINC000421814380 374334087 /nfs/dbraw/zinc/33/40/87/374334087.db2.gz QJGUSURIMJEEGS-UHFFFAOYSA-N 1 2 289.364 1.706 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)Nc1cccc(C#N)c1 ZINC000334145978 206073804 /nfs/dbraw/zinc/07/38/04/206073804.db2.gz BGYGFVJUJFJOFH-UHFFFAOYSA-N 1 2 255.281 1.613 20 30 CDEDLO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCOC1 ZINC000332221432 375016779 /nfs/dbraw/zinc/01/67/79/375016779.db2.gz YHPYBFXOYGUJOG-CYBMUJFWSA-N 1 2 284.319 1.829 20 30 CDEDLO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCOC1 ZINC000332221432 375016783 /nfs/dbraw/zinc/01/67/83/375016783.db2.gz YHPYBFXOYGUJOG-CYBMUJFWSA-N 1 2 284.319 1.829 20 30 CDEDLO CS(=O)(=O)CC[N@H+](Cc1ccc(F)c(C#N)c1)C1CC1 ZINC000156521250 375063615 /nfs/dbraw/zinc/06/36/15/375063615.db2.gz BVHAJQLBKJUPON-UHFFFAOYSA-N 1 2 296.367 1.706 20 30 CDEDLO CS(=O)(=O)CC[N@@H+](Cc1ccc(F)c(C#N)c1)C1CC1 ZINC000156521250 375063623 /nfs/dbraw/zinc/06/36/23/375063623.db2.gz BVHAJQLBKJUPON-UHFFFAOYSA-N 1 2 296.367 1.706 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(C#N)cc1 ZINC000047028586 375176513 /nfs/dbraw/zinc/17/65/13/375176513.db2.gz ZGCLITCJWNZYJB-NSHDSACASA-N 1 2 269.308 1.965 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000129605442 375216564 /nfs/dbraw/zinc/21/65/64/375216564.db2.gz RDKAWVQNSIJBNA-NSHDSACASA-N 1 2 278.356 1.085 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000129605442 375216574 /nfs/dbraw/zinc/21/65/74/375216574.db2.gz RDKAWVQNSIJBNA-NSHDSACASA-N 1 2 278.356 1.085 20 30 CDEDLO Cc1cc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)c(C#N)c[nH+]1 ZINC000496324763 375737333 /nfs/dbraw/zinc/73/73/33/375737333.db2.gz KPVCGOGEHKJIIB-NEPJUHHUSA-N 1 2 272.308 1.196 20 30 CDEDLO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)NCC1CC1 ZINC000328691953 375930890 /nfs/dbraw/zinc/93/08/90/375930890.db2.gz CASKWGQJLTYGNB-GHMZBOCLSA-N 1 2 251.330 1.404 20 30 CDEDLO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)NCC1CC1 ZINC000328691953 375930897 /nfs/dbraw/zinc/93/08/97/375930897.db2.gz CASKWGQJLTYGNB-GHMZBOCLSA-N 1 2 251.330 1.404 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328756042 375946050 /nfs/dbraw/zinc/94/60/50/375946050.db2.gz TXMYQNFMPKEELN-SNVBAGLBSA-N 1 2 291.355 1.465 20 30 CDEDLO CC(C)n1cnnc1CNC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000328894523 376003955 /nfs/dbraw/zinc/00/39/55/376003955.db2.gz AVBQDXNFUNDZLL-NSHDSACASA-N 1 2 297.428 1.753 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(C#N)cc1 ZINC000345387063 376016333 /nfs/dbraw/zinc/01/63/33/376016333.db2.gz NEHXZHCLLCLZJR-CYBMUJFWSA-N 1 2 287.363 1.351 20 30 CDEDLO COCC1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000328905470 376021126 /nfs/dbraw/zinc/02/11/26/376021126.db2.gz KANXAPLNQOXQJK-NSHDSACASA-N 1 2 263.341 1.971 20 30 CDEDLO C[C@@H](Nc1ncccc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000264316572 190103112 /nfs/dbraw/zinc/10/31/12/190103112.db2.gz UKNDTFPVOAQMQB-NEPJUHHUSA-N 1 2 260.341 1.474 20 30 CDEDLO C=CC[N@H+](CCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000066560739 376666106 /nfs/dbraw/zinc/66/61/06/376666106.db2.gz BJYNFNMJKMXZRS-AWEZNQCLSA-N 1 2 295.404 1.741 20 30 CDEDLO C=CC[N@@H+](CCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000066560739 376666115 /nfs/dbraw/zinc/66/61/15/376666115.db2.gz BJYNFNMJKMXZRS-AWEZNQCLSA-N 1 2 295.404 1.741 20 30 CDEDLO CSC[C@@H](C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000066833581 376678842 /nfs/dbraw/zinc/67/88/42/376678842.db2.gz ZFNOXTQMTNQTTG-CYBMUJFWSA-N 1 2 299.440 1.060 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000160408507 377060208 /nfs/dbraw/zinc/06/02/08/377060208.db2.gz DYJFOXIKRXJZPO-UHFFFAOYSA-N 1 2 278.302 1.746 20 30 CDEDLO C=CCNC(=O)C[N@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000247703885 377167157 /nfs/dbraw/zinc/16/71/57/377167157.db2.gz YKWUFRKJSOLJEK-UKRRQHHQSA-N 1 2 274.364 1.751 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000247703885 377167163 /nfs/dbraw/zinc/16/71/63/377167163.db2.gz YKWUFRKJSOLJEK-UKRRQHHQSA-N 1 2 274.364 1.751 20 30 CDEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(C#N)CC2)c1 ZINC000057907523 377862465 /nfs/dbraw/zinc/86/24/65/377862465.db2.gz YNPNSNUHWAJCQG-UHFFFAOYSA-N 1 2 268.320 1.732 20 30 CDEDLO C=C(Br)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000283984934 378131911 /nfs/dbraw/zinc/13/19/11/378131911.db2.gz JBVUHSWVGHDPCM-MRVPVSSYSA-N 1 2 288.145 1.451 20 30 CDEDLO C=C(Br)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000283984934 378131913 /nfs/dbraw/zinc/13/19/13/378131913.db2.gz JBVUHSWVGHDPCM-MRVPVSSYSA-N 1 2 288.145 1.451 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000293258917 378550679 /nfs/dbraw/zinc/55/06/79/378550679.db2.gz UIZLVHOPMQIFTI-UHFFFAOYSA-N 1 2 252.264 1.858 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000293258917 378550683 /nfs/dbraw/zinc/55/06/83/378550683.db2.gz UIZLVHOPMQIFTI-UHFFFAOYSA-N 1 2 252.264 1.858 20 30 CDEDLO COc1ccc(OC)c2c1C[N@H+](CCCC#N)C[C@H]2O ZINC000053145978 378772708 /nfs/dbraw/zinc/77/27/08/378772708.db2.gz URSYJKMSOKPCSN-GFCCVEGCSA-N 1 2 276.336 1.857 20 30 CDEDLO COc1ccc(OC)c2c1C[N@@H+](CCCC#N)C[C@H]2O ZINC000053145978 378772710 /nfs/dbraw/zinc/77/27/10/378772710.db2.gz URSYJKMSOKPCSN-GFCCVEGCSA-N 1 2 276.336 1.857 20 30 CDEDLO Cn1cc(C[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)cc1C#N ZINC000278656802 194087682 /nfs/dbraw/zinc/08/76/82/194087682.db2.gz JZFJCGIBGFWERN-CQSZACIVSA-N 1 2 295.408 1.296 20 30 CDEDLO Cn1cc(C[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)cc1C#N ZINC000278656802 194087684 /nfs/dbraw/zinc/08/76/84/194087684.db2.gz JZFJCGIBGFWERN-CQSZACIVSA-N 1 2 295.408 1.296 20 30 CDEDLO C[C@@H](C#N)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000344099848 379096119 /nfs/dbraw/zinc/09/61/19/379096119.db2.gz YXSCXCXPLACREQ-LBPRGKRZSA-N 1 2 273.336 1.617 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000278836079 194176089 /nfs/dbraw/zinc/17/60/89/194176089.db2.gz QZVRWHGAYUVUHF-UKRRQHHQSA-N 1 2 289.379 1.745 20 30 CDEDLO Cc1ccc(C#N)cc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000174370069 379462546 /nfs/dbraw/zinc/46/25/46/379462546.db2.gz FWTSFXOUOUEORY-ZDUSSCGKSA-N 1 2 259.309 1.136 20 30 CDEDLO Cc1ccc(C#N)cc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000174370069 379462555 /nfs/dbraw/zinc/46/25/55/379462555.db2.gz FWTSFXOUOUEORY-ZDUSSCGKSA-N 1 2 259.309 1.136 20 30 CDEDLO C[N@H+](CC(=O)N1CCCC1)Cc1ccccc1C#N ZINC000042314823 379564115 /nfs/dbraw/zinc/56/41/15/379564115.db2.gz ANONSOHCDVPOSX-UHFFFAOYSA-N 1 2 257.337 1.612 20 30 CDEDLO C[N@@H+](CC(=O)N1CCCC1)Cc1ccccc1C#N ZINC000042314823 379564124 /nfs/dbraw/zinc/56/41/24/379564124.db2.gz ANONSOHCDVPOSX-UHFFFAOYSA-N 1 2 257.337 1.612 20 30 CDEDLO C=CCN1CC[C@H]([NH2+][C@@H](C)c2nnc(C)s2)C1=O ZINC000280988644 195059186 /nfs/dbraw/zinc/05/91/86/195059186.db2.gz IXFQTQYBHKDCME-WPRPVWTQSA-N 1 2 266.370 1.284 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)/C=C\c1ccc(C#N)cc1 ZINC000492875623 253315457 /nfs/dbraw/zinc/31/54/57/253315457.db2.gz YNZQJAKMMTXNDS-AFNCTOJWSA-N 1 2 299.374 1.408 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)/C=C\c1ccc(C#N)cc1 ZINC000492875623 253315458 /nfs/dbraw/zinc/31/54/58/253315458.db2.gz YNZQJAKMMTXNDS-AFNCTOJWSA-N 1 2 299.374 1.408 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)OC)o2)C1=O ZINC000281311153 195192165 /nfs/dbraw/zinc/19/21/65/195192165.db2.gz QMHJMZZGBWWHOQ-LBPRGKRZSA-N 1 2 292.335 1.285 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(C(=O)OC)o2)C1=O ZINC000281311153 195192168 /nfs/dbraw/zinc/19/21/68/195192168.db2.gz QMHJMZZGBWWHOQ-LBPRGKRZSA-N 1 2 292.335 1.285 20 30 CDEDLO C[C@]1(F)CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000334327758 390564571 /nfs/dbraw/zinc/56/45/71/390564571.db2.gz HOWUNTPXLLFPBL-AWEZNQCLSA-N 1 2 261.300 1.931 20 30 CDEDLO C[C@]1(F)CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000334327758 390564574 /nfs/dbraw/zinc/56/45/74/390564574.db2.gz HOWUNTPXLLFPBL-AWEZNQCLSA-N 1 2 261.300 1.931 20 30 CDEDLO CC#CCCN1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000368149786 390865511 /nfs/dbraw/zinc/86/55/11/390865511.db2.gz UYKYEBJRUVMFGC-MRXNPFEDSA-N 1 2 296.374 1.529 20 30 CDEDLO Cc1ccc2[nH+]cc(CN3CCO[C@H](C#N)C3)n2c1 ZINC000093136873 390900397 /nfs/dbraw/zinc/90/03/97/390900397.db2.gz LTWSVHOHYMUZRN-CYBMUJFWSA-N 1 2 256.309 1.367 20 30 CDEDLO Cc1cc(CO[NH+]=C(N)Cc2csc(C)n2)no1 ZINC000123370137 390910134 /nfs/dbraw/zinc/91/01/34/390910134.db2.gz UKZFTXYDMMMPTJ-UHFFFAOYSA-N 1 2 266.326 1.779 20 30 CDEDLO C=CCNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000151147426 390918090 /nfs/dbraw/zinc/91/80/90/390918090.db2.gz GACIOQWTHHNALO-LBPRGKRZSA-N 1 2 262.357 1.570 20 30 CDEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H](C(N)=O)O1 ZINC000156951188 390924065 /nfs/dbraw/zinc/92/40/65/390924065.db2.gz XIRDCFJVGUCPAM-RISCZKNCSA-N 1 2 292.766 1.266 20 30 CDEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H](C(N)=O)O1 ZINC000156951188 390924066 /nfs/dbraw/zinc/92/40/66/390924066.db2.gz XIRDCFJVGUCPAM-RISCZKNCSA-N 1 2 292.766 1.266 20 30 CDEDLO CN(C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCCC[C@H]1O ZINC000329602926 391026700 /nfs/dbraw/zinc/02/67/00/391026700.db2.gz GBDYBLHLHLJAMG-LERXQTSPSA-N 1 2 292.383 1.416 20 30 CDEDLO CN(C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCCC[C@H]1O ZINC000329602926 391026706 /nfs/dbraw/zinc/02/67/06/391026706.db2.gz GBDYBLHLHLJAMG-LERXQTSPSA-N 1 2 292.383 1.416 20 30 CDEDLO O=C(NCc1ccc(=O)[nH]c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329425598 390985912 /nfs/dbraw/zinc/98/59/12/390985912.db2.gz GUOPRTIAROSYLJ-NSHDSACASA-N 1 2 272.308 1.703 20 30 CDEDLO Cc1cn2cc(NC(=O)N3CC(C(C)(C)O)C3)ccc2[nH+]1 ZINC000329449866 390990500 /nfs/dbraw/zinc/99/05/00/390990500.db2.gz MPONTVXPCYLPAH-UHFFFAOYSA-N 1 2 288.351 1.891 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)N[C@H]1CCCOCC1 ZINC000329493346 390997786 /nfs/dbraw/zinc/99/77/86/390997786.db2.gz UGJSHIMWEOGWOA-NSHDSACASA-N 1 2 266.345 1.335 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@]12CCOC2 ZINC000329541812 391009442 /nfs/dbraw/zinc/00/94/42/391009442.db2.gz DQKNWQBNXGFUBS-DYEKYZERSA-N 1 2 268.357 1.090 20 30 CDEDLO C[C@H](CNC(=O)[C@@H]1C[C@@]12CCOC2)[NH+]1CCOCC1 ZINC000329622522 391041310 /nfs/dbraw/zinc/04/13/10/391041310.db2.gz RTJLMUWEXPWSCQ-MBNYWOFBSA-N 1 2 268.357 1.090 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+](C)Cc1nc([C@H](C)OCC)no1 ZINC000351269202 391061241 /nfs/dbraw/zinc/06/12/41/391061241.db2.gz LMEINCZGTYXAHJ-NWDGAFQWSA-N 1 2 283.372 1.926 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+](C)Cc1nc([C@H](C)OCC)no1 ZINC000351269202 391061245 /nfs/dbraw/zinc/06/12/45/391061245.db2.gz LMEINCZGTYXAHJ-NWDGAFQWSA-N 1 2 283.372 1.926 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CC[C@@H](F)C1)N1CCn2c[nH+]cc2C1 ZINC000329648869 391063624 /nfs/dbraw/zinc/06/36/24/391063624.db2.gz JKLIFXTVUBIDHS-NXEZZACHSA-N 1 2 252.293 1.503 20 30 CDEDLO O=C(N[C@@H]1CC[C@@H](F)C1)N1CCn2c[nH+]cc2C1 ZINC000329648869 391063631 /nfs/dbraw/zinc/06/36/31/391063631.db2.gz JKLIFXTVUBIDHS-NXEZZACHSA-N 1 2 252.293 1.503 20 30 CDEDLO C[C@@H](CCC#N)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000351471536 391077899 /nfs/dbraw/zinc/07/78/99/391077899.db2.gz KGKONDHIZRXIFM-GJZGRUSLSA-N 1 2 292.427 1.307 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1C)C(C)(C)C ZINC000491465754 391138628 /nfs/dbraw/zinc/13/86/28/391138628.db2.gz XXUNMMAJPWCUMG-STQMWFEESA-N 1 2 281.400 1.054 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1C)C(C)(C)C ZINC000491465754 391138630 /nfs/dbraw/zinc/13/86/30/391138630.db2.gz XXUNMMAJPWCUMG-STQMWFEESA-N 1 2 281.400 1.054 20 30 CDEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ncc(C#N)cc1C ZINC000574253054 391145201 /nfs/dbraw/zinc/14/52/01/391145201.db2.gz LQHVAHNYTWFEEM-NSHDSACASA-N 1 2 283.335 1.969 20 30 CDEDLO CN(C(=O)C[NH+]1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352458117 391145364 /nfs/dbraw/zinc/14/53/64/391145364.db2.gz GTJIAOXAZJGVTI-UHFFFAOYSA-N 1 2 275.327 1.977 20 30 CDEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)NC1CC1 ZINC000173551718 391109687 /nfs/dbraw/zinc/10/96/87/391109687.db2.gz REXOBYPEAWBABR-UHFFFAOYSA-N 1 2 251.374 1.917 20 30 CDEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)NC1CC1 ZINC000173551718 391109691 /nfs/dbraw/zinc/10/96/91/391109691.db2.gz REXOBYPEAWBABR-UHFFFAOYSA-N 1 2 251.374 1.917 20 30 CDEDLO CC[N@H+](CCC#N)C[C@H](O)COc1ccccc1C ZINC000267043134 391185634 /nfs/dbraw/zinc/18/56/34/391185634.db2.gz DKNVIPNNGBTDNZ-AWEZNQCLSA-N 1 2 262.353 1.970 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1ccccc1C ZINC000267043134 391185637 /nfs/dbraw/zinc/18/56/37/391185637.db2.gz DKNVIPNNGBTDNZ-AWEZNQCLSA-N 1 2 262.353 1.970 20 30 CDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C1(C#N)CCCC1 ZINC000376222038 391218629 /nfs/dbraw/zinc/21/86/29/391218629.db2.gz XFLQPOUIDVLVEE-ZIAGYGMSSA-N 1 2 291.395 1.392 20 30 CDEDLO C#CCCCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376300740 391221404 /nfs/dbraw/zinc/22/14/04/391221404.db2.gz POSCHDHVTCSMIM-GJZGRUSLSA-N 1 2 293.411 1.295 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1ccccn1)C1CC1 ZINC000180855353 391221661 /nfs/dbraw/zinc/22/16/61/391221661.db2.gz JBUSWWPPLQZTBZ-UHFFFAOYSA-N 1 2 286.379 1.808 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccccn1)C1CC1 ZINC000180855353 391221663 /nfs/dbraw/zinc/22/16/63/391221663.db2.gz JBUSWWPPLQZTBZ-UHFFFAOYSA-N 1 2 286.379 1.808 20 30 CDEDLO COCCN1CC[N@H+](Cc2ccc(C#N)cc2C)CC1=O ZINC000186316640 391226778 /nfs/dbraw/zinc/22/67/78/391226778.db2.gz OKDXJPJBMYMHBH-UHFFFAOYSA-N 1 2 287.363 1.157 20 30 CDEDLO COCCN1CC[N@@H+](Cc2ccc(C#N)cc2C)CC1=O ZINC000186316640 391226781 /nfs/dbraw/zinc/22/67/81/391226781.db2.gz OKDXJPJBMYMHBH-UHFFFAOYSA-N 1 2 287.363 1.157 20 30 CDEDLO N#CCCOCC[NH+]1CCN(c2ncccc2Cl)CC1 ZINC000339037538 391245416 /nfs/dbraw/zinc/24/54/16/391245416.db2.gz OJQISSSASWIFDO-UHFFFAOYSA-N 1 2 294.786 1.787 20 30 CDEDLO C=CCOCC[NH2+][C@H](C(=O)OCC)C1CCOCC1 ZINC000339088351 391250324 /nfs/dbraw/zinc/25/03/24/391250324.db2.gz JJWLCXQHOLLCRF-ZDUSSCGKSA-N 1 2 271.357 1.137 20 30 CDEDLO CCC(CC)([NH2+]CCC(=O)N(C)CCC#N)C(=O)OC ZINC000338359854 391196695 /nfs/dbraw/zinc/19/66/95/391196695.db2.gz 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Cc1cccc2[nH+]c(CNC(=O)[C@]3(C#N)C[C@@H]3C)cn21 ZINC000335154180 391333430 /nfs/dbraw/zinc/33/34/30/391333430.db2.gz GZUUUAFOPMKDKL-BONVTDFDSA-N 1 2 268.320 1.809 20 30 CDEDLO Cc1ncc(CO)c(/C=[NH+]/C[C@H]2CCO[C@@H](C)C2)c1O ZINC000271447458 391294323 /nfs/dbraw/zinc/29/43/23/391294323.db2.gz UDVUZXOUXHKKIK-DSNWLKMFSA-N 1 2 278.352 1.822 20 30 CDEDLO COc1ccccc1C[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000346855837 391374943 /nfs/dbraw/zinc/37/49/43/391374943.db2.gz RGBPHTMNHCZLQJ-UHFFFAOYSA-N 1 2 287.363 1.689 20 30 CDEDLO COc1ccccc1C[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000346855837 391374946 /nfs/dbraw/zinc/37/49/46/391374946.db2.gz RGBPHTMNHCZLQJ-UHFFFAOYSA-N 1 2 287.363 1.689 20 30 CDEDLO O=C(CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)N1CCCCC1 ZINC000328920307 391394213 /nfs/dbraw/zinc/39/42/13/391394213.db2.gz LSOREKCBSQVBAS-GFCCVEGCSA-N 1 2 290.367 1.415 20 30 CDEDLO CCNC(=O)N1CC[NH+](Cc2ccnc(OC)c2)CC1 ZINC000330471224 391427348 /nfs/dbraw/zinc/42/73/48/391427348.db2.gz NMUANMYVRXTQEC-UHFFFAOYSA-N 1 2 278.356 1.142 20 30 CDEDLO COc1cccc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)c1 ZINC000330622286 391460848 /nfs/dbraw/zinc/46/08/48/391460848.db2.gz NOLCDJQLTHOAOZ-LBPRGKRZSA-N 1 2 278.352 1.721 20 30 CDEDLO COc1cccc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)c1 ZINC000330622286 391460849 /nfs/dbraw/zinc/46/08/49/391460849.db2.gz NOLCDJQLTHOAOZ-LBPRGKRZSA-N 1 2 278.352 1.721 20 30 CDEDLO CN(C)C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367066947 391467382 /nfs/dbraw/zinc/46/73/82/391467382.db2.gz PFAQZNHDJQRTBT-UHFFFAOYSA-N 1 2 272.352 1.027 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NC(C)(C)C)C1=O ZINC000330403511 391416874 /nfs/dbraw/zinc/41/68/74/391416874.db2.gz VLGOVCGIBRVBTJ-NEPJUHHUSA-N 1 2 281.400 1.008 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)NC(C)(C)C)C1=O ZINC000330403511 391416878 /nfs/dbraw/zinc/41/68/78/391416878.db2.gz VLGOVCGIBRVBTJ-NEPJUHHUSA-N 1 2 281.400 1.008 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccon1 ZINC000349238543 391538758 /nfs/dbraw/zinc/53/87/58/391538758.db2.gz KHFWGJKLEVQSSN-SUNKGSAMSA-N 1 2 278.356 1.768 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccc(C#N)s2)nn1 ZINC000424169268 391623287 /nfs/dbraw/zinc/62/32/87/391623287.db2.gz HTGLLCLCTKEQMR-UHFFFAOYSA-N 1 2 259.338 1.687 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000253605152 391589809 /nfs/dbraw/zinc/58/98/09/391589809.db2.gz BJNOVEWCQFLKCA-LLVKDONJSA-N 1 2 251.351 1.716 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000253605152 391589815 /nfs/dbraw/zinc/58/98/15/391589815.db2.gz BJNOVEWCQFLKCA-LLVKDONJSA-N 1 2 251.351 1.716 20 30 CDEDLO Cc1cc(NCc2nnc(C(C)(C)C)[nH]2)c(C#N)c[nH+]1 ZINC000425256432 391658584 /nfs/dbraw/zinc/65/85/84/391658584.db2.gz BMEBOEJTZHZXPZ-UHFFFAOYSA-N 1 2 270.340 1.711 20 30 CDEDLO C=CCN1CC[C@H](N(C)c2[nH]c3ccccc3[nH+]2)C1=O ZINC000281942603 391667158 /nfs/dbraw/zinc/66/71/58/391667158.db2.gz RTUZUSJMFBFWHM-ZDUSSCGKSA-N 1 2 270.336 1.786 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000135713890 391732782 /nfs/dbraw/zinc/73/27/82/391732782.db2.gz SXAOAOJZNQNVAQ-ZFWWWQNUSA-N 1 2 281.400 1.495 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCO[C@@](C)(CC)C1 ZINC000135713890 391732787 /nfs/dbraw/zinc/73/27/87/391732787.db2.gz SXAOAOJZNQNVAQ-ZFWWWQNUSA-N 1 2 281.400 1.495 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000413273597 391735740 /nfs/dbraw/zinc/73/57/40/391735740.db2.gz SJCGKUUHDZOEQJ-HUBLWGQQSA-N 1 2 292.383 1.084 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000413273597 391735742 /nfs/dbraw/zinc/73/57/42/391735742.db2.gz SJCGKUUHDZOEQJ-HUBLWGQQSA-N 1 2 292.383 1.084 20 30 CDEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329824103 391785636 /nfs/dbraw/zinc/78/56/36/391785636.db2.gz ZWPMOHYJTZQOHS-XQHKEYJVSA-N 1 2 268.357 1.374 20 30 CDEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329824103 391785640 /nfs/dbraw/zinc/78/56/40/391785640.db2.gz ZWPMOHYJTZQOHS-XQHKEYJVSA-N 1 2 268.357 1.374 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1Nc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000649454445 392230206 /nfs/dbraw/zinc/23/02/06/392230206.db2.gz BNVATSWDNULFKN-MNOVXSKESA-N 1 2 277.372 1.238 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1Nc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000649454445 392230210 /nfs/dbraw/zinc/23/02/10/392230210.db2.gz BNVATSWDNULFKN-MNOVXSKESA-N 1 2 277.372 1.238 20 30 CDEDLO Cc1c[nH+]c(CN2CC(Oc3ccc(C#N)cc3)C2)n1C ZINC000459614257 392494477 /nfs/dbraw/zinc/49/44/77/392494477.db2.gz NSQDVBJZPRDRHE-UHFFFAOYSA-N 1 2 282.347 1.863 20 30 CDEDLO C[C@@H]1[C@H](CO)CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000412066331 392816940 /nfs/dbraw/zinc/81/69/40/392816940.db2.gz DGAFMUYDIAKTAK-PWSUYJOCSA-N 1 2 293.392 1.651 20 30 CDEDLO C[C@@H]1[C@H](CO)CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000412066331 392816943 /nfs/dbraw/zinc/81/69/43/392816943.db2.gz DGAFMUYDIAKTAK-PWSUYJOCSA-N 1 2 293.392 1.651 20 30 CDEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000113257433 392870334 /nfs/dbraw/zinc/87/03/34/392870334.db2.gz GUGCYUMKOQJVQH-NEPJUHHUSA-N 1 2 280.393 1.812 20 30 CDEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000113257433 392870339 /nfs/dbraw/zinc/87/03/39/392870339.db2.gz GUGCYUMKOQJVQH-NEPJUHHUSA-N 1 2 280.393 1.812 20 30 CDEDLO C[C@@H]1C[N@H+](CCNc2c(C#N)cnc3ccccc32)CCO1 ZINC000525193350 392922768 /nfs/dbraw/zinc/92/27/68/392922768.db2.gz KKWMUSMFPYALQJ-CYBMUJFWSA-N 1 2 296.374 1.661 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNc2c(C#N)cnc3ccccc32)CCO1 ZINC000525193350 392922771 /nfs/dbraw/zinc/92/27/71/392922771.db2.gz KKWMUSMFPYALQJ-CYBMUJFWSA-N 1 2 296.374 1.661 20 30 CDEDLO CCNC(=O)C(C)(C)CNc1cc(C)[nH+]cc1C#N ZINC000425247572 393003910 /nfs/dbraw/zinc/00/39/10/393003910.db2.gz ZZQMZNYJCIMKGM-UHFFFAOYSA-N 1 2 260.341 1.258 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1ccc(C#N)s1 ZINC000230337232 140210814 /nfs/dbraw/zinc/21/08/14/140210814.db2.gz CWXXDMVWVIKXBE-SECBINFHSA-N 1 2 296.377 1.183 20 30 CDEDLO CCC#C[C@H](C)[N@@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000650099779 397720030 /nfs/dbraw/zinc/72/00/30/397720030.db2.gz LTMOPDWTFQVHLB-UONOGXRCSA-N 1 2 269.410 1.689 20 30 CDEDLO CCC#C[C@H](C)[N@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000650099779 397720033 /nfs/dbraw/zinc/72/00/33/397720033.db2.gz LTMOPDWTFQVHLB-UONOGXRCSA-N 1 2 269.410 1.689 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(C#N)c2C)CC1 ZINC000490866167 397713541 /nfs/dbraw/zinc/71/35/41/397713541.db2.gz NQFRGJWCOVQFNK-UHFFFAOYSA-N 1 2 296.374 1.056 20 30 CDEDLO CC#CCC[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000185030949 397989343 /nfs/dbraw/zinc/98/93/43/397989343.db2.gz XEUBBDNMZALMAM-UHFFFAOYSA-N 1 2 258.247 1.526 20 30 CDEDLO CC#CCC[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000185030949 397989346 /nfs/dbraw/zinc/98/93/46/397989346.db2.gz XEUBBDNMZALMAM-UHFFFAOYSA-N 1 2 258.247 1.526 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cn1 ZINC000121098527 147357762 /nfs/dbraw/zinc/35/77/62/147357762.db2.gz TYSFMDNDTFQXSL-OAHLLOKOSA-N 1 2 294.314 1.642 20 30 CDEDLO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccon1 ZINC000349233888 154071437 /nfs/dbraw/zinc/07/14/37/154071437.db2.gz AISRZVQUQFVGLC-JTQLQIEISA-N 1 2 270.292 1.836 20 30 CDEDLO C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccon1 ZINC000349245508 154074825 /nfs/dbraw/zinc/07/48/25/154074825.db2.gz RPHWNPGOPHDUFA-LLVKDONJSA-N 1 2 284.319 1.513 20 30 CDEDLO Cn1c[nH+]cc1CNc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000371625068 160034150 /nfs/dbraw/zinc/03/41/50/160034150.db2.gz RLMXWDYWTRXYRX-UHFFFAOYSA-N 1 2 296.309 1.651 20 30 CDEDLO C[C@@H](O)c1cn(C2C[NH+](Cc3cccc(C#N)c3)C2)nn1 ZINC000374807069 160317120 /nfs/dbraw/zinc/31/71/20/160317120.db2.gz ONFGRTQSANIDDP-LLVKDONJSA-N 1 2 283.335 1.260 20 30 CDEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccnc(OC)c2)nn1 ZINC000655776506 412484969 /nfs/dbraw/zinc/48/49/69/412484969.db2.gz HQELKFHKCXIEHF-LLVKDONJSA-N 1 2 273.340 1.719 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000665168223 413916390 /nfs/dbraw/zinc/91/63/90/413916390.db2.gz NJRKTEQHSAFRAI-KRWDZBQOSA-N 1 2 285.343 1.746 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000665168223 413916396 /nfs/dbraw/zinc/91/63/96/413916396.db2.gz NJRKTEQHSAFRAI-KRWDZBQOSA-N 1 2 285.343 1.746 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)nn1 ZINC000657488357 414388399 /nfs/dbraw/zinc/38/83/99/414388399.db2.gz BOJQEESGANGAMU-ZIAGYGMSSA-N 1 2 289.383 1.097 20 30 CDEDLO C=CCOCCNc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000663783584 414459988 /nfs/dbraw/zinc/45/99/88/414459988.db2.gz KSZHUBRFTVTNQS-UHFFFAOYSA-N 1 2 292.383 1.442 20 30 CDEDLO C=CCOCCNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663783584 414459994 /nfs/dbraw/zinc/45/99/94/414459994.db2.gz KSZHUBRFTVTNQS-UHFFFAOYSA-N 1 2 292.383 1.442 20 30 CDEDLO C#Cc1cccc(NC(=O)NCCn2cc[nH+]c2)c1 ZINC000043985541 175134744 /nfs/dbraw/zinc/13/47/44/175134744.db2.gz ZVQMXGVKKLWMQZ-UHFFFAOYSA-N 1 2 254.293 1.686 20 30 CDEDLO N#Cc1ccc(C(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000044363445 175167856 /nfs/dbraw/zinc/16/78/56/175167856.db2.gz NKRVVGDBUQGYJO-UHFFFAOYSA-N 1 2 268.320 1.965 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)NC[C@@H](C)C#N ZINC000171838280 335081844 /nfs/dbraw/zinc/08/18/44/335081844.db2.gz ZORCWIQREMERQB-JTQLQIEISA-N 1 2 256.309 1.621 20 30 CDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@@H]1CCCCO1 ZINC000330181402 228057964 /nfs/dbraw/zinc/05/79/64/228057964.db2.gz GSYBATIXWVMWBA-RYUDHWBXSA-N 1 2 278.356 1.271 20 30 CDEDLO [O-]C(NC[C@@H]1CCCCO1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330181402 228057966 /nfs/dbraw/zinc/05/79/66/228057966.db2.gz GSYBATIXWVMWBA-RYUDHWBXSA-N 1 2 278.356 1.271 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(C#N)cn1)C[C@@H](C)O2 ZINC000517754389 260164124 /nfs/dbraw/zinc/16/41/24/260164124.db2.gz BGIUMVKAJZIUSB-WWGRRREGSA-N 1 2 287.363 1.722 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(C#N)cn1)C[C@@H](C)O2 ZINC000517754389 260164125 /nfs/dbraw/zinc/16/41/25/260164125.db2.gz BGIUMVKAJZIUSB-WWGRRREGSA-N 1 2 287.363 1.722 20 30 CDEDLO C=CCOC[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OC ZINC000449302538 260380651 /nfs/dbraw/zinc/38/06/51/260380651.db2.gz VTBHNTFNDADWET-OWYJLGKBSA-N 1 2 280.368 1.793 20 30 CDEDLO C=CCCCNC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000448381124 261135474 /nfs/dbraw/zinc/13/54/74/261135474.db2.gz IOQRTFLDONITQZ-CYBMUJFWSA-N 1 2 269.389 1.363 20 30 CDEDLO C=CCCCNC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000448381124 261135475 /nfs/dbraw/zinc/13/54/75/261135475.db2.gz IOQRTFLDONITQZ-CYBMUJFWSA-N 1 2 269.389 1.363 20 30 CDEDLO C#CCN(CC#C)Cc1c[nH+]cn1Cc1ccccc1 ZINC000490713806 261191635 /nfs/dbraw/zinc/19/16/35/261191635.db2.gz MJPYTYHSWRHORX-UHFFFAOYSA-N 1 2 263.344 2.000 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1scnc1COC ZINC000491210241 261372407 /nfs/dbraw/zinc/37/24/07/261372407.db2.gz ROLGZPFQQZGSGJ-LLVKDONJSA-N 1 2 294.376 1.544 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1scnc1COC ZINC000491210241 261372409 /nfs/dbraw/zinc/37/24/09/261372409.db2.gz ROLGZPFQQZGSGJ-LLVKDONJSA-N 1 2 294.376 1.544 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc([N+](=O)[O-])cc1F ZINC000414145092 262810119 /nfs/dbraw/zinc/81/01/19/262810119.db2.gz OZHYXTDDBOARIO-LLVKDONJSA-N 1 2 297.286 1.319 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc([N+](=O)[O-])cc1F ZINC000414145092 262810120 /nfs/dbraw/zinc/81/01/20/262810120.db2.gz OZHYXTDDBOARIO-LLVKDONJSA-N 1 2 297.286 1.319 20 30 CDEDLO C=CCCCS(=O)(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000451949284 263013164 /nfs/dbraw/zinc/01/31/64/263013164.db2.gz XCVWNUADJMHHDD-WDEREUQCSA-N 1 2 269.370 1.775 20 30 CDEDLO CC1(C#N)CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000280416617 263061556 /nfs/dbraw/zinc/06/15/56/263061556.db2.gz IKEJFQFFFKRLJI-UHFFFAOYSA-N 1 2 267.292 1.253 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000280847224 263064559 /nfs/dbraw/zinc/06/45/59/263064559.db2.gz KBGDZBABLRKSHK-CQSZACIVSA-N 1 2 293.330 1.290 20 30 CDEDLO NC(=[NH+]OCc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000284003981 263085241 /nfs/dbraw/zinc/08/52/41/263085241.db2.gz HLUOMCZOAAKGSK-LLVKDONJSA-N 1 2 265.269 1.563 20 30 CDEDLO Cc1ccccc1NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284416565 263086959 /nfs/dbraw/zinc/08/69/59/263086959.db2.gz NYCULVBSBHKSKG-LBPRGKRZSA-N 1 2 277.324 1.401 20 30 CDEDLO CC(C)Cc1noc(CO[NH+]=C(N)[C@@H]2CCCO2)n1 ZINC000284575360 263087427 /nfs/dbraw/zinc/08/74/27/263087427.db2.gz XDRPBQKKCOFQIF-VIFPVBQESA-N 1 2 268.317 1.236 20 30 CDEDLO COc1cccc(/C=[NH+]/CCC2(O)CCOCC2)c1O ZINC000285210158 263091249 /nfs/dbraw/zinc/09/12/49/263091249.db2.gz FAZDKLISOPWRJH-LFIBNONCSA-N 1 2 279.336 1.751 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCCOC2CCC2)cc1 ZINC000288715878 263105762 /nfs/dbraw/zinc/10/57/62/263105762.db2.gz VNMKHCYZOXBTIT-UHFFFAOYSA-N 1 2 264.325 1.901 20 30 CDEDLO N#CCOc1cccc(CC(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000290893458 263119052 /nfs/dbraw/zinc/11/90/52/263119052.db2.gz GDWDZJJFWXQKPY-UHFFFAOYSA-N 1 2 296.330 1.370 20 30 CDEDLO CN1C(=O)C[C@H]([NH2+]CCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000298385251 263218554 /nfs/dbraw/zinc/21/85/54/263218554.db2.gz DMYCKHYOAQCYPG-JSGCOSHPSA-N 1 2 279.290 1.740 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000121136551 263289696 /nfs/dbraw/zinc/28/96/96/263289696.db2.gz JEEMXOWBHMYRLT-UHFFFAOYSA-N 1 2 293.392 1.392 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000121136551 263289697 /nfs/dbraw/zinc/28/96/97/263289697.db2.gz JEEMXOWBHMYRLT-UHFFFAOYSA-N 1 2 293.392 1.392 20 30 CDEDLO C[C@@H]1CCC[C@@H]1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000328645223 263832048 /nfs/dbraw/zinc/83/20/48/263832048.db2.gz ARYXFFGOBFMOOK-WOPDTQHZSA-N 1 2 255.362 1.009 20 30 CDEDLO C[C@@H]1CCC[C@@H]1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000328645223 263832050 /nfs/dbraw/zinc/83/20/50/263832050.db2.gz ARYXFFGOBFMOOK-WOPDTQHZSA-N 1 2 255.362 1.009 20 30 CDEDLO C[C@@H]1CC(=O)N[C@H](C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000328984015 263911972 /nfs/dbraw/zinc/91/19/72/263911972.db2.gz FXUHGJKMJVGXCI-RYUDHWBXSA-N 1 2 295.383 1.563 20 30 CDEDLO COc1ccc(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)cc1 ZINC000330694333 264004824 /nfs/dbraw/zinc/00/48/24/264004824.db2.gz BBIDHPNQDXMJIP-CYBMUJFWSA-N 1 2 292.383 1.267 20 30 CDEDLO COc1ccc(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)cc1 ZINC000330694333 264004828 /nfs/dbraw/zinc/00/48/28/264004828.db2.gz BBIDHPNQDXMJIP-CYBMUJFWSA-N 1 2 292.383 1.267 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(C(C)(C)C)on1 ZINC000330898342 264079139 /nfs/dbraw/zinc/07/91/39/264079139.db2.gz MTLVBRJKRZPGOF-LLVKDONJSA-N 1 2 295.383 1.997 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(C(C)(C)C)on1 ZINC000330898342 264079141 /nfs/dbraw/zinc/07/91/41/264079141.db2.gz MTLVBRJKRZPGOF-LLVKDONJSA-N 1 2 295.383 1.997 20 30 CDEDLO CC#CCCCC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000331212488 264163108 /nfs/dbraw/zinc/16/31/08/264163108.db2.gz ZWIZAUSWKKMJAO-DZGCQCFKSA-N 1 2 289.379 1.950 20 30 CDEDLO O=C(N[C@H](CO)C[NH+]1CCOCC1)C1=CCCCC1 ZINC000331250704 264181122 /nfs/dbraw/zinc/18/11/22/264181122.db2.gz ZTFFCSGLLXOGBJ-ZDUSSCGKSA-N 1 2 268.357 1.136 20 30 CDEDLO CCc1nn(C)cc1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000331356054 264208667 /nfs/dbraw/zinc/20/86/67/264208667.db2.gz RKOQDHKIKYKSRW-UHFFFAOYSA-N 1 2 294.399 1.398 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000425405005 264283695 /nfs/dbraw/zinc/28/36/95/264283695.db2.gz XJVUGJYNCPRLJH-QWHCGFSZSA-N 1 2 297.362 1.868 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](OCC)C2)nn1 ZINC000653558158 424278112 /nfs/dbraw/zinc/27/81/12/424278112.db2.gz WAKPKSXELAYYAD-CQSZACIVSA-N 1 2 264.373 1.855 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](OCC)C2)nn1 ZINC000653558158 424278116 /nfs/dbraw/zinc/27/81/16/424278116.db2.gz WAKPKSXELAYYAD-CQSZACIVSA-N 1 2 264.373 1.855 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC(=O)CC12CCC2 ZINC000519176577 265353229 /nfs/dbraw/zinc/35/32/29/265353229.db2.gz BWNYRCOFZNQJJO-UHFFFAOYSA-N 1 2 278.396 1.999 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC(=O)CC12CCC2 ZINC000519176577 265353231 /nfs/dbraw/zinc/35/32/31/265353231.db2.gz BWNYRCOFZNQJJO-UHFFFAOYSA-N 1 2 278.396 1.999 20 30 CDEDLO C=CCOCCNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000662710841 424359269 /nfs/dbraw/zinc/35/92/69/424359269.db2.gz KCOPJQUBZKSOOQ-LBPRGKRZSA-N 1 2 270.279 1.283 20 30 CDEDLO COCC1(C#N)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000357104876 266248422 /nfs/dbraw/zinc/24/84/22/266248422.db2.gz XHJDEDKDTOVLLM-UHFFFAOYSA-N 1 2 290.367 1.466 20 30 CDEDLO C=C[C@H](C)NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000362380587 266975423 /nfs/dbraw/zinc/97/54/23/266975423.db2.gz QZNWIPJZCIGUNW-NSHDSACASA-N 1 2 258.325 1.751 20 30 CDEDLO C#CCCCCNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000362734869 267040553 /nfs/dbraw/zinc/04/05/53/267040553.db2.gz IWCPVQOACGXMJB-ZDUSSCGKSA-N 1 2 274.368 1.723 20 30 CDEDLO C#CCCCS(=O)(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000367787505 267117979 /nfs/dbraw/zinc/11/79/79/267117979.db2.gz SQJKPNFDICQVOG-KBPBESRZSA-N 1 2 295.408 1.509 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCOc2cc(OC)ccc2C1 ZINC000374843709 267817426 /nfs/dbraw/zinc/81/74/26/267817426.db2.gz RRVFVDZFFVQFNQ-LBPRGKRZSA-N 1 2 288.347 1.028 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCOc2cc(OC)ccc2C1 ZINC000374843709 267817428 /nfs/dbraw/zinc/81/74/28/267817428.db2.gz RRVFVDZFFVQFNQ-LBPRGKRZSA-N 1 2 288.347 1.028 20 30 CDEDLO N#Cc1cc(NCc2ccc(N3CCCC3)[nH+]c2)ncn1 ZINC000526276261 268172562 /nfs/dbraw/zinc/17/25/62/268172562.db2.gz AZBWSCYVFAELEA-UHFFFAOYSA-N 1 2 280.335 1.377 20 30 CDEDLO N#Cc1cc(N2CC[NH+](Cc3cccc(O)c3)CC2)ncn1 ZINC000527134732 268184815 /nfs/dbraw/zinc/18/48/15/268184815.db2.gz OHEGMXDZXSOEAM-UHFFFAOYSA-N 1 2 295.346 1.376 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000076186005 275716754 /nfs/dbraw/zinc/71/67/54/275716754.db2.gz AOMUSVFQAHAPRP-HOTGVXAUSA-N 1 2 272.392 1.736 20 30 CDEDLO C=C(C)CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000335801489 277776910 /nfs/dbraw/zinc/77/69/10/277776910.db2.gz KJCVYYDFPLKXAF-QWHCGFSZSA-N 1 2 267.373 1.067 20 30 CDEDLO Cc1ncc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)s1 ZINC000330257904 279147503 /nfs/dbraw/zinc/14/75/03/279147503.db2.gz QYFNGTBREDWYLB-VIFPVBQESA-N 1 2 262.338 1.968 20 30 CDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ncccc1C#N ZINC000286507739 288719006 /nfs/dbraw/zinc/71/90/06/288719006.db2.gz YSDXKUSLNRPODD-OCCSQVGLSA-N 1 2 272.352 1.253 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000551351710 290005690 /nfs/dbraw/zinc/00/56/90/290005690.db2.gz GKJFRKPPAJTKLC-LLVKDONJSA-N 1 2 283.335 1.524 20 30 CDEDLO N#Cc1ccc(C(=O)NCc2c[nH+]c3n2CCCC3)cc1O ZINC000552789326 290081551 /nfs/dbraw/zinc/08/15/51/290081551.db2.gz NFAYVPPUVHNRDG-UHFFFAOYSA-N 1 2 296.330 1.727 20 30 CDEDLO C[C@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccccc1C#N ZINC000156923471 290139410 /nfs/dbraw/zinc/13/94/10/290139410.db2.gz WAUGOFOJCVWMSG-SWLSCSKDSA-N 1 2 260.337 1.530 20 30 CDEDLO C[C@H](O)C[C@@H]1COCC[N@H+]1Cc1ccccc1C#N ZINC000156923471 290139412 /nfs/dbraw/zinc/13/94/12/290139412.db2.gz WAUGOFOJCVWMSG-SWLSCSKDSA-N 1 2 260.337 1.530 20 30 CDEDLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)c1ccc(C#N)cc1 ZINC000554320247 290152446 /nfs/dbraw/zinc/15/24/46/290152446.db2.gz VIQIPMUYPNODSA-LLVKDONJSA-N 1 2 268.320 1.712 20 30 CDEDLO Cn1ccnc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000555653243 290232194 /nfs/dbraw/zinc/23/21/94/290232194.db2.gz HWSAGRITAATJAT-ZDUSSCGKSA-N 1 2 283.335 1.340 20 30 CDEDLO Cn1ccnc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000555653243 290232195 /nfs/dbraw/zinc/23/21/95/290232195.db2.gz HWSAGRITAATJAT-ZDUSSCGKSA-N 1 2 283.335 1.340 20 30 CDEDLO N#Cc1cncc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000568379712 294023060 /nfs/dbraw/zinc/02/30/60/294023060.db2.gz SRSOYJACHYRQPR-CYBMUJFWSA-N 1 2 267.292 1.401 20 30 CDEDLO COc1cc(C#N)ccc1S(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000574446510 295000386 /nfs/dbraw/zinc/00/03/86/295000386.db2.gz DLXGCNZIEDBXNW-UHFFFAOYSA-N 1 2 278.293 1.091 20 30 CDEDLO C=C(CC)C[N@@H+]1CCN(S(=O)(=O)CC)C[C@H]1C ZINC000347328098 526853240 /nfs/dbraw/zinc/85/32/40/526853240.db2.gz YASKYHAZLLSBJF-GFCCVEGCSA-N 1 2 260.403 1.308 20 30 CDEDLO C=C(CC)C[N@H+]1CCN(S(=O)(=O)CC)C[C@H]1C ZINC000347328098 526853245 /nfs/dbraw/zinc/85/32/45/526853245.db2.gz YASKYHAZLLSBJF-GFCCVEGCSA-N 1 2 260.403 1.308 20 30 CDEDLO COc1cc(C[NH2+][C@@H](C)CC#N)ccc1-c1nn[nH]n1 ZINC001591533591 1173665463 /nfs/dbraw/zinc/66/54/63/1173665463.db2.gz NHNGGCIAOWSMAH-VIFPVBQESA-N 1 2 272.312 1.267 20 30 CDEDLO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000563092193 327921951 /nfs/dbraw/zinc/92/19/51/327921951.db2.gz KGDLOJDCDYJKLN-SECBINFHSA-N 1 2 278.268 1.260 20 30 CDEDLO Cc1[nH]nc(NC(=O)C[C@H](C)n2cc[nH+]c2)c1C#N ZINC000563334468 316254644 /nfs/dbraw/zinc/25/46/44/316254644.db2.gz LXFVJCYPWCUQAY-QMMMGPOBSA-N 1 2 258.285 1.376 20 30 CDEDLO Cc1ccc[nH+]c1CCCNc1ccnc(C#N)n1 ZINC000563426647 316307729 /nfs/dbraw/zinc/30/77/29/316307729.db2.gz VJEYYSQXTAMOAP-UHFFFAOYSA-N 1 2 253.309 1.518 20 30 CDEDLO N#Cc1nccc(NCCc2cn3ccccc3[nH+]2)n1 ZINC000563786890 316369655 /nfs/dbraw/zinc/36/96/55/316369655.db2.gz QDZIUVHMFNFSLT-UHFFFAOYSA-N 1 2 264.292 1.072 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCN(C)C[C@@H]1CC ZINC000571517619 328131241 /nfs/dbraw/zinc/13/12/41/328131241.db2.gz OKFIYBGMGADQMK-AWEZNQCLSA-N 1 2 265.401 1.213 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCN(C)C[C@@H]1CC ZINC000571517619 328131242 /nfs/dbraw/zinc/13/12/42/328131242.db2.gz OKFIYBGMGADQMK-AWEZNQCLSA-N 1 2 265.401 1.213 20 30 CDEDLO CCN(CCC#N)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000267390344 328177639 /nfs/dbraw/zinc/17/76/39/328177639.db2.gz NIAHMHBHYJVSFB-UHFFFAOYSA-N 1 2 269.308 1.643 20 30 CDEDLO C[N@H+](CCC(C)(C)C#N)Cc1ncnn1CC(F)F ZINC000278856793 328231260 /nfs/dbraw/zinc/23/12/60/328231260.db2.gz GBFIZWCYBDKPHR-UHFFFAOYSA-N 1 2 271.315 1.915 20 30 CDEDLO C[N@@H+](CCC(C)(C)C#N)Cc1ncnn1CC(F)F ZINC000278856793 328231262 /nfs/dbraw/zinc/23/12/62/328231262.db2.gz GBFIZWCYBDKPHR-UHFFFAOYSA-N 1 2 271.315 1.915 20 30 CDEDLO NC(=[NH+]OCC(=O)Nc1cc(F)ccc1F)[C@@H]1CCCO1 ZINC000284598511 328246302 /nfs/dbraw/zinc/24/63/02/328246302.db2.gz YHXKUSYRLDIDNQ-NSHDSACASA-N 1 2 299.277 1.371 20 30 CDEDLO CC1(C)C[C@@]1(C#N)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000292409822 328270101 /nfs/dbraw/zinc/27/01/01/328270101.db2.gz GZXXQPKCEKBTTH-HNNXBMFYSA-N 1 2 281.319 1.689 20 30 CDEDLO C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccco1 ZINC000048921727 328325715 /nfs/dbraw/zinc/32/57/15/328325715.db2.gz CNCWOYAQMQQPTI-UHFFFAOYSA-N 1 2 274.324 1.367 20 30 CDEDLO C[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccco1 ZINC000048921727 328325716 /nfs/dbraw/zinc/32/57/16/328325716.db2.gz CNCWOYAQMQQPTI-UHFFFAOYSA-N 1 2 274.324 1.367 20 30 CDEDLO C#CC[NH+]1CCN(c2cc(C)nc(-c3ccncc3)n2)CC1 ZINC000112073668 328383363 /nfs/dbraw/zinc/38/33/63/328383363.db2.gz SKCSMIFEYSDQAD-UHFFFAOYSA-N 1 2 293.374 1.602 20 30 CDEDLO C=CC[C@H](CO)NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000341497021 328411213 /nfs/dbraw/zinc/41/12/13/328411213.db2.gz JKFGCSGPCHWKEV-CHWSQXEVSA-N 1 2 292.383 1.305 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCCC(=O)OC(C)(C)C ZINC000491298611 332184964 /nfs/dbraw/zinc/18/49/64/332184964.db2.gz WHZPNUGILXGGKL-GFCCVEGCSA-N 1 2 253.342 1.442 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCCC(=O)OC(C)(C)C ZINC000491298611 332184965 /nfs/dbraw/zinc/18/49/65/332184965.db2.gz WHZPNUGILXGGKL-GFCCVEGCSA-N 1 2 253.342 1.442 20 30 CDEDLO C#CCCCNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000177840872 329193055 /nfs/dbraw/zinc/19/30/55/329193055.db2.gz OHIMFCCGVRPZHX-KBPBESRZSA-N 1 2 274.368 1.889 20 30 CDEDLO Cc1cc(-n2cc[nH+]c2)ccc1CN1CCOC[C@@H]1C#N ZINC000192111412 329428476 /nfs/dbraw/zinc/42/84/76/329428476.db2.gz XVJCBKWOTVBLNI-INIZCTEOSA-N 1 2 282.347 1.905 20 30 CDEDLO C[C@H]1CCCN(C(=O)C2CC[NH+](CCC#N)CC2)C1 ZINC000049752138 329641210 /nfs/dbraw/zinc/64/12/10/329641210.db2.gz ZTJXBSMAEQPNCE-ZDUSSCGKSA-N 1 2 263.385 1.871 20 30 CDEDLO COCCC[C@@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000572125300 329946671 /nfs/dbraw/zinc/94/66/71/329946671.db2.gz WGKAWKVNQMQJQO-YPMHNXCESA-N 1 2 255.362 1.009 20 30 CDEDLO N#CCC1(O)C[NH+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000424131298 330262372 /nfs/dbraw/zinc/26/23/72/330262372.db2.gz GECLWFBYDTWVLN-UHFFFAOYSA-N 1 2 277.299 1.115 20 30 CDEDLO CC(C)[C@H](CNC(=O)[C@@]1(C#N)C[C@@H]1C)[NH+]1CCOCC1 ZINC000448634080 330746062 /nfs/dbraw/zinc/74/60/62/330746062.db2.gz RUQWJOIMGIFTCD-KCQAQPDRSA-N 1 2 279.384 1.009 20 30 CDEDLO C[C@H]1C[C@]1(C#N)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000451284075 331023172 /nfs/dbraw/zinc/02/31/72/331023172.db2.gz JDKOZJLVVBCJFD-SWLSCSKDSA-N 1 2 279.384 1.105 20 30 CDEDLO C[C@H]1C[C@]1(C#N)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000451284075 331023173 /nfs/dbraw/zinc/02/31/73/331023173.db2.gz JDKOZJLVVBCJFD-SWLSCSKDSA-N 1 2 279.384 1.105 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000456784652 331203765 /nfs/dbraw/zinc/20/37/65/331203765.db2.gz XPNGITIVJNTOIN-CVEARBPZSA-N 1 2 288.391 1.704 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000456784652 331203766 /nfs/dbraw/zinc/20/37/66/331203766.db2.gz XPNGITIVJNTOIN-CVEARBPZSA-N 1 2 288.391 1.704 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458721356 331257819 /nfs/dbraw/zinc/25/78/19/331257819.db2.gz CMKUBVHAQXFWTC-MELADBBJSA-N 1 2 281.400 1.504 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458721356 331257820 /nfs/dbraw/zinc/25/78/20/331257820.db2.gz CMKUBVHAQXFWTC-MELADBBJSA-N 1 2 281.400 1.504 20 30 CDEDLO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccn(C)n1 ZINC000459777703 331300322 /nfs/dbraw/zinc/30/03/22/331300322.db2.gz LLRJMCSEZDVSFH-LBPRGKRZSA-N 1 2 289.383 1.413 20 30 CDEDLO C[C@@H]([NH2+]CC(=O)NCC#N)c1nc(C(F)(F)F)cs1 ZINC000490044090 332078373 /nfs/dbraw/zinc/07/83/73/332078373.db2.gz LXVMEMQLXRPZIB-ZCFIWIBFSA-N 1 2 292.286 1.452 20 30 CDEDLO C#CC[N@@H+](Cc1cccc(CC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000490740941 332111587 /nfs/dbraw/zinc/11/15/87/332111587.db2.gz RUTOPIBDGATUIN-MRXNPFEDSA-N 1 2 291.416 1.871 20 30 CDEDLO C#CC[N@H+](Cc1cccc(CC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000490740941 332111589 /nfs/dbraw/zinc/11/15/89/332111589.db2.gz RUTOPIBDGATUIN-MRXNPFEDSA-N 1 2 291.416 1.871 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCN1CCc2ccccc21 ZINC000491295280 332183512 /nfs/dbraw/zinc/18/35/12/332183512.db2.gz GIHSWHZVFWQSPA-OAHLLOKOSA-N 1 2 256.349 1.383 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCN1CCc2ccccc21 ZINC000491295280 332183513 /nfs/dbraw/zinc/18/35/13/332183513.db2.gz GIHSWHZVFWQSPA-OAHLLOKOSA-N 1 2 256.349 1.383 20 30 CDEDLO C#CC[N@@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000491327082 332190798 /nfs/dbraw/zinc/19/07/98/332190798.db2.gz SRZSYWUMGUGLFE-UHFFFAOYSA-N 1 2 258.281 1.926 20 30 CDEDLO C#CC[N@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000491327082 332190799 /nfs/dbraw/zinc/19/07/99/332190799.db2.gz SRZSYWUMGUGLFE-UHFFFAOYSA-N 1 2 258.281 1.926 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCCc1c(F)cccc1F)C1CC1 ZINC000491408998 332207003 /nfs/dbraw/zinc/20/70/03/332207003.db2.gz YHRVCPJFQGQZLF-UHFFFAOYSA-N 1 2 292.329 1.721 20 30 CDEDLO C#CC[N@H+](CC(=O)NCCc1c(F)cccc1F)C1CC1 ZINC000491408998 332207004 /nfs/dbraw/zinc/20/70/04/332207004.db2.gz YHRVCPJFQGQZLF-UHFFFAOYSA-N 1 2 292.329 1.721 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1C(C)=O ZINC000491421137 332208670 /nfs/dbraw/zinc/20/86/70/332208670.db2.gz ZILFKHWXZVVJEE-LLVKDONJSA-N 1 2 258.321 1.781 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1C(C)=O ZINC000491421137 332208672 /nfs/dbraw/zinc/20/86/72/332208672.db2.gz ZILFKHWXZVVJEE-LLVKDONJSA-N 1 2 258.321 1.781 20 30 CDEDLO C#CCN(CC#CC)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000491543400 332233905 /nfs/dbraw/zinc/23/39/05/332233905.db2.gz GMTAVVQVWKAXNX-CQSZACIVSA-N 1 2 284.363 1.539 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000491622296 332247318 /nfs/dbraw/zinc/24/73/18/332247318.db2.gz IAFAXXXIIRXALO-HNNXBMFYSA-N 1 2 256.349 1.745 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000491622296 332247320 /nfs/dbraw/zinc/24/73/20/332247320.db2.gz IAFAXXXIIRXALO-HNNXBMFYSA-N 1 2 256.349 1.745 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1OCC ZINC000491655291 332267300 /nfs/dbraw/zinc/26/73/00/332267300.db2.gz QTYBDBHFJFNNQP-GFCCVEGCSA-N 1 2 260.337 1.977 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1OCC ZINC000491655291 332267301 /nfs/dbraw/zinc/26/73/01/332267301.db2.gz QTYBDBHFJFNNQP-GFCCVEGCSA-N 1 2 260.337 1.977 20 30 CDEDLO C#CC(C)(C)[N@H+](C)CC(=O)Nc1nc(C)cs1 ZINC000491711936 332303348 /nfs/dbraw/zinc/30/33/48/332303348.db2.gz VXJLDLGRKWCANA-UHFFFAOYSA-N 1 2 251.355 1.734 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1nc(C)cs1 ZINC000491711936 332303350 /nfs/dbraw/zinc/30/33/50/332303350.db2.gz VXJLDLGRKWCANA-UHFFFAOYSA-N 1 2 251.355 1.734 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000491734749 332315514 /nfs/dbraw/zinc/31/55/14/332315514.db2.gz FBTRYDDKMLIDMU-FZMZJTMJSA-N 1 2 250.342 1.319 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000491734749 332315516 /nfs/dbraw/zinc/31/55/16/332315516.db2.gz FBTRYDDKMLIDMU-FZMZJTMJSA-N 1 2 250.342 1.319 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000491781121 332345397 /nfs/dbraw/zinc/34/53/97/332345397.db2.gz MWUDZWYVNASAHM-GXTWGEPZSA-N 1 2 272.348 1.945 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000491781121 332345399 /nfs/dbraw/zinc/34/53/99/332345399.db2.gz MWUDZWYVNASAHM-GXTWGEPZSA-N 1 2 272.348 1.945 20 30 CDEDLO C#C[C@@H]1COCCN1Cc1c[nH+]c2cccc(C)n12 ZINC000491819730 332369757 /nfs/dbraw/zinc/36/97/57/332369757.db2.gz VNEUPNIJJBROJK-CYBMUJFWSA-N 1 2 255.321 1.477 20 30 CDEDLO CC(C)(C)/C=C\C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000491896792 332374259 /nfs/dbraw/zinc/37/42/59/332374259.db2.gz WKBDUQNQXUQRMQ-WAYWQWQTSA-N 1 2 293.411 1.663 20 30 CDEDLO CCn1cc[nH+]c1/C=C\C(=O)N1CCSC[C@H]1C#N ZINC000492369277 332394405 /nfs/dbraw/zinc/39/44/05/332394405.db2.gz VFYRYPACFYXJHO-DLRQAJBASA-N 1 2 276.365 1.384 20 30 CDEDLO N#CCCN(Cc1ccco1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493333653 332435865 /nfs/dbraw/zinc/43/58/65/332435865.db2.gz KSAQILSDZRJUFC-SNAWJCMRSA-N 1 2 270.292 1.958 20 30 CDEDLO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C=[NH+]n2ccnn2)C1 ZINC000496926199 332564785 /nfs/dbraw/zinc/56/47/85/332564785.db2.gz ZYKXJSDUBMXXDR-ZWNOBZJWSA-N 1 2 277.328 1.369 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192638585 333237097 /nfs/dbraw/zinc/23/70/97/333237097.db2.gz VUAMTLMXFJKMHM-LLVKDONJSA-N 1 2 277.324 1.717 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192638585 333237098 /nfs/dbraw/zinc/23/70/98/333237098.db2.gz VUAMTLMXFJKMHM-LLVKDONJSA-N 1 2 277.324 1.717 20 30 CDEDLO C#CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000192985924 333241099 /nfs/dbraw/zinc/24/10/99/333241099.db2.gz AIDSVMJWCRUIHO-LBPRGKRZSA-N 1 2 293.392 1.054 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1ccc(F)cc1F ZINC000565051644 334536710 /nfs/dbraw/zinc/53/67/10/334536710.db2.gz OGTQFGGPSCAXEA-CQSZACIVSA-N 1 2 297.305 1.304 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H](C)C1CC1)CO2 ZINC001755066133 1159517250 /nfs/dbraw/zinc/51/72/50/1159517250.db2.gz VHSSPXBDOZNHLU-ZFWWWQNUSA-N 1 2 290.407 1.405 20 30 CDEDLO C[C@@H](C(=O)NCc1cn2c([nH+]1)CCCC2)N1CCOCC1 ZINC000328800551 482955560 /nfs/dbraw/zinc/95/55/60/482955560.db2.gz YNANYBPCDMYIPP-LBPRGKRZSA-N 1 2 292.383 1.397 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2nc3c(s2)CCC3)C1=O ZINC000684967274 483043337 /nfs/dbraw/zinc/04/33/37/483043337.db2.gz UKZLYANFFYQIHU-GFCCVEGCSA-N 1 2 291.420 1.851 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2nc3c(s2)CCC3)C1=O ZINC000684967274 483043343 /nfs/dbraw/zinc/04/33/43/483043343.db2.gz UKZLYANFFYQIHU-GFCCVEGCSA-N 1 2 291.420 1.851 20 30 CDEDLO C=CCCOCC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000654005044 483315563 /nfs/dbraw/zinc/31/55/63/483315563.db2.gz LWBUWWXSYKDBNF-NSHDSACASA-N 1 2 251.330 1.673 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CC(C)(C)O ZINC001717471212 1180691616 /nfs/dbraw/zinc/69/16/16/1180691616.db2.gz XMQFTQFMDSAIQM-SNVBAGLBSA-N 1 2 262.781 1.336 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CC(C)(C)O ZINC001717471212 1180691617 /nfs/dbraw/zinc/69/16/17/1180691617.db2.gz XMQFTQFMDSAIQM-SNVBAGLBSA-N 1 2 262.781 1.336 20 30 CDEDLO Cc1c[nH]cc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000354951718 533984947 /nfs/dbraw/zinc/98/49/47/533984947.db2.gz MACPVXZVZPDFAQ-UHFFFAOYSA-N 1 2 290.367 1.011 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc(CC#N)c(C)c2)C[NH2+]1 ZINC001169132067 1161999545 /nfs/dbraw/zinc/99/95/45/1161999545.db2.gz CAYCBFHDLBKGGO-KGLIPLIRSA-N 1 2 273.336 1.377 20 30 CDEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CCCCC)CC2=O)C1 ZINC001108507127 1162012811 /nfs/dbraw/zinc/01/28/11/1162012811.db2.gz JNDCNJUSPZLXCO-ZDUSSCGKSA-N 1 2 293.411 1.154 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2cocc2C)CC1 ZINC001113203024 1162129033 /nfs/dbraw/zinc/12/90/33/1162129033.db2.gz ANGXIVNBQUISFN-UHFFFAOYSA-N 1 2 278.352 1.548 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)C2(CC)CCC2)CC1 ZINC001113218021 1162130486 /nfs/dbraw/zinc/13/04/86/1162130486.db2.gz QUOSOBDKYNNGHK-UHFFFAOYSA-N 1 2 280.412 1.914 20 30 CDEDLO Cc1ccnc(C)c1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329263616 534385580 /nfs/dbraw/zinc/38/55/80/534385580.db2.gz ZWICNLJBOCXOEN-OLZOCXBDSA-N 1 2 290.367 1.259 20 30 CDEDLO Cc1ccnc(C)c1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329263616 534385587 /nfs/dbraw/zinc/38/55/87/534385587.db2.gz ZWICNLJBOCXOEN-OLZOCXBDSA-N 1 2 290.367 1.259 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H](OC)C(F)(F)F)CC1 ZINC001113505952 1162199567 /nfs/dbraw/zinc/19/95/67/1162199567.db2.gz QPNQWZIOLAEUTP-NSHDSACASA-N 1 2 292.301 1.121 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000370349212 523981565 /nfs/dbraw/zinc/98/15/65/523981565.db2.gz PACVFCHPSKIEAI-LSDHHAIUSA-N 1 2 288.347 1.711 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000370349212 523981567 /nfs/dbraw/zinc/98/15/67/523981567.db2.gz PACVFCHPSKIEAI-LSDHHAIUSA-N 1 2 288.347 1.711 20 30 CDEDLO COc1ccc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)cc1C#N ZINC000246797183 524023014 /nfs/dbraw/zinc/02/30/14/524023014.db2.gz MQKMEQUESPZKOV-LSDHHAIUSA-N 1 2 299.374 1.810 20 30 CDEDLO COc1ccc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)cc1C#N ZINC000246797183 524023018 /nfs/dbraw/zinc/02/30/18/524023018.db2.gz MQKMEQUESPZKOV-LSDHHAIUSA-N 1 2 299.374 1.810 20 30 CDEDLO C=CCOCC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000354585879 526709320 /nfs/dbraw/zinc/70/93/20/526709320.db2.gz ZGGIWWPUGMWDTF-UHFFFAOYSA-N 1 2 285.347 1.750 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000347643141 527609599 /nfs/dbraw/zinc/60/95/99/527609599.db2.gz LGLXIQUQPYSDRV-DZGCQCFKSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000347643141 527609604 /nfs/dbraw/zinc/60/96/04/527609604.db2.gz LGLXIQUQPYSDRV-DZGCQCFKSA-N 1 2 268.401 1.816 20 30 CDEDLO CCC[C@@H]1C[C@H]1NC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330245394 527851013 /nfs/dbraw/zinc/85/10/13/527851013.db2.gz DRSQBAZUECDDGD-GRYCIOLGSA-N 1 2 262.357 1.890 20 30 CDEDLO CCC[C@@H]1C[C@H]1[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000330245394 527851020 /nfs/dbraw/zinc/85/10/20/527851020.db2.gz DRSQBAZUECDDGD-GRYCIOLGSA-N 1 2 262.357 1.890 20 30 CDEDLO CC[N@@H+](Cc1cnn(CCOC)c1)C[C@@H](C)C#N ZINC000352101632 528879404 /nfs/dbraw/zinc/87/94/04/528879404.db2.gz BTZJQXKUXMEZPP-LBPRGKRZSA-N 1 2 250.346 1.511 20 30 CDEDLO CC[N@H+](Cc1cnn(CCOC)c1)C[C@@H](C)C#N ZINC000352101632 528879410 /nfs/dbraw/zinc/87/94/10/528879410.db2.gz BTZJQXKUXMEZPP-LBPRGKRZSA-N 1 2 250.346 1.511 20 30 CDEDLO CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC000330021544 529082831 /nfs/dbraw/zinc/08/28/31/529082831.db2.gz XZJWGBPDMLRWHS-NWDGAFQWSA-N 1 2 288.413 1.395 20 30 CDEDLO CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC000330021544 529082836 /nfs/dbraw/zinc/08/28/36/529082836.db2.gz XZJWGBPDMLRWHS-NWDGAFQWSA-N 1 2 288.413 1.395 20 30 CDEDLO C[C@@H](NC(=O)N1CCn2cc[nH+]c2C1)c1cncc(F)c1 ZINC000329318033 538558600 /nfs/dbraw/zinc/55/86/00/538558600.db2.gz SREZROIRMMYJNW-SNVBAGLBSA-N 1 2 289.314 1.908 20 30 CDEDLO CCC[C@H](C#N)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000726532641 574499883 /nfs/dbraw/zinc/49/98/83/574499883.db2.gz NLEDAWYDFZJMPZ-GFCCVEGCSA-N 1 2 269.308 1.689 20 30 CDEDLO C#CCSCCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000740071759 574523040 /nfs/dbraw/zinc/52/30/40/574523040.db2.gz UFXIVIAIINURPL-UHFFFAOYSA-N 1 2 288.376 1.500 20 30 CDEDLO CC(=NN[C@@H](C)CO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000749820653 574550720 /nfs/dbraw/zinc/55/07/20/574550720.db2.gz HSLGWLCPMALYEG-NSHDSACASA-N 1 2 258.325 1.567 20 30 CDEDLO C=CCOCC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000729351267 574753242 /nfs/dbraw/zinc/75/32/42/574753242.db2.gz PSPPSKQEGZPEOQ-UHFFFAOYSA-N 1 2 264.325 1.526 20 30 CDEDLO C=CCN(C(=O)N[C@H](C)C[NH+]1CCN(C)CC1)C(C)C ZINC000730132677 574852583 /nfs/dbraw/zinc/85/25/83/574852583.db2.gz XXLKOSPCLLKOMF-CQSZACIVSA-N 1 2 282.432 1.228 20 30 CDEDLO C=CCn1nnn(C[N@H+](C)C[C@@H]2CCCOC2)c1=S ZINC000730803552 575010287 /nfs/dbraw/zinc/01/02/87/575010287.db2.gz KIPKXDHAHRLBJX-NSHDSACASA-N 1 2 283.401 1.311 20 30 CDEDLO C=CCn1nnn(C[N@@H+](C)C[C@@H]2CCCOC2)c1=S ZINC000730803552 575010288 /nfs/dbraw/zinc/01/02/88/575010288.db2.gz KIPKXDHAHRLBJX-NSHDSACASA-N 1 2 283.401 1.311 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)Cc1ccc(OCC#N)cc1 ZINC000732095781 575079631 /nfs/dbraw/zinc/07/96/31/575079631.db2.gz YPUHUXRELGHKOR-UHFFFAOYSA-N 1 2 284.319 1.513 20 30 CDEDLO C#C[C@@H](CC)NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000767874548 576234521 /nfs/dbraw/zinc/23/45/21/576234521.db2.gz ODPCZTHMLUVUQL-OLZOCXBDSA-N 1 2 274.368 1.721 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746323100 576769995 /nfs/dbraw/zinc/76/99/95/576769995.db2.gz DENHFYQZRBEBIW-SECBINFHSA-N 1 2 259.300 1.334 20 30 CDEDLO C#CCNC(=S)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000764927970 575965339 /nfs/dbraw/zinc/96/53/39/575965339.db2.gz GQKHNWDJRJDCCJ-LBPRGKRZSA-N 1 2 293.461 1.934 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnn(CC(C)C)c1C ZINC000766553791 576113771 /nfs/dbraw/zinc/11/37/71/576113771.db2.gz FQZVJONFDBKMTE-HNNXBMFYSA-N 1 2 288.395 1.884 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnn(CC(C)C)c1C ZINC000766553791 576113773 /nfs/dbraw/zinc/11/37/73/576113773.db2.gz FQZVJONFDBKMTE-HNNXBMFYSA-N 1 2 288.395 1.884 20 30 CDEDLO C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000741148005 576539279 /nfs/dbraw/zinc/53/92/79/576539279.db2.gz GLKLOILSYMRTKZ-RYUDHWBXSA-N 1 2 268.357 1.095 20 30 CDEDLO C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000741148005 576539282 /nfs/dbraw/zinc/53/92/82/576539282.db2.gz GLKLOILSYMRTKZ-RYUDHWBXSA-N 1 2 268.357 1.095 20 30 CDEDLO Cc1ccc(S(=O)(=O)NN=C2C[C@H](C)[N@H+](C)C2)cc1 ZINC000761793926 576593627 /nfs/dbraw/zinc/59/36/27/576593627.db2.gz QIQGDCOZEYOTEA-NSHDSACASA-N 1 2 281.381 1.353 20 30 CDEDLO Cc1ccc(S(=O)(=O)NN=C2C[C@H](C)[N@@H+](C)C2)cc1 ZINC000761793926 576593625 /nfs/dbraw/zinc/59/36/25/576593625.db2.gz QIQGDCOZEYOTEA-NSHDSACASA-N 1 2 281.381 1.353 20 30 CDEDLO C#CCCCNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000743690208 576650920 /nfs/dbraw/zinc/65/09/20/576650920.db2.gz NBZOEHDOYUGFTG-UHFFFAOYSA-N 1 2 291.420 1.989 20 30 CDEDLO Cc1noc(CCCO[NH+]=C(N)c2ccc(F)cc2)n1 ZINC000763263042 576727546 /nfs/dbraw/zinc/72/75/46/576727546.db2.gz PDXGAAXYMYNRLJ-UHFFFAOYSA-N 1 2 278.287 1.787 20 30 CDEDLO C#CC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000753899999 576865302 /nfs/dbraw/zinc/86/53/02/576865302.db2.gz DJBRAXPKJOHCNQ-OAHLLOKOSA-N 1 2 272.348 1.118 20 30 CDEDLO C#CC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000753899998 576865385 /nfs/dbraw/zinc/86/53/85/576865385.db2.gz DJBRAXPKJOHCNQ-HNNXBMFYSA-N 1 2 272.348 1.118 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]Nc1ccc(C#N)cc1 ZINC000747633814 576877594 /nfs/dbraw/zinc/87/75/94/576877594.db2.gz WJNJLLHOTYZWFE-UHFFFAOYSA-N 1 2 268.280 1.385 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000747966638 576890578 /nfs/dbraw/zinc/89/05/78/576890578.db2.gz BTZNWHATNGIPKB-INIZCTEOSA-N 1 2 299.418 1.563 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000747966638 576890579 /nfs/dbraw/zinc/89/05/79/576890579.db2.gz BTZNWHATNGIPKB-INIZCTEOSA-N 1 2 299.418 1.563 20 30 CDEDLO Cc1ccn(C[N@@H+]2CCS[C@@H](C)CC2)c(=O)c1C#N ZINC000754880752 576920602 /nfs/dbraw/zinc/92/06/02/576920602.db2.gz BTJXYHXPSPLNEH-LBPRGKRZSA-N 1 2 277.393 1.813 20 30 CDEDLO Cc1ccn(C[N@H+]2CCS[C@@H](C)CC2)c(=O)c1C#N ZINC000754880752 576920603 /nfs/dbraw/zinc/92/06/03/576920603.db2.gz BTJXYHXPSPLNEH-LBPRGKRZSA-N 1 2 277.393 1.813 20 30 CDEDLO FC(F)(F)c1ccc(N=NCc2c[nH+]c[nH]2)nn1 ZINC000755815038 576962700 /nfs/dbraw/zinc/96/27/00/576962700.db2.gz DMZIJOHXEFDMEH-UHFFFAOYSA-N 1 2 256.191 1.665 20 30 CDEDLO FC(F)(F)c1ccc(N=NCc2c[nH]c[nH+]2)nn1 ZINC000755815038 576962701 /nfs/dbraw/zinc/96/27/01/576962701.db2.gz DMZIJOHXEFDMEH-UHFFFAOYSA-N 1 2 256.191 1.665 20 30 CDEDLO C[C@@H]1C[NH+](Cn2cccc(C#N)c2=O)C[C@@H](C)S1 ZINC000758225743 577085239 /nfs/dbraw/zinc/08/52/39/577085239.db2.gz UUFXUAYSXYBCMX-GHMZBOCLSA-N 1 2 263.366 1.503 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(CC)CC)C2)C1 ZINC000972272713 613210906 /nfs/dbraw/zinc/21/09/06/613210906.db2.gz MEKGXKAIIWHGQM-INIZCTEOSA-N 1 2 278.396 1.359 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(CC)CC)C2)C1 ZINC000972272713 613210907 /nfs/dbraw/zinc/21/09/07/613210907.db2.gz MEKGXKAIIWHGQM-INIZCTEOSA-N 1 2 278.396 1.359 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(C#N)c[nH]2)C1 ZINC000949854686 613296091 /nfs/dbraw/zinc/29/60/91/613296091.db2.gz SSCKNHSPEXBAOF-UHFFFAOYSA-N 1 2 272.352 1.609 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(C#N)[nH]2)C1 ZINC000949913268 613296434 /nfs/dbraw/zinc/29/64/34/613296434.db2.gz WSAHDQNGEWJUMP-UHFFFAOYSA-N 1 2 272.352 1.609 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2n[nH]c3c2CCC3)C1 ZINC000950718193 613297437 /nfs/dbraw/zinc/29/74/37/613297437.db2.gz SKBBQIONSHVHDC-UHFFFAOYSA-N 1 2 288.395 1.621 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnn(CCF)c2)C1 ZINC000950692235 613297512 /nfs/dbraw/zinc/29/75/12/613297512.db2.gz HEXHIOVCXMQRLO-UHFFFAOYSA-N 1 2 294.374 1.575 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)C2(CF)CCC2)CC1 ZINC000950587468 613315461 /nfs/dbraw/zinc/31/54/61/613315461.db2.gz UHYYPGIXTCGPKO-UHFFFAOYSA-N 1 2 254.349 1.847 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2[nH]cnc2CC)CC1 ZINC000957498715 613319403 /nfs/dbraw/zinc/31/94/03/613319403.db2.gz KJIQDKYWNWHRRX-UHFFFAOYSA-N 1 2 262.357 1.306 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cn3c(n2)CCCC3)CC1 ZINC000948610828 613321153 /nfs/dbraw/zinc/32/11/53/613321153.db2.gz MHGSFMXMPZUPLE-UHFFFAOYSA-N 1 2 288.395 1.553 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccncc2CC)CC1 ZINC000949002365 613321484 /nfs/dbraw/zinc/32/14/84/613321484.db2.gz SSGAJQYOYAQXGK-UHFFFAOYSA-N 1 2 273.380 1.978 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccncc2)C1 ZINC000969203055 613371835 /nfs/dbraw/zinc/37/18/35/613371835.db2.gz QFRNCXKLDZDVGG-LLVKDONJSA-N 1 2 279.771 1.884 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@]23C[C@H]2COC3)C1 ZINC000969705825 613372260 /nfs/dbraw/zinc/37/22/60/613372260.db2.gz FNAXYCAOEPLHGT-JKOKRWQUSA-N 1 2 284.787 1.212 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC000968705811 613377783 /nfs/dbraw/zinc/37/77/83/613377783.db2.gz GDUPBWCLPXIKQH-JOYOIKCWSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC000968705811 613377784 /nfs/dbraw/zinc/37/77/84/613377784.db2.gz GDUPBWCLPXIKQH-JOYOIKCWSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC000965618645 613378164 /nfs/dbraw/zinc/37/81/64/613378164.db2.gz AHDWBNXJHKXBID-TVQRCGJNSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC000965618645 613378165 /nfs/dbraw/zinc/37/81/65/613378165.db2.gz AHDWBNXJHKXBID-TVQRCGJNSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C)o3)C2)C1 ZINC000969877817 613393995 /nfs/dbraw/zinc/39/39/95/613393995.db2.gz JDUNZSZREJNLDJ-GFCCVEGCSA-N 1 2 290.367 1.425 20 30 CDEDLO O=C(NCC#C[C@H]1CCCCO1)c1cccc2[nH+]ccn21 ZINC000891124374 617368417 /nfs/dbraw/zinc/36/84/17/617368417.db2.gz JIVLHNZXWHDHAV-CYBMUJFWSA-N 1 2 283.331 1.637 20 30 CDEDLO CC#CCN1CC(N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000950628522 613527546 /nfs/dbraw/zinc/52/75/46/613527546.db2.gz ZSPMDYPGFWSMKV-UHFFFAOYSA-N 1 2 296.374 1.733 20 30 CDEDLO CC#CCN1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000950962741 613563084 /nfs/dbraw/zinc/56/30/84/613563084.db2.gz XBXQKLPBLVFBHS-AWEZNQCLSA-N 1 2 274.368 1.002 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2cccc3[nH]ccc32)CC1 ZINC000950654147 613568332 /nfs/dbraw/zinc/56/83/32/613568332.db2.gz VOFFJYMICBSFSG-UHFFFAOYSA-N 1 2 281.359 1.949 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ncccc2O)C1 ZINC000965940494 613593266 /nfs/dbraw/zinc/59/32/66/613593266.db2.gz HPWLJBBJTOUNOO-STQMWFEESA-N 1 2 287.363 1.251 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ncccc2O)C1 ZINC000965940494 613593267 /nfs/dbraw/zinc/59/32/67/613593267.db2.gz HPWLJBBJTOUNOO-STQMWFEESA-N 1 2 287.363 1.251 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2scnc2C)CC1 ZINC000956991135 613708396 /nfs/dbraw/zinc/70/83/96/613708396.db2.gz LYISDRGHUKIMJK-UHFFFAOYSA-N 1 2 279.409 1.714 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2C(=O)Nc3ccccc32)CC1 ZINC000957888458 613709031 /nfs/dbraw/zinc/70/90/31/613709031.db2.gz UYNJPRVPBCTRSR-CQSZACIVSA-N 1 2 299.374 1.443 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cn2ncc3ccccc32)CC1 ZINC000951784284 613710023 /nfs/dbraw/zinc/71/00/23/613710023.db2.gz SVRLPZPYPJZJFG-UHFFFAOYSA-N 1 2 284.363 1.367 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)C(F)(F)F)CC1 ZINC000949667509 613710041 /nfs/dbraw/zinc/71/00/41/613710041.db2.gz ZFADKPURXUMVJL-SECBINFHSA-N 1 2 250.264 1.515 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)c2cccnc2)CC1 ZINC000957365153 613712350 /nfs/dbraw/zinc/71/23/50/613712350.db2.gz AMGBQUPBEUESOS-CYBMUJFWSA-N 1 2 259.353 1.515 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2Oc3ccccc3[C@H]2C)CC1 ZINC000957918205 613714139 /nfs/dbraw/zinc/71/41/39/613714139.db2.gz XBFRJKIQKWBKDV-CJNGLKHVSA-N 1 2 286.375 1.881 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cn3ccc(C)cc3n2)CC1 ZINC000949146373 613717945 /nfs/dbraw/zinc/71/79/45/613717945.db2.gz HZOCMSFVICCBIR-UHFFFAOYSA-N 1 2 284.363 1.587 20 30 CDEDLO C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC000967158173 613775356 /nfs/dbraw/zinc/77/53/56/613775356.db2.gz UFWLYKRLCHQQRE-SMDDNHRTSA-N 1 2 288.395 1.525 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC000967158173 613775357 /nfs/dbraw/zinc/77/53/57/613775357.db2.gz UFWLYKRLCHQQRE-SMDDNHRTSA-N 1 2 288.395 1.525 20 30 CDEDLO CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CN(CC#N)C1 ZINC000950616179 614719463 /nfs/dbraw/zinc/71/94/63/614719463.db2.gz STUMCDUQAIKCBE-UHFFFAOYSA-N 1 2 283.335 1.233 20 30 CDEDLO CNC(=S)N(C)[NH+]=Cc1ccccc1N1CCOCC1 ZINC000841646550 617580485 /nfs/dbraw/zinc/58/04/85/617580485.db2.gz HYBMGOUQSVVWII-UHFFFAOYSA-N 1 2 292.408 1.293 20 30 CDEDLO C[N@H+](Cc1ccon1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971288140 616088046 /nfs/dbraw/zinc/08/80/46/616088046.db2.gz IKUAZOFHHGLDNV-CYBMUJFWSA-N 1 2 299.334 1.221 20 30 CDEDLO C[N@@H+](Cc1ccon1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971288140 616088047 /nfs/dbraw/zinc/08/80/47/616088047.db2.gz IKUAZOFHHGLDNV-CYBMUJFWSA-N 1 2 299.334 1.221 20 30 CDEDLO N#C[C@@H]1CSCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935236710 618086896 /nfs/dbraw/zinc/08/68/96/618086896.db2.gz ZVQPZNCHUQHEGK-SNVBAGLBSA-N 1 2 272.333 1.644 20 30 CDEDLO C=C1CCC(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000892871481 617847853 /nfs/dbraw/zinc/84/78/53/617847853.db2.gz RIUPROUTUINXGL-HNNXBMFYSA-N 1 2 278.396 1.666 20 30 CDEDLO C[C@H](C#N)C[NH2+]Cc1c2c(nn1C)CCSC2 ZINC000894452495 618893410 /nfs/dbraw/zinc/89/34/10/618893410.db2.gz FZZUSWUHZRDTBG-SECBINFHSA-N 1 2 250.371 1.459 20 30 CDEDLO C#C[C@H](C)[NH2+]Cc1cn(C)nc1I ZINC000894738120 619039050 /nfs/dbraw/zinc/03/90/50/619039050.db2.gz NIEUOZDYTIHZNH-ZETCQYMHSA-N 1 2 289.120 1.136 20 30 CDEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@H](OCC)C1)C(=O)OC ZINC000894855556 619101836 /nfs/dbraw/zinc/10/18/36/619101836.db2.gz UNPKWRFUYBQYDU-AGIUHOORSA-N 1 2 253.342 1.489 20 30 CDEDLO Cc1nc(C[NH2+][C@H]2CCCN(O)C2=O)sc1C ZINC000895193892 619443618 /nfs/dbraw/zinc/44/36/18/619443618.db2.gz VZEGNUBWKUZKTF-VIFPVBQESA-N 1 2 255.343 1.230 20 30 CDEDLO C[C@@H](Nc1nc(C#N)c(Cl)s1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000895246715 619491629 /nfs/dbraw/zinc/49/16/29/619491629.db2.gz PWVCRJCRPFKGRH-SCZZXKLOSA-N 1 2 299.831 1.714 20 30 CDEDLO C[C@@H](Nc1nc(C#N)c(Cl)s1)[C@@H]1CN(C)CC[N@H+]1C ZINC000895246715 619491632 /nfs/dbraw/zinc/49/16/32/619491632.db2.gz PWVCRJCRPFKGRH-SCZZXKLOSA-N 1 2 299.831 1.714 20 30 CDEDLO C=CCOCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000897350099 620535216 /nfs/dbraw/zinc/53/52/16/620535216.db2.gz ZUEYPARGKUUGKB-ZDUSSCGKSA-N 1 2 278.356 1.109 20 30 CDEDLO C=CCOCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897350099 620535219 /nfs/dbraw/zinc/53/52/19/620535219.db2.gz ZUEYPARGKUUGKB-ZDUSSCGKSA-N 1 2 278.356 1.109 20 30 CDEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCC(C)(C)C#N)[nH]n1 ZINC000897356173 620567519 /nfs/dbraw/zinc/56/75/19/620567519.db2.gz NYWQOKVFRYZNSU-LBPRGKRZSA-N 1 2 275.356 1.456 20 30 CDEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCC(C)(C)C#N)[nH]n1 ZINC000897356173 620567522 /nfs/dbraw/zinc/56/75/22/620567522.db2.gz NYWQOKVFRYZNSU-LBPRGKRZSA-N 1 2 275.356 1.456 20 30 CDEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCC2(CC#N)CC2)[nH]n1 ZINC000897633902 621041930 /nfs/dbraw/zinc/04/19/30/621041930.db2.gz ASZKGGMONOVDFH-CYBMUJFWSA-N 1 2 287.367 1.600 20 30 CDEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCC2(CC#N)CC2)[nH]n1 ZINC000897633902 621041933 /nfs/dbraw/zinc/04/19/33/621041933.db2.gz ASZKGGMONOVDFH-CYBMUJFWSA-N 1 2 287.367 1.600 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)cc1 ZINC000898668248 621835857 /nfs/dbraw/zinc/83/58/57/621835857.db2.gz GCXDZIQWOJDLCB-KBPBESRZSA-N 1 2 286.375 1.507 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1 ZINC000898668248 621835858 /nfs/dbraw/zinc/83/58/58/621835858.db2.gz GCXDZIQWOJDLCB-KBPBESRZSA-N 1 2 286.375 1.507 20 30 CDEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000907822434 627846029 /nfs/dbraw/zinc/84/60/29/627846029.db2.gz VRULEXXLIBAKKF-CQSZACIVSA-N 1 2 266.304 1.628 20 30 CDEDLO C=CCCC(=O)[C@@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000908659643 628319898 /nfs/dbraw/zinc/31/98/98/628319898.db2.gz KGNFCXMOMRSHPH-ZDUSSCGKSA-N 1 2 275.352 1.787 20 30 CDEDLO C[Si](C)(C)C#CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000912326944 629938223 /nfs/dbraw/zinc/93/82/23/629938223.db2.gz JAOIFWSWXACBKR-ZDUSSCGKSA-N 1 2 289.455 1.833 20 30 CDEDLO CC(C)(C#N)CS(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000914327346 631349562 /nfs/dbraw/zinc/34/95/62/631349562.db2.gz IGCJVKHGKXVSFD-UHFFFAOYSA-N 1 2 284.385 1.132 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2cc(C)on2)C1 ZINC001042549313 695271918 /nfs/dbraw/zinc/27/19/18/695271918.db2.gz CRFLSFJULGNIAN-UHFFFAOYSA-N 1 2 263.341 1.244 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2CC3(CC3)C2)C1 ZINC001031964611 695308331 /nfs/dbraw/zinc/30/83/31/695308331.db2.gz IBFGZNUBLDAZQQ-UHFFFAOYSA-N 1 2 268.788 1.977 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2scnc2C2CC2)C1 ZINC001015813196 695383570 /nfs/dbraw/zinc/38/35/70/695383570.db2.gz MIXWEEJXEWHRTD-LLVKDONJSA-N 1 2 275.377 1.458 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2scnc2C2CC2)C1 ZINC001015813196 695383571 /nfs/dbraw/zinc/38/35/71/695383571.db2.gz MIXWEEJXEWHRTD-LLVKDONJSA-N 1 2 275.377 1.458 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(F)cc2)C1 ZINC001042413919 695824998 /nfs/dbraw/zinc/82/49/98/695824998.db2.gz NOCNFQSWZAHLKF-UHFFFAOYSA-N 1 2 260.312 1.605 20 30 CDEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000830800053 695182281 /nfs/dbraw/zinc/18/22/81/695182281.db2.gz XLPWFFGPJPPCPP-TZMCWYRMSA-N 1 2 274.320 1.100 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001032676172 695230657 /nfs/dbraw/zinc/23/06/57/695230657.db2.gz HHRWVUVDJYKBCO-ZQDZILKHSA-N 1 2 258.365 1.341 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001032676172 695230668 /nfs/dbraw/zinc/23/06/68/695230668.db2.gz HHRWVUVDJYKBCO-ZQDZILKHSA-N 1 2 258.365 1.341 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2nc(C)n(C)c2c1 ZINC001038584768 695247286 /nfs/dbraw/zinc/24/72/86/695247286.db2.gz ATWMXXPAYGBDHC-AWEZNQCLSA-N 1 2 296.374 1.319 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2nc(C)n(C)c2c1 ZINC001038584768 695247298 /nfs/dbraw/zinc/24/72/98/695247298.db2.gz ATWMXXPAYGBDHC-AWEZNQCLSA-N 1 2 296.374 1.319 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCCN(C=O)CC2)c(Cl)c1 ZINC000839022555 695263213 /nfs/dbraw/zinc/26/32/13/695263213.db2.gz YAVZPGOFRDJTFY-UHFFFAOYSA-N 1 2 277.755 1.876 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCCN(C=O)CC2)c(Cl)c1 ZINC000839022555 695263216 /nfs/dbraw/zinc/26/32/16/695263216.db2.gz YAVZPGOFRDJTFY-UHFFFAOYSA-N 1 2 277.755 1.876 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cncc(C)c2)C1 ZINC001035327949 695269828 /nfs/dbraw/zinc/26/98/28/695269828.db2.gz OPRRMXJUHYCXGM-CQSZACIVSA-N 1 2 275.352 1.007 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cncc(C)c2)C1 ZINC001035327949 695269834 /nfs/dbraw/zinc/26/98/34/695269834.db2.gz OPRRMXJUHYCXGM-CQSZACIVSA-N 1 2 275.352 1.007 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2snnc2C)C1 ZINC001006703136 695271982 /nfs/dbraw/zinc/27/19/82/695271982.db2.gz KJBVWUBZOGRBNS-NSHDSACASA-N 1 2 278.381 1.064 20 30 CDEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2snnc2C)C1 ZINC001006703136 695271987 /nfs/dbraw/zinc/27/19/87/695271987.db2.gz KJBVWUBZOGRBNS-NSHDSACASA-N 1 2 278.381 1.064 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCn3cc(C)nc3C2)C1 ZINC001030525167 695279707 /nfs/dbraw/zinc/27/97/07/695279707.db2.gz BMYSNKRENYWFIT-ZDUSSCGKSA-N 1 2 288.395 1.130 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccnc2C(F)F)C1 ZINC001030653088 695280852 /nfs/dbraw/zinc/28/08/52/695280852.db2.gz NRQUVKGLTPJNDH-UHFFFAOYSA-N 1 2 279.290 1.457 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)C(C)(C)[C@@H]1c1cnn(C)c1)C1CC1 ZINC000808175776 695308371 /nfs/dbraw/zinc/30/83/71/695308371.db2.gz UXTBEYQBFIKWTH-AWEZNQCLSA-N 1 2 288.395 1.938 20 30 CDEDLO C=CC[N@H+](CN1C(=O)C(C)(C)[C@@H]1c1cnn(C)c1)C1CC1 ZINC000808175776 695308373 /nfs/dbraw/zinc/30/83/73/695308373.db2.gz UXTBEYQBFIKWTH-AWEZNQCLSA-N 1 2 288.395 1.938 20 30 CDEDLO C=CCC1(O)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000717852531 695312475 /nfs/dbraw/zinc/31/24/75/695312475.db2.gz OPMOHLPBBWVCEX-UHFFFAOYSA-N 1 2 263.341 1.203 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001038822208 695319599 /nfs/dbraw/zinc/31/95/99/695319599.db2.gz IMUKNFVTVQUEFR-WFASDCNBSA-N 1 2 284.359 1.447 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001038822208 695319600 /nfs/dbraw/zinc/31/96/00/695319600.db2.gz IMUKNFVTVQUEFR-WFASDCNBSA-N 1 2 284.359 1.447 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C(\C)c2ccccc2)CC1 ZINC000170813567 695319772 /nfs/dbraw/zinc/31/97/72/695319772.db2.gz BUVRYNNPOHEHAE-CCEZHUSRSA-N 1 2 268.360 1.867 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC13CC3)O2 ZINC001053670770 695326876 /nfs/dbraw/zinc/32/68/76/695326876.db2.gz VOEGPNWQSLNYAW-KBPBESRZSA-N 1 2 290.407 1.712 20 30 CDEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)co1 ZINC001027336426 695339576 /nfs/dbraw/zinc/33/95/76/695339576.db2.gz QHRIBRKEUOBAEU-SMDDNHRTSA-N 1 2 290.367 1.566 20 30 CDEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)co1 ZINC001027336426 695339579 /nfs/dbraw/zinc/33/95/79/695339579.db2.gz QHRIBRKEUOBAEU-SMDDNHRTSA-N 1 2 290.367 1.566 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH2+][C@H](C)c2nnc(C)o2)C1 ZINC001019238376 695355992 /nfs/dbraw/zinc/35/59/92/695355992.db2.gz YUVODQUKYFJMBG-PWSUYJOCSA-N 1 2 292.383 1.842 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CC[C@H](C)[C@@H](C)C2)c1=S ZINC000159946484 695356403 /nfs/dbraw/zinc/35/64/03/695356403.db2.gz VXZGPLBCVLDFKO-QWRGUYRKSA-N 1 2 267.402 1.930 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)c1=S ZINC000159946484 695356406 /nfs/dbraw/zinc/35/64/06/695356406.db2.gz VXZGPLBCVLDFKO-QWRGUYRKSA-N 1 2 267.402 1.930 20 30 CDEDLO CSc1ccc(C[NH2+]Cc2ncnn2C)cc1C#N ZINC000886277107 695367203 /nfs/dbraw/zinc/36/72/03/695367203.db2.gz HIYJDKDSTRPVBL-UHFFFAOYSA-N 1 2 273.365 1.698 20 30 CDEDLO Cc1cc(C)c(NC(=O)[C@H](C)O[NH+]=C(N)CCO)c(C)c1 ZINC000121403954 695380733 /nfs/dbraw/zinc/38/07/33/695380733.db2.gz MUVCRFMIDYFTLL-LBPRGKRZSA-N 1 2 293.367 1.610 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](C)C(C)(C)C1 ZINC000884332179 695382194 /nfs/dbraw/zinc/38/21/94/695382194.db2.gz HATGWZPONAHEOQ-RYUDHWBXSA-N 1 2 282.384 1.328 20 30 CDEDLO C#CC1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000826714551 695394079 /nfs/dbraw/zinc/39/40/79/695394079.db2.gz CSPOIGDVRIRUJV-UHFFFAOYSA-N 1 2 282.347 1.889 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(OC)c1F ZINC001038841234 695422876 /nfs/dbraw/zinc/42/28/76/695422876.db2.gz ZUGBBKAEYULKHO-LLVKDONJSA-N 1 2 276.311 1.272 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(OC)c1F ZINC001038841234 695422878 /nfs/dbraw/zinc/42/28/78/695422878.db2.gz ZUGBBKAEYULKHO-LLVKDONJSA-N 1 2 276.311 1.272 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2nccn21 ZINC001038514803 695443604 /nfs/dbraw/zinc/44/36/04/695443604.db2.gz ANYCNCBZNHRGGL-CYBMUJFWSA-N 1 2 282.347 1.162 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2nccn21 ZINC001038514803 695443614 /nfs/dbraw/zinc/44/36/14/695443614.db2.gz ANYCNCBZNHRGGL-CYBMUJFWSA-N 1 2 282.347 1.162 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(F)cc1C ZINC001038948422 695476177 /nfs/dbraw/zinc/47/61/77/695476177.db2.gz RPLDVIWBSCCVJP-AWEZNQCLSA-N 1 2 274.339 1.962 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(F)cc1C ZINC001038948422 695476179 /nfs/dbraw/zinc/47/61/79/695476179.db2.gz RPLDVIWBSCCVJP-AWEZNQCLSA-N 1 2 274.339 1.962 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc3c([nH]2)CCC3)C1 ZINC001044173301 695484597 /nfs/dbraw/zinc/48/45/97/695484597.db2.gz CIUCNTRCNQJIIS-UHFFFAOYSA-N 1 2 273.380 1.836 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2sc(C)nc2C)C1 ZINC001031360502 695498822 /nfs/dbraw/zinc/49/88/22/695498822.db2.gz AVRCGGAAPXBVSD-UHFFFAOYSA-N 1 2 265.382 1.750 20 30 CDEDLO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccns1 ZINC001024464527 695577394 /nfs/dbraw/zinc/57/73/94/695577394.db2.gz YDXKMVREYHLDPT-LBPRGKRZSA-N 1 2 277.393 1.751 20 30 CDEDLO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccns1 ZINC001024464527 695577403 /nfs/dbraw/zinc/57/74/03/695577403.db2.gz YDXKMVREYHLDPT-LBPRGKRZSA-N 1 2 277.393 1.751 20 30 CDEDLO C#C[C@@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000825728331 695616291 /nfs/dbraw/zinc/61/62/91/695616291.db2.gz TYNOBABVQMIDJR-UKRRQHHQSA-N 1 2 282.347 1.945 20 30 CDEDLO Nc1ncc(C=[NH+]Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000781571075 695636656 /nfs/dbraw/zinc/63/66/56/695636656.db2.gz GPJIUXVEIUVPAS-UHFFFAOYSA-N 1 2 258.241 1.413 20 30 CDEDLO CC[C@H](CC#N)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897400010 695650085 /nfs/dbraw/zinc/65/00/85/695650085.db2.gz FIYUVMRQTKBNPN-ZWNOBZJWSA-N 1 2 275.356 1.598 20 30 CDEDLO CC[C@H](CC#N)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897400010 695650090 /nfs/dbraw/zinc/65/00/90/695650090.db2.gz FIYUVMRQTKBNPN-ZWNOBZJWSA-N 1 2 275.356 1.598 20 30 CDEDLO N#C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000830066316 695661649 /nfs/dbraw/zinc/66/16/49/695661649.db2.gz RRUQOKWTMKXAFI-JTQLQIEISA-N 1 2 254.293 1.939 20 30 CDEDLO C[C@@H]1C[NH+](C[C@@H](O)CC2(C#N)CCC2)C[C@@H](C)S1=O ZINC000886168828 695759049 /nfs/dbraw/zinc/75/90/49/695759049.db2.gz ZYVKKXNDJKVGCP-UPJWGTAASA-N 1 2 284.425 1.273 20 30 CDEDLO C#C[C@H]([NH2+]Cc1nnc2n1CCCCC2)[C@@H]1CCCO1 ZINC000775789851 695772125 /nfs/dbraw/zinc/77/21/25/695772125.db2.gz FHSUDOIQZSDHMH-STQMWFEESA-N 1 2 274.368 1.275 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c3ccccc3nn2C)C1 ZINC001031198412 695812883 /nfs/dbraw/zinc/81/28/83/695812883.db2.gz HYYLYVCOIZOJFD-UHFFFAOYSA-N 1 2 282.347 1.011 20 30 CDEDLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@H+](CCCC#N)C1 ZINC000879763049 695844632 /nfs/dbraw/zinc/84/46/32/695844632.db2.gz LYTDGPCTNMUMAJ-SNVBAGLBSA-N 1 2 263.263 1.433 20 30 CDEDLO C=C1CC(C)(C(=O)N2CCOC3(C[NH+](CC)C3)C2)C1 ZINC001053418089 695813252 /nfs/dbraw/zinc/81/32/52/695813252.db2.gz MJTTVMDVSSNUIH-UHFFFAOYSA-N 1 2 264.369 1.276 20 30 CDEDLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@@H+](CCCC#N)C1 ZINC000879763049 695844634 /nfs/dbraw/zinc/84/46/34/695844634.db2.gz LYTDGPCTNMUMAJ-SNVBAGLBSA-N 1 2 263.263 1.433 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C2CC(OCC)C2)C1 ZINC001042672893 695814245 /nfs/dbraw/zinc/81/42/45/695814245.db2.gz RCZFEUTVSLUPFD-UHFFFAOYSA-N 1 2 252.358 1.130 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(F)cc2C)C1 ZINC001031287276 695816628 /nfs/dbraw/zinc/81/66/28/695816628.db2.gz LPSUIKMAIUNYSF-UHFFFAOYSA-N 1 2 260.312 1.571 20 30 CDEDLO CN(C)c1cc(F)c(C=[NH+]N2CCC[C@H]2CO)cc1F ZINC000863120326 695818349 /nfs/dbraw/zinc/81/83/49/695818349.db2.gz NMUBFTBSCNJEJW-NSHDSACASA-N 1 2 283.322 1.821 20 30 CDEDLO C=C[C@H](C)ONC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000845635560 695819522 /nfs/dbraw/zinc/81/95/22/695819522.db2.gz ZEHYOMVBQJZHKX-LBPRGKRZSA-N 1 2 275.352 1.808 20 30 CDEDLO C=CCOCC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882873379 695822470 /nfs/dbraw/zinc/82/24/70/695822470.db2.gz YOYPVIGVSMTYLO-OAHLLOKOSA-N 1 2 285.347 1.943 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(F)c(Cl)c1 ZINC001038644056 695829279 /nfs/dbraw/zinc/82/92/79/695829279.db2.gz PCAWUHCHBDIUTP-LLVKDONJSA-N 1 2 280.730 1.916 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(F)c(Cl)c1 ZINC001038644056 695829280 /nfs/dbraw/zinc/82/92/80/695829280.db2.gz PCAWUHCHBDIUTP-LLVKDONJSA-N 1 2 280.730 1.916 20 30 CDEDLO C=CC[NH2+][C@H]1CN(C(=O)C(F)C(F)(F)F)CC1(C)C ZINC000995851699 695829646 /nfs/dbraw/zinc/82/96/46/695829646.db2.gz YYIJUCDQSHLUHQ-IUCAKERBSA-N 1 2 282.281 1.899 20 30 CDEDLO C=CC[NH2+][C@H]1CN(C(=O)[C@H](F)C(F)(F)F)CC1(C)C ZINC000995851699 695829649 /nfs/dbraw/zinc/82/96/49/695829649.db2.gz YYIJUCDQSHLUHQ-IUCAKERBSA-N 1 2 282.281 1.899 20 30 CDEDLO C[C@H]1C[C@H](NCC#N)CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000989042130 695830643 /nfs/dbraw/zinc/83/06/43/695830643.db2.gz OPNHUBUPOOVUMB-JQWIXIFHSA-N 1 2 283.335 1.279 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@H]2OC)C1 ZINC001043145408 695834361 /nfs/dbraw/zinc/83/43/61/695834361.db2.gz YXHVHKCGBHMGMI-UONOGXRCSA-N 1 2 266.385 1.520 20 30 CDEDLO CCCCOCCNC(=O)CO[NH+]=C(N)c1ccccc1 ZINC000077570437 695854330 /nfs/dbraw/zinc/85/43/30/695854330.db2.gz KBOXXOMGGGIUMW-UHFFFAOYSA-N 1 2 293.367 1.256 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2cccnc21 ZINC001032593015 695857523 /nfs/dbraw/zinc/85/75/23/695857523.db2.gz YNQOACVGQUOQMP-SOUVJXGZSA-N 1 2 281.359 1.030 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2cccnc21 ZINC001032593015 695857524 /nfs/dbraw/zinc/85/75/24/695857524.db2.gz YNQOACVGQUOQMP-SOUVJXGZSA-N 1 2 281.359 1.030 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnc3c(c2)ncn3C)C1 ZINC001043512909 695875104 /nfs/dbraw/zinc/87/51/04/695875104.db2.gz HIQNRKRDIKREEC-UHFFFAOYSA-N 1 2 299.378 1.301 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1(CC)CC1)CCO2 ZINC001053411921 695875491 /nfs/dbraw/zinc/87/54/91/695875491.db2.gz OOTWQFFGJDUGGZ-UHFFFAOYSA-N 1 2 278.396 1.666 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)Nc1ccc(C)cc1 ZINC001032778004 695885524 /nfs/dbraw/zinc/88/55/24/695885524.db2.gz ZTPAKKMFINQQDI-GJZGRUSLSA-N 1 2 299.374 1.405 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)Nc1ccc(C)cc1 ZINC001032778004 695885525 /nfs/dbraw/zinc/88/55/25/695885525.db2.gz ZTPAKKMFINQQDI-GJZGRUSLSA-N 1 2 299.374 1.405 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(Cl)c1 ZINC001038944759 695888621 /nfs/dbraw/zinc/88/86/21/695888621.db2.gz HTCMOEVBBJZRLJ-ZDUSSCGKSA-N 1 2 262.740 1.777 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(Cl)c1 ZINC001038944759 695888623 /nfs/dbraw/zinc/88/86/23/695888623.db2.gz HTCMOEVBBJZRLJ-ZDUSSCGKSA-N 1 2 262.740 1.777 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001030531560 695891422 /nfs/dbraw/zinc/89/14/22/695891422.db2.gz PLDXZCHAQXDHSK-KRWDZBQOSA-N 1 2 282.387 1.930 20 30 CDEDLO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cnco1)CCO2 ZINC001053363678 695912401 /nfs/dbraw/zinc/91/24/01/695912401.db2.gz HXAFYJOLMMPZGT-UHFFFAOYSA-N 1 2 291.351 1.168 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2scnc2COC)C1 ZINC001033485576 695917238 /nfs/dbraw/zinc/91/72/38/695917238.db2.gz CQEPEWSRXQVBFA-NSHDSACASA-N 1 2 293.392 1.069 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2scnc2COC)C1 ZINC001033485576 695917244 /nfs/dbraw/zinc/91/72/44/695917244.db2.gz CQEPEWSRXQVBFA-NSHDSACASA-N 1 2 293.392 1.069 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC1(F)F ZINC001032469132 695932662 /nfs/dbraw/zinc/93/26/62/695932662.db2.gz XJNBFVNMTPUGNL-SRVKXCTJSA-N 1 2 268.307 1.340 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC1(F)F ZINC001032469132 695932663 /nfs/dbraw/zinc/93/26/63/695932663.db2.gz XJNBFVNMTPUGNL-SRVKXCTJSA-N 1 2 268.307 1.340 20 30 CDEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(F)(F)F ZINC001032396851 695938696 /nfs/dbraw/zinc/93/86/96/695938696.db2.gz HUBWVIJJNYSCCY-RYUDHWBXSA-N 1 2 286.297 1.637 20 30 CDEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(F)(F)F ZINC001032396851 695938698 /nfs/dbraw/zinc/93/86/98/695938698.db2.gz HUBWVIJJNYSCCY-RYUDHWBXSA-N 1 2 286.297 1.637 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC1(C)C)CO2 ZINC001053780252 695942179 /nfs/dbraw/zinc/94/21/79/695942179.db2.gz DXRKURJVUUBTMR-CHWSQXEVSA-N 1 2 278.396 1.568 20 30 CDEDLO C#CCOCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000851736192 695942499 /nfs/dbraw/zinc/94/24/99/695942499.db2.gz HHRBZNDFPXEVBS-UHFFFAOYSA-N 1 2 278.396 1.361 20 30 CDEDLO N#Cc1cc(C(=O)NC[C@H]2CC[N@H+]2C/C=C/Cl)c[nH]1 ZINC001038169712 695964125 /nfs/dbraw/zinc/96/41/25/695964125.db2.gz UYYUPFZOQDSRDN-DPXBUVRWSA-N 1 2 278.743 1.443 20 30 CDEDLO N#Cc1cc(C(=O)NC[C@H]2CC[N@@H+]2C/C=C/Cl)c[nH]1 ZINC001038169712 695964129 /nfs/dbraw/zinc/96/41/29/695964129.db2.gz UYYUPFZOQDSRDN-DPXBUVRWSA-N 1 2 278.743 1.443 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cnoc2)[C@@H]1C ZINC000993713240 695969228 /nfs/dbraw/zinc/96/92/28/695969228.db2.gz CINIYXBBWQUFAB-WCQYABFASA-N 1 2 297.786 1.939 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cnoc2)[C@@H]1C ZINC000993713240 695969230 /nfs/dbraw/zinc/96/92/30/695969230.db2.gz CINIYXBBWQUFAB-WCQYABFASA-N 1 2 297.786 1.939 20 30 CDEDLO CCCCc1noc(CO[NH+]=C(N)Cc2cccnc2)n1 ZINC000092916312 695992318 /nfs/dbraw/zinc/99/23/18/695992318.db2.gz OKLCOPGAMRZEKS-UHFFFAOYSA-N 1 2 289.339 1.839 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2nccc2C)C1 ZINC001015777925 695995415 /nfs/dbraw/zinc/99/54/15/695995415.db2.gz UGTIXCQBTUCJCS-GFCCVEGCSA-N 1 2 282.775 1.135 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2nccc2C)C1 ZINC001015777925 695995416 /nfs/dbraw/zinc/99/54/16/695995416.db2.gz UGTIXCQBTUCJCS-GFCCVEGCSA-N 1 2 282.775 1.135 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ncccc2CC)C1 ZINC001043179212 696001227 /nfs/dbraw/zinc/00/12/27/696001227.db2.gz RKLKUHSUWUHHAF-UHFFFAOYSA-N 1 2 271.364 1.424 20 30 CDEDLO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1snnc1CC ZINC001028007358 696013392 /nfs/dbraw/zinc/01/33/92/696013392.db2.gz IZEYYTMTUFIPQC-LLVKDONJSA-N 1 2 292.408 1.318 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1snnc1CC ZINC001028007358 696013399 /nfs/dbraw/zinc/01/33/99/696013399.db2.gz IZEYYTMTUFIPQC-LLVKDONJSA-N 1 2 292.408 1.318 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)c2ccccc2)C1 ZINC001031285949 696021388 /nfs/dbraw/zinc/02/13/88/696021388.db2.gz QWGWGUJZJHHHPA-CYBMUJFWSA-N 1 2 256.349 1.614 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(C)nc(C)c2)C1 ZINC001030375511 696025074 /nfs/dbraw/zinc/02/50/74/696025074.db2.gz PWZHBVSXGGSWAG-UHFFFAOYSA-N 1 2 259.353 1.689 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnsn1 ZINC001035015107 696058493 /nfs/dbraw/zinc/05/84/93/696058493.db2.gz VDUWLHLWZBSSNO-GFCCVEGCSA-N 1 2 294.424 1.831 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(F)ccc2CC)C1 ZINC001030608670 696072574 /nfs/dbraw/zinc/07/25/74/696072574.db2.gz SINJBYSKHSKTPN-UHFFFAOYSA-N 1 2 274.339 1.825 20 30 CDEDLO NC(Cc1ccccc1)=[NH+]OCC(=O)NC1CCCC1 ZINC000047255579 696077871 /nfs/dbraw/zinc/07/78/71/696077871.db2.gz VKPJPBDAHNAPDT-UHFFFAOYSA-N 1 2 275.352 1.577 20 30 CDEDLO C#CCC(C)(C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000855410747 696077954 /nfs/dbraw/zinc/07/79/54/696077954.db2.gz LNUURJSFCUDMOZ-CHWSQXEVSA-N 1 2 266.385 1.261 20 30 CDEDLO C#CCC(C)(C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000855410747 696077956 /nfs/dbraw/zinc/07/79/56/696077956.db2.gz LNUURJSFCUDMOZ-CHWSQXEVSA-N 1 2 266.385 1.261 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(C2CCC2)c1 ZINC001038256902 696098286 /nfs/dbraw/zinc/09/82/86/696098286.db2.gz VCFRFDLNSMSYAR-CQSZACIVSA-N 1 2 272.352 1.045 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(C2CCC2)c1 ZINC001038256902 696098289 /nfs/dbraw/zinc/09/82/89/696098289.db2.gz VCFRFDLNSMSYAR-CQSZACIVSA-N 1 2 272.352 1.045 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cncnc1 ZINC001027838417 696114187 /nfs/dbraw/zinc/11/41/87/696114187.db2.gz BKUBNABRFPBYPE-GFCCVEGCSA-N 1 2 280.759 1.423 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cncnc1 ZINC001027838417 696114191 /nfs/dbraw/zinc/11/41/91/696114191.db2.gz BKUBNABRFPBYPE-GFCCVEGCSA-N 1 2 280.759 1.423 20 30 CDEDLO COCC#CC[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000775858110 696138174 /nfs/dbraw/zinc/13/81/74/696138174.db2.gz GKOKRECSYWOIEU-UHFFFAOYSA-N 1 2 263.259 1.480 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cn2cc(C3CC3)cn2)C1 ZINC001043163800 696193737 /nfs/dbraw/zinc/19/37/37/696193737.db2.gz WZHLVSDDHZURIH-UHFFFAOYSA-N 1 2 274.368 1.089 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ncccc2O)[C@H]1C ZINC000993250986 696214663 /nfs/dbraw/zinc/21/46/63/696214663.db2.gz QZYFPMKUGTYYDT-VXGBXAGGSA-N 1 2 273.336 1.003 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ncccc2O)[C@H]1C ZINC000993250986 696214669 /nfs/dbraw/zinc/21/46/69/696214669.db2.gz QZYFPMKUGTYYDT-VXGBXAGGSA-N 1 2 273.336 1.003 20 30 CDEDLO NC(Cc1cccnc1)=[NH+]OCCCOCC(F)(F)F ZINC000137652173 696215330 /nfs/dbraw/zinc/21/53/30/696215330.db2.gz NUORDVYSMABKDI-UHFFFAOYSA-N 1 2 291.273 1.882 20 30 CDEDLO CC(C)C#CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cscn3)C[C@H]21 ZINC001114234249 1162457459 /nfs/dbraw/zinc/45/74/59/1162457459.db2.gz IIDFRAFSDGNBIK-NHAGDIPZSA-N 1 2 289.404 1.349 20 30 CDEDLO CC(C)C#CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cscn3)C[C@H]21 ZINC001114234249 1162457460 /nfs/dbraw/zinc/45/74/60/1162457460.db2.gz IIDFRAFSDGNBIK-NHAGDIPZSA-N 1 2 289.404 1.349 20 30 CDEDLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000805470627 1162572579 /nfs/dbraw/zinc/57/25/79/1162572579.db2.gz RWMVHQAXNVRKMJ-WFASDCNBSA-N 1 2 288.347 1.883 20 30 CDEDLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000805470627 1162572584 /nfs/dbraw/zinc/57/25/84/1162572584.db2.gz RWMVHQAXNVRKMJ-WFASDCNBSA-N 1 2 288.347 1.883 20 30 CDEDLO Cc1nccnc1C[NH+]1CCN(c2cccc(C#N)c2)CC1 ZINC001140938409 1159536623 /nfs/dbraw/zinc/53/66/23/1159536623.db2.gz OYIKZZXOCBCRGA-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)COCC)CC[C@H]1C ZINC001131797620 1163054830 /nfs/dbraw/zinc/05/48/30/1163054830.db2.gz LXSPWYAKZKATLZ-VXGBXAGGSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)COCC)CC[C@H]1C ZINC001131797620 1163054836 /nfs/dbraw/zinc/05/48/36/1163054836.db2.gz LXSPWYAKZKATLZ-VXGBXAGGSA-N 1 2 274.792 1.745 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2snnc2CC)[C@H]1CC ZINC001087646244 1160254621 /nfs/dbraw/zinc/25/46/21/1160254621.db2.gz UCZSTBQKPZPYIQ-NWDGAFQWSA-N 1 2 292.408 1.316 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2snnc2CC)[C@H]1CC ZINC001087646244 1160254629 /nfs/dbraw/zinc/25/46/29/1160254629.db2.gz UCZSTBQKPZPYIQ-NWDGAFQWSA-N 1 2 292.408 1.316 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC(C)(C)O)CC[C@@H]1C ZINC001132009066 1163142085 /nfs/dbraw/zinc/14/20/85/1163142085.db2.gz GAOMZWXIGPMSPE-RYUDHWBXSA-N 1 2 288.819 1.869 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC(C)(C)O)CC[C@@H]1C ZINC001132009066 1163142089 /nfs/dbraw/zinc/14/20/89/1163142089.db2.gz GAOMZWXIGPMSPE-RYUDHWBXSA-N 1 2 288.819 1.869 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1onc(C)c1C ZINC001085661478 1161950512 /nfs/dbraw/zinc/95/05/12/1161950512.db2.gz ZKLAQDHNDIYWLH-GFCCVEGCSA-N 1 2 261.325 1.071 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1onc(C)c1C ZINC001085661478 1161950515 /nfs/dbraw/zinc/95/05/15/1161950515.db2.gz ZKLAQDHNDIYWLH-GFCCVEGCSA-N 1 2 261.325 1.071 20 30 CDEDLO C[C@@H](Nc1ccc(C#N)nc1)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001113314955 1162153066 /nfs/dbraw/zinc/15/30/66/1162153066.db2.gz WQCKYVDYEUTGFC-MNOVXSKESA-N 1 2 298.350 1.224 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+](CCOC2CCC2)CC1 ZINC001113712828 1162264339 /nfs/dbraw/zinc/26/43/39/1162264339.db2.gz GPKJEWOZPVIHHI-AWEZNQCLSA-N 1 2 296.411 1.291 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)C(C)(C)C ZINC000812021724 1163575250 /nfs/dbraw/zinc/57/52/50/1163575250.db2.gz YSFUTVUIHFLGJL-OLZOCXBDSA-N 1 2 281.400 1.054 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)C(C)(C)C ZINC000812021724 1163575253 /nfs/dbraw/zinc/57/52/53/1163575253.db2.gz YSFUTVUIHFLGJL-OLZOCXBDSA-N 1 2 281.400 1.054 20 30 CDEDLO CC(C)OCCO[NH+]=Cc1cnc(N2CCOCC2)s1 ZINC000812239042 1163607202 /nfs/dbraw/zinc/60/72/02/1163607202.db2.gz LMFWNPHRVIRCDJ-UHFFFAOYSA-N 1 2 299.396 1.755 20 30 CDEDLO C[C@H](C#N)S(=O)(=O)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001193140339 1164387921 /nfs/dbraw/zinc/38/79/21/1164387921.db2.gz WEUVBIZCMDAGKM-YPMHNXCESA-N 1 2 295.364 1.167 20 30 CDEDLO C[C@H](C#N)C[NH2+]C1CC[NH+](CCCC(=O)[O-])CC1 ZINC001609630853 1165021028 /nfs/dbraw/zinc/02/10/28/1165021028.db2.gz HEMSEBPQDZTTRI-LLVKDONJSA-N 1 2 253.346 1.065 20 30 CDEDLO C#CCC1(O)CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000882525575 1166483256 /nfs/dbraw/zinc/48/32/56/1166483256.db2.gz GYEABSDVAQIAKT-UHFFFAOYSA-N 1 2 283.331 1.325 20 30 CDEDLO N#Cc1cnccc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001214004774 1167365866 /nfs/dbraw/zinc/36/58/66/1167365866.db2.gz RSIFXZYBUBLWQM-UHFFFAOYSA-N 1 2 281.319 1.350 20 30 CDEDLO N#Cc1ccc(C(=O)NCCc2[nH]cc[nH+]2)c(F)c1 ZINC001586295628 1172939831 /nfs/dbraw/zinc/93/98/31/1172939831.db2.gz RKMJRAMDMZQEHM-UHFFFAOYSA-N 1 2 258.256 1.393 20 30 CDEDLO Cc1nn(C)c(NC(=O)c2cccc3[nH+]ccn32)c1C#N ZINC001586990942 1172968280 /nfs/dbraw/zinc/96/82/80/1172968280.db2.gz KRHTWKJCPDQLQY-UHFFFAOYSA-N 1 2 280.291 1.500 20 30 CDEDLO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1nc(-c2nn[nH]n2)cs1 ZINC001589796639 1173183632 /nfs/dbraw/zinc/18/36/32/1173183632.db2.gz XLRZIRGYODANKT-QMMMGPOBSA-N 1 2 291.384 1.741 20 30 CDEDLO C=CCCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2nccn2C)C1 ZINC001752988661 1181485338 /nfs/dbraw/zinc/48/53/38/1181485338.db2.gz PITYPLXCAZCPBQ-CQSZACIVSA-N 1 2 290.411 1.809 20 30 CDEDLO C=CCCC(=O)N1CCC[C@@H]([N@H+](C)Cc2nccn2C)C1 ZINC001752988661 1181485343 /nfs/dbraw/zinc/48/53/43/1181485343.db2.gz PITYPLXCAZCPBQ-CQSZACIVSA-N 1 2 290.411 1.809 20 30 CDEDLO C#CCCCCC(=O)N(C)CC[NH+]1CCN(CCF)CC1 ZINC001753342409 1185163151 /nfs/dbraw/zinc/16/31/51/1185163151.db2.gz UCWWJDZTKPXNGD-UHFFFAOYSA-N 1 2 297.418 1.226 20 30 CDEDLO CC#CCCCC(=O)NC1C[NH+](CCOCC)C1 ZINC001753385164 1185180036 /nfs/dbraw/zinc/18/00/36/1185180036.db2.gz LCZFILWYCFRZAL-UHFFFAOYSA-N 1 2 252.358 1.017 20 30 CDEDLO CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@@H]1CCN(CC#N)C1 ZINC001753459597 1185220155 /nfs/dbraw/zinc/22/01/55/1185220155.db2.gz RRWRTASMXVKNMG-ZIAGYGMSSA-N 1 2 289.383 1.281 20 30 CDEDLO Cc1cn(C(C)(C)C(=O)NC[C@@H](NCC#N)C(C)C)c[nH+]1 ZINC001753833038 1185349600 /nfs/dbraw/zinc/34/96/00/1185349600.db2.gz ZPAGLNIGVSKKGN-CYBMUJFWSA-N 1 2 291.399 1.181 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)COc1ccc(CC)cc1 ZINC001754500281 1185646494 /nfs/dbraw/zinc/64/64/94/1185646494.db2.gz IIQLWSHRVREADR-HNNXBMFYSA-N 1 2 286.375 1.452 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)COc1ccc(CC)cc1 ZINC001754500281 1185646497 /nfs/dbraw/zinc/64/64/97/1185646497.db2.gz IIQLWSHRVREADR-HNNXBMFYSA-N 1 2 286.375 1.452 20 30 CDEDLO C=C1CC(C)(C(=O)NCC2([NH2+]Cc3nnc(C)[nH]3)CC2)C1 ZINC001754524357 1185658816 /nfs/dbraw/zinc/65/88/16/1185658816.db2.gz CJKLWZQKILGKFK-UHFFFAOYSA-N 1 2 289.383 1.208 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](CC)OCC)CCO2 ZINC001755049129 1185799536 /nfs/dbraw/zinc/79/95/36/1185799536.db2.gz QRYZGHVQEHVROO-AWEZNQCLSA-N 1 2 296.411 1.291 20 30 CDEDLO C[C@@H](CNC(=O)C#CC(C)(C)C)[N@H+](C)Cc1ccn(C)n1 ZINC001755299628 1185901399 /nfs/dbraw/zinc/90/13/99/1185901399.db2.gz FKNMTXCJGJZURY-ZDUSSCGKSA-N 1 2 290.411 1.406 20 30 CDEDLO C[C@@H](CNC(=O)C#CC(C)(C)C)[N@@H+](C)Cc1ccn(C)n1 ZINC001755299628 1185901400 /nfs/dbraw/zinc/90/14/00/1185901400.db2.gz FKNMTXCJGJZURY-ZDUSSCGKSA-N 1 2 290.411 1.406 20 30 CDEDLO C#Cc1ccc(C(=O)NC2(CCO)C[NH+](CC(=C)C)C2)cc1 ZINC001755335609 1185922775 /nfs/dbraw/zinc/92/27/75/1185922775.db2.gz OAYBHIDSCJAHAQ-UHFFFAOYSA-N 1 2 298.386 1.411 20 30 CDEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)C2(C)CCCC2)C1 ZINC001755335527 1185922990 /nfs/dbraw/zinc/92/29/90/1185922990.db2.gz LCXWVCUYULUMGF-UHFFFAOYSA-N 1 2 280.412 1.696 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H](C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001755974835 1186115762 /nfs/dbraw/zinc/11/57/62/1186115762.db2.gz UZFZMVRXWWUTFS-RYUDHWBXSA-N 1 2 292.383 1.318 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CCC(C)(C)C)C1 ZINC000885511344 725260396 /nfs/dbraw/zinc/26/03/96/725260396.db2.gz GGRIFSMVZMBCBF-ZDUSSCGKSA-N 1 2 286.441 1.440 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]N[C@@H]1CCCC1(C)C ZINC000782298868 725292475 /nfs/dbraw/zinc/29/24/75/725292475.db2.gz DBGGIMPLMVKKML-SNVBAGLBSA-N 1 2 263.345 1.570 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC001027311170 725376710 /nfs/dbraw/zinc/37/67/10/725376710.db2.gz KCCFHMQQFFSXCO-LLVKDONJSA-N 1 2 282.775 1.699 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC001027311170 725376712 /nfs/dbraw/zinc/37/67/12/725376712.db2.gz KCCFHMQQFFSXCO-LLVKDONJSA-N 1 2 282.775 1.699 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cn3c(cccc3C)n2)C1 ZINC001031366329 724388443 /nfs/dbraw/zinc/38/84/43/724388443.db2.gz JNUDKDYLBYEAIJ-UHFFFAOYSA-N 1 2 284.363 1.633 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncccc1CC ZINC001038430348 724398648 /nfs/dbraw/zinc/39/86/48/724398648.db2.gz MJZPRMDYFGQOEL-CYBMUJFWSA-N 1 2 257.337 1.081 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncccc1CC ZINC001038430348 724398650 /nfs/dbraw/zinc/39/86/50/724398650.db2.gz MJZPRMDYFGQOEL-CYBMUJFWSA-N 1 2 257.337 1.081 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccncc1C ZINC001050918018 724401738 /nfs/dbraw/zinc/40/17/38/724401738.db2.gz RUNZYVMMHMOJAG-AWEZNQCLSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccncc1C ZINC001050918018 724401742 /nfs/dbraw/zinc/40/17/42/724401742.db2.gz RUNZYVMMHMOJAG-AWEZNQCLSA-N 1 2 289.379 1.397 20 30 CDEDLO C[C@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)c1ncccn1 ZINC000882986449 724409422 /nfs/dbraw/zinc/40/94/22/724409422.db2.gz YROVVDSUEAJZLA-JTQLQIEISA-N 1 2 284.319 1.810 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ncccn2)C1 ZINC001034453115 724423599 /nfs/dbraw/zinc/42/35/99/724423599.db2.gz LDVAAFKDEFJCKC-LBPRGKRZSA-N 1 2 294.786 1.813 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ncccn2)C1 ZINC001034453115 724423604 /nfs/dbraw/zinc/42/36/04/724423604.db2.gz LDVAAFKDEFJCKC-LBPRGKRZSA-N 1 2 294.786 1.813 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccc2occc21 ZINC001032532524 724426469 /nfs/dbraw/zinc/42/64/69/724426469.db2.gz FRSRFBWNQMNLKM-RYUDHWBXSA-N 1 2 281.315 1.360 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccc2occc21 ZINC001032532524 724426470 /nfs/dbraw/zinc/42/64/70/724426470.db2.gz FRSRFBWNQMNLKM-RYUDHWBXSA-N 1 2 281.315 1.360 20 30 CDEDLO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1snnc1C ZINC001024324126 723695383 /nfs/dbraw/zinc/69/53/83/723695383.db2.gz NWZYBHFMHVGECO-LLVKDONJSA-N 1 2 278.381 1.064 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1snnc1C ZINC001024324126 723695384 /nfs/dbraw/zinc/69/53/84/723695384.db2.gz NWZYBHFMHVGECO-LLVKDONJSA-N 1 2 278.381 1.064 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc(C)no1)CCO2 ZINC001053153519 723716116 /nfs/dbraw/zinc/71/61/16/723716116.db2.gz FFPWAOLIIAJGLA-UHFFFAOYSA-N 1 2 291.351 1.086 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000923160440 723706733 /nfs/dbraw/zinc/70/67/33/723706733.db2.gz IUPSPQCYMJQTOE-AAEUAGOBSA-N 1 2 262.309 1.688 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnn3ccc(C)cc23)C1 ZINC001030476398 723721715 /nfs/dbraw/zinc/72/17/15/723721715.db2.gz FIMKTEINMAQAJB-UHFFFAOYSA-N 1 2 282.347 1.080 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2cccc3cccnc32)C1 ZINC001030766263 723722198 /nfs/dbraw/zinc/72/21/98/723722198.db2.gz RHNPLCJOYJKWJC-UHFFFAOYSA-N 1 2 293.370 1.601 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1nccs1 ZINC000960498225 723724724 /nfs/dbraw/zinc/72/47/24/723724724.db2.gz CNGSKPYMPQMYPF-NEPJUHHUSA-N 1 2 292.408 1.726 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nccs1 ZINC000960498225 723724725 /nfs/dbraw/zinc/72/47/25/723724725.db2.gz CNGSKPYMPQMYPF-NEPJUHHUSA-N 1 2 292.408 1.726 20 30 CDEDLO CC#CCCCC(=O)O[C@@H](COC)C[N@@H+]1CCO[C@@H](C)C1 ZINC000842972944 723729409 /nfs/dbraw/zinc/72/94/09/723729409.db2.gz JURNLBJNGVDJNW-LSDHHAIUSA-N 1 2 297.395 1.459 20 30 CDEDLO CC#CCCCC(=O)O[C@@H](COC)C[N@H+]1CCO[C@@H](C)C1 ZINC000842972944 723729410 /nfs/dbraw/zinc/72/94/10/723729410.db2.gz JURNLBJNGVDJNW-LSDHHAIUSA-N 1 2 297.395 1.459 20 30 CDEDLO N#CCc1ccccc1CC(=O)NCCc1[nH]cc[nH+]1 ZINC000777394978 723742264 /nfs/dbraw/zinc/74/22/64/723742264.db2.gz UKOYKQGAVBJGOO-UHFFFAOYSA-N 1 2 268.320 1.377 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+]Cc1nc2ccccc2o1 ZINC000877195008 723742939 /nfs/dbraw/zinc/74/29/39/723742939.db2.gz AIOIXBBTSKGXRW-UHFFFAOYSA-N 1 2 280.349 1.518 20 30 CDEDLO Cc1[nH]c(CN2CCN(C3CC3)[C@@H](C#N)C2)[nH+]c1C ZINC000862243075 723745780 /nfs/dbraw/zinc/74/57/80/723745780.db2.gz BSUHJYNMESBVAW-ZDUSSCGKSA-N 1 2 259.357 1.199 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccn(C(C)(C)C)n2)CC1 ZINC000847417123 723753508 /nfs/dbraw/zinc/75/35/08/723753508.db2.gz WOUKLHCVAJKZMC-UHFFFAOYSA-N 1 2 288.395 1.419 20 30 CDEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C1CC1 ZINC001037979820 723760033 /nfs/dbraw/zinc/76/00/33/723760033.db2.gz HMTLZAQOOIBOEC-MRXNPFEDSA-N 1 2 268.360 1.639 20 30 CDEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)C1CC1 ZINC001037979820 723760034 /nfs/dbraw/zinc/76/00/34/723760034.db2.gz HMTLZAQOOIBOEC-MRXNPFEDSA-N 1 2 268.360 1.639 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)cc(C#N)c1 ZINC000837138794 723760337 /nfs/dbraw/zinc/76/03/37/723760337.db2.gz JNYFOJRPTUHSJR-HNNXBMFYSA-N 1 2 267.332 1.903 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)cc(C#N)c1 ZINC000837138794 723760339 /nfs/dbraw/zinc/76/03/39/723760339.db2.gz JNYFOJRPTUHSJR-HNNXBMFYSA-N 1 2 267.332 1.903 20 30 CDEDLO C=CCN1CC[C@@H](O[NH+]=C(N)c2ccccc2)C1=O ZINC000883048493 723775894 /nfs/dbraw/zinc/77/58/94/723775894.db2.gz PRJGMLRWKNTOQB-GFCCVEGCSA-N 1 2 259.309 1.320 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]nc2C(C)C)C1 ZINC001035429700 723763581 /nfs/dbraw/zinc/76/35/81/723763581.db2.gz RMUCOIIQAMAORT-GFCCVEGCSA-N 1 2 292.383 1.150 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2c[nH]nc2C(C)C)C1 ZINC001035429700 723763583 /nfs/dbraw/zinc/76/35/83/723763583.db2.gz RMUCOIIQAMAORT-GFCCVEGCSA-N 1 2 292.383 1.150 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001039040742 723764610 /nfs/dbraw/zinc/76/46/10/723764610.db2.gz UTXSUWFWSXJYBF-NPCAHTBFSA-N 1 2 260.381 1.781 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001039040742 723764612 /nfs/dbraw/zinc/76/46/12/723764612.db2.gz UTXSUWFWSXJYBF-NPCAHTBFSA-N 1 2 260.381 1.781 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccn(C(C)C)n2)C1 ZINC001043992615 723766050 /nfs/dbraw/zinc/76/60/50/723766050.db2.gz QAUSBSTVZYHCQK-UHFFFAOYSA-N 1 2 274.368 1.244 20 30 CDEDLO C#CCOCC[NH2+][C@H](C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000851909175 723770323 /nfs/dbraw/zinc/77/03/23/723770323.db2.gz YAGYMLRGTSRBIM-STQMWFEESA-N 1 2 269.385 1.982 20 30 CDEDLO C=CC[NH2+]C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000996621718 723771410 /nfs/dbraw/zinc/77/14/10/723771410.db2.gz SIVSINKPNFZAJT-SECBINFHSA-N 1 2 268.254 1.653 20 30 CDEDLO C=CC[NH2+]C1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000996621718 723771413 /nfs/dbraw/zinc/77/14/13/723771413.db2.gz SIVSINKPNFZAJT-SECBINFHSA-N 1 2 268.254 1.653 20 30 CDEDLO CCC(=O)N(C)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001042385636 723772222 /nfs/dbraw/zinc/77/22/22/723772222.db2.gz SWCIFJPTTFKEGA-UHFFFAOYSA-N 1 2 287.363 1.642 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2C[C@@]2(C)C(C)C)C1 ZINC001044125115 723772615 /nfs/dbraw/zinc/77/26/15/723772615.db2.gz VVHAFZMSFAZNCD-HIFRSBDPSA-N 1 2 250.386 1.997 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C)nc(OC)c2)C1 ZINC001043659076 723785342 /nfs/dbraw/zinc/78/53/42/723785342.db2.gz MUXBNPYJVTWUAQ-UHFFFAOYSA-N 1 2 289.379 1.731 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC13CCC3)CO2 ZINC001053941814 723785633 /nfs/dbraw/zinc/78/56/33/723785633.db2.gz GFLGIPQMBYGKEX-UONOGXRCSA-N 1 2 288.391 1.159 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001038285862 723797153 /nfs/dbraw/zinc/79/71/53/723797153.db2.gz FOWBRINBHYUEOZ-GJZGRUSLSA-N 1 2 260.381 1.947 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001038285862 723797159 /nfs/dbraw/zinc/79/71/59/723797159.db2.gz FOWBRINBHYUEOZ-GJZGRUSLSA-N 1 2 260.381 1.947 20 30 CDEDLO N#CCc1cccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)n1 ZINC000882472493 723829553 /nfs/dbraw/zinc/82/95/53/723829553.db2.gz ACNMLUIFIXVHNT-NSHDSACASA-N 1 2 281.319 1.545 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000836878651 723809682 /nfs/dbraw/zinc/80/96/82/723809682.db2.gz ASATXRQNFRFKOT-YPMHNXCESA-N 1 2 271.320 1.798 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccnn2C(C)C)C1 ZINC001035384478 723810504 /nfs/dbraw/zinc/81/05/04/723810504.db2.gz MHIUVORYGMGXNW-ZDUSSCGKSA-N 1 2 292.383 1.081 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccnn2C(C)C)C1 ZINC001035384478 723810505 /nfs/dbraw/zinc/81/05/05/723810505.db2.gz MHIUVORYGMGXNW-ZDUSSCGKSA-N 1 2 292.383 1.081 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2c1O[C@H](C)C2 ZINC001038542413 723817846 /nfs/dbraw/zinc/81/78/46/723817846.db2.gz LOQLZLPDPFSKCK-TZMCWYRMSA-N 1 2 284.359 1.447 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2c1O[C@H](C)C2 ZINC001038542413 723817847 /nfs/dbraw/zinc/81/78/47/723817847.db2.gz LOQLZLPDPFSKCK-TZMCWYRMSA-N 1 2 284.359 1.447 20 30 CDEDLO CC#CC[NH+]1CCC(C)(NC(=O)c2[nH]ncc2F)CC1 ZINC001045546911 723844665 /nfs/dbraw/zinc/84/46/65/723844665.db2.gz AQCUUWJZYOHDCG-UHFFFAOYSA-N 1 2 278.331 1.156 20 30 CDEDLO N#CC1CC[NH+](CN2C(=O)[C@@]3(CCCO3)[C@@H]2C2CC2)CC1 ZINC000839979589 723846023 /nfs/dbraw/zinc/84/60/23/723846023.db2.gz MNHIQHFQUHQJCQ-GOEBONIOSA-N 1 2 289.379 1.349 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2Cc3ccccc3O2)C1 ZINC001030362038 723855990 /nfs/dbraw/zinc/85/59/90/723855990.db2.gz IRBSRCPFOTZJNM-HNNXBMFYSA-N 1 2 284.359 1.204 20 30 CDEDLO C#CCCN(CCOC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000822280747 723859843 /nfs/dbraw/zinc/85/98/43/723859843.db2.gz BUMUOJPPKJCDAQ-UHFFFAOYSA-N 1 2 275.352 1.624 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)n2cccn2)C1 ZINC001010286825 723870272 /nfs/dbraw/zinc/87/02/72/723870272.db2.gz OXHQBMBOYGHFQV-RYUDHWBXSA-N 1 2 282.775 1.387 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)n2cccn2)C1 ZINC001010286825 723870274 /nfs/dbraw/zinc/87/02/74/723870274.db2.gz OXHQBMBOYGHFQV-RYUDHWBXSA-N 1 2 282.775 1.387 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn([C@H](C)CC)c1C ZINC001038901494 723876694 /nfs/dbraw/zinc/87/66/94/723876694.db2.gz UZWJWQYWOMBNQI-OCCSQVGLSA-N 1 2 288.395 1.600 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn([C@H](C)CC)c1C ZINC001038901494 723876699 /nfs/dbraw/zinc/87/66/99/723876699.db2.gz UZWJWQYWOMBNQI-OCCSQVGLSA-N 1 2 288.395 1.600 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C(F)=C(C)C)C[C@@H]21 ZINC001074211895 723885595 /nfs/dbraw/zinc/88/55/95/723885595.db2.gz HAOPUURSZIHTPR-KBPBESRZSA-N 1 2 294.370 1.575 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(F)=C(C)C)C[C@@H]21 ZINC001074211895 723885599 /nfs/dbraw/zinc/88/55/99/723885599.db2.gz HAOPUURSZIHTPR-KBPBESRZSA-N 1 2 294.370 1.575 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cn3cc(C)ccc3n2)C1 ZINC001030519721 723890430 /nfs/dbraw/zinc/89/04/30/723890430.db2.gz RKCZWBNSDJTJHV-UHFFFAOYSA-N 1 2 284.363 1.633 20 30 CDEDLO C#CCCCCCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000803514547 723949779 /nfs/dbraw/zinc/94/97/79/723949779.db2.gz HNQZQJJMMWTTRI-CVEARBPZSA-N 1 2 292.423 1.892 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3c[nH]nc3C)[C@@H]2C1 ZINC001076111049 723953982 /nfs/dbraw/zinc/95/39/82/723953982.db2.gz IFRIIGRTZDPWAX-WCQYABFASA-N 1 2 294.786 1.617 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]nc3C)[C@@H]2C1 ZINC001076111049 723953992 /nfs/dbraw/zinc/95/39/92/723953992.db2.gz IFRIIGRTZDPWAX-WCQYABFASA-N 1 2 294.786 1.617 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@](C)(NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001046440816 723967541 /nfs/dbraw/zinc/96/75/41/723967541.db2.gz VQLYSTSZLSWVKG-MRXNPFEDSA-N 1 2 286.379 1.116 20 30 CDEDLO CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001046440816 723967544 /nfs/dbraw/zinc/96/75/44/723967544.db2.gz VQLYSTSZLSWVKG-MRXNPFEDSA-N 1 2 286.379 1.116 20 30 CDEDLO CC(C)C[N@H+](CCC#N)Cc1cccc(S(N)(=O)=O)c1 ZINC000876530434 723984553 /nfs/dbraw/zinc/98/45/53/723984553.db2.gz QTDMBGGONXUKPP-UHFFFAOYSA-N 1 2 295.408 1.706 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)Cc1cccc(S(N)(=O)=O)c1 ZINC000876530434 723984558 /nfs/dbraw/zinc/98/45/58/723984558.db2.gz QTDMBGGONXUKPP-UHFFFAOYSA-N 1 2 295.408 1.706 20 30 CDEDLO C=CCN1CCN(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)C1=O ZINC000840073916 724011729 /nfs/dbraw/zinc/01/17/29/724011729.db2.gz MUMGWAXQCZRIFJ-KBPBESRZSA-N 1 2 293.411 1.757 20 30 CDEDLO C=CCN1CCN(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)C1=O ZINC000840073916 724011730 /nfs/dbraw/zinc/01/17/30/724011730.db2.gz MUMGWAXQCZRIFJ-KBPBESRZSA-N 1 2 293.411 1.757 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H](F)C2)C1 ZINC001042709509 724025432 /nfs/dbraw/zinc/02/54/32/724025432.db2.gz SNJBMFQWFJHVKL-NWDGAFQWSA-N 1 2 254.349 1.843 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(N2CC=CC2)cc1 ZINC001038693862 724039538 /nfs/dbraw/zinc/03/95/38/724039538.db2.gz NUVWXCYVKRGBSK-KRWDZBQOSA-N 1 2 295.386 1.500 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N2CC=CC2)cc1 ZINC001038693862 724039540 /nfs/dbraw/zinc/03/95/40/724039540.db2.gz NUVWXCYVKRGBSK-KRWDZBQOSA-N 1 2 295.386 1.500 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(CC)o2)C1 ZINC001035415462 724042313 /nfs/dbraw/zinc/04/23/13/724042313.db2.gz DVIRVILYFCXEMT-CQSZACIVSA-N 1 2 290.363 1.296 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccc(CC)o2)C1 ZINC001035415462 724042316 /nfs/dbraw/zinc/04/23/16/724042316.db2.gz DVIRVILYFCXEMT-CQSZACIVSA-N 1 2 290.363 1.296 20 30 CDEDLO CCOC(=O)c1ccc(C=NNc2[nH+]ccn2C)[nH]1 ZINC000872369426 724045594 /nfs/dbraw/zinc/04/55/94/724045594.db2.gz COQYXXHEAXXQNZ-UHFFFAOYSA-N 1 2 261.285 1.371 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccc3c(c2)CCN3C)C1 ZINC001044149470 724046655 /nfs/dbraw/zinc/04/66/55/724046655.db2.gz VZWPXOPSTBVDAE-UHFFFAOYSA-N 1 2 285.391 1.621 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cnn(C)c2C)C1 ZINC001014679881 724046813 /nfs/dbraw/zinc/04/68/13/724046813.db2.gz SRXZTOZNKUZVJR-CYBMUJFWSA-N 1 2 296.802 1.214 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnn(C)c2C)C1 ZINC001014679881 724046816 /nfs/dbraw/zinc/04/68/16/724046816.db2.gz SRXZTOZNKUZVJR-CYBMUJFWSA-N 1 2 296.802 1.214 20 30 CDEDLO CC(=[NH+]Nc1cnnn1C)c1cc([N+](=O)[O-])ccc1N ZINC000814979595 724047239 /nfs/dbraw/zinc/04/72/39/724047239.db2.gz NTFSXUPTXIOWCG-UHFFFAOYSA-N 1 2 275.272 1.142 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(Cl)s1 ZINC001032670210 724075909 /nfs/dbraw/zinc/07/59/09/724075909.db2.gz QEYNVINSFJBMQD-QWRGUYRKSA-N 1 2 294.807 1.862 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(Cl)s1 ZINC001032670210 724075913 /nfs/dbraw/zinc/07/59/13/724075913.db2.gz QEYNVINSFJBMQD-QWRGUYRKSA-N 1 2 294.807 1.862 20 30 CDEDLO Cc1noc(C)c1C[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000843393949 724076079 /nfs/dbraw/zinc/07/60/79/724076079.db2.gz DGWDPENJDOWURN-UHFFFAOYSA-N 1 2 296.334 1.838 20 30 CDEDLO Cc1noc(C)c1C[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000843393949 724076083 /nfs/dbraw/zinc/07/60/83/724076083.db2.gz DGWDPENJDOWURN-UHFFFAOYSA-N 1 2 296.334 1.838 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2n(c1)CCCC2 ZINC001039095631 724076268 /nfs/dbraw/zinc/07/62/68/724076268.db2.gz JHIXUYSQVGSNNS-HNNXBMFYSA-N 1 2 271.364 1.262 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2n(c1)CCCC2 ZINC001039095631 724076273 /nfs/dbraw/zinc/07/62/73/724076273.db2.gz JHIXUYSQVGSNNS-HNNXBMFYSA-N 1 2 271.364 1.262 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ncc(C)cc2OC)C1 ZINC001042951767 724105752 /nfs/dbraw/zinc/10/57/52/724105752.db2.gz RROMSLAEQCXLGC-UHFFFAOYSA-N 1 2 287.363 1.178 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)[nH]c1C ZINC001032651997 724108538 /nfs/dbraw/zinc/10/85/38/724108538.db2.gz LITIBTVCOJALGM-KBPBESRZSA-N 1 2 271.364 1.554 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)[nH]c1C ZINC001032651997 724108541 /nfs/dbraw/zinc/10/85/41/724108541.db2.gz LITIBTVCOJALGM-KBPBESRZSA-N 1 2 271.364 1.554 20 30 CDEDLO CCOC1CC2(C1)CC[N@H+](Cn1cccc(C#N)c1=O)C2 ZINC000795719966 724220017 /nfs/dbraw/zinc/22/00/17/724220017.db2.gz FMEBOGIIAIOZPW-UHFFFAOYSA-N 1 2 287.363 1.568 20 30 CDEDLO CCOC1CC2(C1)CC[N@@H+](Cn1cccc(C#N)c1=O)C2 ZINC000795719966 724220029 /nfs/dbraw/zinc/22/00/29/724220029.db2.gz FMEBOGIIAIOZPW-UHFFFAOYSA-N 1 2 287.363 1.568 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(F)c1 ZINC001038029380 724220321 /nfs/dbraw/zinc/22/03/21/724220321.db2.gz ZQVRXZCAPMLBFC-AWEZNQCLSA-N 1 2 260.312 1.653 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(F)c1 ZINC001038029380 724220330 /nfs/dbraw/zinc/22/03/30/724220330.db2.gz ZQVRXZCAPMLBFC-AWEZNQCLSA-N 1 2 260.312 1.653 20 30 CDEDLO Cn1nncc1N[NH+]=C1CCCCc2ccc(N)cc21 ZINC000817329233 724269955 /nfs/dbraw/zinc/26/99/55/724269955.db2.gz JIGNUBPVICBQBB-UHFFFAOYSA-N 1 2 270.340 1.940 20 30 CDEDLO Cc1ccc(C#N)cc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000935487493 724279201 /nfs/dbraw/zinc/27/92/01/724279201.db2.gz BCMBCAXNJAHYCE-ZDUSSCGKSA-N 1 2 280.331 1.808 20 30 CDEDLO C#C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000843968674 724319594 /nfs/dbraw/zinc/31/95/94/724319594.db2.gz YXAMPXAGBKVXNH-HUUCEWRRSA-N 1 2 279.343 1.936 20 30 CDEDLO N#CCOc1cccc(CC(=O)OCCCn2cc[nH+]c2)c1 ZINC000784420712 724341135 /nfs/dbraw/zinc/34/11/35/724341135.db2.gz HANNLXLZPHRQNU-UHFFFAOYSA-N 1 2 299.330 1.961 20 30 CDEDLO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001075821236 724346532 /nfs/dbraw/zinc/34/65/32/724346532.db2.gz KAWOZOSFVBZVGE-HBNTYKKESA-N 1 2 294.292 1.996 20 30 CDEDLO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001075821236 724346539 /nfs/dbraw/zinc/34/65/39/724346539.db2.gz KAWOZOSFVBZVGE-HBNTYKKESA-N 1 2 294.292 1.996 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C2SCCCS2)C1 ZINC000923553808 724375459 /nfs/dbraw/zinc/37/54/59/724375459.db2.gz CFEOUACMKOLKTK-NSHDSACASA-N 1 2 284.450 1.396 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C2SCCCS2)C1 ZINC000923553808 724375461 /nfs/dbraw/zinc/37/54/61/724375461.db2.gz CFEOUACMKOLKTK-NSHDSACASA-N 1 2 284.450 1.396 20 30 CDEDLO C=C(C)[C@H](CC(=O)O[C@H](C)C[NH+]1CCOCC1)OCC ZINC000784914282 724445838 /nfs/dbraw/zinc/44/58/38/724445838.db2.gz NCHMOGJISRUXBB-KGLIPLIRSA-N 1 2 285.384 1.622 20 30 CDEDLO C#C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC000844146829 724446275 /nfs/dbraw/zinc/44/62/75/724446275.db2.gz QQHDHJCQKBNFNL-GOEBONIOSA-N 1 2 279.343 1.936 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]cc2ncnc1-2 ZINC001032416508 724460614 /nfs/dbraw/zinc/46/06/14/724460614.db2.gz HRPYLOJIEDLRJA-QWRGUYRKSA-N 1 2 283.335 1.043 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]cc2ncnc1-2 ZINC001032416508 724460618 /nfs/dbraw/zinc/46/06/18/724460618.db2.gz HRPYLOJIEDLRJA-QWRGUYRKSA-N 1 2 283.335 1.043 20 30 CDEDLO C[C@@H]1C(=NNS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000811645032 724467685 /nfs/dbraw/zinc/46/76/85/724467685.db2.gz VTEAHFQUFBKZQW-LLVKDONJSA-N 1 2 281.381 1.186 20 30 CDEDLO C[C@@H]1C(=NNS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000811645032 724467690 /nfs/dbraw/zinc/46/76/90/724467690.db2.gz VTEAHFQUFBKZQW-LLVKDONJSA-N 1 2 281.381 1.186 20 30 CDEDLO CCn1c[nH+]c2c1CCN(C[C@@H](C#N)CCC#N)C2 ZINC000933262157 725410645 /nfs/dbraw/zinc/41/06/45/725410645.db2.gz BRXUAZAVFWNIGU-GFCCVEGCSA-N 1 2 257.341 1.705 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@H](CC)O2)C1 ZINC001042825461 725410726 /nfs/dbraw/zinc/41/07/26/725410726.db2.gz AGSBZJKWXSDHQQ-KBPBESRZSA-N 1 2 264.369 1.110 20 30 CDEDLO C#CCC(C)(C)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000782313815 725411422 /nfs/dbraw/zinc/41/14/22/725411422.db2.gz IOCWVPMKICVZTE-GFCCVEGCSA-N 1 2 253.342 1.300 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2nc(CC)c[nH]2)C1 ZINC001042969396 725412716 /nfs/dbraw/zinc/41/27/16/725412716.db2.gz LUPLXPZRFCAKGV-UHFFFAOYSA-N 1 2 276.384 1.233 20 30 CDEDLO C=CC(C)(C)CNC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875639894 725446950 /nfs/dbraw/zinc/44/69/50/725446950.db2.gz HKBPROFICXAAIQ-CYBMUJFWSA-N 1 2 283.416 1.609 20 30 CDEDLO C=CC(C)(C)CNC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875639894 725446952 /nfs/dbraw/zinc/44/69/52/725446952.db2.gz HKBPROFICXAAIQ-CYBMUJFWSA-N 1 2 283.416 1.609 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccon1 ZINC000960501063 724519886 /nfs/dbraw/zinc/51/98/86/724519886.db2.gz ICOFKOILXZQYSL-YPMHNXCESA-N 1 2 276.340 1.257 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccon1 ZINC000960501063 724519890 /nfs/dbraw/zinc/51/98/90/724519890.db2.gz ICOFKOILXZQYSL-YPMHNXCESA-N 1 2 276.340 1.257 20 30 CDEDLO C#C[C@H]([NH2+]Cc1nccn1C(F)F)[C@H]1CCCO1 ZINC000775345031 724541778 /nfs/dbraw/zinc/54/17/78/724541778.db2.gz MBAGIWRWFQPRTE-VHSXEESVSA-N 1 2 255.268 1.549 20 30 CDEDLO C#CC[NH+]1CCC([C@H](C)NC(=O)c2[nH]nc(C)c2C)CC1 ZINC000997520778 724549131 /nfs/dbraw/zinc/54/91/31/724549131.db2.gz JQKYGWPAXHXDCI-ZDUSSCGKSA-N 1 2 288.395 1.490 20 30 CDEDLO NC(Cc1ccccc1)=[NH+]OCC(=O)NCC(F)(F)F ZINC000047255660 724555395 /nfs/dbraw/zinc/55/53/95/724555395.db2.gz NHIGEEWXEKEWFV-UHFFFAOYSA-N 1 2 289.257 1.196 20 30 CDEDLO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001034522956 724556528 /nfs/dbraw/zinc/55/65/28/724556528.db2.gz XTJDWTIDIJBGOI-CYBMUJFWSA-N 1 2 299.378 1.728 20 30 CDEDLO C=CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001034522956 724556537 /nfs/dbraw/zinc/55/65/37/724556537.db2.gz XTJDWTIDIJBGOI-CYBMUJFWSA-N 1 2 299.378 1.728 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)CC#N ZINC000929790994 724582231 /nfs/dbraw/zinc/58/22/31/724582231.db2.gz PEMYQUZZMJQZNS-MNOVXSKESA-N 1 2 254.330 1.067 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)CC#N ZINC000929790994 724582236 /nfs/dbraw/zinc/58/22/36/724582236.db2.gz PEMYQUZZMJQZNS-MNOVXSKESA-N 1 2 254.330 1.067 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2nccn2c1 ZINC001038902561 724584133 /nfs/dbraw/zinc/58/41/33/724584133.db2.gz OUMRXANLIYANOK-AWEZNQCLSA-N 1 2 282.347 1.162 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2nccn2c1 ZINC001038902561 724584136 /nfs/dbraw/zinc/58/41/36/724584136.db2.gz OUMRXANLIYANOK-AWEZNQCLSA-N 1 2 282.347 1.162 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCO[C@H](CCC)C2)C1 ZINC001044098725 724592159 /nfs/dbraw/zinc/59/21/59/724592159.db2.gz WVRBKYUTEMHPPB-UKRRQHHQSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C[C@@H](O)C(=O)OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817189246 724677447 /nfs/dbraw/zinc/67/74/47/724677447.db2.gz UHARRFFRXAXXOT-OAHLLOKOSA-N 1 2 291.347 1.109 20 30 CDEDLO CCC(C#N)(CC)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913475807 724678138 /nfs/dbraw/zinc/67/81/38/724678138.db2.gz XZDQUENTQDCYGS-CYBMUJFWSA-N 1 2 289.383 1.223 20 30 CDEDLO C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001033083756 724684100 /nfs/dbraw/zinc/68/41/00/724684100.db2.gz KNHDIWNCBOEKTP-OLZOCXBDSA-N 1 2 288.395 1.548 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001033083756 724684108 /nfs/dbraw/zinc/68/41/08/724684108.db2.gz KNHDIWNCBOEKTP-OLZOCXBDSA-N 1 2 288.395 1.548 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2Cc3cccc(C)c3O2)C1 ZINC001031501856 724718074 /nfs/dbraw/zinc/71/80/74/724718074.db2.gz WWGQYKMMIUQJNP-HNNXBMFYSA-N 1 2 284.359 1.122 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@@H](C)CC1 ZINC000884313498 724724399 /nfs/dbraw/zinc/72/43/99/724724399.db2.gz GVVKYEWXKDCGPW-UPJWGTAASA-N 1 2 282.384 1.518 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2CCO[C@H](CC)C2)C1 ZINC001044155335 724747581 /nfs/dbraw/zinc/74/75/81/724747581.db2.gz FMKAPUHFYIKCDZ-DZGCQCFKSA-N 1 2 280.412 1.910 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2c[nH]nc21 ZINC001038579462 724774549 /nfs/dbraw/zinc/77/45/49/724774549.db2.gz XRWMBMPIQATWEG-GFCCVEGCSA-N 1 2 268.320 1.000 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2c[nH]nc21 ZINC001038579462 724774553 /nfs/dbraw/zinc/77/45/53/724774553.db2.gz XRWMBMPIQATWEG-GFCCVEGCSA-N 1 2 268.320 1.000 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CC3(CC3)C1)CO2 ZINC001053922167 724786429 /nfs/dbraw/zinc/78/64/29/724786429.db2.gz XPHAYGAIWKFKOJ-CQSZACIVSA-N 1 2 288.391 1.159 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cnn1C ZINC001017820348 724807442 /nfs/dbraw/zinc/80/74/42/724807442.db2.gz AOZYDUUGDQGTKH-OKILXGFUSA-N 1 2 286.379 1.041 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cnn1C ZINC001017820348 724807446 /nfs/dbraw/zinc/80/74/46/724807446.db2.gz AOZYDUUGDQGTKH-OKILXGFUSA-N 1 2 286.379 1.041 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccsc1Cl ZINC001032666263 724819119 /nfs/dbraw/zinc/81/91/19/724819119.db2.gz HDXKSPVPAZPTID-UWVGGRQHSA-N 1 2 280.780 1.933 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccsc1Cl ZINC001032666263 724819122 /nfs/dbraw/zinc/81/91/22/724819122.db2.gz HDXKSPVPAZPTID-UWVGGRQHSA-N 1 2 280.780 1.933 20 30 CDEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2snnc2C2CC2)C1 ZINC001007534693 724822443 /nfs/dbraw/zinc/82/24/43/724822443.db2.gz JQABVWSYJWHHIZ-LLVKDONJSA-N 1 2 292.408 1.796 20 30 CDEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)c2snnc2C2CC2)C1 ZINC001007534693 724822444 /nfs/dbraw/zinc/82/24/44/724822444.db2.gz JQABVWSYJWHHIZ-LLVKDONJSA-N 1 2 292.408 1.796 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccccc1F ZINC001032777973 724829465 /nfs/dbraw/zinc/82/94/65/724829465.db2.gz XOWOTQPTNDWFOO-GJZGRUSLSA-N 1 2 286.350 1.677 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccccc1F ZINC001032777973 724829467 /nfs/dbraw/zinc/82/94/67/724829467.db2.gz XOWOTQPTNDWFOO-GJZGRUSLSA-N 1 2 286.350 1.677 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2nc(Cl)cs2)C1 ZINC000923560913 725179722 /nfs/dbraw/zinc/17/97/22/725179722.db2.gz MZWWAJOVKQCTED-VIFPVBQESA-N 1 2 283.784 1.624 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2nc(Cl)cs2)C1 ZINC000923560913 725179725 /nfs/dbraw/zinc/17/97/25/725179725.db2.gz MZWWAJOVKQCTED-VIFPVBQESA-N 1 2 283.784 1.624 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCCCC1 ZINC001017304694 723700407 /nfs/dbraw/zinc/70/04/07/723700407.db2.gz LRXRNHVPFGYEIK-GASCZTMLSA-N 1 2 260.381 1.875 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCCCC1 ZINC001017304694 723700408 /nfs/dbraw/zinc/70/04/08/723700408.db2.gz LRXRNHVPFGYEIK-GASCZTMLSA-N 1 2 260.381 1.875 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccnn2CC(F)F)C1 ZINC001042719033 723707625 /nfs/dbraw/zinc/70/76/25/723707625.db2.gz ZZSXOSCIAPVJEQ-UHFFFAOYSA-N 1 2 298.337 1.481 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(OC)cc2)C1 ZINC001035584182 723709415 /nfs/dbraw/zinc/70/94/15/723709415.db2.gz QBMNSFPBKYWKLJ-HNNXBMFYSA-N 1 2 290.363 1.312 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(OC)cc2)C1 ZINC001035584182 723709416 /nfs/dbraw/zinc/70/94/16/723709416.db2.gz QBMNSFPBKYWKLJ-HNNXBMFYSA-N 1 2 290.363 1.312 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnccc1C ZINC001038125822 723728799 /nfs/dbraw/zinc/72/87/99/723728799.db2.gz MTBHBSBOSZSAPL-ZDUSSCGKSA-N 1 2 257.337 1.217 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnccc1C ZINC001038125822 723728801 /nfs/dbraw/zinc/72/88/01/723728801.db2.gz MTBHBSBOSZSAPL-ZDUSSCGKSA-N 1 2 257.337 1.217 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncs1 ZINC001032301110 723739397 /nfs/dbraw/zinc/73/93/97/723739397.db2.gz OVIIZNOPVQWMGQ-QWRGUYRKSA-N 1 2 263.366 1.618 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncs1 ZINC001032301110 723739399 /nfs/dbraw/zinc/73/93/99/723739399.db2.gz OVIIZNOPVQWMGQ-QWRGUYRKSA-N 1 2 263.366 1.618 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCCO2)C1 ZINC001042618881 723754775 /nfs/dbraw/zinc/75/47/75/723754775.db2.gz RKMIBKFQHDVUIX-CYBMUJFWSA-N 1 2 252.358 1.274 20 30 CDEDLO N#Cc1sccc1N1CC[NH+](C[C@H]2CCC(=O)O2)CC1 ZINC000852342772 723765891 /nfs/dbraw/zinc/76/58/91/723765891.db2.gz JYAPTESOGSZGJF-LLVKDONJSA-N 1 2 291.376 1.447 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(C)CCOc1cc(C)cc(C)c1 ZINC000192235935 723768455 /nfs/dbraw/zinc/76/84/55/723768455.db2.gz LVENYMWZXYDUPR-UHFFFAOYSA-N 1 2 288.391 1.706 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N(C)CCOc1cc(C)cc(C)c1 ZINC000192235935 723768457 /nfs/dbraw/zinc/76/84/57/723768457.db2.gz LVENYMWZXYDUPR-UHFFFAOYSA-N 1 2 288.391 1.706 20 30 CDEDLO C#CC[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000852490613 723771291 /nfs/dbraw/zinc/77/12/91/723771291.db2.gz OAYWQTHVCXNWLP-UHFFFAOYSA-N 1 2 291.358 1.704 20 30 CDEDLO C[C@H](CCC#N)[N@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879763187 723776886 /nfs/dbraw/zinc/77/68/86/723776886.db2.gz JGCPLKVJPDVUDO-MWLCHTKSSA-N 1 2 277.290 1.822 20 30 CDEDLO C[C@H](CCC#N)[N@@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879763187 723776884 /nfs/dbraw/zinc/77/68/84/723776884.db2.gz JGCPLKVJPDVUDO-MWLCHTKSSA-N 1 2 277.290 1.822 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCCO[C@H]2CC)C1 ZINC001042885967 723778363 /nfs/dbraw/zinc/77/83/63/723778363.db2.gz XMBSHPQEGTYEFU-KBPBESRZSA-N 1 2 266.385 1.520 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2c1CCCC2 ZINC001032718245 723831732 /nfs/dbraw/zinc/83/17/32/723831732.db2.gz PZVFQAGPGSNXAP-KBPBESRZSA-N 1 2 298.390 1.141 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2c1CCCC2 ZINC001032718245 723831736 /nfs/dbraw/zinc/83/17/36/723831736.db2.gz PZVFQAGPGSNXAP-KBPBESRZSA-N 1 2 298.390 1.141 20 30 CDEDLO CC(C)[C@H]([NH2+]C[C@H](O)CC#N)c1nc(C2CC2)no1 ZINC000930236971 723856873 /nfs/dbraw/zinc/85/68/73/723856873.db2.gz PCUKGJFIBGFILT-MNOVXSKESA-N 1 2 264.329 1.508 20 30 CDEDLO C#CCCS(=O)(=O)N(CCCOCC)c1cc[nH+]cc1 ZINC000867680720 723859286 /nfs/dbraw/zinc/85/92/86/723859286.db2.gz SPHFRSKPFZRYDV-UHFFFAOYSA-N 1 2 296.392 1.668 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1c[nH+]cn1C ZINC000292275480 723922912 /nfs/dbraw/zinc/92/29/12/723922912.db2.gz GPGKCQLTJRNIDO-AAEUAGOBSA-N 1 2 278.356 1.201 20 30 CDEDLO C[C@@H](CC(=O)N1C[C@@H](NCC#N)C(C)(C)C1)n1cc[nH+]c1 ZINC000996362867 723960848 /nfs/dbraw/zinc/96/08/48/723960848.db2.gz IKJAYVISLZPTNI-QWHCGFSZSA-N 1 2 289.383 1.184 20 30 CDEDLO C=CC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO ZINC000886350211 723975698 /nfs/dbraw/zinc/97/56/98/723975698.db2.gz NCMQLVJQKAHIEZ-LLVKDONJSA-N 1 2 256.346 1.086 20 30 CDEDLO C=CC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO ZINC000886350211 723975714 /nfs/dbraw/zinc/97/57/14/723975714.db2.gz NCMQLVJQKAHIEZ-LLVKDONJSA-N 1 2 256.346 1.086 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CCNc1nccc(C)c1C#N ZINC000872771388 724003555 /nfs/dbraw/zinc/00/35/55/724003555.db2.gz HWLGAIFPUAOKBM-ZDUSSCGKSA-N 1 2 274.368 1.784 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CCNc1nccc(C)c1C#N ZINC000872771388 724003559 /nfs/dbraw/zinc/00/35/59/724003559.db2.gz HWLGAIFPUAOKBM-ZDUSSCGKSA-N 1 2 274.368 1.784 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ncccc2OCC=C)C1 ZINC001044165349 724007012 /nfs/dbraw/zinc/00/70/12/724007012.db2.gz QWOGKBJFLUICRF-UHFFFAOYSA-N 1 2 299.374 1.426 20 30 CDEDLO N#Cc1cccn(C[NH+]2CCC([C@@H]3CCCO3)CC2)c1=O ZINC000783968762 724010597 /nfs/dbraw/zinc/01/05/97/724010597.db2.gz QGRNTPUDZQEJKV-HNNXBMFYSA-N 1 2 287.363 1.568 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2[nH]ccc2n1 ZINC001032517583 724035424 /nfs/dbraw/zinc/03/54/24/724035424.db2.gz XAXUZULOQWKWRU-RYUDHWBXSA-N 1 2 280.331 1.095 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2[nH]ccc2n1 ZINC001032517583 724035425 /nfs/dbraw/zinc/03/54/25/724035425.db2.gz XAXUZULOQWKWRU-RYUDHWBXSA-N 1 2 280.331 1.095 20 30 CDEDLO CN(Cc1ccccc1)C(=O)CO[NH+]=C(N)c1ccccc1 ZINC000078459904 724042584 /nfs/dbraw/zinc/04/25/84/724042584.db2.gz OIPIPIYCNLMVDK-UHFFFAOYSA-N 1 2 297.358 1.982 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(F)cc1F ZINC001038981476 724062161 /nfs/dbraw/zinc/06/21/61/724062161.db2.gz JPKBUJZEKCRYIY-LBPRGKRZSA-N 1 2 278.302 1.792 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(F)cc1F ZINC001038981476 724062162 /nfs/dbraw/zinc/06/21/62/724062162.db2.gz JPKBUJZEKCRYIY-LBPRGKRZSA-N 1 2 278.302 1.792 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C2C[C@@H](C)C[C@H](C)C2)C1 ZINC001031453576 724092363 /nfs/dbraw/zinc/09/23/63/724092363.db2.gz DSKNYOZVSHIAMX-STQMWFEESA-N 1 2 262.397 1.882 20 30 CDEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CC2CCC2)CC1 ZINC001070952978 724098957 /nfs/dbraw/zinc/09/89/57/724098957.db2.gz RRBZEGQZOMWQAS-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CC2CCC2)CC1 ZINC001070952978 724098962 /nfs/dbraw/zinc/09/89/62/724098962.db2.gz RRBZEGQZOMWQAS-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO N#Cc1cccn(C[NH+]2CCC(C3CC3)CC2)c1=O ZINC000793617101 724305877 /nfs/dbraw/zinc/30/58/77/724305877.db2.gz PKCDHZJUXQATMN-UHFFFAOYSA-N 1 2 257.337 1.799 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(=O)[nH]c2)C1 ZINC001044257322 724336936 /nfs/dbraw/zinc/33/69/36/724336936.db2.gz HQSOTARKZJATOX-UHFFFAOYSA-N 1 2 261.325 1.120 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000923167755 724356058 /nfs/dbraw/zinc/35/60/58/724356058.db2.gz XSTSGVJTZKOKMW-BFHYXJOUSA-N 1 2 283.368 1.232 20 30 CDEDLO CC(C)S(=O)(=O)CC[N@H+]1CCC[C@H](CC#N)C1 ZINC000397677323 725051481 /nfs/dbraw/zinc/05/14/81/725051481.db2.gz SCORBZPZNVQVFU-GFCCVEGCSA-N 1 2 258.387 1.435 20 30 CDEDLO CC(C)S(=O)(=O)CC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397677323 725051478 /nfs/dbraw/zinc/05/14/78/725051478.db2.gz SCORBZPZNVQVFU-GFCCVEGCSA-N 1 2 258.387 1.435 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1ccc(CC)cc1 ZINC001032764640 725061071 /nfs/dbraw/zinc/06/10/71/725061071.db2.gz GNRMMODLJPAMTG-HOTGVXAUSA-N 1 2 298.386 1.546 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1ccc(CC)cc1 ZINC001032764640 725061072 /nfs/dbraw/zinc/06/10/72/725061072.db2.gz GNRMMODLJPAMTG-HOTGVXAUSA-N 1 2 298.386 1.546 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC001030669256 725066060 /nfs/dbraw/zinc/06/60/60/725066060.db2.gz SWILNIYMMHTRSS-UHFFFAOYSA-N 1 2 284.363 1.482 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cn1 ZINC000857943547 725079006 /nfs/dbraw/zinc/07/90/06/725079006.db2.gz GCNHPTRBMPIFBB-CYBMUJFWSA-N 1 2 266.304 1.004 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(Cl)c1 ZINC001032665358 725086003 /nfs/dbraw/zinc/08/60/03/725086003.db2.gz RLBWPXBMIJBWEH-QWRGUYRKSA-N 1 2 280.780 1.933 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(Cl)c1 ZINC001032665358 725086005 /nfs/dbraw/zinc/08/60/05/725086005.db2.gz RLBWPXBMIJBWEH-QWRGUYRKSA-N 1 2 280.780 1.933 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)c[nH]c1=O ZINC001018122260 725089327 /nfs/dbraw/zinc/08/93/27/725089327.db2.gz GTOHGWSFTHUTDF-OKILXGFUSA-N 1 2 299.374 1.272 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)c[nH]c1=O ZINC001018122260 725089329 /nfs/dbraw/zinc/08/93/29/725089329.db2.gz GTOHGWSFTHUTDF-OKILXGFUSA-N 1 2 299.374 1.272 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c(C)ccn2C)C1 ZINC001042650496 725092269 /nfs/dbraw/zinc/09/22/69/725092269.db2.gz FOZDYMZUTXTZKK-UHFFFAOYSA-N 1 2 261.369 1.666 20 30 CDEDLO C(=NNCCc1ccncc1)c1cccc2[nH+]ccn21 ZINC000789093004 725095874 /nfs/dbraw/zinc/09/58/74/725095874.db2.gz BGGCZGSFLXOEJH-UHFFFAOYSA-N 1 2 265.320 1.896 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccn1 ZINC001032319048 725108639 /nfs/dbraw/zinc/10/86/39/725108639.db2.gz HMUGCZPDPXDIMB-XBFCOCLRSA-N 1 2 270.336 1.026 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccn1 ZINC001032319048 725108647 /nfs/dbraw/zinc/10/86/47/725108647.db2.gz HMUGCZPDPXDIMB-XBFCOCLRSA-N 1 2 270.336 1.026 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2CCC3(CCC3)CO2)nn1 ZINC000887461347 725142864 /nfs/dbraw/zinc/14/28/64/725142864.db2.gz UDAJPHSCTZABHO-HNNXBMFYSA-N 1 2 288.395 1.740 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001031424117 725150302 /nfs/dbraw/zinc/15/03/02/725150302.db2.gz UJTRKIMKJHYSAD-INIZCTEOSA-N 1 2 260.381 1.947 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC23CCCC3)C1 ZINC001035564344 725150807 /nfs/dbraw/zinc/15/08/07/725150807.db2.gz WAFXLKPHNJJYDC-KGLIPLIRSA-N 1 2 278.396 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC23CCCC3)C1 ZINC001035564344 725150810 /nfs/dbraw/zinc/15/08/10/725150810.db2.gz WAFXLKPHNJJYDC-KGLIPLIRSA-N 1 2 278.396 1.570 20 30 CDEDLO C#CCN1CC[N@H+](CC#C)[C@H](Cc2ccc(F)cc2)C1 ZINC000886374772 725152383 /nfs/dbraw/zinc/15/23/83/725152383.db2.gz MGYGBUXNCZMKRX-QGZVFWFLSA-N 1 2 270.351 1.621 20 30 CDEDLO C#CCN1CC[N@@H+](CC#C)[C@H](Cc2ccc(F)cc2)C1 ZINC000886374772 725152384 /nfs/dbraw/zinc/15/23/84/725152384.db2.gz MGYGBUXNCZMKRX-QGZVFWFLSA-N 1 2 270.351 1.621 20 30 CDEDLO C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001046984347 725157731 /nfs/dbraw/zinc/15/77/31/725157731.db2.gz QSSJEZVSDBQYTK-SNVBAGLBSA-N 1 2 299.325 1.068 20 30 CDEDLO C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001046984347 725157738 /nfs/dbraw/zinc/15/77/38/725157738.db2.gz QSSJEZVSDBQYTK-SNVBAGLBSA-N 1 2 299.325 1.068 20 30 CDEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(c3ncc[nH]3)CC2)cc1 ZINC000846877285 725178125 /nfs/dbraw/zinc/17/81/25/725178125.db2.gz JLUNCWSPBOOPOB-HNNXBMFYSA-N 1 2 297.362 1.137 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC(OC)CC1 ZINC001017865169 725199205 /nfs/dbraw/zinc/19/92/05/725199205.db2.gz NKNOFOJNMAYPMP-IRHLINNNSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC(OC)CC1 ZINC001017865169 725199206 /nfs/dbraw/zinc/19/92/06/725199206.db2.gz NKNOFOJNMAYPMP-IRHLINNNSA-N 1 2 290.407 1.500 20 30 CDEDLO C=CCN1CCN(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853525471 725208898 /nfs/dbraw/zinc/20/88/98/725208898.db2.gz WNGFNKCBZIBUFE-CYBMUJFWSA-N 1 2 262.357 1.493 20 30 CDEDLO C=CCN1CCN(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853525471 725208905 /nfs/dbraw/zinc/20/89/05/725208905.db2.gz WNGFNKCBZIBUFE-CYBMUJFWSA-N 1 2 262.357 1.493 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc(N(C)C)c2)C1 ZINC001031305724 725228165 /nfs/dbraw/zinc/22/81/65/725228165.db2.gz INMWPDNTISIJCF-UHFFFAOYSA-N 1 2 273.380 1.743 20 30 CDEDLO C=CCN1CC(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001030311070 725236772 /nfs/dbraw/zinc/23/67/72/725236772.db2.gz LDLPGTSNBQPQMD-UHFFFAOYSA-N 1 2 270.336 1.243 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC001044063540 725246170 /nfs/dbraw/zinc/24/61/70/725246170.db2.gz KTANNGLWRGDZSV-UHFFFAOYSA-N 1 2 297.362 1.414 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1oc(CC)nc1C ZINC001038891800 725246723 /nfs/dbraw/zinc/24/67/23/725246723.db2.gz UGHYDQZOFWEEHS-LBPRGKRZSA-N 1 2 275.352 1.373 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1oc(CC)nc1C ZINC001038891800 725246728 /nfs/dbraw/zinc/24/67/28/725246728.db2.gz UGHYDQZOFWEEHS-LBPRGKRZSA-N 1 2 275.352 1.373 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccc(C(C)C)[nH]c2=O)C1 ZINC001044010947 725248590 /nfs/dbraw/zinc/24/85/90/725248590.db2.gz HWRTWYWAMRYCSO-UHFFFAOYSA-N 1 2 289.379 1.853 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc[nH]c3)C[C@@H]21 ZINC001074244114 725253092 /nfs/dbraw/zinc/25/30/92/725253092.db2.gz DJZKKQDFJLIMTL-LSDHHAIUSA-N 1 2 289.379 1.506 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc[nH]c3)C[C@@H]21 ZINC001074244114 725253093 /nfs/dbraw/zinc/25/30/93/725253093.db2.gz DJZKKQDFJLIMTL-LSDHHAIUSA-N 1 2 289.379 1.506 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CCC(C)(C)C)C1 ZINC000885511344 725260395 /nfs/dbraw/zinc/26/03/95/725260395.db2.gz GGRIFSMVZMBCBF-ZDUSSCGKSA-N 1 2 286.441 1.440 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)n2cccc2)C1 ZINC001010567139 725265400 /nfs/dbraw/zinc/26/54/00/725265400.db2.gz NDANWHYDKHWFLF-OLZOCXBDSA-N 1 2 281.787 1.992 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)n2cccc2)C1 ZINC001010567139 725265403 /nfs/dbraw/zinc/26/54/03/725265403.db2.gz NDANWHYDKHWFLF-OLZOCXBDSA-N 1 2 281.787 1.992 20 30 CDEDLO N#Cc1cccc(OC2CC[NH+](CN3CCC3=O)CC2)c1 ZINC000857232205 725268888 /nfs/dbraw/zinc/26/88/88/725268888.db2.gz RITXDEPEPPFRAZ-UHFFFAOYSA-N 1 2 285.347 1.591 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2scnc2CC)C1 ZINC001014644075 725273297 /nfs/dbraw/zinc/27/32/97/725273297.db2.gz BFNUSRCKGWJIAO-NSHDSACASA-N 1 2 277.393 1.533 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2scnc2CC)C1 ZINC001014644075 725273300 /nfs/dbraw/zinc/27/33/00/725273300.db2.gz BFNUSRCKGWJIAO-NSHDSACASA-N 1 2 277.393 1.533 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C(F)(F)F)CC1 ZINC001032644718 725285229 /nfs/dbraw/zinc/28/52/29/725285229.db2.gz TVGYSHDFVBADQI-QWRGUYRKSA-N 1 2 286.297 1.637 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C(F)(F)F)CC1 ZINC001032644718 725285232 /nfs/dbraw/zinc/28/52/32/725285232.db2.gz TVGYSHDFVBADQI-QWRGUYRKSA-N 1 2 286.297 1.637 20 30 CDEDLO CCc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C)C#N)cc(C)[nH+]1 ZINC001062457408 725296233 /nfs/dbraw/zinc/29/62/33/725296233.db2.gz WFSURXAULHQHOF-DRZSPHRISA-N 1 2 299.378 1.297 20 30 CDEDLO COc1nccnc1N=NC(C)c1cn(C)c(C)[nH+]1 ZINC000800815811 725300727 /nfs/dbraw/zinc/30/07/27/725300727.db2.gz ORZUJORAICQOBF-UHFFFAOYSA-N 1 2 260.301 1.363 20 30 CDEDLO COc1cccc([C@@H]2CN(C(=O)CCCC#N)CC[NH2+]2)c1 ZINC000870154018 725312150 /nfs/dbraw/zinc/31/21/50/725312150.db2.gz WWVXEUTVUKDSEZ-HNNXBMFYSA-N 1 2 287.363 1.862 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccccn1)CO2 ZINC001053722008 725316187 /nfs/dbraw/zinc/31/61/87/725316187.db2.gz IWZYGUJTOJPMKS-ZDUSSCGKSA-N 1 2 287.363 1.231 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnn(CC(C)C)c2C)C1 ZINC001031321116 725333482 /nfs/dbraw/zinc/33/34/82/725333482.db2.gz LWZPTBBDUJGYSR-UHFFFAOYSA-N 1 2 288.395 1.285 20 30 CDEDLO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001009488970 725340581 /nfs/dbraw/zinc/34/05/81/725340581.db2.gz QAYFESGYLJYKME-ZDUSSCGKSA-N 1 2 299.378 1.728 20 30 CDEDLO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001009488970 725340585 /nfs/dbraw/zinc/34/05/85/725340585.db2.gz QAYFESGYLJYKME-ZDUSSCGKSA-N 1 2 299.378 1.728 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001030597813 725341710 /nfs/dbraw/zinc/34/17/10/725341710.db2.gz ZDKHMQSWJINBGJ-UHFFFAOYSA-N 1 2 274.368 1.145 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C)nn1 ZINC001027877515 725343675 /nfs/dbraw/zinc/34/36/75/725343675.db2.gz JMPKORLGVRFPCU-LBPRGKRZSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)nn1 ZINC001027877515 725343678 /nfs/dbraw/zinc/34/36/78/725343678.db2.gz JMPKORLGVRFPCU-LBPRGKRZSA-N 1 2 294.786 1.732 20 30 CDEDLO CCC(=[NH+]OCC(N)=O)c1ccc(Cl)c(N)c1 ZINC000814893600 725355208 /nfs/dbraw/zinc/35/52/08/725355208.db2.gz XMBZNLVTBJESHX-UHFFFAOYSA-N 1 2 255.705 1.538 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(F)cc1 ZINC001038007905 725368085 /nfs/dbraw/zinc/36/80/85/725368085.db2.gz UYXYDRCRFBMXOA-CQSZACIVSA-N 1 2 260.312 1.653 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(F)cc1 ZINC001038007905 725368086 /nfs/dbraw/zinc/36/80/86/725368086.db2.gz UYXYDRCRFBMXOA-CQSZACIVSA-N 1 2 260.312 1.653 20 30 CDEDLO C#CC[C@@H]1CCN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000887340755 725368109 /nfs/dbraw/zinc/36/81/09/725368109.db2.gz KDYJOYIHRRFPSN-QWHCGFSZSA-N 1 2 260.341 1.326 20 30 CDEDLO C#CC[NH+]1CCC2(CN(C(=O)C(F)C(F)(F)F)C2)CC1 ZINC001050526288 725372077 /nfs/dbraw/zinc/37/20/77/725372077.db2.gz CDNRBRJJNADMGO-SNVBAGLBSA-N 1 2 292.276 1.444 20 30 CDEDLO C#CC[NH+]1CCC2(CN(C(=O)[C@@H](F)C(F)(F)F)C2)CC1 ZINC001050526288 725372081 /nfs/dbraw/zinc/37/20/81/725372081.db2.gz CDNRBRJJNADMGO-SNVBAGLBSA-N 1 2 292.276 1.444 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001043452277 725375483 /nfs/dbraw/zinc/37/54/83/725375483.db2.gz GNOLIRIWSMWOJD-YWVIFJGQSA-N 1 2 260.381 1.589 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1conc1C(F)(F)F ZINC001038514129 725383893 /nfs/dbraw/zinc/38/38/93/725383893.db2.gz NTHYHHRVWSAWSH-MRVPVSSYSA-N 1 2 289.257 1.684 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1conc1C(F)(F)F ZINC001038514129 725383894 /nfs/dbraw/zinc/38/38/94/725383894.db2.gz NTHYHHRVWSAWSH-MRVPVSSYSA-N 1 2 289.257 1.684 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001043381436 725389661 /nfs/dbraw/zinc/38/96/61/725389661.db2.gz SIESPHOPUCQRQO-AEGPPILISA-N 1 2 278.396 1.520 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001031985591 725396338 /nfs/dbraw/zinc/39/63/38/725396338.db2.gz JYNLTYCQJQMBTC-SKDRFNHKSA-N 1 2 272.776 1.212 20 30 CDEDLO C#Cc1ccccc1CC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000811222996 725396416 /nfs/dbraw/zinc/39/64/16/725396416.db2.gz FRRXBCWHAHZKAU-HNNXBMFYSA-N 1 2 279.343 1.538 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC001030686763 725398553 /nfs/dbraw/zinc/39/85/53/725398553.db2.gz GFUHOLVBHVEWRW-UHFFFAOYSA-N 1 2 275.352 1.340 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)C1CC1)CO2 ZINC001053768217 725403129 /nfs/dbraw/zinc/40/31/29/725403129.db2.gz WHIQTEWOXRIVJB-OCCSQVGLSA-N 1 2 278.396 1.568 20 30 CDEDLO COc1ccc(C=NNc2[nH+]ccn2C)c(OC)c1 ZINC000790305139 725403232 /nfs/dbraw/zinc/40/32/32/725403232.db2.gz AIGYONSIQDQWKA-UHFFFAOYSA-N 1 2 260.297 1.883 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000967945391 725403383 /nfs/dbraw/zinc/40/33/83/725403383.db2.gz WCZSOHFDBNZHOD-ZYHUDNBSSA-N 1 2 288.351 1.402 20 30 CDEDLO C=CCC1(O)CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000884479144 725407379 /nfs/dbraw/zinc/40/73/79/725407379.db2.gz XZYRGZSFOXRKPX-UHFFFAOYSA-N 1 2 266.301 1.152 20 30 CDEDLO C=CCN1CCN(C[N@@H+]2CCC(F)(F)[C@H](C)C2)C1=O ZINC000840071453 725407382 /nfs/dbraw/zinc/40/73/82/725407382.db2.gz DYLORGMOCAXBSW-LLVKDONJSA-N 1 2 273.327 1.845 20 30 CDEDLO C=CCN1CCN(C[N@H+]2CCC(F)(F)[C@H](C)C2)C1=O ZINC000840071453 725407383 /nfs/dbraw/zinc/40/73/83/725407383.db2.gz DYLORGMOCAXBSW-LLVKDONJSA-N 1 2 273.327 1.845 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Oc1cccnc1 ZINC001017925242 725408044 /nfs/dbraw/zinc/40/80/44/725408044.db2.gz NBBVLQNMWVAHRD-KFWWJZLASA-N 1 2 299.374 1.157 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Oc1cccnc1 ZINC001017925242 725408045 /nfs/dbraw/zinc/40/80/45/725408045.db2.gz NBBVLQNMWVAHRD-KFWWJZLASA-N 1 2 299.374 1.157 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1noc2c1C[C@H](C)CC2 ZINC001038867438 725409835 /nfs/dbraw/zinc/40/98/35/725409835.db2.gz AKARWBYLVFVSHA-VXGBXAGGSA-N 1 2 289.379 1.790 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1noc2c1C[C@H](C)CC2 ZINC001038867438 725409836 /nfs/dbraw/zinc/40/98/36/725409836.db2.gz AKARWBYLVFVSHA-VXGBXAGGSA-N 1 2 289.379 1.790 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@@H](CC)C1 ZINC001018154129 725409967 /nfs/dbraw/zinc/40/99/67/725409967.db2.gz CMWNXDIBGHIUOY-JONQDZQNSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@@H](CC)C1 ZINC001018154129 725409968 /nfs/dbraw/zinc/40/99/68/725409968.db2.gz CMWNXDIBGHIUOY-JONQDZQNSA-N 1 2 290.407 1.500 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001015914238 725411160 /nfs/dbraw/zinc/41/11/60/725411160.db2.gz UJBJFKBMISDPMZ-CQSZACIVSA-N 1 2 297.362 1.257 20 30 CDEDLO C=CC[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001015914238 725411161 /nfs/dbraw/zinc/41/11/61/725411161.db2.gz UJBJFKBMISDPMZ-CQSZACIVSA-N 1 2 297.362 1.257 20 30 CDEDLO C#C[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)[C@@H]1CCCO1 ZINC000775784575 725412331 /nfs/dbraw/zinc/41/23/31/725412331.db2.gz KGLXXAFRXPOKEH-ULQDDVLXSA-N 1 2 298.386 1.777 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)[nH]1 ZINC000874893257 725412958 /nfs/dbraw/zinc/41/29/58/725412958.db2.gz PUCJNHQKXNTLII-OAHLLOKOSA-N 1 2 298.321 1.812 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccnc(N(C)C)c2)C1 ZINC001043994961 725415551 /nfs/dbraw/zinc/41/55/51/725415551.db2.gz NSTWUPHFIGVYCG-UHFFFAOYSA-N 1 2 288.395 1.480 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2c(cccc2OC)[nH]1 ZINC001039019655 725422208 /nfs/dbraw/zinc/42/22/08/725422208.db2.gz VMEWMAVHSHPIQO-LBPRGKRZSA-N 1 2 297.358 1.614 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c(cccc2OC)[nH]1 ZINC001039019655 725422210 /nfs/dbraw/zinc/42/22/10/725422210.db2.gz VMEWMAVHSHPIQO-LBPRGKRZSA-N 1 2 297.358 1.614 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(F)cc(OC)cc1F ZINC001038725206 725426011 /nfs/dbraw/zinc/42/60/11/725426011.db2.gz KPVGZUIFOGJTOE-SNVBAGLBSA-N 1 2 294.301 1.411 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(F)cc(OC)cc1F ZINC001038725206 725426012 /nfs/dbraw/zinc/42/60/12/725426012.db2.gz KPVGZUIFOGJTOE-SNVBAGLBSA-N 1 2 294.301 1.411 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2nc(C)c(C)s2)CC1 ZINC000989696202 725437548 /nfs/dbraw/zinc/43/75/48/725437548.db2.gz COOABRGOVVPVRS-UHFFFAOYSA-N 1 2 277.393 1.541 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2nc(C)c(C)s2)CC1 ZINC000989696202 725437550 /nfs/dbraw/zinc/43/75/50/725437550.db2.gz COOABRGOVVPVRS-UHFFFAOYSA-N 1 2 277.393 1.541 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]nc1-c1ccco1 ZINC001032792112 725441215 /nfs/dbraw/zinc/44/12/15/725441215.db2.gz PTRPSMPMCNGGTK-RYUDHWBXSA-N 1 2 296.330 1.202 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]nc1-c1ccco1 ZINC001032792112 725441216 /nfs/dbraw/zinc/44/12/16/725441216.db2.gz PTRPSMPMCNGGTK-RYUDHWBXSA-N 1 2 296.330 1.202 20 30 CDEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000852636583 725453181 /nfs/dbraw/zinc/45/31/81/725453181.db2.gz XZDPUSFQMWFQGX-CHWSQXEVSA-N 1 2 294.358 1.762 20 30 CDEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000852636583 725453182 /nfs/dbraw/zinc/45/31/82/725453182.db2.gz XZDPUSFQMWFQGX-CHWSQXEVSA-N 1 2 294.358 1.762 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000188543273 725474064 /nfs/dbraw/zinc/47/40/64/725474064.db2.gz XLUPVFHGRVIBOS-DZGCQCFKSA-N 1 2 285.384 1.479 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)c(F)c(C)c1 ZINC001039028765 725492148 /nfs/dbraw/zinc/49/21/48/725492148.db2.gz MJOILDIIFOQPLF-AWEZNQCLSA-N 1 2 274.339 1.880 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)c(F)c(C)c1 ZINC001039028765 725492151 /nfs/dbraw/zinc/49/21/51/725492151.db2.gz MJOILDIIFOQPLF-AWEZNQCLSA-N 1 2 274.339 1.880 20 30 CDEDLO Cc1noc([C@H]2CCCC[N@H+]2CCO[C@H](C)C#N)n1 ZINC000796668379 725493889 /nfs/dbraw/zinc/49/38/89/725493889.db2.gz KPVUODHNLCUMDF-ZYHUDNBSSA-N 1 2 264.329 1.834 20 30 CDEDLO Cc1noc([C@H]2CCCC[N@@H+]2CCO[C@H](C)C#N)n1 ZINC000796668379 725493892 /nfs/dbraw/zinc/49/38/92/725493892.db2.gz KPVUODHNLCUMDF-ZYHUDNBSSA-N 1 2 264.329 1.834 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ncnc3sccc32)C1 ZINC001030339707 725551579 /nfs/dbraw/zinc/55/15/79/725551579.db2.gz GDSFITFICZSKQQ-UHFFFAOYSA-N 1 2 286.360 1.129 20 30 CDEDLO C=C(C)C[N@H+]1CC=C(CNC(=O)c2[nH]ncc2F)CC1 ZINC001001120848 725576493 /nfs/dbraw/zinc/57/64/93/725576493.db2.gz JKNSFLFEEWGLMN-UHFFFAOYSA-N 1 2 278.331 1.487 20 30 CDEDLO C=C(C)C[N@@H+]1CC=C(CNC(=O)c2[nH]ncc2F)CC1 ZINC001001120848 725576500 /nfs/dbraw/zinc/57/65/00/725576500.db2.gz JKNSFLFEEWGLMN-UHFFFAOYSA-N 1 2 278.331 1.487 20 30 CDEDLO C#CCSCC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000889715658 725610970 /nfs/dbraw/zinc/61/09/70/725610970.db2.gz WBRQFRNCPYGBMK-LLVKDONJSA-N 1 2 263.366 1.102 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC000923550899 725664310 /nfs/dbraw/zinc/66/43/10/725664310.db2.gz GSJNEOABWWNCKW-LBPRGKRZSA-N 1 2 273.336 1.379 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC000923550899 725664320 /nfs/dbraw/zinc/66/43/20/725664320.db2.gz GSJNEOABWWNCKW-LBPRGKRZSA-N 1 2 273.336 1.379 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(C)n2)C1 ZINC001035292543 725694586 /nfs/dbraw/zinc/69/45/86/725694586.db2.gz DZWFCROHRPYAOI-AWEZNQCLSA-N 1 2 289.379 1.397 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(C)n2)C1 ZINC001035292543 725694591 /nfs/dbraw/zinc/69/45/91/725694591.db2.gz DZWFCROHRPYAOI-AWEZNQCLSA-N 1 2 289.379 1.397 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nc(C)c1 ZINC001032423779 725898103 /nfs/dbraw/zinc/89/81/03/725898103.db2.gz DHSXIGSBNDEUBJ-GJZGRUSLSA-N 1 2 269.348 1.230 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nc(C)c1 ZINC001032423779 725898105 /nfs/dbraw/zinc/89/81/05/725898105.db2.gz DHSXIGSBNDEUBJ-GJZGRUSLSA-N 1 2 269.348 1.230 20 30 CDEDLO C#CCCCCCC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928645343 725898423 /nfs/dbraw/zinc/89/84/23/725898423.db2.gz XOXHKXSWNGTZPG-OAHLLOKOSA-N 1 2 280.412 1.797 20 30 CDEDLO CC#CC[NH+]1CCN(Cc2cccc(OC)c2)CC1 ZINC000879449531 725911266 /nfs/dbraw/zinc/91/12/66/725911266.db2.gz PABPUIXJQPSECR-UHFFFAOYSA-N 1 2 258.365 1.836 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCC(=O)NC1=O ZINC000839471422 725936346 /nfs/dbraw/zinc/93/63/46/725936346.db2.gz UUGKDNDKNKUFIE-CYBMUJFWSA-N 1 2 274.295 1.066 20 30 CDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H]1CCC(=O)NC1=O ZINC000839471422 725936352 /nfs/dbraw/zinc/93/63/52/725936352.db2.gz UUGKDNDKNKUFIE-CYBMUJFWSA-N 1 2 274.295 1.066 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(Cl)n[nH]c1CC ZINC001038335525 725954719 /nfs/dbraw/zinc/95/47/19/725954719.db2.gz MPZSRLOBOOWJEH-SNVBAGLBSA-N 1 2 294.786 1.453 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(Cl)n[nH]c1CC ZINC001038335525 725954722 /nfs/dbraw/zinc/95/47/22/725954722.db2.gz MPZSRLOBOOWJEH-SNVBAGLBSA-N 1 2 294.786 1.453 20 30 CDEDLO CC(C)(C)C#CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000854730941 725955645 /nfs/dbraw/zinc/95/56/45/725955645.db2.gz UNRDDHYWFYDHMW-CQSZACIVSA-N 1 2 278.396 1.359 20 30 CDEDLO N#CCOc1ccc(C[N@@H+]2CCOCC23CC3)cc1 ZINC000801981580 725982196 /nfs/dbraw/zinc/98/21/96/725982196.db2.gz QVEVDYPSIKUXCR-UHFFFAOYSA-N 1 2 258.321 1.954 20 30 CDEDLO N#CCOc1ccc(C[N@H+]2CCOCC23CC3)cc1 ZINC000801981580 725982197 /nfs/dbraw/zinc/98/21/97/725982197.db2.gz QVEVDYPSIKUXCR-UHFFFAOYSA-N 1 2 258.321 1.954 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCCC[C@H]1C[NH2+]Cc1csnn1 ZINC000959922527 725996990 /nfs/dbraw/zinc/99/69/90/725996990.db2.gz CJUFJLMVDCWEMR-JQWIXIFHSA-N 1 2 293.396 1.168 20 30 CDEDLO C[C@H](CCC#N)[N@@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879763185 1166409866 /nfs/dbraw/zinc/40/98/66/1166409866.db2.gz JGCPLKVJPDVUDO-KOLCDFICSA-N 1 2 277.290 1.822 20 30 CDEDLO C[C@H](CCC#N)[N@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879763185 1166409870 /nfs/dbraw/zinc/40/98/70/1166409870.db2.gz JGCPLKVJPDVUDO-KOLCDFICSA-N 1 2 277.290 1.822 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNc2cc(Cl)cc(C#N)n2)C1 ZINC001155195677 1167104586 /nfs/dbraw/zinc/10/45/86/1167104586.db2.gz CEPWHHNIJVPRBH-NSHDSACASA-N 1 2 266.732 1.349 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNc2cc(Cl)cc(C#N)n2)C1 ZINC001155195677 1167104587 /nfs/dbraw/zinc/10/45/87/1167104587.db2.gz CEPWHHNIJVPRBH-NSHDSACASA-N 1 2 266.732 1.349 20 30 CDEDLO C#CCCCCC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001095031709 912219228 /nfs/dbraw/zinc/21/92/28/912219228.db2.gz CWQDSZXPBXHBTP-CQSZACIVSA-N 1 2 286.379 1.991 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cccn1)C2 ZINC001095173926 912574609 /nfs/dbraw/zinc/57/46/09/912574609.db2.gz DNHUPMSHGSUTST-AGIUHOORSA-N 1 2 294.786 1.357 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cccn1)C2 ZINC001095173926 912574621 /nfs/dbraw/zinc/57/46/21/912574621.db2.gz DNHUPMSHGSUTST-AGIUHOORSA-N 1 2 294.786 1.357 20 30 CDEDLO CC(C)(C)OC(=O)[C@H](CO)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173588235 912634282 /nfs/dbraw/zinc/63/42/82/912634282.db2.gz FDMWBQLUTBFZCD-AVERBVTBSA-N 1 2 282.384 1.751 20 30 CDEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cc[nH]n2)C1=O ZINC001272541899 913399520 /nfs/dbraw/zinc/39/95/20/913399520.db2.gz IKHKWVHECLSDDB-OAHLLOKOSA-N 1 2 274.368 1.553 20 30 CDEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2cc[nH]n2)C1=O ZINC001272541899 913399530 /nfs/dbraw/zinc/39/95/30/913399530.db2.gz IKHKWVHECLSDDB-OAHLLOKOSA-N 1 2 274.368 1.553 20 30 CDEDLO Cc1nc(NCC[C@@H](C)NC(=O)CSCC#N)cc[nH+]1 ZINC001106228329 913674350 /nfs/dbraw/zinc/67/43/50/913674350.db2.gz LYIACOCERHUTJK-SNVBAGLBSA-N 1 2 293.396 1.349 20 30 CDEDLO C[C@H](CC(=O)NCCC1(CNCC#N)CC1)n1cc[nH+]c1 ZINC001167348266 895393986 /nfs/dbraw/zinc/39/39/86/895393986.db2.gz DXNFLLJSSCGGKU-CYBMUJFWSA-N 1 2 289.383 1.234 20 30 CDEDLO N#Cc1ncc(Cl)nc1NC1CN(c2cccc[nH+]2)C1 ZINC001161319055 895727702 /nfs/dbraw/zinc/72/77/02/895727702.db2.gz IPTPCSADAAFTCW-UHFFFAOYSA-N 1 2 286.726 1.697 20 30 CDEDLO COC(=O)[C@H](CS)Nc1cc(N)c(C(F)(F)F)c[nH+]1 ZINC001167619131 897060181 /nfs/dbraw/zinc/06/01/81/897060181.db2.gz WYQKGXNFBGDNGM-ZETCQYMHSA-N 1 2 295.286 1.566 20 30 CDEDLO N#CC1(NC(=O)Cc2c[nH]c[nH+]2)Cc2ccccc2C1 ZINC001176835859 914300330 /nfs/dbraw/zinc/30/03/30/914300330.db2.gz FJWFLGVMQKLWGS-UHFFFAOYSA-N 1 2 266.304 1.130 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCC=C)C[C@H]21 ZINC001176954315 914397074 /nfs/dbraw/zinc/39/70/74/914397074.db2.gz ANCDEWHXXVSFJT-CABCVRRESA-N 1 2 276.380 1.278 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCC=C)C[C@H]21 ZINC001176954315 914397094 /nfs/dbraw/zinc/39/70/94/914397094.db2.gz ANCDEWHXXVSFJT-CABCVRRESA-N 1 2 276.380 1.278 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(N)=O)C2 ZINC001110198746 914415967 /nfs/dbraw/zinc/41/59/67/914415967.db2.gz IWFWJQHFDPQVAK-WOPDTQHZSA-N 1 2 299.802 1.116 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(N)=O)C2 ZINC001110198746 914415977 /nfs/dbraw/zinc/41/59/77/914415977.db2.gz IWFWJQHFDPQVAK-WOPDTQHZSA-N 1 2 299.802 1.116 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C)n3)[C@@H]2C1 ZINC001075620006 901832844 /nfs/dbraw/zinc/83/28/44/901832844.db2.gz WAXCBTDZZWORLI-WCQYABFASA-N 1 2 294.786 1.617 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C)n3)[C@@H]2C1 ZINC001075620006 901832855 /nfs/dbraw/zinc/83/28/55/901832855.db2.gz WAXCBTDZZWORLI-WCQYABFASA-N 1 2 294.786 1.617 20 30 CDEDLO C=CC1CCN(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001123793928 914662147 /nfs/dbraw/zinc/66/21/47/914662147.db2.gz GNJOCSBFEXETMA-UKRRQHHQSA-N 1 2 294.443 1.228 20 30 CDEDLO C=CC1CCN(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC001123793928 914662152 /nfs/dbraw/zinc/66/21/52/914662152.db2.gz GNJOCSBFEXETMA-UKRRQHHQSA-N 1 2 294.443 1.228 20 30 CDEDLO O=C(CCS)N1C[C@@H]2COC[C@H](C1)[N@@H+]2C1CCCC1 ZINC001268959578 903264210 /nfs/dbraw/zinc/26/42/10/903264210.db2.gz FLDDAELKRJKTQE-BETUJISGSA-N 1 2 284.425 1.161 20 30 CDEDLO O=C(CCS)N1C[C@@H]2COC[C@H](C1)[N@H+]2C1CCCC1 ZINC001268959578 903264217 /nfs/dbraw/zinc/26/42/17/903264217.db2.gz FLDDAELKRJKTQE-BETUJISGSA-N 1 2 284.425 1.161 20 30 CDEDLO Cc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C)C#N)C3)o1 ZINC001110401788 921164334 /nfs/dbraw/zinc/16/43/34/921164334.db2.gz NXNWJEZFGLTXGL-FRJFDASCSA-N 1 2 288.351 1.364 20 30 CDEDLO Cc1ncc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C)C#N)C3)o1 ZINC001110401788 921164338 /nfs/dbraw/zinc/16/43/38/921164338.db2.gz NXNWJEZFGLTXGL-FRJFDASCSA-N 1 2 288.351 1.364 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nc(C(F)F)no1 ZINC001128404668 921295422 /nfs/dbraw/zinc/29/54/22/921295422.db2.gz ATXKHOQNUJNWQB-UHFFFAOYSA-N 1 2 288.298 1.569 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc(OC)no1 ZINC001482592226 907619813 /nfs/dbraw/zinc/61/98/13/907619813.db2.gz WXAVMYUPFCDLIA-UHFFFAOYSA-N 1 2 287.747 1.440 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc(OC)no1 ZINC001482592226 907619816 /nfs/dbraw/zinc/61/98/16/907619816.db2.gz WXAVMYUPFCDLIA-UHFFFAOYSA-N 1 2 287.747 1.440 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC2(F)F)[C@H]1C ZINC001088556777 907856691 /nfs/dbraw/zinc/85/66/91/907856691.db2.gz LNYQNBUNABRFIA-BBBLOLIVSA-N 1 2 278.730 1.973 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC2(F)F)[C@H]1C ZINC001088556777 907856705 /nfs/dbraw/zinc/85/67/05/907856705.db2.gz LNYQNBUNABRFIA-BBBLOLIVSA-N 1 2 278.730 1.973 20 30 CDEDLO C#CCC1(C(=O)N(C)CCNc2cc[nH+]c(C)n2)CCC1 ZINC001101807332 908265226 /nfs/dbraw/zinc/26/52/26/908265226.db2.gz XFXAYMJDMKLCSA-UHFFFAOYSA-N 1 2 286.379 1.849 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC001189280519 921396306 /nfs/dbraw/zinc/39/63/06/921396306.db2.gz UAOLOIOHYWDAMW-CQSZACIVSA-N 1 2 276.384 1.419 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C)n2)C1 ZINC001189280519 921396315 /nfs/dbraw/zinc/39/63/15/921396315.db2.gz UAOLOIOHYWDAMW-CQSZACIVSA-N 1 2 276.384 1.419 20 30 CDEDLO COc1nc(C)nc(NC2C[NH+](C(C)C)C2)c1C#N ZINC001168312004 908972481 /nfs/dbraw/zinc/97/24/81/908972481.db2.gz UFXIFYOURPUCLQ-UHFFFAOYSA-N 1 2 261.329 1.170 20 30 CDEDLO CCc1nnc([C@H](C)[NH2+]CCNC(=O)C#CC(C)(C)C)o1 ZINC001126915689 909770139 /nfs/dbraw/zinc/77/01/39/909770139.db2.gz GZOOWKHWWWVATB-NSHDSACASA-N 1 2 292.383 1.448 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](F)C(C)C)CC2)C1 ZINC001093562326 910015257 /nfs/dbraw/zinc/01/52/57/910015257.db2.gz HFZQPGYNJFALIJ-OAHLLOKOSA-N 1 2 298.402 1.858 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CCC)s2)C1 ZINC001077071003 910176895 /nfs/dbraw/zinc/17/68/95/910176895.db2.gz BYHFPTYAZIXVOV-CHWSQXEVSA-N 1 2 294.420 1.662 20 30 CDEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CCC)s2)C1 ZINC001077071003 910176906 /nfs/dbraw/zinc/17/69/06/910176906.db2.gz BYHFPTYAZIXVOV-CHWSQXEVSA-N 1 2 294.420 1.662 20 30 CDEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)C(C)(C)C)CC2=O)C1 ZINC001094809361 910788813 /nfs/dbraw/zinc/78/88/13/910788813.db2.gz XDDJWDPYIHODJD-LBPRGKRZSA-N 1 2 293.411 1.010 20 30 CDEDLO C[C@@H](CCCCNCC#N)NC(=O)CCc1[nH+]ccn1C ZINC001171889179 911006067 /nfs/dbraw/zinc/00/60/67/911006067.db2.gz CLGKUQYLTKNACN-ZDUSSCGKSA-N 1 2 291.399 1.141 20 30 CDEDLO N#CCC[N@H+](Cc1cccnc1)[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172008984 911091771 /nfs/dbraw/zinc/09/17/71/911091771.db2.gz VWCGESWAFZWELE-MRXNPFEDSA-N 1 2 298.390 1.951 20 30 CDEDLO N#CCC[N@@H+](Cc1cccnc1)[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172008984 911091792 /nfs/dbraw/zinc/09/17/92/911091792.db2.gz VWCGESWAFZWELE-MRXNPFEDSA-N 1 2 298.390 1.951 20 30 CDEDLO C=CC[C@@](C)([NH2+][C@@H]1CCN(C2CC2)C(=O)C1)C(=O)OC ZINC001172017685 911111659 /nfs/dbraw/zinc/11/16/59/911111659.db2.gz YTSLGVCGORLZBC-IAQYHMDHSA-N 1 2 280.368 1.237 20 30 CDEDLO C=C[C@@H]1C[C@@]1([NH2+]C1C[C@H]2CC[C@@H](C1)O2)C(=O)OCC ZINC001172224520 911460357 /nfs/dbraw/zinc/46/03/57/911460357.db2.gz RKBMRIPOMNEFPX-JBMNRGHBSA-N 1 2 265.353 1.794 20 30 CDEDLO C=C[C@@H]1C[C@@]1([NH2+]C1C[C@@H]2C=C[C@H](C1)O2)C(=O)OCC ZINC001172234252 911476892 /nfs/dbraw/zinc/47/68/92/911476892.db2.gz GNGCRBNKUABPQW-JBMNRGHBSA-N 1 2 263.337 1.570 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+][C@H](C)CCOCC(C)C ZINC001172454058 911705682 /nfs/dbraw/zinc/70/56/82/911705682.db2.gz IUARKNGQMMEZSS-NEPJUHHUSA-N 1 2 277.430 1.889 20 30 CDEDLO C=CC[C@@H]([NH2+][C@@H]1CCC[C@@H](C(=O)OC)C1)C(=O)OC ZINC001172598265 911765778 /nfs/dbraw/zinc/76/57/78/911765778.db2.gz BQXJODDMNFONTM-IJLUTSLNSA-N 1 2 269.341 1.426 20 30 CDEDLO Cc1[nH]c(NC(=O)[C@H]2CCc3[nH+]ccn3C2)c(C#N)c1C ZINC001178101225 915168566 /nfs/dbraw/zinc/16/85/66/915168566.db2.gz SUXGIKBLDASEEZ-NSHDSACASA-N 1 2 283.335 1.901 20 30 CDEDLO Cc1coc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1C#N ZINC001178102077 915171778 /nfs/dbraw/zinc/17/17/78/915171778.db2.gz HLINMNTVVQFQPX-SNVBAGLBSA-N 1 2 270.292 1.857 20 30 CDEDLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)[C@H](C)C#N ZINC001179890007 916024327 /nfs/dbraw/zinc/02/43/27/916024327.db2.gz RFOJWOYYXBBMMV-SNVBAGLBSA-N 1 2 299.334 1.936 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C1(COCC)CC1 ZINC001485319747 916806315 /nfs/dbraw/zinc/80/63/15/916806315.db2.gz KVRXYXVRYWTGOW-GFCCVEGCSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C1(COCC)CC1 ZINC001485319747 916806328 /nfs/dbraw/zinc/80/63/28/916806328.db2.gz KVRXYXVRYWTGOW-GFCCVEGCSA-N 1 2 288.819 1.992 20 30 CDEDLO CNc1ccc(C#N)cc1NC(=O)Cc1cc[nH+]c(N)c1 ZINC001181264246 916950698 /nfs/dbraw/zinc/95/06/98/916950698.db2.gz UYSKYESLWXSINJ-UHFFFAOYSA-N 1 2 281.319 1.758 20 30 CDEDLO N#Cc1cc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c(F)cc1F ZINC001237523596 917473335 /nfs/dbraw/zinc/47/33/35/917473335.db2.gz BMUFNDFVIBSBOH-YMTOWFKASA-N 1 2 282.290 1.012 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c(F)cc1F ZINC001237523596 917473345 /nfs/dbraw/zinc/47/33/45/917473345.db2.gz BMUFNDFVIBSBOH-YMTOWFKASA-N 1 2 282.290 1.012 20 30 CDEDLO COc1ccc(C#CC(=O)N2CCc3[nH+]ccn3CC2)cc1 ZINC001182047370 917629233 /nfs/dbraw/zinc/62/92/33/917629233.db2.gz PXEHDPALVJFDNN-UHFFFAOYSA-N 1 2 295.342 1.328 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnc3ccccc3c2)CC1 ZINC001137282564 936441604 /nfs/dbraw/zinc/44/16/04/936441604.db2.gz AXUOQNOXBZPJBF-UHFFFAOYSA-N 1 2 265.360 1.986 20 30 CDEDLO Cc1c[nH]c(CCNC(=O)CCc2cccc(C#N)c2)[nH+]1 ZINC001182341020 917795841 /nfs/dbraw/zinc/79/58/41/917795841.db2.gz CTCIWZJSIYYNFH-UHFFFAOYSA-N 1 2 282.347 1.881 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCOC(C)C)C1 ZINC001107757656 918744026 /nfs/dbraw/zinc/74/40/26/918744026.db2.gz RUUWVSYFLRRCDP-MRXNPFEDSA-N 1 2 296.411 1.032 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCOC(C)C)C1 ZINC001107757656 918744037 /nfs/dbraw/zinc/74/40/37/918744037.db2.gz RUUWVSYFLRRCDP-MRXNPFEDSA-N 1 2 296.411 1.032 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NC[C@@]1(C)C[N@H+](CC=C)CCO1 ZINC001107794265 918785722 /nfs/dbraw/zinc/78/57/22/918785722.db2.gz YUMUFSLQLCMSGH-ZBFHGGJFSA-N 1 2 296.411 1.361 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NC[C@@]1(C)C[N@@H+](CC=C)CCO1 ZINC001107794265 918785733 /nfs/dbraw/zinc/78/57/33/918785733.db2.gz YUMUFSLQLCMSGH-ZBFHGGJFSA-N 1 2 296.411 1.361 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCC[C@H]2CO)CC1 ZINC001184170680 918900337 /nfs/dbraw/zinc/90/03/37/918900337.db2.gz XXAZNJVNWLIIPB-KBPBESRZSA-N 1 2 266.385 1.115 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)SC)C1 ZINC001107872832 918947484 /nfs/dbraw/zinc/94/74/84/918947484.db2.gz UDCKVTXJQZRVCE-TZMCWYRMSA-N 1 2 286.441 1.521 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)SC)C1 ZINC001107872832 918947496 /nfs/dbraw/zinc/94/74/96/918947496.db2.gz UDCKVTXJQZRVCE-TZMCWYRMSA-N 1 2 286.441 1.521 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)SC)C1 ZINC001107878656 918972576 /nfs/dbraw/zinc/97/25/76/918972576.db2.gz FURAZJGGCWCYRO-TZMCWYRMSA-N 1 2 286.441 1.521 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)SC)C1 ZINC001107878656 918972587 /nfs/dbraw/zinc/97/25/87/918972587.db2.gz FURAZJGGCWCYRO-TZMCWYRMSA-N 1 2 286.441 1.521 20 30 CDEDLO C=CCc1cccc(C[N@H+]2CCN(CC)C(=O)C2)c1O ZINC001138628630 936552255 /nfs/dbraw/zinc/55/22/55/936552255.db2.gz ZEPVKBRMFIGNGW-UHFFFAOYSA-N 1 2 274.364 1.785 20 30 CDEDLO C=CCc1cccc(C[N@@H+]2CCN(CC)C(=O)C2)c1O ZINC001138628630 936552256 /nfs/dbraw/zinc/55/22/56/936552256.db2.gz ZEPVKBRMFIGNGW-UHFFFAOYSA-N 1 2 274.364 1.785 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1OCC[C@H]1C ZINC001051117643 936568582 /nfs/dbraw/zinc/56/85/82/936568582.db2.gz GHROHIGRHWSIKI-KFWWJZLASA-N 1 2 296.411 1.195 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1OCC[C@H]1C ZINC001051117643 936568583 /nfs/dbraw/zinc/56/85/83/936568583.db2.gz GHROHIGRHWSIKI-KFWWJZLASA-N 1 2 296.411 1.195 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001051143253 936569235 /nfs/dbraw/zinc/56/92/35/936569235.db2.gz RODSWDXWRDIRIN-STQMWFEESA-N 1 2 264.369 1.180 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001051143253 936569237 /nfs/dbraw/zinc/56/92/37/936569237.db2.gz RODSWDXWRDIRIN-STQMWFEESA-N 1 2 264.369 1.180 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2C=CC=CC=C2)C1 ZINC001107976477 919435792 /nfs/dbraw/zinc/43/57/92/919435792.db2.gz NLYMEVUEYTXSJT-QGZVFWFLSA-N 1 2 288.391 1.678 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2C=CC=CC=C2)C1 ZINC001107976477 919435797 /nfs/dbraw/zinc/43/57/97/919435797.db2.gz NLYMEVUEYTXSJT-QGZVFWFLSA-N 1 2 288.391 1.678 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(C3CC3)CC2)C1 ZINC001108015381 919958892 /nfs/dbraw/zinc/95/88/92/919958892.db2.gz WOLHHRZCRHYQEV-INIZCTEOSA-N 1 2 290.407 1.407 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(C3CC3)CC2)C1 ZINC001108015381 919958902 /nfs/dbraw/zinc/95/89/02/919958902.db2.gz WOLHHRZCRHYQEV-INIZCTEOSA-N 1 2 290.407 1.407 20 30 CDEDLO Cc1conc1C[N@@H+](C)[C@H]1CCN(C(=O)C#CC(C)C)C1 ZINC001190053520 921817710 /nfs/dbraw/zinc/81/77/10/921817710.db2.gz JSEJGSNMJRMDAS-AWEZNQCLSA-N 1 2 289.379 1.675 20 30 CDEDLO Cc1conc1C[N@H+](C)[C@H]1CCN(C(=O)C#CC(C)C)C1 ZINC001190053520 921817719 /nfs/dbraw/zinc/81/77/19/921817719.db2.gz JSEJGSNMJRMDAS-AWEZNQCLSA-N 1 2 289.379 1.675 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C\C3CC3)C[C@@H]21 ZINC001074200886 936734965 /nfs/dbraw/zinc/73/49/65/936734965.db2.gz BLVCUCPJIVNBRA-LGZALOBFSA-N 1 2 290.407 1.830 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C\C3CC3)C[C@@H]21 ZINC001074200886 936734967 /nfs/dbraw/zinc/73/49/67/936734967.db2.gz BLVCUCPJIVNBRA-LGZALOBFSA-N 1 2 290.407 1.830 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]cnc1C)C2 ZINC001098514590 936753153 /nfs/dbraw/zinc/75/31/53/936753153.db2.gz ARYWVLTVVATRJS-UTUOFQBUSA-N 1 2 294.786 1.806 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]cnc1C)C2 ZINC001098514590 936753155 /nfs/dbraw/zinc/75/31/55/936753155.db2.gz ARYWVLTVVATRJS-UTUOFQBUSA-N 1 2 294.786 1.806 20 30 CDEDLO C#Cc1ccccc1C(=O)N1CC[NH+](CC=C)CC1 ZINC001191107484 922397790 /nfs/dbraw/zinc/39/77/90/922397790.db2.gz PIPLQGMBLGLKGV-UHFFFAOYSA-N 1 2 254.333 1.612 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001108125237 922605074 /nfs/dbraw/zinc/60/50/74/922605074.db2.gz AVRWXXBBHXKBGH-YRGRVCCFSA-N 1 2 252.358 1.036 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001108125237 922605082 /nfs/dbraw/zinc/60/50/82/922605082.db2.gz AVRWXXBBHXKBGH-YRGRVCCFSA-N 1 2 252.358 1.036 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]ccc2C)[C@@H](O)C1 ZINC001090233186 922717531 /nfs/dbraw/zinc/71/75/31/922717531.db2.gz FOAKBBSFQFMADE-RYUDHWBXSA-N 1 2 297.786 1.241 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]ccc2C)[C@@H](O)C1 ZINC001090233186 922717544 /nfs/dbraw/zinc/71/75/44/922717544.db2.gz FOAKBBSFQFMADE-RYUDHWBXSA-N 1 2 297.786 1.241 20 30 CDEDLO C[Si](C)(C)C#Cc1ccc(-n2[nH]c(=O)nc2C[NH3+])nc1 ZINC001168756490 922758977 /nfs/dbraw/zinc/75/89/77/922758977.db2.gz NCGGFEYWQLCOCF-UHFFFAOYSA-N 1 2 287.399 1.056 20 30 CDEDLO CCC(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001099546877 936790816 /nfs/dbraw/zinc/79/08/16/936790816.db2.gz SZFLBQNYJVKBCR-UHFFFAOYSA-N 1 2 287.363 1.643 20 30 CDEDLO C#CCC1(C(=O)NCC[NH2+]Cc2ncc(CC)o2)CCC1 ZINC001129121480 922926908 /nfs/dbraw/zinc/92/69/08/922926908.db2.gz WWVKFTXEVOXVHR-UHFFFAOYSA-N 1 2 289.379 1.636 20 30 CDEDLO O=C1C=C2C[N@H+](Cc3cc(O)ccc3O)CC[C@H]2S1 ZINC001141157882 936822340 /nfs/dbraw/zinc/82/23/40/936822340.db2.gz OVCJKXJSKOUPQX-CYBMUJFWSA-N 1 2 277.345 1.872 20 30 CDEDLO O=C1C=C2C[N@@H+](Cc3cc(O)ccc3O)CC[C@H]2S1 ZINC001141157882 936822342 /nfs/dbraw/zinc/82/23/42/936822342.db2.gz OVCJKXJSKOUPQX-CYBMUJFWSA-N 1 2 277.345 1.872 20 30 CDEDLO C[C@H](C#N)S(=O)(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001193146980 923492902 /nfs/dbraw/zinc/49/29/02/923492902.db2.gz VLXOUBHFBSFOJV-LLVKDONJSA-N 1 2 290.348 1.585 20 30 CDEDLO C=CCOC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC001194331194 924185706 /nfs/dbraw/zinc/18/57/06/924185706.db2.gz VAOWYGZMFBOQMD-UHFFFAOYSA-N 1 2 290.363 1.931 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(C)=O)C2)c1 ZINC001079328857 924240468 /nfs/dbraw/zinc/24/04/68/924240468.db2.gz QDGJWJHWOYTRTR-MLGOLLRUSA-N 1 2 299.374 1.063 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(C)=O)C2)c1 ZINC001079328857 924240481 /nfs/dbraw/zinc/24/04/81/924240481.db2.gz QDGJWJHWOYTRTR-MLGOLLRUSA-N 1 2 299.374 1.063 20 30 CDEDLO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3cn[nH]c32)C1 ZINC001079699626 924407862 /nfs/dbraw/zinc/40/78/62/924407862.db2.gz TUBPZCFJNAJKHY-KWCYVHTRSA-N 1 2 288.395 1.452 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3cn[nH]c32)C1 ZINC001079699626 924407867 /nfs/dbraw/zinc/40/78/67/924407867.db2.gz TUBPZCFJNAJKHY-KWCYVHTRSA-N 1 2 288.395 1.452 20 30 CDEDLO CC[C@H](SC)C(=O)N1CCC[N@H+](CC#CCOC)CC1 ZINC001195496039 924629795 /nfs/dbraw/zinc/62/97/95/924629795.db2.gz BOKXJERSJDTNNI-AWEZNQCLSA-N 1 2 298.452 1.312 20 30 CDEDLO CC[C@H](SC)C(=O)N1CCC[N@@H+](CC#CCOC)CC1 ZINC001195496039 924629798 /nfs/dbraw/zinc/62/97/98/924629798.db2.gz BOKXJERSJDTNNI-AWEZNQCLSA-N 1 2 298.452 1.312 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2Cl)[C@H](OC)C1 ZINC001082338810 924904946 /nfs/dbraw/zinc/90/49/46/924904946.db2.gz FYNIIJNTCINOQK-ZIAGYGMSSA-N 1 2 292.766 1.402 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2Cl)[C@H](OC)C1 ZINC001082338810 924904955 /nfs/dbraw/zinc/90/49/55/924904955.db2.gz FYNIIJNTCINOQK-ZIAGYGMSSA-N 1 2 292.766 1.402 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc3c2CCC3)[C@H](OC)C1 ZINC001082392910 924912292 /nfs/dbraw/zinc/91/22/92/924912292.db2.gz GZDQBUFMHFHNAA-IAGOWNOFSA-N 1 2 298.386 1.238 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc3c2CCC3)[C@H](OC)C1 ZINC001082392910 924912299 /nfs/dbraw/zinc/91/22/99/924912299.db2.gz GZDQBUFMHFHNAA-IAGOWNOFSA-N 1 2 298.386 1.238 20 30 CDEDLO CCCN(CCNC(=O)[C@H](C)C#N)c1cc[nH+]c(C)n1 ZINC001101109067 936958604 /nfs/dbraw/zinc/95/86/04/936958604.db2.gz FHJMKCIYRJMWRJ-LLVKDONJSA-N 1 2 275.356 1.277 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)Oc1cccnc1Cl ZINC001164641382 924960624 /nfs/dbraw/zinc/96/06/24/924960624.db2.gz KOXUUWGAEDVDPM-MRVPVSSYSA-N 1 2 288.685 1.461 20 30 CDEDLO O=C(C#CC1CC1)N1CCO[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]21 ZINC001083075509 925084041 /nfs/dbraw/zinc/08/40/41/925084041.db2.gz YCVLNEAIAQKWLE-WCHVLPBOSA-N 1 2 294.782 1.064 20 30 CDEDLO O=C(C#CC1CC1)N1CCO[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]21 ZINC001083075509 925084051 /nfs/dbraw/zinc/08/40/51/925084051.db2.gz YCVLNEAIAQKWLE-WCHVLPBOSA-N 1 2 294.782 1.064 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2ccnc(C)c2)CC1 ZINC001142249652 936995001 /nfs/dbraw/zinc/99/50/01/936995001.db2.gz PVPASQUQZMSSQH-UHFFFAOYSA-N 1 2 273.380 1.653 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)CSC)c1nccn12 ZINC001101604019 936993870 /nfs/dbraw/zinc/99/38/70/936993870.db2.gz LCYDNOHEIMBMDY-NSHDSACASA-N 1 2 292.408 1.004 20 30 CDEDLO N#Cc1c[nH]nc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000082288646 925808733 /nfs/dbraw/zinc/80/87/33/925808733.db2.gz UBCKYIPOAOIQMV-UHFFFAOYSA-N 1 2 278.275 1.719 20 30 CDEDLO C=C/C(C)=C/CC(=O)N[C@@H]1CC[N@H+](CC(=C)Cl)C[C@@H]1O ZINC001099953444 925825531 /nfs/dbraw/zinc/82/55/31/925825531.db2.gz AAUCENFPULQDFZ-BKUFQFCKSA-N 1 2 298.814 1.813 20 30 CDEDLO C=C/C(C)=C/CC(=O)N[C@@H]1CC[N@@H+](CC(=C)Cl)C[C@@H]1O ZINC001099953444 925825542 /nfs/dbraw/zinc/82/55/42/925825542.db2.gz AAUCENFPULQDFZ-BKUFQFCKSA-N 1 2 298.814 1.813 20 30 CDEDLO COc1cccc(NC(=O)[C@@H]2CC3CC[NH+]2CC3)c1C#N ZINC001142633237 937043825 /nfs/dbraw/zinc/04/38/25/937043825.db2.gz TXSZOHLJCGIQFF-AWEZNQCLSA-N 1 2 285.347 1.990 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC3(C2)C[NH+](Cc2ccc[nH]2)C3)o1 ZINC001273821732 926039448 /nfs/dbraw/zinc/03/94/48/926039448.db2.gz 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/nfs/dbraw/zinc/28/89/30/926288930.db2.gz GFYQPGZKCPMJKH-AWEZNQCLSA-N 1 2 296.374 1.422 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncn2ccc(C)cc12 ZINC001085683995 926288939 /nfs/dbraw/zinc/28/89/39/926288939.db2.gz GFYQPGZKCPMJKH-AWEZNQCLSA-N 1 2 296.374 1.422 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(CC)nnc1C ZINC001085741988 926344718 /nfs/dbraw/zinc/34/47/18/926344718.db2.gz FQECAPGSYKOWQD-CQSZACIVSA-N 1 2 286.379 1.127 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(CC)nnc1C ZINC001085741988 926344735 /nfs/dbraw/zinc/34/47/35/926344735.db2.gz FQECAPGSYKOWQD-CQSZACIVSA-N 1 2 286.379 1.127 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2onc(C)c2c1 ZINC001085755074 926360118 /nfs/dbraw/zinc/36/01/18/926360118.db2.gz WHAPFTOYDCGDTO-CYBMUJFWSA-N 1 2 298.346 1.311 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2onc(C)c2c1 ZINC001085755074 926360126 /nfs/dbraw/zinc/36/01/26/926360126.db2.gz WHAPFTOYDCGDTO-CYBMUJFWSA-N 1 2 298.346 1.311 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(F)cc(F)cc1F ZINC001085790746 926399426 /nfs/dbraw/zinc/39/94/26/926399426.db2.gz RFBYIGKMBQEZHW-LLVKDONJSA-N 1 2 296.292 1.883 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(F)cc(F)cc1F ZINC001085790746 926399432 /nfs/dbraw/zinc/39/94/32/926399432.db2.gz RFBYIGKMBQEZHW-LLVKDONJSA-N 1 2 296.292 1.883 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2cccnn21 ZINC001085860083 926459127 /nfs/dbraw/zinc/45/91/27/926459127.db2.gz QDDUUJQILFFCNW-CQSZACIVSA-N 1 2 282.347 1.114 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2cccnn21 ZINC001085860083 926459130 /nfs/dbraw/zinc/45/91/30/926459130.db2.gz QDDUUJQILFFCNW-CQSZACIVSA-N 1 2 282.347 1.114 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ncoc1C(C)(C)C ZINC001085917303 926502159 /nfs/dbraw/zinc/50/21/59/926502159.db2.gz VYJBMBOXEVOZJA-GFCCVEGCSA-N 1 2 289.379 1.752 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncoc1C(C)(C)C ZINC001085917303 926502170 /nfs/dbraw/zinc/50/21/70/926502170.db2.gz VYJBMBOXEVOZJA-GFCCVEGCSA-N 1 2 289.379 1.752 20 30 CDEDLO CC(=O)[C@H]1C[N@H+](Cc2c[nH]c3cc(C#N)ccc23)CCO1 ZINC001142930921 937095286 /nfs/dbraw/zinc/09/52/86/937095286.db2.gz NPFAVCZIOJZOMM-MRXNPFEDSA-N 1 2 283.331 1.829 20 30 CDEDLO CC(=O)[C@H]1C[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)CCO1 ZINC001142930921 937095289 /nfs/dbraw/zinc/09/52/89/937095289.db2.gz NPFAVCZIOJZOMM-MRXNPFEDSA-N 1 2 283.331 1.829 20 30 CDEDLO COCCOC1C[NH+](Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142929314 937095613 /nfs/dbraw/zinc/09/56/13/937095613.db2.gz CTNIVPDWQWMBPR-UHFFFAOYSA-N 1 2 285.347 1.887 20 30 CDEDLO Cc1ccc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)c(N)n1 ZINC001143199476 937134172 /nfs/dbraw/zinc/13/41/72/937134172.db2.gz DWOLMTTWDRXTKR-GFCCVEGCSA-N 1 2 275.377 1.746 20 30 CDEDLO Cc1nc(NC[C@@H](C)CNC(=O)C#CC2CC2)cc[nH+]1 ZINC001103936091 937178557 /nfs/dbraw/zinc/17/85/57/937178557.db2.gz DRTOUSNZCMHWEV-LLVKDONJSA-N 1 2 272.352 1.363 20 30 CDEDLO CC(C)(C)C#CC(=O)NC[C@@H]1C[N@H+](CCF)CCCO1 ZINC001149701734 937200974 /nfs/dbraw/zinc/20/09/74/937200974.db2.gz WDAYBNNMALFNLK-CYBMUJFWSA-N 1 2 284.375 1.213 20 30 CDEDLO CC(C)(C)C#CC(=O)NC[C@@H]1C[N@@H+](CCF)CCCO1 ZINC001149701734 937200975 /nfs/dbraw/zinc/20/09/75/937200975.db2.gz WDAYBNNMALFNLK-CYBMUJFWSA-N 1 2 284.375 1.213 20 30 CDEDLO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](C#N)C2)CO1 ZINC001169402497 927988292 /nfs/dbraw/zinc/98/82/92/927988292.db2.gz DEAQMCIOQFWTLJ-AGIUHOORSA-N 1 2 266.341 1.333 20 30 CDEDLO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCC[C@H](C#N)C2)CO1 ZINC001169402497 927988297 /nfs/dbraw/zinc/98/82/97/927988297.db2.gz DEAQMCIOQFWTLJ-AGIUHOORSA-N 1 2 266.341 1.333 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@H](F)Oc1cccc(Cl)n1 ZINC001156320293 928042407 /nfs/dbraw/zinc/04/24/07/928042407.db2.gz WDBUBBRVJRMBCO-KWQFWETISA-N 1 2 270.695 1.164 20 30 CDEDLO C=C[C@@H](CO)Nc1cc[nH+]c(OC2CCOCC2)c1 ZINC001169784643 928438260 /nfs/dbraw/zinc/43/82/60/928438260.db2.gz PIUBKLVZVDBLMP-NSHDSACASA-N 1 2 264.325 1.598 20 30 CDEDLO O=C1C=C2C[N@H+]([C@H]3CCCC4(C3)OCCO4)CC[C@@H]2S1 ZINC001169934446 928526016 /nfs/dbraw/zinc/52/60/16/928526016.db2.gz MSEJFPMVPZPLQT-STQMWFEESA-N 1 2 295.404 1.946 20 30 CDEDLO O=C1C=C2C[N@@H+]([C@H]3CCCC4(C3)OCCO4)CC[C@@H]2S1 ZINC001169934446 928526025 /nfs/dbraw/zinc/52/60/25/928526025.db2.gz MSEJFPMVPZPLQT-STQMWFEESA-N 1 2 295.404 1.946 20 30 CDEDLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(OC)c(C#N)c1 ZINC001152348116 937355292 /nfs/dbraw/zinc/35/52/92/937355292.db2.gz IUFQVSCCTWBNFJ-GFCCVEGCSA-N 1 2 259.309 1.600 20 30 CDEDLO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccc(OC)c(C#N)c1 ZINC001152348116 937355295 /nfs/dbraw/zinc/35/52/95/937355295.db2.gz IUFQVSCCTWBNFJ-GFCCVEGCSA-N 1 2 259.309 1.600 20 30 CDEDLO Nc1nc2c(s1)C(=[NH+]OC[C@H]1CCOC1)CCC2 ZINC000814912214 929892021 /nfs/dbraw/zinc/89/20/21/929892021.db2.gz MLHRYGJMESREAM-QMMMGPOBSA-N 1 2 267.354 1.819 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc3cc[nH]cc2-3)CC1 ZINC001152976563 937404418 /nfs/dbraw/zinc/40/44/18/937404418.db2.gz STFTWHJFWPHXQI-UHFFFAOYSA-N 1 2 270.336 1.507 20 30 CDEDLO COc1cccc(O)c1/C=N/CC[N@@H+]1CCOC[C@@H]1C ZINC001115993129 937426557 /nfs/dbraw/zinc/42/65/57/937426557.db2.gz WPCRHLWFACEXKU-SEJMYLSOSA-N 1 2 278.352 1.540 20 30 CDEDLO COc1cccc(O)c1/C=N/CC[N@H+]1CCOC[C@@H]1C ZINC001115993129 937426558 /nfs/dbraw/zinc/42/65/58/937426558.db2.gz WPCRHLWFACEXKU-SEJMYLSOSA-N 1 2 278.352 1.540 20 30 CDEDLO C=CCn1cnn(C[N@H+]2CC[C@H](COCC)C2)c1=S ZINC001116201710 937436461 /nfs/dbraw/zinc/43/64/61/937436461.db2.gz XNLBAJSEHQBTEV-LBPRGKRZSA-N 1 2 282.413 1.916 20 30 CDEDLO C=CCn1cnn(C[N@@H+]2CC[C@H](COCC)C2)c1=S ZINC001116201710 937436464 /nfs/dbraw/zinc/43/64/64/937436464.db2.gz XNLBAJSEHQBTEV-LBPRGKRZSA-N 1 2 282.413 1.916 20 30 CDEDLO COCC[N@H+](CCC#N)C[C@@H](O)CC1(C#N)CCC1 ZINC000886030332 930793521 /nfs/dbraw/zinc/79/35/21/930793521.db2.gz JIUAHOUBMCKJCA-ZDUSSCGKSA-N 1 2 265.357 1.293 20 30 CDEDLO COCC[N@@H+](CCC#N)C[C@@H](O)CC1(C#N)CCC1 ZINC000886030332 930793530 /nfs/dbraw/zinc/79/35/30/930793530.db2.gz JIUAHOUBMCKJCA-ZDUSSCGKSA-N 1 2 265.357 1.293 20 30 CDEDLO N#CCC[NH+]1CCC2(C[C@@H]2C(=O)NCc2cnoc2)CC1 ZINC001274032603 931135556 /nfs/dbraw/zinc/13/55/56/931135556.db2.gz TUPNYGMQSNVXLK-CYBMUJFWSA-N 1 2 288.351 1.307 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3c(N)n[nH]c3c2)CC1 ZINC001154174894 937513708 /nfs/dbraw/zinc/51/37/08/937513708.db2.gz WUPMIVHSNFSTFH-UHFFFAOYSA-N 1 2 285.351 1.089 20 30 CDEDLO C#CC(=O)NCCSCc1csc(C[NH+](C)C)n1 ZINC001143915951 931588394 /nfs/dbraw/zinc/58/83/94/931588394.db2.gz QPTJGYUTUAGNGX-UHFFFAOYSA-N 1 2 283.422 1.187 20 30 CDEDLO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C)c(C#N)c1 ZINC001275616194 931908689 /nfs/dbraw/zinc/90/86/89/931908689.db2.gz DRNYYQHUGFQPHT-IYBDPMFKSA-N 1 2 271.364 1.382 20 30 CDEDLO Cc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3C)c(C#N)c1 ZINC001275616194 931908693 /nfs/dbraw/zinc/90/86/93/931908693.db2.gz DRNYYQHUGFQPHT-IYBDPMFKSA-N 1 2 271.364 1.382 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](O)c2ccc(OC)cc2)CC1 ZINC001144774319 932010774 /nfs/dbraw/zinc/01/07/74/932010774.db2.gz HTAVBJYDYDWRLP-OAHLLOKOSA-N 1 2 290.363 1.059 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2CN(C(=O)C(F)C(F)(F)F)C[C@]2(C)C1 ZINC001091690483 932677560 /nfs/dbraw/zinc/67/75/60/932677560.db2.gz IUPDNZXKXGNJNF-SCVCMEIPSA-N 1 2 294.292 1.853 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2CN(C(=O)C(F)C(F)(F)F)C[C@]2(C)C1 ZINC001091690483 932677564 /nfs/dbraw/zinc/67/75/64/932677564.db2.gz IUPDNZXKXGNJNF-SCVCMEIPSA-N 1 2 294.292 1.853 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](F)C(F)(F)F)C[C@]2(C)C1 ZINC001091690483 932677568 /nfs/dbraw/zinc/67/75/68/932677568.db2.gz IUPDNZXKXGNJNF-SCVCMEIPSA-N 1 2 294.292 1.853 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](F)C(F)(F)F)C[C@]2(C)C1 ZINC001091690483 932677575 /nfs/dbraw/zinc/67/75/75/932677575.db2.gz IUPDNZXKXGNJNF-SCVCMEIPSA-N 1 2 294.292 1.853 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C(C)(C)F)C1 ZINC001149030387 932823774 /nfs/dbraw/zinc/82/37/74/932823774.db2.gz VAVMTAPRGUJGAC-NSHDSACASA-N 1 2 292.782 1.694 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C(C)(C)F)C1 ZINC001149030387 932823783 /nfs/dbraw/zinc/82/37/83/932823783.db2.gz VAVMTAPRGUJGAC-NSHDSACASA-N 1 2 292.782 1.694 20 30 CDEDLO C=CCOCC(=O)NCCCN(CC)c1cc[nH+]c(C)n1 ZINC001095846015 934730314 /nfs/dbraw/zinc/73/03/14/934730314.db2.gz ILIYKSZOKPUHIT-UHFFFAOYSA-N 1 2 292.383 1.320 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3coc(C)n3)C[C@H]21 ZINC001114686562 934914572 /nfs/dbraw/zinc/91/45/72/934914572.db2.gz NUSUYIGKEIYZDS-WDNDVIMCSA-N 1 2 289.379 1.742 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3coc(C)n3)C[C@H]21 ZINC001114686562 934914577 /nfs/dbraw/zinc/91/45/77/934914577.db2.gz NUSUYIGKEIYZDS-WDNDVIMCSA-N 1 2 289.379 1.742 20 30 CDEDLO Cc1nc(NC[C@H]2C[C@H](NC(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001114748861 934951763 /nfs/dbraw/zinc/95/17/63/934951763.db2.gz LKZCDXYFWDXHRD-YUSALJHKSA-N 1 2 273.340 1.251 20 30 CDEDLO COc1ccc(CN2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c(C#N)c1 ZINC001276314760 935006104 /nfs/dbraw/zinc/00/61/04/935006104.db2.gz NYGLXFJYIVFVIL-HOTGVXAUSA-N 1 2 287.363 1.082 20 30 CDEDLO COc1ccc(CN2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c(C#N)c1 ZINC001276314760 935006109 /nfs/dbraw/zinc/00/61/09/935006109.db2.gz NYGLXFJYIVFVIL-HOTGVXAUSA-N 1 2 287.363 1.082 20 30 CDEDLO C#CC[NH+]1CCC(C)(NC(=O)c2n[nH]c3ccccc32)CC1 ZINC001045633121 935888999 /nfs/dbraw/zinc/88/89/99/935888999.db2.gz WQWNXOUABFVJJV-UHFFFAOYSA-N 1 2 296.374 1.780 20 30 CDEDLO C=CCCCC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096470609 936108906 /nfs/dbraw/zinc/10/89/06/936108906.db2.gz XOBMNOFIKWCJDY-ZDUSSCGKSA-N 1 2 274.368 1.836 20 30 CDEDLO CC(C)[NH+]1CC(Nc2ncc(Cl)nc2C#N)C1 ZINC001157525966 938504558 /nfs/dbraw/zinc/50/45/58/938504558.db2.gz LQCPNPVDKJJXPW-UHFFFAOYSA-N 1 2 251.721 1.506 20 30 CDEDLO CN(c1cc(CC#N)cc[nH+]1)[C@H]1CCC2(C1)OCCO2 ZINC001157721714 938536449 /nfs/dbraw/zinc/53/64/49/938536449.db2.gz BSDGTHPBKFIDLU-ZDUSSCGKSA-N 1 2 273.336 1.879 20 30 CDEDLO COc1nc(NCCc2cn3ccccc3[nH+]2)ncc1C#N ZINC001158142933 938587504 /nfs/dbraw/zinc/58/75/04/938587504.db2.gz ZCZZFMVFENOWPK-UHFFFAOYSA-N 1 2 294.318 1.659 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(NC[C@H]3CNC(=O)CO3)c2c1 ZINC001158390134 938617548 /nfs/dbraw/zinc/61/75/48/938617548.db2.gz XRZHHQQXOVGGDL-GFCCVEGCSA-N 1 2 282.303 1.033 20 30 CDEDLO N#Cc1c(F)ccnc1N[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC001160723400 938819735 /nfs/dbraw/zinc/81/97/35/938819735.db2.gz GOHXKBSQEAFDQJ-KGLIPLIRSA-N 1 2 290.342 1.758 20 30 CDEDLO CCOC(=O)[C@H]([NH3+])CNc1nc(Cl)c(F)cc1C#N ZINC001161945638 938946648 /nfs/dbraw/zinc/94/66/48/938946648.db2.gz LZRDVWRSANBVLI-MRVPVSSYSA-N 1 2 286.694 1.048 20 30 CDEDLO CCOC(=O)[C@H]([NH3+])CNc1ccc(C2(C#N)CCC2)cn1 ZINC001161950921 938947754 /nfs/dbraw/zinc/94/77/54/938947754.db2.gz WWKBGTZZBYEQHA-GFCCVEGCSA-N 1 2 288.351 1.329 20 30 CDEDLO COC(=O)c1c[nH]c2nc(NCC3(C#N)CCC3)[nH+]cc12 ZINC001162407065 939047584 /nfs/dbraw/zinc/04/75/84/939047584.db2.gz WJGPYNDWVIIRBT-UHFFFAOYSA-N 1 2 285.307 1.802 20 30 CDEDLO C=CCc1cc(C)c[nH+]c1N[C@@H]1CCS(=O)(=O)C1 ZINC001162495292 939069411 /nfs/dbraw/zinc/06/94/11/939069411.db2.gz RFPMCDJYGZEAPK-GFCCVEGCSA-N 1 2 266.366 1.718 20 30 CDEDLO CC#CC[NH2+]CCCNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001163788335 939332009 /nfs/dbraw/zinc/33/20/09/939332009.db2.gz AOWFOEZSDIQHHO-UHFFFAOYSA-N 1 2 297.362 1.205 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2ccc(/C(C)=N/O)cc2)C[NH2+]1 ZINC001164312041 939452013 /nfs/dbraw/zinc/45/20/13/939452013.db2.gz KLZQZQMOLVOQEM-OAMQDSFOSA-N 1 2 277.324 1.200 20 30 CDEDLO N#CCc1cc[nH+]c(N2CCC[C@H](n3cncn3)C2)c1 ZINC001166915700 939648986 /nfs/dbraw/zinc/64/89/86/939648986.db2.gz MXCWMFLJTDCQCA-ZDUSSCGKSA-N 1 2 268.324 1.581 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1-c1cc(F)c(C#N)c(F)c1 ZINC001203668359 939700219 /nfs/dbraw/zinc/70/02/19/939700219.db2.gz GFEOQSNHJVWMKJ-UHFFFAOYSA-N 1 2 292.245 1.781 20 30 CDEDLO N#Cc1cccc(C[NH+]2CCN(c3ncncn3)CC2)c1 ZINC001203764151 939703025 /nfs/dbraw/zinc/70/30/25/939703025.db2.gz ZABIGAPZGPRCIZ-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001204371115 939761116 /nfs/dbraw/zinc/76/11/16/939761116.db2.gz DBTGUAXAPVVXBO-UHFFFAOYSA-N 1 2 282.303 1.318 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001204371115 939761118 /nfs/dbraw/zinc/76/11/18/939761118.db2.gz DBTGUAXAPVVXBO-UHFFFAOYSA-N 1 2 282.303 1.318 20 30 CDEDLO N#Cc1cc(CN2CCc3[nH+]ccn3CC2)ccc1F ZINC001205496692 939893644 /nfs/dbraw/zinc/89/36/44/939893644.db2.gz LMITWSLVXNVXAT-UHFFFAOYSA-N 1 2 270.311 1.952 20 30 CDEDLO Cn1cc(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)cc1C#N ZINC001207102617 940150037 /nfs/dbraw/zinc/15/00/37/940150037.db2.gz CPQJERUCXFKLCL-NWDGAFQWSA-N 1 2 251.305 1.049 20 30 CDEDLO Cn1cc(C[N@H+]2C[C@H](F)C[C@H](CO)C2)cc1C#N ZINC001207102617 940150039 /nfs/dbraw/zinc/15/00/39/940150039.db2.gz CPQJERUCXFKLCL-NWDGAFQWSA-N 1 2 251.305 1.049 20 30 CDEDLO Cn1cc(C[N@H+]2C[C@H](CO)C[C@H](F)C2)cc1C#N ZINC001207102614 940150353 /nfs/dbraw/zinc/15/03/53/940150353.db2.gz CPQJERUCXFKLCL-NEPJUHHUSA-N 1 2 251.305 1.049 20 30 CDEDLO Cn1cc(C[N@@H+]2C[C@H](CO)C[C@H](F)C2)cc1C#N ZINC001207102614 940150356 /nfs/dbraw/zinc/15/03/56/940150356.db2.gz CPQJERUCXFKLCL-NEPJUHHUSA-N 1 2 251.305 1.049 20 30 CDEDLO Cc1cc(N2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)ncn1 ZINC001207109033 940150641 /nfs/dbraw/zinc/15/06/41/940150641.db2.gz SMWADVKGWNEQEF-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO C=CCCC(=O)N1CCC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001207636982 940225439 /nfs/dbraw/zinc/22/54/39/940225439.db2.gz ZXJWFYZEJQPDOZ-LLVKDONJSA-N 1 2 280.397 1.585 20 30 CDEDLO C=CCC[C@H](C)[NH2+]Cc1noc(C(=O)N(C)C)n1 ZINC001258717883 945390536 /nfs/dbraw/zinc/39/05/36/945390536.db2.gz XPJPPOWAYZQOMX-VIFPVBQESA-N 1 2 252.318 1.216 20 30 CDEDLO C=CCN1CC[NH+](Cc2c3ccccc3nn2C)CC1 ZINC001209536207 940602243 /nfs/dbraw/zinc/60/22/43/940602243.db2.gz IRLYFPJLDYMTNJ-UHFFFAOYSA-N 1 2 270.380 1.877 20 30 CDEDLO C#Cc1cc(Nc2cc(C)c3c(c2)NC(=O)CO3)cc[nH+]1 ZINC001213276631 940766160 /nfs/dbraw/zinc/76/61/60/940766160.db2.gz DLFLGHLSRYKIAZ-UHFFFAOYSA-N 1 2 279.299 1.868 20 30 CDEDLO C#CC[NH+]1CCN(Cc2nc3ccccc3n2C)CC1 ZINC000179271933 940823637 /nfs/dbraw/zinc/82/36/37/940823637.db2.gz UDBAWZQHMBERJZ-UHFFFAOYSA-N 1 2 268.364 1.324 20 30 CDEDLO CCc1cc(NC(=O)C2(F)C[NH2+]C2)cc(CC)c1C#N ZINC001219112628 941309840 /nfs/dbraw/zinc/30/98/40/941309840.db2.gz OIZXCRSPJMISRQ-UHFFFAOYSA-N 1 2 275.327 1.933 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)COC)[C@@H]2C1 ZINC001221440184 941535885 /nfs/dbraw/zinc/53/58/85/941535885.db2.gz STNFXMXMKXUUPT-RAIGVLPGSA-N 1 2 286.803 1.554 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)COC)[C@@H]2C1 ZINC001221440184 941535890 /nfs/dbraw/zinc/53/58/90/941535890.db2.gz STNFXMXMKXUUPT-RAIGVLPGSA-N 1 2 286.803 1.554 20 30 CDEDLO C=CCCC(=O)NC1CC[NH+]([C@H](C)c2nc(C)no2)CC1 ZINC001226518405 942018939 /nfs/dbraw/zinc/01/89/39/942018939.db2.gz HOIDLCWGYWBDFT-LLVKDONJSA-N 1 2 292.383 1.986 20 30 CDEDLO C=CCCC(=O)NC1CC[NH+]([C@@H](C)c2nnc(C)[nH]2)CC1 ZINC001226534937 942022712 /nfs/dbraw/zinc/02/27/12/942022712.db2.gz OPXSFOGRUNXVBZ-NSHDSACASA-N 1 2 291.399 1.721 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Oc2cc(C)c(C#N)c(C)c2)C[N@@H+]1C ZINC001226833240 942080673 /nfs/dbraw/zinc/08/06/73/942080673.db2.gz FNUOVGBLWLSKLO-HIFRSBDPSA-N 1 2 288.347 1.800 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Oc2cc(C)c(C#N)c(C)c2)C[N@H+]1C ZINC001226833240 942080677 /nfs/dbraw/zinc/08/06/77/942080677.db2.gz FNUOVGBLWLSKLO-HIFRSBDPSA-N 1 2 288.347 1.800 20 30 CDEDLO Cc1cccc([N+](=O)[O-])c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001226972498 942104084 /nfs/dbraw/zinc/10/40/84/942104084.db2.gz XZKLEMXRQGNIED-HJTUNCCVSA-N 1 2 290.319 1.894 20 30 CDEDLO Cc1cccc([N+](=O)[O-])c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001226972498 942104087 /nfs/dbraw/zinc/10/40/87/942104087.db2.gz XZKLEMXRQGNIED-HJTUNCCVSA-N 1 2 290.319 1.894 20 30 CDEDLO C=CCNC(=O)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001277173462 942112651 /nfs/dbraw/zinc/11/26/51/942112651.db2.gz CODJFCKNTXPKOC-UHFFFAOYSA-N 1 2 291.317 1.985 20 30 CDEDLO C=CCNC(=O)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001277173462 942112652 /nfs/dbraw/zinc/11/26/52/942112652.db2.gz CODJFCKNTXPKOC-UHFFFAOYSA-N 1 2 291.317 1.985 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(Cl)sn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227374789 942170403 /nfs/dbraw/zinc/17/04/03/942170403.db2.gz XNEHZEYXXVQNRW-QBEQFSANSA-N 1 2 272.757 1.788 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(Cl)sn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227374789 942170406 /nfs/dbraw/zinc/17/04/06/942170406.db2.gz XNEHZEYXXVQNRW-QBEQFSANSA-N 1 2 272.757 1.788 20 30 CDEDLO N#Cc1c(O)ccc(O[C@H]2CCc3[nH+]ccn3C2)c1C#N ZINC001227621722 942197862 /nfs/dbraw/zinc/19/78/62/942197862.db2.gz FYXQEWSMPFFOHX-JTQLQIEISA-N 1 2 280.287 1.726 20 30 CDEDLO N#CCN1CC[C@@H](Oc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001229954272 942556460 /nfs/dbraw/zinc/55/64/60/942556460.db2.gz LUPXNPGEHHCILR-OAHLLOKOSA-N 1 2 268.320 1.849 20 30 CDEDLO CN(C[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1)C(=O)C(F)F ZINC001230573814 942646921 /nfs/dbraw/zinc/64/69/21/942646921.db2.gz AMFFCLNUBQHZEV-CYBMUJFWSA-N 1 2 293.317 1.856 20 30 CDEDLO CN(C[C@H]1CC[N@H+]1Cc1cccc(C#N)c1)C(=O)C(F)F ZINC001230573814 942646923 /nfs/dbraw/zinc/64/69/23/942646923.db2.gz AMFFCLNUBQHZEV-CYBMUJFWSA-N 1 2 293.317 1.856 20 30 CDEDLO C#Cc1cccc(C[NH+]2CCN([C@@H]3CCOC3)CC2)c1 ZINC001231656636 942963397 /nfs/dbraw/zinc/96/33/97/942963397.db2.gz PSZKKGBYPNEHQJ-QGZVFWFLSA-N 1 2 270.376 1.574 20 30 CDEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(C#N)ccn1 ZINC001362151950 970950669 /nfs/dbraw/zinc/95/06/69/970950669.db2.gz PFFXWEZKEOYDMC-AWEZNQCLSA-N 1 2 297.362 1.994 20 30 CDEDLO N#Cc1ccnc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC001232477904 943290691 /nfs/dbraw/zinc/29/06/91/943290691.db2.gz PKYHSVRFNXOSLS-LLVKDONJSA-N 1 2 271.242 1.452 20 30 CDEDLO N#Cc1ccnc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC001232477904 943290692 /nfs/dbraw/zinc/29/06/92/943290692.db2.gz PKYHSVRFNXOSLS-LLVKDONJSA-N 1 2 271.242 1.452 20 30 CDEDLO Cn1cc(C[N@@H+]2CCC23CN(c2ccccn2)C3)cc1C#N ZINC001277752159 943471072 /nfs/dbraw/zinc/47/10/72/943471072.db2.gz CWHICERDBSWQLZ-UHFFFAOYSA-N 1 2 293.374 1.756 20 30 CDEDLO Cn1cc(C[N@H+]2CCC23CN(c2ccccn2)C3)cc1C#N ZINC001277752159 943471073 /nfs/dbraw/zinc/47/10/73/943471073.db2.gz CWHICERDBSWQLZ-UHFFFAOYSA-N 1 2 293.374 1.756 20 30 CDEDLO CCn1ccnc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2CCC#N ZINC001277939552 944133884 /nfs/dbraw/zinc/13/38/84/944133884.db2.gz WZPSSIYACGLOSD-KBPBESRZSA-N 1 2 273.384 1.465 20 30 CDEDLO CCn1ccnc1C[N@H+]1CC[C@H]2[C@@H]1CCN2CCC#N ZINC001277939552 944133887 /nfs/dbraw/zinc/13/38/87/944133887.db2.gz WZPSSIYACGLOSD-KBPBESRZSA-N 1 2 273.384 1.465 20 30 CDEDLO C=CCCC(=O)N[C@H]1CCC[N@@H+](Cc2snnc2C)C1 ZINC001265206781 944276710 /nfs/dbraw/zinc/27/67/10/944276710.db2.gz ZONDBXIJWZPXNB-LBPRGKRZSA-N 1 2 294.424 1.893 20 30 CDEDLO C=CCCC(=O)N[C@H]1CCC[N@H+](Cc2snnc2C)C1 ZINC001265206781 944276717 /nfs/dbraw/zinc/27/67/17/944276717.db2.gz ZONDBXIJWZPXNB-LBPRGKRZSA-N 1 2 294.424 1.893 20 30 CDEDLO C[C@@H]1C[N@H+](C2CN(Cc3ccnc(C#N)c3)C2)C[C@H](C)O1 ZINC001237461782 944796447 /nfs/dbraw/zinc/79/64/47/944796447.db2.gz FCLDVUIXTRCITO-BETUJISGSA-N 1 2 286.379 1.247 20 30 CDEDLO C[C@@H]1C[N@@H+](C2CN(Cc3ccnc(C#N)c3)C2)C[C@H](C)O1 ZINC001237461782 944796453 /nfs/dbraw/zinc/79/64/53/944796453.db2.gz FCLDVUIXTRCITO-BETUJISGSA-N 1 2 286.379 1.247 20 30 CDEDLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237473852 944804896 /nfs/dbraw/zinc/80/48/96/944804896.db2.gz WXYJEXRNSQFOBX-LBPRGKRZSA-N 1 2 296.374 1.712 20 30 CDEDLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237473852 944804907 /nfs/dbraw/zinc/80/49/07/944804907.db2.gz WXYJEXRNSQFOBX-LBPRGKRZSA-N 1 2 296.374 1.712 20 30 CDEDLO CCOC(=O)C1(C#N)CCN(Cc2c[nH+]cn2CC)CC1 ZINC001237592113 944861321 /nfs/dbraw/zinc/86/13/21/944861321.db2.gz BSOUUCAUTSJIIU-UHFFFAOYSA-N 1 2 290.367 1.572 20 30 CDEDLO Cc1nc(C#N)c(C#N)nc1-c1ccc2[nH+]ccn2c1 ZINC001240217243 945730664 /nfs/dbraw/zinc/73/06/64/945730664.db2.gz IUUCLOAEOODRGN-UHFFFAOYSA-N 1 2 260.260 1.843 20 30 CDEDLO C#C[C@@H](CC)NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001261660910 946220434 /nfs/dbraw/zinc/22/04/34/946220434.db2.gz ZLDPYEGAHGBPTH-KBPBESRZSA-N 1 2 288.395 1.796 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001255168876 947761043 /nfs/dbraw/zinc/76/10/43/947761043.db2.gz XQDZKPBTZSQLQA-BZUAXINKSA-N 1 2 298.390 1.949 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001255168876 947761049 /nfs/dbraw/zinc/76/10/49/947761049.db2.gz XQDZKPBTZSQLQA-BZUAXINKSA-N 1 2 298.390 1.949 20 30 CDEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1[C@H](C)COC ZINC001255568330 947992601 /nfs/dbraw/zinc/99/26/01/947992601.db2.gz BAWFQBLIOBKPTC-TZMCWYRMSA-N 1 2 294.399 1.435 20 30 CDEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1[C@H](C)COC ZINC001255568330 947992606 /nfs/dbraw/zinc/99/26/06/947992606.db2.gz BAWFQBLIOBKPTC-TZMCWYRMSA-N 1 2 294.399 1.435 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1F ZINC001249687701 949753548 /nfs/dbraw/zinc/75/35/48/949753548.db2.gz NJPNNDFLHJYLBX-OAHLLOKOSA-N 1 2 289.310 1.772 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1F ZINC001249687701 949753566 /nfs/dbraw/zinc/75/35/66/949753566.db2.gz NJPNNDFLHJYLBX-OAHLLOKOSA-N 1 2 289.310 1.772 20 30 CDEDLO C=CC[NH+]1CCN(C[C@H](O)COc2ccccc2C)CC1 ZINC001251691978 950757008 /nfs/dbraw/zinc/75/70/08/950757008.db2.gz CWCBSAPBEZJRID-INIZCTEOSA-N 1 2 290.407 1.538 20 30 CDEDLO C=CCOC[C@@H](O)C[NH2+]C1(C(=O)OCC)CCCC1 ZINC001252451289 951286854 /nfs/dbraw/zinc/28/68/54/951286854.db2.gz PDNJGMLZIBBHLF-LBPRGKRZSA-N 1 2 271.357 1.015 20 30 CDEDLO C=C[C@@](C)(O)C[N@@H+]1Cc2cccc(C(=O)OC)c2C1 ZINC001252554495 951447701 /nfs/dbraw/zinc/44/77/01/951447701.db2.gz HSFNYMMIEDPBTF-OAHLLOKOSA-N 1 2 261.321 1.726 20 30 CDEDLO C=C[C@@](C)(O)C[N@H+]1Cc2cccc(C(=O)OC)c2C1 ZINC001252554495 951447713 /nfs/dbraw/zinc/44/77/13/951447713.db2.gz HSFNYMMIEDPBTF-OAHLLOKOSA-N 1 2 261.321 1.726 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+](CC)Cc1ccccc1F ZINC001324751145 953558342 /nfs/dbraw/zinc/55/83/42/953558342.db2.gz UUAJCIPAUGUADL-UHFFFAOYSA-N 1 2 293.342 1.659 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+](CC)Cc1ccccc1F ZINC001324751145 953558347 /nfs/dbraw/zinc/55/83/47/953558347.db2.gz UUAJCIPAUGUADL-UHFFFAOYSA-N 1 2 293.342 1.659 20 30 CDEDLO Cc1cc(NC(=O)NCCn2cc[nH+]c2)ncc1C#N ZINC001364410555 954579370 /nfs/dbraw/zinc/57/93/70/954579370.db2.gz ZERJTPMJOANKAU-UHFFFAOYSA-N 1 2 270.296 1.280 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1csnc1C ZINC001492230799 955732835 /nfs/dbraw/zinc/73/28/35/955732835.db2.gz JOXZHHXUVABJSR-UHFFFAOYSA-N 1 2 273.789 1.866 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1csnc1C ZINC001492230799 955732844 /nfs/dbraw/zinc/73/28/44/955732844.db2.gz JOXZHHXUVABJSR-UHFFFAOYSA-N 1 2 273.789 1.866 20 30 CDEDLO Cc1cc(C[NH+]2CCN(C(=O)[C@H](C)C#N)CC2)cs1 ZINC001365687355 956295376 /nfs/dbraw/zinc/29/53/76/956295376.db2.gz KITSADIAKQQYHR-LLVKDONJSA-N 1 2 277.393 1.860 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CCc2cn[nH]c2)C1 ZINC001422750126 956309695 /nfs/dbraw/zinc/30/96/95/956309695.db2.gz UWXGVIYXMFIYRZ-NSHDSACASA-N 1 2 296.802 1.531 20 30 CDEDLO C=C[C@@](C)(O)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001306755746 956330861 /nfs/dbraw/zinc/33/08/61/956330861.db2.gz YJVOTTIKXWFZEO-BLLLJJGKSA-N 1 2 285.347 1.987 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC001330671512 956554843 /nfs/dbraw/zinc/55/48/43/956554843.db2.gz NJGQJEQQEFRUBB-WPRPVWTQSA-N 1 2 263.345 1.256 20 30 CDEDLO C=CCC[C@@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C(=O)OCC ZINC001330804082 956638569 /nfs/dbraw/zinc/63/85/69/956638569.db2.gz IAFILVYEWASEPL-VXGBXAGGSA-N 1 2 279.340 1.458 20 30 CDEDLO COc1ccc(C(N)=[NH+]O[C@@H]2CCN(C3CC3)C2=O)cc1 ZINC001330905585 956696681 /nfs/dbraw/zinc/69/66/81/956696681.db2.gz YMJNQTHCQAEXPW-CYBMUJFWSA-N 1 2 289.335 1.095 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC001331612398 957167490 /nfs/dbraw/zinc/16/74/90/957167490.db2.gz ZGFFUGKZSLZUPG-UHFFFAOYSA-N 1 2 257.337 1.902 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)Cc1cc2ccccc2[nH]1 ZINC001331612398 957167494 /nfs/dbraw/zinc/16/74/94/957167494.db2.gz ZGFFUGKZSLZUPG-UHFFFAOYSA-N 1 2 257.337 1.902 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)COC(C)C)C1 ZINC001366890431 957250834 /nfs/dbraw/zinc/25/08/34/957250834.db2.gz VNMSFHYVFYDKSU-GFCCVEGCSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)COC(C)C)C1 ZINC001366890431 957250851 /nfs/dbraw/zinc/25/08/51/957250851.db2.gz VNMSFHYVFYDKSU-GFCCVEGCSA-N 1 2 274.792 1.745 20 30 CDEDLO C(=NNCC1CCOCC1)c1cccc2[nH+]ccn21 ZINC001319497158 958595005 /nfs/dbraw/zinc/59/50/05/958595005.db2.gz SIKIFLYOBWUCQW-UHFFFAOYSA-N 1 2 258.325 1.684 20 30 CDEDLO N#CC[C@@H](O)C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC001335626645 959940351 /nfs/dbraw/zinc/94/03/51/959940351.db2.gz GQCNRVXPOKZBRS-HUUCEWRRSA-N 1 2 260.337 1.204 20 30 CDEDLO N#CC[C@@H](O)C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC001335626645 959940355 /nfs/dbraw/zinc/94/03/55/959940355.db2.gz GQCNRVXPOKZBRS-HUUCEWRRSA-N 1 2 260.337 1.204 20 30 CDEDLO C#CC[N@H+](CC1CC1)CN1C(=O)CN(C2CCCC2)C1=O ZINC001322961997 960381294 /nfs/dbraw/zinc/38/12/94/960381294.db2.gz NVXGMJILLBAQJK-UHFFFAOYSA-N 1 2 289.379 1.496 20 30 CDEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)CN(C2CCCC2)C1=O ZINC001322961997 960381300 /nfs/dbraw/zinc/38/13/00/960381300.db2.gz NVXGMJILLBAQJK-UHFFFAOYSA-N 1 2 289.379 1.496 20 30 CDEDLO CC(C)[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ncon1 ZINC001650170860 1169783930 /nfs/dbraw/zinc/78/39/30/1169783930.db2.gz XXNXAPGQIANPFC-ZIAGYGMSSA-N 1 2 286.335 1.962 20 30 CDEDLO C#CCOCCC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001339374283 962333175 /nfs/dbraw/zinc/33/31/75/962333175.db2.gz FKXYHLFARNUKLO-UHFFFAOYSA-N 1 2 275.352 1.166 20 30 CDEDLO C#CC[C@H](CC)c1nnc(N2CC[NH+](CC#C)CC2)n1CC ZINC001339970105 962658536 /nfs/dbraw/zinc/65/85/36/962658536.db2.gz PMFYRKROHKFEJT-HNNXBMFYSA-N 1 2 299.422 1.570 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C1(F)CCOCC1 ZINC001437471800 962940209 /nfs/dbraw/zinc/94/02/09/962940209.db2.gz KPIOIXFMIRJUAZ-UHFFFAOYSA-N 1 2 278.755 1.306 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C1(F)CCOCC1 ZINC001437471800 962940226 /nfs/dbraw/zinc/94/02/26/962940226.db2.gz KPIOIXFMIRJUAZ-UHFFFAOYSA-N 1 2 278.755 1.306 20 30 CDEDLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)[C@@H](C#N)c1ccncn1 ZINC001343241139 963935624 /nfs/dbraw/zinc/93/56/24/963935624.db2.gz MWNPLIYJQFYXIE-WCQYABFASA-N 1 2 258.325 1.526 20 30 CDEDLO CC(C)[N@H+]1CCC[C@@H]1C(=O)[C@@H](C#N)c1ccncn1 ZINC001343241139 963935628 /nfs/dbraw/zinc/93/56/28/963935628.db2.gz MWNPLIYJQFYXIE-WCQYABFASA-N 1 2 258.325 1.526 20 30 CDEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCOCC1 ZINC001343553643 964036499 /nfs/dbraw/zinc/03/64/99/964036499.db2.gz JNJOVZWUZCVQQA-CYBMUJFWSA-N 1 2 291.399 1.458 20 30 CDEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCOCC1 ZINC001343553643 964036507 /nfs/dbraw/zinc/03/65/07/964036507.db2.gz JNJOVZWUZCVQQA-CYBMUJFWSA-N 1 2 291.399 1.458 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cscn1 ZINC001440900924 964236843 /nfs/dbraw/zinc/23/68/43/964236843.db2.gz BRDZALDSQNPBOX-SECBINFHSA-N 1 2 273.789 1.946 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cscn1 ZINC001440900924 964236855 /nfs/dbraw/zinc/23/68/55/964236855.db2.gz BRDZALDSQNPBOX-SECBINFHSA-N 1 2 273.789 1.946 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C1=CCOCC1 ZINC001442646651 965161558 /nfs/dbraw/zinc/16/15/58/965161558.db2.gz DHIQCTXUFPYDKZ-UHFFFAOYSA-N 1 2 272.776 1.524 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C1=CCOCC1 ZINC001442646651 965161552 /nfs/dbraw/zinc/16/15/52/965161552.db2.gz DHIQCTXUFPYDKZ-UHFFFAOYSA-N 1 2 272.776 1.524 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc(OC)ccn1 ZINC001442691603 965179722 /nfs/dbraw/zinc/17/97/22/965179722.db2.gz MXJATFUYPGXLLK-UHFFFAOYSA-N 1 2 297.786 1.894 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc(OC)ccn1 ZINC001442691603 965179725 /nfs/dbraw/zinc/17/97/25/965179725.db2.gz MXJATFUYPGXLLK-UHFFFAOYSA-N 1 2 297.786 1.894 20 30 CDEDLO C=C(C)CCC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001346822959 965270342 /nfs/dbraw/zinc/27/03/42/965270342.db2.gz KQIFAIKZZCGXNS-ZDUSSCGKSA-N 1 2 253.390 1.095 20 30 CDEDLO C[C@H](CC(=O)[C@@H](C#N)c1ccncn1)n1cc[nH+]c1 ZINC001347230158 965430307 /nfs/dbraw/zinc/43/03/07/965430307.db2.gz DUCHGIHJOABVPB-MNOVXSKESA-N 1 2 255.281 1.501 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1ccn(C)n1 ZINC001444974929 966035609 /nfs/dbraw/zinc/03/56/09/966035609.db2.gz PYEGLPDAGODOMB-UHFFFAOYSA-N 1 2 284.791 1.105 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1ccn(C)n1 ZINC001444974929 966035623 /nfs/dbraw/zinc/03/56/23/966035623.db2.gz PYEGLPDAGODOMB-UHFFFAOYSA-N 1 2 284.791 1.105 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)COc1cccnc1 ZINC001445850246 966363894 /nfs/dbraw/zinc/36/38/94/966363894.db2.gz XXQZHCVCLNQFHE-GFCCVEGCSA-N 1 2 297.786 1.649 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)COc1cccnc1 ZINC001445850246 966363902 /nfs/dbraw/zinc/36/39/02/966363902.db2.gz XXQZHCVCLNQFHE-GFCCVEGCSA-N 1 2 297.786 1.649 20 30 CDEDLO C=CCNC(=S)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001200290414 967851522 /nfs/dbraw/zinc/85/15/22/967851522.db2.gz IIEFMSVJCGDSAW-ZDUSSCGKSA-N 1 2 277.393 1.985 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)N[C@@H](C#N)c1ccc(F)cc1 ZINC001527419762 968683044 /nfs/dbraw/zinc/68/30/44/968683044.db2.gz ANNDSJCFSBYVIR-ZDUSSCGKSA-N 1 2 286.310 1.873 20 30 CDEDLO N#Cc1cnnc(NCc2ccn3cc[nH+]c3c2)c1 ZINC001472728171 970689518 /nfs/dbraw/zinc/68/95/18/970689518.db2.gz GZPSNLFJZJSZIF-UHFFFAOYSA-N 1 2 250.265 1.608 20 30 CDEDLO C[C@H](c1nc(-c2nc[nH]n2)no1)[NH+]1CCC(C#N)CC1 ZINC001473131598 970756637 /nfs/dbraw/zinc/75/66/37/970756637.db2.gz HCZBRIWQYQNMTQ-MRVPVSSYSA-N 1 2 273.300 1.151 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)COC(C)C)C1 ZINC001373660198 973551188 /nfs/dbraw/zinc/55/11/88/973551188.db2.gz NMZLOYXHQHREFN-LBPRGKRZSA-N 1 2 274.792 1.697 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)COC(C)C)C1 ZINC001373660198 973551195 /nfs/dbraw/zinc/55/11/95/973551195.db2.gz NMZLOYXHQHREFN-LBPRGKRZSA-N 1 2 274.792 1.697 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cc1cn(C)nc1C ZINC001418469696 973873146 /nfs/dbraw/zinc/87/31/46/973873146.db2.gz OQDFPGHHIXOFQK-UHFFFAOYSA-N 1 2 284.791 1.072 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cc1cn(C)nc1C ZINC001418469696 973873153 /nfs/dbraw/zinc/87/31/53/973873153.db2.gz OQDFPGHHIXOFQK-UHFFFAOYSA-N 1 2 284.791 1.072 20 30 CDEDLO CCc1nnc([C@H](C)[NH2+]CCN(CC)C(=O)[C@H](C)C#N)o1 ZINC001374707848 974071174 /nfs/dbraw/zinc/07/11/74/974071174.db2.gz CVLARBWONMXLOC-MNOVXSKESA-N 1 2 293.371 1.291 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccn(C)c(=O)c1 ZINC001375061869 974248234 /nfs/dbraw/zinc/24/82/34/974248234.db2.gz FQTJGTGIPOIIRF-LLVKDONJSA-N 1 2 297.786 1.188 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccn(C)c(=O)c1 ZINC001375061869 974248237 /nfs/dbraw/zinc/24/82/37/974248237.db2.gz 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/nfs/dbraw/zinc/95/04/30/974950430.db2.gz INDBHAFIWRSPHA-LBPRGKRZSA-N 1 2 274.792 1.604 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@@H]1CCCOC1 ZINC001377265348 974950436 /nfs/dbraw/zinc/95/04/36/974950436.db2.gz INDBHAFIWRSPHA-LBPRGKRZSA-N 1 2 274.792 1.604 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1cncn1C ZINC001506038817 975097859 /nfs/dbraw/zinc/09/78/59/975097859.db2.gz NGXWAFMIJLFHSH-LLVKDONJSA-N 1 2 284.791 1.152 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1cncn1C ZINC001506038817 975097861 /nfs/dbraw/zinc/09/78/61/975097861.db2.gz NGXWAFMIJLFHSH-LLVKDONJSA-N 1 2 284.791 1.152 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](C)OCC(C)C)C1 ZINC001404853941 975511875 /nfs/dbraw/zinc/51/18/75/975511875.db2.gz HLNZIRBNLQBATG-GFCCVEGCSA-N 1 2 288.819 1.848 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cn(C)cn1 ZINC001401363429 975619732 /nfs/dbraw/zinc/61/97/32/975619732.db2.gz BAJMXOKYJSJHQJ-UHFFFAOYSA-N 1 2 270.764 1.176 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cn(C)cn1 ZINC001401363429 975619737 /nfs/dbraw/zinc/61/97/37/975619737.db2.gz BAJMXOKYJSJHQJ-UHFFFAOYSA-N 1 2 270.764 1.176 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1ccn(CC)n1 ZINC001406099593 976027011 /nfs/dbraw/zinc/02/70/11/976027011.db2.gz KLFFPOUXZQYMDW-UHFFFAOYSA-N 1 2 298.818 1.588 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1ccn(CC)n1 ZINC001406099593 976027026 /nfs/dbraw/zinc/02/70/26/976027026.db2.gz KLFFPOUXZQYMDW-UHFFFAOYSA-N 1 2 298.818 1.588 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc(OC)ncn1 ZINC001390894026 976590611 /nfs/dbraw/zinc/59/06/11/976590611.db2.gz DNAAXCGUJNWMGD-UHFFFAOYSA-N 1 2 298.774 1.289 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc(OC)ncn1 ZINC001390894026 976590619 /nfs/dbraw/zinc/59/06/19/976590619.db2.gz DNAAXCGUJNWMGD-UHFFFAOYSA-N 1 2 298.774 1.289 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cnsn1)C1CC1 ZINC001391147924 976723377 /nfs/dbraw/zinc/72/33/77/976723377.db2.gz PBYUPXCRQNFOBQ-UHFFFAOYSA-N 1 2 286.788 1.485 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cnsn1)C1CC1 ZINC001391147924 976723381 /nfs/dbraw/zinc/72/33/81/976723381.db2.gz PBYUPXCRQNFOBQ-UHFFFAOYSA-N 1 2 286.788 1.485 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ocnc1C)C1CC1 ZINC001399988182 976794121 /nfs/dbraw/zinc/79/41/21/976794121.db2.gz HAMRKFRTKRBERT-UHFFFAOYSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ocnc1C)C1CC1 ZINC001399988182 976794133 /nfs/dbraw/zinc/79/41/33/976794133.db2.gz HAMRKFRTKRBERT-UHFFFAOYSA-N 1 2 283.759 1.930 20 30 CDEDLO COc1nc(C[NH+]2CCN(CCC#N)CC2)ccc1C ZINC001414172373 977116756 /nfs/dbraw/zinc/11/67/56/977116756.db2.gz UYGQLOBMGQAWLP-UHFFFAOYSA-N 1 2 274.368 1.430 20 30 CDEDLO CC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1nc(C)c(C)s1 ZINC001403819435 977214779 /nfs/dbraw/zinc/21/47/79/977214779.db2.gz CTWUDLUFWYHLGU-JTQLQIEISA-N 1 2 294.424 1.858 20 30 CDEDLO CC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1nc(C)c(C)s1 ZINC001403819435 977214788 /nfs/dbraw/zinc/21/47/88/977214788.db2.gz CTWUDLUFWYHLGU-JTQLQIEISA-N 1 2 294.424 1.858 20 30 CDEDLO COCC[N@H+](CCNC(C)=O)Cc1ccccc1C#N ZINC001403953478 977280721 /nfs/dbraw/zinc/28/07/21/977280721.db2.gz IVSSEKYIQRCUIL-UHFFFAOYSA-N 1 2 275.352 1.143 20 30 CDEDLO COCC[N@@H+](CCNC(C)=O)Cc1ccccc1C#N ZINC001403953478 977280732 /nfs/dbraw/zinc/28/07/32/977280732.db2.gz IVSSEKYIQRCUIL-UHFFFAOYSA-N 1 2 275.352 1.143 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(C)ncn1 ZINC001392648397 977527546 /nfs/dbraw/zinc/52/75/46/977527546.db2.gz PSZWWIPVLKXQTC-LLVKDONJSA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(C)ncn1 ZINC001392648397 977527553 /nfs/dbraw/zinc/52/75/53/977527553.db2.gz PSZWWIPVLKXQTC-LLVKDONJSA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1c[nH]nc1C ZINC001392677692 977543041 /nfs/dbraw/zinc/54/30/41/977543041.db2.gz SLBOHIHRHYCBTI-SECBINFHSA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1c[nH]nc1C ZINC001392677692 977543048 /nfs/dbraw/zinc/54/30/48/977543048.db2.gz SLBOHIHRHYCBTI-SECBINFHSA-N 1 2 270.764 1.521 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+][C@H](C)c1nc(CC)no1 ZINC001132398820 1163267080 /nfs/dbraw/zinc/26/70/80/1163267080.db2.gz QBUYFWSOEWPIPU-SNVBAGLBSA-N 1 2 280.372 1.611 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1csnn1 ZINC001132569028 1163377348 /nfs/dbraw/zinc/37/73/48/1163377348.db2.gz JTMLLLJBGLTTNR-UWVGGRQHSA-N 1 2 268.386 1.202 20 30 CDEDLO C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001598625181 994079067 /nfs/dbraw/zinc/07/90/67/994079067.db2.gz FQBFWOLTBXHAQP-PMPSAXMXSA-N 1 2 299.374 1.852 20 30 CDEDLO C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001598625181 994079083 /nfs/dbraw/zinc/07/90/83/994079083.db2.gz FQBFWOLTBXHAQP-PMPSAXMXSA-N 1 2 299.374 1.852 20 30 CDEDLO C[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001598625181 994079098 /nfs/dbraw/zinc/07/90/98/994079098.db2.gz FQBFWOLTBXHAQP-PMPSAXMXSA-N 1 2 299.374 1.852 20 30 CDEDLO C[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001598625181 994079112 /nfs/dbraw/zinc/07/91/12/994079112.db2.gz FQBFWOLTBXHAQP-PMPSAXMXSA-N 1 2 299.374 1.852 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001132653426 1163416654 /nfs/dbraw/zinc/41/66/54/1163416654.db2.gz LMVRBENHTUITPR-GHMZBOCLSA-N 1 2 282.413 1.907 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001132663034 1163429193 /nfs/dbraw/zinc/42/91/93/1163429193.db2.gz OGISLWWGVSLVJA-LLVKDONJSA-N 1 2 280.372 1.440 20 30 CDEDLO C[C@H](CC#N)N(C)c1nnc(C[NH+]2CCCCC2)n1C ZINC001650283073 1170918210 /nfs/dbraw/zinc/91/82/10/1170918210.db2.gz JPADLZYFAMLATG-GFCCVEGCSA-N 1 2 276.388 1.539 20 30 CDEDLO C[C@H](C[C@@H](C)[NH2+]Cc1c[nH]nn1)NC(=O)C#CC(C)(C)C ZINC001575508813 1171187441 /nfs/dbraw/zinc/18/74/41/1171187441.db2.gz GIEZSENZRLQRMW-VXGBXAGGSA-N 1 2 291.399 1.227 20 30 CDEDLO C[C@H](C[C@@H](C)[NH2+]Cc1cn[nH]n1)NC(=O)C#CC(C)(C)C ZINC001575508813 1171187452 /nfs/dbraw/zinc/18/74/52/1171187452.db2.gz GIEZSENZRLQRMW-VXGBXAGGSA-N 1 2 291.399 1.227 20 30 CDEDLO CC[C@](C)([NH2+]C[C@H](O)CC1(C#N)CC1)c1c[nH]nn1 ZINC001576189679 1171355788 /nfs/dbraw/zinc/35/57/88/1171355788.db2.gz DYVXQHUNMVIOOC-PWSUYJOCSA-N 1 2 263.345 1.074 20 30 CDEDLO N#Cc1cccc(F)c1CC(=O)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000586756941 342466299 /nfs/dbraw/zinc/46/62/99/342466299.db2.gz IOEXLPFMBSLZRT-GFCCVEGCSA-N 1 2 298.321 1.568 20 30 CDEDLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000515018873 398138187 /nfs/dbraw/zinc/13/81/87/398138187.db2.gz LKNKMVLGMZRREY-CQSZACIVSA-N 1 2 272.352 1.300 20 30 CDEDLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000515018873 398138190 /nfs/dbraw/zinc/13/81/90/398138190.db2.gz LKNKMVLGMZRREY-CQSZACIVSA-N 1 2 272.352 1.300 20 30 CDEDLO CC[C@@H](NC(=O)c1cccc(C#N)n1)c1[nH]cc[nH+]1 ZINC000589488893 342507352 /nfs/dbraw/zinc/50/73/52/342507352.db2.gz XPCQJMHAPIYLSQ-SNVBAGLBSA-N 1 2 255.281 1.557 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2ccc(C#N)cn2)C[C@@H](C)O1 ZINC000565155150 365598097 /nfs/dbraw/zinc/59/80/97/365598097.db2.gz CWRMMCXBCKARII-BXUZGUMPSA-N 1 2 261.325 1.189 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)C[C@@H](C)O1 ZINC000565155150 365598103 /nfs/dbraw/zinc/59/81/03/365598103.db2.gz CWRMMCXBCKARII-BXUZGUMPSA-N 1 2 261.325 1.189 20 30 CDEDLO C=CCOc1ccccc1C[N@H+]1CCN(CC)C(=O)C1 ZINC000351585462 361778531 /nfs/dbraw/zinc/77/85/31/361778531.db2.gz YNZAURFIJUMSFT-UHFFFAOYSA-N 1 2 274.364 1.916 20 30 CDEDLO C=CCOc1ccccc1C[N@@H+]1CCN(CC)C(=O)C1 ZINC000351585462 361778532 /nfs/dbraw/zinc/77/85/32/361778532.db2.gz YNZAURFIJUMSFT-UHFFFAOYSA-N 1 2 274.364 1.916 20 30 CDEDLO Cc1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cnn1 ZINC000329687203 361763559 /nfs/dbraw/zinc/76/35/59/361763559.db2.gz YVWKDHSBDGPYCH-JTQLQIEISA-N 1 2 257.297 1.370 20 30 CDEDLO Cc1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cnn1 ZINC000329687203 361763562 /nfs/dbraw/zinc/76/35/62/361763562.db2.gz YVWKDHSBDGPYCH-JTQLQIEISA-N 1 2 257.297 1.370 20 30 CDEDLO COc1cc(C#N)ccc1OCCN1CCn2c[nH+]cc2C1 ZINC000590598973 342579745 /nfs/dbraw/zinc/57/97/45/342579745.db2.gz ARCULOLSFMDOIW-UHFFFAOYSA-N 1 2 298.346 1.658 20 30 CDEDLO CCOC(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000046087038 342127947 /nfs/dbraw/zinc/12/79/47/342127947.db2.gz XKKVYOLZJAUYOC-UHFFFAOYSA-N 1 2 287.363 1.633 20 30 CDEDLO CCOC(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000046087038 342127948 /nfs/dbraw/zinc/12/79/48/342127948.db2.gz XKKVYOLZJAUYOC-UHFFFAOYSA-N 1 2 287.363 1.633 20 30 CDEDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccncc2C#N)C1 ZINC000592066389 342663240 /nfs/dbraw/zinc/66/32/40/342663240.db2.gz ZHSHZQMMOGCDFE-CQSZACIVSA-N 1 2 272.352 1.444 20 30 CDEDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592066389 342663241 /nfs/dbraw/zinc/66/32/41/342663241.db2.gz ZHSHZQMMOGCDFE-CQSZACIVSA-N 1 2 272.352 1.444 20 30 CDEDLO C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147734 342668004 /nfs/dbraw/zinc/66/80/04/342668004.db2.gz RNTLFOJDHLMGKG-IUODEOHRSA-N 1 2 298.350 1.074 20 30 CDEDLO C[C@H](c1nnnn1-c1ccccc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147734 342668005 /nfs/dbraw/zinc/66/80/05/342668005.db2.gz RNTLFOJDHLMGKG-IUODEOHRSA-N 1 2 298.350 1.074 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2n[nH]c3ccccc32)C1 ZINC000592522339 342702326 /nfs/dbraw/zinc/70/23/26/342702326.db2.gz MAXKHUVOFPKDTF-CQSZACIVSA-N 1 2 256.309 1.413 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2n[nH]c3ccccc32)C1 ZINC000592522339 342702327 /nfs/dbraw/zinc/70/23/27/342702327.db2.gz MAXKHUVOFPKDTF-CQSZACIVSA-N 1 2 256.309 1.413 20 30 CDEDLO CCc1cnc(C[N@@H+]2CC[C@@](O)(CC#N)C2)s1 ZINC000592522971 342702385 /nfs/dbraw/zinc/70/23/85/342702385.db2.gz UUKWNZIJLNFJOA-LBPRGKRZSA-N 1 2 251.355 1.556 20 30 CDEDLO CCc1cnc(C[N@H+]2CC[C@@](O)(CC#N)C2)s1 ZINC000592522971 342702386 /nfs/dbraw/zinc/70/23/86/342702386.db2.gz UUKWNZIJLNFJOA-LBPRGKRZSA-N 1 2 251.355 1.556 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@](O)(CC#N)C1 ZINC000592842693 342734317 /nfs/dbraw/zinc/73/43/17/342734317.db2.gz JRKHUPGXDUHTRU-MRXNPFEDSA-N 1 2 298.346 1.222 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1Cc2ccc(F)cc21 ZINC000593153382 342774044 /nfs/dbraw/zinc/77/40/44/342774044.db2.gz ZEDHLGHXQFEUQH-DZGCQCFKSA-N 1 2 275.327 1.425 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CC1CC(F)(F)C1 ZINC000593153437 342774249 /nfs/dbraw/zinc/77/42/49/342774249.db2.gz PABMSOUGOYCYCB-LLVKDONJSA-N 1 2 259.300 1.382 20 30 CDEDLO COC1CCC(C(=O)N[C@](C)(C#N)C[NH+](C)C)CC1 ZINC000593154952 342774512 /nfs/dbraw/zinc/77/45/12/342774512.db2.gz QBFYWJISIPOSKM-ORHYLEIMSA-N 1 2 267.373 1.152 20 30 CDEDLO CC[C@H](C#N)C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000593444966 342798327 /nfs/dbraw/zinc/79/83/27/342798327.db2.gz DBPVLAHFPUFUSO-SECBINFHSA-N 1 2 279.344 1.032 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cnns3)CC2)cc1 ZINC000289980601 361951270 /nfs/dbraw/zinc/95/12/70/361951270.db2.gz JRNAUBMCTBRNTC-UHFFFAOYSA-N 1 2 299.403 1.728 20 30 CDEDLO CC1(C#N)C[NH+](C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000593980435 342863888 /nfs/dbraw/zinc/86/38/88/342863888.db2.gz FHNNJEABWKQVBR-CQSZACIVSA-N 1 2 283.375 1.994 20 30 CDEDLO N#C[C@@H]1CCC[C@H]1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000332838426 539048943 /nfs/dbraw/zinc/04/89/43/539048943.db2.gz KSCBHLXSPABMGA-NWANDNLSSA-N 1 2 291.395 1.438 20 30 CDEDLO N#C[C@@H]1CCC[C@H]1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000332838426 539048944 /nfs/dbraw/zinc/04/89/44/539048944.db2.gz KSCBHLXSPABMGA-NWANDNLSSA-N 1 2 291.395 1.438 20 30 CDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1[nH+]ccn1C ZINC000594274304 342884146 /nfs/dbraw/zinc/88/41/46/342884146.db2.gz XETMALBOWJBNQC-GFCCVEGCSA-N 1 2 282.347 1.787 20 30 CDEDLO Cc1c[nH+]c(CCNc2cc(C#N)ncn2)c(C)c1 ZINC000594597554 342920048 /nfs/dbraw/zinc/92/00/48/342920048.db2.gz XECFPTCZKMYRRE-UHFFFAOYSA-N 1 2 253.309 1.437 20 30 CDEDLO COCC[N@H+](C)Cc1cn(-c2cccc(C#N)c2)nn1 ZINC000594652614 342933826 /nfs/dbraw/zinc/93/38/26/342933826.db2.gz UUFVFMKTTHREFX-UHFFFAOYSA-N 1 2 271.324 1.217 20 30 CDEDLO COCC[N@@H+](C)Cc1cn(-c2cccc(C#N)c2)nn1 ZINC000594652614 342933827 /nfs/dbraw/zinc/93/38/27/342933827.db2.gz UUFVFMKTTHREFX-UHFFFAOYSA-N 1 2 271.324 1.217 20 30 CDEDLO CCN1CC[C@H]([NH+]2CCC(C#N)(c3ccccn3)CC2)C1=O ZINC000595473582 343073374 /nfs/dbraw/zinc/07/33/74/343073374.db2.gz XWAHDRUXZGGVFW-AWEZNQCLSA-N 1 2 298.390 1.560 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)N(C)Cc1c[nH+]c[nH]1 ZINC000595593568 343095879 /nfs/dbraw/zinc/09/58/79/343095879.db2.gz WPBTYNSPCOFULE-AWEZNQCLSA-N 1 2 284.319 1.627 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)N(C)Cc1c[nH]c[nH+]1 ZINC000595593568 343095880 /nfs/dbraw/zinc/09/58/80/343095880.db2.gz WPBTYNSPCOFULE-AWEZNQCLSA-N 1 2 284.319 1.627 20 30 CDEDLO Cc1ccc([C@H](CNC(=O)CC#N)[NH+]2CCOCC2)cc1 ZINC000132340358 342357258 /nfs/dbraw/zinc/35/72/58/342357258.db2.gz HMUHGNMIXXPLNV-HNNXBMFYSA-N 1 2 287.363 1.398 20 30 CDEDLO Cc1ccc(C#N)nc1N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000596114868 343231315 /nfs/dbraw/zinc/23/13/15/343231315.db2.gz IIIAPMLJKLSPNB-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO O=C(C#Cc1ccccc1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000081953429 342374815 /nfs/dbraw/zinc/37/48/15/342374815.db2.gz IYFOZFVSACYFBT-KRWDZBQOSA-N 1 2 298.386 1.361 20 30 CDEDLO Cc1ccc[nH+]c1CCCNc1cc(C#N)cnn1 ZINC000596253859 343275665 /nfs/dbraw/zinc/27/56/65/343275665.db2.gz FUJNXFJKGMDUSX-UHFFFAOYSA-N 1 2 253.309 1.518 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1ncccc1C#N ZINC000596430217 343318998 /nfs/dbraw/zinc/31/89/98/343318998.db2.gz KPFHUESPPWRCBH-NEPJUHHUSA-N 1 2 260.341 1.474 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1ncccc1C#N ZINC000596430217 343319001 /nfs/dbraw/zinc/31/90/01/343319001.db2.gz KPFHUESPPWRCBH-NEPJUHHUSA-N 1 2 260.341 1.474 20 30 CDEDLO C=CCCSCCNc1[nH+]cnc2c1OCCN2 ZINC000596413618 343315407 /nfs/dbraw/zinc/31/54/07/343315407.db2.gz PNDOEZBDQICIGP-UHFFFAOYSA-N 1 2 266.370 1.424 20 30 CDEDLO C=CCCSCCNc1nc[nH+]c2c1OCCN2 ZINC000596413618 343315408 /nfs/dbraw/zinc/31/54/08/343315408.db2.gz PNDOEZBDQICIGP-UHFFFAOYSA-N 1 2 266.370 1.424 20 30 CDEDLO N#Cc1cccnc1N(CC[NH+]1CCOCC1)CC1CC1 ZINC000596518842 343340823 /nfs/dbraw/zinc/34/08/23/343340823.db2.gz XJKOSIBRHGAYEY-UHFFFAOYSA-N 1 2 286.379 1.502 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CC1(C#N)CCCCC1 ZINC000597160828 343464050 /nfs/dbraw/zinc/46/40/50/343464050.db2.gz MQPZVHPLRVXWQJ-CQSZACIVSA-N 1 2 293.411 1.687 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)CC1(C#N)CCCCC1 ZINC000597160828 343464051 /nfs/dbraw/zinc/46/40/51/343464051.db2.gz MQPZVHPLRVXWQJ-CQSZACIVSA-N 1 2 293.411 1.687 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)c2sccc2C#N)[C@H](C)CO1 ZINC000597999917 343685657 /nfs/dbraw/zinc/68/56/57/343685657.db2.gz SZGNTZPHWGYARI-GHMZBOCLSA-N 1 2 293.392 1.459 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2sccc2C#N)[C@H](C)CO1 ZINC000597999917 343685659 /nfs/dbraw/zinc/68/56/59/343685659.db2.gz SZGNTZPHWGYARI-GHMZBOCLSA-N 1 2 293.392 1.459 20 30 CDEDLO C=CCCSCCNC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000597967873 343686754 /nfs/dbraw/zinc/68/67/54/343686754.db2.gz ALIOPBSOTGHEAC-LBPRGKRZSA-N 1 2 288.482 1.849 20 30 CDEDLO C=C[C@@H]([NH2+]CCCN1CCc2ccccc21)C(=O)OC ZINC000619700032 349856437 /nfs/dbraw/zinc/85/64/37/349856437.db2.gz KVSNNFNWAJMHTC-CQSZACIVSA-N 1 2 274.364 1.756 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000619719568 349869582 /nfs/dbraw/zinc/86/95/82/349869582.db2.gz KWPGIZIXBRGPFL-CQSZACIVSA-N 1 2 294.395 1.439 20 30 CDEDLO C[C@H]1C[N@H+](CCN2CCC[C@@](C)(C#N)C2)CCO1 ZINC000619720361 349870701 /nfs/dbraw/zinc/87/07/01/349870701.db2.gz DSCSPJZPNOBAHM-KBPBESRZSA-N 1 2 251.374 1.333 20 30 CDEDLO C[C@H]1C[N@@H+](CCN2CCC[C@@](C)(C#N)C2)CCO1 ZINC000619720361 349870704 /nfs/dbraw/zinc/87/07/04/349870704.db2.gz DSCSPJZPNOBAHM-KBPBESRZSA-N 1 2 251.374 1.333 20 30 CDEDLO C[C@H]1CN(CC[N@@H+]2CCC[C@@](C)(C#N)C2)CCO1 ZINC000619720361 349870706 /nfs/dbraw/zinc/87/07/06/349870706.db2.gz DSCSPJZPNOBAHM-KBPBESRZSA-N 1 2 251.374 1.333 20 30 CDEDLO C[C@H]1CN(CC[N@H+]2CCC[C@@](C)(C#N)C2)CCO1 ZINC000619720361 349870709 /nfs/dbraw/zinc/87/07/09/349870709.db2.gz DSCSPJZPNOBAHM-KBPBESRZSA-N 1 2 251.374 1.333 20 30 CDEDLO C[C@@H]1C[NH+](C[C@H](O)CC(C)(C)C#N)C[C@@H](C)S1=O ZINC000598615627 343843039 /nfs/dbraw/zinc/84/30/39/343843039.db2.gz KKDMPJIMCLBTMZ-IJLUTSLNSA-N 1 2 272.414 1.128 20 30 CDEDLO CC(C)OC(=O)[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C(C)C ZINC000598621880 343845789 /nfs/dbraw/zinc/84/57/89/343845789.db2.gz YFOSLBWFVSBMOT-OLZOCXBDSA-N 1 2 284.400 1.853 20 30 CDEDLO CO[C@@H]1C[C@@H](c2ncc[nH]2)[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598625548 343847358 /nfs/dbraw/zinc/84/73/58/343847358.db2.gz PVFKCMAWSGNMCK-UPJWGTAASA-N 1 2 292.383 1.472 20 30 CDEDLO CO[C@@H]1C[C@@H](c2ncc[nH]2)[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598625548 343847361 /nfs/dbraw/zinc/84/73/61/343847361.db2.gz PVFKCMAWSGNMCK-UPJWGTAASA-N 1 2 292.383 1.472 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000598628602 343848701 /nfs/dbraw/zinc/84/87/01/343848701.db2.gz QBYGOCDGOBTFLM-QWRGUYRKSA-N 1 2 294.317 1.940 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000598628602 343848702 /nfs/dbraw/zinc/84/87/02/343848702.db2.gz QBYGOCDGOBTFLM-QWRGUYRKSA-N 1 2 294.317 1.940 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000598605629 343852107 /nfs/dbraw/zinc/85/21/07/343852107.db2.gz CHVKPQJSJANCTR-ADLMAVQZSA-N 1 2 272.414 1.130 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[S@@](=O)CC1(C)C ZINC000598605629 343852109 /nfs/dbraw/zinc/85/21/09/343852109.db2.gz CHVKPQJSJANCTR-ADLMAVQZSA-N 1 2 272.414 1.130 20 30 CDEDLO N#Cc1ccccc1OCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598946131 343926074 /nfs/dbraw/zinc/92/60/74/343926074.db2.gz CMACSGKSFQDZPK-ZDUSSCGKSA-N 1 2 296.330 1.265 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CC(=O)N1CCCC1 ZINC000623052672 344160860 /nfs/dbraw/zinc/16/08/60/344160860.db2.gz SUTGNBFVPAZFLK-AWEZNQCLSA-N 1 2 295.427 1.354 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CC(=O)N1CCCC1 ZINC000623052672 344160863 /nfs/dbraw/zinc/16/08/63/344160863.db2.gz SUTGNBFVPAZFLK-AWEZNQCLSA-N 1 2 295.427 1.354 20 30 CDEDLO C[C@@H](NC(=O)c1ccccc1CC#N)c1[nH+]ccn1C ZINC000601676625 344219132 /nfs/dbraw/zinc/21/91/32/344219132.db2.gz UHSHMTVHMJPNEW-LLVKDONJSA-N 1 2 268.320 1.977 20 30 CDEDLO CN(C[C@H]1CCCO1)C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330162095 529966934 /nfs/dbraw/zinc/96/69/34/529966934.db2.gz ADDXRRBFHIWTMX-NWDGAFQWSA-N 1 2 278.356 1.223 20 30 CDEDLO CO[C@]1(C[N@H+](CCC#N)Cc2ccco2)CCOC1 ZINC000602433532 344425060 /nfs/dbraw/zinc/42/50/60/344425060.db2.gz LQWBQVZCXWGFSD-AWEZNQCLSA-N 1 2 264.325 1.801 20 30 CDEDLO CO[C@]1(C[N@@H+](CCC#N)Cc2ccco2)CCOC1 ZINC000602433532 344425061 /nfs/dbraw/zinc/42/50/61/344425061.db2.gz LQWBQVZCXWGFSD-AWEZNQCLSA-N 1 2 264.325 1.801 20 30 CDEDLO COC(=O)[C@H](C)[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602636144 344509902 /nfs/dbraw/zinc/50/99/02/344509902.db2.gz VEPVGLOPVOWREN-QWRGUYRKSA-N 1 2 254.330 1.236 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000602860385 344616169 /nfs/dbraw/zinc/61/61/69/344616169.db2.gz BIIVIUAUXCEUFM-GHMZBOCLSA-N 1 2 289.335 1.677 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCCOc1ccccc1 ZINC000602860225 344616184 /nfs/dbraw/zinc/61/61/84/344616184.db2.gz AFIUKWHSKLYQQE-GFCCVEGCSA-N 1 2 261.325 1.073 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000602927558 344659866 /nfs/dbraw/zinc/65/98/66/344659866.db2.gz UWKVTRQVKMNTOB-ZDUSSCGKSA-N 1 2 291.351 1.674 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000602927558 344659867 /nfs/dbraw/zinc/65/98/67/344659867.db2.gz UWKVTRQVKMNTOB-ZDUSSCGKSA-N 1 2 291.351 1.674 20 30 CDEDLO CCCn1nccc1NC(=O)C[NH2+][C@@H](CC)CC#N ZINC000602844033 344623314 /nfs/dbraw/zinc/62/33/14/344623314.db2.gz YEVJTQVTASUMTP-NSHDSACASA-N 1 2 263.345 1.513 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCCCOc1ccccc1F ZINC000602864614 344638229 /nfs/dbraw/zinc/63/82/29/344638229.db2.gz TVPAUONNWQOSBD-GFCCVEGCSA-N 1 2 293.342 1.603 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000602865673 344638244 /nfs/dbraw/zinc/63/82/44/344638244.db2.gz XKBZACJTYGQADP-FDYHWXHSSA-N 1 2 251.374 1.962 20 30 CDEDLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N)cc1OC ZINC000602869977 344640805 /nfs/dbraw/zinc/64/08/05/344640805.db2.gz RLIFTUJLCLYCLI-GHMZBOCLSA-N 1 2 291.351 1.923 20 30 CDEDLO CC(C)NC(=O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000219793193 344896674 /nfs/dbraw/zinc/89/66/74/344896674.db2.gz GZPALVVGIQMXQK-UHFFFAOYSA-N 1 2 286.379 1.205 20 30 CDEDLO CC[N@@H+](CC(=O)NC(=O)NCc1ccco1)C[C@@H](C)C#N ZINC000049982231 344977328 /nfs/dbraw/zinc/97/73/28/344977328.db2.gz BVCSUVMGXQZONM-NSHDSACASA-N 1 2 292.339 1.087 20 30 CDEDLO CC[N@H+](CC(=O)NC(=O)NCc1ccco1)C[C@@H](C)C#N ZINC000049982231 344977331 /nfs/dbraw/zinc/97/73/31/344977331.db2.gz BVCSUVMGXQZONM-NSHDSACASA-N 1 2 292.339 1.087 20 30 CDEDLO C=CCN(C(=O)Cc1cn2ccccc2[nH+]1)[C@@H](C)COC ZINC000617576030 345862736 /nfs/dbraw/zinc/86/27/36/345862736.db2.gz KKKQFUNDRDSECQ-ZDUSSCGKSA-N 1 2 287.363 1.926 20 30 CDEDLO C=CCCCC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000359218585 346109348 /nfs/dbraw/zinc/10/93/48/346109348.db2.gz SXBQRPOSZCFPQO-UHFFFAOYSA-N 1 2 276.384 1.421 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)C1(C#N)CC(C)C1 ZINC000573752160 334963600 /nfs/dbraw/zinc/96/36/00/334963600.db2.gz SNOHZVARSDCDLV-UHFFFAOYSA-N 1 2 259.309 1.646 20 30 CDEDLO COCC[N@H+](CCC#N)Cc1ccc2c(c1)OCCO2 ZINC000610392158 346269333 /nfs/dbraw/zinc/26/93/33/346269333.db2.gz OBHYHGBEWUMENY-UHFFFAOYSA-N 1 2 276.336 1.820 20 30 CDEDLO COCC[N@@H+](CCC#N)Cc1ccc2c(c1)OCCO2 ZINC000610392158 346269337 /nfs/dbraw/zinc/26/93/37/346269337.db2.gz OBHYHGBEWUMENY-UHFFFAOYSA-N 1 2 276.336 1.820 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1cn[nH]c1 ZINC000610487442 346292112 /nfs/dbraw/zinc/29/21/12/346292112.db2.gz LHUSCKGSGXWBEX-NSHDSACASA-N 1 2 283.335 1.740 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1cn[nH]c1 ZINC000610487442 346292114 /nfs/dbraw/zinc/29/21/14/346292114.db2.gz LHUSCKGSGXWBEX-NSHDSACASA-N 1 2 283.335 1.740 20 30 CDEDLO CC(C)(C)OCCC[N@H+](CCC#N)CCN1CCOCC1 ZINC000610682002 346356870 /nfs/dbraw/zinc/35/68/70/346356870.db2.gz MNPVEYHCMFVRRL-UHFFFAOYSA-N 1 2 297.443 1.739 20 30 CDEDLO CC(C)(C)OCCC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000610682002 346356873 /nfs/dbraw/zinc/35/68/73/346356873.db2.gz MNPVEYHCMFVRRL-UHFFFAOYSA-N 1 2 297.443 1.739 20 30 CDEDLO CC(C)(C)OCCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000610682002 346356874 /nfs/dbraw/zinc/35/68/74/346356874.db2.gz MNPVEYHCMFVRRL-UHFFFAOYSA-N 1 2 297.443 1.739 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(-c2cccnc2)on1 ZINC000584755701 346424438 /nfs/dbraw/zinc/42/44/38/346424438.db2.gz XUZWFQIHCWPONB-HNNXBMFYSA-N 1 2 299.334 1.310 20 30 CDEDLO C[N@@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1(C)C ZINC000584848456 346459606 /nfs/dbraw/zinc/45/96/06/346459606.db2.gz SBXRVCHBGGGXBQ-UHFFFAOYSA-N 1 2 273.336 1.430 20 30 CDEDLO C[N@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1(C)C ZINC000584848456 346459607 /nfs/dbraw/zinc/45/96/07/346459607.db2.gz SBXRVCHBGGGXBQ-UHFFFAOYSA-N 1 2 273.336 1.430 20 30 CDEDLO Cc1c(Cl)cnc(NC[C@@H]2C[NH+]3CCN2CC3)c1C#N ZINC000273293880 192103255 /nfs/dbraw/zinc/10/32/55/192103255.db2.gz FXQRBDXTGKGWSP-LLVKDONJSA-N 1 2 291.786 1.327 20 30 CDEDLO CN(CC(=O)NC1(C#N)CCCCC1)Cc1[nH]cc[nH+]1 ZINC000611191221 346684492 /nfs/dbraw/zinc/68/44/92/346684492.db2.gz QWJHFBKAZMKXNH-UHFFFAOYSA-N 1 2 275.356 1.184 20 30 CDEDLO COc1cc(C[NH+]2CCN(CCC#N)CC2)ccn1 ZINC000611194892 346690537 /nfs/dbraw/zinc/69/05/37/346690537.db2.gz JBTZAMBSPAQHAH-UHFFFAOYSA-N 1 2 260.341 1.121 20 30 CDEDLO COc1cc(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)ccn1 ZINC000611432251 346782962 /nfs/dbraw/zinc/78/29/62/346782962.db2.gz ZRLHEDHVEHJBHG-HNNXBMFYSA-N 1 2 288.395 1.756 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(NC)c2ccccc2[nH+]1 ZINC000450501209 362829337 /nfs/dbraw/zinc/82/93/37/362829337.db2.gz PEGABYCACFZJMJ-DOMZBBRYSA-N 1 2 298.390 1.908 20 30 CDEDLO N#CCNC(=O)C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000066473444 347488744 /nfs/dbraw/zinc/48/87/44/347488744.db2.gz LXZAZJBPSCXMKZ-GFCCVEGCSA-N 1 2 293.392 1.369 20 30 CDEDLO N#CCNC(=O)C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000066473444 347488748 /nfs/dbraw/zinc/48/87/48/347488748.db2.gz LXZAZJBPSCXMKZ-GFCCVEGCSA-N 1 2 293.392 1.369 20 30 CDEDLO COCCCNC(=O)C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000030972575 348681892 /nfs/dbraw/zinc/68/18/92/348681892.db2.gz CYRAHUJHPFOVCP-UHFFFAOYSA-N 1 2 293.342 1.282 20 30 CDEDLO COCCCNC(=O)C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000030972575 348681895 /nfs/dbraw/zinc/68/18/95/348681895.db2.gz CYRAHUJHPFOVCP-UHFFFAOYSA-N 1 2 293.342 1.282 20 30 CDEDLO C[C@@H](C#N)CN(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000046944570 348801139 /nfs/dbraw/zinc/80/11/39/348801139.db2.gz XXLPDYNHFITVBO-LBPRGKRZSA-N 1 2 275.356 1.685 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC000069022687 349087114 /nfs/dbraw/zinc/08/71/14/349087114.db2.gz IPMPAADPGNKYJL-UHFFFAOYSA-N 1 2 272.348 1.015 20 30 CDEDLO COc1cc[nH+]c(CN2CCN(CCC#N)CC2)c1OC ZINC000616111363 349296384 /nfs/dbraw/zinc/29/63/84/349296384.db2.gz CRSMCEPYPVUOLD-UHFFFAOYSA-N 1 2 290.367 1.130 20 30 CDEDLO C=CC[N@@H+](CCS(=O)(=O)NC)Cc1ccc(OC)cc1 ZINC000621248993 350502582 /nfs/dbraw/zinc/50/25/82/350502582.db2.gz FMWDMGQVQBBLRG-UHFFFAOYSA-N 1 2 298.408 1.232 20 30 CDEDLO C=CC[N@H+](CCS(=O)(=O)NC)Cc1ccc(OC)cc1 ZINC000621248993 350502585 /nfs/dbraw/zinc/50/25/85/350502585.db2.gz FMWDMGQVQBBLRG-UHFFFAOYSA-N 1 2 298.408 1.232 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNc2ccc(Cl)c(C#N)n2)C1 ZINC000109129213 186244087 /nfs/dbraw/zinc/24/40/87/186244087.db2.gz JAPIYLFYBNMNJG-SECBINFHSA-N 1 2 266.732 1.349 20 30 CDEDLO C[N@H+]1CCO[C@H](CNc2ccc(Cl)c(C#N)n2)C1 ZINC000109129213 186244088 /nfs/dbraw/zinc/24/40/88/186244088.db2.gz JAPIYLFYBNMNJG-SECBINFHSA-N 1 2 266.732 1.349 20 30 CDEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NCC1CC1 ZINC000109813630 358474922 /nfs/dbraw/zinc/47/49/22/358474922.db2.gz NOXXQNTWZUMDIC-UHFFFAOYSA-N 1 2 251.374 1.774 20 30 CDEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NCC1CC1 ZINC000109813630 358474923 /nfs/dbraw/zinc/47/49/23/358474923.db2.gz NOXXQNTWZUMDIC-UHFFFAOYSA-N 1 2 251.374 1.774 20 30 CDEDLO N#Cc1ccc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)s1 ZINC000157074736 188296198 /nfs/dbraw/zinc/29/61/98/188296198.db2.gz OHNFOTNJIXZIQT-NSHDSACASA-N 1 2 296.417 1.771 20 30 CDEDLO N#Cc1ccc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)s1 ZINC000157074736 188296200 /nfs/dbraw/zinc/29/62/00/188296200.db2.gz OHNFOTNJIXZIQT-NSHDSACASA-N 1 2 296.417 1.771 20 30 CDEDLO C=CCOc1cccc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000157582584 188325647 /nfs/dbraw/zinc/32/56/47/188325647.db2.gz GABRGQHIQGUKCL-AWEZNQCLSA-N 1 2 295.404 1.870 20 30 CDEDLO C=CCOc1cccc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000157582584 188325648 /nfs/dbraw/zinc/32/56/48/188325648.db2.gz GABRGQHIQGUKCL-AWEZNQCLSA-N 1 2 295.404 1.870 20 30 CDEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(CC(N)=O)CC1 ZINC000158509293 188379994 /nfs/dbraw/zinc/37/99/94/188379994.db2.gz TUIUNJBRVXRNBG-UHFFFAOYSA-N 1 2 275.327 1.785 20 30 CDEDLO Cn1cc(C[NH+]2CCN(c3ccnc(C#N)c3)CC2)cn1 ZINC000342227679 363239530 /nfs/dbraw/zinc/23/95/30/363239530.db2.gz PXLYKUKDKQDWMQ-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000336307276 363337615 /nfs/dbraw/zinc/33/76/15/363337615.db2.gz IVFOPBKHQKDTKH-OLZOCXBDSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000644543293 366170114 /nfs/dbraw/zinc/17/01/14/366170114.db2.gz UUBIYECUSQIJNT-CYBMUJFWSA-N 1 2 277.372 1.318 20 30 CDEDLO C[N@H+](Cc1ccoc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000342630242 356092346 /nfs/dbraw/zinc/09/23/46/356092346.db2.gz IMWPKHYGENGFFD-CQSZACIVSA-N 1 2 269.304 1.810 20 30 CDEDLO C[N@@H+](Cc1ccoc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000342630242 356092347 /nfs/dbraw/zinc/09/23/47/356092347.db2.gz IMWPKHYGENGFFD-CQSZACIVSA-N 1 2 269.304 1.810 20 30 CDEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000336360286 356158242 /nfs/dbraw/zinc/15/82/42/356158242.db2.gz KHGADGWXPZUCBK-CQSZACIVSA-N 1 2 280.331 1.634 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCOc1ccc(F)cc1 ZINC000580316974 366247655 /nfs/dbraw/zinc/24/76/55/366247655.db2.gz IPLPREPVKNMAIL-OAHLLOKOSA-N 1 2 293.342 1.555 20 30 CDEDLO N#CC1(F)CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000352466128 363503218 /nfs/dbraw/zinc/50/32/18/363503218.db2.gz AGAJRVTVOMZDQL-GFCCVEGCSA-N 1 2 261.300 1.541 20 30 CDEDLO N#CC1(F)CC[NH+](CC(=O)NCc2cccs2)CC1 ZINC000352467679 363493410 /nfs/dbraw/zinc/49/34/10/363493410.db2.gz MLWCNJJMEXGAGB-UHFFFAOYSA-N 1 2 281.356 1.692 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1cncc(F)c1 ZINC000493438261 366370707 /nfs/dbraw/zinc/37/07/07/366370707.db2.gz XPODULOMEITCLE-ISZGNANSSA-N 1 2 276.315 1.194 20 30 CDEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1nccc(N)n1 ZINC000135009387 357036089 /nfs/dbraw/zinc/03/60/89/357036089.db2.gz OYOCBIKFDXEGOB-UHFFFAOYSA-N 1 2 297.362 1.579 20 30 CDEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1nccc(N)n1 ZINC000135009387 357036091 /nfs/dbraw/zinc/03/60/91/357036091.db2.gz OYOCBIKFDXEGOB-UHFFFAOYSA-N 1 2 297.362 1.579 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)C[C@@H](C2CC2)O1 ZINC000279455444 357189654 /nfs/dbraw/zinc/18/96/54/357189654.db2.gz ZTQIRMWKRMMKHE-WBMJQRKESA-N 1 2 299.374 1.996 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)C[C@@H](C2CC2)O1 ZINC000279455444 357189656 /nfs/dbraw/zinc/18/96/56/357189656.db2.gz ZTQIRMWKRMMKHE-WBMJQRKESA-N 1 2 299.374 1.996 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000491771369 357491523 /nfs/dbraw/zinc/49/15/23/357491523.db2.gz RIVSAGIVORPWPY-SNVBAGLBSA-N 1 2 263.341 1.864 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000491771369 357491526 /nfs/dbraw/zinc/49/15/26/357491526.db2.gz RIVSAGIVORPWPY-SNVBAGLBSA-N 1 2 263.341 1.864 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)ccc1F ZINC000185193702 357520212 /nfs/dbraw/zinc/52/02/12/357520212.db2.gz VHNJGQDSYQHMLH-HNNXBMFYSA-N 1 2 276.311 1.689 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCO[C@@]3(CCOC3)C2)ccc1F ZINC000185193702 357520217 /nfs/dbraw/zinc/52/02/17/357520217.db2.gz VHNJGQDSYQHMLH-HNNXBMFYSA-N 1 2 276.311 1.689 20 30 CDEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccc(C#N)c1 ZINC000408084589 357816994 /nfs/dbraw/zinc/81/69/94/357816994.db2.gz RKSIOGBSOMHVML-NWDGAFQWSA-N 1 2 293.392 1.271 20 30 CDEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccc(C#N)c1 ZINC000408084589 357816996 /nfs/dbraw/zinc/81/69/96/357816996.db2.gz RKSIOGBSOMHVML-NWDGAFQWSA-N 1 2 293.392 1.271 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H](C)O1 ZINC000188393822 357890814 /nfs/dbraw/zinc/89/08/14/357890814.db2.gz ZOYOGJNGXGSAKZ-WDEREUQCSA-N 1 2 266.366 1.855 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H](C)O1 ZINC000188393822 357890817 /nfs/dbraw/zinc/89/08/17/357890817.db2.gz ZOYOGJNGXGSAKZ-WDEREUQCSA-N 1 2 266.366 1.855 20 30 CDEDLO C#CCCOc1ccc(C(=O)NCc2[nH+]ccn2C)cc1 ZINC000294559485 199086051 /nfs/dbraw/zinc/08/60/51/199086051.db2.gz KYKNHMZYWGIRSJ-UHFFFAOYSA-N 1 2 283.331 1.752 20 30 CDEDLO Cn1cc(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)cc1C#N ZINC000191218028 358119707 /nfs/dbraw/zinc/11/97/07/358119707.db2.gz ITZCHEUWRCHPNB-UHFFFAOYSA-N 1 2 288.395 1.587 20 30 CDEDLO COC(=O)[C@@H](C)[N@H+](Cc1cc(C#N)n(C)c1)C1CCC1 ZINC000191645242 358144275 /nfs/dbraw/zinc/14/42/75/358144275.db2.gz QHTPCARDQQRQQN-LLVKDONJSA-N 1 2 275.352 1.813 20 30 CDEDLO COC(=O)[C@@H](C)[N@@H+](Cc1cc(C#N)n(C)c1)C1CCC1 ZINC000191645242 358144278 /nfs/dbraw/zinc/14/42/78/358144278.db2.gz QHTPCARDQQRQQN-LLVKDONJSA-N 1 2 275.352 1.813 20 30 CDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(CCC(C)(C)C#N)CC1 ZINC000157520238 358233929 /nfs/dbraw/zinc/23/39/29/358233929.db2.gz VSPGULVGWLUIHA-CYBMUJFWSA-N 1 2 292.427 1.211 20 30 CDEDLO Cc1nc(N2CC[NH+](CCO)CC2)c(Cl)cc1C#N ZINC000290898295 358762620 /nfs/dbraw/zinc/76/26/20/358762620.db2.gz DRFANXWZLVECSV-UHFFFAOYSA-N 1 2 280.759 1.029 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1ccc(F)cc1 ZINC000493829507 366496090 /nfs/dbraw/zinc/49/60/90/366496090.db2.gz WXSMTRISNHSGJB-PPYMECGQSA-N 1 2 275.327 1.799 20 30 CDEDLO Cc1nsc(NCCC[NH+]2CCOCC2)c1C#N ZINC000092912290 358887703 /nfs/dbraw/zinc/88/77/03/358887703.db2.gz QZHDSXGYTVCTPH-UHFFFAOYSA-N 1 2 266.370 1.457 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000494225564 366503229 /nfs/dbraw/zinc/50/32/29/366503229.db2.gz AVBLAKFCCGQLSJ-ZFWWWQNUSA-N 1 2 293.411 1.600 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000494225564 366503232 /nfs/dbraw/zinc/50/32/32/366503232.db2.gz AVBLAKFCCGQLSJ-ZFWWWQNUSA-N 1 2 293.411 1.600 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000273458790 359467641 /nfs/dbraw/zinc/46/76/41/359467641.db2.gz DILGMBXKRJMRKB-OAHLLOKOSA-N 1 2 285.391 1.255 20 30 CDEDLO C#CC[N@@H+](CC(=O)N(C)Cc1ccc(F)cc1)C1CC1 ZINC000274173988 359492267 /nfs/dbraw/zinc/49/22/67/359492267.db2.gz NZAGWQQZBBRHSE-UHFFFAOYSA-N 1 2 274.339 1.882 20 30 CDEDLO C#CC[N@H+](CC(=O)N(C)Cc1ccc(F)cc1)C1CC1 ZINC000274173988 359492272 /nfs/dbraw/zinc/49/22/72/359492272.db2.gz NZAGWQQZBBRHSE-UHFFFAOYSA-N 1 2 274.339 1.882 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000277478475 359563042 /nfs/dbraw/zinc/56/30/42/359563042.db2.gz ZQMSAPBMBXVZTD-AWEZNQCLSA-N 1 2 286.379 1.313 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000277478475 359563044 /nfs/dbraw/zinc/56/30/44/359563044.db2.gz ZQMSAPBMBXVZTD-AWEZNQCLSA-N 1 2 286.379 1.313 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ncc(F)cc2F)CC1 ZINC000277586967 359565019 /nfs/dbraw/zinc/56/50/19/359565019.db2.gz ZYQLGRIGDWWBDC-UHFFFAOYSA-N 1 2 279.290 1.141 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+](CC)C[C@H](O)C(F)(F)F ZINC000275041882 359526669 /nfs/dbraw/zinc/52/66/69/359526669.db2.gz HJUAMVWJCMDDJF-NSHDSACASA-N 1 2 294.317 1.432 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+](CC)C[C@H](O)C(F)(F)F ZINC000275041882 359526673 /nfs/dbraw/zinc/52/66/73/359526673.db2.gz HJUAMVWJCMDDJF-NSHDSACASA-N 1 2 294.317 1.432 20 30 CDEDLO C=C(C)CNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000275026038 359526744 /nfs/dbraw/zinc/52/67/44/359526744.db2.gz OCSWFAPUORUNHW-UHFFFAOYSA-N 1 2 290.367 1.294 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N ZINC000527190411 359910151 /nfs/dbraw/zinc/91/01/51/359910151.db2.gz FNOZRNPQOLEUQL-HNNXBMFYSA-N 1 2 289.383 1.396 20 30 CDEDLO C[C@H](CC(=O)N1CCSC[C@H]1C#N)n1cc[nH+]c1 ZINC000570519183 363700189 /nfs/dbraw/zinc/70/01/89/363700189.db2.gz DKJWHGXYVVXALR-GHMZBOCLSA-N 1 2 264.354 1.302 20 30 CDEDLO Cc1cccn2cc(CC(=O)N(C)[C@H](C)C#N)[nH+]c12 ZINC000335345577 359987269 /nfs/dbraw/zinc/98/72/69/359987269.db2.gz BRVAWIBDFTVAHX-LLVKDONJSA-N 1 2 256.309 1.556 20 30 CDEDLO CC[C@@H](C)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC(=O)OC ZINC000337239082 360040975 /nfs/dbraw/zinc/04/09/75/360040975.db2.gz MRAOAKQNSYZSRW-ABAIWWIYSA-N 1 2 295.383 1.068 20 30 CDEDLO CC[C@@H](C)[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC(=O)OC ZINC000337239082 360040979 /nfs/dbraw/zinc/04/09/79/360040979.db2.gz MRAOAKQNSYZSRW-ABAIWWIYSA-N 1 2 295.383 1.068 20 30 CDEDLO CC[N@@H+](Cc1cc(C(N)=O)cs1)C[C@@H](C)C#N ZINC000091984021 360259427 /nfs/dbraw/zinc/25/94/27/360259427.db2.gz KUPYMGKQRTYWAG-VIFPVBQESA-N 1 2 251.355 1.829 20 30 CDEDLO CC[N@H+](Cc1cc(C(N)=O)cs1)C[C@@H](C)C#N ZINC000091984021 360259435 /nfs/dbraw/zinc/25/94/35/360259435.db2.gz KUPYMGKQRTYWAG-VIFPVBQESA-N 1 2 251.355 1.829 20 30 CDEDLO Cc1ccn2c(CN3CCO[C@@H](C#N)C3)c[nH+]c2c1 ZINC000093135223 360292415 /nfs/dbraw/zinc/29/24/15/360292415.db2.gz FWMILLLICYUHRX-ZDUSSCGKSA-N 1 2 256.309 1.367 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(C#N)s1 ZINC000566467079 360346626 /nfs/dbraw/zinc/34/66/26/360346626.db2.gz RPJKLCLVQUKGLE-VIFPVBQESA-N 1 2 274.349 1.838 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(C#N)s1 ZINC000566467079 360346632 /nfs/dbraw/zinc/34/66/32/360346632.db2.gz RPJKLCLVQUKGLE-VIFPVBQESA-N 1 2 274.349 1.838 20 30 CDEDLO COCC[N@H+](CC(=O)N(C)C)Cc1ccc(C#N)s1 ZINC000130420278 360309535 /nfs/dbraw/zinc/30/95/35/360309535.db2.gz KLLQCOQSZGCKRE-UHFFFAOYSA-N 1 2 281.381 1.156 20 30 CDEDLO COCC[N@@H+](CC(=O)N(C)C)Cc1ccc(C#N)s1 ZINC000130420278 360309540 /nfs/dbraw/zinc/30/95/40/360309540.db2.gz KLLQCOQSZGCKRE-UHFFFAOYSA-N 1 2 281.381 1.156 20 30 CDEDLO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCc3[nH]ncc32)CC1 ZINC000177348596 189044780 /nfs/dbraw/zinc/04/47/80/189044780.db2.gz KPPREPUHUWHUTJ-CYBMUJFWSA-N 1 2 288.395 1.596 20 30 CDEDLO C=C(C)C[N@@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000335726121 360529293 /nfs/dbraw/zinc/52/92/93/360529293.db2.gz KKSOHYOWBWBCBH-UHFFFAOYSA-N 1 2 280.393 1.844 20 30 CDEDLO C=C(C)C[N@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000335726121 360529296 /nfs/dbraw/zinc/52/92/96/360529296.db2.gz KKSOHYOWBWBCBH-UHFFFAOYSA-N 1 2 280.393 1.844 20 30 CDEDLO C=C(C)CNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000355942128 360502091 /nfs/dbraw/zinc/50/20/91/360502091.db2.gz UFAUJAYJHFPLPE-CYBMUJFWSA-N 1 2 292.383 1.175 20 30 CDEDLO C=C(C)CNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000355942128 360502095 /nfs/dbraw/zinc/50/20/95/360502095.db2.gz UFAUJAYJHFPLPE-CYBMUJFWSA-N 1 2 292.383 1.175 20 30 CDEDLO C[C@H]1COC(C)(C)C[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000408358882 360705022 /nfs/dbraw/zinc/70/50/22/360705022.db2.gz IUFBDWWWFNCCGX-NHYWBVRUSA-N 1 2 279.384 1.294 20 30 CDEDLO C[C@H]1COC(C)(C)C[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000408358882 360705024 /nfs/dbraw/zinc/70/50/24/360705024.db2.gz IUFBDWWWFNCCGX-NHYWBVRUSA-N 1 2 279.384 1.294 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CC(=O)N(CC)C[C@H](C)C#N ZINC000247169090 361026899 /nfs/dbraw/zinc/02/68/99/361026899.db2.gz JJNQUBAPULWROX-OLZOCXBDSA-N 1 2 267.373 1.105 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CC(=O)N(CC)C[C@H](C)C#N ZINC000247169090 361026906 /nfs/dbraw/zinc/02/69/06/361026906.db2.gz JJNQUBAPULWROX-OLZOCXBDSA-N 1 2 267.373 1.105 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCOC2(CCCC2)C1 ZINC000158383276 361223753 /nfs/dbraw/zinc/22/37/53/361223753.db2.gz ADKOHRRYGHAYLQ-AWEZNQCLSA-N 1 2 293.411 1.640 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCOC2(CCCC2)C1 ZINC000158383276 361223757 /nfs/dbraw/zinc/22/37/57/361223757.db2.gz ADKOHRRYGHAYLQ-AWEZNQCLSA-N 1 2 293.411 1.640 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000645769924 361355567 /nfs/dbraw/zinc/35/55/67/361355567.db2.gz JOZVLYCAOSSJOM-CYBMUJFWSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCc2c(cccc2OC)C1 ZINC000182700288 189331898 /nfs/dbraw/zinc/33/18/98/189331898.db2.gz OCNJMXMLEGDRFN-UHFFFAOYSA-N 1 2 260.337 1.356 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCc2c(cccc2OC)C1 ZINC000182700288 189331899 /nfs/dbraw/zinc/33/18/99/189331899.db2.gz OCNJMXMLEGDRFN-UHFFFAOYSA-N 1 2 260.337 1.356 20 30 CDEDLO C=C(C)CS(=O)(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000435436785 361395357 /nfs/dbraw/zinc/39/53/57/361395357.db2.gz HCSMKMBSMXUSQL-UHFFFAOYSA-N 1 2 291.376 1.868 20 30 CDEDLO C[C@H](Nc1snc(Cl)c1C#N)[C@H]1C[N@H+](C)CCO1 ZINC000301744724 201172166 /nfs/dbraw/zinc/17/21/66/201172166.db2.gz GQWONENSKDPZDK-IONNQARKSA-N 1 2 286.788 1.799 20 30 CDEDLO C[C@H](Nc1snc(Cl)c1C#N)[C@H]1C[N@@H+](C)CCO1 ZINC000301744724 201172169 /nfs/dbraw/zinc/17/21/69/201172169.db2.gz GQWONENSKDPZDK-IONNQARKSA-N 1 2 286.788 1.799 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000184178025 189378596 /nfs/dbraw/zinc/37/85/96/189378596.db2.gz DTJBUYLLDPBZEV-KBPBESRZSA-N 1 2 292.379 1.721 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH2+][C@@H](COC)c1ccc(C)o1 ZINC000184689286 189392743 /nfs/dbraw/zinc/39/27/43/189392743.db2.gz PTSGGKIPXFXWQW-RYUDHWBXSA-N 1 2 264.325 1.003 20 30 CDEDLO C=CCCS(=O)(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159303924 361654420 /nfs/dbraw/zinc/65/44/20/361654420.db2.gz FFMZFDOHGZPWTD-LBPRGKRZSA-N 1 2 281.381 1.156 20 30 CDEDLO C[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000545398588 364072621 /nfs/dbraw/zinc/07/26/21/364072621.db2.gz UEOFLWGRSKDNEF-CYBMUJFWSA-N 1 2 279.365 1.405 20 30 CDEDLO C[C@]1(CO)CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000545398588 364072623 /nfs/dbraw/zinc/07/26/23/364072623.db2.gz UEOFLWGRSKDNEF-CYBMUJFWSA-N 1 2 279.365 1.405 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170862165 364409740 /nfs/dbraw/zinc/40/97/40/364409740.db2.gz GUZPMNKJKIUVLM-CYBMUJFWSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170862165 364409746 /nfs/dbraw/zinc/40/97/46/364409746.db2.gz GUZPMNKJKIUVLM-CYBMUJFWSA-N 1 2 284.400 1.195 20 30 CDEDLO C[C@@H](C#N)OCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496982304 366861727 /nfs/dbraw/zinc/86/17/27/366861727.db2.gz WQUCFQPKCIRSQO-LBPRGKRZSA-N 1 2 283.372 1.468 20 30 CDEDLO C=C[C@@H](C)Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000302921133 364600650 /nfs/dbraw/zinc/60/06/50/364600650.db2.gz ZXKCAZDIQMMGTE-NEPJUHHUSA-N 1 2 262.357 1.814 20 30 CDEDLO C=C[C@@H](C)Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000302921133 364600654 /nfs/dbraw/zinc/60/06/54/364600654.db2.gz ZXKCAZDIQMMGTE-NEPJUHHUSA-N 1 2 262.357 1.814 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](C)[S@](=O)[C@@H](CC)C2)C1=O ZINC000352896167 364569592 /nfs/dbraw/zinc/56/95/92/364569592.db2.gz ZFRTYWRGVVSLPP-LRBFIZQNSA-N 1 2 284.425 1.005 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](C)[S@](=O)[C@@H](CC)C2)C1=O ZINC000352896167 364569600 /nfs/dbraw/zinc/56/96/00/364569600.db2.gz ZFRTYWRGVVSLPP-LRBFIZQNSA-N 1 2 284.425 1.005 20 30 CDEDLO C[C@@H](CNc1nccc(C#N)c1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000268539850 364800666 /nfs/dbraw/zinc/80/06/66/364800666.db2.gz YYXJYUAPYWGAMN-JTQLQIEISA-N 1 2 286.295 1.806 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)C[C@H](C)O1 ZINC000111275591 364953116 /nfs/dbraw/zinc/95/31/16/364953116.db2.gz QARKZPFDXNOAII-MELADBBJSA-N 1 2 281.400 1.494 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)C[C@H](C)O1 ZINC000111275591 364953120 /nfs/dbraw/zinc/95/31/20/364953120.db2.gz QARKZPFDXNOAII-MELADBBJSA-N 1 2 281.400 1.494 20 30 CDEDLO C=CCNC(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000033477227 364969565 /nfs/dbraw/zinc/96/95/65/364969565.db2.gz VORIHMBCPGMTIP-RMKNXTFCSA-N 1 2 299.418 1.620 20 30 CDEDLO C=CCNC(=O)C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000033477227 364969575 /nfs/dbraw/zinc/96/95/75/364969575.db2.gz VORIHMBCPGMTIP-RMKNXTFCSA-N 1 2 299.418 1.620 20 30 CDEDLO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ncn(C)n1 ZINC000275523757 193066302 /nfs/dbraw/zinc/06/63/02/193066302.db2.gz JKGBUEGBSSVWGO-VIFPVBQESA-N 1 2 259.288 1.677 20 30 CDEDLO COC(=O)[C@@H](C)[N@H+](Cc1ccc(C#N)cn1)C1CCC1 ZINC000580276601 365326308 /nfs/dbraw/zinc/32/63/08/365326308.db2.gz RGTDJOYQJSQRQM-LLVKDONJSA-N 1 2 273.336 1.869 20 30 CDEDLO COC(=O)[C@@H](C)[N@@H+](Cc1ccc(C#N)cn1)C1CCC1 ZINC000580276601 365326312 /nfs/dbraw/zinc/32/63/12/365326312.db2.gz RGTDJOYQJSQRQM-LLVKDONJSA-N 1 2 273.336 1.869 20 30 CDEDLO CN1CC[N@H+](CCOc2ccccc2C#N)C(C)(C)C1=O ZINC000094865824 367387485 /nfs/dbraw/zinc/38/74/85/367387485.db2.gz MNSAQMXVQRKKKH-UHFFFAOYSA-N 1 2 287.363 1.490 20 30 CDEDLO CN1CC[N@@H+](CCOc2ccccc2C#N)C(C)(C)C1=O ZINC000094865824 367387493 /nfs/dbraw/zinc/38/74/93/367387493.db2.gz MNSAQMXVQRKKKH-UHFFFAOYSA-N 1 2 287.363 1.490 20 30 CDEDLO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)C[C@H](C)C#N ZINC000358506696 367734786 /nfs/dbraw/zinc/73/47/86/367734786.db2.gz JUVNNDXRQYQXKW-AAVRWANBSA-N 1 2 265.401 1.971 20 30 CDEDLO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+](C)C[C@H](C)C#N ZINC000358506696 367734788 /nfs/dbraw/zinc/73/47/88/367734788.db2.gz JUVNNDXRQYQXKW-AAVRWANBSA-N 1 2 265.401 1.971 20 30 CDEDLO N#CCc1ccc(C[NH+]2CCN(C(=O)C3CC3)CC2)cc1 ZINC000544143095 369017698 /nfs/dbraw/zinc/01/76/98/369017698.db2.gz XBMNKRWNJJZRDL-UHFFFAOYSA-N 1 2 283.375 1.807 20 30 CDEDLO C#CC[N@H+](Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000072971805 369154110 /nfs/dbraw/zinc/15/41/10/369154110.db2.gz KQCABHAQGBERLJ-AWEZNQCLSA-N 1 2 263.362 1.309 20 30 CDEDLO C#CC[N@@H+](Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000072971805 369154113 /nfs/dbraw/zinc/15/41/13/369154113.db2.gz KQCABHAQGBERLJ-AWEZNQCLSA-N 1 2 263.362 1.309 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000330743360 203179922 /nfs/dbraw/zinc/17/99/22/203179922.db2.gz 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/nfs/dbraw/zinc/54/89/13/372548913.db2.gz LHVJECCSEBAFML-UHFFFAOYSA-N 1 2 299.378 1.785 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCNC(=O)[C@@H]1c1cccc(C)c1 ZINC000579004339 372549979 /nfs/dbraw/zinc/54/99/79/372549979.db2.gz HNAGDPAARGMVLR-HOTGVXAUSA-N 1 2 288.391 1.795 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCNC(=O)[C@@H]1c1cccc(C)c1 ZINC000579004339 372549987 /nfs/dbraw/zinc/54/99/87/372549987.db2.gz HNAGDPAARGMVLR-HOTGVXAUSA-N 1 2 288.391 1.795 20 30 CDEDLO C[C@@H](C#N)CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000182868500 372631237 /nfs/dbraw/zinc/63/12/37/372631237.db2.gz SEZSLQZVTWEHBJ-WDEREUQCSA-N 1 2 261.329 1.806 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000183502509 372641680 /nfs/dbraw/zinc/64/16/80/372641680.db2.gz SXLWWDHCZQTGDX-GFCCVEGCSA-N 1 2 250.346 1.927 20 30 CDEDLO CCN1CCC[N@H+](CCOc2ccccc2C#N)CC1=O ZINC000190221910 373328731 /nfs/dbraw/zinc/32/87/31/373328731.db2.gz GNHUCXQGJUSRGB-UHFFFAOYSA-N 1 2 287.363 1.491 20 30 CDEDLO CCN1CCC[N@@H+](CCOc2ccccc2C#N)CC1=O ZINC000190221910 373328739 /nfs/dbraw/zinc/32/87/39/373328739.db2.gz GNHUCXQGJUSRGB-UHFFFAOYSA-N 1 2 287.363 1.491 20 30 CDEDLO C=CC[N@@H+](CCOC)[C@H](C(=O)N(C)C)c1ccccc1 ZINC000191125190 373452735 /nfs/dbraw/zinc/45/27/35/373452735.db2.gz ZMEMYJGXGPGEEA-HNNXBMFYSA-N 1 2 276.380 1.950 20 30 CDEDLO C=CC[N@H+](CCOC)[C@H](C(=O)N(C)C)c1ccccc1 ZINC000191125190 373452747 /nfs/dbraw/zinc/45/27/47/373452747.db2.gz ZMEMYJGXGPGEEA-HNNXBMFYSA-N 1 2 276.380 1.950 20 30 CDEDLO N#Cc1cc(N2CCN(c3cccc[nH+]3)CC2)ccn1 ZINC000060537867 373664196 /nfs/dbraw/zinc/66/41/96/373664196.db2.gz YDGSPXYKTWHSRO-UHFFFAOYSA-N 1 2 265.320 1.675 20 30 CDEDLO N#Cc1ccc([N+](=O)[O-])c(N2CC(n3cc[nH+]c3)C2)c1 ZINC000547340313 373741944 /nfs/dbraw/zinc/74/19/44/373741944.db2.gz JBGIWGVEJLAAGL-UHFFFAOYSA-N 1 2 269.264 1.724 20 30 CDEDLO COCC[NH+](CCOC)Cc1ccc(F)cc1C#N ZINC000103139127 373834119 /nfs/dbraw/zinc/83/41/19/373834119.db2.gz ULVXJQNXRXTDEF-UHFFFAOYSA-N 1 2 266.316 1.792 20 30 CDEDLO CN(CCOCc1ccc(C#N)cc1)C(=O)Cn1cc[nH+]c1 ZINC000360595693 374016939 /nfs/dbraw/zinc/01/69/39/374016939.db2.gz HNLPGWGUMRYWGK-UHFFFAOYSA-N 1 2 298.346 1.430 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3ccc(Cl)cc3C#N)C[C@H]21 ZINC000359876470 373990146 /nfs/dbraw/zinc/99/01/46/373990146.db2.gz MLHZCXIWVKDVPS-CABCVRRESA-N 1 2 291.782 1.726 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3ccc(Cl)cc3C#N)C[C@H]21 ZINC000359876470 373990156 /nfs/dbraw/zinc/99/01/56/373990156.db2.gz MLHZCXIWVKDVPS-CABCVRRESA-N 1 2 291.782 1.726 20 30 CDEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2CO)c(OC(F)F)c1 ZINC000352020034 374298870 /nfs/dbraw/zinc/29/88/70/374298870.db2.gz GOYLMMLSQBUQBZ-RYUDHWBXSA-N 1 2 298.289 1.087 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c(OC(F)F)c1 ZINC000352020034 374298876 /nfs/dbraw/zinc/29/88/76/374298876.db2.gz GOYLMMLSQBUQBZ-RYUDHWBXSA-N 1 2 298.289 1.087 20 30 CDEDLO N#Cc1ccccc1OCC[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000378154978 374633310 /nfs/dbraw/zinc/63/33/10/374633310.db2.gz NQCDLFHUQHSMPR-CYBMUJFWSA-N 1 2 287.319 1.073 20 30 CDEDLO N#Cc1ccccc1OCC[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000378154978 374633319 /nfs/dbraw/zinc/63/33/19/374633319.db2.gz NQCDLFHUQHSMPR-CYBMUJFWSA-N 1 2 287.319 1.073 20 30 CDEDLO C[C@H](O)C[NH+]1CCN(c2snc(Cl)c2C#N)CC1 ZINC000274993395 374688116 /nfs/dbraw/zinc/68/81/16/374688116.db2.gz FATUCXJLFAIOTC-QMMMGPOBSA-N 1 2 286.788 1.171 20 30 CDEDLO N#Cc1cccnc1NCC1([NH+]2CCOCC2)CC1 ZINC000277363006 374784539 /nfs/dbraw/zinc/78/45/39/374784539.db2.gz HBUJCUUTBCOLRR-UHFFFAOYSA-N 1 2 258.325 1.230 20 30 CDEDLO Cc1onc(CC(=O)NCc2cn3c([nH+]2)CCCC3)c1C#N ZINC000331416688 374950182 /nfs/dbraw/zinc/95/01/82/374950182.db2.gz DIAXSEOVOZTLRN-UHFFFAOYSA-N 1 2 299.334 1.246 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(C#N)s1 ZINC000125955613 375077797 /nfs/dbraw/zinc/07/77/97/375077797.db2.gz GIFQXIRRJHPSSE-VIFPVBQESA-N 1 2 272.395 1.485 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000125955613 375077801 /nfs/dbraw/zinc/07/78/01/375077801.db2.gz GIFQXIRRJHPSSE-VIFPVBQESA-N 1 2 272.395 1.485 20 30 CDEDLO Cc1cc(N[C@H]2CCc3c[nH]nc3C2)c(C#N)c[nH+]1 ZINC000333538633 375089077 /nfs/dbraw/zinc/08/90/77/375089077.db2.gz ZNXAKEFRFWFKQR-LBPRGKRZSA-N 1 2 253.309 1.376 20 30 CDEDLO C[C@H]([C@H](C)[N@H+](C)Cc1ccc(C#N)s1)S(C)(=O)=O ZINC000126657865 375145254 /nfs/dbraw/zinc/14/52/54/375145254.db2.gz ADVMHUKYXVAKEH-VHSXEESVSA-N 1 2 286.422 1.873 20 30 CDEDLO C[C@H]([C@H](C)[N@@H+](C)Cc1ccc(C#N)s1)S(C)(=O)=O ZINC000126657865 375145258 /nfs/dbraw/zinc/14/52/58/375145258.db2.gz ADVMHUKYXVAKEH-VHSXEESVSA-N 1 2 286.422 1.873 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000135023233 375672111 /nfs/dbraw/zinc/67/21/11/375672111.db2.gz SCLBMKAECZQPBV-NFAWXSAZSA-N 1 2 268.401 1.814 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135650080 375723543 /nfs/dbraw/zinc/72/35/43/375723543.db2.gz OWJFIYCOHXEURY-UHFFFAOYSA-N 1 2 296.411 1.292 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOC2(CCOCC2)C1 ZINC000135650080 375723550 /nfs/dbraw/zinc/72/35/50/375723550.db2.gz OWJFIYCOHXEURY-UHFFFAOYSA-N 1 2 296.411 1.292 20 30 CDEDLO N#CCCC[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000055257956 375777151 /nfs/dbraw/zinc/77/71/51/375777151.db2.gz TUAPVLIRALYQPI-UHFFFAOYSA-N 1 2 286.379 1.546 20 30 CDEDLO Cc1ccn(Cc2[nH+]cc(Cl)n2C)c(=O)c1C#N ZINC000163841692 375794086 /nfs/dbraw/zinc/79/40/86/375794086.db2.gz USIPIJLCDIRRPJ-UHFFFAOYSA-N 1 2 262.700 1.464 20 30 CDEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC[C@@H]1CO ZINC000328623544 375900154 /nfs/dbraw/zinc/90/01/54/375900154.db2.gz YZEOIERHLSFGOJ-NWDGAFQWSA-N 1 2 278.356 1.131 20 30 CDEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)C1 ZINC000328748912 375943607 /nfs/dbraw/zinc/94/36/07/375943607.db2.gz BJPFUHJFHJDVGU-MXWKQRLJSA-N 1 2 261.329 1.382 20 30 CDEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)C1 ZINC000328748912 375943614 /nfs/dbraw/zinc/94/36/14/375943614.db2.gz BJPFUHJFHJDVGU-MXWKQRLJSA-N 1 2 261.329 1.382 20 30 CDEDLO C[C@H](CNC(=O)CCc1c[nH+]cn1C)N1CCCCC1=O ZINC000328868161 375994833 /nfs/dbraw/zinc/99/48/33/375994833.db2.gz XIAAAPNNMGPJGI-GFCCVEGCSA-N 1 2 292.383 1.710 20 30 CDEDLO C[C@H](C(=O)NC1CCCC1)[N@H+](C)[C@@H]1CCNC1=O ZINC000328883406 375999666 /nfs/dbraw/zinc/99/96/66/375999666.db2.gz MDOIKQWGMPJNFF-MWLCHTKSSA-N 1 2 253.346 1.935 20 30 CDEDLO C[C@H](C(=O)NC1CCCC1)[N@@H+](C)[C@@H]1CCNC1=O ZINC000328883406 375999675 /nfs/dbraw/zinc/99/96/75/375999675.db2.gz MDOIKQWGMPJNFF-MWLCHTKSSA-N 1 2 253.346 1.935 20 30 CDEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCNC1=O ZINC000328898434 376005720 /nfs/dbraw/zinc/00/57/20/376005720.db2.gz YCALPFRCTRCMNY-LLVKDONJSA-N 1 2 278.356 1.830 20 30 CDEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCNC1=O ZINC000328898434 376005724 /nfs/dbraw/zinc/00/57/24/376005724.db2.gz YCALPFRCTRCMNY-LLVKDONJSA-N 1 2 278.356 1.830 20 30 CDEDLO CC[C@@H]1C[NH+](CC(=O)N[C@](C)(C#N)C(C)C)C[C@@H](CC)O1 ZINC000420952221 376501053 /nfs/dbraw/zinc/50/10/53/376501053.db2.gz RVWZZLCCNANGPR-IIAWOOMASA-N 1 2 295.427 1.930 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)c1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000264194973 190095598 /nfs/dbraw/zinc/09/55/98/190095598.db2.gz CTAKXQOTTXMJFA-QWHCGFSZSA-N 1 2 287.363 1.397 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)N1CCc2ccccc21 ZINC000576646622 335230630 /nfs/dbraw/zinc/23/06/30/335230630.db2.gz FTWBIJGTMIXGNI-CYBMUJFWSA-N 1 2 257.337 1.858 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)COc1ccccc1F ZINC000247770809 377172029 /nfs/dbraw/zinc/17/20/29/377172029.db2.gz WAYCDFOMSLNBMU-NWDGAFQWSA-N 1 2 266.316 1.799 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)COc1ccccc1F ZINC000247770809 377172035 /nfs/dbraw/zinc/17/20/35/377172035.db2.gz WAYCDFOMSLNBMU-NWDGAFQWSA-N 1 2 266.316 1.799 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N(C)CCC#N ZINC000249855980 377481452 /nfs/dbraw/zinc/48/14/52/377481452.db2.gz DEGAZUKKAGLOOG-NWDGAFQWSA-N 1 2 250.346 1.229 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N(C)CCC#N ZINC000249855980 377481462 /nfs/dbraw/zinc/48/14/62/377481462.db2.gz DEGAZUKKAGLOOG-NWDGAFQWSA-N 1 2 250.346 1.229 20 30 CDEDLO C=CCNC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130966339 377642845 /nfs/dbraw/zinc/64/28/45/377642845.db2.gz VPKBEQDYJKSAJT-UHFFFAOYSA-N 1 2 289.335 1.861 20 30 CDEDLO C=CCNC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130966339 377642853 /nfs/dbraw/zinc/64/28/53/377642853.db2.gz VPKBEQDYJKSAJT-UHFFFAOYSA-N 1 2 289.335 1.861 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000572239831 377796769 /nfs/dbraw/zinc/79/67/69/377796769.db2.gz NJLCENUYJAYUIN-RYUDHWBXSA-N 1 2 295.383 1.030 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000572239831 377796771 /nfs/dbraw/zinc/79/67/71/377796771.db2.gz NJLCENUYJAYUIN-RYUDHWBXSA-N 1 2 295.383 1.030 20 30 CDEDLO CC(=O)N1CC[NH+](CCNc2ccc(C#N)cc2F)CC1 ZINC000069453495 378095765 /nfs/dbraw/zinc/09/57/65/378095765.db2.gz WSRZBRZRNJGJJP-UHFFFAOYSA-N 1 2 290.342 1.273 20 30 CDEDLO C#CCOc1ccc(C[N@@H+](C)CCS(=O)(=O)CC)cc1 ZINC000093643439 378104985 /nfs/dbraw/zinc/10/49/85/378104985.db2.gz MXJSFFUECQUVHN-UHFFFAOYSA-N 1 2 295.404 1.565 20 30 CDEDLO C#CCOc1ccc(C[N@H+](C)CCS(=O)(=O)CC)cc1 ZINC000093643439 378104990 /nfs/dbraw/zinc/10/49/90/378104990.db2.gz MXJSFFUECQUVHN-UHFFFAOYSA-N 1 2 295.404 1.565 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000192239029 378175709 /nfs/dbraw/zinc/17/57/09/378175709.db2.gz IGDGWRZISGZTFE-GFCCVEGCSA-N 1 2 260.337 1.977 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000192239029 378175715 /nfs/dbraw/zinc/17/57/15/378175715.db2.gz IGDGWRZISGZTFE-GFCCVEGCSA-N 1 2 260.337 1.977 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000192235103 378176059 /nfs/dbraw/zinc/17/60/59/378176059.db2.gz HADWRDINFKERBA-JTQLQIEISA-N 1 2 260.293 1.307 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000192235103 378176062 /nfs/dbraw/zinc/17/60/62/378176062.db2.gz HADWRDINFKERBA-JTQLQIEISA-N 1 2 260.293 1.307 20 30 CDEDLO C=CCNc1ncc(C(=O)N2CC[NH+](C(C)C)CC2)s1 ZINC000136140641 378314080 /nfs/dbraw/zinc/31/40/80/378314080.db2.gz ZBAKSEAWPDWRMB-UHFFFAOYSA-N 1 2 294.424 1.907 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1nnc(CCCC)s1 ZINC000293171928 378544364 /nfs/dbraw/zinc/54/43/64/378544364.db2.gz PHWOWQJOWGPXRA-UHFFFAOYSA-N 1 2 280.397 1.774 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1nnc(CCCC)s1 ZINC000293171928 378544369 /nfs/dbraw/zinc/54/43/69/378544369.db2.gz PHWOWQJOWGPXRA-UHFFFAOYSA-N 1 2 280.397 1.774 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000266904338 190289143 /nfs/dbraw/zinc/28/91/43/190289143.db2.gz HILSCUYNNBVREE-UHFFFAOYSA-N 1 2 276.336 1.597 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000266904338 190289144 /nfs/dbraw/zinc/28/91/44/190289144.db2.gz HILSCUYNNBVREE-UHFFFAOYSA-N 1 2 276.336 1.597 20 30 CDEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000042312971 379564049 /nfs/dbraw/zinc/56/40/49/379564049.db2.gz JEGVGZXCSULPSB-SWLSCSKDSA-N 1 2 287.363 1.996 20 30 CDEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000042312971 379564052 /nfs/dbraw/zinc/56/40/52/379564052.db2.gz JEGVGZXCSULPSB-SWLSCSKDSA-N 1 2 287.363 1.996 20 30 CDEDLO C#CC[N@@H+](CC)Cc1cnc(C2OCCO2)s1 ZINC000289439785 197347185 /nfs/dbraw/zinc/34/71/85/197347185.db2.gz WJMFLJXJUCMKFH-UHFFFAOYSA-N 1 2 252.339 1.644 20 30 CDEDLO C#CC[N@H+](CC)Cc1cnc(C2OCCO2)s1 ZINC000289439785 197347186 /nfs/dbraw/zinc/34/71/86/197347186.db2.gz WJMFLJXJUCMKFH-UHFFFAOYSA-N 1 2 252.339 1.644 20 30 CDEDLO C#CCN(CC#C)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000280882380 195013157 /nfs/dbraw/zinc/01/31/57/195013157.db2.gz GDAKKZYUTFKNCC-UHFFFAOYSA-N 1 2 268.307 1.059 20 30 CDEDLO CNc1ccc(C#N)cc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492880884 253316086 /nfs/dbraw/zinc/31/60/86/253316086.db2.gz NWXFKBLSZUCXJR-HYXAFXHYSA-N 1 2 267.292 1.975 20 30 CDEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000289243851 197273461 /nfs/dbraw/zinc/27/34/61/197273461.db2.gz ZVBQIWBTRVLBJT-KRWDZBQOSA-N 1 2 298.386 1.491 20 30 CDEDLO C#C[C@@H](NC(=O)C(=O)Nc1c[nH+]ccc1OC)C(C)(C)C ZINC000288538297 197106524 /nfs/dbraw/zinc/10/65/24/197106524.db2.gz XVDLNYJOJNXSSE-GFCCVEGCSA-N 1 2 289.335 1.193 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2scnc2C)C1=O ZINC000281347111 195205701 /nfs/dbraw/zinc/20/57/01/195205701.db2.gz TWBUHIGLWAFNAF-NSHDSACASA-N 1 2 265.382 1.670 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2scnc2C)C1=O ZINC000281347111 195205703 /nfs/dbraw/zinc/20/57/03/195205703.db2.gz TWBUHIGLWAFNAF-NSHDSACASA-N 1 2 265.382 1.670 20 30 CDEDLO C[N@H+](C[C@@H]1CCCCO1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000342635730 390178154 /nfs/dbraw/zinc/17/81/54/390178154.db2.gz QOWFDUAHYXGSLQ-LSDHHAIUSA-N 1 2 287.363 1.586 20 30 CDEDLO C[N@@H+](C[C@@H]1CCCCO1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000342635730 390178158 /nfs/dbraw/zinc/17/81/58/390178158.db2.gz QOWFDUAHYXGSLQ-LSDHHAIUSA-N 1 2 287.363 1.586 20 30 CDEDLO C=C(C)COCCNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000151490790 390442701 /nfs/dbraw/zinc/44/27/01/390442701.db2.gz VQYRFMHSANSQQD-UHFFFAOYSA-N 1 2 292.383 1.822 20 30 CDEDLO N#CC1CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000105142993 390503019 /nfs/dbraw/zinc/50/30/19/390503019.db2.gz BSXSEYILENHMJK-UHFFFAOYSA-N 1 2 287.367 1.829 20 30 CDEDLO Cn1cc([C@H]2CSCC[N@@H+]2Cc2ccc(C#N)cn2)cn1 ZINC000551059562 390543848 /nfs/dbraw/zinc/54/38/48/390543848.db2.gz KKONLRZBVUEDIY-OAHLLOKOSA-N 1 2 299.403 1.977 20 30 CDEDLO Cn1cc([C@H]2CSCC[N@H+]2Cc2ccc(C#N)cn2)cn1 ZINC000551059562 390543852 /nfs/dbraw/zinc/54/38/52/390543852.db2.gz KKONLRZBVUEDIY-OAHLLOKOSA-N 1 2 299.403 1.977 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159676326 390940874 /nfs/dbraw/zinc/94/08/74/390940874.db2.gz OFEUSRGMZZXZNU-QGZVFWFLSA-N 1 2 286.375 1.463 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159676326 390940875 /nfs/dbraw/zinc/94/08/75/390940875.db2.gz OFEUSRGMZZXZNU-QGZVFWFLSA-N 1 2 286.375 1.463 20 30 CDEDLO N#CCCCCS(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000121411988 390885821 /nfs/dbraw/zinc/88/58/21/390885821.db2.gz LFZLVFUZTCFBRS-GFCCVEGCSA-N 1 2 296.396 1.960 20 30 CDEDLO Cc1cc(NC[C@@H](C)c2nncn2C)c(C#N)c[nH+]1 ZINC000425254690 390898819 /nfs/dbraw/zinc/89/88/19/390898819.db2.gz MBFZEHAGYAOQQI-SECBINFHSA-N 1 2 256.313 1.028 20 30 CDEDLO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc(C#N)c(O)c1 ZINC000188343023 390956826 /nfs/dbraw/zinc/95/68/26/390956826.db2.gz MNOCLAGOVOAFDT-NSHDSACASA-N 1 2 298.346 1.835 20 30 CDEDLO C[C@@H]1OCC[C@@]1(C)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000329581126 391019609 /nfs/dbraw/zinc/01/96/09/391019609.db2.gz VABQWRUFMBRYDI-SWLSCSKDSA-N 1 2 299.415 1.168 20 30 CDEDLO C[C@@H]1OCC[C@@]1(C)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000329581126 391019613 /nfs/dbraw/zinc/01/96/13/391019613.db2.gz VABQWRUFMBRYDI-SWLSCSKDSA-N 1 2 299.415 1.168 20 30 CDEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H]1CCO ZINC000329609549 391029539 /nfs/dbraw/zinc/02/95/39/391029539.db2.gz JAYGEQBJTVVEJS-QWRGUYRKSA-N 1 2 278.356 1.028 20 30 CDEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H]1CCO ZINC000329609549 391029540 /nfs/dbraw/zinc/02/95/40/391029540.db2.gz JAYGEQBJTVVEJS-QWRGUYRKSA-N 1 2 278.356 1.028 20 30 CDEDLO Cc1cc(C)nc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000329538829 391008607 /nfs/dbraw/zinc/00/86/07/391008607.db2.gz VSJSJURZGIVZAH-QWHCGFSZSA-N 1 2 290.367 1.259 20 30 CDEDLO Cc1cc(C)nc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000329538829 391008611 /nfs/dbraw/zinc/00/86/11/391008611.db2.gz VSJSJURZGIVZAH-QWHCGFSZSA-N 1 2 290.367 1.259 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000295355627 391054689 /nfs/dbraw/zinc/05/46/89/391054689.db2.gz CCUAWSFXHLMQDC-NWDGAFQWSA-N 1 2 275.352 1.368 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCOC[C@H]1C)C(C)(C)C ZINC000491465752 391138650 /nfs/dbraw/zinc/13/86/50/391138650.db2.gz XXUNMMAJPWCUMG-OLZOCXBDSA-N 1 2 281.400 1.054 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1C)C(C)(C)C ZINC000491465752 391138651 /nfs/dbraw/zinc/13/86/51/391138651.db2.gz XXUNMMAJPWCUMG-OLZOCXBDSA-N 1 2 281.400 1.054 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)COc1ccccc1F ZINC000177501967 391170286 /nfs/dbraw/zinc/17/02/86/391170286.db2.gz WAYCDFOMSLNBMU-NEPJUHHUSA-N 1 2 266.316 1.799 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)COc1ccccc1F ZINC000177501967 391170291 /nfs/dbraw/zinc/17/02/91/391170291.db2.gz WAYCDFOMSLNBMU-NEPJUHHUSA-N 1 2 266.316 1.799 20 30 CDEDLO N#CC1(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCC1 ZINC000265847065 391164024 /nfs/dbraw/zinc/16/40/24/391164024.db2.gz ARVZWFKIVMZYMP-OAHLLOKOSA-N 1 2 299.374 1.450 20 30 CDEDLO N#CC1(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC1 ZINC000265847065 391164027 /nfs/dbraw/zinc/16/40/27/391164027.db2.gz ARVZWFKIVMZYMP-OAHLLOKOSA-N 1 2 299.374 1.450 20 30 CDEDLO C=CCOCC[N@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000338905672 391232679 /nfs/dbraw/zinc/23/26/79/391232679.db2.gz FLOSJKRULCKJON-AWEZNQCLSA-N 1 2 260.337 1.101 20 30 CDEDLO C=CCOCC[N@@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000338905672 391232681 /nfs/dbraw/zinc/23/26/81/391232681.db2.gz FLOSJKRULCKJON-AWEZNQCLSA-N 1 2 260.337 1.101 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nccs1 ZINC000269344806 391247100 /nfs/dbraw/zinc/24/71/00/391247100.db2.gz HRBNUMHUIJJWTM-UHFFFAOYSA-N 1 2 280.397 1.191 20 30 CDEDLO N#CCCCCS(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000268192543 391212700 /nfs/dbraw/zinc/21/27/00/391212700.db2.gz FFBOTHPOVKEWQH-UHFFFAOYSA-N 1 2 296.396 1.613 20 30 CDEDLO Cc1nnc(CO[NH+]=C(N)[C@@H](C)OCC(C)C)s1 ZINC000271599178 391297571 /nfs/dbraw/zinc/29/75/71/391297571.db2.gz ZLQPCKRKHKZJQO-MRVPVSSYSA-N 1 2 272.374 1.696 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCC(C)(C)[NH+]1CCOCC1)OCC ZINC000339432552 391300069 /nfs/dbraw/zinc/30/00/69/391300069.db2.gz GROUIYNNUYLYGV-AWEZNQCLSA-N 1 2 298.427 1.585 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)CCC1 ZINC000346970494 391378502 /nfs/dbraw/zinc/37/85/02/391378502.db2.gz GKDQDGVSDAFIQD-CYBMUJFWSA-N 1 2 272.352 1.714 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc[nH]2)CCC1 ZINC000346970494 391378504 /nfs/dbraw/zinc/37/85/04/391378504.db2.gz GKDQDGVSDAFIQD-CYBMUJFWSA-N 1 2 272.352 1.714 20 30 CDEDLO COC(=O)c1cc(C[NH+]2CCC(F)(C#N)CC2)cn1C ZINC000348701167 391450524 /nfs/dbraw/zinc/45/05/24/391450524.db2.gz CGCNLHRUVLMAMP-UHFFFAOYSA-N 1 2 279.315 1.639 20 30 CDEDLO N#CCNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000339922298 391456355 /nfs/dbraw/zinc/45/63/55/391456355.db2.gz HDBPZXYRUKTQCM-UHFFFAOYSA-N 1 2 297.318 1.165 20 30 CDEDLO C=CC[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000335312690 391414844 /nfs/dbraw/zinc/41/48/44/391414844.db2.gz BFKJMUUUYMVJNY-XHDPSFHLSA-N 1 2 253.305 1.518 20 30 CDEDLO C=CC[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000335312690 391414850 /nfs/dbraw/zinc/41/48/50/391414850.db2.gz BFKJMUUUYMVJNY-XHDPSFHLSA-N 1 2 253.305 1.518 20 30 CDEDLO C=CCOCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000354319566 391415019 /nfs/dbraw/zinc/41/50/19/391415019.db2.gz PLKWBAGDGORZBA-UHFFFAOYSA-N 1 2 264.325 1.126 20 30 CDEDLO C=C(CC)C[N@H+](CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000358878905 391566342 /nfs/dbraw/zinc/56/63/42/391566342.db2.gz VSNIVKWXVCRZRC-LBPRGKRZSA-N 1 2 261.387 1.088 20 30 CDEDLO C=C(CC)C[N@@H+](CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000358878905 391566346 /nfs/dbraw/zinc/56/63/46/391566346.db2.gz VSNIVKWXVCRZRC-LBPRGKRZSA-N 1 2 261.387 1.088 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000349614745 391566665 /nfs/dbraw/zinc/56/66/65/391566665.db2.gz SQRBVULBFLGTIZ-HIFRSBDPSA-N 1 2 281.400 1.399 20 30 CDEDLO C[N@H+](CC(N)=O)Cc1ccc(C#N)cc1OC(F)F ZINC000437405933 391652616 /nfs/dbraw/zinc/65/26/16/391652616.db2.gz FHFSWAPFNCLUIZ-UHFFFAOYSA-N 1 2 269.251 1.077 20 30 CDEDLO C[N@@H+](CC(N)=O)Cc1ccc(C#N)cc1OC(F)F ZINC000437405933 391652619 /nfs/dbraw/zinc/65/26/19/391652619.db2.gz FHFSWAPFNCLUIZ-UHFFFAOYSA-N 1 2 269.251 1.077 20 30 CDEDLO C[C@H](Nc1nccc(C#N)c1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000342006099 130194204 /nfs/dbraw/zinc/19/42/04/130194204.db2.gz KOTHYJCBFUBPLH-QWRGUYRKSA-N 1 2 294.786 1.550 20 30 CDEDLO CC[C@H](NC(=O)C1CN(C(C)=O)C1)c1[nH]cc[nH+]1 ZINC000329926238 391800881 /nfs/dbraw/zinc/80/08/81/391800881.db2.gz KLTLCDMHSOIUQB-JTQLQIEISA-N 1 2 250.302 1.296 20 30 CDEDLO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1(S(C)(=O)=O)CC1 ZINC000329977619 391807849 /nfs/dbraw/zinc/80/78/49/391807849.db2.gz GHSPATXOCLELAO-KOLCDFICSA-N 1 2 286.397 1.003 20 30 CDEDLO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1(S(C)(=O)=O)CC1 ZINC000329977619 391807853 /nfs/dbraw/zinc/80/78/53/391807853.db2.gz GHSPATXOCLELAO-KOLCDFICSA-N 1 2 286.397 1.003 20 30 CDEDLO N#CCCN(Cc1ccco1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000372170342 391840294 /nfs/dbraw/zinc/84/02/94/391840294.db2.gz QUQFRWSZJCFLFK-ZDUSSCGKSA-N 1 2 298.346 1.981 20 30 CDEDLO CC(C)(C)[C@@H](C#N)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000335965690 391840630 /nfs/dbraw/zinc/84/06/30/391840630.db2.gz BBPLZPNDFMQRKS-ZYHUDNBSSA-N 1 2 260.341 1.500 20 30 CDEDLO N#Cc1cc(F)c(C(=O)NCCCn2cc[nH+]c2)c(F)c1 ZINC000132996384 391909459 /nfs/dbraw/zinc/90/94/59/391909459.db2.gz RWUXGYBKCIOUQJ-UHFFFAOYSA-N 1 2 290.273 1.853 20 30 CDEDLO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(C#N)cn3)C2)n[nH]1 ZINC000519858881 392850731 /nfs/dbraw/zinc/85/07/31/392850731.db2.gz UPKYGWBQRKOMCH-ZDUSSCGKSA-N 1 2 282.351 1.759 20 30 CDEDLO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(C#N)cn3)C2)n[nH]1 ZINC000519858881 392850736 /nfs/dbraw/zinc/85/07/36/392850736.db2.gz UPKYGWBQRKOMCH-ZDUSSCGKSA-N 1 2 282.351 1.759 20 30 CDEDLO COCCOC[C@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425223691 392997394 /nfs/dbraw/zinc/99/73/94/392997394.db2.gz CMNXNAYWUCOEHQ-ZDUSSCGKSA-N 1 2 275.352 1.751 20 30 CDEDLO Cc1cc(NCCCc2nnc3n2CCCC3)c(C#N)c[nH+]1 ZINC000425248024 393003776 /nfs/dbraw/zinc/00/37/76/393003776.db2.gz QBKIFFZVMMNWBX-UHFFFAOYSA-N 1 2 296.378 1.656 20 30 CDEDLO Cc1nc(NCCc2cn3ccccc3[nH+]2)ccc1C#N ZINC000487913715 393327099 /nfs/dbraw/zinc/32/70/99/393327099.db2.gz SWARCSQGGUMCHQ-UHFFFAOYSA-N 1 2 277.331 1.986 20 30 CDEDLO C=CCCOCc1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000679420676 483362868 /nfs/dbraw/zinc/36/28/68/483362868.db2.gz RQCZTVJWIXTXFS-LBPRGKRZSA-N 1 2 281.356 1.944 20 30 CDEDLO C=CCCOCc1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000679420676 483362871 /nfs/dbraw/zinc/36/28/71/483362871.db2.gz RQCZTVJWIXTXFS-LBPRGKRZSA-N 1 2 281.356 1.944 20 30 CDEDLO CO[C@H](C)C[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000312855286 149239488 /nfs/dbraw/zinc/23/94/88/149239488.db2.gz YNPNBHQLTJCRCW-GFCCVEGCSA-N 1 2 296.392 1.299 20 30 CDEDLO CO[C@H](C)C[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000312855286 149239491 /nfs/dbraw/zinc/23/94/91/149239491.db2.gz YNPNBHQLTJCRCW-GFCCVEGCSA-N 1 2 296.392 1.299 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000352668258 155341809 /nfs/dbraw/zinc/34/18/09/155341809.db2.gz QPQWVHUZSYBFME-ZDUSSCGKSA-N 1 2 273.336 1.229 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352668258 155341812 /nfs/dbraw/zinc/34/18/12/155341812.db2.gz QPQWVHUZSYBFME-ZDUSSCGKSA-N 1 2 273.336 1.229 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(F)c(C#N)c1 ZINC000349899839 154263120 /nfs/dbraw/zinc/26/31/20/154263120.db2.gz YUPRYCYZIFAKIU-SNVBAGLBSA-N 1 2 272.283 1.712 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1nncn1C ZINC000358794038 158029882 /nfs/dbraw/zinc/02/98/82/158029882.db2.gz YCWARQLGFXULCG-MNOVXSKESA-N 1 2 298.350 1.365 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000362978978 159282431 /nfs/dbraw/zinc/28/24/31/159282431.db2.gz GLOMGYFXGJOUND-UHFFFAOYSA-N 1 2 298.371 1.977 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020464090 171209263 /nfs/dbraw/zinc/20/92/63/171209263.db2.gz HYCOTXOUVVVYCN-UHFFFAOYSA-N 1 2 275.308 1.539 20 30 CDEDLO C=CC[N@H+](Cc1nnc(C2CC2)o1)[C@@H](C)COC ZINC000661244556 413915305 /nfs/dbraw/zinc/91/53/05/413915305.db2.gz VAYNYMBSDGVEEZ-JTQLQIEISA-N 1 2 251.330 1.970 20 30 CDEDLO C=CC[N@@H+](Cc1nnc(C2CC2)o1)[C@@H](C)COC ZINC000661244556 413915315 /nfs/dbraw/zinc/91/53/15/413915315.db2.gz VAYNYMBSDGVEEZ-JTQLQIEISA-N 1 2 251.330 1.970 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2c(C)nn(CC)c2C)nn1 ZINC000657345622 414192332 /nfs/dbraw/zinc/19/23/32/414192332.db2.gz VWJXJRCYAITSGB-UHFFFAOYSA-N 1 2 288.399 1.977 20 30 CDEDLO C#CC[NH+]1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000077022970 177153597 /nfs/dbraw/zinc/15/35/97/177153597.db2.gz ZJQAWFNPHGJEGN-ZDUSSCGKSA-N 1 2 289.354 1.404 20 30 CDEDLO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ccc(C#N)cc1F ZINC000078543775 177352288 /nfs/dbraw/zinc/35/22/88/177352288.db2.gz INZQJQUOJFUJOU-LBPRGKRZSA-N 1 2 276.359 1.745 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000575165712 335074342 /nfs/dbraw/zinc/07/43/42/335074342.db2.gz FNSNEOFGXMYERS-FZMZJTMJSA-N 1 2 263.341 1.060 20 30 CDEDLO O=C(NC[C@@H]1CCCO1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000330081569 228034371 /nfs/dbraw/zinc/03/43/71/228034371.db2.gz KAPIBAUSEHHRCW-KBPBESRZSA-N 1 2 282.384 1.765 20 30 CDEDLO O=C(NC[C@@H]1CCCO1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000330081569 228034374 /nfs/dbraw/zinc/03/43/74/228034374.db2.gz KAPIBAUSEHHRCW-KBPBESRZSA-N 1 2 282.384 1.765 20 30 CDEDLO Cc1[nH+]ccn1CC[NH+]=C([O-])N1CC2(C1)CCOCC2 ZINC000330183785 228058803 /nfs/dbraw/zinc/05/88/03/228058803.db2.gz IDRPKJBDWSPSCG-UHFFFAOYSA-N 1 2 278.356 1.218 20 30 CDEDLO [O-]C(NCC1CC(F)(F)C1)=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000330212522 228068104 /nfs/dbraw/zinc/06/81/04/228068104.db2.gz KHYXGCOOKSAWFB-VIFPVBQESA-N 1 2 284.310 1.816 20 30 CDEDLO [O-]C(NCC1CC(F)(F)C1)=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000330212522 228068107 /nfs/dbraw/zinc/06/81/07/228068107.db2.gz KHYXGCOOKSAWFB-VIFPVBQESA-N 1 2 284.310 1.816 20 30 CDEDLO Cc1[nH+]c2ccccn2c1CN1CCOC[C@@H]1C#N ZINC000353702145 228146246 /nfs/dbraw/zinc/14/62/46/228146246.db2.gz IIHMTQMKPCULAY-LBPRGKRZSA-N 1 2 256.309 1.367 20 30 CDEDLO Cc1csc2nc(C[NH2+][C@@H]3CCC[C@@H]3C#N)cc(=O)n12 ZINC000332207600 228152238 /nfs/dbraw/zinc/15/22/38/228152238.db2.gz HVBHGLFVIILBAH-ZYHUDNBSSA-N 1 2 288.376 1.846 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)CC(C)(C)C#N)C1 ZINC000332410061 228158993 /nfs/dbraw/zinc/15/89/93/228158993.db2.gz ZVMBBYSFXPZCNX-NSHDSACASA-N 1 2 260.341 1.676 20 30 CDEDLO Cc1nnc([C@H](C)O[NH+]=C(N)Cc2csc(C)n2)o1 ZINC000072920194 260279361 /nfs/dbraw/zinc/27/93/61/260279361.db2.gz GSRALVOMOZCYMV-LURJTMIESA-N 1 2 281.341 1.735 20 30 CDEDLO Cc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)CCO)cc1C ZINC000121421874 260710631 /nfs/dbraw/zinc/71/06/31/260710631.db2.gz GWNPESNZGURUTF-NSHDSACASA-N 1 2 279.340 1.302 20 30 CDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCC#N ZINC000155634583 261105323 /nfs/dbraw/zinc/10/53/23/261105323.db2.gz MYTSVANVEAALSX-LBPRGKRZSA-N 1 2 270.340 1.163 20 30 CDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCC#N ZINC000155634583 261105325 /nfs/dbraw/zinc/10/53/25/261105325.db2.gz MYTSVANVEAALSX-LBPRGKRZSA-N 1 2 270.340 1.163 20 30 CDEDLO C#CCNC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000490933549 261252593 /nfs/dbraw/zinc/25/25/93/261252593.db2.gz DPMCGGRMNYVXLC-UHFFFAOYSA-N 1 2 279.343 1.586 20 30 CDEDLO C#CCNC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000490933549 261252595 /nfs/dbraw/zinc/25/25/95/261252595.db2.gz DPMCGGRMNYVXLC-UHFFFAOYSA-N 1 2 279.343 1.586 20 30 CDEDLO CC#CCCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000361640591 261363262 /nfs/dbraw/zinc/36/32/62/261363262.db2.gz VBYOUFFUFHSJSK-GFCCVEGCSA-N 1 2 260.341 1.712 20 30 CDEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CC2OCCO2)CC1 ZINC000182668708 261946980 /nfs/dbraw/zinc/94/69/80/261946980.db2.gz LBKYNLBUXPNMAG-OAHLLOKOSA-N 1 2 287.363 1.242 20 30 CDEDLO N#CCC[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000365637620 262376673 /nfs/dbraw/zinc/37/66/73/262376673.db2.gz SKJVKPMMHQEIDD-UHFFFAOYSA-N 1 2 271.320 1.915 20 30 CDEDLO N#CCC[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000365637620 262376674 /nfs/dbraw/zinc/37/66/74/262376674.db2.gz SKJVKPMMHQEIDD-UHFFFAOYSA-N 1 2 271.320 1.915 20 30 CDEDLO N#C[C@@H]1CN(Cc2c[nH+]c3ccc(Cl)cn23)CCO1 ZINC000271176488 262994171 /nfs/dbraw/zinc/99/41/71/262994171.db2.gz UNSBYYSQRCBTCB-GFCCVEGCSA-N 1 2 276.727 1.712 20 30 CDEDLO C[C@H](C(=O)Nc1ncccn1)[NH+]1CCC(C)(C#N)CC1 ZINC000272495883 263005454 /nfs/dbraw/zinc/00/54/54/263005454.db2.gz CWVPFGMNPOFHTI-LLVKDONJSA-N 1 2 273.340 1.429 20 30 CDEDLO CCc1cc(N)nc(S[C@H](C)C(=O)N(C)CCC#N)[nH+]1 ZINC000279136036 263053197 /nfs/dbraw/zinc/05/31/97/263053197.db2.gz XHQIQRFRSYOTGM-SECBINFHSA-N 1 2 293.396 1.474 20 30 CDEDLO Cc1cccc(NC(=O)CO[NH+]=C(N)[C@@H]2CCCO2)c1C ZINC000283764239 263084095 /nfs/dbraw/zinc/08/40/95/263084095.db2.gz BHVJKQOLJCEKFX-ZDUSSCGKSA-N 1 2 291.351 1.710 20 30 CDEDLO NC(=[NH+]OCc1cccc2nsnc21)[C@H]1CCCO1 ZINC000283761786 263084169 /nfs/dbraw/zinc/08/41/69/263084169.db2.gz AZOPVLPIAXVHOX-SNVBAGLBSA-N 1 2 278.337 1.659 20 30 CDEDLO Cc1nsc(N2CC[NH+](CCCC#N)CC2)c1C#N ZINC000289400157 263109957 /nfs/dbraw/zinc/10/99/57/263109957.db2.gz FPKNKSYMORLXDX-UHFFFAOYSA-N 1 2 275.381 1.749 20 30 CDEDLO C[N@H+](Cc1ncnn1CC(F)F)[C@H]1CC[C@H](C#N)C1 ZINC000294287708 263159073 /nfs/dbraw/zinc/15/90/73/263159073.db2.gz WHWQRIWSKYRQJH-UWVGGRQHSA-N 1 2 269.299 1.667 20 30 CDEDLO C[N@@H+](Cc1ncnn1CC(F)F)[C@H]1CC[C@H](C#N)C1 ZINC000294287708 263159074 /nfs/dbraw/zinc/15/90/74/263159074.db2.gz WHWQRIWSKYRQJH-UWVGGRQHSA-N 1 2 269.299 1.667 20 30 CDEDLO CC(C)C(=O)NCC/[NH+]=C/c1cccc(O)c1O ZINC000299264036 263236838 /nfs/dbraw/zinc/23/68/38/263236838.db2.gz HUJGXNIONRPRQC-RIYZIHGNSA-N 1 2 250.298 1.289 20 30 CDEDLO COC(=O)COc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000341307122 263332932 /nfs/dbraw/zinc/33/29/32/263332932.db2.gz KAEYPVBQQKNMLJ-LBPRGKRZSA-N 1 2 276.336 1.972 20 30 CDEDLO COC(=O)COc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000341307122 263332934 /nfs/dbraw/zinc/33/29/34/263332934.db2.gz KAEYPVBQQKNMLJ-LBPRGKRZSA-N 1 2 276.336 1.972 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCn2cc[nH+]c2C1 ZINC000330775557 264034969 /nfs/dbraw/zinc/03/49/69/264034969.db2.gz HQSFEXWDYQLQDC-IUODEOHRSA-N 1 2 289.383 1.142 20 30 CDEDLO Cc1nc(C)c(C(=O)NCC[N@H+]2CCOC[C@H]2C)nc1C ZINC000330910941 264075389 /nfs/dbraw/zinc/07/53/89/264075389.db2.gz FXNYHOMGNHPGFX-SNVBAGLBSA-N 1 2 292.383 1.427 20 30 CDEDLO Cc1nc(C)c(C(=O)NCC[N@@H+]2CCOC[C@H]2C)nc1C ZINC000330910941 264075390 /nfs/dbraw/zinc/07/53/90/264075390.db2.gz FXNYHOMGNHPGFX-SNVBAGLBSA-N 1 2 292.383 1.427 20 30 CDEDLO CC(=O)c1ccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1O ZINC000331324840 264190299 /nfs/dbraw/zinc/19/02/99/264190299.db2.gz FYBGZLMBLGOSCC-LBPRGKRZSA-N 1 2 292.335 1.230 20 30 CDEDLO CC(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1O ZINC000331324840 264190300 /nfs/dbraw/zinc/19/03/00/264190300.db2.gz FYBGZLMBLGOSCC-LBPRGKRZSA-N 1 2 292.335 1.230 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000189141986 264272942 /nfs/dbraw/zinc/27/29/42/264272942.db2.gz YOXSMHZMFGFTBY-JTQLQIEISA-N 1 2 288.351 1.645 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N(CC)CCC#N)C[C@@H](C)O1 ZINC000252443419 264301073 /nfs/dbraw/zinc/30/10/73/264301073.db2.gz SDOILXFHXYLFGI-CHWSQXEVSA-N 1 2 267.373 1.248 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)CCC#N)C[C@@H](C)O1 ZINC000252443419 264301074 /nfs/dbraw/zinc/30/10/74/264301074.db2.gz SDOILXFHXYLFGI-CHWSQXEVSA-N 1 2 267.373 1.248 20 30 CDEDLO C=C[C@H](C)Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000129254007 264320684 /nfs/dbraw/zinc/32/06/84/264320684.db2.gz LZMPJXHQJNGYRG-RYUDHWBXSA-N 1 2 262.357 1.672 20 30 CDEDLO C=C[C@H](C)Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000129254007 264320686 /nfs/dbraw/zinc/32/06/86/264320686.db2.gz LZMPJXHQJNGYRG-RYUDHWBXSA-N 1 2 262.357 1.672 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)nn1 ZINC000653650140 424391822 /nfs/dbraw/zinc/39/18/22/424391822.db2.gz OZTURBXGIJUMLI-GFCCVEGCSA-N 1 2 250.346 1.057 20 30 CDEDLO C=CCCn1cc(C[N@H+]2C[C@@H](O)C(C)(C)C2)nn1 ZINC000653650140 424391825 /nfs/dbraw/zinc/39/18/25/424391825.db2.gz OZTURBXGIJUMLI-GFCCVEGCSA-N 1 2 250.346 1.057 20 30 CDEDLO CC[C@@H](C)NC(=O)CCNc1cc(C)[nH+]cc1C#N ZINC000399453540 266359314 /nfs/dbraw/zinc/35/93/14/266359314.db2.gz PFJFFZKYEPSOGF-SNVBAGLBSA-N 1 2 260.341 1.400 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H]1CCC[C@H]1C1CC1)C(=O)OC ZINC000361111234 266786797 /nfs/dbraw/zinc/78/67/97/266786797.db2.gz RZJBGSNTUPQUMO-IHRRRGAJSA-N 1 2 267.369 1.899 20 30 CDEDLO CC(C)[C@H](O)C[N@@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000368394803 267168047 /nfs/dbraw/zinc/16/80/47/267168047.db2.gz XBTGGERBPMPKTI-KFWWJZLASA-N 1 2 266.385 1.931 20 30 CDEDLO CC(C)[C@H](O)C[N@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000368394803 267168050 /nfs/dbraw/zinc/16/80/50/267168050.db2.gz XBTGGERBPMPKTI-KFWWJZLASA-N 1 2 266.385 1.931 20 30 CDEDLO N#CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1CCCC1 ZINC000376936814 268031695 /nfs/dbraw/zinc/03/16/95/268031695.db2.gz GGVONVCJEQZFCU-LBPRGKRZSA-N 1 2 272.352 1.740 20 30 CDEDLO CCN1CC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CC1=O ZINC000335673679 279365959 /nfs/dbraw/zinc/36/59/59/279365959.db2.gz SSXCCGFBAHXQBD-LBPRGKRZSA-N 1 2 257.337 1.783 20 30 CDEDLO CCN1CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)CC1=O ZINC000335673679 279365961 /nfs/dbraw/zinc/36/59/61/279365961.db2.gz SSXCCGFBAHXQBD-LBPRGKRZSA-N 1 2 257.337 1.783 20 30 CDEDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000113003897 280002177 /nfs/dbraw/zinc/00/21/77/280002177.db2.gz LEDUVFMLFSAHMZ-LBPRGKRZSA-N 1 2 280.393 1.813 20 30 CDEDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000113003897 280002178 /nfs/dbraw/zinc/00/21/78/280002178.db2.gz LEDUVFMLFSAHMZ-LBPRGKRZSA-N 1 2 280.393 1.813 20 30 CDEDLO CC(C)[C@H](C(=O)Nc1ncn(C)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000329347444 280189766 /nfs/dbraw/zinc/18/97/66/280189766.db2.gz DGVMAPZKGSWTIY-GRYCIOLGSA-N 1 2 295.387 1.537 20 30 CDEDLO CC(C)[C@H](C(=O)Nc1ncn(C)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000329347444 280189770 /nfs/dbraw/zinc/18/97/70/280189770.db2.gz DGVMAPZKGSWTIY-GRYCIOLGSA-N 1 2 295.387 1.537 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H]1CCOC1 ZINC000246305307 280271096 /nfs/dbraw/zinc/27/10/96/280271096.db2.gz CBGUFRDSMXNMQL-DZGCQCFKSA-N 1 2 288.347 1.741 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCOC1 ZINC000246305307 280271100 /nfs/dbraw/zinc/27/11/00/280271100.db2.gz CBGUFRDSMXNMQL-DZGCQCFKSA-N 1 2 288.347 1.741 20 30 CDEDLO CN(C)C(=O)c1ccc(C[N@H+](C)CC(C)(C)C#N)[nH]1 ZINC000354019499 289029826 /nfs/dbraw/zinc/02/98/26/289029826.db2.gz ZAFPUFUMSJWWHU-UHFFFAOYSA-N 1 2 262.357 1.698 20 30 CDEDLO CN(C)C(=O)c1ccc(C[N@@H+](C)CC(C)(C)C#N)[nH]1 ZINC000354019499 289029828 /nfs/dbraw/zinc/02/98/28/289029828.db2.gz ZAFPUFUMSJWWHU-UHFFFAOYSA-N 1 2 262.357 1.698 20 30 CDEDLO Cc1cc(C#N)nc(N[C@@H](c2[nH+]ccn2C)C2CC2)n1 ZINC000553604375 290129509 /nfs/dbraw/zinc/12/95/09/290129509.db2.gz SZYUFXIFTVIDPC-GFCCVEGCSA-N 1 2 268.324 1.953 20 30 CDEDLO COc1cc[nH+]cc1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000554699670 290188892 /nfs/dbraw/zinc/18/88/92/290188892.db2.gz KGRQRAGXJAQZMS-UHFFFAOYSA-N 1 2 281.315 1.661 20 30 CDEDLO Cc1nc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c(C)o1 ZINC000329081602 293148185 /nfs/dbraw/zinc/14/81/85/293148185.db2.gz RTGFMVMFLSBFSR-JTQLQIEISA-N 1 2 260.297 1.808 20 30 CDEDLO C[C@@H](c1nccc(N)n1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000570269906 294205454 /nfs/dbraw/zinc/20/54/54/294205454.db2.gz LOBJJQVCUBAAET-NSHDSACASA-N 1 2 267.336 1.954 20 30 CDEDLO C[C@@H](c1nccc(N)n1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000570269906 294205456 /nfs/dbraw/zinc/20/54/56/294205456.db2.gz LOBJJQVCUBAAET-NSHDSACASA-N 1 2 267.336 1.954 20 30 CDEDLO CCc1nn(CCCc2c[nH+]cn2C)c(=O)c(C#N)c1CC ZINC000572781391 294691575 /nfs/dbraw/zinc/69/15/75/294691575.db2.gz NERQATKPMZSUBB-UHFFFAOYSA-N 1 2 299.378 1.606 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000345808512 298135502 /nfs/dbraw/zinc/13/55/02/298135502.db2.gz IHPAVEGFWLEKGJ-VXGBXAGGSA-N 1 2 279.384 1.437 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000345808512 298135505 /nfs/dbraw/zinc/13/55/05/298135505.db2.gz IHPAVEGFWLEKGJ-VXGBXAGGSA-N 1 2 279.384 1.437 20 30 CDEDLO N#Cc1ccc(N2CCCC[C@H]2c2[nH]cc[nH+]2)nn1 ZINC000301967547 303192972 /nfs/dbraw/zinc/19/29/72/303192972.db2.gz OWABCVQCKBJLJU-NSHDSACASA-N 1 2 254.297 1.803 20 30 CDEDLO COCCOCCO[NH+]=C(N)COc1ccccc1F ZINC000186870669 327855020 /nfs/dbraw/zinc/85/50/20/327855020.db2.gz VSYKMXFLZNXAAK-UHFFFAOYSA-N 1 2 286.303 1.156 20 30 CDEDLO Cc1ccc(Cc2noc([C@H](C)n3cnc(C#N)n3)n2)c[nH+]1 ZINC000350010326 316143470 /nfs/dbraw/zinc/14/34/70/316143470.db2.gz FQDANLIOJAFAPQ-JTQLQIEISA-N 1 2 295.306 1.436 20 30 CDEDLO CC1CC(C#N)(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000531563620 328018297 /nfs/dbraw/zinc/01/82/97/328018297.db2.gz ATGJHIOBSLPVDQ-UHFFFAOYSA-N 1 2 279.384 1.153 20 30 CDEDLO CC1CC(C#N)(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000531563620 328018298 /nfs/dbraw/zinc/01/82/98/328018298.db2.gz ATGJHIOBSLPVDQ-UHFFFAOYSA-N 1 2 279.384 1.153 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000339759791 328055026 /nfs/dbraw/zinc/05/50/26/328055026.db2.gz NZEWDTCFVPVCHK-CQSZACIVSA-N 1 2 272.348 1.582 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000339759791 328055027 /nfs/dbraw/zinc/05/50/27/328055027.db2.gz NZEWDTCFVPVCHK-CQSZACIVSA-N 1 2 272.348 1.582 20 30 CDEDLO CC(C)(CNC(=O)NCCCCC#N)[NH+]1CCOCC1 ZINC000171726526 329079380 /nfs/dbraw/zinc/07/93/80/329079380.db2.gz RKRVTQNTXDPNDZ-UHFFFAOYSA-N 1 2 282.388 1.090 20 30 CDEDLO C=C(CC)CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413606193 328149991 /nfs/dbraw/zinc/14/99/91/328149991.db2.gz KUQPMYKGBIDHRU-UHFFFAOYSA-N 1 2 269.389 1.363 20 30 CDEDLO Cc1ccn2cc(CNC(=O)N3CCO[C@@H](C#N)C3)[nH+]c2c1 ZINC000264340390 328158887 /nfs/dbraw/zinc/15/88/87/328158887.db2.gz CBERWOUSHFIRSL-ZDUSSCGKSA-N 1 2 299.334 1.077 20 30 CDEDLO N#CCN1CCC[C@H](CNC(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000267188836 328174821 /nfs/dbraw/zinc/17/48/21/328174821.db2.gz OWMYWILDJCLKNF-CYBMUJFWSA-N 1 2 297.362 1.300 20 30 CDEDLO Cc1cccc(OC[C@@H](O)C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000268357907 328184264 /nfs/dbraw/zinc/18/42/64/328184264.db2.gz GESIJCXBGCIBFF-KBPBESRZSA-N 1 2 262.353 1.969 20 30 CDEDLO Cc1cccc(OC[C@@H](O)C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000268357907 328184266 /nfs/dbraw/zinc/18/42/66/328184266.db2.gz GESIJCXBGCIBFF-KBPBESRZSA-N 1 2 262.353 1.969 20 30 CDEDLO N#CCCCNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000273020769 328202956 /nfs/dbraw/zinc/20/29/56/328202956.db2.gz AKYMBXDEQTUUIB-UHFFFAOYSA-N 1 2 287.367 1.213 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1ccnn1CCCOC ZINC000282807362 328243718 /nfs/dbraw/zinc/24/37/18/328243718.db2.gz NVYLAUHLIOFGOA-GFCCVEGCSA-N 1 2 250.346 1.701 20 30 CDEDLO NC(=[NH+]OCC[C@@H](O)c1ccccc1)[C@H]1CCCO1 ZINC000285038019 328246885 /nfs/dbraw/zinc/24/68/85/328246885.db2.gz FCFPVEZQBIRLGW-CHWSQXEVSA-N 1 2 264.325 1.578 20 30 CDEDLO Cc1cccc2[nH+]c(CNC(=O)CCCC#N)cn21 ZINC000291709411 328265998 /nfs/dbraw/zinc/26/59/98/328265998.db2.gz OJMQNHRAIGQLAW-UHFFFAOYSA-N 1 2 256.309 1.953 20 30 CDEDLO C[C@@H]([NH2+]CCC#N)C(=O)N1c2ccccc2C[C@H]1C ZINC000557360445 327003011 /nfs/dbraw/zinc/00/30/11/327003011.db2.gz UICBLDMEZCGITD-VXGBXAGGSA-N 1 2 257.337 1.856 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NC(=O)CC#N)c1ccccc1 ZINC000169812766 327539698 /nfs/dbraw/zinc/53/96/98/327539698.db2.gz CSERJYMLZYURPF-CYBMUJFWSA-N 1 2 254.293 1.539 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1ccc2c(c1)OCO2 ZINC000570643067 327608041 /nfs/dbraw/zinc/60/80/41/327608041.db2.gz LCTMGOLBRFOBPC-GFCCVEGCSA-N 1 2 289.335 1.313 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCOC2(CCCCC2)C1 ZINC000173849730 329152783 /nfs/dbraw/zinc/15/27/83/329152783.db2.gz SVGAUHWIKKFUJE-ZDUSSCGKSA-N 1 2 264.369 1.159 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCOC2(CCCCC2)C1 ZINC000173849730 329152785 /nfs/dbraw/zinc/15/27/85/329152785.db2.gz SVGAUHWIKKFUJE-ZDUSSCGKSA-N 1 2 264.369 1.159 20 30 CDEDLO CCCCCCCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178729455 329200212 /nfs/dbraw/zinc/20/02/12/329200212.db2.gz FMQJOXSERPSREU-AWEZNQCLSA-N 1 2 267.417 1.463 20 30 CDEDLO CCOC(=O)c1nn(C)cc1C[NH+]1CCC(C#N)CC1 ZINC000186201827 329339524 /nfs/dbraw/zinc/33/95/24/329339524.db2.gz WEJBMWOOPLGZOD-UHFFFAOYSA-N 1 2 276.340 1.332 20 30 CDEDLO C[C@@H]1CC[C@@H](CN(CCC#N)CC[NH+]2CCOCC2)O1 ZINC000190628319 329399849 /nfs/dbraw/zinc/39/98/49/329399849.db2.gz YQAWAKOEGKRWTF-CABCVRRESA-N 1 2 281.400 1.102 20 30 CDEDLO CC[C@H](C)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000190804481 329402832 /nfs/dbraw/zinc/40/28/32/329402832.db2.gz SNRRLFAIILCFDD-AWEZNQCLSA-N 1 2 281.400 1.497 20 30 CDEDLO N#CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000528332050 330319213 /nfs/dbraw/zinc/31/92/13/330319213.db2.gz WNMDXCJTCACZEA-ZDUSSCGKSA-N 1 2 277.755 1.944 20 30 CDEDLO N#CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000528332050 330319214 /nfs/dbraw/zinc/31/92/14/330319214.db2.gz WNMDXCJTCACZEA-ZDUSSCGKSA-N 1 2 277.755 1.944 20 30 CDEDLO C=CCn1cc(C[NH2+][C@H]2CCCc3c2cnn3C)nn1 ZINC000424295827 330335952 /nfs/dbraw/zinc/33/59/52/330335952.db2.gz NOCZJCVZSBDVAE-ZDUSSCGKSA-N 1 2 272.356 1.365 20 30 CDEDLO C=CCC[C@@H](CO)Nc1cc(NCCCC)[nH+]c(N)n1 ZINC000450906958 331006331 /nfs/dbraw/zinc/00/63/31/331006331.db2.gz FVVGQMNZWGTFOP-NSHDSACASA-N 1 2 279.388 1.262 20 30 CDEDLO C=CCC[C@@H](CO)Nc1cc(NCCCC)nc(N)[nH+]1 ZINC000450906958 331006332 /nfs/dbraw/zinc/00/63/32/331006332.db2.gz FVVGQMNZWGTFOP-NSHDSACASA-N 1 2 279.388 1.262 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000452921964 331080614 /nfs/dbraw/zinc/08/06/14/331080614.db2.gz BYAZMFLBKPCETL-CABCVRRESA-N 1 2 283.331 1.946 20 30 CDEDLO C=CC(C)(C)CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000458990266 331264575 /nfs/dbraw/zinc/26/45/75/331264575.db2.gz RCGJLSTZEVMJCF-UHFFFAOYSA-N 1 2 291.399 1.449 20 30 CDEDLO C=CCCCS(=O)(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000489900093 332072288 /nfs/dbraw/zinc/07/22/88/332072288.db2.gz NQVBAVXOHGIBOX-GFCCVEGCSA-N 1 2 283.397 1.757 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@@](C)(c2ccccc2C)C1=O ZINC000491288154 332182119 /nfs/dbraw/zinc/18/21/19/332182119.db2.gz QIBAJZPHKVIONJ-GUYCJALGSA-N 1 2 299.374 1.673 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccccc2C)C1=O ZINC000491288154 332182121 /nfs/dbraw/zinc/18/21/21/332182121.db2.gz QIBAJZPHKVIONJ-GUYCJALGSA-N 1 2 299.374 1.673 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000491513464 332226419 /nfs/dbraw/zinc/22/64/19/332226419.db2.gz CAUFNULPSCZGIK-ZFWWWQNUSA-N 1 2 272.348 1.961 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000491513464 332226420 /nfs/dbraw/zinc/22/64/20/332226420.db2.gz CAUFNULPSCZGIK-ZFWWWQNUSA-N 1 2 272.348 1.961 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000491546424 332235429 /nfs/dbraw/zinc/23/54/29/332235429.db2.gz VTGBGGKQOLUKHA-WBVHZDCISA-N 1 2 299.418 1.455 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1ccc(C(=O)OCC)cn1 ZINC000491640417 332260236 /nfs/dbraw/zinc/26/02/36/332260236.db2.gz YMYXPRAEXZWDIR-UHFFFAOYSA-N 1 2 270.332 1.717 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(C(=O)OCC)cn1 ZINC000491640417 332260237 /nfs/dbraw/zinc/26/02/37/332260237.db2.gz YMYXPRAEXZWDIR-UHFFFAOYSA-N 1 2 270.332 1.717 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(CC(C)C)CC(F)(F)F ZINC000491647107 332264099 /nfs/dbraw/zinc/26/40/99/332264099.db2.gz WMJFFZRSDYPGRT-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/28/34/60/332283460.db2.gz WVMZGIVRFKTBBB-ZDUSSCGKSA-N 1 2 274.368 1.957 20 30 CDEDLO C#C[C@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C(C)C ZINC000491679163 332283461 /nfs/dbraw/zinc/28/34/61/332283461.db2.gz WVMZGIVRFKTBBB-ZDUSSCGKSA-N 1 2 274.368 1.957 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000491702562 332296671 /nfs/dbraw/zinc/29/66/71/332296671.db2.gz RIKTVJOEWNXWJO-SECBINFHSA-N 1 2 288.273 1.609 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@@]2(C[C@H](C)C[C@H](C)C2)C1=O ZINC000491788317 332350619 /nfs/dbraw/zinc/35/06/19/332350619.db2.gz XOZWNROPDWJZLJ-OQMKEHIESA-N 1 2 291.395 1.644 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@@]2(C[C@H](C)C[C@H](C)C2)C1=O ZINC000491788317 332350620 /nfs/dbraw/zinc/35/06/20/332350620.db2.gz XOZWNROPDWJZLJ-OQMKEHIESA-N 1 2 291.395 1.644 20 30 CDEDLO CCc1ccc(/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C)o1 ZINC000493101451 332426264 /nfs/dbraw/zinc/42/62/64/332426264.db2.gz CNYWYWYRTROYHB-CDNLZTBQSA-N 1 2 275.352 1.815 20 30 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/nfs/dbraw/zinc/57/63/42/483576342.db2.gz BPXRSQRZNHTBIF-UHFFFAOYSA-N 1 2 291.395 1.947 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2nc(C)c(C)s2)[C@H](OC)C1 ZINC001082377042 1161576634 /nfs/dbraw/zinc/57/66/34/1161576634.db2.gz ZYXZNMHLAIDNCG-VXGBXAGGSA-N 1 2 295.408 1.375 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2nc(C)c(C)s2)[C@H](OC)C1 ZINC001082377042 1161576638 /nfs/dbraw/zinc/57/66/38/1161576638.db2.gz ZYXZNMHLAIDNCG-VXGBXAGGSA-N 1 2 295.408 1.375 20 30 CDEDLO C=CCCOCC(=O)N[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001108416200 1161992056 /nfs/dbraw/zinc/99/20/56/1161992056.db2.gz NRBHJLFVCDEYGZ-NSHDSACASA-N 1 2 278.356 1.294 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](OC)[C@H](C)CC)CC1 ZINC001113044211 1162082185 /nfs/dbraw/zinc/08/21/85/1162082185.db2.gz MZYDVIRWMVHOLN-HUUCEWRRSA-N 1 2 298.427 1.394 20 30 CDEDLO Cc1cc[nH+]c(C)c1NC(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000329250952 534386588 /nfs/dbraw/zinc/38/65/88/534386588.db2.gz UQQZJPRASXAVKG-RWMBFGLXSA-N 1 2 275.352 1.947 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)NC(=O)CC(C)(C)C)CC1 ZINC001113525556 1162206240 /nfs/dbraw/zinc/20/62/40/1162206240.db2.gz YAKNKSSMOODBQK-ZDUSSCGKSA-N 1 2 295.427 1.258 20 30 CDEDLO Cc1nnc([C@@H]2C[N@H+](Cc3ccc(CC#N)cc3)CCO2)[nH]1 ZINC000332382808 534585247 /nfs/dbraw/zinc/58/52/47/534585247.db2.gz XKIXUAVGLFQFHL-HNNXBMFYSA-N 1 2 297.362 1.753 20 30 CDEDLO Cc1nnc([C@@H]2C[N@@H+](Cc3ccc(CC#N)cc3)CCO2)[nH]1 ZINC000332382808 534585256 /nfs/dbraw/zinc/58/52/56/534585256.db2.gz XKIXUAVGLFQFHL-HNNXBMFYSA-N 1 2 297.362 1.753 20 30 CDEDLO COCC[C@H]1COCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000365836200 521992633 /nfs/dbraw/zinc/99/26/33/521992633.db2.gz HTHSACCXIANKMX-AWEZNQCLSA-N 1 2 278.327 1.935 20 30 CDEDLO COCC[C@H]1COCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000365836200 521992637 /nfs/dbraw/zinc/99/26/37/521992637.db2.gz HTHSACCXIANKMX-AWEZNQCLSA-N 1 2 278.327 1.935 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)CCO1 ZINC000340811637 523436411 /nfs/dbraw/zinc/43/64/11/523436411.db2.gz 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525934959 /nfs/dbraw/zinc/93/49/59/525934959.db2.gz WFUNVPXVQAPMJK-LLVKDONJSA-N 1 2 277.393 1.867 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCc2sccc2C1 ZINC000049332468 525934966 /nfs/dbraw/zinc/93/49/66/525934966.db2.gz WFUNVPXVQAPMJK-LLVKDONJSA-N 1 2 277.393 1.867 20 30 CDEDLO N#Cc1cccc(-n2ccc(C(=O)NCc3c[nH+]c[nH]3)n2)c1 ZINC000337007678 526695599 /nfs/dbraw/zinc/69/55/99/526695599.db2.gz CJDGCGQCICCHHL-UHFFFAOYSA-N 1 2 292.302 1.397 20 30 CDEDLO N#Cc1cccc(-n2ccc(C(=O)NCc3c[nH]c[nH+]3)n2)c1 ZINC000337007678 526695603 /nfs/dbraw/zinc/69/56/03/526695603.db2.gz CJDGCGQCICCHHL-UHFFFAOYSA-N 1 2 292.302 1.397 20 30 CDEDLO N#Cc1cscc1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000340366499 526784219 /nfs/dbraw/zinc/78/42/19/526784219.db2.gz QYCDDFCPYSJAEM-GFCCVEGCSA-N 1 2 291.376 1.213 20 30 CDEDLO N#Cc1cscc1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000340366499 526784222 /nfs/dbraw/zinc/78/42/22/526784222.db2.gz QYCDDFCPYSJAEM-GFCCVEGCSA-N 1 2 291.376 1.213 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000354412232 527547181 /nfs/dbraw/zinc/54/71/81/527547181.db2.gz WXHFLMWDPXSEKB-MRXNPFEDSA-N 1 2 285.347 1.816 20 30 CDEDLO CC1CCC(NC(=O)C[N@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC000329085537 528164789 /nfs/dbraw/zinc/16/47/89/528164789.db2.gz UKJPTGWRKGOQFP-BPCQOVAHSA-N 1 2 281.400 1.684 20 30 CDEDLO CC1CCC(NC(=O)C[N@@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC000329085537 528164798 /nfs/dbraw/zinc/16/47/98/528164798.db2.gz UKJPTGWRKGOQFP-BPCQOVAHSA-N 1 2 281.400 1.684 20 30 CDEDLO CCCNC(=O)C[N@H+](CCC)C[C@H](C#N)CCC#N ZINC000352790842 528384589 /nfs/dbraw/zinc/38/45/89/528384589.db2.gz WDPLRWGRSMNBKR-ZDUSSCGKSA-N 1 2 264.373 1.668 20 30 CDEDLO CCCNC(=O)C[N@@H+](CCC)C[C@H](C#N)CCC#N ZINC000352790842 528384590 /nfs/dbraw/zinc/38/45/90/528384590.db2.gz WDPLRWGRSMNBKR-ZDUSSCGKSA-N 1 2 264.373 1.668 20 30 CDEDLO CCCCOCCNC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352490898 528596575 /nfs/dbraw/zinc/59/65/75/528596575.db2.gz MMHGSZWEQFZIIE-UHFFFAOYSA-N 1 2 285.363 1.247 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/nfs/dbraw/zinc/54/04/24/575540424.db2.gz UOLNRLODIGQWQC-NSHDSACASA-N 1 2 286.339 1.479 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1ccccc1-c1nn[nH]n1 ZINC000735964027 575540426 /nfs/dbraw/zinc/54/04/26/575540426.db2.gz UOLNRLODIGQWQC-NSHDSACASA-N 1 2 286.339 1.479 20 30 CDEDLO NC(=O)CO[NH+]=Cc1c(Cl)cccc1N1CCCC1 ZINC000771574565 575592060 /nfs/dbraw/zinc/59/20/60/575592060.db2.gz JMHFIYRMAJUCAQ-UHFFFAOYSA-N 1 2 281.743 1.776 20 30 CDEDLO CC[N@H+](CCCNC(=O)C=NOC)c1ccccc1 ZINC000773734627 575836792 /nfs/dbraw/zinc/83/67/92/575836792.db2.gz UEQHZDRPCDOXHY-UHFFFAOYSA-N 1 2 263.341 1.651 20 30 CDEDLO CC[N@@H+](CCCNC(=O)C=NOC)c1ccccc1 ZINC000773734627 575836795 /nfs/dbraw/zinc/83/67/95/575836795.db2.gz UEQHZDRPCDOXHY-UHFFFAOYSA-N 1 2 263.341 1.651 20 30 CDEDLO O=S1(=O)C=C(NNc2[nH+]cnc3ccsc32)CCC1 ZINC000764836249 575951079 /nfs/dbraw/zinc/95/10/79/575951079.db2.gz XDIQDIZYWUPQTB-UHFFFAOYSA-N 1 2 296.377 1.668 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1n[nH]c2ccc(OC)cc21 ZINC000765259426 576002679 /nfs/dbraw/zinc/00/26/79/576002679.db2.gz ZKEVHTSRTBSMOX-AWEZNQCLSA-N 1 2 298.346 1.608 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1n[nH]c2ccc(OC)cc21 ZINC000765259426 576002681 /nfs/dbraw/zinc/00/26/81/576002681.db2.gz ZKEVHTSRTBSMOX-AWEZNQCLSA-N 1 2 298.346 1.608 20 30 CDEDLO CC#CCON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000766068289 576076241 /nfs/dbraw/zinc/07/62/41/576076241.db2.gz BUZCZNHQOLCMRX-UHFFFAOYSA-N 1 2 287.363 1.179 20 30 CDEDLO Cc1[nH+]cc(C=NN2CC(=O)N(C)C2=O)n1-c1ccccc1 ZINC000768379593 576277356 /nfs/dbraw/zinc/27/73/56/576277356.db2.gz KUVRQVAWYGEZFW-UHFFFAOYSA-N 1 2 297.318 1.409 20 30 CDEDLO CCC(N=Nc1ccc(-n2cc[nH+]c2)nn1)c1cnn(C)c1 ZINC000761858305 576598675 /nfs/dbraw/zinc/59/86/75/576598675.db2.gz SURHGJMBXGLPGH-UHFFFAOYSA-N 1 2 296.338 1.622 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745081424 576713068 /nfs/dbraw/zinc/71/30/68/576713068.db2.gz YPIDOLQHDKSSOK-QWHCGFSZSA-N 1 2 295.383 1.022 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000745081424 576713070 /nfs/dbraw/zinc/71/30/70/576713070.db2.gz YPIDOLQHDKSSOK-QWHCGFSZSA-N 1 2 295.383 1.022 20 30 CDEDLO COc1cccc(N[NH+]=Cc2c(N)ncnc2OC)c1 ZINC000747630781 576877725 /nfs/dbraw/zinc/87/77/25/576877725.db2.gz ZQCUDUJRMNWIIU-UHFFFAOYSA-N 1 2 273.296 1.522 20 30 CDEDLO Cc1ccc2[nH+]cc(C=NNS(=O)(=O)C(C)C)n2c1 ZINC000755680091 576954724 /nfs/dbraw/zinc/95/47/24/576954724.db2.gz XZTLOKSXAJKFDD-UHFFFAOYSA-N 1 2 280.353 1.304 20 30 CDEDLO CC(C)c1nc(C#N)c(N=NCc2c[nH+]cn2C)o1 ZINC000755674135 576954756 /nfs/dbraw/zinc/95/47/56/576954756.db2.gz OZLWDGZEESAHPB-UHFFFAOYSA-N 1 2 258.285 1.849 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cccc3n[nH]cc32)CC1 ZINC000749656333 576956612 /nfs/dbraw/zinc/95/66/12/576956612.db2.gz CGVHBCCXKHRNPH-UHFFFAOYSA-N 1 2 282.347 1.344 20 30 CDEDLO Cn1c[nH+]cc1C=NNc1cnnc2ccccc21 ZINC000755733950 576958110 /nfs/dbraw/zinc/95/81/10/576958110.db2.gz LBCPDMJKPZARFE-UHFFFAOYSA-N 1 2 252.281 1.809 20 30 CDEDLO CC[C@@H](C)NC(=O)[C@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000749787771 576962025 /nfs/dbraw/zinc/96/20/25/576962025.db2.gz YEXKHGVVZUNHRF-ZJUUUORDSA-N 1 2 281.331 1.766 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1ncc(C)s1 ZINC000750085961 576975141 /nfs/dbraw/zinc/97/51/41/576975141.db2.gz ARXVOPCGXRWSRM-NEPJUHHUSA-N 1 2 277.393 1.726 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1ncc(C)s1 ZINC000750085961 576975143 /nfs/dbraw/zinc/97/51/43/576975143.db2.gz ARXVOPCGXRWSRM-NEPJUHHUSA-N 1 2 277.393 1.726 20 30 CDEDLO C=C[C@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000756973951 577017946 /nfs/dbraw/zinc/01/79/46/577017946.db2.gz HFFSSNMLLRXEMF-NSHDSACASA-N 1 2 271.324 1.641 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000752075488 577086522 /nfs/dbraw/zinc/08/65/22/577086522.db2.gz MQIYVWVWCANTAW-HOTGVXAUSA-N 1 2 281.359 1.508 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000752075488 577086524 /nfs/dbraw/zinc/08/65/24/577086524.db2.gz MQIYVWVWCANTAW-HOTGVXAUSA-N 1 2 281.359 1.508 20 30 CDEDLO C[N@@H+](CCC#N)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000821597613 606633337 /nfs/dbraw/zinc/63/33/37/606633337.db2.gz BCMPLENMSRXADZ-UHFFFAOYSA-N 1 2 272.312 1.091 20 30 CDEDLO C[N@H+](CCC#N)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000821597613 606633338 /nfs/dbraw/zinc/63/33/38/606633338.db2.gz BCMPLENMSRXADZ-UHFFFAOYSA-N 1 2 272.312 1.091 20 30 CDEDLO CC[N@H+](Cc1cc(-c2nn[nH]n2)cs1)C[C@@H](C)C#N ZINC000825428158 608600715 /nfs/dbraw/zinc/60/07/15/608600715.db2.gz DNYFOTBQMKIXQY-VIFPVBQESA-N 1 2 276.369 1.910 20 30 CDEDLO CC[N@@H+](Cc1cc(-c2nn[nH]n2)cs1)C[C@@H](C)C#N ZINC000825428158 608600714 /nfs/dbraw/zinc/60/07/14/608600714.db2.gz DNYFOTBQMKIXQY-VIFPVBQESA-N 1 2 276.369 1.910 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@H](CC)O2)C1 ZINC000950453439 612990609 /nfs/dbraw/zinc/99/06/09/612990609.db2.gz VTFIUDODZOFKKF-GJZGRUSLSA-N 1 2 278.396 1.500 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCCCO2)C1 ZINC000949897185 612990978 /nfs/dbraw/zinc/99/09/78/612990978.db2.gz RJSURDRCCDOADB-CQSZACIVSA-N 1 2 264.369 1.112 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(C)c(C)n2)C1 ZINC000950890612 612992208 /nfs/dbraw/zinc/99/22/08/612992208.db2.gz NYCSYDLMGATVGL-UHFFFAOYSA-N 1 2 285.391 1.868 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccccc2O)C1 ZINC000949700525 612992665 /nfs/dbraw/zinc/99/26/65/612992665.db2.gz WMMOOXNKNNGGDM-UHFFFAOYSA-N 1 2 272.348 1.562 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2conc2C(C)C)CC1 ZINC000981317200 613159958 /nfs/dbraw/zinc/15/99/58/613159958.db2.gz IYEHDVZCZVBENW-UHFFFAOYSA-N 1 2 275.352 1.579 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2conc2C(C)C)CC1 ZINC000981317200 613159959 /nfs/dbraw/zinc/15/99/59/613159959.db2.gz IYEHDVZCZVBENW-UHFFFAOYSA-N 1 2 275.352 1.579 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+](CCF)CC[C@H]2C)nc1 ZINC000968548222 613191964 /nfs/dbraw/zinc/19/19/64/613191964.db2.gz FCFGVOHNIRLOLA-DOMZBBRYSA-N 1 2 289.354 1.473 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@H+](CCF)CC[C@H]2C)nc1 ZINC000968548222 613191965 /nfs/dbraw/zinc/19/19/65/613191965.db2.gz FCFGVOHNIRLOLA-DOMZBBRYSA-N 1 2 289.354 1.473 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(F)=C(C)C)C2)C1 ZINC000972335911 613210941 /nfs/dbraw/zinc/21/09/41/613210941.db2.gz LWGJWWDOJZUKAC-HNNXBMFYSA-N 1 2 280.343 1.186 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(F)=C(C)C)C2)C1 ZINC000972335911 613210942 /nfs/dbraw/zinc/21/09/42/613210942.db2.gz LWGJWWDOJZUKAC-HNNXBMFYSA-N 1 2 280.343 1.186 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)=C3CCC3)C2)C1 ZINC000972377035 613211967 /nfs/dbraw/zinc/21/19/67/613211967.db2.gz BQYIRNZOIDILPM-QGZVFWFLSA-N 1 2 288.391 1.423 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)=C3CCC3)C2)C1 ZINC000972377035 613211968 /nfs/dbraw/zinc/21/19/68/613211968.db2.gz BQYIRNZOIDILPM-QGZVFWFLSA-N 1 2 288.391 1.423 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c(Cl)cnn2C)C1 ZINC000950331937 613295917 /nfs/dbraw/zinc/29/59/17/613295917.db2.gz ZBPLDCAXQYPZKL-UHFFFAOYSA-N 1 2 296.802 1.796 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c(C)n[nH]c2C)C1 ZINC000956966895 613296019 /nfs/dbraw/zinc/29/60/19/613296019.db2.gz ONFICGDSZHZYMW-UHFFFAOYSA-N 1 2 276.384 1.749 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(=O)n(C)c2)C1 ZINC000950720877 613296416 /nfs/dbraw/zinc/29/64/16/613296416.db2.gz GYUJCPHHQUZIJF-UHFFFAOYSA-N 1 2 289.379 1.108 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnn(CC)c2C)CC1 ZINC000952379088 613321891 /nfs/dbraw/zinc/32/18/91/613321891.db2.gz BOWQQIHNMQXQNU-UHFFFAOYSA-N 1 2 276.384 1.545 20 30 CDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@H+](CCF)CC1 ZINC000982135209 613360598 /nfs/dbraw/zinc/36/05/98/613360598.db2.gz WXNCPJCBVBGTLC-GJZGRUSLSA-N 1 2 298.402 1.862 20 30 CDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000982135209 613360599 /nfs/dbraw/zinc/36/05/99/613360599.db2.gz WXNCPJCBVBGTLC-GJZGRUSLSA-N 1 2 298.402 1.862 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ncccn2)C1 ZINC000970625457 613372085 /nfs/dbraw/zinc/37/20/85/613372085.db2.gz NMAOILRXFBNADB-SNVBAGLBSA-N 1 2 280.759 1.279 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cn(C)cn2)C1 ZINC000969496256 613372295 /nfs/dbraw/zinc/37/22/95/613372295.db2.gz CHAJAWVHOVIGCQ-JTQLQIEISA-N 1 2 282.775 1.223 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc[nH]2)C1 ZINC000969286699 613372309 /nfs/dbraw/zinc/37/23/09/613372309.db2.gz GKXOUZSAXBQKKY-JTQLQIEISA-N 1 2 267.760 1.817 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CCOC2)CC1 ZINC000980803683 613373694 /nfs/dbraw/zinc/37/36/94/613373694.db2.gz ZJCCJZLFQSSPAO-GFCCVEGCSA-N 1 2 272.776 1.310 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CCOC2)CC1 ZINC000980803683 613373695 /nfs/dbraw/zinc/37/36/95/613373695.db2.gz ZJCCJZLFQSSPAO-GFCCVEGCSA-N 1 2 272.776 1.310 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ncc[nH]2)C1 ZINC000966002731 613376101 /nfs/dbraw/zinc/37/61/01/613376101.db2.gz FAPRSLAGHANNPH-MWLCHTKSSA-N 1 2 282.775 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ncc[nH]2)C1 ZINC000966002731 613376102 /nfs/dbraw/zinc/37/61/02/613376102.db2.gz FAPRSLAGHANNPH-MWLCHTKSSA-N 1 2 282.775 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(C)n[nH]2)C(C)(C)C1 ZINC000972830796 613381177 /nfs/dbraw/zinc/38/11/77/613381177.db2.gz KHQICYSLRSFODF-LBPRGKRZSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(C)n[nH]2)C(C)(C)C1 ZINC000972830796 613381178 /nfs/dbraw/zinc/38/11/78/613381178.db2.gz KHQICYSLRSFODF-LBPRGKRZSA-N 1 2 296.802 1.911 20 30 CDEDLO C=CCC[NH+]1CC(N(CC)C(=O)c2cn(C)ccc2=O)C1 ZINC000950844604 613480920 /nfs/dbraw/zinc/48/09/20/613480920.db2.gz AJXCGAUJYJQXGO-UHFFFAOYSA-N 1 2 289.379 1.108 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2cccc3c2ccn3C)CC1 ZINC000951777429 613568321 /nfs/dbraw/zinc/56/83/21/613568321.db2.gz NMQVEYGFPPGFJO-UHFFFAOYSA-N 1 2 295.386 1.959 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)SC)C2)C1 ZINC000972269389 613570468 /nfs/dbraw/zinc/57/04/68/613570468.db2.gz MVOWUDCEZVVCPC-HIFRSBDPSA-N 1 2 296.436 1.065 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)SC)C2)C1 ZINC000972269389 613570471 /nfs/dbraw/zinc/57/04/71/613570471.db2.gz MVOWUDCEZVVCPC-HIFRSBDPSA-N 1 2 296.436 1.065 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(CF)CC3)C2)C1 ZINC000972542703 613570655 /nfs/dbraw/zinc/57/06/55/613570655.db2.gz BNORYBFVLYAPNC-MRXNPFEDSA-N 1 2 294.370 1.063 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(CF)CC3)C2)C1 ZINC000972542703 613570656 /nfs/dbraw/zinc/57/06/56/613570656.db2.gz BNORYBFVLYAPNC-MRXNPFEDSA-N 1 2 294.370 1.063 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2[nH]ncc2F)C[C@@H]1C ZINC000947697090 613606146 /nfs/dbraw/zinc/60/61/46/613606146.db2.gz AWSJHTFGGZXFPP-QWRGUYRKSA-N 1 2 278.331 1.155 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2[nH]ncc2F)C[C@@H]1C ZINC000947697090 613606147 /nfs/dbraw/zinc/60/61/47/613606147.db2.gz AWSJHTFGGZXFPP-QWRGUYRKSA-N 1 2 278.331 1.155 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)C[C@@H]2CCCO2)CC1 ZINC000957845100 613712196 /nfs/dbraw/zinc/71/21/96/613712196.db2.gz AWHCFSNKVRGOJW-KGLIPLIRSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](c2cccnc2)N(C)C)CC1 ZINC000957805420 613712671 /nfs/dbraw/zinc/71/26/71/613712671.db2.gz VZFAWPFDDDLOBH-HNNXBMFYSA-N 1 2 288.395 1.015 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c(C)nn(C)c2Cl)CC1 ZINC000949537420 613714079 /nfs/dbraw/zinc/71/40/79/613714079.db2.gz QRQZLHWKOILJBW-UHFFFAOYSA-N 1 2 282.775 1.326 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c(C)nn(CC)c2Cl)CC1 ZINC000957700778 613714150 /nfs/dbraw/zinc/71/41/50/613714150.db2.gz AETYAMOHIHREQV-UHFFFAOYSA-N 1 2 296.802 1.809 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3c(C)nn(C)c3n2)CC1 ZINC000957795309 613716400 /nfs/dbraw/zinc/71/64/00/613716400.db2.gz MDDDYGMFOAKUCM-UHFFFAOYSA-N 1 2 299.378 1.221 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc(F)c2F)CC1 ZINC000949922177 613716662 /nfs/dbraw/zinc/71/66/62/613716662.db2.gz WRXWBHOOAUBEAQ-UHFFFAOYSA-N 1 2 266.291 1.909 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccnc2OC(C)C)CC1 ZINC000957971198 613717403 /nfs/dbraw/zinc/71/74/03/613717403.db2.gz PVFJIJHOSKZAAN-UHFFFAOYSA-N 1 2 289.379 1.813 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(CC)CC3)C2)C1 ZINC000972539863 613722526 /nfs/dbraw/zinc/72/25/26/613722526.db2.gz INSOWBRSTXXLSM-INIZCTEOSA-N 1 2 278.396 1.666 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(CC)CC3)C2)C1 ZINC000972539863 613722527 /nfs/dbraw/zinc/72/25/27/613722527.db2.gz INSOWBRSTXXLSM-INIZCTEOSA-N 1 2 278.396 1.666 20 30 CDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)C1C[NH+](CC=C(C)C)C1 ZINC000949891772 614724445 /nfs/dbraw/zinc/72/44/45/614724445.db2.gz XKIWANDPFNDPRD-UHFFFAOYSA-N 1 2 286.379 1.999 20 30 CDEDLO CNc1cc(N2CCN(c3ccc(C#N)nc3)CC2)nc[nH+]1 ZINC000893703828 617880971 /nfs/dbraw/zinc/88/09/71/617880971.db2.gz UHCKYCPLOJECLY-UHFFFAOYSA-N 1 2 295.350 1.112 20 30 CDEDLO CNc1cc(N2CCN(c3ccc(C#N)nc3)CC2)[nH+]cn1 ZINC000893703828 617880975 /nfs/dbraw/zinc/88/09/75/617880975.db2.gz UHCKYCPLOJECLY-UHFFFAOYSA-N 1 2 295.350 1.112 20 30 CDEDLO NC(=[NH+]OCCOC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000782312073 618139850 /nfs/dbraw/zinc/13/98/50/618139850.db2.gz AAJAMTULSHBBEX-CYBMUJFWSA-N 1 2 282.315 1.658 20 30 CDEDLO C=CCN(CC(=O)OCC)Cc1c(C)cc[nH+]c1N ZINC000893960593 618224912 /nfs/dbraw/zinc/22/49/12/618224912.db2.gz XMHYXHOWSMJWHY-UHFFFAOYSA-N 1 2 263.341 1.523 20 30 CDEDLO C=CCOC[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)C(=O)[O-] ZINC000901808391 618260392 /nfs/dbraw/zinc/26/03/92/618260392.db2.gz FAOGAIYAOBOISD-GFCCVEGCSA-N 1 2 275.308 1.080 20 30 CDEDLO CC(C)CN(CCC#N)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000824234920 618557398 /nfs/dbraw/zinc/55/73/98/618557398.db2.gz XAGODOFPQNNIBF-ZDUSSCGKSA-N 1 2 274.368 1.844 20 30 CDEDLO N#C[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000928216178 618568191 /nfs/dbraw/zinc/56/81/91/618568191.db2.gz SOYVEOHWMVIWHN-VXGBXAGGSA-N 1 2 258.325 1.208 20 30 CDEDLO CC(C)c1cnc(C[NH2+][C@@H]2CCCN(O)C2=O)s1 ZINC000895159020 619377368 /nfs/dbraw/zinc/37/73/68/619377368.db2.gz BRRCLLAWKCJTMN-SECBINFHSA-N 1 2 269.370 1.736 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCCN1O ZINC000895166770 619395274 /nfs/dbraw/zinc/39/52/74/619395274.db2.gz RMYBOXGOORUJQJ-LLVKDONJSA-N 1 2 299.714 1.718 20 30 CDEDLO COC(=O)c1ccc(C[NH2+][C@@H]2CCCN(O)C2=O)c(F)c1 ZINC000895196107 619445678 /nfs/dbraw/zinc/44/56/78/619445678.db2.gz IYNYCTLGKLUEOH-GFCCVEGCSA-N 1 2 296.298 1.082 20 30 CDEDLO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000895796006 619849537 /nfs/dbraw/zinc/84/95/37/619849537.db2.gz GIEKWMRHXIEWMI-RNCFNFMXSA-N 1 2 282.340 1.220 20 30 CDEDLO C=C1CCC(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC000899065549 622037012 /nfs/dbraw/zinc/03/70/12/622037012.db2.gz HEIKHXODSGQXEU-UHFFFAOYSA-N 1 2 294.395 1.298 20 30 CDEDLO C=C1CCC(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC000899065549 622037015 /nfs/dbraw/zinc/03/70/15/622037015.db2.gz HEIKHXODSGQXEU-UHFFFAOYSA-N 1 2 294.395 1.298 20 30 CDEDLO C[C@H](C#N)OCCOC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000801857579 623930966 /nfs/dbraw/zinc/93/09/66/623930966.db2.gz ZWDPZVITOIBFDA-TZMCWYRMSA-N 1 2 276.336 1.761 20 30 CDEDLO C#CC[N@H+](CN1C(=O)[C@@]2(CCCO2)[C@H]1C1CC1)C(C)C ZINC000905747710 626944425 /nfs/dbraw/zinc/94/44/25/626944425.db2.gz BAFRQWSIEXBQHO-GDBMZVCRSA-N 1 2 276.380 1.458 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)[C@@]2(CCCO2)[C@H]1C1CC1)C(C)C ZINC000905747710 626944428 /nfs/dbraw/zinc/94/44/28/626944428.db2.gz BAFRQWSIEXBQHO-GDBMZVCRSA-N 1 2 276.380 1.458 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C/C=C\C)C(=O)OCC ZINC000907400707 627639762 /nfs/dbraw/zinc/63/97/62/627639762.db2.gz PZVJGLOKJZLGRE-KUTPXYQMSA-N 1 2 292.379 1.098 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C/C=C\C)C(=O)OCC ZINC000907400707 627639766 /nfs/dbraw/zinc/63/97/66/627639766.db2.gz PZVJGLOKJZLGRE-KUTPXYQMSA-N 1 2 292.379 1.098 20 30 CDEDLO N#CCc1ccccc1C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913439285 630481823 /nfs/dbraw/zinc/48/18/23/630481823.db2.gz AIZVHIWJVAXXTH-OAHLLOKOSA-N 1 2 295.346 1.262 20 30 CDEDLO COc1cccc(O)c1/C=N\[C@H](C)C[NH+]1CCOCC1 ZINC000915979456 631879381 /nfs/dbraw/zinc/87/93/81/631879381.db2.gz PWMOCLSMTMFOAG-YUSFRKCESA-N 1 2 278.352 1.540 20 30 CDEDLO COc1ccc(CNC(=O)Cc2[nH]c[nH+]c2C)cc1C#N ZINC000918737501 632435397 /nfs/dbraw/zinc/43/53/97/632435397.db2.gz KLNRQIFMGNOECR-UHFFFAOYSA-N 1 2 284.319 1.457 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C#N)C1CCCC1 ZINC000921549027 633073121 /nfs/dbraw/zinc/07/31/21/633073121.db2.gz CMFONSWIQCNASE-GXFFZTMASA-N 1 2 260.341 1.787 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C#N)C1CCCC1 ZINC000921549027 633073123 /nfs/dbraw/zinc/07/31/23/633073123.db2.gz CMFONSWIQCNASE-GXFFZTMASA-N 1 2 260.341 1.787 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2cccc(Cl)c2C#N)C1 ZINC000128945120 1158897578 /nfs/dbraw/zinc/89/75/78/1158897578.db2.gz ZHTORNLBVMSJLE-JTQLQIEISA-N 1 2 266.728 1.921 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2cccc(Cl)c2C#N)C1 ZINC000128945120 1158897592 /nfs/dbraw/zinc/89/75/92/1158897592.db2.gz ZHTORNLBVMSJLE-JTQLQIEISA-N 1 2 266.728 1.921 20 30 CDEDLO CC(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1 ZINC001691200455 1158954444 /nfs/dbraw/zinc/95/44/44/1158954444.db2.gz ZPBZQSPTLPGAQI-UHFFFAOYSA-N 1 2 257.337 1.659 20 30 CDEDLO CC(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC001691200455 1158954446 /nfs/dbraw/zinc/95/44/46/1158954446.db2.gz ZPBZQSPTLPGAQI-UHFFFAOYSA-N 1 2 257.337 1.659 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cscn3)C[C@H]21 ZINC001114025012 1162407764 /nfs/dbraw/zinc/40/77/64/1162407764.db2.gz HULLGJNNYOPJBR-IMRBUKKESA-N 1 2 277.393 1.656 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cscn3)C[C@H]21 ZINC001114025012 1162407766 /nfs/dbraw/zinc/40/77/66/1162407766.db2.gz HULLGJNNYOPJBR-IMRBUKKESA-N 1 2 277.393 1.656 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3coc(C)n3)C[C@H]21 ZINC001114198758 1162452067 /nfs/dbraw/zinc/45/20/67/1162452067.db2.gz IFCFJNCCHRDVGU-FOLVSLTJSA-N 1 2 287.363 1.333 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3coc(C)n3)C[C@H]21 ZINC001114198758 1162452070 /nfs/dbraw/zinc/45/20/70/1162452070.db2.gz IFCFJNCCHRDVGU-FOLVSLTJSA-N 1 2 287.363 1.333 20 30 CDEDLO O=C(C#CC1CC1)N[C@@H]1[C@H]2C[N@H+](Cc3nccs3)C[C@H]21 ZINC001114253905 1162461230 /nfs/dbraw/zinc/46/12/30/1162461230.db2.gz WNGAWBNRRVHLDR-JYAVWHMHSA-N 1 2 287.388 1.103 20 30 CDEDLO O=C(C#CC1CC1)N[C@@H]1[C@H]2C[N@@H+](Cc3nccs3)C[C@H]21 ZINC001114253905 1162461233 /nfs/dbraw/zinc/46/12/33/1162461233.db2.gz WNGAWBNRRVHLDR-JYAVWHMHSA-N 1 2 287.388 1.103 20 30 CDEDLO Cc1ccc(S(=O)(=O)NC2(C#N)CC[NH+](C)CC2)s1 ZINC000040366861 1158584430 /nfs/dbraw/zinc/58/44/30/1158584430.db2.gz ISYBTGZZZYGZNU-UHFFFAOYSA-N 1 2 299.421 1.323 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@H](C)C(C)(F)F)C1 ZINC001754582344 1159295744 /nfs/dbraw/zinc/29/57/44/1159295744.db2.gz ZIXJVBSPVGZJRX-NSHDSACASA-N 1 2 290.354 1.623 20 30 CDEDLO COC(C[N@H+](C)Cc1cc(C#N)ccc1F)OC ZINC000714569359 1160641264 /nfs/dbraw/zinc/64/12/64/1160641264.db2.gz ZOASREDBWPUXKJ-UHFFFAOYSA-N 1 2 252.289 1.748 20 30 CDEDLO COC(C[N@@H+](C)Cc1cc(C#N)ccc1F)OC ZINC000714569359 1160641266 /nfs/dbraw/zinc/64/12/66/1160641266.db2.gz ZOASREDBWPUXKJ-UHFFFAOYSA-N 1 2 252.289 1.748 20 30 CDEDLO C#CCOCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001132042376 1163150612 /nfs/dbraw/zinc/15/06/12/1163150612.db2.gz UHGQBYPENSHIAG-ZIAGYGMSSA-N 1 2 298.814 1.748 20 30 CDEDLO C#CCOCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=C)Cl)C1 ZINC001132042376 1163150615 /nfs/dbraw/zinc/15/06/15/1163150615.db2.gz UHGQBYPENSHIAG-ZIAGYGMSSA-N 1 2 298.814 1.748 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](C[C@H](F)CC)C[C@H]2O)C1 ZINC001077641858 1161318101 /nfs/dbraw/zinc/31/81/01/1161318101.db2.gz LARPQQQAFZYKAZ-JHJVBQTASA-N 1 2 284.375 1.252 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](C[C@H](F)CC)C[C@H]2O)C1 ZINC001077641858 1161318105 /nfs/dbraw/zinc/31/81/05/1161318105.db2.gz LARPQQQAFZYKAZ-JHJVBQTASA-N 1 2 284.375 1.252 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@](C)(C=C)CCOC)CC1 ZINC001113161841 1162119175 /nfs/dbraw/zinc/11/91/75/1162119175.db2.gz LTGBPXHNVXWBLT-OAHLLOKOSA-N 1 2 266.385 1.545 20 30 CDEDLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)Nc1ccc(C#N)cn1 ZINC001113314830 1162152899 /nfs/dbraw/zinc/15/28/99/1162152899.db2.gz WINZPSVEZIYBNG-GHMZBOCLSA-N 1 2 298.350 1.224 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCCn2cccc2)CC1 ZINC001113670903 1162252599 /nfs/dbraw/zinc/25/25/99/1162252599.db2.gz ZSSSCAGQKPIGRY-UHFFFAOYSA-N 1 2 273.380 1.436 20 30 CDEDLO C[C@H]1OCC[C@H]1CO[NH+]=C(N)c1ccc(F)cc1 ZINC000871723132 1165333642 /nfs/dbraw/zinc/33/36/42/1165333642.db2.gz VBOIDFMGTBGQFB-KOLCDFICSA-N 1 2 252.289 1.888 20 30 CDEDLO CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C#N)ccc3O)C[C@H]21 ZINC001232676571 1167389823 /nfs/dbraw/zinc/38/98/23/1167389823.db2.gz MIBYQMBJAKPOHA-FOLVSLTJSA-N 1 2 299.374 1.466 20 30 CDEDLO CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(C#N)ccc3O)C[C@H]21 ZINC001232676571 1167389830 /nfs/dbraw/zinc/38/98/30/1167389830.db2.gz MIBYQMBJAKPOHA-FOLVSLTJSA-N 1 2 299.374 1.466 20 30 CDEDLO N#CC1(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)CC1 ZINC001649784911 1169364761 /nfs/dbraw/zinc/36/47/61/1169364761.db2.gz IBIDZLRRJNYDHS-OAHLLOKOSA-N 1 2 298.390 1.856 20 30 CDEDLO N#CC1(CNC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)CC1 ZINC001649784911 1169364768 /nfs/dbraw/zinc/36/47/68/1169364768.db2.gz IBIDZLRRJNYDHS-OAHLLOKOSA-N 1 2 298.390 1.856 20 30 CDEDLO N#Cc1ccc(OC2CN(C(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC001649897277 1169477682 /nfs/dbraw/zinc/47/76/82/1169477682.db2.gz RJRIAJFMYVWAJB-UHFFFAOYSA-N 1 2 282.303 1.114 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCCC[NH2+]Cc1c[nH]nn1 ZINC001575038277 1171092901 /nfs/dbraw/zinc/09/29/01/1171092901.db2.gz AHWSSIBSAKKWEG-UHFFFAOYSA-N 1 2 265.361 1.003 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCCC[NH2+]Cc1cn[nH]n1 ZINC001575038277 1171092907 /nfs/dbraw/zinc/09/29/07/1171092907.db2.gz AHWSSIBSAKKWEG-UHFFFAOYSA-N 1 2 265.361 1.003 20 30 CDEDLO C[C@H](C[C@H](C)NC(=O)C#CC(C)(C)C)[NH2+]Cc1c[nH]nn1 ZINC001575508808 1171187919 /nfs/dbraw/zinc/18/79/19/1171187919.db2.gz GIEZSENZRLQRMW-NEPJUHHUSA-N 1 2 291.399 1.227 20 30 CDEDLO C[C@H](C[C@H](C)NC(=O)C#CC(C)(C)C)[NH2+]Cc1cn[nH]n1 ZINC001575508808 1171187923 /nfs/dbraw/zinc/18/79/23/1171187923.db2.gz GIEZSENZRLQRMW-NEPJUHHUSA-N 1 2 291.399 1.227 20 30 CDEDLO Cc1nc(C#N)cc(NCc2ccn3cc[nH+]c3c2)n1 ZINC001650860195 1171261492 /nfs/dbraw/zinc/26/14/92/1171261492.db2.gz QZYUHDFVJUWYMR-UHFFFAOYSA-N 1 2 264.292 1.917 20 30 CDEDLO C#CC[N@H+](Cc1ccc(-c2nn[nH]n2)o1)C1CSC1 ZINC001588350812 1173050090 /nfs/dbraw/zinc/05/00/90/1173050090.db2.gz QMZJPRLNSWAKKI-UHFFFAOYSA-N 1 2 275.337 1.010 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)C1CSC1 ZINC001588350812 1173050099 /nfs/dbraw/zinc/05/00/99/1173050099.db2.gz QMZJPRLNSWAKKI-UHFFFAOYSA-N 1 2 275.337 1.010 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Nc1cc(C#N)cc(Cl)n1 ZINC000122699262 1175244214 /nfs/dbraw/zinc/24/42/14/1175244214.db2.gz DHSALDOTXBWCQX-JTQLQIEISA-N 1 2 280.759 1.739 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@H]1CCCO1 ZINC001690925699 1175611874 /nfs/dbraw/zinc/61/18/74/1175611874.db2.gz UMQLZFKUWPVZML-LLVKDONJSA-N 1 2 260.765 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@H]1CCCO1 ZINC001690925699 1175611879 /nfs/dbraw/zinc/61/18/79/1175611879.db2.gz UMQLZFKUWPVZML-LLVKDONJSA-N 1 2 260.765 1.356 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)CCOCC(F)F)C1 ZINC001753376855 1185176247 /nfs/dbraw/zinc/17/62/47/1185176247.db2.gz DPEGZSOJHZWTEI-UHFFFAOYSA-N 1 2 262.300 1.035 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)Cc1ccc(CC)cn1 ZINC001754493734 1185641610 /nfs/dbraw/zinc/64/16/10/1185641610.db2.gz FEHQUAHAWYGLFM-OAHLLOKOSA-N 1 2 271.364 1.010 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1ccc(CC)cn1 ZINC001754493734 1185641613 /nfs/dbraw/zinc/64/16/13/1185641613.db2.gz FEHQUAHAWYGLFM-OAHLLOKOSA-N 1 2 271.364 1.010 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](OC)C1CCCCC1 ZINC001754504383 1185648380 /nfs/dbraw/zinc/64/83/80/1185648380.db2.gz HXIPLOXWNJXXGN-CABCVRRESA-N 1 2 278.396 1.405 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](OC)C1CCCCC1 ZINC001754504383 1185648382 /nfs/dbraw/zinc/64/83/82/1185648382.db2.gz HXIPLOXWNJXXGN-CABCVRRESA-N 1 2 278.396 1.405 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H](C)[C@H]2CCCO2)C1 ZINC001754585811 1185674753 /nfs/dbraw/zinc/67/47/53/1185674753.db2.gz DAVDPJQUJSHYPE-GXTWGEPZSA-N 1 2 266.385 1.520 20 30 CDEDLO C#CCN(C(C)=O)C1CC[NH+](Cc2cscn2)CC1 ZINC001754631924 1185689278 /nfs/dbraw/zinc/68/92/78/1185689278.db2.gz FZQSTKBDTNAOKT-UHFFFAOYSA-N 1 2 277.393 1.589 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)COCCCC)CO2 ZINC001755058226 1185801388 /nfs/dbraw/zinc/80/13/88/1185801388.db2.gz DTHUMPQEZBCJTJ-CQSZACIVSA-N 1 2 296.411 1.339 20 30 CDEDLO C=CC(C)(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nc(C)no1 ZINC001755237679 1185871735 /nfs/dbraw/zinc/87/17/35/1185871735.db2.gz RBEAXGNGYFGBLN-WDEREUQCSA-N 1 2 294.399 1.963 20 30 CDEDLO C#CCC[NH+]1CC(CCO)(NC(=O)C(C)(CC)CC)C1 ZINC001755338226 1185923271 /nfs/dbraw/zinc/92/32/71/1185923271.db2.gz 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C#CCC[NH+]1CC(NC(=O)c2c(C)nc3sccn32)C1 ZINC001030524643 726189803 /nfs/dbraw/zinc/18/98/03/726189803.db2.gz STYCIBUUVFWBAJ-UHFFFAOYSA-N 1 2 288.376 1.142 20 30 CDEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+]2[C@@H](C)C(=O)NC)CC1 ZINC001038668538 726193328 /nfs/dbraw/zinc/19/33/28/726193328.db2.gz VBOILKOEQXOELG-JSGCOSHPSA-N 1 2 293.411 1.058 20 30 CDEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+]2[C@@H](C)C(=O)NC)CC1 ZINC001038668538 726193333 /nfs/dbraw/zinc/19/33/33/726193333.db2.gz VBOILKOEQXOELG-JSGCOSHPSA-N 1 2 293.411 1.058 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001038165795 726200963 /nfs/dbraw/zinc/20/09/63/726200963.db2.gz DKMCSVVAWGKMDH-ZDUSSCGKSA-N 1 2 260.337 1.724 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001038165795 726200964 /nfs/dbraw/zinc/20/09/64/726200964.db2.gz DKMCSVVAWGKMDH-ZDUSSCGKSA-N 1 2 260.337 1.724 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)nc1 ZINC001017722765 726238402 /nfs/dbraw/zinc/23/84/02/726238402.db2.gz ZOFQGHNTEHTGDP-GASCZTMLSA-N 1 2 299.374 1.402 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)nc1 ZINC001017722765 726238404 /nfs/dbraw/zinc/23/84/04/726238404.db2.gz ZOFQGHNTEHTGDP-GASCZTMLSA-N 1 2 299.374 1.402 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)C#Cc2ccccc2)[C@@H](C)CO1 ZINC000855411128 726242733 /nfs/dbraw/zinc/24/27/33/726242733.db2.gz NUKGODOHZDNHBY-GJZGRUSLSA-N 1 2 286.375 1.264 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)C#Cc2ccccc2)[C@@H](C)CO1 ZINC000855411128 726242734 /nfs/dbraw/zinc/24/27/34/726242734.db2.gz NUKGODOHZDNHBY-GJZGRUSLSA-N 1 2 286.375 1.264 20 30 CDEDLO Cn1cc([C@H]2CN(C(=O)c3ccc(C#N)cc3)CC[NH2+]2)cn1 ZINC000913475682 726253909 /nfs/dbraw/zinc/25/39/09/726253909.db2.gz NCZVQYWIKPLRFR-OAHLLOKOSA-N 1 2 295.346 1.078 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001018331665 726279508 /nfs/dbraw/zinc/27/95/08/726279508.db2.gz XDJZZPTWIOYGLR-LFONDWLOSA-N 1 2 284.403 1.587 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001018331665 726279512 /nfs/dbraw/zinc/27/95/12/726279512.db2.gz XDJZZPTWIOYGLR-LFONDWLOSA-N 1 2 284.403 1.587 20 30 CDEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001014732682 726292562 /nfs/dbraw/zinc/29/25/62/726292562.db2.gz WRTGYQVQWBEUJT-LBPRGKRZSA-N 1 2 265.332 1.448 20 30 CDEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001014732682 726292565 /nfs/dbraw/zinc/29/25/65/726292565.db2.gz WRTGYQVQWBEUJT-LBPRGKRZSA-N 1 2 265.332 1.448 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(Cl)o2)C1 ZINC001035289618 726312248 /nfs/dbraw/zinc/31/22/48/726312248.db2.gz DEDYQEOYOVRUPU-LLVKDONJSA-N 1 2 298.770 1.940 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(Cl)o2)C1 ZINC001035289618 726312249 /nfs/dbraw/zinc/31/22/49/726312249.db2.gz DEDYQEOYOVRUPU-LLVKDONJSA-N 1 2 298.770 1.940 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2scnc2CC)CC[C@@H]1C ZINC001071552080 726326113 /nfs/dbraw/zinc/32/61/13/726326113.db2.gz IVJKVVWROBUDDI-NWDGAFQWSA-N 1 2 291.420 1.921 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2scnc2CC)CC[C@@H]1C ZINC001071552080 726326116 /nfs/dbraw/zinc/32/61/16/726326116.db2.gz IVJKVVWROBUDDI-NWDGAFQWSA-N 1 2 291.420 1.921 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3(CC)CC3)C[C@H]21 ZINC001074331466 726345385 /nfs/dbraw/zinc/34/53/85/726345385.db2.gz HQZILARISGGJHJ-HUUCEWRRSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(CC)CC3)C[C@H]21 ZINC001074331466 726345389 /nfs/dbraw/zinc/34/53/89/726345389.db2.gz HQZILARISGGJHJ-HUUCEWRRSA-N 1 2 290.407 1.502 20 30 CDEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)C3CC3)CC2)cc1 ZINC000809539825 726348592 /nfs/dbraw/zinc/34/85/92/726348592.db2.gz BEAIAQNXISWTIT-UHFFFAOYSA-N 1 2 268.360 1.722 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCCN(C(=O)CC)C2)C1 ZINC001030356856 726364850 /nfs/dbraw/zinc/36/48/50/726364850.db2.gz CZVQMNJWMDSBDJ-ZDUSSCGKSA-N 1 2 293.411 1.012 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC001030324653 726373965 /nfs/dbraw/zinc/37/39/65/726373965.db2.gz UHSKSAWHGUGAMG-SJORKVTESA-N 1 2 298.386 1.730 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2c(C)nn(C)c2Cl)nn1 ZINC000864637666 726379568 /nfs/dbraw/zinc/37/95/68/726379568.db2.gz PHXSKTZOTBJPGU-UHFFFAOYSA-N 1 2 292.774 1.135 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2c[nH]cc2C)C1 ZINC001032183732 726381874 /nfs/dbraw/zinc/38/18/74/726381874.db2.gz XNXWARDQXNPGGB-UHFFFAOYSA-N 1 2 267.760 1.737 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)cc1 ZINC000249268725 726392181 /nfs/dbraw/zinc/39/21/81/726392181.db2.gz IUPTWFDOFBGJGG-XJKCOSOUSA-N 1 2 290.363 1.559 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)cc1 ZINC000249268725 726392185 /nfs/dbraw/zinc/39/21/85/726392185.db2.gz IUPTWFDOFBGJGG-XJKCOSOUSA-N 1 2 290.363 1.559 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001006884378 726401147 /nfs/dbraw/zinc/40/11/47/726401147.db2.gz UJKVYAZHSXKLSF-RYUDHWBXSA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001006884378 726401152 /nfs/dbraw/zinc/40/11/52/726401152.db2.gz UJKVYAZHSXKLSF-RYUDHWBXSA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)CC2CCOCC2)C1 ZINC001030171355 726405732 /nfs/dbraw/zinc/40/57/32/726405732.db2.gz KVJBSERMEBBFDO-UHFFFAOYSA-N 1 2 252.358 1.180 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C(F)F)nn2C)C1 ZINC001043329503 726825341 /nfs/dbraw/zinc/82/53/41/726825341.db2.gz GVHXYFZCUZEDGU-UHFFFAOYSA-N 1 2 298.337 1.690 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000874707659 726846272 /nfs/dbraw/zinc/84/62/72/726846272.db2.gz DWHCAFKLOJXLDA-GFCCVEGCSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000874707659 726846274 /nfs/dbraw/zinc/84/62/74/726846274.db2.gz DWHCAFKLOJXLDA-GFCCVEGCSA-N 1 2 254.374 1.426 20 30 CDEDLO C#C[C@@H](NC(=O)NCCCn1cc[nH+]c1)c1ccccc1 ZINC000825525962 726852358 /nfs/dbraw/zinc/85/23/58/726852358.db2.gz LBVLLWKNABBUIC-OAHLLOKOSA-N 1 2 282.347 1.947 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C2CC2)nn1CC ZINC001032466349 726855007 /nfs/dbraw/zinc/85/50/07/726855007.db2.gz TUIVLSQZSNEQLN-KBPBESRZSA-N 1 2 298.390 1.312 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C2CC2)nn1CC ZINC001032466349 726855010 /nfs/dbraw/zinc/85/50/10/726855010.db2.gz TUIVLSQZSNEQLN-KBPBESRZSA-N 1 2 298.390 1.312 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1[nH]nnc1C ZINC001024587481 726856341 /nfs/dbraw/zinc/85/63/41/726856341.db2.gz JICYHXZBULIQIH-NSHDSACASA-N 1 2 297.790 1.450 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1[nH]nnc1C ZINC001024587481 726856344 /nfs/dbraw/zinc/85/63/44/726856344.db2.gz JICYHXZBULIQIH-NSHDSACASA-N 1 2 297.790 1.450 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C(C)C)cn1 ZINC001038686732 726856976 /nfs/dbraw/zinc/85/69/76/726856976.db2.gz AKIPBUWBAQUQME-AWEZNQCLSA-N 1 2 271.364 1.642 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(C)C)cn1 ZINC001038686732 726856977 /nfs/dbraw/zinc/85/69/77/726856977.db2.gz AKIPBUWBAQUQME-AWEZNQCLSA-N 1 2 271.364 1.642 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[C@@H]2C)C1 ZINC001033329217 726883888 /nfs/dbraw/zinc/88/38/88/726883888.db2.gz XEEWVDLFBYHDNV-DLOVCJGASA-N 1 2 256.777 1.928 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[C@@H]2C)C1 ZINC001033329217 726883889 /nfs/dbraw/zinc/88/38/89/726883889.db2.gz XEEWVDLFBYHDNV-DLOVCJGASA-N 1 2 256.777 1.928 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)n2cncn2)C1 ZINC001033023905 726886576 /nfs/dbraw/zinc/88/65/76/726886576.db2.gz YQNCOLCNNDHYKU-RYUDHWBXSA-N 1 2 297.790 1.124 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)n2cncn2)C1 ZINC001033023905 726886577 /nfs/dbraw/zinc/88/65/77/726886577.db2.gz YQNCOLCNNDHYKU-RYUDHWBXSA-N 1 2 297.790 1.124 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1nccc2occc21 ZINC001038543822 726888555 /nfs/dbraw/zinc/88/85/55/726888555.db2.gz OZKLJXWZXATMMY-LLVKDONJSA-N 1 2 269.304 1.265 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nccc2occc21 ZINC001038543822 726888556 /nfs/dbraw/zinc/88/85/56/726888556.db2.gz OZKLJXWZXATMMY-LLVKDONJSA-N 1 2 269.304 1.265 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccnc(OC)c2)C1 ZINC001043193327 726909617 /nfs/dbraw/zinc/90/96/17/726909617.db2.gz URMXARBWKSVWLQ-UHFFFAOYSA-N 1 2 275.352 1.423 20 30 CDEDLO C#CCOc1ccccc1C[NH2+]Cc1nnc2n1CCOC2 ZINC000791008392 726922742 /nfs/dbraw/zinc/92/27/42/726922742.db2.gz SUFBUXOKLGHQOA-UHFFFAOYSA-N 1 2 298.346 1.110 20 30 CDEDLO N#Cc1ccc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)nc1 ZINC000788002827 726924207 /nfs/dbraw/zinc/92/42/07/726924207.db2.gz DJOSPWJCOQITNC-LBPRGKRZSA-N 1 2 281.319 1.029 20 30 CDEDLO CCC(CC)([NH2+]C[C@H](O)CC1(C#N)CCC1)C(=O)OC ZINC000886132423 726953458 /nfs/dbraw/zinc/95/34/58/726953458.db2.gz XZSYDOUXDBSYKY-GFCCVEGCSA-N 1 2 282.384 1.753 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1(F)CCCC1)CO2 ZINC001053852784 727000497 /nfs/dbraw/zinc/00/04/97/727000497.db2.gz QQQBHBRDXFLQPU-ZDUSSCGKSA-N 1 2 296.386 1.804 20 30 CDEDLO C#CCSCC(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000885898589 727014031 /nfs/dbraw/zinc/01/40/31/727014031.db2.gz OTCYOKRFDLAJAZ-UHFFFAOYSA-N 1 2 264.350 1.557 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(C)C)on1 ZINC001038556297 727036269 /nfs/dbraw/zinc/03/62/69/727036269.db2.gz XQZBVQDZULQADG-NSHDSACASA-N 1 2 263.341 1.788 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(C)C)on1 ZINC001038556297 727036288 /nfs/dbraw/zinc/03/62/88/727036288.db2.gz XQZBVQDZULQADG-NSHDSACASA-N 1 2 263.341 1.788 20 30 CDEDLO Cc1cc(C)n(-c2nncn2N=Cc2c[nH+]c(C)n2C)n1 ZINC000853281893 727052669 /nfs/dbraw/zinc/05/26/69/727052669.db2.gz JTBGZPOEMXAZBV-UHFFFAOYSA-N 1 2 284.327 1.005 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnoc2CC)C1 ZINC001035526783 727054953 /nfs/dbraw/zinc/05/49/53/727054953.db2.gz NJEZIWDGQRNLSA-GFCCVEGCSA-N 1 2 293.367 1.244 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnoc2CC)C1 ZINC001035526783 727054954 /nfs/dbraw/zinc/05/49/54/727054954.db2.gz NJEZIWDGQRNLSA-GFCCVEGCSA-N 1 2 293.367 1.244 20 30 CDEDLO CC[C@@H](F)C[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038140504 727068909 /nfs/dbraw/zinc/06/89/09/727068909.db2.gz OLUOFQUWMDCIHF-VXGBXAGGSA-N 1 2 278.331 1.439 20 30 CDEDLO CC[C@@H](F)C[N@H+]1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038140504 727068914 /nfs/dbraw/zinc/06/89/14/727068914.db2.gz OLUOFQUWMDCIHF-VXGBXAGGSA-N 1 2 278.331 1.439 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CO[C@@H](C)C2)C1 ZINC001031790071 727078496 /nfs/dbraw/zinc/07/84/96/727078496.db2.gz QYINOVPFWSEAPA-JQWIXIFHSA-N 1 2 272.776 1.212 20 30 CDEDLO C[C@@H](C#N)OC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000811327261 727092698 /nfs/dbraw/zinc/09/26/98/727092698.db2.gz OXTFEOGFZGMUQB-LBPRGKRZSA-N 1 2 269.304 1.929 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnnc(C)c2)C1 ZINC001033050650 727110169 /nfs/dbraw/zinc/11/01/69/727110169.db2.gz XHVMBIJMGLJVQY-ZDUSSCGKSA-N 1 2 294.786 1.684 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnnc(C)c2)C1 ZINC001033050650 727110181 /nfs/dbraw/zinc/11/01/81/727110181.db2.gz XHVMBIJMGLJVQY-ZDUSSCGKSA-N 1 2 294.786 1.684 20 30 CDEDLO C[C@H]1CSCC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000792720460 727115217 /nfs/dbraw/zinc/11/52/17/727115217.db2.gz PGYWFHWVWYFVRU-LLVKDONJSA-N 1 2 263.366 1.362 20 30 CDEDLO C[C@H]1CSCC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000792720460 727115220 /nfs/dbraw/zinc/11/52/20/727115220.db2.gz PGYWFHWVWYFVRU-LLVKDONJSA-N 1 2 263.366 1.362 20 30 CDEDLO CN1CCN([NH+]=C2CCCc3nc(N)sc32)CC1 ZINC000814686168 727135296 /nfs/dbraw/zinc/13/52/96/727135296.db2.gz VWJZZIHKBQWZCT-UHFFFAOYSA-N 1 2 265.386 1.013 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1(C)C ZINC001017487895 727139604 /nfs/dbraw/zinc/13/96/04/727139604.db2.gz MZHPLLXAKMNRQN-MJBXVCDLSA-N 1 2 260.381 1.731 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1(C)C ZINC001017487895 727139607 /nfs/dbraw/zinc/13/96/07/727139607.db2.gz MZHPLLXAKMNRQN-MJBXVCDLSA-N 1 2 260.381 1.731 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)c(F)c(F)c1 ZINC001032643993 727145461 /nfs/dbraw/zinc/14/54/61/727145461.db2.gz RTKNVPOWCFUZOM-QWRGUYRKSA-N 1 2 294.276 1.636 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)c(F)c(F)c1 ZINC001032643993 727145466 /nfs/dbraw/zinc/14/54/66/727145466.db2.gz RTKNVPOWCFUZOM-QWRGUYRKSA-N 1 2 294.276 1.636 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccon2)c1 ZINC001038084764 727172338 /nfs/dbraw/zinc/17/23/38/727172338.db2.gz WCHYLQIUEUUUEL-CQSZACIVSA-N 1 2 296.330 1.551 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccon2)c1 ZINC001038084764 727172354 /nfs/dbraw/zinc/17/23/54/727172354.db2.gz WCHYLQIUEUUUEL-CQSZACIVSA-N 1 2 296.330 1.551 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C(C)C ZINC001017815883 727177257 /nfs/dbraw/zinc/17/72/57/727177257.db2.gz CNMVDHCAXHPPBV-MJBXVCDLSA-N 1 2 266.360 1.679 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C(C)C ZINC001017815883 727177263 /nfs/dbraw/zinc/17/72/63/727177263.db2.gz CNMVDHCAXHPPBV-MJBXVCDLSA-N 1 2 266.360 1.679 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)coc1C ZINC001017523984 727182755 /nfs/dbraw/zinc/18/27/55/727182755.db2.gz XMSXMFXJYYRTLT-OKILXGFUSA-N 1 2 272.348 1.818 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)coc1C ZINC001017523984 727182772 /nfs/dbraw/zinc/18/27/72/727182772.db2.gz XMSXMFXJYYRTLT-OKILXGFUSA-N 1 2 272.348 1.818 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC3CC3)C[C@H]21 ZINC001074140127 727188224 /nfs/dbraw/zinc/18/82/24/727188224.db2.gz BSHOTDXFAZPSOR-HUUCEWRRSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC3CC3)C[C@H]21 ZINC001074140127 727188229 /nfs/dbraw/zinc/18/82/29/727188229.db2.gz BSHOTDXFAZPSOR-HUUCEWRRSA-N 1 2 276.380 1.112 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC000829975854 727212110 /nfs/dbraw/zinc/21/21/10/727212110.db2.gz UPNVKCVYFLOAHG-LBPRGKRZSA-N 1 2 251.717 1.585 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC000829975854 727212121 /nfs/dbraw/zinc/21/21/21/727212121.db2.gz UPNVKCVYFLOAHG-LBPRGKRZSA-N 1 2 251.717 1.585 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cnccn2)C1 ZINC001034087507 727218198 /nfs/dbraw/zinc/21/81/98/727218198.db2.gz QIZUZQLHBHANEI-LBPRGKRZSA-N 1 2 294.786 1.813 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cnccn2)C1 ZINC001034087507 727218207 /nfs/dbraw/zinc/21/82/07/727218207.db2.gz QIZUZQLHBHANEI-LBPRGKRZSA-N 1 2 294.786 1.813 20 30 CDEDLO C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001036193091 727248263 /nfs/dbraw/zinc/24/82/63/727248263.db2.gz KLRAGGHJSOUUGI-JSGCOSHPSA-N 1 2 276.384 1.355 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCc2cccc(C)n2)nn1 ZINC000887428140 727249494 /nfs/dbraw/zinc/24/94/94/727249494.db2.gz QYQSYQHSCMQKAY-UHFFFAOYSA-N 1 2 269.352 1.337 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccncc1C(F)(F)F ZINC001038872989 727273314 /nfs/dbraw/zinc/27/33/14/727273314.db2.gz FKWCDBSICYBSHV-SNVBAGLBSA-N 1 2 297.280 1.538 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccncc1C(F)(F)F ZINC001038872989 727273325 /nfs/dbraw/zinc/27/33/25/727273325.db2.gz FKWCDBSICYBSHV-SNVBAGLBSA-N 1 2 297.280 1.538 20 30 CDEDLO C#CCOCC[N@H+]1CCOC[C@H]1c1ccc(OC)cc1 ZINC000879740085 727305951 /nfs/dbraw/zinc/30/59/51/727305951.db2.gz INXMSMPTBKHRHJ-INIZCTEOSA-N 1 2 275.348 1.718 20 30 CDEDLO C#CCOCC[N@@H+]1CCOC[C@H]1c1ccc(OC)cc1 ZINC000879740085 727305956 /nfs/dbraw/zinc/30/59/56/727305956.db2.gz INXMSMPTBKHRHJ-INIZCTEOSA-N 1 2 275.348 1.718 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2cn3ccccc3n2)C1 ZINC001043102336 727307163 /nfs/dbraw/zinc/30/71/63/727307163.db2.gz AUSZSDNCHDBDMI-UHFFFAOYSA-N 1 2 298.390 1.596 20 30 CDEDLO C=C[C@H](CC)CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000935934325 727323044 /nfs/dbraw/zinc/32/30/44/727323044.db2.gz QIVWXJHPRFPHLP-RRFJBIMHSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc[nH]1 ZINC001027752955 727326062 /nfs/dbraw/zinc/32/60/62/727326062.db2.gz JOGXOSRYTSXHGL-NSHDSACASA-N 1 2 267.760 1.961 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc[nH]1 ZINC001027752955 727326065 /nfs/dbraw/zinc/32/60/65/727326065.db2.gz JOGXOSRYTSXHGL-NSHDSACASA-N 1 2 267.760 1.961 20 30 CDEDLO C[N@H+](Cc1ccon1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027406913 727327526 /nfs/dbraw/zinc/32/75/26/727327526.db2.gz WWHVPLOTGXAUNL-HNNXBMFYSA-N 1 2 287.363 1.511 20 30 CDEDLO C[N@@H+](Cc1ccon1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027406913 727327530 /nfs/dbraw/zinc/32/75/30/727327530.db2.gz WWHVPLOTGXAUNL-HNNXBMFYSA-N 1 2 287.363 1.511 20 30 CDEDLO C#CCC1([NH2+]CC(=O)OCc2ccccc2)CCOCC1 ZINC000887124883 727335196 /nfs/dbraw/zinc/33/51/96/727335196.db2.gz YZXFYTHVPOEHJA-UHFFFAOYSA-N 1 2 287.359 1.892 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCO[C@H](CC)C2)C1 ZINC001031216761 727341963 /nfs/dbraw/zinc/34/19/63/727341963.db2.gz ZUXJOOVQIOYROJ-TZMCWYRMSA-N 1 2 266.385 1.568 20 30 CDEDLO CC1(C)C[N@H+](CCNC(=O)C#Cc2cccs2)CCO1 ZINC000825574995 727356281 /nfs/dbraw/zinc/35/62/81/727356281.db2.gz GYWNLCQEIKVJGL-UHFFFAOYSA-N 1 2 292.404 1.327 20 30 CDEDLO CC1(C)C[N@@H+](CCNC(=O)C#Cc2cccs2)CCO1 ZINC000825574995 727356283 /nfs/dbraw/zinc/35/62/83/727356283.db2.gz GYWNLCQEIKVJGL-UHFFFAOYSA-N 1 2 292.404 1.327 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C)nc2C)C1 ZINC001031427906 727377658 /nfs/dbraw/zinc/37/76/58/727377658.db2.gz JBQGBESBXPOFLY-UHFFFAOYSA-N 1 2 257.337 1.136 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnsn1 ZINC001027772316 727382283 /nfs/dbraw/zinc/38/22/83/727382283.db2.gz ZGVRSHZPEWVOAA-SECBINFHSA-N 1 2 286.788 1.485 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnsn1 ZINC001027772316 727382285 /nfs/dbraw/zinc/38/22/85/727382285.db2.gz ZGVRSHZPEWVOAA-SECBINFHSA-N 1 2 286.788 1.485 20 30 CDEDLO C#CC[C@H]1CCN(C(=O)Nc2cc(C)[nH+]cc2C)C1 ZINC000887935575 727389994 /nfs/dbraw/zinc/38/99/94/727389994.db2.gz CEBKIVQIELWTNR-ZDUSSCGKSA-N 1 2 257.337 1.997 20 30 CDEDLO C=CC(C)(C)CC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928634958 727390023 /nfs/dbraw/zinc/39/00/23/727390023.db2.gz MQVINALUVKFZSS-ZDUSSCGKSA-N 1 2 268.401 1.816 20 30 CDEDLO C#C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC000844146831 727390227 /nfs/dbraw/zinc/39/02/27/727390227.db2.gz QQHDHJCQKBNFNL-ZBFHGGJFSA-N 1 2 279.343 1.936 20 30 CDEDLO C=CCn1cc(CNc2cc(NCCC)[nH+]cn2)nn1 ZINC000865890538 727390344 /nfs/dbraw/zinc/39/03/44/727390344.db2.gz VHTSASPPFFXQJN-UHFFFAOYSA-N 1 2 273.344 1.688 20 30 CDEDLO C=CCn1cc(CNc2cc(NCCC)nc[nH+]2)nn1 ZINC000865890538 727390346 /nfs/dbraw/zinc/39/03/46/727390346.db2.gz VHTSASPPFFXQJN-UHFFFAOYSA-N 1 2 273.344 1.688 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001051122766 727392322 /nfs/dbraw/zinc/39/23/22/727392322.db2.gz IMGPDYTVCBTYNQ-MGPQQGTHSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001051122766 727392323 /nfs/dbraw/zinc/39/23/23/727392323.db2.gz IMGPDYTVCBTYNQ-MGPQQGTHSA-N 1 2 266.385 1.426 20 30 CDEDLO CN(C)c1cc[nH+]cc1CN=Nc1ncnc2c1cnn2C ZINC000776185028 727393731 /nfs/dbraw/zinc/39/37/31/727393731.db2.gz DCAXUMCUMYXAFK-UHFFFAOYSA-N 1 2 296.338 1.270 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1cnn(C)c1Cl)[C@H]1CCCO1 ZINC000815135436 727399137 /nfs/dbraw/zinc/39/91/37/727399137.db2.gz BMFCLUAJNOGQDX-GHMZBOCLSA-N 1 2 253.733 1.344 20 30 CDEDLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000712278574 727400244 /nfs/dbraw/zinc/40/02/44/727400244.db2.gz ZQULYPOEHRLCOB-SNVBAGLBSA-N 1 2 299.783 1.194 20 30 CDEDLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000712278574 727400243 /nfs/dbraw/zinc/40/02/43/727400243.db2.gz ZQULYPOEHRLCOB-SNVBAGLBSA-N 1 2 299.783 1.194 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875725605 727401474 /nfs/dbraw/zinc/40/14/74/727401474.db2.gz WTRIQYZXFBUIOR-UONOGXRCSA-N 1 2 281.400 1.198 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875725605 727401475 /nfs/dbraw/zinc/40/14/75/727401475.db2.gz WTRIQYZXFBUIOR-UONOGXRCSA-N 1 2 281.400 1.198 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC1CC1)C(C)C ZINC000884090974 727409656 /nfs/dbraw/zinc/40/96/56/727409656.db2.gz KUUFVHSETWOLKY-LBPRGKRZSA-N 1 2 268.357 1.080 20 30 CDEDLO N#CC1(C[C@H](O)C[N@@H+]2Cc3ccccc3NC(=O)C2)CCC1 ZINC000886270488 727410965 /nfs/dbraw/zinc/41/09/65/727410965.db2.gz FEGFWQQPONZVAT-AWEZNQCLSA-N 1 2 299.374 1.886 20 30 CDEDLO N#CC1(C[C@H](O)C[N@H+]2Cc3ccccc3NC(=O)C2)CCC1 ZINC000886270488 727410966 /nfs/dbraw/zinc/41/09/66/727410966.db2.gz FEGFWQQPONZVAT-AWEZNQCLSA-N 1 2 299.374 1.886 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1CC ZINC001017688999 727424297 /nfs/dbraw/zinc/42/42/97/727424297.db2.gz KQRJFHAARUVOLM-GASCZTMLSA-N 1 2 283.375 1.566 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1CC ZINC001017688999 727424300 /nfs/dbraw/zinc/42/43/00/727424300.db2.gz KQRJFHAARUVOLM-GASCZTMLSA-N 1 2 283.375 1.566 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC23CC3)C1 ZINC001035520391 727428571 /nfs/dbraw/zinc/42/85/71/727428571.db2.gz BANFLKVYHIUKDO-CHWSQXEVSA-N 1 2 264.369 1.180 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC23CC3)C1 ZINC001035520391 727428573 /nfs/dbraw/zinc/42/85/73/727428573.db2.gz BANFLKVYHIUKDO-CHWSQXEVSA-N 1 2 264.369 1.180 20 30 CDEDLO C[C@H](CC#N)[NH2+]Cc1cc(=O)oc2cc(O)ccc12 ZINC000878818443 727434885 /nfs/dbraw/zinc/43/48/85/727434885.db2.gz RAAWZOFGCNBJIO-SECBINFHSA-N 1 2 258.277 1.890 20 30 CDEDLO C#C[C@H]([NH2+][C@H](C)c1nnnn1-c1ccccc1)[C@@H]1CCCO1 ZINC000775793686 727444873 /nfs/dbraw/zinc/44/48/73/727444873.db2.gz MRUOSELBXHYIAD-SNPRPXQTSA-N 1 2 297.362 1.494 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001043139136 727448350 /nfs/dbraw/zinc/44/83/50/727448350.db2.gz DXBZHRIBFHTZLQ-ZDUSSCGKSA-N 1 2 288.395 1.164 20 30 CDEDLO Cc1cc(C)c(C(=O)N[C@H](C)C2CN(CC#N)C2)c(C)[nH+]1 ZINC000970189634 727450218 /nfs/dbraw/zinc/45/02/18/727450218.db2.gz IGQGMZUOYBACKQ-GFCCVEGCSA-N 1 2 286.379 1.581 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2[nH]c(=O)oc21 ZINC001039086767 727456196 /nfs/dbraw/zinc/45/61/96/727456196.db2.gz NKKLUYHTYGKZJV-LLVKDONJSA-N 1 2 299.330 1.361 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2[nH]c(=O)oc21 ZINC001039086767 727456197 /nfs/dbraw/zinc/45/61/97/727456197.db2.gz NKKLUYHTYGKZJV-LLVKDONJSA-N 1 2 299.330 1.361 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C2CC2)cn1 ZINC001032760219 727469520 /nfs/dbraw/zinc/46/95/20/727469520.db2.gz RBAXEBNHTRHGAJ-GJZGRUSLSA-N 1 2 281.359 1.491 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C2CC2)cn1 ZINC001032760219 727469521 /nfs/dbraw/zinc/46/95/21/727469521.db2.gz RBAXEBNHTRHGAJ-GJZGRUSLSA-N 1 2 281.359 1.491 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)[C@H](C)CCC)C1 ZINC000885512220 727804301 /nfs/dbraw/zinc/80/43/01/727804301.db2.gz UIEJXOPTCRXGTE-OLZOCXBDSA-N 1 2 272.414 1.192 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)[C@H](C)CCC)C1 ZINC000885512220 727804303 /nfs/dbraw/zinc/80/43/03/727804303.db2.gz UIEJXOPTCRXGTE-OLZOCXBDSA-N 1 2 272.414 1.192 20 30 CDEDLO C#C[C@H](C)NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000776476202 727813764 /nfs/dbraw/zinc/81/37/64/727813764.db2.gz ITUVRYJBZQPRAB-JTQLQIEISA-N 1 2 261.325 1.528 20 30 CDEDLO C[N@H+](CC(F)F)C1CCN(c2cncc(C#N)n2)CC1 ZINC000825807438 727815546 /nfs/dbraw/zinc/81/55/46/727815546.db2.gz FBWYRXAJYRLUBT-UHFFFAOYSA-N 1 2 281.310 1.514 20 30 CDEDLO C[N@@H+](CC(F)F)C1CCN(c2cncc(C#N)n2)CC1 ZINC000825807438 727815549 /nfs/dbraw/zinc/81/55/49/727815549.db2.gz FBWYRXAJYRLUBT-UHFFFAOYSA-N 1 2 281.310 1.514 20 30 CDEDLO CC#CC[N@@H+]1CCCC[C@H](NC(=O)c2cnns2)C1 ZINC001034114175 727816228 /nfs/dbraw/zinc/81/62/28/727816228.db2.gz OFKKKMXFWXUZFG-NSHDSACASA-N 1 2 278.381 1.146 20 30 CDEDLO CC#CC[N@H+]1CCCC[C@H](NC(=O)c2cnns2)C1 ZINC001034114175 727816230 /nfs/dbraw/zinc/81/62/30/727816230.db2.gz OFKKKMXFWXUZFG-NSHDSACASA-N 1 2 278.381 1.146 20 30 CDEDLO COCCc1noc(CO[NH+]=C(N)c2ccc(F)cc2)n1 ZINC000078805694 727824278 /nfs/dbraw/zinc/82/42/78/727824278.db2.gz OPWAKVCDXKNWDR-UHFFFAOYSA-N 1 2 294.286 1.235 20 30 CDEDLO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1nnnn1C1CC1 ZINC000792475112 727833550 /nfs/dbraw/zinc/83/35/50/727833550.db2.gz VDIHAAFLSRHZEK-LLVKDONJSA-N 1 2 282.351 1.925 20 30 CDEDLO C=CCC[NH+]1CC(N(C)C(=O)c2cc(C(N)=O)cs2)C1 ZINC001044341011 727834150 /nfs/dbraw/zinc/83/41/50/727834150.db2.gz SJBKLUBBHNHLDL-UHFFFAOYSA-N 1 2 293.392 1.179 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC001039001746 727837105 /nfs/dbraw/zinc/83/71/05/727837105.db2.gz FFAKUNKSATUKML-MRXNPFEDSA-N 1 2 268.360 1.613 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC001039001746 727837108 /nfs/dbraw/zinc/83/71/08/727837108.db2.gz FFAKUNKSATUKML-MRXNPFEDSA-N 1 2 268.360 1.613 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cnoc1C1CC1 ZINC001038876763 727863002 /nfs/dbraw/zinc/86/30/02/727863002.db2.gz NLKKHGHPAGAKML-NSHDSACASA-N 1 2 261.325 1.542 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cnoc1C1CC1 ZINC001038876763 727863005 /nfs/dbraw/zinc/86/30/05/727863005.db2.gz NLKKHGHPAGAKML-NSHDSACASA-N 1 2 261.325 1.542 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2sccc2F)C1 ZINC000923559588 727869959 /nfs/dbraw/zinc/86/99/59/727869959.db2.gz PHOHJFXDDLPVEZ-JTQLQIEISA-N 1 2 266.341 1.715 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2F)C1 ZINC000923559588 727869961 /nfs/dbraw/zinc/86/99/61/727869961.db2.gz PHOHJFXDDLPVEZ-JTQLQIEISA-N 1 2 266.341 1.715 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001018328544 727872281 /nfs/dbraw/zinc/87/22/81/727872281.db2.gz DXRNMWOQDIGGIZ-HTGGKVLUSA-N 1 2 298.430 1.977 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001018328544 727872284 /nfs/dbraw/zinc/87/22/84/727872284.db2.gz DXRNMWOQDIGGIZ-HTGGKVLUSA-N 1 2 298.430 1.977 20 30 CDEDLO CO[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032302244 727874029 /nfs/dbraw/zinc/87/40/29/727874029.db2.gz VCOVLJGQJKCFJE-RCBQFDQVSA-N 1 2 299.374 1.378 20 30 CDEDLO CO[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032302244 727874034 /nfs/dbraw/zinc/87/40/34/727874034.db2.gz VCOVLJGQJKCFJE-RCBQFDQVSA-N 1 2 299.374 1.378 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2=CCCC2)C1 ZINC001035336503 727875612 /nfs/dbraw/zinc/87/56/12/727875612.db2.gz XPCKMSHSXDQTCF-ZDUSSCGKSA-N 1 2 250.342 1.100 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C2=CCCC2)C1 ZINC001035336503 727875614 /nfs/dbraw/zinc/87/56/14/727875614.db2.gz XPCKMSHSXDQTCF-ZDUSSCGKSA-N 1 2 250.342 1.100 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001050981263 727879820 /nfs/dbraw/zinc/87/98/20/727879820.db2.gz FLXVHMMRTJJCRT-CQSZACIVSA-N 1 2 291.395 1.638 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001050981263 727879821 /nfs/dbraw/zinc/87/98/21/727879821.db2.gz FLXVHMMRTJJCRT-CQSZACIVSA-N 1 2 291.395 1.638 20 30 CDEDLO C=CCN1CCN(C[N@H+]2CC(C)(C)OC[C@H]2CC)C1=O ZINC000844723555 727897239 /nfs/dbraw/zinc/89/72/39/727897239.db2.gz NVUUQELRKZCZDT-CYBMUJFWSA-N 1 2 281.400 1.757 20 30 CDEDLO C=CCN1CCN(C[N@@H+]2CC(C)(C)OC[C@H]2CC)C1=O ZINC000844723555 727897240 /nfs/dbraw/zinc/89/72/40/727897240.db2.gz NVUUQELRKZCZDT-CYBMUJFWSA-N 1 2 281.400 1.757 20 30 CDEDLO Cn1c[nH+]cc1CCOC(=O)COc1ccc(C#N)cc1 ZINC000789776684 727934207 /nfs/dbraw/zinc/93/42/07/727934207.db2.gz KUCXGGZZCQJSER-UHFFFAOYSA-N 1 2 285.303 1.456 20 30 CDEDLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1CCOc1cccc(C#N)c1 ZINC000930834475 727952185 /nfs/dbraw/zinc/95/21/85/727952185.db2.gz VYATYPKYOABZIW-YNEHKIRRSA-N 1 2 287.363 1.534 20 30 CDEDLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1CCOc1cccc(C#N)c1 ZINC000930834475 727952194 /nfs/dbraw/zinc/95/21/94/727952194.db2.gz VYATYPKYOABZIW-YNEHKIRRSA-N 1 2 287.363 1.534 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1CCCC1)CO2 ZINC001053715791 727953326 /nfs/dbraw/zinc/95/33/26/727953326.db2.gz FEGHUIJXUOQCLB-CQSZACIVSA-N 1 2 278.396 1.712 20 30 CDEDLO CC(C)(C)C#CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000837309090 727988821 /nfs/dbraw/zinc/98/88/21/727988821.db2.gz ZFNQMTRHQVZKER-UHFFFAOYSA-N 1 2 271.364 1.780 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2c(F)cccc2F)CC1 ZINC000989549757 728000275 /nfs/dbraw/zinc/00/02/75/728000275.db2.gz GVUCKOUDPHWOKG-UHFFFAOYSA-N 1 2 278.302 1.746 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2c(F)cccc2F)CC1 ZINC000989549757 728000282 /nfs/dbraw/zinc/00/02/82/728000282.db2.gz GVUCKOUDPHWOKG-UHFFFAOYSA-N 1 2 278.302 1.746 20 30 CDEDLO COC(=O)[C@@](C)([NH2+]C[C@@H](O)CC1(C#N)CCC1)C1CC1 ZINC000886099989 728000639 /nfs/dbraw/zinc/00/06/39/728000639.db2.gz BPBLZDKDUGCCFZ-JSGCOSHPSA-N 1 2 280.368 1.363 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(C)s1 ZINC001038094149 728008816 /nfs/dbraw/zinc/00/88/16/728008816.db2.gz BHXFMPJZIKVDJQ-LLVKDONJSA-N 1 2 265.382 1.832 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1cnc(C)s1 ZINC001038094149 728008820 /nfs/dbraw/zinc/00/88/20/728008820.db2.gz BHXFMPJZIKVDJQ-LLVKDONJSA-N 1 2 265.382 1.832 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1coc(C)c1 ZINC001050892675 728009056 /nfs/dbraw/zinc/00/90/56/728009056.db2.gz UUFKKOXBWNPBJZ-OAHLLOKOSA-N 1 2 292.379 1.985 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1coc(C)c1 ZINC001050892675 728009061 /nfs/dbraw/zinc/00/90/61/728009061.db2.gz UUFKKOXBWNPBJZ-OAHLLOKOSA-N 1 2 292.379 1.985 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2c[nH]c3ccc(F)cc23)C1 ZINC001031010530 728013433 /nfs/dbraw/zinc/01/34/33/728013433.db2.gz ISWZABLYEABKOO-UHFFFAOYSA-N 1 2 287.338 1.836 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1CC(C)C1)O2 ZINC001053589257 728021691 /nfs/dbraw/zinc/02/16/91/728021691.db2.gz DQHGSUVMQBEMJV-NRXISQOPSA-N 1 2 292.423 1.958 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC12CC2 ZINC001017993392 728040564 /nfs/dbraw/zinc/04/05/64/728040564.db2.gz PPQQTJOLXNGRLU-MJBXVCDLSA-N 1 2 258.365 1.485 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC12CC2 ZINC001017993392 728040570 /nfs/dbraw/zinc/04/05/70/728040570.db2.gz PPQQTJOLXNGRLU-MJBXVCDLSA-N 1 2 258.365 1.485 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]cc2C2CC2)C1 ZINC001035566772 728041280 /nfs/dbraw/zinc/04/12/80/728041280.db2.gz YVESEGBRYYSMLO-CYBMUJFWSA-N 1 2 289.379 1.509 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2c[nH]cc2C2CC2)C1 ZINC001035566772 728041284 /nfs/dbraw/zinc/04/12/84/728041284.db2.gz YVESEGBRYYSMLO-CYBMUJFWSA-N 1 2 289.379 1.509 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC001030712046 728065983 /nfs/dbraw/zinc/06/59/83/728065983.db2.gz FCENNDXYSXMMBT-ZIAGYGMSSA-N 1 2 264.369 1.321 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC001039000450 728074078 /nfs/dbraw/zinc/07/40/78/728074078.db2.gz PEXFSMUZNPWUCK-CQSZACIVSA-N 1 2 278.302 1.792 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC001039000450 728074083 /nfs/dbraw/zinc/07/40/83/728074083.db2.gz PEXFSMUZNPWUCK-CQSZACIVSA-N 1 2 278.302 1.792 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncoc1CC ZINC001032325488 728084815 /nfs/dbraw/zinc/08/48/15/728084815.db2.gz LZYGZFMHEWRLLT-QWRGUYRKSA-N 1 2 261.325 1.322 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncoc1CC ZINC001032325488 728084819 /nfs/dbraw/zinc/08/48/19/728084819.db2.gz LZYGZFMHEWRLLT-QWRGUYRKSA-N 1 2 261.325 1.322 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001019332797 728089106 /nfs/dbraw/zinc/08/91/06/728089106.db2.gz YXGJDHJIAYFWIU-WFASDCNBSA-N 1 2 292.383 1.671 20 30 CDEDLO CC[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1cccc(C#N)c1O ZINC000926574331 728128940 /nfs/dbraw/zinc/12/89/40/728128940.db2.gz CAUMRVHCDJDBGF-TZMCWYRMSA-N 1 2 287.363 1.831 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nn(CC)c1C ZINC001032685854 728134311 /nfs/dbraw/zinc/13/43/11/728134311.db2.gz BEMVXFLBPDJIDF-KBPBESRZSA-N 1 2 286.379 1.052 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nn(CC)c1C ZINC001032685854 728134316 /nfs/dbraw/zinc/13/43/16/728134316.db2.gz BEMVXFLBPDJIDF-KBPBESRZSA-N 1 2 286.379 1.052 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1ccsc1C(=O)OC)C(C)C ZINC000932393081 728134924 /nfs/dbraw/zinc/13/49/24/728134924.db2.gz AORZAFHIXWANLN-UHFFFAOYSA-N 1 2 294.376 1.817 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1ccsc1C(=O)OC)C(C)C ZINC000932393081 728134942 /nfs/dbraw/zinc/13/49/42/728134942.db2.gz AORZAFHIXWANLN-UHFFFAOYSA-N 1 2 294.376 1.817 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C2CC2)nc1 ZINC001018033180 728170026 /nfs/dbraw/zinc/17/00/26/728170026.db2.gz UIVYRFLCONAGGF-GASCZTMLSA-N 1 2 298.390 1.829 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C2CC2)nc1 ZINC001018033180 728170031 /nfs/dbraw/zinc/17/00/31/728170031.db2.gz UIVYRFLCONAGGF-GASCZTMLSA-N 1 2 298.390 1.829 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccc(F)c2C)C1 ZINC001042758067 728171944 /nfs/dbraw/zinc/17/19/44/728171944.db2.gz NNONIBLSUPFFDV-UHFFFAOYSA-N 1 2 274.339 1.914 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2CC3(CC3)C2)C1 ZINC001035497504 728178424 /nfs/dbraw/zinc/17/84/24/728178424.db2.gz AYBVEXLZZXIADP-AWEZNQCLSA-N 1 2 278.396 1.570 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C2CC3(CC3)C2)C1 ZINC001035497504 728178430 /nfs/dbraw/zinc/17/84/30/728178430.db2.gz AYBVEXLZZXIADP-AWEZNQCLSA-N 1 2 278.396 1.570 20 30 CDEDLO C[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001038605955 728200015 /nfs/dbraw/zinc/20/00/15/728200015.db2.gz LHTJQNPDZHDZHF-DJIMGWMZSA-N 1 2 282.387 1.885 20 30 CDEDLO C[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001038605955 728200025 /nfs/dbraw/zinc/20/00/25/728200025.db2.gz LHTJQNPDZHDZHF-DJIMGWMZSA-N 1 2 282.387 1.885 20 30 CDEDLO Cc1cccn2cc(CCNC(=O)C#CC(C)C)[nH+]c12 ZINC000829492984 728207032 /nfs/dbraw/zinc/20/70/32/728207032.db2.gz IBADUTKHYBAOLF-UHFFFAOYSA-N 1 2 269.348 1.961 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1OCC ZINC001032761188 728219340 /nfs/dbraw/zinc/21/93/40/728219340.db2.gz KFGTUVHJANOWEE-KBPBESRZSA-N 1 2 299.374 1.402 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1OCC ZINC001032761188 728219344 /nfs/dbraw/zinc/21/93/44/728219344.db2.gz KFGTUVHJANOWEE-KBPBESRZSA-N 1 2 299.374 1.402 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(F)CC1 ZINC001032606914 728242349 /nfs/dbraw/zinc/24/23/49/728242349.db2.gz KYYFLULFOZNRBE-WUCCLRPBSA-N 1 2 278.371 1.823 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(F)CC1 ZINC001032606914 728242357 /nfs/dbraw/zinc/24/23/57/728242357.db2.gz KYYFLULFOZNRBE-WUCCLRPBSA-N 1 2 278.371 1.823 20 30 CDEDLO C=C(CNC(=O)/C=C\C[NH+]1CCOCC1)c1ccccc1 ZINC000868346946 728244133 /nfs/dbraw/zinc/24/41/33/728244133.db2.gz JAHUDVRKQQRINT-YVMONPNESA-N 1 2 286.375 1.704 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cncnc1 ZINC001024406345 728262343 /nfs/dbraw/zinc/26/23/43/728262343.db2.gz REQSMJYMXBAHPB-ZDUSSCGKSA-N 1 2 294.786 1.813 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cncnc1 ZINC001024406345 728262353 /nfs/dbraw/zinc/26/23/53/728262353.db2.gz REQSMJYMXBAHPB-ZDUSSCGKSA-N 1 2 294.786 1.813 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C)n(C)n2)C1 ZINC001032934833 728263807 /nfs/dbraw/zinc/26/38/07/728263807.db2.gz IMUDGUWILZOREI-GFCCVEGCSA-N 1 2 296.802 1.627 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)n(C)n2)C1 ZINC001032934833 728263808 /nfs/dbraw/zinc/26/38/08/728263808.db2.gz IMUDGUWILZOREI-GFCCVEGCSA-N 1 2 296.802 1.627 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001035504478 728269500 /nfs/dbraw/zinc/26/95/00/728269500.db2.gz QIRKDQCOQNAHJR-UXLLHSPISA-N 1 2 292.423 1.960 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001035504478 728269508 /nfs/dbraw/zinc/26/95/08/728269508.db2.gz QIRKDQCOQNAHJR-UXLLHSPISA-N 1 2 292.423 1.960 20 30 CDEDLO Cc1ccc(-c2nc(C=NNC3=[NH+]C[C@@H](C)N3)co2)cc1 ZINC000779793291 728288190 /nfs/dbraw/zinc/28/81/90/728288190.db2.gz RVZWDPKUGWPVHD-LLVKDONJSA-N 1 2 283.335 1.921 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC001007299941 728302982 /nfs/dbraw/zinc/30/29/82/728302982.db2.gz SIPJXWIPNMSJRL-NXEZZACHSA-N 1 2 278.730 1.975 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC001007299941 728302979 /nfs/dbraw/zinc/30/29/79/728302979.db2.gz SIPJXWIPNMSJRL-NXEZZACHSA-N 1 2 278.730 1.975 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001031464330 728310151 /nfs/dbraw/zinc/31/01/51/728310151.db2.gz OFXHGTGZSYZMJH-UHFFFAOYSA-N 1 2 299.334 1.286 20 30 CDEDLO Cn1cc([C@@H]2CN(C(=O)c3ccc(C#N)cc3)CC[NH2+]2)cn1 ZINC000913475681 728349406 /nfs/dbraw/zinc/34/94/06/728349406.db2.gz NCZVQYWIKPLRFR-HNNXBMFYSA-N 1 2 295.346 1.078 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2csc(C)c2C)C1 ZINC001030370658 728354328 /nfs/dbraw/zinc/35/43/28/728354328.db2.gz ZUSAQXLHQVMTTE-UHFFFAOYSA-N 1 2 262.378 1.802 20 30 CDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC#CC)cc1 ZINC001032555399 728356864 /nfs/dbraw/zinc/35/68/64/728356864.db2.gz LWHZYJPQXWPPOA-IRXDYDNUSA-N 1 2 278.355 1.590 20 30 CDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC#CC)cc1 ZINC001032555399 728356866 /nfs/dbraw/zinc/35/68/66/728356866.db2.gz LWHZYJPQXWPPOA-IRXDYDNUSA-N 1 2 278.355 1.590 20 30 CDEDLO C=CCCCCN1CC[NH+](CC[S@](C)=O)CC1 ZINC000828338063 728372029 /nfs/dbraw/zinc/37/20/29/728372029.db2.gz HDBLQBIAEMITNR-KRWDZBQOSA-N 1 2 258.431 1.339 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2c3c[nH]nc3CC[C@@H]2C)C1 ZINC001030697078 912565809 /nfs/dbraw/zinc/56/58/09/912565809.db2.gz IOZHJTDIHPRODY-XHDPSFHLSA-N 1 2 288.395 1.452 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cnc(CC)s2)[C@H]1C ZINC001089070139 912568943 /nfs/dbraw/zinc/56/89/43/912568943.db2.gz PGNIMSUBKAOYCY-MNOVXSKESA-N 1 2 277.393 1.531 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnc(CC)s2)[C@H]1C ZINC001089070139 912568950 /nfs/dbraw/zinc/56/89/50/912568950.db2.gz PGNIMSUBKAOYCY-MNOVXSKESA-N 1 2 277.393 1.531 20 30 CDEDLO CCOC(=O)[C@@H]1CC12CCC(N1CC[NH2+]C[C@H]1C#N)CC2 ZINC001173607922 912648953 /nfs/dbraw/zinc/64/89/53/912648953.db2.gz LOAIHZSGUXZKAO-IQXANGCESA-N 1 2 291.395 1.296 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cocn1 ZINC001272376042 912973088 /nfs/dbraw/zinc/97/30/88/912973088.db2.gz YHWSHMTVGQWTOC-OAHLLOKOSA-N 1 2 273.336 1.265 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cocn1 ZINC001272376042 912973096 /nfs/dbraw/zinc/97/30/96/912973096.db2.gz YHWSHMTVGQWTOC-OAHLLOKOSA-N 1 2 273.336 1.265 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)ccc2F)C1 ZINC001031011144 913390678 /nfs/dbraw/zinc/39/06/78/913390678.db2.gz DZVSGLKZUPKUNV-UHFFFAOYSA-N 1 2 260.312 1.571 20 30 CDEDLO C=CCO[C@H](C)C(=O)N[C@H](C)CCNc1cc[nH+]c(C)n1 ZINC001106368755 913891444 /nfs/dbraw/zinc/89/14/44/913891444.db2.gz WOTSOSLZGIGCNV-VXGBXAGGSA-N 1 2 292.383 1.683 20 30 CDEDLO COc1cc(C[NH+]2CCN(CCC#N)CC2)ccc1F ZINC001204561609 895972667 /nfs/dbraw/zinc/97/26/67/895972667.db2.gz PWKKSLLWIHAUQE-UHFFFAOYSA-N 1 2 277.343 1.866 20 30 CDEDLO C[C@H](O[NH+]=C(N)Cc1cccnc1)c1nc(C2CC2)no1 ZINC000092915162 896439957 /nfs/dbraw/zinc/43/99/57/896439957.db2.gz JIPLKJKHIZVLIF-VIFPVBQESA-N 1 2 287.323 1.935 20 30 CDEDLO C[C@@H](CCCCNCC#N)NC(=O)CCc1c[nH+]cn1C ZINC001176402478 914106548 /nfs/dbraw/zinc/10/65/48/914106548.db2.gz XSFAEYTUYKMUNZ-ZDUSSCGKSA-N 1 2 291.399 1.141 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CC12CCOCC2 ZINC001480956207 898201868 /nfs/dbraw/zinc/20/18/68/898201868.db2.gz MMBBIRWGRJNFND-GFCCVEGCSA-N 1 2 286.803 1.604 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CC12CCOCC2 ZINC001480956207 898201879 /nfs/dbraw/zinc/20/18/79/898201879.db2.gz MMBBIRWGRJNFND-GFCCVEGCSA-N 1 2 286.803 1.604 20 30 CDEDLO Cc1nc(NC[C@H](C)N(C)C(=O)[C@H](C)C#N)cc[nH+]1 ZINC001104523934 898349722 /nfs/dbraw/zinc/34/97/22/898349722.db2.gz GOBXLVBCLCMKBW-ZJUUUORDSA-N 1 2 261.329 1.204 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccns2)[C@@H]1C ZINC000993375007 914284164 /nfs/dbraw/zinc/28/41/64/914284164.db2.gz GUUATHBFLXNFAY-WDEREUQCSA-N 1 2 263.366 1.359 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccns2)[C@@H]1C ZINC000993375007 914284177 /nfs/dbraw/zinc/28/41/77/914284177.db2.gz GUUATHBFLXNFAY-WDEREUQCSA-N 1 2 263.366 1.359 20 30 CDEDLO N#Cc1ccc(NC(=O)CCn2cc[nH+]c2)c(O)c1 ZINC001176878563 914329380 /nfs/dbraw/zinc/32/93/80/914329380.db2.gz XYZIOEOGYUUPPE-UHFFFAOYSA-N 1 2 256.265 1.489 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C)C2CC2)C1 ZINC001267738672 899481328 /nfs/dbraw/zinc/48/13/28/899481328.db2.gz OORGVTFIXGFSPV-GXTWGEPZSA-N 1 2 293.411 1.058 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](CC(=O)N[C@@H](C)C2CC2)C1 ZINC001267738672 899481334 /nfs/dbraw/zinc/48/13/34/899481334.db2.gz OORGVTFIXGFSPV-GXTWGEPZSA-N 1 2 293.411 1.058 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCCOC)C[C@H]21 ZINC001176938427 914374424 /nfs/dbraw/zinc/37/44/24/914374424.db2.gz VLHFBNFEDXGBQC-HUUCEWRRSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCOC)C[C@H]21 ZINC001176938427 914374439 /nfs/dbraw/zinc/37/44/39/914374439.db2.gz VLHFBNFEDXGBQC-HUUCEWRRSA-N 1 2 296.411 1.291 20 30 CDEDLO C[C@H](c1ccccc1)[NH+]1CC(NC(=O)[C@@H](C)C#N)C1 ZINC001481550432 901192109 /nfs/dbraw/zinc/19/21/09/901192109.db2.gz PHEASRIOZDCRQZ-NWDGAFQWSA-N 1 2 257.337 1.708 20 30 CDEDLO C#CCCCC(=O)NCC[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001126356906 902237001 /nfs/dbraw/zinc/23/70/01/902237001.db2.gz RTFSFIJICGQJLZ-UHFFFAOYSA-N 1 2 291.395 1.981 20 30 CDEDLO CC(C)C[C@H](C#N)NC(=O)CN(C)c1cccc[nH+]1 ZINC001177417090 914673354 /nfs/dbraw/zinc/67/33/54/914673354.db2.gz KVOWRWLOWZARBG-GFCCVEGCSA-N 1 2 260.341 1.572 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](C)COC)C1 ZINC001268703334 902985006 /nfs/dbraw/zinc/98/50/06/902985006.db2.gz LMABSHWMVWNLNE-VIFPVBQESA-N 1 2 260.765 1.069 20 30 CDEDLO C#CCC[NH+]1CC(O)(CN(Cc2ccccc2)C(C)=O)C1 ZINC001177503702 914723416 /nfs/dbraw/zinc/72/34/16/914723416.db2.gz GEQLKLJMBDQGQZ-UHFFFAOYSA-N 1 2 286.375 1.105 20 30 CDEDLO CCC(CC)[C@H](C(=O)NCCC#N)[NH+]1CCOCC1 ZINC000427638343 904325377 /nfs/dbraw/zinc/32/53/77/904325377.db2.gz UCBZFDJXIYEWPB-CYBMUJFWSA-N 1 2 267.373 1.153 20 30 CDEDLO N#Cc1ccc(NCCCNC(=O)CCc2[nH]cc[nH+]2)nc1 ZINC001094406574 910605151 /nfs/dbraw/zinc/60/51/51/910605151.db2.gz CTMOXCMGYPAGRP-UHFFFAOYSA-N 1 2 298.350 1.227 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cn3c(n2)C[C@H](C)CC3)C1 ZINC001030516509 911961989 /nfs/dbraw/zinc/96/19/89/911961989.db2.gz HVSSCBAGRADXIX-GFCCVEGCSA-N 1 2 288.395 1.456 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@H]([NH2+]Cc2csnn2)[C@@H]1C ZINC001178802809 915630072 /nfs/dbraw/zinc/63/00/72/915630072.db2.gz VMFCOZLOCMCPJI-AAEUAGOBSA-N 1 2 294.424 1.973 20 30 CDEDLO Cc1cc(C[N@@H+](C)[C@H]2CCN(C(=O)C#CC(C)C)C2)no1 ZINC001190045826 921809069 /nfs/dbraw/zinc/80/90/69/921809069.db2.gz BRWRVGKVGGEKOW-HNNXBMFYSA-N 1 2 289.379 1.675 20 30 CDEDLO Cc1cc(C[N@H+](C)[C@H]2CCN(C(=O)C#CC(C)C)C2)no1 ZINC001190045826 921809081 /nfs/dbraw/zinc/80/90/81/921809081.db2.gz BRWRVGKVGGEKOW-HNNXBMFYSA-N 1 2 289.379 1.675 20 30 CDEDLO C=CCCC(=O)NCC[NH2+][C@H](C)c1nc(CC)no1 ZINC001124650447 936328462 /nfs/dbraw/zinc/32/84/62/936328462.db2.gz IJMYROLWYZJFBP-SNVBAGLBSA-N 1 2 266.345 1.365 20 30 CDEDLO C=CCCC(=O)NC[C@@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001097714477 936351956 /nfs/dbraw/zinc/35/19/56/936351956.db2.gz AJKKZERJOUGYAM-SNVBAGLBSA-N 1 2 292.387 1.129 20 30 CDEDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(OC)cc3C#N)C[C@@H]21 ZINC001137704450 936392948 /nfs/dbraw/zinc/39/29/48/936392948.db2.gz GENXYXMYJWKLQG-FICVDOATSA-N 1 2 286.331 1.418 20 30 CDEDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc(OC)cc3C#N)C[C@@H]21 ZINC001137704450 936392951 /nfs/dbraw/zinc/39/29/51/936392951.db2.gz GENXYXMYJWKLQG-FICVDOATSA-N 1 2 286.331 1.418 20 30 CDEDLO C=CCOCC(=O)N1CC[C@@H]([NH2+]Cc2ncc(CC)o2)C1 ZINC001181644603 917207684 /nfs/dbraw/zinc/20/76/84/917207684.db2.gz UGJJGTXJUZQNNH-GFCCVEGCSA-N 1 2 293.367 1.130 20 30 CDEDLO C#Cc1ccccc1CC(=O)N1CCOC2(C[NH+](CC)C2)C1 ZINC001053519289 936414613 /nfs/dbraw/zinc/41/46/13/936414613.db2.gz UBRRZHCFGYPLGX-UHFFFAOYSA-N 1 2 298.386 1.144 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1oncc1C)CO2 ZINC001053970437 936423793 /nfs/dbraw/zinc/42/37/93/936423793.db2.gz MGOSEMMVTNUKBN-LBPRGKRZSA-N 1 2 291.351 1.132 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCOC3)cc2C1 ZINC001054258537 936433554 /nfs/dbraw/zinc/43/35/54/936433554.db2.gz SQKXSPCRNMZNNL-OAHLLOKOSA-N 1 2 284.359 1.288 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCOC3)cc2C1 ZINC001054258537 936433555 /nfs/dbraw/zinc/43/35/55/936433555.db2.gz SQKXSPCRNMZNNL-OAHLLOKOSA-N 1 2 284.359 1.288 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)CCc1cccc(C#N)c1 ZINC001182348803 917800522 /nfs/dbraw/zinc/80/05/22/917800522.db2.gz VGQLBLSXABAXDH-UHFFFAOYSA-N 1 2 282.347 1.583 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc3[nH]cnc3c2)CC1 ZINC001182842993 918150880 /nfs/dbraw/zinc/15/08/80/918150880.db2.gz CTMNAGQJZLOPDZ-UHFFFAOYSA-N 1 2 284.363 1.436 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc3nc[nH]c3c2)CC1 ZINC001182842993 918150888 /nfs/dbraw/zinc/15/08/88/918150888.db2.gz CTMNAGQJZLOPDZ-UHFFFAOYSA-N 1 2 284.363 1.436 20 30 CDEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001182893600 918205170 /nfs/dbraw/zinc/20/51/70/918205170.db2.gz KNEGPEWSGQBJIC-LLVKDONJSA-N 1 2 294.424 1.831 20 30 CDEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001182897894 918206075 /nfs/dbraw/zinc/20/60/75/918206075.db2.gz KBTDQHIXZUWCHS-LLVKDONJSA-N 1 2 294.424 1.831 20 30 CDEDLO N#Cc1ccc(NC/C=C/CNC(=O)Cc2[nH]cc[nH+]2)nc1 ZINC001107312802 918321492 /nfs/dbraw/zinc/32/14/92/918321492.db2.gz WJOKUBHWJIJPDW-OWOJBTEDSA-N 1 2 296.334 1.003 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC2CC2)C1 ZINC001107682623 918612505 /nfs/dbraw/zinc/61/25/05/918612505.db2.gz XODQPPFHXMBGEM-AWEZNQCLSA-N 1 2 252.358 1.180 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CC2CC2)C1 ZINC001107682623 918612516 /nfs/dbraw/zinc/61/25/16/918612516.db2.gz XODQPPFHXMBGEM-AWEZNQCLSA-N 1 2 252.358 1.180 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cccc(C)n2)C1 ZINC001107748229 918727967 /nfs/dbraw/zinc/72/79/67/918727967.db2.gz NBTRNVFEZDYJNM-INIZCTEOSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cccc(C)n2)C1 ZINC001107748229 918727975 /nfs/dbraw/zinc/72/79/75/918727975.db2.gz NBTRNVFEZDYJNM-INIZCTEOSA-N 1 2 289.379 1.397 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CSCCC)C1 ZINC001107775070 918766333 /nfs/dbraw/zinc/76/63/33/918766333.db2.gz ORGDVUSVZXYZKW-HNNXBMFYSA-N 1 2 298.452 1.360 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CSCCC)C1 ZINC001107775070 918766339 /nfs/dbraw/zinc/76/63/39/918766339.db2.gz ORGDVUSVZXYZKW-HNNXBMFYSA-N 1 2 298.452 1.360 20 30 CDEDLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142922874 918979911 /nfs/dbraw/zinc/97/99/11/918979911.db2.gz ZHRGZECRUFJQER-NSHDSACASA-N 1 2 282.347 1.702 20 30 CDEDLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142922874 918979922 /nfs/dbraw/zinc/97/99/22/918979922.db2.gz ZHRGZECRUFJQER-NSHDSACASA-N 1 2 282.347 1.702 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C#CC(C)C)C1 ZINC001107927675 919053953 /nfs/dbraw/zinc/05/39/53/919053953.db2.gz ZGGUIFICDBGZEC-OAHLLOKOSA-N 1 2 264.369 1.039 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C#CC(C)C)C1 ZINC001107927675 919053971 /nfs/dbraw/zinc/05/39/71/919053971.db2.gz ZGGUIFICDBGZEC-OAHLLOKOSA-N 1 2 264.369 1.039 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)=C2CCC2)C1 ZINC001107931061 919068666 /nfs/dbraw/zinc/06/86/66/919068666.db2.gz UZKQPQKOQWTIOR-KRWDZBQOSA-N 1 2 290.407 1.717 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)=C2CCC2)C1 ZINC001107931061 919068679 /nfs/dbraw/zinc/06/86/79/919068679.db2.gz UZKQPQKOQWTIOR-KRWDZBQOSA-N 1 2 290.407 1.717 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1nc(C)cs1 ZINC001032522402 919333004 /nfs/dbraw/zinc/33/30/04/919333004.db2.gz DKXXRCMSFKAIHD-STQMWFEESA-N 1 2 289.404 1.302 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1nc(C)cs1 ZINC001032522402 919333021 /nfs/dbraw/zinc/33/30/21/919333021.db2.gz DKXXRCMSFKAIHD-STQMWFEESA-N 1 2 289.404 1.302 20 30 CDEDLO C=CC[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)OCC)C1)C(=O)OC ZINC001255342271 936609919 /nfs/dbraw/zinc/60/99/19/936609919.db2.gz HDZJLSFXRUJKQR-UPJWGTAASA-N 1 2 283.368 1.816 20 30 CDEDLO C=CCN1C(=O)COCC12C[NH+](Cc1cc(C)cs1)C2 ZINC001272872935 919932077 /nfs/dbraw/zinc/93/20/77/919932077.db2.gz YEKNNNZKBKFRKL-UHFFFAOYSA-N 1 2 292.404 1.656 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CCCO1 ZINC001139530984 936626638 /nfs/dbraw/zinc/62/66/38/936626638.db2.gz ZVVXXTVXFVOKCH-AWEZNQCLSA-N 1 2 292.310 1.461 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CCCO1 ZINC001139530984 936626639 /nfs/dbraw/zinc/62/66/39/936626639.db2.gz ZVVXXTVXFVOKCH-AWEZNQCLSA-N 1 2 292.310 1.461 20 30 CDEDLO Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)cc1C#N ZINC001139725013 936639825 /nfs/dbraw/zinc/63/98/25/936639825.db2.gz ZGMPEKHXKJSICL-BHYGNILZSA-N 1 2 286.375 1.838 20 30 CDEDLO Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)cc1C#N ZINC001139725013 936639826 /nfs/dbraw/zinc/63/98/26/936639826.db2.gz ZGMPEKHXKJSICL-BHYGNILZSA-N 1 2 286.375 1.838 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2[nH]ncc2F)CC[C@H]1C ZINC001071800592 936692219 /nfs/dbraw/zinc/69/22/19/936692219.db2.gz YOQLOPIDXBSTDH-MNOVXSKESA-N 1 2 280.347 1.708 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2[nH]ncc2F)CC[C@H]1C ZINC001071800592 936692220 /nfs/dbraw/zinc/69/22/20/936692220.db2.gz YOQLOPIDXBSTDH-MNOVXSKESA-N 1 2 280.347 1.708 20 30 CDEDLO C=CC[N@H+]1CCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001072757870 936709555 /nfs/dbraw/zinc/70/95/55/936709555.db2.gz ZKVTZAXFBZQWRY-SECBINFHSA-N 1 2 280.265 1.607 20 30 CDEDLO C=CC[N@@H+]1CCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001072757870 936709556 /nfs/dbraw/zinc/70/95/56/936709556.db2.gz ZKVTZAXFBZQWRY-SECBINFHSA-N 1 2 280.265 1.607 20 30 CDEDLO C=CC[N@H+]1CCC2(CN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001072757870 936709557 /nfs/dbraw/zinc/70/95/57/936709557.db2.gz ZKVTZAXFBZQWRY-SECBINFHSA-N 1 2 280.265 1.607 20 30 CDEDLO C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001072757870 936709558 /nfs/dbraw/zinc/70/95/58/936709558.db2.gz ZKVTZAXFBZQWRY-SECBINFHSA-N 1 2 280.265 1.607 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)CC(F)F)C1 ZINC001108077891 921923115 /nfs/dbraw/zinc/92/31/15/921923115.db2.gz BRFXABNWXAFOQN-BXUZGUMPSA-N 1 2 290.354 1.671 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)CC(F)F)C1 ZINC001108077891 921923123 /nfs/dbraw/zinc/92/31/23/921923123.db2.gz BRFXABNWXAFOQN-BXUZGUMPSA-N 1 2 290.354 1.671 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3cccnc3)CC2)cn1 ZINC001140540068 936721857 /nfs/dbraw/zinc/72/18/57/936721857.db2.gz IGDAZOFXUUFKDA-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(C)co2)C1 ZINC001108145612 922770042 /nfs/dbraw/zinc/77/00/42/922770042.db2.gz MYBHPULODUYRST-OAHLLOKOSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(C)co2)C1 ZINC001108145612 922770051 /nfs/dbraw/zinc/77/00/51/922770051.db2.gz MYBHPULODUYRST-OAHLLOKOSA-N 1 2 278.352 1.595 20 30 CDEDLO CC#CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccon2)C1 ZINC001191837803 922788598 /nfs/dbraw/zinc/78/85/98/922788598.db2.gz DKUGIRHBVKYIEU-OAHLLOKOSA-N 1 2 289.379 1.901 20 30 CDEDLO CC#CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccon2)C1 ZINC001191837803 922788609 /nfs/dbraw/zinc/78/86/09/922788609.db2.gz DKUGIRHBVKYIEU-OAHLLOKOSA-N 1 2 289.379 1.901 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)c[nH]2)C1 ZINC001035292128 922950869 /nfs/dbraw/zinc/95/08/69/922950869.db2.gz FSNWVMKKIXANCW-NSHDSACASA-N 1 2 283.759 1.285 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)c[nH]2)C1 ZINC001035292128 922950880 /nfs/dbraw/zinc/95/08/80/922950880.db2.gz FSNWVMKKIXANCW-NSHDSACASA-N 1 2 283.759 1.285 20 30 CDEDLO COCCn1c[nH+]cc1CNC(=O)c1cnc(C)c(C#N)c1 ZINC001192299838 922977561 /nfs/dbraw/zinc/97/75/61/922977561.db2.gz GBMNOFPWTKCJPI-UHFFFAOYSA-N 1 2 299.334 1.035 20 30 CDEDLO C[C@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)CC#N)CC1 ZINC001192960916 923339196 /nfs/dbraw/zinc/33/91/96/923339196.db2.gz GSIUYJGOKDUGGJ-CYBMUJFWSA-N 1 2 293.392 1.219 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)CC)C1 ZINC001108172064 923560591 /nfs/dbraw/zinc/56/05/91/923560591.db2.gz ZEIKNNPSYPIXRQ-HNNXBMFYSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)CC)C1 ZINC001108172064 923560599 /nfs/dbraw/zinc/56/05/99/923560599.db2.gz ZEIKNNPSYPIXRQ-HNNXBMFYSA-N 1 2 268.401 1.816 20 30 CDEDLO C[N@@H+]1CCC[C@H]1CCNC(=O)c1cccc(C#N)c1O ZINC001193657673 923845675 /nfs/dbraw/zinc/84/56/75/923845675.db2.gz BBXKKYGWKNHDLR-LBPRGKRZSA-N 1 2 273.336 1.478 20 30 CDEDLO C[N@H+]1CCC[C@H]1CCNC(=O)c1cccc(C#N)c1O ZINC001193657673 923845683 /nfs/dbraw/zinc/84/56/83/923845683.db2.gz BBXKKYGWKNHDLR-LBPRGKRZSA-N 1 2 273.336 1.478 20 30 CDEDLO C=CCOC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC001194287273 924163086 /nfs/dbraw/zinc/16/30/86/924163086.db2.gz VRLANVLKONYZNX-UHFFFAOYSA-N 1 2 261.325 1.916 20 30 CDEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@@H](C)C1)C(=O)OC ZINC000839168800 936907327 /nfs/dbraw/zinc/90/73/27/936907327.db2.gz MVXYPLSKUNPDKA-CRWXNKLISA-N 1 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/nfs/dbraw/zinc/77/05/46/924770546.db2.gz RJMUXBIOMAUQFX-BJLPKZDCSA-N 1 2 298.814 1.647 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(C)CC=CCC2)[C@H](OC)C1 ZINC001081730904 924783384 /nfs/dbraw/zinc/78/33/84/924783384.db2.gz RGQKYHZYGBMFLU-FMKPAKJESA-N 1 2 276.380 1.181 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@]2(C)CC=CCC2)[C@H](OC)C1 ZINC001081730904 924783392 /nfs/dbraw/zinc/78/33/92/924783392.db2.gz RGQKYHZYGBMFLU-FMKPAKJESA-N 1 2 276.380 1.181 20 30 CDEDLO CCCN(CCNC(=O)C#CC(C)C)c1cc[nH+]c(C)n1 ZINC001101140391 936960212 /nfs/dbraw/zinc/96/02/12/936960212.db2.gz AHFQFYGNMJRMTJ-UHFFFAOYSA-N 1 2 288.395 1.777 20 30 CDEDLO Cn1c(CC#N)nnc1SCc1ccc[nH+]c1N ZINC001119286749 925052389 /nfs/dbraw/zinc/05/23/89/925052389.db2.gz YRTHVIWVBBVMPM-UHFFFAOYSA-N 1 2 260.326 1.151 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cnc(C)s3)[C@@H]2C1 ZINC001084223949 925194818 /nfs/dbraw/zinc/19/48/18/925194818.db2.gz LXPKOQOCAMOAKB-VXGBXAGGSA-N 1 2 275.377 1.231 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc(C)s3)[C@@H]2C1 ZINC001084223949 925194823 /nfs/dbraw/zinc/19/48/23/925194823.db2.gz LXPKOQOCAMOAKB-VXGBXAGGSA-N 1 2 275.377 1.231 20 30 CDEDLO Cc1nc(NC[C@]2(C)CCN(C(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001065398436 925753317 /nfs/dbraw/zinc/75/33/17/925753317.db2.gz PLJORUNXVQKWGR-ABAIWWIYSA-N 1 2 287.367 1.595 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)on1 ZINC001085474372 926035756 /nfs/dbraw/zinc/03/57/56/926035756.db2.gz AEXBFOGNZKGMTN-LBPRGKRZSA-N 1 2 261.325 1.153 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)on1 ZINC001085474372 926035766 /nfs/dbraw/zinc/03/57/66/926035766.db2.gz AEXBFOGNZKGMTN-LBPRGKRZSA-N 1 2 261.325 1.153 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnccc1C ZINC001085529368 926118002 /nfs/dbraw/zinc/11/80/02/926118002.db2.gz WQBBSMRUVXVBDB-CYBMUJFWSA-N 1 2 257.337 1.170 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnccc1C ZINC001085529368 926118007 /nfs/dbraw/zinc/11/80/07/926118007.db2.gz WQBBSMRUVXVBDB-CYBMUJFWSA-N 1 2 257.337 1.170 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]cc2ncnc1-2 ZINC001085610628 926213346 /nfs/dbraw/zinc/21/33/46/926213346.db2.gz XXQKCFKYRNYGRT-LLVKDONJSA-N 1 2 285.351 1.290 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]cc2ncnc1-2 ZINC001085610628 926213356 /nfs/dbraw/zinc/21/33/56/926213356.db2.gz XXQKCFKYRNYGRT-LLVKDONJSA-N 1 2 285.351 1.290 20 30 CDEDLO C#Cc1nc(Br)cnc1Nc1ccc(N)[nH+]c1 ZINC001201276631 926251813 /nfs/dbraw/zinc/25/18/13/926251813.db2.gz YVXVBFLEBCCKTA-UHFFFAOYSA-N 1 2 290.124 1.941 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)onc1C1CC1 ZINC001085727921 926328512 /nfs/dbraw/zinc/32/85/12/926328512.db2.gz LHNVQBJJIOCGAP-CYBMUJFWSA-N 1 2 287.363 1.640 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)onc1C1CC1 ZINC001085727921 926328519 /nfs/dbraw/zinc/32/85/19/926328519.db2.gz LHNVQBJJIOCGAP-CYBMUJFWSA-N 1 2 287.363 1.640 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2ccccc2nn1 ZINC001085755260 926362278 /nfs/dbraw/zinc/36/22/78/926362278.db2.gz BAIFTOQVEZAJEW-AWEZNQCLSA-N 1 2 294.358 1.409 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2ccccc2nn1 ZINC001085755260 926362288 /nfs/dbraw/zinc/36/22/88/926362288.db2.gz BAIFTOQVEZAJEW-AWEZNQCLSA-N 1 2 294.358 1.409 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(CC)n1 ZINC001085855148 926458949 /nfs/dbraw/zinc/45/89/49/926458949.db2.gz QSLFRNSQQPMNSQ-CYBMUJFWSA-N 1 2 274.368 1.073 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(CC)n1 ZINC001085855148 926458955 /nfs/dbraw/zinc/45/89/55/926458955.db2.gz QSLFRNSQQPMNSQ-CYBMUJFWSA-N 1 2 274.368 1.073 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2c(c1)COC2 ZINC001085867149 926464543 /nfs/dbraw/zinc/46/45/43/926464543.db2.gz DBSDCQWDALRULY-MRXNPFEDSA-N 1 2 284.359 1.496 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2c(c1)COC2 ZINC001085867149 926464547 /nfs/dbraw/zinc/46/45/47/926464547.db2.gz DBSDCQWDALRULY-MRXNPFEDSA-N 1 2 284.359 1.496 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn(C(C)C)c1C ZINC001085918049 926502130 /nfs/dbraw/zinc/50/21/30/926502130.db2.gz SEBWVNGQXIHTDU-AWEZNQCLSA-N 1 2 288.395 1.552 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(C(C)C)c1C ZINC001085918049 926502139 /nfs/dbraw/zinc/50/21/39/926502139.db2.gz SEBWVNGQXIHTDU-AWEZNQCLSA-N 1 2 288.395 1.552 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn(C)c1C(F)F ZINC001085917831 926503172 /nfs/dbraw/zinc/50/31/72/926503172.db2.gz LDBYBLYOXBYCTO-JTQLQIEISA-N 1 2 296.321 1.137 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(C)c1C(F)F ZINC001085917831 926503179 /nfs/dbraw/zinc/50/31/79/926503179.db2.gz LDBYBLYOXBYCTO-JTQLQIEISA-N 1 2 296.321 1.137 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(-c2ccoc2)n[nH]1 ZINC001085970314 926555109 /nfs/dbraw/zinc/55/51/09/926555109.db2.gz XDGPCDZAKCKYHR-CYBMUJFWSA-N 1 2 298.346 1.449 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(-c2ccoc2)n[nH]1 ZINC001085970314 926555116 /nfs/dbraw/zinc/55/51/16/926555116.db2.gz XDGPCDZAKCKYHR-CYBMUJFWSA-N 1 2 298.346 1.449 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCCC)C1 ZINC001490559242 927232027 /nfs/dbraw/zinc/23/20/27/927232027.db2.gz VMFYDCUVIYTFKW-BBRMVZONSA-N 1 2 295.427 1.305 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@H+](CC(=O)NCCC)C1 ZINC001490559242 927232039 /nfs/dbraw/zinc/23/20/39/927232039.db2.gz VMFYDCUVIYTFKW-BBRMVZONSA-N 1 2 295.427 1.305 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)C)C1 ZINC001108356665 927432062 /nfs/dbraw/zinc/43/20/62/927432062.db2.gz KSPQSDALOAWANV-CQSZACIVSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)C)C1 ZINC001108356665 927432069 /nfs/dbraw/zinc/43/20/69/927432069.db2.gz KSPQSDALOAWANV-CQSZACIVSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(Cl)no2)C1 ZINC001108357759 927432546 /nfs/dbraw/zinc/43/25/46/927432546.db2.gz CHRUOTRIUOOEDY-ZDUSSCGKSA-N 1 2 299.758 1.335 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(Cl)no2)C1 ZINC001108357759 927432556 /nfs/dbraw/zinc/43/25/56/927432556.db2.gz CHRUOTRIUOOEDY-ZDUSSCGKSA-N 1 2 299.758 1.335 20 30 CDEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)CC(C)C)CC2=O)C1 ZINC001108499478 928141382 /nfs/dbraw/zinc/14/13/82/928141382.db2.gz FOADGWFOPGRXCL-CYBMUJFWSA-N 1 2 293.411 1.010 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)OCC)C2 ZINC001108970425 928749313 /nfs/dbraw/zinc/74/93/13/928749313.db2.gz XFZNJSNTIZUZLB-RNJOBUHISA-N 1 2 286.803 1.885 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)OCC)C2 ZINC001108970425 928749324 /nfs/dbraw/zinc/74/93/24/928749324.db2.gz XFZNJSNTIZUZLB-RNJOBUHISA-N 1 2 286.803 1.885 20 30 CDEDLO CN(CCCNc1ncccc1C#N)C(=O)Cc1[nH]cc[nH+]1 ZINC001109506505 928955696 /nfs/dbraw/zinc/95/56/96/928955696.db2.gz JUTJHXUDDJYBMR-UHFFFAOYSA-N 1 2 298.350 1.179 20 30 CDEDLO C=C[C@@](C)(O)C[NH2+][C@@H](C)C(=O)OCc1ccccc1 ZINC001252571650 929445804 /nfs/dbraw/zinc/44/58/04/929445804.db2.gz BBCLBVAEAUJPIR-SWLSCSKDSA-N 1 2 263.337 1.645 20 30 CDEDLO Cc1nc(N[C@H](C)[C@@H](C)NC(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001112974491 929616253 /nfs/dbraw/zinc/61/62/53/929616253.db2.gz YPYFLIIYMAEFAY-NXEZZACHSA-N 1 2 298.350 1.604 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001134428686 929731931 /nfs/dbraw/zinc/73/19/31/929731931.db2.gz WYXDCAPTPBMQNX-SNVBAGLBSA-N 1 2 280.372 1.747 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2sccc2F)CC1 ZINC000815185411 929959491 /nfs/dbraw/zinc/95/94/91/929959491.db2.gz GRKLQUHREKZRGO-UHFFFAOYSA-N 1 2 266.341 1.668 20 30 CDEDLO Cc1nc(NC[C@@H](C2CC2)N(C)C(=O)[C@H](C)C#N)cc[nH+]1 ZINC001115492155 937383342 /nfs/dbraw/zinc/38/33/42/937383342.db2.gz UEPMGNRNTUYAFK-MFKMUULPSA-N 1 2 287.367 1.594 20 30 CDEDLO C=CC1(CC(=O)NCC[NH2+]Cc2cnon2)CCCCC1 ZINC001135197005 930095222 /nfs/dbraw/zinc/09/52/22/930095222.db2.gz SMSWDJQFRPLITB-UHFFFAOYSA-N 1 2 292.383 1.802 20 30 CDEDLO C=CCNC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001202570276 930317771 /nfs/dbraw/zinc/31/77/71/930317771.db2.gz OMGDGPQJOZWRGY-UHFFFAOYSA-N 1 2 288.395 1.742 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000884136498 930455633 /nfs/dbraw/zinc/45/56/33/930455633.db2.gz OCBFQYUBFFSTAR-ZOBORPQBSA-N 1 2 294.395 1.613 20 30 CDEDLO C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136036871 930615016 /nfs/dbraw/zinc/61/50/16/930615016.db2.gz ZKEFXBUFJSSRIM-RYUDHWBXSA-N 1 2 278.400 1.710 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@H]1CCc2cccc(Cl)c2C1 ZINC001170920503 930750047 /nfs/dbraw/zinc/75/00/47/930750047.db2.gz SAKOHRGMIWHFRD-STQMWFEESA-N 1 2 275.783 1.995 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC001116401016 937446873 /nfs/dbraw/zinc/44/68/73/937446873.db2.gz BBQSTFFFFFBJRN-UHFFFAOYSA-N 1 2 289.310 1.957 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC001116401016 937446875 /nfs/dbraw/zinc/44/68/75/937446875.db2.gz BBQSTFFFFFBJRN-UHFFFAOYSA-N 1 2 289.310 1.957 20 30 CDEDLO C=CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2nccs2)CC1 ZINC000886772524 930957218 /nfs/dbraw/zinc/95/72/18/930957218.db2.gz ZUMIOZJYEATFEE-LLVKDONJSA-N 1 2 295.408 1.873 20 30 CDEDLO C#CCC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCC1 ZINC000886797784 930960775 /nfs/dbraw/zinc/96/07/75/930960775.db2.gz AWVKSVNLVCKPCB-LBPRGKRZSA-N 1 2 257.337 1.508 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1nc(C#N)cs1 ZINC000887977779 931268155 /nfs/dbraw/zinc/26/81/55/931268155.db2.gz VVLZWVZNPOZOES-MRVPVSSYSA-N 1 2 275.337 1.233 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1nc(C#N)cs1 ZINC000887977779 931268166 /nfs/dbraw/zinc/26/81/66/931268166.db2.gz VVLZWVZNPOZOES-MRVPVSSYSA-N 1 2 275.337 1.233 20 30 CDEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1nnc(C)s1 ZINC001274520488 931506182 /nfs/dbraw/zinc/50/61/82/931506182.db2.gz DIWGBFUGOPLSJT-VXGBXAGGSA-N 1 2 290.392 1.045 20 30 CDEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1nnc(C)s1 ZINC001274520488 931506184 /nfs/dbraw/zinc/50/61/84/931506184.db2.gz DIWGBFUGOPLSJT-VXGBXAGGSA-N 1 2 290.392 1.045 20 30 CDEDLO C=C(C)CN1C[C@@]2(CCN(c3cccc[nH+]3)C2)OCC1=O ZINC001274739630 931563264 /nfs/dbraw/zinc/56/32/64/931563264.db2.gz MAVWKBBSNWSLAA-INIZCTEOSA-N 1 2 287.363 1.465 20 30 CDEDLO Cc1noc([C@H](C)[N@H+](C)C[C@H](O)c2ccc(C#N)cc2)n1 ZINC000844363358 931590394 /nfs/dbraw/zinc/59/03/94/931590394.db2.gz RZCKXKIXFSGNAH-HZMBPMFUSA-N 1 2 286.335 1.976 20 30 CDEDLO Cc1noc([C@H](C)[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)n1 ZINC000844363358 931590397 /nfs/dbraw/zinc/59/03/97/931590397.db2.gz RZCKXKIXFSGNAH-HZMBPMFUSA-N 1 2 286.335 1.976 20 30 CDEDLO N#Cc1ccc(C[NH+]2CC3(C2)C[C@@H](F)CS3)nc1 ZINC001144163397 931678286 /nfs/dbraw/zinc/67/82/86/931678286.db2.gz GFRMMMXSAXGDHY-LLVKDONJSA-N 1 2 263.341 1.983 20 30 CDEDLO Cc1nc(N[C@H]2C[C@@H](CNC(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001091324533 932102698 /nfs/dbraw/zinc/10/26/98/932102698.db2.gz YEXCWXCMLPKIJJ-ZMLRMANQSA-N 1 2 273.340 1.251 20 30 CDEDLO Cc1nc(N[C@H]2C[C@H](CNC(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001091453030 932192598 /nfs/dbraw/zinc/19/25/98/932192598.db2.gz WKYACJCHDHKKEG-HDJSIYSDSA-N 1 2 286.379 1.751 20 30 CDEDLO N#CCCCC[N@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933327404 933808676 /nfs/dbraw/zinc/80/86/76/933808676.db2.gz RZYRWYPODHDJJP-CQSZACIVSA-N 1 2 257.337 1.853 20 30 CDEDLO N#CCCCC[N@@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933327404 933808687 /nfs/dbraw/zinc/80/86/87/933808687.db2.gz RZYRWYPODHDJJP-CQSZACIVSA-N 1 2 257.337 1.853 20 30 CDEDLO Cc1nc(N2C[C@@H]3CN(C(=O)C#CC(C)C)C[C@@H]3C2)cc[nH+]1 ZINC001111295859 934519737 /nfs/dbraw/zinc/51/97/37/934519737.db2.gz JXMGFPGNQXIRID-GASCZTMLSA-N 1 2 298.390 1.339 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C)C2 ZINC001111307689 934547959 /nfs/dbraw/zinc/54/79/59/934547959.db2.gz RFCBNVVNAJRRTB-UPJWGTAASA-N 1 2 293.411 1.056 20 30 CDEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C)C2 ZINC001111307689 934547968 /nfs/dbraw/zinc/54/79/68/934547968.db2.gz RFCBNVVNAJRRTB-UPJWGTAASA-N 1 2 293.411 1.056 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001114897240 935298675 /nfs/dbraw/zinc/29/86/75/935298675.db2.gz XAQCGCBZNCVMSJ-WDNDVIMCSA-N 1 2 289.379 1.823 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001114897240 935298678 /nfs/dbraw/zinc/29/86/78/935298678.db2.gz XAQCGCBZNCVMSJ-WDNDVIMCSA-N 1 2 289.379 1.823 20 30 CDEDLO Cc1cncc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H](C)C#N)c1 ZINC001017422882 935638684 /nfs/dbraw/zinc/63/86/84/935638684.db2.gz PAHSPIXQUZKPOP-BMFZPTHFSA-N 1 2 298.390 1.725 20 30 CDEDLO Cc1cncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H](C)C#N)c1 ZINC001017422882 935638685 /nfs/dbraw/zinc/63/86/85/935638685.db2.gz PAHSPIXQUZKPOP-BMFZPTHFSA-N 1 2 298.390 1.725 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COc2ccccc21 ZINC001018339603 935664822 /nfs/dbraw/zinc/66/48/22/935664822.db2.gz VTEZHWYNYXTCQB-LZWOXQAQSA-N 1 2 296.370 1.471 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COc2ccccc21 ZINC001018339603 935664826 /nfs/dbraw/zinc/66/48/26/935664826.db2.gz VTEZHWYNYXTCQB-LZWOXQAQSA-N 1 2 296.370 1.471 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001038592709 935750616 /nfs/dbraw/zinc/75/06/16/935750616.db2.gz MCRHZMLCYUEPGC-CQSZACIVSA-N 1 2 281.359 1.914 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001038592709 935750617 /nfs/dbraw/zinc/75/06/17/935750617.db2.gz MCRHZMLCYUEPGC-CQSZACIVSA-N 1 2 281.359 1.914 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC001038729955 935754841 /nfs/dbraw/zinc/75/48/41/935754841.db2.gz VTVUQHFKIOVRNZ-SNVBAGLBSA-N 1 2 282.265 1.541 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC001038729955 935754846 /nfs/dbraw/zinc/75/48/46/935754846.db2.gz VTVUQHFKIOVRNZ-SNVBAGLBSA-N 1 2 282.265 1.541 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccncc1Cl ZINC001038735316 935755022 /nfs/dbraw/zinc/75/50/22/935755022.db2.gz GZBNYKZKSJFLIZ-NSHDSACASA-N 1 2 277.755 1.562 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccncc1Cl ZINC001038735316 935755024 /nfs/dbraw/zinc/75/50/24/935755024.db2.gz GZBNYKZKSJFLIZ-NSHDSACASA-N 1 2 277.755 1.562 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncc(Cl)cc1Cl ZINC001038856431 935760338 /nfs/dbraw/zinc/76/03/38/935760338.db2.gz ZHDIMZSRIRDQTO-SNVBAGLBSA-N 1 2 298.173 1.826 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncc(Cl)cc1Cl ZINC001038856431 935760340 /nfs/dbraw/zinc/76/03/40/935760340.db2.gz ZHDIMZSRIRDQTO-SNVBAGLBSA-N 1 2 298.173 1.826 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccn2CC)C1 ZINC001044299714 935856923 /nfs/dbraw/zinc/85/69/23/935856923.db2.gz AJSKVWYWPBXTDV-UHFFFAOYSA-N 1 2 259.353 1.288 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Cl)no1)C2 ZINC001096398591 936063846 /nfs/dbraw/zinc/06/38/46/936063846.db2.gz FNYGFIRQXUGXLW-UTLUCORTSA-N 1 2 279.727 1.296 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Cl)no1)C2 ZINC001096398591 936063850 /nfs/dbraw/zinc/06/38/50/936063850.db2.gz FNYGFIRQXUGXLW-UTLUCORTSA-N 1 2 279.727 1.296 20 30 CDEDLO 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C[C@@]1(C#N)CC[N@@H+](C[C@@H](O)COc2cccc(F)c2)C1 ZINC001250809094 950391877 /nfs/dbraw/zinc/39/18/77/950391877.db2.gz DUCXKLCIKHGDHL-HIFRSBDPSA-N 1 2 278.327 1.801 20 30 CDEDLO O=C1C=C2C[N@H+](C[C@@H](O)C(F)(F)F)CC[C@H]2S1 ZINC001250966192 950495527 /nfs/dbraw/zinc/49/55/27/950495527.db2.gz UEKQZIZDHQGTQU-HTQZYQBOSA-N 1 2 267.272 1.184 20 30 CDEDLO O=C1C=C2C[N@@H+](C[C@@H](O)C(F)(F)F)CC[C@H]2S1 ZINC001250966192 950495532 /nfs/dbraw/zinc/49/55/32/950495532.db2.gz UEKQZIZDHQGTQU-HTQZYQBOSA-N 1 2 267.272 1.184 20 30 CDEDLO C#CCOC[C@@H](O)C[NH2+]C1(C(=O)OC)CCC(CC)CC1 ZINC001251893893 950927764 /nfs/dbraw/zinc/92/77/64/950927764.db2.gz MOIPWLKTQDAYLF-BBBYJDLNSA-N 1 2 297.395 1.099 20 30 CDEDLO C=C[C@@H](O)C[NH2+]C1(c2ccccc2Cl)COC1 ZINC001253607037 951993150 /nfs/dbraw/zinc/99/31/50/951993150.db2.gz QQDAZPUIQOPLOE-SNVBAGLBSA-N 1 2 253.729 1.702 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1csc(C)n1 ZINC001493279279 972005233 /nfs/dbraw/zinc/00/52/33/972005233.db2.gz 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Cc1nocc1C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001437505147 962967821 /nfs/dbraw/zinc/96/78/21/962967821.db2.gz BZSWGMGCCUKBIP-UHFFFAOYSA-N 1 2 298.346 1.717 20 30 CDEDLO Cc1nocc1C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001437505147 962967830 /nfs/dbraw/zinc/96/78/30/962967830.db2.gz BZSWGMGCCUKBIP-UHFFFAOYSA-N 1 2 298.346 1.717 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC[N@H+](Cc1ccns1)C1CC1 ZINC001437778117 963175546 /nfs/dbraw/zinc/17/55/46/963175546.db2.gz KQFWHFJTJHLIKS-JTQLQIEISA-N 1 2 278.381 1.383 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](Cc1ccns1)C1CC1 ZINC001437778117 963175550 /nfs/dbraw/zinc/17/55/50/963175550.db2.gz KQFWHFJTJHLIKS-JTQLQIEISA-N 1 2 278.381 1.383 20 30 CDEDLO Cn1cccc1C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001442359125 965006759 /nfs/dbraw/zinc/00/67/59/965006759.db2.gz SPTAPCRIPMFBRR-UHFFFAOYSA-N 1 2 296.374 1.759 20 30 CDEDLO Cn1cccc1C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001442359125 965006771 /nfs/dbraw/zinc/00/67/71/965006771.db2.gz SPTAPCRIPMFBRR-UHFFFAOYSA-N 1 2 296.374 1.759 20 30 CDEDLO C=C(CC)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC001346972946 965318033 /nfs/dbraw/zinc/31/80/33/965318033.db2.gz QCEAHHFXZWXACC-QWHCGFSZSA-N 1 2 252.358 1.274 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1c[nH]nc1CC)C1CC1 ZINC001443007919 965318465 /nfs/dbraw/zinc/31/84/65/965318465.db2.gz AXQXTOFUEZBELZ-UHFFFAOYSA-N 1 2 296.802 1.919 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1c[nH]nc1CC)C1CC1 ZINC001443007919 965318481 /nfs/dbraw/zinc/31/84/81/965318481.db2.gz AXQXTOFUEZBELZ-UHFFFAOYSA-N 1 2 296.802 1.919 20 30 CDEDLO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC[N@@H+]2C)n1CC1CC1 ZINC001347951789 965761374 /nfs/dbraw/zinc/76/13/74/965761374.db2.gz RLISAIIOQVZXHD-OCCSQVGLSA-N 1 2 287.411 1.913 20 30 CDEDLO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC[N@H+]2C)n1CC1CC1 ZINC001347951789 965761379 /nfs/dbraw/zinc/76/13/79/965761379.db2.gz RLISAIIOQVZXHD-OCCSQVGLSA-N 1 2 287.411 1.913 20 30 CDEDLO C=CCN(CC=C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001349468034 966357113 /nfs/dbraw/zinc/35/71/13/966357113.db2.gz REYWDVQNPKKFSD-KBPBESRZSA-N 1 2 280.416 1.004 20 30 CDEDLO C=CCN(CC=C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001349468034 966357122 /nfs/dbraw/zinc/35/71/22/966357122.db2.gz REYWDVQNPKKFSD-KBPBESRZSA-N 1 2 280.416 1.004 20 30 CDEDLO Cc1ccc(C(=O)NCCc2[nH+]ccn2C)cc1C#N ZINC001352879103 967528415 /nfs/dbraw/zinc/52/84/15/967528415.db2.gz VQZPGHQOBZZTHW-UHFFFAOYSA-N 1 2 268.320 1.573 20 30 CDEDLO C=CC[NH+]1CCN(C(=S)NC[C@H](C)CC)CC1 ZINC001200252698 967755352 /nfs/dbraw/zinc/75/53/52/967755352.db2.gz QHUMOWHRZNHLFO-GFCCVEGCSA-N 1 2 255.431 1.711 20 30 CDEDLO C#CCNCC(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC001353571051 968077863 /nfs/dbraw/zinc/07/78/63/968077863.db2.gz NJLXTXDLWIDTBO-UHFFFAOYSA-N 1 2 263.316 1.049 20 30 CDEDLO C=CCCC(=O)[C@@H]1CCCN1C(=O)CCc1[nH+]ccn1C ZINC001528471044 968858585 /nfs/dbraw/zinc/85/85/85/968858585.db2.gz RTCWZELIOZGEOC-ZDUSSCGKSA-N 1 2 289.379 1.879 20 30 CDEDLO N#Cc1c(F)cc(C(=O)NCCc2[nH]cc[nH+]2)cc1F ZINC001465202997 969853394 /nfs/dbraw/zinc/85/33/94/969853394.db2.gz IOONEXHSXAWCFA-UHFFFAOYSA-N 1 2 276.246 1.532 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)COC1CCCC1 ZINC001418438278 973827287 /nfs/dbraw/zinc/82/72/87/973827287.db2.gz KSZVKTJCIIVTTM-UHFFFAOYSA-N 1 2 274.792 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)COC1CCCC1 ZINC001418438278 973827294 /nfs/dbraw/zinc/82/72/94/973827294.db2.gz KSZVKTJCIIVTTM-UHFFFAOYSA-N 1 2 274.792 1.746 20 30 CDEDLO C[C@H](C#N)C(=O)NCC1C[NH+](CC=C(Cl)Cl)C1 ZINC001377960180 975185921 /nfs/dbraw/zinc/18/59/21/975185921.db2.gz LOURLHGJEFZZGH-MRVPVSSYSA-N 1 2 276.167 1.513 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C(C)(C)COC)C1 ZINC001378536985 975382134 /nfs/dbraw/zinc/38/21/34/975382134.db2.gz PAJCMZWXKYQXJW-NSHDSACASA-N 1 2 288.819 1.848 20 30 CDEDLO Cc1nc(C[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N)c(C)s1 ZINC001401356729 975609746 /nfs/dbraw/zinc/60/97/46/975609746.db2.gz DTGCSFWDAACXMR-JTQLQIEISA-N 1 2 294.424 1.810 20 30 CDEDLO Cc1nc(C[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N)c(C)s1 ZINC001401356729 975609749 /nfs/dbraw/zinc/60/97/49/975609749.db2.gz DTGCSFWDAACXMR-JTQLQIEISA-N 1 2 294.424 1.810 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1csc(=O)[nH]1 ZINC001406120783 976040028 /nfs/dbraw/zinc/04/00/28/976040028.db2.gz XWRQPFYYYRLCSC-UHFFFAOYSA-N 1 2 289.788 1.605 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1csc(=O)[nH]1 ZINC001406120783 976040041 /nfs/dbraw/zinc/04/00/41/976040041.db2.gz XWRQPFYYYRLCSC-UHFFFAOYSA-N 1 2 289.788 1.605 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C1(c2cccnc2)CC1 ZINC001390800458 976520941 /nfs/dbraw/zinc/52/09/41/976520941.db2.gz FKXPEOANVMWGGG-UHFFFAOYSA-N 1 2 293.798 1.914 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C1(c2cccnc2)CC1 ZINC001390800458 976520948 /nfs/dbraw/zinc/52/09/48/976520948.db2.gz FKXPEOANVMWGGG-UHFFFAOYSA-N 1 2 293.798 1.914 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCc1cnn(C)c1 ZINC001381618041 976952029 /nfs/dbraw/zinc/95/20/29/976952029.db2.gz LOTOOTRWHXTJLB-GFCCVEGCSA-N 1 2 298.818 1.542 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCc1cnn(C)c1 ZINC001381618041 976952037 /nfs/dbraw/zinc/95/20/37/976952037.db2.gz LOTOOTRWHXTJLB-GFCCVEGCSA-N 1 2 298.818 1.542 20 30 CDEDLO CC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1nc(C)c(C)s1 ZINC001403819454 977215142 /nfs/dbraw/zinc/21/51/42/977215142.db2.gz CTWUDLUFWYHLGU-SNVBAGLBSA-N 1 2 294.424 1.858 20 30 CDEDLO CC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1nc(C)c(C)s1 ZINC001403819454 977215150 /nfs/dbraw/zinc/21/51/50/977215150.db2.gz CTWUDLUFWYHLGU-SNVBAGLBSA-N 1 2 294.424 1.858 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1ncc(C)o1 ZINC001404110051 977339440 /nfs/dbraw/zinc/33/94/40/977339440.db2.gz KKHVCDIVAQNNRI-NSHDSACASA-N 1 2 278.356 1.471 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1ncc(C)o1 ZINC001404110051 977339449 /nfs/dbraw/zinc/33/94/49/977339449.db2.gz KKHVCDIVAQNNRI-NSHDSACASA-N 1 2 278.356 1.471 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cncnc1CC ZINC001392326815 977410094 /nfs/dbraw/zinc/41/00/94/977410094.db2.gz LYIVWSRFNKHAAH-UHFFFAOYSA-N 1 2 296.802 1.795 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cncnc1CC ZINC001392326815 977410098 /nfs/dbraw/zinc/41/00/98/977410098.db2.gz LYIVWSRFNKHAAH-UHFFFAOYSA-N 1 2 296.802 1.795 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001132654084 1163418015 /nfs/dbraw/zinc/41/80/15/1163418015.db2.gz YKUFBGTVXBCYLR-JTQLQIEISA-N 1 2 266.345 1.186 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001133142472 1163581680 /nfs/dbraw/zinc/58/16/80/1163581680.db2.gz CKYBVIPFJSMKBJ-SNVBAGLBSA-N 1 2 268.386 1.661 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[NH2+]Cc1nc(CCC)no1 ZINC001133379223 1163662281 /nfs/dbraw/zinc/66/22/81/1163662281.db2.gz WWJHHPDZUASDCY-HNNXBMFYSA-N 1 2 294.399 1.830 20 30 CDEDLO Cc1cc(C#N)cc(C)c1OC[C@H]1C[N@H+](C)CCO1 ZINC000092056316 1174353986 /nfs/dbraw/zinc/35/39/86/1174353986.db2.gz HKYDFTCOFXNYMH-CQSZACIVSA-N 1 2 260.337 1.885 20 30 CDEDLO Cc1cc(C#N)cc(C)c1OC[C@H]1C[N@@H+](C)CCO1 ZINC000092056316 1174353991 /nfs/dbraw/zinc/35/39/91/1174353991.db2.gz HKYDFTCOFXNYMH-CQSZACIVSA-N 1 2 260.337 1.885 20 30 CDEDLO CCc1nc(C#N)cc(N[C@H](C)C[NH+]2CCOCC2)n1 ZINC000308181176 342510550 /nfs/dbraw/zinc/51/05/50/342510550.db2.gz QDXMWHCKSABZTC-LLVKDONJSA-N 1 2 275.356 1.043 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccc(F)c(F)c1 ZINC000589826922 342514871 /nfs/dbraw/zinc/51/48/71/342514871.db2.gz FJJYEDVFSPZGJL-AWEZNQCLSA-N 1 2 281.306 1.467 20 30 CDEDLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CCO1 ZINC000045752347 342042128 /nfs/dbraw/zinc/04/21/28/342042128.db2.gz KKLCKKMQGZGZMA-KBPBESRZSA-N 1 2 293.411 1.828 20 30 CDEDLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CCO1 ZINC000045752347 342042129 /nfs/dbraw/zinc/04/21/29/342042129.db2.gz KKLCKKMQGZGZMA-KBPBESRZSA-N 1 2 293.411 1.828 20 30 CDEDLO CN(Cc1cccc(C#N)c1)C(=O)NCc1c[nH+]cn1C ZINC000292037314 342588960 /nfs/dbraw/zinc/58/89/60/342588960.db2.gz QROXDHCIJBEYEZ-UHFFFAOYSA-N 1 2 283.335 1.633 20 30 CDEDLO C[C@H]1C[C@@H](NC(=O)c2cc(O)cc(C#N)c2)c2[nH+]ccn21 ZINC000590875704 342602442 /nfs/dbraw/zinc/60/24/42/342602442.db2.gz FAFUDAWVOWSIAH-TVQRCGJNSA-N 1 2 282.303 1.896 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc2cc[nH]c21 ZINC000591774873 342646293 /nfs/dbraw/zinc/64/62/93/342646293.db2.gz HYYAJDOTKVBJRG-ZDUSSCGKSA-N 1 2 272.352 1.786 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc2cc[nH]c21 ZINC000591774873 342646294 /nfs/dbraw/zinc/64/62/94/342646294.db2.gz HYYAJDOTKVBJRG-ZDUSSCGKSA-N 1 2 272.352 1.786 20 30 CDEDLO Cc1cc(N[C@H]2CCN(C(=O)C3CCCC3)C2)c(C#N)c[nH+]1 ZINC000591821321 342647538 /nfs/dbraw/zinc/64/75/38/342647538.db2.gz CVZGJUKZCUXJQF-HNNXBMFYSA-N 1 2 298.390 1.887 20 30 CDEDLO CC[C@@H]1CN(c2cc(C)[nH+]cc2C#N)C[C@H](C)S1(=O)=O ZINC000591825088 342647812 /nfs/dbraw/zinc/64/78/12/342647812.db2.gz KRABYOLDDDHEAC-WCQYABFASA-N 1 2 293.392 1.664 20 30 CDEDLO CCCCc1noc([C@@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592146108 342673472 /nfs/dbraw/zinc/67/34/72/342673472.db2.gz DDCMXBBJCWSUHQ-RISCZKNCSA-N 1 2 278.356 1.824 20 30 CDEDLO CCCCc1noc([C@@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592146108 342673474 /nfs/dbraw/zinc/67/34/74/342673474.db2.gz DDCMXBBJCWSUHQ-RISCZKNCSA-N 1 2 278.356 1.824 20 30 CDEDLO CCc1ccc(NC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592149857 342668513 /nfs/dbraw/zinc/66/85/13/342668513.db2.gz YFSOHSODHBRXLY-INIZCTEOSA-N 1 2 287.363 1.538 20 30 CDEDLO CCc1ccc(NC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592149857 342668514 /nfs/dbraw/zinc/66/85/14/342668514.db2.gz YFSOHSODHBRXLY-INIZCTEOSA-N 1 2 287.363 1.538 20 30 CDEDLO CSC[C@@](C)(C#N)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000593160516 342771919 /nfs/dbraw/zinc/77/19/19/342771919.db2.gz VWMQZZAZBKTDET-ZYHUDNBSSA-N 1 2 266.370 1.596 20 30 CDEDLO CC[C@H](C#N)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000593395465 342794543 /nfs/dbraw/zinc/79/45/43/342794543.db2.gz WSHLDGZZTLMUEE-CYBMUJFWSA-N 1 2 288.351 1.084 20 30 CDEDLO CCC(C#N)(CC)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000599314107 344006074 /nfs/dbraw/zinc/00/60/74/344006074.db2.gz VCXDAUFZJDOQFS-UHFFFAOYSA-N 1 2 281.400 1.543 20 30 CDEDLO CCC(C#N)(CC)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000599314107 344006075 /nfs/dbraw/zinc/00/60/75/344006075.db2.gz VCXDAUFZJDOQFS-UHFFFAOYSA-N 1 2 281.400 1.543 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](C(=O)OC)C2)nn1 ZINC000593956876 342857383 /nfs/dbraw/zinc/85/73/83/342857383.db2.gz SMIZWJAYMJOUSZ-LBPRGKRZSA-N 1 2 278.356 1.239 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](C(=O)OC)C2)nn1 ZINC000593956876 342857384 /nfs/dbraw/zinc/85/73/84/342857384.db2.gz SMIZWJAYMJOUSZ-LBPRGKRZSA-N 1 2 278.356 1.239 20 30 CDEDLO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1nc(C(N)=O)cs1)CC2 ZINC000595083616 343002955 /nfs/dbraw/zinc/00/29/55/343002955.db2.gz BEDPLOXXXHCFIR-GFCCVEGCSA-N 1 2 298.371 1.891 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000595297154 343027421 /nfs/dbraw/zinc/02/74/21/343027421.db2.gz BQYSRWHWLQCZCM-AAVRWANBSA-N 1 2 263.385 1.915 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000595297154 343027422 /nfs/dbraw/zinc/02/74/22/343027422.db2.gz BQYSRWHWLQCZCM-AAVRWANBSA-N 1 2 263.385 1.915 20 30 CDEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCC(O)CC3)o2)c1 ZINC000075621073 342313728 /nfs/dbraw/zinc/31/37/28/342313728.db2.gz FUBSIHFBJQMPDD-UHFFFAOYSA-N 1 2 284.319 1.565 20 30 CDEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)s1)c1[nH+]ccn1C ZINC000595383435 343052142 /nfs/dbraw/zinc/05/21/42/343052142.db2.gz NQFXXOSTHYQDRG-MRVPVSSYSA-N 1 2 296.377 1.393 20 30 CDEDLO CC(C)C(=O)NC1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000076493200 342321955 /nfs/dbraw/zinc/32/19/55/342321955.db2.gz HTVAKQVJAWWFFP-CYBMUJFWSA-N 1 2 276.384 1.667 20 30 CDEDLO CC(C)C(=O)NC1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000076493198 342321988 /nfs/dbraw/zinc/32/19/88/342321988.db2.gz HTVAKQVJAWWFFP-ZDUSSCGKSA-N 1 2 276.384 1.667 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@H](CC#N)C1 ZINC000595551618 343086145 /nfs/dbraw/zinc/08/61/45/343086145.db2.gz JEYMWXMMJJVFTG-ZIAGYGMSSA-N 1 2 294.399 1.042 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@H](CC#N)C1 ZINC000595551618 343086146 /nfs/dbraw/zinc/08/61/46/343086146.db2.gz JEYMWXMMJJVFTG-ZIAGYGMSSA-N 1 2 294.399 1.042 20 30 CDEDLO N#Cc1cc(NC(=O)CCn2cc[nH+]c2)ccc1F ZINC000076880833 342324013 /nfs/dbraw/zinc/32/40/13/342324013.db2.gz BWUOBWDVRCTIQC-UHFFFAOYSA-N 1 2 258.256 1.923 20 30 CDEDLO COc1cc[nH+]c(CN([C@H](C)C#N)C2CC2)c1OC ZINC000595710280 343137436 /nfs/dbraw/zinc/13/74/36/343137436.db2.gz OYRJNFDDJLBHCP-SNVBAGLBSA-N 1 2 261.325 1.975 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)Nc1nc(C#N)c(Cl)s1 ZINC000596079591 343227875 /nfs/dbraw/zinc/22/78/75/343227875.db2.gz TWYLDXSDOHDVAV-ZETCQYMHSA-N 1 2 267.745 1.787 20 30 CDEDLO N#Cc1nc(N[C@H]2CC[N@H+](CC3CC3)C2)sc1Cl ZINC000596119278 343232499 /nfs/dbraw/zinc/23/24/99/343232499.db2.gz MLDWJOYQMGDUEY-VIFPVBQESA-N 1 2 282.800 1.986 20 30 CDEDLO N#Cc1nc(N[C@H]2CC[N@@H+](CC3CC3)C2)sc1Cl ZINC000596119278 343232500 /nfs/dbraw/zinc/23/25/00/343232500.db2.gz MLDWJOYQMGDUEY-VIFPVBQESA-N 1 2 282.800 1.986 20 30 CDEDLO CC(C)(C)n1ncc2c1nc(NCCCC#N)[nH+]c2N ZINC000596191296 343253159 /nfs/dbraw/zinc/25/31/59/343253159.db2.gz NTVYOGQYJVIHEO-UHFFFAOYSA-N 1 2 273.344 1.301 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(CO)CC1 ZINC000083175713 342377831 /nfs/dbraw/zinc/37/78/31/342377831.db2.gz FIUJVTKRZQYTAD-OAHLLOKOSA-N 1 2 288.347 1.477 20 30 CDEDLO CCC[N@@H+]1CC[C@@H](Nc2nc(C#N)c(Cl)s2)C1 ZINC000596517982 343340276 /nfs/dbraw/zinc/34/02/76/343340276.db2.gz SEBKQOKEEDBDFJ-MRVPVSSYSA-N 1 2 270.789 1.986 20 30 CDEDLO CCC[N@H+]1CC[C@@H](Nc2nc(C#N)c(Cl)s2)C1 ZINC000596517982 343340278 /nfs/dbraw/zinc/34/02/78/343340278.db2.gz SEBKQOKEEDBDFJ-MRVPVSSYSA-N 1 2 270.789 1.986 20 30 CDEDLO C[C@@H]1N(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCOC1(C)C ZINC000330199835 362177076 /nfs/dbraw/zinc/17/70/76/362177076.db2.gz VYFTVSIJEHOYGX-NWDGAFQWSA-N 1 2 292.383 1.611 20 30 CDEDLO C#CCSCCNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000371043253 343396610 /nfs/dbraw/zinc/39/66/10/343396610.db2.gz MJYPYECSWMFUOH-GFCCVEGCSA-N 1 2 292.408 1.285 20 30 CDEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000444728834 362200725 /nfs/dbraw/zinc/20/07/25/362200725.db2.gz BZOCFYKYRBZVKE-LSDHHAIUSA-N 1 2 288.347 1.251 20 30 CDEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000444728834 362200726 /nfs/dbraw/zinc/20/07/26/362200726.db2.gz BZOCFYKYRBZVKE-LSDHHAIUSA-N 1 2 288.347 1.251 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444699031 362199142 /nfs/dbraw/zinc/19/91/42/362199142.db2.gz CVWOKRAXZHTEKY-UHFFFAOYSA-N 1 2 297.305 1.408 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444699031 362199147 /nfs/dbraw/zinc/19/91/47/362199147.db2.gz CVWOKRAXZHTEKY-UHFFFAOYSA-N 1 2 297.305 1.408 20 30 CDEDLO CN1CCOC[C@@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000329004211 529780291 /nfs/dbraw/zinc/78/02/91/529780291.db2.gz YGDMVDPDPPHAIM-GFCCVEGCSA-N 1 2 274.324 1.121 20 30 CDEDLO N#Cc1ccc2c(c1)CCN2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000597772171 343630733 /nfs/dbraw/zinc/63/07/33/343630733.db2.gz JTEWPGRXOOKHNW-AWEZNQCLSA-N 1 2 292.342 1.906 20 30 CDEDLO N#Cc1ccc2c(c1)CCN2C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000597773341 343631236 /nfs/dbraw/zinc/63/12/36/343631236.db2.gz RSAGTMDBVVIFGY-CQSZACIVSA-N 1 2 292.342 1.906 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)C2(C#N)CCCCC2)[C@H](C)CO1 ZINC000597998694 343685333 /nfs/dbraw/zinc/68/53/33/343685333.db2.gz QCAMPECHPIOWEX-ZIAGYGMSSA-N 1 2 293.411 1.686 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)C2(C#N)CCCCC2)[C@H](C)CO1 ZINC000597998694 343685334 /nfs/dbraw/zinc/68/53/34/343685334.db2.gz QCAMPECHPIOWEX-ZIAGYGMSSA-N 1 2 293.411 1.686 20 30 CDEDLO C=C[C@@H]([NH2+]CC1(CCOC)CCCC1)C(=O)OC ZINC000619703169 349859062 /nfs/dbraw/zinc/85/90/62/349859062.db2.gz HFZPZMPIUYITMH-GFCCVEGCSA-N 1 2 255.358 1.901 20 30 CDEDLO C=C[C@H]([NH2+][C@H]1CCCC12CCOCC2)C(=O)OC ZINC000619723297 349872819 /nfs/dbraw/zinc/87/28/19/349872819.db2.gz XZXAOAMJEAFTOR-RYUDHWBXSA-N 1 2 253.342 1.653 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000619723592 349873115 /nfs/dbraw/zinc/87/31/15/349873115.db2.gz YNNHUKOZUKRMIZ-CQSZACIVSA-N 1 2 278.377 1.486 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000619723592 349873117 /nfs/dbraw/zinc/87/31/17/349873117.db2.gz YNNHUKOZUKRMIZ-CQSZACIVSA-N 1 2 278.377 1.486 20 30 CDEDLO COC(=O)[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1CCCCC1 ZINC000598612646 343842148 /nfs/dbraw/zinc/84/21/48/343842148.db2.gz QNJKGOFYBMRXGE-UONOGXRCSA-N 1 2 296.411 1.999 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC000599455730 344057674 /nfs/dbraw/zinc/05/76/74/344057674.db2.gz VEIMXBOKEZRECY-ZDUSSCGKSA-N 1 2 266.728 1.896 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC000599455730 344057677 /nfs/dbraw/zinc/05/76/77/344057677.db2.gz VEIMXBOKEZRECY-ZDUSSCGKSA-N 1 2 266.728 1.896 20 30 CDEDLO Cc1cn2ccc(C(=O)N3CCOC[C@@H]3C#N)cc2[nH+]1 ZINC000602109013 344338428 /nfs/dbraw/zinc/33/84/28/344338428.db2.gz MHNXHMBFBBTWIV-LBPRGKRZSA-N 1 2 270.292 1.007 20 30 CDEDLO Cc1cn2ccc(C(=O)N[C@H](C#N)C(C)C)cc2[nH+]1 ZINC000602095322 344344544 /nfs/dbraw/zinc/34/45/44/344344544.db2.gz AKXRVOWAVBBLLT-GFCCVEGCSA-N 1 2 256.309 1.921 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612131657 347051622 /nfs/dbraw/zinc/05/16/22/347051622.db2.gz ALSQZNLRIQCELD-ZDUSSCGKSA-N 1 2 261.329 1.255 20 30 CDEDLO CN(Cc1cc2c(c[nH+]1)OCCO2)CC(C)(C)C#N ZINC000602677286 344526740 /nfs/dbraw/zinc/52/67/40/344526740.db2.gz YLZUAZQWPCYXHO-UHFFFAOYSA-N 1 2 261.325 1.834 20 30 CDEDLO C[N@H+](Cc1cc2c(cn1)OCCO2)CC(C)(C)C#N ZINC000602677286 344526741 /nfs/dbraw/zinc/52/67/41/344526741.db2.gz YLZUAZQWPCYXHO-UHFFFAOYSA-N 1 2 261.325 1.834 20 30 CDEDLO C[N@@H+](Cc1cc2c(cn1)OCCO2)CC(C)(C)C#N ZINC000602677286 344526743 /nfs/dbraw/zinc/52/67/43/344526743.db2.gz YLZUAZQWPCYXHO-UHFFFAOYSA-N 1 2 261.325 1.834 20 30 CDEDLO C=CCC[C@H]([NH2+][C@H]1CCCNC(=O)C1)C(=O)OCC ZINC000602682760 344528952 /nfs/dbraw/zinc/52/89/52/344528952.db2.gz RQUJNZNRFWDEAE-RYUDHWBXSA-N 1 2 268.357 1.143 20 30 CDEDLO C=CCC[C@@H]([NH2+][C@@H](C)Cc1cnccn1)C(=O)OCC ZINC000602683455 344529806 /nfs/dbraw/zinc/52/98/06/344529806.db2.gz WCQFZWAIBNAVIY-GXTWGEPZSA-N 1 2 277.368 1.895 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1CC1(CC#N)CC1 ZINC000602799165 344589479 /nfs/dbraw/zinc/58/94/79/344589479.db2.gz BIWBGVBKYUGRGB-NWDGAFQWSA-N 1 2 266.341 1.333 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1CC1(CC#N)CC1 ZINC000602799165 344589480 /nfs/dbraw/zinc/58/94/80/344589480.db2.gz BIWBGVBKYUGRGB-NWDGAFQWSA-N 1 2 266.341 1.333 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCc1cc(F)cc(F)c1 ZINC000602860227 344615999 /nfs/dbraw/zinc/61/59/99/344615999.db2.gz CDBOHXCPYBYFGI-VIFPVBQESA-N 1 2 267.279 1.473 20 30 CDEDLO CC(C)CCOCCNC(=O)C[NH2+][C@@H](C)CC#N ZINC000602861344 344617468 /nfs/dbraw/zinc/61/74/68/344617468.db2.gz HFCPAWVAFRGYEO-LBPRGKRZSA-N 1 2 255.362 1.057 20 30 CDEDLO COc1ccc(CN(C)C(=O)C[NH2+][C@H](C)CC#N)cc1 ZINC000602862939 344617625 /nfs/dbraw/zinc/61/76/25/344617625.db2.gz LASKJYSPMPBPRH-GFCCVEGCSA-N 1 2 275.352 1.545 20 30 CDEDLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)CC#N)c(OC)c1 ZINC000602864120 344637662 /nfs/dbraw/zinc/63/76/62/344637662.db2.gz QUFIDRWXPBCOHF-MNOVXSKESA-N 1 2 291.351 1.923 20 30 CDEDLO CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000602864609 344638268 /nfs/dbraw/zinc/63/82/68/344638268.db2.gz SCUGKSKDRIDXNX-QWRGUYRKSA-N 1 2 263.345 1.683 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000602870450 344641191 /nfs/dbraw/zinc/64/11/91/344641191.db2.gz UDPLDBGFOJJPED-BXUZGUMPSA-N 1 2 268.320 1.555 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2cccc(C#N)c2)nn1 ZINC000603235197 344742293 /nfs/dbraw/zinc/74/22/93/344742293.db2.gz PILPIFDKVKMUDP-ZDUSSCGKSA-N 1 2 279.347 1.872 20 30 CDEDLO C=CCCCCCn1cc(C[C@H]([NH3+])C(=O)OC)nn1 ZINC000603218451 344746707 /nfs/dbraw/zinc/74/67/07/344746707.db2.gz BXQDAFLKSQRDMH-LBPRGKRZSA-N 1 2 266.345 1.067 20 30 CDEDLO CCN(CC)C(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609484930 344915204 /nfs/dbraw/zinc/91/52/04/344915204.db2.gz RCOGRAOERRWAAC-CABCVRRESA-N 1 2 294.443 1.409 20 30 CDEDLO CC[N@@H+](CC(=O)NC(=O)NCc1ccco1)C[C@H](C)C#N ZINC000049982232 344977213 /nfs/dbraw/zinc/97/72/13/344977213.db2.gz BVCSUVMGXQZONM-LLVKDONJSA-N 1 2 292.339 1.087 20 30 CDEDLO CC[N@H+](CC(=O)NC(=O)NCc1ccco1)C[C@H](C)C#N ZINC000049982232 344977215 /nfs/dbraw/zinc/97/72/15/344977215.db2.gz BVCSUVMGXQZONM-LLVKDONJSA-N 1 2 292.339 1.087 20 30 CDEDLO Cc1nnc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000049971050 344975151 /nfs/dbraw/zinc/97/51/51/344975151.db2.gz IITWLZDTXVSARD-UHFFFAOYSA-N 1 2 297.362 1.568 20 30 CDEDLO N#CC1(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)CCC1 ZINC000382640845 345231682 /nfs/dbraw/zinc/23/16/82/345231682.db2.gz OAVBQWUQFUARLG-CYBMUJFWSA-N 1 2 277.368 1.003 20 30 CDEDLO COCC[N@H+](CC(=O)Nc1sccc1C#N)C1CC1 ZINC000052940165 345308625 /nfs/dbraw/zinc/30/86/25/345308625.db2.gz UBXHCYVTHXCWAG-UHFFFAOYSA-N 1 2 279.365 1.669 20 30 CDEDLO COCC[N@@H+](CC(=O)Nc1sccc1C#N)C1CC1 ZINC000052940165 345308627 /nfs/dbraw/zinc/30/86/27/345308627.db2.gz UBXHCYVTHXCWAG-UHFFFAOYSA-N 1 2 279.365 1.669 20 30 CDEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(F)(F)CC2)cc1 ZINC000619516089 345430408 /nfs/dbraw/zinc/43/04/08/345430408.db2.gz LPEFSJIUBVFVJV-LBPRGKRZSA-N 1 2 279.290 1.816 20 30 CDEDLO Cc1ncc(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)cn1 ZINC000609537919 345595582 /nfs/dbraw/zinc/59/55/82/345595582.db2.gz GGBNIQVANCGPRT-HNNXBMFYSA-N 1 2 273.384 1.451 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H]1CSC[C@@H]1C)C(=O)OC ZINC000449302839 362644246 /nfs/dbraw/zinc/64/42/46/362644246.db2.gz WMZYJWVYXVSTBI-GARJFASQSA-N 1 2 259.371 1.072 20 30 CDEDLO C=CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H](C)COC ZINC000617579011 345865418 /nfs/dbraw/zinc/86/54/18/345865418.db2.gz WEDWZRHGIPMNFA-CHWSQXEVSA-N 1 2 277.368 1.495 20 30 CDEDLO N#Cc1csc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)c1 ZINC000610627897 346330232 /nfs/dbraw/zinc/33/02/32/346330232.db2.gz OQZRRLHMEIENAR-UHFFFAOYSA-N 1 2 285.328 1.918 20 30 CDEDLO N#Cc1cccc(OCC[N@@H+]2CCc3cn[nH]c3C2)c1 ZINC000611009156 346575208 /nfs/dbraw/zinc/57/52/08/346575208.db2.gz UQRIZXYCOPFIQP-UHFFFAOYSA-N 1 2 268.320 1.718 20 30 CDEDLO N#Cc1cccc(OCC[N@H+]2CCc3cn[nH]c3C2)c1 ZINC000611009156 346575213 /nfs/dbraw/zinc/57/52/13/346575213.db2.gz UQRIZXYCOPFIQP-UHFFFAOYSA-N 1 2 268.320 1.718 20 30 CDEDLO N#Cc1cccc(OCC[N@@H+]2CCc3c[nH]nc3C2)c1 ZINC000611009156 346575216 /nfs/dbraw/zinc/57/52/16/346575216.db2.gz UQRIZXYCOPFIQP-UHFFFAOYSA-N 1 2 268.320 1.718 20 30 CDEDLO N#Cc1cccc(OCC[N@H+]2CCc3c[nH]nc3C2)c1 ZINC000611009156 346575221 /nfs/dbraw/zinc/57/52/21/346575221.db2.gz UQRIZXYCOPFIQP-UHFFFAOYSA-N 1 2 268.320 1.718 20 30 CDEDLO COC(=O)c1ccc(C[NH+]2CCN(CCC#N)CC2)o1 ZINC000611174042 346627332 /nfs/dbraw/zinc/62/73/32/346627332.db2.gz VJFDGANAGUFKGR-UHFFFAOYSA-N 1 2 277.324 1.097 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+](CCC#N)C[C@H]1c1ccccc1 ZINC000374072271 370649065 /nfs/dbraw/zinc/64/90/65/370649065.db2.gz OGSKMUGZMYFPEK-UONOGXRCSA-N 1 2 258.321 1.789 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+](CCC#N)C[C@H]1c1ccccc1 ZINC000374072271 370649069 /nfs/dbraw/zinc/64/90/69/370649069.db2.gz OGSKMUGZMYFPEK-UONOGXRCSA-N 1 2 258.321 1.789 20 30 CDEDLO COCC[N@H+](CCC#N)Cc1ccc2c(c1)ncn2C ZINC000611413817 346780853 /nfs/dbraw/zinc/78/08/53/346780853.db2.gz XYLCLVJTRIEIKL-UHFFFAOYSA-N 1 2 272.352 1.935 20 30 CDEDLO COCC[N@@H+](CCC#N)Cc1ccc2c(c1)ncn2C ZINC000611413817 346780856 /nfs/dbraw/zinc/78/08/56/346780856.db2.gz XYLCLVJTRIEIKL-UHFFFAOYSA-N 1 2 272.352 1.935 20 30 CDEDLO CCN1CC[NH+]([C@H](C)CNc2nc(C#N)ccc2C)CC1 ZINC000611399399 346774601 /nfs/dbraw/zinc/77/46/01/346774601.db2.gz MXGMNQLNXLDJNM-CQSZACIVSA-N 1 2 287.411 1.700 20 30 CDEDLO N#C[C@H]1CSCCN1C(=O)CCCn1cc[nH+]c1 ZINC000611401094 346775386 /nfs/dbraw/zinc/77/53/86/346775386.db2.gz OCGIGVCFSGYIAO-NSHDSACASA-N 1 2 264.354 1.131 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000450117514 362796069 /nfs/dbraw/zinc/79/60/69/362796069.db2.gz UBSBZJAAAQMSKB-KBXIAJHMSA-N 1 2 289.379 1.884 20 30 CDEDLO CCC(=O)CCC[N@H+](CCC#N)CCN1CCOCC1 ZINC000450464130 362826342 /nfs/dbraw/zinc/82/63/42/362826342.db2.gz WDOXRHMNTRZAQO-UHFFFAOYSA-N 1 2 281.400 1.294 20 30 CDEDLO CCC(=O)CCC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000450464130 362826347 /nfs/dbraw/zinc/82/63/47/362826347.db2.gz WDOXRHMNTRZAQO-UHFFFAOYSA-N 1 2 281.400 1.294 20 30 CDEDLO C#C[C@H](NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)C(C)(C)C ZINC000491640748 347585326 /nfs/dbraw/zinc/58/53/26/347585326.db2.gz OUXHZXGOTBVDLC-RDBSUJKOSA-N 1 2 295.427 1.443 20 30 CDEDLO C=C[C@H]([NH2+]CC1(SC)CCOCC1)C(=O)OC ZINC000619702016 347885038 /nfs/dbraw/zinc/88/50/38/347885038.db2.gz CPAGDMSSDVCYLQ-JTQLQIEISA-N 1 2 259.371 1.216 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000355140526 365939009 /nfs/dbraw/zinc/93/90/09/365939009.db2.gz VVCBGWRDAXOOEO-MELADBBJSA-N 1 2 284.400 1.193 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000614374954 348094764 /nfs/dbraw/zinc/09/47/64/348094764.db2.gz JPLLUGJTPJZEDP-RGCMKSIDSA-N 1 2 289.379 1.621 20 30 CDEDLO C=C[C@@H](C(=O)OC)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000619718719 348187974 /nfs/dbraw/zinc/18/79/74/348187974.db2.gz YKNKHSYFDWICJT-HIFRSBDPSA-N 1 2 289.379 1.488 20 30 CDEDLO C=C[C@](C)(O)C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000614966973 348288661 /nfs/dbraw/zinc/28/86/61/348288661.db2.gz CTDSUZKPYGLDOZ-ZDUSSCGKSA-N 1 2 276.327 1.017 20 30 CDEDLO CC[N@H+](C[C@H](O)C(F)(F)F)CC1(C#N)CCC1 ZINC000450791129 362915397 /nfs/dbraw/zinc/91/53/97/362915397.db2.gz LVORDWNBLAYJOM-VIFPVBQESA-N 1 2 250.264 1.925 20 30 CDEDLO CC[N@@H+](C[C@H](O)C(F)(F)F)CC1(C#N)CCC1 ZINC000450791129 362915398 /nfs/dbraw/zinc/91/53/98/362915398.db2.gz LVORDWNBLAYJOM-VIFPVBQESA-N 1 2 250.264 1.925 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc2ccncc2c1 ZINC000414119874 362926071 /nfs/dbraw/zinc/92/60/71/362926071.db2.gz DXJLLKXIONLBEP-OAHLLOKOSA-N 1 2 285.347 1.820 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc2ccncc2c1 ZINC000414119874 362926072 /nfs/dbraw/zinc/92/60/72/362926072.db2.gz DXJLLKXIONLBEP-OAHLLOKOSA-N 1 2 285.347 1.820 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc2cccnc2c1 ZINC000414121033 362926162 /nfs/dbraw/zinc/92/61/62/362926162.db2.gz FNSVZBCEMJBEJQ-CQSZACIVSA-N 1 2 285.347 1.820 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc2cccnc2c1 ZINC000414121033 362926165 /nfs/dbraw/zinc/92/61/65/362926165.db2.gz FNSVZBCEMJBEJQ-CQSZACIVSA-N 1 2 285.347 1.820 20 30 CDEDLO CO[C@@H]1CCC[C@@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000576164174 348487450 /nfs/dbraw/zinc/48/74/50/348487450.db2.gz OBQVQEVYLFNAMV-NFAWXSAZSA-N 1 2 281.400 1.542 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000615329871 348443483 /nfs/dbraw/zinc/44/34/83/348443483.db2.gz WXBJXXBMVAIFLD-MNOVXSKESA-N 1 2 294.317 1.720 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000615329871 348443486 /nfs/dbraw/zinc/44/34/86/348443486.db2.gz WXBJXXBMVAIFLD-MNOVXSKESA-N 1 2 294.317 1.720 20 30 CDEDLO Cc1ccc2[nH+]c(CNC(=O)CSCC#N)cn2c1 ZINC000060403566 348888495 /nfs/dbraw/zinc/88/84/95/348888495.db2.gz OBJBICGGGCKQEN-UHFFFAOYSA-N 1 2 274.349 1.516 20 30 CDEDLO CC[C@H](C#N)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000263787884 362944038 /nfs/dbraw/zinc/94/40/38/362944038.db2.gz HWUIFUCQUIPSGW-CQSZACIVSA-N 1 2 268.320 1.963 20 30 CDEDLO COC(=O)c1cc(C[N@H+](C)Cc2ccc(C#N)cc2)on1 ZINC000602439100 350109844 /nfs/dbraw/zinc/10/98/44/350109844.db2.gz MGZDBTALISKNGR-UHFFFAOYSA-N 1 2 285.303 1.965 20 30 CDEDLO COC(=O)c1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)on1 ZINC000602439100 350109846 /nfs/dbraw/zinc/10/98/46/350109846.db2.gz MGZDBTALISKNGR-UHFFFAOYSA-N 1 2 285.303 1.965 20 30 CDEDLO N#Cc1cc(C[NH+]2CCN(c3nc[nH]n3)CC2)ccc1F ZINC000602870533 350157827 /nfs/dbraw/zinc/15/78/27/350157827.db2.gz MSQSZQQLPXHYDZ-UHFFFAOYSA-N 1 2 286.314 1.138 20 30 CDEDLO CC[N@H+](CCOc1ccc(C#N)cc1)CCS(C)(=O)=O ZINC000154163849 188127007 /nfs/dbraw/zinc/12/70/07/188127007.db2.gz JOSFGYAZLIDEPA-UHFFFAOYSA-N 1 2 296.392 1.304 20 30 CDEDLO CC[N@@H+](CCOc1ccc(C#N)cc1)CCS(C)(=O)=O ZINC000154163849 188127008 /nfs/dbraw/zinc/12/70/08/188127008.db2.gz JOSFGYAZLIDEPA-UHFFFAOYSA-N 1 2 296.392 1.304 20 30 CDEDLO C#CCOc1ccc(C[N@H+](C)CCS(C)(=O)=O)cc1 ZINC000155176998 188188753 /nfs/dbraw/zinc/18/87/53/188188753.db2.gz JXFWXBFIRHXLJF-UHFFFAOYSA-N 1 2 281.377 1.175 20 30 CDEDLO C#CCOc1ccc(C[N@@H+](C)CCS(C)(=O)=O)cc1 ZINC000155176998 188188755 /nfs/dbraw/zinc/18/87/55/188188755.db2.gz JXFWXBFIRHXLJF-UHFFFAOYSA-N 1 2 281.377 1.175 20 30 CDEDLO CCC[N@H+](CC#Cc1ccc(F)cc1)CC(=O)N(C)C ZINC000156282755 188252964 /nfs/dbraw/zinc/25/29/64/188252964.db2.gz IEQQAQKJTUBHDH-UHFFFAOYSA-N 1 2 276.355 1.977 20 30 CDEDLO CCC[N@@H+](CC#Cc1ccc(F)cc1)CC(=O)N(C)C ZINC000156282755 188252965 /nfs/dbraw/zinc/25/29/65/188252965.db2.gz IEQQAQKJTUBHDH-UHFFFAOYSA-N 1 2 276.355 1.977 20 30 CDEDLO Cn1cnnc1[C@H]1CCC[N@@H+]1CCOc1ccccc1C#N ZINC000156865635 188284740 /nfs/dbraw/zinc/28/47/40/188284740.db2.gz ARILBVQLNMPATC-CQSZACIVSA-N 1 2 297.362 1.903 20 30 CDEDLO Cn1cnnc1[C@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC000156865635 188284741 /nfs/dbraw/zinc/28/47/41/188284741.db2.gz ARILBVQLNMPATC-CQSZACIVSA-N 1 2 297.362 1.903 20 30 CDEDLO Cc1ccc(/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C)o1 ZINC000492944797 366185875 /nfs/dbraw/zinc/18/58/75/366185875.db2.gz DJUYOLFNPPAIDR-NPQIQWPPSA-N 1 2 261.325 1.561 20 30 CDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C#Cc1ccccc1 ZINC000287419608 291063455 /nfs/dbraw/zinc/06/34/55/291063455.db2.gz QFNANKYNRHTSAS-DOTOQJQBSA-N 1 2 298.386 1.360 20 30 CDEDLO CC[N@H+](CC(=O)N[C@@H]1CCCS(=O)(=O)C1)C1CC1 ZINC000328960068 538443785 /nfs/dbraw/zinc/44/37/85/538443785.db2.gz PITNDYQAOQUWSL-SNVBAGLBSA-N 1 2 274.386 1.004 20 30 CDEDLO CC[N@@H+](CC(=O)N[C@@H]1CCCS(=O)(=O)C1)C1CC1 ZINC000328960068 538443786 /nfs/dbraw/zinc/44/37/86/538443786.db2.gz PITNDYQAOQUWSL-SNVBAGLBSA-N 1 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AMMBTXVYWXXGBO-UHFFFAOYSA-N 1 2 295.346 1.523 20 30 CDEDLO COCC1=CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000185841409 357583948 /nfs/dbraw/zinc/58/39/48/357583948.db2.gz KLIJZHXSDOTIRU-HNNXBMFYSA-N 1 2 277.368 1.073 20 30 CDEDLO COCC1=CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000185841409 357583952 /nfs/dbraw/zinc/58/39/52/357583952.db2.gz KLIJZHXSDOTIRU-HNNXBMFYSA-N 1 2 277.368 1.073 20 30 CDEDLO CC[N@H+](CCS(C)(=O)=O)[C@H](C)c1cccc(C#N)c1 ZINC000189971455 358047187 /nfs/dbraw/zinc/04/71/87/358047187.db2.gz BJGZPEZVIAVTGX-GFCCVEGCSA-N 1 2 280.393 1.986 20 30 CDEDLO CC[N@@H+](CCS(C)(=O)=O)[C@H](C)c1cccc(C#N)c1 ZINC000189971455 358047188 /nfs/dbraw/zinc/04/71/88/358047188.db2.gz BJGZPEZVIAVTGX-GFCCVEGCSA-N 1 2 280.393 1.986 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCc1c[nH+]ccc1OC ZINC000294632100 199114923 /nfs/dbraw/zinc/11/49/23/199114923.db2.gz PKIMQLMJXDVOMN-OAHLLOKOSA-N 1 2 278.352 1.935 20 30 CDEDLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000126365822 358206514 /nfs/dbraw/zinc/20/65/14/358206514.db2.gz DXIMHMFQGJSAJP-SWLSCSKDSA-N 1 2 276.336 1.019 20 30 CDEDLO C[C@H]1CO[C@@H](CO)C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000126365822 358206516 /nfs/dbraw/zinc/20/65/16/358206516.db2.gz DXIMHMFQGJSAJP-SWLSCSKDSA-N 1 2 276.336 1.019 20 30 CDEDLO N#CC[C@@]1(O)CCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000591974607 358581799 /nfs/dbraw/zinc/58/17/99/358581799.db2.gz JQBSNPXOMKFDJK-LLVKDONJSA-N 1 2 271.242 1.955 20 30 CDEDLO CCOC(=O)C[N@H+](CCOc1cccc(C#N)c1)C1CC1 ZINC000098143195 358664617 /nfs/dbraw/zinc/66/46/17/358664617.db2.gz KGFGRVPMCHHJKK-UHFFFAOYSA-N 1 2 288.347 1.965 20 30 CDEDLO CCOC(=O)C[N@@H+](CCOc1cccc(C#N)c1)C1CC1 ZINC000098143195 358664620 /nfs/dbraw/zinc/66/46/20/358664620.db2.gz KGFGRVPMCHHJKK-UHFFFAOYSA-N 1 2 288.347 1.965 20 30 CDEDLO N#Cc1cccnc1Nc1ccc(N2CCNC(=O)C2)[nH+]c1 ZINC000301574490 358743995 /nfs/dbraw/zinc/74/39/95/358743995.db2.gz YDLSDQZSANOPIU-UHFFFAOYSA-N 1 2 294.318 1.028 20 30 CDEDLO N#Cc1cccc(C[NH+]2CCN(c3cccnn3)CC2)c1F ZINC000332396626 358742397 /nfs/dbraw/zinc/74/23/97/358742397.db2.gz PRPULGTUKIZTKP-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO N#CCCCCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000178760803 366499521 /nfs/dbraw/zinc/49/95/21/366499521.db2.gz RSRHHDUGGHKTJC-ZDUSSCGKSA-N 1 2 287.367 1.653 20 30 CDEDLO COc1ccc(OC)c(C[NH+]2CCN(CC#N)CC2)c1 ZINC000048417271 359204616 /nfs/dbraw/zinc/20/46/16/359204616.db2.gz WYJVIGAFJYUIRY-UHFFFAOYSA-N 1 2 275.352 1.345 20 30 CDEDLO Cc1c(C#N)cccc1NC(=O)Cc1c[nH+]cn1C ZINC000570069917 359286950 /nfs/dbraw/zinc/28/69/50/359286950.db2.gz RBLXTLOPXWBMEJ-UHFFFAOYSA-N 1 2 254.293 1.781 20 30 CDEDLO C=C1CC[NH+]([C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000264746470 359314121 /nfs/dbraw/zinc/31/41/21/359314121.db2.gz VNQLSEXXNHBHHJ-CYBMUJFWSA-N 1 2 260.341 1.177 20 30 CDEDLO C#CCCN1CC[NH+]([C@@H](C)C(=O)N(CC=C)CC=C)CC1 ZINC000271953584 359440019 /nfs/dbraw/zinc/44/00/19/359440019.db2.gz BLFZKQQCDQLONM-INIZCTEOSA-N 1 2 289.423 1.216 20 30 CDEDLO N#Cc1cc(F)c(C(=O)NCCn2cc[nH+]c2)c(F)c1 ZINC000153767796 237021306 /nfs/dbraw/zinc/02/13/06/237021306.db2.gz MDMHHCXNMCSYKZ-UHFFFAOYSA-N 1 2 276.246 1.463 20 30 CDEDLO C#C[C@@H](C)NC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000274737181 359518846 /nfs/dbraw/zinc/51/88/46/359518846.db2.gz CHNKUDFUJNTWFK-LLVKDONJSA-N 1 2 294.424 1.217 20 30 CDEDLO C=CCN(c1cc(N2CCC[C@H](CO)C2)[nH+]cn1)C1CC1 ZINC000278274935 359580110 /nfs/dbraw/zinc/58/01/10/359580110.db2.gz BBEQELUYYLXULL-ZDUSSCGKSA-N 1 2 288.395 1.840 20 30 CDEDLO C=CCN(c1cc(N2CCC[C@H](CO)C2)nc[nH+]1)C1CC1 ZINC000278274935 359580113 /nfs/dbraw/zinc/58/01/13/359580113.db2.gz BBEQELUYYLXULL-ZDUSSCGKSA-N 1 2 288.395 1.840 20 30 CDEDLO C#CCCOc1ccc(C[NH+]2CC(O)(COC)C2)cc1 ZINC000297579161 200232062 /nfs/dbraw/zinc/23/20/62/200232062.db2.gz RVSOGLOAXWGVNS-UHFFFAOYSA-N 1 2 275.348 1.282 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496084173 366639040 /nfs/dbraw/zinc/63/90/40/366639040.db2.gz IBFZMJHEBGHOQL-NWDGAFQWSA-N 1 2 285.388 1.306 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496084173 366639042 /nfs/dbraw/zinc/63/90/42/366639042.db2.gz IBFZMJHEBGHOQL-NWDGAFQWSA-N 1 2 285.388 1.306 20 30 CDEDLO C=CCN1CC[C@H]([NH+]2CCN(Cc3ccccc3)CC2)C1=O ZINC000337130907 359997731 /nfs/dbraw/zinc/99/77/31/359997731.db2.gz JZLWYULHKUDBTE-KRWDZBQOSA-N 1 2 299.418 1.591 20 30 CDEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H]1CCOC1=O ZINC000298252325 200372075 /nfs/dbraw/zinc/37/20/75/200372075.db2.gz UGMVSQGUFYUNET-AWEZNQCLSA-N 1 2 256.305 1.862 20 30 CDEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCOC1=O ZINC000298252325 200372077 /nfs/dbraw/zinc/37/20/77/200372077.db2.gz UGMVSQGUFYUNET-AWEZNQCLSA-N 1 2 256.305 1.862 20 30 CDEDLO CCN(CC)c1ccc(CNC(=O)CSCC#N)c[nH+]1 ZINC000057522794 360149806 /nfs/dbraw/zinc/14/98/06/360149806.db2.gz UMJPLBFWOHEFLA-UHFFFAOYSA-N 1 2 292.408 1.801 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000424652776 360330284 /nfs/dbraw/zinc/33/02/84/360330284.db2.gz WUKQWBQHYFFPIT-GFCCVEGCSA-N 1 2 254.374 1.426 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000424652776 360330286 /nfs/dbraw/zinc/33/02/86/360330286.db2.gz WUKQWBQHYFFPIT-GFCCVEGCSA-N 1 2 254.374 1.426 20 30 CDEDLO CC(=O)N1CCC[N@H+](Cc2cc(F)ccc2C#N)CC1 ZINC000177259878 189040062 /nfs/dbraw/zinc/04/00/62/189040062.db2.gz CGJFKGHGEKISGS-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO CC(=O)N1CCC[N@@H+](Cc2cc(F)ccc2C#N)CC1 ZINC000177259878 189040063 /nfs/dbraw/zinc/04/00/63/189040063.db2.gz CGJFKGHGEKISGS-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO C[C@@H](CC#N)NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000122892222 360318550 /nfs/dbraw/zinc/31/85/50/360318550.db2.gz AJPSPXNQZUKILK-NSHDSACASA-N 1 2 297.318 1.229 20 30 CDEDLO C=CCNC(=O)c1ccccc1NCc1[nH+]ccn1C ZINC000096980797 360327792 /nfs/dbraw/zinc/32/77/92/360327792.db2.gz SHPZOSIFYAPYFL-UHFFFAOYSA-N 1 2 270.336 1.948 20 30 CDEDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc(C#N)cs1)CCO2 ZINC000355219245 291223991 /nfs/dbraw/zinc/22/39/91/291223991.db2.gz LRIRYDKCQLXBCC-BXUZGUMPSA-N 1 2 278.377 2.000 20 30 CDEDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc(C#N)cs1)CCO2 ZINC000355219245 291223992 /nfs/dbraw/zinc/22/39/92/291223992.db2.gz LRIRYDKCQLXBCC-BXUZGUMPSA-N 1 2 278.377 2.000 20 30 CDEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)NCc1cccc(OC)c1 ZINC000348579392 360425159 /nfs/dbraw/zinc/42/51/59/360425159.db2.gz PRMKRQCAUQBTJQ-CYBMUJFWSA-N 1 2 289.379 1.935 20 30 CDEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)NCc1cccc(OC)c1 ZINC000348579392 360425164 /nfs/dbraw/zinc/42/51/64/360425164.db2.gz PRMKRQCAUQBTJQ-CYBMUJFWSA-N 1 2 289.379 1.935 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000565051333 360724442 /nfs/dbraw/zinc/72/44/42/360724442.db2.gz LBJLGBKBQRZEHQ-CYBMUJFWSA-N 1 2 260.297 1.033 20 30 CDEDLO C[C@H]1COC(C)(C)C[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000408358883 360704940 /nfs/dbraw/zinc/70/49/40/360704940.db2.gz IUFBDWWWFNCCGX-XHDPSFHLSA-N 1 2 279.384 1.294 20 30 CDEDLO C[C@H]1COC(C)(C)C[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000408358883 360704943 /nfs/dbraw/zinc/70/49/43/360704943.db2.gz IUFBDWWWFNCCGX-XHDPSFHLSA-N 1 2 279.384 1.294 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000129666917 360868385 /nfs/dbraw/zinc/86/83/85/360868385.db2.gz VRWGISPLABOLOW-AAEUAGOBSA-N 1 2 293.323 1.568 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000129666917 360868390 /nfs/dbraw/zinc/86/83/90/360868390.db2.gz VRWGISPLABOLOW-AAEUAGOBSA-N 1 2 293.323 1.568 20 30 CDEDLO C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccsc1 ZINC000563219997 360897114 /nfs/dbraw/zinc/89/71/14/360897114.db2.gz DAFNRDYQMONRAX-MFKMUULPSA-N 1 2 265.382 1.812 20 30 CDEDLO N#Cc1cc(C(=O)NCCCCNc2cccc[nH+]2)c[nH]1 ZINC000181274294 189292982 /nfs/dbraw/zinc/29/29/82/189292982.db2.gz MZFWFEPMSLKCDQ-UHFFFAOYSA-N 1 2 283.335 1.903 20 30 CDEDLO C[C@](O)(CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C1CC1 ZINC000329275805 361466044 /nfs/dbraw/zinc/46/60/44/361466044.db2.gz KBPZCOJHQJHIPP-ZBFHGGJFSA-N 1 2 296.411 1.747 20 30 CDEDLO C[C@](O)(CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C1CC1 ZINC000329275805 361466047 /nfs/dbraw/zinc/46/60/47/361466047.db2.gz KBPZCOJHQJHIPP-ZBFHGGJFSA-N 1 2 296.411 1.747 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2ccnc(C3CC3)c2)C1 ZINC000329334850 361480581 /nfs/dbraw/zinc/48/05/81/361480581.db2.gz OFNNUWFKBWQVNM-CYBMUJFWSA-N 1 2 275.352 1.594 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)c2ccnc(C3CC3)c2)C1 ZINC000329334850 361480585 /nfs/dbraw/zinc/48/05/85/361480585.db2.gz OFNNUWFKBWQVNM-CYBMUJFWSA-N 1 2 275.352 1.594 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2C[C@@H](O)C[C@H]2C)c(C#N)c1C ZINC000340912122 363860465 /nfs/dbraw/zinc/86/04/65/363860465.db2.gz PTBRMIFDOUFMPR-KCJUWKMLSA-N 1 2 277.324 1.162 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@@H](O)C[C@H]2C)c(C#N)c1C ZINC000340912122 363860468 /nfs/dbraw/zinc/86/04/68/363860468.db2.gz PTBRMIFDOUFMPR-KCJUWKMLSA-N 1 2 277.324 1.162 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCOc2cc(OC)ccc2C1 ZINC000374843706 370759945 /nfs/dbraw/zinc/75/99/45/370759945.db2.gz RRVFVDZFFVQFNQ-GFCCVEGCSA-N 1 2 288.347 1.028 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCOc2cc(OC)ccc2C1 ZINC000374843706 370759951 /nfs/dbraw/zinc/75/99/51/370759951.db2.gz RRVFVDZFFVQFNQ-GFCCVEGCSA-N 1 2 288.347 1.028 20 30 CDEDLO C[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000340916708 364277817 /nfs/dbraw/zinc/27/78/17/364277817.db2.gz ALLLPXMOZHNISM-JOYOIKCWSA-N 1 2 293.754 1.605 20 30 CDEDLO C[C@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000340916708 364277820 /nfs/dbraw/zinc/27/78/20/364277820.db2.gz ALLLPXMOZHNISM-JOYOIKCWSA-N 1 2 293.754 1.605 20 30 CDEDLO O=C1OCC[C@H]2C[N@H+](CC#Cc3ccccc3)CCN12 ZINC000496825610 366853909 /nfs/dbraw/zinc/85/39/09/366853909.db2.gz BVCLOFNXWNVKAF-HNNXBMFYSA-N 1 2 270.332 1.565 20 30 CDEDLO O=C1OCC[C@H]2C[N@@H+](CC#Cc3ccccc3)CCN12 ZINC000496825610 366853915 /nfs/dbraw/zinc/85/39/15/366853915.db2.gz BVCLOFNXWNVKAF-HNNXBMFYSA-N 1 2 270.332 1.565 20 30 CDEDLO CC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)CC#N)cc1 ZINC000639724659 364529422 /nfs/dbraw/zinc/52/94/22/364529422.db2.gz CHYANRHYPIBRRJ-SNVBAGLBSA-N 1 2 259.309 1.719 20 30 CDEDLO C=CCCCn1cc(CC[NH+]2CCOCC2)nn1 ZINC000640936022 364752178 /nfs/dbraw/zinc/75/21/78/364752178.db2.gz NDTRFHRAMIMKGE-UHFFFAOYSA-N 1 2 250.346 1.119 20 30 CDEDLO C=CCCCCn1cc(CC[NH+]2CCOCC2)nn1 ZINC000640939118 364756280 /nfs/dbraw/zinc/75/62/80/364756280.db2.gz JJIDKAVOAXYYLB-UHFFFAOYSA-N 1 2 264.373 1.509 20 30 CDEDLO CCc1ccnc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000563960701 364788104 /nfs/dbraw/zinc/78/81/04/364788104.db2.gz RKMUOPQZGNLPOI-CQSZACIVSA-N 1 2 260.341 1.218 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cncc(C)c2)nn1 ZINC000641071743 364950059 /nfs/dbraw/zinc/95/00/59/364950059.db2.gz LAHWSWXGORRJCL-UHFFFAOYSA-N 1 2 255.325 1.143 20 30 CDEDLO Cc1cccc(C[N@H+](C)Cc2cnc3c(C#N)cnn3c2)n1 ZINC000573091630 364962982 /nfs/dbraw/zinc/96/29/82/364962982.db2.gz BKIARNZWIPSPOM-UHFFFAOYSA-N 1 2 292.346 1.936 20 30 CDEDLO Cc1cccc(C[N@@H+](C)Cc2cnc3c(C#N)cnn3c2)n1 ZINC000573091630 364962984 /nfs/dbraw/zinc/96/29/84/364962984.db2.gz BKIARNZWIPSPOM-UHFFFAOYSA-N 1 2 292.346 1.936 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCc2c(F)cccc2F)nn1 ZINC000641132253 365090358 /nfs/dbraw/zinc/09/03/58/365090358.db2.gz DJVZJCZPJHCHFF-UHFFFAOYSA-N 1 2 290.317 1.912 20 30 CDEDLO N#CCCCCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000171732487 365373647 /nfs/dbraw/zinc/37/36/47/365373647.db2.gz RBFDGLUJXQUALO-UHFFFAOYSA-N 1 2 285.351 1.870 20 30 CDEDLO C=CC[N@H+](CC(=O)Nc1ccccn1)[C@@H](C)COC ZINC000639784795 365447917 /nfs/dbraw/zinc/44/79/17/365447917.db2.gz NRMMXLWKUPEEQI-LBPRGKRZSA-N 1 2 263.341 1.543 20 30 CDEDLO C=CC[N@@H+](CC(=O)Nc1ccccn1)[C@@H](C)COC ZINC000639784795 365447921 /nfs/dbraw/zinc/44/79/21/365447921.db2.gz NRMMXLWKUPEEQI-LBPRGKRZSA-N 1 2 263.341 1.543 20 30 CDEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCOc1ccccc1C#N ZINC000076018113 366949458 /nfs/dbraw/zinc/94/94/58/366949458.db2.gz QFQCIGRETDYMSW-VFGMZZLHSA-N 1 2 292.404 1.778 20 30 CDEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCOc1ccccc1C#N ZINC000076018113 366949466 /nfs/dbraw/zinc/94/94/66/366949466.db2.gz QFQCIGRETDYMSW-VFGMZZLHSA-N 1 2 292.404 1.778 20 30 CDEDLO N#Cc1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c[nH]1 ZINC000271954371 367042098 /nfs/dbraw/zinc/04/20/98/367042098.db2.gz FFCVQDPDZSWJCE-SNVBAGLBSA-N 1 2 269.308 1.629 20 30 CDEDLO C=CCOc1cccnc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000358166569 367484012 /nfs/dbraw/zinc/48/40/12/367484012.db2.gz MFHMTJDMEZSARD-UHFFFAOYSA-N 1 2 284.319 1.499 20 30 CDEDLO C=CCn1cccc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000358180944 367494757 /nfs/dbraw/zinc/49/47/57/367494757.db2.gz BQILQCWBTBDNBV-NSHDSACASA-N 1 2 270.336 1.685 20 30 CDEDLO C=CCn1cccc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000358180944 367494768 /nfs/dbraw/zinc/49/47/68/367494768.db2.gz BQILQCWBTBDNBV-NSHDSACASA-N 1 2 270.336 1.685 20 30 CDEDLO COc1cc(C[NH+]2CCN(CC#N)CC2)ccc1C#N ZINC000234983496 367632361 /nfs/dbraw/zinc/63/23/61/367632361.db2.gz BHFJFBZITPXIFA-UHFFFAOYSA-N 1 2 270.336 1.208 20 30 CDEDLO C=CCN(C(=O)c1ccc(-n2cc[nH+]c2)nn1)C1CC1 ZINC000539033993 368391006 /nfs/dbraw/zinc/39/10/06/368391006.db2.gz VQXHQZATIAZUHS-UHFFFAOYSA-N 1 2 269.308 1.453 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnc2ccccc2c1 ZINC000574210440 335001273 /nfs/dbraw/zinc/00/12/73/335001273.db2.gz TXVOLMICJMPKAW-INIZCTEOSA-N 1 2 282.347 1.808 20 30 CDEDLO N#Cc1cccc(CNC(=O)C[NH+]2CCSCC2)c1 ZINC000330583251 203002656 /nfs/dbraw/zinc/00/26/56/203002656.db2.gz RULGIERUXACBLI-UHFFFAOYSA-N 1 2 275.377 1.223 20 30 CDEDLO C=CCCCS(=O)(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660098488 412783953 /nfs/dbraw/zinc/78/39/53/412783953.db2.gz AHYIXXIQSASETR-JTQLQIEISA-N 1 2 257.359 1.367 20 30 CDEDLO Cc1ccccc1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000567558316 371031868 /nfs/dbraw/zinc/03/18/68/371031868.db2.gz GJAHFJRKOOOSHK-OAHLLOKOSA-N 1 2 259.353 1.498 20 30 CDEDLO C[C@H](C#N)CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000568800034 371231354 /nfs/dbraw/zinc/23/13/54/371231354.db2.gz IMBIRWWTLIFEFV-GHMZBOCLSA-N 1 2 261.329 1.079 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C#N)CCCCC1 ZINC000578023982 372228432 /nfs/dbraw/zinc/22/84/32/372228432.db2.gz KQASQPBVVIMNSP-LLVKDONJSA-N 1 2 260.341 1.931 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C#N)CCCCC1 ZINC000578023982 372228438 /nfs/dbraw/zinc/22/84/38/372228438.db2.gz KQASQPBVVIMNSP-LLVKDONJSA-N 1 2 260.341 1.931 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC000653943485 412797856 /nfs/dbraw/zinc/79/78/56/412797856.db2.gz YFXOWOCFQCJFBC-OLZOCXBDSA-N 1 2 263.341 1.513 20 30 CDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC1(C#N)CCC1 ZINC000579674121 372634063 /nfs/dbraw/zinc/63/40/63/372634063.db2.gz GYGLTRLKOCUTLG-CYBMUJFWSA-N 1 2 296.378 1.553 20 30 CDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CC1(C#N)CCC1 ZINC000579674121 372634067 /nfs/dbraw/zinc/63/40/67/372634067.db2.gz GYGLTRLKOCUTLG-CYBMUJFWSA-N 1 2 296.378 1.553 20 30 CDEDLO C=CCC[C@@H]1NC(=O)N([C@H]2C[C@@H](C)n3cc[nH+]c32)C1=O ZINC000581002180 372780635 /nfs/dbraw/zinc/78/06/35/372780635.db2.gz RQVHSQJLTSINHG-VWYCJHECSA-N 1 2 274.324 1.776 20 30 CDEDLO N#Cc1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)c(C(F)(F)F)c1 ZINC000356389173 373843184 /nfs/dbraw/zinc/84/31/84/373843184.db2.gz HVOIJFZGMAZGQF-RYUDHWBXSA-N 1 2 286.253 1.114 20 30 CDEDLO Cc1cc(N(C)CCCc2[nH]nc(N)c2C#N)nc[nH+]1 ZINC000301241210 373876750 /nfs/dbraw/zinc/87/67/50/373876750.db2.gz MNSJYOWKCIXGPW-UHFFFAOYSA-N 1 2 271.328 1.031 20 30 CDEDLO Cn1cc(CNc2ccc(N3CCCC3)c[nH+]2)cc1C#N ZINC000358363711 373953869 /nfs/dbraw/zinc/95/38/69/373953869.db2.gz LWRPIJVNIAQGQD-UHFFFAOYSA-N 1 2 281.363 1.926 20 30 CDEDLO C[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)c1cccc(C#N)c1 ZINC000360149795 374003216 /nfs/dbraw/zinc/00/32/16/374003216.db2.gz JSFWLKIGDYBLCC-IUODEOHRSA-N 1 2 287.363 1.109 20 30 CDEDLO C[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1cccc(C#N)c1 ZINC000360149795 374003221 /nfs/dbraw/zinc/00/32/21/374003221.db2.gz JSFWLKIGDYBLCC-IUODEOHRSA-N 1 2 287.363 1.109 20 30 CDEDLO COCC[N@H+](CCOc1cccc(C#N)c1)CC(=O)OC ZINC000074321667 374128894 /nfs/dbraw/zinc/12/88/94/374128894.db2.gz VZYYFFSCGYANPS-UHFFFAOYSA-N 1 2 292.335 1.058 20 30 CDEDLO COCC[N@@H+](CCOc1cccc(C#N)c1)CC(=O)OC ZINC000074321667 374128900 /nfs/dbraw/zinc/12/89/00/374128900.db2.gz VZYYFFSCGYANPS-UHFFFAOYSA-N 1 2 292.335 1.058 20 30 CDEDLO CNC(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000342373929 374157555 /nfs/dbraw/zinc/15/75/55/374157555.db2.gz NYNTYYADFFBRLG-ZDUSSCGKSA-N 1 2 291.782 1.695 20 30 CDEDLO CNC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000342373929 374157560 /nfs/dbraw/zinc/15/75/60/374157560.db2.gz NYNTYYADFFBRLG-ZDUSSCGKSA-N 1 2 291.782 1.695 20 30 CDEDLO C=CCCN(C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000342432839 374198566 /nfs/dbraw/zinc/19/85/66/374198566.db2.gz FIRQQVPLAQIYGW-CHWSQXEVSA-N 1 2 269.389 1.313 20 30 CDEDLO C[C@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)[C@H]1CO ZINC000248957711 374308064 /nfs/dbraw/zinc/30/80/64/374308064.db2.gz QMBBCOGYZSGPMH-ONGXEEELSA-N 1 2 279.365 1.261 20 30 CDEDLO C[C@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)[C@H]1CO ZINC000248957711 374308069 /nfs/dbraw/zinc/30/80/69/374308069.db2.gz QMBBCOGYZSGPMH-ONGXEEELSA-N 1 2 279.365 1.261 20 30 CDEDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115539749 374412070 /nfs/dbraw/zinc/41/20/70/374412070.db2.gz KVQAHBSUSKFIOQ-HNNXBMFYSA-N 1 2 297.362 1.340 20 30 CDEDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115539749 374412080 /nfs/dbraw/zinc/41/20/80/374412080.db2.gz KVQAHBSUSKFIOQ-HNNXBMFYSA-N 1 2 297.362 1.340 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)o1 ZINC000352988437 374498500 /nfs/dbraw/zinc/49/85/00/374498500.db2.gz PWOVTYCAUHNYJN-ZDUSSCGKSA-N 1 2 282.303 1.333 20 30 CDEDLO CS(=O)(=O)N1CCC[N@H+](Cc2cc(C#N)cs2)CC1 ZINC000125153427 374965597 /nfs/dbraw/zinc/96/55/97/374965597.db2.gz GLEPGOMBUYHNCK-UHFFFAOYSA-N 1 2 299.421 1.087 20 30 CDEDLO CS(=O)(=O)N1CCC[N@@H+](Cc2cc(C#N)cs2)CC1 ZINC000125153427 374965602 /nfs/dbraw/zinc/96/56/02/374965602.db2.gz GLEPGOMBUYHNCK-UHFFFAOYSA-N 1 2 299.421 1.087 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCOC[C@H](C)C1 ZINC000332284022 375022137 /nfs/dbraw/zinc/02/21/37/375022137.db2.gz RTSDCBYRRKNEJA-DOMZBBRYSA-N 1 2 288.347 1.741 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCOC[C@H](C)C1 ZINC000332284022 375022142 /nfs/dbraw/zinc/02/21/42/375022142.db2.gz RTSDCBYRRKNEJA-DOMZBBRYSA-N 1 2 288.347 1.741 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](O)C1 ZINC000216145998 375373955 /nfs/dbraw/zinc/37/39/55/375373955.db2.gz DYHKBXXQGFHTGD-WCQYABFASA-N 1 2 273.336 1.342 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](O)C1 ZINC000216145998 375373962 /nfs/dbraw/zinc/37/39/62/375373962.db2.gz DYHKBXXQGFHTGD-WCQYABFASA-N 1 2 273.336 1.342 20 30 CDEDLO N#Cc1cccc(C=CC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000493238917 375428117 /nfs/dbraw/zinc/42/81/17/375428117.db2.gz LJLSHUHCDXUZHZ-ZBKLQPJUSA-N 1 2 292.342 1.968 20 30 CDEDLO N#Cc1cccc(C=CC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000493238917 375428124 /nfs/dbraw/zinc/42/81/24/375428124.db2.gz LJLSHUHCDXUZHZ-ZBKLQPJUSA-N 1 2 292.342 1.968 20 30 CDEDLO N#Cc1cccc(NCC(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000427500188 247154469 /nfs/dbraw/zinc/15/44/69/247154469.db2.gz SQYRPKVRCOMQRM-UHFFFAOYSA-N 1 2 281.319 1.209 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000112560556 375808290 /nfs/dbraw/zinc/80/82/90/375808290.db2.gz OTRNBWNJQOMRPX-UONOGXRCSA-N 1 2 274.368 1.517 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000112560556 375808295 /nfs/dbraw/zinc/80/82/95/375808295.db2.gz OTRNBWNJQOMRPX-UONOGXRCSA-N 1 2 274.368 1.517 20 30 CDEDLO C#CCOc1ccc(C[NH+]2CCN(CCOC)CC2)cc1 ZINC000123009265 375821304 /nfs/dbraw/zinc/82/13/04/375821304.db2.gz SAZIFJBWISAFQT-UHFFFAOYSA-N 1 2 288.391 1.463 20 30 CDEDLO C#CCCCCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000123331903 375817670 /nfs/dbraw/zinc/81/76/70/375817670.db2.gz NSWIOQHFGPRNMB-AWEZNQCLSA-N 1 2 286.379 1.763 20 30 CDEDLO COc1ccccc1CNC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057907567 375826088 /nfs/dbraw/zinc/82/60/88/375826088.db2.gz ONAMRQXNIIVZLU-UHFFFAOYSA-N 1 2 287.363 1.547 20 30 CDEDLO C[C@@H]1C[C@@H]1CNC(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328608256 375892028 /nfs/dbraw/zinc/89/20/28/375892028.db2.gz LXGVHNSCEUFOEW-GRYCIOLGSA-N 1 2 262.357 1.920 20 30 CDEDLO CN(CC(=O)NC1CC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000328819024 375965332 /nfs/dbraw/zinc/96/53/32/375965332.db2.gz PJRRJPDGYGOHNO-JTQLQIEISA-N 1 2 276.340 1.023 20 30 CDEDLO CC(C)(C(=O)N[C@@H]1CCCOCC1)[NH+]1CCOCC1 ZINC000328692742 375930366 /nfs/dbraw/zinc/93/03/66/375930366.db2.gz RUAWHMARLNULLG-GFCCVEGCSA-N 1 2 270.373 1.623 20 30 CDEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@H]1CC[C@H](O)CC1 ZINC000328770629 375950958 /nfs/dbraw/zinc/95/09/58/375950958.db2.gz CNTLWWXHRUTDSK-AVGNSLFASA-N 1 2 292.383 1.568 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](OC)C1 ZINC000435035116 248151274 /nfs/dbraw/zinc/15/12/74/248151274.db2.gz PCENWXNFUAOPBO-KGLIPLIRSA-N 1 2 274.320 1.493 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](OC)C1 ZINC000435035116 248151279 /nfs/dbraw/zinc/15/12/79/248151279.db2.gz PCENWXNFUAOPBO-KGLIPLIRSA-N 1 2 274.320 1.493 20 30 CDEDLO N#Cc1nc(N)n(Cc2[nH+]ccn2-c2ccccc2)c1C#N ZINC000434642539 248123675 /nfs/dbraw/zinc/12/36/75/248123675.db2.gz JBJBRWXONSQDEC-UHFFFAOYSA-N 1 2 289.302 1.273 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000246667472 376968992 /nfs/dbraw/zinc/96/89/92/376968992.db2.gz DBNNYHBVFBXYIQ-LSDHHAIUSA-N 1 2 274.364 1.487 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000246667472 376968995 /nfs/dbraw/zinc/96/89/95/376968995.db2.gz DBNNYHBVFBXYIQ-LSDHHAIUSA-N 1 2 274.364 1.487 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000571772457 377519432 /nfs/dbraw/zinc/51/94/32/377519432.db2.gz YAVHZDIDBMACMM-GFCCVEGCSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000571772457 377519437 /nfs/dbraw/zinc/51/94/37/377519437.db2.gz YAVHZDIDBMACMM-GFCCVEGCSA-N 1 2 254.374 1.426 20 30 CDEDLO Cn1ncc2c1nc(N)[nH+]c2NCC1CCC(C#N)CC1 ZINC000571820589 377546512 /nfs/dbraw/zinc/54/65/12/377546512.db2.gz GOKAMXSABYJGPF-UHFFFAOYSA-N 1 2 285.355 1.518 20 30 CDEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000265606754 190193366 /nfs/dbraw/zinc/19/33/66/190193366.db2.gz KJEFBYXZOBTSBE-FMTVUPSXSA-N 1 2 262.378 1.900 20 30 CDEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000265606754 190193367 /nfs/dbraw/zinc/19/33/67/190193367.db2.gz KJEFBYXZOBTSBE-FMTVUPSXSA-N 1 2 262.378 1.900 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]([C@@H](C)C(=O)OC)C2CCC2)C1=O ZINC000281304033 377997360 /nfs/dbraw/zinc/99/73/60/377997360.db2.gz KEFMAOFYUKLUMG-AAEUAGOBSA-N 1 2 280.368 1.189 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]([C@@H](C)C(=O)OC)C2CCC2)C1=O ZINC000281304033 377997368 /nfs/dbraw/zinc/99/73/68/377997368.db2.gz KEFMAOFYUKLUMG-AAEUAGOBSA-N 1 2 280.368 1.189 20 30 CDEDLO C#C[C@H](NC(=O)NCc1ccc(N(C)C)[nH+]c1)C(C)C ZINC000282230482 378029733 /nfs/dbraw/zinc/02/97/33/378029733.db2.gz NJDBDOOFMGUJOI-ZDUSSCGKSA-N 1 2 274.368 1.605 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)C2=C(C)OCCS2)CC1 ZINC000287678283 378274970 /nfs/dbraw/zinc/27/49/70/378274970.db2.gz YRAUZFSRFOVHGD-UHFFFAOYSA-N 1 2 280.393 1.149 20 30 CDEDLO C=CCN1CC[C@H](N(C)c2cc(C)[nH+]c(CC)n2)C1=O ZINC000287889831 378293512 /nfs/dbraw/zinc/29/35/12/378293512.db2.gz UVDGIEYROZSVNR-LBPRGKRZSA-N 1 2 274.368 1.571 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000290221252 378367630 /nfs/dbraw/zinc/36/76/30/378367630.db2.gz SYWCOUBABXNQOH-VIFPVBQESA-N 1 2 266.238 1.054 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000290221252 378367641 /nfs/dbraw/zinc/36/76/41/378367641.db2.gz SYWCOUBABXNQOH-VIFPVBQESA-N 1 2 266.238 1.054 20 30 CDEDLO C=C[C@@H](CO)Nc1nc(NCC)[nH+]c(NC(C)(C)C)n1 ZINC000291095307 378449866 /nfs/dbraw/zinc/44/98/66/378449866.db2.gz JVGYPTIHNMKMHT-VIFPVBQESA-N 1 2 280.376 1.473 20 30 CDEDLO C=C[C@@H](CO)Nc1nc(NC(C)(C)C)nc(NCC)[nH+]1 ZINC000291095307 378449874 /nfs/dbraw/zinc/44/98/74/378449874.db2.gz JVGYPTIHNMKMHT-VIFPVBQESA-N 1 2 280.376 1.473 20 30 CDEDLO C=CCCCS(=O)(=O)NCCc1cn2ccccc2[nH+]1 ZINC000292879054 378522280 /nfs/dbraw/zinc/52/22/80/378522280.db2.gz FFTZZRNYHVPWKH-UHFFFAOYSA-N 1 2 293.392 1.762 20 30 CDEDLO C=CCCCS(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000292901607 378525848 /nfs/dbraw/zinc/52/58/48/378525848.db2.gz GQODOAQOFKTKJK-UHFFFAOYSA-N 1 2 257.359 1.148 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCc1cccc(OC)c1 ZINC000293196598 378561093 /nfs/dbraw/zinc/56/10/93/378561093.db2.gz QOSOYZGCHOHFSF-UHFFFAOYSA-N 1 2 260.337 1.267 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCc1cccc(OC)c1 ZINC000293196598 378561099 /nfs/dbraw/zinc/56/10/99/378561099.db2.gz QOSOYZGCHOHFSF-UHFFFAOYSA-N 1 2 260.337 1.267 20 30 CDEDLO C#CCOc1ccc(CNC(=O)NCc2[nH+]ccn2C)cc1 ZINC000296286698 378725374 /nfs/dbraw/zinc/72/53/74/378725374.db2.gz DZUWFILUPWUTJF-UHFFFAOYSA-N 1 2 298.346 1.432 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000343912897 379018522 /nfs/dbraw/zinc/01/85/22/379018522.db2.gz IJIVBLSGBXYTJH-INIZCTEOSA-N 1 2 298.427 1.442 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000343912897 379018529 /nfs/dbraw/zinc/01/85/29/379018529.db2.gz IJIVBLSGBXYTJH-INIZCTEOSA-N 1 2 298.427 1.442 20 30 CDEDLO N#Cc1csc(C(=O)NCC[NH+]2CCSCC2)c1 ZINC000267754070 190352989 /nfs/dbraw/zinc/35/29/89/190352989.db2.gz POXVLRFYDWGGJO-UHFFFAOYSA-N 1 2 281.406 1.398 20 30 CDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)/C=C/c3ccc(C#N)cc3)C[C@@H]21 ZINC000492144847 253164118 /nfs/dbraw/zinc/16/41/18/253164118.db2.gz KXHJKFHQKKYCMQ-BUWFCSEKSA-N 1 2 297.358 1.113 20 30 CDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)/C=C/c3ccc(C#N)cc3)C[C@@H]21 ZINC000492144847 253164120 /nfs/dbraw/zinc/16/41/20/253164120.db2.gz KXHJKFHQKKYCMQ-BUWFCSEKSA-N 1 2 297.358 1.113 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2sccc2OC)C1=O ZINC000281344908 195205374 /nfs/dbraw/zinc/20/53/74/195205374.db2.gz SZZPNZAUGILTHC-LLVKDONJSA-N 1 2 280.393 1.975 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2sccc2OC)C1=O ZINC000281344908 195205375 /nfs/dbraw/zinc/20/53/75/195205375.db2.gz SZZPNZAUGILTHC-LLVKDONJSA-N 1 2 280.393 1.975 20 30 CDEDLO C=CCN1CC[C@H]([NH2+][C@H](COC)c2ccco2)C1=O ZINC000281354420 195208789 /nfs/dbraw/zinc/20/87/89/195208789.db2.gz NJAFPDHHHOJBRG-NWDGAFQWSA-N 1 2 264.325 1.344 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N[C@H](C)CCC)C1=O ZINC000281493775 195262969 /nfs/dbraw/zinc/26/29/69/195262969.db2.gz XOMQLMIZPCNGDH-MCIONIFRSA-N 1 2 295.427 1.398 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N[C@H](C)CCC)C1=O ZINC000281493775 195262970 /nfs/dbraw/zinc/26/29/70/195262970.db2.gz XOMQLMIZPCNGDH-MCIONIFRSA-N 1 2 295.427 1.398 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000175578116 390241958 /nfs/dbraw/zinc/24/19/58/390241958.db2.gz FGZGLUQEFPNTCK-UHFFFAOYSA-N 1 2 283.335 1.903 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1Cc2ccccc2C1 ZINC000107306524 390572726 /nfs/dbraw/zinc/57/27/26/390572726.db2.gz MKOJGZRJYWTMKB-GFCCVEGCSA-N 1 2 257.337 1.763 20 30 CDEDLO NC(CCO)=[NH+]OCc1cccc(OCC(F)(F)F)c1 ZINC000136073496 390940933 /nfs/dbraw/zinc/94/09/33/390940933.db2.gz CRNGMWYKLFQSHZ-UHFFFAOYSA-N 1 2 292.257 1.799 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000367587276 390947265 /nfs/dbraw/zinc/94/72/65/390947265.db2.gz REZPQHIYQMRUJX-CABCVRRESA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000367587276 390947266 /nfs/dbraw/zinc/94/72/66/390947266.db2.gz REZPQHIYQMRUJX-CABCVRRESA-N 1 2 296.411 1.291 20 30 CDEDLO N#C[C@@H](c1ccccc1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000121386569 390885023 /nfs/dbraw/zinc/88/50/23/390885023.db2.gz AORULHSZUBVRKF-HNNXBMFYSA-N 1 2 281.363 1.792 20 30 CDEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OC(C)C)cn2)n1 ZINC000123821884 390911749 /nfs/dbraw/zinc/91/17/49/390911749.db2.gz OOVQMHOCVZUGSE-UHFFFAOYSA-N 1 2 273.340 1.929 20 30 CDEDLO C=CCCC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000154727249 390915337 /nfs/dbraw/zinc/91/53/37/390915337.db2.gz WYBLQGXARMKYJR-AWEZNQCLSA-N 1 2 293.411 1.108 20 30 CDEDLO CC[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CCO1 ZINC000329546976 391011748 /nfs/dbraw/zinc/01/17/48/391011748.db2.gz HHQOGTKOBHTUBR-WDEREUQCSA-N 1 2 278.356 1.292 20 30 CDEDLO CC[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CCO1 ZINC000329546976 391011752 /nfs/dbraw/zinc/01/17/52/391011752.db2.gz HHQOGTKOBHTUBR-WDEREUQCSA-N 1 2 278.356 1.292 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+]C(C)(C)c1nccs1 ZINC000173417110 391107118 /nfs/dbraw/zinc/10/71/18/391107118.db2.gz UWQYUAUEOFSETE-NSHDSACASA-N 1 2 294.424 1.976 20 30 CDEDLO Cc1cc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cnn1 ZINC000329687204 391082252 /nfs/dbraw/zinc/08/22/52/391082252.db2.gz YVWKDHSBDGPYCH-SNVBAGLBSA-N 1 2 257.297 1.370 20 30 CDEDLO Cc1cc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cnn1 ZINC000329687204 391082255 /nfs/dbraw/zinc/08/22/55/391082255.db2.gz YVWKDHSBDGPYCH-SNVBAGLBSA-N 1 2 257.297 1.370 20 30 CDEDLO CC(C)S(=O)(=O)CCC[NH+]1CCC(F)(C#N)CC1 ZINC000352464955 391148512 /nfs/dbraw/zinc/14/85/12/391148512.db2.gz ZIITXKMXNYHOIL-UHFFFAOYSA-N 1 2 276.377 1.527 20 30 CDEDLO N#CC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCSCC1 ZINC000373729485 391129210 /nfs/dbraw/zinc/12/92/10/391129210.db2.gz RRGJXKIQFFSGBM-LLVKDONJSA-N 1 2 290.392 1.351 20 30 CDEDLO C#C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)C(C)C ZINC000374105584 391147133 /nfs/dbraw/zinc/14/71/33/391147133.db2.gz HMVBPICNZDROKK-GJZGRUSLSA-N 1 2 278.396 1.261 20 30 CDEDLO C#C[C@H](NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)C(C)C ZINC000374105584 391147135 /nfs/dbraw/zinc/14/71/35/391147135.db2.gz HMVBPICNZDROKK-GJZGRUSLSA-N 1 2 278.396 1.261 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2c2cc(C)on2)C1=O ZINC000374100769 391147199 /nfs/dbraw/zinc/14/71/99/391147199.db2.gz VHTZTMOJYRZAQN-KBPBESRZSA-N 1 2 275.352 1.907 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2c2cc(C)on2)C1=O ZINC000374100769 391147201 /nfs/dbraw/zinc/14/72/01/391147201.db2.gz VHTZTMOJYRZAQN-KBPBESRZSA-N 1 2 275.352 1.907 20 30 CDEDLO CO[C@@H]1CCC[C@@H]1CNC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330196582 533386212 /nfs/dbraw/zinc/38/62/12/533386212.db2.gz QMVZQHCCOQDERE-JHJVBQTASA-N 1 2 292.383 1.517 20 30 CDEDLO CO[C@@H]1CCC[C@@H]1C[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330196582 533386218 /nfs/dbraw/zinc/38/62/18/533386218.db2.gz QMVZQHCCOQDERE-JHJVBQTASA-N 1 2 292.383 1.517 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NCCc1cccs1 ZINC000265165344 391151763 /nfs/dbraw/zinc/15/17/63/391151763.db2.gz XCJHHQATMZDEGA-NEPJUHHUSA-N 1 2 279.409 1.887 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NCCc1cccs1 ZINC000265165344 391151767 /nfs/dbraw/zinc/15/17/67/391151767.db2.gz XCJHHQATMZDEGA-NEPJUHHUSA-N 1 2 279.409 1.887 20 30 CDEDLO C#C[C@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C(C)C ZINC000374164372 391151876 /nfs/dbraw/zinc/15/18/76/391151876.db2.gz QSVHOWWWIZEXHM-LSDHHAIUSA-N 1 2 278.396 1.404 20 30 CDEDLO C#C[C@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C(C)C ZINC000374164372 391151881 /nfs/dbraw/zinc/15/18/81/391151881.db2.gz QSVHOWWWIZEXHM-LSDHHAIUSA-N 1 2 278.396 1.404 20 30 CDEDLO N#CC1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000177791986 391177147 /nfs/dbraw/zinc/17/71/47/391177147.db2.gz FLOAYYKENWLVAZ-UHFFFAOYSA-N 1 2 283.335 1.779 20 30 CDEDLO N#CCC[C@H](C#N)C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000267447428 391195245 /nfs/dbraw/zinc/19/52/45/391195245.db2.gz LOULCTXUQZZCKT-CQSZACIVSA-N 1 2 284.363 1.958 20 30 CDEDLO C=CC[C@H](C)NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000339535560 391312659 /nfs/dbraw/zinc/31/26/59/391312659.db2.gz JVKWERIKTKLUDY-NWDGAFQWSA-N 1 2 262.357 1.884 20 30 CDEDLO N#CC1(F)CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000343221410 391340544 /nfs/dbraw/zinc/34/05/44/391340544.db2.gz AQVZWXFFKDSVTE-UHFFFAOYSA-N 1 2 291.330 1.145 20 30 CDEDLO N#CC1(F)CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000343221410 391340548 /nfs/dbraw/zinc/34/05/48/391340548.db2.gz AQVZWXFFKDSVTE-UHFFFAOYSA-N 1 2 291.330 1.145 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000339747736 391342935 /nfs/dbraw/zinc/34/29/35/391342935.db2.gz AHSXKTNDQPVMFR-ZIAGYGMSSA-N 1 2 250.386 1.979 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000339747736 391342937 /nfs/dbraw/zinc/34/29/37/391342937.db2.gz AHSXKTNDQPVMFR-ZIAGYGMSSA-N 1 2 250.386 1.979 20 30 CDEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C[C@@H](C)O1 ZINC000346286465 391343988 /nfs/dbraw/zinc/34/39/88/391343988.db2.gz VAGPIYBLNNWEHC-JHJVBQTASA-N 1 2 279.384 1.437 20 30 CDEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C[C@@H](C)O1 ZINC000346286465 391343994 /nfs/dbraw/zinc/34/39/94/391343994.db2.gz VAGPIYBLNNWEHC-JHJVBQTASA-N 1 2 279.384 1.437 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000339751259 391345309 /nfs/dbraw/zinc/34/53/09/391345309.db2.gz KATBWGNVXYDGJG-UHFFFAOYSA-N 1 2 274.320 1.351 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000339751259 391345313 /nfs/dbraw/zinc/34/53/13/391345313.db2.gz KATBWGNVXYDGJG-UHFFFAOYSA-N 1 2 274.320 1.351 20 30 CDEDLO Cc1ccc2[nH+]cc(CN3CC(O)(CC#N)C3)n2c1 ZINC000190979379 391396647 /nfs/dbraw/zinc/39/66/47/391396647.db2.gz YNIDMJSYGQYRBY-UHFFFAOYSA-N 1 2 256.309 1.103 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCOC[C@]1(C)CC ZINC000330504342 391439892 /nfs/dbraw/zinc/43/98/92/391439892.db2.gz DUAMSVROEHSQPC-AWEZNQCLSA-N 1 2 267.373 1.249 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCOC[C@]1(C)CC ZINC000330504342 391439897 /nfs/dbraw/zinc/43/98/97/391439897.db2.gz DUAMSVROEHSQPC-AWEZNQCLSA-N 1 2 267.373 1.249 20 30 CDEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)NC(=O)NCC(C)C ZINC000330639721 391453185 /nfs/dbraw/zinc/45/31/85/391453185.db2.gz PLNLJVATNHQPPZ-VXGBXAGGSA-N 1 2 285.388 1.172 20 30 CDEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)NC(=O)NCC(C)C ZINC000330639721 391453187 /nfs/dbraw/zinc/45/31/87/391453187.db2.gz PLNLJVATNHQPPZ-VXGBXAGGSA-N 1 2 285.388 1.172 20 30 CDEDLO CC[C@H]1CCCCN1C(=O)C[N@H+](C)CCNC(=O)N(C)C ZINC000330621534 391460693 /nfs/dbraw/zinc/46/06/93/391460693.db2.gz MIEBVCNHSMKUIB-ZDUSSCGKSA-N 1 2 298.431 1.185 20 30 CDEDLO CC[C@H]1CCCCN1C(=O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000330621534 391460695 /nfs/dbraw/zinc/46/06/95/391460695.db2.gz MIEBVCNHSMKUIB-ZDUSSCGKSA-N 1 2 298.431 1.185 20 30 CDEDLO CC#CCCCC(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367092975 391548619 /nfs/dbraw/zinc/54/86/19/391548619.db2.gz QSCOKULZZKHUSY-OAHLLOKOSA-N 1 2 271.364 1.748 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](CCOC)Cc2ccco2)C1=O ZINC000281994542 391667737 /nfs/dbraw/zinc/66/77/37/391667737.db2.gz NBDPQJXALBQWBU-AWEZNQCLSA-N 1 2 278.352 1.515 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](CCOC)Cc2ccco2)C1=O ZINC000281994542 391667740 /nfs/dbraw/zinc/66/77/40/391667740.db2.gz NBDPQJXALBQWBU-AWEZNQCLSA-N 1 2 278.352 1.515 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@H](C)C1CCCC1)C(=O)OC ZINC000361110833 391682916 /nfs/dbraw/zinc/68/29/16/391682916.db2.gz IAPCRAOGFUHFNG-DGCLKSJQSA-N 1 2 255.358 1.899 20 30 CDEDLO C=CCOC[C@H]([NH2+]CC1(OC)CCCC1)C(=O)OC ZINC000361114012 391683647 /nfs/dbraw/zinc/68/36/47/391683647.db2.gz PXTQHLBTGNFUBU-LBPRGKRZSA-N 1 2 271.357 1.279 20 30 CDEDLO Cc1cc(-n2cc[nH+]c2)ccc1CN1CCO[C@H](C#N)C1 ZINC000192011800 391713873 /nfs/dbraw/zinc/71/38/73/391713873.db2.gz LDAOEOHYGIOKPU-MRXNPFEDSA-N 1 2 282.347 1.905 20 30 CDEDLO O=C(NCC[C@@H]1CCOC1)N1CCn2cc[nH+]c2C1 ZINC000329765494 391774933 /nfs/dbraw/zinc/77/49/33/391774933.db2.gz XAZHSNCLOILLQL-LLVKDONJSA-N 1 2 264.329 1.039 20 30 CDEDLO Cc1cc(N2CCN(Cc3[nH]cc[nH+]3)CC2)cc(C#N)n1 ZINC000342131736 130291369 /nfs/dbraw/zinc/29/13/69/130291369.db2.gz PZGFDXDDEUIVEO-UHFFFAOYSA-N 1 2 282.351 1.307 20 30 CDEDLO C[C@@H]1OCC[C@@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000329911930 391798746 /nfs/dbraw/zinc/79/87/46/391798746.db2.gz OBWHGWYYIIFPRC-RYUDHWBXSA-N 1 2 268.357 1.233 20 30 CDEDLO N#CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCCC1 ZINC000334202482 392030977 /nfs/dbraw/zinc/03/09/77/392030977.db2.gz SBNWNSYGZYRDFQ-LBPRGKRZSA-N 1 2 272.352 1.740 20 30 CDEDLO C=CCn1cc(C(=O)N[C@@H](CC)c2[nH]cc[nH+]2)nn1 ZINC000648863497 392111209 /nfs/dbraw/zinc/11/12/09/392111209.db2.gz GPDMNTSLPGMBOX-VIFPVBQESA-N 1 2 260.301 1.068 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000459381381 392430009 /nfs/dbraw/zinc/43/00/09/392430009.db2.gz AQFAAIVXUVRZTL-YGRLFVJLSA-N 1 2 275.308 1.669 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000459381381 392430013 /nfs/dbraw/zinc/43/00/13/392430013.db2.gz AQFAAIVXUVRZTL-YGRLFVJLSA-N 1 2 275.308 1.669 20 30 CDEDLO CC#CC[C@@H](CO)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000646329553 392532502 /nfs/dbraw/zinc/53/25/02/392532502.db2.gz KWUDIXYDYIFITO-LBPRGKRZSA-N 1 2 261.325 1.016 20 30 CDEDLO COc1ccc(C[NH+]2CC(c3nc(C)no3)C2)cc1C#N ZINC000459613094 392492771 /nfs/dbraw/zinc/49/27/71/392492771.db2.gz VKZMVURERJZRGR-UHFFFAOYSA-N 1 2 284.319 1.858 20 30 CDEDLO N#Cc1cccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000548640106 392499682 /nfs/dbraw/zinc/49/96/82/392499682.db2.gz MKLZOGZBZDHMLP-CYBMUJFWSA-N 1 2 266.304 1.500 20 30 CDEDLO N#Cc1cc(NC(=O)NCCn2cc[nH+]c2)ccc1F ZINC000171087875 292885130 /nfs/dbraw/zinc/88/51/30/292885130.db2.gz ZIQMYAORBPJANX-UHFFFAOYSA-N 1 2 273.271 1.716 20 30 CDEDLO CCN1CC[N@H+](Cc2ccc(C#N)c(C)c2)[C@@H](C)C1=O ZINC000488964044 392822834 /nfs/dbraw/zinc/82/28/34/392822834.db2.gz HMUUASHFHUFNHO-ZDUSSCGKSA-N 1 2 271.364 1.919 20 30 CDEDLO CCN1CC[N@@H+](Cc2ccc(C#N)c(C)c2)[C@@H](C)C1=O ZINC000488964044 392822838 /nfs/dbraw/zinc/82/28/38/392822838.db2.gz HMUUASHFHUFNHO-ZDUSSCGKSA-N 1 2 271.364 1.919 20 30 CDEDLO N#Cc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)c1 ZINC000523376847 392887049 /nfs/dbraw/zinc/88/70/49/392887049.db2.gz KURXFQJNBWOCPT-UHFFFAOYSA-N 1 2 290.286 1.786 20 30 CDEDLO N#Cc1ccc(NCCCCNc2cccc[nH+]2)nc1N ZINC000519835035 392850647 /nfs/dbraw/zinc/85/06/47/392850647.db2.gz OAUXRSNASGLDFS-UHFFFAOYSA-N 1 2 282.351 1.657 20 30 CDEDLO COC(=O)c1cc(CNc2cc(C)[nH+]cc2C#N)oc1C ZINC000425207116 392994170 /nfs/dbraw/zinc/99/41/70/392994170.db2.gz MJVFFJLHVNVCCR-UHFFFAOYSA-N 1 2 285.303 1.984 20 30 CDEDLO Cc1cc(NCCCN2CCCCC2=O)c(C#N)c[nH+]1 ZINC000425235539 393000971 /nfs/dbraw/zinc/00/09/71/393000971.db2.gz ZDWBGZMJFUNTCK-UHFFFAOYSA-N 1 2 272.352 1.498 20 30 CDEDLO CCOC(=O)C[C@H](C)CNc1cc(C)[nH+]cc1C#N ZINC000425247599 393003578 /nfs/dbraw/zinc/00/35/78/393003578.db2.gz OMSRBGPSVOXDAS-JTQLQIEISA-N 1 2 261.325 1.685 20 30 CDEDLO COCC1(O)CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425248075 393003963 /nfs/dbraw/zinc/00/39/63/393003963.db2.gz QFUSCUIUDPTPHN-UHFFFAOYSA-N 1 2 261.325 1.239 20 30 CDEDLO C[N@H+](Cc1cccnc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000132313013 393097932 /nfs/dbraw/zinc/09/79/32/393097932.db2.gz LNWSFXUXVXDZHP-HNNXBMFYSA-N 1 2 280.331 1.612 20 30 CDEDLO C[N@@H+](Cc1cccnc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000132313013 393097938 /nfs/dbraw/zinc/09/79/38/393097938.db2.gz LNWSFXUXVXDZHP-HNNXBMFYSA-N 1 2 280.331 1.612 20 30 CDEDLO N#Cc1ccc(Br)c(C[NH2+]C2(C(N)=O)CC2)c1 ZINC000191823227 393126537 /nfs/dbraw/zinc/12/65/37/393126537.db2.gz LNMWLFUJMSCYPG-UHFFFAOYSA-N 1 2 294.152 1.428 20 30 CDEDLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000155985766 393152318 /nfs/dbraw/zinc/15/23/18/393152318.db2.gz XMUHTPAWZQOLCP-CQSZACIVSA-N 1 2 290.363 1.865 20 30 CDEDLO C[N@H+](CC(=O)OC(C)(C)C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000155985766 393152321 /nfs/dbraw/zinc/15/23/21/393152321.db2.gz XMUHTPAWZQOLCP-CQSZACIVSA-N 1 2 290.363 1.865 20 30 CDEDLO Cn1nccc1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000091918247 135074498 /nfs/dbraw/zinc/07/44/98/135074498.db2.gz SSEUMWHMMSHAMV-UHFFFAOYSA-N 1 2 299.353 1.753 20 30 CDEDLO CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000221986865 140170979 /nfs/dbraw/zinc/17/09/79/140170979.db2.gz KVFUDDCRXXRQAU-CYBMUJFWSA-N 1 2 261.300 1.408 20 30 CDEDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000221986865 140170981 /nfs/dbraw/zinc/17/09/81/140170981.db2.gz KVFUDDCRXXRQAU-CYBMUJFWSA-N 1 2 261.300 1.408 20 30 CDEDLO C=CCCNc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000664226909 413160913 /nfs/dbraw/zinc/16/09/13/413160913.db2.gz TYLJEFJWTPFDGI-NEPJUHHUSA-N 1 2 262.357 1.672 20 30 CDEDLO C=CCCNc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000664226909 413160924 /nfs/dbraw/zinc/16/09/24/413160924.db2.gz TYLJEFJWTPFDGI-NEPJUHHUSA-N 1 2 262.357 1.672 20 30 CDEDLO Cc1nnc([C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)s1 ZINC000329544727 397652801 /nfs/dbraw/zinc/65/28/01/397652801.db2.gz YYJNNVQDSKLPTA-CBAPKCEASA-N 1 2 270.358 1.195 20 30 CDEDLO Cc1nnc([C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000329544727 397652802 /nfs/dbraw/zinc/65/28/02/397652802.db2.gz YYJNNVQDSKLPTA-CBAPKCEASA-N 1 2 270.358 1.195 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cncnc2C(C)C)CC1 ZINC000299659986 397838162 /nfs/dbraw/zinc/83/81/62/397838162.db2.gz LEZSUAIIFVWYQQ-UHFFFAOYSA-N 1 2 286.379 1.381 20 30 CDEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc(C#N)cs1 ZINC000093421929 147051224 /nfs/dbraw/zinc/05/12/24/147051224.db2.gz DAMLFCNOCQNLIH-UWVGGRQHSA-N 1 2 286.422 1.873 20 30 CDEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000093421929 147051227 /nfs/dbraw/zinc/05/12/27/147051227.db2.gz DAMLFCNOCQNLIH-UWVGGRQHSA-N 1 2 286.422 1.873 20 30 CDEDLO Cn1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cn1 ZINC000101558158 147134841 /nfs/dbraw/zinc/13/48/41/147134841.db2.gz QURKGLYFYUGXNK-UHFFFAOYSA-N 1 2 299.353 1.753 20 30 CDEDLO C[N@H+](Cc1cn2ccccc2c1C#N)[C@H]1CCCCNC1=O ZINC000105613867 147223920 /nfs/dbraw/zinc/22/39/20/147223920.db2.gz NGBKOCMXMORDLV-INIZCTEOSA-N 1 2 296.374 1.911 20 30 CDEDLO C[N@@H+](Cc1cn2ccccc2c1C#N)[C@H]1CCCCNC1=O ZINC000105613867 147223923 /nfs/dbraw/zinc/22/39/23/147223923.db2.gz NGBKOCMXMORDLV-INIZCTEOSA-N 1 2 296.374 1.911 20 30 CDEDLO N#Cc1ccc(F)c(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000119035723 147301968 /nfs/dbraw/zinc/30/19/68/147301968.db2.gz RIKCBURVOIUYOY-LBPRGKRZSA-N 1 2 298.321 1.773 20 30 CDEDLO Cn1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cn1 ZINC000372342014 160108047 /nfs/dbraw/zinc/10/80/47/160108047.db2.gz MQPFESQBMPEVLF-INIZCTEOSA-N 1 2 282.347 1.865 20 30 CDEDLO Cn1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cn1 ZINC000372342014 160108049 /nfs/dbraw/zinc/10/80/49/160108049.db2.gz MQPFESQBMPEVLF-INIZCTEOSA-N 1 2 282.347 1.865 20 30 CDEDLO Cn1c[nH+]c2c1CCN(Cc1ccc(C#N)s1)C2 ZINC000374421970 160285254 /nfs/dbraw/zinc/28/52/54/160285254.db2.gz QDZBMLUTDBKFNQ-UHFFFAOYSA-N 1 2 258.350 1.912 20 30 CDEDLO COC(=O)[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000285134430 196204474 /nfs/dbraw/zinc/20/44/74/196204474.db2.gz SNXARRFEJRKRKD-UONOGXRCSA-N 1 2 274.320 1.133 20 30 CDEDLO C=CCN(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[C@H](C)COC ZINC000664713985 413604909 /nfs/dbraw/zinc/60/49/09/413604909.db2.gz GOWPFBACZJFSOO-CHWSQXEVSA-N 1 2 292.383 1.430 20 30 CDEDLO C=CCCn1cc(C[NH2+]CC(=O)NC2CCCCC2)nn1 ZINC000657356211 414224999 /nfs/dbraw/zinc/22/49/99/414224999.db2.gz IGFQFYDZHLDXMA-UHFFFAOYSA-N 1 2 291.399 1.393 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@H]2CCCc3cn[nH]c32)nn1 ZINC000657400075 414286144 /nfs/dbraw/zinc/28/61/44/414286144.db2.gz PCMDPIPMUYWXRW-ZDUSSCGKSA-N 1 2 272.356 1.745 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@H]2CCCc3c[nH]nc32)nn1 ZINC000657400075 414286151 /nfs/dbraw/zinc/28/61/51/414286151.db2.gz PCMDPIPMUYWXRW-ZDUSSCGKSA-N 1 2 272.356 1.745 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000043507532 175059644 /nfs/dbraw/zinc/05/96/44/175059644.db2.gz OMUSAVCPJRCHRJ-UHFFFAOYSA-N 1 2 261.300 1.608 20 30 CDEDLO C=CCOc1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000070990393 176019400 /nfs/dbraw/zinc/01/94/00/176019400.db2.gz MJBLAOHMBVWFCJ-UHFFFAOYSA-N 1 2 257.293 1.905 20 30 CDEDLO O=C(NC[C@@H]1CCCCO1)C1([NH+]2CCOCC2)CCC1 ZINC000329122316 227311981 /nfs/dbraw/zinc/31/19/81/227311981.db2.gz WRAGNSDORUPUJQ-ZDUSSCGKSA-N 1 2 282.384 1.767 20 30 CDEDLO Cn1cc(C[NH+]2CCN(C(=O)NCC3CCC3)CC2)cn1 ZINC000329184864 227343215 /nfs/dbraw/zinc/34/32/15/227343215.db2.gz PWAYKJGEQPCMPJ-UHFFFAOYSA-N 1 2 291.399 1.252 20 30 CDEDLO COC1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000329966726 228000059 /nfs/dbraw/zinc/00/00/59/228000059.db2.gz VSGQYVRBHKJVBC-LBPRGKRZSA-N 1 2 292.383 1.785 20 30 CDEDLO Cc1nc(C)c(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)s1 ZINC000329983510 228006584 /nfs/dbraw/zinc/00/65/84/228006584.db2.gz PRKCJLQTEXSXME-QWRGUYRKSA-N 1 2 296.396 1.320 20 30 CDEDLO Cc1nc(C)c(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)s1 ZINC000329983510 228006587 /nfs/dbraw/zinc/00/65/87/228006587.db2.gz PRKCJLQTEXSXME-QWRGUYRKSA-N 1 2 296.396 1.320 20 30 CDEDLO Cc1ncoc1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000329994688 228010065 /nfs/dbraw/zinc/01/00/65/228010065.db2.gz MLOXDNRDJHQSNQ-KOLCDFICSA-N 1 2 267.329 1.397 20 30 CDEDLO [O-]C(NCC[C@@H]1CCCCO1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330182706 228058593 /nfs/dbraw/zinc/05/85/93/228058593.db2.gz HLBZQPCWJYPEKY-STQMWFEESA-N 1 2 292.383 1.661 20 30 CDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]CC[C@@H]1CCCCO1 ZINC000330182706 228058595 /nfs/dbraw/zinc/05/85/95/228058595.db2.gz HLBZQPCWJYPEKY-STQMWFEESA-N 1 2 292.383 1.661 20 30 CDEDLO C[C@H]([NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCCO1 ZINC000330186368 228060194 /nfs/dbraw/zinc/06/01/94/228060194.db2.gz RYOBNYZDCHWKFO-TUAOUCFPSA-N 1 2 278.356 1.269 20 30 CDEDLO C[C@H](NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCCO1 ZINC000330186368 228060196 /nfs/dbraw/zinc/06/01/96/228060196.db2.gz RYOBNYZDCHWKFO-TUAOUCFPSA-N 1 2 278.356 1.269 20 30 CDEDLO C[C@H]1OCC[C@H]1[NH+]=C([O-])N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000330272823 228088248 /nfs/dbraw/zinc/08/82/48/228088248.db2.gz YFAGDRIORHZCNB-FRRDWIJNSA-N 1 2 278.356 1.439 20 30 CDEDLO C[C@H]1OCC[C@H]1NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000330272823 228088251 /nfs/dbraw/zinc/08/82/51/228088251.db2.gz YFAGDRIORHZCNB-FRRDWIJNSA-N 1 2 278.356 1.439 20 30 CDEDLO COC(=O)[C@@H]([C@H](C)O)[N@H+](CCCC#N)Cc1ccccc1 ZINC000351968907 228170345 /nfs/dbraw/zinc/17/03/45/228170345.db2.gz TYBWYSJITMSZPM-DZGCQCFKSA-N 1 2 290.363 1.715 20 30 CDEDLO COC(=O)[C@@H]([C@H](C)O)[N@@H+](CCCC#N)Cc1ccccc1 ZINC000351968907 228170346 /nfs/dbraw/zinc/17/03/46/228170346.db2.gz TYBWYSJITMSZPM-DZGCQCFKSA-N 1 2 290.363 1.715 20 30 CDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCCOc1ccccc1 ZINC000112336056 260661153 /nfs/dbraw/zinc/66/11/53/260661153.db2.gz LXMCQCLLQAVNNF-UHFFFAOYSA-N 1 2 279.340 1.269 20 30 CDEDLO COc1cccc(C(N)=[NH+]OCCC2OCCO2)c1 ZINC000120267044 260702043 /nfs/dbraw/zinc/70/20/43/260702043.db2.gz BHJQOBCJNGITFL-UHFFFAOYSA-N 1 2 266.297 1.095 20 30 CDEDLO CC#CCCO[NH+]=C(N)c1ccc(-n2nc(C)cc2C)nc1 ZINC000154866835 261095851 /nfs/dbraw/zinc/09/58/51/261095851.db2.gz PHVRNTFQCHIMPG-UHFFFAOYSA-N 1 2 297.362 1.934 20 30 CDEDLO C#CC(C)(C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000490657597 261179876 /nfs/dbraw/zinc/17/98/76/261179876.db2.gz XIFANDXEGNGJBT-UHFFFAOYSA-N 1 2 298.302 1.922 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000490830434 261219119 /nfs/dbraw/zinc/21/91/19/261219119.db2.gz KOVYZOZBMDYUBU-BXKDBHETSA-N 1 2 298.745 1.240 20 30 CDEDLO N#CCN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000103882392 261336015 /nfs/dbraw/zinc/33/60/15/261336015.db2.gz BLMQCAVTXLYWDO-UHFFFAOYSA-N 1 2 260.297 1.236 20 30 CDEDLO COC[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1ccc(C)o1 ZINC000184729219 262027623 /nfs/dbraw/zinc/02/76/23/262027623.db2.gz ZTKBSSXDYFKXMP-QWHCGFSZSA-N 1 2 293.367 1.626 20 30 CDEDLO C=CCCOCCNC(=O)/C=C/c1[nH+]ccn1CC ZINC000492465408 262217423 /nfs/dbraw/zinc/21/74/23/262217423.db2.gz YRDNKBZVJAWTSY-VOTSOKGWSA-N 1 2 263.341 1.625 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000111277075 262260148 /nfs/dbraw/zinc/26/01/48/262260148.db2.gz FHYDIXJGHIXQIL-KBPBESRZSA-N 1 2 268.401 1.910 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000111277075 262260151 /nfs/dbraw/zinc/26/01/51/262260151.db2.gz FHYDIXJGHIXQIL-KBPBESRZSA-N 1 2 268.401 1.910 20 30 CDEDLO C=CC1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000111456395 262263426 /nfs/dbraw/zinc/26/34/26/262263426.db2.gz VINXPGLNJCDSMI-CYBMUJFWSA-N 1 2 281.400 1.315 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000336830690 262397375 /nfs/dbraw/zinc/39/73/75/262397375.db2.gz NBHUMYIIKFBLOK-LBPRGKRZSA-N 1 2 295.408 1.528 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000336830690 262397377 /nfs/dbraw/zinc/39/73/77/262397377.db2.gz NBHUMYIIKFBLOK-LBPRGKRZSA-N 1 2 295.408 1.528 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)C(C)(C)C(=O)OCC)C1=O ZINC000337191324 262430769 /nfs/dbraw/zinc/43/07/69/262430769.db2.gz TXIKEKYHZMCLGS-NSHDSACASA-N 1 2 268.357 1.047 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)C(C)(C)C(=O)OCC)C1=O ZINC000337191324 262430771 /nfs/dbraw/zinc/43/07/71/262430771.db2.gz TXIKEKYHZMCLGS-NSHDSACASA-N 1 2 268.357 1.047 20 30 CDEDLO NC(CCO)=[NH+]OCc1ccc(OCC(F)(F)F)cc1 ZINC000275560855 263033637 /nfs/dbraw/zinc/03/36/37/263033637.db2.gz WJDZYCNDCVLPTN-UHFFFAOYSA-N 1 2 292.257 1.799 20 30 CDEDLO N#CCCCNc1cc(N2CCSCC2)nc[nH+]1 ZINC000277780820 263043269 /nfs/dbraw/zinc/04/32/69/263043269.db2.gz LWTYDRJTLJVKKJ-UHFFFAOYSA-N 1 2 263.370 1.745 20 30 CDEDLO N#CCCCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000277780820 263043270 /nfs/dbraw/zinc/04/32/70/263043270.db2.gz LWTYDRJTLJVKKJ-UHFFFAOYSA-N 1 2 263.370 1.745 20 30 CDEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)C1 ZINC000278658642 263049505 /nfs/dbraw/zinc/04/95/05/263049505.db2.gz QHTZTFLSGFFVGX-HIFRSBDPSA-N 1 2 299.374 1.842 20 30 CDEDLO Cc1ccc(OC(F)F)c(CO[NH+]=C(N)CCO)c1 ZINC000291870346 263126181 /nfs/dbraw/zinc/12/61/81/263126181.db2.gz JVSKKCMXZAFCTD-UHFFFAOYSA-N 1 2 274.267 1.768 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccccn1 ZINC000295113006 263172807 /nfs/dbraw/zinc/17/28/07/263172807.db2.gz HTZWVRHDDYXDBK-OAHLLOKOSA-N 1 2 274.368 1.568 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccccn1 ZINC000295113006 263172808 /nfs/dbraw/zinc/17/28/08/263172808.db2.gz HTZWVRHDDYXDBK-OAHLLOKOSA-N 1 2 274.368 1.568 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1ccccn1 ZINC000295240884 263174835 /nfs/dbraw/zinc/17/48/35/263174835.db2.gz YBFMURBFMVEJGH-ZDUSSCGKSA-N 1 2 274.368 1.522 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccccn1 ZINC000295240884 263174836 /nfs/dbraw/zinc/17/48/36/263174836.db2.gz YBFMURBFMVEJGH-ZDUSSCGKSA-N 1 2 274.368 1.522 20 30 CDEDLO Cc1cc2[nH+]cn(C[C@@H](O)CN3CC(C)(C#N)C3)c2cc1C ZINC000296178755 263187072 /nfs/dbraw/zinc/18/70/72/263187072.db2.gz NVTYEMZMEVUSBT-AWEZNQCLSA-N 1 2 298.390 1.860 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)NCCCNc1cccc[nH+]1 ZINC000341858454 263355834 /nfs/dbraw/zinc/35/58/34/263355834.db2.gz HJLXNHKEYHJLHN-ZDUSSCGKSA-N 1 2 292.383 1.367 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2cncc(F)c2)CC1 ZINC000341983788 263370815 /nfs/dbraw/zinc/37/08/15/263370815.db2.gz CLQBCBLMHWWBDK-UHFFFAOYSA-N 1 2 263.316 1.973 20 30 CDEDLO Cc1ccc(NC(=O)N(C)CCNC(=O)N(C)C)c(C)[nH+]1 ZINC000330691482 264003894 /nfs/dbraw/zinc/00/38/94/264003894.db2.gz GPMFITCDLNLRAR-UHFFFAOYSA-N 1 2 293.371 1.651 20 30 CDEDLO N#CCCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000331147896 264138644 /nfs/dbraw/zinc/13/86/44/264138644.db2.gz MSYOQXJKMJGMAC-UHFFFAOYSA-N 1 2 287.367 1.989 20 30 CDEDLO N#CCCNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000331132524 264148655 /nfs/dbraw/zinc/14/86/55/264148655.db2.gz HDGSIHYQLZKODL-UHFFFAOYSA-N 1 2 273.340 1.027 20 30 CDEDLO Cc1oc(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2C#N)c(C#N)c1C ZINC000331359722 264209282 /nfs/dbraw/zinc/20/92/82/264209282.db2.gz WWDXUKLVLLCHPA-DGCLKSJQSA-N 1 2 286.335 1.989 20 30 CDEDLO C=CCCn1cc(C[N@H+](C)C[C@H]2CCCCO2)nn1 ZINC000653504938 424224683 /nfs/dbraw/zinc/22/46/83/424224683.db2.gz PYYVJPJAPXOYNC-CQSZACIVSA-N 1 2 264.373 1.855 20 30 CDEDLO C=CCCn1cc(C[N@@H+](C)C[C@H]2CCCCO2)nn1 ZINC000653504938 424224691 /nfs/dbraw/zinc/22/46/91/424224691.db2.gz PYYVJPJAPXOYNC-CQSZACIVSA-N 1 2 264.373 1.855 20 30 CDEDLO C[C@@H]([NH2+]CC(=O)NCC#N)c1nc(C2CCCCC2)no1 ZINC000185234789 265010968 /nfs/dbraw/zinc/01/09/68/265010968.db2.gz XAVLLXTVHRJVTH-SNVBAGLBSA-N 1 2 291.355 1.408 20 30 CDEDLO C=CCN(CCOC)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000357164878 266258482 /nfs/dbraw/zinc/25/84/82/266258482.db2.gz NVZUCRDZOFAMSB-OAHLLOKOSA-N 1 2 296.411 1.291 20 30 CDEDLO C=CCN(CCOC)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000357164878 266258486 /nfs/dbraw/zinc/25/84/86/266258486.db2.gz NVZUCRDZOFAMSB-OAHLLOKOSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C[C@@H](C)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000362601830 267019339 /nfs/dbraw/zinc/01/93/39/267019339.db2.gz RINOHXSDXSUELY-CYBMUJFWSA-N 1 2 274.364 1.823 20 30 CDEDLO C=C(C)Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000369250366 267229363 /nfs/dbraw/zinc/22/93/63/267229363.db2.gz LIVQJBPGENDVJY-HNNXBMFYSA-N 1 2 299.378 1.823 20 30 CDEDLO C=C(C)Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000369250366 267229365 /nfs/dbraw/zinc/22/93/65/267229365.db2.gz LIVQJBPGENDVJY-HNNXBMFYSA-N 1 2 299.378 1.823 20 30 CDEDLO C=CCCS(=O)(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000371291461 267383584 /nfs/dbraw/zinc/38/35/84/267383584.db2.gz ZEXZLADZTSIARR-LBPRGKRZSA-N 1 2 283.397 1.564 20 30 CDEDLO CCN1CCN(c2ncccc2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530480693 269656786 /nfs/dbraw/zinc/65/67/86/269656786.db2.gz IVPMTTYTWSVJBB-CYBMUJFWSA-N 1 2 282.351 1.560 20 30 CDEDLO COC(=O)[C@H]1CCN(c2cc(C)[nH+]cc2C#N)C[C@H]1C ZINC000425256620 277130659 /nfs/dbraw/zinc/13/06/59/277130659.db2.gz PBCLJPMKYQTSRV-MFKMUULPSA-N 1 2 273.336 1.897 20 30 CDEDLO N#Cc1ccc(CNC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000047597195 279152753 /nfs/dbraw/zinc/15/27/53/279152753.db2.gz CKTWUJJYYBNXQX-UHFFFAOYSA-N 1 2 283.335 1.644 20 30 CDEDLO O=C1OCC[C@]12CCC[N@H+]2CC#Cc1ccc(F)cc1 ZINC000186620012 280309059 /nfs/dbraw/zinc/30/90/59/280309059.db2.gz WLCIDPKOWGHJEL-MRXNPFEDSA-N 1 2 273.307 1.959 20 30 CDEDLO O=C1OCC[C@]12CCC[N@@H+]2CC#Cc1ccc(F)cc1 ZINC000186620012 280309062 /nfs/dbraw/zinc/30/90/62/280309062.db2.gz WLCIDPKOWGHJEL-MRXNPFEDSA-N 1 2 273.307 1.959 20 30 CDEDLO C[C@@H]1[C@H](C)N(C(=O)c2sccc2C#N)CC[N@@H+]1C ZINC000335947294 289012996 /nfs/dbraw/zinc/01/29/96/289012996.db2.gz SAZYXERGWGDUHI-ZJUUUORDSA-N 1 2 263.366 1.784 20 30 CDEDLO C[C@@H]1[C@H](C)N(C(=O)c2sccc2C#N)CC[N@H+]1C ZINC000335947294 289012994 /nfs/dbraw/zinc/01/29/94/289012994.db2.gz SAZYXERGWGDUHI-ZJUUUORDSA-N 1 2 263.366 1.784 20 30 CDEDLO CN(Cc1ccc(C#N)cc1)C(=O)Cc1c[nH+]cn1C ZINC000548519527 289898358 /nfs/dbraw/zinc/89/83/58/289898358.db2.gz LADFIMVPIFGWDC-UHFFFAOYSA-N 1 2 268.320 1.493 20 30 CDEDLO CO[C@H]1C[C@@H]([N@H+](C)Cc2ncc(C#N)cn2)C12CCC2 ZINC000557259514 290339799 /nfs/dbraw/zinc/33/97/99/290339799.db2.gz IQJFFNPPSOPRCA-OLZOCXBDSA-N 1 2 272.352 1.738 20 30 CDEDLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ncc(C#N)cn2)C12CCC2 ZINC000557259514 290339801 /nfs/dbraw/zinc/33/98/01/290339801.db2.gz IQJFFNPPSOPRCA-OLZOCXBDSA-N 1 2 272.352 1.738 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)cn1)C1CC1 ZINC000557492922 290348349 /nfs/dbraw/zinc/34/83/49/290348349.db2.gz XUCROBOMIIPXOG-CYBMUJFWSA-N 1 2 281.319 1.568 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)NCCc1cccc(C#N)c1 ZINC000561562983 293092903 /nfs/dbraw/zinc/09/29/03/293092903.db2.gz JVNUHCRQFXHARR-UHFFFAOYSA-N 1 2 268.320 1.193 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CCCNc1ccnc(C#N)n1 ZINC000562121668 293114575 /nfs/dbraw/zinc/11/45/75/293114575.db2.gz GSGPPWPHPBCNJV-UHFFFAOYSA-N 1 2 292.346 1.931 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc2ccncc2n1 ZINC000563220175 327980315 /nfs/dbraw/zinc/98/03/15/327980315.db2.gz GTRIHGQIOCTYET-HNNXBMFYSA-N 1 2 283.335 1.203 20 30 CDEDLO C=CCN(CCOC)C(=O)CCc1c[nH+]cn1C ZINC000339177044 327999259 /nfs/dbraw/zinc/99/92/59/327999259.db2.gz YPLAJGJFAXZRNR-UHFFFAOYSA-N 1 2 251.330 1.014 20 30 CDEDLO N#CCCCS(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267604194 328179330 /nfs/dbraw/zinc/17/93/30/328179330.db2.gz XZNYFBALKBIAAY-UHFFFAOYSA-N 1 2 282.369 1.223 20 30 CDEDLO CN(CCC#N)c1ccc(C[NH2+][C@@]2(C)CCOC2=O)cc1 ZINC000289850969 328256330 /nfs/dbraw/zinc/25/63/30/328256330.db2.gz PQKPCBDSXMKZJH-INIZCTEOSA-N 1 2 287.363 1.832 20 30 CDEDLO N#Cc1cc(N2CC[NH+](Cc3ccco3)CC2)ncn1 ZINC000583790031 325240164 /nfs/dbraw/zinc/24/01/64/325240164.db2.gz FZKYUCGAPXLQMG-UHFFFAOYSA-N 1 2 269.308 1.263 20 30 CDEDLO CC[C@@H]1CCC[C@@H]1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000584116898 327042342 /nfs/dbraw/zinc/04/23/42/327042342.db2.gz OGUOBFYUOAKAEJ-DYEKYZERSA-N 1 2 251.374 1.773 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1c(F)cccc1F ZINC000558899159 327130236 /nfs/dbraw/zinc/13/02/36/327130236.db2.gz QQXDVCLMUYDZHP-CYBMUJFWSA-N 1 2 267.279 1.538 20 30 CDEDLO CO[NH+]=C(N)c1cccc(Cn2nc(C)cc2C)c1 ZINC000151345550 327548768 /nfs/dbraw/zinc/54/87/68/327548768.db2.gz FBPNJNDYIUVIGO-UHFFFAOYSA-N 1 2 258.325 1.815 20 30 CDEDLO C=CCOCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536015757 328652032 /nfs/dbraw/zinc/65/20/32/328652032.db2.gz LBCOZDVQBQKGPR-UHFFFAOYSA-N 1 2 280.393 1.595 20 30 CDEDLO C=CCOCCCC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000374329015 328991972 /nfs/dbraw/zinc/99/19/72/328991972.db2.gz DLDKZSARKMFJIS-CYBMUJFWSA-N 1 2 277.368 1.719 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N1CCn2c[nH+]cc2C1 ZINC000378106737 329040209 /nfs/dbraw/zinc/04/02/09/329040209.db2.gz IKIXRTXLIIVNQA-AWEZNQCLSA-N 1 2 263.341 1.454 20 30 CDEDLO N#CCCN(CC1CC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000132107857 329643806 /nfs/dbraw/zinc/64/38/06/329643806.db2.gz YSAGRBLAJOOSKJ-CYBMUJFWSA-N 1 2 272.352 1.598 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000572457123 330109742 /nfs/dbraw/zinc/10/97/42/330109742.db2.gz NYFOSGPPPKYKMW-CYBMUJFWSA-N 1 2 276.296 1.168 20 30 CDEDLO CC(C)(C#N)CC[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000450897245 331005697 /nfs/dbraw/zinc/00/56/97/331005697.db2.gz QOWILGPQFILQIB-SNVBAGLBSA-N 1 2 264.329 1.894 20 30 CDEDLO CC[N@@H+]1CCN(S(=O)(=O)CC2(CC#N)CC2)[C@H](C)C1 ZINC000451528628 331032593 /nfs/dbraw/zinc/03/25/93/331032593.db2.gz FWSPNDCVNKRMFR-GFCCVEGCSA-N 1 2 285.413 1.036 20 30 CDEDLO CC[N@H+]1CCN(S(=O)(=O)CC2(CC#N)CC2)[C@H](C)C1 ZINC000451528628 331032594 /nfs/dbraw/zinc/03/25/94/331032594.db2.gz FWSPNDCVNKRMFR-GFCCVEGCSA-N 1 2 285.413 1.036 20 30 CDEDLO C=C(CC)CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000454995847 331158472 /nfs/dbraw/zinc/15/84/72/331158472.db2.gz RMZJMKLBRKWBFB-CYBMUJFWSA-N 1 2 267.373 1.115 20 30 CDEDLO C=C(CC)CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000454995847 331158473 /nfs/dbraw/zinc/15/84/73/331158473.db2.gz RMZJMKLBRKWBFB-CYBMUJFWSA-N 1 2 267.373 1.115 20 30 CDEDLO CC[C@@H](C(=O)NCC(C)(C)CC#N)[N@@H+]1CCO[C@@H](CC)C1 ZINC000458013670 331240856 /nfs/dbraw/zinc/24/08/56/331240856.db2.gz BNWMZKLTJODVPZ-KBPBESRZSA-N 1 2 295.427 1.932 20 30 CDEDLO CC[C@@H](C(=O)NCC(C)(C)CC#N)[N@H+]1CCO[C@@H](CC)C1 ZINC000458013670 331240857 /nfs/dbraw/zinc/24/08/57/331240857.db2.gz BNWMZKLTJODVPZ-KBPBESRZSA-N 1 2 295.427 1.932 20 30 CDEDLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)NCC#N ZINC000490066620 332079815 /nfs/dbraw/zinc/07/98/15/332079815.db2.gz LYUOQLKIOMEKDC-CYBMUJFWSA-N 1 2 295.770 1.599 20 30 CDEDLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)NCC#N ZINC000490066620 332079816 /nfs/dbraw/zinc/07/98/16/332079816.db2.gz LYUOQLKIOMEKDC-CYBMUJFWSA-N 1 2 295.770 1.599 20 30 CDEDLO C#CCN(CC#CC)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000490676974 332102631 /nfs/dbraw/zinc/10/26/31/332102631.db2.gz IXTHOJIIBRYFGN-UHFFFAOYSA-N 1 2 284.363 1.316 20 30 CDEDLO C#CC[N@@H+](Cn1c2cnccc2n(C)c1=O)C1CCCCC1 ZINC000490820779 332117787 /nfs/dbraw/zinc/11/77/87/332117787.db2.gz PJKQRQUMQNZXFB-UHFFFAOYSA-N 1 2 298.390 1.960 20 30 CDEDLO C#CC[N@H+](Cn1c2cnccc2n(C)c1=O)C1CCCCC1 ZINC000490820779 332117788 /nfs/dbraw/zinc/11/77/88/332117788.db2.gz PJKQRQUMQNZXFB-UHFFFAOYSA-N 1 2 298.390 1.960 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000490891841 332125239 /nfs/dbraw/zinc/12/52/39/332125239.db2.gz HITLZVPEOYWEJW-LLVKDONJSA-N 1 2 299.399 1.833 20 30 CDEDLO C#CCN(Cc1ccc(F)cc1)C(=O)Cc1c[nH+]cn1C ZINC000491039065 332141378 /nfs/dbraw/zinc/14/13/78/332141378.db2.gz MMVOBOPBRUAOCY-UHFFFAOYSA-N 1 2 285.322 1.764 20 30 CDEDLO C#CCNC(=O)C1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000491155897 332158404 /nfs/dbraw/zinc/15/84/04/332158404.db2.gz WHZIXIPXHKRVDW-UHFFFAOYSA-N 1 2 294.358 1.596 20 30 CDEDLO C#CC[N@@H+](CC(=O)NC1CCOCC1)Cc1ccccc1 ZINC000491178609 332160700 /nfs/dbraw/zinc/16/07/00/332160700.db2.gz ALGYESGSIYZYHZ-UHFFFAOYSA-N 1 2 286.375 1.417 20 30 CDEDLO C#CC[N@H+](CC(=O)NC1CCOCC1)Cc1ccccc1 ZINC000491178609 332160703 /nfs/dbraw/zinc/16/07/03/332160703.db2.gz ALGYESGSIYZYHZ-UHFFFAOYSA-N 1 2 286.375 1.417 20 30 CDEDLO C#CCN(C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000491276006 332179045 /nfs/dbraw/zinc/17/90/45/332179045.db2.gz HJNXCNSTHSTKSG-UHFFFAOYSA-N 1 2 286.310 1.786 20 30 CDEDLO C#C[C@@H]1COCCN1c1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000491428204 332210028 /nfs/dbraw/zinc/21/00/28/332210028.db2.gz NQNFKUCUSRZGQG-CQSZACIVSA-N 1 2 280.331 1.685 20 30 CDEDLO C#CC[N@@H+](C[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000491544699 332234572 /nfs/dbraw/zinc/23/45/72/332234572.db2.gz MZXMJKCAOKWCDW-HOCLYGCPSA-N 1 2 291.416 1.912 20 30 CDEDLO C#CC[N@H+](C[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000491544699 332234573 /nfs/dbraw/zinc/23/45/73/332234573.db2.gz MZXMJKCAOKWCDW-HOCLYGCPSA-N 1 2 291.416 1.912 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000491616325 332243486 /nfs/dbraw/zinc/24/34/86/332243486.db2.gz IOMGSIWVWVCWQI-UHFFFAOYSA-N 1 2 282.347 1.054 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000491616325 332243487 /nfs/dbraw/zinc/24/34/87/332243487.db2.gz IOMGSIWVWVCWQI-UHFFFAOYSA-N 1 2 282.347 1.054 20 30 CDEDLO C#C[C@H](CC)NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000491667601 332275767 /nfs/dbraw/zinc/27/57/67/332275767.db2.gz VHEQAZJUAVQFHM-GFCCVEGCSA-N 1 2 270.336 1.588 20 30 CDEDLO C#C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)(C)C ZINC000491731383 332312635 /nfs/dbraw/zinc/31/26/35/332312635.db2.gz FXSQLFHDFOWYLU-CYBMUJFWSA-N 1 2 295.427 1.444 20 30 CDEDLO C#C[C@H](NC(=O)NCc1[nH+]ccn1C)c1ccc(F)cc1 ZINC000491770116 332337037 /nfs/dbraw/zinc/33/70/37/332337037.db2.gz LVISBWFYKUMWNS-ZDUSSCGKSA-N 1 2 286.310 1.733 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@](CC)(C2CC2)C1=O ZINC000491804026 332357854 /nfs/dbraw/zinc/35/78/54/332357854.db2.gz KFSFBMCOSHEMMC-IINYFYTJSA-N 1 2 263.341 1.008 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@](CC)(C2CC2)C1=O ZINC000491804026 332357856 /nfs/dbraw/zinc/35/78/56/332357856.db2.gz KFSFBMCOSHEMMC-IINYFYTJSA-N 1 2 263.341 1.008 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCc1ccccc1Cn1cccn1 ZINC000192228807 333233244 /nfs/dbraw/zinc/23/32/44/333233244.db2.gz GSXYAORREFNXPO-UHFFFAOYSA-N 1 2 296.374 1.113 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCc1ccccc1Cn1cccn1 ZINC000192228807 333233246 /nfs/dbraw/zinc/23/32/46/333233246.db2.gz GSXYAORREFNXPO-UHFFFAOYSA-N 1 2 296.374 1.113 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)C2(C#N)CCCCC2)CCO1 ZINC000522268681 333277148 /nfs/dbraw/zinc/27/71/48/333277148.db2.gz PVKWSYOUBSBANW-CYBMUJFWSA-N 1 2 279.384 1.297 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)C2(C#N)CCCCC2)CCO1 ZINC000522268681 333277150 /nfs/dbraw/zinc/27/71/50/333277150.db2.gz PVKWSYOUBSBANW-CYBMUJFWSA-N 1 2 279.384 1.297 20 30 CDEDLO COC[C@@H](C)OC[C@H](O)C[N@H+](CC#N)C1CCCC1 ZINC000234826778 333362254 /nfs/dbraw/zinc/36/22/54/333362254.db2.gz ILQCHXXPCVJIFF-TZMCWYRMSA-N 1 2 270.373 1.167 20 30 CDEDLO COC[C@@H](C)OC[C@H](O)C[N@@H+](CC#N)C1CCCC1 ZINC000234826778 333362255 /nfs/dbraw/zinc/36/22/55/333362255.db2.gz ILQCHXXPCVJIFF-TZMCWYRMSA-N 1 2 270.373 1.167 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000134016301 334077668 /nfs/dbraw/zinc/07/76/68/334077668.db2.gz SWKVECKJSLZYOT-UHFFFAOYSA-N 1 2 289.354 1.946 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2ccc(F)cc2C1 ZINC000134016301 334077670 /nfs/dbraw/zinc/07/76/70/334077670.db2.gz SWKVECKJSLZYOT-UHFFFAOYSA-N 1 2 289.354 1.946 20 30 CDEDLO C[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)[C@@H](C(N)=O)C1 ZINC000249535138 334335949 /nfs/dbraw/zinc/33/59/49/334335949.db2.gz CFUYXJQWPUDKLE-SWLSCSKDSA-N 1 2 274.339 1.763 20 30 CDEDLO C[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H](C(N)=O)C1 ZINC000249535138 334335950 /nfs/dbraw/zinc/33/59/50/334335950.db2.gz CFUYXJQWPUDKLE-SWLSCSKDSA-N 1 2 274.339 1.763 20 30 CDEDLO CC[C@@H](C(=O)OC)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000554564985 334439158 /nfs/dbraw/zinc/43/91/58/334439158.db2.gz OSSOLDUQDVBSCZ-ZDUSSCGKSA-N 1 2 287.363 1.890 20 30 CDEDLO N#CC1(CNC(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000555476912 334479684 /nfs/dbraw/zinc/47/96/84/334479684.db2.gz DMDMNGULTDDKHU-UHFFFAOYSA-N 1 2 269.308 1.437 20 30 CDEDLO C=CCCOCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000576589206 335222902 /nfs/dbraw/zinc/22/29/02/335222902.db2.gz ZQHNGPVSZVSCJF-GFCCVEGCSA-N 1 2 251.330 1.543 20 30 CDEDLO CCC[C@@H]1C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CCO1 ZINC000576707549 335238102 /nfs/dbraw/zinc/23/81/02/335238102.db2.gz SCAMGVGGGFVVMZ-NFAWXSAZSA-N 1 2 281.400 1.542 20 30 CDEDLO C[NH+](C)[C@@H](CNC[C@@H](C#N)CCC#N)c1ccco1 ZINC000581243764 336030190 /nfs/dbraw/zinc/03/01/90/336030190.db2.gz UREKYVNVNDFAHH-OLZOCXBDSA-N 1 2 260.341 1.915 20 30 CDEDLO Cc1nc(N(C)CCNC(=O)[C@@H](C)C#N)c(C)c(C)[nH+]1 ZINC001100004980 1159444414 /nfs/dbraw/zinc/44/44/14/1159444414.db2.gz MHIAXBVIFJYYOP-VIFPVBQESA-N 1 2 275.356 1.114 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nnc(C)o1 ZINC001755259055 1159815512 /nfs/dbraw/zinc/81/55/12/1159815512.db2.gz YWQKSTBDWSDSQX-WDEREUQCSA-N 1 2 294.399 1.963 20 30 CDEDLO C#CCCCC(=O)NCC[NH2+]Cc1nc(CC2CC2)no1 ZINC001126343832 1159912333 /nfs/dbraw/zinc/91/23/33/1159912333.db2.gz JBNAUWFNDUEBST-UHFFFAOYSA-N 1 2 290.367 1.031 20 30 CDEDLO CC[N@H+](CCc1nc(C(C)=O)c(C)[nH]1)C[C@@H](C)C#N ZINC000677478153 482681161 /nfs/dbraw/zinc/68/11/61/482681161.db2.gz PFMMJHBMFPQMIM-JTQLQIEISA-N 1 2 262.357 1.945 20 30 CDEDLO CC[N@@H+](CCc1nc(C(C)=O)c(C)[nH]1)C[C@@H](C)C#N ZINC000677478153 482681166 /nfs/dbraw/zinc/68/11/66/482681166.db2.gz PFMMJHBMFPQMIM-JTQLQIEISA-N 1 2 262.357 1.945 20 30 CDEDLO C=C[C@@](C)(O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000665844132 482801800 /nfs/dbraw/zinc/80/18/00/482801800.db2.gz HYQARRQPVMBXGR-OAHLLOKOSA-N 1 2 275.352 1.235 20 30 CDEDLO C=C(C)CS(=O)(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000684762120 482958344 /nfs/dbraw/zinc/95/83/44/482958344.db2.gz KZBIXAMIQRQDCO-UHFFFAOYSA-N 1 2 293.392 1.681 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000675499861 483321032 /nfs/dbraw/zinc/32/10/32/483321032.db2.gz ZUMKVJDHDBQVQN-GARJFASQSA-N 1 2 267.291 1.965 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000675499861 483321037 /nfs/dbraw/zinc/32/10/37/483321037.db2.gz ZUMKVJDHDBQVQN-GARJFASQSA-N 1 2 267.291 1.965 20 30 CDEDLO CCC#C[C@H](C)[NH+]1CCC(S(=O)(=O)CC)CC1 ZINC000683528899 483568919 /nfs/dbraw/zinc/56/89/19/483568919.db2.gz DUJRAWBJPFONCK-LBPRGKRZSA-N 1 2 257.399 1.687 20 30 CDEDLO CC#CC[C@@H](CO)NC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668168207 483593576 /nfs/dbraw/zinc/59/35/76/483593576.db2.gz QXYMQMIEDHWOAY-ZDUSSCGKSA-N 1 2 286.335 1.539 20 30 CDEDLO CC(=O)N1CCC[C@H](CNc2[nH+]cccc2CC#N)C1 ZINC001168775648 1161978622 /nfs/dbraw/zinc/97/86/22/1161978622.db2.gz QQMYPDNDBHLBLC-CYBMUJFWSA-N 1 2 272.352 1.818 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@]1(C#N)CC12CCCC2 ZINC000333204993 534064329 /nfs/dbraw/zinc/06/43/29/534064329.db2.gz OKCHWGFILUCLNN-CZUORRHYSA-N 1 2 291.395 1.297 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](C)OCC2CC2)CC1 ZINC001112673885 1162049447 /nfs/dbraw/zinc/04/94/47/1162049447.db2.gz DWMAOTPFBFWGHR-ZDUSSCGKSA-N 1 2 266.385 1.522 20 30 CDEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCO[C@@H](C#N)C2)c1 ZINC000332009013 534241002 /nfs/dbraw/zinc/24/10/02/534241002.db2.gz XFANNHHJOSMFLD-ZDUSSCGKSA-N 1 2 296.330 1.545 20 30 CDEDLO Cc1cc[nH+]c(C)c1NC(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329250954 534386910 /nfs/dbraw/zinc/38/69/10/534386910.db2.gz UQQZJPRASXAVKG-XQQFMLRXSA-N 1 2 275.352 1.947 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@@]2(CCOC2)O1 ZINC000330152933 534449079 /nfs/dbraw/zinc/44/90/79/534449079.db2.gz MJJVMJKZULJWSV-BXUZGUMPSA-N 1 2 268.357 1.233 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@@]2(CCOC2)O1 ZINC000330152933 534449084 /nfs/dbraw/zinc/44/90/84/534449084.db2.gz MJJVMJKZULJWSV-BXUZGUMPSA-N 1 2 268.357 1.233 20 30 CDEDLO C=CCO[C@@H](C)C(=O)NC[C@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113639708 1162244586 /nfs/dbraw/zinc/24/45/86/1162244586.db2.gz JDRWTHBQDYASNQ-RYUDHWBXSA-N 1 2 292.383 1.317 20 30 CDEDLO C=CCCC1(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000353512908 527086004 /nfs/dbraw/zinc/08/60/04/527086004.db2.gz HQIQGONWUDRCAL-UHFFFAOYSA-N 1 2 280.412 1.960 20 30 CDEDLO Cn1cc(N2CC[NH+](Cc3cccc(C#N)c3F)CC2)cn1 ZINC000340890691 527252323 /nfs/dbraw/zinc/25/23/23/527252323.db2.gz HLAILEORSYSGNU-UHFFFAOYSA-N 1 2 299.353 1.753 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000353556568 527620524 /nfs/dbraw/zinc/62/05/24/527620524.db2.gz DBPBUNJDISYHDT-IUODEOHRSA-N 1 2 277.368 1.543 20 30 CDEDLO C=C[C@](C)(O)CC(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000356035690 527640229 /nfs/dbraw/zinc/64/02/29/527640229.db2.gz JNIQIOMMXRKWOL-HNNXBMFYSA-N 1 2 288.351 1.895 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000331539785 528695957 /nfs/dbraw/zinc/69/59/57/528695957.db2.gz VKHJRHMSIWLKEU-UMVBOHGHSA-N 1 2 293.411 1.494 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000331539785 528695958 /nfs/dbraw/zinc/69/59/58/528695958.db2.gz VKHJRHMSIWLKEU-UMVBOHGHSA-N 1 2 293.411 1.494 20 30 CDEDLO CC[C@@H](C)CCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000351952228 529308820 /nfs/dbraw/zinc/30/88/20/529308820.db2.gz RYCFEAFSIVWYFL-OAHLLOKOSA-N 1 2 295.427 1.887 20 30 CDEDLO COCCCOCCN(C)c1cc(C)[nH+]cc1C#N ZINC000425242475 536615125 /nfs/dbraw/zinc/61/51/25/536615125.db2.gz CLNRIOYPQPMWAV-UHFFFAOYSA-N 1 2 263.341 1.751 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)NC[C@]1(C)CCOC1)[NH+]1CCOCC1 ZINC000329403394 538565204 /nfs/dbraw/zinc/56/52/04/538565204.db2.gz YTMYVIRRRDILAB-GUTXKFCHSA-N 1 2 299.415 1.026 20 30 CDEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2sccc2C(N)=O)CC1 ZINC000731031990 575030690 /nfs/dbraw/zinc/03/06/90/575030690.db2.gz ADNRZLHDCSYHJL-SNVBAGLBSA-N 1 2 293.392 1.826 20 30 CDEDLO C#CCCC[NH+]1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000766896452 575103315 /nfs/dbraw/zinc/10/33/15/575103315.db2.gz PAOGNIGXIZJVMC-UHFFFAOYSA-N 1 2 292.404 1.406 20 30 CDEDLO CCc1cc(NCCNc2ncccc2C#N)nc[nH+]1 ZINC000733187999 575104784 /nfs/dbraw/zinc/10/47/84/575104784.db2.gz GMWTUZWTARQNKV-UHFFFAOYSA-N 1 2 268.324 1.830 20 30 CDEDLO Nc1ncc(C=[NH+]Nc2ccc(F)c([N+](=O)[O-])c2)cn1 ZINC000769829430 575389561 /nfs/dbraw/zinc/38/95/61/575389561.db2.gz PUIDPHKIDBDQAM-UHFFFAOYSA-N 1 2 276.231 1.552 20 30 CDEDLO CC#CC[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735447032 575468842 /nfs/dbraw/zinc/46/88/42/575468842.db2.gz BRFDEDCLSRLLHP-UHFFFAOYSA-N 1 2 296.378 1.008 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000770612590 575473190 /nfs/dbraw/zinc/47/31/90/575473190.db2.gz RZQISEHODXHXTK-NSHDSACASA-N 1 2 260.341 1.941 20 30 CDEDLO Cc1[nH+]c2ccccn2c1CN=Nc1cccnn1 ZINC000735973220 575543951 /nfs/dbraw/zinc/54/39/51/575543951.db2.gz DMABMSQEYJVJKY-UHFFFAOYSA-N 1 2 252.281 1.879 20 30 CDEDLO COC[C@H](C)NC(=S)NN=Cc1cccc2[nH+]ccn21 ZINC000771089691 575547459 /nfs/dbraw/zinc/54/74/59/575547459.db2.gz RUWXYUZGXZERAB-JTQLQIEISA-N 1 2 291.380 1.167 20 30 CDEDLO CN(C)c1nc(=NN=Cc2cccc3[nH+]ccn32)cc[nH]1 ZINC000771099886 575548515 /nfs/dbraw/zinc/54/85/15/575548515.db2.gz GZDKSXOVNCQVAA-UHFFFAOYSA-N 1 2 281.323 1.636 20 30 CDEDLO C[NH+](C)c1ccc(N2CCC(=NOCC(N)=O)CC2)cc1 ZINC000771572456 575592210 /nfs/dbraw/zinc/59/22/10/575592210.db2.gz RZGGUBCXFKAXBI-UHFFFAOYSA-N 1 2 290.367 1.211 20 30 CDEDLO N#Cc1ccc(CC(=O)OCCn2cc[nH+]c2)cc1 ZINC000771937055 575639245 /nfs/dbraw/zinc/63/92/45/575639245.db2.gz JQULAQKNUNRUQT-UHFFFAOYSA-N 1 2 255.277 1.541 20 30 CDEDLO Cc1nnc(CO[NH+]=C(N)c2ccc(F)cc2)s1 ZINC000773184313 575789576 /nfs/dbraw/zinc/78/95/76/575789576.db2.gz PPKQQOFDQRSZTG-UHFFFAOYSA-N 1 2 266.301 1.823 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC(F)(F)F ZINC000764946401 575966909 /nfs/dbraw/zinc/96/69/09/575966909.db2.gz IDAPGTMXWLNLLX-JTQLQIEISA-N 1 2 262.275 1.495 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC(F)(F)F ZINC000764946401 575966911 /nfs/dbraw/zinc/96/69/11/575966911.db2.gz IDAPGTMXWLNLLX-JTQLQIEISA-N 1 2 262.275 1.495 20 30 CDEDLO C#CCCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000765483231 576028955 /nfs/dbraw/zinc/02/89/55/576028955.db2.gz VOMUEDVXVWYKQA-HNNXBMFYSA-N 1 2 273.332 1.454 20 30 CDEDLO C#CCCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000765483231 576028960 /nfs/dbraw/zinc/02/89/60/576028960.db2.gz VOMUEDVXVWYKQA-HNNXBMFYSA-N 1 2 273.332 1.454 20 30 CDEDLO COc1cccc(S(C)(=O)=O)c1N=NCc1[nH]cc[nH+]1 ZINC000767394825 576187975 /nfs/dbraw/zinc/18/79/75/576187975.db2.gz XGQUORPMKYQLDZ-UHFFFAOYSA-N 1 2 294.336 1.268 20 30 CDEDLO C#CCC[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000760855145 576516440 /nfs/dbraw/zinc/51/64/40/576516440.db2.gz RWJKYWGISRTISV-UHFFFAOYSA-N 1 2 270.336 1.569 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1nc([C@@H](C)SCC)no1 ZINC000761107034 576549496 /nfs/dbraw/zinc/54/94/96/576549496.db2.gz CCNXPQSGOSRDQD-LLVKDONJSA-N 1 2 283.397 1.965 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1nc([C@@H](C)SCC)no1 ZINC000761107034 576549497 /nfs/dbraw/zinc/54/94/97/576549497.db2.gz CCNXPQSGOSRDQD-LLVKDONJSA-N 1 2 283.397 1.965 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCc3ccc(OC)cc32)CC1 ZINC000761886300 576603669 /nfs/dbraw/zinc/60/36/69/576603669.db2.gz YFXQYROVSDENPR-MRXNPFEDSA-N 1 2 298.386 1.502 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000744410846 576679391 /nfs/dbraw/zinc/67/93/91/576679391.db2.gz VMYOXBUJMQMUQH-HZPDHXFCSA-N 1 2 274.408 1.982 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000744410846 576679393 /nfs/dbraw/zinc/67/93/93/576679393.db2.gz VMYOXBUJMQMUQH-HZPDHXFCSA-N 1 2 274.408 1.982 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)[C@@H](C)Cc2ccc(F)cc2)CC1 ZINC000744419305 576679835 /nfs/dbraw/zinc/67/98/35/576679835.db2.gz XZUCDMPTTNTLGB-AWEZNQCLSA-N 1 2 288.366 1.782 20 30 CDEDLO CC#CCOC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000744965315 576707248 /nfs/dbraw/zinc/70/72/48/576707248.db2.gz YQRAGMHUCJSCQB-MRXNPFEDSA-N 1 2 287.359 1.751 20 30 CDEDLO C#CCN(CC#CC)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000745786780 576742484 /nfs/dbraw/zinc/74/24/84/576742484.db2.gz YECPQRQKOKPEGW-UHFFFAOYSA-N 1 2 295.386 1.670 20 30 CDEDLO C#Cc1ccc(C(=O)Nc2cc(C)[nH+]cc2C)cn1 ZINC000747107592 576858976 /nfs/dbraw/zinc/85/89/76/576858976.db2.gz NIOFDUMCPWZOFI-UHFFFAOYSA-N 1 2 251.289 1.749 20 30 CDEDLO C#CC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000753943065 576867826 /nfs/dbraw/zinc/86/78/26/576867826.db2.gz GRUFLNDHLPSUMK-UHFFFAOYSA-N 1 2 257.337 1.567 20 30 CDEDLO C#CC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000753958913 576869975 /nfs/dbraw/zinc/86/99/75/576869975.db2.gz PYIQMZOCAHKFCZ-UHFFFAOYSA-N 1 2 257.337 1.006 20 30 CDEDLO CO[C@@H](C)C(N)=[NH+]O[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000747868107 576887798 /nfs/dbraw/zinc/88/77/98/576887798.db2.gz RGHMQCDMDPMBLX-UWVGGRQHSA-N 1 2 290.323 1.419 20 30 CDEDLO N#Cc1cc(C(=O)OCC[NH+]2CCOCC2)ccc1Cl ZINC000754917437 576921732 /nfs/dbraw/zinc/92/17/32/576921732.db2.gz HUFRSJHUBAPDKU-UHFFFAOYSA-N 1 2 294.738 1.701 20 30 CDEDLO CCCN1C(=O)C(=NN=Cc2c[nH+]cn2C)c2ccccc21 ZINC000755536479 576949041 /nfs/dbraw/zinc/94/90/41/576949041.db2.gz PZBRWBXJRDIADJ-UHFFFAOYSA-N 1 2 295.346 2.000 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCN(C)c3ccccc32)CC1 ZINC000750777883 577005549 /nfs/dbraw/zinc/00/55/49/577005549.db2.gz PBWDQDRFKWEZIC-INIZCTEOSA-N 1 2 297.402 1.388 20 30 CDEDLO COC(=O)c1ccc(N=NCc2cccc3[nH+]ccn32)nc1 ZINC000758141280 577075009 /nfs/dbraw/zinc/07/50/09/577075009.db2.gz PCTMKLUEZLNVPT-UHFFFAOYSA-N 1 2 295.302 1.962 20 30 CDEDLO CC(C)[C@H]1C[N@H+](Cn2cccc(C#N)c2=O)CCS1 ZINC000758233448 577086780 /nfs/dbraw/zinc/08/67/80/577086780.db2.gz XPKJOHKFBZPZFW-CYBMUJFWSA-N 1 2 277.393 1.751 20 30 CDEDLO CC(C)[C@H]1C[N@@H+](Cn2cccc(C#N)c2=O)CCS1 ZINC000758233448 577086782 /nfs/dbraw/zinc/08/67/82/577086782.db2.gz XPKJOHKFBZPZFW-CYBMUJFWSA-N 1 2 277.393 1.751 20 30 CDEDLO CC1(C)C[N@H+](Cn2cccc(C#N)c2=O)CCS1 ZINC000758236271 577087975 /nfs/dbraw/zinc/08/79/75/577087975.db2.gz MFRYMAISCRNKOU-UHFFFAOYSA-N 1 2 263.366 1.505 20 30 CDEDLO CC1(C)C[N@@H+](Cn2cccc(C#N)c2=O)CCS1 ZINC000758236271 577087976 /nfs/dbraw/zinc/08/79/76/577087976.db2.gz MFRYMAISCRNKOU-UHFFFAOYSA-N 1 2 263.366 1.505 20 30 CDEDLO C=CC[C@@H]1CCN1C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000890552599 617206075 /nfs/dbraw/zinc/20/60/75/617206075.db2.gz PFLPCXMUPSHNBR-UKRRQHHQSA-N 1 2 278.396 1.807 20 30 CDEDLO C=CC[C@@H]1CCN1C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000890552599 617206083 /nfs/dbraw/zinc/20/60/83/617206083.db2.gz PFLPCXMUPSHNBR-UKRRQHHQSA-N 1 2 278.396 1.807 20 30 CDEDLO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000972407241 613085074 /nfs/dbraw/zinc/08/50/74/613085074.db2.gz CAHTUQAZYUEKOA-GFCCVEGCSA-N 1 2 272.352 1.067 20 30 CDEDLO C#CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000972407241 613085075 /nfs/dbraw/zinc/08/50/75/613085075.db2.gz CAHTUQAZYUEKOA-GFCCVEGCSA-N 1 2 272.352 1.067 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2ncc(OC)cc2F)CC1 ZINC000981291284 613160573 /nfs/dbraw/zinc/16/05/73/613160573.db2.gz SBWPDKLXNUNOEK-UHFFFAOYSA-N 1 2 291.326 1.010 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2ncc(OC)cc2F)CC1 ZINC000981291284 613160576 /nfs/dbraw/zinc/16/05/76/613160576.db2.gz SBWPDKLXNUNOEK-UHFFFAOYSA-N 1 2 291.326 1.010 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(C(C)C)CC3)C2)C1 ZINC000972542369 613211200 /nfs/dbraw/zinc/21/12/00/613211200.db2.gz KQZQSGBCSGIZAO-INIZCTEOSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(C(C)C)CC3)C2)C1 ZINC000972542369 613211203 /nfs/dbraw/zinc/21/12/03/613211203.db2.gz KQZQSGBCSGIZAO-INIZCTEOSA-N 1 2 290.407 1.359 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC000950346861 613295581 /nfs/dbraw/zinc/29/55/81/613295581.db2.gz OECOCDOAGISEIY-TZMCWYRMSA-N 1 2 293.411 1.010 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2nn(C)cc2C)C1 ZINC000950059394 613297774 /nfs/dbraw/zinc/29/77/74/613297774.db2.gz CERIHALSNLBEIU-UHFFFAOYSA-N 1 2 276.384 1.451 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](OC)C2CCCC2)CC1 ZINC000957482541 613317944 /nfs/dbraw/zinc/31/79/44/613317944.db2.gz UFXRJGPVWOTYPM-HNNXBMFYSA-N 1 2 280.412 1.912 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2c(C)nn(C)c2Cl)CC1 ZINC000949551584 613319985 /nfs/dbraw/zinc/31/99/85/613319985.db2.gz XHSBXYLFQVHYOM-UHFFFAOYSA-N 1 2 296.802 1.716 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnc3nccn3c2)CC1 ZINC000949296151 613321665 /nfs/dbraw/zinc/32/16/65/613321665.db2.gz XGOIZCRHTWEGEC-UHFFFAOYSA-N 1 2 285.351 1.063 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ncoc2C2CC2)CC1 ZINC000957072135 613322309 /nfs/dbraw/zinc/32/23/09/613322309.db2.gz ARKGNOKJMUSOIX-UHFFFAOYSA-N 1 2 275.352 1.886 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2nccn2CC)C1 ZINC000969576195 613371895 /nfs/dbraw/zinc/37/18/95/613371895.db2.gz RPEFXYJDXXFOFZ-LLVKDONJSA-N 1 2 296.802 1.706 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2C[C@H]2C)CC1 ZINC000980656972 613373912 /nfs/dbraw/zinc/37/39/12/613373912.db2.gz OCHUYJUNBBQQIA-PWSUYJOCSA-N 1 2 256.777 1.929 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]2C)CC1 ZINC000980656972 613373913 /nfs/dbraw/zinc/37/39/13/613373913.db2.gz OCHUYJUNBBQQIA-PWSUYJOCSA-N 1 2 256.777 1.929 20 30 CDEDLO C=C(Cl)CN1CC[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968698751 613375449 /nfs/dbraw/zinc/37/54/49/613375449.db2.gz RMYMJTZJTLERBU-YPMHNXCESA-N 1 2 296.802 1.462 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC000968705809 613375686 /nfs/dbraw/zinc/37/56/86/613375686.db2.gz GDUPBWCLPXIKQH-BXKDBHETSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC000968705809 613375687 /nfs/dbraw/zinc/37/56/87/613375687.db2.gz GDUPBWCLPXIKQH-BXKDBHETSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cn(C)cn2)C(C)(C)C1 ZINC000973035134 613379826 /nfs/dbraw/zinc/37/98/26/613379826.db2.gz XIRXRPBHMILWKG-GFCCVEGCSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)cn2)C(C)(C)C1 ZINC000973035134 613379827 /nfs/dbraw/zinc/37/98/27/613379827.db2.gz XIRXRPBHMILWKG-GFCCVEGCSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2occc2C)[C@H](O)C1 ZINC000957855500 613380337 /nfs/dbraw/zinc/38/03/37/613380337.db2.gz OKYYHPOTDSXADW-VXGBXAGGSA-N 1 2 298.770 1.363 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2occc2C)[C@H](O)C1 ZINC000957855500 613380338 /nfs/dbraw/zinc/38/03/38/613380338.db2.gz OKYYHPOTDSXADW-VXGBXAGGSA-N 1 2 298.770 1.363 20 30 CDEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH2+]Cc3nc(C)no3)C2)C1 ZINC000969878880 613393998 /nfs/dbraw/zinc/39/39/98/613393998.db2.gz QBHSUASYAQZWSS-GFCCVEGCSA-N 1 2 290.367 1.425 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC000972083073 613438873 /nfs/dbraw/zinc/43/88/73/613438873.db2.gz VEWTZEUFGKMLBO-AWEZNQCLSA-N 1 2 290.411 1.665 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C)n2)C1 ZINC000972083073 613438874 /nfs/dbraw/zinc/43/88/74/613438874.db2.gz VEWTZEUFGKMLBO-AWEZNQCLSA-N 1 2 290.411 1.665 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CC[C@H]2CC[C@@H](C)O2)CC1 ZINC000957731018 613561705 /nfs/dbraw/zinc/56/17/05/613561705.db2.gz WDKQWRNMPADFAX-HUUCEWRRSA-N 1 2 278.396 1.502 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCn2cc(Cl)cn2)CC1 ZINC000957764095 613562592 /nfs/dbraw/zinc/56/25/92/613562592.db2.gz WLGFGRXDQIKIIL-UHFFFAOYSA-N 1 2 294.786 1.094 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2snnc2C)C1 ZINC000965031968 613576386 /nfs/dbraw/zinc/57/63/86/613576386.db2.gz JGINVCDYHYDNCC-ZYHUDNBSSA-N 1 2 292.408 1.310 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2snnc2C)C1 ZINC000965031968 613576387 /nfs/dbraw/zinc/57/63/87/613576387.db2.gz JGINVCDYHYDNCC-ZYHUDNBSSA-N 1 2 292.408 1.310 20 30 CDEDLO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971570063 613614449 /nfs/dbraw/zinc/61/44/49/613614449.db2.gz GWSXWBFQXWQRII-RKDXNWHRSA-N 1 2 268.254 1.606 20 30 CDEDLO C=CC[N@H+](C)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971570063 613614452 /nfs/dbraw/zinc/61/44/52/613614452.db2.gz GWSXWBFQXWQRII-RKDXNWHRSA-N 1 2 268.254 1.606 20 30 CDEDLO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000971570063 613614455 /nfs/dbraw/zinc/61/44/55/613614455.db2.gz GWSXWBFQXWQRII-RKDXNWHRSA-N 1 2 268.254 1.606 20 30 CDEDLO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000971570063 613614458 /nfs/dbraw/zinc/61/44/58/613614458.db2.gz GWSXWBFQXWQRII-RKDXNWHRSA-N 1 2 268.254 1.606 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)C2CC3(C2)CCOCC3)C1 ZINC000957134415 613653036 /nfs/dbraw/zinc/65/30/36/613653036.db2.gz LUTFFNYGSIWDBE-UHFFFAOYSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC000951017442 613656082 /nfs/dbraw/zinc/65/60/82/613656082.db2.gz ROPZVSBZOZQYOZ-UHFFFAOYSA-N 1 2 289.379 1.736 20 30 CDEDLO C=CC[NH+]1CC([C@@H](C)NC(=O)c2[nH]nc(C)c2C)C1 ZINC000969404624 613667852 /nfs/dbraw/zinc/66/78/52/613667852.db2.gz OJPNJPTYGBLXEH-LLVKDONJSA-N 1 2 262.357 1.263 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)CCC)CC1 ZINC000957754131 613711053 /nfs/dbraw/zinc/71/10/53/613711053.db2.gz FNQCQZFINMLWDP-AWEZNQCLSA-N 1 2 293.411 1.108 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCO[C@H]2CC)CC1 ZINC000948698465 613711336 /nfs/dbraw/zinc/71/13/36/613711336.db2.gz GBBWTIYLXSCDPF-KGLIPLIRSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)c(C)cn2)CC1 ZINC000949412903 613714687 /nfs/dbraw/zinc/71/46/87/613714687.db2.gz YKEGJXRCWFEYAH-UHFFFAOYSA-N 1 2 259.353 1.642 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C3CC3)n(C)n2)CC1 ZINC000948645728 613715311 /nfs/dbraw/zinc/71/53/11/613715311.db2.gz VKRZTCMYDJOSBX-UHFFFAOYSA-N 1 2 274.368 1.241 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(F)c(OC)c2)CC1 ZINC000950650108 613716063 /nfs/dbraw/zinc/71/60/63/613716063.db2.gz NZYGVWPPDORHAQ-UHFFFAOYSA-N 1 2 278.327 1.778 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3[nH]nc(C)c3c2)CC1 ZINC000949243106 613716161 /nfs/dbraw/zinc/71/61/61/613716161.db2.gz DDZXKSMYNXRYOQ-UHFFFAOYSA-N 1 2 284.363 1.815 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3nonc3c2)CC1 ZINC000949989806 613717056 /nfs/dbraw/zinc/71/70/56/613717056.db2.gz KJZFVWRLDVQGTH-UHFFFAOYSA-N 1 2 272.308 1.167 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccn3nccc23)CC1 ZINC000949093644 613717366 /nfs/dbraw/zinc/71/73/66/613717366.db2.gz FWFBXLAYICTNEF-UHFFFAOYSA-N 1 2 270.336 1.278 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccnc(OC)c2)CC1 ZINC000949043831 613717514 /nfs/dbraw/zinc/71/75/14/613717514.db2.gz XUHKQYFGQWBUQF-UHFFFAOYSA-N 1 2 261.325 1.034 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cscn3)C2)C1 ZINC000972282516 613724154 /nfs/dbraw/zinc/72/41/54/613724154.db2.gz RPVISSRYJAWSHD-AWEZNQCLSA-N 1 2 293.392 1.246 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cscn3)C2)C1 ZINC000972282516 613724155 /nfs/dbraw/zinc/72/41/55/613724155.db2.gz RPVISSRYJAWSHD-AWEZNQCLSA-N 1 2 293.392 1.246 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC=CCC3)C2)C1 ZINC000972257021 613724427 /nfs/dbraw/zinc/72/44/27/613724427.db2.gz RAQOGQXWYACGCN-RDJZCZTQSA-N 1 2 290.407 1.832 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC=CCC3)C2)C1 ZINC000972257021 613724429 /nfs/dbraw/zinc/72/44/29/613724429.db2.gz RAQOGQXWYACGCN-RDJZCZTQSA-N 1 2 290.407 1.832 20 30 CDEDLO C=C1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000892838358 617814939 /nfs/dbraw/zinc/81/49/39/617814939.db2.gz MXYZBAHXPHWDAR-ZIAGYGMSSA-N 1 2 281.400 1.457 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1c(Cl)c(C)nn1C)[C@H]1CCCO1 ZINC000893676878 617829754 /nfs/dbraw/zinc/82/97/54/617829754.db2.gz PDMZXJFQZFGFES-ZYHUDNBSSA-N 1 2 267.760 1.652 20 30 CDEDLO C=CCC[C@H]1NC(=O)N([C@@H]2CCn3cc[nH+]c3C2)C1=O ZINC000927653676 618429058 /nfs/dbraw/zinc/42/90/58/618429058.db2.gz JQGRACQYJKKENE-GHMZBOCLSA-N 1 2 274.324 1.085 20 30 CDEDLO C[C@@H]1C[N@H+](CCO)CCN1c1cc(C#N)sc1[N+](=O)[O-] ZINC000894134638 618612143 /nfs/dbraw/zinc/61/21/43/618612143.db2.gz OKUPROAYHFBBIC-SECBINFHSA-N 1 2 296.352 1.031 20 30 CDEDLO C[C@@H]1C[N@@H+](CCO)CCN1c1cc(C#N)sc1[N+](=O)[O-] ZINC000894134638 618612148 /nfs/dbraw/zinc/61/21/48/618612148.db2.gz OKUPROAYHFBBIC-SECBINFHSA-N 1 2 296.352 1.031 20 30 CDEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@@H](OCC)C1)C(=O)OC ZINC000894855563 619101928 /nfs/dbraw/zinc/10/19/28/619101928.db2.gz UNPKWRFUYBQYDU-XQQFMLRXSA-N 1 2 253.342 1.489 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2c(F)cccc2F)CCCN1O ZINC000895165344 619393357 /nfs/dbraw/zinc/39/33/57/619393357.db2.gz JFRZUCJDXDCSBM-LLVKDONJSA-N 1 2 256.252 1.435 20 30 CDEDLO Cn1c(Cl)nc(Cl)c1C[NH2+][C@@H]1CCCN(O)C1=O ZINC000895167110 619396825 /nfs/dbraw/zinc/39/68/25/619396825.db2.gz UERSPENLXRSNSI-ZCFIWIBFSA-N 1 2 293.154 1.197 20 30 CDEDLO Cc1[nH]c(CNC(=O)COc2cccc(C#N)c2)[nH+]c1C ZINC000896922645 620311050 /nfs/dbraw/zinc/31/10/50/620311050.db2.gz VLWBPYHQSIQZOS-UHFFFAOYSA-N 1 2 284.319 1.593 20 30 CDEDLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)O[NH+]=C(N)CCO ZINC000121313052 620486608 /nfs/dbraw/zinc/48/66/08/620486608.db2.gz REQWDWKJDJPFEQ-SECBINFHSA-N 1 2 299.758 1.647 20 30 CDEDLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)O[NH+]=C(N)CCO ZINC000121313194 620487132 /nfs/dbraw/zinc/48/71/32/620487132.db2.gz REQWDWKJDJPFEQ-VIFPVBQESA-N 1 2 299.758 1.647 20 30 CDEDLO CC(C)N(C)C(=O)[C@@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000842019775 620862902 /nfs/dbraw/zinc/86/29/02/620862902.db2.gz XIWLUCZNAIRVSQ-SNVBAGLBSA-N 1 2 281.331 1.718 20 30 CDEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H]2CC[C@H](C#N)C2)[nH]n1 ZINC000898012002 621262272 /nfs/dbraw/zinc/26/22/72/621262272.db2.gz OLEFRINYBSCGTL-WDMOLILDSA-N 1 2 287.367 1.598 20 30 CDEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H]2CC[C@H](C#N)C2)[nH]n1 ZINC000898012002 621262284 /nfs/dbraw/zinc/26/22/84/621262284.db2.gz OLEFRINYBSCGTL-WDMOLILDSA-N 1 2 287.367 1.598 20 30 CDEDLO N#Cc1cc(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)c[nH]1 ZINC000902850866 625517795 /nfs/dbraw/zinc/51/77/95/625517795.db2.gz WWKCUMFIPWLZEP-UHFFFAOYSA-N 1 2 295.346 1.998 20 30 CDEDLO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CCC#N ZINC000905652676 626900632 /nfs/dbraw/zinc/90/06/32/626900632.db2.gz CYXGETBJQMUJFM-GHMZBOCLSA-N 1 2 269.345 1.124 20 30 CDEDLO C#CC[N@@H+](CN1Cc2cc(OC)ccc2C1=O)C(C)C ZINC000905749675 626945707 /nfs/dbraw/zinc/94/57/07/626945707.db2.gz QOJXTXUJXQBBNI-UHFFFAOYSA-N 1 2 272.348 1.952 20 30 CDEDLO C#CC[N@H+](CN1Cc2cc(OC)ccc2C1=O)C(C)C ZINC000905749675 626945709 /nfs/dbraw/zinc/94/57/09/626945709.db2.gz QOJXTXUJXQBBNI-UHFFFAOYSA-N 1 2 272.348 1.952 20 30 CDEDLO Cc1cc(CN(CCC#N)CC[NH+]2CCOCC2)c(C)o1 ZINC000156422345 630554003 /nfs/dbraw/zinc/55/40/03/630554003.db2.gz KTSVUDGQMDTJNV-UHFFFAOYSA-N 1 2 291.395 1.944 20 30 CDEDLO CC(C)(C#N)CS(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000914109378 631037665 /nfs/dbraw/zinc/03/76/65/631037665.db2.gz UMMGXNHIHZEQFF-UHFFFAOYSA-N 1 2 285.413 1.036 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C\c1ccccc1C#N ZINC000915264045 631688264 /nfs/dbraw/zinc/68/82/64/631688264.db2.gz HHSKRPRZFCNDGJ-FMFIFOJESA-N 1 2 280.331 1.973 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2coc(CC)n2)CC1 ZINC000772668171 633143148 /nfs/dbraw/zinc/14/31/48/633143148.db2.gz UTNXRVCWFMFSTQ-UHFFFAOYSA-N 1 2 261.325 1.018 20 30 CDEDLO C=C1CCC(C(=O)N[C@H](C)C[NH2+]Cc2nc(C)no2)CC1 ZINC001754241041 1158995442 /nfs/dbraw/zinc/99/54/42/1158995442.db2.gz ACWUATRSOPALOB-LLVKDONJSA-N 1 2 292.383 1.719 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001132058292 1163157281 /nfs/dbraw/zinc/15/72/81/1163157281.db2.gz XOFVOSRQLSYZCV-OCCSQVGLSA-N 1 2 293.411 1.209 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001132058292 1163157288 /nfs/dbraw/zinc/15/72/88/1163157288.db2.gz XOFVOSRQLSYZCV-OCCSQVGLSA-N 1 2 293.411 1.209 20 30 CDEDLO Cc1nc(N[C@H](C)[C@@H](C)NC(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001113012037 1162069663 /nfs/dbraw/zinc/06/96/63/1162069663.db2.gz KLBFJJVKYDCIMS-NXEZZACHSA-N 1 2 298.350 1.604 20 30 CDEDLO Cc1nc(N(C)[C@H](C)CNC(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001113570604 1162224494 /nfs/dbraw/zinc/22/44/94/1162224494.db2.gz KUJDODFWBLZLOD-SNVBAGLBSA-N 1 2 298.350 1.240 20 30 CDEDLO C#CC[NH2+]CCCCCCNC(=O)c1[nH]ncc1F ZINC001179510295 1164333043 /nfs/dbraw/zinc/33/30/43/1164333043.db2.gz HNUQZWRRFZSWGE-UHFFFAOYSA-N 1 2 266.320 1.062 20 30 CDEDLO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1ncc[nH]1)C2 ZINC001203976495 1164432684 /nfs/dbraw/zinc/43/26/84/1164432684.db2.gz AAYPOKBQLVMLGK-INIZCTEOSA-N 1 2 288.395 1.943 20 30 CDEDLO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ncc[nH]1)C2 ZINC001203976495 1164432690 /nfs/dbraw/zinc/43/26/90/1164432690.db2.gz AAYPOKBQLVMLGK-INIZCTEOSA-N 1 2 288.395 1.943 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001633408115 1166418808 /nfs/dbraw/zinc/41/88/08/1166418808.db2.gz JMHXRIPLIYNLBG-SNVBAGLBSA-N 1 2 269.308 1.136 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)c2csc(C#N)c2)[C@H](C)CO1 ZINC001647303971 1168541436 /nfs/dbraw/zinc/54/14/36/1168541436.db2.gz KGOYBIKJSWOBIP-GHMZBOCLSA-N 1 2 293.392 1.459 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2csc(C#N)c2)[C@H](C)CO1 ZINC001647303971 1168541442 /nfs/dbraw/zinc/54/14/42/1168541442.db2.gz KGOYBIKJSWOBIP-GHMZBOCLSA-N 1 2 293.392 1.459 20 30 CDEDLO C#CC[C@]1(C(=O)Oc2ccc3c(c2)nc(C)n3C)CCC[NH2+]1 ZINC001574525044 1170991189 /nfs/dbraw/zinc/99/11/89/1170991189.db2.gz BZDFVVKONZMWBC-QGZVFWFLSA-N 1 2 297.358 1.933 20 30 CDEDLO N#CC1(C[NH2+]Cc2csc(-c3nn[nH]n3)c2)CCC1 ZINC001592669889 1173959443 /nfs/dbraw/zinc/95/94/43/1173959443.db2.gz ONSBDCMZGZDQBZ-UHFFFAOYSA-N 1 2 274.353 1.712 20 30 CDEDLO N#CCCN(Cc1cccnc1)Cc1cccc(N)[nH+]1 ZINC000092367798 1174379583 /nfs/dbraw/zinc/37/95/83/1174379583.db2.gz HARQTRXDPCYOLP-UHFFFAOYSA-N 1 2 267.336 1.975 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CCOC1 ZINC001714576349 1179232297 /nfs/dbraw/zinc/23/22/97/1179232297.db2.gz BQYSOQQXZHVGAM-NSHDSACASA-N 1 2 260.765 1.214 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CCOC1 ZINC001714576349 1179232300 /nfs/dbraw/zinc/23/23/00/1179232300.db2.gz BQYSOQQXZHVGAM-NSHDSACASA-N 1 2 260.765 1.214 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccns1 ZINC001753050681 1185021945 /nfs/dbraw/zinc/02/19/45/1185021945.db2.gz QBQOHFXHFZRJNE-UHFFFAOYSA-N 1 2 259.762 1.557 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccns1 ZINC001753050681 1185021940 /nfs/dbraw/zinc/02/19/40/1185021940.db2.gz QBQOHFXHFZRJNE-UHFFFAOYSA-N 1 2 259.762 1.557 20 30 CDEDLO C=CCN1CC[NH+](CCN(C)C(=O)CCC2(C)CC2)CC1 ZINC001753344844 1185163371 /nfs/dbraw/zinc/16/33/71/1185163371.db2.gz VIOKNHZOUNPRHZ-UHFFFAOYSA-N 1 2 293.455 1.829 20 30 CDEDLO C=CCOCC[NH+]1CC(NC(=O)c2csc(C)c2C)C1 ZINC001753376815 1185176452 /nfs/dbraw/zinc/17/64/52/1185176452.db2.gz CJZFZCASQZYQRW-UHFFFAOYSA-N 1 2 294.420 1.982 20 30 CDEDLO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)C=C)C1 ZINC001753651002 1185286813 /nfs/dbraw/zinc/28/68/13/1185286813.db2.gz DTCUSUABUJLGPE-AWEZNQCLSA-N 1 2 296.411 1.218 20 30 CDEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)C(C)(C)C=C)C1 ZINC001753651002 1185286816 /nfs/dbraw/zinc/28/68/16/1185286816.db2.gz DTCUSUABUJLGPE-AWEZNQCLSA-N 1 2 296.411 1.218 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC=CCC1 ZINC001753847537 1185356904 /nfs/dbraw/zinc/35/69/04/1185356904.db2.gz YOZWMSXUUHPWGX-AWEZNQCLSA-N 1 2 293.411 1.035 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CC=CCC1 ZINC001753847537 1185356906 /nfs/dbraw/zinc/35/69/06/1185356906.db2.gz YOZWMSXUUHPWGX-AWEZNQCLSA-N 1 2 293.411 1.035 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)C1(C2CC2)CC1 ZINC001754486372 1185639166 /nfs/dbraw/zinc/63/91/66/1185639166.db2.gz NRMLOOXCLMFDIG-CQSZACIVSA-N 1 2 276.380 1.017 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)C1(C2CC2)CC1 ZINC001754486372 1185639168 /nfs/dbraw/zinc/63/91/68/1185639168.db2.gz NRMLOOXCLMFDIG-CQSZACIVSA-N 1 2 276.380 1.017 20 30 CDEDLO CCO[C@H](C)C(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1 ZINC001754547780 1185664234 /nfs/dbraw/zinc/66/42/34/1185664234.db2.gz QPTVYHUFQYZARE-CYBMUJFWSA-N 1 2 293.411 1.638 20 30 CDEDLO CCO[C@H](C)C(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1 ZINC001754547780 1185664237 /nfs/dbraw/zinc/66/42/37/1185664237.db2.gz QPTVYHUFQYZARE-CYBMUJFWSA-N 1 2 293.411 1.638 20 30 CDEDLO Cc1nnc(C[N@H+](C)C[C@H](O)CC2(C#N)CCC2)s1 ZINC000886287432 728759560 /nfs/dbraw/zinc/75/95/60/728759560.db2.gz RHCKLPOJQKKCIF-LLVKDONJSA-N 1 2 280.397 1.723 20 30 CDEDLO Cc1nnc(C[N@@H+](C)C[C@H](O)CC2(C#N)CCC2)s1 ZINC000886287432 728759566 /nfs/dbraw/zinc/75/95/66/728759566.db2.gz RHCKLPOJQKKCIF-LLVKDONJSA-N 1 2 280.397 1.723 20 30 CDEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000834678448 728773237 /nfs/dbraw/zinc/77/32/37/728773237.db2.gz HDJGPWGBWNXCTA-CYBMUJFWSA-N 1 2 266.304 1.628 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cocn2)C1 ZINC001073549265 728787036 /nfs/dbraw/zinc/78/70/36/728787036.db2.gz WWQPNOKNPACDDP-NSHDSACASA-N 1 2 299.758 1.248 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2cocn2)C1 ZINC001073549265 728787049 /nfs/dbraw/zinc/78/70/49/728787049.db2.gz WWQPNOKNPACDDP-NSHDSACASA-N 1 2 299.758 1.248 20 30 CDEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]nnc3c2)[C@H]1C ZINC000994403659 728804903 /nfs/dbraw/zinc/80/49/03/728804903.db2.gz RQEIFSIQDFVYCH-DGCLKSJQSA-N 1 2 299.378 1.727 20 30 CDEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]nnc3c2)[C@H]1C ZINC000994403659 728804905 /nfs/dbraw/zinc/80/49/05/728804905.db2.gz RQEIFSIQDFVYCH-DGCLKSJQSA-N 1 2 299.378 1.727 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ncccc1OC(C)C ZINC001038976448 728806308 /nfs/dbraw/zinc/80/63/08/728806308.db2.gz OXLURJKGOOZKIY-ZDUSSCGKSA-N 1 2 287.363 1.306 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncccc1OC(C)C ZINC001038976448 728806310 /nfs/dbraw/zinc/80/63/10/728806310.db2.gz OXLURJKGOOZKIY-ZDUSSCGKSA-N 1 2 287.363 1.306 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(C#N)oc1C ZINC000874707778 728806965 /nfs/dbraw/zinc/80/69/65/728806965.db2.gz FAIFWDCYHKXFRC-LBPRGKRZSA-N 1 2 291.351 1.300 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cc(C#N)oc1C ZINC000874707778 728806967 /nfs/dbraw/zinc/80/69/67/728806967.db2.gz FAIFWDCYHKXFRC-LBPRGKRZSA-N 1 2 291.351 1.300 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(CCF)CC1 ZINC000884454789 728812732 /nfs/dbraw/zinc/81/27/32/728812732.db2.gz WFPBHFRWXREKSW-LBPRGKRZSA-N 1 2 286.347 1.031 20 30 CDEDLO C[N@H+](Cc1cccc(C#N)n1)[C@@H]1CCCCNC1=O ZINC000876653602 728814862 /nfs/dbraw/zinc/81/48/62/728814862.db2.gz QAPLIVYUQWZNJO-CYBMUJFWSA-N 1 2 258.325 1.054 20 30 CDEDLO C[N@@H+](Cc1cccc(C#N)n1)[C@@H]1CCCCNC1=O ZINC000876653602 728814866 /nfs/dbraw/zinc/81/48/66/728814866.db2.gz QAPLIVYUQWZNJO-CYBMUJFWSA-N 1 2 258.325 1.054 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001042631190 729362701 /nfs/dbraw/zinc/36/27/01/729362701.db2.gz XQZRRNQZNCBXQZ-UHFFFAOYSA-N 1 2 258.325 1.219 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001015319821 728832731 /nfs/dbraw/zinc/83/27/31/728832731.db2.gz XPVHKILHQCJRMC-XDQVBPFNSA-N 1 2 298.814 1.745 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001015319821 728832732 /nfs/dbraw/zinc/83/27/32/728832732.db2.gz XPVHKILHQCJRMC-XDQVBPFNSA-N 1 2 298.814 1.745 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cn(C)nn2)[C@H]1C ZINC000993254239 728857420 /nfs/dbraw/zinc/85/74/20/728857420.db2.gz GAAGSLJJMVNACJ-MNOVXSKESA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn(C)nn2)[C@H]1C ZINC000993254239 728857421 /nfs/dbraw/zinc/85/74/21/728857421.db2.gz GAAGSLJJMVNACJ-MNOVXSKESA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC001030325309 728866844 /nfs/dbraw/zinc/86/68/44/728866844.db2.gz JHZLEHUGUMNQMT-KBPBESRZSA-N 1 2 266.385 1.424 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1Cc2cc(C)c(C)cc2O1 ZINC001039047258 728870781 /nfs/dbraw/zinc/87/07/81/728870781.db2.gz OWRSXMIVVVLZJM-NVXWUHKLSA-N 1 2 298.386 1.431 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1Cc2cc(C)c(C)cc2O1 ZINC001039047258 728870782 /nfs/dbraw/zinc/87/07/82/728870782.db2.gz OWRSXMIVVVLZJM-NVXWUHKLSA-N 1 2 298.386 1.431 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+](CC(=C)C)CCO2)nc1 ZINC001035582813 728890641 /nfs/dbraw/zinc/89/06/41/728890641.db2.gz JROIVWLXLQIGPD-HNNXBMFYSA-N 1 2 299.374 1.070 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](CC(=C)C)CCO2)nc1 ZINC001035582813 728890642 /nfs/dbraw/zinc/89/06/42/728890642.db2.gz JROIVWLXLQIGPD-HNNXBMFYSA-N 1 2 299.374 1.070 20 30 CDEDLO N#Cc1cccc(C(=O)OCc2cc[nH+]c(N)c2)n1 ZINC000811252085 728893982 /nfs/dbraw/zinc/89/39/82/728893982.db2.gz KSQCQATVUUDASG-UHFFFAOYSA-N 1 2 254.249 1.287 20 30 CDEDLO CC[C@@H]1C[N@H+](CCO[C@H](C)C#N)C[C@H](C)[S@]1=O ZINC000796376047 728896948 /nfs/dbraw/zinc/89/69/48/728896948.db2.gz HKXJJTQCMGPXKX-UZTWBRENSA-N 1 2 258.387 1.146 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCO[C@H](C)C#N)C[C@H](C)[S@]1=O ZINC000796376047 728896950 /nfs/dbraw/zinc/89/69/50/728896950.db2.gz HKXJJTQCMGPXKX-UZTWBRENSA-N 1 2 258.387 1.146 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccnc(OC)c2)C1 ZINC001030961886 728898188 /nfs/dbraw/zinc/89/81/88/728898188.db2.gz FLYLDLQUANDHJS-UHFFFAOYSA-N 1 2 275.352 1.009 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1ncc(Cl)s1 ZINC001028024330 728913890 /nfs/dbraw/zinc/91/38/90/728913890.db2.gz ISFKJYHRWAIZEM-VIFPVBQESA-N 1 2 283.784 1.624 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1ncc(Cl)s1 ZINC001028024330 728913893 /nfs/dbraw/zinc/91/38/93/728913893.db2.gz ISFKJYHRWAIZEM-VIFPVBQESA-N 1 2 283.784 1.624 20 30 CDEDLO C=CCCCCNC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875501899 728921427 /nfs/dbraw/zinc/92/14/27/728921427.db2.gz HCZQKCWOOBQLLX-AWEZNQCLSA-N 1 2 283.416 1.753 20 30 CDEDLO C=CCCCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875501899 728921430 /nfs/dbraw/zinc/92/14/30/728921430.db2.gz HCZQKCWOOBQLLX-AWEZNQCLSA-N 1 2 283.416 1.753 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@]23C[C@H]2COC3)C1 ZINC001033098373 728945918 /nfs/dbraw/zinc/94/59/18/728945918.db2.gz GUGLTTPUXBEFML-OBJOEFQTSA-N 1 2 284.787 1.308 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@]23C[C@H]2COC3)C1 ZINC001033098373 728945922 /nfs/dbraw/zinc/94/59/22/728945922.db2.gz GUGLTTPUXBEFML-OBJOEFQTSA-N 1 2 284.787 1.308 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccco1 ZINC001050789143 728383743 /nfs/dbraw/zinc/38/37/43/728383743.db2.gz GUZXHISWAOXZCW-ZDUSSCGKSA-N 1 2 278.352 1.676 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccco1 ZINC001050789143 728383746 /nfs/dbraw/zinc/38/37/46/728383746.db2.gz GUZXHISWAOXZCW-ZDUSSCGKSA-N 1 2 278.352 1.676 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2nccn3cc(C)nc23)C1 ZINC001031213140 728391660 /nfs/dbraw/zinc/39/16/60/728391660.db2.gz QSZOVWGTAQZROR-UHFFFAOYSA-N 1 2 285.351 1.028 20 30 CDEDLO C=CC[N@@H+](C)CN1C(=O)C(C)(C)[C@H]1[C@H]1CCCO1 ZINC000811769546 728435186 /nfs/dbraw/zinc/43/51/86/728435186.db2.gz YLOOHOGHVSFAMM-VXGBXAGGSA-N 1 2 252.358 1.478 20 30 CDEDLO C=CC[N@H+](C)CN1C(=O)C(C)(C)[C@H]1[C@H]1CCCO1 ZINC000811769546 728435188 /nfs/dbraw/zinc/43/51/88/728435188.db2.gz YLOOHOGHVSFAMM-VXGBXAGGSA-N 1 2 252.358 1.478 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)c1ccccc1 ZINC001018195540 728439356 /nfs/dbraw/zinc/43/93/56/728439356.db2.gz QQSUALBCCJGQGT-IXDOHACOSA-N 1 2 298.386 1.683 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)c1ccccc1 ZINC001018195540 728439360 /nfs/dbraw/zinc/43/93/60/728439360.db2.gz QQSUALBCCJGQGT-IXDOHACOSA-N 1 2 298.386 1.683 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1cncs1 ZINC000889509534 728442896 /nfs/dbraw/zinc/44/28/96/728442896.db2.gz VXRWNOLDTFAXJZ-MNOVXSKESA-N 1 2 263.366 1.418 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1cncs1 ZINC000889509534 728442899 /nfs/dbraw/zinc/44/28/99/728442899.db2.gz VXRWNOLDTFAXJZ-MNOVXSKESA-N 1 2 263.366 1.418 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001018633315 728454556 /nfs/dbraw/zinc/45/45/56/728454556.db2.gz WCZSOHFDBNZHOD-PWSUYJOCSA-N 1 2 288.351 1.402 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]12C[C@H]1CCCC2 ZINC001032614401 728455673 /nfs/dbraw/zinc/45/56/73/728455673.db2.gz FJAHDRCWSOYUBH-ORIJERBGSA-N 1 2 258.365 1.485 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]12C[C@H]1CCCC2 ZINC001032614401 728455675 /nfs/dbraw/zinc/45/56/75/728455675.db2.gz FJAHDRCWSOYUBH-ORIJERBGSA-N 1 2 258.365 1.485 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001051071377 728483483 /nfs/dbraw/zinc/48/34/83/728483483.db2.gz YQULKPRKMWFYQD-JHJVBQTASA-N 1 2 252.358 1.036 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001051071377 728483488 /nfs/dbraw/zinc/48/34/88/728483488.db2.gz YQULKPRKMWFYQD-JHJVBQTASA-N 1 2 252.358 1.036 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1C2CC3CC(C2)CC1C3 ZINC001038350034 728483519 /nfs/dbraw/zinc/48/35/19/728483519.db2.gz SNVHYURKFWYMAP-OBYDGYHJSA-N 1 2 286.419 1.882 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1C2CC3CC(C2)CC1C3 ZINC001038350034 728483524 /nfs/dbraw/zinc/48/35/24/728483524.db2.gz SNVHYURKFWYMAP-OBYDGYHJSA-N 1 2 286.419 1.882 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001030991534 728486243 /nfs/dbraw/zinc/48/62/43/728486243.db2.gz WBPMZRHVXWOOBG-CHWSQXEVSA-N 1 2 258.321 1.207 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn2ccc(C)cc12 ZINC001038358179 728501645 /nfs/dbraw/zinc/50/16/45/728501645.db2.gz AHNDYKBRFMRXTI-CYBMUJFWSA-N 1 2 282.347 1.080 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn2ccc(C)cc12 ZINC001038358179 728501646 /nfs/dbraw/zinc/50/16/46/728501646.db2.gz AHNDYKBRFMRXTI-CYBMUJFWSA-N 1 2 282.347 1.080 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccncc1Cl ZINC001032645876 728504766 /nfs/dbraw/zinc/50/47/66/728504766.db2.gz OOXOXUXTZQGKSF-QWRGUYRKSA-N 1 2 275.739 1.267 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccncc1Cl ZINC001032645876 728504770 /nfs/dbraw/zinc/50/47/70/728504770.db2.gz OOXOXUXTZQGKSF-QWRGUYRKSA-N 1 2 275.739 1.267 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](C)C1 ZINC001018021717 728529363 /nfs/dbraw/zinc/52/93/63/728529363.db2.gz CKCOGVWZCCYJAO-ZQDZILKHSA-N 1 2 260.381 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](C)C1 ZINC001018021717 728529366 /nfs/dbraw/zinc/52/93/66/728529366.db2.gz CKCOGVWZCCYJAO-ZQDZILKHSA-N 1 2 260.381 1.731 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2nc(C)sc2C)C1 ZINC001035410775 728529445 /nfs/dbraw/zinc/52/94/45/728529445.db2.gz DOJWECBFJGJCNF-LBPRGKRZSA-N 1 2 295.408 1.377 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2nc(C)sc2C)C1 ZINC001035410775 728529450 /nfs/dbraw/zinc/52/94/50/728529450.db2.gz DOJWECBFJGJCNF-LBPRGKRZSA-N 1 2 295.408 1.377 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1n[nH]c(C)c1C ZINC001027798231 728535893 /nfs/dbraw/zinc/53/58/93/728535893.db2.gz DLVFJASYKWGPJD-LBPRGKRZSA-N 1 2 296.802 1.973 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1n[nH]c(C)c1C ZINC001027798231 728535899 /nfs/dbraw/zinc/53/58/99/728535899.db2.gz DLVFJASYKWGPJD-LBPRGKRZSA-N 1 2 296.802 1.973 20 30 CDEDLO CN(CCC#N)c1ccc(C[N@@H+]2CCc3nn[nH]c3C2)cc1 ZINC000827884616 728536767 /nfs/dbraw/zinc/53/67/67/728536767.db2.gz DVMHEHVMAVOPJO-UHFFFAOYSA-N 1 2 296.378 1.713 20 30 CDEDLO CN(CCC#N)c1ccc(C[N@H+]2CCc3nn[nH]c3C2)cc1 ZINC000827884616 728536771 /nfs/dbraw/zinc/53/67/71/728536771.db2.gz DVMHEHVMAVOPJO-UHFFFAOYSA-N 1 2 296.378 1.713 20 30 CDEDLO CC(N=Nc1cncc(Cl)n1)c1ccc(N)[nH+]c1 ZINC000814797669 728537467 /nfs/dbraw/zinc/53/74/67/728537467.db2.gz NJDONKCEUPAPNH-UHFFFAOYSA-N 1 2 262.704 1.943 20 30 CDEDLO C=C(C)CNC(=S)NCCCNc1cccc[nH+]1 ZINC000060433703 728540030 /nfs/dbraw/zinc/54/00/30/728540030.db2.gz VCLURQMQJKFAGY-UHFFFAOYSA-N 1 2 264.398 1.924 20 30 CDEDLO C=CCC[NH+]1CC(N(C)C(=O)c2c[nH]cc3ncnc2-3)C1 ZINC001042757071 728550102 /nfs/dbraw/zinc/55/01/02/728550102.db2.gz XZXJOXLCKAJCRW-UHFFFAOYSA-N 1 2 285.351 1.290 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)ccc1C ZINC001032753123 728562736 /nfs/dbraw/zinc/56/27/36/728562736.db2.gz GCKAKPBLZWSUNM-GJZGRUSLSA-N 1 2 268.360 1.835 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)ccc1C ZINC001032753123 728562741 /nfs/dbraw/zinc/56/27/41/728562741.db2.gz GCKAKPBLZWSUNM-GJZGRUSLSA-N 1 2 268.360 1.835 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1snnc1C1CC1 ZINC001038372434 728564747 /nfs/dbraw/zinc/56/47/47/728564747.db2.gz WHRGLKWNKQNNNF-NSHDSACASA-N 1 2 292.408 1.796 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1snnc1C1CC1 ZINC001038372434 728564748 /nfs/dbraw/zinc/56/47/48/728564748.db2.gz WHRGLKWNKQNNNF-NSHDSACASA-N 1 2 292.408 1.796 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(C)C ZINC001018120528 728566788 /nfs/dbraw/zinc/56/67/88/728566788.db2.gz VDRJHNGDIMYHJU-BARDWOONSA-N 1 2 260.381 1.587 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(C)C ZINC001018120528 728566789 /nfs/dbraw/zinc/56/67/89/728566789.db2.gz VDRJHNGDIMYHJU-BARDWOONSA-N 1 2 260.381 1.587 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(CC)n1 ZINC001038180307 728576845 /nfs/dbraw/zinc/57/68/45/728576845.db2.gz MJQXKIKPGWHGBI-LLVKDONJSA-N 1 2 261.325 1.064 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(CC)n1 ZINC001038180307 728576848 /nfs/dbraw/zinc/57/68/48/728576848.db2.gz MJQXKIKPGWHGBI-LLVKDONJSA-N 1 2 261.325 1.064 20 30 CDEDLO Cn1ncc2c1CC/C(=C/c1ccc(N)[nH+]c1)C2=O ZINC000821039163 728579045 /nfs/dbraw/zinc/57/90/45/728579045.db2.gz PQOXYTIRFVAEGG-POHAHGRESA-N 1 2 254.293 1.610 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC(C)(C)C=C ZINC000884429033 728589159 /nfs/dbraw/zinc/58/91/59/728589159.db2.gz WHBMEHSMSKECST-NSHDSACASA-N 1 2 268.357 1.152 20 30 CDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc[nH]2)CC1 ZINC001004355674 728589382 /nfs/dbraw/zinc/58/93/82/728589382.db2.gz UYPGCSLTGJWYFX-OAHLLOKOSA-N 1 2 286.379 1.855 20 30 CDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc[nH]2)CC1 ZINC001004355674 728589384 /nfs/dbraw/zinc/58/93/84/728589384.db2.gz UYPGCSLTGJWYFX-OAHLLOKOSA-N 1 2 286.379 1.855 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000811925356 728594006 /nfs/dbraw/zinc/59/40/06/728594006.db2.gz LKPKQTMVGIQWMH-OAHLLOKOSA-N 1 2 295.346 1.778 20 30 CDEDLO C=C1CCC(C(=O)NC[C@H]2COCC[N@@H+]2CCC)CC1 ZINC001051100312 729285076 /nfs/dbraw/zinc/28/50/76/729285076.db2.gz RKKUQYJATQPBOI-HNNXBMFYSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CCn1cc(C(=O)OCC2CN(c3cccc[nH+]3)C2)nn1 ZINC000842884523 728969878 /nfs/dbraw/zinc/96/98/78/728969878.db2.gz SPNGJWVWMMOEKH-UHFFFAOYSA-N 1 2 299.334 1.152 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001038739223 728971514 /nfs/dbraw/zinc/97/15/14/728971514.db2.gz KJSJSVWVZUVOOZ-GFCCVEGCSA-N 1 2 272.352 1.115 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001038739223 728971518 /nfs/dbraw/zinc/97/15/18/728971518.db2.gz KJSJSVWVZUVOOZ-GFCCVEGCSA-N 1 2 272.352 1.115 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(C)nn2C)C1 ZINC001032939300 728996623 /nfs/dbraw/zinc/99/66/23/728996623.db2.gz WXVQTBIORZQIPN-LBPRGKRZSA-N 1 2 296.802 1.627 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)nn2C)C1 ZINC001032939300 728996626 /nfs/dbraw/zinc/99/66/26/728996626.db2.gz WXVQTBIORZQIPN-LBPRGKRZSA-N 1 2 296.802 1.627 20 30 CDEDLO C#CC[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000887611707 728998598 /nfs/dbraw/zinc/99/85/98/728998598.db2.gz NZXYSYNCQSRTNG-CQSZACIVSA-N 1 2 293.411 1.152 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncnc1CC ZINC001018277155 729003464 /nfs/dbraw/zinc/00/34/64/729003464.db2.gz MAASKGPWYJKZTR-BETUJISGSA-N 1 2 286.379 1.514 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncnc1CC ZINC001018277155 729003466 /nfs/dbraw/zinc/00/34/66/729003466.db2.gz MAASKGPWYJKZTR-BETUJISGSA-N 1 2 286.379 1.514 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)[C@@H]1CCCO1 ZINC000799166195 729010995 /nfs/dbraw/zinc/01/09/95/729010995.db2.gz BNXLMDRRGKGUIM-CABCVRRESA-N 1 2 282.347 1.538 20 30 CDEDLO C=C(C)C[C@@H](CO)NC(=O)NCCCNc1cccc[nH+]1 ZINC000883134835 729035849 /nfs/dbraw/zinc/03/58/49/729035849.db2.gz KTODMXPPWSFSBD-ZDUSSCGKSA-N 1 2 292.383 1.510 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001038446338 729063346 /nfs/dbraw/zinc/06/33/46/729063346.db2.gz PFTDJXVUKUKKBC-LBPRGKRZSA-N 1 2 288.395 1.535 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001038446338 729063349 /nfs/dbraw/zinc/06/33/49/729063349.db2.gz PFTDJXVUKUKKBC-LBPRGKRZSA-N 1 2 288.395 1.535 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001035337325 729067543 /nfs/dbraw/zinc/06/75/43/729067543.db2.gz SUWQIFBRSKYRFQ-RYUDHWBXSA-N 1 2 252.358 1.036 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001035337325 729067545 /nfs/dbraw/zinc/06/75/45/729067545.db2.gz SUWQIFBRSKYRFQ-RYUDHWBXSA-N 1 2 252.358 1.036 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)ccc1OC ZINC001017713857 729107475 /nfs/dbraw/zinc/10/74/75/729107475.db2.gz TYXDLZDVZXHWRL-GASCZTMLSA-N 1 2 298.386 1.926 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)ccc1OC ZINC001017713857 729107479 /nfs/dbraw/zinc/10/74/79/729107479.db2.gz TYXDLZDVZXHWRL-GASCZTMLSA-N 1 2 298.386 1.926 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)[C@@H](C)CO2 ZINC001032582346 729109268 /nfs/dbraw/zinc/10/92/68/729109268.db2.gz WOPWGJYTSRAPFX-QEJZJMRPSA-N 1 2 296.370 1.714 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)[C@@H](C)CO2 ZINC001032582346 729109269 /nfs/dbraw/zinc/10/92/69/729109269.db2.gz WOPWGJYTSRAPFX-QEJZJMRPSA-N 1 2 296.370 1.714 20 30 CDEDLO C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001020344567 729135387 /nfs/dbraw/zinc/13/53/87/729135387.db2.gz ZBCSWFFVAZMWLA-MGCOHNPYSA-N 1 2 294.786 1.501 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)C)C[C@@H]21 ZINC001074174311 729147865 /nfs/dbraw/zinc/14/78/65/729147865.db2.gz NLKWTTLDFJEZJP-UONOGXRCSA-N 1 2 266.385 1.520 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)C)C[C@@H]21 ZINC001074174311 729147867 /nfs/dbraw/zinc/14/78/67/729147867.db2.gz NLKWTTLDFJEZJP-UONOGXRCSA-N 1 2 266.385 1.520 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC001028151462 729153252 /nfs/dbraw/zinc/15/32/52/729153252.db2.gz SPUZOLFZLBAOCC-FRRDWIJNSA-N 1 2 286.803 1.887 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC001028151462 729153255 /nfs/dbraw/zinc/15/32/55/729153255.db2.gz SPUZOLFZLBAOCC-FRRDWIJNSA-N 1 2 286.803 1.887 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@@H](CC)C1 ZINC001018154488 729157685 /nfs/dbraw/zinc/15/76/85/729157685.db2.gz CMWNXDIBGHIUOY-WCVJEAGWSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@@H](CC)C1 ZINC001018154488 729157694 /nfs/dbraw/zinc/15/76/94/729157694.db2.gz CMWNXDIBGHIUOY-WCVJEAGWSA-N 1 2 290.407 1.500 20 30 CDEDLO CN(CC#N)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001027649791 729192300 /nfs/dbraw/zinc/19/23/00/729192300.db2.gz UCFDVHOGZZQOKD-GFCCVEGCSA-N 1 2 289.383 1.134 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OC)n1 ZINC001018131743 729239305 /nfs/dbraw/zinc/23/93/05/729239305.db2.gz FEHGSRXDUURTRL-BETUJISGSA-N 1 2 285.347 1.012 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OC)n1 ZINC001018131743 729239311 /nfs/dbraw/zinc/23/93/11/729239311.db2.gz FEHGSRXDUURTRL-BETUJISGSA-N 1 2 285.347 1.012 20 30 CDEDLO N#Cc1cccc(Cn2cc(C[NH+]3CCC(O)CC3)nn2)c1 ZINC000883991866 729263181 /nfs/dbraw/zinc/26/31/81/729263181.db2.gz SNXVWXLUTHUNFM-UHFFFAOYSA-N 1 2 297.362 1.155 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001032590243 729274612 /nfs/dbraw/zinc/27/46/12/729274612.db2.gz VBXVUDCKVGKCQA-YQQAZPJKSA-N 1 2 298.361 1.774 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001032590243 729274613 /nfs/dbraw/zinc/27/46/13/729274613.db2.gz VBXVUDCKVGKCQA-YQQAZPJKSA-N 1 2 298.361 1.774 20 30 CDEDLO C=C1CCC(C(=O)NC[C@H]2COCC[N@H+]2CCC)CC1 ZINC001051100312 729285071 /nfs/dbraw/zinc/28/50/71/729285071.db2.gz RKKUQYJATQPBOI-HNNXBMFYSA-N 1 2 280.412 1.960 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2=COCCC2)C1 ZINC001032939110 729288074 /nfs/dbraw/zinc/28/80/74/729288074.db2.gz BMLSCVCJLJCMBR-CYBMUJFWSA-N 1 2 284.787 1.966 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2=COCCC2)C1 ZINC001032939110 729288077 /nfs/dbraw/zinc/28/80/77/729288077.db2.gz BMLSCVCJLJCMBR-CYBMUJFWSA-N 1 2 284.787 1.966 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001046623957 729304144 /nfs/dbraw/zinc/30/41/44/729304144.db2.gz FFKRFMQFTYAPRA-OSMZGAPFSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001046623957 729304146 /nfs/dbraw/zinc/30/41/46/729304146.db2.gz FFKRFMQFTYAPRA-OSMZGAPFSA-N 1 2 286.803 1.745 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2ccc3cccnc3c2)C1 ZINC001030508620 729314114 /nfs/dbraw/zinc/31/41/14/729314114.db2.gz ZVJUHCNBIPASNA-UHFFFAOYSA-N 1 2 281.359 1.764 20 30 CDEDLO C=CC1CCN(C(=O)N[C@H](CC)C[NH+]2CCOCC2)CC1 ZINC000925587360 729317862 /nfs/dbraw/zinc/31/78/62/729317862.db2.gz XWRSCTAPFVLIBF-OAHLLOKOSA-N 1 2 295.427 1.705 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnc(C)s2)C1 ZINC001035310540 729319007 /nfs/dbraw/zinc/31/90/07/729319007.db2.gz PQRXJFRPORWJCO-GFCCVEGCSA-N 1 2 295.408 1.458 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnc(C)s2)C1 ZINC001035310540 729319010 /nfs/dbraw/zinc/31/90/10/729319010.db2.gz PQRXJFRPORWJCO-GFCCVEGCSA-N 1 2 295.408 1.458 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(CC)cc1 ZINC000884047122 729320072 /nfs/dbraw/zinc/32/00/72/729320072.db2.gz GCSNLRYOOYFTCI-ZDUSSCGKSA-N 1 2 276.336 1.634 20 30 CDEDLO C=CC[N@H+](CN1C[C@@H](C2CC2)CC1=O)[C@@H](C)COC ZINC000853535607 729325751 /nfs/dbraw/zinc/32/57/51/729325751.db2.gz XJBALPYJAMSCED-JSGCOSHPSA-N 1 2 266.385 1.725 20 30 CDEDLO C=CC[N@@H+](CN1C[C@@H](C2CC2)CC1=O)[C@@H](C)COC ZINC000853535607 729325752 /nfs/dbraw/zinc/32/57/52/729325752.db2.gz XJBALPYJAMSCED-JSGCOSHPSA-N 1 2 266.385 1.725 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C)c1F ZINC001032416249 729327219 /nfs/dbraw/zinc/32/72/19/729327219.db2.gz FCQPYTITDYDGHA-STQMWFEESA-N 1 2 272.323 1.666 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C)c1F ZINC001032416249 729327220 /nfs/dbraw/zinc/32/72/20/729327220.db2.gz FCQPYTITDYDGHA-STQMWFEESA-N 1 2 272.323 1.666 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)C2(C)CC2)CC1 ZINC000795510988 729329251 /nfs/dbraw/zinc/32/92/51/729329251.db2.gz BHSIHZVSFPORKG-UHFFFAOYSA-N 1 2 263.337 1.244 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnnc3ccccc32)C1 ZINC001031012179 729349307 /nfs/dbraw/zinc/34/93/07/729349307.db2.gz LNAWQZRLGQYCNI-UHFFFAOYSA-N 1 2 280.331 1.067 20 30 CDEDLO N#CCc1cccc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000881147228 729350301 /nfs/dbraw/zinc/35/03/01/729350301.db2.gz JTDFTIJJPYJYNW-GFCCVEGCSA-N 1 2 296.334 1.481 20 30 CDEDLO C=CCOc1ccccc1C(=O)NCC1C[NH+](CCF)C1 ZINC001031778640 729357654 /nfs/dbraw/zinc/35/76/54/729357654.db2.gz SYCODKDSBSZJPG-UHFFFAOYSA-N 1 2 292.354 1.883 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2ccccc2c1 ZINC001038757582 729363579 /nfs/dbraw/zinc/36/35/79/729363579.db2.gz ZNQPSAQCPFUXCH-OAHLLOKOSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2ccccc2c1 ZINC001038757582 729363581 /nfs/dbraw/zinc/36/35/81/729363581.db2.gz ZNQPSAQCPFUXCH-OAHLLOKOSA-N 1 2 279.343 1.672 20 30 CDEDLO C=CCCC(C)(C)NC(=O)C[C@H]([NH3+])C(=O)OCC=C ZINC000884419337 729363725 /nfs/dbraw/zinc/36/37/25/729363725.db2.gz OADCDOQDNZQRFH-NSHDSACASA-N 1 2 268.357 1.294 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C(F)F)ncn2)C1 ZINC001043078005 729365708 /nfs/dbraw/zinc/36/57/08/729365708.db2.gz CFDASETUWUQYSI-UHFFFAOYSA-N 1 2 296.321 1.747 20 30 CDEDLO C=CCC1(O)CC[NH+](CN2CC(F)(F)CC2=O)CC1 ZINC000884479924 729378954 /nfs/dbraw/zinc/37/89/54/729378954.db2.gz WZAMCYRIARQHGX-UHFFFAOYSA-N 1 2 274.311 1.215 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cccs2)C1 ZINC001035286367 729379748 /nfs/dbraw/zinc/37/97/48/729379748.db2.gz CJGRZROMXNPWQB-GFCCVEGCSA-N 1 2 278.377 1.202 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cccs2)C1 ZINC001035286367 729379751 /nfs/dbraw/zinc/37/97/51/729379751.db2.gz CJGRZROMXNPWQB-GFCCVEGCSA-N 1 2 278.377 1.202 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(C)nc2)C1 ZINC001016258789 729382262 /nfs/dbraw/zinc/38/22/62/729382262.db2.gz JDKZCJGNUHMJIF-AWEZNQCLSA-N 1 2 293.798 1.876 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(C)nc2)C1 ZINC001016258789 729382263 /nfs/dbraw/zinc/38/22/63/729382263.db2.gz JDKZCJGNUHMJIF-AWEZNQCLSA-N 1 2 293.798 1.876 20 30 CDEDLO CO[C@@H](C)c1noc(CO[NH+]=C(N)c2ccccc2)n1 ZINC000177526592 729383368 /nfs/dbraw/zinc/38/33/68/729383368.db2.gz YTBXSHSHBXPNQS-VIFPVBQESA-N 1 2 276.296 1.614 20 30 CDEDLO CC[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cccc(C#N)c1O ZINC000925103237 729403843 /nfs/dbraw/zinc/40/38/43/729403843.db2.gz HRIBXMMBQOWBRQ-OCCSQVGLSA-N 1 2 287.363 1.925 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001017675762 729464328 /nfs/dbraw/zinc/46/43/28/729464328.db2.gz KHXVAUAWHCJCOL-LJIZCISZSA-N 1 2 272.392 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001017675762 729464329 /nfs/dbraw/zinc/46/43/29/729464329.db2.gz KHXVAUAWHCJCOL-LJIZCISZSA-N 1 2 272.392 1.731 20 30 CDEDLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000933223657 729465364 /nfs/dbraw/zinc/46/53/64/729465364.db2.gz XGSQGDUJDUKFCW-CQSZACIVSA-N 1 2 275.327 1.798 20 30 CDEDLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000933223657 729465366 /nfs/dbraw/zinc/46/53/66/729465366.db2.gz XGSQGDUJDUKFCW-CQSZACIVSA-N 1 2 275.327 1.798 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C(F)(F)F)cn1 ZINC001038569886 729474990 /nfs/dbraw/zinc/47/49/90/729474990.db2.gz GAWXAHBZALMURZ-NSHDSACASA-N 1 2 297.280 1.538 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(F)(F)F)cn1 ZINC001038569886 729474993 /nfs/dbraw/zinc/47/49/93/729474993.db2.gz GAWXAHBZALMURZ-NSHDSACASA-N 1 2 297.280 1.538 20 30 CDEDLO N#C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CCCC1 ZINC000921550397 729484082 /nfs/dbraw/zinc/48/40/82/729484082.db2.gz JVCIWRKTYSZLQS-GXTWGEPZSA-N 1 2 272.352 1.644 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC3CC3)C[C@@H]21 ZINC001074140128 729512676 /nfs/dbraw/zinc/51/26/76/729512676.db2.gz BSHOTDXFAZPSOR-LSDHHAIUSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC3CC3)C[C@@H]21 ZINC001074140128 729512679 /nfs/dbraw/zinc/51/26/79/729512679.db2.gz BSHOTDXFAZPSOR-LSDHHAIUSA-N 1 2 276.380 1.112 20 30 CDEDLO Cc1cc(C(N)=[NH+]OC[C@H]2CCNC(=O)CC2)ccc1F ZINC000842021572 729541694 /nfs/dbraw/zinc/54/16/94/729541694.db2.gz BKCGVMWNJFBBAM-LLVKDONJSA-N 1 2 293.342 1.687 20 30 CDEDLO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032844686 729568470 /nfs/dbraw/zinc/56/84/70/729568470.db2.gz MALUHZKMUNMVAN-OAHLLOKOSA-N 1 2 275.327 1.750 20 30 CDEDLO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032844686 729568472 /nfs/dbraw/zinc/56/84/72/729568472.db2.gz MALUHZKMUNMVAN-OAHLLOKOSA-N 1 2 275.327 1.750 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cscn1 ZINC001032311789 729574338 /nfs/dbraw/zinc/57/43/38/729574338.db2.gz PLOOHDWDEDFLHR-QWRGUYRKSA-N 1 2 261.350 1.065 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cscn1 ZINC001032311789 729574340 /nfs/dbraw/zinc/57/43/40/729574340.db2.gz PLOOHDWDEDFLHR-QWRGUYRKSA-N 1 2 261.350 1.065 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2nn(C)c3ccccc23)C1 ZINC001044208071 729658906 /nfs/dbraw/zinc/65/89/06/729658906.db2.gz XGOVPNXMPHEPOA-UHFFFAOYSA-N 1 2 296.374 1.353 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(F)cncc1F ZINC001032426885 729669196 /nfs/dbraw/zinc/66/91/96/729669196.db2.gz AYOCVMZTILXMIO-QWRGUYRKSA-N 1 2 291.301 1.282 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(F)cncc1F ZINC001032426885 729669200 /nfs/dbraw/zinc/66/92/00/729669200.db2.gz AYOCVMZTILXMIO-QWRGUYRKSA-N 1 2 291.301 1.282 20 30 CDEDLO N#CCC1CC[NH+](Cc2cn(C[C@@H]3CCCO3)nn2)CC1 ZINC000877191523 729675136 /nfs/dbraw/zinc/67/51/36/729675136.db2.gz YSXHGEWCUTZOKL-HNNXBMFYSA-N 1 2 289.383 1.583 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccn1C ZINC001027759898 729683916 /nfs/dbraw/zinc/68/39/16/729683916.db2.gz NUDSZMHHJDNWOD-GFCCVEGCSA-N 1 2 281.787 1.972 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccn1C ZINC001027759898 729683920 /nfs/dbraw/zinc/68/39/20/729683920.db2.gz NUDSZMHHJDNWOD-GFCCVEGCSA-N 1 2 281.787 1.972 20 30 CDEDLO C[C@@H]1C[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004505578 729684259 /nfs/dbraw/zinc/68/42/59/729684259.db2.gz HHTCJJYZZQCXDM-YUELXQCFSA-N 1 2 275.396 1.869 20 30 CDEDLO C[C@@H]1C[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004505578 729684262 /nfs/dbraw/zinc/68/42/62/729684262.db2.gz HHTCJJYZZQCXDM-YUELXQCFSA-N 1 2 275.396 1.869 20 30 CDEDLO C[C@@H](C#N)OCC[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000801909326 729685616 /nfs/dbraw/zinc/68/56/16/729685616.db2.gz BOZCKMLPFATFHT-AWEZNQCLSA-N 1 2 287.363 1.373 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccccc2OC)CC1 ZINC000824867613 729708446 /nfs/dbraw/zinc/70/84/46/729708446.db2.gz SPLMWZVESGEVKY-UHFFFAOYSA-N 1 2 288.347 1.974 20 30 CDEDLO C#Cc1cccc(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000836411994 729714293 /nfs/dbraw/zinc/71/42/93/729714293.db2.gz ZGJPPXNFCBJHMF-HNNXBMFYSA-N 1 2 294.358 1.679 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc2c(s1)CCC2 ZINC001032520105 729757454 /nfs/dbraw/zinc/75/74/54/729757454.db2.gz DJJUDIZSAMXPTA-QWRGUYRKSA-N 1 2 289.404 1.717 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc2c(s1)CCC2 ZINC001032520105 729757456 /nfs/dbraw/zinc/75/74/56/729757456.db2.gz DJJUDIZSAMXPTA-QWRGUYRKSA-N 1 2 289.404 1.717 20 30 CDEDLO COCC[N@H+](CCC#N)Cc1cc2c(cc1O)OCO2 ZINC000103135134 729801936 /nfs/dbraw/zinc/80/19/36/729801936.db2.gz NKWCJMOXOAHRFA-UHFFFAOYSA-N 1 2 278.308 1.483 20 30 CDEDLO COCC[N@@H+](CCC#N)Cc1cc2c(cc1O)OCO2 ZINC000103135134 729801937 /nfs/dbraw/zinc/80/19/37/729801937.db2.gz NKWCJMOXOAHRFA-UHFFFAOYSA-N 1 2 278.308 1.483 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cncn2C)[C@H]1C ZINC000993535974 729810590 /nfs/dbraw/zinc/81/05/90/729810590.db2.gz JXSDBMVBIDMARS-VXGBXAGGSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cncn2C)[C@H]1C ZINC000993535974 729810591 /nfs/dbraw/zinc/81/05/91/729810591.db2.gz JXSDBMVBIDMARS-VXGBXAGGSA-N 1 2 296.802 1.755 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[C@H]1C(C)C)CCO2 ZINC001053490143 729813745 /nfs/dbraw/zinc/81/37/45/729813745.db2.gz KUGRFOUEZOIMFE-GJZGRUSLSA-N 1 2 292.423 1.768 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(C(C)C)n1 ZINC001038768800 729813807 /nfs/dbraw/zinc/81/38/07/729813807.db2.gz SCRLPHFBXHRYSS-CYBMUJFWSA-N 1 2 274.368 1.291 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(C(C)C)n1 ZINC001038768800 729813809 /nfs/dbraw/zinc/81/38/09/729813809.db2.gz SCRLPHFBXHRYSS-CYBMUJFWSA-N 1 2 274.368 1.291 20 30 CDEDLO CCC(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001009816218 729820055 /nfs/dbraw/zinc/82/00/55/729820055.db2.gz PSQXMLSVCDJJLQ-CYBMUJFWSA-N 1 2 275.327 1.798 20 30 CDEDLO CCC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001009816218 729820058 /nfs/dbraw/zinc/82/00/58/729820058.db2.gz PSQXMLSVCDJJLQ-CYBMUJFWSA-N 1 2 275.327 1.798 20 30 CDEDLO N#CCc1cccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)n1 ZINC000882472821 729823928 /nfs/dbraw/zinc/82/39/28/729823928.db2.gz VHEBGMVSUKVKNM-NSHDSACASA-N 1 2 281.319 1.545 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cnnn2C)C1 ZINC001033817849 729826484 /nfs/dbraw/zinc/82/64/84/729826484.db2.gz UJNPBDATSGWGOW-NSHDSACASA-N 1 2 297.790 1.104 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cnnn2C)C1 ZINC001033817849 729826485 /nfs/dbraw/zinc/82/64/85/729826485.db2.gz UJNPBDATSGWGOW-NSHDSACASA-N 1 2 297.790 1.104 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)[C@@H]2CCCO2)C1 ZINC001030920522 729827153 /nfs/dbraw/zinc/82/71/53/729827153.db2.gz SQEUNBYYIOMPBM-YPMHNXCESA-N 1 2 252.358 1.178 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cnnn2C)CC[C@@H]1C ZINC001071482157 729832631 /nfs/dbraw/zinc/83/26/31/729832631.db2.gz UUTCOSXAUHHUGB-QWRGUYRKSA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cnnn2C)CC[C@@H]1C ZINC001071482157 729832632 /nfs/dbraw/zinc/83/26/32/729832632.db2.gz UUTCOSXAUHHUGB-QWRGUYRKSA-N 1 2 297.790 1.150 20 30 CDEDLO Cn1c(C#N)ccc1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000835373135 729833967 /nfs/dbraw/zinc/83/39/67/729833967.db2.gz ZVQPMHQBQILUCA-LLVKDONJSA-N 1 2 265.288 1.097 20 30 CDEDLO Cn1c(C#N)ccc1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000835373135 729833968 /nfs/dbraw/zinc/83/39/68/729833968.db2.gz ZVQPMHQBQILUCA-LLVKDONJSA-N 1 2 265.288 1.097 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cscn1)CCO2 ZINC001053182183 729842349 /nfs/dbraw/zinc/84/23/49/729842349.db2.gz FMPFYANFQSHLIP-UHFFFAOYSA-N 1 2 293.392 1.246 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2ccc(OCC)cc2)C1 ZINC001031351539 729846494 /nfs/dbraw/zinc/84/64/94/729846494.db2.gz CMYFVENBRMDBSD-UHFFFAOYSA-N 1 2 274.364 1.614 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NC2CC[NH+](Cc3ccon3)CC2)c1 ZINC001002551733 729854660 /nfs/dbraw/zinc/85/46/60/729854660.db2.gz POUKJFRIYCWNEU-UHFFFAOYSA-N 1 2 299.334 1.269 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001035470458 729856144 /nfs/dbraw/zinc/85/61/44/729856144.db2.gz MNMWONKBUXERMA-FRRDWIJNSA-N 1 2 252.358 1.036 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001035470458 729856145 /nfs/dbraw/zinc/85/61/45/729856145.db2.gz MNMWONKBUXERMA-FRRDWIJNSA-N 1 2 252.358 1.036 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C/C3CC3)C[C@@H]21 ZINC001074201191 729859115 /nfs/dbraw/zinc/85/91/15/729859115.db2.gz HNYQLAMQSAFERC-BUWFCSEKSA-N 1 2 288.391 1.278 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C/C3CC3)C[C@@H]21 ZINC001074201191 729859116 /nfs/dbraw/zinc/85/91/16/729859116.db2.gz HNYQLAMQSAFERC-BUWFCSEKSA-N 1 2 288.391 1.278 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccn(CC)n1 ZINC001028181540 729868004 /nfs/dbraw/zinc/86/80/04/729868004.db2.gz VQEIUPHZMWPVPM-GFCCVEGCSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(CC)n1 ZINC001028181540 729868005 /nfs/dbraw/zinc/86/80/05/729868005.db2.gz VQEIUPHZMWPVPM-GFCCVEGCSA-N 1 2 296.802 1.850 20 30 CDEDLO CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001050872078 729875207 /nfs/dbraw/zinc/87/52/07/729875207.db2.gz JDQROFKESHNBDE-ZDUSSCGKSA-N 1 2 290.367 1.117 20 30 CDEDLO CCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001050872078 729875208 /nfs/dbraw/zinc/87/52/08/729875208.db2.gz JDQROFKESHNBDE-ZDUSSCGKSA-N 1 2 290.367 1.117 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)C1CC1)CCO2 ZINC001053210073 729875758 /nfs/dbraw/zinc/87/57/58/729875758.db2.gz UMULGDAYGBBMGZ-CYBMUJFWSA-N 1 2 278.396 1.522 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1CC2(C1)CCOCC2 ZINC001038927364 729884724 /nfs/dbraw/zinc/88/47/24/729884724.db2.gz VQKRGKHGZYTNEB-CQSZACIVSA-N 1 2 276.380 1.017 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1CC2(C1)CCOCC2 ZINC001038927364 729884725 /nfs/dbraw/zinc/88/47/25/729884725.db2.gz VQKRGKHGZYTNEB-CQSZACIVSA-N 1 2 276.380 1.017 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(OC)o1 ZINC001051177376 729888501 /nfs/dbraw/zinc/88/85/01/729888501.db2.gz GOFWAMUTDSKPKZ-GFCCVEGCSA-N 1 2 294.351 1.295 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(OC)o1 ZINC001051177376 729888504 /nfs/dbraw/zinc/88/85/04/729888504.db2.gz GOFWAMUTDSKPKZ-GFCCVEGCSA-N 1 2 294.351 1.295 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CC(C)(C)C#N ZINC000925602866 729890528 /nfs/dbraw/zinc/89/05/28/729890528.db2.gz XUYWOEHTZWHAIT-CYBMUJFWSA-N 1 2 296.415 1.288 20 30 CDEDLO C=CC[N@H+]1CC[C@@H](NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001014757781 729891321 /nfs/dbraw/zinc/89/13/21/729891321.db2.gz QKZDCYDMDOBDIH-SECBINFHSA-N 1 2 282.775 1.616 20 30 CDEDLO C[C@H](NC(=O)NCc1c[nH+]cn1C)c1cccc(C#N)c1 ZINC000811887626 729894531 /nfs/dbraw/zinc/89/45/31/729894531.db2.gz UEIQBVSXIFSGIB-NSHDSACASA-N 1 2 283.335 1.852 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1nc(C)cs1 ZINC000858403496 729898959 /nfs/dbraw/zinc/89/89/59/729898959.db2.gz GEDZTSLIFMGYKE-JTQLQIEISA-N 1 2 274.411 1.703 20 30 CDEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(CO)(CO)CC1 ZINC000879969513 729905701 /nfs/dbraw/zinc/90/57/01/729905701.db2.gz MRMMKXBMSZDNIH-UHFFFAOYSA-N 1 2 278.327 1.264 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000822935108 729919772 /nfs/dbraw/zinc/91/97/72/729919772.db2.gz MUIPKENZHOUYCP-KRWDZBQOSA-N 1 2 285.391 1.628 20 30 CDEDLO C=C(Br)C[N@H+]1CCC[C@H](NC(C)=O)[C@H]1C ZINC000992927719 729924718 /nfs/dbraw/zinc/92/47/18/729924718.db2.gz XUZFQDYOZNZMHW-KOLCDFICSA-N 1 2 275.190 1.884 20 30 CDEDLO C=C(Br)C[N@@H+]1CCC[C@H](NC(C)=O)[C@H]1C ZINC000992927719 729924719 /nfs/dbraw/zinc/92/47/19/729924719.db2.gz XUZFQDYOZNZMHW-KOLCDFICSA-N 1 2 275.190 1.884 20 30 CDEDLO C=C(C)C[C@@H](CO)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000883734365 729931775 /nfs/dbraw/zinc/93/17/75/729931775.db2.gz WJEOUVGAOXIHHQ-AWEZNQCLSA-N 1 2 277.368 1.825 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)/C(C)=C/C)C[C@@H]21 ZINC001074205630 729938211 /nfs/dbraw/zinc/93/82/11/729938211.db2.gz VAPRWWVJFYRJGD-YDYWWVRFSA-N 1 2 278.396 1.830 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)/C(C)=C/C)C[C@@H]21 ZINC001074205630 729938219 /nfs/dbraw/zinc/93/82/19/729938219.db2.gz VAPRWWVJFYRJGD-YDYWWVRFSA-N 1 2 278.396 1.830 20 30 CDEDLO C[C@H]1C[NH+]=C(NN=Cc2conc2Cc2ccccc2)N1 ZINC000814897827 729956534 /nfs/dbraw/zinc/95/65/34/729956534.db2.gz NFSKGUIASOSDLR-NSHDSACASA-N 1 2 283.335 1.537 20 30 CDEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+]2[C@H](C)C(=O)NC)CC1 ZINC001038668541 729961676 /nfs/dbraw/zinc/96/16/76/729961676.db2.gz VBOILKOEQXOELG-OCCSQVGLSA-N 1 2 293.411 1.058 20 30 CDEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+]2[C@H](C)C(=O)NC)CC1 ZINC001038668541 729961679 /nfs/dbraw/zinc/96/16/79/729961679.db2.gz VBOILKOEQXOELG-OCCSQVGLSA-N 1 2 293.411 1.058 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccoc2CC)C1 ZINC001035358944 729978939 /nfs/dbraw/zinc/97/89/39/729978939.db2.gz OLIFKLJFHHPMNJ-ZDUSSCGKSA-N 1 2 290.363 1.296 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccoc2CC)C1 ZINC001035358944 729978940 /nfs/dbraw/zinc/97/89/40/729978940.db2.gz OLIFKLJFHHPMNJ-ZDUSSCGKSA-N 1 2 290.363 1.296 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3[nH]cnc32)C1 ZINC001033525393 729990637 /nfs/dbraw/zinc/99/06/37/729990637.db2.gz GKGDODBLLVRFKQ-ZDUSSCGKSA-N 1 2 296.374 1.733 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc3[nH]cnc32)C1 ZINC001033525393 729990640 /nfs/dbraw/zinc/99/06/40/729990640.db2.gz GKGDODBLLVRFKQ-ZDUSSCGKSA-N 1 2 296.374 1.733 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000935713123 729999756 /nfs/dbraw/zinc/99/97/56/729999756.db2.gz PGOYVIRHLLWBAU-KBPBESRZSA-N 1 2 268.401 1.768 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)CC=CCC1 ZINC001032419669 730000985 /nfs/dbraw/zinc/00/09/85/730000985.db2.gz DWLITHLGISYBEN-DZKIICNBSA-N 1 2 258.365 1.651 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)CC=CCC1 ZINC001032419669 730000988 /nfs/dbraw/zinc/00/09/88/730000988.db2.gz DWLITHLGISYBEN-DZKIICNBSA-N 1 2 258.365 1.651 20 30 CDEDLO C=C(C)C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)OCC ZINC000881757324 730003308 /nfs/dbraw/zinc/00/33/08/730003308.db2.gz UNIXFMLFSNLHCR-QWHCGFSZSA-N 1 2 293.367 1.848 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2CC(OC)C2)C1 ZINC001031754275 730019106 /nfs/dbraw/zinc/01/91/06/730019106.db2.gz UUXLOYOVAOTMQH-UHFFFAOYSA-N 1 2 272.776 1.212 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)c3cn[nH]n3)CCC[C@H]12 ZINC000991573096 730027401 /nfs/dbraw/zinc/02/74/01/730027401.db2.gz WXKQZNAFQLZMLP-AAEUAGOBSA-N 1 2 295.774 1.284 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)c3cn[nH]n3)CCC[C@H]12 ZINC000991573096 730027404 /nfs/dbraw/zinc/02/74/04/730027404.db2.gz WXKQZNAFQLZMLP-AAEUAGOBSA-N 1 2 295.774 1.284 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2ccc(OC)cc2)CC1 ZINC000383948266 730040974 /nfs/dbraw/zinc/04/09/74/730040974.db2.gz MXYYOWXJFSSQCL-TWGQIWQCSA-N 1 2 284.359 1.486 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cc1nc(N)c2ccccc2n1 ZINC000852752265 730047327 /nfs/dbraw/zinc/04/73/27/730047327.db2.gz SKWRJGMNRCSFIA-UHFFFAOYSA-N 1 2 284.363 1.684 20 30 CDEDLO C#CCC[N@H+](CCOC)Cc1nc(N)c2ccccc2n1 ZINC000852752265 730047331 /nfs/dbraw/zinc/04/73/31/730047331.db2.gz SKWRJGMNRCSFIA-UHFFFAOYSA-N 1 2 284.363 1.684 20 30 CDEDLO C#CCCCCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000119489412 730064940 /nfs/dbraw/zinc/06/49/40/730064940.db2.gz INNWNALLEHCXNU-UHFFFAOYSA-N 1 2 266.385 1.407 20 30 CDEDLO COC(=O)[C@@H](C[C@@H]1CCCO1)[NH2+]CCCSCC#N ZINC000886950976 730065937 /nfs/dbraw/zinc/06/59/37/730065937.db2.gz UWPFHWUYSHRQHQ-NWDGAFQWSA-N 1 2 286.397 1.334 20 30 CDEDLO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2c[nH]cc3ncnc2-3)C1 ZINC001014488168 730293661 /nfs/dbraw/zinc/29/36/61/730293661.db2.gz BIVBRZACEGWQLL-LBPRGKRZSA-N 1 2 299.378 1.728 20 30 CDEDLO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2c[nH]cc3ncnc2-3)C1 ZINC001014488168 730293673 /nfs/dbraw/zinc/29/36/73/730293673.db2.gz BIVBRZACEGWQLL-LBPRGKRZSA-N 1 2 299.378 1.728 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1(C)CC=CC1)CO2 ZINC001053916076 730293945 /nfs/dbraw/zinc/29/39/45/730293945.db2.gz BOQWESRQRDXVRH-AWEZNQCLSA-N 1 2 290.407 1.878 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c(C)cccc2F)C1 ZINC001031481771 730306228 /nfs/dbraw/zinc/30/62/28/730306228.db2.gz FEUQZDMHOQXOIU-UHFFFAOYSA-N 1 2 260.312 1.571 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001027813010 730317805 /nfs/dbraw/zinc/31/78/05/730317805.db2.gz LIJFPRDKBWZSQS-GFCCVEGCSA-N 1 2 292.770 1.833 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001027813010 730317810 /nfs/dbraw/zinc/31/78/10/730317810.db2.gz LIJFPRDKBWZSQS-GFCCVEGCSA-N 1 2 292.770 1.833 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1nc(CC)oc1C ZINC001038808992 730335722 /nfs/dbraw/zinc/33/57/22/730335722.db2.gz VPOZSLGRHNWEAL-GFCCVEGCSA-N 1 2 275.352 1.373 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc(CC)oc1C ZINC001038808992 730335723 /nfs/dbraw/zinc/33/57/23/730335723.db2.gz VPOZSLGRHNWEAL-GFCCVEGCSA-N 1 2 275.352 1.373 20 30 CDEDLO N#CC1(C[C@H](O)C[N@@H+]2CCc3c[nH]nc3C2)CCC1 ZINC000886080695 730336603 /nfs/dbraw/zinc/33/66/03/730336603.db2.gz FRVZHHWIYQOYMA-LBPRGKRZSA-N 1 2 260.341 1.213 20 30 CDEDLO N#CC1(C[C@H](O)C[N@H+]2CCc3c[nH]nc3C2)CCC1 ZINC000886080695 730336607 /nfs/dbraw/zinc/33/66/07/730336607.db2.gz FRVZHHWIYQOYMA-LBPRGKRZSA-N 1 2 260.341 1.213 20 30 CDEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CC)s2)C1 ZINC001047448651 730342138 /nfs/dbraw/zinc/34/21/38/730342138.db2.gz UEBWUUAKPKLPRN-STQMWFEESA-N 1 2 292.404 1.061 20 30 CDEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CC)s2)C1 ZINC001047448651 730342141 /nfs/dbraw/zinc/34/21/41/730342141.db2.gz UEBWUUAKPKLPRN-STQMWFEESA-N 1 2 292.404 1.061 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCOC2)C1 ZINC001046191299 730348469 /nfs/dbraw/zinc/34/84/69/730348469.db2.gz XNOBXOWQBVCDKK-GXTWGEPZSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCOC2)C1 ZINC001046191299 730348471 /nfs/dbraw/zinc/34/84/71/730348471.db2.gz XNOBXOWQBVCDKK-GXTWGEPZSA-N 1 2 286.803 1.746 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@H]([NH2+]Cc2cnsn2)[C@@H](C)C1 ZINC001054977052 730360099 /nfs/dbraw/zinc/36/00/99/730360099.db2.gz SXHKFGSBOKKYRV-JQWIXIFHSA-N 1 2 294.424 1.687 20 30 CDEDLO NC(Cc1cccnc1)=[NH+]OCC(=O)Nc1ccccc1 ZINC000137633031 730375394 /nfs/dbraw/zinc/37/53/94/730375394.db2.gz DXDFVNYSRJXTHT-UHFFFAOYSA-N 1 2 284.319 1.552 20 30 CDEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCO[C@H](C)C#N ZINC000829660901 730375602 /nfs/dbraw/zinc/37/56/02/730375602.db2.gz IBMXMUHMBYTDIZ-DOMZBBRYSA-N 1 2 287.363 1.088 20 30 CDEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCO[C@H](C)C#N ZINC000829660901 730375604 /nfs/dbraw/zinc/37/56/04/730375604.db2.gz IBMXMUHMBYTDIZ-DOMZBBRYSA-N 1 2 287.363 1.088 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H]2OC)C1 ZINC001043145404 730381385 /nfs/dbraw/zinc/38/13/85/730381385.db2.gz YXHVHKCGBHMGMI-KBPBESRZSA-N 1 2 266.385 1.520 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c(C)cc(=O)oc2C)C1 ZINC001043278400 730397321 /nfs/dbraw/zinc/39/73/21/730397321.db2.gz LZFDOTRJZOKUKZ-UHFFFAOYSA-N 1 2 290.363 1.589 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001046325318 730400502 /nfs/dbraw/zinc/40/05/02/730400502.db2.gz VNEHLPPIJYBULN-YUTCNCBUSA-N 1 2 284.787 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001046325318 730400503 /nfs/dbraw/zinc/40/05/03/730400503.db2.gz VNEHLPPIJYBULN-YUTCNCBUSA-N 1 2 284.787 1.356 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C/C3CC3)C[C@@H]21 ZINC001074200884 730402198 /nfs/dbraw/zinc/40/21/98/730402198.db2.gz BLVCUCPJIVNBRA-DZEZYYDTSA-N 1 2 290.407 1.830 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C/C3CC3)C[C@@H]21 ZINC001074200884 730402199 /nfs/dbraw/zinc/40/21/99/730402199.db2.gz BLVCUCPJIVNBRA-DZEZYYDTSA-N 1 2 290.407 1.830 20 30 CDEDLO C#Cc1cccc(NC(=O)CN(C)Cc2c[nH+]cn2CC)c1 ZINC000841834843 730413893 /nfs/dbraw/zinc/41/38/93/730413893.db2.gz UCYRDYNPWSLBKD-UHFFFAOYSA-N 1 2 296.374 1.955 20 30 CDEDLO COCCS(=O)(=O)CCC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000852320187 730418920 /nfs/dbraw/zinc/41/89/20/730418920.db2.gz XIECLSPLLVBBGS-CYBMUJFWSA-N 1 2 288.413 1.063 20 30 CDEDLO COCCS(=O)(=O)CCC[N@H+]1CCC[C@H](CC#N)C1 ZINC000852320187 730418921 /nfs/dbraw/zinc/41/89/21/730418921.db2.gz XIECLSPLLVBBGS-CYBMUJFWSA-N 1 2 288.413 1.063 20 30 CDEDLO C#CC[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879463861 730419640 /nfs/dbraw/zinc/41/96/40/730419640.db2.gz SNVHDWHSRFDROS-UHFFFAOYSA-N 1 2 260.337 1.459 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H]1COc2cccc(OC)c2C1 ZINC001173169188 912289922 /nfs/dbraw/zinc/28/99/22/912289922.db2.gz YTLBVQKNHAZQGG-ZDUSSCGKSA-N 1 2 255.317 1.567 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(CC)cn2)[C@H]1C ZINC001088984631 912442637 /nfs/dbraw/zinc/44/26/37/912442637.db2.gz LBBVBLLISOVNQB-NEPJUHHUSA-N 1 2 296.802 1.848 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(CC)cn2)[C@H]1C ZINC001088984631 912442648 /nfs/dbraw/zinc/44/26/48/912442648.db2.gz LBBVBLLISOVNQB-NEPJUHHUSA-N 1 2 296.802 1.848 20 30 CDEDLO CCOC(=O)C[C@H]1CC[C@@H]([NH2+][C@@H](CS)C(=O)OC)C1 ZINC001173619392 912651101 /nfs/dbraw/zinc/65/11/01/912651101.db2.gz ARGWPESNOOUSTE-AXFHLTTASA-N 1 2 289.397 1.169 20 30 CDEDLO CC(C)[C@](C)(C#N)[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173735050 912757676 /nfs/dbraw/zinc/75/76/76/912757676.db2.gz QZCVYHZODIBJHI-AVGNSLFASA-N 1 2 262.361 1.685 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccn(CC)c2C)C1 ZINC001030824399 912815872 /nfs/dbraw/zinc/81/58/72/912815872.db2.gz RMFGMDVSXIKDDO-UHFFFAOYSA-N 1 2 261.369 1.807 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNc1cc[nH+]c(C)n1 ZINC001106441834 913930436 /nfs/dbraw/zinc/93/04/36/913930436.db2.gz GCEXFWISGPVZEU-RYUDHWBXSA-N 1 2 290.367 1.130 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCO[C@@H](C(C)C)C2)C1 ZINC001031208008 914017689 /nfs/dbraw/zinc/01/76/89/914017689.db2.gz QSOMGVGCAHMZQN-DZGCQCFKSA-N 1 2 280.412 1.814 20 30 CDEDLO Cc1nc(C#N)c(C#N)nc1NCc1cc[nH+]c(N)c1 ZINC001167616556 897052958 /nfs/dbraw/zinc/05/29/58/897052958.db2.gz BLQWASJDKJHPME-UHFFFAOYSA-N 1 2 265.280 1.118 20 30 CDEDLO C=CCN1CC2(C[NH+](Cc3ccccc3C)C2)OCC1=O ZINC001272639180 914263417 /nfs/dbraw/zinc/26/34/17/914263417.db2.gz SNTPCHCEBOQWSZ-UHFFFAOYSA-N 1 2 286.375 1.594 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C2CC2)CC1 ZINC001235687780 914283221 /nfs/dbraw/zinc/28/32/21/914283221.db2.gz ZTKMIPUWWVXBDR-OAHLLOKOSA-N 1 2 290.407 1.359 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C2CC2)CC1 ZINC001235687780 914283236 /nfs/dbraw/zinc/28/32/36/914283236.db2.gz ZTKMIPUWWVXBDR-OAHLLOKOSA-N 1 2 290.407 1.359 20 30 CDEDLO CC(C)c1noc([C@@H](C)[NH2+]CCN(C)C(=O)[C@@H](C)C#N)n1 ZINC001481215941 899402401 /nfs/dbraw/zinc/40/24/01/899402401.db2.gz PRHJLZJBCHNJCS-WDEREUQCSA-N 1 2 293.371 1.462 20 30 CDEDLO Cc1cnc([C@H](C)[NH2+]CCNC(=O)c2c[nH]c(C#N)c2)o1 ZINC001125988235 900345436 /nfs/dbraw/zinc/34/54/36/900345436.db2.gz QOYRJDGKTICZNI-JTQLQIEISA-N 1 2 287.323 1.263 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@@H]2OCC[N@H+](CCCO)[C@H]2C1 ZINC001177025454 914438537 /nfs/dbraw/zinc/43/85/37/914438537.db2.gz QUJBRGPTLHMNFD-GJZGRUSLSA-N 1 2 296.411 1.027 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@@H]2OCC[N@@H+](CCCO)[C@H]2C1 ZINC001177025454 914438541 /nfs/dbraw/zinc/43/85/41/914438541.db2.gz QUJBRGPTLHMNFD-GJZGRUSLSA-N 1 2 296.411 1.027 20 30 CDEDLO C=CCS(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000711136998 903735864 /nfs/dbraw/zinc/73/58/64/903735864.db2.gz FFMACVWXOGQOBE-UHFFFAOYSA-N 1 2 280.393 1.320 20 30 CDEDLO C[C@H]1C[C@@H]1C(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001270922971 905449818 /nfs/dbraw/zinc/44/98/18/905449818.db2.gz VDEWHLGFPIDYCD-WFASDCNBSA-N 1 2 298.390 1.197 20 30 CDEDLO COCCn1c[nH+]cc1CNC(=O)c1cccc(CC#N)c1 ZINC001188687471 921152138 /nfs/dbraw/zinc/15/21/38/921152138.db2.gz IIPHANBQAPHLDL-UHFFFAOYSA-N 1 2 298.346 1.526 20 30 CDEDLO C=CCCC(=O)NCc1cnn2c1C[N@H+](CCC)CC2 ZINC001128251180 921229316 /nfs/dbraw/zinc/22/93/16/921229316.db2.gz RIVTUIBPEJAOSW-UHFFFAOYSA-N 1 2 276.384 1.691 20 30 CDEDLO C=CCCC(=O)NCc1cnn2c1C[N@@H+](CCC)CC2 ZINC001128251180 921229321 /nfs/dbraw/zinc/22/93/21/921229321.db2.gz RIVTUIBPEJAOSW-UHFFFAOYSA-N 1 2 276.384 1.691 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128454646 921305888 /nfs/dbraw/zinc/30/58/88/921305888.db2.gz XUUUGTZWRUFHHV-UHFFFAOYSA-N 1 2 290.411 1.937 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128454646 921305889 /nfs/dbraw/zinc/30/58/89/921305889.db2.gz XUUUGTZWRUFHHV-UHFFFAOYSA-N 1 2 290.411 1.937 20 30 CDEDLO C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)CCO1 ZINC001168120104 907233672 /nfs/dbraw/zinc/23/36/72/907233672.db2.gz VBIBMFKQCCERAR-ADEWGFFLSA-N 1 2 253.367 1.828 20 30 CDEDLO C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3SC(=O)C=C3C2)CCO1 ZINC001168120104 907233688 /nfs/dbraw/zinc/23/36/88/907233688.db2.gz VBIBMFKQCCERAR-ADEWGFFLSA-N 1 2 253.367 1.828 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C)n(C)n2)C1 ZINC001189280671 921395906 /nfs/dbraw/zinc/39/59/06/921395906.db2.gz WFBHWVBWFWBELO-OAHLLOKOSA-N 1 2 290.411 1.727 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C)n(C)n2)C1 ZINC001189280671 921395919 /nfs/dbraw/zinc/39/59/19/921395919.db2.gz WFBHWVBWFWBELO-OAHLLOKOSA-N 1 2 290.411 1.727 20 30 CDEDLO C[N@H+]1C[C@H]2CN(C(=O)C#CC3CCCCC3)C[C@@H](C1)O2 ZINC001272149452 908636359 /nfs/dbraw/zinc/63/63/59/908636359.db2.gz WPHBEQWAOBQIEY-GASCZTMLSA-N 1 2 276.380 1.112 20 30 CDEDLO C[N@@H+]1C[C@H]2CN(C(=O)C#CC3CCCCC3)C[C@@H](C1)O2 ZINC001272149452 908636365 /nfs/dbraw/zinc/63/63/65/908636365.db2.gz WPHBEQWAOBQIEY-GASCZTMLSA-N 1 2 276.380 1.112 20 30 CDEDLO C=CC(C)(C)C(=O)N(C)CCN(C)c1cc[nH+]c(C)n1 ZINC001105536122 908798456 /nfs/dbraw/zinc/79/84/56/908798456.db2.gz MYPIKNOIXQFTCY-UHFFFAOYSA-N 1 2 276.384 1.892 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1C)c1nccn12 ZINC001092386354 909384054 /nfs/dbraw/zinc/38/40/54/909384054.db2.gz IXZVYOKYTCKRDL-UPJWGTAASA-N 1 2 286.379 1.297 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c(C)nn3cccnc23)C1 ZINC001044308355 921494774 /nfs/dbraw/zinc/49/47/74/921494774.db2.gz FHAWJHMVOZOKEZ-UHFFFAOYSA-N 1 2 299.378 1.370 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2sc(C)cc2C)[C@@H](O)C1 ZINC001083493990 909440547 /nfs/dbraw/zinc/44/05/47/909440547.db2.gz FBSBMNFBXTXCJM-OLZOCXBDSA-N 1 2 292.404 1.163 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2sc(C)cc2C)[C@@H](O)C1 ZINC001083493990 909440556 /nfs/dbraw/zinc/44/05/56/909440556.db2.gz FBSBMNFBXTXCJM-OLZOCXBDSA-N 1 2 292.404 1.163 20 30 CDEDLO C=CCOCC(=O)N1CCC(OC2C[NH+](CC=C)C2)CC1 ZINC001105697218 910539726 /nfs/dbraw/zinc/53/97/26/910539726.db2.gz PIBFLMHMIHXONN-UHFFFAOYSA-N 1 2 294.395 1.067 20 30 CDEDLO C=CCN1CC[C@@]2(CCCN2c2cc[nH+]c(OC)c2)C1=O ZINC001273585757 921599696 /nfs/dbraw/zinc/59/96/96/921599696.db2.gz SXLYAWBVBULXSB-INIZCTEOSA-N 1 2 287.363 1.848 20 30 CDEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1ncc(C(C)C)o1 ZINC001127051782 911202318 /nfs/dbraw/zinc/20/23/18/911202318.db2.gz MVCKIKMHJKBAIG-LBPRGKRZSA-N 1 2 293.367 1.042 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3occc3c2)C1 ZINC001030352912 911702204 /nfs/dbraw/zinc/70/22/04/911702204.db2.gz JCMMJGBRPQTVIT-UHFFFAOYSA-N 1 2 268.316 1.870 20 30 CDEDLO C[C@H](C(=O)N1CCc2cc(C#N)ccc2C1)n1cc[nH+]c1 ZINC001177921695 915037581 /nfs/dbraw/zinc/03/75/81/915037581.db2.gz ADUXZUZZXROYCG-GFCCVEGCSA-N 1 2 280.331 1.901 20 30 CDEDLO CC#CC[NH2+]CCCCCCNC(=O)c1[nH]ncc1F ZINC001179515245 915856838 /nfs/dbraw/zinc/85/68/38/915856838.db2.gz ZLEOYLUQXNYHHC-UHFFFAOYSA-N 1 2 280.347 1.452 20 30 CDEDLO CC#CC(=O)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001179752341 915972768 /nfs/dbraw/zinc/97/27/68/915972768.db2.gz VVUFHZHCLCJPKK-HNNXBMFYSA-N 1 2 254.333 1.451 20 30 CDEDLO CC#CC(=O)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001179752341 915972782 /nfs/dbraw/zinc/97/27/82/915972782.db2.gz VVUFHZHCLCJPKK-HNNXBMFYSA-N 1 2 254.333 1.451 20 30 CDEDLO C#Cc1ccc(NC(=O)[C@H]2C[N@H+](C)CCO2)cc1F ZINC001180761004 916613690 /nfs/dbraw/zinc/61/36/90/916613690.db2.gz SJJJIIVROKZACQ-CYBMUJFWSA-N 1 2 262.284 1.076 20 30 CDEDLO C#Cc1ccc(NC(=O)[C@H]2C[N@@H+](C)CCO2)cc1F ZINC001180761004 916613700 /nfs/dbraw/zinc/61/37/00/916613700.db2.gz SJJJIIVROKZACQ-CYBMUJFWSA-N 1 2 262.284 1.076 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cc2n(n1)CCO2 ZINC001485313656 916793405 /nfs/dbraw/zinc/79/34/05/916793405.db2.gz POEWNYUSTPATSE-SNVBAGLBSA-N 1 2 298.774 1.078 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cc2n(n1)CCO2 ZINC001485313656 916793415 /nfs/dbraw/zinc/79/34/15/916793415.db2.gz POEWNYUSTPATSE-SNVBAGLBSA-N 1 2 298.774 1.078 20 30 CDEDLO C#Cc1ccc(NC(=O)Cc2cc[nH+]c(N)c2)cc1F ZINC001181266432 916954638 /nfs/dbraw/zinc/95/46/38/916954638.db2.gz YZAXOFPSNFRVOQ-UHFFFAOYSA-N 1 2 269.279 1.965 20 30 CDEDLO C#Cc1ccc(CNC(=O)Cc2cc[nH+]c(N)c2)cc1 ZINC001181279163 916958711 /nfs/dbraw/zinc/95/87/11/916958711.db2.gz GDLMWXHECQEYST-UHFFFAOYSA-N 1 2 265.316 1.504 20 30 CDEDLO CCOC(=O)c1noc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)n1 ZINC001254645189 936430193 /nfs/dbraw/zinc/43/01/93/936430193.db2.gz ASMMGINZXZZSHQ-RKDXNWHRSA-N 1 2 264.285 1.028 20 30 CDEDLO C[C@H]1CN(CC#N)CC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000942183984 917533189 /nfs/dbraw/zinc/53/31/89/917533189.db2.gz PPQVSSKDVSRJAQ-WCQYABFASA-N 1 2 297.362 1.527 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cn(C)cn2)C1=O ZINC001272731149 917727745 /nfs/dbraw/zinc/72/77/45/917727745.db2.gz ADKQXAUVMMTVMN-HNNXBMFYSA-N 1 2 274.368 1.173 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cn(C)cn2)C1=O ZINC001272731149 917727759 /nfs/dbraw/zinc/72/77/59/917727759.db2.gz ADKQXAUVMMTVMN-HNNXBMFYSA-N 1 2 274.368 1.173 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cc1 ZINC001032249132 918081802 /nfs/dbraw/zinc/08/18/02/918081802.db2.gz ZOCGIADDNOZZLK-KBPBESRZSA-N 1 2 258.296 1.358 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cc1 ZINC001032249132 918081818 /nfs/dbraw/zinc/08/18/18/918081818.db2.gz 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921847454 /nfs/dbraw/zinc/84/74/54/921847454.db2.gz WSCMEJPSKHFGRE-OAHLLOKOSA-N 1 2 284.400 1.052 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)COC)C1 ZINC001108071817 921847462 /nfs/dbraw/zinc/84/74/62/921847462.db2.gz WSCMEJPSKHFGRE-OAHLLOKOSA-N 1 2 284.400 1.052 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C2CCCCC2)[C@@H](O)C1 ZINC001083845703 921946991 /nfs/dbraw/zinc/94/69/91/921946991.db2.gz OYKQPRYVKBLPFP-CABCVRRESA-N 1 2 292.423 1.387 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C2CCCCC2)[C@@H](O)C1 ZINC001083845703 921947001 /nfs/dbraw/zinc/94/70/01/921947001.db2.gz OYKQPRYVKBLPFP-CABCVRRESA-N 1 2 292.423 1.387 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cnnn2C)C1 ZINC001190428809 922011536 /nfs/dbraw/zinc/01/15/36/922011536.db2.gz QLFFSETYJRNFDK-CYBMUJFWSA-N 1 2 291.399 1.204 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2cnnn2C)C1 ZINC001190428809 922011544 /nfs/dbraw/zinc/01/15/44/922011544.db2.gz QLFFSETYJRNFDK-CYBMUJFWSA-N 1 2 291.399 1.204 20 30 CDEDLO 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/nfs/dbraw/zinc/61/65/12/930616512.db2.gz GKPACDCYNWTYTI-GFCCVEGCSA-N 1 2 255.358 1.853 20 30 CDEDLO C=CC(C)(C)CC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000884649521 930616521 /nfs/dbraw/zinc/61/65/21/930616521.db2.gz GKPACDCYNWTYTI-GFCCVEGCSA-N 1 2 255.358 1.853 20 30 CDEDLO N#CCCc1ccc(S(=O)(=O)NCC[NH+]2CCC2)cc1 ZINC000885068588 930674963 /nfs/dbraw/zinc/67/49/63/930674963.db2.gz ACYFTCJQWFPUFR-UHFFFAOYSA-N 1 2 293.392 1.127 20 30 CDEDLO C=C[C@@H]1C[C@]1(Nc1ccn2cc(N)[nH+]c2c1)C(=O)OCC ZINC001170919804 930754913 /nfs/dbraw/zinc/75/49/13/930754913.db2.gz WSRGPRSBEAMWKS-MEBBXXQBSA-N 1 2 286.335 1.836 20 30 CDEDLO C=CC[N@H+](C[C@@H]1CC[C@H](C2CC2)O1)[C@H]1CCS(=O)(=O)C1 ZINC000886064767 930797801 /nfs/dbraw/zinc/79/78/01/930797801.db2.gz IBWDNGSIROBJIZ-SOUVJXGZSA-N 1 2 299.436 1.619 20 30 CDEDLO C=CC[N@@H+](C[C@@H]1CC[C@H](C2CC2)O1)[C@H]1CCS(=O)(=O)C1 ZINC000886064767 930797808 /nfs/dbraw/zinc/79/78/08/930797808.db2.gz IBWDNGSIROBJIZ-SOUVJXGZSA-N 1 2 299.436 1.619 20 30 CDEDLO Cc1cc(C[N@@H+]2CCCn3nncc3C2)ccc1C#N ZINC000886465073 930886647 /nfs/dbraw/zinc/88/66/47/930886647.db2.gz QMACACXIUPJZID-UHFFFAOYSA-N 1 2 267.336 1.864 20 30 CDEDLO Cc1cc(C[N@H+]2CCCn3nncc3C2)ccc1C#N ZINC000886465073 930886651 /nfs/dbraw/zinc/88/66/51/930886651.db2.gz QMACACXIUPJZID-UHFFFAOYSA-N 1 2 267.336 1.864 20 30 CDEDLO C#CCC1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000886792773 930962318 /nfs/dbraw/zinc/96/23/18/930962318.db2.gz MUSJSXDQGNWBLK-LBPRGKRZSA-N 1 2 257.337 1.508 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@H]1CCc2cccc(F)c2C1 ZINC001170986930 931160252 /nfs/dbraw/zinc/16/02/52/931160252.db2.gz XUVLCROLRPPELX-STQMWFEESA-N 1 2 259.328 1.480 20 30 CDEDLO C#CCSCC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000889539506 931339600 /nfs/dbraw/zinc/33/96/00/931339600.db2.gz ISWNEWAUCUHDCW-KGLIPLIRSA-N 1 2 296.436 1.112 20 30 CDEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1nnc(C)s1 ZINC001274523180 931506311 /nfs/dbraw/zinc/50/63/11/931506311.db2.gz FMRRHHAEKIIIPH-VXGBXAGGSA-N 1 2 292.408 1.598 20 30 CDEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1nnc(C)s1 ZINC001274523180 931506312 /nfs/dbraw/zinc/50/63/12/931506312.db2.gz FMRRHHAEKIIIPH-VXGBXAGGSA-N 1 2 292.408 1.598 20 30 CDEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cnc(C)[nH]1)CC2 ZINC001274575349 931510105 /nfs/dbraw/zinc/51/01/05/931510105.db2.gz DPMZULYCZZRZNZ-AWEZNQCLSA-N 1 2 288.395 1.622 20 30 CDEDLO C=C(C)CONC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000844285666 931572767 /nfs/dbraw/zinc/57/27/67/931572767.db2.gz HQWFNRHRTJOVIO-UHFFFAOYSA-N 1 2 278.356 1.569 20 30 CDEDLO Cc1noc(C[N@H+](C)C[C@@H](O)c2ccc(C#N)cc2)n1 ZINC000844360018 931589600 /nfs/dbraw/zinc/58/96/00/931589600.db2.gz DPVOQWCDRXSQEB-CYBMUJFWSA-N 1 2 272.308 1.415 20 30 CDEDLO Cc1noc(C[N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)n1 ZINC000844360018 931589605 /nfs/dbraw/zinc/58/96/05/931589605.db2.gz DPVOQWCDRXSQEB-CYBMUJFWSA-N 1 2 272.308 1.415 20 30 CDEDLO O=C(CCS)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001143979496 931616532 /nfs/dbraw/zinc/61/65/32/931616532.db2.gz XADUYXAORDFGFN-UHFFFAOYSA-N 1 2 294.420 1.530 20 30 CDEDLO N#Cc1cncc(C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)c1 ZINC001144083859 931652778 /nfs/dbraw/zinc/65/27/78/931652778.db2.gz TVMRLEHNZYTAIE-AWEZNQCLSA-N 1 2 272.308 1.028 20 30 CDEDLO N#Cc1cncc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c1 ZINC001144083859 931652781 /nfs/dbraw/zinc/65/27/81/931652781.db2.gz TVMRLEHNZYTAIE-AWEZNQCLSA-N 1 2 272.308 1.028 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(O)cn3)CC2)cc1 ZINC001144259352 931720797 /nfs/dbraw/zinc/72/07/97/931720797.db2.gz PAWZUMCUFNIUQI-UHFFFAOYSA-N 1 2 294.358 1.981 20 30 CDEDLO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCN(C#N)CC1 ZINC001171234054 932073440 /nfs/dbraw/zinc/07/34/40/932073440.db2.gz JFPDZIPYAHNDKO-ZDUSSCGKSA-N 1 2 254.337 1.588 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)COC2CCCC2)CC1 ZINC001146762740 932293930 /nfs/dbraw/zinc/29/39/30/932293930.db2.gz YEZYTDZFLXFRGP-UHFFFAOYSA-N 1 2 252.358 1.276 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2nc(C)c(C)o2)nc1 ZINC001148370027 932700985 /nfs/dbraw/zinc/70/09/85/932700985.db2.gz FNBGPVAGUSXLPW-UHFFFAOYSA-N 1 2 298.346 1.187 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]c3cc(=O)ccc-3c2)CC1 ZINC001155163313 937643421 /nfs/dbraw/zinc/64/34/21/937643421.db2.gz ZALLBEPHTDCATG-UHFFFAOYSA-N 1 2 297.358 1.884 20 30 CDEDLO Cc1cc(Cl)nc(NC[C@H]2C[N@H+](C)CCO2)c1C#N ZINC001155194552 937647392 /nfs/dbraw/zinc/64/73/92/937647392.db2.gz TXSNZYPFUOJZCL-JTQLQIEISA-N 1 2 280.759 1.658 20 30 CDEDLO Cc1cc(Cl)nc(NC[C@H]2C[N@@H+](C)CCO2)c1C#N ZINC001155194552 937647394 /nfs/dbraw/zinc/64/73/94/937647394.db2.gz TXSNZYPFUOJZCL-JTQLQIEISA-N 1 2 280.759 1.658 20 30 CDEDLO C=CCN(CC[N@@H+]1CCC(F)(F)[C@H](N)C1)C(=O)OCC ZINC001206657527 937659952 /nfs/dbraw/zinc/65/99/52/937659952.db2.gz RUNXOYRVRWKTQU-LLVKDONJSA-N 1 2 291.342 1.299 20 30 CDEDLO C=CCN(CC[N@H+]1CCC(F)(F)[C@H](N)C1)C(=O)OCC ZINC001206657527 937659953 /nfs/dbraw/zinc/65/99/53/937659953.db2.gz RUNXOYRVRWKTQU-LLVKDONJSA-N 1 2 291.342 1.299 20 30 CDEDLO Cc1nc2c(c(=O)[nH]1)C[N@H+](CCOc1ccc(C#N)cc1)C2 ZINC000931319970 933541482 /nfs/dbraw/zinc/54/14/82/933541482.db2.gz CZSHYTDYZSMVQD-UHFFFAOYSA-N 1 2 296.330 1.757 20 30 CDEDLO Cc1nc2c(c(=O)[nH]1)C[N@@H+](CCOc1ccc(C#N)cc1)C2 ZINC000931319970 933541490 /nfs/dbraw/zinc/54/14/90/933541490.db2.gz CZSHYTDYZSMVQD-UHFFFAOYSA-N 1 2 296.330 1.757 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CC[C@H](C)[C@H](C)C2)c1=S ZINC000245785904 934800531 /nfs/dbraw/zinc/80/05/31/934800531.db2.gz VXZGPLBCVLDFKO-WDEREUQCSA-N 1 2 267.402 1.930 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CC[C@H](C)[C@H](C)C2)c1=S ZINC000245785904 934800533 /nfs/dbraw/zinc/80/05/33/934800533.db2.gz VXZGPLBCVLDFKO-WDEREUQCSA-N 1 2 267.402 1.930 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](CCc2csc(C)n2)CC1 ZINC001412988650 935145941 /nfs/dbraw/zinc/14/59/41/935145941.db2.gz BTUABKXOUNJIEP-UHFFFAOYSA-N 1 2 293.392 1.773 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(COC)cc1 ZINC001018255448 935663068 /nfs/dbraw/zinc/66/30/68/935663068.db2.gz FZHDVVGZOPHCRP-CALCHBBNSA-N 1 2 298.386 1.755 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(COC)cc1 ZINC001018255448 935663072 /nfs/dbraw/zinc/66/30/72/935663072.db2.gz FZHDVVGZOPHCRP-CALCHBBNSA-N 1 2 298.386 1.755 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1occ2c1CCOC2 ZINC001038557715 935749549 /nfs/dbraw/zinc/74/95/49/935749549.db2.gz GBQHXEDNVGVVOV-GFCCVEGCSA-N 1 2 276.336 1.342 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1occ2c1CCOC2 ZINC001038557715 935749552 /nfs/dbraw/zinc/74/95/52/935749552.db2.gz GBQHXEDNVGVVOV-GFCCVEGCSA-N 1 2 276.336 1.342 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2nccc3cccnc32)C1 ZINC001042954545 935832194 /nfs/dbraw/zinc/83/21/94/935832194.db2.gz GNAUPTFAUUEOOZ-UHFFFAOYSA-N 1 2 294.358 1.409 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCc3ccccc3O2)C1 ZINC001044068654 935849752 /nfs/dbraw/zinc/84/97/52/935849752.db2.gz CKSAOYCINKUHSC-KRWDZBQOSA-N 1 2 298.386 1.546 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccc(OCC)cc2)C1 ZINC001044263301 935856547 /nfs/dbraw/zinc/85/65/47/935856547.db2.gz KVPYKJPDMLCHMM-UHFFFAOYSA-N 1 2 288.391 1.956 20 30 CDEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@@](CCC)(C2CC2)C1=O ZINC000802738508 936059761 /nfs/dbraw/zinc/05/97/61/936059761.db2.gz SGIODWPWTUGUOS-HNNXBMFYSA-N 1 2 279.384 1.953 20 30 CDEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@@](CCC)(C2CC2)C1=O ZINC000802738508 936059764 /nfs/dbraw/zinc/05/97/64/936059764.db2.gz SGIODWPWTUGUOS-HNNXBMFYSA-N 1 2 279.384 1.953 20 30 CDEDLO C=CCCOCC(=O)OCCc1cn2c([nH+]1)CCCC2 ZINC001123036348 936106208 /nfs/dbraw/zinc/10/62/08/936106208.db2.gz POILERANQYOMKS-UHFFFAOYSA-N 1 2 278.352 1.898 20 30 CDEDLO C#CCCCC(=O)N1C[C@@H](Nc2cc[nH+]c(C)n2)C[C@@H]1C ZINC001123224991 936128062 /nfs/dbraw/zinc/12/80/62/936128062.db2.gz UUCYIDAFYKVZNB-JSGCOSHPSA-N 1 2 286.379 1.990 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ncccn1 ZINC001049384929 936142098 /nfs/dbraw/zinc/14/20/98/936142098.db2.gz YQLSJQQUTBBBOX-MCIONIFRSA-N 1 2 299.378 1.202 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ncccn1 ZINC001049384929 936142102 /nfs/dbraw/zinc/14/21/02/936142102.db2.gz YQLSJQQUTBBBOX-MCIONIFRSA-N 1 2 299.378 1.202 20 30 CDEDLO C=CCCC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097149378 936272109 /nfs/dbraw/zinc/27/21/09/936272109.db2.gz TVHQNINSVNLWCJ-TXEJJXNPSA-N 1 2 260.341 1.810 20 30 CDEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)OC ZINC001121519014 937874609 /nfs/dbraw/zinc/87/46/09/937874609.db2.gz DAKYGSNOUPFQNH-UHFFFAOYSA-N 1 2 265.361 1.448 20 30 CDEDLO COc1cc(C[N@@H+]2CCN(C(C)=O)[C@H](C)C2)ccc1C#N ZINC001238413030 945173118 /nfs/dbraw/zinc/17/31/18/945173118.db2.gz LNZWDIPRQNHWHI-GFCCVEGCSA-N 1 2 287.363 1.619 20 30 CDEDLO COc1cc(C[N@H+]2CCN(C(C)=O)[C@H](C)C2)ccc1C#N ZINC001238413030 945173121 /nfs/dbraw/zinc/17/31/21/945173121.db2.gz LNZWDIPRQNHWHI-GFCCVEGCSA-N 1 2 287.363 1.619 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1nnc(Cl)cc1C#N ZINC001157459996 938495766 /nfs/dbraw/zinc/49/57/66/938495766.db2.gz PXHQGLUZHAGXMX-UHFFFAOYSA-N 1 2 276.731 1.725 20 30 CDEDLO N#Cc1cccc(C(=O)N2CCC[C@](F)(C[NH3+])CC2)c1O ZINC001157765996 938542800 /nfs/dbraw/zinc/54/28/00/938542800.db2.gz YMMNQLXGZYGONQ-OAHLLOKOSA-N 1 2 291.326 1.557 20 30 CDEDLO CCOC(=O)c1noc(CNc2cc(CC#N)cc[nH+]2)n1 ZINC001160064031 938766693 /nfs/dbraw/zinc/76/66/93/938766693.db2.gz WUNNLGRACCPAJN-UHFFFAOYSA-N 1 2 287.279 1.319 20 30 CDEDLO N#CCc1cc[nH+]c(NCCc2cnc(N)s2)c1 ZINC001160379403 938783211 /nfs/dbraw/zinc/78/32/11/938783211.db2.gz ZVGYSBWENNBUBO-UHFFFAOYSA-N 1 2 259.338 1.841 20 30 CDEDLO COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1ccc(C#N)c(C)n1 ZINC001160697736 938815748 /nfs/dbraw/zinc/81/57/48/938815748.db2.gz ZJZJYOCWSGDYSW-CYBMUJFWSA-N 1 2 299.334 1.191 20 30 CDEDLO C#CCCC1(CCNc2[nH+]ccc(C)c2C(N)=O)N=N1 ZINC001163379929 939258974 /nfs/dbraw/zinc/25/89/74/939258974.db2.gz JVGFHIZPSJIYFL-UHFFFAOYSA-N 1 2 271.324 1.866 20 30 CDEDLO CCOC(=O)c1c[nH]c2cc(N3CC(C#N)C3)[nH+]cc21 ZINC001163694793 939310087 /nfs/dbraw/zinc/31/00/87/939310087.db2.gz URMBCBYTUJMUEI-UHFFFAOYSA-N 1 2 270.292 1.699 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2cc(Cl)ccc2CC#N)C[NH2+]1 ZINC001164312344 939451710 /nfs/dbraw/zinc/45/17/10/939451710.db2.gz PLTRBNSIGSUNQJ-AAEUAGOBSA-N 1 2 293.754 1.721 20 30 CDEDLO C=CC[NH2+]CC1(CCNC(=O)C(F)C(F)(F)F)CC1 ZINC001164597163 939497257 /nfs/dbraw/zinc/49/72/57/939497257.db2.gz XPBIDJCQZLRUHE-SECBINFHSA-N 1 2 282.281 1.949 20 30 CDEDLO C=CC[NH2+]CC1(CCNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001164597163 939497259 /nfs/dbraw/zinc/49/72/59/939497259.db2.gz XPBIDJCQZLRUHE-SECBINFHSA-N 1 2 282.281 1.949 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001164642079 939501277 /nfs/dbraw/zinc/50/12/77/939501277.db2.gz RYQFCRRLAFYKDA-GFCCVEGCSA-N 1 2 283.291 1.445 20 30 CDEDLO Cc1cc(Cl)c(C)nc1N1CC[NH2+]C[C@H]1C#N ZINC001164652112 939501648 /nfs/dbraw/zinc/50/16/48/939501648.db2.gz NZXSTMQXAJUXGY-SNVBAGLBSA-N 1 2 250.733 1.654 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1c1cc2nc(Cl)cnc2cc1F ZINC001164660785 939503026 /nfs/dbraw/zinc/50/30/26/939503026.db2.gz IRROXUBDRMQAFQ-MRVPVSSYSA-N 1 2 291.717 1.724 20 30 CDEDLO CC1(C)C[N@@H+](C2CN(c3cc(CC#N)ccn3)C2)CCO1 ZINC001165130668 939515535 /nfs/dbraw/zinc/51/55/35/939515535.db2.gz HPTLBISJHWCGNG-UHFFFAOYSA-N 1 2 286.379 1.447 20 30 CDEDLO CC1(C)C[N@H+](C2CN(c3cc(CC#N)ccn3)C2)CCO1 ZINC001165130668 939515537 /nfs/dbraw/zinc/51/55/37/939515537.db2.gz HPTLBISJHWCGNG-UHFFFAOYSA-N 1 2 286.379 1.447 20 30 CDEDLO CC(=O)N1CC[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1C ZINC001203764367 939703181 /nfs/dbraw/zinc/70/31/81/939703181.db2.gz NBXZFYUDDXBZEW-LBPRGKRZSA-N 1 2 257.337 1.611 20 30 CDEDLO CC(=O)N1CC[N@H+](Cc2cccc(C#N)c2)C[C@@H]1C ZINC001203764367 939703182 /nfs/dbraw/zinc/70/31/82/939703182.db2.gz NBXZFYUDDXBZEW-LBPRGKRZSA-N 1 2 257.337 1.611 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC(=O)N3CCC[C@H]3C2)cc1 ZINC001203905310 939712928 /nfs/dbraw/zinc/71/29/28/939712928.db2.gz IHAZARITTMROBG-AWEZNQCLSA-N 1 2 255.321 1.365 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC(=O)N3CCC[C@H]3C2)cc1 ZINC001203905310 939712931 /nfs/dbraw/zinc/71/29/31/939712931.db2.gz IHAZARITTMROBG-AWEZNQCLSA-N 1 2 255.321 1.365 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1-c1ccc(C#N)c(F)c1 ZINC001204027981 939723033 /nfs/dbraw/zinc/72/30/33/939723033.db2.gz GORKTDVAGNABJY-UHFFFAOYSA-N 1 2 274.255 1.642 20 30 CDEDLO Cc1[nH+]c[nH]c1CN1CC(Oc2ccccc2C#N)C1 ZINC001204603584 939781658 /nfs/dbraw/zinc/78/16/58/939781658.db2.gz RIYDKGYCHJDGGU-UHFFFAOYSA-N 1 2 268.320 1.853 20 30 CDEDLO CC[C@@H]1OC(C)=C(OCCCN2CC[NH+](C)CC2)C1=O ZINC001206589312 940066413 /nfs/dbraw/zinc/06/64/13/940066413.db2.gz DTUHYVKRMOJOAB-ZDUSSCGKSA-N 1 2 282.384 1.250 20 30 CDEDLO Cc1ccnc(C[NH+]2CCN(c3nccnc3C#N)CC2)c1 ZINC001206853011 940101906 /nfs/dbraw/zinc/10/19/06/940101906.db2.gz LYLZTLYFQQWRFG-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO O=C1C=C2C[N@@H+](Cc3cccc(=O)[nH]3)CC[C@@H]2S1 ZINC001207066207 940140983 /nfs/dbraw/zinc/14/09/83/940140983.db2.gz JAYKDEIUTTYELU-NSHDSACASA-N 1 2 262.334 1.561 20 30 CDEDLO O=C1C=C2C[N@H+](Cc3cccc(=O)[nH]3)CC[C@@H]2S1 ZINC001207066207 940140985 /nfs/dbraw/zinc/14/09/85/940140985.db2.gz JAYKDEIUTTYELU-NSHDSACASA-N 1 2 262.334 1.561 20 30 CDEDLO C=CCCCCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)OCC ZINC001209427558 940588973 /nfs/dbraw/zinc/58/89/73/940588973.db2.gz SOIGOYJCUUXTLN-ZDUSSCGKSA-N 1 2 282.384 1.486 20 30 CDEDLO C=CCCCCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)OCC ZINC001209427558 940588976 /nfs/dbraw/zinc/58/89/76/940588976.db2.gz SOIGOYJCUUXTLN-ZDUSSCGKSA-N 1 2 282.384 1.486 20 30 CDEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](F)CC)C[C@@H]2O)CC1 ZINC001220290387 941432923 /nfs/dbraw/zinc/43/29/23/941432923.db2.gz XKJRNSWFRJCWMH-MJBXVCDLSA-N 1 2 298.402 1.642 20 30 CDEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](F)CC)C[C@@H]2O)CC1 ZINC001220290387 941432925 /nfs/dbraw/zinc/43/29/25/941432925.db2.gz XKJRNSWFRJCWMH-MJBXVCDLSA-N 1 2 298.402 1.642 20 30 CDEDLO Cn1cc(C[N@@H+]2CCC23CN(c2cccnc2)C3)cc1C#N ZINC001276984667 941775867 /nfs/dbraw/zinc/77/58/67/941775867.db2.gz OKQUFIFVSYLLIJ-UHFFFAOYSA-N 1 2 293.374 1.756 20 30 CDEDLO Cn1cc(C[N@H+]2CCC23CN(c2cccnc2)C3)cc1C#N ZINC001276984667 941775868 /nfs/dbraw/zinc/77/58/68/941775868.db2.gz OKQUFIFVSYLLIJ-UHFFFAOYSA-N 1 2 293.374 1.756 20 30 CDEDLO Cc1c(C#N)ccc(OC[C@H]2C[N@H+](C)CCO2)c1C ZINC001225513714 941870891 /nfs/dbraw/zinc/87/08/91/941870891.db2.gz RTLZMYQLEJSCFD-CQSZACIVSA-N 1 2 260.337 1.885 20 30 CDEDLO Cc1c(C#N)ccc(OC[C@H]2C[N@@H+](C)CCO2)c1C ZINC001225513714 941870893 /nfs/dbraw/zinc/87/08/93/941870893.db2.gz RTLZMYQLEJSCFD-CQSZACIVSA-N 1 2 260.337 1.885 20 30 CDEDLO C#CCCCC(=O)NC1CC[NH+](Cc2ncc(C)o2)CC1 ZINC001227084939 942129430 /nfs/dbraw/zinc/12/94/30/942129430.db2.gz PXOOAZJPIOTFKG-UHFFFAOYSA-N 1 2 289.379 1.867 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cc[nH+]c(NC)c1 ZINC001230272369 942599959 /nfs/dbraw/zinc/59/99/59/942599959.db2.gz UQWXUKBJIQBVLX-STQMWFEESA-N 1 2 290.367 1.514 20 30 CDEDLO COCC[C@](C)(C#N)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001332539428 942643466 /nfs/dbraw/zinc/64/34/66/942643466.db2.gz XYMBOHPNXQWSCZ-DGCLKSJQSA-N 1 2 264.329 1.269 20 30 CDEDLO N#Cc1cncc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c1 ZINC000721554802 942644239 /nfs/dbraw/zinc/64/42/39/942644239.db2.gz DFGSWZILWXMPNO-UHFFFAOYSA-N 1 2 285.269 1.842 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Oc1cc(F)ccc1C#N ZINC001230636881 942663619 /nfs/dbraw/zinc/66/36/19/942663619.db2.gz QRWJQSCXIZNXBY-NSHDSACASA-N 1 2 264.300 1.797 20 30 CDEDLO N#Cc1cncc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000721567480 942747309 /nfs/dbraw/zinc/74/73/09/942747309.db2.gz YBGYQSFYWKUPIL-GFCCVEGCSA-N 1 2 267.279 1.403 20 30 CDEDLO N#Cc1cncc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000721567480 942747312 /nfs/dbraw/zinc/74/73/12/942747312.db2.gz YBGYQSFYWKUPIL-GFCCVEGCSA-N 1 2 267.279 1.403 20 30 CDEDLO N#Cc1ccc(O)c(C[NH+]2CCN(c3cccnc3)CC2)c1 ZINC001232673178 943354127 /nfs/dbraw/zinc/35/41/27/943354127.db2.gz BOGSYVAXOKYYNE-UHFFFAOYSA-N 1 2 294.358 1.981 20 30 CDEDLO COc1cc(O)cc(C[NH+]2CCN(CCC#N)CC2)c1 ZINC001232803484 943401579 /nfs/dbraw/zinc/40/15/79/943401579.db2.gz MNOZJLHGSKTHEX-UHFFFAOYSA-N 1 2 275.352 1.432 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(OC(F)F)nc2)CC1 ZINC001232958183 943446497 /nfs/dbraw/zinc/44/64/97/943446497.db2.gz SXZPSQBEUZDBQA-UHFFFAOYSA-N 1 2 281.306 1.434 20 30 CDEDLO CCC(=O)N(C)C1CC[NH+](Cc2[nH]ccc2C#N)CC1 ZINC001233048466 943475654 /nfs/dbraw/zinc/47/56/54/943475654.db2.gz FCQFGUSBXQAINU-UHFFFAOYSA-N 1 2 274.368 1.719 20 30 CDEDLO C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(C#N)cc3[O-])C2)C1 ZINC001233386944 943574040 /nfs/dbraw/zinc/57/40/40/943574040.db2.gz OISHBUJCBHZEQA-INIZCTEOSA-N 1 2 271.364 1.791 20 30 CDEDLO C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(C#N)cc3[O-])C2)C1 ZINC001233386944 943574044 /nfs/dbraw/zinc/57/40/44/943574044.db2.gz OISHBUJCBHZEQA-INIZCTEOSA-N 1 2 271.364 1.791 20 30 CDEDLO C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(C#N)cc3[O-])C2)C1 ZINC001233386944 943574049 /nfs/dbraw/zinc/57/40/49/943574049.db2.gz OISHBUJCBHZEQA-INIZCTEOSA-N 1 2 271.364 1.791 20 30 CDEDLO C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(C#N)cc3[O-])C2)C1 ZINC001233386944 943574056 /nfs/dbraw/zinc/57/40/56/943574056.db2.gz OISHBUJCBHZEQA-INIZCTEOSA-N 1 2 271.364 1.791 20 30 CDEDLO C=CCOCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001233489734 943597860 /nfs/dbraw/zinc/59/78/60/943597860.db2.gz MTHFUHUCZISFDR-ZDUSSCGKSA-N 1 2 272.364 1.471 20 30 CDEDLO C=CCOCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001233489734 943597864 /nfs/dbraw/zinc/59/78/64/943597864.db2.gz MTHFUHUCZISFDR-ZDUSSCGKSA-N 1 2 272.364 1.471 20 30 CDEDLO CC1(C#N)CC[NH+](Cc2ccc3c(n2)OCCO3)CC1 ZINC001233885830 943682026 /nfs/dbraw/zinc/68/20/26/943682026.db2.gz PYEPINSEXJSQBZ-UHFFFAOYSA-N 1 2 273.336 1.978 20 30 CDEDLO CC(=O)Nc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)nc1 ZINC001234648561 943926060 /nfs/dbraw/zinc/92/60/60/943926060.db2.gz FEURWDAXCIZCBF-KYFMZXIUSA-N 1 2 289.335 1.031 20 30 CDEDLO CC(=O)Nc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)nc1 ZINC001234648561 943926061 /nfs/dbraw/zinc/92/60/61/943926061.db2.gz FEURWDAXCIZCBF-KYFMZXIUSA-N 1 2 289.335 1.031 20 30 CDEDLO C=CCN(C(=O)CCc1[nH+]ccn1C)[C@H](C)COC ZINC001263860798 944009119 /nfs/dbraw/zinc/00/91/19/944009119.db2.gz HTTQIWOYGSGZIM-GFCCVEGCSA-N 1 2 265.357 1.402 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCCC[C@H]2C(=O)N2CCCC2)ccn1 ZINC001237469634 944800480 /nfs/dbraw/zinc/80/04/80/944800480.db2.gz CEHBIYKQEGIPSA-INIZCTEOSA-N 1 2 298.390 1.930 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)ccn1 ZINC001237469634 944800483 /nfs/dbraw/zinc/80/04/83/944800483.db2.gz CEHBIYKQEGIPSA-INIZCTEOSA-N 1 2 298.390 1.930 20 30 CDEDLO C#CC[NH+]1CCN(Cc2[nH]c(-c3ccc[nH]3)cc2OC)CC1 ZINC001237882980 944993614 /nfs/dbraw/zinc/99/36/14/944993614.db2.gz RIALTXGZDXRJPL-UHFFFAOYSA-N 1 2 298.390 1.769 20 30 CDEDLO O=C1C=C2C[N@H+](C3CCC4(CC3)OCCO4)CC[C@@H]2S1 ZINC001255627713 948044484 /nfs/dbraw/zinc/04/44/84/948044484.db2.gz XXESUWCBELQKGY-ZDUSSCGKSA-N 1 2 295.404 1.946 20 30 CDEDLO O=C1C=C2C[N@@H+](C3CCC4(CC3)OCCO4)CC[C@@H]2S1 ZINC001255627713 948044492 /nfs/dbraw/zinc/04/44/92/948044492.db2.gz XXESUWCBELQKGY-ZDUSSCGKSA-N 1 2 295.404 1.946 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+]C1CCC(C#N)CC1 ZINC001256950797 948461348 /nfs/dbraw/zinc/46/13/48/948461348.db2.gz NJSMFOCSGGXKNJ-ILDUYXDCSA-N 1 2 256.371 1.520 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)COC)[C@@H]1C ZINC001278495843 948871862 /nfs/dbraw/zinc/87/18/62/948871862.db2.gz WGNCQGODIHZRCL-WDEREUQCSA-N 1 2 260.765 1.354 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)COC)[C@@H]1C ZINC001278495843 948871876 /nfs/dbraw/zinc/87/18/76/948871876.db2.gz WGNCQGODIHZRCL-WDEREUQCSA-N 1 2 260.765 1.354 20 30 CDEDLO CCCCCCCNC(=S)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC001249632728 949720813 /nfs/dbraw/zinc/72/08/13/949720813.db2.gz IINBSKCCGVJRAL-KGLIPLIRSA-N 1 2 299.484 1.846 20 30 CDEDLO CCCCCCCNC(=S)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC001249632728 949720832 /nfs/dbraw/zinc/72/08/32/949720832.db2.gz IINBSKCCGVJRAL-KGLIPLIRSA-N 1 2 299.484 1.846 20 30 CDEDLO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC001249693954 949758698 /nfs/dbraw/zinc/75/86/98/949758698.db2.gz RXMAVXHEWCDWNU-ZDUSSCGKSA-N 1 2 275.327 1.798 20 30 CDEDLO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1F ZINC001249693954 949758714 /nfs/dbraw/zinc/75/87/14/949758714.db2.gz RXMAVXHEWCDWNU-ZDUSSCGKSA-N 1 2 275.327 1.798 20 30 CDEDLO C=CCOC[C@@H](O)C[N@@H+]1CCc2ncc(Cl)cc2C1 ZINC001252473104 951327471 /nfs/dbraw/zinc/32/74/71/951327471.db2.gz GZSCELLLPHPDQQ-ZDUSSCGKSA-N 1 2 282.771 1.657 20 30 CDEDLO C=CCOC[C@@H](O)C[N@H+]1CCc2ncc(Cl)cc2C1 ZINC001252473104 951327481 /nfs/dbraw/zinc/32/74/81/951327481.db2.gz GZSCELLLPHPDQQ-ZDUSSCGKSA-N 1 2 282.771 1.657 20 30 CDEDLO COc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C#N)C1 ZINC001252889581 951698527 /nfs/dbraw/zinc/69/85/27/951698527.db2.gz ZRUWPZISKRVINN-ZIAGYGMSSA-N 1 2 290.363 1.670 20 30 CDEDLO COc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](C#N)C1 ZINC001252889581 951698530 /nfs/dbraw/zinc/69/85/30/951698530.db2.gz ZRUWPZISKRVINN-ZIAGYGMSSA-N 1 2 290.363 1.670 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cncnc1C ZINC001480844387 971911125 /nfs/dbraw/zinc/91/11/25/971911125.db2.gz OEQBFZLZTKFCSJ-UHFFFAOYSA-N 1 2 268.748 1.199 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cncnc1C ZINC001480844387 971911130 /nfs/dbraw/zinc/91/11/30/971911130.db2.gz OEQBFZLZTKFCSJ-UHFFFAOYSA-N 1 2 268.748 1.199 20 30 CDEDLO C=CCN(C(=O)[C@@H](C)n1cc[nH+]c1)[C@@H](C)COC ZINC001328392679 955283027 /nfs/dbraw/zinc/28/30/27/955283027.db2.gz YUNJFAIODLOZLY-NWDGAFQWSA-N 1 2 251.330 1.494 20 30 CDEDLO CCOC(=O)C[N@H+](C[C@@H](O)c1cccc(C#N)c1)C(C)C ZINC001365269020 955797130 /nfs/dbraw/zinc/79/71/30/955797130.db2.gz OAVDJLBUIHUKTG-OAHLLOKOSA-N 1 2 290.363 1.865 20 30 CDEDLO CCOC(=O)C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)C(C)C ZINC001365269020 955797150 /nfs/dbraw/zinc/79/71/50/955797150.db2.gz OAVDJLBUIHUKTG-OAHLLOKOSA-N 1 2 290.363 1.865 20 30 CDEDLO C#CCN(CC1CC1)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001330048909 956250819 /nfs/dbraw/zinc/25/08/19/956250819.db2.gz MGSNWETWILPSIW-GFCCVEGCSA-N 1 2 260.341 1.326 20 30 CDEDLO C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C(=O)[O-])nn2C)CC1 ZINC001330828043 956653588 /nfs/dbraw/zinc/65/35/88/956653588.db2.gz ZLKAIHGFQMMOFB-UHFFFAOYSA-N 1 2 292.383 1.248 20 30 CDEDLO CO[C@@H](C)C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001366958598 957302043 /nfs/dbraw/zinc/30/20/43/957302043.db2.gz UMWMYCPMUKSMCK-LBPRGKRZSA-N 1 2 287.363 1.141 20 30 CDEDLO Cc1cc(C#N)cc(NC(=O)CCCn2cc[nH+]c2)n1 ZINC001332469979 957576221 /nfs/dbraw/zinc/57/62/21/957576221.db2.gz LNGRZALKDAWEIF-UHFFFAOYSA-N 1 2 269.308 1.877 20 30 CDEDLO CC(C)NC(=S)NN=C1CCN(c2cccc[nH+]2)CC1 ZINC001317877393 957708288 /nfs/dbraw/zinc/70/82/88/957708288.db2.gz LIBVMEHPPLPDGT-UHFFFAOYSA-N 1 2 291.424 1.910 20 30 CDEDLO C#CCN(C(=O)C(=O)NCc1c[nH+]c(C)cc1C)C(C)C ZINC001333083975 958064186 /nfs/dbraw/zinc/06/41/86/958064186.db2.gz SSVARRGTLAEJBF-UHFFFAOYSA-N 1 2 287.363 1.185 20 30 CDEDLO C=CCn1cnn(C[N@H+]2CC[C@@H](COC)C2)c1=S ZINC001318650989 958212519 /nfs/dbraw/zinc/21/25/19/958212519.db2.gz MGMYRGQOAUSYGH-LLVKDONJSA-N 1 2 268.386 1.526 20 30 CDEDLO C=CCn1cnn(C[N@@H+]2CC[C@@H](COC)C2)c1=S ZINC001318650989 958212526 /nfs/dbraw/zinc/21/25/26/958212526.db2.gz MGMYRGQOAUSYGH-LLVKDONJSA-N 1 2 268.386 1.526 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1nc(-c2ccsc2)no1 ZINC001319773468 958722205 /nfs/dbraw/zinc/72/22/05/958722205.db2.gz FULUARFNINAZTR-UHFFFAOYSA-N 1 2 277.349 1.880 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1nc(-c2ccsc2)no1 ZINC001319773468 958722213 /nfs/dbraw/zinc/72/22/13/958722213.db2.gz FULUARFNINAZTR-UHFFFAOYSA-N 1 2 277.349 1.880 20 30 CDEDLO CC#CCN(C)c1nnnn1Cc1cc(C)[nH+]c(C)c1 ZINC001334918589 959456009 /nfs/dbraw/zinc/45/60/09/959456009.db2.gz DDSYWIOQSYGHPQ-UHFFFAOYSA-N 1 2 270.340 1.193 20 30 CDEDLO CCc1[nH]c(CNC(=O)c2cc(C#N)ccc2F)c[nH+]1 ZINC001434380921 961245996 /nfs/dbraw/zinc/24/59/96/961245996.db2.gz ZNBWADZXODFXEV-UHFFFAOYSA-N 1 2 272.283 1.913 20 30 CDEDLO CCc1[nH]cc(CNC(=O)c2cc(C#N)ccc2F)[nH+]1 ZINC001434380921 961246010 /nfs/dbraw/zinc/24/60/10/961246010.db2.gz ZNBWADZXODFXEV-UHFFFAOYSA-N 1 2 272.283 1.913 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnc2n[nH]cc2c1 ZINC001420245405 962621146 /nfs/dbraw/zinc/62/11/46/962621146.db2.gz BNBCAVDKEVDHDE-UHFFFAOYSA-N 1 2 293.758 1.372 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnc2n[nH]cc2c1 ZINC001420245405 962621160 /nfs/dbraw/zinc/62/11/60/962621160.db2.gz BNBCAVDKEVDHDE-UHFFFAOYSA-N 1 2 293.758 1.372 20 30 CDEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC=CCC1 ZINC001343314395 963949483 /nfs/dbraw/zinc/94/94/83/963949483.db2.gz DGJVOTMTXQUSCC-UHFFFAOYSA-N 1 2 298.394 1.945 20 30 CDEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(C)=O ZINC001440732176 964148846 /nfs/dbraw/zinc/14/88/46/964148846.db2.gz SIXSSAMLHDTNRZ-NSHDSACASA-N 1 2 275.190 1.838 20 30 CDEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(C)=O ZINC001440732176 964148851 /nfs/dbraw/zinc/14/88/51/964148851.db2.gz SIXSSAMLHDTNRZ-NSHDSACASA-N 1 2 275.190 1.838 20 30 CDEDLO C=C(Cl)CN(C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001442527618 965105254 /nfs/dbraw/zinc/10/52/54/965105254.db2.gz ANZBTZYIERPWPB-LBPRGKRZSA-N 1 2 284.791 1.635 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cccc(=O)[nH]1 ZINC001444961125 966025005 /nfs/dbraw/zinc/02/50/05/966025005.db2.gz BSSMNVQMDBMDED-UHFFFAOYSA-N 1 2 283.759 1.544 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cccc(=O)[nH]1 ZINC001444961125 966025017 /nfs/dbraw/zinc/02/50/17/966025017.db2.gz BSSMNVQMDBMDED-UHFFFAOYSA-N 1 2 283.759 1.544 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1c(C)noc1C ZINC001445069017 966084879 /nfs/dbraw/zinc/08/48/79/966084879.db2.gz WZMOMMHHSKJASF-UHFFFAOYSA-N 1 2 299.802 1.977 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1c(C)noc1C ZINC001445069017 966084892 /nfs/dbraw/zinc/08/48/92/966084892.db2.gz WZMOMMHHSKJASF-UHFFFAOYSA-N 1 2 299.802 1.977 20 30 CDEDLO C[C@H]1CCC[C@@](C#N)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001351220935 966889419 /nfs/dbraw/zinc/88/94/19/966889419.db2.gz CPWZFSFKRGHEAG-SWLSCSKDSA-N 1 2 274.368 1.941 20 30 CDEDLO Cc1ccc(C#N)cc1C(=O)NCCc1[nH]cc[nH+]1 ZINC001543790529 967318853 /nfs/dbraw/zinc/31/88/53/967318853.db2.gz YJGNOHZKEOBXQB-UHFFFAOYSA-N 1 2 254.293 1.562 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)N1CCc2c1cccc2C#N ZINC001548722849 967787273 /nfs/dbraw/zinc/78/72/73/967787273.db2.gz WZBXJODKGPVYPZ-UHFFFAOYSA-N 1 2 280.331 1.814 20 30 CDEDLO CC[N@@H+]1CCO[C@H](C(=O)OCCc2ccc(C#N)cc2)C1 ZINC000849735192 969987123 /nfs/dbraw/zinc/98/71/23/969987123.db2.gz ROOBUQPDUZWPTC-HNNXBMFYSA-N 1 2 288.347 1.365 20 30 CDEDLO CC[N@H+]1CCO[C@H](C(=O)OCCc2ccc(C#N)cc2)C1 ZINC000849735192 969987126 /nfs/dbraw/zinc/98/71/26/969987126.db2.gz ROOBUQPDUZWPTC-HNNXBMFYSA-N 1 2 288.347 1.365 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C1=COCCC1 ZINC001372284805 972892919 /nfs/dbraw/zinc/89/29/19/972892919.db2.gz UOALKPOOKQGMFC-UHFFFAOYSA-N 1 2 272.776 1.871 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C1=COCCC1 ZINC001372284805 972892933 /nfs/dbraw/zinc/89/29/33/972892933.db2.gz UOALKPOOKQGMFC-UHFFFAOYSA-N 1 2 272.776 1.871 20 30 CDEDLO CC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1cc(OC)ns1 ZINC001372290927 972896619 /nfs/dbraw/zinc/89/66/19/972896619.db2.gz XECXAIKVLZPXGJ-SNVBAGLBSA-N 1 2 296.396 1.249 20 30 CDEDLO CC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1cc(OC)ns1 ZINC001372290927 972896631 /nfs/dbraw/zinc/89/66/31/972896631.db2.gz XECXAIKVLZPXGJ-SNVBAGLBSA-N 1 2 296.396 1.249 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cnc(C)n1C)C1CC1 ZINC001377542971 975069232 /nfs/dbraw/zinc/06/92/32/975069232.db2.gz VAJFYTHVWWOIDA-UHFFFAOYSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cnc(C)n1C)C1CC1 ZINC001377542971 975069235 /nfs/dbraw/zinc/06/92/35/975069235.db2.gz VAJFYTHVWWOIDA-UHFFFAOYSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cccc(=O)n1C ZINC001506000083 975078392 /nfs/dbraw/zinc/07/83/92/975078392.db2.gz VGFWKMBOMNQGCJ-LLVKDONJSA-N 1 2 297.786 1.188 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cccc(=O)n1C ZINC001506000083 975078397 /nfs/dbraw/zinc/07/83/97/975078397.db2.gz VGFWKMBOMNQGCJ-LLVKDONJSA-N 1 2 297.786 1.188 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1oncc1C ZINC001506032836 975093538 /nfs/dbraw/zinc/09/35/38/975093538.db2.gz YBUCEAQHQBMXFR-JTQLQIEISA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1oncc1C ZINC001506032836 975093540 /nfs/dbraw/zinc/09/35/40/975093540.db2.gz YBUCEAQHQBMXFR-JTQLQIEISA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc[nH]c(=O)c1 ZINC001379653261 975990046 /nfs/dbraw/zinc/99/00/46/975990046.db2.gz OSJUVFNVCOWOLS-SNVBAGLBSA-N 1 2 283.759 1.590 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc[nH]c(=O)c1 ZINC001379653261 975990053 /nfs/dbraw/zinc/99/00/53/975990053.db2.gz OSJUVFNVCOWOLS-SNVBAGLBSA-N 1 2 283.759 1.590 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccnc(OC)c1 ZINC001379709714 976025269 /nfs/dbraw/zinc/02/52/69/976025269.db2.gz QJWBGFBLQRDMRP-NSHDSACASA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccnc(OC)c1 ZINC001379709714 976025280 /nfs/dbraw/zinc/02/52/80/976025280.db2.gz QJWBGFBLQRDMRP-NSHDSACASA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H]1CCCCO1)C1CC1 ZINC001391159435 976736684 /nfs/dbraw/zinc/73/66/84/976736684.db2.gz NEDRDRLMGXKXEE-CYBMUJFWSA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1CCCCO1)C1CC1 ZINC001391159435 976736689 /nfs/dbraw/zinc/73/66/89/976736689.db2.gz NEDRDRLMGXKXEE-CYBMUJFWSA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnn(CC)c1 ZINC001403535847 977039308 /nfs/dbraw/zinc/03/93/08/977039308.db2.gz IBLIGCAHAMOKJH-UHFFFAOYSA-N 1 2 270.764 1.317 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnn(CC)c1 ZINC001403535847 977039319 /nfs/dbraw/zinc/03/93/19/977039319.db2.gz IBLIGCAHAMOKJH-UHFFFAOYSA-N 1 2 270.764 1.317 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCc2ccn(C)n2)C1 ZINC001400625496 977115555 /nfs/dbraw/zinc/11/55/55/977115555.db2.gz YWQGBLVMPUJPTI-ZDUSSCGKSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCc2ccn(C)n2)C1 ZINC001400625496 977115561 /nfs/dbraw/zinc/11/55/61/977115561.db2.gz YWQGBLVMPUJPTI-ZDUSSCGKSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1cc[nH]n1)C1CC1 ZINC001404209660 977368759 /nfs/dbraw/zinc/36/87/59/977368759.db2.gz INROGAUFWIUIAX-UHFFFAOYSA-N 1 2 282.775 1.285 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1cc[nH]n1)C1CC1 ZINC001404209660 977368764 /nfs/dbraw/zinc/36/87/64/977368764.db2.gz INROGAUFWIUIAX-UHFFFAOYSA-N 1 2 282.775 1.285 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001132391630 1163264237 /nfs/dbraw/zinc/26/42/37/1163264237.db2.gz MKJFHTWLIOIEMQ-SECBINFHSA-N 1 2 268.386 1.517 20 30 CDEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001132569055 1163376055 /nfs/dbraw/zinc/37/60/55/1163376055.db2.gz KCSIFYNSSTXVAB-GHMZBOCLSA-N 1 2 280.372 1.296 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nn(C)cc1Cl ZINC001132573970 1163382372 /nfs/dbraw/zinc/38/23/72/1163382372.db2.gz TZZYOULIURGWQP-QWRGUYRKSA-N 1 2 298.818 1.738 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NCC[NH2+]Cc1ncccn1 ZINC001132653245 1163416908 /nfs/dbraw/zinc/41/69/08/1163416908.db2.gz IDECFMPLGUUOSL-LBPRGKRZSA-N 1 2 262.357 1.285 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001133379052 1163661818 /nfs/dbraw/zinc/66/18/18/1163661818.db2.gz RUJMJZUGJWXDRE-CYBMUJFWSA-N 1 2 266.345 1.186 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccon1 ZINC001570697095 1170234717 /nfs/dbraw/zinc/23/47/17/1170234717.db2.gz ATVZXMNELYKVMA-SECBINFHSA-N 1 2 257.721 1.477 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccon1 ZINC001570697095 1170234720 /nfs/dbraw/zinc/23/47/20/1170234720.db2.gz ATVZXMNELYKVMA-SECBINFHSA-N 1 2 257.721 1.477 20 30 CDEDLO C[C@]1(C#N)CCC[N@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC000585753979 342454715 /nfs/dbraw/zinc/45/47/15/342454715.db2.gz XVVBHZUMLFSPPT-CHWSQXEVSA-N 1 2 270.398 1.437 20 30 CDEDLO C[C@]1(C#N)CCC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC000585753979 342454716 /nfs/dbraw/zinc/45/47/16/342454716.db2.gz XVVBHZUMLFSPPT-CHWSQXEVSA-N 1 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CWRMMCXBCKARII-SMDDNHRTSA-N 1 2 261.325 1.189 20 30 CDEDLO CC(C)(C#N)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000042106306 342053080 /nfs/dbraw/zinc/05/30/80/342053080.db2.gz VVCUEVCAJYEVHS-UHFFFAOYSA-N 1 2 272.352 1.276 20 30 CDEDLO CCOC(=O)[C@@H]1CSCC[N@@H+]1CCCCC#N ZINC000608832245 342053986 /nfs/dbraw/zinc/05/39/86/342053986.db2.gz IMPBOPLCNKXXHA-NSHDSACASA-N 1 2 256.371 1.661 20 30 CDEDLO CCOC(=O)[C@@H]1CSCC[N@H+]1CCCCC#N ZINC000608832245 342053987 /nfs/dbraw/zinc/05/39/87/342053987.db2.gz IMPBOPLCNKXXHA-NSHDSACASA-N 1 2 256.371 1.661 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000590954599 342610655 /nfs/dbraw/zinc/61/06/55/342610655.db2.gz WNTGVRWKXIWYBU-UHFFFAOYSA-N 1 2 287.367 1.091 20 30 CDEDLO COC(=O)C1(CNc2cc(C)[nH+]cc2C#N)CCCC1 ZINC000591820990 342647435 /nfs/dbraw/zinc/64/74/35/342647435.db2.gz YCSZRDDNOZHPHZ-UHFFFAOYSA-N 1 2 273.336 1.829 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000592148251 342668326 /nfs/dbraw/zinc/66/83/26/342668326.db2.gz SQQWUPUQXCLSRR-CYBMUJFWSA-N 1 2 252.264 1.815 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000592148251 342668327 /nfs/dbraw/zinc/66/83/27/342668327.db2.gz SQQWUPUQXCLSRR-CYBMUJFWSA-N 1 2 252.264 1.815 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(Br)o2)C1 ZINC000592523291 342702674 /nfs/dbraw/zinc/70/26/74/342702674.db2.gz YAMMSDWUQPDWGH-LLVKDONJSA-N 1 2 285.141 1.893 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(Br)o2)C1 ZINC000592523291 342702675 /nfs/dbraw/zinc/70/26/75/342702675.db2.gz YAMMSDWUQPDWGH-LLVKDONJSA-N 1 2 285.141 1.893 20 30 CDEDLO COc1ccccc1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000562921521 361982035 /nfs/dbraw/zinc/98/20/35/361982035.db2.gz PHZDNJYAGVDJGV-HNNXBMFYSA-N 1 2 275.352 1.198 20 30 CDEDLO N#CCC(=O)N1CC[NH+](CCc2noc3ccccc32)CC1 ZINC000594003434 342862457 /nfs/dbraw/zinc/86/24/57/342862457.db2.gz BJLMILPARGMGGX-UHFFFAOYSA-N 1 2 298.346 1.428 20 30 CDEDLO C=C(C)C[N@@H+](C)Cc1cn(Cc2cccnc2)nn1 ZINC000183165044 539143820 /nfs/dbraw/zinc/14/38/20/539143820.db2.gz HYAATFZTQWWTGM-UHFFFAOYSA-N 1 2 257.341 1.729 20 30 CDEDLO C=C(C)C[N@H+](C)Cc1cn(Cc2cccnc2)nn1 ZINC000183165044 539143821 /nfs/dbraw/zinc/14/38/21/539143821.db2.gz HYAATFZTQWWTGM-UHFFFAOYSA-N 1 2 257.341 1.729 20 30 CDEDLO CCC(C#N)(CC)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000599351556 344019200 /nfs/dbraw/zinc/01/92/00/344019200.db2.gz ZYLZPRHAWSTUJD-STQMWFEESA-N 1 2 281.400 1.542 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2nccs2)C1 ZINC000595615251 343109581 /nfs/dbraw/zinc/10/95/81/343109581.db2.gz LLJDFWIUBPFLAJ-SNVBAGLBSA-N 1 2 264.354 1.707 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2nccs2)C1 ZINC000595615251 343109583 /nfs/dbraw/zinc/10/95/83/343109583.db2.gz LLJDFWIUBPFLAJ-SNVBAGLBSA-N 1 2 264.354 1.707 20 30 CDEDLO Cn1cc(N2CC[C@H]([N@@H+]3CCC[C@H](CC#N)C3)C2=O)cn1 ZINC000595616573 343110239 /nfs/dbraw/zinc/11/02/39/343110239.db2.gz UYPITMRKFLQSDT-OCCSQVGLSA-N 1 2 287.367 1.151 20 30 CDEDLO Cn1cc(N2CC[C@H]([N@H+]3CCC[C@H](CC#N)C3)C2=O)cn1 ZINC000595616573 343110242 /nfs/dbraw/zinc/11/02/42/343110242.db2.gz UYPITMRKFLQSDT-OCCSQVGLSA-N 1 2 287.367 1.151 20 30 CDEDLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595623203 343111976 /nfs/dbraw/zinc/11/19/76/343111976.db2.gz JQYFWSWWROWPJY-QWRGUYRKSA-N 1 2 260.345 1.695 20 30 CDEDLO C[C@@H](c1nnnn1C1CC1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623203 343111978 /nfs/dbraw/zinc/11/19/78/343111978.db2.gz JQYFWSWWROWPJY-QWRGUYRKSA-N 1 2 260.345 1.695 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)Nc2sccc2C#N)C[C@@]1(C)CO ZINC000595870474 343176715 /nfs/dbraw/zinc/17/67/15/343176715.db2.gz GOKLPLLIXNDKSN-HZMBPMFUSA-N 1 2 293.392 1.509 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)C[C@@]1(C)CO ZINC000595870474 343176717 /nfs/dbraw/zinc/17/67/17/343176717.db2.gz GOKLPLLIXNDKSN-HZMBPMFUSA-N 1 2 293.392 1.509 20 30 CDEDLO CCc1nc(C#N)cc(NCCc2ccc(C)[nH+]c2)n1 ZINC000596119024 343232722 /nfs/dbraw/zinc/23/27/22/343232722.db2.gz IVVBTNKVSBTTKQ-UHFFFAOYSA-N 1 2 267.336 1.691 20 30 CDEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)C1 ZINC000081358195 342367537 /nfs/dbraw/zinc/36/75/37/342367537.db2.gz JXDVHLFYIJMIRN-QWHCGFSZSA-N 1 2 293.754 1.351 20 30 CDEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)C1 ZINC000081358195 342367538 /nfs/dbraw/zinc/36/75/38/342367538.db2.gz JXDVHLFYIJMIRN-QWHCGFSZSA-N 1 2 293.754 1.351 20 30 CDEDLO Cc1ccc(C#N)nc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000596192855 343253550 /nfs/dbraw/zinc/25/35/50/343253550.db2.gz WDWYWWKJOWVUFJ-UHFFFAOYSA-N 1 2 294.362 1.687 20 30 CDEDLO C[C@@H](Nc1nc(C#N)c(Cl)s1)[C@H]1C[N@H+](C)CCO1 ZINC000596168263 343258043 /nfs/dbraw/zinc/25/80/43/343258043.db2.gz SEPRFQURHAYROY-VXNVDRBHSA-N 1 2 286.788 1.221 20 30 CDEDLO C[C@@H](Nc1nc(C#N)c(Cl)s1)[C@H]1C[N@@H+](C)CCO1 ZINC000596168263 343258044 /nfs/dbraw/zinc/25/80/44/343258044.db2.gz SEPRFQURHAYROY-VXNVDRBHSA-N 1 2 286.788 1.221 20 30 CDEDLO CCc1nc(C#N)cc(NCc2cc(C)[nH+]c(C)c2)n1 ZINC000596278984 343296866 /nfs/dbraw/zinc/29/68/66/343296866.db2.gz NXNNCNVIXVHQFW-UHFFFAOYSA-N 1 2 267.336 1.957 20 30 CDEDLO Cc1nnc(NCC[N@H+]2C[C@H](C)OC[C@H]2C)c(C#N)c1C ZINC000596426918 343311829 /nfs/dbraw/zinc/31/18/29/343311829.db2.gz DBIXRKRPMWKJNC-MNOVXSKESA-N 1 2 289.383 1.486 20 30 CDEDLO Cc1nnc(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c(C#N)c1C ZINC000596426918 343311830 /nfs/dbraw/zinc/31/18/30/343311830.db2.gz DBIXRKRPMWKJNC-MNOVXSKESA-N 1 2 289.383 1.486 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)NCC2(CC#N)CC2)[C@@H](C)CO1 ZINC000596587639 343355934 /nfs/dbraw/zinc/35/59/34/343355934.db2.gz OJJCWVKWZASEHD-STQMWFEESA-N 1 2 294.399 1.089 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)NCC2(CC#N)CC2)[C@@H](C)CO1 ZINC000596587639 343355936 /nfs/dbraw/zinc/35/59/36/343355936.db2.gz OJJCWVKWZASEHD-STQMWFEESA-N 1 2 294.399 1.089 20 30 CDEDLO CN(CC#N)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000597012183 343436146 /nfs/dbraw/zinc/43/61/46/343436146.db2.gz OUBOSYZIHVBGJZ-ZDUSSCGKSA-N 1 2 268.320 1.914 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccnn2CC2CC2)C1 ZINC000597157913 343462852 /nfs/dbraw/zinc/46/28/52/343462852.db2.gz UCBFXDYMBMGCPW-CQSZACIVSA-N 1 2 260.341 1.144 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccnn2CC2CC2)C1 ZINC000597157913 343462853 /nfs/dbraw/zinc/46/28/53/343462853.db2.gz UCBFXDYMBMGCPW-CQSZACIVSA-N 1 2 260.341 1.144 20 30 CDEDLO CCN1CC[N@H+](CCOc2cccc(C#N)c2)C[C@H]1C ZINC000250264713 349826336 /nfs/dbraw/zinc/82/63/36/349826336.db2.gz KFZIXROIWMESSQ-CQSZACIVSA-N 1 2 273.380 1.963 20 30 CDEDLO CCN1CC[N@@H+](CCOc2cccc(C#N)c2)C[C@H]1C ZINC000250264713 349826339 /nfs/dbraw/zinc/82/63/39/349826339.db2.gz KFZIXROIWMESSQ-CQSZACIVSA-N 1 2 273.380 1.963 20 30 CDEDLO C=C[C@H]([NH2+][C@H]1C[C@H](OC)C1(CC)CC)C(=O)OC ZINC000619703316 349860334 /nfs/dbraw/zinc/86/03/34/349860334.db2.gz JEDMQAWGBKCKPR-SRVKXCTJSA-N 1 2 255.358 1.897 20 30 CDEDLO C=C[C@@H](C(=O)OC)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000619720056 349870526 /nfs/dbraw/zinc/87/05/26/349870526.db2.gz XBNFDXJBLVFNQU-ZDUSSCGKSA-N 1 2 275.352 1.686 20 30 CDEDLO C[C@H](NC(=O)Cc1c(F)cccc1C#N)c1[nH+]ccn1C ZINC000598466347 343807044 /nfs/dbraw/zinc/80/70/44/343807044.db2.gz ZABAPCSDZPSHCM-JTQLQIEISA-N 1 2 286.310 1.851 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000598612592 343842245 /nfs/dbraw/zinc/84/22/45/343842245.db2.gz YMRMNZXLYLNUBS-QWRGUYRKSA-N 1 2 294.355 1.255 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000598612592 343842247 /nfs/dbraw/zinc/84/22/47/343842247.db2.gz YMRMNZXLYLNUBS-QWRGUYRKSA-N 1 2 294.355 1.255 20 30 CDEDLO C[C@@H](O)C[N@H+](CC(F)F)C[C@@H](O)CC(C)(C)C#N ZINC000598622285 343845895 /nfs/dbraw/zinc/84/58/95/343845895.db2.gz ZZNQAZNMBXTREW-ZJUUUORDSA-N 1 2 264.316 1.235 20 30 CDEDLO C[C@@H](O)C[N@@H+](CC(F)F)C[C@@H](O)CC(C)(C)C#N ZINC000598622285 343845897 /nfs/dbraw/zinc/84/58/97/343845897.db2.gz ZZNQAZNMBXTREW-ZJUUUORDSA-N 1 2 264.316 1.235 20 30 CDEDLO CC(C)(C)OC(=O)C(C)(C)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000599651199 344103116 /nfs/dbraw/zinc/10/31/16/344103116.db2.gz DQLBNOXCNSCFLS-LLVKDONJSA-N 1 2 284.400 1.997 20 30 CDEDLO CSc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)co1 ZINC000602333866 344402771 /nfs/dbraw/zinc/40/27/71/344402771.db2.gz QKIQEGGPPPQTGQ-GFCCVEGCSA-N 1 2 267.354 1.575 20 30 CDEDLO COc1ccc(F)c(C[NH+]2CCN(CCC#N)CC2)c1 ZINC000602748636 344562903 /nfs/dbraw/zinc/56/29/03/344562903.db2.gz OPKIDUSGZYPKGE-UHFFFAOYSA-N 1 2 277.343 1.866 20 30 CDEDLO CCOC(=O)[C@H]([NH2+]CC1(CC#N)CC1)[C@H]1CCCOC1 ZINC000602804399 344592688 /nfs/dbraw/zinc/59/26/88/344592688.db2.gz FGZNLWWYGATSCL-QWHCGFSZSA-N 1 2 280.368 1.628 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000602860653 344616580 /nfs/dbraw/zinc/61/65/80/344616580.db2.gz DAEUENQFUDLIJB-STQMWFEESA-N 1 2 259.353 1.925 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000602862961 344617793 /nfs/dbraw/zinc/61/77/93/344617793.db2.gz LJHFQZYRXXNFRL-VXGBXAGGSA-N 1 2 262.357 1.609 20 30 CDEDLO N#CCc1ccc(C[NH+]2CCN(Cc3nnc[nH]3)CC2)cc1 ZINC000602862665 344617840 /nfs/dbraw/zinc/61/78/40/344617840.db2.gz DVVJLVBFOSLPIH-UHFFFAOYSA-N 1 2 296.378 1.189 20 30 CDEDLO N#CCc1ccc(C[NH+]2CCN(Cc3nc[nH]n3)CC2)cc1 ZINC000602862665 344617843 /nfs/dbraw/zinc/61/78/43/344617843.db2.gz DVVJLVBFOSLPIH-UHFFFAOYSA-N 1 2 296.378 1.189 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NCC1(C#N)CC1)C(C)(C)CO ZINC000602881890 344633656 /nfs/dbraw/zinc/63/36/56/344633656.db2.gz LOTQMKWDZIPBNJ-LLVKDONJSA-N 1 2 262.357 1.373 20 30 CDEDLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N)c(OC)c1 ZINC000602864118 344637733 /nfs/dbraw/zinc/63/77/33/344637733.db2.gz QUFIDRWXPBCOHF-GHMZBOCLSA-N 1 2 291.351 1.923 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1ccc(Cl)cn1 ZINC000602869779 344640432 /nfs/dbraw/zinc/64/04/32/344640432.db2.gz OSMRDYAMOVYOIF-DTWKUNHWSA-N 1 2 266.732 1.954 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000602870475 344641058 /nfs/dbraw/zinc/64/10/58/344641058.db2.gz UJFILRSPLMGEPV-NSHDSACASA-N 1 2 288.351 1.219 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612164435 347067104 /nfs/dbraw/zinc/06/71/04/347067104.db2.gz BZXSGNMFGFHLSQ-TZMCWYRMSA-N 1 2 262.357 1.373 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612164435 347067106 /nfs/dbraw/zinc/06/71/06/347067106.db2.gz BZXSGNMFGFHLSQ-TZMCWYRMSA-N 1 2 262.357 1.373 20 30 CDEDLO CC[N@@H+](CC(=O)NCc1ccccc1F)C[C@H](C)C#N ZINC000049982477 344977138 /nfs/dbraw/zinc/97/71/38/344977138.db2.gz RLFISKWEZJWFRX-GFCCVEGCSA-N 1 2 277.343 1.923 20 30 CDEDLO CC[N@H+](CC(=O)NCc1ccccc1F)C[C@H](C)C#N ZINC000049982477 344977140 /nfs/dbraw/zinc/97/71/40/344977140.db2.gz RLFISKWEZJWFRX-GFCCVEGCSA-N 1 2 277.343 1.923 20 30 CDEDLO COC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000052276942 345238160 /nfs/dbraw/zinc/23/81/60/345238160.db2.gz MFESJWURFQYMDW-UHFFFAOYSA-N 1 2 259.309 1.442 20 30 CDEDLO C[C@H](CCC#N)C[N@@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000618888167 345419392 /nfs/dbraw/zinc/41/93/92/345419392.db2.gz NTPMJFZPWWITPA-GFCCVEGCSA-N 1 2 275.356 1.009 20 30 CDEDLO C[C@H](CCC#N)C[N@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000618888167 345419394 /nfs/dbraw/zinc/41/93/94/345419394.db2.gz NTPMJFZPWWITPA-GFCCVEGCSA-N 1 2 275.356 1.009 20 30 CDEDLO C=CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H](C)COC ZINC000617581572 345867019 /nfs/dbraw/zinc/86/70/19/345867019.db2.gz UGPNSBQGBHVUFX-OLZOCXBDSA-N 1 2 277.368 1.495 20 30 CDEDLO C=CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@@H](C)COC ZINC000617584866 345868815 /nfs/dbraw/zinc/86/88/15/345868815.db2.gz NMOGTZDGDIEGTN-NEPJUHHUSA-N 1 2 265.357 1.638 20 30 CDEDLO C=CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@@H](C)COC ZINC000617584866 345868818 /nfs/dbraw/zinc/86/88/18/345868818.db2.gz NMOGTZDGDIEGTN-NEPJUHHUSA-N 1 2 265.357 1.638 20 30 CDEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000609622469 345980784 /nfs/dbraw/zinc/98/07/84/345980784.db2.gz YXELYAVCBCIMPE-CQSZACIVSA-N 1 2 295.346 1.567 20 30 CDEDLO Cc1cc(NC2CCN(CC#N)CC2)c(C#N)c[nH+]1 ZINC000399411249 346057854 /nfs/dbraw/zinc/05/78/54/346057854.db2.gz WBJRMNFLNFBXIU-UHFFFAOYSA-N 1 2 255.325 1.083 20 30 CDEDLO CC[C@H](C(=O)NC1(C#N)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000619877679 349941660 /nfs/dbraw/zinc/94/16/60/349941660.db2.gz SNDYYKVTSPLUBG-NWDGAFQWSA-N 1 2 265.357 1.048 20 30 CDEDLO CC[C@H](C(=O)NC1(C#N)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000619877679 349941664 /nfs/dbraw/zinc/94/16/64/349941664.db2.gz SNDYYKVTSPLUBG-NWDGAFQWSA-N 1 2 265.357 1.048 20 30 CDEDLO COCC[N@H+](CCC#N)C[C@@H](O)COc1cccc(C)c1 ZINC000610511764 346300647 /nfs/dbraw/zinc/30/06/47/346300647.db2.gz WARYJOGRVIMCCD-OAHLLOKOSA-N 1 2 292.379 1.597 20 30 CDEDLO COCC[N@@H+](CCC#N)C[C@@H](O)COc1cccc(C)c1 ZINC000610511764 346300651 /nfs/dbraw/zinc/30/06/51/346300651.db2.gz WARYJOGRVIMCCD-OAHLLOKOSA-N 1 2 292.379 1.597 20 30 CDEDLO CC[N@H+](CCC#N)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610511716 346300736 /nfs/dbraw/zinc/30/07/36/346300736.db2.gz MQKUVYBRTOKPFV-HNNXBMFYSA-N 1 2 287.363 1.728 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610511716 346300738 /nfs/dbraw/zinc/30/07/38/346300738.db2.gz MQKUVYBRTOKPFV-HNNXBMFYSA-N 1 2 287.363 1.728 20 30 CDEDLO Cc1cccn2cc(CCNC(=O)N(C)C[C@H](C)C#N)[nH+]c12 ZINC000610461757 346287388 /nfs/dbraw/zinc/28/73/88/346287388.db2.gz GRCYRGXKVYNKIQ-GFCCVEGCSA-N 1 2 299.378 1.986 20 30 CDEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1cn[nH]c1 ZINC000610662133 346336268 /nfs/dbraw/zinc/33/62/68/346336268.db2.gz MJTFOMVOEGXUJE-UHFFFAOYSA-N 1 2 269.308 1.352 20 30 CDEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1cn[nH]c1 ZINC000610662133 346336271 /nfs/dbraw/zinc/33/62/71/346336271.db2.gz MJTFOMVOEGXUJE-UHFFFAOYSA-N 1 2 269.308 1.352 20 30 CDEDLO N#Cc1ccc(/C=C\C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000212770943 346601765 /nfs/dbraw/zinc/60/17/65/346601765.db2.gz QXMZGFCPKPQCSG-WAYWQWQTSA-N 1 2 285.347 1.020 20 30 CDEDLO N#CCCN1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000611174782 346627936 /nfs/dbraw/zinc/62/79/36/346627936.db2.gz MTASCIWVDDSRDQ-UHFFFAOYSA-N 1 2 272.327 1.729 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612618943 347225532 /nfs/dbraw/zinc/22/55/32/347225532.db2.gz CQBNBFJQOWTSAL-JTQLQIEISA-N 1 2 297.336 1.260 20 30 CDEDLO C#CCN(C(=O)N[C@H](C)c1[nH+]ccn1CC)C1CC1 ZINC000491496308 347583132 /nfs/dbraw/zinc/58/31/32/347583132.db2.gz PLXUINJHOGFHML-LLVKDONJSA-N 1 2 260.341 1.771 20 30 CDEDLO C#CCN(CC#CC)C(=O)NCc1c[nH+]c(C)cc1C ZINC000491704089 347586948 /nfs/dbraw/zinc/58/69/48/347586948.db2.gz KDIOUGGDMCPRIB-UHFFFAOYSA-N 1 2 269.348 1.867 20 30 CDEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(C#N)s1 ZINC000126658092 290198098 /nfs/dbraw/zinc/19/80/98/290198098.db2.gz ADVMHUKYXVAKEH-NXEZZACHSA-N 1 2 286.422 1.873 20 30 CDEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000126658092 290198099 /nfs/dbraw/zinc/19/80/99/290198099.db2.gz ADVMHUKYXVAKEH-NXEZZACHSA-N 1 2 286.422 1.873 20 30 CDEDLO C=C[C@@H](O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000614189000 348029926 /nfs/dbraw/zinc/02/99/26/348029926.db2.gz NLAUPFGIWFUMBN-CQSZACIVSA-N 1 2 289.379 1.472 20 30 CDEDLO CC[N@@H+](Cc1cnc2c(C#N)cnn2c1)C[C@H](C)C#N ZINC000575401653 348481875 /nfs/dbraw/zinc/48/18/75/348481875.db2.gz FDCKVIDIWWLGCC-LLVKDONJSA-N 1 2 268.324 1.583 20 30 CDEDLO CC[N@H+](Cc1cnc2c(C#N)cnn2c1)C[C@H](C)C#N ZINC000575401653 348481878 /nfs/dbraw/zinc/48/18/78/348481878.db2.gz FDCKVIDIWWLGCC-LLVKDONJSA-N 1 2 268.324 1.583 20 30 CDEDLO C[C@H](CNC(=O)Nc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000043329569 348754631 /nfs/dbraw/zinc/75/46/31/348754631.db2.gz HTZZLDYKDTXAAC-GFCCVEGCSA-N 1 2 288.351 1.400 20 30 CDEDLO N#C[C@@H](C(=O)C[NH+]1CCCC1)c1nc2ccccc2c(=O)[nH]1 ZINC000057886652 348850604 /nfs/dbraw/zinc/85/06/04/348850604.db2.gz IWXLSTFBXXWOEA-LBPRGKRZSA-N 1 2 296.330 1.607 20 30 CDEDLO C[C@](O)(C[N@@H+]1CCC[C@@](C)(C#N)C1)C(F)(F)F ZINC000619621176 349274383 /nfs/dbraw/zinc/27/43/83/349274383.db2.gz ALWAHWCJAHUNTL-UWVGGRQHSA-N 1 2 250.264 1.925 20 30 CDEDLO C[C@](O)(C[N@H+]1CCC[C@@](C)(C#N)C1)C(F)(F)F ZINC000619621176 349274384 /nfs/dbraw/zinc/27/43/84/349274384.db2.gz ALWAHWCJAHUNTL-UWVGGRQHSA-N 1 2 250.264 1.925 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N[C@@H](C)c1[nH+]ccn1C)OCC ZINC000620604093 350276998 /nfs/dbraw/zinc/27/69/98/350276998.db2.gz QCIXRGUAPXVBMH-NWDGAFQWSA-N 1 2 265.357 1.969 20 30 CDEDLO C[N@H+](Cc1ccc(OCC#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000264527578 363087348 /nfs/dbraw/zinc/08/73/48/363087348.db2.gz CLAKDNXNOCXEFF-ZDUSSCGKSA-N 1 2 294.376 1.208 20 30 CDEDLO C[N@@H+](Cc1ccc(OCC#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000264527578 363087356 /nfs/dbraw/zinc/08/73/56/363087356.db2.gz CLAKDNXNOCXEFF-ZDUSSCGKSA-N 1 2 294.376 1.208 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CCNC(=O)C(C)C ZINC000157525343 188322701 /nfs/dbraw/zinc/32/27/01/188322701.db2.gz RMSCUYDYSJGETP-UHFFFAOYSA-N 1 2 283.416 1.115 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CCNC(=O)C(C)C ZINC000157525343 188322702 /nfs/dbraw/zinc/32/27/02/188322702.db2.gz RMSCUYDYSJGETP-UHFFFAOYSA-N 1 2 283.416 1.115 20 30 CDEDLO COc1ccc(/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000493164390 366195328 /nfs/dbraw/zinc/19/53/28/366195328.db2.gz LLPGQWYCVSBSHX-BJIFSAINSA-N 1 2 287.363 1.668 20 30 CDEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(F)(C#N)CC2)C1 ZINC000352458730 291112201 /nfs/dbraw/zinc/11/22/01/291112201.db2.gz OEQPVRWRWBVKIX-STQMWFEESA-N 1 2 281.375 1.819 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000048336726 356789294 /nfs/dbraw/zinc/78/92/94/356789294.db2.gz RIRMWJLCAWWHQK-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO N#Cc1cnc(C(=O)N2CCn3c[nH+]cc3C2)c(Cl)c1 ZINC000359487102 283229550 /nfs/dbraw/zinc/22/95/50/283229550.db2.gz WAWHFPNBJCHRQE-UHFFFAOYSA-N 1 2 287.710 1.459 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cn1ncc(C(=O)OCC)c1C(F)F ZINC000491740384 357458787 /nfs/dbraw/zinc/45/87/87/357458787.db2.gz DTKQBYIGKXSVDY-VIFPVBQESA-N 1 2 285.294 1.908 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cn1ncc(C(=O)OCC)c1C(F)F ZINC000491740384 357458790 /nfs/dbraw/zinc/45/87/90/357458790.db2.gz DTKQBYIGKXSVDY-VIFPVBQESA-N 1 2 285.294 1.908 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CCNC1=O ZINC000334385702 357572432 /nfs/dbraw/zinc/57/24/32/357572432.db2.gz MZXUZYASUSAABC-LBPRGKRZSA-N 1 2 263.728 1.532 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CCNC1=O ZINC000334385702 357572436 /nfs/dbraw/zinc/57/24/36/357572436.db2.gz MZXUZYASUSAABC-LBPRGKRZSA-N 1 2 263.728 1.532 20 30 CDEDLO CC(C)N1CC[N@H+](Cc2cccc(C#N)c2)CC1=O ZINC000335744666 357968409 /nfs/dbraw/zinc/96/84/09/357968409.db2.gz OZLKGRORSBTFCI-UHFFFAOYSA-N 1 2 257.337 1.611 20 30 CDEDLO CC(C)N1CC[N@@H+](Cc2cccc(C#N)c2)CC1=O ZINC000335744666 357968412 /nfs/dbraw/zinc/96/84/12/357968412.db2.gz OZLKGRORSBTFCI-UHFFFAOYSA-N 1 2 257.337 1.611 20 30 CDEDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000189550497 358025147 /nfs/dbraw/zinc/02/51/47/358025147.db2.gz URDXJTZAHJMYLO-ZIAGYGMSSA-N 1 2 274.320 1.057 20 30 CDEDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000189550497 358025150 /nfs/dbraw/zinc/02/51/50/358025150.db2.gz URDXJTZAHJMYLO-ZIAGYGMSSA-N 1 2 274.320 1.057 20 30 CDEDLO CCOC(=O)[C@@H](C)[N@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191543639 358138474 /nfs/dbraw/zinc/13/84/74/358138474.db2.gz BCYSHPKFCWTFJS-LLVKDONJSA-N 1 2 275.352 1.813 20 30 CDEDLO CCOC(=O)[C@@H](C)[N@@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191543639 358138478 /nfs/dbraw/zinc/13/84/78/358138478.db2.gz BCYSHPKFCWTFJS-LLVKDONJSA-N 1 2 275.352 1.813 20 30 CDEDLO Cc1cccn2cc(CC(=O)N3CC(C#N)C3)[nH+]c12 ZINC000590488130 358224665 /nfs/dbraw/zinc/22/46/65/358224665.db2.gz GCRQRFSOINZTQZ-UHFFFAOYSA-N 1 2 254.293 1.167 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1cncs1 ZINC000493482296 366401606 /nfs/dbraw/zinc/40/16/06/366401606.db2.gz NFEIQAJALLHHTP-ITKZLYELSA-N 1 2 264.354 1.116 20 30 CDEDLO Cc1nc(N2CCN(c3cccnc3C#N)CC2)cc[nH+]1 ZINC000290877460 358710792 /nfs/dbraw/zinc/71/07/92/358710792.db2.gz BNBMNNVVFULLJR-UHFFFAOYSA-N 1 2 280.335 1.378 20 30 CDEDLO C=CCOc1ccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000494555464 366507091 /nfs/dbraw/zinc/50/70/91/366507091.db2.gz QTMNOHZAFALFBQ-CQSZACIVSA-N 1 2 288.347 1.888 20 30 CDEDLO C=CCOc1ccc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000494555464 366507093 /nfs/dbraw/zinc/50/70/93/366507093.db2.gz QTMNOHZAFALFBQ-CQSZACIVSA-N 1 2 288.347 1.888 20 30 CDEDLO C[C@@H](C#N)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000346511510 359019880 /nfs/dbraw/zinc/01/98/80/359019880.db2.gz SNCFCYJVNFZHCG-NSHDSACASA-N 1 2 268.320 1.344 20 30 CDEDLO C=CCNC(=O)CN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000272528303 359460290 /nfs/dbraw/zinc/46/02/90/359460290.db2.gz MDHABMZFCBRWQW-UHFFFAOYSA-N 1 2 296.374 1.533 20 30 CDEDLO C#CCN(C(=O)c1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000274153645 359493609 /nfs/dbraw/zinc/49/36/09/359493609.db2.gz ZMLRNMXIBFEKEF-UHFFFAOYSA-N 1 2 266.304 1.505 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1ccc(OC)cc1OC)C1CC1 ZINC000274238399 359494256 /nfs/dbraw/zinc/49/42/56/359494256.db2.gz XMJOZNCUGGFJLK-UHFFFAOYSA-N 1 2 288.347 1.740 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1ccc(OC)cc1OC)C1CC1 ZINC000274238399 359494262 /nfs/dbraw/zinc/49/42/62/359494262.db2.gz XMJOZNCUGGFJLK-UHFFFAOYSA-N 1 2 288.347 1.740 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000277270450 359558420 /nfs/dbraw/zinc/55/84/20/359558420.db2.gz RPSRJEWCGJCVLR-YJYMSZOUSA-N 1 2 284.425 1.030 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000277270450 359558426 /nfs/dbraw/zinc/55/84/26/359558426.db2.gz RPSRJEWCGJCVLR-YJYMSZOUSA-N 1 2 284.425 1.030 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)NC2CC2)n1 ZINC000279685819 359592198 /nfs/dbraw/zinc/59/21/98/359592198.db2.gz HAVMBPMBAVRCDD-GFCCVEGCSA-N 1 2 274.368 1.005 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)NC2CC2)n1 ZINC000279685819 359592202 /nfs/dbraw/zinc/59/22/02/359592202.db2.gz HAVMBPMBAVRCDD-GFCCVEGCSA-N 1 2 274.368 1.005 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)[C@@H](C(N)=O)C1 ZINC000571816315 359617870 /nfs/dbraw/zinc/61/78/70/359617870.db2.gz WRMAUOKLMAOMRX-GXFFZTMASA-N 1 2 258.325 1.039 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cn2)[C@@H](C(N)=O)C1 ZINC000571816315 359617874 /nfs/dbraw/zinc/61/78/74/359617874.db2.gz WRMAUOKLMAOMRX-GXFFZTMASA-N 1 2 258.325 1.039 20 30 CDEDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C)CCO1 ZINC000166228829 359783217 /nfs/dbraw/zinc/78/32/17/359783217.db2.gz RCFNGGSIDBRFOZ-OAHLLOKOSA-N 1 2 288.347 1.631 20 30 CDEDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C)CCO1 ZINC000166228829 359783220 /nfs/dbraw/zinc/78/32/20/359783220.db2.gz RCFNGGSIDBRFOZ-OAHLLOKOSA-N 1 2 288.347 1.631 20 30 CDEDLO C=CCOCCC[NH+]1CCN(C[C@@H]2CCOC2)CC1 ZINC000348050503 359802102 /nfs/dbraw/zinc/80/21/02/359802102.db2.gz KDFZMYHGARHJEH-HNNXBMFYSA-N 1 2 268.401 1.233 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)C(C)(C)C(=O)OCC)C1=O ZINC000337191323 360017801 /nfs/dbraw/zinc/01/78/01/360017801.db2.gz TXIKEKYHZMCLGS-LLVKDONJSA-N 1 2 268.357 1.047 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)C(C)(C)C(=O)OCC)C1=O ZINC000337191323 360017805 /nfs/dbraw/zinc/01/78/05/360017805.db2.gz TXIKEKYHZMCLGS-LLVKDONJSA-N 1 2 268.357 1.047 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@H](CCC)C2)C1=O ZINC000337195645 360018873 /nfs/dbraw/zinc/01/88/73/360018873.db2.gz WWAXIIFRQBSJBO-OLZOCXBDSA-N 1 2 252.358 1.274 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@H](CCC)C2)C1=O ZINC000337195645 360018878 /nfs/dbraw/zinc/01/88/78/360018878.db2.gz WWAXIIFRQBSJBO-OLZOCXBDSA-N 1 2 252.358 1.274 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NCCCC)C1=O ZINC000337203612 360025127 /nfs/dbraw/zinc/02/51/27/360025127.db2.gz GRSTYNKBFXGWLJ-OLZOCXBDSA-N 1 2 281.400 1.010 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)NCCCC)C1=O ZINC000337203612 360025130 /nfs/dbraw/zinc/02/51/30/360025130.db2.gz GRSTYNKBFXGWLJ-OLZOCXBDSA-N 1 2 281.400 1.010 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cc(C(=O)OC)sc1C ZINC000089135145 360163888 /nfs/dbraw/zinc/16/38/88/360163888.db2.gz PBJOPIDQAFTXJX-UHFFFAOYSA-N 1 2 261.346 1.912 20 30 CDEDLO C[C@@H](NC(=O)c1cc(C#N)cs1)[C@@H](C)[NH+]1CCOCC1 ZINC000177466012 189053308 /nfs/dbraw/zinc/05/33/08/189053308.db2.gz RAJIZJNIDTVIPK-GHMZBOCLSA-N 1 2 293.392 1.459 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCC[C@H]2C#N)CCO1 ZINC000426236314 360652095 /nfs/dbraw/zinc/65/20/95/360652095.db2.gz FOZXLJGSZUEPAI-BFHYXJOUSA-N 1 2 294.399 1.089 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCC[C@H]2C#N)CCO1 ZINC000426236314 360652100 /nfs/dbraw/zinc/65/21/00/360652100.db2.gz FOZXLJGSZUEPAI-BFHYXJOUSA-N 1 2 294.399 1.089 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000245504806 360702869 /nfs/dbraw/zinc/70/28/69/360702869.db2.gz FGIPMSIFMLRIIQ-KDOFPFPSSA-N 1 2 298.386 1.298 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000245504806 360702871 /nfs/dbraw/zinc/70/28/71/360702871.db2.gz FGIPMSIFMLRIIQ-KDOFPFPSSA-N 1 2 298.386 1.298 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000245984620 360779994 /nfs/dbraw/zinc/77/99/94/360779994.db2.gz VZOYXAYCLIETLW-JSGCOSHPSA-N 1 2 279.384 1.105 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCOC[C@H]1C1CC1 ZINC000245984620 360779996 /nfs/dbraw/zinc/77/99/96/360779996.db2.gz VZOYXAYCLIETLW-JSGCOSHPSA-N 1 2 279.384 1.105 20 30 CDEDLO CCn1nccc1C[N@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000429722861 360871836 /nfs/dbraw/zinc/87/18/36/360871836.db2.gz ZWVBPKGUIHVJHS-GFCCVEGCSA-N 1 2 277.372 1.095 20 30 CDEDLO CCn1nccc1C[N@@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000429722861 360871841 /nfs/dbraw/zinc/87/18/41/360871841.db2.gz ZWVBPKGUIHVJHS-GFCCVEGCSA-N 1 2 277.372 1.095 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C[C@@H](C)O1 ZINC000247599430 361144786 /nfs/dbraw/zinc/14/47/86/361144786.db2.gz OXGYAHCOWXKGTB-UXIGCNINSA-N 1 2 279.384 1.294 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C[C@@H](C)O1 ZINC000247599430 361144789 /nfs/dbraw/zinc/14/47/89/361144789.db2.gz OXGYAHCOWXKGTB-UXIGCNINSA-N 1 2 279.384 1.294 20 30 CDEDLO C=CCCC[N@@H+](C)Cc1nnnn1C1CCOCC1 ZINC000433259696 361224677 /nfs/dbraw/zinc/22/46/77/361224677.db2.gz XBCXUPVZDUOALG-UHFFFAOYSA-N 1 2 265.361 1.423 20 30 CDEDLO C=CCCC[N@H+](C)Cc1nnnn1C1CCOCC1 ZINC000433259696 361224684 /nfs/dbraw/zinc/22/46/84/361224684.db2.gz XBCXUPVZDUOALG-UHFFFAOYSA-N 1 2 265.361 1.423 20 30 CDEDLO C[N@H+](CC(=O)NC(=O)Nc1ccccc1)CC(C)(C)C#N ZINC000433312122 361233181 /nfs/dbraw/zinc/23/31/81/361233181.db2.gz KGTQQWBKPQVCRJ-UHFFFAOYSA-N 1 2 288.351 1.816 20 30 CDEDLO C[N@@H+](CC(=O)NC(=O)Nc1ccccc1)CC(C)(C)C#N ZINC000433312122 361233185 /nfs/dbraw/zinc/23/31/85/361233185.db2.gz KGTQQWBKPQVCRJ-UHFFFAOYSA-N 1 2 288.351 1.816 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)Cc1cnc(N2CCCC2)nc1 ZINC000536641463 361312831 /nfs/dbraw/zinc/31/28/31/361312831.db2.gz KYYDXPISXUPDOR-GFCCVEGCSA-N 1 2 259.357 1.668 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)Cc1cnc(N2CCCC2)nc1 ZINC000536641463 361312837 /nfs/dbraw/zinc/31/28/37/361312837.db2.gz KYYDXPISXUPDOR-GFCCVEGCSA-N 1 2 259.357 1.668 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427988363 361315952 /nfs/dbraw/zinc/31/59/52/361315952.db2.gz CXFKWWVVZBRVEM-NWDGAFQWSA-N 1 2 263.341 1.295 20 30 CDEDLO C[C@@H](Oc1ccccc1F)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000566306477 370679223 /nfs/dbraw/zinc/67/92/23/370679223.db2.gz QWIXQPFONCXBJN-ABAIWWIYSA-N 1 2 293.342 1.553 20 30 CDEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cccc3c2OCO3)C1 ZINC000329316887 361477160 /nfs/dbraw/zinc/47/71/60/361477160.db2.gz FCOQHJHJSSCCML-LLVKDONJSA-N 1 2 264.281 1.334 20 30 CDEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2cccc3c2OCO3)C1 ZINC000329316887 361477161 /nfs/dbraw/zinc/47/71/61/361477161.db2.gz FCOQHJHJSSCCML-LLVKDONJSA-N 1 2 264.281 1.334 20 30 CDEDLO O=C(N[C@H]1CCCOC1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000329359668 361488892 /nfs/dbraw/zinc/48/88/92/361488892.db2.gz BWBDXDSAINYOEK-KBPBESRZSA-N 1 2 282.384 1.623 20 30 CDEDLO O=C(N[C@H]1CCCOC1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000329359668 361488897 /nfs/dbraw/zinc/48/88/97/361488897.db2.gz BWBDXDSAINYOEK-KBPBESRZSA-N 1 2 282.384 1.623 20 30 CDEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN([C@@H](C)CCC#N)CC1 ZINC000351471538 361691160 /nfs/dbraw/zinc/69/11/60/361691160.db2.gz KGKONDHIZRXIFM-LSDHHAIUSA-N 1 2 292.427 1.307 20 30 CDEDLO C[C@H]1[C@H](NS(=O)(=O)c2ccc(C#N)s2)CCC[N@@H+]1C ZINC000435436003 291310391 /nfs/dbraw/zinc/31/03/91/291310391.db2.gz CZHONRNCGPDISD-GXSJLCMTSA-N 1 2 299.421 1.381 20 30 CDEDLO C[C@H]1[C@H](NS(=O)(=O)c2ccc(C#N)s2)CCC[N@H+]1C ZINC000435436003 291310392 /nfs/dbraw/zinc/31/03/92/291310392.db2.gz CZHONRNCGPDISD-GXSJLCMTSA-N 1 2 299.421 1.381 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000490877611 364440988 /nfs/dbraw/zinc/44/09/88/364440988.db2.gz YOEFEDPUJCAPRK-SECBINFHSA-N 1 2 260.259 1.319 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000490877611 364440996 /nfs/dbraw/zinc/44/09/96/364440996.db2.gz YOEFEDPUJCAPRK-SECBINFHSA-N 1 2 260.259 1.319 20 30 CDEDLO C=C[C@H]1CCCCN1c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000580148175 364716669 /nfs/dbraw/zinc/71/66/69/364716669.db2.gz MBSSGALMCZSBSK-UONOGXRCSA-N 1 2 288.395 1.983 20 30 CDEDLO C=C[C@H]1CCCCN1c1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000580148175 364716673 /nfs/dbraw/zinc/71/66/73/364716673.db2.gz MBSSGALMCZSBSK-UONOGXRCSA-N 1 2 288.395 1.983 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)NCCC(C)C)nn1 ZINC000640906336 364733818 /nfs/dbraw/zinc/73/38/18/364733818.db2.gz RJYBQFDSESHSGL-CYBMUJFWSA-N 1 2 291.399 1.114 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000368466490 364763142 /nfs/dbraw/zinc/76/31/42/364763142.db2.gz MNJOIPOQSNGBCM-OKILXGFUSA-N 1 2 258.321 1.930 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000368466490 364763147 /nfs/dbraw/zinc/76/31/47/364763147.db2.gz MNJOIPOQSNGBCM-OKILXGFUSA-N 1 2 258.321 1.930 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H](C(N)=O)C1 ZINC000249547128 364860904 /nfs/dbraw/zinc/86/09/04/364860904.db2.gz GMVDNHHDOXMBEE-IINYFYTJSA-N 1 2 275.327 1.783 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H](C(N)=O)C1 ZINC000249547128 364860906 /nfs/dbraw/zinc/86/09/06/364860906.db2.gz GMVDNHHDOXMBEE-IINYFYTJSA-N 1 2 275.327 1.783 20 30 CDEDLO C[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000340951003 364930541 /nfs/dbraw/zinc/93/05/41/364930541.db2.gz IAHIIAJPJIRAKQ-WCBMZHEXSA-N 1 2 265.338 1.013 20 30 CDEDLO C[C@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1sccc1C#N ZINC000340951003 364930547 /nfs/dbraw/zinc/93/05/47/364930547.db2.gz IAHIIAJPJIRAKQ-WCBMZHEXSA-N 1 2 265.338 1.013 20 30 CDEDLO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000298589279 364968209 /nfs/dbraw/zinc/96/82/09/364968209.db2.gz XRVDNFAOSXCIIL-ZDUSSCGKSA-N 1 2 292.404 1.815 20 30 CDEDLO CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000298589279 364968218 /nfs/dbraw/zinc/96/82/18/364968218.db2.gz XRVDNFAOSXCIIL-ZDUSSCGKSA-N 1 2 292.404 1.815 20 30 CDEDLO C=CCC1(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CCC1 ZINC000362224263 365144854 /nfs/dbraw/zinc/14/48/54/365144854.db2.gz PIBFRQSMYQKGMC-AWEZNQCLSA-N 1 2 280.412 1.912 20 30 CDEDLO Cc1ccnc(NC(C)(C)C[NH+]2CCOCC2)c1C#N ZINC000308664971 366935889 /nfs/dbraw/zinc/93/58/89/366935889.db2.gz RKIMRADFLDDIEE-UHFFFAOYSA-N 1 2 274.368 1.784 20 30 CDEDLO Cc1ccc(C#N)c(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)n1 ZINC000161208478 367599266 /nfs/dbraw/zinc/59/92/66/367599266.db2.gz ODDZFUKAKFDMKQ-STQMWFEESA-N 1 2 274.368 1.783 20 30 CDEDLO CC(C)N1CC[N@H+](CCOc2ccc(C#N)cc2)CC1=O ZINC000272514140 367747624 /nfs/dbraw/zinc/74/76/24/367747624.db2.gz GQEZEQAKZMDZDI-UHFFFAOYSA-N 1 2 287.363 1.490 20 30 CDEDLO CC(C)N1CC[N@@H+](CCOc2ccc(C#N)cc2)CC1=O ZINC000272514140 367747634 /nfs/dbraw/zinc/74/76/34/367747634.db2.gz GQEZEQAKZMDZDI-UHFFFAOYSA-N 1 2 287.363 1.490 20 30 CDEDLO COC(=O)[C@@H]([NH2+]CCOc1ccc(C#N)cc1)C1CC1 ZINC000272732530 367813681 /nfs/dbraw/zinc/81/36/81/367813681.db2.gz ATRGIMUFODMLKN-AWEZNQCLSA-N 1 2 274.320 1.478 20 30 CDEDLO COCCc1noc(CC2CC[NH+](CCC#N)CC2)n1 ZINC000528617461 367921016 /nfs/dbraw/zinc/92/10/16/367921016.db2.gz GOHUVDZJOXYGCV-UHFFFAOYSA-N 1 2 278.356 1.427 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCc3nc(C4CC4)ncc3C2)C1=O ZINC000528736752 367964327 /nfs/dbraw/zinc/96/43/27/367964327.db2.gz BDYCPDLHKQFKGG-OAHLLOKOSA-N 1 2 298.390 1.499 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCc3nc(C4CC4)ncc3C2)C1=O ZINC000528736752 367964331 /nfs/dbraw/zinc/96/43/31/367964331.db2.gz BDYCPDLHKQFKGG-OAHLLOKOSA-N 1 2 298.390 1.499 20 30 CDEDLO C#CC[N@@H+](Cc1cc(C)ccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000066537630 368354995 /nfs/dbraw/zinc/35/49/95/368354995.db2.gz IMNAUENHCUPIAD-INIZCTEOSA-N 1 2 291.416 1.926 20 30 CDEDLO C#CC[N@H+](Cc1cc(C)ccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000066537630 368354998 /nfs/dbraw/zinc/35/49/98/368354998.db2.gz IMNAUENHCUPIAD-INIZCTEOSA-N 1 2 291.416 1.926 20 30 CDEDLO C=CCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067645701 368375735 /nfs/dbraw/zinc/37/57/35/368375735.db2.gz KPVGGWKZUYAEFK-UHFFFAOYSA-N 1 2 274.299 1.997 20 30 CDEDLO Cc1ccc(C#N)c(N[C@H](C)C[NH+]2CCN(C)CC2)n1 ZINC000161330237 370211881 /nfs/dbraw/zinc/21/18/81/370211881.db2.gz UDGAXFHTDUXNOS-CYBMUJFWSA-N 1 2 273.384 1.310 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(Cl)cc1 ZINC000564870504 370282932 /nfs/dbraw/zinc/28/29/32/370282932.db2.gz AMZXOIMBAQKNQM-ZDUSSCGKSA-N 1 2 265.744 1.914 20 30 CDEDLO C[C@H](O)CNc1cc(N2CCC(CCC#N)CC2)nc[nH+]1 ZINC000564904741 370294480 /nfs/dbraw/zinc/29/44/80/370294480.db2.gz OCAVMXOXBFOMMW-LBPRGKRZSA-N 1 2 289.383 1.789 20 30 CDEDLO C[C@H](O)CNc1cc(N2CCC(CCC#N)CC2)[nH+]cn1 ZINC000564904741 370294485 /nfs/dbraw/zinc/29/44/85/370294485.db2.gz OCAVMXOXBFOMMW-LBPRGKRZSA-N 1 2 289.383 1.789 20 30 CDEDLO CC#CC[N@H+](C)CCCS(=O)(=O)c1ccccc1 ZINC000293138088 370527735 /nfs/dbraw/zinc/52/77/35/370527735.db2.gz NJJUUHHRSISBJF-UHFFFAOYSA-N 1 2 265.378 1.806 20 30 CDEDLO CC#CC[N@@H+](C)CCCS(=O)(=O)c1ccccc1 ZINC000293138088 370527741 /nfs/dbraw/zinc/52/77/41/370527741.db2.gz NJJUUHHRSISBJF-UHFFFAOYSA-N 1 2 265.378 1.806 20 30 CDEDLO C#CC[N@H+](Cc1ccc(F)cc1)C[C@@H](C)CS(C)(=O)=O ZINC000163179057 370619418 /nfs/dbraw/zinc/61/94/18/370619418.db2.gz JBRWFFNYKPQRCK-CYBMUJFWSA-N 1 2 297.395 1.942 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H](C)CS(C)(=O)=O ZINC000163179057 370619420 /nfs/dbraw/zinc/61/94/20/370619420.db2.gz JBRWFFNYKPQRCK-CYBMUJFWSA-N 1 2 297.395 1.942 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000566183918 370638965 /nfs/dbraw/zinc/63/89/65/370638965.db2.gz DZNYWPJHBZMGOO-HIFRSBDPSA-N 1 2 293.411 1.684 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000566183918 370638971 /nfs/dbraw/zinc/63/89/71/370638971.db2.gz DZNYWPJHBZMGOO-HIFRSBDPSA-N 1 2 293.411 1.684 20 30 CDEDLO CC(C)n1nccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000567617319 371066761 /nfs/dbraw/zinc/06/67/61/371066761.db2.gz GENFWPKWKRDWTK-ZDUSSCGKSA-N 1 2 263.345 1.038 20 30 CDEDLO Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000578632079 372524055 /nfs/dbraw/zinc/52/40/55/372524055.db2.gz KEUFPKHEGLDTBT-BONVTDFDSA-N 1 2 291.399 1.101 20 30 CDEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)sc1C ZINC000578940421 372548984 /nfs/dbraw/zinc/54/89/84/372548984.db2.gz BJQNYJCMWJIWBZ-CYBMUJFWSA-N 1 2 265.382 1.939 20 30 CDEDLO C#CC[NH+](CC#C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000174523154 372592696 /nfs/dbraw/zinc/59/26/96/372592696.db2.gz DUQBBGDJWNVXLH-HNNXBMFYSA-N 1 2 268.316 1.580 20 30 CDEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000193319396 372693899 /nfs/dbraw/zinc/69/38/99/372693899.db2.gz AIXINRAYVKBIKA-ZDUSSCGKSA-N 1 2 299.378 1.581 20 30 CDEDLO Cc1noc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)n1 ZINC000348074423 372978154 /nfs/dbraw/zinc/97/81/54/372978154.db2.gz HRSINLWJEBHFQF-ZJUUUORDSA-N 1 2 299.334 1.928 20 30 CDEDLO Cc1cc(N[C@@H]2CCc3[nH]c[nH+]c3C2)c(C#N)cn1 ZINC000333471166 205349463 /nfs/dbraw/zinc/34/94/63/205349463.db2.gz NQPXPYRNPVZLMR-LLVKDONJSA-N 1 2 253.309 1.376 20 30 CDEDLO Cc1cc(N[C@@H]2CCc3[nH+]c[nH]c3C2)c(C#N)cn1 ZINC000333471166 205349467 /nfs/dbraw/zinc/34/94/67/205349467.db2.gz NQPXPYRNPVZLMR-LLVKDONJSA-N 1 2 253.309 1.376 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@](F)(C#N)C1 ZINC000615595917 373498878 /nfs/dbraw/zinc/49/88/78/373498878.db2.gz VLJSXWXLHLTWRB-HNNXBMFYSA-N 1 2 286.310 1.809 20 30 CDEDLO CN(Cc1ccc(C#N)cc1)C(=O)CCn1cc[nH+]c1 ZINC000299590263 373916065 /nfs/dbraw/zinc/91/60/65/373916065.db2.gz KSQXFFFMUVYILI-UHFFFAOYSA-N 1 2 268.320 1.803 20 30 CDEDLO Cn1c(CCn2cnc(C#N)n2)[nH+]c2ccccc21 ZINC000357679851 373929018 /nfs/dbraw/zinc/92/90/18/373929018.db2.gz VOLYAYJVGXIVQH-UHFFFAOYSA-N 1 2 252.281 1.279 20 30 CDEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccccn2)C(N)=O)cc1 ZINC000360068400 373998412 /nfs/dbraw/zinc/99/84/12/373998412.db2.gz IOLBSICQDBGRIB-CQSZACIVSA-N 1 2 266.304 1.269 20 30 CDEDLO N#Cc1ccc([C@@H]([NH2+]Cc2cccnc2)C(N)=O)cc1 ZINC000360072598 373999230 /nfs/dbraw/zinc/99/92/30/373999230.db2.gz AZBXHNMNSFDCRQ-CQSZACIVSA-N 1 2 266.304 1.269 20 30 CDEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000368889240 374335227 /nfs/dbraw/zinc/33/52/27/374335227.db2.gz PWGGDHWLBLFBLB-CQSZACIVSA-N 1 2 296.334 1.035 20 30 CDEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000368889240 374335232 /nfs/dbraw/zinc/33/52/32/374335232.db2.gz PWGGDHWLBLFBLB-CQSZACIVSA-N 1 2 296.334 1.035 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)Nc1cccc(C#N)c1 ZINC000080526827 374469763 /nfs/dbraw/zinc/46/97/63/374469763.db2.gz OIBAWVLQAZYKLU-UHFFFAOYSA-N 1 2 255.281 1.945 20 30 CDEDLO C=CCOc1ccc(C(=O)NCCn2cc[nH+]c2)cc1 ZINC000045196955 412829563 /nfs/dbraw/zinc/82/95/63/412829563.db2.gz DQQJBHPRMPMYFV-UHFFFAOYSA-N 1 2 271.320 1.878 20 30 CDEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccnc(C#N)c3)n2)C1 ZINC000280158685 374984041 /nfs/dbraw/zinc/98/40/41/374984041.db2.gz AWUIROZYXZKASW-CYBMUJFWSA-N 1 2 299.334 1.785 20 30 CDEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccnc(C#N)c3)n2)C1 ZINC000280158685 374984050 /nfs/dbraw/zinc/98/40/50/374984050.db2.gz AWUIROZYXZKASW-CYBMUJFWSA-N 1 2 299.334 1.785 20 30 CDEDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000160807369 375499019 /nfs/dbraw/zinc/49/90/19/375499019.db2.gz WDBMZASIXINVER-CQSZACIVSA-N 1 2 275.327 1.798 20 30 CDEDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000160807369 375499021 /nfs/dbraw/zinc/49/90/21/375499021.db2.gz WDBMZASIXINVER-CQSZACIVSA-N 1 2 275.327 1.798 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000135026073 375672854 /nfs/dbraw/zinc/67/28/54/375672854.db2.gz JKJHIAGDBLNJCC-INIZCTEOSA-N 1 2 290.411 1.667 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1CCCN(CC(F)F)CC1 ZINC000245581551 376098063 /nfs/dbraw/zinc/09/80/63/376098063.db2.gz HLPNFNFLCKEFDI-GFCCVEGCSA-N 1 2 270.327 1.703 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000245581551 376098065 /nfs/dbraw/zinc/09/80/65/376098065.db2.gz HLPNFNFLCKEFDI-GFCCVEGCSA-N 1 2 270.327 1.703 20 30 CDEDLO CC(C)NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1F ZINC000053897080 376594542 /nfs/dbraw/zinc/59/45/42/376594542.db2.gz LAWBISRCTKTDGV-UHFFFAOYSA-N 1 2 263.316 1.654 20 30 CDEDLO CC(C)NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000053897080 376594547 /nfs/dbraw/zinc/59/45/47/376594547.db2.gz LAWBISRCTKTDGV-UHFFFAOYSA-N 1 2 263.316 1.654 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000563709137 377465902 /nfs/dbraw/zinc/46/59/02/377465902.db2.gz SUCVBQMXKGSPKU-AWEZNQCLSA-N 1 2 279.384 1.249 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000563709137 377465913 /nfs/dbraw/zinc/46/59/13/377465913.db2.gz SUCVBQMXKGSPKU-AWEZNQCLSA-N 1 2 279.384 1.249 20 30 CDEDLO CCC[C@H]1C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000131599286 377688291 /nfs/dbraw/zinc/68/82/91/377688291.db2.gz KDSRTUCYOLPEOQ-STQMWFEESA-N 1 2 267.373 1.248 20 30 CDEDLO CCC[C@H]1C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000131599286 377688298 /nfs/dbraw/zinc/68/82/98/377688298.db2.gz KDSRTUCYOLPEOQ-STQMWFEESA-N 1 2 267.373 1.248 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000280351746 377950263 /nfs/dbraw/zinc/95/02/63/377950263.db2.gz JAQYWMCGGZQPLC-HOCLYGCPSA-N 1 2 294.395 1.067 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000280351746 377950267 /nfs/dbraw/zinc/95/02/67/377950267.db2.gz JAQYWMCGGZQPLC-HOCLYGCPSA-N 1 2 294.395 1.067 20 30 CDEDLO C#CCNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000058482838 377902171 /nfs/dbraw/zinc/90/21/71/377902171.db2.gz QGMNLLGNHLZLKF-UHFFFAOYSA-N 1 2 261.325 1.482 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@@H](COC)C2)cc1 ZINC000093528950 378084471 /nfs/dbraw/zinc/08/44/71/378084471.db2.gz VTRSJXQVGMUAEX-MRXNPFEDSA-N 1 2 275.348 1.546 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCO[C@@H](COC)C2)cc1 ZINC000093528950 378084477 /nfs/dbraw/zinc/08/44/77/378084477.db2.gz VTRSJXQVGMUAEX-MRXNPFEDSA-N 1 2 275.348 1.546 20 30 CDEDLO CC#CC[NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000135262866 378181262 /nfs/dbraw/zinc/18/12/62/378181262.db2.gz RXHBJXKWQXEQCL-CQSZACIVSA-N 1 2 260.312 1.758 20 30 CDEDLO OC[C@@]1(F)CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000287068731 378242448 /nfs/dbraw/zinc/24/24/48/378242448.db2.gz UVGCLNYSNAGTNS-OAHLLOKOSA-N 1 2 265.303 1.974 20 30 CDEDLO OC[C@@]1(F)CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000287068731 378242453 /nfs/dbraw/zinc/24/24/53/378242453.db2.gz UVGCLNYSNAGTNS-OAHLLOKOSA-N 1 2 265.303 1.974 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCCCNc1cccc[nH+]1 ZINC000291226217 378438068 /nfs/dbraw/zinc/43/80/68/378438068.db2.gz IHQYRJPUXLMSKS-AWEZNQCLSA-N 1 2 263.341 1.327 20 30 CDEDLO C#CC[N@H+](CC)CCCS(=O)(=O)c1ccccc1 ZINC000266959755 190293883 /nfs/dbraw/zinc/29/38/83/190293883.db2.gz WJJQLNPBTQVMRT-UHFFFAOYSA-N 1 2 265.378 1.806 20 30 CDEDLO C#CC[N@@H+](CC)CCCS(=O)(=O)c1ccccc1 ZINC000266959755 190293884 /nfs/dbraw/zinc/29/38/84/190293884.db2.gz WJJQLNPBTQVMRT-UHFFFAOYSA-N 1 2 265.378 1.806 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1nc(-c2ccc(C)cc2)no1 ZINC000662167957 412918345 /nfs/dbraw/zinc/91/83/45/412918345.db2.gz VDUVISWTFOZMON-GFCCVEGCSA-N 1 2 259.309 1.682 20 30 CDEDLO C#Cc1ccc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000280922063 195029834 /nfs/dbraw/zinc/02/98/34/195029834.db2.gz GLMWDNBHHJEPFH-AWEZNQCLSA-N 1 2 263.362 1.287 20 30 CDEDLO C#Cc1ccc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000280922063 195029835 /nfs/dbraw/zinc/02/98/35/195029835.db2.gz GLMWDNBHHJEPFH-AWEZNQCLSA-N 1 2 263.362 1.287 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(N(C)C)s2)C1=O ZINC000281223254 195155386 /nfs/dbraw/zinc/15/53/86/195155386.db2.gz KLTKLGCVGBZZPJ-LBPRGKRZSA-N 1 2 294.424 1.428 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(N(C)C)s2)C1=O ZINC000281223254 195155388 /nfs/dbraw/zinc/15/53/88/195155388.db2.gz KLTKLGCVGBZZPJ-LBPRGKRZSA-N 1 2 294.424 1.428 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(C#N)s2)C1=O ZINC000281416483 195232501 /nfs/dbraw/zinc/23/25/01/195232501.db2.gz YRIPBFCGMRPVQT-CYBMUJFWSA-N 1 2 275.377 1.838 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C1=O ZINC000281416483 195232503 /nfs/dbraw/zinc/23/25/03/195232503.db2.gz YRIPBFCGMRPVQT-CYBMUJFWSA-N 1 2 275.377 1.838 20 30 CDEDLO N#C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1CCCCC1 ZINC000189213618 262169136 /nfs/dbraw/zinc/16/91/36/262169136.db2.gz RSRYUFGNWHHDCN-ZDUSSCGKSA-N 1 2 260.341 1.931 20 30 CDEDLO N#C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1CCCCC1 ZINC000189213618 262169138 /nfs/dbraw/zinc/16/91/38/262169138.db2.gz RSRYUFGNWHHDCN-ZDUSSCGKSA-N 1 2 260.341 1.931 20 30 CDEDLO CC1(CO)CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000186932765 390157998 /nfs/dbraw/zinc/15/79/98/390157998.db2.gz MSNTXRHOSFDWHU-UHFFFAOYSA-N 1 2 293.392 1.653 20 30 CDEDLO C=CCCOCC(=O)NCc1c[nH+]ccc1OC ZINC000647068907 390387620 /nfs/dbraw/zinc/38/76/20/390387620.db2.gz MHFDLYIDTNNWFI-UHFFFAOYSA-N 1 2 250.298 1.299 20 30 CDEDLO N#Cc1ccc(NC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000335741481 390791853 /nfs/dbraw/zinc/79/18/53/390791853.db2.gz PESFOBVEFBJHBD-UHFFFAOYSA-N 1 2 267.292 1.802 20 30 CDEDLO C#CCOCCC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000159687825 390940884 /nfs/dbraw/zinc/94/08/84/390940884.db2.gz HHFJLRNWUCBFQH-AWEZNQCLSA-N 1 2 289.379 1.241 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCOC2(CCC2)C1 ZINC000154343787 390912867 /nfs/dbraw/zinc/91/28/67/390912867.db2.gz URISBXMDJMWNBK-UHFFFAOYSA-N 1 2 264.369 1.442 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCOC2(CCC2)C1 ZINC000154343787 390912868 /nfs/dbraw/zinc/91/28/68/390912868.db2.gz URISBXMDJMWNBK-UHFFFAOYSA-N 1 2 264.369 1.442 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCC2CC2)cc1OC ZINC000124029896 390913000 /nfs/dbraw/zinc/91/30/00/390913000.db2.gz ZFDKIDFQRSCSRF-UHFFFAOYSA-N 1 2 250.298 1.751 20 30 CDEDLO N#Cc1cccc(NC(=O)NCC[NH+]2CCOCC2)c1 ZINC000069415072 391148944 /nfs/dbraw/zinc/14/89/44/391148944.db2.gz HSQALGIMCAHOCX-UHFFFAOYSA-N 1 2 274.324 1.012 20 30 CDEDLO N#CCC1(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000373818734 391133343 /nfs/dbraw/zinc/13/33/43/391133343.db2.gz IAHJGMCEALJWNM-AWEZNQCLSA-N 1 2 291.395 1.440 20 30 CDEDLO N#CCC1(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000373818734 391133348 /nfs/dbraw/zinc/13/33/48/391133348.db2.gz IAHJGMCEALJWNM-AWEZNQCLSA-N 1 2 291.395 1.440 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1ccccc1C(=O)N(C)C ZINC000491630989 391170524 /nfs/dbraw/zinc/17/05/24/391170524.db2.gz QYYKWNCEONKDPI-UHFFFAOYSA-N 1 2 268.360 1.847 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1ccccc1C(=O)N(C)C ZINC000491630989 391170526 /nfs/dbraw/zinc/17/05/26/391170526.db2.gz QYYKWNCEONKDPI-UHFFFAOYSA-N 1 2 268.360 1.847 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366175328 391228027 /nfs/dbraw/zinc/22/80/27/391228027.db2.gz YVQXEKXWTVKHQO-GXTWGEPZSA-N 1 2 281.400 1.504 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366175328 391228029 /nfs/dbraw/zinc/22/80/29/391228029.db2.gz YVQXEKXWTVKHQO-GXTWGEPZSA-N 1 2 281.400 1.504 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000366177135 391228048 /nfs/dbraw/zinc/22/80/48/391228048.db2.gz DNXJIZSVZIFLHL-QWHCGFSZSA-N 1 2 251.326 1.980 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000366177135 391228049 /nfs/dbraw/zinc/22/80/49/391228049.db2.gz DNXJIZSVZIFLHL-QWHCGFSZSA-N 1 2 251.326 1.980 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366175329 391228193 /nfs/dbraw/zinc/22/81/93/391228193.db2.gz YVQXEKXWTVKHQO-JSGCOSHPSA-N 1 2 281.400 1.504 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366175329 391228197 /nfs/dbraw/zinc/22/81/97/391228197.db2.gz YVQXEKXWTVKHQO-JSGCOSHPSA-N 1 2 281.400 1.504 20 30 CDEDLO C[C@H]1C[C@H](NC(=O)CNc2cccc(C#N)c2)c2[nH+]ccn21 ZINC000456435131 391284748 /nfs/dbraw/zinc/28/47/48/391284748.db2.gz VJFVOLNHDFELTB-FZMZJTMJSA-N 1 2 295.346 1.989 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N(C)Cc1[nH]cc[nH+]1)OCC ZINC000339373770 391290615 /nfs/dbraw/zinc/29/06/15/391290615.db2.gz OUFXHBDIPAMUAT-LLVKDONJSA-N 1 2 251.330 1.739 20 30 CDEDLO C#CCC[NH+]1CCN(c2cc(C(C)=O)ccc2C#N)CC1 ZINC000302088281 391293476 /nfs/dbraw/zinc/29/34/76/391293476.db2.gz FVXIKWDVCLGCSB-UHFFFAOYSA-N 1 2 281.359 1.906 20 30 CDEDLO C=CC[C@H](CC)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000346264648 391345794 /nfs/dbraw/zinc/34/57/94/391345794.db2.gz OBGOABHHQHPOBM-SOUVJXGZSA-N 1 2 295.427 1.846 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1sccc1C(=O)OCC ZINC000339761656 391351164 /nfs/dbraw/zinc/35/11/64/391351164.db2.gz UFUYJQNCQMIQNT-UHFFFAOYSA-N 1 2 294.376 1.818 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1sccc1C(=O)OCC ZINC000339761656 391351169 /nfs/dbraw/zinc/35/11/69/391351169.db2.gz UFUYJQNCQMIQNT-UHFFFAOYSA-N 1 2 294.376 1.818 20 30 CDEDLO Cc1[nH]c(C(=O)NCCC2CCS(=O)(=O)CC2)c[nH+]1 ZINC000328989377 391402829 /nfs/dbraw/zinc/40/28/29/391402829.db2.gz HUOGPBXAPFKRCM-UHFFFAOYSA-N 1 2 285.369 1.238 20 30 CDEDLO CC[C@H](C(=O)N[C@@H](C)CC#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000330462342 391426445 /nfs/dbraw/zinc/42/64/45/391426445.db2.gz TUUMKBYKIIDOJU-YNEHKIRRSA-N 1 2 267.373 1.294 20 30 CDEDLO CC[C@H](C(=O)N[C@@H](C)CC#N)[N@H+]1CCO[C@H](CC)C1 ZINC000330462342 391426450 /nfs/dbraw/zinc/42/64/50/391426450.db2.gz TUUMKBYKIIDOJU-YNEHKIRRSA-N 1 2 267.373 1.294 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000339888892 391434275 /nfs/dbraw/zinc/43/42/75/391434275.db2.gz LVDYKJOVPPGZEL-UHFFFAOYSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000339888892 391434278 /nfs/dbraw/zinc/43/42/78/391434278.db2.gz LVDYKJOVPPGZEL-UHFFFAOYSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CCCC1(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000355656598 391462660 /nfs/dbraw/zinc/46/26/60/391462660.db2.gz JAAFYCWTAQHOFH-ZIAGYGMSSA-N 1 2 280.412 1.958 20 30 CDEDLO Cc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)ncc1C#N ZINC000457810153 391618790 /nfs/dbraw/zinc/61/87/90/391618790.db2.gz REKFZJIAMVJXAJ-CQSZACIVSA-N 1 2 295.346 1.876 20 30 CDEDLO C#C[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)C(C)C ZINC000281985295 391668132 /nfs/dbraw/zinc/66/81/32/391668132.db2.gz JPJGFIARWYWNJK-CYBMUJFWSA-N 1 2 255.321 1.651 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](CC(=O)OC)C2CCCC2)C1=O ZINC000282019972 391669085 /nfs/dbraw/zinc/66/90/85/391669085.db2.gz PDDFWCYKBJYPNK-CYBMUJFWSA-N 1 2 280.368 1.191 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](CC(=O)OC)C2CCCC2)C1=O ZINC000282019972 391669089 /nfs/dbraw/zinc/66/90/89/391669089.db2.gz PDDFWCYKBJYPNK-CYBMUJFWSA-N 1 2 280.368 1.191 20 30 CDEDLO Cc1cccn2c(CN3CCO[C@H](C#N)C3)c[nH+]c12 ZINC000093135728 391674945 /nfs/dbraw/zinc/67/49/45/391674945.db2.gz KUPAFENWCWSWSI-CYBMUJFWSA-N 1 2 256.309 1.367 20 30 CDEDLO COc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccc1Cl ZINC000519739758 391696622 /nfs/dbraw/zinc/69/66/22/391696622.db2.gz SXNKLUBMBIDVJI-CQSZACIVSA-N 1 2 295.770 1.922 20 30 CDEDLO N#Cc1cccc([C@H]2C[N@H+]([C@H]3CCCCNC3=O)CCO2)c1 ZINC000341805900 130068627 /nfs/dbraw/zinc/06/86/27/130068627.db2.gz COODNBRCTLHPJR-JKSUJKDBSA-N 1 2 299.374 1.600 20 30 CDEDLO N#Cc1cccc([C@H]2C[N@@H+]([C@H]3CCCCNC3=O)CCO2)c1 ZINC000341805900 130068631 /nfs/dbraw/zinc/06/86/31/130068631.db2.gz COODNBRCTLHPJR-JKSUJKDBSA-N 1 2 299.374 1.600 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1 ZINC000133161190 391918579 /nfs/dbraw/zinc/91/85/79/391918579.db2.gz HDNWQDIUMHRUBS-CABCVRRESA-N 1 2 269.348 1.801 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1 ZINC000133161190 391918587 /nfs/dbraw/zinc/91/85/87/391918587.db2.gz HDNWQDIUMHRUBS-CABCVRRESA-N 1 2 269.348 1.801 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000342989966 392074351 /nfs/dbraw/zinc/07/43/51/392074351.db2.gz IUIVPEJFZNEZHU-KBPBESRZSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000342989966 392074355 /nfs/dbraw/zinc/07/43/55/392074355.db2.gz IUIVPEJFZNEZHU-KBPBESRZSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CCCC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000343031377 392079411 /nfs/dbraw/zinc/07/94/11/392079411.db2.gz AOVKPYYQVQKYBH-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](O)C1 ZINC000152683946 392440542 /nfs/dbraw/zinc/44/05/42/392440542.db2.gz YUIZDYZVFFTYRP-NSHDSACASA-N 1 2 279.727 1.217 20 30 CDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](O)C1 ZINC000152683946 392440546 /nfs/dbraw/zinc/44/05/46/392440546.db2.gz YUIZDYZVFFTYRP-NSHDSACASA-N 1 2 279.727 1.217 20 30 CDEDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccc(C#N)c(C)c2)CCO1 ZINC000488203245 392611602 /nfs/dbraw/zinc/61/16/02/392611602.db2.gz UZDARZXQUOOIDA-OAHLLOKOSA-N 1 2 288.347 1.631 20 30 CDEDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(C)c2)CCO1 ZINC000488203245 392611607 /nfs/dbraw/zinc/61/16/07/392611607.db2.gz UZDARZXQUOOIDA-OAHLLOKOSA-N 1 2 288.347 1.631 20 30 CDEDLO C=C[C@H](O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000646689985 392660009 /nfs/dbraw/zinc/66/00/09/392660009.db2.gz CKKDWDXKGXXYPW-LBPRGKRZSA-N 1 2 257.293 1.573 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c(F)c1 ZINC000054986275 392725888 /nfs/dbraw/zinc/72/58/88/392725888.db2.gz CESXPOWSWUMNPX-HNNXBMFYSA-N 1 2 287.338 1.940 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)c(F)c1 ZINC000054986275 392725897 /nfs/dbraw/zinc/72/58/97/392725897.db2.gz CESXPOWSWUMNPX-HNNXBMFYSA-N 1 2 287.338 1.940 20 30 CDEDLO C=C[C@@H](O)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000646819727 392904792 /nfs/dbraw/zinc/90/47/92/392904792.db2.gz WQSFRRJOQDRIDG-VXGBXAGGSA-N 1 2 284.306 1.231 20 30 CDEDLO Cc1cc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)ccc1C#N ZINC000489009745 392865290 /nfs/dbraw/zinc/86/52/90/392865290.db2.gz KOJBRUYTDNJKSO-SWLSCSKDSA-N 1 2 260.337 1.448 20 30 CDEDLO Cc1cc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)ccc1C#N ZINC000489009745 392865293 /nfs/dbraw/zinc/86/52/93/392865293.db2.gz KOJBRUYTDNJKSO-SWLSCSKDSA-N 1 2 260.337 1.448 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)cc1O ZINC000527191559 392976886 /nfs/dbraw/zinc/97/68/86/392976886.db2.gz MHIBQSREEPNREG-UHFFFAOYSA-N 1 2 268.276 1.157 20 30 CDEDLO CSC[C@@H](CCO)Nc1cc(C)[nH+]cc1C#N ZINC000425223774 392997076 /nfs/dbraw/zinc/99/70/76/392997076.db2.gz CTXVPFXIDDTCOW-LLVKDONJSA-N 1 2 251.355 1.210 20 30 CDEDLO Cc1cc(N[C@H]2CC(=O)N(C(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000425231954 392999265 /nfs/dbraw/zinc/99/92/65/392999265.db2.gz NSBPDDWFXSSJRJ-LBPRGKRZSA-N 1 2 272.352 1.495 20 30 CDEDLO COc1ccncc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000431113670 393106801 /nfs/dbraw/zinc/10/68/01/393106801.db2.gz IIRFYRVCNXVZGD-HNNXBMFYSA-N 1 2 296.330 1.278 20 30 CDEDLO COCC#CC[NH+]1CCN(c2c(F)cccc2F)CC1 ZINC000645943897 393417221 /nfs/dbraw/zinc/41/72/21/393417221.db2.gz XSMZUFMNGGXEFE-UHFFFAOYSA-N 1 2 280.318 1.737 20 30 CDEDLO CN1CC[N@H+](Cc2cc(C#N)cs2)C(C)(C)C1=O ZINC000093642759 289059035 /nfs/dbraw/zinc/05/90/35/289059035.db2.gz NKFZTOAAKAWFTA-UHFFFAOYSA-N 1 2 263.366 1.672 20 30 CDEDLO CN1CC[N@@H+](Cc2cc(C#N)cs2)C(C)(C)C1=O ZINC000093642759 289059040 /nfs/dbraw/zinc/05/90/40/289059040.db2.gz NKFZTOAAKAWFTA-UHFFFAOYSA-N 1 2 263.366 1.672 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(C#N)c1 ZINC000047717882 146834624 /nfs/dbraw/zinc/83/46/24/146834624.db2.gz UZOJSGKCYABXFH-NSHDSACASA-N 1 2 269.308 1.965 20 30 CDEDLO CCC#C[C@@H](C)[N@@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000650099778 397719745 /nfs/dbraw/zinc/71/97/45/397719745.db2.gz LTMOPDWTFQVHLB-KGLIPLIRSA-N 1 2 269.410 1.689 20 30 CDEDLO CCC#C[C@@H](C)[N@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000650099778 397719747 /nfs/dbraw/zinc/71/97/47/397719747.db2.gz LTMOPDWTFQVHLB-KGLIPLIRSA-N 1 2 269.410 1.689 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](CC)OC[C@@H]1C ZINC000649730506 397914482 /nfs/dbraw/zinc/91/44/82/397914482.db2.gz SFISOFRSBYOJGM-UONOGXRCSA-N 1 2 266.385 1.686 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](CC)OC[C@@H]1C ZINC000649730506 397914484 /nfs/dbraw/zinc/91/44/84/397914484.db2.gz SFISOFRSBYOJGM-UONOGXRCSA-N 1 2 266.385 1.686 20 30 CDEDLO Cn1c[nH+]cc1CN(C#N)c1ccc(F)c(C#N)c1 ZINC000343841559 152322014 /nfs/dbraw/zinc/32/20/14/152322014.db2.gz OKYLKRKBVIEJHP-UHFFFAOYSA-N 1 2 255.256 1.919 20 30 CDEDLO CN(C)C(=O)NCC[N@H+](C)Cc1cccc(C#N)c1F ZINC000348919551 154006629 /nfs/dbraw/zinc/00/66/29/154006629.db2.gz NJZZXJQGOTYQOR-UHFFFAOYSA-N 1 2 278.331 1.400 20 30 CDEDLO CN(C)C(=O)NCC[N@@H+](C)Cc1cccc(C#N)c1F ZINC000348919551 154006632 /nfs/dbraw/zinc/00/66/32/154006632.db2.gz NJZZXJQGOTYQOR-UHFFFAOYSA-N 1 2 278.331 1.400 20 30 CDEDLO Cc1cn2cc(NC(=O)c3cnn(C)c3C#N)ccc2[nH+]1 ZINC000355547974 157111576 /nfs/dbraw/zinc/11/15/76/157111576.db2.gz SLUHQRHHUKPYBV-UHFFFAOYSA-N 1 2 280.291 1.500 20 30 CDEDLO CC(C)c1nnc([C@H](C)[NH2+]Cc2cc(C#N)n(C)c2)[nH]1 ZINC000359669430 158330093 /nfs/dbraw/zinc/33/00/93/158330093.db2.gz CZHMNJYWCVMCFC-JTQLQIEISA-N 1 2 272.356 1.989 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001665529156 1173008149 /nfs/dbraw/zinc/00/81/49/1173008149.db2.gz ABCHILPJHKTLFO-CQSZACIVSA-N 1 2 277.343 1.877 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001665529156 1173008155 /nfs/dbraw/zinc/00/81/55/1173008155.db2.gz ABCHILPJHKTLFO-CQSZACIVSA-N 1 2 277.343 1.877 20 30 CDEDLO Cc1cc(C[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)ccc1C#N ZINC000352984161 165077720 /nfs/dbraw/zinc/07/77/20/165077720.db2.gz IQNPCVVVBGNSIJ-LSDHHAIUSA-N 1 2 290.388 1.486 20 30 CDEDLO Cc1cc(C[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)ccc1C#N ZINC000352984161 165077722 /nfs/dbraw/zinc/07/77/22/165077722.db2.gz IQNPCVVVBGNSIJ-LSDHHAIUSA-N 1 2 290.388 1.486 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(O)CC1 ZINC000010053384 170396895 /nfs/dbraw/zinc/39/68/95/170396895.db2.gz IHZIMUBACUSYHB-NSHDSACASA-N 1 2 273.336 1.342 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000285245917 196232074 /nfs/dbraw/zinc/23/20/74/196232074.db2.gz PTLGPLVULJEYNT-KKUMJFAQSA-N 1 2 299.378 1.860 20 30 CDEDLO CC#CCCNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000664703358 413600112 /nfs/dbraw/zinc/60/01/12/413600112.db2.gz KWZCKVJGSSLKHN-UHFFFAOYSA-N 1 2 286.379 1.894 20 30 CDEDLO C=CC[C@H](CC)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661123650 413811151 /nfs/dbraw/zinc/81/11/51/413811151.db2.gz QPZJRLJBRORLOA-KBPBESRZSA-N 1 2 281.400 1.457 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H](C)C(=O)N[C@H](C)CC)nn1 ZINC000657335685 414197593 /nfs/dbraw/zinc/19/75/93/414197593.db2.gz SIHXATIPCHWUGA-NEPJUHHUSA-N 1 2 279.388 1.247 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H](CC(C)C)C(=O)NC)nn1 ZINC000657418254 414304907 /nfs/dbraw/zinc/30/49/07/414304907.db2.gz BWSHUEZFEXAPPZ-ZDUSSCGKSA-N 1 2 279.388 1.105 20 30 CDEDLO C=CC1CC[NH+](Cc2nc(-c3nn[nH]n3)cs2)CC1 ZINC001588527096 1173074035 /nfs/dbraw/zinc/07/40/35/1173074035.db2.gz BFXPVJWJWQPWNG-UHFFFAOYSA-N 1 2 276.369 1.721 20 30 CDEDLO Cn1cc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000347796807 226376379 /nfs/dbraw/zinc/37/63/79/226376379.db2.gz GYABWQZPGLYHPA-UHFFFAOYSA-N 1 2 294.280 1.975 20 30 CDEDLO O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1CCCCS1(=O)=O ZINC000329027514 227263321 /nfs/dbraw/zinc/26/33/21/227263321.db2.gz VZLZDFFCMSEXPG-NSHDSACASA-N 1 2 293.348 1.890 20 30 CDEDLO C[C@]1(NC(=O)NCc2cn3c([nH+]2)CCCC3)CCCOC1 ZINC000329160102 227332573 /nfs/dbraw/zinc/33/25/73/227332573.db2.gz XZIDWHRJGARNBA-HNNXBMFYSA-N 1 2 292.383 1.792 20 30 CDEDLO C[C@@H]1C[C@@H](O)CN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000329982141 228006206 /nfs/dbraw/zinc/00/62/06/228006206.db2.gz OOJFCUJVKVHNFU-ZYHUDNBSSA-N 1 2 274.324 1.203 20 30 CDEDLO C[C@H](NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCCOC1 ZINC000330191674 228061283 /nfs/dbraw/zinc/06/12/83/228061283.db2.gz NGNGAGVXVFGOJG-YNEHKIRRSA-N 1 2 292.383 1.517 20 30 CDEDLO C[C@H]([NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCCOC1 ZINC000330191674 228061285 /nfs/dbraw/zinc/06/12/85/228061285.db2.gz NGNGAGVXVFGOJG-YNEHKIRRSA-N 1 2 292.383 1.517 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)CCCCC#N)C1 ZINC000332405308 228158068 /nfs/dbraw/zinc/15/80/68/228158068.db2.gz LPSZTYQTUUQYIF-GFCCVEGCSA-N 1 2 296.396 1.233 20 30 CDEDLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000408019037 260172391 /nfs/dbraw/zinc/17/23/91/260172391.db2.gz WQVYZKWKFHBHQJ-HNNXBMFYSA-N 1 2 293.411 1.830 20 30 CDEDLO CC[C@@]1(C)COCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000408019037 260172392 /nfs/dbraw/zinc/17/23/92/260172392.db2.gz WQVYZKWKFHBHQJ-HNNXBMFYSA-N 1 2 293.411 1.830 20 30 CDEDLO CCS(=O)(=O)N(C)C1CC[NH+](CC2(C#N)CC2)CC1 ZINC000408109179 260235597 /nfs/dbraw/zinc/23/55/97/260235597.db2.gz DVLXMMLJPDQLGZ-UHFFFAOYSA-N 1 2 285.413 1.036 20 30 CDEDLO Cc1ncsc1C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000066562954 260247255 /nfs/dbraw/zinc/24/72/55/260247255.db2.gz DFKWIFXMMGPWIM-AWEZNQCLSA-N 1 2 294.424 1.938 20 30 CDEDLO Cc1ncsc1C[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000066562954 260247257 /nfs/dbraw/zinc/24/72/57/260247257.db2.gz DFKWIFXMMGPWIM-AWEZNQCLSA-N 1 2 294.424 1.938 20 30 CDEDLO Cc1n[nH]c(C)c1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000154756450 261094486 /nfs/dbraw/zinc/09/44/86/261094486.db2.gz AWLRIAUFBRXSPI-UHFFFAOYSA-N 1 2 291.399 1.074 20 30 CDEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(CCC#N)CC2)C1 ZINC000052687749 261117758 /nfs/dbraw/zinc/11/77/58/261117758.db2.gz KQPHBHWHYVRWEH-GASCZTMLSA-N 1 2 292.427 1.022 20 30 CDEDLO CCCCNC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158206319 261160968 /nfs/dbraw/zinc/16/09/68/261160968.db2.gz YMUDOUYRVBADNT-UHFFFAOYSA-N 1 2 291.351 1.175 20 30 CDEDLO CC[C@@]1(C)C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)CCO1 ZINC000248862974 261206126 /nfs/dbraw/zinc/20/61/26/261206126.db2.gz AHYBGMNFNSJLJD-LSDHHAIUSA-N 1 2 279.384 1.296 20 30 CDEDLO CC[C@@]1(C)C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CCO1 ZINC000248862974 261206128 /nfs/dbraw/zinc/20/61/28/261206128.db2.gz AHYBGMNFNSJLJD-LSDHHAIUSA-N 1 2 279.384 1.296 20 30 CDEDLO COCCO[NH+]=C(N)COc1cc(F)cc(F)c1 ZINC000186838985 262112079 /nfs/dbraw/zinc/11/20/79/262112079.db2.gz NRYJUPNQKBSLLE-UHFFFAOYSA-N 1 2 260.240 1.279 20 30 CDEDLO C[C@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000195443547 262250707 /nfs/dbraw/zinc/25/07/07/262250707.db2.gz PRURGRRKRFRCPA-SECBINFHSA-N 1 2 285.263 1.422 20 30 CDEDLO C#CC[N@@H+](CN1CC(=O)N(C)C1=O)[C@@H]1CCc2ccccc21 ZINC000182268823 262276061 /nfs/dbraw/zinc/27/60/61/262276061.db2.gz COXQSURTPGRKHF-OAHLLOKOSA-N 1 2 297.358 1.461 20 30 CDEDLO C#CC[N@H+](CN1CC(=O)N(C)C1=O)[C@@H]1CCc2ccccc21 ZINC000182268823 262276062 /nfs/dbraw/zinc/27/60/62/262276062.db2.gz COXQSURTPGRKHF-OAHLLOKOSA-N 1 2 297.358 1.461 20 30 CDEDLO CC#CC[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000160506797 262280172 /nfs/dbraw/zinc/28/01/72/262280172.db2.gz WMSHJEVEMFSBMX-UHFFFAOYSA-N 1 2 277.412 1.076 20 30 CDEDLO CSc1cccc(NC(=O)[C@@H](C)O[NH+]=C(N)CCO)c1 ZINC000275543929 263033613 /nfs/dbraw/zinc/03/36/13/263033613.db2.gz SWOBDJAYWWSYSN-SECBINFHSA-N 1 2 297.380 1.407 20 30 CDEDLO C=CCN1CC[C@H](O[NH+]=C(N)c2ccc(OC)cc2)C1=O ZINC000283504898 263082932 /nfs/dbraw/zinc/08/29/32/263082932.db2.gz JWWFWNWEDLYPKG-ZDUSSCGKSA-N 1 2 289.335 1.119 20 30 CDEDLO Cc1ccccc1NC(=O)[C@H](C)O[NH+]=C(N)[C@H]1CCCO1 ZINC000283904403 263084852 /nfs/dbraw/zinc/08/48/52/263084852.db2.gz DHYTVRPEVMEKLU-WCQYABFASA-N 1 2 291.351 1.790 20 30 CDEDLO CCN(C(=O)CO[NH+]=C(N)[C@H]1CCCO1)c1ccccc1 ZINC000284484496 263087070 /nfs/dbraw/zinc/08/70/70/263087070.db2.gz SAASQTYRYRTJHU-CYBMUJFWSA-N 1 2 291.351 1.507 20 30 CDEDLO N#Cc1cccc(OCCCO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000284527420 263087414 /nfs/dbraw/zinc/08/74/14/263087414.db2.gz UXETXUNUZQGFNR-AWEZNQCLSA-N 1 2 289.335 1.795 20 30 CDEDLO CN(Cc1ccccc1)C(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284532634 263087425 /nfs/dbraw/zinc/08/74/25/263087425.db2.gz VBECNUXGGWLFJX-ZDUSSCGKSA-N 1 2 291.351 1.113 20 30 CDEDLO CC(C)OCc1nc([C@H](C)[NH2+]CCCC#N)no1 ZINC000290079347 263114665 /nfs/dbraw/zinc/11/46/65/263114665.db2.gz YWRGREUSXRIROI-JTQLQIEISA-N 1 2 252.318 1.949 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C#N)CC12CCCC2 ZINC000294652142 263165330 /nfs/dbraw/zinc/16/53/30/263165330.db2.gz YORHIWWULYKQIP-IUODEOHRSA-N 1 2 272.352 1.862 20 30 CDEDLO C[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CC(=O)N1 ZINC000296115732 263186071 /nfs/dbraw/zinc/18/60/71/263186071.db2.gz HIWQHOUEXBWUMB-LBPRGKRZSA-N 1 2 271.364 1.808 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CC(=O)N1 ZINC000296115732 263186073 /nfs/dbraw/zinc/18/60/73/263186073.db2.gz HIWQHOUEXBWUMB-LBPRGKRZSA-N 1 2 271.364 1.808 20 30 CDEDLO CC(C)(CC#N)CS(=O)(=O)N1CCOc2cc[nH+]cc21 ZINC000296426608 263191385 /nfs/dbraw/zinc/19/13/85/263191385.db2.gz VEPJPOYPOQXNQF-UHFFFAOYSA-N 1 2 295.364 1.550 20 30 CDEDLO C[C@H](C(=O)NCc1cccs1)[N@@H+](C)C[C@H](C)C#N ZINC000299167934 263233802 /nfs/dbraw/zinc/23/38/02/263233802.db2.gz QCNKXXHZMACKHN-GHMZBOCLSA-N 1 2 265.382 1.844 20 30 CDEDLO C[C@H](C(=O)NCc1cccs1)[N@H+](C)C[C@H](C)C#N ZINC000299167934 263233803 /nfs/dbraw/zinc/23/38/03/263233803.db2.gz QCNKXXHZMACKHN-GHMZBOCLSA-N 1 2 265.382 1.844 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000299665619 263251532 /nfs/dbraw/zinc/25/15/32/263251532.db2.gz MLFCDJGDNJFAPX-UHFFFAOYSA-N 1 2 259.353 1.238 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)N(C)c1ccccc1C(=O)OC ZINC000121597985 263297674 /nfs/dbraw/zinc/29/76/74/263297674.db2.gz DUVHNZXAFUDABH-UHFFFAOYSA-N 1 2 276.336 1.554 20 30 CDEDLO C=CC[N@H+](C)CC(=O)N(C)c1ccccc1C(=O)OC ZINC000121597985 263297676 /nfs/dbraw/zinc/29/76/76/263297676.db2.gz DUVHNZXAFUDABH-UHFFFAOYSA-N 1 2 276.336 1.554 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NC(=O)CSCC#N)C1CC1 ZINC000341700035 263346811 /nfs/dbraw/zinc/34/68/11/263346811.db2.gz ZKFMXXMYCSTEKO-LLVKDONJSA-N 1 2 264.354 1.244 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000342048840 263383008 /nfs/dbraw/zinc/38/30/08/263383008.db2.gz NQUHRCCEPDVVMR-AWEZNQCLSA-N 1 2 290.411 1.667 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000342190873 263397535 /nfs/dbraw/zinc/39/75/35/263397535.db2.gz DEHUBWDUSDKZHR-CYBMUJFWSA-N 1 2 285.347 1.787 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCCNC1=O ZINC000328839852 263877323 /nfs/dbraw/zinc/87/73/23/263877323.db2.gz NYRRIRMBYLYETG-LLVKDONJSA-N 1 2 264.329 1.818 20 30 CDEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000330733078 264037322 /nfs/dbraw/zinc/03/73/22/264037322.db2.gz JWBVTERPDQRUGQ-STQMWFEESA-N 1 2 299.415 1.418 20 30 CDEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@H](C(C)C)C1 ZINC000330733078 264037323 /nfs/dbraw/zinc/03/73/23/264037323.db2.gz JWBVTERPDQRUGQ-STQMWFEESA-N 1 2 299.415 1.418 20 30 CDEDLO N#CCCNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000331155908 264140833 /nfs/dbraw/zinc/14/08/33/264140833.db2.gz PLROSKLSBJLOTA-UHFFFAOYSA-N 1 2 287.367 1.989 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1c(O)cccc1F ZINC000331229503 264152313 /nfs/dbraw/zinc/15/23/13/264152313.db2.gz HCIWYDSZLFDFSD-SNVBAGLBSA-N 1 2 282.315 1.557 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1c(O)cccc1F ZINC000331229503 264152315 /nfs/dbraw/zinc/15/23/15/264152315.db2.gz HCIWYDSZLFDFSD-SNVBAGLBSA-N 1 2 282.315 1.557 20 30 CDEDLO COc1cc(C(=O)NC(C)(C)C[NH+]2CCOCC2)on1 ZINC000331342906 264196062 /nfs/dbraw/zinc/19/60/62/264196062.db2.gz KWGYLTTZXYEDIO-UHFFFAOYSA-N 1 2 283.328 1.099 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](OCCOC)C2)nn1 ZINC000653593307 424309696 /nfs/dbraw/zinc/30/96/96/424309696.db2.gz WEEKNKSJJOKXCA-HNNXBMFYSA-N 1 2 294.399 1.482 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](OCCOC)C2)nn1 ZINC000653593307 424309704 /nfs/dbraw/zinc/30/97/04/424309704.db2.gz WEEKNKSJJOKXCA-HNNXBMFYSA-N 1 2 294.399 1.482 20 30 CDEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccncc2)CC1 ZINC000356435271 266113478 /nfs/dbraw/zinc/11/34/78/266113478.db2.gz PJJPCUMRMHNHRW-UHFFFAOYSA-N 1 2 258.325 1.068 20 30 CDEDLO C=CC[C@H](CC)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000358991905 266518694 /nfs/dbraw/zinc/51/86/94/266518694.db2.gz NCUPPWYNHNUAMF-RDBSUJKOSA-N 1 2 283.416 1.750 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000362795191 267046974 /nfs/dbraw/zinc/04/69/74/267046974.db2.gz HYTVWAMBTQYKIY-HOCLYGCPSA-N 1 2 299.374 1.974 20 30 CDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C1(C#N)CCC1 ZINC000367425922 267090365 /nfs/dbraw/zinc/09/03/65/267090365.db2.gz JQRSXTIJCUNURQ-OLZOCXBDSA-N 1 2 277.368 1.002 20 30 CDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CC(C)(C)C#N ZINC000367747884 267114764 /nfs/dbraw/zinc/11/47/64/267114764.db2.gz WUDKOTGUNWGLGC-QWHCGFSZSA-N 1 2 279.384 1.248 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C2(C#N)CCC2)C1 ZINC000369353227 267238273 /nfs/dbraw/zinc/23/82/73/267238273.db2.gz MTWGESICAIOQJC-LBPRGKRZSA-N 1 2 272.352 1.820 20 30 CDEDLO N#C[C@@H]1[N@H+](C[C@H]2CCOC2)CCC[C@]12CCCCO2 ZINC000369391148 267239309 /nfs/dbraw/zinc/23/93/09/267239309.db2.gz JGBURUKEWWKDGP-QLFBSQMISA-N 1 2 264.369 1.950 20 30 CDEDLO N#C[C@@H]1[N@@H+](C[C@H]2CCOC2)CCC[C@]12CCCCO2 ZINC000369391148 267239312 /nfs/dbraw/zinc/23/93/12/267239312.db2.gz JGBURUKEWWKDGP-QLFBSQMISA-N 1 2 264.369 1.950 20 30 CDEDLO N#CCCN(CC1CC1)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000377101123 268047370 /nfs/dbraw/zinc/04/73/70/268047370.db2.gz FDQSNJNNPRSKEQ-LBPRGKRZSA-N 1 2 272.352 1.982 20 30 CDEDLO CC(C)(C#N)CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000366914046 278256460 /nfs/dbraw/zinc/25/64/60/278256460.db2.gz VESJWCKUIBZOND-CYBMUJFWSA-N 1 2 279.384 1.249 20 30 CDEDLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192021411 279364231 /nfs/dbraw/zinc/36/42/31/279364231.db2.gz IUTRLGJNKFYQBG-SNVBAGLBSA-N 1 2 284.356 1.562 20 30 CDEDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192021411 279364233 /nfs/dbraw/zinc/36/42/33/279364233.db2.gz IUTRLGJNKFYQBG-SNVBAGLBSA-N 1 2 284.356 1.562 20 30 CDEDLO N#Cc1cccc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000151370145 289090443 /nfs/dbraw/zinc/09/04/43/289090443.db2.gz JQFVWVQXENQHNF-CQSZACIVSA-N 1 2 280.331 1.634 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000556660973 290276269 /nfs/dbraw/zinc/27/62/69/290276269.db2.gz BGPQSAYEZWIQHS-UHFFFAOYSA-N 1 2 291.314 1.839 20 30 CDEDLO O=C(N[C@H]1CCOC2(CCC2)C1)N1CCn2cc[nH+]c2C1 ZINC000330230654 295387312 /nfs/dbraw/zinc/38/73/12/295387312.db2.gz QQFPFHGFBFYBNA-LBPRGKRZSA-N 1 2 290.367 1.714 20 30 CDEDLO O=C(Cn1cc[nH+]c1)NCC#Cc1cccc(F)c1 ZINC000338245555 327973687 /nfs/dbraw/zinc/97/36/87/327973687.db2.gz RZDBMDCUTMVNAP-UHFFFAOYSA-N 1 2 257.268 1.190 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCC[N@@H+]1CCOC[C@@H]1C)OCC ZINC000339349148 328007834 /nfs/dbraw/zinc/00/78/34/328007834.db2.gz YSROAFDRBSPSLL-KBPBESRZSA-N 1 2 284.400 1.195 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCC[N@H+]1CCOC[C@@H]1C)OCC ZINC000339349148 328007836 /nfs/dbraw/zinc/00/78/36/328007836.db2.gz YSROAFDRBSPSLL-KBPBESRZSA-N 1 2 284.400 1.195 20 30 CDEDLO N#CCC1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000571448965 328122701 /nfs/dbraw/zinc/12/27/01/328122701.db2.gz DUDXUSKTMBJGDG-LLVKDONJSA-N 1 2 258.325 1.256 20 30 CDEDLO CCC(=CC(=O)N(CCC#N)CC[NH+]1CCOCC1)CC ZINC000268249775 328183480 /nfs/dbraw/zinc/18/34/80/328183480.db2.gz GYIHNUHWUDJRBQ-UHFFFAOYSA-N 1 2 293.411 1.807 20 30 CDEDLO Cc1ncc(CO)c(/C=[NH+]/CC2([C@H](O)C(C)C)CC2)c1O ZINC000271853076 328198079 /nfs/dbraw/zinc/19/80/79/328198079.db2.gz WSDAZQZGYKTBPX-WFHJXRGPSA-N 1 2 292.379 1.804 20 30 CDEDLO COCC[C@H](C)O[NH+]=C(N)COc1ccccc1F ZINC000275577831 328215460 /nfs/dbraw/zinc/21/54/60/328215460.db2.gz YVLXPCUUMKICER-JTQLQIEISA-N 1 2 270.304 1.918 20 30 CDEDLO CC(C)c1nnc(CO[NH+]=C(N)[C@@H]2CCCO2)o1 ZINC000284606076 328246290 /nfs/dbraw/zinc/24/62/90/328246290.db2.gz YTKAJPQVSMHJCU-QMMMGPOBSA-N 1 2 254.290 1.161 20 30 CDEDLO CCn1cc[nH+]c1CNc1n[nH]c(C2CC2)c1C#N ZINC000582881513 325061666 /nfs/dbraw/zinc/06/16/66/325061666.db2.gz ZIFGMAFDOZANSW-UHFFFAOYSA-N 1 2 256.313 1.409 20 30 CDEDLO CC1CC(C#N)(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000533578037 326867279 /nfs/dbraw/zinc/86/72/79/326867279.db2.gz MOLMLLUQVBBORC-MFOWVQHXSA-N 1 2 284.363 1.716 20 30 CDEDLO Cc1nc(C[N@@H+](C)C[C@H](C)NC(=O)C#CC2CC2)cs1 ZINC001754311081 1159105345 /nfs/dbraw/zinc/10/53/45/1159105345.db2.gz MTTKSNKBCUGWHQ-NSHDSACASA-N 1 2 291.420 1.801 20 30 CDEDLO Cc1nc(C[N@H+](C)C[C@H](C)NC(=O)C#CC2CC2)cs1 ZINC001754311081 1159105346 /nfs/dbraw/zinc/10/53/46/1159105346.db2.gz MTTKSNKBCUGWHQ-NSHDSACASA-N 1 2 291.420 1.801 20 30 CDEDLO CC(C)c1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)on1 ZINC000569461324 327180784 /nfs/dbraw/zinc/18/07/84/327180784.db2.gz QJAOKDVYXHGYMX-ZDUSSCGKSA-N 1 2 264.329 1.372 20 30 CDEDLO C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccccc1 ZINC000577283204 327257208 /nfs/dbraw/zinc/25/72/08/327257208.db2.gz OPNMZQPFGLOFJI-DOMZBBRYSA-N 1 2 259.353 1.750 20 30 CDEDLO NC(CN1CCOCC1)=[NH+]OCc1cccc2ccccc21 ZINC000111181829 327277412 /nfs/dbraw/zinc/27/74/12/327277412.db2.gz NTDYMGSDJXGHLJ-UHFFFAOYSA-N 1 2 299.374 1.961 20 30 CDEDLO C[C@@H](NC(=O)c1ccc(CC#N)cc1)c1[nH]cc[nH+]1 ZINC000560697782 327337121 /nfs/dbraw/zinc/33/71/21/327337121.db2.gz GGCDXGVNMKIQIX-SNVBAGLBSA-N 1 2 254.293 1.967 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000562341320 327473077 /nfs/dbraw/zinc/47/30/77/327473077.db2.gz FXAXUACBKALDBA-OLZOCXBDSA-N 1 2 274.368 1.948 20 30 CDEDLO CC[C@@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000171004989 329068973 /nfs/dbraw/zinc/06/89/73/329068973.db2.gz NKAXHDMQTNEGSC-NSHDSACASA-N 1 2 299.290 1.812 20 30 CDEDLO C=CCCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174494333 329159530 /nfs/dbraw/zinc/15/95/30/329159530.db2.gz AKXUWHJASQOBQO-CYBMUJFWSA-N 1 2 252.358 1.276 20 30 CDEDLO C=CCCCC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000175705650 329168156 /nfs/dbraw/zinc/16/81/56/329168156.db2.gz GFTVPWXCIDKNEX-CYBMUJFWSA-N 1 2 253.390 1.095 20 30 CDEDLO Cc1nn(C(C)C)cc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000582973226 329296868 /nfs/dbraw/zinc/29/68/68/329296868.db2.gz SDZDHUMAEIZRED-CQSZACIVSA-N 1 2 277.372 1.346 20 30 CDEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cnccn2)CC1 ZINC000564023577 329656204 /nfs/dbraw/zinc/65/62/04/329656204.db2.gz ZFEZWBXBJKWZEO-QGZVFWFLSA-N 1 2 293.374 1.859 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000195065871 329690135 /nfs/dbraw/zinc/69/01/35/329690135.db2.gz KQOJXADRULIXEE-TZMCWYRMSA-N 1 2 299.399 1.960 20 30 CDEDLO CC[C@@H]1C[NH+](CC(=O)N(CC)C[C@@H](C)C#N)C[C@@H](CC)O1 ZINC000420959244 329791654 /nfs/dbraw/zinc/79/16/54/329791654.db2.gz QCYUKTJQYNJITH-RRFJBIMHSA-N 1 2 295.427 1.884 20 30 CDEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1nncs1 ZINC000272342216 330085524 /nfs/dbraw/zinc/08/55/24/330085524.db2.gz YXCHAYXQDCGTIF-UHFFFAOYSA-N 1 2 292.364 1.800 20 30 CDEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1nncs1 ZINC000272342216 330085525 /nfs/dbraw/zinc/08/55/25/330085525.db2.gz YXCHAYXQDCGTIF-UHFFFAOYSA-N 1 2 292.364 1.800 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000527191517 330231855 /nfs/dbraw/zinc/23/18/55/330231855.db2.gz FCWLKVHIRKCWAP-JSGCOSHPSA-N 1 2 254.374 1.426 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000527191517 330231857 /nfs/dbraw/zinc/23/18/57/330231857.db2.gz FCWLKVHIRKCWAP-JSGCOSHPSA-N 1 2 254.374 1.426 20 30 CDEDLO CC(C)c1ncc(C[NH+]2CCN(CC#N)CC2)s1 ZINC000092936108 330415081 /nfs/dbraw/zinc/41/50/81/330415081.db2.gz WBWIUFZABGLBOC-UHFFFAOYSA-N 1 2 264.398 1.908 20 30 CDEDLO C=CC(C)(C)CNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000456119815 331184755 /nfs/dbraw/zinc/18/47/55/331184755.db2.gz TWSBAFAQZYXZPE-GFCCVEGCSA-N 1 2 264.373 1.351 20 30 CDEDLO CC#CCN(C)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000458761355 331259206 /nfs/dbraw/zinc/25/92/06/331259206.db2.gz HJYRQUVCFLMNJN-LBPRGKRZSA-N 1 2 260.341 1.536 20 30 CDEDLO C=C(C)CCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458997268 331265437 /nfs/dbraw/zinc/26/54/37/331265437.db2.gz JBTMNPKXHXKHQP-BETUJISGSA-N 1 2 267.373 1.115 20 30 CDEDLO C=C(C)CCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458997268 331265438 /nfs/dbraw/zinc/26/54/38/331265438.db2.gz JBTMNPKXHXKHQP-BETUJISGSA-N 1 2 267.373 1.115 20 30 CDEDLO C=C(CC)CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000459080678 331269555 /nfs/dbraw/zinc/26/95/55/331269555.db2.gz PXRAGWXEAZUOTD-AWEZNQCLSA-N 1 2 281.400 1.459 20 30 CDEDLO Cc1cccc2nc(C[NH2+][C@H]3CCC[C@@H]3C#N)cc(=O)n12 ZINC000459461747 331282743 /nfs/dbraw/zinc/28/27/43/331282743.db2.gz ISSBPWREUNJBAH-OCCSQVGLSA-N 1 2 282.347 1.785 20 30 CDEDLO C#CC[N@@H+](Cc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000490853117 332121072 /nfs/dbraw/zinc/12/10/72/332121072.db2.gz QHGRKEQNJPYFGT-OAHLLOKOSA-N 1 2 291.416 1.926 20 30 CDEDLO C#CC[N@H+](Cc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000490853117 332121074 /nfs/dbraw/zinc/12/10/74/332121074.db2.gz QHGRKEQNJPYFGT-OAHLLOKOSA-N 1 2 291.416 1.926 20 30 CDEDLO C#CC[NH+]1CCN(CN2CC[C@@H](c3ccccc3)C2=O)CC1 ZINC000490913747 332128366 /nfs/dbraw/zinc/12/83/66/332128366.db2.gz DXWVPBJOKKSJHM-KRWDZBQOSA-N 1 2 297.402 1.211 20 30 CDEDLO C#C[C@H](CCC)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000491230082 332170302 /nfs/dbraw/zinc/17/03/02/332170302.db2.gz KOUXEJBRLSRUQX-CYBMUJFWSA-N 1 2 281.400 1.198 20 30 CDEDLO C#CCN(C)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000491241231 332172563 /nfs/dbraw/zinc/17/25/63/332172563.db2.gz HTSVXHHYCBVMPI-UHFFFAOYSA-N 1 2 294.358 1.524 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)Nc1cc(N)ccc1F ZINC000491267023 332177620 /nfs/dbraw/zinc/17/76/20/332177620.db2.gz RNNDYLLWPCTFAN-GFCCVEGCSA-N 1 2 291.326 1.071 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1cc(N)ccc1F ZINC000491267023 332177621 /nfs/dbraw/zinc/17/76/21/332177621.db2.gz RNNDYLLWPCTFAN-GFCCVEGCSA-N 1 2 291.326 1.071 20 30 CDEDLO C#CCN(C(=O)C1CC[NH+](CC(F)F)CC1)C1CC1 ZINC000491268143 332178028 /nfs/dbraw/zinc/17/80/28/332178028.db2.gz XUNFYPLGUPNYLR-UHFFFAOYSA-N 1 2 270.323 1.588 20 30 CDEDLO C#CCNC(=O)C1CC[NH+]([C@@H](C)c2nnc(C)s2)CC1 ZINC000491419478 332208424 /nfs/dbraw/zinc/20/84/24/332208424.db2.gz UYVAKYZFTNSUJB-JTQLQIEISA-N 1 2 292.408 1.369 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000491453958 332214763 /nfs/dbraw/zinc/21/47/63/332214763.db2.gz USWZZUAVOZJESR-MRXNPFEDSA-N 1 2 268.360 1.669 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000491453958 332214765 /nfs/dbraw/zinc/21/47/65/332214765.db2.gz USWZZUAVOZJESR-MRXNPFEDSA-N 1 2 268.360 1.669 20 30 CDEDLO C#CCNC(=O)C1CC[NH+](Cn2cccnc2=S)CC1 ZINC000491462460 332215865 /nfs/dbraw/zinc/21/58/65/332215865.db2.gz IKSQCTIIWDGZJE-UHFFFAOYSA-N 1 2 290.392 1.031 20 30 CDEDLO C#C[C@@H](CC)NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000491625733 332249161 /nfs/dbraw/zinc/24/91/61/332249161.db2.gz HXIKWODJWKEASA-HNNXBMFYSA-N 1 2 286.379 1.321 20 30 CDEDLO C#CC[N@@H+](CCCCCF)[C@H]1CCS(=O)(=O)C1 ZINC000491689303 332286581 /nfs/dbraw/zinc/28/65/81/332286581.db2.gz HURQEHSKEJKJTG-LBPRGKRZSA-N 1 2 261.362 1.249 20 30 CDEDLO C#CC[N@H+](CCCCCF)[C@H]1CCS(=O)(=O)C1 ZINC000491689303 332286583 /nfs/dbraw/zinc/28/65/83/332286583.db2.gz HURQEHSKEJKJTG-LBPRGKRZSA-N 1 2 261.362 1.249 20 30 CDEDLO C#CCn1ccc(CN(CC)C(=O)CCc2[nH]cc[nH+]2)n1 ZINC000491724075 332308496 /nfs/dbraw/zinc/30/84/96/332308496.db2.gz ARNHYKJEEYZKAG-UHFFFAOYSA-N 1 2 285.351 1.221 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000491773779 332339769 /nfs/dbraw/zinc/33/97/69/332339769.db2.gz CJFDTJHVXTVWIF-ZYHUDNBSSA-N 1 2 260.341 1.534 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000491782033 332345971 /nfs/dbraw/zinc/34/59/71/332345971.db2.gz NGXNXZUGOOUDBH-ZDUSSCGKSA-N 1 2 258.365 1.991 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000491782033 332345973 /nfs/dbraw/zinc/34/59/73/332345973.db2.gz NGXNXZUGOOUDBH-ZDUSSCGKSA-N 1 2 258.365 1.991 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C[C@](C)(c2ccc(C)cc2)C1=O ZINC000491786475 332349143 /nfs/dbraw/zinc/34/91/43/332349143.db2.gz OWRRBUPJEXEZJA-KBXCAEBGSA-N 1 2 298.386 1.923 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C[C@](C)(c2ccc(C)cc2)C1=O ZINC000491786475 332349144 /nfs/dbraw/zinc/34/91/44/332349144.db2.gz OWRRBUPJEXEZJA-KBXCAEBGSA-N 1 2 298.386 1.923 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1ccc(N(C)CCOC)nc1 ZINC000491789994 332352208 /nfs/dbraw/zinc/35/22/08/332352208.db2.gz WZBMKSYGOQQCQY-UHFFFAOYSA-N 1 2 285.391 1.623 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(N(C)CCOC)nc1 ZINC000491789994 332352210 /nfs/dbraw/zinc/35/22/10/332352210.db2.gz WZBMKSYGOQQCQY-UHFFFAOYSA-N 1 2 285.391 1.623 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)NCC[NH+]1CCOCC1 ZINC000491834741 332371348 /nfs/dbraw/zinc/37/13/48/332371348.db2.gz ZRDNJYLOSZATQY-ZDUSSCGKSA-N 1 2 267.373 1.069 20 30 CDEDLO C[C@H](C[N@H+](C)C[C@H](C)C#N)NC(=O)OC(C)(C)C ZINC000492133552 332384236 /nfs/dbraw/zinc/38/42/36/332384236.db2.gz NFZMKJPLXIHLBB-GHMZBOCLSA-N 1 2 255.362 1.991 20 30 CDEDLO C[C@H](C[N@@H+](C)C[C@H](C)C#N)NC(=O)OC(C)(C)C ZINC000492133552 332384237 /nfs/dbraw/zinc/38/42/37/332384237.db2.gz NFZMKJPLXIHLBB-GHMZBOCLSA-N 1 2 255.362 1.991 20 30 CDEDLO N#C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC000493481959 332441954 /nfs/dbraw/zinc/44/19/54/332441954.db2.gz ACWJZXPSKPVBTP-CFHLNLSMSA-N 1 2 270.267 1.943 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178790063 333077816 /nfs/dbraw/zinc/07/78/16/333077816.db2.gz OSBNIYOVYWPQFD-ODXCJYRJSA-N 1 2 294.420 1.547 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178790063 333077817 /nfs/dbraw/zinc/07/78/17/333077817.db2.gz OSBNIYOVYWPQFD-ODXCJYRJSA-N 1 2 294.420 1.547 20 30 CDEDLO C[C@@H]([NH2+]CC(=O)NCC#N)c1ncc(-c2ccccc2)o1 ZINC000184864112 333132873 /nfs/dbraw/zinc/13/28/73/333132873.db2.gz ILLWMZHRRFWQKB-LLVKDONJSA-N 1 2 284.319 1.632 20 30 CDEDLO N#CC1(C[N@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)CC1 ZINC000550226191 334216641 /nfs/dbraw/zinc/21/66/41/334216641.db2.gz GTTKNOPGOYUONA-OAHLLOKOSA-N 1 2 283.375 1.723 20 30 CDEDLO N#CC1(C[N@@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)CC1 ZINC000550226191 334216643 /nfs/dbraw/zinc/21/66/43/334216643.db2.gz GTTKNOPGOYUONA-OAHLLOKOSA-N 1 2 283.375 1.723 20 30 CDEDLO CN(C)C(=O)c1cccc(C[NH2+]C[C@@H](C#N)CCC#N)c1 ZINC000554552162 334437634 /nfs/dbraw/zinc/43/76/34/334437634.db2.gz FSZFKAFUZFKWFP-CQSZACIVSA-N 1 2 284.363 1.922 20 30 CDEDLO N#CC1(CNC(=O)NCc2ccn3cc[nH+]c3c2)CCC1 ZINC000566905117 334668827 /nfs/dbraw/zinc/66/88/27/334668827.db2.gz OPBVOUGNGXQLPX-UHFFFAOYSA-N 1 2 283.335 1.827 20 30 CDEDLO C=C(C)CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000156570027 334744349 /nfs/dbraw/zinc/74/43/49/334744349.db2.gz GLDGUEWGSYTDCM-UHFFFAOYSA-N 1 2 262.357 1.637 20 30 CDEDLO C=CCn1c(=O)[nH]nc1SCc1cn2ccccc2[nH+]1 ZINC000163442781 334868322 /nfs/dbraw/zinc/86/83/22/334868322.db2.gz OMEHSYNUMVUBSQ-UHFFFAOYSA-N 1 2 287.348 1.697 20 30 CDEDLO CCC[C@@H]1C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CCO1 ZINC000576707548 335238115 /nfs/dbraw/zinc/23/81/15/335238115.db2.gz SCAMGVGGGFVVMZ-GZBFAFLISA-N 1 2 281.400 1.542 20 30 CDEDLO CC#CCN(C)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000577306460 335337604 /nfs/dbraw/zinc/33/76/04/335337604.db2.gz YQZHXAWJGNWNQD-UHFFFAOYSA-N 1 2 298.346 1.302 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC000578203167 335556270 /nfs/dbraw/zinc/55/62/70/335556270.db2.gz JKCDBBMMIDJLKL-JTQLQIEISA-N 1 2 266.345 1.037 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc2ncsc2c1 ZINC000581859741 336152707 /nfs/dbraw/zinc/15/27/07/336152707.db2.gz WPCAUQFGKXWVNG-CQSZACIVSA-N 1 2 288.376 1.870 20 30 CDEDLO C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC001755198579 1159800247 /nfs/dbraw/zinc/80/02/47/1159800247.db2.gz CISKKRMLXWYEOK-ZDUSSCGKSA-N 1 2 286.379 1.457 20 30 CDEDLO C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC001755198579 1159800253 /nfs/dbraw/zinc/80/02/53/1159800253.db2.gz CISKKRMLXWYEOK-ZDUSSCGKSA-N 1 2 286.379 1.457 20 30 CDEDLO COc1cc(F)cc(NC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC001771740094 1160487936 /nfs/dbraw/zinc/48/79/36/1160487936.db2.gz BDEDEAUFULJMIF-ZDUSSCGKSA-N 1 2 281.331 1.453 20 30 CDEDLO COc1cc(F)cc(NC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC001771740094 1160487941 /nfs/dbraw/zinc/48/79/41/1160487941.db2.gz BDEDEAUFULJMIF-ZDUSSCGKSA-N 1 2 281.331 1.453 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000652081218 482438360 /nfs/dbraw/zinc/43/83/60/482438360.db2.gz IWCIZHZOJUHDEA-LBPRGKRZSA-N 1 2 291.395 1.370 20 30 CDEDLO COCC#CC[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000669706044 482980364 /nfs/dbraw/zinc/98/03/64/482980364.db2.gz MGUVYERYAAKQLO-HNNXBMFYSA-N 1 2 288.391 1.788 20 30 CDEDLO COCC#CC[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000669706044 482980374 /nfs/dbraw/zinc/98/03/74/482980374.db2.gz MGUVYERYAAKQLO-HNNXBMFYSA-N 1 2 288.391 1.788 20 30 CDEDLO Cc1nnc([C@H](C)[NH2+]CCNC(=O)C#CC(C)(C)C)o1 ZINC001126916531 1160762650 /nfs/dbraw/zinc/76/26/50/1160762650.db2.gz WJWRMICUPWZWMH-JTQLQIEISA-N 1 2 278.356 1.194 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)noc2C(C)C)C1 ZINC001077167918 1160803554 /nfs/dbraw/zinc/80/35/54/1160803554.db2.gz KYOGKWCVPHLOPD-VXGBXAGGSA-N 1 2 293.367 1.067 20 30 CDEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)noc2C(C)C)C1 ZINC001077167918 1160803566 /nfs/dbraw/zinc/80/35/66/1160803566.db2.gz KYOGKWCVPHLOPD-VXGBXAGGSA-N 1 2 293.367 1.067 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001035452881 1161523208 /nfs/dbraw/zinc/52/32/08/1161523208.db2.gz UTVLAQNYVZTMLS-IIAWOOMASA-N 1 2 278.396 1.570 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001035452881 1161523213 /nfs/dbraw/zinc/52/32/13/1161523213.db2.gz UTVLAQNYVZTMLS-IIAWOOMASA-N 1 2 278.396 1.570 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)C2(COC)CCCC2)CC1 ZINC001112932953 1162059543 /nfs/dbraw/zinc/05/95/43/1162059543.db2.gz JXFTYQHCOCXITA-UHFFFAOYSA-N 1 2 280.412 1.914 20 30 CDEDLO CCN(c1ncc(Cl)cc1C#N)C1C[NH+](C)C1 ZINC001157455720 1162097078 /nfs/dbraw/zinc/09/70/78/1162097078.db2.gz AYXZGGLBGRXLLR-UHFFFAOYSA-N 1 2 250.733 1.747 20 30 CDEDLO Cc1ccnc(C)c1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329263613 534386264 /nfs/dbraw/zinc/38/62/64/534386264.db2.gz ZWICNLJBOCXOEN-CHWSQXEVSA-N 1 2 290.367 1.259 20 30 CDEDLO Cc1ccnc(C)c1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329263613 534386268 /nfs/dbraw/zinc/38/62/68/534386268.db2.gz ZWICNLJBOCXOEN-CHWSQXEVSA-N 1 2 290.367 1.259 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CC(CC)CC)CC1 ZINC001113468521 1162182967 /nfs/dbraw/zinc/18/29/67/1162182967.db2.gz NNNASUWJBZCCLL-UHFFFAOYSA-N 1 2 250.386 1.980 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000047028145 524785279 /nfs/dbraw/zinc/78/52/79/524785279.db2.gz DZLKOSXEKBNLBC-CYBMUJFWSA-N 1 2 297.362 1.985 20 30 CDEDLO Cc1cccc2[nH+]c(CNC(=O)c3ccc(C#N)cn3)cn21 ZINC000068571577 524985352 /nfs/dbraw/zinc/98/53/52/524985352.db2.gz PTNVHALKJQPNBJ-UHFFFAOYSA-N 1 2 291.314 1.839 20 30 CDEDLO COc1cccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000115595180 526028444 /nfs/dbraw/zinc/02/84/44/526028444.db2.gz XNOPUDNHMWFTMG-MRXNPFEDSA-N 1 2 295.342 1.883 20 30 CDEDLO C=CC[N@H+](Cc1ccccc1)[C@H](C(=O)OC)[C@H](C)O ZINC000351969261 526358992 /nfs/dbraw/zinc/35/89/92/526358992.db2.gz VGPVEZGFRVDWHH-JSGCOSHPSA-N 1 2 263.337 1.597 20 30 CDEDLO C=CC[N@@H+](Cc1ccccc1)[C@H](C(=O)OC)[C@H](C)O ZINC000351969261 526358997 /nfs/dbraw/zinc/35/89/97/526358997.db2.gz VGPVEZGFRVDWHH-JSGCOSHPSA-N 1 2 263.337 1.597 20 30 CDEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](O)C2)c(C#N)c1C ZINC000061708518 526881017 /nfs/dbraw/zinc/88/10/17/526881017.db2.gz NRIYTPDZTBOAMD-JTQLQIEISA-N 1 2 279.365 1.242 20 30 CDEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](O)C2)c(C#N)c1C ZINC000061708518 526881019 /nfs/dbraw/zinc/88/10/19/526881019.db2.gz NRIYTPDZTBOAMD-JTQLQIEISA-N 1 2 279.365 1.242 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000347623630 527047331 /nfs/dbraw/zinc/04/73/31/527047331.db2.gz MIWLXQAYDJXHSP-CHWSQXEVSA-N 1 2 269.389 1.361 20 30 CDEDLO C=CCn1cccc1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347295136 527383667 /nfs/dbraw/zinc/38/36/67/527383667.db2.gz XESZJCABWSDIQF-UHFFFAOYSA-N 1 2 289.379 1.269 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1nc(C)no1 ZINC000348092819 527637579 /nfs/dbraw/zinc/63/75/79/527637579.db2.gz BIAHFOSPHJEBTJ-MNOVXSKESA-N 1 2 278.356 1.618 20 30 CDEDLO CC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C[C@H](C)C#N ZINC000353284225 527910599 /nfs/dbraw/zinc/91/05/99/527910599.db2.gz UKIGXZRCRJTDAJ-CYBMUJFWSA-N 1 2 284.363 1.656 20 30 CDEDLO CC[N@H+](CC(=O)NCc1ccc(C#N)cc1)C[C@H](C)C#N ZINC000353284225 527910608 /nfs/dbraw/zinc/91/06/08/527910608.db2.gz UKIGXZRCRJTDAJ-CYBMUJFWSA-N 1 2 284.363 1.656 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000352279916 529350745 /nfs/dbraw/zinc/35/07/45/529350745.db2.gz FUBGFQLJQTXPRX-OUCADQQQSA-N 1 2 267.373 1.152 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCCCCO ZINC000434694822 536758649 /nfs/dbraw/zinc/75/86/49/536758649.db2.gz WHPMMXGXPHTBQF-HNNXBMFYSA-N 1 2 290.363 1.867 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCCCO ZINC000434694822 536758653 /nfs/dbraw/zinc/75/86/53/536758653.db2.gz WHPMMXGXPHTBQF-HNNXBMFYSA-N 1 2 290.363 1.867 20 30 CDEDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000335679177 574424959 /nfs/dbraw/zinc/42/49/59/574424959.db2.gz LZWZOEBBNGNNNF-GFCCVEGCSA-N 1 2 276.315 1.201 20 30 CDEDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000335679177 574424960 /nfs/dbraw/zinc/42/49/60/574424960.db2.gz LZWZOEBBNGNNNF-GFCCVEGCSA-N 1 2 276.315 1.201 20 30 CDEDLO C#CCOc1ccc(C(=O)Nc2cc[nH+]cc2O)cc1 ZINC000748313064 574518390 /nfs/dbraw/zinc/51/83/90/574518390.db2.gz VDZPZBKMNGLFKZ-UHFFFAOYSA-N 1 2 268.272 1.473 20 30 CDEDLO C=CCn1nnn(C[N@@H+](CCC)C2CC2)c1=S ZINC000728902069 574672575 /nfs/dbraw/zinc/67/25/75/574672575.db2.gz CIIMHJDXKWCEQR-UHFFFAOYSA-N 1 2 253.375 1.827 20 30 CDEDLO C=CCn1nnn(C[N@H+](CCC)C2CC2)c1=S ZINC000728902069 574672577 /nfs/dbraw/zinc/67/25/77/574672577.db2.gz CIIMHJDXKWCEQR-UHFFFAOYSA-N 1 2 253.375 1.827 20 30 CDEDLO CCOc1ccc(/C=[NH+]/CCN2C(=O)CCC2=O)c(O)c1 ZINC000733749842 575137683 /nfs/dbraw/zinc/13/76/83/575137683.db2.gz BJCAPYZDFZFXIQ-MHWRWJLKSA-N 1 2 290.319 1.359 20 30 CDEDLO C=C(C)CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000771651379 575601081 /nfs/dbraw/zinc/60/10/81/575601081.db2.gz IIYQNJJIWPVJCT-UHFFFAOYSA-N 1 2 289.379 1.732 20 30 CDEDLO C=C(Cl)CNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000736399006 575648153 /nfs/dbraw/zinc/64/81/53/575648153.db2.gz LTORDGRHMJWJLQ-UHFFFAOYSA-N 1 2 264.716 1.886 20 30 CDEDLO C[N@@H+](CCC#N)CCOc1cccc(-c2nn[nH]n2)c1 ZINC000736793381 575748209 /nfs/dbraw/zinc/74/82/09/575748209.db2.gz WRHLIGBNYMFTCC-UHFFFAOYSA-N 1 2 272.312 1.091 20 30 CDEDLO C[N@H+](CCC#N)CCOc1cccc(-c2nn[nH]n2)c1 ZINC000736793381 575748212 /nfs/dbraw/zinc/74/82/12/575748212.db2.gz WRHLIGBNYMFTCC-UHFFFAOYSA-N 1 2 272.312 1.091 20 30 CDEDLO C#C[C@@H](C)NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000773596423 575828710 /nfs/dbraw/zinc/82/87/10/575828710.db2.gz CHUHSGMJICBUEI-CYBMUJFWSA-N 1 2 289.354 1.675 20 30 CDEDLO C=C(C)CNC(=S)N(C)CCCn1cc[nH+]c1 ZINC000767687068 576220494 /nfs/dbraw/zinc/22/04/94/576220494.db2.gz ULIWBNGITAULKX-UHFFFAOYSA-N 1 2 252.387 1.656 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(COC)cc1 ZINC000768087985 576256311 /nfs/dbraw/zinc/25/63/11/576256311.db2.gz HIIAJTMNQVVKIA-HNNXBMFYSA-N 1 2 272.348 1.869 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(COC)cc1 ZINC000768087985 576256313 /nfs/dbraw/zinc/25/63/13/576256313.db2.gz HIIAJTMNQVVKIA-HNNXBMFYSA-N 1 2 272.348 1.869 20 30 CDEDLO C[C@@H](C#N)OC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741354260 576553921 /nfs/dbraw/zinc/55/39/21/576553921.db2.gz NLJIIJGWHNOSNZ-DZGCQCFKSA-N 1 2 288.347 1.733 20 30 CDEDLO C[C@@H](C#N)OC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741354260 576553922 /nfs/dbraw/zinc/55/39/22/576553922.db2.gz NLJIIJGWHNOSNZ-DZGCQCFKSA-N 1 2 288.347 1.733 20 30 CDEDLO Oc1cccc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)c1O ZINC000761855944 576598246 /nfs/dbraw/zinc/59/82/46/576598246.db2.gz VYRAVQCHXYDICU-UHFFFAOYSA-N 1 2 296.290 1.520 20 30 CDEDLO CCCCCCCC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000746010506 576751074 /nfs/dbraw/zinc/75/10/74/576751074.db2.gz JLWAMGBBEXIBTM-UHFFFAOYSA-N 1 2 297.443 1.755 20 30 CDEDLO C#CCOc1ccc(C(=O)NCCc2c[nH+]cn2C)cc1 ZINC000753678097 576853655 /nfs/dbraw/zinc/85/36/55/576853655.db2.gz GYBYQOVPCXRZNO-UHFFFAOYSA-N 1 2 283.331 1.405 20 30 CDEDLO C#CCNC(=O)C[N@@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000747531908 576874432 /nfs/dbraw/zinc/87/44/32/576874432.db2.gz GAFDQVKMTNRCMI-MPBGBICISA-N 1 2 292.404 1.166 20 30 CDEDLO C#CCNC(=O)C[N@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000747531908 576874433 /nfs/dbraw/zinc/87/44/33/576874433.db2.gz GAFDQVKMTNRCMI-MPBGBICISA-N 1 2 292.404 1.166 20 30 CDEDLO CCC1N=NC(=S)N1N=Cc1c[nH+]c2c(C)cccn12 ZINC000755507952 576947343 /nfs/dbraw/zinc/94/73/43/576947343.db2.gz JWTGQWQSRZHMJA-UHFFFAOYSA-N 1 2 286.364 1.968 20 30 CDEDLO O=C1C[N@H+](CC#Cc2ccc(Cl)cc2)CCCN1 ZINC000750044306 576973341 /nfs/dbraw/zinc/97/33/41/576973341.db2.gz UJTVDHIHGAHYDN-UHFFFAOYSA-N 1 2 262.740 1.513 20 30 CDEDLO O=C1C[N@@H+](CC#Cc2ccc(Cl)cc2)CCCN1 ZINC000750044306 576973343 /nfs/dbraw/zinc/97/33/43/576973343.db2.gz UJTVDHIHGAHYDN-UHFFFAOYSA-N 1 2 262.740 1.513 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CCC[C@@H]2C[C@H](C)O)c1=S ZINC000752809215 577129115 /nfs/dbraw/zinc/12/91/15/577129115.db2.gz FBYUZTBWPGLIMC-WDEREUQCSA-N 1 2 283.401 1.188 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c1=S ZINC000752809215 577129117 /nfs/dbraw/zinc/12/91/17/577129117.db2.gz FBYUZTBWPGLIMC-WDEREUQCSA-N 1 2 283.401 1.188 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)nc1 ZINC000753183166 577151652 /nfs/dbraw/zinc/15/16/52/577151652.db2.gz NZEBFXYILREWIF-AWEZNQCLSA-N 1 2 292.342 1.467 20 30 CDEDLO C=CC[N@H+](Cc1cc[nH]n1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914458 608631895 /nfs/dbraw/zinc/63/18/95/608631895.db2.gz JEUIEDLBZGSOOB-UHFFFAOYSA-N 1 2 295.350 1.778 20 30 CDEDLO C=CC[N@@H+](Cc1cc[nH]n1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914458 608631896 /nfs/dbraw/zinc/63/18/96/608631896.db2.gz JEUIEDLBZGSOOB-UHFFFAOYSA-N 1 2 295.350 1.778 20 30 CDEDLO C=CC[C@H](CO)CNc1[nH+]ccc(C)c1-c1nn[nH]n1 ZINC000823887972 609585253 /nfs/dbraw/zinc/58/52/53/609585253.db2.gz CFADLAIGDBEOTB-JTQLQIEISA-N 1 2 274.328 1.167 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CC[C@H](CC)O2)C1 ZINC000950453441 612991378 /nfs/dbraw/zinc/99/13/78/612991378.db2.gz VTFIUDODZOFKKF-LSDHHAIUSA-N 1 2 278.396 1.500 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(Cl)[nH]2)C1 ZINC000951705412 612991991 /nfs/dbraw/zinc/99/19/91/612991991.db2.gz ZIYCKRQKIZYGGW-UHFFFAOYSA-N 1 2 279.771 1.838 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ncccc2Cl)C1 ZINC000957302738 612993345 /nfs/dbraw/zinc/99/33/45/612993345.db2.gz YWZWQSPFIFRGFQ-UHFFFAOYSA-N 1 2 291.782 1.905 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2ccc(OC)o2)CC1 ZINC000982602150 613157788 /nfs/dbraw/zinc/15/77/88/613157788.db2.gz ZOHBTHXZJTYFBO-UHFFFAOYSA-N 1 2 262.309 1.069 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2ccc(OC)o2)CC1 ZINC000982602150 613157790 /nfs/dbraw/zinc/15/77/90/613157790.db2.gz ZOHBTHXZJTYFBO-UHFFFAOYSA-N 1 2 262.309 1.069 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)C3CC3)C2)C1 ZINC000972695699 613210926 /nfs/dbraw/zinc/21/09/26/613210926.db2.gz UNLPYXMPISCMMQ-PBHICJAKSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)C3CC3)C2)C1 ZINC000972695699 613210927 /nfs/dbraw/zinc/21/09/27/613210927.db2.gz UNLPYXMPISCMMQ-PBHICJAKSA-N 1 2 290.407 1.359 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2C[C@@H]2OCC)C1 ZINC000949716469 613295585 /nfs/dbraw/zinc/29/55/85/613295585.db2.gz VFTUXGHNZMRSRW-KBPBESRZSA-N 1 2 266.385 1.520 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c[nH]nc2C)C1 ZINC000951103532 613296047 /nfs/dbraw/zinc/29/60/47/613296047.db2.gz SIOUQTFLWOBSAU-UHFFFAOYSA-N 1 2 262.357 1.441 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2sccc2F)C(C)(C)C1 ZINC000974552697 613301971 /nfs/dbraw/zinc/30/19/71/613301971.db2.gz NPJNVTNDBYNINP-NSHDSACASA-N 1 2 280.368 1.961 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2sccc2F)C(C)(C)C1 ZINC000974552697 613301973 /nfs/dbraw/zinc/30/19/73/613301973.db2.gz NPJNVTNDBYNINP-NSHDSACASA-N 1 2 280.368 1.961 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC000950670748 613319952 /nfs/dbraw/zinc/31/99/52/613319952.db2.gz CWMXDCSQKOWBNA-UHFFFAOYSA-N 1 2 274.368 1.621 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc3c(c2)ncn3C)CC1 ZINC000948969109 613320831 /nfs/dbraw/zinc/32/08/31/613320831.db2.gz YRANLMFMLBVVOT-UHFFFAOYSA-N 1 2 298.390 1.907 20 30 CDEDLO C=C(C)C[NH2+][C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000968752816 613348840 /nfs/dbraw/zinc/34/88/40/613348840.db2.gz UXTGHMSQTHFLQI-BDAKNGLRSA-N 1 2 268.254 1.653 20 30 CDEDLO C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000968752816 613348841 /nfs/dbraw/zinc/34/88/41/613348841.db2.gz UXTGHMSQTHFLQI-BDAKNGLRSA-N 1 2 268.254 1.653 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2coc(C)n2)C1 ZINC000969526724 613372061 /nfs/dbraw/zinc/37/20/61/613372061.db2.gz OISHIYYSJZHDTC-SECBINFHSA-N 1 2 283.759 1.786 20 30 CDEDLO C=C(Cl)CN1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000982036427 613373315 /nfs/dbraw/zinc/37/33/15/613373315.db2.gz LIDXCVKAKDUJLB-UHFFFAOYSA-N 1 2 282.775 1.239 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cc2ccnn2C)CC1 ZINC000981061054 613373363 /nfs/dbraw/zinc/37/33/63/613373363.db2.gz OBCLDQNMHRWZST-UHFFFAOYSA-N 1 2 296.802 1.249 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cc2ccnn2C)CC1 ZINC000981061054 613373364 /nfs/dbraw/zinc/37/33/64/613373364.db2.gz OBCLDQNMHRWZST-UHFFFAOYSA-N 1 2 296.802 1.249 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC000972083074 613434694 /nfs/dbraw/zinc/43/46/94/613434694.db2.gz VEWTZEUFGKMLBO-CQSZACIVSA-N 1 2 290.411 1.665 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C)n2)C1 ZINC000972083074 613434696 /nfs/dbraw/zinc/43/46/96/613434696.db2.gz VEWTZEUFGKMLBO-CQSZACIVSA-N 1 2 290.411 1.665 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000949409859 613563223 /nfs/dbraw/zinc/56/32/23/613563223.db2.gz RZHASIRLYCHVPB-HZPDHXFCSA-N 1 2 290.407 1.502 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC#C[C@H]1CCCCO1 ZINC000891117695 617366353 /nfs/dbraw/zinc/36/63/53/617366353.db2.gz XNILIJALUZMDPI-MGPQQGTHSA-N 1 2 287.363 1.212 20 30 CDEDLO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000971570062 613632775 /nfs/dbraw/zinc/63/27/75/613632775.db2.gz GWSXWBFQXWQRII-IUCAKERBSA-N 1 2 268.254 1.606 20 30 CDEDLO C=CC[N@@H+](C)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971570062 613632767 /nfs/dbraw/zinc/63/27/67/613632767.db2.gz GWSXWBFQXWQRII-IUCAKERBSA-N 1 2 268.254 1.606 20 30 CDEDLO C=CC[N@H+](C)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971570062 613632771 /nfs/dbraw/zinc/63/27/71/613632771.db2.gz GWSXWBFQXWQRII-IUCAKERBSA-N 1 2 268.254 1.606 20 30 CDEDLO C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000971570062 613632773 /nfs/dbraw/zinc/63/27/73/613632773.db2.gz GWSXWBFQXWQRII-IUCAKERBSA-N 1 2 268.254 1.606 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCO[C@H](C)C2)CC1 ZINC000952438939 613711300 /nfs/dbraw/zinc/71/13/00/613711300.db2.gz AQOJXMOKZUFPLF-CHWSQXEVSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2C[C@H](C)Cc3cn[nH]c32)CC1 ZINC000949837655 613713305 /nfs/dbraw/zinc/71/33/05/613713305.db2.gz SGTBWSIADUSTNC-OCCSQVGLSA-N 1 2 288.395 1.406 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCO[C@@H](C)C2)CC1 ZINC000952438942 613713367 /nfs/dbraw/zinc/71/33/67/613713367.db2.gz AQOJXMOKZUFPLF-STQMWFEESA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(-n3cccn3)nc2)CC1 ZINC000949567829 613715648 /nfs/dbraw/zinc/71/56/48/613715648.db2.gz AIXBTMDCUDPWEU-UHFFFAOYSA-N 1 2 297.362 1.211 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(N(C)C)cc2F)CC1 ZINC000948751864 613716319 /nfs/dbraw/zinc/71/63/19/613716319.db2.gz ZBBGCTYJQZVRKD-UHFFFAOYSA-N 1 2 291.370 1.836 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc(-c3nc[nH]n3)c2)CC1 ZINC000949617215 613716957 /nfs/dbraw/zinc/71/69/57/613716957.db2.gz HTYFKQOPIVGLMH-UHFFFAOYSA-N 1 2 297.362 1.416 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCCO3)C2)C1 ZINC000972270218 613723373 /nfs/dbraw/zinc/72/33/73/613723373.db2.gz APGPVMLJSYXUHA-HOCLYGCPSA-N 1 2 294.395 1.045 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCCO3)C2)C1 ZINC000972270218 613723377 /nfs/dbraw/zinc/72/33/77/613723377.db2.gz APGPVMLJSYXUHA-HOCLYGCPSA-N 1 2 294.395 1.045 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933396133 617414815 /nfs/dbraw/zinc/41/48/15/617414815.db2.gz RMUGISNSGGHNSO-ZDUSSCGKSA-N 1 2 289.379 1.808 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933396133 617414819 /nfs/dbraw/zinc/41/48/19/617414819.db2.gz RMUGISNSGGHNSO-ZDUSSCGKSA-N 1 2 289.379 1.808 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000932153061 617954598 /nfs/dbraw/zinc/95/45/98/617954598.db2.gz MOIJANNSYCRQPY-ZDUSSCGKSA-N 1 2 293.392 1.112 20 30 CDEDLO N#C[C@@H]1CCC[N@H+](CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000932153061 617954603 /nfs/dbraw/zinc/95/46/03/617954603.db2.gz MOIJANNSYCRQPY-ZDUSSCGKSA-N 1 2 293.392 1.112 20 30 CDEDLO Cc1ncoc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000893917834 618174958 /nfs/dbraw/zinc/17/49/58/618174958.db2.gz ZQYJCRIHXGBZOY-UHFFFAOYSA-N 1 2 283.335 1.572 20 30 CDEDLO C#CCOc1cccc(Cl)c1C[NH2+]CC(=O)N(C)OC ZINC000895042801 619219869 /nfs/dbraw/zinc/21/98/69/619219869.db2.gz NRRMZPJPSKMZSW-UHFFFAOYSA-N 1 2 296.754 1.461 20 30 CDEDLO C#Cc1cncc(-c2noc([C@@H]3C[N@H+](C)CCO3)n2)c1 ZINC000896556779 620145672 /nfs/dbraw/zinc/14/56/72/620145672.db2.gz RDTDXTOAGNNSMU-LBPRGKRZSA-N 1 2 270.292 1.116 20 30 CDEDLO C#Cc1cncc(-c2noc([C@@H]3C[N@@H+](C)CCO3)n2)c1 ZINC000896556779 620145675 /nfs/dbraw/zinc/14/56/75/620145675.db2.gz RDTDXTOAGNNSMU-LBPRGKRZSA-N 1 2 270.292 1.116 20 30 CDEDLO C#CCCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000896700590 620198790 /nfs/dbraw/zinc/19/87/90/620198790.db2.gz BKIYTKSBYLNIEJ-ZDUSSCGKSA-N 1 2 260.341 1.320 20 30 CDEDLO C#CCCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000896700590 620198792 /nfs/dbraw/zinc/19/87/92/620198792.db2.gz BKIYTKSBYLNIEJ-ZDUSSCGKSA-N 1 2 260.341 1.320 20 30 CDEDLO Cc1[nH]c(CNC(=O)Cc2cccc(OCC#N)c2)[nH+]c1C ZINC000896913673 620304541 /nfs/dbraw/zinc/30/45/41/620304541.db2.gz VFGHVXZKYAHJEP-UHFFFAOYSA-N 1 2 298.346 1.788 20 30 CDEDLO N#Cc1ccc(C[NH+]2CC(N3CCCC3=O)C2)cc1 ZINC000897786678 621122165 /nfs/dbraw/zinc/12/21/65/621122165.db2.gz VCUOFWHRSDUYLI-UHFFFAOYSA-N 1 2 255.321 1.365 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898491922 621761487 /nfs/dbraw/zinc/76/14/87/621761487.db2.gz PCJUEMFSTNJSOJ-QWHCGFSZSA-N 1 2 272.364 1.518 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898491922 621761489 /nfs/dbraw/zinc/76/14/89/621761489.db2.gz PCJUEMFSTNJSOJ-QWHCGFSZSA-N 1 2 272.364 1.518 20 30 CDEDLO C[C@@H]1/C(=C/c2ncc(C[NH+](C)C)s2)C(=O)c2ncnn21 ZINC000905087255 626603593 /nfs/dbraw/zinc/60/35/93/626603593.db2.gz WTLNEFFSUWLVHZ-YXSUAUNDSA-N 1 2 289.364 1.637 20 30 CDEDLO C#CC[N@H+](CN1C[C@@H](c2cncn2C)CC1=O)C(C)C ZINC000905750198 626945525 /nfs/dbraw/zinc/94/55/25/626945525.db2.gz VSEYYKBFJLJEPJ-ZDUSSCGKSA-N 1 2 274.368 1.037 20 30 CDEDLO C#CC[N@@H+](CN1C[C@@H](c2cncn2C)CC1=O)C(C)C ZINC000905750198 626945529 /nfs/dbraw/zinc/94/55/29/626945529.db2.gz VSEYYKBFJLJEPJ-ZDUSSCGKSA-N 1 2 274.368 1.037 20 30 CDEDLO C#CCn1cc(CNC(=O)c2c(C)cc(C)[nH+]c2C)cn1 ZINC000907790384 627836890 /nfs/dbraw/zinc/83/68/90/627836890.db2.gz OOQNKSBGHWSSGZ-UHFFFAOYSA-N 1 2 282.347 1.767 20 30 CDEDLO C#CCCCCCC(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913463685 630496196 /nfs/dbraw/zinc/49/61/96/630496196.db2.gz IALCAPZCLACRGU-HNNXBMFYSA-N 1 2 288.395 1.477 20 30 CDEDLO CCOC(=O)[C@H](C#N)Nc1cc2[nH+]c[nH]c2cc1F ZINC001170370591 1162344975 /nfs/dbraw/zinc/34/49/75/1162344975.db2.gz GRRBFJBTNPVQPX-NSHDSACASA-N 1 2 262.244 1.569 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cocc2C)[C@@H](O)C1 ZINC001090491514 1162693635 /nfs/dbraw/zinc/69/36/35/1162693635.db2.gz CDQGNZRBMRAMTR-STQMWFEESA-N 1 2 298.770 1.506 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cocc2C)[C@@H](O)C1 ZINC001090491514 1162693640 /nfs/dbraw/zinc/69/36/40/1162693640.db2.gz CDQGNZRBMRAMTR-STQMWFEESA-N 1 2 298.770 1.506 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCOC)CC[C@H]1C ZINC001131734836 1163020676 /nfs/dbraw/zinc/02/06/76/1163020676.db2.gz LYPZHLPOGFDHTD-NEPJUHHUSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCOC)CC[C@H]1C ZINC001131734836 1163020685 /nfs/dbraw/zinc/02/06/85/1163020685.db2.gz LYPZHLPOGFDHTD-NEPJUHHUSA-N 1 2 274.792 1.745 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H](OCC)C(C)C)C1 ZINC001754576492 1159287841 /nfs/dbraw/zinc/28/78/41/1159287841.db2.gz NXMMLIXFUCNCFE-AWEZNQCLSA-N 1 2 268.401 1.766 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccnnc2)[C@H]1C ZINC001088878849 1161036881 /nfs/dbraw/zinc/03/68/81/1161036881.db2.gz RVYTZMGERRMOGI-PWSUYJOCSA-N 1 2 280.759 1.422 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccnnc2)[C@H]1C ZINC001088878849 1161036886 /nfs/dbraw/zinc/03/68/86/1161036886.db2.gz RVYTZMGERRMOGI-PWSUYJOCSA-N 1 2 280.759 1.422 20 30 CDEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C(C)(C)F)nn2)C1 ZINC001107118475 1161309867 /nfs/dbraw/zinc/30/98/67/1161309867.db2.gz VVYXPOBQYWSEDP-UHFFFAOYSA-N 1 2 295.362 1.075 20 30 CDEDLO Cc1nc(N[C@@H](C)[C@@H](C)NC(=O)CSCC#N)cc[nH+]1 ZINC001112911065 1162057890 /nfs/dbraw/zinc/05/78/90/1162057890.db2.gz LTMGJLNITCLEOB-VHSXEESVSA-N 1 2 293.396 1.347 20 30 CDEDLO Cc1nc(N[C@@H](C)[C@@H](C)NC(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001112994413 1162062973 /nfs/dbraw/zinc/06/29/73/1162062973.db2.gz WLXRMOQDJBAABC-VHSXEESVSA-N 1 2 298.350 1.604 20 30 CDEDLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)Nc1ccc(C#N)cn1 ZINC001113081436 1162095043 /nfs/dbraw/zinc/09/50/43/1162095043.db2.gz CXENTVKHWCUJTG-NWDGAFQWSA-N 1 2 298.350 1.155 20 30 CDEDLO N#CCOc1ccccc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791774306 1162242142 /nfs/dbraw/zinc/24/21/42/1162242142.db2.gz ARZQHUJFEZUMHY-UHFFFAOYSA-N 1 2 283.287 1.923 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2cccn2CC)CC1 ZINC001113635466 1162242926 /nfs/dbraw/zinc/24/29/26/1162242926.db2.gz ATFIGDXVNGVZKG-UHFFFAOYSA-N 1 2 291.395 1.468 20 30 CDEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001609067971 1164754381 /nfs/dbraw/zinc/75/43/81/1164754381.db2.gz JCCDUSIIQHTRIV-QMMMGPOBSA-N 1 2 260.276 1.255 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCc3cc[nH+]c(N)c3C2)[nH]1 ZINC001643142791 1167229120 /nfs/dbraw/zinc/22/91/20/1167229120.db2.gz SWEAZETWJTZPRG-UHFFFAOYSA-N 1 2 267.292 1.062 20 30 CDEDLO N#Cc1cnccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001214004608 1167365853 /nfs/dbraw/zinc/36/58/53/1167365853.db2.gz JUPIIGDMJXQIHT-UHFFFAOYSA-N 1 2 281.319 1.350 20 30 CDEDLO N#CC1(CCC[NH+]2CCS(=O)CC2)CCOCC1 ZINC001645758490 1167489046 /nfs/dbraw/zinc/48/90/46/1167489046.db2.gz MSBDRSDEGWTALI-UHFFFAOYSA-N 1 2 270.398 1.151 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)NCc1cccc(OCC#N)c1 ZINC001649801901 1169381078 /nfs/dbraw/zinc/38/10/78/1169381078.db2.gz IJOZEHOQNPXLQC-UHFFFAOYSA-N 1 2 284.319 1.181 20 30 CDEDLO C#Cc1ccc(NC(=O)[C@@H]2COCC[NH2+]2)c(Cl)c1 ZINC001573307769 1170652275 /nfs/dbraw/zinc/65/22/75/1170652275.db2.gz WMMZBJHZZMSPSR-LBPRGKRZSA-N 1 2 264.712 1.248 20 30 CDEDLO C[C@@H](CC#N)[NH2+]Cc1cccc(-c2nn[nH]n2)c1F ZINC001589788073 1173181165 /nfs/dbraw/zinc/18/11/65/1173181165.db2.gz SUTIOWDKEZESGY-QMMMGPOBSA-N 1 2 260.276 1.398 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCCC[N@@H+](C)Cc1cn(C)nn1 ZINC001752040526 1184811407 /nfs/dbraw/zinc/81/14/07/1184811407.db2.gz VTTKLJANYUQDRN-UHFFFAOYSA-N 1 2 293.415 1.356 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCCC[N@H+](C)Cc1cn(C)nn1 ZINC001752040526 1184811409 /nfs/dbraw/zinc/81/14/09/1184811409.db2.gz VTTKLJANYUQDRN-UHFFFAOYSA-N 1 2 293.415 1.356 20 30 CDEDLO C=CCCC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)c1nc(C)no1 ZINC001753681703 1185298275 /nfs/dbraw/zinc/29/82/75/1185298275.db2.gz BVODFGPEWPSZKG-MNOVXSKESA-N 1 2 280.372 1.842 20 30 CDEDLO CC#CC[N@H+](C)CCN(C)C(=O)CCCn1ccnc1C ZINC001753866066 1185371094 /nfs/dbraw/zinc/37/10/94/1185371094.db2.gz VBNLARAEOPDSHH-UHFFFAOYSA-N 1 2 290.411 1.385 20 30 CDEDLO CC#CC[N@@H+](C)CCN(C)C(=O)CCCn1ccnc1C ZINC001753866066 1185371097 /nfs/dbraw/zinc/37/10/97/1185371097.db2.gz VBNLARAEOPDSHH-UHFFFAOYSA-N 1 2 290.411 1.385 20 30 CDEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1CC=CCC1 ZINC001754970775 1185774123 /nfs/dbraw/zinc/77/41/23/1185774123.db2.gz ZVVAPPDIPDOMDH-CVEARBPZSA-N 1 2 290.407 1.573 20 30 CDEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1CC=CCC1 ZINC001754970775 1185774128 /nfs/dbraw/zinc/77/41/28/1185774128.db2.gz ZVVAPPDIPDOMDH-CVEARBPZSA-N 1 2 290.407 1.573 20 30 CDEDLO C=CC[NH+]1CCN([C@H](F)Oc2cncc(Cl)n2)CC1 ZINC001165034695 721872506 /nfs/dbraw/zinc/87/25/06/721872506.db2.gz NHSGXCQYFMHCCV-LBPRGKRZSA-N 1 2 286.738 1.566 20 30 CDEDLO C=CCC1(O)CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000717182762 731094208 /nfs/dbraw/zinc/09/42/08/731094208.db2.gz WGTNUJZYOMENOM-UHFFFAOYSA-N 1 2 255.358 1.731 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2coc(C3CC3)n2)nn1 ZINC000881307365 730426327 /nfs/dbraw/zinc/42/63/27/730426327.db2.gz ZNHGYHGZKWFPBA-UHFFFAOYSA-N 1 2 271.324 1.305 20 30 CDEDLO Cc1nc(NC[C@@H]2CCCN(C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001060029573 730427851 /nfs/dbraw/zinc/42/78/51/730427851.db2.gz YQEPXWMITCQHLR-HNNXBMFYSA-N 1 2 298.390 1.849 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Oc1cccnc1 ZINC001017925244 730430079 /nfs/dbraw/zinc/43/00/79/730430079.db2.gz NBBVLQNMWVAHRD-SOUVJXGZSA-N 1 2 299.374 1.157 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Oc1cccnc1 ZINC001017925244 730430085 /nfs/dbraw/zinc/43/00/85/730430085.db2.gz NBBVLQNMWVAHRD-SOUVJXGZSA-N 1 2 299.374 1.157 20 30 CDEDLO CNC(=S)N[NH+]=C(C)c1cccc(N2CCOCC2)c1 ZINC000812377682 730444279 /nfs/dbraw/zinc/44/42/79/730444279.db2.gz PADYZNGBYMKBIR-UHFFFAOYSA-N 1 2 292.408 1.341 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2CCC[C@@H](OC)C2)C1 ZINC001042874393 730454225 /nfs/dbraw/zinc/45/42/25/730454225.db2.gz MCSPOQLQDIFZHY-DZGCQCFKSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001046124642 730466391 /nfs/dbraw/zinc/46/63/91/730466391.db2.gz JMNIZCQCJDTUBT-ZDUSSCGKSA-N 1 2 296.758 1.129 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001046124642 730466392 /nfs/dbraw/zinc/46/63/92/730466392.db2.gz JMNIZCQCJDTUBT-ZDUSSCGKSA-N 1 2 296.758 1.129 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(CCC)c1C ZINC001038839558 730471246 /nfs/dbraw/zinc/47/12/46/730471246.db2.gz FMPGNJXWTROXQB-ZDUSSCGKSA-N 1 2 274.368 1.039 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(CCC)c1C ZINC001038839558 730471247 /nfs/dbraw/zinc/47/12/47/730471247.db2.gz FMPGNJXWTROXQB-ZDUSSCGKSA-N 1 2 274.368 1.039 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccsc1C ZINC001017537140 730471634 /nfs/dbraw/zinc/47/16/34/730471634.db2.gz ARDHRRKYCGXORT-BETUJISGSA-N 1 2 274.389 1.979 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccsc1C ZINC001017537140 730471636 /nfs/dbraw/zinc/47/16/36/730471636.db2.gz ARDHRRKYCGXORT-BETUJISGSA-N 1 2 274.389 1.979 20 30 CDEDLO C[C@@H]1C[C@H](NCC#N)CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000989042132 730472846 /nfs/dbraw/zinc/47/28/46/730472846.db2.gz OPNHUBUPOOVUMB-PWSUYJOCSA-N 1 2 283.335 1.279 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1nccn1CC ZINC001027846473 730487121 /nfs/dbraw/zinc/48/71/21/730487121.db2.gz MZSJARDPARVDHT-LBPRGKRZSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1nccn1CC ZINC001027846473 730487128 /nfs/dbraw/zinc/48/71/28/730487128.db2.gz MZSJARDPARVDHT-LBPRGKRZSA-N 1 2 296.802 1.850 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccnc1C ZINC001017947670 730488844 /nfs/dbraw/zinc/48/88/44/730488844.db2.gz XKRBWOHGCQZZMG-CALCHBBNSA-N 1 2 297.402 1.631 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccnc1C ZINC001017947670 730488847 /nfs/dbraw/zinc/48/88/47/730488847.db2.gz XKRBWOHGCQZZMG-CALCHBBNSA-N 1 2 297.402 1.631 20 30 CDEDLO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccns1 ZINC001032430003 730506782 /nfs/dbraw/zinc/50/67/82/730506782.db2.gz TWSOELCCZQJAFM-QWRGUYRKSA-N 1 2 261.350 1.065 20 30 CDEDLO C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccns1 ZINC001032430003 730506795 /nfs/dbraw/zinc/50/67/95/730506795.db2.gz TWSOELCCZQJAFM-QWRGUYRKSA-N 1 2 261.350 1.065 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCc2cc3n(n2)CCC3)cc1 ZINC000844763445 730536904 /nfs/dbraw/zinc/53/69/04/730536904.db2.gz LPQPXNDKOBGIQL-UHFFFAOYSA-N 1 2 286.335 1.675 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]cc2C2CC2)C1 ZINC001035566773 730553258 /nfs/dbraw/zinc/55/32/58/730553258.db2.gz YVESEGBRYYSMLO-ZDUSSCGKSA-N 1 2 289.379 1.509 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]cc2C2CC2)C1 ZINC001035566773 730553262 /nfs/dbraw/zinc/55/32/62/730553262.db2.gz YVESEGBRYYSMLO-ZDUSSCGKSA-N 1 2 289.379 1.509 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCC[C@H](OC)C2)C1 ZINC001030868331 730560908 /nfs/dbraw/zinc/56/09/08/730560908.db2.gz FXWNDQVBPOFADP-JSGCOSHPSA-N 1 2 264.369 1.015 20 30 CDEDLO O=C(C#CC1CC1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000825099607 730561246 /nfs/dbraw/zinc/56/12/46/730561246.db2.gz ADSMNXNVKZZYFX-UHFFFAOYSA-N 1 2 283.375 1.182 20 30 CDEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(-c2ccc(OC)nn2)no1 ZINC000852103627 730583542 /nfs/dbraw/zinc/58/35/42/730583542.db2.gz MZJUXLCKYREUAS-CQSZACIVSA-N 1 2 287.323 1.427 20 30 CDEDLO C=C[C@H](C)ONC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000845636351 730597288 /nfs/dbraw/zinc/59/72/88/730597288.db2.gz NPLYLMLZSTYDPP-QWRGUYRKSA-N 1 2 264.329 1.805 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3CC[C@@H](NCC#N)[C@H]3C)ccn12 ZINC000986281304 730605588 /nfs/dbraw/zinc/60/55/88/730605588.db2.gz OMMNESUGUWCPEF-TZMCWYRMSA-N 1 2 297.362 1.359 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC23CC3)C1 ZINC001073785116 730621636 /nfs/dbraw/zinc/62/16/36/730621636.db2.gz BSJOXRACLSPXAG-OLZOCXBDSA-N 1 2 298.814 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC23CC3)C1 ZINC001073785116 730621637 /nfs/dbraw/zinc/62/16/37/730621637.db2.gz BSJOXRACLSPXAG-OLZOCXBDSA-N 1 2 298.814 1.746 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2nccn3cc(C)nc23)C1 ZINC001044151040 730637793 /nfs/dbraw/zinc/63/77/93/730637793.db2.gz UOPCVUFBJZCASC-UHFFFAOYSA-N 1 2 299.378 1.370 20 30 CDEDLO CCOc1cccc(/C=[NH+]/CCCNC(C)=O)c1O ZINC000028185587 730658372 /nfs/dbraw/zinc/65/83/72/730658372.db2.gz SRPALUXJMHUMJA-XNTDXEJSSA-N 1 2 264.325 1.736 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2cccc(OCC)c2)C1 ZINC001031446006 730661658 /nfs/dbraw/zinc/66/16/58/730661658.db2.gz OTAAAXSLMMTCIN-UHFFFAOYSA-N 1 2 274.364 1.614 20 30 CDEDLO C=CCN1CC[C@H](O[NH+]=C(N)c2ccc(F)cc2)C1=O ZINC000809994156 730689675 /nfs/dbraw/zinc/68/96/75/730689675.db2.gz ZRTNGZQZZLYPPR-LBPRGKRZSA-N 1 2 277.299 1.250 20 30 CDEDLO C#Cc1cncc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000807437803 730702320 /nfs/dbraw/zinc/70/23/20/730702320.db2.gz VADMOVGBTVMBMB-MRXNPFEDSA-N 1 2 293.326 1.751 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+][C@@H]1COc2ccccc2[C@@H]1O ZINC000843118326 730704597 /nfs/dbraw/zinc/70/45/97/730704597.db2.gz YAICTXLXQJHGBV-KYOSRNDESA-N 1 2 271.320 1.514 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)c1ccco1 ZINC001032735936 730710588 /nfs/dbraw/zinc/71/05/88/730710588.db2.gz PAHWKNIVJDIFSV-RDBSUJKOSA-N 1 2 272.348 1.692 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)c1ccco1 ZINC001032735936 730710602 /nfs/dbraw/zinc/71/06/02/730710602.db2.gz PAHWKNIVJDIFSV-RDBSUJKOSA-N 1 2 272.348 1.692 20 30 CDEDLO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001038261350 730712757 /nfs/dbraw/zinc/71/27/57/730712757.db2.gz JTFOZKWBJVLSIV-CHWSQXEVSA-N 1 2 288.395 1.596 20 30 CDEDLO C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001038261350 730712758 /nfs/dbraw/zinc/71/27/58/730712758.db2.gz JTFOZKWBJVLSIV-CHWSQXEVSA-N 1 2 288.395 1.596 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2cccnc21 ZINC001017855669 730714585 /nfs/dbraw/zinc/71/45/85/730714585.db2.gz CHKQBPCIWFKFKN-OWCLPIDISA-N 1 2 295.386 1.420 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2cccnc21 ZINC001017855669 730714591 /nfs/dbraw/zinc/71/45/91/730714591.db2.gz CHKQBPCIWFKFKN-OWCLPIDISA-N 1 2 295.386 1.420 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001030820812 730754724 /nfs/dbraw/zinc/75/47/24/730754724.db2.gz NFUPQWYYRNGUMG-LBPRGKRZSA-N 1 2 284.359 1.620 20 30 CDEDLO Cn1c[nH+]cc1CCOC(=O)[C@]1(C#N)CC12CCCC2 ZINC000837903159 730755122 /nfs/dbraw/zinc/75/51/22/730755122.db2.gz SBAFUFCIYICAIA-OAHLLOKOSA-N 1 2 273.336 1.980 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(OC)cc1C ZINC000884071413 730758003 /nfs/dbraw/zinc/75/80/03/730758003.db2.gz SZWVVNUTZCLGDJ-LBPRGKRZSA-N 1 2 292.335 1.389 20 30 CDEDLO C=CCC1(O)CC[NH+](Cn2cc[nH]c2=S)CC1 ZINC000884478445 730759978 /nfs/dbraw/zinc/75/99/78/730759978.db2.gz BGAGHJWXZRQKDI-UHFFFAOYSA-N 1 2 253.371 1.532 20 30 CDEDLO CN(C)C(=S)N[NH+]=C1CCCc2ccc(N)cc21 ZINC000814844287 730771158 /nfs/dbraw/zinc/77/11/58/730771158.db2.gz HGXBWYCDLQAVBI-UHFFFAOYSA-N 1 2 262.382 1.745 20 30 CDEDLO CC(C)C#CC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000834708889 730775490 /nfs/dbraw/zinc/77/54/90/730775490.db2.gz DGGZHXDUWIIUAF-OKILXGFUSA-N 1 2 266.385 1.213 20 30 CDEDLO CC(C)C#CC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000834708889 730775497 /nfs/dbraw/zinc/77/54/97/730775497.db2.gz DGGZHXDUWIIUAF-OKILXGFUSA-N 1 2 266.385 1.213 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2n(c1)CCCC2 ZINC001039095634 730776652 /nfs/dbraw/zinc/77/66/52/730776652.db2.gz JHIXUYSQVGSNNS-OAHLLOKOSA-N 1 2 271.364 1.262 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2n(c1)CCCC2 ZINC001039095634 730776658 /nfs/dbraw/zinc/77/66/58/730776658.db2.gz JHIXUYSQVGSNNS-OAHLLOKOSA-N 1 2 271.364 1.262 20 30 CDEDLO C#CC[C@H](NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)OC ZINC000839168189 730848677 /nfs/dbraw/zinc/84/86/77/730848677.db2.gz ZVZFPKSEHUTIMN-HNNXBMFYSA-N 1 2 283.331 1.527 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc[n+]([O-])cc2)C1 ZINC001032882922 730880614 /nfs/dbraw/zinc/88/06/14/730880614.db2.gz GMRUKPIJPLDXDC-ZDUSSCGKSA-N 1 2 295.770 1.219 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc[n+]([O-])cc2)C1 ZINC001032882922 730880616 /nfs/dbraw/zinc/88/06/16/730880616.db2.gz GMRUKPIJPLDXDC-ZDUSSCGKSA-N 1 2 295.770 1.219 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccncc1)O2 ZINC001053565187 730888595 /nfs/dbraw/zinc/88/85/95/730888595.db2.gz NICFBMMZDBNFRW-CQSZACIVSA-N 1 2 287.363 1.231 20 30 CDEDLO N#Cc1ccc(NC[C@@H](O)C[NH+]2CCOCC2)c(Cl)c1 ZINC000236549603 730891915 /nfs/dbraw/zinc/89/19/15/730891915.db2.gz PMSYKQGTMMADES-GFCCVEGCSA-N 1 2 295.770 1.317 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004397773 730894494 /nfs/dbraw/zinc/89/44/94/730894494.db2.gz QZJIYCFLDHBAAZ-JSGCOSHPSA-N 1 2 274.368 1.373 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004397773 730894491 /nfs/dbraw/zinc/89/44/91/730894491.db2.gz QZJIYCFLDHBAAZ-JSGCOSHPSA-N 1 2 274.368 1.373 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001043834442 730955757 /nfs/dbraw/zinc/95/57/57/730955757.db2.gz LVBONJBHOPZDRV-ZDUSSCGKSA-N 1 2 288.395 1.548 20 30 CDEDLO N#C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000830066318 730957687 /nfs/dbraw/zinc/95/76/87/730957687.db2.gz RRUQOKWTMKXAFI-SNVBAGLBSA-N 1 2 254.293 1.939 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2nc(C)ncc2Cl)C1 ZINC001044008058 731005446 /nfs/dbraw/zinc/00/54/46/731005446.db2.gz PHGZUCSHXASAON-UHFFFAOYSA-N 1 2 294.786 1.771 20 30 CDEDLO Cn1c[nH+]cc1COC(=O)Cc1cccc(OCC#N)c1 ZINC000810602429 731023192 /nfs/dbraw/zinc/02/31/92/731023192.db2.gz PJAAVESUMIERBA-UHFFFAOYSA-N 1 2 285.303 1.608 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(C)c(F)c2)C1 ZINC001043267228 731043605 /nfs/dbraw/zinc/04/36/05/731043605.db2.gz ZMOZRQIKQRLYBX-UHFFFAOYSA-N 1 2 274.339 1.914 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccn(-c2ccccc2)n1 ZINC001038445958 731058032 /nfs/dbraw/zinc/05/80/32/731058032.db2.gz MFNXIVRDYGZHCM-HNNXBMFYSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn(-c2ccccc2)n1 ZINC001038445958 731058037 /nfs/dbraw/zinc/05/80/37/731058037.db2.gz MFNXIVRDYGZHCM-HNNXBMFYSA-N 1 2 294.358 1.310 20 30 CDEDLO C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1NCC#N ZINC001036269635 731074121 /nfs/dbraw/zinc/07/41/21/731074121.db2.gz VSSWVBBAPYKASG-RYUDHWBXSA-N 1 2 289.383 1.037 20 30 CDEDLO N#CCSc1ccccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000135487744 731089337 /nfs/dbraw/zinc/08/93/37/731089337.db2.gz PTIQLQREYYMVLJ-UHFFFAOYSA-N 1 2 286.360 1.998 20 30 CDEDLO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)C(F)F)C[C@H]21 ZINC001074137129 731128844 /nfs/dbraw/zinc/12/88/44/731128844.db2.gz MYHHDNXUHALZBT-NEPJUHHUSA-N 1 2 288.338 1.519 20 30 CDEDLO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)C(F)F)C[C@H]21 ZINC001074137129 731128854 /nfs/dbraw/zinc/12/88/54/731128854.db2.gz MYHHDNXUHALZBT-NEPJUHHUSA-N 1 2 288.338 1.519 20 30 CDEDLO C#C[C@H]([NH2+][C@H](C)c1cc(OC)no1)[C@@H]1CCCO1 ZINC000926211473 731131496 /nfs/dbraw/zinc/13/14/96/731131496.db2.gz USWPEGZZTNLHOC-VWYCJHECSA-N 1 2 250.298 1.515 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCC3(C2)OCCO3)ccc1F ZINC000119947574 731199333 /nfs/dbraw/zinc/19/93/33/731199333.db2.gz NMTABMBZBVDHPP-UHFFFAOYSA-N 1 2 262.284 1.646 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCC3(C2)OCCO3)ccc1F ZINC000119947574 731199347 /nfs/dbraw/zinc/19/93/47/731199347.db2.gz NMTABMBZBVDHPP-UHFFFAOYSA-N 1 2 262.284 1.646 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NC[C@@]1(O)CCOC1 ZINC000820681273 731202555 /nfs/dbraw/zinc/20/25/55/731202555.db2.gz HIYYKOVCXSPJBZ-HNNXBMFYSA-N 1 2 276.336 1.437 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(F)ccc2F)C1 ZINC001030445973 731211815 /nfs/dbraw/zinc/21/18/15/731211815.db2.gz PHCQLSRHVZFXSR-UHFFFAOYSA-N 1 2 264.275 1.402 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H]2COC3(C[NH+](CC)C3)C2)cc1 ZINC001053888761 731216926 /nfs/dbraw/zinc/21/69/26/731216926.db2.gz REVVPOHCQBPGJI-OAHLLOKOSA-N 1 2 284.359 1.261 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H](C)[C@H]2CCCO2)C1 ZINC001043793864 731221942 /nfs/dbraw/zinc/22/19/42/731221942.db2.gz BTOHIKFWCMDGFV-DGCLKSJQSA-N 1 2 252.358 1.130 20 30 CDEDLO Cc1noc([C@@H](C)[NH2+][C@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001018818118 731235282 /nfs/dbraw/zinc/23/52/82/731235282.db2.gz BJFZTXDFIXIVPB-MFKMUULPSA-N 1 2 288.351 1.043 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(CCC)nc1C ZINC001038855704 731267866 /nfs/dbraw/zinc/26/78/66/731267866.db2.gz RWDWVTYGDRGRNK-AWEZNQCLSA-N 1 2 288.395 1.429 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(CCC)nc1C ZINC001038855704 731267869 /nfs/dbraw/zinc/26/78/69/731267869.db2.gz RWDWVTYGDRGRNK-AWEZNQCLSA-N 1 2 288.395 1.429 20 30 CDEDLO CCCCCCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)OC ZINC000157345431 731293709 /nfs/dbraw/zinc/29/37/09/731293709.db2.gz BQKNCMYCTXYXFJ-LBPRGKRZSA-N 1 2 270.373 1.320 20 30 CDEDLO CCCCCCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)OC ZINC000157345431 731293712 /nfs/dbraw/zinc/29/37/12/731293712.db2.gz BQKNCMYCTXYXFJ-LBPRGKRZSA-N 1 2 270.373 1.320 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2c(C)cc(C)cc2C)C1 ZINC001030889079 731297827 /nfs/dbraw/zinc/29/78/27/731297827.db2.gz QWXRTKWEAYYNLY-UHFFFAOYSA-N 1 2 284.403 1.978 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2ncc[nH]2)[C@@H]1C ZINC000994090682 731339516 /nfs/dbraw/zinc/33/95/16/731339516.db2.gz GMXVKFDXHBZXPC-RYUDHWBXSA-N 1 2 296.802 1.674 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2ncc[nH]2)[C@@H]1C ZINC000994090682 731339518 /nfs/dbraw/zinc/33/95/18/731339518.db2.gz GMXVKFDXHBZXPC-RYUDHWBXSA-N 1 2 296.802 1.674 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+](CC(=C)C)CCO2)cn1 ZINC001035581918 731341393 /nfs/dbraw/zinc/34/13/93/731341393.db2.gz QREHLKDZGJLFDW-INIZCTEOSA-N 1 2 299.374 1.070 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](CC(=C)C)CCO2)cn1 ZINC001035581918 731341397 /nfs/dbraw/zinc/34/13/97/731341397.db2.gz QREHLKDZGJLFDW-INIZCTEOSA-N 1 2 299.374 1.070 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1OCC ZINC001038984664 731350264 /nfs/dbraw/zinc/35/02/64/731350264.db2.gz HBTQLDVOLJTRNA-CYBMUJFWSA-N 1 2 272.348 1.523 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1OCC ZINC001038984664 731350267 /nfs/dbraw/zinc/35/02/67/731350267.db2.gz HBTQLDVOLJTRNA-CYBMUJFWSA-N 1 2 272.348 1.523 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(NC(C)=O)cc2)C1 ZINC001031298539 731354856 /nfs/dbraw/zinc/35/48/56/731354856.db2.gz JYYSEPOJJXIOTC-UHFFFAOYSA-N 1 2 287.363 1.635 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cn[nH]c2)CC[C@H]1C ZINC001071368675 731363077 /nfs/dbraw/zinc/36/30/77/731363077.db2.gz GEPAQVJUXQVPCE-PWSUYJOCSA-N 1 2 282.775 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cn[nH]c2)CC[C@H]1C ZINC001071368675 731363078 /nfs/dbraw/zinc/36/30/78/731363078.db2.gz GEPAQVJUXQVPCE-PWSUYJOCSA-N 1 2 282.775 1.745 20 30 CDEDLO C#Cc1cncc(C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000798299393 731367083 /nfs/dbraw/zinc/36/70/83/731367083.db2.gz HNMKDLUDXGXNFD-UHFFFAOYSA-N 1 2 276.299 1.641 20 30 CDEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C(C)(C)CC)CC1 ZINC001070992446 731373881 /nfs/dbraw/zinc/37/38/81/731373881.db2.gz IYNRBJHEHFSXMI-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C(C)(C)CC)CC1 ZINC001070992446 731373887 /nfs/dbraw/zinc/37/38/87/731373887.db2.gz IYNRBJHEHFSXMI-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)n2nc(C)cc2C)C1 ZINC001031470142 731376939 /nfs/dbraw/zinc/37/69/39/731376939.db2.gz OAQPJSIZTCOSBW-CYBMUJFWSA-N 1 2 276.384 1.437 20 30 CDEDLO C=C[C@H](CC)CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000935934328 731401783 /nfs/dbraw/zinc/40/17/83/731401783.db2.gz QIVWXJHPRFPHLP-ZNMIVQPWSA-N 1 2 280.412 1.910 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(C)o2)CC1 ZINC000824867749 731404442 /nfs/dbraw/zinc/40/44/42/731404442.db2.gz WBFRDUOVSXELOG-UHFFFAOYSA-N 1 2 262.309 1.867 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C)n2nc(C)cc2C)C1 ZINC001044362235 731423852 /nfs/dbraw/zinc/42/38/52/731423852.db2.gz UDRBAVORKUERHK-AWEZNQCLSA-N 1 2 290.411 1.780 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccc(OC)cc1 ZINC001032769320 731428545 /nfs/dbraw/zinc/42/85/45/731428545.db2.gz FCSJVZGEYKDPRI-HOTGVXAUSA-N 1 2 298.386 1.546 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccc(OC)cc1 ZINC001032769320 731428552 /nfs/dbraw/zinc/42/85/52/731428552.db2.gz FCSJVZGEYKDPRI-HOTGVXAUSA-N 1 2 298.386 1.546 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(-n3cccn3)c2)C1 ZINC001031106178 731447582 /nfs/dbraw/zinc/44/75/82/731447582.db2.gz UFJZPTQYUNWKKZ-UHFFFAOYSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ncccc1Cl ZINC001038936756 731453523 /nfs/dbraw/zinc/45/35/23/731453523.db2.gz ZYKRMVJIOQNHLX-JTQLQIEISA-N 1 2 263.728 1.172 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncccc1Cl ZINC001038936756 731453524 /nfs/dbraw/zinc/45/35/24/731453524.db2.gz ZYKRMVJIOQNHLX-JTQLQIEISA-N 1 2 263.728 1.172 20 30 CDEDLO Cc1ncc(C[N@@H+]2CCCN(C(=O)C#CC3CC3)CC2)o1 ZINC000981126465 731458900 /nfs/dbraw/zinc/45/89/00/731458900.db2.gz WUAFGBVNBMSLEK-UHFFFAOYSA-N 1 2 287.363 1.431 20 30 CDEDLO Cc1ncc(C[N@H+]2CCCN(C(=O)C#CC3CC3)CC2)o1 ZINC000981126465 731458902 /nfs/dbraw/zinc/45/89/02/731458902.db2.gz WUAFGBVNBMSLEK-UHFFFAOYSA-N 1 2 287.363 1.431 20 30 CDEDLO C=C(C)C[N@@H+](C)CN1C(=O)C(C)(C)[C@H]1c1cnn(C)c1 ZINC000808177115 731472423 /nfs/dbraw/zinc/47/24/23/731472423.db2.gz ONCYTVSGIFVDEQ-CYBMUJFWSA-N 1 2 276.384 1.795 20 30 CDEDLO C=C(C)C[N@H+](C)CN1C(=O)C(C)(C)[C@H]1c1cnn(C)c1 ZINC000808177115 731472424 /nfs/dbraw/zinc/47/24/24/731472424.db2.gz ONCYTVSGIFVDEQ-CYBMUJFWSA-N 1 2 276.384 1.795 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(F)cc1 ZINC001038007903 731487238 /nfs/dbraw/zinc/48/72/38/731487238.db2.gz UYXYDRCRFBMXOA-AWEZNQCLSA-N 1 2 260.312 1.653 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(F)cc1 ZINC001038007903 731487248 /nfs/dbraw/zinc/48/72/48/731487248.db2.gz UYXYDRCRFBMXOA-AWEZNQCLSA-N 1 2 260.312 1.653 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCN(C)c3ccccc32)C1 ZINC001030467652 731494071 /nfs/dbraw/zinc/49/40/71/731494071.db2.gz WATBURDSNWRTCK-INIZCTEOSA-N 1 2 297.402 1.434 20 30 CDEDLO C(=[NH+]N[C@H]1CCOC1)c1ccc(N2CCCCC2)o1 ZINC000788439121 731519290 /nfs/dbraw/zinc/51/92/90/731519290.db2.gz ITEYZLRMIYPWFC-LBPRGKRZSA-N 1 2 263.341 1.982 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000781977544 731526963 /nfs/dbraw/zinc/52/69/63/731526963.db2.gz KJVGMROBKCHBGE-CMPLNLGQSA-N 1 2 292.301 1.168 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000781977544 731526970 /nfs/dbraw/zinc/52/69/70/731526970.db2.gz KJVGMROBKCHBGE-CMPLNLGQSA-N 1 2 292.301 1.168 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N(C)C)cn1 ZINC001018324453 731535534 /nfs/dbraw/zinc/53/55/34/731535534.db2.gz XZIHDYGAECGBAE-GASCZTMLSA-N 1 2 298.390 1.070 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N(C)C)cn1 ZINC001018324453 731535535 /nfs/dbraw/zinc/53/55/35/731535535.db2.gz XZIHDYGAECGBAE-GASCZTMLSA-N 1 2 298.390 1.070 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1C1CCC1 ZINC001032408185 731535955 /nfs/dbraw/zinc/53/59/55/731535955.db2.gz MTJNOZINVMGRQU-GJZGRUSLSA-N 1 2 298.390 1.530 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnn1C1CCC1 ZINC001032408185 731535960 /nfs/dbraw/zinc/53/59/60/731535960.db2.gz MTJNOZINVMGRQU-GJZGRUSLSA-N 1 2 298.390 1.530 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2cnoc2C(C)C)C1 ZINC001031192616 731564494 /nfs/dbraw/zinc/56/44/94/731564494.db2.gz DNZOCWRVDVLVOW-UHFFFAOYSA-N 1 2 263.341 1.788 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cn1cc(C)cnc1=S ZINC000853619822 731578196 /nfs/dbraw/zinc/57/81/96/731578196.db2.gz LHGJKFJDFVGEIM-UHFFFAOYSA-N 1 2 265.382 1.850 20 30 CDEDLO C#CCC[N@H+](CCOC)Cn1cc(C)cnc1=S ZINC000853619822 731578203 /nfs/dbraw/zinc/57/82/03/731578203.db2.gz LHGJKFJDFVGEIM-UHFFFAOYSA-N 1 2 265.382 1.850 20 30 CDEDLO COc1cccc([C@@H]2CN(C(=O)[C@@H](C)C#N)CC[NH2+]2)c1 ZINC000870149300 731606459 /nfs/dbraw/zinc/60/64/59/731606459.db2.gz HTSUZXGEJJMGJD-FZMZJTMJSA-N 1 2 273.336 1.328 20 30 CDEDLO C#CCC1(O)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000882529579 731610808 /nfs/dbraw/zinc/61/08/08/731610808.db2.gz OLTVWMYHVPZUQH-ZDUSSCGKSA-N 1 2 275.352 1.211 20 30 CDEDLO C#CCSCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845590614 731670702 /nfs/dbraw/zinc/67/07/02/731670702.db2.gz VILJRWVEDAOAJS-NSHDSACASA-N 1 2 251.355 1.317 20 30 CDEDLO N#CCC1CC[NH+](CN2C(=O)c3cccc(N)c3C2=O)CC1 ZINC000781572581 731761342 /nfs/dbraw/zinc/76/13/42/731761342.db2.gz SZPLJBYXKBVSQI-UHFFFAOYSA-N 1 2 298.346 1.448 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(C)nc1C(C)C ZINC001038781788 731814179 /nfs/dbraw/zinc/81/41/79/731814179.db2.gz QBWDXPQRMXLHNK-CYBMUJFWSA-N 1 2 286.379 1.346 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(C)nc1C(C)C ZINC001038781788 731814182 /nfs/dbraw/zinc/81/41/82/731814182.db2.gz QBWDXPQRMXLHNK-CYBMUJFWSA-N 1 2 286.379 1.346 20 30 CDEDLO C#CCSCC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000889539505 731819870 /nfs/dbraw/zinc/81/98/70/731819870.db2.gz ISWNEWAUCUHDCW-KBPBESRZSA-N 1 2 296.436 1.112 20 30 CDEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+]1CC#CC ZINC001038344298 731822809 /nfs/dbraw/zinc/82/28/09/731822809.db2.gz GWPIIVQLSAQXEW-CQSZACIVSA-N 1 2 271.364 1.502 20 30 CDEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+]1CC#CC ZINC001038344298 731822811 /nfs/dbraw/zinc/82/28/11/731822811.db2.gz GWPIIVQLSAQXEW-CQSZACIVSA-N 1 2 271.364 1.502 20 30 CDEDLO Cn1nncc1N[NH+]=C1CCCc2ccc(N)cc21 ZINC000814981621 731828223 /nfs/dbraw/zinc/82/82/23/731828223.db2.gz DDHSEDZXUAGGJB-UHFFFAOYSA-N 1 2 256.313 1.550 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)ccn1 ZINC001017789333 731833441 /nfs/dbraw/zinc/83/34/41/731833441.db2.gz MNYYYTWITFMFAD-OKILXGFUSA-N 1 2 299.374 1.402 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)ccn1 ZINC001017789333 731833443 /nfs/dbraw/zinc/83/34/43/731833443.db2.gz MNYYYTWITFMFAD-OKILXGFUSA-N 1 2 299.374 1.402 20 30 CDEDLO C=CCNc1ncc(C(=O)NC2C[NH+](C(C)C)C2)s1 ZINC000839731662 731834557 /nfs/dbraw/zinc/83/45/57/731834557.db2.gz UKTNDSFFUOVNTM-UHFFFAOYSA-N 1 2 280.397 1.563 20 30 CDEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)Cc2cccnc2)cc1 ZINC000137637216 731836948 /nfs/dbraw/zinc/83/69/48/731836948.db2.gz HGYCBDOKHBEZMI-UHFFFAOYSA-N 1 2 298.346 1.860 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ncc(Cl)s3)[C@@H]2C1 ZINC001076032075 731864744 /nfs/dbraw/zinc/86/47/44/731864744.db2.gz HVWVUULUAXZLPE-VHSXEESVSA-N 1 2 295.795 1.576 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ncc(Cl)s3)[C@@H]2C1 ZINC001076032075 731864746 /nfs/dbraw/zinc/86/47/46/731864746.db2.gz HVWVUULUAXZLPE-VHSXEESVSA-N 1 2 295.795 1.576 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2cccc(F)c2)C1 ZINC001031352588 731876326 /nfs/dbraw/zinc/87/63/26/731876326.db2.gz AOKGEVXDFVLBFA-UHFFFAOYSA-N 1 2 260.312 1.192 20 30 CDEDLO C=CC[N@@H+](CCC#N)C[C@H](O)CC1(O)CCCCC1 ZINC000878639780 731884565 /nfs/dbraw/zinc/88/45/65/731884565.db2.gz VBFYFGYLXQLTBM-CQSZACIVSA-N 1 2 266.385 1.834 20 30 CDEDLO C=CC[N@H+](CCC#N)C[C@H](O)CC1(O)CCCCC1 ZINC000878639780 731884569 /nfs/dbraw/zinc/88/45/69/731884569.db2.gz VBFYFGYLXQLTBM-CQSZACIVSA-N 1 2 266.385 1.834 20 30 CDEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC#CC)C1 ZINC001032614652 731889665 /nfs/dbraw/zinc/88/96/65/731889665.db2.gz VWJCPUKYGLTHNM-KBPBESRZSA-N 1 2 258.365 1.651 20 30 CDEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC#CC)C1 ZINC001032614652 731889668 /nfs/dbraw/zinc/88/96/68/731889668.db2.gz VWJCPUKYGLTHNM-KBPBESRZSA-N 1 2 258.365 1.651 20 30 CDEDLO C=CCCC(=O)N(C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001066987116 731896645 /nfs/dbraw/zinc/89/66/45/731896645.db2.gz HPXJXOPSMGHWPM-UHFFFAOYSA-N 1 2 292.383 1.225 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)cc1 ZINC001038960857 731908282 /nfs/dbraw/zinc/90/82/82/731908282.db2.gz QVOFUMYUPFHBKW-CYBMUJFWSA-N 1 2 258.321 1.133 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)cc1 ZINC001038960857 731908285 /nfs/dbraw/zinc/90/82/85/731908285.db2.gz QVOFUMYUPFHBKW-CYBMUJFWSA-N 1 2 258.321 1.133 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1CC ZINC001017691962 731912077 /nfs/dbraw/zinc/91/20/77/731912077.db2.gz WGRZRCJWGABYQJ-GASCZTMLSA-N 1 2 283.375 1.566 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1CC ZINC001017691962 731912082 /nfs/dbraw/zinc/91/20/82/731912082.db2.gz WGRZRCJWGABYQJ-GASCZTMLSA-N 1 2 283.375 1.566 20 30 CDEDLO Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)no1 ZINC001075774491 731923905 /nfs/dbraw/zinc/92/39/05/731923905.db2.gz CGDQINHHOLULLE-GOEBONIOSA-N 1 2 299.374 1.429 20 30 CDEDLO Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)no1 ZINC001075774491 731923913 /nfs/dbraw/zinc/92/39/13/731923913.db2.gz CGDQINHHOLULLE-GOEBONIOSA-N 1 2 299.374 1.429 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc2nc[nH]c21 ZINC001028220270 731926879 /nfs/dbraw/zinc/92/68/79/731926879.db2.gz SOBGXVNJRPHRGK-GFCCVEGCSA-N 1 2 282.347 1.390 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc2nc[nH]c21 ZINC001028220270 731926885 /nfs/dbraw/zinc/92/68/85/731926885.db2.gz SOBGXVNJRPHRGK-GFCCVEGCSA-N 1 2 282.347 1.390 20 30 CDEDLO C[C@@H](CNC(=O)c1cc(C#N)ccc1F)Cn1cc[nH+]c1 ZINC000828403736 731932800 /nfs/dbraw/zinc/93/28/00/731932800.db2.gz NDWYIIGKUSCFAS-NSHDSACASA-N 1 2 286.310 1.960 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2ccccc2c1C ZINC001038534071 731975712 /nfs/dbraw/zinc/97/57/12/731975712.db2.gz VCXHDHODOONXSA-CQSZACIVSA-N 1 2 293.370 1.981 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2ccccc2c1C ZINC001038534071 731975719 /nfs/dbraw/zinc/97/57/19/731975719.db2.gz VCXHDHODOONXSA-CQSZACIVSA-N 1 2 293.370 1.981 20 30 CDEDLO Cc1nc(N(C)[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001061175128 731980978 /nfs/dbraw/zinc/98/09/78/731980978.db2.gz DOTFXCSETWYLKB-WCQYABFASA-N 1 2 287.367 1.372 20 30 CDEDLO C#CCCN(CC(F)(F)F)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000787273240 731994801 /nfs/dbraw/zinc/99/48/01/731994801.db2.gz CDAFFDDQTORKKY-NSHDSACASA-N 1 2 299.296 1.860 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2ccccc21 ZINC001032597572 731995659 /nfs/dbraw/zinc/99/56/59/731995659.db2.gz VMLOLTDJGSMEND-YQQAZPJKSA-N 1 2 280.371 1.635 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2ccccc21 ZINC001032597572 731995661 /nfs/dbraw/zinc/99/56/61/731995661.db2.gz VMLOLTDJGSMEND-YQQAZPJKSA-N 1 2 280.371 1.635 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cncn2C)C1 ZINC001034295746 732006445 /nfs/dbraw/zinc/00/64/45/732006445.db2.gz GQGCENXHIUJRCP-LBPRGKRZSA-N 1 2 296.802 1.757 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cncn2C)C1 ZINC001034295746 732006449 /nfs/dbraw/zinc/00/64/49/732006449.db2.gz GQGCENXHIUJRCP-LBPRGKRZSA-N 1 2 296.802 1.757 20 30 CDEDLO N#Cc1ccc(CNC(=O)Nc2ccn3cc[nH+]c3c2)nc1 ZINC000810228854 732031403 /nfs/dbraw/zinc/03/14/03/732031403.db2.gz MQLZIZLFTJCXNM-UHFFFAOYSA-N 1 2 292.302 1.923 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000874703193 732065735 /nfs/dbraw/zinc/06/57/35/732065735.db2.gz OODDQJGDNUHKEK-KGLIPLIRSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000874703193 732065741 /nfs/dbraw/zinc/06/57/41/732065741.db2.gz OODDQJGDNUHKEK-KGLIPLIRSA-N 1 2 284.400 1.195 20 30 CDEDLO C#CCC1(NC(=O)/C=C(/C)C[NH+]2CCOCC2)CCC1 ZINC000886802593 732068051 /nfs/dbraw/zinc/06/80/51/732068051.db2.gz QODWVZDSXLOVKG-OWBHPGMISA-N 1 2 276.380 1.327 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(F)F)C2)s1 ZINC001009807566 732080328 /nfs/dbraw/zinc/08/03/28/732080328.db2.gz FRBVERILAXDGOD-MRVPVSSYSA-N 1 2 285.319 1.575 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(F)F)C2)s1 ZINC001009807566 732080338 /nfs/dbraw/zinc/08/03/38/732080338.db2.gz FRBVERILAXDGOD-MRVPVSSYSA-N 1 2 285.319 1.575 20 30 CDEDLO C#CC[C@H](CCOC)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000861037461 732082861 /nfs/dbraw/zinc/08/28/61/732082861.db2.gz YCCLAUPJANDOHG-GFCCVEGCSA-N 1 2 286.335 1.884 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ncoc1C)O2 ZINC001053576003 732090156 /nfs/dbraw/zinc/09/01/56/732090156.db2.gz LAUMBMWBVMHDFI-LBPRGKRZSA-N 1 2 291.351 1.132 20 30 CDEDLO Cc1nc(N2C[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@]3(C)C2)cc[nH+]1 ZINC001052234654 732112389 /nfs/dbraw/zinc/11/23/89/732112389.db2.gz SLGFRBZQYUWNMB-KFNAQCHYSA-N 1 2 299.378 1.229 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C(=O)OC)[C@@H](C)CC)C1=O ZINC000930311093 732119686 /nfs/dbraw/zinc/11/96/86/732119686.db2.gz YXXDOMIRXNEIKZ-AVGNSLFASA-N 1 2 282.384 1.293 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C(=O)OC)[C@@H](C)CC)C1=O ZINC000930311093 732119691 /nfs/dbraw/zinc/11/96/91/732119691.db2.gz YXXDOMIRXNEIKZ-AVGNSLFASA-N 1 2 282.384 1.293 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)c(OC)c1 ZINC001038480013 732144664 /nfs/dbraw/zinc/14/46/64/732144664.db2.gz MANOSFMFLRFPIQ-OAHLLOKOSA-N 1 2 286.375 1.831 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)c(OC)c1 ZINC001038480013 732144673 /nfs/dbraw/zinc/14/46/73/732144673.db2.gz MANOSFMFLRFPIQ-OAHLLOKOSA-N 1 2 286.375 1.831 20 30 CDEDLO C#Cc1cnc(N2CC[NH+](Cc3ccncc3)CC2)nc1 ZINC000827304314 732182321 /nfs/dbraw/zinc/18/23/21/732182321.db2.gz YBFZLELKCIXQBY-UHFFFAOYSA-N 1 2 279.347 1.175 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC1(F)F)CO2 ZINC001053839373 732225512 /nfs/dbraw/zinc/22/55/12/732225512.db2.gz CYLCLIMHLAQJLC-VXGBXAGGSA-N 1 2 298.333 1.015 20 30 CDEDLO C#CCCCCCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000780371161 732234365 /nfs/dbraw/zinc/23/43/65/732234365.db2.gz ZOPALQFNVJTXEE-AWEZNQCLSA-N 1 2 266.385 1.407 20 30 CDEDLO C#CCC(C)(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000184904924 732243420 /nfs/dbraw/zinc/24/34/20/732243420.db2.gz CUQJBUUPIWUYKU-UHFFFAOYSA-N 1 2 266.385 1.263 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 ZINC000825549110 732243697 /nfs/dbraw/zinc/24/36/97/732243697.db2.gz JPROOQBNIRBGTL-UHFFFAOYSA-N 1 2 286.379 1.001 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccoc1C)CCO2 ZINC001053148431 732246398 /nfs/dbraw/zinc/24/63/98/732246398.db2.gz UTFIDFDDPDQVPK-UHFFFAOYSA-N 1 2 290.363 1.691 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C1=COCCO1 ZINC001027726876 732296298 /nfs/dbraw/zinc/29/62/98/732296298.db2.gz XWUCOFRKTDZYGA-LLVKDONJSA-N 1 2 286.759 1.208 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C1=COCCO1 ZINC001027726876 732296302 /nfs/dbraw/zinc/29/63/02/732296302.db2.gz XWUCOFRKTDZYGA-LLVKDONJSA-N 1 2 286.759 1.208 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)c2c1CCC2 ZINC001039062044 732312821 /nfs/dbraw/zinc/31/28/21/732312821.db2.gz QQBFYOILDVLZFV-CQSZACIVSA-N 1 2 282.387 1.921 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)c2c1CCC2 ZINC001039062044 732312828 /nfs/dbraw/zinc/31/28/28/732312828.db2.gz QQBFYOILDVLZFV-CQSZACIVSA-N 1 2 282.387 1.921 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc3cccnc3n2)CC1 ZINC000825078109 732323021 /nfs/dbraw/zinc/32/30/21/732323021.db2.gz UCHJKFJFBLCOPN-UHFFFAOYSA-N 1 2 294.358 1.411 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(C)s1 ZINC001038101228 732343150 /nfs/dbraw/zinc/34/31/50/732343150.db2.gz YVDYDPSMDYQCFG-SNVBAGLBSA-N 1 2 251.355 1.442 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(C)s1 ZINC001038101228 732343144 /nfs/dbraw/zinc/34/31/44/732343144.db2.gz YVDYDPSMDYQCFG-SNVBAGLBSA-N 1 2 251.355 1.442 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2nc3cccnc3s2)C1 ZINC001014747672 732345836 /nfs/dbraw/zinc/34/58/36/732345836.db2.gz UPIREMKXJGMUSY-JTQLQIEISA-N 1 2 286.360 1.129 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2nc3cccnc3s2)C1 ZINC001014747672 732345843 /nfs/dbraw/zinc/34/58/43/732345843.db2.gz UPIREMKXJGMUSY-JTQLQIEISA-N 1 2 286.360 1.129 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C)[C@H]2CCCO2)C1 ZINC001043796106 732352843 /nfs/dbraw/zinc/35/28/43/732352843.db2.gz NOKWFZHIVVCAAM-TZMCWYRMSA-N 1 2 266.385 1.520 20 30 CDEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)C[C@H](O)CC#N ZINC000930345925 732356985 /nfs/dbraw/zinc/35/69/85/732356985.db2.gz YLFVEKBKCBKILH-UKRRQHHQSA-N 1 2 289.379 1.412 20 30 CDEDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)C[C@H](O)CC#N ZINC000930345925 732356992 /nfs/dbraw/zinc/35/69/92/732356992.db2.gz YLFVEKBKCBKILH-UKRRQHHQSA-N 1 2 289.379 1.412 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2n[nH]c3c2CCCC3)C1 ZINC001043207762 732363815 /nfs/dbraw/zinc/36/38/15/732363815.db2.gz VCAJBQHPYRRQJU-UHFFFAOYSA-N 1 2 286.379 1.068 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cccc(F)c1C ZINC000884070956 732364613 /nfs/dbraw/zinc/36/46/13/732364613.db2.gz DHYLLJCTHXSTDQ-NSHDSACASA-N 1 2 280.299 1.519 20 30 CDEDLO C#Cc1cncc(C(=O)N(C)C2C[NH+](CC(=C)C)C2)c1 ZINC001043822460 732371437 /nfs/dbraw/zinc/37/14/37/732371437.db2.gz SRRGXCJPAPVBRD-UHFFFAOYSA-N 1 2 269.348 1.395 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(C)CC3)C[C@H]21 ZINC001074252668 732372942 /nfs/dbraw/zinc/37/29/42/732372942.db2.gz POPBPNMYEKCHKO-ZIAGYGMSSA-N 1 2 278.396 1.664 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3(C)CC3)C[C@H]21 ZINC001074252668 732372946 /nfs/dbraw/zinc/37/29/46/732372946.db2.gz POPBPNMYEKCHKO-ZIAGYGMSSA-N 1 2 278.396 1.664 20 30 CDEDLO C#CC[NH+]1CCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000077188488 732414607 /nfs/dbraw/zinc/41/46/07/732414607.db2.gz WBEKVMNEDFJOBG-UHFFFAOYSA-N 1 2 277.331 1.257 20 30 CDEDLO C#CC[C@@H](CO)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000816670331 732474527 /nfs/dbraw/zinc/47/45/27/732474527.db2.gz RTAKCQWFSFFIFP-HNNXBMFYSA-N 1 2 283.331 1.045 20 30 CDEDLO COCCN(C)c1ccc(C=[NH+]OCC(F)F)cn1 ZINC000790175191 732519181 /nfs/dbraw/zinc/51/91/81/732519181.db2.gz FFCQMAKSLVGQDX-UHFFFAOYSA-N 1 2 273.283 1.780 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(F)c2C)C1 ZINC001030349912 732528802 /nfs/dbraw/zinc/52/88/02/732528802.db2.gz JYPWTRAXXXRSTH-UHFFFAOYSA-N 1 2 260.312 1.571 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cncc(C)c2)C1 ZINC001015408338 732536582 /nfs/dbraw/zinc/53/65/82/732536582.db2.gz PEVAUJNRNATBRQ-CQSZACIVSA-N 1 2 293.798 1.876 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cncc(C)c2)C1 ZINC001015408338 732536585 /nfs/dbraw/zinc/53/65/85/732536585.db2.gz PEVAUJNRNATBRQ-CQSZACIVSA-N 1 2 293.798 1.876 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C(C)(C)c2cccc(F)c2)C1 ZINC001030944464 732548828 /nfs/dbraw/zinc/54/88/28/732548828.db2.gz MTCHPDRAJKLLRS-UHFFFAOYSA-N 1 2 288.366 1.927 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)SC)CCO2 ZINC001053165439 732557202 /nfs/dbraw/zinc/55/72/02/732557202.db2.gz USZIFXKFCNXAAX-LBPRGKRZSA-N 1 2 284.425 1.227 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)C1 ZINC001030853230 732593371 /nfs/dbraw/zinc/59/33/71/732593371.db2.gz UTODEFGOZSXNFD-GHMZBOCLSA-N 1 2 288.313 1.789 20 30 CDEDLO N#CCN[C@H]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000981170864 732593994 /nfs/dbraw/zinc/59/39/94/732593994.db2.gz RCSDYAXVSUCNQR-STQMWFEESA-N 1 2 297.362 1.717 20 30 CDEDLO C#Cc1cnc(N[C@H]2CCN(c3cccc[nH+]3)C2)nc1 ZINC000827808256 732627023 /nfs/dbraw/zinc/62/70/23/732627023.db2.gz XROAXTBQHGSHIM-ZDUSSCGKSA-N 1 2 265.320 1.544 20 30 CDEDLO C#CCSCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000810230302 732646409 /nfs/dbraw/zinc/64/64/09/732646409.db2.gz FGXOEXLJBJJDAY-UHFFFAOYSA-N 1 2 274.349 1.822 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cc(=O)c3ccccc3o2)C1 ZINC001016154136 732673337 /nfs/dbraw/zinc/67/33/37/732673337.db2.gz SLFDSYIWMRKSEX-LBPRGKRZSA-N 1 2 296.326 1.230 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(=O)c3ccccc3o2)C1 ZINC001016154136 732673341 /nfs/dbraw/zinc/67/33/41/732673341.db2.gz SLFDSYIWMRKSEX-LBPRGKRZSA-N 1 2 296.326 1.230 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2ccccc21 ZINC001038403083 732675933 /nfs/dbraw/zinc/67/59/33/732675933.db2.gz BJDTZHIUMUMLNF-DOTOQJQBSA-N 1 2 282.387 1.930 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2ccccc21 ZINC001038403083 732675939 /nfs/dbraw/zinc/67/59/39/732675939.db2.gz BJDTZHIUMUMLNF-DOTOQJQBSA-N 1 2 282.387 1.930 20 30 CDEDLO C#CC[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000888040227 732700375 /nfs/dbraw/zinc/70/03/75/732700375.db2.gz HSWITHLYUILSTQ-CQSZACIVSA-N 1 2 293.411 1.152 20 30 CDEDLO C#CC[C@@H]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000888040227 732700381 /nfs/dbraw/zinc/70/03/81/732700381.db2.gz HSWITHLYUILSTQ-CQSZACIVSA-N 1 2 293.411 1.152 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCCOC2)CC1 ZINC001000503713 732729296 /nfs/dbraw/zinc/72/92/96/732729296.db2.gz DRXMQSPAKXEZFA-CQSZACIVSA-N 1 2 298.814 1.914 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCOC2)CC1 ZINC001000503713 732729302 /nfs/dbraw/zinc/72/93/02/732729302.db2.gz DRXMQSPAKXEZFA-CQSZACIVSA-N 1 2 298.814 1.914 20 30 CDEDLO CC[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1cccc(C#N)c1O ZINC000926319261 732739911 /nfs/dbraw/zinc/73/99/11/732739911.db2.gz AJQAQARZVMMBLJ-WPGHFRTFSA-N 1 2 290.363 1.844 20 30 CDEDLO O=C1C=C([NH2+]Nc2ccnc(F)c2)[C@H]2CCCCN12 ZINC000799485416 732741585 /nfs/dbraw/zinc/74/15/85/732741585.db2.gz ORZSGJNGWFFIRX-LLVKDONJSA-N 1 2 262.288 1.773 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccnn2-c2ccccc2)C1 ZINC001030537140 732771960 /nfs/dbraw/zinc/77/19/60/732771960.db2.gz UPEVJMFUHQJHQI-UHFFFAOYSA-N 1 2 294.358 1.310 20 30 CDEDLO C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C2=NC(=O)N(C)C2)C1 ZINC000989396916 732803134 /nfs/dbraw/zinc/80/31/34/732803134.db2.gz HSGPTKOBXJVRMY-VHSXEESVSA-N 1 2 298.774 1.071 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2oc(CC)cc2C)C1 ZINC001035582268 732827030 /nfs/dbraw/zinc/82/70/30/732827030.db2.gz YRTBPWRNVCGRSD-AWEZNQCLSA-N 1 2 292.379 1.767 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2oc(CC)cc2C)C1 ZINC001035582268 732827031 /nfs/dbraw/zinc/82/70/31/732827031.db2.gz YRTBPWRNVCGRSD-AWEZNQCLSA-N 1 2 292.379 1.767 20 30 CDEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C3(C)CC3)C2)CC1 ZINC001052030542 732856710 /nfs/dbraw/zinc/85/67/10/732856710.db2.gz QFJDITJPVUDBEW-OAHLLOKOSA-N 1 2 291.439 1.581 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(-c2cnco2)cc1 ZINC001038421194 732860901 /nfs/dbraw/zinc/86/09/01/732860901.db2.gz ZBWJIWACHYAVMI-HNNXBMFYSA-N 1 2 295.342 1.779 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-c2cnco2)cc1 ZINC001038421194 732860902 /nfs/dbraw/zinc/86/09/02/732860902.db2.gz ZBWJIWACHYAVMI-HNNXBMFYSA-N 1 2 295.342 1.779 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ncn(C)n2)[C@H]1C ZINC000993298789 732865232 /nfs/dbraw/zinc/86/52/32/732865232.db2.gz MGMOGICJUUTXDB-MNOVXSKESA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ncn(C)n2)[C@H]1C ZINC000993298789 732865238 /nfs/dbraw/zinc/86/52/38/732865238.db2.gz MGMOGICJUUTXDB-MNOVXSKESA-N 1 2 297.790 1.150 20 30 CDEDLO C#CCN1CC[N@H+](CC#C)[C@H](Cc2cccc(OC)c2)C1 ZINC000886384460 732871210 /nfs/dbraw/zinc/87/12/10/732871210.db2.gz RXWHINUEIZUYKA-QGZVFWFLSA-N 1 2 282.387 1.490 20 30 CDEDLO C#CCN1CC[N@@H+](CC#C)[C@H](Cc2cccc(OC)c2)C1 ZINC000886384460 732871211 /nfs/dbraw/zinc/87/12/11/732871211.db2.gz RXWHINUEIZUYKA-QGZVFWFLSA-N 1 2 282.387 1.490 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2c(C)noc2CCC)C1 ZINC001030302503 732872854 /nfs/dbraw/zinc/87/28/54/732872854.db2.gz KLNDNCRRYHXCPT-UHFFFAOYSA-N 1 2 277.368 1.926 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(Cl)cn2C)C1 ZINC001043280982 732880769 /nfs/dbraw/zinc/88/07/69/732880769.db2.gz SJJKIXRIURUDOH-UHFFFAOYSA-N 1 2 279.771 1.458 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CC(=C)Cl)C1 ZINC001046630999 732887041 /nfs/dbraw/zinc/88/70/41/732887041.db2.gz BMWZKLZISFVEFZ-IPYPFGDCSA-N 1 2 298.814 1.911 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC(=C)Cl)C1 ZINC001046630999 732887043 /nfs/dbraw/zinc/88/70/43/732887043.db2.gz BMWZKLZISFVEFZ-IPYPFGDCSA-N 1 2 298.814 1.911 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCOc3ccccc32)C1 ZINC001031110309 732888698 /nfs/dbraw/zinc/88/86/98/732888698.db2.gz LQNRJOASKGNMAM-HNNXBMFYSA-N 1 2 286.375 1.929 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C(C)C)nc1C ZINC001038697598 732933462 /nfs/dbraw/zinc/93/34/62/732933462.db2.gz BPVDFGRQZKQPRB-AWEZNQCLSA-N 1 2 285.391 1.951 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(C)C)nc1C ZINC001038697598 732933476 /nfs/dbraw/zinc/93/34/76/732933476.db2.gz BPVDFGRQZKQPRB-AWEZNQCLSA-N 1 2 285.391 1.951 20 30 CDEDLO C#CCCN(CC(F)(F)F)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000787273239 732951253 /nfs/dbraw/zinc/95/12/53/732951253.db2.gz CDAFFDDQTORKKY-LLVKDONJSA-N 1 2 299.296 1.860 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCC1(C#N)CCC1 ZINC000922921717 732966391 /nfs/dbraw/zinc/96/63/91/732966391.db2.gz IYNFBFZNBZJKRV-ZDUSSCGKSA-N 1 2 294.399 1.090 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cccn1 ZINC001018153924 733016311 /nfs/dbraw/zinc/01/63/11/733016311.db2.gz BRWQWUSKALUGTC-KFWWJZLASA-N 1 2 286.379 1.143 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cccn1 ZINC001018153924 733016315 /nfs/dbraw/zinc/01/63/15/733016315.db2.gz BRWQWUSKALUGTC-KFWWJZLASA-N 1 2 286.379 1.143 20 30 CDEDLO 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N#CCN(Cc1ccccc1)C(=O)CCn1cc[nH+]c1 ZINC001176877328 914326801 /nfs/dbraw/zinc/32/68/01/914326801.db2.gz AMLRYTPQQXUECE-UHFFFAOYSA-N 1 2 268.320 1.826 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccccc2OC)C1 ZINC001031296307 914351196 /nfs/dbraw/zinc/35/11/96/914351196.db2.gz QGHDJMAARBNUIU-UHFFFAOYSA-N 1 2 258.321 1.133 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC=C)C1 ZINC001267962434 900090472 /nfs/dbraw/zinc/09/04/72/900090472.db2.gz NLBLBJYJXNURFY-CQSZACIVSA-N 1 2 293.411 1.226 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC=C)C1 ZINC001267962434 900090481 /nfs/dbraw/zinc/09/04/81/900090481.db2.gz NLBLBJYJXNURFY-CQSZACIVSA-N 1 2 293.411 1.226 20 30 CDEDLO C#CCCCCCC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000780527399 900165982 /nfs/dbraw/zinc/16/59/82/900165982.db2.gz AVVDIDHVCGREPT-HNNXBMFYSA-N 1 2 279.428 1.322 20 30 CDEDLO C#CCCCCC(=O)NCC[NH2+][C@H](C)c1nnc(CC)o1 ZINC001125946049 900173163 /nfs/dbraw/zinc/17/31/63/900173163.db2.gz RJBGVMLXFLCOJE-GFCCVEGCSA-N 1 2 292.383 1.592 20 30 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/nfs/dbraw/zinc/22/69/28/921226928.db2.gz GGOCUDFZAAKYRR-SNVBAGLBSA-N 1 2 282.413 1.907 20 30 CDEDLO Cc1cncc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)n1 ZINC001203169787 921229317 /nfs/dbraw/zinc/22/93/17/921229317.db2.gz CSZMKINQDADQGP-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC001088528959 907609747 /nfs/dbraw/zinc/60/97/47/907609747.db2.gz XCSRAFIFKSFGRJ-PWSUYJOCSA-N 1 2 292.770 1.831 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC001088528959 907609752 /nfs/dbraw/zinc/60/97/52/907609752.db2.gz XCSRAFIFKSFGRJ-PWSUYJOCSA-N 1 2 292.770 1.831 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccn(CC)n1 ZINC001482633606 908091720 /nfs/dbraw/zinc/09/17/20/908091720.db2.gz MEMNEZPQZUCVJS-UHFFFAOYSA-N 1 2 284.791 1.659 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccn(CC)n1 ZINC001482633606 908091730 /nfs/dbraw/zinc/09/17/30/908091730.db2.gz MEMNEZPQZUCVJS-UHFFFAOYSA-N 1 2 284.791 1.659 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)C1 ZINC001093500930 909918552 /nfs/dbraw/zinc/91/85/52/909918552.db2.gz CKSRMLZVNNRBPE-WFASDCNBSA-N 1 2 278.396 1.520 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC)s2)C1 ZINC001077325883 910270289 /nfs/dbraw/zinc/27/02/89/910270289.db2.gz PWCDCNVVLVGMHQ-CHWSQXEVSA-N 1 2 292.404 1.109 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC)s2)C1 ZINC001077325883 910270305 /nfs/dbraw/zinc/27/03/05/910270305.db2.gz PWCDCNVVLVGMHQ-CHWSQXEVSA-N 1 2 292.404 1.109 20 30 CDEDLO C[C@H](CC(=O)NCCNc1ccc(C#N)nc1)n1cc[nH+]c1 ZINC001094168001 910380306 /nfs/dbraw/zinc/38/03/06/910380306.db2.gz RVUXMNASQVZCMP-GFCCVEGCSA-N 1 2 298.350 1.329 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1cscn1 ZINC001409646008 910593246 /nfs/dbraw/zinc/59/32/46/910593246.db2.gz UOOAVKXLSAAAKE-SNVBAGLBSA-N 1 2 287.816 1.875 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1cscn1 ZINC001409646008 910593257 /nfs/dbraw/zinc/59/32/57/910593257.db2.gz UOOAVKXLSAAAKE-SNVBAGLBSA-N 1 2 287.816 1.875 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccoc2)[C@H](O)C1 ZINC001090068518 921597451 /nfs/dbraw/zinc/59/74/51/921597451.db2.gz LXTFFACCXJFGRY-VXGBXAGGSA-N 1 2 284.743 1.197 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccoc2)[C@H](O)C1 ZINC001090068518 921597463 /nfs/dbraw/zinc/59/74/63/921597463.db2.gz LXTFFACCXJFGRY-VXGBXAGGSA-N 1 2 284.743 1.197 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2c[nH]cn2)C1=O ZINC001273024147 921618067 /nfs/dbraw/zinc/61/80/67/921618067.db2.gz NGRRSOVXNQODSZ-AWEZNQCLSA-N 1 2 260.341 1.163 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2c[nH]cn2)C1=O ZINC001273024147 921618075 /nfs/dbraw/zinc/61/80/75/921618075.db2.gz NGRRSOVXNQODSZ-AWEZNQCLSA-N 1 2 260.341 1.163 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1n[nH]c2c1CCC2 ZINC001483360353 910976815 /nfs/dbraw/zinc/97/68/15/910976815.db2.gz KPGHKRJYXODHAL-JTQLQIEISA-N 1 2 296.802 1.701 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1n[nH]c2c1CCC2 ZINC001483360353 910976819 /nfs/dbraw/zinc/97/68/19/910976819.db2.gz KPGHKRJYXODHAL-JTQLQIEISA-N 1 2 296.802 1.701 20 30 CDEDLO N#CCC[N@H+](Cc1cccnc1)[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172008983 911091151 /nfs/dbraw/zinc/09/11/51/911091151.db2.gz VWCGESWAFZWELE-INIZCTEOSA-N 1 2 298.390 1.951 20 30 CDEDLO N#CCC[N@@H+](Cc1cccnc1)[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172008983 911091160 /nfs/dbraw/zinc/09/11/60/911091160.db2.gz VWCGESWAFZWELE-INIZCTEOSA-N 1 2 298.390 1.951 20 30 CDEDLO C=C[C@@H]1C[C@]1([NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1)C(=O)OCC ZINC001172166805 911415081 /nfs/dbraw/zinc/41/50/81/911415081.db2.gz UJCLHEMZUVZXBW-OQMKEHIESA-N 1 2 292.379 1.237 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+][C@H](C)CCOC(C)C ZINC001172435190 911634188 /nfs/dbraw/zinc/63/41/88/911634188.db2.gz YYKUWLWUBWTUFA-MNOVXSKESA-N 1 2 263.403 1.641 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C=C(C)C)[C@H](O)C1 ZINC001099656194 921683650 /nfs/dbraw/zinc/68/36/50/921683650.db2.gz AOXLKFNGQBEODQ-NWDGAFQWSA-N 1 2 272.776 1.257 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C=C(C)C)[C@H](O)C1 ZINC001099656194 921683655 /nfs/dbraw/zinc/68/36/55/921683655.db2.gz AOXLKFNGQBEODQ-NWDGAFQWSA-N 1 2 272.776 1.257 20 30 CDEDLO C=C[C@@H]1C[C@@]1([NH2+]C1CCN(C(=O)OC)CC1)C(=O)OCC ZINC001172733675 911871852 /nfs/dbraw/zinc/87/18/52/911871852.db2.gz ZGVAELRFHDRSIW-ABAIWWIYSA-N 1 2 296.367 1.315 20 30 CDEDLO CCN(C(=O)[C@@H](C#N)Cc1cccs1)C1C[NH+](C)C1 ZINC001177911504 915022007 /nfs/dbraw/zinc/02/20/07/915022007.db2.gz GIHTWOSWXZVPSG-LLVKDONJSA-N 1 2 277.393 1.593 20 30 CDEDLO Cn1c[nH+]c(CCNC(=O)C#Cc2ccc(F)cc2F)c1 ZINC001178573054 915527118 /nfs/dbraw/zinc/52/71/18/915527118.db2.gz HPCREYFIEOEPCQ-UHFFFAOYSA-N 1 2 289.285 1.409 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@H](C[NH+]1CCOCC1)C(C)(C)C ZINC001179902491 916085490 /nfs/dbraw/zinc/08/54/90/916085490.db2.gz MRIPPSDMWICNDB-VXGBXAGGSA-N 1 2 267.373 1.009 20 30 CDEDLO C=CCCC(=O)NCC[NH2+]Cc1nc([C@H](C)OCC)no1 ZINC001124645916 936328262 /nfs/dbraw/zinc/32/82/62/936328262.db2.gz BYDYKPXIKDTYNW-NSHDSACASA-N 1 2 296.371 1.339 20 30 CDEDLO C=CCSCC(=O)NCCSCc1[nH]c[nH+]c1C ZINC001180561107 916467549 /nfs/dbraw/zinc/46/75/49/916467549.db2.gz UFNBXNPIVVXEQX-UHFFFAOYSA-N 1 2 285.438 1.987 20 30 CDEDLO Cc1nc(N[C@@H](C)CNC(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001097766903 936377040 /nfs/dbraw/zinc/37/70/40/936377040.db2.gz ULHCPBHGCPQKTA-VIFPVBQESA-N 1 2 284.323 1.215 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@@]23CCOC3)c(C#N)c1 ZINC001137706648 936393561 /nfs/dbraw/zinc/39/35/61/936393561.db2.gz KZRLATBCQHKQTI-HNNXBMFYSA-N 1 2 258.321 1.932 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@@]23CCOC3)c(C#N)c1 ZINC001137706648 936393565 /nfs/dbraw/zinc/39/35/65/936393565.db2.gz KZRLATBCQHKQTI-HNNXBMFYSA-N 1 2 258.321 1.932 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc(CC)no2)C1 ZINC001181543447 917138830 /nfs/dbraw/zinc/13/88/30/917138830.db2.gz RTLPKHWVSIBVMR-VXGBXAGGSA-N 1 2 292.383 1.850 20 30 CDEDLO C=CCO[C@H](C)C(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001097920151 936425657 /nfs/dbraw/zinc/42/56/57/936425657.db2.gz SLLJHQUHRAVSKD-GHMZBOCLSA-N 1 2 278.356 1.293 20 30 CDEDLO CC[C@@H](CC#N)[NH2+][C@@H](CC(=O)OC)c1cccnc1 ZINC001255155842 936505819 /nfs/dbraw/zinc/50/58/19/936505819.db2.gz BJIPZIVCKVHESI-STQMWFEESA-N 1 2 261.325 1.968 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc2c(cccc2OC)[nH]1 ZINC000831540409 936516033 /nfs/dbraw/zinc/51/60/33/936516033.db2.gz BBJQXVXMQJWBDP-LBPRGKRZSA-N 1 2 298.346 1.608 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc2c(cccc2OC)[nH]1 ZINC000831540409 936516035 /nfs/dbraw/zinc/51/60/35/936516035.db2.gz BBJQXVXMQJWBDP-LBPRGKRZSA-N 1 2 298.346 1.608 20 30 CDEDLO CCN(C(=O)[C@@H](C#N)Cc1ccc(O)cc1)C1C[NH+](C)C1 ZINC001183611091 918545495 /nfs/dbraw/zinc/54/54/95/918545495.db2.gz YWKKWPJBYOSRKT-CYBMUJFWSA-N 1 2 287.363 1.237 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cccs2)C1 ZINC001107707206 918652376 /nfs/dbraw/zinc/65/23/76/918652376.db2.gz DKYBXSMDLDTICQ-AWEZNQCLSA-N 1 2 280.393 1.755 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cccs2)C1 ZINC001107707206 918652387 /nfs/dbraw/zinc/65/23/87/918652387.db2.gz DKYBXSMDLDTICQ-AWEZNQCLSA-N 1 2 280.393 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)OC)C2 ZINC001110340128 918695403 /nfs/dbraw/zinc/69/54/03/918695403.db2.gz CIPBCMNRRGWKEA-QCNOEVLYSA-N 1 2 272.776 1.495 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)OC)C2 ZINC001110340128 918695412 /nfs/dbraw/zinc/69/54/12/918695412.db2.gz CIPBCMNRRGWKEA-QCNOEVLYSA-N 1 2 272.776 1.495 20 30 CDEDLO C#CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183838677 918712434 /nfs/dbraw/zinc/71/24/34/918712434.db2.gz KNIXJWKKLZOUEN-MRXNPFEDSA-N 1 2 281.359 1.662 20 30 CDEDLO C#CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183838677 918712446 /nfs/dbraw/zinc/71/24/46/918712446.db2.gz KNIXJWKKLZOUEN-MRXNPFEDSA-N 1 2 281.359 1.662 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCOC(C)C)C1 ZINC001107757655 918742067 /nfs/dbraw/zinc/74/20/67/918742067.db2.gz RUUWVSYFLRRCDP-INIZCTEOSA-N 1 2 296.411 1.032 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CCOC(C)C)C1 ZINC001107757655 918742076 /nfs/dbraw/zinc/74/20/76/918742076.db2.gz RUUWVSYFLRRCDP-INIZCTEOSA-N 1 2 296.411 1.032 20 30 CDEDLO Cc1noc(NC(=O)CCc2ccc(N)[nH+]c2)c1C#N ZINC001183931587 918745604 /nfs/dbraw/zinc/74/56/04/918745604.db2.gz DAXDPCRDQUBUSE-UHFFFAOYSA-N 1 2 271.280 1.403 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)OCC)C1 ZINC001107786312 918779941 /nfs/dbraw/zinc/77/99/41/918779941.db2.gz VBFREPCCPJKNIR-UKRRQHHQSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)OCC)C1 ZINC001107786312 918779944 /nfs/dbraw/zinc/77/99/44/918779944.db2.gz VBFREPCCPJKNIR-UKRRQHHQSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC(F)(F)F)C1 ZINC001107788536 918784301 /nfs/dbraw/zinc/78/43/01/918784301.db2.gz CEYZGTDFCRYYPR-NSHDSACASA-N 1 2 280.290 1.332 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CC(F)(F)F)C1 ZINC001107788536 918784311 /nfs/dbraw/zinc/78/43/11/918784311.db2.gz CEYZGTDFCRYYPR-NSHDSACASA-N 1 2 280.290 1.332 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)CSC)C1 ZINC001107816821 918822643 /nfs/dbraw/zinc/82/26/43/918822643.db2.gz IJBCGKBYCCJISR-HIFRSBDPSA-N 1 2 298.452 1.216 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)CSC)C1 ZINC001107816821 918822654 /nfs/dbraw/zinc/82/26/54/918822654.db2.gz IJBCGKBYCCJISR-HIFRSBDPSA-N 1 2 298.452 1.216 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2csnc2C)C1 ZINC001107883439 918984263 /nfs/dbraw/zinc/98/42/63/918984263.db2.gz TVJJABFRBLCEET-AWEZNQCLSA-N 1 2 295.408 1.458 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2csnc2C)C1 ZINC001107883439 918984270 /nfs/dbraw/zinc/98/42/70/918984270.db2.gz TVJJABFRBLCEET-AWEZNQCLSA-N 1 2 295.408 1.458 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCOCC2CC2)C1 ZINC001107941730 919100583 /nfs/dbraw/zinc/10/05/83/919100583.db2.gz MAODPGYFAAIKHA-INIZCTEOSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCOCC2CC2)C1 ZINC001107941730 919100593 /nfs/dbraw/zinc/10/05/93/919100593.db2.gz MAODPGYFAAIKHA-INIZCTEOSA-N 1 2 296.411 1.196 20 30 CDEDLO C=C(C)COc1ccccc1C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC001138665226 936556707 /nfs/dbraw/zinc/55/67/07/936556707.db2.gz IYSXGJDFQRVZCC-OAHLLOKOSA-N 1 2 290.363 1.328 20 30 CDEDLO C=C(C)COc1ccccc1C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC001138665226 936556708 /nfs/dbraw/zinc/55/67/08/936556708.db2.gz IYSXGJDFQRVZCC-OAHLLOKOSA-N 1 2 290.363 1.328 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccoc1 ZINC001050819517 936565136 /nfs/dbraw/zinc/56/51/36/936565136.db2.gz BQNHHOCPYODUDM-CQSZACIVSA-N 1 2 278.352 1.676 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccoc1 ZINC001050819517 936565138 /nfs/dbraw/zinc/56/51/38/936565138.db2.gz BQNHHOCPYODUDM-CQSZACIVSA-N 1 2 278.352 1.676 20 30 CDEDLO CC(=O)/C=C(/C)NC(=O)[C@H](CO)[N@H+](C)Cc1ccccc1 ZINC001185235241 919519294 /nfs/dbraw/zinc/51/92/94/919519294.db2.gz KNMSBGVHRRBPKF-LMRWQKIVSA-N 1 2 290.363 1.088 20 30 CDEDLO CC(=O)/C=C(/C)NC(=O)[C@H](CO)[N@@H+](C)Cc1ccccc1 ZINC001185235241 919519304 /nfs/dbraw/zinc/51/93/04/919519304.db2.gz KNMSBGVHRRBPKF-LMRWQKIVSA-N 1 2 290.363 1.088 20 30 CDEDLO Cc1cc(C#N)c(F)cc1NC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186051743 919867781 /nfs/dbraw/zinc/86/77/81/919867781.db2.gz YWFKXOZBTNRDRF-LLVKDONJSA-N 1 2 277.299 1.011 20 30 CDEDLO Cc1cc(C#N)c(F)cc1NC(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186051743 919867797 /nfs/dbraw/zinc/86/77/97/919867797.db2.gz YWFKXOZBTNRDRF-LLVKDONJSA-N 1 2 277.299 1.011 20 30 CDEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ncc[nH]1 ZINC001272922062 920095216 /nfs/dbraw/zinc/09/52/16/920095216.db2.gz RZIMNNRTNDFLEJ-OAHLLOKOSA-N 1 2 274.368 1.553 20 30 CDEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ncc[nH]1 ZINC001272922062 920095228 /nfs/dbraw/zinc/09/52/28/920095228.db2.gz RZIMNNRTNDFLEJ-OAHLLOKOSA-N 1 2 274.368 1.553 20 30 CDEDLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139706494 936638290 /nfs/dbraw/zinc/63/82/90/936638290.db2.gz WHTGSFZJSYBZNV-NSHDSACASA-N 1 2 282.347 1.702 20 30 CDEDLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139706494 936638291 /nfs/dbraw/zinc/63/82/91/936638291.db2.gz WHTGSFZJSYBZNV-NSHDSACASA-N 1 2 282.347 1.702 20 30 CDEDLO C=CCn1cc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)cn1 ZINC001139768371 936644844 /nfs/dbraw/zinc/64/48/44/936644844.db2.gz OJDHXHDEKWZDOO-CYBMUJFWSA-N 1 2 275.377 1.843 20 30 CDEDLO C=CCn1cc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)cn1 ZINC001139768371 936644846 /nfs/dbraw/zinc/64/48/46/936644846.db2.gz OJDHXHDEKWZDOO-CYBMUJFWSA-N 1 2 275.377 1.843 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1nccnc1N ZINC001140015704 936669336 /nfs/dbraw/zinc/66/93/36/936669336.db2.gz KTJRERXTPPZOFT-UHFFFAOYSA-N 1 2 253.309 1.562 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1nccnc1N ZINC001140015704 936669337 /nfs/dbraw/zinc/66/93/37/936669337.db2.gz KTJRERXTPPZOFT-UHFFFAOYSA-N 1 2 253.309 1.562 20 30 CDEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)CSC)c2C1 ZINC001128182877 921107116 /nfs/dbraw/zinc/10/71/16/921107116.db2.gz JUFZAHKLGMJSFT-UHFFFAOYSA-N 1 2 294.424 1.254 20 30 CDEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)CSC)c2C1 ZINC001128182877 921107123 /nfs/dbraw/zinc/10/71/23/921107123.db2.gz JUFZAHKLGMJSFT-UHFFFAOYSA-N 1 2 294.424 1.254 20 30 CDEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccco3)CC2)cn1 ZINC001140543936 936722721 /nfs/dbraw/zinc/72/27/21/936722721.db2.gz VUJNLVLMECBCMP-UHFFFAOYSA-N 1 2 282.347 1.864 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3cncnc3)CC2)cn1 ZINC001140545932 936723559 /nfs/dbraw/zinc/72/35/59/936723559.db2.gz QFRYRQVEFKQTDW-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO C=CCC1(S(=O)(=O)NCCCn2cc[nH+]c2)CC1 ZINC001190766191 922180532 /nfs/dbraw/zinc/18/05/32/922180532.db2.gz HAIIBGJOPLWIMU-UHFFFAOYSA-N 1 2 269.370 1.301 20 30 CDEDLO C=CCC1(S(=O)(=O)N(CC)CCn2cc[nH+]c2)CC1 ZINC001190798352 922211664 /nfs/dbraw/zinc/21/16/64/922211664.db2.gz POYONIXGJAIWRV-UHFFFAOYSA-N 1 2 283.397 1.644 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2CCC2)[C@@H](O)C1 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XNQXBRYNJQFACL-GFCCVEGCSA-N 1 2 291.351 1.243 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2cnccc2o1 ZINC001085700753 926297668 /nfs/dbraw/zinc/29/76/68/926297668.db2.gz XCQIWVXFKUHWBP-AWEZNQCLSA-N 1 2 297.358 1.997 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2cnccc2o1 ZINC001085700753 926297673 /nfs/dbraw/zinc/29/76/73/926297673.db2.gz XCQIWVXFKUHWBP-AWEZNQCLSA-N 1 2 297.358 1.997 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nncc2ccccc21 ZINC001085716564 926320131 /nfs/dbraw/zinc/32/01/31/926320131.db2.gz ORFHZXZZLPCWMF-CQSZACIVSA-N 1 2 294.358 1.409 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nncc2ccccc21 ZINC001085716564 926320138 /nfs/dbraw/zinc/32/01/38/926320138.db2.gz ORFHZXZZLPCWMF-CQSZACIVSA-N 1 2 294.358 1.409 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2c1O[C@@H](C)C2 ZINC001085730487 926329776 /nfs/dbraw/zinc/32/97/76/926329776.db2.gz ZMMZYXBHYVFXOO-DZGCQCFKSA-N 1 2 298.386 1.790 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2c1O[C@@H](C)C2 ZINC001085730487 926329785 /nfs/dbraw/zinc/32/97/85/926329785.db2.gz ZMMZYXBHYVFXOO-DZGCQCFKSA-N 1 2 298.386 1.790 20 30 CDEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1CCCSC ZINC001201680411 926368356 /nfs/dbraw/zinc/36/83/56/926368356.db2.gz WKLUJOPIZAOBKI-ZDUSSCGKSA-N 1 2 296.440 1.670 20 30 CDEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1CCCSC ZINC001201680411 926368360 /nfs/dbraw/zinc/36/83/60/926368360.db2.gz WKLUJOPIZAOBKI-ZDUSSCGKSA-N 1 2 296.440 1.670 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cocc1C ZINC001085766272 926370550 /nfs/dbraw/zinc/37/05/50/926370550.db2.gz FMZNWHMXPFRRKD-CYBMUJFWSA-N 1 2 260.337 1.758 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cocc1C ZINC001085766272 926370557 /nfs/dbraw/zinc/37/05/57/926370557.db2.gz FMZNWHMXPFRRKD-CYBMUJFWSA-N 1 2 260.337 1.758 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)c2ccco2)C1 ZINC001108209110 926396753 /nfs/dbraw/zinc/39/67/53/926396753.db2.gz IXSBMMGGPIHMOM-CZUORRHYSA-N 1 2 292.379 1.776 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)c2ccco2)C1 ZINC001108209110 926396756 /nfs/dbraw/zinc/39/67/56/926396756.db2.gz IXSBMMGGPIHMOM-CZUORRHYSA-N 1 2 292.379 1.776 20 30 CDEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001110582874 926563553 /nfs/dbraw/zinc/56/35/53/926563553.db2.gz XGFVSBNTWJNJQI-ZNSHCXBVSA-N 1 2 292.276 1.632 20 30 CDEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001110582874 926563565 /nfs/dbraw/zinc/56/35/65/926563565.db2.gz XGFVSBNTWJNJQI-ZNSHCXBVSA-N 1 2 292.276 1.632 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ncccc1OCC ZINC001086004656 926590313 /nfs/dbraw/zinc/59/03/13/926590313.db2.gz LPMTVRYZYNTUBG-ZDUSSCGKSA-N 1 2 287.363 1.260 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncccc1OCC ZINC001086004656 926590320 /nfs/dbraw/zinc/59/03/20/926590320.db2.gz LPMTVRYZYNTUBG-ZDUSSCGKSA-N 1 2 287.363 1.260 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)NC[C@H]3C[C@@H](NCC#N)C3)ccn12 ZINC001086086640 926686259 /nfs/dbraw/zinc/68/62/59/926686259.db2.gz ZSPNZSOAQYNBPF-XBXGTLAGSA-N 1 2 297.362 1.264 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(C)on1 ZINC001439301710 927275907 /nfs/dbraw/zinc/27/59/07/927275907.db2.gz IKZVUWYKJUDKAH-SECBINFHSA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(C)on1 ZINC001439301710 927275917 /nfs/dbraw/zinc/27/59/17/927275917.db2.gz IKZVUWYKJUDKAH-SECBINFHSA-N 1 2 271.748 1.786 20 30 CDEDLO COC(=O)NC1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000852771217 927867199 /nfs/dbraw/zinc/86/71/99/927867199.db2.gz LJTJSOVQYYDQON-LLVKDONJSA-N 1 2 264.329 1.250 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1ccc2cc(Cl)cnc2n1 ZINC001156320328 928042034 /nfs/dbraw/zinc/04/20/34/928042034.db2.gz XPQKAZDHYQMKEF-NSHDSACASA-N 1 2 273.727 1.585 20 30 CDEDLO COc1c(C)c[nH+]c(CNC(=O)NC[C@@H](C)C#N)c1C ZINC000781933205 937233408 /nfs/dbraw/zinc/23/34/08/937233408.db2.gz LOEMFNIELJHVQM-VIFPVBQESA-N 1 2 276.340 1.666 20 30 CDEDLO C#CCC1(C(=O)N[C@@H](C)CNc2cc[nH+]c(C)n2)CCC1 ZINC001108556797 928435080 /nfs/dbraw/zinc/43/50/80/928435080.db2.gz XRUOBJREMVUAFA-LBPRGKRZSA-N 1 2 286.379 1.895 20 30 CDEDLO Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C)C#N)C3)ncn1 ZINC001109088966 928790732 /nfs/dbraw/zinc/79/07/32/928790732.db2.gz VVGRRDXVCBFOLB-RABLLNBGSA-N 1 2 299.378 1.166 20 30 CDEDLO Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C)C#N)C3)ncn1 ZINC001109088966 928790734 /nfs/dbraw/zinc/79/07/34/928790734.db2.gz VVGRRDXVCBFOLB-RABLLNBGSA-N 1 2 299.378 1.166 20 30 CDEDLO CC(C)C#CC(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001112834519 929468372 /nfs/dbraw/zinc/46/83/72/929468372.db2.gz RSXDPAWQQXIZEY-UHFFFAOYSA-N 1 2 278.396 1.217 20 30 CDEDLO CC[N@H+](Cc1coc(C)n1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152413149 937360333 /nfs/dbraw/zinc/36/03/33/937360333.db2.gz JIJLUQCJEXTLBP-WDEREUQCSA-N 1 2 278.356 1.469 20 30 CDEDLO CC[N@@H+](Cc1coc(C)n1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152413149 937360335 /nfs/dbraw/zinc/36/03/35/937360335.db2.gz JIJLUQCJEXTLBP-WDEREUQCSA-N 1 2 278.356 1.469 20 30 CDEDLO Cc1nc(N2CCC(CNC(=O)[C@H](C)C#N)CC2)cc[nH+]1 ZINC001095344998 930933362 /nfs/dbraw/zinc/93/33/62/930933362.db2.gz XTWJAUCGXLGEAX-LLVKDONJSA-N 1 2 287.367 1.277 20 30 CDEDLO C=C[C@@H](COC)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001116645033 937463279 /nfs/dbraw/zinc/46/32/79/937463279.db2.gz ZATQHWVCEFGLBZ-NEPJUHHUSA-N 1 2 278.356 1.500 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCSC(F)(F)F)nn1 ZINC000887462864 931095791 /nfs/dbraw/zinc/09/57/91/931095791.db2.gz FMWBAWMNKCNNPC-UHFFFAOYSA-N 1 2 278.303 1.644 20 30 CDEDLO CC[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](CCC#N)CC2 ZINC001274030444 931129298 /nfs/dbraw/zinc/12/92/98/931129298.db2.gz MZOBOCKQNGIVIS-CHWSQXEVSA-N 1 2 263.385 1.917 20 30 CDEDLO CCCCNC(=O)[C@@H]1CC12CC[NH+](CCC#N)CC2 ZINC001274031661 931131355 /nfs/dbraw/zinc/13/13/55/931131355.db2.gz WZNDSALANAKOKW-ZDUSSCGKSA-N 1 2 263.385 1.918 20 30 CDEDLO CC[N@H+](CCC(N)=O)Cc1c(Cl)cccc1C#N ZINC001143726061 931529543 /nfs/dbraw/zinc/52/95/43/931529543.db2.gz DHVFHSUOTHOVFF-UHFFFAOYSA-N 1 2 265.744 1.909 20 30 CDEDLO CC[N@@H+](CCC(N)=O)Cc1c(Cl)cccc1C#N ZINC001143726061 931529545 /nfs/dbraw/zinc/52/95/45/931529545.db2.gz DHVFHSUOTHOVFF-UHFFFAOYSA-N 1 2 265.744 1.909 20 30 CDEDLO Cc1[nH+]c[nH]c1CSCCNC(=O)CCS ZINC001143986144 931607976 /nfs/dbraw/zinc/60/79/76/931607976.db2.gz UHYQPBDWHZTPOO-UHFFFAOYSA-N 1 2 259.400 1.387 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)nc1 ZINC001144163362 931678276 /nfs/dbraw/zinc/67/82/76/931678276.db2.gz DEQNUDMNFLPHPD-AWEZNQCLSA-N 1 2 272.308 1.028 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)nc1 ZINC001144163362 931678280 /nfs/dbraw/zinc/67/82/80/931678280.db2.gz DEQNUDMNFLPHPD-AWEZNQCLSA-N 1 2 272.308 1.028 20 30 CDEDLO CN1CCO[C@]2(CCC[N@H+](Cc3cccc(C#N)n3)C2)C1 ZINC001275605157 931904293 /nfs/dbraw/zinc/90/42/93/931904293.db2.gz FANBRFMMQYJSQB-MRXNPFEDSA-N 1 2 286.379 1.250 20 30 CDEDLO CN1CCO[C@]2(CCC[N@@H+](Cc3cccc(C#N)n3)C2)C1 ZINC001275605157 931904296 /nfs/dbraw/zinc/90/42/96/931904296.db2.gz FANBRFMMQYJSQB-MRXNPFEDSA-N 1 2 286.379 1.250 20 30 CDEDLO C=C[C@@H]1C[C@@]1(NC(=O)c1cccc2[nH+]ccn21)C(=O)OCC ZINC001154525676 937553839 /nfs/dbraw/zinc/55/38/39/937553839.db2.gz RYCRIGARSABBPQ-BZNIZROVSA-N 1 2 299.330 1.572 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](O)c2cccc(Cl)c2)CC1 ZINC001144822084 932038634 /nfs/dbraw/zinc/03/86/34/932038634.db2.gz BXLQZGHNHAUGRN-CQSZACIVSA-N 1 2 294.782 1.704 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1cn(C)nn1 ZINC001154605707 937565411 /nfs/dbraw/zinc/56/54/11/937565411.db2.gz OHKRNNYMZSHBQM-GFCCVEGCSA-N 1 2 293.415 1.354 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cn(C)nn1 ZINC001154605707 937565414 /nfs/dbraw/zinc/56/54/14/937565414.db2.gz OHKRNNYMZSHBQM-GFCCVEGCSA-N 1 2 293.415 1.354 20 30 CDEDLO C=CCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nonc1C)C2 ZINC001147158780 932430538 /nfs/dbraw/zinc/43/05/38/932430538.db2.gz HCQLOCXXVXENLB-UHFFFAOYSA-N 1 2 290.367 1.379 20 30 CDEDLO C=CCCC(=O)N1CC2(C1)CC[N@H+](Cc1nonc1C)C2 ZINC001147158780 932430543 /nfs/dbraw/zinc/43/05/43/932430543.db2.gz HCQLOCXXVXENLB-UHFFFAOYSA-N 1 2 290.367 1.379 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNc2ncc3c(c2C#N)CCCC3)C1 ZINC001155201672 937648640 /nfs/dbraw/zinc/64/86/40/937648640.db2.gz LUMFQXCGWOVUDV-CYBMUJFWSA-N 1 2 286.379 1.575 20 30 CDEDLO C[N@H+]1CCO[C@H](CNc2ncc3c(c2C#N)CCCC3)C1 ZINC001155201672 937648642 /nfs/dbraw/zinc/64/86/42/937648642.db2.gz LUMFQXCGWOVUDV-CYBMUJFWSA-N 1 2 286.379 1.575 20 30 CDEDLO N#CC[C@@H](O)C[N@@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000930753145 933443311 /nfs/dbraw/zinc/44/33/11/933443311.db2.gz DBZSXGXORMRZJF-KGLIPLIRSA-N 1 2 279.384 1.032 20 30 CDEDLO N#CC[C@@H](O)C[N@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000930753145 933443316 /nfs/dbraw/zinc/44/33/16/933443316.db2.gz DBZSXGXORMRZJF-KGLIPLIRSA-N 1 2 279.384 1.032 20 30 CDEDLO C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)Nc1ccc(C#N)cn1 ZINC001119979481 937770289 /nfs/dbraw/zinc/77/02/89/937770289.db2.gz PGEHLJZDGIHTOJ-NSHDSACASA-N 1 2 298.350 1.178 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3=O)cc1 ZINC001138561095 934549205 /nfs/dbraw/zinc/54/92/05/934549205.db2.gz ZPMCNRSRGAGZHK-GASCZTMLSA-N 1 2 285.343 1.346 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)C3=O)cc1 ZINC001138561095 934549211 /nfs/dbraw/zinc/54/92/11/934549211.db2.gz ZPMCNRSRGAGZHK-GASCZTMLSA-N 1 2 285.343 1.346 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001114722890 934940096 /nfs/dbraw/zinc/94/00/96/934940096.db2.gz PMKFHDGBOCQOSD-RZFFKMDDSA-N 1 2 289.379 1.823 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001114722890 934940099 /nfs/dbraw/zinc/94/00/99/934940099.db2.gz PMKFHDGBOCQOSD-RZFFKMDDSA-N 1 2 289.379 1.823 20 30 CDEDLO C=CCC(C)(C)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000796461671 935277579 /nfs/dbraw/zinc/27/75/79/935277579.db2.gz MQBQNYOIBAIFQG-BETUJISGSA-N 1 2 267.369 1.995 20 30 CDEDLO C=CCC(C)(C)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000796461671 935277584 /nfs/dbraw/zinc/27/75/84/935277584.db2.gz MQBQNYOIBAIFQG-BETUJISGSA-N 1 2 267.369 1.995 20 30 CDEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)c2cnc(COC)s2)C1 ZINC001009746167 935432105 /nfs/dbraw/zinc/43/21/05/935432105.db2.gz UKPFRPMSVYHBOG-LLVKDONJSA-N 1 2 295.408 1.670 20 30 CDEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc(COC)s2)C1 ZINC001009746167 935432109 /nfs/dbraw/zinc/43/21/09/935432109.db2.gz UKPFRPMSVYHBOG-LLVKDONJSA-N 1 2 295.408 1.670 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncc2ccccn21 ZINC001017732807 935647519 /nfs/dbraw/zinc/64/75/19/935647519.db2.gz CSOLAFRNTJEGJL-GASCZTMLSA-N 1 2 294.358 1.256 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncc2ccccn21 ZINC001017732807 935647520 /nfs/dbraw/zinc/64/75/20/935647520.db2.gz CSOLAFRNTJEGJL-GASCZTMLSA-N 1 2 294.358 1.256 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC001038292209 935740029 /nfs/dbraw/zinc/74/00/29/935740029.db2.gz HLBSEWPASXSIAF-CQSZACIVSA-N 1 2 257.337 1.136 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC001038292209 935740031 /nfs/dbraw/zinc/74/00/31/935740031.db2.gz HLBSEWPASXSIAF-CQSZACIVSA-N 1 2 257.337 1.136 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn2cc(C)nc2c1 ZINC001038708211 935753341 /nfs/dbraw/zinc/75/33/41/935753341.db2.gz NJJPPKOMCJFTLM-OAHLLOKOSA-N 1 2 296.374 1.470 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn2cc(C)nc2c1 ZINC001038708211 935753342 /nfs/dbraw/zinc/75/33/42/935753342.db2.gz NJJPPKOMCJFTLM-OAHLLOKOSA-N 1 2 296.374 1.470 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2[nH]c(C)nc21 ZINC001038889559 935761067 /nfs/dbraw/zinc/76/10/67/935761067.db2.gz CIAULTJMHPAQKF-GFCCVEGCSA-N 1 2 282.347 1.309 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2[nH]c(C)nc21 ZINC001038889559 935761070 /nfs/dbraw/zinc/76/10/70/935761070.db2.gz CIAULTJMHPAQKF-GFCCVEGCSA-N 1 2 282.347 1.309 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046251788 935937415 /nfs/dbraw/zinc/93/74/15/935937415.db2.gz UDGUENVAQIYCOA-CQSZACIVSA-N 1 2 292.770 1.833 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046251788 935937411 /nfs/dbraw/zinc/93/74/11/935937411.db2.gz UDGUENVAQIYCOA-CQSZACIVSA-N 1 2 292.770 1.833 20 30 CDEDLO C=C(CC)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC001123715127 936205992 /nfs/dbraw/zinc/20/59/92/936205992.db2.gz HIZWOIKXBCILPL-ZDUSSCGKSA-N 1 2 252.358 1.276 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCOC1)C2 ZINC001096900501 936234984 /nfs/dbraw/zinc/23/49/84/936234984.db2.gz ALSCGHSMNWLCPA-DGAVXFQQSA-N 1 2 298.814 1.887 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCOC1)C2 ZINC001096900501 936234988 /nfs/dbraw/zinc/23/49/88/936234988.db2.gz ALSCGHSMNWLCPA-DGAVXFQQSA-N 1 2 298.814 1.887 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1nc(Cl)ccc1F ZINC001156319744 938351475 /nfs/dbraw/zinc/35/14/75/938351475.db2.gz CZQHACPXXRLBBJ-ZETCQYMHSA-N 1 2 290.676 1.721 20 30 CDEDLO Cc1c(Cl)nc(C(C)C)nc1N1CC[NH2+]C[C@@H]1C#N ZINC001156332712 938352990 /nfs/dbraw/zinc/35/29/90/938352990.db2.gz MXEIXPBUHSBUMZ-JTQLQIEISA-N 1 2 279.775 1.864 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1nccc(F)c1C#N ZINC001157462212 938496558 /nfs/dbraw/zinc/49/65/58/938496558.db2.gz DPKBBDKESUPLAA-UHFFFAOYSA-N 1 2 259.288 1.815 20 30 CDEDLO N#Cc1nc(Cl)cnc1NCC1([NH+]2CCCC2)COC1 ZINC001157650298 938527182 /nfs/dbraw/zinc/52/71/82/938527182.db2.gz OJEMNFUGZCWBDB-UHFFFAOYSA-N 1 2 293.758 1.278 20 30 CDEDLO C[N@@H+]1CCOC[C@H]1CNc1ncnc2ccc(C#N)cc21 ZINC001158701011 938651608 /nfs/dbraw/zinc/65/16/08/938651608.db2.gz IGGVRBYRCGIXMJ-GFCCVEGCSA-N 1 2 283.335 1.244 20 30 CDEDLO C[N@H+]1CCOC[C@H]1CNc1ncnc2ccc(C#N)cc21 ZINC001158701011 938651609 /nfs/dbraw/zinc/65/16/09/938651609.db2.gz IGGVRBYRCGIXMJ-GFCCVEGCSA-N 1 2 283.335 1.244 20 30 CDEDLO SCCCNc1cc(N2CCSCC2)nc[nH+]1 ZINC001159871571 938758117 /nfs/dbraw/zinc/75/81/17/938758117.db2.gz KMCSTJZPKXNPPB-UHFFFAOYSA-N 1 2 270.427 1.762 20 30 CDEDLO SCCCNc1cc(N2CCSCC2)[nH+]cn1 ZINC001159871571 938758118 /nfs/dbraw/zinc/75/81/18/938758118.db2.gz KMCSTJZPKXNPPB-UHFFFAOYSA-N 1 2 270.427 1.762 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cncn2C)C1 ZINC001204389386 938798643 /nfs/dbraw/zinc/79/86/43/938798643.db2.gz URICQVSYWUIAEN-LBPRGKRZSA-N 1 2 278.356 1.297 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cncn2C)C1 ZINC001204389386 938798644 /nfs/dbraw/zinc/79/86/44/938798644.db2.gz URICQVSYWUIAEN-LBPRGKRZSA-N 1 2 278.356 1.297 20 30 CDEDLO N#CC1(Nc2cc(-n3cc[nH+]c3)ccn2)CCOCC1 ZINC001161478753 938905806 /nfs/dbraw/zinc/90/58/06/938905806.db2.gz BOSGCCQMFABRDN-UHFFFAOYSA-N 1 2 269.308 1.752 20 30 CDEDLO CCOC(=O)[C@H]([NH3+])CNc1nc(C(C)C)ccc1C#N ZINC001161944988 938946178 /nfs/dbraw/zinc/94/61/78/938946178.db2.gz BKKDBZRUUGXWCC-LLVKDONJSA-N 1 2 276.340 1.379 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNc2cc(CC#N)ccc2[N+](=O)[O-])C1 ZINC001162689485 939120007 /nfs/dbraw/zinc/12/00/07/939120007.db2.gz HEBRMTGCEXQPLM-LBPRGKRZSA-N 1 2 290.323 1.403 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNc2cc(CC#N)ccc2[N+](=O)[O-])C1 ZINC001162689485 939120008 /nfs/dbraw/zinc/12/00/08/939120008.db2.gz HEBRMTGCEXQPLM-LBPRGKRZSA-N 1 2 290.323 1.403 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1ccc(C#N)cn1 ZINC001162848898 939152054 /nfs/dbraw/zinc/15/20/54/939152054.db2.gz HWCMABNNYXXXOO-JTQLQIEISA-N 1 2 262.313 1.034 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1cc(Cl)cc(C#N)n1 ZINC001162848760 939152618 /nfs/dbraw/zinc/15/26/18/939152618.db2.gz DGMUJGMUZITAJB-JTQLQIEISA-N 1 2 296.758 1.688 20 30 CDEDLO N#Cc1c(Cl)ccnc1N1CC[NH2+]CC(F)(F)C1 ZINC001164493002 939478866 /nfs/dbraw/zinc/47/88/66/939478866.db2.gz KBKTXBIMWABMRQ-UHFFFAOYSA-N 1 2 272.686 1.652 20 30 CDEDLO CN(C)c1cc(Cn2ccc(C#N)cc2=O)cc[nH+]1 ZINC001166529614 939610904 /nfs/dbraw/zinc/61/09/04/939610904.db2.gz ATCXIVQFMGERTF-UHFFFAOYSA-N 1 2 254.293 1.229 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(OC)c(OCC)c2)CC1 ZINC001204190228 939741712 /nfs/dbraw/zinc/74/17/12/939741712.db2.gz PVDYOWWODPXTSK-UHFFFAOYSA-N 1 2 288.391 1.845 20 30 CDEDLO C#CCN1CC[NH+](Cc2ccc(OC)c(OCC)c2)CC1 ZINC001204190228 939741714 /nfs/dbraw/zinc/74/17/14/939741714.db2.gz PVDYOWWODPXTSK-UHFFFAOYSA-N 1 2 288.391 1.845 20 30 CDEDLO CC#CC[NH2+][C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001208084477 940287393 /nfs/dbraw/zinc/28/73/93/940287393.db2.gz PEZNBNMSAAXANT-NXEZZACHSA-N 1 2 280.265 1.491 20 30 CDEDLO CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001208084477 940287395 /nfs/dbraw/zinc/28/73/95/940287395.db2.gz PEZNBNMSAAXANT-NXEZZACHSA-N 1 2 280.265 1.491 20 30 CDEDLO C#CCCC[N@H+]1CCN(c2ccc(F)cc2)C(=O)C1 ZINC001209268893 940455673 /nfs/dbraw/zinc/45/56/73/940455673.db2.gz AAKXRCXIEKVAFO-UHFFFAOYSA-N 1 2 260.312 1.888 20 30 CDEDLO C#CCCC[N@@H+]1CCN(c2ccc(F)cc2)C(=O)C1 ZINC001209268893 940455674 /nfs/dbraw/zinc/45/56/74/940455674.db2.gz AAKXRCXIEKVAFO-UHFFFAOYSA-N 1 2 260.312 1.888 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(C)[nH]2)CC1 ZINC001209577321 940610984 /nfs/dbraw/zinc/61/09/84/940610984.db2.gz ORXMNDNHBYGIPK-UHFFFAOYSA-N 1 2 261.325 1.602 20 30 CDEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1OC ZINC001213310197 940768856 /nfs/dbraw/zinc/76/88/56/940768856.db2.gz HBJQKSMHEWMSMG-TXKQXAOOSA-N 1 2 298.814 1.748 20 30 CDEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1OC ZINC001213310197 940768858 /nfs/dbraw/zinc/76/88/58/940768858.db2.gz HBJQKSMHEWMSMG-TXKQXAOOSA-N 1 2 298.814 1.748 20 30 CDEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001213322637 940769455 /nfs/dbraw/zinc/76/94/55/940769455.db2.gz MKCQDGVSTYIETD-JHJVBQTASA-N 1 2 272.364 1.374 20 30 CDEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001213322637 940769458 /nfs/dbraw/zinc/76/94/58/940769458.db2.gz MKCQDGVSTYIETD-JHJVBQTASA-N 1 2 272.364 1.374 20 30 CDEDLO C=CCOc1ccccc1[C@H](C)NC(=O)C1(F)C[NH2+]C1 ZINC001220663597 941462472 /nfs/dbraw/zinc/46/24/72/941462472.db2.gz IWVONFLRODRZGS-NSHDSACASA-N 1 2 278.327 1.740 20 30 CDEDLO CCOC(=O)[C@@H](C#C[Si](C)(C)C)OCc1c[nH+]cn1C ZINC001222599855 941618958 /nfs/dbraw/zinc/61/89/58/941618958.db2.gz GYRNAXKPDRFPEY-CYBMUJFWSA-N 1 2 294.427 1.749 20 30 CDEDLO Cc1c(Cl)ncnc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001226078201 941949251 /nfs/dbraw/zinc/94/92/51/941949251.db2.gz GGFOZFCLDAYPOT-HBKXCPMBSA-N 1 2 281.743 1.430 20 30 CDEDLO Cc1c(Cl)ncnc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001226078201 941949253 /nfs/dbraw/zinc/94/92/53/941949253.db2.gz GGFOZFCLDAYPOT-HBKXCPMBSA-N 1 2 281.743 1.430 20 30 CDEDLO Cc1ccnc(C)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001227263686 942160841 /nfs/dbraw/zinc/16/08/41/942160841.db2.gz GUVYZMXTNAMTHQ-KYFMZXIUSA-N 1 2 260.337 1.690 20 30 CDEDLO Cc1ccnc(C)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001227263686 942160843 /nfs/dbraw/zinc/16/08/43/942160843.db2.gz GUVYZMXTNAMTHQ-KYFMZXIUSA-N 1 2 260.337 1.690 20 30 CDEDLO COc1ccc(F)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1F ZINC001227851567 942238086 /nfs/dbraw/zinc/23/80/86/942238086.db2.gz XOTAHPFLESKSRM-QWQQTTKASA-N 1 2 297.301 1.965 20 30 CDEDLO COc1ccc(F)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1F ZINC001227851567 942238089 /nfs/dbraw/zinc/23/80/89/942238089.db2.gz XOTAHPFLESKSRM-QWQQTTKASA-N 1 2 297.301 1.965 20 30 CDEDLO Cc1cc(C[NH+]2CC3(C[C@@H]3C(=O)NC3(C#N)CCC3)C2)[nH]n1 ZINC001277350921 942410374 /nfs/dbraw/zinc/41/03/74/942410374.db2.gz QXAXODPCOWADQY-CYBMUJFWSA-N 1 2 299.378 1.103 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCC1 ZINC001230571934 942647133 /nfs/dbraw/zinc/64/71/33/942647133.db2.gz GSZJFPOWAYNUPV-JSGCOSHPSA-N 1 2 293.411 1.010 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1CCC1 ZINC001230571934 942647136 /nfs/dbraw/zinc/64/71/36/942647136.db2.gz GSZJFPOWAYNUPV-JSGCOSHPSA-N 1 2 293.411 1.010 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc3ncccc3[nH]2)CC1 ZINC001232066816 943122782 /nfs/dbraw/zinc/12/27/82/943122782.db2.gz KBTJRGXMUBAZHK-UHFFFAOYSA-N 1 2 298.346 1.842 20 30 CDEDLO N#Cc1cc[nH]c1C[NH+]1CCC(n2cccn2)CC1 ZINC001233047913 943475036 /nfs/dbraw/zinc/47/50/36/943475036.db2.gz QDHPZQHMFWFNLD-UHFFFAOYSA-N 1 2 255.325 1.920 20 30 CDEDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3[nH]ccc3C#N)C2)o1 ZINC001233049039 943476518 /nfs/dbraw/zinc/47/65/18/943476518.db2.gz VPYIONDDORXONV-GFCCVEGCSA-N 1 2 271.324 1.957 20 30 CDEDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3[nH]ccc3C#N)C2)o1 ZINC001233049039 943476522 /nfs/dbraw/zinc/47/65/22/943476522.db2.gz VPYIONDDORXONV-GFCCVEGCSA-N 1 2 271.324 1.957 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c(O)c1 ZINC001233387080 943572815 /nfs/dbraw/zinc/57/28/15/943572815.db2.gz UBZMKDAXXXUFCH-CYBMUJFWSA-N 1 2 271.320 1.070 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)c(O)c1 ZINC001233387080 943572818 /nfs/dbraw/zinc/57/28/18/943572818.db2.gz UBZMKDAXXXUFCH-CYBMUJFWSA-N 1 2 271.320 1.070 20 30 CDEDLO CN1CCC[C@H]2C[N@H+](Cc3ccc(C#N)cc3O)C[C@@H]21 ZINC001233387521 943573985 /nfs/dbraw/zinc/57/39/85/943573985.db2.gz MKDCIDXKUZNVOY-ZFWWWQNUSA-N 1 2 271.364 1.790 20 30 CDEDLO CN1CCC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3O)C[C@@H]21 ZINC001233387521 943573987 /nfs/dbraw/zinc/57/39/87/943573987.db2.gz MKDCIDXKUZNVOY-ZFWWWQNUSA-N 1 2 271.364 1.790 20 30 CDEDLO C=CCCCC[N@H+]1Cc2ccnn2CC[C@H]1C(N)=O ZINC001277788927 943611001 /nfs/dbraw/zinc/61/10/01/943611001.db2.gz IBNGYPAZAATKBM-ZDUSSCGKSA-N 1 2 262.357 1.299 20 30 CDEDLO C=CCCCC[N@@H+]1Cc2ccnn2CC[C@H]1C(N)=O ZINC001277788927 943611004 /nfs/dbraw/zinc/61/10/04/943611004.db2.gz IBNGYPAZAATKBM-ZDUSSCGKSA-N 1 2 262.357 1.299 20 30 CDEDLO COc1cc(/C=N/O)ccc1O[C@H](C)C[NH+]1CCOCC1 ZINC001233801131 943662588 /nfs/dbraw/zinc/66/25/88/943662588.db2.gz WHWCSNNTQIVXBL-HMHNVIDESA-N 1 2 294.351 1.603 20 30 CDEDLO Cc1oncc1C[N@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234179073 943767476 /nfs/dbraw/zinc/76/74/76/943767476.db2.gz RYVGGLNKRCIGHT-HNNXBMFYSA-N 1 2 287.363 1.429 20 30 CDEDLO Cc1oncc1C[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234179073 943767483 /nfs/dbraw/zinc/76/74/83/943767483.db2.gz RYVGGLNKRCIGHT-HNNXBMFYSA-N 1 2 287.363 1.429 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC(C)C ZINC001234604406 943911099 /nfs/dbraw/zinc/91/10/99/943911099.db2.gz PMLDRAAYJWNRGB-CQSZACIVSA-N 1 2 295.427 1.400 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC(C)C ZINC001234604406 943911103 /nfs/dbraw/zinc/91/11/03/943911103.db2.gz PMLDRAAYJWNRGB-CQSZACIVSA-N 1 2 295.427 1.400 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC1CC1 ZINC001234604301 943911658 /nfs/dbraw/zinc/91/16/58/943911658.db2.gz NQLSYUBCIPTULX-CQSZACIVSA-N 1 2 293.411 1.154 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC1CC1 ZINC001234604301 943911661 /nfs/dbraw/zinc/91/16/61/943911661.db2.gz NQLSYUBCIPTULX-CQSZACIVSA-N 1 2 293.411 1.154 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001234614513 943916876 /nfs/dbraw/zinc/91/68/76/943916876.db2.gz SXMYHILQNYRCSQ-CHWSQXEVSA-N 1 2 281.400 1.010 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001234614513 943916879 /nfs/dbraw/zinc/91/68/79/943916879.db2.gz SXMYHILQNYRCSQ-CHWSQXEVSA-N 1 2 281.400 1.010 20 30 CDEDLO CCc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)no1 ZINC001234653975 943928635 /nfs/dbraw/zinc/92/86/35/943928635.db2.gz FAZNIDCAKWIGKQ-NJFCNUMCSA-N 1 2 250.298 1.228 20 30 CDEDLO CCc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)no1 ZINC001234653975 943928638 /nfs/dbraw/zinc/92/86/38/943928638.db2.gz FAZNIDCAKWIGKQ-NJFCNUMCSA-N 1 2 250.298 1.228 20 30 CDEDLO C[C@H]1CCN(C(=O)c2ccc(C#N)n2C)C[C@H]1n1cc[nH+]c1 ZINC001362236438 971054121 /nfs/dbraw/zinc/05/41/21/971054121.db2.gz MWIPHXZPNFDCSH-SWLSCSKDSA-N 1 2 297.362 1.817 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C1CCC1 ZINC001235739804 944263160 /nfs/dbraw/zinc/26/31/60/944263160.db2.gz BMJNQSZRTDGACL-GDBMZVCRSA-N 1 2 292.423 1.605 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C1CCC1 ZINC001235739804 944263165 /nfs/dbraw/zinc/26/31/65/944263165.db2.gz BMJNQSZRTDGACL-GDBMZVCRSA-N 1 2 292.423 1.605 20 30 CDEDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cn4cc(C#N)ccc4n3)C[C@@H]21 ZINC001237607255 944880491 /nfs/dbraw/zinc/88/04/91/944880491.db2.gz UZCOKMDZFROBAT-NHAGDIPZSA-N 1 2 296.330 1.057 20 30 CDEDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cn4cc(C#N)ccc4n3)C[C@@H]21 ZINC001237607255 944880494 /nfs/dbraw/zinc/88/04/94/944880494.db2.gz UZCOKMDZFROBAT-NHAGDIPZSA-N 1 2 296.330 1.057 20 30 CDEDLO CCOC[C@@H]1C[N@@H+]([C@H]2CC[C@H](C#N)C2)Cc2nnn(C)c21 ZINC001254662219 947577835 /nfs/dbraw/zinc/57/78/35/947577835.db2.gz DBTKGFXAZBWJRW-AVGNSLFASA-N 1 2 289.383 1.443 20 30 CDEDLO CCOC[C@@H]1C[N@H+]([C@H]2CC[C@H](C#N)C2)Cc2nnn(C)c21 ZINC001254662219 947577840 /nfs/dbraw/zinc/57/78/40/947577840.db2.gz DBTKGFXAZBWJRW-AVGNSLFASA-N 1 2 289.383 1.443 20 30 CDEDLO N#Cc1ccc(-c2noc(CCc3c[nH]c[nH+]3)n2)nc1 ZINC001247104887 948593426 /nfs/dbraw/zinc/59/34/26/948593426.db2.gz IXHGJNFIHRBPKO-UHFFFAOYSA-N 1 2 266.264 1.512 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCCC)C1 ZINC001479954592 971506857 /nfs/dbraw/zinc/50/68/57/971506857.db2.gz PVWSRRKSHUOIFU-CYBMUJFWSA-N 1 2 281.400 1.059 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCCC)C1 ZINC001479954592 971506865 /nfs/dbraw/zinc/50/68/65/971506865.db2.gz PVWSRRKSHUOIFU-CYBMUJFWSA-N 1 2 281.400 1.059 20 30 CDEDLO C=CCOC[C@H](O)C[N@@H+]1CCc2nc(Cl)ccc2C1 ZINC001252469364 951317130 /nfs/dbraw/zinc/31/71/30/951317130.db2.gz ZUDUFWDAXHWGRM-GFCCVEGCSA-N 1 2 282.771 1.657 20 30 CDEDLO C=CCOC[C@H](O)C[N@H+]1CCc2nc(Cl)ccc2C1 ZINC001252469364 951317145 /nfs/dbraw/zinc/31/71/45/951317145.db2.gz ZUDUFWDAXHWGRM-GFCCVEGCSA-N 1 2 282.771 1.657 20 30 CDEDLO C=C[C@](C)(O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001252547779 951434948 /nfs/dbraw/zinc/43/49/48/951434948.db2.gz LFCMWDDXKOTYSM-GUBZILKMSA-N 1 2 271.254 1.261 20 30 CDEDLO C=C[C@](C)(O)C[N@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001252547779 951434957 /nfs/dbraw/zinc/43/49/57/951434957.db2.gz LFCMWDDXKOTYSM-GUBZILKMSA-N 1 2 271.254 1.261 20 30 CDEDLO C#CCO[C@H](C)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001324413394 953379691 /nfs/dbraw/zinc/37/96/91/953379691.db2.gz OXIZISAZODUUSR-ZIAGYGMSSA-N 1 2 289.379 1.240 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1nonc1C ZINC001493035973 971931479 /nfs/dbraw/zinc/93/14/79/971931479.db2.gz SRFNFXDHDOMTQC-UHFFFAOYSA-N 1 2 286.763 1.111 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1nonc1C ZINC001493035973 971931485 /nfs/dbraw/zinc/93/14/85/971931485.db2.gz SRFNFXDHDOMTQC-UHFFFAOYSA-N 1 2 286.763 1.111 20 30 CDEDLO CC(C)[C@H](C#N)N1CC[NH+](CCc2cscn2)CC1 ZINC001363218608 971988878 /nfs/dbraw/zinc/98/88/78/971988878.db2.gz WCBRWOWUGRQRLQ-AWEZNQCLSA-N 1 2 278.425 1.851 20 30 CDEDLO COC(=O)[C@]1(C)CCC[N@@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001364383190 954531269 /nfs/dbraw/zinc/53/12/69/954531269.db2.gz RSARONWFJYQMAK-HOCLYGCPSA-N 1 2 288.347 1.619 20 30 CDEDLO COC(=O)[C@]1(C)CCC[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001364383190 954531274 /nfs/dbraw/zinc/53/12/74/954531274.db2.gz RSARONWFJYQMAK-HOCLYGCPSA-N 1 2 288.347 1.619 20 30 CDEDLO C[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ncn(C)n1 ZINC001364400080 954562418 /nfs/dbraw/zinc/56/24/18/954562418.db2.gz FAMGHWUHAOZSCH-NSHDSACASA-N 1 2 298.350 1.366 20 30 CDEDLO CCNc1cc(CNc2ccnc(C#N)c2)cc[nH+]1 ZINC001307180882 954583704 /nfs/dbraw/zinc/58/37/04/954583704.db2.gz HAETYKLKONTVAZ-UHFFFAOYSA-N 1 2 253.309 1.814 20 30 CDEDLO Cc1noc([C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H](C)C#N)n1 ZINC001421841839 955586605 /nfs/dbraw/zinc/58/66/05/955586605.db2.gz PLYNLAFCXBLNKU-GHMZBOCLSA-N 1 2 293.371 1.379 20 30 CDEDLO Cc1noc([C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@H](C)C#N)n1 ZINC001421841839 955586611 /nfs/dbraw/zinc/58/66/11/955586611.db2.gz PLYNLAFCXBLNKU-GHMZBOCLSA-N 1 2 293.371 1.379 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCc1cncs1 ZINC001492424722 955877841 /nfs/dbraw/zinc/87/78/41/955877841.db2.gz UBBKIQWBCJDIFB-UHFFFAOYSA-N 1 2 287.816 1.876 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCc1cncs1 ZINC001492424722 955877849 /nfs/dbraw/zinc/87/78/49/955877849.db2.gz UBBKIQWBCJDIFB-UHFFFAOYSA-N 1 2 287.816 1.876 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(CC)nn1C ZINC001492466805 955908876 /nfs/dbraw/zinc/90/88/76/955908876.db2.gz QSPWPGMHARSFIQ-UHFFFAOYSA-N 1 2 284.791 1.397 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(CC)nn1C ZINC001492466805 955908883 /nfs/dbraw/zinc/90/88/83/955908883.db2.gz QSPWPGMHARSFIQ-UHFFFAOYSA-N 1 2 284.791 1.397 20 30 CDEDLO CNc1cc(CNc2cc(C)ncc2C#N)cc[nH+]1 ZINC001307214350 956378997 /nfs/dbraw/zinc/37/89/97/956378997.db2.gz AXYVEMFPQUHANU-UHFFFAOYSA-N 1 2 253.309 1.732 20 30 CDEDLO C#Cc1ccc(C[NH+]2CCN(Cc3nnc[nH]3)CC2)cc1 ZINC001331578719 957147430 /nfs/dbraw/zinc/14/74/30/957147430.db2.gz DVZVIUPQZDMUEM-UHFFFAOYSA-N 1 2 281.363 1.104 20 30 CDEDLO C#Cc1ccc(C[NH+]2CCN(Cc3nc[nH]n3)CC2)cc1 ZINC001331578719 957147437 /nfs/dbraw/zinc/14/74/37/957147437.db2.gz DVZVIUPQZDMUEM-UHFFFAOYSA-N 1 2 281.363 1.104 20 30 CDEDLO C=C[C@H](COC)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001332078900 957426240 /nfs/dbraw/zinc/42/62/40/957426240.db2.gz NGFWOEGIQSHPCM-ZWNOBZJWSA-N 1 2 278.356 1.107 20 30 CDEDLO C=C[C@H](COC)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001332078900 957426242 /nfs/dbraw/zinc/42/62/42/957426242.db2.gz NGFWOEGIQSHPCM-ZWNOBZJWSA-N 1 2 278.356 1.107 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1coc(C(N)=O)c1 ZINC001367529448 958107490 /nfs/dbraw/zinc/10/74/90/958107490.db2.gz VHLNBCWSBDKKQB-UHFFFAOYSA-N 1 2 299.758 1.135 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1coc(C(N)=O)c1 ZINC001367529448 958107497 /nfs/dbraw/zinc/10/74/97/958107497.db2.gz VHLNBCWSBDKKQB-UHFFFAOYSA-N 1 2 299.758 1.135 20 30 CDEDLO C[C@H]1CCc2nc(C[NH2+][C@@H]3CCCN(O)C3=O)sc2C1 ZINC001334375357 959064706 /nfs/dbraw/zinc/06/47/06/959064706.db2.gz OKFKKCJFNWWQDB-GXSJLCMTSA-N 1 2 295.408 1.738 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccnc(C)n1 ZINC001369000874 959390216 /nfs/dbraw/zinc/39/02/16/959390216.db2.gz MGSGMCMLZDTLFW-JTQLQIEISA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccnc(C)n1 ZINC001369000874 959390227 /nfs/dbraw/zinc/39/02/27/959390227.db2.gz MGSGMCMLZDTLFW-JTQLQIEISA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCc2cn[nH]c2)C1 ZINC001370033975 959967239 /nfs/dbraw/zinc/96/72/39/959967239.db2.gz RAYCHBRXUGREKI-LBPRGKRZSA-N 1 2 282.775 1.285 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCc2cn[nH]c2)C1 ZINC001370033975 959967246 /nfs/dbraw/zinc/96/72/46/959967246.db2.gz RAYCHBRXUGREKI-LBPRGKRZSA-N 1 2 282.775 1.285 20 30 CDEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C(=O)CC1(C)C ZINC001322325501 960183815 /nfs/dbraw/zinc/18/38/15/960183815.db2.gz NUWQPZYODBFHFN-UHFFFAOYSA-N 1 2 257.337 1.958 20 30 CDEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C(=O)CC1(C)C ZINC001322325501 960183819 /nfs/dbraw/zinc/18/38/19/960183819.db2.gz NUWQPZYODBFHFN-UHFFFAOYSA-N 1 2 257.337 1.958 20 30 CDEDLO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](C(N)=O)c2ccccn2)C1 ZINC001560846721 961019394 /nfs/dbraw/zinc/01/93/94/961019394.db2.gz MJLXOQQJAVONGA-NQBHXWOUSA-N 1 2 258.325 1.280 20 30 CDEDLO C=C[C@@H](COC)[NH2+]Cc1ncc(C2OCCO2)s1 ZINC001323965845 961075870 /nfs/dbraw/zinc/07/58/70/961075870.db2.gz RHGRRIUCQAALFD-VIFPVBQESA-N 1 2 270.354 1.479 20 30 CDEDLO N#CCC(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001337329131 961119944 /nfs/dbraw/zinc/11/99/44/961119944.db2.gz PUIVKMDPWIDATF-GFCCVEGCSA-N 1 2 263.728 1.727 20 30 CDEDLO N#Cc1ccc(C[NH2+]Cc2nc(C(N)=O)cs2)cc1 ZINC001434514066 961598934 /nfs/dbraw/zinc/59/89/34/961598934.db2.gz BFCYXPQMEQAKME-UHFFFAOYSA-N 1 2 272.333 1.403 20 30 CDEDLO CCc1nc(C#N)cc(NCc2[nH]c(C)c(C)[nH+]2)n1 ZINC001338085197 961617921 /nfs/dbraw/zinc/61/79/21/961617921.db2.gz WROIDBBEFXYVIA-UHFFFAOYSA-N 1 2 256.313 1.863 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnns1 ZINC001439302747 963707382 /nfs/dbraw/zinc/70/73/82/963707382.db2.gz MOIRDCQVTSJSDG-MRVPVSSYSA-N 1 2 274.777 1.341 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cnns1 ZINC001439302747 963707387 /nfs/dbraw/zinc/70/73/87/963707387.db2.gz MOIRDCQVTSJSDG-MRVPVSSYSA-N 1 2 274.777 1.341 20 30 CDEDLO CC[C@H](C(=O)N1CC(C)(C#N)C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001467644133 970085549 /nfs/dbraw/zinc/08/55/49/970085549.db2.gz XHLXUVQETZJCLM-QWHCGFSZSA-N 1 2 279.384 1.248 20 30 CDEDLO CC[C@H](C(=O)N1CC(C)(C#N)C1)[N@H+]1CCO[C@@H](CC)C1 ZINC001467644133 970085559 /nfs/dbraw/zinc/08/55/59/970085559.db2.gz XHLXUVQETZJCLM-QWHCGFSZSA-N 1 2 279.384 1.248 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1ccn(CC)n1 ZINC001498289675 973811586 /nfs/dbraw/zinc/81/15/86/973811586.db2.gz UXYVVVKOGIZEOJ-LBPRGKRZSA-N 1 2 298.818 1.635 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1ccn(CC)n1 ZINC001498289675 973811577 /nfs/dbraw/zinc/81/15/77/973811577.db2.gz UXYVVVKOGIZEOJ-LBPRGKRZSA-N 1 2 298.818 1.635 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCc1ccon1 ZINC001377188642 974920338 /nfs/dbraw/zinc/92/03/38/974920338.db2.gz HVXFXNDWZBIWSM-UHFFFAOYSA-N 1 2 271.748 1.408 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCc1ccon1 ZINC001377188642 974920343 /nfs/dbraw/zinc/92/03/43/974920343.db2.gz HVXFXNDWZBIWSM-UHFFFAOYSA-N 1 2 271.748 1.408 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCc1cscn1 ZINC001377283733 974956592 /nfs/dbraw/zinc/95/65/92/974956592.db2.gz SNNQFCPJTQBNGF-UHFFFAOYSA-N 1 2 287.816 1.876 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCc1cscn1 ZINC001377283733 974956597 /nfs/dbraw/zinc/95/65/97/974956597.db2.gz SNNQFCPJTQBNGF-UHFFFAOYSA-N 1 2 287.816 1.876 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1c(C)nn(C)c1C ZINC001505972080 975064585 /nfs/dbraw/zinc/06/45/85/975064585.db2.gz JKKYLSQVYKCOGY-JTQLQIEISA-N 1 2 298.818 1.840 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1c(C)nn(C)c1C ZINC001505972080 975064588 /nfs/dbraw/zinc/06/45/88/975064588.db2.gz JKKYLSQVYKCOGY-JTQLQIEISA-N 1 2 298.818 1.840 20 30 CDEDLO Cc1csc(C[NH+]2CC(CNC(=O)[C@H](C)C#N)C2)n1 ZINC001377959941 975186260 /nfs/dbraw/zinc/18/62/60/975186260.db2.gz KJMCAIHAKPTFRG-SECBINFHSA-N 1 2 278.381 1.159 20 30 CDEDLO Cc1nc(C[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N)sc1C ZINC001401356913 975610474 /nfs/dbraw/zinc/61/04/74/975610474.db2.gz FYYJDXUHZVDGIE-JTQLQIEISA-N 1 2 294.424 1.810 20 30 CDEDLO Cc1nc(C[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N)sc1C ZINC001401356913 975610482 /nfs/dbraw/zinc/61/04/82/975610482.db2.gz FYYJDXUHZVDGIE-JTQLQIEISA-N 1 2 294.424 1.810 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cncn1C ZINC001401753176 975875837 /nfs/dbraw/zinc/87/58/37/975875837.db2.gz ARAQGEZZLCZJTK-SNVBAGLBSA-N 1 2 270.764 1.223 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cncn1C ZINC001401753176 975875847 /nfs/dbraw/zinc/87/58/47/975875847.db2.gz ARAQGEZZLCZJTK-SNVBAGLBSA-N 1 2 270.764 1.223 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccsn1 ZINC001401749241 975877870 /nfs/dbraw/zinc/87/78/70/975877870.db2.gz DWRGNFCIIZYIHH-SECBINFHSA-N 1 2 273.789 1.946 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccsn1 ZINC001401749241 975877886 /nfs/dbraw/zinc/87/78/86/975877886.db2.gz DWRGNFCIIZYIHH-SECBINFHSA-N 1 2 273.789 1.946 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc(C)no1 ZINC001403099149 976710391 /nfs/dbraw/zinc/71/03/91/976710391.db2.gz PNDFOGGCGVEEHH-JTQLQIEISA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(C)no1 ZINC001403099149 976710399 /nfs/dbraw/zinc/71/03/99/976710399.db2.gz PNDFOGGCGVEEHH-JTQLQIEISA-N 1 2 271.748 1.786 20 30 CDEDLO CCOCC(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001400464604 977042570 /nfs/dbraw/zinc/04/25/70/977042570.db2.gz PPNCKOMGVXACFT-UHFFFAOYSA-N 1 2 287.363 1.143 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@H](C)n1cccn1 ZINC001403731914 977165646 /nfs/dbraw/zinc/16/56/46/977165646.db2.gz YNRRAYRSQCTVQA-LBPRGKRZSA-N 1 2 284.791 1.635 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@H](C)n1cccn1 ZINC001403731914 977165658 /nfs/dbraw/zinc/16/56/58/977165658.db2.gz YNRRAYRSQCTVQA-LBPRGKRZSA-N 1 2 284.791 1.635 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001132301988 1163228741 /nfs/dbraw/zinc/22/87/41/1163228741.db2.gz KLTRNWOZSOPJED-UHFFFAOYSA-N 1 2 292.383 1.755 20 30 CDEDLO C=CCC1(C(=O)NCC[NH2+]Cc2ncccn2)CCC1 ZINC001133392314 1163670276 /nfs/dbraw/zinc/67/02/76/1163670276.db2.gz QWOWBYWDBXHLEX-UHFFFAOYSA-N 1 2 274.368 1.429 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[NH2+][C@@H](C)c2nnc(CC)o2)C1 ZINC001133566040 1163787909 /nfs/dbraw/zinc/78/79/09/1163787909.db2.gz RVICRJYTUZKGRT-NSHDSACASA-N 1 2 292.383 1.755 20 30 CDEDLO C=C(C)c1cccc(NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)c1 ZINC001574850328 1171025271 /nfs/dbraw/zinc/02/52/71/1171025271.db2.gz XFSAPALCRMQAGY-GFCCVEGCSA-N 1 2 287.363 1.479 20 30 CDEDLO CCc1nc(C#N)cc(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000308164905 342508863 /nfs/dbraw/zinc/50/88/63/342508863.db2.gz FZCAXJDKBZZTEA-SNVBAGLBSA-N 1 2 256.313 1.608 20 30 CDEDLO C=C[C@H]([NH2+]CC1(COC)CCCCC1)C(=O)OC ZINC000589572728 342509012 /nfs/dbraw/zinc/50/90/12/342509012.db2.gz WKECTGIKPWBCQA-LBPRGKRZSA-N 1 2 255.358 1.901 20 30 CDEDLO CN(C)c1[nH+]cccc1NC(=O)c1cccc(C#N)n1 ZINC000589752588 342513277 /nfs/dbraw/zinc/51/32/77/342513277.db2.gz DICICJWAIYLYIU-UHFFFAOYSA-N 1 2 267.292 1.667 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000590022609 342520337 /nfs/dbraw/zinc/52/03/37/342520337.db2.gz KKECMFUVAVDULN-CHWSQXEVSA-N 1 2 253.342 1.463 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000590022609 342520338 /nfs/dbraw/zinc/52/03/38/342520338.db2.gz KKECMFUVAVDULN-CHWSQXEVSA-N 1 2 253.342 1.463 20 30 CDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000590377761 342540907 /nfs/dbraw/zinc/54/09/07/342540907.db2.gz WCQOOGZPNJBXQD-LLVKDONJSA-N 1 2 296.330 1.634 20 30 CDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000590377761 342540908 /nfs/dbraw/zinc/54/09/08/342540908.db2.gz WCQOOGZPNJBXQD-LLVKDONJSA-N 1 2 296.330 1.634 20 30 CDEDLO N#Cc1csc(C(=O)N2CCc3[nH]c[nH+]c3C2)c1 ZINC000590379455 342541281 /nfs/dbraw/zinc/54/12/81/342541281.db2.gz TXSDYYIXGXHKGN-UHFFFAOYSA-N 1 2 258.306 1.541 20 30 CDEDLO N#Cc1csc(C(=O)N2CCc3[nH+]c[nH]c3C2)c1 ZINC000590379455 342541282 /nfs/dbraw/zinc/54/12/82/342541282.db2.gz TXSDYYIXGXHKGN-UHFFFAOYSA-N 1 2 258.306 1.541 20 30 CDEDLO COC(=O)[C@@H](CNc1cc(C)[nH+]cc1C#N)CC1CC1 ZINC000565074992 365594077 /nfs/dbraw/zinc/59/40/77/365594077.db2.gz UKTUPKBLSKPSNK-GFCCVEGCSA-N 1 2 273.336 1.685 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000159692977 361747141 /nfs/dbraw/zinc/74/71/41/361747141.db2.gz ZWVJSYNTOXKGDY-UHFFFAOYSA-N 1 2 274.339 1.536 20 30 CDEDLO COc1ccc(CN(C)Cc2[nH+]ccn2C)cc1C#N ZINC000087833384 361776874 /nfs/dbraw/zinc/77/68/74/361776874.db2.gz LFHLNVAAMVHIPZ-UHFFFAOYSA-N 1 2 270.336 1.932 20 30 CDEDLO COc1ccc(C[N@H+](C)Cc2nccn2C)cc1C#N ZINC000087833384 361776879 /nfs/dbraw/zinc/77/68/79/361776879.db2.gz LFHLNVAAMVHIPZ-UHFFFAOYSA-N 1 2 270.336 1.932 20 30 CDEDLO COc1ccc(C[N@@H+](C)Cc2nccn2C)cc1C#N ZINC000087833384 361776883 /nfs/dbraw/zinc/77/68/83/361776883.db2.gz LFHLNVAAMVHIPZ-UHFFFAOYSA-N 1 2 270.336 1.932 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CCn2c[nH+]cc2C1 ZINC000590599067 342579711 /nfs/dbraw/zinc/57/97/11/342579711.db2.gz GIKYNKKTFZTFCY-GFCCVEGCSA-N 1 2 295.346 1.598 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1cnn(CC)c1 ZINC000072981259 342057627 /nfs/dbraw/zinc/05/76/27/342057627.db2.gz SLEUDWWJNSDAKJ-UHFFFAOYSA-N 1 2 278.400 1.759 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1cnn(CC)c1 ZINC000072981259 342057628 /nfs/dbraw/zinc/05/76/28/342057628.db2.gz SLEUDWWJNSDAKJ-UHFFFAOYSA-N 1 2 278.400 1.759 20 30 CDEDLO N#CCCCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000609143618 342092128 /nfs/dbraw/zinc/09/21/28/342092128.db2.gz AGSAMUGPIZCPDI-UHFFFAOYSA-N 1 2 270.296 1.086 20 30 CDEDLO C=C[C@H]([NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1)C(=O)OC ZINC000590758009 342643972 /nfs/dbraw/zinc/64/39/72/342643972.db2.gz CTXJZLDRCDBQPU-RWMBFGLXSA-N 1 2 253.342 1.101 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147936 342668282 /nfs/dbraw/zinc/66/82/82/342668282.db2.gz UFYKFUIVZOHDQV-IAQYHMDHSA-N 1 2 291.326 1.503 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147936 342668283 /nfs/dbraw/zinc/66/82/83/342668283.db2.gz UFYKFUIVZOHDQV-IAQYHMDHSA-N 1 2 291.326 1.503 20 30 CDEDLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149708 342668689 /nfs/dbraw/zinc/66/86/89/342668689.db2.gz UVPWWGYGTSLWQJ-ZBEGNZNMSA-N 1 2 298.346 1.747 20 30 CDEDLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149708 342668690 /nfs/dbraw/zinc/66/86/90/342668690.db2.gz UVPWWGYGTSLWQJ-ZBEGNZNMSA-N 1 2 298.346 1.747 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000592155276 342670235 /nfs/dbraw/zinc/67/02/35/342670235.db2.gz ZKBPJAXUEFMMGK-GFCCVEGCSA-N 1 2 285.269 1.951 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000592155276 342670236 /nfs/dbraw/zinc/67/02/36/342670236.db2.gz ZKBPJAXUEFMMGK-GFCCVEGCSA-N 1 2 285.269 1.951 20 30 CDEDLO Cc1nn2c(C[N@@H+]3CC[C@](O)(CC#N)C3)c(C)nc2s1 ZINC000592522305 342702278 /nfs/dbraw/zinc/70/22/78/342702278.db2.gz LKEILYZZOWCFAN-CYBMUJFWSA-N 1 2 291.380 1.258 20 30 CDEDLO Cc1nn2c(C[N@H+]3CC[C@](O)(CC#N)C3)c(C)nc2s1 ZINC000592522305 342702279 /nfs/dbraw/zinc/70/22/79/342702279.db2.gz LKEILYZZOWCFAN-CYBMUJFWSA-N 1 2 291.380 1.258 20 30 CDEDLO COc1ccc(C[N@H+](C)CC(=O)NC2CC2)cc1C#N ZINC000087833319 361863270 /nfs/dbraw/zinc/86/32/70/361863270.db2.gz DVYYCBGFRFBEJS-UHFFFAOYSA-N 1 2 273.336 1.277 20 30 CDEDLO COc1ccc(C[N@@H+](C)CC(=O)NC2CC2)cc1C#N ZINC000087833319 361863276 /nfs/dbraw/zinc/86/32/76/361863276.db2.gz DVYYCBGFRFBEJS-UHFFFAOYSA-N 1 2 273.336 1.277 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)[C@@H](CC)CO1 ZINC000593057158 342760205 /nfs/dbraw/zinc/76/02/05/342760205.db2.gz CLDKMAQUPOOQFW-SQWLQELKSA-N 1 2 293.411 1.684 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)[C@@H](CC)CO1 ZINC000593057158 342760206 /nfs/dbraw/zinc/76/02/06/342760206.db2.gz CLDKMAQUPOOQFW-SQWLQELKSA-N 1 2 293.411 1.684 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](CC)CO1 ZINC000593058763 342760350 /nfs/dbraw/zinc/76/03/50/342760350.db2.gz OFZNPCTXGFPKLH-SQWLQELKSA-N 1 2 295.427 1.930 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](CC)CO1 ZINC000593058763 342760351 /nfs/dbraw/zinc/76/03/51/342760351.db2.gz OFZNPCTXGFPKLH-SQWLQELKSA-N 1 2 295.427 1.930 20 30 CDEDLO Cc1noc(C)c1[C@@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593154278 342774105 /nfs/dbraw/zinc/77/41/05/342774105.db2.gz CQVGRNWDGSXQTJ-OTYXRUKQSA-N 1 2 278.356 1.355 20 30 CDEDLO CC[C@@H](C#N)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000593396228 342794776 /nfs/dbraw/zinc/79/47/76/342794776.db2.gz AZUOCOQJVZCXBI-ZDUSSCGKSA-N 1 2 272.352 1.848 20 30 CDEDLO N#Cc1cccc2c1C[N@H+](C[C@@H]1CNc3ccnn3C1)C2 ZINC000593695569 342824517 /nfs/dbraw/zinc/82/45/17/342824517.db2.gz BSUXMYSECFXLOP-LBPRGKRZSA-N 1 2 279.347 1.812 20 30 CDEDLO N#Cc1cccc2c1C[N@@H+](C[C@@H]1CNc3ccnn3C1)C2 ZINC000593695569 342824518 /nfs/dbraw/zinc/82/45/18/342824518.db2.gz BSUXMYSECFXLOP-LBPRGKRZSA-N 1 2 279.347 1.812 20 30 CDEDLO CC[C@@H](C#N)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000593508576 342804778 /nfs/dbraw/zinc/80/47/78/342804778.db2.gz SHJRABOUOXJMLZ-AWEZNQCLSA-N 1 2 287.363 1.586 20 30 CDEDLO COCC#CC[N@H+](CC(=O)OC(C)(C)C)C1CCC1 ZINC000594055845 342869368 /nfs/dbraw/zinc/86/93/68/342869368.db2.gz RZHZPSNQLXHNSI-UHFFFAOYSA-N 1 2 267.369 1.832 20 30 CDEDLO COCC#CC[N@@H+](CC(=O)OC(C)(C)C)C1CCC1 ZINC000594055845 342869369 /nfs/dbraw/zinc/86/93/69/342869369.db2.gz RZHZPSNQLXHNSI-UHFFFAOYSA-N 1 2 267.369 1.832 20 30 CDEDLO CC[C@@H](C#N)N(C)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000594094973 342873639 /nfs/dbraw/zinc/87/36/39/342873639.db2.gz RTMQGTPZIQBGPN-JTQLQIEISA-N 1 2 270.296 1.036 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(C#N)cc1 ZINC000594226113 342883320 /nfs/dbraw/zinc/88/33/20/342883320.db2.gz APGOAWVYHKYBTD-NSHDSACASA-N 1 2 268.320 1.776 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(C#N)cc1 ZINC000594226113 342883322 /nfs/dbraw/zinc/88/33/22/342883322.db2.gz APGOAWVYHKYBTD-NSHDSACASA-N 1 2 268.320 1.776 20 30 CDEDLO COc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)on1 ZINC000595288988 343024304 /nfs/dbraw/zinc/02/43/04/343024304.db2.gz AELUZJUKAWQDDR-UHFFFAOYSA-N 1 2 299.334 1.272 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)NCCc1ccc(C#N)cc1 ZINC000595515079 343083109 /nfs/dbraw/zinc/08/31/09/343083109.db2.gz HJCDEQHEJJAKNA-UHFFFAOYSA-N 1 2 283.335 1.334 20 30 CDEDLO N#CC[C@H]1CCCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000595590096 343094994 /nfs/dbraw/zinc/09/49/94/343094994.db2.gz RUTLIOKKUSRLKR-CHWSQXEVSA-N 1 2 287.367 1.533 20 30 CDEDLO C=C(Cl)CNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000077790042 342332175 /nfs/dbraw/zinc/33/21/75/342332175.db2.gz RPKCWGUPXXNCQF-UHFFFAOYSA-N 1 2 291.742 1.819 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2[C@H](C)O)c(C#N)c1C ZINC000595769753 343146806 /nfs/dbraw/zinc/14/68/06/343146806.db2.gz LHSQFHJIVCZWOE-GXFFZTMASA-N 1 2 291.351 1.552 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2[C@H](C)O)c(C#N)c1C ZINC000595769753 343146809 /nfs/dbraw/zinc/14/68/09/343146809.db2.gz LHSQFHJIVCZWOE-GXFFZTMASA-N 1 2 291.351 1.552 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)C(=O)NC2CC2)c1 ZINC000080049670 342349744 /nfs/dbraw/zinc/34/97/44/342349744.db2.gz QYKCUYXTCIAYBU-GFCCVEGCSA-N 1 2 299.374 1.205 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)C(=O)NC2CC2)c1 ZINC000080049670 342349745 /nfs/dbraw/zinc/34/97/45/342349745.db2.gz QYKCUYXTCIAYBU-GFCCVEGCSA-N 1 2 299.374 1.205 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](C(=O)OC)[C@@H](C)C2)nn1 ZINC000595819910 343166183 /nfs/dbraw/zinc/16/61/83/343166183.db2.gz YBLQFLPXSDPSLZ-GXTWGEPZSA-N 1 2 292.383 1.485 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](C(=O)OC)[C@@H](C)C2)nn1 ZINC000595819910 343166185 /nfs/dbraw/zinc/16/61/85/343166185.db2.gz YBLQFLPXSDPSLZ-GXTWGEPZSA-N 1 2 292.383 1.485 20 30 CDEDLO Cc1ccc(C#N)c(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)n1 ZINC000596431609 343319384 /nfs/dbraw/zinc/31/93/84/343319384.db2.gz PQHFSYPISIPWDQ-CHWSQXEVSA-N 1 2 274.368 1.783 20 30 CDEDLO Cc1ccc(C#N)c(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)n1 ZINC000596431609 343319387 /nfs/dbraw/zinc/31/93/87/343319387.db2.gz PQHFSYPISIPWDQ-CHWSQXEVSA-N 1 2 274.368 1.783 20 30 CDEDLO N#Cc1cc(NCc2ccc[nH+]c2N2CCCC2)ncn1 ZINC000596357629 343309679 /nfs/dbraw/zinc/30/96/79/343309679.db2.gz UBLQHBVUVPUSBM-UHFFFAOYSA-N 1 2 280.335 1.377 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2ncccc2F)CC1 ZINC000090632144 342396667 /nfs/dbraw/zinc/39/66/67/342396667.db2.gz IVVUBOCTEMPRRT-GFCCVEGCSA-N 1 2 292.358 1.033 20 30 CDEDLO C[C@@H]1CSCCN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330197640 362177508 /nfs/dbraw/zinc/17/75/08/362177508.db2.gz SBZKMQSXKXIPAZ-GHMZBOCLSA-N 1 2 280.397 1.549 20 30 CDEDLO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000330234048 362187102 /nfs/dbraw/zinc/18/71/02/362187102.db2.gz SKGWEPAZJIPTCF-TUAOUCFPSA-N 1 2 288.413 1.250 20 30 CDEDLO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000330234048 362187103 /nfs/dbraw/zinc/18/71/03/362187103.db2.gz SKGWEPAZJIPTCF-TUAOUCFPSA-N 1 2 288.413 1.250 20 30 CDEDLO C[C@H](C#N)C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000597642092 343589804 /nfs/dbraw/zinc/58/98/04/343589804.db2.gz TXEVULFXLLKKBB-GFCCVEGCSA-N 1 2 292.408 1.767 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2cccnc2C2CC2)C1 ZINC000329563727 529787955 /nfs/dbraw/zinc/78/79/55/529787955.db2.gz NQOYHXRGHCBYOV-GFCCVEGCSA-N 1 2 275.352 1.594 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)c2cccnc2C2CC2)C1 ZINC000329563727 529787956 /nfs/dbraw/zinc/78/79/56/529787956.db2.gz NQOYHXRGHCBYOV-GFCCVEGCSA-N 1 2 275.352 1.594 20 30 CDEDLO C=CCCSCCNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000597970290 343687530 /nfs/dbraw/zinc/68/75/30/343687530.db2.gz NCNDHDQPXPNCEN-CYBMUJFWSA-N 1 2 296.440 1.448 20 30 CDEDLO C=C[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)C(=O)OC ZINC000619703917 349860154 /nfs/dbraw/zinc/86/01/54/349860154.db2.gz UJQRXNFXDDAVEH-NEPJUHHUSA-N 1 2 253.342 1.795 20 30 CDEDLO Cc1cccc(CCSc2nnc(CC#N)n2C)[nH+]1 ZINC000573487200 334941601 /nfs/dbraw/zinc/94/16/01/334941601.db2.gz AKVYJUJQRPDQMN-UHFFFAOYSA-N 1 2 273.365 1.919 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(C(=O)NCCCC)CC1 ZINC000619715781 349865901 /nfs/dbraw/zinc/86/59/01/349865901.db2.gz OMRQVJDHHHWMME-ZDUSSCGKSA-N 1 2 282.384 1.342 20 30 CDEDLO C[C@@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)c1[nH+]ccn1C ZINC000598465029 343806611 /nfs/dbraw/zinc/80/66/11/343806611.db2.gz NSJVAIKQQAKRCH-LLVKDONJSA-N 1 2 297.362 1.849 20 30 CDEDLO CC(F)(F)C[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600738534 349877782 /nfs/dbraw/zinc/87/77/82/349877782.db2.gz JKKBYJQFJWYQIO-NSHDSACASA-N 1 2 270.279 1.543 20 30 CDEDLO CC(C)CN1CC[N@H+](C[C@H](O)CC(C)(C)C#N)CC1=O ZINC000598606190 343851835 /nfs/dbraw/zinc/85/18/35/343851835.db2.gz JSOQDZPMXZBBOE-CYBMUJFWSA-N 1 2 281.400 1.087 20 30 CDEDLO CC(C)CN1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)CC1=O ZINC000598606190 343851838 /nfs/dbraw/zinc/85/18/38/343851838.db2.gz JSOQDZPMXZBBOE-CYBMUJFWSA-N 1 2 281.400 1.087 20 30 CDEDLO C[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1CO ZINC000598651706 343858419 /nfs/dbraw/zinc/85/84/19/343858419.db2.gz UUMHWLWIZNKBIU-ZYHUDNBSSA-N 1 2 293.392 1.509 20 30 CDEDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1CO ZINC000598651706 343858421 /nfs/dbraw/zinc/85/84/21/343858421.db2.gz UUMHWLWIZNKBIU-ZYHUDNBSSA-N 1 2 293.392 1.509 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1CCC2(CC2)CC1 ZINC000598837669 343915123 /nfs/dbraw/zinc/91/51/23/343915123.db2.gz XXCVBGMIMDGKFH-CQSZACIVSA-N 1 2 263.385 1.917 20 30 CDEDLO N#Cc1cccc(Cn2cc(CC[NH+]3CCOCC3)nn2)c1 ZINC000600972602 349897103 /nfs/dbraw/zinc/89/71/03/349897103.db2.gz KZGNIHSQKUHCNK-UHFFFAOYSA-N 1 2 297.362 1.073 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2ncsc2C1 ZINC000445861345 362276672 /nfs/dbraw/zinc/27/66/72/362276672.db2.gz AKDJHHKGPHWNRB-SNVBAGLBSA-N 1 2 278.381 1.262 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCc2ncsc2C1 ZINC000445861345 362276678 /nfs/dbraw/zinc/27/66/78/362276678.db2.gz AKDJHHKGPHWNRB-SNVBAGLBSA-N 1 2 278.381 1.262 20 30 CDEDLO N#C[C@]1(C(=O)N2CCc3[nH]c[nH+]c3C2)CC12CCCC2 ZINC000599952722 344156636 /nfs/dbraw/zinc/15/66/36/344156636.db2.gz QVOKJGBUKKAZRB-HNNXBMFYSA-N 1 2 270.336 1.768 20 30 CDEDLO N#C[C@]1(C(=O)N2CCc3[nH+]c[nH]c3C2)CC12CCCC2 ZINC000599952722 344156639 /nfs/dbraw/zinc/15/66/39/344156639.db2.gz QVOKJGBUKKAZRB-HNNXBMFYSA-N 1 2 270.336 1.768 20 30 CDEDLO COC[C@@](C)(C#N)NC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000602123171 344353717 /nfs/dbraw/zinc/35/37/17/344353717.db2.gz UYUPDGNCSFTZIT-CQSZACIVSA-N 1 2 272.308 1.301 20 30 CDEDLO Cc1[nH]c(CN2CCN([C@H](C#N)C(C)C)CC2)[nH+]c1C ZINC000602796026 344586735 /nfs/dbraw/zinc/58/67/35/344586735.db2.gz QDPVTIXVSBLLSZ-CQSZACIVSA-N 1 2 275.400 1.692 20 30 CDEDLO N#CCC1(C[NH+]2CCN(C(=O)c3cccc(O)c3)CC2)CC1 ZINC000602796878 344587979 /nfs/dbraw/zinc/58/79/79/344587979.db2.gz ZZHPYHWXVUTFQK-UHFFFAOYSA-N 1 2 299.374 1.844 20 30 CDEDLO CC[C@@H]1C[N@H+](CC2(CC#N)CC2)C[C@@H](C)[S@@]1=O ZINC000602831466 344614265 /nfs/dbraw/zinc/61/42/65/344614265.db2.gz PHMFSMPWMUPHLM-QFSBIZTOSA-N 1 2 254.399 1.912 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC2(CC#N)CC2)C[C@@H](C)[S@@]1=O ZINC000602831466 344614266 /nfs/dbraw/zinc/61/42/66/344614266.db2.gz PHMFSMPWMUPHLM-QFSBIZTOSA-N 1 2 254.399 1.912 20 30 CDEDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000602806349 344615324 /nfs/dbraw/zinc/61/53/24/344615324.db2.gz RSBVESGFYITCIB-ZDUSSCGKSA-N 1 2 277.328 1.725 20 30 CDEDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000602806349 344615325 /nfs/dbraw/zinc/61/53/25/344615325.db2.gz RSBVESGFYITCIB-ZDUSSCGKSA-N 1 2 277.328 1.725 20 30 CDEDLO COc1ccncc1C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602848569 344625580 /nfs/dbraw/zinc/62/55/80/344625580.db2.gz GYNQIMSJAUOFPM-STQMWFEESA-N 1 2 274.368 1.508 20 30 CDEDLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612159709 347063965 /nfs/dbraw/zinc/06/39/65/347063965.db2.gz YIRPWRUXCWCFAH-OCCSQVGLSA-N 1 2 251.374 1.773 20 30 CDEDLO CC(C)CNC(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612159709 347063966 /nfs/dbraw/zinc/06/39/66/347063966.db2.gz YIRPWRUXCWCFAH-OCCSQVGLSA-N 1 2 251.374 1.773 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000602867528 344639325 /nfs/dbraw/zinc/63/93/25/344639325.db2.gz DPYCATOETOMYKZ-GHMZBOCLSA-N 1 2 256.309 1.777 20 30 CDEDLO C[C@@H](NC(=O)COc1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000139671924 345322196 /nfs/dbraw/zinc/32/21/96/345322196.db2.gz XPLZVMFNDHSVON-SNVBAGLBSA-N 1 2 270.292 1.538 20 30 CDEDLO Cn1nnc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)n1 ZINC000618803278 345340517 /nfs/dbraw/zinc/34/05/17/345340517.db2.gz SGUOBZPBGQFJIG-CYBMUJFWSA-N 1 2 268.324 1.249 20 30 CDEDLO C[N@@H+](Cc1ccon1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000265794728 362612208 /nfs/dbraw/zinc/61/22/08/362612208.db2.gz MVBCEDRFQMRWKJ-CQSZACIVSA-N 1 2 287.319 1.418 20 30 CDEDLO C[N@H+](Cc1ccon1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000265794728 362612216 /nfs/dbraw/zinc/61/22/16/362612216.db2.gz MVBCEDRFQMRWKJ-CQSZACIVSA-N 1 2 287.319 1.418 20 30 CDEDLO N#CCCN1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000609564470 345809971 /nfs/dbraw/zinc/80/99/71/345809971.db2.gz XHGBRLYJTFKIIL-OAHLLOKOSA-N 1 2 293.798 1.905 20 30 CDEDLO C=C[C@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)C(=O)OC ZINC000619856040 349938460 /nfs/dbraw/zinc/93/84/60/349938460.db2.gz FZROMPXRRLQFIS-WZRBSPASSA-N 1 2 255.358 1.897 20 30 CDEDLO C=CCN(C(=O)CCCn1cc[nH+]c1)[C@@H](C)COC ZINC000617578131 345864339 /nfs/dbraw/zinc/86/43/39/345864339.db2.gz CUGJPFIHEIFBAL-ZDUSSCGKSA-N 1 2 265.357 1.713 20 30 CDEDLO C=CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H](C)COC ZINC000617581573 345866973 /nfs/dbraw/zinc/86/69/73/345866973.db2.gz UGPNSBQGBHVUFX-QWHCGFSZSA-N 1 2 277.368 1.495 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000127534613 187313756 /nfs/dbraw/zinc/31/37/56/187313756.db2.gz FQIXGULKZFUUEX-LBPRGKRZSA-N 1 2 297.399 1.230 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000127534613 187313758 /nfs/dbraw/zinc/31/37/58/187313758.db2.gz FQIXGULKZFUUEX-LBPRGKRZSA-N 1 2 297.399 1.230 20 30 CDEDLO Cc1nnc(N2CC[NH+](C3CCC3)CC2)c(C#N)c1C ZINC000328678767 136544653 /nfs/dbraw/zinc/54/46/53/136544653.db2.gz SYBBNWPALGIJME-UHFFFAOYSA-N 1 2 271.368 1.640 20 30 CDEDLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612321256 347113309 /nfs/dbraw/zinc/11/33/09/347113309.db2.gz UNDMDBCJVYSTHD-AWEZNQCLSA-N 1 2 258.325 1.970 20 30 CDEDLO C[C@]1(C#N)CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000612365247 347132823 /nfs/dbraw/zinc/13/28/23/347132823.db2.gz UJISPKOGJNYEDQ-SWLSCSKDSA-N 1 2 272.352 1.598 20 30 CDEDLO C=C[C@@H](O)C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000612529595 347200894 /nfs/dbraw/zinc/20/08/94/347200894.db2.gz NPOZMWRHSJVXFT-CQSZACIVSA-N 1 2 294.782 1.531 20 30 CDEDLO C=C[C@H](O)C(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000612995116 347359976 /nfs/dbraw/zinc/35/99/76/347359976.db2.gz VZFGHPNFBMQBMS-BBRMVZONSA-N 1 2 299.374 1.883 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNc2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613417284 347720634 /nfs/dbraw/zinc/72/06/34/347720634.db2.gz KEMZJPHUDXTPMZ-CYBMUJFWSA-N 1 2 288.395 1.993 20 30 CDEDLO C[N@H+]1CCO[C@H](CNc2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613417284 347720635 /nfs/dbraw/zinc/72/06/35/347720635.db2.gz KEMZJPHUDXTPMZ-CYBMUJFWSA-N 1 2 288.395 1.993 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000355140524 365938503 /nfs/dbraw/zinc/93/85/03/365938503.db2.gz VVCBGWRDAXOOEO-HZSPNIEDSA-N 1 2 284.400 1.193 20 30 CDEDLO Cc1ccc(F)cc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414127071 362920643 /nfs/dbraw/zinc/92/06/43/362920643.db2.gz PEYFIQIYCRCXEA-CYBMUJFWSA-N 1 2 266.316 1.719 20 30 CDEDLO Cc1ccc(F)cc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414127071 362920651 /nfs/dbraw/zinc/92/06/51/362920651.db2.gz PEYFIQIYCRCXEA-CYBMUJFWSA-N 1 2 266.316 1.719 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc2c(c1)OCCO2 ZINC000414145195 362922799 /nfs/dbraw/zinc/92/27/99/362922799.db2.gz PCUGFPPAOUBQAT-LBPRGKRZSA-N 1 2 292.335 1.043 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc2c(c1)OCCO2 ZINC000414145195 362922804 /nfs/dbraw/zinc/92/28/04/362922804.db2.gz PCUGFPPAOUBQAT-LBPRGKRZSA-N 1 2 292.335 1.043 20 30 CDEDLO C#CC[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000043536404 348757750 /nfs/dbraw/zinc/75/77/50/348757750.db2.gz KKOVPRBRABCRRH-UHFFFAOYSA-N 1 2 263.272 1.489 20 30 CDEDLO CC(=O)N1CCC[N@H+](Cc2cccc(C#N)n2)CC1 ZINC000602431419 350109736 /nfs/dbraw/zinc/10/97/36/350109736.db2.gz RGRLGBOLBAJXKN-UHFFFAOYSA-N 1 2 258.325 1.007 20 30 CDEDLO CC(=O)N1CCC[N@@H+](Cc2cccc(C#N)n2)CC1 ZINC000602431419 350109738 /nfs/dbraw/zinc/10/97/38/350109738.db2.gz RGRLGBOLBAJXKN-UHFFFAOYSA-N 1 2 258.325 1.007 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCOC3(CCOCC3)C2)n1 ZINC000602481377 350114068 /nfs/dbraw/zinc/11/40/68/350114068.db2.gz BMEYCBFKSHDOSD-UHFFFAOYSA-N 1 2 273.336 1.335 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCOC3(CCOCC3)C2)n1 ZINC000602481377 350114071 /nfs/dbraw/zinc/11/40/71/350114071.db2.gz BMEYCBFKSHDOSD-UHFFFAOYSA-N 1 2 273.336 1.335 20 30 CDEDLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cccc(C#N)n3)C2)n1 ZINC000602488604 350114394 /nfs/dbraw/zinc/11/43/94/350114394.db2.gz YWHDBKZNSQNERZ-LBPRGKRZSA-N 1 2 282.351 1.759 20 30 CDEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cccc(C#N)n3)C2)n1 ZINC000602488604 350114398 /nfs/dbraw/zinc/11/43/98/350114398.db2.gz YWHDBKZNSQNERZ-LBPRGKRZSA-N 1 2 282.351 1.759 20 30 CDEDLO Cc1nc([C@H]2CCC[N@H+](Cc3cccc(C#N)n3)C2)n[nH]1 ZINC000602488604 350114399 /nfs/dbraw/zinc/11/43/99/350114399.db2.gz YWHDBKZNSQNERZ-LBPRGKRZSA-N 1 2 282.351 1.759 20 30 CDEDLO Cc1nc([C@H]2CCC[N@@H+](Cc3cccc(C#N)n3)C2)n[nH]1 ZINC000602488604 350114402 /nfs/dbraw/zinc/11/44/02/350114402.db2.gz YWHDBKZNSQNERZ-LBPRGKRZSA-N 1 2 282.351 1.759 20 30 CDEDLO Cn1cc([C@H]2CSCC[N@@H+]2Cc2cccc(C#N)n2)cn1 ZINC000602633571 350135126 /nfs/dbraw/zinc/13/51/26/350135126.db2.gz YROPVCVAELNEDE-OAHLLOKOSA-N 1 2 299.403 1.977 20 30 CDEDLO Cn1cc([C@H]2CSCC[N@H+]2Cc2cccc(C#N)n2)cn1 ZINC000602633571 350135128 /nfs/dbraw/zinc/13/51/28/350135128.db2.gz YROPVCVAELNEDE-OAHLLOKOSA-N 1 2 299.403 1.977 20 30 CDEDLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1cccc(C#N)n1 ZINC000602647143 350135927 /nfs/dbraw/zinc/13/59/27/350135927.db2.gz HNOYMWAZHNDGPO-LLVKDONJSA-N 1 2 261.325 1.727 20 30 CDEDLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1cccc(C#N)n1 ZINC000602647143 350135930 /nfs/dbraw/zinc/13/59/30/350135930.db2.gz HNOYMWAZHNDGPO-LLVKDONJSA-N 1 2 261.325 1.727 20 30 CDEDLO N#Cc1ccc(NCC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000604447146 350363018 /nfs/dbraw/zinc/36/30/18/350363018.db2.gz PXQDSBCXSKWONS-UHFFFAOYSA-N 1 2 297.362 1.763 20 30 CDEDLO N#CCCCCNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000264109083 362969788 /nfs/dbraw/zinc/96/97/88/362969788.db2.gz IXMPJAPHMHAKCV-UHFFFAOYSA-N 1 2 290.367 1.801 20 30 CDEDLO CN(CC[NH+]1CCOCC1)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000264156921 362982434 /nfs/dbraw/zinc/98/24/34/362982434.db2.gz XKNCRNHIFVKAHS-UHFFFAOYSA-N 1 2 290.323 1.235 20 30 CDEDLO C[C@H](CNC(=O)COc1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000153400461 188080959 /nfs/dbraw/zinc/08/09/59/188080959.db2.gz WBCYLJMAYSURHH-CYBMUJFWSA-N 1 2 298.346 1.586 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000157235289 188305269 /nfs/dbraw/zinc/30/52/69/188305269.db2.gz HXJULKFBBNQBFU-WFASDCNBSA-N 1 2 290.363 1.539 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000157235289 188305271 /nfs/dbraw/zinc/30/52/71/188305271.db2.gz HXJULKFBBNQBFU-WFASDCNBSA-N 1 2 290.363 1.539 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccccc1C(=O)OC ZINC000569985316 363273984 /nfs/dbraw/zinc/27/39/84/363273984.db2.gz JVHYHZCMIWXJMM-NSHDSACASA-N 1 2 289.335 1.694 20 30 CDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ncc(C#N)cc1F ZINC000413281868 291067869 /nfs/dbraw/zinc/06/78/69/291067869.db2.gz OBKDYUNPAGFQPM-WCQYABFASA-N 1 2 290.342 1.392 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1nccs1 ZINC000272835497 191939466 /nfs/dbraw/zinc/93/94/66/191939466.db2.gz IPXZMKAVMUYSQC-VIFPVBQESA-N 1 2 260.384 1.395 20 30 CDEDLO Cc1cc(N(C)CCCn2cc[nH+]c2)cc(C#N)n1 ZINC000342651392 356103020 /nfs/dbraw/zinc/10/30/20/356103020.db2.gz BQXBFOKDOJYBIS-UHFFFAOYSA-N 1 2 255.325 1.985 20 30 CDEDLO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1cc(C#N)cs1 ZINC000336348447 356148441 /nfs/dbraw/zinc/14/84/41/356148441.db2.gz DWVHCVAYKYRBQF-BTDLBPIBSA-N 1 2 268.407 1.963 20 30 CDEDLO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1cc(C#N)cs1 ZINC000336348447 356148443 /nfs/dbraw/zinc/14/84/43/356148443.db2.gz DWVHCVAYKYRBQF-BTDLBPIBSA-N 1 2 268.407 1.963 20 30 CDEDLO CC1(C)CCCN(C(=O)/C=C/c2[nH]cc[nH+]2)[C@@H]1C#N ZINC000493272226 366243314 /nfs/dbraw/zinc/24/33/14/366243314.db2.gz UJMJDXZSOAVYTK-SGUJLRQBSA-N 1 2 258.325 1.964 20 30 CDEDLO C#CCSCCNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000298402531 356853389 /nfs/dbraw/zinc/85/33/89/356853389.db2.gz VVAFCEXZEFNFFJ-SNVBAGLBSA-N 1 2 266.370 1.048 20 30 CDEDLO C#CCSCCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000298402531 356853392 /nfs/dbraw/zinc/85/33/92/356853392.db2.gz VVAFCEXZEFNFFJ-SNVBAGLBSA-N 1 2 266.370 1.048 20 30 CDEDLO C=CCCCCNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000298658529 356908436 /nfs/dbraw/zinc/90/84/36/356908436.db2.gz QTRVKUMYCTUKCK-UHFFFAOYSA-N 1 2 286.335 1.745 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000299414393 357056861 /nfs/dbraw/zinc/05/68/61/357056861.db2.gz WHISCBSRZFQUSL-SLTAFYQDSA-N 1 2 260.381 1.638 20 30 CDEDLO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000290530930 357210740 /nfs/dbraw/zinc/21/07/40/357210740.db2.gz ZIWIOHBRBAMOGV-LLVKDONJSA-N 1 2 279.365 1.069 20 30 CDEDLO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000290530930 357210746 /nfs/dbraw/zinc/21/07/46/357210746.db2.gz ZIWIOHBRBAMOGV-LLVKDONJSA-N 1 2 279.365 1.069 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)s1 ZINC000187530694 357775525 /nfs/dbraw/zinc/77/55/25/357775525.db2.gz WFKCQHGEUVCXDO-CYBMUJFWSA-N 1 2 264.350 1.611 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)s1 ZINC000187530694 357775528 /nfs/dbraw/zinc/77/55/28/357775528.db2.gz WFKCQHGEUVCXDO-CYBMUJFWSA-N 1 2 264.350 1.611 20 30 CDEDLO C[N@H+](CCOCCO)Cc1ccc(F)cc1C#N ZINC000306063108 357794933 /nfs/dbraw/zinc/79/49/33/357794933.db2.gz XOMHFBQBWABYCW-UHFFFAOYSA-N 1 2 252.289 1.138 20 30 CDEDLO C[N@@H+](CCOCCO)Cc1ccc(F)cc1C#N ZINC000306063108 357794937 /nfs/dbraw/zinc/79/49/37/357794937.db2.gz XOMHFBQBWABYCW-UHFFFAOYSA-N 1 2 252.289 1.138 20 30 CDEDLO C=CCOc1ccc(CC(=O)NCc2[nH+]ccn2C)cc1 ZINC000294571931 199090580 /nfs/dbraw/zinc/09/05/80/199090580.db2.gz LRPPWQRQPWQHLM-UHFFFAOYSA-N 1 2 285.347 1.844 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)s1 ZINC000337585556 358089489 /nfs/dbraw/zinc/08/94/89/358089489.db2.gz KRDXJQMORIYGPJ-ZDUSSCGKSA-N 1 2 298.371 1.801 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000294716520 199149426 /nfs/dbraw/zinc/14/94/26/199149426.db2.gz CEMMVIWXMXGPOR-GFCCVEGCSA-N 1 2 258.321 1.019 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000294716520 199149428 /nfs/dbraw/zinc/14/94/28/199149428.db2.gz CEMMVIWXMXGPOR-GFCCVEGCSA-N 1 2 258.321 1.019 20 30 CDEDLO N#Cc1ccnc(C(=O)NCc2cn3c([nH+]2)CCCC3)c1 ZINC000287470643 358657508 /nfs/dbraw/zinc/65/75/08/358657508.db2.gz CENIBTRAHGOXDQ-UHFFFAOYSA-N 1 2 281.319 1.416 20 30 CDEDLO Cc1nc(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)ccc1C#N ZINC000341700082 358791909 /nfs/dbraw/zinc/79/19/09/358791909.db2.gz ZOUXIFRXRYGCGE-CQSZACIVSA-N 1 2 295.346 1.876 20 30 CDEDLO COc1ccc(CN2CCn3c[nH+]cc3C2)cc1C#N ZINC000290995942 358803939 /nfs/dbraw/zinc/80/39/39/358803939.db2.gz AJULJGLFJDUAQE-UHFFFAOYSA-N 1 2 268.320 1.779 20 30 CDEDLO C[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290402087 366490408 /nfs/dbraw/zinc/49/04/08/366490408.db2.gz SZJVSOQQPWTXRC-NSHDSACASA-N 1 2 279.365 1.211 20 30 CDEDLO C[C@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290402087 366490412 /nfs/dbraw/zinc/49/04/12/366490412.db2.gz SZJVSOQQPWTXRC-NSHDSACASA-N 1 2 279.365 1.211 20 30 CDEDLO C[NH+]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000538685477 358891233 /nfs/dbraw/zinc/89/12/33/358891233.db2.gz ZICVWIQNSNCGSZ-UHFFFAOYSA-N 1 2 263.728 1.599 20 30 CDEDLO C[C@H]1CC[N@H+](CCC(=O)N(C)CCC#N)CC1(F)F ZINC000494231856 366502463 /nfs/dbraw/zinc/50/24/63/366502463.db2.gz WAVZVZRWOAINTF-NSHDSACASA-N 1 2 273.327 1.726 20 30 CDEDLO C[C@H]1CC[N@@H+](CCC(=O)N(C)CCC#N)CC1(F)F ZINC000494231856 366502469 /nfs/dbraw/zinc/50/24/69/366502469.db2.gz WAVZVZRWOAINTF-NSHDSACASA-N 1 2 273.327 1.726 20 30 CDEDLO Cc1ncc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cn1 ZINC000345131869 359179937 /nfs/dbraw/zinc/17/99/37/359179937.db2.gz NDXQDLGPRWKTRA-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO Cn1cc[nH+]c1CNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000127816295 359393080 /nfs/dbraw/zinc/39/30/80/359393080.db2.gz LZWJAKBBNPANNY-UHFFFAOYSA-N 1 2 257.253 1.812 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1nncn1C ZINC000275174550 359531094 /nfs/dbraw/zinc/53/10/94/359531094.db2.gz LSOQNEBMZOWLDV-RYUDHWBXSA-N 1 2 279.388 1.279 20 30 CDEDLO CC1(C)C[S@@](=O)CC[N@@H+]1CCOc1ccccc1C#N ZINC000331023377 359747472 /nfs/dbraw/zinc/74/74/72/359747472.db2.gz UFYUXEHZMJEEOU-FQEVSTJZSA-N 1 2 292.404 1.780 20 30 CDEDLO CC1(C)C[S@@](=O)CC[N@H+]1CCOc1ccccc1C#N ZINC000331023377 359747474 /nfs/dbraw/zinc/74/74/74/359747474.db2.gz UFYUXEHZMJEEOU-FQEVSTJZSA-N 1 2 292.404 1.780 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000058506546 360194989 /nfs/dbraw/zinc/19/49/89/360194989.db2.gz UWDDNLUVUYQHNA-UHFFFAOYSA-N 1 2 288.347 1.095 20 30 CDEDLO C[C@@H]1CN(C(=O)C[N@H+](CCC#N)CC(C)(C)C)C[C@@H](C)O1 ZINC000112673563 360529693 /nfs/dbraw/zinc/52/96/93/360529693.db2.gz FFEZYTBEQBYGMY-ZIAGYGMSSA-N 1 2 295.427 1.884 20 30 CDEDLO C[C@@H]1CN(C(=O)C[N@@H+](CCC#N)CC(C)(C)C)C[C@@H](C)O1 ZINC000112673563 360529704 /nfs/dbraw/zinc/52/97/04/360529704.db2.gz FFEZYTBEQBYGMY-ZIAGYGMSSA-N 1 2 295.427 1.884 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCCOCC)Cc1ccc(F)cc1 ZINC000084692044 360565844 /nfs/dbraw/zinc/56/58/44/360565844.db2.gz VKJDBYOJBYJYND-UHFFFAOYSA-N 1 2 292.354 1.414 20 30 CDEDLO C#CC[N@H+](CC(=O)NCCOCC)Cc1ccc(F)cc1 ZINC000084692044 360565848 /nfs/dbraw/zinc/56/58/48/360565848.db2.gz VKJDBYOJBYJYND-UHFFFAOYSA-N 1 2 292.354 1.414 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc(C#N)c[nH]1 ZINC000178408349 189113698 /nfs/dbraw/zinc/11/36/98/189113698.db2.gz XRMVZWDEPOALLA-UHFFFAOYSA-N 1 2 257.297 1.245 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338290567 360816576 /nfs/dbraw/zinc/81/65/76/360816576.db2.gz PUZVDPGLOQGSNH-KBPBESRZSA-N 1 2 296.411 1.195 20 30 CDEDLO C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccsc1 ZINC000563219998 360898038 /nfs/dbraw/zinc/89/80/38/360898038.db2.gz DAFNRDYQMONRAX-ZWNOBZJWSA-N 1 2 265.382 1.812 20 30 CDEDLO N#CC1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCCC1 ZINC000366070515 360934185 /nfs/dbraw/zinc/93/41/85/360934185.db2.gz CBDJVAOWAJBSAB-CYBMUJFWSA-N 1 2 277.368 1.003 20 30 CDEDLO N#Cc1ccc(NCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032534086 360996985 /nfs/dbraw/zinc/99/69/85/360996985.db2.gz DYPLTISXYCSPJL-UHFFFAOYSA-N 1 2 257.253 1.775 20 30 CDEDLO Cc1csc(CN(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000131093915 361044778 /nfs/dbraw/zinc/04/47/78/361044778.db2.gz JPCVOXGCBKYSNF-UHFFFAOYSA-N 1 2 294.424 1.499 20 30 CDEDLO C[C@H]1CC[N@H+](CC(=O)NCC#N)[C@@H](c2ccco2)C1 ZINC000247703431 361167848 /nfs/dbraw/zinc/16/78/48/361167848.db2.gz YKAICJXHNYDZHR-NWDGAFQWSA-N 1 2 261.325 1.692 20 30 CDEDLO C[C@H]1CC[N@@H+](CC(=O)NCC#N)[C@@H](c2ccco2)C1 ZINC000247703431 361167853 /nfs/dbraw/zinc/16/78/53/361167853.db2.gz YKAICJXHNYDZHR-NWDGAFQWSA-N 1 2 261.325 1.692 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCOC[C@@H](C)C1 ZINC000332284026 291276722 /nfs/dbraw/zinc/27/67/22/291276722.db2.gz RTSDCBYRRKNEJA-SWLSCSKDSA-N 1 2 288.347 1.741 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCOC[C@@H](C)C1 ZINC000332284026 291276724 /nfs/dbraw/zinc/27/67/24/291276724.db2.gz RTSDCBYRRKNEJA-SWLSCSKDSA-N 1 2 288.347 1.741 20 30 CDEDLO C[C@@H]([NH2+][C@H](C)c1nncn1C)C(=O)Nc1cccc(C#N)c1 ZINC000274136209 239057088 /nfs/dbraw/zinc/05/70/88/239057088.db2.gz YXXOIBDGJOVYBO-GHMZBOCLSA-N 1 2 298.350 1.365 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1cccc(C)n1 ZINC000437901676 361695084 /nfs/dbraw/zinc/69/50/84/361695084.db2.gz WTWMIABZVGHPAA-UHFFFAOYSA-N 1 2 274.368 1.584 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1cccc(C)n1 ZINC000437901676 361695091 /nfs/dbraw/zinc/69/50/91/361695091.db2.gz WTWMIABZVGHPAA-UHFFFAOYSA-N 1 2 274.368 1.584 20 30 CDEDLO CC(C)(C)OC(=O)NC1CC[NH+](CCC#N)CC1 ZINC000103467323 363926560 /nfs/dbraw/zinc/92/65/60/363926560.db2.gz WKAZQNRXLFFUFT-UHFFFAOYSA-N 1 2 253.346 1.889 20 30 CDEDLO COc1ccc(C[NH+]2CCN(CCC#N)CC2)cc1OC ZINC000049887413 370711677 /nfs/dbraw/zinc/71/16/77/370711677.db2.gz NORSYAPKNGCOJY-UHFFFAOYSA-N 1 2 289.379 1.735 20 30 CDEDLO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH2+][C@H](C)CC#N ZINC000639724978 364530284 /nfs/dbraw/zinc/53/02/84/364530284.db2.gz FUAWYKVYQSMKEF-DOMZBBRYSA-N 1 2 287.363 1.195 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2noc(C(C)(C)C)n2)nn1 ZINC000640933120 364747160 /nfs/dbraw/zinc/74/71/60/364747160.db2.gz FLFXRWJPDMBDJZ-UHFFFAOYSA-N 1 2 288.355 1.120 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ncc(C3CC3)o2)nn1 ZINC000641068437 364925008 /nfs/dbraw/zinc/92/50/08/364925008.db2.gz DNIMQJHBFDJHQP-UHFFFAOYSA-N 1 2 271.324 1.305 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCc2ccc(F)c(F)c2)nn1 ZINC000641138951 365094418 /nfs/dbraw/zinc/09/44/18/365094418.db2.gz JWXJRXMYYDPMGL-UHFFFAOYSA-N 1 2 290.317 1.912 20 30 CDEDLO CC[C@@H](C#N)NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000171005781 365185304 /nfs/dbraw/zinc/18/53/04/365185304.db2.gz SJQMNJQHGJADMV-NSHDSACASA-N 1 2 256.309 1.763 20 30 CDEDLO Cc1ncsc1C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000526055492 365278587 /nfs/dbraw/zinc/27/85/87/365278587.db2.gz MMRQQUXHGXCWED-NSHDSACASA-N 1 2 292.408 1.834 20 30 CDEDLO Cc1ncsc1C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000526055492 365278590 /nfs/dbraw/zinc/27/85/90/365278590.db2.gz MMRQQUXHGXCWED-NSHDSACASA-N 1 2 292.408 1.834 20 30 CDEDLO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ncn(C)n1 ZINC000275679246 193102280 /nfs/dbraw/zinc/10/22/80/193102280.db2.gz ZRVILUIEIUIHRN-LLVKDONJSA-N 1 2 298.350 1.366 20 30 CDEDLO CC[N@H+](CCOC)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000270694470 366923299 /nfs/dbraw/zinc/92/32/99/366923299.db2.gz GPHILVFCBWVBQG-CQSZACIVSA-N 1 2 276.336 1.741 20 30 CDEDLO CC[N@@H+](CCOC)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000270694470 366923300 /nfs/dbraw/zinc/92/33/00/366923300.db2.gz GPHILVFCBWVBQG-CQSZACIVSA-N 1 2 276.336 1.741 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc2ncsc2c1 ZINC000567160927 370897515 /nfs/dbraw/zinc/89/75/15/370897515.db2.gz DIXGXFAJZMYSGJ-LBPRGKRZSA-N 1 2 290.392 1.915 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc2ncsc2c1 ZINC000567160927 370897524 /nfs/dbraw/zinc/89/75/24/370897524.db2.gz DIXGXFAJZMYSGJ-LBPRGKRZSA-N 1 2 290.392 1.915 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000539791127 368472364 /nfs/dbraw/zinc/47/23/64/368472364.db2.gz BNRXEQIVWUJTRZ-AWEZNQCLSA-N 1 2 268.401 1.768 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000539791127 368472368 /nfs/dbraw/zinc/47/23/68/368472368.db2.gz BNRXEQIVWUJTRZ-AWEZNQCLSA-N 1 2 268.401 1.768 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnccc2OC)C1=O ZINC000286804111 368983877 /nfs/dbraw/zinc/98/38/77/368983877.db2.gz JDRWNHRAAGPMFI-CYBMUJFWSA-N 1 2 275.352 1.309 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnccc2OC)C1=O ZINC000286804111 368983885 /nfs/dbraw/zinc/98/38/85/368983885.db2.gz JDRWNHRAAGPMFI-CYBMUJFWSA-N 1 2 275.352 1.309 20 30 CDEDLO CC#CCCNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000361635618 368951469 /nfs/dbraw/zinc/95/14/69/368951469.db2.gz FVPMMUTYQZRKHG-AWEZNQCLSA-N 1 2 273.336 1.658 20 30 CDEDLO C#CC[N@H+](Cc1ccc(F)cc1)C[C@H](C)CS(C)(=O)=O ZINC000163178942 370618943 /nfs/dbraw/zinc/61/89/43/370618943.db2.gz JBRWFFNYKPQRCK-ZDUSSCGKSA-N 1 2 297.395 1.942 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H](C)CS(C)(=O)=O ZINC000163178942 370618946 /nfs/dbraw/zinc/61/89/46/370618946.db2.gz JBRWFFNYKPQRCK-ZDUSSCGKSA-N 1 2 297.395 1.942 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC1(C(=O)OC)CCCCC1 ZINC000568182533 371208326 /nfs/dbraw/zinc/20/83/26/371208326.db2.gz SDTLVDKUQIJNAY-GFCCVEGCSA-N 1 2 295.383 1.260 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)CC2(CCC2)O1 ZINC000573486029 371559310 /nfs/dbraw/zinc/55/93/10/371559310.db2.gz XDNPHPLBIDVBNR-LBPRGKRZSA-N 1 2 277.368 1.192 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)CC2(CCC2)O1 ZINC000573486029 371559318 /nfs/dbraw/zinc/55/93/18/371559318.db2.gz XDNPHPLBIDVBNR-LBPRGKRZSA-N 1 2 277.368 1.192 20 30 CDEDLO COC(=O)CC[N@H+]1CCN(CCCCC#N)[C@@H](C)C1 ZINC000182109054 372593205 /nfs/dbraw/zinc/59/32/05/372593205.db2.gz PQEAURDXKFXPMT-ZDUSSCGKSA-N 1 2 267.373 1.249 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)NCc1ccc(C#N)cc1 ZINC000348216130 373094988 /nfs/dbraw/zinc/09/49/88/373094988.db2.gz HFYQFNPURPLLIX-UHFFFAOYSA-N 1 2 269.308 1.291 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)c1ccc(C#N)c(C)n1 ZINC000348276810 373098611 /nfs/dbraw/zinc/09/86/11/373098611.db2.gz FUJAMSILLKWJHS-UHFFFAOYSA-N 1 2 282.303 1.595 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)c1cnccc1C#N ZINC000348318824 373099779 /nfs/dbraw/zinc/09/97/79/373099779.db2.gz GBIPJXJLEHLPMN-UHFFFAOYSA-N 1 2 268.276 1.287 20 30 CDEDLO C#C[C@@H](C)[NH2+]Cc1csc(N(C(C)=O)C2CC2)n1 ZINC000289552264 197399201 /nfs/dbraw/zinc/39/92/01/197399201.db2.gz RESXDFVYQAJOTR-SECBINFHSA-N 1 2 263.366 1.770 20 30 CDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](O)C1 ZINC000298662462 373860519 /nfs/dbraw/zinc/86/05/19/373860519.db2.gz KSINSJBQXDOYNJ-GFCCVEGCSA-N 1 2 293.754 1.607 20 30 CDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000298662462 373860527 /nfs/dbraw/zinc/86/05/27/373860527.db2.gz KSINSJBQXDOYNJ-GFCCVEGCSA-N 1 2 293.754 1.607 20 30 CDEDLO CN(Cc1cccc(C#N)c1)C(=O)CCn1cc[nH+]c1 ZINC000299586468 373916894 /nfs/dbraw/zinc/91/68/94/373916894.db2.gz JZWXUDGVYQOEBT-UHFFFAOYSA-N 1 2 268.320 1.803 20 30 CDEDLO COC(=O)c1oc(C[NH+]2CCN(CC#N)CC2)cc1C ZINC000072517565 374061142 /nfs/dbraw/zinc/06/11/42/374061142.db2.gz OFZNNHFHLJPTAX-UHFFFAOYSA-N 1 2 277.324 1.016 20 30 CDEDLO C[N@H+](CCO)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075622324 374192348 /nfs/dbraw/zinc/19/23/48/374192348.db2.gz AYBUAIIXYBJVLP-UHFFFAOYSA-N 1 2 258.281 1.032 20 30 CDEDLO C[N@@H+](CCO)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075622324 374192356 /nfs/dbraw/zinc/19/23/56/374192356.db2.gz AYBUAIIXYBJVLP-UHFFFAOYSA-N 1 2 258.281 1.032 20 30 CDEDLO CC#CCCN1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000640111208 374206085 /nfs/dbraw/zinc/20/60/85/374206085.db2.gz UIJQERZZWMZJNL-UHFFFAOYSA-N 1 2 258.365 1.923 20 30 CDEDLO N#Cc1ccc(OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(F)c1 ZINC000418918883 374269920 /nfs/dbraw/zinc/26/99/20/374269920.db2.gz VXLRYBLECNNTND-BETUJISGSA-N 1 2 276.311 1.939 20 30 CDEDLO N#Cc1ccc(OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(F)c1 ZINC000418918883 374269931 /nfs/dbraw/zinc/26/99/31/374269931.db2.gz VXLRYBLECNNTND-BETUJISGSA-N 1 2 276.311 1.939 20 30 CDEDLO N#Cc1cccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000370417073 374392392 /nfs/dbraw/zinc/39/23/92/374392392.db2.gz WPGNAAFLDIMMKK-OAHLLOKOSA-N 1 2 285.347 1.105 20 30 CDEDLO C[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC(C)(C)O1 ZINC000115537467 374412599 /nfs/dbraw/zinc/41/25/99/374412599.db2.gz JISBRRMQKRZALR-RISCZKNCSA-N 1 2 287.363 1.584 20 30 CDEDLO C[C@@H]1C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC(C)(C)O1 ZINC000115537467 374412601 /nfs/dbraw/zinc/41/26/01/374412601.db2.gz JISBRRMQKRZALR-RISCZKNCSA-N 1 2 287.363 1.584 20 30 CDEDLO CCN1CCN(c2nc(C)cc(C#N)n2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000376462896 374558648 /nfs/dbraw/zinc/55/86/48/374558648.db2.gz QVCJNZBEQHJVOW-CYBMUJFWSA-N 1 2 297.366 1.263 20 30 CDEDLO C=Cn1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cn1 ZINC000278326263 374838312 /nfs/dbraw/zinc/83/83/12/374838312.db2.gz YUHMTXJNOABDFH-UHFFFAOYSA-N 1 2 294.362 1.572 20 30 CDEDLO C[C@H]1C[NH+](CCOc2ccccc2C#N)C[C@H](C)S1=O ZINC000331187329 374904420 /nfs/dbraw/zinc/90/44/20/374904420.db2.gz VDDDYRRHWZCVOL-STQMWFEESA-N 1 2 292.404 1.778 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccccc1C#N)CCO2 ZINC000280609470 375007028 /nfs/dbraw/zinc/00/70/28/375007028.db2.gz XOPJBCHIYOTMJC-BBRMVZONSA-N 1 2 272.348 1.938 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccccc1C#N)CCO2 ZINC000280609470 375007032 /nfs/dbraw/zinc/00/70/32/375007032.db2.gz XOPJBCHIYOTMJC-BBRMVZONSA-N 1 2 272.348 1.938 20 30 CDEDLO Cc1cc(N2CC[C@H](NC(=O)NC3CC3)C2)c(C#N)c[nH+]1 ZINC000333537675 375089003 /nfs/dbraw/zinc/08/90/03/375089003.db2.gz ZHIODIIKFABYJS-ZDUSSCGKSA-N 1 2 285.351 1.302 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000281958550 375060459 /nfs/dbraw/zinc/06/04/59/375060459.db2.gz XNVRNFMOHWLQOO-UHFFFAOYSA-N 1 2 296.330 1.817 20 30 CDEDLO CC[C@@H]1C[NH+](CC(=O)N[C@](C)(C#N)C2CC2)C[C@@H](CC)O1 ZINC000420956594 376508371 /nfs/dbraw/zinc/50/83/71/376508371.db2.gz YNWFIZKGQPIPAH-IIAWOOMASA-N 1 2 293.411 1.684 20 30 CDEDLO N#Cc1csc(C[NH+]2CCN(c3cccnn3)CC2)c1 ZINC000128001013 377167623 /nfs/dbraw/zinc/16/76/23/377167623.db2.gz LHWYSGFMXRSIGM-UHFFFAOYSA-N 1 2 285.376 1.732 20 30 CDEDLO Cc1nc(C(=O)NCCCNc2cccc[nH+]2)ccc1C#N ZINC000172113774 377280855 /nfs/dbraw/zinc/28/08/55/377280855.db2.gz XTAXTRYBYONMLG-UHFFFAOYSA-N 1 2 295.346 1.889 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](OCCO)C1 ZINC000172296579 377431954 /nfs/dbraw/zinc/43/19/54/377431954.db2.gz IXZSPOTYWQCAAO-HNNXBMFYSA-N 1 2 278.327 1.671 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000172296579 377431959 /nfs/dbraw/zinc/43/19/59/377431959.db2.gz IXZSPOTYWQCAAO-HNNXBMFYSA-N 1 2 278.327 1.671 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000280594591 377967612 /nfs/dbraw/zinc/96/76/12/377967612.db2.gz OIXROOBOSSQWDF-MCIONIFRSA-N 1 2 292.383 1.552 20 30 CDEDLO C#C[C@@H](NC(=O)NCCc1cn2ccccc2[nH+]1)C(C)C ZINC000282286708 378045083 /nfs/dbraw/zinc/04/50/83/378045083.db2.gz QWJAUVJQYRTONY-CQSZACIVSA-N 1 2 284.363 1.834 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C)CC1 ZINC000282583822 378051878 /nfs/dbraw/zinc/05/18/78/378051878.db2.gz WRGIEAKLABJAID-GFCCVEGCSA-N 1 2 261.373 1.084 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccccc1OCCOC ZINC000093475555 378078886 /nfs/dbraw/zinc/07/88/86/378078886.db2.gz WVQJIFZERHXXQB-UHFFFAOYSA-N 1 2 257.333 1.780 20 30 CDEDLO C#CC[N@H+](C)CCCNC(=O)c1cc(F)c(O)c(F)c1 ZINC000293921173 378604436 /nfs/dbraw/zinc/60/44/36/378604436.db2.gz GXCWWWKHLVUVAL-UHFFFAOYSA-N 1 2 282.290 1.355 20 30 CDEDLO C#CC[N@@H+](C)CCCNC(=O)c1cc(F)c(O)c(F)c1 ZINC000293921173 378604442 /nfs/dbraw/zinc/60/44/42/378604442.db2.gz GXCWWWKHLVUVAL-UHFFFAOYSA-N 1 2 282.290 1.355 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+](C1CC1)C1COC1 ZINC000295545243 378685128 /nfs/dbraw/zinc/68/51/28/378685128.db2.gz WPQSWYLQQZURIX-UHFFFAOYSA-N 1 2 250.342 1.050 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+](C1CC1)C1COC1 ZINC000295545243 378685132 /nfs/dbraw/zinc/68/51/32/378685132.db2.gz WPQSWYLQQZURIX-UHFFFAOYSA-N 1 2 250.342 1.050 20 30 CDEDLO C#CC(C)(C)[N@H+](C)Cc1cccc(S(C)(=O)=O)c1 ZINC000295958547 378702808 /nfs/dbraw/zinc/70/28/08/378702808.db2.gz JGZCPOMSGLDAEE-UHFFFAOYSA-N 1 2 265.378 1.934 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)Cc1cccc(S(C)(=O)=O)c1 ZINC000295958547 378702811 /nfs/dbraw/zinc/70/28/11/378702811.db2.gz JGZCPOMSGLDAEE-UHFFFAOYSA-N 1 2 265.378 1.934 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N(C)c1cccc(F)c1C#N ZINC000278818446 194167010 /nfs/dbraw/zinc/16/70/10/194167010.db2.gz IXCOLDOPRQVOSX-GFCCVEGCSA-N 1 2 277.343 1.854 20 30 CDEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccncc3F)CC2)c1 ZINC000449008907 250653162 /nfs/dbraw/zinc/65/31/62/250653162.db2.gz LKQFCUKTWQGOEV-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO C#C[C@H](NC(=O)N1CC[NH+](Cc2ccco2)CC1)C(C)C ZINC000280992429 195060755 /nfs/dbraw/zinc/06/07/55/195060755.db2.gz CONTXSUIUAHMEW-HNNXBMFYSA-N 1 2 289.379 1.765 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)/C=C/c1ccc(C#N)cc1 ZINC000492713087 253278557 /nfs/dbraw/zinc/27/85/57/253278557.db2.gz VYFLDPLRGJXKOH-VOTSOKGWSA-N 1 2 280.331 1.664 20 30 CDEDLO C#CC(C)(C)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289165340 197250522 /nfs/dbraw/zinc/25/05/22/197250522.db2.gz DXDGZXTZCPZYCL-UHFFFAOYSA-N 1 2 291.376 1.071 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289165340 197250523 /nfs/dbraw/zinc/25/05/23/197250523.db2.gz DXDGZXTZCPZYCL-UHFFFAOYSA-N 1 2 291.376 1.071 20 30 CDEDLO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2nnc3ccccn32)C1=O ZINC000281294446 195185100 /nfs/dbraw/zinc/18/51/00/195185100.db2.gz JKENWNAFBLBLFG-NWDGAFQWSA-N 1 2 285.351 1.167 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCNC(=O)[C@@]1(C)CCC ZINC000187304753 390183397 /nfs/dbraw/zinc/18/33/97/390183397.db2.gz QVTIFELKJXOBNX-MRXNPFEDSA-N 1 2 295.427 1.402 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCNC(=O)[C@@]1(C)CCC ZINC000187304753 390183400 /nfs/dbraw/zinc/18/34/00/390183400.db2.gz QVTIFELKJXOBNX-MRXNPFEDSA-N 1 2 295.427 1.402 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000219525427 390210100 /nfs/dbraw/zinc/21/01/00/390210100.db2.gz WBDIBGSQVRRABR-ZDUSSCGKSA-N 1 2 275.327 1.798 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1F ZINC000219525427 390210101 /nfs/dbraw/zinc/21/01/01/390210101.db2.gz WBDIBGSQVRRABR-ZDUSSCGKSA-N 1 2 275.327 1.798 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1c(F)cc(C#N)cc1F ZINC000336848830 390211904 /nfs/dbraw/zinc/21/19/04/390211904.db2.gz NGVIKTMGQARIFT-VIFPVBQESA-N 1 2 290.273 1.851 20 30 CDEDLO C[C@](C#N)(NC(=O)C[NH+]1Cc2ccccc2C1)C1CC1 ZINC000106305482 390537818 /nfs/dbraw/zinc/53/78/18/390537818.db2.gz TXGZUJPMATWQSK-MRXNPFEDSA-N 1 2 269.348 1.811 20 30 CDEDLO C[C@@H]1CN(C(=O)c2sccc2C#N)[C@@H](C)C[N@@H+]1C ZINC000334355199 390565935 /nfs/dbraw/zinc/56/59/35/390565935.db2.gz AHMOVWKVANOZKK-ZJUUUORDSA-N 1 2 263.366 1.784 20 30 CDEDLO C[C@@H]1CN(C(=O)c2sccc2C#N)[C@@H](C)C[N@H+]1C ZINC000334355199 390565937 /nfs/dbraw/zinc/56/59/37/390565937.db2.gz AHMOVWKVANOZKK-ZJUUUORDSA-N 1 2 263.366 1.784 20 30 CDEDLO NC(CCO)=[NH+]OCc1ccccc1C(F)(F)F ZINC000136073357 390940905 /nfs/dbraw/zinc/94/09/05/390940905.db2.gz RGHVIOKFCPWZHG-UHFFFAOYSA-N 1 2 262.231 1.877 20 30 CDEDLO CC[C@@H](C)c1ccc(NC(=O)CO[NH+]=C(N)CCO)cc1 ZINC000136063793 390940926 /nfs/dbraw/zinc/94/09/26/390940926.db2.gz XRQUFFUUGSOLEN-LLVKDONJSA-N 1 2 293.367 1.810 20 30 CDEDLO COC(=O)c1cc(CO[NH+]=C(N)CCO)c(C)s1 ZINC000136069448 390941031 /nfs/dbraw/zinc/94/10/31/390941031.db2.gz NMKLGFLJELYKDS-UHFFFAOYSA-N 1 2 272.326 1.014 20 30 CDEDLO C=CCOCC[N@@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000339216963 390952155 /nfs/dbraw/zinc/95/21/55/390952155.db2.gz LSKNREBRLJGMHN-UHFFFAOYSA-N 1 2 284.363 1.828 20 30 CDEDLO C=CCOCC[N@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000339216963 390952156 /nfs/dbraw/zinc/95/21/56/390952156.db2.gz LSKNREBRLJGMHN-UHFFFAOYSA-N 1 2 284.363 1.828 20 30 CDEDLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)O[NH+]=C(N)CCO ZINC000121335661 390884124 /nfs/dbraw/zinc/88/41/24/390884124.db2.gz IUBOCQRKTRKSEJ-VIFPVBQESA-N 1 2 299.758 1.647 20 30 CDEDLO N#CCN1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000092936197 390897868 /nfs/dbraw/zinc/89/78/68/390897868.db2.gz MDCRXYUYXOEKHY-UHFFFAOYSA-N 1 2 259.309 1.056 20 30 CDEDLO COc1cc(C[NH+]2CCN(CC#N)CC2)cc2c1OCO2 ZINC000092936066 390898062 /nfs/dbraw/zinc/89/80/62/390898062.db2.gz IWQJJMLFSYMUBO-UHFFFAOYSA-N 1 2 289.335 1.065 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000448918740 390914254 /nfs/dbraw/zinc/91/42/54/390914254.db2.gz VDQJAHLFECNSSU-NEPJUHHUSA-N 1 2 254.374 1.424 20 30 CDEDLO COC(=O)c1cccc(OCC(N)=[NH+]OCC2CC2)c1 ZINC000124397651 390914667 /nfs/dbraw/zinc/91/46/67/390914667.db2.gz OIGZGIRCSYPRCN-UHFFFAOYSA-N 1 2 278.308 1.551 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2cc(C#N)cs2)C[C@H](C)O1 ZINC000188353271 390957208 /nfs/dbraw/zinc/95/72/08/390957208.db2.gz OYDZYFILTUHFED-CMPLNLGQSA-N 1 2 266.366 1.855 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2cc(C#N)cs2)C[C@H](C)O1 ZINC000188353271 390957209 /nfs/dbraw/zinc/95/72/09/390957209.db2.gz OYDZYFILTUHFED-CMPLNLGQSA-N 1 2 266.366 1.855 20 30 CDEDLO Cc1[nH+]ccn1CC[NH+]=C([O-])N1CCOCC2(CC2)C1 ZINC000329485678 390996527 /nfs/dbraw/zinc/99/65/27/390996527.db2.gz XDVOGPLKLTWLBF-UHFFFAOYSA-N 1 2 278.356 1.218 20 30 CDEDLO Cc1noc(C)c1C[NH+]=C([O-])N1CCn2c[nH+]cc2C1 ZINC000329547047 391011526 /nfs/dbraw/zinc/01/15/26/391011526.db2.gz HIWDPXVVDNVFRG-UHFFFAOYSA-N 1 2 275.312 1.418 20 30 CDEDLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000185123995 391038346 /nfs/dbraw/zinc/03/83/46/391038346.db2.gz AKBFWVWAXMPPLX-FKIZINRSSA-N 1 2 299.440 1.028 20 30 CDEDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000185123995 391038348 /nfs/dbraw/zinc/03/83/48/391038348.db2.gz AKBFWVWAXMPPLX-FKIZINRSSA-N 1 2 299.440 1.028 20 30 CDEDLO CC[C@@H](C)NC(=O)CO[NH+]=C(N)c1cccc(OC)c1 ZINC000174211932 391118895 /nfs/dbraw/zinc/11/88/95/391118895.db2.gz ANKUWHHNGJOCGV-SNVBAGLBSA-N 1 2 279.340 1.247 20 30 CDEDLO C=CCC(C)(C)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000352469209 391149462 /nfs/dbraw/zinc/14/94/62/391149462.db2.gz CACJJNUIVJRKDM-UHFFFAOYSA-N 1 2 268.401 1.816 20 30 CDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000265667562 391160661 /nfs/dbraw/zinc/16/06/61/391160661.db2.gz YUVFFCNSNRIBFC-UVARLRKDSA-N 1 2 292.404 1.930 20 30 CDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000265667562 391160662 /nfs/dbraw/zinc/16/06/62/391160662.db2.gz YUVFFCNSNRIBFC-UVARLRKDSA-N 1 2 292.404 1.930 20 30 CDEDLO N#C[C@@H]1COCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000266112495 391169363 /nfs/dbraw/zinc/16/93/63/391169363.db2.gz TXEHTQUIDTXQBC-OAHLLOKOSA-N 1 2 296.330 1.296 20 30 CDEDLO CC(C)N1CC[C@H](O[NH+]=C(N)c2cccc(Cl)c2)C1=O ZINC000177546182 391171606 /nfs/dbraw/zinc/17/16/06/391171606.db2.gz KYHPQAAGHBERIA-LBPRGKRZSA-N 1 2 295.770 1.986 20 30 CDEDLO COC[C@](C)(C#N)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000269647003 391253596 /nfs/dbraw/zinc/25/35/96/391253596.db2.gz YZBLJASGOOHLDM-INIZCTEOSA-N 1 2 298.346 1.590 20 30 CDEDLO C=CCOCC[N@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000339098736 391253895 /nfs/dbraw/zinc/25/38/95/391253895.db2.gz FXZXVEHAJSRSPG-CYBMUJFWSA-N 1 2 254.374 1.378 20 30 CDEDLO C=CCOCC[N@@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000339098736 391253898 /nfs/dbraw/zinc/25/38/98/391253898.db2.gz FXZXVEHAJSRSPG-CYBMUJFWSA-N 1 2 254.374 1.378 20 30 CDEDLO CC(C)SCC[N@H+](CCC#N)CCN1CCOCC1 ZINC000338314511 391195648 /nfs/dbraw/zinc/19/56/48/391195648.db2.gz LNYDEVIJATWDQY-UHFFFAOYSA-N 1 2 285.457 1.676 20 30 CDEDLO CC(C)SCC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000338314511 391195650 /nfs/dbraw/zinc/19/56/50/391195650.db2.gz LNYDEVIJATWDQY-UHFFFAOYSA-N 1 2 285.457 1.676 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000270172980 391267023 /nfs/dbraw/zinc/26/70/23/391267023.db2.gz KJDGZSXAGWIWSW-JTQLQIEISA-N 1 2 289.301 1.941 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000270172980 391267028 /nfs/dbraw/zinc/26/70/28/391267028.db2.gz KJDGZSXAGWIWSW-JTQLQIEISA-N 1 2 289.301 1.941 20 30 CDEDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000270913626 391283101 /nfs/dbraw/zinc/28/31/01/391283101.db2.gz TXLSBDMBOUWJGH-OAHLLOKOSA-N 1 2 287.363 1.689 20 30 CDEDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000270913626 391283103 /nfs/dbraw/zinc/28/31/03/391283103.db2.gz TXLSBDMBOUWJGH-OAHLLOKOSA-N 1 2 287.363 1.689 20 30 CDEDLO Cc1occc1C[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000345758589 391310670 /nfs/dbraw/zinc/31/06/70/391310670.db2.gz CRFLCEQDIABWMR-LLVKDONJSA-N 1 2 275.352 1.971 20 30 CDEDLO Cc1occc1C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000345758589 391310672 /nfs/dbraw/zinc/31/06/72/391310672.db2.gz CRFLCEQDIABWMR-LLVKDONJSA-N 1 2 275.352 1.971 20 30 CDEDLO CC#CC[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000339756059 391349483 /nfs/dbraw/zinc/34/94/83/391349483.db2.gz JUUABAXEUCRVGI-AWEZNQCLSA-N 1 2 287.319 1.655 20 30 CDEDLO CC#CC[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000339756059 391349487 /nfs/dbraw/zinc/34/94/87/391349487.db2.gz JUUABAXEUCRVGI-AWEZNQCLSA-N 1 2 287.319 1.655 20 30 CDEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CC(=O)NCC1CC1 ZINC000328973953 391401248 /nfs/dbraw/zinc/40/12/48/391401248.db2.gz PMKSLILXRDFZKV-QLFBSQMISA-N 1 2 296.411 1.869 20 30 CDEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1CC(=O)NCC1CC1 ZINC000328973953 391401253 /nfs/dbraw/zinc/40/12/53/391401253.db2.gz PMKSLILXRDFZKV-QLFBSQMISA-N 1 2 296.411 1.869 20 30 CDEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CCO1 ZINC000330431880 391423013 /nfs/dbraw/zinc/42/30/13/391423013.db2.gz JKHWXCSTWFCNPJ-NFAWXSAZSA-N 1 2 281.400 1.540 20 30 CDEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CCO1 ZINC000330431880 391423018 /nfs/dbraw/zinc/42/30/18/391423018.db2.gz JKHWXCSTWFCNPJ-NFAWXSAZSA-N 1 2 281.400 1.540 20 30 CDEDLO CSc1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000411306641 391428525 /nfs/dbraw/zinc/42/85/25/391428525.db2.gz GBCSLRLOLJJRSH-LBPRGKRZSA-N 1 2 280.393 1.994 20 30 CDEDLO CSc1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000411306641 391428526 /nfs/dbraw/zinc/42/85/26/391428526.db2.gz GBCSLRLOLJJRSH-LBPRGKRZSA-N 1 2 280.393 1.994 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1cnn(C)c1 ZINC000330405259 391416615 /nfs/dbraw/zinc/41/66/15/391416615.db2.gz NBYSEHQHAJEYNR-WFASDCNBSA-N 1 2 291.399 1.295 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1cnn(C)c1 ZINC000330405259 391416619 /nfs/dbraw/zinc/41/66/19/391416619.db2.gz NBYSEHQHAJEYNR-WFASDCNBSA-N 1 2 291.399 1.295 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)N1CCCCCC1 ZINC000042324474 391566103 /nfs/dbraw/zinc/56/61/03/391566103.db2.gz KIUGGINHVBVYTD-OLZOCXBDSA-N 1 2 251.374 1.869 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)N1CCCCCC1 ZINC000042324474 391566107 /nfs/dbraw/zinc/56/61/07/391566107.db2.gz KIUGGINHVBVYTD-OLZOCXBDSA-N 1 2 251.374 1.869 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000412378403 391617942 /nfs/dbraw/zinc/61/79/42/391617942.db2.gz ZQNQULFFBOYXHD-ZIAGYGMSSA-N 1 2 296.411 1.590 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000412378403 391617944 /nfs/dbraw/zinc/61/79/44/391617944.db2.gz ZQNQULFFBOYXHD-ZIAGYGMSSA-N 1 2 296.411 1.590 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H]1CCO[C@@H](C(C)C)C1)C(=O)OC ZINC000361106712 391681466 /nfs/dbraw/zinc/68/14/66/391681466.db2.gz GIJGPVCHRDAVMN-MELADBBJSA-N 1 2 285.384 1.524 20 30 CDEDLO COc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc1Cl ZINC000519739754 391696612 /nfs/dbraw/zinc/69/66/12/391696612.db2.gz SXNKLUBMBIDVJI-AWEZNQCLSA-N 1 2 295.770 1.922 20 30 CDEDLO CC#CCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000135926945 391740836 /nfs/dbraw/zinc/74/08/36/391740836.db2.gz KPQARISKHGZZOK-CYBMUJFWSA-N 1 2 259.309 1.268 20 30 CDEDLO CN(C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCSC1 ZINC000329736855 391765611 /nfs/dbraw/zinc/76/56/11/391765611.db2.gz LRVAVOJPYHFGEM-NXEZZACHSA-N 1 2 280.397 1.618 20 30 CDEDLO CN(C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCSC1 ZINC000329736855 391765613 /nfs/dbraw/zinc/76/56/13/391765613.db2.gz LRVAVOJPYHFGEM-NXEZZACHSA-N 1 2 280.397 1.618 20 30 CDEDLO Cn1cc(CN2CC[NH+](Cc3ccccn3)CC2)cc1C#N ZINC000191197076 130200484 /nfs/dbraw/zinc/20/04/84/130200484.db2.gz NDUBYXJITUVKSN-UHFFFAOYSA-N 1 2 295.390 1.610 20 30 CDEDLO Cn1cc(C[NH+]2CCN(Cc3ccccn3)CC2)cc1C#N ZINC000191197076 130200486 /nfs/dbraw/zinc/20/04/86/130200486.db2.gz NDUBYXJITUVKSN-UHFFFAOYSA-N 1 2 295.390 1.610 20 30 CDEDLO CCc1csc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000329945276 391804417 /nfs/dbraw/zinc/80/44/17/391804417.db2.gz XEYPIBJJMHQIOV-QWRGUYRKSA-N 1 2 296.396 1.266 20 30 CDEDLO CCc1csc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000329945276 391804419 /nfs/dbraw/zinc/80/44/19/391804419.db2.gz XEYPIBJJMHQIOV-QWRGUYRKSA-N 1 2 296.396 1.266 20 30 CDEDLO O=C(NCC1([NH+]2CCOCC2)CC1)[C@H]1CCCOC1 ZINC000329871813 391792070 /nfs/dbraw/zinc/79/20/70/391792070.db2.gz BATYBZVVHJHURE-LBPRGKRZSA-N 1 2 268.357 1.234 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC(=O)c3cccn32)C1 ZINC000329877033 391793321 /nfs/dbraw/zinc/79/33/21/391793321.db2.gz ISEXMAQUJZVNJE-YPMHNXCESA-N 1 2 291.351 1.293 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC(=O)c3cccn32)C1 ZINC000329877033 391793322 /nfs/dbraw/zinc/79/33/22/391793322.db2.gz ISEXMAQUJZVNJE-YPMHNXCESA-N 1 2 291.351 1.293 20 30 CDEDLO CC(C)[C@@H]1OCC[C@@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000329901157 391797001 /nfs/dbraw/zinc/79/70/01/391797001.db2.gz GQRFMYYHEAKVHQ-KBPBESRZSA-N 1 2 296.411 1.869 20 30 CDEDLO CC(C)(CNC(=O)c1csc(=O)[nH]1)[NH+]1CCOCC1 ZINC000329921781 391799424 /nfs/dbraw/zinc/79/94/24/391799424.db2.gz FXVASEWEEWTFAR-UHFFFAOYSA-N 1 2 285.369 1.264 20 30 CDEDLO C[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)CC[S@@]1=O ZINC000334248356 392041139 /nfs/dbraw/zinc/04/11/39/392041139.db2.gz PKLTVCWXEBIBHT-SGTLLEGYSA-N 1 2 262.378 1.705 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CC[S@@]1=O ZINC000334248356 392041145 /nfs/dbraw/zinc/04/11/45/392041145.db2.gz PKLTVCWXEBIBHT-SGTLLEGYSA-N 1 2 262.378 1.705 20 30 CDEDLO C=CCCOCCCCC(=O)NCc1[nH]cc[nH+]1 ZINC000342882365 392050980 /nfs/dbraw/zinc/05/09/80/392050980.db2.gz LVWDANKFVWQYHJ-UHFFFAOYSA-N 1 2 251.330 1.789 20 30 CDEDLO CC(=O)N1CC[N@H+](Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000271188176 392533927 /nfs/dbraw/zinc/53/39/27/392533927.db2.gz OBOXMRATBCRSIX-JTQLQIEISA-N 1 2 263.366 1.672 20 30 CDEDLO CC(=O)N1CC[N@@H+](Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000271188176 392533934 /nfs/dbraw/zinc/53/39/34/392533934.db2.gz OBOXMRATBCRSIX-JTQLQIEISA-N 1 2 263.366 1.672 20 30 CDEDLO Cc1cc(C)c(NC(=O)c2cnn(C)c2C#N)c(C)[nH+]1 ZINC000361530641 392760029 /nfs/dbraw/zinc/76/00/29/392760029.db2.gz ZSRUBZMGESXRFJ-UHFFFAOYSA-N 1 2 269.308 1.864 20 30 CDEDLO CC[N@H+](Cc1cc(C#N)n(C)c1)Cc1cn(C)nn1 ZINC000361587905 392761277 /nfs/dbraw/zinc/76/12/77/392761277.db2.gz QHNPDWFNDGUPMI-UHFFFAOYSA-N 1 2 258.329 1.047 20 30 CDEDLO CC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1cn(C)nn1 ZINC000361587905 392761280 /nfs/dbraw/zinc/76/12/80/392761280.db2.gz QHNPDWFNDGUPMI-UHFFFAOYSA-N 1 2 258.329 1.047 20 30 CDEDLO CC[N@H+](CCO)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000269390857 132164492 /nfs/dbraw/zinc/16/44/92/132164492.db2.gz AEODHTKDUHMAEC-CYBMUJFWSA-N 1 2 262.309 1.087 20 30 CDEDLO CC[N@@H+](CCO)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000269390857 132164494 /nfs/dbraw/zinc/16/44/94/132164494.db2.gz AEODHTKDUHMAEC-CYBMUJFWSA-N 1 2 262.309 1.087 20 30 CDEDLO CC#CC[C@H](CO)NC(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000649183134 392955510 /nfs/dbraw/zinc/95/55/10/392955510.db2.gz MNJHEXWNMBBSQX-CYBMUJFWSA-N 1 2 299.374 1.489 20 30 CDEDLO C=CCCOCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649215494 393051668 /nfs/dbraw/zinc/05/16/68/393051668.db2.gz ZWNLTJPMUZYWSU-GFCCVEGCSA-N 1 2 263.341 1.154 20 30 CDEDLO C=CCn1cc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)nn1 ZINC000648768113 393310354 /nfs/dbraw/zinc/31/03/54/393310354.db2.gz QCBXWLPQLFXFBT-LBPRGKRZSA-N 1 2 286.339 1.138 20 30 CDEDLO C=CCn1cc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)nn1 ZINC000648768112 393310750 /nfs/dbraw/zinc/31/07/50/393310750.db2.gz QCBXWLPQLFXFBT-GFCCVEGCSA-N 1 2 286.339 1.138 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)cc1 ZINC000042375625 393435565 /nfs/dbraw/zinc/43/55/65/393435565.db2.gz KTAHLTARJUCGAS-NSHDSACASA-N 1 2 254.293 1.573 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000189271629 140111428 /nfs/dbraw/zinc/11/14/28/140111428.db2.gz LHZUVQVGGUOPED-NSHDSACASA-N 1 2 273.336 1.277 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000189271629 140111429 /nfs/dbraw/zinc/11/14/29/140111429.db2.gz LHZUVQVGGUOPED-NSHDSACASA-N 1 2 273.336 1.277 20 30 CDEDLO O=C(Nc1ccn2cc[nH+]c2c1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000329782837 296535436 /nfs/dbraw/zinc/53/54/36/296535436.db2.gz OBPUKUMCLIIWRF-WCFLWFBJSA-N 1 2 286.335 1.583 20 30 CDEDLO Cc1nc(C(=O)NCc2ccn3cc[nH+]c3c2)ccc1C#N ZINC000178358117 148053884 /nfs/dbraw/zinc/05/38/84/148053884.db2.gz NGFDAMFKNIXUAA-UHFFFAOYSA-N 1 2 291.314 1.839 20 30 CDEDLO C[C@]1(F)CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000335799060 151029297 /nfs/dbraw/zinc/02/92/97/151029297.db2.gz WTOPBFFEJNQUQB-AWEZNQCLSA-N 1 2 261.300 1.931 20 30 CDEDLO C[C@]1(F)CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000335799060 151029299 /nfs/dbraw/zinc/02/92/99/151029299.db2.gz WTOPBFFEJNQUQB-AWEZNQCLSA-N 1 2 261.300 1.931 20 30 CDEDLO Cc1ccc(C#N)cc1NC(=O)NCc1c[nH+]cn1C ZINC000336004439 151189238 /nfs/dbraw/zinc/18/92/38/151189238.db2.gz LGWDULVUIRWQEV-UHFFFAOYSA-N 1 2 269.308 1.922 20 30 CDEDLO COc1ccc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)cc1C#N ZINC000135147420 286304386 /nfs/dbraw/zinc/30/43/86/286304386.db2.gz MQKMEQUESPZKOV-GJZGRUSLSA-N 1 2 299.374 1.810 20 30 CDEDLO COc1ccc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)cc1C#N ZINC000135147420 286304389 /nfs/dbraw/zinc/30/43/89/286304389.db2.gz MQKMEQUESPZKOV-GJZGRUSLSA-N 1 2 299.374 1.810 20 30 CDEDLO C[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000343992272 152382017 /nfs/dbraw/zinc/38/20/17/152382017.db2.gz URDXTYOGJLROPX-GFCCVEGCSA-N 1 2 293.392 1.459 20 30 CDEDLO C[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000343992272 152382018 /nfs/dbraw/zinc/38/20/18/152382018.db2.gz URDXTYOGJLROPX-GFCCVEGCSA-N 1 2 293.392 1.459 20 30 CDEDLO Cc1ccc2[nH+]cc(CNc3n[nH]cc3C#N)n2c1 ZINC000346672828 153265995 /nfs/dbraw/zinc/26/59/95/153265995.db2.gz ZKYYIAAAWXRREE-UHFFFAOYSA-N 1 2 252.281 1.272 20 30 CDEDLO C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccon1 ZINC000349245509 154074810 /nfs/dbraw/zinc/07/48/10/154074810.db2.gz RPHWNPGOPHDUFA-NSHDSACASA-N 1 2 284.319 1.513 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1cccc(C#N)c1 ZINC000355499953 157084629 /nfs/dbraw/zinc/08/46/29/157084629.db2.gz PHTROFOYURLKOC-GFCCVEGCSA-N 1 2 288.351 1.400 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1cccc(C#N)c1 ZINC000355499953 157084633 /nfs/dbraw/zinc/08/46/33/157084633.db2.gz PHTROFOYURLKOC-GFCCVEGCSA-N 1 2 288.351 1.400 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000362475210 159157000 /nfs/dbraw/zinc/15/70/00/159157000.db2.gz XIFXBWIBCVPLRB-ZDUSSCGKSA-N 1 2 287.319 1.203 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000362475210 159157003 /nfs/dbraw/zinc/15/70/03/159157003.db2.gz XIFXBWIBCVPLRB-ZDUSSCGKSA-N 1 2 287.319 1.203 20 30 CDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCOCC23CCC3)cc1 ZINC000372176693 160088701 /nfs/dbraw/zinc/08/87/01/160088701.db2.gz VMJYTFDBVFXPGW-UHFFFAOYSA-N 1 2 299.374 1.429 20 30 CDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCOCC23CCC3)cc1 ZINC000372176693 160088703 /nfs/dbraw/zinc/08/87/03/160088703.db2.gz VMJYTFDBVFXPGW-UHFFFAOYSA-N 1 2 299.374 1.429 20 30 CDEDLO C=CCOc1ccccc1C(=O)N1CC[NH+](CCO)CC1 ZINC000035200285 172045061 /nfs/dbraw/zinc/04/50/61/172045061.db2.gz XUWHVBPAGFUIFO-UHFFFAOYSA-N 1 2 290.363 1.002 20 30 CDEDLO C=CC[N@H+](CC(=O)Nc1c(C)nn(C)c1C)[C@@H](C)COC ZINC000661246991 413916224 /nfs/dbraw/zinc/91/62/24/413916224.db2.gz LREPJFHTQGKGCI-NSHDSACASA-N 1 2 294.399 1.498 20 30 CDEDLO C=CC[N@@H+](CC(=O)Nc1c(C)nn(C)c1C)[C@@H](C)COC ZINC000661246991 413916232 /nfs/dbraw/zinc/91/62/32/413916232.db2.gz LREPJFHTQGKGCI-NSHDSACASA-N 1 2 294.399 1.498 20 30 CDEDLO Cc1noc([C@@H]2C[N@@H+](Cc3ccccc3C#N)CCN2C)n1 ZINC000285549094 196322985 /nfs/dbraw/zinc/32/29/85/196322985.db2.gz QMWWBRVGZVUMLD-HNNXBMFYSA-N 1 2 297.362 1.738 20 30 CDEDLO Cc1noc([C@@H]2C[N@H+](Cc3ccccc3C#N)CCN2C)n1 ZINC000285549094 196322987 /nfs/dbraw/zinc/32/29/87/196322987.db2.gz QMWWBRVGZVUMLD-HNNXBMFYSA-N 1 2 297.362 1.738 20 30 CDEDLO CC[C@H](CC#N)[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000071336034 176127273 /nfs/dbraw/zinc/12/72/73/176127273.db2.gz YTVHQWWOQBPGJB-SNVBAGLBSA-N 1 2 253.346 1.888 20 30 CDEDLO C[C@H](CNC(=O)N[C@@H]1CCCSC1)[NH+]1CCOCC1 ZINC000330135651 228046763 /nfs/dbraw/zinc/04/67/63/228046763.db2.gz SSSYICYKFAMDJF-VXGBXAGGSA-N 1 2 287.429 1.106 20 30 CDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]CC1CC(F)(F)C1 ZINC000330191460 228060646 /nfs/dbraw/zinc/06/06/46/228060646.db2.gz NDBYLBLOTHRINM-JTQLQIEISA-N 1 2 284.310 1.747 20 30 CDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]CC1(O)CCCCC1 ZINC000330277045 228089883 /nfs/dbraw/zinc/08/98/83/228089883.db2.gz NSOYDLASHTYCQY-LBPRGKRZSA-N 1 2 292.383 1.397 20 30 CDEDLO [O-]C(NCC1(O)CCCCC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330277045 228089885 /nfs/dbraw/zinc/08/98/85/228089885.db2.gz NSOYDLASHTYCQY-LBPRGKRZSA-N 1 2 292.383 1.397 20 30 CDEDLO Cc1cccc2[nH+]cc(CN3CCO[C@H](C#N)C3)n21 ZINC000353390763 228094609 /nfs/dbraw/zinc/09/46/09/228094609.db2.gz VRWAGFMYIUULKX-CYBMUJFWSA-N 1 2 256.309 1.367 20 30 CDEDLO N#CCN1CCC(CNC(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000332553505 228163478 /nfs/dbraw/zinc/16/34/78/228163478.db2.gz LJKQAOBAJPUXDC-UHFFFAOYSA-N 1 2 297.362 1.300 20 30 CDEDLO N#CC1(C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)CC1 ZINC000408108816 260235619 /nfs/dbraw/zinc/23/56/19/260235619.db2.gz BRYSEZITMDICLB-CYBMUJFWSA-N 1 2 277.368 1.003 20 30 CDEDLO N#CC1(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)CC1 ZINC000408108816 260235620 /nfs/dbraw/zinc/23/56/20/260235620.db2.gz BRYSEZITMDICLB-CYBMUJFWSA-N 1 2 277.368 1.003 20 30 CDEDLO NC(CN1CCOCC1)=[NH+]OCc1ccc(F)cc1F ZINC000084915092 260369058 /nfs/dbraw/zinc/36/90/58/260369058.db2.gz DDGUEMLFOSXELB-UHFFFAOYSA-N 1 2 285.294 1.086 20 30 CDEDLO CCc1[nH+]c2ccccc2n1CC(=O)NCCC#N ZINC000130748164 260399569 /nfs/dbraw/zinc/39/95/69/260399569.db2.gz CHXYMFOWKVQSJG-UHFFFAOYSA-N 1 2 256.309 1.629 20 30 CDEDLO N#CCCN1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000112705784 260663151 /nfs/dbraw/zinc/66/31/51/260663151.db2.gz IGVZNXVUXGDWSS-MRXNPFEDSA-N 1 2 298.390 1.323 20 30 CDEDLO C#CCOCCC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156615288 260798946 /nfs/dbraw/zinc/79/89/46/260798946.db2.gz ZNBYMESMAVMLKJ-ZIAGYGMSSA-N 1 2 275.352 1.333 20 30 CDEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000408380630 260823182 /nfs/dbraw/zinc/82/31/82/260823182.db2.gz BIQJXFLLRXTETQ-MGPQQGTHSA-N 1 2 277.368 1.002 20 30 CDEDLO CC1(C#N)CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000280388689 263060988 /nfs/dbraw/zinc/06/09/88/263060988.db2.gz GFHRPTGWHRHCAF-UHFFFAOYSA-N 1 2 267.292 1.253 20 30 CDEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)CCC#N ZINC000280620241 263063406 /nfs/dbraw/zinc/06/34/06/263063406.db2.gz PLHASDXIXAXSNZ-UHFFFAOYSA-N 1 2 292.289 1.995 20 30 CDEDLO NC(=[NH+]OCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000284543912 263087313 /nfs/dbraw/zinc/08/73/13/263087313.db2.gz VPUHPPJPRJCSJF-GFCCVEGCSA-N 1 2 295.295 1.441 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000286000439 263096776 /nfs/dbraw/zinc/09/67/76/263096776.db2.gz NPABSBZVUIZFLG-AWEZNQCLSA-N 1 2 260.341 1.986 20 30 CDEDLO Cc1cc(C)c(NC(=O)NC[C@@H]2COCCO2)c(C)[nH+]1 ZINC000331346767 264205927 /nfs/dbraw/zinc/20/59/27/264205927.db2.gz WHHHEEWDBKTLND-GFCCVEGCSA-N 1 2 279.340 1.748 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CC=CCC1 ZINC000071799080 264257026 /nfs/dbraw/zinc/25/70/26/264257026.db2.gz PHNYXDXZHGPYAB-HNNXBMFYSA-N 1 2 291.395 1.417 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000345808510 265100596 /nfs/dbraw/zinc/10/05/96/265100596.db2.gz IHPAVEGFWLEKGJ-NWDGAFQWSA-N 1 2 279.384 1.437 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000345808510 265100597 /nfs/dbraw/zinc/10/05/97/265100597.db2.gz IHPAVEGFWLEKGJ-NWDGAFQWSA-N 1 2 279.384 1.437 20 30 CDEDLO C=C[C@H](O)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000665151076 424442337 /nfs/dbraw/zinc/44/23/37/424442337.db2.gz OORMHHBHRLOUSZ-HWYHOQROSA-N 1 2 286.375 1.391 20 30 CDEDLO CC[N@@H+](CC(=O)N[C@H](CC(C)C)C(=O)OC)C[C@H](C)C#N ZINC000356468901 266119250 /nfs/dbraw/zinc/11/92/50/266119250.db2.gz CZNKSZUPEFLSIA-CHWSQXEVSA-N 1 2 297.399 1.172 20 30 CDEDLO CC[N@H+](CC(=O)N[C@H](CC(C)C)C(=O)OC)C[C@H](C)C#N ZINC000356468901 266119252 /nfs/dbraw/zinc/11/92/52/266119252.db2.gz CZNKSZUPEFLSIA-CHWSQXEVSA-N 1 2 297.399 1.172 20 30 CDEDLO C=C[C@H](C)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000362601832 267019274 /nfs/dbraw/zinc/01/92/74/267019274.db2.gz RINOHXSDXSUELY-ZDUSSCGKSA-N 1 2 274.364 1.823 20 30 CDEDLO C#CCCCS(=O)(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000367787506 267118261 /nfs/dbraw/zinc/11/82/61/267118261.db2.gz SQJKPNFDICQVOG-KGLIPLIRSA-N 1 2 295.408 1.509 20 30 CDEDLO Cc1c[nH]c(C(C)(C)NC(=O)Cc2ccc(C#N)nc2)[nH+]1 ZINC000529460562 268070252 /nfs/dbraw/zinc/07/02/52/268070252.db2.gz UJZQLYFUAFHQBH-UHFFFAOYSA-N 1 2 283.335 1.579 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)c(O)c1 ZINC000442632475 270390538 /nfs/dbraw/zinc/39/05/38/270390538.db2.gz CWWSQTJZKIMCCG-JTQLQIEISA-N 1 2 270.292 1.279 20 30 CDEDLO CC1=CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000330476521 276182810 /nfs/dbraw/zinc/18/28/10/276182810.db2.gz KVNBUMOSWRDIGC-UHFFFAOYSA-N 1 2 290.388 1.984 20 30 CDEDLO CC1=CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000330476521 276182812 /nfs/dbraw/zinc/18/28/12/276182812.db2.gz KVNBUMOSWRDIGC-UHFFFAOYSA-N 1 2 290.388 1.984 20 30 CDEDLO CC1(C#N)CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329503077 278170489 /nfs/dbraw/zinc/17/04/89/278170489.db2.gz AMDSDLNTXQLYJJ-NSHDSACASA-N 1 2 287.367 1.807 20 30 CDEDLO CC1(C#N)CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329503077 278170490 /nfs/dbraw/zinc/17/04/90/278170490.db2.gz AMDSDLNTXQLYJJ-NSHDSACASA-N 1 2 287.367 1.807 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)NCCCCn1cc[nH+]c1 ZINC000556128091 290254454 /nfs/dbraw/zinc/25/44/54/290254454.db2.gz ZBBWYMQIIOJXHU-UHFFFAOYSA-N 1 2 283.335 1.668 20 30 CDEDLO Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3C#N)C2=O)cn1 ZINC000329615642 294248413 /nfs/dbraw/zinc/24/84/13/294248413.db2.gz SHBVLTWWIJTUSN-BNOWGMLFSA-N 1 2 287.367 1.197 20 30 CDEDLO O=C(C[N@@H+]1CCO[C@]2(CCOC2)C1)NC1CCCCC1 ZINC000329917607 295389862 /nfs/dbraw/zinc/38/98/62/295389862.db2.gz ZISJKDUPVBJWTG-OAHLLOKOSA-N 1 2 282.384 1.767 20 30 CDEDLO O=C(C[N@H+]1CCO[C@]2(CCOC2)C1)NC1CCCCC1 ZINC000329917607 295389864 /nfs/dbraw/zinc/38/98/64/295389864.db2.gz ZISJKDUPVBJWTG-OAHLLOKOSA-N 1 2 282.384 1.767 20 30 CDEDLO CC[N@@H+](Cc1cncc(-c2nn[nH]n2)c1)C[C@H](C)C#N ZINC001590721991 1173499663 /nfs/dbraw/zinc/49/96/63/1173499663.db2.gz XPWHFNMYQLFGGV-SNVBAGLBSA-N 1 2 271.328 1.243 20 30 CDEDLO CC[N@H+](Cc1cncc(-c2nn[nH]n2)c1)C[C@H](C)C#N ZINC001590721991 1173499667 /nfs/dbraw/zinc/49/96/67/1173499667.db2.gz XPWHFNMYQLFGGV-SNVBAGLBSA-N 1 2 271.328 1.243 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC000572660006 327629060 /nfs/dbraw/zinc/62/90/60/327629060.db2.gz XGHKDSMEXDJPQN-SECBINFHSA-N 1 2 256.327 1.465 20 30 CDEDLO CC1CC(C#N)(C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000531555040 328017379 /nfs/dbraw/zinc/01/73/79/328017379.db2.gz UXHRRTBTTLAGPC-UHFFFAOYSA-N 1 2 282.347 1.933 20 30 CDEDLO N#CC1(CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000563669706 328083463 /nfs/dbraw/zinc/08/34/63/328083463.db2.gz VGFAKKHROCFHEE-UHFFFAOYSA-N 1 2 295.346 1.975 20 30 CDEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000272972260 328202569 /nfs/dbraw/zinc/20/25/69/328202569.db2.gz KXDNLJFRAJYACH-SMDDNHRTSA-N 1 2 289.335 1.247 20 30 CDEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000272972260 328202570 /nfs/dbraw/zinc/20/25/70/328202570.db2.gz KXDNLJFRAJYACH-SMDDNHRTSA-N 1 2 289.335 1.247 20 30 CDEDLO CCNC(=O)C1(C/[NH+]=C/c2cccc(O)c2O)CCC1 ZINC000276759158 328219243 /nfs/dbraw/zinc/21/92/43/328219243.db2.gz HMRGEVGBYALEDX-CXUHLZMHSA-N 1 2 276.336 1.823 20 30 CDEDLO CNS(=O)(=O)c1cccc2c1CC[N@H+](CCCC#N)C2 ZINC000284910737 328246775 /nfs/dbraw/zinc/24/67/75/328246775.db2.gz VGTGUOCCOOKVDA-UHFFFAOYSA-N 1 2 293.392 1.257 20 30 CDEDLO CNS(=O)(=O)c1cccc2c1CC[N@@H+](CCCC#N)C2 ZINC000284910737 328246777 /nfs/dbraw/zinc/24/67/77/328246777.db2.gz VGTGUOCCOOKVDA-UHFFFAOYSA-N 1 2 293.392 1.257 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)nc1 ZINC000579123632 324112772 /nfs/dbraw/zinc/11/27/72/324112772.db2.gz WJGVWUNNKYJELM-UHFFFAOYSA-N 1 2 285.269 1.842 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000425485135 328489609 /nfs/dbraw/zinc/48/96/09/328489609.db2.gz XNSCTLNVKPPEKV-MJBXVCDLSA-N 1 2 299.378 1.652 20 30 CDEDLO COc1ccccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000558899255 327130349 /nfs/dbraw/zinc/13/03/49/327130349.db2.gz RLLBWQUYDUEICT-AWEZNQCLSA-N 1 2 261.325 1.269 20 30 CDEDLO COc1cc(C[N@@H+]2CC[C@@H](NCCC#N)C2)cc(OC)c1 ZINC000569450266 327178565 /nfs/dbraw/zinc/17/85/65/327178565.db2.gz XQENDWZZQQDHCL-CQSZACIVSA-N 1 2 289.379 1.781 20 30 CDEDLO COc1cc(C[N@H+]2CC[C@@H](NCCC#N)C2)cc(OC)c1 ZINC000569450266 327178566 /nfs/dbraw/zinc/17/85/66/327178566.db2.gz XQENDWZZQQDHCL-CQSZACIVSA-N 1 2 289.379 1.781 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000565051334 327422289 /nfs/dbraw/zinc/42/22/89/327422289.db2.gz LBJLGBKBQRZEHQ-ZDUSSCGKSA-N 1 2 260.297 1.033 20 30 CDEDLO N#CCCC[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000193637527 329060198 /nfs/dbraw/zinc/06/01/98/329060198.db2.gz QSVQRTMJNANZPA-UHFFFAOYSA-N 1 2 278.400 1.950 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NC(=O)Nc1ccc(C)cc1C ZINC000174049933 329156798 /nfs/dbraw/zinc/15/67/98/329156798.db2.gz RKVITWSVNDPTNQ-UHFFFAOYSA-N 1 2 297.358 1.520 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@H]1C1CC1 ZINC000175916781 329171170 /nfs/dbraw/zinc/17/11/70/329171170.db2.gz GWNBVNBKGVTKJI-GJZGRUSLSA-N 1 2 291.395 1.107 20 30 CDEDLO N#CCNC(=O)C[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000177721532 329189679 /nfs/dbraw/zinc/18/96/79/329189679.db2.gz SSEYKVYGGJSAJX-UHFFFAOYSA-N 1 2 295.342 1.944 20 30 CDEDLO N#CCNC(=O)C[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000177721532 329189680 /nfs/dbraw/zinc/18/96/80/329189680.db2.gz SSEYKVYGGJSAJX-UHFFFAOYSA-N 1 2 295.342 1.944 20 30 CDEDLO C=C(C)C[N@@H+](C)Cc1nnc2n1c1ccccc1c(=O)n2C ZINC000181285578 329229484 /nfs/dbraw/zinc/22/94/84/329229484.db2.gz KISHBHQAEZUIJD-UHFFFAOYSA-N 1 2 297.362 1.589 20 30 CDEDLO C=C(C)C[N@H+](C)Cc1nnc2n1c1ccccc1c(=O)n2C ZINC000181285578 329229485 /nfs/dbraw/zinc/22/94/85/329229485.db2.gz KISHBHQAEZUIJD-UHFFFAOYSA-N 1 2 297.362 1.589 20 30 CDEDLO CC#CCCCC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000185493293 329274206 /nfs/dbraw/zinc/27/42/06/329274206.db2.gz IJGWEWRFUKNXBH-MRXNPFEDSA-N 1 2 291.439 1.418 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000583207192 329365409 /nfs/dbraw/zinc/36/54/09/329365409.db2.gz UYHJFRQKMMUQMX-YUTCNCBUSA-N 1 2 275.352 1.295 20 30 CDEDLO C=CCOC[C@H]1NC(=O)N(Cc2cc(C)[nH+]c(C)c2)C1=O ZINC000421818156 330085991 /nfs/dbraw/zinc/08/59/91/330085991.db2.gz ZFIJGKZCHILENP-CYBMUJFWSA-N 1 2 289.335 1.321 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2c(OC)cccc2OC)nn1 ZINC000424166326 330309330 /nfs/dbraw/zinc/30/93/30/330309330.db2.gz AIRYKPMGYWRGOR-UHFFFAOYSA-N 1 2 288.351 1.771 20 30 CDEDLO C#CC[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000105400363 330325768 /nfs/dbraw/zinc/32/57/68/330325768.db2.gz ZLYZAUVEWGCMKS-SNVBAGLBSA-N 1 2 267.126 1.198 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000451241509 331021525 /nfs/dbraw/zinc/02/15/25/331021525.db2.gz GSCLZLDUGZBIOC-GFCCVEGCSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000451241509 331021526 /nfs/dbraw/zinc/02/15/26/331021526.db2.gz GSCLZLDUGZBIOC-GFCCVEGCSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CC(C)(C)CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000455389032 331168461 /nfs/dbraw/zinc/16/84/61/331168461.db2.gz SIYKFBIRJHCQFL-ZIAGYGMSSA-N 1 2 295.427 1.703 20 30 CDEDLO C=C(CC)CNC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000455532074 331172455 /nfs/dbraw/zinc/17/24/55/331172455.db2.gz IXLBNZIYIZGPSZ-CYBMUJFWSA-N 1 2 291.399 1.764 20 30 CDEDLO C=CC(C)(C)CNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000458986456 331264069 /nfs/dbraw/zinc/26/40/69/331264069.db2.gz KHHBNYBQFJVRLY-UHFFFAOYSA-N 1 2 269.389 1.172 20 30 CDEDLO C=CCn1cccc1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000488499110 332013947 /nfs/dbraw/zinc/01/39/47/332013947.db2.gz HMCDZTUVLNYMGN-CYBMUJFWSA-N 1 2 277.368 1.125 20 30 CDEDLO C#CCNC(=O)c1ccc(NCCc2cccc(C)[nH+]2)nc1 ZINC000490739715 332110594 /nfs/dbraw/zinc/11/05/94/332110594.db2.gz GKDJZZIVDWVYST-UHFFFAOYSA-N 1 2 294.358 1.225 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CN(C)c2ccccc2F)CC1 ZINC000490865327 332121484 /nfs/dbraw/zinc/12/14/84/332121484.db2.gz ASPUSCVDTZQQTG-UHFFFAOYSA-N 1 2 289.354 1.039 20 30 CDEDLO C#CC[N@@H+](CC/C=C/CC)[C@H]1CCS(=O)(=O)C1 ZINC000490983957 332135765 /nfs/dbraw/zinc/13/57/65/332135765.db2.gz COEZYTVRJBPJPV-GFUIURDCSA-N 1 2 255.383 1.465 20 30 CDEDLO C#CC[N@H+](CC/C=C/CC)[C@H]1CCS(=O)(=O)C1 ZINC000490983957 332135767 /nfs/dbraw/zinc/13/57/67/332135767.db2.gz COEZYTVRJBPJPV-GFUIURDCSA-N 1 2 255.383 1.465 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2CC(C)C)CC1 ZINC000491153929 332157539 /nfs/dbraw/zinc/15/75/39/332157539.db2.gz FCYDOKCYBOHRNS-UHFFFAOYSA-N 1 2 289.427 1.813 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](O)COc1cc(C)ccc1C ZINC000491375927 332200315 /nfs/dbraw/zinc/20/03/15/332200315.db2.gz YAQZBJJPBGYDGR-CVEARBPZSA-N 1 2 289.375 1.377 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](O)COc1cc(C)ccc1C ZINC000491375927 332200317 /nfs/dbraw/zinc/20/03/17/332200317.db2.gz YAQZBJJPBGYDGR-CVEARBPZSA-N 1 2 289.375 1.377 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)C/C=C(/C)C(=O)OC)n1 ZINC000491426154 332209172 /nfs/dbraw/zinc/20/91/72/332209172.db2.gz DSYGPOIVOWDKNE-QPEQYQDCSA-N 1 2 275.352 1.458 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)C/C=C(/C)C(=O)OC)n1 ZINC000491426154 332209173 /nfs/dbraw/zinc/20/91/73/332209173.db2.gz DSYGPOIVOWDKNE-QPEQYQDCSA-N 1 2 275.352 1.458 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000491427028 332209365 /nfs/dbraw/zinc/20/93/65/332209365.db2.gz IOLMIFZPRDASRJ-MQYJIDSJSA-N 1 2 277.368 1.398 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000491427028 332209367 /nfs/dbraw/zinc/20/93/67/332209367.db2.gz IOLMIFZPRDASRJ-MQYJIDSJSA-N 1 2 277.368 1.398 20 30 CDEDLO C#CC(C)(C)[N@H+](C)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000491661434 332271318 /nfs/dbraw/zinc/27/13/18/332271318.db2.gz ZTUPFQUBAGUONP-UHFFFAOYSA-N 1 2 283.375 1.967 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000491661434 332271319 /nfs/dbraw/zinc/27/13/19/332271319.db2.gz ZTUPFQUBAGUONP-UHFFFAOYSA-N 1 2 283.375 1.967 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1 ZINC000491725112 332309283 /nfs/dbraw/zinc/30/92/83/332309283.db2.gz CXQQSZINVQKQME-UHFFFAOYSA-N 1 2 297.362 1.592 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1 ZINC000491725112 332309285 /nfs/dbraw/zinc/30/92/85/332309285.db2.gz CXQQSZINVQKQME-UHFFFAOYSA-N 1 2 297.362 1.592 20 30 CDEDLO C#C[C@@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)C(C)C ZINC000491771537 332338204 /nfs/dbraw/zinc/33/82/04/332338204.db2.gz OQNJJZVCWFYSCD-ZIAGYGMSSA-N 1 2 274.368 1.715 20 30 CDEDLO Cc1cnccc1/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000493399749 332438569 /nfs/dbraw/zinc/43/85/69/332438569.db2.gz ZNMSPYAXLMIQAB-IYKSTZQJSA-N 1 2 272.352 1.363 20 30 CDEDLO Cc1cc2ccccc2n1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000516699413 333080975 /nfs/dbraw/zinc/08/09/75/333080975.db2.gz YXYCZTFMKOCHMC-QGZVFWFLSA-N 1 2 298.390 1.910 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000523443536 333327475 /nfs/dbraw/zinc/32/74/75/333327475.db2.gz VVTHQHIHDRNGPK-JTQLQIEISA-N 1 2 280.290 1.332 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000523443536 333327476 /nfs/dbraw/zinc/32/74/76/333327476.db2.gz VVTHQHIHDRNGPK-JTQLQIEISA-N 1 2 280.290 1.332 20 30 CDEDLO CC(=O)[C@@H]1C[C@H](C(=O)NC2(C#N)CC[NH+](C)CC2)C1(C)C ZINC000548693136 334166248 /nfs/dbraw/zinc/16/62/48/334166248.db2.gz UKWZXNPBPNEUIH-QWHCGFSZSA-N 1 2 291.395 1.342 20 30 CDEDLO CC(C)(C#N)C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000552122096 334291517 /nfs/dbraw/zinc/29/15/17/334291517.db2.gz IPZCBOKRCMMVKV-UHFFFAOYSA-N 1 2 273.327 1.629 20 30 CDEDLO C[C@H](C#N)S(=O)(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000251017302 334354592 /nfs/dbraw/zinc/35/45/92/334354592.db2.gz BFXODPGINOZNOS-OCCSQVGLSA-N 1 2 293.392 1.217 20 30 CDEDLO C[C@H](C#N)S(=O)(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000251017302 334354593 /nfs/dbraw/zinc/35/45/93/334354593.db2.gz BFXODPGINOZNOS-OCCSQVGLSA-N 1 2 293.392 1.217 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000565373536 334557807 /nfs/dbraw/zinc/55/78/07/334557807.db2.gz HCNDUTDYSJJSLV-GHMZBOCLSA-N 1 2 260.328 1.950 20 30 CDEDLO Fc1ccc(C#CC[NH+]2CCN(Cc3ccon3)CC2)cc1 ZINC000153829894 334680475 /nfs/dbraw/zinc/68/04/75/334680475.db2.gz LDJLXQXUASXLJF-UHFFFAOYSA-N 1 2 299.349 1.983 20 30 CDEDLO N#C[C@@H](NC(=O)CCn1cc[nH+]c1)C1CCCCC1 ZINC000267252360 334696220 /nfs/dbraw/zinc/69/62/20/334696220.db2.gz MMUFTSXPCMKMIF-CYBMUJFWSA-N 1 2 260.341 1.862 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)CNCC(F)(F)c1ccccc1 ZINC000580544463 335276939 /nfs/dbraw/zinc/27/69/39/335276939.db2.gz LKMQIMRPBSYPOL-AWEZNQCLSA-N 1 2 297.349 1.574 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNCC(F)(F)c1ccccc1 ZINC000580544463 335276940 /nfs/dbraw/zinc/27/69/40/335276940.db2.gz LKMQIMRPBSYPOL-AWEZNQCLSA-N 1 2 297.349 1.574 20 30 CDEDLO N#Cc1cnn2cc(C[NH+]3CCC(C#N)CC3)cnc12 ZINC000577611554 335377714 /nfs/dbraw/zinc/37/77/14/335377714.db2.gz JVASPDDQYTULCG-UHFFFAOYSA-N 1 2 266.308 1.337 20 30 CDEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cc(C)no1 ZINC000579489593 335772744 /nfs/dbraw/zinc/77/27/44/335772744.db2.gz AFVNSRSKHNNVAI-UWVGGRQHSA-N 1 2 250.302 1.592 20 30 CDEDLO C[NH+](C)[C@H](CNC[C@H](C#N)CCC#N)c1ccco1 ZINC000581243765 336030105 /nfs/dbraw/zinc/03/01/05/336030105.db2.gz UREKYVNVNDFAHH-QWHCGFSZSA-N 1 2 260.341 1.915 20 30 CDEDLO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCC#N)c1 ZINC000581997829 336187678 /nfs/dbraw/zinc/18/76/78/336187678.db2.gz CMYXAELUKLQNGI-JTQLQIEISA-N 1 2 267.354 1.159 20 30 CDEDLO N#CCN[C@@H]1CCCCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001088325774 1160367287 /nfs/dbraw/zinc/36/72/87/1160367287.db2.gz YIQZTMKXMWMTAB-CQSZACIVSA-N 1 2 289.383 1.227 20 30 CDEDLO N#CCN[C@@H]1CCCCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001088325774 1160367295 /nfs/dbraw/zinc/36/72/95/1160367295.db2.gz YIQZTMKXMWMTAB-CQSZACIVSA-N 1 2 289.383 1.227 20 30 CDEDLO COCC#CC[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000677820172 482301242 /nfs/dbraw/zinc/30/12/42/482301242.db2.gz ILIUYJKVSYPXOC-UHFFFAOYSA-N 1 2 251.276 1.973 20 30 CDEDLO COCC#CC[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000677820172 482301245 /nfs/dbraw/zinc/30/12/45/482301245.db2.gz ILIUYJKVSYPXOC-UHFFFAOYSA-N 1 2 251.276 1.973 20 30 CDEDLO C=CCN(c1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1)C1CC1 ZINC000665710115 482476951 /nfs/dbraw/zinc/47/69/51/482476951.db2.gz AEZGZXJSAATWCI-QWHCGFSZSA-N 1 2 288.395 1.839 20 30 CDEDLO C=CCN(c1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1)C1CC1 ZINC000665710115 482476953 /nfs/dbraw/zinc/47/69/53/482476953.db2.gz AEZGZXJSAATWCI-QWHCGFSZSA-N 1 2 288.395 1.839 20 30 CDEDLO C=CCN1CC[C@H](N(C)c2cc(NC3CC3)[nH+]cn2)C1=O ZINC000665716492 482477324 /nfs/dbraw/zinc/47/73/24/482477324.db2.gz DMYCQRGJBGMFER-LBPRGKRZSA-N 1 2 287.367 1.274 20 30 CDEDLO C=CCN1CC[C@H](N(C)c2cc(NC3CC3)nc[nH+]2)C1=O ZINC000665716492 482477326 /nfs/dbraw/zinc/47/73/26/482477326.db2.gz DMYCQRGJBGMFER-LBPRGKRZSA-N 1 2 287.367 1.274 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CC=C(COC)CC2)nn1 ZINC000653622651 483287780 /nfs/dbraw/zinc/28/77/80/483287780.db2.gz NGSOQPJYFYCCPB-UHFFFAOYSA-N 1 2 262.357 1.633 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CC=C(COC)CC2)nn1 ZINC000653622651 483287784 /nfs/dbraw/zinc/28/77/84/483287784.db2.gz NGSOQPJYFYCCPB-UHFFFAOYSA-N 1 2 262.357 1.633 20 30 CDEDLO C=CCN1CC[C@H](N(C)Cc2c[nH+]c3n2CCC3)C1=O ZINC000668100668 483564515 /nfs/dbraw/zinc/56/45/15/483564515.db2.gz UQGRELQZFRINQA-ZDUSSCGKSA-N 1 2 274.368 1.048 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccsc2COC)C1 ZINC001030526509 1161023642 /nfs/dbraw/zinc/02/36/42/1161023642.db2.gz NCQLWNYMSRXHCY-UHFFFAOYSA-N 1 2 278.377 1.332 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1ccsc1 ZINC001032734681 1161421357 /nfs/dbraw/zinc/42/13/57/1161421357.db2.gz WXGCPUGGUQCKHL-RYUDHWBXSA-N 1 2 276.361 1.045 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1ccsc1 ZINC001032734681 1161421360 /nfs/dbraw/zinc/42/13/60/1161421360.db2.gz WXGCPUGGUQCKHL-RYUDHWBXSA-N 1 2 276.361 1.045 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(F)cc(F)c1 ZINC001085961390 1161956203 /nfs/dbraw/zinc/95/62/03/1161956203.db2.gz FBXMLIXPWAHOKP-AWEZNQCLSA-N 1 2 278.302 1.744 20 30 CDEDLO C[C@](O)(CC(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000330325148 534154827 /nfs/dbraw/zinc/15/48/27/534154827.db2.gz UNCBKEQRBPZYBN-RISCZKNCSA-N 1 2 263.341 1.706 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cnco1 ZINC001754317832 1185573643 /nfs/dbraw/zinc/57/36/43/1185573643.db2.gz IEEFXZVQMINMAD-SECBINFHSA-N 1 2 257.721 1.477 20 30 CDEDLO C=CCC[C@H](C)[NH+]1CCN(C(=O)C2=NC(=O)N(C)C2)CC1 ZINC001113297589 1162151061 /nfs/dbraw/zinc/15/10/61/1162151061.db2.gz HTTPLAJRAQWYFD-LBPRGKRZSA-N 1 2 292.383 1.238 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000184157867 518894985 /nfs/dbraw/zinc/89/49/85/518894985.db2.gz UKZLRYHCUADCTN-CYBMUJFWSA-N 1 2 280.368 1.885 20 30 CDEDLO Cc1nnc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)n1C1CC1 ZINC000329141470 534868968 /nfs/dbraw/zinc/86/89/68/534868968.db2.gz KITXAMDWGZXOTA-JTQLQIEISA-N 1 2 286.339 1.969 20 30 CDEDLO N#CCCC[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000051830876 526445956 /nfs/dbraw/zinc/44/59/56/526445956.db2.gz MQYYIHWMWNKOJJ-UHFFFAOYSA-N 1 2 271.364 1.677 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCc3ccc(O)cc3C2)C1=O ZINC000335920412 526482818 /nfs/dbraw/zinc/48/28/18/526482818.db2.gz GILOJFMPSOANDB-OAHLLOKOSA-N 1 2 272.348 1.537 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCc3ccc(O)cc3C2)C1=O ZINC000335920412 526482820 /nfs/dbraw/zinc/48/28/20/526482820.db2.gz GILOJFMPSOANDB-OAHLLOKOSA-N 1 2 272.348 1.537 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCOc3ccc(F)cc3C2)C1=O ZINC000334941992 526509931 /nfs/dbraw/zinc/50/99/31/526509931.db2.gz ZNSRZOINVQWCGF-AWEZNQCLSA-N 1 2 290.338 1.807 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCOc3ccc(F)cc3C2)C1=O ZINC000334941992 526509937 /nfs/dbraw/zinc/50/99/37/526509937.db2.gz ZNSRZOINVQWCGF-AWEZNQCLSA-N 1 2 290.338 1.807 20 30 CDEDLO CC1(CNC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCOCC1 ZINC000330200739 527902500 /nfs/dbraw/zinc/90/25/00/527902500.db2.gz WWJACLDKBOEGKY-LBPRGKRZSA-N 1 2 292.383 1.518 20 30 CDEDLO CC1(C[NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CCOCC1 ZINC000330200739 527902501 /nfs/dbraw/zinc/90/25/01/527902501.db2.gz WWJACLDKBOEGKY-LBPRGKRZSA-N 1 2 292.383 1.518 20 30 CDEDLO CC(C)[C@@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)CCO1 ZINC000331834249 528746048 /nfs/dbraw/zinc/74/60/48/528746048.db2.gz JVSNPBROKCYQLU-DZGCQCFKSA-N 1 2 279.384 1.152 20 30 CDEDLO CC(C)[C@@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CCO1 ZINC000331834249 528746052 /nfs/dbraw/zinc/74/60/52/528746052.db2.gz JVSNPBROKCYQLU-DZGCQCFKSA-N 1 2 279.384 1.152 20 30 CDEDLO O=C(NC[C@H]1CCCCO1)N1CCn2cc[nH+]c2C1 ZINC000329862730 574441653 /nfs/dbraw/zinc/44/16/53/574441653.db2.gz YSMZMCRMCSXRIK-LLVKDONJSA-N 1 2 264.329 1.182 20 30 CDEDLO COc1cccc(/C=N/CC[N@@H+]2CCOC[C@H]2C)c1O ZINC000729148674 574722948 /nfs/dbraw/zinc/72/29/48/574722948.db2.gz CZZAEOSCHBATFP-HMHNVIDESA-N 1 2 278.352 1.540 20 30 CDEDLO COc1cccc(/C=N/CC[N@H+]2CCOC[C@H]2C)c1O ZINC000729148674 574722950 /nfs/dbraw/zinc/72/29/50/574722950.db2.gz CZZAEOSCHBATFP-HMHNVIDESA-N 1 2 278.352 1.540 20 30 CDEDLO CCOc1ccc(/C=N/CC[N@@H+]2CCOC[C@H]2C)c(O)c1 ZINC000729150862 574723325 /nfs/dbraw/zinc/72/33/25/574723325.db2.gz ZHWQFSCPASERMH-VVBXCHJUSA-N 1 2 292.379 1.931 20 30 CDEDLO CCOc1ccc(/C=N/CC[N@H+]2CCOC[C@H]2C)c(O)c1 ZINC000729150862 574723327 /nfs/dbraw/zinc/72/33/27/574723327.db2.gz ZHWQFSCPASERMH-VVBXCHJUSA-N 1 2 292.379 1.931 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCCSCC=C ZINC000730283904 574910141 /nfs/dbraw/zinc/91/01/41/574910141.db2.gz XEZGKPCFQNAWNL-LBPRGKRZSA-N 1 2 252.383 1.119 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCSCC=C ZINC000730283904 574910145 /nfs/dbraw/zinc/91/01/45/574910145.db2.gz XEZGKPCFQNAWNL-LBPRGKRZSA-N 1 2 252.383 1.119 20 30 CDEDLO CCCCCCNC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000760944019 576527579 /nfs/dbraw/zinc/52/75/79/576527579.db2.gz PHTVWUUKMFZAKN-UHFFFAOYSA-N 1 2 280.416 1.214 20 30 CDEDLO N#CCCNC(=O)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000743860451 576659588 /nfs/dbraw/zinc/65/95/88/576659588.db2.gz GIRVYHHKPZIBJF-UHFFFAOYSA-N 1 2 263.263 1.291 20 30 CDEDLO COc1cccc(/C=[NH+]\Cc2nnnn2CC2CC2)c1O ZINC000769718520 575377974 /nfs/dbraw/zinc/37/79/74/575377974.db2.gz QSFDZOCVQPXRHJ-CHHVJCJISA-N 1 2 287.323 1.416 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]NCc1ccc(C#N)cc1 ZINC000769816011 575388733 /nfs/dbraw/zinc/38/87/33/575388733.db2.gz RGYPERSLEXMOPT-UHFFFAOYSA-N 1 2 282.307 1.063 20 30 CDEDLO C[C@@H]1CCC[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766611195 576115727 /nfs/dbraw/zinc/11/57/27/576115727.db2.gz GFGWHVSBDUKYFG-GFCCVEGCSA-N 1 2 271.364 1.898 20 30 CDEDLO C[C@@H]1CCC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766611195 576115729 /nfs/dbraw/zinc/11/57/29/576115729.db2.gz GFGWHVSBDUKYFG-GFCCVEGCSA-N 1 2 271.364 1.898 20 30 CDEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccoc3)CC2)c1 ZINC000768233702 576266011 /nfs/dbraw/zinc/26/60/11/576266011.db2.gz PKFNRVDZVKSIAC-UHFFFAOYSA-N 1 2 268.320 1.868 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCc3c[nH]nc3C2)cc1 ZINC000769468651 576357176 /nfs/dbraw/zinc/35/71/76/576357176.db2.gz MGXYMSYWZZAQNR-UHFFFAOYSA-N 1 2 267.332 1.980 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCc3c[nH]nc3C2)cc1 ZINC000769468651 576357177 /nfs/dbraw/zinc/35/71/77/576357177.db2.gz MGXYMSYWZZAQNR-UHFFFAOYSA-N 1 2 267.332 1.980 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCc3cn[nH]c3C2)cc1 ZINC000769468651 576357178 /nfs/dbraw/zinc/35/71/78/576357178.db2.gz MGXYMSYWZZAQNR-UHFFFAOYSA-N 1 2 267.332 1.980 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCc3cn[nH]c3C2)cc1 ZINC000769468651 576357179 /nfs/dbraw/zinc/35/71/79/576357179.db2.gz MGXYMSYWZZAQNR-UHFFFAOYSA-N 1 2 267.332 1.980 20 30 CDEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@@H](COC)C2)c1=S ZINC000739869186 576391997 /nfs/dbraw/zinc/39/19/97/576391997.db2.gz OHFDTNZTEWKUMZ-GFCCVEGCSA-N 1 2 282.413 1.834 20 30 CDEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@@H](COC)C2)c1=S ZINC000739869186 576391999 /nfs/dbraw/zinc/39/19/99/576391999.db2.gz OHFDTNZTEWKUMZ-GFCCVEGCSA-N 1 2 282.413 1.834 20 30 CDEDLO C=CCOC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000741336379 576553330 /nfs/dbraw/zinc/55/33/30/576553330.db2.gz YOUMIFNXZGVIAY-UHFFFAOYSA-N 1 2 261.321 1.862 20 30 CDEDLO C[C@@H](C#N)OC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000741337874 576553542 /nfs/dbraw/zinc/55/35/42/576553542.db2.gz XJIMKEIHAQNZMJ-LBPRGKRZSA-N 1 2 274.320 1.588 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(OC)cc2C)CC1 ZINC000742074227 576580830 /nfs/dbraw/zinc/58/08/30/576580830.db2.gz HPJZPIKAGIOJBN-UHFFFAOYSA-N 1 2 272.348 1.395 20 30 CDEDLO C#CCOCCc1nc(-c2cccnc2-n2cc[nH+]c2)no1 ZINC000761720569 576589760 /nfs/dbraw/zinc/58/97/60/576589760.db2.gz WVUALYYHYVJPIB-UHFFFAOYSA-N 1 2 295.302 1.510 20 30 CDEDLO N#Cc1cccc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)c1 ZINC000761854210 576598260 /nfs/dbraw/zinc/59/82/60/576598260.db2.gz BPIHAJKWCOMQJS-UHFFFAOYSA-N 1 2 289.302 1.980 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCc2nccc(C)n2)cc1 ZINC000755815138 576962555 /nfs/dbraw/zinc/96/25/55/576962555.db2.gz FXZMTACENWDDRY-UHFFFAOYSA-N 1 2 272.308 1.631 20 30 CDEDLO C#CCOCCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000755859190 576964863 /nfs/dbraw/zinc/96/48/63/576964863.db2.gz DRGODQJVOYXCKR-CYBMUJFWSA-N 1 2 261.325 1.087 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2C(C)C)CC1 ZINC000749989541 576971298 /nfs/dbraw/zinc/97/12/98/576971298.db2.gz JCDFYLMPCWANNH-UHFFFAOYSA-N 1 2 299.418 1.999 20 30 CDEDLO COc1ccc(O)c(/C=N/CC[N@@H+]2CCO[C@H](C)C2)c1 ZINC000750950591 577018888 /nfs/dbraw/zinc/01/88/88/577018888.db2.gz XLHZYWAYDIMANA-HMHNVIDESA-N 1 2 278.352 1.540 20 30 CDEDLO COc1ccc(O)c(/C=N/CC[N@H+]2CCO[C@H](C)C2)c1 ZINC000750950591 577018891 /nfs/dbraw/zinc/01/88/91/577018891.db2.gz XLHZYWAYDIMANA-HMHNVIDESA-N 1 2 278.352 1.540 20 30 CDEDLO CCOC[C@H]1CC[N@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000758230517 577086483 /nfs/dbraw/zinc/08/64/83/577086483.db2.gz JYQGETAVDNOCCD-ZDUSSCGKSA-N 1 2 275.352 1.344 20 30 CDEDLO CCOC[C@H]1CC[N@@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000758230517 577086486 /nfs/dbraw/zinc/08/64/86/577086486.db2.gz JYQGETAVDNOCCD-ZDUSSCGKSA-N 1 2 275.352 1.344 20 30 CDEDLO Cc1ccn(C[N@H+](C)CCOC(C)(C)C)c(=O)c1C#N ZINC000758241347 577089264 /nfs/dbraw/zinc/08/92/64/577089264.db2.gz UGJFZGHAIGDKEL-UHFFFAOYSA-N 1 2 277.368 1.733 20 30 CDEDLO Cc1ccn(C[N@@H+](C)CCOC(C)(C)C)c(=O)c1C#N ZINC000758241347 577089267 /nfs/dbraw/zinc/08/92/67/577089267.db2.gz UGJFZGHAIGDKEL-UHFFFAOYSA-N 1 2 277.368 1.733 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cn(CC)cn2)C1 ZINC000957283159 612992411 /nfs/dbraw/zinc/99/24/11/612992411.db2.gz MGONQVSIEQSPSA-UHFFFAOYSA-N 1 2 274.368 1.073 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccncc2)C1 ZINC000949569883 612992419 /nfs/dbraw/zinc/99/24/19/612992419.db2.gz KCTDPXQUJQVNPV-UHFFFAOYSA-N 1 2 257.337 1.251 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ocnc2C)C1 ZINC000949839725 612993266 /nfs/dbraw/zinc/99/32/66/612993266.db2.gz JSHWWLMFOLJEIJ-UHFFFAOYSA-N 1 2 261.325 1.153 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2n[nH]c3ccccc32)C1 ZINC000957347697 612993297 /nfs/dbraw/zinc/99/32/97/612993297.db2.gz GWKMHTBPEPWQHI-UHFFFAOYSA-N 1 2 296.374 1.733 20 30 CDEDLO C#Cc1cccc(NC(=O)C[NH+]2CC([C@H](C)NC(C)=O)C2)c1 ZINC000969176082 613203677 /nfs/dbraw/zinc/20/36/77/613203677.db2.gz GLWIAVBTZHBCON-LBPRGKRZSA-N 1 2 299.374 1.063 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)C3CC3)C2)C1 ZINC000972695710 613212476 /nfs/dbraw/zinc/21/24/76/613212476.db2.gz UNLPYXMPISCMMQ-WMLDXEAASA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)C3CC3)C2)C1 ZINC000972695710 613212477 /nfs/dbraw/zinc/21/24/77/613212477.db2.gz UNLPYXMPISCMMQ-WMLDXEAASA-N 1 2 290.407 1.359 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c(C)ncn2C)C1 ZINC000950564382 613295876 /nfs/dbraw/zinc/29/58/76/613295876.db2.gz ZTFMWAABAGWUFA-UHFFFAOYSA-N 1 2 276.384 1.451 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnn(CC)c2)C1 ZINC000949804946 613297410 /nfs/dbraw/zinc/29/74/10/613297410.db2.gz ZYXVLLCMZVQLAB-UHFFFAOYSA-N 1 2 276.384 1.625 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(F)c[nH]2)CC1 ZINC000949345647 613320395 /nfs/dbraw/zinc/32/03/95/613320395.db2.gz 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/nfs/dbraw/zinc/37/45/93/613374593.db2.gz OWQSIZVYVZESRR-UHFFFAOYSA-N 1 2 282.775 1.239 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2ncc[nH]2)C(C)(C)C1 ZINC000977386958 613380051 /nfs/dbraw/zinc/38/00/51/613380051.db2.gz GZUGYAAXKNCIEH-LLVKDONJSA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2ncc[nH]2)C(C)(C)C1 ZINC000977386958 613380052 /nfs/dbraw/zinc/38/00/52/613380052.db2.gz GZUGYAAXKNCIEH-LLVKDONJSA-N 1 2 296.802 1.531 20 30 CDEDLO C=C1CC(C)(C(=O)N2CCC[N@@H+]([C@H](C)C(=O)NC)CC2)C1 ZINC000981910005 613393396 /nfs/dbraw/zinc/39/33/96/613393396.db2.gz WSZSSJLUCVIXCD-CYBMUJFWSA-N 1 2 293.411 1.012 20 30 CDEDLO C=C1CC(C)(C(=O)N2CCC[N@H+]([C@H](C)C(=O)NC)CC2)C1 ZINC000981910005 613393397 /nfs/dbraw/zinc/39/33/97/613393397.db2.gz WSZSSJLUCVIXCD-CYBMUJFWSA-N 1 2 293.411 1.012 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000969830013 613503571 /nfs/dbraw/zinc/50/35/71/613503571.db2.gz CNBZNKXHKWRKAF-BXUZGUMPSA-N 1 2 294.424 1.831 20 30 CDEDLO C=CCN1CC[C@@H](N2CCc3c([nH+]cn3CC)C2)C1=O ZINC000933253332 617378017 /nfs/dbraw/zinc/37/80/17/617378017.db2.gz DNZNBEKHFCKRNZ-CQSZACIVSA-N 1 2 274.368 1.048 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCc2cncs2)CC1 ZINC000950521110 613561921 /nfs/dbraw/zinc/56/19/21/613561921.db2.gz CDJXAEQBNSHOIM-UHFFFAOYSA-N 1 2 277.393 1.243 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cncs2)C1 ZINC000965419479 613592107 /nfs/dbraw/zinc/59/21/07/613592107.db2.gz PWKWUWWTTAVXCR-RYUDHWBXSA-N 1 2 277.393 1.607 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cncs2)C1 ZINC000965419479 613592109 /nfs/dbraw/zinc/59/21/09/613592109.db2.gz PWKWUWWTTAVXCR-RYUDHWBXSA-N 1 2 277.393 1.607 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@H](OC)C2)C1 ZINC000950649761 613654348 /nfs/dbraw/zinc/65/43/48/613654348.db2.gz VOVPEGBNHYWPOO-OCCSQVGLSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CO[C@H]2CCCC[C@@H]2C)CC1 ZINC000951130754 613708364 /nfs/dbraw/zinc/70/83/64/613708364.db2.gz NJWJATBLUVNSHP-GJZGRUSLSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2CCC(C)(C)CO2)CC1 ZINC000949357418 613708748 /nfs/dbraw/zinc/70/87/48/613708748.db2.gz BZDADEBYPHYFKG-CQSZACIVSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2cc(F)ccc2F)CC1 ZINC000949922062 613709398 /nfs/dbraw/zinc/70/93/98/613709398.db2.gz PIMDBEIALAOYOW-UHFFFAOYSA-N 1 2 280.318 1.838 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCO[C@@H](CC)C2)CC1 ZINC000957107286 613713191 /nfs/dbraw/zinc/71/31/91/613713191.db2.gz QTZXLSAYNGKJHI-KBPBESRZSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(-c3ccoc3)n[nH]2)CC1 ZINC000957659100 613714700 /nfs/dbraw/zinc/71/47/00/613714700.db2.gz AIMFAFVYJMMBMS-UHFFFAOYSA-N 1 2 286.335 1.614 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc3c(cn2)OCCC3)CC1 ZINC000957487361 613715293 /nfs/dbraw/zinc/71/52/93/613715293.db2.gz KCJRJCXAKGFFCM-UHFFFAOYSA-N 1 2 287.363 1.350 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc(C)nc2C2CC2)CC1 ZINC000957508455 613718229 /nfs/dbraw/zinc/71/82/29/613718229.db2.gz AYSUOZREAAVEJQ-UHFFFAOYSA-N 1 2 286.379 1.606 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)CC)C2)C1 ZINC000972524629 613722987 /nfs/dbraw/zinc/72/29/87/613722987.db2.gz ULZVGGLSDFVIMT-INIZCTEOSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)CC)C2)C1 ZINC000972524629 613722988 /nfs/dbraw/zinc/72/29/88/613722988.db2.gz ULZVGGLSDFVIMT-INIZCTEOSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC(C)(C)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000892839961 617813387 /nfs/dbraw/zinc/81/33/87/617813387.db2.gz XGCMWTYVYQTAIX-NEPJUHHUSA-N 1 2 269.389 1.359 20 30 CDEDLO COC(=O)[C@@H]1[C@H](C[N@H+](CCC#N)CC2CC2)C1(F)F ZINC000894003962 618243249 /nfs/dbraw/zinc/24/32/49/618243249.db2.gz UZPZFVNUJAZGGP-QWRGUYRKSA-N 1 2 272.295 1.666 20 30 CDEDLO COC(=O)[C@@H]1[C@H](C[N@@H+](CCC#N)CC2CC2)C1(F)F ZINC000894003962 618243251 /nfs/dbraw/zinc/24/32/51/618243251.db2.gz UZPZFVNUJAZGGP-QWRGUYRKSA-N 1 2 272.295 1.666 20 30 CDEDLO C=CCC1(O)CCN(c2cc(N(C)C)[nH+]cn2)CC1 ZINC000895229572 619465676 /nfs/dbraw/zinc/46/56/76/619465676.db2.gz JWLHOGFBXRYBKQ-UHFFFAOYSA-N 1 2 262.357 1.450 20 30 CDEDLO C=CCC1(O)CCN(c2cc(N(C)C)nc[nH+]2)CC1 ZINC000895229572 619465679 /nfs/dbraw/zinc/46/56/79/619465679.db2.gz JWLHOGFBXRYBKQ-UHFFFAOYSA-N 1 2 262.357 1.450 20 30 CDEDLO C=C[C@H](CC)CC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000909526473 619772412 /nfs/dbraw/zinc/77/24/12/619772412.db2.gz YDGVWMJZEDRYBW-QWHCGFSZSA-N 1 2 255.358 1.853 20 30 CDEDLO C=C[C@H](CC)CC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000909526473 619772413 /nfs/dbraw/zinc/77/24/13/619772413.db2.gz YDGVWMJZEDRYBW-QWHCGFSZSA-N 1 2 255.358 1.853 20 30 CDEDLO C=C1CCC(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000895739403 619818298 /nfs/dbraw/zinc/81/82/98/619818298.db2.gz AEUJJYKRNCPDGL-CYBMUJFWSA-N 1 2 266.385 1.570 20 30 CDEDLO C[C@H](CC#N)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000895982604 619934778 /nfs/dbraw/zinc/93/47/78/619934778.db2.gz MXLXAPNHPXOPCT-SKDRFNHKSA-N 1 2 261.329 1.208 20 30 CDEDLO C[C@H](CC#N)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000895982604 619934783 /nfs/dbraw/zinc/93/47/83/619934783.db2.gz MXLXAPNHPXOPCT-SKDRFNHKSA-N 1 2 261.329 1.208 20 30 CDEDLO C#C[C@@H](CC)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897555330 620989742 /nfs/dbraw/zinc/98/97/42/620989742.db2.gz PUGFJBUCNQOWAM-GXFFZTMASA-N 1 2 260.341 1.318 20 30 CDEDLO C#C[C@@H](CC)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897555330 620989745 /nfs/dbraw/zinc/98/97/45/620989745.db2.gz PUGFJBUCNQOWAM-GXFFZTMASA-N 1 2 260.341 1.318 20 30 CDEDLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[C@H](C#N)C2)c[nH+]1 ZINC000898009515 621260619 /nfs/dbraw/zinc/26/06/19/621260619.db2.gz RRBYDTYVGKKOQL-NWDGAFQWSA-N 1 2 260.341 1.735 20 30 CDEDLO CC#CC[NH2+]Cc1cn(-c2cc(C)cc(C)c2)nn1 ZINC000899748687 622414841 /nfs/dbraw/zinc/41/48/41/622414841.db2.gz ZXROOLXNDXZRBD-UHFFFAOYSA-N 1 2 254.337 1.997 20 30 CDEDLO CC(C)n1c[nH+]cc1/C=C1/C(=O)c2ncnn2[C@H]1C ZINC000905086082 626602896 /nfs/dbraw/zinc/60/28/96/626602896.db2.gz RAJROVIJKHMENH-AXNBSVLLSA-N 1 2 257.297 1.896 20 30 CDEDLO C#CC[N@H+](CN1C(=O)C(C)(C)[C@H]1[C@@H]1CCCO1)C(C)C ZINC000905749125 626944851 /nfs/dbraw/zinc/94/48/51/626944851.db2.gz MOLPHNNZYBXKSN-UONOGXRCSA-N 1 2 278.396 1.704 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)C(C)(C)[C@H]1[C@@H]1CCCO1)C(C)C ZINC000905749125 626944855 /nfs/dbraw/zinc/94/48/55/626944855.db2.gz MOLPHNNZYBXKSN-UONOGXRCSA-N 1 2 278.396 1.704 20 30 CDEDLO C#C[C@H]([NH2+][C@@H](C)c1cc2n(n1)CCC2)[C@H]1CCCO1 ZINC000840745327 630686538 /nfs/dbraw/zinc/68/65/38/630686538.db2.gz DNQVIOLCLFRHGQ-CORIIIEPSA-N 1 2 259.353 1.661 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccsc1C#N ZINC000913808914 630790141 /nfs/dbraw/zinc/79/01/41/630790141.db2.gz JBMHEWIPBUBKIF-LLVKDONJSA-N 1 2 293.392 1.460 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccsc1C#N ZINC000913808914 630790145 /nfs/dbraw/zinc/79/01/45/630790145.db2.gz JBMHEWIPBUBKIF-LLVKDONJSA-N 1 2 293.392 1.460 20 30 CDEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000916628692 632041151 /nfs/dbraw/zinc/04/11/51/632041151.db2.gz YPRAIDOTASLKIF-UHFFFAOYSA-N 1 2 286.335 1.881 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCOc2ccccc2C1 ZINC000917087080 632147312 /nfs/dbraw/zinc/14/73/12/632147312.db2.gz PRRIFMOJKNVZFX-LBPRGKRZSA-N 1 2 258.321 1.019 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCOc2ccccc2C1 ZINC000917087080 632147314 /nfs/dbraw/zinc/14/73/14/632147314.db2.gz PRRIFMOJKNVZFX-LBPRGKRZSA-N 1 2 258.321 1.019 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ncccn1 ZINC001691045050 1158703018 /nfs/dbraw/zinc/70/30/18/1158703018.db2.gz QOIBMQVEZCTVCC-UHFFFAOYSA-N 1 2 268.748 1.281 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ncccn1 ZINC001691045050 1158703026 /nfs/dbraw/zinc/70/30/26/1158703026.db2.gz QOIBMQVEZCTVCC-UHFFFAOYSA-N 1 2 268.748 1.281 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(F)cc(F)c1 ZINC001085961390 1161956202 /nfs/dbraw/zinc/95/62/02/1161956202.db2.gz FBXMLIXPWAHOKP-AWEZNQCLSA-N 1 2 278.302 1.744 20 30 CDEDLO N#Cc1cnc(NCCc2cn3ccccc3[nH+]2)nc1 ZINC001169000575 1161997032 /nfs/dbraw/zinc/99/70/32/1161997032.db2.gz QVVICKFNDPLBGC-UHFFFAOYSA-N 1 2 264.292 1.651 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Nc2cccc3[nH]c(C#N)cc32)C[NH2+]1 ZINC001169132232 1161999392 /nfs/dbraw/zinc/99/93/92/1161999392.db2.gz IINAJMNLNSUFOM-YGRLFVJLSA-N 1 2 284.319 1.355 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)C2(C)CCOCC2)CC1 ZINC001113433337 1162174836 /nfs/dbraw/zinc/17/48/36/1162174836.db2.gz FZEIUBKZBVOBDN-UHFFFAOYSA-N 1 2 296.411 1.150 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@H](OC)C(F)(F)F)CC1 ZINC001113505793 1162199721 /nfs/dbraw/zinc/19/97/21/1162199721.db2.gz LOSHCAWVOCBUNL-JTQLQIEISA-N 1 2 280.290 1.284 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)COCc2ccccc2)CC1 ZINC001113623679 1162240456 /nfs/dbraw/zinc/24/04/56/1162240456.db2.gz YCUCUYAKCCYIPU-UHFFFAOYSA-N 1 2 274.364 1.533 20 30 CDEDLO C[NH+](C)Cc1ccc(C(N)=[NH+]OCCCC(=O)[O-])cc1 ZINC001606034283 1163752893 /nfs/dbraw/zinc/75/28/93/1163752893.db2.gz YCBLLQOMCQOPDP-UHFFFAOYSA-N 1 2 279.340 1.250 20 30 CDEDLO C=CCOCC(=O)N1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001095167623 1164294705 /nfs/dbraw/zinc/29/47/05/1164294705.db2.gz JSXBUUJVYPVIGF-UHFFFAOYSA-N 1 2 290.367 1.026 20 30 CDEDLO CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(C#N)ccc1O ZINC001232677142 1167390055 /nfs/dbraw/zinc/39/00/55/1167390055.db2.gz IHMKUUXAXQGXCA-QGZVFWFLSA-N 1 2 299.374 1.851 20 30 CDEDLO CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(C#N)ccc1O ZINC001232677142 1167390062 /nfs/dbraw/zinc/39/00/62/1167390062.db2.gz IHMKUUXAXQGXCA-QGZVFWFLSA-N 1 2 299.374 1.851 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cnc(C3OCCO3)s2)C1 ZINC001645879415 1167549072 /nfs/dbraw/zinc/54/90/72/1167549072.db2.gz IQBTUOXZPWBYQO-ZDUSSCGKSA-N 1 2 295.364 1.039 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cnc(C3OCCO3)s2)C1 ZINC001645879415 1167549080 /nfs/dbraw/zinc/54/90/80/1167549080.db2.gz IQBTUOXZPWBYQO-ZDUSSCGKSA-N 1 2 295.364 1.039 20 30 CDEDLO CCC[N@@H+]1CCCC[C@H]1C(=O)[C@H](C#N)c1nccn1C ZINC001646842222 1168186724 /nfs/dbraw/zinc/18/67/24/1168186724.db2.gz MANDLCMBUMSVDF-STQMWFEESA-N 1 2 274.368 1.861 20 30 CDEDLO CCC[N@H+]1CCCC[C@H]1C(=O)[C@H](C#N)c1nccn1C ZINC001646842222 1168186728 /nfs/dbraw/zinc/18/67/28/1168186728.db2.gz MANDLCMBUMSVDF-STQMWFEESA-N 1 2 274.368 1.861 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2ccc(NC)s2)CC1 ZINC001574674427 1170998973 /nfs/dbraw/zinc/99/89/73/1170998973.db2.gz YTDSMEYHEYAYFS-UHFFFAOYSA-N 1 2 277.393 1.571 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2ccc(NC)s2)CC1 ZINC001574674427 1170998980 /nfs/dbraw/zinc/99/89/80/1170998980.db2.gz YTDSMEYHEYAYFS-UHFFFAOYSA-N 1 2 277.393 1.571 20 30 CDEDLO COc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@H](C)CC#N ZINC001591486307 1173660359 /nfs/dbraw/zinc/66/03/59/1173660359.db2.gz ZFYWNOOONGPOAP-SECBINFHSA-N 1 2 272.312 1.267 20 30 CDEDLO C(#Cc1ccccc1)C[NH2+]Cc1nc(-c2nn[nH]n2)cs1 ZINC001602745908 1175381239 /nfs/dbraw/zinc/38/12/39/1175381239.db2.gz XOJLCKDKUSJLMW-UHFFFAOYSA-N 1 2 296.359 1.465 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001753449515 1184543539 /nfs/dbraw/zinc/54/35/39/1184543539.db2.gz GNNNOOGSUOEDBY-SJORKVTESA-N 1 2 299.418 1.455 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001753449515 1184543544 /nfs/dbraw/zinc/54/35/44/1184543544.db2.gz GNNNOOGSUOEDBY-SJORKVTESA-N 1 2 299.418 1.455 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001753449515 1184543558 /nfs/dbraw/zinc/54/35/58/1184543558.db2.gz GNNNOOGSUOEDBY-SJORKVTESA-N 1 2 299.418 1.455 20 30 CDEDLO C=C(C)CCC(=O)NCCC[N@@H+](C)Cc1ccon1 ZINC001751980128 1184797493 /nfs/dbraw/zinc/79/74/93/1184797493.db2.gz LOZSUXGIWCICNL-UHFFFAOYSA-N 1 2 265.357 1.969 20 30 CDEDLO C=C(C)CCC(=O)NCCC[N@H+](C)Cc1ccon1 ZINC001751980128 1184797500 /nfs/dbraw/zinc/79/75/00/1184797500.db2.gz LOZSUXGIWCICNL-UHFFFAOYSA-N 1 2 265.357 1.969 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)COc2ccc(C)cc2)C1 ZINC001753393159 1185183353 /nfs/dbraw/zinc/18/33/53/1185183353.db2.gz DWPIZUNXDIKUSS-UHFFFAOYSA-N 1 2 274.364 1.750 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnco1 ZINC001754317832 1185573639 /nfs/dbraw/zinc/57/36/39/1185573639.db2.gz IEEFXZVQMINMAD-SECBINFHSA-N 1 2 257.721 1.477 20 30 CDEDLO C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1[nH]ncc1F ZINC001135408349 1164138953 /nfs/dbraw/zinc/13/89/53/1164138953.db2.gz WFDCMJWFXWIIHE-BDAKNGLRSA-N 1 2 288.754 1.788 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnc(COC)s2)C1 ZINC001033712937 735294715 /nfs/dbraw/zinc/29/47/15/735294715.db2.gz MUFUTBYTGXVLPO-LLVKDONJSA-N 1 2 293.392 1.069 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc(COC)s2)C1 ZINC001033712937 735294720 /nfs/dbraw/zinc/29/47/20/735294720.db2.gz MUFUTBYTGXVLPO-LLVKDONJSA-N 1 2 293.392 1.069 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[C@@H]1C)O2 ZINC001053644898 735319504 /nfs/dbraw/zinc/31/95/04/735319504.db2.gz OMULTTFXPGIVED-AVGNSLFASA-N 1 2 264.369 1.178 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)ccc1OC ZINC001038484200 735320949 /nfs/dbraw/zinc/32/09/49/735320949.db2.gz QPKMZCHJDAKNNY-AWEZNQCLSA-N 1 2 286.375 1.831 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)ccc1OC ZINC001038484200 735320952 /nfs/dbraw/zinc/32/09/52/735320952.db2.gz QPKMZCHJDAKNNY-AWEZNQCLSA-N 1 2 286.375 1.831 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001030414192 735326821 /nfs/dbraw/zinc/32/68/21/735326821.db2.gz QRZYPBJZJDHGDD-LLVKDONJSA-N 1 2 270.323 1.636 20 30 CDEDLO C=CCCC(=O)NC1(CNC(=O)Cn2cc[nH+]c2)CCC1 ZINC001063518019 735346574 /nfs/dbraw/zinc/34/65/74/735346574.db2.gz VSRARZWNGXTPPW-UHFFFAOYSA-N 1 2 290.367 1.004 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001031012218 735361539 /nfs/dbraw/zinc/36/15/39/735361539.db2.gz MHAFTJUIDORRPH-MRXNPFEDSA-N 1 2 282.387 1.615 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(C)ncn2)C1 ZINC001033015908 735391835 /nfs/dbraw/zinc/39/18/35/735391835.db2.gz XVBYGGPOXDQFGH-LBPRGKRZSA-N 1 2 294.786 1.684 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)ncn2)C1 ZINC001033015908 735391839 /nfs/dbraw/zinc/39/18/39/735391839.db2.gz XVBYGGPOXDQFGH-LBPRGKRZSA-N 1 2 294.786 1.684 20 30 CDEDLO CON=CC(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000854411967 735399492 /nfs/dbraw/zinc/39/94/92/735399492.db2.gz FMRUSXAAAFAQGT-UHFFFAOYSA-N 1 2 296.396 1.240 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2csc(C3CC3)n2)C1 ZINC001031056132 735410333 /nfs/dbraw/zinc/41/03/33/735410333.db2.gz UKRKDCGXWWPYBZ-UHFFFAOYSA-N 1 2 291.420 1.940 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(=C)C)CCO2)cn1 ZINC001035581919 735412421 /nfs/dbraw/zinc/41/24/21/735412421.db2.gz QREHLKDZGJLFDW-MRXNPFEDSA-N 1 2 299.374 1.070 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(=C)C)CCO2)cn1 ZINC001035581919 735412424 /nfs/dbraw/zinc/41/24/24/735412424.db2.gz QREHLKDZGJLFDW-MRXNPFEDSA-N 1 2 299.374 1.070 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn(C(C)(C)C)c2)C1 ZINC001043190666 735424356 /nfs/dbraw/zinc/42/43/56/735424356.db2.gz ORIBBSFYCQIMNM-UHFFFAOYSA-N 1 2 288.395 1.418 20 30 CDEDLO CC(=O)c1[nH]c(CC[NH+]2CCC(C#N)CC2)nc1C ZINC000851740013 735437930 /nfs/dbraw/zinc/43/79/30/735437930.db2.gz KFYJWDSHSDYUCU-UHFFFAOYSA-N 1 2 260.341 1.699 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnco3)C[C@@H]21 ZINC001042168725 735445031 /nfs/dbraw/zinc/44/50/31/735445031.db2.gz APSWCAHXYFXFOO-NEPJUHHUSA-N 1 2 295.770 1.964 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cnco3)C[C@@H]21 ZINC001042168725 735445034 /nfs/dbraw/zinc/44/50/34/735445034.db2.gz APSWCAHXYFXFOO-NEPJUHHUSA-N 1 2 295.770 1.964 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2CC2CC2)cc1 ZINC001051061428 735487614 /nfs/dbraw/zinc/48/76/14/735487614.db2.gz MPHOFHLUKPRYDH-KRWDZBQOSA-N 1 2 298.386 1.509 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2CC2CC2)cc1 ZINC001051061428 735487623 /nfs/dbraw/zinc/48/76/23/735487623.db2.gz MPHOFHLUKPRYDH-KRWDZBQOSA-N 1 2 298.386 1.509 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C(C)C)cn1 ZINC001017768761 735535112 /nfs/dbraw/zinc/53/51/12/735535112.db2.gz ICGHVWQENDCTOY-OKILXGFUSA-N 1 2 286.379 1.386 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C(C)C)cn1 ZINC001017768761 735535122 /nfs/dbraw/zinc/53/51/22/735535122.db2.gz ICGHVWQENDCTOY-OKILXGFUSA-N 1 2 286.379 1.386 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC001609055948 1164750011 /nfs/dbraw/zinc/75/00/11/1164750011.db2.gz HLADHEGOPVZVDQ-UHFFFAOYSA-N 1 2 290.327 1.133 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC001609055948 1164750020 /nfs/dbraw/zinc/75/00/20/1164750020.db2.gz HLADHEGOPVZVDQ-UHFFFAOYSA-N 1 2 290.327 1.133 20 30 CDEDLO COc1ccc(C[N@@H+]2CCC3(C2)OCCO3)cc1C#N ZINC000135183761 735767624 /nfs/dbraw/zinc/76/76/24/735767624.db2.gz DIFDJVZKBSXLLF-UHFFFAOYSA-N 1 2 274.320 1.516 20 30 CDEDLO COc1ccc(C[N@H+]2CCC3(C2)OCCO3)cc1C#N ZINC000135183761 735767629 /nfs/dbraw/zinc/76/76/29/735767629.db2.gz DIFDJVZKBSXLLF-UHFFFAOYSA-N 1 2 274.320 1.516 20 30 CDEDLO CCc1ccc(C#CC(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000857946494 735801272 /nfs/dbraw/zinc/80/12/72/735801272.db2.gz XGZYYTBYQKHJHU-MRXNPFEDSA-N 1 2 293.370 1.928 20 30 CDEDLO C#CC[NH+]1CCC(C)(NC(=O)c2ccc3[nH]nnc3c2)CC1 ZINC001045637032 735809899 /nfs/dbraw/zinc/80/98/99/735809899.db2.gz XLQLBAQCVXXWGW-UHFFFAOYSA-N 1 2 297.362 1.175 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c(cn1)CCCC2 ZINC001032512124 735820661 /nfs/dbraw/zinc/82/06/61/735820661.db2.gz NHTDGJSBTWXUAL-HOTGVXAUSA-N 1 2 295.386 1.492 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c(cn1)CCCC2 ZINC001032512124 735820662 /nfs/dbraw/zinc/82/06/62/735820662.db2.gz NHTDGJSBTWXUAL-HOTGVXAUSA-N 1 2 295.386 1.492 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)cc2cccnc21 ZINC001038770878 735822736 /nfs/dbraw/zinc/82/27/36/735822736.db2.gz WTBRJYRCLUHNGF-CQSZACIVSA-N 1 2 297.333 1.811 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)cc2cccnc21 ZINC001038770878 735822738 /nfs/dbraw/zinc/82/27/38/735822738.db2.gz WTBRJYRCLUHNGF-CQSZACIVSA-N 1 2 297.333 1.811 20 30 CDEDLO C[C@H]1C[NH+]=C(NN=Cc2cc(Cl)cc(F)c2O)N1 ZINC000779784983 735926014 /nfs/dbraw/zinc/92/60/14/735926014.db2.gz NEDXJRFEXCBDBS-LURJTMIESA-N 1 2 270.695 1.456 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]1C(F)F ZINC001017617064 735996704 /nfs/dbraw/zinc/99/67/04/735996704.db2.gz JZZAPMLFPDDUJX-RFQIPJPRSA-N 1 2 296.361 1.976 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]1C(F)F ZINC001017617064 735996713 /nfs/dbraw/zinc/99/67/13/735996713.db2.gz JZZAPMLFPDDUJX-RFQIPJPRSA-N 1 2 296.361 1.976 20 30 CDEDLO Cc1cc([NH+](C)C)ccc1NC[C@H](O)CN(C)CCC#N ZINC000819409723 736009139 /nfs/dbraw/zinc/00/91/39/736009139.db2.gz ULTNDQARFJCZFE-HNNXBMFYSA-N 1 2 290.411 1.679 20 30 CDEDLO C[NH+]1CCC(C#N)(NC(=O)c2cc(C=O)ccc2F)CC1 ZINC000859256313 736069117 /nfs/dbraw/zinc/06/91/17/736069117.db2.gz HVGNUHYCBZMOGS-UHFFFAOYSA-N 1 2 289.310 1.356 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@H](C)CC1 ZINC001032741255 736073527 /nfs/dbraw/zinc/07/35/27/736073527.db2.gz DTNFICNXMUABNL-AJNGGQMLSA-N 1 2 260.381 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@H](C)CC1 ZINC001032741255 736073532 /nfs/dbraw/zinc/07/35/32/736073532.db2.gz DTNFICNXMUABNL-AJNGGQMLSA-N 1 2 260.381 1.731 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCn3cccc3C2)nn1 ZINC000932527048 736076128 /nfs/dbraw/zinc/07/61/28/736076128.db2.gz VGCDDPVJRDYROT-UHFFFAOYSA-N 1 2 257.341 1.672 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCn3cccc3C2)nn1 ZINC000932527048 736076137 /nfs/dbraw/zinc/07/61/37/736076137.db2.gz VGCDDPVJRDYROT-UHFFFAOYSA-N 1 2 257.341 1.672 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1F ZINC001017438515 736079318 /nfs/dbraw/zinc/07/93/18/736079318.db2.gz VBLMXNGQGNIAQH-TXEJJXNPSA-N 1 2 275.327 1.696 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1F ZINC001017438515 736079325 /nfs/dbraw/zinc/07/93/25/736079325.db2.gz VBLMXNGQGNIAQH-TXEJJXNPSA-N 1 2 275.327 1.696 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]1C(F)F ZINC001017617062 736082933 /nfs/dbraw/zinc/08/29/33/736082933.db2.gz JZZAPMLFPDDUJX-CRWXNKLISA-N 1 2 296.361 1.976 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]1C(F)F ZINC001017617062 736082937 /nfs/dbraw/zinc/08/29/37/736082937.db2.gz JZZAPMLFPDDUJX-CRWXNKLISA-N 1 2 296.361 1.976 20 30 CDEDLO C#CCO[C@@H](C)C(=O)OCc1cccc2[nH+]ccn21 ZINC000835235983 736087638 /nfs/dbraw/zinc/08/76/38/736087638.db2.gz FYMFCYRXNQFZNP-NSHDSACASA-N 1 2 258.277 1.416 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2ocnc2C(F)F)C1 ZINC001015711766 736226456 /nfs/dbraw/zinc/22/64/56/736226456.db2.gz PYFLMVOWZDDGNW-QMMMGPOBSA-N 1 2 269.251 1.050 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2ocnc2C(F)F)C1 ZINC001015711766 736226467 /nfs/dbraw/zinc/22/64/67/736226467.db2.gz PYFLMVOWZDDGNW-QMMMGPOBSA-N 1 2 269.251 1.050 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[C@H]1CCCO1 ZINC001017923136 736256856 /nfs/dbraw/zinc/25/68/56/736256856.db2.gz MLGFHNPAHFWATK-CAOSSQGBSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[C@H]1CCCO1 ZINC001017923136 736256862 /nfs/dbraw/zinc/25/68/62/736256862.db2.gz MLGFHNPAHFWATK-CAOSSQGBSA-N 1 2 290.407 1.500 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccncc3)[C@@H]2C1 ZINC001075486605 736270867 /nfs/dbraw/zinc/27/08/67/736270867.db2.gz HMTIPOVRLRVDAL-UONOGXRCSA-N 1 2 291.782 1.980 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccncc3)[C@@H]2C1 ZINC001075486605 736270872 /nfs/dbraw/zinc/27/08/72/736270872.db2.gz HMTIPOVRLRVDAL-UONOGXRCSA-N 1 2 291.782 1.980 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncnc1C1CC1 ZINC001018228129 736288043 /nfs/dbraw/zinc/28/80/43/736288043.db2.gz UQDNIXLEQCJGHM-OKILXGFUSA-N 1 2 298.390 1.829 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncnc1C1CC1 ZINC001018228129 736288052 /nfs/dbraw/zinc/28/80/52/736288052.db2.gz UQDNIXLEQCJGHM-OKILXGFUSA-N 1 2 298.390 1.829 20 30 CDEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)c(C)o1 ZINC000971209274 736288724 /nfs/dbraw/zinc/28/87/24/736288724.db2.gz BZGMRUADOWRINH-ZWNOBZJWSA-N 1 2 290.367 1.484 20 30 CDEDLO Cc1nc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)c(C)o1 ZINC000971209274 736288734 /nfs/dbraw/zinc/28/87/34/736288734.db2.gz BZGMRUADOWRINH-ZWNOBZJWSA-N 1 2 290.367 1.484 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3c(c2)nnn3CC)C1 ZINC001031376600 736307356 /nfs/dbraw/zinc/30/73/56/736307356.db2.gz WQCWMABCDPEDLN-UHFFFAOYSA-N 1 2 299.378 1.441 20 30 CDEDLO C#CC[N@H+]1CCCC[C@H](NC(=O)c2ccns2)C1 ZINC001034231579 733217302 /nfs/dbraw/zinc/21/73/02/733217302.db2.gz QDEUSKSMFGJGSM-NSHDSACASA-N 1 2 263.366 1.361 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccns2)C1 ZINC001034231579 733217310 /nfs/dbraw/zinc/21/73/10/733217310.db2.gz QDEUSKSMFGJGSM-NSHDSACASA-N 1 2 263.366 1.361 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1cccc(C)c1 ZINC000884100538 733247054 /nfs/dbraw/zinc/24/70/54/733247054.db2.gz YBADKGSXNAFPLA-AWEZNQCLSA-N 1 2 290.363 1.100 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2COc3ccccc3C2)C1 ZINC001043269126 733255578 /nfs/dbraw/zinc/25/55/78/733255578.db2.gz XWTHIUVSCQLVCS-CQSZACIVSA-N 1 2 286.375 1.566 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2c[nH]c3cnccc23)C1 ZINC001043642922 733263894 /nfs/dbraw/zinc/26/38/94/733263894.db2.gz QMIZRDWWKBPBAQ-UHFFFAOYSA-N 1 2 284.363 1.434 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc(C#N)cn2)C1 ZINC000889229939 733278602 /nfs/dbraw/zinc/27/86/02/733278602.db2.gz LPWZDUAVKVEHGF-LBPRGKRZSA-N 1 2 296.334 1.708 20 30 CDEDLO C#CCO[C@@H](C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000822757750 733345387 /nfs/dbraw/zinc/34/53/87/733345387.db2.gz JNPAKVISLCNGAZ-ZDUSSCGKSA-N 1 2 272.348 1.157 20 30 CDEDLO COC(=O)c1ccc(CO[NH+]=C(N)Cc2cccnc2)o1 ZINC000137644303 733350882 /nfs/dbraw/zinc/35/08/82/733350882.db2.gz AFTHIADIPJICBA-UHFFFAOYSA-N 1 2 289.291 1.493 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C)c1 ZINC001032374618 733373680 /nfs/dbraw/zinc/37/36/80/733373680.db2.gz ULYGFBPPMRPKOM-KBPBESRZSA-N 1 2 258.321 1.510 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C)c1 ZINC001032374618 733373688 /nfs/dbraw/zinc/37/36/88/733373688.db2.gz ULYGFBPPMRPKOM-KBPBESRZSA-N 1 2 258.321 1.510 20 30 CDEDLO N#CCSCC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874894262 733403854 /nfs/dbraw/zinc/40/38/54/733403854.db2.gz NXQBXFMVURUMGO-ZDUSSCGKSA-N 1 2 293.367 1.555 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)C[C@H](C)CCC)C1 ZINC000885511681 733441008 /nfs/dbraw/zinc/44/10/08/733441008.db2.gz LKQRBWYCOFZANX-ZIAGYGMSSA-N 1 2 286.441 1.440 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)C[C@H](C)CCC)C1 ZINC000885511681 733441009 /nfs/dbraw/zinc/44/10/09/733441009.db2.gz LKQRBWYCOFZANX-ZIAGYGMSSA-N 1 2 286.441 1.440 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2[nH]ccc2c1 ZINC001017641445 733444259 /nfs/dbraw/zinc/44/42/59/733444259.db2.gz QSXBVDHFZAWYPX-GASCZTMLSA-N 1 2 294.358 1.437 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2[nH]ccc2c1 ZINC001017641445 733444260 /nfs/dbraw/zinc/44/42/60/733444260.db2.gz QSXBVDHFZAWYPX-GASCZTMLSA-N 1 2 294.358 1.437 20 30 CDEDLO Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCC#N ZINC000338959239 733451958 /nfs/dbraw/zinc/45/19/58/733451958.db2.gz WDNDOANTKGFANS-UHFFFAOYSA-N 1 2 255.325 1.887 20 30 CDEDLO CC(C)(C)S(=O)(=O)CCC[NH+]1CCC(C#N)CC1 ZINC000718785032 733457528 /nfs/dbraw/zinc/45/75/28/733457528.db2.gz BYWGJUOGRXVAMC-UHFFFAOYSA-N 1 2 272.414 1.825 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1[C@@H]3CCC[C@@H]31)O2 ZINC001053587376 733475549 /nfs/dbraw/zinc/47/55/49/733475549.db2.gz BGZNNJOGSOIZIJ-BYNSBNAKSA-N 1 2 290.407 1.568 20 30 CDEDLO C[NH+](C)[C@@H](CNS(=O)(=O)CC(C)(C)C#N)c1ccco1 ZINC000777816661 733514459 /nfs/dbraw/zinc/51/44/59/733514459.db2.gz ZMQJCTYRHPRUHS-NSHDSACASA-N 1 2 299.396 1.351 20 30 CDEDLO C=CCC[C@H]1NC(=O)N(CCCCn2cc[nH+]c2)C1=O ZINC000842238334 733524317 /nfs/dbraw/zinc/52/43/17/733524317.db2.gz OCKLJZQPDQFSLI-GFCCVEGCSA-N 1 2 276.340 1.550 20 30 CDEDLO C=C(C)C[C@H](NC(=O)CCc1c[nH+]cn1C)C(=O)OCC ZINC000881753877 733525702 /nfs/dbraw/zinc/52/57/02/733525702.db2.gz AIAXBJWHGHMUIH-ZDUSSCGKSA-N 1 2 293.367 1.367 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1csc(C2CC2)n1 ZINC001039070988 733566882 /nfs/dbraw/zinc/56/68/82/733566882.db2.gz DDRDGVCBSHPEGT-LLVKDONJSA-N 1 2 275.377 1.458 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1csc(C2CC2)n1 ZINC001039070988 733566890 /nfs/dbraw/zinc/56/68/90/733566890.db2.gz DDRDGVCBSHPEGT-LLVKDONJSA-N 1 2 275.377 1.458 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001017754378 733578373 /nfs/dbraw/zinc/57/83/73/733578373.db2.gz AQFDAMAACDLLDP-QXSJWSMHSA-N 1 2 288.391 1.110 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001017754378 733578379 /nfs/dbraw/zinc/57/83/79/733578379.db2.gz AQFDAMAACDLLDP-QXSJWSMHSA-N 1 2 288.391 1.110 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccnc(CCC)c2)C1 ZINC001042993121 733660755 /nfs/dbraw/zinc/66/07/55/733660755.db2.gz XXPNAZFZKKSVRZ-UHFFFAOYSA-N 1 2 285.391 1.814 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1C(C)(C)C ZINC000884122089 733665174 /nfs/dbraw/zinc/66/51/74/733665174.db2.gz GYUNORSICAFZNV-RYUDHWBXSA-N 1 2 282.384 1.470 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)C2CC2)CC1 ZINC000798616969 733690680 /nfs/dbraw/zinc/69/06/80/733690680.db2.gz SDFALIIFULCJOP-LLVKDONJSA-N 1 2 263.337 1.242 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2c(C)nsc2NC)CC1 ZINC000127886057 733698225 /nfs/dbraw/zinc/69/82/25/733698225.db2.gz ZIISHYXLPNGJKM-UHFFFAOYSA-N 1 2 292.408 1.274 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC001032926668 733716997 /nfs/dbraw/zinc/71/69/97/733716997.db2.gz VBVNIGCUQWRZAP-NSHDSACASA-N 1 2 268.748 1.309 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC001032926668 733717002 /nfs/dbraw/zinc/71/70/02/733717002.db2.gz VBVNIGCUQWRZAP-NSHDSACASA-N 1 2 268.748 1.309 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)C2(C(C)C)CC2)C1 ZINC000885508953 733776428 /nfs/dbraw/zinc/77/64/28/733776428.db2.gz NZWABLDZQOQQIY-CYBMUJFWSA-N 1 2 284.425 1.192 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)C2(C(C)C)CC2)C1 ZINC000885508953 733776436 /nfs/dbraw/zinc/77/64/36/733776436.db2.gz NZWABLDZQOQQIY-CYBMUJFWSA-N 1 2 284.425 1.192 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCCC1(F)F ZINC001032588779 733800001 /nfs/dbraw/zinc/80/00/01/733800001.db2.gz UKSGFVOCVQOUNS-AGIUHOORSA-N 1 2 282.334 1.730 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCCC1(F)F ZINC001032588779 733800003 /nfs/dbraw/zinc/80/00/03/733800003.db2.gz UKSGFVOCVQOUNS-AGIUHOORSA-N 1 2 282.334 1.730 20 30 CDEDLO c1ccc(N2CCC(=NN[C@H]3CCOC3)CC2)[nH+]c1 ZINC000788445722 733808638 /nfs/dbraw/zinc/80/86/38/733808638.db2.gz HWIVBXLICDDIQX-ZDUSSCGKSA-N 1 2 260.341 1.416 20 30 CDEDLO N#CCc1ccccc1CC(=O)OCCn1cc[nH+]c1 ZINC000777163848 733824391 /nfs/dbraw/zinc/82/43/91/733824391.db2.gz JXEVMYOUXSYBBP-UHFFFAOYSA-N 1 2 269.304 1.735 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(F)c(Cl)c1 ZINC001038644057 733831916 /nfs/dbraw/zinc/83/19/16/733831916.db2.gz PCAWUHCHBDIUTP-NSHDSACASA-N 1 2 280.730 1.916 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(F)c(Cl)c1 ZINC001038644057 733831921 /nfs/dbraw/zinc/83/19/21/733831921.db2.gz PCAWUHCHBDIUTP-NSHDSACASA-N 1 2 280.730 1.916 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccs1)CO2 ZINC001053727776 733860460 /nfs/dbraw/zinc/86/04/60/733860460.db2.gz GWQGTWROTGLTBS-GFCCVEGCSA-N 1 2 292.404 1.897 20 30 CDEDLO C=CCN1CC(=O)N(Cc2c[nH+]c(C)cc2C)C1=O ZINC000842258697 733867000 /nfs/dbraw/zinc/86/70/00/733867000.db2.gz XXDXSNBMLYSYFV-UHFFFAOYSA-N 1 2 259.309 1.649 20 30 CDEDLO C#CCSCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000172603092 733871081 /nfs/dbraw/zinc/87/10/81/733871081.db2.gz PHAVEHDKLOLBNI-UHFFFAOYSA-N 1 2 285.372 1.969 20 30 CDEDLO COc1cc(Cl)ccc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000819472082 733877532 /nfs/dbraw/zinc/87/75/32/733877532.db2.gz DYRBQNLFWIRRRX-LBPRGKRZSA-N 1 2 297.786 1.967 20 30 CDEDLO COc1cc(Cl)ccc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000819472082 733877534 /nfs/dbraw/zinc/87/75/34/733877534.db2.gz DYRBQNLFWIRRRX-LBPRGKRZSA-N 1 2 297.786 1.967 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccoc1C1CC1 ZINC001038626607 733888461 /nfs/dbraw/zinc/88/84/61/733888461.db2.gz RALBVZJXJQEQEB-LBPRGKRZSA-N 1 2 258.321 1.594 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccoc1C1CC1 ZINC001038626607 733888463 /nfs/dbraw/zinc/88/84/63/733888463.db2.gz RALBVZJXJQEQEB-LBPRGKRZSA-N 1 2 258.321 1.594 20 30 CDEDLO N#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049527226 733898542 /nfs/dbraw/zinc/89/85/42/733898542.db2.gz NTMVFJKWMIYOIT-UXOAXIEHSA-N 1 2 299.378 1.102 20 30 CDEDLO N#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049527226 733898544 /nfs/dbraw/zinc/89/85/44/733898544.db2.gz NTMVFJKWMIYOIT-UXOAXIEHSA-N 1 2 299.378 1.102 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cc[nH]n2)[C@@H]1C ZINC000993143993 733900530 /nfs/dbraw/zinc/90/05/30/733900530.db2.gz ILRGBLXJPCECMG-AAEUAGOBSA-N 1 2 296.802 1.674 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cc[nH]n2)[C@@H]1C ZINC000993143993 733900537 /nfs/dbraw/zinc/90/05/37/733900537.db2.gz ILRGBLXJPCECMG-AAEUAGOBSA-N 1 2 296.802 1.674 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(C2CCC2)n1 ZINC001038896789 733926190 /nfs/dbraw/zinc/92/61/90/733926190.db2.gz NJGDKWNHRJCKGF-ZDUSSCGKSA-N 1 2 287.363 1.770 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1coc(C2CCC2)n1 ZINC001038896789 733926193 /nfs/dbraw/zinc/92/61/93/733926193.db2.gz NJGDKWNHRJCKGF-ZDUSSCGKSA-N 1 2 287.363 1.770 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ncccc2OCCC)C1 ZINC001030893150 733928877 /nfs/dbraw/zinc/92/88/77/733928877.db2.gz UQDZZRLYUZOEIE-UHFFFAOYSA-N 1 2 287.363 1.308 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]nc1C1CC1 ZINC001018134936 733963923 /nfs/dbraw/zinc/96/39/23/733963923.db2.gz KNYTUEAXJWNBTA-OKILXGFUSA-N 1 2 298.390 1.599 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]nc1C1CC1 ZINC001018134936 733963928 /nfs/dbraw/zinc/96/39/28/733963928.db2.gz KNYTUEAXJWNBTA-OKILXGFUSA-N 1 2 298.390 1.599 20 30 CDEDLO C#C[C@H](CCC)NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000820667392 733966430 /nfs/dbraw/zinc/96/64/30/733966430.db2.gz VQMALLUSKZMGJX-BFHYXJOUSA-N 1 2 281.400 1.197 20 30 CDEDLO C#C[C@H](CCC)NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000820667392 733966433 /nfs/dbraw/zinc/96/64/33/733966433.db2.gz VQMALLUSKZMGJX-BFHYXJOUSA-N 1 2 281.400 1.197 20 30 CDEDLO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1scnc1C(F)F ZINC001038496292 733968616 /nfs/dbraw/zinc/96/86/16/733968616.db2.gz MQDRMXAZVCTBPY-SECBINFHSA-N 1 2 299.346 1.908 20 30 CDEDLO C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1scnc1C(F)F ZINC001038496292 733968618 /nfs/dbraw/zinc/96/86/18/733968618.db2.gz MQDRMXAZVCTBPY-SECBINFHSA-N 1 2 299.346 1.908 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc3[nH]nnc3c2)CC[C@H]1C ZINC001072067834 733972628 /nfs/dbraw/zinc/97/26/28/733972628.db2.gz WJMWDXGNLFDGJR-YPMHNXCESA-N 1 2 299.378 1.727 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc3[nH]nnc3c2)CC[C@H]1C ZINC001072067834 733972635 /nfs/dbraw/zinc/97/26/35/733972635.db2.gz WJMWDXGNLFDGJR-YPMHNXCESA-N 1 2 299.378 1.727 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc(OCC=C)cc2)C1 ZINC001031450096 733973474 /nfs/dbraw/zinc/97/34/74/733973474.db2.gz MHTJBHZNBYVEMY-UHFFFAOYSA-N 1 2 298.386 1.618 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000245996716 734000000 /nfs/dbraw/zinc/00/00/00/734000000.db2.gz JHDVCEGKCOKLNR-UONOGXRCSA-N 1 2 274.320 1.229 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000245996716 734000001 /nfs/dbraw/zinc/00/00/01/734000001.db2.gz JHDVCEGKCOKLNR-UONOGXRCSA-N 1 2 274.320 1.229 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)CCOC2)C1 ZINC001033543349 734008891 /nfs/dbraw/zinc/00/88/91/734008891.db2.gz KJXVSPXTENEPJZ-TZMCWYRMSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)CCOC2)C1 ZINC001033543349 734008893 /nfs/dbraw/zinc/00/88/93/734008893.db2.gz KJXVSPXTENEPJZ-TZMCWYRMSA-N 1 2 286.803 1.698 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC1(C)C)CCO2 ZINC001053223939 734021031 /nfs/dbraw/zinc/02/10/31/734021031.db2.gz JTNLYPIOXIZCET-CYBMUJFWSA-N 1 2 278.396 1.522 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001038268368 734025087 /nfs/dbraw/zinc/02/50/87/734025087.db2.gz FWSJSEXLMSNAHI-BFHYXJOUSA-N 1 2 262.397 1.882 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001038268368 734025093 /nfs/dbraw/zinc/02/50/93/734025093.db2.gz FWSJSEXLMSNAHI-BFHYXJOUSA-N 1 2 262.397 1.882 20 30 CDEDLO C=CCN1CCN(C[N@H+](C)CCOc2ccccc2)C1=O ZINC000839949754 734045325 /nfs/dbraw/zinc/04/53/25/734045325.db2.gz OZPHBPQOGIEIBG-UHFFFAOYSA-N 1 2 289.379 1.878 20 30 CDEDLO C=CCN1CCN(C[N@@H+](C)CCOc2ccccc2)C1=O ZINC000839949754 734045328 /nfs/dbraw/zinc/04/53/28/734045328.db2.gz OZPHBPQOGIEIBG-UHFFFAOYSA-N 1 2 289.379 1.878 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccnn1C(C)(C)C ZINC000884417507 734076305 /nfs/dbraw/zinc/07/63/05/734076305.db2.gz 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734126119 /nfs/dbraw/zinc/12/61/19/734126119.db2.gz JYLYXQWGYCHEKO-UKRRQHHQSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2CC3(CCC3)C2)C1 ZINC001035469217 734152207 /nfs/dbraw/zinc/15/22/07/734152207.db2.gz DIONFNSSOQAJOV-HNNXBMFYSA-N 1 2 292.423 1.960 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C2CC3(CCC3)C2)C1 ZINC001035469217 734152210 /nfs/dbraw/zinc/15/22/10/734152210.db2.gz DIONFNSSOQAJOV-HNNXBMFYSA-N 1 2 292.423 1.960 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2CO[C@@H](C)C2)CC1 ZINC001000862525 734162553 /nfs/dbraw/zinc/16/25/53/734162553.db2.gz PGZGJOXQEVIBBI-GXTWGEPZSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2CO[C@@H](C)C2)CC1 ZINC001000862525 734162555 /nfs/dbraw/zinc/16/25/55/734162555.db2.gz PGZGJOXQEVIBBI-GXTWGEPZSA-N 1 2 298.814 1.912 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C2([C@@H]3CCCCO3)CCC2)C1 ZINC001030667657 734213647 /nfs/dbraw/zinc/21/36/47/734213647.db2.gz RBOUVTCYEXOYNX-HNNXBMFYSA-N 1 2 290.407 1.550 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)oc2C)C1 ZINC001035288949 734223162 /nfs/dbraw/zinc/22/31/62/734223162.db2.gz WENCHCAAPCUUAN-ZDUSSCGKSA-N 1 2 278.352 1.513 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)oc2C)C1 ZINC001035288949 734223165 /nfs/dbraw/zinc/22/31/65/734223165.db2.gz WENCHCAAPCUUAN-ZDUSSCGKSA-N 1 2 278.352 1.513 20 30 CDEDLO C#CCC1([NH2+]Cc2noc(C3CCC3)n2)CCOCC1 ZINC000887120364 734244167 /nfs/dbraw/zinc/24/41/67/734244167.db2.gz DIYGBMGARUUPSV-UHFFFAOYSA-N 1 2 275.352 1.999 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccn(C)n2)[C@H]1C ZINC000994422172 734263140 /nfs/dbraw/zinc/26/31/40/734263140.db2.gz BQHNEQBGERQVQT-NEPJUHHUSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccn(C)n2)[C@H]1C ZINC000994422172 734263143 /nfs/dbraw/zinc/26/31/43/734263143.db2.gz BQHNEQBGERQVQT-NEPJUHHUSA-N 1 2 296.802 1.755 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc(C)c(C)nc1C ZINC001017723883 734285257 /nfs/dbraw/zinc/28/52/57/734285257.db2.gz 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734357835 /nfs/dbraw/zinc/35/78/35/734357835.db2.gz FZKADCHHZUVMNO-CYBMUJFWSA-N 1 2 284.363 1.100 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(C)nc1C1CC1 ZINC001038971576 734357840 /nfs/dbraw/zinc/35/78/40/734357840.db2.gz FZKADCHHZUVMNO-CYBMUJFWSA-N 1 2 284.363 1.100 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1=CCCCCC1 ZINC001032371167 734364645 /nfs/dbraw/zinc/36/46/45/734364645.db2.gz GQOGONXYOIYFBP-GJZGRUSLSA-N 1 2 258.365 1.795 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1=CCCCCC1 ZINC001032371167 734364648 /nfs/dbraw/zinc/36/46/48/734364648.db2.gz GQOGONXYOIYFBP-GJZGRUSLSA-N 1 2 258.365 1.795 20 30 CDEDLO C=CCCn1cc(C(=O)NC2C[NH+](CC[C@H](C)F)C2)nn1 ZINC001031079814 734366899 /nfs/dbraw/zinc/36/68/99/734366899.db2.gz MVSMIDQRYLIILP-NSHDSACASA-N 1 2 295.362 1.016 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(CCC)[nH]n2)C1 ZINC001033314284 734368183 /nfs/dbraw/zinc/36/81/83/734368183.db2.gz STCLGHKTGQAENU-CYBMUJFWSA-N 1 2 274.368 1.142 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(CCC)[nH]n2)C1 ZINC001033314284 734368186 /nfs/dbraw/zinc/36/81/86/734368186.db2.gz STCLGHKTGQAENU-CYBMUJFWSA-N 1 2 274.368 1.142 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)c1ccccc1SCC#N ZINC000811924918 734381065 /nfs/dbraw/zinc/38/10/65/734381065.db2.gz QNFYGOSJQZFZPX-UHFFFAOYSA-N 1 2 286.360 1.966 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCC)C[C@@H]21 ZINC001074144737 734390796 /nfs/dbraw/zinc/39/07/96/734390796.db2.gz UTYWUGBEGHAFQE-KBPBESRZSA-N 1 2 266.385 1.664 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCC)C[C@@H]21 ZINC001074144737 734390798 /nfs/dbraw/zinc/39/07/98/734390798.db2.gz UTYWUGBEGHAFQE-KBPBESRZSA-N 1 2 266.385 1.664 20 30 CDEDLO C=CCNC(=O)c1ccccc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000192504287 734401036 /nfs/dbraw/zinc/40/10/36/734401036.db2.gz KBDAISBDYJXGJG-UHFFFAOYSA-N 1 2 298.346 1.897 20 30 CDEDLO C=CCNC(=O)c1ccccc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000192504287 734401041 /nfs/dbraw/zinc/40/10/41/734401041.db2.gz KBDAISBDYJXGJG-UHFFFAOYSA-N 1 2 298.346 1.897 20 30 CDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc[nH]2)CC1 ZINC001004355648 734404950 /nfs/dbraw/zinc/40/49/50/734404950.db2.gz UYPGCSLTGJWYFX-HNNXBMFYSA-N 1 2 286.379 1.855 20 30 CDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc[nH]2)CC1 ZINC001004355648 734404953 /nfs/dbraw/zinc/40/49/53/734404953.db2.gz UYPGCSLTGJWYFX-HNNXBMFYSA-N 1 2 286.379 1.855 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000853526363 734410113 /nfs/dbraw/zinc/41/01/13/734410113.db2.gz PXKBPYAQVFUDEV-MELADBBJSA-N 1 2 287.363 1.521 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000853526363 734410115 /nfs/dbraw/zinc/41/01/15/734410115.db2.gz PXKBPYAQVFUDEV-MELADBBJSA-N 1 2 287.363 1.521 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc(C)s2)[C@@H]1C ZINC000993128396 734434455 /nfs/dbraw/zinc/43/44/55/734434455.db2.gz MYPZSEUFKAMOCL-JQWIXIFHSA-N 1 2 277.393 1.667 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc(C)s2)[C@@H]1C ZINC000993128396 734434460 /nfs/dbraw/zinc/43/44/60/734434460.db2.gz MYPZSEUFKAMOCL-JQWIXIFHSA-N 1 2 277.393 1.667 20 30 CDEDLO C#CCOCC[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000859798058 734449460 /nfs/dbraw/zinc/44/94/60/734449460.db2.gz YYXMHESMOLCXCZ-UHFFFAOYSA-N 1 2 257.337 1.362 20 30 CDEDLO C#CCOCC[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000859798058 734449465 /nfs/dbraw/zinc/44/94/65/734449465.db2.gz YYXMHESMOLCXCZ-UHFFFAOYSA-N 1 2 257.337 1.362 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1Cc2ccccc2C1 ZINC001038743667 734464101 /nfs/dbraw/zinc/46/41/01/734464101.db2.gz QSICIPUHBQLFGT-INIZCTEOSA-N 1 2 268.360 1.225 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1Cc2ccccc2C1 ZINC001038743667 734464108 /nfs/dbraw/zinc/46/41/08/734464108.db2.gz QSICIPUHBQLFGT-INIZCTEOSA-N 1 2 268.360 1.225 20 30 CDEDLO C=CCNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066985814 734468168 /nfs/dbraw/zinc/46/81/68/734468168.db2.gz SBIOYUOUPLSSHS-UHFFFAOYSA-N 1 2 256.309 1.858 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(F)(F)C1 ZINC001032435795 734481403 /nfs/dbraw/zinc/48/14/03/734481403.db2.gz CTICVEONCPSEBC-WOPDTQHZSA-N 1 2 268.307 1.340 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(F)(F)C1 ZINC001032435795 734481393 /nfs/dbraw/zinc/48/13/93/734481393.db2.gz CTICVEONCPSEBC-WOPDTQHZSA-N 1 2 268.307 1.340 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2nccs2)[C@H]1C ZINC000994059025 734482773 /nfs/dbraw/zinc/48/27/73/734482773.db2.gz LWSOMKGHSBCXHO-GHMZBOCLSA-N 1 2 263.366 1.359 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2nccs2)[C@H]1C ZINC000994059025 734482781 /nfs/dbraw/zinc/48/27/81/734482781.db2.gz LWSOMKGHSBCXHO-GHMZBOCLSA-N 1 2 263.366 1.359 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1nc(CC)oc1C ZINC001038808994 734507957 /nfs/dbraw/zinc/50/79/57/734507957.db2.gz VPOZSLGRHNWEAL-LBPRGKRZSA-N 1 2 275.352 1.373 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1nc(CC)oc1C ZINC001038808994 734507963 /nfs/dbraw/zinc/50/79/63/734507963.db2.gz VPOZSLGRHNWEAL-LBPRGKRZSA-N 1 2 275.352 1.373 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C=O)c(C)cc2C)C1 ZINC000923561786 734527407 /nfs/dbraw/zinc/52/74/07/734527407.db2.gz LZWSXOYKPVGJAX-MRXNPFEDSA-N 1 2 298.386 1.943 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C=O)c(C)cc2C)C1 ZINC000923561786 734527412 /nfs/dbraw/zinc/52/74/12/734527412.db2.gz LZWSXOYKPVGJAX-MRXNPFEDSA-N 1 2 298.386 1.943 20 30 CDEDLO COc1ccc(C[NH2+][C@@H](C)c2cnn(C)n2)cc1C#N ZINC000925583469 734529710 /nfs/dbraw/zinc/52/97/10/734529710.db2.gz LLRBXEBASPOXHN-JTQLQIEISA-N 1 2 271.324 1.546 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cncc3ccccc32)C1 ZINC001031432489 734553390 /nfs/dbraw/zinc/55/33/90/734553390.db2.gz JPNKIOWHZNWSAB-UHFFFAOYSA-N 1 2 279.343 1.672 20 30 CDEDLO CNC(=O)C[N@H+](Cc1ccccc1)CC1(CC#N)CC1 ZINC000879757122 734565460 /nfs/dbraw/zinc/56/54/60/734565460.db2.gz OOLMJATZUGENJM-UHFFFAOYSA-N 1 2 271.364 1.928 20 30 CDEDLO CNC(=O)C[N@@H+](Cc1ccccc1)CC1(CC#N)CC1 ZINC000879757122 734565463 /nfs/dbraw/zinc/56/54/63/734565463.db2.gz OOLMJATZUGENJM-UHFFFAOYSA-N 1 2 271.364 1.928 20 30 CDEDLO N#CC[C@@H](O)C[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000809573608 734626462 /nfs/dbraw/zinc/62/64/62/734626462.db2.gz RPJGTYKUPFYXJC-DANOYGIBSA-N 1 2 285.391 1.592 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2cc(C)cn2)C1 ZINC001010333379 734629822 /nfs/dbraw/zinc/62/98/22/734629822.db2.gz FYZLCZMGWWPDCZ-GFCCVEGCSA-N 1 2 282.775 1.135 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc(C)cn2)C1 ZINC001010333379 734629825 /nfs/dbraw/zinc/62/98/25/734629825.db2.gz FYZLCZMGWWPDCZ-GFCCVEGCSA-N 1 2 282.775 1.135 20 30 CDEDLO C[C@H]1CC(=O)N(C[N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000113240005 734641689 /nfs/dbraw/zinc/64/16/89/734641689.db2.gz ARTXIHHAZOGJAU-LBPRGKRZSA-N 1 2 257.337 1.816 20 30 CDEDLO C[C@H]1CC(=O)N(C[N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000113240005 734641697 /nfs/dbraw/zinc/64/16/97/734641697.db2.gz ARTXIHHAZOGJAU-LBPRGKRZSA-N 1 2 257.337 1.816 20 30 CDEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(C)=O)C1 ZINC000970916669 734657825 /nfs/dbraw/zinc/65/78/25/734657825.db2.gz SXNMGRYABMXYEY-JTQLQIEISA-N 1 2 261.163 1.448 20 30 CDEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(C)=O)C1 ZINC000970916669 734657827 /nfs/dbraw/zinc/65/78/27/734657827.db2.gz SXNMGRYABMXYEY-JTQLQIEISA-N 1 2 261.163 1.448 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001054977109 734659779 /nfs/dbraw/zinc/65/97/79/734659779.db2.gz UHOSHRJSBRFICO-PWSUYJOCSA-N 1 2 292.383 1.527 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)cc1Cl ZINC001038825703 734662271 /nfs/dbraw/zinc/66/22/71/734662271.db2.gz HZKIONZWFYPZEE-LLVKDONJSA-N 1 2 292.766 1.786 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)cc1Cl ZINC001038825703 734662278 /nfs/dbraw/zinc/66/22/78/734662278.db2.gz HZKIONZWFYPZEE-LLVKDONJSA-N 1 2 292.766 1.786 20 30 CDEDLO CCn1ccc(C[N@H+](C)Cn2ccc(C)c(C#N)c2=O)c1 ZINC000790450170 734675133 /nfs/dbraw/zinc/67/51/33/734675133.db2.gz GNUHIEUFMSAMGO-UHFFFAOYSA-N 1 2 284.363 1.939 20 30 CDEDLO CCn1ccc(C[N@@H+](C)Cn2ccc(C)c(C#N)c2=O)c1 ZINC000790450170 734675143 /nfs/dbraw/zinc/67/51/43/734675143.db2.gz GNUHIEUFMSAMGO-UHFFFAOYSA-N 1 2 284.363 1.939 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]1OC ZINC001017678574 734675498 /nfs/dbraw/zinc/67/54/98/734675498.db2.gz XKFBDJANUJTBAS-LJISPDSOSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]1OC ZINC001017678574 734675502 /nfs/dbraw/zinc/67/55/02/734675502.db2.gz XKFBDJANUJTBAS-LJISPDSOSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2scnc2C)[C@@H]1C ZINC000993064739 734676402 /nfs/dbraw/zinc/67/64/02/734676402.db2.gz CEAQMIVDLVUKIT-RYUDHWBXSA-N 1 2 277.393 1.667 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2scnc2C)[C@@H]1C ZINC000993064739 734676408 /nfs/dbraw/zinc/67/64/08/734676408.db2.gz CEAQMIVDLVUKIT-RYUDHWBXSA-N 1 2 277.393 1.667 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@]23CCO[C@@H]2CCCC3)C1 ZINC001043314935 734723093 /nfs/dbraw/zinc/72/30/93/734723093.db2.gz MWKZYXRBPQQIIB-WBVHZDCISA-N 1 2 290.407 1.502 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2cccc3nccnc32)C1 ZINC001044084309 734729615 /nfs/dbraw/zinc/72/96/15/734729615.db2.gz HLMCFSZOJXEJHF-UHFFFAOYSA-N 1 2 282.347 1.572 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(O)(Cc2ccccn2)CC1 ZINC000930984923 734738887 /nfs/dbraw/zinc/73/88/87/734738887.db2.gz WBYZFEAGWHTGMR-HNNXBMFYSA-N 1 2 298.390 1.895 20 30 CDEDLO Cc1nc(NC[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001060002906 734740505 /nfs/dbraw/zinc/74/05/05/734740505.db2.gz FZFATRJTIKZZDC-YPMHNXCESA-N 1 2 287.367 1.595 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2CCCOC2)C1 ZINC001031400123 734755122 /nfs/dbraw/zinc/75/51/22/734755122.db2.gz SMLKUDIVQQQGSV-GFCCVEGCSA-N 1 2 252.358 1.180 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC2(CCCC2)C1 ZINC000884133104 734770178 /nfs/dbraw/zinc/77/01/78/734770178.db2.gz MAZUZPQQNHOVIG-LBPRGKRZSA-N 1 2 280.368 1.226 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCN(c3ccccc3)C2)C1 ZINC001030506660 734811093 /nfs/dbraw/zinc/81/10/93/734811093.db2.gz QAOVAXXCBISRAJ-OAHLLOKOSA-N 1 2 299.418 1.889 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001010647059 734815955 /nfs/dbraw/zinc/81/59/55/734815955.db2.gz YMDPELZDBMAUTO-WDEREUQCSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001010647059 734815957 /nfs/dbraw/zinc/81/59/57/734815957.db2.gz YMDPELZDBMAUTO-WDEREUQCSA-N 1 2 256.777 1.976 20 30 CDEDLO C#C[C@H](C)NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000820430060 734817011 /nfs/dbraw/zinc/81/70/11/734817011.db2.gz ZBOBBZXBUHDTFI-FRRDWIJNSA-N 1 2 260.341 1.497 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[C@@H]1CCCO1 ZINC001017917913 734853640 /nfs/dbraw/zinc/85/36/40/734853640.db2.gz WLRUIUBQGXLTLL-XQLPTFJDSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[C@@H]1CCCO1 ZINC001017917913 734853641 /nfs/dbraw/zinc/85/36/41/734853641.db2.gz WLRUIUBQGXLTLL-XQLPTFJDSA-N 1 2 276.380 1.110 20 30 CDEDLO COc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)c(C)c1 ZINC000819431610 734863379 /nfs/dbraw/zinc/86/33/79/734863379.db2.gz WUEPHCWCWCJDMW-CYBMUJFWSA-N 1 2 277.368 1.622 20 30 CDEDLO COc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c(C)c1 ZINC000819431610 734863381 /nfs/dbraw/zinc/86/33/81/734863381.db2.gz WUEPHCWCWCJDMW-CYBMUJFWSA-N 1 2 277.368 1.622 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC000923561556 734864536 /nfs/dbraw/zinc/86/45/36/734864536.db2.gz FWGRQHUDKRXRCE-LBPRGKRZSA-N 1 2 273.336 1.379 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC000923561556 734864539 /nfs/dbraw/zinc/86/45/39/734864539.db2.gz FWGRQHUDKRXRCE-LBPRGKRZSA-N 1 2 273.336 1.379 20 30 CDEDLO C=CCN(C(=O)NCc1c[nH+]cn1C)[C@@H](C)COC ZINC000854067068 734873920 /nfs/dbraw/zinc/87/39/20/734873920.db2.gz ORVVSYCHJBVVAU-NSHDSACASA-N 1 2 266.345 1.153 20 30 CDEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(C)=O ZINC001027710569 734875089 /nfs/dbraw/zinc/87/50/89/734875089.db2.gz WUKUNVVAYHGZHS-SNVBAGLBSA-N 1 2 261.163 1.496 20 30 CDEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(C)=O ZINC001027710569 734875091 /nfs/dbraw/zinc/87/50/91/734875091.db2.gz WUKUNVVAYHGZHS-SNVBAGLBSA-N 1 2 261.163 1.496 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccon2)C1 ZINC001073540887 734889029 /nfs/dbraw/zinc/88/90/29/734889029.db2.gz BMSBFEGQJOCQRI-NSHDSACASA-N 1 2 299.758 1.248 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccon2)C1 ZINC001073540887 734889031 /nfs/dbraw/zinc/88/90/31/734889031.db2.gz BMSBFEGQJOCQRI-NSHDSACASA-N 1 2 299.758 1.248 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(-n2cccc2)ccn1 ZINC001038895600 734898545 /nfs/dbraw/zinc/89/85/45/734898545.db2.gz WFVPRGFRVZNRAB-OAHLLOKOSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(-n2cccc2)ccn1 ZINC001038895600 734898548 /nfs/dbraw/zinc/89/85/48/734898548.db2.gz WFVPRGFRVZNRAB-OAHLLOKOSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC ZINC000878500055 734903567 /nfs/dbraw/zinc/90/35/67/734903567.db2.gz AQVVYVIYSBBWNK-JTQLQIEISA-N 1 2 294.376 1.735 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC ZINC000878500055 734903570 /nfs/dbraw/zinc/90/35/70/734903570.db2.gz AQVVYVIYSBBWNK-JTQLQIEISA-N 1 2 294.376 1.735 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1nc(CCC)cs1 ZINC000884330127 734935942 /nfs/dbraw/zinc/93/59/42/734935942.db2.gz FNXCISDHHIEXJG-JTQLQIEISA-N 1 2 297.380 1.481 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001038980849 734945406 /nfs/dbraw/zinc/94/54/06/734945406.db2.gz BYELKSHIWOWGQJ-ZFWWWQNUSA-N 1 2 288.778 1.803 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001038980849 734945412 /nfs/dbraw/zinc/94/54/12/734945412.db2.gz BYELKSHIWOWGQJ-ZFWWWQNUSA-N 1 2 288.778 1.803 20 30 CDEDLO C#CC[C@@H]([NH2+]C1CCC(C(=O)OCC)CC1)C(=O)OC ZINC000839167529 734959669 /nfs/dbraw/zinc/95/96/69/734959669.db2.gz FJMRUOAMLQFXCY-WXRRBKDZSA-N 1 2 281.352 1.263 20 30 CDEDLO N#Cc1ccc(CN[NH+]=Cc2cnc(N)nc2)cc1 ZINC000781597064 734989026 /nfs/dbraw/zinc/98/90/26/734989026.db2.gz QASASNIIZJYOAH-UHFFFAOYSA-N 1 2 252.281 1.054 20 30 CDEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2c(C)n[nH]c2C)CC1 ZINC000886757813 735036530 /nfs/dbraw/zinc/03/65/30/735036530.db2.gz RXEYVZHQZFGHRE-UHFFFAOYSA-N 1 2 292.383 1.368 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2c(C)onc2CC)C1 ZINC000923592201 735043977 /nfs/dbraw/zinc/04/39/77/735043977.db2.gz RBJMTLANDRFPRD-GFCCVEGCSA-N 1 2 275.352 1.373 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)onc2CC)C1 ZINC000923592201 735043979 /nfs/dbraw/zinc/04/39/79/735043979.db2.gz RBJMTLANDRFPRD-GFCCVEGCSA-N 1 2 275.352 1.373 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2F)C1 ZINC001035262696 735044578 /nfs/dbraw/zinc/04/45/78/735044578.db2.gz OLKMYDSXRNIYOO-LBPRGKRZSA-N 1 2 278.327 1.442 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2F)C1 ZINC001035262696 735044584 /nfs/dbraw/zinc/04/45/84/735044584.db2.gz OLKMYDSXRNIYOO-LBPRGKRZSA-N 1 2 278.327 1.442 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C(F)F)C1 ZINC001034062855 735064810 /nfs/dbraw/zinc/06/48/10/735064810.db2.gz SCOMPLWZGRUXOG-SECBINFHSA-N 1 2 266.719 1.975 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C(F)F)C1 ZINC001034062855 735064813 /nfs/dbraw/zinc/06/48/13/735064813.db2.gz SCOMPLWZGRUXOG-SECBINFHSA-N 1 2 266.719 1.975 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C3CC3)nn2CC)C1 ZINC001030495476 735074785 /nfs/dbraw/zinc/07/47/85/735074785.db2.gz NIGWVAIACYTRLO-UHFFFAOYSA-N 1 2 286.379 1.218 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC(C)(C)CO1 ZINC001032515663 735115972 /nfs/dbraw/zinc/11/59/72/735115972.db2.gz LEVUCWXTRCAGCQ-MELADBBJSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC(C)(C)CO1 ZINC001032515663 735115975 /nfs/dbraw/zinc/11/59/75/735115975.db2.gz LEVUCWXTRCAGCQ-MELADBBJSA-N 1 2 276.380 1.110 20 30 CDEDLO C[C@@H](C#N)OCC[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000801912136 735125512 /nfs/dbraw/zinc/12/55/12/735125512.db2.gz IKBWIYXMTXUVND-NSHDSACASA-N 1 2 286.335 1.696 20 30 CDEDLO C[C@@H](C#N)OCC[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000801912136 735125516 /nfs/dbraw/zinc/12/55/16/735125516.db2.gz IKBWIYXMTXUVND-NSHDSACASA-N 1 2 286.335 1.696 20 30 CDEDLO C#CCCS(=O)(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000289087020 735138495 /nfs/dbraw/zinc/13/84/95/735138495.db2.gz GKWRAXAEGHVYLJ-UHFFFAOYSA-N 1 2 297.424 1.511 20 30 CDEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)CC1OCCO1 ZINC000796383864 735172293 /nfs/dbraw/zinc/17/22/93/735172293.db2.gz JMXCWCZWHIYAMQ-UHFFFAOYSA-N 1 2 267.325 1.523 20 30 CDEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)CC1OCCO1 ZINC000796383864 735172294 /nfs/dbraw/zinc/17/22/94/735172294.db2.gz JMXCWCZWHIYAMQ-UHFFFAOYSA-N 1 2 267.325 1.523 20 30 CDEDLO C#CC[N@@H+]1CC[C@]2(NC(=O)c3[nH]nc(C)c3C)CCC[C@@H]12 ZINC000990056738 735173978 /nfs/dbraw/zinc/17/39/78/735173978.db2.gz RMLXONXONZWCCY-CZUORRHYSA-N 1 2 286.379 1.387 20 30 CDEDLO C#CC[N@H+]1CC[C@]2(NC(=O)c3[nH]nc(C)c3C)CCC[C@@H]12 ZINC000990056738 735173979 /nfs/dbraw/zinc/17/39/79/735173979.db2.gz RMLXONXONZWCCY-CZUORRHYSA-N 1 2 286.379 1.387 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C2CC2)CC1 ZINC001017644105 735174553 /nfs/dbraw/zinc/17/45/53/735174553.db2.gz NMVLDHTYPSWOCV-OKILXGFUSA-N 1 2 258.365 1.485 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C2CC2)CC1 ZINC001017644105 735174554 /nfs/dbraw/zinc/17/45/54/735174554.db2.gz NMVLDHTYPSWOCV-OKILXGFUSA-N 1 2 258.365 1.485 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(Cl)cc(OC)c1 ZINC001038832997 735175330 /nfs/dbraw/zinc/17/53/30/735175330.db2.gz GXKYSFSINQHONG-ZDUSSCGKSA-N 1 2 292.766 1.786 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cl)cc(OC)c1 ZINC001038832997 735175332 /nfs/dbraw/zinc/17/53/32/735175332.db2.gz GXKYSFSINQHONG-ZDUSSCGKSA-N 1 2 292.766 1.786 20 30 CDEDLO Cc1nc(NC[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001060824863 735189799 /nfs/dbraw/zinc/18/97/99/735189799.db2.gz KQEQKJXKTNHLBX-CMPLNLGQSA-N 1 2 273.340 1.205 20 30 CDEDLO Cc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1C#N ZINC000799517957 735246885 /nfs/dbraw/zinc/24/68/85/735246885.db2.gz UTISZKMDQAGZQV-UHFFFAOYSA-N 1 2 268.320 1.883 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]cc1C)O2 ZINC001053695385 735261368 /nfs/dbraw/zinc/26/13/68/735261368.db2.gz HAWINJKPENVVKL-ZDUSSCGKSA-N 1 2 289.379 1.472 20 30 CDEDLO Cc1nc(NC[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)cc[nH+]1 ZINC001053652960 735564187 /nfs/dbraw/zinc/56/41/87/735564187.db2.gz CTYIFFMYIJONPB-DMDPSCGWSA-N 1 2 287.367 1.451 20 30 CDEDLO C#C[C@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000890656299 735601026 /nfs/dbraw/zinc/60/10/26/735601026.db2.gz VZLIOKMNCWGSMR-AWEZNQCLSA-N 1 2 271.364 1.776 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1oc(C)nc1C ZINC001017440808 735604760 /nfs/dbraw/zinc/60/47/60/735604760.db2.gz LQZJDTZFXJWWIC-BETUJISGSA-N 1 2 275.352 1.766 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1oc(C)nc1C ZINC001017440808 735604763 /nfs/dbraw/zinc/60/47/63/735604763.db2.gz LQZJDTZFXJWWIC-BETUJISGSA-N 1 2 275.352 1.766 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccncc1CC ZINC001038429382 735618557 /nfs/dbraw/zinc/61/85/57/735618557.db2.gz OASBXETZUDJNKA-CYBMUJFWSA-N 1 2 257.337 1.081 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccncc1CC ZINC001038429382 735618566 /nfs/dbraw/zinc/61/85/66/735618566.db2.gz OASBXETZUDJNKA-CYBMUJFWSA-N 1 2 257.337 1.081 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(C)(C)CC1 ZINC000884121296 735619738 /nfs/dbraw/zinc/61/97/38/735619738.db2.gz LFIFEVSADRSYPP-NSHDSACASA-N 1 2 268.357 1.082 20 30 CDEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)C(C)C)C2)CC1 ZINC001052093844 735660443 /nfs/dbraw/zinc/66/04/43/735660443.db2.gz QGVJOHOVSJGOPA-HZPDHXFCSA-N 1 2 291.439 1.130 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001017310352 735714884 /nfs/dbraw/zinc/71/48/84/735714884.db2.gz XFBKDAYXVSHCJP-GASCZTMLSA-N 1 2 254.333 1.609 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001017310352 735714903 /nfs/dbraw/zinc/71/49/03/735714903.db2.gz XFBKDAYXVSHCJP-GASCZTMLSA-N 1 2 254.333 1.609 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(CCC)n[nH]2)C1 ZINC001015469584 735850411 /nfs/dbraw/zinc/85/04/11/735850411.db2.gz CMWSZRJOLQUNDY-GFCCVEGCSA-N 1 2 296.802 1.919 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(CCC)n[nH]2)C1 ZINC001015469584 735850414 /nfs/dbraw/zinc/85/04/14/735850414.db2.gz CMWSZRJOLQUNDY-GFCCVEGCSA-N 1 2 296.802 1.919 20 30 CDEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1c(F)cccc1F ZINC000852750239 735891604 /nfs/dbraw/zinc/89/16/04/735891604.db2.gz OWXMWCATLKMFPA-UHFFFAOYSA-N 1 2 296.317 1.875 20 30 CDEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1c(F)cccc1F ZINC000852750239 735891608 /nfs/dbraw/zinc/89/16/08/735891608.db2.gz OWXMWCATLKMFPA-UHFFFAOYSA-N 1 2 296.317 1.875 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001032534707 735898740 /nfs/dbraw/zinc/89/87/40/735898740.db2.gz BOYIWHJYUXHPDZ-UVPYHEFZSA-N 1 2 272.392 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001032534707 735898742 /nfs/dbraw/zinc/89/87/42/735898742.db2.gz BOYIWHJYUXHPDZ-UVPYHEFZSA-N 1 2 272.392 1.731 20 30 CDEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)c2snnc2CC)C1 ZINC001007829636 735974547 /nfs/dbraw/zinc/97/45/47/735974547.db2.gz JCLHZQIAUFOVRZ-SNVBAGLBSA-N 1 2 280.397 1.481 20 30 CDEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2snnc2CC)C1 ZINC001007829636 735974553 /nfs/dbraw/zinc/97/45/53/735974553.db2.gz JCLHZQIAUFOVRZ-SNVBAGLBSA-N 1 2 280.397 1.481 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1c1ccc(COC)o1 ZINC000131241773 736013756 /nfs/dbraw/zinc/01/37/56/736013756.db2.gz RWNHFJDWOVGMNZ-ZDUSSCGKSA-N 1 2 276.336 1.312 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(COC)o1 ZINC000131241773 736013763 /nfs/dbraw/zinc/01/37/63/736013763.db2.gz RWNHFJDWOVGMNZ-ZDUSSCGKSA-N 1 2 276.336 1.312 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC001038062762 736098617 /nfs/dbraw/zinc/09/86/17/736098617.db2.gz GLPJGBZTJCISGL-JTQLQIEISA-N 1 2 266.728 1.760 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC001038062762 736098623 /nfs/dbraw/zinc/09/86/23/736098623.db2.gz GLPJGBZTJCISGL-JTQLQIEISA-N 1 2 266.728 1.760 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000835370769 736111859 /nfs/dbraw/zinc/11/18/59/736111859.db2.gz JUTTWQQEXHOBOP-LLVKDONJSA-N 1 2 265.288 1.395 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000835370769 736111873 /nfs/dbraw/zinc/11/18/73/736111873.db2.gz JUTTWQQEXHOBOP-LLVKDONJSA-N 1 2 265.288 1.395 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@H](C)CO2)CC1 ZINC001000967820 736127435 /nfs/dbraw/zinc/12/74/35/736127435.db2.gz JBNBQHCDOSOZHO-SMDDNHRTSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2C[C@H](C)CO2)CC1 ZINC001000967820 736127425 /nfs/dbraw/zinc/12/74/25/736127425.db2.gz JBNBQHCDOSOZHO-SMDDNHRTSA-N 1 2 298.814 1.912 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cc(=O)[nH]c1C ZINC001018295384 736166567 /nfs/dbraw/zinc/16/65/67/736166567.db2.gz NFNQTIZQAGPBGR-OKILXGFUSA-N 1 2 299.374 1.326 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cc(=O)[nH]c1C ZINC001018295384 736166574 /nfs/dbraw/zinc/16/65/74/736166574.db2.gz NFNQTIZQAGPBGR-OKILXGFUSA-N 1 2 299.374 1.326 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc3ccccc3n2C)C1 ZINC001043676346 736284037 /nfs/dbraw/zinc/28/40/37/736284037.db2.gz KZHDTWHGAKMFHY-UHFFFAOYSA-N 1 2 295.386 1.958 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cc(C)c(Cl)cn2)C1 ZINC001030516418 736319829 /nfs/dbraw/zinc/31/98/29/736319829.db2.gz FTOFZQFQCCMADW-UHFFFAOYSA-N 1 2 293.798 1.962 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2O)CC[C@@H]1O ZINC001232673779 912381467 /nfs/dbraw/zinc/38/14/67/912381467.db2.gz NAXXQWAJSYSOGY-RISCZKNCSA-N 1 2 260.337 1.857 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)CC[C@@H]1O ZINC001232673779 912381484 /nfs/dbraw/zinc/38/14/84/912381484.db2.gz NAXXQWAJSYSOGY-RISCZKNCSA-N 1 2 260.337 1.857 20 30 CDEDLO COC(=O)C[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OC ZINC001173587152 912634514 /nfs/dbraw/zinc/63/45/14/912634514.db2.gz OMTZNPYDHSAXQR-CVZZAPKMSA-N 1 2 282.340 1.153 20 30 CDEDLO C=CCN1C[C@@]2(F)C[N@@H+](CC3CC3)C[C@@]2(F)C1=O ZINC001272484229 913225597 /nfs/dbraw/zinc/22/55/97/913225597.db2.gz QXQDCTNJNYARCH-QWHCGFSZSA-N 1 2 256.296 1.157 20 30 CDEDLO C=CCN1C[C@@]2(F)C[N@H+](CC3CC3)C[C@@]2(F)C1=O ZINC001272484229 913225616 /nfs/dbraw/zinc/22/56/16/913225616.db2.gz QXQDCTNJNYARCH-QWHCGFSZSA-N 1 2 256.296 1.157 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3nc(CC)nn3c2)CC1 ZINC001174640936 913265487 /nfs/dbraw/zinc/26/54/87/913265487.db2.gz VMVDKEMHCKSOKA-UHFFFAOYSA-N 1 2 299.378 1.236 20 30 CDEDLO N#Cc1ncccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174973005 913400158 /nfs/dbraw/zinc/40/01/58/913400158.db2.gz JELNBWJUAKDRJR-UHFFFAOYSA-N 1 2 281.319 1.928 20 30 CDEDLO C=CCCCNC(=O)c1cc2n(n1)CCC[N@@H+](C)C2 ZINC001175104525 913447892 /nfs/dbraw/zinc/44/78/92/913447892.db2.gz IPHSNLVCCZKDMV-UHFFFAOYSA-N 1 2 262.357 1.415 20 30 CDEDLO C=CCCCNC(=O)c1cc2n(n1)CCC[N@H+](C)C2 ZINC001175104525 913447899 /nfs/dbraw/zinc/44/78/99/913447899.db2.gz IPHSNLVCCZKDMV-UHFFFAOYSA-N 1 2 262.357 1.415 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3nccs3)[C@H]2C1 ZINC001083231598 896553793 /nfs/dbraw/zinc/55/37/93/896553793.db2.gz IHHIUZLFTGWAHY-NWDGAFQWSA-N 1 2 293.392 1.244 20 30 CDEDLO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3nccs3)[C@H]2C1 ZINC001083231598 896553797 /nfs/dbraw/zinc/55/37/97/896553797.db2.gz IHHIUZLFTGWAHY-NWDGAFQWSA-N 1 2 293.392 1.244 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C[C@@H](C)OC ZINC001267237833 897269300 /nfs/dbraw/zinc/26/93/00/897269300.db2.gz AAFNKOPRNWKLJF-LLVKDONJSA-N 1 2 262.781 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C[C@@H](C)OC ZINC001267237833 897269318 /nfs/dbraw/zinc/26/93/18/897269318.db2.gz AAFNKOPRNWKLJF-LLVKDONJSA-N 1 2 262.781 1.602 20 30 CDEDLO Cc1nc(NC[C@H](C)N(C)C(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001104523932 898349811 /nfs/dbraw/zinc/34/98/11/898349811.db2.gz GOBXLVBCLCMKBW-UWVGGRQHSA-N 1 2 261.329 1.204 20 30 CDEDLO Cc1cc(C#N)c(F)cc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001176833495 914293247 /nfs/dbraw/zinc/29/32/47/914293247.db2.gz MZITWYDJUBUADA-UHFFFAOYSA-N 1 2 258.256 1.910 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCCC=C)C[C@H]21 ZINC001177087738 914486525 /nfs/dbraw/zinc/48/65/25/914486525.db2.gz GHHXAFWTGMCOLT-HZPDHXFCSA-N 1 2 290.407 1.668 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCC=C)C[C@H]21 ZINC001177087738 914486535 /nfs/dbraw/zinc/48/65/35/914486535.db2.gz GHHXAFWTGMCOLT-HZPDHXFCSA-N 1 2 290.407 1.668 20 30 CDEDLO C=CC[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](COCCOC)C2 ZINC001268967735 903289819 /nfs/dbraw/zinc/28/98/19/903289819.db2.gz DDFWNPLJHHNFKY-AWEZNQCLSA-N 1 2 296.411 1.353 20 30 CDEDLO C=CC[C@H](C)C(=O)N1CC2(C1)CC[N@H+](COCCOC)C2 ZINC001268967735 903289826 /nfs/dbraw/zinc/28/98/26/903289826.db2.gz DDFWNPLJHHNFKY-AWEZNQCLSA-N 1 2 296.411 1.353 20 30 CDEDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)C#Cc1ccc(F)cc1F ZINC001270929435 905455658 /nfs/dbraw/zinc/45/56/58/905455658.db2.gz OIDJTDBHVKCNTD-BETUJISGSA-N 1 2 276.286 1.231 20 30 CDEDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)C#Cc1ccc(F)cc1F ZINC001270929435 905455660 /nfs/dbraw/zinc/45/56/60/905455660.db2.gz OIDJTDBHVKCNTD-BETUJISGSA-N 1 2 276.286 1.231 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CCc3cccc(C#N)c3)C[C@@H]21 ZINC001272045434 907700257 /nfs/dbraw/zinc/70/02/57/907700257.db2.gz KHMQSXJUANYCRW-HOTGVXAUSA-N 1 2 299.374 1.032 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)CCc3cccc(C#N)c3)C[C@@H]21 ZINC001272045434 907700264 /nfs/dbraw/zinc/70/02/64/907700264.db2.gz KHMQSXJUANYCRW-HOTGVXAUSA-N 1 2 299.374 1.032 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(CC)n2)C1 ZINC001189318374 921426758 /nfs/dbraw/zinc/42/67/58/921426758.db2.gz KOGRQRCHBROGHV-HNNXBMFYSA-N 1 2 290.411 1.902 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)Cc2ccn(CC)n2)C1 ZINC001189318374 921426763 /nfs/dbraw/zinc/42/67/63/921426763.db2.gz KOGRQRCHBROGHV-HNNXBMFYSA-N 1 2 290.411 1.902 20 30 CDEDLO C=C(C)C(=O)N1CCN(c2cc[nH+]c(OC)c2)CC1 ZINC001142511775 908837188 /nfs/dbraw/zinc/83/71/88/908837188.db2.gz UWQSWMIYWVXZOH-UHFFFAOYSA-N 1 2 261.325 1.315 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C1CC=CC1)c1nccn12 ZINC001092359592 909372690 /nfs/dbraw/zinc/37/26/90/909372690.db2.gz QXLPJEGBDBRLBT-AWEZNQCLSA-N 1 2 298.390 1.607 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(-c3ccccn3)n[nH]2)CC1 ZINC001189470079 921494169 /nfs/dbraw/zinc/49/41/69/921494169.db2.gz KLAQRAOHRSYAMZ-UHFFFAOYSA-N 1 2 297.362 1.416 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccn(C(F)F)n2)CC1 ZINC001189445176 921503360 /nfs/dbraw/zinc/50/33/60/921503360.db2.gz AINKZQNYKTYTND-UHFFFAOYSA-N 1 2 270.283 1.222 20 30 CDEDLO Cc1cnc(C[NH2+]CCNC(=O)C#CC(C)(C)C)o1 ZINC001126893450 909592539 /nfs/dbraw/zinc/59/25/39/909592539.db2.gz NTJHUAZPUOGVBB-UHFFFAOYSA-N 1 2 263.341 1.238 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](C)CC)CC2)C1 ZINC001093508999 909880067 /nfs/dbraw/zinc/88/00/67/909880067.db2.gz FRWMZSGDCSTZKG-ZDUSSCGKSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001093516660 909894162 /nfs/dbraw/zinc/89/41/62/909894162.db2.gz CNMGTLDPQWGSQJ-LBPRGKRZSA-N 1 2 277.368 1.024 20 30 CDEDLO Cc1nc(NCCNC(=O)[C@@H](C)C#N)c2c([nH+]1)CCCC2 ZINC001093528711 909909485 /nfs/dbraw/zinc/90/94/85/909909485.db2.gz MNTZFHVEDRGTAL-JTQLQIEISA-N 1 2 287.367 1.352 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CSC)CC2)C1 ZINC001093503578 909920331 /nfs/dbraw/zinc/92/03/31/909920331.db2.gz GGYIJOJVMQBEQG-UHFFFAOYSA-N 1 2 284.425 1.227 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CC34CC4)CC2)C1 ZINC001093577361 909978361 /nfs/dbraw/zinc/97/83/61/909978361.db2.gz MFFDSSHVUMDRPO-HNNXBMFYSA-N 1 2 290.407 1.664 20 30 CDEDLO C=C(C)CCC(=O)NCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001076794903 910052198 /nfs/dbraw/zinc/05/21/98/910052198.db2.gz XXQMEBJBMVJREH-LBPRGKRZSA-N 1 2 292.383 1.320 20 30 CDEDLO N#Cc1c(F)cccc1NCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001094150426 910369741 /nfs/dbraw/zinc/36/97/41/910369741.db2.gz FQPSZESGAXLDCB-UHFFFAOYSA-N 1 2 287.298 1.191 20 30 CDEDLO N#Cc1ccc(NCCCNC(=O)CCc2[nH]cc[nH+]2)cn1 ZINC001094406997 910605173 /nfs/dbraw/zinc/60/51/73/910605173.db2.gz WOKQIRAJMMYNEM-UHFFFAOYSA-N 1 2 298.350 1.227 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C1(F)CCOCC1 ZINC001483347834 910943058 /nfs/dbraw/zinc/94/30/58/910943058.db2.gz ZBIASXLFONTVTJ-NSHDSACASA-N 1 2 292.782 1.694 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C1(F)CCOCC1 ZINC001483347834 910943085 /nfs/dbraw/zinc/94/30/85/910943085.db2.gz ZBIASXLFONTVTJ-NSHDSACASA-N 1 2 292.782 1.694 20 30 CDEDLO C=CC(C)(C)C(=O)N(C)C[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001124683616 936330557 /nfs/dbraw/zinc/33/05/57/936330557.db2.gz LNBBHHPSHDGYEE-GFCCVEGCSA-N 1 2 292.383 1.228 20 30 CDEDLO Cc1cc(C#N)c(F)cc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001180762600 916628309 /nfs/dbraw/zinc/62/83/09/916628309.db2.gz SNZDAROZKCFGQE-CYBMUJFWSA-N 1 2 277.299 1.275 20 30 CDEDLO Cc1cc(C#N)c(F)cc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001180762600 916628317 /nfs/dbraw/zinc/62/83/17/916628317.db2.gz SNZDAROZKCFGQE-CYBMUJFWSA-N 1 2 277.299 1.275 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(C)=O)C2)c(C#N)c1 ZINC001137705882 936393261 /nfs/dbraw/zinc/39/32/61/936393261.db2.gz FMGFCCMKBGBETG-OAHLLOKOSA-N 1 2 287.363 1.619 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@@H](N(C)C(C)=O)C2)c(C#N)c1 ZINC001137705882 936393264 /nfs/dbraw/zinc/39/32/64/936393264.db2.gz FMGFCCMKBGBETG-OAHLLOKOSA-N 1 2 287.363 1.619 20 30 CDEDLO Cc1ccc2[nH+]cc(CN3CCC(=O)[C@H](C#N)C3)n2c1 ZINC001137310395 936458064 /nfs/dbraw/zinc/45/80/64/936458064.db2.gz VQKJNYGAEDDZLA-GFCCVEGCSA-N 1 2 268.320 1.557 20 30 CDEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H](C)CC)nn2)C1 ZINC001107131833 918167138 /nfs/dbraw/zinc/16/71/38/918167138.db2.gz AWOYCPAFUZGEPB-LBPRGKRZSA-N 1 2 291.399 1.373 20 30 CDEDLO C=CCO[C@H](C)C(=O)NC/C=C\CNc1cc[nH+]c(C)n1 ZINC001107236242 918292414 /nfs/dbraw/zinc/29/24/14/918292414.db2.gz QKBATKCOZDJSCI-FOQNGQEVSA-N 1 2 290.367 1.460 20 30 CDEDLO Cc1nc(N[C@@H](C)CNC(=O)Cc2[nH]cc[nH+]2)ccc1C#N ZINC001098006729 936506522 /nfs/dbraw/zinc/50/65/22/936506522.db2.gz LRHKHDOPNYCBFP-JTQLQIEISA-N 1 2 298.350 1.144 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001107732201 918704166 /nfs/dbraw/zinc/70/41/66/918704166.db2.gz BHXIDHYWROWKHF-WBVHZDCISA-N 1 2 290.407 1.573 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001107732201 918704173 /nfs/dbraw/zinc/70/41/73/918704173.db2.gz BHXIDHYWROWKHF-WBVHZDCISA-N 1 2 290.407 1.573 20 30 CDEDLO Cc1nc(NC[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)ccc1C#N ZINC001107900522 919019618 /nfs/dbraw/zinc/01/96/18/919019618.db2.gz RGPOGFCBVWDQJE-SNVBAGLBSA-N 1 2 298.350 1.144 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2ncccc2F)C1=O ZINC001272796365 919309734 /nfs/dbraw/zinc/30/97/34/919309734.db2.gz YWJPMNCTCBRXGI-MRXNPFEDSA-N 1 2 289.354 1.974 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2ncccc2F)C1=O ZINC001272796365 919309748 /nfs/dbraw/zinc/30/97/48/919309748.db2.gz YWJPMNCTCBRXGI-MRXNPFEDSA-N 1 2 289.354 1.974 20 30 CDEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)/C(C)=C\C)C2)CC1 ZINC001052010092 936575570 /nfs/dbraw/zinc/57/55/70/936575570.db2.gz SOYUPYOOPWRSLY-DNBBOTNYSA-N 1 2 289.423 1.194 20 30 CDEDLO CC[C@@H](CC#N)[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC001255174591 936585264 /nfs/dbraw/zinc/58/52/64/936585264.db2.gz YVEHTYFGWWIUMD-NSHDSACASA-N 1 2 273.402 1.034 20 30 CDEDLO N#CCC1C[NH+](Cc2ccc(N3CCOCC3)nc2)C1 ZINC001139428548 936619369 /nfs/dbraw/zinc/61/93/69/936619369.db2.gz GLSHZBKPFDTLNW-UHFFFAOYSA-N 1 2 272.352 1.264 20 30 CDEDLO N#Cc1ccc(CN2CCc3[nH+]ccn3CC2)cc1F ZINC001139529364 936626836 /nfs/dbraw/zinc/62/68/36/936626836.db2.gz OZFJYCPEVXMWMZ-UHFFFAOYSA-N 1 2 270.311 1.952 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)C(C)(C)C)C1 ZINC001108028486 920100734 /nfs/dbraw/zinc/10/07/34/920100734.db2.gz GNHCCXXKKUDUDS-YOEHRIQHSA-N 1 2 294.439 1.899 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)C(C)(C)C)C1 ZINC001108028486 920100743 /nfs/dbraw/zinc/10/07/43/920100743.db2.gz GNHCCXXKKUDUDS-YOEHRIQHSA-N 1 2 294.439 1.899 20 30 CDEDLO C=CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccco1 ZINC001186874691 920192917 /nfs/dbraw/zinc/19/29/17/920192917.db2.gz IFPJHEFNHOKOPX-NSHDSACASA-N 1 2 270.354 1.208 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(C)c(OC)c2)CC1 ZINC001140159943 936683271 /nfs/dbraw/zinc/68/32/71/936683271.db2.gz DLTINZCUGBDSRH-UHFFFAOYSA-N 1 2 258.365 1.754 20 30 CDEDLO C=C(C)Cc1ccc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001190231604 921910297 /nfs/dbraw/zinc/91/02/97/921910297.db2.gz IZIFOCFHIVUILT-MRXNPFEDSA-N 1 2 288.391 1.866 20 30 CDEDLO C=C(C)Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001190231604 921910307 /nfs/dbraw/zinc/91/03/07/921910307.db2.gz IZIFOCFHIVUILT-MRXNPFEDSA-N 1 2 288.391 1.866 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCOC3(CCOCC3)C2)cn1 ZINC001140545965 936723318 /nfs/dbraw/zinc/72/33/18/936723318.db2.gz RFTXIIZMYMEHMB-UHFFFAOYSA-N 1 2 273.336 1.335 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCOC3(CCOCC3)C2)cn1 ZINC001140545965 936723319 /nfs/dbraw/zinc/72/33/19/936723319.db2.gz RFTXIIZMYMEHMB-UHFFFAOYSA-N 1 2 273.336 1.335 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC(C)(C)COC)C1 ZINC001108094745 922036072 /nfs/dbraw/zinc/03/60/72/922036072.db2.gz ZFORTFPYFGQTAA-INIZCTEOSA-N 1 2 298.427 1.442 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CC(C)(C)COC)C1 ZINC001108094745 922036089 /nfs/dbraw/zinc/03/60/89/922036089.db2.gz ZFORTFPYFGQTAA-INIZCTEOSA-N 1 2 298.427 1.442 20 30 CDEDLO C=CCC1(S(=O)(=O)NCc2c[nH+]cn2CC2CC2)CC1 ZINC001190843860 922246066 /nfs/dbraw/zinc/24/60/66/922246066.db2.gz PDEFXLLNENVDCX-UHFFFAOYSA-N 1 2 295.408 1.821 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1OC)C2 ZINC001098256959 936747679 /nfs/dbraw/zinc/74/76/79/936747679.db2.gz SEXLCGLSVHZQIC-UTUOFQBUSA-N 1 2 290.388 1.725 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1OC)C2 ZINC001098256959 936747680 /nfs/dbraw/zinc/74/76/80/936747680.db2.gz SEXLCGLSVHZQIC-UTUOFQBUSA-N 1 2 290.388 1.725 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnon2)C1 ZINC001099087790 936778689 /nfs/dbraw/zinc/77/86/89/936778689.db2.gz MAZMRXBFNWVJJX-GWCFXTLKSA-N 1 2 296.758 1.406 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnon2)C1 ZINC001099087790 936778691 /nfs/dbraw/zinc/77/86/91/936778691.db2.gz MAZMRXBFNWVJJX-GWCFXTLKSA-N 1 2 296.758 1.406 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC(C)(C)C)[C@@H](O)C1 ZINC001099680898 922771203 /nfs/dbraw/zinc/77/12/03/922771203.db2.gz IHOLOJZXCSADGY-NEPJUHHUSA-N 1 2 288.819 1.727 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C)[C@@H](O)C1 ZINC001099680898 922771215 /nfs/dbraw/zinc/77/12/15/922771215.db2.gz IHOLOJZXCSADGY-NEPJUHHUSA-N 1 2 288.819 1.727 20 30 CDEDLO CC1(C)CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)N(CC#N)C1 ZINC001099285830 936784713 /nfs/dbraw/zinc/78/47/13/936784713.db2.gz IQNSFIKRIXTQRO-LBPRGKRZSA-N 1 2 289.383 1.083 20 30 CDEDLO CCN(C(=O)c1c(F)cc(C#N)cc1F)C1C[NH+](C)C1 ZINC001191927634 922813608 /nfs/dbraw/zinc/81/36/08/922813608.db2.gz IOJHZXAQWGYFBN-UHFFFAOYSA-N 1 2 279.290 1.613 20 30 CDEDLO N#Cc1ccc(N2CCC[N@H+](Cc3ncco3)CC2)nc1 ZINC001141007288 936790516 /nfs/dbraw/zinc/79/05/16/936790516.db2.gz GEOJDEPRDSRZSA-UHFFFAOYSA-N 1 2 283.335 1.654 20 30 CDEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3ncco3)CC2)nc1 ZINC001141007288 936790517 /nfs/dbraw/zinc/79/05/17/936790517.db2.gz GEOJDEPRDSRZSA-UHFFFAOYSA-N 1 2 283.335 1.654 20 30 CDEDLO C/C=C(\C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001192120379 922912368 /nfs/dbraw/zinc/91/23/68/922912368.db2.gz WRGXQFMSPOFKPD-HQNIWNILSA-N 1 2 299.374 1.186 20 30 CDEDLO C/C=C(\C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001192120379 922912381 /nfs/dbraw/zinc/91/23/81/922912381.db2.gz WRGXQFMSPOFKPD-HQNIWNILSA-N 1 2 299.374 1.186 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2c(C)cccc2F)C1 ZINC001035619207 923011120 /nfs/dbraw/zinc/01/11/20/923011120.db2.gz XBTOVMRKWPMSTJ-ZDUSSCGKSA-N 1 2 292.354 1.751 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2c(C)cccc2F)C1 ZINC001035619207 923011134 /nfs/dbraw/zinc/01/11/34/923011134.db2.gz XBTOVMRKWPMSTJ-ZDUSSCGKSA-N 1 2 292.354 1.751 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(CC)CC)[C@H](O)C1 ZINC001099692999 936800696 /nfs/dbraw/zinc/80/06/96/936800696.db2.gz KFILZGOGBVDHDO-CHWSQXEVSA-N 1 2 288.819 1.727 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(CC)CC)[C@H](O)C1 ZINC001099692999 936800698 /nfs/dbraw/zinc/80/06/98/936800698.db2.gz KFILZGOGBVDHDO-CHWSQXEVSA-N 1 2 288.819 1.727 20 30 CDEDLO C[C@@H](C#N)S(=O)(=O)NCc1c[nH+]cn1CC1CCC1 ZINC001193178544 923543858 /nfs/dbraw/zinc/54/38/58/923543858.db2.gz KNJSVZFIZQMWGL-JTQLQIEISA-N 1 2 282.369 1.015 20 30 CDEDLO CCCSCC(=O)N1CCC[N@H+](CC#CCOC)CC1 ZINC001195063207 924449585 /nfs/dbraw/zinc/44/95/85/924449585.db2.gz KUFBBUAUSIUPLE-UHFFFAOYSA-N 1 2 298.452 1.314 20 30 CDEDLO CCCSCC(=O)N1CCC[N@@H+](CC#CCOC)CC1 ZINC001195063207 924449589 /nfs/dbraw/zinc/44/95/89/924449589.db2.gz KUFBBUAUSIUPLE-UHFFFAOYSA-N 1 2 298.452 1.314 20 30 CDEDLO C=CCOCCCC(=O)N1CCC[N@@H+](CCF)CC1 ZINC001195452008 924597870 /nfs/dbraw/zinc/59/78/70/924597870.db2.gz KDNQZUZCSMFNJO-UHFFFAOYSA-N 1 2 272.364 1.473 20 30 CDEDLO C=CCOCCCC(=O)N1CCC[N@H+](CCF)CC1 ZINC001195452008 924597875 /nfs/dbraw/zinc/59/78/75/924597875.db2.gz KDNQZUZCSMFNJO-UHFFFAOYSA-N 1 2 272.364 1.473 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)/C(C)=C/CC)[C@H](O)C1 ZINC001099718731 924641812 /nfs/dbraw/zinc/64/18/12/924641812.db2.gz QEFBMNKCMXTHJQ-GWKFAAHWSA-N 1 2 286.803 1.647 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)/C(C)=C/CC)[C@H](O)C1 ZINC001099718731 924641818 /nfs/dbraw/zinc/64/18/18/924641818.db2.gz QEFBMNKCMXTHJQ-GWKFAAHWSA-N 1 2 286.803 1.647 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccnc(C)n2)C1 ZINC001080960968 924668082 /nfs/dbraw/zinc/66/80/82/924668082.db2.gz PBUAFSPUOITXLT-NOZJJQNGSA-N 1 2 294.786 1.588 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccnc(C)n2)C1 ZINC001080960968 924668090 /nfs/dbraw/zinc/66/80/90/924668090.db2.gz PBUAFSPUOITXLT-NOZJJQNGSA-N 1 2 294.786 1.588 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)oc2C)[C@H](OC)C1 ZINC001081348221 924737094 /nfs/dbraw/zinc/73/70/94/924737094.db2.gz YOCNGYSMWSFGDN-HUUCEWRRSA-N 1 2 290.363 1.349 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)oc2C)[C@H](OC)C1 ZINC001081348221 924737101 /nfs/dbraw/zinc/73/71/01/924737101.db2.gz YOCNGYSMWSFGDN-HUUCEWRRSA-N 1 2 290.363 1.349 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)c(CC)o2)[C@H](OC)C1 ZINC001082323383 924898922 /nfs/dbraw/zinc/89/89/22/924898922.db2.gz RYOHHHVOJQRPKD-IUODEOHRSA-N 1 2 290.363 1.213 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(CC)o2)[C@H](OC)C1 ZINC001082323383 924898932 /nfs/dbraw/zinc/89/89/32/924898932.db2.gz RYOHHHVOJQRPKD-IUODEOHRSA-N 1 2 290.363 1.213 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC(C)C)OC)C1 ZINC001108192873 925001629 /nfs/dbraw/zinc/00/16/29/925001629.db2.gz UOQURWPGJZYJFR-HOCLYGCPSA-N 1 2 298.427 1.441 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC(C)C)OC)C1 ZINC001108192873 925001636 /nfs/dbraw/zinc/00/16/36/925001636.db2.gz UOQURWPGJZYJFR-HOCLYGCPSA-N 1 2 298.427 1.441 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC34CC4)[C@H]2C1 ZINC001083119929 925096284 /nfs/dbraw/zinc/09/62/84/925096284.db2.gz QUZMBOHVCAESNW-SOUVJXGZSA-N 1 2 288.391 1.112 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC34CC4)[C@H]2C1 ZINC001083119929 925096294 /nfs/dbraw/zinc/09/62/94/925096294.db2.gz QUZMBOHVCAESNW-SOUVJXGZSA-N 1 2 288.391 1.112 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CCCCC)C(C)C)C1 ZINC001197583196 925178396 /nfs/dbraw/zinc/17/83/96/925178396.db2.gz NSXQDQWELAUAFK-BZUAXINKSA-N 1 2 294.439 1.633 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CCCCC)C(C)C)C1 ZINC001197583196 925178403 /nfs/dbraw/zinc/17/84/03/925178403.db2.gz NSXQDQWELAUAFK-BZUAXINKSA-N 1 2 294.439 1.633 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)[C@@H]3C2)on1 ZINC001084235718 925196254 /nfs/dbraw/zinc/19/62/54/925196254.db2.gz LNFNBHFKPHXRPP-MPKXVKKWSA-N 1 2 288.351 1.175 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)[C@@H]3C2)on1 ZINC001084235718 925196263 /nfs/dbraw/zinc/19/62/63/925196263.db2.gz LNFNBHFKPHXRPP-MPKXVKKWSA-N 1 2 288.351 1.175 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNC(=S)Nc2cccc(C#N)c2)C1 ZINC001197724292 925205835 /nfs/dbraw/zinc/20/58/35/925205835.db2.gz ZVUMIMZCEJTSCU-ZDUSSCGKSA-N 1 2 290.392 1.175 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNC(=S)Nc2cccc(C#N)c2)C1 ZINC001197724292 925205846 /nfs/dbraw/zinc/20/58/46/925205846.db2.gz ZVUMIMZCEJTSCU-ZDUSSCGKSA-N 1 2 290.392 1.175 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](OC)C3CC3)[C@@H]2C1 ZINC001084315542 925224287 /nfs/dbraw/zinc/22/42/87/925224287.db2.gz BWGMHCZRXWORNO-MGPQQGTHSA-N 1 2 298.814 1.697 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](OC)C3CC3)[C@@H]2C1 ZINC001084315542 925224294 /nfs/dbraw/zinc/22/42/94/925224294.db2.gz BWGMHCZRXWORNO-MGPQQGTHSA-N 1 2 298.814 1.697 20 30 CDEDLO Cc1nc(NCCN(C)C(=O)Cn2cc[nH+]c2)ccc1C#N ZINC001101672733 936999997 /nfs/dbraw/zinc/99/99/97/936999997.db2.gz CHYQLPTYKJYKAA-UHFFFAOYSA-N 1 2 298.350 1.029 20 30 CDEDLO C#Cc1ccc(C(=O)N(C)CCNc2cc[nH+]c(C)n2)cc1 ZINC001101884708 937022850 /nfs/dbraw/zinc/02/28/50/937022850.db2.gz VVWFXKBBJMRTDY-UHFFFAOYSA-N 1 2 294.358 1.950 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CN(C)C(C)=O ZINC001085446164 925975097 /nfs/dbraw/zinc/97/50/97/925975097.db2.gz XSPHWYFYJXPZDC-OAHLLOKOSA-N 1 2 287.363 1.619 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CN(C)C(C)=O ZINC001085446164 925975109 /nfs/dbraw/zinc/97/51/09/925975109.db2.gz XSPHWYFYJXPZDC-OAHLLOKOSA-N 1 2 287.363 1.619 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1OCC[C@H]1C(C)C ZINC001085601229 926195482 /nfs/dbraw/zinc/19/54/82/926195482.db2.gz QRDVVJOQGPVKBJ-KKUMJFAQSA-N 1 2 278.396 1.213 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1OCC[C@H]1C(C)C ZINC001085601229 926195487 /nfs/dbraw/zinc/19/54/87/926195487.db2.gz QRDVVJOQGPVKBJ-KKUMJFAQSA-N 1 2 278.396 1.213 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2c1COCC2 ZINC001085637864 926244567 /nfs/dbraw/zinc/24/45/67/926244567.db2.gz BKGZPJKBYLIALC-OAHLLOKOSA-N 1 2 298.386 1.539 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2c1COCC2 ZINC001085637864 926244572 /nfs/dbraw/zinc/24/45/72/926244572.db2.gz BKGZPJKBYLIALC-OAHLLOKOSA-N 1 2 298.386 1.539 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]nc1C(C)C ZINC001085691053 926288401 /nfs/dbraw/zinc/28/84/01/926288401.db2.gz WJKBIWLNSARKCZ-GFCCVEGCSA-N 1 2 274.368 1.313 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]nc1C(C)C ZINC001085691053 926288412 /nfs/dbraw/zinc/28/84/12/926288412.db2.gz WJKBIWLNSARKCZ-GFCCVEGCSA-N 1 2 274.368 1.313 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1snnc1CC ZINC001085704122 926303383 /nfs/dbraw/zinc/30/33/83/926303383.db2.gz IAJRNGYCSWKSJX-LLVKDONJSA-N 1 2 294.424 1.823 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1snnc1CC ZINC001085704122 926303391 /nfs/dbraw/zinc/30/33/91/926303391.db2.gz IAJRNGYCSWKSJX-LLVKDONJSA-N 1 2 294.424 1.823 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C(C)C)cn1 ZINC001085814954 926420945 /nfs/dbraw/zinc/42/09/45/926420945.db2.gz LIHKDMRABKOKID-HNNXBMFYSA-N 1 2 285.391 1.985 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C(C)C)cn1 ZINC001085814954 926420950 /nfs/dbraw/zinc/42/09/50/926420950.db2.gz LIHKDMRABKOKID-HNNXBMFYSA-N 1 2 285.391 1.985 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1sc(C)cc1OC ZINC001085854738 926457427 /nfs/dbraw/zinc/45/74/27/926457427.db2.gz GPHKERDRSHSVEY-GFCCVEGCSA-N 1 2 292.404 1.845 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1sc(C)cc1OC ZINC001085854738 926457431 /nfs/dbraw/zinc/45/74/31/926457431.db2.gz GPHKERDRSHSVEY-GFCCVEGCSA-N 1 2 292.404 1.845 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nccs1 ZINC001085889662 926479283 /nfs/dbraw/zinc/47/92/83/926479283.db2.gz FMGFNZYFYVOPIA-JTQLQIEISA-N 1 2 251.355 1.475 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nccs1 ZINC001085889662 926479288 /nfs/dbraw/zinc/47/92/88/926479288.db2.gz FMGFNZYFYVOPIA-JTQLQIEISA-N 1 2 251.355 1.475 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(CC2CC2)c1 ZINC001085914518 926500789 /nfs/dbraw/zinc/50/07/89/926500789.db2.gz BQXJRUOUTNUQLH-OAHLLOKOSA-N 1 2 286.379 1.073 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(CC2CC2)c1 ZINC001085914518 926500793 /nfs/dbraw/zinc/50/07/93/926500793.db2.gz BQXJRUOUTNUQLH-OAHLLOKOSA-N 1 2 286.379 1.073 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(CC)on1 ZINC001085933357 926518541 /nfs/dbraw/zinc/51/85/41/926518541.db2.gz XEZJBZJGFCPFQM-NSHDSACASA-N 1 2 261.325 1.017 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(CC)on1 ZINC001085933357 926518550 /nfs/dbraw/zinc/51/85/50/926518550.db2.gz XEZJBZJGFCPFQM-NSHDSACASA-N 1 2 261.325 1.017 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C2CC2)cn1 ZINC001085952116 926538303 /nfs/dbraw/zinc/53/83/03/926538303.db2.gz UHKNHRRLAOJBAR-HNNXBMFYSA-N 1 2 283.375 1.739 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C2CC2)cn1 ZINC001085952116 926538310 /nfs/dbraw/zinc/53/83/10/926538310.db2.gz UHKNHRRLAOJBAR-HNNXBMFYSA-N 1 2 283.375 1.739 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc(CC)s1 ZINC001085996603 926576986 /nfs/dbraw/zinc/57/69/86/926576986.db2.gz RTBBEAPSGCLLOT-LBPRGKRZSA-N 1 2 291.420 1.875 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc(CC)s1 ZINC001085996603 926576991 /nfs/dbraw/zinc/57/69/91/926576991.db2.gz RTBBEAPSGCLLOT-LBPRGKRZSA-N 1 2 291.420 1.875 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(N[C@@H]3C=CS(=O)(=O)C3)c2c1 ZINC001156061652 927281470 /nfs/dbraw/zinc/28/14/70/927281470.db2.gz BYBPXMWLFLSLFI-GFCCVEGCSA-N 1 2 285.328 1.829 20 30 CDEDLO O=C1C=C2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@H]2S1 ZINC001169025864 927662705 /nfs/dbraw/zinc/66/27/05/927662705.db2.gz ZKHGIPCUGCYLBK-MVWJERBFSA-N 1 2 282.365 1.706 20 30 CDEDLO O=C1C=C2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@H]2S1 ZINC001169025864 927662709 /nfs/dbraw/zinc/66/27/09/927662709.db2.gz ZKHGIPCUGCYLBK-MVWJERBFSA-N 1 2 282.365 1.706 20 30 CDEDLO CC[N@H+](Cc1coc(C)n1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153233227 928431351 /nfs/dbraw/zinc/43/13/51/928431351.db2.gz XTLDWZXIZUOPDJ-GFCCVEGCSA-N 1 2 289.379 1.723 20 30 CDEDLO CC[N@@H+](Cc1coc(C)n1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153233227 928431354 /nfs/dbraw/zinc/43/13/54/928431354.db2.gz XTLDWZXIZUOPDJ-GFCCVEGCSA-N 1 2 289.379 1.723 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3cn(C)nc3c2)CC1 ZINC001151511330 937293049 /nfs/dbraw/zinc/29/30/49/937293049.db2.gz GCWITJJJLMPXOU-UHFFFAOYSA-N 1 2 284.363 1.517 20 30 CDEDLO O=C(NC1=CC(=O)CCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001151976828 937323739 /nfs/dbraw/zinc/32/37/39/937323739.db2.gz NJRGFXMJBXGTQT-UHFFFAOYSA-N 1 2 255.277 1.930 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)COCc2ccc(C)cc2)CC1 ZINC001112929696 929576853 /nfs/dbraw/zinc/57/68/53/929576853.db2.gz IUAHSAUADUTZHW-UHFFFAOYSA-N 1 2 288.391 1.842 20 30 CDEDLO C=CCNC(=O)Nc1cc[nH+]c(N2CCOCC2)c1 ZINC001202558705 930286977 /nfs/dbraw/zinc/28/69/77/930286977.db2.gz ABIKLDXNMUWBSS-UHFFFAOYSA-N 1 2 262.313 1.226 20 30 CDEDLO C=C[C@H]1C[C@]1(Nc1c[nH+]c2c(c1)CCCN2)C(=O)OCC ZINC001170926488 930796298 /nfs/dbraw/zinc/79/62/98/930796298.db2.gz CCFKKCLNDJVKOZ-BLLLJJGKSA-N 1 2 287.363 1.647 20 30 CDEDLO C=C[C@H](COC)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001116617786 937460636 /nfs/dbraw/zinc/46/06/36/937460636.db2.gz WWCTUISZMUTLGG-CYBMUJFWSA-N 1 2 290.367 1.114 20 30 CDEDLO C=CC[C@H]1NC(=O)N(CCCNc2cccc[nH+]2)C1=O ZINC001116768431 937470168 /nfs/dbraw/zinc/47/01/68/937470168.db2.gz MHECVSYIPRZXSA-LLVKDONJSA-N 1 2 274.324 1.380 20 30 CDEDLO N#CCC[N@H+]1CCCC[C@@]12CC(=O)N(Cc1cnoc1)C2 ZINC001274032665 931132143 /nfs/dbraw/zinc/13/21/43/931132143.db2.gz USHOOOTZDLBCRR-HNNXBMFYSA-N 1 2 288.351 1.545 20 30 CDEDLO N#CCC[N@@H+]1CCCC[C@@]12CC(=O)N(Cc1cnoc1)C2 ZINC001274032665 931132146 /nfs/dbraw/zinc/13/21/46/931132146.db2.gz USHOOOTZDLBCRR-HNNXBMFYSA-N 1 2 288.351 1.545 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@H+](Cc3nnc[nH]3)CC2)C1=O ZINC001274354918 931492928 /nfs/dbraw/zinc/49/29/28/931492928.db2.gz YCGLRBKAGADPOF-HNNXBMFYSA-N 1 2 289.383 1.195 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3nnc[nH]3)CC2)C1=O ZINC001274354918 931492930 /nfs/dbraw/zinc/49/29/30/931492930.db2.gz YCGLRBKAGADPOF-HNNXBMFYSA-N 1 2 289.383 1.195 20 30 CDEDLO C=CC[C@H](C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001144014930 931626129 /nfs/dbraw/zinc/62/61/29/931626129.db2.gz XYSVGODEFOUVFE-ZDUSSCGKSA-N 1 2 292.383 1.366 20 30 CDEDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1c(F)cc(C#N)cc1Cl ZINC001275314491 931732374 /nfs/dbraw/zinc/73/23/74/931732374.db2.gz NFZMLZRYUQHVKJ-AOOOYVTPSA-N 1 2 293.729 1.879 20 30 CDEDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1c(F)cc(C#N)cc1Cl ZINC001275314491 931732376 /nfs/dbraw/zinc/73/23/76/931732376.db2.gz NFZMLZRYUQHVKJ-AOOOYVTPSA-N 1 2 293.729 1.879 20 30 CDEDLO COc1ccc(C#N)c(C(=O)N2CC3(CC[N@@H+]3C)C2)c1 ZINC001275566986 931883652 /nfs/dbraw/zinc/88/36/52/931883652.db2.gz HINTYPBIVNNPBT-UHFFFAOYSA-N 1 2 271.320 1.097 20 30 CDEDLO COc1ccc(C#N)c(C(=O)N2CC3(CC[N@H+]3C)C2)c1 ZINC001275566986 931883655 /nfs/dbraw/zinc/88/36/55/931883655.db2.gz HINTYPBIVNNPBT-UHFFFAOYSA-N 1 2 271.320 1.097 20 30 CDEDLO Cc1nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@H](C)C#N)cc[nH+]1 ZINC001091241901 932044144 /nfs/dbraw/zinc/04/41/44/932044144.db2.gz DOTMPOFMFURIME-RAIGVLPGSA-N 1 2 287.367 1.784 20 30 CDEDLO NC(=O)c1ccc(C(=[NH2+])Nc2cc3ncnc-3c[nH]2)cc1 ZINC001171253045 932142923 /nfs/dbraw/zinc/14/29/23/932142923.db2.gz FFTWYBWFVBPUIH-UHFFFAOYSA-N 1 2 280.291 1.094 20 30 CDEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCn4nncc4C3)c12 ZINC001154821172 937591560 /nfs/dbraw/zinc/59/15/60/937591560.db2.gz BRXJSMFETIVSLA-UHFFFAOYSA-N 1 2 265.280 1.046 20 30 CDEDLO Cc1nc(NC2CC(CNC(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001092214519 932927122 /nfs/dbraw/zinc/92/71/22/932927122.db2.gz WKYACJCHDHKKEG-UHFFFAOYSA-N 1 2 286.379 1.751 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(N)=O ZINC001111072186 933921240 /nfs/dbraw/zinc/92/12/40/933921240.db2.gz FQULKZXUVNTKPR-LPWJVIDDSA-N 1 2 293.411 1.184 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(N)=O ZINC001111072186 933921241 /nfs/dbraw/zinc/92/12/41/933921241.db2.gz FQULKZXUVNTKPR-LPWJVIDDSA-N 1 2 293.411 1.184 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccncc1CC ZINC001038430877 935744934 /nfs/dbraw/zinc/74/49/34/935744934.db2.gz XOASKLMGDAAEHH-AWEZNQCLSA-N 1 2 271.364 1.471 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccncc1CC ZINC001038430877 935744936 /nfs/dbraw/zinc/74/49/36/935744936.db2.gz XOASKLMGDAAEHH-AWEZNQCLSA-N 1 2 271.364 1.471 20 30 CDEDLO Cc1nc(N2CC[C@@H](NC(=O)C#CC(C)(C)C)C2)cc[nH+]1 ZINC001096365131 936052317 /nfs/dbraw/zinc/05/23/17/936052317.db2.gz TZWQLXAVWZROEG-CYBMUJFWSA-N 1 2 286.379 1.529 20 30 CDEDLO COc1ccc2ccc(N3CC[NH2+]C[C@@H]3C#N)nc2c1 ZINC001156320033 938351114 /nfs/dbraw/zinc/35/11/14/938351114.db2.gz NBRAZJNQCWDNQF-LBPRGKRZSA-N 1 2 268.320 1.545 20 30 CDEDLO C#CCCCCC(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001156811172 938420158 /nfs/dbraw/zinc/42/01/58/938420158.db2.gz CITTWLHTOPXMNM-UHFFFAOYSA-N 1 2 292.383 1.422 20 30 CDEDLO Cc1nc(NC(=N)c2nccs2)cc(N2CCCC2)[nH+]1 ZINC001157489827 938501685 /nfs/dbraw/zinc/50/16/85/938501685.db2.gz DPJBJHOIGKRCEB-UHFFFAOYSA-N 1 2 288.380 1.879 20 30 CDEDLO CN(c1cc(CC#N)cc[nH+]1)[C@@H]1CCC2(C1)OCCO2 ZINC001157721713 938536251 /nfs/dbraw/zinc/53/62/51/938536251.db2.gz BSDGTHPBKFIDLU-CYBMUJFWSA-N 1 2 273.336 1.879 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@H]2C[C@]21C(=O)N1CC=CC1 ZINC001278239359 945197862 /nfs/dbraw/zinc/19/78/62/945197862.db2.gz NWTBDFSSLQTHBF-FUHWJXTLSA-N 1 2 293.370 1.921 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H]2C[C@]21C(=O)N1CC=CC1 ZINC001278239359 945197866 /nfs/dbraw/zinc/19/78/66/945197866.db2.gz NWTBDFSSLQTHBF-FUHWJXTLSA-N 1 2 293.370 1.921 20 30 CDEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1cc2ccccc2c[nH+]1 ZINC001160173492 938772863 /nfs/dbraw/zinc/77/28/63/938772863.db2.gz LHBRTAQHLKGIKZ-ZANVPECISA-N 1 2 257.293 1.883 20 30 CDEDLO Cc1cnc(NC2CN(c3cccc[nH+]3)C2)c(C#N)c1 ZINC001161319002 938888027 /nfs/dbraw/zinc/88/80/27/938888027.db2.gz FVQZGBKUYLRAAA-UHFFFAOYSA-N 1 2 265.320 1.957 20 30 CDEDLO N#Cc1c[nH]c2ncnc(NC3CN(c4cccc[nH+]4)C3)c12 ZINC001161318902 938888394 /nfs/dbraw/zinc/88/83/94/938888394.db2.gz AFDAIEBEORQELW-UHFFFAOYSA-N 1 2 291.318 1.525 20 30 CDEDLO COc1nc(NCc2c[nH+]cn2C(C)C)ncc1C#N ZINC001161562743 938913048 /nfs/dbraw/zinc/91/30/48/938913048.db2.gz CFMASLIROCGKFW-UHFFFAOYSA-N 1 2 272.312 1.746 20 30 CDEDLO Cc1nc(Cl)c(C#N)c(NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC001162683737 939115350 /nfs/dbraw/zinc/11/53/50/939115350.db2.gz YWAZWIHQHICTBP-SECBINFHSA-N 1 2 281.747 1.053 20 30 CDEDLO Cc1nc(Cl)c(C#N)c(NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001162683737 939115351 /nfs/dbraw/zinc/11/53/51/939115351.db2.gz YWAZWIHQHICTBP-SECBINFHSA-N 1 2 281.747 1.053 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(OCC)ncc2F)CC1 ZINC001238731429 945237347 /nfs/dbraw/zinc/23/73/47/945237347.db2.gz HKZLYTIOTLTMAP-UHFFFAOYSA-N 1 2 277.343 1.370 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001164346139 939460476 /nfs/dbraw/zinc/46/04/76/939460476.db2.gz LNFHVXLSSSRRTI-LBPRGKRZSA-N 1 2 294.399 1.830 20 30 CDEDLO Cc1cnc(N2CC[NH2+]CC(F)(F)C2)c(C#N)c1 ZINC001164488591 939478251 /nfs/dbraw/zinc/47/82/51/939478251.db2.gz IADCGMSAMDIRAP-UHFFFAOYSA-N 1 2 252.268 1.307 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1c1csc2ncnc(Cl)c12 ZINC001164640502 939500854 /nfs/dbraw/zinc/50/08/54/939500854.db2.gz AZVFSZNBKQSIGB-SSDOTTSWSA-N 1 2 279.756 1.646 20 30 CDEDLO N#Cc1cnc2cnc(Cl)cc2c1N1CC[NH2+]C[C@H]1C#N ZINC001164642533 939501444 /nfs/dbraw/zinc/50/14/44/939501444.db2.gz XCHNPJMJOKMRTD-SNVBAGLBSA-N 1 2 298.737 1.457 20 30 CDEDLO Cc1c(Cl)cnc(Cl)c1N1CC[NH2+]C[C@H]1C#N ZINC001164650848 939501962 /nfs/dbraw/zinc/50/19/62/939501962.db2.gz CPBOFCRFCLOTSC-MRVPVSSYSA-N 1 2 271.151 1.999 20 30 CDEDLO COC(=O)c1cc2ccccc2c(N2CC[NH2+]C[C@H]2C#N)n1 ZINC001164661423 939502855 /nfs/dbraw/zinc/50/28/55/939502855.db2.gz LUGRUUQXKOLYIM-GFCCVEGCSA-N 1 2 296.330 1.323 20 30 CDEDLO N#CCc1ccc[nH+]c1NCc1ccccc1C(N)=O ZINC001166166865 939596324 /nfs/dbraw/zinc/59/63/24/939596324.db2.gz XNTROCSLXWMHHY-UHFFFAOYSA-N 1 2 266.304 1.859 20 30 CDEDLO C#Cc1cc(Nc2cnn([C@H]3CCOC3)c2)cc[nH+]1 ZINC001205153304 939830316 /nfs/dbraw/zinc/83/03/16/939830316.db2.gz CUIXOECDSGYZNN-AWEZNQCLSA-N 1 2 254.293 1.386 20 30 CDEDLO C#CC[NH2+]CC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001205344827 939883177 /nfs/dbraw/zinc/88/31/77/939883177.db2.gz HMGPLEFIXRVVKN-JTQLQIEISA-N 1 2 280.265 1.348 20 30 CDEDLO C#CC[NH2+]CC1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001205344827 939883183 /nfs/dbraw/zinc/88/31/83/939883183.db2.gz HMGPLEFIXRVVKN-JTQLQIEISA-N 1 2 280.265 1.348 20 30 CDEDLO N#Cc1cc(C[NH+]2CCN(c3ccncn3)CC2)ccc1F ZINC001205496683 939894009 /nfs/dbraw/zinc/89/40/09/939894009.db2.gz LBQGRWGKFRAYME-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2nocc2C)C[C@H]1C ZINC001206613682 940071540 /nfs/dbraw/zinc/07/15/40/940071540.db2.gz BRPAZKZHMZURAL-DGCLKSJQSA-N 1 2 293.367 1.122 20 30 CDEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2nocc2C)C[C@H]1C ZINC001206613682 940071542 /nfs/dbraw/zinc/07/15/42/940071542.db2.gz BRPAZKZHMZURAL-DGCLKSJQSA-N 1 2 293.367 1.122 20 30 CDEDLO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001207029322 940132095 /nfs/dbraw/zinc/13/20/95/940132095.db2.gz HXGSMAMMXDRFPQ-BBBLOLIVSA-N 1 2 280.265 1.347 20 30 CDEDLO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001207029322 940132098 /nfs/dbraw/zinc/13/20/98/940132098.db2.gz HXGSMAMMXDRFPQ-BBBLOLIVSA-N 1 2 280.265 1.347 20 30 CDEDLO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001207029322 940132101 /nfs/dbraw/zinc/13/21/01/940132101.db2.gz HXGSMAMMXDRFPQ-BBBLOLIVSA-N 1 2 280.265 1.347 20 30 CDEDLO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001207029322 940132105 /nfs/dbraw/zinc/13/21/05/940132105.db2.gz HXGSMAMMXDRFPQ-BBBLOLIVSA-N 1 2 280.265 1.347 20 30 CDEDLO C#CCC[NH2+][C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001208084043 940286610 /nfs/dbraw/zinc/28/66/10/940286610.db2.gz JVALWENWBZMVNY-ZJUUUORDSA-N 1 2 280.265 1.491 20 30 CDEDLO C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001208084043 940286613 /nfs/dbraw/zinc/28/66/13/940286613.db2.gz JVALWENWBZMVNY-ZJUUUORDSA-N 1 2 280.265 1.491 20 30 CDEDLO C=CCN(CC[N@@H+]1CCn2cccc2C1)C(=O)OCC ZINC001209021993 940425271 /nfs/dbraw/zinc/42/52/71/940425271.db2.gz OVPBASLPRKEQCW-UHFFFAOYSA-N 1 2 277.368 1.948 20 30 CDEDLO C=CCN(CC[N@H+]1CCn2cccc2C1)C(=O)OCC ZINC001209021993 940425272 /nfs/dbraw/zinc/42/52/72/940425272.db2.gz OVPBASLPRKEQCW-UHFFFAOYSA-N 1 2 277.368 1.948 20 30 CDEDLO C=CCCCC(=O)N1CCC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001209335603 940462682 /nfs/dbraw/zinc/46/26/82/940462682.db2.gz PAEDCGSGNSHGBF-CYBMUJFWSA-N 1 2 292.383 1.815 20 30 CDEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H](F)CC)C[C@@H]21 ZINC001217503921 940996319 /nfs/dbraw/zinc/99/63/19/940996319.db2.gz OVEPKONLCVHWQM-HZSPNIEDSA-N 1 2 284.375 1.612 20 30 CDEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@H+](C[C@H](F)CC)C[C@@H]21 ZINC001217503921 940996323 /nfs/dbraw/zinc/99/63/23/940996323.db2.gz OVEPKONLCVHWQM-HZSPNIEDSA-N 1 2 284.375 1.612 20 30 CDEDLO Cc1nc(C#N)c(NC(=O)c2cnc([C@@H](C)[NH3+])s2)o1 ZINC001218649559 941251918 /nfs/dbraw/zinc/25/19/18/941251918.db2.gz DWNAEOONTHDEEV-RXMQYKEDSA-N 1 2 277.309 1.583 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)CCCCC)[C@@H](O)C1 ZINC001221031204 941494016 /nfs/dbraw/zinc/49/40/16/941494016.db2.gz YUFJFFHDKQGLEX-KGLIPLIRSA-N 1 2 280.412 1.387 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)CCCCC)[C@@H](O)C1 ZINC001221031204 941494013 /nfs/dbraw/zinc/49/40/13/941494013.db2.gz YUFJFFHDKQGLEX-KGLIPLIRSA-N 1 2 280.412 1.387 20 30 CDEDLO CC(C)C#CC(=O)NCC1CC[NH+](Cc2cnon2)CC1 ZINC001223114936 941658805 /nfs/dbraw/zinc/65/88/05/941658805.db2.gz XUEQXGHHGXBPMM-UHFFFAOYSA-N 1 2 290.367 1.057 20 30 CDEDLO COc1ccc(C)cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001225324197 941844206 /nfs/dbraw/zinc/84/42/06/941844206.db2.gz XRDDCEZQFVGZOH-FDAWXEHDSA-N 1 2 275.348 1.995 20 30 CDEDLO COc1ccc(C)cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001225324197 941844210 /nfs/dbraw/zinc/84/42/10/941844210.db2.gz XRDDCEZQFVGZOH-FDAWXEHDSA-N 1 2 275.348 1.995 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2nc3cc(C#N)ccc3[nH]2)C1 ZINC001227218629 942152534 /nfs/dbraw/zinc/15/25/34/942152534.db2.gz HHQWPAPDHFHDAE-NSHDSACASA-N 1 2 272.308 1.144 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2nc3cc(C#N)ccc3[nH]2)C1 ZINC001227218629 942152536 /nfs/dbraw/zinc/15/25/36/942152536.db2.gz HHQWPAPDHFHDAE-NSHDSACASA-N 1 2 272.308 1.144 20 30 CDEDLO Cc1nc(OC[C@@H]2C[N@H+](C)CCO2)c(C#N)c(C)c1Cl ZINC001227826477 942233163 /nfs/dbraw/zinc/23/31/63/942233163.db2.gz NFKCPQNCBHBOOX-NSHDSACASA-N 1 2 295.770 1.933 20 30 CDEDLO Cc1nc(OC[C@@H]2C[N@@H+](C)CCO2)c(C#N)c(C)c1Cl ZINC001227826477 942233167 /nfs/dbraw/zinc/23/31/67/942233167.db2.gz NFKCPQNCBHBOOX-NSHDSACASA-N 1 2 295.770 1.933 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(C(C)(C)F)ncn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227841444 942236559 /nfs/dbraw/zinc/23/65/59/942236559.db2.gz PEWYKHKISHXGES-OTDFPYDRSA-N 1 2 293.342 1.672 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(C(C)(C)F)ncn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227841444 942236560 /nfs/dbraw/zinc/23/65/60/942236560.db2.gz PEWYKHKISHXGES-OTDFPYDRSA-N 1 2 293.342 1.672 20 30 CDEDLO CSc1ncc(C#N)c(OC2C[NH+](C(C)(C)C)C2)n1 ZINC001228682741 942356695 /nfs/dbraw/zinc/35/66/95/942356695.db2.gz DDPYYAFNNIQABD-UHFFFAOYSA-N 1 2 278.381 1.932 20 30 CDEDLO CC[C@H](F)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CSCC#N ZINC001230815352 942707883 /nfs/dbraw/zinc/70/78/83/942707883.db2.gz NMGFYXFRWBBIPA-NWDGAFQWSA-N 1 2 287.404 1.524 20 30 CDEDLO CC[C@H](F)C[N@H+]1CC[C@@H]1CN(C)C(=O)CSCC#N ZINC001230815352 942707886 /nfs/dbraw/zinc/70/78/86/942707886.db2.gz NMGFYXFRWBBIPA-NWDGAFQWSA-N 1 2 287.404 1.524 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccccn1 ZINC001231246158 942831187 /nfs/dbraw/zinc/83/11/87/942831187.db2.gz DHJVSNBWXIXXFC-TZMCWYRMSA-N 1 2 272.352 1.274 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccccn1 ZINC001231246158 942831195 /nfs/dbraw/zinc/83/11/95/942831195.db2.gz DHJVSNBWXIXXFC-TZMCWYRMSA-N 1 2 272.352 1.274 20 30 CDEDLO C=C(C)C(=O)Nc1ccc(OC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001231319021 942855268 /nfs/dbraw/zinc/85/52/68/942855268.db2.gz ZMJNFZYEUPRYTC-HNNXBMFYSA-N 1 2 290.363 1.911 20 30 CDEDLO C=C(C)C(=O)Nc1ccc(OC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001231319021 942855274 /nfs/dbraw/zinc/85/52/74/942855274.db2.gz ZMJNFZYEUPRYTC-HNNXBMFYSA-N 1 2 290.363 1.911 20 30 CDEDLO C#Cc1cccc(C[N@H+]2CC(=O)N3CCC[C@H]3C2)c1 ZINC001231662085 942964904 /nfs/dbraw/zinc/96/49/04/942964904.db2.gz DPWRHGMXSRUJPG-HNNXBMFYSA-N 1 2 254.333 1.475 20 30 CDEDLO C#Cc1cccc(C[N@@H+]2CC(=O)N3CCC[C@H]3C2)c1 ZINC001231662085 942964911 /nfs/dbraw/zinc/96/49/11/942964911.db2.gz DPWRHGMXSRUJPG-HNNXBMFYSA-N 1 2 254.333 1.475 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc(C)nc(C)c2)CC1 ZINC001232002973 943090187 /nfs/dbraw/zinc/09/01/87/943090187.db2.gz IFAYLHGGIQIPBJ-UHFFFAOYSA-N 1 2 287.363 1.977 20 30 CDEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(COC(=O)N3)CC2)c1 ZINC001232678303 943359013 /nfs/dbraw/zinc/35/90/13/943359013.db2.gz UBCMEMFVRPEYRN-UHFFFAOYSA-N 1 2 287.319 1.338 20 30 CDEDLO CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001232890943 943426427 /nfs/dbraw/zinc/42/64/27/943426427.db2.gz SBKIDNIQTNGJCA-HUUCEWRRSA-N 1 2 287.338 1.892 20 30 CDEDLO CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001232890943 943426430 /nfs/dbraw/zinc/42/64/30/943426430.db2.gz SBKIDNIQTNGJCA-HUUCEWRRSA-N 1 2 287.338 1.892 20 30 CDEDLO C[N@H+](Cc1nnc2ccccn21)Cc1ccc(C#N)cc1O ZINC001233383254 943570442 /nfs/dbraw/zinc/57/04/42/943570442.db2.gz BUQPKAXSRAIKJG-UHFFFAOYSA-N 1 2 293.330 1.939 20 30 CDEDLO C[N@@H+](Cc1nnc2ccccn21)Cc1ccc(C#N)cc1O ZINC001233383254 943570445 /nfs/dbraw/zinc/57/04/45/943570445.db2.gz BUQPKAXSRAIKJG-UHFFFAOYSA-N 1 2 293.330 1.939 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)/C(C)=C/C ZINC001233571432 943619108 /nfs/dbraw/zinc/61/91/08/943619108.db2.gz VECVHTWDNQUXDB-DUYRLRNSSA-N 1 2 293.411 1.176 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)/C(C)=C/C ZINC001233571432 943619112 /nfs/dbraw/zinc/61/91/12/943619112.db2.gz VECVHTWDNQUXDB-DUYRLRNSSA-N 1 2 293.411 1.176 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(F)=C1CCCC1 ZINC001233622512 943626753 /nfs/dbraw/zinc/62/67/53/943626753.db2.gz LODIWQPTCDBIQB-CYBMUJFWSA-N 1 2 264.344 1.950 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(F)=C1CCCC1 ZINC001233622512 943626755 /nfs/dbraw/zinc/62/67/55/943626755.db2.gz LODIWQPTCDBIQB-CYBMUJFWSA-N 1 2 264.344 1.950 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1ccoc1 ZINC001233874691 943678556 /nfs/dbraw/zinc/67/85/56/943678556.db2.gz YRIFFEQLFZKFGL-OAHLLOKOSA-N 1 2 290.363 1.005 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1ccoc1 ZINC001233874691 943678560 /nfs/dbraw/zinc/67/85/60/943678560.db2.gz YRIFFEQLFZKFGL-OAHLLOKOSA-N 1 2 290.363 1.005 20 30 CDEDLO CC1(C)C(=O)NCC[N@H+]1Cc1ccccc1CC#N ZINC001235522381 944185698 /nfs/dbraw/zinc/18/56/98/944185698.db2.gz FDPFLWCKXQLFJS-UHFFFAOYSA-N 1 2 257.337 1.463 20 30 CDEDLO CC1(C)C(=O)NCC[N@@H+]1Cc1ccccc1CC#N ZINC001235522381 944185700 /nfs/dbraw/zinc/18/57/00/944185700.db2.gz FDPFLWCKXQLFJS-UHFFFAOYSA-N 1 2 257.337 1.463 20 30 CDEDLO C=CCOCC(=O)NCCC[N@@H+](C)Cc1cscn1 ZINC001235682744 944244334 /nfs/dbraw/zinc/24/43/34/944244334.db2.gz APWULANZQQXZAG-UHFFFAOYSA-N 1 2 283.397 1.284 20 30 CDEDLO C=CCOCC(=O)NCCC[N@H+](C)Cc1cscn1 ZINC001235682744 944244339 /nfs/dbraw/zinc/24/43/39/944244339.db2.gz APWULANZQQXZAG-UHFFFAOYSA-N 1 2 283.397 1.284 20 30 CDEDLO C=CCNC(=O)CNc1cc(C)c2ccccc2[nH+]1 ZINC000393837933 944627891 /nfs/dbraw/zinc/62/78/91/944627891.db2.gz PLPZWCWDMCTNQU-UHFFFAOYSA-N 1 2 255.321 1.679 20 30 CDEDLO C#CC[N@@H+](C)Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC001237434956 944773103 /nfs/dbraw/zinc/77/31/03/944773103.db2.gz LUFCAWKORHDJHJ-UHFFFAOYSA-N 1 2 276.340 1.889 20 30 CDEDLO C#CC[N@H+](C)Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC001237434956 944773111 /nfs/dbraw/zinc/77/31/11/944773111.db2.gz LUFCAWKORHDJHJ-UHFFFAOYSA-N 1 2 276.340 1.889 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c(F)cc1F ZINC001237526038 944824542 /nfs/dbraw/zinc/82/45/42/944824542.db2.gz YKEDVCRESKZJDI-FZMZJTMJSA-N 1 2 282.290 1.012 20 30 CDEDLO N#Cc1cc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c(F)cc1F ZINC001237526038 944824547 /nfs/dbraw/zinc/82/45/47/944824547.db2.gz YKEDVCRESKZJDI-FZMZJTMJSA-N 1 2 282.290 1.012 20 30 CDEDLO C[C@]1(CO)CC[N@H+](Cc2cc(C#N)c(F)cc2F)C[C@H]1O ZINC001237525115 944825077 /nfs/dbraw/zinc/82/50/77/944825077.db2.gz OLZFDOXFAQHVMV-HUUCEWRRSA-N 1 2 296.317 1.402 20 30 CDEDLO C[C@]1(CO)CC[N@@H+](Cc2cc(C#N)c(F)cc2F)C[C@H]1O ZINC001237525115 944825083 /nfs/dbraw/zinc/82/50/83/944825083.db2.gz OLZFDOXFAQHVMV-HUUCEWRRSA-N 1 2 296.317 1.402 20 30 CDEDLO C=CCS(=O)(=O)Nc1c[nH+]ccc1N1CCCCC1 ZINC001259923330 945708286 /nfs/dbraw/zinc/70/82/86/945708286.db2.gz DJPKVRVAXRILRV-UHFFFAOYSA-N 1 2 281.381 2.000 20 30 CDEDLO N#Cc1ccnnc1-c1ccc(C[NH+]2CC(O)C2)cc1 ZINC001243636194 947161373 /nfs/dbraw/zinc/16/13/73/947161373.db2.gz BAOCRBYONPEBMS-UHFFFAOYSA-N 1 2 266.304 1.192 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1C1CCN(c2ccc(F)cc2)CC1 ZINC001254625461 947562659 /nfs/dbraw/zinc/56/26/59/947562659.db2.gz JJAUQKPQCSFQOV-MRXNPFEDSA-N 1 2 288.370 1.592 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)c1cc(F)c(C#N)c(F)c1 ZINC001362570663 971413374 /nfs/dbraw/zinc/41/33/74/971413374.db2.gz MJQMZVGPCYWCID-UHFFFAOYSA-N 1 2 290.273 1.542 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CC[C@H](Oc2nccnc2C)C1 ZINC001255176424 947766239 /nfs/dbraw/zinc/76/62/39/947766239.db2.gz BGSFCROVPMKIJL-OLZOCXBDSA-N 1 2 260.341 1.930 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CC[C@H](Oc2nccnc2C)C1 ZINC001255176424 947766248 /nfs/dbraw/zinc/76/62/48/947766248.db2.gz BGSFCROVPMKIJL-OLZOCXBDSA-N 1 2 260.341 1.930 20 30 CDEDLO CC[C@@H](CC#N)N1CC([NH+]2CCN(c3ccccn3)CC2)C1 ZINC001255176075 947766493 /nfs/dbraw/zinc/76/64/93/947766493.db2.gz WJQSNFMXUHVXLA-HNNXBMFYSA-N 1 2 299.422 1.580 20 30 CDEDLO CC[C@@H](CC#N)[NH+]1CCC(N2CCCCS2(=O)=O)CC1 ZINC001255178412 947768696 /nfs/dbraw/zinc/76/86/96/947768696.db2.gz GFGAQUNLGDGLKS-ZDUSSCGKSA-N 1 2 299.440 1.569 20 30 CDEDLO N#Cc1ccc(NC(=S)NCCn2cc[nH+]c2)cc1 ZINC001245874678 947824500 /nfs/dbraw/zinc/82/45/00/947824500.db2.gz JAXGCSDCJNJYSX-UHFFFAOYSA-N 1 2 271.349 1.741 20 30 CDEDLO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001257057640 948506760 /nfs/dbraw/zinc/50/67/60/948506760.db2.gz XRYSLABMJGTDDV-KGYLQXTDSA-N 1 2 295.404 1.992 20 30 CDEDLO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001257057640 948506766 /nfs/dbraw/zinc/50/67/66/948506766.db2.gz XRYSLABMJGTDDV-KGYLQXTDSA-N 1 2 295.404 1.992 20 30 CDEDLO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001257057640 948506769 /nfs/dbraw/zinc/50/67/69/948506769.db2.gz XRYSLABMJGTDDV-KGYLQXTDSA-N 1 2 295.404 1.992 20 30 CDEDLO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001257057640 948506774 /nfs/dbraw/zinc/50/67/74/948506774.db2.gz XRYSLABMJGTDDV-KGYLQXTDSA-N 1 2 295.404 1.992 20 30 CDEDLO COC(=O)C1CCC([NH2+]C2(C#N)CCOCC2)CC1 ZINC001257856738 948642342 /nfs/dbraw/zinc/64/23/42/948642342.db2.gz MGBYMNDRDSQGRK-UHFFFAOYSA-N 1 2 266.341 1.381 20 30 CDEDLO C#CC[C@H]([NH2+]C1CCC(OC(C)C)CC1)C(=O)OC ZINC001257874581 948651525 /nfs/dbraw/zinc/65/15/25/948651525.db2.gz GGJXKRWDYMPQEY-RUXDESIVSA-N 1 2 267.369 1.877 20 30 CDEDLO C#CC[C@@H]([NH3+])c1nc(-c2cccc(C(C)=O)c2)no1 ZINC001247610299 948678565 /nfs/dbraw/zinc/67/85/65/948678565.db2.gz XCRRHJMWCOLPTH-GFCCVEGCSA-N 1 2 255.277 1.962 20 30 CDEDLO CCOC(=O)CCC[C@H](C)[NH2+][C@@H](CS)C(=O)OC ZINC001258103889 948702637 /nfs/dbraw/zinc/70/26/37/948702637.db2.gz CDAAVTAGHJDXST-UWVGGRQHSA-N 1 2 277.386 1.169 20 30 CDEDLO N#Cc1ccn2ncc(C[NH+]3CC(C(F)F)C3)c2c1 ZINC001249125467 949407980 /nfs/dbraw/zinc/40/79/80/949407980.db2.gz USVUMKOFDFBHAA-UHFFFAOYSA-N 1 2 262.263 1.903 20 30 CDEDLO C=CC[NH+]1CCN(Cc2ncc(C(=O)OC)s2)CC1 ZINC001249464913 949611644 /nfs/dbraw/zinc/61/16/44/949611644.db2.gz RFCIITXTXVJXEE-UHFFFAOYSA-N 1 2 281.381 1.233 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(F)cc2F)C1 ZINC001250858513 950434477 /nfs/dbraw/zinc/43/44/77/950434477.db2.gz WVIHCJVBEWOEBL-AAEUAGOBSA-N 1 2 296.317 1.940 20 30 CDEDLO N#C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(F)cc2F)C1 ZINC001250858513 950434485 /nfs/dbraw/zinc/43/44/85/950434485.db2.gz WVIHCJVBEWOEBL-AAEUAGOBSA-N 1 2 296.317 1.940 20 30 CDEDLO C#CCOC[C@@H](O)C[NH+]1Cc2cc(OC)c(OC)cc2C1 ZINC001251860744 950884586 /nfs/dbraw/zinc/88/45/86/950884586.db2.gz SYFMGLPNBHLUGD-AWEZNQCLSA-N 1 2 291.347 1.030 20 30 CDEDLO C=CCCCCCC[C@@H](O)C[NH2+]Cc1c[nH]nn1 ZINC001253251251 951827886 /nfs/dbraw/zinc/82/78/86/951827886.db2.gz IKBGOWOTFLMVJP-CYBMUJFWSA-N 1 2 252.362 1.782 20 30 CDEDLO C=CCCCCCC[C@@H](O)C[NH2+]Cc1cn[nH]n1 ZINC001253251251 951827894 /nfs/dbraw/zinc/82/78/94/951827894.db2.gz IKBGOWOTFLMVJP-CYBMUJFWSA-N 1 2 252.362 1.782 20 30 CDEDLO CCn1nc(C)c(C[NH2+]Cc2ccc(OCC#N)cc2)n1 ZINC001363863122 953936507 /nfs/dbraw/zinc/93/65/07/953936507.db2.gz ITLWFDUAGFXJRF-UHFFFAOYSA-N 1 2 285.351 1.799 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](CCc2cscn2)CC1 ZINC001363239902 972010473 /nfs/dbraw/zinc/01/04/73/972010473.db2.gz AHYIBOLYUAVYJZ-UHFFFAOYSA-N 1 2 279.365 1.464 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC001364442186 954618867 /nfs/dbraw/zinc/61/88/67/954618867.db2.gz DRGYZFOEVGLYMG-ZJUUUORDSA-N 1 2 274.324 1.004 20 30 CDEDLO C[NH+](C)CCONC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC001328304845 955257747 /nfs/dbraw/zinc/25/77/47/955257747.db2.gz ZGNQZHQHHYNYGH-UHFFFAOYSA-N 1 2 293.342 1.584 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1nn(CC)nc1C ZINC001422612319 956191624 /nfs/dbraw/zinc/19/16/24/956191624.db2.gz WIRHSCRMSYNRTJ-SNVBAGLBSA-N 1 2 299.806 1.409 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1nn(CC)nc1C ZINC001422612319 956191632 /nfs/dbraw/zinc/19/16/32/956191632.db2.gz WIRHSCRMSYNRTJ-SNVBAGLBSA-N 1 2 299.806 1.409 20 30 CDEDLO N#CCCN(Cc1cccnc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001330234636 956340903 /nfs/dbraw/zinc/34/09/03/956340903.db2.gz VCQHCKBJQZNPPC-UHFFFAOYSA-N 1 2 269.308 1.290 20 30 CDEDLO CN(Cc1ccc(N)[nH+]c1)c1ncc(C#N)cc1F ZINC001307089416 956362281 /nfs/dbraw/zinc/36/22/81/956362281.db2.gz SVZLXUVMUUHWPG-UHFFFAOYSA-N 1 2 257.272 1.706 20 30 CDEDLO Cc1nc([C@H](C)[NH2+]C[C@H](O)CC(C)(C)C#N)no1 ZINC001331035098 956779143 /nfs/dbraw/zinc/77/91/43/956779143.db2.gz RICPABZTZOOGIO-WCBMZHEXSA-N 1 2 252.318 1.329 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@H]2CCCO2)C1 ZINC001366956033 957299239 /nfs/dbraw/zinc/29/92/39/957299239.db2.gz CUGFHBGINHYEMO-GFCCVEGCSA-N 1 2 272.776 1.356 20 30 CDEDLO C=CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)[O-] ZINC001331948747 957356472 /nfs/dbraw/zinc/35/64/72/957356472.db2.gz QIRGJTXIPJYTIA-AWEZNQCLSA-N 1 2 271.320 1.991 20 30 CDEDLO C=CCC1(O)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001332309420 957512382 /nfs/dbraw/zinc/51/23/82/957512382.db2.gz PTVVJMYNTQXCEM-ZDUSSCGKSA-N 1 2 289.379 1.375 20 30 CDEDLO C=C[C@H](COC)NC(=O)NCCCNc1cccc[nH+]1 ZINC001320300850 959061676 /nfs/dbraw/zinc/06/16/76/959061676.db2.gz JIMSUQCVODYJLF-GFCCVEGCSA-N 1 2 278.356 1.384 20 30 CDEDLO C#Cc1cccc(NC(=O)C[NH2+]C[C@H](C#N)CCC#N)c1 ZINC001335302037 959694407 /nfs/dbraw/zinc/69/44/07/959694407.db2.gz SVAQTLSJWZXHFE-AWEZNQCLSA-N 1 2 280.331 1.640 20 30 CDEDLO C#C[C@@H]([NH2+]CCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC001335445021 959808840 /nfs/dbraw/zinc/80/88/40/959808840.db2.gz QDSRCGAWNFANCJ-GFCCVEGCSA-N 1 2 271.769 1.649 20 30 CDEDLO CCn1c[nH+]c2c1CCN(c1cccc(CC#N)n1)C2 ZINC001336854041 960664601 /nfs/dbraw/zinc/66/46/01/960664601.db2.gz LKMKOAYEFKMUJA-UHFFFAOYSA-N 1 2 267.336 1.927 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C1=COCCC1 ZINC001420532283 963020100 /nfs/dbraw/zinc/02/01/00/963020100.db2.gz AQKRXZDGSVQCAR-LLVKDONJSA-N 1 2 272.776 1.870 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C1=COCCC1 ZINC001420532283 963020106 /nfs/dbraw/zinc/02/01/06/963020106.db2.gz AQKRXZDGSVQCAR-LLVKDONJSA-N 1 2 272.776 1.870 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cn(CC)cn1 ZINC001438929939 963604876 /nfs/dbraw/zinc/60/48/76/963604876.db2.gz SRSZKPKYRDYYSH-UHFFFAOYSA-N 1 2 284.791 1.659 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cn(CC)cn1 ZINC001438929939 963604883 /nfs/dbraw/zinc/60/48/83/963604883.db2.gz SRSZKPKYRDYYSH-UHFFFAOYSA-N 1 2 284.791 1.659 20 30 CDEDLO C#C[C@@H](C)N(C)c1nnc(C[NH+]2CCCCC2)n1CC=C ZINC001342099640 963637275 /nfs/dbraw/zinc/63/72/75/963637275.db2.gz KAJFVRDPHRBEEF-CQSZACIVSA-N 1 2 287.411 1.908 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1n[nH]cc1C ZINC001440911906 964251812 /nfs/dbraw/zinc/25/18/12/964251812.db2.gz AQZQSUIHUSPUIU-JTQLQIEISA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1n[nH]cc1C ZINC001440911906 964251817 /nfs/dbraw/zinc/25/18/17/964251817.db2.gz AQZQSUIHUSPUIU-JTQLQIEISA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[NH2+][C@H](C)CNC(=O)c1[nH]nc2c1CCC2 ZINC001441865975 964755137 /nfs/dbraw/zinc/75/51/37/964755137.db2.gz DHXIZLIEPADBEB-SECBINFHSA-N 1 2 282.775 1.359 20 30 CDEDLO Cc1cc(NCc2ccn3cc[nH+]c3c2)c(C#N)cn1 ZINC001559137660 965405749 /nfs/dbraw/zinc/40/57/49/965405749.db2.gz IINHRPVLXXFXPN-UHFFFAOYSA-N 1 2 263.304 1.943 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001100267460 967825684 /nfs/dbraw/zinc/82/56/84/967825684.db2.gz OBSHKNUZITVDJJ-NWDGAFQWSA-N 1 2 276.384 1.796 20 30 CDEDLO C=CCNC(=S)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC001200285040 967831811 /nfs/dbraw/zinc/83/18/11/967831811.db2.gz NMDVKZABONZQGG-UHFFFAOYSA-N 1 2 277.393 1.985 20 30 CDEDLO COc1cc(C#N)ccc1C(=O)NCc1c[nH+]cn1C ZINC001462290180 969680919 /nfs/dbraw/zinc/68/09/19/969680919.db2.gz IQZIDETVWPINFK-UHFFFAOYSA-N 1 2 270.292 1.230 20 30 CDEDLO C=C[C@@](C)(O)C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001358484158 969745747 /nfs/dbraw/zinc/74/57/47/969745747.db2.gz KQIFJXWLARTKSX-UKRRQHHQSA-N 1 2 294.782 1.750 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001520992646 970254520 /nfs/dbraw/zinc/25/45/20/970254520.db2.gz TURDVWYQDQOPHH-HNNXBMFYSA-N 1 2 277.368 1.453 20 30 CDEDLO N#Cc1cc(C(=O)N2CCc3cc[nH+]c(N)c3C2)cs1 ZINC001470911143 970377217 /nfs/dbraw/zinc/37/72/17/970377217.db2.gz IHUVIBZXYSRKOI-UHFFFAOYSA-N 1 2 284.344 1.795 20 30 CDEDLO COC[C@H](C)C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001371928234 972695761 /nfs/dbraw/zinc/69/57/61/972695761.db2.gz UAWIQJCDBAXELC-ZDUSSCGKSA-N 1 2 289.379 1.389 20 30 CDEDLO COC[C@H](C)C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001371928234 972695767 /nfs/dbraw/zinc/69/57/67/972695767.db2.gz UAWIQJCDBAXELC-ZDUSSCGKSA-N 1 2 289.379 1.389 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C1(COC)CCC1 ZINC001505965206 975063364 /nfs/dbraw/zinc/06/33/64/975063364.db2.gz JMQLXEDKNJTMKZ-GFCCVEGCSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C1(COC)CCC1 ZINC001505965206 975063369 /nfs/dbraw/zinc/06/33/69/975063369.db2.gz JMQLXEDKNJTMKZ-GFCCVEGCSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCn2cccn2)C1 ZINC001402241857 976194825 /nfs/dbraw/zinc/19/48/25/976194825.db2.gz ISCVQBKZDIECMU-CYBMUJFWSA-N 1 2 296.802 1.606 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCn2cccn2)C1 ZINC001402241857 976194836 /nfs/dbraw/zinc/19/48/36/976194836.db2.gz ISCVQBKZDIECMU-CYBMUJFWSA-N 1 2 296.802 1.606 20 30 CDEDLO COCCC(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001390723134 976456111 /nfs/dbraw/zinc/45/61/11/976456111.db2.gz WPTLGJZKIRFXFH-UHFFFAOYSA-N 1 2 293.342 1.282 20 30 CDEDLO COCCC(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001390723134 976456116 /nfs/dbraw/zinc/45/61/16/976456116.db2.gz WPTLGJZKIRFXFH-UHFFFAOYSA-N 1 2 293.342 1.282 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(=O)[nH]c1 ZINC001403191313 976799001 /nfs/dbraw/zinc/79/90/01/976799001.db2.gz RAQAZRUQOYSNKJ-SNVBAGLBSA-N 1 2 283.759 1.590 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(=O)[nH]c1 ZINC001403191313 976799010 /nfs/dbraw/zinc/79/90/10/976799010.db2.gz RAQAZRUQOYSNKJ-SNVBAGLBSA-N 1 2 283.759 1.590 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]Cc1nc(CCC)no1 ZINC001132653578 1163416794 /nfs/dbraw/zinc/41/67/94/1163416794.db2.gz OSZACTQOIRCLST-GFCCVEGCSA-N 1 2 294.399 1.830 20 30 CDEDLO C=CCC1(C(=O)NCC[NH2+][C@@H](C)c2nnc(C)o2)CCC1 ZINC001133395138 1163670830 /nfs/dbraw/zinc/67/08/30/1163670830.db2.gz CJAYKEZMFMZPQV-NSHDSACASA-N 1 2 292.383 1.891 20 30 CDEDLO CN(C)c1c(F)c(F)ccc1C[NH+]1CCN(CC#N)CC1 ZINC000600117076 341978124 /nfs/dbraw/zinc/97/81/24/341978124.db2.gz QZUOHQSVPKGQCW-UHFFFAOYSA-N 1 2 294.349 1.672 20 30 CDEDLO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCC#N ZINC000573317274 334926805 /nfs/dbraw/zinc/92/68/05/334926805.db2.gz DOZWWFIQIQBBMI-GFCCVEGCSA-N 1 2 266.366 1.742 20 30 CDEDLO N#CCN1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000601205906 342497551 /nfs/dbraw/zinc/49/75/51/342497551.db2.gz QMUOQOFBOBUFSO-UHFFFAOYSA-N 1 2 295.346 1.358 20 30 CDEDLO Cc1onc(CC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1C#N ZINC000611528039 346812991 /nfs/dbraw/zinc/81/29/91/346812991.db2.gz QFBNDSRUEQSFLR-GFCCVEGCSA-N 1 2 299.334 1.457 20 30 CDEDLO CC(C#N)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000351576816 361772281 /nfs/dbraw/zinc/77/22/81/361772281.db2.gz YQCGHJYAEAICCI-CQSZACIVSA-N 1 2 296.374 1.821 20 30 CDEDLO C[C@H](C#N)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000351576816 361772288 /nfs/dbraw/zinc/77/22/88/361772288.db2.gz YQCGHJYAEAICCI-CQSZACIVSA-N 1 2 296.374 1.821 20 30 CDEDLO COC(=O)c1cnc(C[N@H+](C)Cc2cccc(C#N)c2)cn1 ZINC000599260097 343990756 /nfs/dbraw/zinc/99/07/56/343990756.db2.gz WFGXLCXYDFWOGY-UHFFFAOYSA-N 1 2 296.330 1.767 20 30 CDEDLO COC(=O)c1cnc(C[N@@H+](C)Cc2cccc(C#N)c2)cn1 ZINC000599260097 343990757 /nfs/dbraw/zinc/99/07/57/343990757.db2.gz WFGXLCXYDFWOGY-UHFFFAOYSA-N 1 2 296.330 1.767 20 30 CDEDLO C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(C#N)CC1 ZINC000057906099 361789905 /nfs/dbraw/zinc/78/99/05/361789905.db2.gz FKVWHXJXNIEGCM-SNVBAGLBSA-N 1 2 280.372 1.235 20 30 CDEDLO Cc1cnn(C[C@@H]2C[N@H+](Cc3cccc(C#N)c3)CCO2)c1 ZINC000264351356 365664728 /nfs/dbraw/zinc/66/47/28/365664728.db2.gz GVLSLBOUZYIQKC-KRWDZBQOSA-N 1 2 296.374 1.964 20 30 CDEDLO Cc1cnn(C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CCO2)c1 ZINC000264351356 365664738 /nfs/dbraw/zinc/66/47/38/365664738.db2.gz GVLSLBOUZYIQKC-KRWDZBQOSA-N 1 2 296.374 1.964 20 30 CDEDLO Cc1cc(F)c(F)cc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000591241487 342622434 /nfs/dbraw/zinc/62/24/34/342622434.db2.gz CUFLXGVJKRPFQM-LLVKDONJSA-N 1 2 284.306 1.858 20 30 CDEDLO Cc1cc(F)c(F)cc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000591241487 342622435 /nfs/dbraw/zinc/62/24/35/342622435.db2.gz CUFLXGVJKRPFQM-LLVKDONJSA-N 1 2 284.306 1.858 20 30 CDEDLO COCC#CC[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000591849934 342649718 /nfs/dbraw/zinc/64/97/18/342649718.db2.gz WWDOPADFVFBQCU-SECBINFHSA-N 1 2 268.338 1.230 20 30 CDEDLO N#CC[C@]1(O)CCN(c2[nH+]cnc3[nH]c4ccccc4c32)C1 ZINC000591973066 342660724 /nfs/dbraw/zinc/66/07/24/342660724.db2.gz IDPSCHIRAFEIIS-INIZCTEOSA-N 1 2 293.330 1.966 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC000592151254 342669002 /nfs/dbraw/zinc/66/90/02/342669002.db2.gz KYNIVGQMLFJZOQ-LBPRGKRZSA-N 1 2 251.717 1.585 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC000592151254 342669003 /nfs/dbraw/zinc/66/90/03/342669003.db2.gz KYNIVGQMLFJZOQ-LBPRGKRZSA-N 1 2 251.717 1.585 20 30 CDEDLO CC#CCN1CCc2[nH+]c[nH]c2[C@@H]1c1ccnn1C ZINC000625498660 342175138 /nfs/dbraw/zinc/17/51/38/342175138.db2.gz HOPAHLNABMGUPS-AWEZNQCLSA-N 1 2 255.325 1.114 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCOc1ccccc1 ZINC000593156142 342774563 /nfs/dbraw/zinc/77/45/63/342774563.db2.gz IOWMJSZSSIESLT-OAHLLOKOSA-N 1 2 275.352 1.416 20 30 CDEDLO CC[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000151903345 361900383 /nfs/dbraw/zinc/90/03/83/361900383.db2.gz NQDAXIXJOLHPKE-PWSUYJOCSA-N 1 2 255.387 1.232 20 30 CDEDLO [O-]C(N[C@@H]1CCCSC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330202379 539031067 /nfs/dbraw/zinc/03/10/67/539031067.db2.gz ZFGVWRVKZNOSKI-GHMZBOCLSA-N 1 2 280.397 1.597 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1CCCSC1 ZINC000330202379 539031069 /nfs/dbraw/zinc/03/10/69/539031069.db2.gz ZFGVWRVKZNOSKI-GHMZBOCLSA-N 1 2 280.397 1.597 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1nnc(C(C)C)s1 ZINC000594010850 342863225 /nfs/dbraw/zinc/86/32/25/342863225.db2.gz QXWXBIKVXOLFQK-SECBINFHSA-N 1 2 281.385 1.882 20 30 CDEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000593968175 342858405 /nfs/dbraw/zinc/85/84/05/342858405.db2.gz IOSFUVVVKLGOAW-INIZCTEOSA-N 1 2 283.379 1.619 20 30 CDEDLO C=C[C@](C)(O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000611795444 346882970 /nfs/dbraw/zinc/88/29/70/346882970.db2.gz PFYDFOKXZOHCSN-HNNXBMFYSA-N 1 2 273.336 1.238 20 30 CDEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc([C@H](C)CC#N)n2)C1 ZINC000594733900 342949543 /nfs/dbraw/zinc/94/95/43/342949543.db2.gz JSBFVZUMUKZYPV-GHMZBOCLSA-N 1 2 264.329 1.868 20 30 CDEDLO CC(C)[N@H+]1CCO[C@@H](c2noc([C@H](C)CC#N)n2)C1 ZINC000594733900 342949545 /nfs/dbraw/zinc/94/95/45/342949545.db2.gz JSBFVZUMUKZYPV-GHMZBOCLSA-N 1 2 264.329 1.868 20 30 CDEDLO Cc1cn2ccc(NC(=O)C(=O)NCCCCC#N)cc2[nH+]1 ZINC000594973252 342992351 /nfs/dbraw/zinc/99/23/51/342992351.db2.gz KLIZYWXOYVVNMB-UHFFFAOYSA-N 1 2 299.334 1.391 20 30 CDEDLO CO[C@@H](C[N@H+](CCC#N)Cc1cccnc1)[C@@H]1CCOC1 ZINC000595339391 343030008 /nfs/dbraw/zinc/03/00/08/343030008.db2.gz NZOSVVZXWVKCDL-CVEARBPZSA-N 1 2 289.379 1.849 20 30 CDEDLO CO[C@@H](C[N@@H+](CCC#N)Cc1cccnc1)[C@@H]1CCOC1 ZINC000595339391 343030010 /nfs/dbraw/zinc/03/00/10/343030010.db2.gz NZOSVVZXWVKCDL-CVEARBPZSA-N 1 2 289.379 1.849 20 30 CDEDLO CCN1CC[NH+]([C@H]2CCN([C@@H](C#N)c3ccccc3)C2)CC1 ZINC000595309817 343032891 /nfs/dbraw/zinc/03/28/91/343032891.db2.gz BLOZESQGJLKCRJ-ROUUACIJSA-N 1 2 298.434 1.963 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1c[nH+]c[nH]1 ZINC000595594203 343096479 /nfs/dbraw/zinc/09/64/79/343096479.db2.gz IOYSESMJANWRFK-NSHDSACASA-N 1 2 283.335 1.740 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1c[nH]c[nH+]1 ZINC000595594203 343096481 /nfs/dbraw/zinc/09/64/81/343096481.db2.gz IOYSESMJANWRFK-NSHDSACASA-N 1 2 283.335 1.740 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000595616547 343110169 /nfs/dbraw/zinc/11/01/69/343110169.db2.gz RUIQLUNRRYZZQW-FZMZJTMJSA-N 1 2 275.327 1.978 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000595616547 343110170 /nfs/dbraw/zinc/11/01/70/343110170.db2.gz RUIQLUNRRYZZQW-FZMZJTMJSA-N 1 2 275.327 1.978 20 30 CDEDLO Cn1cc(C[N@H+](C)Cc2ccc(C#N)c(F)c2)nn1 ZINC000595757233 343142782 /nfs/dbraw/zinc/14/27/82/343142782.db2.gz AWGFXZWYCPQWGE-UHFFFAOYSA-N 1 2 259.288 1.458 20 30 CDEDLO Cn1cc(C[N@@H+](C)Cc2ccc(C#N)c(F)c2)nn1 ZINC000595757233 343142783 /nfs/dbraw/zinc/14/27/83/343142783.db2.gz AWGFXZWYCPQWGE-UHFFFAOYSA-N 1 2 259.288 1.458 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)Nc2sccc2C#N)C[C@]1(C)CO ZINC000595870475 343176903 /nfs/dbraw/zinc/17/69/03/343176903.db2.gz GOKLPLLIXNDKSN-IINYFYTJSA-N 1 2 293.392 1.509 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)C[C@]1(C)CO ZINC000595870475 343176905 /nfs/dbraw/zinc/17/69/05/343176905.db2.gz GOKLPLLIXNDKSN-IINYFYTJSA-N 1 2 293.392 1.509 20 30 CDEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@](C)(C#N)C2CCCCC2)C1 ZINC000081408456 342368715 /nfs/dbraw/zinc/36/87/15/342368715.db2.gz IWBULNUZVOMJRO-DZGCQCFKSA-N 1 2 279.384 1.296 20 30 CDEDLO C[N@H+]1CCO[C@H](C(=O)N[C@](C)(C#N)C2CCCCC2)C1 ZINC000081408456 342368716 /nfs/dbraw/zinc/36/87/16/342368716.db2.gz IWBULNUZVOMJRO-DZGCQCFKSA-N 1 2 279.384 1.296 20 30 CDEDLO Cc1ccc(C#N)nc1NCC[N@@H+]1CCO[C@H](C)C1 ZINC000596102744 343227802 /nfs/dbraw/zinc/22/78/02/343227802.db2.gz XHLUIHOSSOOTJC-GFCCVEGCSA-N 1 2 260.341 1.394 20 30 CDEDLO Cc1ccc(C#N)nc1NCC[N@H+]1CCO[C@H](C)C1 ZINC000596102744 343227803 /nfs/dbraw/zinc/22/78/03/343227803.db2.gz XHLUIHOSSOOTJC-GFCCVEGCSA-N 1 2 260.341 1.394 20 30 CDEDLO N#Cc1cnnc(N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000596063665 343223902 /nfs/dbraw/zinc/22/39/02/343223902.db2.gz ZATNBIAHURBMGK-UHFFFAOYSA-N 1 2 269.308 1.263 20 30 CDEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](O)C2)C1=O ZINC000083127354 342377576 /nfs/dbraw/zinc/37/75/76/342377576.db2.gz UEXMBLRBLRTHLY-NWDGAFQWSA-N 1 2 291.376 1.182 20 30 CDEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](O)C2)C1=O ZINC000083127354 342377577 /nfs/dbraw/zinc/37/75/77/342377577.db2.gz UEXMBLRBLRTHLY-NWDGAFQWSA-N 1 2 291.376 1.182 20 30 CDEDLO C#CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000089592136 342392474 /nfs/dbraw/zinc/39/24/74/342392474.db2.gz VMUQMDHGBPJLLR-UHFFFAOYSA-N 1 2 289.335 1.749 20 30 CDEDLO N#CCCCCS(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000088777042 342387266 /nfs/dbraw/zinc/38/72/66/342387266.db2.gz LUIPWELFUNSXJO-GFCCVEGCSA-N 1 2 296.396 1.613 20 30 CDEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000597229195 343487857 /nfs/dbraw/zinc/48/78/57/343487857.db2.gz JSKLIKRUYOKLFO-AWEZNQCLSA-N 1 2 293.392 1.794 20 30 CDEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000597229195 343487859 /nfs/dbraw/zinc/48/78/59/343487859.db2.gz JSKLIKRUYOKLFO-AWEZNQCLSA-N 1 2 293.392 1.794 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000597995322 343684282 /nfs/dbraw/zinc/68/42/82/343684282.db2.gz MDQVEYSMHSZOGK-MNOVXSKESA-N 1 2 291.351 1.299 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000597995322 343684284 /nfs/dbraw/zinc/68/42/84/343684284.db2.gz MDQVEYSMHSZOGK-MNOVXSKESA-N 1 2 291.351 1.299 20 30 CDEDLO C=CCCSCCNC(=O)CCn1cc[nH+]c1 ZINC000597971035 343688123 /nfs/dbraw/zinc/68/81/23/343688123.db2.gz BSUPJEGUVVNCCK-UHFFFAOYSA-N 1 2 253.371 1.699 20 30 CDEDLO Cc1nc([C@@H]2C[N@H+](C[C@@H](O)CC(C)(C)C#N)CCO2)no1 ZINC000598591206 343837336 /nfs/dbraw/zinc/83/73/36/343837336.db2.gz WHITYYHNLJZOMJ-RYUDHWBXSA-N 1 2 294.355 1.052 20 30 CDEDLO Cc1nc([C@@H]2C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CCO2)no1 ZINC000598591206 343837337 /nfs/dbraw/zinc/83/73/37/343837337.db2.gz WHITYYHNLJZOMJ-RYUDHWBXSA-N 1 2 294.355 1.052 20 30 CDEDLO COC(=O)[C@@]1([NH2+]C[C@@H](O)CC(C)(C)C#N)CC[C@@H](C)CC1 ZINC000598626699 343848275 /nfs/dbraw/zinc/84/82/75/343848275.db2.gz GYQRZQSTIYFBGA-XEZPLFJOSA-N 1 2 296.411 1.999 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000598628603 343848564 /nfs/dbraw/zinc/84/85/64/343848564.db2.gz QBYGOCDGOBTFLM-WDEREUQCSA-N 1 2 294.317 1.940 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000598628603 343848566 /nfs/dbraw/zinc/84/85/66/343848566.db2.gz QBYGOCDGOBTFLM-WDEREUQCSA-N 1 2 294.317 1.940 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000598605951 343852198 /nfs/dbraw/zinc/85/21/98/343852198.db2.gz FEQPBSVLRIBGMD-UONOGXRCSA-N 1 2 299.378 1.784 20 30 CDEDLO COc1cccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1C ZINC000598836282 343914438 /nfs/dbraw/zinc/91/44/38/343914438.db2.gz FKEPOLZTFOLDKV-OAHLLOKOSA-N 1 2 275.352 1.577 20 30 CDEDLO N#Cc1ccc(OCC(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000598947235 343923427 /nfs/dbraw/zinc/92/34/27/343923427.db2.gz KJMIZORPCJHQOB-ZDUSSCGKSA-N 1 2 296.330 1.265 20 30 CDEDLO N#Cc1cc(O)cc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000598947982 343933043 /nfs/dbraw/zinc/93/30/43/343933043.db2.gz NOWHJPZDQOVDIG-GFCCVEGCSA-N 1 2 282.303 1.205 20 30 CDEDLO Cc1cn2ccc(C(=O)N3CC[C@@](F)(C#N)C3)cc2[nH+]1 ZINC000602143400 344349608 /nfs/dbraw/zinc/34/96/08/344349608.db2.gz SORVGXJXVIKXKX-CQSZACIVSA-N 1 2 272.283 1.721 20 30 CDEDLO CO[C@@]1(C[N@H+](CCC#N)Cc2ccco2)CCOC1 ZINC000602433533 344424969 /nfs/dbraw/zinc/42/49/69/344424969.db2.gz LQWBQVZCXWGFSD-CQSZACIVSA-N 1 2 264.325 1.801 20 30 CDEDLO CO[C@@]1(C[N@@H+](CCC#N)Cc2ccco2)CCOC1 ZINC000602433533 344424970 /nfs/dbraw/zinc/42/49/70/344424970.db2.gz LQWBQVZCXWGFSD-CQSZACIVSA-N 1 2 264.325 1.801 20 30 CDEDLO C[C@]1(C#N)CCN(Cc2cc3c(c[nH+]2)OCCO3)C1 ZINC000602716826 344556199 /nfs/dbraw/zinc/55/61/99/344556199.db2.gz FKCJKCABVAOXRZ-CQSZACIVSA-N 1 2 259.309 1.588 20 30 CDEDLO COc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)CC#N)cc1F ZINC000602860683 344616688 /nfs/dbraw/zinc/61/66/88/344616688.db2.gz DJDBIIGNVHXVLS-NSHDSACASA-N 1 2 293.342 1.684 20 30 CDEDLO Cc1ccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N)cc1 ZINC000602861689 344617535 /nfs/dbraw/zinc/61/75/35/344617535.db2.gz HKPXVDLVVZKXPR-QWHCGFSZSA-N 1 2 259.353 1.892 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1c[nH]nc1C ZINC000602942258 344666080 /nfs/dbraw/zinc/66/60/80/344666080.db2.gz MVKYZRXXHBBGMH-LLVKDONJSA-N 1 2 277.372 1.158 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1c[nH]nc1C ZINC000602942258 344666083 /nfs/dbraw/zinc/66/60/83/344666083.db2.gz MVKYZRXXHBBGMH-LLVKDONJSA-N 1 2 277.372 1.158 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC000602870783 344641187 /nfs/dbraw/zinc/64/11/87/344641187.db2.gz WVPXFWIEOYSFGW-VXGBXAGGSA-N 1 2 288.351 1.293 20 30 CDEDLO Cn1cc(N2CCC[C@H]([NH+]3CCC(C#N)CC3)C2=O)cn1 ZINC000159841095 362540861 /nfs/dbraw/zinc/54/08/61/362540861.db2.gz NMDXQUSWACFCRA-AWEZNQCLSA-N 1 2 287.367 1.151 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)C[C@@H](C)O1 ZINC000249265402 362570723 /nfs/dbraw/zinc/57/07/23/362570723.db2.gz IQUXYGBPHJODOW-JMSVASOKSA-N 1 2 288.347 1.882 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)C[C@@H](C)O1 ZINC000249265402 362570726 /nfs/dbraw/zinc/57/07/26/362570726.db2.gz IQUXYGBPHJODOW-JMSVASOKSA-N 1 2 288.347 1.882 20 30 CDEDLO C=CCOC[C@@H](NCc1c[nH+]c2ccccn12)C(=O)OC ZINC000619509451 345411853 /nfs/dbraw/zinc/41/18/53/345411853.db2.gz UXEMSZZEMGVXPL-CYBMUJFWSA-N 1 2 289.335 1.168 20 30 CDEDLO Cn1c[nH+]c(CN2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC000618905082 345447036 /nfs/dbraw/zinc/44/70/36/345447036.db2.gz UXVDDPIWBPFJSW-QGZVFWFLSA-N 1 2 295.390 1.803 20 30 CDEDLO COc1cccc(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)n1 ZINC000609577958 345816660 /nfs/dbraw/zinc/81/66/60/345816660.db2.gz MADZQWVIGIHYMD-OAHLLOKOSA-N 1 2 288.395 1.756 20 30 CDEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N(C)C(C)C)CC1 ZINC000610481191 346290993 /nfs/dbraw/zinc/29/09/93/346290993.db2.gz OQRVEBROPNYLBQ-CABCVRRESA-N 1 2 294.443 1.407 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCSC[C@H]2CO)s1 ZINC000584847214 346456532 /nfs/dbraw/zinc/45/65/32/346456532.db2.gz IEXCRIKVDPTFSD-SECBINFHSA-N 1 2 254.380 1.529 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCSC[C@H]2CO)s1 ZINC000584847214 346456534 /nfs/dbraw/zinc/45/65/34/346456534.db2.gz IEXCRIKVDPTFSD-SECBINFHSA-N 1 2 254.380 1.529 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449652214 362763851 /nfs/dbraw/zinc/76/38/51/362763851.db2.gz PLJKTSRIPJDPER-MNOVXSKESA-N 1 2 276.327 1.329 20 30 CDEDLO COC(=O)c1cccc(C[NH+]2CCC(C)(O)CC2)c1C#N ZINC000611126774 346614823 /nfs/dbraw/zinc/61/48/23/346614823.db2.gz UHHCGIARMPYJLL-UHFFFAOYSA-N 1 2 288.347 1.692 20 30 CDEDLO N#CCCN1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000611176237 346631874 /nfs/dbraw/zinc/63/18/74/346631874.db2.gz WTGOOXICBZVKKF-UHFFFAOYSA-N 1 2 264.760 1.766 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000611191220 346684192 /nfs/dbraw/zinc/68/41/92/346684192.db2.gz QKGNWVVACABYNI-UHFFFAOYSA-N 1 2 294.318 1.963 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](CC3(C#N)CC3)CC2)nc1 ZINC000611429244 346786900 /nfs/dbraw/zinc/78/69/00/346786900.db2.gz ONQDZBAAXRDXJK-UHFFFAOYSA-N 1 2 267.336 1.379 20 30 CDEDLO C=CCC1(C(=O)N(C)CC[NH+]2CCOCC2)CCCC1 ZINC000449824417 362775706 /nfs/dbraw/zinc/77/57/06/362775706.db2.gz DNJLKGAQSHNZEX-UHFFFAOYSA-N 1 2 280.412 1.914 20 30 CDEDLO C#CC[NH+]1CCN(Cn2nc(C(C)(C)C)oc2=S)CC1 ZINC000054448174 347822880 /nfs/dbraw/zinc/82/28/80/347822880.db2.gz ZSYNPTVBSMQORG-UHFFFAOYSA-N 1 2 294.424 1.711 20 30 CDEDLO CCOC[C@H](C(=O)OC)[N@H+](C)Cc1ccc(C#N)cc1C ZINC000614403868 348101227 /nfs/dbraw/zinc/10/12/27/348101227.db2.gz UDMNNZXMPJIJAQ-OAHLLOKOSA-N 1 2 290.363 1.877 20 30 CDEDLO CCOC[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000614403868 348101229 /nfs/dbraw/zinc/10/12/29/348101229.db2.gz UDMNNZXMPJIJAQ-OAHLLOKOSA-N 1 2 290.363 1.877 20 30 CDEDLO Cc1cc(C#N)cc(C)c1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414119290 362926485 /nfs/dbraw/zinc/92/64/85/362926485.db2.gz CTAQQHBBBPRSAJ-OAHLLOKOSA-N 1 2 287.363 1.760 20 30 CDEDLO Cc1cc(C#N)cc(C)c1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414119290 362926492 /nfs/dbraw/zinc/92/64/92/362926492.db2.gz CTAQQHBBBPRSAJ-OAHLLOKOSA-N 1 2 287.363 1.760 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc2c1OCC2 ZINC000414146319 362922757 /nfs/dbraw/zinc/92/27/57/362922757.db2.gz OZCUFGKUBZHVCJ-CYBMUJFWSA-N 1 2 276.336 1.207 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc2c1OCC2 ZINC000414146319 362922761 /nfs/dbraw/zinc/92/27/61/362922761.db2.gz OZCUFGKUBZHVCJ-CYBMUJFWSA-N 1 2 276.336 1.207 20 30 CDEDLO C=CCC1(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CCCC1 ZINC000567120240 348455548 /nfs/dbraw/zinc/45/55/48/348455548.db2.gz NODHFPUVRTUZBS-AWEZNQCLSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CCC1(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CCCC1 ZINC000567120240 348455551 /nfs/dbraw/zinc/45/55/51/348455551.db2.gz NODHFPUVRTUZBS-AWEZNQCLSA-N 1 2 280.412 1.960 20 30 CDEDLO N#Cc1ccc(OCC[NH+]2CCN(C(=O)C3CC3)CC2)cc1 ZINC000015304414 348523227 /nfs/dbraw/zinc/52/32/27/348523227.db2.gz RHIINZOPRGKPCQ-UHFFFAOYSA-N 1 2 299.374 1.491 20 30 CDEDLO N#CCC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000615787723 348721840 /nfs/dbraw/zinc/72/18/40/348721840.db2.gz VXKAMOXTPQPRNE-CYBMUJFWSA-N 1 2 272.352 1.598 20 30 CDEDLO CC1(C)C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000030196524 348676905 /nfs/dbraw/zinc/67/69/05/348676905.db2.gz YWKWOLGFLWTDKR-HNNXBMFYSA-N 1 2 299.374 1.774 20 30 CDEDLO CC1(C)C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000030196524 348676910 /nfs/dbraw/zinc/67/69/10/348676910.db2.gz YWKWOLGFLWTDKR-HNNXBMFYSA-N 1 2 299.374 1.774 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCc1cccc(OC(C)C)c1 ZINC000072906589 349139833 /nfs/dbraw/zinc/13/98/33/349139833.db2.gz HVRUHQPRJZAHRG-UHFFFAOYSA-N 1 2 298.386 1.658 20 30 CDEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H](O)C2)c1C#N ZINC000091068465 349307394 /nfs/dbraw/zinc/30/73/94/349307394.db2.gz CLMWEDPZYDAUHC-AWEZNQCLSA-N 1 2 282.347 1.619 20 30 CDEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H](O)C2)c1C#N ZINC000091068465 349307397 /nfs/dbraw/zinc/30/73/97/349307397.db2.gz CLMWEDPZYDAUHC-AWEZNQCLSA-N 1 2 282.347 1.619 20 30 CDEDLO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000602895553 350161525 /nfs/dbraw/zinc/16/15/25/350161525.db2.gz AFCVYRMHSWBTQN-KBPBESRZSA-N 1 2 280.755 1.529 20 30 CDEDLO C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000602895553 350161526 /nfs/dbraw/zinc/16/15/26/350161526.db2.gz AFCVYRMHSWBTQN-KBPBESRZSA-N 1 2 280.755 1.529 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000622084010 350982308 /nfs/dbraw/zinc/98/23/08/350982308.db2.gz PSNLDCJBFNREPV-ZWNOBZJWSA-N 1 2 251.330 1.407 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000068616804 351112764 /nfs/dbraw/zinc/11/27/64/351112764.db2.gz LQEXLOVCOJXCII-SNVBAGLBSA-N 1 2 263.366 1.525 20 30 CDEDLO C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000123337385 187085276 /nfs/dbraw/zinc/08/52/76/187085276.db2.gz WSXXBFQEJNMOIB-SMDDNHRTSA-N 1 2 283.335 1.806 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)s1 ZINC000123609532 187100668 /nfs/dbraw/zinc/10/06/68/187100668.db2.gz KKIQPQJBOILPMA-OLZOCXBDSA-N 1 2 275.377 1.863 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)s1 ZINC000123609532 187100669 /nfs/dbraw/zinc/10/06/69/187100669.db2.gz KKIQPQJBOILPMA-OLZOCXBDSA-N 1 2 275.377 1.863 20 30 CDEDLO Cc1cnc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000292055671 198147847 /nfs/dbraw/zinc/14/78/47/198147847.db2.gz BQCNFZFGGSIXTM-CYBMUJFWSA-N 1 2 284.319 1.903 20 30 CDEDLO Cc1cnc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000292055671 198147848 /nfs/dbraw/zinc/14/78/48/198147848.db2.gz BQCNFZFGGSIXTM-CYBMUJFWSA-N 1 2 284.319 1.903 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000109813567 358474473 /nfs/dbraw/zinc/47/44/73/358474473.db2.gz CDDMFAGWSBIAIN-UHFFFAOYSA-N 1 2 296.415 1.874 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000109813567 358474478 /nfs/dbraw/zinc/47/44/78/358474478.db2.gz CDDMFAGWSBIAIN-UHFFFAOYSA-N 1 2 296.415 1.874 20 30 CDEDLO C#CCN(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000292476852 198302512 /nfs/dbraw/zinc/30/25/12/198302512.db2.gz PXTRUZHPYZRYPE-UHFFFAOYSA-N 1 2 272.352 1.456 20 30 CDEDLO CN(Cc1[nH+]ccn1C)c1ncc(C#N)cc1Cl ZINC000156854577 188285282 /nfs/dbraw/zinc/28/52/82/188285282.db2.gz IPNXQPNYQZRBGP-UHFFFAOYSA-N 1 2 261.716 1.977 20 30 CDEDLO O=C(NCC#Cc1ccccc1)N1CCn2c[nH+]cc2C1 ZINC000292621675 198353996 /nfs/dbraw/zinc/35/39/96/198353996.db2.gz XEUOBIQDLVEMSA-UHFFFAOYSA-N 1 2 280.331 1.460 20 30 CDEDLO CCOC(=O)C(C)(C)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000354760216 358484850 /nfs/dbraw/zinc/48/48/50/358484850.db2.gz URKUPVLCMKDYLI-UHFFFAOYSA-N 1 2 263.341 1.670 20 30 CDEDLO CCOC(=O)C(C)(C)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000354760216 358484853 /nfs/dbraw/zinc/48/48/53/358484853.db2.gz URKUPVLCMKDYLI-UHFFFAOYSA-N 1 2 263.341 1.670 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Nc1nc(C#N)c(Cl)s1 ZINC000590573361 358487813 /nfs/dbraw/zinc/48/78/13/358487813.db2.gz XOBGXJGBYILIOM-MRVPVSSYSA-N 1 2 286.788 1.223 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cccnc1Cl ZINC000491623243 332247904 /nfs/dbraw/zinc/24/79/04/332247904.db2.gz JVWPZICSOGZBHL-SECBINFHSA-N 1 2 251.717 1.627 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cccnc1Cl ZINC000491623243 332247905 /nfs/dbraw/zinc/24/79/05/332247905.db2.gz JVWPZICSOGZBHL-SECBINFHSA-N 1 2 251.717 1.627 20 30 CDEDLO Cc1cc(NS(=O)(=O)c2cncc(C#N)c2)c(C)c[nH+]1 ZINC000558599850 356034712 /nfs/dbraw/zinc/03/47/12/356034712.db2.gz UDNFJNADBQFKJN-UHFFFAOYSA-N 1 2 288.332 1.188 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@@H+](CC(N)=O)C1CCCC1 ZINC000229957789 356329419 /nfs/dbraw/zinc/32/94/19/356329419.db2.gz GBWJVMXGZOQJTR-UHFFFAOYSA-N 1 2 275.327 1.927 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@H+](CC(N)=O)C1CCCC1 ZINC000229957789 356329424 /nfs/dbraw/zinc/32/94/24/356329424.db2.gz GBWJVMXGZOQJTR-UHFFFAOYSA-N 1 2 275.327 1.927 20 30 CDEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3C[C@H]4CC[C@@H](C3)O4)C2=O)cc1 ZINC000329848247 283165699 /nfs/dbraw/zinc/16/56/99/283165699.db2.gz RKFAMUABLAIWLA-OWCLPIDISA-N 1 2 297.358 1.527 20 30 CDEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3C[C@H]4CC[C@@H](C3)O4)C2=O)cc1 ZINC000329848247 283165700 /nfs/dbraw/zinc/16/57/00/283165700.db2.gz RKFAMUABLAIWLA-OWCLPIDISA-N 1 2 297.358 1.527 20 30 CDEDLO C=CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000668569476 538451447 /nfs/dbraw/zinc/45/14/47/538451447.db2.gz ZSHNIORHBJMHFP-CHWSQXEVSA-N 1 2 259.353 1.948 20 30 CDEDLO C[C@@H](NC(=O)N1CCn2cc[nH+]c2C1)c1cccnc1 ZINC000329833784 538693657 /nfs/dbraw/zinc/69/36/57/538693657.db2.gz KWVQDBZIPQWYNZ-LLVKDONJSA-N 1 2 271.324 1.769 20 30 CDEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cnc[nH]1 ZINC000344099264 356887595 /nfs/dbraw/zinc/88/75/95/356887595.db2.gz AKKLVACIAPTTBF-UHFFFAOYSA-N 1 2 270.336 1.930 20 30 CDEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cnc[nH]1 ZINC000344099264 356887601 /nfs/dbraw/zinc/88/76/01/356887601.db2.gz AKKLVACIAPTTBF-UHFFFAOYSA-N 1 2 270.336 1.930 20 30 CDEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1c[nH]cn1 ZINC000344099264 356887607 /nfs/dbraw/zinc/88/76/07/356887607.db2.gz AKKLVACIAPTTBF-UHFFFAOYSA-N 1 2 270.336 1.930 20 30 CDEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1c[nH]cn1 ZINC000344099264 356887608 /nfs/dbraw/zinc/88/76/08/356887608.db2.gz AKKLVACIAPTTBF-UHFFFAOYSA-N 1 2 270.336 1.930 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000299302224 357017783 /nfs/dbraw/zinc/01/77/83/357017783.db2.gz OWAZMQHNBCMYIP-LLVKDONJSA-N 1 2 251.330 1.360 20 30 CDEDLO Cc1nnc(CO[NH+]=C(N)c2cccc(Cl)c2)n1C ZINC000181875001 357386611 /nfs/dbraw/zinc/38/66/11/357386611.db2.gz CHGSHMANXBWEKP-UHFFFAOYSA-N 1 2 279.731 1.614 20 30 CDEDLO COCC[N@H+](Cc1ccc(F)c(C#N)c1)[C@H](C)C(N)=O ZINC000120258426 357484240 /nfs/dbraw/zinc/48/42/40/357484240.db2.gz WXTBGTOPQUEBHQ-SNVBAGLBSA-N 1 2 279.315 1.020 20 30 CDEDLO COCC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H](C)C(N)=O ZINC000120258426 357484246 /nfs/dbraw/zinc/48/42/46/357484246.db2.gz WXTBGTOPQUEBHQ-SNVBAGLBSA-N 1 2 279.315 1.020 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)[nH]1 ZINC000337590855 358090400 /nfs/dbraw/zinc/09/04/00/358090400.db2.gz MUKJCGJUOYTSAY-CQSZACIVSA-N 1 2 281.319 1.068 20 30 CDEDLO Cc1cc(C)c(C#N)c(NC[C@H](C)[NH+]2CCN(C)CC2)n1 ZINC000264810202 358679522 /nfs/dbraw/zinc/67/95/22/358679522.db2.gz DKQYFRUDPNZDGK-AWEZNQCLSA-N 1 2 287.411 1.618 20 30 CDEDLO CC(C)[C@H]1C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000346536679 359024490 /nfs/dbraw/zinc/02/44/90/359024490.db2.gz QWPGOLIIPMBDOK-CHWSQXEVSA-N 1 2 279.384 1.294 20 30 CDEDLO CC(C)[C@H]1C[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000346536679 359024492 /nfs/dbraw/zinc/02/44/92/359024492.db2.gz QWPGOLIIPMBDOK-CHWSQXEVSA-N 1 2 279.384 1.294 20 30 CDEDLO CC[C@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)CCO1 ZINC000045752393 359169838 /nfs/dbraw/zinc/16/98/38/359169838.db2.gz OAFWLAVBXUVPJB-AWEZNQCLSA-N 1 2 293.411 1.782 20 30 CDEDLO CC[C@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)CCO1 ZINC000045752393 359169843 /nfs/dbraw/zinc/16/98/43/359169843.db2.gz OAFWLAVBXUVPJB-AWEZNQCLSA-N 1 2 293.411 1.782 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1c(C)nc2sccn21 ZINC000268227354 359359620 /nfs/dbraw/zinc/35/96/20/359359620.db2.gz KITJNICPGTWUSM-LLVKDONJSA-N 1 2 292.408 1.827 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1c(C)nc2sccn21 ZINC000268227354 359359625 /nfs/dbraw/zinc/35/96/25/359359625.db2.gz KITJNICPGTWUSM-LLVKDONJSA-N 1 2 292.408 1.827 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2ncc(C)s2)CC1 ZINC000265449834 359329488 /nfs/dbraw/zinc/32/94/88/359329488.db2.gz SZCHZNBGNHNPIO-GFCCVEGCSA-N 1 2 294.424 1.264 20 30 CDEDLO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000266914118 359345956 /nfs/dbraw/zinc/34/59/56/359345956.db2.gz JWPWQKYMFDSUCF-NSHDSACASA-N 1 2 275.308 1.877 20 30 CDEDLO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000266914118 359345958 /nfs/dbraw/zinc/34/59/58/359345958.db2.gz JWPWQKYMFDSUCF-NSHDSACASA-N 1 2 275.308 1.877 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CC[S@](=O)C[C@H](C)C2)cc1 ZINC000277535797 359566494 /nfs/dbraw/zinc/56/64/94/359566494.db2.gz QBBWKDFXKXDDEU-VLIAUNLRSA-N 1 2 291.416 1.899 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CC[S@](=O)C[C@H](C)C2)cc1 ZINC000277535797 359566499 /nfs/dbraw/zinc/56/64/99/359566499.db2.gz QBBWKDFXKXDDEU-VLIAUNLRSA-N 1 2 291.416 1.899 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]([C@H](C)C(=O)OC)C1CCC1 ZINC000276826799 359550563 /nfs/dbraw/zinc/55/05/63/359550563.db2.gz QCKBQQPZRFYHQZ-CYBMUJFWSA-N 1 2 294.395 1.603 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]([C@H](C)C(=O)OC)C1CCC1 ZINC000276826799 359550568 /nfs/dbraw/zinc/55/05/68/359550568.db2.gz QCKBQQPZRFYHQZ-CYBMUJFWSA-N 1 2 294.395 1.603 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](C)C[C@@H]1C(=O)OC ZINC000275010356 359527852 /nfs/dbraw/zinc/52/78/52/359527852.db2.gz RIFKVGHKHCNSAB-UONOGXRCSA-N 1 2 294.395 1.461 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](C)C[C@@H]1C(=O)OC ZINC000275010356 359527855 /nfs/dbraw/zinc/52/78/55/359527855.db2.gz RIFKVGHKHCNSAB-UONOGXRCSA-N 1 2 294.395 1.461 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccnc(N)c2)n1 ZINC000279656240 359590654 /nfs/dbraw/zinc/59/06/54/359590654.db2.gz CGOHPLLGOVQCQB-UHFFFAOYSA-N 1 2 269.352 1.516 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccnc(N)c2)n1 ZINC000279656240 359590656 /nfs/dbraw/zinc/59/06/56/359590656.db2.gz CGOHPLLGOVQCQB-UHFFFAOYSA-N 1 2 269.352 1.516 20 30 CDEDLO C#CCn1ccc(CN(CC)[C@H](C)C[NH+]2CCOCC2)n1 ZINC000279682569 359591872 /nfs/dbraw/zinc/59/18/72/359591872.db2.gz GSYJEKZZQQXUGK-OAHLLOKOSA-N 1 2 290.411 1.059 20 30 CDEDLO C=CC[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000335312689 359802089 /nfs/dbraw/zinc/80/20/89/359802089.db2.gz BFKJMUUUYMVJNY-NHYWBVRUSA-N 1 2 253.305 1.518 20 30 CDEDLO C=CC[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000335312689 359802092 /nfs/dbraw/zinc/80/20/92/359802092.db2.gz BFKJMUUUYMVJNY-NHYWBVRUSA-N 1 2 253.305 1.518 20 30 CDEDLO C=CC[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000187331468 359924036 /nfs/dbraw/zinc/92/40/36/359924036.db2.gz WEJWTNXTBPSYNY-INIZCTEOSA-N 1 2 288.391 1.795 20 30 CDEDLO C=CCOc1ccc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)cc1 ZINC000337402822 360109418 /nfs/dbraw/zinc/10/94/18/360109418.db2.gz MABKBFCMBIFJEG-HNNXBMFYSA-N 1 2 295.404 1.870 20 30 CDEDLO C=CCOc1ccc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)cc1 ZINC000337402822 360109426 /nfs/dbraw/zinc/10/94/26/360109426.db2.gz MABKBFCMBIFJEG-HNNXBMFYSA-N 1 2 295.404 1.870 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000424656634 360331087 /nfs/dbraw/zinc/33/10/87/360331087.db2.gz YLRNFASLQIDODZ-QWHCGFSZSA-N 1 2 268.401 1.814 20 30 CDEDLO C[C@]1(O)CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000177209982 189036629 /nfs/dbraw/zinc/03/66/29/189036629.db2.gz VEHGEEZEFCULEH-RISCZKNCSA-N 1 2 291.376 1.182 20 30 CDEDLO C[C@]1(O)CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000177209982 189036630 /nfs/dbraw/zinc/03/66/30/189036630.db2.gz VEHGEEZEFCULEH-RISCZKNCSA-N 1 2 291.376 1.182 20 30 CDEDLO C=CCCn1cc(C(=O)N(C)CCCn2cc[nH+]c2)nn1 ZINC000424733671 360348530 /nfs/dbraw/zinc/34/85/30/360348530.db2.gz HAOVXMZGKDMVBC-UHFFFAOYSA-N 1 2 288.355 1.213 20 30 CDEDLO C[C@@]1(O)CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000177999118 189084779 /nfs/dbraw/zinc/08/47/79/189084779.db2.gz YLIZOPXFJYPPHN-GFCCVEGCSA-N 1 2 265.338 1.015 20 30 CDEDLO C[C@@]1(O)CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000177999118 189084780 /nfs/dbraw/zinc/08/47/80/189084780.db2.gz YLIZOPXFJYPPHN-GFCCVEGCSA-N 1 2 265.338 1.015 20 30 CDEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCCCC#N ZINC000428982883 360735960 /nfs/dbraw/zinc/73/59/60/360735960.db2.gz UEPWTAJWCVQOMG-UHFFFAOYSA-N 1 2 275.356 1.665 20 30 CDEDLO Cc1cccc2nc(C[N@@H+](C)C[C@H](C)C#N)cc(=O)n12 ZINC000338263387 360794226 /nfs/dbraw/zinc/79/42/26/360794226.db2.gz KZPARLOUCXYWLO-LLVKDONJSA-N 1 2 270.336 1.594 20 30 CDEDLO Cc1cccc2nc(C[N@H+](C)C[C@H](C)C#N)cc(=O)n12 ZINC000338263387 360794231 /nfs/dbraw/zinc/79/42/31/360794231.db2.gz KZPARLOUCXYWLO-LLVKDONJSA-N 1 2 270.336 1.594 20 30 CDEDLO N#CCC1(CNC(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000431096777 360975539 /nfs/dbraw/zinc/97/55/39/360975539.db2.gz KWPOHPZIFZGSQM-UHFFFAOYSA-N 1 2 268.320 1.687 20 30 CDEDLO COC(=O)[C@@H]([NH+]1CCC(C)(C#N)CC1)C1(OC)CCC1 ZINC000332026094 291257673 /nfs/dbraw/zinc/25/76/73/291257673.db2.gz XFZUSQJCXXNARK-GFCCVEGCSA-N 1 2 280.368 1.723 20 30 CDEDLO C[C@@H](C(=O)NC1CCCC1)[N@H+](C)CC(C)(C)C#N ZINC000433326927 361234341 /nfs/dbraw/zinc/23/43/41/361234341.db2.gz QBJQJJDWJKNXKS-NSHDSACASA-N 1 2 251.374 1.915 20 30 CDEDLO C[C@@H](C(=O)NC1CCCC1)[N@@H+](C)CC(C)(C)C#N ZINC000433326927 361234343 /nfs/dbraw/zinc/23/43/43/361234343.db2.gz QBJQJJDWJKNXKS-NSHDSACASA-N 1 2 251.374 1.915 20 30 CDEDLO COCC[N@H+](Cc1ccc(C#N)cc1Cl)[C@H](C)C(N)=O ZINC000439454584 361262978 /nfs/dbraw/zinc/26/29/78/361262978.db2.gz SDKKCSCETXQZRT-SNVBAGLBSA-N 1 2 295.770 1.534 20 30 CDEDLO COCC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H](C)C(N)=O ZINC000439454584 361262986 /nfs/dbraw/zinc/26/29/86/361262986.db2.gz SDKKCSCETXQZRT-SNVBAGLBSA-N 1 2 295.770 1.534 20 30 CDEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)[C@@H]2CCN(C)C2=O)[C@H]1C ZINC000329098714 361446010 /nfs/dbraw/zinc/44/60/10/361446010.db2.gz YWQLMZTULLYGBO-ZOBORPQBSA-N 1 2 295.427 1.930 20 30 CDEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)[C@@H]2CCN(C)C2=O)[C@H]1C ZINC000329098714 361446018 /nfs/dbraw/zinc/44/60/18/361446018.db2.gz YWQLMZTULLYGBO-ZOBORPQBSA-N 1 2 295.427 1.930 20 30 CDEDLO Cc1nc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)nn1C ZINC000329275222 361465290 /nfs/dbraw/zinc/46/52/90/361465290.db2.gz KSMSQHOCBNNLBK-SECBINFHSA-N 1 2 260.301 1.171 20 30 CDEDLO C=CCCCS(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000644176333 364341634 /nfs/dbraw/zinc/34/16/34/364341634.db2.gz ZAQVDMWLYOVNNU-CYBMUJFWSA-N 1 2 283.397 1.816 20 30 CDEDLO N#C[C@@H]1[N@H+](CC[C@H]2CCNC2=O)CCC[C@]12CCCCO2 ZINC000580090676 364607118 /nfs/dbraw/zinc/60/71/18/364607118.db2.gz GBPNEJTYKGKHIP-IJEWVQPXSA-N 1 2 291.395 1.440 20 30 CDEDLO N#C[C@@H]1[N@@H+](CC[C@H]2CCNC2=O)CCC[C@]12CCCCO2 ZINC000580090676 364607124 /nfs/dbraw/zinc/60/71/24/364607124.db2.gz GBPNEJTYKGKHIP-IJEWVQPXSA-N 1 2 291.395 1.440 20 30 CDEDLO C=CCOCCn1cc(C[NH+]2CCSCC2)nn1 ZINC000641030064 364852951 /nfs/dbraw/zinc/85/29/51/364852951.db2.gz PTAKGRJUROPHPW-UHFFFAOYSA-N 1 2 268.386 1.030 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+](C)CC(=O)N(C)C ZINC000170953598 365173700 /nfs/dbraw/zinc/17/37/00/365173700.db2.gz VJYKYPMTWROVLD-UHFFFAOYSA-N 1 2 260.337 1.219 20 30 CDEDLO C#CCOc1ccccc1C[N@H+](C)CC(=O)N(C)C ZINC000170953598 365173703 /nfs/dbraw/zinc/17/37/03/365173703.db2.gz VJYKYPMTWROVLD-UHFFFAOYSA-N 1 2 260.337 1.219 20 30 CDEDLO C[C@@H](C#N)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000357828006 367236825 /nfs/dbraw/zinc/23/68/25/367236825.db2.gz MPYRAXNYZJJXPA-LBPRGKRZSA-N 1 2 273.336 1.617 20 30 CDEDLO CCC[N@H+](CC(=O)NC)Cc1ccc(C#N)s1 ZINC000130620693 367727073 /nfs/dbraw/zinc/72/70/73/367727073.db2.gz ZNHDVFJEEKDZPN-UHFFFAOYSA-N 1 2 251.355 1.578 20 30 CDEDLO CCC[N@@H+](CC(=O)NC)Cc1ccc(C#N)s1 ZINC000130620693 367727083 /nfs/dbraw/zinc/72/70/83/367727083.db2.gz ZNHDVFJEEKDZPN-UHFFFAOYSA-N 1 2 251.355 1.578 20 30 CDEDLO Cc1cccn2cc(CC(=O)NC(C)(C)C#N)[nH+]c12 ZINC000541900416 368699998 /nfs/dbraw/zinc/69/99/98/368699998.db2.gz VZSJBXWNJUNHDG-UHFFFAOYSA-N 1 2 256.309 1.604 20 30 CDEDLO C=CCCN(C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000276009741 193186910 /nfs/dbraw/zinc/18/69/10/193186910.db2.gz ANNQHQAXNCAPGM-UHFFFAOYSA-N 1 2 262.357 1.865 20 30 CDEDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(C#N)cc1 ZINC000170716648 368672666 /nfs/dbraw/zinc/67/26/66/368672666.db2.gz SSVXSSGPRGVKOC-UHFFFAOYSA-N 1 2 288.351 1.354 20 30 CDEDLO C=CCOCCCC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000361789136 369043833 /nfs/dbraw/zinc/04/38/33/369043833.db2.gz UXXWMCQMVBZYFA-UHFFFAOYSA-N 1 2 292.383 1.037 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)[C@@H](C)CO1 ZINC000330693352 203124221 /nfs/dbraw/zinc/12/42/21/203124221.db2.gz HQAWKRMCHQQIIT-QWHCGFSZSA-N 1 2 287.363 1.284 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)[C@@H](C)CO1 ZINC000330693352 203124225 /nfs/dbraw/zinc/12/42/25/203124225.db2.gz HQAWKRMCHQQIIT-QWHCGFSZSA-N 1 2 287.363 1.284 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081062881 369931566 /nfs/dbraw/zinc/93/15/66/369931566.db2.gz LBOBWLWKELOYMI-HNNXBMFYSA-N 1 2 276.384 1.667 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081062881 369931573 /nfs/dbraw/zinc/93/15/73/369931573.db2.gz LBOBWLWKELOYMI-HNNXBMFYSA-N 1 2 276.384 1.667 20 30 CDEDLO CN(CCc1ccccn1)C(=O)C[NH2+]C[C@@H](C#N)CCC#N ZINC000554552285 370224810 /nfs/dbraw/zinc/22/48/10/370224810.db2.gz QIUCFIFHENQKRV-CQSZACIVSA-N 1 2 299.378 1.116 20 30 CDEDLO C[N@H+](CCC#N)C[C@H]1CN(c2ccccc2)CCO1 ZINC000565841327 370548389 /nfs/dbraw/zinc/54/83/89/370548389.db2.gz SNHMAWSQFJVNPI-HNNXBMFYSA-N 1 2 259.353 1.737 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H]1CN(c2ccccc2)CCO1 ZINC000565841327 370548394 /nfs/dbraw/zinc/54/83/94/370548394.db2.gz SNHMAWSQFJVNPI-HNNXBMFYSA-N 1 2 259.353 1.737 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3CCO[C@@H](C#N)C3)ccn12 ZINC000568291889 371216522 /nfs/dbraw/zinc/21/65/22/371216522.db2.gz XJGUCDXDXDBFNX-LBPRGKRZSA-N 1 2 270.292 1.007 20 30 CDEDLO C=C(C)CS(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000568468428 371224103 /nfs/dbraw/zinc/22/41/03/371224103.db2.gz GCSNUSYQWXWULN-UHFFFAOYSA-N 1 2 257.359 1.159 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CSC[C@H]1CCCCO1 ZINC000568753530 371230731 /nfs/dbraw/zinc/23/07/31/371230731.db2.gz SAAOCBNOFFPJNQ-TZMCWYRMSA-N 1 2 299.440 1.249 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000044810402 371515445 /nfs/dbraw/zinc/51/54/45/371515445.db2.gz XDKYAUYZEZXOOU-GFCCVEGCSA-N 1 2 258.325 1.280 20 30 CDEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cc(C)no1 ZINC000579489592 372578481 /nfs/dbraw/zinc/57/84/81/372578481.db2.gz AFVNSRSKHNNVAI-NXEZZACHSA-N 1 2 250.302 1.592 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000182233477 372597483 /nfs/dbraw/zinc/59/74/83/372597483.db2.gz AZXVOVOMJDBRSH-UHFFFAOYSA-N 1 2 293.333 1.247 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000182233477 372597492 /nfs/dbraw/zinc/59/74/92/372597492.db2.gz AZXVOVOMJDBRSH-UHFFFAOYSA-N 1 2 293.333 1.247 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CSCC(F)(F)F ZINC000579718556 372637238 /nfs/dbraw/zinc/63/72/38/372637238.db2.gz UYUSURYLCXWMSC-VIFPVBQESA-N 1 2 283.319 1.242 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1ccnn1C ZINC000348369624 373120099 /nfs/dbraw/zinc/12/00/99/373120099.db2.gz VCXRFWOFENSUAC-LBPRGKRZSA-N 1 2 297.362 1.751 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1ccnn1C ZINC000348369624 373120113 /nfs/dbraw/zinc/12/01/13/373120113.db2.gz VCXRFWOFENSUAC-LBPRGKRZSA-N 1 2 297.362 1.751 20 30 CDEDLO C=CC[N@@H+](CCOC)CC(=O)N1CCc2ccccc21 ZINC000191083877 373441503 /nfs/dbraw/zinc/44/15/03/373441503.db2.gz IPAOFNQJOXMZNE-UHFFFAOYSA-N 1 2 274.364 1.710 20 30 CDEDLO C=CC[N@H+](CCOC)CC(=O)N1CCc2ccccc21 ZINC000191083877 373441507 /nfs/dbraw/zinc/44/15/07/373441507.db2.gz IPAOFNQJOXMZNE-UHFFFAOYSA-N 1 2 274.364 1.710 20 30 CDEDLO CCOC(=O)[C@H]([NH2+]Cc1cc(C#N)n(C)c1)[C@@H](C)CC ZINC000191543943 373518109 /nfs/dbraw/zinc/51/81/09/373518109.db2.gz VSNNOAAAILVRAV-SMDDNHRTSA-N 1 2 277.368 1.964 20 30 CDEDLO C=CCC1(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CCC1 ZINC000191427117 373488236 /nfs/dbraw/zinc/48/82/36/373488236.db2.gz MVMWWWOUGDQDNO-CQSZACIVSA-N 1 2 279.428 1.485 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000357266891 373903804 /nfs/dbraw/zinc/90/38/04/373903804.db2.gz VDFRHOAWMPINHQ-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000357266891 373903811 /nfs/dbraw/zinc/90/38/11/373903811.db2.gz VDFRHOAWMPINHQ-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO C[N@H+](CCOc1cccc(C#N)c1)Cc1cnc[nH]1 ZINC000619510909 374052714 /nfs/dbraw/zinc/05/27/14/374052714.db2.gz KQXWQQPKWMWNIG-UHFFFAOYSA-N 1 2 256.309 1.792 20 30 CDEDLO C[N@@H+](CCOc1cccc(C#N)c1)Cc1cnc[nH]1 ZINC000619510909 374052723 /nfs/dbraw/zinc/05/27/23/374052723.db2.gz KQXWQQPKWMWNIG-UHFFFAOYSA-N 1 2 256.309 1.792 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(F)cc1F ZINC000043633870 374339576 /nfs/dbraw/zinc/33/95/76/374339576.db2.gz YODPHPYVWPASGQ-SNVBAGLBSA-N 1 2 266.291 1.535 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1F ZINC000043633870 374339581 /nfs/dbraw/zinc/33/95/81/374339581.db2.gz YODPHPYVWPASGQ-SNVBAGLBSA-N 1 2 266.291 1.535 20 30 CDEDLO COCC(=O)N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118393440 374657390 /nfs/dbraw/zinc/65/73/90/374657390.db2.gz KRAZPVZYPIEBMX-ZDUSSCGKSA-N 1 2 287.363 1.410 20 30 CDEDLO COCC[N@H+](CC(=O)N(C)C)Cc1cc(C#N)cs1 ZINC000091774485 374672439 /nfs/dbraw/zinc/67/24/39/374672439.db2.gz SRKQGYWSFGNMIJ-UHFFFAOYSA-N 1 2 281.381 1.156 20 30 CDEDLO COCC[N@@H+](CC(=O)N(C)C)Cc1cc(C#N)cs1 ZINC000091774485 374672443 /nfs/dbraw/zinc/67/24/43/374672443.db2.gz SRKQGYWSFGNMIJ-UHFFFAOYSA-N 1 2 281.381 1.156 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@@H](C)[S@@](=O)CC2)cc1C#N ZINC000277159848 374774170 /nfs/dbraw/zinc/77/41/70/374774170.db2.gz KCXILCHZFGWNBB-ODXCJYRJSA-N 1 2 292.404 1.910 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@@H](C)[S@@](=O)CC2)cc1C#N ZINC000277159848 374774176 /nfs/dbraw/zinc/77/41/76/374774176.db2.gz KCXILCHZFGWNBB-ODXCJYRJSA-N 1 2 292.404 1.910 20 30 CDEDLO Cc1nocc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000293783617 374789405 /nfs/dbraw/zinc/78/94/05/374789405.db2.gz BFIJXFCEZKCGJN-LLVKDONJSA-N 1 2 298.350 1.355 20 30 CDEDLO Cc1nocc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000293783617 374789413 /nfs/dbraw/zinc/78/94/13/374789413.db2.gz BFIJXFCEZKCGJN-LLVKDONJSA-N 1 2 298.350 1.355 20 30 CDEDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000124819805 374851163 /nfs/dbraw/zinc/85/11/63/374851163.db2.gz WLXRXHKFPACLKM-LLVKDONJSA-N 1 2 250.323 1.757 20 30 CDEDLO COC(=O)[C@H]1CCC[N@H+]1Cc1cc(C#N)cs1 ZINC000124819805 374851170 /nfs/dbraw/zinc/85/11/70/374851170.db2.gz WLXRXHKFPACLKM-LLVKDONJSA-N 1 2 250.323 1.757 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N(C)Cc1ccc(C#N)cc1F ZINC000279682291 374948620 /nfs/dbraw/zinc/94/86/20/374948620.db2.gz GRRSVHLSQUGWTQ-CYBMUJFWSA-N 1 2 291.370 1.850 20 30 CDEDLO COC(=O)[C@@H](C)[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000280738424 375018482 /nfs/dbraw/zinc/01/84/82/375018482.db2.gz MAHUROKKYFQUFL-MFKMUULPSA-N 1 2 262.309 1.085 20 30 CDEDLO COC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000280738424 375018490 /nfs/dbraw/zinc/01/84/90/375018490.db2.gz MAHUROKKYFQUFL-MFKMUULPSA-N 1 2 262.309 1.085 20 30 CDEDLO Cn1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)n1 ZINC000332405011 375030541 /nfs/dbraw/zinc/03/05/41/375030541.db2.gz BIRGWGSDEXOVLB-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO COc1cc(C[N@@H+]2CC[S@@](=O)C[C@@H](C)C2)ccc1C#N ZINC000282318285 375079269 /nfs/dbraw/zinc/07/92/69/375079269.db2.gz NLHFFHMJKAXISW-FKIZINRSSA-N 1 2 292.404 1.767 20 30 CDEDLO COc1cc(C[N@H+]2CC[S@@](=O)C[C@@H](C)C2)ccc1C#N ZINC000282318285 375079276 /nfs/dbraw/zinc/07/92/76/375079276.db2.gz NLHFFHMJKAXISW-FKIZINRSSA-N 1 2 292.404 1.767 20 30 CDEDLO C=CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000047605771 375231634 /nfs/dbraw/zinc/23/16/34/375231634.db2.gz AEQUOIHLNRGCGB-UHFFFAOYSA-N 1 2 260.341 1.536 20 30 CDEDLO CC[C@H](C(=O)N[C@@H]1C=C[C@H](CO)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000328799622 375975329 /nfs/dbraw/zinc/97/53/29/375975329.db2.gz XSFHQVWLTUDXFP-GBJTYRQASA-N 1 2 296.411 1.769 20 30 CDEDLO CC[C@H](C(=O)N[C@@H]1C=C[C@H](CO)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000328799622 375975336 /nfs/dbraw/zinc/97/53/36/375975336.db2.gz XSFHQVWLTUDXFP-GBJTYRQASA-N 1 2 296.411 1.769 20 30 CDEDLO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328661357 375913474 /nfs/dbraw/zinc/91/34/74/375913474.db2.gz ACEWVCVHXNRBAU-BNOWGMLFSA-N 1 2 282.384 1.764 20 30 CDEDLO C[C@H](C(=O)NC1CCCCC1)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328661357 375913478 /nfs/dbraw/zinc/91/34/78/375913478.db2.gz ACEWVCVHXNRBAU-BNOWGMLFSA-N 1 2 282.384 1.764 20 30 CDEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)C1 ZINC000328748906 375944521 /nfs/dbraw/zinc/94/45/21/375944521.db2.gz BJPFUHJFHJDVGU-GMTAPVOTSA-N 1 2 261.329 1.382 20 30 CDEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)C1 ZINC000328748906 375944525 /nfs/dbraw/zinc/94/45/25/375944525.db2.gz BJPFUHJFHJDVGU-GMTAPVOTSA-N 1 2 261.329 1.382 20 30 CDEDLO C[NH+]1CCN(CCCNC(=O)c2ccc(O)cc2F)CC1 ZINC000331238005 376789741 /nfs/dbraw/zinc/78/97/41/376789741.db2.gz MZJQSDXUADHPJJ-UHFFFAOYSA-N 1 2 295.358 1.473 20 30 CDEDLO CN1CC[NH+](CCCNC(=O)c2ccc(O)cc2F)CC1 ZINC000331238005 376789751 /nfs/dbraw/zinc/78/97/51/376789751.db2.gz MZJQSDXUADHPJJ-UHFFFAOYSA-N 1 2 295.358 1.473 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(F)c1F ZINC000571885480 377579353 /nfs/dbraw/zinc/57/93/53/377579353.db2.gz OTJBYZZQEVYFSG-CYBMUJFWSA-N 1 2 267.279 1.538 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000069038981 377790397 /nfs/dbraw/zinc/79/03/97/377790397.db2.gz PIBJVJHHHHNFFC-MJBXVCDLSA-N 1 2 293.411 1.827 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000069038981 377790403 /nfs/dbraw/zinc/79/04/03/377790403.db2.gz PIBJVJHHHHNFFC-MJBXVCDLSA-N 1 2 293.411 1.827 20 30 CDEDLO Cn1cc[nH+]c1CN1CCN(c2ncccc2C#N)CC1 ZINC000069348515 378015668 /nfs/dbraw/zinc/01/56/68/378015668.db2.gz ZYCYZXDCIXZADM-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO CC#CC(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000283783575 378123484 /nfs/dbraw/zinc/12/34/84/378123484.db2.gz NZAYPRFBWFBMRZ-UHFFFAOYSA-N 1 2 299.374 1.313 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000192236241 378176799 /nfs/dbraw/zinc/17/67/99/378176799.db2.gz USOKFTFFHAQVPP-JTQLQIEISA-N 1 2 261.281 1.487 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000192236241 378176803 /nfs/dbraw/zinc/17/68/03/378176803.db2.gz USOKFTFFHAQVPP-JTQLQIEISA-N 1 2 261.281 1.487 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000192239131 378177547 /nfs/dbraw/zinc/17/75/47/378177547.db2.gz BRHITRSRQRYTLT-LLVKDONJSA-N 1 2 275.308 1.795 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000192239131 378177552 /nfs/dbraw/zinc/17/75/52/378177552.db2.gz BRHITRSRQRYTLT-LLVKDONJSA-N 1 2 275.308 1.795 20 30 CDEDLO CC#CC[N@H+](C)C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000292899812 378523924 /nfs/dbraw/zinc/52/39/24/378523924.db2.gz AGCZLXBSSUZVKC-OAHLLOKOSA-N 1 2 295.404 1.253 20 30 CDEDLO CC#CC[N@@H+](C)C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000292899812 378523928 /nfs/dbraw/zinc/52/39/28/378523928.db2.gz AGCZLXBSSUZVKC-OAHLLOKOSA-N 1 2 295.404 1.253 20 30 CDEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000293271934 378552631 /nfs/dbraw/zinc/55/26/31/378552631.db2.gz UXMMKCVHMXZPRC-LBPRGKRZSA-N 1 2 262.357 1.746 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000293271934 378552636 /nfs/dbraw/zinc/55/26/36/378552636.db2.gz UXMMKCVHMXZPRC-LBPRGKRZSA-N 1 2 262.357 1.746 20 30 CDEDLO C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(CCC#N)CC2)C1 ZINC000066566540 378681448 /nfs/dbraw/zinc/68/14/48/378681448.db2.gz KFNUKHDOHJPLQB-GJZGRUSLSA-N 1 2 292.427 1.213 20 30 CDEDLO N#Cc1cccc(Cl)c1NCCC[N@@H+]1CCNC(=O)C1 ZINC000278812173 194164558 /nfs/dbraw/zinc/16/45/58/194164558.db2.gz SHRHBEKBPSEUJZ-UHFFFAOYSA-N 1 2 292.770 1.445 20 30 CDEDLO N#Cc1cccc(Cl)c1NCCC[N@H+]1CCNC(=O)C1 ZINC000278812173 194164561 /nfs/dbraw/zinc/16/45/61/194164561.db2.gz SHRHBEKBPSEUJZ-UHFFFAOYSA-N 1 2 292.770 1.445 20 30 CDEDLO CN(Cc1ccc(C#N)cc1)C(=O)CCc1[nH]cc[nH+]1 ZINC000279267132 194359038 /nfs/dbraw/zinc/35/90/38/194359038.db2.gz VSMITJUNYXLKGC-UHFFFAOYSA-N 1 2 268.320 1.873 20 30 CDEDLO C=CC[C@H](CC)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000281059452 195088906 /nfs/dbraw/zinc/08/89/06/195088906.db2.gz RKORXOYVZGOOJI-NEPJUHHUSA-N 1 2 250.346 1.926 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000281140931 195121516 /nfs/dbraw/zinc/12/15/16/195121516.db2.gz UOGWWFOMMNKGJW-UHFFFAOYSA-N 1 2 289.335 1.054 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)CC#Cc2ccc(F)cc2)C1=O ZINC000281239260 195162699 /nfs/dbraw/zinc/16/26/99/195162699.db2.gz FZWSKGSDGZUDNG-MRXNPFEDSA-N 1 2 286.350 1.896 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C1=O ZINC000281239260 195162701 /nfs/dbraw/zinc/16/27/01/195162701.db2.gz FZWSKGSDGZUDNG-MRXNPFEDSA-N 1 2 286.350 1.896 20 30 CDEDLO C=CCN1CC[C@H]([NH2+][C@H](C)c2nnc3ccccn32)C1=O ZINC000281294444 195185489 /nfs/dbraw/zinc/18/54/89/195185489.db2.gz JKENWNAFBLBLFG-NEPJUHHUSA-N 1 2 285.351 1.167 20 30 CDEDLO C#C[C@H](C)NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000281436030 195240323 /nfs/dbraw/zinc/24/03/23/195240323.db2.gz CDJQSVDKFOKCKJ-QMMMGPOBSA-N 1 2 277.274 1.761 20 30 CDEDLO N#C[C@@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCO1 ZINC000106047709 390527327 /nfs/dbraw/zinc/52/73/27/390527327.db2.gz WXYGKXUCULNSNM-OAHLLOKOSA-N 1 2 296.330 1.296 20 30 CDEDLO Cc1ccccc1-c1noc([C@H](C)O[NH+]=C(N)CCO)n1 ZINC000121309854 390883196 /nfs/dbraw/zinc/88/31/96/390883196.db2.gz XUSQEHJRCSDSJL-JTQLQIEISA-N 1 2 290.323 1.777 20 30 CDEDLO CNC(=O)[C@H]1C[N@@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000248437100 391018635 /nfs/dbraw/zinc/01/86/35/391018635.db2.gz GUXNANZUEMLXKG-BXUZGUMPSA-N 1 2 273.336 1.066 20 30 CDEDLO CNC(=O)[C@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000248437100 391018639 /nfs/dbraw/zinc/01/86/39/391018639.db2.gz GUXNANZUEMLXKG-BXUZGUMPSA-N 1 2 273.336 1.066 20 30 CDEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000293350388 391026495 /nfs/dbraw/zinc/02/64/95/391026495.db2.gz ZFTAIADLOZJZND-LBPRGKRZSA-N 1 2 288.347 1.740 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000293350388 391026499 /nfs/dbraw/zinc/02/64/99/391026499.db2.gz ZFTAIADLOZJZND-LBPRGKRZSA-N 1 2 288.347 1.740 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)cc1F ZINC000365234517 390967704 /nfs/dbraw/zinc/96/77/04/390967704.db2.gz OEGWNSHGRBADHD-LBPRGKRZSA-N 1 2 275.283 1.334 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)cc1F ZINC000365234517 390967705 /nfs/dbraw/zinc/96/77/05/390967705.db2.gz OEGWNSHGRBADHD-LBPRGKRZSA-N 1 2 275.283 1.334 20 30 CDEDLO CC[C@]1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CCO1 ZINC000329537879 391008135 /nfs/dbraw/zinc/00/81/35/391008135.db2.gz BUJVODABICHJAD-IAQYHMDHSA-N 1 2 292.383 1.682 20 30 CDEDLO CC[C@]1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CCO1 ZINC000329537879 391008138 /nfs/dbraw/zinc/00/81/38/391008138.db2.gz BUJVODABICHJAD-IAQYHMDHSA-N 1 2 292.383 1.682 20 30 CDEDLO Cn1c[nH+]cc1CN(c1ccc(C#N)cc1)S(C)(=O)=O ZINC000439558108 391052825 /nfs/dbraw/zinc/05/28/25/391052825.db2.gz XXMOFNXOSLMGPE-UHFFFAOYSA-N 1 2 290.348 1.258 20 30 CDEDLO C#C[C@H](C)NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296991971 391063000 /nfs/dbraw/zinc/06/30/00/391063000.db2.gz UMIUDRIULCQTAJ-WDEREUQCSA-N 1 2 260.341 1.534 20 30 CDEDLO C=CCOc1ccccc1C[N@@H+]1CCn2cnnc2C1 ZINC000121850131 391149206 /nfs/dbraw/zinc/14/92/06/391149206.db2.gz FXCHAPAKWBGRCG-UHFFFAOYSA-N 1 2 270.336 1.859 20 30 CDEDLO C=CCOc1ccccc1C[N@H+]1CCn2cnnc2C1 ZINC000121850131 391149209 /nfs/dbraw/zinc/14/92/09/391149209.db2.gz FXCHAPAKWBGRCG-UHFFFAOYSA-N 1 2 270.336 1.859 20 30 CDEDLO N#CC1(F)CC[NH+](CC(=O)NCc2cccnc2)CC1 ZINC000352468248 391149455 /nfs/dbraw/zinc/14/94/55/391149455.db2.gz PXZXUWUADPQRKM-UHFFFAOYSA-N 1 2 276.315 1.025 20 30 CDEDLO C=CCN1CC(=O)N([C@@H]2CCN(c3cccc[nH+]3)C2)C1=O ZINC000373882587 391135977 /nfs/dbraw/zinc/13/59/77/391135977.db2.gz QHKUYOFGTBVFJQ-GFCCVEGCSA-N 1 2 286.335 1.111 20 30 CDEDLO N#CCCN(C/C=C/Cl)CC[NH+]1CCOCC1 ZINC000177028298 391162475 /nfs/dbraw/zinc/16/24/75/391162475.db2.gz ZBGYUMZJDUEDPF-HNQUOIGGSA-N 1 2 257.765 1.287 20 30 CDEDLO NC(=[NH+]OCCC1OCCCO1)c1ccc(F)c(F)c1 ZINC000268529336 391218961 /nfs/dbraw/zinc/21/89/61/391218961.db2.gz WQNFMPLJWCJLIG-UHFFFAOYSA-N 1 2 286.278 1.755 20 30 CDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCCCC#N ZINC000376368328 391225378 /nfs/dbraw/zinc/22/53/78/391225378.db2.gz SNXSLQHPGWMDQA-UONOGXRCSA-N 1 2 294.399 1.185 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000491732020 391247805 /nfs/dbraw/zinc/24/78/05/391247805.db2.gz QQIUNXCOBLLRID-VIFPVBQESA-N 1 2 275.264 1.414 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000491732020 391247806 /nfs/dbraw/zinc/24/78/06/391247806.db2.gz QQIUNXCOBLLRID-VIFPVBQESA-N 1 2 275.264 1.414 20 30 CDEDLO Cn1c[nH+]cc1CN1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000375919030 391207108 /nfs/dbraw/zinc/20/71/08/391207108.db2.gz YMHHZRIBYKYQFK-LSDHHAIUSA-N 1 2 274.368 1.847 20 30 CDEDLO C#C[C@H]1COCCN1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000491745852 391267962 /nfs/dbraw/zinc/26/79/62/391267962.db2.gz KWAIHRCABRKYMZ-ZDUSSCGKSA-N 1 2 273.336 1.873 20 30 CDEDLO CC[C@H](CC#N)NC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000339350841 391287229 /nfs/dbraw/zinc/28/72/29/391287229.db2.gz GHILFKQSUWYIMR-MGPQQGTHSA-N 1 2 281.400 1.684 20 30 CDEDLO CC[C@H](CC#N)NC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000339350841 391287231 /nfs/dbraw/zinc/28/72/31/391287231.db2.gz GHILFKQSUWYIMR-MGPQQGTHSA-N 1 2 281.400 1.684 20 30 CDEDLO C[C@H](C#N)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000345765103 391311433 /nfs/dbraw/zinc/31/14/33/391311433.db2.gz OZFSACYUJYGIIA-CYBMUJFWSA-N 1 2 286.379 1.532 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000346231841 391340478 /nfs/dbraw/zinc/34/04/78/391340478.db2.gz UNNRFONONSHTEO-KBPBESRZSA-N 1 2 277.368 1.713 20 30 CDEDLO C=CCn1cccc1-c1nc([C@H]2C[NH+]3CCN2CC3)no1 ZINC000346800567 391369409 /nfs/dbraw/zinc/36/94/09/391369409.db2.gz RSLGVSXQNFFEJU-CYBMUJFWSA-N 1 2 285.351 1.396 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)NC[C@@H](C)C#N)cc2n1C ZINC000335759563 391563275 /nfs/dbraw/zinc/56/32/75/391563275.db2.gz WRDSAWVHLKSXIN-VIFPVBQESA-N 1 2 256.309 1.771 20 30 CDEDLO C=CC[N@@H+](C)CCN(CC)C[C@H]1CCCS(=O)(=O)C1 ZINC000411644664 391500332 /nfs/dbraw/zinc/50/03/32/391500332.db2.gz JVWIJLNUMJSATL-CQSZACIVSA-N 1 2 288.457 1.251 20 30 CDEDLO C=CC[N@H+](C)CCN(CC)C[C@H]1CCCS(=O)(=O)C1 ZINC000411644664 391500337 /nfs/dbraw/zinc/50/03/37/391500337.db2.gz JVWIJLNUMJSATL-CQSZACIVSA-N 1 2 288.457 1.251 20 30 CDEDLO CSC1(C[N@@H+]2CCN(C3CC3)[C@H](C#N)C2)CC1 ZINC000367356836 391614865 /nfs/dbraw/zinc/61/48/65/391614865.db2.gz QMEFYVYGDPFOID-GFCCVEGCSA-N 1 2 251.399 1.554 20 30 CDEDLO CSC1(C[N@H+]2CCN(C3CC3)[C@H](C#N)C2)CC1 ZINC000367356836 391614870 /nfs/dbraw/zinc/61/48/70/391614870.db2.gz QMEFYVYGDPFOID-GFCCVEGCSA-N 1 2 251.399 1.554 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000519868318 391716538 /nfs/dbraw/zinc/71/65/38/391716538.db2.gz SMZRPAHWOMKLRW-UTUOFQBUSA-N 1 2 263.341 1.671 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2F)C1=O ZINC000281119758 391657603 /nfs/dbraw/zinc/65/76/03/391657603.db2.gz BZNLPGSLWUCYLO-HNNXBMFYSA-N 1 2 287.338 1.916 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1=O ZINC000281119758 391657605 /nfs/dbraw/zinc/65/76/05/391657605.db2.gz BZNLPGSLWUCYLO-HNNXBMFYSA-N 1 2 287.338 1.916 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cncc1F ZINC000285896680 391718203 /nfs/dbraw/zinc/71/82/03/391718203.db2.gz ZMVOSFHZGZZMBX-IUCAKERBSA-N 1 2 267.279 1.148 20 30 CDEDLO CN1CC[C@@H]([N@H+](C)CC(=O)NC2(C#N)CCCCC2)C1=O ZINC000329100590 391751332 /nfs/dbraw/zinc/75/13/32/391751332.db2.gz ZNLKWMKXAFQFRU-GFCCVEGCSA-N 1 2 292.383 1.332 20 30 CDEDLO CN1CC[C@@H]([N@@H+](C)CC(=O)NC2(C#N)CCCCC2)C1=O ZINC000329100590 391751334 /nfs/dbraw/zinc/75/13/34/391751334.db2.gz ZNLKWMKXAFQFRU-GFCCVEGCSA-N 1 2 292.383 1.332 20 30 CDEDLO CC[C@@H]1CC[C@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)O1 ZINC000329783481 391777823 /nfs/dbraw/zinc/77/78/23/391777823.db2.gz VCXAEDHRFJWQHX-IJLUTSLNSA-N 1 2 256.346 1.231 20 30 CDEDLO CC[C@@H]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)O1 ZINC000329783481 391777829 /nfs/dbraw/zinc/77/78/29/391777829.db2.gz VCXAEDHRFJWQHX-IJLUTSLNSA-N 1 2 256.346 1.231 20 30 CDEDLO COc1cccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1 ZINC000329896488 391795759 /nfs/dbraw/zinc/79/57/59/391795759.db2.gz CMPWVQGSGMAZLY-KGLIPLIRSA-N 1 2 291.351 1.256 20 30 CDEDLO COc1cccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1 ZINC000329896488 391795762 /nfs/dbraw/zinc/79/57/62/391795762.db2.gz CMPWVQGSGMAZLY-KGLIPLIRSA-N 1 2 291.351 1.256 20 30 CDEDLO O=C(NCC1([NH+]2CCOCC2)CC1)[C@@H]1CCC(=O)NC1 ZINC000329902167 391797020 /nfs/dbraw/zinc/79/70/20/391797020.db2.gz PEUMGLCFZHVAFW-LLVKDONJSA-N 1 2 281.356 1.174 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C(C)C)n(C)n2)CC1 ZINC000266956032 392093077 /nfs/dbraw/zinc/09/30/77/392093077.db2.gz UYKZEKXPFMEJBJ-UHFFFAOYSA-N 1 2 288.395 1.325 20 30 CDEDLO C#CC[N@@H+](CC)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000267564152 392094471 /nfs/dbraw/zinc/09/44/71/392094471.db2.gz BNFSNGRHQBVFNG-GFCCVEGCSA-N 1 2 273.361 1.680 20 30 CDEDLO C#CC[N@H+](CC)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000267564152 392094476 /nfs/dbraw/zinc/09/44/76/392094476.db2.gz BNFSNGRHQBVFNG-GFCCVEGCSA-N 1 2 273.361 1.680 20 30 CDEDLO CN(C)c1ccc(CNC(=O)c2ccc(C#N)c(O)c2)c[nH+]1 ZINC000442626804 392440479 /nfs/dbraw/zinc/44/04/79/392440479.db2.gz IQEANDZXZBCARK-UHFFFAOYSA-N 1 2 296.330 1.655 20 30 CDEDLO N#Cc1ccc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000548630791 392500402 /nfs/dbraw/zinc/50/04/02/392500402.db2.gz GAJOCZURSCULFN-ZDUSSCGKSA-N 1 2 281.319 1.891 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)Nc2cccc(C#N)c2)C1 ZINC000194735278 392879994 /nfs/dbraw/zinc/87/99/94/392879994.db2.gz QRXWMUPYDKVYIN-CYBMUJFWSA-N 1 2 274.324 1.010 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)Nc2cccc(C#N)c2)C1 ZINC000194735278 392880001 /nfs/dbraw/zinc/88/00/01/392880001.db2.gz QRXWMUPYDKVYIN-CYBMUJFWSA-N 1 2 274.324 1.010 20 30 CDEDLO Cc1cc(NCCCOC[C@@H]2CCOC2)c(C#N)c[nH+]1 ZINC000425239445 393000492 /nfs/dbraw/zinc/00/04/92/393000492.db2.gz WWZBMDMUMZEUKW-ZDUSSCGKSA-N 1 2 275.352 1.539 20 30 CDEDLO C[C@@H](O)C(=O)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186354531 140059899 /nfs/dbraw/zinc/05/98/99/140059899.db2.gz UIIZZCUQEVFGGG-QWHCGFSZSA-N 1 2 287.363 1.144 20 30 CDEDLO Cn1cnnc1C[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000286925568 397994704 /nfs/dbraw/zinc/99/47/04/397994704.db2.gz KWJCRDUYLXIBLQ-UHFFFAOYSA-N 1 2 285.351 1.588 20 30 CDEDLO Cn1cnnc1C[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000286925568 397994710 /nfs/dbraw/zinc/99/47/10/397994710.db2.gz KWJCRDUYLXIBLQ-UHFFFAOYSA-N 1 2 285.351 1.588 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2ccc(C#N)c(C)c2)CCO1 ZINC000488413259 398126250 /nfs/dbraw/zinc/12/62/50/398126250.db2.gz YUZGALZDHDQCLD-HNNXBMFYSA-N 1 2 260.337 1.714 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(C)c2)CCO1 ZINC000488413259 398126258 /nfs/dbraw/zinc/12/62/58/398126258.db2.gz YUZGALZDHDQCLD-HNNXBMFYSA-N 1 2 260.337 1.714 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@](F)(CO)C2)c1 ZINC000334165006 149322798 /nfs/dbraw/zinc/32/27/98/149322798.db2.gz ACKHPZYIHJBFFU-ZDUSSCGKSA-N 1 2 252.264 1.604 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@](F)(CO)C2)c1 ZINC000334165006 149322801 /nfs/dbraw/zinc/32/28/01/149322801.db2.gz ACKHPZYIHJBFFU-ZDUSSCGKSA-N 1 2 252.264 1.604 20 30 CDEDLO Cc1c(C#N)cccc1-c1nc([C@@H]2C[NH+]3CCN2CC3)no1 ZINC000346790560 153302155 /nfs/dbraw/zinc/30/21/55/153302155.db2.gz JKGHKHOENACKNT-AWEZNQCLSA-N 1 2 295.346 1.589 20 30 CDEDLO Cn1cc([C@@H]2C[N@H+](Cc3cc(C#N)n(C)c3)CCO2)cn1 ZINC000375450783 160382455 /nfs/dbraw/zinc/38/24/55/160382455.db2.gz DQHRRZUQFNRUQF-HNNXBMFYSA-N 1 2 285.351 1.204 20 30 CDEDLO Cn1cc([C@@H]2C[N@@H+](Cc3cc(C#N)n(C)c3)CCO2)cn1 ZINC000375450783 160382456 /nfs/dbraw/zinc/38/24/56/160382456.db2.gz DQHRRZUQFNRUQF-HNNXBMFYSA-N 1 2 285.351 1.204 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCn3c[nH+]cc3C2)cc1O ZINC000359484922 158261638 /nfs/dbraw/zinc/26/16/38/158261638.db2.gz SMAZFOCSFDJBJN-UHFFFAOYSA-N 1 2 268.276 1.116 20 30 CDEDLO N#Cc1ccc(SCC(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000359700793 158343481 /nfs/dbraw/zinc/34/34/81/158343481.db2.gz QYVJYJVBWYGNEZ-UHFFFAOYSA-N 1 2 272.333 1.690 20 30 CDEDLO N#Cc1ccc(SCC(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000359700793 158343482 /nfs/dbraw/zinc/34/34/82/158343482.db2.gz QYVJYJVBWYGNEZ-UHFFFAOYSA-N 1 2 272.333 1.690 20 30 CDEDLO C=CCN(C(=O)NCCCn1cc[nH+]c1)[C@H](C)COC ZINC000656541126 413395830 /nfs/dbraw/zinc/39/58/30/413395830.db2.gz FGISQEKTLUVQLS-CYBMUJFWSA-N 1 2 280.372 1.506 20 30 CDEDLO C=C(CC)CNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000665063446 413830010 /nfs/dbraw/zinc/83/00/10/413830010.db2.gz MWAGKXJYFSRZKR-GFCCVEGCSA-N 1 2 294.399 1.745 20 30 CDEDLO C=CC[N@@H+](CCS(=O)(=O)c1ccccc1)[C@@H](C)COC ZINC000661245141 413917096 /nfs/dbraw/zinc/91/70/96/413917096.db2.gz YSHGAZINQHTWRS-AWEZNQCLSA-N 1 2 297.420 1.983 20 30 CDEDLO C=CC[N@H+](CCS(=O)(=O)c1ccccc1)[C@@H](C)COC ZINC000661245141 413917105 /nfs/dbraw/zinc/91/71/05/413917105.db2.gz YSHGAZINQHTWRS-AWEZNQCLSA-N 1 2 297.420 1.983 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000662168482 414548508 /nfs/dbraw/zinc/54/85/08/414548508.db2.gz IFYFJBDSFHFHDN-MNOVXSKESA-N 1 2 299.168 1.112 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](O)C1 ZINC000039490793 174169252 /nfs/dbraw/zinc/16/92/52/174169252.db2.gz LICRZSWAYAFARZ-SNVBAGLBSA-N 1 2 265.338 1.015 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000039490793 174169253 /nfs/dbraw/zinc/16/92/53/174169253.db2.gz LICRZSWAYAFARZ-SNVBAGLBSA-N 1 2 265.338 1.015 20 30 CDEDLO COC(=O)C(C)(C)[NH2+]CCOc1cccc(C#N)c1 ZINC000076692446 177059483 /nfs/dbraw/zinc/05/94/83/177059483.db2.gz AKJJOEFUXHKYTO-UHFFFAOYSA-N 1 2 262.309 1.478 20 30 CDEDLO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ncccc1C#N ZINC000078543726 177352308 /nfs/dbraw/zinc/35/23/08/177352308.db2.gz GIJNYNVGTMJETC-LBPRGKRZSA-N 1 2 259.357 1.001 20 30 CDEDLO C#CCN1C(=O)c2ccccc2N[C@@H]1c1[nH]c[nH+]c1C ZINC000078756822 177382245 /nfs/dbraw/zinc/38/22/45/177382245.db2.gz PPVLSDGUENKOIG-AWEZNQCLSA-N 1 2 266.304 1.918 20 30 CDEDLO COCC[C@@](C)(C#N)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000344947014 225211803 /nfs/dbraw/zinc/21/18/03/225211803.db2.gz RRYQPLARIBYPAO-AWEZNQCLSA-N 1 2 272.308 1.383 20 30 CDEDLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000346972938 226001237 /nfs/dbraw/zinc/00/12/37/226001237.db2.gz NYRLZGWVHYUYIR-LBPRGKRZSA-N 1 2 272.352 1.637 20 30 CDEDLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000346972938 226001242 /nfs/dbraw/zinc/00/12/42/226001242.db2.gz NYRLZGWVHYUYIR-LBPRGKRZSA-N 1 2 272.352 1.637 20 30 CDEDLO C[C@H]1[N@H+](CC(=O)NC2(C#N)CCC2)CCOC1(C)C ZINC000347062417 226009765 /nfs/dbraw/zinc/00/97/65/226009765.db2.gz WAEBVORYXCEZLH-LLVKDONJSA-N 1 2 265.357 1.048 20 30 CDEDLO C[C@H]1[N@@H+](CC(=O)NC2(C#N)CCC2)CCOC1(C)C ZINC000347062417 226009770 /nfs/dbraw/zinc/00/97/70/226009770.db2.gz WAEBVORYXCEZLH-LLVKDONJSA-N 1 2 265.357 1.048 20 30 CDEDLO C[C@@H](CC#N)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000347253207 226080833 /nfs/dbraw/zinc/08/08/33/226080833.db2.gz GKGCKNWMOSXVOH-ZDUSSCGKSA-N 1 2 287.363 1.551 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCCOCC1 ZINC000329273869 227399094 /nfs/dbraw/zinc/39/90/94/227399094.db2.gz KFIYWAJDCZYQAL-UHFFFAOYSA-N 1 2 266.345 1.347 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCCOCC1 ZINC000329273869 227399098 /nfs/dbraw/zinc/39/90/98/227399098.db2.gz KFIYWAJDCZYQAL-UHFFFAOYSA-N 1 2 266.345 1.347 20 30 CDEDLO C[C@]1(CNC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCCS1 ZINC000330185360 228058948 /nfs/dbraw/zinc/05/89/48/228058948.db2.gz JCCSBTRQVIAHPG-BXUZGUMPSA-N 1 2 294.424 1.987 20 30 CDEDLO C[C@]1(C[NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CCCS1 ZINC000330185360 228058950 /nfs/dbraw/zinc/05/89/50/228058950.db2.gz JCCSBTRQVIAHPG-BXUZGUMPSA-N 1 2 294.424 1.987 20 30 CDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1CCCC[C@H]1O ZINC000330284526 228092445 /nfs/dbraw/zinc/09/24/45/228092445.db2.gz XPBNWCHSRUOCDD-QJPTWQEYSA-N 1 2 278.356 1.005 20 30 CDEDLO [O-]C(N[C@@H]1CCCC[C@H]1O)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330284526 228092447 /nfs/dbraw/zinc/09/24/47/228092447.db2.gz XPBNWCHSRUOCDD-QJPTWQEYSA-N 1 2 278.356 1.005 20 30 CDEDLO C[C@H](C(=O)NCC(F)(F)F)[N@@H+](C)C[C@H](C)C#N ZINC000332474915 260012011 /nfs/dbraw/zinc/01/20/11/260012011.db2.gz MQOWRSJDYDRBFM-HTQZYQBOSA-N 1 2 251.252 1.145 20 30 CDEDLO C[C@H](C(=O)NCC(F)(F)F)[N@H+](C)C[C@H](C)C#N ZINC000332474915 260012013 /nfs/dbraw/zinc/01/20/13/260012013.db2.gz MQOWRSJDYDRBFM-HTQZYQBOSA-N 1 2 251.252 1.145 20 30 CDEDLO C=CCC[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(=O)OCC ZINC000521897551 260224915 /nfs/dbraw/zinc/22/49/15/260224915.db2.gz FYSKDRHWWWWZIR-YPMHNXCESA-N 1 2 293.367 1.602 20 30 CDEDLO C=CCC[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(=O)OCC ZINC000521897551 260224916 /nfs/dbraw/zinc/22/49/16/260224916.db2.gz FYSKDRHWWWWZIR-YPMHNXCESA-N 1 2 293.367 1.602 20 30 CDEDLO C#C[C@@H](NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)C(C)C ZINC000374279921 260255495 /nfs/dbraw/zinc/25/54/95/260255495.db2.gz MIBPGONWELKDHB-UONOGXRCSA-N 1 2 288.395 1.967 20 30 CDEDLO C[C@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)C[C@@H](C2CC2)O1 ZINC000518187637 260353620 /nfs/dbraw/zinc/35/36/20/260353620.db2.gz DHYYNCQUXWLEAD-NHYWBVRUSA-N 1 2 297.362 1.600 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)C[C@@H](C2CC2)O1 ZINC000518187637 260353621 /nfs/dbraw/zinc/35/36/21/260353621.db2.gz DHYYNCQUXWLEAD-NHYWBVRUSA-N 1 2 297.362 1.600 20 30 CDEDLO CC[C@@H]1CN(C(=O)[C@]2(C#N)C[C@@H]2C)C[C@H]1[NH+]1CCOCC1 ZINC000449983810 261062527 /nfs/dbraw/zinc/06/25/27/261062527.db2.gz DIZTVPYNNNSBJV-NHIYQJMISA-N 1 2 291.395 1.105 20 30 CDEDLO N#CCSCC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152688369 261067940 /nfs/dbraw/zinc/06/79/40/261067940.db2.gz DDVDFQONJSXTDG-NSHDSACASA-N 1 2 276.365 1.033 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H]1CCC[C@H]1C1CC1)C(=O)OC ZINC000361111244 261163483 /nfs/dbraw/zinc/16/34/83/261163483.db2.gz RZJBGSNTUPQUMO-MJBXVCDLSA-N 1 2 267.369 1.899 20 30 CDEDLO C#CCn1ccc(CN(CC)CC[N@@H+]2CCOC[C@H]2C)n1 ZINC000490804569 261213272 /nfs/dbraw/zinc/21/32/72/261213272.db2.gz YCUDKLZXJCLYJD-OAHLLOKOSA-N 1 2 290.411 1.059 20 30 CDEDLO C#CCn1ccc(CN(CC)CC[N@H+]2CCOC[C@H]2C)n1 ZINC000490804569 261213274 /nfs/dbraw/zinc/21/32/74/261213274.db2.gz YCUDKLZXJCLYJD-OAHLLOKOSA-N 1 2 290.411 1.059 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)CCN2CCOC[C@H]2C)n1 ZINC000490804569 261213275 /nfs/dbraw/zinc/21/32/75/261213275.db2.gz YCUDKLZXJCLYJD-OAHLLOKOSA-N 1 2 290.411 1.059 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)CCN2CCOC[C@H]2C)n1 ZINC000490804569 261213277 /nfs/dbraw/zinc/21/32/77/261213277.db2.gz YCUDKLZXJCLYJD-OAHLLOKOSA-N 1 2 290.411 1.059 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCc2cc(OC)c(F)cc2C1 ZINC000490924168 261248887 /nfs/dbraw/zinc/24/88/87/261248887.db2.gz ODINPZIJAOVGHW-NSHDSACASA-N 1 2 290.338 1.330 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCc2cc(OC)c(F)cc2C1 ZINC000490924168 261248889 /nfs/dbraw/zinc/24/88/89/261248889.db2.gz ODINPZIJAOVGHW-NSHDSACASA-N 1 2 290.338 1.330 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000491277660 261398308 /nfs/dbraw/zinc/39/83/08/261398308.db2.gz PLDPWMBDOUNHFM-XQQFMLRXSA-N 1 2 264.369 1.313 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000491277660 261398311 /nfs/dbraw/zinc/39/83/11/261398311.db2.gz PLDPWMBDOUNHFM-XQQFMLRXSA-N 1 2 264.369 1.313 20 30 CDEDLO N#C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1CCCCC1 ZINC000189213639 262169288 /nfs/dbraw/zinc/16/92/88/262169288.db2.gz RSRYUFGNWHHDCN-CYBMUJFWSA-N 1 2 260.341 1.931 20 30 CDEDLO N#C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1CCCCC1 ZINC000189213639 262169289 /nfs/dbraw/zinc/16/92/89/262169289.db2.gz RSRYUFGNWHHDCN-CYBMUJFWSA-N 1 2 260.341 1.931 20 30 CDEDLO COc1cccc(C(N)=[NH+]OCC[C@H]2CCCO2)c1 ZINC000189304978 262170404 /nfs/dbraw/zinc/17/04/04/262170404.db2.gz UUXJNNFXFFTYQM-GFCCVEGCSA-N 1 2 264.325 1.901 20 30 CDEDLO Cc1ncc(CO)c(/C=[NH+]/C[C@@H]2CCO[C@@H](C)C2)c1O ZINC000271447462 262996718 /nfs/dbraw/zinc/99/67/18/262996718.db2.gz UDVUZXOUXHKKIK-FFHTUOKVSA-N 1 2 278.352 1.822 20 30 CDEDLO Cc1ncc(CO)c(/C=[NH+]/C[C@@H]2CCSC2)c1O ZINC000280344323 263060725 /nfs/dbraw/zinc/06/07/25/263060725.db2.gz ALSQBPBFARFCIP-XPWNQWCVSA-N 1 2 266.366 1.760 20 30 CDEDLO N#CCc1ccc(C(=O)NCCn2cc[nH+]c2)cc1 ZINC000340070898 263066448 /nfs/dbraw/zinc/06/64/48/263066448.db2.gz NGTKEJPTHXJGMA-UHFFFAOYSA-N 1 2 254.293 1.379 20 30 CDEDLO NC(=[NH+]OCc1cn2cc(Cl)ccc2n1)[C@@H]1CCCO1 ZINC000283916697 263084798 /nfs/dbraw/zinc/08/47/98/263084798.db2.gz DRQLFVXWUSZFDP-NSHDSACASA-N 1 2 294.742 1.956 20 30 CDEDLO CO[C@@H](CO[NH+]=C(N)[C@H]1CCCO1)c1ccccc1 ZINC000283939666 263085151 /nfs/dbraw/zinc/08/51/51/263085151.db2.gz FKRBUFTZDQKRMB-OLZOCXBDSA-N 1 2 264.325 1.842 20 30 CDEDLO CCOc1ccccc1OCCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284104947 263085818 /nfs/dbraw/zinc/08/58/18/263085818.db2.gz LJGBJCAQFBMTEX-AWEZNQCLSA-N 1 2 294.351 1.932 20 30 CDEDLO COc1ccc(NC(=O)CO[NH+]=C(N)[C@@H]2CCCO2)cc1 ZINC000284370950 263086655 /nfs/dbraw/zinc/08/66/55/263086655.db2.gz LMCPGVWMAUBRBE-LBPRGKRZSA-N 1 2 293.323 1.102 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000340201842 263091359 /nfs/dbraw/zinc/09/13/59/263091359.db2.gz PFMOBMADKWFBHI-ONGXEEELSA-N 1 2 280.290 1.066 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000340201842 263091360 /nfs/dbraw/zinc/09/13/60/263091360.db2.gz PFMOBMADKWFBHI-ONGXEEELSA-N 1 2 280.290 1.066 20 30 CDEDLO C[N@H+](CC#Cc1cccc(Cl)c1)[C@@H]1CCNC1=O ZINC000340222964 263097428 /nfs/dbraw/zinc/09/74/28/263097428.db2.gz QCYOZIKTQZJOHI-CYBMUJFWSA-N 1 2 262.740 1.512 20 30 CDEDLO C[N@@H+](CC#Cc1cccc(Cl)c1)[C@@H]1CCNC1=O ZINC000340222964 263097429 /nfs/dbraw/zinc/09/74/29/263097429.db2.gz QCYOZIKTQZJOHI-CYBMUJFWSA-N 1 2 262.740 1.512 20 30 CDEDLO O=S1(=O)CCC[C@H](C/[NH+]=C/c2ccccc2O)C1 ZINC000287301939 263101619 /nfs/dbraw/zinc/10/16/19/263101619.db2.gz SYPOUZHLCGEIHP-ZECSTPGPSA-N 1 2 267.350 1.636 20 30 CDEDLO COc1ccncc1CO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000288403479 263104182 /nfs/dbraw/zinc/10/41/82/263104182.db2.gz BOIRQIZRZZAXJE-LLVKDONJSA-N 1 2 281.356 1.940 20 30 CDEDLO CCc1nocc1C[N@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000293516380 263142407 /nfs/dbraw/zinc/14/24/07/263142407.db2.gz VOHMVSRRKHMJMD-LLVKDONJSA-N 1 2 278.356 1.429 20 30 CDEDLO CCc1nocc1C[N@@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000293516380 263142409 /nfs/dbraw/zinc/14/24/09/263142409.db2.gz VOHMVSRRKHMJMD-LLVKDONJSA-N 1 2 278.356 1.429 20 30 CDEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H](C(N)=O)O1 ZINC000122347344 263300529 /nfs/dbraw/zinc/30/05/29/263300529.db2.gz GHDALTPLGYNJHI-RISCZKNCSA-N 1 2 292.766 1.266 20 30 CDEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H](C(N)=O)O1 ZINC000122347344 263300530 /nfs/dbraw/zinc/30/05/30/263300530.db2.gz GHDALTPLGYNJHI-RISCZKNCSA-N 1 2 292.766 1.266 20 30 CDEDLO CCCn1c(C)nnc1C[NH+]1CCC(C#N)(COC)CC1 ZINC000341996115 263373689 /nfs/dbraw/zinc/37/36/89/263373689.db2.gz SBJCJIFRSMTSPD-UHFFFAOYSA-N 1 2 291.399 1.749 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000342190874 263397671 /nfs/dbraw/zinc/39/76/71/263397671.db2.gz DEHUBWDUSDKZHR-ZDUSSCGKSA-N 1 2 285.347 1.787 20 30 CDEDLO C[C@H](C#N)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000330700885 264016673 /nfs/dbraw/zinc/01/66/73/264016673.db2.gz GSCIWDUBAWMFLM-GFCCVEGCSA-N 1 2 273.336 1.735 20 30 CDEDLO C[C@H](C[S@](C)=O)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000125906988 264069432 /nfs/dbraw/zinc/06/94/32/264069432.db2.gz HUNFEJFTQHMBHF-KZULUSFZSA-N 1 2 267.369 1.876 20 30 CDEDLO C[C@H](C[S@](C)=O)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000125906988 264069434 /nfs/dbraw/zinc/06/94/34/264069434.db2.gz HUNFEJFTQHMBHF-KZULUSFZSA-N 1 2 267.369 1.876 20 30 CDEDLO C#CCNC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000081531225 264426604 /nfs/dbraw/zinc/42/66/04/264426604.db2.gz VEOSLGNRHALPMZ-UHFFFAOYSA-N 1 2 296.374 1.948 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000289038486 264699749 /nfs/dbraw/zinc/69/97/49/264699749.db2.gz BIUYAMUVQAEBIZ-UHFFFAOYSA-N 1 2 257.337 1.473 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000289038486 264699753 /nfs/dbraw/zinc/69/97/53/264699753.db2.gz BIUYAMUVQAEBIZ-UHFFFAOYSA-N 1 2 257.337 1.473 20 30 CDEDLO C=CC[N@H+](Cc1nnc(C(C)C)[nH]1)[C@@H](C)COC ZINC000661240052 424071561 /nfs/dbraw/zinc/07/15/61/424071561.db2.gz KXVXQKUVBQLEGT-NSHDSACASA-N 1 2 252.362 1.951 20 30 CDEDLO C=CC[N@@H+](Cc1nnc(C(C)C)[nH]1)[C@@H](C)COC ZINC000661240052 424071577 /nfs/dbraw/zinc/07/15/77/424071577.db2.gz KXVXQKUVBQLEGT-NSHDSACASA-N 1 2 252.362 1.951 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000652676677 424633306 /nfs/dbraw/zinc/63/33/06/424633306.db2.gz FRWUECCHPGPPLD-FRRDWIJNSA-N 1 2 290.367 1.514 20 30 CDEDLO NS(=O)(=O)[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000357393825 266289202 /nfs/dbraw/zinc/28/92/02/266289202.db2.gz XTZULPHMNZMJBB-CYBMUJFWSA-N 1 2 298.795 1.054 20 30 CDEDLO NS(=O)(=O)[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000357393825 266289205 /nfs/dbraw/zinc/28/92/05/266289205.db2.gz XTZULPHMNZMJBB-CYBMUJFWSA-N 1 2 298.795 1.054 20 30 CDEDLO N#C[C@@H]1[N@H+](C[C@H]2CCOC2)CCC[C@@]12CCCCO2 ZINC000369391146 267238817 /nfs/dbraw/zinc/23/88/17/267238817.db2.gz JGBURUKEWWKDGP-ILXRZTDVSA-N 1 2 264.369 1.950 20 30 CDEDLO N#C[C@@H]1[N@@H+](C[C@H]2CCOC2)CCC[C@@]12CCCCO2 ZINC000369391146 267238819 /nfs/dbraw/zinc/23/88/19/267238819.db2.gz JGBURUKEWWKDGP-ILXRZTDVSA-N 1 2 264.369 1.950 20 30 CDEDLO Cc1cc(NCCNC(=O)OC(C)(C)C)c(C#N)c[nH+]1 ZINC000399537817 267300534 /nfs/dbraw/zinc/30/05/34/267300534.db2.gz VIHGBNLTMZOZIN-UHFFFAOYSA-N 1 2 276.340 1.620 20 30 CDEDLO C=CCOCCCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376184742 267948673 /nfs/dbraw/zinc/94/86/73/267948673.db2.gz CEBMZEIQIUVOCN-HUUCEWRRSA-N 1 2 296.411 1.291 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000070693956 276351963 /nfs/dbraw/zinc/35/19/63/276351963.db2.gz WGINRTAZISCUJF-ILXRZTDVSA-N 1 2 293.411 1.638 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000070693956 276351964 /nfs/dbraw/zinc/35/19/64/276351964.db2.gz WGINRTAZISCUJF-ILXRZTDVSA-N 1 2 293.411 1.638 20 30 CDEDLO C[C@H]1C[C@H](NC(=O)c2ccc(C#N)c(O)c2)c2[nH+]ccn21 ZINC000456415210 278496373 /nfs/dbraw/zinc/49/63/73/278496373.db2.gz JETJTFBJFFHUAY-CABZTGNLSA-N 1 2 282.303 1.896 20 30 CDEDLO CCC[N@H+](CCOc1ccc(C#N)cc1)CC(=O)OC ZINC000048400867 279157930 /nfs/dbraw/zinc/15/79/30/279157930.db2.gz ZPOKEJCYBVQNNF-UHFFFAOYSA-N 1 2 276.336 1.822 20 30 CDEDLO CCC[N@@H+](CCOc1ccc(C#N)cc1)CC(=O)OC ZINC000048400867 279157933 /nfs/dbraw/zinc/15/79/33/279157933.db2.gz ZPOKEJCYBVQNNF-UHFFFAOYSA-N 1 2 276.336 1.822 20 30 CDEDLO Cc1c[nH]c(C(C)(C)NC(=O)c2cc(C)c(C#N)cn2)[nH+]1 ZINC000563285840 293335239 /nfs/dbraw/zinc/33/52/39/293335239.db2.gz YEYNDOQUGJIZEB-UHFFFAOYSA-N 1 2 283.335 1.958 20 30 CDEDLO Cc1nnc([C@@H]2C[N@H+]([C@H]3CC[C@H](C#N)C3)CCO2)[nH]1 ZINC000330236600 293374627 /nfs/dbraw/zinc/37/46/27/293374627.db2.gz HHWKAQJDQWMRFA-SRVKXCTJSA-N 1 2 261.329 1.179 20 30 CDEDLO Cc1nnc([C@@H]2C[N@@H+]([C@H]3CC[C@H](C#N)C3)CCO2)[nH]1 ZINC000330236600 293374623 /nfs/dbraw/zinc/37/46/23/293374623.db2.gz HHWKAQJDQWMRFA-SRVKXCTJSA-N 1 2 261.329 1.179 20 30 CDEDLO C[C@H]1CCN(c2ncncc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000574562778 295018107 /nfs/dbraw/zinc/01/81/07/295018107.db2.gz XYGABGTWQGTMQY-WCQYABFASA-N 1 2 268.324 1.632 20 30 CDEDLO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ncc2c(c1C#N)CCC2 ZINC000575797374 317015191 /nfs/dbraw/zinc/01/51/91/317015191.db2.gz JVYSKEMICKDKCQ-ZDUSSCGKSA-N 1 2 299.422 1.490 20 30 CDEDLO N#CCC1(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000571448966 328122693 /nfs/dbraw/zinc/12/26/93/328122693.db2.gz DUDXUSKTMBJGDG-NSHDSACASA-N 1 2 258.325 1.256 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)Cc1cnc(N2CCOCC2)s1 ZINC000271137022 328194924 /nfs/dbraw/zinc/19/49/24/328194924.db2.gz SFNHJJJYUXPHEZ-LLVKDONJSA-N 1 2 280.397 1.571 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)Cc1cnc(N2CCOCC2)s1 ZINC000271137022 328194925 /nfs/dbraw/zinc/19/49/25/328194925.db2.gz SFNHJJJYUXPHEZ-LLVKDONJSA-N 1 2 280.397 1.571 20 30 CDEDLO N#CCCCC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000291835765 328266667 /nfs/dbraw/zinc/26/66/67/328266667.db2.gz FCKJVBBRJXOSKD-LBPRGKRZSA-N 1 2 258.325 1.470 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000298337916 328295882 /nfs/dbraw/zinc/29/58/82/328295882.db2.gz AFOKNVVJYPFZPZ-AWEZNQCLSA-N 1 2 271.364 1.286 20 30 CDEDLO C=CC[C@@H](C)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000121010034 328364984 /nfs/dbraw/zinc/36/49/84/328364984.db2.gz IAYXVPZENAQKAX-CHWSQXEVSA-N 1 2 274.368 1.924 20 30 CDEDLO COC(=O)N1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC000387317866 323765042 /nfs/dbraw/zinc/76/50/42/323765042.db2.gz MJHIFHUEXIXHPU-UHFFFAOYSA-N 1 2 289.335 1.451 20 30 CDEDLO N#Cc1cncc(NCc2[nH+]ccn2CC(F)(F)F)n1 ZINC000578743583 324010463 /nfs/dbraw/zinc/01/04/63/324010463.db2.gz JVZNTZATYGXDNW-UHFFFAOYSA-N 1 2 282.229 1.719 20 30 CDEDLO C[C@]1(NC(=O)NCc2cn3c([nH+]2)CCCC3)CCOC1 ZINC000328873153 328459087 /nfs/dbraw/zinc/45/90/87/328459087.db2.gz QZCAAUOPNBJKIY-AWEZNQCLSA-N 1 2 278.356 1.402 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)nc1 ZINC000580089738 324367375 /nfs/dbraw/zinc/36/73/75/324367375.db2.gz ZNOCCNJYCLANSL-LLVKDONJSA-N 1 2 285.307 1.421 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)nc1 ZINC000580089738 324367378 /nfs/dbraw/zinc/36/73/78/324367378.db2.gz ZNOCCNJYCLANSL-LLVKDONJSA-N 1 2 285.307 1.421 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)nc1 ZINC000580089738 324367383 /nfs/dbraw/zinc/36/73/83/324367383.db2.gz ZNOCCNJYCLANSL-LLVKDONJSA-N 1 2 285.307 1.421 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)nc1 ZINC000580089738 324367385 /nfs/dbraw/zinc/36/73/85/324367385.db2.gz ZNOCCNJYCLANSL-LLVKDONJSA-N 1 2 285.307 1.421 20 30 CDEDLO N#Cc1cncc(NCc2ccc(N3CCOCC3)[nH+]c2)n1 ZINC000583868769 325256359 /nfs/dbraw/zinc/25/63/59/325256359.db2.gz KHRSZRBPCGUUKA-UHFFFAOYSA-N 1 2 296.334 1.192 20 30 CDEDLO Cc1cnc([C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C#CC2CC2)o1 ZINC001754310534 1159104278 /nfs/dbraw/zinc/10/42/78/1159104278.db2.gz IUYAFMNAHSTQSJ-YPMHNXCESA-N 1 2 289.379 1.894 20 30 CDEDLO Cc1cnc([C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C#CC2CC2)o1 ZINC001754310534 1159104283 /nfs/dbraw/zinc/10/42/83/1159104283.db2.gz IUYAFMNAHSTQSJ-YPMHNXCESA-N 1 2 289.379 1.894 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)N3CCOC[C@H]3C#N)cc2n1C ZINC000526999143 328820324 /nfs/dbraw/zinc/82/03/24/328820324.db2.gz UNHONLTYJLCUKY-GFCCVEGCSA-N 1 2 284.319 1.246 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000582528564 329107434 /nfs/dbraw/zinc/10/74/34/329107434.db2.gz MYPHICPXZDLDAH-HIFRSBDPSA-N 1 2 285.347 1.955 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cncc(Br)c1 ZINC000174047437 329156815 /nfs/dbraw/zinc/15/68/15/329156815.db2.gz FYELOSGIELKMKZ-UHFFFAOYSA-N 1 2 263.138 1.913 20 30 CDEDLO C#CCCCNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000177840882 329193159 /nfs/dbraw/zinc/19/31/59/329193159.db2.gz OHIMFCCGVRPZHX-ZIAGYGMSSA-N 1 2 274.368 1.889 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1cccc(Cl)c1 ZINC000583179324 329341860 /nfs/dbraw/zinc/34/18/60/329341860.db2.gz MLCUUCPFCYZZRQ-CQSZACIVSA-N 1 2 295.770 1.679 20 30 CDEDLO C[C@H]1C(=O)NCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000189345685 329380140 /nfs/dbraw/zinc/38/01/40/329380140.db2.gz OZCDOBAJBHJVQV-LBPRGKRZSA-N 1 2 276.767 1.902 20 30 CDEDLO C[C@H]1C(=O)NCCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000189345685 329380141 /nfs/dbraw/zinc/38/01/41/329380141.db2.gz OZCDOBAJBHJVQV-LBPRGKRZSA-N 1 2 276.767 1.902 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccncc2)CCC1 ZINC000527128033 330225168 /nfs/dbraw/zinc/22/51/68/330225168.db2.gz ZHZQSXSCLNWAHV-CQSZACIVSA-N 1 2 284.363 1.781 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2c2ccncc2)CCC1 ZINC000527128033 330225169 /nfs/dbraw/zinc/22/51/69/330225169.db2.gz ZHZQSXSCLNWAHV-CQSZACIVSA-N 1 2 284.363 1.781 20 30 CDEDLO CC(C)OCC[NH+]1CCN(C(=O)[C@@]2(C#N)C[C@H]2C)CC1 ZINC000450014098 330958648 /nfs/dbraw/zinc/95/86/48/330958648.db2.gz AGGGPIQXLAMJKU-UKRRQHHQSA-N 1 2 279.384 1.105 20 30 CDEDLO Cc1cc[nH+]cc1N1CCN(C(=O)[C@]2(C#N)C[C@@H]2C)CC1 ZINC000451423427 331028890 /nfs/dbraw/zinc/02/88/90/331028890.db2.gz CREVHYXZLRGZOT-BBRMVZONSA-N 1 2 284.363 1.588 20 30 CDEDLO C[C@@H](C(=O)NCC(F)(F)F)[NH+]1CCC(C#N)CC1 ZINC000195335145 331170081 /nfs/dbraw/zinc/17/00/81/331170081.db2.gz RXXCXANOIVXNLM-QMMMGPOBSA-N 1 2 263.263 1.289 20 30 CDEDLO CC[C@H](C(=O)NCC(C)(C)CC#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000458013673 331240834 /nfs/dbraw/zinc/24/08/34/331240834.db2.gz BNWMZKLTJODVPZ-ZIAGYGMSSA-N 1 2 295.427 1.932 20 30 CDEDLO CC[C@H](C(=O)NCC(C)(C)CC#N)[N@H+]1CCO[C@H](CC)C1 ZINC000458013673 331240835 /nfs/dbraw/zinc/24/08/35/331240835.db2.gz BNWMZKLTJODVPZ-ZIAGYGMSSA-N 1 2 295.427 1.932 20 30 CDEDLO C=C(C)CCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000458990151 331264516 /nfs/dbraw/zinc/26/45/16/331264516.db2.gz BIESYPWQWNKERQ-AWEZNQCLSA-N 1 2 281.400 1.459 20 30 CDEDLO C=CCn1cccc1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000488879083 332031570 /nfs/dbraw/zinc/03/15/70/332031570.db2.gz RKMUVCHDMHLYRK-ZIAGYGMSSA-N 1 2 291.395 1.513 20 30 CDEDLO C=CCn1cccc1C(=O)N1CC[NH+](CCOC)CC1 ZINC000490032412 332077503 /nfs/dbraw/zinc/07/75/03/332077503.db2.gz NQPVURFFSSFOFF-UHFFFAOYSA-N 1 2 277.368 1.078 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1cccc(OC)c1)C1CC1 ZINC000491230550 332170756 /nfs/dbraw/zinc/17/07/56/332170756.db2.gz NJLPGHZKXMYJBZ-UHFFFAOYSA-N 1 2 258.321 1.731 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1cccc(OC)c1)C1CC1 ZINC000491230550 332170758 /nfs/dbraw/zinc/17/07/58/332170758.db2.gz NJLPGHZKXMYJBZ-UHFFFAOYSA-N 1 2 258.321 1.731 20 30 CDEDLO C#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)C(C)(C)C ZINC000491536679 332231993 /nfs/dbraw/zinc/23/19/93/332231993.db2.gz LRNZGSMUYCSNSG-GFCCVEGCSA-N 1 2 283.335 1.440 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000491617908 332244590 /nfs/dbraw/zinc/24/45/90/332244590.db2.gz CCQXZRBZGGBIBR-LLVKDONJSA-N 1 2 254.293 1.361 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000491636405 332257245 /nfs/dbraw/zinc/25/72/45/332257245.db2.gz WEQMXFWQJKBEMT-SSDOTTSWSA-N 1 2 287.117 1.465 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000491636405 332257246 /nfs/dbraw/zinc/25/72/46/332257246.db2.gz WEQMXFWQJKBEMT-SSDOTTSWSA-N 1 2 287.117 1.465 20 30 CDEDLO C#CC[N@@H+](CCCCC(C)(C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000491641857 332261338 /nfs/dbraw/zinc/26/13/38/332261338.db2.gz UFMCGVHHVHBRCD-AWEZNQCLSA-N 1 2 296.436 1.829 20 30 CDEDLO C#CC[N@H+](CCCCC(C)(C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000491641857 332261340 /nfs/dbraw/zinc/26/13/40/332261340.db2.gz UFMCGVHHVHBRCD-AWEZNQCLSA-N 1 2 296.436 1.829 20 30 CDEDLO C#CCN(C(=O)NCc1[nH+]ccn1CC(C)C)C1CC1 ZINC000491693935 332290076 /nfs/dbraw/zinc/29/00/76/332290076.db2.gz UZCBNOPDJIISRL-UHFFFAOYSA-N 1 2 274.368 1.846 20 30 CDEDLO C#C[C@H](CC)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000491706836 332299674 /nfs/dbraw/zinc/29/96/74/332299674.db2.gz KTBBYAQISAXECF-GFCCVEGCSA-N 1 2 260.341 1.359 20 30 CDEDLO C#CC[C@@H](CC(F)(F)F)NC(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493231487 332431737 /nfs/dbraw/zinc/43/17/37/332431737.db2.gz WAPMBMBFFVDFSB-WBSSQXGSSA-N 1 2 271.242 1.883 20 30 CDEDLO Cc1cccn2cc(CC(=O)N(C)C[C@@H](C)C#N)[nH+]c12 ZINC000524202794 333356231 /nfs/dbraw/zinc/35/62/31/333356231.db2.gz JPSJCODVIZHXMG-NSHDSACASA-N 1 2 270.336 1.803 20 30 CDEDLO C=CCN(CCOC)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000565191520 334069498 /nfs/dbraw/zinc/06/94/98/334069498.db2.gz QINFVDAYKWLYHC-UHFFFAOYSA-N 1 2 273.336 1.917 20 30 CDEDLO CC1CC(C#N)(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000548310745 334150252 /nfs/dbraw/zinc/15/02/52/334150252.db2.gz GVNPZKYNYKHCPL-IQLKVPPVSA-N 1 2 258.325 1.254 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2c(s1)CCC2 ZINC000565483815 334567839 /nfs/dbraw/zinc/56/78/39/334567839.db2.gz CLKGJDSERKFSFG-AWEZNQCLSA-N 1 2 277.393 1.810 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC#N)CCC#N ZINC000577290529 335336001 /nfs/dbraw/zinc/33/60/01/335336001.db2.gz PRGZZNVRBUTDTK-LLVKDONJSA-N 1 2 259.313 1.244 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC#N)CCC#N ZINC000577290529 335336003 /nfs/dbraw/zinc/33/60/03/335336003.db2.gz PRGZZNVRBUTDTK-LLVKDONJSA-N 1 2 259.313 1.244 20 30 CDEDLO C[C@H](C#N)CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000182802180 335843942 /nfs/dbraw/zinc/84/39/42/335843942.db2.gz RUAQBJNEKLYDGW-GFCCVEGCSA-N 1 2 273.340 1.073 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnc(C)[nH]2)[C@H]1C ZINC001088495200 1160459472 /nfs/dbraw/zinc/45/94/72/1160459472.db2.gz GKXCOGAWDZXVND-KOLCDFICSA-N 1 2 282.775 1.663 20 30 CDEDLO CC#CCCNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000681544626 482900231 /nfs/dbraw/zinc/90/02/31/482900231.db2.gz ZGXJYVBIBTYFOI-UHFFFAOYSA-N 1 2 286.379 1.322 20 30 CDEDLO COCC#CC[NH2+][C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000678797866 483172915 /nfs/dbraw/zinc/17/29/15/483172915.db2.gz UBWIJUVOWUCEGF-AWEZNQCLSA-N 1 2 281.377 1.012 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CCCF)CC2)C1 ZINC001105721139 1160970792 /nfs/dbraw/zinc/97/07/92/1160970792.db2.gz QXZUIWGCSMHBDC-UHFFFAOYSA-N 1 2 284.375 1.614 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001128242464 1161461338 /nfs/dbraw/zinc/46/13/38/1161461338.db2.gz PSXHXKKBAJYYLQ-UHFFFAOYSA-N 1 2 265.357 1.791 20 30 CDEDLO C#CCC(C)(C)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000184934067 518240248 /nfs/dbraw/zinc/24/02/48/518240248.db2.gz YLUCEPYFOJDWBJ-UHFFFAOYSA-N 1 2 285.391 1.775 20 30 CDEDLO C=C(Br)CNc1[nH+]cnc2c1cnn2C ZINC000049281959 518585763 /nfs/dbraw/zinc/58/57/63/518585763.db2.gz SSAYPYCGIUBYLS-UHFFFAOYSA-N 1 2 268.118 1.684 20 30 CDEDLO N#CC1(F)CC[NH+](CC(=O)NC(C2CC2)C2CC2)CC1 ZINC000352468268 534566827 /nfs/dbraw/zinc/56/68/27/534566827.db2.gz QCNBQXODDPSNRJ-UHFFFAOYSA-N 1 2 279.359 1.619 20 30 CDEDLO C=CCCC(=O)NC[C@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113562098 1162222033 /nfs/dbraw/zinc/22/20/33/1162222033.db2.gz BURWZACYZHXQFX-NSHDSACASA-N 1 2 262.357 1.692 20 30 CDEDLO COCCc1noc(C[NH2+][C@H](C)c2ccc(C#N)cc2)n1 ZINC000338395170 522044350 /nfs/dbraw/zinc/04/43/50/522044350.db2.gz YMEUQWZFZJFPAC-LLVKDONJSA-N 1 2 286.335 1.981 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)cc1C#N ZINC000338589209 524039047 /nfs/dbraw/zinc/03/90/47/524039047.db2.gz RLCREKICTFWZJD-CQSZACIVSA-N 1 2 264.300 1.473 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@](F)(CO)C2)cc1C#N ZINC000338589209 524039048 /nfs/dbraw/zinc/03/90/48/524039048.db2.gz RLCREKICTFWZJD-CQSZACIVSA-N 1 2 264.300 1.473 20 30 CDEDLO C[C@H](O)C[N@@H+]1CCN(C(=O)c2sccc2C#N)C[C@@H]1C ZINC000246769523 525764549 /nfs/dbraw/zinc/76/45/49/525764549.db2.gz PHOVADBIQCEECE-QWRGUYRKSA-N 1 2 293.392 1.147 20 30 CDEDLO C[C@H](O)C[N@H+]1CCN(C(=O)c2sccc2C#N)C[C@@H]1C ZINC000246769523 525764557 /nfs/dbraw/zinc/76/45/57/525764557.db2.gz PHOVADBIQCEECE-QWRGUYRKSA-N 1 2 293.392 1.147 20 30 CDEDLO C=CCOCCCC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000347656885 526738357 /nfs/dbraw/zinc/73/83/57/526738357.db2.gz OORCUGSTPLRCOR-CQSZACIVSA-N 1 2 284.400 1.196 20 30 CDEDLO C=CCOCCCC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000347656885 526738360 /nfs/dbraw/zinc/73/83/60/526738360.db2.gz OORCUGSTPLRCOR-CQSZACIVSA-N 1 2 284.400 1.196 20 30 CDEDLO C=C(CN1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O)c1ccccc1 ZINC000352692622 526863199 /nfs/dbraw/zinc/86/31/99/526863199.db2.gz HHVPCCLIXYLVMJ-CQSZACIVSA-N 1 2 296.330 1.586 20 30 CDEDLO C=C(CN1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O)c1ccccc1 ZINC000352692622 526863205 /nfs/dbraw/zinc/86/32/05/526863205.db2.gz HHVPCCLIXYLVMJ-CQSZACIVSA-N 1 2 296.330 1.586 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347360481 527933625 /nfs/dbraw/zinc/93/36/25/527933625.db2.gz IEVSMKKANSUNID-SNPRPXQTSA-N 1 2 299.390 1.226 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347360481 527933633 /nfs/dbraw/zinc/93/36/33/527933633.db2.gz IEVSMKKANSUNID-SNPRPXQTSA-N 1 2 299.390 1.226 20 30 CDEDLO CC1(C)C[N@H+](CCNC(=O)N[C@@]2(C)CCCOC2)CCO1 ZINC000329103030 529115945 /nfs/dbraw/zinc/11/59/45/529115945.db2.gz BYTOAHXLONCYEY-HNNXBMFYSA-N 1 2 299.415 1.170 20 30 CDEDLO CC1(C)C[N@@H+](CCNC(=O)N[C@@]2(C)CCCOC2)CCO1 ZINC000329103030 529115948 /nfs/dbraw/zinc/11/59/48/529115948.db2.gz BYTOAHXLONCYEY-HNNXBMFYSA-N 1 2 299.415 1.170 20 30 CDEDLO C[C@H](CNC(=O)[C@@H]1CCc2cccnc21)[NH+]1CCOCC1 ZINC000329296917 538556666 /nfs/dbraw/zinc/55/66/66/538556666.db2.gz OYBRJVMUQWODPG-TZMCWYRMSA-N 1 2 289.379 1.789 20 30 CDEDLO Cc1noc(C)c1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000329550847 538581287 /nfs/dbraw/zinc/58/12/87/538581287.db2.gz AIBVGNMTDMTJAB-LBPRGKRZSA-N 1 2 294.355 1.243 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745082744 574453603 /nfs/dbraw/zinc/45/36/03/574453603.db2.gz QVTRBNIBLOIKIC-UONOGXRCSA-N 1 2 296.411 1.827 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@H+]1C ZINC000745082744 574453604 /nfs/dbraw/zinc/45/36/04/574453604.db2.gz QVTRBNIBLOIKIC-UONOGXRCSA-N 1 2 296.411 1.827 20 30 CDEDLO CCN(CC)C(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000727488765 574585764 /nfs/dbraw/zinc/58/57/64/574585764.db2.gz YPQOWUCITUVLRB-UHFFFAOYSA-N 1 2 267.304 1.331 20 30 CDEDLO C=CCOCC(=O)NCc1ccc[nH+]c1N1CCCCC1 ZINC000729345186 574752182 /nfs/dbraw/zinc/75/21/82/574752182.db2.gz LRCLODSTKAGDCS-UHFFFAOYSA-N 1 2 289.379 1.891 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)/C=C/c1ccccc1C#N ZINC000729385643 574757086 /nfs/dbraw/zinc/75/70/86/574757086.db2.gz WSJLYCMKVPXSGV-UZYOAWRESA-N 1 2 299.374 1.408 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)/C=C/c1ccccc1C#N ZINC000729385643 574757089 /nfs/dbraw/zinc/75/70/89/574757089.db2.gz WSJLYCMKVPXSGV-UZYOAWRESA-N 1 2 299.374 1.408 20 30 CDEDLO CN(C)C(=S)NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000731561276 575055142 /nfs/dbraw/zinc/05/51/42/575055142.db2.gz XHADUCCVQOTIBD-UHFFFAOYSA-N 1 2 273.365 1.642 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C/c1ccccc1C#N ZINC000732095079 575079563 /nfs/dbraw/zinc/07/95/63/575079563.db2.gz UHTBWLDYOPVJEG-VOTSOKGWSA-N 1 2 266.304 1.953 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000734840210 575390519 /nfs/dbraw/zinc/39/05/19/575390519.db2.gz ZGPGARQIODHVJQ-HNNXBMFYSA-N 1 2 288.416 1.834 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000734840210 575390523 /nfs/dbraw/zinc/39/05/23/575390523.db2.gz ZGPGARQIODHVJQ-HNNXBMFYSA-N 1 2 288.416 1.834 20 30 CDEDLO O=C1c2ccccc2C(=O)N1N=Cc1cccc2[nH+]ccn21 ZINC000771099417 575548597 /nfs/dbraw/zinc/54/85/97/575548597.db2.gz RHZRNGUYCNABOL-UHFFFAOYSA-N 1 2 290.282 1.964 20 30 CDEDLO C#C[C@H](NC(=O)NCc1cn2ccccc2[nH+]1)[C@@H]1CCCO1 ZINC000773547566 575823266 /nfs/dbraw/zinc/82/32/66/575823266.db2.gz IWVJREKIQPYPBQ-KBPBESRZSA-N 1 2 298.346 1.314 20 30 CDEDLO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000766100097 576077963 /nfs/dbraw/zinc/07/79/63/576077963.db2.gz ZOYVIMYMVFZCRW-WFASDCNBSA-N 1 2 276.336 1.171 20 30 CDEDLO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000766100097 576077966 /nfs/dbraw/zinc/07/79/66/576077966.db2.gz ZOYVIMYMVFZCRW-WFASDCNBSA-N 1 2 276.336 1.171 20 30 CDEDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000766100094 576077976 /nfs/dbraw/zinc/07/79/76/576077976.db2.gz ZOYVIMYMVFZCRW-DOMZBBRYSA-N 1 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WYKWZGNXCPIBTQ-UHFFFAOYSA-N 1 2 272.312 1.631 20 30 CDEDLO COCC#CCOC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000762836002 576680376 /nfs/dbraw/zinc/68/03/76/576680376.db2.gz YVSBOULCRAXAQO-ZNMIVQPWSA-N 1 2 297.395 1.313 20 30 CDEDLO COCC#CCOC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000762836002 576680379 /nfs/dbraw/zinc/68/03/79/576680379.db2.gz YVSBOULCRAXAQO-ZNMIVQPWSA-N 1 2 297.395 1.313 20 30 CDEDLO CN(C)c1ccc(CNS(=O)(=O)CC(C)(C)C#N)c[nH+]1 ZINC000763215225 576722690 /nfs/dbraw/zinc/72/26/90/576722690.db2.gz OYJWSFCVFZSORD-UHFFFAOYSA-N 1 2 296.396 1.117 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000763443919 576737318 /nfs/dbraw/zinc/73/73/18/576737318.db2.gz GGQBXTHVVXIDAI-UHFFFAOYSA-N 1 2 264.369 1.161 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000763443919 576737321 /nfs/dbraw/zinc/73/73/21/576737321.db2.gz GGQBXTHVVXIDAI-UHFFFAOYSA-N 1 2 264.369 1.161 20 30 CDEDLO C#CCCCNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000745902341 576747538 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O=C1[C@H]([NH2+]Cc2ccc(Cl)cn2)CCCN1O ZINC000895158134 619373908 /nfs/dbraw/zinc/37/39/08/619373908.db2.gz XBIJAERAQIFGQJ-SNVBAGLBSA-N 1 2 255.705 1.205 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000896049430 619958453 /nfs/dbraw/zinc/95/84/53/619958453.db2.gz LMBHGGIWRXGECX-UHFFFAOYSA-N 1 2 286.375 1.509 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1 ZINC000896049430 619958456 /nfs/dbraw/zinc/95/84/56/619958456.db2.gz LMBHGGIWRXGECX-UHFFFAOYSA-N 1 2 286.375 1.509 20 30 CDEDLO C=C1CCC(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000896528196 620123809 /nfs/dbraw/zinc/12/38/09/620123809.db2.gz HHZUGKKHMXJRHG-HIFRSBDPSA-N 1 2 279.428 1.483 20 30 CDEDLO C=C1CCC(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC000896528196 620123810 /nfs/dbraw/zinc/12/38/10/620123810.db2.gz HHZUGKKHMXJRHG-HIFRSBDPSA-N 1 2 279.428 1.483 20 30 CDEDLO CCn1c[nH+]c2c1CCN(c1cncc(C#N)n1)C2 ZINC000896653043 620183502 /nfs/dbraw/zinc/18/35/02/620183502.db2.gz HPVYCWYGAYTHKI-UHFFFAOYSA-N 1 2 254.297 1.127 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896921368 620310110 /nfs/dbraw/zinc/31/01/10/620310110.db2.gz LGOGUSMNFIQSFO-LLVKDONJSA-N 1 2 251.330 1.624 20 30 CDEDLO C#CCCCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000896966696 620327650 /nfs/dbraw/zinc/32/76/50/620327650.db2.gz SVTKRLJPWLPMIV-AWEZNQCLSA-N 1 2 274.368 1.710 20 30 CDEDLO C#CCCCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000896966696 620327652 /nfs/dbraw/zinc/32/76/52/620327652.db2.gz SVTKRLJPWLPMIV-AWEZNQCLSA-N 1 2 274.368 1.710 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[N@H+]2CCOC[C@@H]2CC)cc1 ZINC000899201814 622095222 /nfs/dbraw/zinc/09/52/22/622095222.db2.gz RITMWUPGKUIPTB-INIZCTEOSA-N 1 2 286.375 1.509 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2CCOC[C@@H]2CC)cc1 ZINC000899201814 622095224 /nfs/dbraw/zinc/09/52/24/622095224.db2.gz RITMWUPGKUIPTB-INIZCTEOSA-N 1 2 286.375 1.509 20 30 CDEDLO N#Cc1ccc(-n2cc(C[NH+]3CCC(O)CC3)nn2)cc1 ZINC000899712174 622380814 /nfs/dbraw/zinc/38/08/14/622380814.db2.gz NXRPMNUZDZTGJG-UHFFFAOYSA-N 1 2 283.335 1.096 20 30 CDEDLO C=CCSCCNC(=O)CNc1cccc[nH+]1 ZINC000900415457 623026330 /nfs/dbraw/zinc/02/63/30/623026330.db2.gz SDUVWHNKTQVIRL-UHFFFAOYSA-N 1 2 251.355 1.529 20 30 CDEDLO CC(=Cc1[nH]c(C)c(C)[nH+]1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000901498299 624301403 /nfs/dbraw/zinc/30/14/03/624301403.db2.gz LOAJVKQRWGDVCA-FNORWQNLSA-N 1 2 269.308 1.850 20 30 CDEDLO CCn1c[nH+]c2c1CCN(Cn1ccc(C)c(C#N)c1=O)C2 ZINC000902551465 624967944 /nfs/dbraw/zinc/96/79/44/624967944.db2.gz SPJKOVFIXYLPPN-UHFFFAOYSA-N 1 2 297.362 1.261 20 30 CDEDLO F[C@@H]1CCCN(CC#CC[N@@H+]2CCC[C@@H](F)C2)C1 ZINC000902993270 625742196 /nfs/dbraw/zinc/74/21/96/625742196.db2.gz RPDQVAUBNQCODN-ZIAGYGMSSA-N 1 2 256.340 1.858 20 30 CDEDLO F[C@@H]1CCCN(CC#CC[N@H+]2CCC[C@@H](F)C2)C1 ZINC000902993270 625742206 /nfs/dbraw/zinc/74/22/06/625742206.db2.gz RPDQVAUBNQCODN-ZIAGYGMSSA-N 1 2 256.340 1.858 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000905723221 626947133 /nfs/dbraw/zinc/94/71/33/626947133.db2.gz YYXISXWOZJJZSL-SNVBAGLBSA-N 1 2 260.293 1.856 20 30 CDEDLO N#C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000905723221 626947136 /nfs/dbraw/zinc/94/71/36/626947136.db2.gz YYXISXWOZJJZSL-SNVBAGLBSA-N 1 2 260.293 1.856 20 30 CDEDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cnc2ccc(C#N)cc2n1 ZINC001170338033 1162345563 /nfs/dbraw/zinc/34/55/63/1162345563.db2.gz KQLRKHDFNGDWES-UHFFFAOYSA-N 1 2 294.318 1.202 20 30 CDEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)/C(C)=C/CC)CC1 ZINC001131339385 1162869049 /nfs/dbraw/zinc/86/90/49/1162869049.db2.gz ASYJGNMYWZLDCH-MKMNVTDBSA-N 1 2 293.411 1.179 20 30 CDEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)/C(C)=C/CC)CC1 ZINC001131339385 1162869057 /nfs/dbraw/zinc/86/90/57/1162869057.db2.gz ASYJGNMYWZLDCH-MKMNVTDBSA-N 1 2 293.411 1.179 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)c3ccccc3)[C@H]2C1 ZINC001083250274 1159156376 /nfs/dbraw/zinc/15/63/76/1159156376.db2.gz HJUUMGXKTKRDBJ-BHYGNILZSA-N 1 2 298.386 1.335 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)c3ccccc3)[C@H]2C1 ZINC001083250274 1159156379 /nfs/dbraw/zinc/15/63/79/1159156379.db2.gz HJUUMGXKTKRDBJ-BHYGNILZSA-N 1 2 298.386 1.335 20 30 CDEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)C(C)(C)F)CC[C@@H]1C ZINC001131742342 1163024202 /nfs/dbraw/zinc/02/42/02/1163024202.db2.gz CJAFYAPJHOWLAJ-NWDGAFQWSA-N 1 2 299.390 1.006 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C(C)(C)F)CC[C@@H]1C ZINC001131742342 1163024208 /nfs/dbraw/zinc/02/42/08/1163024208.db2.gz CJAFYAPJHOWLAJ-NWDGAFQWSA-N 1 2 299.390 1.006 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnc(C)[nH]2)[C@H]1C ZINC001088495200 1160459469 /nfs/dbraw/zinc/45/94/69/1160459469.db2.gz GKXCOGAWDZXVND-KOLCDFICSA-N 1 2 282.775 1.663 20 30 CDEDLO C=CCCC1(C(=O)NCC[NH2+]Cc2cnsn2)CC1 ZINC001133374219 1163660316 /nfs/dbraw/zinc/66/03/16/1163660316.db2.gz QFSXQNSSPVUXMK-UHFFFAOYSA-N 1 2 280.397 1.490 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nnc(C)o3)C[C@H]21 ZINC001114348309 1164493495 /nfs/dbraw/zinc/49/34/95/1164493495.db2.gz KZBODFGSWLVSGJ-JYAVWHMHSA-N 1 2 290.367 1.281 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nnc(C)o3)C[C@H]21 ZINC001114348309 1164493498 /nfs/dbraw/zinc/49/34/98/1164493498.db2.gz KZBODFGSWLVSGJ-JYAVWHMHSA-N 1 2 290.367 1.281 20 30 CDEDLO Cc1nc(-c2nn[nH]n2)c(N[NH2+]C=C2CC2(F)F)o1 ZINC001609446186 1164950538 /nfs/dbraw/zinc/95/05/38/1164950538.db2.gz PULQQADGISLJAP-RXMQYKEDSA-N 1 2 269.215 1.216 20 30 CDEDLO Cc1cc(C)c(CNC(=O)c2c[nH]c(C#N)c2)c[nH+]1 ZINC001638020355 1166812802 /nfs/dbraw/zinc/81/28/02/1166812802.db2.gz MRZMYWDZYXVQIF-UHFFFAOYSA-N 1 2 254.293 1.828 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2(CC)CC2)C1 ZINC001567840314 1169009818 /nfs/dbraw/zinc/00/98/18/1169009818.db2.gz OIQZWEMRZPHXDK-UHFFFAOYSA-N 1 2 256.777 1.977 20 30 CDEDLO Cc1cc(C[N@@H+]2CCCN(c3ccc(C#N)nn3)CC2)no1 ZINC001649733297 1169317568 /nfs/dbraw/zinc/31/75/68/1169317568.db2.gz BGGNAEUJBPVRIR-UHFFFAOYSA-N 1 2 298.350 1.357 20 30 CDEDLO Cc1cc(C[N@H+]2CCCN(c3ccc(C#N)nn3)CC2)no1 ZINC001649733297 1169317579 /nfs/dbraw/zinc/31/75/79/1169317579.db2.gz BGGNAEUJBPVRIR-UHFFFAOYSA-N 1 2 298.350 1.357 20 30 CDEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001588934552 1173117144 /nfs/dbraw/zinc/11/71/44/1173117144.db2.gz PGKNOQHPDBQZLV-QMMMGPOBSA-N 1 2 260.276 1.255 20 30 CDEDLO Cn1c[nH+]c(CCNc2c(C#N)cccc2-c2nn[nH]n2)c1 ZINC001592587726 1173924005 /nfs/dbraw/zinc/92/40/05/1173924005.db2.gz MQMUMJVFJKLDMK-UHFFFAOYSA-N 1 2 294.322 1.126 20 30 CDEDLO O=C1C=C([NH2+]Nc2ccc(-c3nn[nH]n3)cc2)[C@H]2CCCN12 ZINC001593377357 1174072692 /nfs/dbraw/zinc/07/26/92/1174072692.db2.gz DXQJNCSXKLHFHK-GFCCVEGCSA-N 1 2 297.322 1.029 20 30 CDEDLO N#Cc1ccc(OC[C@@H](O)C[NH2+]CC(F)F)cc1 ZINC000136594075 1175830031 /nfs/dbraw/zinc/83/00/31/1175830031.db2.gz TVEWLYUNLZUWAZ-JTQLQIEISA-N 1 2 256.252 1.153 20 30 CDEDLO N#CCSCC(=O)N[C@@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC001713058528 1178334156 /nfs/dbraw/zinc/33/41/56/1178334156.db2.gz RJOFFPPZJQCRJH-CJHWANRJSA-N 1 2 287.816 1.576 20 30 CDEDLO N#CCSCC(=O)N[C@@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC001713058528 1178334164 /nfs/dbraw/zinc/33/41/64/1178334164.db2.gz RJOFFPPZJQCRJH-CJHWANRJSA-N 1 2 287.816 1.576 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)CCC[N@H+](C)Cc1ccon1 ZINC001724844813 1181773335 /nfs/dbraw/zinc/77/33/35/1181773335.db2.gz ALPHVWBSXGEXAT-LLVKDONJSA-N 1 2 264.329 1.115 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)CCC[N@@H+](C)Cc1ccon1 ZINC001724844813 1181773339 /nfs/dbraw/zinc/77/33/39/1181773339.db2.gz ALPHVWBSXGEXAT-LLVKDONJSA-N 1 2 264.329 1.115 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[N@@H+](C)Cc2nccnc2C)C1 ZINC001753063111 1185030855 /nfs/dbraw/zinc/03/08/55/1185030855.db2.gz IOTSPLJGWBNEBI-UHFFFAOYSA-N 1 2 288.395 1.689 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[N@H+](C)Cc2nccnc2C)C1 ZINC001753063111 1185030862 /nfs/dbraw/zinc/03/08/62/1185030862.db2.gz IOTSPLJGWBNEBI-UHFFFAOYSA-N 1 2 288.395 1.689 20 30 CDEDLO CC#CCN1CC[NH+](CCN(C)C(=O)C(C)(C)C)CC1 ZINC001753344650 1185162249 /nfs/dbraw/zinc/16/22/49/1185162249.db2.gz NRTLHISGCWFEMR-UHFFFAOYSA-N 1 2 279.428 1.132 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)NC(=O)CC(C)(C)C)C1 ZINC001753391576 1185182410 /nfs/dbraw/zinc/18/24/10/1185182410.db2.gz WRSRQJDRBUGSSB-LBPRGKRZSA-N 1 2 295.427 1.304 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](F)C(C)C)C1 ZINC001753408245 1185190520 /nfs/dbraw/zinc/19/05/20/1185190520.db2.gz JORBPMZOTZAADN-NSHDSACASA-N 1 2 262.756 1.781 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@H](C)C[N@H+](C)Cc1cnnn1C ZINC001754328865 1185580472 /nfs/dbraw/zinc/58/04/72/1185580472.db2.gz QVWFHVOAFFVAAP-GFCCVEGCSA-N 1 2 293.415 1.354 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@H](C)C[N@@H+](C)Cc1cnnn1C ZINC001754328865 1185580476 /nfs/dbraw/zinc/58/04/76/1185580476.db2.gz QVWFHVOAFFVAAP-GFCCVEGCSA-N 1 2 293.415 1.354 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C(C)(F)F)C1 ZINC001755371359 1185931653 /nfs/dbraw/zinc/93/16/53/1185931653.db2.gz QBIGBCHOVSDQLW-QMMMGPOBSA-N 1 2 266.719 1.831 20 30 CDEDLO C#CCC[NH+]1CC([C@H](C)NC(=O)C(F)C(F)(F)F)C1 ZINC001755377835 1185934438 /nfs/dbraw/zinc/93/44/38/1185934438.db2.gz YNBLFRFNNZGGRI-WCBMZHEXSA-N 1 2 280.265 1.347 20 30 CDEDLO C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001755377835 1185934442 /nfs/dbraw/zinc/93/44/42/1185934442.db2.gz YNBLFRFNNZGGRI-WCBMZHEXSA-N 1 2 280.265 1.347 20 30 CDEDLO C=CC[NH+]1CCN(c2nc(Cl)nc(Cl)n2)CC1 ZINC001165031300 721865744 /nfs/dbraw/zinc/86/57/44/721865744.db2.gz CFHSORSHPUMOMP-UHFFFAOYSA-N 1 2 274.155 1.486 20 30 CDEDLO C=CC[NH+]1CCN(c2cc(OC)c([N+](=O)[O-])cn2)CC1 ZINC001165031598 721865969 /nfs/dbraw/zinc/86/59/69/721865969.db2.gz OTANGRAFKGQPNF-UHFFFAOYSA-N 1 2 278.312 1.306 20 30 CDEDLO C=CC[NH+]1CCN(c2nccnc2OC2CCC2)CC1 ZINC001165034110 721872549 /nfs/dbraw/zinc/87/25/49/721872549.db2.gz FJEACYIXDVMPSA-UHFFFAOYSA-N 1 2 274.368 1.716 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2coc(Br)c2)C1 ZINC001030398086 738409451 /nfs/dbraw/zinc/40/94/51/738409451.db2.gz XJSNWHKAGAVANJ-UHFFFAOYSA-N 1 2 297.152 1.479 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2n[nH]c(C)c2C)C1 ZINC001032955660 738411084 /nfs/dbraw/zinc/41/10/84/738411084.db2.gz YDMDXLJNYROSER-LBPRGKRZSA-N 1 2 296.802 1.925 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2n[nH]c(C)c2C)C1 ZINC001032955660 738411088 /nfs/dbraw/zinc/41/10/88/738411088.db2.gz YDMDXLJNYROSER-LBPRGKRZSA-N 1 2 296.802 1.925 20 30 CDEDLO N#Cc1cccn(CN2CC[C@@H](Oc3cc[nH+]cc3)C2)c1=O ZINC000788380380 736362625 /nfs/dbraw/zinc/36/26/25/736362625.db2.gz IGABBXGXFBKRTP-OAHLLOKOSA-N 1 2 296.330 1.226 20 30 CDEDLO C[C@H](c1cnccn1)[N@@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC000980848791 736367658 /nfs/dbraw/zinc/36/76/58/736367658.db2.gz BRTVIBQEYZCCQQ-QWHCGFSZSA-N 1 2 287.367 1.232 20 30 CDEDLO C[C@H](c1cnccn1)[N@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC000980848791 736367664 /nfs/dbraw/zinc/36/76/64/736367664.db2.gz BRTVIBQEYZCCQQ-QWHCGFSZSA-N 1 2 287.367 1.232 20 30 CDEDLO C#C[C@H]([NH2+]Cc1nnc2n1CCCCC2)[C@H]1CCCO1 ZINC000775789850 736430297 /nfs/dbraw/zinc/43/02/97/736430297.db2.gz FHSUDOIQZSDHMH-QWHCGFSZSA-N 1 2 274.368 1.275 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccncn3)cc2C1 ZINC001054286548 736466144 /nfs/dbraw/zinc/46/61/44/736466144.db2.gz JWBWAMNUSXAWED-UHFFFAOYSA-N 1 2 292.342 1.355 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccncn3)cc2C1 ZINC001054286548 736466147 /nfs/dbraw/zinc/46/61/47/736466147.db2.gz JWBWAMNUSXAWED-UHFFFAOYSA-N 1 2 292.342 1.355 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001075774983 736489997 /nfs/dbraw/zinc/48/99/97/736489997.db2.gz ZGSNDEYMPUNZTM-UONOGXRCSA-N 1 2 278.783 1.685 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001075774983 736490002 /nfs/dbraw/zinc/49/00/02/736490002.db2.gz ZGSNDEYMPUNZTM-UONOGXRCSA-N 1 2 278.783 1.685 20 30 CDEDLO C=C(C)CNC(=S)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000849280817 736561603 /nfs/dbraw/zinc/56/16/03/736561603.db2.gz HWRCARSOEZAKDC-NEPJUHHUSA-N 1 2 271.430 1.136 20 30 CDEDLO C=C(C)CNC(=S)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000849280817 736561605 /nfs/dbraw/zinc/56/16/05/736561605.db2.gz HWRCARSOEZAKDC-NEPJUHHUSA-N 1 2 271.430 1.136 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001032589980 736628568 /nfs/dbraw/zinc/62/85/68/736628568.db2.gz LMBOWIPBCUJXJK-DZKIICNBSA-N 1 2 284.334 1.384 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001032589980 736628572 /nfs/dbraw/zinc/62/85/72/736628572.db2.gz LMBOWIPBCUJXJK-DZKIICNBSA-N 1 2 284.334 1.384 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccnn2CCC)C1 ZINC001042802534 736652431 /nfs/dbraw/zinc/65/24/31/736652431.db2.gz IKNSSWOSVPBZKU-UHFFFAOYSA-N 1 2 276.384 1.625 20 30 CDEDLO C#Cc1cncc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000806786640 736655135 /nfs/dbraw/zinc/65/51/35/736655135.db2.gz RIXUIOBXSJBLHI-HNNXBMFYSA-N 1 2 280.331 1.737 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC1(F)F ZINC001050972792 736661724 /nfs/dbraw/zinc/66/17/24/736661724.db2.gz XSXLDBJSXZBVFN-NEPJUHHUSA-N 1 2 288.338 1.425 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC1(F)F ZINC001050972792 736661737 /nfs/dbraw/zinc/66/17/37/736661737.db2.gz XSXLDBJSXZBVFN-NEPJUHHUSA-N 1 2 288.338 1.425 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCCS2)CC1 ZINC000783392166 736683170 /nfs/dbraw/zinc/68/31/70/736683170.db2.gz KGSGCYSGBXWYET-ZDUSSCGKSA-N 1 2 266.410 1.440 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C2CCC(F)CC2)C1 ZINC001035495489 736719409 /nfs/dbraw/zinc/71/94/09/736719409.db2.gz KUWRCARYRWWZSH-YMAMQOFZSA-N 1 2 298.402 1.908 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C2CCC(F)CC2)C1 ZINC001035495489 736719414 /nfs/dbraw/zinc/71/94/14/736719414.db2.gz KUWRCARYRWWZSH-YMAMQOFZSA-N 1 2 298.402 1.908 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@@H]1C(C)C ZINC001017606440 736734471 /nfs/dbraw/zinc/73/44/71/736734471.db2.gz PVQKJHZIRCUURP-QKPAOTATSA-N 1 2 290.407 1.356 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@@H]1C(C)C ZINC001017606440 736734473 /nfs/dbraw/zinc/73/44/73/736734473.db2.gz PVQKJHZIRCUURP-QKPAOTATSA-N 1 2 290.407 1.356 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1nc(C2CC2)oc1C ZINC001038858322 736752242 /nfs/dbraw/zinc/75/22/42/736752242.db2.gz HXRIIOQFFUKPGR-GFCCVEGCSA-N 1 2 275.352 1.851 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc(C2CC2)oc1C ZINC001038858322 736752248 /nfs/dbraw/zinc/75/22/48/736752248.db2.gz HXRIIOQFFUKPGR-GFCCVEGCSA-N 1 2 275.352 1.851 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cn2nccc2C)C1 ZINC001033477982 736819794 /nfs/dbraw/zinc/81/97/94/736819794.db2.gz HZSPPNLGMVKEJP-ZDUSSCGKSA-N 1 2 296.802 1.477 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2nccc2C)C1 ZINC001033477982 736819798 /nfs/dbraw/zinc/81/97/98/736819798.db2.gz HZSPPNLGMVKEJP-ZDUSSCGKSA-N 1 2 296.802 1.477 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000800337074 736846842 /nfs/dbraw/zinc/84/68/42/736846842.db2.gz QSWVMGYZGSBANF-RYUDHWBXSA-N 1 2 298.383 1.561 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000800337074 736846846 /nfs/dbraw/zinc/84/68/46/736846846.db2.gz QSWVMGYZGSBANF-RYUDHWBXSA-N 1 2 298.383 1.561 20 30 CDEDLO C=C[C@H](CC)CC(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000930123471 738468360 /nfs/dbraw/zinc/46/83/60/738468360.db2.gz VBTGOTIEMUPYEC-CQSZACIVSA-N 1 2 295.427 1.259 20 30 CDEDLO C=C[C@H](CC)CC(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000930123471 738468372 /nfs/dbraw/zinc/46/83/72/738468372.db2.gz VBTGOTIEMUPYEC-CQSZACIVSA-N 1 2 295.427 1.259 20 30 CDEDLO C=CC[N@H+](Cc1ccccc1)CN1C[C@@H](OC)CC1=O ZINC000189059846 737148007 /nfs/dbraw/zinc/14/80/07/737148007.db2.gz UHSPLBUWTZVEDT-HNNXBMFYSA-N 1 2 274.364 1.879 20 30 CDEDLO C=CC[N@@H+](Cc1ccccc1)CN1C[C@@H](OC)CC1=O ZINC000189059846 737148010 /nfs/dbraw/zinc/14/80/10/737148010.db2.gz UHSPLBUWTZVEDT-HNNXBMFYSA-N 1 2 274.364 1.879 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cocn3)C[C@@H]21 ZINC001041972948 737166711 /nfs/dbraw/zinc/16/67/11/737166711.db2.gz QGQYJGQACGMMIN-YPMHNXCESA-N 1 2 295.770 1.964 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cocn3)C[C@@H]21 ZINC001041972948 737166719 /nfs/dbraw/zinc/16/67/19/737166719.db2.gz QGQYJGQACGMMIN-YPMHNXCESA-N 1 2 295.770 1.964 20 30 CDEDLO C#CC[NH+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000782137683 737178785 /nfs/dbraw/zinc/17/87/85/737178785.db2.gz ULBOBSGVLYOTFL-UHFFFAOYSA-N 1 2 297.318 1.293 20 30 CDEDLO C[C@H](CC(=O)OC1CCN(CC#N)CC1)n1cc[nH+]c1 ZINC000845498581 737197730 /nfs/dbraw/zinc/19/77/30/737197730.db2.gz ZGYUOTJGLLNECN-GFCCVEGCSA-N 1 2 276.340 1.365 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001044056022 737211250 /nfs/dbraw/zinc/21/12/50/737211250.db2.gz LQTOERUIZKITIB-CYBMUJFWSA-N 1 2 298.386 1.790 20 30 CDEDLO CN(CC(F)(F)F)C(=O)CO[NH+]=C(N)c1ccccc1 ZINC000177459958 737223405 /nfs/dbraw/zinc/22/34/05/737223405.db2.gz WRYUTAALYIKYTF-UHFFFAOYSA-N 1 2 289.257 1.344 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1nccc2ccsc21 ZINC001038370133 737254622 /nfs/dbraw/zinc/25/46/22/737254622.db2.gz ZVRVYANEDYZFJT-LBPRGKRZSA-N 1 2 285.372 1.734 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1nccc2ccsc21 ZINC001038370133 737254626 /nfs/dbraw/zinc/25/46/26/737254626.db2.gz ZVRVYANEDYZFJT-LBPRGKRZSA-N 1 2 285.372 1.734 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC001038431083 737260401 /nfs/dbraw/zinc/26/04/01/737260401.db2.gz OVBIJXVFOUTIKZ-IAGOWNOFSA-N 1 2 298.386 1.628 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC001038431083 737260408 /nfs/dbraw/zinc/26/04/08/737260408.db2.gz OVBIJXVFOUTIKZ-IAGOWNOFSA-N 1 2 298.386 1.628 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(F)cccc1OC ZINC001038294048 737347332 /nfs/dbraw/zinc/34/73/32/737347332.db2.gz SHLBLBIMIFQPMF-GFCCVEGCSA-N 1 2 290.338 1.662 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(F)cccc1OC ZINC001038294048 737347338 /nfs/dbraw/zinc/34/73/38/737347338.db2.gz SHLBLBIMIFQPMF-GFCCVEGCSA-N 1 2 290.338 1.662 20 30 CDEDLO C=C[C@@H](O)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000814541822 737377669 /nfs/dbraw/zinc/37/76/69/737377669.db2.gz UVFRGHBQDXDRKE-CYBMUJFWSA-N 1 2 258.277 1.462 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001017555648 737433257 /nfs/dbraw/zinc/43/32/57/737433257.db2.gz RVIIDKJCXOHXQP-HZSPNIEDSA-N 1 2 298.390 1.138 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001017555648 737433276 /nfs/dbraw/zinc/43/32/76/737433276.db2.gz RVIIDKJCXOHXQP-HZSPNIEDSA-N 1 2 298.390 1.138 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001032000809 737436828 /nfs/dbraw/zinc/43/68/28/737436828.db2.gz YBXQMHPYZPQSCM-UHFFFAOYSA-N 1 2 294.786 1.701 20 30 CDEDLO COC(=O)[C@H]([NH2+]CCCOc1ccc(C#N)cc1)C1CC1 ZINC000788463415 737554276 /nfs/dbraw/zinc/55/42/76/737554276.db2.gz BOAKZYCBRKYOMM-OAHLLOKOSA-N 1 2 288.347 1.868 20 30 CDEDLO C#C[C@H](C)N(C)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000882132760 737595804 /nfs/dbraw/zinc/59/58/04/737595804.db2.gz PEBYJOSDQLSYJI-LBPRGKRZSA-N 1 2 292.404 1.317 20 30 CDEDLO C#C[C@H](C)N(C)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000882132760 737595810 /nfs/dbraw/zinc/59/58/10/737595810.db2.gz PEBYJOSDQLSYJI-LBPRGKRZSA-N 1 2 292.404 1.317 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2cnn(-c3ccccc3)n2)C1 ZINC001031369769 738500355 /nfs/dbraw/zinc/50/03/55/738500355.db2.gz DJQCMIXLYQXJJK-UHFFFAOYSA-N 1 2 297.362 1.257 20 30 CDEDLO Cc1nc(N(C)C[C@H]2CCCN2C(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001067742982 737701599 /nfs/dbraw/zinc/70/15/99/737701599.db2.gz SJPYTWLSJXTIPR-WCQYABFASA-N 1 2 287.367 1.372 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC23CC3)C1 ZINC001073785117 737731971 /nfs/dbraw/zinc/73/19/71/737731971.db2.gz BSJOXRACLSPXAG-QWHCGFSZSA-N 1 2 298.814 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC23CC3)C1 ZINC001073785117 737731974 /nfs/dbraw/zinc/73/19/74/737731974.db2.gz BSJOXRACLSPXAG-QWHCGFSZSA-N 1 2 298.814 1.746 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@](C)(C#N)CC ZINC000874708486 737814421 /nfs/dbraw/zinc/81/44/21/737814421.db2.gz NYZBPKSXYNHYNK-JSGCOSHPSA-N 1 2 267.373 1.153 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@](C)(C#N)CC ZINC000874708486 737814426 /nfs/dbraw/zinc/81/44/26/737814426.db2.gz NYZBPKSXYNHYNK-JSGCOSHPSA-N 1 2 267.373 1.153 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001038332927 737889586 /nfs/dbraw/zinc/88/95/86/737889586.db2.gz IGCHHMSTEWLOGQ-GHMZBOCLSA-N 1 2 256.296 1.246 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001038332927 737889587 /nfs/dbraw/zinc/88/95/87/737889587.db2.gz IGCHHMSTEWLOGQ-GHMZBOCLSA-N 1 2 256.296 1.246 20 30 CDEDLO C#CC[C@H](CCOC)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000858857266 737939424 /nfs/dbraw/zinc/93/94/24/737939424.db2.gz MBSVUNSJJJKASO-VXGBXAGGSA-N 1 2 278.356 1.110 20 30 CDEDLO C#CC[C@H](CCOC)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000858857266 737939428 /nfs/dbraw/zinc/93/94/28/737939428.db2.gz MBSVUNSJJJKASO-VXGBXAGGSA-N 1 2 278.356 1.110 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2snnc2C)CC[C@@H]1C ZINC001071347965 737953213 /nfs/dbraw/zinc/95/32/13/737953213.db2.gz TXLRSNWECIZBOT-ONGXEEELSA-N 1 2 278.381 1.062 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2snnc2C)CC[C@@H]1C ZINC001071347965 737953218 /nfs/dbraw/zinc/95/32/18/737953218.db2.gz TXLRSNWECIZBOT-ONGXEEELSA-N 1 2 278.381 1.062 20 30 CDEDLO COc1c(C)c[nH+]c(CNC(=O)C#CC(C)C)c1C ZINC000824814300 737959773 /nfs/dbraw/zinc/95/97/73/737959773.db2.gz PFGBHMPYPYSSRM-UHFFFAOYSA-N 1 2 260.337 1.983 20 30 CDEDLO COCCN(C)[NH+]=Cc1cc(F)c(N(C)C)cc1F ZINC000863111759 738045452 /nfs/dbraw/zinc/04/54/52/738045452.db2.gz HXDNGISYMURPBS-UHFFFAOYSA-N 1 2 271.311 1.943 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1-c1ccco1 ZINC001038257327 738052258 /nfs/dbraw/zinc/05/22/58/738052258.db2.gz ZYPYHKJSOFAUAD-LBPRGKRZSA-N 1 2 298.346 1.117 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1-c1ccco1 ZINC001038257327 738052262 /nfs/dbraw/zinc/05/22/62/738052262.db2.gz ZYPYHKJSOFAUAD-LBPRGKRZSA-N 1 2 298.346 1.117 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2cnc(C3CC3)s2)CC1 ZINC000989528217 738053217 /nfs/dbraw/zinc/05/32/17/738053217.db2.gz AOVSEBRQCMZYHH-UHFFFAOYSA-N 1 2 289.404 1.802 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2cnc(C3CC3)s2)CC1 ZINC000989528217 738053222 /nfs/dbraw/zinc/05/32/22/738053222.db2.gz AOVSEBRQCMZYHH-UHFFFAOYSA-N 1 2 289.404 1.802 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(c2ccccc2)CC1 ZINC001032766937 738094535 /nfs/dbraw/zinc/09/45/35/738094535.db2.gz XFMJNNACUYPWFO-HOTGVXAUSA-N 1 2 280.371 1.637 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(c2ccccc2)CC1 ZINC001032766937 738094541 /nfs/dbraw/zinc/09/45/41/738094541.db2.gz XFMJNNACUYPWFO-HOTGVXAUSA-N 1 2 280.371 1.637 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CO[C@@H](C)C1 ZINC001017675814 738154345 /nfs/dbraw/zinc/15/43/45/738154345.db2.gz KZJRUUXKSGUDPW-LJISPDSOSA-N 1 2 276.380 1.110 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CO[C@@H](C)C1 ZINC001017675814 738154353 /nfs/dbraw/zinc/15/43/53/738154353.db2.gz KZJRUUXKSGUDPW-LJISPDSOSA-N 1 2 276.380 1.110 20 30 CDEDLO CCCCNC(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000048376212 738208342 /nfs/dbraw/zinc/20/83/42/738208342.db2.gz MWMNUPOKBRHDGM-UHFFFAOYSA-N 1 2 267.304 1.379 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1nccs1 ZINC001038835576 738221351 /nfs/dbraw/zinc/22/13/51/738221351.db2.gz LAWMMNYCILNSLQ-SNVBAGLBSA-N 1 2 251.355 1.523 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1nccs1 ZINC001038835576 738221361 /nfs/dbraw/zinc/22/13/61/738221361.db2.gz LAWMMNYCILNSLQ-SNVBAGLBSA-N 1 2 251.355 1.523 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3(C)CCC3)C[C@H]21 ZINC001074315014 738224232 /nfs/dbraw/zinc/22/42/32/738224232.db2.gz OHWGQPYDZGYRRO-HUUCEWRRSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(C)CCC3)C[C@H]21 ZINC001074315014 738224237 /nfs/dbraw/zinc/22/42/37/738224237.db2.gz OHWGQPYDZGYRRO-HUUCEWRRSA-N 1 2 290.407 1.502 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCC[C@@H](C(C)C)C1 ZINC000884125578 738224311 /nfs/dbraw/zinc/22/43/11/738224311.db2.gz BTHHIZIMMCZHCX-RDBSUJKOSA-N 1 2 296.411 1.764 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(F)c2ccncc12 ZINC001038616577 738227587 /nfs/dbraw/zinc/22/75/87/738227587.db2.gz KHMVUYATZLAPIG-LBPRGKRZSA-N 1 2 297.333 1.811 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(F)c2ccncc12 ZINC001038616577 738227594 /nfs/dbraw/zinc/22/75/94/738227594.db2.gz KHMVUYATZLAPIG-LBPRGKRZSA-N 1 2 297.333 1.811 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccncn1 ZINC001028208096 738313094 /nfs/dbraw/zinc/31/30/94/738313094.db2.gz HGPQGRZNJQRESV-LLVKDONJSA-N 1 2 280.759 1.423 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccncn1 ZINC001028208096 738313100 /nfs/dbraw/zinc/31/31/00/738313100.db2.gz HGPQGRZNJQRESV-LLVKDONJSA-N 1 2 280.759 1.423 20 30 CDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cccnn2)CC1 ZINC001004574779 738324390 /nfs/dbraw/zinc/32/43/90/738324390.db2.gz DMXXBASRVKYLLT-HNNXBMFYSA-N 1 2 299.378 1.317 20 30 CDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cccnn2)CC1 ZINC001004574779 738324396 /nfs/dbraw/zinc/32/43/96/738324396.db2.gz DMXXBASRVKYLLT-HNNXBMFYSA-N 1 2 299.378 1.317 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CCNc1nnc(C)c(C)c1C#N ZINC000872770861 738350977 /nfs/dbraw/zinc/35/09/77/738350977.db2.gz BBOZFXZIKYMDHN-CYBMUJFWSA-N 1 2 289.383 1.488 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CCNc1nnc(C)c(C)c1C#N ZINC000872770861 738350982 /nfs/dbraw/zinc/35/09/82/738350982.db2.gz BBOZFXZIKYMDHN-CYBMUJFWSA-N 1 2 289.383 1.488 20 30 CDEDLO C#CCOc1ccc(C(=O)OCCc2c[nH+]cn2C)cc1 ZINC000789773605 738394585 /nfs/dbraw/zinc/39/45/85/738394585.db2.gz XVDHNMWCCUTBSD-UHFFFAOYSA-N 1 2 284.315 1.832 20 30 CDEDLO C#CC[C@H]([NH2+]C1CCC2(CCCO2)CC1)C(=O)OC ZINC000839170225 738353851 /nfs/dbraw/zinc/35/38/51/738353851.db2.gz XVHYYCKMIAZRBA-OWYJLGKBSA-N 1 2 265.353 1.633 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C)c(C)c2)C1 ZINC001031343305 738589909 /nfs/dbraw/zinc/58/99/09/738589909.db2.gz BVGPFOOFPJEJSC-UHFFFAOYSA-N 1 2 256.349 1.741 20 30 CDEDLO C#CC[NH2+][C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC000999206644 738594652 /nfs/dbraw/zinc/59/46/52/738594652.db2.gz GFZKNAPXUYXZOE-RKDXNWHRSA-N 1 2 266.238 1.101 20 30 CDEDLO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000999206644 738594656 /nfs/dbraw/zinc/59/46/56/738594656.db2.gz GFZKNAPXUYXZOE-RKDXNWHRSA-N 1 2 266.238 1.101 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000800337073 738604176 /nfs/dbraw/zinc/60/41/76/738604176.db2.gz QSWVMGYZGSBANF-NWDGAFQWSA-N 1 2 298.383 1.561 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000800337073 738604183 /nfs/dbraw/zinc/60/41/83/738604183.db2.gz QSWVMGYZGSBANF-NWDGAFQWSA-N 1 2 298.383 1.561 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(C(C)(C)C)c1C ZINC001038327221 738646869 /nfs/dbraw/zinc/64/68/69/738646869.db2.gz IVHCBMDPVDUBPL-ZDUSSCGKSA-N 1 2 288.395 1.384 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(C(C)(C)C)c1C ZINC001038327221 738646877 /nfs/dbraw/zinc/64/68/77/738646877.db2.gz IVHCBMDPVDUBPL-ZDUSSCGKSA-N 1 2 288.395 1.384 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCCOc1ccc(C(C)C)cc1 ZINC000192230677 738656040 /nfs/dbraw/zinc/65/60/40/738656040.db2.gz VYIMZKKKYYHGLN-UHFFFAOYSA-N 1 2 288.391 1.870 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCCOc1ccc(C(C)C)cc1 ZINC000192230677 738656046 /nfs/dbraw/zinc/65/60/46/738656046.db2.gz VYIMZKKKYYHGLN-UHFFFAOYSA-N 1 2 288.391 1.870 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H]2CCCCO2)C1 ZINC001042598934 738694548 /nfs/dbraw/zinc/69/45/48/738694548.db2.gz GZKJFWWBCPJPIT-AWEZNQCLSA-N 1 2 266.385 1.664 20 30 CDEDLO CCOC(=O)c1cn(C[NH+]2CCC(CC#N)CC2)nc1C ZINC000781572758 738699959 /nfs/dbraw/zinc/69/99/59/738699959.db2.gz UMFFDIPOLOQBBE-UHFFFAOYSA-N 1 2 290.367 1.951 20 30 CDEDLO CC(C)(F)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001009864819 738771156 /nfs/dbraw/zinc/77/11/56/738771156.db2.gz NZJUKUFNZWJXOV-CQSZACIVSA-N 1 2 289.354 1.997 20 30 CDEDLO CC(C)(F)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001009864819 738771161 /nfs/dbraw/zinc/77/11/61/738771161.db2.gz NZJUKUFNZWJXOV-CQSZACIVSA-N 1 2 289.354 1.997 20 30 CDEDLO CC(=[NH+]Nc1cnn(C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799113234 738779903 /nfs/dbraw/zinc/77/99/03/738779903.db2.gz ASJCICGNSBKOSQ-UHFFFAOYSA-N 1 2 274.284 1.747 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@](C)(C=C)CC ZINC001017896197 738801953 /nfs/dbraw/zinc/80/19/53/738801953.db2.gz NROGFVWEUQHITQ-LZWOXQAQSA-N 1 2 260.381 1.897 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@](C)(C=C)CC ZINC001017896197 738801954 /nfs/dbraw/zinc/80/19/54/738801954.db2.gz NROGFVWEUQHITQ-LZWOXQAQSA-N 1 2 260.381 1.897 20 30 CDEDLO Clc1cncnc1N=NCc1c[nH+]c2n1CCC2 ZINC000853336880 738802400 /nfs/dbraw/zinc/80/24/00/738802400.db2.gz QDEKKNBOEPXMKY-UHFFFAOYSA-N 1 2 262.704 1.719 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2cncc(C)c2)C1 ZINC001043473693 738804741 /nfs/dbraw/zinc/80/47/41/738804741.db2.gz CKDXBPOGXQVYAR-UHFFFAOYSA-N 1 2 273.380 1.651 20 30 CDEDLO Cc1cc(C[NH+]2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)on1 ZINC001031619272 738851972 /nfs/dbraw/zinc/85/19/72/738851972.db2.gz QNYOVBMUISWAJC-UHFFFAOYSA-N 1 2 299.334 1.045 20 30 CDEDLO N#C[C@H]1CCCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000922078536 738855658 /nfs/dbraw/zinc/85/56/58/738855658.db2.gz DUALUPXUGBDXBH-NEPJUHHUSA-N 1 2 273.340 1.143 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cccc(=O)[nH]2)C1=O ZINC000933401400 738852974 /nfs/dbraw/zinc/85/29/74/738852974.db2.gz JQUFMKKVVWGEFM-GFCCVEGCSA-N 1 2 261.325 1.006 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cccc(=O)[nH]2)C1=O ZINC000933401400 738852977 /nfs/dbraw/zinc/85/29/77/738852977.db2.gz JQUFMKKVVWGEFM-GFCCVEGCSA-N 1 2 261.325 1.006 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(CC#N)ccn1 ZINC000871719963 738876725 /nfs/dbraw/zinc/87/67/25/738876725.db2.gz POWCMVLWOYDULL-NSHDSACASA-N 1 2 284.323 1.554 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)C2=COCCC2)C1 ZINC000949773893 738878494 /nfs/dbraw/zinc/87/84/94/738878494.db2.gz YFJCCCAIAJGPPU-UHFFFAOYSA-N 1 2 264.369 1.790 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccncc2Cl)C1 ZINC001030963022 738881318 /nfs/dbraw/zinc/88/13/18/738881318.db2.gz HZFHQINAMQZVSE-UHFFFAOYSA-N 1 2 277.755 1.101 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2CCCC2)C1 ZINC001035262966 738882985 /nfs/dbraw/zinc/88/29/85/738882985.db2.gz APVNNMYKGGHSRN-ZDUSSCGKSA-N 1 2 252.358 1.180 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C2CCCC2)C1 ZINC001035262966 738882988 /nfs/dbraw/zinc/88/29/88/738882988.db2.gz APVNNMYKGGHSRN-ZDUSSCGKSA-N 1 2 252.358 1.180 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)cc1 ZINC000305746965 738884207 /nfs/dbraw/zinc/88/42/07/738884207.db2.gz RDVKMWRAQXOGSX-ZENOOKHLSA-N 1 2 290.363 1.559 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)cc1 ZINC000305746965 738884208 /nfs/dbraw/zinc/88/42/08/738884208.db2.gz RDVKMWRAQXOGSX-ZENOOKHLSA-N 1 2 290.363 1.559 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2nc(COC)no2)CC1 ZINC000886776380 739067739 /nfs/dbraw/zinc/06/77/39/739067739.db2.gz FCDWUQFJWZVCAW-UHFFFAOYSA-N 1 2 267.329 1.119 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3cccnc3c2)C1 ZINC001031120658 739093377 /nfs/dbraw/zinc/09/33/77/739093377.db2.gz RIPJPSGWYZLAHR-UHFFFAOYSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001030771424 739128693 /nfs/dbraw/zinc/12/86/93/739128693.db2.gz JHSLMTHFNODWCV-UHFFFAOYSA-N 1 2 285.322 1.744 20 30 CDEDLO C#Cc1cccc(CNC(=O)NCCCn2cc[nH+]c2)c1 ZINC000837316288 739138166 /nfs/dbraw/zinc/13/81/66/739138166.db2.gz IYLKBWNXQIATQS-UHFFFAOYSA-N 1 2 282.347 1.754 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001030409404 739153282 /nfs/dbraw/zinc/15/32/82/739153282.db2.gz JBMIEZDRULBBHU-SNVBAGLBSA-N 1 2 258.312 1.798 20 30 CDEDLO Cc1cc(NC(=O)CC[N@@H+]2CCC[C@H](C#N)C2)no1 ZINC000932159469 739231138 /nfs/dbraw/zinc/23/11/38/739231138.db2.gz KLKJRTVKRODBAS-LLVKDONJSA-N 1 2 262.313 1.547 20 30 CDEDLO Cc1cc(NC(=O)CC[N@H+]2CCC[C@H](C#N)C2)no1 ZINC000932159469 739231142 /nfs/dbraw/zinc/23/11/42/739231142.db2.gz KLKJRTVKRODBAS-LLVKDONJSA-N 1 2 262.313 1.547 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](CN2C[C@@]3(CCOC3)CC2=O)C1 ZINC000853524406 738908320 /nfs/dbraw/zinc/90/83/20/738908320.db2.gz MTAHASBECOAQAH-UKRRQHHQSA-N 1 2 277.368 1.209 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](CN2C[C@@]3(CCOC3)CC2=O)C1 ZINC000853524406 738908327 /nfs/dbraw/zinc/90/83/27/738908327.db2.gz MTAHASBECOAQAH-UKRRQHHQSA-N 1 2 277.368 1.209 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@H]2CCC(C)(C)CO2)nn1 ZINC000881389613 738920269 /nfs/dbraw/zinc/92/02/69/738920269.db2.gz JQRFZUXRJPKVAT-CQSZACIVSA-N 1 2 276.384 1.596 20 30 CDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cocn2)C1 ZINC001031579338 738924065 /nfs/dbraw/zinc/92/40/65/738924065.db2.gz FPBBWZQHFHPQOZ-UHFFFAOYSA-N 1 2 296.330 1.408 20 30 CDEDLO C=CCCC(C)(C)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000869308716 738925729 /nfs/dbraw/zinc/92/57/29/738925729.db2.gz NQANHPZVKJCICK-SREVYHEPSA-N 1 2 266.385 1.736 20 30 CDEDLO Cc1nc(NC[C@H]2CCCN2C(=O)C#CC2CC2)cc[nH+]1 ZINC001063481671 736389974 /nfs/dbraw/zinc/38/99/74/736389974.db2.gz CKRZTZFNHQJPQX-CQSZACIVSA-N 1 2 284.363 1.601 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](Nc2nnc(C(F)F)o2)C1 ZINC000884611556 736395241 /nfs/dbraw/zinc/39/52/41/736395241.db2.gz OSXFDGGDHMCLRM-MRVPVSSYSA-N 1 2 256.256 1.517 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](Nc2nnc(C(F)F)o2)C1 ZINC000884611556 736395245 /nfs/dbraw/zinc/39/52/45/736395245.db2.gz OSXFDGGDHMCLRM-MRVPVSSYSA-N 1 2 256.256 1.517 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2nncc3ccccc32)C1 ZINC001043308372 736398300 /nfs/dbraw/zinc/39/83/00/736398300.db2.gz NSNAYYNUBRCXGN-UHFFFAOYSA-N 1 2 294.358 1.409 20 30 CDEDLO C[C@@H](CC(=O)[C@@H](C#N)C(=O)NC1CCCC1)n1cc[nH+]c1 ZINC000845452377 736420080 /nfs/dbraw/zinc/42/00/80/736420080.db2.gz UPSRQSUNZCCWOR-WCQYABFASA-N 1 2 288.351 1.602 20 30 CDEDLO COc1ccc(CC(N)=[NH+]OC[C@H](C)OC)cc1OC ZINC000181609169 736511160 /nfs/dbraw/zinc/51/11/60/736511160.db2.gz PAIGLDMZGXRZPM-JTQLQIEISA-N 1 2 282.340 1.570 20 30 CDEDLO C=CCN(CC(=O)OCC)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000831217509 736513117 /nfs/dbraw/zinc/51/31/17/736513117.db2.gz ZLSQMOFVURVADK-VXGBXAGGSA-N 1 2 291.351 1.101 20 30 CDEDLO Cc1ccc(NC(=O)c2c[nH]c(C#N)c2)c(N(C)C)[nH+]1 ZINC000778935049 736517609 /nfs/dbraw/zinc/51/76/09/736517609.db2.gz UILFJPMJCNPONT-UHFFFAOYSA-N 1 2 269.308 1.908 20 30 CDEDLO Cc1nc(N(C)C[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001062096536 736522996 /nfs/dbraw/zinc/52/29/96/736522996.db2.gz OOPCOEPZPTXTHN-YPMHNXCESA-N 1 2 287.367 1.229 20 30 CDEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)[C@@H]2C)CC1 ZINC000993740092 736550745 /nfs/dbraw/zinc/55/07/45/736550745.db2.gz HUDDNILJFFOVEV-OCCSQVGLSA-N 1 2 293.411 1.187 20 30 CDEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)[C@@H]2C)CC1 ZINC000993740092 736550747 /nfs/dbraw/zinc/55/07/47/736550747.db2.gz HUDDNILJFFOVEV-OCCSQVGLSA-N 1 2 293.411 1.187 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CCNc1ccc(C)nc1C#N ZINC000882719332 736564057 /nfs/dbraw/zinc/56/40/57/736564057.db2.gz IYCVZPIILYDUAC-ZDUSSCGKSA-N 1 2 274.368 1.784 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CCNc1ccc(C)nc1C#N ZINC000882719332 736564063 /nfs/dbraw/zinc/56/40/63/736564063.db2.gz IYCVZPIILYDUAC-ZDUSSCGKSA-N 1 2 274.368 1.784 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1conc1C ZINC001028110941 736619573 /nfs/dbraw/zinc/61/95/73/736619573.db2.gz IFYOCMPMVNUTRO-LLVKDONJSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1conc1C ZINC001028110941 736619574 /nfs/dbraw/zinc/61/95/74/736619574.db2.gz IFYOCMPMVNUTRO-LLVKDONJSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c(Cl)cnn2C)C1 ZINC001042730801 736711248 /nfs/dbraw/zinc/71/12/48/736711248.db2.gz PEICHJMSQOKMDW-UHFFFAOYSA-N 1 2 282.775 1.406 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2occc2CC)C1 ZINC001035501758 736735425 /nfs/dbraw/zinc/73/54/25/736735425.db2.gz ITDPLIHLIGIRJH-CQSZACIVSA-N 1 2 292.379 1.849 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2occc2CC)C1 ZINC001035501758 736735435 /nfs/dbraw/zinc/73/54/35/736735435.db2.gz ITDPLIHLIGIRJH-CQSZACIVSA-N 1 2 292.379 1.849 20 30 CDEDLO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCc2cnn[nH]2)[C@H]1C ZINC000987024769 736737099 /nfs/dbraw/zinc/73/70/99/736737099.db2.gz HDSXXQJQPSIGPC-JQWIXIFHSA-N 1 2 297.790 1.069 20 30 CDEDLO C[C@@H](O)CN(C)N=C1CCN(c2cccc[nH+]2)CC1 ZINC000841656527 736747559 /nfs/dbraw/zinc/74/75/59/736747559.db2.gz WAWCYOXNVUECGY-GFCCVEGCSA-N 1 2 262.357 1.350 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2CC)cc1 ZINC001051061230 736769143 /nfs/dbraw/zinc/76/91/43/736769143.db2.gz LJLGRZRPOCUANI-HNNXBMFYSA-N 1 2 272.348 1.118 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2CC)cc1 ZINC001051061230 736769145 /nfs/dbraw/zinc/76/91/45/736769145.db2.gz LJLGRZRPOCUANI-HNNXBMFYSA-N 1 2 272.348 1.118 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H](F)c2ccccc2)C1 ZINC001043979629 736769592 /nfs/dbraw/zinc/76/95/92/736769592.db2.gz CEGXMEQKXNLOMV-OAHLLOKOSA-N 1 2 274.339 1.863 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000704408362 736773287 /nfs/dbraw/zinc/77/32/87/736773287.db2.gz HVXZGMXIKCMPQC-PHIMTYICSA-N 1 2 278.190 1.208 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000704408362 736773296 /nfs/dbraw/zinc/77/32/96/736773296.db2.gz HVXZGMXIKCMPQC-PHIMTYICSA-N 1 2 278.190 1.208 20 30 CDEDLO Cc1cnc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@@H](C)C#N)o1 ZINC000960495592 736796441 /nfs/dbraw/zinc/79/64/41/736796441.db2.gz QWBFZWRVFKWSFC-WCQYABFASA-N 1 2 290.367 1.566 20 30 CDEDLO Cc1cnc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@@H](C)C#N)o1 ZINC000960495592 736796444 /nfs/dbraw/zinc/79/64/44/736796444.db2.gz QWBFZWRVFKWSFC-WCQYABFASA-N 1 2 290.367 1.566 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccn[nH]2)C1 ZINC001046162490 736806800 /nfs/dbraw/zinc/80/68/00/736806800.db2.gz JNVQVULYVKZFKO-GFCCVEGCSA-N 1 2 268.748 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccn[nH]2)C1 ZINC001046162490 736806805 /nfs/dbraw/zinc/80/68/05/736806805.db2.gz JNVQVULYVKZFKO-GFCCVEGCSA-N 1 2 268.748 1.356 20 30 CDEDLO COCc1noc([C@@H](C)O[NH+]=C(N)Cc2ccccc2)n1 ZINC000182912706 736831057 /nfs/dbraw/zinc/83/10/57/736831057.db2.gz QXBYEOHMNHYBJK-SNVBAGLBSA-N 1 2 290.323 1.809 20 30 CDEDLO C=C(C)CNC(=S)NCC[N@H+]1CCOC[C@H]1CC ZINC000871688245 736849531 /nfs/dbraw/zinc/84/95/31/736849531.db2.gz HJHZIZFBFJRJRS-GFCCVEGCSA-N 1 2 271.430 1.137 20 30 CDEDLO C=C(C)CNC(=S)NCC[N@@H+]1CCOC[C@H]1CC ZINC000871688245 736849534 /nfs/dbraw/zinc/84/95/34/736849534.db2.gz HJHZIZFBFJRJRS-GFCCVEGCSA-N 1 2 271.430 1.137 20 30 CDEDLO Cc1ccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1C#N ZINC000799560632 736858661 /nfs/dbraw/zinc/85/86/61/736858661.db2.gz MJLYKEKGIOTMCT-LBPRGKRZSA-N 1 2 268.320 1.882 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(C)noc2CC)C1 ZINC001044280119 736885513 /nfs/dbraw/zinc/88/55/13/736885513.db2.gz KPEPRUYORFOVKV-UHFFFAOYSA-N 1 2 275.352 1.325 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C)c(F)c2F)C1 ZINC001030994518 738942067 /nfs/dbraw/zinc/94/20/67/738942067.db2.gz HBEWVRALWOOLTM-UHFFFAOYSA-N 1 2 278.302 1.711 20 30 CDEDLO Cc1nn(C)c(Cl)c1C=NNc1cc(C)[nH+]c(N)n1 ZINC000872420021 736930562 /nfs/dbraw/zinc/93/05/62/736930562.db2.gz FJPQSWPQFMBKRD-UHFFFAOYSA-N 1 2 279.735 1.509 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(Cl)[nH]2)C1 ZINC001043800645 738943785 /nfs/dbraw/zinc/94/37/85/738943785.db2.gz XBLPECMLABJPKL-UHFFFAOYSA-N 1 2 265.744 1.448 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2cccs2)CC1 ZINC000394883963 736942177 /nfs/dbraw/zinc/94/21/77/736942177.db2.gz AERQRLRCTFNYRL-WAYWQWQTSA-N 1 2 260.362 1.539 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)CCn2ccccc2=O)n1 ZINC000789329806 736989154 /nfs/dbraw/zinc/98/91/54/736989154.db2.gz RXNZJAFBUBZJLK-UHFFFAOYSA-N 1 2 284.363 1.200 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)CCn2ccccc2=O)n1 ZINC000789329806 736989158 /nfs/dbraw/zinc/98/91/58/736989158.db2.gz RXNZJAFBUBZJLK-UHFFFAOYSA-N 1 2 284.363 1.200 20 30 CDEDLO NC(CCO)=[NH+]OCc1cc(-c2ccccc2)no1 ZINC000121329032 736992552 /nfs/dbraw/zinc/99/25/52/736992552.db2.gz KLXDNNFQZQYQQP-UHFFFAOYSA-N 1 2 261.281 1.513 20 30 CDEDLO C=C(Cl)CN1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000989482712 737016564 /nfs/dbraw/zinc/01/65/64/737016564.db2.gz GHRWQPHWCKWOBV-UHFFFAOYSA-N 1 2 296.802 1.249 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc(OCC#N)c1 ZINC000844949744 737018664 /nfs/dbraw/zinc/01/86/64/737018664.db2.gz VOKLLWBRAPCNLQ-ZDUSSCGKSA-N 1 2 289.335 1.174 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc(OCC#N)c1 ZINC000844949744 737018666 /nfs/dbraw/zinc/01/86/66/737018666.db2.gz VOKLLWBRAPCNLQ-ZDUSSCGKSA-N 1 2 289.335 1.174 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000874706552 737092568 /nfs/dbraw/zinc/09/25/68/737092568.db2.gz SAUDLSARMJDAGX-UKRRQHHQSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000874706552 737092570 /nfs/dbraw/zinc/09/25/70/737092570.db2.gz SAUDLSARMJDAGX-UKRRQHHQSA-N 1 2 268.401 1.816 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccccc1C)CO2 ZINC001053726414 737228548 /nfs/dbraw/zinc/22/85/48/737228548.db2.gz GWZMIARZSKKCSI-OAHLLOKOSA-N 1 2 298.386 1.591 20 30 CDEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)/C(C)=C\C)C2)CC1 ZINC001052008086 737234520 /nfs/dbraw/zinc/23/45/20/737234520.db2.gz CMAQWAZXKOVORV-STJUIISESA-N 1 2 289.423 1.194 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)nc1C1CCC1 ZINC001032484854 737363836 /nfs/dbraw/zinc/36/38/36/737363836.db2.gz PHLFZWQKZXQYDW-KBPBESRZSA-N 1 2 298.390 1.220 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)nc1C1CCC1 ZINC001032484854 737363844 /nfs/dbraw/zinc/36/38/44/737363844.db2.gz PHLFZWQKZXQYDW-KBPBESRZSA-N 1 2 298.390 1.220 20 30 CDEDLO C=C1CC(C)(C(=O)NC2C[NH+](CCOC3CCC3)C2)C1 ZINC001030924043 737384300 /nfs/dbraw/zinc/38/43/00/737384300.db2.gz HVOMRSCUVGQBEN-UHFFFAOYSA-N 1 2 278.396 1.712 20 30 CDEDLO FC(F)(F)[C@H]1C=C(NNc2ccnc[nH+]2)CCO1 ZINC000835000237 737390741 /nfs/dbraw/zinc/39/07/41/737390741.db2.gz CBNQEVPCHNREEO-MRVPVSSYSA-N 1 2 260.219 1.986 20 30 CDEDLO N#CCN[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000999684115 737390964 /nfs/dbraw/zinc/39/09/64/737390964.db2.gz RLKDAWQTJWYZKJ-LBPRGKRZSA-N 1 2 283.335 1.052 20 30 CDEDLO C=CCCONC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000856032480 737500788 /nfs/dbraw/zinc/50/07/88/737500788.db2.gz OVANADPVIOXYDN-UHFFFAOYSA-N 1 2 282.384 1.645 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1C(C)C ZINC000884079521 737538582 /nfs/dbraw/zinc/53/85/82/737538582.db2.gz SJTSGINOEHGTSY-NWDGAFQWSA-N 1 2 268.357 1.080 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(F)(F)C(F)F)C1 ZINC000923569083 737542218 /nfs/dbraw/zinc/54/22/18/737542218.db2.gz LWUGCUAKQXVZLV-MRVPVSSYSA-N 1 2 266.238 1.101 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(F)(F)C(F)F)C1 ZINC000923569083 737542220 /nfs/dbraw/zinc/54/22/20/737542220.db2.gz LWUGCUAKQXVZLV-MRVPVSSYSA-N 1 2 266.238 1.101 20 30 CDEDLO C#CCN(C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000812016365 737618699 /nfs/dbraw/zinc/61/86/99/737618699.db2.gz DPHVGCPSTOVGKG-UHFFFAOYSA-N 1 2 257.337 1.277 20 30 CDEDLO C=CCCC(=O)NC1(CNC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC001064702604 737644220 /nfs/dbraw/zinc/64/42/20/737644220.db2.gz LCFQQKYBZRDPDZ-UHFFFAOYSA-N 1 2 290.367 1.074 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000775178386 737662082 /nfs/dbraw/zinc/66/20/82/737662082.db2.gz JDKZTAOMGWOLQO-SNVBAGLBSA-N 1 2 276.292 1.820 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000775178386 737662086 /nfs/dbraw/zinc/66/20/86/737662086.db2.gz JDKZTAOMGWOLQO-SNVBAGLBSA-N 1 2 276.292 1.820 20 30 CDEDLO C#CC[N@H+](CC#CC)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000785697719 738976516 /nfs/dbraw/zinc/97/65/16/738976516.db2.gz DUGIYSROGSZBQD-UHFFFAOYSA-N 1 2 297.354 1.989 20 30 CDEDLO C#CC[N@@H+](CC#CC)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000785697719 738976538 /nfs/dbraw/zinc/97/65/38/738976538.db2.gz DUGIYSROGSZBQD-UHFFFAOYSA-N 1 2 297.354 1.989 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)CCO2 ZINC001038734295 737810460 /nfs/dbraw/zinc/81/04/60/737810460.db2.gz FXBVREFQRZISNG-HNNXBMFYSA-N 1 2 284.359 1.449 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)CCO2 ZINC001038734295 737810461 /nfs/dbraw/zinc/81/04/61/737810461.db2.gz FXBVREFQRZISNG-HNNXBMFYSA-N 1 2 284.359 1.449 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC13CC3)O2 ZINC001053670773 737866863 /nfs/dbraw/zinc/86/68/63/737866863.db2.gz VOEGPNWQSLNYAW-ZIAGYGMSSA-N 1 2 290.407 1.712 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](CCn2cnc(Br)n2)C1 ZINC000852318989 737868752 /nfs/dbraw/zinc/86/87/52/737868752.db2.gz DLSQFZDMMDNULS-JTQLQIEISA-N 1 2 298.188 1.666 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](CCn2cnc(Br)n2)C1 ZINC000852318989 737868755 /nfs/dbraw/zinc/86/87/55/737868755.db2.gz DLSQFZDMMDNULS-JTQLQIEISA-N 1 2 298.188 1.666 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccn(C)c2)C1 ZINC001007091701 737913596 /nfs/dbraw/zinc/91/35/96/737913596.db2.gz LEFPCVKVIYSVMV-CYBMUJFWSA-N 1 2 281.787 1.972 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccn(C)c2)C1 ZINC001007091701 737913602 /nfs/dbraw/zinc/91/36/02/737913602.db2.gz LEFPCVKVIYSVMV-CYBMUJFWSA-N 1 2 281.787 1.972 20 30 CDEDLO C[C@@H]1C[NH+]=C(NN=Cc2cc(Cl)c(F)cc2O)N1 ZINC000814896949 737922871 /nfs/dbraw/zinc/92/28/71/737922871.db2.gz BIGOQFPXTOGEPN-ZCFIWIBFSA-N 1 2 270.695 1.456 20 30 CDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C#CC(C)(C)C ZINC000837631717 737961808 /nfs/dbraw/zinc/96/18/08/737961808.db2.gz XKHUUBLSXXUEOD-UONOGXRCSA-N 1 2 278.396 1.358 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)SC ZINC001032359380 737987680 /nfs/dbraw/zinc/98/76/80/737987680.db2.gz UGROWDMTDJVUFO-SDDRHHMPSA-N 1 2 254.399 1.599 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)SC ZINC001032359380 737987684 /nfs/dbraw/zinc/98/76/84/737987684.db2.gz UGROWDMTDJVUFO-SDDRHHMPSA-N 1 2 254.399 1.599 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cn3ccc(C)cc3n2)C1 ZINC001043245256 738066323 /nfs/dbraw/zinc/06/63/23/738066323.db2.gz QTHXWVZOJGFZTH-UHFFFAOYSA-N 1 2 298.390 1.975 20 30 CDEDLO C=CCN(CCOC)C(=O)c1cccc2[nH+]ccn21 ZINC000791355594 738070107 /nfs/dbraw/zinc/07/01/07/738070107.db2.gz CTGJNZNXYHZOKO-UHFFFAOYSA-N 1 2 259.309 1.609 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(Cl)cn2CC)C1 ZINC001044303625 738078838 /nfs/dbraw/zinc/07/88/38/738078838.db2.gz YWLVMACMDWLHCW-UHFFFAOYSA-N 1 2 293.798 1.941 20 30 CDEDLO C#CCCN(CCOC)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000856392165 738090323 /nfs/dbraw/zinc/09/03/23/738090323.db2.gz INSXNRFJYUFGMH-ZDUSSCGKSA-N 1 2 263.341 1.333 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000874706553 738097966 /nfs/dbraw/zinc/09/79/66/738097966.db2.gz SAUDLSARMJDAGX-ZFWWWQNUSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000874706553 738097969 /nfs/dbraw/zinc/09/79/69/738097969.db2.gz SAUDLSARMJDAGX-ZFWWWQNUSA-N 1 2 268.401 1.816 20 30 CDEDLO CC(F)(F)C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001009846378 738116257 /nfs/dbraw/zinc/11/62/57/738116257.db2.gz CEGSVZZBAHSDJK-AWEZNQCLSA-N 1 2 292.329 1.884 20 30 CDEDLO CC(F)(F)C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001009846378 738116277 /nfs/dbraw/zinc/11/62/77/738116277.db2.gz CEGSVZZBAHSDJK-AWEZNQCLSA-N 1 2 292.329 1.884 20 30 CDEDLO C=C(CO)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000791328002 738155884 /nfs/dbraw/zinc/15/58/84/738155884.db2.gz XGBVSZYTHUCDRT-UHFFFAOYSA-N 1 2 275.352 1.237 20 30 CDEDLO CO[C@@H](C)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004358195 738282470 /nfs/dbraw/zinc/28/24/70/738282470.db2.gz NIBYPZJTUWTBNU-GXTWGEPZSA-N 1 2 279.384 1.248 20 30 CDEDLO CO[C@@H](C)C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004358195 738282474 /nfs/dbraw/zinc/28/24/74/738282474.db2.gz NIBYPZJTUWTBNU-GXTWGEPZSA-N 1 2 279.384 1.248 20 30 CDEDLO C=C(Br)C[NH+]1CCC([C@@H](O)C(=O)OC)CC1 ZINC000135349600 738295472 /nfs/dbraw/zinc/29/54/72/738295472.db2.gz HYHDQSOIQHGQBA-SNVBAGLBSA-N 1 2 292.173 1.141 20 30 CDEDLO C#CC1(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCCC1 ZINC000883274149 738319209 /nfs/dbraw/zinc/31/92/09/738319209.db2.gz AGQOPHGYAJCZIL-UHFFFAOYSA-N 1 2 293.411 1.342 20 30 CDEDLO C#CC1(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CCCC1 ZINC000883274149 738319213 /nfs/dbraw/zinc/31/92/13/738319213.db2.gz AGQOPHGYAJCZIL-UHFFFAOYSA-N 1 2 293.411 1.342 20 30 CDEDLO O=C(C#CC1CC1)N1CC[C@@H]2OCC[N@@H+](CCCF)[C@H]2C1 ZINC001074235224 738384445 /nfs/dbraw/zinc/38/44/45/738384445.db2.gz DSOSLNBIXATBSL-GJZGRUSLSA-N 1 2 294.370 1.061 20 30 CDEDLO O=C(C#CC1CC1)N1CC[C@@H]2OCC[N@H+](CCCF)[C@H]2C1 ZINC001074235224 738384450 /nfs/dbraw/zinc/38/44/50/738384450.db2.gz DSOSLNBIXATBSL-GJZGRUSLSA-N 1 2 294.370 1.061 20 30 CDEDLO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C(F)F)C2)ccc1F ZINC001009806387 738384694 /nfs/dbraw/zinc/38/46/94/738384694.db2.gz BIKSNZFSKXQWDG-LLVKDONJSA-N 1 2 297.280 1.653 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(F)F)C2)ccc1F ZINC001009806387 738384698 /nfs/dbraw/zinc/38/46/98/738384698.db2.gz BIKSNZFSKXQWDG-LLVKDONJSA-N 1 2 297.280 1.653 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@H]3OCC)cc2C1 ZINC001054257425 738971131 /nfs/dbraw/zinc/97/11/31/738971131.db2.gz ILEUNSWLVBLXJP-DLBZAZTESA-N 1 2 298.386 1.677 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@H]3OCC)cc2C1 ZINC001054257425 738971145 /nfs/dbraw/zinc/97/11/45/738971145.db2.gz ILEUNSWLVBLXJP-DLBZAZTESA-N 1 2 298.386 1.677 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccccc3)C2)C1 ZINC000972230028 738991240 /nfs/dbraw/zinc/99/12/40/738991240.db2.gz GLKQKQFNUZCPON-KRWDZBQOSA-N 1 2 284.359 1.237 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccccc3)C2)C1 ZINC000972230028 738991242 /nfs/dbraw/zinc/99/12/42/738991242.db2.gz GLKQKQFNUZCPON-KRWDZBQOSA-N 1 2 284.359 1.237 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccoc2Cl)C1 ZINC001035348806 738994973 /nfs/dbraw/zinc/99/49/73/738994973.db2.gz BOXNILSYIKMTCN-LLVKDONJSA-N 1 2 298.770 1.940 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccoc2Cl)C1 ZINC001035348806 738994980 /nfs/dbraw/zinc/99/49/80/738994980.db2.gz BOXNILSYIKMTCN-LLVKDONJSA-N 1 2 298.770 1.940 20 30 CDEDLO C=C(C)C[N@@H+](C)CN1Cc2ccc(C(=O)OC)cc2C1=O ZINC000776764723 739019149 /nfs/dbraw/zinc/01/91/49/739019149.db2.gz SELPATBHJIHKOG-UHFFFAOYSA-N 1 2 288.347 1.894 20 30 CDEDLO C=C(C)C[N@H+](C)CN1Cc2ccc(C(=O)OC)cc2C1=O ZINC000776764723 739019153 /nfs/dbraw/zinc/01/91/53/739019153.db2.gz SELPATBHJIHKOG-UHFFFAOYSA-N 1 2 288.347 1.894 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001038273562 739045119 /nfs/dbraw/zinc/04/51/19/739045119.db2.gz REFBDJSRVLUMSM-LXTVHRRPSA-N 1 2 258.365 1.412 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001038273562 739045127 /nfs/dbraw/zinc/04/51/27/739045127.db2.gz REFBDJSRVLUMSM-LXTVHRRPSA-N 1 2 258.365 1.412 20 30 CDEDLO N#CCC[NH+]1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000799172328 739058574 /nfs/dbraw/zinc/05/85/74/739058574.db2.gz JMSRQPVYMCEFCY-UHFFFAOYSA-N 1 2 263.263 1.291 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nc(C)c1 ZINC001017587926 739064772 /nfs/dbraw/zinc/06/47/72/739064772.db2.gz JWTHBORSKONYNG-IYBDPMFKSA-N 1 2 283.375 1.620 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nc(C)c1 ZINC001017587926 739064775 /nfs/dbraw/zinc/06/47/75/739064775.db2.gz JWTHBORSKONYNG-IYBDPMFKSA-N 1 2 283.375 1.620 20 30 CDEDLO COc1c(C)c[nH+]c(CNC(=O)c2cccc(C#N)n2)c1C ZINC000810272464 739112259 /nfs/dbraw/zinc/11/22/59/739112259.db2.gz MADWXYWMKVUWFL-UHFFFAOYSA-N 1 2 296.330 1.904 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C(C#N)(CC)CC ZINC000874709509 1165658789 /nfs/dbraw/zinc/65/87/89/1165658789.db2.gz FDBQXHZFVCNPDV-CYBMUJFWSA-N 1 2 281.400 1.543 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C(C#N)(CC)CC ZINC000874709509 1165658794 /nfs/dbraw/zinc/65/87/94/1165658794.db2.gz FDBQXHZFVCNPDV-CYBMUJFWSA-N 1 2 281.400 1.543 20 30 CDEDLO C#CC[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C(=O)OC ZINC000877584322 1166063792 /nfs/dbraw/zinc/06/37/92/1166063792.db2.gz ZXMSJDAHCRWFBB-CRWXNKLISA-N 1 2 277.364 1.489 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCC(F)(F)[C@@H](N)C2)c1 ZINC001206656009 1167181171 /nfs/dbraw/zinc/18/11/71/1167181171.db2.gz KBGSQVAAKZXJGD-LBPRGKRZSA-N 1 2 251.280 1.727 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCC(F)(F)[C@@H](N)C2)c1 ZINC001206656009 1167181176 /nfs/dbraw/zinc/18/11/76/1167181176.db2.gz KBGSQVAAKZXJGD-LBPRGKRZSA-N 1 2 251.280 1.727 20 30 CDEDLO COC(=O)[C@H](CS)[NH2+]C1CCC(CC#N)CC1 ZINC001173328349 912426829 /nfs/dbraw/zinc/42/68/29/912426829.db2.gz XLHJSDNMAOXHMD-ILDUYXDCSA-N 1 2 256.371 1.520 20 30 CDEDLO C=C(Cl)CN1CC(NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001030672711 912438612 /nfs/dbraw/zinc/43/86/12/912438612.db2.gz LCJCYZNKNZJDDP-UHFFFAOYSA-N 1 2 290.754 1.501 20 30 CDEDLO CCC[C@](C)(C#N)[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173749858 912787501 /nfs/dbraw/zinc/78/75/01/912787501.db2.gz XCILGZJAWDLLMX-JHJVBQTASA-N 1 2 262.361 1.829 20 30 CDEDLO C#Cc1cc(Nc2ccc3c(c2)OCCO3)cc[nH+]1 ZINC001173875611 912862037 /nfs/dbraw/zinc/86/20/37/912862037.db2.gz RJXCRRQSSIOYIO-UHFFFAOYSA-N 1 2 252.273 2.000 20 30 CDEDLO CNc1ccc(Nc2c(C#N)cnc3c(C#N)cnn32)c[nH+]1 ZINC001203450099 912920025 /nfs/dbraw/zinc/92/00/25/912920025.db2.gz TWENLOFFCCCPLV-UHFFFAOYSA-N 1 2 290.290 1.653 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001031119172 913657854 /nfs/dbraw/zinc/65/78/54/913657854.db2.gz IURDFDCGUHIMTR-LBPRGKRZSA-N 1 2 274.339 1.753 20 30 CDEDLO C=C(C)C(=O)NCCCNc1cc[nH+]c(OCCOC)c1 ZINC001167670732 897456795 /nfs/dbraw/zinc/45/67/95/897456795.db2.gz GCILUTGQUZYUHZ-UHFFFAOYSA-N 1 2 293.367 1.601 20 30 CDEDLO Cc1nc(NC[C@H](C)N(C)C(=O)C#CC2CC2)cc[nH+]1 ZINC001104552973 898564579 /nfs/dbraw/zinc/56/45/79/898564579.db2.gz AZWSFYLENGZCHY-NSHDSACASA-N 1 2 272.352 1.457 20 30 CDEDLO N#Cc1ccccc1OCCCNC(=O)CCn1cc[nH+]c1 ZINC001176883946 914334006 /nfs/dbraw/zinc/33/40/06/914334006.db2.gz SEPGVXPKRNEIAS-UHFFFAOYSA-N 1 2 298.346 1.730 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCC=C)C[C@H]21 ZINC001176954317 914396874 /nfs/dbraw/zinc/39/68/74/914396874.db2.gz ANCDEWHXXVSFJT-HUUCEWRRSA-N 1 2 276.380 1.278 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCC=C)C[C@H]21 ZINC001176954317 914396887 /nfs/dbraw/zinc/39/68/87/914396887.db2.gz ANCDEWHXXVSFJT-HUUCEWRRSA-N 1 2 276.380 1.278 20 30 CDEDLO C#CCCCCC(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001125951775 900232020 /nfs/dbraw/zinc/23/20/20/900232020.db2.gz VRDKGOJUQJEKAD-NSHDSACASA-N 1 2 278.356 1.338 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cccn2)C1 ZINC001006746283 900727369 /nfs/dbraw/zinc/72/73/69/900727369.db2.gz RJSCKPWNULZUHT-GFCCVEGCSA-N 1 2 282.775 1.216 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2cccn2)C1 ZINC001006746283 900727377 /nfs/dbraw/zinc/72/73/77/900727377.db2.gz RJSCKPWNULZUHT-GFCCVEGCSA-N 1 2 282.775 1.216 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3c(c2)N(C)CC3)C1 ZINC001031334309 914530724 /nfs/dbraw/zinc/53/07/24/914530724.db2.gz PPVBIRKSEYHALU-UHFFFAOYSA-N 1 2 283.375 1.116 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCc1[nH+]ccn1C ZINC001177503146 914722992 /nfs/dbraw/zinc/72/29/92/914722992.db2.gz HJORMIGZQGWNEK-AAEUAGOBSA-N 1 2 263.341 1.060 20 30 CDEDLO N#Cc1ccnc(N(C(N)=[NH2+])c2ccc(F)cc2)n1 ZINC001167990297 905144192 /nfs/dbraw/zinc/14/41/92/905144192.db2.gz QJBVYBDLKBPGQT-UHFFFAOYSA-N 1 2 256.244 1.519 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC([N@H+](C)Cc2nncs2)CC1 ZINC000985331990 906433697 /nfs/dbraw/zinc/43/36/97/906433697.db2.gz JOLMCVLNAPDUCP-JTQLQIEISA-N 1 2 293.396 1.121 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC([N@@H+](C)Cc2nncs2)CC1 ZINC000985331990 906433712 /nfs/dbraw/zinc/43/37/12/906433712.db2.gz JOLMCVLNAPDUCP-JTQLQIEISA-N 1 2 293.396 1.121 20 30 CDEDLO N#CC1(c2cc[nH+]c(NC[C@H]3COCCO3)c2)CC1 ZINC001168265400 908138998 /nfs/dbraw/zinc/13/89/98/908138998.db2.gz LRROZKQSBWLUST-LBPRGKRZSA-N 1 2 259.309 1.464 20 30 CDEDLO C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CCN1CC#N ZINC001088662843 908753641 /nfs/dbraw/zinc/75/36/41/908753641.db2.gz BMSBFAIPOILHAJ-PWSUYJOCSA-N 1 2 283.335 1.279 20 30 CDEDLO C=CCN1CCCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000989496755 908917164 /nfs/dbraw/zinc/91/71/64/908917164.db2.gz YZKXEPLHVKZYRL-UHFFFAOYSA-N 1 2 288.395 1.482 20 30 CDEDLO C=CC[N@H+]1CCCN(C(=O)c2cnccc2N(C)C)CC1 ZINC000989496755 908917180 /nfs/dbraw/zinc/91/71/80/908917180.db2.gz YZKXEPLHVKZYRL-UHFFFAOYSA-N 1 2 288.395 1.482 20 30 CDEDLO C=CC[N@@H+]1CCCN(C(=O)c2cnccc2N(C)C)CC1 ZINC000989496755 908917194 /nfs/dbraw/zinc/91/71/94/908917194.db2.gz YZKXEPLHVKZYRL-UHFFFAOYSA-N 1 2 288.395 1.482 20 30 CDEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1nccs1 ZINC001273015501 921550693 /nfs/dbraw/zinc/55/06/93/921550693.db2.gz WVVVIVGKXZWSPQ-HNNXBMFYSA-N 1 2 289.404 1.733 20 30 CDEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1nccs1 ZINC001273015501 921550697 /nfs/dbraw/zinc/55/06/97/921550697.db2.gz WVVVIVGKXZWSPQ-HNNXBMFYSA-N 1 2 289.404 1.733 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)cc(Cl)c2)[C@@H](O)C1 ZINC001083643556 911110650 /nfs/dbraw/zinc/11/06/50/911110650.db2.gz OGEHETRYRMEUDW-KGLIPLIRSA-N 1 2 292.766 1.057 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)cc(Cl)c2)[C@@H](O)C1 ZINC001083643556 911110662 /nfs/dbraw/zinc/11/06/62/911110662.db2.gz OGEHETRYRMEUDW-KGLIPLIRSA-N 1 2 292.766 1.057 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001077442892 911283482 /nfs/dbraw/zinc/28/34/82/911283482.db2.gz DUZBXMVCMZMAQZ-IAGOWNOFSA-N 1 2 298.386 1.281 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001077442892 911283494 /nfs/dbraw/zinc/28/34/94/911283494.db2.gz DUZBXMVCMZMAQZ-IAGOWNOFSA-N 1 2 298.386 1.281 20 30 CDEDLO C=C[C@H]1C[C@@]1([NH2+]C1C[C@H]2CC[C@@H](C1)O2)C(=O)OCC ZINC001172224521 911458294 /nfs/dbraw/zinc/45/82/94/911458294.db2.gz RKBMRIPOMNEFPX-JXODSGKVSA-N 1 2 265.353 1.794 20 30 CDEDLO C[C@@H](Cc1ccc(C#N)cc1)N1CC(N2CC[NH+](C)CC2)C1 ZINC001172311334 911554303 /nfs/dbraw/zinc/55/43/03/911554303.db2.gz BSIIVMHYIMAKLQ-HNNXBMFYSA-N 1 2 298.434 1.421 20 30 CDEDLO C[C@H](CCCC#N)[NH2+][C@H]1Oc2ccc(CCO)cc2O1 ZINC001172490658 911727016 /nfs/dbraw/zinc/72/70/16/911727016.db2.gz JUJKSFBTKYSWFU-ABAIWWIYSA-N 1 2 276.336 1.948 20 30 CDEDLO C=CC(C)(C)CC(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001105980151 911816726 /nfs/dbraw/zinc/81/67/26/911816726.db2.gz LQGOESUYYBSEBL-GFCCVEGCSA-N 1 2 292.383 1.276 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2(c3cc(C)ccn3)CC2)CC1 ZINC001178068843 915140566 /nfs/dbraw/zinc/14/05/66/915140566.db2.gz QCERZRCEMFKSCF-UHFFFAOYSA-N 1 2 285.391 1.752 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]2OC)C1 ZINC001031793308 915887328 /nfs/dbraw/zinc/88/73/28/915887328.db2.gz MUMJEPLLEZAOCC-QWHCGFSZSA-N 1 2 286.803 1.602 20 30 CDEDLO C=CCCCC(=O)N(C)C[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001124695023 936331634 /nfs/dbraw/zinc/33/16/34/936331634.db2.gz URFQFSCVTSAUCI-CYBMUJFWSA-N 1 2 292.383 1.373 20 30 CDEDLO C[NH+]1CC(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC001181205345 916903301 /nfs/dbraw/zinc/90/33/01/916903301.db2.gz BOXUGVDNUCHXGA-UHFFFAOYSA-N 1 2 273.336 1.146 20 30 CDEDLO COc1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c(C#N)c1 ZINC001137704517 936393108 /nfs/dbraw/zinc/39/31/08/936393108.db2.gz JOBFQISNJYKADZ-OAHLLOKOSA-N 1 2 297.362 1.995 20 30 CDEDLO COc1ccc(C[N@H+]2CCC[C@@H](n3cncn3)C2)c(C#N)c1 ZINC001137704517 936393109 /nfs/dbraw/zinc/39/31/09/936393109.db2.gz JOBFQISNJYKADZ-OAHLLOKOSA-N 1 2 297.362 1.995 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001181510804 917114580 /nfs/dbraw/zinc/11/45/80/917114580.db2.gz FPDUEEINCGNNBP-SNVBAGLBSA-N 1 2 266.370 1.195 20 30 CDEDLO CC(C)c1noc([C@H](C)[NH2+]CCNC(=O)[C@@H](C)C#N)n1 ZINC001124908989 917758299 /nfs/dbraw/zinc/75/82/99/917758299.db2.gz XHAYTVXOBITBDA-UWVGGRQHSA-N 1 2 279.344 1.119 20 30 CDEDLO COc1cccnc1C[NH2+]Cc1cccc(C#N)n1 ZINC001182388888 917843190 /nfs/dbraw/zinc/84/31/90/917843190.db2.gz WDYAOKRMDBOTPP-UHFFFAOYSA-N 1 2 254.293 1.647 20 30 CDEDLO C=CCOCCCC(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001125255929 918073999 /nfs/dbraw/zinc/07/39/99/918073999.db2.gz OXWIWRFHKBVXHB-LLVKDONJSA-N 1 2 296.371 1.128 20 30 CDEDLO CC(C)[N@@H+]1CC[C@H]1C(=O)NCc1ncc(C#N)s1 ZINC001182869146 918187249 /nfs/dbraw/zinc/18/72/49/918187249.db2.gz JNXJWIMZLZCYGE-JTQLQIEISA-N 1 2 264.354 1.114 20 30 CDEDLO CC(C)[N@H+]1CC[C@H]1C(=O)NCc1ncc(C#N)s1 ZINC001182869146 918187254 /nfs/dbraw/zinc/18/72/54/918187254.db2.gz JNXJWIMZLZCYGE-JTQLQIEISA-N 1 2 264.354 1.114 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)Nc1ncccc1C#N ZINC001097975662 936485394 /nfs/dbraw/zinc/48/53/94/936485394.db2.gz YRVDRYCUAOLMIC-JTQLQIEISA-N 1 2 298.350 1.144 20 30 CDEDLO C=CCO[C@@H](C)C(=O)NC/C=C\CNc1cc[nH+]c(C)n1 ZINC001107236241 918292116 /nfs/dbraw/zinc/29/21/16/918292116.db2.gz QKBATKCOZDJSCI-FJOGCWAESA-N 1 2 290.367 1.460 20 30 CDEDLO Cn1c[nH+]c(CCNC(=O)[C@H](C#N)Cc2ccc(O)cc2)c1 ZINC001183616002 918591579 /nfs/dbraw/zinc/59/15/79/918591579.db2.gz KAPALOHEMWIITI-ZDUSSCGKSA-N 1 2 298.346 1.167 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cccs2)C1 ZINC001107707207 918653353 /nfs/dbraw/zinc/65/33/53/918653353.db2.gz DKYBXSMDLDTICQ-CQSZACIVSA-N 1 2 280.393 1.755 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cccs2)C1 ZINC001107707207 918653362 /nfs/dbraw/zinc/65/33/62/918653362.db2.gz DKYBXSMDLDTICQ-CQSZACIVSA-N 1 2 280.393 1.755 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@@H](C)C2)cc1OC ZINC001138343258 936522747 /nfs/dbraw/zinc/52/27/47/936522747.db2.gz HWHJDBYRGORPIG-ZDUSSCGKSA-N 1 2 275.348 1.928 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCO[C@@H](C)C2)cc1OC ZINC001138343258 936522750 /nfs/dbraw/zinc/52/27/50/936522750.db2.gz HWHJDBYRGORPIG-ZDUSSCGKSA-N 1 2 275.348 1.928 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCCOC)C1 ZINC001107798707 918799717 /nfs/dbraw/zinc/79/97/17/918799717.db2.gz SVJVZUSYEXILPW-MRXNPFEDSA-N 1 2 296.411 1.034 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCCCOC)C1 ZINC001107798707 918799726 /nfs/dbraw/zinc/79/97/26/918799726.db2.gz SVJVZUSYEXILPW-MRXNPFEDSA-N 1 2 296.411 1.034 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)CSC)C1 ZINC001107816823 918822738 /nfs/dbraw/zinc/82/27/38/918822738.db2.gz IJBCGKBYCCJISR-ZFWWWQNUSA-N 1 2 298.452 1.216 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)CSC)C1 ZINC001107816823 918822749 /nfs/dbraw/zinc/82/27/49/918822749.db2.gz IJBCGKBYCCJISR-ZFWWWQNUSA-N 1 2 298.452 1.216 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)cc2Cl)C1 ZINC001077714538 918834512 /nfs/dbraw/zinc/83/45/12/918834512.db2.gz SYJIDEPAMNABQN-ZIAGYGMSSA-N 1 2 292.766 1.057 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)cc2Cl)C1 ZINC001077714538 918834519 /nfs/dbraw/zinc/83/45/19/918834519.db2.gz SYJIDEPAMNABQN-ZIAGYGMSSA-N 1 2 292.766 1.057 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2C[C@@H](OC)[C@@H](F)C2)cc1 ZINC001138556334 936545935 /nfs/dbraw/zinc/54/59/35/936545935.db2.gz PUDYBLGRSBALPZ-LSDHHAIUSA-N 1 2 263.312 1.867 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2C[C@@H](OC)[C@@H](F)C2)cc1 ZINC001138556334 936545937 /nfs/dbraw/zinc/54/59/37/936545937.db2.gz PUDYBLGRSBALPZ-LSDHHAIUSA-N 1 2 263.312 1.867 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cncn2C)CC1 ZINC001000910101 936542927 /nfs/dbraw/zinc/54/29/27/936542927.db2.gz FSEPPOGANWUUQY-UHFFFAOYSA-N 1 2 294.786 1.535 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cncn2C)CC1 ZINC001000910101 936542929 /nfs/dbraw/zinc/54/29/29/936542929.db2.gz FSEPPOGANWUUQY-UHFFFAOYSA-N 1 2 294.786 1.535 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)SC)C1 ZINC001107875378 918962526 /nfs/dbraw/zinc/96/25/26/918962526.db2.gz XSXHGTBDVIKKDF-ZFWWWQNUSA-N 1 2 298.452 1.358 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)SC)C1 ZINC001107875378 918962539 /nfs/dbraw/zinc/96/25/39/918962539.db2.gz XSXHGTBDVIKKDF-ZFWWWQNUSA-N 1 2 298.452 1.358 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cncn2Cc2ccccc2)CC1 ZINC001138564983 936547283 /nfs/dbraw/zinc/54/72/83/936547283.db2.gz UWQXWPBXUHINNA-UHFFFAOYSA-N 1 2 294.402 1.682 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001107912870 919036047 /nfs/dbraw/zinc/03/60/47/919036047.db2.gz OKOBVIZTCPALCN-COPLHBTASA-N 1 2 288.338 1.281 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001107912870 919036058 /nfs/dbraw/zinc/03/60/58/919036058.db2.gz OKOBVIZTCPALCN-COPLHBTASA-N 1 2 288.338 1.281 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccsc2Cl)C1 ZINC001077782205 919042997 /nfs/dbraw/zinc/04/29/97/919042997.db2.gz AAMOJDFUTQYXLD-GHMZBOCLSA-N 1 2 298.795 1.200 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccsc2Cl)C1 ZINC001077782205 919043010 /nfs/dbraw/zinc/04/30/10/919043010.db2.gz AAMOJDFUTQYXLD-GHMZBOCLSA-N 1 2 298.795 1.200 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](OCC)C(C)C)C1 ZINC001107938263 919085989 /nfs/dbraw/zinc/08/59/89/919085989.db2.gz MMGKJSBXFTXLMQ-GOEBONIOSA-N 1 2 298.427 1.441 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](OCC)C(C)C)C1 ZINC001107938263 919086001 /nfs/dbraw/zinc/08/60/01/919086001.db2.gz MMGKJSBXFTXLMQ-GOEBONIOSA-N 1 2 298.427 1.441 20 30 CDEDLO Cn1ncc(C#N)c1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212349897 919112830 /nfs/dbraw/zinc/11/28/30/919112830.db2.gz KDHKMIPOFYNJEU-UHFFFAOYSA-N 1 2 284.323 1.267 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(F)c1 ZINC001032507088 919273779 /nfs/dbraw/zinc/27/37/79/919273779.db2.gz TZKRFTWHHGESQJ-KBPBESRZSA-N 1 2 272.323 1.666 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(F)c1 ZINC001032507088 919273799 /nfs/dbraw/zinc/27/37/99/919273799.db2.gz TZKRFTWHHGESQJ-KBPBESRZSA-N 1 2 272.323 1.666 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(CC)c1 ZINC001032522391 919335177 /nfs/dbraw/zinc/33/51/77/919335177.db2.gz CWHZRURAHVFZQW-GJZGRUSLSA-N 1 2 269.348 1.176 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(CC)c1 ZINC001032522391 919335193 /nfs/dbraw/zinc/33/51/93/919335193.db2.gz CWHZRURAHVFZQW-GJZGRUSLSA-N 1 2 269.348 1.176 20 30 CDEDLO CC#CCCCC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001185019389 919368968 /nfs/dbraw/zinc/36/89/68/919368968.db2.gz IAWQMCRZFJPJDR-GFCCVEGCSA-N 1 2 292.408 1.422 20 30 CDEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1nc(C)c[nH]1)CC2 ZINC001272908372 920021546 /nfs/dbraw/zinc/02/15/46/920021546.db2.gz SZGUEIUJZMLAOB-ZDUSSCGKSA-N 1 2 286.379 1.070 20 30 CDEDLO Cc1nc(N[C@@H]2C[C@H](C)N(C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001069089197 936633417 /nfs/dbraw/zinc/63/34/17/936633417.db2.gz BFOUWAABNVJQGP-SMDDNHRTSA-N 1 2 284.363 1.600 20 30 CDEDLO C=CCn1cc(C[N@H+]2CCC[C@]2(C)C(=O)OC)cn1 ZINC001139767996 936644863 /nfs/dbraw/zinc/64/48/63/936644863.db2.gz HIPNXIMWWFPNSU-CQSZACIVSA-N 1 2 263.341 1.597 20 30 CDEDLO C=CCn1cc(C[N@@H+]2CCC[C@]2(C)C(=O)OC)cn1 ZINC001139767996 936644864 /nfs/dbraw/zinc/64/48/64/936644864.db2.gz HIPNXIMWWFPNSU-CQSZACIVSA-N 1 2 263.341 1.597 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(C)cn2)CC1 ZINC001139843059 936651876 /nfs/dbraw/zinc/65/18/76/936651876.db2.gz HZTJYJHMYQEJBD-UHFFFAOYSA-N 1 2 273.336 1.669 20 30 CDEDLO Cn1c[nH+]c2c1CCN(Cc1cc(F)cc(C#N)c1)C2 ZINC001139876287 936655157 /nfs/dbraw/zinc/65/51/57/936655157.db2.gz PZPOTLXSSCHCLV-UHFFFAOYSA-N 1 2 270.311 1.989 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2cc(OC)ns2)CC[C@H]1C ZINC001071519158 936683942 /nfs/dbraw/zinc/68/39/42/936683942.db2.gz VYFSFVDRHHINTA-GHMZBOCLSA-N 1 2 293.392 1.368 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2cc(OC)ns2)CC[C@H]1C ZINC001071519158 936683944 /nfs/dbraw/zinc/68/39/44/936683944.db2.gz VYFSFVDRHHINTA-GHMZBOCLSA-N 1 2 293.392 1.368 20 30 CDEDLO N#Cc1n[nH]cc1NC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190075134 921830973 /nfs/dbraw/zinc/83/09/73/921830973.db2.gz ODNHPGMVDYQJAH-UHFFFAOYSA-N 1 2 278.275 1.719 20 30 CDEDLO CN1CCN(C(=[NH2+])Nc2nc3ccccc3cc2C#N)CC1 ZINC001168737247 921898643 /nfs/dbraw/zinc/89/86/43/921898643.db2.gz YCZYLPGYROEPRT-UHFFFAOYSA-N 1 2 294.362 1.701 20 30 CDEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CC(=C)Cl)C[C@H]21 ZINC001190441562 922014650 /nfs/dbraw/zinc/01/46/50/922014650.db2.gz WESMVRLBMSAKRA-HZSPNIEDSA-N 1 2 298.814 1.863 20 30 CDEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC(=C)Cl)C[C@H]21 ZINC001190441562 922014658 /nfs/dbraw/zinc/01/46/58/922014658.db2.gz WESMVRLBMSAKRA-HZSPNIEDSA-N 1 2 298.814 1.863 20 30 CDEDLO CCCCc1[nH]c(CN2CCC(=O)[C@H](C#N)C2)c[nH+]1 ZINC001141071887 936807639 /nfs/dbraw/zinc/80/76/39/936807639.db2.gz GDORRRIIDUDNCU-LLVKDONJSA-N 1 2 260.341 1.667 20 30 CDEDLO CCCCc1[nH]cc(CN2CCC(=O)[C@H](C#N)C2)[nH+]1 ZINC001141071887 936807642 /nfs/dbraw/zinc/80/76/42/936807642.db2.gz GDORRRIIDUDNCU-LLVKDONJSA-N 1 2 260.341 1.667 20 30 CDEDLO Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C)C#N)c(C)c(C)[nH+]1 ZINC001062456964 923324569 /nfs/dbraw/zinc/32/45/69/923324569.db2.gz GBIHQCUULAUBIF-IIMNLJJBSA-N 1 2 299.378 1.351 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2sc(CC)nc2C)C1 ZINC000923586545 923962336 /nfs/dbraw/zinc/96/23/36/923962336.db2.gz XCPZXXZFZCTIDT-GFCCVEGCSA-N 1 2 291.420 1.841 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2sc(CC)nc2C)C1 ZINC000923586545 923962345 /nfs/dbraw/zinc/96/23/45/923962345.db2.gz XCPZXXZFZCTIDT-GFCCVEGCSA-N 1 2 291.420 1.841 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC001079460898 924312363 /nfs/dbraw/zinc/31/23/63/924312363.db2.gz JARILZZMXXVBIL-PRHODGIISA-N 1 2 282.775 1.521 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC001079460898 924312368 /nfs/dbraw/zinc/31/23/68/924312368.db2.gz JARILZZMXXVBIL-PRHODGIISA-N 1 2 282.775 1.521 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)nc2C)C1 ZINC001079489976 924338425 /nfs/dbraw/zinc/33/84/25/924338425.db2.gz VYROIMGYEQIYAW-NOZJJQNGSA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)nc2C)C1 ZINC001079489976 924338433 /nfs/dbraw/zinc/33/84/33/924338433.db2.gz VYROIMGYEQIYAW-NOZJJQNGSA-N 1 2 296.802 1.531 20 30 CDEDLO N#CCSCC(=O)N1CCC[N@@H+](C/C=C/Cl)CC1 ZINC001194918892 924393895 /nfs/dbraw/zinc/39/38/95/924393895.db2.gz DYFFIHGFIPCIAA-HNQUOIGGSA-N 1 2 287.816 1.530 20 30 CDEDLO N#CCSCC(=O)N1CCC[N@H+](C/C=C/Cl)CC1 ZINC001194918892 924393903 /nfs/dbraw/zinc/39/39/03/924393903.db2.gz DYFFIHGFIPCIAA-HNQUOIGGSA-N 1 2 287.816 1.530 20 30 CDEDLO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2snnc2C2CC2)C1 ZINC001079898913 924442132 /nfs/dbraw/zinc/44/21/32/924442132.db2.gz BJSOFDONDYYLMJ-MWLCHTKSSA-N 1 2 290.392 1.099 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2snnc2C2CC2)C1 ZINC001079898913 924442136 /nfs/dbraw/zinc/44/21/36/924442136.db2.gz BJSOFDONDYYLMJ-MWLCHTKSSA-N 1 2 290.392 1.099 20 30 CDEDLO C=CCCC(=O)N1CCC[N@@H+](CC(=O)NCCC)CC1 ZINC001195192290 924490682 /nfs/dbraw/zinc/49/06/82/924490682.db2.gz WFKYBEJHSTVHJE-UHFFFAOYSA-N 1 2 281.400 1.013 20 30 CDEDLO C=CCCC(=O)N1CCC[N@H+](CC(=O)NCCC)CC1 ZINC001195192290 924490687 /nfs/dbraw/zinc/49/06/87/924490687.db2.gz WFKYBEJHSTVHJE-UHFFFAOYSA-N 1 2 281.400 1.013 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001195554436 924639744 /nfs/dbraw/zinc/63/97/44/924639744.db2.gz IHUBJVNMDSIDPB-YVAWVJMJSA-N 1 2 286.803 1.503 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001195554436 924639750 /nfs/dbraw/zinc/63/97/50/924639750.db2.gz IHUBJVNMDSIDPB-YVAWVJMJSA-N 1 2 286.803 1.503 20 30 CDEDLO N#Cc1cccnc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001196553492 924936899 /nfs/dbraw/zinc/93/68/99/924936899.db2.gz PLOYZISRTNYFCR-GFCCVEGCSA-N 1 2 281.319 1.696 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CCCCCC)C1 ZINC001197081698 925050333 /nfs/dbraw/zinc/05/03/33/925050333.db2.gz AABMCQDZWQXQMV-RBSFLKMASA-N 1 2 280.412 1.387 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CCCCCC)C1 ZINC001197081698 925050347 /nfs/dbraw/zinc/05/03/47/925050347.db2.gz AABMCQDZWQXQMV-RBSFLKMASA-N 1 2 280.412 1.387 20 30 CDEDLO C#CCOC[C@H](O)CNc1ccc([NH+]2CCCC2)cc1 ZINC001251819290 925448577 /nfs/dbraw/zinc/44/85/77/925448577.db2.gz MCMBMDUSWXPWPR-MRXNPFEDSA-N 1 2 274.364 1.709 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc[nH]3)[C@@H]2C1 ZINC001084843556 925455585 /nfs/dbraw/zinc/45/55/85/925455585.db2.gz HTAXLQWUIQHXKB-TZMCWYRMSA-N 1 2 293.798 1.842 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc[nH]3)[C@@H]2C1 ZINC001084843556 925455594 /nfs/dbraw/zinc/45/55/94/925455594.db2.gz HTAXLQWUIQHXKB-TZMCWYRMSA-N 1 2 293.798 1.842 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)CCCCC)C1 ZINC001198918436 925571975 /nfs/dbraw/zinc/57/19/75/925571975.db2.gz ZXCQTKSTCYIUQU-RBSFLKMASA-N 1 2 280.412 1.387 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)CCCCC)C1 ZINC001198918436 925571981 /nfs/dbraw/zinc/57/19/81/925571981.db2.gz ZXCQTKSTCYIUQU-RBSFLKMASA-N 1 2 280.412 1.387 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C)c(=O)[nH]2)CC1 ZINC001199264002 925661971 /nfs/dbraw/zinc/66/19/71/925661971.db2.gz XBSGKASDWQXFRJ-UHFFFAOYSA-N 1 2 261.325 1.039 20 30 CDEDLO CCn1c[nH+]cc1CN1CCN(C2CC2)[C@H](C#N)C1 ZINC000841842609 937017662 /nfs/dbraw/zinc/01/76/62/937017662.db2.gz ZMJSTRGNRMVJSN-CYBMUJFWSA-N 1 2 259.357 1.075 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2occc2C)C1 ZINC001108199231 925777851 /nfs/dbraw/zinc/77/78/51/925777851.db2.gz HFYWYYYBCDVJGZ-MRXNPFEDSA-N 1 2 292.379 1.524 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2occc2C)C1 ZINC001108199231 925777857 /nfs/dbraw/zinc/77/78/57/925777857.db2.gz HFYWYYYBCDVJGZ-MRXNPFEDSA-N 1 2 292.379 1.524 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N(C)C[C@H]3CCN3CC#N)ccn12 ZINC001085596915 926200046 /nfs/dbraw/zinc/20/00/46/926200046.db2.gz LYCZKCHZZHZPHU-CQSZACIVSA-N 1 2 297.362 1.313 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(F)cncc1F ZINC001085621141 926221160 /nfs/dbraw/zinc/22/11/60/926221160.db2.gz IDPYTVLOECYAFN-NSHDSACASA-N 1 2 293.317 1.529 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(F)cncc1F ZINC001085621141 926221171 /nfs/dbraw/zinc/22/11/71/926221171.db2.gz IDPYTVLOECYAFN-NSHDSACASA-N 1 2 293.317 1.529 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1onc2c1CCCC2 ZINC001085720506 926321246 /nfs/dbraw/zinc/32/12/46/926321246.db2.gz WYWBYQQREQJPFG-LBPRGKRZSA-N 1 2 287.363 1.333 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1onc2c1CCCC2 ZINC001085720506 926321257 /nfs/dbraw/zinc/32/12/57/926321257.db2.gz WYWBYQQREQJPFG-LBPRGKRZSA-N 1 2 287.363 1.333 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C)cc1F ZINC001085837791 926435182 /nfs/dbraw/zinc/43/51/82/926435182.db2.gz RBDKMPUFSQJPQJ-ZDUSSCGKSA-N 1 2 274.339 1.914 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C)cc1F ZINC001085837791 926435185 /nfs/dbraw/zinc/43/51/85/926435185.db2.gz RBDKMPUFSQJPQJ-ZDUSSCGKSA-N 1 2 274.339 1.914 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(F)c(F)c(F)c1 ZINC001085834258 926438391 /nfs/dbraw/zinc/43/83/91/926438391.db2.gz GJEATWNRZKGNCS-LLVKDONJSA-N 1 2 296.292 1.883 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(F)c(F)c(F)c1 ZINC001085834258 926438394 /nfs/dbraw/zinc/43/83/94/926438394.db2.gz GJEATWNRZKGNCS-LLVKDONJSA-N 1 2 296.292 1.883 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1OCC ZINC001085953744 926542084 /nfs/dbraw/zinc/54/20/84/926542084.db2.gz JGPHCYALGNRPMH-AWEZNQCLSA-N 1 2 286.375 1.865 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1OCC ZINC001085953744 926542093 /nfs/dbraw/zinc/54/20/93/926542093.db2.gz JGPHCYALGNRPMH-AWEZNQCLSA-N 1 2 286.375 1.865 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@]2(C)C[N@H+](CC=C)CCO2)cn1 ZINC001108350073 927425865 /nfs/dbraw/zinc/42/58/65/927425865.db2.gz UOOPXCYXDXBAMA-KRWDZBQOSA-N 1 2 299.374 1.070 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@]2(C)C[N@@H+](CC=C)CCO2)cn1 ZINC001108350073 927425873 /nfs/dbraw/zinc/42/58/73/927425873.db2.gz UOOPXCYXDXBAMA-KRWDZBQOSA-N 1 2 299.374 1.070 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)/C(C)=C\C)C1 ZINC001149480780 937184138 /nfs/dbraw/zinc/18/41/38/937184138.db2.gz CBSQRBWGXZACAE-KPVYPLCOSA-N 1 2 286.803 1.912 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)/C(C)=C\C)C1 ZINC001149480780 937184141 /nfs/dbraw/zinc/18/41/41/937184141.db2.gz CBSQRBWGXZACAE-KPVYPLCOSA-N 1 2 286.803 1.912 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Nc2ncc3ccccc3c2C#N)C[NH2+]1 ZINC001169128541 927744165 /nfs/dbraw/zinc/74/41/65/927744165.db2.gz CFKOFKMEFRWJKU-RISCZKNCSA-N 1 2 296.330 1.422 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000853620364 928058385 /nfs/dbraw/zinc/05/83/85/928058385.db2.gz ZJHHGVCCMHXNCA-UHFFFAOYSA-N 1 2 280.328 1.337 20 30 CDEDLO C#CCC[N@H+](CCOC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000853620364 928058396 /nfs/dbraw/zinc/05/83/96/928058396.db2.gz ZJHHGVCCMHXNCA-UHFFFAOYSA-N 1 2 280.328 1.337 20 30 CDEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001109310467 928875121 /nfs/dbraw/zinc/87/51/21/928875121.db2.gz IYXGKEKKIGXXMM-KATARQTJSA-N 1 2 280.265 1.794 20 30 CDEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001109310467 928875129 /nfs/dbraw/zinc/87/51/29/928875129.db2.gz IYXGKEKKIGXXMM-KATARQTJSA-N 1 2 280.265 1.794 20 30 CDEDLO C=CC[N@@H+](CN1C[C@H](c2cncn2C)CC1=O)C1CC1 ZINC000783993694 937289367 /nfs/dbraw/zinc/28/93/67/937289367.db2.gz NUZHBGSJNVBTFE-GFCCVEGCSA-N 1 2 274.368 1.344 20 30 CDEDLO C=CC[N@H+](CN1C[C@H](c2cncn2C)CC1=O)C1CC1 ZINC000783993694 937289370 /nfs/dbraw/zinc/28/93/70/937289370.db2.gz NUZHBGSJNVBTFE-GFCCVEGCSA-N 1 2 274.368 1.344 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](CC)OCC)CC1 ZINC001112666863 929302209 /nfs/dbraw/zinc/30/22/09/929302209.db2.gz WSBZJVBNOGVIBF-AWEZNQCLSA-N 1 2 284.400 1.148 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H](CO)O1 ZINC000787314768 929360418 /nfs/dbraw/zinc/36/04/18/929360418.db2.gz MBYNVRMIALPPBY-IUODEOHRSA-N 1 2 276.336 1.171 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H](CO)O1 ZINC000787314768 929360432 /nfs/dbraw/zinc/36/04/32/929360432.db2.gz MBYNVRMIALPPBY-IUODEOHRSA-N 1 2 276.336 1.171 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ncoc2CC)CC1 ZINC001112736897 929372348 /nfs/dbraw/zinc/37/23/48/929372348.db2.gz KABJMZCQLNFECP-UHFFFAOYSA-N 1 2 293.367 1.197 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2coc(CC)n2)CC1 ZINC001112782165 929419449 /nfs/dbraw/zinc/41/94/49/929419449.db2.gz GWGYPSIIBNPYPB-UHFFFAOYSA-N 1 2 293.367 1.197 20 30 CDEDLO Cc1nc(N[C@H](C)[C@H](C)NC(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001112974494 929615997 /nfs/dbraw/zinc/61/59/97/929615997.db2.gz YPYFLIIYMAEFAY-ZJUUUORDSA-N 1 2 298.350 1.604 20 30 CDEDLO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cn(CC)nn1 ZINC001152313901 937352924 /nfs/dbraw/zinc/35/29/24/937352924.db2.gz YXYDFIVKMLMUJV-CYBMUJFWSA-N 1 2 293.415 1.591 20 30 CDEDLO C=CCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1cn(CC)nn1 ZINC001152313901 937352928 /nfs/dbraw/zinc/35/29/28/937352928.db2.gz YXYDFIVKMLMUJV-CYBMUJFWSA-N 1 2 293.415 1.591 20 30 CDEDLO C=CCC(F)(F)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000814774607 929834310 /nfs/dbraw/zinc/83/43/10/929834310.db2.gz WAQPNZQQAPUGAN-GFCCVEGCSA-N 1 2 288.338 1.521 20 30 CDEDLO N#CCc1cccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)n1 ZINC000882472894 930006891 /nfs/dbraw/zinc/00/68/91/930006891.db2.gz WEEXDCGMOIIGFO-NSHDSACASA-N 1 2 281.319 1.545 20 30 CDEDLO N#CCCN(CCC#N)C(=O)c1c[nH]c2cc[nH+]cc12 ZINC001152977170 937404676 /nfs/dbraw/zinc/40/46/76/937404676.db2.gz KKANENROJADRGM-UHFFFAOYSA-N 1 2 267.292 1.832 20 30 CDEDLO C=CCNC(=O)Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001202558647 930287048 /nfs/dbraw/zinc/28/70/48/930287048.db2.gz FXULEECVPYUUPQ-UHFFFAOYSA-N 1 2 276.365 1.915 20 30 CDEDLO C=CCNC(=O)Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001202558647 930287053 /nfs/dbraw/zinc/28/70/53/930287053.db2.gz FXULEECVPYUUPQ-UHFFFAOYSA-N 1 2 276.365 1.915 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000886780179 930958154 /nfs/dbraw/zinc/95/81/54/930958154.db2.gz CISOUNMUCSHIOU-UHFFFAOYSA-N 1 2 281.312 1.794 20 30 CDEDLO C=CCC1(O)CC[NH+]([C@@H](C)c2nnc(C)[nH]2)CC1 ZINC000886778775 930959068 /nfs/dbraw/zinc/95/90/68/930959068.db2.gz SWAYOIXHOPOBOK-JTQLQIEISA-N 1 2 250.346 1.577 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)CC#Cc1ccccc1 ZINC001116696164 937466940 /nfs/dbraw/zinc/46/69/40/937466940.db2.gz VCHJJILBIMHZCR-HNNXBMFYSA-N 1 2 287.359 1.692 20 30 CDEDLO CC[N@@H+]1CC[C@@H]1C/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000887270740 931045947 /nfs/dbraw/zinc/04/59/47/931045947.db2.gz SNMOCPJEEVNXBG-ZBQKXELDSA-N 1 2 263.297 1.814 20 30 CDEDLO CC[N@H+]1CC[C@@H]1C/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000887270740 931045957 /nfs/dbraw/zinc/04/59/57/931045957.db2.gz SNMOCPJEEVNXBG-ZBQKXELDSA-N 1 2 263.297 1.814 20 30 CDEDLO C=C(C)C(C)(C)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000821448289 931053690 /nfs/dbraw/zinc/05/36/90/931053690.db2.gz SBZGPADTFVHUSG-BETUJISGSA-N 1 2 267.369 1.995 20 30 CDEDLO C=C(C)C(C)(C)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000821448289 931053696 /nfs/dbraw/zinc/05/36/96/931053696.db2.gz SBZGPADTFVHUSG-BETUJISGSA-N 1 2 267.369 1.995 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC001090810082 931489410 /nfs/dbraw/zinc/48/94/10/931489410.db2.gz SRPRINNYBQRZMZ-DGCLKSJQSA-N 1 2 288.395 1.938 20 30 CDEDLO C[C@H](C#N)N(C)C(=O)c1nc2c(s1)C[N@H+](C)CC2 ZINC001154219517 937518513 /nfs/dbraw/zinc/51/85/13/937518513.db2.gz YUNXHGSLBMCSPK-MRVPVSSYSA-N 1 2 264.354 1.115 20 30 CDEDLO C[C@H](C#N)N(C)C(=O)c1nc2c(s1)C[N@@H+](C)CC2 ZINC001154219517 937518515 /nfs/dbraw/zinc/51/85/15/937518515.db2.gz YUNXHGSLBMCSPK-MRVPVSSYSA-N 1 2 264.354 1.115 20 30 CDEDLO C[C@@H]1C[NH+](C2CN(Cc3ccc(C#N)cn3)C2)C[C@@H](C)O1 ZINC001144169823 931690602 /nfs/dbraw/zinc/69/06/02/931690602.db2.gz YNASEMWZNYRWOK-CHWSQXEVSA-N 1 2 286.379 1.247 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1csc(C#N)c1 ZINC001117740206 937547591 /nfs/dbraw/zinc/54/75/91/937547591.db2.gz DUQWNVYYNWLHNP-VIFPVBQESA-N 1 2 260.322 1.635 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc(OC)c(O)c2)CC1 ZINC001144789657 932022392 /nfs/dbraw/zinc/02/23/92/932022392.db2.gz ZKKLBTNVBRAGKH-UHFFFAOYSA-N 1 2 290.363 1.274 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc3cccnn3c2)CC1 ZINC001154587284 937562153 /nfs/dbraw/zinc/56/21/53/937562153.db2.gz MWAFOFTXNJLAOD-UHFFFAOYSA-N 1 2 270.336 1.278 20 30 CDEDLO N#CCOc1ccc(C[NH+]2CCN(c3ncc[nH]3)CC2)cc1 ZINC000846878780 932155356 /nfs/dbraw/zinc/15/53/56/932155356.db2.gz TUSZBAMFKFMXDO-UHFFFAOYSA-N 1 2 297.362 1.634 20 30 CDEDLO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cc(CO)on1 ZINC000924638618 932808046 /nfs/dbraw/zinc/80/80/46/932808046.db2.gz FORJCKULGILEAR-SNVBAGLBSA-N 1 2 257.293 1.889 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C(F)F)C1 ZINC001148984623 932819885 /nfs/dbraw/zinc/81/98/85/932819885.db2.gz BNXSFRAGWCVKKP-SECBINFHSA-N 1 2 282.718 1.211 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C(F)F)C1 ZINC001148984623 932819887 /nfs/dbraw/zinc/81/98/87/932819887.db2.gz BNXSFRAGWCVKKP-SECBINFHSA-N 1 2 282.718 1.211 20 30 CDEDLO CC(C)C#CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001118735439 937660570 /nfs/dbraw/zinc/66/05/70/937660570.db2.gz RMOCBXMRJNVUHL-CQSZACIVSA-N 1 2 273.380 1.861 20 30 CDEDLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCOc1cccc(C#N)c1 ZINC000930834473 933459251 /nfs/dbraw/zinc/45/92/51/933459251.db2.gz VYATYPKYOABZIW-XQQFMLRXSA-N 1 2 287.363 1.534 20 30 CDEDLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCOc1cccc(C#N)c1 ZINC000930834473 933459260 /nfs/dbraw/zinc/45/92/60/933459260.db2.gz VYATYPKYOABZIW-XQQFMLRXSA-N 1 2 287.363 1.534 20 30 CDEDLO C=C(C)CCC(=O)N(CCO)CCNc1cc[nH+]c(C)n1 ZINC001111511701 934263421 /nfs/dbraw/zinc/26/34/21/934263421.db2.gz AWWSDIMBMOGCNY-UHFFFAOYSA-N 1 2 292.383 1.374 20 30 CDEDLO CCOC[C@H]1C[N@H+](C[C@@H](O)c2cccc(C#N)c2)CCO1 ZINC001413039494 935192908 /nfs/dbraw/zinc/19/29/08/935192908.db2.gz AXVHUXRJNRQRAY-HZPDHXFCSA-N 1 2 290.363 1.329 20 30 CDEDLO CCOC[C@H]1C[N@@H+](C[C@@H](O)c2cccc(C#N)c2)CCO1 ZINC001413039494 935192913 /nfs/dbraw/zinc/19/29/13/935192913.db2.gz AXVHUXRJNRQRAY-HZPDHXFCSA-N 1 2 290.363 1.329 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCOCC1 ZINC001017511722 935234197 /nfs/dbraw/zinc/23/41/97/935234197.db2.gz MGAULXJJGAZQLZ-OAGGEKHMSA-N 1 2 290.407 1.502 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCOCC1 ZINC001017511722 935234204 /nfs/dbraw/zinc/23/42/04/935234204.db2.gz MGAULXJJGAZQLZ-OAGGEKHMSA-N 1 2 290.407 1.502 20 30 CDEDLO C=C[C@H](O)C[NH2+]CC(F)(F)C(F)(F)C(F)(F)F ZINC001253598524 935316798 /nfs/dbraw/zinc/31/67/98/935316798.db2.gz VHDDMNXZAIUHRT-YFKPBYRVSA-N 1 2 269.160 1.956 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001015622279 935576327 /nfs/dbraw/zinc/57/63/27/935576327.db2.gz DYMCKHPHICKIMM-AWEZNQCLSA-N 1 2 291.395 1.721 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2occc2CN(C)C)C1 ZINC001015622279 935576329 /nfs/dbraw/zinc/57/63/29/935576329.db2.gz DYMCKHPHICKIMM-AWEZNQCLSA-N 1 2 291.395 1.721 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCOC1 ZINC001017402588 935637424 /nfs/dbraw/zinc/63/74/24/935637424.db2.gz XTXDLJXPYFCQNS-KFWWJZLASA-N 1 2 276.380 1.112 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCOC1 ZINC001017402588 935637427 /nfs/dbraw/zinc/63/74/27/935637427.db2.gz XTXDLJXPYFCQNS-KFWWJZLASA-N 1 2 276.380 1.112 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CC)nc1C ZINC001018009442 935657406 /nfs/dbraw/zinc/65/74/06/935657406.db2.gz WJHHBAPQHJFNMQ-OKILXGFUSA-N 1 2 286.379 1.133 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CC)nc1C ZINC001018009442 935657407 /nfs/dbraw/zinc/65/74/07/935657407.db2.gz WJHHBAPQHJFNMQ-OKILXGFUSA-N 1 2 286.379 1.133 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)(C)C)on1 ZINC001038496233 935746843 /nfs/dbraw/zinc/74/68/43/935746843.db2.gz LOZAZUUZCLQZPH-LLVKDONJSA-N 1 2 275.352 1.409 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)(C)C)on1 ZINC001038496233 935746844 /nfs/dbraw/zinc/74/68/44/935746844.db2.gz LOZAZUUZCLQZPH-LLVKDONJSA-N 1 2 275.352 1.409 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)nc(OC)c1 ZINC001038652220 935751044 /nfs/dbraw/zinc/75/10/44/935751044.db2.gz ODEYJNPTCYPZAR-CQSZACIVSA-N 1 2 287.363 1.226 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)nc(OC)c1 ZINC001038652220 935751045 /nfs/dbraw/zinc/75/10/45/935751045.db2.gz ODEYJNPTCYPZAR-CQSZACIVSA-N 1 2 287.363 1.226 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nccc2[nH]ccc21 ZINC001038717760 935754462 /nfs/dbraw/zinc/75/44/62/935754462.db2.gz VIZAGEYSRKJFCI-GFCCVEGCSA-N 1 2 282.347 1.390 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1nccc2[nH]ccc21 ZINC001038717760 935754464 /nfs/dbraw/zinc/75/44/64/935754464.db2.gz VIZAGEYSRKJFCI-GFCCVEGCSA-N 1 2 282.347 1.390 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnon3)C[C@@H]21 ZINC001042275322 935817226 /nfs/dbraw/zinc/81/72/26/935817226.db2.gz APQWWHGXJPETNC-PWSUYJOCSA-N 1 2 296.758 1.359 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cnon3)C[C@@H]21 ZINC001042275322 935817229 /nfs/dbraw/zinc/81/72/29/935817229.db2.gz APQWWHGXJPETNC-PWSUYJOCSA-N 1 2 296.758 1.359 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2nccc3[nH]ccc32)C1 ZINC001043908112 935846275 /nfs/dbraw/zinc/84/62/75/935846275.db2.gz NEDHIIYVDLHFEF-UHFFFAOYSA-N 1 2 284.363 1.895 20 30 CDEDLO N#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001095994817 935869121 /nfs/dbraw/zinc/86/91/21/935869121.db2.gz RAHRWNVPDNJFAK-RFHZTLPTSA-N 1 2 299.378 1.075 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCOC2)C1 ZINC001046175798 935930907 /nfs/dbraw/zinc/93/09/07/935930907.db2.gz ACIMTAGSJIPHKT-YPMHNXCESA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCOC2)C1 ZINC001046175798 935930909 /nfs/dbraw/zinc/93/09/09/935930909.db2.gz ACIMTAGSJIPHKT-YPMHNXCESA-N 1 2 272.776 1.356 20 30 CDEDLO Cc1nc(N2CCC(N(C)C(=O)[C@H](C)C#N)CC2)cc[nH+]1 ZINC001096100908 935954597 /nfs/dbraw/zinc/95/45/97/935954597.db2.gz PUTOIWUDJRWRGE-LLVKDONJSA-N 1 2 287.367 1.372 20 30 CDEDLO C#CCC1(C(=O)N[C@H]2CCN(c3cc[nH+]c(C)n3)C2)CCC1 ZINC001096450314 936092365 /nfs/dbraw/zinc/09/23/65/936092365.db2.gz JLFOWOOFFUKXLD-AWEZNQCLSA-N 1 2 298.390 1.674 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097194065 936281267 /nfs/dbraw/zinc/28/12/67/936281267.db2.gz XKUHSECWMPBQJG-WCFLWFBJSA-N 1 2 290.367 1.435 20 30 CDEDLO C=C(C[NH+](C)C)C(=O)N=[S@](C)(=O)c1ccccc1F ZINC001120749598 937832161 /nfs/dbraw/zinc/83/21/61/937832161.db2.gz JPQZYLJKFZQWNY-LJQANCHMSA-N 1 2 284.356 1.927 20 30 CDEDLO Cc1nc(-c2ccccn2)nc(N2CC[NH2+]C[C@@H]2C#N)c1C ZINC001156331918 938352982 /nfs/dbraw/zinc/35/29/82/938352982.db2.gz CDFZAAUVQCNAPQ-ZDUSSCGKSA-N 1 2 294.362 1.457 20 30 CDEDLO Cc1c[nH+]c(NC[C@@H]2CC(=O)N(C)C2)c(/C=N/O)c1 ZINC001157909317 938560355 /nfs/dbraw/zinc/56/03/55/938560355.db2.gz NPVOOOFTROVJBP-NPVNMOQSSA-N 1 2 262.313 1.088 20 30 CDEDLO C#CC[N@H+]1CC=C(CCNC(=O)C(F)C(F)(F)F)CC1 ZINC001160196620 938775031 /nfs/dbraw/zinc/77/50/31/938775031.db2.gz VMIQBADQYQFATL-LLVKDONJSA-N 1 2 292.276 1.658 20 30 CDEDLO C#CC[N@@H+]1CC=C(CCNC(=O)C(F)C(F)(F)F)CC1 ZINC001160196620 938775032 /nfs/dbraw/zinc/77/50/32/938775032.db2.gz VMIQBADQYQFATL-LLVKDONJSA-N 1 2 292.276 1.658 20 30 CDEDLO C#CC[N@H+]1CC=C(CCNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001160196620 938775033 /nfs/dbraw/zinc/77/50/33/938775033.db2.gz VMIQBADQYQFATL-LLVKDONJSA-N 1 2 292.276 1.658 20 30 CDEDLO C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001160196620 938775034 /nfs/dbraw/zinc/77/50/34/938775034.db2.gz VMIQBADQYQFATL-LLVKDONJSA-N 1 2 292.276 1.658 20 30 CDEDLO Cc1c[nH+]c(NCCc2cnc(N)s2)c(/C=N/O)c1 ZINC001160378892 938783107 /nfs/dbraw/zinc/78/31/07/938783107.db2.gz UYEUWEKCRDNSBR-UBKPWBPPSA-N 1 2 277.353 1.891 20 30 CDEDLO COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1ccc(C#N)c(C)n1 ZINC001160697738 938815762 /nfs/dbraw/zinc/81/57/62/938815762.db2.gz ZJZJYOCWSGDYSW-ZDUSSCGKSA-N 1 2 299.334 1.191 20 30 CDEDLO Cc1ccnc(NC[C@H]([NH3+])C(=O)OC(C)(C)C)c1C#N ZINC001162849394 939153366 /nfs/dbraw/zinc/15/33/66/939153366.db2.gz OGOSKVPUOJBPIA-NSHDSACASA-N 1 2 276.340 1.343 20 30 CDEDLO CC(C)(C)Oc1cccc(N2CC[NH2+]C[C@H]2C#N)n1 ZINC001164650776 939501959 /nfs/dbraw/zinc/50/19/59/939501959.db2.gz AIZHLPBMHSCDFS-LLVKDONJSA-N 1 2 260.341 1.561 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1c1nc(C2CC2)nc2[nH]ccc21 ZINC001164660746 939502948 /nfs/dbraw/zinc/50/29/48/939502948.db2.gz HNOUDIDBMHUPLH-SNVBAGLBSA-N 1 2 268.324 1.137 20 30 CDEDLO C=CCCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nc(C)no2)C1 ZINC001207628911 940223904 /nfs/dbraw/zinc/22/39/04/940223904.db2.gz MLAQWXRJUPSZMD-WCQYABFASA-N 1 2 292.383 1.986 20 30 CDEDLO C#CCC[NH2+][C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001208084037 940286768 /nfs/dbraw/zinc/28/67/68/940286768.db2.gz JVALWENWBZMVNY-NXEZZACHSA-N 1 2 280.265 1.491 20 30 CDEDLO C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001208084037 940286771 /nfs/dbraw/zinc/28/67/71/940286771.db2.gz JVALWENWBZMVNY-NXEZZACHSA-N 1 2 280.265 1.491 20 30 CDEDLO CC(=O)OC1C[NH+](CCCc2cccc(C#N)c2)C1 ZINC001208853825 940396119 /nfs/dbraw/zinc/39/61/19/940396119.db2.gz XWWCMVPPGDKGCB-UHFFFAOYSA-N 1 2 258.321 1.738 20 30 CDEDLO CC(=O)[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)CCO1 ZINC001208929946 940407632 /nfs/dbraw/zinc/40/76/32/940407632.db2.gz XMOXDFNUFZHVHJ-HNNXBMFYSA-N 1 2 258.321 1.391 20 30 CDEDLO CC(=O)[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)CCO1 ZINC001208929946 940407636 /nfs/dbraw/zinc/40/76/36/940407636.db2.gz XMOXDFNUFZHVHJ-HNNXBMFYSA-N 1 2 258.321 1.391 20 30 CDEDLO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1[nH]c(=O)nc2cc[nH]c21 ZINC001218452029 941219698 /nfs/dbraw/zinc/21/96/98/941219698.db2.gz PRTCCMCXOYDJDB-MWLCHTKSSA-N 1 2 274.324 1.739 20 30 CDEDLO N#Cc1ccc(NC(=O)[C@@H]2COCC[NH2+]2)c2cccnc12 ZINC001219467695 941349043 /nfs/dbraw/zinc/34/90/43/941349043.db2.gz NRCSEXQDUKARED-ZDUSSCGKSA-N 1 2 282.303 1.033 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc4ccccc4[nH]3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225584258 941884459 /nfs/dbraw/zinc/88/44/59/941884459.db2.gz YQDUCRUELSTKQW-UBYSCORNSA-N 1 2 271.320 1.554 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc4ccccc4[nH]3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225584258 941884462 /nfs/dbraw/zinc/88/44/62/941884462.db2.gz YQDUCRUELSTKQW-UBYSCORNSA-N 1 2 271.320 1.554 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccnc(Cl)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225782190 941912662 /nfs/dbraw/zinc/91/26/62/941912662.db2.gz QHNBBMCQKIEHKP-NJFCNUMCSA-N 1 2 266.728 1.726 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccnc(Cl)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225782190 941912664 /nfs/dbraw/zinc/91/26/64/941912664.db2.gz QHNBBMCQKIEHKP-NJFCNUMCSA-N 1 2 266.728 1.726 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc4cc(F)ccc4[nH]3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226700983 942052376 /nfs/dbraw/zinc/05/23/76/942052376.db2.gz IJAIOUMGEMOAAS-UBYSCORNSA-N 1 2 289.310 1.693 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc4cc(F)ccc4[nH]3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226700983 942052382 /nfs/dbraw/zinc/05/23/82/942052382.db2.gz IJAIOUMGEMOAAS-UBYSCORNSA-N 1 2 289.310 1.693 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc4ccccc4o3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226906249 942092616 /nfs/dbraw/zinc/09/26/16/942092616.db2.gz PWCGUEDYNKFBQF-LSVRBPJHSA-N 1 2 272.304 1.819 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc4ccccc4o3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226906249 942092622 /nfs/dbraw/zinc/09/26/22/942092622.db2.gz PWCGUEDYNKFBQF-LSVRBPJHSA-N 1 2 272.304 1.819 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3c(F)cccc3C#N)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227286844 942163542 /nfs/dbraw/zinc/16/35/42/942163542.db2.gz CETZZLSVOVIPBV-HJTUNCCVSA-N 1 2 274.295 1.689 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3c(F)cccc3C#N)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227286844 942163544 /nfs/dbraw/zinc/16/35/44/942163544.db2.gz CETZZLSVOVIPBV-HJTUNCCVSA-N 1 2 274.295 1.689 20 30 CDEDLO C=C[C@@H](Oc1cc2c(cc1OC)CC[NH+]=C2)C(=O)OC ZINC001228086838 942266561 /nfs/dbraw/zinc/26/65/61/942266561.db2.gz BWXFYSFRJLGJOL-GFCCVEGCSA-N 1 2 275.304 1.777 20 30 CDEDLO N#C[C@@H](CCc1ccccc1)C(=O)NCCc1[nH]cc[nH+]1 ZINC001362104829 970890763 /nfs/dbraw/zinc/89/07/63/970890763.db2.gz WNFZAFANWJXRGZ-CQSZACIVSA-N 1 2 282.347 1.841 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CCCC1 ZINC001230574565 942646543 /nfs/dbraw/zinc/64/65/43/942646543.db2.gz GULKSJPINUJBJM-OAHLLOKOSA-N 1 2 278.396 1.359 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1CCCC1 ZINC001230574565 942646549 /nfs/dbraw/zinc/64/65/49/942646549.db2.gz GULKSJPINUJBJM-OAHLLOKOSA-N 1 2 278.396 1.359 20 30 CDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCCF)CC1 ZINC001230586586 942651525 /nfs/dbraw/zinc/65/15/25/942651525.db2.gz BUOMARCXOYZQQR-CQSZACIVSA-N 1 2 281.375 1.963 20 30 CDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCCF)CC1 ZINC001230586586 942651527 /nfs/dbraw/zinc/65/15/27/942651527.db2.gz BUOMARCXOYZQQR-CQSZACIVSA-N 1 2 281.375 1.963 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCCCC ZINC001230772468 942692982 /nfs/dbraw/zinc/69/29/82/942692982.db2.gz HNYZIYLZYGOAKS-AWEZNQCLSA-N 1 2 295.427 1.402 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCCCC ZINC001230772468 942692985 /nfs/dbraw/zinc/69/29/85/942692985.db2.gz HNYZIYLZYGOAKS-AWEZNQCLSA-N 1 2 295.427 1.402 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N[C@H](C)CC ZINC001231121693 942792900 /nfs/dbraw/zinc/79/29/00/942792900.db2.gz GROIABJVHLVIKI-ZIAGYGMSSA-N 1 2 295.427 1.400 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N[C@H](C)CC ZINC001231121693 942792904 /nfs/dbraw/zinc/79/29/04/942792904.db2.gz GROIABJVHLVIKI-ZIAGYGMSSA-N 1 2 295.427 1.400 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+](C)Cc1ccncn1 ZINC001231621881 942948301 /nfs/dbraw/zinc/94/83/01/942948301.db2.gz LCDANLOPIJLPGZ-UHFFFAOYSA-N 1 2 268.320 1.989 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+](C)Cc1ccncn1 ZINC001231621881 942948307 /nfs/dbraw/zinc/94/83/07/942948307.db2.gz LCDANLOPIJLPGZ-UHFFFAOYSA-N 1 2 268.320 1.989 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cncc(O)c2)C1 ZINC001232043509 943114818 /nfs/dbraw/zinc/11/48/18/943114818.db2.gz GNDZBRXFWKOTSG-CYBMUJFWSA-N 1 2 291.351 1.664 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cncc(O)c2)C1 ZINC001232043509 943114823 /nfs/dbraw/zinc/11/48/23/943114823.db2.gz GNDZBRXFWKOTSG-CYBMUJFWSA-N 1 2 291.351 1.664 20 30 CDEDLO Cc1[nH]c(CN2CCN(c3cccc(C#N)c3)CC2)c[nH+]1 ZINC001232465146 943286366 /nfs/dbraw/zinc/28/63/66/943286366.db2.gz WDEVOQRSYSOHHY-UHFFFAOYSA-N 1 2 281.363 1.912 20 30 CDEDLO COC[C@H]1Cn2nccc2C[N@H+](Cc2cccc(C#N)n2)C1 ZINC001232924965 943436390 /nfs/dbraw/zinc/43/63/90/943436390.db2.gz HPQOFDLUHCMEME-CYBMUJFWSA-N 1 2 297.362 1.428 20 30 CDEDLO COC[C@H]1Cn2nccc2C[N@@H+](Cc2cccc(C#N)n2)C1 ZINC001232924965 943436395 /nfs/dbraw/zinc/43/63/95/943436395.db2.gz HPQOFDLUHCMEME-CYBMUJFWSA-N 1 2 297.362 1.428 20 30 CDEDLO CCc1ccc(O)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001233579217 943620950 /nfs/dbraw/zinc/62/09/50/943620950.db2.gz AJFAZYGMQXCDCW-FDAWXEHDSA-N 1 2 275.348 1.946 20 30 CDEDLO CCc1ccc(O)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001233579217 943620951 /nfs/dbraw/zinc/62/09/51/943620951.db2.gz AJFAZYGMQXCDCW-FDAWXEHDSA-N 1 2 275.348 1.946 20 30 CDEDLO C=C(Cl)CN1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234010785 943715245 /nfs/dbraw/zinc/71/52/45/943715245.db2.gz HGCLNSUJHUQOCU-LBPRGKRZSA-N 1 2 296.802 1.628 20 30 CDEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(N)=O)CC1 ZINC000722149473 943945646 /nfs/dbraw/zinc/94/56/46/943945646.db2.gz WLYNEGKROLSCRL-UHFFFAOYSA-N 1 2 258.325 1.063 20 30 CDEDLO CC1=CCC=C[C@@H]1C(=O)N1C[C@H]2C[C@@H](C1)[N@H+](CCC#N)C2 ZINC001277936860 944119472 /nfs/dbraw/zinc/11/94/72/944119472.db2.gz RXMNYUDYFRJEMG-JYJNAYRXSA-N 1 2 285.391 1.955 20 30 CDEDLO CC1=CCC=C[C@@H]1C(=O)N1C[C@H]2C[C@@H](C1)[N@@H+](CCC#N)C2 ZINC001277936860 944119476 /nfs/dbraw/zinc/11/94/76/944119476.db2.gz RXMNYUDYFRJEMG-JYJNAYRXSA-N 1 2 285.391 1.955 20 30 CDEDLO N#CCCC[NH+]1CC2(CCN2C(=O)CCc2ccc[nH]2)C1 ZINC001277942081 944141117 /nfs/dbraw/zinc/14/11/17/944141117.db2.gz ZZQOQBCKSBZJEK-UHFFFAOYSA-N 1 2 286.379 1.538 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(OC)c(F)cc2F)CC1 ZINC001236825549 944585462 /nfs/dbraw/zinc/58/54/62/944585462.db2.gz DAOLWNRKARXSMJ-UHFFFAOYSA-N 1 2 280.318 1.724 20 30 CDEDLO C[C@@H](O)c1ncc(C[N@@H+]2CC[C@@](O)(CC#N)C2)s1 ZINC001261494272 946141940 /nfs/dbraw/zinc/14/19/40/946141940.db2.gz KPUUZJTYJIMZEK-SKDRFNHKSA-N 1 2 267.354 1.047 20 30 CDEDLO C[C@@H](O)c1ncc(C[N@H+]2CC[C@@](O)(CC#N)C2)s1 ZINC001261494272 946141944 /nfs/dbraw/zinc/14/19/44/946141944.db2.gz KPUUZJTYJIMZEK-SKDRFNHKSA-N 1 2 267.354 1.047 20 30 CDEDLO CCOC(=O)[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C1CCOCC1 ZINC001254645276 947568509 /nfs/dbraw/zinc/56/85/09/947568509.db2.gz BLXQWUQTUGGUJF-FPMFFAJLSA-N 1 2 280.368 1.627 20 30 CDEDLO C#CC[C@@H]([NH3+])c1nc(-c2ccnc(C(C)=O)c2)no1 ZINC001247609499 948678740 /nfs/dbraw/zinc/67/87/40/948678740.db2.gz JPUNORXMRXAPIO-SNVBAGLBSA-N 1 2 256.265 1.357 20 30 CDEDLO C#CC[C@@H]([NH3+])c1nc(-c2ccc3c(c2)OCCC3=O)no1 ZINC001247613516 948680355 /nfs/dbraw/zinc/68/03/55/948680355.db2.gz MNIDMMHZSPLMPV-LLVKDONJSA-N 1 2 283.287 1.725 20 30 CDEDLO C=CCCNC(=S)NC1CN(c2cccc[nH+]2)C1 ZINC001247679955 948703648 /nfs/dbraw/zinc/70/36/48/948703648.db2.gz QYQGKIJBBYFKDF-UHFFFAOYSA-N 1 2 262.382 1.310 20 30 CDEDLO C=CCCNC(=S)NCc1c[nH+]cn1CC1CC1 ZINC001247694627 948706153 /nfs/dbraw/zinc/70/61/53/948706153.db2.gz ZJTGQIKHIUJPQS-UHFFFAOYSA-N 1 2 264.398 1.833 20 30 CDEDLO COC[C@@H]([NH3+])c1nc(-c2cc(F)cc(C#N)c2)no1 ZINC001248184584 948960285 /nfs/dbraw/zinc/96/02/85/948960285.db2.gz PDIARCHZAPBEHS-SNVBAGLBSA-N 1 2 262.244 1.394 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC001362768882 971604667 /nfs/dbraw/zinc/60/46/67/971604667.db2.gz RWBUCNCMQSCQPN-CQSZACIVSA-N 1 2 280.331 1.936 20 30 CDEDLO C=C[C@@](C)(O)C[NH2+][C@@H](C(=O)OC)C1CCCCC1 ZINC001252541656 951426237 /nfs/dbraw/zinc/42/62/37/951426237.db2.gz QESJUUSNFQIHPJ-TZMCWYRMSA-N 1 2 255.358 1.635 20 30 CDEDLO C=C[C@](C)(O)C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC001252557739 951452042 /nfs/dbraw/zinc/45/20/42/951452042.db2.gz KNPCGNTZRDNOEY-ZBFHGGJFSA-N 1 2 275.348 1.523 20 30 CDEDLO C=C[C@](C)(O)C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC001252557739 951452047 /nfs/dbraw/zinc/45/20/47/951452047.db2.gz KNPCGNTZRDNOEY-ZBFHGGJFSA-N 1 2 275.348 1.523 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH2+]C[C@H](O)C(C)C)[C@@H](C)CC ZINC001253779725 952109375 /nfs/dbraw/zinc/10/93/75/952109375.db2.gz ILUPXKIJFWQSOJ-AVGNSLFASA-N 1 2 257.374 1.737 20 30 CDEDLO C#CC[NH+]1CCN(c2nc3cccc(C)c3o2)CC1 ZINC001325181783 953762163 /nfs/dbraw/zinc/76/21/63/953762163.db2.gz VXMOKAJIDAAZAI-UHFFFAOYSA-N 1 2 255.321 1.891 20 30 CDEDLO Cc1cc(C#N)cc(N(C)Cc2ccc(N)[nH+]c2)n1 ZINC001307088794 956360785 /nfs/dbraw/zinc/36/07/85/956360785.db2.gz LIFAYPADXKFVQA-UHFFFAOYSA-N 1 2 253.309 1.875 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCc2ccnn2C)C1 ZINC001365990572 956492341 /nfs/dbraw/zinc/49/23/41/956492341.db2.gz SSKYTAMUDSXJBW-LBPRGKRZSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCc2ccnn2C)C1 ZINC001365990572 956492348 /nfs/dbraw/zinc/49/23/48/956492348.db2.gz SSKYTAMUDSXJBW-LBPRGKRZSA-N 1 2 296.802 1.296 20 30 CDEDLO C[C@@H](C#N)C[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC001308548046 956544209 /nfs/dbraw/zinc/54/42/09/956544209.db2.gz KVABOKLQNWFKHE-JTQLQIEISA-N 1 2 252.339 1.339 20 30 CDEDLO CO[C@H](C[NH+]1CC(NC(=O)[C@H](C)C#N)C1)c1ccccc1 ZINC001494360261 972216827 /nfs/dbraw/zinc/21/68/27/972216827.db2.gz ZASYFGDPGLHGIV-IUODEOHRSA-N 1 2 287.363 1.334 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCCN2C(=O)CC)CC1 ZINC001313445501 956865025 /nfs/dbraw/zinc/86/50/25/956865025.db2.gz WYEVEALJKFJUQH-AWEZNQCLSA-N 1 2 293.411 1.108 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)no2)C1 ZINC001316986562 957182725 /nfs/dbraw/zinc/18/27/25/957182725.db2.gz YJMBNEODZZHDLZ-NSHDSACASA-N 1 2 293.367 1.586 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)no2)C1 ZINC001316986562 957182729 /nfs/dbraw/zinc/18/27/29/957182729.db2.gz YJMBNEODZZHDLZ-NSHDSACASA-N 1 2 293.367 1.586 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccnn1C ZINC001424925104 957410564 /nfs/dbraw/zinc/41/05/64/957410564.db2.gz YYWGYJNCMSSMSH-JTQLQIEISA-N 1 2 270.764 1.223 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccnn1C ZINC001424925104 957410568 /nfs/dbraw/zinc/41/05/68/957410568.db2.gz YYWGYJNCMSSMSH-JTQLQIEISA-N 1 2 270.764 1.223 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)CC)C1 ZINC001368143867 958657931 /nfs/dbraw/zinc/65/79/31/958657931.db2.gz IFCRDPUMXQICCY-NSHDSACASA-N 1 2 275.190 1.886 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)CC)C1 ZINC001368143867 958657935 /nfs/dbraw/zinc/65/79/35/958657935.db2.gz IFCRDPUMXQICCY-NSHDSACASA-N 1 2 275.190 1.886 20 30 CDEDLO C=C[C@H](COC)NC(=O)NCCCCNc1cccc[nH+]1 ZINC001320295364 959059108 /nfs/dbraw/zinc/05/91/08/959059108.db2.gz ZMEVFIRXNMXBKL-CYBMUJFWSA-N 1 2 292.383 1.774 20 30 CDEDLO C=CCNC(=O)CSCc1cc(OC)cc(C)[nH+]1 ZINC001320669603 959310263 /nfs/dbraw/zinc/31/02/63/959310263.db2.gz HQYNBQYJZZPKOD-UHFFFAOYSA-N 1 2 266.366 1.934 20 30 CDEDLO Cc1nc(C[NH+]2CC(CNC(=O)[C@@H](C)C#N)C2)c(C)s1 ZINC001419009943 961259709 /nfs/dbraw/zinc/25/97/09/961259709.db2.gz IABVBRFBLLYNRP-VIFPVBQESA-N 1 2 292.408 1.468 20 30 CDEDLO C#CCNCC(=O)Nc1cccc2c1C[N@H+](CCC)C2 ZINC001340075591 962727315 /nfs/dbraw/zinc/72/73/15/962727315.db2.gz MZUFQNLKANDIPY-UHFFFAOYSA-N 1 2 271.364 1.574 20 30 CDEDLO C#CCNCC(=O)Nc1cccc2c1C[N@@H+](CCC)C2 ZINC001340075591 962727324 /nfs/dbraw/zinc/72/73/24/962727324.db2.gz MZUFQNLKANDIPY-UHFFFAOYSA-N 1 2 271.364 1.574 20 30 CDEDLO C=CCN(C)c1nnc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1C ZINC001340143357 962773645 /nfs/dbraw/zinc/77/36/45/962773645.db2.gz XZRUOUMUVGASMC-OLZOCXBDSA-N 1 2 291.399 1.363 20 30 CDEDLO C=CCN(C)c1nnc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)n1C ZINC001340143357 962773656 /nfs/dbraw/zinc/77/36/56/962773656.db2.gz XZRUOUMUVGASMC-OLZOCXBDSA-N 1 2 291.399 1.363 20 30 CDEDLO CC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1ccncc1Cl ZINC001420367876 962798094 /nfs/dbraw/zinc/79/80/94/962798094.db2.gz JZCVXNMTSYBZOT-LLVKDONJSA-N 1 2 294.786 1.833 20 30 CDEDLO CC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1ccncc1Cl ZINC001420367876 962798098 /nfs/dbraw/zinc/79/80/98/962798098.db2.gz JZCVXNMTSYBZOT-LLVKDONJSA-N 1 2 294.786 1.833 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1cnn(C)c1 ZINC001439301352 963709304 /nfs/dbraw/zinc/70/93/04/963709304.db2.gz DDXRBDJLVJTISU-NSHDSACASA-N 1 2 284.791 1.152 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1cnn(C)c1 ZINC001439301352 963709307 /nfs/dbraw/zinc/70/93/07/963709307.db2.gz DDXRBDJLVJTISU-NSHDSACASA-N 1 2 284.791 1.152 20 30 CDEDLO C=CCN(CC=C)c1nnc(Cc2[nH+]ccn2C)n1CC=C ZINC001342414716 963733811 /nfs/dbraw/zinc/73/38/11/963733811.db2.gz GMEPEZHUSVUARJ-UHFFFAOYSA-N 1 2 298.394 1.967 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCc1cnccn1 ZINC001440995057 964314872 /nfs/dbraw/zinc/31/48/72/964314872.db2.gz WVTLKSQFHQJSSA-LBPRGKRZSA-N 1 2 296.802 1.598 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCc1cnccn1 ZINC001440995057 964314884 /nfs/dbraw/zinc/31/48/84/964314884.db2.gz WVTLKSQFHQJSSA-LBPRGKRZSA-N 1 2 296.802 1.598 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H]3C)n2CC2CC2)CC1 ZINC001346113919 964932434 /nfs/dbraw/zinc/93/24/34/964932434.db2.gz MGYPHGVRDWEWCM-ZFWWWQNUSA-N 1 2 299.422 1.567 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1cccnc1)C1CC1 ZINC001442995655 965312336 /nfs/dbraw/zinc/31/23/36/965312336.db2.gz FVJPPVVOXFPHGN-UHFFFAOYSA-N 1 2 293.798 1.957 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1cccnc1)C1CC1 ZINC001442995655 965312344 /nfs/dbraw/zinc/31/23/44/965312344.db2.gz FVJPPVVOXFPHGN-UHFFFAOYSA-N 1 2 293.798 1.957 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)Cc2nnc[nH]2)C1 ZINC001443887103 965648478 /nfs/dbraw/zinc/64/84/78/965648478.db2.gz SUIINMKVXZCNNE-LLVKDONJSA-N 1 2 297.790 1.023 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2nnc[nH]2)C1 ZINC001443887103 965648482 /nfs/dbraw/zinc/64/84/82/965648482.db2.gz SUIINMKVXZCNNE-LLVKDONJSA-N 1 2 297.790 1.023 20 30 CDEDLO C=CCN(CCOC)C(=O)CCc1[nH+]ccn1C ZINC001348474497 966011973 /nfs/dbraw/zinc/01/19/73/966011973.db2.gz WRYJDRSWDDATME-UHFFFAOYSA-N 1 2 251.330 1.014 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cc(CC)n(C)n1 ZINC001448139525 967013933 /nfs/dbraw/zinc/01/39/33/967013933.db2.gz LMOTVAMUJCIJLG-LLVKDONJSA-N 1 2 298.818 1.785 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cc(CC)n(C)n1 ZINC001448139525 967013939 /nfs/dbraw/zinc/01/39/39/967013939.db2.gz LMOTVAMUJCIJLG-LLVKDONJSA-N 1 2 298.818 1.785 20 30 CDEDLO C[C@H](O)C[C@@H]1COCC[N@@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001473366424 969723577 /nfs/dbraw/zinc/72/35/77/969723577.db2.gz SXZQPFULHNJZLI-MAZHCROVSA-N 1 2 290.363 1.063 20 30 CDEDLO C[C@H](O)C[C@@H]1COCC[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001473366424 969723578 /nfs/dbraw/zinc/72/35/78/969723578.db2.gz SXZQPFULHNJZLI-MAZHCROVSA-N 1 2 290.363 1.063 20 30 CDEDLO C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H](F)C(F)(F)F ZINC001495668019 972577507 /nfs/dbraw/zinc/57/75/07/972577507.db2.gz LFUXSVSVLCMJLK-XPUUQOCRSA-N 1 2 290.688 1.981 20 30 CDEDLO C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001495668019 972577492 /nfs/dbraw/zinc/57/74/92/972577492.db2.gz LFUXSVSVLCMJLK-XPUUQOCRSA-N 1 2 290.688 1.981 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](CC(C)C)OC ZINC001418496938 973904666 /nfs/dbraw/zinc/90/46/66/973904666.db2.gz NDPDUKSBDYBOIE-LBPRGKRZSA-N 1 2 276.808 1.848 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](CC(C)C)OC ZINC001418496938 973904671 /nfs/dbraw/zinc/90/46/71/973904671.db2.gz NDPDUKSBDYBOIE-LBPRGKRZSA-N 1 2 276.808 1.848 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H](CC)OC)C1CC1 ZINC001377521506 975061844 /nfs/dbraw/zinc/06/18/44/975061844.db2.gz UGPSMKCAWKQAAH-GFCCVEGCSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H](CC)OC)C1CC1 ZINC001377521506 975061847 /nfs/dbraw/zinc/06/18/47/975061847.db2.gz UGPSMKCAWKQAAH-GFCCVEGCSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C1=COCCO1 ZINC001377990235 975196756 /nfs/dbraw/zinc/19/67/56/975196756.db2.gz QDCQOHLQWHNFAH-JTQLQIEISA-N 1 2 274.748 1.064 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C1=COCCO1 ZINC001377990235 975196757 /nfs/dbraw/zinc/19/67/57/975196757.db2.gz QDCQOHLQWHNFAH-JTQLQIEISA-N 1 2 274.748 1.064 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCOC1 ZINC001379025665 975602989 /nfs/dbraw/zinc/60/29/89/975602989.db2.gz KSJAWMXECUGCET-GFCCVEGCSA-N 1 2 274.792 1.556 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCOC1 ZINC001379025665 975602995 /nfs/dbraw/zinc/60/29/95/975602995.db2.gz KSJAWMXECUGCET-GFCCVEGCSA-N 1 2 274.792 1.556 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@H](C)n1cccn1 ZINC001406160966 976074085 /nfs/dbraw/zinc/07/40/85/976074085.db2.gz UESLGJNQHCUPAM-ZDUSSCGKSA-N 1 2 298.818 1.977 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@H](C)n1cccn1 ZINC001406160966 976074100 /nfs/dbraw/zinc/07/41/00/976074100.db2.gz UESLGJNQHCUPAM-ZDUSSCGKSA-N 1 2 298.818 1.977 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)Cn2nccc2C)C1 ZINC001402133155 976138863 /nfs/dbraw/zinc/13/88/63/976138863.db2.gz INANMORHPCTJOQ-AWEZNQCLSA-N 1 2 296.802 1.525 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)Cn2nccc2C)C1 ZINC001402133155 976138867 /nfs/dbraw/zinc/13/88/67/976138867.db2.gz INANMORHPCTJOQ-AWEZNQCLSA-N 1 2 296.802 1.525 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC001406627069 976315395 /nfs/dbraw/zinc/31/53/95/976315395.db2.gz YKDYVPFKTIHTQL-SNVBAGLBSA-N 1 2 280.759 1.689 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC001406627069 976315408 /nfs/dbraw/zinc/31/54/08/976315408.db2.gz YKDYVPFKTIHTQL-SNVBAGLBSA-N 1 2 280.759 1.689 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1F ZINC001390741676 976475021 /nfs/dbraw/zinc/47/50/21/976475021.db2.gz KTRWACWHJKFNEQ-JTQLQIEISA-N 1 2 281.306 1.672 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1F ZINC001390741676 976475029 /nfs/dbraw/zinc/47/50/29/976475029.db2.gz KTRWACWHJKFNEQ-JTQLQIEISA-N 1 2 281.306 1.672 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1snnc1C ZINC001390872037 976573488 /nfs/dbraw/zinc/57/34/88/976573488.db2.gz CJBGSLYMGQCMQQ-UHFFFAOYSA-N 1 2 288.804 1.651 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1snnc1C ZINC001390872037 976573501 /nfs/dbraw/zinc/57/35/01/976573501.db2.gz CJBGSLYMGQCMQQ-UHFFFAOYSA-N 1 2 288.804 1.651 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)Cc2cc[nH]n2)C1 ZINC001407208820 976604498 /nfs/dbraw/zinc/60/44/98/976604498.db2.gz RVCGERMILSVHQQ-CYBMUJFWSA-N 1 2 282.775 1.285 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)Cc2cc[nH]n2)C1 ZINC001407208820 976604504 /nfs/dbraw/zinc/60/45/04/976604504.db2.gz RVCGERMILSVHQQ-CYBMUJFWSA-N 1 2 282.775 1.285 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CCc1cncn1C ZINC001390996292 976638947 /nfs/dbraw/zinc/63/89/47/976638947.db2.gz BRMFJQIQXQGXQT-UHFFFAOYSA-N 1 2 298.818 1.543 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CCc1cncn1C ZINC001390996292 976638954 /nfs/dbraw/zinc/63/89/54/976638954.db2.gz BRMFJQIQXQGXQT-UHFFFAOYSA-N 1 2 298.818 1.543 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)COC)C1 ZINC001391383861 976851607 /nfs/dbraw/zinc/85/16/07/976851607.db2.gz KDQYOBONCFOOMZ-GFCCVEGCSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)COC)C1 ZINC001391383861 976851617 /nfs/dbraw/zinc/85/16/17/976851617.db2.gz KDQYOBONCFOOMZ-GFCCVEGCSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CC2(O)CCC2)C1 ZINC001381772091 977012952 /nfs/dbraw/zinc/01/29/52/977012952.db2.gz CWYOELUSSJPWLP-NSHDSACASA-N 1 2 286.803 1.481 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001132662844 1163429216 /nfs/dbraw/zinc/42/92/16/1163429216.db2.gz KZQVJENKBXWCSA-CMPLNLGQSA-N 1 2 280.372 1.747 20 30 CDEDLO C=C1CCC(C(=O)NCC[NH2+]Cc2cnsn2)CC1 ZINC001133362533 1163655425 /nfs/dbraw/zinc/65/54/25/1163655425.db2.gz JRGRHMJCULMZGF-UHFFFAOYSA-N 1 2 280.397 1.490 20 30 CDEDLO C=CCCC1(C(=O)NCC[NH2+][C@@H](C)c2nc(C)no2)CC1 ZINC001133378997 1163662185 /nfs/dbraw/zinc/66/21/85/1163662185.db2.gz QLJMFCXNLYLUMP-NSHDSACASA-N 1 2 292.383 1.891 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001133380622 1163663505 /nfs/dbraw/zinc/66/35/05/1163663505.db2.gz KPGIYKSJRSCYRP-CQSZACIVSA-N 1 2 280.372 1.440 20 30 CDEDLO N#CCc1ccccc1C(=O)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000601019858 342458065 /nfs/dbraw/zinc/45/80/65/342458065.db2.gz HNVJMBNEOAHYNY-CYBMUJFWSA-N 1 2 280.331 1.694 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000586772258 342468332 /nfs/dbraw/zinc/46/83/32/342468332.db2.gz RIRFEGDHEHZLHG-CQSZACIVSA-N 1 2 259.309 1.611 20 30 CDEDLO COc1ccncc1C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000588203904 342494510 /nfs/dbraw/zinc/49/45/10/342494510.db2.gz TVQXMLIQHCHZKG-OAHLLOKOSA-N 1 2 288.395 1.756 20 30 CDEDLO Cc1ccc(OCC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1C ZINC000589827811 342514805 /nfs/dbraw/zinc/51/48/05/342514805.db2.gz MEWMCFQSWWWWKD-MRXNPFEDSA-N 1 2 289.379 1.642 20 30 CDEDLO Cc1noc([C@@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000590004548 342518899 /nfs/dbraw/zinc/51/88/99/342518899.db2.gz GWERCTGXGKVICL-ZWNOBZJWSA-N 1 2 299.334 1.859 20 30 CDEDLO Cc1noc([C@@H](C)[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000590004548 342518900 /nfs/dbraw/zinc/51/89/00/342518900.db2.gz GWERCTGXGKVICL-ZWNOBZJWSA-N 1 2 299.334 1.859 20 30 CDEDLO N#CCCCCS(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609465288 342571412 /nfs/dbraw/zinc/57/14/12/342571412.db2.gz JZEWPLTZKHTWGJ-ZDUSSCGKSA-N 1 2 296.396 1.544 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000068468670 342077840 /nfs/dbraw/zinc/07/78/40/342077840.db2.gz WLCNIKLVJJKRHH-UHFFFAOYSA-N 1 2 256.349 1.315 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1c1cc(C)no1 ZINC000047273480 342097792 /nfs/dbraw/zinc/09/77/92/342097792.db2.gz DJOTXWOQANNGBV-NSHDSACASA-N 1 2 292.339 1.132 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000047273480 342097793 /nfs/dbraw/zinc/09/77/93/342097793.db2.gz DJOTXWOQANNGBV-NSHDSACASA-N 1 2 292.339 1.132 20 30 CDEDLO N#Cc1c(Cl)nsc1NC1CC[NH+](CC(N)=O)CC1 ZINC000047405345 342098602 /nfs/dbraw/zinc/09/86/02/342098602.db2.gz JTJZASCRPBXUMP-UHFFFAOYSA-N 1 2 299.787 1.030 20 30 CDEDLO COCC#CC[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000591046287 342616045 /nfs/dbraw/zinc/61/60/45/342616045.db2.gz ZADKBZWQKCYIEL-LBPRGKRZSA-N 1 2 267.369 1.831 20 30 CDEDLO COCC#CC[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000591046287 342616046 /nfs/dbraw/zinc/61/60/46/342616046.db2.gz ZADKBZWQKCYIEL-LBPRGKRZSA-N 1 2 267.369 1.831 20 30 CDEDLO N#CC[C@@H]1CC[C@H](Nc2nc[nH+]c3c2OCCN3)C1 ZINC000591164225 342620454 /nfs/dbraw/zinc/62/04/54/342620454.db2.gz QDRWQWVDBGWYNH-UWVGGRQHSA-N 1 2 259.313 1.775 20 30 CDEDLO N#CC[C@@H]1CC[C@H](Nc2[nH+]cnc3c2OCCN3)C1 ZINC000591164225 342620455 /nfs/dbraw/zinc/62/04/55/342620455.db2.gz QDRWQWVDBGWYNH-UWVGGRQHSA-N 1 2 259.313 1.775 20 30 CDEDLO N#C[C@H](c1ccc(F)cc1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000611552043 346822355 /nfs/dbraw/zinc/82/23/55/346822355.db2.gz NPMIUYIREGMBJS-OAHLLOKOSA-N 1 2 299.353 1.931 20 30 CDEDLO N#CCCC1CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000591889679 342653209 /nfs/dbraw/zinc/65/32/09/342653209.db2.gz GLPJHJAMYVPJQU-UHFFFAOYSA-N 1 2 289.383 1.999 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000592147694 342668022 /nfs/dbraw/zinc/66/80/22/342668022.db2.gz NOOXMWSHDGDFIA-AWEZNQCLSA-N 1 2 273.292 1.785 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000592147694 342668023 /nfs/dbraw/zinc/66/80/23/342668023.db2.gz NOOXMWSHDGDFIA-AWEZNQCLSA-N 1 2 273.292 1.785 20 30 CDEDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149957 342668745 /nfs/dbraw/zinc/66/87/45/342668745.db2.gz AFAKQFYEBUZXQH-IJEWVQPXSA-N 1 2 293.411 1.374 20 30 CDEDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149957 342668746 /nfs/dbraw/zinc/66/87/46/342668746.db2.gz AFAKQFYEBUZXQH-IJEWVQPXSA-N 1 2 293.411 1.374 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000592152360 342669437 /nfs/dbraw/zinc/66/94/37/342669437.db2.gz WHSJMELCKFMAGZ-AWEZNQCLSA-N 1 2 259.284 1.548 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000592152360 342669439 /nfs/dbraw/zinc/66/94/39/342669439.db2.gz WHSJMELCKFMAGZ-AWEZNQCLSA-N 1 2 259.284 1.548 20 30 CDEDLO C[C@H](CC(=O)N1CC[C@](F)(C#N)C1)n1cc[nH+]c1 ZINC000593135804 342773006 /nfs/dbraw/zinc/77/30/06/342773006.db2.gz HODSBCFVQCBFQO-PWSUYJOCSA-N 1 2 250.277 1.298 20 30 CDEDLO CC[C@@H](C#N)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000593394837 342794578 /nfs/dbraw/zinc/79/45/78/342794578.db2.gz TWPNNZVROVIKLB-ZDUSSCGKSA-N 1 2 272.352 1.848 20 30 CDEDLO CCCC(C)(C)C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N ZINC000593893621 342846192 /nfs/dbraw/zinc/84/61/92/342846192.db2.gz LNWMKMVSQMOLPW-UHFFFAOYSA-N 1 2 291.399 1.620 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1ccccc1C ZINC000594011628 342862020 /nfs/dbraw/zinc/86/20/20/342862020.db2.gz DYFJRZJRNPQJGG-AWEZNQCLSA-N 1 2 259.353 1.893 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)nc1 ZINC000594013920 342865576 /nfs/dbraw/zinc/86/55/76/342865576.db2.gz HBFDAKVSGPWAPD-ZDUSSCGKSA-N 1 2 278.306 1.478 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)nc1 ZINC000594013920 342865577 /nfs/dbraw/zinc/86/55/77/342865577.db2.gz HBFDAKVSGPWAPD-ZDUSSCGKSA-N 1 2 278.306 1.478 20 30 CDEDLO Cc1noc(C[N@H+](C)CCOc2ccc(C#N)cc2)n1 ZINC000594052878 342872457 /nfs/dbraw/zinc/87/24/57/342872457.db2.gz ISUWUFIKTBKAON-UHFFFAOYSA-N 1 2 272.308 1.761 20 30 CDEDLO Cc1noc(C[N@@H+](C)CCOc2ccc(C#N)cc2)n1 ZINC000594052878 342872459 /nfs/dbraw/zinc/87/24/59/342872459.db2.gz ISUWUFIKTBKAON-UHFFFAOYSA-N 1 2 272.308 1.761 20 30 CDEDLO CC[C@]1(C)COCC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000331808537 529408884 /nfs/dbraw/zinc/40/88/84/529408884.db2.gz GFOWTTYFAJNAIK-HUUCEWRRSA-N 1 2 279.384 1.296 20 30 CDEDLO CC[C@]1(C)COCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000331808537 529408888 /nfs/dbraw/zinc/40/88/88/529408888.db2.gz GFOWTTYFAJNAIK-HUUCEWRRSA-N 1 2 279.384 1.296 20 30 CDEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCCCCC#N ZINC000588661059 342218534 /nfs/dbraw/zinc/21/85/34/342218534.db2.gz XFWIHHNLPIZNNM-LBPRGKRZSA-N 1 2 292.339 1.084 20 30 CDEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCCCCC#N ZINC000588661059 342218535 /nfs/dbraw/zinc/21/85/35/342218535.db2.gz XFWIHHNLPIZNNM-LBPRGKRZSA-N 1 2 292.339 1.084 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000450164704 539082599 /nfs/dbraw/zinc/08/25/99/539082599.db2.gz WHCUNTLLGHFYIJ-OLZOCXBDSA-N 1 2 263.341 1.323 20 30 CDEDLO Cc1c[nH+]c(CCNc2ncc([N+](=O)[O-])cc2C#N)c(C)c1 ZINC000594596228 342923840 /nfs/dbraw/zinc/92/38/40/342923840.db2.gz QMVPBUFHCBPBBW-UHFFFAOYSA-N 1 2 297.318 1.950 20 30 CDEDLO C=CCOc1ccccc1C[NH2+]Cc1ncnn1C ZINC000389381364 342274912 /nfs/dbraw/zinc/27/49/12/342274912.db2.gz KXBLDPJXTZMOGH-UHFFFAOYSA-N 1 2 258.325 1.670 20 30 CDEDLO C[N@H+](CCO)Cc1cn(CC2(C#N)CCCCC2)nn1 ZINC000594657618 342935831 /nfs/dbraw/zinc/93/58/31/342935831.db2.gz CSVDFDLAKDFYEB-UHFFFAOYSA-N 1 2 277.372 1.176 20 30 CDEDLO C[N@@H+](CCO)Cc1cn(CC2(C#N)CCCCC2)nn1 ZINC000594657618 342935832 /nfs/dbraw/zinc/93/58/32/342935832.db2.gz CSVDFDLAKDFYEB-UHFFFAOYSA-N 1 2 277.372 1.176 20 30 CDEDLO Cc1nc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)ccc1C#N ZINC000075848744 342315112 /nfs/dbraw/zinc/31/51/12/342315112.db2.gz LDDIEKRUCVXOCU-JTQLQIEISA-N 1 2 269.308 1.277 20 30 CDEDLO C=C(Cl)CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000076978264 342326270 /nfs/dbraw/zinc/32/62/70/342326270.db2.gz HZMYOHNKYPASIW-QWRGUYRKSA-N 1 2 275.780 1.147 20 30 CDEDLO C=CCC1(C(=O)N2CC[NH+](CCO)CC2)CCCCC1 ZINC000448673200 362081385 /nfs/dbraw/zinc/08/13/85/362081385.db2.gz OMGGFQSVOVVHQY-UHFFFAOYSA-N 1 2 280.412 1.650 20 30 CDEDLO Cc1ccc([C@@H](CNC(=O)CC#N)[NH+]2CCOCC2)cc1 ZINC000132340135 342357190 /nfs/dbraw/zinc/35/71/90/342357190.db2.gz HMUHGNMIXXPLNV-OAHLLOKOSA-N 1 2 287.363 1.398 20 30 CDEDLO Cn1c2ccccc2[nH+]c1CCCNc1cc(C#N)cnn1 ZINC000596147521 343243984 /nfs/dbraw/zinc/24/39/84/343243984.db2.gz RKZWATNETTWDAX-UHFFFAOYSA-N 1 2 292.346 1.702 20 30 CDEDLO N#CC[C@@H]1CCCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000596328973 343304447 /nfs/dbraw/zinc/30/44/47/343304447.db2.gz BHQKSACKAZCPJI-LBPRGKRZSA-N 1 2 268.324 1.792 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)[nH]1 ZINC000131787267 136389257 /nfs/dbraw/zinc/38/92/57/136389257.db2.gz UVMKNGPFBZQPKN-UHFFFAOYSA-N 1 2 281.319 1.244 20 30 CDEDLO COc1cc(C#N)ccc1C[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000535753409 282279049 /nfs/dbraw/zinc/27/90/49/282279049.db2.gz CZAHRPJPGPERKX-UHFFFAOYSA-N 1 2 299.374 1.621 20 30 CDEDLO C[C@@H](C#N)C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000597642093 343589760 /nfs/dbraw/zinc/58/97/60/343589760.db2.gz TXEVULFXLLKKBB-LBPRGKRZSA-N 1 2 292.408 1.767 20 30 CDEDLO CC1(C)C[C@]1(C#N)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000597669642 343601484 /nfs/dbraw/zinc/60/14/84/343601484.db2.gz CPEONAHJOLFYJR-IINYFYTJSA-N 1 2 258.325 1.254 20 30 CDEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000081039431 346962503 /nfs/dbraw/zinc/96/25/03/346962503.db2.gz RFTAGDCRECMFGJ-NSHDSACASA-N 1 2 268.361 1.092 20 30 CDEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000081039431 346962505 /nfs/dbraw/zinc/96/25/05/346962505.db2.gz RFTAGDCRECMFGJ-NSHDSACASA-N 1 2 268.361 1.092 20 30 CDEDLO C=C[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)C(=O)OC ZINC000619703648 349860310 /nfs/dbraw/zinc/86/03/10/349860310.db2.gz PWESMZMNKLFQRA-OUCADQQQSA-N 1 2 253.342 1.509 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000619719796 349869446 /nfs/dbraw/zinc/86/94/46/349869446.db2.gz FCPIWLJQNLSYBA-OCCSQVGLSA-N 1 2 283.368 1.232 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+](C)C[C@H](C)c1nccs1 ZINC000619720562 349870465 /nfs/dbraw/zinc/87/04/65/349870465.db2.gz QRFOBTUBLFMNBO-UWVGGRQHSA-N 1 2 254.355 1.906 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)C[C@H](C)c1nccs1 ZINC000619720562 349870467 /nfs/dbraw/zinc/87/04/67/349870467.db2.gz QRFOBTUBLFMNBO-UWVGGRQHSA-N 1 2 254.355 1.906 20 30 CDEDLO Cc1nc([C@@H]2C[N@H+](C[C@H](O)CC(C)(C)C#N)CCO2)no1 ZINC000598591204 343837593 /nfs/dbraw/zinc/83/75/93/343837593.db2.gz WHITYYHNLJZOMJ-NEPJUHHUSA-N 1 2 294.355 1.052 20 30 CDEDLO Cc1nc([C@@H]2C[N@@H+](C[C@H](O)CC(C)(C)C#N)CCO2)no1 ZINC000598591204 343837595 /nfs/dbraw/zinc/83/75/95/343837595.db2.gz WHITYYHNLJZOMJ-NEPJUHHUSA-N 1 2 294.355 1.052 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000598727103 343886282 /nfs/dbraw/zinc/88/62/82/343886282.db2.gz CJYBPUGXYLIUBV-AWEZNQCLSA-N 1 2 299.378 1.658 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1Cc2ccc(O)cc2C1 ZINC000599538753 344087178 /nfs/dbraw/zinc/08/71/78/344087178.db2.gz RQSYJYBKHGJOJZ-LLVKDONJSA-N 1 2 273.336 1.468 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1Cc2ccc(O)cc2C1 ZINC000599538753 344087179 /nfs/dbraw/zinc/08/71/79/344087179.db2.gz RQSYJYBKHGJOJZ-LLVKDONJSA-N 1 2 273.336 1.468 20 30 CDEDLO C=C(CC)C[N@@H+]1C[C@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000599590515 344087849 /nfs/dbraw/zinc/08/78/49/344087849.db2.gz NVGNUBDPAZQEGO-NEPJUHHUSA-N 1 2 269.341 1.379 20 30 CDEDLO C=C(CC)C[N@H+]1C[C@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000599590515 344087851 /nfs/dbraw/zinc/08/78/51/344087851.db2.gz NVGNUBDPAZQEGO-NEPJUHHUSA-N 1 2 269.341 1.379 20 30 CDEDLO Cc1c[nH]c(CN2CCN(Cc3ccccc3)[C@@H](C#N)C2)[nH+]1 ZINC000600107213 344173083 /nfs/dbraw/zinc/17/30/83/344173083.db2.gz SDSRKRVEKWKKOX-INIZCTEOSA-N 1 2 295.390 1.928 20 30 CDEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cn[nH]c1 ZINC000085825402 344161549 /nfs/dbraw/zinc/16/15/49/344161549.db2.gz PWEWOCGOZHIWHW-UHFFFAOYSA-N 1 2 297.362 1.788 20 30 CDEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cn[nH]c1 ZINC000085825402 344161550 /nfs/dbraw/zinc/16/15/50/344161550.db2.gz PWEWOCGOZHIWHW-UHFFFAOYSA-N 1 2 297.362 1.788 20 30 CDEDLO N#CC1(NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)CCC1 ZINC000602082855 344328424 /nfs/dbraw/zinc/32/84/24/344328424.db2.gz OQAUGGUYWSXLRD-UHFFFAOYSA-N 1 2 282.303 1.754 20 30 CDEDLO N#CCC[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000573677093 334955270 /nfs/dbraw/zinc/95/52/70/334955270.db2.gz SEOYCGUSQJUDTJ-LBPRGKRZSA-N 1 2 263.728 1.949 20 30 CDEDLO CO[C@@]1(C[N@H+](CCC#N)Cc2ccccn2)CCOC1 ZINC000602466056 344425953 /nfs/dbraw/zinc/42/59/53/344425953.db2.gz VOCPUJZHLOUWNV-OAHLLOKOSA-N 1 2 275.352 1.603 20 30 CDEDLO CO[C@@]1(C[N@@H+](CCC#N)Cc2ccccn2)CCOC1 ZINC000602466056 344425955 /nfs/dbraw/zinc/42/59/55/344425955.db2.gz VOCPUJZHLOUWNV-OAHLLOKOSA-N 1 2 275.352 1.603 20 30 CDEDLO Cn1cc(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)cn1 ZINC000361017699 362412308 /nfs/dbraw/zinc/41/23/08/362412308.db2.gz OPERXERYIKGYBS-UHFFFAOYSA-N 1 2 299.353 1.753 20 30 CDEDLO CCOC(=O)[C@@H]([NH2+]CC1(CC#N)CC1)C1CCOCC1 ZINC000602811004 344603683 /nfs/dbraw/zinc/60/36/83/344603683.db2.gz VMIFVWTTXPCJAY-ZDUSSCGKSA-N 1 2 280.368 1.628 20 30 CDEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CC1(CC#N)CC1 ZINC000602853450 344628238 /nfs/dbraw/zinc/62/82/38/344628238.db2.gz YXEJXLXPGFAFPE-HNNXBMFYSA-N 1 2 283.375 1.853 20 30 CDEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CC1(CC#N)CC1 ZINC000602853450 344628240 /nfs/dbraw/zinc/62/82/40/344628240.db2.gz YXEJXLXPGFAFPE-HNNXBMFYSA-N 1 2 283.375 1.853 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(C)C1CCC(C)CC1 ZINC000602864109 344637577 /nfs/dbraw/zinc/63/75/77/344637577.db2.gz QDGSEOFZNWUKDQ-CPCZMJQVSA-N 1 2 251.374 1.915 20 30 CDEDLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N)c(OC)c1 ZINC000602864125 344637784 /nfs/dbraw/zinc/63/77/84/344637784.db2.gz QUFIDRWXPBCOHF-QWRGUYRKSA-N 1 2 291.351 1.923 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1cc(F)ccc1F ZINC000602865129 344638358 /nfs/dbraw/zinc/63/83/58/344638358.db2.gz WKKWTNVKGSFRLP-MRVPVSSYSA-N 1 2 253.252 1.795 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000602870878 344641123 /nfs/dbraw/zinc/64/11/23/344641123.db2.gz YBDRPYDZNBSUCL-LBPRGKRZSA-N 1 2 296.374 1.944 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000602870446 344641202 /nfs/dbraw/zinc/64/12/02/344641202.db2.gz UDBJZRCQJFONTP-LLVKDONJSA-N 1 2 288.351 1.219 20 30 CDEDLO C[C@H](NC(=O)C1(C#N)CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000408078427 260217632 /nfs/dbraw/zinc/21/76/32/260217632.db2.gz CFEYRMGEXWEEJB-STQMWFEESA-N 1 2 279.384 1.296 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cccc(C)n2)C1=O ZINC000337178122 345064828 /nfs/dbraw/zinc/06/48/28/345064828.db2.gz KGSFHLDVFMBYOT-AWEZNQCLSA-N 1 2 259.353 1.609 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cccc(C)n2)C1=O ZINC000337178122 345064829 /nfs/dbraw/zinc/06/48/29/345064829.db2.gz KGSFHLDVFMBYOT-AWEZNQCLSA-N 1 2 259.353 1.609 20 30 CDEDLO C#CCCOc1ccc(C[N@H+]2CCN(C)C(=O)C2)cc1 ZINC000127371111 187300423 /nfs/dbraw/zinc/30/04/23/187300423.db2.gz TYBSZQDHXOUROU-UHFFFAOYSA-N 1 2 272.348 1.363 20 30 CDEDLO C#CCCOc1ccc(C[N@@H+]2CCN(C)C(=O)C2)cc1 ZINC000127371111 187300424 /nfs/dbraw/zinc/30/04/24/187300424.db2.gz TYBSZQDHXOUROU-UHFFFAOYSA-N 1 2 272.348 1.363 20 30 CDEDLO N#CCC1(C[NH+]2CCN(c3nccs3)CC2)CC1 ZINC000088259228 346035966 /nfs/dbraw/zinc/03/59/66/346035966.db2.gz HHQNQUKKMAHJQM-UHFFFAOYSA-N 1 2 262.382 1.959 20 30 CDEDLO CC(C)(C)OC(=O)[C@H]1C[N@H+](CCCC#N)CCO1 ZINC000610452981 346284445 /nfs/dbraw/zinc/28/44/45/346284445.db2.gz YFEZFBBUSFTUSD-LLVKDONJSA-N 1 2 254.330 1.333 20 30 CDEDLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](CCCC#N)CCO1 ZINC000610452981 346284446 /nfs/dbraw/zinc/28/44/46/346284446.db2.gz YFEZFBBUSFTUSD-LLVKDONJSA-N 1 2 254.330 1.333 20 30 CDEDLO COC(=O)[C@@H](C)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000265993696 362695881 /nfs/dbraw/zinc/69/58/81/362695881.db2.gz KPJYSAWKIWTCGB-LLVKDONJSA-N 1 2 262.309 1.430 20 30 CDEDLO COC(=O)[C@@H](C)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000265993696 362695885 /nfs/dbraw/zinc/69/58/85/362695885.db2.gz KPJYSAWKIWTCGB-LLVKDONJSA-N 1 2 262.309 1.430 20 30 CDEDLO N#CCc1ccnc(NC(=O)CCCn2cc[nH+]c2)c1 ZINC000610791502 346419479 /nfs/dbraw/zinc/41/94/79/346419479.db2.gz XUILUIHFBXGIPI-UHFFFAOYSA-N 1 2 269.308 1.763 20 30 CDEDLO Cc1cc(N2CCC[C@@H](S(C)(=O)=O)CC2)c(C#N)c[nH+]1 ZINC000584835497 346450104 /nfs/dbraw/zinc/45/01/04/346450104.db2.gz FRMCKIXXBOBDBY-CYBMUJFWSA-N 1 2 293.392 1.665 20 30 CDEDLO C=CCC[C@@H](NCc1[nH+]cc(C)n1C)C(=O)OCC ZINC000449657199 362763969 /nfs/dbraw/zinc/76/39/69/362763969.db2.gz OABKZNKWMMHLDH-GFCCVEGCSA-N 1 2 265.357 1.716 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNc2nc3c(cc2C#N)CCC3)C1 ZINC000112012729 365851606 /nfs/dbraw/zinc/85/16/06/365851606.db2.gz AFDAIGKOQAEHJD-CYBMUJFWSA-N 1 2 272.352 1.184 20 30 CDEDLO C[N@H+]1CCO[C@H](CNc2nc3c(cc2C#N)CCC3)C1 ZINC000112012729 365851610 /nfs/dbraw/zinc/85/16/10/365851610.db2.gz AFDAIGKOQAEHJD-CYBMUJFWSA-N 1 2 272.352 1.184 20 30 CDEDLO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@]1(C#N)C[C@@H]1C ZINC000449933476 362781970 /nfs/dbraw/zinc/78/19/70/362781970.db2.gz BLFRHGNXLDVXHR-SMDDNHRTSA-N 1 2 260.341 1.705 20 30 CDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000450211499 362803891 /nfs/dbraw/zinc/80/38/91/362803891.db2.gz PYYRJOLHAQSFDJ-XUJVJEKNSA-N 1 2 270.336 1.326 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000086233368 179254307 /nfs/dbraw/zinc/25/43/07/179254307.db2.gz BRPXSFCIRSMLGF-NSHDSACASA-N 1 2 291.351 1.817 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000086233368 179254310 /nfs/dbraw/zinc/25/43/10/179254310.db2.gz BRPXSFCIRSMLGF-NSHDSACASA-N 1 2 291.351 1.817 20 30 CDEDLO C#CCn1ccc(CN(CC)c2nc(C)[nH+]c(N(C)C)n2)n1 ZINC000491656484 347585396 /nfs/dbraw/zinc/58/53/96/347585396.db2.gz BLNDFKJRVSBNKG-UHFFFAOYSA-N 1 2 299.382 1.102 20 30 CDEDLO C#CCn1ccc(CN(CC)c2nc(N(C)C)nc(C)[nH+]2)n1 ZINC000491656484 347585400 /nfs/dbraw/zinc/58/54/00/347585400.db2.gz BLNDFKJRVSBNKG-UHFFFAOYSA-N 1 2 299.382 1.102 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)nn1 ZINC000653760324 412539226 /nfs/dbraw/zinc/53/92/26/412539226.db2.gz RLHFKGIAERJHEA-OCCSQVGLSA-N 1 2 262.357 1.465 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)nn1 ZINC000653760324 412539231 /nfs/dbraw/zinc/53/92/31/412539231.db2.gz RLHFKGIAERJHEA-OCCSQVGLSA-N 1 2 262.357 1.465 20 30 CDEDLO C=C[C@H](C(=O)OC)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000619718825 348189466 /nfs/dbraw/zinc/18/94/66/348189466.db2.gz AEJXFAALBXSRLK-CYBMUJFWSA-N 1 2 275.352 1.240 20 30 CDEDLO Cc1ccc(SC[C@H](O)C[N@H+](C)CCC#N)nc1 ZINC000414128535 362921259 /nfs/dbraw/zinc/92/12/59/362921259.db2.gz GYUOEMDBGGUSMX-GFCCVEGCSA-N 1 2 265.382 1.689 20 30 CDEDLO Cc1ccc(SC[C@H](O)C[N@@H+](C)CCC#N)nc1 ZINC000414128535 362921263 /nfs/dbraw/zinc/92/12/63/362921263.db2.gz GYUOEMDBGGUSMX-GFCCVEGCSA-N 1 2 265.382 1.689 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000066470229 348984606 /nfs/dbraw/zinc/98/46/06/348984606.db2.gz DMQWYSHMEQECFQ-RYUDHWBXSA-N 1 2 294.399 1.625 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000066470229 348984610 /nfs/dbraw/zinc/98/46/10/348984610.db2.gz DMQWYSHMEQECFQ-RYUDHWBXSA-N 1 2 294.399 1.625 20 30 CDEDLO CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602438564 350109431 /nfs/dbraw/zinc/10/94/31/350109431.db2.gz FPGRLYNYLVOANV-ZDUSSCGKSA-N 1 2 258.325 1.054 20 30 CDEDLO CC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602438564 350109434 /nfs/dbraw/zinc/10/94/34/350109434.db2.gz FPGRLYNYLVOANV-ZDUSSCGKSA-N 1 2 258.325 1.054 20 30 CDEDLO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602636069 350134230 /nfs/dbraw/zinc/13/42/30/350134230.db2.gz DXHYQBUQQYDHOX-AWEZNQCLSA-N 1 2 293.392 1.352 20 30 CDEDLO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602636069 350134233 /nfs/dbraw/zinc/13/42/33/350134233.db2.gz DXHYQBUQQYDHOX-AWEZNQCLSA-N 1 2 293.392 1.352 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCCN(CC(F)F)CC2)n1 ZINC000602666629 350139322 /nfs/dbraw/zinc/13/93/22/350139322.db2.gz MHGUBMPHCPSWFG-UHFFFAOYSA-N 1 2 280.322 1.726 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCCN(CC(F)F)CC2)n1 ZINC000602666629 350139324 /nfs/dbraw/zinc/13/93/24/350139324.db2.gz MHGUBMPHCPSWFG-UHFFFAOYSA-N 1 2 280.322 1.726 20 30 CDEDLO Cc1cc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)ncc1C#N ZINC000603121338 350208367 /nfs/dbraw/zinc/20/83/67/350208367.db2.gz TXNXBIWODDIEON-LLVKDONJSA-N 1 2 284.323 1.090 20 30 CDEDLO C=C[C@H](CO)NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000620591816 350269415 /nfs/dbraw/zinc/26/94/15/350269415.db2.gz UNLJEYMALIVKNJ-RKDXNWHRSA-N 1 2 291.273 1.119 20 30 CDEDLO C=CC[N@@H+](C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000271542203 191202156 /nfs/dbraw/zinc/20/21/56/191202156.db2.gz ZBBPHXFWILJTSF-HNNXBMFYSA-N 1 2 295.404 1.774 20 30 CDEDLO C=CC[N@H+](C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000271542203 191202159 /nfs/dbraw/zinc/20/21/59/191202159.db2.gz ZBBPHXFWILJTSF-HNNXBMFYSA-N 1 2 295.404 1.774 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152914649 188052517 /nfs/dbraw/zinc/05/25/17/188052517.db2.gz IIIUOWILIIVHMH-UONOGXRCSA-N 1 2 289.379 1.758 20 30 CDEDLO C=C(C)CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000156627439 188272723 /nfs/dbraw/zinc/27/27/23/188272723.db2.gz GWICSCRMHZPANI-LBPRGKRZSA-N 1 2 260.341 1.536 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2cccc(F)c2C1 ZINC000157984039 188351111 /nfs/dbraw/zinc/35/11/11/188351111.db2.gz WQFRSJPLVPQWGS-UHFFFAOYSA-N 1 2 289.354 1.946 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2cccc(F)c2C1 ZINC000157984039 188351113 /nfs/dbraw/zinc/35/11/13/188351113.db2.gz WQFRSJPLVPQWGS-UHFFFAOYSA-N 1 2 289.354 1.946 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000292707586 198383994 /nfs/dbraw/zinc/38/39/94/198383994.db2.gz DTKMZJWKMNKBRY-UHFFFAOYSA-N 1 2 290.363 1.353 20 30 CDEDLO C=CC1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000336287093 363297901 /nfs/dbraw/zinc/29/79/01/363297901.db2.gz AJNWUDIAWDCFGR-CYBMUJFWSA-N 1 2 265.401 1.047 20 30 CDEDLO Cn1nncc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000126918092 356161025 /nfs/dbraw/zinc/16/10/25/356161025.db2.gz HXGJXCXNNJMWRT-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000126936171 356176842 /nfs/dbraw/zinc/17/68/42/356176842.db2.gz NIKVHDNSCPDUGV-UHFFFAOYSA-N 1 2 297.358 1.966 20 30 CDEDLO CCNC(=O)C[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000233470875 356344431 /nfs/dbraw/zinc/34/44/31/356344431.db2.gz JOFSNKISEICBEK-UHFFFAOYSA-N 1 2 261.325 1.135 20 30 CDEDLO CCNC(=O)C[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000233470875 356344436 /nfs/dbraw/zinc/34/44/36/356344436.db2.gz JOFSNKISEICBEK-UHFFFAOYSA-N 1 2 261.325 1.135 20 30 CDEDLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000559289954 356534761 /nfs/dbraw/zinc/53/47/61/356534761.db2.gz GNRKWZDQCUPZPV-BMLIUANNSA-N 1 2 251.355 1.152 20 30 CDEDLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000559289954 356534764 /nfs/dbraw/zinc/53/47/64/356534764.db2.gz GNRKWZDQCUPZPV-BMLIUANNSA-N 1 2 251.355 1.152 20 30 CDEDLO N#CCC1(O)C[NH+](Cc2ccnc3ccccc23)C1 ZINC000530547776 356598939 /nfs/dbraw/zinc/59/89/39/356598939.db2.gz DKNZEUVHOIACNV-UHFFFAOYSA-N 1 2 253.305 1.695 20 30 CDEDLO Cc1cccc(/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000493422904 366355900 /nfs/dbraw/zinc/35/59/00/366355900.db2.gz QNWPPGCFSYQTNH-ROJDOSBLSA-N 1 2 271.364 1.968 20 30 CDEDLO N#Cc1ncn(CCNc2cc(N3CCCCC3)nc[nH+]2)n1 ZINC000286514773 356810045 /nfs/dbraw/zinc/81/00/45/356810045.db2.gz XLWYORTXSWEKKE-UHFFFAOYSA-N 1 2 298.354 1.042 20 30 CDEDLO N#Cc1ncn(CCNc2cc(N3CCCCC3)[nH+]cn2)n1 ZINC000286514773 356810047 /nfs/dbraw/zinc/81/00/47/356810047.db2.gz XLWYORTXSWEKKE-UHFFFAOYSA-N 1 2 298.354 1.042 20 30 CDEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nccc(N)n1 ZINC000344066948 356877469 /nfs/dbraw/zinc/87/74/69/356877469.db2.gz IFYVUGFLDKXOFU-UHFFFAOYSA-N 1 2 297.362 1.409 20 30 CDEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nccc(N)n1 ZINC000344066948 356877472 /nfs/dbraw/zinc/87/74/72/356877472.db2.gz IFYVUGFLDKXOFU-UHFFFAOYSA-N 1 2 297.362 1.409 20 30 CDEDLO CCc1ccc(/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C)o1 ZINC000493101452 358512810 /nfs/dbraw/zinc/51/28/10/358512810.db2.gz CNYWYWYRTROYHB-HVHJFMEUSA-N 1 2 275.352 1.815 20 30 CDEDLO C[C@@H]1OCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@H]1C ZINC000156559217 356963735 /nfs/dbraw/zinc/96/37/35/356963735.db2.gz HTCQPPDSQYZOAR-KBPBESRZSA-N 1 2 293.411 1.780 20 30 CDEDLO C[C@@H]1OCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@H]1C ZINC000156559217 356963741 /nfs/dbraw/zinc/96/37/41/356963741.db2.gz HTCQPPDSQYZOAR-KBPBESRZSA-N 1 2 293.411 1.780 20 30 CDEDLO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC000334555634 357602688 /nfs/dbraw/zinc/60/26/88/357602688.db2.gz PNYLVXZTAUZDHY-BTDLBPIBSA-N 1 2 268.407 1.963 20 30 CDEDLO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000334555634 357602696 /nfs/dbraw/zinc/60/26/96/357602696.db2.gz PNYLVXZTAUZDHY-BTDLBPIBSA-N 1 2 268.407 1.963 20 30 CDEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000189549303 358025172 /nfs/dbraw/zinc/02/51/72/358025172.db2.gz NGXLNAYWHWGZBH-KBPBESRZSA-N 1 2 274.320 1.057 20 30 CDEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000189549303 358025174 /nfs/dbraw/zinc/02/51/74/358025174.db2.gz NGXLNAYWHWGZBH-KBPBESRZSA-N 1 2 274.320 1.057 20 30 CDEDLO Cc1nsc(N2CC[NH+](C[C@H]3CCCO3)CC2)c1C#N ZINC000286981093 358062330 /nfs/dbraw/zinc/06/23/30/358062330.db2.gz OAQQWGUNXGNUOR-GFCCVEGCSA-N 1 2 292.408 1.624 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC000341694704 358790735 /nfs/dbraw/zinc/79/07/35/358790735.db2.gz UJXCWSHVTNLRDM-LBPRGKRZSA-N 1 2 269.308 1.501 20 30 CDEDLO C[C@@H](C#N)OCC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000495589951 366529385 /nfs/dbraw/zinc/52/93/85/366529385.db2.gz QTKYUOAIDXQFNO-OLZOCXBDSA-N 1 2 297.399 1.856 20 30 CDEDLO C[C@@H](C#N)OCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000495589951 366529391 /nfs/dbraw/zinc/52/93/91/366529391.db2.gz QTKYUOAIDXQFNO-OLZOCXBDSA-N 1 2 297.399 1.856 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cccc(C#N)c1C ZINC000338226061 359104200 /nfs/dbraw/zinc/10/42/00/359104200.db2.gz MCHUGSWWLFZEML-UHFFFAOYSA-N 1 2 254.293 1.828 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cccc(C#N)c1 ZINC000046885733 359174296 /nfs/dbraw/zinc/17/42/96/359174296.db2.gz SQUFCOZBPSOKDK-LBPRGKRZSA-N 1 2 273.336 1.009 20 30 CDEDLO N#Cc1ccc(Cl)cc1N1CCC[N@@H+](CC(N)=O)CC1 ZINC000365271135 359220196 /nfs/dbraw/zinc/22/01/96/359220196.db2.gz VPHFDCBNILXIPF-UHFFFAOYSA-N 1 2 292.770 1.209 20 30 CDEDLO N#Cc1ccc(Cl)cc1N1CCC[N@H+](CC(N)=O)CC1 ZINC000365271135 359220201 /nfs/dbraw/zinc/22/02/01/359220201.db2.gz VPHFDCBNILXIPF-UHFFFAOYSA-N 1 2 292.770 1.209 20 30 CDEDLO C=C1CC[NH+](CC(=O)N[C@H](C)C(=O)N2CCCCC2)CC1 ZINC000264448749 359309604 /nfs/dbraw/zinc/30/96/04/359309604.db2.gz HQVIFBDRRMWVIF-CQSZACIVSA-N 1 2 293.411 1.156 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C(C)C)no2)CC1 ZINC000265080748 359321335 /nfs/dbraw/zinc/32/13/35/359321335.db2.gz WRGJQMVUNLAKMA-UHFFFAOYSA-N 1 2 275.352 1.579 20 30 CDEDLO CC#CCNC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000270730684 359409265 /nfs/dbraw/zinc/40/92/65/359409265.db2.gz QXSVTPVGUNMKEC-UHFFFAOYSA-N 1 2 294.424 1.218 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCc1ccccc1C)C1CC1 ZINC000274008176 359488761 /nfs/dbraw/zinc/48/87/61/359488761.db2.gz AIPHOZOZYQNYOQ-UHFFFAOYSA-N 1 2 256.349 1.709 20 30 CDEDLO C#CC[N@H+](CC(=O)NCc1ccccc1C)C1CC1 ZINC000274008176 359488768 /nfs/dbraw/zinc/48/87/68/359488768.db2.gz AIPHOZOZYQNYOQ-UHFFFAOYSA-N 1 2 256.349 1.709 20 30 CDEDLO C#CC[N@@H+](CC(=O)N(C)Cc1cccc(OC)c1)C1CC1 ZINC000274185252 359492133 /nfs/dbraw/zinc/49/21/33/359492133.db2.gz PIIMSRRMEGMAPS-UHFFFAOYSA-N 1 2 286.375 1.751 20 30 CDEDLO C#CC[N@H+](CC(=O)N(C)Cc1cccc(OC)c1)C1CC1 ZINC000274185252 359492138 /nfs/dbraw/zinc/49/21/38/359492138.db2.gz PIIMSRRMEGMAPS-UHFFFAOYSA-N 1 2 286.375 1.751 20 30 CDEDLO C=CCC1(C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CCC1 ZINC000276911592 359551923 /nfs/dbraw/zinc/55/19/23/359551923.db2.gz PEVKREMQLRNTIX-UHFFFAOYSA-N 1 2 293.411 1.141 20 30 CDEDLO C#CCCCC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000276998123 359553277 /nfs/dbraw/zinc/55/32/77/359553277.db2.gz JNKAGEMGPZTJIU-UHFFFAOYSA-N 1 2 293.436 1.816 20 30 CDEDLO C=CCOCC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000531494290 359689070 /nfs/dbraw/zinc/68/90/70/359689070.db2.gz OECMWFLRPAOBEI-UHFFFAOYSA-N 1 2 290.363 1.239 20 30 CDEDLO C=CCCCCCN(C)C(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000297407095 200179289 /nfs/dbraw/zinc/17/92/89/200179289.db2.gz CPNDUYGSNCKYKN-UHFFFAOYSA-N 1 2 295.427 1.355 20 30 CDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1c[nH+]c[nH]1 ZINC000088753646 366556390 /nfs/dbraw/zinc/55/63/90/366556390.db2.gz UZBGAAMUDJFVIU-SNVBAGLBSA-N 1 2 270.292 1.365 20 30 CDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1c[nH]c[nH+]1 ZINC000088753646 366556394 /nfs/dbraw/zinc/55/63/94/366556394.db2.gz UZBGAAMUDJFVIU-SNVBAGLBSA-N 1 2 270.292 1.365 20 30 CDEDLO Cc1noc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n1 ZINC000348093341 359828252 /nfs/dbraw/zinc/82/82/52/359828252.db2.gz SODIEQQCBNWZAO-BFVZDQMLSA-N 1 2 293.371 1.472 20 30 CDEDLO CCN(CCC#N)S(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000336956576 359950565 /nfs/dbraw/zinc/95/05/65/359950565.db2.gz ZSESFTMGSRCARN-LLVKDONJSA-N 1 2 297.384 1.027 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCc3ncsc3C2)C1=O ZINC000337183371 360028412 /nfs/dbraw/zinc/02/84/12/360028412.db2.gz BTGAZOYDQWYZFB-LLVKDONJSA-N 1 2 263.366 1.288 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCc3ncsc3C2)C1=O ZINC000337183371 360028413 /nfs/dbraw/zinc/02/84/13/360028413.db2.gz BTGAZOYDQWYZFB-LLVKDONJSA-N 1 2 263.366 1.288 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000177068087 189025981 /nfs/dbraw/zinc/02/59/81/189025981.db2.gz XKSISVHTFLWUIV-UHFFFAOYSA-N 1 2 280.412 1.982 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000177068087 189025982 /nfs/dbraw/zinc/02/59/82/189025982.db2.gz XKSISVHTFLWUIV-UHFFFAOYSA-N 1 2 280.412 1.982 20 30 CDEDLO C=CC[NH+]1CCC(NC(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC000177348613 189044766 /nfs/dbraw/zinc/04/47/66/189044766.db2.gz KPPREPUHUWHUTJ-ZDUSSCGKSA-N 1 2 288.395 1.596 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(OC(F)F)c1 ZINC000515109680 360441720 /nfs/dbraw/zinc/44/17/20/360441720.db2.gz VKGRZGFZYDUEOO-AWEZNQCLSA-N 1 2 297.305 1.862 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(F)c2F)CC1 ZINC000085275094 360577507 /nfs/dbraw/zinc/57/75/07/360577507.db2.gz YHDMEYHCPAMTQV-UHFFFAOYSA-N 1 2 293.317 1.154 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC)CCO1 ZINC000179661087 189210942 /nfs/dbraw/zinc/21/09/42/189210942.db2.gz VHTHYHGMWMOVJT-AWEZNQCLSA-N 1 2 276.336 1.414 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC)CCO1 ZINC000179661087 189210943 /nfs/dbraw/zinc/21/09/43/189210943.db2.gz VHTHYHGMWMOVJT-AWEZNQCLSA-N 1 2 276.336 1.414 20 30 CDEDLO CC[N@H+](Cc1ccc(C#N)cn1)[C@@H](C)CS(C)(=O)=O ZINC000572493904 360953260 /nfs/dbraw/zinc/95/32/60/360953260.db2.gz FAABQEZZCSPNTO-NSHDSACASA-N 1 2 281.381 1.208 20 30 CDEDLO CC[N@@H+](Cc1ccc(C#N)cn1)[C@@H](C)CS(C)(=O)=O ZINC000572493904 360953266 /nfs/dbraw/zinc/95/32/66/360953266.db2.gz FAABQEZZCSPNTO-NSHDSACASA-N 1 2 281.381 1.208 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+](CC(N)=O)C(C)C ZINC000179654038 189210185 /nfs/dbraw/zinc/21/01/85/189210185.db2.gz APGYILAQFZNOLM-UHFFFAOYSA-N 1 2 261.325 1.263 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+](CC(N)=O)C(C)C ZINC000179654038 189210186 /nfs/dbraw/zinc/21/01/86/189210186.db2.gz APGYILAQFZNOLM-UHFFFAOYSA-N 1 2 261.325 1.263 20 30 CDEDLO C=CCCOCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000673841715 482854045 /nfs/dbraw/zinc/85/40/45/482854045.db2.gz FCRVFFXZEFYTHI-GFCCVEGCSA-N 1 2 251.330 1.228 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@H](c1nc(C2CC2)no1)C(C)C ZINC000179828840 189222763 /nfs/dbraw/zinc/22/27/63/189222763.db2.gz JSIBRKDMTAVPRV-LBPRGKRZSA-N 1 2 278.356 1.536 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@](C)(O)C1 ZINC000267615582 361229135 /nfs/dbraw/zinc/22/91/35/361229135.db2.gz OWSAFHMMZIERBE-ZFWWWQNUSA-N 1 2 274.320 1.229 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@](C)(O)C1 ZINC000267615582 361229137 /nfs/dbraw/zinc/22/91/37/361229137.db2.gz OWSAFHMMZIERBE-ZFWWWQNUSA-N 1 2 274.320 1.229 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCCc1[nH]cc[nH+]1 ZINC000437863775 361694128 /nfs/dbraw/zinc/69/41/28/361694128.db2.gz HTTUZXAWBPXUQC-CYBMUJFWSA-N 1 2 251.330 1.297 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCC(c3n[nH]c(=O)[nH]3)CC2)s1 ZINC000581555912 363999013 /nfs/dbraw/zinc/99/90/13/363999013.db2.gz BQNZYUUXHJEWMG-UHFFFAOYSA-N 1 2 289.364 1.823 20 30 CDEDLO N#Cc1nccc(NCCCCNc2cccc[nH+]2)n1 ZINC000575372458 364081573 /nfs/dbraw/zinc/08/15/73/364081573.db2.gz LIPAGJRBLOHLEQ-UHFFFAOYSA-N 1 2 268.324 1.469 20 30 CDEDLO C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C(F)(F)F ZINC000570849942 364031753 /nfs/dbraw/zinc/03/17/53/364031753.db2.gz SYSOQUOSYZZRCD-CBAPKCEASA-N 1 2 251.252 1.145 20 30 CDEDLO C=C(C)CN(CC)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170837112 364384261 /nfs/dbraw/zinc/38/42/61/364384261.db2.gz VNRNDWCNIPKANF-UHFFFAOYSA-N 1 2 283.416 1.705 20 30 CDEDLO C=C(C)CN(CC)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170837112 364384267 /nfs/dbraw/zinc/38/42/67/364384267.db2.gz VNRNDWCNIPKANF-UHFFFAOYSA-N 1 2 283.416 1.705 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCOCCC(C)C)nn1 ZINC000640988150 364796567 /nfs/dbraw/zinc/79/65/67/364796567.db2.gz GHEPXKZSUWJNPN-UHFFFAOYSA-N 1 2 264.373 1.454 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C[C@H](C)O1 ZINC000111274057 364950482 /nfs/dbraw/zinc/95/04/82/364950482.db2.gz OXGYAHCOWXKGTB-LNSITVRQSA-N 1 2 279.384 1.294 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C[C@H](C)O1 ZINC000111274057 364950489 /nfs/dbraw/zinc/95/04/89/364950489.db2.gz OXGYAHCOWXKGTB-LNSITVRQSA-N 1 2 279.384 1.294 20 30 CDEDLO N#CCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000170517891 365071888 /nfs/dbraw/zinc/07/18/88/365071888.db2.gz GKDJTMOYDLWIJB-UHFFFAOYSA-N 1 2 259.309 1.371 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)CCc2ccccc2)nn1 ZINC000641218465 365223807 /nfs/dbraw/zinc/22/38/07/365223807.db2.gz TXMUWOCPLONNMK-KRWDZBQOSA-N 1 2 298.390 1.385 20 30 CDEDLO C#CCOc1ccc(C[NH2+][C@H](C)c2ncn(C)n2)cc1 ZINC000275813564 193136252 /nfs/dbraw/zinc/13/62/52/193136252.db2.gz LVSRYGLJNFVZRS-GFCCVEGCSA-N 1 2 270.336 1.678 20 30 CDEDLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(F)cc1C#N ZINC000443070300 366956707 /nfs/dbraw/zinc/95/67/07/366956707.db2.gz QMLCKOQCOXQRRK-JTQLQIEISA-N 1 2 297.355 1.022 20 30 CDEDLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(F)cc1C#N ZINC000443070300 366956709 /nfs/dbraw/zinc/95/67/09/366956709.db2.gz QMLCKOQCOXQRRK-JTQLQIEISA-N 1 2 297.355 1.022 20 30 CDEDLO C[C@H](CNC(=O)c1c[nH]c(C#N)c1)Cn1cc[nH+]c1 ZINC000272026355 367056664 /nfs/dbraw/zinc/05/66/64/367056664.db2.gz SSKYMBBSESUAGQ-SNVBAGLBSA-N 1 2 257.297 1.149 20 30 CDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@]2(CCOC2)O1 ZINC000280111426 367263290 /nfs/dbraw/zinc/26/32/90/367263290.db2.gz AZWDJUKOTKMRMT-SMDDNHRTSA-N 1 2 278.377 2.000 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@]2(CCOC2)O1 ZINC000280111426 367263294 /nfs/dbraw/zinc/26/32/94/367263294.db2.gz AZWDJUKOTKMRMT-SMDDNHRTSA-N 1 2 278.377 2.000 20 30 CDEDLO C=CC[N@@H+](C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000637962752 367323192 /nfs/dbraw/zinc/32/31/92/367323192.db2.gz ONUQMKYEVFSQPE-OLZOCXBDSA-N 1 2 275.414 1.477 20 30 CDEDLO C=CC[N@H+](C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000637962752 367323195 /nfs/dbraw/zinc/32/31/95/367323195.db2.gz ONUQMKYEVFSQPE-OLZOCXBDSA-N 1 2 275.414 1.477 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1ccoc1 ZINC000358196230 367504554 /nfs/dbraw/zinc/50/45/54/367504554.db2.gz RGEKZJGMCUHFTO-GFCCVEGCSA-N 1 2 263.341 1.720 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccoc1 ZINC000358196230 367504560 /nfs/dbraw/zinc/50/45/60/367504560.db2.gz RGEKZJGMCUHFTO-GFCCVEGCSA-N 1 2 263.341 1.720 20 30 CDEDLO C=CCC1(C(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)OC)CCC1 ZINC000358646958 367842707 /nfs/dbraw/zinc/84/27/07/367842707.db2.gz NPBWZLVKPDQPGY-GFCCVEGCSA-N 1 2 291.351 1.356 20 30 CDEDLO C=CCC1(C(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)OC)CCC1 ZINC000358646958 367842711 /nfs/dbraw/zinc/84/27/11/367842711.db2.gz NPBWZLVKPDQPGY-GFCCVEGCSA-N 1 2 291.351 1.356 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528738829 367964015 /nfs/dbraw/zinc/96/40/15/367964015.db2.gz NNGJHDSSICJCRF-NSHDSACASA-N 1 2 286.379 1.403 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528738829 367964022 /nfs/dbraw/zinc/96/40/22/367964022.db2.gz NNGJHDSSICJCRF-NSHDSACASA-N 1 2 286.379 1.403 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1scnc1C ZINC000066565763 368354759 /nfs/dbraw/zinc/35/47/59/368354759.db2.gz XZOHMECEJQRNMR-SNVBAGLBSA-N 1 2 253.371 1.574 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1scnc1C ZINC000066565763 368354761 /nfs/dbraw/zinc/35/47/61/368354761.db2.gz XZOHMECEJQRNMR-SNVBAGLBSA-N 1 2 253.371 1.574 20 30 CDEDLO C#CCN(C(=O)NCCn1cc[nH+]c1)C1CCCC1 ZINC000130943581 368954543 /nfs/dbraw/zinc/95/45/43/368954543.db2.gz WRZRHFKHECDLKL-UHFFFAOYSA-N 1 2 260.341 1.471 20 30 CDEDLO CC#CCCNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000361648831 368961654 /nfs/dbraw/zinc/96/16/54/368961654.db2.gz UWPJEWIWXNRBNT-UONOGXRCSA-N 1 2 274.368 1.889 20 30 CDEDLO COC(=O)[C@@H]([NH2+]CCCOc1cccc(C#N)c1)C1CC1 ZINC000276271800 193266557 /nfs/dbraw/zinc/26/65/57/193266557.db2.gz CXBOIPHQJSBMRA-HNNXBMFYSA-N 1 2 288.347 1.868 20 30 CDEDLO CC(C)CC[C@@H](O)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000361301551 261196988 /nfs/dbraw/zinc/19/69/88/261196988.db2.gz QEMBMUSUCMQSSC-MRXNPFEDSA-N 1 2 297.443 1.331 20 30 CDEDLO CC(C)CC[C@@H](O)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000361301551 261196989 /nfs/dbraw/zinc/19/69/89/261196989.db2.gz QEMBMUSUCMQSSC-MRXNPFEDSA-N 1 2 297.443 1.331 20 30 CDEDLO CC(C)CC[C@@H](O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000361301551 261196991 /nfs/dbraw/zinc/19/69/91/261196991.db2.gz QEMBMUSUCMQSSC-MRXNPFEDSA-N 1 2 297.443 1.331 20 30 CDEDLO C=CCNC(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000080906818 369927311 /nfs/dbraw/zinc/92/73/11/369927311.db2.gz VWZDKRLUPWKEKY-MRXNPFEDSA-N 1 2 298.390 1.171 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C ZINC000565171203 370368608 /nfs/dbraw/zinc/36/86/08/370368608.db2.gz MHXXBRRHDOPEKM-XQQFMLRXSA-N 1 2 294.399 1.673 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121201402 370507224 /nfs/dbraw/zinc/50/72/24/370507224.db2.gz JNXWJUMFCOSJCG-RHSMWYFYSA-N 1 2 288.391 1.925 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121201402 370507229 /nfs/dbraw/zinc/50/72/29/370507229.db2.gz JNXWJUMFCOSJCG-RHSMWYFYSA-N 1 2 288.391 1.925 20 30 CDEDLO CO[C@@H]1CCC[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000566072095 370600600 /nfs/dbraw/zinc/60/06/00/370600600.db2.gz XIVHSYCTBYVEQE-BZPMIXESSA-N 1 2 267.373 1.152 20 30 CDEDLO Cn1cc[nH+]c1CS(=O)(=O)CCC(C)(C)C#N ZINC000567985611 371193014 /nfs/dbraw/zinc/19/30/14/371193014.db2.gz OIXHXXYBAAUTPM-UHFFFAOYSA-N 1 2 255.343 1.275 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000170908692 372138672 /nfs/dbraw/zinc/13/86/72/372138672.db2.gz MGTDFAMXKFDQJQ-AWEZNQCLSA-N 1 2 293.411 1.154 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000170908692 372138675 /nfs/dbraw/zinc/13/86/75/372138675.db2.gz MGTDFAMXKFDQJQ-AWEZNQCLSA-N 1 2 293.411 1.154 20 30 CDEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCNC(=O)C1 ZINC000178508840 372187428 /nfs/dbraw/zinc/18/74/28/372187428.db2.gz KWGYEKPUXXRNQF-UHFFFAOYSA-N 1 2 257.337 1.420 20 30 CDEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCNC(=O)C1 ZINC000178508840 372187433 /nfs/dbraw/zinc/18/74/33/372187433.db2.gz KWGYEKPUXXRNQF-UHFFFAOYSA-N 1 2 257.337 1.420 20 30 CDEDLO Cc1nc(N2CCN(c3ccccc3C#N)CC2)cc[nH+]1 ZINC000266444018 372782100 /nfs/dbraw/zinc/78/21/00/372782100.db2.gz WOERFGWEHCRTFZ-UHFFFAOYSA-N 1 2 279.347 1.983 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000653944776 412801219 /nfs/dbraw/zinc/80/12/19/412801219.db2.gz NJYOGTHMCIZWKR-UPJWGTAASA-N 1 2 275.352 1.295 20 30 CDEDLO C=CC[C@H](CO)CNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000340882338 373095312 /nfs/dbraw/zinc/09/53/12/373095312.db2.gz NCTOLLDLIKUFRL-NSHDSACASA-N 1 2 279.388 1.079 20 30 CDEDLO C=CC[C@H](CO)CNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000340882338 373095321 /nfs/dbraw/zinc/09/53/21/373095321.db2.gz NCTOLLDLIKUFRL-NSHDSACASA-N 1 2 279.388 1.079 20 30 CDEDLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000348307210 373100998 /nfs/dbraw/zinc/10/09/98/373100998.db2.gz OESFVQWRCZIHEF-GFCCVEGCSA-N 1 2 293.392 1.024 20 30 CDEDLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000348307210 373101004 /nfs/dbraw/zinc/10/10/04/373101004.db2.gz OESFVQWRCZIHEF-GFCCVEGCSA-N 1 2 293.392 1.024 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1nc(N)c2ccccc2n1 ZINC000191110233 373450067 /nfs/dbraw/zinc/45/00/67/373450067.db2.gz CJGZCOMOSNUCDT-UHFFFAOYSA-N 1 2 272.352 1.846 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1nc(N)c2ccccc2n1 ZINC000191110233 373450071 /nfs/dbraw/zinc/45/00/71/373450071.db2.gz CJGZCOMOSNUCDT-UHFFFAOYSA-N 1 2 272.352 1.846 20 30 CDEDLO COC(=O)COc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000341196250 373463763 /nfs/dbraw/zinc/46/37/63/373463763.db2.gz WMRFARDKUWJTOP-LBPRGKRZSA-N 1 2 276.336 1.830 20 30 CDEDLO COC(=O)COc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000341196250 373463771 /nfs/dbraw/zinc/46/37/71/373463771.db2.gz WMRFARDKUWJTOP-LBPRGKRZSA-N 1 2 276.336 1.830 20 30 CDEDLO Cn1c2ccccc2[nH+]c1Cn1cccc(C#N)c1=O ZINC000356798271 373870166 /nfs/dbraw/zinc/87/01/66/373870166.db2.gz PQOPRDLRHOLIFT-UHFFFAOYSA-N 1 2 264.288 1.655 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNc1nc2ccccn2c1C#N ZINC000360112028 374001563 /nfs/dbraw/zinc/00/15/63/374001563.db2.gz KYUATKDSRLCPRU-GFCCVEGCSA-N 1 2 285.351 1.339 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNc1nc2ccccn2c1C#N ZINC000360112028 374001568 /nfs/dbraw/zinc/00/15/68/374001568.db2.gz KYUATKDSRLCPRU-GFCCVEGCSA-N 1 2 285.351 1.339 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)[nH]1 ZINC000269755484 374260843 /nfs/dbraw/zinc/26/08/43/374260843.db2.gz UBHMCOKMKZEHBB-JTQLQIEISA-N 1 2 269.308 1.629 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](O)CC2)c(C#N)c1C ZINC000293169340 374348790 /nfs/dbraw/zinc/34/87/90/374348790.db2.gz PBVJUTOITPDPPD-LBPRGKRZSA-N 1 2 291.351 1.553 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](O)CC2)c(C#N)c1C ZINC000293169340 374348798 /nfs/dbraw/zinc/34/87/98/374348798.db2.gz PBVJUTOITPDPPD-LBPRGKRZSA-N 1 2 291.351 1.553 20 30 CDEDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1CCOc1ccccc1C#N ZINC000369360055 374351247 /nfs/dbraw/zinc/35/12/47/374351247.db2.gz VGJLISRCONZNCW-ZUOKHONESA-N 1 2 292.404 1.780 20 30 CDEDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1CCOc1ccccc1C#N ZINC000369360055 374351252 /nfs/dbraw/zinc/35/12/52/374351252.db2.gz VGJLISRCONZNCW-ZUOKHONESA-N 1 2 292.404 1.780 20 30 CDEDLO CCOC(=O)[C@H](F)C1C[NH+](Cc2cc(C#N)n(C)c2)C1 ZINC000293513933 374378417 /nfs/dbraw/zinc/37/84/17/374378417.db2.gz AHTNFHSSWCEKNM-CYBMUJFWSA-N 1 2 279.315 1.230 20 30 CDEDLO CCN1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000328615686 374718875 /nfs/dbraw/zinc/71/88/75/374718875.db2.gz AZYSGQZBPKSNDJ-ZDUSSCGKSA-N 1 2 298.350 1.128 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)CC[S@]1=O ZINC000277031692 374766952 /nfs/dbraw/zinc/76/69/52/374766952.db2.gz BBWITRPZTLMLQK-KPZWWZAWSA-N 1 2 262.378 1.901 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)CC[S@]1=O ZINC000277031692 374766957 /nfs/dbraw/zinc/76/69/57/374766957.db2.gz BBWITRPZTLMLQK-KPZWWZAWSA-N 1 2 262.378 1.901 20 30 CDEDLO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC[S@@](=O)C1 ZINC000277449053 374788208 /nfs/dbraw/zinc/78/82/08/374788208.db2.gz LVIZPTUVMQTYNQ-UFAGZECESA-N 1 2 292.404 1.292 20 30 CDEDLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC[S@@](=O)C1 ZINC000277449053 374788214 /nfs/dbraw/zinc/78/82/14/374788214.db2.gz LVIZPTUVMQTYNQ-UFAGZECESA-N 1 2 292.404 1.292 20 30 CDEDLO C[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)CC[S@](=O)C1 ZINC000277435569 374788282 /nfs/dbraw/zinc/78/82/82/374788282.db2.gz KYDOOCOHTBOWDS-XCLFUZPHSA-N 1 2 292.404 1.637 20 30 CDEDLO C[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)CC[S@](=O)C1 ZINC000277435569 374788291 /nfs/dbraw/zinc/78/82/91/374788291.db2.gz KYDOOCOHTBOWDS-XCLFUZPHSA-N 1 2 292.404 1.637 20 30 CDEDLO COCC1(O)CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000330485252 374857887 /nfs/dbraw/zinc/85/78/87/374857887.db2.gz AORBGJMQSKVACT-UHFFFAOYSA-N 1 2 278.327 1.671 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N(C)Cc1[nH+]ccn1C ZINC000161972014 374925978 /nfs/dbraw/zinc/92/59/78/374925978.db2.gz HTCHWFCALMIHOG-LBPRGKRZSA-N 1 2 297.362 1.751 20 30 CDEDLO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H](C)C#N ZINC000049000620 375390765 /nfs/dbraw/zinc/39/07/65/375390765.db2.gz PAVARGDYGNKRJU-RISCZKNCSA-N 1 2 262.357 1.276 20 30 CDEDLO CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H](C)C#N ZINC000049000620 375390769 /nfs/dbraw/zinc/39/07/69/375390769.db2.gz PAVARGDYGNKRJU-RISCZKNCSA-N 1 2 262.357 1.276 20 30 CDEDLO Cc1ccoc1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000427840077 247201893 /nfs/dbraw/zinc/20/18/93/247201893.db2.gz KUDRHBWLDZYSBY-CQSZACIVSA-N 1 2 269.304 1.776 20 30 CDEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CCNC(=O)CC1 ZINC000328609361 375893153 /nfs/dbraw/zinc/89/31/53/375893153.db2.gz MSEYLDKDNQKHRD-LLVKDONJSA-N 1 2 291.355 1.337 20 30 CDEDLO CC[C@]1(C)CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000328601634 375921084 /nfs/dbraw/zinc/92/10/84/375921084.db2.gz FVQGIUPAZKTCJT-SWLSCSKDSA-N 1 2 292.383 1.613 20 30 CDEDLO CC(C)(C(=O)NC[C@@H]1CCCCO1)[NH+]1CCOCC1 ZINC000328752312 375944798 /nfs/dbraw/zinc/94/47/98/375944798.db2.gz RWFJMVDSFZQUPU-LBPRGKRZSA-N 1 2 270.373 1.623 20 30 CDEDLO CC(C)[C@H](NC(=O)[C@@H]1COCCN1C)c1[nH]cc[nH+]1 ZINC000328766565 375949576 /nfs/dbraw/zinc/94/95/76/375949576.db2.gz POKTYEGVGRUFNJ-QWRGUYRKSA-N 1 2 266.345 1.394 20 30 CDEDLO N#Cc1cccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000130226857 376153512 /nfs/dbraw/zinc/15/35/12/376153512.db2.gz LTFMVIPIXNVFSW-GFCCVEGCSA-N 1 2 266.304 1.956 20 30 CDEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000072980458 377206269 /nfs/dbraw/zinc/20/62/69/377206269.db2.gz BLDRJEBQUKFAGR-AWEZNQCLSA-N 1 2 295.404 1.870 20 30 CDEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000072980458 377206277 /nfs/dbraw/zinc/20/62/77/377206277.db2.gz BLDRJEBQUKFAGR-AWEZNQCLSA-N 1 2 295.404 1.870 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NC1CCCC1 ZINC000250051833 377488645 /nfs/dbraw/zinc/48/86/45/377488645.db2.gz XJRDCJQSDJYECZ-NWDGAFQWSA-N 1 2 251.374 1.915 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NC1CCCC1 ZINC000250051833 377488656 /nfs/dbraw/zinc/48/86/56/377488656.db2.gz XJRDCJQSDJYECZ-NWDGAFQWSA-N 1 2 251.374 1.915 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(C(C)(C)C)on1 ZINC000571765921 377515534 /nfs/dbraw/zinc/51/55/34/377515534.db2.gz LSLHJCXRAPOVFQ-CQSZACIVSA-N 1 2 278.356 1.546 20 30 CDEDLO N#CC1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000258827311 377849489 /nfs/dbraw/zinc/84/94/89/377849489.db2.gz WJGBRUWHUAPAKM-UHFFFAOYSA-N 1 2 257.341 1.817 20 30 CDEDLO N#CC1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000258827311 377849495 /nfs/dbraw/zinc/84/94/95/377849495.db2.gz WJGBRUWHUAPAKM-UHFFFAOYSA-N 1 2 257.341 1.817 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](CC)CC(=O)NCC ZINC000133517626 377918675 /nfs/dbraw/zinc/91/86/75/377918675.db2.gz MFSBLDFLYOSCBE-ZDUSSCGKSA-N 1 2 283.416 1.258 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](CC)CC(=O)NCC ZINC000133517626 377918678 /nfs/dbraw/zinc/91/86/78/377918678.db2.gz MFSBLDFLYOSCBE-ZDUSSCGKSA-N 1 2 283.416 1.258 20 30 CDEDLO COCCN1CCC[N@H+](Cc2cc(C#N)cs2)CC1=O ZINC000191697941 378120140 /nfs/dbraw/zinc/12/01/40/378120140.db2.gz JNWNZUZSLGDQOU-UHFFFAOYSA-N 1 2 293.392 1.300 20 30 CDEDLO COCCN1CCC[N@@H+](Cc2cc(C#N)cs2)CC1=O ZINC000191697941 378120145 /nfs/dbraw/zinc/12/01/45/378120145.db2.gz JNWNZUZSLGDQOU-UHFFFAOYSA-N 1 2 293.392 1.300 20 30 CDEDLO COc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(C)c1 ZINC000574694169 335040413 /nfs/dbraw/zinc/04/04/13/335040413.db2.gz JNXGOFZJBIAHSS-HNNXBMFYSA-N 1 2 275.352 1.577 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(C)c(C(=O)OCC)s1 ZINC000192237460 378178035 /nfs/dbraw/zinc/17/80/35/378178035.db2.gz GHEXWCAICSIFJF-UHFFFAOYSA-N 1 2 294.376 1.737 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1cc(C)c(C(=O)OCC)s1 ZINC000192237460 378178042 /nfs/dbraw/zinc/17/80/42/378178042.db2.gz GHEXWCAICSIFJF-UHFFFAOYSA-N 1 2 294.376 1.737 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cc(C(=O)OC)c(C)n1C ZINC000291135271 378451498 /nfs/dbraw/zinc/45/14/98/378451498.db2.gz FIYBRSBRQOOHPU-UHFFFAOYSA-N 1 2 258.321 1.189 20 30 CDEDLO C#CCO[C@H](C)C(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000296640084 378732537 /nfs/dbraw/zinc/73/25/37/378732537.db2.gz IGPWWDLTVBBJLT-CQSZACIVSA-N 1 2 291.395 1.722 20 30 CDEDLO C#C[C@H](C)NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000186096633 378855143 /nfs/dbraw/zinc/85/51/43/378855143.db2.gz VEKXGXJKDMYRRD-LBPRGKRZSA-N 1 2 272.352 1.503 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000278540737 194033430 /nfs/dbraw/zinc/03/34/30/194033430.db2.gz FYIZUVXXYJPGAO-INIZCTEOSA-N 1 2 289.379 1.053 20 30 CDEDLO O=C([C@@H]1CSC[NH2+]1)N(O)Cc1ccc(F)cc1 ZINC001580805814 1172545495 /nfs/dbraw/zinc/54/54/95/1172545495.db2.gz ZGVVMRIECLUBBU-JTQLQIEISA-N 1 2 256.302 1.206 20 30 CDEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@@H]1CCCOCC1 ZINC000329231016 227369016 /nfs/dbraw/zinc/36/90/16/227369016.db2.gz KHVBHLYYQAOMSC-QWHCGFSZSA-N 1 2 292.383 1.833 20 30 CDEDLO Cc1cc(N2CC[C@@H](OC(=O)N(C)C)C2)c(C#N)c[nH+]1 ZINC000497173906 254031761 /nfs/dbraw/zinc/03/17/61/254031761.db2.gz YLEUVUCSFLIZLL-GFCCVEGCSA-N 1 2 274.324 1.539 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)NC2CCCC2)C1=O ZINC000281337170 195202060 /nfs/dbraw/zinc/20/20/60/195202060.db2.gz MEIJUMWJKOOZEA-JSGCOSHPSA-N 1 2 293.411 1.152 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)NC2CCCC2)C1=O ZINC000281337170 195202062 /nfs/dbraw/zinc/20/20/62/195202062.db2.gz MEIJUMWJKOOZEA-JSGCOSHPSA-N 1 2 293.411 1.152 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)c2nc(C)cc(=O)[nH]2)C1=O ZINC000281480574 195258245 /nfs/dbraw/zinc/25/82/45/195258245.db2.gz WPHJZSODPNKGLN-NEPJUHHUSA-N 1 2 290.367 1.270 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)c2nc(C)cc(=O)[nH]2)C1=O ZINC000281480574 195258246 /nfs/dbraw/zinc/25/82/46/195258246.db2.gz WPHJZSODPNKGLN-NEPJUHHUSA-N 1 2 290.367 1.270 20 30 CDEDLO N#CCC[N@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000375793085 390819789 /nfs/dbraw/zinc/81/97/89/390819789.db2.gz SAESACCNHFTADX-STQMWFEESA-N 1 2 281.356 1.270 20 30 CDEDLO N#CCC[N@@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000375793085 390819794 /nfs/dbraw/zinc/81/97/94/390819794.db2.gz SAESACCNHFTADX-STQMWFEESA-N 1 2 281.356 1.270 20 30 CDEDLO CC#CCCN1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000156032376 390920910 /nfs/dbraw/zinc/92/09/10/390920910.db2.gz OOBPTDNMTMGGLQ-OAHLLOKOSA-N 1 2 277.412 1.028 20 30 CDEDLO CC(C)c1nc(N2CC[C@@H](NC(=O)NC3CC3)C2)cc[nH+]1 ZINC000329571412 391018911 /nfs/dbraw/zinc/01/89/11/391018911.db2.gz MQVCJSLHYOLLKM-GFCCVEGCSA-N 1 2 289.383 1.845 20 30 CDEDLO C[C@@H](NC(=O)NCc1cn2c([nH+]1)CCCC2)c1nc[nH]n1 ZINC000329419724 390984230 /nfs/dbraw/zinc/98/42/30/390984230.db2.gz GQHRULIZRXYKKF-SECBINFHSA-N 1 2 289.343 1.102 20 30 CDEDLO C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C(=O)NC2CC2)CC[N@@H+]1C ZINC000329510680 391001463 /nfs/dbraw/zinc/00/14/63/391001463.db2.gz KEKNRCCQPQWOTN-OBJOEFQTSA-N 1 2 293.411 1.827 20 30 CDEDLO C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C(=O)NC2CC2)CC[N@H+]1C ZINC000329510680 391001466 /nfs/dbraw/zinc/00/14/66/391001466.db2.gz KEKNRCCQPQWOTN-OBJOEFQTSA-N 1 2 293.411 1.827 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc2c(c1)oc(=O)n2C ZINC000351403141 391075844 /nfs/dbraw/zinc/07/58/44/391075844.db2.gz XMZBTDBTKUEMGN-SNVBAGLBSA-N 1 2 259.309 1.865 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc2c(c1)oc(=O)n2C ZINC000351403141 391075848 /nfs/dbraw/zinc/07/58/48/391075848.db2.gz XMZBTDBTKUEMGN-SNVBAGLBSA-N 1 2 259.309 1.865 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121536296 391121617 /nfs/dbraw/zinc/12/16/17/391121617.db2.gz MUSHBUYTYRDIRY-WMLDXEAASA-N 1 2 286.375 1.372 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121536296 391121620 /nfs/dbraw/zinc/12/16/20/391121620.db2.gz MUSHBUYTYRDIRY-WMLDXEAASA-N 1 2 286.375 1.372 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000491461964 391136717 /nfs/dbraw/zinc/13/67/17/391136717.db2.gz GFIKYWSEXQKNGJ-HNNXBMFYSA-N 1 2 267.332 1.706 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000491461964 391136719 /nfs/dbraw/zinc/13/67/19/391136719.db2.gz GFIKYWSEXQKNGJ-HNNXBMFYSA-N 1 2 267.332 1.706 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cc1cn(Cc2cccnc2)nn1 ZINC000491634022 391172177 /nfs/dbraw/zinc/17/21/77/391172177.db2.gz QGUSWWUTEHLBRG-LBPRGKRZSA-N 1 2 255.325 1.175 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cc1cn(Cc2cccnc2)nn1 ZINC000491634022 391172181 /nfs/dbraw/zinc/17/21/81/391172181.db2.gz QGUSWWUTEHLBRG-LBPRGKRZSA-N 1 2 255.325 1.175 20 30 CDEDLO N#CCCCCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177950669 391179744 /nfs/dbraw/zinc/17/97/44/391179744.db2.gz LAYVUJJMNZGTPP-UHFFFAOYSA-N 1 2 271.324 1.827 20 30 CDEDLO CCCCNC(=O)[C@H](C)O[NH+]=C(N)Cc1csc(C)n1 ZINC000178144928 391182197 /nfs/dbraw/zinc/18/21/97/391182197.db2.gz KQTBAJYCROGJEZ-VIFPVBQESA-N 1 2 298.412 1.588 20 30 CDEDLO C=CCCCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376185766 391217554 /nfs/dbraw/zinc/21/75/54/391217554.db2.gz GASTXQGUKNBGKG-KBPBESRZSA-N 1 2 266.385 1.664 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000376553049 391240009 /nfs/dbraw/zinc/24/00/09/391240009.db2.gz LXUIGUNCFDYWHI-UKRRQHHQSA-N 1 2 270.336 1.978 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000376553049 391240013 /nfs/dbraw/zinc/24/00/13/391240013.db2.gz LXUIGUNCFDYWHI-UKRRQHHQSA-N 1 2 270.336 1.978 20 30 CDEDLO Cc1ccc(CCCO[NH+]=C(N)CN2CCOCC2)cc1 ZINC000182928934 391246945 /nfs/dbraw/zinc/24/69/45/391246945.db2.gz HANQZZXUGDCKNL-UHFFFAOYSA-N 1 2 291.395 1.549 20 30 CDEDLO C=CCOCC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1C ZINC000339088033 391250540 /nfs/dbraw/zinc/25/05/40/391250540.db2.gz KMALNAZDXWJBSB-HNNXBMFYSA-N 1 2 274.364 1.671 20 30 CDEDLO C=CCOCC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1C ZINC000339088033 391250544 /nfs/dbraw/zinc/25/05/44/391250544.db2.gz KMALNAZDXWJBSB-HNNXBMFYSA-N 1 2 274.364 1.671 20 30 CDEDLO COCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000186169861 391213546 /nfs/dbraw/zinc/21/35/46/391213546.db2.gz RYSMYPGMZLBENG-UHFFFAOYSA-N 1 2 287.363 1.157 20 30 CDEDLO CC[C@H](CC#N)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000183790319 391269841 /nfs/dbraw/zinc/26/98/41/391269841.db2.gz BAQCGEKWHJTQTA-GFCCVEGCSA-N 1 2 269.308 1.689 20 30 CDEDLO C=C(C)CN(C)c1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000302845049 391305395 /nfs/dbraw/zinc/30/53/95/391305395.db2.gz NPEAXFNVJURSMJ-ZDUSSCGKSA-N 1 2 276.384 1.840 20 30 CDEDLO C=C(C)CN(C)c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000302845049 391305397 /nfs/dbraw/zinc/30/53/97/391305397.db2.gz NPEAXFNVJURSMJ-ZDUSSCGKSA-N 1 2 276.384 1.840 20 30 CDEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)[C@H](C)C#N ZINC000416525074 391315019 /nfs/dbraw/zinc/31/50/19/391315019.db2.gz NEWFPUAGFSIUGJ-NEPJUHHUSA-N 1 2 296.396 1.672 20 30 CDEDLO Cc1noc(C)c1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000328960300 391399014 /nfs/dbraw/zinc/39/90/14/391399014.db2.gz QFPUUDKVADJVGG-VIFPVBQESA-N 1 2 260.297 1.877 20 30 CDEDLO Cc1noc(C)c1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000328960300 391399016 /nfs/dbraw/zinc/39/90/16/391399016.db2.gz QFPUUDKVADJVGG-VIFPVBQESA-N 1 2 260.297 1.877 20 30 CDEDLO C=CC(C)(C)CNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000411577658 391483522 /nfs/dbraw/zinc/48/35/22/391483522.db2.gz QSRVFOYIWXSDJP-UHFFFAOYSA-N 1 2 286.335 1.601 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1ccon1 ZINC000349236746 391538397 /nfs/dbraw/zinc/53/83/97/391538397.db2.gz HOWHBTFSSAVVJQ-LLVKDONJSA-N 1 2 251.330 1.750 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)NC[C@@]1(C)CCCO1 ZINC000328824844 391550184 /nfs/dbraw/zinc/55/01/84/391550184.db2.gz IWRJGTAIVCHFBV-CYBMUJFWSA-N 1 2 251.330 1.878 20 30 CDEDLO CC(C)OCC[NH+]1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000159689224 391633118 /nfs/dbraw/zinc/63/31/18/391633118.db2.gz ALFOJXGFAQSWNB-UHFFFAOYSA-N 1 2 290.367 1.069 20 30 CDEDLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000329536205 391592032 /nfs/dbraw/zinc/59/20/32/391592032.db2.gz ZZYMROZSECDVOA-RQJABVFESA-N 1 2 280.368 1.089 20 30 CDEDLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000329536205 391592036 /nfs/dbraw/zinc/59/20/36/391592036.db2.gz ZZYMROZSECDVOA-RQJABVFESA-N 1 2 280.368 1.089 20 30 CDEDLO C=CCOC[C@@H]([NH2+]C1CCC(C(=O)OC)CC1)C(=O)OC ZINC000361113458 391683456 /nfs/dbraw/zinc/68/34/56/391683456.db2.gz MGOFGMFHIVELAU-WXRRBKDZSA-N 1 2 299.367 1.052 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1nc2ccc(OC)nc2[nH]1 ZINC000361995688 391705692 /nfs/dbraw/zinc/70/56/92/391705692.db2.gz HITBLVCUDAKQTE-UHFFFAOYSA-N 1 2 276.340 1.601 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1nc2ccc(OC)nc2[nH]1 ZINC000361995688 391705694 /nfs/dbraw/zinc/70/56/94/391705694.db2.gz HITBLVCUDAKQTE-UHFFFAOYSA-N 1 2 276.340 1.601 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H]2CO)c(C#N)c1C ZINC000189738855 130017880 /nfs/dbraw/zinc/01/78/80/130017880.db2.gz XQXXUBVFSXMHDP-ZANVPECISA-N 1 2 291.351 1.409 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H]2CO)c(C#N)c1C ZINC000189738855 130017881 /nfs/dbraw/zinc/01/78/81/130017881.db2.gz XQXXUBVFSXMHDP-ZANVPECISA-N 1 2 291.351 1.409 20 30 CDEDLO Cc1cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cnn1 ZINC000329826295 391786021 /nfs/dbraw/zinc/78/60/21/391786021.db2.gz IQDASAMTERNIJD-LLVKDONJSA-N 1 2 257.297 1.301 20 30 CDEDLO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)c(C)[nH+]1 ZINC000425799284 391829699 /nfs/dbraw/zinc/82/96/99/391829699.db2.gz AZCHRVRROZXHKV-NWDGAFQWSA-N 1 2 286.335 1.445 20 30 CDEDLO CC(C)(C)[C@@H](C#N)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000335965687 391840214 /nfs/dbraw/zinc/84/02/14/391840214.db2.gz BBPLZPNDFMQRKS-CMPLNLGQSA-N 1 2 260.341 1.500 20 30 CDEDLO O=C1CC[C@H]2C[N@H+](CC#Cc3cccc(Cl)c3)CCN12 ZINC000334255016 392054104 /nfs/dbraw/zinc/05/41/04/392054104.db2.gz NOHIUBOGDIZCTI-HNNXBMFYSA-N 1 2 288.778 1.998 20 30 CDEDLO O=C1CC[C@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)CCN12 ZINC000334255016 392054109 /nfs/dbraw/zinc/05/41/09/392054109.db2.gz NOHIUBOGDIZCTI-HNNXBMFYSA-N 1 2 288.778 1.998 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C)C[C@@H]1C(=O)OC ZINC000275011643 392142526 /nfs/dbraw/zinc/14/25/26/392142526.db2.gz RLODETZEWIWZLG-UONOGXRCSA-N 1 2 296.411 1.685 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](C)C[C@@H]1C(=O)OC ZINC000275011643 392142531 /nfs/dbraw/zinc/14/25/31/392142531.db2.gz RLODETZEWIWZLG-UONOGXRCSA-N 1 2 296.411 1.685 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000107427531 392737149 /nfs/dbraw/zinc/73/71/49/392737149.db2.gz NYEPTRMZUWNWEW-UHFFFAOYSA-N 1 2 293.330 1.311 20 30 CDEDLO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H](C)S(C)(=O)=O ZINC000450299074 392923811 /nfs/dbraw/zinc/92/38/11/392923811.db2.gz OOQUBIBQWCRNOZ-ZDUSSCGKSA-N 1 2 292.404 1.979 20 30 CDEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H](C)S(C)(=O)=O ZINC000450299074 392923817 /nfs/dbraw/zinc/92/38/17/392923817.db2.gz OOQUBIBQWCRNOZ-ZDUSSCGKSA-N 1 2 292.404 1.979 20 30 CDEDLO Cc1cc(NCC(=O)N(C)C2CCCCC2)c(C#N)c[nH+]1 ZINC000425229009 392999096 /nfs/dbraw/zinc/99/90/96/392999096.db2.gz KUUKZTLAVGBUGS-UHFFFAOYSA-N 1 2 286.379 1.887 20 30 CDEDLO Cc1cc(NCCCO[C@H]2CCOC2)c(C#N)c[nH+]1 ZINC000425237624 393000743 /nfs/dbraw/zinc/00/07/43/393000743.db2.gz LVNWAZRWADIVCN-ZDUSSCGKSA-N 1 2 261.325 1.291 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCOC[C@H](C)C1 ZINC000332284024 393152289 /nfs/dbraw/zinc/15/22/89/393152289.db2.gz RTSDCBYRRKNEJA-IUODEOHRSA-N 1 2 288.347 1.741 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCOC[C@H](C)C1 ZINC000332284024 393152293 /nfs/dbraw/zinc/15/22/93/393152293.db2.gz RTSDCBYRRKNEJA-IUODEOHRSA-N 1 2 288.347 1.741 20 30 CDEDLO Cc1nc(C)c(C#N)c(SCC[N@H+]2CCOC[C@@H]2C)n1 ZINC000188290595 140091638 /nfs/dbraw/zinc/09/16/38/140091638.db2.gz UBCYATFRADSSBN-JTQLQIEISA-N 1 2 292.408 1.778 20 30 CDEDLO Cc1nc(C)c(C#N)c(SCC[N@@H+]2CCOC[C@@H]2C)n1 ZINC000188290595 140091640 /nfs/dbraw/zinc/09/16/40/140091640.db2.gz UBCYATFRADSSBN-JTQLQIEISA-N 1 2 292.408 1.778 20 30 CDEDLO CN1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1=O ZINC000191079061 140133958 /nfs/dbraw/zinc/13/39/58/140133958.db2.gz QYJAYUZLLBIGNL-UHFFFAOYSA-N 1 2 261.300 1.361 20 30 CDEDLO CN1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1=O ZINC000191079061 140133959 /nfs/dbraw/zinc/13/39/59/140133959.db2.gz QYJAYUZLLBIGNL-UHFFFAOYSA-N 1 2 261.300 1.361 20 30 CDEDLO Cn1cc(C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)cc1C#N ZINC000191609000 140136916 /nfs/dbraw/zinc/13/69/16/140136916.db2.gz GWKYNNBHEJVGHP-CQSZACIVSA-N 1 2 286.310 1.352 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120069236 398127511 /nfs/dbraw/zinc/12/75/11/398127511.db2.gz GXYGIBLHUGYBSK-LLVKDONJSA-N 1 2 296.802 1.871 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120069236 398127512 /nfs/dbraw/zinc/12/75/12/398127512.db2.gz GXYGIBLHUGYBSK-LLVKDONJSA-N 1 2 296.802 1.871 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000094507774 147088041 /nfs/dbraw/zinc/08/80/41/147088041.db2.gz UMVGYFKHSKDCGD-NSHDSACASA-N 1 2 290.348 1.122 20 30 CDEDLO Cc1cc(C[N@H+]2CCC[C@H]2c2nc(N)n(C)n2)ccc1C#N ZINC000331835911 149274278 /nfs/dbraw/zinc/27/42/78/149274278.db2.gz OTASURBEIDLUBB-AWEZNQCLSA-N 1 2 296.378 1.745 20 30 CDEDLO Cc1cc(C[N@@H+]2CCC[C@H]2c2nc(N)n(C)n2)ccc1C#N ZINC000331835911 149274281 /nfs/dbraw/zinc/27/42/81/149274281.db2.gz OTASURBEIDLUBB-AWEZNQCLSA-N 1 2 296.378 1.745 20 30 CDEDLO COc1cc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)ccc1C#N ZINC000282367610 286218259 /nfs/dbraw/zinc/21/82/59/286218259.db2.gz QCXWNJCZGPDGNY-HUUCEWRRSA-N 1 2 299.374 1.810 20 30 CDEDLO COc1cc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)ccc1C#N ZINC000282367610 286218260 /nfs/dbraw/zinc/21/82/60/286218260.db2.gz QCXWNJCZGPDGNY-HUUCEWRRSA-N 1 2 299.374 1.810 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)c1cccc(F)c1C#N ZINC000335809215 151038074 /nfs/dbraw/zinc/03/80/74/151038074.db2.gz ONHQTTSPOCYNOG-UHFFFAOYSA-N 1 2 258.256 1.361 20 30 CDEDLO CCNc1ccc(C#N)cc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000354088589 156264754 /nfs/dbraw/zinc/26/47/54/156264754.db2.gz RQLBZSNFADYQLC-AWEZNQCLSA-N 1 2 288.351 1.259 20 30 CDEDLO CCNc1ccc(C#N)cc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000354088589 156264756 /nfs/dbraw/zinc/26/47/56/156264756.db2.gz RQLBZSNFADYQLC-AWEZNQCLSA-N 1 2 288.351 1.259 20 30 CDEDLO N#Cc1csc(C[NH+]2CCC(n3cncn3)CC2)n1 ZINC000356058780 157337272 /nfs/dbraw/zinc/33/72/72/157337272.db2.gz GCKCPOQCQUPAAZ-UHFFFAOYSA-N 1 2 274.353 1.443 20 30 CDEDLO Cc1ccn2cc(CNC(=O)c3cc(C#N)c[nH]3)[nH+]c2c1 ZINC000359084177 158121731 /nfs/dbraw/zinc/12/17/31/158121731.db2.gz QYLJHWGDTHTTDB-UHFFFAOYSA-N 1 2 279.303 1.773 20 30 CDEDLO COC(=O)[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000285134426 196204525 /nfs/dbraw/zinc/20/45/25/196204525.db2.gz SNXARRFEJRKRKD-KGLIPLIRSA-N 1 2 274.320 1.133 20 30 CDEDLO C=CCCCCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000664699155 413601093 /nfs/dbraw/zinc/60/10/93/413601093.db2.gz RHTNGOODYNYNIG-ZIAGYGMSSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CCCCCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000664699155 413601102 /nfs/dbraw/zinc/60/11/02/413601102.db2.gz RHTNGOODYNYNIG-ZIAGYGMSSA-N 1 2 283.416 1.751 20 30 CDEDLO C=C(C)COCCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660906653 413642976 /nfs/dbraw/zinc/64/29/76/413642976.db2.gz JSXBIZBJYIUVTK-UHFFFAOYSA-N 1 2 252.318 1.144 20 30 CDEDLO C=C(C)COCCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660906653 413642985 /nfs/dbraw/zinc/64/29/85/413642985.db2.gz JSXBIZBJYIUVTK-UHFFFAOYSA-N 1 2 252.318 1.144 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccnn2CCC)nn1 ZINC000657495107 414394134 /nfs/dbraw/zinc/39/41/34/414394134.db2.gz GTPCLXJJHNSZHJ-UHFFFAOYSA-N 1 2 260.345 1.360 20 30 CDEDLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330030774 228021783 /nfs/dbraw/zinc/02/17/83/228021783.db2.gz SDRRNQNHSNJFDL-GDNZZTSVSA-N 1 2 276.340 1.148 20 30 CDEDLO CN(C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1)[C@@H]1CCCC[C@H]1O ZINC000330278855 228090948 /nfs/dbraw/zinc/09/09/48/228090948.db2.gz QEAAZJNXFLPHRP-YNEHKIRRSA-N 1 2 292.383 1.347 20 30 CDEDLO C[C@@H]1COCC[C@@H]1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000330318708 228140893 /nfs/dbraw/zinc/14/08/93/228140893.db2.gz CPSOTMXVTPNEBY-UPJWGTAASA-N 1 2 292.383 1.548 20 30 CDEDLO O=C(CN1CCCCC1=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330337277 228155828 /nfs/dbraw/zinc/15/58/28/228155828.db2.gz ZUTIHEYWBNOOQC-NSHDSACASA-N 1 2 276.340 1.167 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)C1(C#N)CCCC1)[NH+]1CCOCC1 ZINC000408078426 260217230 /nfs/dbraw/zinc/21/72/30/260217230.db2.gz CFEYRMGEXWEEJB-QWHCGFSZSA-N 1 2 279.384 1.296 20 30 CDEDLO CC(C)[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)CCO1 ZINC000408141390 260287259 /nfs/dbraw/zinc/28/72/59/260287259.db2.gz WLVNNTVOQAWKFX-AWEZNQCLSA-N 1 2 293.411 1.686 20 30 CDEDLO CC(C)[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)CCO1 ZINC000408141390 260287260 /nfs/dbraw/zinc/28/72/60/260287260.db2.gz WLVNNTVOQAWKFX-AWEZNQCLSA-N 1 2 293.411 1.686 20 30 CDEDLO C[C@H]1C[C@]1(C#N)C(=O)NCCCNc1cccc[nH+]1 ZINC000449853130 260883865 /nfs/dbraw/zinc/88/38/65/260883865.db2.gz AUXUHEMGHZILHI-SMDDNHRTSA-N 1 2 258.325 1.550 20 30 CDEDLO C[C@@H](C#N)CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000525693600 260916832 /nfs/dbraw/zinc/91/68/32/260916832.db2.gz BTVIKZSIILJFHH-ZDUSSCGKSA-N 1 2 287.363 1.408 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCc1ccc(CC)s1 ZINC000490800835 261210906 /nfs/dbraw/zinc/21/09/06/261210906.db2.gz WFDQNEXRHWLCFW-UHFFFAOYSA-N 1 2 274.389 1.495 20 30 CDEDLO C#CC[N@@H+](Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000490867019 261231543 /nfs/dbraw/zinc/23/15/43/261231543.db2.gz YBQUMZOQIVEGSS-OAHLLOKOSA-N 1 2 277.389 1.617 20 30 CDEDLO C#CC[N@H+](Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000490867019 261231544 /nfs/dbraw/zinc/23/15/44/261231544.db2.gz YBQUMZOQIVEGSS-OAHLLOKOSA-N 1 2 277.389 1.617 20 30 CDEDLO C#CC[N@@H+]([C@H](C)Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 ZINC000490949460 261262263 /nfs/dbraw/zinc/26/22/63/261262263.db2.gz KLPPXKDSBUHMLM-OCCSQVGLSA-N 1 2 297.445 1.801 20 30 CDEDLO C#CC[N@H+]([C@H](C)Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 ZINC000490949460 261262266 /nfs/dbraw/zinc/26/22/66/261262266.db2.gz KLPPXKDSBUHMLM-OCCSQVGLSA-N 1 2 297.445 1.801 20 30 CDEDLO C#CC[N@@H+](CC/C=C\CC)[C@H]1CCS(=O)(=O)C1 ZINC000490983958 261279679 /nfs/dbraw/zinc/27/96/79/261279679.db2.gz COEZYTVRJBPJPV-SZZPACECSA-N 1 2 255.383 1.465 20 30 CDEDLO C#CC[N@H+](CC/C=C\CC)[C@H]1CCS(=O)(=O)C1 ZINC000490983958 261279681 /nfs/dbraw/zinc/27/96/81/261279681.db2.gz COEZYTVRJBPJPV-SZZPACECSA-N 1 2 255.383 1.465 20 30 CDEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCOC[C@@H]1C#N ZINC000175881021 261626905 /nfs/dbraw/zinc/62/69/05/261626905.db2.gz OFLYEGCSGFDYLD-LBPRGKRZSA-N 1 2 298.346 1.350 20 30 CDEDLO C#CCCCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000367746631 262275270 /nfs/dbraw/zinc/27/52/70/262275270.db2.gz OCSKTALAXOZTCC-KGLIPLIRSA-N 1 2 264.369 1.112 20 30 CDEDLO C#CCCCS(=O)(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000367787507 262366165 /nfs/dbraw/zinc/36/61/65/262366165.db2.gz SQJKPNFDICQVOG-UONOGXRCSA-N 1 2 295.408 1.509 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000336830689 262397300 /nfs/dbraw/zinc/39/73/00/262397300.db2.gz NBHUMYIIKFBLOK-GFCCVEGCSA-N 1 2 295.408 1.528 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000336830689 262397301 /nfs/dbraw/zinc/39/73/01/262397301.db2.gz NBHUMYIIKFBLOK-GFCCVEGCSA-N 1 2 295.408 1.528 20 30 CDEDLO CCN(CC)C(=O)N1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000411132913 262680323 /nfs/dbraw/zinc/68/03/23/262680323.db2.gz ZDCKXTRXDZUJCF-ZDUSSCGKSA-N 1 2 266.389 1.758 20 30 CDEDLO C[C@H](c1cccc(NC(=O)CC#N)c1)[NH+]1CCOCC1 ZINC000274916701 263031644 /nfs/dbraw/zinc/03/16/44/263031644.db2.gz ZAWYPOOGOFIIQM-GFCCVEGCSA-N 1 2 273.336 1.932 20 30 CDEDLO CC[C@@H](C#N)NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000340133024 263075142 /nfs/dbraw/zinc/07/51/42/263075142.db2.gz CVKRZGBTIKQNRO-KBPBESRZSA-N 1 2 257.337 1.679 20 30 CDEDLO CC[C@@H](C#N)NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000340133024 263075143 /nfs/dbraw/zinc/07/51/43/263075143.db2.gz CVKRZGBTIKQNRO-KBPBESRZSA-N 1 2 257.337 1.679 20 30 CDEDLO CC[N@H+](CC#N)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283485865 263082996 /nfs/dbraw/zinc/08/29/96/263082996.db2.gz JKRNGNYJXUGRAG-AWEZNQCLSA-N 1 2 271.364 1.994 20 30 CDEDLO CC[N@@H+](CC#N)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283485865 263082997 /nfs/dbraw/zinc/08/29/97/263082997.db2.gz JKRNGNYJXUGRAG-AWEZNQCLSA-N 1 2 271.364 1.994 20 30 CDEDLO CC(C)(C)c1nc(CO[NH+]=C(N)[C@H]2CCCO2)no1 ZINC000284621468 263087622 /nfs/dbraw/zinc/08/76/22/263087622.db2.gz ZPEVRBBOOQTTEE-MRVPVSSYSA-N 1 2 268.317 1.335 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000285018116 263089149 /nfs/dbraw/zinc/08/91/49/263089149.db2.gz OGWTYEMZDGJHKL-INIZCTEOSA-N 1 2 286.379 1.666 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000285388633 263092629 /nfs/dbraw/zinc/09/26/29/263092629.db2.gz NUXSUZFNXCZDNL-AWEZNQCLSA-N 1 2 289.383 1.699 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000285388633 263092630 /nfs/dbraw/zinc/09/26/30/263092630.db2.gz NUXSUZFNXCZDNL-AWEZNQCLSA-N 1 2 289.383 1.699 20 30 CDEDLO C[C@H]([NH2+][C@@H](C)c1c(F)cncc1F)C(=O)N(C)CCC#N ZINC000285786287 263095535 /nfs/dbraw/zinc/09/55/35/263095535.db2.gz SUMPOQCSXGJUAD-UWVGGRQHSA-N 1 2 296.321 1.771 20 30 CDEDLO C=CC[C@H](CO)C[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000340318677 263110532 /nfs/dbraw/zinc/11/05/32/263110532.db2.gz WFHLOJIPZFMFCA-WCQYABFASA-N 1 2 273.340 1.063 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCc2cnn(C)n2)ccc1F ZINC000289493136 263110654 /nfs/dbraw/zinc/11/06/54/263110654.db2.gz ZEZWEPORXYMWJU-UHFFFAOYSA-N 1 2 263.276 1.100 20 30 CDEDLO CCn1cc[nH+]c1CNC(=O)c1cccc(CC#N)c1 ZINC000295587863 263180234 /nfs/dbraw/zinc/18/02/34/263180234.db2.gz HNBVQZNVUMNJLQ-UHFFFAOYSA-N 1 2 268.320 1.899 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120175055 263285184 /nfs/dbraw/zinc/28/51/84/263285184.db2.gz LBSFHEKFERTCGD-JTQLQIEISA-N 1 2 267.760 1.248 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120175055 263285185 /nfs/dbraw/zinc/28/51/85/263285185.db2.gz LBSFHEKFERTCGD-JTQLQIEISA-N 1 2 267.760 1.248 20 30 CDEDLO C=CC[C@H](CC)NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000341361181 263334015 /nfs/dbraw/zinc/33/40/15/263334015.db2.gz GAUWBYXBOINMEY-ZDUSSCGKSA-N 1 2 291.399 1.592 20 30 CDEDLO COCC1(C#N)CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000341984724 263380311 /nfs/dbraw/zinc/38/03/11/263380311.db2.gz GYPNBRVMJZQWOM-UHFFFAOYSA-N 1 2 287.363 1.877 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2cn(C(C)(C)C)nn2)CC1 ZINC000342836069 263517552 /nfs/dbraw/zinc/51/75/52/263517552.db2.gz FYHUSGUHVWNGKU-UHFFFAOYSA-N 1 2 291.399 1.785 20 30 CDEDLO CC(C)CNC(=O)NC(=O)C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000330720237 264024166 /nfs/dbraw/zinc/02/41/66/264024166.db2.gz BKYYDOYCIRDUEA-LBPRGKRZSA-N 1 2 285.388 1.029 20 30 CDEDLO CC(C)CNC(=O)NC(=O)C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000330720237 264024167 /nfs/dbraw/zinc/02/41/67/264024167.db2.gz BKYYDOYCIRDUEA-LBPRGKRZSA-N 1 2 285.388 1.029 20 30 CDEDLO C[C@@H](CNC(=O)NCCC(F)(F)F)[NH+]1CCOCC1 ZINC000330942044 264083588 /nfs/dbraw/zinc/08/35/88/264083588.db2.gz ZLALIMDAZPJGMX-VIFPVBQESA-N 1 2 283.294 1.163 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000331058665 264109174 /nfs/dbraw/zinc/10/91/74/264109174.db2.gz ROLBXKNPBAVFTL-DZGCQCFKSA-N 1 2 293.411 1.638 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000331058665 264109176 /nfs/dbraw/zinc/10/91/76/264109176.db2.gz ROLBXKNPBAVFTL-DZGCQCFKSA-N 1 2 293.411 1.638 20 30 CDEDLO CCCNC(=O)NC(=O)C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331340364 264194749 /nfs/dbraw/zinc/19/47/49/264194749.db2.gz XEERSDMKCRGKNZ-LLVKDONJSA-N 1 2 285.388 1.174 20 30 CDEDLO CCCNC(=O)NC(=O)C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331340364 264194752 /nfs/dbraw/zinc/19/47/52/264194752.db2.gz XEERSDMKCRGKNZ-LLVKDONJSA-N 1 2 285.388 1.174 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000425488328 264354697 /nfs/dbraw/zinc/35/46/97/264354697.db2.gz MSVHGDGXTSGFHD-RKDXNWHRSA-N 1 2 297.380 1.271 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[NH+]1CC(C)(C)OC(C)(C)C1)C1CC1 ZINC000190533683 264390879 /nfs/dbraw/zinc/39/08/79/264390879.db2.gz LQDHHEDUJVRRGU-INIZCTEOSA-N 1 2 293.411 1.684 20 30 CDEDLO CCOC[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000528721979 267141937 /nfs/dbraw/zinc/14/19/37/267141937.db2.gz RXKZPJGTJOMVFE-MRXNPFEDSA-N 1 2 290.363 1.674 20 30 CDEDLO CCOC[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000528721979 267141939 /nfs/dbraw/zinc/14/19/39/267141939.db2.gz RXKZPJGTJOMVFE-MRXNPFEDSA-N 1 2 290.363 1.674 20 30 CDEDLO Cc1cc(NCc2nn(C)cc2Cl)c(C#N)c[nH+]1 ZINC000399418790 267299647 /nfs/dbraw/zinc/29/96/47/267299647.db2.gz DTRKQZILAMCMAS-UHFFFAOYSA-N 1 2 261.716 1.683 20 30 CDEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCN1CCNC1=O ZINC000377275315 268062834 /nfs/dbraw/zinc/06/28/34/268062834.db2.gz HXROJGZZOIXZMV-HOTGVXAUSA-N 1 2 298.390 1.783 20 30 CDEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCN1CCNC1=O ZINC000377275315 268062836 /nfs/dbraw/zinc/06/28/36/268062836.db2.gz HXROJGZZOIXZMV-HOTGVXAUSA-N 1 2 298.390 1.783 20 30 CDEDLO CNC(=O)[C@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000399624187 270374111 /nfs/dbraw/zinc/37/41/11/270374111.db2.gz ZZQVHFQVCFMKLE-NSHDSACASA-N 1 2 258.325 1.224 20 30 CDEDLO Cc1noc(C)c1C[NH+]1CCN(c2ncncc2C#N)CC1 ZINC000570602736 294270917 /nfs/dbraw/zinc/27/09/17/294270917.db2.gz BBFBYAVJBZHCAF-UHFFFAOYSA-N 1 2 298.350 1.275 20 30 CDEDLO N#Cc1ccncc1N1CC[NH+](Cc2ncccc2O)CC1 ZINC000571236082 294394346 /nfs/dbraw/zinc/39/43/46/294394346.db2.gz WSZBNPCTQVOKSR-UHFFFAOYSA-N 1 2 295.346 1.376 20 30 CDEDLO Cc1cc(NCCO[C@H]2CCCCO2)c(C#N)c[nH+]1 ZINC000563530574 316325159 /nfs/dbraw/zinc/32/51/59/316325159.db2.gz BTUBADFAPIIBSG-AWEZNQCLSA-N 1 2 261.325 1.639 20 30 CDEDLO Cc1ccc(CCNc2nc3c(cc2C#N)COCC3)c[nH+]1 ZINC000576667331 317184293 /nfs/dbraw/zinc/18/42/93/317184293.db2.gz FOMDZHWUBPRDEL-UHFFFAOYSA-N 1 2 294.358 1.806 20 30 CDEDLO C=CCn1cc(CNc2cc(N3CCCC3)nc[nH+]2)nn1 ZINC000563618673 328077401 /nfs/dbraw/zinc/07/74/01/328077401.db2.gz CQASHQPJIKIDEH-UHFFFAOYSA-N 1 2 285.355 1.466 20 30 CDEDLO C=CCn1cc(CNc2cc(N3CCCC3)[nH+]cn2)nn1 ZINC000563618673 328077402 /nfs/dbraw/zinc/07/74/02/328077402.db2.gz CQASHQPJIKIDEH-UHFFFAOYSA-N 1 2 285.355 1.466 20 30 CDEDLO COC(=O)c1ccoc1CO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000266247089 328168488 /nfs/dbraw/zinc/16/84/88/328168488.db2.gz YZJWIPIINURHKL-JTQLQIEISA-N 1 2 298.339 1.916 20 30 CDEDLO C[C@@H](C#N)CN(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280909476 328236975 /nfs/dbraw/zinc/23/69/75/328236975.db2.gz FPKVALXTERXVSQ-JTQLQIEISA-N 1 2 257.297 1.958 20 30 CDEDLO CC(C)[C@H](NS(=O)(=O)CC(C)(C)CC#N)c1[nH]cc[nH+]1 ZINC000295855296 328287520 /nfs/dbraw/zinc/28/75/20/328287520.db2.gz DWKLGIYESLGMAB-NSHDSACASA-N 1 2 298.412 1.966 20 30 CDEDLO Cc1cc(N2CCS(=O)(=O)C[C@H](C)C2)c(C#N)c[nH+]1 ZINC000583080731 325102590 /nfs/dbraw/zinc/10/25/90/325102590.db2.gz LBIJEOKFMXVYTD-SNVBAGLBSA-N 1 2 279.365 1.133 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1cc(F)cc(F)c1 ZINC000569376097 327169371 /nfs/dbraw/zinc/16/93/71/327169371.db2.gz NCEJSCWTTMICPR-ZDUSSCGKSA-N 1 2 281.306 1.863 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000105903361 327243051 /nfs/dbraw/zinc/24/30/51/327243051.db2.gz CGKWXYVCROUHGZ-UHFFFAOYSA-N 1 2 295.390 1.904 20 30 CDEDLO COC(=O)CN(CC#N)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000080896470 330152808 /nfs/dbraw/zinc/15/28/08/330152808.db2.gz LNWPSEWRXBKABE-UHFFFAOYSA-N 1 2 284.319 1.371 20 30 CDEDLO C=CCn1cc(C[NH2+][C@H](C)c2cn(C)nc2C)nn1 ZINC000424296432 330336061 /nfs/dbraw/zinc/33/60/61/330336061.db2.gz OMPMXYARWTVFMA-SNVBAGLBSA-N 1 2 260.345 1.357 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000089151934 330380870 /nfs/dbraw/zinc/38/08/70/330380870.db2.gz FJYHJWSLGOVSTE-LSDHHAIUSA-N 1 2 294.395 1.067 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000089151934 330380871 /nfs/dbraw/zinc/38/08/71/330380871.db2.gz FJYHJWSLGOVSTE-LSDHHAIUSA-N 1 2 294.395 1.067 20 30 CDEDLO C[C@@H]1C[C@]1(C#N)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000451284074 331023132 /nfs/dbraw/zinc/02/31/32/331023132.db2.gz JDKOZJLVVBCJFD-IUODEOHRSA-N 1 2 279.384 1.105 20 30 CDEDLO C[C@@H]1C[C@]1(C#N)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000451284074 331023133 /nfs/dbraw/zinc/02/31/33/331023133.db2.gz JDKOZJLVVBCJFD-IUODEOHRSA-N 1 2 279.384 1.105 20 30 CDEDLO COCCN(CC#N)Cc1cn2cc(C)ccc2[nH+]1 ZINC000453603233 331136037 /nfs/dbraw/zinc/13/60/37/331136037.db2.gz XTOURKSWXDKXHZ-UHFFFAOYSA-N 1 2 258.325 1.615 20 30 CDEDLO C=CCc1cc(C[NH+]2CC(OC)C2)cc(OC)c1O ZINC000459583924 331289396 /nfs/dbraw/zinc/28/93/96/331289396.db2.gz PRBPGAZEIQIGSW-UHFFFAOYSA-N 1 2 263.337 1.960 20 30 CDEDLO C=C(C)COCCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000488508481 332014681 /nfs/dbraw/zinc/01/46/81/332014681.db2.gz ZTUBXLZUOKZVMK-GFCCVEGCSA-N 1 2 278.356 1.090 20 30 CDEDLO C=CCCCS(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000489352948 332048245 /nfs/dbraw/zinc/04/82/45/332048245.db2.gz PPRUPRIZHIQWOV-UHFFFAOYSA-N 1 2 272.414 1.453 20 30 CDEDLO C#CCN(CC#CC)C(=O)NCCCNc1cccc[nH+]1 ZINC000490711963 332106897 /nfs/dbraw/zinc/10/68/97/332106897.db2.gz BOLYLINTSAIKMW-UHFFFAOYSA-N 1 2 284.363 1.552 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cc(=O)n2ccccc2n1 ZINC000490840133 332119330 /nfs/dbraw/zinc/11/93/30/332119330.db2.gz LTZVUUDUDMZERE-UHFFFAOYSA-N 1 2 265.316 1.153 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cc(=O)n2ccccc2n1 ZINC000490840133 332119331 /nfs/dbraw/zinc/11/93/31/332119331.db2.gz LTZVUUDUDMZERE-UHFFFAOYSA-N 1 2 265.316 1.153 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2CC=C)CC1 ZINC000491145672 332156134 /nfs/dbraw/zinc/15/61/34/332156134.db2.gz LPPFUZOPZKIKOI-UHFFFAOYSA-N 1 2 273.384 1.343 20 30 CDEDLO C#C[C@H](CC)NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000491288819 332182325 /nfs/dbraw/zinc/18/23/25/332182325.db2.gz VFMNPHSUMQHOTM-GFCCVEGCSA-N 1 2 296.330 1.339 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)c1c(C)[nH]c(C(=O)OCC)c1C ZINC000491438705 332211386 /nfs/dbraw/zinc/21/13/86/332211386.db2.gz FVDDDWWARNVQLX-JTQLQIEISA-N 1 2 290.363 1.944 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)c1c(C)[nH]c(C(=O)OCC)c1C ZINC000491438705 332211388 /nfs/dbraw/zinc/21/13/88/332211388.db2.gz FVDDDWWARNVQLX-JTQLQIEISA-N 1 2 290.363 1.944 20 30 CDEDLO C#C[C@@H]1COCCN1C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000491555319 332237470 /nfs/dbraw/zinc/23/74/70/332237470.db2.gz QJSLIIGNGWPNOK-CYBMUJFWSA-N 1 2 284.319 1.509 20 30 CDEDLO C#C[C@@H](CC)NC(=O)[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000491670599 332277721 /nfs/dbraw/zinc/27/77/21/332277721.db2.gz DMBFICFHQPDCOZ-GJZGRUSLSA-N 1 2 280.412 1.651 20 30 CDEDLO C#C[C@H]1COCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000491682789 332285272 /nfs/dbraw/zinc/28/52/72/332285272.db2.gz UTFAKSYIXCTMKJ-INIZCTEOSA-N 1 2 295.342 1.406 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)CCNC(=O)NC(C)C)n1 ZINC000491740523 332319585 /nfs/dbraw/zinc/31/95/85/332319585.db2.gz HRKVHOFGKIJJIE-UHFFFAOYSA-N 1 2 291.399 1.046 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)CCNC(=O)NC(C)C)n1 ZINC000491740523 332319587 /nfs/dbraw/zinc/31/95/87/332319587.db2.gz HRKVHOFGKIJJIE-UHFFFAOYSA-N 1 2 291.399 1.046 20 30 CDEDLO C#CCN(CC#N)C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000491768434 332335968 /nfs/dbraw/zinc/33/59/68/332335968.db2.gz JIVQYXQPGSQCQD-JTQLQIEISA-N 1 2 298.268 1.441 20 30 CDEDLO C#C[C@H](CCC)NC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000491777497 332342750 /nfs/dbraw/zinc/34/27/50/332342750.db2.gz ZVLCSCHXZWQUOY-GFCCVEGCSA-N 1 2 273.336 1.555 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@@](CC)(C2CC2)C1=O ZINC000491804028 332357924 /nfs/dbraw/zinc/35/79/24/332357924.db2.gz KFSFBMCOSHEMMC-YGRLFVJLSA-N 1 2 263.341 1.008 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@@](CC)(C2CC2)C1=O ZINC000491804028 332357925 /nfs/dbraw/zinc/35/79/25/332357925.db2.gz KFSFBMCOSHEMMC-YGRLFVJLSA-N 1 2 263.341 1.008 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1Cc2ccc(C(=O)OC)cc2C1=O ZINC000491820368 332370207 /nfs/dbraw/zinc/37/02/07/332370207.db2.gz XJWKTYLKMLBFTM-NSHDSACASA-N 1 2 286.331 1.340 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1Cc2ccc(C(=O)OC)cc2C1=O ZINC000491820368 332370208 /nfs/dbraw/zinc/37/02/08/332370208.db2.gz XJWKTYLKMLBFTM-NSHDSACASA-N 1 2 286.331 1.340 20 30 CDEDLO COc1ccc(/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000493164391 332428919 /nfs/dbraw/zinc/42/89/19/332428919.db2.gz LLPGQWYCVSBSHX-BSDKJSHOSA-N 1 2 287.363 1.668 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000575927857 335132442 /nfs/dbraw/zinc/13/24/42/335132442.db2.gz SVNSFGIALQSRNG-RYUDHWBXSA-N 1 2 251.330 1.135 20 30 CDEDLO N#CC1(C(=O)N2CC(n3cc[nH+]c3)C2)CCCCC1 ZINC000524375462 333361070 /nfs/dbraw/zinc/36/10/70/333361070.db2.gz SPADAMDVFVUMKA-UHFFFAOYSA-N 1 2 258.325 1.740 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN(CC)C(=O)[C@H]1CC ZINC000548299765 334149603 /nfs/dbraw/zinc/14/96/03/334149603.db2.gz IPSGLAFJFURLOJ-CQSZACIVSA-N 1 2 295.427 1.354 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN(CC)C(=O)[C@H]1CC ZINC000548299765 334149604 /nfs/dbraw/zinc/14/96/04/334149604.db2.gz IPSGLAFJFURLOJ-CQSZACIVSA-N 1 2 295.427 1.354 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C ZINC000565171202 334542308 /nfs/dbraw/zinc/54/23/08/334542308.db2.gz MHXXBRRHDOPEKM-UPJWGTAASA-N 1 2 294.399 1.673 20 30 CDEDLO CN(C)c1cccnc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000565806763 334598546 /nfs/dbraw/zinc/59/85/46/334598546.db2.gz KDBNQLSTTSJDPJ-GFCCVEGCSA-N 1 2 257.341 1.681 20 30 CDEDLO COCC#CC[NH+]1CCN(c2cccs2)CC1 ZINC000677819801 482300456 /nfs/dbraw/zinc/30/04/56/482300456.db2.gz AOPZMNJZPVUVTQ-UHFFFAOYSA-N 1 2 250.367 1.520 20 30 CDEDLO CC#CCCCC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000681038955 482666012 /nfs/dbraw/zinc/66/60/12/482666012.db2.gz FTXKKXWJHXCXQA-UHFFFAOYSA-N 1 2 258.321 1.865 20 30 CDEDLO N#CCCN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Cc1ccco1 ZINC000362043260 483056359 /nfs/dbraw/zinc/05/63/59/483056359.db2.gz WJIUTVLGUYEQFL-IYBDPMFKSA-N 1 2 289.379 1.858 20 30 CDEDLO N#CCCN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Cc1ccco1 ZINC000362043260 483056365 /nfs/dbraw/zinc/05/63/65/483056365.db2.gz WJIUTVLGUYEQFL-IYBDPMFKSA-N 1 2 289.379 1.858 20 30 CDEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](F)CC)c2C1 ZINC001128442552 1161471048 /nfs/dbraw/zinc/47/10/48/1161471048.db2.gz IBDFLZKXQDNTNU-CYBMUJFWSA-N 1 2 294.374 1.639 20 30 CDEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H](F)CC)c2C1 ZINC001128442552 1161471051 /nfs/dbraw/zinc/47/10/51/1161471051.db2.gz IBDFLZKXQDNTNU-CYBMUJFWSA-N 1 2 294.374 1.639 20 30 CDEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)c(C)o3)[C@H]2C1 ZINC001083051198 1161584057 /nfs/dbraw/zinc/58/40/57/1161584057.db2.gz WQGHSBQPCHPSRN-DZGCQCFKSA-N 1 2 290.363 1.608 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C)c(C)o3)[C@H]2C1 ZINC001083051198 1161584064 /nfs/dbraw/zinc/58/40/64/1161584064.db2.gz WQGHSBQPCHPSRN-DZGCQCFKSA-N 1 2 290.363 1.608 20 30 CDEDLO C[C@H](C#N)C(=O)NCC1([NH2+]Cc2cscn2)CC1 ZINC001716677975 1180363462 /nfs/dbraw/zinc/36/34/62/1180363462.db2.gz PPBQLXWZKJMDFU-SECBINFHSA-N 1 2 264.354 1.041 20 30 CDEDLO C[C@@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)[NH+]1CCOCC1 ZINC000333250034 534015568 /nfs/dbraw/zinc/01/55/68/534015568.db2.gz YBKUKKRHYVSPLT-BBRMVZONSA-N 1 2 291.395 1.297 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)C(C)(C)C1 ZINC001755407584 1185944118 /nfs/dbraw/zinc/94/41/18/1185944118.db2.gz NCADHXJHRBNFDX-CYBMUJFWSA-N 1 2 280.799 1.979 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C#CC2CC2)C(C)(C)C1 ZINC001755407584 1185944122 /nfs/dbraw/zinc/94/41/22/1185944122.db2.gz NCADHXJHRBNFDX-CYBMUJFWSA-N 1 2 280.799 1.979 20 30 CDEDLO N#CC1(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)CC1 ZINC000352687114 534549484 /nfs/dbraw/zinc/54/94/84/534549484.db2.gz URSNETGEPGGPEV-UWVGGRQHSA-N 1 2 262.275 1.783 20 30 CDEDLO N#CC1(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)CC1 ZINC000352687114 534549487 /nfs/dbraw/zinc/54/94/87/534549487.db2.gz URSNETGEPGGPEV-UWVGGRQHSA-N 1 2 262.275 1.783 20 30 CDEDLO C=CCCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000263695974 534615450 /nfs/dbraw/zinc/61/54/50/534615450.db2.gz SOTYDQQDJJYYRU-INIZCTEOSA-N 1 2 288.391 1.970 20 30 CDEDLO C=CCCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000263695974 534615458 /nfs/dbraw/zinc/61/54/58/534615458.db2.gz SOTYDQQDJJYYRU-INIZCTEOSA-N 1 2 288.391 1.970 20 30 CDEDLO CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156020656 523294373 /nfs/dbraw/zinc/29/43/73/523294373.db2.gz KNLNHXFEYVWZOS-OAHLLOKOSA-N 1 2 294.358 1.976 20 30 CDEDLO Cc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)o1 ZINC000246196426 524461631 /nfs/dbraw/zinc/46/16/31/524461631.db2.gz LPALJDMOXDRRBW-GFCCVEGCSA-N 1 2 297.362 1.960 20 30 CDEDLO Cc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)o1 ZINC000246196426 524461634 /nfs/dbraw/zinc/46/16/34/524461634.db2.gz LPALJDMOXDRRBW-GFCCVEGCSA-N 1 2 297.362 1.960 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)NCCn1cc[nH+]c1 ZINC000337779238 525541762 /nfs/dbraw/zinc/54/17/62/525541762.db2.gz ZZVWWNBOOOJZCC-UHFFFAOYSA-N 1 2 254.293 1.493 20 30 CDEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H](C)[NH+](C)C)cc1C#N ZINC000341118114 526214982 /nfs/dbraw/zinc/21/49/82/526214982.db2.gz GFISYYCAOJNOIQ-QMMMGPOBSA-N 1 2 294.380 1.061 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000332685932 526636011 /nfs/dbraw/zinc/63/60/11/526636011.db2.gz JCXUQVOVKOKVGG-NSHDSACASA-N 1 2 260.337 1.441 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCc2ccc(O)cc2C1 ZINC000332685932 526636012 /nfs/dbraw/zinc/63/60/12/526636012.db2.gz JCXUQVOVKOKVGG-NSHDSACASA-N 1 2 260.337 1.441 20 30 CDEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C)C#N)C2 ZINC000336537371 528321691 /nfs/dbraw/zinc/32/16/91/528321691.db2.gz WLRSATVIUYWMTA-ZJUUUORDSA-N 1 2 260.341 1.666 20 30 CDEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C)C#N)CC2 ZINC000336537371 528321695 /nfs/dbraw/zinc/32/16/95/528321695.db2.gz WLRSATVIUYWMTA-ZJUUUORDSA-N 1 2 260.341 1.666 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000331571180 528624155 /nfs/dbraw/zinc/62/41/55/528624155.db2.gz ZMKJHKNXLNJZGW-GXTWGEPZSA-N 1 2 279.384 1.105 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000331571180 528624161 /nfs/dbraw/zinc/62/41/61/528624161.db2.gz ZMKJHKNXLNJZGW-GXTWGEPZSA-N 1 2 279.384 1.105 20 30 CDEDLO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000330178667 529345574 /nfs/dbraw/zinc/34/55/74/529345574.db2.gz DWPLIDCJBFUZRM-VXGBXAGGSA-N 1 2 278.356 1.223 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)/C=C\c1ccccc1C#N ZINC000728544293 574636647 /nfs/dbraw/zinc/63/66/47/574636647.db2.gz BMZFATQZVGVCLR-SREVYHEPSA-N 1 2 266.304 1.621 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000728799263 574648176 /nfs/dbraw/zinc/64/81/76/574648176.db2.gz NWMDOIOTICIQAE-UHFFFAOYSA-N 1 2 292.342 1.420 20 30 CDEDLO C#Cc1ccc(C(=O)NCCc2cn3ccccc3[nH+]2)cn1 ZINC000728806321 574648812 /nfs/dbraw/zinc/64/88/12/574648812.db2.gz XRAZONRILHZTDM-UHFFFAOYSA-N 1 2 290.326 1.683 20 30 CDEDLO COc1ccc(O)c(/C=[NH+]/Cc2nnnn2CC2CC2)c1 ZINC000769718729 575377741 /nfs/dbraw/zinc/37/77/41/575377741.db2.gz UJWBUWVACRPSSW-VIZOYTHASA-N 1 2 287.323 1.416 20 30 CDEDLO C=C1CC[NH+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735403061 575465539 /nfs/dbraw/zinc/46/55/39/575465539.db2.gz OKMXGWRZWLYVOB-UHFFFAOYSA-N 1 2 298.350 1.457 20 30 CDEDLO Cc1cc(=O)[nH]c(NN=Cc2cccc3[nH+]ccn32)n1 ZINC000771097879 575548615 /nfs/dbraw/zinc/54/86/15/575548615.db2.gz KYLFMGCEVKJRFW-UHFFFAOYSA-N 1 2 268.280 1.584 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)O[NH+]=C(N)COC(C)(C)C ZINC000768932834 576318287 /nfs/dbraw/zinc/31/82/87/576318287.db2.gz QEFNXZFSYROTDQ-GFCCVEGCSA-N 1 2 297.399 1.889 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](CCC#N)CC(C)C ZINC000739914868 576397760 /nfs/dbraw/zinc/39/77/60/576397760.db2.gz PZNOBOAJGNYRNB-UHFFFAOYSA-N 1 2 264.373 1.620 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](CCC#N)CC(C)C ZINC000739914868 576397762 /nfs/dbraw/zinc/39/77/62/576397762.db2.gz PZNOBOAJGNYRNB-UHFFFAOYSA-N 1 2 264.373 1.620 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)nc1 ZINC000759469098 576392393 /nfs/dbraw/zinc/39/23/93/576392393.db2.gz JRJLRYDQHQCAQN-CZUORRHYSA-N 1 2 294.358 1.983 20 30 CDEDLO C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC[S@]1=O ZINC000759867902 576438843 /nfs/dbraw/zinc/43/88/43/576438843.db2.gz KGWPIPPPUXSNML-UFAGZECESA-N 1 2 292.404 1.435 20 30 CDEDLO C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC[S@]1=O ZINC000759867902 576438845 /nfs/dbraw/zinc/43/88/45/576438845.db2.gz KGWPIPPPUXSNML-UFAGZECESA-N 1 2 292.404 1.435 20 30 CDEDLO C[C@H](C(=O)O[C@@H](C)C#N)[N@@H+]1CCc2ccccc2C1 ZINC000740986467 576529430 /nfs/dbraw/zinc/52/94/30/576529430.db2.gz CCAUHWPRFQQOGB-NWDGAFQWSA-N 1 2 258.321 1.888 20 30 CDEDLO C[C@H](C(=O)O[C@@H](C)C#N)[N@H+]1CCc2ccccc2C1 ZINC000740986467 576529433 /nfs/dbraw/zinc/52/94/33/576529433.db2.gz CCAUHWPRFQQOGB-NWDGAFQWSA-N 1 2 258.321 1.888 20 30 CDEDLO C[N@@H+](Cc1nnc2n1CCC2)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763413951 576735871 /nfs/dbraw/zinc/73/58/71/576735871.db2.gz QJISFFXFXDAUMH-CQSZACIVSA-N 1 2 297.362 1.261 20 30 CDEDLO C[N@H+](Cc1nnc2n1CCC2)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763413951 576735873 /nfs/dbraw/zinc/73/58/73/576735873.db2.gz QJISFFXFXDAUMH-CQSZACIVSA-N 1 2 297.362 1.261 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C1CC1 ZINC000763950363 576767738 /nfs/dbraw/zinc/76/77/38/576767738.db2.gz UJFJEFCCAQDVQI-UHFFFAOYSA-N 1 2 284.319 1.305 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C1CC1 ZINC000763950363 576767739 /nfs/dbraw/zinc/76/77/39/576767739.db2.gz UJFJEFCCAQDVQI-UHFFFAOYSA-N 1 2 284.319 1.305 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(OCC)n1 ZINC000746639136 576787574 /nfs/dbraw/zinc/78/75/74/576787574.db2.gz CKPUFNGQNQFEMQ-LBPRGKRZSA-N 1 2 273.336 1.516 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(OCC)n1 ZINC000746639136 576787575 /nfs/dbraw/zinc/78/75/75/576787575.db2.gz CKPUFNGQNQFEMQ-LBPRGKRZSA-N 1 2 273.336 1.516 20 30 CDEDLO C=CCNC(=S)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000753676469 576853684 /nfs/dbraw/zinc/85/36/84/576853684.db2.gz ONHUSMNPAVTFRB-LLVKDONJSA-N 1 2 262.382 1.310 20 30 CDEDLO C#C[C@H](CC)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000754379075 576893885 /nfs/dbraw/zinc/89/38/85/576893885.db2.gz GNHFAUQTCFTTQV-MRXNPFEDSA-N 1 2 286.375 1.660 20 30 CDEDLO N#Cc1ccc(NCCNc2cc[nH+]c3ccncc23)nc1 ZINC000754472167 576897939 /nfs/dbraw/zinc/89/79/39/576897939.db2.gz PWWRUOQIEOABSR-UHFFFAOYSA-N 1 2 290.330 1.842 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)CC(C)(C)C1=O ZINC000748785231 576925104 /nfs/dbraw/zinc/92/51/04/576925104.db2.gz JABLEYSVGYQZEH-UHFFFAOYSA-N 1 2 285.347 1.733 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)CC(C)(C)C1=O ZINC000748785231 576925105 /nfs/dbraw/zinc/92/51/05/576925105.db2.gz JABLEYSVGYQZEH-UHFFFAOYSA-N 1 2 285.347 1.733 20 30 CDEDLO Cc1[nH]c[nH+]c1C=NN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000755541852 576949399 /nfs/dbraw/zinc/94/93/99/576949399.db2.gz IHMJLNQMWKZVFY-OAHLLOKOSA-N 1 2 297.318 1.519 20 30 CDEDLO Cn1c[nH+]cc1C=Nn1cnc2ccccc2c1=O ZINC000755590855 576950741 /nfs/dbraw/zinc/95/07/41/576950741.db2.gz QAOAHADLOUSUTO-UHFFFAOYSA-N 1 2 253.265 1.012 20 30 CDEDLO Cc1[nH+]cc(C=NN2CC(=O)NC2=O)n1-c1ccccc1 ZINC000755611757 576951995 /nfs/dbraw/zinc/95/19/95/576951995.db2.gz PSHXZIQVNKYUSR-UHFFFAOYSA-N 1 2 283.291 1.066 20 30 CDEDLO CC(C)C[N@H+](CCC#N)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000755669919 576954558 /nfs/dbraw/zinc/95/45/58/576954558.db2.gz MCVGFUFWYQEAHN-OAHLLOKOSA-N 1 2 276.384 1.667 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000755669919 576954559 /nfs/dbraw/zinc/95/45/59/576954559.db2.gz MCVGFUFWYQEAHN-OAHLLOKOSA-N 1 2 276.384 1.667 20 30 CDEDLO FC(F)CN[NH+]=Cc1cnc(N2CCOCC2)s1 ZINC000755740724 576958398 /nfs/dbraw/zinc/95/83/98/576958398.db2.gz WPJCENJYLNZRHD-UHFFFAOYSA-N 1 2 276.312 1.168 20 30 CDEDLO C(=[NH+]O[C@@H]1CCCCO1)c1cnc(N2CCCC2)nc1 ZINC000755821777 576963206 /nfs/dbraw/zinc/96/32/06/576963206.db2.gz IAAZGXSLLHDOAZ-CYBMUJFWSA-N 1 2 276.340 1.954 20 30 CDEDLO C=C(Cl)CNC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000750244832 576982290 /nfs/dbraw/zinc/98/22/90/576982290.db2.gz AIEOQMYACGJLIC-UHFFFAOYSA-N 1 2 296.758 1.263 20 30 CDEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)[nH]1 ZINC000751686006 577058705 /nfs/dbraw/zinc/05/87/05/577058705.db2.gz AYJCVTVEYJVCKL-CYBMUJFWSA-N 1 2 285.351 1.928 20 30 CDEDLO C=CCn1nnn(C[N@H+]2C[C@H](C)[C@H](C)C2)c1=S ZINC000751929633 577075117 /nfs/dbraw/zinc/07/51/17/577075117.db2.gz QTLSPKPEFJTFDC-AOOOYVTPSA-N 1 2 253.375 1.540 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1=S ZINC000751929633 577075118 /nfs/dbraw/zinc/07/51/18/577075118.db2.gz QTLSPKPEFJTFDC-AOOOYVTPSA-N 1 2 253.375 1.540 20 30 CDEDLO COC(=O)C[C@H]1CCCC[N@@H+]1Cn1cccc(C#N)c1=O ZINC000758197524 577080851 /nfs/dbraw/zinc/08/08/51/577080851.db2.gz LBRVWKZSTLUNKT-CYBMUJFWSA-N 1 2 289.335 1.095 20 30 CDEDLO COC(=O)C[C@H]1CCCC[N@H+]1Cn1cccc(C#N)c1=O ZINC000758197524 577080853 /nfs/dbraw/zinc/08/08/53/577080853.db2.gz LBRVWKZSTLUNKT-CYBMUJFWSA-N 1 2 289.335 1.095 20 30 CDEDLO C#CCNC(=S)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000758217739 577083770 /nfs/dbraw/zinc/08/37/70/577083770.db2.gz OOYFAWPJGHGTQV-UHFFFAOYSA-N 1 2 270.361 1.470 20 30 CDEDLO Cc1ccn(C[N@@H+]2CC[C@@]3(CCOC3)C2)c(=O)c1C#N ZINC000758236164 577087896 /nfs/dbraw/zinc/08/78/96/577087896.db2.gz LVBMSHBQSAEXAN-OAHLLOKOSA-N 1 2 273.336 1.098 20 30 CDEDLO Cc1ccn(C[N@H+]2CC[C@@]3(CCOC3)C2)c(=O)c1C#N ZINC000758236164 577087899 /nfs/dbraw/zinc/08/78/99/577087899.db2.gz LVBMSHBQSAEXAN-OAHLLOKOSA-N 1 2 273.336 1.098 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(OC)ccc1O ZINC000759311506 577167564 /nfs/dbraw/zinc/16/75/64/577167564.db2.gz VQZWJCNORHBKEW-ZDUSSCGKSA-N 1 2 274.320 1.437 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(OC)ccc1O ZINC000759311506 577167565 /nfs/dbraw/zinc/16/75/65/577167565.db2.gz VQZWJCNORHBKEW-ZDUSSCGKSA-N 1 2 274.320 1.437 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@]23C[C@H]2CCC3)C1 ZINC000950935854 612990889 /nfs/dbraw/zinc/99/08/89/612990889.db2.gz CYTRFFLTVCBDJB-CZUORRHYSA-N 1 2 260.381 1.733 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000890656158 617251588 /nfs/dbraw/zinc/25/15/88/617251588.db2.gz UNBSBIQJJBGMCN-QWHCGFSZSA-N 1 2 257.337 1.460 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@H+](Cc1ccon1)C2 ZINC000981669323 617287713 /nfs/dbraw/zinc/28/77/13/617287713.db2.gz LRBRIFSWZYKMRY-LBPRGKRZSA-N 1 2 288.351 1.259 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](Cc1ccon1)C2 ZINC000981669323 617287714 /nfs/dbraw/zinc/28/77/14/617287714.db2.gz LRBRIFSWZYKMRY-LBPRGKRZSA-N 1 2 288.351 1.259 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccnc(F)c2)C1 ZINC000949763816 612992635 /nfs/dbraw/zinc/99/26/35/612992635.db2.gz LPKOAAYTOCLNRI-UHFFFAOYSA-N 1 2 275.327 1.390 20 30 CDEDLO C#CC[NH+]1CC([C@H](C)NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC000969858835 613127695 /nfs/dbraw/zinc/12/76/95/613127695.db2.gz ZZDDOTIEVLLWJR-VIFPVBQESA-N 1 2 294.786 1.309 20 30 CDEDLO C#CC[N@H+]1CCCCC[C@H]1CNC(=O)c1[nH]ncc1F ZINC000969011588 613150165 /nfs/dbraw/zinc/15/01/65/613150165.db2.gz SDZCHVSSKXAXOQ-NSHDSACASA-N 1 2 278.331 1.156 20 30 CDEDLO C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1[nH]ncc1F ZINC000969011588 613150166 /nfs/dbraw/zinc/15/01/66/613150166.db2.gz SDZCHVSSKXAXOQ-NSHDSACASA-N 1 2 278.331 1.156 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Cc2cc3ccccc3n2C)CC1 ZINC000957840671 613206305 /nfs/dbraw/zinc/20/63/05/613206305.db2.gz XHIRAWVOTPAVBR-UHFFFAOYSA-N 1 2 295.386 1.498 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](OC)C2CCC2)CC1 ZINC000949516491 613317825 /nfs/dbraw/zinc/31/78/25/613317825.db2.gz YYMRZOBNUBOJBM-AWEZNQCLSA-N 1 2 266.385 1.522 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H]2C[C@H](C)CO2)CC1 ZINC000949368147 613318344 /nfs/dbraw/zinc/31/83/44/613318344.db2.gz VFJDYBOYZGKGEB-STQMWFEESA-N 1 2 252.358 1.132 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc3nccn3c2)CC1 ZINC000957286984 613320811 /nfs/dbraw/zinc/32/08/11/613320811.db2.gz QNBBECITELYFGW-UHFFFAOYSA-N 1 2 284.363 1.668 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2nnc3ccccc3n2)CC1 ZINC000949323383 613322229 /nfs/dbraw/zinc/32/22/29/613322229.db2.gz FWUSKSYBKOWYPC-UHFFFAOYSA-N 1 2 297.362 1.359 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnn(CC)c2)C1 ZINC000969405180 613372065 /nfs/dbraw/zinc/37/20/65/613372065.db2.gz XYAAVMFDBIVGOV-LLVKDONJSA-N 1 2 296.802 1.706 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H]2CCO[C@@H](CC)C2)CC1 ZINC000957107206 613563310 /nfs/dbraw/zinc/56/33/10/613563310.db2.gz OGDAYXJNWQKNRP-HOTGVXAUSA-N 1 2 292.423 1.749 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccns2)C1 ZINC000966494477 613592517 /nfs/dbraw/zinc/59/25/17/613592517.db2.gz XMZJCTGCXVCORC-RYUDHWBXSA-N 1 2 277.393 1.607 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccns2)C1 ZINC000966494477 613592518 /nfs/dbraw/zinc/59/25/18/613592518.db2.gz XMZJCTGCXVCORC-RYUDHWBXSA-N 1 2 277.393 1.607 20 30 CDEDLO CC#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000974734151 613621861 /nfs/dbraw/zinc/62/18/61/613621861.db2.gz VLUANZGUKTTWPT-CABCVRRESA-N 1 2 291.439 1.321 20 30 CDEDLO CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000974734151 613621862 /nfs/dbraw/zinc/62/18/62/613621862.db2.gz VLUANZGUKTTWPT-CABCVRRESA-N 1 2 291.439 1.321 20 30 CDEDLO CC#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCCN2C)C(C)(C)C1 ZINC000974734151 613621865 /nfs/dbraw/zinc/62/18/65/613621865.db2.gz VLUANZGUKTTWPT-CABCVRRESA-N 1 2 291.439 1.321 20 30 CDEDLO CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCCN2C)C(C)(C)C1 ZINC000974734151 613621866 /nfs/dbraw/zinc/62/18/66/613621866.db2.gz VLUANZGUKTTWPT-CABCVRRESA-N 1 2 291.439 1.321 20 30 CDEDLO CC#CCN1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000974734151 613621868 /nfs/dbraw/zinc/62/18/68/613621868.db2.gz VLUANZGUKTTWPT-CABCVRRESA-N 1 2 291.439 1.321 20 30 CDEDLO CC#CCN1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000974734151 613621869 /nfs/dbraw/zinc/62/18/69/613621869.db2.gz VLUANZGUKTTWPT-CABCVRRESA-N 1 2 291.439 1.321 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@H]2C(C)C)C1 ZINC000957059122 613655988 /nfs/dbraw/zinc/65/59/88/613655988.db2.gz NFYGBGNOQSKRQY-KBPBESRZSA-N 1 2 250.386 1.997 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cccc3nc[nH]c32)C1 ZINC000957034867 613657847 /nfs/dbraw/zinc/65/78/47/613657847.db2.gz SYZGXHSYDFYHJV-UHFFFAOYSA-N 1 2 284.363 1.895 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccc3c(c2)CCO3)C1 ZINC000952322536 613658045 /nfs/dbraw/zinc/65/80/45/613658045.db2.gz BIJKDKDRLCCVTI-UHFFFAOYSA-N 1 2 286.375 1.954 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CC[C@H]2CC(C)(C)CO2)CC1 ZINC000957464672 613707339 /nfs/dbraw/zinc/70/73/39/613707339.db2.gz KTIDMSONUIHMGE-AWEZNQCLSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCO[C@@H]2CC)CC1 ZINC000948698467 613711133 /nfs/dbraw/zinc/71/11/33/613711133.db2.gz GBBWTIYLXSCDPF-ZIAGYGMSSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000957084567 613713346 /nfs/dbraw/zinc/71/33/46/613713346.db2.gz LMOOPQACPVJGRT-GJZGRUSLSA-N 1 2 280.412 1.768 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccnc(C3CC3)c2)CC1 ZINC000949121402 613717486 /nfs/dbraw/zinc/71/74/86/613717486.db2.gz KVIMVKPXCVFKQD-UHFFFAOYSA-N 1 2 271.364 1.903 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ncccc2CC)CC1 ZINC000949012524 613718957 /nfs/dbraw/zinc/71/89/57/613718957.db2.gz ZXQONTJKBGAQKN-UHFFFAOYSA-N 1 2 259.353 1.588 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(F)CCCC3)C2)C1 ZINC000972440784 613722628 /nfs/dbraw/zinc/72/26/28/613722628.db2.gz LCLGOBCXDKJUFE-HNNXBMFYSA-N 1 2 296.386 1.758 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(F)CCCC3)C2)C1 ZINC000972440784 613722632 /nfs/dbraw/zinc/72/26/32/613722632.db2.gz LCLGOBCXDKJUFE-HNNXBMFYSA-N 1 2 296.386 1.758 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3conc3C)C2)C1 ZINC000972529061 613724133 /nfs/dbraw/zinc/72/41/33/613724133.db2.gz XILZAATZKUOQOW-HNNXBMFYSA-N 1 2 291.351 1.086 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3conc3C)C2)C1 ZINC000972529061 613724134 /nfs/dbraw/zinc/72/41/34/613724134.db2.gz XILZAATZKUOQOW-HNNXBMFYSA-N 1 2 291.351 1.086 20 30 CDEDLO C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC000967158172 613731357 /nfs/dbraw/zinc/73/13/57/613731357.db2.gz UFWLYKRLCHQQRE-RISCZKNCSA-N 1 2 288.395 1.525 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC000967158172 613731358 /nfs/dbraw/zinc/73/13/58/613731358.db2.gz UFWLYKRLCHQQRE-RISCZKNCSA-N 1 2 288.395 1.525 20 30 CDEDLO N#Cc1cc(N2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])s1 ZINC000892076195 617464861 /nfs/dbraw/zinc/46/48/61/617464861.db2.gz SQRZIKYNVKRQCA-UHFFFAOYSA-N 1 2 278.337 1.812 20 30 CDEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)o1 ZINC000891580899 617490757 /nfs/dbraw/zinc/49/07/57/617490757.db2.gz QXSFQWYVSUHXPI-UHFFFAOYSA-N 1 2 298.346 1.877 20 30 CDEDLO C#CC[N@@H+](CCCCC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000891747109 617566599 /nfs/dbraw/zinc/56/65/99/617566599.db2.gz GLAWXKNGHNUFQK-AWEZNQCLSA-N 1 2 271.426 1.935 20 30 CDEDLO C#CC[N@H+](CCCCC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000891747109 617566602 /nfs/dbraw/zinc/56/66/02/617566602.db2.gz GLAWXKNGHNUFQK-AWEZNQCLSA-N 1 2 271.426 1.935 20 30 CDEDLO COC(=O)[C@H](C)Oc1ccccc1C[NH2+]C[C@@H](C)C#N ZINC000893543661 618079523 /nfs/dbraw/zinc/07/95/23/618079523.db2.gz DUXUBZRDSCATHL-RYUDHWBXSA-N 1 2 276.336 1.876 20 30 CDEDLO COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]CCC#N ZINC000894083621 618344601 /nfs/dbraw/zinc/34/46/01/618344601.db2.gz OHIRQKMKPFKFHG-LLVKDONJSA-N 1 2 262.309 1.630 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910783722 618481675 /nfs/dbraw/zinc/48/16/75/618481675.db2.gz JONUMUYZYQLYBM-CYBMUJFWSA-N 1 2 269.348 1.633 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910783722 618481695 /nfs/dbraw/zinc/48/16/95/618481695.db2.gz JONUMUYZYQLYBM-CYBMUJFWSA-N 1 2 269.348 1.633 20 30 CDEDLO Cn1nc(C[NH2+][C@H]2CCCN(O)C2=O)c2ccccc21 ZINC000895166081 619395201 /nfs/dbraw/zinc/39/52/01/619395201.db2.gz OXXUKVQUGMEGPR-NSHDSACASA-N 1 2 274.324 1.043 20 30 CDEDLO Cc1ccc(C#N)c(N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)n1 ZINC000895245005 619485469 /nfs/dbraw/zinc/48/54/69/619485469.db2.gz CBJASFDEFOMYGN-JSGCOSHPSA-N 1 2 273.384 1.308 20 30 CDEDLO Cc1ccc(C#N)c(N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)n1 ZINC000895245005 619485471 /nfs/dbraw/zinc/48/54/71/619485471.db2.gz CBJASFDEFOMYGN-JSGCOSHPSA-N 1 2 273.384 1.308 20 30 CDEDLO Cc1ccc(C#N)c(N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)n1 ZINC000895245006 619485637 /nfs/dbraw/zinc/48/56/37/619485637.db2.gz CBJASFDEFOMYGN-OCCSQVGLSA-N 1 2 273.384 1.308 20 30 CDEDLO Cc1ccc(C#N)c(N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)n1 ZINC000895245006 619485639 /nfs/dbraw/zinc/48/56/39/619485639.db2.gz CBJASFDEFOMYGN-OCCSQVGLSA-N 1 2 273.384 1.308 20 30 CDEDLO Cc1ccnc(N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)c1C#N ZINC000895248094 619488254 /nfs/dbraw/zinc/48/82/54/619488254.db2.gz YOSAAHFRSYCBJV-GXTWGEPZSA-N 1 2 273.384 1.308 20 30 CDEDLO Cc1ccnc(N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)c1C#N ZINC000895248094 619488256 /nfs/dbraw/zinc/48/82/56/619488256.db2.gz YOSAAHFRSYCBJV-GXTWGEPZSA-N 1 2 273.384 1.308 20 30 CDEDLO C=CCSCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000895958294 619922060 /nfs/dbraw/zinc/92/20/60/619922060.db2.gz MUEFJISLOVOOOG-CYBMUJFWSA-N 1 2 294.424 1.825 20 30 CDEDLO C=CCSCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000895958294 619922061 /nfs/dbraw/zinc/92/20/61/619922061.db2.gz MUEFJISLOVOOOG-CYBMUJFWSA-N 1 2 294.424 1.825 20 30 CDEDLO CCc1nc(C#N)cc(N2CCc3c([nH+]cn3CC)C2)n1 ZINC000896653201 620183875 /nfs/dbraw/zinc/18/38/75/620183875.db2.gz BLFWWWMNJAKFHU-UHFFFAOYSA-N 1 2 282.351 1.690 20 30 CDEDLO Cc1[nH]c(CNC(=O)Cc2ccc(C#N)cc2)[nH+]c1C ZINC000896921795 620310571 /nfs/dbraw/zinc/31/05/71/620310571.db2.gz UFEJPSKSLBZWSJ-UHFFFAOYSA-N 1 2 268.320 1.757 20 30 CDEDLO N#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)[nH]1 ZINC000898495914 621767202 /nfs/dbraw/zinc/76/72/02/621767202.db2.gz OUGVBVGKUNMXGO-NSHDSACASA-N 1 2 264.304 1.050 20 30 CDEDLO N#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCF)C2)[nH]1 ZINC000898495914 621767204 /nfs/dbraw/zinc/76/72/04/621767204.db2.gz OUGVBVGKUNMXGO-NSHDSACASA-N 1 2 264.304 1.050 20 30 CDEDLO CCn1c[nH+]cc1/C=C1\S/C(=N/C2CC2)NC1=O ZINC000901539905 624326195 /nfs/dbraw/zinc/32/61/95/624326195.db2.gz RNUWRJFKUBTEBN-YHYXMXQVSA-N 1 2 262.338 1.625 20 30 CDEDLO N#Cc1sccc1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000906974701 627477624 /nfs/dbraw/zinc/47/76/24/627477624.db2.gz GXUFXTFCSMAUKR-LLVKDONJSA-N 1 2 291.376 1.166 20 30 CDEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC000908648387 628314048 /nfs/dbraw/zinc/31/40/48/628314048.db2.gz BESOYKYFGJUMDK-CYBMUJFWSA-N 1 2 275.352 1.800 20 30 CDEDLO Cc1cn2c(nc(C[NH+]3CCC(C#N)CC3)cc2=O)s1 ZINC000929417318 630636656 /nfs/dbraw/zinc/63/66/56/630636656.db2.gz ZQFDRMAGVBLVMF-UHFFFAOYSA-N 1 2 288.376 1.800 20 30 CDEDLO CC(C)(CNC(=O)N1CCC[C@H](C#N)C1)[NH+]1CCOCC1 ZINC000913876762 630856486 /nfs/dbraw/zinc/85/64/86/630856486.db2.gz KPLHISNVJGSGQC-CYBMUJFWSA-N 1 2 294.399 1.042 20 30 CDEDLO C#CCSCCNc1nc(N)c2ccccc2[nH+]1 ZINC000152304094 630985873 /nfs/dbraw/zinc/98/58/73/630985873.db2.gz BMFKBXCBZNSDFU-UHFFFAOYSA-N 1 2 258.350 1.990 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2scnc2C(F)F)C1 ZINC000923598822 632152096 /nfs/dbraw/zinc/15/20/96/632152096.db2.gz OHDROVQJSJFLDA-VIFPVBQESA-N 1 2 299.346 1.908 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2scnc2C(F)F)C1 ZINC000923598822 632152110 /nfs/dbraw/zinc/15/21/10/632152110.db2.gz OHDROVQJSJFLDA-VIFPVBQESA-N 1 2 299.346 1.908 20 30 CDEDLO Cn1c[nH+]cc1CCOC(=O)COc1ccccc1C#N ZINC000793240783 1162404893 /nfs/dbraw/zinc/40/48/93/1162404893.db2.gz FXUDHSYUARAMBG-UHFFFAOYSA-N 1 2 285.303 1.456 20 30 CDEDLO C#CCCCCCC(=O)N[C@H](Cn1cc[nH+]c1)C(=O)OC ZINC000807284020 1162744667 /nfs/dbraw/zinc/74/46/67/1162744667.db2.gz HEXRXTQNXMFYDK-CYBMUJFWSA-N 1 2 291.351 1.125 20 30 CDEDLO CO[C@@H](C)c1noc(CO[NH+]=C(N)Cc2ccccc2)n1 ZINC000177557871 1159428179 /nfs/dbraw/zinc/42/81/79/1159428179.db2.gz NNQVZQPXSLYGAT-JTQLQIEISA-N 1 2 290.323 1.809 20 30 CDEDLO CON=CC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000809624785 1163054163 /nfs/dbraw/zinc/05/41/63/1163054163.db2.gz SJHSGYQLZMRYIL-UHFFFAOYSA-N 1 2 277.324 1.090 20 30 CDEDLO C#Cc1ccc(C[NH2+]Cc2nnnn2CC2CC2)cc1 ZINC000809644720 1163060100 /nfs/dbraw/zinc/06/01/00/1163060100.db2.gz UORDTPOJUITEAS-UHFFFAOYSA-N 1 2 267.336 1.354 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C(C)(C)F ZINC001482575171 1160424801 /nfs/dbraw/zinc/42/48/01/1160424801.db2.gz DNORTDCSHRHQIT-UHFFFAOYSA-N 1 2 250.745 1.877 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C(C)(C)F ZINC001482575171 1160424796 /nfs/dbraw/zinc/42/47/96/1160424796.db2.gz DNORTDCSHRHQIT-UHFFFAOYSA-N 1 2 250.745 1.877 20 30 CDEDLO N#Cc1cc(N[C@@H]2CCC[N@@H+](C3COC3)C2)nc(C2CC2)n1 ZINC001168370198 1160832395 /nfs/dbraw/zinc/83/23/95/1160832395.db2.gz XUVLITXWPMDOFJ-GFCCVEGCSA-N 1 2 299.378 1.501 20 30 CDEDLO N#Cc1cc(N[C@@H]2CCC[N@H+](C3COC3)C2)nc(C2CC2)n1 ZINC001168370198 1160832406 /nfs/dbraw/zinc/83/24/06/1160832406.db2.gz XUVLITXWPMDOFJ-GFCCVEGCSA-N 1 2 299.378 1.501 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2cc(C)ccn21 ZINC001085613049 1161948085 /nfs/dbraw/zinc/94/80/85/1161948085.db2.gz HJKLJIKZGVBDNT-CQSZACIVSA-N 1 2 296.374 1.422 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2cc(C)ccn21 ZINC001085613049 1161948089 /nfs/dbraw/zinc/94/80/89/1161948089.db2.gz HJKLJIKZGVBDNT-CQSZACIVSA-N 1 2 296.374 1.422 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)OCc2ccncc2)CC1 ZINC001113359451 1162161299 /nfs/dbraw/zinc/16/12/99/1162161299.db2.gz ASGORHBHUHXWMR-CQSZACIVSA-N 1 2 289.379 1.317 20 30 CDEDLO Cc1nc(N(C)[C@H](C)CNC(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001113555534 1162217035 /nfs/dbraw/zinc/21/70/35/1162217035.db2.gz OZVPTLIUMMAUSU-SNVBAGLBSA-N 1 2 298.350 1.240 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(Cl)no2)CC1 ZINC001113569578 1162223642 /nfs/dbraw/zinc/22/36/42/1162223642.db2.gz IJDJGYRACNBXPQ-UHFFFAOYSA-N 1 2 299.758 1.288 20 30 CDEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nncs1 ZINC001132574083 1163381292 /nfs/dbraw/zinc/38/12/92/1163381292.db2.gz UZCJEGLDNGHPIP-NXEZZACHSA-N 1 2 268.386 1.202 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(C)nn(C)c2c1 ZINC000812618797 1163666364 /nfs/dbraw/zinc/66/63/64/1163666364.db2.gz QCQGARICSYLRMV-HNNXBMFYSA-N 1 2 296.374 1.918 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(C)nn(C)c2c1 ZINC000812618797 1163666368 /nfs/dbraw/zinc/66/63/68/1163666368.db2.gz QCQGARICSYLRMV-HNNXBMFYSA-N 1 2 296.374 1.918 20 30 CDEDLO N#Cc1csc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001606388767 1163885999 /nfs/dbraw/zinc/88/59/99/1163885999.db2.gz FFNKCGBDIRROIY-UHFFFAOYSA-N 1 2 297.347 1.485 20 30 CDEDLO Cc1nc(-c2nn[nH]n2)c(N[NH2+]C=C2CC2(F)F)o1 ZINC001609446187 1164950462 /nfs/dbraw/zinc/95/04/62/1164950462.db2.gz PULQQADGISLJAP-YFKPBYRVSA-N 1 2 269.215 1.216 20 30 CDEDLO C=CCCC(=O)NCCC[NH2+]Cc1noc(C(C)C)n1 ZINC001155579441 1167240473 /nfs/dbraw/zinc/24/04/73/1167240473.db2.gz AECLRVOPUFSRLJ-UHFFFAOYSA-N 1 2 280.372 1.755 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ncoc1C ZINC001690928270 1175614324 /nfs/dbraw/zinc/61/43/24/1175614324.db2.gz LSORKXPNQYZANH-UHFFFAOYSA-N 1 2 257.721 1.397 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ncoc1C ZINC001690928270 1175614328 /nfs/dbraw/zinc/61/43/28/1175614328.db2.gz LSORKXPNQYZANH-UHFFFAOYSA-N 1 2 257.721 1.397 20 30 CDEDLO CC(C)C#CC(=O)N[C@H]1CCC[N@H+](Cc2ccns2)C1 ZINC001713789497 1178754936 /nfs/dbraw/zinc/75/49/36/1178754936.db2.gz ZDDBFAKIIOZMQW-ZDUSSCGKSA-N 1 2 291.420 1.883 20 30 CDEDLO CC(C)C#CC(=O)N[C@H]1CCC[N@@H+](Cc2ccns2)C1 ZINC001713789497 1178754940 /nfs/dbraw/zinc/75/49/40/1178754940.db2.gz ZDDBFAKIIOZMQW-ZDUSSCGKSA-N 1 2 291.420 1.883 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccccn1 ZINC001716009436 1179982307 /nfs/dbraw/zinc/98/23/07/1179982307.db2.gz HHJLSIXAKVVPBO-LLVKDONJSA-N 1 2 267.760 1.884 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccccn1 ZINC001716009436 1179982311 /nfs/dbraw/zinc/98/23/11/1179982311.db2.gz HHJLSIXAKVVPBO-LLVKDONJSA-N 1 2 267.760 1.884 20 30 CDEDLO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](C#N)C2)C1 ZINC000261239722 1181488534 /nfs/dbraw/zinc/48/85/34/1181488534.db2.gz VFQBXDZBPZSNHV-NWDGAFQWSA-N 1 2 265.357 1.841 20 30 CDEDLO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CC[C@@H](C#N)C2)C1 ZINC000261239722 1181488537 /nfs/dbraw/zinc/48/85/37/1181488537.db2.gz VFQBXDZBPZSNHV-NWDGAFQWSA-N 1 2 265.357 1.841 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)COC)C1 ZINC001732153862 1182812934 /nfs/dbraw/zinc/81/29/34/1182812934.db2.gz HGVSIBFXFHVXFN-MWLCHTKSSA-N 1 2 260.765 1.212 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)COC)C1 ZINC001732153862 1182812925 /nfs/dbraw/zinc/81/29/25/1182812925.db2.gz HGVSIBFXFHVXFN-MWLCHTKSSA-N 1 2 260.765 1.212 20 30 CDEDLO C#CCO[C@H](C)C(=O)NCCC[N@H+](C)Cc1nccs1 ZINC001751974720 1184802375 /nfs/dbraw/zinc/80/23/75/1184802375.db2.gz JJRSMCISGWQVKK-GFCCVEGCSA-N 1 2 295.408 1.120 20 30 CDEDLO C#CCO[C@H](C)C(=O)NCCC[N@@H+](C)Cc1nccs1 ZINC001751974720 1184802377 /nfs/dbraw/zinc/80/23/77/1184802377.db2.gz JJRSMCISGWQVKK-GFCCVEGCSA-N 1 2 295.408 1.120 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)C1CCCC1 ZINC001753070052 1185035744 /nfs/dbraw/zinc/03/57/44/1185035744.db2.gz UIIVSMBGSAKMEJ-ZDUSSCGKSA-N 1 2 295.427 1.163 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)C1CCCC1 ZINC001753070052 1185035751 /nfs/dbraw/zinc/03/57/51/1185035751.db2.gz UIIVSMBGSAKMEJ-ZDUSSCGKSA-N 1 2 295.427 1.163 20 30 CDEDLO C#CCC[N@H+](CCC)CCNC(=O)c1cncc2nc[nH]c21 ZINC001753142857 1185083029 /nfs/dbraw/zinc/08/30/29/1185083029.db2.gz CSXCBSHTPMXFCJ-UHFFFAOYSA-N 1 2 299.378 1.423 20 30 CDEDLO C#CCC[N@@H+](CCC)CCNC(=O)c1cncc2nc[nH]c21 ZINC001753142857 1185083032 /nfs/dbraw/zinc/08/30/32/1185083032.db2.gz CSXCBSHTPMXFCJ-UHFFFAOYSA-N 1 2 299.378 1.423 20 30 CDEDLO C=C(Cl)C[NH2+]CCN(C)C(=O)c1cccc2n[nH]cc21 ZINC001753218394 1185119889 /nfs/dbraw/zinc/11/98/89/1185119889.db2.gz JQKJMVJEHBXBMK-UHFFFAOYSA-N 1 2 292.770 1.977 20 30 CDEDLO C=CCOCC[NH+]1CC(NC(=O)Cc2ccc(C)o2)C1 ZINC001753374554 1185175081 /nfs/dbraw/zinc/17/50/81/1185175081.db2.gz ILBJSVQJVCQNCH-UHFFFAOYSA-N 1 2 278.352 1.134 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2occc2C)C1 ZINC001753653664 1185289585 /nfs/dbraw/zinc/28/95/85/1185289585.db2.gz FVZIRVCFKGGYRQ-AWEZNQCLSA-N 1 2 292.379 1.524 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)Cc2occc2C)C1 ZINC001753653664 1185289589 /nfs/dbraw/zinc/28/95/89/1185289589.db2.gz FVZIRVCFKGGYRQ-AWEZNQCLSA-N 1 2 292.379 1.524 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCC(C)(F)F)C1 ZINC001753654901 1185290333 /nfs/dbraw/zinc/29/03/33/1185290333.db2.gz GAZHJMACIFPCGV-LBPRGKRZSA-N 1 2 290.354 1.815 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)CCC(C)(F)F)C1 ZINC001753654901 1185290339 /nfs/dbraw/zinc/29/03/39/1185290339.db2.gz GAZHJMACIFPCGV-LBPRGKRZSA-N 1 2 290.354 1.815 20 30 CDEDLO C=CCCC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)c1nc(C)no1 ZINC001753681705 1185298699 /nfs/dbraw/zinc/29/86/99/1185298699.db2.gz BVODFGPEWPSZKG-WDEREUQCSA-N 1 2 280.372 1.842 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)[C@H]1CCCCO1 ZINC001754482487 1185637242 /nfs/dbraw/zinc/63/72/42/1185637242.db2.gz OUFFVDRBXYQDSE-HUUCEWRRSA-N 1 2 292.423 1.796 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)[C@H]1CCCCO1 ZINC001754482487 1185637245 /nfs/dbraw/zinc/63/72/45/1185637245.db2.gz OUFFVDRBXYQDSE-HUUCEWRRSA-N 1 2 292.423 1.796 20 30 CDEDLO C#CC[NH2+]CC[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001754915098 1185763136 /nfs/dbraw/zinc/76/31/36/1185763136.db2.gz CKLNKEOIOIYVRK-NXEZZACHSA-N 1 2 280.265 1.348 20 30 CDEDLO C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001754915098 1185763141 /nfs/dbraw/zinc/76/31/41/1185763141.db2.gz CKLNKEOIOIYVRK-NXEZZACHSA-N 1 2 280.265 1.348 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)C[C@@H]3CCCO3)cc2C1 ZINC001755100726 1185815045 /nfs/dbraw/zinc/81/50/45/1185815045.db2.gz DYACBXSWRFHVEH-KRWDZBQOSA-N 1 2 298.386 1.821 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)C[C@@H]3CCCO3)cc2C1 ZINC001755100726 1185815054 /nfs/dbraw/zinc/81/50/54/1185815054.db2.gz DYACBXSWRFHVEH-KRWDZBQOSA-N 1 2 298.386 1.821 20 30 CDEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccn(C)n1 ZINC001755317671 1185913783 /nfs/dbraw/zinc/91/37/83/1185913783.db2.gz CUYKEQBTJQBUJR-CYBMUJFWSA-N 1 2 292.427 1.959 20 30 CDEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccn(C)n1 ZINC001755317671 1185913786 /nfs/dbraw/zinc/91/37/86/1185913786.db2.gz CUYKEQBTJQBUJR-CYBMUJFWSA-N 1 2 292.427 1.959 20 30 CDEDLO CC(C)C#CC(=O)NC[C@@H](CO)[NH2+]C/C(Cl)=C\Cl ZINC001755627055 1186016281 /nfs/dbraw/zinc/01/62/81/1186016281.db2.gz CGMHOMWIRBFDPK-UAWPZABVSA-N 1 2 293.194 1.032 20 30 CDEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)C3CC3)C2)c1 ZINC001031509060 739241651 /nfs/dbraw/zinc/24/16/51/739241651.db2.gz QGFHONVZJPJGBJ-UHFFFAOYSA-N 1 2 287.338 1.655 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H]1CCC[C@H](C)C1 ZINC000884076868 739277656 /nfs/dbraw/zinc/27/76/56/739277656.db2.gz RHYGKHQKMAKEQR-AVGNSLFASA-N 1 2 282.384 1.470 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)C1CC1)CO2 ZINC001053900603 739308431 /nfs/dbraw/zinc/30/84/31/739308431.db2.gz QBRLUJJEGMGWIX-AWEZNQCLSA-N 1 2 290.407 1.405 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c(C3CC3)cnn2C)C1 ZINC001042888527 739329557 /nfs/dbraw/zinc/32/95/57/739329557.db2.gz QHJYYQQKAWJUJC-UHFFFAOYSA-N 1 2 288.395 1.630 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ncc[nH]2)C1 ZINC001046301947 739337858 /nfs/dbraw/zinc/33/78/58/739337858.db2.gz VZHVYRXUAFBCFP-LBPRGKRZSA-N 1 2 268.748 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ncc[nH]2)C1 ZINC001046301947 739337863 /nfs/dbraw/zinc/33/78/63/739337863.db2.gz VZHVYRXUAFBCFP-LBPRGKRZSA-N 1 2 268.748 1.356 20 30 CDEDLO Cc1cc(CN2CC[NH+](CCO[C@@H](C)C#N)CC2)on1 ZINC000801909994 739338879 /nfs/dbraw/zinc/33/88/79/739338879.db2.gz JYKMFUMGDYKCGD-ZDUSSCGKSA-N 1 2 278.356 1.029 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2sc(C)nc2C)C1 ZINC001030706420 739394968 /nfs/dbraw/zinc/39/49/68/739394968.db2.gz FQQOVTKFMXAMSC-UHFFFAOYSA-N 1 2 279.409 1.679 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cccnc1Cl ZINC000846988470 739646605 /nfs/dbraw/zinc/64/66/05/739646605.db2.gz SKGRPDYLZMKROP-SECBINFHSA-N 1 2 266.732 1.955 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cncs1 ZINC001039344285 739683152 /nfs/dbraw/zinc/68/31/52/739683152.db2.gz USMALXHBMQWACX-NEPJUHHUSA-N 1 2 275.377 1.455 20 30 CDEDLO C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cncs1 ZINC001039344285 739683165 /nfs/dbraw/zinc/68/31/65/739683165.db2.gz USMALXHBMQWACX-NEPJUHHUSA-N 1 2 275.377 1.455 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc([C@H]2CCOC2)c1 ZINC001038431089 739748805 /nfs/dbraw/zinc/74/88/05/739748805.db2.gz OVBIJXVFOUTIKZ-IRXDYDNUSA-N 1 2 298.386 1.628 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc([C@H]2CCOC2)c1 ZINC001038431089 739748817 /nfs/dbraw/zinc/74/88/17/739748817.db2.gz OVBIJXVFOUTIKZ-IRXDYDNUSA-N 1 2 298.386 1.628 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccsc1C ZINC001038244504 739752079 /nfs/dbraw/zinc/75/20/79/739752079.db2.gz ZKQBLHXQSGWLMY-GFCCVEGCSA-N 1 2 262.378 1.884 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccsc1C ZINC001038244504 739752081 /nfs/dbraw/zinc/75/20/81/739752081.db2.gz ZKQBLHXQSGWLMY-GFCCVEGCSA-N 1 2 262.378 1.884 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(F)ccc2C)C1 ZINC001030758640 739803720 /nfs/dbraw/zinc/80/37/20/739803720.db2.gz RYKINDRJQSRKAW-UHFFFAOYSA-N 1 2 260.312 1.571 20 30 CDEDLO C[N@@H+](Cc1cnc[nH]1)C[C@H](O)c1ccc(C#N)cc1 ZINC000844360119 739815064 /nfs/dbraw/zinc/81/50/64/739815064.db2.gz GCMFVSLOPSJXRE-AWEZNQCLSA-N 1 2 256.309 1.447 20 30 CDEDLO C[N@H+](Cc1cnc[nH]1)C[C@H](O)c1ccc(C#N)cc1 ZINC000844360119 739815065 /nfs/dbraw/zinc/81/50/65/739815065.db2.gz GCMFVSLOPSJXRE-AWEZNQCLSA-N 1 2 256.309 1.447 20 30 CDEDLO C#CC[N@@H+](CN1CCC1=O)[C@H]1CCc2ccccc21 ZINC000857231295 739821331 /nfs/dbraw/zinc/82/13/31/739821331.db2.gz CTMSTXJKUCKKOJ-HNNXBMFYSA-N 1 2 254.333 1.799 20 30 CDEDLO C#CC[N@H+](CN1CCC1=O)[C@H]1CCc2ccccc21 ZINC000857231295 739821332 /nfs/dbraw/zinc/82/13/32/739821332.db2.gz CTMSTXJKUCKKOJ-HNNXBMFYSA-N 1 2 254.333 1.799 20 30 CDEDLO C=CCN1CCN(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)C1=O ZINC000840073926 739825905 /nfs/dbraw/zinc/82/59/05/739825905.db2.gz MUMGWAXQCZRIFJ-ZIAGYGMSSA-N 1 2 293.411 1.757 20 30 CDEDLO C=CCN1CCN(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)C1=O ZINC000840073926 739825908 /nfs/dbraw/zinc/82/59/08/739825908.db2.gz MUMGWAXQCZRIFJ-ZIAGYGMSSA-N 1 2 293.411 1.757 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OC)C1CCCC1 ZINC001018219637 739845795 /nfs/dbraw/zinc/84/57/95/739845795.db2.gz PQIBNDSAXZODHS-XHSDSOJGSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OC)C1CCCC1 ZINC001018219637 739845798 /nfs/dbraw/zinc/84/57/98/739845798.db2.gz PQIBNDSAXZODHS-XHSDSOJGSA-N 1 2 290.407 1.500 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1C1CCC1 ZINC000884376574 739861864 /nfs/dbraw/zinc/86/18/64/739861864.db2.gz LKWXPUSVCDYYNM-KBPBESRZSA-N 1 2 294.395 1.614 20 30 CDEDLO CN(Cc1cc(C#N)cs1)C(=O)Cn1cc[nH+]c1 ZINC000887966891 739876554 /nfs/dbraw/zinc/87/65/54/739876554.db2.gz JIQOFDYLUUCSHI-UHFFFAOYSA-N 1 2 260.322 1.475 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000795411076 739892098 /nfs/dbraw/zinc/89/20/98/739892098.db2.gz AEKDONWRVNYJES-GFCCVEGCSA-N 1 2 258.321 1.019 20 30 CDEDLO C#CCNC(=O)C[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000795411076 739892101 /nfs/dbraw/zinc/89/21/01/739892101.db2.gz AEKDONWRVNYJES-GFCCVEGCSA-N 1 2 258.321 1.019 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C2CC2)on1 ZINC001032546958 739949851 /nfs/dbraw/zinc/94/98/51/739949851.db2.gz JZEMEYVOYLRXCI-RYUDHWBXSA-N 1 2 273.336 1.637 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C2CC2)on1 ZINC001032546958 739949855 /nfs/dbraw/zinc/94/98/55/739949855.db2.gz JZEMEYVOYLRXCI-RYUDHWBXSA-N 1 2 273.336 1.637 20 30 CDEDLO C[C@H]([NH2+][C@H]1CC(=O)N(CC2CC2)C1)c1cccc(C#N)c1O ZINC000883396930 739963609 /nfs/dbraw/zinc/96/36/09/739963609.db2.gz ZVXFDICMQYJWMR-FZMZJTMJSA-N 1 2 299.374 1.925 20 30 CDEDLO C[C@H](CC(=O)[C@@H](C#N)C(=O)Nc1ccccn1)n1cc[nH+]c1 ZINC000845444786 740079320 /nfs/dbraw/zinc/07/93/20/740079320.db2.gz AKHZDIBFKIBUHW-VXGBXAGGSA-N 1 2 297.318 1.577 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc(C)c[nH]1 ZINC001018046189 740097742 /nfs/dbraw/zinc/09/77/42/740097742.db2.gz UQOCNWHLWAXZCA-BETUJISGSA-N 1 2 272.352 1.030 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc(C)c[nH]1 ZINC001018046189 740097749 /nfs/dbraw/zinc/09/77/49/740097749.db2.gz UQOCNWHLWAXZCA-BETUJISGSA-N 1 2 272.352 1.030 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1F ZINC001038792124 740100674 /nfs/dbraw/zinc/10/06/74/740100674.db2.gz MMYODWFBKWZSAV-AEGPPILISA-N 1 2 286.350 1.753 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1F ZINC001038792124 740100679 /nfs/dbraw/zinc/10/06/79/740100679.db2.gz MMYODWFBKWZSAV-AEGPPILISA-N 1 2 286.350 1.753 20 30 CDEDLO Cc1cc(C[NH+]2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)on1 ZINC001031603062 740108312 /nfs/dbraw/zinc/10/83/12/740108312.db2.gz FUDKSKUIKXDWHM-UHFFFAOYSA-N 1 2 299.334 1.045 20 30 CDEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C3CCC3)c2C1 ZINC001069849763 740109373 /nfs/dbraw/zinc/10/93/73/740109373.db2.gz KRBCOHDAXQWMRO-UHFFFAOYSA-N 1 2 288.395 1.691 20 30 CDEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C3CCC3)c2C1 ZINC001069849763 740109377 /nfs/dbraw/zinc/10/93/77/740109377.db2.gz KRBCOHDAXQWMRO-UHFFFAOYSA-N 1 2 288.395 1.691 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccnn2CC)C1 ZINC001010749005 740117416 /nfs/dbraw/zinc/11/74/16/740117416.db2.gz QHWOMTXYUPSVRO-NSHDSACASA-N 1 2 282.775 1.460 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccnn2CC)C1 ZINC001010749005 740117431 /nfs/dbraw/zinc/11/74/31/740117431.db2.gz QHWOMTXYUPSVRO-NSHDSACASA-N 1 2 282.775 1.460 20 30 CDEDLO CON=Cc1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000779215316 740173718 /nfs/dbraw/zinc/17/37/18/740173718.db2.gz XHDRYSBAOFRWJM-AWEZNQCLSA-N 1 2 298.346 1.608 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC1(C)C)CO2 ZINC001053781207 740265002 /nfs/dbraw/zinc/26/50/02/740265002.db2.gz GAKNGMIMDLUKAW-STQMWFEESA-N 1 2 276.380 1.015 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2CCC(C)(C)CO2)C1 ZINC001043383960 740330070 /nfs/dbraw/zinc/33/00/70/740330070.db2.gz YDXYIZOZKCMDQR-AWEZNQCLSA-N 1 2 280.412 1.910 20 30 CDEDLO COC[C@H]1COCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000933336762 740311203 /nfs/dbraw/zinc/31/12/03/740311203.db2.gz QHACDLIOOBVLBE-AWEZNQCLSA-N 1 2 276.336 1.436 20 30 CDEDLO COC[C@H]1COCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000933336762 740311206 /nfs/dbraw/zinc/31/12/06/740311206.db2.gz QHACDLIOOBVLBE-AWEZNQCLSA-N 1 2 276.336 1.436 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn2ccnc2c1 ZINC001038510356 740354719 /nfs/dbraw/zinc/35/47/19/740354719.db2.gz MPZFXRHMKHCLDO-CQSZACIVSA-N 1 2 282.347 1.162 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn2ccnc2c1 ZINC001038510356 740354725 /nfs/dbraw/zinc/35/47/25/740354725.db2.gz MPZFXRHMKHCLDO-CQSZACIVSA-N 1 2 282.347 1.162 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](CN2C[C@H]3CCCCN3C2=O)C1 ZINC000872624075 740393088 /nfs/dbraw/zinc/39/30/88/740393088.db2.gz HJONQKHVAFIPMW-UONOGXRCSA-N 1 2 276.384 1.860 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](CN2C[C@H]3CCCCN3C2=O)C1 ZINC000872624075 740393095 /nfs/dbraw/zinc/39/30/95/740393095.db2.gz HJONQKHVAFIPMW-UONOGXRCSA-N 1 2 276.384 1.860 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)CCOC2 ZINC001038497957 740421419 /nfs/dbraw/zinc/42/14/19/740421419.db2.gz WMYWDKIPYUKLLS-QGZVFWFLSA-N 1 2 298.386 1.587 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)CCOC2 ZINC001038497957 740421426 /nfs/dbraw/zinc/42/14/26/740421426.db2.gz WMYWDKIPYUKLLS-QGZVFWFLSA-N 1 2 298.386 1.587 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CC)C[C@@H]21 ZINC001074119863 740485024 /nfs/dbraw/zinc/48/50/24/740485024.db2.gz 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ZINC001041303011 740568699 /nfs/dbraw/zinc/56/86/99/740568699.db2.gz BIRAHCUEZPUIMM-JQWIXIFHSA-N 1 2 294.292 1.997 20 30 CDEDLO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001041303011 740568720 /nfs/dbraw/zinc/56/87/20/740568720.db2.gz BIRAHCUEZPUIMM-JQWIXIFHSA-N 1 2 294.292 1.997 20 30 CDEDLO C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001041303011 740568732 /nfs/dbraw/zinc/56/87/32/740568732.db2.gz BIRAHCUEZPUIMM-JQWIXIFHSA-N 1 2 294.292 1.997 20 30 CDEDLO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001041303011 740568743 /nfs/dbraw/zinc/56/87/43/740568743.db2.gz BIRAHCUEZPUIMM-JQWIXIFHSA-N 1 2 294.292 1.997 20 30 CDEDLO CCOC1(C)CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000793547718 740575482 /nfs/dbraw/zinc/57/54/82/740575482.db2.gz WDNBZAGSIQDMDZ-UHFFFAOYSA-N 1 2 275.352 1.568 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2cnc(C3CC3)o2)C1 ZINC001030460224 740731928 /nfs/dbraw/zinc/73/19/28/740731928.db2.gz UTOPQAHENVHLAG-UHFFFAOYSA-N 1 2 261.325 1.542 20 30 CDEDLO Cc1nc(N[C@H]2CCN(C(=O)[C@@H](C)C#N)[C@H]2C)cc[nH+]1 ZINC001040075188 740735702 /nfs/dbraw/zinc/73/57/02/740735702.db2.gz ZLRGWBMCRNLAEP-NHCYSSNCSA-N 1 2 273.340 1.346 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C1CC(C)C1)O2 ZINC001053587771 740791522 /nfs/dbraw/zinc/79/15/22/740791522.db2.gz KVMOADBTVKMZIW-JXQTWKCFSA-N 1 2 278.396 1.568 20 30 CDEDLO CC1(C)C[S@@](=O)CC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886158434 740816318 /nfs/dbraw/zinc/81/63/18/740816318.db2.gz ZDRVFYBCMDNKIQ-BLVKFPJESA-N 1 2 284.425 1.274 20 30 CDEDLO CC1(C)C[S@@](=O)CC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886158434 740816320 /nfs/dbraw/zinc/81/63/20/740816320.db2.gz ZDRVFYBCMDNKIQ-BLVKFPJESA-N 1 2 284.425 1.274 20 30 CDEDLO C[C@@H](NC(=O)C#Cc1cccs1)[C@@H](C)[NH+]1CCOCC1 ZINC000825727080 740819578 /nfs/dbraw/zinc/81/95/78/740819578.db2.gz HVMMHMFFENCUOA-CHWSQXEVSA-N 1 2 292.404 1.325 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001010406995 740822514 /nfs/dbraw/zinc/82/25/14/740822514.db2.gz IHGZSDGXRYSJJN-NEPJUHHUSA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001010406995 740822516 /nfs/dbraw/zinc/82/25/16/740822516.db2.gz IHGZSDGXRYSJJN-NEPJUHHUSA-N 1 2 272.776 1.356 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2ccccc2O1 ZINC001038481676 740824399 /nfs/dbraw/zinc/82/43/99/740824399.db2.gz VSLRFWIPDQIYMU-HOCLYGCPSA-N 1 2 284.359 1.204 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2ccccc2O1 ZINC001038481676 740824401 /nfs/dbraw/zinc/82/44/01/740824401.db2.gz VSLRFWIPDQIYMU-HOCLYGCPSA-N 1 2 284.359 1.204 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCO2)C1 ZINC001046122779 740837622 /nfs/dbraw/zinc/83/76/22/740837622.db2.gz OPMVNRMGNRFBNK-YPMHNXCESA-N 1 2 272.776 1.499 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCO2)C1 ZINC001046122779 740837626 /nfs/dbraw/zinc/83/76/26/740837626.db2.gz OPMVNRMGNRFBNK-YPMHNXCESA-N 1 2 272.776 1.499 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2onc(C)c2c1 ZINC001032554486 740838377 /nfs/dbraw/zinc/83/83/77/740838377.db2.gz YEZVWLUTZYCAEB-STQMWFEESA-N 1 2 296.330 1.063 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2onc(C)c2c1 ZINC001032554486 740838381 /nfs/dbraw/zinc/83/83/81/740838381.db2.gz YEZVWLUTZYCAEB-STQMWFEESA-N 1 2 296.330 1.063 20 30 CDEDLO CCOc1ccccc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000819392452 740847624 /nfs/dbraw/zinc/84/76/24/740847624.db2.gz CAXUIXJRZUDSSM-ZDUSSCGKSA-N 1 2 277.368 1.704 20 30 CDEDLO CCOc1ccccc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000819392452 740847629 /nfs/dbraw/zinc/84/76/29/740847629.db2.gz CAXUIXJRZUDSSM-ZDUSSCGKSA-N 1 2 277.368 1.704 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1cccnc1 ZINC001018187921 740867207 /nfs/dbraw/zinc/86/72/07/740867207.db2.gz VHZJQFHGNICHNZ-CWRNSKLLSA-N 1 2 283.375 1.494 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1cccnc1 ZINC001018187921 740867211 /nfs/dbraw/zinc/86/72/11/740867211.db2.gz VHZJQFHGNICHNZ-CWRNSKLLSA-N 1 2 283.375 1.494 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2scnc2C)C1 ZINC000923582249 740890904 /nfs/dbraw/zinc/89/09/04/740890904.db2.gz HLXONOZIORMGLK-LLVKDONJSA-N 1 2 263.366 1.279 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2scnc2C)C1 ZINC000923582249 740890906 /nfs/dbraw/zinc/89/09/06/740890906.db2.gz HLXONOZIORMGLK-LLVKDONJSA-N 1 2 263.366 1.279 20 30 CDEDLO C#CCCCNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000192322460 740919284 /nfs/dbraw/zinc/91/92/84/740919284.db2.gz QXCOXMOJOWDVOT-CYBMUJFWSA-N 1 2 274.368 1.653 20 30 CDEDLO C#CCCCNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000192322460 740919290 /nfs/dbraw/zinc/91/92/90/740919290.db2.gz QXCOXMOJOWDVOT-CYBMUJFWSA-N 1 2 274.368 1.653 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccco1 ZINC001017349219 740922398 /nfs/dbraw/zinc/92/23/98/740922398.db2.gz LHFQSVQCJRZDCZ-OKILXGFUSA-N 1 2 272.348 1.521 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccco1 ZINC001017349219 740922402 /nfs/dbraw/zinc/92/24/02/740922402.db2.gz LHFQSVQCJRZDCZ-OKILXGFUSA-N 1 2 272.348 1.521 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccn(C)c2)C1 ZINC001031607373 740966970 /nfs/dbraw/zinc/96/69/70/740966970.db2.gz BWFSSOCIOUMOGJ-UHFFFAOYSA-N 1 2 267.760 1.439 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2cccnc21 ZINC001032593012 740987267 /nfs/dbraw/zinc/98/72/67/740987267.db2.gz YNQOACVGQUOQMP-KKUMJFAQSA-N 1 2 281.359 1.030 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2cccnc21 ZINC001032593012 740987272 /nfs/dbraw/zinc/98/72/72/740987272.db2.gz YNQOACVGQUOQMP-KKUMJFAQSA-N 1 2 281.359 1.030 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(C)C)on1 ZINC001032546202 741010379 /nfs/dbraw/zinc/01/03/79/741010379.db2.gz QZTBVROACCHMEJ-STQMWFEESA-N 1 2 287.363 1.720 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(C)C)on1 ZINC001032546202 741010385 /nfs/dbraw/zinc/01/03/85/741010385.db2.gz QZTBVROACCHMEJ-STQMWFEESA-N 1 2 287.363 1.720 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccn(C)c1CC ZINC001038698931 741024565 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/nfs/dbraw/zinc/23/26/90/742232690.db2.gz LMCLFYOSFZPHLQ-NSHDSACASA-N 1 2 279.340 1.302 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1csnn1 ZINC001028054367 742244969 /nfs/dbraw/zinc/24/49/69/742244969.db2.gz WOLOIANUEGYMNW-VIFPVBQESA-N 1 2 286.788 1.485 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1csnn1 ZINC001028054367 742244973 /nfs/dbraw/zinc/24/49/73/742244973.db2.gz WOLOIANUEGYMNW-VIFPVBQESA-N 1 2 286.788 1.485 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000822935109 742279942 /nfs/dbraw/zinc/27/99/42/742279942.db2.gz MUIPKENZHOUYCP-QGZVFWFLSA-N 1 2 285.391 1.628 20 30 CDEDLO C#CCNC(=O)COc1cc(C)[nH+]c2ccc(OC)cc21 ZINC000914686175 742287629 /nfs/dbraw/zinc/28/76/29/742287629.db2.gz ZWWCGGDYPKFNOQ-UHFFFAOYSA-N 1 2 284.315 1.680 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844454111 742330679 /nfs/dbraw/zinc/33/06/79/742330679.db2.gz RGWBQOQUOZXNQB-HNCHTBHHSA-N 1 2 285.338 1.626 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844454111 742330686 /nfs/dbraw/zinc/33/06/86/742330686.db2.gz RGWBQOQUOZXNQB-HNCHTBHHSA-N 1 2 285.338 1.626 20 30 CDEDLO C#Cc1cncc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000798301172 742353309 /nfs/dbraw/zinc/35/33/09/742353309.db2.gz QTEDKIAZRZKNGG-OAHLLOKOSA-N 1 2 292.342 1.467 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC1(F)F ZINC001017650253 742378915 /nfs/dbraw/zinc/37/89/15/742378915.db2.gz JQITVSJPTGFNRS-GRYCIOLGSA-N 1 2 268.307 1.340 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC1(F)F ZINC001017650253 742378921 /nfs/dbraw/zinc/37/89/21/742378921.db2.gz JQITVSJPTGFNRS-GRYCIOLGSA-N 1 2 268.307 1.340 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CCC ZINC000093771689 742421416 /nfs/dbraw/zinc/42/14/16/742421416.db2.gz MMMFBKMQNYVCMI-OAHLLOKOSA-N 1 2 286.375 1.799 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CCC ZINC000093771689 742421422 /nfs/dbraw/zinc/42/14/22/742421422.db2.gz MMMFBKMQNYVCMI-OAHLLOKOSA-N 1 2 286.375 1.799 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2F)C1 ZINC000923559589 739279290 /nfs/dbraw/zinc/27/92/90/739279290.db2.gz PHOHJFXDDLPVEZ-SNVBAGLBSA-N 1 2 266.341 1.715 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2F)C1 ZINC000923559589 739279299 /nfs/dbraw/zinc/27/92/99/739279299.db2.gz PHOHJFXDDLPVEZ-SNVBAGLBSA-N 1 2 266.341 1.715 20 30 CDEDLO C=CCC[N@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]nnc2c1 ZINC001039014463 739302611 /nfs/dbraw/zinc/30/26/11/739302611.db2.gz YYNXZLOXCPBAQH-LBPRGKRZSA-N 1 2 285.351 1.338 20 30 CDEDLO C=C(C)CC[NH+]1CC(N(C)C(=O)c2cccc3nn[nH]c32)C1 ZINC001042772960 739315901 /nfs/dbraw/zinc/31/59/01/739315901.db2.gz FSYXOIFPNMQNJP-UHFFFAOYSA-N 1 2 299.378 1.680 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)c(F)cc1F ZINC001038403215 739357498 /nfs/dbraw/zinc/35/74/98/739357498.db2.gz RTUSFSRXESENNO-NSHDSACASA-N 1 2 278.302 1.711 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)c(F)cc1F ZINC001038403215 739357504 /nfs/dbraw/zinc/35/75/04/739357504.db2.gz RTUSFSRXESENNO-NSHDSACASA-N 1 2 278.302 1.711 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CCCC2=O)CC1 ZINC000856018713 739500273 /nfs/dbraw/zinc/50/02/73/739500273.db2.gz RYEOSYNBUDEGJH-AWEZNQCLSA-N 1 2 288.391 1.446 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CCCC2=O)CC1 ZINC000856018713 739500283 /nfs/dbraw/zinc/50/02/83/739500283.db2.gz RYEOSYNBUDEGJH-AWEZNQCLSA-N 1 2 288.391 1.446 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2cc(C)cn2c1 ZINC001038333028 739521891 /nfs/dbraw/zinc/52/18/91/739521891.db2.gz NNCGYDJJUGDATL-MRXNPFEDSA-N 1 2 281.359 1.685 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2cc(C)cn2c1 ZINC001038333028 739521899 /nfs/dbraw/zinc/52/18/99/739521899.db2.gz NNCGYDJJUGDATL-MRXNPFEDSA-N 1 2 281.359 1.685 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(F)cc(OC)cc1F ZINC001038725205 739560262 /nfs/dbraw/zinc/56/02/62/739560262.db2.gz KPVGZUIFOGJTOE-JTQLQIEISA-N 1 2 294.301 1.411 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(F)cc(OC)cc1F ZINC001038725205 739560268 /nfs/dbraw/zinc/56/02/68/739560268.db2.gz KPVGZUIFOGJTOE-JTQLQIEISA-N 1 2 294.301 1.411 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2nccs2)C1 ZINC001035555910 739562201 /nfs/dbraw/zinc/56/22/01/739562201.db2.gz NDKMPFWOIYOBBP-NSHDSACASA-N 1 2 281.381 1.150 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2nccs2)C1 ZINC001035555910 739562210 /nfs/dbraw/zinc/56/22/10/739562210.db2.gz NDKMPFWOIYOBBP-NSHDSACASA-N 1 2 281.381 1.150 20 30 CDEDLO CC[C@H](C)NC(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000048706939 739571229 /nfs/dbraw/zinc/57/12/29/739571229.db2.gz GDEKFFSFSHMZPU-NSHDSACASA-N 1 2 263.341 1.433 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2sccc2[nH]1 ZINC001038884806 739576295 /nfs/dbraw/zinc/57/62/95/739576295.db2.gz LCKMKRRGEIKCMT-JTQLQIEISA-N 1 2 273.361 1.667 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2sccc2[nH]1 ZINC001038884806 739576298 /nfs/dbraw/zinc/57/62/98/739576298.db2.gz LCKMKRRGEIKCMT-JTQLQIEISA-N 1 2 273.361 1.667 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(=C)C)CCO2)nc1 ZINC001035582817 739589181 /nfs/dbraw/zinc/58/91/81/739589181.db2.gz JROIVWLXLQIGPD-OAHLLOKOSA-N 1 2 299.374 1.070 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(=C)C)CCO2)nc1 ZINC001035582817 739589187 /nfs/dbraw/zinc/58/91/87/739589187.db2.gz JROIVWLXLQIGPD-OAHLLOKOSA-N 1 2 299.374 1.070 20 30 CDEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](CC(=O)NCCC#N)C1 ZINC000781983984 739719675 /nfs/dbraw/zinc/71/96/75/739719675.db2.gz INCXHUCHWHXUKT-NSHDSACASA-N 1 2 293.289 1.060 20 30 CDEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](CC(=O)NCCC#N)C1 ZINC000781983984 739719680 /nfs/dbraw/zinc/71/96/80/739719680.db2.gz INCXHUCHWHXUKT-NSHDSACASA-N 1 2 293.289 1.060 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCC1 ZINC001017804221 739716183 /nfs/dbraw/zinc/71/61/83/739716183.db2.gz JFOYRQKCPZMEAF-OKILXGFUSA-N 1 2 260.381 1.875 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCC1 ZINC001017804221 739716196 /nfs/dbraw/zinc/71/61/96/739716196.db2.gz JFOYRQKCPZMEAF-OKILXGFUSA-N 1 2 260.381 1.875 20 30 CDEDLO C#CC[N@@H+](C)[C@H]1CCCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC001027575319 739742514 /nfs/dbraw/zinc/74/25/14/739742514.db2.gz WSAGSNMYFCEGJF-JTQLQIEISA-N 1 2 296.321 1.517 20 30 CDEDLO C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC001027575319 739742518 /nfs/dbraw/zinc/74/25/18/739742518.db2.gz WSAGSNMYFCEGJF-JTQLQIEISA-N 1 2 296.321 1.517 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000112997732 739747845 /nfs/dbraw/zinc/74/78/45/739747845.db2.gz ORPBJORZZSFFST-TXEJJXNPSA-N 1 2 252.358 1.949 20 30 CDEDLO C#CC[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000112997732 739747858 /nfs/dbraw/zinc/74/78/58/739747858.db2.gz ORPBJORZZSFFST-TXEJJXNPSA-N 1 2 252.358 1.949 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(C)on2)C1 ZINC001046113602 739769472 /nfs/dbraw/zinc/76/94/72/739769472.db2.gz LITNCUWGJRBLPJ-ZDUSSCGKSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(C)on2)C1 ZINC001046113602 739769473 /nfs/dbraw/zinc/76/94/73/739769473.db2.gz LITNCUWGJRBLPJ-ZDUSSCGKSA-N 1 2 283.759 1.930 20 30 CDEDLO CCOc1ccc(O)c(/C=N/CC[NH+]2CCOCC2)c1 ZINC000060802885 739854660 /nfs/dbraw/zinc/85/46/60/739854660.db2.gz IYBYFAZHLCQPDA-FOWTUZBSSA-N 1 2 278.352 1.542 20 30 CDEDLO CCOC1(C)CC[NH+](Cn2ccc(C)c(C#N)c2=O)CC1 ZINC000793542433 739866873 /nfs/dbraw/zinc/86/68/73/739866873.db2.gz BSXYEXCUJCAWOV-UHFFFAOYSA-N 1 2 289.379 1.877 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC2(C)C)C1 ZINC001010647058 739922493 /nfs/dbraw/zinc/92/24/93/739922493.db2.gz YMDPELZDBMAUTO-QWRGUYRKSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC2(C)C)C1 ZINC001010647058 739922494 /nfs/dbraw/zinc/92/24/94/739922494.db2.gz YMDPELZDBMAUTO-QWRGUYRKSA-N 1 2 256.777 1.976 20 30 CDEDLO C=CCN1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001007645148 739979460 /nfs/dbraw/zinc/97/94/60/739979460.db2.gz LRESCBGBGMTFGM-ZIAGYGMSSA-N 1 2 265.401 1.237 20 30 CDEDLO C=CCN1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001007645148 739979466 /nfs/dbraw/zinc/97/94/66/739979466.db2.gz LRESCBGBGMTFGM-ZIAGYGMSSA-N 1 2 265.401 1.237 20 30 CDEDLO CN(C)c1cc(COC(=O)c2ccc(C#N)o2)cc[nH+]1 ZINC000796127107 740043649 /nfs/dbraw/zinc/04/36/49/740043649.db2.gz DZGPVGMWELRXDD-UHFFFAOYSA-N 1 2 271.276 1.969 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1[nH]c2ccccc2c1OC ZINC001039057773 740044132 /nfs/dbraw/zinc/04/41/32/740044132.db2.gz XHVLQQADEKYMHX-GFCCVEGCSA-N 1 2 297.358 1.614 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1[nH]c2ccccc2c1OC ZINC001039057773 740044139 /nfs/dbraw/zinc/04/41/39/740044139.db2.gz XHVLQQADEKYMHX-GFCCVEGCSA-N 1 2 297.358 1.614 20 30 CDEDLO Cc1ncoc1C[N@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC000980849246 740049841 /nfs/dbraw/zinc/04/98/41/740049841.db2.gz HPSAFQFZIAHFDJ-LLVKDONJSA-N 1 2 276.340 1.177 20 30 CDEDLO Cc1ncoc1C[N@@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC000980849246 740049849 /nfs/dbraw/zinc/04/98/49/740049849.db2.gz HPSAFQFZIAHFDJ-LLVKDONJSA-N 1 2 276.340 1.177 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2CC(C)C2)C1 ZINC001035332235 740063208 /nfs/dbraw/zinc/06/32/08/740063208.db2.gz WCWZNUQIILNYCI-RUXDESIVSA-N 1 2 266.385 1.426 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C2CC(C)C2)C1 ZINC001035332235 740063213 /nfs/dbraw/zinc/06/32/13/740063213.db2.gz WCWZNUQIILNYCI-RUXDESIVSA-N 1 2 266.385 1.426 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)C1CCC1)CO2 ZINC001053844319 740178303 /nfs/dbraw/zinc/17/83/03/740178303.db2.gz GNMHSPIRAQIFKX-HIFRSBDPSA-N 1 2 292.423 1.958 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2cn[nH]c21 ZINC001032554107 740358975 /nfs/dbraw/zinc/35/89/75/740358975.db2.gz RGVRJXNMVUKIBE-STQMWFEESA-N 1 2 280.331 1.095 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2cn[nH]c21 ZINC001032554107 740358981 /nfs/dbraw/zinc/35/89/81/740358981.db2.gz RGVRJXNMVUKIBE-STQMWFEESA-N 1 2 280.331 1.095 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c[nH]nc21 ZINC001032554107 740358985 /nfs/dbraw/zinc/35/89/85/740358985.db2.gz RGVRJXNMVUKIBE-STQMWFEESA-N 1 2 280.331 1.095 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c[nH]nc21 ZINC001032554107 740358991 /nfs/dbraw/zinc/35/89/91/740358991.db2.gz RGVRJXNMVUKIBE-STQMWFEESA-N 1 2 280.331 1.095 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncnc1C(C)C ZINC001032786898 740372774 /nfs/dbraw/zinc/37/27/74/740372774.db2.gz XRTLQAGLNMZZOV-KBPBESRZSA-N 1 2 298.390 1.522 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncnc1C(C)C ZINC001032786898 740372778 /nfs/dbraw/zinc/37/27/78/740372778.db2.gz XRTLQAGLNMZZOV-KBPBESRZSA-N 1 2 298.390 1.522 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cncs2)[C@H]1C ZINC000993101441 740417298 /nfs/dbraw/zinc/41/72/98/740417298.db2.gz BDWBJPLPCAPFNV-MNOVXSKESA-N 1 2 263.366 1.359 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cncs2)[C@H]1C ZINC000993101441 740417299 /nfs/dbraw/zinc/41/72/99/740417299.db2.gz BDWBJPLPCAPFNV-MNOVXSKESA-N 1 2 263.366 1.359 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC2CCOCC2)C1 ZINC001010400120 740452392 /nfs/dbraw/zinc/45/23/92/740452392.db2.gz MPPMMAFNYCUQFT-CYBMUJFWSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC2CCOCC2)C1 ZINC001010400120 740452396 /nfs/dbraw/zinc/45/23/96/740452396.db2.gz MPPMMAFNYCUQFT-CYBMUJFWSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2ccon2)CC[C@@H]1C ZINC001071381142 740468317 /nfs/dbraw/zinc/46/83/17/740468317.db2.gz JRCHIPUMTUAOPY-AAEUAGOBSA-N 1 2 297.786 1.939 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2ccon2)CC[C@@H]1C ZINC001071381142 740468320 /nfs/dbraw/zinc/46/83/20/740468320.db2.gz JRCHIPUMTUAOPY-AAEUAGOBSA-N 1 2 297.786 1.939 20 30 CDEDLO CCn1ncn(N=C2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1=O ZINC000814235708 740470774 /nfs/dbraw/zinc/47/07/74/740470774.db2.gz WZMISKPFYZUYKJ-CYBMUJFWSA-N 1 2 299.378 1.563 20 30 CDEDLO CCn1ncn(N=C2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1=O ZINC000814235708 740470778 /nfs/dbraw/zinc/47/07/78/740470778.db2.gz WZMISKPFYZUYKJ-CYBMUJFWSA-N 1 2 299.378 1.563 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1nc[nH]n1 ZINC001049797304 740551503 /nfs/dbraw/zinc/55/15/03/740551503.db2.gz HHHYKLWSDGBLHC-QWRGUYRKSA-N 1 2 295.774 1.236 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1nc[nH]n1 ZINC001049797304 740551515 /nfs/dbraw/zinc/55/15/15/740551515.db2.gz HHHYKLWSDGBLHC-QWRGUYRKSA-N 1 2 295.774 1.236 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1onc(C)c1C ZINC001038385405 740608652 /nfs/dbraw/zinc/60/86/52/740608652.db2.gz IKPYULJCJOPZSL-LBPRGKRZSA-N 1 2 261.325 1.119 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1onc(C)c1C ZINC001038385405 740608663 /nfs/dbraw/zinc/60/86/63/740608663.db2.gz IKPYULJCJOPZSL-LBPRGKRZSA-N 1 2 261.325 1.119 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934420078 740611801 /nfs/dbraw/zinc/61/18/01/740611801.db2.gz YMDJCYLJFHAZQH-ZDUSSCGKSA-N 1 2 296.374 1.646 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934420078 740611821 /nfs/dbraw/zinc/61/18/21/740611821.db2.gz YMDJCYLJFHAZQH-ZDUSSCGKSA-N 1 2 296.374 1.646 20 30 CDEDLO C#C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC000890652740 740710921 /nfs/dbraw/zinc/71/09/21/740710921.db2.gz WTULKCVDEPXHPA-LBPRGKRZSA-N 1 2 253.305 1.962 20 30 CDEDLO C[C@H]([NH2+][C@@H](CO)C[C@H]1CCCO1)c1cccc(C#N)c1O ZINC000886671992 740862844 /nfs/dbraw/zinc/86/28/44/740862844.db2.gz HLCYWJQQWQOECZ-IACUBPJLSA-N 1 2 290.363 1.844 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](CF)C2)cc1 ZINC000711435284 740899437 /nfs/dbraw/zinc/89/94/37/740899437.db2.gz MPEOWDLFTIOJSJ-CYBMUJFWSA-N 1 2 296.367 1.623 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](CF)C2)cc1 ZINC000711435284 740899440 /nfs/dbraw/zinc/89/94/40/740899440.db2.gz MPEOWDLFTIOJSJ-CYBMUJFWSA-N 1 2 296.367 1.623 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cncc2ccccc21 ZINC001039041950 740921111 /nfs/dbraw/zinc/92/11/11/740921111.db2.gz KDDRNRQGMCTFEJ-AWEZNQCLSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cncc2ccccc21 ZINC001039041950 740921112 /nfs/dbraw/zinc/92/11/12/740921112.db2.gz KDDRNRQGMCTFEJ-AWEZNQCLSA-N 1 2 279.343 1.672 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2coc(OC)n2)C1 ZINC001046514199 740967891 /nfs/dbraw/zinc/96/78/91/740967891.db2.gz FXLLUIZGGJDAMH-CYBMUJFWSA-N 1 2 299.758 1.630 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2coc(OC)n2)C1 ZINC001046514199 740967893 /nfs/dbraw/zinc/96/78/93/740967893.db2.gz FXLLUIZGGJDAMH-CYBMUJFWSA-N 1 2 299.758 1.630 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@@H](OC)C2)C1 ZINC001043150737 740991698 /nfs/dbraw/zinc/99/16/98/740991698.db2.gz PYIODCQPKVEICL-DGCLKSJQSA-N 1 2 252.358 1.130 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C=C)cc2)C1 ZINC001030995363 741072151 /nfs/dbraw/zinc/07/21/51/741072151.db2.gz FSPRHJHLTFZZTD-UHFFFAOYSA-N 1 2 254.333 1.767 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(=C)C)CCO2)cc1 ZINC001035472112 741072459 /nfs/dbraw/zinc/07/24/59/741072459.db2.gz 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C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)[C@@H]2C1 ZINC001076264661 741246244 /nfs/dbraw/zinc/24/62/44/741246244.db2.gz MSTZWDWHOZPGBY-SWLSCSKDSA-N 1 2 288.395 1.865 20 30 CDEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865919693 741254864 /nfs/dbraw/zinc/25/48/64/741254864.db2.gz HYAYLNDHHUEYKX-CEXNOZIFSA-N 1 2 291.395 1.463 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1CC(C)C ZINC000884079252 741266354 /nfs/dbraw/zinc/26/63/54/741266354.db2.gz LERAIDANZIHVJI-STQMWFEESA-N 1 2 282.384 1.470 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(COC)o1 ZINC001038483604 741272934 /nfs/dbraw/zinc/27/29/34/741272934.db2.gz FTDFJJKAMSEQRO-LBPRGKRZSA-N 1 2 276.336 1.253 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(COC)o1 ZINC001038483604 741272944 /nfs/dbraw/zinc/27/29/44/741272944.db2.gz FTDFJJKAMSEQRO-LBPRGKRZSA-N 1 2 276.336 1.253 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccn2C)C1 ZINC001006775037 741293299 /nfs/dbraw/zinc/29/32/99/741293299.db2.gz 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ZINC000925588830 741590130 /nfs/dbraw/zinc/59/01/30/741590130.db2.gz ZXVDSJCRPZFOBL-NSHDSACASA-N 1 2 275.780 1.149 20 30 CDEDLO C=CC[N@@H+](CCc1ccco1)CN1CC(=O)N(CC)C1=O ZINC000778589197 741654626 /nfs/dbraw/zinc/65/46/26/741654626.db2.gz PGVXTTFYMXIKRN-UHFFFAOYSA-N 1 2 291.351 1.552 20 30 CDEDLO C=CC[N@H+](CCc1ccco1)CN1CC(=O)N(CC)C1=O ZINC000778589197 741654636 /nfs/dbraw/zinc/65/46/36/741654636.db2.gz PGVXTTFYMXIKRN-UHFFFAOYSA-N 1 2 291.351 1.552 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cn1c2cc(F)ccc2oc1=O ZINC000853621352 741683727 /nfs/dbraw/zinc/68/37/27/741683727.db2.gz ZMILFCRFWZGNDU-UHFFFAOYSA-N 1 2 292.310 1.663 20 30 CDEDLO C#CCC[N@H+](CCOC)Cn1c2cc(F)ccc2oc1=O ZINC000853621352 741683745 /nfs/dbraw/zinc/68/37/45/741683745.db2.gz ZMILFCRFWZGNDU-UHFFFAOYSA-N 1 2 292.310 1.663 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCO[C@@H]2C(C)C)C1 ZINC001030418104 741876964 /nfs/dbraw/zinc/87/69/64/741876964.db2.gz FHAWWCCHEBYFMU-ZIAGYGMSSA-N 1 2 266.385 1.424 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C(F)F)n(C)n2)C1 ZINC001043346834 741877451 /nfs/dbraw/zinc/87/74/51/741877451.db2.gz GHNRFFIMDXVEBJ-UHFFFAOYSA-N 1 2 298.337 1.690 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2nccc(C)n2)C1 ZINC001033042933 741890673 /nfs/dbraw/zinc/89/06/73/741890673.db2.gz AFORTZOAUYBKAG-LBPRGKRZSA-N 1 2 294.786 1.684 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2nccc(C)n2)C1 ZINC001033042933 741890674 /nfs/dbraw/zinc/89/06/74/741890674.db2.gz AFORTZOAUYBKAG-LBPRGKRZSA-N 1 2 294.786 1.684 20 30 CDEDLO Cc1nc(N[C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cc[nH+]1 ZINC001059176979 741891686 /nfs/dbraw/zinc/89/16/86/741891686.db2.gz GIWGWZNYZOSHGY-HAQNSBGRSA-N 1 2 296.334 1.358 20 30 CDEDLO NC(Cc1cccnc1)=[NH+]OCCO[C@H]1CCCCO1 ZINC000194719169 741931128 /nfs/dbraw/zinc/93/11/28/741931128.db2.gz QUQPDVROWXEOKB-AWEZNQCLSA-N 1 2 279.340 1.456 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2[nH]ccc2c1 ZINC001032595732 741955774 /nfs/dbraw/zinc/95/57/74/741955774.db2.gz YAFLIAHGUGLGTD-GJZGRUSLSA-N 1 2 279.343 1.700 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2[nH]ccc2c1 ZINC001032595732 741955786 /nfs/dbraw/zinc/95/57/86/741955786.db2.gz YAFLIAHGUGLGTD-GJZGRUSLSA-N 1 2 279.343 1.700 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001038248286 741995621 /nfs/dbraw/zinc/99/56/21/741995621.db2.gz VAYZWMMIUDIWQB-KGLIPLIRSA-N 1 2 260.381 1.781 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001038248286 741995641 /nfs/dbraw/zinc/99/56/41/741995641.db2.gz VAYZWMMIUDIWQB-KGLIPLIRSA-N 1 2 260.381 1.781 20 30 CDEDLO N#CCc1ccccc1CC(=O)NCCCn1cc[nH+]c1 ZINC000777270776 742029032 /nfs/dbraw/zinc/02/90/32/742029032.db2.gz QRAMOUYFTUIZJY-UHFFFAOYSA-N 1 2 282.347 1.698 20 30 CDEDLO C#CC[C@H](CO)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000816670030 742040392 /nfs/dbraw/zinc/04/03/92/742040392.db2.gz KBUZZPNGVBHNJY-OAHLLOKOSA-N 1 2 283.331 1.045 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001038739225 742089222 /nfs/dbraw/zinc/08/92/22/742089222.db2.gz KJSJSVWVZUVOOZ-LBPRGKRZSA-N 1 2 272.352 1.115 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001038739225 742089228 /nfs/dbraw/zinc/08/92/28/742089228.db2.gz KJSJSVWVZUVOOZ-LBPRGKRZSA-N 1 2 272.352 1.115 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2nc(C)oc2c1 ZINC001032459821 742096444 /nfs/dbraw/zinc/09/64/44/742096444.db2.gz OWVXRSCNBHBIQV-KBPBESRZSA-N 1 2 295.342 1.668 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2nc(C)oc2c1 ZINC001032459821 742096450 /nfs/dbraw/zinc/09/64/50/742096450.db2.gz OWVXRSCNBHBIQV-KBPBESRZSA-N 1 2 295.342 1.668 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cnon1 ZINC001049801714 742097763 /nfs/dbraw/zinc/09/77/63/742097763.db2.gz JEHHAXBKVITMCH-NEPJUHHUSA-N 1 2 296.758 1.501 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cnon1 ZINC001049801714 742097775 /nfs/dbraw/zinc/09/77/75/742097775.db2.gz JEHHAXBKVITMCH-NEPJUHHUSA-N 1 2 296.758 1.501 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ncccc2F)C1 ZINC001035556719 742101811 /nfs/dbraw/zinc/10/18/11/742101811.db2.gz FHPIFFFBHRQVRT-GFCCVEGCSA-N 1 2 293.342 1.227 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ncccc2F)C1 ZINC001035556719 742101819 /nfs/dbraw/zinc/10/18/19/742101819.db2.gz FHPIFFFBHRQVRT-GFCCVEGCSA-N 1 2 293.342 1.227 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)n1cccc1 ZINC001032358681 742101883 /nfs/dbraw/zinc/10/18/83/742101883.db2.gz FNDNSTJLTHMMAZ-ILXRZTDVSA-N 1 2 271.364 1.358 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)n1cccc1 ZINC001032358681 742101887 /nfs/dbraw/zinc/10/18/87/742101887.db2.gz FNDNSTJLTHMMAZ-ILXRZTDVSA-N 1 2 271.364 1.358 20 30 CDEDLO C=C1CCC(C(=O)NC[C@H]2C[N@H+](CCOC)CCO2)CC1 ZINC001035493828 742149557 /nfs/dbraw/zinc/14/95/57/742149557.db2.gz OLUNSXZFLABEQW-HNNXBMFYSA-N 1 2 296.411 1.196 20 30 CDEDLO C=C1CCC(C(=O)NC[C@H]2C[N@@H+](CCOC)CCO2)CC1 ZINC001035493828 742149568 /nfs/dbraw/zinc/14/95/68/742149568.db2.gz OLUNSXZFLABEQW-HNNXBMFYSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CCCC(=O)COC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000785732659 742165155 /nfs/dbraw/zinc/16/51/55/742165155.db2.gz OIFGKAWTLNVTSH-TXEJJXNPSA-N 1 2 253.342 1.938 20 30 CDEDLO C=CCCC(=O)COC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000785732659 742165163 /nfs/dbraw/zinc/16/51/63/742165163.db2.gz OIFGKAWTLNVTSH-TXEJJXNPSA-N 1 2 253.342 1.938 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001043317095 742179337 /nfs/dbraw/zinc/17/93/37/742179337.db2.gz GMXNBDRMVIGCKX-ZDUSSCGKSA-N 1 2 266.385 1.520 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001038797900 742205155 /nfs/dbraw/zinc/20/51/55/742205155.db2.gz ZWVDIRRCMJWSBY-BHYGNILZSA-N 1 2 282.387 1.922 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001038797900 742205156 /nfs/dbraw/zinc/20/51/56/742205156.db2.gz ZWVDIRRCMJWSBY-BHYGNILZSA-N 1 2 282.387 1.922 20 30 CDEDLO COC(=O)/C=C\c1ccc(C[NH2+]CC2(C#N)CC2)o1 ZINC000848908471 742318179 /nfs/dbraw/zinc/31/81/79/742318179.db2.gz VIEZCIFRFCKSPS-PLNGDYQASA-N 1 2 260.293 1.859 20 30 CDEDLO CC(C)CNC(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000029464505 742350686 /nfs/dbraw/zinc/35/06/86/742350686.db2.gz NBGASUKXDXKSLL-UHFFFAOYSA-N 1 2 267.304 1.235 20 30 CDEDLO COC1(OC)CCOC[C@H]1[NH2+]Cc1ccccc1C#N ZINC000931667798 742366508 /nfs/dbraw/zinc/36/65/08/742366508.db2.gz NTCAXNGQMJDXOX-CQSZACIVSA-N 1 2 276.336 1.426 20 30 CDEDLO Cc1nn(C)c(N)c1C=[NH+]Nc1cccc([N+](=O)[O-])c1C ZINC000814833813 742380894 /nfs/dbraw/zinc/38/08/94/742380894.db2.gz LBGVEMDQBMZURD-UHFFFAOYSA-N 1 2 288.311 1.973 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2CC(C)(C)C2)C1 ZINC001035361720 742383956 /nfs/dbraw/zinc/38/39/56/742383956.db2.gz KZJDUTBEUGESET-CYBMUJFWSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C2CC(C)(C)C2)C1 ZINC001035361720 742383961 /nfs/dbraw/zinc/38/39/61/742383961.db2.gz KZJDUTBEUGESET-CYBMUJFWSA-N 1 2 266.385 1.426 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CCOc3ccccc32)C1 ZINC001030789454 742423037 /nfs/dbraw/zinc/42/30/37/742423037.db2.gz IRIOYWNRNMBUQO-AWEZNQCLSA-N 1 2 298.386 1.767 20 30 CDEDLO CN(C)c1c(C=[NH+]Nc2cnnn2C)ccc(F)c1F ZINC000863117293 742446882 /nfs/dbraw/zinc/44/68/82/742446882.db2.gz ORUVXGTWQOTMKG-UHFFFAOYSA-N 1 2 280.282 1.605 20 30 CDEDLO C=CCN(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000779664329 742470329 /nfs/dbraw/zinc/47/03/29/742470329.db2.gz QPSNSJPHKCLWRX-GFCCVEGCSA-N 1 2 262.357 1.804 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ncc[nH]2)cc1 ZINC001038231152 742523496 /nfs/dbraw/zinc/52/34/96/742523496.db2.gz JHELMZGQXVKNEF-CQSZACIVSA-N 1 2 295.346 1.286 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ncc[nH]2)cc1 ZINC001038231152 742523503 /nfs/dbraw/zinc/52/35/03/742523503.db2.gz JHELMZGQXVKNEF-CQSZACIVSA-N 1 2 295.346 1.286 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2cc3n(c2)CCCC3)C1 ZINC001044385630 742559708 /nfs/dbraw/zinc/55/97/08/742559708.db2.gz FDMZYCVURLTVJX-UHFFFAOYSA-N 1 2 273.380 1.767 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(C2CC2)c1 ZINC001017709405 742575295 /nfs/dbraw/zinc/57/52/95/742575295.db2.gz NPVZSDQQCYPRNO-IYBDPMFKSA-N 1 2 295.386 1.881 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(C2CC2)c1 ZINC001017709405 742575297 /nfs/dbraw/zinc/57/52/97/742575297.db2.gz NPVZSDQQCYPRNO-IYBDPMFKSA-N 1 2 295.386 1.881 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2nnc[nH]2)CC1 ZINC001052853151 742649699 /nfs/dbraw/zinc/64/96/99/742649699.db2.gz PCDBHWHKDLUNIS-LLVKDONJSA-N 1 2 297.790 1.070 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2nnc[nH]2)CC1 ZINC001052853151 742649709 /nfs/dbraw/zinc/64/97/09/742649709.db2.gz PCDBHWHKDLUNIS-LLVKDONJSA-N 1 2 297.790 1.070 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccn(C)c2)C1 ZINC001010549505 742662207 /nfs/dbraw/zinc/66/22/07/742662207.db2.gz AAIGRUVRMOZEOB-LBPRGKRZSA-N 1 2 267.760 1.582 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C)c2)C1 ZINC001010549505 742662222 /nfs/dbraw/zinc/66/22/22/742662222.db2.gz AAIGRUVRMOZEOB-LBPRGKRZSA-N 1 2 267.760 1.582 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC001050980803 742681361 /nfs/dbraw/zinc/68/13/61/742681361.db2.gz BEUMMTVLXSLYBV-CKDBGZEDSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC001050980803 742681375 /nfs/dbraw/zinc/68/13/75/742681375.db2.gz BEUMMTVLXSLYBV-CKDBGZEDSA-N 1 2 292.423 1.960 20 30 CDEDLO Cc1conc1C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 ZINC001027329240 742681450 /nfs/dbraw/zinc/68/14/50/742681450.db2.gz AAUQFMCQYSIHQO-WCQYABFASA-N 1 2 290.367 1.566 20 30 CDEDLO Cc1conc1C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 ZINC001027329240 742681454 /nfs/dbraw/zinc/68/14/54/742681454.db2.gz AAUQFMCQYSIHQO-WCQYABFASA-N 1 2 290.367 1.566 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)(C)C)nn1C ZINC001038669882 742701749 /nfs/dbraw/zinc/70/17/49/742701749.db2.gz KIAIDXQCNXPVEI-GFCCVEGCSA-N 1 2 288.395 1.155 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)(C)C)nn1C ZINC001038669882 742701754 /nfs/dbraw/zinc/70/17/54/742701754.db2.gz KIAIDXQCNXPVEI-GFCCVEGCSA-N 1 2 288.395 1.155 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)cccc1C ZINC001038728548 742731439 /nfs/dbraw/zinc/73/14/39/742731439.db2.gz MUKPPRRQXPKWAK-AWEZNQCLSA-N 1 2 256.349 1.741 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)cccc1C ZINC001038728548 742731448 /nfs/dbraw/zinc/73/14/48/742731448.db2.gz MUKPPRRQXPKWAK-AWEZNQCLSA-N 1 2 256.349 1.741 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928635369 742805253 /nfs/dbraw/zinc/80/52/53/742805253.db2.gz KWNVHDJYEBLQCR-RBSFLKMASA-N 1 2 296.411 1.195 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001030856001 742806858 /nfs/dbraw/zinc/80/68/58/742806858.db2.gz QPWVZRPFKUZWLP-UHFFFAOYSA-N 1 2 257.337 1.329 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3c(c2)C[C@H](C)O3)C1 ZINC001044056023 742807636 /nfs/dbraw/zinc/80/76/36/742807636.db2.gz LQTOERUIZKITIB-ZDUSSCGKSA-N 1 2 298.386 1.790 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+]Cc1ncc(Cl)s1 ZINC000381511707 742823442 /nfs/dbraw/zinc/82/34/42/742823442.db2.gz WZGFOKHGRBTMNB-UHFFFAOYSA-N 1 2 280.802 1.487 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc3c(cn2)CCCC3)C1 ZINC001043287147 742826963 /nfs/dbraw/zinc/82/69/63/742826963.db2.gz PQNIIVWIKROBBD-UHFFFAOYSA-N 1 2 297.402 1.740 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](CCC)OC ZINC001406125996 976046247 /nfs/dbraw/zinc/04/62/47/976046247.db2.gz NYDOTBYFWGTLKL-GFCCVEGCSA-N 1 2 276.808 1.944 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](CCC)OC ZINC001406125996 976046260 /nfs/dbraw/zinc/04/62/60/976046260.db2.gz NYDOTBYFWGTLKL-GFCCVEGCSA-N 1 2 276.808 1.944 20 30 CDEDLO C=CC(C)(C)C(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001228622111 1167383729 /nfs/dbraw/zinc/38/37/29/1167383729.db2.gz MYGHCLXBAAITMX-UHFFFAOYSA-N 1 2 290.411 1.713 20 30 CDEDLO CCN(CC)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001646673393 1168035354 /nfs/dbraw/zinc/03/53/54/1168035354.db2.gz ICRVPPCRGOZSNM-UHFFFAOYSA-N 1 2 290.415 1.754 20 30 CDEDLO C=CCOCC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001095029702 912212199 /nfs/dbraw/zinc/21/21/99/912212199.db2.gz BRSCVHSNBFJZET-GFCCVEGCSA-N 1 2 276.340 1.000 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@](O)(CF)CC2)c1 ZINC001232673606 912370939 /nfs/dbraw/zinc/37/09/39/912370939.db2.gz JUKMPXFSNUVDRL-OAHLLOKOSA-N 1 2 278.327 1.950 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@](O)(CF)CC2)c1 ZINC001232673606 912370961 /nfs/dbraw/zinc/37/09/61/912370961.db2.gz JUKMPXFSNUVDRL-OAHLLOKOSA-N 1 2 278.327 1.950 20 30 CDEDLO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232674077 912383597 /nfs/dbraw/zinc/38/35/97/912383597.db2.gz RJLRESRXRZXUCT-WCQYABFASA-N 1 2 260.337 1.857 20 30 CDEDLO C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1cc(C#N)ccc1O ZINC001232674077 912383616 /nfs/dbraw/zinc/38/36/16/912383616.db2.gz RJLRESRXRZXUCT-WCQYABFASA-N 1 2 260.337 1.857 20 30 CDEDLO N#Cc1cc[nH]c1C[NH+]1CCC2(CCC(=O)N2)CC1 ZINC001233049830 912686747 /nfs/dbraw/zinc/68/67/47/912686747.db2.gz UKMVSHDZVQKCQX-UHFFFAOYSA-N 1 2 258.325 1.131 20 30 CDEDLO CCC(C#N)(CC)[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173750330 912787490 /nfs/dbraw/zinc/78/74/90/912787490.db2.gz NJXVFHIYTCPFQX-NEPJUHHUSA-N 1 2 262.361 1.829 20 30 CDEDLO C#Cc1cc(Nc2cncc(C(C)(C)O)c2)cc[nH+]1 ZINC001174587298 913223535 /nfs/dbraw/zinc/22/35/35/913223535.db2.gz KOPVHSABHVBLBL-UHFFFAOYSA-N 1 2 253.305 1.851 20 30 CDEDLO C#CC[NH2+]C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001106155322 913441512 /nfs/dbraw/zinc/44/15/12/913441512.db2.gz RWFRREHYCGOZPN-BBBLOLIVSA-N 1 2 280.265 1.204 20 30 CDEDLO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C ZINC001106155322 913441530 /nfs/dbraw/zinc/44/15/30/913441530.db2.gz RWFRREHYCGOZPN-BBBLOLIVSA-N 1 2 280.265 1.204 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCO[C@@H](CCC)C2)C1 ZINC001031155242 913777124 /nfs/dbraw/zinc/77/71/24/913777124.db2.gz IFCODZOSZYZEHA-HIFRSBDPSA-N 1 2 280.412 1.958 20 30 CDEDLO N#CCc1nc(Cl)cc(NCc2cc[nH+]c(N)c2)n1 ZINC001167615097 897045949 /nfs/dbraw/zinc/04/59/49/897045949.db2.gz YJYRTVRRZDFICA-UHFFFAOYSA-N 1 2 274.715 1.785 20 30 CDEDLO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140756588 898202441 /nfs/dbraw/zinc/20/24/41/898202441.db2.gz NTHUOWYOEZIMHA-GFCCVEGCSA-N 1 2 293.317 1.889 20 30 CDEDLO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140756588 898202457 /nfs/dbraw/zinc/20/24/57/898202457.db2.gz NTHUOWYOEZIMHA-GFCCVEGCSA-N 1 2 293.317 1.889 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ncoc1C ZINC001480965042 898396399 /nfs/dbraw/zinc/39/63/99/898396399.db2.gz DTIFDKAJSWULCW-UHFFFAOYSA-N 1 2 271.748 1.787 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ncoc1C ZINC001480965042 898396403 /nfs/dbraw/zinc/39/64/03/898396403.db2.gz DTIFDKAJSWULCW-UHFFFAOYSA-N 1 2 271.748 1.787 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1nn(CC)nc1C ZINC001481020786 898512371 /nfs/dbraw/zinc/51/23/71/898512371.db2.gz VMMOZCMJBSMJTM-UHFFFAOYSA-N 1 2 299.806 1.411 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1nn(CC)nc1C ZINC001481020786 898512378 /nfs/dbraw/zinc/51/23/78/898512378.db2.gz VMMOZCMJBSMJTM-UHFFFAOYSA-N 1 2 299.806 1.411 20 30 CDEDLO C[C@H](CNc1ccc(C#N)nc1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001104602149 898781791 /nfs/dbraw/zinc/78/17/91/898781791.db2.gz CUFVOBWYIMLDDP-GFCCVEGCSA-N 1 2 298.350 1.109 20 30 CDEDLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)c1cccc(C#N)c1 ZINC001176833483 914294675 /nfs/dbraw/zinc/29/46/75/914294675.db2.gz MIKWTLUJVUBDKV-JTQLQIEISA-N 1 2 254.293 1.701 20 30 CDEDLO [NH2+]=C(NC([O-])=Cc1c[nH]c[nH+]1)c1ccc2cc(O)ccc2c1 ZINC001176836101 914298309 /nfs/dbraw/zinc/29/83/09/914298309.db2.gz BJKMAAYRRQUCFK-UHFFFAOYSA-N 1 2 294.314 1.743 20 30 CDEDLO N#Cc1cccc2c1CC[C@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC001176836565 914301717 /nfs/dbraw/zinc/30/17/17/914301717.db2.gz KWVNWJLHPKSRIF-CQSZACIVSA-N 1 2 266.304 1.628 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N(CC)CCNc1cc[nH+]c(C)n1 ZINC001106787705 914306878 /nfs/dbraw/zinc/30/68/78/914306878.db2.gz SGEOETRDMNEUET-LBPRGKRZSA-N 1 2 292.383 1.637 20 30 CDEDLO CCN(CCNc1ncccc1C#N)C(=O)Cn1cc[nH+]c1 ZINC001106789004 914307761 /nfs/dbraw/zinc/30/77/61/914307761.db2.gz DTTWQMISODKASV-UHFFFAOYSA-N 1 2 298.350 1.110 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@@H+](CC(=C)C)[C@@H]2C1 ZINC001176954623 914393186 /nfs/dbraw/zinc/39/31/86/914393186.db2.gz GSKLATNWMKVAOP-CABCVRRESA-N 1 2 278.396 1.830 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@H+](CC(=C)C)[C@@H]2C1 ZINC001176954623 914393200 /nfs/dbraw/zinc/39/32/00/914393200.db2.gz GSKLATNWMKVAOP-CABCVRRESA-N 1 2 278.396 1.830 20 30 CDEDLO CC(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031502885 914682095 /nfs/dbraw/zinc/68/20/95/914682095.db2.gz MVHWRZBSVAELOT-UHFFFAOYSA-N 1 2 260.312 1.245 20 30 CDEDLO C=C(Cl)C(C)(C)C(=O)NCC[NH2+]Cc1cnsn1 ZINC001128189652 921156626 /nfs/dbraw/zinc/15/66/26/921156626.db2.gz ACFUBTPAZDEHQJ-UHFFFAOYSA-N 1 2 288.804 1.523 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc(CC)on1 ZINC001482643139 908108950 /nfs/dbraw/zinc/10/89/50/908108950.db2.gz GLXWGCWPGLRPBQ-UHFFFAOYSA-N 1 2 285.775 1.993 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc(CC)on1 ZINC001482643139 908108959 /nfs/dbraw/zinc/10/89/59/908108959.db2.gz GLXWGCWPGLRPBQ-UHFFFAOYSA-N 1 2 285.775 1.993 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)CC=C(Cl)Cl)C1 ZINC001189401526 921474599 /nfs/dbraw/zinc/47/45/99/921474599.db2.gz YBJLWISVRVLNQT-NXEZZACHSA-N 1 2 290.194 1.998 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)CC=C(Cl)Cl)C1 ZINC001189401526 921474606 /nfs/dbraw/zinc/47/46/06/921474606.db2.gz YBJLWISVRVLNQT-NXEZZACHSA-N 1 2 290.194 1.998 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(F)F)c1nccn12 ZINC001092338884 909377317 /nfs/dbraw/zinc/37/73/17/909377317.db2.gz PWVPXINXZJMJNK-SNVBAGLBSA-N 1 2 296.321 1.296 20 30 CDEDLO Cc1cnc([C@H](C)[NH2+]CCNC(=O)C#CC2CC2)o1 ZINC001126876051 909481902 /nfs/dbraw/zinc/48/19/02/909481902.db2.gz ZGCDNAWBIYBAII-NSHDSACASA-N 1 2 261.325 1.163 20 30 CDEDLO CC(C)(C)c1cnc(C[NH2+]CCNC(=O)C#CC2CC2)o1 ZINC001126886782 909550726 /nfs/dbraw/zinc/55/07/26/909550726.db2.gz YTELLNIQSCPHAM-UHFFFAOYSA-N 1 2 289.379 1.591 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001094045542 910282378 /nfs/dbraw/zinc/28/23/78/910282378.db2.gz AOJOOYALHLUKRG-WDEREUQCSA-N 1 2 262.357 1.771 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001094098349 910334184 /nfs/dbraw/zinc/33/41/84/910334184.db2.gz BOJUZQWEQGFHFL-CQSZACIVSA-N 1 2 262.357 1.915 20 30 CDEDLO C[C@@H](CC(=O)NCCNc1ccc(C#N)nc1)n1cc[nH+]c1 ZINC001094168002 910381351 /nfs/dbraw/zinc/38/13/51/910381351.db2.gz RVUXMNASQVZCMP-LBPRGKRZSA-N 1 2 298.350 1.329 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccsn1 ZINC001409579970 910523533 /nfs/dbraw/zinc/52/35/33/910523533.db2.gz QFUQYKNDTNPPIH-SECBINFHSA-N 1 2 273.789 1.946 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccsn1 ZINC001409579970 910523545 /nfs/dbraw/zinc/52/35/45/910523545.db2.gz QFUQYKNDTNPPIH-SECBINFHSA-N 1 2 273.789 1.946 20 30 CDEDLO C=CC[C@@H]([NH2+][C@@H](C)CCC(=O)OC(C)C)C(=O)OC ZINC001172743659 911893891 /nfs/dbraw/zinc/89/38/91/911893891.db2.gz HGSOQCJNPCIUMD-NWDGAFQWSA-N 1 2 271.357 1.814 20 30 CDEDLO CC(C)(C)OC(=O)CN1CCC([N@@H+]2CCC[C@H]2C#N)CC1 ZINC001172892497 912049950 /nfs/dbraw/zinc/04/99/50/912049950.db2.gz YDLBTBATPDLKLD-AWEZNQCLSA-N 1 2 293.411 1.780 20 30 CDEDLO CC(C)(C)OC(=O)CN1CCC([N@H+]2CCC[C@H]2C#N)CC1 ZINC001172892497 912049967 /nfs/dbraw/zinc/04/99/67/912049967.db2.gz YDLBTBATPDLKLD-AWEZNQCLSA-N 1 2 293.411 1.780 20 30 CDEDLO CC(C)(C)OC(=O)C[NH+]1CCC(N2CCC[C@H]2C#N)CC1 ZINC001172892497 912049981 /nfs/dbraw/zinc/04/99/81/912049981.db2.gz YDLBTBATPDLKLD-AWEZNQCLSA-N 1 2 293.411 1.780 20 30 CDEDLO C[C@H](C(=O)NCc1ccc(C#N)c(F)c1)n1cc[nH+]c1 ZINC001177926784 915009542 /nfs/dbraw/zinc/00/95/42/915009542.db2.gz JUDCBAVVUUHWKC-SNVBAGLBSA-N 1 2 272.283 1.771 20 30 CDEDLO Cn1c[nH+]c(CCNC(=O)[C@@H](C#N)Cc2cccs2)c1 ZINC001177917262 915022970 /nfs/dbraw/zinc/02/29/70/915022970.db2.gz QXELDHFOFODNRF-LLVKDONJSA-N 1 2 288.376 1.523 20 30 CDEDLO C=C[C@@H]1C[C@]1(NC(=O)[C@@H](C)n1cc[nH+]c1)C(=O)OCC ZINC001177929858 915059514 /nfs/dbraw/zinc/05/95/14/915059514.db2.gz UHMHPWOLAYKIQN-JTNHKYCSSA-N 1 2 277.324 1.068 20 30 CDEDLO CC#CC(=O)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001179750521 915965018 /nfs/dbraw/zinc/96/50/18/915965018.db2.gz NIFCJZMBSLWFHG-CQSZACIVSA-N 1 2 287.363 1.291 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(OC)nc1 ZINC001485326008 916843557 /nfs/dbraw/zinc/84/35/57/916843557.db2.gz CCWVIRABBYWWRU-NSHDSACASA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(OC)nc1 ZINC001485326008 916843564 /nfs/dbraw/zinc/84/35/64/916843564.db2.gz CCWVIRABBYWWRU-NSHDSACASA-N 1 2 297.786 1.893 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)Cc1ccccc1C#N ZINC001181806110 917390880 /nfs/dbraw/zinc/39/08/80/917390880.db2.gz UUAOCDXYCFGBCO-UHFFFAOYSA-N 1 2 268.320 1.193 20 30 CDEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C=C(C)C)nn2)C1 ZINC001107124324 918137355 /nfs/dbraw/zinc/13/73/55/918137355.db2.gz YPUIGFOXRIZFPP-UHFFFAOYSA-N 1 2 289.383 1.293 20 30 CDEDLO C=C(C)CC[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127737241 918275860 /nfs/dbraw/zinc/27/58/60/918275860.db2.gz NDUOFWVFHUDPMO-MRVPVSSYSA-N 1 2 256.243 1.559 20 30 CDEDLO C=C(C)CC[NH2+]CCNC(=O)[C@@H](F)C(F)(F)F ZINC001127737241 918275877 /nfs/dbraw/zinc/27/58/77/918275877.db2.gz NDUOFWVFHUDPMO-MRVPVSSYSA-N 1 2 256.243 1.559 20 30 CDEDLO CC[C@@H](CC#N)[NH2+][C@H](CC(=O)OC)c1cccnc1 ZINC001255155835 936505423 /nfs/dbraw/zinc/50/54/23/936505423.db2.gz BJIPZIVCKVHESI-QWHCGFSZSA-N 1 2 261.325 1.968 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccncc2)C1 ZINC001107691129 918632431 /nfs/dbraw/zinc/63/24/31/918632431.db2.gz SAMJDOMWQVGTEF-OAHLLOKOSA-N 1 2 275.352 1.088 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccncc2)C1 ZINC001107691129 918632441 /nfs/dbraw/zinc/63/24/41/918632441.db2.gz SAMJDOMWQVGTEF-OAHLLOKOSA-N 1 2 275.352 1.088 20 30 CDEDLO Cc1[nH]c2ccc(C#N)cc2c1CC(=O)NC1C[NH+](C)C1 ZINC001183890302 918731648 /nfs/dbraw/zinc/73/16/48/918731648.db2.gz URGLICAUAGJWOW-UHFFFAOYSA-N 1 2 282.347 1.321 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CC[C@H]2CCOC2)C1 ZINC001107854562 918888232 /nfs/dbraw/zinc/88/82/32/918888232.db2.gz IIVDIIGIHJWQRO-GOEBONIOSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CC[C@H]2CCOC2)C1 ZINC001107854562 918888246 /nfs/dbraw/zinc/88/82/46/918888246.db2.gz IIVDIIGIHJWQRO-GOEBONIOSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[C@H]2CCOC2)C1 ZINC001107854563 918890325 /nfs/dbraw/zinc/89/03/25/918890325.db2.gz IIVDIIGIHJWQRO-HOCLYGCPSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CC[C@H]2CCOC2)C1 ZINC001107854563 918890337 /nfs/dbraw/zinc/89/03/37/918890337.db2.gz IIVDIIGIHJWQRO-HOCLYGCPSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(C(F)F)CC2)C1 ZINC001107944069 919106587 /nfs/dbraw/zinc/10/65/87/919106587.db2.gz LOZRIVZKKMPYEN-CYBMUJFWSA-N 1 2 288.338 1.425 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2(C(F)F)CC2)C1 ZINC001107944069 919106598 /nfs/dbraw/zinc/10/65/98/919106598.db2.gz LOZRIVZKKMPYEN-CYBMUJFWSA-N 1 2 288.338 1.425 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(C(F)(F)F)cn2)CC1 ZINC001139014832 936588262 /nfs/dbraw/zinc/58/82/62/936588262.db2.gz HCTVHRZAAIHUIW-UHFFFAOYSA-N 1 2 283.297 1.851 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001128081681 919751518 /nfs/dbraw/zinc/75/15/18/919751518.db2.gz YYRQRVZLDAWKMJ-UHFFFAOYSA-N 1 2 277.368 1.957 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2ccccc2)C1 ZINC001108030135 920113105 /nfs/dbraw/zinc/11/31/05/920113105.db2.gz AXPZVBRFWKYGGL-KRWDZBQOSA-N 1 2 288.391 1.622 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2ccccc2)C1 ZINC001108030135 920113111 /nfs/dbraw/zinc/11/31/11/920113111.db2.gz AXPZVBRFWKYGGL-KRWDZBQOSA-N 1 2 288.391 1.622 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c1 ZINC001139646697 936633922 /nfs/dbraw/zinc/63/39/22/936633922.db2.gz FPBYRLGHIKGMDX-OLZOCXBDSA-N 1 2 252.264 1.602 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)c1 ZINC001139646697 936633924 /nfs/dbraw/zinc/63/39/24/936633924.db2.gz FPBYRLGHIKGMDX-OLZOCXBDSA-N 1 2 252.264 1.602 20 30 CDEDLO COCC#CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001187121450 920368114 /nfs/dbraw/zinc/36/81/14/920368114.db2.gz AMFFIOGZURQCJR-UHFFFAOYSA-N 1 2 255.277 1.461 20 30 CDEDLO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)nc1 ZINC001140547567 936723898 /nfs/dbraw/zinc/72/38/98/936723898.db2.gz UTYCWPJWKUQRPF-ZDUSSCGKSA-N 1 2 258.325 1.054 20 30 CDEDLO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)nc1 ZINC001140547567 936723900 /nfs/dbraw/zinc/72/39/00/936723900.db2.gz UTYCWPJWKUQRPF-ZDUSSCGKSA-N 1 2 258.325 1.054 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C3CCC3)C[C@@H]21 ZINC001074133954 936733899 /nfs/dbraw/zinc/73/38/99/936733899.db2.gz UPXDNRXKPBJGGV-GJZGRUSLSA-N 1 2 278.396 1.664 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3CCC3)C[C@@H]21 ZINC001074133954 936733901 /nfs/dbraw/zinc/73/39/01/936733901.db2.gz UPXDNRXKPBJGGV-GJZGRUSLSA-N 1 2 278.396 1.664 20 30 CDEDLO N#C[C@H]1CN(Cc2c[nH]c3cc[nH+]cc23)CCC1=O ZINC001140807118 936759036 /nfs/dbraw/zinc/75/90/36/936759036.db2.gz MTMCBMSSVVBVAZ-JTQLQIEISA-N 1 2 254.293 1.477 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2nnc[nH]2)C1 ZINC001099085655 936778637 /nfs/dbraw/zinc/77/86/37/936778637.db2.gz ZKJAPDPEJJJTJH-GWCFXTLKSA-N 1 2 295.774 1.142 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2nnc[nH]2)C1 ZINC001099085655 936778638 /nfs/dbraw/zinc/77/86/38/936778638.db2.gz ZKJAPDPEJJJTJH-GWCFXTLKSA-N 1 2 295.774 1.142 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)[nH]n1 ZINC001203081615 936782894 /nfs/dbraw/zinc/78/28/94/936782894.db2.gz XVUNJVIRVYKBES-UHFFFAOYSA-N 1 2 281.363 1.912 20 30 CDEDLO CC(C)(C)[NH+]1CCN(C(=O)c2ccc(O)c(C#N)c2)CC1 ZINC001193503790 923753397 /nfs/dbraw/zinc/75/33/97/923753397.db2.gz GUIMGVSQPWKTLY-UHFFFAOYSA-N 1 2 287.363 1.820 20 30 CDEDLO CCC[NH+]1CCC(NC(=O)c2cccc(C#N)c2O)CC1 ZINC001193657994 923845307 /nfs/dbraw/zinc/84/53/07/923845307.db2.gz PATMNPVCQSMMEF-UHFFFAOYSA-N 1 2 287.363 1.868 20 30 CDEDLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2[nH]cnc2C#N)c1 ZINC001194886637 924370758 /nfs/dbraw/zinc/37/07/58/924370758.db2.gz IVHZYDHVXHKVBA-UHFFFAOYSA-N 1 2 292.302 1.934 20 30 CDEDLO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001079699091 924408813 /nfs/dbraw/zinc/40/88/13/924408813.db2.gz ASDUAJSRZDVBDV-LALPHHSUSA-N 1 2 288.395 1.452 20 30 CDEDLO C=CCOCC(=O)N1CCC[N@@H+](Cc2cnc(C)o2)CC1 ZINC001195283803 924530848 /nfs/dbraw/zinc/53/08/48/924530848.db2.gz JTTPVAZPPZYMHV-UHFFFAOYSA-N 1 2 293.367 1.220 20 30 CDEDLO C=CCOCC(=O)N1CCC[N@H+](Cc2cnc(C)o2)CC1 ZINC001195283803 924530853 /nfs/dbraw/zinc/53/08/53/924530853.db2.gz JTTPVAZPPZYMHV-UHFFFAOYSA-N 1 2 293.367 1.220 20 30 CDEDLO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC001080654693 924613977 /nfs/dbraw/zinc/61/39/77/924613977.db2.gz DTSUOEITHWWVSW-BXUZGUMPSA-N 1 2 282.347 1.246 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC001080654693 924613981 /nfs/dbraw/zinc/61/39/81/924613981.db2.gz DTSUOEITHWWVSW-BXUZGUMPSA-N 1 2 282.347 1.246 20 30 CDEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2nocc2C)C[C@H]1O ZINC001099723625 924705190 /nfs/dbraw/zinc/70/51/90/924705190.db2.gz IWVNGQIBYMERRZ-GXTWGEPZSA-N 1 2 293.367 1.001 20 30 CDEDLO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2nocc2C)C[C@H]1O ZINC001099723625 924705202 /nfs/dbraw/zinc/70/52/02/924705202.db2.gz IWVNGQIBYMERRZ-GXTWGEPZSA-N 1 2 293.367 1.001 20 30 CDEDLO CSc1nc(C[N@@H+]2CCOC[C@](C)(O)C2)ccc1C#N ZINC001141931613 936955655 /nfs/dbraw/zinc/95/56/55/936955655.db2.gz GNYNAFIUJCQTCQ-CQSZACIVSA-N 1 2 293.392 1.258 20 30 CDEDLO CSc1nc(C[N@H+]2CCOC[C@](C)(O)C2)ccc1C#N ZINC001141931613 936955658 /nfs/dbraw/zinc/95/56/58/936955658.db2.gz GNYNAFIUJCQTCQ-CQSZACIVSA-N 1 2 293.392 1.258 20 30 CDEDLO CC#CCCCC(=O)N1CCC[N@H+](CCF)CC1 ZINC001196846538 924993086 /nfs/dbraw/zinc/99/30/86/924993086.db2.gz GJBQXCANKVOPMF-UHFFFAOYSA-N 1 2 254.349 1.684 20 30 CDEDLO CC#CCCCC(=O)N1CCC[N@@H+](CCF)CC1 ZINC001196846538 924993093 /nfs/dbraw/zinc/99/30/93/924993093.db2.gz GJBQXCANKVOPMF-UHFFFAOYSA-N 1 2 254.349 1.684 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3cc(C)ccc3o2)[C@@H](O)C1 ZINC001084089713 925141482 /nfs/dbraw/zinc/14/14/82/925141482.db2.gz YLPXWNWERBINEV-KGLIPLIRSA-N 1 2 298.342 1.149 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3cc(C)ccc3o2)[C@@H](O)C1 ZINC001084089713 925141485 /nfs/dbraw/zinc/14/14/85/925141485.db2.gz YLPXWNWERBINEV-KGLIPLIRSA-N 1 2 298.342 1.149 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC3)[C@@H]2C1 ZINC001084141630 925153464 /nfs/dbraw/zinc/15/34/64/925153464.db2.gz SSSVIPXQUYJNMO-VXGBXAGGSA-N 1 2 254.761 1.682 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC3)[C@@H]2C1 ZINC001084141630 925153470 /nfs/dbraw/zinc/15/34/70/925153470.db2.gz SSSVIPXQUYJNMO-VXGBXAGGSA-N 1 2 254.761 1.682 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001098294582 925419971 /nfs/dbraw/zinc/41/99/71/925419971.db2.gz VYDGHZFEIKHEMG-UHTWSYAYSA-N 1 2 290.367 1.293 20 30 CDEDLO CN(CC#N)C(=O)/C=C/c1ccc(Cn2cc[nH+]c2)cc1 ZINC001142368573 937008429 /nfs/dbraw/zinc/00/84/29/937008429.db2.gz QTMRGBKYNOYRDV-VOTSOKGWSA-N 1 2 280.331 1.927 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2conc2CC)C1 ZINC001108196375 925760259 /nfs/dbraw/zinc/76/02/59/925760259.db2.gz YOSXAPFDMNBSQR-HNNXBMFYSA-N 1 2 293.367 1.244 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2conc2CC)C1 ZINC001108196375 925760261 /nfs/dbraw/zinc/76/02/61/925760261.db2.gz YOSXAPFDMNBSQR-HNNXBMFYSA-N 1 2 293.367 1.244 20 30 CDEDLO N#Cc1ccc(C(=O)Nc2cccc3[nH+]ccn32)[nH]1 ZINC001199676752 925807339 /nfs/dbraw/zinc/80/73/39/925807339.db2.gz GXVROYBWCKBDSR-UHFFFAOYSA-N 1 2 251.249 1.786 20 30 CDEDLO N#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001085231493 925824542 /nfs/dbraw/zinc/82/45/42/925824542.db2.gz BZLDKKPYQMCHEP-FDYHWXHSSA-N 1 2 287.367 1.054 20 30 CDEDLO N#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001085231493 925824547 /nfs/dbraw/zinc/82/45/47/925824547.db2.gz BZLDKKPYQMCHEP-FDYHWXHSSA-N 1 2 287.367 1.054 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]c(CC(C)C)n1 ZINC001085595911 926194002 /nfs/dbraw/zinc/19/40/02/926194002.db2.gz PXRVTPYJHYKRPT-ZDUSSCGKSA-N 1 2 288.395 1.388 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]c(CC(C)C)n1 ZINC001085595911 926194005 /nfs/dbraw/zinc/19/40/05/926194005.db2.gz PXRVTPYJHYKRPT-ZDUSSCGKSA-N 1 2 288.395 1.388 20 30 CDEDLO Cc1ccc(S(=O)(=O)Nc2c[nH+]cn2C)cc1C#N ZINC001201294968 926256936 /nfs/dbraw/zinc/25/69/36/926256936.db2.gz JYPWBZDCLYCXGP-UHFFFAOYSA-N 1 2 276.321 1.401 20 30 CDEDLO C=CCOCC(=O)N(C)[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102691966 937079160 /nfs/dbraw/zinc/07/91/60/937079160.db2.gz LIZSLVLKQWGMKU-CYBMUJFWSA-N 1 2 290.367 1.025 20 30 CDEDLO COC(=O)N1CC[NH+](Cc2c[nH]c3cc(C#N)ccc23)CC1 ZINC001142911844 937091629 /nfs/dbraw/zinc/09/16/29/937091629.db2.gz LPHUOIUGEQLKRY-UHFFFAOYSA-N 1 2 298.346 1.924 20 30 CDEDLO N#CCCN(CCC#N)Cc1cccn2cc[nH+]c12 ZINC001142961715 937100419 /nfs/dbraw/zinc/10/04/19/937100419.db2.gz QGBUZSATWIYGBX-UHFFFAOYSA-N 1 2 253.309 1.964 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2cccn3ccnc23)CC1 ZINC001142962271 937100910 /nfs/dbraw/zinc/10/09/10/937100910.db2.gz GKXSMIDUEYBQCA-UHFFFAOYSA-N 1 2 298.346 1.613 20 30 CDEDLO C=CCC(C)(C)C(=O)NC[C@]1(C)C[N@H+](CC#CC)CCO1 ZINC001108246839 926769418 /nfs/dbraw/zinc/76/94/18/926769418.db2.gz WOAFCTPGRSVIAR-QGZVFWFLSA-N 1 2 292.423 1.819 20 30 CDEDLO C=CCC(C)(C)C(=O)NC[C@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001108246839 926769429 /nfs/dbraw/zinc/76/94/29/926769429.db2.gz WOAFCTPGRSVIAR-QGZVFWFLSA-N 1 2 292.423 1.819 20 30 CDEDLO CC[C@@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1cc[nH+]c(C)n1 ZINC001103063158 937118831 /nfs/dbraw/zinc/11/88/31/937118831.db2.gz MISNQJYFLTWTOI-NSHDSACASA-N 1 2 298.350 1.605 20 30 CDEDLO N#CC1(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC001143174231 937129306 /nfs/dbraw/zinc/12/93/06/937129306.db2.gz OTVPRIMBSQEFPJ-UHFFFAOYSA-N 1 2 299.374 1.513 20 30 CDEDLO Cc1cc(C#N)c(NC(=O)CC[NH+]2CCN(C)CC2)s1 ZINC001143224366 937139723 /nfs/dbraw/zinc/13/97/23/937139723.db2.gz VEBJZVMXSDMNPM-UHFFFAOYSA-N 1 2 292.408 1.504 20 30 CDEDLO Cc1nc(NC[C@H](C)CNC(=O)C#CC2CC2)cc[nH+]1 ZINC001103936092 937178777 /nfs/dbraw/zinc/17/87/77/937178777.db2.gz DRTOUSNZCMHWEV-NSHDSACASA-N 1 2 272.352 1.363 20 30 CDEDLO C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)CNc1ncccc1C#N ZINC001104052758 937187153 /nfs/dbraw/zinc/18/71/53/937187153.db2.gz IYNINWYXUSEJQH-NSHDSACASA-N 1 2 298.350 1.083 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(N(C)C)n1 ZINC000782081089 937237979 /nfs/dbraw/zinc/23/79/79/937237979.db2.gz GVBVTJFZURPSCR-LBPRGKRZSA-N 1 2 272.352 1.184 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(N(C)C)n1 ZINC000782081089 937237981 /nfs/dbraw/zinc/23/79/81/937237981.db2.gz GVBVTJFZURPSCR-LBPRGKRZSA-N 1 2 272.352 1.184 20 30 CDEDLO C[N@@H+]1CCOC[C@@H]1CNc1cc(C2(C#N)CC2)ccn1 ZINC001169654192 928290365 /nfs/dbraw/zinc/29/03/65/928290365.db2.gz XMCATEXWFVPGMW-ZDUSSCGKSA-N 1 2 272.352 1.379 20 30 CDEDLO C[N@H+]1CCOC[C@@H]1CNc1cc(C2(C#N)CC2)ccn1 ZINC001169654192 928290378 /nfs/dbraw/zinc/29/03/78/928290378.db2.gz XMCATEXWFVPGMW-ZDUSSCGKSA-N 1 2 272.352 1.379 20 30 CDEDLO Cc1cc(NC[C@@H]2COCC[N@H+]2C)cc([N+](=O)[O-])c1C#N ZINC001169659893 928303580 /nfs/dbraw/zinc/30/35/80/928303580.db2.gz JWTSFXSEUHTHCD-GFCCVEGCSA-N 1 2 290.323 1.517 20 30 CDEDLO Cc1cc(NC[C@@H]2COCC[N@@H+]2C)cc([N+](=O)[O-])c1C#N ZINC001169659893 928303595 /nfs/dbraw/zinc/30/35/95/928303595.db2.gz JWTSFXSEUHTHCD-GFCCVEGCSA-N 1 2 290.323 1.517 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169764857 928414492 /nfs/dbraw/zinc/41/44/92/928414492.db2.gz QZYHFPVJMPCALU-JKSUJKDBSA-N 1 2 298.390 1.089 20 30 CDEDLO C=C[C@@H](CO)Nc1cc(C(=O)OC)cc2[nH+]c[nH]c21 ZINC001169783810 928435447 /nfs/dbraw/zinc/43/54/47/928435447.db2.gz DIAKYFQCWVGRNV-VIFPVBQESA-N 1 2 261.281 1.308 20 30 CDEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1CCCC2(C1)OCCO2)C(=O)OCC ZINC001169917877 928520474 /nfs/dbraw/zinc/52/04/74/928520474.db2.gz YAQAEUSGVPCCPP-XJKCOSOUSA-N 1 2 295.379 1.770 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)NC1(C#N)CCSCC1 ZINC001151061004 937266893 /nfs/dbraw/zinc/26/68/93/937266893.db2.gz OFHPCYWJPJDWRT-UHFFFAOYSA-N 1 2 264.354 1.166 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+][C@H]1CCCc2scnc21 ZINC000858404982 928855721 /nfs/dbraw/zinc/85/57/21/928855721.db2.gz ZFJITWJKOHOJMA-JTQLQIEISA-N 1 2 286.422 1.711 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCSCC)CC1 ZINC001112651953 929290590 /nfs/dbraw/zinc/29/05/90/929290590.db2.gz SSALKKWXCNJSAT-UHFFFAOYSA-N 1 2 254.399 1.297 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](OCC)C(C)C)CC1 ZINC001112839204 929485034 /nfs/dbraw/zinc/48/50/34/929485034.db2.gz DFWHZXLXHLKRCQ-AWEZNQCLSA-N 1 2 268.401 1.768 20 30 CDEDLO CC(=NNCC(C)(C)O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000863140809 929511389 /nfs/dbraw/zinc/51/13/89/929511389.db2.gz SGRFDKJCIKABCF-UHFFFAOYSA-N 1 2 272.352 1.957 20 30 CDEDLO C[C@H](C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1)NCC#N ZINC001134731936 929884457 /nfs/dbraw/zinc/88/44/57/929884457.db2.gz ADGHCLPNGDGEOA-GHMZBOCLSA-N 1 2 285.351 1.573 20 30 CDEDLO Cc1nc(NC[C@@H](C2CC2)N(C)C(=O)C#CC2CC2)cc[nH+]1 ZINC001115512103 937387415 /nfs/dbraw/zinc/38/74/15/937387415.db2.gz XKYAWWREWOEAKP-HNNXBMFYSA-N 1 2 298.390 1.847 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC3(CC3)C2)[C@@H](O)C1 ZINC001090559006 931105981 /nfs/dbraw/zinc/10/59/81/931105981.db2.gz HLIYXUBOEZQJKR-STQMWFEESA-N 1 2 298.814 1.481 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC3(CC3)C2)[C@@H](O)C1 ZINC001090559006 931105985 /nfs/dbraw/zinc/10/59/85/931105985.db2.gz HLIYXUBOEZQJKR-STQMWFEESA-N 1 2 298.814 1.481 20 30 CDEDLO COC(=O)c1ccc(C(=[NH2+])Nc2ccnc3nc[nH]c32)cc1 ZINC001170984231 931145255 /nfs/dbraw/zinc/14/52/55/931145255.db2.gz QZHCVRLMOOCLOY-UHFFFAOYSA-N 1 2 295.302 1.782 20 30 CDEDLO C[N@@H+]1CCC12CN(C(=O)c1ccc(C#N)c(Cl)n1)C2 ZINC001274141398 931193200 /nfs/dbraw/zinc/19/32/00/931193200.db2.gz QJYUJVGJSSAYQI-UHFFFAOYSA-N 1 2 276.727 1.137 20 30 CDEDLO C[N@H+]1CCC12CN(C(=O)c1ccc(C#N)c(Cl)n1)C2 ZINC001274141398 931193204 /nfs/dbraw/zinc/19/32/04/931193204.db2.gz QJYUJVGJSSAYQI-UHFFFAOYSA-N 1 2 276.727 1.137 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccco2)[C@H](O)C1 ZINC001090659280 931264633 /nfs/dbraw/zinc/26/46/33/931264633.db2.gz FRKZCJSUKWZJFE-QWHCGFSZSA-N 1 2 298.770 1.126 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccco2)[C@H](O)C1 ZINC001090659280 931264648 /nfs/dbraw/zinc/26/46/48/931264648.db2.gz FRKZCJSUKWZJFE-QWHCGFSZSA-N 1 2 298.770 1.126 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)Cc1c[nH+]cn1C ZINC001412470055 932442679 /nfs/dbraw/zinc/44/26/79/932442679.db2.gz GVKITAUMZQDYCQ-UHFFFAOYSA-N 1 2 270.292 1.482 20 30 CDEDLO CCOC(=O)C[NH+]1CCC(Nc2ccc(C#N)cn2)CC1 ZINC001161081471 932628467 /nfs/dbraw/zinc/62/84/67/932628467.db2.gz BAHNLCXQSMXACJ-UHFFFAOYSA-N 1 2 288.351 1.393 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncn1C)C2 ZINC001095702285 932754829 /nfs/dbraw/zinc/75/48/29/932754829.db2.gz VRBWUNVTZIFDQU-WOPDTQHZSA-N 1 2 294.786 1.508 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncn1C)C2 ZINC001095702285 932754832 /nfs/dbraw/zinc/75/48/32/932754832.db2.gz VRBWUNVTZIFDQU-WOPDTQHZSA-N 1 2 294.786 1.508 20 30 CDEDLO C=C(C)CN(CC)C(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000092915654 934901876 /nfs/dbraw/zinc/90/18/76/934901876.db2.gz IJTGQZXSNORSJJ-UHFFFAOYSA-N 1 2 290.367 1.338 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2ccccn2c1 ZINC001018026904 935658574 /nfs/dbraw/zinc/65/85/74/935658574.db2.gz GNULTIWSUSDEML-CALCHBBNSA-N 1 2 293.370 1.861 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2ccccn2c1 ZINC001018026904 935658576 /nfs/dbraw/zinc/65/85/76/935658576.db2.gz GNULTIWSUSDEML-CALCHBBNSA-N 1 2 293.370 1.861 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC001038640377 935751756 /nfs/dbraw/zinc/75/17/56/935751756.db2.gz IPAGLORVCHLUPI-AWEZNQCLSA-N 1 2 267.332 1.605 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC001038640377 935751757 /nfs/dbraw/zinc/75/17/57/935751757.db2.gz IPAGLORVCHLUPI-AWEZNQCLSA-N 1 2 267.332 1.605 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096462333 936099912 /nfs/dbraw/zinc/09/99/12/936099912.db2.gz DOBWAZHILRTNQP-LBPRGKRZSA-N 1 2 274.368 1.692 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)NC1(C#N)CCSCC1 ZINC001123674039 936199129 /nfs/dbraw/zinc/19/91/29/936199129.db2.gz WMCGNXQCWMTLNV-UHFFFAOYSA-N 1 2 278.381 1.258 20 30 CDEDLO Cc1nc(NC[C@H]2CC[C@@H](NC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001123793036 936223202 /nfs/dbraw/zinc/22/32/02/936223202.db2.gz AJFOLPOKYZQEKU-LSDHHAIUSA-N 1 2 298.390 1.895 20 30 CDEDLO O=C(Nc1ccn2cc[nH+]c2c1)c1cccc(C#CCO)c1 ZINC001156799738 938418819 /nfs/dbraw/zinc/41/88/19/938418819.db2.gz AVNUNXQDVBGFEZ-UHFFFAOYSA-N 1 2 291.310 1.930 20 30 CDEDLO C=CCCCNc1cc(N2CCC[C@H]2C(N)=O)nc[nH+]1 ZINC001159263603 938716347 /nfs/dbraw/zinc/71/63/47/938716347.db2.gz ASMFZPIMWYQKOZ-NSHDSACASA-N 1 2 275.356 1.309 20 30 CDEDLO C=CCCCNc1cc(N2CCC[C@H]2C(N)=O)[nH+]cn1 ZINC001159263603 938716348 /nfs/dbraw/zinc/71/63/48/938716348.db2.gz ASMFZPIMWYQKOZ-NSHDSACASA-N 1 2 275.356 1.309 20 30 CDEDLO N#CCc1cc[nH+]c(NCc2cncc(C(N)=O)c2)c1 ZINC001162320449 939023306 /nfs/dbraw/zinc/02/33/06/939023306.db2.gz INAFJEFGSGZPHT-UHFFFAOYSA-N 1 2 267.292 1.254 20 30 CDEDLO CCNC(=O)CN(C)c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001163914228 939350182 /nfs/dbraw/zinc/35/01/82/939350182.db2.gz ODSWSYXEQVORLO-UHFFFAOYSA-N 1 2 257.297 1.007 20 30 CDEDLO Cc1nc(N2CC[NH2+]CC(F)(F)C2)ccc1CC#N ZINC001164497960 939479619 /nfs/dbraw/zinc/47/96/19/939479619.db2.gz MIPWOUJTZRDPGT-UHFFFAOYSA-N 1 2 266.295 1.501 20 30 CDEDLO Cc1cccc2c1nc(Cl)nc2N1CC[NH2+]C[C@H]1C#N ZINC001164641911 939501548 /nfs/dbraw/zinc/50/15/48/939501548.db2.gz PSZARYMJSUVKJU-SNVBAGLBSA-N 1 2 287.754 1.893 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1c1nccc2c3c([nH]c21)CCC3 ZINC001164661805 939502914 /nfs/dbraw/zinc/50/29/14/939502914.db2.gz OZGGTUUGRHMQCK-SNVBAGLBSA-N 1 2 267.336 1.353 20 30 CDEDLO Cc1cc(C(F)(F)N2CC[NH2+]C[C@H]2C#N)c(Cl)nn1 ZINC001164660453 939503036 /nfs/dbraw/zinc/50/30/36/939503036.db2.gz CZCPBWVWKRJJOH-MRVPVSSYSA-N 1 2 287.701 1.285 20 30 CDEDLO CC(C)(C(=O)N1CCC(CNCC#N)CC1)c1c[nH+]c[nH]1 ZINC001206872782 940105539 /nfs/dbraw/zinc/10/55/39/940105539.db2.gz SXXGXHPWYCTIQI-UHFFFAOYSA-N 1 2 289.383 1.039 20 30 CDEDLO N#Cc1ccccc1OC1C[NH+](Cc2ccc[nH]c2=O)C1 ZINC001207011062 940127349 /nfs/dbraw/zinc/12/73/49/940127349.db2.gz HMRBTUFLZZESIB-UHFFFAOYSA-N 1 2 281.315 1.922 20 30 CDEDLO COC[C@@H]1Cn2ccnc2C[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC001207104662 940149682 /nfs/dbraw/zinc/14/96/82/940149682.db2.gz VICJUQWEXUIJGT-AWEZNQCLSA-N 1 2 299.378 1.372 20 30 CDEDLO COC[C@@H]1Cn2ccnc2C[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC001207104662 940149683 /nfs/dbraw/zinc/14/96/83/940149683.db2.gz VICJUQWEXUIJGT-AWEZNQCLSA-N 1 2 299.378 1.372 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(OC(C)=O)cc2)CC1 ZINC000089945039 940384641 /nfs/dbraw/zinc/38/46/41/940384641.db2.gz KDQLUQWDULPQPW-UHFFFAOYSA-N 1 2 272.348 1.363 20 30 CDEDLO COc1cc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)ccn1 ZINC001209636421 940620778 /nfs/dbraw/zinc/62/07/78/940620778.db2.gz HDUZGCYBQMQBRH-GFCCVEGCSA-N 1 2 276.361 1.864 20 30 CDEDLO COc1cc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)ccn1 ZINC001209636421 940620780 /nfs/dbraw/zinc/62/07/80/940620780.db2.gz HDUZGCYBQMQBRH-GFCCVEGCSA-N 1 2 276.361 1.864 20 30 CDEDLO Cn1cc(Nc2ccccc2C[NH+]2CCOCC2)c(C#N)n1 ZINC001209927296 940652166 /nfs/dbraw/zinc/65/21/66/940652166.db2.gz SJAATEZPZXAVNB-UHFFFAOYSA-N 1 2 297.362 1.868 20 30 CDEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](C[C@H](F)CC)C[C@@H]2O)CCC1 ZINC001219785039 941388483 /nfs/dbraw/zinc/38/84/83/941388483.db2.gz BEQZBJKSIGGZPX-MCIONIFRSA-N 1 2 296.386 1.089 20 30 CDEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](F)CC)C[C@@H]2O)CCC1 ZINC001219785039 941388486 /nfs/dbraw/zinc/38/84/86/941388486.db2.gz BEQZBJKSIGGZPX-MCIONIFRSA-N 1 2 296.386 1.089 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2nc(C3CC3)ccc2C#N)C1 ZINC001226264019 941978576 /nfs/dbraw/zinc/97/85/76/941978576.db2.gz KBTPECKJNCDEQM-ZDUSSCGKSA-N 1 2 273.336 1.540 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2nc(C3CC3)ccc2C#N)C1 ZINC001226264019 941978583 /nfs/dbraw/zinc/97/85/83/941978583.db2.gz KBTPECKJNCDEQM-ZDUSSCGKSA-N 1 2 273.336 1.540 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC001229528067 942488315 /nfs/dbraw/zinc/48/83/15/942488315.db2.gz VIQNGVKCDORHMT-LBPRGKRZSA-N 1 2 277.280 1.176 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC001229528067 942488320 /nfs/dbraw/zinc/48/83/20/942488320.db2.gz VIQNGVKCDORHMT-LBPRGKRZSA-N 1 2 277.280 1.176 20 30 CDEDLO Cc1nocc1C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231249072 942834614 /nfs/dbraw/zinc/83/46/14/942834614.db2.gz YLABUPJKYMIRKG-GXFFZTMASA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1nocc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231249072 942834621 /nfs/dbraw/zinc/83/46/21/942834621.db2.gz YLABUPJKYMIRKG-GXFFZTMASA-N 1 2 276.340 1.175 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC=CC1 ZINC001231342990 942859862 /nfs/dbraw/zinc/85/98/62/942859862.db2.gz RMEWSGHWPOGISG-OAHLLOKOSA-N 1 2 276.380 1.135 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC=CC1 ZINC001231342990 942859866 /nfs/dbraw/zinc/85/98/66/942859866.db2.gz RMEWSGHWPOGISG-OAHLLOKOSA-N 1 2 276.380 1.135 20 30 CDEDLO CC[N@H+](CCC#N)Cc1ccc(O)c(C(=O)OC)c1 ZINC001231419719 942886099 /nfs/dbraw/zinc/88/60/99/942886099.db2.gz PXTTXEJMNNQMGB-UHFFFAOYSA-N 1 2 262.309 1.914 20 30 CDEDLO CC[N@@H+](CCC#N)Cc1ccc(O)c(C(=O)OC)c1 ZINC001231419719 942886104 /nfs/dbraw/zinc/88/61/04/942886104.db2.gz PXTTXEJMNNQMGB-UHFFFAOYSA-N 1 2 262.309 1.914 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cc3ccncc3[nH]2)CC1 ZINC001232092800 943135643 /nfs/dbraw/zinc/13/56/43/943135643.db2.gz RTJPGFFPHBYOGC-UHFFFAOYSA-N 1 2 269.352 1.594 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(C)cc2C#N)CC1 ZINC001232967386 943448222 /nfs/dbraw/zinc/44/82/22/943448222.db2.gz KKNJEIKKIOLQSR-UHFFFAOYSA-N 1 2 253.349 1.618 20 30 CDEDLO N#Cc1ccc(F)c(C(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC001362191281 970997558 /nfs/dbraw/zinc/99/75/58/970997558.db2.gz XTAMYNGORNPRRN-UHFFFAOYSA-N 1 2 270.267 1.591 20 30 CDEDLO CN(C1CC1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2O)C1 ZINC001233387589 943573828 /nfs/dbraw/zinc/57/38/28/943573828.db2.gz OQWZHYYEALWGTH-HNNXBMFYSA-N 1 2 271.364 1.932 20 30 CDEDLO CN(C1CC1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2O)C1 ZINC001233387589 943573834 /nfs/dbraw/zinc/57/38/34/943573834.db2.gz OQWZHYYEALWGTH-HNNXBMFYSA-N 1 2 271.364 1.932 20 30 CDEDLO CC(C)C#CC(=O)N(C)C[C@H]1CCN1Cc1c[nH+]cn1C ZINC001234118160 943746094 /nfs/dbraw/zinc/74/60/94/943746094.db2.gz GCUBHDPGCIXLHN-CQSZACIVSA-N 1 2 288.395 1.112 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@@H]2CN(C)C(=O)C#CC(C)C)on1 ZINC001234118916 943746653 /nfs/dbraw/zinc/74/66/53/943746653.db2.gz MVSDMSYWCCYVEN-CQSZACIVSA-N 1 2 289.379 1.675 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)C#CC(C)C)on1 ZINC001234118916 943746660 /nfs/dbraw/zinc/74/66/60/943746660.db2.gz MVSDMSYWCCYVEN-CQSZACIVSA-N 1 2 289.379 1.675 20 30 CDEDLO CC[C@H](F)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234179925 943767759 /nfs/dbraw/zinc/76/77/59/943767759.db2.gz YOCYZBKBGZYICW-UONOGXRCSA-N 1 2 266.360 1.681 20 30 CDEDLO CC[C@H](F)C[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234179925 943767762 /nfs/dbraw/zinc/76/77/62/943767762.db2.gz YOCYZBKBGZYICW-UONOGXRCSA-N 1 2 266.360 1.681 20 30 CDEDLO C#CCN(C)c1nnc([C@H]2CCCC[N@@H+]2C)n1CCOC ZINC001263215726 943792212 /nfs/dbraw/zinc/79/22/12/943792212.db2.gz GPPSYGWSZLNNPS-CYBMUJFWSA-N 1 2 291.399 1.151 20 30 CDEDLO C#CCN(C)c1nnc([C@H]2CCCC[N@H+]2C)n1CCOC ZINC001263215726 943792218 /nfs/dbraw/zinc/79/22/18/943792218.db2.gz GPPSYGWSZLNNPS-CYBMUJFWSA-N 1 2 291.399 1.151 20 30 CDEDLO C=CCN(C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C)C(C)C ZINC001263778253 943971275 /nfs/dbraw/zinc/97/12/75/943971275.db2.gz HPXVZVULWLAMLK-KBPBESRZSA-N 1 2 282.432 1.227 20 30 CDEDLO C=CCN(C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C)C(C)C ZINC001263778253 943971278 /nfs/dbraw/zinc/97/12/78/943971278.db2.gz HPXVZVULWLAMLK-KBPBESRZSA-N 1 2 282.432 1.227 20 30 CDEDLO CCOC(=O)CN(CCC#N)Cc1c(C)[nH+]cn1C ZINC001235556925 944199454 /nfs/dbraw/zinc/19/94/54/944199454.db2.gz TYVJUFSXTNRAMK-UHFFFAOYSA-N 1 2 264.329 1.007 20 30 CDEDLO N#Cc1cc(Cl)cc(Cl)c1NS(=O)(=O)CC[NH3+] ZINC001237615304 944889585 /nfs/dbraw/zinc/88/95/85/944889585.db2.gz BLWFQZNKSNSJAY-UHFFFAOYSA-N 1 2 294.163 1.565 20 30 CDEDLO COc1ncnc2c1CC[N@@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC001254669281 947583149 /nfs/dbraw/zinc/58/31/49/947583149.db2.gz QHJZLNMDVIUYQK-MNOVXSKESA-N 1 2 258.325 1.536 20 30 CDEDLO COc1ncnc2c1CC[N@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC001254669281 947583153 /nfs/dbraw/zinc/58/31/53/947583153.db2.gz QHJZLNMDVIUYQK-MNOVXSKESA-N 1 2 258.325 1.536 20 30 CDEDLO COC(=O)[C@@H](Cc1cccnc1)[NH2+]C1CCC(C#N)CC1 ZINC001256963913 948465115 /nfs/dbraw/zinc/46/51/15/948465115.db2.gz SDHOLAACQBYIGJ-PESDSKBTSA-N 1 2 287.363 1.838 20 30 CDEDLO C=CCOC[C@@H](O)C[N@@H+]1Cc2cccc(F)c2C1 ZINC001252469132 951315119 /nfs/dbraw/zinc/31/51/19/951315119.db2.gz VPKITRKRDAINMQ-LBPRGKRZSA-N 1 2 251.301 1.705 20 30 CDEDLO C=CCOC[C@@H](O)C[N@H+]1Cc2cccc(F)c2C1 ZINC001252469132 951315130 /nfs/dbraw/zinc/31/51/30/951315130.db2.gz VPKITRKRDAINMQ-LBPRGKRZSA-N 1 2 251.301 1.705 20 30 CDEDLO C=CCOC[C@H](O)C[NH2+][C@H](C(=O)OCC)[C@@H](C)CC ZINC001252488876 951357869 /nfs/dbraw/zinc/35/78/69/951357869.db2.gz VAWVCCLMGYPOFY-XQQFMLRXSA-N 1 2 273.373 1.117 20 30 CDEDLO c1cn2c(cccc2-c2cn(CC[C@@H]3CO3)nn2)[nH+]1 ZINC001254073924 952184484 /nfs/dbraw/zinc/18/44/84/952184484.db2.gz LMRCJPIJCPZCFX-SNVBAGLBSA-N 1 2 255.281 1.382 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1nnc(-c2ccco2)o1 ZINC001324516433 953424413 /nfs/dbraw/zinc/42/44/13/953424413.db2.gz NSLPKOQBJIZQKQ-UHFFFAOYSA-N 1 2 261.281 1.411 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1nnc(-c2ccco2)o1 ZINC001324516433 953424424 /nfs/dbraw/zinc/42/44/24/953424424.db2.gz NSLPKOQBJIZQKQ-UHFFFAOYSA-N 1 2 261.281 1.411 20 30 CDEDLO N#CCOc1cccc(NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001291574467 954103874 /nfs/dbraw/zinc/10/38/74/954103874.db2.gz JANDZFNGLBPMAD-UHFFFAOYSA-N 1 2 256.265 1.493 20 30 CDEDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001364654865 954965236 /nfs/dbraw/zinc/96/52/36/954965236.db2.gz UIOWGXZCVDGWNB-HUUCEWRRSA-N 1 2 287.363 1.048 20 30 CDEDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001364654865 954965248 /nfs/dbraw/zinc/96/52/48/954965248.db2.gz UIOWGXZCVDGWNB-HUUCEWRRSA-N 1 2 287.363 1.048 20 30 CDEDLO CC(C)n1c[nH+]cc1CN=Nc1nncc(N)c1Cl ZINC001328010761 955158261 /nfs/dbraw/zinc/15/82/61/955158261.db2.gz SSCOTNABYIYTHI-UHFFFAOYSA-N 1 2 279.735 1.936 20 30 CDEDLO C[C@H](C(=O)N1CCc2cc(C#N)ccc21)n1cc[nH+]c1 ZINC001329335001 955830162 /nfs/dbraw/zinc/83/01/62/955830162.db2.gz STLPTXOVUBLXRT-LLVKDONJSA-N 1 2 266.304 1.905 20 30 CDEDLO N#Cc1cnn2cc(C[NH2+]Cc3nccs3)cnc12 ZINC001329521796 955967710 /nfs/dbraw/zinc/96/77/10/955967710.db2.gz PRMMHKQWCNJJKC-UHFFFAOYSA-N 1 2 270.321 1.347 20 30 CDEDLO Cc1ccc(NCCNC(=O)c2ccc(C#N)c(O)c2)[nH+]c1 ZINC001303957032 956135197 /nfs/dbraw/zinc/13/51/97/956135197.db2.gz YVSBTZMGFPNBHS-UHFFFAOYSA-N 1 2 296.330 1.809 20 30 CDEDLO C#CCOCC[N@H+](CCc1ccccc1)CC(=O)OCC ZINC001307456395 956409111 /nfs/dbraw/zinc/40/91/11/956409111.db2.gz KSEUZGYDVAHUOK-UHFFFAOYSA-N 1 2 289.375 1.744 20 30 CDEDLO C#CCOCC[N@@H+](CCc1ccccc1)CC(=O)OCC ZINC001307456395 956409116 /nfs/dbraw/zinc/40/91/16/956409116.db2.gz KSEUZGYDVAHUOK-UHFFFAOYSA-N 1 2 289.375 1.744 20 30 CDEDLO C[C@H](C#N)C(=O)NC1C[NH+](CCc2ccc3c(c2)CCO3)C1 ZINC001494361007 972217875 /nfs/dbraw/zinc/21/78/75/972217875.db2.gz IPBLMBWQDQJQTA-GFCCVEGCSA-N 1 2 299.374 1.124 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2nn(C)c3ccccc23)CC1 ZINC001313445472 956865234 /nfs/dbraw/zinc/86/52/34/956865234.db2.gz WITCLBXVOUPBOF-UHFFFAOYSA-N 1 2 298.390 1.446 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001313445838 956865687 /nfs/dbraw/zinc/86/56/87/956865687.db2.gz NFCJGPJLGTXSKU-UHFFFAOYSA-N 1 2 284.363 1.897 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](CC#N)C1 ZINC001329194938 956953189 /nfs/dbraw/zinc/95/31/89/956953189.db2.gz JBERSQPETAUQTI-VXGBXAGGSA-N 1 2 260.341 1.741 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](CC#N)C1 ZINC001329194938 956953203 /nfs/dbraw/zinc/95/32/03/956953203.db2.gz JBERSQPETAUQTI-VXGBXAGGSA-N 1 2 260.341 1.741 20 30 CDEDLO C=C(C)CN(C)C(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001331372831 956999213 /nfs/dbraw/zinc/99/92/13/956999213.db2.gz BXJXJTKNSCNLIE-UHFFFAOYSA-N 1 2 290.367 1.150 20 30 CDEDLO C=C(C)Cn1nnnc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001333673305 958499233 /nfs/dbraw/zinc/49/92/33/958499233.db2.gz DVKDTIWBGJMJMX-CYBMUJFWSA-N 1 2 286.339 1.302 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1nccn1-c1ccccc1 ZINC001322041231 960062416 /nfs/dbraw/zinc/06/24/16/960062416.db2.gz TYDARWAKTAFUBZ-UHFFFAOYSA-N 1 2 269.348 1.954 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1nccn1-c1ccccc1 ZINC001322041231 960062427 /nfs/dbraw/zinc/06/24/27/960062427.db2.gz TYDARWAKTAFUBZ-UHFFFAOYSA-N 1 2 269.348 1.954 20 30 CDEDLO C[N@H+](C[C@H](O)c1cccc(C#N)c1)[C@@H]1CC(C)(C)OC1=O ZINC001434470711 961467288 /nfs/dbraw/zinc/46/72/88/961467288.db2.gz AGIRUJLAYAMYSX-KGLIPLIRSA-N 1 2 288.347 1.618 20 30 CDEDLO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)[C@@H]1CC(C)(C)OC1=O ZINC001434470711 961467299 /nfs/dbraw/zinc/46/72/99/961467299.db2.gz AGIRUJLAYAMYSX-KGLIPLIRSA-N 1 2 288.347 1.618 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cn(C)nc1CC ZINC001419973567 962315359 /nfs/dbraw/zinc/31/53/59/962315359.db2.gz ULRQZTCAESHQCA-UHFFFAOYSA-N 1 2 298.818 1.739 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cn(C)nc1CC ZINC001419973567 962315377 /nfs/dbraw/zinc/31/53/77/962315377.db2.gz ULRQZTCAESHQCA-UHFFFAOYSA-N 1 2 298.818 1.739 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)C1CC[NH+](Cc2nccn2C)CC1 ZINC001436660816 962328474 /nfs/dbraw/zinc/32/84/74/962328474.db2.gz ALPKFCVGGOYURD-LBPRGKRZSA-N 1 2 289.383 1.003 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cccc(=O)n1C ZINC001420421603 962890081 /nfs/dbraw/zinc/89/00/81/962890081.db2.gz JUZNNXQGWKVQPD-UHFFFAOYSA-N 1 2 297.786 1.190 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cccc(=O)n1C ZINC001420421603 962890088 /nfs/dbraw/zinc/89/00/88/962890088.db2.gz JUZNNXQGWKVQPD-UHFFFAOYSA-N 1 2 297.786 1.190 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccnc(OC)c1 ZINC001437483880 962950653 /nfs/dbraw/zinc/95/06/53/962950653.db2.gz VJVBYUXAWNWHPA-UHFFFAOYSA-N 1 2 283.759 1.504 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccnc(OC)c1 ZINC001437483880 962950661 /nfs/dbraw/zinc/95/06/61/962950661.db2.gz VJVBYUXAWNWHPA-UHFFFAOYSA-N 1 2 283.759 1.504 20 30 CDEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H]1C ZINC001340592939 963022160 /nfs/dbraw/zinc/02/21/60/963022160.db2.gz FNEUCPKNIKMXIG-GFCCVEGCSA-N 1 2 286.383 1.777 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ocnc1C ZINC001420552565 963051202 /nfs/dbraw/zinc/05/12/02/963051202.db2.gz NNJQWANBNVUAKW-SECBINFHSA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ocnc1C ZINC001420552565 963051217 /nfs/dbraw/zinc/05/12/17/963051217.db2.gz NNJQWANBNVUAKW-SECBINFHSA-N 1 2 271.748 1.786 20 30 CDEDLO C=CCN(C)c1nnc(C[NH+]2CCCCC2)n1CCOC ZINC001341236010 963328461 /nfs/dbraw/zinc/32/84/61/963328461.db2.gz MDLBEBBUCYZLMQ-UHFFFAOYSA-N 1 2 293.415 1.533 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCc1nccn1C ZINC001438893858 963589383 /nfs/dbraw/zinc/58/93/83/963589383.db2.gz LIVWPYJVIBUCPX-UHFFFAOYSA-N 1 2 298.818 1.495 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCc1nccn1C ZINC001438893858 963589388 /nfs/dbraw/zinc/58/93/88/963589388.db2.gz LIVWPYJVIBUCPX-UHFFFAOYSA-N 1 2 298.818 1.495 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cnn(C)c1CC ZINC001439342483 963729981 /nfs/dbraw/zinc/72/99/81/963729981.db2.gz DJOHVDKYNWBXLW-NSHDSACASA-N 1 2 298.818 1.785 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cnn(C)c1CC ZINC001439342483 963729985 /nfs/dbraw/zinc/72/99/85/963729985.db2.gz DJOHVDKYNWBXLW-NSHDSACASA-N 1 2 298.818 1.785 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1cncn1C ZINC001442753706 965199479 /nfs/dbraw/zinc/19/94/79/965199479.db2.gz UMRLASVHZFIMHR-UHFFFAOYSA-N 1 2 284.791 1.153 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1cncn1C ZINC001442753706 965199483 /nfs/dbraw/zinc/19/94/83/965199483.db2.gz UMRLASVHZFIMHR-UHFFFAOYSA-N 1 2 284.791 1.153 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1coc(C)n1 ZINC001445712949 966301120 /nfs/dbraw/zinc/30/11/20/966301120.db2.gz SIAKYBDGBNCSGO-SECBINFHSA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1coc(C)n1 ZINC001445712949 966301131 /nfs/dbraw/zinc/30/11/31/966301131.db2.gz SIAKYBDGBNCSGO-SECBINFHSA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1cc[nH]n1 ZINC001445712428 966302198 /nfs/dbraw/zinc/30/21/98/966302198.db2.gz YTJMCEIKOKFHSR-JTQLQIEISA-N 1 2 270.764 1.141 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1cc[nH]n1 ZINC001445712428 966302206 /nfs/dbraw/zinc/30/22/06/966302206.db2.gz YTJMCEIKOKFHSR-JTQLQIEISA-N 1 2 270.764 1.141 20 30 CDEDLO CCc1[nH]c(CNC(=O)c2cnccc2C#N)c[nH+]1 ZINC001456145407 968876395 /nfs/dbraw/zinc/87/63/95/968876395.db2.gz UILMZCYTGOCJTF-UHFFFAOYSA-N 1 2 255.281 1.169 20 30 CDEDLO CCc1[nH]cc(CNC(=O)c2cnccc2C#N)[nH+]1 ZINC001456145407 968876407 /nfs/dbraw/zinc/87/64/07/968876407.db2.gz UILMZCYTGOCJTF-UHFFFAOYSA-N 1 2 255.281 1.169 20 30 CDEDLO C=C(C)CCC(=O)O[C@@H](COC)C[N@@H+]1CCO[C@@H](C)C1 ZINC001519117043 970064575 /nfs/dbraw/zinc/06/45/75/970064575.db2.gz OFKSKLGPYRMCQZ-UONOGXRCSA-N 1 2 285.384 1.622 20 30 CDEDLO C=C(C)CCC(=O)O[C@@H](COC)C[N@H+]1CCO[C@@H](C)C1 ZINC001519117043 970064580 /nfs/dbraw/zinc/06/45/80/970064580.db2.gz OFKSKLGPYRMCQZ-UONOGXRCSA-N 1 2 285.384 1.622 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cncnc1CC ZINC001498456741 973929490 /nfs/dbraw/zinc/92/94/90/973929490.db2.gz KSJUWJHMDQBAJM-LLVKDONJSA-N 1 2 296.802 1.842 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cncnc1CC ZINC001498456741 973929498 /nfs/dbraw/zinc/92/94/98/973929498.db2.gz KSJUWJHMDQBAJM-LLVKDONJSA-N 1 2 296.802 1.842 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1snnc1C ZINC001377470362 975038858 /nfs/dbraw/zinc/03/88/58/975038858.db2.gz AKUNPKFUUVQCIX-SNVBAGLBSA-N 1 2 295.412 1.334 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1snnc1C ZINC001377470362 975038862 /nfs/dbraw/zinc/03/88/62/975038862.db2.gz AKUNPKFUUVQCIX-SNVBAGLBSA-N 1 2 295.412 1.334 20 30 CDEDLO C=C(Cl)CN1CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001406840710 976434149 /nfs/dbraw/zinc/43/41/49/976434149.db2.gz LECXZLRMJIJPIZ-LBPRGKRZSA-N 1 2 282.775 1.216 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C1(COC)CCC1 ZINC001390798277 976517776 /nfs/dbraw/zinc/51/77/76/976517776.db2.gz SEAIEYGPGYNTCC-UHFFFAOYSA-N 1 2 274.792 1.604 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C1(COC)CCC1 ZINC001390798277 976517785 /nfs/dbraw/zinc/51/77/85/976517785.db2.gz SEAIEYGPGYNTCC-UHFFFAOYSA-N 1 2 274.792 1.604 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH]cn1 ZINC001391064452 976672006 /nfs/dbraw/zinc/67/20/06/976672006.db2.gz DEFIBBDMIIPMEX-GFCCVEGCSA-N 1 2 282.775 1.285 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH]cn1 ZINC001391064452 976672009 /nfs/dbraw/zinc/67/20/09/976672009.db2.gz DEFIBBDMIIPMEX-GFCCVEGCSA-N 1 2 282.775 1.285 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCOC(C)C ZINC001394043168 978023246 /nfs/dbraw/zinc/02/32/46/978023246.db2.gz IJCHPHVPBHNHMY-LBPRGKRZSA-N 1 2 276.808 1.991 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCOC(C)C ZINC001394043168 978023250 /nfs/dbraw/zinc/02/32/50/978023250.db2.gz IJCHPHVPBHNHMY-LBPRGKRZSA-N 1 2 276.808 1.991 20 30 CDEDLO CC#CCCCC(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001132591400 1163392664 /nfs/dbraw/zinc/39/26/64/1163392664.db2.gz NFRNWOLNJFJPCV-ZDUSSCGKSA-N 1 2 277.368 1.943 20 30 CDEDLO C=CCC1(C(=O)NC[C@H](C)C[NH2+]Cc2cn[nH]n2)CCC1 ZINC001575085599 1171108655 /nfs/dbraw/zinc/10/86/55/1171108655.db2.gz OFSSIHKQOXOCLY-GFCCVEGCSA-N 1 2 291.399 1.393 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC2(CCOCC2)CC1 ZINC000585755850 342454920 /nfs/dbraw/zinc/45/49/20/342454920.db2.gz JKGYZLJLDBGVDV-GFCCVEGCSA-N 1 2 253.342 1.607 20 30 CDEDLO Cc1cc[nH+]c(C)c1NC(=O)NC1CCN(CC#N)CC1 ZINC000588301818 342496111 /nfs/dbraw/zinc/49/61/11/342496111.db2.gz VNFSXECCRXEVFZ-UHFFFAOYSA-N 1 2 287.367 1.808 20 30 CDEDLO CCc1nc(C)c(C[NH+]2CCN(CCC#N)CC2)o1 ZINC000589988685 342518780 /nfs/dbraw/zinc/51/87/80/342518780.db2.gz YVOIGLDNIPLOCL-UHFFFAOYSA-N 1 2 262.357 1.577 20 30 CDEDLO C[N@H+](Cc1nnc2ccccn21)[C@@H]1CC[C@@H](C#N)C1 ZINC000590161282 342523685 /nfs/dbraw/zinc/52/36/85/342523685.db2.gz SNDCPPSYRDBCBM-VXGBXAGGSA-N 1 2 255.325 1.853 20 30 CDEDLO C[N@@H+](Cc1nnc2ccccn21)[C@@H]1CC[C@@H](C#N)C1 ZINC000590161282 342523686 /nfs/dbraw/zinc/52/36/86/342523686.db2.gz SNDCPPSYRDBCBM-VXGBXAGGSA-N 1 2 255.325 1.853 20 30 CDEDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)CC1(C#N)CC1 ZINC000601427905 342561801 /nfs/dbraw/zinc/56/18/01/342561801.db2.gz GWAIWALLCIATGF-JTQLQIEISA-N 1 2 282.369 1.187 20 30 CDEDLO Cc1cc(C[NH+]2CCN([C@H]3CCOC3)CC2)ccc1C#N ZINC000618751944 349522484 /nfs/dbraw/zinc/52/24/84/349522484.db2.gz DGZLODBYDDBVMX-KRWDZBQOSA-N 1 2 285.391 1.773 20 30 CDEDLO N#Cc1cc(CN2CCc3[nH+]c[nH]c3C2)ccc1F ZINC000590598828 342579630 /nfs/dbraw/zinc/57/96/30/342579630.db2.gz BYYGWCQBMJTJSS-UHFFFAOYSA-N 1 2 256.284 1.979 20 30 CDEDLO C[C@H]1C[N@H+](CCNc2cccc(C#N)c2[N+](=O)[O-])CCO1 ZINC000590688589 342583113 /nfs/dbraw/zinc/58/31/13/342583113.db2.gz WRNGPQXHPBEGOQ-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@H]1C[N@@H+](CCNc2cccc(C#N)c2[N+](=O)[O-])CCO1 ZINC000590688589 342583114 /nfs/dbraw/zinc/58/31/14/342583114.db2.gz WRNGPQXHPBEGOQ-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000590630934 342580487 /nfs/dbraw/zinc/58/04/87/342580487.db2.gz NLZSZUISCUWKJE-XJKSGUPXSA-N 1 2 291.395 1.297 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000590630934 342580488 /nfs/dbraw/zinc/58/04/88/342580488.db2.gz NLZSZUISCUWKJE-XJKSGUPXSA-N 1 2 291.395 1.297 20 30 CDEDLO CCc1ncc(C[NH+]2CCN(CCC#N)CC2)s1 ZINC000609260146 342099321 /nfs/dbraw/zinc/09/93/21/342099321.db2.gz DHEHSHJQMFFCBI-UHFFFAOYSA-N 1 2 264.398 1.737 20 30 CDEDLO O=C(CCCn1cc[nH+]c1)NCC#Cc1ccccc1 ZINC000591119482 342618911 /nfs/dbraw/zinc/61/89/11/342618911.db2.gz CBHGCWPZEHSZPI-UHFFFAOYSA-N 1 2 267.332 1.831 20 30 CDEDLO C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592152161 342669035 /nfs/dbraw/zinc/66/90/35/342669035.db2.gz VFFHWPLQUBHFLE-XJKSGUPXSA-N 1 2 297.362 1.679 20 30 CDEDLO C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592152161 342669036 /nfs/dbraw/zinc/66/90/36/342669036.db2.gz VFFHWPLQUBHFLE-XJKSGUPXSA-N 1 2 297.362 1.679 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc2c(s1)CCOC2 ZINC000593154335 342774148 /nfs/dbraw/zinc/77/41/48/342774148.db2.gz GNIXTZHWOWQZGO-CQSZACIVSA-N 1 2 293.392 1.394 20 30 CDEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000593968176 342858510 /nfs/dbraw/zinc/85/85/10/342858510.db2.gz IOSFUVVVKLGOAW-MRXNPFEDSA-N 1 2 283.379 1.619 20 30 CDEDLO CC1(C)CCC[N@H+](C[C@@H]2CCNC(=O)CC2)[C@@H]1C#N ZINC000336274746 539063854 /nfs/dbraw/zinc/06/38/54/539063854.db2.gz IGKXILGAYVWUQS-QWHCGFSZSA-N 1 2 263.385 1.917 20 30 CDEDLO CC1(C)CCC[N@@H+](C[C@@H]2CCNC(=O)CC2)[C@@H]1C#N ZINC000336274746 539063855 /nfs/dbraw/zinc/06/38/55/539063855.db2.gz IGKXILGAYVWUQS-QWHCGFSZSA-N 1 2 263.385 1.917 20 30 CDEDLO N#Cc1ccc(-n2cc(CC[NH+]3CCOCC3)nn2)cc1 ZINC000594651334 342933098 /nfs/dbraw/zinc/93/30/98/342933098.db2.gz IGVVMXYERVLHLD-UHFFFAOYSA-N 1 2 283.335 1.014 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCSCC1 ZINC000047987543 342281116 /nfs/dbraw/zinc/28/11/16/342281116.db2.gz NKVAJUFNGYODEV-GFCCVEGCSA-N 1 2 255.387 1.090 20 30 CDEDLO CC(C)[N@@H+]1CCO[C@H](c2noc([C@@H](C)CC#N)n2)C1 ZINC000594733902 342949711 /nfs/dbraw/zinc/94/97/11/342949711.db2.gz JSBFVZUMUKZYPV-QWRGUYRKSA-N 1 2 264.329 1.868 20 30 CDEDLO CC(C)[N@H+]1CCO[C@H](c2noc([C@@H](C)CC#N)n2)C1 ZINC000594733902 342949713 /nfs/dbraw/zinc/94/97/13/342949713.db2.gz JSBFVZUMUKZYPV-QWRGUYRKSA-N 1 2 264.329 1.868 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCc2c(O)cccc2C1 ZINC000626025816 342290534 /nfs/dbraw/zinc/29/05/34/342290534.db2.gz MTLXNEDPASGQGZ-NSHDSACASA-N 1 2 260.337 1.441 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCc2c(O)cccc2C1 ZINC000626025816 342290535 /nfs/dbraw/zinc/29/05/35/342290535.db2.gz MTLXNEDPASGQGZ-NSHDSACASA-N 1 2 260.337 1.441 20 30 CDEDLO Cc1nocc1C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000595397508 343048043 /nfs/dbraw/zinc/04/80/43/343048043.db2.gz KCWQTZHNARGJOP-AWEZNQCLSA-N 1 2 262.357 1.649 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000595618191 343110566 /nfs/dbraw/zinc/11/05/66/343110566.db2.gz YQBLAADOIHKKHH-NSHDSACASA-N 1 2 288.376 1.882 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000595618191 343110569 /nfs/dbraw/zinc/11/05/69/343110569.db2.gz YQBLAADOIHKKHH-NSHDSACASA-N 1 2 288.376 1.882 20 30 CDEDLO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595619724 343111285 /nfs/dbraw/zinc/11/12/85/343111285.db2.gz GBJRQGGWCUMIOP-LLVKDONJSA-N 1 2 260.341 1.870 20 30 CDEDLO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595619724 343111287 /nfs/dbraw/zinc/11/12/87/343111287.db2.gz GBJRQGGWCUMIOP-LLVKDONJSA-N 1 2 260.341 1.870 20 30 CDEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000081039937 342363518 /nfs/dbraw/zinc/36/35/18/342363518.db2.gz MHMWAJSWCXOZRF-OCCSQVGLSA-N 1 2 264.373 1.665 20 30 CDEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000081039937 342363519 /nfs/dbraw/zinc/36/35/19/342363519.db2.gz MHMWAJSWCXOZRF-OCCSQVGLSA-N 1 2 264.373 1.665 20 30 CDEDLO N#Cc1nc(N[C@@H]2CC[N@H+](CC3CC3)C2)sc1Cl ZINC000596119274 343232574 /nfs/dbraw/zinc/23/25/74/343232574.db2.gz MLDWJOYQMGDUEY-SECBINFHSA-N 1 2 282.800 1.986 20 30 CDEDLO N#Cc1nc(N[C@@H]2CC[N@@H+](CC3CC3)C2)sc1Cl ZINC000596119274 343232575 /nfs/dbraw/zinc/23/25/75/343232575.db2.gz MLDWJOYQMGDUEY-SECBINFHSA-N 1 2 282.800 1.986 20 30 CDEDLO C[C@H](c1cccnc1)[NH+]1CCN(c2c(C#N)cnn2C)CC1 ZINC000596128688 343238251 /nfs/dbraw/zinc/23/82/51/343238251.db2.gz JMLKOEHVBPSXGB-CYBMUJFWSA-N 1 2 296.378 1.570 20 30 CDEDLO Cc1nc(N2CCC[C@@H](CC#N)C2)nc(N(C)C)[nH+]1 ZINC000596328545 343304256 /nfs/dbraw/zinc/30/42/56/343304256.db2.gz HETOBJZPFXZMSQ-NSHDSACASA-N 1 2 260.345 1.376 20 30 CDEDLO Cc1nc(N(C)C)nc(N2CCC[C@@H](CC#N)C2)[nH+]1 ZINC000596328545 343304257 /nfs/dbraw/zinc/30/42/57/343304257.db2.gz HETOBJZPFXZMSQ-NSHDSACASA-N 1 2 260.345 1.376 20 30 CDEDLO C[C@@H](C[NH+]1CCN(C)CC1)Nc1cnccc1C#N ZINC000094156683 342430180 /nfs/dbraw/zinc/43/01/80/342430180.db2.gz JJAQGVKXTYAJNS-LBPRGKRZSA-N 1 2 259.357 1.001 20 30 CDEDLO CCn1cc[nH+]c1CNc1ncc([N+](=O)[O-])cc1C#N ZINC000295012778 199300113 /nfs/dbraw/zinc/30/01/13/199300113.db2.gz PNDOPOYPLDZHHK-UHFFFAOYSA-N 1 2 272.268 1.690 20 30 CDEDLO CC[C@@H](C#N)C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000597622367 343580389 /nfs/dbraw/zinc/58/03/89/343580389.db2.gz WDMVCWLKTKMWKQ-NSHDSACASA-N 1 2 291.355 1.221 20 30 CDEDLO C=C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C(=O)OC ZINC000619702952 349859010 /nfs/dbraw/zinc/85/90/10/349859010.db2.gz CCXPGLUVANGIKT-NNYUYHANSA-N 1 2 251.326 1.261 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(OCC2CC2)CC1 ZINC000619718144 349868521 /nfs/dbraw/zinc/86/85/21/349868521.db2.gz BUOQPAYXKWRFEZ-ZDUSSCGKSA-N 1 2 253.342 1.605 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(OCCCOC)CC1 ZINC000619718729 349868851 /nfs/dbraw/zinc/86/88/51/349868851.db2.gz YTRXWICTQXDRKQ-ZDUSSCGKSA-N 1 2 271.357 1.232 20 30 CDEDLO C[C@@H]1C[N@H+](C[C@H](O)CC(C)(C)C#N)C[C@@H](C(F)(F)F)O1 ZINC000598596098 343840352 /nfs/dbraw/zinc/84/03/52/343840352.db2.gz QQIOXSCRAFRKHU-MXWKQRLJSA-N 1 2 294.317 1.939 20 30 CDEDLO C[C@@H]1C[N@@H+](C[C@H](O)CC(C)(C)C#N)C[C@@H](C(F)(F)F)O1 ZINC000598596098 343840354 /nfs/dbraw/zinc/84/03/54/343840354.db2.gz QQIOXSCRAFRKHU-MXWKQRLJSA-N 1 2 294.317 1.939 20 30 CDEDLO Cc1cc(C[N@@H+]2CCc3cnc(N)nc3C2)ccc1C#N ZINC000598950167 343933563 /nfs/dbraw/zinc/93/35/63/343933563.db2.gz PVPJJQBQBDQOJT-UHFFFAOYSA-N 1 2 279.347 1.628 20 30 CDEDLO Cc1cc(C[N@H+]2CCc3cnc(N)nc3C2)ccc1C#N ZINC000598950167 343933564 /nfs/dbraw/zinc/93/35/64/343933564.db2.gz PVPJJQBQBDQOJT-UHFFFAOYSA-N 1 2 279.347 1.628 20 30 CDEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@H+](CCC(C)(C)C#N)C1 ZINC000599587902 344093992 /nfs/dbraw/zinc/09/39/92/344093992.db2.gz IAKVDKNKCAQFHB-VXGBXAGGSA-N 1 2 296.367 1.353 20 30 CDEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@@H+](CCC(C)(C)C#N)C1 ZINC000599587902 344093993 /nfs/dbraw/zinc/09/39/93/344093993.db2.gz IAKVDKNKCAQFHB-VXGBXAGGSA-N 1 2 296.367 1.353 20 30 CDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1c[nH+]cn1C ZINC000290949495 344283518 /nfs/dbraw/zinc/28/35/18/344283518.db2.gz BANSKWVMLWPYGO-NSHDSACASA-N 1 2 284.319 1.375 20 30 CDEDLO CS(=O)(=O)c1ccc(C[NH2+]CC2(C#N)CC2)cc1 ZINC000259032432 344430140 /nfs/dbraw/zinc/43/01/40/344430140.db2.gz ZQUZNOWMYYRGGW-UHFFFAOYSA-N 1 2 264.350 1.483 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000602861695 344617023 /nfs/dbraw/zinc/61/70/23/344617023.db2.gz HRHIVAGSPYLCDA-LLVKDONJSA-N 1 2 289.335 1.678 20 30 CDEDLO C=CC[N@@H+](CCC#N)CCC(=O)NCc1cnc(C)s1 ZINC000602838134 344620263 /nfs/dbraw/zinc/62/02/63/344620263.db2.gz RGYGAKBHBTVVIO-UHFFFAOYSA-N 1 2 292.408 1.860 20 30 CDEDLO C=CC[N@H+](CCC#N)CCC(=O)NCc1cnc(C)s1 ZINC000602838134 344620265 /nfs/dbraw/zinc/62/02/65/344620265.db2.gz RGYGAKBHBTVVIO-UHFFFAOYSA-N 1 2 292.408 1.860 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(C)Cc1ccccc1F ZINC000602864161 344637634 /nfs/dbraw/zinc/63/76/34/344637634.db2.gz QDTVUJGIOYWEHA-NSHDSACASA-N 1 2 263.316 1.676 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C)C1CCC(C)CC1 ZINC000602864111 344637907 /nfs/dbraw/zinc/63/79/07/344637907.db2.gz QDGSEOFZNWUKDQ-OTTFEQOBSA-N 1 2 251.374 1.915 20 30 CDEDLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167733 347065869 /nfs/dbraw/zinc/06/58/69/347065869.db2.gz WBXNPHWATLDFFR-SCRDCRAPSA-N 1 2 251.374 1.915 20 30 CDEDLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167733 347065873 /nfs/dbraw/zinc/06/58/73/347065873.db2.gz WBXNPHWATLDFFR-SCRDCRAPSA-N 1 2 251.374 1.915 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(C#N)cc2OC)nn1 ZINC000603241068 344757925 /nfs/dbraw/zinc/75/79/25/344757925.db2.gz PRTFLHHENITXOG-UHFFFAOYSA-N 1 2 295.346 1.320 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447848281 362529758 /nfs/dbraw/zinc/52/97/58/362529758.db2.gz LFIWTZCLXAUVAA-NWDGAFQWSA-N 1 2 254.374 1.424 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447848281 362529761 /nfs/dbraw/zinc/52/97/61/362529761.db2.gz LFIWTZCLXAUVAA-NWDGAFQWSA-N 1 2 254.374 1.424 20 30 CDEDLO C[N@@H+]1CCOC[C@H]1CNc1ncc(C#N)c2ccsc21 ZINC000601203085 349926863 /nfs/dbraw/zinc/92/68/63/349926863.db2.gz NZVZWMZHDXBCGF-LLVKDONJSA-N 1 2 288.376 1.332 20 30 CDEDLO C[N@H+]1CCOC[C@H]1CNc1ncc(C#N)c2ccsc21 ZINC000601203085 349926864 /nfs/dbraw/zinc/92/68/64/349926864.db2.gz NZVZWMZHDXBCGF-LLVKDONJSA-N 1 2 288.376 1.332 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000120579984 362584186 /nfs/dbraw/zinc/58/41/86/362584186.db2.gz FSCXGIGQOCZRLE-CYBMUJFWSA-N 1 2 273.336 1.407 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000120579984 362584189 /nfs/dbraw/zinc/58/41/89/362584189.db2.gz FSCXGIGQOCZRLE-CYBMUJFWSA-N 1 2 273.336 1.407 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054345496 345610110 /nfs/dbraw/zinc/61/01/10/345610110.db2.gz CKVZHVDRJNUETF-KBPBESRZSA-N 1 2 266.385 1.664 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054345496 345610114 /nfs/dbraw/zinc/61/01/14/345610114.db2.gz CKVZHVDRJNUETF-KBPBESRZSA-N 1 2 266.385 1.664 20 30 CDEDLO C=CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@@H](C)COC ZINC000617581054 345865890 /nfs/dbraw/zinc/86/58/90/345865890.db2.gz JZCSSZWAUBEGLX-STQMWFEESA-N 1 2 277.368 1.495 20 30 CDEDLO C=CC[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C1 ZINC000617783616 345970859 /nfs/dbraw/zinc/97/08/59/345970859.db2.gz CTGWVFVQNNTCBB-LSDHHAIUSA-N 1 2 279.428 1.437 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC(C)(C)OCC1(C)C ZINC000609672050 345988665 /nfs/dbraw/zinc/98/86/65/345988665.db2.gz VNZMOSZIAZSWEH-ZDUSSCGKSA-N 1 2 295.427 1.884 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC(C)(C)OCC1(C)C ZINC000609672050 345988667 /nfs/dbraw/zinc/98/86/67/345988667.db2.gz VNZMOSZIAZSWEH-ZDUSSCGKSA-N 1 2 295.427 1.884 20 30 CDEDLO CC[N@H+](CC(=O)N(C)C)Cc1cccc(C#N)c1F ZINC000223520962 346051244 /nfs/dbraw/zinc/05/12/44/346051244.db2.gz ZEPCPYCAQGXCRG-UHFFFAOYSA-N 1 2 263.316 1.607 20 30 CDEDLO CC[N@@H+](CC(=O)N(C)C)Cc1cccc(C#N)c1F ZINC000223520962 346051246 /nfs/dbraw/zinc/05/12/46/346051246.db2.gz ZEPCPYCAQGXCRG-UHFFFAOYSA-N 1 2 263.316 1.607 20 30 CDEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H]2CCN(C(C)C)C2=O)CC1 ZINC000610481139 346290265 /nfs/dbraw/zinc/29/02/65/346290265.db2.gz KFDURIAOMJDYRF-CABCVRRESA-N 1 2 292.427 1.161 20 30 CDEDLO CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000610659889 346335537 /nfs/dbraw/zinc/33/55/37/346335537.db2.gz ZJMROOHCXGMQOO-LLVKDONJSA-N 1 2 284.323 1.330 20 30 CDEDLO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)CC#N)C1=O ZINC000610681684 346356964 /nfs/dbraw/zinc/35/69/64/346356964.db2.gz DZBIDCDMDDMMHT-RYUDHWBXSA-N 1 2 273.336 1.692 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(F)c(F)c1 ZINC000584814997 346440211 /nfs/dbraw/zinc/44/02/11/346440211.db2.gz RMQDAKIXLRXIAS-CYBMUJFWSA-N 1 2 267.279 1.538 20 30 CDEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3c[nH]nc3C2)cc1 ZINC000611008979 346574669 /nfs/dbraw/zinc/57/46/69/346574669.db2.gz PGEATIALCROFSX-CQSZACIVSA-N 1 2 298.346 1.079 20 30 CDEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCc3c[nH]nc3C2)cc1 ZINC000611008979 346574671 /nfs/dbraw/zinc/57/46/71/346574671.db2.gz PGEATIALCROFSX-CQSZACIVSA-N 1 2 298.346 1.079 20 30 CDEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3cn[nH]c3C2)cc1 ZINC000611008979 346574674 /nfs/dbraw/zinc/57/46/74/346574674.db2.gz PGEATIALCROFSX-CQSZACIVSA-N 1 2 298.346 1.079 20 30 CDEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCc3cn[nH]c3C2)cc1 ZINC000611008979 346574676 /nfs/dbraw/zinc/57/46/76/346574676.db2.gz PGEATIALCROFSX-CQSZACIVSA-N 1 2 298.346 1.079 20 30 CDEDLO CC(C)C[C@H](C#N)NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000611012045 346576563 /nfs/dbraw/zinc/57/65/63/346576563.db2.gz LOOQLINRWIZTSK-VXGBXAGGSA-N 1 2 269.414 1.478 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+](C)Cc1cn[nH]c1 ZINC000610989143 346566720 /nfs/dbraw/zinc/56/67/20/346566720.db2.gz JLDYJTHVLOXWOS-UHFFFAOYSA-N 1 2 256.309 1.922 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000610989143 346566721 /nfs/dbraw/zinc/56/67/21/346566721.db2.gz JLDYJTHVLOXWOS-UHFFFAOYSA-N 1 2 256.309 1.922 20 30 CDEDLO N#Cc1cc(C[NH+]2CCN(c3ccc(O)cc3)CC2)ccn1 ZINC000610991804 346568240 /nfs/dbraw/zinc/56/82/40/346568240.db2.gz ZODHLXFHIKLZCP-UHFFFAOYSA-N 1 2 294.358 1.981 20 30 CDEDLO Cn1c[nH+]c2c1CCN(Cc1ccnc(C#N)c1)C2 ZINC000610992825 346568711 /nfs/dbraw/zinc/56/87/11/346568711.db2.gz MOXDRZGDQWBBES-UHFFFAOYSA-N 1 2 253.309 1.245 20 30 CDEDLO CCc1nnc2n1CC[N@@H+](Cc1ccnc(C#N)c1)C2 ZINC000610992789 346569338 /nfs/dbraw/zinc/56/93/38/346569338.db2.gz JITOHDQQONAIBS-UHFFFAOYSA-N 1 2 268.324 1.123 20 30 CDEDLO CCc1nnc2n1CC[N@H+](Cc1ccnc(C#N)c1)C2 ZINC000610992789 346569341 /nfs/dbraw/zinc/56/93/41/346569341.db2.gz JITOHDQQONAIBS-UHFFFAOYSA-N 1 2 268.324 1.123 20 30 CDEDLO Cn1cc(C[N@H+](C)CCOc2cccc(C#N)c2)nn1 ZINC000611185124 346633824 /nfs/dbraw/zinc/63/38/24/346633824.db2.gz GKFUBXLOLXTBOO-UHFFFAOYSA-N 1 2 271.324 1.198 20 30 CDEDLO Cn1cc(C[N@@H+](C)CCOc2cccc(C#N)c2)nn1 ZINC000611185124 346633825 /nfs/dbraw/zinc/63/38/25/346633825.db2.gz GKFUBXLOLXTBOO-UHFFFAOYSA-N 1 2 271.324 1.198 20 30 CDEDLO N#Cc1nccnc1NCc1[nH+]ccn1CC(F)(F)F ZINC000075722548 346706743 /nfs/dbraw/zinc/70/67/43/346706743.db2.gz RLPMYALXRVFALU-UHFFFAOYSA-N 1 2 282.229 1.719 20 30 CDEDLO CC[N@H+](CC(=O)N(C)C)Cc1cc(C#N)cs1 ZINC000611254556 346721076 /nfs/dbraw/zinc/72/10/76/346721076.db2.gz JKVKOPVDVQNWQD-UHFFFAOYSA-N 1 2 251.355 1.530 20 30 CDEDLO CC[N@@H+](CC(=O)N(C)C)Cc1cc(C#N)cs1 ZINC000611254556 346721079 /nfs/dbraw/zinc/72/10/79/346721079.db2.gz JKVKOPVDVQNWQD-UHFFFAOYSA-N 1 2 251.355 1.530 20 30 CDEDLO N#Cc1ccccc1N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000611253866 346721340 /nfs/dbraw/zinc/72/13/40/346721340.db2.gz QDJISHMRWSFFTL-UHFFFAOYSA-N 1 2 267.336 1.604 20 30 CDEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c1C#N ZINC000611349403 346756607 /nfs/dbraw/zinc/75/66/07/346756607.db2.gz JDMZBFVXTHKCMP-SJCJKPOMSA-N 1 2 296.374 1.865 20 30 CDEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@H](O)[C@@H](C)C2)c1C#N ZINC000611349403 346756611 /nfs/dbraw/zinc/75/66/11/346756611.db2.gz JDMZBFVXTHKCMP-SJCJKPOMSA-N 1 2 296.374 1.865 20 30 CDEDLO Cc1ccc(C#N)nc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000611399019 346774884 /nfs/dbraw/zinc/77/48/84/346774884.db2.gz VCSBHMHYQPQUMZ-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO N#Cc1ccnc(N2CC[NH+](CC3(C#N)CC3)CC2)c1 ZINC000611429100 346786940 /nfs/dbraw/zinc/78/69/40/346786940.db2.gz COXOZFDGEUAMTN-UHFFFAOYSA-N 1 2 267.336 1.379 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000083445097 347121692 /nfs/dbraw/zinc/12/16/92/347121692.db2.gz PQTJOGJMKFXCDP-UHFFFAOYSA-N 1 2 291.399 1.409 20 30 CDEDLO C=C[C@H](Nc1ccc(N2CCOCC2)[nH+]c1C)C(=O)OC ZINC000619703983 347970236 /nfs/dbraw/zinc/97/02/36/347970236.db2.gz VUVRPTRTDXPBRD-LBPRGKRZSA-N 1 2 291.351 1.366 20 30 CDEDLO Cc1cc(C#N)ccc1C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000614403178 348101035 /nfs/dbraw/zinc/10/10/35/348101035.db2.gz IIXBPKKYSRZFPK-QGZVFWFLSA-N 1 2 285.391 1.773 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1ccc([N+](=O)[O-])cn1 ZINC000414138995 362922290 /nfs/dbraw/zinc/92/22/90/362922290.db2.gz HCHRXEPCNDCQBI-LLVKDONJSA-N 1 2 296.352 1.288 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1ccc([N+](=O)[O-])cn1 ZINC000414138995 362922298 /nfs/dbraw/zinc/92/22/98/362922298.db2.gz HCHRXEPCNDCQBI-LLVKDONJSA-N 1 2 296.352 1.288 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615535208 348578367 /nfs/dbraw/zinc/57/83/67/348578367.db2.gz MFTKHFNMLJLZAQ-CQSZACIVSA-N 1 2 280.412 1.912 20 30 CDEDLO C#CCCOc1ccc(C[NH2+]Cc2cc(C(N)=O)no2)cc1 ZINC000273440083 192151602 /nfs/dbraw/zinc/15/16/02/192151602.db2.gz WJELPYAHLAMHII-UHFFFAOYSA-N 1 2 299.330 1.465 20 30 CDEDLO CN(C(=O)CO[NH+]=C(N)Cc1ccccc1Cl)C1CC1 ZINC000069647295 349106248 /nfs/dbraw/zinc/10/62/48/349106248.db2.gz JGOFBBKXWSRSDA-UHFFFAOYSA-N 1 2 295.770 1.792 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccncc2Cl)CC1 ZINC000073061282 349148370 /nfs/dbraw/zinc/14/83/70/349148370.db2.gz XIDRXIUPEMILJL-UHFFFAOYSA-N 1 2 277.755 1.516 20 30 CDEDLO N#C[C@H](NC(=O)Cn1cc[nH+]c1)c1ccccc1Cl ZINC000073647901 349173068 /nfs/dbraw/zinc/17/30/68/349173068.db2.gz YRXPNJCGWXMFQP-LBPRGKRZSA-N 1 2 274.711 1.918 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C ZINC000521063073 260340745 /nfs/dbraw/zinc/34/07/45/260340745.db2.gz IUHYBCCXWNOZAB-YPMHNXCESA-N 1 2 250.346 1.323 20 30 CDEDLO C=CC[NH+](CC=C)Cc1c(C)nn(C)c1N1CCOCC1 ZINC000158145590 188359459 /nfs/dbraw/zinc/35/94/59/188359459.db2.gz CPTBTOPEYRJUJV-UHFFFAOYSA-N 1 2 290.411 1.739 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000355503136 366107949 /nfs/dbraw/zinc/10/79/49/366107949.db2.gz IZSUCDHWAKRFOW-JSGCOSHPSA-N 1 2 267.373 1.105 20 30 CDEDLO Cc1ncsc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330267211 293671053 /nfs/dbraw/zinc/67/10/53/293671053.db2.gz AJISWBODSULVDW-SECBINFHSA-N 1 2 262.338 1.968 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)/C=C/c1[nH+]ccn1CC ZINC000492966254 366187262 /nfs/dbraw/zinc/18/72/62/366187262.db2.gz XVFYHSNXUNAABE-GUOLPTJISA-N 1 2 263.341 1.360 20 30 CDEDLO C#CCCN1CC[NH+]([C@@H](C)C(=O)N(CC)CC(=C)C)CC1 ZINC000271884535 191388224 /nfs/dbraw/zinc/38/82/24/191388224.db2.gz AGYNRDSUMBPMHE-INIZCTEOSA-N 1 2 291.439 1.440 20 30 CDEDLO N#Cc1cc(F)ccc1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000361024795 283098702 /nfs/dbraw/zinc/09/87/02/283098702.db2.gz DMMYMBSZTZMTCX-UHFFFAOYSA-N 1 2 285.326 1.743 20 30 CDEDLO N#CCC[C@H](C#N)CN1CC[NH+](Cc2cccnc2)CC1 ZINC000091077587 358500233 /nfs/dbraw/zinc/50/02/33/358500233.db2.gz JIGWBBWHYMJGPM-OAHLLOKOSA-N 1 2 283.379 1.643 20 30 CDEDLO CCN1CC[N@H+](Cc2ccc(C#N)c(C)c2)CC1=O ZINC000336305716 356136881 /nfs/dbraw/zinc/13/68/81/356136881.db2.gz PXMFUZOYCCQKIN-UHFFFAOYSA-N 1 2 257.337 1.531 20 30 CDEDLO CCN1CC[N@@H+](Cc2ccc(C#N)c(C)c2)CC1=O ZINC000336305716 356136883 /nfs/dbraw/zinc/13/68/83/356136883.db2.gz PXMFUZOYCCQKIN-UHFFFAOYSA-N 1 2 257.337 1.531 20 30 CDEDLO C=CCCCC(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000175140351 188935556 /nfs/dbraw/zinc/93/55/56/188935556.db2.gz LCNODTZKDNXWDS-UHFFFAOYSA-N 1 2 295.427 1.355 20 30 CDEDLO CCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CC1 ZINC000290543034 357212829 /nfs/dbraw/zinc/21/28/29/357212829.db2.gz ZWXNNLCSWZIPOC-UHFFFAOYSA-N 1 2 293.392 1.601 20 30 CDEDLO CCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CC1 ZINC000290543034 357212834 /nfs/dbraw/zinc/21/28/34/357212834.db2.gz ZWXNNLCSWZIPOC-UHFFFAOYSA-N 1 2 293.392 1.601 20 30 CDEDLO C[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000290530936 357212879 /nfs/dbraw/zinc/21/28/79/357212879.db2.gz ZIWIOHBRBAMOGV-NSHDSACASA-N 1 2 279.365 1.069 20 30 CDEDLO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000290530936 357212886 /nfs/dbraw/zinc/21/28/86/357212886.db2.gz ZIWIOHBRBAMOGV-NSHDSACASA-N 1 2 279.365 1.069 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)Cc1ccc(C#N)cc1 ZINC000070980928 357178446 /nfs/dbraw/zinc/17/84/46/357178446.db2.gz VPGVHSOKBBBGQG-UHFFFAOYSA-N 1 2 254.293 1.482 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc(C#N)cc2)C1 ZINC000334328943 357567296 /nfs/dbraw/zinc/56/72/96/357567296.db2.gz IRTAWSSMZRIHIS-AWEZNQCLSA-N 1 2 280.331 1.921 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@](F)(CO)C2)s1 ZINC000334371321 357572971 /nfs/dbraw/zinc/57/29/71/357572971.db2.gz XBGPRDCOGMRJPS-GFCCVEGCSA-N 1 2 254.330 1.916 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@](F)(CO)C2)s1 ZINC000334371321 357572977 /nfs/dbraw/zinc/57/29/77/357572977.db2.gz XBGPRDCOGMRJPS-GFCCVEGCSA-N 1 2 254.330 1.916 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCS(C)(=O)=O ZINC000188484245 357902693 /nfs/dbraw/zinc/90/26/93/357902693.db2.gz ROUIDRABCLVCQR-NSHDSACASA-N 1 2 266.366 1.596 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCS(C)(=O)=O ZINC000188484245 357902696 /nfs/dbraw/zinc/90/26/96/357902696.db2.gz ROUIDRABCLVCQR-NSHDSACASA-N 1 2 266.366 1.596 20 30 CDEDLO N#Cc1cncnc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000584500227 358040165 /nfs/dbraw/zinc/04/01/65/358040165.db2.gz XLYVBKJHLHTJAV-UHFFFAOYSA-N 1 2 280.335 1.899 20 30 CDEDLO C#CCSCC[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000294604565 199104120 /nfs/dbraw/zinc/10/41/20/199104120.db2.gz DJLMCTQBYBIKCF-GFCCVEGCSA-N 1 2 273.365 1.245 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CCO1 ZINC000192040189 358171303 /nfs/dbraw/zinc/17/13/03/358171303.db2.gz MUQLSCNOFOWSSU-ZDUSSCGKSA-N 1 2 264.300 1.545 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CCO1 ZINC000192040189 358171307 /nfs/dbraw/zinc/17/13/07/358171307.db2.gz MUQLSCNOFOWSSU-ZDUSSCGKSA-N 1 2 264.300 1.545 20 30 CDEDLO N#CCCCCS(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000084015499 358221691 /nfs/dbraw/zinc/22/16/91/358221691.db2.gz YCWNKPFDPHWSMB-UHFFFAOYSA-N 1 2 265.338 1.468 20 30 CDEDLO Cc1ncc(/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C)s1 ZINC000493523668 366435821 /nfs/dbraw/zinc/43/58/21/366435821.db2.gz NDEHLLXTBKFDPE-URWSZGRFSA-N 1 2 278.381 1.425 20 30 CDEDLO Cc1ccnc(-c2noc(C[N@@H+]3CC[C@](O)(CC#N)C3)n2)c1 ZINC000592152816 358588324 /nfs/dbraw/zinc/58/83/24/358588324.db2.gz FCROWTDUFMEQBO-OAHLLOKOSA-N 1 2 299.334 1.291 20 30 CDEDLO Cc1ccnc(-c2noc(C[N@H+]3CC[C@](O)(CC#N)C3)n2)c1 ZINC000592152816 358588325 /nfs/dbraw/zinc/58/83/25/358588325.db2.gz FCROWTDUFMEQBO-OAHLLOKOSA-N 1 2 299.334 1.291 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000494870211 366513424 /nfs/dbraw/zinc/51/34/24/366513424.db2.gz GUSZNANTQKMZTA-CQSZACIVSA-N 1 2 295.427 1.847 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000494870211 366513432 /nfs/dbraw/zinc/51/34/32/366513432.db2.gz GUSZNANTQKMZTA-CQSZACIVSA-N 1 2 295.427 1.847 20 30 CDEDLO CCc1[nH+]c2ccccc2n1CC(=O)N(C)CCC#N ZINC000057382665 359096465 /nfs/dbraw/zinc/09/64/65/359096465.db2.gz CJMZVLCNHNKKHD-UHFFFAOYSA-N 1 2 270.336 1.971 20 30 CDEDLO C=CC[N@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000335252972 359137082 /nfs/dbraw/zinc/13/70/82/359137082.db2.gz ULDRARAMEVCRTR-PHIMTYICSA-N 1 2 253.248 1.975 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000335252972 359137085 /nfs/dbraw/zinc/13/70/85/359137085.db2.gz ULDRARAMEVCRTR-PHIMTYICSA-N 1 2 253.248 1.975 20 30 CDEDLO CC(C)(CC#N)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000570453393 363640943 /nfs/dbraw/zinc/64/09/43/363640943.db2.gz VPAGEHJKMDZNJX-NSHDSACASA-N 1 2 260.341 1.502 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)[C@@H]1COCC[N@H+]1CC ZINC000637182670 359345039 /nfs/dbraw/zinc/34/50/39/359345039.db2.gz UDZRJWWHXQBJRA-OLZOCXBDSA-N 1 2 252.358 1.274 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000637182670 359345041 /nfs/dbraw/zinc/34/50/41/359345041.db2.gz UDZRJWWHXQBJRA-OLZOCXBDSA-N 1 2 252.358 1.274 20 30 CDEDLO C=CCCCC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000267156178 359349160 /nfs/dbraw/zinc/34/91/60/359349160.db2.gz JNZQBTULSZFUKG-UHFFFAOYSA-N 1 2 292.383 1.510 20 30 CDEDLO C=C(C)[C@H](CC(=O)N[C@H](C)Cn1cc[nH+]c1)OCC ZINC000270048566 359389495 /nfs/dbraw/zinc/38/94/95/359389495.db2.gz QPOOBCZDYYSHGU-OLZOCXBDSA-N 1 2 265.357 1.759 20 30 CDEDLO C#CCC[N@H+]1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000270631243 359408049 /nfs/dbraw/zinc/40/80/49/359408049.db2.gz QKUSKYKPOROZRQ-CHWSQXEVSA-N 1 2 265.378 1.896 20 30 CDEDLO C#CCC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000270631243 359408052 /nfs/dbraw/zinc/40/80/52/359408052.db2.gz QKUSKYKPOROZRQ-CHWSQXEVSA-N 1 2 265.378 1.896 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1cccc(NC(C)=O)c1)C1CC1 ZINC000274014129 359489726 /nfs/dbraw/zinc/48/97/26/359489726.db2.gz BAHJDFHUCBKJNC-UHFFFAOYSA-N 1 2 285.347 1.681 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1cccc(NC(C)=O)c1)C1CC1 ZINC000274014129 359489732 /nfs/dbraw/zinc/48/97/32/359489732.db2.gz BAHJDFHUCBKJNC-UHFFFAOYSA-N 1 2 285.347 1.681 20 30 CDEDLO C#CCN(C)c1cc(C)nc([C@@H](C)[N@H+](C)CC#C)n1 ZINC000276889728 359550955 /nfs/dbraw/zinc/55/09/55/359550955.db2.gz BSFVFBWCKJJPOB-CYBMUJFWSA-N 1 2 256.353 1.480 20 30 CDEDLO C#CCN(C)c1cc(C)nc([C@@H](C)[N@@H+](C)CC#C)n1 ZINC000276889728 359550957 /nfs/dbraw/zinc/55/09/57/359550957.db2.gz BSFVFBWCKJJPOB-CYBMUJFWSA-N 1 2 256.353 1.480 20 30 CDEDLO C#CCOc1ccc(CNC(=O)CCc2c[nH+]cn2C)cc1 ZINC000297107584 200086378 /nfs/dbraw/zinc/08/63/78/200086378.db2.gz SATNBAKXGJIBOJ-UHFFFAOYSA-N 1 2 297.358 1.681 20 30 CDEDLO C=CCOCCC[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000348047968 359799842 /nfs/dbraw/zinc/79/98/42/359799842.db2.gz MELZRRYSCGOSSG-UHFFFAOYSA-N 1 2 274.364 1.928 20 30 CDEDLO C=CCOCCC[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000348047968 359799846 /nfs/dbraw/zinc/79/98/46/359799846.db2.gz MELZRRYSCGOSSG-UHFFFAOYSA-N 1 2 274.364 1.928 20 30 CDEDLO CN(CCC#N)S(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000408456013 359797812 /nfs/dbraw/zinc/79/78/12/359797812.db2.gz ZKZAOUIHVYKFHK-NSHDSACASA-N 1 2 297.384 1.027 20 30 CDEDLO COC(=O)[C@@H]([NH2+]Cc1ccc(CC#N)cc1)C1CC1 ZINC000348217918 359890747 /nfs/dbraw/zinc/89/07/47/359890747.db2.gz DXYMITYYKKNSJR-AWEZNQCLSA-N 1 2 258.321 1.794 20 30 CDEDLO N#CC1(CCC[N@@H+](CCO)CC(F)F)CCOCC1 ZINC000337261137 360054954 /nfs/dbraw/zinc/05/49/54/360054954.db2.gz WCYRFGPHNZBSKM-UHFFFAOYSA-N 1 2 276.327 1.646 20 30 CDEDLO N#CC1(CCC[N@H+](CCO)CC(F)F)CCOCC1 ZINC000337261137 360054956 /nfs/dbraw/zinc/05/49/56/360054956.db2.gz WCYRFGPHNZBSKM-UHFFFAOYSA-N 1 2 276.327 1.646 20 30 CDEDLO CCN1CCN(C[C@@H](C#N)CCC#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000348406264 360056086 /nfs/dbraw/zinc/05/60/86/360056086.db2.gz PAXWVWBKWPZKLF-ZIAGYGMSSA-N 1 2 286.383 1.532 20 30 CDEDLO Cc1nn(CCCc2c[nH+]cn2C)c(=O)c(C#N)c1C ZINC000573138477 360202677 /nfs/dbraw/zinc/20/26/77/360202677.db2.gz MCYHQADHXUXYOS-UHFFFAOYSA-N 1 2 271.324 1.098 20 30 CDEDLO N#CC1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000057907470 360167426 /nfs/dbraw/zinc/16/74/26/360167426.db2.gz LXXRKGIDWQLBNF-UHFFFAOYSA-N 1 2 269.348 1.811 20 30 CDEDLO CC[N@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000176800997 189009567 /nfs/dbraw/zinc/00/95/67/189009567.db2.gz KSOVBCDGZJLMHX-CYBMUJFWSA-N 1 2 296.367 1.706 20 30 CDEDLO CC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000176800997 189009568 /nfs/dbraw/zinc/00/95/68/189009568.db2.gz KSOVBCDGZJLMHX-CYBMUJFWSA-N 1 2 296.367 1.706 20 30 CDEDLO C[C@@H](C#N)CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000335404502 360224681 /nfs/dbraw/zinc/22/46/81/360224681.db2.gz HVTWKXMCPTWAIY-QWRGUYRKSA-N 1 2 261.329 1.458 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cn(C)nc2CC)nn1 ZINC000643794467 360295458 /nfs/dbraw/zinc/29/54/58/360295458.db2.gz OPLNZMRUKDGKQH-UHFFFAOYSA-N 1 2 260.345 1.050 20 30 CDEDLO N#CCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)CC1CC1 ZINC000348568658 360411871 /nfs/dbraw/zinc/41/18/71/360411871.db2.gz CKFLZEVRJLZDSG-UHFFFAOYSA-N 1 2 296.374 1.800 20 30 CDEDLO N#CCC[N@H+](CC(=O)NCc1cccc(C#N)c1)CC1CC1 ZINC000348568658 360411875 /nfs/dbraw/zinc/41/18/75/360411875.db2.gz CKFLZEVRJLZDSG-UHFFFAOYSA-N 1 2 296.374 1.800 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC[C@@H]1CCOC ZINC000365840733 360484450 /nfs/dbraw/zinc/48/44/50/360484450.db2.gz ZYKOWFDBTHWFIX-AWEZNQCLSA-N 1 2 284.400 1.148 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOC[C@@H]1CCOC ZINC000365840733 360484455 /nfs/dbraw/zinc/48/44/55/360484455.db2.gz ZYKOWFDBTHWFIX-AWEZNQCLSA-N 1 2 284.400 1.148 20 30 CDEDLO C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)Cn1cc[nH+]c1 ZINC000177879189 189076139 /nfs/dbraw/zinc/07/61/39/189076139.db2.gz IEQLQNVGMWYPDB-JTQLQIEISA-N 1 2 257.297 1.149 20 30 CDEDLO COC(=O)C[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000178296521 189103822 /nfs/dbraw/zinc/10/38/22/189103822.db2.gz ABFCHTFMCMWFJB-UHFFFAOYSA-N 1 2 262.309 1.432 20 30 CDEDLO COC(=O)C[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000178296521 189103823 /nfs/dbraw/zinc/10/38/23/189103823.db2.gz ABFCHTFMCMWFJB-UHFFFAOYSA-N 1 2 262.309 1.432 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000583502640 360691548 /nfs/dbraw/zinc/69/15/48/360691548.db2.gz YRIOMUNLMBAAFC-QJPTWQEYSA-N 1 2 258.325 1.254 20 30 CDEDLO C#CCCCCC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000179706744 189215135 /nfs/dbraw/zinc/21/51/35/189215135.db2.gz WQEYZBBNPJVLOU-UHFFFAOYSA-N 1 2 285.391 1.919 20 30 CDEDLO CC#CCC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1C ZINC000158114646 361119169 /nfs/dbraw/zinc/11/91/69/361119169.db2.gz MRUVJRMGGYRTRV-OAHLLOKOSA-N 1 2 256.349 1.881 20 30 CDEDLO CC#CCC[N@H+]1CCNC(=O)[C@H]1c1ccccc1C ZINC000158114646 361119172 /nfs/dbraw/zinc/11/91/72/361119172.db2.gz MRUVJRMGGYRTRV-OAHLLOKOSA-N 1 2 256.349 1.881 20 30 CDEDLO C=CCNC(=O)CNc1cc(N(C)c2ccccc2)nc[nH+]1 ZINC000432151499 361114571 /nfs/dbraw/zinc/11/45/71/361114571.db2.gz RLGMPIOEKRFENT-UHFFFAOYSA-N 1 2 297.362 1.959 20 30 CDEDLO N#CC[N@@H+](C[C@@H](O)COCC(F)(F)F)C1CCCC1 ZINC000432830354 361193705 /nfs/dbraw/zinc/19/37/05/361193705.db2.gz FJJCXYSJWMMYSY-LLVKDONJSA-N 1 2 280.290 1.694 20 30 CDEDLO N#CC[N@H+](C[C@@H](O)COCC(F)(F)F)C1CCCC1 ZINC000432830354 361193707 /nfs/dbraw/zinc/19/37/07/361193707.db2.gz FJJCXYSJWMMYSY-LLVKDONJSA-N 1 2 280.290 1.694 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)C[C@@H](C)O1 ZINC000247672094 361163397 /nfs/dbraw/zinc/16/33/97/361163397.db2.gz QARKZPFDXNOAII-BFHYXJOUSA-N 1 2 281.400 1.494 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)C[C@@H](C)O1 ZINC000247672094 361163402 /nfs/dbraw/zinc/16/34/02/361163402.db2.gz QARKZPFDXNOAII-BFHYXJOUSA-N 1 2 281.400 1.494 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)NCC3(C#N)CC3)ccn12 ZINC000519424332 361309053 /nfs/dbraw/zinc/30/90/53/361309053.db2.gz WZJFDTLCHBWERE-UHFFFAOYSA-N 1 2 254.293 1.676 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCC2(C#N)CC2)C1 ZINC000570604029 363779502 /nfs/dbraw/zinc/77/95/02/363779502.db2.gz JBUSGLGOZNWFEZ-NSHDSACASA-N 1 2 273.340 1.223 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC(F)C1)C1CCOCC1 ZINC000329311334 361475114 /nfs/dbraw/zinc/47/51/14/361475114.db2.gz GFFXWUOVSDEBLR-GFCCVEGCSA-N 1 2 296.346 1.456 20 30 CDEDLO C[C@@H](C#N)N(C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000436727574 361565577 /nfs/dbraw/zinc/56/55/77/361565577.db2.gz ZZZJHRGEHLTQRW-DZGCQCFKSA-N 1 2 287.363 1.258 20 30 CDEDLO C[C@@H](C#N)N(C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000436727574 361565583 /nfs/dbraw/zinc/56/55/83/361565583.db2.gz ZZZJHRGEHLTQRW-DZGCQCFKSA-N 1 2 287.363 1.258 20 30 CDEDLO CC(C)[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000573370424 364036859 /nfs/dbraw/zinc/03/68/59/364036859.db2.gz DRQFESWMFMRXJL-AWEZNQCLSA-N 1 2 285.351 1.458 20 30 CDEDLO CC(C)[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000573370424 364036865 /nfs/dbraw/zinc/03/68/65/364036865.db2.gz DRQFESWMFMRXJL-AWEZNQCLSA-N 1 2 285.351 1.458 20 30 CDEDLO N#Cc1ccc(CN2CC[NH+](Cc3cccnc3)CC2)nc1 ZINC000582337339 364086199 /nfs/dbraw/zinc/08/61/99/364086199.db2.gz CNNPTYITNTYZNJ-UHFFFAOYSA-N 1 2 293.374 1.666 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2nc(CC(C)C)no2)nn1 ZINC000640918154 364738142 /nfs/dbraw/zinc/73/81/42/364738142.db2.gz MOJBVKCBJNYVEJ-UHFFFAOYSA-N 1 2 288.355 1.021 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N[C@H](C)CCC)nn1 ZINC000640909122 364732773 /nfs/dbraw/zinc/73/27/73/364732773.db2.gz NRUQBHIEBDOORH-OLZOCXBDSA-N 1 2 291.399 1.257 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCOC(C)(C)C)nn1 ZINC000640995833 364801137 /nfs/dbraw/zinc/80/11/37/364801137.db2.gz SRLCQVDTLFTILC-UHFFFAOYSA-N 1 2 250.346 1.206 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccnc(C)c2)nn1 ZINC000641087598 365013519 /nfs/dbraw/zinc/01/35/19/365013519.db2.gz ASFOQPGOJOGEMK-UHFFFAOYSA-N 1 2 255.325 1.143 20 30 CDEDLO C=CCNC(=O)C[N@H+]1C[C@@H](CC)N(C(C)=O)C[C@H]1CC ZINC000472354232 365069538 /nfs/dbraw/zinc/06/95/38/365069538.db2.gz SVFFBBUZYJDETN-ZIAGYGMSSA-N 1 2 281.400 1.010 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](CC)N(C(C)=O)C[C@H]1CC ZINC000472354232 365069544 /nfs/dbraw/zinc/06/95/44/365069544.db2.gz SVFFBBUZYJDETN-ZIAGYGMSSA-N 1 2 281.400 1.010 20 30 CDEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1nccs1 ZINC000566687613 370792838 /nfs/dbraw/zinc/79/28/38/370792838.db2.gz OPSBJORFLYCKOQ-RKDXNWHRSA-N 1 2 252.343 1.752 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000375244819 370800205 /nfs/dbraw/zinc/80/02/05/370800205.db2.gz ISGJNHUJHBEHOI-UKRRQHHQSA-N 1 2 278.396 1.405 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000375244819 370800207 /nfs/dbraw/zinc/80/02/07/370800207.db2.gz ISGJNHUJHBEHOI-UKRRQHHQSA-N 1 2 278.396 1.405 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000275816264 193136642 /nfs/dbraw/zinc/13/66/42/193136642.db2.gz YJKHNMQKZAPTBO-NWDGAFQWSA-N 1 2 279.388 1.279 20 30 CDEDLO Cn1nccc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000271044376 366960003 /nfs/dbraw/zinc/96/00/03/366960003.db2.gz PDQOCSUNBNRKMG-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO CC1(C)C[N@H+](CCNc2ncccc2C#N)CCO1 ZINC000170640490 366997008 /nfs/dbraw/zinc/99/70/08/366997008.db2.gz HGSLJWOTMHNSDC-UHFFFAOYSA-N 1 2 260.341 1.476 20 30 CDEDLO CC1(C)C[N@@H+](CCNc2ncccc2C#N)CCO1 ZINC000170640490 366997018 /nfs/dbraw/zinc/99/70/18/366997018.db2.gz HGSLJWOTMHNSDC-UHFFFAOYSA-N 1 2 260.341 1.476 20 30 CDEDLO COCc1noc(C[NH2+][C@H](C)c2ccc(C#N)cc2)n1 ZINC000272268600 367575453 /nfs/dbraw/zinc/57/54/53/367575453.db2.gz OLISBCLPUMQQCA-SNVBAGLBSA-N 1 2 272.308 1.938 20 30 CDEDLO C#CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032488718 367812393 /nfs/dbraw/zinc/81/23/93/367812393.db2.gz GBODISSCKFUQRW-UHFFFAOYSA-N 1 2 270.248 1.144 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+](C)C[C@H]2CCCO2)c(C#N)c1C ZINC000170687785 368508969 /nfs/dbraw/zinc/50/89/69/368508969.db2.gz JZWGIBVFJOXQTR-GFCCVEGCSA-N 1 2 291.351 1.817 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+](C)C[C@H]2CCCO2)c(C#N)c1C ZINC000170687785 368508977 /nfs/dbraw/zinc/50/89/77/368508977.db2.gz JZWGIBVFJOXQTR-GFCCVEGCSA-N 1 2 291.351 1.817 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCCc1c[nH+]cn1C ZINC000542480421 368772763 /nfs/dbraw/zinc/77/27/63/368772763.db2.gz BSHAZHZWWAKJQG-LLVKDONJSA-N 1 2 251.330 1.060 20 30 CDEDLO C#CC[NH+]1CCN(Cn2nc(OCC)sc2=S)CC1 ZINC000131167703 368997249 /nfs/dbraw/zinc/99/72/49/368997249.db2.gz TXXSXMDFHJIMIF-UHFFFAOYSA-N 1 2 298.437 1.281 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)Nc2sccc2C#N)CCCO1 ZINC000170769662 368988545 /nfs/dbraw/zinc/98/85/45/368988545.db2.gz VMQCZLHMQOPQGR-SNVBAGLBSA-N 1 2 279.365 1.669 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)CCCO1 ZINC000170769662 368988550 /nfs/dbraw/zinc/98/85/50/368988550.db2.gz VMQCZLHMQOPQGR-SNVBAGLBSA-N 1 2 279.365 1.669 20 30 CDEDLO CC(C)CCO[C@@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000574329462 335011069 /nfs/dbraw/zinc/01/10/69/335011069.db2.gz IBTXYKIDSDBFBF-GXTWGEPZSA-N 1 2 269.389 1.398 20 30 CDEDLO C[N@@H+]1CCc2ncnc(NCc3ccc(C#N)s3)c2C1 ZINC000420607126 244278854 /nfs/dbraw/zinc/27/88/54/244278854.db2.gz CJOCOELPVUZQCT-UHFFFAOYSA-N 1 2 285.376 1.432 20 30 CDEDLO C[N@H+]1CCc2ncnc(NCc3ccc(C#N)s3)c2C1 ZINC000420607126 244278861 /nfs/dbraw/zinc/27/88/61/244278861.db2.gz CJOCOELPVUZQCT-UHFFFAOYSA-N 1 2 285.376 1.432 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc2c(c1)COC2 ZINC000564560801 370243952 /nfs/dbraw/zinc/24/39/52/370243952.db2.gz GBCNDEZERUYSJW-OAHLLOKOSA-N 1 2 275.352 1.335 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc2c(c1)COC2 ZINC000564560801 370243957 /nfs/dbraw/zinc/24/39/57/370243957.db2.gz GBCNDEZERUYSJW-OAHLLOKOSA-N 1 2 275.352 1.335 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(F)cc1F ZINC000564697812 370245283 /nfs/dbraw/zinc/24/52/83/370245283.db2.gz XJDYELAKZDGVSC-CYBMUJFWSA-N 1 2 267.279 1.538 20 30 CDEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC000371781945 370407918 /nfs/dbraw/zinc/40/79/18/370407918.db2.gz QJYCGKVUYGKWBY-CVEARBPZSA-N 1 2 283.375 1.990 20 30 CDEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC000371781945 370407924 /nfs/dbraw/zinc/40/79/24/370407924.db2.gz QJYCGKVUYGKWBY-CVEARBPZSA-N 1 2 283.375 1.990 20 30 CDEDLO N#CC1(CNC(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000565577272 370479391 /nfs/dbraw/zinc/47/93/91/370479391.db2.gz NCSYTRBHEHHMKQ-UHFFFAOYSA-N 1 2 254.293 1.297 20 30 CDEDLO CC(C)NS(=O)(=O)c1cccc(C[NH2+]CCC#N)c1 ZINC000567678392 371094695 /nfs/dbraw/zinc/09/46/95/371094695.db2.gz RKQXFFIQNQURBD-UHFFFAOYSA-N 1 2 281.381 1.377 20 30 CDEDLO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]CCC#N ZINC000567891670 371185181 /nfs/dbraw/zinc/18/51/81/371185181.db2.gz OMADJYLHROLERI-UHFFFAOYSA-N 1 2 295.408 1.518 20 30 CDEDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccc(C#N)cc2)CCO1 ZINC000347653965 372105011 /nfs/dbraw/zinc/10/50/11/372105011.db2.gz UBRROPLYNNLAQM-HNNXBMFYSA-N 1 2 287.363 1.399 20 30 CDEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)cc2)CCO1 ZINC000347653965 372105017 /nfs/dbraw/zinc/10/50/17/372105017.db2.gz UBRROPLYNNLAQM-HNNXBMFYSA-N 1 2 287.363 1.399 20 30 CDEDLO C[C@@H](C#N)CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000182735138 372620868 /nfs/dbraw/zinc/62/08/68/372620868.db2.gz IZJVRMYVPFDOGU-NWDGAFQWSA-N 1 2 273.340 1.119 20 30 CDEDLO C[C@@H](C#N)CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000182872997 372630822 /nfs/dbraw/zinc/63/08/22/372630822.db2.gz YDNXBDIYVBKXNH-RYUDHWBXSA-N 1 2 261.329 1.217 20 30 CDEDLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000340898874 373089783 /nfs/dbraw/zinc/08/97/83/373089783.db2.gz HKJFWKHBRKEJDD-HNNXBMFYSA-N 1 2 292.383 1.143 20 30 CDEDLO CC[C@@]1(C)COCC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000340898874 373089788 /nfs/dbraw/zinc/08/97/88/373089788.db2.gz HKJFWKHBRKEJDD-HNNXBMFYSA-N 1 2 292.383 1.143 20 30 CDEDLO C=CCN(CCOC)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000190741551 373414508 /nfs/dbraw/zinc/41/45/08/373414508.db2.gz HBHWJMNNNFKQKO-UHFFFAOYSA-N 1 2 291.351 1.298 20 30 CDEDLO C=CC[N@@H+](CCOC)CC(=O)N(C)c1ccccc1 ZINC000191116733 373450008 /nfs/dbraw/zinc/45/00/08/373450008.db2.gz CNQFADAKNGILPD-UHFFFAOYSA-N 1 2 262.353 1.784 20 30 CDEDLO C=CC[N@H+](CCOC)CC(=O)N(C)c1ccccc1 ZINC000191116733 373450010 /nfs/dbraw/zinc/45/00/10/373450010.db2.gz CNQFADAKNGILPD-UHFFFAOYSA-N 1 2 262.353 1.784 20 30 CDEDLO C=CC[N@@H+](CCOC)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000191125176 373453758 /nfs/dbraw/zinc/45/37/58/373453758.db2.gz ZMEMYJGXGPGEEA-OAHLLOKOSA-N 1 2 276.380 1.950 20 30 CDEDLO C=CC[N@H+](CCOC)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000191125176 373453767 /nfs/dbraw/zinc/45/37/67/373453767.db2.gz ZMEMYJGXGPGEEA-OAHLLOKOSA-N 1 2 276.380 1.950 20 30 CDEDLO C=CC[C@@H](CO)NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000341497022 373711374 /nfs/dbraw/zinc/71/13/74/373711374.db2.gz JKFGCSGPCHWKEV-OLZOCXBDSA-N 1 2 292.383 1.305 20 30 CDEDLO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCOC1 ZINC000266516141 373943651 /nfs/dbraw/zinc/94/36/51/373943651.db2.gz GQXUPUUKHITGEF-CYBMUJFWSA-N 1 2 284.319 1.829 20 30 CDEDLO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCOC1 ZINC000266516141 373943656 /nfs/dbraw/zinc/94/36/56/373943656.db2.gz GQXUPUUKHITGEF-CYBMUJFWSA-N 1 2 284.319 1.829 20 30 CDEDLO C[C@H](C(=O)NCc1c[nH+]c[nH]1)c1cccc(C#N)c1 ZINC000360263035 374007987 /nfs/dbraw/zinc/00/79/87/374007987.db2.gz WYIKXSPJOWBYCT-JTQLQIEISA-N 1 2 254.293 1.701 20 30 CDEDLO C[C@H](C(=O)NCc1c[nH]c[nH+]1)c1cccc(C#N)c1 ZINC000360263035 374007990 /nfs/dbraw/zinc/00/79/90/374007990.db2.gz WYIKXSPJOWBYCT-JTQLQIEISA-N 1 2 254.293 1.701 20 30 CDEDLO CN1CCO[C@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC000361837819 374053842 /nfs/dbraw/zinc/05/38/42/374053842.db2.gz NMUWVDCMFNEQGM-CABCVRRESA-N 1 2 275.327 1.212 20 30 CDEDLO CN1CCO[C@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC000361837819 374053845 /nfs/dbraw/zinc/05/38/45/374053845.db2.gz NMUWVDCMFNEQGM-CABCVRRESA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC000361837819 374053851 /nfs/dbraw/zinc/05/38/51/374053851.db2.gz NMUWVDCMFNEQGM-CABCVRRESA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC000361837819 374053855 /nfs/dbraw/zinc/05/38/55/374053855.db2.gz NMUWVDCMFNEQGM-CABCVRRESA-N 1 2 275.327 1.212 20 30 CDEDLO CCOC(=O)C[N@H+](CCOC)CCC(C)(C)C#N ZINC000342546462 374287090 /nfs/dbraw/zinc/28/70/90/374287090.db2.gz JHTOCUGSKAZLOV-UHFFFAOYSA-N 1 2 256.346 1.438 20 30 CDEDLO CCOC(=O)C[N@@H+](CCOC)CCC(C)(C)C#N ZINC000342546462 374287098 /nfs/dbraw/zinc/28/70/98/374287098.db2.gz JHTOCUGSKAZLOV-UHFFFAOYSA-N 1 2 256.346 1.438 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000640137433 374285234 /nfs/dbraw/zinc/28/52/34/374285234.db2.gz NXGFPZWOFXGDSF-CYBMUJFWSA-N 1 2 291.370 1.638 20 30 CDEDLO COCc1ccc(NC(=O)Cc2[nH]c[nH+]c2C)cc1C#N ZINC000529817456 374471909 /nfs/dbraw/zinc/47/19/09/374471909.db2.gz NHWUCTOBXUWEFK-UHFFFAOYSA-N 1 2 284.319 1.917 20 30 CDEDLO N#Cc1csc(C[NH2+]CC(=O)N2Cc3ccccc3C2)n1 ZINC000352938433 374473126 /nfs/dbraw/zinc/47/31/26/374473126.db2.gz KZQYUEPPGWAOCQ-UHFFFAOYSA-N 1 2 298.371 1.647 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccon3)CC2)s1 ZINC000129098517 375174546 /nfs/dbraw/zinc/17/45/46/375174546.db2.gz KPDBTIKYEZDMLG-UHFFFAOYSA-N 1 2 288.376 1.926 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N1CCc2[nH]c[nH+]c2C1)OCC ZINC000627370406 375227818 /nfs/dbraw/zinc/22/78/18/375227818.db2.gz YJQMGXHIEHXZRJ-CYBMUJFWSA-N 1 2 263.341 1.666 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N1CCc2[nH+]c[nH]c2C1)OCC ZINC000627370406 375227828 /nfs/dbraw/zinc/22/78/28/375227828.db2.gz YJQMGXHIEHXZRJ-CYBMUJFWSA-N 1 2 263.341 1.666 20 30 CDEDLO COC(=O)C1(C)C[NH+](Cc2cc(C#N)cs2)C1 ZINC000425372165 246802224 /nfs/dbraw/zinc/80/22/24/246802224.db2.gz INKWNHAVSLGADP-UHFFFAOYSA-N 1 2 250.323 1.615 20 30 CDEDLO C[C@H]1CC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)=NO1 ZINC000359875362 375473940 /nfs/dbraw/zinc/47/39/40/375473940.db2.gz SXHBLYQXHQDYNK-AAEUAGOBSA-N 1 2 288.351 1.285 20 30 CDEDLO C[C@H]1CC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)=NO1 ZINC000359875362 375473944 /nfs/dbraw/zinc/47/39/44/375473944.db2.gz SXHBLYQXHQDYNK-AAEUAGOBSA-N 1 2 288.351 1.285 20 30 CDEDLO CCC(CC)n1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)n1 ZINC000564091005 375725809 /nfs/dbraw/zinc/72/58/09/375725809.db2.gz YASGJOAVZGPIKU-OAHLLOKOSA-N 1 2 291.399 1.818 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1ccccc1OC ZINC000133688677 375812852 /nfs/dbraw/zinc/81/28/52/375812852.db2.gz FTRYSAQZIAJNRG-UHFFFAOYSA-N 1 2 289.379 1.889 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1ccccc1OC ZINC000133688677 375812853 /nfs/dbraw/zinc/81/28/53/375812853.db2.gz FTRYSAQZIAJNRG-UHFFFAOYSA-N 1 2 289.379 1.889 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000049001170 375874173 /nfs/dbraw/zinc/87/41/73/375874173.db2.gz XUYIIHJBIFLTGF-OLZOCXBDSA-N 1 2 276.384 1.809 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000049001170 375874176 /nfs/dbraw/zinc/87/41/76/375874176.db2.gz XUYIIHJBIFLTGF-OLZOCXBDSA-N 1 2 276.384 1.809 20 30 CDEDLO Cc1noc(C(C)(C)[NH2+]CC(=O)NC(=O)NC2CC2)n1 ZINC000328873042 375995794 /nfs/dbraw/zinc/99/57/94/375995794.db2.gz FCDYUODSYXVKOO-UHFFFAOYSA-N 1 2 281.316 1.236 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(C#N)s1 ZINC000345387153 376024996 /nfs/dbraw/zinc/02/49/96/376024996.db2.gz NNHHACREAQVCEC-LLVKDONJSA-N 1 2 293.392 1.412 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000331040716 376470666 /nfs/dbraw/zinc/47/06/66/376470666.db2.gz CYGSMHXXHSXBJH-LBPRGKRZSA-N 1 2 267.373 1.248 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000331040716 376470670 /nfs/dbraw/zinc/47/06/70/376470670.db2.gz CYGSMHXXHSXBJH-LBPRGKRZSA-N 1 2 267.373 1.248 20 30 CDEDLO Cc1cccc(C(=O)N[C@H](CO)C[NH+]2CCOCC2)c1F ZINC000331238740 376789915 /nfs/dbraw/zinc/78/99/15/376789915.db2.gz JIUCODIWKWCTMU-LBPRGKRZSA-N 1 2 296.342 1.132 20 30 CDEDLO C=C(C)C[NH2+][C@H](C(=O)OC)[C@@H]1CCC[C@@H](OC)C1 ZINC000572125350 377721266 /nfs/dbraw/zinc/72/12/66/377721266.db2.gz YADNWGWNPGCOPY-UPJWGTAASA-N 1 2 255.358 1.899 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC ZINC000093050372 378027719 /nfs/dbraw/zinc/02/77/19/378027719.db2.gz SGWWRVDWUKVISW-CQSZACIVSA-N 1 2 272.348 1.409 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC ZINC000093050372 378027724 /nfs/dbraw/zinc/02/77/24/378027724.db2.gz SGWWRVDWUKVISW-CQSZACIVSA-N 1 2 272.348 1.409 20 30 CDEDLO C=CCCC[N@H+]1CC[S@@](=O)C[C@@H]1c1cnn(C)c1 ZINC000287682056 378276845 /nfs/dbraw/zinc/27/68/45/378276845.db2.gz IEVHBQBQHKNJPV-FZKQIMNGSA-N 1 2 267.398 1.492 20 30 CDEDLO C=CCCC[N@@H+]1CC[S@@](=O)C[C@@H]1c1cnn(C)c1 ZINC000287682056 378276849 /nfs/dbraw/zinc/27/68/49/378276849.db2.gz IEVHBQBQHKNJPV-FZKQIMNGSA-N 1 2 267.398 1.492 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](CCCO)Cc2ccccn2)C1=O ZINC000287739479 378278241 /nfs/dbraw/zinc/27/82/41/378278241.db2.gz LAERLAVEGQRGOS-OAHLLOKOSA-N 1 2 289.379 1.053 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](CCCO)Cc2ccccn2)C1=O ZINC000287739479 378278245 /nfs/dbraw/zinc/27/82/45/378278245.db2.gz LAERLAVEGQRGOS-OAHLLOKOSA-N 1 2 289.379 1.053 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@](C)(CC)C1 ZINC000135584664 378232262 /nfs/dbraw/zinc/23/22/62/378232262.db2.gz PAMRKZFMMANIMM-OAHLLOKOSA-N 1 2 266.385 1.688 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@](C)(CC)C1 ZINC000135584664 378232267 /nfs/dbraw/zinc/23/22/67/378232267.db2.gz PAMRKZFMMANIMM-OAHLLOKOSA-N 1 2 266.385 1.688 20 30 CDEDLO C#CCC(CC#C)C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000288009334 378299488 /nfs/dbraw/zinc/29/94/88/378299488.db2.gz HDLZBRWHUYDXKY-CYBMUJFWSA-N 1 2 257.337 1.886 20 30 CDEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000120928124 378360401 /nfs/dbraw/zinc/36/04/01/378360401.db2.gz QNBNECICOZQKRJ-MNOVXSKESA-N 1 2 298.383 1.951 20 30 CDEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000120928124 378360404 /nfs/dbraw/zinc/36/04/04/378360404.db2.gz QNBNECICOZQKRJ-MNOVXSKESA-N 1 2 298.383 1.951 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000290864665 378414592 /nfs/dbraw/zinc/41/45/92/378414592.db2.gz ZUKIIPIJDNJGKI-YPMHNXCESA-N 1 2 251.330 1.550 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)Cc1ccccc1C(=O)N(C)C ZINC000417737096 378432120 /nfs/dbraw/zinc/43/21/20/378432120.db2.gz VOAOPWVCQNKGDV-GFCCVEGCSA-N 1 2 259.353 1.980 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccccc1C(=O)N(C)C ZINC000417737096 378432125 /nfs/dbraw/zinc/43/21/25/378432125.db2.gz VOAOPWVCQNKGDV-GFCCVEGCSA-N 1 2 259.353 1.980 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccccc1C(=O)N(C)C ZINC000417737097 378432279 /nfs/dbraw/zinc/43/22/79/378432279.db2.gz VOAOPWVCQNKGDV-LBPRGKRZSA-N 1 2 259.353 1.980 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccccc1C(=O)N(C)C ZINC000417737097 378432284 /nfs/dbraw/zinc/43/22/84/378432284.db2.gz VOAOPWVCQNKGDV-LBPRGKRZSA-N 1 2 259.353 1.980 20 30 CDEDLO C#CCNC(=O)CC[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000292925797 378527302 /nfs/dbraw/zinc/52/73/02/378527302.db2.gz YLQGLZTUXJIKTA-CYBMUJFWSA-N 1 2 278.377 1.261 20 30 CDEDLO C#CCNC(=O)CC[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000292925797 378527307 /nfs/dbraw/zinc/52/73/07/378527307.db2.gz YLQGLZTUXJIKTA-CYBMUJFWSA-N 1 2 278.377 1.261 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C ZINC000293274708 378551725 /nfs/dbraw/zinc/55/17/25/378551725.db2.gz VEAVNQDFIVZPCD-STQMWFEESA-N 1 2 279.384 1.346 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C ZINC000293274708 378551732 /nfs/dbraw/zinc/55/17/32/378551732.db2.gz VEAVNQDFIVZPCD-STQMWFEESA-N 1 2 279.384 1.346 20 30 CDEDLO C=CCC(C)(C)CNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000293732497 378587018 /nfs/dbraw/zinc/58/70/18/378587018.db2.gz HXQLDTSHJRBYPA-CYBMUJFWSA-N 1 2 278.400 1.741 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000296703270 378745182 /nfs/dbraw/zinc/74/51/82/378745182.db2.gz MPIUPSHNOCBBMJ-NEPJUHHUSA-N 1 2 250.346 1.659 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000296703270 378745185 /nfs/dbraw/zinc/74/51/85/378745185.db2.gz MPIUPSHNOCBBMJ-NEPJUHHUSA-N 1 2 250.346 1.659 20 30 CDEDLO CC(=O)NC[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000343559476 378927834 /nfs/dbraw/zinc/92/78/34/378927834.db2.gz UQGZQWPOPQXUSI-INIZCTEOSA-N 1 2 287.363 1.090 20 30 CDEDLO CC(=O)NC[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000343559476 378927837 /nfs/dbraw/zinc/92/78/37/378927837.db2.gz UQGZQWPOPQXUSI-INIZCTEOSA-N 1 2 287.363 1.090 20 30 CDEDLO C=C(C)CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000343689005 378950702 /nfs/dbraw/zinc/95/07/02/378950702.db2.gz ZJFAEZDPJHLPDN-QWHCGFSZSA-N 1 2 259.353 1.846 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000343916982 379017983 /nfs/dbraw/zinc/01/79/83/379017983.db2.gz REBBCXMDCMABOC-ZDUSSCGKSA-N 1 2 266.385 1.592 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000343916982 379017988 /nfs/dbraw/zinc/01/79/88/379017988.db2.gz 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/nfs/dbraw/zinc/35/54/87/296355487.db2.gz OKHVRZWVRFQXGG-CYBMUJFWSA-N 1 2 269.304 1.114 20 30 CDEDLO O=C1NC(=O)N2CC[N@@H+](CC#Cc3ccccc3)C[C@H]12 ZINC000330129492 296355488 /nfs/dbraw/zinc/35/54/88/296355488.db2.gz OKHVRZWVRFQXGG-CYBMUJFWSA-N 1 2 269.304 1.114 20 30 CDEDLO C=CCNC(=O)CN1CCCC[C@H]1c1[nH+]ccn1CC ZINC000281052671 195084241 /nfs/dbraw/zinc/08/42/41/195084241.db2.gz QZDVMLYZLKFHQT-ZDUSSCGKSA-N 1 2 276.384 1.732 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000497056296 254007549 /nfs/dbraw/zinc/00/75/49/254007549.db2.gz RMNIYZPDUZDJLA-GFCCVEGCSA-N 1 2 291.326 1.970 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000497056296 254007552 /nfs/dbraw/zinc/00/75/52/254007552.db2.gz RMNIYZPDUZDJLA-GFCCVEGCSA-N 1 2 291.326 1.970 20 30 CDEDLO Cc1[nH]nc(NC(=O)C[NH+]2CCC(C)CC2)c1C#N ZINC000288319206 197050448 /nfs/dbraw/zinc/05/04/48/197050448.db2.gz XTQDSXNFXARATN-UHFFFAOYSA-N 1 2 261.329 1.260 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)NC2CCCC2)C1=O ZINC000281337178 195202116 /nfs/dbraw/zinc/20/21/16/195202116.db2.gz MEIJUMWJKOOZEA-TZMCWYRMSA-N 1 2 293.411 1.152 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)NC2CCCC2)C1=O ZINC000281337178 195202117 /nfs/dbraw/zinc/20/21/17/195202117.db2.gz MEIJUMWJKOOZEA-TZMCWYRMSA-N 1 2 293.411 1.152 20 30 CDEDLO C=CCN1CC[C@H]([NH2+][C@@H](COC)c2ccc(CC)o2)C1=O ZINC000281478330 195256413 /nfs/dbraw/zinc/25/64/13/195256413.db2.gz WLKJUZQVXKDXFW-KBPBESRZSA-N 1 2 292.379 1.906 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc2nccnc2c1 ZINC000574880695 335055106 /nfs/dbraw/zinc/05/51/06/335055106.db2.gz QAFURYIXWMAOPF-OAHLLOKOSA-N 1 2 283.335 1.203 20 30 CDEDLO NC(COc1ccccc1)=[NH+]OCC[C@H]1CCCO1 ZINC000189211580 262169152 /nfs/dbraw/zinc/16/91/52/262169152.db2.gz YATAZGZEFFFLSE-CYBMUJFWSA-N 1 2 264.325 1.923 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C(C)(F)F ZINC001663350163 1172678469 /nfs/dbraw/zinc/67/84/69/1172678469.db2.gz OKGVDAACQZPXEK-UHFFFAOYSA-N 1 2 254.708 1.832 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C(C)(F)F ZINC001663350163 1172678471 /nfs/dbraw/zinc/67/84/71/1172678471.db2.gz OKGVDAACQZPXEK-UHFFFAOYSA-N 1 2 254.708 1.832 20 30 CDEDLO N#Cc1c(F)cccc1C(=O)NCCCn1cc[nH+]c1 ZINC000187293684 390408321 /nfs/dbraw/zinc/40/83/21/390408321.db2.gz CBIUCVVTGGDNPE-UHFFFAOYSA-N 1 2 272.283 1.714 20 30 CDEDLO COCC[N@H+](Cc1nc(C#N)cs1)[C@H]1CCO[C@H]1C ZINC000419305678 390564445 /nfs/dbraw/zinc/56/44/45/390564445.db2.gz LPMVGWWAHWRPIK-JQWIXIFHSA-N 1 2 281.381 1.641 20 30 CDEDLO COCC[N@@H+](Cc1nc(C#N)cs1)[C@H]1CCO[C@H]1C ZINC000419305678 390564449 /nfs/dbraw/zinc/56/44/49/390564449.db2.gz LPMVGWWAHWRPIK-JQWIXIFHSA-N 1 2 281.381 1.641 20 30 CDEDLO C=C(CC)CN1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000358507070 390664618 /nfs/dbraw/zinc/66/46/18/390664618.db2.gz KUIJOYQIFJJZPY-HNNXBMFYSA-N 1 2 279.428 1.581 20 30 CDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cccc([N+](=O)[O-])c1 ZINC000112335902 390685979 /nfs/dbraw/zinc/68/59/79/390685979.db2.gz HKENKNZXVMJXDK-UHFFFAOYSA-N 1 2 294.311 1.298 20 30 CDEDLO CCN(C(=O)[C@@H](C)O[NH+]=C(N)CCO)c1ccccc1 ZINC000121393775 390884950 /nfs/dbraw/zinc/88/49/50/390884950.db2.gz OORQQPMSMYDVRA-LLVKDONJSA-N 1 2 279.340 1.099 20 30 CDEDLO Cc1[nH+]cc(CN2CCO[C@H](C#N)C2)n1-c1ccccc1 ZINC000093135440 390899798 /nfs/dbraw/zinc/89/97/98/390899798.db2.gz ZQXZMUYHLPNUNV-MRXNPFEDSA-N 1 2 282.347 1.905 20 30 CDEDLO N#Cc1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1Cl ZINC000127051970 390922068 /nfs/dbraw/zinc/92/20/68/390922068.db2.gz ZLWMVJGYMZHCOH-UHFFFAOYSA-N 1 2 260.684 1.865 20 30 CDEDLO C=CCCS(=O)(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360203791 390957118 /nfs/dbraw/zinc/95/71/18/390957118.db2.gz RHUUGBIMZCGZJJ-UHFFFAOYSA-N 1 2 291.376 1.868 20 30 CDEDLO O=C(N[C@@H]1CCCOC1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000329592077 391022752 /nfs/dbraw/zinc/02/27/52/391022752.db2.gz BWBDXDSAINYOEK-ZIAGYGMSSA-N 1 2 282.384 1.623 20 30 CDEDLO O=C(N[C@@H]1CCCOC1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000329592077 391022755 /nfs/dbraw/zinc/02/27/55/391022755.db2.gz BWBDXDSAINYOEK-ZIAGYGMSSA-N 1 2 282.384 1.623 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000364494765 390964932 /nfs/dbraw/zinc/96/49/32/390964932.db2.gz KYPFDSAERQBTRH-CQSZACIVSA-N 1 2 271.299 1.736 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000364494765 390964933 /nfs/dbraw/zinc/96/49/33/390964933.db2.gz KYPFDSAERQBTRH-CQSZACIVSA-N 1 2 271.299 1.736 20 30 CDEDLO C[C@H](C(=O)Nc1nnc(C2CCC2)[nH]1)N1CC[NH+](C)CC1 ZINC000329539323 391008190 /nfs/dbraw/zinc/00/81/90/391008190.db2.gz VYNRTVMPOMECPA-SNVBAGLBSA-N 1 2 292.387 1.296 20 30 CDEDLO C[C@H](C(=O)Nc1nc(C2CCC2)n[nH]1)N1CC[NH+](C)CC1 ZINC000329539323 391008195 /nfs/dbraw/zinc/00/81/95/391008195.db2.gz VYNRTVMPOMECPA-SNVBAGLBSA-N 1 2 292.387 1.296 20 30 CDEDLO C[C@H](C(=O)Nc1n[nH]c(C2CCC2)n1)N1CC[NH+](C)CC1 ZINC000329539323 391008199 /nfs/dbraw/zinc/00/81/99/391008199.db2.gz VYNRTVMPOMECPA-SNVBAGLBSA-N 1 2 292.387 1.296 20 30 CDEDLO Cc1noc([C@H](C)[NH+]=C([O-])N[C@@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000329547008 391011395 /nfs/dbraw/zinc/01/13/95/391011395.db2.gz HIHPCJQYRSLRDR-IONNQARKSA-N 1 2 290.327 1.223 20 30 CDEDLO Cc1noc([C@H](C)[NH+]=C([O-])N[C@@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000329547008 391011397 /nfs/dbraw/zinc/01/13/97/391011397.db2.gz HIHPCJQYRSLRDR-IONNQARKSA-N 1 2 290.327 1.223 20 30 CDEDLO C=CCOCC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000293773727 391036047 /nfs/dbraw/zinc/03/60/47/391036047.db2.gz LDZANNOBHULMCD-AWEZNQCLSA-N 1 2 260.337 1.362 20 30 CDEDLO C=CCOCC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000293773727 391036051 /nfs/dbraw/zinc/03/60/51/391036051.db2.gz LDZANNOBHULMCD-AWEZNQCLSA-N 1 2 260.337 1.362 20 30 CDEDLO C=CCCCCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000351742395 391089216 /nfs/dbraw/zinc/08/92/16/391089216.db2.gz UTAMFPGTBZSTCT-ZDUSSCGKSA-N 1 2 269.389 1.363 20 30 CDEDLO C=CCN1CC[C@H]([NH+]2CCC(F)(C#N)CC2)C1=O ZINC000352469132 391149425 /nfs/dbraw/zinc/14/94/25/391149425.db2.gz WKZNBRFJBYUYKC-NSHDSACASA-N 1 2 251.305 1.101 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000373794072 391130988 /nfs/dbraw/zinc/13/09/88/391130988.db2.gz ZIPGGEHVEMEFAG-ZBFHGGJFSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000373794072 391130990 /nfs/dbraw/zinc/13/09/90/391130990.db2.gz ZIPGGEHVEMEFAG-ZBFHGGJFSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)CS(=O)(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000373822613 391134292 /nfs/dbraw/zinc/13/42/92/391134292.db2.gz JYZPLGMGTXPKRS-AWEZNQCLSA-N 1 2 280.393 1.669 20 30 CDEDLO C=C(C)CS(=O)(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000373822613 391134296 /nfs/dbraw/zinc/13/42/96/391134296.db2.gz JYZPLGMGTXPKRS-AWEZNQCLSA-N 1 2 280.393 1.669 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2c2cc(C)on2)C1=O ZINC000374100773 391147191 /nfs/dbraw/zinc/14/71/91/391147191.db2.gz VHTZTMOJYRZAQN-UONOGXRCSA-N 1 2 275.352 1.907 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2c2cc(C)on2)C1=O ZINC000374100773 391147193 /nfs/dbraw/zinc/14/71/93/391147193.db2.gz VHTZTMOJYRZAQN-UONOGXRCSA-N 1 2 275.352 1.907 20 30 CDEDLO N#CC1(F)CC[NH+](CC(=O)NC2CCCC2)CC1 ZINC000352484942 391155627 /nfs/dbraw/zinc/15/56/27/391155627.db2.gz VOPDEYCOTJMHQO-UHFFFAOYSA-N 1 2 253.321 1.373 20 30 CDEDLO C[C@@H](CNC(=O)CCc1cnccn1)[NH+]1CCOCC1 ZINC000329993617 533361335 /nfs/dbraw/zinc/36/13/35/533361335.db2.gz LPWKPIOBWJSQTM-LBPRGKRZSA-N 1 2 278.356 1.086 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cc1cn(Cc2cccnc2)nn1 ZINC000491634017 391172309 /nfs/dbraw/zinc/17/23/09/391172309.db2.gz QGUSWWUTEHLBRG-GFCCVEGCSA-N 1 2 255.325 1.175 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cn(Cc2cccnc2)nn1 ZINC000491634017 391172312 /nfs/dbraw/zinc/17/23/12/391172312.db2.gz QGUSWWUTEHLBRG-GFCCVEGCSA-N 1 2 255.325 1.175 20 30 CDEDLO CC#CCCCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376172368 391216892 /nfs/dbraw/zinc/21/68/92/391216892.db2.gz LBKWAHHGOGZRIU-GJZGRUSLSA-N 1 2 278.396 1.502 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000268486541 391218075 /nfs/dbraw/zinc/21/80/75/391218075.db2.gz QEHZNLJQQZCHIL-GFCCVEGCSA-N 1 2 273.336 1.753 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000268486541 391218076 /nfs/dbraw/zinc/21/80/76/391218076.db2.gz QEHZNLJQQZCHIL-GFCCVEGCSA-N 1 2 273.336 1.753 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)[C@H]2COC[C@H]2O)c1C ZINC000352816676 391205331 /nfs/dbraw/zinc/20/53/31/391205331.db2.gz PPHYVMUIXYBEHV-GOEBONIOSA-N 1 2 292.379 1.165 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@H]2COC[C@H]2O)c1C ZINC000352816676 391205334 /nfs/dbraw/zinc/20/53/34/391205334.db2.gz PPHYVMUIXYBEHV-GOEBONIOSA-N 1 2 292.379 1.165 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCCOc1ccccc1)C1CC1 ZINC000491747262 391268746 /nfs/dbraw/zinc/26/87/46/391268746.db2.gz PVQLQOSCULXNGB-UHFFFAOYSA-N 1 2 272.348 1.279 20 30 CDEDLO C#CC[N@H+](CC(=O)NCCOc1ccccc1)C1CC1 ZINC000491747262 391268749 /nfs/dbraw/zinc/26/87/49/391268749.db2.gz PVQLQOSCULXNGB-UHFFFAOYSA-N 1 2 272.348 1.279 20 30 CDEDLO C#CCC[NH+]1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000301991332 391290961 /nfs/dbraw/zinc/29/09/61/391290961.db2.gz NEVJCACKOIHIQF-UHFFFAOYSA-N 1 2 265.338 1.802 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCc1ccc(OC)c(OC)c1 ZINC000339763114 391352664 /nfs/dbraw/zinc/35/26/64/391352664.db2.gz MERUNCQHAXDTPV-UHFFFAOYSA-N 1 2 290.363 1.275 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCc1ccc(OC)c(OC)c1 ZINC000339763114 391352668 /nfs/dbraw/zinc/35/26/68/391352668.db2.gz MERUNCQHAXDTPV-UHFFFAOYSA-N 1 2 290.363 1.275 20 30 CDEDLO Cc1n[nH]cc1CCCNc1cc(C)[nH+]cc1C#N ZINC000399411875 391353282 /nfs/dbraw/zinc/35/32/82/391353282.db2.gz WKZZQUOHUXUFOD-UHFFFAOYSA-N 1 2 255.325 1.760 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346443564 391356703 /nfs/dbraw/zinc/35/67/03/391356703.db2.gz ARCGOSJVXKIOLD-UONOGXRCSA-N 1 2 293.411 1.106 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346443564 391356706 /nfs/dbraw/zinc/35/67/06/391356706.db2.gz ARCGOSJVXKIOLD-UONOGXRCSA-N 1 2 293.411 1.106 20 30 CDEDLO CC(C)(C#N)CC[N@@H+]1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000346964977 391378859 /nfs/dbraw/zinc/37/88/59/391378859.db2.gz NHHZUFQTUDEEKR-HNNXBMFYSA-N 1 2 285.391 1.969 20 30 CDEDLO CC(C)(C#N)CC[N@H+]1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000346964977 391378860 /nfs/dbraw/zinc/37/88/60/391378860.db2.gz NHHZUFQTUDEEKR-HNNXBMFYSA-N 1 2 285.391 1.969 20 30 CDEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCSC1 ZINC000328918002 391393920 /nfs/dbraw/zinc/39/39/20/391393920.db2.gz BCUSLVCTGJANGX-DTWKUNHWSA-N 1 2 251.355 1.977 20 30 CDEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCSC1 ZINC000328918002 391393923 /nfs/dbraw/zinc/39/39/23/391393923.db2.gz BCUSLVCTGJANGX-DTWKUNHWSA-N 1 2 251.355 1.977 20 30 CDEDLO N#Cc1csc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1 ZINC000348571898 391436802 /nfs/dbraw/zinc/43/68/02/391436802.db2.gz DBSFLDPJRKPEMA-ZIAGYGMSSA-N 1 2 278.377 2.000 20 30 CDEDLO N#Cc1csc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1 ZINC000348571898 391436807 /nfs/dbraw/zinc/43/68/07/391436807.db2.gz DBSFLDPJRKPEMA-ZIAGYGMSSA-N 1 2 278.377 2.000 20 30 CDEDLO CC[C@H](CC#N)NC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411392434 391445465 /nfs/dbraw/zinc/44/54/65/391445465.db2.gz CUNAYCDRDDLADD-GFCCVEGCSA-N 1 2 288.351 1.754 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H](C#N)c1ccccc1F ZINC000355602768 391459913 /nfs/dbraw/zinc/45/99/13/391459913.db2.gz DHYSPYBUATXJAL-AWEZNQCLSA-N 1 2 286.310 1.873 20 30 CDEDLO C=CCCC1(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000355656698 391462765 /nfs/dbraw/zinc/46/27/65/391462765.db2.gz KKIBBLNSTXAHGG-ZDUSSCGKSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CCCC1(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000355656698 391462768 /nfs/dbraw/zinc/46/27/68/391462768.db2.gz KKIBBLNSTXAHGG-ZDUSSCGKSA-N 1 2 266.385 1.570 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)c(OC(F)F)c1 ZINC000437148962 391628429 /nfs/dbraw/zinc/62/84/29/391628429.db2.gz YFJZEPQBFJEPBT-LLVKDONJSA-N 1 2 295.289 1.609 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c(OC(F)F)c1 ZINC000437148962 391628431 /nfs/dbraw/zinc/62/84/31/391628431.db2.gz YFJZEPQBFJEPBT-LLVKDONJSA-N 1 2 295.289 1.609 20 30 CDEDLO N#CC1(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000519741204 391697792 /nfs/dbraw/zinc/69/77/92/391697792.db2.gz KFULHRQIDCYRJB-CYBMUJFWSA-N 1 2 286.335 1.548 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCCCOC)Cc1ccccc1 ZINC000285821777 391720902 /nfs/dbraw/zinc/72/09/02/391720902.db2.gz VOJAUPXETYWKCF-UHFFFAOYSA-N 1 2 274.364 1.275 20 30 CDEDLO C#CC[N@H+](CC(=O)NCCCOC)Cc1ccccc1 ZINC000285821777 391720905 /nfs/dbraw/zinc/72/09/05/391720905.db2.gz VOJAUPXETYWKCF-UHFFFAOYSA-N 1 2 274.364 1.275 20 30 CDEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)Nc3nccs3)C2)n1 ZINC000329070423 391747181 /nfs/dbraw/zinc/74/71/81/391747181.db2.gz YMOUNUCXVGUYBG-SECBINFHSA-N 1 2 293.352 1.912 20 30 CDEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3nccs3)C2)n1 ZINC000329070423 391747183 /nfs/dbraw/zinc/74/71/83/391747183.db2.gz YMOUNUCXVGUYBG-SECBINFHSA-N 1 2 293.352 1.912 20 30 CDEDLO C[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)[C@@H]1CO ZINC000189718220 130014812 /nfs/dbraw/zinc/01/48/12/130014812.db2.gz QMBBCOGYZSGPMH-MWLCHTKSSA-N 1 2 279.365 1.261 20 30 CDEDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)[C@@H]1CO ZINC000189718220 130014815 /nfs/dbraw/zinc/01/48/15/130014815.db2.gz QMBBCOGYZSGPMH-MWLCHTKSSA-N 1 2 279.365 1.261 20 30 CDEDLO C[C@]1([NH+]=C([O-])N[C@@H]2CCc3[nH]c[nH+]c3C2)CCCOC1 ZINC000329748686 391769394 /nfs/dbraw/zinc/76/93/94/391769394.db2.gz TVUUGHPRJQZUQQ-YGRLFVJLSA-N 1 2 278.356 1.340 20 30 CDEDLO C[C@]1([NH+]=C([O-])N[C@@H]2CCc3[nH+]c[nH]c3C2)CCCOC1 ZINC000329748686 391769401 /nfs/dbraw/zinc/76/94/01/391769401.db2.gz TVUUGHPRJQZUQQ-YGRLFVJLSA-N 1 2 278.356 1.340 20 30 CDEDLO C[C@@H]1OCC[C@]1(C)NC(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000329750856 391770451 /nfs/dbraw/zinc/77/04/51/391770451.db2.gz IKRFQDJFTIOXQI-HUBLWGQQSA-N 1 2 292.383 1.832 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000329893357 391795166 /nfs/dbraw/zinc/79/51/66/391795166.db2.gz JLZGPBLRJJFVII-BFHYXJOUSA-N 1 2 282.384 1.645 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000329893357 391795169 /nfs/dbraw/zinc/79/51/69/391795169.db2.gz JLZGPBLRJJFVII-BFHYXJOUSA-N 1 2 282.384 1.645 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@@H](COC(C)C)C1 ZINC000372167314 391839965 /nfs/dbraw/zinc/83/99/65/391839965.db2.gz QOXQXNILZPJSMG-OAHLLOKOSA-N 1 2 298.427 1.537 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@@H](COC(C)C)C1 ZINC000372167314 391839968 /nfs/dbraw/zinc/83/99/68/391839968.db2.gz QOXQXNILZPJSMG-OAHLLOKOSA-N 1 2 298.427 1.537 20 30 CDEDLO CC(C)c1nc(C2CC[NH+](CC(=O)NCC#N)CC2)no1 ZINC000343100649 392088338 /nfs/dbraw/zinc/08/83/38/392088338.db2.gz WHIJERNRSPNGRE-UHFFFAOYSA-N 1 2 291.355 1.012 20 30 CDEDLO Cc1nc(C(=O)NCc2cn3c([nH+]2)CCCC3)ccc1C#N ZINC000263841071 131344243 /nfs/dbraw/zinc/34/42/43/131344243.db2.gz RTKVDFSSNDVCSB-UHFFFAOYSA-N 1 2 295.346 1.725 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(C#N)c(O)c1 ZINC000442618296 392437309 /nfs/dbraw/zinc/43/73/09/392437309.db2.gz KBASLQUDPXQUDB-UHFFFAOYSA-N 1 2 270.292 1.270 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CS[C@H](C)C(C)C)CC1 ZINC000490778615 392538905 /nfs/dbraw/zinc/53/89/05/392538905.db2.gz HQAILTAGPDLKAT-CYBMUJFWSA-N 1 2 268.426 1.542 20 30 CDEDLO N#Cc1ccc(C(=O)NCCNc2cccc[nH+]2)s1 ZINC000488668404 392720474 /nfs/dbraw/zinc/72/04/74/392720474.db2.gz ACKXWZWBTYRQNA-UHFFFAOYSA-N 1 2 272.333 1.857 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000268647990 132041870 /nfs/dbraw/zinc/04/18/70/132041870.db2.gz FWVDNUSPJHUJBU-HIFRSBDPSA-N 1 2 292.310 1.179 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000268647990 132041871 /nfs/dbraw/zinc/04/18/71/132041871.db2.gz FWVDNUSPJHUJBU-HIFRSBDPSA-N 1 2 292.310 1.179 20 30 CDEDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268686172 132049140 /nfs/dbraw/zinc/04/91/40/132049140.db2.gz NPYQAIJHTGBZMI-LSDHHAIUSA-N 1 2 287.363 1.048 20 30 CDEDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268686172 132049141 /nfs/dbraw/zinc/04/91/41/132049141.db2.gz NPYQAIJHTGBZMI-LSDHHAIUSA-N 1 2 287.363 1.048 20 30 CDEDLO CNC(=O)C1CCC(Nc2cc(C)[nH+]cc2C#N)CC1 ZINC000425216988 392995539 /nfs/dbraw/zinc/99/55/39/392995539.db2.gz SXYRJVRKJNJBSP-UHFFFAOYSA-N 1 2 272.352 1.400 20 30 CDEDLO CCS(=O)(=O)C1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425260742 393009179 /nfs/dbraw/zinc/00/91/79/393009179.db2.gz OVMOIOREIMAAOM-UHFFFAOYSA-N 1 2 293.392 1.665 20 30 CDEDLO Cc1cc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c(C#N)cn1 ZINC000333471811 393175617 /nfs/dbraw/zinc/17/56/17/393175617.db2.gz NTMIVHVUOQULIS-UKRRQHHQSA-N 1 2 286.379 1.561 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)COc1ccccc1C#N ZINC000058401701 139629488 /nfs/dbraw/zinc/62/94/88/139629488.db2.gz ICQBERHODVLIGT-UHFFFAOYSA-N 1 2 284.319 1.329 20 30 CDEDLO C[C@H](O)C[N@@H+]1CCN(C(=O)c2sccc2C#N)[C@@H](C)C1 ZINC000253204661 140332377 /nfs/dbraw/zinc/33/23/77/140332377.db2.gz NSNZLOHEKIBUGH-QWRGUYRKSA-N 1 2 293.392 1.147 20 30 CDEDLO C[C@H](O)C[N@H+]1CCN(C(=O)c2sccc2C#N)[C@@H](C)C1 ZINC000253204661 140332379 /nfs/dbraw/zinc/33/23/79/140332379.db2.gz NSNZLOHEKIBUGH-QWRGUYRKSA-N 1 2 293.392 1.147 20 30 CDEDLO C=CCCNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000664227936 413160663 /nfs/dbraw/zinc/16/06/63/413160663.db2.gz LZFZCLPRFCEBDD-LBPRGKRZSA-N 1 2 262.357 1.673 20 30 CDEDLO C=CCCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000664227936 413160668 /nfs/dbraw/zinc/16/06/68/413160668.db2.gz LZFZCLPRFCEBDD-LBPRGKRZSA-N 1 2 262.357 1.673 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCc2cccc(OC)c2C1 ZINC000650106649 397724518 /nfs/dbraw/zinc/72/45/18/397724518.db2.gz REQVSOBUPBQWEK-GFCCVEGCSA-N 1 2 274.364 1.744 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCc2cccc(OC)c2C1 ZINC000650106649 397724521 /nfs/dbraw/zinc/72/45/21/397724521.db2.gz REQVSOBUPBQWEK-GFCCVEGCSA-N 1 2 274.364 1.744 20 30 CDEDLO C=CCN(C(=O)NCCn1cc[nH+]c1)[C@H](C)COC ZINC000656541774 413394892 /nfs/dbraw/zinc/39/48/92/413394892.db2.gz XPFVQWGAUBGQJG-GFCCVEGCSA-N 1 2 266.345 1.116 20 30 CDEDLO CCOC(=O)CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000374389874 160281759 /nfs/dbraw/zinc/28/17/59/160281759.db2.gz VMAZOUFLEVITPZ-HNNXBMFYSA-N 1 2 288.347 1.885 20 30 CDEDLO CCOC(=O)CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000374389874 160281760 /nfs/dbraw/zinc/28/17/60/160281760.db2.gz VMAZOUFLEVITPZ-HNNXBMFYSA-N 1 2 288.347 1.885 20 30 CDEDLO N#Cc1cccc(OCC[N@@H+]2CCN3C(=O)OC[C@H]3C2)c1 ZINC000374561922 160296041 /nfs/dbraw/zinc/29/60/41/160296041.db2.gz UCCKJJIQKCPJEO-CYBMUJFWSA-N 1 2 287.319 1.073 20 30 CDEDLO N#Cc1cccc(OCC[N@H+]2CCN3C(=O)OC[C@H]3C2)c1 ZINC000374561922 160296042 /nfs/dbraw/zinc/29/60/42/160296042.db2.gz UCCKJJIQKCPJEO-CYBMUJFWSA-N 1 2 287.319 1.073 20 30 CDEDLO CCSCc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)no1 ZINC000575128052 335070261 /nfs/dbraw/zinc/07/02/61/335070261.db2.gz YXQXAOHGXXQFMF-ZDUSSCGKSA-N 1 2 296.396 1.501 20 30 CDEDLO C#CCNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000043507697 175059811 /nfs/dbraw/zinc/05/98/11/175059811.db2.gz NFKVXXLSCGHFEE-UHFFFAOYSA-N 1 2 273.361 1.625 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CC(=O)NC(C)C ZINC000078644620 177365684 /nfs/dbraw/zinc/36/56/84/177365684.db2.gz RBMLOUXGEBVWSS-ZDUSSCGKSA-N 1 2 283.416 1.256 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CC(=O)NC(C)C ZINC000078644620 177365685 /nfs/dbraw/zinc/36/56/85/177365685.db2.gz RBMLOUXGEBVWSS-ZDUSSCGKSA-N 1 2 283.416 1.256 20 30 CDEDLO C[C@H](C#N)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171838401 335081732 /nfs/dbraw/zinc/08/17/32/335081732.db2.gz RPQACRWUHSNRGB-LLVKDONJSA-N 1 2 254.293 1.762 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@](C)(F)C1)C1CC1 ZINC000331774727 228127361 /nfs/dbraw/zinc/12/73/61/228127361.db2.gz BRDCTERDMSUOJH-KGLIPLIRSA-N 1 2 267.348 1.619 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@](C)(F)C1)C1CC1 ZINC000331774727 228127364 /nfs/dbraw/zinc/12/73/64/228127364.db2.gz BRDCTERDMSUOJH-KGLIPLIRSA-N 1 2 267.348 1.619 20 30 CDEDLO CCOCCNC(=O)CO[NH+]=C(N)c1cccc(Cl)c1 ZINC000084505583 260364533 /nfs/dbraw/zinc/36/45/33/260364533.db2.gz ZXLOYJQZIHTHEK-UHFFFAOYSA-N 1 2 299.758 1.130 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2c(F)cccc2C1 ZINC000152823558 261070108 /nfs/dbraw/zinc/07/01/08/261070108.db2.gz MOMNJFCFNGKPID-LBPRGKRZSA-N 1 2 289.354 1.944 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCc2c(F)cccc2C1 ZINC000152823558 261070109 /nfs/dbraw/zinc/07/01/09/261070109.db2.gz MOMNJFCFNGKPID-LBPRGKRZSA-N 1 2 289.354 1.944 20 30 CDEDLO C#CCNC(=O)c1ccccc1NCc1c[nH+]cn1C ZINC000490819572 261214293 /nfs/dbraw/zinc/21/42/93/261214293.db2.gz IYKBJFMUKHUZDK-UHFFFAOYSA-N 1 2 268.320 1.395 20 30 CDEDLO C#CC[NH+]1CCN(c2ccccc2OCCOC)CC1 ZINC000490867091 261231909 /nfs/dbraw/zinc/23/19/09/261231909.db2.gz ZJEKKQZUKHXSIP-UHFFFAOYSA-N 1 2 274.364 1.467 20 30 CDEDLO CCN(CC)C(=O)CO[NH+]=C(N)Cc1ccc(OC)cc1 ZINC000177563434 261705590 /nfs/dbraw/zinc/70/55/90/261705590.db2.gz ITFPXCOQMYTGJO-UHFFFAOYSA-N 1 2 293.367 1.395 20 30 CDEDLO C=CCn1c(C)nnc1SCC[N@H+]1CCOC[C@@H]1C ZINC000188229110 262285334 /nfs/dbraw/zinc/28/53/34/262285334.db2.gz ZOBZOGBWKNRPPJ-NSHDSACASA-N 1 2 282.413 1.585 20 30 CDEDLO C=CCn1c(C)nnc1SCC[N@@H+]1CCOC[C@@H]1C ZINC000188229110 262285335 /nfs/dbraw/zinc/28/53/35/262285335.db2.gz ZOBZOGBWKNRPPJ-NSHDSACASA-N 1 2 282.413 1.585 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000339758798 262665640 /nfs/dbraw/zinc/66/56/40/262665640.db2.gz TZFUWPRTIVIFCZ-UHFFFAOYSA-N 1 2 288.347 1.757 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000339758798 262665641 /nfs/dbraw/zinc/66/56/41/262665641.db2.gz TZFUWPRTIVIFCZ-UHFFFAOYSA-N 1 2 288.347 1.757 20 30 CDEDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)N(C)[C@@H](C)CC#N ZINC000451925348 263008257 /nfs/dbraw/zinc/00/82/57/263008257.db2.gz FFJJLEBIFQYWGI-QWRGUYRKSA-N 1 2 299.400 1.032 20 30 CDEDLO COc1cc(C)nc(CO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000283912503 263084807 /nfs/dbraw/zinc/08/48/07/263084807.db2.gz DORGFMGKFJUMGA-LBPRGKRZSA-N 1 2 265.313 1.366 20 30 CDEDLO NC(=[NH+]OCc1ccc(-n2cccn2)cc1)[C@H]1CCCO1 ZINC000284570112 263087292 /nfs/dbraw/zinc/08/72/92/263087292.db2.gz WVHQMDPBBHHAPS-CQSZACIVSA-N 1 2 286.335 1.840 20 30 CDEDLO Cc1ncc(CO)c(/C=[NH+]/C[C@H]2CCOC[C@H]2C)c1O ZINC000285277520 263091691 /nfs/dbraw/zinc/09/16/91/263091691.db2.gz IFUYNMKJEVFWGT-GTDAPVETSA-N 1 2 278.352 1.679 20 30 CDEDLO C#CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000285876758 263096452 /nfs/dbraw/zinc/09/64/52/263096452.db2.gz YLAITKODDTXHFB-SFHVURJKSA-N 1 2 295.386 1.930 20 30 CDEDLO C#CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000285876758 263096453 /nfs/dbraw/zinc/09/64/53/263096453.db2.gz YLAITKODDTXHFB-SFHVURJKSA-N 1 2 295.386 1.930 20 30 CDEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COc1ccccc1F ZINC000292340987 263131325 /nfs/dbraw/zinc/13/13/25/263131325.db2.gz WYCFJHDRUCTXCG-ZDUSSCGKSA-N 1 2 278.327 1.967 20 30 CDEDLO C=CC[N@H+](CCC#N)C[C@H](O)COc1ccccc1F ZINC000292340987 263131326 /nfs/dbraw/zinc/13/13/26/263131326.db2.gz WYCFJHDRUCTXCG-ZDUSSCGKSA-N 1 2 278.327 1.967 20 30 CDEDLO COc1cc(C[NH2+]Cc2nnc(C3CC3)[nH]2)ccc1C#N ZINC000294825126 263168010 /nfs/dbraw/zinc/16/80/10/263168010.db2.gz PHUGGYPATXTJPU-UHFFFAOYSA-N 1 2 283.335 1.852 20 30 CDEDLO CC(C)(CC#N)CS(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000296478078 263191973 /nfs/dbraw/zinc/19/19/73/263191973.db2.gz YEAYNDMBXSBZOK-UHFFFAOYSA-N 1 2 279.365 1.714 20 30 CDEDLO CCOC(=O)CC/[NH+]=C/c1cccc(OC)c1O ZINC000299269897 263236725 /nfs/dbraw/zinc/23/67/25/263236725.db2.gz RVXDLHGITLOKII-NTEUORMPSA-N 1 2 251.282 1.773 20 30 CDEDLO CCn1nccc1NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000330678112 264014470 /nfs/dbraw/zinc/01/44/70/264014470.db2.gz CBVZNXKQKJUGDL-NEPJUHHUSA-N 1 2 295.387 1.338 20 30 CDEDLO C[C@H](C[S@](C)=O)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330826788 264048794 /nfs/dbraw/zinc/04/87/94/264048794.db2.gz PCKOSJWQYDHQLW-HZNYWTHISA-N 1 2 298.412 1.270 20 30 CDEDLO CCC[NH+]1CCC(NC(=O)NCc2cn[nH]c2C)CC1 ZINC000330974547 264100823 /nfs/dbraw/zinc/10/08/23/264100823.db2.gz GRLBVEVWJFQAFA-UHFFFAOYSA-N 1 2 279.388 1.596 20 30 CDEDLO CCOC[C@H]1CCN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000331063125 264110849 /nfs/dbraw/zinc/11/08/49/264110849.db2.gz DERUSVONPJUSTC-NSHDSACASA-N 1 2 266.345 1.193 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000331070774 264113624 /nfs/dbraw/zinc/11/36/24/264113624.db2.gz RXCWKNJNRBPGNZ-QWHCGFSZSA-N 1 2 281.400 1.494 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000331070774 264113621 /nfs/dbraw/zinc/11/36/21/264113621.db2.gz RXCWKNJNRBPGNZ-QWHCGFSZSA-N 1 2 281.400 1.494 20 30 CDEDLO N#CCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000331148649 264138885 /nfs/dbraw/zinc/13/88/85/264138885.db2.gz NCEKMHXEKOXPTL-UHFFFAOYSA-N 1 2 273.340 1.027 20 30 CDEDLO N#Cc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@H]2C#N)cc1 ZINC000331340541 264195551 /nfs/dbraw/zinc/19/55/51/264195551.db2.gz KCRYCLZFEGOCBJ-GXTWGEPZSA-N 1 2 268.320 1.779 20 30 CDEDLO C=CCCC1(C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000356392474 266105940 /nfs/dbraw/zinc/10/59/40/266105940.db2.gz KYTYQPMEBJKGAI-STQMWFEESA-N 1 2 264.369 1.274 20 30 CDEDLO C=CCCC1(C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000356392474 266105945 /nfs/dbraw/zinc/10/59/45/266105945.db2.gz KYTYQPMEBJKGAI-STQMWFEESA-N 1 2 264.369 1.274 20 30 CDEDLO C=C[C@@H](CO)NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000356849386 266189129 /nfs/dbraw/zinc/18/91/29/266189129.db2.gz OMARAXJXDZLPDL-LBPRGKRZSA-N 1 2 271.320 1.457 20 30 CDEDLO C=CCCN(C)C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000357007384 266232359 /nfs/dbraw/zinc/23/23/59/266232359.db2.gz FSACUBQANVLROU-CQSZACIVSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CCCN(C)C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000357007384 266232361 /nfs/dbraw/zinc/23/23/61/266232361.db2.gz FSACUBQANVLROU-CQSZACIVSA-N 1 2 266.385 1.522 20 30 CDEDLO C=C[C@H](CO)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000357603514 266333724 /nfs/dbraw/zinc/33/37/24/266333724.db2.gz OVWJIPOFRUTOTE-LLVKDONJSA-N 1 2 281.319 1.774 20 30 CDEDLO CCOC[C@H]1C[N@H+](Cc2ccc(C#N)cc2OC)CCO1 ZINC000528723577 267141547 /nfs/dbraw/zinc/14/15/47/267141547.db2.gz KQZKFJWHXKAAKV-OAHLLOKOSA-N 1 2 290.363 1.804 20 30 CDEDLO CCOC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2OC)CCO1 ZINC000528723577 267141549 /nfs/dbraw/zinc/14/15/49/267141549.db2.gz KQZKFJWHXKAAKV-OAHLLOKOSA-N 1 2 290.363 1.804 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000368438391 267172288 /nfs/dbraw/zinc/17/22/88/267172288.db2.gz LGUSXHMWKTXAEO-BFUOFWGJSA-N 1 2 286.441 1.111 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000368438391 267172289 /nfs/dbraw/zinc/17/22/89/267172289.db2.gz LGUSXHMWKTXAEO-BFUOFWGJSA-N 1 2 286.441 1.111 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000370225638 267300513 /nfs/dbraw/zinc/30/05/13/267300513.db2.gz WRKBKKZMTHNFTD-LPEHRKFASA-N 1 2 273.174 1.481 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000370225638 267300515 /nfs/dbraw/zinc/30/05/15/267300515.db2.gz WRKBKKZMTHNFTD-LPEHRKFASA-N 1 2 273.174 1.481 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cscn3)CC2)nc1 ZINC000519710034 268221227 /nfs/dbraw/zinc/22/12/27/268221227.db2.gz XOIQFPZINBGIFX-UHFFFAOYSA-N 1 2 299.403 1.728 20 30 CDEDLO N#Cc1ccc(SCC(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000524418581 268260975 /nfs/dbraw/zinc/26/09/75/268260975.db2.gz AQQSWHNDJCOLAM-UHFFFAOYSA-N 1 2 298.371 1.930 20 30 CDEDLO C#CC[NH+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291732410 275382924 /nfs/dbraw/zinc/38/29/24/275382924.db2.gz XXLWBYHFRIQKGS-UHFFFAOYSA-N 1 2 296.330 1.898 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(C#N)cc3)C[C@@H]21 ZINC000152331358 277130493 /nfs/dbraw/zinc/13/04/93/277130493.db2.gz WBLKDHHRLRJEBT-KBPBESRZSA-N 1 2 286.335 1.105 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(C#N)cc3)C[C@@H]21 ZINC000152331358 277130495 /nfs/dbraw/zinc/13/04/95/277130495.db2.gz WBLKDHHRLRJEBT-KBPBESRZSA-N 1 2 286.335 1.105 20 30 CDEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1CC#Cc1ccccc1 ZINC000289963087 279117222 /nfs/dbraw/zinc/11/72/22/279117222.db2.gz WSEKSRZLFIZZQP-SJLPKXTDSA-N 1 2 284.403 1.833 20 30 CDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccccc2C#N)[C@H](C)C1 ZINC000352619633 279365605 /nfs/dbraw/zinc/36/56/05/279365605.db2.gz VHRQXFRVFDPCKX-GFCCVEGCSA-N 1 2 293.392 1.273 20 30 CDEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccccc2C#N)[C@H](C)C1 ZINC000352619633 279365607 /nfs/dbraw/zinc/36/56/07/279365607.db2.gz VHRQXFRVFDPCKX-GFCCVEGCSA-N 1 2 293.392 1.273 20 30 CDEDLO CC(C)[C@H](C)NC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352459071 280214925 /nfs/dbraw/zinc/21/49/25/280214925.db2.gz SPSFZLXYTDOVQX-NSHDSACASA-N 1 2 255.337 1.475 20 30 CDEDLO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCCO1 ZINC000329461141 280340162 /nfs/dbraw/zinc/34/01/62/280340162.db2.gz SFVYANFCVGBOGN-CHWSQXEVSA-N 1 2 292.383 1.613 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343556996 289237902 /nfs/dbraw/zinc/23/79/02/289237902.db2.gz RTDIIBUJDVDLLW-NEPJUHHUSA-N 1 2 293.323 1.426 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343556996 289237906 /nfs/dbraw/zinc/23/79/06/289237906.db2.gz RTDIIBUJDVDLLW-NEPJUHHUSA-N 1 2 293.323 1.426 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CCCO[C@H](C)C2)c(C#N)c1C ZINC000170769121 294036428 /nfs/dbraw/zinc/03/64/28/294036428.db2.gz QAGQISDQUWGPHQ-SNVBAGLBSA-N 1 2 291.351 1.817 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CCCO[C@H](C)C2)c(C#N)c1C ZINC000170769121 294036431 /nfs/dbraw/zinc/03/64/31/294036431.db2.gz QAGQISDQUWGPHQ-SNVBAGLBSA-N 1 2 291.351 1.817 20 30 CDEDLO N#Cc1cnc(CN2CC[NH+](Cc3ccsc3)CC2)nc1 ZINC000568610188 294066939 /nfs/dbraw/zinc/06/69/39/294066939.db2.gz QAARESINVZCCNI-UHFFFAOYSA-N 1 2 299.403 1.728 20 30 CDEDLO Cc1nc(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)ccc1C#N ZINC000568645457 294076735 /nfs/dbraw/zinc/07/67/35/294076735.db2.gz LREIYORRLCCYDE-LLVKDONJSA-N 1 2 294.305 1.236 20 30 CDEDLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccc(C#N)c(O)c2)[nH+]1 ZINC000570577068 294265933 /nfs/dbraw/zinc/26/59/33/294265933.db2.gz PXUMJSQGAPBJPX-UHFFFAOYSA-N 1 2 284.319 1.961 20 30 CDEDLO [O-]C(=[NH+]C1CC(C(F)(F)F)C1)N1CCn2c[nH+]cc2C1 ZINC000329698529 295376326 /nfs/dbraw/zinc/37/63/26/295376326.db2.gz CSSVSUYPVBWECE-UHFFFAOYSA-N 1 2 288.273 1.954 20 30 CDEDLO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCO[C@H]2CCC[C@H]21 ZINC000330281816 295388070 /nfs/dbraw/zinc/38/80/70/295388070.db2.gz UYIZQVIDMKPUPZ-XQQFMLRXSA-N 1 2 290.367 1.365 20 30 CDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[S@](=O)C1 ZINC000335697407 300269159 /nfs/dbraw/zinc/26/91/59/300269159.db2.gz PJBZKXDSNNKZAF-SGTLLEGYSA-N 1 2 262.378 1.759 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[S@](=O)C1 ZINC000335697407 300269164 /nfs/dbraw/zinc/26/91/64/300269164.db2.gz PJBZKXDSNNKZAF-SGTLLEGYSA-N 1 2 262.378 1.759 20 30 CDEDLO C[C@H]1COCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000279604351 300349361 /nfs/dbraw/zinc/34/93/61/300349361.db2.gz XFVDWYUUUINTRF-BBRMVZONSA-N 1 2 299.374 1.774 20 30 CDEDLO C[C@H]1COCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000279604351 300349362 /nfs/dbraw/zinc/34/93/62/300349362.db2.gz XFVDWYUUUINTRF-BBRMVZONSA-N 1 2 299.374 1.774 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCCC[C@@H]2c2nc(=O)[nH][nH]2)c1 ZINC000289315776 303203791 /nfs/dbraw/zinc/20/37/91/303203791.db2.gz JOSSULYSIRGKIW-CYBMUJFWSA-N 1 2 283.335 1.697 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2c2nc(=O)[nH][nH]2)c1 ZINC000289315776 303203793 /nfs/dbraw/zinc/20/37/93/303203793.db2.gz JOSSULYSIRGKIW-CYBMUJFWSA-N 1 2 283.335 1.697 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1cccc(O)c1 ZINC000531587342 328016580 /nfs/dbraw/zinc/01/65/80/328016580.db2.gz PZCOHOUWENXAPS-CYBMUJFWSA-N 1 2 289.379 1.832 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000531587342 328016581 /nfs/dbraw/zinc/01/65/81/328016581.db2.gz PZCOHOUWENXAPS-CYBMUJFWSA-N 1 2 289.379 1.832 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+](CC)Cc1occc1C ZINC000412042173 328102021 /nfs/dbraw/zinc/10/20/21/328102021.db2.gz NVUYCOCCIFTMEY-UHFFFAOYSA-N 1 2 279.340 1.422 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+](CC)Cc1occc1C ZINC000412042173 328102022 /nfs/dbraw/zinc/10/20/22/328102022.db2.gz NVUYCOCCIFTMEY-UHFFFAOYSA-N 1 2 279.340 1.422 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)COc1ccc(F)cc1 ZINC000268271723 328183657 /nfs/dbraw/zinc/18/36/57/328183657.db2.gz CJOMKTIEPUCAEU-WCQYABFASA-N 1 2 266.316 1.799 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)COc1ccc(F)cc1 ZINC000268271723 328183658 /nfs/dbraw/zinc/18/36/58/328183658.db2.gz CJOMKTIEPUCAEU-WCQYABFASA-N 1 2 266.316 1.799 20 30 CDEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nn1C(C)(C)C ZINC000570401448 327589095 /nfs/dbraw/zinc/58/90/95/327589095.db2.gz SRTFPEZNGQORFT-HNNXBMFYSA-N 1 2 291.399 1.520 20 30 CDEDLO C#CCCS(=O)(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000377342263 329012068 /nfs/dbraw/zinc/01/20/68/329012068.db2.gz IFJCMYPITTXQMY-ZDUSSCGKSA-N 1 2 295.408 1.028 20 30 CDEDLO C=CCCOCCNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000378276030 329044980 /nfs/dbraw/zinc/04/49/80/329044980.db2.gz YKIVRHSMDPOJPT-ZDUSSCGKSA-N 1 2 292.383 1.512 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCc1cccc(COC)c1 ZINC000174048934 329156778 /nfs/dbraw/zinc/15/67/78/329156778.db2.gz GDQVDIJGEFOCQM-UHFFFAOYSA-N 1 2 284.359 1.018 20 30 CDEDLO N#CCCC[C@@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000424198891 330326260 /nfs/dbraw/zinc/32/62/60/330326260.db2.gz YKMLABMFXMKDFI-SECBINFHSA-N 1 2 278.268 1.260 20 30 CDEDLO C[C@H](C(=O)N[C@@H](C#N)C(C)(C)C)[NH+]1CCSCC1 ZINC000153392623 330643318 /nfs/dbraw/zinc/64/33/18/330643318.db2.gz MODQQZOAHMMOGW-MNOVXSKESA-N 1 2 269.414 1.478 20 30 CDEDLO CC[C@H](C(=O)NCC(C)(C)CC#N)[N@@H+]1CCO[C@@H](CC)C1 ZINC000458013672 331240818 /nfs/dbraw/zinc/24/08/18/331240818.db2.gz BNWMZKLTJODVPZ-UONOGXRCSA-N 1 2 295.427 1.932 20 30 CDEDLO CC[C@H](C(=O)NCC(C)(C)CC#N)[N@H+]1CCO[C@@H](CC)C1 ZINC000458013672 331240819 /nfs/dbraw/zinc/24/08/19/331240819.db2.gz BNWMZKLTJODVPZ-UONOGXRCSA-N 1 2 295.427 1.932 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000458560661 331253080 /nfs/dbraw/zinc/25/30/80/331253080.db2.gz JIRSNQAVBSIREC-CYBMUJFWSA-N 1 2 288.351 1.461 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1cccc(O)c1Br ZINC000459556028 331287658 /nfs/dbraw/zinc/28/76/58/331287658.db2.gz AILBDPLJICXMBK-SECBINFHSA-N 1 2 272.142 1.791 20 30 CDEDLO C=CCn1cccc1C(=O)NCCNc1cccc[nH+]1 ZINC000488390069 332003665 /nfs/dbraw/zinc/00/36/65/332003665.db2.gz NMMNWXJEMABSGU-UHFFFAOYSA-N 1 2 270.336 1.911 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000490655925 332100338 /nfs/dbraw/zinc/10/03/38/332100338.db2.gz DZFSQGWPCWCPLU-WDEREUQCSA-N 1 2 292.301 1.168 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000490655925 332100340 /nfs/dbraw/zinc/10/03/40/332100340.db2.gz DZFSQGWPCWCPLU-WDEREUQCSA-N 1 2 292.301 1.168 20 30 CDEDLO C#CCN(CC#CC)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000490687201 332103831 /nfs/dbraw/zinc/10/38/31/332103831.db2.gz AGMRGZIWQDGSGK-UHFFFAOYSA-N 1 2 277.327 1.971 20 30 CDEDLO C#CCN(CC#N)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000491019739 332139352 /nfs/dbraw/zinc/13/93/52/332139352.db2.gz CCNZNFZPXSAVDX-YVMONPNESA-N 1 2 290.326 1.871 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1ccncc1)Cc1ccccc1 ZINC000491209206 332165994 /nfs/dbraw/zinc/16/59/94/332165994.db2.gz CXFSYJAWYYZMNQ-UHFFFAOYSA-N 1 2 279.343 1.577 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1ccncc1)Cc1ccccc1 ZINC000491209206 332165995 /nfs/dbraw/zinc/16/59/95/332165995.db2.gz CXFSYJAWYYZMNQ-UHFFFAOYSA-N 1 2 279.343 1.577 20 30 CDEDLO C#CCn1ccc(CN(CC)C(=O)CCn2cc[nH+]c2)n1 ZINC000491279709 332180537 /nfs/dbraw/zinc/18/05/37/332180537.db2.gz ZWBJTWBCMNCJFG-UHFFFAOYSA-N 1 2 285.351 1.152 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)NC(C(C)C)(C(C)C)C1=O ZINC000491326164 332190305 /nfs/dbraw/zinc/19/03/05/332190305.db2.gz KQISWMKCZUPBRZ-GFCCVEGCSA-N 1 2 279.384 1.500 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)NC(C(C)C)(C(C)C)C1=O ZINC000491326164 332190307 /nfs/dbraw/zinc/19/03/07/332190307.db2.gz KQISWMKCZUPBRZ-GFCCVEGCSA-N 1 2 279.384 1.500 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1nc2c(s1)CCC2 ZINC000491454217 332215062 /nfs/dbraw/zinc/21/50/62/332215062.db2.gz WZHDGMUNQMXYJE-SECBINFHSA-N 1 2 263.366 1.524 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1nc2c(s1)CCC2 ZINC000491454217 332215063 /nfs/dbraw/zinc/21/50/63/332215063.db2.gz WZHDGMUNQMXYJE-SECBINFHSA-N 1 2 263.366 1.524 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cccnc2C)n1 ZINC000491473153 332217463 /nfs/dbraw/zinc/21/74/63/332217463.db2.gz BFNDQUSOZZOQBG-UHFFFAOYSA-N 1 2 298.390 1.868 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cccnc2C)n1 ZINC000491473153 332217465 /nfs/dbraw/zinc/21/74/65/332217465.db2.gz BFNDQUSOZZOQBG-UHFFFAOYSA-N 1 2 298.390 1.868 20 30 CDEDLO C#C[C@@H](CC)NC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000491496766 332223234 /nfs/dbraw/zinc/22/32/34/332223234.db2.gz SVLBJDSGEZYWNE-LBPRGKRZSA-N 1 2 270.336 1.854 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)CC[C@H](CC(C)C)C1=O ZINC000491523264 332228884 /nfs/dbraw/zinc/22/88/84/332228884.db2.gz CQBMVZKOCUCXGP-QWHCGFSZSA-N 1 2 264.369 1.709 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)CC[C@H](CC(C)C)C1=O ZINC000491523264 332228886 /nfs/dbraw/zinc/22/88/86/332228886.db2.gz CQBMVZKOCUCXGP-QWHCGFSZSA-N 1 2 264.369 1.709 20 30 CDEDLO C#C[C@H](CCC)NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000491632702 332254673 /nfs/dbraw/zinc/25/46/73/332254673.db2.gz QFANAQWWDBJOHL-GFCCVEGCSA-N 1 2 270.336 1.935 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)N(C)c1ccccc1 ZINC000491665472 332274161 /nfs/dbraw/zinc/27/41/61/332274161.db2.gz RZCYUUGYQAKJEH-AWEZNQCLSA-N 1 2 272.348 1.374 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)N(C)c1ccccc1 ZINC000491665472 332274162 /nfs/dbraw/zinc/27/41/62/332274162.db2.gz RZCYUUGYQAKJEH-AWEZNQCLSA-N 1 2 272.348 1.374 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CCCS(=O)(=O)c1ccc(F)cc1 ZINC000491792244 332352938 /nfs/dbraw/zinc/35/29/38/332352938.db2.gz DJZXKABMTXJTAJ-LBPRGKRZSA-N 1 2 283.368 1.943 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CCCS(=O)(=O)c1ccc(F)cc1 ZINC000491792244 332352940 /nfs/dbraw/zinc/35/29/40/332352940.db2.gz DJZXKABMTXJTAJ-LBPRGKRZSA-N 1 2 283.368 1.943 20 30 CDEDLO CC(C)c1nnc(/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C)o1 ZINC000493489129 332442193 /nfs/dbraw/zinc/44/21/93/332442193.db2.gz UZISSTAZFFPXGT-UZYOAWRESA-N 1 2 291.355 1.166 20 30 CDEDLO CC(C)[C@@H](C=[NH+]n1ccnn1)CNC(=O)OC(C)(C)C ZINC000496383673 332548048 /nfs/dbraw/zinc/54/80/48/332548048.db2.gz XKROEHPJQXZLOW-LLVKDONJSA-N 1 2 281.360 1.909 20 30 CDEDLO C=CCn1cc(CNC(=O)Nc2ccc(C)[nH+]c2C)nn1 ZINC000521229427 333115828 /nfs/dbraw/zinc/11/58/28/333115828.db2.gz OKFRXQOFDXWBME-UHFFFAOYSA-N 1 2 286.339 1.798 20 30 CDEDLO CC#CCN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000525119705 333399354 /nfs/dbraw/zinc/39/93/54/333399354.db2.gz COYQKUVMXKGBDM-UHFFFAOYSA-N 1 2 286.375 1.599 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC[C@@H](C#N)CCC#N)C(C)(C)CO ZINC000580773933 335158588 /nfs/dbraw/zinc/15/85/88/335158588.db2.gz JRPWQXKHBPEMQX-CHWSQXEVSA-N 1 2 289.383 1.513 20 30 CDEDLO C[C@@H](C#N)C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000566117811 334624787 /nfs/dbraw/zinc/62/47/87/334624787.db2.gz UTOLQLZDYNJRDF-NSHDSACASA-N 1 2 277.349 1.081 20 30 CDEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccc1F ZINC000567052738 334676899 /nfs/dbraw/zinc/67/68/99/334676899.db2.gz IODKNPBPROCRPH-CQSZACIVSA-N 1 2 263.316 1.708 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CCc2ccccc2C1 ZINC000568888831 334845566 /nfs/dbraw/zinc/84/55/66/334845566.db2.gz FUVXLZJWVIFARN-RDJZCZTQSA-N 1 2 285.391 1.752 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000577293974 335336706 /nfs/dbraw/zinc/33/67/06/335336706.db2.gz LAKRJYAFMYCYPH-SCRDCRAPSA-N 1 2 277.368 1.686 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000577293974 335336707 /nfs/dbraw/zinc/33/67/07/335336707.db2.gz LAKRJYAFMYCYPH-SCRDCRAPSA-N 1 2 277.368 1.686 20 30 CDEDLO N#CC1(CNC(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000578311402 335600015 /nfs/dbraw/zinc/60/00/15/335600015.db2.gz BTZRHHNFUFUBOS-UHFFFAOYSA-N 1 2 255.281 1.760 20 30 CDEDLO CC(C)C[C@@H](C)OCCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000578326754 335610752 /nfs/dbraw/zinc/61/07/52/335610752.db2.gz DKERIKZKPNISKQ-HIFRSBDPSA-N 1 2 283.416 1.788 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(-c2ccccc2)on1 ZINC000581491740 336089074 /nfs/dbraw/zinc/08/90/74/336089074.db2.gz GGPGSKRRKONKHS-INIZCTEOSA-N 1 2 298.346 1.915 20 30 CDEDLO COCC#CC[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000677133225 482542106 /nfs/dbraw/zinc/54/21/06/482542106.db2.gz NQDRLLUEWHLVAI-UHFFFAOYSA-N 1 2 282.281 1.154 20 30 CDEDLO COCC#CC[NH+]1CCN(c2ccc(F)c(OC)c2)CC1 ZINC000670096176 482772112 /nfs/dbraw/zinc/77/21/12/482772112.db2.gz WCLNSZAJWRUEAI-UHFFFAOYSA-N 1 2 292.354 1.606 20 30 CDEDLO C=CCNC(=O)C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000675027054 483209898 /nfs/dbraw/zinc/20/98/98/483209898.db2.gz YBOVLNUWDUGQTE-UHFFFAOYSA-N 1 2 270.336 1.264 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OC)nc1 ZINC000676720878 483576014 /nfs/dbraw/zinc/57/60/14/483576014.db2.gz BFZJUPZYKVENKS-NSHDSACASA-N 1 2 263.341 1.213 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1ccc(OC)nc1 ZINC000676720878 483576019 /nfs/dbraw/zinc/57/60/19/483576019.db2.gz BFZJUPZYKVENKS-NSHDSACASA-N 1 2 263.341 1.213 20 30 CDEDLO C=CCOCC(=O)N[C@H](C)CCNc1cc[nH+]c(C)n1 ZINC001106242279 1161138434 /nfs/dbraw/zinc/13/84/34/1161138434.db2.gz DOAJKUZCQAWFJV-LLVKDONJSA-N 1 2 278.356 1.294 20 30 CDEDLO Cc1nc(N[C@@H](C)[C@H](C)NC(=O)C#CC2CC2)cc[nH+]1 ZINC001113036274 1162081556 /nfs/dbraw/zinc/08/15/56/1162081556.db2.gz MZLNUSUIMQLUEB-QWRGUYRKSA-N 1 2 272.352 1.504 20 30 CDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cccc(C)c2)CC1 ZINC000049443123 518248714 /nfs/dbraw/zinc/24/87/14/518248714.db2.gz INNBCIWZNYEBLW-UHFFFAOYSA-N 1 2 292.404 1.325 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2cccc(OC)c2OC)CC1 ZINC000068468677 518270487 /nfs/dbraw/zinc/27/04/87/518270487.db2.gz QXJQHJACUIZTIH-UHFFFAOYSA-N 1 2 288.347 1.095 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH2+][C@@H](COC)c1ccc(CC)o1 ZINC000184811418 518284559 /nfs/dbraw/zinc/28/45/59/518284559.db2.gz DJMROQIQDGKOHI-AAEUAGOBSA-N 1 2 278.352 1.257 20 30 CDEDLO C#CCOc1ccc([C@H](C)[NH2+]CC(F)(F)CO)cc1 ZINC000184702204 518329740 /nfs/dbraw/zinc/32/97/40/518329740.db2.gz LYNQBLMCQATMGB-NSHDSACASA-N 1 2 269.291 1.977 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](CCO)CCOC)c1C ZINC000267345845 534431196 /nfs/dbraw/zinc/43/11/96/534431196.db2.gz TVKMZFYNJQXSFX-UHFFFAOYSA-N 1 2 294.395 1.414 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@H+](CCO)CCOC)c1C ZINC000267345845 534431200 /nfs/dbraw/zinc/43/12/00/534431200.db2.gz TVKMZFYNJQXSFX-UHFFFAOYSA-N 1 2 294.395 1.414 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000277501901 522035095 /nfs/dbraw/zinc/03/50/95/522035095.db2.gz PLOCYLRTCLNJHF-ODXCJYRJSA-N 1 2 292.404 1.767 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000277501901 522035103 /nfs/dbraw/zinc/03/51/03/522035103.db2.gz PLOCYLRTCLNJHF-ODXCJYRJSA-N 1 2 292.404 1.767 20 30 CDEDLO C=CCCC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000264000534 534606557 /nfs/dbraw/zinc/60/65/57/534606557.db2.gz QZCLVDGOVHIZIT-UHFFFAOYSA-N 1 2 259.353 1.692 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)c1ncc(C#N)cc1Cl ZINC000339433063 523594321 /nfs/dbraw/zinc/59/43/21/523594321.db2.gz IZKZGPJVYWSBRM-UHFFFAOYSA-N 1 2 289.726 1.612 20 30 CDEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CC(=O)Nc2ccccc21 ZINC000331817328 534750031 /nfs/dbraw/zinc/75/00/31/534750031.db2.gz XCUNLWACPKWXLD-VXGBXAGGSA-N 1 2 298.346 1.254 20 30 CDEDLO N#Cc1c(F)cccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000189396672 534763274 /nfs/dbraw/zinc/76/32/74/534763274.db2.gz GYNQZNBUZRSCQH-UHFFFAOYSA-N 1 2 258.256 1.393 20 30 CDEDLO C=CC[N@H+](Cc1cccs1)Cc1nc(=O)n(C)[nH]1 ZINC000347394657 526377894 /nfs/dbraw/zinc/37/78/94/526377894.db2.gz QBVJSSKCPNOOKC-UHFFFAOYSA-N 1 2 264.354 1.358 20 30 CDEDLO C=CC[N@@H+](Cc1cccs1)Cc1nc(=O)n(C)[nH]1 ZINC000347394657 526377897 /nfs/dbraw/zinc/37/78/97/526377897.db2.gz QBVJSSKCPNOOKC-UHFFFAOYSA-N 1 2 264.354 1.358 20 30 CDEDLO C=CC[NH+]1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000112705792 526455586 /nfs/dbraw/zinc/45/55/86/526455586.db2.gz VUYBFWJRXKVKRO-INIZCTEOSA-N 1 2 285.391 1.596 20 30 CDEDLO C=CCN1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000112705792 526455591 /nfs/dbraw/zinc/45/55/91/526455591.db2.gz VUYBFWJRXKVKRO-INIZCTEOSA-N 1 2 285.391 1.596 20 30 CDEDLO C=CCOCCCC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000347976375 526740357 /nfs/dbraw/zinc/74/03/57/526740357.db2.gz WFFOBCWPWVICOH-NSHDSACASA-N 1 2 251.330 1.960 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000343775042 527050466 /nfs/dbraw/zinc/05/04/66/527050466.db2.gz UDBGMHIAVLZGQV-HUUCEWRRSA-N 1 2 280.412 1.958 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000343775042 527050471 /nfs/dbraw/zinc/05/04/71/527050471.db2.gz UDBGMHIAVLZGQV-HUUCEWRRSA-N 1 2 280.412 1.958 20 30 CDEDLO C=CC[C@H](C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000345011046 527129132 /nfs/dbraw/zinc/12/91/32/527129132.db2.gz KGOOEVWLISUSRQ-MJBXVCDLSA-N 1 2 281.400 1.456 20 30 CDEDLO COc1ccccc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115595110 537048930 /nfs/dbraw/zinc/04/89/30/537048930.db2.gz NNJULKTYBUDKIL-INIZCTEOSA-N 1 2 295.342 1.883 20 30 CDEDLO N#CCC1(CNC(=O)NCc2ccc[nH+]c2N)CC1 ZINC001681956000 1174599364 /nfs/dbraw/zinc/59/93/64/1174599364.db2.gz KPXJOMAETBVSGW-UHFFFAOYSA-N 1 2 259.313 1.157 20 30 CDEDLO CC(=NN1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000727779555 574598690 /nfs/dbraw/zinc/59/86/90/574598690.db2.gz JLQTVXQEZAQFAX-UHFFFAOYSA-N 1 2 251.305 1.503 20 30 CDEDLO C#Cc1cccc(NC(=O)NCc2[nH+]ccn2C)c1 ZINC000728685232 574641597 /nfs/dbraw/zinc/64/15/97/574641597.db2.gz FTIFDKXKULBREQ-UHFFFAOYSA-N 1 2 254.293 1.723 20 30 CDEDLO CN(C)C(=S)NN=C1CC[N@H+](Cc2ccccc2)C1 ZINC000731562719 575054024 /nfs/dbraw/zinc/05/40/24/575054024.db2.gz HZQMLXIDLXMYII-UHFFFAOYSA-N 1 2 276.409 1.684 20 30 CDEDLO CN(C)C(=S)NN=C1CC[N@@H+](Cc2ccccc2)C1 ZINC000731562719 575054026 /nfs/dbraw/zinc/05/40/26/575054026.db2.gz HZQMLXIDLXMYII-UHFFFAOYSA-N 1 2 276.409 1.684 20 30 CDEDLO C=CCn1nnn(C[NH+]2CCC(C=C)CC2)c1=S ZINC000732181574 575082270 /nfs/dbraw/zinc/08/22/70/575082270.db2.gz ZWYUEILIHFLTMC-UHFFFAOYSA-N 1 2 265.386 1.851 20 30 CDEDLO C=CCn1nnn(C[N@@H+](C)C2CCC(OC)CC2)c1=S ZINC000734477355 575350559 /nfs/dbraw/zinc/35/05/59/575350559.db2.gz OFIVXDCKNQYLFV-UHFFFAOYSA-N 1 2 297.428 1.842 20 30 CDEDLO C=CCn1nnn(C[N@H+](C)C2CCC(OC)CC2)c1=S ZINC000734477355 575350560 /nfs/dbraw/zinc/35/05/60/575350560.db2.gz OFIVXDCKNQYLFV-UHFFFAOYSA-N 1 2 297.428 1.842 20 30 CDEDLO NC(=[NH+]OC[C@@H]1CCCOC1)c1ccc(F)cc1 ZINC000769876875 575394533 /nfs/dbraw/zinc/39/45/33/575394533.db2.gz HJCQOFZOAYZAPI-SNVBAGLBSA-N 1 2 252.289 1.889 20 30 CDEDLO NC(=O)CO[NH+]=Cc1ccc(N2CCCCC2)s1 ZINC000771574511 575592122 /nfs/dbraw/zinc/59/21/22/575592122.db2.gz HWJWNLJTKAVWOT-UHFFFAOYSA-N 1 2 267.354 1.574 20 30 CDEDLO C#C[C@@H](Nc1cc(-n2cc[nH+]c2)ncn1)[C@@H]1CCCO1 ZINC000772255800 575677287 /nfs/dbraw/zinc/67/72/87/575677287.db2.gz LEVLWPSLOGZTDA-NEPJUHHUSA-N 1 2 269.308 1.255 20 30 CDEDLO C#C[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)[C@@H]1CCCO1 ZINC000773548222 575823258 /nfs/dbraw/zinc/82/32/58/575823258.db2.gz LMRPVVIREWAHQW-KGLIPLIRSA-N 1 2 298.346 1.314 20 30 CDEDLO FC(F)(F)CO[NH+]=Cc1cnc(N2CCCC2)nc1 ZINC000764844973 575951504 /nfs/dbraw/zinc/95/15/04/575951504.db2.gz OKCJFBQHHDCKTN-UHFFFAOYSA-N 1 2 274.246 1.990 20 30 CDEDLO C=CCCOCC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000768138072 576260192 /nfs/dbraw/zinc/26/01/92/576260192.db2.gz JLNXZHLCILOWNK-CYBMUJFWSA-N 1 2 277.368 1.719 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)[C@H](F)c2ccccc2)CC1 ZINC000769371071 576349673 /nfs/dbraw/zinc/34/96/73/576349673.db2.gz MXSQNCZQRYGHON-CQSZACIVSA-N 1 2 260.312 1.475 20 30 CDEDLO CC(C)C[N@H+](CCC#N)CC(=O)N(C)CC(F)(F)F ZINC000739914736 576397350 /nfs/dbraw/zinc/39/73/50/576397350.db2.gz OCIUMTJOTQIEJW-UHFFFAOYSA-N 1 2 279.306 1.879 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)CC(=O)N(C)CC(F)(F)F ZINC000739914736 576397351 /nfs/dbraw/zinc/39/73/51/576397351.db2.gz OCIUMTJOTQIEJW-UHFFFAOYSA-N 1 2 279.306 1.879 20 30 CDEDLO C#CCOCCOC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000761012106 576534490 /nfs/dbraw/zinc/53/44/90/576534490.db2.gz SKXNVMQGGGLKRT-AWEZNQCLSA-N 1 2 287.359 1.626 20 30 CDEDLO C#CCOCCOC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000761012106 576534491 /nfs/dbraw/zinc/53/44/91/576534491.db2.gz SKXNVMQGGGLKRT-AWEZNQCLSA-N 1 2 287.359 1.626 20 30 CDEDLO C[C@H](C#N)OC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741354262 576553785 /nfs/dbraw/zinc/55/37/85/576553785.db2.gz NLJIIJGWHNOSNZ-HIFRSBDPSA-N 1 2 288.347 1.733 20 30 CDEDLO C[C@H](C#N)OC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741354262 576553787 /nfs/dbraw/zinc/55/37/87/576553787.db2.gz NLJIIJGWHNOSNZ-HIFRSBDPSA-N 1 2 288.347 1.733 20 30 CDEDLO C[C@@H]1CC(=NNc2cnnc(O)c2Cl)C[N@@H+]1C ZINC000761804875 576594035 /nfs/dbraw/zinc/59/40/35/576594035.db2.gz TZWQWWAGKWXGOP-ZCFIWIBFSA-N 1 2 255.709 1.328 20 30 CDEDLO C[C@@H]1CC(=NNc2cnnc(O)c2Cl)C[N@H+]1C ZINC000761804875 576594036 /nfs/dbraw/zinc/59/40/36/576594036.db2.gz TZWQWWAGKWXGOP-ZCFIWIBFSA-N 1 2 255.709 1.328 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2ccsc2)CC1 ZINC000744423010 576680052 /nfs/dbraw/zinc/68/00/52/576680052.db2.gz RAPYHWSOBVCWQC-ONEGZZNKSA-N 1 2 260.362 1.539 20 30 CDEDLO C[C@@H]1CC(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)=NO1 ZINC000763261327 576727216 /nfs/dbraw/zinc/72/72/16/576727216.db2.gz WMHVKYLCOXCFLI-SNVBAGLBSA-N 1 2 270.292 1.724 20 30 CDEDLO CC1N=NC(=S)N1N=C1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000753956219 576869565 /nfs/dbraw/zinc/86/95/65/576869565.db2.gz VWUITBXGEXEKEJ-SSDOTTSWSA-N 1 2 251.359 1.336 20 30 CDEDLO CC1N=NC(=S)N1N=C1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000753956219 576869566 /nfs/dbraw/zinc/86/95/66/576869566.db2.gz VWUITBXGEXEKEJ-SSDOTTSWSA-N 1 2 251.359 1.336 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CN2CCc3cccc(C)c32)CC1 ZINC000748813115 576926444 /nfs/dbraw/zinc/92/64/44/576926444.db2.gz ILKWMCZXNOGARP-UHFFFAOYSA-N 1 2 297.402 1.135 20 30 CDEDLO Cc1cccn2c(CN=Nc3cnccn3)c[nH+]c12 ZINC000755633300 576952970 /nfs/dbraw/zinc/95/29/70/576952970.db2.gz CKXGYALOKPPLNN-UHFFFAOYSA-N 1 2 252.281 1.879 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@H+](CCC#N)CC(C)C ZINC000755671650 576954534 /nfs/dbraw/zinc/95/45/34/576954534.db2.gz ZJQQXYXUPFKDFN-UHFFFAOYSA-N 1 2 282.388 1.484 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@@H+](CCC#N)CC(C)C ZINC000755671650 576954536 /nfs/dbraw/zinc/95/45/36/576954536.db2.gz ZJQQXYXUPFKDFN-UHFFFAOYSA-N 1 2 282.388 1.484 20 30 CDEDLO Cc1cccn2c(C=NNC3CCOCC3)c[nH+]c12 ZINC000755769886 576960180 /nfs/dbraw/zinc/96/01/80/576960180.db2.gz PYZPTXPSBPOZCA-UHFFFAOYSA-N 1 2 258.325 1.745 20 30 CDEDLO COC(=O)c1cccc(CO[NH+]=C(N)[C@H](C)OC)c1C#N ZINC000755817359 576962845 /nfs/dbraw/zinc/96/28/45/576962845.db2.gz KHJDWZBNCXZJBA-VIFPVBQESA-N 1 2 291.307 1.378 20 30 CDEDLO C(=[NH+]O[C@H]1CCCCO1)c1cnc(N2CCOCC2)s1 ZINC000755819737 576963318 /nfs/dbraw/zinc/96/33/18/576963318.db2.gz VGNXUIFVKXPDAA-LBPRGKRZSA-N 1 2 297.380 1.857 20 30 CDEDLO COCC#CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000757651531 577048502 /nfs/dbraw/zinc/04/85/02/577048502.db2.gz IHWQBGMKYBJKGQ-UHFFFAOYSA-N 1 2 268.357 1.189 20 30 CDEDLO CCN1CC[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1=O ZINC000758016012 577067600 /nfs/dbraw/zinc/06/76/00/577067600.db2.gz SSIGXNHOQGRAFZ-ZDUSSCGKSA-N 1 2 287.363 1.642 20 30 CDEDLO CCN1CC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1=O ZINC000758016012 577067602 /nfs/dbraw/zinc/06/76/02/577067602.db2.gz SSIGXNHOQGRAFZ-ZDUSSCGKSA-N 1 2 287.363 1.642 20 30 CDEDLO CC(=[NH+]Nc1nc2[nH][nH]cc-2c(=O)n1)c1ccc(N)cc1C ZINC000758110031 577072260 /nfs/dbraw/zinc/07/22/60/577072260.db2.gz LQEALQFPGJDXKO-UHFFFAOYSA-N 1 2 297.322 1.159 20 30 CDEDLO CC[N@H+](C[C@H]1CCCO1)Cn1ccc(C)c(C#N)c1=O ZINC000758199858 577080803 /nfs/dbraw/zinc/08/08/03/577080803.db2.gz UTMHCUPDYREWBD-CYBMUJFWSA-N 1 2 275.352 1.487 20 30 CDEDLO CC[N@@H+](C[C@H]1CCCO1)Cn1ccc(C)c(C#N)c1=O ZINC000758199858 577080805 /nfs/dbraw/zinc/08/08/05/577080805.db2.gz UTMHCUPDYREWBD-CYBMUJFWSA-N 1 2 275.352 1.487 20 30 CDEDLO C#CCNC(=S)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000758244624 577089622 /nfs/dbraw/zinc/08/96/22/577089622.db2.gz SORSIAWAJKTSHU-NEPJUHHUSA-N 1 2 262.382 1.274 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)N2CCC[C@](C)(C#N)C2)CCO1 ZINC000753145684 577149082 /nfs/dbraw/zinc/14/90/82/577149082.db2.gz AHMQFUDJVLREKT-UKRRQHHQSA-N 1 2 294.399 1.042 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCC[C@](C)(C#N)C2)CCO1 ZINC000753145684 577149083 /nfs/dbraw/zinc/14/90/83/577149083.db2.gz AHMQFUDJVLREKT-UKRRQHHQSA-N 1 2 294.399 1.042 20 30 CDEDLO C=CC[C@@H](CO)CNc1[nH+]ccc(C)c1-c1nn[nH]n1 ZINC000823887973 609584981 /nfs/dbraw/zinc/58/49/81/609584981.db2.gz CFADLAIGDBEOTB-SNVBAGLBSA-N 1 2 274.328 1.167 20 30 CDEDLO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000972407245 613093745 /nfs/dbraw/zinc/09/37/45/613093745.db2.gz CAHTUQAZYUEKOA-LBPRGKRZSA-N 1 2 272.352 1.067 20 30 CDEDLO C#CC[N@H+](C)[C@H]1CCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000972407245 613093746 /nfs/dbraw/zinc/09/37/46/613093746.db2.gz CAHTUQAZYUEKOA-LBPRGKRZSA-N 1 2 272.352 1.067 20 30 CDEDLO C#CC[N@H+]1CCCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC000981783793 613142965 /nfs/dbraw/zinc/14/29/65/613142965.db2.gz FIACZXPZKKGRGF-JTQLQIEISA-N 1 2 292.276 1.444 20 30 CDEDLO C#CC[N@@H+]1CCCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC000981783793 613142967 /nfs/dbraw/zinc/14/29/67/613142967.db2.gz FIACZXPZKKGRGF-JTQLQIEISA-N 1 2 292.276 1.444 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2nccs2)C1 ZINC000968467659 613250624 /nfs/dbraw/zinc/25/06/24/613250624.db2.gz GJJRGRZKFFCEAW-QWRGUYRKSA-N 1 2 263.366 1.217 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2nccs2)C1 ZINC000968467659 613250625 /nfs/dbraw/zinc/25/06/25/613250625.db2.gz GJJRGRZKFFCEAW-QWRGUYRKSA-N 1 2 263.366 1.217 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2scnc2C)C1 ZINC000965184566 613256159 /nfs/dbraw/zinc/25/61/59/613256159.db2.gz VJQCGSNRWXFXLJ-CMPLNLGQSA-N 1 2 277.393 1.525 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2scnc2C)C1 ZINC000965184566 613256160 /nfs/dbraw/zinc/25/61/60/613256160.db2.gz VJQCGSNRWXFXLJ-CMPLNLGQSA-N 1 2 277.393 1.525 20 30 CDEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccon1 ZINC000948893858 613279824 /nfs/dbraw/zinc/27/98/24/613279824.db2.gz FVRMXUOOHYYBCT-INIZCTEOSA-N 1 2 295.342 1.637 20 30 CDEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccon1 ZINC000948893858 613279825 /nfs/dbraw/zinc/27/98/25/613279825.db2.gz FVRMXUOOHYYBCT-INIZCTEOSA-N 1 2 295.342 1.637 20 30 CDEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC000948985468 613279909 /nfs/dbraw/zinc/27/99/09/613279909.db2.gz DYXJSBRRLAWDTI-DLBZAZTESA-N 1 2 298.386 1.514 20 30 CDEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC000948985468 613279910 /nfs/dbraw/zinc/27/99/10/613279910.db2.gz DYXJSBRRLAWDTI-DLBZAZTESA-N 1 2 298.386 1.514 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCOC[C@@H]2C)C1 ZINC000951700899 613294795 /nfs/dbraw/zinc/29/47/95/613294795.db2.gz OPGSNTXQCXLYPR-DZGCQCFKSA-N 1 2 280.412 1.768 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2nccn2CC)C1 ZINC000949974571 613298190 /nfs/dbraw/zinc/29/81/90/613298190.db2.gz NFJAEQSSJDXBGI-UHFFFAOYSA-N 1 2 276.384 1.625 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc3[nH]ccc3n2)CC1 ZINC000949277478 613320909 /nfs/dbraw/zinc/32/09/09/613320909.db2.gz QPGUNAKZMKNSGU-UHFFFAOYSA-N 1 2 284.363 1.897 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnn3c2CCCC3)CC1 ZINC000957080981 613321930 /nfs/dbraw/zinc/32/19/30/613321930.db2.gz HLFBOQGXEPCOKA-UHFFFAOYSA-N 1 2 288.395 1.553 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cnon1 ZINC000969085140 613372866 /nfs/dbraw/zinc/37/28/66/613372866.db2.gz NUVROONIQGUIAE-LLVKDONJSA-N 1 2 298.774 1.797 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1cnon1 ZINC000969085140 613372867 /nfs/dbraw/zinc/37/28/67/613372867.db2.gz NUVROONIQGUIAE-LLVKDONJSA-N 1 2 298.774 1.797 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2nccs2)CC1 ZINC000982488205 613557010 /nfs/dbraw/zinc/55/70/10/613557010.db2.gz WFZCBKUOHYKHBV-UHFFFAOYSA-N 1 2 263.366 1.314 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2nccs2)CC1 ZINC000982488205 613557013 /nfs/dbraw/zinc/55/70/13/613557013.db2.gz WFZCBKUOHYKHBV-UHFFFAOYSA-N 1 2 263.366 1.314 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CC(C2CC2)C2CC2)CC1 ZINC000957798527 613561736 /nfs/dbraw/zinc/56/17/36/613561736.db2.gz CCHQRFQSDBEMTO-UHFFFAOYSA-N 1 2 274.408 1.980 20 30 CDEDLO Cc1nsc(N(C)C(=O)CCCn2cc[nH+]c2)c1C#N ZINC000891433341 617391647 /nfs/dbraw/zinc/39/16/47/617391647.db2.gz STAWVLCMHFOZCH-UHFFFAOYSA-N 1 2 289.364 1.963 20 30 CDEDLO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971570060 613616385 /nfs/dbraw/zinc/61/63/85/613616385.db2.gz GWSXWBFQXWQRII-BDAKNGLRSA-N 1 2 268.254 1.606 20 30 CDEDLO C=CC[N@H+](C)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971570060 613616386 /nfs/dbraw/zinc/61/63/86/613616386.db2.gz GWSXWBFQXWQRII-BDAKNGLRSA-N 1 2 268.254 1.606 20 30 CDEDLO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000971570060 613616387 /nfs/dbraw/zinc/61/63/87/613616387.db2.gz GWSXWBFQXWQRII-BDAKNGLRSA-N 1 2 268.254 1.606 20 30 CDEDLO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000971570060 613616388 /nfs/dbraw/zinc/61/63/88/613616388.db2.gz GWSXWBFQXWQRII-BDAKNGLRSA-N 1 2 268.254 1.606 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCc3cccnc32)C1 ZINC000951549914 613654183 /nfs/dbraw/zinc/65/41/83/613654183.db2.gz GCJLKXATJTVVOP-OAHLLOKOSA-N 1 2 285.391 1.830 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000950923894 613654839 /nfs/dbraw/zinc/65/48/39/613654839.db2.gz MGUUSKXINKAPEH-SEBNEYGDSA-N 1 2 276.380 1.129 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@@H]2OC)C1 ZINC000950666880 613655376 /nfs/dbraw/zinc/65/53/76/613655376.db2.gz KABSRLZGFVLCAV-KBPBESRZSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCO[C@@H](CC)C2)C1 ZINC000957101239 613655460 /nfs/dbraw/zinc/65/54/60/613655460.db2.gz MVZYYLATAOMFCT-ZFWWWQNUSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2c(C)cc(=O)oc2C)C1 ZINC000950821850 613655905 /nfs/dbraw/zinc/65/59/05/613655905.db2.gz QSFHFZVHHUYPGS-UHFFFAOYSA-N 1 2 290.363 1.589 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@H](C)n2cccn2)CC1 ZINC000957112570 613708780 /nfs/dbraw/zinc/70/87/80/613708780.db2.gz DYNACCQSKASPSM-ZDUSSCGKSA-N 1 2 262.357 1.164 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c(C)nc3ccnn3c2C)CC1 ZINC000948996058 613714064 /nfs/dbraw/zinc/71/40/64/613714064.db2.gz DEWVGKMKAHCBFF-UHFFFAOYSA-N 1 2 299.378 1.290 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c(CC)ncnc2CC)CC1 ZINC000950561401 613714146 /nfs/dbraw/zinc/71/41/46/613714146.db2.gz BSBAMOQNBKQQJT-UHFFFAOYSA-N 1 2 288.395 1.545 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2nn(C)c3c2CCCC3)CC1 ZINC000950630791 613719112 /nfs/dbraw/zinc/71/91/12/613719112.db2.gz KMKYFGQOQIYQJB-UHFFFAOYSA-N 1 2 288.395 1.243 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCC3CC3)C2)C1 ZINC000972303991 613725451 /nfs/dbraw/zinc/72/54/51/613725451.db2.gz KAPLFMYNNHSBBA-MRXNPFEDSA-N 1 2 278.396 1.666 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CCC3CC3)C2)C1 ZINC000972303991 613725453 /nfs/dbraw/zinc/72/54/53/613725453.db2.gz KAPLFMYNNHSBBA-MRXNPFEDSA-N 1 2 278.396 1.666 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC34CCC4)C2)C1 ZINC000972576139 613726871 /nfs/dbraw/zinc/72/68/71/613726871.db2.gz AIOSOLZMYZOERV-RHSMWYFYSA-N 1 2 290.407 1.666 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC34CCC4)C2)C1 ZINC000972576139 613726872 /nfs/dbraw/zinc/72/68/72/613726872.db2.gz AIOSOLZMYZOERV-RHSMWYFYSA-N 1 2 290.407 1.666 20 30 CDEDLO CCN(C(=O)c1cccc2[nH+]ccn21)C1CN(CC#N)C1 ZINC000950865377 614738271 /nfs/dbraw/zinc/73/82/71/614738271.db2.gz IWHSHWNZKLKJNC-UHFFFAOYSA-N 1 2 283.335 1.004 20 30 CDEDLO N#CCN1CC[NH+](Cc2nccc3c2CCCC3)CC1 ZINC000891902015 617744543 /nfs/dbraw/zinc/74/45/43/617744543.db2.gz MCOXDHFMELRRCE-UHFFFAOYSA-N 1 2 270.380 1.602 20 30 CDEDLO NC(=[NH+]OCCOC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000782312095 618141347 /nfs/dbraw/zinc/14/13/47/618141347.db2.gz AAJAMTULSHBBEX-ZDUSSCGKSA-N 1 2 282.315 1.658 20 30 CDEDLO Cc1n[nH]c(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1C ZINC000893918432 618176406 /nfs/dbraw/zinc/17/64/06/618176406.db2.gz KDEJASHVOIVURO-UHFFFAOYSA-N 1 2 296.378 1.615 20 30 CDEDLO Cn1c[nH+]c(CCNc2ccc(C#N)cc2CO)c1 ZINC000894151597 618631508 /nfs/dbraw/zinc/63/15/08/618631508.db2.gz RQOZWJPSAKDJIU-UHFFFAOYSA-N 1 2 256.309 1.439 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnn(C)c2C2CC2)C1=O ZINC000894230324 618739366 /nfs/dbraw/zinc/73/93/66/618739366.db2.gz DHBKNFVGXMZWMN-AWEZNQCLSA-N 1 2 288.395 1.516 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnn(C)c2C2CC2)C1=O ZINC000894230324 618739367 /nfs/dbraw/zinc/73/93/67/618739367.db2.gz DHBKNFVGXMZWMN-AWEZNQCLSA-N 1 2 288.395 1.516 20 30 CDEDLO C[C@@H](CC#N)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000895982603 619934810 /nfs/dbraw/zinc/93/48/10/619934810.db2.gz MXLXAPNHPXOPCT-JOYOIKCWSA-N 1 2 261.329 1.208 20 30 CDEDLO C[C@@H](CC#N)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000895982603 619934812 /nfs/dbraw/zinc/93/48/12/619934812.db2.gz MXLXAPNHPXOPCT-JOYOIKCWSA-N 1 2 261.329 1.208 20 30 CDEDLO Cc1[nH]c(CNC(=O)c2ccccc2OCC#N)[nH+]c1C ZINC000896922846 620310731 /nfs/dbraw/zinc/31/07/31/620310731.db2.gz DWLHKBCUUOJEQD-UHFFFAOYSA-N 1 2 284.319 1.859 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H](Cn2cc[nH+]c2)C(=O)OC)CC1 ZINC000897444384 620830006 /nfs/dbraw/zinc/83/00/06/620830006.db2.gz DDKDRSXVVLTNAO-ZDUSSCGKSA-N 1 2 291.351 1.287 20 30 CDEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1cc(CO)on1 ZINC000924698149 621670091 /nfs/dbraw/zinc/67/00/91/621670091.db2.gz CLGTUGFWYUBBKV-SNVBAGLBSA-N 1 2 257.293 1.889 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCCOC2CC2)ccc1F ZINC000902222912 624571215 /nfs/dbraw/zinc/57/12/15/624571215.db2.gz PKBGADWQNHHGQE-UHFFFAOYSA-N 1 2 252.289 1.950 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H](C#N)C1 ZINC000905143251 626655575 /nfs/dbraw/zinc/65/55/75/626655575.db2.gz XNPWQRYFLRILNX-RYUDHWBXSA-N 1 2 261.329 1.217 20 30 CDEDLO C#CCCCCC(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913463284 630495684 /nfs/dbraw/zinc/49/56/84/630495684.db2.gz CLGFTMPZYJMAFE-CQSZACIVSA-N 1 2 274.368 1.087 20 30 CDEDLO CC(C)(C#N)CS(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000914060421 630998379 /nfs/dbraw/zinc/99/83/79/630998379.db2.gz MUDKYHMAGSIVGV-GFCCVEGCSA-N 1 2 296.396 1.400 20 30 CDEDLO CN(C)c1ncc(C=[NH+]OC[C@H]2CCOC2)s1 ZINC000788032476 631589517 /nfs/dbraw/zinc/58/95/17/631589517.db2.gz AJZVGRHLMNZBJP-VIFPVBQESA-N 1 2 255.343 1.596 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](C#N)C1CCCC1 ZINC000921551685 633074217 /nfs/dbraw/zinc/07/42/17/633074217.db2.gz SWXAZJBUSDOZFS-UPJWGTAASA-N 1 2 272.352 1.722 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3ncccn3)C[C@H]21 ZINC001114198861 1162451914 /nfs/dbraw/zinc/45/19/14/1162451914.db2.gz JYXOPFKWJZTRJA-NYTXWWLZSA-N 1 2 298.390 1.388 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3ncccn3)C[C@H]21 ZINC001114198861 1162451917 /nfs/dbraw/zinc/45/19/17/1162451917.db2.gz JYXOPFKWJZTRJA-NYTXWWLZSA-N 1 2 298.390 1.388 20 30 CDEDLO C[N@H+](CCNC(=O)C1(C)CC1)Cc1ccccc1C#N ZINC001480866428 1158469099 /nfs/dbraw/zinc/46/90/99/1158469099.db2.gz CBBCWLVFWITNDG-UHFFFAOYSA-N 1 2 271.364 1.906 20 30 CDEDLO C[N@@H+](CCNC(=O)C1(C)CC1)Cc1ccccc1C#N ZINC001480866428 1158469100 /nfs/dbraw/zinc/46/91/00/1158469100.db2.gz CBBCWLVFWITNDG-UHFFFAOYSA-N 1 2 271.364 1.906 20 30 CDEDLO C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(F)C(F)(F)F ZINC001226366270 1160162760 /nfs/dbraw/zinc/16/27/60/1160162760.db2.gz RMAWXBKGFSCTNG-MXWKQRLJSA-N 1 2 294.292 1.927 20 30 CDEDLO C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](F)C(F)(F)F ZINC001226366270 1160162765 /nfs/dbraw/zinc/16/27/65/1160162765.db2.gz RMAWXBKGFSCTNG-MXWKQRLJSA-N 1 2 294.292 1.927 20 30 CDEDLO C=C(Cl)C[NH2+]Cc1c(Cl)nc(OC)n1C ZINC000308966338 1160273804 /nfs/dbraw/zinc/27/38/04/1160273804.db2.gz VYEOOEICZRSICR-UHFFFAOYSA-N 1 2 250.129 1.924 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)C(=O)C(C)(C)C)CC[C@@H]1C ZINC001131935540 1163124218 /nfs/dbraw/zinc/12/42/18/1163124218.db2.gz VVSFBGOUFRQDGS-NWDGAFQWSA-N 1 2 264.369 1.204 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)C(=O)C(C)(C)C)CC[C@@H]1C ZINC001131935540 1163124219 /nfs/dbraw/zinc/12/42/19/1163124219.db2.gz VVSFBGOUFRQDGS-NWDGAFQWSA-N 1 2 264.369 1.204 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)C23CCC(CC2)C3)CC1 ZINC001113016163 1162072985 /nfs/dbraw/zinc/07/29/85/1162072985.db2.gz XMZNTHKJDSXELY-UHFFFAOYSA-N 1 2 292.423 1.914 20 30 CDEDLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)Nc1ccc(C#N)nc1 ZINC001113083343 1162095992 /nfs/dbraw/zinc/09/59/92/1162095992.db2.gz YTGJWYIWYUPPJR-NWDGAFQWSA-N 1 2 298.350 1.155 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1nc(C)ccc1C#N ZINC001157459555 1162098372 /nfs/dbraw/zinc/09/83/72/1162098372.db2.gz ACVSTNFRBCMOHC-UHFFFAOYSA-N 1 2 255.325 1.985 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1ncc(C#N)cc1F ZINC001157462441 1162100617 /nfs/dbraw/zinc/10/06/17/1162100617.db2.gz IMBWXUWGVCEWRF-UHFFFAOYSA-N 1 2 259.288 1.815 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCCNC(=O)C(C)(C)C)CC1 ZINC001113176700 1162122739 /nfs/dbraw/zinc/12/27/39/1162122739.db2.gz MNTBVBJDNZFHGQ-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[NH+](CCOCC=C)CC2)cc1 ZINC001113179641 1162125767 /nfs/dbraw/zinc/12/57/67/1162125767.db2.gz CUKVNMHMFLJNBE-UHFFFAOYSA-N 1 2 298.386 1.628 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CC[C@H](C)CC)CC1 ZINC001113454389 1162180566 /nfs/dbraw/zinc/18/05/66/1162180566.db2.gz KSAZZANOCGGYBI-CQSZACIVSA-N 1 2 250.386 1.980 20 30 CDEDLO N#CC1(C(=O)NCCCCn2cc[nH+]c2)CCOCC1 ZINC000045109480 1166245113 /nfs/dbraw/zinc/24/51/13/1166245113.db2.gz BVPFLLNLHZFWJP-UHFFFAOYSA-N 1 2 276.340 1.100 20 30 CDEDLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1cccc(C#N)c1 ZINC001155244721 1167108546 /nfs/dbraw/zinc/10/85/46/1167108546.db2.gz JZVLPDBGGGWIFH-JTQLQIEISA-N 1 2 254.293 1.701 20 30 CDEDLO CO[C@@H]1C[NH2+][C@](C)(C(=O)Oc2cccc(OCC#N)c2)C1 ZINC001573960546 1170843660 /nfs/dbraw/zinc/84/36/60/1170843660.db2.gz JQWAQZFNDCUJPS-ZFWWWQNUSA-N 1 2 290.319 1.261 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)NCCc2ccc(F)cc2)CC1 ZINC000243212384 1180526929 /nfs/dbraw/zinc/52/69/29/1180526929.db2.gz KGENKRHKBHVNID-UHFFFAOYSA-N 1 2 291.370 1.881 20 30 CDEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@H](C#N)C2)C1 ZINC000261239721 1181487707 /nfs/dbraw/zinc/48/77/07/1181487707.db2.gz VFQBXDZBPZSNHV-NEPJUHHUSA-N 1 2 265.357 1.841 20 30 CDEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@H](C#N)C2)C1 ZINC000261239721 1181487711 /nfs/dbraw/zinc/48/77/11/1181487711.db2.gz VFQBXDZBPZSNHV-NEPJUHHUSA-N 1 2 265.357 1.841 20 30 CDEDLO C#CC[N@H+](CC)CCCNC(=O)C(F)C(F)(F)F ZINC001752183398 1184832604 /nfs/dbraw/zinc/83/26/04/1184832604.db2.gz JZRHANMGSHGTSY-SECBINFHSA-N 1 2 268.254 1.348 20 30 CDEDLO C#CC[N@@H+](CC)CCCNC(=O)C(F)C(F)(F)F ZINC001752183398 1184832610 /nfs/dbraw/zinc/83/26/10/1184832610.db2.gz JZRHANMGSHGTSY-SECBINFHSA-N 1 2 268.254 1.348 20 30 CDEDLO C#CC[N@H+](CC)CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001752183398 1184832613 /nfs/dbraw/zinc/83/26/13/1184832613.db2.gz JZRHANMGSHGTSY-SECBINFHSA-N 1 2 268.254 1.348 20 30 CDEDLO C#CC[N@@H+](CC)CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001752183398 1184832617 /nfs/dbraw/zinc/83/26/17/1184832617.db2.gz JZRHANMGSHGTSY-SECBINFHSA-N 1 2 268.254 1.348 20 30 CDEDLO C=CCCC(=O)N(C)CC[NH2+][C@@H](C)c1nc(C)no1 ZINC001753174478 1185102692 /nfs/dbraw/zinc/10/26/92/1185102692.db2.gz FTCSUDCBSAUWDP-JTQLQIEISA-N 1 2 266.345 1.453 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001753449513 1185214403 /nfs/dbraw/zinc/21/44/03/1185214403.db2.gz GNNNOOGSUOEDBY-IAGOWNOFSA-N 1 2 299.418 1.455 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001753449513 1185214405 /nfs/dbraw/zinc/21/44/05/1185214405.db2.gz GNNNOOGSUOEDBY-IAGOWNOFSA-N 1 2 299.418 1.455 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C(C)=C2CCC2)C1 ZINC001753648646 1185287903 /nfs/dbraw/zinc/28/79/03/1185287903.db2.gz KRIDAQRNCLOGEN-AWEZNQCLSA-N 1 2 264.369 1.490 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C(C)=C2CCC2)C1 ZINC001753648646 1185287907 /nfs/dbraw/zinc/28/79/07/1185287907.db2.gz KRIDAQRNCLOGEN-AWEZNQCLSA-N 1 2 264.369 1.490 20 30 CDEDLO C#CCC[N@@H+](C)C[C@H](C)NC(=O)C(F)C(F)(F)F ZINC001754308489 1185567449 /nfs/dbraw/zinc/56/74/49/1185567449.db2.gz AOCMYLPQOXDZNY-DTWKUNHWSA-N 1 2 268.254 1.347 20 30 CDEDLO C#CCC[N@H+](C)C[C@H](C)NC(=O)C(F)C(F)(F)F ZINC001754308489 1185567456 /nfs/dbraw/zinc/56/74/56/1185567456.db2.gz AOCMYLPQOXDZNY-DTWKUNHWSA-N 1 2 268.254 1.347 20 30 CDEDLO C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC001754308489 1185567463 /nfs/dbraw/zinc/56/74/63/1185567463.db2.gz AOCMYLPQOXDZNY-DTWKUNHWSA-N 1 2 268.254 1.347 20 30 CDEDLO C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC001754308489 1185567470 /nfs/dbraw/zinc/56/74/70/1185567470.db2.gz AOCMYLPQOXDZNY-DTWKUNHWSA-N 1 2 268.254 1.347 20 30 CDEDLO CC[C@@H](F)C[N@@H+]1CC[C@@H]1CNC(=O)CSCC#N ZINC001754473413 1185631855 /nfs/dbraw/zinc/63/18/55/1185631855.db2.gz JXXGOUWOYNDYMG-GHMZBOCLSA-N 1 2 273.377 1.182 20 30 CDEDLO CC[C@@H](F)C[N@H+]1CC[C@@H]1CNC(=O)CSCC#N ZINC001754473413 1185631860 /nfs/dbraw/zinc/63/18/60/1185631860.db2.gz JXXGOUWOYNDYMG-GHMZBOCLSA-N 1 2 273.377 1.182 20 30 CDEDLO CC#CCCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ocnc1C ZINC001754491945 1185640493 /nfs/dbraw/zinc/64/04/93/1185640493.db2.gz SEUVFMVRSGRGGQ-AWEZNQCLSA-N 1 2 289.379 1.867 20 30 CDEDLO CC#CCCCC(=O)NC[C@@H]1CC[N@H+]1Cc1ocnc1C ZINC001754491945 1185640495 /nfs/dbraw/zinc/64/04/95/1185640495.db2.gz SEUVFMVRSGRGGQ-AWEZNQCLSA-N 1 2 289.379 1.867 20 30 CDEDLO CN(C(=O)C#CC(C)(C)C)C1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001754574783 1185670953 /nfs/dbraw/zinc/67/09/53/1185670953.db2.gz DTIDQUQRYCMKQM-HNNXBMFYSA-N 1 2 292.423 1.748 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)Cc1ccc[nH]1)O2 ZINC001755056852 1185800639 /nfs/dbraw/zinc/80/06/39/1185800639.db2.gz KPVCZWWLJKJBBJ-CQSZACIVSA-N 1 2 289.379 1.093 20 30 CDEDLO C=CC[NH+]1CCN(c2nc(OC)c(C#N)cc2F)CC1 ZINC001165031916 721869907 /nfs/dbraw/zinc/86/99/07/721869907.db2.gz DAELIVIOMHNAIA-UHFFFAOYSA-N 1 2 276.315 1.409 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2(F)CCCC2)C1 ZINC001043177641 745120956 /nfs/dbraw/zinc/12/09/56/745120956.db2.gz SYDANFHSEMQHIT-UHFFFAOYSA-N 1 2 254.349 1.987 20 30 CDEDLO C=C1CC(C)(C(=O)N2CC[C@H]([NH2+]Cc3cnsn3)C2)C1 ZINC001019353638 742839362 /nfs/dbraw/zinc/83/93/62/742839362.db2.gz VEVNSIVBFPIEFG-NSHDSACASA-N 1 2 292.408 1.585 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)O[C@H](CC)C(C)=O)CC1 ZINC000873358241 742840556 /nfs/dbraw/zinc/84/05/56/742840556.db2.gz VKETVVFIERQKCK-CYBMUJFWSA-N 1 2 251.326 1.242 20 30 CDEDLO Cn1cc[nH+]c1NN=Cc1cccc2c1OCCO2 ZINC000790302343 742850123 /nfs/dbraw/zinc/85/01/23/742850123.db2.gz QEMUVCIWDWOSCE-UHFFFAOYSA-N 1 2 258.281 1.637 20 30 CDEDLO C=C(C)CN1CC(N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001043181985 742851371 /nfs/dbraw/zinc/85/13/71/742851371.db2.gz PYHPKKBWABRTCY-UHFFFAOYSA-N 1 2 292.383 1.069 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)OCCc1c[nH+]cn1C ZINC000793251232 742861858 /nfs/dbraw/zinc/86/18/58/742861858.db2.gz UTWBSBHXVCYHPF-AWEZNQCLSA-N 1 2 266.341 1.735 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccccc1OCC ZINC000884048008 742872740 /nfs/dbraw/zinc/87/27/40/742872740.db2.gz USNDXVULCHZMAB-NSHDSACASA-N 1 2 292.335 1.470 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cnccn2)CC[C@H]1C ZINC001071321066 742882290 /nfs/dbraw/zinc/88/22/90/742882290.db2.gz CKAVMLJZFBYVEQ-NEPJUHHUSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cnccn2)CC[C@H]1C ZINC001071321066 742882291 /nfs/dbraw/zinc/88/22/91/742882291.db2.gz CKAVMLJZFBYVEQ-NEPJUHHUSA-N 1 2 294.786 1.812 20 30 CDEDLO C[C@@H](C#N)OCCN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000801928876 742893455 /nfs/dbraw/zinc/89/34/55/742893455.db2.gz MHSBDCGCRJSVAW-AWEZNQCLSA-N 1 2 291.370 1.872 20 30 CDEDLO O=[N+]([O-])c1ccc(O)cc1C=NNc1cc[nH+]cc1 ZINC000779812658 742934755 /nfs/dbraw/zinc/93/47/55/742934755.db2.gz WPPKCHWDQLZDFK-UHFFFAOYSA-N 1 2 258.237 1.563 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cn[nH]c2)cc1 ZINC001038075727 743034654 /nfs/dbraw/zinc/03/46/54/743034654.db2.gz BCNHIEJYXXHGAD-OAHLLOKOSA-N 1 2 295.346 1.286 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cn[nH]c2)cc1 ZINC001038075727 743034661 /nfs/dbraw/zinc/03/46/61/743034661.db2.gz BCNHIEJYXXHGAD-OAHLLOKOSA-N 1 2 295.346 1.286 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)NCCC#N)Cc2ccccc2O1 ZINC000795430367 743043421 /nfs/dbraw/zinc/04/34/21/743043421.db2.gz JRCBWXRYJQRGGH-LBPRGKRZSA-N 1 2 273.336 1.299 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)NCCC#N)Cc2ccccc2O1 ZINC000795430367 743043432 /nfs/dbraw/zinc/04/34/32/743043432.db2.gz JRCBWXRYJQRGGH-LBPRGKRZSA-N 1 2 273.336 1.299 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)c(C)cn2)C1 ZINC001030717273 743061045 /nfs/dbraw/zinc/06/10/45/743061045.db2.gz ZFZFKQMFVCAZLG-UHFFFAOYSA-N 1 2 257.337 1.136 20 30 CDEDLO CC(C)NC(=O)[C@@H](C#N)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845442836 743134596 /nfs/dbraw/zinc/13/45/96/743134596.db2.gz JYXOMUHQFNKGLJ-QWRGUYRKSA-N 1 2 262.313 1.068 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2cc3ccccc3n2C)C1 ZINC001031458147 743272259 /nfs/dbraw/zinc/27/22/59/743272259.db2.gz PBEIUTGBYRSRQD-UHFFFAOYSA-N 1 2 283.375 1.707 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2cncnc2)C1 ZINC001015606892 743296934 /nfs/dbraw/zinc/29/69/34/743296934.db2.gz GJFDJCBQDKDQEZ-AAEUAGOBSA-N 1 2 294.786 1.523 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2cncnc2)C1 ZINC001015606892 743296967 /nfs/dbraw/zinc/29/69/67/743296967.db2.gz GJFDJCBQDKDQEZ-AAEUAGOBSA-N 1 2 294.786 1.523 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C)cc2F)C1 ZINC001035517908 743328024 /nfs/dbraw/zinc/32/80/24/743328024.db2.gz AZPWHTMXXDNVRQ-CYBMUJFWSA-N 1 2 292.354 1.751 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(C)cc2F)C1 ZINC001035517908 743328038 /nfs/dbraw/zinc/32/80/38/743328038.db2.gz AZPWHTMXXDNVRQ-CYBMUJFWSA-N 1 2 292.354 1.751 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1Cl ZINC001032742527 743345094 /nfs/dbraw/zinc/34/50/94/743345094.db2.gz PWBAJEPCVMOAPQ-QWRGUYRKSA-N 1 2 277.755 1.820 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1Cl ZINC001032742527 743345095 /nfs/dbraw/zinc/34/50/95/743345095.db2.gz PWBAJEPCVMOAPQ-QWRGUYRKSA-N 1 2 277.755 1.820 20 30 CDEDLO C#CCOc1ccccc1C[NH2+]Cc1cn(CC=C)nn1 ZINC000818224170 743355357 /nfs/dbraw/zinc/35/53/57/743355357.db2.gz FWHVUDJMUVXQEI-UHFFFAOYSA-N 1 2 282.347 1.766 20 30 CDEDLO Cn1c(CC#N)nn(C[N@H+](C)CCC2CC2)c1=S ZINC000794631813 743593041 /nfs/dbraw/zinc/59/30/41/743593041.db2.gz DOBVTCYXGVMSHX-UHFFFAOYSA-N 1 2 265.386 1.707 20 30 CDEDLO Cn1c(CC#N)nn(C[N@@H+](C)CCC2CC2)c1=S ZINC000794631813 743593084 /nfs/dbraw/zinc/59/30/84/743593084.db2.gz DOBVTCYXGVMSHX-UHFFFAOYSA-N 1 2 265.386 1.707 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc3nc[nH]c32)C1 ZINC001023667634 745067341 /nfs/dbraw/zinc/06/73/41/745067341.db2.gz FVKDAQVQSIYIKC-ZDUSSCGKSA-N 1 2 296.374 1.638 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc3nc[nH]c32)C1 ZINC001023667634 745067347 /nfs/dbraw/zinc/06/73/47/745067347.db2.gz FVKDAQVQSIYIKC-ZDUSSCGKSA-N 1 2 296.374 1.638 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2nccc3cccnc32)C1 ZINC001042953217 745103521 /nfs/dbraw/zinc/10/35/21/745103521.db2.gz IFVSJONCNPXZGJ-UHFFFAOYSA-N 1 2 296.374 1.962 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccncc2Cl)C1 ZINC001030961216 745131433 /nfs/dbraw/zinc/13/14/33/745131433.db2.gz AQTITSSKDCWAEC-UHFFFAOYSA-N 1 2 279.771 1.654 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncc(C)cc1C ZINC001032531851 745182552 /nfs/dbraw/zinc/18/25/52/745182552.db2.gz KJYCAPAMVHSRCI-KBPBESRZSA-N 1 2 269.348 1.230 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncc(C)cc1C ZINC001032531851 745182560 /nfs/dbraw/zinc/18/25/60/745182560.db2.gz KJYCAPAMVHSRCI-KBPBESRZSA-N 1 2 269.348 1.230 20 30 CDEDLO CCCNc1cc(NC2CCN(CC#N)CC2)nc[nH+]1 ZINC000865524643 745216505 /nfs/dbraw/zinc/21/65/05/745216505.db2.gz OZLOIZFHAKJCIA-UHFFFAOYSA-N 1 2 274.372 1.698 20 30 CDEDLO CCCNc1cc(NC2CCN(CC#N)CC2)[nH+]cn1 ZINC000865524643 745216518 /nfs/dbraw/zinc/21/65/18/745216518.db2.gz OZLOIZFHAKJCIA-UHFFFAOYSA-N 1 2 274.372 1.698 20 30 CDEDLO COCC[N@H+](CCC(=O)OC)Cc1cc(F)ccc1C#N ZINC000125254663 745280210 /nfs/dbraw/zinc/28/02/10/745280210.db2.gz HJOPLHIORSNRLK-UHFFFAOYSA-N 1 2 294.326 1.709 20 30 CDEDLO COCC[N@@H+](CCC(=O)OC)Cc1cc(F)ccc1C#N ZINC000125254663 745280221 /nfs/dbraw/zinc/28/02/21/745280221.db2.gz HJOPLHIORSNRLK-UHFFFAOYSA-N 1 2 294.326 1.709 20 30 CDEDLO Cc1cncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C)C#N)c1 ZINC001032319301 745294472 /nfs/dbraw/zinc/29/44/72/745294472.db2.gz NAVJIAGMIDSORN-SNPRPXQTSA-N 1 2 284.363 1.335 20 30 CDEDLO Cc1cncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C)C#N)c1 ZINC001032319301 745294480 /nfs/dbraw/zinc/29/44/80/745294480.db2.gz NAVJIAGMIDSORN-SNPRPXQTSA-N 1 2 284.363 1.335 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc3n(n2)CCC3)C1 ZINC001042858882 745307166 /nfs/dbraw/zinc/30/71/66/745307166.db2.gz WIXBFMSBAWAVKE-UHFFFAOYSA-N 1 2 274.368 1.162 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc3c2OCC3)C1 ZINC001030995979 745334679 /nfs/dbraw/zinc/33/46/79/745334679.db2.gz DWWAMENTBIBZKM-UHFFFAOYSA-N 1 2 272.348 1.612 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1C)CO2 ZINC001053892942 745342794 /nfs/dbraw/zinc/34/27/94/745342794.db2.gz GOHBZZWMWDTXIY-FRRDWIJNSA-N 1 2 264.369 1.178 20 30 CDEDLO CC[N@H+](CC1CC1)Cn1nc(CC#N)n(C)c1=S ZINC000794628872 745381126 /nfs/dbraw/zinc/38/11/26/745381126.db2.gz QHDPEWOTEARZGV-UHFFFAOYSA-N 1 2 265.386 1.707 20 30 CDEDLO CC[N@@H+](CC1CC1)Cn1nc(CC#N)n(C)c1=S ZINC000794628872 745381131 /nfs/dbraw/zinc/38/11/31/745381131.db2.gz QHDPEWOTEARZGV-UHFFFAOYSA-N 1 2 265.386 1.707 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccnn2CC2CCC2)C1 ZINC001030318500 745390488 /nfs/dbraw/zinc/39/04/88/745390488.db2.gz GEEUKHJPNRSRKD-UHFFFAOYSA-N 1 2 286.379 1.121 20 30 CDEDLO CCC(C#N)(CC)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000860718557 745448978 /nfs/dbraw/zinc/44/89/78/745448978.db2.gz JMFLWBBXPXUPEA-NSHDSACASA-N 1 2 256.321 1.903 20 30 CDEDLO CCC(C#N)(CC)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000860718557 745448986 /nfs/dbraw/zinc/44/89/86/745448986.db2.gz JMFLWBBXPXUPEA-NSHDSACASA-N 1 2 256.321 1.903 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)s1 ZINC001038812218 745450820 /nfs/dbraw/zinc/45/08/20/745450820.db2.gz RQQDACVWUFMFIH-SNVBAGLBSA-N 1 2 293.392 1.227 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)s1 ZINC001038812218 745450827 /nfs/dbraw/zinc/45/08/27/745450827.db2.gz RQQDACVWUFMFIH-SNVBAGLBSA-N 1 2 293.392 1.227 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2CCC(F)CC2)C1 ZINC001035497510 745460951 /nfs/dbraw/zinc/46/09/51/745460951.db2.gz WOAPAXMEFHNEKP-JXQTWKCFSA-N 1 2 284.375 1.518 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C2CCC(F)CC2)C1 ZINC001035497510 745460954 /nfs/dbraw/zinc/46/09/54/745460954.db2.gz WOAPAXMEFHNEKP-JXQTWKCFSA-N 1 2 284.375 1.518 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCO[C@H]1C ZINC001017764759 745477510 /nfs/dbraw/zinc/47/75/10/745477510.db2.gz NVBQPJMEHZXYMH-TTZDDIAXSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCO[C@H]1C ZINC001017764759 745477517 /nfs/dbraw/zinc/47/75/17/745477517.db2.gz NVBQPJMEHZXYMH-TTZDDIAXSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cncc(Cl)c2)C1 ZINC001031100409 745526959 /nfs/dbraw/zinc/52/69/59/745526959.db2.gz IUWYXQLDVVBWHK-UHFFFAOYSA-N 1 2 263.728 1.172 20 30 CDEDLO COC/C=C/C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000864537854 745528286 /nfs/dbraw/zinc/52/82/86/745528286.db2.gz OBUBCJZCPUMMNG-NSCUHMNNSA-N 1 2 299.374 1.405 20 30 CDEDLO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1cncs1 ZINC001024348466 745570103 /nfs/dbraw/zinc/57/01/03/745570103.db2.gz NYKHBHZARFKWDG-NSHDSACASA-N 1 2 263.366 1.361 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cncs1 ZINC001024348466 745570111 /nfs/dbraw/zinc/57/01/11/745570111.db2.gz NYKHBHZARFKWDG-NSHDSACASA-N 1 2 263.366 1.361 20 30 CDEDLO C#C[C@@H]1CCC[N@@H+](Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000847019955 745587696 /nfs/dbraw/zinc/58/76/96/745587696.db2.gz TXHCVRAWUGYXLV-CYBMUJFWSA-N 1 2 277.389 1.935 20 30 CDEDLO C#C[C@@H]1CCC[N@H+](Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000847019955 745587698 /nfs/dbraw/zinc/58/76/98/745587698.db2.gz TXHCVRAWUGYXLV-CYBMUJFWSA-N 1 2 277.389 1.935 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1CC(C)C1)CO2 ZINC001053771202 745590138 /nfs/dbraw/zinc/59/01/38/745590138.db2.gz GDKARWTUNSGYMB-RUXDESIVSA-N 1 2 276.380 1.015 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N([C@H](C)C(C)C)C1CC1 ZINC000884307742 745593725 /nfs/dbraw/zinc/59/37/25/745593725.db2.gz SOTWFAQOKUGQRE-YPMHNXCESA-N 1 2 282.384 1.469 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ncc3ccccn32)C1 ZINC001043336538 745594149 /nfs/dbraw/zinc/59/41/49/745594149.db2.gz KTHVOCBIJRVYBX-UHFFFAOYSA-N 1 2 284.363 1.667 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1Cc2cccnc2C1 ZINC001018215302 745610730 /nfs/dbraw/zinc/61/07/30/745610730.db2.gz KYOCAWRKSHJDJO-HRCADAONSA-N 1 2 295.386 1.105 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1Cc2cccnc2C1 ZINC001018215302 745610738 /nfs/dbraw/zinc/61/07/38/745610738.db2.gz KYOCAWRKSHJDJO-HRCADAONSA-N 1 2 295.386 1.105 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1OCc2ccccc21 ZINC001032758236 745647544 /nfs/dbraw/zinc/64/75/44/745647544.db2.gz IWJURHQTOGUMAY-ZOBUZTSGSA-N 1 2 296.370 1.566 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1OCc2ccccc21 ZINC001032758236 745647548 /nfs/dbraw/zinc/64/75/48/745647548.db2.gz IWJURHQTOGUMAY-ZOBUZTSGSA-N 1 2 296.370 1.566 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1OCC[C@H]1C ZINC001017964920 745657295 /nfs/dbraw/zinc/65/72/95/745657295.db2.gz GHEJTJGBWCLWQA-KBXIAJHMSA-N 1 2 276.380 1.110 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1OCC[C@H]1C ZINC001017964920 745657304 /nfs/dbraw/zinc/65/73/04/745657304.db2.gz GHEJTJGBWCLWQA-KBXIAJHMSA-N 1 2 276.380 1.110 20 30 CDEDLO COC(=O)[C@@H]([NH2+]CCC(C)(C)C#N)C1CCOCC1 ZINC000880339116 745659496 /nfs/dbraw/zinc/65/94/96/745659496.db2.gz ISUSWXWPCRDMMZ-LBPRGKRZSA-N 1 2 268.357 1.484 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)oc2C)C1 ZINC001035289193 745675146 /nfs/dbraw/zinc/67/51/46/745675146.db2.gz XQZIVHWDGRUNLK-AWEZNQCLSA-N 1 2 290.363 1.350 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)oc2C)C1 ZINC001035289193 745675153 /nfs/dbraw/zinc/67/51/53/745675153.db2.gz XQZIVHWDGRUNLK-AWEZNQCLSA-N 1 2 290.363 1.350 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC1(F)F)CO2 ZINC001053793463 745695775 /nfs/dbraw/zinc/69/57/75/745695775.db2.gz QODCBIKKFDITBE-QWRGUYRKSA-N 1 2 286.322 1.177 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cncc3ncn(C)c32)C1 ZINC001042974007 745720674 /nfs/dbraw/zinc/72/06/74/745720674.db2.gz PICWCEJHSYWONL-UHFFFAOYSA-N 1 2 299.378 1.301 20 30 CDEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@H+]1CC#CC ZINC001038344296 745740703 /nfs/dbraw/zinc/74/07/03/745740703.db2.gz 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/nfs/dbraw/zinc/77/71/77/745777177.db2.gz VSWFFZABZGZQPL-NSHDSACASA-N 1 2 254.717 1.810 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001032412857 745818136 /nfs/dbraw/zinc/81/81/36/745818136.db2.gz SQQKEWRFHLZNFU-JSRQGNBESA-N 1 2 284.403 1.897 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001032412857 745818139 /nfs/dbraw/zinc/81/81/39/745818139.db2.gz SQQKEWRFHLZNFU-JSRQGNBESA-N 1 2 284.403 1.897 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1(C)CCC(C)CC1 ZINC000884118094 745819946 /nfs/dbraw/zinc/81/99/46/745819946.db2.gz UKTOVCZYWOUBPW-AVERBVTBSA-N 1 2 282.384 1.518 20 30 CDEDLO C#CC[C@H](CCOC)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000858857264 745826985 /nfs/dbraw/zinc/82/69/85/745826985.db2.gz MBSVUNSJJJKASO-NWDGAFQWSA-N 1 2 278.356 1.110 20 30 CDEDLO C#CC[C@H](CCOC)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000858857264 745826986 /nfs/dbraw/zinc/82/69/86/745826986.db2.gz MBSVUNSJJJKASO-NWDGAFQWSA-N 1 2 278.356 1.110 20 30 CDEDLO Cc1ncc(C[NH+]2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001031623216 745828925 /nfs/dbraw/zinc/82/89/25/745828925.db2.gz XNZXLYHMDJAMRM-UHFFFAOYSA-N 1 2 299.334 1.045 20 30 CDEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)C(C)C)CC1 ZINC001071005765 745834589 /nfs/dbraw/zinc/83/45/89/745834589.db2.gz HGZZAHWTJFWQAJ-CQSZACIVSA-N 1 2 295.427 1.115 20 30 CDEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)C(C)C)CC1 ZINC001071005765 745834592 /nfs/dbraw/zinc/83/45/92/745834592.db2.gz HGZZAHWTJFWQAJ-CQSZACIVSA-N 1 2 295.427 1.115 20 30 CDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)C2CCC2)C1 ZINC001031510901 745843786 /nfs/dbraw/zinc/84/37/86/745843786.db2.gz OIILONXIWKHADD-UHFFFAOYSA-N 1 2 283.375 1.906 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C#N)c(O)c2)C1 ZINC000923564840 745860004 /nfs/dbraw/zinc/86/00/04/745860004.db2.gz WCYHXXUACMHVHP-AWEZNQCLSA-N 1 2 283.331 1.091 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C#N)c(O)c2)C1 ZINC000923564840 745860005 /nfs/dbraw/zinc/86/00/05/745860005.db2.gz 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ZINC001032411942 746034429 /nfs/dbraw/zinc/03/44/29/746034429.db2.gz CMOZEWQOSADKLT-ZQDZILKHSA-N 1 2 274.408 1.977 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncn2ccc(C)cc12 ZINC001038425314 746038055 /nfs/dbraw/zinc/03/80/55/746038055.db2.gz HYXIOPULQNKOOF-CYBMUJFWSA-N 1 2 282.347 1.080 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncn2ccc(C)cc12 ZINC001038425314 746038061 /nfs/dbraw/zinc/03/80/61/746038061.db2.gz HYXIOPULQNKOOF-CYBMUJFWSA-N 1 2 282.347 1.080 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](CC=C(C)C)C1 ZINC001031088289 746046242 /nfs/dbraw/zinc/04/62/42/746046242.db2.gz QGWOIPKKKJANDS-GJZGRUSLSA-N 1 2 278.396 1.734 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC2(C1)OCCO2 ZINC000160604943 746062133 /nfs/dbraw/zinc/06/21/33/746062133.db2.gz CUGPUUREJMEZLX-CYBMUJFWSA-N 1 2 280.368 1.024 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC2(C1)OCCO2 ZINC000160604943 746062140 /nfs/dbraw/zinc/06/21/40/746062140.db2.gz CUGPUUREJMEZLX-CYBMUJFWSA-N 1 2 280.368 1.024 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[C@@H](C)CO2)C1 ZINC001031857606 746065458 /nfs/dbraw/zinc/06/54/58/746065458.db2.gz DBTNVYVVVSGKIG-SKDRFNHKSA-N 1 2 272.776 1.212 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cn(C)nc1C ZINC001027796596 746098819 /nfs/dbraw/zinc/09/88/19/746098819.db2.gz JCGMSQBJZKSKJS-LBPRGKRZSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C)nc1C ZINC001027796596 746098825 /nfs/dbraw/zinc/09/88/25/746098825.db2.gz JCGMSQBJZKSKJS-LBPRGKRZSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)CC3CC3)C2)CC1 ZINC001051964794 746099205 /nfs/dbraw/zinc/09/92/05/746099205.db2.gz OGVXSJLBOOJQRF-INIZCTEOSA-N 1 2 291.439 1.581 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)cccc1F ZINC001039089138 746103326 /nfs/dbraw/zinc/10/33/26/746103326.db2.gz WIBJQGQBGRNJAJ-GFCCVEGCSA-N 1 2 260.312 1.571 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)cccc1F ZINC001039089138 746103327 /nfs/dbraw/zinc/10/33/27/746103327.db2.gz WIBJQGQBGRNJAJ-GFCCVEGCSA-N 1 2 260.312 1.571 20 30 CDEDLO C#CCOc1ccccc1C[NH2+][C@H](C)c1cn(C)nn1 ZINC000720559768 746110399 /nfs/dbraw/zinc/11/03/99/746110399.db2.gz WSQUDITWACPMJY-GFCCVEGCSA-N 1 2 270.336 1.678 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCc2snnc2C)cc1 ZINC000844235742 746125168 /nfs/dbraw/zinc/12/51/68/746125168.db2.gz RVZVZQUTNFMPNS-UHFFFAOYSA-N 1 2 278.337 1.692 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cncnc2C)C1 ZINC001032930511 746284058 /nfs/dbraw/zinc/28/40/58/746284058.db2.gz CMOFPVRVHDWGOP-GFCCVEGCSA-N 1 2 294.786 1.684 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cncnc2C)C1 ZINC001032930511 746284070 /nfs/dbraw/zinc/28/40/70/746284070.db2.gz CMOFPVRVHDWGOP-GFCCVEGCSA-N 1 2 294.786 1.684 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccccn2)C1 ZINC001035262206 746296637 /nfs/dbraw/zinc/29/66/37/746296637.db2.gz SUUKQWREJVEWCN-CYBMUJFWSA-N 1 2 275.352 1.088 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccccn2)C1 ZINC001035262206 746296641 /nfs/dbraw/zinc/29/66/41/746296641.db2.gz SUUKQWREJVEWCN-CYBMUJFWSA-N 1 2 275.352 1.088 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)co1 ZINC001032576149 746341948 /nfs/dbraw/zinc/34/19/48/746341948.db2.gz NNMDOGPSZOIKTM-STQMWFEESA-N 1 2 258.321 1.510 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)co1 ZINC001032576149 746341957 /nfs/dbraw/zinc/34/19/57/746341957.db2.gz NNMDOGPSZOIKTM-STQMWFEESA-N 1 2 258.321 1.510 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2coc(C)c2)C1 ZINC001035342005 746353327 /nfs/dbraw/zinc/35/33/27/746353327.db2.gz LJVGUFOEESLZQM-ZDUSSCGKSA-N 1 2 264.325 1.205 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2coc(C)c2)C1 ZINC001035342005 746353334 /nfs/dbraw/zinc/35/33/34/746353334.db2.gz LJVGUFOEESLZQM-ZDUSSCGKSA-N 1 2 264.325 1.205 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1c(C)nn(C)c1C)C(C)C ZINC000932393316 746369787 /nfs/dbraw/zinc/36/97/87/746369787.db2.gz IAIVKYQBVLZOLS-UHFFFAOYSA-N 1 2 262.357 1.319 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1c(C)nn(C)c1C)C(C)C ZINC000932393316 746369795 /nfs/dbraw/zinc/36/97/95/746369795.db2.gz IAIVKYQBVLZOLS-UHFFFAOYSA-N 1 2 262.357 1.319 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C2CCC2)cnn1C ZINC001032414198 746448409 /nfs/dbraw/zinc/44/84/09/746448409.db2.gz NYCFSVZUNXPNDK-KBPBESRZSA-N 1 2 298.390 1.220 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C2CCC2)cnn1C ZINC001032414198 746448439 /nfs/dbraw/zinc/44/84/39/746448439.db2.gz NYCFSVZUNXPNDK-KBPBESRZSA-N 1 2 298.390 1.220 20 30 CDEDLO N#Cc1ccccc1/C=C/C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779094848 746482175 /nfs/dbraw/zinc/48/21/75/746482175.db2.gz FVCUYYBWBZSGDD-LLYBFZRZSA-N 1 2 292.342 1.899 20 30 CDEDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CN(CC#N)C1 ZINC001043487705 746529169 /nfs/dbraw/zinc/52/91/69/746529169.db2.gz ISCCLWRCPCEDOV-UHFFFAOYSA-N 1 2 295.346 1.152 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cn(C(C)C)nn2)C1 ZINC001044104904 746568757 /nfs/dbraw/zinc/56/87/57/746568757.db2.gz DNVAAYOYZALVGF-UHFFFAOYSA-N 1 2 277.372 1.191 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001030880068 746639586 /nfs/dbraw/zinc/63/95/86/746639586.db2.gz CGVDAZSTRSYLHZ-OAHLLOKOSA-N 1 2 254.333 1.150 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000884367346 746652852 /nfs/dbraw/zinc/65/28/52/746652852.db2.gz XJYQCLYISHXMOI-MJBXVCDLSA-N 1 2 294.395 1.518 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(C)c1 ZINC001032764715 746715855 /nfs/dbraw/zinc/71/58/55/746715855.db2.gz JXZREXRSURXOLT-HOTGVXAUSA-N 1 2 268.360 1.835 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(C)c1 ZINC001032764715 746715860 /nfs/dbraw/zinc/71/58/60/746715860.db2.gz JXZREXRSURXOLT-HOTGVXAUSA-N 1 2 268.360 1.835 20 30 CDEDLO C[C@@H]1CC[N@H+](Cn2nc(CC#N)n(C)c2=S)[C@@H]1C ZINC000794632788 746732466 /nfs/dbraw/zinc/73/24/66/746732466.db2.gz SGEUKKTYRXHEBX-NXEZZACHSA-N 1 2 265.386 1.705 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cn2nc(CC#N)n(C)c2=S)[C@@H]1C ZINC000794632788 746732482 /nfs/dbraw/zinc/73/24/82/746732482.db2.gz SGEUKKTYRXHEBX-NXEZZACHSA-N 1 2 265.386 1.705 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2ccco2)n[nH]1 ZINC001032644055 746745228 /nfs/dbraw/zinc/74/52/28/746745228.db2.gz QLVHBEVQBBNWQF-RYUDHWBXSA-N 1 2 296.330 1.202 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2ccco2)n[nH]1 ZINC001032644055 746745248 /nfs/dbraw/zinc/74/52/48/746745248.db2.gz QLVHBEVQBBNWQF-RYUDHWBXSA-N 1 2 296.330 1.202 20 30 CDEDLO Cc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)cc1C#N ZINC000799633597 746817815 /nfs/dbraw/zinc/81/78/15/746817815.db2.gz CUEWLLGDBZZDKP-UHFFFAOYSA-N 1 2 266.304 1.760 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2(F)CCOCC2)C1 ZINC001042867506 746842284 /nfs/dbraw/zinc/84/22/84/746842284.db2.gz HWLRHZPSUGDVEO-UHFFFAOYSA-N 1 2 270.348 1.224 20 30 CDEDLO COC(=O)c1ccc2c(c1)C[N@@H+](CCO[C@@H](C)C#N)C2 ZINC000801918856 746846662 /nfs/dbraw/zinc/84/66/62/746846662.db2.gz AOOHUOCSUACUAT-NSHDSACASA-N 1 2 274.320 1.717 20 30 CDEDLO COC(=O)c1ccc2c(c1)C[N@H+](CCO[C@@H](C)C#N)C2 ZINC000801918856 746846664 /nfs/dbraw/zinc/84/66/64/746846664.db2.gz AOOHUOCSUACUAT-NSHDSACASA-N 1 2 274.320 1.717 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c2ccccc21 ZINC001018231503 746847026 /nfs/dbraw/zinc/84/70/26/746847026.db2.gz LTNLWGNXXZRKAU-BETUJISGSA-N 1 2 294.358 1.485 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c2ccccc21 ZINC001018231503 746847027 /nfs/dbraw/zinc/84/70/27/746847027.db2.gz LTNLWGNXXZRKAU-BETUJISGSA-N 1 2 294.358 1.485 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2cnccn2)CC1 ZINC001002257941 746870686 /nfs/dbraw/zinc/87/06/86/746870686.db2.gz HSYOXKDJYBNFJB-UHFFFAOYSA-N 1 2 280.759 1.423 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1scnc1Cl ZINC001028318662 746876393 /nfs/dbraw/zinc/87/63/93/746876393.db2.gz BODDDOZOVMIJSE-VIFPVBQESA-N 1 2 283.784 1.624 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1scnc1Cl ZINC001028318662 746876395 /nfs/dbraw/zinc/87/63/95/746876395.db2.gz BODDDOZOVMIJSE-VIFPVBQESA-N 1 2 283.784 1.624 20 30 CDEDLO N#CCC[N@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000810069861 746890757 /nfs/dbraw/zinc/89/07/57/746890757.db2.gz JQXBYNZUFAAIEQ-VIFPVBQESA-N 1 2 263.263 1.291 20 30 CDEDLO N#CCC[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000810069861 746890759 /nfs/dbraw/zinc/89/07/59/746890759.db2.gz JQXBYNZUFAAIEQ-VIFPVBQESA-N 1 2 263.263 1.291 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC001042723831 746963798 /nfs/dbraw/zinc/96/37/98/746963798.db2.gz LYHHHNPYRVCWNR-ZDUSSCGKSA-N 1 2 288.395 1.548 20 30 CDEDLO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3cn[nH]c32)C1 ZINC001014440273 747049663 /nfs/dbraw/zinc/04/96/63/747049663.db2.gz WJUFSEKYQJSBRZ-ZIAGYGMSSA-N 1 2 286.379 1.043 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2cnn(C)c2)C1 ZINC001032947719 747050091 /nfs/dbraw/zinc/05/00/91/747050091.db2.gz QRPZLVBFKFFBSO-ZDUSSCGKSA-N 1 2 296.802 1.248 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2cnn(C)c2)C1 ZINC001032947719 747050095 /nfs/dbraw/zinc/05/00/95/747050095.db2.gz QRPZLVBFKFFBSO-ZDUSSCGKSA-N 1 2 296.802 1.248 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC1 ZINC000958009903 747072434 /nfs/dbraw/zinc/07/24/34/747072434.db2.gz XCDFADQDUMTYEL-ZSHCYNCHSA-N 1 2 299.349 1.654 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC1 ZINC000958009903 747072441 /nfs/dbraw/zinc/07/24/41/747072441.db2.gz XCDFADQDUMTYEL-ZSHCYNCHSA-N 1 2 299.349 1.654 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)c3cccn32)C1 ZINC000923561289 747099764 /nfs/dbraw/zinc/09/97/64/747099764.db2.gz XDUYVKKCBYFQFG-ZFWWWQNUSA-N 1 2 299.374 1.220 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)c3cccn32)C1 ZINC000923561289 747099777 /nfs/dbraw/zinc/09/97/77/747099777.db2.gz XDUYVKKCBYFQFG-ZFWWWQNUSA-N 1 2 299.374 1.220 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](CCC(=O)NCC(=O)c2ccccc2)C1 ZINC000932153996 747102648 /nfs/dbraw/zinc/10/26/48/747102648.db2.gz TZFXCMBSGQJACW-AWEZNQCLSA-N 1 2 299.374 1.611 20 30 CDEDLO N#C[C@@H]1CCC[N@H+](CCC(=O)NCC(=O)c2ccccc2)C1 ZINC000932153996 747102671 /nfs/dbraw/zinc/10/26/71/747102671.db2.gz TZFXCMBSGQJACW-AWEZNQCLSA-N 1 2 299.374 1.611 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)C(C)C ZINC000854068734 747157781 /nfs/dbraw/zinc/15/77/81/747157781.db2.gz LPLQUCRHVZHAEY-MCIONIFRSA-N 1 2 281.400 1.053 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)C(C)C ZINC000854068734 747157794 /nfs/dbraw/zinc/15/77/94/747157794.db2.gz LPLQUCRHVZHAEY-MCIONIFRSA-N 1 2 281.400 1.053 20 30 CDEDLO Cc1nc(N(C)[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001061175129 747182209 /nfs/dbraw/zinc/18/22/09/747182209.db2.gz DOTFXCSETWYLKB-YPMHNXCESA-N 1 2 287.367 1.372 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CO[C@H](C)C2)C1 ZINC001031790073 747186393 /nfs/dbraw/zinc/18/63/93/747186393.db2.gz QYINOVPFWSEAPA-PWSUYJOCSA-N 1 2 272.776 1.212 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cnccc2C#N)C1 ZINC000359099193 747212826 /nfs/dbraw/zinc/21/28/26/747212826.db2.gz UFBKPDGGWXXWHZ-ZDUSSCGKSA-N 1 2 295.346 1.707 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(C#N)cs2)C1 ZINC000923567157 747273223 /nfs/dbraw/zinc/27/32/23/747273223.db2.gz ALKUHDPVWFGZMH-LBPRGKRZSA-N 1 2 273.361 1.447 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C#N)cs2)C1 ZINC000923567157 747273243 /nfs/dbraw/zinc/27/32/43/747273243.db2.gz ALKUHDPVWFGZMH-LBPRGKRZSA-N 1 2 273.361 1.447 20 30 CDEDLO Cc1nocc1C[N@@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC000981125631 747301302 /nfs/dbraw/zinc/30/13/02/747301302.db2.gz HNRRXHYDTXIEOB-UHFFFAOYSA-N 1 2 287.363 1.431 20 30 CDEDLO Cc1nocc1C[N@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC000981125631 747301310 /nfs/dbraw/zinc/30/13/10/747301310.db2.gz HNRRXHYDTXIEOB-UHFFFAOYSA-N 1 2 287.363 1.431 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(C)ccc1F ZINC000884048679 747323565 /nfs/dbraw/zinc/32/35/65/747323565.db2.gz SFGDBBDLCHFDHM-NSHDSACASA-N 1 2 280.299 1.519 20 30 CDEDLO O=C(C#CC1CC1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000837316614 747362757 /nfs/dbraw/zinc/36/27/57/747362757.db2.gz HJGVUKUUYWGWDC-QGZVFWFLSA-N 1 2 298.386 1.417 20 30 CDEDLO O=C(C#CC1CC1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000837316614 747362762 /nfs/dbraw/zinc/36/27/62/747362762.db2.gz HJGVUKUUYWGWDC-QGZVFWFLSA-N 1 2 298.386 1.417 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1OCCc2ccccc21 ZINC001038583982 747369180 /nfs/dbraw/zinc/36/91/80/747369180.db2.gz BBLYGSGDDNRGGA-DOTOQJQBSA-N 1 2 298.386 1.514 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1OCCc2ccccc21 ZINC001038583982 747369186 /nfs/dbraw/zinc/36/91/86/747369186.db2.gz BBLYGSGDDNRGGA-DOTOQJQBSA-N 1 2 298.386 1.514 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)N(C)CC2 ZINC001038974456 747426867 /nfs/dbraw/zinc/42/68/67/747426867.db2.gz YVKYEQYLQXAYCK-OAHLLOKOSA-N 1 2 283.375 1.116 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)N(C)CC2 ZINC001038974456 747426873 /nfs/dbraw/zinc/42/68/73/747426873.db2.gz YVKYEQYLQXAYCK-OAHLLOKOSA-N 1 2 283.375 1.116 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001038989715 747440236 /nfs/dbraw/zinc/44/02/36/747440236.db2.gz LCBQUEXLCYNDJD-OAHLLOKOSA-N 1 2 256.349 1.741 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001038989715 747440225 /nfs/dbraw/zinc/44/02/25/747440225.db2.gz LCBQUEXLCYNDJD-OAHLLOKOSA-N 1 2 256.349 1.741 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccsc1 ZINC001032261554 747465363 /nfs/dbraw/zinc/46/53/63/747465363.db2.gz RURHQZOHLDVOKA-STQMWFEESA-N 1 2 260.362 1.209 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccsc1 ZINC001032261554 747465374 /nfs/dbraw/zinc/46/53/74/747465374.db2.gz RURHQZOHLDVOKA-STQMWFEESA-N 1 2 260.362 1.209 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccc(-n3cncn3)cc2)C1 ZINC001042984446 747523175 /nfs/dbraw/zinc/52/31/75/747523175.db2.gz FTALQRIUKOPJSB-UHFFFAOYSA-N 1 2 297.362 1.210 20 30 CDEDLO C#Cc1ccccc1CC(=O)OCCc1c[nH+]cn1C ZINC000810698037 747540479 /nfs/dbraw/zinc/54/04/79/747540479.db2.gz LRSMKSPPPQTCST-UHFFFAOYSA-N 1 2 268.316 1.730 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1COc2cc(C)c(C)cc21 ZINC001038557352 747558328 /nfs/dbraw/zinc/55/83/28/747558328.db2.gz DIAFIFLKLQBLON-GOEBONIOSA-N 1 2 298.386 1.603 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1COc2cc(C)c(C)cc21 ZINC001038557352 747558375 /nfs/dbraw/zinc/55/83/75/747558375.db2.gz DIAFIFLKLQBLON-GOEBONIOSA-N 1 2 298.386 1.603 20 30 CDEDLO C[C@H]1CCN(C[N@H+](C)Cc2cccc(C#N)c2)C1=O ZINC000839957877 747567377 /nfs/dbraw/zinc/56/73/77/747567377.db2.gz FNLSLLOSBLQTIA-LBPRGKRZSA-N 1 2 257.337 1.816 20 30 CDEDLO C[C@H]1CCN(C[N@@H+](C)Cc2cccc(C#N)c2)C1=O ZINC000839957877 747567394 /nfs/dbraw/zinc/56/73/94/747567394.db2.gz FNLSLLOSBLQTIA-LBPRGKRZSA-N 1 2 257.337 1.816 20 30 CDEDLO CCn1ncnc1CO[NH+]=C(N)c1ccc(F)cc1 ZINC000853645915 747653997 /nfs/dbraw/zinc/65/39/97/747653997.db2.gz HOELYWQLSXBKIU-UHFFFAOYSA-N 1 2 263.276 1.274 20 30 CDEDLO NC(=[NH+]OCCO)c1ccc(OCc2cccnc2)cc1 ZINC000111997747 747655324 /nfs/dbraw/zinc/65/53/24/747655324.db2.gz QTTPGWIUDIWVOT-UHFFFAOYSA-N 1 2 287.319 1.290 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cl)cn1C ZINC001038489992 747698865 /nfs/dbraw/zinc/69/88/65/747698865.db2.gz VUYQHTKKIRRJFJ-LBPRGKRZSA-N 1 2 279.771 1.506 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(Cl)cn1C ZINC001038489992 747698886 /nfs/dbraw/zinc/69/88/86/747698886.db2.gz VUYQHTKKIRRJFJ-LBPRGKRZSA-N 1 2 279.771 1.506 20 30 CDEDLO CC(C)(O)CNN=C1CCN(c2cccc[nH+]2)CC1 ZINC000863141047 747715616 /nfs/dbraw/zinc/71/56/16/747715616.db2.gz ZXQHSPIRAVUFMS-UHFFFAOYSA-N 1 2 262.357 1.398 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1nc(C2CC2)oc1C ZINC001038860097 747805661 /nfs/dbraw/zinc/80/56/61/747805661.db2.gz OUVZEWHJAYYIFP-ZDUSSCGKSA-N 1 2 287.363 1.688 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1nc(C2CC2)oc1C ZINC001038860097 747805662 /nfs/dbraw/zinc/80/56/62/747805662.db2.gz OUVZEWHJAYYIFP-ZDUSSCGKSA-N 1 2 287.363 1.688 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccnn2C)C1 ZINC001014467129 747808334 /nfs/dbraw/zinc/80/83/34/747808334.db2.gz CYTTUTCFXCHSDC-RYUDHWBXSA-N 1 2 296.802 1.467 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccnn2C)C1 ZINC001014467129 747808335 /nfs/dbraw/zinc/80/83/35/747808335.db2.gz CYTTUTCFXCHSDC-RYUDHWBXSA-N 1 2 296.802 1.467 20 30 CDEDLO C[C@H](C#N)OCC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000306017929 747828055 /nfs/dbraw/zinc/82/80/55/747828055.db2.gz LJECVPDNIININK-SNVBAGLBSA-N 1 2 265.279 1.095 20 30 CDEDLO C#CC1CCN(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000825743280 747846342 /nfs/dbraw/zinc/84/63/42/747846342.db2.gz QKXKUSCBXGZFBE-UHFFFAOYSA-N 1 2 274.368 1.718 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC2(F)F)C1 ZINC001035407663 747852848 /nfs/dbraw/zinc/85/28/48/747852848.db2.gz BIZAPBNVGGDSPB-VXGBXAGGSA-N 1 2 288.338 1.425 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC2(F)F)C1 ZINC001035407663 747852849 /nfs/dbraw/zinc/85/28/49/747852849.db2.gz BIZAPBNVGGDSPB-VXGBXAGGSA-N 1 2 288.338 1.425 20 30 CDEDLO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccn1 ZINC001029301490 747879807 /nfs/dbraw/zinc/87/98/07/747879807.db2.gz SESAYWWADLUDAC-CALCHBBNSA-N 1 2 295.386 1.670 20 30 CDEDLO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccn1 ZINC001029301490 747879808 /nfs/dbraw/zinc/87/98/08/747879808.db2.gz SESAYWWADLUDAC-CALCHBBNSA-N 1 2 295.386 1.670 20 30 CDEDLO C=C(C)CNC(=S)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000849280820 747922875 /nfs/dbraw/zinc/92/28/75/747922875.db2.gz HWRCARSOEZAKDC-VXGBXAGGSA-N 1 2 271.430 1.136 20 30 CDEDLO C=C(C)CNC(=S)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000849280820 747922914 /nfs/dbraw/zinc/92/29/14/747922914.db2.gz HWRCARSOEZAKDC-VXGBXAGGSA-N 1 2 271.430 1.136 20 30 CDEDLO C#C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000843967207 747978827 /nfs/dbraw/zinc/97/88/27/747978827.db2.gz JTRMCMQKAUCWAA-ZBFHGGJFSA-N 1 2 279.343 1.936 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2sc(COC)nc2C)C1 ZINC001016120419 747990514 /nfs/dbraw/zinc/99/05/14/747990514.db2.gz PYOXVGWWJHDVGT-LLVKDONJSA-N 1 2 293.392 1.035 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2sc(COC)nc2C)C1 ZINC001016120419 747990543 /nfs/dbraw/zinc/99/05/43/747990543.db2.gz PYOXVGWWJHDVGT-LLVKDONJSA-N 1 2 293.392 1.035 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc([C@H]3CCOC3)c2)C1 ZINC001030576622 748007083 /nfs/dbraw/zinc/00/70/83/748007083.db2.gz WPSDDFPLXBAPSO-INIZCTEOSA-N 1 2 298.386 1.628 20 30 CDEDLO C[C@]1(C#N)CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC000887679402 748018922 /nfs/dbraw/zinc/01/89/22/748018922.db2.gz WYZNLJWOMKTAOC-AWEZNQCLSA-N 1 2 270.292 1.089 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)OC)[C@@H]2C1 ZINC001075591323 748031036 /nfs/dbraw/zinc/03/10/36/748031036.db2.gz YMUQUFFZSUZCSM-SDDRHHMPSA-N 1 2 272.776 1.307 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)OC)[C@@H]2C1 ZINC001075591323 748031045 /nfs/dbraw/zinc/03/10/45/748031045.db2.gz YMUQUFFZSUZCSM-SDDRHHMPSA-N 1 2 272.776 1.307 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(F)nc2)C1 ZINC001035313014 748047966 /nfs/dbraw/zinc/04/79/66/748047966.db2.gz HKEJZLLKQRGFMX-ZDUSSCGKSA-N 1 2 293.342 1.227 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(F)nc2)C1 ZINC001035313014 748047974 /nfs/dbraw/zinc/04/79/74/748047974.db2.gz HKEJZLLKQRGFMX-ZDUSSCGKSA-N 1 2 293.342 1.227 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)ccc1F ZINC001038481185 748133856 /nfs/dbraw/zinc/13/38/56/748133856.db2.gz SOURIBUNMPDOHY-LLVKDONJSA-N 1 2 280.730 1.916 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)ccc1F ZINC001038481185 748133888 /nfs/dbraw/zinc/13/38/88/748133888.db2.gz SOURIBUNMPDOHY-LLVKDONJSA-N 1 2 280.730 1.916 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c(C3CCC3)cnn2C)C1 ZINC001030343633 748155940 /nfs/dbraw/zinc/15/59/40/748155940.db2.gz RIYCMCMGAPIYKC-UHFFFAOYSA-N 1 2 286.379 1.125 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001045149806 748177590 /nfs/dbraw/zinc/17/75/90/748177590.db2.gz SWNHPBAYMCZIIZ-LBPRGKRZSA-N 1 2 292.383 1.671 20 30 CDEDLO Cc1cc(C)c(C(=O)N(C)[C@H]2CCN(CC#N)C2)c(C)[nH+]1 ZINC001033284914 748229832 /nfs/dbraw/zinc/22/98/32/748229832.db2.gz RGZSAXPAZHRPNQ-AWEZNQCLSA-N 1 2 286.379 1.677 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001032708954 748256910 /nfs/dbraw/zinc/25/69/10/748256910.db2.gz KBAKAULWDHAIEH-AGIUHOORSA-N 1 2 298.390 1.066 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001032708954 748256918 /nfs/dbraw/zinc/25/69/18/748256918.db2.gz KBAKAULWDHAIEH-AGIUHOORSA-N 1 2 298.390 1.066 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(COC)cc1 ZINC001039008434 748263187 /nfs/dbraw/zinc/26/31/87/748263187.db2.gz KLKPYWCCNJMFJQ-INIZCTEOSA-N 1 2 286.375 1.660 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(COC)cc1 ZINC001039008434 748263205 /nfs/dbraw/zinc/26/32/05/748263205.db2.gz KLKPYWCCNJMFJQ-INIZCTEOSA-N 1 2 286.375 1.660 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)C1 ZINC001031483392 748296548 /nfs/dbraw/zinc/29/65/48/748296548.db2.gz BNAVNRVZYTUGQH-BLLLJJGKSA-N 1 2 284.359 1.375 20 30 CDEDLO Cc1cc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)no1 ZINC000971218676 748327188 /nfs/dbraw/zinc/32/71/88/748327188.db2.gz QFCAWRWJVJOYON-GXFFZTMASA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1cc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)no1 ZINC000971218676 748327197 /nfs/dbraw/zinc/32/71/97/748327197.db2.gz QFCAWRWJVJOYON-GXFFZTMASA-N 1 2 276.340 1.175 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnc3ccccn23)C1 ZINC001043170227 748400139 /nfs/dbraw/zinc/40/01/39/748400139.db2.gz VOXNJWFFDQMIAQ-UHFFFAOYSA-N 1 2 284.363 1.667 20 30 CDEDLO COc1cc(C=NNc2[nH+]ccn2C)cc2c1OCO2 ZINC000790299648 748406271 /nfs/dbraw/zinc/40/62/71/748406271.db2.gz HAHGUVNALBKURC-UHFFFAOYSA-N 1 2 274.280 1.603 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC1(F)F ZINC001050972794 748421668 /nfs/dbraw/zinc/42/16/68/748421668.db2.gz XSXLDBJSXZBVFN-NWDGAFQWSA-N 1 2 288.338 1.425 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC1(F)F ZINC001050972794 748421684 /nfs/dbraw/zinc/42/16/84/748421684.db2.gz XSXLDBJSXZBVFN-NWDGAFQWSA-N 1 2 288.338 1.425 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)CC(C)(C)C#N ZINC000928646701 748431173 /nfs/dbraw/zinc/43/11/73/748431173.db2.gz JMHDXKYVPRIZGG-GFCCVEGCSA-N 1 2 267.373 1.153 20 30 CDEDLO N#CCc1ccnc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC000889253662 748437028 /nfs/dbraw/zinc/43/70/28/748437028.db2.gz BXUFGBMLBIYTFD-LLVKDONJSA-N 1 2 282.307 1.091 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@](C)(NC(=O)c2snnc2C)C1 ZINC001046133148 748569073 /nfs/dbraw/zinc/56/90/73/748569073.db2.gz NAQXOIPEVZINSX-CYBMUJFWSA-N 1 2 278.381 1.064 20 30 CDEDLO CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2snnc2C)C1 ZINC001046133148 748569096 /nfs/dbraw/zinc/56/90/96/748569096.db2.gz NAQXOIPEVZINSX-CYBMUJFWSA-N 1 2 278.381 1.064 20 30 CDEDLO C[C@H]1CN=C(N2CC[NH+](CCCC#N)CC2)S1 ZINC000175804994 748627319 /nfs/dbraw/zinc/62/73/19/748627319.db2.gz VDIULSUECRAYMW-NSHDSACASA-N 1 2 252.387 1.399 20 30 CDEDLO CCn1nc(C)c(C[NH2+]Cc2ccc(C#N)s2)n1 ZINC000817411386 748648270 /nfs/dbraw/zinc/64/82/70/748648270.db2.gz QSDJISJEVIKCRR-UHFFFAOYSA-N 1 2 261.354 1.829 20 30 CDEDLO C#CCC1([NH2+][C@H](C)C(=O)OCCC)CCOCC1 ZINC000887124463 748660277 /nfs/dbraw/zinc/66/02/77/748660277.db2.gz FRBIMGOBSWILCV-GFCCVEGCSA-N 1 2 253.342 1.490 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCO[C@H]1C(C)C ZINC001032411282 748695982 /nfs/dbraw/zinc/69/59/82/748695982.db2.gz MHBYVNIVMIXAIE-VGWMRTNUSA-N 1 2 290.407 1.356 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCO[C@H]1C(C)C ZINC001032411282 748695986 /nfs/dbraw/zinc/69/59/86/748695986.db2.gz MHBYVNIVMIXAIE-VGWMRTNUSA-N 1 2 290.407 1.356 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C)nc2C2CC2)C1 ZINC001030753822 748701438 /nfs/dbraw/zinc/70/14/38/748701438.db2.gz CMMZMFJHJWEYJD-UHFFFAOYSA-N 1 2 283.375 1.705 20 30 CDEDLO Cn1c[nH+]cc1CCOC(=O)c1ccsc1C#N ZINC000923565403 748805837 /nfs/dbraw/zinc/80/58/37/748805837.db2.gz BFTQZYMDPLEIKH-UHFFFAOYSA-N 1 2 261.306 1.753 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1sccc1OC ZINC001038950576 748811385 /nfs/dbraw/zinc/81/13/85/748811385.db2.gz WANVMYVTOFHUAV-JTQLQIEISA-N 1 2 266.366 1.747 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1sccc1OC ZINC001038950576 748811391 /nfs/dbraw/zinc/81/13/91/748811391.db2.gz WANVMYVTOFHUAV-JTQLQIEISA-N 1 2 266.366 1.747 20 30 CDEDLO C=C(C)CC[NH+]1CC(NC(=O)c2cc(OC)ns2)C1 ZINC001030332853 748815938 /nfs/dbraw/zinc/81/59/38/748815938.db2.gz SSGIOEVTFKNOGZ-UHFFFAOYSA-N 1 2 281.381 1.532 20 30 CDEDLO CCOC1CC([N@H+](C)Cn2cccc(C#N)c2=O)C1 ZINC000808212656 748835304 /nfs/dbraw/zinc/83/53/04/748835304.db2.gz UOEDSNJZYBDJMG-UHFFFAOYSA-N 1 2 261.325 1.177 20 30 CDEDLO CCOC1CC([N@@H+](C)Cn2cccc(C#N)c2=O)C1 ZINC000808212656 748835306 /nfs/dbraw/zinc/83/53/06/748835306.db2.gz UOEDSNJZYBDJMG-UHFFFAOYSA-N 1 2 261.325 1.177 20 30 CDEDLO C=CCC(F)(F)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857946726 748844778 /nfs/dbraw/zinc/84/47/78/748844778.db2.gz ZNJVRQOQQMHOFL-VIFPVBQESA-N 1 2 255.268 1.526 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc3nonc3c2)C1 ZINC001043722978 748859289 /nfs/dbraw/zinc/85/92/89/748859289.db2.gz HTJQBPHTNXKMTJ-UHFFFAOYSA-N 1 2 286.335 1.555 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001015723394 748874010 /nfs/dbraw/zinc/87/40/10/748874010.db2.gz JFQRZTOWTWZIQD-USWWRNFRSA-N 1 2 272.776 1.354 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001015723394 748874011 /nfs/dbraw/zinc/87/40/11/748874011.db2.gz JFQRZTOWTWZIQD-USWWRNFRSA-N 1 2 272.776 1.354 20 30 CDEDLO C#CCCCC(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000870666909 748885283 /nfs/dbraw/zinc/88/52/83/748885283.db2.gz NFAHBYGVYKLYAO-UHFFFAOYSA-N 1 2 286.379 1.575 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccon2)C1 ZINC001006961153 748889751 /nfs/dbraw/zinc/88/97/51/748889751.db2.gz ZPYPOQSYOAKFFA-LBPRGKRZSA-N 1 2 283.759 1.550 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2ccon2)C1 ZINC001006961153 748889754 /nfs/dbraw/zinc/88/97/54/748889754.db2.gz ZPYPOQSYOAKFFA-LBPRGKRZSA-N 1 2 283.759 1.550 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2n[nH]c(C3CC3)c2Cl)C1 ZINC001030611256 748920704 /nfs/dbraw/zinc/92/07/04/748920704.db2.gz VWVAAZMZUHYUMP-UHFFFAOYSA-N 1 2 292.770 1.378 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1(C)CC(=C)C1)CO2 ZINC001053919083 748931345 /nfs/dbraw/zinc/93/13/45/748931345.db2.gz CZBDIRWMDRWUDP-AWEZNQCLSA-N 1 2 288.391 1.326 20 30 CDEDLO Cc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1C#N ZINC000857945478 748937187 /nfs/dbraw/zinc/93/71/87/748937187.db2.gz RJEGPHGPWMJTPX-CQSZACIVSA-N 1 2 280.331 1.808 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc[n+]([O-])cc1 ZINC001027741412 748949380 /nfs/dbraw/zinc/94/93/80/748949380.db2.gz DKGWBRNPEFCFBB-CYBMUJFWSA-N 1 2 295.770 1.267 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc[n+]([O-])cc1 ZINC001027741412 748949381 /nfs/dbraw/zinc/94/93/81/748949381.db2.gz DKGWBRNPEFCFBB-CYBMUJFWSA-N 1 2 295.770 1.267 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2nonc2C)CC1 ZINC001006482124 748994548 /nfs/dbraw/zinc/99/45/48/748994548.db2.gz XJIZIPMUEJEKJK-UHFFFAOYSA-N 1 2 298.774 1.667 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)c3cnon3)CCC[C@@H]12 ZINC000992359818 748998917 /nfs/dbraw/zinc/99/89/17/748998917.db2.gz GSBHGTWDKDMZGB-DGCLKSJQSA-N 1 2 296.758 1.549 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)c3cnon3)CCC[C@@H]12 ZINC000992359818 748998924 /nfs/dbraw/zinc/99/89/24/748998924.db2.gz GSBHGTWDKDMZGB-DGCLKSJQSA-N 1 2 296.758 1.549 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(F)F)n[nH]1 ZINC001038692721 749008407 /nfs/dbraw/zinc/00/84/07/749008407.db2.gz ZLRGLGTXLOUFCE-SECBINFHSA-N 1 2 282.294 1.175 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(F)F)n[nH]1 ZINC001038692721 749008413 /nfs/dbraw/zinc/00/84/13/749008413.db2.gz ZLRGLGTXLOUFCE-SECBINFHSA-N 1 2 282.294 1.175 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001043934534 749048875 /nfs/dbraw/zinc/04/88/75/749048875.db2.gz UYZKHVINAGQTPK-MCIONIFRSA-N 1 2 264.369 1.273 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnoc1CC ZINC001038759901 749050738 /nfs/dbraw/zinc/05/07/38/749050738.db2.gz AZZCDCOBXMJLRD-NSHDSACASA-N 1 2 261.325 1.064 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnoc1CC ZINC001038759901 749050743 /nfs/dbraw/zinc/05/07/43/749050743.db2.gz AZZCDCOBXMJLRD-NSHDSACASA-N 1 2 261.325 1.064 20 30 CDEDLO C=CC[NH+]1CCC([C@@H](C)NC(=O)c2[nH]ncc2F)CC1 ZINC000997289465 749067858 /nfs/dbraw/zinc/06/78/58/749067858.db2.gz LOAAACORWBTMSI-SNVBAGLBSA-N 1 2 280.347 1.565 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C)cc(C)n2)C1 ZINC001043186812 749155502 /nfs/dbraw/zinc/15/55/02/749155502.db2.gz XXXSTZJVTJBDKW-UHFFFAOYSA-N 1 2 271.364 1.478 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccccn3)C[C@@H]21 ZINC001074144466 749186346 /nfs/dbraw/zinc/18/63/46/749186346.db2.gz QJHCLIOFKAYSMV-HOTGVXAUSA-N 1 2 299.374 1.020 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccccn3)C[C@@H]21 ZINC001074144466 749186360 /nfs/dbraw/zinc/18/63/60/749186360.db2.gz QJHCLIOFKAYSMV-HOTGVXAUSA-N 1 2 299.374 1.020 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2cccc3nc[nH]c32)C1 ZINC001044080032 749237341 /nfs/dbraw/zinc/23/73/41/749237341.db2.gz IMFQUAQYBMHCFE-UHFFFAOYSA-N 1 2 270.336 1.505 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCO2)C1 ZINC001046122777 749244431 /nfs/dbraw/zinc/24/44/31/749244431.db2.gz OPMVNRMGNRFBNK-WCQYABFASA-N 1 2 272.776 1.499 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCO2)C1 ZINC001046122777 749244438 /nfs/dbraw/zinc/24/44/38/749244438.db2.gz OPMVNRMGNRFBNK-WCQYABFASA-N 1 2 272.776 1.499 20 30 CDEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1c[nH]c(C#N)c1 ZINC000776960154 749296667 /nfs/dbraw/zinc/29/66/67/749296667.db2.gz JVZLPHJIKYDQAH-CYBMUJFWSA-N 1 2 285.351 1.928 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)Nc1ccnc(C#N)c1 ZINC001563138059 1168111760 /nfs/dbraw/zinc/11/17/60/1168111760.db2.gz UHBYZTAOUXTSLD-UHFFFAOYSA-N 1 2 256.269 1.008 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[nH]c1)C2 ZINC001095204651 912604172 /nfs/dbraw/zinc/60/41/72/912604172.db2.gz YGHHTYFMIGDNRT-WOPDTQHZSA-N 1 2 280.759 1.497 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[nH]c1)C2 ZINC001095204651 912604176 /nfs/dbraw/zinc/60/41/76/912604176.db2.gz YGHHTYFMIGDNRT-WOPDTQHZSA-N 1 2 280.759 1.497 20 30 CDEDLO C=C1CC(C)(C(=O)NC[C@@H](O)CNc2cc[nH+]c(C)n2)C1 ZINC001106095178 912742364 /nfs/dbraw/zinc/74/23/64/912742364.db2.gz UZURRNIHFUXBTJ-LBPRGKRZSA-N 1 2 290.367 1.030 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc(CC)cc2)C1 ZINC001031027344 913431553 /nfs/dbraw/zinc/43/15/53/913431553.db2.gz BHEOEVYUDHIMFB-UHFFFAOYSA-N 1 2 270.376 1.615 20 30 CDEDLO C[N@@H+]1CCCn2nc(C(=O)NCCCCC#N)cc2C1 ZINC001175094544 913460035 /nfs/dbraw/zinc/46/00/35/913460035.db2.gz KNSFNAQPKUUAIK-UHFFFAOYSA-N 1 2 275.356 1.142 20 30 CDEDLO C[N@H+]1CCCn2nc(C(=O)NCCCCC#N)cc2C1 ZINC001175094544 913460042 /nfs/dbraw/zinc/46/00/42/913460042.db2.gz KNSFNAQPKUUAIK-UHFFFAOYSA-N 1 2 275.356 1.142 20 30 CDEDLO C#Cc1cccc(-n2c(N)[nH+]cc2C(=O)OCC)c1 ZINC001175972528 913866423 /nfs/dbraw/zinc/86/64/23/913866423.db2.gz YIQKTGLIODTVEC-UHFFFAOYSA-N 1 2 255.277 1.613 20 30 CDEDLO CCN(CCNc1cc[nH+]c(C)n1)C(=O)[C@@H](C)C#N ZINC001106707237 914173197 /nfs/dbraw/zinc/17/31/97/914173197.db2.gz ASSLDGXBVRXZHI-JTQLQIEISA-N 1 2 261.329 1.205 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cncnc1C)C1CC1 ZINC001481159769 899009475 /nfs/dbraw/zinc/00/94/75/899009475.db2.gz OSHPQKMWKKWPLY-UHFFFAOYSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cncnc1C)C1CC1 ZINC001481159769 899009489 /nfs/dbraw/zinc/00/94/89/899009489.db2.gz OSHPQKMWKKWPLY-UHFFFAOYSA-N 1 2 294.786 1.732 20 30 CDEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(F)s3)[C@H]2C1 ZINC001083289909 899387384 /nfs/dbraw/zinc/38/73/84/899387384.db2.gz VZXUELDHSRWYML-WDEREUQCSA-N 1 2 296.367 1.598 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(F)s3)[C@H]2C1 ZINC001083289909 899387402 /nfs/dbraw/zinc/38/74/02/899387402.db2.gz VZXUELDHSRWYML-WDEREUQCSA-N 1 2 296.367 1.598 20 30 CDEDLO C[C@H](CNc1ncccc1C#N)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001104826234 899552013 /nfs/dbraw/zinc/55/20/13/899552013.db2.gz TVLNKVGYVORVOL-LLVKDONJSA-N 1 2 298.350 1.178 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCF)C[C@H]21 ZINC001177067003 914472622 /nfs/dbraw/zinc/47/26/22/914472622.db2.gz JDQSNENHFDLYGM-ZIAGYGMSSA-N 1 2 284.375 1.614 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCCF)C[C@H]21 ZINC001177067003 914472632 /nfs/dbraw/zinc/47/26/32/914472632.db2.gz JDQSNENHFDLYGM-ZIAGYGMSSA-N 1 2 284.375 1.614 20 30 CDEDLO C#Cc1ccc(CNC(=O)CN(C)c2cccc[nH+]2)cc1 ZINC001177414238 914673480 /nfs/dbraw/zinc/67/34/80/914673480.db2.gz XMLLCROXAVYRGC-UHFFFAOYSA-N 1 2 279.343 1.816 20 30 CDEDLO CC(=O)/C=C(/C)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177628542 914816404 /nfs/dbraw/zinc/81/64/04/914816404.db2.gz PCFGMDHLCCKHBX-FPAJZGIOSA-N 1 2 276.336 1.853 20 30 CDEDLO CC(=O)/C=C(/C)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC001177628542 914816422 /nfs/dbraw/zinc/81/64/22/914816422.db2.gz PCFGMDHLCCKHBX-FPAJZGIOSA-N 1 2 276.336 1.853 20 30 CDEDLO CC1(C)C[C@@H](NC(=O)Cn2cc[nH+]c2)CCN(CC#N)C1 ZINC001089568249 914823341 /nfs/dbraw/zinc/82/33/41/914823341.db2.gz IIHNEHARPNKJSA-ZDUSSCGKSA-N 1 2 289.383 1.013 20 30 CDEDLO C[N@@H+]1CCC12CN(C(=O)[C@@H](C#N)Cc1cccs1)C2 ZINC001270389557 904589805 /nfs/dbraw/zinc/58/98/05/904589805.db2.gz UCTIYRJCXPDJRH-LLVKDONJSA-N 1 2 275.377 1.347 20 30 CDEDLO C[N@H+]1CCC12CN(C(=O)[C@@H](C#N)Cc1cccs1)C2 ZINC001270389557 904589818 /nfs/dbraw/zinc/58/98/18/904589818.db2.gz UCTIYRJCXPDJRH-LLVKDONJSA-N 1 2 275.377 1.347 20 30 CDEDLO C=C(F)C(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001270931070 905456086 /nfs/dbraw/zinc/45/60/86/905456086.db2.gz BHHFYLBUHLVLBM-UHFFFAOYSA-N 1 2 288.326 1.024 20 30 CDEDLO Cc1c[nH]c(CCNC(=O)c2cccc(CC#N)c2)[nH+]1 ZINC001188682666 921152052 /nfs/dbraw/zinc/15/20/52/921152052.db2.gz UVGPOFINJRMBQE-UHFFFAOYSA-N 1 2 268.320 1.757 20 30 CDEDLO C#Cc1ccc(C(=O)NCCc2cn(C)c[nH+]2)cc1 ZINC001188734808 921174475 /nfs/dbraw/zinc/17/44/75/921174475.db2.gz KDXSKYLVERTKHZ-UHFFFAOYSA-N 1 2 253.305 1.374 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccn(C)n2)[C@H]1CC ZINC001087829103 905883826 /nfs/dbraw/zinc/88/38/26/905883826.db2.gz JQDUSFURCYXQDU-WCQYABFASA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C)n2)[C@H]1CC ZINC001087829103 905883835 /nfs/dbraw/zinc/88/38/35/905883835.db2.gz JQDUSFURCYXQDU-WCQYABFASA-N 1 2 296.802 1.755 20 30 CDEDLO C=CCCC(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128246156 921226790 /nfs/dbraw/zinc/22/67/90/921226790.db2.gz WRJYRQXEMFBSPP-UHFFFAOYSA-N 1 2 262.357 1.301 20 30 CDEDLO C=CCCC(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128246156 921226795 /nfs/dbraw/zinc/22/67/95/921226795.db2.gz WRJYRQXEMFBSPP-UHFFFAOYSA-N 1 2 262.357 1.301 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001128413619 921297511 /nfs/dbraw/zinc/29/75/11/921297511.db2.gz IQUVQBQWTMEUGK-JTQLQIEISA-N 1 2 266.345 1.501 20 30 CDEDLO Cc1nc(NC2(CNC(=O)C#CC3CC3)CC2)cc[nH+]1 ZINC001110131470 909385136 /nfs/dbraw/zinc/38/51/36/909385136.db2.gz LDQTYMIDEQABFK-UHFFFAOYSA-N 1 2 270.336 1.259 20 30 CDEDLO Cc1nc(C[NH2+]CCNC(=O)C#CC(C)(C)C)oc1C ZINC001126893252 909592867 /nfs/dbraw/zinc/59/28/67/909592867.db2.gz IJRWUSGPWDJTME-UHFFFAOYSA-N 1 2 277.368 1.547 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C(C)(F)F)CC2)C1 ZINC001093497010 909833599 /nfs/dbraw/zinc/83/35/99/909833599.db2.gz PWWVMTZDDQBFMZ-UHFFFAOYSA-N 1 2 288.338 1.519 20 30 CDEDLO CCn1nnc2c1CC[N@H+]([C@@H](C)CCCC#N)[C@H]2COC ZINC001172495765 911730111 /nfs/dbraw/zinc/73/01/11/911730111.db2.gz HOYRJXHLYOMSTR-JSGCOSHPSA-N 1 2 291.399 1.926 20 30 CDEDLO CCn1nnc2c1CC[N@@H+]([C@@H](C)CCCC#N)[C@H]2COC ZINC001172495765 911730118 /nfs/dbraw/zinc/73/01/18/911730118.db2.gz HOYRJXHLYOMSTR-JSGCOSHPSA-N 1 2 291.399 1.926 20 30 CDEDLO COC(=O)[C@H]1CCC[C@H]([NH+]2CC(C)(C#N)C2)CC1 ZINC001172782129 911970654 /nfs/dbraw/zinc/97/06/54/911970654.db2.gz MOYCROKTYBLMMV-RYUDHWBXSA-N 1 2 250.342 1.954 20 30 CDEDLO Cc1ccc2c(c1)C[C@H](N1CC[NH2+]C[C@H]1C#N)CC2 ZINC001172827082 912004871 /nfs/dbraw/zinc/00/48/71/912004871.db2.gz JIYHWVWIXFOVPZ-HZPDHXFCSA-N 1 2 255.365 1.650 20 30 CDEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)OC)CC1)C(=O)OC ZINC001172798987 912018058 /nfs/dbraw/zinc/01/80/58/912018058.db2.gz OFINNGDWMUQSFP-XQQFMLRXSA-N 1 2 281.352 1.263 20 30 CDEDLO N#Cc1cc2cccnc2nc1NC(=O)CCc1[nH]cc[nH+]1 ZINC001177992740 915115795 /nfs/dbraw/zinc/11/57/95/915115795.db2.gz CRPUQJOUUZMWFA-UHFFFAOYSA-N 1 2 292.302 1.796 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](c2ccccn2)C2CC2)CC1 ZINC001178236806 915308109 /nfs/dbraw/zinc/30/81/09/915308109.db2.gz CZJSUISMBJFMPR-INIZCTEOSA-N 1 2 285.391 1.905 20 30 CDEDLO C=CCCC(=O)NCC[NH2+][C@@H](C)c1nc(CC)no1 ZINC001124650446 936328824 /nfs/dbraw/zinc/32/88/24/936328824.db2.gz IJMYROLWYZJFBP-JTQLQIEISA-N 1 2 266.345 1.365 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)CC(C)C)C1 ZINC001149103533 936354150 /nfs/dbraw/zinc/35/41/50/936354150.db2.gz GASZTEGZMIDSIK-ZDUSSCGKSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)CC(C)C)C1 ZINC001149103533 936354155 /nfs/dbraw/zinc/35/41/55/936354155.db2.gz GASZTEGZMIDSIK-ZDUSSCGKSA-N 1 2 288.819 1.992 20 30 CDEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC001180769170 916631773 /nfs/dbraw/zinc/63/17/73/916631773.db2.gz SMCRNZSUUHTFFM-QMMMGPOBSA-N 1 2 258.368 1.401 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cocc1C)CO2 ZINC001053895025 936422398 /nfs/dbraw/zinc/42/23/98/936422398.db2.gz XJMUFMIVFNEABW-CYBMUJFWSA-N 1 2 288.347 1.184 20 30 CDEDLO C[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccc(C#N)cc1 ZINC001182800976 918135983 /nfs/dbraw/zinc/13/59/83/918135983.db2.gz WSGRDLBLZCLXSC-DOMZBBRYSA-N 1 2 287.363 1.109 20 30 CDEDLO C[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccc(C#N)cc1 ZINC001182800976 918135992 /nfs/dbraw/zinc/13/59/92/918135992.db2.gz 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/nfs/dbraw/zinc/31/44/69/925314469.db2.gz MNBJUZAOHOQIQF-INIZCTEOSA-N 1 2 292.423 1.797 20 30 CDEDLO COc1ccc(C[N@@H+]2CCC[C@@]23CCN(C)C3=O)c(C#N)c1 ZINC001273239280 925475052 /nfs/dbraw/zinc/47/50/52/925475052.db2.gz BDKGFGGXBBJIIK-KRWDZBQOSA-N 1 2 299.374 1.764 20 30 CDEDLO COc1ccc(C[N@H+]2CCC[C@@]23CCN(C)C3=O)c(C#N)c1 ZINC001273239280 925475056 /nfs/dbraw/zinc/47/50/56/925475056.db2.gz BDKGFGGXBBJIIK-KRWDZBQOSA-N 1 2 299.374 1.764 20 30 CDEDLO CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001085445576 925972282 /nfs/dbraw/zinc/97/22/82/925972282.db2.gz KIPSCOKQHKCTBI-CQSZACIVSA-N 1 2 275.327 1.750 20 30 CDEDLO CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001085445576 925972292 /nfs/dbraw/zinc/97/22/92/925972292.db2.gz KIPSCOKQHKCTBI-CQSZACIVSA-N 1 2 275.327 1.750 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1sccc1C ZINC001085459346 926000004 /nfs/dbraw/zinc/00/00/04/926000004.db2.gz GVHHCQJFPMSFLF-LBPRGKRZSA-N 1 2 262.378 1.836 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1sccc1C ZINC001085459346 926000014 /nfs/dbraw/zinc/00/00/14/926000014.db2.gz GVHHCQJFPMSFLF-LBPRGKRZSA-N 1 2 262.378 1.836 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1snnc1C ZINC001085477525 926037046 /nfs/dbraw/zinc/03/70/46/926037046.db2.gz BEQXIPIFKFGIJH-LLVKDONJSA-N 1 2 280.397 1.569 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1snnc1C ZINC001085477525 926037054 /nfs/dbraw/zinc/03/70/54/926037054.db2.gz BEQXIPIFKFGIJH-LLVKDONJSA-N 1 2 280.397 1.569 20 30 CDEDLO CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)c1cc(C#N)c[nH]1 ZINC001085534555 926125033 /nfs/dbraw/zinc/12/50/33/926125033.db2.gz NVNXMZGVPWUPQP-NSHDSACASA-N 1 2 264.304 1.002 20 30 CDEDLO CN(C[C@@H]1CC[N@H+]1CCF)C(=O)c1cc(C#N)c[nH]1 ZINC001085534555 926125036 /nfs/dbraw/zinc/12/50/36/926125036.db2.gz NVNXMZGVPWUPQP-NSHDSACASA-N 1 2 264.304 1.002 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccncc1C ZINC001085581681 926187520 /nfs/dbraw/zinc/18/75/20/926187520.db2.gz QSBZAIPOMXUBMC-ZDUSSCGKSA-N 1 2 257.337 1.170 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccncc1C ZINC001085581681 926187523 /nfs/dbraw/zinc/18/75/23/926187523.db2.gz QSBZAIPOMXUBMC-ZDUSSCGKSA-N 1 2 257.337 1.170 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)n(C(F)F)n1 ZINC001085620680 926225384 /nfs/dbraw/zinc/22/53/84/926225384.db2.gz VCWGMKFTDXGIAW-LLVKDONJSA-N 1 2 296.321 1.366 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)n(C(F)F)n1 ZINC001085620680 926225390 /nfs/dbraw/zinc/22/53/90/926225390.db2.gz VCWGMKFTDXGIAW-LLVKDONJSA-N 1 2 296.321 1.366 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc3c2cnn3C)CC1 ZINC001201300511 926258003 /nfs/dbraw/zinc/25/80/03/926258003.db2.gz TVEZTNLRKGQERU-UHFFFAOYSA-N 1 2 284.363 1.517 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2ccncc2n1 ZINC001085727328 926328753 /nfs/dbraw/zinc/32/87/53/926328753.db2.gz UZZYTTMTCJLSEJ-CQSZACIVSA-N 1 2 294.358 1.409 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2ccncc2n1 ZINC001085727328 926328763 /nfs/dbraw/zinc/32/87/63/926328763.db2.gz UZZYTTMTCJLSEJ-CQSZACIVSA-N 1 2 294.358 1.409 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cocc1C ZINC001085766273 926368235 /nfs/dbraw/zinc/36/82/35/926368235.db2.gz FMZNWHMXPFRRKD-ZDUSSCGKSA-N 1 2 260.337 1.758 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cocc1C ZINC001085766273 926368241 /nfs/dbraw/zinc/36/82/41/926368241.db2.gz FMZNWHMXPFRRKD-ZDUSSCGKSA-N 1 2 260.337 1.758 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)nc(OC)c1 ZINC001085786377 926396526 /nfs/dbraw/zinc/39/65/26/926396526.db2.gz MSOBBSZEFHCLNF-CQSZACIVSA-N 1 2 287.363 1.178 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)nc(OC)c1 ZINC001085786377 926396530 /nfs/dbraw/zinc/39/65/30/926396530.db2.gz MSOBBSZEFHCLNF-CQSZACIVSA-N 1 2 287.363 1.178 20 30 CDEDLO Cc1c[nH]c(CCNC(=O)C#Cc2ccccc2)[nH+]1 ZINC001142861692 937082019 /nfs/dbraw/zinc/08/20/19/937082019.db2.gz ZUYBPAWNEGOBMU-UHFFFAOYSA-N 1 2 253.305 1.429 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(OCC)c1 ZINC001085844358 926443806 /nfs/dbraw/zinc/44/38/06/926443806.db2.gz LIZUJXDCGKXIDH-HNNXBMFYSA-N 1 2 286.375 1.865 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(OCC)c1 ZINC001085844358 926443809 /nfs/dbraw/zinc/44/38/09/926443809.db2.gz LIZUJXDCGKXIDH-HNNXBMFYSA-N 1 2 286.375 1.865 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nocc1C ZINC001085913162 926496740 /nfs/dbraw/zinc/49/67/40/926496740.db2.gz VRSFYNKGXXRVKG-LBPRGKRZSA-N 1 2 261.325 1.153 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nocc1C ZINC001085913162 926496746 /nfs/dbraw/zinc/49/67/46/926496746.db2.gz VRSFYNKGXXRVKG-LBPRGKRZSA-N 1 2 261.325 1.153 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)n(C)nc1Cl ZINC001085949156 926539207 /nfs/dbraw/zinc/53/92/07/926539207.db2.gz YHYUJLFPHLKMOW-LLVKDONJSA-N 1 2 294.786 1.161 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)n(C)nc1Cl ZINC001085949156 926539215 /nfs/dbraw/zinc/53/92/15/926539215.db2.gz YHYUJLFPHLKMOW-LLVKDONJSA-N 1 2 294.786 1.161 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1Cc2ccccc2CO1 ZINC001085953673 926542823 /nfs/dbraw/zinc/54/28/23/926542823.db2.gz HGHACAQTGDAEJZ-SJORKVTESA-N 1 2 298.386 1.294 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1Cc2ccccc2CO1 ZINC001085953673 926542830 /nfs/dbraw/zinc/54/28/30/926542830.db2.gz HGHACAQTGDAEJZ-SJORKVTESA-N 1 2 298.386 1.294 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(N)=O)cs1 ZINC001085988781 926575511 /nfs/dbraw/zinc/57/55/11/926575511.db2.gz ATVVFWSOKXSLRV-LLVKDONJSA-N 1 2 293.392 1.179 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(N)=O)cs1 ZINC001085988781 926575517 /nfs/dbraw/zinc/57/55/17/926575517.db2.gz ATVVFWSOKXSLRV-LLVKDONJSA-N 1 2 293.392 1.179 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NC[C@H](CC)Nc1cc[nH+]c(C)n1 ZINC001103072103 937120299 /nfs/dbraw/zinc/12/02/99/937120299.db2.gz MFOWNYFDPQXEDD-SWLSCSKDSA-N 1 2 292.383 1.419 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Nc2cccc3[nH]cc(CC#N)c32)C[NH2+]1 ZINC001169136665 927750154 /nfs/dbraw/zinc/75/01/54/927750154.db2.gz NZLOPOIFJVHRJC-RISCZKNCSA-N 1 2 298.346 1.549 20 30 CDEDLO Cc1nc(N(C)C[C@@H](C)NC(=O)C#CC(C)C)cc[nH+]1 ZINC001108938051 928731849 /nfs/dbraw/zinc/73/18/49/928731849.db2.gz GEGIELWNTYBWAN-GFCCVEGCSA-N 1 2 274.368 1.385 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2cncc(F)c2)C[C@H]1C ZINC001206641313 937286886 /nfs/dbraw/zinc/28/68/86/937286886.db2.gz QWPQSBINJSWWNM-JTNHKYCSSA-N 1 2 290.342 1.317 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2cncc(F)c2)C[C@H]1C ZINC001206641313 937286887 /nfs/dbraw/zinc/28/68/87/937286887.db2.gz QWPQSBINJSWWNM-JTNHKYCSSA-N 1 2 290.342 1.317 20 30 CDEDLO CN(CCCNc1ncccc1C#N)C(=O)Cn1cc[nH+]c1 ZINC001109472208 928949879 /nfs/dbraw/zinc/94/98/79/928949879.db2.gz AJSQWKOVHNVSIG-UHFFFAOYSA-N 1 2 298.350 1.110 20 30 CDEDLO Cc1nc(NC[C@H](NC(=O)[C@@H](C)C#N)C2CC2)cc[nH+]1 ZINC001109795259 929051344 /nfs/dbraw/zinc/05/13/44/929051344.db2.gz ANPCNHNQRARALB-CABZTGNLSA-N 1 2 273.340 1.251 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(C)o2)CC1 ZINC001112601546 929234604 /nfs/dbraw/zinc/23/46/04/929234604.db2.gz ZTWZSRRZDAWJHT-UHFFFAOYSA-N 1 2 278.352 1.548 20 30 CDEDLO C=CCCC(=O)N1CC[NH+](CCOCC(C)C)CC1 ZINC001112687562 929325487 /nfs/dbraw/zinc/32/54/87/929325487.db2.gz GQXVWTVJMBSNMJ-UHFFFAOYSA-N 1 2 268.401 1.769 20 30 CDEDLO Cc1cnc(C[NH2+]CCNC(=O)CC#Cc2ccccc2)o1 ZINC001151952757 937321816 /nfs/dbraw/zinc/32/18/16/937321816.db2.gz FVWLCJVXSBHTAE-UHFFFAOYSA-N 1 2 297.358 1.631 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[C@H](C)NCC#N)ccn12 ZINC001134376214 929712891 /nfs/dbraw/zinc/71/28/91/929712891.db2.gz JIRWMHGHVZEOLU-NWDGAFQWSA-N 1 2 299.378 1.653 20 30 CDEDLO CC[N@H+](Cc1nocc1C)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152413362 937360027 /nfs/dbraw/zinc/36/00/27/937360027.db2.gz NVOKEICKNNHNAB-ZYHUDNBSSA-N 1 2 278.356 1.469 20 30 CDEDLO CC[N@@H+](Cc1nocc1C)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152413362 937360028 /nfs/dbraw/zinc/36/00/28/937360028.db2.gz NVOKEICKNNHNAB-ZYHUDNBSSA-N 1 2 278.356 1.469 20 30 CDEDLO N#CCN[C@@H]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001086732998 930173308 /nfs/dbraw/zinc/17/33/08/930173308.db2.gz OCJNNDIYVUTYRJ-WCQYABFASA-N 1 2 297.362 1.575 20 30 CDEDLO C#CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ncccn1 ZINC001153024726 937410376 /nfs/dbraw/zinc/41/03/76/937410376.db2.gz AYYJHDSMGGKIOM-CQSZACIVSA-N 1 2 288.395 1.607 20 30 CDEDLO C#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncccn1 ZINC001153024726 937410377 /nfs/dbraw/zinc/41/03/77/937410377.db2.gz AYYJHDSMGGKIOM-CQSZACIVSA-N 1 2 288.395 1.607 20 30 CDEDLO C#CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nonc1C ZINC001153025057 937411094 /nfs/dbraw/zinc/41/10/94/937411094.db2.gz MZPOAHIRGHFZMM-GFCCVEGCSA-N 1 2 292.383 1.508 20 30 CDEDLO C#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nonc1C ZINC001153025057 937411096 /nfs/dbraw/zinc/41/10/96/937411096.db2.gz MZPOAHIRGHFZMM-GFCCVEGCSA-N 1 2 292.383 1.508 20 30 CDEDLO NC(=[NH+]O[C@@H]1CCN(C2CC2)C1=O)c1ccc(F)cc1 ZINC001116200502 937436391 /nfs/dbraw/zinc/43/63/91/937436391.db2.gz YFJBOFYXYFPMBX-GFCCVEGCSA-N 1 2 277.299 1.226 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C[C@H](C)CCC)C1 ZINC000885511678 930731675 /nfs/dbraw/zinc/73/16/75/930731675.db2.gz LKQRBWYCOFZANX-KGLIPLIRSA-N 1 2 286.441 1.440 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C[C@H](C)CCC)C1 ZINC000885511678 930731680 /nfs/dbraw/zinc/73/16/80/930731680.db2.gz LKQRBWYCOFZANX-KGLIPLIRSA-N 1 2 286.441 1.440 20 30 CDEDLO COCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCC#N ZINC001274031858 931132358 /nfs/dbraw/zinc/13/23/58/931132358.db2.gz AYHIMHUTFOUGFR-OAHLLOKOSA-N 1 2 279.384 1.394 20 30 CDEDLO COCCCN1C[C@]2(CC1=O)CCCC[N@H+]2CCC#N ZINC001274031858 931132362 /nfs/dbraw/zinc/13/23/62/931132362.db2.gz AYHIMHUTFOUGFR-OAHLLOKOSA-N 1 2 279.384 1.394 20 30 CDEDLO COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC#N ZINC001274032565 931134298 /nfs/dbraw/zinc/13/42/98/931134298.db2.gz SAGUDQILVGJFCE-CHWSQXEVSA-N 1 2 265.357 1.002 20 30 CDEDLO COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC#N ZINC001274032565 931134302 /nfs/dbraw/zinc/13/43/02/931134302.db2.gz SAGUDQILVGJFCE-CHWSQXEVSA-N 1 2 265.357 1.002 20 30 CDEDLO C=C(C)CN1C[C@@]2(F)CN(c3cccc[nH+]3)C[C@@]2(F)C1=O ZINC001274739403 931563647 /nfs/dbraw/zinc/56/36/47/931563647.db2.gz IVUVVHKZPQRASH-HUUCEWRRSA-N 1 2 293.317 1.737 20 30 CDEDLO O=C(CCS)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001143992261 931621384 /nfs/dbraw/zinc/62/13/84/931621384.db2.gz AXZXITDCCKHJJZ-SNVBAGLBSA-N 1 2 251.355 1.096 20 30 CDEDLO CCOC(=O)C1(F)CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC001144160733 931675697 /nfs/dbraw/zinc/67/56/97/931675697.db2.gz TXCMBRPZNLLHLB-UHFFFAOYSA-N 1 2 291.326 1.820 20 30 CDEDLO N=C(Nc1cc2[nH+]c[nH]c2cc1F)c1ccc(C(N)=O)cc1 ZINC001171258541 932171079 /nfs/dbraw/zinc/17/10/79/932171079.db2.gz CUTNTXNZVVPGNU-UHFFFAOYSA-N 1 2 297.293 1.838 20 30 CDEDLO C[C@H](C[C@H](C)NCC#N)NC(=O)CCCn1cc[nH+]c1 ZINC001146706179 932285807 /nfs/dbraw/zinc/28/58/07/932285807.db2.gz AIXZMDLUAYVPOA-QWHCGFSZSA-N 1 2 277.372 1.060 20 30 CDEDLO C=C(CC)CNC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001118097631 937590740 /nfs/dbraw/zinc/59/07/40/937590740.db2.gz OLBOPBBGFCLESV-UHFFFAOYSA-N 1 2 290.367 1.198 20 30 CDEDLO C=CC[NH+]1CCN([C@@H]2CC[C@H](C(=O)OCC)C2)CC1 ZINC001257064762 932740720 /nfs/dbraw/zinc/74/07/20/932740720.db2.gz XNDYKAAMKLRTAQ-UONOGXRCSA-N 1 2 266.385 1.522 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCC1(Nc2cc[nH+]c(C)n2)CC1 ZINC001110124620 932887705 /nfs/dbraw/zinc/88/77/05/932887705.db2.gz URHQMLKXHRYVDO-AWEZNQCLSA-N 1 2 290.367 1.173 20 30 CDEDLO C=CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)[O-] ZINC001119536825 937729466 /nfs/dbraw/zinc/72/94/66/937729466.db2.gz RWBYNOLFTIOXPN-KGLIPLIRSA-N 1 2 282.384 1.249 20 30 CDEDLO CCC(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001009816220 935434798 /nfs/dbraw/zinc/43/47/98/935434798.db2.gz PSQXMLSVCDJJLQ-ZDUSSCGKSA-N 1 2 275.327 1.798 20 30 CDEDLO CCC(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001009816220 935434801 /nfs/dbraw/zinc/43/48/01/935434801.db2.gz PSQXMLSVCDJJLQ-ZDUSSCGKSA-N 1 2 275.327 1.798 20 30 CDEDLO Cn1nncc1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001238158160 945102359 /nfs/dbraw/zinc/10/23/59/945102359.db2.gz SBJQMTXRCPQLIK-UHFFFAOYSA-N 1 2 281.363 1.872 20 30 CDEDLO CC#CCCCC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096468714 936106089 /nfs/dbraw/zinc/10/60/89/936106089.db2.gz ORYCXMBUJRFERE-AWEZNQCLSA-N 1 2 286.379 1.674 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn[nH]1)C2 ZINC001096827358 936225546 /nfs/dbraw/zinc/22/55/46/936225546.db2.gz GRTMOGQDCCUCIB-JLLWLGSASA-N 1 2 280.759 1.497 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn[nH]1)C2 ZINC001096827358 936225548 /nfs/dbraw/zinc/22/55/48/936225548.db2.gz GRTMOGQDCCUCIB-JLLWLGSASA-N 1 2 280.759 1.497 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCOC1)C2 ZINC001096869078 936229185 /nfs/dbraw/zinc/22/91/85/936229185.db2.gz PDLMRJVXNKBOQR-DGAVXFQQSA-N 1 2 298.814 1.887 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCOC1)C2 ZINC001096869078 936229188 /nfs/dbraw/zinc/22/91/88/936229188.db2.gz PDLMRJVXNKBOQR-DGAVXFQQSA-N 1 2 298.814 1.887 20 30 CDEDLO Cc1nc(N[C@H]2C[C@H](NC(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001097025733 936258925 /nfs/dbraw/zinc/25/89/25/936258925.db2.gz IQBXXAQKDXYFTB-JOCQHMNTSA-N 1 2 272.352 1.504 20 30 CDEDLO C=C1CC(C)(C(=O)NC[C@H](CO)Nc2cc[nH+]c(C)n2)C1 ZINC001122500918 937937962 /nfs/dbraw/zinc/93/79/62/937937962.db2.gz NGYTYBJMJWKXNI-GFCCVEGCSA-N 1 2 290.367 1.030 20 30 CDEDLO CC(C)(c1ccnc(Cl)c1)N1CC[NH2+]C[C@@H]1C#N ZINC001156333165 938353281 /nfs/dbraw/zinc/35/32/81/938353281.db2.gz UVJBNYVGBYHTFN-NSHDSACASA-N 1 2 264.760 1.767 20 30 CDEDLO COc1cc(C[N@@H+]2CCOC3(CC3)C2)ccc1C#N ZINC001238416975 945173019 /nfs/dbraw/zinc/17/30/19/945173019.db2.gz TUNCAULNRBRPPZ-UHFFFAOYSA-N 1 2 258.321 1.932 20 30 CDEDLO COc1cc(C[N@H+]2CCOC3(CC3)C2)ccc1C#N ZINC001238416975 945173022 /nfs/dbraw/zinc/17/30/22/945173022.db2.gz TUNCAULNRBRPPZ-UHFFFAOYSA-N 1 2 258.321 1.932 20 30 CDEDLO CCNC(=O)CN(C)c1[nH+]ccc2ccc(C#N)cc21 ZINC001163909592 939349478 /nfs/dbraw/zinc/34/94/78/939349478.db2.gz MBHTVLQPRRUVFD-UHFFFAOYSA-N 1 2 268.320 1.679 20 30 CDEDLO N#Cc1c[nH]c2cc[nH+]c(N3CC(O)(C(F)(F)F)C3)c12 ZINC001164165493 939423889 /nfs/dbraw/zinc/42/38/89/939423889.db2.gz JFWQLRLTUZLKAE-UHFFFAOYSA-N 1 2 282.225 1.548 20 30 CDEDLO COc1nc(N2CC[NH2+]CC(F)(F)C2)c(F)cc1C#N ZINC001164497656 939479544 /nfs/dbraw/zinc/47/95/44/939479544.db2.gz JUVGNYBSZLVHDE-UHFFFAOYSA-N 1 2 286.257 1.146 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1ccnc(Cl)c1F ZINC001164642300 939501405 /nfs/dbraw/zinc/50/14/05/939501405.db2.gz UKJCAODEMAHKPD-SSDOTTSWSA-N 1 2 290.676 1.721 20 30 CDEDLO Cc1cccc2c1ccnc2N1CC[NH2+]C[C@H]1C#N ZINC001164652975 939502557 /nfs/dbraw/zinc/50/25/57/939502557.db2.gz WWNZBWUOTYZFTJ-GFCCVEGCSA-N 1 2 252.321 1.845 20 30 CDEDLO C#Cc1cc(Nc2ccc(S(C)(=O)=O)nc2)cc[nH+]1 ZINC001205605819 939907311 /nfs/dbraw/zinc/90/73/11/939907311.db2.gz QYFJNVNVOZBNBR-UHFFFAOYSA-N 1 2 273.317 1.027 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cccc(Br)n2)CC1 ZINC001205976348 939962732 /nfs/dbraw/zinc/96/27/32/939962732.db2.gz MUBVDWYKGWVBFX-UHFFFAOYSA-N 1 2 294.196 1.595 20 30 CDEDLO Cn1cc(C[N@@H+]2CC[C@@](C)(O)[C@@H](F)C2)cc1C#N ZINC001207102597 940149812 /nfs/dbraw/zinc/14/98/12/940149812.db2.gz CBYKJOJRUAEYLP-QWHCGFSZSA-N 1 2 251.305 1.192 20 30 CDEDLO Cn1cc(C[N@H+]2CC[C@@](C)(O)[C@@H](F)C2)cc1C#N ZINC001207102597 940149813 /nfs/dbraw/zinc/14/98/13/940149813.db2.gz CBYKJOJRUAEYLP-QWHCGFSZSA-N 1 2 251.305 1.192 20 30 CDEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1C ZINC001208371192 940325862 /nfs/dbraw/zinc/32/58/62/940325862.db2.gz JIFUTVNHRUTZQW-UKRRQHHQSA-N 1 2 289.379 1.805 20 30 CDEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1C ZINC001208371192 940325867 /nfs/dbraw/zinc/32/58/67/940325867.db2.gz JIFUTVNHRUTZQW-UKRRQHHQSA-N 1 2 289.379 1.805 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(CF)CC2)C1 ZINC001208563337 940341288 /nfs/dbraw/zinc/34/12/88/940341288.db2.gz MDLHCAQWLSAYIY-MWLCHTKSSA-N 1 2 274.767 1.925 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(CF)CC2)C1 ZINC001208563337 940341291 /nfs/dbraw/zinc/34/12/91/940341291.db2.gz MDLHCAQWLSAYIY-MWLCHTKSSA-N 1 2 274.767 1.925 20 30 CDEDLO C#CC[NH+](CC#C)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC001208984605 940419319 /nfs/dbraw/zinc/41/93/19/940419319.db2.gz MIQAUKUWLQCQDB-AWEZNQCLSA-N 1 2 292.379 1.191 20 30 CDEDLO C=CCN(CC[N@@H+]1CCc2ncncc2C1)C(=O)OCC ZINC001209021842 940425233 /nfs/dbraw/zinc/42/52/33/940425233.db2.gz FMXOHMCUGVEROZ-UHFFFAOYSA-N 1 2 290.367 1.479 20 30 CDEDLO C=CCN(CC[N@H+]1CCc2ncncc2C1)C(=O)OCC ZINC001209021842 940425235 /nfs/dbraw/zinc/42/52/35/940425235.db2.gz FMXOHMCUGVEROZ-UHFFFAOYSA-N 1 2 290.367 1.479 20 30 CDEDLO C=CCCC[NH+]1CCN(C(=O)C(F)(F)F)CC1 ZINC001209157296 940441041 /nfs/dbraw/zinc/44/10/41/940441041.db2.gz RSSABHJEUBZTKD-UHFFFAOYSA-N 1 2 250.264 1.659 20 30 CDEDLO C=CCCCC(=O)N1CCC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001209335548 940462349 /nfs/dbraw/zinc/46/23/49/940462349.db2.gz NYCIXMHCPFYQTR-ZDUSSCGKSA-N 1 2 292.383 1.815 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001213320129 940769504 /nfs/dbraw/zinc/76/95/04/940769504.db2.gz NJQXVVGHMWCYJV-JHJVBQTASA-N 1 2 272.364 1.374 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001213320129 940769508 /nfs/dbraw/zinc/76/95/08/940769508.db2.gz NJQXVVGHMWCYJV-JHJVBQTASA-N 1 2 272.364 1.374 20 30 CDEDLO COc1ccc(OC)c(/C(=N/O)O[C@H]2CC[NH2+]C2)c1 ZINC001217822800 941021198 /nfs/dbraw/zinc/02/11/98/941021198.db2.gz QJGQHVJIEABZDM-ZSNVJIKNSA-N 1 2 266.297 1.218 20 30 CDEDLO CC1=CC(=O)c2c(O[C@H]3C[NH2+]CC3(F)F)cccc2C1=O ZINC001218237342 941047995 /nfs/dbraw/zinc/04/79/95/941047995.db2.gz UQOAFVRYQZHJBB-LBPRGKRZSA-N 1 2 293.269 1.998 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCCCCC)[C@H]2C1 ZINC001219016851 941301654 /nfs/dbraw/zinc/30/16/54/941301654.db2.gz OFWBWYNHBQDDOO-LSDHHAIUSA-N 1 2 278.396 1.502 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCCCCC)[C@H]2C1 ZINC001219016851 941301658 /nfs/dbraw/zinc/30/16/58/941301658.db2.gz OFWBWYNHBQDDOO-LSDHHAIUSA-N 1 2 278.396 1.502 20 30 CDEDLO C#C[C@](C)([NH3+])C(=O)Nc1cccc(C(F)(F)F)c1O ZINC001219311248 941328580 /nfs/dbraw/zinc/32/85/80/941328580.db2.gz VICHMJGFMRLXSV-NSHDSACASA-N 1 2 272.226 1.700 20 30 CDEDLO Cc1cnc(C[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)s1 ZINC001226625507 942036520 /nfs/dbraw/zinc/03/65/20/942036520.db2.gz LFLBBHHKQRTXKM-JTQLQIEISA-N 1 2 292.408 1.692 20 30 CDEDLO C=CCCCCC[N@H+]1Cc2ccnn2CC[C@@H]1C(N)=O ZINC001277151070 942058465 /nfs/dbraw/zinc/05/84/65/942058465.db2.gz HTRWTAVAZDAZRA-CQSZACIVSA-N 1 2 276.384 1.689 20 30 CDEDLO C=CCCCCC[N@@H+]1Cc2ccnn2CC[C@@H]1C(N)=O ZINC001277151070 942058468 /nfs/dbraw/zinc/05/84/68/942058468.db2.gz HTRWTAVAZDAZRA-CQSZACIVSA-N 1 2 276.384 1.689 20 30 CDEDLO CCc1cc(C#N)ccc1C[N@H+]1C[C@H]2CN(C)C[C@@H](C1)O2 ZINC001277239458 942221611 /nfs/dbraw/zinc/22/16/11/942221611.db2.gz PTMKAKZUZYYTEV-CALCHBBNSA-N 1 2 285.391 1.635 20 30 CDEDLO CCc1cc(C#N)ccc1C[N@@H+]1C[C@H]2CN(C)C[C@@H](C1)O2 ZINC001277239458 942221616 /nfs/dbraw/zinc/22/16/16/942221616.db2.gz PTMKAKZUZYYTEV-CALCHBBNSA-N 1 2 285.391 1.635 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Oc1cc(F)c(C#N)c(F)c1 ZINC001228221385 942282963 /nfs/dbraw/zinc/28/29/63/942282963.db2.gz PTXSYVVAUZOUSF-JTQLQIEISA-N 1 2 282.290 1.936 20 30 CDEDLO Cn1c2ccccc2nc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001228657113 942348775 /nfs/dbraw/zinc/34/87/75/942348775.db2.gz FGAXXHXEGIHMFE-BSRWDCPYSA-N 1 2 285.347 1.565 20 30 CDEDLO Cn1c2ccccc2nc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001228657113 942348779 /nfs/dbraw/zinc/34/87/79/942348779.db2.gz FGAXXHXEGIHMFE-BSRWDCPYSA-N 1 2 285.347 1.565 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001316601538 942419848 /nfs/dbraw/zinc/41/98/48/942419848.db2.gz OVETWMYHXYERHV-ZFWWWQNUSA-N 1 2 286.391 1.717 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001316601538 942419852 /nfs/dbraw/zinc/41/98/52/942419852.db2.gz OVETWMYHXYERHV-ZFWWWQNUSA-N 1 2 286.391 1.717 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001316601536 942420068 /nfs/dbraw/zinc/42/00/68/942420068.db2.gz OVETWMYHXYERHV-UKRRQHHQSA-N 1 2 286.391 1.717 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001316601536 942420071 /nfs/dbraw/zinc/42/00/71/942420071.db2.gz OVETWMYHXYERHV-UKRRQHHQSA-N 1 2 286.391 1.717 20 30 CDEDLO CCOCC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230503528 942626044 /nfs/dbraw/zinc/62/60/44/942626044.db2.gz HQQQFVVRHYIOHX-CQSZACIVSA-N 1 2 279.384 1.249 20 30 CDEDLO CCOCC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001230503528 942626052 /nfs/dbraw/zinc/62/60/52/942626052.db2.gz HQQQFVVRHYIOHX-CQSZACIVSA-N 1 2 279.384 1.249 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4ccncc4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230726114 942685480 /nfs/dbraw/zinc/68/54/80/942685480.db2.gz MDBDLDKJZMLCTH-UCHAVSLVSA-N 1 2 283.331 1.621 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4ccncc4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230726114 942685483 /nfs/dbraw/zinc/68/54/83/942685483.db2.gz MDBDLDKJZMLCTH-UCHAVSLVSA-N 1 2 283.331 1.621 20 30 CDEDLO N#CCCN1CC(Oc2cc3c(cc2O)C=[NH+]CC3)C1 ZINC001230921914 942735117 /nfs/dbraw/zinc/73/51/17/942735117.db2.gz VQQKSNFZKKPFNR-UHFFFAOYSA-N 1 2 271.320 1.344 20 30 CDEDLO C=C(Br)C[N@H+](C)CCCNC(=O)C1CC1 ZINC001231064323 942772347 /nfs/dbraw/zinc/77/23/47/942772347.db2.gz FNNSTFMPYRXETC-UHFFFAOYSA-N 1 2 275.190 1.743 20 30 CDEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)C1CC1 ZINC001231064323 942772348 /nfs/dbraw/zinc/77/23/48/942772348.db2.gz FNNSTFMPYRXETC-UHFFFAOYSA-N 1 2 275.190 1.743 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)OCCCC ZINC001231093547 942782376 /nfs/dbraw/zinc/78/23/76/942782376.db2.gz BLJCOZXYVOLEQA-KGLIPLIRSA-N 1 2 266.385 1.358 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)OCCCC ZINC001231093547 942782377 /nfs/dbraw/zinc/78/23/77/942782377.db2.gz BLJCOZXYVOLEQA-KGLIPLIRSA-N 1 2 266.385 1.358 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(C)no1 ZINC001231227089 942823515 /nfs/dbraw/zinc/82/35/15/942823515.db2.gz VFCCUSDKGIYYCG-CYBMUJFWSA-N 1 2 293.367 1.218 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(C)no1 ZINC001231227089 942823523 /nfs/dbraw/zinc/82/35/23/942823523.db2.gz VFCCUSDKGIYYCG-CYBMUJFWSA-N 1 2 293.367 1.218 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2ccc3ccc(C#N)cc3n2)C1 ZINC001231366704 942868169 /nfs/dbraw/zinc/86/81/69/942868169.db2.gz HQEWXECUKCXHPJ-CQSZACIVSA-N 1 2 283.331 1.816 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2ccc3ccc(C#N)cc3n2)C1 ZINC001231366704 942868173 /nfs/dbraw/zinc/86/81/73/942868173.db2.gz HQEWXECUKCXHPJ-CQSZACIVSA-N 1 2 283.331 1.816 20 30 CDEDLO Cn1cnnc1C1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232678600 943360125 /nfs/dbraw/zinc/36/01/25/943360125.db2.gz JHHKFISTCFRMOO-UHFFFAOYSA-N 1 2 297.362 1.772 20 30 CDEDLO COc1cc(/C=N/O)ccc1OC[C@@H]1C[N@H+](C)CCO1 ZINC001233801533 943662540 /nfs/dbraw/zinc/66/25/40/943662540.db2.gz BBITVALOSLBWDS-AAWHYMEISA-N 1 2 280.324 1.213 20 30 CDEDLO COc1cc(/C=N/O)ccc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001233801533 943662543 /nfs/dbraw/zinc/66/25/43/943662543.db2.gz BBITVALOSLBWDS-AAWHYMEISA-N 1 2 280.324 1.213 20 30 CDEDLO Cc1ncc(C[N@H+]2CC[C@@H]2CN(C)C(=O)C#CC2CC2)o1 ZINC001234187331 943768944 /nfs/dbraw/zinc/76/89/44/943768944.db2.gz XAFBUSZQHPLCHA-CQSZACIVSA-N 1 2 287.363 1.429 20 30 CDEDLO Cc1ncc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)C#CC2CC2)o1 ZINC001234187331 943768950 /nfs/dbraw/zinc/76/89/50/943768950.db2.gz XAFBUSZQHPLCHA-CQSZACIVSA-N 1 2 287.363 1.429 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)NCC#Cc1ccccc1 ZINC001263703901 943944202 /nfs/dbraw/zinc/94/42/02/943944202.db2.gz FQRUCOCFHOTLDY-UHFFFAOYSA-N 1 2 267.332 1.521 20 30 CDEDLO Cc1cc(=O)c(C)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)[nH]1 ZINC001234863871 943961001 /nfs/dbraw/zinc/96/10/01/943961001.db2.gz BHYMABKDEOASLN-GQTXGERZSA-N 1 2 276.336 1.395 20 30 CDEDLO Cc1cc(=O)c(C)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)[nH]1 ZINC001234863871 943961004 /nfs/dbraw/zinc/96/10/04/943961004.db2.gz BHYMABKDEOASLN-GQTXGERZSA-N 1 2 276.336 1.395 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnc(OCC)c(F)c2)CC1 ZINC001236700589 944547330 /nfs/dbraw/zinc/54/73/30/944547330.db2.gz LIHPIGZNOUWSSJ-UHFFFAOYSA-N 1 2 277.343 1.370 20 30 CDEDLO COC(=O)N1CCC[N@H+](Cc2ccnc(C#N)c2)CC1 ZINC001237459563 944793056 /nfs/dbraw/zinc/79/30/56/944793056.db2.gz UVGZIUMNSXGFGK-UHFFFAOYSA-N 1 2 274.324 1.227 20 30 CDEDLO COC(=O)N1CCC[N@@H+](Cc2ccnc(C#N)c2)CC1 ZINC001237459563 944793060 /nfs/dbraw/zinc/79/30/60/944793060.db2.gz UVGZIUMNSXGFGK-UHFFFAOYSA-N 1 2 274.324 1.227 20 30 CDEDLO C=CCS(=O)(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC001259922101 945703878 /nfs/dbraw/zinc/70/38/78/945703878.db2.gz KLWVTEZGLHIUOO-UHFFFAOYSA-N 1 2 281.381 1.110 20 30 CDEDLO N#Cc1ccc(CNC(=O)Cc2[nH]cc[nH+]2)cc1Cl ZINC001362388039 971217073 /nfs/dbraw/zinc/21/70/73/971217073.db2.gz NZOHMKILOQHUSK-UHFFFAOYSA-N 1 2 274.711 1.794 20 30 CDEDLO CC(=O)N1CCC([N@@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001254423664 947434578 /nfs/dbraw/zinc/43/45/78/947434578.db2.gz KBNVYUSOMSGNEA-ZDUSSCGKSA-N 1 2 280.393 1.271 20 30 CDEDLO CC(=O)N1CCC([N@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001254423664 947434588 /nfs/dbraw/zinc/43/45/88/947434588.db2.gz KBNVYUSOMSGNEA-ZDUSSCGKSA-N 1 2 280.393 1.271 20 30 CDEDLO CC(=O)N1CCC([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001254423664 947434595 /nfs/dbraw/zinc/43/45/95/947434595.db2.gz KBNVYUSOMSGNEA-ZDUSSCGKSA-N 1 2 280.393 1.271 20 30 CDEDLO CC(=O)N1CCC([N@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001254423664 947434601 /nfs/dbraw/zinc/43/46/01/947434601.db2.gz KBNVYUSOMSGNEA-ZDUSSCGKSA-N 1 2 280.393 1.271 20 30 CDEDLO CCOC(=O)c1noc(C[NH2+][C@H]2CC[C@@H](C#N)C2)n1 ZINC001254645186 947567313 /nfs/dbraw/zinc/56/73/13/947567313.db2.gz ASMMGINZXZZSHQ-BDAKNGLRSA-N 1 2 264.285 1.028 20 30 CDEDLO COC(=O)c1cnc2c(c1)C[N@H+]([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC001254679845 947593494 /nfs/dbraw/zinc/59/34/94/947593494.db2.gz QBUPOIJCUOBARH-BXUZGUMPSA-N 1 2 285.347 1.919 20 30 CDEDLO COC(=O)c1cnc2c(c1)C[N@@H+]([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC001254679845 947593502 /nfs/dbraw/zinc/59/35/02/947593502.db2.gz QBUPOIJCUOBARH-BXUZGUMPSA-N 1 2 285.347 1.919 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CC[C@H](Oc2nccc(OC)n2)C1 ZINC001255177120 947766542 /nfs/dbraw/zinc/76/65/42/947766542.db2.gz MOARNLYWOOWKJY-NEPJUHHUSA-N 1 2 276.340 1.631 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CC[C@H](Oc2nccc(OC)n2)C1 ZINC001255177120 947766547 /nfs/dbraw/zinc/76/65/47/947766547.db2.gz MOARNLYWOOWKJY-NEPJUHHUSA-N 1 2 276.340 1.631 20 30 CDEDLO CCOC(=O)N1CC[C@@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001256033706 948170500 /nfs/dbraw/zinc/17/05/00/948170500.db2.gz SSCXTKQHZRIDAT-VXGBXAGGSA-N 1 2 296.392 1.491 20 30 CDEDLO CCOC(=O)N1CC[C@@H]([N@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001256033706 948170503 /nfs/dbraw/zinc/17/05/03/948170503.db2.gz SSCXTKQHZRIDAT-VXGBXAGGSA-N 1 2 296.392 1.491 20 30 CDEDLO N#Cc1cnc(-c2ccccc2C[NH+]2CCOCC2)nc1 ZINC001250507377 950226934 /nfs/dbraw/zinc/22/69/34/950226934.db2.gz HTFOGPOSBNCSES-UHFFFAOYSA-N 1 2 280.331 1.847 20 30 CDEDLO Cc1cc(C#N)c(NC[C@@H](O)C[NH+]2CCOCC2)s1 ZINC001251003128 950553986 /nfs/dbraw/zinc/55/39/86/950553986.db2.gz GCOWILKKJQCKQL-GFCCVEGCSA-N 1 2 281.381 1.033 20 30 CDEDLO C=C[C@H](COC)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001325493774 953929122 /nfs/dbraw/zinc/92/91/22/953929122.db2.gz VAGNQVRIUISNHC-CYBMUJFWSA-N 1 2 263.341 1.699 20 30 CDEDLO C=C[C@@H](C)ONC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001327282976 954811871 /nfs/dbraw/zinc/81/18/71/954811871.db2.gz NYPIHLMMNJUQQX-CHWSQXEVSA-N 1 2 292.383 1.890 20 30 CDEDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001364654867 954966120 /nfs/dbraw/zinc/96/61/20/954966120.db2.gz UIOWGXZCVDGWNB-LSDHHAIUSA-N 1 2 287.363 1.048 20 30 CDEDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001364654867 954966134 /nfs/dbraw/zinc/96/61/34/954966134.db2.gz UIOWGXZCVDGWNB-LSDHHAIUSA-N 1 2 287.363 1.048 20 30 CDEDLO Cc1noc([C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H](C)C#N)n1 ZINC001421841842 955588555 /nfs/dbraw/zinc/58/85/55/955588555.db2.gz PLYNLAFCXBLNKU-MNOVXSKESA-N 1 2 293.371 1.379 20 30 CDEDLO Cc1noc([C@H](C)[N@H+](C)CCCN(C)C(=O)[C@H](C)C#N)n1 ZINC001421841842 955588567 /nfs/dbraw/zinc/58/85/67/955588567.db2.gz PLYNLAFCXBLNKU-MNOVXSKESA-N 1 2 293.371 1.379 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(Cl)cc2O)C1 ZINC001303556341 956097516 /nfs/dbraw/zinc/09/75/16/956097516.db2.gz DOKBRULYUWLMKY-LBPRGKRZSA-N 1 2 292.766 1.873 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)cc2O)C1 ZINC001303556341 956097531 /nfs/dbraw/zinc/09/75/31/956097531.db2.gz DOKBRULYUWLMKY-LBPRGKRZSA-N 1 2 292.766 1.873 20 30 CDEDLO C=CC[N@H+](CC(=O)OCC)C[C@H](OCC)C1CC1 ZINC001307439076 956411678 /nfs/dbraw/zinc/41/16/78/956411678.db2.gz UGZGVNCVIPSCTL-ZDUSSCGKSA-N 1 2 255.358 1.853 20 30 CDEDLO C=CC[N@@H+](CC(=O)OCC)C[C@H](OCC)C1CC1 ZINC001307439076 956411683 /nfs/dbraw/zinc/41/16/83/956411683.db2.gz UGZGVNCVIPSCTL-ZDUSSCGKSA-N 1 2 255.358 1.853 20 30 CDEDLO C=CCC1(O)C[NH+](Cc2ccc(/C=C\C(=O)OC)o2)C1 ZINC001308980229 956608067 /nfs/dbraw/zinc/60/80/67/956608067.db2.gz OIRDMJHIGCWNMP-SREVYHEPSA-N 1 2 277.320 1.589 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC)C1 ZINC001316949855 957144688 /nfs/dbraw/zinc/14/46/88/957144688.db2.gz BHNBIKXRUYCNGM-CYBMUJFWSA-N 1 2 295.427 1.305 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC)C1 ZINC001316949855 957144693 /nfs/dbraw/zinc/14/46/93/957144693.db2.gz BHNBIKXRUYCNGM-CYBMUJFWSA-N 1 2 295.427 1.305 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cn(CC)cn1 ZINC001367848074 958431340 /nfs/dbraw/zinc/43/13/40/958431340.db2.gz ICUKYOUXDRLCMO-LLVKDONJSA-N 1 2 284.791 1.706 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cn(CC)cn1 ZINC001367848074 958431345 /nfs/dbraw/zinc/43/13/45/958431345.db2.gz ICUKYOUXDRLCMO-LLVKDONJSA-N 1 2 284.791 1.706 20 30 CDEDLO Cc1cc(NC(=O)Cc2[nH]cc[nH+]2)nn1CCC#N ZINC001334375851 959067035 /nfs/dbraw/zinc/06/70/35/959067035.db2.gz ZMVWHPSGKNUQQG-UHFFFAOYSA-N 1 2 258.285 1.010 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cn2cc(C)cn2)C1 ZINC001369075655 959441616 /nfs/dbraw/zinc/44/16/16/959441616.db2.gz VBWXNYXTJZXMKB-LBPRGKRZSA-N 1 2 296.802 1.381 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2cc[nH]n2)C1 ZINC001369083522 959448392 /nfs/dbraw/zinc/44/83/92/959448392.db2.gz ZJLHMXVMPKNKMC-JTQLQIEISA-N 1 2 282.775 1.141 20 30 CDEDLO N#CC1(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCSCC1 ZINC001335773036 960020009 /nfs/dbraw/zinc/02/00/09/960020009.db2.gz BCXLYPHCAFNCPI-LLVKDONJSA-N 1 2 290.392 1.351 20 30 CDEDLO C[C@@H](C(=O)Nc1ccn(CCC#N)n1)n1cc[nH+]c1 ZINC001339211294 962246613 /nfs/dbraw/zinc/24/66/13/962246613.db2.gz CHUNXMZIBXURSR-JTQLQIEISA-N 1 2 258.285 1.193 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)OCC1CC1 ZINC001419954248 962284940 /nfs/dbraw/zinc/28/49/40/962284940.db2.gz JMXCYRZPAMHGQI-GFCCVEGCSA-N 1 2 288.819 1.944 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](C)OCC1CC1 ZINC001419954248 962284954 /nfs/dbraw/zinc/28/49/54/962284954.db2.gz JMXCYRZPAMHGQI-GFCCVEGCSA-N 1 2 288.819 1.944 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccco3)n2CC=C)CC1 ZINC001339488810 962379087 /nfs/dbraw/zinc/37/90/87/962379087.db2.gz UIGPKKWAHDBDQH-UHFFFAOYSA-N 1 2 297.362 1.479 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](C)NC(=O)CC ZINC001420387180 962836417 /nfs/dbraw/zinc/83/64/17/962836417.db2.gz LMXIDNNXDDTWQX-NSHDSACASA-N 1 2 289.807 1.092 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](C)NC(=O)CC ZINC001420387180 962836433 /nfs/dbraw/zinc/83/64/33/962836433.db2.gz LMXIDNNXDDTWQX-NSHDSACASA-N 1 2 289.807 1.092 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C1(COC)CC1 ZINC001420470527 962948198 /nfs/dbraw/zinc/94/81/98/962948198.db2.gz QSSBKAJKWDTYKT-LBPRGKRZSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C1(COC)CC1 ZINC001420470527 962948212 /nfs/dbraw/zinc/94/82/12/962948212.db2.gz QSSBKAJKWDTYKT-LBPRGKRZSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccn(C)c(=O)c1 ZINC001437607404 963062338 /nfs/dbraw/zinc/06/23/38/963062338.db2.gz HEQVWSOIBIABNT-UHFFFAOYSA-N 1 2 297.786 1.190 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccn(C)c(=O)c1 ZINC001437607404 963062353 /nfs/dbraw/zinc/06/23/53/963062353.db2.gz HEQVWSOIBIABNT-UHFFFAOYSA-N 1 2 297.786 1.190 20 30 CDEDLO C#C[C@@H](C)N(C)c1nnc(Cc2[nH+]ccn2C)n1CC(=C)C ZINC001342541921 963760774 /nfs/dbraw/zinc/76/07/74/963760774.db2.gz MVIFVNAQDVZFCZ-CYBMUJFWSA-N 1 2 298.394 1.636 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc(C)on1)C1CC1 ZINC001442987652 965309884 /nfs/dbraw/zinc/30/98/84/965309884.db2.gz RIIFQEJEYXVEOK-UHFFFAOYSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc(C)on1)C1CC1 ZINC001442987652 965309894 /nfs/dbraw/zinc/30/98/94/965309894.db2.gz RIIFQEJEYXVEOK-UHFFFAOYSA-N 1 2 283.759 1.930 20 30 CDEDLO N#Cc1cnc(C(=O)N2CC(n3cc[nH+]c3)C2)c(Cl)c1 ZINC001444204955 965757840 /nfs/dbraw/zinc/75/78/40/965757840.db2.gz KUAFTTGJJRJUKZ-UHFFFAOYSA-N 1 2 287.710 1.500 20 30 CDEDLO C[C@@H](CCC#N)C[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC001349632082 966415170 /nfs/dbraw/zinc/41/51/70/966415170.db2.gz FOJDDBNWAURCLE-WDEREUQCSA-N 1 2 263.345 1.686 20 30 CDEDLO C=CC[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C(=O)OCC ZINC001350958576 966811908 /nfs/dbraw/zinc/81/19/08/966811908.db2.gz ZZMVUGJBURXPQK-AAEUAGOBSA-N 1 2 291.351 1.070 20 30 CDEDLO CN(C)[C@@H](C(=O)Nc1cccc(CC#N)c1)c1c[nH+]cn1C ZINC001449725255 967535270 /nfs/dbraw/zinc/53/52/70/967535270.db2.gz HHSAQKWIMGBGIT-OAHLLOKOSA-N 1 2 297.362 1.728 20 30 CDEDLO C=CC(C)(C)C(=O)NCCN(CC)c1cc[nH+]c(C)n1 ZINC001100684383 968945109 /nfs/dbraw/zinc/94/51/09/968945109.db2.gz NDFZAIJLAZVVND-UHFFFAOYSA-N 1 2 276.384 1.940 20 30 CDEDLO C#C[C@H](C)N(C)c1nnc([C@H]2CCC[N@@H+]2C)n1CCOC ZINC001355709287 969251170 /nfs/dbraw/zinc/25/11/70/969251170.db2.gz QXPPPUSYSPJKSL-QWHCGFSZSA-N 1 2 291.399 1.149 20 30 CDEDLO C#C[C@H](C)N(C)c1nnc([C@H]2CCC[N@H+]2C)n1CCOC ZINC001355709287 969251182 /nfs/dbraw/zinc/25/11/82/969251182.db2.gz QXPPPUSYSPJKSL-QWHCGFSZSA-N 1 2 291.399 1.149 20 30 CDEDLO N#Cc1ccc2c(c1)N(C(=O)Cc1c[nH]c[nH+]1)CC2 ZINC001466640300 969982629 /nfs/dbraw/zinc/98/26/29/969982629.db2.gz CHDKQQICCFWQMW-UHFFFAOYSA-N 1 2 252.277 1.413 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC001415821188 972769567 /nfs/dbraw/zinc/76/95/67/972769567.db2.gz XVBRTETVXCIJRC-CYBMUJFWSA-N 1 2 299.374 1.521 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)[C@H](CC#N)c1ccccc1 ZINC001417711306 973315598 /nfs/dbraw/zinc/31/55/98/973315598.db2.gz DOYRXYPBQOXVHM-OAHLLOKOSA-N 1 2 282.347 1.776 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCc1cnn(C)c1 ZINC001401451470 975669091 /nfs/dbraw/zinc/66/90/91/975669091.db2.gz LUQVBZORMJXCOS-UHFFFAOYSA-N 1 2 298.818 1.495 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCc1cnn(C)c1 ZINC001401451470 975669095 /nfs/dbraw/zinc/66/90/95/975669095.db2.gz LUQVBZORMJXCOS-UHFFFAOYSA-N 1 2 298.818 1.495 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cnc(C)[nH]1 ZINC001392647433 977525991 /nfs/dbraw/zinc/52/59/91/977525991.db2.gz ZROXARCVXNQNLR-VIFPVBQESA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cnc(C)[nH]1 ZINC001392647433 977525996 /nfs/dbraw/zinc/52/59/96/977525996.db2.gz ZROXARCVXNQNLR-VIFPVBQESA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001132653989 1163416529 /nfs/dbraw/zinc/41/65/29/1163416529.db2.gz WKJYGJGCHGVSLG-NSHDSACASA-N 1 2 292.383 1.755 20 30 CDEDLO N#CCc1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000092131029 1174359176 /nfs/dbraw/zinc/35/91/76/1174359176.db2.gz QKAUPHFOEKDRAN-UHFFFAOYSA-N 1 2 273.317 1.948 20 30 CDEDLO C=CCCC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2c[nH]nn2)C1 ZINC001575084819 1171108634 /nfs/dbraw/zinc/10/86/34/1171108634.db2.gz AAMZKLUQVHPOTG-CHWSQXEVSA-N 1 2 291.399 1.488 20 30 CDEDLO C=CCCC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cn[nH]n2)C1 ZINC001575084819 1171108642 /nfs/dbraw/zinc/10/86/42/1171108642.db2.gz AAMZKLUQVHPOTG-CHWSQXEVSA-N 1 2 291.399 1.488 20 30 CDEDLO C=CCCOCC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000620900433 342457082 /nfs/dbraw/zinc/45/70/82/342457082.db2.gz NLJRXJDUTFBLMJ-UHFFFAOYSA-N 1 2 274.364 1.711 20 30 CDEDLO Cc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(C)c1 ZINC000589826983 342514893 /nfs/dbraw/zinc/51/48/93/342514893.db2.gz TUTHWGZIDXFEQW-OAHLLOKOSA-N 1 2 259.353 1.877 20 30 CDEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000590002386 342518268 /nfs/dbraw/zinc/51/82/68/342518268.db2.gz MRWUPRUYJSFHIE-MRXNPFEDSA-N 1 2 299.374 1.894 20 30 CDEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000590002386 342518269 /nfs/dbraw/zinc/51/82/69/342518269.db2.gz MRWUPRUYJSFHIE-MRXNPFEDSA-N 1 2 299.374 1.894 20 30 CDEDLO CN(Cc1cccc(C#N)c1)C(=O)NCCn1cc[nH+]c1 ZINC000043311228 342003149 /nfs/dbraw/zinc/00/31/49/342003149.db2.gz JOKRQBSDQOCOLW-UHFFFAOYSA-N 1 2 283.335 1.596 20 30 CDEDLO N#Cc1cnn2cc(C[N@@H+]3CCc4ncsc4C3)cnc12 ZINC000564986310 365546901 /nfs/dbraw/zinc/54/69/01/365546901.db2.gz NDWJTSBIYLMKGI-UHFFFAOYSA-N 1 2 296.359 1.616 20 30 CDEDLO N#Cc1cnn2cc(C[N@H+]3CCc4ncsc4C3)cnc12 ZINC000564986310 365546910 /nfs/dbraw/zinc/54/69/10/365546910.db2.gz NDWJTSBIYLMKGI-UHFFFAOYSA-N 1 2 296.359 1.616 20 30 CDEDLO Cc1csc(NC(=O)NCc2c[nH+]cn2C)c1C#N ZINC000565161076 365597799 /nfs/dbraw/zinc/59/77/99/365597799.db2.gz GZGJAPCNZQBROW-UHFFFAOYSA-N 1 2 275.337 1.983 20 30 CDEDLO CC1(C)C[C@@]1(C#N)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000333018741 342076529 /nfs/dbraw/zinc/07/65/29/342076529.db2.gz VNACWNMXRYERLC-HZMBPMFUSA-N 1 2 258.325 1.254 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC000592152254 342669230 /nfs/dbraw/zinc/66/92/30/342669230.db2.gz VYJBNSLTVUVWAB-CYBMUJFWSA-N 1 2 263.366 1.871 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000592152254 342669231 /nfs/dbraw/zinc/66/92/31/342669231.db2.gz VYJBNSLTVUVWAB-CYBMUJFWSA-N 1 2 263.366 1.871 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000592522744 342702275 /nfs/dbraw/zinc/70/22/75/342702275.db2.gz QVSRHTWOBCEHQO-OCCSQVGLSA-N 1 2 293.392 1.845 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000592522744 342702276 /nfs/dbraw/zinc/70/22/76/342702276.db2.gz QVSRHTWOBCEHQO-OCCSQVGLSA-N 1 2 293.392 1.845 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000592523174 342702772 /nfs/dbraw/zinc/70/27/72/342702772.db2.gz WSYTWTMAYWKGIG-AWEZNQCLSA-N 1 2 277.393 1.872 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000592523174 342702774 /nfs/dbraw/zinc/70/27/74/342702774.db2.gz WSYTWTMAYWKGIG-AWEZNQCLSA-N 1 2 277.393 1.872 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC000339750535 361870254 /nfs/dbraw/zinc/87/02/54/361870254.db2.gz NNLSFRGXSGIWFX-LSDHHAIUSA-N 1 2 280.412 1.653 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC000339750535 361870258 /nfs/dbraw/zinc/87/02/58/361870258.db2.gz NNLSFRGXSGIWFX-LSDHHAIUSA-N 1 2 280.412 1.653 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc3n(n2)CCCC3)C1 ZINC000593036330 342756157 /nfs/dbraw/zinc/75/61/57/342756157.db2.gz ZALCXSQYLIBTAH-AWEZNQCLSA-N 1 2 260.341 1.070 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc3n(n2)CCCC3)C1 ZINC000593036330 342756158 /nfs/dbraw/zinc/75/61/58/342756158.db2.gz ZALCXSQYLIBTAH-AWEZNQCLSA-N 1 2 260.341 1.070 20 30 CDEDLO C[C@@H](CCO)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000593107423 342768763 /nfs/dbraw/zinc/76/87/63/342768763.db2.gz JNTXOBPVDYGNEQ-LBPRGKRZSA-N 1 2 296.392 1.035 20 30 CDEDLO C[C@@H](CCO)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000593107423 342768764 /nfs/dbraw/zinc/76/87/64/342768764.db2.gz JNTXOBPVDYGNEQ-LBPRGKRZSA-N 1 2 296.392 1.035 20 30 CDEDLO C[C@@H]1CCC[C@@H]1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593154849 342774284 /nfs/dbraw/zinc/77/42/84/342774284.db2.gz LPEGNPMEVIZLSP-BZPMIXESSA-N 1 2 251.374 1.773 20 30 CDEDLO COc1ccccc1[C@H](CO)[NH2+]Cc1ccc(C#N)cn1 ZINC000593972961 342863211 /nfs/dbraw/zinc/86/32/11/342863211.db2.gz XMDSVHCZGJAWSG-HNNXBMFYSA-N 1 2 283.331 1.785 20 30 CDEDLO N#C[C@H]1CC[C@H](n2cc(C[NH+]3CCSCC3)nn2)C1 ZINC000600814169 342250395 /nfs/dbraw/zinc/25/03/95/342250395.db2.gz VXCOJGZGDNAZIW-AAEUAGOBSA-N 1 2 277.397 1.692 20 30 CDEDLO N#C[C@@H]1CC[C@H](n2cc(CC[NH+]3CCOCC3)nn2)C1 ZINC000600812444 342250434 /nfs/dbraw/zinc/25/04/34/342250434.db2.gz FBPSWMAHIBSBLI-OCCSQVGLSA-N 1 2 275.356 1.018 20 30 CDEDLO Cc1cc(C[NH2+]Cc2nnn(C(C)(C)C)n2)ccc1C#N ZINC000594514479 342912859 /nfs/dbraw/zinc/91/28/59/342912859.db2.gz JATMCOHZOYPHGK-UHFFFAOYSA-N 1 2 284.367 1.898 20 30 CDEDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000157142136 362003827 /nfs/dbraw/zinc/00/38/27/362003827.db2.gz UUWFCOZHKUNJHK-DOMZBBRYSA-N 1 2 279.767 1.773 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000594653891 342934598 /nfs/dbraw/zinc/93/45/98/342934598.db2.gz YJYIGELIMDGTBC-UHFFFAOYSA-N 1 2 285.307 1.348 20 30 CDEDLO C[C@@H]1CO[C@H](CO)C[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000157142136 362003832 /nfs/dbraw/zinc/00/38/32/362003832.db2.gz UUWFCOZHKUNJHK-DOMZBBRYSA-N 1 2 279.767 1.773 20 30 CDEDLO CCOC[C@@H](C(=O)OC)[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595396909 343047837 /nfs/dbraw/zinc/04/78/37/343047837.db2.gz ZPEHMRUCAPLNAR-HNNXBMFYSA-N 1 2 290.363 1.611 20 30 CDEDLO CCOC[C@@H](C(=O)OC)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595396909 343047839 /nfs/dbraw/zinc/04/78/39/343047839.db2.gz ZPEHMRUCAPLNAR-HNNXBMFYSA-N 1 2 290.363 1.611 20 30 CDEDLO C[N@H+](CC(=O)NCC#N)Cc1ccccc1Cl ZINC000076667933 342322981 /nfs/dbraw/zinc/32/29/81/342322981.db2.gz UXEDIVXNSUGVAI-UHFFFAOYSA-N 1 2 251.717 1.412 20 30 CDEDLO C[N@@H+](CC(=O)NCC#N)Cc1ccccc1Cl ZINC000076667933 342322982 /nfs/dbraw/zinc/32/29/82/342322982.db2.gz UXEDIVXNSUGVAI-UHFFFAOYSA-N 1 2 251.717 1.412 20 30 CDEDLO COc1ccccc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329799220 362055871 /nfs/dbraw/zinc/05/58/71/362055871.db2.gz XSSPUHGNLNHVPA-GXTWGEPZSA-N 1 2 291.351 1.256 20 30 CDEDLO COc1ccccc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329799220 362055878 /nfs/dbraw/zinc/05/58/78/362055878.db2.gz XSSPUHGNLNHVPA-GXTWGEPZSA-N 1 2 291.351 1.256 20 30 CDEDLO N#CC[C@@H]1CCCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000595590099 343095016 /nfs/dbraw/zinc/09/50/16/343095016.db2.gz RUTLIOKKUSRLKR-STQMWFEESA-N 1 2 287.367 1.533 20 30 CDEDLO C=CCOCC[N@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000645089898 362102491 /nfs/dbraw/zinc/10/24/91/362102491.db2.gz YBTFGGRWNXAUED-UWVGGRQHSA-N 1 2 253.264 1.841 20 30 CDEDLO C=CCOCC[N@@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000645089898 362102496 /nfs/dbraw/zinc/10/24/96/362102496.db2.gz YBTFGGRWNXAUED-UWVGGRQHSA-N 1 2 253.264 1.841 20 30 CDEDLO CC[N@H+](CCC#N)Cc1cc(=O)n2ccccc2n1 ZINC000081040201 342363542 /nfs/dbraw/zinc/36/35/42/342363542.db2.gz DTQQPKHECXHXML-UHFFFAOYSA-N 1 2 256.309 1.430 20 30 CDEDLO CC[N@@H+](CCC#N)Cc1cc(=O)n2ccccc2n1 ZINC000081040201 342363543 /nfs/dbraw/zinc/36/35/43/342363543.db2.gz DTQQPKHECXHXML-UHFFFAOYSA-N 1 2 256.309 1.430 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNc2nc3ncccc3cc2C#N)C1 ZINC000596099385 343236017 /nfs/dbraw/zinc/23/60/17/343236017.db2.gz UWLZTZINZBQETN-CYBMUJFWSA-N 1 2 283.335 1.244 20 30 CDEDLO C[N@H+]1CCO[C@H](CNc2nc3ncccc3cc2C#N)C1 ZINC000596099385 343236019 /nfs/dbraw/zinc/23/60/19/343236019.db2.gz UWLZTZINZBQETN-CYBMUJFWSA-N 1 2 283.335 1.244 20 30 CDEDLO COC(=O)[C@@](C)([NH2+]CCOc1cccc(C#N)c1)C1CC1 ZINC000081153450 342364829 /nfs/dbraw/zinc/36/48/29/342364829.db2.gz CPOKZAZAANUGPO-INIZCTEOSA-N 1 2 288.347 1.868 20 30 CDEDLO C[N@@H+]1CCO[C@H](C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000081366641 342367649 /nfs/dbraw/zinc/36/76/49/342367649.db2.gz GKERRCXVJZSOKQ-AWEZNQCLSA-N 1 2 291.326 1.403 20 30 CDEDLO C[N@H+]1CCO[C@H](C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000081366641 342367650 /nfs/dbraw/zinc/36/76/50/342367650.db2.gz GKERRCXVJZSOKQ-AWEZNQCLSA-N 1 2 291.326 1.403 20 30 CDEDLO N#Cc1c2c(cnc1N1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000596236662 343282728 /nfs/dbraw/zinc/28/27/28/343282728.db2.gz JWYRLKJFVJHENV-UHFFFAOYSA-N 1 2 265.320 1.728 20 30 CDEDLO C=CCCSCCNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000596413298 343315422 /nfs/dbraw/zinc/31/54/22/343315422.db2.gz JWPOATPWTFTZPK-NSHDSACASA-N 1 2 282.413 1.412 20 30 CDEDLO C=CCCSCCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000596413298 343315423 /nfs/dbraw/zinc/31/54/23/343315423.db2.gz JWPOATPWTFTZPK-NSHDSACASA-N 1 2 282.413 1.412 20 30 CDEDLO N#CCN(CC#N)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000597029493 343431119 /nfs/dbraw/zinc/43/11/19/343431119.db2.gz FFWRURQBOPMOOA-AWEZNQCLSA-N 1 2 293.330 1.807 20 30 CDEDLO Cc1n[nH]cc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000597182994 343477802 /nfs/dbraw/zinc/47/78/02/343477802.db2.gz HSIUGVUIRRWHIP-UHFFFAOYSA-N 1 2 287.392 1.974 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3nc(C)ccc3C#N)CC2)on1 ZINC000127608263 136386362 /nfs/dbraw/zinc/38/63/62/136386362.db2.gz OUYYLSQURGCMGV-UHFFFAOYSA-N 1 2 297.362 1.880 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)NCCc1ccc(C#N)cc1 ZINC000597889533 343658899 /nfs/dbraw/zinc/65/88/99/343658899.db2.gz JUDSXGOAEKQIGM-UHFFFAOYSA-N 1 2 268.320 1.193 20 30 CDEDLO CC1=CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC000535883066 282293964 /nfs/dbraw/zinc/29/39/64/282293964.db2.gz OGJWKZXLAAQXHL-OAHLLOKOSA-N 1 2 295.342 1.842 20 30 CDEDLO CC1=CC[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC000535883066 282293968 /nfs/dbraw/zinc/29/39/68/282293968.db2.gz OGJWKZXLAAQXHL-OAHLLOKOSA-N 1 2 295.342 1.842 20 30 CDEDLO Cc1c[nH]c(CN2CCN(c3nccnc3C#N)C[C@@H]2C)[nH+]1 ZINC000600130712 349837299 /nfs/dbraw/zinc/83/72/99/349837299.db2.gz HIFMNYKFFLLKMS-LBPRGKRZSA-N 1 2 297.366 1.091 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnc2n1CCCCC2 ZINC000598836181 343914548 /nfs/dbraw/zinc/91/45/48/343914548.db2.gz BZSSBKZPWGXHEW-OAHLLOKOSA-N 1 2 289.383 1.183 20 30 CDEDLO C=C(CC)C[N@@H+]1C[C@@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000599590517 344087817 /nfs/dbraw/zinc/08/78/17/344087817.db2.gz NVGNUBDPAZQEGO-RYUDHWBXSA-N 1 2 269.341 1.379 20 30 CDEDLO C=C(CC)C[N@H+]1C[C@@H](C(=O)OC)CC[C@H]1C(=O)OC ZINC000599590517 344087819 /nfs/dbraw/zinc/08/78/19/344087819.db2.gz NVGNUBDPAZQEGO-RYUDHWBXSA-N 1 2 269.341 1.379 20 30 CDEDLO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccon3)C2=O)cc1 ZINC000602017119 344315312 /nfs/dbraw/zinc/31/53/12/344315312.db2.gz MZTVSXBTTQGDPM-HNNXBMFYSA-N 1 2 296.330 1.437 20 30 CDEDLO CC(C)N(CCC#N)Cc1cc2c(c[nH+]1)OCCO2 ZINC000602446935 344433101 /nfs/dbraw/zinc/43/31/01/344433101.db2.gz HAEVBHCXLHVKSL-UHFFFAOYSA-N 1 2 261.325 1.977 20 30 CDEDLO C[C@@H](CCC#N)CNc1ccc(N2CCOCC2)c[nH+]1 ZINC000602523116 344453353 /nfs/dbraw/zinc/45/33/53/344453353.db2.gz YBMMJBJWSCSJED-ZDUSSCGKSA-N 1 2 274.368 1.692 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1CC1(CC#N)CC1 ZINC000602822245 344610413 /nfs/dbraw/zinc/61/04/13/344610413.db2.gz ZPXLSEYZINJNNR-NWDGAFQWSA-N 1 2 250.342 1.954 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1CC1(CC#N)CC1 ZINC000602822245 344610414 /nfs/dbraw/zinc/61/04/14/344610414.db2.gz ZPXLSEYZINJNNR-NWDGAFQWSA-N 1 2 250.342 1.954 20 30 CDEDLO CCNC(=O)C[N@H+](CC)Cc1ccc(C#N)cc1OC ZINC000120533993 362452138 /nfs/dbraw/zinc/45/21/38/362452138.db2.gz BFXGXEFUXOZNHW-UHFFFAOYSA-N 1 2 275.352 1.525 20 30 CDEDLO CCNC(=O)C[N@@H+](CC)Cc1ccc(C#N)cc1OC ZINC000120533993 362452139 /nfs/dbraw/zinc/45/21/39/362452139.db2.gz BFXGXEFUXOZNHW-UHFFFAOYSA-N 1 2 275.352 1.525 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000602862897 344617886 /nfs/dbraw/zinc/61/78/86/344617886.db2.gz MMEQTWJRUNHEMK-MNOVXSKESA-N 1 2 277.393 1.913 20 30 CDEDLO CCCC[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1cc(C)on1 ZINC000602868245 344640283 /nfs/dbraw/zinc/64/02/83/344640283.db2.gz ILMJCBMJIFJANA-CMPLNLGQSA-N 1 2 278.356 1.794 20 30 CDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCn1cc[nH+]c1 ZINC000043946904 344883666 /nfs/dbraw/zinc/88/36/66/344883666.db2.gz QFXDMNCTQVTISZ-GFCCVEGCSA-N 1 2 284.319 1.338 20 30 CDEDLO CCN(CC)C(=O)[C@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609484939 344915138 /nfs/dbraw/zinc/91/51/38/344915138.db2.gz RCOGRAOERRWAAC-LSDHHAIUSA-N 1 2 294.443 1.409 20 30 CDEDLO Cc1ncc(CO)c(/C=[NH+]/CCCOC(C)C)c1O ZINC000005110728 344941827 /nfs/dbraw/zinc/94/18/27/344941827.db2.gz GGXJLHQSOGDTLL-OVCLIPMQSA-N 1 2 266.341 1.822 20 30 CDEDLO C#CCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000073382298 345446321 /nfs/dbraw/zinc/44/63/21/345446321.db2.gz IXEBLXZEMQOZQV-ZDUSSCGKSA-N 1 2 268.320 1.442 20 30 CDEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)C(=O)N(C)C(C)C)CC1 ZINC000610481193 346290758 /nfs/dbraw/zinc/29/07/58/346290758.db2.gz OQRVEBROPNYLBQ-HUUCEWRRSA-N 1 2 294.443 1.407 20 30 CDEDLO N#CCCN1CC[NH+](CC(=O)NC2CCCCCC2)CC1 ZINC000611175474 346632437 /nfs/dbraw/zinc/63/24/37/346632437.db2.gz ZAYHSNUXJNGQFY-UHFFFAOYSA-N 1 2 292.427 1.357 20 30 CDEDLO CS(=O)(=O)C1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000611273921 346732780 /nfs/dbraw/zinc/73/27/80/346732780.db2.gz BABZJTCDPDVJRQ-UHFFFAOYSA-N 1 2 284.406 1.629 20 30 CDEDLO C[C@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000449838440 362774748 /nfs/dbraw/zinc/77/47/48/362774748.db2.gz FTBRWCLKMMSXBD-GUYCJALGSA-N 1 2 299.374 1.586 20 30 CDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)C[C@H]1C ZINC000300708041 347280511 /nfs/dbraw/zinc/28/05/11/347280511.db2.gz PQXKZEOSIVWHAY-SNVBAGLBSA-N 1 2 299.421 1.334 20 30 CDEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)C[C@H]1C ZINC000300708041 347280515 /nfs/dbraw/zinc/28/05/15/347280515.db2.gz PQXKZEOSIVWHAY-SNVBAGLBSA-N 1 2 299.421 1.334 20 30 CDEDLO C=C[C@@H](O)C(=O)Nc1c[nH+]ccc1OC(C)(C)C ZINC000612867088 347304890 /nfs/dbraw/zinc/30/48/90/347304890.db2.gz ZSOZBGGIOHKZHT-SNVBAGLBSA-N 1 2 250.298 1.744 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000053441846 347739721 /nfs/dbraw/zinc/73/97/21/347739721.db2.gz ZUDFIYODSWWKDH-UHFFFAOYSA-N 1 2 280.324 1.109 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000053441846 347739724 /nfs/dbraw/zinc/73/97/24/347739724.db2.gz ZUDFIYODSWWKDH-UHFFFAOYSA-N 1 2 280.324 1.109 20 30 CDEDLO C=C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C(=O)OC ZINC000619703207 347956647 /nfs/dbraw/zinc/95/66/47/347956647.db2.gz IBRPIEBWVWIBEA-RVMXOQNASA-N 1 2 265.353 1.651 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000619722533 348215470 /nfs/dbraw/zinc/21/54/70/348215470.db2.gz LZFNLILJIKQIRK-CYBMUJFWSA-N 1 2 279.384 1.885 20 30 CDEDLO C=CC(C)(C)CNc1[nH+]cnc(-n2cccn2)c1N ZINC000450729780 362875573 /nfs/dbraw/zinc/87/55/73/362875573.db2.gz QRKCMAHHBUIXFG-UHFFFAOYSA-N 1 2 258.329 1.869 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cnc2ccccc2c1 ZINC000414127540 362921418 /nfs/dbraw/zinc/92/14/18/362921418.db2.gz QGHRWFPJUWOKSF-CQSZACIVSA-N 1 2 285.347 1.820 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cnc2ccccc2c1 ZINC000414127540 362921423 /nfs/dbraw/zinc/92/14/23/362921423.db2.gz QGHRWFPJUWOKSF-CQSZACIVSA-N 1 2 285.347 1.820 20 30 CDEDLO Cc1cc(OC[C@H](O)C[N@H+](C)CCC#N)ccc1C#N ZINC000414125511 362921542 /nfs/dbraw/zinc/92/15/42/362921542.db2.gz MVJWDOUJPABFCP-CQSZACIVSA-N 1 2 273.336 1.452 20 30 CDEDLO Cc1cc(OC[C@H](O)C[N@@H+](C)CCC#N)ccc1C#N ZINC000414125511 362921547 /nfs/dbraw/zinc/92/15/47/362921547.db2.gz MVJWDOUJPABFCP-CQSZACIVSA-N 1 2 273.336 1.452 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000029535823 348671417 /nfs/dbraw/zinc/67/14/17/348671417.db2.gz ZYQJRRKNUFCCKK-UKRRQHHQSA-N 1 2 274.364 1.751 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000029535823 348671420 /nfs/dbraw/zinc/67/14/20/348671420.db2.gz ZYQJRRKNUFCCKK-UKRRQHHQSA-N 1 2 274.364 1.751 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000064796013 348947147 /nfs/dbraw/zinc/94/71/47/348947147.db2.gz NQAJIUUWNZAGJO-YPMHNXCESA-N 1 2 293.323 1.426 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000064796013 348947148 /nfs/dbraw/zinc/94/71/48/348947148.db2.gz NQAJIUUWNZAGJO-YPMHNXCESA-N 1 2 293.323 1.426 20 30 CDEDLO C#CCN(C(=O)Cn1c(C)[nH+]c2ccccc21)C1CC1 ZINC000274033425 192412403 /nfs/dbraw/zinc/41/24/03/192412403.db2.gz KNNDXTGARUKVBZ-UHFFFAOYSA-N 1 2 267.332 1.969 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@H](OC)C1 ZINC000602896449 350161952 /nfs/dbraw/zinc/16/19/52/350161952.db2.gz HKRPFMHRUOEOFV-HNNXBMFYSA-N 1 2 292.335 1.250 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@H](OC)C1 ZINC000602896449 350161954 /nfs/dbraw/zinc/16/19/54/350161954.db2.gz HKRPFMHRUOEOFV-HNNXBMFYSA-N 1 2 292.335 1.250 20 30 CDEDLO Cc1n[nH]cc1C[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000602938319 350167368 /nfs/dbraw/zinc/16/73/68/350167368.db2.gz OSSRWINQYADUOZ-UHFFFAOYSA-N 1 2 297.362 1.338 20 30 CDEDLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000602938319 350167370 /nfs/dbraw/zinc/16/73/70/350167370.db2.gz OSSRWINQYADUOZ-UHFFFAOYSA-N 1 2 297.362 1.338 20 30 CDEDLO COCC[N@H+](C)Cc1cn([C@H](C)c2ccc(C#N)cc2)nn1 ZINC000603229499 350228199 /nfs/dbraw/zinc/22/81/99/350228199.db2.gz ZGGMZOXWTOKQNB-CYBMUJFWSA-N 1 2 299.378 1.837 20 30 CDEDLO COCC[N@@H+](C)Cc1cn([C@H](C)c2ccc(C#N)cc2)nn1 ZINC000603229499 350228202 /nfs/dbraw/zinc/22/82/02/350228202.db2.gz ZGGMZOXWTOKQNB-CYBMUJFWSA-N 1 2 299.378 1.837 20 30 CDEDLO C=CCOCCCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620601587 350276261 /nfs/dbraw/zinc/27/62/61/350276261.db2.gz XTMMVNFVRMUCFW-LLVKDONJSA-N 1 2 251.330 1.580 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2nccnc2C)C1=O ZINC000621725750 350750945 /nfs/dbraw/zinc/75/09/45/350750945.db2.gz ZQJWFQWQWRNFMA-CYBMUJFWSA-N 1 2 260.341 1.004 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2nccnc2C)C1=O ZINC000621725750 350750947 /nfs/dbraw/zinc/75/09/47/350750947.db2.gz ZQJWFQWQWRNFMA-CYBMUJFWSA-N 1 2 260.341 1.004 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)Nc2sccc2C#N)CC[C@@H]1O ZINC000167239889 363067167 /nfs/dbraw/zinc/06/71/67/363067167.db2.gz MVSTWDPRTRBOFF-ONGXEEELSA-N 1 2 279.365 1.261 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)CC[C@@H]1O ZINC000167239889 363067171 /nfs/dbraw/zinc/06/71/71/363067171.db2.gz MVSTWDPRTRBOFF-ONGXEEELSA-N 1 2 279.365 1.261 20 30 CDEDLO COc1c(C)c[nH+]c(Cn2cccc(C#N)c2=O)c1C ZINC000123453541 187092869 /nfs/dbraw/zinc/09/28/69/187092869.db2.gz GJCXRMWSLXESAS-UHFFFAOYSA-N 1 2 269.304 1.789 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152914847 188052193 /nfs/dbraw/zinc/05/21/93/188052193.db2.gz IIIUOWILIIVHMH-KBPBESRZSA-N 1 2 289.379 1.758 20 30 CDEDLO CCn1cc[nH+]c1/C=C/C(=O)N=c1ccn(CCC#N)[nH]1 ZINC000492493898 366168355 /nfs/dbraw/zinc/16/83/55/366168355.db2.gz PCHXAQCYAFQDPP-SNAWJCMRSA-N 1 2 284.323 1.087 20 30 CDEDLO C=C(C)CN(CC)C(=O)CN(C)Cc1[nH+]ccn1C ZINC000272649238 191843439 /nfs/dbraw/zinc/84/34/39/191843439.db2.gz YYVLLRDRHURMRT-UHFFFAOYSA-N 1 2 264.373 1.277 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1cnn(C)c1 ZINC000032539847 356101489 /nfs/dbraw/zinc/10/14/89/356101489.db2.gz GQMNLMMYGIXZRD-GFCCVEGCSA-N 1 2 297.362 1.751 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1cnn(C)c1 ZINC000032539847 356101494 /nfs/dbraw/zinc/10/14/94/356101494.db2.gz GQMNLMMYGIXZRD-GFCCVEGCSA-N 1 2 297.362 1.751 20 30 CDEDLO CCN(C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000286335303 356259290 /nfs/dbraw/zinc/25/92/90/356259290.db2.gz ARYBFKWURFYQKQ-UHFFFAOYSA-N 1 2 286.379 1.748 20 30 CDEDLO CN1CC[N@H+](CCNc2cc(C#N)ccn2)CC1(C)C ZINC000286449785 356422793 /nfs/dbraw/zinc/42/27/93/356422793.db2.gz MXOQUYBJOLMFNB-UHFFFAOYSA-N 1 2 273.384 1.391 20 30 CDEDLO CN1CC[N@@H+](CCNc2cc(C#N)ccn2)CC1(C)C ZINC000286449785 356422795 /nfs/dbraw/zinc/42/27/95/356422795.db2.gz MXOQUYBJOLMFNB-UHFFFAOYSA-N 1 2 273.384 1.391 20 30 CDEDLO Cc1noc([C@@H](C)O[NH+]=C(N)Cc2ccccc2)n1 ZINC000069898315 356654632 /nfs/dbraw/zinc/65/46/32/356654632.db2.gz JZQWONJFCPYROR-SECBINFHSA-N 1 2 260.297 1.971 20 30 CDEDLO CC(C)(C(N)=O)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000431816897 357116112 /nfs/dbraw/zinc/11/61/12/357116112.db2.gz ADBHQBNOFZRLKS-UHFFFAOYSA-N 1 2 290.342 1.083 20 30 CDEDLO C[C@@H](Nc1cccnc1C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000290641515 357241115 /nfs/dbraw/zinc/24/11/15/357241115.db2.gz NQFOTRFGHFMHMV-VXGBXAGGSA-N 1 2 260.341 1.474 20 30 CDEDLO N#Cc1cc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c[nH]1 ZINC000181272510 357330892 /nfs/dbraw/zinc/33/08/92/357330892.db2.gz GFLXBZCOJBIMHK-GFCCVEGCSA-N 1 2 269.308 1.977 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C[C@@H](C#N)CCC#N)C1 ZINC000568408825 357337396 /nfs/dbraw/zinc/33/73/96/357337396.db2.gz ABUYYSKWQYPXGV-CHWSQXEVSA-N 1 2 257.341 1.653 20 30 CDEDLO COC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccco1 ZINC000184553385 357487590 /nfs/dbraw/zinc/48/75/90/357487590.db2.gz LXBIBPDYTMEYHQ-SWLSCSKDSA-N 1 2 291.351 1.365 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCCCNC1=O ZINC000364115530 357837469 /nfs/dbraw/zinc/83/74/69/357837469.db2.gz QEWKCLORWZTIFJ-CQSZACIVSA-N 1 2 275.327 1.798 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCCCNC1=O ZINC000364115530 357837470 /nfs/dbraw/zinc/83/74/70/357837470.db2.gz QEWKCLORWZTIFJ-CQSZACIVSA-N 1 2 275.327 1.798 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000337465636 358048318 /nfs/dbraw/zinc/04/83/18/358048318.db2.gz RVXJCHOJGQYAQL-ZDUSSCGKSA-N 1 2 294.376 1.186 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000337465636 358048321 /nfs/dbraw/zinc/04/83/21/358048321.db2.gz RVXJCHOJGQYAQL-ZDUSSCGKSA-N 1 2 294.376 1.186 20 30 CDEDLO C[C@H](CC(=O)NCC(=O)c1ccc(C#N)cc1)n1cc[nH+]c1 ZINC000566742553 358372940 /nfs/dbraw/zinc/37/29/40/358372940.db2.gz BQPCFUCCMICZOK-GFCCVEGCSA-N 1 2 296.330 1.705 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000592148755 358587599 /nfs/dbraw/zinc/58/75/99/358587599.db2.gz BHSDLAFERLEXRL-WBVHZDCISA-N 1 2 299.374 1.357 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000592148755 358587600 /nfs/dbraw/zinc/58/76/00/358587600.db2.gz BHSDLAFERLEXRL-WBVHZDCISA-N 1 2 299.374 1.357 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000337990527 358657502 /nfs/dbraw/zinc/65/75/02/358657502.db2.gz GVMKCVKGRHEDNP-HUUCEWRRSA-N 1 2 285.347 1.022 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000337990527 358657504 /nfs/dbraw/zinc/65/75/04/358657504.db2.gz GVMKCVKGRHEDNP-HUUCEWRRSA-N 1 2 285.347 1.022 20 30 CDEDLO N#Cc1ccc(SCC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000290928306 358775983 /nfs/dbraw/zinc/77/59/83/358775983.db2.gz LVSLGPAYMQTUAY-UHFFFAOYSA-N 1 2 298.371 1.889 20 30 CDEDLO COCC[C@H]1COCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000291288983 358913748 /nfs/dbraw/zinc/91/37/48/358913748.db2.gz PKIBWHBUFXZUMU-HNNXBMFYSA-N 1 2 260.337 1.796 20 30 CDEDLO COCC[C@H]1COCC[N@H+]1Cc1cccc(C#N)c1 ZINC000291288983 358913750 /nfs/dbraw/zinc/91/37/50/358913750.db2.gz PKIBWHBUFXZUMU-HNNXBMFYSA-N 1 2 260.337 1.796 20 30 CDEDLO Cc1nsc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C#N ZINC000287677850 359103795 /nfs/dbraw/zinc/10/37/95/359103795.db2.gz JHRKNDFEAJEOTK-PHIMTYICSA-N 1 2 294.424 1.869 20 30 CDEDLO Cc1nsc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C#N ZINC000287677850 359103799 /nfs/dbraw/zinc/10/37/99/359103799.db2.gz JHRKNDFEAJEOTK-PHIMTYICSA-N 1 2 294.424 1.869 20 30 CDEDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000375948259 359190173 /nfs/dbraw/zinc/19/01/73/359190173.db2.gz QSWOPPLXLUYRFY-ZUOKHONESA-N 1 2 292.404 1.780 20 30 CDEDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000375948259 359190178 /nfs/dbraw/zinc/19/01/78/359190178.db2.gz QSWOPPLXLUYRFY-ZUOKHONESA-N 1 2 292.404 1.780 20 30 CDEDLO CC#CC[N@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000265975845 359336975 /nfs/dbraw/zinc/33/69/75/359336975.db2.gz BRDORQITVARHMC-UHFFFAOYSA-N 1 2 283.375 1.749 20 30 CDEDLO CC#CC[N@@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000265975845 359336982 /nfs/dbraw/zinc/33/69/82/359336982.db2.gz BRDORQITVARHMC-UHFFFAOYSA-N 1 2 283.375 1.749 20 30 CDEDLO C=CCS(=O)(=O)CCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000272876258 359472421 /nfs/dbraw/zinc/47/24/21/359472421.db2.gz SXBKZHQGYQBEPB-UHFFFAOYSA-N 1 2 283.353 1.112 20 30 CDEDLO C#CC[N@@H+](CC(=O)NC(=O)Nc1ccccc1)C1CC1 ZINC000274006402 359485703 /nfs/dbraw/zinc/48/57/03/359485703.db2.gz AABAMPKESHMDCD-UHFFFAOYSA-N 1 2 271.320 1.432 20 30 CDEDLO C#CC[N@H+](CC(=O)NC(=O)Nc1ccccc1)C1CC1 ZINC000274006402 359485709 /nfs/dbraw/zinc/48/57/09/359485709.db2.gz AABAMPKESHMDCD-UHFFFAOYSA-N 1 2 271.320 1.432 20 30 CDEDLO C=CCNC(=O)C[N@@H+](CCC)[C@H](CC)C(=O)OCC ZINC000276800704 359549914 /nfs/dbraw/zinc/54/99/14/359549914.db2.gz LUCARRHYUSRTKO-GFCCVEGCSA-N 1 2 270.373 1.342 20 30 CDEDLO C=CCNC(=O)C[N@H+](CCC)[C@H](CC)C(=O)OCC ZINC000276800704 359549917 /nfs/dbraw/zinc/54/99/17/359549917.db2.gz LUCARRHYUSRTKO-GFCCVEGCSA-N 1 2 270.373 1.342 20 30 CDEDLO C=CCNC(=O)C[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296930179 200038101 /nfs/dbraw/zinc/03/81/01/200038101.db2.gz XBDJSCHUAQIYRC-UHFFFAOYSA-N 1 2 287.363 1.052 20 30 CDEDLO C=CCNC(=O)C[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296930179 200038103 /nfs/dbraw/zinc/03/81/03/200038103.db2.gz XBDJSCHUAQIYRC-UHFFFAOYSA-N 1 2 287.363 1.052 20 30 CDEDLO CC#CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000355710596 360083499 /nfs/dbraw/zinc/08/34/99/360083499.db2.gz FANHDEAZQKBNMC-CQSZACIVSA-N 1 2 264.369 1.159 20 30 CDEDLO CC#CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000355710596 360083503 /nfs/dbraw/zinc/08/35/03/360083503.db2.gz FANHDEAZQKBNMC-CQSZACIVSA-N 1 2 264.369 1.159 20 30 CDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)N(C)C ZINC000298278955 200380786 /nfs/dbraw/zinc/38/07/86/200380786.db2.gz XBGBGVXAQMLVRK-GFCCVEGCSA-N 1 2 262.328 1.738 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)N(C)C ZINC000298278955 200380788 /nfs/dbraw/zinc/38/07/88/200380788.db2.gz XBGBGVXAQMLVRK-GFCCVEGCSA-N 1 2 262.328 1.738 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N(C)C[C@H](C)C#N)CCC2 ZINC000337601717 360280549 /nfs/dbraw/zinc/28/05/49/360280549.db2.gz OHHNOEUAGMYUGY-DGCLKSJQSA-N 1 2 289.383 1.870 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000177324178 189044176 /nfs/dbraw/zinc/04/41/76/189044176.db2.gz OODCPTRWCSRQLM-OAHLLOKOSA-N 1 2 278.327 1.671 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000177324178 189044177 /nfs/dbraw/zinc/04/41/77/189044177.db2.gz OODCPTRWCSRQLM-OAHLLOKOSA-N 1 2 278.327 1.671 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000427682200 360683715 /nfs/dbraw/zinc/68/37/15/360683715.db2.gz HWOVCSFLMPKKGD-LLVKDONJSA-N 1 2 289.335 1.596 20 30 CDEDLO C=CC[N@H+](CCC#N)CCC(=O)NCC(=O)c1ccccc1 ZINC000428857299 360727320 /nfs/dbraw/zinc/72/73/20/360727320.db2.gz QWFYOHBKJMUMLT-UHFFFAOYSA-N 1 2 299.374 1.777 20 30 CDEDLO C=CC[N@@H+](CCC#N)CCC(=O)NCC(=O)c1ccccc1 ZINC000428857299 360727328 /nfs/dbraw/zinc/72/73/28/360727328.db2.gz QWFYOHBKJMUMLT-UHFFFAOYSA-N 1 2 299.374 1.777 20 30 CDEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](C)C#N ZINC000430503292 360929376 /nfs/dbraw/zinc/92/93/76/360929376.db2.gz KPCWHZBLEFZZTD-LBPRGKRZSA-N 1 2 262.357 1.844 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000335850708 360983100 /nfs/dbraw/zinc/98/31/00/360983100.db2.gz CEBXFBFTOFWPMY-CMPLNLGQSA-N 1 2 253.321 1.371 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@](C)(F)C1 ZINC000335850708 360983102 /nfs/dbraw/zinc/98/31/02/360983102.db2.gz CEBXFBFTOFWPMY-CMPLNLGQSA-N 1 2 253.321 1.371 20 30 CDEDLO CC#CCCCC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000433114851 361212627 /nfs/dbraw/zinc/21/26/27/361212627.db2.gz OLVDCWMLBYYWJY-CQSZACIVSA-N 1 2 288.395 1.809 20 30 CDEDLO COc1cccc([C@@H](NC(=O)[C@H](C)C#N)c2[nH+]ccn2C)c1 ZINC000609620055 363772730 /nfs/dbraw/zinc/77/27/30/363772730.db2.gz RDJZDXSUYHVGDV-BXUZGUMPSA-N 1 2 298.346 1.794 20 30 CDEDLO Cc1cc(C#N)cc(NC(=O)NCC[NH+]2CCOCC2)c1 ZINC000455963073 361462022 /nfs/dbraw/zinc/46/20/22/361462022.db2.gz AZFKTDKFEYVZBB-UHFFFAOYSA-N 1 2 288.351 1.320 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](O)C1 ZINC000246382052 291275836 /nfs/dbraw/zinc/27/58/36/291275836.db2.gz IFTMDMFVMGQENX-ZIAGYGMSSA-N 1 2 274.320 1.229 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](O)C1 ZINC000246382052 291275838 /nfs/dbraw/zinc/27/58/38/291275838.db2.gz IFTMDMFVMGQENX-ZIAGYGMSSA-N 1 2 274.320 1.229 20 30 CDEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CC(F)C1 ZINC000329304033 361472362 /nfs/dbraw/zinc/47/23/62/361472362.db2.gz ADVIZCVGANOWNL-UHFFFAOYSA-N 1 2 266.320 1.330 20 30 CDEDLO CC1(C)[C@@H]2CN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)C[C@@H]21 ZINC000329600244 361567844 /nfs/dbraw/zinc/56/78/44/361567844.db2.gz KBHOLTWDLQSUPF-MXWKQRLJSA-N 1 2 274.368 1.769 20 30 CDEDLO CC1(C)[C@@H]2CN(C([O-])=[NH+][C@@H]3CCc4[nH+]c[nH]c4C3)C[C@@H]21 ZINC000329600244 361567849 /nfs/dbraw/zinc/56/78/49/361567849.db2.gz KBHOLTWDLQSUPF-MXWKQRLJSA-N 1 2 274.368 1.769 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000520516338 361530500 /nfs/dbraw/zinc/53/05/00/361530500.db2.gz ZNYQCYJQKHDOKE-GFCCVEGCSA-N 1 2 263.341 1.569 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCCCS1 ZINC000329669387 361678428 /nfs/dbraw/zinc/67/84/28/361678428.db2.gz SKXFXYCUDYSYAF-SNVBAGLBSA-N 1 2 268.386 1.709 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCOc2cc(OC)ccc2C1 ZINC000374857355 370761622 /nfs/dbraw/zinc/76/16/22/370761622.db2.gz RBCURPBQTIJCLO-LBPRGKRZSA-N 1 2 290.363 1.580 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCOc2cc(OC)ccc2C1 ZINC000374857355 370761626 /nfs/dbraw/zinc/76/16/26/370761626.db2.gz RBCURPBQTIJCLO-LBPRGKRZSA-N 1 2 290.363 1.580 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc2c(c1)OCCO2 ZINC000566623395 370778338 /nfs/dbraw/zinc/77/83/38/370778338.db2.gz IKKWADVDWQCLPN-OAHLLOKOSA-N 1 2 289.335 1.031 20 30 CDEDLO C[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000340916709 364277346 /nfs/dbraw/zinc/27/73/46/364277346.db2.gz ALLLPXMOZHNISM-SKDRFNHKSA-N 1 2 293.754 1.605 20 30 CDEDLO C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000340916709 364277353 /nfs/dbraw/zinc/27/73/53/364277353.db2.gz ALLLPXMOZHNISM-SKDRFNHKSA-N 1 2 293.754 1.605 20 30 CDEDLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[NH2+][C@H](C)CC#N ZINC000639724980 364530736 /nfs/dbraw/zinc/53/07/36/364530736.db2.gz FUAWYKVYQSMKEF-IUODEOHRSA-N 1 2 287.363 1.195 20 30 CDEDLO Cc1sc(NC(=O)C[N@H+]2C[C@H](O)C[C@H]2C)c(C#N)c1C ZINC000340927698 364711121 /nfs/dbraw/zinc/71/11/21/364711121.db2.gz PQGPUDFNQRZFNM-LDYMZIIASA-N 1 2 293.392 1.630 20 30 CDEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2C)c(C#N)c1C ZINC000340927698 364711126 /nfs/dbraw/zinc/71/11/26/364711126.db2.gz PQGPUDFNQRZFNM-LDYMZIIASA-N 1 2 293.392 1.630 20 30 CDEDLO C=CCOCCC[N@H+]1CCSC[C@H]1C(=O)OCC ZINC000547765863 364891535 /nfs/dbraw/zinc/89/15/35/364891535.db2.gz XTAADJFPZLEPQF-LBPRGKRZSA-N 1 2 273.398 1.560 20 30 CDEDLO C=CCOCCC[N@@H+]1CCSC[C@H]1C(=O)OCC ZINC000547765863 364891540 /nfs/dbraw/zinc/89/15/40/364891540.db2.gz XTAADJFPZLEPQF-LBPRGKRZSA-N 1 2 273.398 1.560 20 30 CDEDLO C=C(C)CCn1cc(C[NH+]2CCC(OC)CC2)nn1 ZINC000641070022 364947212 /nfs/dbraw/zinc/94/72/12/364947212.db2.gz SUIIPUKZGKZYOU-UHFFFAOYSA-N 1 2 264.373 1.855 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000275654785 193096907 /nfs/dbraw/zinc/09/69/07/193096907.db2.gz CPHYLNKIPYYDDV-INIZCTEOSA-N 1 2 291.395 1.993 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCc1[nH+]ccn1C ZINC000275804711 193133565 /nfs/dbraw/zinc/13/35/65/193133565.db2.gz PHQLQVCPRRUIPK-CYBMUJFWSA-N 1 2 251.330 1.265 20 30 CDEDLO Cc1ccc(F)cc1NC(=O)[C@@H](C)O[NH+]=C(N)CCO ZINC000121340337 260709026 /nfs/dbraw/zinc/70/90/26/260709026.db2.gz GWOYBJFWPPKLPB-SECBINFHSA-N 1 2 283.303 1.132 20 30 CDEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(CO)o3)CC2)c1 ZINC000271054112 366963244 /nfs/dbraw/zinc/96/32/44/366963244.db2.gz YILNEUUVFIGRJZ-UHFFFAOYSA-N 1 2 298.346 1.361 20 30 CDEDLO C=CC[N@@H+](C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 ZINC000637962754 367323506 /nfs/dbraw/zinc/32/35/06/367323506.db2.gz ONUQMKYEVFSQPE-STQMWFEESA-N 1 2 275.414 1.477 20 30 CDEDLO C=CC[N@H+](C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 ZINC000637962754 367323510 /nfs/dbraw/zinc/32/35/10/367323510.db2.gz ONUQMKYEVFSQPE-STQMWFEESA-N 1 2 275.414 1.477 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)[C@H](C)CO1 ZINC000330693350 203123450 /nfs/dbraw/zinc/12/34/50/203123450.db2.gz HQAWKRMCHQQIIT-CHWSQXEVSA-N 1 2 287.363 1.284 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)[C@H](C)CO1 ZINC000330693350 203123454 /nfs/dbraw/zinc/12/34/54/203123454.db2.gz HQAWKRMCHQQIIT-CHWSQXEVSA-N 1 2 287.363 1.284 20 30 CDEDLO N#CC[N@H+](CCCN1CCOCC1)C1CCCC1 ZINC000075752064 369450150 /nfs/dbraw/zinc/45/01/50/369450150.db2.gz BXYXNNGMPAEHQR-UHFFFAOYSA-N 1 2 251.374 1.477 20 30 CDEDLO N#CC[N@@H+](CCCN1CCOCC1)C1CCCC1 ZINC000075752064 369450154 /nfs/dbraw/zinc/45/01/54/369450154.db2.gz BXYXNNGMPAEHQR-UHFFFAOYSA-N 1 2 251.374 1.477 20 30 CDEDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000347441557 371333590 /nfs/dbraw/zinc/33/35/90/371333590.db2.gz DLFDCTNBQXOXEH-AWEZNQCLSA-N 1 2 274.320 1.322 20 30 CDEDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1cccc(C#N)c1 ZINC000347441557 371333596 /nfs/dbraw/zinc/33/35/96/371333596.db2.gz DLFDCTNBQXOXEH-AWEZNQCLSA-N 1 2 274.320 1.322 20 30 CDEDLO C=CCn1cc(C[NH2+][C@H]2CCCc3nn(C)cc32)nn1 ZINC000573356977 371513623 /nfs/dbraw/zinc/51/36/23/371513623.db2.gz GLDDEPJBAPLOTH-ZDUSSCGKSA-N 1 2 272.356 1.365 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000573614623 371598998 /nfs/dbraw/zinc/59/89/98/371598998.db2.gz LVQORJLPQKFSSH-YCPHGPKFSA-N 1 2 289.354 1.889 20 30 CDEDLO C=CCOCCCC(=O)NCCCNc1cccc[nH+]1 ZINC000173586446 372498309 /nfs/dbraw/zinc/49/83/09/372498309.db2.gz SJCZWJRODHAYNU-UHFFFAOYSA-N 1 2 277.368 1.983 20 30 CDEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1nncn1C ZINC000050419518 373133775 /nfs/dbraw/zinc/13/37/75/373133775.db2.gz ULYYYEXKIQJMCU-SECBINFHSA-N 1 2 259.288 1.677 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](CCO)C1 ZINC000051895764 374027840 /nfs/dbraw/zinc/02/78/40/374027840.db2.gz ARJFKJITCISXMP-LLVKDONJSA-N 1 2 293.392 1.653 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](CCO)C1 ZINC000051895764 374027844 /nfs/dbraw/zinc/02/78/44/374027844.db2.gz ARJFKJITCISXMP-LLVKDONJSA-N 1 2 293.392 1.653 20 30 CDEDLO Cc1nnc(N(C)Cc2[nH+]ccn2C)c(C#N)c1C ZINC000062255555 374136015 /nfs/dbraw/zinc/13/60/15/374136015.db2.gz NTSLIHUBWULKOF-UHFFFAOYSA-N 1 2 256.313 1.335 20 30 CDEDLO N#Cc1ccccc1C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000104064894 374175072 /nfs/dbraw/zinc/17/50/72/374175072.db2.gz CGEIEGNJPOVIPF-UHFFFAOYSA-N 1 2 293.392 1.059 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cc1Cl)[C@H]1COC[C@@H]1O ZINC000352802597 374360327 /nfs/dbraw/zinc/36/03/27/374360327.db2.gz MBBRDVATHROEFI-STQMWFEESA-N 1 2 266.728 1.403 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H]1COC[C@@H]1O ZINC000352802597 374360330 /nfs/dbraw/zinc/36/03/30/374360330.db2.gz MBBRDVATHROEFI-STQMWFEESA-N 1 2 266.728 1.403 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)ccc1F ZINC000370556744 374396013 /nfs/dbraw/zinc/39/60/13/374396013.db2.gz IHGNMYMWRBORLO-GFCCVEGCSA-N 1 2 275.283 1.334 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)ccc1F ZINC000370556744 374396019 /nfs/dbraw/zinc/39/60/19/374396019.db2.gz IHGNMYMWRBORLO-GFCCVEGCSA-N 1 2 275.283 1.334 20 30 CDEDLO CCN1CCN(c2cc(C#N)ccn2)C[C@H]1c1[nH]cc[nH+]1 ZINC000376475644 374559699 /nfs/dbraw/zinc/55/96/99/374559699.db2.gz VKYFHICCJCFCLZ-ZDUSSCGKSA-N 1 2 282.351 1.560 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000376854446 374571335 /nfs/dbraw/zinc/57/13/35/374571335.db2.gz HZQGGFYQYNISCU-SNVBAGLBSA-N 1 2 269.308 1.250 20 30 CDEDLO N#Cc1ncccc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000378053846 374631261 /nfs/dbraw/zinc/63/12/61/374631261.db2.gz FQDPQNRRNYIFKH-GFCCVEGCSA-N 1 2 253.309 1.991 20 30 CDEDLO C[C@@H]1CCN(C(=O)C(C)(C)C#N)C[C@@H]1n1cc[nH+]c1 ZINC000125349570 374925666 /nfs/dbraw/zinc/92/56/66/374925666.db2.gz QMGBBMSWSKAQRM-NEPJUHHUSA-N 1 2 260.341 1.842 20 30 CDEDLO CCOC(=O)[C@H](F)C1C[NH+](Cc2cccc(C#N)c2)C1 ZINC000293878688 374976476 /nfs/dbraw/zinc/97/64/76/374976476.db2.gz JMZJMLNOVDODQN-CQSZACIVSA-N 1 2 276.311 1.891 20 30 CDEDLO COC(=O)[C@@H](C)[N@H+](C)CCOc1ccc(C#N)cc1OC ZINC000280519728 375000142 /nfs/dbraw/zinc/00/01/42/375000142.db2.gz DSOQQIQILVUFPV-LLVKDONJSA-N 1 2 292.335 1.439 20 30 CDEDLO COC(=O)[C@@H](C)[N@@H+](C)CCOc1ccc(C#N)cc1OC ZINC000280519728 375000148 /nfs/dbraw/zinc/00/01/48/375000148.db2.gz DSOQQIQILVUFPV-LLVKDONJSA-N 1 2 292.335 1.439 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000133450665 375782121 /nfs/dbraw/zinc/78/21/21/375782121.db2.gz OCXNIAXHOHYGBC-GJZGRUSLSA-N 1 2 269.348 1.801 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000133450665 375782125 /nfs/dbraw/zinc/78/21/25/375782125.db2.gz OCXNIAXHOHYGBC-GJZGRUSLSA-N 1 2 269.348 1.801 20 30 CDEDLO Cc1cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc(=O)[nH]1 ZINC000330295845 291630481 /nfs/dbraw/zinc/63/04/81/291630481.db2.gz FWPURYAFMFOALV-NSHDSACASA-N 1 2 272.308 1.612 20 30 CDEDLO CC(C)(C(=O)NCC1(C)COC1)[NH+]1CCOCC1 ZINC000328663786 375913197 /nfs/dbraw/zinc/91/31/97/375913197.db2.gz BFKZXWWPHWYNFP-UHFFFAOYSA-N 1 2 256.346 1.090 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000330466969 376140206 /nfs/dbraw/zinc/14/02/06/376140206.db2.gz XPMNBPRRXQZSFY-FRRDWIJNSA-N 1 2 267.373 1.294 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000330466969 376140214 /nfs/dbraw/zinc/14/02/14/376140214.db2.gz XPMNBPRRXQZSFY-FRRDWIJNSA-N 1 2 267.373 1.294 20 30 CDEDLO C=CCC[C@H]1NC(=O)N(CCCn2cc[nH+]c2)C1=O ZINC000419913664 376168421 /nfs/dbraw/zinc/16/84/21/376168421.db2.gz PNOVMDDKJTWGLW-LLVKDONJSA-N 1 2 262.313 1.160 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000435015294 248149381 /nfs/dbraw/zinc/14/93/81/248149381.db2.gz GZOZOIDXZNUBQO-HNNXBMFYSA-N 1 2 299.374 1.037 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000435015294 248149385 /nfs/dbraw/zinc/14/93/85/248149385.db2.gz GZOZOIDXZNUBQO-HNNXBMFYSA-N 1 2 299.374 1.037 20 30 CDEDLO CNC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000267081320 376995316 /nfs/dbraw/zinc/99/53/16/376995316.db2.gz QWGDWCRQWACDRF-UHFFFAOYSA-N 1 2 258.325 1.015 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000572060623 377677665 /nfs/dbraw/zinc/67/76/65/377677665.db2.gz QGTXZGNCEGGMHD-RTXFEEFZSA-N 1 2 263.341 1.438 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000572060623 377677672 /nfs/dbraw/zinc/67/76/72/377677672.db2.gz QGTXZGNCEGGMHD-RTXFEEFZSA-N 1 2 263.341 1.438 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000060462893 378036759 /nfs/dbraw/zinc/03/67/59/378036759.db2.gz FAQHIAIQOUBIRA-UHFFFAOYSA-N 1 2 281.153 1.953 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000060462893 378036765 /nfs/dbraw/zinc/03/67/65/378036765.db2.gz FAQHIAIQOUBIRA-UHFFFAOYSA-N 1 2 281.153 1.953 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000192236594 378177615 /nfs/dbraw/zinc/17/76/15/378177615.db2.gz FNJGCVACWUNDLU-VIFPVBQESA-N 1 2 251.355 1.652 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000192236594 378177622 /nfs/dbraw/zinc/17/76/22/378177622.db2.gz FNJGCVACWUNDLU-VIFPVBQESA-N 1 2 251.355 1.652 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000192235109 378178016 /nfs/dbraw/zinc/17/80/16/378178016.db2.gz HADWRDINFKERBA-SNVBAGLBSA-N 1 2 260.293 1.307 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000192235109 378178023 /nfs/dbraw/zinc/17/80/23/378178023.db2.gz HADWRDINFKERBA-SNVBAGLBSA-N 1 2 260.293 1.307 20 30 CDEDLO C=CC[NH+]1CCC(NC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000290261116 378371408 /nfs/dbraw/zinc/37/14/08/378371408.db2.gz OHIUBISNJTZDDB-SECBINFHSA-N 1 2 268.254 1.653 20 30 CDEDLO C=CC[NH+]1CCC(NC(=O)C(F)C(F)(F)F)CC1 ZINC000290261116 378371414 /nfs/dbraw/zinc/37/14/14/378371414.db2.gz OHIUBISNJTZDDB-SECBINFHSA-N 1 2 268.254 1.653 20 30 CDEDLO C#CCN(C)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000291023182 378425876 /nfs/dbraw/zinc/42/58/76/378425876.db2.gz MWLKDEUXDDHVDH-UHFFFAOYSA-N 1 2 296.374 1.900 20 30 CDEDLO CC#CC[N@@H+](C)CCCS(=O)(=O)c1ccccc1OC ZINC000293285465 378554143 /nfs/dbraw/zinc/55/41/43/378554143.db2.gz VQBQCFSWVCKLJV-UHFFFAOYSA-N 1 2 295.404 1.814 20 30 CDEDLO CC#CC[N@H+](C)CCCS(=O)(=O)c1ccccc1OC ZINC000293285465 378554147 /nfs/dbraw/zinc/55/41/47/378554147.db2.gz VQBQCFSWVCKLJV-UHFFFAOYSA-N 1 2 295.404 1.814 20 30 CDEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(CCC#N)CC2)C1 ZINC000066566541 378681666 /nfs/dbraw/zinc/68/16/66/378681666.db2.gz KFNUKHDOHJPLQB-HUUCEWRRSA-N 1 2 292.427 1.213 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343344580 378711962 /nfs/dbraw/zinc/71/19/62/378711962.db2.gz PDVFETTXEMGEFN-OAHLLOKOSA-N 1 2 286.335 1.592 20 30 CDEDLO C#CCOc1ccc(CNC(=O)NCCn2cc[nH+]c2)cc1 ZINC000296235836 378721279 /nfs/dbraw/zinc/72/12/79/378721279.db2.gz AYLITFDEEWZHGT-UHFFFAOYSA-N 1 2 298.346 1.395 20 30 CDEDLO C#C[C@@H](C)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000186025689 378837981 /nfs/dbraw/zinc/83/79/81/378837981.db2.gz SBIZOBSTFWYSMQ-GFCCVEGCSA-N 1 2 272.352 1.503 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1nc(-c2ccccc2C)no1 ZINC000662167565 412916273 /nfs/dbraw/zinc/91/62/73/412916273.db2.gz JYODNVBNUKMGBB-LLVKDONJSA-N 1 2 259.309 1.682 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1nc(-c2cc(C)ccn2)no1 ZINC000662168516 412917083 /nfs/dbraw/zinc/91/70/83/412917083.db2.gz JQRAAFLEAPGGKS-SNVBAGLBSA-N 1 2 260.297 1.077 20 30 CDEDLO CC(C)[C@H](NC(=O)c1cc(C#N)ccn1)c1[nH]cc[nH+]1 ZINC000288191504 197023240 /nfs/dbraw/zinc/02/32/40/197023240.db2.gz RYLUUIDDCSBNLI-LBPRGKRZSA-N 1 2 269.308 1.803 20 30 CDEDLO C[C@H](CNC(=O)c1ccc(C#N)s1)Cn1cc[nH+]c1 ZINC000487567246 252900697 /nfs/dbraw/zinc/90/06/97/252900697.db2.gz FHNZEXNICMZODO-SNVBAGLBSA-N 1 2 274.349 1.882 20 30 CDEDLO N#Cc1ccc(/C=C\C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000492755930 253287924 /nfs/dbraw/zinc/28/79/24/253287924.db2.gz ZIJKHJOVIKYAAI-YVACAVLKSA-N 1 2 292.342 1.899 20 30 CDEDLO N#Cc1ccc(C=CC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000492933732 253329379 /nfs/dbraw/zinc/32/93/79/253329379.db2.gz URGBFJKRPWSLAA-PODYEWJSSA-N 1 2 292.342 1.968 20 30 CDEDLO N#Cc1ccc(C=CC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000492933732 253329382 /nfs/dbraw/zinc/32/93/82/253329382.db2.gz URGBFJKRPWSLAA-PODYEWJSSA-N 1 2 292.342 1.968 20 30 CDEDLO C#Cc1ccc(C[N@H+](C)CCS(C)(=O)=O)cc1 ZINC000289215179 197264954 /nfs/dbraw/zinc/26/49/54/197264954.db2.gz WYRPANPRFFALTH-UHFFFAOYSA-N 1 2 251.351 1.144 20 30 CDEDLO C#Cc1ccc(C[N@@H+](C)CCS(C)(=O)=O)cc1 ZINC000289215179 197264955 /nfs/dbraw/zinc/26/49/55/197264955.db2.gz WYRPANPRFFALTH-UHFFFAOYSA-N 1 2 251.351 1.144 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000281575402 195294342 /nfs/dbraw/zinc/29/43/42/195294342.db2.gz URELWDWQWSTPNK-CXAGYDPISA-N 1 2 299.374 1.974 20 30 CDEDLO C=C[C@H](O)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000646959132 390319391 /nfs/dbraw/zinc/31/93/91/390319391.db2.gz UYIYOPMFHXBUHW-YPMHNXCESA-N 1 2 280.393 1.500 20 30 CDEDLO CO[C@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1C ZINC000451556028 390632519 /nfs/dbraw/zinc/63/25/19/390632519.db2.gz CMJKOTXNPPHKDT-JQWIXIFHSA-N 1 2 293.392 1.915 20 30 CDEDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1C ZINC000451556028 390632522 /nfs/dbraw/zinc/63/25/22/390632522.db2.gz CMJKOTXNPPHKDT-JQWIXIFHSA-N 1 2 293.392 1.915 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368143258 390860101 /nfs/dbraw/zinc/86/01/01/390860101.db2.gz RWQRHSAJQUAGHK-HIFRSBDPSA-N 1 2 295.427 1.894 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368143258 390860104 /nfs/dbraw/zinc/86/01/04/390860104.db2.gz RWQRHSAJQUAGHK-HIFRSBDPSA-N 1 2 295.427 1.894 20 30 CDEDLO NC(CN1CCOCC1)=[NH+]OCc1ccc(F)c(F)c1 ZINC000117868813 390830027 /nfs/dbraw/zinc/83/00/27/390830027.db2.gz KHNBAISSXVFHBI-UHFFFAOYSA-N 1 2 285.294 1.086 20 30 CDEDLO CCC[C@H](C)C(=O)NCCNc1cc(C)[nH+]cc1C#N ZINC000425265657 390900955 /nfs/dbraw/zinc/90/09/55/390900955.db2.gz FFKSWFKSLSIBJD-NSHDSACASA-N 1 2 274.368 1.648 20 30 CDEDLO C[C@@H]1CCN(C(=O)C2(C#N)CCC2)C[C@H]1n1cc[nH+]c1 ZINC000124119869 390913226 /nfs/dbraw/zinc/91/32/26/390913226.db2.gz XLVRWDCNQBETAO-CHWSQXEVSA-N 1 2 272.352 1.986 20 30 CDEDLO C=CCCOCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000155280537 390917990 /nfs/dbraw/zinc/91/79/90/390917990.db2.gz ZGCYCVATOAHFCK-GFCCVEGCSA-N 1 2 263.341 1.154 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CCC[C@@H]2OCC[C@H]21)N1CCn2c[nH+]cc2C1 ZINC000329557744 391013891 /nfs/dbraw/zinc/01/38/91/391013891.db2.gz BZFWHNOMUZDSQN-MJBXVCDLSA-N 1 2 290.367 1.570 20 30 CDEDLO O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)N1CCn2c[nH+]cc2C1 ZINC000329557744 391013895 /nfs/dbraw/zinc/01/38/95/391013895.db2.gz BZFWHNOMUZDSQN-MJBXVCDLSA-N 1 2 290.367 1.570 20 30 CDEDLO C[C@@H]1N(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CCOC1(C)C ZINC000329630036 391047228 /nfs/dbraw/zinc/04/72/28/391047228.db2.gz VGPNZKTXZVBPDS-QWRGUYRKSA-N 1 2 292.383 1.680 20 30 CDEDLO C[C@@H]1N(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CCOC1(C)C ZINC000329630036 391047234 /nfs/dbraw/zinc/04/72/34/391047234.db2.gz VGPNZKTXZVBPDS-QWRGUYRKSA-N 1 2 292.383 1.680 20 30 CDEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352464003 391148410 /nfs/dbraw/zinc/14/84/10/391148410.db2.gz NLLLCCIQJSEREF-LBPRGKRZSA-N 1 2 267.348 1.715 20 30 CDEDLO CN(CCC#N)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000373709618 391128430 /nfs/dbraw/zinc/12/84/30/391128430.db2.gz BAPNBRRJNNVRDQ-ZDUSSCGKSA-N 1 2 265.357 1.002 20 30 CDEDLO CN(CCC#N)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000373709618 391128432 /nfs/dbraw/zinc/12/84/32/391128432.db2.gz BAPNBRRJNNVRDQ-ZDUSSCGKSA-N 1 2 265.357 1.002 20 30 CDEDLO Cc1nc(CC(N)=[NH+]O[C@@H]2CCN(C(C)C)C2=O)cs1 ZINC000177560215 391171125 /nfs/dbraw/zinc/17/11/25/391171125.db2.gz RYMOIGCZXROBJS-LLVKDONJSA-N 1 2 296.396 1.292 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C2(C#N)CCC2)C1 ZINC000374356648 391161089 /nfs/dbraw/zinc/16/10/89/391161089.db2.gz HVQZBQNFIIBGKW-LLVKDONJSA-N 1 2 258.325 1.430 20 30 CDEDLO C#CCCCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376300742 391221366 /nfs/dbraw/zinc/22/13/66/391221366.db2.gz POSCHDHVTCSMIM-HUUCEWRRSA-N 1 2 293.411 1.295 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C/C(Cl)=C/Cl ZINC000268697493 391222480 /nfs/dbraw/zinc/22/24/80/391222480.db2.gz UFFUEAZVJQZTSI-BENRWUELSA-N 1 2 292.210 1.853 20 30 CDEDLO NC(CN1CCOCC1)=[NH+]OCCSc1ccccc1 ZINC000181885834 391228069 /nfs/dbraw/zinc/22/80/69/391228069.db2.gz FFPPEKQYMUQMLU-UHFFFAOYSA-N 1 2 295.408 1.400 20 30 CDEDLO C=CCOCC[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000339052428 391246365 /nfs/dbraw/zinc/24/63/65/391246365.db2.gz IZDWYGLMYMEZJU-GUYCJALGSA-N 1 2 297.358 1.534 20 30 CDEDLO C=CCOCC[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000339052428 391246366 /nfs/dbraw/zinc/24/63/66/391246366.db2.gz IZDWYGLMYMEZJU-GUYCJALGSA-N 1 2 297.358 1.534 20 30 CDEDLO C#CCNC(=O)CC[N@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000491733296 391247827 /nfs/dbraw/zinc/24/78/27/391247827.db2.gz ADBUROQQTDRCGW-UHFFFAOYSA-N 1 2 270.332 1.344 20 30 CDEDLO C#CCNC(=O)CC[N@@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000491733296 391247829 /nfs/dbraw/zinc/24/78/29/391247829.db2.gz ADBUROQQTDRCGW-UHFFFAOYSA-N 1 2 270.332 1.344 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(OCC)cc1 ZINC000339761581 391350952 /nfs/dbraw/zinc/35/09/52/391350952.db2.gz QZUUEFGBAAXTTG-UHFFFAOYSA-N 1 2 260.337 1.979 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(OCC)cc1 ZINC000339761581 391350957 /nfs/dbraw/zinc/35/09/57/391350957.db2.gz QZUUEFGBAAXTTG-UHFFFAOYSA-N 1 2 260.337 1.979 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000339763110 391352791 /nfs/dbraw/zinc/35/27/91/391352791.db2.gz LZEQNQKFWJMZTF-ZDUSSCGKSA-N 1 2 277.368 1.857 20 30 CDEDLO CC#CC[N@H+](C)[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000339763110 391352793 /nfs/dbraw/zinc/35/27/93/391352793.db2.gz LZEQNQKFWJMZTF-ZDUSSCGKSA-N 1 2 277.368 1.857 20 30 CDEDLO CN1CCOC[C@H]1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000328983802 391402395 /nfs/dbraw/zinc/40/23/95/391402395.db2.gz ZAMNWPJDUZGQBH-AWEZNQCLSA-N 1 2 286.335 1.791 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)c1ccc(CC#N)cc1 ZINC000355257657 391445901 /nfs/dbraw/zinc/44/59/01/391445901.db2.gz RBPVZLWYQGSWGI-UHFFFAOYSA-N 1 2 254.293 1.416 20 30 CDEDLO CC[C@@H](C#N)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000330565657 391447897 /nfs/dbraw/zinc/44/78/97/391447897.db2.gz KUZXGBHYROKHBP-FRRDWIJNSA-N 1 2 272.352 1.572 20 30 CDEDLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+](C)C[C@H](C)C#N ZINC000330614806 391459374 /nfs/dbraw/zinc/45/93/74/391459374.db2.gz SPPRCNNXZWWZLA-IJLUTSLNSA-N 1 2 280.372 1.240 20 30 CDEDLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)C[C@H](C)C#N ZINC000330614806 391459375 /nfs/dbraw/zinc/45/93/75/391459375.db2.gz SPPRCNNXZWWZLA-IJLUTSLNSA-N 1 2 280.372 1.240 20 30 CDEDLO C=CCCC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000102230598 391519830 /nfs/dbraw/zinc/51/98/30/391519830.db2.gz OYIAORWBPQYTOJ-ZDUSSCGKSA-N 1 2 289.379 1.889 20 30 CDEDLO C=CCC1(C(=O)NCC[N@H+]2CCOC[C@H]2C)CCC1 ZINC000359621694 391605264 /nfs/dbraw/zinc/60/52/64/391605264.db2.gz WSPSMIDVKFBXLR-CYBMUJFWSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CCC1(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CCC1 ZINC000359621694 391605265 /nfs/dbraw/zinc/60/52/65/391605265.db2.gz WSPSMIDVKFBXLR-CYBMUJFWSA-N 1 2 266.385 1.570 20 30 CDEDLO C[C@H]1C[C@]1(C#N)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000451288086 391654720 /nfs/dbraw/zinc/65/47/20/391654720.db2.gz RXWBTMYZBLJZPF-RMRHIDDWSA-N 1 2 279.384 1.104 20 30 CDEDLO C[C@H]1C[C@]1(C#N)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000451288086 391654723 /nfs/dbraw/zinc/65/47/23/391654723.db2.gz RXWBTMYZBLJZPF-RMRHIDDWSA-N 1 2 279.384 1.104 20 30 CDEDLO C=CC[N@@H+](C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 ZINC000412978114 391667842 /nfs/dbraw/zinc/66/78/42/391667842.db2.gz PEYQXMXHNWKYDQ-RYUDHWBXSA-N 1 2 261.387 1.087 20 30 CDEDLO C=CC[N@H+](C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 ZINC000412978114 391667845 /nfs/dbraw/zinc/66/78/45/391667845.db2.gz PEYQXMXHNWKYDQ-RYUDHWBXSA-N 1 2 261.387 1.087 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](CC)C(=O)OCC)C1=O ZINC000282024130 391669749 /nfs/dbraw/zinc/66/97/49/391669749.db2.gz PLRBFOWANKGTDI-NWDGAFQWSA-N 1 2 268.357 1.047 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](CC)C(=O)OCC)C1=O ZINC000282024130 391669750 /nfs/dbraw/zinc/66/97/50/391669750.db2.gz PLRBFOWANKGTDI-NWDGAFQWSA-N 1 2 268.357 1.047 20 30 CDEDLO Cc1nccc(NC(=O)N2CCn3c[nH+]cc3C2)n1 ZINC000329775289 391776931 /nfs/dbraw/zinc/77/69/31/391776931.db2.gz JFGHDGYZOCWIPD-UHFFFAOYSA-N 1 2 258.285 1.043 20 30 CDEDLO C[C@@H](Nc1nccc(C#N)c1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000342006098 130193848 /nfs/dbraw/zinc/19/38/48/130193848.db2.gz KOTHYJCBFUBPLH-MNOVXSKESA-N 1 2 294.786 1.550 20 30 CDEDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191422269 130234772 /nfs/dbraw/zinc/23/47/72/130234772.db2.gz VOUDVKKZZWKNSP-ZDUSSCGKSA-N 1 2 270.340 1.362 20 30 CDEDLO Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191422269 130234774 /nfs/dbraw/zinc/23/47/74/130234774.db2.gz VOUDVKKZZWKNSP-ZDUSSCGKSA-N 1 2 270.340 1.362 20 30 CDEDLO Cc1nccc([NH+]=C([O-])N[C@@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000329786311 391779078 /nfs/dbraw/zinc/77/90/78/391779078.db2.gz QOKCDMNTQVXABN-SECBINFHSA-N 1 2 272.312 1.392 20 30 CDEDLO Cc1nccc([NH+]=C([O-])N[C@@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000329786311 391779080 /nfs/dbraw/zinc/77/90/80/391779080.db2.gz QOKCDMNTQVXABN-SECBINFHSA-N 1 2 272.312 1.392 20 30 CDEDLO Cc1cc(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)no1 ZINC000329793999 391779563 /nfs/dbraw/zinc/77/95/63/391779563.db2.gz VUTVQFCWWUCXJW-QMMMGPOBSA-N 1 2 261.285 1.011 20 30 CDEDLO Cc1cc(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)no1 ZINC000329793999 391779565 /nfs/dbraw/zinc/77/95/65/391779565.db2.gz VUTVQFCWWUCXJW-QMMMGPOBSA-N 1 2 261.285 1.011 20 30 CDEDLO [O-]C(NCC1(C(F)F)CC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000329924458 391800729 /nfs/dbraw/zinc/80/07/29/391800729.db2.gz HQCUMNKFBJNOEG-VIFPVBQESA-N 1 2 284.310 1.747 20 30 CDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]CC1(C(F)F)CC1 ZINC000329924458 391800731 /nfs/dbraw/zinc/80/07/31/391800731.db2.gz HQCUMNKFBJNOEG-VIFPVBQESA-N 1 2 284.310 1.747 20 30 CDEDLO C=C(Cl)CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000372232247 391843260 /nfs/dbraw/zinc/84/32/60/391843260.db2.gz HAYCSDOTSZXMIA-NSHDSACASA-N 1 2 280.759 1.712 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CC/C=C/c1cncc(OC)c1 ZINC000491382654 391856927 /nfs/dbraw/zinc/85/69/27/391856927.db2.gz JHHSMINZIJAFJF-CSPWOOARSA-N 1 2 272.348 1.828 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CC/C=C/c1cncc(OC)c1 ZINC000491382654 391856931 /nfs/dbraw/zinc/85/69/31/391856931.db2.gz JHHSMINZIJAFJF-CSPWOOARSA-N 1 2 272.348 1.828 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC(C#N)CC1 ZINC000171687012 391933406 /nfs/dbraw/zinc/93/34/06/391933406.db2.gz SFLIMNVUZXIDRW-UHFFFAOYSA-N 1 2 294.399 1.042 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCC(C#N)CC1 ZINC000171687012 391933415 /nfs/dbraw/zinc/93/34/15/391933415.db2.gz SFLIMNVUZXIDRW-UHFFFAOYSA-N 1 2 294.399 1.042 20 30 CDEDLO Cc1cc(N2CCC(OC(=O)N(C)C)CC2)c(C#N)c[nH+]1 ZINC000496688349 391926695 /nfs/dbraw/zinc/92/66/95/391926695.db2.gz ALLLIHWEQFFILP-UHFFFAOYSA-N 1 2 288.351 1.929 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000334297010 392063982 /nfs/dbraw/zinc/06/39/82/392063982.db2.gz CQTHIGAPRQQBNF-LRDDRELGSA-N 1 2 267.332 1.908 20 30 CDEDLO C=C(C)C[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000334297010 392063988 /nfs/dbraw/zinc/06/39/88/392063988.db2.gz CQTHIGAPRQQBNF-LRDDRELGSA-N 1 2 267.332 1.908 20 30 CDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(C#N)cc3)C[C@@H]21 ZINC000152331474 392341819 /nfs/dbraw/zinc/34/18/19/392341819.db2.gz WBLKDHHRLRJEBT-UONOGXRCSA-N 1 2 286.335 1.105 20 30 CDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(C#N)cc3)C[C@@H]21 ZINC000152331474 392341824 /nfs/dbraw/zinc/34/18/24/392341824.db2.gz WBLKDHHRLRJEBT-UONOGXRCSA-N 1 2 286.335 1.105 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(C#N)c3)C[C@@H]21 ZINC000152346820 392366422 /nfs/dbraw/zinc/36/64/22/392366422.db2.gz SHNGBWPVGGBBMN-KBPBESRZSA-N 1 2 286.335 1.105 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(C#N)c3)C[C@@H]21 ZINC000152346820 392366428 /nfs/dbraw/zinc/36/64/28/392366428.db2.gz SHNGBWPVGGBBMN-KBPBESRZSA-N 1 2 286.335 1.105 20 30 CDEDLO C[C@H](C(=O)N(C)C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000263762968 131325020 /nfs/dbraw/zinc/32/50/20/131325020.db2.gz YLBIKQXEWVUZPF-CYBMUJFWSA-N 1 2 286.379 1.157 20 30 CDEDLO CC[C@]1(O)CC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000425929922 393031150 /nfs/dbraw/zinc/03/11/50/393031150.db2.gz HMIXJJOKVBSIJJ-HOCLYGCPSA-N 1 2 288.347 1.619 20 30 CDEDLO CC[C@]1(O)CC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000425929922 393031155 /nfs/dbraw/zinc/03/11/55/393031155.db2.gz HMIXJJOKVBSIJJ-HOCLYGCPSA-N 1 2 288.347 1.619 20 30 CDEDLO CCC[C@@H](C)C(=O)NCCNc1cc(C)[nH+]cc1C#N ZINC000425265656 393010796 /nfs/dbraw/zinc/01/07/96/393010796.db2.gz FFKSWFKSLSIBJD-LLVKDONJSA-N 1 2 274.368 1.648 20 30 CDEDLO COC(=O)c1cccc(C[N@H+]2CC[C@H](OC)C2)c1C#N ZINC000534468773 393097370 /nfs/dbraw/zinc/09/73/70/393097370.db2.gz DMQIDLAZEOLYCW-LBPRGKRZSA-N 1 2 274.320 1.566 20 30 CDEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@H](OC)C2)c1C#N ZINC000534468773 393097378 /nfs/dbraw/zinc/09/73/78/393097378.db2.gz DMQIDLAZEOLYCW-LBPRGKRZSA-N 1 2 274.320 1.566 20 30 CDEDLO N#Cc1csc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)c1 ZINC000092703482 393114950 /nfs/dbraw/zinc/11/49/50/393114950.db2.gz UQMZLLLCJLDHNF-STQMWFEESA-N 1 2 275.377 1.863 20 30 CDEDLO N#Cc1csc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)c1 ZINC000092703482 393114957 /nfs/dbraw/zinc/11/49/57/393114957.db2.gz UQMZLLLCJLDHNF-STQMWFEESA-N 1 2 275.377 1.863 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)c1F ZINC000494507907 393234480 /nfs/dbraw/zinc/23/44/80/393234480.db2.gz WLXUWQTWABRICL-CYBMUJFWSA-N 1 2 289.310 1.724 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCN3C(=O)OCC[C@@H]3C2)c1F ZINC000494507907 393234489 /nfs/dbraw/zinc/23/44/89/393234489.db2.gz WLXUWQTWABRICL-CYBMUJFWSA-N 1 2 289.310 1.724 20 30 CDEDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cccnc1C#N ZINC000233484550 140226499 /nfs/dbraw/zinc/22/64/99/140226499.db2.gz FZIWBEZEYLDYOW-UHFFFAOYSA-N 1 2 288.332 1.563 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000334969338 150131628 /nfs/dbraw/zinc/13/16/28/150131628.db2.gz CDXMSCJSLKZYLA-ZDUSSCGKSA-N 1 2 275.327 1.750 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1F ZINC000334969338 150131630 /nfs/dbraw/zinc/13/16/30/150131630.db2.gz CDXMSCJSLKZYLA-ZDUSSCGKSA-N 1 2 275.327 1.750 20 30 CDEDLO CCNC(=O)N1CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000335833332 151058749 /nfs/dbraw/zinc/05/87/49/151058749.db2.gz XTZAVYHRNANGIO-UHFFFAOYSA-N 1 2 286.379 1.714 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc3c(c2)OCO3)nn1 ZINC000656447032 413259932 /nfs/dbraw/zinc/25/99/32/413259932.db2.gz IDOKMUJHGPEMDE-UHFFFAOYSA-N 1 2 284.319 1.168 20 30 CDEDLO C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccon1 ZINC000349253767 154076905 /nfs/dbraw/zinc/07/69/05/154076905.db2.gz XJNXAISLEUIVDN-JTQLQIEISA-N 1 2 270.292 1.836 20 30 CDEDLO N#Cc1cccc(CNC(=O)CCc2[nH]cc[nH+]2)c1 ZINC000353761831 156066664 /nfs/dbraw/zinc/06/66/64/156066664.db2.gz VZIFBZXDVFWBCW-UHFFFAOYSA-N 1 2 254.293 1.530 20 30 CDEDLO Cn1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)cn1 ZINC000354343171 156399689 /nfs/dbraw/zinc/39/96/89/156399689.db2.gz KABIGORMQLPHLF-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO CN(C)c1ccc(CNC(=O)c2cc(C#N)c[nH]2)c[nH+]1 ZINC000359033476 158104701 /nfs/dbraw/zinc/10/47/01/158104701.db2.gz GKEFISCJTVPSMO-UHFFFAOYSA-N 1 2 269.308 1.277 20 30 CDEDLO C=CCN(CC(F)(F)F)C(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000654645362 413532074 /nfs/dbraw/zinc/53/20/74/413532074.db2.gz MRNLZJWBGYFGPT-JTQLQIEISA-N 1 2 264.291 1.904 20 30 CDEDLO C=C(C)CCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661262366 413932127 /nfs/dbraw/zinc/93/21/27/413932127.db2.gz AFTJNWAGTUXPLS-CYBMUJFWSA-N 1 2 267.373 1.069 20 30 CDEDLO C=CCOCCNC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000661280459 413947341 /nfs/dbraw/zinc/94/73/41/413947341.db2.gz JSDDWCCYMGGBNU-QWRGUYRKSA-N 1 2 264.329 1.391 20 30 CDEDLO C=CC[N@H+](CC(=O)Nc1c(C)nn(C)c1C)[C@H](C)COC ZINC000661246987 413914663 /nfs/dbraw/zinc/91/46/63/413914663.db2.gz LREPJFHTQGKGCI-LLVKDONJSA-N 1 2 294.399 1.498 20 30 CDEDLO C=CC[N@@H+](CC(=O)Nc1c(C)nn(C)c1C)[C@H](C)COC ZINC000661246987 413914677 /nfs/dbraw/zinc/91/46/77/413914677.db2.gz LREPJFHTQGKGCI-LLVKDONJSA-N 1 2 294.399 1.498 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2cc(C)ncn2)nn1 ZINC000657418241 414303366 /nfs/dbraw/zinc/30/33/66/414303366.db2.gz BNYHZIJRNGZZQY-UHFFFAOYSA-N 1 2 258.329 1.242 20 30 CDEDLO Cn1cc([C@@H]2C[N@H+](CCC(C)(C)C#N)C[C@@H]2CO)cn1 ZINC000347121360 226034377 /nfs/dbraw/zinc/03/43/77/226034377.db2.gz LVZMHJMQXDXCBG-KGLIPLIRSA-N 1 2 276.384 1.368 20 30 CDEDLO Cn1cc([C@@H]2C[N@@H+](CCC(C)(C)C#N)C[C@@H]2CO)cn1 ZINC000347121360 226034384 /nfs/dbraw/zinc/03/43/84/226034384.db2.gz LVZMHJMQXDXCBG-KGLIPLIRSA-N 1 2 276.384 1.368 20 30 CDEDLO Cc1ncoc1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000329997034 228011164 /nfs/dbraw/zinc/01/11/64/228011164.db2.gz PVUDLEZMHPQDEF-UHFFFAOYSA-N 1 2 267.329 1.398 20 30 CDEDLO Cn1cc(C[NH+]2CCN(C(=O)NCC3(C)CC3)CC2)cn1 ZINC000330039597 228024182 /nfs/dbraw/zinc/02/41/82/228024182.db2.gz CCGMSKVNOJLPRR-UHFFFAOYSA-N 1 2 291.399 1.252 20 30 CDEDLO Cc1nccc(NC(=O)NCc2cn3c([nH+]2)CCCC3)n1 ZINC000330102181 228039381 /nfs/dbraw/zinc/03/93/81/228039381.db2.gz FXFYBBJQEROODH-UHFFFAOYSA-N 1 2 286.339 1.844 20 30 CDEDLO C[C@]1(CNC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCOC1 ZINC000330177626 228056335 /nfs/dbraw/zinc/05/63/35/228056335.db2.gz DCBZKJUQKXTLJO-BXUZGUMPSA-N 1 2 278.356 1.128 20 30 CDEDLO C[C@]1(C[NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CCOC1 ZINC000330177626 228056338 /nfs/dbraw/zinc/05/63/38/228056338.db2.gz DCBZKJUQKXTLJO-BXUZGUMPSA-N 1 2 278.356 1.128 20 30 CDEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](CC2(C#N)CCC2)C1 ZINC000333758104 228212671 /nfs/dbraw/zinc/21/26/71/228212671.db2.gz ZBEXPJTVTTXLRO-KBPBESRZSA-N 1 2 291.395 1.392 20 30 CDEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](CC2(C#N)CCC2)C1 ZINC000333758104 228212672 /nfs/dbraw/zinc/21/26/72/228212672.db2.gz ZBEXPJTVTTXLRO-KBPBESRZSA-N 1 2 291.395 1.392 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@H]1C=CCC1 ZINC000070920465 260270710 /nfs/dbraw/zinc/27/07/10/260270710.db2.gz VGBMYAGFMPKKLH-HNNXBMFYSA-N 1 2 291.395 1.417 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccccc1C(=O)OCC ZINC000490851235 261224922 /nfs/dbraw/zinc/22/49/22/261224922.db2.gz FVRYNNDREPQXEL-UHFFFAOYSA-N 1 2 288.347 1.757 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccccc1C(=O)OCC ZINC000490851235 261224923 /nfs/dbraw/zinc/22/49/23/261224923.db2.gz FVRYNNDREPQXEL-UHFFFAOYSA-N 1 2 288.347 1.757 20 30 CDEDLO N#CCN1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000104090666 261289870 /nfs/dbraw/zinc/28/98/70/261289870.db2.gz WQNYIIMCBSADQY-UHFFFAOYSA-N 1 2 273.336 1.099 20 30 CDEDLO C#CC[N@@H+](CC(=O)N(CC(C)C)C(C)C)C1CC1 ZINC000491276923 261397885 /nfs/dbraw/zinc/39/78/85/261397885.db2.gz LNRUJZCETZFHRR-UHFFFAOYSA-N 1 2 250.386 1.977 20 30 CDEDLO C#CC[N@H+](CC(=O)N(CC(C)C)C(C)C)C1CC1 ZINC000491276923 261397886 /nfs/dbraw/zinc/39/78/86/261397886.db2.gz LNRUJZCETZFHRR-UHFFFAOYSA-N 1 2 250.386 1.977 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCCOC(C)C)cc1 ZINC000181585130 261903282 /nfs/dbraw/zinc/90/32/82/261903282.db2.gz OSKQZLLFCDAZAW-UHFFFAOYSA-N 1 2 252.314 1.757 20 30 CDEDLO COCc1noc(CO[NH+]=C(N)Cc2csc(C)n2)n1 ZINC000183170903 261965040 /nfs/dbraw/zinc/96/50/40/261965040.db2.gz CNSFZUQASNWEJC-UHFFFAOYSA-N 1 2 297.340 1.012 20 30 CDEDLO NC(COc1ccccc1)=[NH+]OCCO[C@H]1CCCCO1 ZINC000194712110 262241860 /nfs/dbraw/zinc/24/18/60/262241860.db2.gz PTNFDCGAOFSOTL-HNNXBMFYSA-N 1 2 294.351 1.897 20 30 CDEDLO C=CC[N@@H+](CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000336711234 262382756 /nfs/dbraw/zinc/38/27/56/262382756.db2.gz PQGZJZDEUUIINW-GFCCVEGCSA-N 1 2 277.455 1.803 20 30 CDEDLO C=CC[N@H+](CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000336711234 262382757 /nfs/dbraw/zinc/38/27/57/262382757.db2.gz PQGZJZDEUUIINW-GFCCVEGCSA-N 1 2 277.455 1.803 20 30 CDEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(C#N)CC3)C2=O)cc1 ZINC000060893355 262391901 /nfs/dbraw/zinc/39/19/01/262391901.db2.gz XLLKRZPVULQRRZ-INIZCTEOSA-N 1 2 294.358 1.899 20 30 CDEDLO C=CC[N@@H+](CCOCC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000336783705 262394674 /nfs/dbraw/zinc/39/46/74/262394674.db2.gz GCDMXYBZDQYZTM-CYBMUJFWSA-N 1 2 275.414 1.334 20 30 CDEDLO C=CC[N@H+](CCOCC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000336783705 262394675 /nfs/dbraw/zinc/39/46/75/262394675.db2.gz GCDMXYBZDQYZTM-CYBMUJFWSA-N 1 2 275.414 1.334 20 30 CDEDLO CN(C)[C@H](C(=O)Nc1ccc(CC#N)cc1)c1c[nH+]cn1C ZINC000280712045 263063972 /nfs/dbraw/zinc/06/39/72/263063972.db2.gz GJOLALHYHYQHRG-HNNXBMFYSA-N 1 2 297.362 1.728 20 30 CDEDLO C[C@@H](O[NH+]=C(N)[C@@H]1CCCO1)C(=O)Nc1cccc(F)c1 ZINC000283961609 263084934 /nfs/dbraw/zinc/08/49/34/263084934.db2.gz GCBGWKORIZJVNA-SKDRFNHKSA-N 1 2 295.314 1.621 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1c(F)cncc1F ZINC000285786293 263095594 /nfs/dbraw/zinc/09/55/94/263095594.db2.gz SUMPOQCSXGJUAD-ZJUUUORDSA-N 1 2 296.321 1.771 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000340327834 263113373 /nfs/dbraw/zinc/11/33/73/263113373.db2.gz NDPYHAIBXPHJLU-UHFFFAOYSA-N 1 2 276.384 1.656 20 30 CDEDLO CCOC(=O)[C@@H](CC)[NH+]1CCC(C#N)(COC)CC1 ZINC000341996956 263373604 /nfs/dbraw/zinc/37/36/04/263373604.db2.gz TYEYVSZAJQMDHP-GFCCVEGCSA-N 1 2 268.357 1.580 20 30 CDEDLO CC[C@H]1COCCN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000330801747 264042235 /nfs/dbraw/zinc/04/22/35/264042235.db2.gz JJPISGBPQJQEMP-ZDUSSCGKSA-N 1 2 292.383 1.672 20 30 CDEDLO CC(C)(CNC(=O)C1=CCOCC1)[NH+]1CCOCC1 ZINC000330833306 264050321 /nfs/dbraw/zinc/05/03/21/264050321.db2.gz ZBDIRIGOCUZJQE-UHFFFAOYSA-N 1 2 268.357 1.400 20 30 CDEDLO CCN1CCN(C(=O)CCCC#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330879766 264061564 /nfs/dbraw/zinc/06/15/64/264061564.db2.gz AXVVUEMNPDCJOX-GFCCVEGCSA-N 1 2 275.356 1.309 20 30 CDEDLO CCOC(C)(C)CNC(=O)N(C)Cc1[nH+]ccn1C ZINC000331269129 264168058 /nfs/dbraw/zinc/16/80/58/264168058.db2.gz FBHGQXSERUGXPH-UHFFFAOYSA-N 1 2 268.361 1.581 20 30 CDEDLO CCc1ccc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)c(O)c1 ZINC000331248032 264180311 /nfs/dbraw/zinc/18/03/11/264180311.db2.gz WMMPVAJFLYHHPW-LBPRGKRZSA-N 1 2 292.379 1.980 20 30 CDEDLO CCc1ccc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)c(O)c1 ZINC000331248032 264180313 /nfs/dbraw/zinc/18/03/13/264180313.db2.gz WMMPVAJFLYHHPW-LBPRGKRZSA-N 1 2 292.379 1.980 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000131192782 264367291 /nfs/dbraw/zinc/36/72/91/264367291.db2.gz TZXUNNSZIZFADV-VXGBXAGGSA-N 1 2 260.341 1.454 20 30 CDEDLO C=CCCn1cc(C[NH+]2CCC(O)(CC)CC2)nn1 ZINC000653559887 424284497 /nfs/dbraw/zinc/28/44/97/424284497.db2.gz ZGTVEWCNBZUQMR-UHFFFAOYSA-N 1 2 264.373 1.591 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)C(=O)OC ZINC000361115165 266787906 /nfs/dbraw/zinc/78/79/06/266787906.db2.gz WLBDAMXPQIJZAG-XQQFMLRXSA-N 1 2 255.358 1.899 20 30 CDEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1CCC#N ZINC000363006334 267072429 /nfs/dbraw/zinc/07/24/29/267072429.db2.gz FBSJAJXLCXNIFI-CQSZACIVSA-N 1 2 283.335 1.029 20 30 CDEDLO N#CCC[N@H+]1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC000368602624 267190068 /nfs/dbraw/zinc/19/00/68/267190068.db2.gz KKJBATWFOZVZEB-CYBMUJFWSA-N 1 2 265.357 1.987 20 30 CDEDLO N#CCC[N@@H+]1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC000368602624 267190069 /nfs/dbraw/zinc/19/00/69/267190069.db2.gz KKJBATWFOZVZEB-CYBMUJFWSA-N 1 2 265.357 1.987 20 30 CDEDLO C#CCCCCNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000370432703 267318518 /nfs/dbraw/zinc/31/85/18/267318518.db2.gz GEIIVGNUKPYZLM-UHFFFAOYSA-N 1 2 297.362 1.870 20 30 CDEDLO CN1CC[N@H+](CCOc2ccc(C#N)cc2)C(C)(C)C1=O ZINC000094865823 277106657 /nfs/dbraw/zinc/10/66/57/277106657.db2.gz ZQKYWHYXQILDLU-UHFFFAOYSA-N 1 2 287.363 1.490 20 30 CDEDLO CN1CC[N@@H+](CCOc2ccc(C#N)cc2)C(C)(C)C1=O ZINC000094865823 277106658 /nfs/dbraw/zinc/10/66/58/277106658.db2.gz ZQKYWHYXQILDLU-UHFFFAOYSA-N 1 2 287.363 1.490 20 30 CDEDLO C[C@@H]1C[NH+]=C(N2CCN(c3cnccc3C#N)CC2)S1 ZINC000269967111 278835166 /nfs/dbraw/zinc/83/51/66/278835166.db2.gz NORDGDDBCVMMGT-LLVKDONJSA-N 1 2 287.392 1.567 20 30 CDEDLO N#Cc1c(Cl)nsc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000372213207 279494745 /nfs/dbraw/zinc/49/47/45/279494745.db2.gz VCJZJPMMKVYSBR-VIFPVBQESA-N 1 2 298.799 1.579 20 30 CDEDLO Cc1cc(N2CCn3c[nH+]cc3C2)c(C#N)cc1[N+](=O)[O-] ZINC000413307337 280582069 /nfs/dbraw/zinc/58/20/69/280582069.db2.gz HGQUZHZSMJKMKO-UHFFFAOYSA-N 1 2 283.291 1.992 20 30 CDEDLO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000158514572 289311162 /nfs/dbraw/zinc/31/11/62/289311162.db2.gz BTLMAXFVMRPZOX-OAHLLOKOSA-N 1 2 275.327 1.798 20 30 CDEDLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000158514572 289311163 /nfs/dbraw/zinc/31/11/63/289311163.db2.gz BTLMAXFVMRPZOX-OAHLLOKOSA-N 1 2 275.327 1.798 20 30 CDEDLO N#Cc1ccc(CC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000548638508 289908513 /nfs/dbraw/zinc/90/85/13/289908513.db2.gz GONQFMHMIRUXNB-CQSZACIVSA-N 1 2 280.331 1.428 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1cccc(O)c1 ZINC000531587343 328016574 /nfs/dbraw/zinc/01/65/74/328016574.db2.gz PZCOHOUWENXAPS-ZDUSSCGKSA-N 1 2 289.379 1.832 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000531587343 328016575 /nfs/dbraw/zinc/01/65/75/328016575.db2.gz PZCOHOUWENXAPS-ZDUSSCGKSA-N 1 2 289.379 1.832 20 30 CDEDLO C[C@H](O[NH+]=C(N)[C@H]1CCCO1)c1nc(C2CC2)no1 ZINC000284445990 328245865 /nfs/dbraw/zinc/24/58/65/328245865.db2.gz PQRXAPUXILJJRM-IONNQARKSA-N 1 2 266.301 1.476 20 30 CDEDLO N#CCCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000290997002 328261690 /nfs/dbraw/zinc/26/16/90/328261690.db2.gz SMQVBTLJJFZLBU-UHFFFAOYSA-N 1 2 296.374 1.896 20 30 CDEDLO C=CC[N@@H+](C)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000121398845 328375300 /nfs/dbraw/zinc/37/53/00/328375300.db2.gz KXFXVOIGAMHOSU-UHFFFAOYSA-N 1 2 287.319 1.328 20 30 CDEDLO C=CC[N@H+](C)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000121398845 328375302 /nfs/dbraw/zinc/37/53/02/328375302.db2.gz KXFXVOIGAMHOSU-UHFFFAOYSA-N 1 2 287.319 1.328 20 30 CDEDLO C[C@@H]1OCC[C@H]1NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000328907678 328459740 /nfs/dbraw/zinc/45/97/40/328459740.db2.gz CIKHXVPEVPQVIT-CMPLNLGQSA-N 1 2 274.324 1.515 20 30 CDEDLO COc1cccc([C@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000583503176 328586092 /nfs/dbraw/zinc/58/60/92/328586092.db2.gz SELHBZYKVLVIBX-LRDDRELGSA-N 1 2 289.379 1.759 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCc3cccc(F)c3C2)CCC1 ZINC000557445299 327005745 /nfs/dbraw/zinc/00/57/45/327005745.db2.gz UXPWOFIDFGADFX-UHFFFAOYSA-N 1 2 287.338 1.746 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCc3cccc(F)c3C2)CCC1 ZINC000557445299 327005746 /nfs/dbraw/zinc/00/57/46/327005746.db2.gz UXPWOFIDFGADFX-UHFFFAOYSA-N 1 2 287.338 1.746 20 30 CDEDLO Cc1cc(N[C@@H]2CCO[C@@]3(CCOC3)C2)c(C#N)c[nH+]1 ZINC000584228106 327069345 /nfs/dbraw/zinc/06/93/45/327069345.db2.gz LXCWVPBABOYGEY-HIFRSBDPSA-N 1 2 273.336 1.434 20 30 CDEDLO C=CCn1cccc1C(=O)NCCc1c[nH+]cn1C ZINC000559019218 327138176 /nfs/dbraw/zinc/13/81/76/327138176.db2.gz MZGXRUVNIQNVPC-UHFFFAOYSA-N 1 2 258.325 1.380 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000582648699 329124863 /nfs/dbraw/zinc/12/48/63/329124863.db2.gz LOCXFMZKBJQQOQ-UPJWGTAASA-N 1 2 278.356 1.304 20 30 CDEDLO CCc1ccccc1OCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000582761052 329148136 /nfs/dbraw/zinc/14/81/36/329148136.db2.gz YUVVPODXQUGCMT-MRXNPFEDSA-N 1 2 289.379 1.588 20 30 CDEDLO C=CC[N@@H+](Cc1cc(F)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000179967313 329213396 /nfs/dbraw/zinc/21/33/96/329213396.db2.gz BVNVDYCVRADWAK-ZDUSSCGKSA-N 1 2 299.367 1.706 20 30 CDEDLO C=CC[N@H+](Cc1cc(F)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000179967313 329213397 /nfs/dbraw/zinc/21/33/97/329213397.db2.gz BVNVDYCVRADWAK-ZDUSSCGKSA-N 1 2 299.367 1.706 20 30 CDEDLO C=C(C)CS(=O)(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000184364132 329259200 /nfs/dbraw/zinc/25/92/00/329259200.db2.gz BKJPDKBUBPGVHC-UHFFFAOYSA-N 1 2 295.408 1.677 20 30 CDEDLO C#CC[N@@H+](CCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000119072743 330369903 /nfs/dbraw/zinc/36/99/03/330369903.db2.gz BNLWAZXJAVCMDX-CQSZACIVSA-N 1 2 269.410 1.689 20 30 CDEDLO C#CC[N@H+](CCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000119072743 330369904 /nfs/dbraw/zinc/36/99/04/330369904.db2.gz BNLWAZXJAVCMDX-CQSZACIVSA-N 1 2 269.410 1.689 20 30 CDEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H](C)C#N ZINC000433252848 330621433 /nfs/dbraw/zinc/62/14/33/330621433.db2.gz CNQZZVRVHRUYJX-SNVBAGLBSA-N 1 2 274.324 1.325 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000437617123 330705068 /nfs/dbraw/zinc/70/50/68/330705068.db2.gz XPBKVMOREMOGEA-UKRRQHHQSA-N 1 2 284.400 1.052 20 30 CDEDLO C=CCC1(C(=O)NC[C@H]2C[NH+]3CCN2CC3)CCCC1 ZINC000450188764 330965079 /nfs/dbraw/zinc/96/50/79/330965079.db2.gz UQVFZTRBZHZMDM-AWEZNQCLSA-N 1 2 277.412 1.239 20 30 CDEDLO C=CCC[C@H](CO)Nc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000450904732 331006187 /nfs/dbraw/zinc/00/61/87/331006187.db2.gz CHJQTQNLQCKXAB-GFCCVEGCSA-N 1 2 286.379 1.857 20 30 CDEDLO C=CCOCCC[N@@H+]1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000450986684 331010276 /nfs/dbraw/zinc/01/02/76/331010276.db2.gz QKDIENRJGYPCFN-LLVKDONJSA-N 1 2 266.345 1.630 20 30 CDEDLO C=CCOCCC[N@H+]1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000450986684 331010277 /nfs/dbraw/zinc/01/02/77/331010277.db2.gz QKDIENRJGYPCFN-LLVKDONJSA-N 1 2 266.345 1.630 20 30 CDEDLO C=C(CC)CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000454995849 331158414 /nfs/dbraw/zinc/15/84/14/331158414.db2.gz RMZJMKLBRKWBFB-ZDUSSCGKSA-N 1 2 267.373 1.115 20 30 CDEDLO C=C(CC)CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000454995849 331158415 /nfs/dbraw/zinc/15/84/15/331158415.db2.gz RMZJMKLBRKWBFB-ZDUSSCGKSA-N 1 2 267.373 1.115 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000455420426 331169444 /nfs/dbraw/zinc/16/94/44/331169444.db2.gz IKAOEWABIQWWFU-KGLIPLIRSA-N 1 2 292.383 1.648 20 30 CDEDLO C=CCC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCCCC1 ZINC000456374410 331191601 /nfs/dbraw/zinc/19/16/01/331191601.db2.gz WUQFEZRXFNJEJJ-ZDUSSCGKSA-N 1 2 266.385 1.712 20 30 CDEDLO C=CCC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC000456374410 331191602 /nfs/dbraw/zinc/19/16/02/331191602.db2.gz WUQFEZRXFNJEJJ-ZDUSSCGKSA-N 1 2 266.385 1.712 20 30 CDEDLO C=CCOc1ccccc1C[NH+]1CC(NC(C)=O)C1 ZINC000459555197 331287592 /nfs/dbraw/zinc/28/75/92/331287592.db2.gz PZHATBCISGYDKE-UHFFFAOYSA-N 1 2 260.337 1.572 20 30 CDEDLO C=CCn1cccc1C(=O)N1CC[NH+](CCOCC)CC1 ZINC000488953220 332035019 /nfs/dbraw/zinc/03/50/19/332035019.db2.gz XLGFKLUQJOZJGJ-UHFFFAOYSA-N 1 2 291.395 1.468 20 30 CDEDLO C#CC[NH+]1CCN(c2cc(C(C)C)nc3ncnn32)CC1 ZINC000490556267 332091539 /nfs/dbraw/zinc/09/15/39/332091539.db2.gz DNSALCAFMRILKS-UHFFFAOYSA-N 1 2 284.367 1.003 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000490738513 332109692 /nfs/dbraw/zinc/10/96/92/332109692.db2.gz ASCQSWCOXGJMEP-ZFWWWQNUSA-N 1 2 278.396 1.548 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000490738513 332109694 /nfs/dbraw/zinc/10/96/94/332109694.db2.gz ASCQSWCOXGJMEP-ZFWWWQNUSA-N 1 2 278.396 1.548 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cnc(N2CCOCC2)s1 ZINC000490897751 332126753 /nfs/dbraw/zinc/12/67/53/332126753.db2.gz FHDBNZFJVXJQNB-UHFFFAOYSA-N 1 2 289.404 1.438 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cnc(N2CCOCC2)s1 ZINC000490897751 332126754 /nfs/dbraw/zinc/12/67/54/332126754.db2.gz FHDBNZFJVXJQNB-UHFFFAOYSA-N 1 2 289.404 1.438 20 30 CDEDLO C#CCNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000490936107 332131007 /nfs/dbraw/zinc/13/10/07/332131007.db2.gz PIYMNRQZTNISHK-UHFFFAOYSA-N 1 2 274.368 1.718 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCO[C@H](CC)C1)C(C)C ZINC000491504563 332224628 /nfs/dbraw/zinc/22/46/28/332224628.db2.gz IOINUDYXCYMZLK-KGLIPLIRSA-N 1 2 281.400 1.054 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCO[C@H](CC)C1)C(C)C ZINC000491504563 332224629 /nfs/dbraw/zinc/22/46/29/332224629.db2.gz IOINUDYXCYMZLK-KGLIPLIRSA-N 1 2 281.400 1.054 20 30 CDEDLO N#CC1(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000575335836 335095585 /nfs/dbraw/zinc/09/55/85/335095585.db2.gz OWVGXQVEAPYQBL-UHFFFAOYSA-N 1 2 266.304 1.717 20 30 CDEDLO C#C[C@H](CCC)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000491513507 332226263 /nfs/dbraw/zinc/22/62/63/332226263.db2.gz CLKKBFXJYKYZLK-MNOVXSKESA-N 1 2 260.341 1.368 20 30 CDEDLO C#C[C@H](CCC)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000491513507 332226265 /nfs/dbraw/zinc/22/62/65/332226265.db2.gz CLKKBFXJYKYZLK-MNOVXSKESA-N 1 2 260.341 1.368 20 30 CDEDLO C#CCN(CC#CC)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000491658310 332269290 /nfs/dbraw/zinc/26/92/90/332269290.db2.gz HJWGEYBACROBTI-STQMWFEESA-N 1 2 270.336 1.557 20 30 CDEDLO C#CC[NH+]1CCN(CN2C[C@@H](C3CCCC3)CC2=O)CC1 ZINC000491695925 332291269 /nfs/dbraw/zinc/29/12/69/332291269.db2.gz OTLYUPSOUUGFPY-INIZCTEOSA-N 1 2 289.423 1.233 20 30 CDEDLO C#C[C@@H](CC)NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000491699926 332294524 /nfs/dbraw/zinc/29/45/24/332294524.db2.gz JUOBHJKDMKSMLL-VHSXEESVSA-N 1 2 287.285 1.984 20 30 CDEDLO C#CCN(Cc1c[nH+]cn1C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000491725407 332309460 /nfs/dbraw/zinc/30/94/60/332309460.db2.gz BIXGJMVGJQQTIE-CYBMUJFWSA-N 1 2 295.408 1.086 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(OCOCC)cc1 ZINC000491767858 332335456 /nfs/dbraw/zinc/33/54/56/332335456.db2.gz HMQCOJNUUGQWKI-HNNXBMFYSA-N 1 2 275.348 1.893 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(OCOCC)cc1 ZINC000491767858 332335457 /nfs/dbraw/zinc/33/54/57/332335457.db2.gz HMQCOJNUUGQWKI-HNNXBMFYSA-N 1 2 275.348 1.893 20 30 CDEDLO C#C[C@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)C(C)C ZINC000491771535 332338120 /nfs/dbraw/zinc/33/81/20/332338120.db2.gz OQNJJZVCWFYSCD-KGLIPLIRSA-N 1 2 274.368 1.715 20 30 CDEDLO C#C[C@H](CCC)NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000491772744 332338762 /nfs/dbraw/zinc/33/87/62/332338762.db2.gz UHGFUPONRXVAAD-CYBMUJFWSA-N 1 2 284.363 1.978 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000491772788 332339109 /nfs/dbraw/zinc/33/91/09/332339109.db2.gz UHGFUPONRXVAAD-ZDUSSCGKSA-N 1 2 284.363 1.978 20 30 CDEDLO C#C[C@H](CC)NC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000491794149 332354208 /nfs/dbraw/zinc/35/42/08/332354208.db2.gz OPWHYDKLBYSYEL-LLVKDONJSA-N 1 2 284.319 1.109 20 30 CDEDLO C=CCN(CCOC)C(=O)/C=C/c1[nH+]ccn1CC ZINC000493724564 332451399 /nfs/dbraw/zinc/45/13/99/332451399.db2.gz MQIVQANLABFSMA-VOTSOKGWSA-N 1 2 263.341 1.577 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1noc2ccccc12 ZINC000516945579 333087437 /nfs/dbraw/zinc/08/74/37/333087437.db2.gz RRNKLADKHZMVSJ-OAHLLOKOSA-N 1 2 286.335 1.330 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CC1CCSCC1 ZINC000564216922 333663924 /nfs/dbraw/zinc/66/39/24/333663924.db2.gz ZIMOIVCULFKECL-CYBMUJFWSA-N 1 2 269.414 1.480 20 30 CDEDLO C=CCCO[C@H](C)c1nc([C@@H]2C[N@H+](C)CCN2C)no1 ZINC000547201983 334072568 /nfs/dbraw/zinc/07/25/68/334072568.db2.gz CZARIFVVTHINCO-NEPJUHHUSA-N 1 2 280.372 1.642 20 30 CDEDLO C=CCCO[C@H](C)c1nc([C@@H]2C[N@@H+](C)CCN2C)no1 ZINC000547201983 334072569 /nfs/dbraw/zinc/07/25/69/334072569.db2.gz CZARIFVVTHINCO-NEPJUHHUSA-N 1 2 280.372 1.642 20 30 CDEDLO C=CCNC(=O)C[N@H+](CC(=O)OC(C)(C)C)[C@H](C)CC ZINC000136339379 334152291 /nfs/dbraw/zinc/15/22/91/334152291.db2.gz ZXTRUGXBMMYBBZ-GFCCVEGCSA-N 1 2 284.400 1.731 20 30 CDEDLO C=CCNC(=O)C[N@@H+](CC(=O)OC(C)(C)C)[C@H](C)CC ZINC000136339379 334152293 /nfs/dbraw/zinc/15/22/93/334152293.db2.gz ZXTRUGXBMMYBBZ-GFCCVEGCSA-N 1 2 284.400 1.731 20 30 CDEDLO C=CCn1c(C)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000548850622 334176358 /nfs/dbraw/zinc/17/63/58/334176358.db2.gz OVUOYUBUUOMIQB-UHFFFAOYSA-N 1 2 298.394 1.490 20 30 CDEDLO C=CCN(CCC#N)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000551010848 334236112 /nfs/dbraw/zinc/23/61/12/334236112.db2.gz LCRRIEBBEZWYQH-UHFFFAOYSA-N 1 2 297.318 1.201 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)C1CCCCCC1 ZINC001754475675 1159225848 /nfs/dbraw/zinc/22/58/48/1159225848.db2.gz SAMCNMSUZFDQSC-INIZCTEOSA-N 1 2 292.423 1.797 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)C1CCCCCC1 ZINC001754475675 1159225854 /nfs/dbraw/zinc/22/58/54/1159225854.db2.gz SAMCNMSUZFDQSC-INIZCTEOSA-N 1 2 292.423 1.797 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC(CCC#N)CC1 ZINC000566558194 334655319 /nfs/dbraw/zinc/65/53/19/334655319.db2.gz DDLJMSVOWAJXQA-ZDUSSCGKSA-N 1 2 289.383 1.997 20 30 CDEDLO Cc1ccc(C)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000567995856 334782700 /nfs/dbraw/zinc/78/27/00/334782700.db2.gz XCSYSQGXUOWYLY-OAHLLOKOSA-N 1 2 259.353 1.877 20 30 CDEDLO CC[C@@H]1C[C@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)CCO1 ZINC000577223665 335325871 /nfs/dbraw/zinc/32/58/71/335325871.db2.gz IBMWIJZEDBVVMI-NFAWXSAZSA-N 1 2 281.400 1.542 20 30 CDEDLO CC[C@H]1CCC[C@@H]1C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001752372910 1159527303 /nfs/dbraw/zinc/52/73/03/1159527303.db2.gz KQKGESMXGKRGTI-GJZGRUSLSA-N 1 2 292.427 1.070 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)nn1C ZINC001027777846 1159725340 /nfs/dbraw/zinc/72/53/40/1159725340.db2.gz LFHZFTHQVMGUOD-GFCCVEGCSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)nn1C ZINC001027777846 1159725345 /nfs/dbraw/zinc/72/53/45/1159725345.db2.gz LFHZFTHQVMGUOD-GFCCVEGCSA-N 1 2 296.802 1.675 20 30 CDEDLO C=CC[N@@H+](Cc1nc2c(cnn2C)c(=O)[nH]1)C1CC1 ZINC000678537245 483105132 /nfs/dbraw/zinc/10/51/32/483105132.db2.gz USGDQXCVCIWPEQ-UHFFFAOYSA-N 1 2 259.313 1.219 20 30 CDEDLO C=CC[N@H+](Cc1nc2c(cnn2C)c(=O)[nH]1)C1CC1 ZINC000678537245 483105140 /nfs/dbraw/zinc/10/51/40/483105140.db2.gz USGDQXCVCIWPEQ-UHFFFAOYSA-N 1 2 259.313 1.219 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000685707824 483209249 /nfs/dbraw/zinc/20/92/49/483209249.db2.gz ARWFIVWIEALKFY-JSGCOSHPSA-N 1 2 263.341 1.374 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC2CC2)C1 ZINC001107686918 1161322325 /nfs/dbraw/zinc/32/23/25/1161322325.db2.gz FOTGAKAWCZNCOV-HNNXBMFYSA-N 1 2 264.369 1.017 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CC2CC2)C1 ZINC001107686918 1161322331 /nfs/dbraw/zinc/32/23/31/1161322331.db2.gz FOTGAKAWCZNCOV-HNNXBMFYSA-N 1 2 264.369 1.017 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccoc1Cl ZINC001085568835 1161947525 /nfs/dbraw/zinc/94/75/25/1161947525.db2.gz SNAWPQYZLJSAPE-SNVBAGLBSA-N 1 2 266.728 1.713 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccoc1Cl ZINC001085568835 1161947528 /nfs/dbraw/zinc/94/75/28/1161947528.db2.gz SNAWPQYZLJSAPE-SNVBAGLBSA-N 1 2 266.728 1.713 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000067230163 518649789 /nfs/dbraw/zinc/64/97/89/518649789.db2.gz CMOOAFHODBGWNH-GFCCVEGCSA-N 1 2 272.776 1.452 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000067230163 518649793 /nfs/dbraw/zinc/64/97/93/518649793.db2.gz CMOOAFHODBGWNH-GFCCVEGCSA-N 1 2 272.776 1.452 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001113384721 1162164951 /nfs/dbraw/zinc/16/49/51/1162164951.db2.gz JKLZKKMCSQOMHI-UHFFFAOYSA-N 1 2 290.411 1.630 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113582266 1162231760 /nfs/dbraw/zinc/23/17/60/1162231760.db2.gz CRFFGWRMYPOMRK-ABAIWWIYSA-N 1 2 292.383 1.053 20 30 CDEDLO C=CCO[C@H](C)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC001113714470 1162263992 /nfs/dbraw/zinc/26/39/92/1162263992.db2.gz FTAAZLXRUBDNAC-CQSZACIVSA-N 1 2 284.400 1.147 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCO[C@@H](C)C1 ZINC000246379465 523654629 /nfs/dbraw/zinc/65/46/29/523654629.db2.gz IBLWAUAXDHLBDP-SWLSCSKDSA-N 1 2 288.347 1.883 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCCO[C@@H](C)C1 ZINC000246379465 523654636 /nfs/dbraw/zinc/65/46/36/523654636.db2.gz IBLWAUAXDHLBDP-SWLSCSKDSA-N 1 2 288.347 1.883 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCn2cc[nH+]c2C1 ZINC000333386077 526773357 /nfs/dbraw/zinc/77/33/57/526773357.db2.gz BRBNGKJKMRLNCL-OCCSQVGLSA-N 1 2 290.367 1.390 20 30 CDEDLO N#Cc1ncn(Cc2cn3cc(Cl)ccc3[nH+]2)c1C#N ZINC000354308884 526799053 /nfs/dbraw/zinc/79/90/53/526799053.db2.gz UFHOOKAWQARUCZ-UHFFFAOYSA-N 1 2 282.694 1.976 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1)OCC ZINC000347628648 526812092 /nfs/dbraw/zinc/81/20/92/526812092.db2.gz ZBHFBDNLEPPGQB-GJZGRUSLSA-N 1 2 298.427 1.585 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCC[N@H+]1CCO[C@@H](CC)C1)OCC ZINC000347628648 526812097 /nfs/dbraw/zinc/81/20/97/526812097.db2.gz ZBHFBDNLEPPGQB-GJZGRUSLSA-N 1 2 298.427 1.585 20 30 CDEDLO C=CC[C@@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000347325116 527092781 /nfs/dbraw/zinc/09/27/81/527092781.db2.gz VSNHRHNJWIJUIL-NWDGAFQWSA-N 1 2 278.356 1.107 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000333302893 527477795 /nfs/dbraw/zinc/47/77/95/527477795.db2.gz CHVOPOMNHKTKCW-SUHUHFCYSA-N 1 2 290.367 1.300 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000333302893 527477801 /nfs/dbraw/zinc/47/78/01/527477801.db2.gz CHVOPOMNHKTKCW-SUHUHFCYSA-N 1 2 290.367 1.300 20 30 CDEDLO CC(C)N(C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000330247765 528765414 /nfs/dbraw/zinc/76/54/14/528765414.db2.gz FUYJRAWWGOUBMH-LLVKDONJSA-N 1 2 262.357 1.985 20 30 CDEDLO CC(C)N(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000330247765 528765417 /nfs/dbraw/zinc/76/54/17/528765417.db2.gz FUYJRAWWGOUBMH-LLVKDONJSA-N 1 2 262.357 1.985 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2[nH]cnc2c1 ZINC000732064467 575077410 /nfs/dbraw/zinc/07/74/10/575077410.db2.gz OMBGOERHZDVWJO-AWEZNQCLSA-N 1 2 268.320 1.599 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2[nH]cnc2c1 ZINC000732064467 575077411 /nfs/dbraw/zinc/07/74/11/575077411.db2.gz OMBGOERHZDVWJO-AWEZNQCLSA-N 1 2 268.320 1.599 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000732064467 575077412 /nfs/dbraw/zinc/07/74/12/575077412.db2.gz OMBGOERHZDVWJO-AWEZNQCLSA-N 1 2 268.320 1.599 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000732064467 575077413 /nfs/dbraw/zinc/07/74/13/575077413.db2.gz OMBGOERHZDVWJO-AWEZNQCLSA-N 1 2 268.320 1.599 20 30 CDEDLO C=CCNC(=S)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000734098819 575156333 /nfs/dbraw/zinc/15/63/33/575156333.db2.gz JXDVOQDFVSCINY-ZDUSSCGKSA-N 1 2 290.436 1.821 20 30 CDEDLO C#CCCN(CC(F)(F)F)C(=O)CCn1cc[nH+]c1 ZINC000767154944 576163575 /nfs/dbraw/zinc/16/35/75/576163575.db2.gz QKWLYBOSCUZCJH-UHFFFAOYSA-N 1 2 273.258 1.687 20 30 CDEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)c1cnn(C)c1 ZINC000761844926 576597284 /nfs/dbraw/zinc/59/72/84/576597284.db2.gz DFXBTAMFCTWKGU-UHFFFAOYSA-N 1 2 282.311 1.232 20 30 CDEDLO Cc1[nH+]c[nH]c1CN=Nc1ccc(C(F)(F)F)nn1 ZINC000755814557 575539984 /nfs/dbraw/zinc/53/99/84/575539984.db2.gz MWZJASSGBRXNEE-UHFFFAOYSA-N 1 2 270.218 1.973 20 30 CDEDLO CC[C@@]1(C)NC(=O)N(N=Cc2cccc3[nH+]ccn32)C1=O ZINC000771090378 575547722 /nfs/dbraw/zinc/54/77/22/575547722.db2.gz WBLMUTVKPOQVNI-CQSZACIVSA-N 1 2 285.307 1.389 20 30 CDEDLO Cc1cc(N=NCc2cccc3[nH+]ccn32)ncn1 ZINC000771099891 575548431 /nfs/dbraw/zinc/54/84/31/575548431.db2.gz HCENMQZWDBNNFT-UHFFFAOYSA-N 1 2 252.281 1.879 20 30 CDEDLO C#C[C@@H](C)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000772976678 575771734 /nfs/dbraw/zinc/77/17/34/575771734.db2.gz SMBGRMUERJLSDB-GFCCVEGCSA-N 1 2 253.305 1.683 20 30 CDEDLO C=C(Cl)CNC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000773996546 575847496 /nfs/dbraw/zinc/84/74/96/575847496.db2.gz ZLODGEBKJSVTIP-RYUDHWBXSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)CNC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000773996546 575847497 /nfs/dbraw/zinc/84/74/97/575847497.db2.gz ZLODGEBKJSVTIP-RYUDHWBXSA-N 1 2 274.792 1.745 20 30 CDEDLO C[C@H]1CCC[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766611196 576115454 /nfs/dbraw/zinc/11/54/54/576115454.db2.gz GFGWHVSBDUKYFG-LBPRGKRZSA-N 1 2 271.364 1.898 20 30 CDEDLO C[C@H]1CCC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766611196 576115457 /nfs/dbraw/zinc/11/54/57/576115457.db2.gz GFGWHVSBDUKYFG-LBPRGKRZSA-N 1 2 271.364 1.898 20 30 CDEDLO C#CCCCOC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000766900574 576144089 /nfs/dbraw/zinc/14/40/89/576144089.db2.gz MTXGBWTWLVNQEF-MRXNPFEDSA-N 1 2 287.359 1.844 20 30 CDEDLO C#CCCCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000766900574 576144091 /nfs/dbraw/zinc/14/40/91/576144091.db2.gz MTXGBWTWLVNQEF-MRXNPFEDSA-N 1 2 287.359 1.844 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)O[NH+]=C(N)COC(C)(C)C ZINC000768932835 576318126 /nfs/dbraw/zinc/31/81/26/576318126.db2.gz QEFNXZFSYROTDQ-LBPRGKRZSA-N 1 2 297.399 1.889 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000740860391 576519098 /nfs/dbraw/zinc/51/90/98/576519098.db2.gz PTULQQZNABZAKY-VHSXEESVSA-N 1 2 253.375 1.683 20 30 CDEDLO C=CCn1nnn(C[N@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000740860391 576519100 /nfs/dbraw/zinc/51/91/00/576519100.db2.gz PTULQQZNABZAKY-VHSXEESVSA-N 1 2 253.375 1.683 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2nc(C)ncc2Cl)CC1 ZINC000742060157 576580415 /nfs/dbraw/zinc/58/04/15/576580415.db2.gz NNQAAJQFRPXNCF-UHFFFAOYSA-N 1 2 292.770 1.220 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1sc(C)nc1C ZINC000742088522 576581244 /nfs/dbraw/zinc/58/12/44/576581244.db2.gz NFWJGPCGHQMXQF-LBPRGKRZSA-N 1 2 277.393 1.474 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1sc(C)nc1C ZINC000742088522 576581246 /nfs/dbraw/zinc/58/12/46/576581246.db2.gz NFWJGPCGHQMXQF-LBPRGKRZSA-N 1 2 277.393 1.474 20 30 CDEDLO CC(C)ON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000761848357 576597742 /nfs/dbraw/zinc/59/77/42/576597742.db2.gz GQXVFBFSXFPFNJ-UHFFFAOYSA-N 1 2 277.368 1.564 20 30 CDEDLO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2nnnn2C2CC2)cc1 ZINC000742387517 576599845 /nfs/dbraw/zinc/59/98/45/576599845.db2.gz CHRMLYDUVQIDOS-NSHDSACASA-N 1 2 298.350 1.589 20 30 CDEDLO C#CCNC(=O)C[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000743872946 576660261 /nfs/dbraw/zinc/66/02/61/576660261.db2.gz GAMGZGNDPFXGIK-DZGCQCFKSA-N 1 2 272.348 1.198 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000743872946 576660263 /nfs/dbraw/zinc/66/02/63/576660263.db2.gz GAMGZGNDPFXGIK-DZGCQCFKSA-N 1 2 272.348 1.198 20 30 CDEDLO COc1ccc([NH+]2CCC(NC(=O)CC#N)CC2)cc1 ZINC000763250997 576725929 /nfs/dbraw/zinc/72/59/29/576725929.db2.gz ZDDQLOCUJUPLKG-UHFFFAOYSA-N 1 2 273.336 1.694 20 30 CDEDLO C#CC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000753907891 576865497 /nfs/dbraw/zinc/86/54/97/576865497.db2.gz QXTIGJCGKYYAAB-CQSZACIVSA-N 1 2 269.304 1.268 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000754286189 576890279 /nfs/dbraw/zinc/89/02/79/576890279.db2.gz COCUFVZSCLZIOG-SNVBAGLBSA-N 1 2 280.397 1.172 20 30 CDEDLO COC(=O)C1CCC(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)CC1 ZINC000754963876 576923321 /nfs/dbraw/zinc/92/33/21/576923321.db2.gz FPVSPJJHTBNHMF-SKVSWLLESA-N 1 2 292.383 1.566 20 30 CDEDLO CCCCCNC(=S)NN=Cc1c[nH+]cn1C ZINC000755585520 576950233 /nfs/dbraw/zinc/95/02/33/576950233.db2.gz CIMDSQIQZSEBAE-UHFFFAOYSA-N 1 2 253.375 1.408 20 30 CDEDLO CC(C)C[N@H+](CCC#N)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000755669926 576954463 /nfs/dbraw/zinc/95/44/63/576954463.db2.gz IHUYIRHXPAQLPW-OKILXGFUSA-N 1 2 281.400 1.494 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000755669926 576954464 /nfs/dbraw/zinc/95/44/64/576954464.db2.gz IHUYIRHXPAQLPW-OKILXGFUSA-N 1 2 281.400 1.494 20 30 CDEDLO C[C@@H]1C[N@H+](CC/N=C/c2cccc(O)c2O)CCO1 ZINC000750949665 577018524 /nfs/dbraw/zinc/01/85/24/577018524.db2.gz HBKCMDLSLJIAPT-BTAWCLGRSA-N 1 2 264.325 1.237 20 30 CDEDLO C[C@@H]1C[N@@H+](CC/N=C/c2cccc(O)c2O)CCO1 ZINC000750949665 577018526 /nfs/dbraw/zinc/01/85/26/577018526.db2.gz HBKCMDLSLJIAPT-BTAWCLGRSA-N 1 2 264.325 1.237 20 30 CDEDLO C(=NNC1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000757589675 577044408 /nfs/dbraw/zinc/04/44/08/577044408.db2.gz HSVROLGZZGSAPR-UHFFFAOYSA-N 1 2 270.336 1.975 20 30 CDEDLO CCn1cc[nH+]c1CN=Nc1ccc(C(=O)OC)cn1 ZINC000758119753 577072677 /nfs/dbraw/zinc/07/26/77/577072677.db2.gz ZYMDGYUOXGOZBF-UHFFFAOYSA-N 1 2 273.296 1.531 20 30 CDEDLO CN1CCc2cc(C=[NH+]Nc3[nH]cnc4ncnc3-4)ccc21 ZINC000752728240 577120955 /nfs/dbraw/zinc/12/09/55/577120955.db2.gz YAUMSZQSVWYDEN-UHFFFAOYSA-N 1 2 293.334 1.791 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2c[nH]nc2C2CC2)C1 ZINC000957079944 612991555 /nfs/dbraw/zinc/99/15/55/612991555.db2.gz BSPJGVNMOFAVKC-UHFFFAOYSA-N 1 2 286.379 1.457 20 30 CDEDLO C#CCC[N@H+]1CCCN(C(=O)c2cc(C(C)C)[nH]n2)CC1 ZINC000982010509 613005326 /nfs/dbraw/zinc/00/53/26/613005326.db2.gz CFQZQPXIQMTJOL-UHFFFAOYSA-N 1 2 288.395 1.704 20 30 CDEDLO C#CCC[N@@H+]1CCCN(C(=O)c2cc(C(C)C)[nH]n2)CC1 ZINC000982010509 613005327 /nfs/dbraw/zinc/00/53/27/613005327.db2.gz CFQZQPXIQMTJOL-UHFFFAOYSA-N 1 2 288.395 1.704 20 30 CDEDLO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971571373 613083354 /nfs/dbraw/zinc/08/33/54/613083354.db2.gz WBTFLPMTVPXORO-BDAKNGLRSA-N 1 2 266.238 1.053 20 30 CDEDLO C#CC[N@H+](C)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971571373 613083356 /nfs/dbraw/zinc/08/33/56/613083356.db2.gz WBTFLPMTVPXORO-BDAKNGLRSA-N 1 2 266.238 1.053 20 30 CDEDLO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000971571373 613083357 /nfs/dbraw/zinc/08/33/57/613083357.db2.gz WBTFLPMTVPXORO-BDAKNGLRSA-N 1 2 266.238 1.053 20 30 CDEDLO C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000971571373 613083359 /nfs/dbraw/zinc/08/33/59/613083359.db2.gz WBTFLPMTVPXORO-BDAKNGLRSA-N 1 2 266.238 1.053 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2cc(C(C)C)no2)CC1 ZINC000982080843 613157250 /nfs/dbraw/zinc/15/72/50/613157250.db2.gz BHFDNYLNFJBUQG-UHFFFAOYSA-N 1 2 275.352 1.579 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc(C(C)C)no2)CC1 ZINC000982080843 613157252 /nfs/dbraw/zinc/15/72/52/613157252.db2.gz BHFDNYLNFJBUQG-UHFFFAOYSA-N 1 2 275.352 1.579 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2coc(CC3CC3)n2)CC1 ZINC000983134042 613159955 /nfs/dbraw/zinc/15/99/55/613159955.db2.gz VKLATIAGEXFGBL-UHFFFAOYSA-N 1 2 287.363 1.408 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2coc(CC3CC3)n2)CC1 ZINC000983134042 613159956 /nfs/dbraw/zinc/15/99/56/613159956.db2.gz VKLATIAGEXFGBL-UHFFFAOYSA-N 1 2 287.363 1.408 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3=CCCC3)C2)C1 ZINC000972338946 613210951 /nfs/dbraw/zinc/21/09/51/613210951.db2.gz KNZKTWDZYFICPW-INIZCTEOSA-N 1 2 274.364 1.033 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3=CCCC3)C2)C1 ZINC000972338946 613210953 /nfs/dbraw/zinc/21/09/53/613210953.db2.gz KNZKTWDZYFICPW-INIZCTEOSA-N 1 2 274.364 1.033 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccccc3)C2)C1 ZINC000972440065 613211010 /nfs/dbraw/zinc/21/10/10/613211010.db2.gz ZEGIPLRJDRCWMA-SFHVURJKSA-N 1 2 298.386 1.166 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccccc3)C2)C1 ZINC000972440065 613211011 /nfs/dbraw/zinc/21/10/11/613211011.db2.gz ZEGIPLRJDRCWMA-SFHVURJKSA-N 1 2 298.386 1.166 20 30 CDEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC000948951207 613279940 /nfs/dbraw/zinc/27/99/40/613279940.db2.gz UBSOHEHUPIQXMQ-KBRIMQKVSA-N 1 2 282.387 1.991 20 30 CDEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC000948951207 613279942 /nfs/dbraw/zinc/27/99/42/613279942.db2.gz UBSOHEHUPIQXMQ-KBRIMQKVSA-N 1 2 282.387 1.991 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c(C)nnn2CC)C1 ZINC000950497768 613295921 /nfs/dbraw/zinc/29/59/21/613295921.db2.gz UJWOICAVFGXALV-UHFFFAOYSA-N 1 2 291.399 1.329 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2csc(=O)[nH]2)C1 ZINC000951205880 613297504 /nfs/dbraw/zinc/29/75/04/613297504.db2.gz PLFJRVSQWCGWJL-UHFFFAOYSA-N 1 2 281.381 1.571 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ncc(OC)cn2)C1 ZINC000950836165 613297824 /nfs/dbraw/zinc/29/78/24/613297824.db2.gz ZACHIGAGMDUBNY-UHFFFAOYSA-N 1 2 290.367 1.208 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1 ZINC000949175970 613318107 /nfs/dbraw/zinc/31/81/07/613318107.db2.gz NLPCICIPDTYNLL-INIZCTEOSA-N 1 2 286.375 1.710 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(Cl)no2)CC1 ZINC000957418735 613320479 /nfs/dbraw/zinc/32/04/79/613320479.db2.gz LBBFYVWFFKKIBA-UHFFFAOYSA-N 1 2 269.732 1.662 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cccc3c[nH]nc32)CC1 ZINC000949590362 613321068 /nfs/dbraw/zinc/32/10/68/613321068.db2.gz VHUJIBFMTLFXHW-UHFFFAOYSA-N 1 2 284.363 1.897 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccn(C(C)C)n2)CC1 ZINC000951116999 613321257 /nfs/dbraw/zinc/32/12/57/613321257.db2.gz WIKMGAATXBYTLC-UHFFFAOYSA-N 1 2 276.384 1.798 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnc(C)nc2OC)CC1 ZINC000948653436 613321435 /nfs/dbraw/zinc/32/14/35/613321435.db2.gz FMEGSYJLPODUDP-UHFFFAOYSA-N 1 2 290.367 1.128 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000970281440 613371495 /nfs/dbraw/zinc/37/14/95/613371495.db2.gz CHYYVWIATLOYAH-XEZLXBQYSA-N 1 2 284.787 1.068 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1nnc[nH]1 ZINC000969076275 613373218 /nfs/dbraw/zinc/37/32/18/613373218.db2.gz UGYXXNORVDTOAS-NSHDSACASA-N 1 2 297.790 1.532 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1nnc[nH]1 ZINC000969076275 613373219 /nfs/dbraw/zinc/37/32/19/613373219.db2.gz UGYXXNORVDTOAS-NSHDSACASA-N 1 2 297.790 1.532 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cncnc2)C1 ZINC000965936813 613378088 /nfs/dbraw/zinc/37/80/88/613378088.db2.gz VOOMEZLDACMJJW-GXFFZTMASA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cncnc2)C1 ZINC000965936813 613378089 /nfs/dbraw/zinc/37/80/89/613378089.db2.gz VOOMEZLDACMJJW-GXFFZTMASA-N 1 2 294.786 1.669 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000981887722 613473190 /nfs/dbraw/zinc/47/31/90/613473190.db2.gz NQTBOFCZKCQEPX-CJNGLKHVSA-N 1 2 293.411 1.012 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000981887722 613473194 /nfs/dbraw/zinc/47/31/94/613473194.db2.gz NQTBOFCZKCQEPX-CJNGLKHVSA-N 1 2 293.411 1.012 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2cc(F)ccc2F)CC1 ZINC000949921819 613563351 /nfs/dbraw/zinc/56/33/51/613563351.db2.gz JQZNRHCWDUNFSC-UHFFFAOYSA-N 1 2 292.329 1.675 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2cncs2)CC1 ZINC000950521808 613708374 /nfs/dbraw/zinc/70/83/74/613708374.db2.gz XMXFALCEUBBJJO-UHFFFAOYSA-N 1 2 265.382 1.406 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000952438941 613711005 /nfs/dbraw/zinc/71/10/05/613711005.db2.gz AQOJXMOKZUFPLF-QWHCGFSZSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2Cc3ccccc3CO2)CC1 ZINC000957509531 613711656 /nfs/dbraw/zinc/71/16/56/613711656.db2.gz XNMGZRWBONKMGJ-INIZCTEOSA-N 1 2 286.375 1.458 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccnc2OCC)CC1 ZINC000957517903 613717563 /nfs/dbraw/zinc/71/75/63/613717563.db2.gz XOXZBUIJHWOTEZ-UHFFFAOYSA-N 1 2 275.352 1.424 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cn(C)nc2Cl)CC1 ZINC000957293323 613717793 /nfs/dbraw/zinc/71/77/93/613717793.db2.gz PYRZIYDKUHCPRV-UHFFFAOYSA-N 1 2 268.748 1.017 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cn3c(cccc3C)n2)CC1 ZINC000957590583 613718233 /nfs/dbraw/zinc/71/82/33/613718233.db2.gz AIKRPNGWUQRENN-UHFFFAOYSA-N 1 2 284.363 1.587 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)C=CCC3)C2)C1 ZINC000972506733 613723212 /nfs/dbraw/zinc/72/32/12/613723212.db2.gz PKQYXMGZROONGL-IRXDYDNUSA-N 1 2 290.407 1.832 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)C=CCC3)C2)C1 ZINC000972506733 613723216 /nfs/dbraw/zinc/72/32/16/613723216.db2.gz PKQYXMGZROONGL-IRXDYDNUSA-N 1 2 290.407 1.832 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC(C)C)C2)C1 ZINC000972230330 613723643 /nfs/dbraw/zinc/72/36/43/613723643.db2.gz KRZMCCGOCSZGSO-HNNXBMFYSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC(C)C)C2)C1 ZINC000972230330 613723644 /nfs/dbraw/zinc/72/36/44/613723644.db2.gz KRZMCCGOCSZGSO-HNNXBMFYSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3coc(C)c3)C2)C1 ZINC000972356747 613727276 /nfs/dbraw/zinc/72/72/76/613727276.db2.gz FZTHMNKVSKBKLF-MRXNPFEDSA-N 1 2 290.363 1.691 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3coc(C)c3)C2)C1 ZINC000972356747 613727277 /nfs/dbraw/zinc/72/72/77/613727277.db2.gz FZTHMNKVSKBKLF-MRXNPFEDSA-N 1 2 290.363 1.691 20 30 CDEDLO C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC000968630854 613774004 /nfs/dbraw/zinc/77/40/04/613774004.db2.gz CIBMJPIZKARKKA-XHDPSFHLSA-N 1 2 299.378 1.584 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC000968630854 613774007 /nfs/dbraw/zinc/77/40/07/613774007.db2.gz CIBMJPIZKARKKA-XHDPSFHLSA-N 1 2 299.378 1.584 20 30 CDEDLO Cc1cc(C#N)ccc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000891553320 617474516 /nfs/dbraw/zinc/47/45/16/617474516.db2.gz UQLCVGICWIAABE-UHFFFAOYSA-N 1 2 286.379 1.077 20 30 CDEDLO C#CC[NH+]1CCN(c2cc(C)cc(F)c2C#N)CC1 ZINC000891676635 617534016 /nfs/dbraw/zinc/53/40/16/617534016.db2.gz CZBQOYJGMMFBLB-UHFFFAOYSA-N 1 2 257.312 1.761 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H](C#N)C1 ZINC000925609731 617554192 /nfs/dbraw/zinc/55/41/92/617554192.db2.gz AQIBXLMYVPKQEW-KGLIPLIRSA-N 1 2 294.399 1.042 20 30 CDEDLO C=C1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000894307644 618566576 /nfs/dbraw/zinc/56/65/76/618566576.db2.gz DXHUEFZLUARLKJ-LBPRGKRZSA-N 1 2 260.341 1.560 20 30 CDEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000826381159 618592508 /nfs/dbraw/zinc/59/25/08/618592508.db2.gz ZKCUTDDVHWDPSP-GXFFZTMASA-N 1 2 286.314 1.788 20 30 CDEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000826381161 618592570 /nfs/dbraw/zinc/59/25/70/618592570.db2.gz ZKCUTDDVHWDPSP-ZWNOBZJWSA-N 1 2 286.314 1.788 20 30 CDEDLO C#CC1CC[NH+](CCS(=O)(=O)c2ccccc2)CC1 ZINC000830302016 618625912 /nfs/dbraw/zinc/62/59/12/618625912.db2.gz YCKDTDWSGQFTRM-UHFFFAOYSA-N 1 2 277.389 1.806 20 30 CDEDLO Cc1n[nH]c(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c1C ZINC000894468437 618904637 /nfs/dbraw/zinc/90/46/37/618904637.db2.gz XFINPYOFGJUHEC-UHFFFAOYSA-N 1 2 296.378 1.615 20 30 CDEDLO CC(C)N1CCC[C@H](O[NH+]=C(N)c2ccc(F)cc2)C1=O ZINC000748443698 619017002 /nfs/dbraw/zinc/01/70/02/619017002.db2.gz MCJQRCBALUMYNV-ZDUSSCGKSA-N 1 2 293.342 1.862 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CCCN1O ZINC000895162863 619382962 /nfs/dbraw/zinc/38/29/62/619382962.db2.gz OJNAIJOVZYJKLR-JTQLQIEISA-N 1 2 288.706 1.655 20 30 CDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898504258 621780818 /nfs/dbraw/zinc/78/08/18/621780818.db2.gz PKBRDRPKLHRELD-KKUMJFAQSA-N 1 2 298.402 1.908 20 30 CDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898504258 621780820 /nfs/dbraw/zinc/78/08/20/621780820.db2.gz PKBRDRPKLHRELD-KKUMJFAQSA-N 1 2 298.402 1.908 20 30 CDEDLO C=C1CCC(C(=O)NCC[N@H+]2CCOC[C@@H]2CC)CC1 ZINC000899194825 622088990 /nfs/dbraw/zinc/08/89/90/622088990.db2.gz KWIPVXLMALEGOP-HNNXBMFYSA-N 1 2 280.412 1.960 20 30 CDEDLO C=C1CCC(C(=O)NCC[N@@H+]2CCOC[C@@H]2CC)CC1 ZINC000899194825 622088992 /nfs/dbraw/zinc/08/89/92/622088992.db2.gz KWIPVXLMALEGOP-HNNXBMFYSA-N 1 2 280.412 1.960 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)c1cccc(C#CCO)c1 ZINC000901116899 623875417 /nfs/dbraw/zinc/87/54/17/623875417.db2.gz HMXKMWPSCLBJPF-UHFFFAOYSA-N 1 2 297.358 1.389 20 30 CDEDLO Cn1cncc1/C=C1\CC/C(=C/c2c[nH+]cn2C)C1=O ZINC000901417712 624229125 /nfs/dbraw/zinc/22/91/25/624229125.db2.gz UEUMSUSKFVGWRF-JTAXDKCCSA-N 1 2 268.320 1.984 20 30 CDEDLO Cn1cncc1/C=C1/CC/C(=C\c2c[nH+]cn2C)C1=O ZINC000901417712 624229126 /nfs/dbraw/zinc/22/91/26/624229126.db2.gz UEUMSUSKFVGWRF-JTAXDKCCSA-N 1 2 268.320 1.984 20 30 CDEDLO Cn1cncc1/C=C1/COC/C(=C/c2c[nH+]cn2C)C1=O ZINC000901478761 624268398 /nfs/dbraw/zinc/26/83/98/624268398.db2.gz AWOVYXFOYKYRNS-LPPGRIHKSA-N 1 2 284.319 1.220 20 30 CDEDLO Cc1[nH]c(C=C2S/C(=N/C3CC3)NC2=O)[nH+]c1C ZINC000901537908 624324995 /nfs/dbraw/zinc/32/49/95/624324995.db2.gz JUNNUKXYEHRYTJ-WEVVVXLNSA-N 1 2 262.338 1.749 20 30 CDEDLO Cc1[nH]c(C=C2SC(=NC3CC3)NC2=O)[nH+]c1C ZINC000901537908 624324997 /nfs/dbraw/zinc/32/49/97/624324997.db2.gz JUNNUKXYEHRYTJ-WEVVVXLNSA-N 1 2 262.338 1.749 20 30 CDEDLO CC#CCCCC(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913463044 630495352 /nfs/dbraw/zinc/49/53/52/630495352.db2.gz QIOHJCRKAAGTPJ-CQSZACIVSA-N 1 2 274.368 1.087 20 30 CDEDLO CC#CCCCC(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913463043 630495481 /nfs/dbraw/zinc/49/54/81/630495481.db2.gz QIOHJCRKAAGTPJ-AWEZNQCLSA-N 1 2 274.368 1.087 20 30 CDEDLO C=C(C)CNC(=S)NCCCCn1cc[nH+]c1 ZINC000918165577 632337273 /nfs/dbraw/zinc/33/72/73/632337273.db2.gz GNPAQUFTMZBONE-UHFFFAOYSA-N 1 2 252.387 1.704 20 30 CDEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)NCCC#N)CC2 ZINC000920088571 632720306 /nfs/dbraw/zinc/72/03/06/632720306.db2.gz ICIXDEMFTGQTPM-UHFFFAOYSA-N 1 2 273.336 1.083 20 30 CDEDLO COc1ccc2c(c1)C[N@H+](CC(=O)NCCC#N)CC2 ZINC000920088571 632720309 /nfs/dbraw/zinc/72/03/09/632720309.db2.gz ICIXDEMFTGQTPM-UHFFFAOYSA-N 1 2 273.336 1.083 20 30 CDEDLO CC1(C)OCC(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)CO1 ZINC001209193123 1158502620 /nfs/dbraw/zinc/50/26/20/1158502620.db2.gz FFZQBLOHJSMSKV-GFCCVEGCSA-N 1 2 283.393 1.660 20 30 CDEDLO CC1(C)OCC(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)CO1 ZINC001209193123 1158502622 /nfs/dbraw/zinc/50/26/22/1158502622.db2.gz FFZQBLOHJSMSKV-GFCCVEGCSA-N 1 2 283.393 1.660 20 30 CDEDLO CC[C@@H](Cc1ccc2c(c1)OCO2)N1CC[NH2+]C[C@@H]1C#N ZINC001170436883 1162441819 /nfs/dbraw/zinc/44/18/19/1162441819.db2.gz LCMXBHTZXHXBBV-KBPBESRZSA-N 1 2 287.363 1.534 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C)CC)C1 ZINC001149167011 1158734013 /nfs/dbraw/zinc/73/40/13/1158734013.db2.gz BCEOZYWDDKUQCD-WCQYABFASA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C)CC)C1 ZINC001149167011 1158734019 /nfs/dbraw/zinc/73/40/19/1158734019.db2.gz BCEOZYWDDKUQCD-WCQYABFASA-N 1 2 288.819 1.992 20 30 CDEDLO N#CC1(C[NH2+]Cc2cnc(C3OCCO3)s2)CC1 ZINC000809659729 1163066360 /nfs/dbraw/zinc/06/63/60/1163066360.db2.gz XXWMKFVPZCCTKH-UHFFFAOYSA-N 1 2 265.338 1.582 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](CCC)OC)CC1 ZINC001113188118 1162126006 /nfs/dbraw/zinc/12/60/06/1162126006.db2.gz BWHWREHVFLGYDO-CQSZACIVSA-N 1 2 284.400 1.148 20 30 CDEDLO N#CCc1cc[nH+]c(NCc2nc(-c3nn[nH]n3)cs2)c1 ZINC001606351960 1163875921 /nfs/dbraw/zinc/87/59/21/1163875921.db2.gz ZPZXORLPRKWPJA-UHFFFAOYSA-N 1 2 298.335 1.396 20 30 CDEDLO N#CCOc1ccc(C[N@H+]2CC(=O)NC3(CCCC3)C2)cc1 ZINC001137122711 1166061765 /nfs/dbraw/zinc/06/17/65/1166061765.db2.gz OUUUTQVOSXYVNC-UHFFFAOYSA-N 1 2 299.374 1.834 20 30 CDEDLO N#CCOc1ccc(C[N@@H+]2CC(=O)NC3(CCCC3)C2)cc1 ZINC001137122711 1166061771 /nfs/dbraw/zinc/06/17/71/1166061771.db2.gz OUUUTQVOSXYVNC-UHFFFAOYSA-N 1 2 299.374 1.834 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)CCc1cn[nH]n1 ZINC001155326244 1167127224 /nfs/dbraw/zinc/12/72/24/1167127224.db2.gz WBMONUSKRUTNDG-LLVKDONJSA-N 1 2 299.806 1.316 20 30 CDEDLO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CCc1cn[nH]n1 ZINC001155326244 1167127226 /nfs/dbraw/zinc/12/72/26/1167127226.db2.gz WBMONUSKRUTNDG-LLVKDONJSA-N 1 2 299.806 1.316 20 30 CDEDLO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CCc1c[nH]nn1 ZINC001155326244 1167127232 /nfs/dbraw/zinc/12/72/32/1167127232.db2.gz WBMONUSKRUTNDG-LLVKDONJSA-N 1 2 299.806 1.316 20 30 CDEDLO N#Cc1cc(F)cc(-c2noc([C@@H]([NH3+])Cn3cccn3)n2)c1 ZINC001247229417 1167412798 /nfs/dbraw/zinc/41/27/98/1167412798.db2.gz SPTNSUMZXCJMSA-LBPRGKRZSA-N 1 2 298.281 1.644 20 30 CDEDLO C#CC[N@@H+](Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC001588350890 1173049959 /nfs/dbraw/zinc/04/99/59/1173049959.db2.gz VFYWJKLXIXNLDI-UHFFFAOYSA-N 1 2 271.299 1.603 20 30 CDEDLO C#CC[N@H+](Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC001588350890 1173049968 /nfs/dbraw/zinc/04/99/68/1173049968.db2.gz VFYWJKLXIXNLDI-UHFFFAOYSA-N 1 2 271.299 1.603 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001604013727 1175719448 /nfs/dbraw/zinc/71/94/48/1175719448.db2.gz NOKOKGGHAMCSEB-LLVKDONJSA-N 1 2 274.303 1.788 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cocn1 ZINC001731799189 1182589797 /nfs/dbraw/zinc/58/97/97/1182589797.db2.gz DHSCAHMXDSIILQ-UHFFFAOYSA-N 1 2 257.721 1.479 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cocn1 ZINC001731799189 1182589801 /nfs/dbraw/zinc/58/98/01/1182589801.db2.gz DHSCAHMXDSIILQ-UHFFFAOYSA-N 1 2 257.721 1.479 20 30 CDEDLO CCC[C@@H](C(=O)NCC[NH+]1CCN(CC#N)CC1)C(C)C ZINC001752374600 1184854263 /nfs/dbraw/zinc/85/42/63/1184854263.db2.gz KLCNYJNCYPCEIZ-OAHLLOKOSA-N 1 2 294.443 1.316 20 30 CDEDLO CCCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001754575004 1185671394 /nfs/dbraw/zinc/67/13/94/1185671394.db2.gz LLNUYJRAORKPSJ-ZIAGYGMSSA-N 1 2 297.399 1.765 20 30 CDEDLO CC(C)(C(=O)N1CC[C@@](C)(CNCC#N)C1)c1c[nH+]c[nH]1 ZINC001754710855 1185712347 /nfs/dbraw/zinc/71/23/47/1185712347.db2.gz OKIUNKDKVITYMS-HNNXBMFYSA-N 1 2 289.383 1.039 20 30 CDEDLO C=CCCC(=O)NCC1(O)C[NH+](Cc2ccc(C)cc2)C1 ZINC001754764648 1185725586 /nfs/dbraw/zinc/72/55/86/1185725586.db2.gz LHRPFRUEEKZHFU-UHFFFAOYSA-N 1 2 288.391 1.624 20 30 CDEDLO C=CCC[N@@H+](C)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001755324457 1185917636 /nfs/dbraw/zinc/91/76/36/1185917636.db2.gz MIPQFYWKKPTULR-LLVKDONJSA-N 1 2 264.373 1.273 20 30 CDEDLO C=CCC[N@H+](C)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001755324457 1185917641 /nfs/dbraw/zinc/91/76/41/1185917641.db2.gz MIPQFYWKKPTULR-LLVKDONJSA-N 1 2 264.373 1.273 20 30 CDEDLO C#CCC[NH+]1CC(CCO)(NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001755332606 1185921492 /nfs/dbraw/zinc/92/14/92/1185921492.db2.gz FYXZYRZNUITTIP-OAHLLOKOSA-N 1 2 290.407 1.309 20 30 CDEDLO C=C(C)CCC(=O)N[C@H](C)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001755974836 1186115420 /nfs/dbraw/zinc/11/54/20/1186115420.db2.gz UZFZMVRXWWUTFS-VXGBXAGGSA-N 1 2 292.383 1.318 20 30 CDEDLO CC(=[NH+]Nc1cnnn1C)c1cc(F)c(N)c(F)c1 ZINC000814980876 1164103608 /nfs/dbraw/zinc/10/36/08/1164103608.db2.gz NVAKMIHWQSTATK-UHFFFAOYSA-N 1 2 266.255 1.512 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000800349875 752932049 /nfs/dbraw/zinc/93/20/49/752932049.db2.gz VYCZFBAQEIQBCY-KBPBESRZSA-N 1 2 283.368 1.374 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1(C2CC2)CCC1 ZINC000884329598 751346829 /nfs/dbraw/zinc/34/68/29/751346829.db2.gz QLXMFRCWRZSFJO-LBPRGKRZSA-N 1 2 280.368 1.130 20 30 CDEDLO C=C(Br)C[NH+]1CCC(NC(=O)OC)CC1 ZINC000852769113 753025766 /nfs/dbraw/zinc/02/57/66/753025766.db2.gz OIHIDRVSWPGWSG-UHFFFAOYSA-N 1 2 277.162 1.715 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cnnn2C)CC[C@@H]1C ZINC001071482158 751390053 /nfs/dbraw/zinc/39/00/53/751390053.db2.gz UUTCOSXAUHHUGB-WDEREUQCSA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cnnn2C)CC[C@@H]1C ZINC001071482158 751390061 /nfs/dbraw/zinc/39/00/61/751390061.db2.gz UUTCOSXAUHHUGB-WDEREUQCSA-N 1 2 297.790 1.150 20 30 CDEDLO C#CCOc1cccc(NC(=O)Cc2[nH]c[nH+]c2C)c1 ZINC000791358463 751392283 /nfs/dbraw/zinc/39/22/83/751392283.db2.gz AKZMOIXTLGJBRH-UHFFFAOYSA-N 1 2 269.304 1.911 20 30 CDEDLO Cc1nc(N2CC[NH+](C[C@H](O)CC#N)CC2)sc1C ZINC000930083033 751398177 /nfs/dbraw/zinc/39/81/77/751398177.db2.gz CRMOTYNMLGBYMK-GFCCVEGCSA-N 1 2 280.397 1.157 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000874703195 753134119 /nfs/dbraw/zinc/13/41/19/753134119.db2.gz OODDQJGDNUHKEK-ZIAGYGMSSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000874703195 753134126 /nfs/dbraw/zinc/13/41/26/753134126.db2.gz OODDQJGDNUHKEK-ZIAGYGMSSA-N 1 2 284.400 1.195 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]cc1C ZINC001017542132 751426162 /nfs/dbraw/zinc/42/61/62/751426162.db2.gz VCZGGPHFRREYAE-BETUJISGSA-N 1 2 272.352 1.030 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]cc1C ZINC001017542132 751426168 /nfs/dbraw/zinc/42/61/68/751426168.db2.gz VCZGGPHFRREYAE-BETUJISGSA-N 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ZINC001035319913 751620697 /nfs/dbraw/zinc/62/06/97/751620697.db2.gz MOLXCDGENBKFJD-ZDUSSCGKSA-N 1 2 275.352 1.007 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cncs2)CC[C@@H]1C ZINC001071376178 751703151 /nfs/dbraw/zinc/70/31/51/751703151.db2.gz PDPYUSDGUVQWRE-QWRGUYRKSA-N 1 2 263.366 1.359 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cncs2)CC[C@@H]1C ZINC001071376178 751703152 /nfs/dbraw/zinc/70/31/52/751703152.db2.gz PDPYUSDGUVQWRE-QWRGUYRKSA-N 1 2 263.366 1.359 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnn(CC)n2)C1 ZINC001046297540 751768301 /nfs/dbraw/zinc/76/83/01/751768301.db2.gz FTBDYOGIRQBCPQ-CYBMUJFWSA-N 1 2 297.790 1.245 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnn(CC)n2)C1 ZINC001046297540 751768322 /nfs/dbraw/zinc/76/83/22/751768322.db2.gz FTBDYOGIRQBCPQ-CYBMUJFWSA-N 1 2 297.790 1.245 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCOC2)C1 ZINC001033768131 751800068 /nfs/dbraw/zinc/80/00/68/751800068.db2.gz XQUIJFHQVAZLGZ-OLZOCXBDSA-N 1 2 286.803 1.698 20 30 CDEDLO 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C#CC[C@H](CCOC)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000863391902 751832334 /nfs/dbraw/zinc/83/23/34/751832334.db2.gz YMIUROAPZWCOPZ-VXGBXAGGSA-N 1 2 255.358 1.735 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1CCC ZINC001032579524 751838946 /nfs/dbraw/zinc/83/89/46/751838946.db2.gz DWMYFURIBHCXHS-KBPBESRZSA-N 1 2 285.391 1.889 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1CCC ZINC001032579524 751838947 /nfs/dbraw/zinc/83/89/47/751838947.db2.gz DWMYFURIBHCXHS-KBPBESRZSA-N 1 2 285.391 1.889 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cncnc2C2CC2)C1 ZINC001044250155 751850922 /nfs/dbraw/zinc/85/09/22/751850922.db2.gz OGLHJARDWDGYAH-UHFFFAOYSA-N 1 2 284.363 1.134 20 30 CDEDLO C#CCN(C(=O)c1cc(C(F)F)[nH]n1)C1CC[NH+](C)CC1 ZINC000886574578 751853588 /nfs/dbraw/zinc/85/35/88/751853588.db2.gz LIVIFWFLAORFOF-UHFFFAOYSA-N 1 2 296.321 1.517 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)cc1C ZINC001032763099 751859733 /nfs/dbraw/zinc/85/97/33/751859733.db2.gz KZZPPMXPZJZMRO-GJZGRUSLSA-N 1 2 268.360 1.835 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)cc1C ZINC001032763099 751859734 /nfs/dbraw/zinc/85/97/34/751859734.db2.gz KZZPPMXPZJZMRO-GJZGRUSLSA-N 1 2 268.360 1.835 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCc3cccnc32)C1 ZINC001043668028 751866782 /nfs/dbraw/zinc/86/67/82/751866782.db2.gz UMPGRYGICCSFAB-OAHLLOKOSA-N 1 2 283.375 1.277 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn[nH]3)C[C@@H]21 ZINC001041957191 751882485 /nfs/dbraw/zinc/88/24/85/751882485.db2.gz DKUWNRMRRKCOFO-YPMHNXCESA-N 1 2 294.786 1.699 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccn[nH]3)C[C@@H]21 ZINC001041957191 751882488 /nfs/dbraw/zinc/88/24/88/751882488.db2.gz DKUWNRMRRKCOFO-YPMHNXCESA-N 1 2 294.786 1.699 20 30 CDEDLO COc1ccc2c(c1)CC[N@@H+](CC(=O)NCCC#N)C2 ZINC000852551040 751902431 /nfs/dbraw/zinc/90/24/31/751902431.db2.gz OCLIEDZDJHLTCK-UHFFFAOYSA-N 1 2 273.336 1.083 20 30 CDEDLO COc1ccc2c(c1)CC[N@H+](CC(=O)NCCC#N)C2 ZINC000852551040 751902439 /nfs/dbraw/zinc/90/24/39/751902439.db2.gz OCLIEDZDJHLTCK-UHFFFAOYSA-N 1 2 273.336 1.083 20 30 CDEDLO C[C@H]1C[C@@H]([NH2+]Cc2cnsn2)CN1C(=O)C#CC1CC1 ZINC000988809776 751902936 /nfs/dbraw/zinc/90/29/36/751902936.db2.gz FBQQZNUDBLNABD-CMPLNLGQSA-N 1 2 290.392 1.031 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)NC[C@H]3CCN(CC#N)C3)ccn12 ZINC001028539160 752001103 /nfs/dbraw/zinc/00/11/03/752001103.db2.gz PKDOYSZFRZNICE-CYBMUJFWSA-N 1 2 297.362 1.218 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1scnc1C ZINC001032709609 752045728 /nfs/dbraw/zinc/04/57/28/752045728.db2.gz DZVDYRPQBCCOHD-STQMWFEESA-N 1 2 289.404 1.302 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1scnc1C ZINC001032709609 752045730 /nfs/dbraw/zinc/04/57/30/752045730.db2.gz DZVDYRPQBCCOHD-STQMWFEESA-N 1 2 289.404 1.302 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C)cc2)C1 ZINC000887340820 752056882 /nfs/dbraw/zinc/05/68/82/752056882.db2.gz NJIZJCUGPZWNIJ-HNNXBMFYSA-N 1 2 299.374 1.147 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C)cc2)C1 ZINC000887340820 752056891 /nfs/dbraw/zinc/05/68/91/752056891.db2.gz NJIZJCUGPZWNIJ-HNNXBMFYSA-N 1 2 299.374 1.147 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCO[C@H]2C)C1 ZINC001042656231 752094190 /nfs/dbraw/zinc/09/41/90/752094190.db2.gz ZOAFLVYZSQOXTJ-GXTWGEPZSA-N 1 2 266.385 1.520 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C1CCOCC1 ZINC001027719208 752390332 /nfs/dbraw/zinc/39/03/32/752390332.db2.gz DKRIJLQSQBIVLS-ZDUSSCGKSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C1CCOCC1 ZINC001027719208 752390340 /nfs/dbraw/zinc/39/03/40/752390340.db2.gz DKRIJLQSQBIVLS-ZDUSSCGKSA-N 1 2 286.803 1.746 20 30 CDEDLO N#Cc1sc(N2CCc3[nH+]c[nH]c3C2)nc1Cl ZINC000853636938 752432500 /nfs/dbraw/zinc/43/25/00/752432500.db2.gz LIMPLQBWVGKOCM-UHFFFAOYSA-N 1 2 265.729 1.954 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cc(C)c(Cl)cn2)C1 ZINC001043070015 752261334 /nfs/dbraw/zinc/26/13/34/752261334.db2.gz IKXWDABRKMXUKB-UHFFFAOYSA-N 1 2 293.798 1.915 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn(C)c2C2CC2)C1 ZINC001044367521 752269682 /nfs/dbraw/zinc/26/96/82/752269682.db2.gz ZZYCUJZJZFYFLV-UHFFFAOYSA-N 1 2 288.395 1.630 20 30 CDEDLO C=CC[N@H+](CN1CCC2(CCOCC2)C1=O)[C@H](C)COC ZINC000853534798 749369340 /nfs/dbraw/zinc/36/93/40/749369340.db2.gz MLIJJYXKICKHQP-CQSZACIVSA-N 1 2 296.411 1.496 20 30 CDEDLO C=CC[N@@H+](CN1CCC2(CCOCC2)C1=O)[C@H](C)COC ZINC000853534798 749369352 /nfs/dbraw/zinc/36/93/52/749369352.db2.gz MLIJJYXKICKHQP-CQSZACIVSA-N 1 2 296.411 1.496 20 30 CDEDLO C=CC[NH2+]C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000996621732 749391229 /nfs/dbraw/zinc/39/12/29/749391229.db2.gz SIVSINKPNFZAJT-VIFPVBQESA-N 1 2 268.254 1.653 20 30 CDEDLO C=CC[NH2+]C1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000996621732 749391243 /nfs/dbraw/zinc/39/12/43/749391243.db2.gz SIVSINKPNFZAJT-VIFPVBQESA-N 1 2 268.254 1.653 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)CC(C)(C)CC(C)=O)C1 ZINC000923564151 749428609 /nfs/dbraw/zinc/42/86/09/749428609.db2.gz NWYDHEUYLJRXNZ-CQSZACIVSA-N 1 2 278.396 1.596 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)CC(C)(C)CC(C)=O)C1 ZINC000923564151 749428615 /nfs/dbraw/zinc/42/86/15/749428615.db2.gz NWYDHEUYLJRXNZ-CQSZACIVSA-N 1 2 278.396 1.596 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1nc2c(s1)CCC2)[C@@H]1CCCO1 ZINC000775345980 749479952 /nfs/dbraw/zinc/47/99/52/749479952.db2.gz AOMBVXRJUCYAMT-PWSUYJOCSA-N 1 2 262.378 1.902 20 30 CDEDLO NC(Cc1ccccc1)=[NH+]OCCOCC(F)F ZINC000189247719 749488560 /nfs/dbraw/zinc/48/85/60/749488560.db2.gz VXGCQCGPKGTNKG-UHFFFAOYSA-N 1 2 258.268 1.800 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](CN2C[C@@H](C3CC3)CC2=O)C1 ZINC000853525385 749510533 /nfs/dbraw/zinc/51/05/33/749510533.db2.gz VUJDOZXAYHTPGE-JSGCOSHPSA-N 1 2 261.369 1.828 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](CN2C[C@@H](C3CC3)CC2=O)C1 ZINC000853525385 749510546 /nfs/dbraw/zinc/51/05/46/749510546.db2.gz VUJDOZXAYHTPGE-JSGCOSHPSA-N 1 2 261.369 1.828 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2occ3c2CCC3)C1 ZINC001043477113 749607278 /nfs/dbraw/zinc/60/72/78/749607278.db2.gz ZHVLCZUGQXWWBS-UHFFFAOYSA-N 1 2 272.348 1.548 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1nn(C)cc1C ZINC001027880362 749611874 /nfs/dbraw/zinc/61/18/74/749611874.db2.gz NLGDHXBIPOISQR-LBPRGKRZSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1nn(C)cc1C ZINC001027880362 749611882 /nfs/dbraw/zinc/61/18/82/749611882.db2.gz NLGDHXBIPOISQR-LBPRGKRZSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@H](F)C2)C1 ZINC001043660620 749671956 /nfs/dbraw/zinc/67/19/56/749671956.db2.gz UFTVZVMGSYSDIY-NEPJUHHUSA-N 1 2 254.349 1.843 20 30 CDEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C[N@H+](CCCC#N)CCO1 ZINC000158889024 749776755 /nfs/dbraw/zinc/77/67/55/749776755.db2.gz YXIMGXJSIGFLFX-CHWSQXEVSA-N 1 2 297.399 1.904 20 30 CDEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C[N@@H+](CCCC#N)CCO1 ZINC000158889024 749776761 /nfs/dbraw/zinc/77/67/61/749776761.db2.gz YXIMGXJSIGFLFX-CHWSQXEVSA-N 1 2 297.399 1.904 20 30 CDEDLO C#CCCOC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000859063695 749875458 /nfs/dbraw/zinc/87/54/58/749875458.db2.gz XLLLCUIBAUSTGN-QWHCGFSZSA-N 1 2 261.325 1.926 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2cc[nH]n2)CC[C@@H]1C ZINC001071405065 749891008 /nfs/dbraw/zinc/89/10/08/749891008.db2.gz YIGRCHYKLRESJS-WCQYABFASA-N 1 2 296.802 1.674 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2cc[nH]n2)CC[C@@H]1C ZINC001071405065 749891011 /nfs/dbraw/zinc/89/10/11/749891011.db2.gz YIGRCHYKLRESJS-WCQYABFASA-N 1 2 296.802 1.674 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(CCCC)c1C ZINC001038906214 749902150 /nfs/dbraw/zinc/90/21/50/749902150.db2.gz VJLHVKBHJGBXMY-AWEZNQCLSA-N 1 2 288.395 1.429 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(CCCC)c1C ZINC001038906214 749902155 /nfs/dbraw/zinc/90/21/55/749902155.db2.gz VJLHVKBHJGBXMY-AWEZNQCLSA-N 1 2 288.395 1.429 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cc1cc2n(n1)CCCC2 ZINC000852750433 749907158 /nfs/dbraw/zinc/90/71/58/749907158.db2.gz VFHKOUDPGYHYEM-UHFFFAOYSA-N 1 2 261.369 1.691 20 30 CDEDLO C#CCC[N@H+](CCOC)Cc1cc2n(n1)CCCC2 ZINC000852750433 749907167 /nfs/dbraw/zinc/90/71/67/749907167.db2.gz VFHKOUDPGYHYEM-UHFFFAOYSA-N 1 2 261.369 1.691 20 30 CDEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCO1)CC2 ZINC001035649699 749929174 /nfs/dbraw/zinc/92/91/74/749929174.db2.gz YWUOXFKAZCVMFT-ZDUSSCGKSA-N 1 2 298.814 1.842 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)c(F)cc1F ZINC001038647166 749936028 /nfs/dbraw/zinc/93/60/28/749936028.db2.gz OSLMJIXSDSEBBG-SECBINFHSA-N 1 2 282.265 1.541 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)c(F)cc1F ZINC001038647166 749936033 /nfs/dbraw/zinc/93/60/33/749936033.db2.gz OSLMJIXSDSEBBG-SECBINFHSA-N 1 2 282.265 1.541 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2cc[nH]c2c1 ZINC001032467910 749945084 /nfs/dbraw/zinc/94/50/84/749945084.db2.gz BTKWHVRJZPSFHQ-STQMWFEESA-N 1 2 280.331 1.095 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2cc[nH]c2c1 ZINC001032467910 749945093 /nfs/dbraw/zinc/94/50/93/749945093.db2.gz BTKWHVRJZPSFHQ-STQMWFEESA-N 1 2 280.331 1.095 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2n(n1)CCCC2 ZINC001032465805 749949461 /nfs/dbraw/zinc/94/94/61/749949461.db2.gz VWTBXDFYHZCHQF-GJZGRUSLSA-N 1 2 298.390 1.141 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2n(n1)CCCC2 ZINC001032465805 749949468 /nfs/dbraw/zinc/94/94/68/749949468.db2.gz VWTBXDFYHZCHQF-GJZGRUSLSA-N 1 2 298.390 1.141 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2sc(C)nc2C)C1 ZINC001043397881 750014768 /nfs/dbraw/zinc/01/47/68/750014768.db2.gz CQOYHIOIIIUQMA-UHFFFAOYSA-N 1 2 279.409 1.631 20 30 CDEDLO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001041303021 750070605 /nfs/dbraw/zinc/07/06/05/750070605.db2.gz BIRAHCUEZPUIMM-ZYHUDNBSSA-N 1 2 294.292 1.997 20 30 CDEDLO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001041303021 750070619 /nfs/dbraw/zinc/07/06/19/750070619.db2.gz BIRAHCUEZPUIMM-ZYHUDNBSSA-N 1 2 294.292 1.997 20 30 CDEDLO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001041303021 750070625 /nfs/dbraw/zinc/07/06/25/750070625.db2.gz BIRAHCUEZPUIMM-ZYHUDNBSSA-N 1 2 294.292 1.997 20 30 CDEDLO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001041303021 750070634 /nfs/dbraw/zinc/07/06/34/750070634.db2.gz BIRAHCUEZPUIMM-ZYHUDNBSSA-N 1 2 294.292 1.997 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CCOC2(C[NH+](CCCF)C2)C1 ZINC001053408371 750114837 /nfs/dbraw/zinc/11/48/37/750114837.db2.gz HPNZDSMQOQTRKL-OAHLLOKOSA-N 1 2 298.402 1.862 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1cn(Cc2ccccc2)nn1)[C@@H]1CCCO1 ZINC000775797256 750134625 /nfs/dbraw/zinc/13/46/25/750134625.db2.gz CATHFRRWYCXHOS-SJORKVTESA-N 1 2 296.374 1.597 20 30 CDEDLO Cc1ccc(NCC[N@H+]2C[C@H](C)OC[C@H]2C)c(C#N)n1 ZINC000882599446 750163663 /nfs/dbraw/zinc/16/36/63/750163663.db2.gz XDWFECOYRKKLJK-OLZOCXBDSA-N 1 2 274.368 1.783 20 30 CDEDLO Cc1ccc(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c(C#N)n1 ZINC000882599446 750163670 /nfs/dbraw/zinc/16/36/70/750163670.db2.gz XDWFECOYRKKLJK-OLZOCXBDSA-N 1 2 274.368 1.783 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC12CCCC2 ZINC001032717051 750321920 /nfs/dbraw/zinc/32/19/20/750321920.db2.gz PGNBGNRRMGUJLX-IHRRRGAJSA-N 1 2 258.365 1.485 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC12CCCC2 ZINC001032717051 750321927 /nfs/dbraw/zinc/32/19/27/750321927.db2.gz PGNBGNRRMGUJLX-IHRRRGAJSA-N 1 2 258.365 1.485 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC001014365310 750354261 /nfs/dbraw/zinc/35/42/61/750354261.db2.gz ORYHQMFIQKBLMB-DTWKUNHWSA-N 1 2 264.703 1.585 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC001014365310 750354264 /nfs/dbraw/zinc/35/42/64/750354264.db2.gz ORYHQMFIQKBLMB-DTWKUNHWSA-N 1 2 264.703 1.585 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@]1(C)C=CCC1)CCO2 ZINC001053380888 750355105 /nfs/dbraw/zinc/35/51/05/750355105.db2.gz NVNWZVPUKFOOSR-INIZCTEOSA-N 1 2 290.407 1.832 20 30 CDEDLO C=CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc3[nH]cnc32)C1 ZINC001033523500 750429344 /nfs/dbraw/zinc/42/93/44/750429344.db2.gz QWYBXXWHMPVTEK-LBPRGKRZSA-N 1 2 284.363 1.895 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3[nH]cnc32)C1 ZINC001033523500 750429354 /nfs/dbraw/zinc/42/93/54/750429354.db2.gz QWYBXXWHMPVTEK-LBPRGKRZSA-N 1 2 284.363 1.895 20 30 CDEDLO Cc1cccc2c1CC[N@H+](CC(=O)NC1(C#N)CCC1)C2 ZINC000784341957 750435803 /nfs/dbraw/zinc/43/58/03/750435803.db2.gz NPGDUNGYQFHYHD-UHFFFAOYSA-N 1 2 283.375 1.916 20 30 CDEDLO Cc1cccc2c1CC[N@@H+](CC(=O)NC1(C#N)CCC1)C2 ZINC000784341957 750435808 /nfs/dbraw/zinc/43/58/08/750435808.db2.gz NPGDUNGYQFHYHD-UHFFFAOYSA-N 1 2 283.375 1.916 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@@H]1C ZINC001018108168 750436681 /nfs/dbraw/zinc/43/66/81/750436681.db2.gz XUBONHLQQLCPDU-KBXIAJHMSA-N 1 2 276.380 1.110 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@@H]1C ZINC001018108168 750436691 /nfs/dbraw/zinc/43/66/91/750436691.db2.gz XUBONHLQQLCPDU-KBXIAJHMSA-N 1 2 276.380 1.110 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001035479785 750547974 /nfs/dbraw/zinc/54/79/74/750547974.db2.gz MNMWONKBUXERMA-XQQFMLRXSA-N 1 2 252.358 1.036 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001035479785 750548001 /nfs/dbraw/zinc/54/80/01/750548001.db2.gz MNMWONKBUXERMA-XQQFMLRXSA-N 1 2 252.358 1.036 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCOC[C@@H]2C)C1 ZINC001030917682 750548208 /nfs/dbraw/zinc/54/82/08/750548208.db2.gz GICQPPHWBBIQEU-AAEUAGOBSA-N 1 2 252.358 1.036 20 30 CDEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(F)CC2)cc1 ZINC000880240787 750557793 /nfs/dbraw/zinc/55/77/93/750557793.db2.gz LUUZLGLCJCYBNS-ZDUSSCGKSA-N 1 2 261.300 1.519 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C2CC2)o1 ZINC001032451631 750563348 /nfs/dbraw/zinc/56/33/48/750563348.db2.gz MJIXDNWYFIRGME-RYUDHWBXSA-N 1 2 273.336 1.637 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C2CC2)o1 ZINC001032451631 750563359 /nfs/dbraw/zinc/56/33/59/750563359.db2.gz MJIXDNWYFIRGME-RYUDHWBXSA-N 1 2 273.336 1.637 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1OC ZINC001032750545 750595359 /nfs/dbraw/zinc/59/53/59/750595359.db2.gz KMHLXQHLWWGCGX-RYUDHWBXSA-N 1 2 273.336 1.175 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1OC ZINC001032750545 750595372 /nfs/dbraw/zinc/59/53/72/750595372.db2.gz KMHLXQHLWWGCGX-RYUDHWBXSA-N 1 2 273.336 1.175 20 30 CDEDLO Cc1[nH+]cc(C=NNC(=S)NCCC(C)C)n1C ZINC000853276366 750619891 /nfs/dbraw/zinc/61/98/91/750619891.db2.gz CLGDDGHESBPKFQ-UHFFFAOYSA-N 1 2 267.402 1.573 20 30 CDEDLO N#Cc1cc(NC(=O)/C=C\C[NH+]2CCOCC2)ccc1F ZINC000865150023 750645895 /nfs/dbraw/zinc/64/58/95/750645895.db2.gz OXNOVTHUXIBZCO-UPHRSURJSA-N 1 2 289.310 1.524 20 30 CDEDLO C#Cc1ccc(C[N@@H+](C)[C@@H](C)CS(=O)(=O)CC)cc1 ZINC000809575918 750663371 /nfs/dbraw/zinc/66/33/71/750663371.db2.gz GKKNDVPDIVABDC-ZDUSSCGKSA-N 1 2 279.405 1.923 20 30 CDEDLO C#Cc1ccc(C[N@H+](C)[C@@H](C)CS(=O)(=O)CC)cc1 ZINC000809575918 750663390 /nfs/dbraw/zinc/66/33/90/750663390.db2.gz GKKNDVPDIVABDC-ZDUSSCGKSA-N 1 2 279.405 1.923 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Oc1ccc(C)cc1 ZINC001032769649 750804294 /nfs/dbraw/zinc/80/42/94/750804294.db2.gz QPFNBBSWHYCTAV-PMPSAXMXSA-N 1 2 298.386 1.681 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Oc1ccc(C)cc1 ZINC001032769649 750804295 /nfs/dbraw/zinc/80/42/95/750804295.db2.gz QPFNBBSWHYCTAV-PMPSAXMXSA-N 1 2 298.386 1.681 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(C)cc2OC)C1 ZINC001044208758 750816133 /nfs/dbraw/zinc/81/61/33/750816133.db2.gz CWIWUEZPRUGIGM-UHFFFAOYSA-N 1 2 286.375 1.783 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C\C3CC3)C[C@H]21 ZINC001074200885 750831580 /nfs/dbraw/zinc/83/15/80/750831580.db2.gz BLVCUCPJIVNBRA-ILNYKDOHSA-N 1 2 290.407 1.830 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C\C3CC3)C[C@H]21 ZINC001074200885 750831581 /nfs/dbraw/zinc/83/15/81/750831581.db2.gz BLVCUCPJIVNBRA-ILNYKDOHSA-N 1 2 290.407 1.830 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn2ccc(C)cc12 ZINC001038370840 750859847 /nfs/dbraw/zinc/85/98/47/750859847.db2.gz HFIXLRHNGVKEGX-AWEZNQCLSA-N 1 2 296.374 1.470 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn2ccc(C)cc12 ZINC001038370840 750859848 /nfs/dbraw/zinc/85/98/48/750859848.db2.gz HFIXLRHNGVKEGX-AWEZNQCLSA-N 1 2 296.374 1.470 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)n2cccn2)C1 ZINC001010286823 750873560 /nfs/dbraw/zinc/87/35/60/750873560.db2.gz OXHQBMBOYGHFQV-NWDGAFQWSA-N 1 2 282.775 1.387 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)n2cccn2)C1 ZINC001010286823 750873563 /nfs/dbraw/zinc/87/35/63/750873563.db2.gz OXHQBMBOYGHFQV-NWDGAFQWSA-N 1 2 282.775 1.387 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2occ3c2CCCC3)CC1 ZINC000989557363 750876802 /nfs/dbraw/zinc/87/68/02/750876802.db2.gz JDGDFRKLJCFVQS-UHFFFAOYSA-N 1 2 286.375 1.940 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2occ3c2CCCC3)CC1 ZINC000989557363 750876803 /nfs/dbraw/zinc/87/68/03/750876803.db2.gz JDGDFRKLJCFVQS-UHFFFAOYSA-N 1 2 286.375 1.940 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(NC(C)=O)ccc1C ZINC000798891307 750885207 /nfs/dbraw/zinc/88/52/07/750885207.db2.gz USMDAHJKPACJRM-INIZCTEOSA-N 1 2 299.374 1.990 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(NC(C)=O)ccc1C ZINC000798891307 750885208 /nfs/dbraw/zinc/88/52/08/750885208.db2.gz USMDAHJKPACJRM-INIZCTEOSA-N 1 2 299.374 1.990 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2CCC(C)(C)CO2)C1 ZINC001043383961 750885572 /nfs/dbraw/zinc/88/55/72/750885572.db2.gz YDXYIZOZKCMDQR-CQSZACIVSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn(C)n1 ZINC001024800048 750962718 /nfs/dbraw/zinc/96/27/18/750962718.db2.gz VOWUKSKPYVWNGM-GFCCVEGCSA-N 1 2 296.802 1.757 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn(C)n1 ZINC001024800048 750962740 /nfs/dbraw/zinc/96/27/40/750962740.db2.gz VOWUKSKPYVWNGM-GFCCVEGCSA-N 1 2 296.802 1.757 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCCOC[C@@H]2CCCO2)cc1 ZINC000782319603 751018591 /nfs/dbraw/zinc/01/85/91/751018591.db2.gz XLLMWFZYDQGEKZ-AWEZNQCLSA-N 1 2 294.351 1.528 20 30 CDEDLO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1scnc1COC ZINC001038784077 751070627 /nfs/dbraw/zinc/07/06/27/751070627.db2.gz RHAMBAUALYDMAS-NSHDSACASA-N 1 2 293.392 1.117 20 30 CDEDLO C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1scnc1COC ZINC001038784077 751070641 /nfs/dbraw/zinc/07/06/41/751070641.db2.gz RHAMBAUALYDMAS-NSHDSACASA-N 1 2 293.392 1.117 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cscc1Cl ZINC001032462164 751076125 /nfs/dbraw/zinc/07/61/25/751076125.db2.gz IXBFBYJEWFBUGT-UWVGGRQHSA-N 1 2 280.780 1.933 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cscc1Cl ZINC001032462164 751076133 /nfs/dbraw/zinc/07/61/33/751076133.db2.gz IXBFBYJEWFBUGT-UWVGGRQHSA-N 1 2 280.780 1.933 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]1OC ZINC001017675801 751172976 /nfs/dbraw/zinc/17/29/76/751172976.db2.gz KWPRDAGHXSHWBW-FZKCQIBNSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]1OC ZINC001017675801 751172989 /nfs/dbraw/zinc/17/29/89/751172989.db2.gz KWPRDAGHXSHWBW-FZKCQIBNSA-N 1 2 290.407 1.500 20 30 CDEDLO N#Cc1ccc([C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CCO2)cc1 ZINC000887734513 751178309 /nfs/dbraw/zinc/17/83/09/751178309.db2.gz CEHXCAVDWHJXGU-AWEZNQCLSA-N 1 2 296.330 1.424 20 30 CDEDLO C#CC[C@H]1NC(=O)N(Cc2[nH+]cc(C)c(OC)c2C)C1=O ZINC000756626751 751207683 /nfs/dbraw/zinc/20/76/83/751207683.db2.gz XTLXYRUMKUECIF-LLVKDONJSA-N 1 2 287.319 1.151 20 30 CDEDLO COc1ccc(CNC(=O)CCc2[nH]cc[nH+]2)cc1C#N ZINC000807118357 751241249 /nfs/dbraw/zinc/24/12/49/751241249.db2.gz IIJLUUBVSJLDTC-UHFFFAOYSA-N 1 2 284.319 1.539 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)NCC(C)(C)CCC#N)CCO1 ZINC000806666397 751250759 /nfs/dbraw/zinc/25/07/59/751250759.db2.gz MKWNWTSVKIXIKG-CYBMUJFWSA-N 1 2 296.415 1.336 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCC(C)(C)CCC#N)CCO1 ZINC000806666397 751250760 /nfs/dbraw/zinc/25/07/60/751250760.db2.gz MKWNWTSVKIXIKG-CYBMUJFWSA-N 1 2 296.415 1.336 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ncc[nH]1 ZINC001054041845 751285879 /nfs/dbraw/zinc/28/58/79/751285879.db2.gz VJNAKRTYGZUGBI-HNNXBMFYSA-N 1 2 294.358 1.200 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ncc[nH]1 ZINC001054041845 751285885 /nfs/dbraw/zinc/28/58/85/751285885.db2.gz VJNAKRTYGZUGBI-HNNXBMFYSA-N 1 2 294.358 1.200 20 30 CDEDLO N#Cc1ccc([C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)cc1 ZINC000887739019 751305451 /nfs/dbraw/zinc/30/54/51/751305451.db2.gz MGPWGSLXLJYHDP-OAHLLOKOSA-N 1 2 296.330 1.424 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(-c2ccccc2)cn1 ZINC001038277567 752325301 /nfs/dbraw/zinc/32/53/01/752325301.db2.gz IQXVEDRETRISJF-HNNXBMFYSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(-c2ccccc2)cn1 ZINC001038277567 752325311 /nfs/dbraw/zinc/32/53/11/752325311.db2.gz IQXVEDRETRISJF-HNNXBMFYSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(F)CCCC1)CO2 ZINC001053852294 752351306 /nfs/dbraw/zinc/35/13/06/752351306.db2.gz JZKCDOBAGQRDKG-CYBMUJFWSA-N 1 2 294.370 1.252 20 30 CDEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCC#N)CC1=O ZINC000779753840 752387873 /nfs/dbraw/zinc/38/78/73/752387873.db2.gz YLYSONALHYHPLI-UHFFFAOYSA-N 1 2 295.346 1.560 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CC2CCCC2)C1 ZINC000885512693 752418509 /nfs/dbraw/zinc/41/85/09/752418509.db2.gz YABLGPRCEYJIKT-CQSZACIVSA-N 1 2 284.425 1.194 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CC2CCCC2)C1 ZINC000885512693 752418521 /nfs/dbraw/zinc/41/85/21/752418521.db2.gz YABLGPRCEYJIKT-CQSZACIVSA-N 1 2 284.425 1.194 20 30 CDEDLO C=CCC1(O)CCN(c2cc(CC(=O)OC)cc[nH+]2)CC1 ZINC000884724973 752472569 /nfs/dbraw/zinc/47/25/69/752472569.db2.gz PBBSCWXRJPZOHS-UHFFFAOYSA-N 1 2 290.363 1.705 20 30 CDEDLO C#CC[C@H]([NH2+]C1CCC(COC)CC1)C(=O)OC ZINC000839168436 752501484 /nfs/dbraw/zinc/50/14/84/752501484.db2.gz LWHIQLPFMXVEGU-BPCQOVAHSA-N 1 2 253.342 1.346 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cn[nH]c3)[C@@H]2C1 ZINC001075575800 752663575 /nfs/dbraw/zinc/66/35/75/752663575.db2.gz LJRIUYRFYDAEJM-CMPLNLGQSA-N 1 2 280.759 1.309 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cn[nH]c3)[C@@H]2C1 ZINC001075575800 752663580 /nfs/dbraw/zinc/66/35/80/752663580.db2.gz LJRIUYRFYDAEJM-CMPLNLGQSA-N 1 2 280.759 1.309 20 30 CDEDLO C=CCN(C(=O)N[C@@H](CC)C[NH+]1CCOCC1)C1CC1 ZINC000925593131 752729967 /nfs/dbraw/zinc/72/99/67/752729967.db2.gz KZQSLJPDJIURCF-ZDUSSCGKSA-N 1 2 281.400 1.457 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ncc[nH]1 ZINC001027871891 752829803 /nfs/dbraw/zinc/82/98/03/752829803.db2.gz KAQKATWKJOQLEN-SNVBAGLBSA-N 1 2 268.748 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ncc[nH]1 ZINC001027871891 752829802 /nfs/dbraw/zinc/82/98/02/752829802.db2.gz KAQKATWKJOQLEN-SNVBAGLBSA-N 1 2 268.748 1.356 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cocn1 ZINC001050841892 752902272 /nfs/dbraw/zinc/90/22/72/752902272.db2.gz LOPQYTCPPMWHKJ-GFCCVEGCSA-N 1 2 279.340 1.071 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cocn1 ZINC001050841892 752902277 /nfs/dbraw/zinc/90/22/77/752902277.db2.gz LOPQYTCPPMWHKJ-GFCCVEGCSA-N 1 2 279.340 1.071 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1OC(C)C ZINC001038946558 752909263 /nfs/dbraw/zinc/90/92/63/752909263.db2.gz FXBZUSDQYGFZJP-CQSZACIVSA-N 1 2 286.375 1.911 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1OC(C)C ZINC001038946558 752909270 /nfs/dbraw/zinc/90/92/70/752909270.db2.gz FXBZUSDQYGFZJP-CQSZACIVSA-N 1 2 286.375 1.911 20 30 CDEDLO C#CC[C@@H]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000888833011 752919682 /nfs/dbraw/zinc/91/96/82/752919682.db2.gz TUAYZWNBBTVWFF-OLZOCXBDSA-N 1 2 272.352 1.253 20 30 CDEDLO CC(C)(CNC(=O)C#Cc1cccs1)[NH+]1CCOCC1 ZINC000823771090 753013081 /nfs/dbraw/zinc/01/30/81/753013081.db2.gz REFFNMIRBHGQIU-UHFFFAOYSA-N 1 2 292.404 1.327 20 30 CDEDLO CC(N=Nc1cc(Cl)nc(N)n1)c1ccc(N)[nH+]c1 ZINC000814899466 753028146 /nfs/dbraw/zinc/02/81/46/753028146.db2.gz XUASULPIRTYNOA-UHFFFAOYSA-N 1 2 277.719 1.526 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(CC)n(C)n2)C1 ZINC001044372765 753039639 /nfs/dbraw/zinc/03/96/39/753039639.db2.gz OKVGNUWVHDGCQH-UHFFFAOYSA-N 1 2 276.384 1.315 20 30 CDEDLO C#CCNC(=O)C[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000775545241 753062058 /nfs/dbraw/zinc/06/20/58/753062058.db2.gz MBVVUGMWQFLXFC-VIFPVBQESA-N 1 2 268.719 1.879 20 30 CDEDLO Nc1ncc(C=[NH+]Nc2cncc(Br)c2)cn1 ZINC000781596465 753117797 /nfs/dbraw/zinc/11/77/97/753117797.db2.gz GQWYDRXRTPAZMR-UHFFFAOYSA-N 1 2 293.128 1.662 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1csc([C@@H](C)OC)n1 ZINC001038254016 753146850 /nfs/dbraw/zinc/14/68/50/753146850.db2.gz QDYOPIUNOWHCRF-GHMZBOCLSA-N 1 2 293.392 1.288 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1csc([C@@H](C)OC)n1 ZINC001038254016 753146854 /nfs/dbraw/zinc/14/68/54/753146854.db2.gz QDYOPIUNOWHCRF-GHMZBOCLSA-N 1 2 293.392 1.288 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cncs2)[C@@H]1C ZINC000993101446 753165353 /nfs/dbraw/zinc/16/53/53/753165353.db2.gz BDWBJPLPCAPFNV-QWRGUYRKSA-N 1 2 263.366 1.359 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cncs2)[C@@H]1C ZINC000993101446 753165357 /nfs/dbraw/zinc/16/53/57/753165357.db2.gz BDWBJPLPCAPFNV-QWRGUYRKSA-N 1 2 263.366 1.359 20 30 CDEDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2ccc(C#N)cc2C)C1 ZINC000805476387 753223554 /nfs/dbraw/zinc/22/35/54/753223554.db2.gz NWCYTQSSYDQRSF-HNNXBMFYSA-N 1 2 288.347 1.631 20 30 CDEDLO CC[N@H+]1CCO[C@H](C(=O)OCc2ccc(C#N)cc2C)C1 ZINC000805476387 753223563 /nfs/dbraw/zinc/22/35/63/753223563.db2.gz NWCYTQSSYDQRSF-HNNXBMFYSA-N 1 2 288.347 1.631 20 30 CDEDLO O=C(C#CC1CC1)N1CCC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000999125615 753238388 /nfs/dbraw/zinc/23/83/88/753238388.db2.gz APMYXCPKHOGZAK-GFCCVEGCSA-N 1 2 290.392 1.032 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(CC)ccn2)C1 ZINC001035385868 753240647 /nfs/dbraw/zinc/24/06/47/753240647.db2.gz VWGUYMPVIASUHD-AWEZNQCLSA-N 1 2 289.379 1.261 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(CC)ccn2)C1 ZINC001035385868 753240663 /nfs/dbraw/zinc/24/06/63/753240663.db2.gz VWGUYMPVIASUHD-AWEZNQCLSA-N 1 2 289.379 1.261 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccoc2C2CC2)C1 ZINC001030850838 753264520 /nfs/dbraw/zinc/26/45/20/753264520.db2.gz JYLLQSLTJBSMTM-UHFFFAOYSA-N 1 2 258.321 1.594 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCCCO3)cc2C1 ZINC001054261356 753265420 /nfs/dbraw/zinc/26/54/20/753265420.db2.gz ZOPOKZVILXKYJA-QGZVFWFLSA-N 1 2 298.386 1.821 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCCCO3)cc2C1 ZINC001054261356 753265426 /nfs/dbraw/zinc/26/54/26/753265426.db2.gz ZOPOKZVILXKYJA-QGZVFWFLSA-N 1 2 298.386 1.821 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(OC)c(C)c1 ZINC001038811769 753286326 /nfs/dbraw/zinc/28/63/26/753286326.db2.gz QGMDHYBMPXLNMJ-AWEZNQCLSA-N 1 2 272.348 1.441 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OC)c(C)c1 ZINC001038811769 753286329 /nfs/dbraw/zinc/28/63/29/753286329.db2.gz QGMDHYBMPXLNMJ-AWEZNQCLSA-N 1 2 272.348 1.441 20 30 CDEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCOC[C@H]2CC(F)F)CCC1 ZINC000886202692 753308345 /nfs/dbraw/zinc/30/83/45/753308345.db2.gz BXPVZWZEVQGQDU-VXGBXAGGSA-N 1 2 288.338 1.787 20 30 CDEDLO N#CC1(C[C@@H](O)C[N@H+]2CCOC[C@H]2CC(F)F)CCC1 ZINC000886202692 753308350 /nfs/dbraw/zinc/30/83/50/753308350.db2.gz BXPVZWZEVQGQDU-VXGBXAGGSA-N 1 2 288.338 1.787 20 30 CDEDLO C=CCCc1ccc(S(=O)(=O)NCC[NH+]2CCC2)cc1 ZINC000882011399 753346870 /nfs/dbraw/zinc/34/68/70/753346870.db2.gz VIAOVRITFPMGIM-UHFFFAOYSA-N 1 2 294.420 1.789 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C(C)C)nn2CC)C1 ZINC001030605003 753354526 /nfs/dbraw/zinc/35/45/26/753354526.db2.gz CETNCXAHBXGWRZ-UHFFFAOYSA-N 1 2 288.395 1.464 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2cccc3cnccc32)C1 ZINC001030530639 753443304 /nfs/dbraw/zinc/44/33/04/753443304.db2.gz XMBWPHVEFSNQPN-UHFFFAOYSA-N 1 2 293.370 1.601 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2cncc3ccccc32)C1 ZINC001030468818 753555790 /nfs/dbraw/zinc/55/57/90/753555790.db2.gz KUJRHNTZNJCCKU-UHFFFAOYSA-N 1 2 293.370 1.601 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2Cc3cccc(C)c3O2)C1 ZINC001031495232 753559577 /nfs/dbraw/zinc/55/95/77/753559577.db2.gz FPAJHDWYCCDEAO-HNNXBMFYSA-N 1 2 286.375 1.675 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)nc(OC)c1 ZINC001038652218 753652205 /nfs/dbraw/zinc/65/22/05/753652205.db2.gz ODEYJNPTCYPZAR-AWEZNQCLSA-N 1 2 287.363 1.226 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)nc(OC)c1 ZINC001038652218 753652216 /nfs/dbraw/zinc/65/22/16/753652216.db2.gz ODEYJNPTCYPZAR-AWEZNQCLSA-N 1 2 287.363 1.226 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C)n2cncn2)C1 ZINC001007155642 753662969 /nfs/dbraw/zinc/66/29/69/753662969.db2.gz KHFSRWXWZCWVPR-NEPJUHHUSA-N 1 2 297.790 1.172 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)n2cncn2)C1 ZINC001007155642 753662975 /nfs/dbraw/zinc/66/29/75/753662975.db2.gz KHFSRWXWZCWVPR-NEPJUHHUSA-N 1 2 297.790 1.172 20 30 CDEDLO C=C1CCC(C(=O)NC2C[NH+]([C@@H](C)COC)C2)CC1 ZINC001030903655 753740232 /nfs/dbraw/zinc/74/02/32/753740232.db2.gz PWRCULBZJHTQQD-LBPRGKRZSA-N 1 2 266.385 1.568 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3CCC3)C[C@H]21 ZINC001074133137 753743298 /nfs/dbraw/zinc/74/32/98/753743298.db2.gz GPYDZBKOZPCSHP-CABCVRRESA-N 1 2 276.380 1.112 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CCC3)C[C@H]21 ZINC001074133137 753743315 /nfs/dbraw/zinc/74/33/15/753743315.db2.gz GPYDZBKOZPCSHP-CABCVRRESA-N 1 2 276.380 1.112 20 30 CDEDLO C#CCCCCCC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000780477669 753752641 /nfs/dbraw/zinc/75/26/41/753752641.db2.gz DMGZZLJIQFPMCU-UHFFFAOYSA-N 1 2 280.412 1.797 20 30 CDEDLO C#CCCCCCC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000780477669 753752643 /nfs/dbraw/zinc/75/26/43/753752643.db2.gz DMGZZLJIQFPMCU-UHFFFAOYSA-N 1 2 280.412 1.797 20 30 CDEDLO COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000823535186 753802772 /nfs/dbraw/zinc/80/27/72/753802772.db2.gz BPOYSFXGGKPJFC-KBPBESRZSA-N 1 2 294.395 1.577 20 30 CDEDLO COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000823535186 753802773 /nfs/dbraw/zinc/80/27/73/753802773.db2.gz BPOYSFXGGKPJFC-KBPBESRZSA-N 1 2 294.395 1.577 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1oc(CC)nc1C ZINC001038891799 753803651 /nfs/dbraw/zinc/80/36/51/753803651.db2.gz UGHYDQZOFWEEHS-GFCCVEGCSA-N 1 2 275.352 1.373 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1oc(CC)nc1C ZINC001038891799 753803657 /nfs/dbraw/zinc/80/36/57/753803657.db2.gz UGHYDQZOFWEEHS-GFCCVEGCSA-N 1 2 275.352 1.373 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2cnoc2)CC[C@@H]1C ZINC001071759440 753824972 /nfs/dbraw/zinc/82/49/72/753824972.db2.gz HNDUYGFIGCWHKS-AAEUAGOBSA-N 1 2 297.786 1.939 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2cnoc2)CC[C@@H]1C ZINC001071759440 753824973 /nfs/dbraw/zinc/82/49/73/753824973.db2.gz HNDUYGFIGCWHKS-AAEUAGOBSA-N 1 2 297.786 1.939 20 30 CDEDLO Cc1cc(C)c(C#N)c(N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)n1 ZINC001646639377 1168010539 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C#Cc1cccc(NC(=O)C[N@H+](C)CCCC#N)c1 ZINC000052130893 897213418 /nfs/dbraw/zinc/21/34/18/897213418.db2.gz DEOVSIDPMXOYRE-UHFFFAOYSA-N 1 2 255.321 1.842 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCCC#N)c1 ZINC000052130893 897213431 /nfs/dbraw/zinc/21/34/31/897213431.db2.gz DEOVSIDPMXOYRE-UHFFFAOYSA-N 1 2 255.321 1.842 20 30 CDEDLO Cc1nc(N2CCC[C@H](NC(=O)[C@@H](C)C#N)CC2)cc[nH+]1 ZINC001111980155 898619349 /nfs/dbraw/zinc/61/93/49/898619349.db2.gz SQGHZPBKZBYTJK-AAEUAGOBSA-N 1 2 287.367 1.420 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cccn2)cc1 ZINC001038348747 899356758 /nfs/dbraw/zinc/35/67/58/899356758.db2.gz CTYJJMRQVLWIEH-MRXNPFEDSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cccn2)cc1 ZINC001038348747 899356773 /nfs/dbraw/zinc/35/67/73/899356773.db2.gz CTYJJMRQVLWIEH-MRXNPFEDSA-N 1 2 294.358 1.310 20 30 CDEDLO CC(C)c1noc([C@@H](C)[NH2+]CCN(C)C(=O)[C@H](C)C#N)n1 ZINC001481215938 899402204 /nfs/dbraw/zinc/40/22/04/899402204.db2.gz PRHJLZJBCHNJCS-GHMZBOCLSA-N 1 2 293.371 1.462 20 30 CDEDLO C=CCOCC(=O)NC[C@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC001105136502 899930583 /nfs/dbraw/zinc/93/05/83/899930583.db2.gz VRMXDZOTVAZBTQ-ZDUSSCGKSA-N 1 2 292.383 1.540 20 30 CDEDLO O=C(NCCCS)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176973615 914410032 /nfs/dbraw/zinc/41/00/32/914410032.db2.gz LSLWQHLYFSBFES-GFCCVEGCSA-N 1 2 279.409 1.734 20 30 CDEDLO CN(CC(=O)N1CCC[C@H](C#N)C1)c1cccc[nH+]1 ZINC001177410213 914667128 /nfs/dbraw/zinc/66/71/28/914667128.db2.gz HIOLYRVNOWFZCO-GFCCVEGCSA-N 1 2 258.325 1.280 20 30 CDEDLO C=CCS(=O)(=O)Nc1cc(C)[nH+]c2ccccc12 ZINC000711064050 903682931 /nfs/dbraw/zinc/68/29/31/903682931.db2.gz HCYCDMGJPVXNFY-UHFFFAOYSA-N 1 2 262.334 1.893 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](C)C2CC2)C1 ZINC001567826497 1168999482 /nfs/dbraw/zinc/99/94/82/1168999482.db2.gz ZCUXNUPRNANJHZ-JTQLQIEISA-N 1 2 256.777 1.833 20 30 CDEDLO COc1ccc(C#N)c(C(=O)NCCc2cn(C)c[nH+]2)c1 ZINC001189095088 921319916 /nfs/dbraw/zinc/31/99/16/921319916.db2.gz DNBGTUAIPRWNRV-UHFFFAOYSA-N 1 2 284.319 1.273 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@@H]3C[C@@H]3C)CC2)C1 ZINC001093567893 909967147 /nfs/dbraw/zinc/96/71/47/909967147.db2.gz ABYOBJJVVKOXGR-KBPBESRZSA-N 1 2 292.423 1.910 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)sc2C)C1 ZINC001077325164 910270613 /nfs/dbraw/zinc/27/06/13/910270613.db2.gz QHIDVKJAEQXKJD-ZIAGYGMSSA-N 1 2 292.404 1.163 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)sc2C)C1 ZINC001077325164 910270629 /nfs/dbraw/zinc/27/06/29/910270629.db2.gz QHIDVKJAEQXKJD-ZIAGYGMSSA-N 1 2 292.404 1.163 20 30 CDEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C3=CCCC3)nn2)C1 ZINC001094283781 910458309 /nfs/dbraw/zinc/45/83/09/910458309.db2.gz HVNDDDFQGXQOCV-UHFFFAOYSA-N 1 2 287.367 1.047 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccn(C)c(=O)c1 ZINC001409576028 910519508 /nfs/dbraw/zinc/51/95/08/910519508.db2.gz CUICVEYXAVSAFM-NSHDSACASA-N 1 2 297.786 1.188 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccn(C)c(=O)c1 ZINC001409576028 910519521 /nfs/dbraw/zinc/51/95/21/910519521.db2.gz CUICVEYXAVSAFM-NSHDSACASA-N 1 2 297.786 1.188 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc[nH]1 ZINC001483310562 910842615 /nfs/dbraw/zinc/84/26/15/910842615.db2.gz HXGUZHAYYGIEBY-SNVBAGLBSA-N 1 2 255.749 1.817 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc[nH]1 ZINC001483310562 910842626 /nfs/dbraw/zinc/84/26/26/910842626.db2.gz HXGUZHAYYGIEBY-SNVBAGLBSA-N 1 2 255.749 1.817 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1oncc1C ZINC001483402834 911064608 /nfs/dbraw/zinc/06/46/08/911064608.db2.gz UWKDSJSZMBWYBQ-SNVBAGLBSA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1oncc1C ZINC001483402834 911064627 /nfs/dbraw/zinc/06/46/27/911064627.db2.gz UWKDSJSZMBWYBQ-SNVBAGLBSA-N 1 2 271.748 1.786 20 30 CDEDLO N#Cc1cncc(Nc2ccc(C[NH+]3CC(O)C3)cc2)n1 ZINC001212665546 911734420 /nfs/dbraw/zinc/73/44/20/911734420.db2.gz UOZUFQAGGLAEOP-UHFFFAOYSA-N 1 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ZINC001085536285 926124767 /nfs/dbraw/zinc/12/47/67/926124767.db2.gz YVYVPYDUQUIJOA-QQHVMHFCSA-N 1 2 292.770 1.785 20 30 CDEDLO CN(C[C@@H]1CC[N@H+]1C/C=C\Cl)C(=O)c1cc(C#N)c[nH]1 ZINC001085536285 926124772 /nfs/dbraw/zinc/12/47/72/926124772.db2.gz YVYVPYDUQUIJOA-QQHVMHFCSA-N 1 2 292.770 1.785 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(F)cn1 ZINC001085558168 926149508 /nfs/dbraw/zinc/14/95/08/926149508.db2.gz LQSLSRUULXDNPE-CYBMUJFWSA-N 1 2 275.327 1.390 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(F)cn1 ZINC001085558168 926149512 /nfs/dbraw/zinc/14/95/12/926149512.db2.gz LQSLSRUULXDNPE-CYBMUJFWSA-N 1 2 275.327 1.390 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2occc2[nH]1 ZINC001085625322 926224059 /nfs/dbraw/zinc/22/40/59/926224059.db2.gz MUVSQNQFLWWROW-NSHDSACASA-N 1 2 271.320 1.540 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2occc2[nH]1 ZINC001085625322 926224062 /nfs/dbraw/zinc/22/40/62/926224062.db2.gz MUVSQNQFLWWROW-NSHDSACASA-N 1 2 271.320 1.540 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc2oc(=O)[nH]c21 ZINC001085727098 926329902 /nfs/dbraw/zinc/32/99/02/926329902.db2.gz PFMUFDOAYVUCNM-NSHDSACASA-N 1 2 299.330 1.313 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc2oc(=O)[nH]c21 ZINC001085727098 926329912 /nfs/dbraw/zinc/32/99/12/926329912.db2.gz PFMUFDOAYVUCNM-NSHDSACASA-N 1 2 299.330 1.313 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ncc(C)cc1C ZINC001085734756 926337475 /nfs/dbraw/zinc/33/74/75/926337475.db2.gz PGRPZYRLMPYGAY-CQSZACIVSA-N 1 2 271.364 1.478 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncc(C)cc1C ZINC001085734756 926337485 /nfs/dbraw/zinc/33/74/85/926337485.db2.gz PGRPZYRLMPYGAY-CQSZACIVSA-N 1 2 271.364 1.478 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(F)c(F)cc1F ZINC001085790922 926398968 /nfs/dbraw/zinc/39/89/68/926398968.db2.gz WDQHEMKYIJDHPF-JTQLQIEISA-N 1 2 296.292 1.883 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(F)c(F)cc1F ZINC001085790922 926398974 /nfs/dbraw/zinc/39/89/74/926398974.db2.gz WDQHEMKYIJDHPF-JTQLQIEISA-N 1 2 296.292 1.883 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ncoc1C(C)(C)C ZINC001085917304 926503364 /nfs/dbraw/zinc/50/33/64/926503364.db2.gz VYJBMBOXEVOZJA-LBPRGKRZSA-N 1 2 289.379 1.752 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncoc1C(C)(C)C ZINC001085917304 926503373 /nfs/dbraw/zinc/50/33/73/926503373.db2.gz VYJBMBOXEVOZJA-LBPRGKRZSA-N 1 2 289.379 1.752 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)c(CC)o1 ZINC001085921453 926509088 /nfs/dbraw/zinc/50/90/88/926509088.db2.gz CYODWZUTSLFVLF-CYBMUJFWSA-N 1 2 274.364 1.930 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)c(CC)o1 ZINC001085921453 926509097 /nfs/dbraw/zinc/50/90/97/926509097.db2.gz CYODWZUTSLFVLF-CYBMUJFWSA-N 1 2 274.364 1.930 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(NC(C)=O)cc1 ZINC001085942033 926528026 /nfs/dbraw/zinc/52/80/26/926528026.db2.gz WQVJBCPEVBOOOM-MRXNPFEDSA-N 1 2 299.374 1.425 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(NC(C)=O)cc1 ZINC001085942033 926528031 /nfs/dbraw/zinc/52/80/31/926528031.db2.gz WQVJBCPEVBOOOM-MRXNPFEDSA-N 1 2 299.374 1.425 20 30 CDEDLO C#CCCCCC(=O)O[C@@H](COC)C[N@@H+]1CCO[C@@H](C)C1 ZINC000842972846 937098040 /nfs/dbraw/zinc/09/80/40/937098040.db2.gz IFBLQSDLWBARLB-LSDHHAIUSA-N 1 2 297.395 1.459 20 30 CDEDLO C#CCCCCC(=O)O[C@@H](COC)C[N@H+]1CCO[C@@H](C)C1 ZINC000842972846 937098043 /nfs/dbraw/zinc/09/80/43/937098043.db2.gz IFBLQSDLWBARLB-LSDHHAIUSA-N 1 2 297.395 1.459 20 30 CDEDLO Cc1nc(N[C@H]2CC[C@H](NC(=O)[C@H](C)C#N)CC2)cc[nH+]1 ZINC001103632070 937149431 /nfs/dbraw/zinc/14/94/31/937149431.db2.gz RIONJOXXLYKBIN-RAIGVLPGSA-N 1 2 287.367 1.784 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CNC(=O)C1 ZINC000853470813 928022902 /nfs/dbraw/zinc/02/29/02/928022902.db2.gz UFUHVXNBELIXIM-NSHDSACASA-N 1 2 259.309 1.174 20 30 CDEDLO CC(C)N1C(=O)CN(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853525145 928036817 /nfs/dbraw/zinc/03/68/17/928036817.db2.gz TWFPVSXTXLQNCP-GFCCVEGCSA-N 1 2 278.356 1.242 20 30 CDEDLO CC(C)N1C(=O)CN(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853525145 928036829 /nfs/dbraw/zinc/03/68/29/928036829.db2.gz TWFPVSXTXLQNCP-GFCCVEGCSA-N 1 2 278.356 1.242 20 30 CDEDLO COc1ccc(CNc2[nH+]cccc2CC#N)nn1 ZINC001169465719 928094883 /nfs/dbraw/zinc/09/48/83/928094883.db2.gz CZSHXZAHCUXDTB-UHFFFAOYSA-N 1 2 255.281 1.558 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c(OC)c1 ZINC000781575319 937224475 /nfs/dbraw/zinc/22/44/75/937224475.db2.gz OZABKTNXFNMIEK-ZDUSSCGKSA-N 1 2 276.311 1.870 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c(OC)c1 ZINC000781575319 937224477 /nfs/dbraw/zinc/22/44/77/937224477.db2.gz OZABKTNXFNMIEK-ZDUSSCGKSA-N 1 2 276.311 1.870 20 30 CDEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C(CC)CC)CC2=O)C1 ZINC001108511250 928224442 /nfs/dbraw/zinc/22/44/42/928224442.db2.gz OAMJQXSEHFDBGX-ZDUSSCGKSA-N 1 2 293.411 1.010 20 30 CDEDLO C[N@@H+]1CCOC[C@@H]1CNc1cnc2ccc(C#N)cc2n1 ZINC001169653902 928290688 /nfs/dbraw/zinc/29/06/88/928290688.db2.gz USEBFIQGBSJGNO-LBPRGKRZSA-N 1 2 283.335 1.244 20 30 CDEDLO C[N@H+]1CCOC[C@@H]1CNc1cnc2ccc(C#N)cc2n1 ZINC001169653902 928290697 /nfs/dbraw/zinc/29/06/97/928290697.db2.gz USEBFIQGBSJGNO-LBPRGKRZSA-N 1 2 283.335 1.244 20 30 CDEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@H](C)CCC)CC2=O)C1 ZINC001108527334 928342905 /nfs/dbraw/zinc/34/29/05/928342905.db2.gz HMOMZAPJHAKAHY-CHWSQXEVSA-N 1 2 293.411 1.010 20 30 CDEDLO COC(=O)n1ncc(C#N)c1Nc1cc[nH+]c(C)c1F ZINC001169969027 928541109 /nfs/dbraw/zinc/54/11/09/928541109.db2.gz UFBZVAHFEVICBF-UHFFFAOYSA-N 1 2 275.243 1.377 20 30 CDEDLO Cc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C)C#N)C3)o1 ZINC001109088527 928791597 /nfs/dbraw/zinc/79/15/97/928791597.db2.gz NXNWJEZFGLTXGL-RCCPXBDUSA-N 1 2 288.351 1.364 20 30 CDEDLO Cc1ncc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C)C#N)C3)o1 ZINC001109088527 928791604 /nfs/dbraw/zinc/79/16/04/928791604.db2.gz NXNWJEZFGLTXGL-RCCPXBDUSA-N 1 2 288.351 1.364 20 30 CDEDLO CC1(C)CC(N2CC[NH2+]C[C@@H]2C#N)CC(C)(C)N1O ZINC001169992016 928871609 /nfs/dbraw/zinc/87/16/09/928871609.db2.gz HZVQWQIVGAWLCN-LBPRGKRZSA-N 1 2 266.389 1.195 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCCc2ncc(C)o2)CC1 ZINC001112948052 929586599 /nfs/dbraw/zinc/58/65/99/929586599.db2.gz XPAIUERNGJHBSR-UHFFFAOYSA-N 1 2 277.368 1.636 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1c(C)cc(C)cc1C ZINC000884044286 930409408 /nfs/dbraw/zinc/40/94/08/930409408.db2.gz BAPCHMDRNNMXPE-ZDUSSCGKSA-N 1 2 290.363 1.997 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC(C)(C)CCC ZINC000884115587 930448541 /nfs/dbraw/zinc/44/85/41/930448541.db2.gz WWMJEKIZRBMYCG-JTQLQIEISA-N 1 2 256.346 1.128 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@H+](Cc3nnc[nH]3)CC2)C1=O ZINC001274354919 931492886 /nfs/dbraw/zinc/49/28/86/931492886.db2.gz YCGLRBKAGADPOF-OAHLLOKOSA-N 1 2 289.383 1.195 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@@H+](Cc3nnc[nH]3)CC2)C1=O ZINC001274354919 931492888 /nfs/dbraw/zinc/49/28/88/931492888.db2.gz YCGLRBKAGADPOF-OAHLLOKOSA-N 1 2 289.383 1.195 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(OC)c(F)c2F)CC1 ZINC001143914867 931586978 /nfs/dbraw/zinc/58/69/78/931586978.db2.gz KBVDNNKUVXCMBV-UHFFFAOYSA-N 1 2 280.318 1.724 20 30 CDEDLO N#Cc1ccc(CN2CC3(CC[N@@H+]3Cc3ccc[nH]3)C2)nc1 ZINC001275032396 931637937 /nfs/dbraw/zinc/63/79/37/931637937.db2.gz ORQCHGLFKCIADJ-UHFFFAOYSA-N 1 2 293.374 1.742 20 30 CDEDLO N#Cc1ccc(CN2CC3(CC[N@H+]3Cc3ccc[nH]3)C2)nc1 ZINC001275032396 931637939 /nfs/dbraw/zinc/63/79/39/931637939.db2.gz ORQCHGLFKCIADJ-UHFFFAOYSA-N 1 2 293.374 1.742 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3cccnc3)CC2)nc1 ZINC001144153778 931673436 /nfs/dbraw/zinc/67/34/36/931673436.db2.gz OWMABBYGJZVDCN-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO C[N@@H+]1CCC12CN(C(=O)c1c(F)cc(C#N)cc1Cl)C2 ZINC001275314445 931732294 /nfs/dbraw/zinc/73/22/94/931732294.db2.gz LFZOMQFNUMQEFO-UHFFFAOYSA-N 1 2 293.729 1.881 20 30 CDEDLO C[N@H+]1CCC12CN(C(=O)c1c(F)cc(C#N)cc1Cl)C2 ZINC001275314445 931732298 /nfs/dbraw/zinc/73/22/98/931732298.db2.gz LFZOMQFNUMQEFO-UHFFFAOYSA-N 1 2 293.729 1.881 20 30 CDEDLO NC(=O)c1ccc(C(=[NH2+])Nc2ccnc3ncccc23)cc1 ZINC001171258924 932172380 /nfs/dbraw/zinc/17/23/80/932172380.db2.gz PYBNBSOKYYZLBL-UHFFFAOYSA-N 1 2 291.314 1.766 20 30 CDEDLO Cc1cc2cc(N[C@@H]3C(=O)N(O)C[C@@H]3C)[nH+]cc2[nH]1 ZINC001171362316 932865400 /nfs/dbraw/zinc/86/54/00/932865400.db2.gz BKTSSRIIEJYWGM-MADCSZMMSA-N 1 2 260.297 1.519 20 30 CDEDLO Cc1[nH+]cc(C=NN2C(=S)N=NC2[C@@H]2CCCO2)n1C ZINC001118524211 937636491 /nfs/dbraw/zinc/63/64/91/937636491.db2.gz XQRWPEHCEVZZBV-JTQLQIEISA-N 1 2 292.368 1.342 20 30 CDEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001171366045 932876171 /nfs/dbraw/zinc/87/61/71/932876171.db2.gz RBANPXROQUXTDY-FZMZJTMJSA-N 1 2 286.335 1.579 20 30 CDEDLO COCC#CC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC001118570409 937641925 /nfs/dbraw/zinc/64/19/25/937641925.db2.gz JJLOTXOLIHHHKW-UHFFFAOYSA-N 1 2 299.330 1.550 20 30 CDEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)C)c1nccn12 ZINC001092349737 932936714 /nfs/dbraw/zinc/93/67/14/932936714.db2.gz LFZRTHNVHYMJFL-CYBMUJFWSA-N 1 2 286.379 1.134 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C(=O)OC)[C@H](C)CC)C1=O ZINC000930311092 933356815 /nfs/dbraw/zinc/35/68/15/933356815.db2.gz YXXDOMIRXNEIKZ-AGIUHOORSA-N 1 2 282.384 1.293 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C(=O)OC)[C@H](C)CC)C1=O ZINC000930311092 933356828 /nfs/dbraw/zinc/35/68/28/933356828.db2.gz YXXDOMIRXNEIKZ-AGIUHOORSA-N 1 2 282.384 1.293 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(F)(F)CC1 ZINC000796539171 935339244 /nfs/dbraw/zinc/33/92/44/935339244.db2.gz KOLVFUJBJYHPBM-LBPRGKRZSA-N 1 2 273.327 1.772 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2nccs2)C1 ZINC001008970632 935416537 /nfs/dbraw/zinc/41/65/37/935416537.db2.gz FWZXLHOFOYMFNE-LLVKDONJSA-N 1 2 263.366 1.361 20 30 CDEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2nccs2)C1 ZINC001008970632 935416540 /nfs/dbraw/zinc/41/65/40/935416540.db2.gz FWZXLHOFOYMFNE-LLVKDONJSA-N 1 2 263.366 1.361 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)ccc1OC ZINC001038562084 935748953 /nfs/dbraw/zinc/74/89/53/935748953.db2.gz BVQHMGHLZOWAGI-GFCCVEGCSA-N 1 2 276.311 1.272 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)ccc1OC ZINC001038562084 935748955 /nfs/dbraw/zinc/74/89/55/935748955.db2.gz BVQHMGHLZOWAGI-GFCCVEGCSA-N 1 2 276.311 1.272 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)ccc1C ZINC001038965378 935764144 /nfs/dbraw/zinc/76/41/44/935764144.db2.gz YTRRQGNZNYGQAR-CQSZACIVSA-N 1 2 256.349 1.741 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)ccc1C ZINC001038965378 935764147 /nfs/dbraw/zinc/76/41/47/935764147.db2.gz YTRRQGNZNYGQAR-CQSZACIVSA-N 1 2 256.349 1.741 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccccc2C)C1 ZINC001042427984 935820455 /nfs/dbraw/zinc/82/04/55/935820455.db2.gz AENATVBGWVUWDP-UHFFFAOYSA-N 1 2 256.349 1.775 20 30 CDEDLO C#CC[N@H+]1CC[C@](C)(NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001046439954 935952240 /nfs/dbraw/zinc/95/22/40/935952240.db2.gz DVQBAHITRULOBI-INIZCTEOSA-N 1 2 286.379 1.116 20 30 CDEDLO C#CC[N@@H+]1CC[C@](C)(NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001046439954 935952241 /nfs/dbraw/zinc/95/22/41/935952241.db2.gz DVQBAHITRULOBI-INIZCTEOSA-N 1 2 286.379 1.116 20 30 CDEDLO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@H+](C/C=C/Cl)C[C@@H]2O)C1 ZINC001047519737 936007790 /nfs/dbraw/zinc/00/77/90/936007790.db2.gz OHCBGWQMPZLKEE-WWKJKZQJSA-N 1 2 298.814 1.599 20 30 CDEDLO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2O)C1 ZINC001047519737 936007793 /nfs/dbraw/zinc/00/77/93/936007793.db2.gz OHCBGWQMPZLKEE-WWKJKZQJSA-N 1 2 298.814 1.599 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001096933080 936240634 /nfs/dbraw/zinc/24/06/34/936240634.db2.gz YNYCPEPHAPOARY-SWLSCSKDSA-N 1 2 290.367 1.125 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122456444 937933098 /nfs/dbraw/zinc/93/30/98/937933098.db2.gz BPOSHWYEDLAFRV-IUODEOHRSA-N 1 2 292.383 1.276 20 30 CDEDLO N#Cc1cc(C(F)(F)N2CC[NH2+]C[C@@H]2C#N)cc(Cl)n1 ZINC001156319893 938351609 /nfs/dbraw/zinc/35/16/09/938351609.db2.gz IKTAWFWWHCUXMM-JTQLQIEISA-N 1 2 297.696 1.453 20 30 CDEDLO Cc1c(Cl)cnc(Cl)c1N1CC[NH2+]C[C@@H]1C#N ZINC001156327521 938352415 /nfs/dbraw/zinc/35/24/15/938352415.db2.gz CPBOFCRFCLOTSC-QMMMGPOBSA-N 1 2 271.151 1.999 20 30 CDEDLO COc1cc2nc(N3CC[NH2+]C[C@@H]3C#N)ccc2c(OC)c1 ZINC001156332296 938353037 /nfs/dbraw/zinc/35/30/37/938353037.db2.gz IGAFZRKNVUTLCY-NSHDSACASA-N 1 2 298.346 1.554 20 30 CDEDLO C=C(C)C[NH2+]CCCNC(=O)C(F)C(F)(F)F ZINC001158471987 938628066 /nfs/dbraw/zinc/62/80/66/938628066.db2.gz QSRWGLQVPHSFEC-MRVPVSSYSA-N 1 2 256.243 1.559 20 30 CDEDLO C=C(C)C[NH2+]CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001158471987 938628067 /nfs/dbraw/zinc/62/80/67/938628067.db2.gz QSRWGLQVPHSFEC-MRVPVSSYSA-N 1 2 256.243 1.559 20 30 CDEDLO N#Cc1nccnc1N[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC001160720373 938818914 /nfs/dbraw/zinc/81/89/14/938818914.db2.gz OQWMXEYFMKXUMX-AAEUAGOBSA-N 1 2 273.340 1.013 20 30 CDEDLO N#Cc1cc(Cl)cc(N2CC[NH2+]CC(F)(F)C2)n1 ZINC001164493466 939479054 /nfs/dbraw/zinc/47/90/54/939479054.db2.gz YEZBYIDXRCQFIO-UHFFFAOYSA-N 1 2 272.686 1.652 20 30 CDEDLO N#CC[C@@H]1CCCN(c2ccc(Cn3cncn3)c[nH+]2)C1 ZINC001166741680 939634481 /nfs/dbraw/zinc/63/44/81/939634481.db2.gz RGRRDJDVOPOUQP-ZDUSSCGKSA-N 1 2 282.351 1.851 20 30 CDEDLO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccc(C#N)cc1 ZINC001203901526 939712328 /nfs/dbraw/zinc/71/23/28/939712328.db2.gz OXHINJKMKJDLMJ-XYPWUTKMSA-N 1 2 272.348 1.936 20 30 CDEDLO COC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccc(C#N)cc1 ZINC001203901526 939712329 /nfs/dbraw/zinc/71/23/29/939712329.db2.gz OXHINJKMKJDLMJ-XYPWUTKMSA-N 1 2 272.348 1.936 20 30 CDEDLO N#Cc1ccccc1CN1CC([N@@H+]2CC[C@H](F)C2)C1 ZINC001204371109 939760892 /nfs/dbraw/zinc/76/08/92/939760892.db2.gz CTKVWMSCEINMQB-AWEZNQCLSA-N 1 2 259.328 1.786 20 30 CDEDLO N#Cc1ccccc1CN1CC([N@H+]2CC[C@H](F)C2)C1 ZINC001204371109 939760894 /nfs/dbraw/zinc/76/08/94/939760894.db2.gz CTKVWMSCEINMQB-AWEZNQCLSA-N 1 2 259.328 1.786 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nncn2C)C[C@H]1C ZINC001206536941 940056925 /nfs/dbraw/zinc/05/69/25/940056925.db2.gz FYROJHOJOQDRKT-JHJVBQTASA-N 1 2 291.399 1.279 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nncn2C)C[C@H]1C ZINC001206536941 940056928 /nfs/dbraw/zinc/05/69/28/940056928.db2.gz FYROJHOJOQDRKT-JHJVBQTASA-N 1 2 291.399 1.279 20 30 CDEDLO Cc1conc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC2CC2)C1 ZINC001206951904 940116822 /nfs/dbraw/zinc/11/68/22/940116822.db2.gz NYUXECMXQIDTBT-BXUZGUMPSA-N 1 2 287.363 1.333 20 30 CDEDLO Cc1conc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C#CC2CC2)C1 ZINC001206951904 940116824 /nfs/dbraw/zinc/11/68/24/940116824.db2.gz NYUXECMXQIDTBT-BXUZGUMPSA-N 1 2 287.363 1.333 20 30 CDEDLO C=C(C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001208255050 940311884 /nfs/dbraw/zinc/31/18/84/940311884.db2.gz BSFQCUZGWWPLFT-GFCCVEGCSA-N 1 2 294.424 1.975 20 30 CDEDLO C#CCCC[N@H+]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001209266072 940454863 /nfs/dbraw/zinc/45/48/63/940454863.db2.gz FTMAVFXGICXFAN-UHFFFAOYSA-N 1 2 266.341 1.479 20 30 CDEDLO C#CCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001209266072 940454865 /nfs/dbraw/zinc/45/48/65/940454865.db2.gz FTMAVFXGICXFAN-UHFFFAOYSA-N 1 2 266.341 1.479 20 30 CDEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1cnccn1)CC2 ZINC001209783448 940641863 /nfs/dbraw/zinc/64/18/63/940641863.db2.gz RPLSOADULLIKQY-UHFFFAOYSA-N 1 2 250.305 1.907 20 30 CDEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1cnccn1)CC2 ZINC001209783448 940641866 /nfs/dbraw/zinc/64/18/66/940641866.db2.gz RPLSOADULLIKQY-UHFFFAOYSA-N 1 2 250.305 1.907 20 30 CDEDLO COc1ccc(OC)c(/C(=N/O)O[C@H]2CCC[N@H+](C)C2)c1 ZINC001223892516 941704940 /nfs/dbraw/zinc/70/49/40/941704940.db2.gz JOQDQZMUXAKJCL-SUQMRRJOSA-N 1 2 294.351 1.950 20 30 CDEDLO COc1ccc(OC)c(/C(=N/O)O[C@H]2CCC[N@@H+](C)C2)c1 ZINC001223892516 941704942 /nfs/dbraw/zinc/70/49/42/941704942.db2.gz JOQDQZMUXAKJCL-SUQMRRJOSA-N 1 2 294.351 1.950 20 30 CDEDLO Cc1cc(C#N)c(O[C@H](C)C[NH+]2CCOCC2)nc1C ZINC001225529109 941875391 /nfs/dbraw/zinc/87/53/91/941875391.db2.gz LFLCDMPZEADEKU-GFCCVEGCSA-N 1 2 275.352 1.670 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2cccc(/C=N/O)c2)C1 ZINC001226114832 941952513 /nfs/dbraw/zinc/95/25/13/941952513.db2.gz RGPIMKRNUBHLHT-SJWLEHQBSA-N 1 2 250.298 1.204 20 30 CDEDLO C=CCCC(=O)NC1CC[NH+]([C@H](C)c2nnc(C)o2)CC1 ZINC001226518689 942018866 /nfs/dbraw/zinc/01/88/66/942018866.db2.gz LHVKCAILBSRYFS-LLVKDONJSA-N 1 2 292.383 1.986 20 30 CDEDLO C[C@@H](C#N)C(=O)NC1CC[NH+](Cc2nccs2)CC1 ZINC001226618061 942036729 /nfs/dbraw/zinc/03/67/29/942036729.db2.gz WPTUGBKEUOYDMZ-JTQLQIEISA-N 1 2 278.381 1.383 20 30 CDEDLO Cc1cc(OC[C@H]2C[N@H+](C)CCO2)c(C)cc1C#N ZINC001228147302 942276230 /nfs/dbraw/zinc/27/62/30/942276230.db2.gz LZLYIFTVOSUOKW-CQSZACIVSA-N 1 2 260.337 1.885 20 30 CDEDLO Cc1cc(OC[C@H]2C[N@@H+](C)CCO2)c(C)cc1C#N ZINC001228147302 942276234 /nfs/dbraw/zinc/27/62/34/942276234.db2.gz LZLYIFTVOSUOKW-CQSZACIVSA-N 1 2 260.337 1.885 20 30 CDEDLO C[N+](C)(C)C[C@@H](CC#N)Oc1nc(-c2cccnc2)n[nH]1 ZINC001228695290 942359522 /nfs/dbraw/zinc/35/95/22/942359522.db2.gz MCORAOGJIFOEGR-GFCCVEGCSA-N 1 2 287.347 1.234 20 30 CDEDLO Cc1nnc(OC2C[NH+](C(C)(C)C)C2)c(C#N)c1C ZINC001229446151 942475121 /nfs/dbraw/zinc/47/51/21/942475121.db2.gz ICZPZVSKGJAJNE-UHFFFAOYSA-N 1 2 260.341 1.827 20 30 CDEDLO CCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001230548799 942638201 /nfs/dbraw/zinc/63/82/01/942638201.db2.gz WHPIMFNPZIUBDE-INIZCTEOSA-N 1 2 270.376 1.981 20 30 CDEDLO CCC(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001230548799 942638203 /nfs/dbraw/zinc/63/82/03/942638203.db2.gz WHPIMFNPZIUBDE-INIZCTEOSA-N 1 2 270.376 1.981 20 30 CDEDLO CN(C[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1)C(=O)C(F)F ZINC001230573820 942646425 /nfs/dbraw/zinc/64/64/25/942646425.db2.gz AMFFCLNUBQHZEV-ZDUSSCGKSA-N 1 2 293.317 1.856 20 30 CDEDLO CN(C[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1)C(=O)C(F)F ZINC001230573820 942646431 /nfs/dbraw/zinc/64/64/31/942646431.db2.gz AMFFCLNUBQHZEV-ZDUSSCGKSA-N 1 2 293.317 1.856 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ncccc2C(F)(F)F)CC1 ZINC001231964228 943072005 /nfs/dbraw/zinc/07/20/05/943072005.db2.gz QHXZOKGFPXJQDD-UHFFFAOYSA-N 1 2 283.297 1.851 20 30 CDEDLO C[N@H+](C1COC1)C1CN(Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232114945 943143138 /nfs/dbraw/zinc/14/31/38/943143138.db2.gz ADSUGVGFUKEFGV-UHFFFAOYSA-N 1 2 291.782 1.726 20 30 CDEDLO C[N@@H+](C1COC1)C1CN(Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232114945 943143141 /nfs/dbraw/zinc/14/31/41/943143141.db2.gz ADSUGVGFUKEFGV-UHFFFAOYSA-N 1 2 291.782 1.726 20 30 CDEDLO CC(=O)N1CC[N@H+](Cc2cc(C#N)ccc2O)[C@@H](C)C1 ZINC001232678550 943358587 /nfs/dbraw/zinc/35/85/87/943358587.db2.gz IKDOLOVSLZOCQO-NSHDSACASA-N 1 2 273.336 1.316 20 30 CDEDLO CC(=O)N1CC[N@@H+](Cc2cc(C#N)ccc2O)[C@@H](C)C1 ZINC001232678550 943358592 /nfs/dbraw/zinc/35/85/92/943358592.db2.gz IKDOLOVSLZOCQO-NSHDSACASA-N 1 2 273.336 1.316 20 30 CDEDLO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1cc(C#N)ccc1O ZINC001232678430 943360646 /nfs/dbraw/zinc/36/06/46/943360646.db2.gz YYIPFRMOLJLHIN-AWEZNQCLSA-N 1 2 276.336 1.893 20 30 CDEDLO COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1cc(C#N)ccc1O ZINC001232678430 943360649 /nfs/dbraw/zinc/36/06/49/943360649.db2.gz YYIPFRMOLJLHIN-AWEZNQCLSA-N 1 2 276.336 1.893 20 30 CDEDLO COC(=O)CC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001232844172 943417112 /nfs/dbraw/zinc/41/71/12/943417112.db2.gz RGMMYEHETLUQAZ-UHFFFAOYSA-N 1 2 250.323 1.615 20 30 CDEDLO CN(C)c1ccc(C[NH+]2CC3(C2)CCOC3)c(F)c1C#N ZINC001233095776 943489636 /nfs/dbraw/zinc/48/96/36/943489636.db2.gz APSFFTLIBRJJDG-UHFFFAOYSA-N 1 2 289.354 1.986 20 30 CDEDLO N#Cc1ccc(C[NH+]2CC(N3CC(F)C3)C2)c(O)c1 ZINC001233383253 943570367 /nfs/dbraw/zinc/57/03/67/943570367.db2.gz BUNCOFXTIFXALO-UHFFFAOYSA-N 1 2 261.300 1.102 20 30 CDEDLO CN(C[C@@H]1CC[N@@H+]1C/C=C/Cl)C(=O)C#CC1CC1 ZINC001234197004 943773692 /nfs/dbraw/zinc/77/36/92/943773692.db2.gz XOHABEBOMQFGTN-IADWALHJSA-N 1 2 266.772 1.685 20 30 CDEDLO CN(C[C@@H]1CC[N@H+]1C/C=C/Cl)C(=O)C#CC1CC1 ZINC001234197004 943773694 /nfs/dbraw/zinc/77/36/94/943773694.db2.gz XOHABEBOMQFGTN-IADWALHJSA-N 1 2 266.772 1.685 20 30 CDEDLO C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001234425144 943833590 /nfs/dbraw/zinc/83/35/90/943833590.db2.gz MJSCFQJXSUTCOT-NXEZZACHSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001234425144 943833604 /nfs/dbraw/zinc/83/36/04/943833604.db2.gz MJSCFQJXSUTCOT-NXEZZACHSA-N 1 2 280.265 1.443 20 30 CDEDLO CCc1nccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)n1 ZINC001234699148 943941317 /nfs/dbraw/zinc/94/13/17/943941317.db2.gz YBLBWYKCWRYBBS-OTDFPYDRSA-N 1 2 261.325 1.030 20 30 CDEDLO CCc1nccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)n1 ZINC001234699148 943941325 /nfs/dbraw/zinc/94/13/25/943941325.db2.gz YBLBWYKCWRYBBS-OTDFPYDRSA-N 1 2 261.325 1.030 20 30 CDEDLO CCc1cccc(C[NH+]2CCN(CCC#N)CC2)n1 ZINC001235252670 944104138 /nfs/dbraw/zinc/10/41/38/944104138.db2.gz DDXPNSAPQJOUJM-UHFFFAOYSA-N 1 2 258.369 1.675 20 30 CDEDLO N#CCCC[NH+]1CC2(CCN2C(=O)NCC(F)(F)F)C1 ZINC001277945035 944154415 /nfs/dbraw/zinc/15/44/15/944154415.db2.gz KETMOPNPIAHTEO-UHFFFAOYSA-N 1 2 290.289 1.322 20 30 CDEDLO Cc1ncn(C)c1C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001235535854 944191562 /nfs/dbraw/zinc/19/15/62/944191562.db2.gz CUBIBFIITAGFRR-GFCCVEGCSA-N 1 2 263.366 1.503 20 30 CDEDLO Cc1ncn(C)c1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001235535854 944191565 /nfs/dbraw/zinc/19/15/65/944191565.db2.gz CUBIBFIITAGFRR-GFCCVEGCSA-N 1 2 263.366 1.503 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c(F)cc(C#N)cc2F)CC1 ZINC001235664950 944236495 /nfs/dbraw/zinc/23/64/95/944236495.db2.gz RLJMTKCOCORSPU-UHFFFAOYSA-N 1 2 275.302 1.587 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)Cc2ncn(C)c21 ZINC001237466469 944798450 /nfs/dbraw/zinc/79/84/50/944798450.db2.gz YLDDFGARPJTGLZ-ZDUSSCGKSA-N 1 2 297.362 1.433 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)Cc2ncn(C)c21 ZINC001237466469 944798458 /nfs/dbraw/zinc/79/84/58/944798458.db2.gz YLDDFGARPJTGLZ-ZDUSSCGKSA-N 1 2 297.362 1.433 20 30 CDEDLO COC(=O)[C@H]([NH3+])c1ccc(-c2ccnc(C#N)c2)cc1 ZINC001241196002 946190188 /nfs/dbraw/zinc/19/01/88/946190188.db2.gz OTYKDSYZZBKKEA-CQSZACIVSA-N 1 2 267.288 1.793 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH+]1CCC2(COC(=O)N2)CC1 ZINC001254566633 947528812 /nfs/dbraw/zinc/52/88/12/947528812.db2.gz YCTWYQTZTMRSOT-NSHDSACASA-N 1 2 262.313 1.004 20 30 CDEDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2[C@@H]1CC[C@@H](C#N)C1 ZINC001254671102 947586335 /nfs/dbraw/zinc/58/63/35/947586335.db2.gz OTYFWNWDHRJDII-XGFWRYKXSA-N 1 2 278.352 1.331 20 30 CDEDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@H+]2[C@@H]1CC[C@@H](C#N)C1 ZINC001254671102 947586342 /nfs/dbraw/zinc/58/63/42/947586342.db2.gz OTYFWNWDHRJDII-XGFWRYKXSA-N 1 2 278.352 1.331 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC001255166732 947761943 /nfs/dbraw/zinc/76/19/43/947761943.db2.gz PNLBOKNXZYNTRI-VHSXEESVSA-N 1 2 250.264 1.925 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC001255166732 947761948 /nfs/dbraw/zinc/76/19/48/947761948.db2.gz PNLBOKNXZYNTRI-VHSXEESVSA-N 1 2 250.264 1.925 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001255166700 947762342 /nfs/dbraw/zinc/76/23/42/947762342.db2.gz PCQDIKKNRSOXIF-BBBLOLIVSA-N 1 2 250.264 1.781 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001255166700 947762346 /nfs/dbraw/zinc/76/23/46/947762346.db2.gz PCQDIKKNRSOXIF-BBBLOLIVSA-N 1 2 250.264 1.781 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@H](NC(=O)NC(C)C)C1 ZINC001255177317 947765428 /nfs/dbraw/zinc/76/54/28/947765428.db2.gz PWTSDTSOZAQORX-QWHCGFSZSA-N 1 2 266.389 1.851 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CCC[C@H](NC(=O)NC(C)C)C1 ZINC001255177317 947765437 /nfs/dbraw/zinc/76/54/37/947765437.db2.gz PWTSDTSOZAQORX-QWHCGFSZSA-N 1 2 266.389 1.851 20 30 CDEDLO C=CC[C@H]([NH2+]C1CCN(c2ncccn2)CC1)C(=O)OC ZINC001256050730 948183409 /nfs/dbraw/zinc/18/34/09/948183409.db2.gz RKCIYSOGTRDCOE-ZDUSSCGKSA-N 1 2 290.367 1.153 20 30 CDEDLO CC1(CO)C[NH+](Cc2cnn3ccc(C#N)cc23)C1 ZINC001249082397 949367384 /nfs/dbraw/zinc/36/73/84/949367384.db2.gz QVSANGAZPLZSAT-UHFFFAOYSA-N 1 2 256.309 1.020 20 30 CDEDLO N#Cc1cncc(Nc2cc[nH+]cc2C(F)(F)F)n1 ZINC001249585103 949686857 /nfs/dbraw/zinc/68/68/57/949686857.db2.gz YRDWNRQFEQBOAG-UHFFFAOYSA-N 1 2 265.198 1.928 20 30 CDEDLO CCCCCCCNC(=S)NC[C@H]1C[N@H+](C)CCO1 ZINC001249645497 949726129 /nfs/dbraw/zinc/72/61/29/949726129.db2.gz GWPSLBYAJLZRGO-ZDUSSCGKSA-N 1 2 287.473 1.752 20 30 CDEDLO CCCCCCCNC(=S)NC[C@H]1C[N@@H+](C)CCO1 ZINC001249645497 949726149 /nfs/dbraw/zinc/72/61/49/949726149.db2.gz GWPSLBYAJLZRGO-ZDUSSCGKSA-N 1 2 287.473 1.752 20 30 CDEDLO Cc1cc(-n2nc(N)c3c2cccc3C#N)c[nH+]c1N ZINC001249784244 949791357 /nfs/dbraw/zinc/79/13/57/949791357.db2.gz HPFZGUBOYICIGH-UHFFFAOYSA-N 1 2 264.292 1.765 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1-c1cc(C)ccc1C#N ZINC001249895062 949863328 /nfs/dbraw/zinc/86/33/28/949863328.db2.gz CCHYUQLLBPPCDC-UHFFFAOYSA-N 1 2 270.292 1.811 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(OC)cc2OCC)CC1 ZINC001250063332 949974093 /nfs/dbraw/zinc/97/40/93/949974093.db2.gz VQTQDPIXUJTTNV-UHFFFAOYSA-N 1 2 288.391 1.845 20 30 CDEDLO C#CCN1CC[NH+](Cc2ccc(OC)cc2OCC)CC1 ZINC001250063332 949974104 /nfs/dbraw/zinc/97/41/04/949974104.db2.gz VQTQDPIXUJTTNV-UHFFFAOYSA-N 1 2 288.391 1.845 20 30 CDEDLO C[C@@]1(C#N)CC[N@H+](C[C@@H](O)COc2ccc(F)cc2F)C1 ZINC001250861168 950439756 /nfs/dbraw/zinc/43/97/56/950439756.db2.gz IJLTTWAMUMLAGL-DOMZBBRYSA-N 1 2 296.317 1.940 20 30 CDEDLO C[C@@]1(C#N)CC[N@@H+](C[C@@H](O)COc2ccc(F)cc2F)C1 ZINC001250861168 950439775 /nfs/dbraw/zinc/43/97/75/950439775.db2.gz IJLTTWAMUMLAGL-DOMZBBRYSA-N 1 2 296.317 1.940 20 30 CDEDLO C=C[C@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 ZINC001253577283 951966096 /nfs/dbraw/zinc/96/60/96/951966096.db2.gz STPFCHUPJBRUFH-TUAOUCFPSA-N 1 2 268.357 1.227 20 30 CDEDLO C=C[C@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 ZINC001253577283 951966101 /nfs/dbraw/zinc/96/61/01/951966101.db2.gz STPFCHUPJBRUFH-TUAOUCFPSA-N 1 2 268.357 1.227 20 30 CDEDLO C=CCO[NH+]=Cc1sc(N2CCOCC2)nc1C ZINC001324551337 953436604 /nfs/dbraw/zinc/43/66/04/953436604.db2.gz PCWAJRKSJXDQHE-UHFFFAOYSA-N 1 2 267.354 1.825 20 30 CDEDLO C#CC1CCN(C(=O)C(=O)NCc2c[nH+]c(C)cc2C)CC1 ZINC001326435827 954383430 /nfs/dbraw/zinc/38/34/30/954383430.db2.gz BBXMGGXKCOUWKZ-UHFFFAOYSA-N 1 2 299.374 1.186 20 30 CDEDLO Cc1[nH+]c(C(C)N=Nc2nncc(N)c2Cl)cn1C ZINC001327102035 954706300 /nfs/dbraw/zinc/70/63/00/954706300.db2.gz LZMJNGYMPBYKNP-UHFFFAOYSA-N 1 2 279.735 1.590 20 30 CDEDLO C[N@H+](Cc1cccc(C(N)=O)c1)Cc1cc(C#N)ccn1 ZINC001364625040 954915186 /nfs/dbraw/zinc/91/51/86/954915186.db2.gz YACSETAEOROHSB-UHFFFAOYSA-N 1 2 280.331 1.684 20 30 CDEDLO C[N@@H+](Cc1cccc(C(N)=O)c1)Cc1cc(C#N)ccn1 ZINC001364625040 954915189 /nfs/dbraw/zinc/91/51/89/954915189.db2.gz YACSETAEOROHSB-UHFFFAOYSA-N 1 2 280.331 1.684 20 30 CDEDLO C[C@H]([NH2+]Cc1cc(C#N)ccn1)c1nnc2ccccn21 ZINC001307660906 956429641 /nfs/dbraw/zinc/42/96/41/956429641.db2.gz MBOZZIRCXWXSIX-NSHDSACASA-N 1 2 278.319 1.847 20 30 CDEDLO C=C(CC)C[N@@H+]1C[C@H](O)C[C@H]1c1nnc(CC)[nH]1 ZINC001308162801 956483886 /nfs/dbraw/zinc/48/38/86/956483886.db2.gz ZYJJJWLAIKRONK-MNOVXSKESA-N 1 2 250.346 1.441 20 30 CDEDLO C=C(CC)C[N@H+]1C[C@H](O)C[C@H]1c1nnc(CC)[nH]1 ZINC001308162801 956483894 /nfs/dbraw/zinc/48/38/94/956483894.db2.gz ZYJJJWLAIKRONK-MNOVXSKESA-N 1 2 250.346 1.441 20 30 CDEDLO C=CCN(CC=C)[C@@H](C[NH2+]Cc1cn(C)nn1)C(C)C ZINC001308198409 956493787 /nfs/dbraw/zinc/49/37/87/956493787.db2.gz WUNAEEZSTNQWOT-HNNXBMFYSA-N 1 2 277.416 1.603 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCc1cncnc1 ZINC001424980627 957432884 /nfs/dbraw/zinc/43/28/84/957432884.db2.gz HVIKRCXMMWJQFU-LBPRGKRZSA-N 1 2 296.802 1.598 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCc1cncnc1 ZINC001424980627 957432890 /nfs/dbraw/zinc/43/28/90/957432890.db2.gz HVIKRCXMMWJQFU-LBPRGKRZSA-N 1 2 296.802 1.598 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC#N)cc1 ZINC001333074203 958058836 /nfs/dbraw/zinc/05/88/36/958058836.db2.gz VSUAHRHHERVOGW-HNNXBMFYSA-N 1 2 283.331 1.625 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC#N)cc1 ZINC001333074203 958058853 /nfs/dbraw/zinc/05/88/53/958058853.db2.gz VSUAHRHHERVOGW-HNNXBMFYSA-N 1 2 283.331 1.625 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1[nH]c(=O)[nH]c1C ZINC001367523452 958097851 /nfs/dbraw/zinc/09/78/51/958097851.db2.gz JFOSPQQDQBRREO-UHFFFAOYSA-N 1 2 286.763 1.180 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1[nH]c(=O)[nH]c1C ZINC001367523452 958097866 /nfs/dbraw/zinc/09/78/66/958097866.db2.gz JFOSPQQDQBRREO-UHFFFAOYSA-N 1 2 286.763 1.180 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2nccc(Cl)c2F)CC1 ZINC001320618584 959280378 /nfs/dbraw/zinc/28/03/78/959280378.db2.gz RGQZPHBHJIJWQM-UHFFFAOYSA-N 1 2 295.745 1.655 20 30 CDEDLO CCN(CCC#N)C(=O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC001335490787 959840691 /nfs/dbraw/zinc/84/06/91/959840691.db2.gz MNGFOTJGYZSYRF-UHFFFAOYSA-N 1 2 262.357 1.943 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC2(O)CCC2)C1 ZINC001369818376 959881025 /nfs/dbraw/zinc/88/10/25/959881025.db2.gz NRXQXKIBDSXCJM-GFCCVEGCSA-N 1 2 286.803 1.625 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC2(O)CCC2)C1 ZINC001369818376 959881033 /nfs/dbraw/zinc/88/10/33/959881033.db2.gz NRXQXKIBDSXCJM-GFCCVEGCSA-N 1 2 286.803 1.625 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)C3CCC3)n2C)CC1 ZINC001338105736 961634380 /nfs/dbraw/zinc/63/43/80/961634380.db2.gz VKQFPKXICFDOBX-CYBMUJFWSA-N 1 2 287.411 1.474 20 30 CDEDLO Cc1cc(NC(=O)N2CC[C@@](O)(CC#N)C2)c(C)c[nH+]1 ZINC001434703851 961796831 /nfs/dbraw/zinc/79/68/31/961796831.db2.gz DWSYYTGKGFZPPR-AWEZNQCLSA-N 1 2 274.324 1.003 20 30 CDEDLO Cc1ncoc1C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001420195477 962564379 /nfs/dbraw/zinc/56/43/79/962564379.db2.gz BKGUZHASVGXOFR-UHFFFAOYSA-N 1 2 298.346 1.717 20 30 CDEDLO Cc1ncoc1C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001420195477 962564388 /nfs/dbraw/zinc/56/43/88/962564388.db2.gz BKGUZHASVGXOFR-UHFFFAOYSA-N 1 2 298.346 1.717 20 30 CDEDLO C#CC1CCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2C)CC1 ZINC001341711641 963518900 /nfs/dbraw/zinc/51/89/00/963518900.db2.gz ZUGPDXPRAZDPHQ-CQSZACIVSA-N 1 2 287.411 1.822 20 30 CDEDLO C#CC1CCN(c2nnc([C@H]3CCCC[N@H+]3C)n2C)CC1 ZINC001341711641 963518905 /nfs/dbraw/zinc/51/89/05/963518905.db2.gz ZUGPDXPRAZDPHQ-CQSZACIVSA-N 1 2 287.411 1.822 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@]1(F)CCOC1 ZINC001438903492 963596975 /nfs/dbraw/zinc/59/69/75/963596975.db2.gz RVEYLZLXGMSDLT-GFCCVEGCSA-N 1 2 278.755 1.258 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@]1(F)CCOC1 ZINC001438903492 963596978 /nfs/dbraw/zinc/59/69/78/963596978.db2.gz RVEYLZLXGMSDLT-GFCCVEGCSA-N 1 2 278.755 1.258 20 30 CDEDLO CC(C)[N@@H+]1CCC[C@H]1C(=O)[C@H](C#N)C(=O)N1CCCC1 ZINC001342021063 963611397 /nfs/dbraw/zinc/61/13/97/963611397.db2.gz NLSIRQHRHVEHGT-STQMWFEESA-N 1 2 277.368 1.190 20 30 CDEDLO CC(C)[N@H+]1CCC[C@H]1C(=O)[C@H](C#N)C(=O)N1CCCC1 ZINC001342021063 963611403 /nfs/dbraw/zinc/61/14/03/963611403.db2.gz NLSIRQHRHVEHGT-STQMWFEESA-N 1 2 277.368 1.190 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cn1cc(C)cn1 ZINC001439369721 963740614 /nfs/dbraw/zinc/74/06/14/963740614.db2.gz QLUXRCABDVQCIG-LBPRGKRZSA-N 1 2 284.791 1.381 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cn1cc(C)cn1 ZINC001439369721 963740618 /nfs/dbraw/zinc/74/06/18/963740618.db2.gz QLUXRCABDVQCIG-LBPRGKRZSA-N 1 2 284.791 1.381 20 30 CDEDLO C=C(CC(C)C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001346500786 965144626 /nfs/dbraw/zinc/14/46/26/965144626.db2.gz NWMBVPYSFBPAFI-KGLIPLIRSA-N 1 2 267.417 1.339 20 30 CDEDLO C=C(CC(C)C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001346500786 965144629 /nfs/dbraw/zinc/14/46/29/965144629.db2.gz NWMBVPYSFBPAFI-KGLIPLIRSA-N 1 2 267.417 1.339 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001347018688 965333945 /nfs/dbraw/zinc/33/39/45/965333945.db2.gz OZSGWVCWLQGHMT-DOMZBBRYSA-N 1 2 277.368 1.450 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cncn1C ZINC001448057311 966981016 /nfs/dbraw/zinc/98/10/16/966981016.db2.gz UCQVGUODFOGRGZ-SNVBAGLBSA-N 1 2 270.764 1.223 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cncn1C ZINC001448057311 966981025 /nfs/dbraw/zinc/98/10/25/966981025.db2.gz UCQVGUODFOGRGZ-SNVBAGLBSA-N 1 2 270.764 1.223 20 30 CDEDLO N#CCC[C@H](C#N)C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC001354501059 968745388 /nfs/dbraw/zinc/74/53/88/968745388.db2.gz WBFDAVHWLXLYFF-LLVKDONJSA-N 1 2 262.313 1.004 20 30 CDEDLO C=C(CC)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001520953957 970246427 /nfs/dbraw/zinc/24/64/27/970246427.db2.gz NJIIPSRVDBJMKR-UHFFFAOYSA-N 1 2 278.356 1.120 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C1(COC)CC1 ZINC001418558518 973963526 /nfs/dbraw/zinc/96/35/26/973963526.db2.gz SGDGNNJXJKUBNC-UHFFFAOYSA-N 1 2 274.792 1.604 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C1(COC)CC1 ZINC001418558518 973963534 /nfs/dbraw/zinc/96/35/34/973963534.db2.gz SGDGNNJXJKUBNC-UHFFFAOYSA-N 1 2 274.792 1.604 20 30 CDEDLO CCc1cnc(C[NH2+]C2(CNC(=O)[C@@H](C)C#N)CC2)o1 ZINC001375401190 974368887 /nfs/dbraw/zinc/36/88/87/974368887.db2.gz CJAAHBVXWUNGDN-JTQLQIEISA-N 1 2 276.340 1.135 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C1(F)CCOCC1 ZINC001505933672 975050332 /nfs/dbraw/zinc/05/03/32/975050332.db2.gz OVUHCSWFIPGVPR-NSHDSACASA-N 1 2 292.782 1.694 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C1(F)CCOCC1 ZINC001505933672 975050338 /nfs/dbraw/zinc/05/03/38/975050338.db2.gz OVUHCSWFIPGVPR-NSHDSACASA-N 1 2 292.782 1.694 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCCn1cncn1 ZINC001378170916 975269396 /nfs/dbraw/zinc/26/93/96/975269396.db2.gz INFXIONVPYSFFA-LBPRGKRZSA-N 1 2 299.806 1.247 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCCn1cncn1 ZINC001378170916 975269398 /nfs/dbraw/zinc/26/93/98/975269398.db2.gz INFXIONVPYSFFA-LBPRGKRZSA-N 1 2 299.806 1.247 20 30 CDEDLO C=C(Cl)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)CC)n1 ZINC001397170889 975485444 /nfs/dbraw/zinc/48/54/44/975485444.db2.gz MKDVVNLIXFJGPI-UHFFFAOYSA-N 1 2 284.747 1.051 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cncnc1CC ZINC001492859324 975532151 /nfs/dbraw/zinc/53/21/51/975532151.db2.gz DMSWALAYWAFIOR-UHFFFAOYSA-N 1 2 282.775 1.453 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cncnc1CC ZINC001492859324 975532157 /nfs/dbraw/zinc/53/21/57/975532157.db2.gz DMSWALAYWAFIOR-UHFFFAOYSA-N 1 2 282.775 1.453 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cccc(OC)n1 ZINC001390837190 976548916 /nfs/dbraw/zinc/54/89/16/976548916.db2.gz KLOKTGIIRLMBOJ-UHFFFAOYSA-N 1 2 283.759 1.504 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cccc(OC)n1 ZINC001390837190 976548925 /nfs/dbraw/zinc/54/89/25/976548925.db2.gz KLOKTGIIRLMBOJ-UHFFFAOYSA-N 1 2 283.759 1.504 20 30 CDEDLO C[C@@H](C#N)C(=O)NC1C[NH+](Cc2ccc3ncccc3c2)C1 ZINC001400328214 976988610 /nfs/dbraw/zinc/98/86/10/976988610.db2.gz FEOZBWGHSVTDRF-LBPRGKRZSA-N 1 2 294.358 1.695 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)COC(C)C)C1 ZINC001381771163 977011050 /nfs/dbraw/zinc/01/10/50/977011050.db2.gz LVUJCRDVYVXTKD-NSHDSACASA-N 1 2 274.792 1.600 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1ncc[nH]1 ZINC001403925429 977267531 /nfs/dbraw/zinc/26/75/31/977267531.db2.gz OQJAFPCZLDEWAT-UHFFFAOYSA-N 1 2 270.764 1.143 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1ncc[nH]1 ZINC001403925429 977267536 /nfs/dbraw/zinc/26/75/36/977267536.db2.gz OQJAFPCZLDEWAT-UHFFFAOYSA-N 1 2 270.764 1.143 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1ncc(C)o1 ZINC001404110050 977338429 /nfs/dbraw/zinc/33/84/29/977338429.db2.gz KKHVCDIVAQNNRI-LLVKDONJSA-N 1 2 278.356 1.471 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1ncc(C)o1 ZINC001404110050 977338437 /nfs/dbraw/zinc/33/84/37/977338437.db2.gz KKHVCDIVAQNNRI-LLVKDONJSA-N 1 2 278.356 1.471 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ncccn1)C1CC1 ZINC001404256242 977382156 /nfs/dbraw/zinc/38/21/56/977382156.db2.gz ISIVEKDCXPBJFH-UHFFFAOYSA-N 1 2 280.759 1.423 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ncccn1)C1CC1 ZINC001404256242 977382159 /nfs/dbraw/zinc/38/21/59/977382159.db2.gz ISIVEKDCXPBJFH-UHFFFAOYSA-N 1 2 280.759 1.423 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001132659782 1163428198 /nfs/dbraw/zinc/42/81/98/1163428198.db2.gz DAXPJHJKIDHGFK-LLVKDONJSA-N 1 2 292.383 1.755 20 30 CDEDLO C=CCC1(C(=O)NCC[NH2+]Cc2nc(CC)no2)CCC1 ZINC001133395582 1163671957 /nfs/dbraw/zinc/67/19/57/1163671957.db2.gz QYYGZDSNUMVKDY-UHFFFAOYSA-N 1 2 292.383 1.584 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000589752002 342513376 /nfs/dbraw/zinc/51/33/76/342513376.db2.gz FRTLCOMRFBHHET-GDBMZVCRSA-N 1 2 275.348 1.350 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000589752002 342513377 /nfs/dbraw/zinc/51/33/77/342513377.db2.gz FRTLCOMRFBHHET-GDBMZVCRSA-N 1 2 275.348 1.350 20 30 CDEDLO C=CCCOCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000589954713 342517371 /nfs/dbraw/zinc/51/73/71/342517371.db2.gz FCEGXHCRIADSJZ-LBPRGKRZSA-N 1 2 263.341 1.708 20 30 CDEDLO Cc1ccc(C#N)nc1N(C)CC[NH+]1CCOCC1 ZINC000589112747 342497586 /nfs/dbraw/zinc/49/75/86/342497586.db2.gz ADXPGPOCFMSNJI-UHFFFAOYSA-N 1 2 260.341 1.030 20 30 CDEDLO COCC[N@H+](CCC#N)C[C@H](O)Cc1ccc(F)cc1 ZINC000590162478 342523762 /nfs/dbraw/zinc/52/37/62/342523762.db2.gz NEOOPKOUQQNMMU-OAHLLOKOSA-N 1 2 280.343 1.591 20 30 CDEDLO COCC[N@@H+](CCC#N)C[C@H](O)Cc1ccc(F)cc1 ZINC000590162478 342523763 /nfs/dbraw/zinc/52/37/63/342523763.db2.gz NEOOPKOUQQNMMU-OAHLLOKOSA-N 1 2 280.343 1.591 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CC1(C#N)CCCCC1 ZINC000596806567 398184032 /nfs/dbraw/zinc/18/40/32/398184032.db2.gz UWPNRVNHSIEURB-AWEZNQCLSA-N 1 2 293.411 1.687 20 30 CDEDLO COc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1C#N ZINC000087833105 361752460 /nfs/dbraw/zinc/75/24/60/361752460.db2.gz AWJSFQLTUKIIKB-UHFFFAOYSA-N 1 2 273.336 1.231 20 30 CDEDLO Cn1c(C#N)ccc1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000590625817 342580186 /nfs/dbraw/zinc/58/01/86/342580186.db2.gz OANSWSJZOHKYMV-UHFFFAOYSA-N 1 2 294.358 1.642 20 30 CDEDLO CC[N@@H+]1CCN(S(=O)(=O)CC2(CC#N)CC2)C[C@H]1C ZINC000590750829 342587264 /nfs/dbraw/zinc/58/72/64/342587264.db2.gz FOPOKDJQUYCVRK-GFCCVEGCSA-N 1 2 285.413 1.036 20 30 CDEDLO CC[N@H+]1CCN(S(=O)(=O)CC2(CC#N)CC2)C[C@H]1C ZINC000590750829 342587265 /nfs/dbraw/zinc/58/72/65/342587265.db2.gz FOPOKDJQUYCVRK-GFCCVEGCSA-N 1 2 285.413 1.036 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](CO)CC1 ZINC000293064594 342591245 /nfs/dbraw/zinc/59/12/45/342591245.db2.gz IRZZVAQPJVWDIW-LLVKDONJSA-N 1 2 293.392 1.653 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000293064594 342591246 /nfs/dbraw/zinc/59/12/46/342591246.db2.gz IRZZVAQPJVWDIW-LLVKDONJSA-N 1 2 293.392 1.653 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000047273481 342097848 /nfs/dbraw/zinc/09/78/48/342097848.db2.gz DJOTXWOQANNGBV-LLVKDONJSA-N 1 2 292.339 1.132 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000047273481 342097849 /nfs/dbraw/zinc/09/78/49/342097849.db2.gz DJOTXWOQANNGBV-LLVKDONJSA-N 1 2 292.339 1.132 20 30 CDEDLO N#Cc1cncc(N[C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000591460896 342633591 /nfs/dbraw/zinc/63/35/91/342633591.db2.gz LLZMHKLWPVERRL-NSHDSACASA-N 1 2 266.308 1.434 20 30 CDEDLO CC(C)(C#N)CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611635523 346835746 /nfs/dbraw/zinc/83/57/46/346835746.db2.gz CZJUFSSOAXJNIL-GFCCVEGCSA-N 1 2 275.356 1.779 20 30 CDEDLO CC1CCC(NC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592146510 342673338 /nfs/dbraw/zinc/67/33/38/342673338.db2.gz ITGDXUQYLJCBMU-PIMMBPRGSA-N 1 2 279.384 1.032 20 30 CDEDLO CC1CCC(NC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592146510 342673340 /nfs/dbraw/zinc/67/33/40/342673340.db2.gz ITGDXUQYLJCBMU-PIMMBPRGSA-N 1 2 279.384 1.032 20 30 CDEDLO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147142 342673592 /nfs/dbraw/zinc/67/35/92/342673592.db2.gz MCCICXUIZHENAD-IAQYHMDHSA-N 1 2 299.334 1.543 20 30 CDEDLO C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147142 342673593 /nfs/dbraw/zinc/67/35/93/342673593.db2.gz MCCICXUIZHENAD-IAQYHMDHSA-N 1 2 299.334 1.543 20 30 CDEDLO COC(=O)c1cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)oc1C ZINC000592146932 342673785 /nfs/dbraw/zinc/67/37/85/342673785.db2.gz HBFWDLGTTGHSTM-AWEZNQCLSA-N 1 2 278.308 1.225 20 30 CDEDLO COC(=O)c1cc(C[N@H+]2CC[C@@](O)(CC#N)C2)oc1C ZINC000592146932 342673786 /nfs/dbraw/zinc/67/37/86/342673786.db2.gz HBFWDLGTTGHSTM-AWEZNQCLSA-N 1 2 278.308 1.225 20 30 CDEDLO N#CCCN(C(=O)C[NH+]1CCSCC1)c1ccccc1 ZINC000047988560 342151037 /nfs/dbraw/zinc/15/10/37/342151037.db2.gz MBALPUUJINKPFG-UHFFFAOYSA-N 1 2 289.404 1.982 20 30 CDEDLO CCCC[C@H](C(=O)OC)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150344 342668637 /nfs/dbraw/zinc/66/86/37/342668637.db2.gz DWAGHKDNQPBZMN-YPMHNXCESA-N 1 2 254.330 1.069 20 30 CDEDLO CCCC[C@H](C(=O)OC)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150344 342668638 /nfs/dbraw/zinc/66/86/38/342668638.db2.gz DWAGHKDNQPBZMN-YPMHNXCESA-N 1 2 254.330 1.069 20 30 CDEDLO CCC[C@@H](C(=O)OCC)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150501 342668656 /nfs/dbraw/zinc/66/86/56/342668656.db2.gz FLEQMOXDQXUHCL-AAEUAGOBSA-N 1 2 254.330 1.069 20 30 CDEDLO CCC[C@@H](C(=O)OCC)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150501 342668657 /nfs/dbraw/zinc/66/86/57/342668657.db2.gz FLEQMOXDQXUHCL-AAEUAGOBSA-N 1 2 254.330 1.069 20 30 CDEDLO Cc1ccc(-c2nn(C)cc2C[NH+]2CCN(CC#N)CC2)o1 ZINC000592498801 342705479 /nfs/dbraw/zinc/70/54/79/342705479.db2.gz GVCZJWRFZUEJMO-UHFFFAOYSA-N 1 2 299.378 1.630 20 30 CDEDLO CC1(C#N)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000592947510 342748853 /nfs/dbraw/zinc/74/88/53/342748853.db2.gz LAEDWMGRBLJJOA-LBPRGKRZSA-N 1 2 272.352 1.598 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)N3CC[C@@](O)(CC#N)C3)cc2n1C ZINC000592851967 342736712 /nfs/dbraw/zinc/73/67/12/342736712.db2.gz GTPUTGMUYVEBCY-INIZCTEOSA-N 1 2 298.346 1.372 20 30 CDEDLO Cc1noc(C)c1[C@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593154277 342774275 /nfs/dbraw/zinc/77/42/75/342774275.db2.gz CQVGRNWDGSXQTJ-LKFCYVNXSA-N 1 2 278.356 1.355 20 30 CDEDLO C[C@@H](OCc1ccccc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593155380 342774374 /nfs/dbraw/zinc/77/43/74/342774374.db2.gz RTOOUDGTIBJOGO-CZUORRHYSA-N 1 2 289.379 1.552 20 30 CDEDLO C[C@H](CC(=O)N(C)c1ccc(C#N)nc1)n1cc[nH+]c1 ZINC000593277172 342783253 /nfs/dbraw/zinc/78/32/53/342783253.db2.gz QHAVTOSDDCEHCN-LLVKDONJSA-N 1 2 269.308 1.764 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000593471618 342804281 /nfs/dbraw/zinc/80/42/81/342804281.db2.gz HOXZHRPSJYSHBZ-ZIAGYGMSSA-N 1 2 286.379 1.837 20 30 CDEDLO C=CCC[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)OCC ZINC000593738574 342826445 /nfs/dbraw/zinc/82/64/45/342826445.db2.gz IYLUEZFJWZMXBC-QWHCGFSZSA-N 1 2 293.367 1.848 20 30 CDEDLO Cc1onc(CC(=O)NC(C)(C)c2[nH]cc[nH+]2)c1C#N ZINC000593736664 342830849 /nfs/dbraw/zinc/83/08/49/342830849.db2.gz RWVQXAUQYZFFKC-UHFFFAOYSA-N 1 2 273.296 1.172 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)C[C@H](C2CC2)O1 ZINC000593981225 342864228 /nfs/dbraw/zinc/86/42/28/342864228.db2.gz ZEGUORYQQQCTMO-IAQYHMDHSA-N 1 2 257.337 1.953 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)C[C@H](C2CC2)O1 ZINC000593981225 342864229 /nfs/dbraw/zinc/86/42/29/342864229.db2.gz ZEGUORYQQQCTMO-IAQYHMDHSA-N 1 2 257.337 1.953 20 30 CDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000594024684 342867565 /nfs/dbraw/zinc/86/75/65/342867565.db2.gz UWLDBCHLGXSOFR-DYVFJYSZSA-N 1 2 298.390 1.697 20 30 CDEDLO CC(C)[C@H](C#N)N1CCN(Cc2cn(C)c[nH+]2)CC1 ZINC000595399796 343048776 /nfs/dbraw/zinc/04/87/76/343048776.db2.gz XRYSTISQRPKFQC-AWEZNQCLSA-N 1 2 261.373 1.086 20 30 CDEDLO Cc1cccn2cc(CCNC(=O)NCC3(C#N)CC3)[nH+]c12 ZINC000619530049 349791918 /nfs/dbraw/zinc/79/19/18/349791918.db2.gz KLVGGEOVQRPPGZ-UHFFFAOYSA-N 1 2 297.362 1.788 20 30 CDEDLO C[C@H]1C[NH+](CCc2ccc(C#N)cc2)C[C@H](C)S1=O ZINC000595454470 343067213 /nfs/dbraw/zinc/06/72/13/343067213.db2.gz LLERPWQGVFQLFM-STQMWFEESA-N 1 2 276.405 1.942 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@H](CC#N)C1 ZINC000595551617 343085926 /nfs/dbraw/zinc/08/59/26/343085926.db2.gz JEYMWXMMJJVFTG-UONOGXRCSA-N 1 2 294.399 1.042 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@H](CC#N)C1 ZINC000595551617 343085928 /nfs/dbraw/zinc/08/59/28/343085928.db2.gz JEYMWXMMJJVFTG-UONOGXRCSA-N 1 2 294.399 1.042 20 30 CDEDLO CC[C@](COC)([NH2+]CCc1ccc(C#N)cc1)C(=O)OC ZINC000595531839 343090636 /nfs/dbraw/zinc/09/06/36/343090636.db2.gz YQKMZBWOZLXJLI-MRXNPFEDSA-N 1 2 290.363 1.659 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(C#N)cc1 ZINC000078681277 342339742 /nfs/dbraw/zinc/33/97/42/342339742.db2.gz NMXHKWNAPYUOCN-UHFFFAOYSA-N 1 2 298.390 1.606 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595781270 343154162 /nfs/dbraw/zinc/15/41/62/343154162.db2.gz CDGMASWQVPKIGZ-ZIAGYGMSSA-N 1 2 267.369 1.995 20 30 CDEDLO Cn1nnc2cc(C[N@@H+]3CC[C@@](C)(C#N)C3)ccc21 ZINC000595837285 343171296 /nfs/dbraw/zinc/17/12/96/343171296.db2.gz FQNOVFBJECVSAD-AWEZNQCLSA-N 1 2 255.325 1.704 20 30 CDEDLO Cn1nnc2cc(C[N@H+]3CC[C@@](C)(C#N)C3)ccc21 ZINC000595837285 343171298 /nfs/dbraw/zinc/17/12/98/343171298.db2.gz FQNOVFBJECVSAD-AWEZNQCLSA-N 1 2 255.325 1.704 20 30 CDEDLO C=CCn1cc(C[NH+]2CCC(C(=O)OCC)CC2)nn1 ZINC000600967420 342358139 /nfs/dbraw/zinc/35/81/39/342358139.db2.gz FTMRCRUUKVODDL-UHFFFAOYSA-N 1 2 278.356 1.239 20 30 CDEDLO C[C@@H]1CCN(c2c(C#N)cnn2C)C[C@H]1n1cc[nH+]c1 ZINC000596158136 343254824 /nfs/dbraw/zinc/25/48/24/343254824.db2.gz RGVNVBDJABRAQR-DGCLKSJQSA-N 1 2 270.340 1.576 20 30 CDEDLO COC(=O)[C@](C)([NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC000081153980 342364819 /nfs/dbraw/zinc/36/48/19/342364819.db2.gz MRKTYKUKLIAYHY-OAHLLOKOSA-N 1 2 258.321 1.990 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(Cl)cc1 ZINC000083218738 342376683 /nfs/dbraw/zinc/37/66/83/342376683.db2.gz UXLAYACGYYNENV-LBPRGKRZSA-N 1 2 268.744 1.925 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(Cl)cc1 ZINC000083218738 342376684 /nfs/dbraw/zinc/37/66/84/342376684.db2.gz UXLAYACGYYNENV-LBPRGKRZSA-N 1 2 268.744 1.925 20 30 CDEDLO N#Cc1cc(C(=O)NCc2ccc[nH+]c2N2CCCC2)c[nH]1 ZINC000596450759 343324278 /nfs/dbraw/zinc/32/42/78/343324278.db2.gz VRBUJOGHTHTXIM-UHFFFAOYSA-N 1 2 295.346 1.812 20 30 CDEDLO N#Cc1cccc(NC(=O)N2CCc3[nH]c[nH+]c3C2)c1 ZINC000065164303 362167978 /nfs/dbraw/zinc/16/79/78/362167978.db2.gz WFRQFAZUUVDYDJ-UHFFFAOYSA-N 1 2 267.292 1.872 20 30 CDEDLO N#Cc1cccc(NC(=O)N2CCc3[nH+]c[nH]c3C2)c1 ZINC000065164303 362167982 /nfs/dbraw/zinc/16/79/82/362167982.db2.gz WFRQFAZUUVDYDJ-UHFFFAOYSA-N 1 2 267.292 1.872 20 30 CDEDLO CC[C@H](C#N)C(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000597847209 343652642 /nfs/dbraw/zinc/65/26/42/343652642.db2.gz ORUOUXKKRXKYLF-GHMZBOCLSA-N 1 2 278.356 1.146 20 30 CDEDLO C=CCCSCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000597968346 343686705 /nfs/dbraw/zinc/68/67/05/343686705.db2.gz FHEQPIUHPUMVBH-LBPRGKRZSA-N 1 2 279.409 1.871 20 30 CDEDLO CN1CC[C@H]([N@H+](C)CC(=O)NC2CCCCCC2)C1=O ZINC000329050997 529819483 /nfs/dbraw/zinc/81/94/83/529819483.db2.gz HBYCDYUQEJHENR-ZDUSSCGKSA-N 1 2 281.400 1.828 20 30 CDEDLO CN1CC[C@H]([N@@H+](C)CC(=O)NC2CCCCCC2)C1=O ZINC000329050997 529819485 /nfs/dbraw/zinc/81/94/85/529819485.db2.gz HBYCDYUQEJHENR-ZDUSSCGKSA-N 1 2 281.400 1.828 20 30 CDEDLO Cc1ccc(-c2ccc(NCCOCCO)[nH+]c2)c(C#N)c1 ZINC000600773944 349880211 /nfs/dbraw/zinc/88/02/11/349880211.db2.gz ADETYBJPKMSODJ-UHFFFAOYSA-N 1 2 297.358 1.771 20 30 CDEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccc2c(c1)OCCO2 ZINC000330295868 362265073 /nfs/dbraw/zinc/26/50/73/362265073.db2.gz FXINOPJAXISRDB-GFCCVEGCSA-N 1 2 299.330 1.974 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2CC2(C#N)CC2)O1 ZINC000619784995 349901789 /nfs/dbraw/zinc/90/17/89/349901789.db2.gz PNFYNWYPIIVJLS-NDBYEHHHSA-N 1 2 278.352 1.474 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2CC2(C#N)CC2)O1 ZINC000619784995 349901791 /nfs/dbraw/zinc/90/17/91/349901791.db2.gz PNFYNWYPIIVJLS-NDBYEHHHSA-N 1 2 278.352 1.474 20 30 CDEDLO N#CC[C@]1(O)CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000601651788 344212983 /nfs/dbraw/zinc/21/29/83/344212983.db2.gz IGRRUEYJSHFSSO-INIZCTEOSA-N 1 2 296.330 1.567 20 30 CDEDLO C=CCC[C@@H]([NH2+]Cc1ccc(=O)[nH]c1)C(=O)OCC ZINC000602680892 344528625 /nfs/dbraw/zinc/52/86/25/344528625.db2.gz MNQFXIWEXRDHDG-GFCCVEGCSA-N 1 2 264.325 1.775 20 30 CDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000265606758 362460534 /nfs/dbraw/zinc/46/05/34/362460534.db2.gz KJEFBYXZOBTSBE-SOZUMNATSA-N 1 2 262.378 1.900 20 30 CDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000265606758 362460541 /nfs/dbraw/zinc/46/05/41/362460541.db2.gz KJEFBYXZOBTSBE-SOZUMNATSA-N 1 2 262.378 1.900 20 30 CDEDLO Cc1n[nH]cc1C[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000602941267 344665876 /nfs/dbraw/zinc/66/58/76/344665876.db2.gz IZLNOWMLVAKIAD-LLVKDONJSA-N 1 2 275.356 1.101 20 30 CDEDLO Cc1n[nH]cc1C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000602941267 344665880 /nfs/dbraw/zinc/66/58/80/344665880.db2.gz IZLNOWMLVAKIAD-LLVKDONJSA-N 1 2 275.356 1.101 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000602865681 344638261 /nfs/dbraw/zinc/63/82/61/344638261.db2.gz XKBZACJTYGQADP-UMSGYPCISA-N 1 2 251.374 1.962 20 30 CDEDLO COc1cccc(CNC(=O)[C@@H](C)[NH2+][C@H](C)CC#N)c1 ZINC000602865500 344638285 /nfs/dbraw/zinc/63/82/85/344638285.db2.gz YMVNKJVNYBXBCW-VXGBXAGGSA-N 1 2 275.352 1.592 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000602865385 344638300 /nfs/dbraw/zinc/63/83/00/344638300.db2.gz XSRDDTNLWHEMPU-YNEHKIRRSA-N 1 2 251.374 1.915 20 30 CDEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(OCC(F)(F)F)nn1 ZINC000602868529 344639872 /nfs/dbraw/zinc/63/98/72/344639872.db2.gz CESBTFLBNGQADF-QMMMGPOBSA-N 1 2 274.246 1.809 20 30 CDEDLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612167732 347066240 /nfs/dbraw/zinc/06/62/40/347066240.db2.gz WBXNPHWATLDFFR-OUCADQQQSA-N 1 2 251.374 1.915 20 30 CDEDLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612167732 347066243 /nfs/dbraw/zinc/06/62/43/347066243.db2.gz WBXNPHWATLDFFR-OUCADQQQSA-N 1 2 251.374 1.915 20 30 CDEDLO CCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612164360 347066688 /nfs/dbraw/zinc/06/66/88/347066688.db2.gz DZCPOHMYAHRAOY-GXTWGEPZSA-N 1 2 251.374 1.917 20 30 CDEDLO CCCCNC(=O)[C@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612164360 347066690 /nfs/dbraw/zinc/06/66/90/347066690.db2.gz DZCPOHMYAHRAOY-GXTWGEPZSA-N 1 2 251.374 1.917 20 30 CDEDLO O=C(NCC#Cc1cccc(F)c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000338240108 345123884 /nfs/dbraw/zinc/12/38/84/345123884.db2.gz PBYVSRROJCAOML-AWEZNQCLSA-N 1 2 297.333 1.753 20 30 CDEDLO C=CCOc1ccc(CC(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000448951447 362609165 /nfs/dbraw/zinc/60/91/65/362609165.db2.gz OYFOWDAENUFVNR-UHFFFAOYSA-N 1 2 285.347 1.876 20 30 CDEDLO N#CCn1c(C(=O)NCCc2[nH]cc[nH+]2)cc2ccccc21 ZINC000610427319 346277382 /nfs/dbraw/zinc/27/73/82/346277382.db2.gz NIFOLPQREDAILW-UHFFFAOYSA-N 1 2 293.330 1.860 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2cn[nH]c2)c(C#N)c1C ZINC000610487215 346292744 /nfs/dbraw/zinc/29/27/44/346292744.db2.gz BDJMOUIEOQZJSH-UHFFFAOYSA-N 1 2 287.323 1.562 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2cn[nH]c2)c(C#N)c1C ZINC000610487215 346292749 /nfs/dbraw/zinc/29/27/49/346292749.db2.gz BDJMOUIEOQZJSH-UHFFFAOYSA-N 1 2 287.323 1.562 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000610676573 346349406 /nfs/dbraw/zinc/34/94/06/346349406.db2.gz VYADJGSZRGHUCU-SKDRFNHKSA-N 1 2 279.290 1.962 20 30 CDEDLO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000610992220 346567849 /nfs/dbraw/zinc/56/78/49/346567849.db2.gz LORWJXHNUDPCDU-CQSZACIVSA-N 1 2 286.379 1.690 20 30 CDEDLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610992220 346567850 /nfs/dbraw/zinc/56/78/50/346567850.db2.gz LORWJXHNUDPCDU-CQSZACIVSA-N 1 2 286.379 1.690 20 30 CDEDLO CCCC[C@H](C(=O)OC)[NH+]1CCN(CCC#N)CC1 ZINC000611173699 346627191 /nfs/dbraw/zinc/62/71/91/346627191.db2.gz HEHCQISGOPFWHN-CYBMUJFWSA-N 1 2 267.373 1.249 20 30 CDEDLO Cc1nc(N2CCN([C@@H](C#N)C(C)C)CC2)cc[nH+]1 ZINC000611413164 346780193 /nfs/dbraw/zinc/78/01/93/346780193.db2.gz WCZWTTSDFYNSEE-ZDUSSCGKSA-N 1 2 259.357 1.455 20 30 CDEDLO Cn1cnc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)n1 ZINC000611395061 346776995 /nfs/dbraw/zinc/77/69/95/346776995.db2.gz IRYBYKIOEGXQRC-CQSZACIVSA-N 1 2 267.336 1.854 20 30 CDEDLO Cc1nc(N2CC[NH+](C[C@H](C)O)CC2)c(Cl)cc1C#N ZINC000292533221 136677865 /nfs/dbraw/zinc/67/78/65/136677865.db2.gz HWMUOKPDFZPXEN-JTQLQIEISA-N 1 2 294.786 1.418 20 30 CDEDLO CC(C)Cn1cc[nH+]c1CNC(=O)[C@]1(C#N)C[C@@H]1C ZINC000449933474 362782313 /nfs/dbraw/zinc/78/23/13/362782313.db2.gz BLFRHGNXLDVXHR-FZMZJTMJSA-N 1 2 260.341 1.705 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CSCc2ccco2)CC1 ZINC000490781099 347577570 /nfs/dbraw/zinc/57/75/70/347577570.db2.gz WCOLYYMYLBGUAA-UHFFFAOYSA-N 1 2 278.377 1.290 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1cc(F)cc(C#N)c1 ZINC000414131064 362921666 /nfs/dbraw/zinc/92/16/66/362921666.db2.gz YTWMPUIJKYVHKZ-ZDUSSCGKSA-N 1 2 277.299 1.283 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cc(F)cc(C#N)c1 ZINC000414131064 362921668 /nfs/dbraw/zinc/92/16/68/362921668.db2.gz YTWMPUIJKYVHKZ-ZDUSSCGKSA-N 1 2 277.299 1.283 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000615330008 348443260 /nfs/dbraw/zinc/44/32/60/348443260.db2.gz WXBJXXBMVAIFLD-WDEREUQCSA-N 1 2 294.317 1.720 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000615330008 348443263 /nfs/dbraw/zinc/44/32/63/348443263.db2.gz WXBJXXBMVAIFLD-WDEREUQCSA-N 1 2 294.317 1.720 20 30 CDEDLO Cc1cc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)n(CCC#N)n1 ZINC000615721254 348651863 /nfs/dbraw/zinc/65/18/63/348651863.db2.gz OJAHTLPIKUKCAM-GFCCVEGCSA-N 1 2 298.350 1.503 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)c1nnnn1C)c1cccc(C#N)c1 ZINC000615702484 348640599 /nfs/dbraw/zinc/64/05/99/348640599.db2.gz WAFDJZHSMWHQKK-ZJUUUORDSA-N 1 2 256.313 1.494 20 30 CDEDLO N#CCC[C@H](C#N)Cn1c2ccccc2[nH+]c1NCCO ZINC000046437895 348791178 /nfs/dbraw/zinc/79/11/78/348791178.db2.gz AQKJLYBBDNEKLY-GFCCVEGCSA-N 1 2 283.335 1.884 20 30 CDEDLO Cc1cc(NC(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)ncc1C#N ZINC000603138744 350215507 /nfs/dbraw/zinc/21/55/07/350215507.db2.gz WJNFJURRFANEFT-ZYHUDNBSSA-N 1 2 296.334 1.708 20 30 CDEDLO N#Cc1ccccc1N1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000603283546 350246881 /nfs/dbraw/zinc/24/68/81/350246881.db2.gz HUTYVXRERSHZAN-UHFFFAOYSA-N 1 2 294.358 1.772 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cncc(OCC)c2)nn1 ZINC000621365073 350568441 /nfs/dbraw/zinc/56/84/41/350568441.db2.gz PTWLUCFBZYZBRR-UHFFFAOYSA-N 1 2 273.340 1.548 20 30 CDEDLO CC(C)[C@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000264630972 363112600 /nfs/dbraw/zinc/11/26/00/363112600.db2.gz NWCXLTKIBNAUNP-LBPRGKRZSA-N 1 2 269.308 1.545 20 30 CDEDLO Cc1nnc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)[nH]1 ZINC000292044436 198144622 /nfs/dbraw/zinc/14/46/22/198144622.db2.gz ASQWYMZEAFWDPO-LBPRGKRZSA-N 1 2 284.323 1.033 20 30 CDEDLO Cc1nnc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)[nH]1 ZINC000292044436 198144624 /nfs/dbraw/zinc/14/46/24/198144624.db2.gz ASQWYMZEAFWDPO-LBPRGKRZSA-N 1 2 284.323 1.033 20 30 CDEDLO CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292212416 198204727 /nfs/dbraw/zinc/20/47/27/198204727.db2.gz OLHYAYIHUJFORM-WCQYABFASA-N 1 2 289.335 1.358 20 30 CDEDLO CCOC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292212416 198204729 /nfs/dbraw/zinc/20/47/29/198204729.db2.gz OLHYAYIHUJFORM-WCQYABFASA-N 1 2 289.335 1.358 20 30 CDEDLO CNC(=O)[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000156313906 188254827 /nfs/dbraw/zinc/25/48/27/188254827.db2.gz RFYSZOMXRNPJQL-CQSZACIVSA-N 1 2 260.312 1.388 20 30 CDEDLO CNC(=O)[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000156313906 188254828 /nfs/dbraw/zinc/25/48/28/188254828.db2.gz RFYSZOMXRNPJQL-CQSZACIVSA-N 1 2 260.312 1.388 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000157235141 188305296 /nfs/dbraw/zinc/30/52/96/188305296.db2.gz HXJULKFBBNQBFU-IUODEOHRSA-N 1 2 290.363 1.539 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000157235141 188305298 /nfs/dbraw/zinc/30/52/98/188305298.db2.gz HXJULKFBBNQBFU-IUODEOHRSA-N 1 2 290.363 1.539 20 30 CDEDLO C=CCCCS(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000292729811 198391971 /nfs/dbraw/zinc/39/19/71/198391971.db2.gz UZKJULHZQNRFEB-LBPRGKRZSA-N 1 2 283.397 1.885 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN(C)[C@@H](C(C)C)C1 ZINC000488004016 366091323 /nfs/dbraw/zinc/09/13/23/366091323.db2.gz VPAGQYCRIGFILJ-HZPDHXFCSA-N 1 2 293.455 1.848 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN(C)[C@@H](C(C)C)C1 ZINC000488004016 366091326 /nfs/dbraw/zinc/09/13/26/366091326.db2.gz VPAGQYCRIGFILJ-HZPDHXFCSA-N 1 2 293.455 1.848 20 30 CDEDLO CC[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000332501258 356026526 /nfs/dbraw/zinc/02/65/26/356026526.db2.gz WRKSVZLSSYSSQJ-STQMWFEESA-N 1 2 279.384 1.438 20 30 CDEDLO CC[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000332501258 356026530 /nfs/dbraw/zinc/02/65/30/356026530.db2.gz WRKSVZLSSYSSQJ-STQMWFEESA-N 1 2 279.384 1.438 20 30 CDEDLO C=C[C@H](C)NC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000354267661 356198821 /nfs/dbraw/zinc/19/88/21/356198821.db2.gz VBSQVROJDFABOF-NWDGAFQWSA-N 1 2 277.372 1.372 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCOCC1 ZINC000059951022 356377519 /nfs/dbraw/zinc/37/75/19/356377519.db2.gz PGCGYMIQPSGRPF-LBPRGKRZSA-N 1 2 273.336 1.608 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCOCC1 ZINC000059951022 356377522 /nfs/dbraw/zinc/37/75/22/356377522.db2.gz PGCGYMIQPSGRPF-LBPRGKRZSA-N 1 2 273.336 1.608 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533530123 356455842 /nfs/dbraw/zinc/45/58/42/356455842.db2.gz ILDKWYDHMQPTJK-UHFFFAOYSA-N 1 2 287.363 1.512 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2ccc(O)cc2C1 ZINC000533530123 356455845 /nfs/dbraw/zinc/45/58/45/356455845.db2.gz ILDKWYDHMQPTJK-UHFFFAOYSA-N 1 2 287.363 1.512 20 30 CDEDLO CO[C@H]1C[C@@H](C(=O)N[C@H]2CCCc3cn[nH]c32)[N@H+](C)C1 ZINC000329001064 538448042 /nfs/dbraw/zinc/44/80/42/538448042.db2.gz XMEOVSQENDEJTP-SRVKXCTJSA-N 1 2 278.356 1.463 20 30 CDEDLO CO[C@H]1C[C@@H](C(=O)N[C@H]2CCCc3cn[nH]c32)[N@@H+](C)C1 ZINC000329001064 538448044 /nfs/dbraw/zinc/44/80/44/538448044.db2.gz XMEOVSQENDEJTP-SRVKXCTJSA-N 1 2 278.356 1.463 20 30 CDEDLO N#Cc1ccc2ncc(C[N@@H+]3CCO[C@@H]4CCC[C@@H]43)n2c1 ZINC000372442601 283201279 /nfs/dbraw/zinc/20/12/79/283201279.db2.gz SWQHKWHXHVOWTN-LSDHHAIUSA-N 1 2 282.347 1.959 20 30 CDEDLO N#Cc1ccc2ncc(C[N@H+]3CCO[C@@H]4CCC[C@@H]43)n2c1 ZINC000372442601 283201281 /nfs/dbraw/zinc/20/12/81/283201281.db2.gz SWQHKWHXHVOWTN-LSDHHAIUSA-N 1 2 282.347 1.959 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2C[C@@H](O)C[C@@H]2C(=O)OC)c1 ZINC000188617509 356924661 /nfs/dbraw/zinc/92/46/61/356924661.db2.gz QJDBJRZPQSUEEP-DZGCQCFKSA-N 1 2 291.347 1.360 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2C[C@@H](O)C[C@@H]2C(=O)OC)c1 ZINC000188617509 356924663 /nfs/dbraw/zinc/92/46/63/356924663.db2.gz QJDBJRZPQSUEEP-DZGCQCFKSA-N 1 2 291.347 1.360 20 30 CDEDLO C=CC[N@@H+](CCc1ccco1)[C@@H](C)c1nnnn1C ZINC000299138500 356976022 /nfs/dbraw/zinc/97/60/22/356976022.db2.gz WENRKQCCWUQMJG-NSHDSACASA-N 1 2 261.329 1.595 20 30 CDEDLO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1nnnn1C ZINC000299138500 356976026 /nfs/dbraw/zinc/97/60/26/356976026.db2.gz WENRKQCCWUQMJG-NSHDSACASA-N 1 2 261.329 1.595 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N(CC)c1ccccc1 ZINC000299347971 357032731 /nfs/dbraw/zinc/03/27/31/357032731.db2.gz QSGZQYUNMRQTHN-HNNXBMFYSA-N 1 2 268.360 1.996 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000299412770 357056624 /nfs/dbraw/zinc/05/66/24/357056624.db2.gz WEMKGDQKRDDJSV-CYBMUJFWSA-N 1 2 283.331 1.292 20 30 CDEDLO COCC1=CC[N@H+](CC(=O)Nc2sccc2C#N)CC1 ZINC000185836623 357581973 /nfs/dbraw/zinc/58/19/73/357581973.db2.gz NZZSGPGVTRRGAT-UHFFFAOYSA-N 1 2 291.376 1.837 20 30 CDEDLO COCC1=CC[N@@H+](CC(=O)Nc2sccc2C#N)CC1 ZINC000185836623 357581978 /nfs/dbraw/zinc/58/19/78/357581978.db2.gz NZZSGPGVTRRGAT-UHFFFAOYSA-N 1 2 291.376 1.837 20 30 CDEDLO N#Cc1cc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)ccn1 ZINC000337666584 358104642 /nfs/dbraw/zinc/10/46/42/358104642.db2.gz SXIJVUGKXMNHJI-OAHLLOKOSA-N 1 2 293.330 1.135 20 30 CDEDLO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ncc[nH]3)C2=O)cc1 ZINC000192243733 358183639 /nfs/dbraw/zinc/18/36/39/358183639.db2.gz KBRCNDZAPMDSNF-AWEZNQCLSA-N 1 2 295.346 1.172 20 30 CDEDLO CC(C)C[N@H+](CC(N)=O)Cc1cc(F)ccc1C#N ZINC000177263149 366435724 /nfs/dbraw/zinc/43/57/24/366435724.db2.gz HFRNVQJRRGYOHK-UHFFFAOYSA-N 1 2 263.316 1.641 20 30 CDEDLO CC(C)C[N@@H+](CC(N)=O)Cc1cc(F)ccc1C#N ZINC000177263149 366435732 /nfs/dbraw/zinc/43/57/32/366435732.db2.gz HFRNVQJRRGYOHK-UHFFFAOYSA-N 1 2 263.316 1.641 20 30 CDEDLO Cc1cc(C)c(CNC(=O)N2CC[C@@](F)(C#N)C2)c[nH+]1 ZINC000590839190 358528218 /nfs/dbraw/zinc/52/82/18/358528218.db2.gz BTKVFJITHPVMOF-CQSZACIVSA-N 1 2 276.315 1.846 20 30 CDEDLO C=C(Br)C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000185111719 358772832 /nfs/dbraw/zinc/77/28/32/358772832.db2.gz ZFQNBRZGPNLYHX-QPUJVOFHSA-N 1 2 254.193 1.594 20 30 CDEDLO C=C(Br)C[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000185111719 358772834 /nfs/dbraw/zinc/77/28/34/358772834.db2.gz ZFQNBRZGPNLYHX-QPUJVOFHSA-N 1 2 254.193 1.594 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)NCCCn1cc[nH+]c1 ZINC000338095690 358809256 /nfs/dbraw/zinc/80/92/56/358809256.db2.gz OOPXEFKXGLFKJL-UHFFFAOYSA-N 1 2 268.320 1.883 20 30 CDEDLO N#CCC1(CS(=O)(=O)NCCNc2cccc[nH+]2)CC1 ZINC000346449942 359013031 /nfs/dbraw/zinc/01/30/31/359013031.db2.gz DNLDMEXGWBANRQ-UHFFFAOYSA-N 1 2 294.380 1.107 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)c(C)c2)C[C@H](C)O1 ZINC000338342121 359120455 /nfs/dbraw/zinc/12/04/55/359120455.db2.gz FLMNMQIKMMTUDN-WFASDCNBSA-N 1 2 288.347 1.629 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)c(C)c2)C[C@H](C)O1 ZINC000338342121 359120457 /nfs/dbraw/zinc/12/04/57/359120457.db2.gz FLMNMQIKMMTUDN-WFASDCNBSA-N 1 2 288.347 1.629 20 30 CDEDLO N#Cc1ccc2c(c1)N(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC000287752977 359111454 /nfs/dbraw/zinc/11/14/54/359111454.db2.gz PWMAWLJGWZDCRB-UHFFFAOYSA-N 1 2 266.304 1.803 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1C#N ZINC000338286890 359113173 /nfs/dbraw/zinc/11/31/73/359113173.db2.gz YLXYTXULVDXPCZ-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1C#N ZINC000338286890 359113176 /nfs/dbraw/zinc/11/31/76/359113176.db2.gz YLXYTXULVDXPCZ-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO C#CCCCCNC(=O)NCCNc1cccc[nH+]1 ZINC000268266470 359359875 /nfs/dbraw/zinc/35/98/75/359359875.db2.gz FTGLRBYZFKTXBX-UHFFFAOYSA-N 1 2 260.341 1.596 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ncoc2CC)CC1 ZINC000265730108 359334739 /nfs/dbraw/zinc/33/47/39/359334739.db2.gz ASIGIKUTBZZAKD-UHFFFAOYSA-N 1 2 261.325 1.018 20 30 CDEDLO C#CC[N@@H+](CC)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000270762997 359411051 /nfs/dbraw/zinc/41/10/51/359411051.db2.gz YODWZEMFRPSQTB-LBPRGKRZSA-N 1 2 295.180 1.931 20 30 CDEDLO C#CC[N@H+](CC)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000270762997 359411053 /nfs/dbraw/zinc/41/10/53/359411053.db2.gz YODWZEMFRPSQTB-LBPRGKRZSA-N 1 2 295.180 1.931 20 30 CDEDLO C#CCCC[NH2+]c1ccc(OC)c(-n2nnnc2C)c1 ZINC000270943508 359419694 /nfs/dbraw/zinc/41/96/94/359419694.db2.gz SZJAYIHMQFGQMB-UHFFFAOYSA-N 1 2 271.324 1.805 20 30 CDEDLO C#C[C@@H](C)NC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000274921805 359525203 /nfs/dbraw/zinc/52/52/03/359525203.db2.gz NCYNQCTXOYOFMD-LLVKDONJSA-N 1 2 270.336 1.666 20 30 CDEDLO C#CC[N@@H+](CC(=O)N(C)Cc1ccccc1)C1CC1 ZINC000274116272 359490901 /nfs/dbraw/zinc/49/09/01/359490901.db2.gz GCTJGNCMZJKJRA-UHFFFAOYSA-N 1 2 256.349 1.743 20 30 CDEDLO C#CC[N@H+](CC(=O)N(C)Cc1ccccc1)C1CC1 ZINC000274116272 359490906 /nfs/dbraw/zinc/49/09/06/359490906.db2.gz GCTJGNCMZJKJRA-UHFFFAOYSA-N 1 2 256.349 1.743 20 30 CDEDLO C#CCN(C(=O)NCc1cn2ccccc2[nH+]1)C1CC1 ZINC000274182069 359491339 /nfs/dbraw/zinc/49/13/39/359491339.db2.gz YDQCYLHFEBBVBB-UHFFFAOYSA-N 1 2 268.320 1.642 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000277075362 359554369 /nfs/dbraw/zinc/55/43/69/359554369.db2.gz DYMXWEGDHLJBRL-CKNLXJGOSA-N 1 2 298.452 1.418 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000277075362 359554372 /nfs/dbraw/zinc/55/43/72/359554372.db2.gz DYMXWEGDHLJBRL-CKNLXJGOSA-N 1 2 298.452 1.418 20 30 CDEDLO C#CCSCCNc1cc(N2CCSCC2)nc[nH+]1 ZINC000277945249 359576858 /nfs/dbraw/zinc/57/68/58/359576858.db2.gz XHSFLNYFBNFBNC-UHFFFAOYSA-N 1 2 294.449 1.808 20 30 CDEDLO C#CCSCCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000277945249 359576860 /nfs/dbraw/zinc/57/68/60/359576860.db2.gz XHSFLNYFBNFBNC-UHFFFAOYSA-N 1 2 294.449 1.808 20 30 CDEDLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccc(C#N)n2C)[nH+]1 ZINC000571529879 359583971 /nfs/dbraw/zinc/58/39/71/359583971.db2.gz AUHVSMKUJKBKDX-UHFFFAOYSA-N 1 2 271.324 1.593 20 30 CDEDLO Cc1noc([C@H]2CCC[N@H+]2Cc2cc(C#N)n(C)c2)n1 ZINC000289671004 359662184 /nfs/dbraw/zinc/66/21/84/359662184.db2.gz DLCHXARFUDNBJG-CYBMUJFWSA-N 1 2 271.324 1.925 20 30 CDEDLO Cc1noc([C@H]2CCC[N@@H+]2Cc2cc(C#N)n(C)c2)n1 ZINC000289671004 359662189 /nfs/dbraw/zinc/66/21/89/359662189.db2.gz DLCHXARFUDNBJG-CYBMUJFWSA-N 1 2 271.324 1.925 20 30 CDEDLO C=CCOc1ccc(C[NH+]2CC(C)(O)C2)cc1OC ZINC000639254403 359929407 /nfs/dbraw/zinc/92/94/07/359929407.db2.gz RVMUTUAZKCASBI-UHFFFAOYSA-N 1 2 263.337 1.827 20 30 CDEDLO C#C[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(C)C ZINC000297883445 200298916 /nfs/dbraw/zinc/29/89/16/200298916.db2.gz GXSGEJZKTWHZGM-OLZOCXBDSA-N 1 2 274.368 1.957 20 30 CDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)NCC=C ZINC000298039513 200321452 /nfs/dbraw/zinc/32/14/52/200321452.db2.gz GPVGTRRIYFCBCD-CYBMUJFWSA-N 1 2 274.339 1.952 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)NCC=C ZINC000298039513 200321453 /nfs/dbraw/zinc/32/14/53/200321453.db2.gz GPVGTRRIYFCBCD-CYBMUJFWSA-N 1 2 274.339 1.952 20 30 CDEDLO C=CCCC(C)(C)NC(=O)[C@H]1COCC[N@H+]1CC ZINC000637419499 360008244 /nfs/dbraw/zinc/00/82/44/360008244.db2.gz ZYZIYBDTNKNOGB-GFCCVEGCSA-N 1 2 254.374 1.568 20 30 CDEDLO C=CCCC(C)(C)NC(=O)[C@H]1COCC[N@@H+]1CC ZINC000637419499 360008248 /nfs/dbraw/zinc/00/82/48/360008248.db2.gz ZYZIYBDTNKNOGB-GFCCVEGCSA-N 1 2 254.374 1.568 20 30 CDEDLO CC[N@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000176801023 189009727 /nfs/dbraw/zinc/00/97/27/189009727.db2.gz KSOVBCDGZJLMHX-ZDUSSCGKSA-N 1 2 296.367 1.706 20 30 CDEDLO CC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000176801023 189009728 /nfs/dbraw/zinc/00/97/28/189009728.db2.gz KSOVBCDGZJLMHX-ZDUSSCGKSA-N 1 2 296.367 1.706 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000516279086 360589376 /nfs/dbraw/zinc/58/93/76/360589376.db2.gz GECZWUODSDTPAY-HBNTYKKESA-N 1 2 258.325 1.638 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH]c[nH+]c32)C1 ZINC000516279086 360589380 /nfs/dbraw/zinc/58/93/80/360589380.db2.gz GECZWUODSDTPAY-HBNTYKKESA-N 1 2 258.325 1.638 20 30 CDEDLO CC(C)C[C@H]1COCC[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000246269695 360826025 /nfs/dbraw/zinc/82/60/25/360826025.db2.gz ASDJYSNLOCIHPX-GOEBONIOSA-N 1 2 295.427 1.788 20 30 CDEDLO CC(C)C[C@H]1COCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000246269695 360826033 /nfs/dbraw/zinc/82/60/33/360826033.db2.gz ASDJYSNLOCIHPX-GOEBONIOSA-N 1 2 295.427 1.788 20 30 CDEDLO CCN1CCN(C(=O)C2(C#N)CCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433102401 361210583 /nfs/dbraw/zinc/21/05/83/361210583.db2.gz GRKVWWCATDVTBA-GFCCVEGCSA-N 1 2 287.367 1.309 20 30 CDEDLO CN(C[C@H](O)C[N@H+](C)CCC#N)C(=O)OC(C)(C)C ZINC000496365447 366787657 /nfs/dbraw/zinc/78/76/57/366787657.db2.gz PNVBHQPBWNJBQY-LLVKDONJSA-N 1 2 271.361 1.060 20 30 CDEDLO CN(C[C@H](O)C[N@@H+](C)CCC#N)C(=O)OC(C)(C)C ZINC000496365447 366787659 /nfs/dbraw/zinc/78/76/59/366787659.db2.gz PNVBHQPBWNJBQY-LLVKDONJSA-N 1 2 271.361 1.060 20 30 CDEDLO Cc1nc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)nn1C ZINC000329274574 361465958 /nfs/dbraw/zinc/46/59/58/361465958.db2.gz KNKYGLCEQJGDLA-VIFPVBQESA-N 1 2 260.301 1.171 20 30 CDEDLO O=C(NCC[NH+]1CCOCC1)c1ccnc(C2CC2)c1 ZINC000329333897 361481010 /nfs/dbraw/zinc/48/10/10/361481010.db2.gz NSXXEZLPVJMXPK-UHFFFAOYSA-N 1 2 275.352 1.596 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000562542418 361570347 /nfs/dbraw/zinc/57/03/47/361570347.db2.gz LJBGTPQWQLBXRS-KFWWJZLASA-N 1 2 288.347 1.652 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1nncn1C ZINC000274136214 239056925 /nfs/dbraw/zinc/05/69/25/239056925.db2.gz YXXOIBDGJOVYBO-MNOVXSKESA-N 1 2 298.350 1.365 20 30 CDEDLO O=C(NCCNc1cccc[nH+]1)[C@@H]1C[C@]12CCOC2 ZINC000329671889 361698516 /nfs/dbraw/zinc/69/85/16/361698516.db2.gz SHQLOPJXEOXIJF-FZMZJTMJSA-N 1 2 261.325 1.877 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccn2)CCC1 ZINC000526135030 363807655 /nfs/dbraw/zinc/80/76/55/363807655.db2.gz XLEOEZJJJFEZFJ-AWEZNQCLSA-N 1 2 284.363 1.781 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2c2ccccn2)CCC1 ZINC000526135030 363807661 /nfs/dbraw/zinc/80/76/61/363807661.db2.gz XLEOEZJJJFEZFJ-AWEZNQCLSA-N 1 2 284.363 1.781 20 30 CDEDLO C[C@@H]1C[C@H](NC(=O)COc2ccc(C#N)cc2)c2[nH+]ccn21 ZINC000456401008 364312356 /nfs/dbraw/zinc/31/23/56/364312356.db2.gz VLWHYYFWRNWMRC-RISCZKNCSA-N 1 2 296.330 1.956 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2noc3c2CCCC3)nn1 ZINC000641030917 364861187 /nfs/dbraw/zinc/86/11/87/364861187.db2.gz PEAROSRLNCZXKY-UHFFFAOYSA-N 1 2 285.351 1.306 20 30 CDEDLO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ncn(C)n1 ZINC000275523755 193066230 /nfs/dbraw/zinc/06/62/30/193066230.db2.gz JKGBUEGBSSVWGO-SECBINFHSA-N 1 2 259.288 1.677 20 30 CDEDLO C=CC[N@@H+](C[C@H](OC)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 ZINC000637962438 367286589 /nfs/dbraw/zinc/28/65/89/367286589.db2.gz MOOFHLDKZSUMNT-RDBSUJKOSA-N 1 2 289.441 1.723 20 30 CDEDLO C=CC[N@H+](C[C@H](OC)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 ZINC000637962438 367286595 /nfs/dbraw/zinc/28/65/95/367286595.db2.gz MOOFHLDKZSUMNT-RDBSUJKOSA-N 1 2 289.441 1.723 20 30 CDEDLO C=C(CC)C[NH+]1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000358630337 367828327 /nfs/dbraw/zinc/82/83/27/367828327.db2.gz NURRJUAMFNVHRA-UHFFFAOYSA-N 1 2 294.420 1.959 20 30 CDEDLO N#CCCCN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000078969181 368387195 /nfs/dbraw/zinc/38/71/95/368387195.db2.gz PTEUHSOKJBMXQX-UHFFFAOYSA-N 1 2 259.353 1.814 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000375685664 370906434 /nfs/dbraw/zinc/90/64/34/370906434.db2.gz SZSGKUFFGXDJCL-GXTWGEPZSA-N 1 2 260.341 1.986 20 30 CDEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000026194843 369183477 /nfs/dbraw/zinc/18/34/77/369183477.db2.gz ICPXBMHNEBFECX-SWLSCSKDSA-N 1 2 287.363 1.996 20 30 CDEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000026194843 369183479 /nfs/dbraw/zinc/18/34/79/369183479.db2.gz ICPXBMHNEBFECX-SWLSCSKDSA-N 1 2 287.363 1.996 20 30 CDEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000554564901 370226372 /nfs/dbraw/zinc/22/63/72/370226372.db2.gz BLVQJNQDVBYWNI-UHFFFAOYSA-N 1 2 298.390 1.561 20 30 CDEDLO COc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(OC)c1 ZINC000555482764 370233985 /nfs/dbraw/zinc/23/39/85/370233985.db2.gz KLMWLDBYQXDAJY-OAHLLOKOSA-N 1 2 291.351 1.277 20 30 CDEDLO COC(=O)CN(CC#N)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000120464450 370403230 /nfs/dbraw/zinc/40/32/30/370403230.db2.gz AXIMWIABSBUFSY-UHFFFAOYSA-N 1 2 298.302 1.011 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000372001897 370444827 /nfs/dbraw/zinc/44/48/27/370444827.db2.gz AUXKKMGHXLBAEO-CQSZACIVSA-N 1 2 295.427 1.211 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000372001897 370444831 /nfs/dbraw/zinc/44/48/31/370444831.db2.gz AUXKKMGHXLBAEO-CQSZACIVSA-N 1 2 295.427 1.211 20 30 CDEDLO COCCc1noc(C[N@H+](C)[C@@H](C)CCC#N)n1 ZINC000567989573 371193210 /nfs/dbraw/zinc/19/32/10/371193210.db2.gz KGCDDHHWGZAMRY-JTQLQIEISA-N 1 2 252.318 1.383 20 30 CDEDLO COCCc1noc(C[N@@H+](C)[C@@H](C)CCC#N)n1 ZINC000567989573 371193211 /nfs/dbraw/zinc/19/32/11/371193211.db2.gz KGCDDHHWGZAMRY-JTQLQIEISA-N 1 2 252.318 1.383 20 30 CDEDLO CCc1cccc(OCC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000569128647 371237500 /nfs/dbraw/zinc/23/75/00/371237500.db2.gz KEACZHGVFVQNJK-INIZCTEOSA-N 1 2 289.379 1.588 20 30 CDEDLO N#C[C@@H]1[N@H+](C[C@H]2CCCNC2=O)CCC[C@@]12CCCCO2 ZINC000573928258 371687358 /nfs/dbraw/zinc/68/73/58/371687358.db2.gz OIGMOOYUSJOKHF-YCPHGPKFSA-N 1 2 291.395 1.440 20 30 CDEDLO N#C[C@@H]1[N@@H+](C[C@H]2CCCNC2=O)CCC[C@@]12CCCCO2 ZINC000573928258 371687365 /nfs/dbraw/zinc/68/73/65/371687365.db2.gz OIGMOOYUSJOKHF-YCPHGPKFSA-N 1 2 291.395 1.440 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1cccc(C(=O)OC)c1C#N ZINC000574104248 371698193 /nfs/dbraw/zinc/69/81/93/371698193.db2.gz AZWSUEUVAHEBIV-UHFFFAOYSA-N 1 2 288.347 1.979 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1cccc(C(=O)OC)c1C#N ZINC000574104248 371698199 /nfs/dbraw/zinc/69/81/99/371698199.db2.gz AZWSUEUVAHEBIV-UHFFFAOYSA-N 1 2 288.347 1.979 20 30 CDEDLO C=C[C@](C)(CCOC)c1nc([C@H]2C[N@H+](C)CCN2C)no1 ZINC000350075958 372277600 /nfs/dbraw/zinc/27/76/00/372277600.db2.gz RPDCYDLGYPBRJH-IUODEOHRSA-N 1 2 294.399 1.468 20 30 CDEDLO C=C[C@](C)(CCOC)c1nc([C@H]2C[N@@H+](C)CCN2C)no1 ZINC000350075958 372277604 /nfs/dbraw/zinc/27/76/04/372277604.db2.gz RPDCYDLGYPBRJH-IUODEOHRSA-N 1 2 294.399 1.468 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCCN(C)C(=O)C1 ZINC000191134189 373457370 /nfs/dbraw/zinc/45/73/70/373457370.db2.gz DBLCYJWASBCEMM-UHFFFAOYSA-N 1 2 273.336 1.231 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCCN(C)C(=O)C1 ZINC000191134189 373457374 /nfs/dbraw/zinc/45/73/74/373457374.db2.gz DBLCYJWASBCEMM-UHFFFAOYSA-N 1 2 273.336 1.231 20 30 CDEDLO C=CCN(CCOC)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000191981519 373584779 /nfs/dbraw/zinc/58/47/79/373584779.db2.gz TUMDYFJEBCOXQB-GFCCVEGCSA-N 1 2 263.341 1.107 20 30 CDEDLO CCn1cc(C[N@H+](CCO)Cc2ccccc2C#N)cn1 ZINC000355516705 373829323 /nfs/dbraw/zinc/82/93/23/373829323.db2.gz QLVLUMXWWLSHOZ-UHFFFAOYSA-N 1 2 284.363 1.769 20 30 CDEDLO CCn1cc(C[N@@H+](CCO)Cc2ccccc2C#N)cn1 ZINC000355516705 373829327 /nfs/dbraw/zinc/82/93/27/373829327.db2.gz QLVLUMXWWLSHOZ-UHFFFAOYSA-N 1 2 284.363 1.769 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000360253216 374007685 /nfs/dbraw/zinc/00/76/85/374007685.db2.gz YOEVFJCTBXNNCQ-HNNXBMFYSA-N 1 2 287.363 1.285 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000360253216 374007688 /nfs/dbraw/zinc/00/76/88/374007688.db2.gz YOEVFJCTBXNNCQ-HNNXBMFYSA-N 1 2 287.363 1.285 20 30 CDEDLO COC[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000112985691 374236366 /nfs/dbraw/zinc/23/63/66/374236366.db2.gz OGJQFKDOAPNNIG-LLVKDONJSA-N 1 2 293.392 1.917 20 30 CDEDLO COC[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000112985691 374236369 /nfs/dbraw/zinc/23/63/69/374236369.db2.gz OGJQFKDOAPNNIG-LLVKDONJSA-N 1 2 293.392 1.917 20 30 CDEDLO N#Cc1cccc(/C=C/C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000368647170 374321963 /nfs/dbraw/zinc/32/19/63/374321963.db2.gz MNTLSOJWWWBJFZ-SNAWJCMRSA-N 1 2 278.315 1.810 20 30 CDEDLO C[C@H](O)CC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081515546 374512377 /nfs/dbraw/zinc/51/23/77/374512377.db2.gz CGMXURWYPARHEB-LBPRGKRZSA-N 1 2 296.392 1.035 20 30 CDEDLO C[C@H](O)CC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081515546 374512381 /nfs/dbraw/zinc/51/23/81/374512381.db2.gz CGMXURWYPARHEB-LBPRGKRZSA-N 1 2 296.392 1.035 20 30 CDEDLO CC(C)[C@H](NC(=O)c1cc(C#N)c[nH]1)c1[nH]cc[nH+]1 ZINC000277716835 374805909 /nfs/dbraw/zinc/80/59/09/374805909.db2.gz SFLGHUYHTRLNIK-NSHDSACASA-N 1 2 257.297 1.737 20 30 CDEDLO CCOC(=O)[C@H](F)C1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000293832949 374890632 /nfs/dbraw/zinc/89/06/32/374890632.db2.gz GQARHNYIIPEZMK-CQSZACIVSA-N 1 2 276.311 1.891 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279721740 374952297 /nfs/dbraw/zinc/95/22/97/374952297.db2.gz IXIVFFWJPMDTIQ-KGLIPLIRSA-N 1 2 288.347 1.475 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279721740 374952300 /nfs/dbraw/zinc/95/23/00/374952300.db2.gz IXIVFFWJPMDTIQ-KGLIPLIRSA-N 1 2 288.347 1.475 20 30 CDEDLO C[C@H](O)[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000162754137 375507052 /nfs/dbraw/zinc/50/70/52/375507052.db2.gz YGZIRODCQOGIIT-GXSJLCMTSA-N 1 2 279.365 1.261 20 30 CDEDLO C[C@H](O)[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000162754137 375507057 /nfs/dbraw/zinc/50/70/57/375507057.db2.gz YGZIRODCQOGIIT-GXSJLCMTSA-N 1 2 279.365 1.261 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000123593515 375845946 /nfs/dbraw/zinc/84/59/46/375845946.db2.gz QFNHGWFEDOJEEJ-ZDUSSCGKSA-N 1 2 266.385 1.592 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2nc(C)cs2)CC1 ZINC000047890795 375855063 /nfs/dbraw/zinc/85/50/63/375855063.db2.gz CPNHNLMJUHLCJN-LBPRGKRZSA-N 1 2 294.424 1.264 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000123593684 375855413 /nfs/dbraw/zinc/85/54/13/375855413.db2.gz QFNHGWFEDOJEEJ-CYBMUJFWSA-N 1 2 266.385 1.592 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000193858520 375902838 /nfs/dbraw/zinc/90/28/38/375902838.db2.gz VATSISAKLUBVDB-RYUDHWBXSA-N 1 2 262.357 1.280 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000193858520 375902845 /nfs/dbraw/zinc/90/28/45/375902845.db2.gz VATSISAKLUBVDB-RYUDHWBXSA-N 1 2 262.357 1.280 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H](C)CC(=O)N1 ZINC000328790849 375970949 /nfs/dbraw/zinc/97/09/49/375970949.db2.gz YZSQCERJZQMFEX-SRVKXCTJSA-N 1 2 283.372 1.419 20 30 CDEDLO CC(C)(CNC(=O)NCC1(C#N)CCC1)[NH+]1CCOCC1 ZINC000419398873 376133190 /nfs/dbraw/zinc/13/31/90/376133190.db2.gz ICFUWQBDDOSXDN-UHFFFAOYSA-N 1 2 294.399 1.090 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246474285 376869427 /nfs/dbraw/zinc/86/94/27/376869427.db2.gz MUSHBUYTYRDIRY-YOEHRIQHSA-N 1 2 286.375 1.372 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246474285 376869435 /nfs/dbraw/zinc/86/94/35/376869435.db2.gz MUSHBUYTYRDIRY-YOEHRIQHSA-N 1 2 286.375 1.372 20 30 CDEDLO C=CCN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000161461142 377221834 /nfs/dbraw/zinc/22/18/34/377221834.db2.gz FCLOIOHBKDBZKJ-MRXNPFEDSA-N 1 2 287.407 1.620 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1Cc1cccc(C#N)c1 ZINC000172022389 377235855 /nfs/dbraw/zinc/23/58/55/377235855.db2.gz AOAIHWDHERXEFV-KBPBESRZSA-N 1 2 274.320 1.321 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cccc(C#N)c1 ZINC000172022389 377235863 /nfs/dbraw/zinc/23/58/63/377235863.db2.gz AOAIHWDHERXEFV-KBPBESRZSA-N 1 2 274.320 1.321 20 30 CDEDLO C=CCCCCCN(C)C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632542131 377582027 /nfs/dbraw/zinc/58/20/27/377582027.db2.gz OTTYACGKNIODFS-UHFFFAOYSA-N 1 2 292.383 1.573 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000190132473 377751108 /nfs/dbraw/zinc/75/11/08/377751108.db2.gz TWSWXKSZWUAXAF-BXUZGUMPSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000190132473 377751115 /nfs/dbraw/zinc/75/11/15/377751115.db2.gz TWSWXKSZWUAXAF-BXUZGUMPSA-N 1 2 276.336 1.148 20 30 CDEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccoc1 ZINC000345096343 377837273 /nfs/dbraw/zinc/83/72/73/377837273.db2.gz MQYGXFITYVJATR-AWEZNQCLSA-N 1 2 261.325 1.520 20 30 CDEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccoc1 ZINC000345096343 377837279 /nfs/dbraw/zinc/83/72/79/377837279.db2.gz MQYGXFITYVJATR-AWEZNQCLSA-N 1 2 261.325 1.520 20 30 CDEDLO C=CCOCC[N@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425511572 377868227 /nfs/dbraw/zinc/86/82/27/377868227.db2.gz OATLAVZFDJMGOT-BETUJISGSA-N 1 2 297.301 1.991 20 30 CDEDLO C=CCOCC[N@@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425511572 377868236 /nfs/dbraw/zinc/86/82/36/377868236.db2.gz OATLAVZFDJMGOT-BETUJISGSA-N 1 2 297.301 1.991 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CCOc2cc[nH+]cc21 ZINC000280481165 377956281 /nfs/dbraw/zinc/95/62/81/377956281.db2.gz ALAJWVWDVVXAEN-UHFFFAOYSA-N 1 2 254.311 1.186 20 30 CDEDLO C#Cc1cccc(NC(=O)[C@H](c2c[nH+]cn2C)N(C)C)c1 ZINC000280700662 377972088 /nfs/dbraw/zinc/97/20/88/377972088.db2.gz FFIRLPNKWXCSAT-HNNXBMFYSA-N 1 2 282.347 1.643 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]([C@H](CC)C(=O)OCC)C2CC2)C1=O ZINC000281178202 377990829 /nfs/dbraw/zinc/99/08/29/377990829.db2.gz ASZJNTHGVUJTCH-ZIAGYGMSSA-N 1 2 294.395 1.579 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]([C@H](CC)C(=O)OCC)C2CC2)C1=O ZINC000281178202 377990833 /nfs/dbraw/zinc/99/08/33/377990833.db2.gz ASZJNTHGVUJTCH-ZIAGYGMSSA-N 1 2 294.395 1.579 20 30 CDEDLO C#CC[NH+]1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000136139503 378312332 /nfs/dbraw/zinc/31/23/32/378312332.db2.gz TXTCVUNEZHYVST-UHFFFAOYSA-N 1 2 275.327 1.015 20 30 CDEDLO C=CCC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289563104 378337683 /nfs/dbraw/zinc/33/76/83/378337683.db2.gz YAMSPNOWWBTXTM-UHFFFAOYSA-N 1 2 279.365 1.235 20 30 CDEDLO C=CCC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289563104 378337690 /nfs/dbraw/zinc/33/76/90/378337690.db2.gz YAMSPNOWWBTXTM-UHFFFAOYSA-N 1 2 279.365 1.235 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCc1ccccc1COCC ZINC000293008247 378532422 /nfs/dbraw/zinc/53/24/22/378532422.db2.gz DIHDZFLEUPGFCF-UHFFFAOYSA-N 1 2 288.391 1.794 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCc1ccccc1COCC ZINC000293008247 378532428 /nfs/dbraw/zinc/53/24/28/378532428.db2.gz DIHDZFLEUPGFCF-UHFFFAOYSA-N 1 2 288.391 1.794 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000293014659 378533048 /nfs/dbraw/zinc/53/30/48/378533048.db2.gz DXVLJLOPSAMPEG-UHFFFAOYSA-N 1 2 287.363 1.282 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000293014659 378533054 /nfs/dbraw/zinc/53/30/54/378533054.db2.gz DXVLJLOPSAMPEG-UHFFFAOYSA-N 1 2 287.363 1.282 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000343919972 379019524 /nfs/dbraw/zinc/01/95/24/379019524.db2.gz XXCKHWZFXDZZLQ-OAHLLOKOSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000343919972 379019528 /nfs/dbraw/zinc/01/95/28/379019528.db2.gz XXCKHWZFXDZZLQ-OAHLLOKOSA-N 1 2 268.401 1.816 20 30 CDEDLO N#Cc1ccc(/C=C\C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000490982482 253057675 /nfs/dbraw/zinc/05/76/75/253057675.db2.gz MSMYATWWBVASEY-SREVYHEPSA-N 1 2 280.331 1.974 20 30 CDEDLO CCO/C=C\C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000492798005 253297295 /nfs/dbraw/zinc/29/72/95/253297295.db2.gz SHFHOYQHMUHBLL-GHXNOFRVSA-N 1 2 299.374 1.753 20 30 CDEDLO C=CCN1CC[C@H](N(C)Cc2[nH+]ccn2C(C)C)C1=O ZINC000281287595 195182216 /nfs/dbraw/zinc/18/22/16/195182216.db2.gz JBMHYMWYGDSKCG-ZDUSSCGKSA-N 1 2 276.384 1.683 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](CC)C(=O)OC(C)(C)C)C1=O ZINC000281319121 195195458 /nfs/dbraw/zinc/19/54/58/195195458.db2.gz LBDXOEIKMWCDSY-QWHCGFSZSA-N 1 2 296.411 1.825 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](CC)C(=O)OC(C)(C)C)C1=O ZINC000281319121 195195460 /nfs/dbraw/zinc/19/54/60/195195460.db2.gz LBDXOEIKMWCDSY-QWHCGFSZSA-N 1 2 296.411 1.825 20 30 CDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2cccc(C#N)c2)[C@H](C)C1 ZINC000285292381 285329125 /nfs/dbraw/zinc/32/91/25/285329125.db2.gz KKDGORGYKZSVFT-GFCCVEGCSA-N 1 2 293.392 1.273 20 30 CDEDLO CC[N@H+]1CCN(S(=O)(=O)c2cccc(C#N)c2)[C@H](C)C1 ZINC000285292381 285329133 /nfs/dbraw/zinc/32/91/33/285329133.db2.gz KKDGORGYKZSVFT-GFCCVEGCSA-N 1 2 293.392 1.273 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000299378136 390428296 /nfs/dbraw/zinc/42/82/96/390428296.db2.gz SKTGXFIWFXCCIZ-CYBMUJFWSA-N 1 2 286.400 1.590 20 30 CDEDLO C=CCCn1cc(C(=O)NCCCCn2cc[nH+]c2)nn1 ZINC000568384576 390488178 /nfs/dbraw/zinc/48/81/78/390488178.db2.gz OWMDZWJSXYJFPC-UHFFFAOYSA-N 1 2 288.355 1.261 20 30 CDEDLO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2ccc(C#N)cn2)cn1 ZINC000551059561 390543676 /nfs/dbraw/zinc/54/36/76/390543676.db2.gz KKONLRZBVUEDIY-HNNXBMFYSA-N 1 2 299.403 1.977 20 30 CDEDLO Cn1cc([C@@H]2CSCC[N@H+]2Cc2ccc(C#N)cn2)cn1 ZINC000551059561 390543678 /nfs/dbraw/zinc/54/36/78/390543678.db2.gz KKONLRZBVUEDIY-HNNXBMFYSA-N 1 2 299.403 1.977 20 30 CDEDLO NC(=[NH+]OCC(=O)N1CCCCCC1)c1ccc(F)cc1 ZINC000050513263 390812579 /nfs/dbraw/zinc/81/25/79/390812579.db2.gz JWWAQSPLKQFKKR-UHFFFAOYSA-N 1 2 293.342 1.865 20 30 CDEDLO C[C@@H](O[NH+]=C(N)CCO)C(=O)N1c2ccccc2C[C@@H]1C ZINC000136070139 390941044 /nfs/dbraw/zinc/94/10/44/390941044.db2.gz ZRKAGDADBNAXLC-WDEREUQCSA-N 1 2 291.351 1.024 20 30 CDEDLO CCOC(=O)[C@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000154953148 390916753 /nfs/dbraw/zinc/91/67/53/390916753.db2.gz WBQDKGQQALTQTC-OLZOCXBDSA-N 1 2 263.341 1.705 20 30 CDEDLO CCOC(=O)[C@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000154953148 390916755 /nfs/dbraw/zinc/91/67/55/390916755.db2.gz WBQDKGQQALTQTC-OLZOCXBDSA-N 1 2 263.341 1.705 20 30 CDEDLO C#CC[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000192239436 390956640 /nfs/dbraw/zinc/95/66/40/390956640.db2.gz VCBNUBZUDGYBJS-CYBMUJFWSA-N 1 2 273.292 1.265 20 30 CDEDLO C#CC[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000192239436 390956641 /nfs/dbraw/zinc/95/66/41/390956641.db2.gz VCBNUBZUDGYBJS-CYBMUJFWSA-N 1 2 273.292 1.265 20 30 CDEDLO CC#CC[N@@H+](C)[C@H]1CCN(c2ccccc2OC)C1=O ZINC000293334390 391026958 /nfs/dbraw/zinc/02/69/58/391026958.db2.gz YGJABAFKHPLXQF-AWEZNQCLSA-N 1 2 272.348 1.756 20 30 CDEDLO CC#CC[N@H+](C)[C@H]1CCN(c2ccccc2OC)C1=O ZINC000293334390 391026964 /nfs/dbraw/zinc/02/69/64/391026964.db2.gz YGJABAFKHPLXQF-AWEZNQCLSA-N 1 2 272.348 1.756 20 30 CDEDLO Cc1c[nH+]ccc1NC(=O)NC[C@H]1CCCCS1(=O)=O ZINC000329501571 391000215 /nfs/dbraw/zinc/00/02/15/391000215.db2.gz GHMGGYITSPWSPN-LLVKDONJSA-N 1 2 297.380 1.105 20 30 CDEDLO CC[C@@]1(O)CCN(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000329500372 391000389 /nfs/dbraw/zinc/00/03/89/391000389.db2.gz HITDCCYWVXAPRK-CQSZACIVSA-N 1 2 274.324 1.727 20 30 CDEDLO O=C(NCc1nc(CO)cs1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000329510685 391001166 /nfs/dbraw/zinc/00/11/66/391001166.db2.gz MSJBWUDUVZCGMW-ZDUSSCGKSA-N 1 2 295.408 1.966 20 30 CDEDLO C#CCO[C@H](C)C(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000295416858 391054901 /nfs/dbraw/zinc/05/49/01/391054901.db2.gz LRSHZWOXKNKGPK-UKRRQHHQSA-N 1 2 297.358 1.996 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1C(C)(C)C ZINC000330628967 391056515 /nfs/dbraw/zinc/05/65/15/391056515.db2.gz ZZTCEYXCQATOMB-NSHDSACASA-N 1 2 267.373 1.713 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000330628967 391056526 /nfs/dbraw/zinc/05/65/26/391056526.db2.gz ZZTCEYXCQATOMB-NSHDSACASA-N 1 2 267.373 1.713 20 30 CDEDLO C#C[C@H](C)NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296991962 391063350 /nfs/dbraw/zinc/06/33/50/391063350.db2.gz UMIUDRIULCQTAJ-QWRGUYRKSA-N 1 2 260.341 1.534 20 30 CDEDLO COC(=O)c1cc(C[N@H+](C)CC(C)(C)C#N)cn1C ZINC000354016809 391063508 /nfs/dbraw/zinc/06/35/08/391063508.db2.gz DBYATLJQODEVRB-UHFFFAOYSA-N 1 2 263.341 1.793 20 30 CDEDLO COC(=O)c1cc(C[N@@H+](C)CC(C)(C)C#N)cn1C ZINC000354016809 391063512 /nfs/dbraw/zinc/06/35/12/391063512.db2.gz DBYATLJQODEVRB-UHFFFAOYSA-N 1 2 263.341 1.793 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000373494949 391121532 /nfs/dbraw/zinc/12/15/32/391121532.db2.gz DLGQSPXIYJWHGG-GDBMZVCRSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000373494949 391121533 /nfs/dbraw/zinc/12/15/33/391121533.db2.gz DLGQSPXIYJWHGG-GDBMZVCRSA-N 1 2 296.411 1.291 20 30 CDEDLO C=CCSCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373586218 391124042 /nfs/dbraw/zinc/12/40/42/391124042.db2.gz RAYOCSZRGKDLCV-LLVKDONJSA-N 1 2 265.382 1.481 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000334090600 391134812 /nfs/dbraw/zinc/13/48/12/391134812.db2.gz NYLMFRNWQONEQB-UPJWGTAASA-N 1 2 290.367 1.990 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](O)COc1ccc(C)cc1C ZINC000491475243 391141838 /nfs/dbraw/zinc/14/18/38/391141838.db2.gz VAOANTUNRZZELF-JKSUJKDBSA-N 1 2 289.375 1.377 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](O)COc1ccc(C)cc1C ZINC000491475243 391141840 /nfs/dbraw/zinc/14/18/40/391141840.db2.gz VAOANTUNRZZELF-JKSUJKDBSA-N 1 2 289.375 1.377 20 30 CDEDLO Cc1ccn2cc(CNC(=O)C3(C#N)CCC3)[nH+]c2c1 ZINC000265455991 391156204 /nfs/dbraw/zinc/15/62/04/391156204.db2.gz QMJITIHWPMTPDO-UHFFFAOYSA-N 1 2 268.320 1.953 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCCCC[C@@H]2C(=O)OC)C1=O ZINC000374158298 391151590 /nfs/dbraw/zinc/15/15/90/391151590.db2.gz CDPJADOLMUFJAI-QWHCGFSZSA-N 1 2 280.368 1.191 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCCCC[C@@H]2C(=O)OC)C1=O ZINC000374158298 391151591 /nfs/dbraw/zinc/15/15/91/391151591.db2.gz CDPJADOLMUFJAI-QWHCGFSZSA-N 1 2 280.368 1.191 20 30 CDEDLO Cc1cc(CO[NH+]=C(N)[C@H](C)OCC(C)C)no1 ZINC000266208243 391171949 /nfs/dbraw/zinc/17/19/49/391171949.db2.gz NGPJTJHOSBXSLO-JTQLQIEISA-N 1 2 255.318 1.833 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@H](COC)c1ccco1 ZINC000184512712 129327479 /nfs/dbraw/zinc/32/74/79/129327479.db2.gz TWOIFGCKQAGUJA-GHMZBOCLSA-N 1 2 252.314 1.247 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000268572378 391219446 /nfs/dbraw/zinc/21/94/46/391219446.db2.gz RMCXZIHDDMDTRL-QWHCGFSZSA-N 1 2 287.363 1.999 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000268572378 391219447 /nfs/dbraw/zinc/21/94/47/391219447.db2.gz RMCXZIHDDMDTRL-QWHCGFSZSA-N 1 2 287.363 1.999 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CCCS(=O)(=O)c1ccccc1OC ZINC000491734532 391247855 /nfs/dbraw/zinc/24/78/55/391247855.db2.gz JGAWTYVWWDUJFM-ZDUSSCGKSA-N 1 2 295.404 1.813 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CCCS(=O)(=O)c1ccccc1OC ZINC000491734532 391247856 /nfs/dbraw/zinc/24/78/56/391247856.db2.gz JGAWTYVWWDUJFM-ZDUSSCGKSA-N 1 2 295.404 1.813 20 30 CDEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)C[C@@H](C)O1 ZINC000338344054 391197765 /nfs/dbraw/zinc/19/77/65/391197765.db2.gz OMDZXZJPHOVVSB-IUODEOHRSA-N 1 2 288.347 1.515 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)C[C@@H](C)O1 ZINC000338344054 391197766 /nfs/dbraw/zinc/19/77/66/391197766.db2.gz OMDZXZJPHOVVSB-IUODEOHRSA-N 1 2 288.347 1.515 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000375917732 391206004 /nfs/dbraw/zinc/20/60/04/391206004.db2.gz SBUWEWWFJUGOAP-DZGCQCFKSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000375917732 391206007 /nfs/dbraw/zinc/20/60/07/391206007.db2.gz SBUWEWWFJUGOAP-DZGCQCFKSA-N 1 2 280.412 1.910 20 30 CDEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1ncc(C)s1 ZINC000185037133 391283946 /nfs/dbraw/zinc/28/39/46/391283946.db2.gz QGWXCZYVMZHWRC-LLVKDONJSA-N 1 2 280.397 1.864 20 30 CDEDLO C=CC[N@H+]1CCc2ccc(S(C)(=O)=O)cc2CC1 ZINC000336381372 391325039 /nfs/dbraw/zinc/32/50/39/391325039.db2.gz XMQUDWXTKCIFFQ-UHFFFAOYSA-N 1 2 265.378 1.677 20 30 CDEDLO C=CC[N@@H+]1CCc2ccc(S(C)(=O)=O)cc2CC1 ZINC000336381372 391325040 /nfs/dbraw/zinc/32/50/40/391325040.db2.gz XMQUDWXTKCIFFQ-UHFFFAOYSA-N 1 2 265.378 1.677 20 30 CDEDLO C=C(C)CNC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000416699150 391328637 /nfs/dbraw/zinc/32/86/37/391328637.db2.gz FVMRPBZBJZXXFO-UHFFFAOYSA-N 1 2 284.363 1.944 20 30 CDEDLO CCc1nc([C@H](C)NC(=O)[C@@H](C)N2CC[NH+](C)CC2)n[nH]1 ZINC000328918949 391393935 /nfs/dbraw/zinc/39/39/35/391393935.db2.gz ALYKXLPPQLETGZ-WDEREUQCSA-N 1 2 294.403 1.021 20 30 CDEDLO CC[C@@H]1COCCN1C([O-])=[NH+]CCCn1cc[nH+]c1C ZINC000330419151 391420087 /nfs/dbraw/zinc/42/00/87/391420087.db2.gz CIEREDAWOXAQCV-CYBMUJFWSA-N 1 2 280.372 1.606 20 30 CDEDLO CC[C@H](C(=O)N(C)[C@H](C)CC#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000330451478 391423926 /nfs/dbraw/zinc/42/39/26/391423926.db2.gz KGTWFQLLPNZNFQ-MGPQQGTHSA-N 1 2 281.400 1.636 20 30 CDEDLO CC[C@H](C(=O)N(C)[C@H](C)CC#N)[N@H+]1CCO[C@H](CC)C1 ZINC000330451478 391423930 /nfs/dbraw/zinc/42/39/30/391423930.db2.gz KGTWFQLLPNZNFQ-MGPQQGTHSA-N 1 2 281.400 1.636 20 30 CDEDLO COCCCn1nccc1C[NH+]1CCC(F)(C#N)CC1 ZINC000348667707 391450422 /nfs/dbraw/zinc/45/04/22/391450422.db2.gz DLTBLSWZWJIDJT-UHFFFAOYSA-N 1 2 280.347 1.747 20 30 CDEDLO CC[C@H](CO)NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000330666529 391457683 /nfs/dbraw/zinc/45/76/83/391457683.db2.gz SCIBAFWKSLMMJR-VXGBXAGGSA-N 1 2 280.372 1.343 20 30 CDEDLO N#CCC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000355658218 391462914 /nfs/dbraw/zinc/46/29/14/391462914.db2.gz OZICOYHZUJAJEL-UHFFFAOYSA-N 1 2 293.124 1.627 20 30 CDEDLO Cc1[nH+]ccn1CCC[NH+]=C([O-])N1CCSC[C@H]1C ZINC000330394600 391415038 /nfs/dbraw/zinc/41/50/38/391415038.db2.gz LXWDOHYITGSBAU-LLVKDONJSA-N 1 2 282.413 1.933 20 30 CDEDLO C[C@H](C#N)CN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000366284760 391508940 /nfs/dbraw/zinc/50/89/40/391508940.db2.gz OUPDDEUOHWHQIG-TZMCWYRMSA-N 1 2 279.384 1.248 20 30 CDEDLO C[C@H](C#N)CN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000366284760 391508946 /nfs/dbraw/zinc/50/89/46/391508946.db2.gz OUPDDEUOHWHQIG-TZMCWYRMSA-N 1 2 279.384 1.248 20 30 CDEDLO CC(C)(CCC#N)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000360425551 391659823 /nfs/dbraw/zinc/65/98/23/391659823.db2.gz OZJSKOUJBDTNMC-UHFFFAOYSA-N 1 2 281.400 1.543 20 30 CDEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3cccs3)CC2)C1=O ZINC000282094951 391671027 /nfs/dbraw/zinc/67/10/27/391671027.db2.gz VOTVZJJGDAGZKW-CYBMUJFWSA-N 1 2 291.420 1.657 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000093331789 391679450 /nfs/dbraw/zinc/67/94/50/391679450.db2.gz ZXSUYTHSUCYTFL-LLVKDONJSA-N 1 2 281.153 1.541 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000093331789 391679454 /nfs/dbraw/zinc/67/94/54/391679454.db2.gz ZXSUYTHSUCYTFL-LLVKDONJSA-N 1 2 281.153 1.541 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)Nc2n[nH]c(-c3ccco3)n2)CC1 ZINC000098093171 391725411 /nfs/dbraw/zinc/72/54/11/391725411.db2.gz JUKVSFNMWWOAFG-UHFFFAOYSA-N 1 2 299.334 1.348 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3ccco3)n[nH]2)CC1 ZINC000098093171 391725420 /nfs/dbraw/zinc/72/54/20/391725420.db2.gz JUKVSFNMWWOAFG-UHFFFAOYSA-N 1 2 299.334 1.348 20 30 CDEDLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191198532 130200785 /nfs/dbraw/zinc/20/07/85/130200785.db2.gz ONLRIXFPEPXKQF-ZDUSSCGKSA-N 1 2 261.325 1.424 20 30 CDEDLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191198532 130200788 /nfs/dbraw/zinc/20/07/88/130200788.db2.gz ONLRIXFPEPXKQF-ZDUSSCGKSA-N 1 2 261.325 1.424 20 30 CDEDLO C[C@@]1(C(=O)NCC2([NH+]3CCOCC3)CC2)CCCOC1 ZINC000329901272 391796907 /nfs/dbraw/zinc/79/69/07/391796907.db2.gz GUDVYPMWWAQHHR-CQSZACIVSA-N 1 2 282.384 1.624 20 30 CDEDLO CCN1CC[N@H+](CCOc2cccc(C#N)c2)[C@H](C)C1=O ZINC000495264952 391908032 /nfs/dbraw/zinc/90/80/32/391908032.db2.gz ZHJPGCDDGQRORL-CYBMUJFWSA-N 1 2 287.363 1.490 20 30 CDEDLO CCN1CC[N@@H+](CCOc2cccc(C#N)c2)[C@H](C)C1=O ZINC000495264952 391908040 /nfs/dbraw/zinc/90/80/40/391908040.db2.gz ZHJPGCDDGQRORL-CYBMUJFWSA-N 1 2 287.363 1.490 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000408323155 391920050 /nfs/dbraw/zinc/92/00/50/391920050.db2.gz XZIMMGGGDCIKKQ-IUODEOHRSA-N 1 2 281.400 1.540 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000408323155 391920058 /nfs/dbraw/zinc/92/00/58/391920058.db2.gz XZIMMGGGDCIKKQ-IUODEOHRSA-N 1 2 281.400 1.540 20 30 CDEDLO Cn1ccc(N2CCC[C@H]([NH+]3CCC(C#N)CC3)C2=O)n1 ZINC000173586841 392435825 /nfs/dbraw/zinc/43/58/25/392435825.db2.gz AESQEBTYRIAHOX-ZDUSSCGKSA-N 1 2 287.367 1.151 20 30 CDEDLO CCNC(=O)C(C)(C)[NH2+]Cc1ccc(F)cc1C#N ZINC000459562064 392467586 /nfs/dbraw/zinc/46/75/86/392467586.db2.gz NZTYTFSGTJTBPR-UHFFFAOYSA-N 1 2 263.316 1.702 20 30 CDEDLO COc1cccc(CCNc2cc(C)[nH+]cc2C#N)n1 ZINC000425241349 393002194 /nfs/dbraw/zinc/00/21/94/393002194.db2.gz PZSHSJQCACZLHV-UHFFFAOYSA-N 1 2 268.320 1.742 20 30 CDEDLO Cc1cc(NC[C@@](C)(O)C(F)(F)F)c(C#N)c[nH+]1 ZINC000425248019 393003497 /nfs/dbraw/zinc/00/34/97/393003497.db2.gz QAEFQVWDNGDERS-SNVBAGLBSA-N 1 2 259.231 1.409 20 30 CDEDLO CN(C)c1[nH+]cc(CN(C)Cc2ccc(C#N)cc2)n1C ZINC000425330511 393019024 /nfs/dbraw/zinc/01/90/24/393019024.db2.gz VZHFCEKEPQWBEV-UHFFFAOYSA-N 1 2 283.379 1.990 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000374560120 393053541 /nfs/dbraw/zinc/05/35/41/393053541.db2.gz OEBCJWCWYSYUHX-CYBMUJFWSA-N 1 2 257.293 1.195 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000374560120 393053544 /nfs/dbraw/zinc/05/35/44/393053544.db2.gz OEBCJWCWYSYUHX-CYBMUJFWSA-N 1 2 257.293 1.195 20 30 CDEDLO CC[N@H+](CCS(C)(=O)=O)Cc1ccc(F)c(C#N)c1 ZINC000154181436 393112962 /nfs/dbraw/zinc/11/29/62/393112962.db2.gz XKBCAHSHNDMKRR-UHFFFAOYSA-N 1 2 284.356 1.564 20 30 CDEDLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccc(F)c(C#N)c1 ZINC000154181436 393112967 /nfs/dbraw/zinc/11/29/67/393112967.db2.gz XKBCAHSHNDMKRR-UHFFFAOYSA-N 1 2 284.356 1.564 20 30 CDEDLO N#CCN(CC#N)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000346782540 397644261 /nfs/dbraw/zinc/64/42/61/397644261.db2.gz XRIFRABKACQLJX-UHFFFAOYSA-N 1 2 265.276 1.362 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)cc1C#N ZINC000187415679 397926448 /nfs/dbraw/zinc/92/64/48/397926448.db2.gz GSELVPXWDOMNSW-FZMZJTMJSA-N 1 2 287.363 1.653 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@H](C)C[C@H]2C(N)=O)cc1C#N ZINC000187415679 397926451 /nfs/dbraw/zinc/92/64/51/397926451.db2.gz GSELVPXWDOMNSW-FZMZJTMJSA-N 1 2 287.363 1.653 20 30 CDEDLO CC(=O)NC[C@H]1C[N@H+](Cc2ccc(C#N)c(C)c2)CCO1 ZINC000488426987 398126408 /nfs/dbraw/zinc/12/64/08/398126408.db2.gz UIWSEFYIGRGNLQ-INIZCTEOSA-N 1 2 287.363 1.204 20 30 CDEDLO CC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C#N)c(C)c2)CCO1 ZINC000488426987 398126412 /nfs/dbraw/zinc/12/64/12/398126412.db2.gz UIWSEFYIGRGNLQ-INIZCTEOSA-N 1 2 287.363 1.204 20 30 CDEDLO Cc1cc(N2CCN(c3cccc[nH+]3)CC2)cc(C#N)n1 ZINC000308269408 149185211 /nfs/dbraw/zinc/18/52/11/149185211.db2.gz DYQWEFJXKDGZDU-UHFFFAOYSA-N 1 2 279.347 1.983 20 30 CDEDLO Cc1ccnc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c1C#N ZINC000343503392 152204520 /nfs/dbraw/zinc/20/45/20/152204520.db2.gz APMJCSJGCCGKSW-STQMWFEESA-N 1 2 274.368 1.783 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCc2ccccc2)nn1 ZINC000656441630 413274446 /nfs/dbraw/zinc/27/44/46/413274446.db2.gz JNLWJNAJSNDAQX-UHFFFAOYSA-N 1 2 254.337 1.634 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@@H]2CCCOC2)c(C#N)c1C ZINC000352195614 155014193 /nfs/dbraw/zinc/01/41/93/155014193.db2.gz RZIRRHGIEWMHQL-GFCCVEGCSA-N 1 2 291.351 1.817 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+](C)[C@@H]2CCCOC2)c(C#N)c1C ZINC000352195614 155014197 /nfs/dbraw/zinc/01/41/97/155014197.db2.gz RZIRRHGIEWMHQL-GFCCVEGCSA-N 1 2 291.351 1.817 20 30 CDEDLO N#Cc1ccc(CN2CCN(Cc3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000353921057 156161784 /nfs/dbraw/zinc/16/17/84/156161784.db2.gz CVVHYKZBBYHDHD-UHFFFAOYSA-N 1 2 299.353 1.738 20 30 CDEDLO Cn1cc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)cc1C#N ZINC000373821413 160230060 /nfs/dbraw/zinc/23/00/60/160230060.db2.gz LMNQYKJORFORAR-HUUCEWRRSA-N 1 2 287.363 1.467 20 30 CDEDLO Cn1cc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)cc1C#N ZINC000373821413 160230061 /nfs/dbraw/zinc/23/00/61/160230061.db2.gz LMNQYKJORFORAR-HUUCEWRRSA-N 1 2 287.363 1.467 20 30 CDEDLO C[C@@H]1COCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000374368980 160278833 /nfs/dbraw/zinc/27/88/33/160278833.db2.gz XDCKAJVUMLSPFC-LBPRGKRZSA-N 1 2 273.336 1.465 20 30 CDEDLO C[C@@H]1COCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000374368980 160278834 /nfs/dbraw/zinc/27/88/34/160278834.db2.gz XDCKAJVUMLSPFC-LBPRGKRZSA-N 1 2 273.336 1.465 20 30 CDEDLO C=CC[C@H]1CCCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000660856235 413581707 /nfs/dbraw/zinc/58/17/07/413581707.db2.gz GNGDSYKDNBXCJX-CABCVRRESA-N 1 2 295.427 1.705 20 30 CDEDLO C=CC[C@H]1CCCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000660856235 413581715 /nfs/dbraw/zinc/58/17/15/413581715.db2.gz GNGDSYKDNBXCJX-CABCVRRESA-N 1 2 295.427 1.705 20 30 CDEDLO C=CC[N@H+](CC(=O)N(C)c1nccs1)[C@H](C)COC ZINC000661244659 413917488 /nfs/dbraw/zinc/91/74/88/413917488.db2.gz XDZVFVMUTHMEJJ-LLVKDONJSA-N 1 2 283.397 1.629 20 30 CDEDLO C=CC[N@@H+](CC(=O)N(C)c1nccs1)[C@H](C)COC ZINC000661244659 413917491 /nfs/dbraw/zinc/91/74/91/413917491.db2.gz XDZVFVMUTHMEJJ-LLVKDONJSA-N 1 2 283.397 1.629 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1nc(-c2ccc(OC)cc2)no1 ZINC000662167491 414548506 /nfs/dbraw/zinc/54/85/06/414548506.db2.gz GKKVYEFPGMBWRS-LLVKDONJSA-N 1 2 275.308 1.382 20 30 CDEDLO C=C(Cl)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000040479512 174283726 /nfs/dbraw/zinc/28/37/26/174283726.db2.gz XTDBNHNFGRODSE-UHFFFAOYSA-N 1 2 251.761 1.952 20 30 CDEDLO CCC(C#N)(CC)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000044766635 175249367 /nfs/dbraw/zinc/24/93/67/175249367.db2.gz ASMBVDRIIHVSHD-GFCCVEGCSA-N 1 2 267.373 1.153 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N[C@H]1CCOc2ccccc21 ZINC000076186038 176949181 /nfs/dbraw/zinc/94/91/81/176949181.db2.gz DNVTUCJGHYNLLN-HNNXBMFYSA-N 1 2 282.343 1.195 20 30 CDEDLO C#CC[NH+]1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000077022973 177153673 /nfs/dbraw/zinc/15/36/73/177153673.db2.gz ZJQAWFNPHGJEGN-CYBMUJFWSA-N 1 2 289.354 1.404 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000330053030 228027789 /nfs/dbraw/zinc/02/77/89/228027789.db2.gz PXOMIMHBQDEOKF-SECBINFHSA-N 1 2 250.302 1.043 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000333398492 228199844 /nfs/dbraw/zinc/19/98/44/228199844.db2.gz NKXQQJGCOPBZPQ-WDEREUQCSA-N 1 2 259.313 1.101 20 30 CDEDLO N#CCC1(O)C[NH+](CCSCc2ccccc2)C1 ZINC000192640848 228207230 /nfs/dbraw/zinc/20/72/30/228207230.db2.gz PEPJSWLZPJHZCL-UHFFFAOYSA-N 1 2 262.378 1.880 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COCC1CCCC1 ZINC000517748630 260042918 /nfs/dbraw/zinc/04/29/18/260042918.db2.gz ZQMZFGSSUYWDCR-AWEZNQCLSA-N 1 2 267.373 1.153 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CCNc1ccnc(C#N)n1 ZINC000521320981 260044047 /nfs/dbraw/zinc/04/40/47/260044047.db2.gz WGXQHXUQMVJASO-UHFFFAOYSA-N 1 2 278.319 1.540 20 30 CDEDLO C#CC[NH+]1CCN(CN2CC(CC)(CC)OC2=O)CC1 ZINC000180228966 260096062 /nfs/dbraw/zinc/09/60/62/260096062.db2.gz NFSKNXYOYOWKDY-UHFFFAOYSA-N 1 2 279.384 1.206 20 30 CDEDLO CCNC(=O)CO[NH+]=C(N)Cc1ccccc1Cl ZINC000058497968 260227545 /nfs/dbraw/zinc/22/75/45/260227545.db2.gz JRJORRQVVQLVJN-UHFFFAOYSA-N 1 2 269.732 1.307 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)CSCC#N)CCC2 ZINC000371255210 260865421 /nfs/dbraw/zinc/86/54/21/260865421.db2.gz FLPMGFPQHZAZOV-NSHDSACASA-N 1 2 278.381 1.442 20 30 CDEDLO CC1CCN(c2ccc(CNC(=O)CC#N)c[nH+]2)CC1 ZINC000153595339 261080874 /nfs/dbraw/zinc/08/08/74/261080874.db2.gz ZJRLKFXITTZHJN-UHFFFAOYSA-N 1 2 272.352 1.848 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)OCCCC(=O)CC)CC1 ZINC000490840953 261224044 /nfs/dbraw/zinc/22/40/44/261224044.db2.gz QPIHZWCMSSJOHN-UHFFFAOYSA-N 1 2 265.353 1.634 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCC2OCCO2)ccc1F ZINC000194627743 262240273 /nfs/dbraw/zinc/24/02/73/262240273.db2.gz UOVSOWMMUDDOSW-UHFFFAOYSA-N 1 2 254.261 1.144 20 30 CDEDLO Cc1ccc2[nH+]c(CNC(=O)NCCCC#N)cn2c1 ZINC000273145794 263013352 /nfs/dbraw/zinc/01/33/52/263013352.db2.gz WLQGIDAAHJDTAX-UHFFFAOYSA-N 1 2 271.324 1.746 20 30 CDEDLO C[C@@H]1C[N@H+](CCOc2ccccc2C#N)CC[S@@](=O)C1 ZINC000277573242 263042161 /nfs/dbraw/zinc/04/21/61/263042161.db2.gz VFADCKKWAMQWRZ-ZUOKHONESA-N 1 2 292.404 1.637 20 30 CDEDLO C[C@@H]1C[N@@H+](CCOc2ccccc2C#N)CC[S@@](=O)C1 ZINC000277573242 263042162 /nfs/dbraw/zinc/04/21/62/263042162.db2.gz VFADCKKWAMQWRZ-ZUOKHONESA-N 1 2 292.404 1.637 20 30 CDEDLO C#CC[N@@H+](CC(=O)N(CC)CCC#N)Cc1ccccc1 ZINC000285483861 263093257 /nfs/dbraw/zinc/09/32/57/263093257.db2.gz BVQHLIVLMZOHIN-UHFFFAOYSA-N 1 2 283.375 1.884 20 30 CDEDLO C#CC[N@H+](CC(=O)N(CC)CCC#N)Cc1ccccc1 ZINC000285483861 263093258 /nfs/dbraw/zinc/09/32/58/263093258.db2.gz BVQHLIVLMZOHIN-UHFFFAOYSA-N 1 2 283.375 1.884 20 30 CDEDLO C=CCN(CCC#N)CC(O)C[N@@H+](CC=C)CCC#N ZINC000292323945 263131178 /nfs/dbraw/zinc/13/11/78/263131178.db2.gz VZCBBZQDCVVGRY-UHFFFAOYSA-N 1 2 276.384 1.151 20 30 CDEDLO C=CCN(CCC#N)CC(O)C[N@H+](CC=C)CCC#N ZINC000292323945 263131179 /nfs/dbraw/zinc/13/11/79/263131179.db2.gz VZCBBZQDCVVGRY-UHFFFAOYSA-N 1 2 276.384 1.151 20 30 CDEDLO CC[C@@H]1C[N@H+](CC#CCN2CCO[C@@H](CC)C2)CCO1 ZINC000341895775 263366775 /nfs/dbraw/zinc/36/67/75/263366775.db2.gz WXLHDMXFSOTFBS-IYBDPMFKSA-N 1 2 280.412 1.211 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC#CCN2CCO[C@@H](CC)C2)CCO1 ZINC000341895775 263366777 /nfs/dbraw/zinc/36/67/77/263366777.db2.gz WXLHDMXFSOTFBS-IYBDPMFKSA-N 1 2 280.412 1.211 20 30 CDEDLO CC[C@@H]1CN(CC#CC[N@@H+]2CCO[C@@H](CC)C2)CCO1 ZINC000341895775 263366780 /nfs/dbraw/zinc/36/67/80/263366780.db2.gz WXLHDMXFSOTFBS-IYBDPMFKSA-N 1 2 280.412 1.211 20 30 CDEDLO CC[C@@H]1CN(CC#CC[N@H+]2CCO[C@@H](CC)C2)CCO1 ZINC000341895775 263366782 /nfs/dbraw/zinc/36/67/82/263366782.db2.gz WXLHDMXFSOTFBS-IYBDPMFKSA-N 1 2 280.412 1.211 20 30 CDEDLO Cn1ncc(Cl)c1C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000328605738 263828118 /nfs/dbraw/zinc/82/81/18/263828118.db2.gz JVAQJIQWPZQZTQ-SNVBAGLBSA-N 1 2 297.790 1.314 20 30 CDEDLO Cn1ncc(Cl)c1C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000328605738 263828121 /nfs/dbraw/zinc/82/81/21/263828121.db2.gz JVAQJIQWPZQZTQ-SNVBAGLBSA-N 1 2 297.790 1.314 20 30 CDEDLO C[C@@H]1C[C@H](C)[C@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)O1 ZINC000328646703 263831714 /nfs/dbraw/zinc/83/17/14/263831714.db2.gz HBEHRGRGEBSBDL-WHOHXGKFSA-N 1 2 256.346 1.087 20 30 CDEDLO C[C@@H]1C[C@H](C)[C@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)O1 ZINC000328646703 263831717 /nfs/dbraw/zinc/83/17/17/263831717.db2.gz HBEHRGRGEBSBDL-WHOHXGKFSA-N 1 2 256.346 1.087 20 30 CDEDLO Cc1ncc(C(=O)NCC[N@H+]2CCOC[C@H]2C)c(C)n1 ZINC000330702413 264017724 /nfs/dbraw/zinc/01/77/24/264017724.db2.gz IAWJSWZHQGOKBK-SNVBAGLBSA-N 1 2 278.356 1.119 20 30 CDEDLO Cc1ncc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)c(C)n1 ZINC000330702413 264017726 /nfs/dbraw/zinc/01/77/26/264017726.db2.gz IAWJSWZHQGOKBK-SNVBAGLBSA-N 1 2 278.356 1.119 20 30 CDEDLO CC(=O)c1ccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c(F)c1 ZINC000330703176 264018904 /nfs/dbraw/zinc/01/89/04/264018904.db2.gz IKBGUFBYSWOKPZ-LBPRGKRZSA-N 1 2 294.326 1.664 20 30 CDEDLO CC(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c(F)c1 ZINC000330703176 264018907 /nfs/dbraw/zinc/01/89/07/264018907.db2.gz IKBGUFBYSWOKPZ-LBPRGKRZSA-N 1 2 294.326 1.664 20 30 CDEDLO CC(C)[C@@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CCO1 ZINC000330750724 264029292 /nfs/dbraw/zinc/02/92/92/264029292.db2.gz WMPXWCHMOZQPOD-DZGCQCFKSA-N 1 2 281.400 1.398 20 30 CDEDLO CC(C)[C@@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CCO1 ZINC000330750724 264029294 /nfs/dbraw/zinc/02/92/94/264029294.db2.gz WMPXWCHMOZQPOD-DZGCQCFKSA-N 1 2 281.400 1.398 20 30 CDEDLO Cc1cc[nH]c1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000331236406 264175381 /nfs/dbraw/zinc/17/53/81/264175381.db2.gz KQNZNLRNMFGLKQ-UHFFFAOYSA-N 1 2 265.357 1.739 20 30 CDEDLO Cc1cc(C)c(NC(=O)NCCCS(C)(=O)=O)c(C)[nH+]1 ZINC000331243313 264177953 /nfs/dbraw/zinc/17/79/53/264177953.db2.gz RRULVJJHTKECDS-UHFFFAOYSA-N 1 2 299.396 1.767 20 30 CDEDLO CCCn1cc(C(=O)NC(C)(C)C[NH+]2CCOCC2)cn1 ZINC000331347463 264205792 /nfs/dbraw/zinc/20/57/92/264205792.db2.gz MLRRXFRODMDYTI-UHFFFAOYSA-N 1 2 294.399 1.709 20 30 CDEDLO N#Cc1cccc(NC(=O)C[NH2+][C@H]2CCC[C@H]2C#N)c1 ZINC000331360830 264209336 /nfs/dbraw/zinc/20/93/36/264209336.db2.gz YHQSTLJHVJKZTD-JSGCOSHPSA-N 1 2 268.320 1.779 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@@H](CC)C1 ZINC000045753429 423843437 /nfs/dbraw/zinc/84/34/37/423843437.db2.gz ZVYUQENJFKUJNS-KBPBESRZSA-N 1 2 268.401 1.910 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000045753429 423843450 /nfs/dbraw/zinc/84/34/50/423843450.db2.gz ZVYUQENJFKUJNS-KBPBESRZSA-N 1 2 268.401 1.910 20 30 CDEDLO C=C[C@@H](CO)NC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000356855640 266192532 /nfs/dbraw/zinc/19/25/32/266192532.db2.gz NXFIZDWTDUPMDW-ZDUSSCGKSA-N 1 2 299.374 1.967 20 30 CDEDLO CC(C)c1nc(NCC#CCO)cc(C(C)(C)C)[nH+]1 ZINC000357555273 266323474 /nfs/dbraw/zinc/32/34/74/266323474.db2.gz DRLDORGPLXWXQX-UHFFFAOYSA-N 1 2 261.369 1.727 20 30 CDEDLO Cc1noc(C)c1C[NH+]1CCN(c2cc(C#N)ncn2)CC1 ZINC000525892434 268096199 /nfs/dbraw/zinc/09/61/99/268096199.db2.gz QGGPVOGQYGCHRQ-UHFFFAOYSA-N 1 2 298.350 1.275 20 30 CDEDLO COc1cc[nH+]cc1NC(=O)c1ccc(C#N)cn1 ZINC000107467860 270237457 /nfs/dbraw/zinc/23/74/57/270237457.db2.gz NOHOTERFCQTMTE-UHFFFAOYSA-N 1 2 254.249 1.609 20 30 CDEDLO C=CCC(C)(C)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000354268481 276881982 /nfs/dbraw/zinc/88/19/82/276881982.db2.gz WZHINHGORFYMGZ-KGLIPLIRSA-N 1 2 280.412 1.910 20 30 CDEDLO C[C@@H]1C[N@@H+](CC#CCN2C[C@H](C)OC[C@H]2C)[C@@H](C)CO1 ZINC000351621668 288135924 /nfs/dbraw/zinc/13/59/24/288135924.db2.gz UNELLWSDUVBDFN-SYMSYNOKSA-N 1 2 280.412 1.208 20 30 CDEDLO C[C@@H]1C[N@H+](CC#CCN2C[C@H](C)OC[C@H]2C)[C@@H](C)CO1 ZINC000351621668 288135926 /nfs/dbraw/zinc/13/59/26/288135926.db2.gz UNELLWSDUVBDFN-SYMSYNOKSA-N 1 2 280.412 1.208 20 30 CDEDLO C[C@@H]1CN(CC#CC[N@@H+]2C[C@H](C)OC[C@H]2C)[C@@H](C)CO1 ZINC000351621668 288135927 /nfs/dbraw/zinc/13/59/27/288135927.db2.gz UNELLWSDUVBDFN-SYMSYNOKSA-N 1 2 280.412 1.208 20 30 CDEDLO C[C@@H]1CN(CC#CC[N@H+]2C[C@H](C)OC[C@H]2C)[C@@H](C)CO1 ZINC000351621668 288135930 /nfs/dbraw/zinc/13/59/30/288135930.db2.gz UNELLWSDUVBDFN-SYMSYNOKSA-N 1 2 280.412 1.208 20 30 CDEDLO CC[C@@H]1CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCCO1 ZINC000329461142 280340210 /nfs/dbraw/zinc/34/02/10/280340210.db2.gz SFVYANFCVGBOGN-QWHCGFSZSA-N 1 2 292.383 1.613 20 30 CDEDLO Cc1nsc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1C#N ZINC000286225186 294006805 /nfs/dbraw/zinc/00/68/05/294006805.db2.gz DGODUBVPLULQGV-PWSUYJOCSA-N 1 2 292.408 1.623 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000068468666 327718484 /nfs/dbraw/zinc/71/84/84/327718484.db2.gz YEMBHZXTHAIFMC-UHFFFAOYSA-N 1 2 270.376 1.787 20 30 CDEDLO N#Cc1ccnc(NCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000349418189 316123077 /nfs/dbraw/zinc/12/30/77/316123077.db2.gz AXESNSZFTBMVDT-UHFFFAOYSA-N 1 2 284.279 1.202 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000577539550 317352799 /nfs/dbraw/zinc/35/27/99/317352799.db2.gz XCPUZHSMRGNZGJ-BXUZGUMPSA-N 1 2 280.755 1.387 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000577539550 317352802 /nfs/dbraw/zinc/35/28/02/317352802.db2.gz XCPUZHSMRGNZGJ-BXUZGUMPSA-N 1 2 280.755 1.387 20 30 CDEDLO Cc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)s1 ZINC000571138850 328087604 /nfs/dbraw/zinc/08/76/04/328087604.db2.gz GWBKZFCTFIBFMO-LBPRGKRZSA-N 1 2 251.355 1.630 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N(C)Cc1cccs1 ZINC000411770742 328099643 /nfs/dbraw/zinc/09/96/43/328099643.db2.gz MVGHTSNLYQBORQ-UHFFFAOYSA-N 1 2 250.367 1.662 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N(C)Cc1cccs1 ZINC000411770742 328099645 /nfs/dbraw/zinc/09/96/45/328099645.db2.gz MVGHTSNLYQBORQ-UHFFFAOYSA-N 1 2 250.367 1.662 20 30 CDEDLO CC[N@H+](CCC#N)C[C@@H](O)COc1cccc(C)c1 ZINC000267161958 328173864 /nfs/dbraw/zinc/17/38/64/328173864.db2.gz GDCNEKBLWAEHHP-CQSZACIVSA-N 1 2 262.353 1.970 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@@H](O)COc1cccc(C)c1 ZINC000267161958 328173865 /nfs/dbraw/zinc/17/38/65/328173865.db2.gz GDCNEKBLWAEHHP-CQSZACIVSA-N 1 2 262.353 1.970 20 30 CDEDLO CC1(C)C[C@@]1(C#N)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000291529873 328264538 /nfs/dbraw/zinc/26/45/38/328264538.db2.gz ZPRIJSXLBUSZMV-AWEZNQCLSA-N 1 2 254.293 1.756 20 30 CDEDLO C[C@@H]1OCC[C@@H]1NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000328907679 328459727 /nfs/dbraw/zinc/45/97/27/328459727.db2.gz CIKHXVPEVPQVIT-JQWIXIFHSA-N 1 2 274.324 1.515 20 30 CDEDLO COc1cc(C#N)ccc1NC(=O)NCc1c[nH+]cn1C ZINC000582718713 325030075 /nfs/dbraw/zinc/03/00/75/325030075.db2.gz ZZXAJSFPTAPIBO-UHFFFAOYSA-N 1 2 285.307 1.622 20 30 CDEDLO CC#CCCCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000184904950 329265395 /nfs/dbraw/zinc/26/53/95/329265395.db2.gz JQQVTQINPNZYSX-UHFFFAOYSA-N 1 2 266.385 1.407 20 30 CDEDLO C=CCCCC[NH+]1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000583005414 329301180 /nfs/dbraw/zinc/30/11/80/329301180.db2.gz CECWIGXHOHEDNE-UHFFFAOYSA-N 1 2 298.412 1.072 20 30 CDEDLO Cc1ccc(F)c(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000583875963 329524292 /nfs/dbraw/zinc/52/42/92/329524292.db2.gz ZSSPTVJJLGPMNX-HNNXBMFYSA-N 1 2 277.343 1.637 20 30 CDEDLO C=C(C)CN(C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418756917 329548203 /nfs/dbraw/zinc/54/82/03/329548203.db2.gz JDPWPFVUPVAYJK-SNVBAGLBSA-N 1 2 261.316 1.449 20 30 CDEDLO C=CCC[C@H](NCc1[nH+]cc(C)n1C)C(=O)OCC ZINC000449657200 330942481 /nfs/dbraw/zinc/94/24/81/330942481.db2.gz OABKZNKWMMHLDH-LBPRGKRZSA-N 1 2 265.357 1.716 20 30 CDEDLO COCCN(CC#N)Cc1c[nH+]c2c(C)cccn12 ZINC000453597903 331135639 /nfs/dbraw/zinc/13/56/39/331135639.db2.gz NHLUECFGSKZMCL-UHFFFAOYSA-N 1 2 258.325 1.615 20 30 CDEDLO C=C(C)CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000454708917 331151927 /nfs/dbraw/zinc/15/19/27/331151927.db2.gz HCTGMIKWSYMZBP-CYBMUJFWSA-N 1 2 274.368 1.926 20 30 CDEDLO C#CC[NH+]1CCN(CN2C(=O)[C@H](C)[C@H]2c2ccccc2)CC1 ZINC000490679244 332103239 /nfs/dbraw/zinc/10/32/39/332103239.db2.gz RPTJEXVFXJQUKX-WBVHZDCISA-N 1 2 297.402 1.414 20 30 CDEDLO C#CCN(CC)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000490876715 332124263 /nfs/dbraw/zinc/12/42/63/332124263.db2.gz VIXVFLFLYTTXFN-CYBMUJFWSA-N 1 2 274.368 1.734 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)CC(=O)N[C@H](C(C)=O)C(C)C ZINC000491166271 332160272 /nfs/dbraw/zinc/16/02/72/332160272.db2.gz QLMMWYGZKFOIJR-ZDUSSCGKSA-N 1 2 252.358 1.060 20 30 CDEDLO C#CC(C)(C)[N@H+](C)CC(=O)N[C@H](C(C)=O)C(C)C ZINC000491166271 332160274 /nfs/dbraw/zinc/16/02/74/332160274.db2.gz QLMMWYGZKFOIJR-ZDUSSCGKSA-N 1 2 252.358 1.060 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cccc(C(C)=O)c1 ZINC000491252354 332174353 /nfs/dbraw/zinc/17/43/53/332174353.db2.gz HODGKAUQHJQUBF-NSHDSACASA-N 1 2 258.321 1.781 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(C(C)=O)c1 ZINC000491252354 332174354 /nfs/dbraw/zinc/17/43/54/332174354.db2.gz HODGKAUQHJQUBF-NSHDSACASA-N 1 2 258.321 1.781 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000491267926 332178083 /nfs/dbraw/zinc/17/80/83/332178083.db2.gz WNIIUXLKWOQXOG-NSHDSACASA-N 1 2 284.319 1.191 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@@](C)(c2ccccc2C)C1=O ZINC000491288153 332182069 /nfs/dbraw/zinc/18/20/69/332182069.db2.gz QIBAJZPHKVIONJ-DYVFJYSZSA-N 1 2 299.374 1.673 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccccc2C)C1=O ZINC000491288153 332182070 /nfs/dbraw/zinc/18/20/70/332182070.db2.gz QIBAJZPHKVIONJ-DYVFJYSZSA-N 1 2 299.374 1.673 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cc1nnc2n1c1ccccc1c(=O)n2C ZINC000491327952 332191440 /nfs/dbraw/zinc/19/14/40/332191440.db2.gz ZFDIIGITOSQMNA-NSHDSACASA-N 1 2 295.346 1.035 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cc1nnc2n1c1ccccc1c(=O)n2C ZINC000491327952 332191441 /nfs/dbraw/zinc/19/14/41/332191441.db2.gz ZFDIIGITOSQMNA-NSHDSACASA-N 1 2 295.346 1.035 20 30 CDEDLO C#C[C@H](C)N(C)c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000491503342 332224182 /nfs/dbraw/zinc/22/41/82/332224182.db2.gz BWEZNTPGLLGGBE-STQMWFEESA-N 1 2 274.368 1.286 20 30 CDEDLO C#C[C@H](C)N(C)c1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000491503342 332224183 /nfs/dbraw/zinc/22/41/83/332224183.db2.gz BWEZNTPGLLGGBE-STQMWFEESA-N 1 2 274.368 1.286 20 30 CDEDLO C[C@@H](C#N)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000172121784 335095589 /nfs/dbraw/zinc/09/55/89/335095589.db2.gz ZAZWTQDOJPNPLD-NSHDSACASA-N 1 2 254.293 1.762 20 30 CDEDLO C#C[C@@H](C)N(C)c1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000491524527 332229660 /nfs/dbraw/zinc/22/96/60/332229660.db2.gz MLSGAKTVMJRNHQ-OLZOCXBDSA-N 1 2 274.368 1.143 20 30 CDEDLO C#C[C@@H](C)N(C)c1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000491524527 332229662 /nfs/dbraw/zinc/22/96/62/332229662.db2.gz MLSGAKTVMJRNHQ-OLZOCXBDSA-N 1 2 274.368 1.143 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C[C@H]1Cc1ccccc1 ZINC000491542483 332233487 /nfs/dbraw/zinc/23/34/87/332233487.db2.gz AJIFETHQMSWECH-DZGCQCFKSA-N 1 2 256.349 1.741 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C[C@H]1Cc1ccccc1 ZINC000491542483 332233489 /nfs/dbraw/zinc/23/34/89/332233489.db2.gz AJIFETHQMSWECH-DZGCQCFKSA-N 1 2 256.349 1.741 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(F)cc1F ZINC000491555658 332237557 /nfs/dbraw/zinc/23/75/57/332237557.db2.gz SLHWPCMHOIORBY-SECBINFHSA-N 1 2 252.264 1.857 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(F)cc1F ZINC000491555658 332237559 /nfs/dbraw/zinc/23/75/59/332237559.db2.gz SLHWPCMHOIORBY-SECBINFHSA-N 1 2 252.264 1.857 20 30 CDEDLO C#C[C@H](CC)NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000491636547 332257468 /nfs/dbraw/zinc/25/74/68/332257468.db2.gz SYQROSARWVUKBU-NWDGAFQWSA-N 1 2 260.341 1.331 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1N1CCCC1=O ZINC000491747547 332324679 /nfs/dbraw/zinc/32/46/79/332324679.db2.gz RUBGNWQMSAQROC-CYBMUJFWSA-N 1 2 299.374 1.705 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1N1CCCC1=O ZINC000491747547 332324681 /nfs/dbraw/zinc/32/46/81/332324681.db2.gz RUBGNWQMSAQROC-CYBMUJFWSA-N 1 2 299.374 1.705 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@](CC)(C(C)C)C1=O ZINC000491766333 332334395 /nfs/dbraw/zinc/33/43/95/332334395.db2.gz GYIIQQRTPVDQIG-SMDDNHRTSA-N 1 2 265.357 1.254 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@](CC)(C(C)C)C1=O ZINC000491766333 332334396 /nfs/dbraw/zinc/33/43/96/332334396.db2.gz GYIIQQRTPVDQIG-SMDDNHRTSA-N 1 2 265.357 1.254 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1Cc2ccc(C(=O)OC)cc2C1=O ZINC000491820366 332370262 /nfs/dbraw/zinc/37/02/62/332370262.db2.gz XJWKTYLKMLBFTM-LLVKDONJSA-N 1 2 286.331 1.340 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1Cc2ccc(C(=O)OC)cc2C1=O ZINC000491820366 332370264 /nfs/dbraw/zinc/37/02/64/332370264.db2.gz XJWKTYLKMLBFTM-LLVKDONJSA-N 1 2 286.331 1.340 20 30 CDEDLO N#CC1(NC(=O)/C=C/c2[nH]cc[nH+]2)CCSCC1 ZINC000493166429 332428972 /nfs/dbraw/zinc/42/89/72/332428972.db2.gz YRCGFLFATHVISJ-OWOJBTEDSA-N 1 2 262.338 1.328 20 30 CDEDLO N#CC1(CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000575816983 335118690 /nfs/dbraw/zinc/11/86/90/335118690.db2.gz CNIOIAUJMRTMML-UHFFFAOYSA-N 1 2 299.378 1.213 20 30 CDEDLO CC(=O)[C@@H](NC(=O)C[NH+]1CCC(CC#N)CC1)C(C)C ZINC000543809715 333901343 /nfs/dbraw/zinc/90/13/43/333901343.db2.gz KFYKQLTZUYDJBZ-HNNXBMFYSA-N 1 2 279.384 1.342 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000072906186 333964929 /nfs/dbraw/zinc/96/49/29/333964929.db2.gz IFTFGLHHZBSGIM-GFCCVEGCSA-N 1 2 286.297 1.356 20 30 CDEDLO CN(Cc1ccccc1)C(=O)C[NH2+]C[C@H](C#N)CCC#N ZINC000548788300 334173928 /nfs/dbraw/zinc/17/39/28/334173928.db2.gz FZNZIAMFBXOGBX-HNNXBMFYSA-N 1 2 284.363 1.678 20 30 CDEDLO CCCCSCCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000580837729 335973658 /nfs/dbraw/zinc/97/36/58/335973658.db2.gz YZMVUEZQTUGNGP-CYBMUJFWSA-N 1 2 271.430 1.870 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000581832697 336149560 /nfs/dbraw/zinc/14/95/60/336149560.db2.gz PSESUHGNQOKPHM-XQQFMLRXSA-N 1 2 251.374 1.963 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc(C)[nH+]cc1C ZINC000581927052 336169900 /nfs/dbraw/zinc/16/99/00/336169900.db2.gz RPTUYMLRBMTUDU-YPMHNXCESA-N 1 2 261.325 1.585 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccon1 ZINC001753849015 1159922735 /nfs/dbraw/zinc/92/27/35/1159922735.db2.gz XNEHBFIOBFPAEY-UHFFFAOYSA-N 1 2 257.721 1.431 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccon1 ZINC001753849015 1159922738 /nfs/dbraw/zinc/92/27/38/1159922738.db2.gz XNEHBFIOBFPAEY-UHFFFAOYSA-N 1 2 257.721 1.431 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(c2ccncn2)CC1 ZINC000591041294 482443909 /nfs/dbraw/zinc/44/39/09/482443909.db2.gz YEKROHSFZMAKNS-ZDUSSCGKSA-N 1 2 261.325 1.384 20 30 CDEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000680636853 482539968 /nfs/dbraw/zinc/53/99/68/482539968.db2.gz UNUBPEUYADRLIX-CQSZACIVSA-N 1 2 271.364 1.641 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CC(C)(C)[C@H]3COC[C@H]32)nn1 ZINC000653756039 483108908 /nfs/dbraw/zinc/10/89/08/483108908.db2.gz QJZKMXXYQFIZOB-UONOGXRCSA-N 1 2 276.384 1.711 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CC(C)(C)[C@H]3COC[C@H]32)nn1 ZINC000653756039 483108915 /nfs/dbraw/zinc/10/89/15/483108915.db2.gz QJZKMXXYQFIZOB-UONOGXRCSA-N 1 2 276.384 1.711 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2oc(C)nc2C)C1=O ZINC000685580978 483175834 /nfs/dbraw/zinc/17/58/34/483175834.db2.gz KBZHCVSSGQFZHY-GFCCVEGCSA-N 1 2 263.341 1.510 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2oc(C)nc2C)C1=O ZINC000685580978 483175837 /nfs/dbraw/zinc/17/58/37/483175837.db2.gz KBZHCVSSGQFZHY-GFCCVEGCSA-N 1 2 263.341 1.510 20 30 CDEDLO C=CCCOCC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000675256984 483264899 /nfs/dbraw/zinc/26/48/99/483264899.db2.gz DXJXHIUCGOEVEJ-ZIAGYGMSSA-N 1 2 277.368 1.885 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@H](C)c2cn(C)nc2C)nn1 ZINC000653602013 483271950 /nfs/dbraw/zinc/27/19/50/483271950.db2.gz IPJPXYKAZXEDQN-LLVKDONJSA-N 1 2 274.372 1.747 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000049332826 518255109 /nfs/dbraw/zinc/25/51/09/518255109.db2.gz TXFBEVXNLOESMU-UHFFFAOYSA-N 1 2 259.309 1.149 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000049332826 518255114 /nfs/dbraw/zinc/25/51/14/518255114.db2.gz TXFBEVXNLOESMU-UHFFFAOYSA-N 1 2 259.309 1.149 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ocnc2CC)CC1 ZINC001113331135 1162155762 /nfs/dbraw/zinc/15/57/62/1162155762.db2.gz JMLWVIYCODHZMV-UHFFFAOYSA-N 1 2 293.367 1.197 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCOc2ccccc2)CC1 ZINC001113631796 1162244314 /nfs/dbraw/zinc/24/43/14/1162244314.db2.gz LVFZQYPUQFEOFS-UHFFFAOYSA-N 1 2 286.375 1.623 20 30 CDEDLO Cc1cccn2c(=O)cc(C[NH2+][C@H]3CCC[C@H]3C#N)nc12 ZINC000332122019 534842618 /nfs/dbraw/zinc/84/26/18/534842618.db2.gz HSTSWXMKYUTDCJ-JSGCOSHPSA-N 1 2 282.347 1.785 20 30 CDEDLO CC#CCCNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000352752192 526329895 /nfs/dbraw/zinc/32/98/95/526329895.db2.gz JLXGMQIRYPKTSL-UHFFFAOYSA-N 1 2 283.335 1.861 20 30 CDEDLO C=CCOCC(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000354598852 526708937 /nfs/dbraw/zinc/70/89/37/526708937.db2.gz KUVKZKQMQFJDGZ-UHFFFAOYSA-N 1 2 277.368 1.747 20 30 CDEDLO N#Cc1nc(NCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000236420627 526787472 /nfs/dbraw/zinc/78/74/72/526787472.db2.gz BOJCNLHBOPZAJX-UHFFFAOYSA-N 1 2 272.268 1.560 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCC1([NH+]2CCOCC2)CC1)OCC ZINC000347300193 526811874 /nfs/dbraw/zinc/81/18/74/526811874.db2.gz KDQDWCUTXVFLDL-AWEZNQCLSA-N 1 2 296.411 1.339 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000333227933 527477912 /nfs/dbraw/zinc/47/79/12/527477912.db2.gz XMPDJDYOGCCYDL-RNJOBUHISA-N 1 2 290.367 1.922 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000332381483 528848392 /nfs/dbraw/zinc/84/83/92/528848392.db2.gz OPMLRGGDDLXMBF-SWLSCSKDSA-N 1 2 289.383 1.601 20 30 CDEDLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCc1cccc(OC)n1 ZINC000329386407 538563945 /nfs/dbraw/zinc/56/39/45/538563945.db2.gz PREVABIGUJGMDX-ZDUSSCGKSA-N 1 2 293.367 1.310 20 30 CDEDLO CC[N@H+]1CCOC[C@H]1C(=O)NCCc1cccc(OC)n1 ZINC000329386407 538563954 /nfs/dbraw/zinc/56/39/54/538563954.db2.gz PREVABIGUJGMDX-ZDUSSCGKSA-N 1 2 293.367 1.310 20 30 CDEDLO C=CC[N@H+](CN1C(=O)NC(C2CC2)(C2CC2)C1=O)C(C)C ZINC000725770384 574435274 /nfs/dbraw/zinc/43/52/74/574435274.db2.gz UVQRXEZNMBMSTC-UHFFFAOYSA-N 1 2 291.395 1.951 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)NC(C2CC2)(C2CC2)C1=O)C(C)C ZINC000725770384 574435275 /nfs/dbraw/zinc/43/52/75/574435275.db2.gz UVQRXEZNMBMSTC-UHFFFAOYSA-N 1 2 291.395 1.951 20 30 CDEDLO CC(=O)N(C)C1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000112560046 1174844752 /nfs/dbraw/zinc/84/47/52/1174844752.db2.gz ZHYCIQRKOLRXOR-CYBMUJFWSA-N 1 2 262.357 1.373 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cnc(C3CC3)s2)CC1 ZINC000729355487 574753710 /nfs/dbraw/zinc/75/37/10/574753710.db2.gz ULRNXQAQEJURGM-UHFFFAOYSA-N 1 2 289.404 1.802 20 30 CDEDLO C#C[C@H](CC)NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000767874571 576234652 /nfs/dbraw/zinc/23/46/52/576234652.db2.gz ODPCZTHMLUVUQL-QWHCGFSZSA-N 1 2 274.368 1.721 20 30 CDEDLO CCOc1ccc(/C=[NH+]\CC(C)(C)C(=O)NC)c(O)c1 ZINC000772801346 575754849 /nfs/dbraw/zinc/75/48/49/575754849.db2.gz DYLOTQTUVRGMMC-MFOYZWKCSA-N 1 2 278.352 1.982 20 30 CDEDLO C#C[C@@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)[C@@H]1CCCO1 ZINC000772892975 575765536 /nfs/dbraw/zinc/76/55/36/575765536.db2.gz PGGSGMZRJVLIAC-CABCVRRESA-N 1 2 297.358 1.482 20 30 CDEDLO C[C@@H]1CC(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)=NO1 ZINC000765370361 576011468 /nfs/dbraw/zinc/01/14/68/576011468.db2.gz WLNDQFOHOXXUKJ-LLVKDONJSA-N 1 2 284.319 1.784 20 30 CDEDLO C=CCn1nnn(C[N@@H+](CC)C2CCC2)c1=S ZINC000738052311 576034911 /nfs/dbraw/zinc/03/49/11/576034911.db2.gz HNTGHUPQHBJVQI-UHFFFAOYSA-N 1 2 253.375 1.827 20 30 CDEDLO C=CCn1nnn(C[N@H+](CC)C2CCC2)c1=S ZINC000738052311 576034915 /nfs/dbraw/zinc/03/49/15/576034915.db2.gz HNTGHUPQHBJVQI-UHFFFAOYSA-N 1 2 253.375 1.827 20 30 CDEDLO C[C@@H]1c2c(F)cccc2CC[N@H+]1CC(=O)NCCC#N ZINC000738339775 576060731 /nfs/dbraw/zinc/06/07/31/576060731.db2.gz JAYBKNATTXLXIO-LLVKDONJSA-N 1 2 275.327 1.775 20 30 CDEDLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)NCCC#N ZINC000738339775 576060732 /nfs/dbraw/zinc/06/07/32/576060732.db2.gz JAYBKNATTXLXIO-LLVKDONJSA-N 1 2 275.327 1.775 20 30 CDEDLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)NCCC#N ZINC000738338193 576060861 /nfs/dbraw/zinc/06/08/61/576060861.db2.gz FRKPWVKUJRJYMU-LLVKDONJSA-N 1 2 275.327 1.775 20 30 CDEDLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)NCCC#N ZINC000738338193 576060863 /nfs/dbraw/zinc/06/08/63/576060863.db2.gz FRKPWVKUJRJYMU-LLVKDONJSA-N 1 2 275.327 1.775 20 30 CDEDLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000766100096 576078191 /nfs/dbraw/zinc/07/81/91/576078191.db2.gz ZOYVIMYMVFZCRW-SWLSCSKDSA-N 1 2 276.336 1.171 20 30 CDEDLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000766100096 576078192 /nfs/dbraw/zinc/07/81/92/576078192.db2.gz ZOYVIMYMVFZCRW-SWLSCSKDSA-N 1 2 276.336 1.171 20 30 CDEDLO C[C@@H]1C[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)CCCO1 ZINC000766637018 576118094 /nfs/dbraw/zinc/11/80/94/576118094.db2.gz LDIZEWUEMJWMDS-GFCCVEGCSA-N 1 2 287.363 1.277 20 30 CDEDLO C[C@@H]1C[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)CCCO1 ZINC000766637018 576118095 /nfs/dbraw/zinc/11/80/95/576118095.db2.gz LDIZEWUEMJWMDS-GFCCVEGCSA-N 1 2 287.363 1.277 20 30 CDEDLO C#CCCC[N@@H+]1CCNC(=O)[C@@H]1c1c(C)nc2ccccn21 ZINC000766901481 576144286 /nfs/dbraw/zinc/14/42/86/576144286.db2.gz YPEOJVORHCJCGF-INIZCTEOSA-N 1 2 296.374 1.529 20 30 CDEDLO C#CCCC[N@H+]1CCNC(=O)[C@@H]1c1c(C)nc2ccccn21 ZINC000766901481 576144288 /nfs/dbraw/zinc/14/42/88/576144288.db2.gz YPEOJVORHCJCGF-INIZCTEOSA-N 1 2 296.374 1.529 20 30 CDEDLO C[C@@H](C#N)OC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000740986468 576529537 /nfs/dbraw/zinc/52/95/37/576529537.db2.gz CCAUHWPRFQQOGB-RYUDHWBXSA-N 1 2 258.321 1.888 20 30 CDEDLO C[C@@H](C#N)OC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000740986468 576529541 /nfs/dbraw/zinc/52/95/41/576529541.db2.gz CCAUHWPRFQQOGB-RYUDHWBXSA-N 1 2 258.321 1.888 20 30 CDEDLO c1cn(-c2ccc(N=NCc3ccncc3)nn2)c[nH+]1 ZINC000761861428 576599142 /nfs/dbraw/zinc/59/91/42/576599142.db2.gz YQUYVKWBHVZGSB-UHFFFAOYSA-N 1 2 265.280 1.503 20 30 CDEDLO C(=NNc1ccc(-n2cc[nH+]c2)nn1)c1ccncc1 ZINC000761861428 576599144 /nfs/dbraw/zinc/59/91/44/576599144.db2.gz YQUYVKWBHVZGSB-UHFFFAOYSA-N 1 2 265.280 1.503 20 30 CDEDLO C#CCNC(=O)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000761885922 576603391 /nfs/dbraw/zinc/60/33/91/576603391.db2.gz IWNSYLKLWCTOGL-UHFFFAOYSA-N 1 2 286.379 1.368 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnn(CCC)c1 ZINC000742722803 576614411 /nfs/dbraw/zinc/61/44/11/576614411.db2.gz TZXHVPXUULWKLX-ZDUSSCGKSA-N 1 2 260.341 1.329 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnn(CCC)c1 ZINC000742722803 576614413 /nfs/dbraw/zinc/61/44/13/576614413.db2.gz TZXHVPXUULWKLX-ZDUSSCGKSA-N 1 2 260.341 1.329 20 30 CDEDLO Oc1cccc(/C=[NH+]\CCc2nnc3ccccn32)c1O ZINC000743340793 576634001 /nfs/dbraw/zinc/63/40/01/576634001.db2.gz KRJWWKSCDKFKRD-YBEGLDIGSA-N 1 2 282.303 1.802 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CCOc2ccc(F)cc2)CC1 ZINC000744422224 576679977 /nfs/dbraw/zinc/67/99/77/576679977.db2.gz BRTOJTJJWQWWBD-UHFFFAOYSA-N 1 2 290.338 1.372 20 30 CDEDLO COC(=O)C(C)(C)[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000763539310 576741194 /nfs/dbraw/zinc/74/11/94/576741194.db2.gz PHZKPXODQFUIPM-ZDUSSCGKSA-N 1 2 276.336 1.475 20 30 CDEDLO COC(=O)C(C)(C)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000763539310 576741196 /nfs/dbraw/zinc/74/11/96/576741196.db2.gz PHZKPXODQFUIPM-ZDUSSCGKSA-N 1 2 276.336 1.475 20 30 CDEDLO N#CC1CC[NH+]([C@H]2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000747033113 576856675 /nfs/dbraw/zinc/85/66/75/576856675.db2.gz CXEQDGWEEJOCRL-AWEZNQCLSA-N 1 2 283.331 1.554 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccn(CC(F)F)n1 ZINC000748761423 576922838 /nfs/dbraw/zinc/92/28/38/576922838.db2.gz XZXWJDZRRWXLOI-JTQLQIEISA-N 1 2 282.294 1.184 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccn(CC(F)F)n1 ZINC000748761423 576922840 /nfs/dbraw/zinc/92/28/40/576922840.db2.gz XZXWJDZRRWXLOI-JTQLQIEISA-N 1 2 282.294 1.184 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000748835185 576928725 /nfs/dbraw/zinc/92/87/25/576928725.db2.gz ZPRIOIBIBUFCOM-RISCZKNCSA-N 1 2 260.312 1.710 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000748835185 576928726 /nfs/dbraw/zinc/92/87/26/576928726.db2.gz ZPRIOIBIBUFCOM-RISCZKNCSA-N 1 2 260.312 1.710 20 30 CDEDLO N#CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000750505885 576992311 /nfs/dbraw/zinc/99/23/11/576992311.db2.gz ZLJQEVSCPQLQJP-ZDUSSCGKSA-N 1 2 262.284 1.857 20 30 CDEDLO N#CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000750505885 576992312 /nfs/dbraw/zinc/99/23/12/576992312.db2.gz ZLJQEVSCPQLQJP-ZDUSSCGKSA-N 1 2 262.284 1.857 20 30 CDEDLO CC(C)(C#N)C[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000757907475 577060348 /nfs/dbraw/zinc/06/03/48/577060348.db2.gz UWIOVFYXOXDCEH-UHFFFAOYSA-N 1 2 255.325 1.907 20 30 CDEDLO N#Cc1cccn(C[N@@H+]2CCC[C@H](n3ccnc3)C2)c1=O ZINC000758223630 577085337 /nfs/dbraw/zinc/08/53/37/577085337.db2.gz OICSPQOTVOQARR-AWEZNQCLSA-N 1 2 283.335 1.211 20 30 CDEDLO N#Cc1cccn(C[N@H+]2CCC[C@H](n3ccnc3)C2)c1=O ZINC000758223630 577085338 /nfs/dbraw/zinc/08/53/38/577085338.db2.gz OICSPQOTVOQARR-AWEZNQCLSA-N 1 2 283.335 1.211 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2cnccc2C)CC1 ZINC000752354356 577100511 /nfs/dbraw/zinc/10/05/11/577100511.db2.gz MEBKREADGCCOPB-PLNGDYQASA-N 1 2 269.348 1.181 20 30 CDEDLO C#C[C@H](CC)NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000753057594 577142486 /nfs/dbraw/zinc/14/24/86/577142486.db2.gz BACUDJXBISJPFQ-CYBMUJFWSA-N 1 2 283.335 1.478 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000753183661 577151759 /nfs/dbraw/zinc/15/17/59/577151759.db2.gz KUCLUSJQMQOYLD-OAHLLOKOSA-N 1 2 292.342 1.467 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccncc2Cl)C1 ZINC000952344995 612992520 /nfs/dbraw/zinc/99/25/20/612992520.db2.gz XLPIZYXKTPAAOY-UHFFFAOYSA-N 1 2 291.782 1.905 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2ocnc2CC)CC1 ZINC000981922880 613160294 /nfs/dbraw/zinc/16/02/94/613160294.db2.gz BXDZVFWNVNDWGV-UHFFFAOYSA-N 1 2 261.325 1.018 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2ocnc2CC)CC1 ZINC000981922880 613160295 /nfs/dbraw/zinc/16/02/95/613160295.db2.gz BXDZVFWNVNDWGV-UHFFFAOYSA-N 1 2 261.325 1.018 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)C(=C)C)C2)C1 ZINC000972491866 613211851 /nfs/dbraw/zinc/21/18/51/613211851.db2.gz CUNPCFOTOGWJHJ-QGZVFWFLSA-N 1 2 290.407 1.525 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)C(=C)C)C2)C1 ZINC000972491866 613211852 /nfs/dbraw/zinc/21/18/52/613211852.db2.gz CUNPCFOTOGWJHJ-QGZVFWFLSA-N 1 2 290.407 1.525 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](C)Oc2ccccn2)CC1 ZINC000957354185 613317305 /nfs/dbraw/zinc/31/73/05/613317305.db2.gz OXMBEPCQXDUVMU-CQSZACIVSA-N 1 2 289.379 1.569 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cn3cccnc3n2)CC1 ZINC000949087507 613321367 /nfs/dbraw/zinc/32/13/67/613321367.db2.gz SYNZOKIFXLSIJS-UHFFFAOYSA-N 1 2 285.351 1.063 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CCc2nnc[nH]2)C1 ZINC000971298051 613368144 /nfs/dbraw/zinc/36/81/44/613368144.db2.gz MIYMUYXHRJFADM-LLVKDONJSA-N 1 2 297.790 1.023 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CCc2nnc[nH]2)C1 ZINC000971298051 613368145 /nfs/dbraw/zinc/36/81/45/613368145.db2.gz MIYMUYXHRJFADM-LLVKDONJSA-N 1 2 297.790 1.023 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCCO2)C1 ZINC000969482481 613371469 /nfs/dbraw/zinc/37/14/69/613371469.db2.gz FMXNEFCXNCJODT-DGCLKSJQSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cncnc2C)C1 ZINC000969342285 613372026 /nfs/dbraw/zinc/37/20/26/613372026.db2.gz DUCBYANKNCTRPX-SNVBAGLBSA-N 1 2 294.786 1.588 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnccn2)C1 ZINC000969229789 613372497 /nfs/dbraw/zinc/37/24/97/613372497.db2.gz BEDIXGODRCZXPB-JTQLQIEISA-N 1 2 280.759 1.279 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnn(C)c2)C1 ZINC000969243328 613372624 /nfs/dbraw/zinc/37/26/24/613372624.db2.gz PAAPVEOGNHECBF-JTQLQIEISA-N 1 2 282.775 1.223 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CCCOC2)CC1 ZINC000980825863 613373904 /nfs/dbraw/zinc/37/39/04/613373904.db2.gz QDQMMTUZFKMMOL-ZDUSSCGKSA-N 1 2 286.803 1.700 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CCCOC2)CC1 ZINC000980825863 613373905 /nfs/dbraw/zinc/37/39/05/613373905.db2.gz QDQMMTUZFKMMOL-ZDUSSCGKSA-N 1 2 286.803 1.700 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccnn2)C1 ZINC000968460896 613377532 /nfs/dbraw/zinc/37/75/32/613377532.db2.gz YOFYFTZSGNTRTC-GWCFXTLKSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccnn2)C1 ZINC000968460896 613377533 /nfs/dbraw/zinc/37/75/33/613377533.db2.gz YOFYFTZSGNTRTC-GWCFXTLKSA-N 1 2 294.786 1.669 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCc2cccnc2)CC1 ZINC000949141152 613562119 /nfs/dbraw/zinc/56/21/19/613562119.db2.gz OXWLUQLUFYGNAG-UHFFFAOYSA-N 1 2 271.364 1.182 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C=C(C)C)C2)C1 ZINC000972239748 613570787 /nfs/dbraw/zinc/57/07/87/613570787.db2.gz OJGFZMHZKXZVDA-MRXNPFEDSA-N 1 2 276.380 1.279 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C=C(C)C)C2)C1 ZINC000972239748 613570789 /nfs/dbraw/zinc/57/07/89/613570789.db2.gz OJGFZMHZKXZVDA-MRXNPFEDSA-N 1 2 276.380 1.279 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC3(C)C)C2)C1 ZINC000972347547 613571236 /nfs/dbraw/zinc/57/12/36/613571236.db2.gz WQIGEWRGOULKJO-RHSMWYFYSA-N 1 2 290.407 1.359 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC3(C)C)C2)C1 ZINC000972347547 613571237 /nfs/dbraw/zinc/57/12/37/613571237.db2.gz WQIGEWRGOULKJO-RHSMWYFYSA-N 1 2 290.407 1.359 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2Cc3ccccc3C2)CC1 ZINC000950677664 613707420 /nfs/dbraw/zinc/70/74/20/613707420.db2.gz QHFSRDANDOLUIP-UHFFFAOYSA-N 1 2 270.376 1.732 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@H](C)n2cccc2)CC1 ZINC000957381427 613708659 /nfs/dbraw/zinc/70/86/59/613708659.db2.gz PQDPTOABDOQSND-AWEZNQCLSA-N 1 2 261.369 1.769 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cn2ncc3cc(C)cnc32)CC1 ZINC000949323586 613709761 /nfs/dbraw/zinc/70/97/61/613709761.db2.gz LRVNCLWPJWACNC-UHFFFAOYSA-N 1 2 299.378 1.070 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN2c2ccccc2)CC1 ZINC000948686876 613711344 /nfs/dbraw/zinc/71/13/44/613711344.db2.gz XAEIETSQSVRRSV-KRWDZBQOSA-N 1 2 299.418 1.986 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2c3c[nH]nc3CC[C@@H]2C)CC1 ZINC000949364028 613711792 /nfs/dbraw/zinc/71/17/92/613711792.db2.gz ZKAOHWWJASLXBQ-WFASDCNBSA-N 1 2 288.395 1.406 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(Cl)cn2C)CC1 ZINC000949198497 613714907 /nfs/dbraw/zinc/71/49/07/613714907.db2.gz GAWDBMOMPFGHAN-UHFFFAOYSA-N 1 2 267.760 1.622 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)nn2CC)CC1 ZINC000950650048 613715054 /nfs/dbraw/zinc/71/50/54/613715054.db2.gz JNTDBTZGDQBPCO-UHFFFAOYSA-N 1 2 262.357 1.155 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(OC)c(C)c2)CC1 ZINC000951752335 613716091 /nfs/dbraw/zinc/71/60/91/613716091.db2.gz ZPUATOVLYYWNRE-UHFFFAOYSA-N 1 2 274.364 1.947 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc3nc[nH]c32)CC1 ZINC000952377076 613716840 /nfs/dbraw/zinc/71/68/40/613716840.db2.gz MHAPBPUROBOBTN-UHFFFAOYSA-N 1 2 270.336 1.507 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccnc(-n3cccn3)c2)CC1 ZINC000950413041 613717378 /nfs/dbraw/zinc/71/73/78/613717378.db2.gz DDXHZYGJJGQFFW-UHFFFAOYSA-N 1 2 297.362 1.211 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3CC)C2)C1 ZINC000972563828 613723463 /nfs/dbraw/zinc/72/34/63/613723463.db2.gz GECOIKZWLHSAET-FMKPAKJESA-N 1 2 278.396 1.522 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3CC)C2)C1 ZINC000972563828 613723467 /nfs/dbraw/zinc/72/34/67/613723467.db2.gz GECOIKZWLHSAET-FMKPAKJESA-N 1 2 278.396 1.522 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC3(C)CC3)C2)C1 ZINC000972468467 613723655 /nfs/dbraw/zinc/72/36/55/613723655.db2.gz BTFBNTPMPTUXJR-INIZCTEOSA-N 1 2 278.396 1.666 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC3(C)CC3)C2)C1 ZINC000972468467 613723656 /nfs/dbraw/zinc/72/36/56/613723656.db2.gz BTFBNTPMPTUXJR-INIZCTEOSA-N 1 2 278.396 1.666 20 30 CDEDLO C=CC[N@H+](CN1C(=O)CC(C)(C)C1=O)[C@@H](C)COC ZINC000853533185 617414622 /nfs/dbraw/zinc/41/46/22/617414622.db2.gz XEDICOZSGLHCTE-NSHDSACASA-N 1 2 268.357 1.252 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)CC(C)(C)C1=O)[C@@H](C)COC ZINC000853533185 617414624 /nfs/dbraw/zinc/41/46/24/617414624.db2.gz XEDICOZSGLHCTE-NSHDSACASA-N 1 2 268.357 1.252 20 30 CDEDLO C=CC[N@@H+]1C[C@H](NC(=O)c2[nH]nc3c2CCC3)C(C)(C)C1 ZINC000974769824 613830162 /nfs/dbraw/zinc/83/01/62/613830162.db2.gz ATELFVDVPILUIE-ZDUSSCGKSA-N 1 2 288.395 1.525 20 30 CDEDLO C=CC[N@H+]1C[C@H](NC(=O)c2[nH]nc3c2CCC3)C(C)(C)C1 ZINC000974769824 613830163 /nfs/dbraw/zinc/83/01/63/613830163.db2.gz ATELFVDVPILUIE-ZDUSSCGKSA-N 1 2 288.395 1.525 20 30 CDEDLO C(#Cc1ccccc1)C[NH2+]Cc1nnc2n1CCC2 ZINC000892526863 617477790 /nfs/dbraw/zinc/47/77/90/617477790.db2.gz ABUDKNCJFXNUJC-UHFFFAOYSA-N 1 2 252.321 1.366 20 30 CDEDLO C#CC[NH+]1CCN(c2nc3ccc(F)cc3o2)CC1 ZINC000891679216 617534961 /nfs/dbraw/zinc/53/49/61/617534961.db2.gz REFKLIKLGRKVHM-UHFFFAOYSA-N 1 2 259.284 1.722 20 30 CDEDLO CCn1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC000971208972 616029383 /nfs/dbraw/zinc/02/93/83/616029383.db2.gz BFZVGEHLHTZCCY-TZMCWYRMSA-N 1 2 289.383 1.095 20 30 CDEDLO CCn1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC000971208972 616029386 /nfs/dbraw/zinc/02/93/86/616029386.db2.gz BFZVGEHLHTZCCY-TZMCWYRMSA-N 1 2 289.383 1.095 20 30 CDEDLO C[N@H+](Cc1ccon1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971288141 616089152 /nfs/dbraw/zinc/08/91/52/616089152.db2.gz IKUAZOFHHGLDNV-ZDUSSCGKSA-N 1 2 299.334 1.221 20 30 CDEDLO C[N@@H+](Cc1ccon1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971288141 616089153 /nfs/dbraw/zinc/08/91/53/616089153.db2.gz IKUAZOFHHGLDNV-ZDUSSCGKSA-N 1 2 299.334 1.221 20 30 CDEDLO C#CC1(O)C[NH+](CCC(C)(C)CC(=O)OCC)C1 ZINC000934449422 617592480 /nfs/dbraw/zinc/59/24/80/617592480.db2.gz WUMAKXUYUIZWFE-UHFFFAOYSA-N 1 2 253.342 1.036 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCN3CCOC[C@H]3C2)cs1 ZINC000893562559 618126341 /nfs/dbraw/zinc/12/63/41/618126341.db2.gz SXMQPGRFAWKZBU-GFCCVEGCSA-N 1 2 263.366 1.136 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCN3CCOC[C@H]3C2)cs1 ZINC000893562559 618126348 /nfs/dbraw/zinc/12/63/48/618126348.db2.gz SXMQPGRFAWKZBU-GFCCVEGCSA-N 1 2 263.366 1.136 20 30 CDEDLO COC(=O)COc1ccccc1C[NH2+]CC1(C#N)CC1 ZINC000894205039 618698729 /nfs/dbraw/zinc/69/87/29/618698729.db2.gz VEWHOBULEXLHPG-UHFFFAOYSA-N 1 2 274.320 1.632 20 30 CDEDLO C=CC(C)(C)CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000924907814 618741357 /nfs/dbraw/zinc/74/13/57/618741357.db2.gz USIXXCUQZBQJAC-JTQLQIEISA-N 1 2 262.313 1.085 20 30 CDEDLO C=CC(C)(C)CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000924907814 618741358 /nfs/dbraw/zinc/74/13/58/618741358.db2.gz USIXXCUQZBQJAC-JTQLQIEISA-N 1 2 262.313 1.085 20 30 CDEDLO CNc1cc(N2CCN(c3ccc(C#N)cc3)CC2)nc[nH+]1 ZINC000895023291 619209276 /nfs/dbraw/zinc/20/92/76/619209276.db2.gz UURSWKNCUAHLKR-UHFFFAOYSA-N 1 2 294.362 1.717 20 30 CDEDLO CNc1cc(N2CCN(c3ccc(C#N)cc3)CC2)[nH+]cn1 ZINC000895023291 619209281 /nfs/dbraw/zinc/20/92/81/619209281.db2.gz UURSWKNCUAHLKR-UHFFFAOYSA-N 1 2 294.362 1.717 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCCN1O ZINC000895165159 619392240 /nfs/dbraw/zinc/39/22/40/619392240.db2.gz KFCZJECREGECQJ-SNVBAGLBSA-N 1 2 299.714 1.718 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2ccc(F)cc2F)CCCN1O ZINC000895165374 619392808 /nfs/dbraw/zinc/39/28/08/619392808.db2.gz JYUZUKFKXOPOAB-LLVKDONJSA-N 1 2 256.252 1.435 20 30 CDEDLO Cc1[nH]c(CNC(=O)c2cc(C#N)cs2)[nH+]c1C ZINC000896917188 620307743 /nfs/dbraw/zinc/30/77/43/620307743.db2.gz QZDTXNAQJPKUDJ-UHFFFAOYSA-N 1 2 260.322 1.890 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899060075 622038513 /nfs/dbraw/zinc/03/85/13/622038513.db2.gz WUECIQGEGZAFEG-UHFFFAOYSA-N 1 2 294.395 1.320 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899060075 622038517 /nfs/dbraw/zinc/03/85/17/622038517.db2.gz WUECIQGEGZAFEG-UHFFFAOYSA-N 1 2 294.395 1.320 20 30 CDEDLO C#CCOCCO[NH+]=C(N)Cc1ccccc1F ZINC000902622547 625042385 /nfs/dbraw/zinc/04/23/85/625042385.db2.gz GIAKTXYWBXQWNI-UHFFFAOYSA-N 1 2 250.273 1.516 20 30 CDEDLO N#Cc1sccc1C(=O)NCCCn1cc[nH+]c1 ZINC000905047232 626384680 /nfs/dbraw/zinc/38/46/80/626384680.db2.gz ZQRHMRWNEFHWFR-UHFFFAOYSA-N 1 2 260.322 1.636 20 30 CDEDLO N#C[C@]1(NC(=O)Cc2c[nH]c[nH+]2)CCc2ccccc2C1 ZINC000907450549 627678423 /nfs/dbraw/zinc/67/84/23/627678423.db2.gz JYALBJZNYHFZGM-INIZCTEOSA-N 1 2 280.331 1.520 20 30 CDEDLO C=CCCC(=O)[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000908658428 628318990 /nfs/dbraw/zinc/31/89/90/628318990.db2.gz BWBHTVMJBINTRQ-ZDUSSCGKSA-N 1 2 275.352 1.869 20 30 CDEDLO C=CCCC(=O)[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000908658428 628318992 /nfs/dbraw/zinc/31/89/92/628318992.db2.gz BWBHTVMJBINTRQ-ZDUSSCGKSA-N 1 2 275.352 1.869 20 30 CDEDLO O=[N+]([O-])c1ccc(O)c(C=NNCC[NH+]2CCCCC2)c1 ZINC000915973394 631878191 /nfs/dbraw/zinc/87/81/91/631878191.db2.gz HHSCWRGJQNJLOP-UHFFFAOYSA-N 1 2 292.339 1.710 20 30 CDEDLO C=CCn1nnn(C[N@@H+](C)C2CCCC2)c1=S ZINC000919938221 632698462 /nfs/dbraw/zinc/69/84/62/632698462.db2.gz DMIGAWKWSOOLES-UHFFFAOYSA-N 1 2 253.375 1.827 20 30 CDEDLO C=CCn1nnn(C[N@H+](C)C2CCCC2)c1=S ZINC000919938221 632698471 /nfs/dbraw/zinc/69/84/71/632698471.db2.gz DMIGAWKWSOOLES-UHFFFAOYSA-N 1 2 253.375 1.827 20 30 CDEDLO C=CCCCNc1cc(N2CCC(C(N)=O)CC2)nc[nH+]1 ZINC001170298442 1162328599 /nfs/dbraw/zinc/32/85/99/1162328599.db2.gz ADMKNERXPFMEJU-UHFFFAOYSA-N 1 2 289.383 1.556 20 30 CDEDLO C=CCCCNc1cc(N2CCC(C(N)=O)CC2)[nH+]cn1 ZINC001170298442 1162328602 /nfs/dbraw/zinc/32/86/02/1162328602.db2.gz ADMKNERXPFMEJU-UHFFFAOYSA-N 1 2 289.383 1.556 20 30 CDEDLO N#Cc1c(N)nn(-c2ccc(-c3[nH]cc[nH+]3)cc2)c1N ZINC001213087527 1159193686 /nfs/dbraw/zinc/19/36/86/1159193686.db2.gz RFIULUMWIARFAZ-UHFFFAOYSA-N 1 2 265.280 1.298 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001132058294 1163157424 /nfs/dbraw/zinc/15/74/24/1163157424.db2.gz XOFVOSRQLSYZCV-TZMCWYRMSA-N 1 2 293.411 1.209 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001132058294 1163157426 /nfs/dbraw/zinc/15/74/26/1163157426.db2.gz XOFVOSRQLSYZCV-TZMCWYRMSA-N 1 2 293.411 1.209 20 30 CDEDLO COC(=O)n1ncc(C#N)c1Nc1c(N)[nH+]ccc1F ZINC001169971529 1162024736 /nfs/dbraw/zinc/02/47/36/1162024736.db2.gz ZZMCPPXEONEIHL-UHFFFAOYSA-N 1 2 276.231 1.229 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](CC2CCC2)NC(C)=O)CC1 ZINC001113256665 1162139044 /nfs/dbraw/zinc/13/90/44/1162139044.db2.gz IUFJWXUCLSJRTP-OAHLLOKOSA-N 1 2 293.411 1.012 20 30 CDEDLO CC[C@@H]1CCC[N@@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794626339 1164527938 /nfs/dbraw/zinc/52/79/38/1164527938.db2.gz HFOVXGHGZVXTJR-SNVBAGLBSA-N 1 2 265.386 1.849 20 30 CDEDLO CC[C@@H]1CCC[N@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794626339 1164527944 /nfs/dbraw/zinc/52/79/44/1164527944.db2.gz HFOVXGHGZVXTJR-SNVBAGLBSA-N 1 2 265.386 1.849 20 30 CDEDLO C=CCCC(=O)NCCC[NH2+]Cc1noc(CC(C)C)n1 ZINC001155593580 1167249576 /nfs/dbraw/zinc/24/95/76/1167249576.db2.gz LNPJOZCODUTAJY-UHFFFAOYSA-N 1 2 294.399 1.830 20 30 CDEDLO C#CC[NH2+]C[C@H]1CCCCN1C(=O)C(F)C(F)(F)F ZINC001673103116 1173825722 /nfs/dbraw/zinc/82/57/22/1173825722.db2.gz VXWWXPYAOPGILW-ZJUUUORDSA-N 1 2 280.265 1.491 20 30 CDEDLO C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](F)C(F)(F)F ZINC001673103116 1173825728 /nfs/dbraw/zinc/82/57/28/1173825728.db2.gz VXWWXPYAOPGILW-ZJUUUORDSA-N 1 2 280.265 1.491 20 30 CDEDLO Cc1c[nH+]cc(C)c1NC(=O)c1cc(C#N)ccn1 ZINC001597684432 1174284704 /nfs/dbraw/zinc/28/47/04/1174284704.db2.gz XVBHVUFERVNXAL-UHFFFAOYSA-N 1 2 252.277 1.639 20 30 CDEDLO C=CC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001602847017 1175431731 /nfs/dbraw/zinc/43/17/31/1175431731.db2.gz FNEUWBIULHXNEA-UHFFFAOYSA-N 1 2 274.284 1.393 20 30 CDEDLO C=CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001602847017 1175431735 /nfs/dbraw/zinc/43/17/35/1175431735.db2.gz FNEUWBIULHXNEA-UHFFFAOYSA-N 1 2 274.284 1.393 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CCCOC1 ZINC001713447626 1178563635 /nfs/dbraw/zinc/56/36/35/1178563635.db2.gz BCKJPPUIYMWTPF-NSHDSACASA-N 1 2 260.765 1.214 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CCCOC1 ZINC001713447626 1178563638 /nfs/dbraw/zinc/56/36/38/1178563638.db2.gz BCKJPPUIYMWTPF-NSHDSACASA-N 1 2 260.765 1.214 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001714329558 1179086200 /nfs/dbraw/zinc/08/62/00/1179086200.db2.gz WEJZHOBTACWAGH-RYUDHWBXSA-N 1 2 294.424 1.831 20 30 CDEDLO CC#CCN1CC[NH+](CCNC(=O)C2CCCCC2)CC1 ZINC001752360287 1184854250 /nfs/dbraw/zinc/85/42/50/1184854250.db2.gz LHBUGUFQTVAWRK-UHFFFAOYSA-N 1 2 291.439 1.324 20 30 CDEDLO CC#CCCCC(=O)NC[C@H](C)[NH2+]Cc1nncs1 ZINC001752892774 1184952754 /nfs/dbraw/zinc/95/27/54/1184952754.db2.gz KDLYADDFCKTFKA-NSHDSACASA-N 1 2 280.397 1.326 20 30 CDEDLO C[C@H](CC(=O)NC1(CNCC#N)CCCC1)n1cc[nH+]c1 ZINC001753509175 1185240992 /nfs/dbraw/zinc/24/09/92/1185240992.db2.gz KLYBQNGBYKCCNR-CYBMUJFWSA-N 1 2 289.383 1.376 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)CC[C@H](C)CC)C1 ZINC001753654345 1185289272 /nfs/dbraw/zinc/28/92/72/1185289272.db2.gz UEXWCMPACBOLEQ-KGLIPLIRSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)CC[C@H](C)CC)C1 ZINC001753654345 1185289278 /nfs/dbraw/zinc/28/92/78/1185289278.db2.gz UEXWCMPACBOLEQ-KGLIPLIRSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)c1[nH]ncc1F ZINC001753996630 1185415119 /nfs/dbraw/zinc/41/51/19/1185415119.db2.gz JVDXPHRHJZRPBM-QMMMGPOBSA-N 1 2 274.727 1.399 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1ccc[nH]1 ZINC001754332717 1185584161 /nfs/dbraw/zinc/58/41/61/1185584161.db2.gz GJIXMMNUKFURGO-LLVKDONJSA-N 1 2 269.776 1.746 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1ccc[nH]1 ZINC001754332717 1185584165 /nfs/dbraw/zinc/58/41/65/1185584165.db2.gz GJIXMMNUKFURGO-LLVKDONJSA-N 1 2 269.776 1.746 20 30 CDEDLO CC(C)c1nc(C[NH2+]CCCN(C)C(=O)[C@H](C)C#N)no1 ZINC001754363194 1185597772 /nfs/dbraw/zinc/59/77/72/1185597772.db2.gz NEXOXTOCLXYNRC-LLVKDONJSA-N 1 2 293.371 1.291 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)C(C)(C)C)C1 ZINC001754586696 1185676241 /nfs/dbraw/zinc/67/62/41/1185676241.db2.gz XCPPIXOERIZLBS-UHFFFAOYSA-N 1 2 254.374 1.378 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@H](C)CC)CC2)C1 ZINC001755174787 1185839865 /nfs/dbraw/zinc/83/98/65/1185839865.db2.gz YHMKJRUNYMPXDT-OAHLLOKOSA-N 1 2 292.423 1.749 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C[C@H](C)CC)CC2)C1 ZINC001755174787 1185839875 /nfs/dbraw/zinc/83/98/75/1185839875.db2.gz YHMKJRUNYMPXDT-OAHLLOKOSA-N 1 2 292.423 1.749 20 30 CDEDLO C#CCC[NH+]1CC([C@@H](C)NC(=O)C(F)C(F)(F)F)C1 ZINC001755377833 1185934344 /nfs/dbraw/zinc/93/43/44/1185934344.db2.gz YNBLFRFNNZGGRI-SCZZXKLOSA-N 1 2 280.265 1.347 20 30 CDEDLO C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001755377833 1185934349 /nfs/dbraw/zinc/93/43/49/1185934349.db2.gz YNBLFRFNNZGGRI-SCZZXKLOSA-N 1 2 280.265 1.347 20 30 CDEDLO C[C@H](CCC[NH2+]CC(F)(F)C(F)F)NC(=O)[C@H](C)C#N ZINC001755490482 1185969748 /nfs/dbraw/zinc/96/97/48/1185969748.db2.gz RAYJDKXTFLHRLN-RKDXNWHRSA-N 1 2 297.296 1.921 20 30 CDEDLO Cc1noc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C#CC(C)C)C2)n1 ZINC001755678904 1186035752 /nfs/dbraw/zinc/03/57/52/1186035752.db2.gz QAJGJOSGCAPMJS-DGCLKSJQSA-N 1 2 290.367 1.116 20 30 CDEDLO Cn1ncnc1C[NH2+]Cc1cccc(OCC#N)c1 ZINC000389329002 1187273528 /nfs/dbraw/zinc/27/35/28/1187273528.db2.gz BLGCNFATHGYCBD-UHFFFAOYSA-N 1 2 257.297 1.007 20 30 CDEDLO C=CC[NH+]1CCN(c2nc(C)ncc2[N+](=O)[O-])CC1 ZINC001165031380 721866021 /nfs/dbraw/zinc/86/60/21/721866021.db2.gz GOEQKKBJBUUHCP-UHFFFAOYSA-N 1 2 263.301 1.001 20 30 CDEDLO C=CCN1CCN(C[N@H+]2CCC(F)(F)[C@@H](C)C2)C1=O ZINC000840071454 753863197 /nfs/dbraw/zinc/86/31/97/753863197.db2.gz DYLORGMOCAXBSW-NSHDSACASA-N 1 2 273.327 1.845 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnsn3)[C@@H]2C1 ZINC001075570888 754500269 /nfs/dbraw/zinc/50/02/69/754500269.db2.gz ZIMBMDCPJYEZJN-GXSJLCMTSA-N 1 2 298.799 1.437 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnsn3)[C@@H]2C1 ZINC001075570888 754500279 /nfs/dbraw/zinc/50/02/79/754500279.db2.gz ZIMBMDCPJYEZJN-GXSJLCMTSA-N 1 2 298.799 1.437 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(OCC)CCCC1 ZINC000818267124 754836843 /nfs/dbraw/zinc/83/68/43/754836843.db2.gz VAVMWNFLAYDXFP-AWEZNQCLSA-N 1 2 278.396 1.550 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(OCC)CCCC1 ZINC000818267124 754836846 /nfs/dbraw/zinc/83/68/46/754836846.db2.gz VAVMWNFLAYDXFP-AWEZNQCLSA-N 1 2 278.396 1.550 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCOCC2)C1 ZINC001010804478 754965624 /nfs/dbraw/zinc/96/56/24/754965624.db2.gz CNTGGPBLRQSSJE-QWHCGFSZSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCOCC2)C1 ZINC001010804478 754965630 /nfs/dbraw/zinc/96/56/30/754965630.db2.gz CNTGGPBLRQSSJE-QWHCGFSZSA-N 1 2 286.803 1.746 20 30 CDEDLO C=CCC1(O)CC[NH+](CC(=O)NCC(F)(F)F)CC1 ZINC000717450875 755379081 /nfs/dbraw/zinc/37/90/81/755379081.db2.gz JHSYJEHNNDVEDY-UHFFFAOYSA-N 1 2 280.290 1.068 20 30 CDEDLO C#CCOCCOC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000798842947 753844625 /nfs/dbraw/zinc/84/46/25/753844625.db2.gz XRFDNPDMGFICOH-CQSZACIVSA-N 1 2 261.321 1.482 20 30 CDEDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)C[C@H](O)CC#N ZINC000929996398 753850190 /nfs/dbraw/zinc/85/01/90/753850190.db2.gz KMZCHGRMAFDEEI-CQSZACIVSA-N 1 2 289.379 1.838 20 30 CDEDLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)C[C@H](O)CC#N ZINC000929996398 753850191 /nfs/dbraw/zinc/85/01/91/753850191.db2.gz KMZCHGRMAFDEEI-CQSZACIVSA-N 1 2 289.379 1.838 20 30 CDEDLO CC[C@@H](C#N)C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874888497 753862461 /nfs/dbraw/zinc/86/24/61/753862461.db2.gz PDISRKBSJDDMPC-FZMZJTMJSA-N 1 2 275.327 1.848 20 30 CDEDLO C=CCN1CCN(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)C1=O ZINC000840071454 753863195 /nfs/dbraw/zinc/86/31/95/753863195.db2.gz DYLORGMOCAXBSW-NSHDSACASA-N 1 2 273.327 1.845 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(C)(F)F)CC1 ZINC001017957881 753867505 /nfs/dbraw/zinc/86/75/05/753867505.db2.gz XLGMHQUJZSYLOH-TXEJJXNPSA-N 1 2 282.334 1.730 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(C)(F)F)CC1 ZINC001017957881 753867506 /nfs/dbraw/zinc/86/75/06/753867506.db2.gz XLGMHQUJZSYLOH-TXEJJXNPSA-N 1 2 282.334 1.730 20 30 CDEDLO C[C@H](CCC#N)[NH+]1CCN(Cc2cncs2)CC1 ZINC000931360256 753872834 /nfs/dbraw/zinc/87/28/34/753872834.db2.gz WEMUTVNQNNWDFM-GFCCVEGCSA-N 1 2 264.398 1.953 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc3ncn(C)c32)C1 ZINC001030550963 753892216 /nfs/dbraw/zinc/89/22/16/753892216.db2.gz UUEAWSZXMSAIJZ-UHFFFAOYSA-N 1 2 284.363 1.563 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c(s1)CCOC2 ZINC001038939038 753892626 /nfs/dbraw/zinc/89/26/26/753892626.db2.gz ODPPLKVXKLJDCJ-GFCCVEGCSA-N 1 2 292.404 1.811 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2c(s1)CCOC2 ZINC001038939038 753892629 /nfs/dbraw/zinc/89/26/29/753892629.db2.gz ODPPLKVXKLJDCJ-GFCCVEGCSA-N 1 2 292.404 1.811 20 30 CDEDLO C[C@H]1C(=NNS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000811645033 753989439 /nfs/dbraw/zinc/98/94/39/753989439.db2.gz VTEAHFQUFBKZQW-NSHDSACASA-N 1 2 281.381 1.186 20 30 CDEDLO C[C@H]1C(=NNS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000811645033 753989445 /nfs/dbraw/zinc/98/94/45/753989445.db2.gz VTEAHFQUFBKZQW-NSHDSACASA-N 1 2 281.381 1.186 20 30 CDEDLO N#CCC[NH2+]CCS(=O)(=O)Cc1ccccc1 ZINC000818977589 754021421 /nfs/dbraw/zinc/02/14/21/754021421.db2.gz YTACMZBARXSLQV-UHFFFAOYSA-N 1 2 252.339 1.105 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(N(C)C)c1 ZINC001032659798 754035837 /nfs/dbraw/zinc/03/58/37/754035837.db2.gz MKLJIEDHVLDRDB-GJZGRUSLSA-N 1 2 298.390 1.070 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(N(C)C)c1 ZINC001032659798 754035846 /nfs/dbraw/zinc/03/58/46/754035846.db2.gz MKLJIEDHVLDRDB-GJZGRUSLSA-N 1 2 298.390 1.070 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000884048414 754051471 /nfs/dbraw/zinc/05/14/71/754051471.db2.gz KEVVFEZILCLMAS-SRVKXCTJSA-N 1 2 268.357 1.128 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000884312294 754060289 /nfs/dbraw/zinc/06/02/89/754060289.db2.gz ARURXSWGEDNGQC-RFQIPJPRSA-N 1 2 294.395 1.470 20 30 CDEDLO CN(C)c1[nH+]cc(C=C2C(=O)c3ccccc3C2=O)n1C ZINC000821021607 754066060 /nfs/dbraw/zinc/06/60/60/754066060.db2.gz JFAZRIPOIQGWAX-UHFFFAOYSA-N 1 2 281.315 1.949 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(OC)cs2)C1 ZINC000923573563 754091418 /nfs/dbraw/zinc/09/14/18/754091418.db2.gz QPXQBFFASBXUEL-LLVKDONJSA-N 1 2 278.377 1.584 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(OC)cs2)C1 ZINC000923573563 754091425 /nfs/dbraw/zinc/09/14/25/754091425.db2.gz QPXQBFFASBXUEL-LLVKDONJSA-N 1 2 278.377 1.584 20 30 CDEDLO CCn1nc(C)c(C[NH2+]Cc2ccc(C#N)cc2)n1 ZINC000823666051 754099129 /nfs/dbraw/zinc/09/91/29/754099129.db2.gz DXAOAQCVLIUVAK-UHFFFAOYSA-N 1 2 255.325 1.768 20 30 CDEDLO C#CCSCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000887621587 754165962 /nfs/dbraw/zinc/16/59/62/754165962.db2.gz QXWOBHDBHZLZAU-UHFFFAOYSA-N 1 2 275.377 1.097 20 30 CDEDLO C=CCNC(=O)C[NH2+]Cc1c(Cl)cncc1Cl ZINC000865521818 754193081 /nfs/dbraw/zinc/19/30/81/754193081.db2.gz HRKHZHHCEUQFCC-UHFFFAOYSA-N 1 2 274.151 1.780 20 30 CDEDLO C=CCN(CC=C)C(=O)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845278712 754258627 /nfs/dbraw/zinc/25/86/27/754258627.db2.gz QNNZXZZLJBEHQI-ZDUSSCGKSA-N 1 2 291.351 1.578 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001050862896 754302951 /nfs/dbraw/zinc/30/29/51/754302951.db2.gz XSYIBECSFHNCFL-WCVJEAGWSA-N 1 2 292.423 1.816 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001050862896 754302956 /nfs/dbraw/zinc/30/29/56/754302956.db2.gz XSYIBECSFHNCFL-WCVJEAGWSA-N 1 2 292.423 1.816 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)C[C@@H]1CC ZINC000884143728 754305577 /nfs/dbraw/zinc/30/55/77/754305577.db2.gz PNUQHAVOGREERS-SRVKXCTJSA-N 1 2 268.357 1.080 20 30 CDEDLO N#CCc1cccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)n1 ZINC000882472491 754328583 /nfs/dbraw/zinc/32/85/83/754328583.db2.gz ACNMLUIFIXVHNT-LLVKDONJSA-N 1 2 281.319 1.545 20 30 CDEDLO CC[C@@H](F)C[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038175403 754388547 /nfs/dbraw/zinc/38/85/47/754388547.db2.gz OQSPSBCSAFTCGK-YPMHNXCESA-N 1 2 278.331 1.439 20 30 CDEDLO CC[C@@H](F)C[N@H+]1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038175403 754388554 /nfs/dbraw/zinc/38/85/54/754388554.db2.gz OQSPSBCSAFTCGK-YPMHNXCESA-N 1 2 278.331 1.439 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(OC)cc(OC)c2)C1 ZINC001031307039 754393200 /nfs/dbraw/zinc/39/32/00/754393200.db2.gz OWEABMOZQCLZRP-UHFFFAOYSA-N 1 2 288.347 1.141 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1cnc([C@@H](C)O)s1 ZINC000809652586 754411238 /nfs/dbraw/zinc/41/12/38/754411238.db2.gz LLJDYSJVLPAQFN-SNVBAGLBSA-N 1 2 256.371 1.831 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1cnc([C@@H](C)O)s1 ZINC000809652586 754411244 /nfs/dbraw/zinc/41/12/44/754411244.db2.gz LLJDYSJVLPAQFN-SNVBAGLBSA-N 1 2 256.371 1.831 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc[nH]1 ZINC001054032854 754413650 /nfs/dbraw/zinc/41/36/50/754413650.db2.gz JXWBOZFKYCQPEZ-INIZCTEOSA-N 1 2 293.370 1.805 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc[nH]1 ZINC001054032854 754413651 /nfs/dbraw/zinc/41/36/51/754413651.db2.gz JXWBOZFKYCQPEZ-INIZCTEOSA-N 1 2 293.370 1.805 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1OC ZINC001038945639 754435433 /nfs/dbraw/zinc/43/54/33/754435433.db2.gz SZAZTCDQVSNSRR-LBPRGKRZSA-N 1 2 258.321 1.133 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1OC ZINC001038945639 754435441 /nfs/dbraw/zinc/43/54/41/754435441.db2.gz SZAZTCDQVSNSRR-LBPRGKRZSA-N 1 2 258.321 1.133 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnnn2C)[C@H]1C ZINC000993278076 754453409 /nfs/dbraw/zinc/45/34/09/754453409.db2.gz GXTLMOYUAKPPTE-MNOVXSKESA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnnn2C)[C@H]1C ZINC000993278076 754453412 /nfs/dbraw/zinc/45/34/12/754453412.db2.gz GXTLMOYUAKPPTE-MNOVXSKESA-N 1 2 297.790 1.150 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CC1CCCC1 ZINC000884112345 754472986 /nfs/dbraw/zinc/47/29/86/754472986.db2.gz JKGCRCHPVFUHGS-LBPRGKRZSA-N 1 2 268.357 1.082 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OCC2CC2)nc1 ZINC001039042850 754475027 /nfs/dbraw/zinc/47/50/27/754475027.db2.gz YBAYFRNFSXFFQP-OAHLLOKOSA-N 1 2 299.374 1.308 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OCC2CC2)nc1 ZINC001039042850 754475032 /nfs/dbraw/zinc/47/50/32/754475032.db2.gz YBAYFRNFSXFFQP-OAHLLOKOSA-N 1 2 299.374 1.308 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000881211520 754482810 /nfs/dbraw/zinc/48/28/10/754482810.db2.gz BBBMMDFDMCUHLB-UHFFFAOYSA-N 1 2 299.334 1.656 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)SC ZINC001032359382 754533268 /nfs/dbraw/zinc/53/32/68/754533268.db2.gz UGROWDMTDJVUFO-SRVKXCTJSA-N 1 2 254.399 1.599 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)SC ZINC001032359382 754533286 /nfs/dbraw/zinc/53/32/86/754533286.db2.gz UGROWDMTDJVUFO-SRVKXCTJSA-N 1 2 254.399 1.599 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001007787409 754550980 /nfs/dbraw/zinc/55/09/80/754550980.db2.gz SUVNKHOYQYEQKT-CYBMUJFWSA-N 1 2 283.331 1.655 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001007787409 754550994 /nfs/dbraw/zinc/55/09/94/754550994.db2.gz SUVNKHOYQYEQKT-CYBMUJFWSA-N 1 2 283.331 1.655 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2coc(C3CC3)n2)C1 ZINC001031061598 754561162 /nfs/dbraw/zinc/56/11/62/754561162.db2.gz KAMLMJYBJDWCBN-UHFFFAOYSA-N 1 2 261.325 1.542 20 30 CDEDLO Cc1cc(C)c(C(=O)N[C@@H]2[C@H]3CN(CC#N)C[C@H]32)c(C)[nH+]1 ZINC000961317865 754582395 /nfs/dbraw/zinc/58/23/95/754582395.db2.gz ZULLVQQHQAVOHO-NHAGDIPZSA-N 1 2 284.363 1.190 20 30 CDEDLO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2[nH]nc(C)c2C)C1 ZINC001046199420 754589715 /nfs/dbraw/zinc/58/97/15/754589715.db2.gz GVVUNNOBQXOXLV-AWEZNQCLSA-N 1 2 262.357 1.407 20 30 CDEDLO C=CC[N@H+]1CC[C@](C)(NC(=O)c2[nH]nc(C)c2C)C1 ZINC001046199420 754589714 /nfs/dbraw/zinc/58/97/14/754589714.db2.gz GVVUNNOBQXOXLV-AWEZNQCLSA-N 1 2 262.357 1.407 20 30 CDEDLO C[C@H](C#N)OCC[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000801943497 754594886 /nfs/dbraw/zinc/59/48/86/754594886.db2.gz XBVUWXHWCYESQZ-GFCCVEGCSA-N 1 2 282.388 1.041 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ncc[nH]1 ZINC001027871890 754599126 /nfs/dbraw/zinc/59/91/26/754599126.db2.gz KAQKATWKJOQLEN-JTQLQIEISA-N 1 2 268.748 1.356 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ncc[nH]1 ZINC001027871890 754599137 /nfs/dbraw/zinc/59/91/37/754599137.db2.gz KAQKATWKJOQLEN-JTQLQIEISA-N 1 2 268.748 1.356 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1(C)CCCC1 ZINC000884132609 754603657 /nfs/dbraw/zinc/60/36/57/754603657.db2.gz UVAUQISYLVNDLJ-NSHDSACASA-N 1 2 268.357 1.130 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c3ccccc3nn2C)C1 ZINC001044138627 754604539 /nfs/dbraw/zinc/60/45/39/754604539.db2.gz WLKTUOVRQHXQGE-UHFFFAOYSA-N 1 2 298.390 1.906 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2cnc(CC)s2)CC[C@H]1C ZINC001072109866 754623702 /nfs/dbraw/zinc/62/37/02/754623702.db2.gz OBEMKFDKFMZTKL-VXGBXAGGSA-N 1 2 291.420 1.921 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2cnc(CC)s2)CC[C@H]1C ZINC001072109866 754623705 /nfs/dbraw/zinc/62/37/05/754623705.db2.gz OBEMKFDKFMZTKL-VXGBXAGGSA-N 1 2 291.420 1.921 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cc(F)ccc2N(C)C)nn1 ZINC000865608164 754630855 /nfs/dbraw/zinc/63/08/55/754630855.db2.gz CSAYIRHQVWKBCL-UHFFFAOYSA-N 1 2 289.358 1.959 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1OC ZINC001032747558 754659893 /nfs/dbraw/zinc/65/98/93/754659893.db2.gz CHWTXINNFJWLDY-KBPBESRZSA-N 1 2 284.359 1.617 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1OC ZINC001032747558 754659910 /nfs/dbraw/zinc/65/99/10/754659910.db2.gz CHWTXINNFJWLDY-KBPBESRZSA-N 1 2 284.359 1.617 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2nccs2)[C@H]1C ZINC000994059027 754665408 /nfs/dbraw/zinc/66/54/08/754665408.db2.gz LWSOMKGHSBCXHO-MNOVXSKESA-N 1 2 263.366 1.359 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2nccs2)[C@H]1C ZINC000994059027 754665419 /nfs/dbraw/zinc/66/54/19/754665419.db2.gz LWSOMKGHSBCXHO-MNOVXSKESA-N 1 2 263.366 1.359 20 30 CDEDLO C[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015529917 754680179 /nfs/dbraw/zinc/68/01/79/754680179.db2.gz QDMNSJBUEUNMDC-DAXOMENPSA-N 1 2 283.375 1.905 20 30 CDEDLO C[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015529917 754680186 /nfs/dbraw/zinc/68/01/86/754680186.db2.gz QDMNSJBUEUNMDC-DAXOMENPSA-N 1 2 283.375 1.905 20 30 CDEDLO O=[N+]([O-])c1ccccc1NC=C(O)NC1=[NH+]CCS1 ZINC000067290058 754718428 /nfs/dbraw/zinc/71/84/28/754718428.db2.gz IOLDNSDYOFWBTP-UHFFFAOYSA-N 1 2 280.309 1.226 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)n2cncn2)C1 ZINC001033023901 754719150 /nfs/dbraw/zinc/71/91/50/754719150.db2.gz YQNCOLCNNDHYKU-NWDGAFQWSA-N 1 2 297.790 1.124 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)n2cncn2)C1 ZINC001033023901 754719152 /nfs/dbraw/zinc/71/91/52/754719152.db2.gz YQNCOLCNNDHYKU-NWDGAFQWSA-N 1 2 297.790 1.124 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(CC)n[nH]2)C1 ZINC001010286271 754727898 /nfs/dbraw/zinc/72/78/98/754727898.db2.gz MKONCKNQWOICKM-LLVKDONJSA-N 1 2 282.775 1.529 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(CC)n[nH]2)C1 ZINC001010286271 754727902 /nfs/dbraw/zinc/72/79/02/754727902.db2.gz MKONCKNQWOICKM-LLVKDONJSA-N 1 2 282.775 1.529 20 30 CDEDLO C#CCC[N@@H+](CCOC)CC(=O)N(C)c1nccs1 ZINC000852752133 754785220 /nfs/dbraw/zinc/78/52/20/754785220.db2.gz UNVWWXUMSACFIP-UHFFFAOYSA-N 1 2 281.381 1.078 20 30 CDEDLO C#CCC[N@H+](CCOC)CC(=O)N(C)c1nccs1 ZINC000852752133 754785228 /nfs/dbraw/zinc/78/52/28/754785228.db2.gz UNVWWXUMSACFIP-UHFFFAOYSA-N 1 2 281.381 1.078 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc2c1COC2=O ZINC000809226363 754793239 /nfs/dbraw/zinc/79/32/39/754793239.db2.gz VXYKVMTYNDFLCS-AWEZNQCLSA-N 1 2 284.315 1.393 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc2c1COC2=O ZINC000809226363 754793241 /nfs/dbraw/zinc/79/32/41/754793241.db2.gz VXYKVMTYNDFLCS-AWEZNQCLSA-N 1 2 284.315 1.393 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(CCC)nc1C ZINC001038854779 754830503 /nfs/dbraw/zinc/83/05/03/754830503.db2.gz NDZPDUIBQZODMZ-CYBMUJFWSA-N 1 2 274.368 1.039 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(CCC)nc1C ZINC001038854779 754830506 /nfs/dbraw/zinc/83/05/06/754830506.db2.gz NDZPDUIBQZODMZ-CYBMUJFWSA-N 1 2 274.368 1.039 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1C(C)C ZINC001018120531 754865871 /nfs/dbraw/zinc/86/58/71/754865871.db2.gz VDRJHNGDIMYHJU-XGUBFFRZSA-N 1 2 260.381 1.587 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1C(C)C ZINC001018120531 754865876 /nfs/dbraw/zinc/86/58/76/754865876.db2.gz VDRJHNGDIMYHJU-XGUBFFRZSA-N 1 2 260.381 1.587 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2cc[nH]c2n1 ZINC001017633530 754888861 /nfs/dbraw/zinc/88/88/61/754888861.db2.gz AYSCJXJWOYFTKA-OKILXGFUSA-N 1 2 294.358 1.485 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2cc[nH]c2n1 ZINC001017633530 754888863 /nfs/dbraw/zinc/88/88/63/754888863.db2.gz AYSCJXJWOYFTKA-OKILXGFUSA-N 1 2 294.358 1.485 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(COC)cs2)CC1 ZINC000825077716 754892806 /nfs/dbraw/zinc/89/28/06/754892806.db2.gz GFTXBTAOMCIGRP-UHFFFAOYSA-N 1 2 292.404 1.676 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1Cc2ccccc21 ZINC001017871187 754907828 /nfs/dbraw/zinc/90/78/28/754907828.db2.gz OQDHJCATBLBWGO-UXLLHSPISA-N 1 2 280.371 1.635 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1Cc2ccccc21 ZINC001017871187 754907833 /nfs/dbraw/zinc/90/78/33/754907833.db2.gz OQDHJCATBLBWGO-UXLLHSPISA-N 1 2 280.371 1.635 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)nsc1C ZINC001039054677 754909957 /nfs/dbraw/zinc/90/99/57/754909957.db2.gz VEHAKRJNODFLPF-GFCCVEGCSA-N 1 2 277.393 1.587 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)nsc1C ZINC001039054677 754909964 /nfs/dbraw/zinc/90/99/64/754909964.db2.gz VEHAKRJNODFLPF-GFCCVEGCSA-N 1 2 277.393 1.587 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OCC)nc1 ZINC001032431160 754918122 /nfs/dbraw/zinc/91/81/22/754918122.db2.gz VKKCEIPPXKHDMV-KBPBESRZSA-N 1 2 285.347 1.012 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OCC)nc1 ZINC001032431160 754918129 /nfs/dbraw/zinc/91/81/29/754918129.db2.gz VKKCEIPPXKHDMV-KBPBESRZSA-N 1 2 285.347 1.012 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1(C3CC3)CC1)CCO2 ZINC001053298087 754926032 /nfs/dbraw/zinc/92/60/32/754926032.db2.gz FKERXPIBZPZHQX-UHFFFAOYSA-N 1 2 290.407 1.666 20 30 CDEDLO Nc1ncc2c(n1)CCCC2=[NH+]Nc1ccnc(F)c1 ZINC000814902776 754950546 /nfs/dbraw/zinc/95/05/46/754950546.db2.gz VDJOWYQBLZWJKT-UHFFFAOYSA-N 1 2 272.287 1.745 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(CF)cc1 ZINC001039066411 754972069 /nfs/dbraw/zinc/97/20/69/754972069.db2.gz GXWSRQHAWWOMLW-AWEZNQCLSA-N 1 2 260.312 1.593 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(CF)cc1 ZINC001039066411 754972073 /nfs/dbraw/zinc/97/20/73/754972073.db2.gz GXWSRQHAWWOMLW-AWEZNQCLSA-N 1 2 260.312 1.593 20 30 CDEDLO CC(C)C#CC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000834559833 755003807 /nfs/dbraw/zinc/00/38/07/755003807.db2.gz SAYSCNNRASDDRK-ZDUSSCGKSA-N 1 2 259.353 1.786 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1ccco1 ZINC001018054303 755010202 /nfs/dbraw/zinc/01/02/02/755010202.db2.gz HNVWVVLBXJUCRS-SOUVJXGZSA-N 1 2 286.375 1.767 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1ccco1 ZINC001018054303 755010205 /nfs/dbraw/zinc/01/02/05/755010205.db2.gz HNVWVVLBXJUCRS-SOUVJXGZSA-N 1 2 286.375 1.767 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2cccnc21 ZINC001032581184 755043148 /nfs/dbraw/zinc/04/31/48/755043148.db2.gz LGBOADYNRKPXGB-HRCADAONSA-N 1 2 295.386 1.420 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2cccnc21 ZINC001032581184 755043151 /nfs/dbraw/zinc/04/31/51/755043151.db2.gz LGBOADYNRKPXGB-HRCADAONSA-N 1 2 295.386 1.420 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C)co1 ZINC001051075460 755044136 /nfs/dbraw/zinc/04/41/36/755044136.db2.gz YBALCCHYMWPUME-CYBMUJFWSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C)co1 ZINC001051075460 755044139 /nfs/dbraw/zinc/04/41/39/755044139.db2.gz YBALCCHYMWPUME-CYBMUJFWSA-N 1 2 278.352 1.595 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C(C)C)n(C)n2)C1 ZINC001042705892 755052278 /nfs/dbraw/zinc/05/22/78/755052278.db2.gz PEUBGAWPDOIUSC-UHFFFAOYSA-N 1 2 290.411 1.876 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001030685804 755117908 /nfs/dbraw/zinc/11/79/08/755117908.db2.gz FNTAMVSHFHOWSE-MRXNPFEDSA-N 1 2 286.350 1.679 20 30 CDEDLO CCS(=O)(=O)CCCCCO[NH+]=C(N)c1ccccc1 ZINC000190600873 755127593 /nfs/dbraw/zinc/12/75/93/755127593.db2.gz INWDOGDISOHKJX-UHFFFAOYSA-N 1 2 298.408 1.929 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCOC1 ZINC001018109485 755177497 /nfs/dbraw/zinc/17/74/97/755177497.db2.gz FTBAYHHHYKHAAP-IJEWVQPXSA-N 1 2 276.380 1.112 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCOC1 ZINC001018109485 755177505 /nfs/dbraw/zinc/17/75/05/755177505.db2.gz FTBAYHHHYKHAAP-IJEWVQPXSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc3ccsc3[nH]2)C1 ZINC001030765769 755177553 /nfs/dbraw/zinc/17/75/53/755177553.db2.gz LRKALKNXCJSOQG-UHFFFAOYSA-N 1 2 273.361 1.667 20 30 CDEDLO Cc1nccnc1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000877745402 755202663 /nfs/dbraw/zinc/20/26/63/755202663.db2.gz SLWSVZIJRFVOGW-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccns2)C1 ZINC001035383991 755229430 /nfs/dbraw/zinc/22/94/30/755229430.db2.gz FJTKYMWVVNLLTM-NSHDSACASA-N 1 2 281.381 1.150 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccns2)C1 ZINC001035383991 755229432 /nfs/dbraw/zinc/22/94/32/755229432.db2.gz FJTKYMWVVNLLTM-NSHDSACASA-N 1 2 281.381 1.150 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cccn2C)C1 ZINC001046150119 755243926 /nfs/dbraw/zinc/24/39/26/755243926.db2.gz OKSWYFSCQHGFFO-AWEZNQCLSA-N 1 2 281.787 1.972 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cccn2C)C1 ZINC001046150119 755243928 /nfs/dbraw/zinc/24/39/28/755243928.db2.gz OKSWYFSCQHGFFO-AWEZNQCLSA-N 1 2 281.787 1.972 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(C)C)n[nH]1 ZINC001032642304 755251533 /nfs/dbraw/zinc/25/15/33/755251533.db2.gz HZFDVIZZUGSBBM-RYUDHWBXSA-N 1 2 272.352 1.065 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(C)C)n[nH]1 ZINC001032642304 755251535 /nfs/dbraw/zinc/25/15/35/755251535.db2.gz HZFDVIZZUGSBBM-RYUDHWBXSA-N 1 2 272.352 1.065 20 30 CDEDLO N#CCCNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000787356332 755274405 /nfs/dbraw/zinc/27/44/05/755274405.db2.gz QYGGKFJDIBLPHF-UHFFFAOYSA-N 1 2 278.381 1.489 20 30 CDEDLO Cn1cc[nH+]c1NN=Cc1ccc(OCC#N)cc1 ZINC000790305822 755285806 /nfs/dbraw/zinc/28/58/06/755285806.db2.gz OSJAUWYBNRWZGL-UHFFFAOYSA-N 1 2 255.281 1.768 20 30 CDEDLO C=CCCn1cc(C[NH2+]C[C@H](OC)C(F)(F)F)nn1 ZINC000850135063 755288481 /nfs/dbraw/zinc/28/84/81/755288481.db2.gz IQTIHKHCDXWBMI-JTQLQIEISA-N 1 2 278.278 1.521 20 30 CDEDLO C#CCC[NH+]1CCN(S(=O)(=O)CCCC2CC2)CC1 ZINC000884977034 755290281 /nfs/dbraw/zinc/29/02/81/755290281.db2.gz HPVKJVYFFYHULB-UHFFFAOYSA-N 1 2 284.425 1.147 20 30 CDEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)C(C)C)C2)CC1 ZINC001052093843 755306369 /nfs/dbraw/zinc/30/63/69/755306369.db2.gz QGVJOHOVSJGOPA-HOTGVXAUSA-N 1 2 291.439 1.130 20 30 CDEDLO CC(C)(O)CN[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000863140824 755317051 /nfs/dbraw/zinc/31/70/51/755317051.db2.gz UIPJMTHLUHPNKP-UHFFFAOYSA-N 1 2 265.357 1.964 20 30 CDEDLO C[C@H]1[C@H](NCC#N)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC000986541748 755351608 /nfs/dbraw/zinc/35/16/08/755351608.db2.gz BYUHCTPBAQKPSS-NWDGAFQWSA-N 1 2 283.335 1.050 20 30 CDEDLO Cc1ccn(C[N@@H+]2CCC[C@](C)(O)CC2)c(=O)c1C#N ZINC000794670937 755365552 /nfs/dbraw/zinc/36/55/52/755365552.db2.gz DJFFBJVQEHRNGS-HNNXBMFYSA-N 1 2 275.352 1.223 20 30 CDEDLO Cc1ccn(C[N@H+]2CCC[C@](C)(O)CC2)c(=O)c1C#N ZINC000794670937 755365556 /nfs/dbraw/zinc/36/55/56/755365556.db2.gz DJFFBJVQEHRNGS-HNNXBMFYSA-N 1 2 275.352 1.223 20 30 CDEDLO CCS(=O)(=O)C=C(C)NNc1cccc(Cl)[nH+]1 ZINC000793163125 755372255 /nfs/dbraw/zinc/37/22/55/755372255.db2.gz FXPKCLCKLCOCBP-UHFFFAOYSA-N 1 2 275.761 1.958 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3c[nH]nc32)C1 ZINC001030772060 755388599 /nfs/dbraw/zinc/38/85/99/755388599.db2.gz AWLUMCPXWVSCGC-UHFFFAOYSA-N 1 2 268.320 1.000 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1CCO[C@@H](C)C#N ZINC000801943378 755428285 /nfs/dbraw/zinc/42/82/85/755428285.db2.gz SNPSKIUSUVOLKP-SRVKXCTJSA-N 1 2 254.330 1.189 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1CCO[C@@H](C)C#N ZINC000801943378 755428293 /nfs/dbraw/zinc/42/82/93/755428293.db2.gz SNPSKIUSUVOLKP-SRVKXCTJSA-N 1 2 254.330 1.189 20 30 CDEDLO CC[C@@H](F)C[N@@H+]1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038140495 755485821 /nfs/dbraw/zinc/48/58/21/755485821.db2.gz OLUOFQUWMDCIHF-NEPJUHHUSA-N 1 2 278.331 1.439 20 30 CDEDLO CC[C@@H](F)C[N@H+]1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038140495 755485828 /nfs/dbraw/zinc/48/58/28/755485828.db2.gz OLUOFQUWMDCIHF-NEPJUHHUSA-N 1 2 278.331 1.439 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccsn1)CCO2 ZINC001053302094 755492318 /nfs/dbraw/zinc/49/23/18/755492318.db2.gz ARUUROSKQLVSQK-UHFFFAOYSA-N 1 2 293.392 1.246 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1csc(Cl)n1 ZINC001038890608 755546693 /nfs/dbraw/zinc/54/66/93/755546693.db2.gz IXMSPJLTHDTZTR-VIFPVBQESA-N 1 2 283.784 1.624 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1csc(Cl)n1 ZINC001038890608 755546699 /nfs/dbraw/zinc/54/66/99/755546699.db2.gz IXMSPJLTHDTZTR-VIFPVBQESA-N 1 2 283.784 1.624 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnc3nccnc3c2)C1 ZINC001042942239 755559714 /nfs/dbraw/zinc/55/97/14/755559714.db2.gz IFVMFFRCTZDTCZ-UHFFFAOYSA-N 1 2 297.362 1.357 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2[nH]nnc2C)CC1 ZINC001001020090 755598796 /nfs/dbraw/zinc/59/87/96/755598796.db2.gz LCSHKZRCENUNOW-UHFFFAOYSA-N 1 2 295.774 1.228 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2[nH]nnc2C)CC1 ZINC001001020090 755598800 /nfs/dbraw/zinc/59/88/00/755598800.db2.gz LCSHKZRCENUNOW-UHFFFAOYSA-N 1 2 295.774 1.228 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnccc2C)C1 ZINC001010422148 755621480 /nfs/dbraw/zinc/62/14/80/755621480.db2.gz UYEXUWWAHAVDCE-LBPRGKRZSA-N 1 2 279.771 1.947 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnccc2C)C1 ZINC001010422148 755621495 /nfs/dbraw/zinc/62/14/95/755621495.db2.gz UYEXUWWAHAVDCE-LBPRGKRZSA-N 1 2 279.771 1.947 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1c(C)cccc1OC ZINC000884305758 755638141 /nfs/dbraw/zinc/63/81/41/755638141.db2.gz HGKWDSOLPDWAPR-NSHDSACASA-N 1 2 292.335 1.389 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1F ZINC001018103620 755693560 /nfs/dbraw/zinc/69/35/60/755693560.db2.gz SGMINAVLTNRNJL-TXEJJXNPSA-N 1 2 275.327 1.696 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1F ZINC001018103620 755693564 /nfs/dbraw/zinc/69/35/64/755693564.db2.gz SGMINAVLTNRNJL-TXEJJXNPSA-N 1 2 275.327 1.696 20 30 CDEDLO C#CCC[C@@H](O)CNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817784872 755696740 /nfs/dbraw/zinc/69/67/40/755696740.db2.gz DVWFPCRIUQFJMY-CQSZACIVSA-N 1 2 275.352 1.272 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccsc1 ZINC001032624064 755715743 /nfs/dbraw/zinc/71/57/43/755715743.db2.gz WYMWIXLUVFRHON-UBHSHLNASA-N 1 2 274.389 1.770 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccsc1 ZINC001032624064 755715751 /nfs/dbraw/zinc/71/57/51/755715751.db2.gz WYMWIXLUVFRHON-UBHSHLNASA-N 1 2 274.389 1.770 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001035510800 755805677 /nfs/dbraw/zinc/80/56/77/755805677.db2.gz NQZOCWJBSWRTRI-FRRDWIJNSA-N 1 2 252.358 1.036 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001035510800 755805678 /nfs/dbraw/zinc/80/56/78/755805678.db2.gz NQZOCWJBSWRTRI-FRRDWIJNSA-N 1 2 252.358 1.036 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)c[nH]1 ZINC001032276063 755817577 /nfs/dbraw/zinc/81/75/77/755817577.db2.gz ZNEIUBQEBGXXNM-QWRGUYRKSA-N 1 2 263.728 1.200 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)c[nH]1 ZINC001032276063 755817579 /nfs/dbraw/zinc/81/75/79/755817579.db2.gz ZNEIUBQEBGXXNM-QWRGUYRKSA-N 1 2 263.728 1.200 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)c2cccnc2)C1 ZINC001031274658 755819150 /nfs/dbraw/zinc/81/91/50/755819150.db2.gz PCQMYLWFEVZTMR-LBPRGKRZSA-N 1 2 257.337 1.009 20 30 CDEDLO CC#CC(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000801183535 755824119 /nfs/dbraw/zinc/82/41/19/755824119.db2.gz PGGLUQUJHZIBHP-UHFFFAOYSA-N 1 2 299.374 1.313 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1ccc(C)cc1C ZINC001032776880 755833150 /nfs/dbraw/zinc/83/31/50/755833150.db2.gz FLKKPUYNFXKGCE-HOTGVXAUSA-N 1 2 298.386 1.601 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1ccc(C)cc1C ZINC001032776880 755833151 /nfs/dbraw/zinc/83/31/51/755833151.db2.gz FLKKPUYNFXKGCE-HOTGVXAUSA-N 1 2 298.386 1.601 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2ccc(OC)cc2)CC1 ZINC000159674688 755840956 /nfs/dbraw/zinc/84/09/56/755840956.db2.gz VQAZUZPEXHWPBH-UHFFFAOYSA-N 1 2 286.375 1.405 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1occ2c1CCCC2 ZINC001038958907 755857903 /nfs/dbraw/zinc/85/79/03/755857903.db2.gz QBYQTWSGFXOOFO-CQSZACIVSA-N 1 2 286.375 1.986 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1occ2c1CCCC2 ZINC001038958907 755857904 /nfs/dbraw/zinc/85/79/04/755857904.db2.gz QBYQTWSGFXOOFO-CQSZACIVSA-N 1 2 286.375 1.986 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3(CF)CC3)C[C@@H]21 ZINC001074336287 755870837 /nfs/dbraw/zinc/87/08/37/755870837.db2.gz MWTQYCXVALJVSQ-UONOGXRCSA-N 1 2 294.370 1.061 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(CF)CC3)C[C@@H]21 ZINC001074336287 755870840 /nfs/dbraw/zinc/87/08/40/755870840.db2.gz MWTQYCXVALJVSQ-UONOGXRCSA-N 1 2 294.370 1.061 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccc3nnn(C)c32)C1 ZINC001044382026 755877539 /nfs/dbraw/zinc/87/75/39/755877539.db2.gz LXRBFVADQPRJDZ-UHFFFAOYSA-N 1 2 299.378 1.301 20 30 CDEDLO C=CCN1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1=O ZINC000935797387 755886223 /nfs/dbraw/zinc/88/62/23/755886223.db2.gz RDJLDPSKZKOFKQ-CQSZACIVSA-N 1 2 298.346 1.422 20 30 CDEDLO CC#CC[N@H+]1CC[C@](C)(NC(=O)c2snnc2CC)C1 ZINC001046463361 755949200 /nfs/dbraw/zinc/94/92/00/755949200.db2.gz QGVCNKMFBUWTCW-AWEZNQCLSA-N 1 2 292.408 1.318 20 30 CDEDLO CC#CC[N@@H+]1CC[C@](C)(NC(=O)c2snnc2CC)C1 ZINC001046463361 755949205 /nfs/dbraw/zinc/94/92/05/755949205.db2.gz QGVCNKMFBUWTCW-AWEZNQCLSA-N 1 2 292.408 1.318 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1oc(C(C)C)nc1C ZINC001038788517 755978312 /nfs/dbraw/zinc/97/83/12/755978312.db2.gz TZWYMZVHEJOIRT-ZDUSSCGKSA-N 1 2 289.379 1.934 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1oc(C(C)C)nc1C ZINC001038788517 755978328 /nfs/dbraw/zinc/97/83/28/755978328.db2.gz TZWYMZVHEJOIRT-ZDUSSCGKSA-N 1 2 289.379 1.934 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nccn1C1CC1 ZINC000840742921 756011846 /nfs/dbraw/zinc/01/18/46/756011846.db2.gz LRAWQRSBYDAWHA-GFCCVEGCSA-N 1 2 280.397 1.516 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nccn1C1CC1 ZINC000840742921 756011853 /nfs/dbraw/zinc/01/18/53/756011853.db2.gz LRAWQRSBYDAWHA-GFCCVEGCSA-N 1 2 280.397 1.516 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ocnc2C2CC2)C1 ZINC000923560195 756022098 /nfs/dbraw/zinc/02/20/98/756022098.db2.gz PPNDFGCAMWIRNY-GFCCVEGCSA-N 1 2 273.336 1.379 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ocnc2C2CC2)C1 ZINC000923560195 756022108 /nfs/dbraw/zinc/02/21/08/756022108.db2.gz PPNDFGCAMWIRNY-GFCCVEGCSA-N 1 2 273.336 1.379 20 30 CDEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C)C(=O)OC ZINC000839169401 756025053 /nfs/dbraw/zinc/02/50/53/756025053.db2.gz SJZJADOXKRARJT-XQHKEYJVSA-N 1 2 281.352 1.119 20 30 CDEDLO C[C@@H](O)c1cc(NC[C@H](O)C[N@H+](C)CCC#N)ccc1F ZINC000819485207 756027175 /nfs/dbraw/zinc/02/71/75/756027175.db2.gz BOGJJPOOPUZCTP-YPMHNXCESA-N 1 2 295.358 1.497 20 30 CDEDLO C[C@@H](O)c1cc(NC[C@H](O)C[N@@H+](C)CCC#N)ccc1F ZINC000819485207 756027179 /nfs/dbraw/zinc/02/71/79/756027179.db2.gz BOGJJPOOPUZCTP-YPMHNXCESA-N 1 2 295.358 1.497 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1F ZINC001038017970 756041703 /nfs/dbraw/zinc/04/17/03/756041703.db2.gz GWJLIOJNFIROGI-LBPRGKRZSA-N 1 2 260.312 1.653 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1F ZINC001038017970 756041710 /nfs/dbraw/zinc/04/17/10/756041710.db2.gz GWJLIOJNFIROGI-LBPRGKRZSA-N 1 2 260.312 1.653 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CF)CCC1 ZINC001032637550 756047175 /nfs/dbraw/zinc/04/71/75/756047175.db2.gz PBWVZQRYWAPFIX-RYUDHWBXSA-N 1 2 250.317 1.045 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CF)CCC1 ZINC001032637550 756047181 /nfs/dbraw/zinc/04/71/81/756047181.db2.gz PBWVZQRYWAPFIX-RYUDHWBXSA-N 1 2 250.317 1.045 20 30 CDEDLO CCc1nc(N2CCN(C(=O)[C@@H](C)C#N)CC2)cc(C)[nH+]1 ZINC001055742639 756061776 /nfs/dbraw/zinc/06/17/76/756061776.db2.gz WSNCONJXDSGPPY-NSHDSACASA-N 1 2 287.367 1.156 20 30 CDEDLO CCCCCCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000869378789 756095991 /nfs/dbraw/zinc/09/59/91/756095991.db2.gz MZINBXINQPBGKZ-FPLPWBNLSA-N 1 2 268.401 1.961 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2C(C)C)C1 ZINC001035429701 756113655 /nfs/dbraw/zinc/11/36/55/756113655.db2.gz RMUCOIIQAMAORT-LBPRGKRZSA-N 1 2 292.383 1.150 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2C(C)C)C1 ZINC001035429701 756113667 /nfs/dbraw/zinc/11/36/67/756113667.db2.gz RMUCOIIQAMAORT-LBPRGKRZSA-N 1 2 292.383 1.150 20 30 CDEDLO C[C@@](C#N)(NC(=O)Cc1[nH]cc[nH+]1)C1CCCCC1 ZINC000827855475 756160871 /nfs/dbraw/zinc/16/08/71/756160871.db2.gz DRTBLXMHZRDSEP-AWEZNQCLSA-N 1 2 260.341 1.931 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(NC(C)=O)ccc1C ZINC001039099083 756183529 /nfs/dbraw/zinc/18/35/29/756183529.db2.gz TWNXPCKRKQMUBP-OAHLLOKOSA-N 1 2 299.374 1.391 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(NC(C)=O)ccc1C ZINC001039099083 756183544 /nfs/dbraw/zinc/18/35/44/756183544.db2.gz TWNXPCKRKQMUBP-OAHLLOKOSA-N 1 2 299.374 1.391 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001019332796 756292384 /nfs/dbraw/zinc/29/23/84/756292384.db2.gz YXGJDHJIAYFWIU-SWLSCSKDSA-N 1 2 292.383 1.671 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(F)F)CC1 ZINC001017549458 756311044 /nfs/dbraw/zinc/31/10/44/756311044.db2.gz ISFAFSBLTSZVSI-PHIMTYICSA-N 1 2 268.307 1.340 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(F)F)CC1 ZINC001017549458 756311048 /nfs/dbraw/zinc/31/10/48/756311048.db2.gz ISFAFSBLTSZVSI-PHIMTYICSA-N 1 2 268.307 1.340 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)(F)F ZINC001017958719 756352692 /nfs/dbraw/zinc/35/26/92/756352692.db2.gz KSYMJXICZJHCPU-UTUOFQBUSA-N 1 2 270.323 1.586 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)(F)F ZINC001017958719 756352700 /nfs/dbraw/zinc/35/27/00/756352700.db2.gz KSYMJXICZJHCPU-UTUOFQBUSA-N 1 2 270.323 1.586 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001007079923 756355677 /nfs/dbraw/zinc/35/56/77/756355677.db2.gz UXZFAKYFJYUSMV-LBPRGKRZSA-N 1 2 295.770 1.734 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001007079923 756355684 /nfs/dbraw/zinc/35/56/84/756355684.db2.gz UXZFAKYFJYUSMV-LBPRGKRZSA-N 1 2 295.770 1.734 20 30 CDEDLO C[C@H](c1ncccn1)[N@H+](C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971511878 756362354 /nfs/dbraw/zinc/36/23/54/756362354.db2.gz SRIFOMQQYOBJSN-UKRRQHHQSA-N 1 2 298.390 1.484 20 30 CDEDLO C[C@H](c1ncccn1)[N@@H+](C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971511878 756362359 /nfs/dbraw/zinc/36/23/59/756362359.db2.gz SRIFOMQQYOBJSN-UKRRQHHQSA-N 1 2 298.390 1.484 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2[nH]c3ccccc3c2OC)C1 ZINC001031453977 756367126 /nfs/dbraw/zinc/36/71/26/756367126.db2.gz LNOVTMURMJOAHR-UHFFFAOYSA-N 1 2 297.358 1.614 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000821705132 756377153 /nfs/dbraw/zinc/37/71/53/756377153.db2.gz YAIVIVKCVBLAEZ-MCIONIFRSA-N 1 2 266.385 1.568 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000821705132 756377149 /nfs/dbraw/zinc/37/71/49/756377149.db2.gz YAIVIVKCVBLAEZ-MCIONIFRSA-N 1 2 266.385 1.568 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ncoc1C ZINC001050835985 756385296 /nfs/dbraw/zinc/38/52/96/756385296.db2.gz KNLHETRGGUPKKF-ZDUSSCGKSA-N 1 2 293.367 1.380 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ncoc1C ZINC001050835985 756385303 /nfs/dbraw/zinc/38/53/03/756385303.db2.gz KNLHETRGGUPKKF-ZDUSSCGKSA-N 1 2 293.367 1.380 20 30 CDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccncc2)CC1 ZINC001004332916 756402139 /nfs/dbraw/zinc/40/21/39/756402139.db2.gz JTWMSKPJAIGXJN-INIZCTEOSA-N 1 2 298.390 1.922 20 30 CDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccncc2)CC1 ZINC001004332916 756402149 /nfs/dbraw/zinc/40/21/49/756402149.db2.gz JTWMSKPJAIGXJN-INIZCTEOSA-N 1 2 298.390 1.922 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(Cl)cccc1OC ZINC001039041273 756439243 /nfs/dbraw/zinc/43/92/43/756439243.db2.gz BJGWNOLPMPGFJX-LLVKDONJSA-N 1 2 292.766 1.786 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(Cl)cccc1OC ZINC001039041273 756439253 /nfs/dbraw/zinc/43/92/53/756439253.db2.gz BJGWNOLPMPGFJX-LLVKDONJSA-N 1 2 292.766 1.786 20 30 CDEDLO Cc1nnc([C@@H](C)[NH2+][C@H]2CCN(C(=O)C#CC3CC3)C2)o1 ZINC001018832046 756491801 /nfs/dbraw/zinc/49/18/01/756491801.db2.gz YJLNXYFXYYOHBV-MFKMUULPSA-N 1 2 288.351 1.043 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCN(C)C[C@H]2CO)cc1 ZINC000877643145 756516005 /nfs/dbraw/zinc/51/60/05/756516005.db2.gz AVUQKVPNKMQTLT-HIFRSBDPSA-N 1 2 289.379 1.086 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCN(C)C[C@H]2CO)cc1 ZINC000877643145 756516014 /nfs/dbraw/zinc/51/60/14/756516014.db2.gz AVUQKVPNKMQTLT-HIFRSBDPSA-N 1 2 289.379 1.086 20 30 CDEDLO CC(=O)N[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046086021 756532047 /nfs/dbraw/zinc/53/20/47/756532047.db2.gz FUGSQTPTQMHSNP-HNNXBMFYSA-N 1 2 275.327 1.798 20 30 CDEDLO CC(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046086021 756532053 /nfs/dbraw/zinc/53/20/53/756532053.db2.gz FUGSQTPTQMHSNP-HNNXBMFYSA-N 1 2 275.327 1.798 20 30 CDEDLO C=C[C@@](C)(O)c1cn(Cc2cc(OC)cc(C)[nH+]2)nn1 ZINC000881365172 756578352 /nfs/dbraw/zinc/57/83/52/756578352.db2.gz NWCMHGQQNBTCKN-CQSZACIVSA-N 1 2 274.324 1.432 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2nc(CCC)no2)CC1 ZINC000717425304 756587740 /nfs/dbraw/zinc/58/77/40/756587740.db2.gz TVBGBSPJYMYQOP-UHFFFAOYSA-N 1 2 265.357 1.925 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]ccc1C ZINC001017519555 756590146 /nfs/dbraw/zinc/59/01/46/756590146.db2.gz UAKYFAYOBUKCPV-OKILXGFUSA-N 1 2 271.364 1.635 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]ccc1C ZINC001017519555 756590158 /nfs/dbraw/zinc/59/01/58/756590158.db2.gz UAKYFAYOBUKCPV-OKILXGFUSA-N 1 2 271.364 1.635 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]1C(F)F ZINC001017617068 756590192 /nfs/dbraw/zinc/59/01/92/756590192.db2.gz JZZAPMLFPDDUJX-XJFOESAGSA-N 1 2 296.361 1.976 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]1C(F)F ZINC001017617068 756590204 /nfs/dbraw/zinc/59/02/04/756590204.db2.gz JZZAPMLFPDDUJX-XJFOESAGSA-N 1 2 296.361 1.976 20 30 CDEDLO C=C[C@@H](C)ONC(=O)NCCCCn1cc[nH+]c1 ZINC000845641124 756717578 /nfs/dbraw/zinc/71/75/78/756717578.db2.gz XZRGUNBQXIUXMC-LLVKDONJSA-N 1 2 252.318 1.469 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2cncs2)C1 ZINC001033763435 756723936 /nfs/dbraw/zinc/72/39/36/756723936.db2.gz PRBPIYOGCSWZHV-NSHDSACASA-N 1 2 263.366 1.313 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cncs2)C1 ZINC001033763435 756723947 /nfs/dbraw/zinc/72/39/47/756723947.db2.gz PRBPIYOGCSWZHV-NSHDSACASA-N 1 2 263.366 1.313 20 30 CDEDLO C=CC[N@H+]1CCC[C@H](NC(=O)c2[nH]nc(C)c2C)[C@@H]1C ZINC000993126709 756764769 /nfs/dbraw/zinc/76/47/69/756764769.db2.gz RLKBMZCWQSQKAQ-STQMWFEESA-N 1 2 276.384 1.795 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)c2[nH]nc(C)c2C)[C@@H]1C ZINC000993126709 756764775 /nfs/dbraw/zinc/76/47/75/756764775.db2.gz RLKBMZCWQSQKAQ-STQMWFEESA-N 1 2 276.384 1.795 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(Cl)cnn1CC ZINC001038291528 756781958 /nfs/dbraw/zinc/78/19/58/756781958.db2.gz AKTMCSDAZHWCFU-NSHDSACASA-N 1 2 294.786 1.384 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(Cl)cnn1CC ZINC001038291528 756781966 /nfs/dbraw/zinc/78/19/66/756781966.db2.gz AKTMCSDAZHWCFU-NSHDSACASA-N 1 2 294.786 1.384 20 30 CDEDLO C[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H](CO)O1 ZINC000787314769 756792926 /nfs/dbraw/zinc/79/29/26/756792926.db2.gz MBYNVRMIALPPBY-SWLSCSKDSA-N 1 2 276.336 1.171 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H](CO)O1 ZINC000787314769 756792934 /nfs/dbraw/zinc/79/29/34/756792934.db2.gz MBYNVRMIALPPBY-SWLSCSKDSA-N 1 2 276.336 1.171 20 30 CDEDLO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001007749816 756804799 /nfs/dbraw/zinc/80/47/99/756804799.db2.gz ZYWHKVRQYPSLNZ-LBPRGKRZSA-N 1 2 288.395 1.669 20 30 CDEDLO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001007749816 756804800 /nfs/dbraw/zinc/80/48/00/756804800.db2.gz ZYWHKVRQYPSLNZ-LBPRGKRZSA-N 1 2 288.395 1.669 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(COC)o2)C1 ZINC001043285155 756808264 /nfs/dbraw/zinc/80/82/64/756808264.db2.gz SQVKVBHAMJALRD-UHFFFAOYSA-N 1 2 276.336 1.206 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncc(C)cc1OC ZINC001038342504 756817237 /nfs/dbraw/zinc/81/72/37/756817237.db2.gz UDBHDIYIBPVVJJ-CYBMUJFWSA-N 1 2 287.363 1.226 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncc(C)cc1OC ZINC001038342504 756817238 /nfs/dbraw/zinc/81/72/38/756817238.db2.gz UDBHDIYIBPVVJJ-CYBMUJFWSA-N 1 2 287.363 1.226 20 30 CDEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1O ZINC001017499267 756836898 /nfs/dbraw/zinc/83/68/98/756836898.db2.gz GCXJEEJEXNVKEF-BETUJISGSA-N 1 2 285.347 1.099 20 30 CDEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1O ZINC001017499267 756836899 /nfs/dbraw/zinc/83/68/99/756836899.db2.gz GCXJEEJEXNVKEF-BETUJISGSA-N 1 2 285.347 1.099 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC([N@H+](C)Cc2csnn2)CC1 ZINC000985339818 756840855 /nfs/dbraw/zinc/84/08/55/756840855.db2.gz ZYXQZXZOLVLCNK-JTQLQIEISA-N 1 2 293.396 1.121 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC([N@@H+](C)Cc2csnn2)CC1 ZINC000985339818 756840859 /nfs/dbraw/zinc/84/08/59/756840859.db2.gz ZYXQZXZOLVLCNK-JTQLQIEISA-N 1 2 293.396 1.121 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccnn2C)C1 ZINC001032945020 756862493 /nfs/dbraw/zinc/86/24/93/756862493.db2.gz MUGXJGBOBCGCEY-NSHDSACASA-N 1 2 282.775 1.319 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccnn2C)C1 ZINC001032945020 756862495 /nfs/dbraw/zinc/86/24/95/756862495.db2.gz MUGXJGBOBCGCEY-NSHDSACASA-N 1 2 282.775 1.319 20 30 CDEDLO CNC(=O)c1cccc(CO[NH+]=C(N)c2ccccc2)c1 ZINC000072949414 756865927 /nfs/dbraw/zinc/86/59/27/756865927.db2.gz CXRNSPJUUWOXON-UHFFFAOYSA-N 1 2 283.331 1.883 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000827440112 756874247 /nfs/dbraw/zinc/87/42/47/756874247.db2.gz OREMAYIBIQNKAX-QGZVFWFLSA-N 1 2 293.455 1.827 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3c2CCCCC3)C1 ZINC001016264725 756875863 /nfs/dbraw/zinc/87/58/63/756875863.db2.gz VPBAIKDHZZOFDQ-LBPRGKRZSA-N 1 2 288.395 1.669 20 30 CDEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2[nH]nc3c2CCCCC3)C1 ZINC001016264725 756875864 /nfs/dbraw/zinc/87/58/64/756875864.db2.gz VPBAIKDHZZOFDQ-LBPRGKRZSA-N 1 2 288.395 1.669 20 30 CDEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2ncccc2C)CC1 ZINC000886780238 756883687 /nfs/dbraw/zinc/88/36/87/756883687.db2.gz GDYYQFHQYYRHQP-UHFFFAOYSA-N 1 2 289.379 1.732 20 30 CDEDLO C=C(C)COCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934792672 756886716 /nfs/dbraw/zinc/88/67/16/756886716.db2.gz HLZFULKQQVVWPG-UHFFFAOYSA-N 1 2 259.309 1.885 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010650369 756891084 /nfs/dbraw/zinc/89/10/84/756891084.db2.gz LEGRRZIRWBGVRL-LLVKDONJSA-N 1 2 278.743 1.443 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010650369 756891085 /nfs/dbraw/zinc/89/10/85/756891085.db2.gz LEGRRZIRWBGVRL-LLVKDONJSA-N 1 2 278.743 1.443 20 30 CDEDLO COC(=O)C1([NH2+]C[C@H](O)CC2(C#N)CCC2)CCCC1 ZINC000886087448 756891166 /nfs/dbraw/zinc/89/11/66/756891166.db2.gz UDBPDTUTTTZYSK-GFCCVEGCSA-N 1 2 280.368 1.507 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001038989714 756893153 /nfs/dbraw/zinc/89/31/53/756893153.db2.gz LCBQUEXLCYNDJD-HNNXBMFYSA-N 1 2 256.349 1.741 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001038989714 756893155 /nfs/dbraw/zinc/89/31/55/756893155.db2.gz LCBQUEXLCYNDJD-HNNXBMFYSA-N 1 2 256.349 1.741 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2nnc[nH]2)C1 ZINC001025561594 756898964 /nfs/dbraw/zinc/89/89/64/756898964.db2.gz MMLJXSXWZADCGO-GHMZBOCLSA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2nnc[nH]2)C1 ZINC001025561594 756898969 /nfs/dbraw/zinc/89/89/69/756898969.db2.gz MMLJXSXWZADCGO-GHMZBOCLSA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ncn[nH]2)C1 ZINC001025561594 756898971 /nfs/dbraw/zinc/89/89/71/756898971.db2.gz MMLJXSXWZADCGO-GHMZBOCLSA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ncn[nH]2)C1 ZINC001025561594 756898972 /nfs/dbraw/zinc/89/89/72/756898972.db2.gz MMLJXSXWZADCGO-GHMZBOCLSA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccco1)CO2 ZINC001053721499 756966254 /nfs/dbraw/zinc/96/62/54/756966254.db2.gz XHLNQIOYJWYBRG-GFCCVEGCSA-N 1 2 276.336 1.429 20 30 CDEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)co1 ZINC001027336423 756998785 /nfs/dbraw/zinc/99/87/85/756998785.db2.gz QHRIBRKEUOBAEU-BXUZGUMPSA-N 1 2 290.367 1.566 20 30 CDEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)co1 ZINC001027336423 756998796 /nfs/dbraw/zinc/99/87/96/756998796.db2.gz QHRIBRKEUOBAEU-BXUZGUMPSA-N 1 2 290.367 1.566 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)c2cccc(OC)c2)C1 ZINC001031444278 756999366 /nfs/dbraw/zinc/99/93/66/756999366.db2.gz JANYPMSVEXQBHY-ZDUSSCGKSA-N 1 2 286.375 1.622 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCOCC1 ZINC001032685258 757101090 /nfs/dbraw/zinc/10/10/90/757101090.db2.gz UVAQIDRKBXTZAF-KBPBESRZSA-N 1 2 276.380 1.112 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCOCC1 ZINC001032685258 757101093 /nfs/dbraw/zinc/10/10/93/757101093.db2.gz UVAQIDRKBXTZAF-KBPBESRZSA-N 1 2 276.380 1.112 20 30 CDEDLO N#CCc1ccnc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000871728620 757109874 /nfs/dbraw/zinc/10/98/74/757109874.db2.gz XLVYRVYYUQGKNM-GFCCVEGCSA-N 1 2 296.334 1.481 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccnc1 ZINC001050787172 757151947 /nfs/dbraw/zinc/15/19/47/757151947.db2.gz KBYWWFYZFQDZKN-AWEZNQCLSA-N 1 2 275.352 1.088 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccnc1 ZINC001050787172 757151968 /nfs/dbraw/zinc/15/19/68/757151968.db2.gz KBYWWFYZFQDZKN-AWEZNQCLSA-N 1 2 275.352 1.088 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2csc(C)n2)C1 ZINC001035484450 757192063 /nfs/dbraw/zinc/19/20/63/757192063.db2.gz IOZSMSILJLCUKX-LBPRGKRZSA-N 1 2 295.408 1.458 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2csc(C)n2)C1 ZINC001035484450 757192085 /nfs/dbraw/zinc/19/20/85/757192085.db2.gz IOZSMSILJLCUKX-LBPRGKRZSA-N 1 2 295.408 1.458 20 30 CDEDLO C#CCCC[NH2+][C@@H](Cc1ccc(F)cc1)C(=O)OC ZINC000783570213 757214766 /nfs/dbraw/zinc/21/47/66/757214766.db2.gz CTYJULXFJGGBKR-AWEZNQCLSA-N 1 2 263.312 1.913 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccco1)O2 ZINC001053563358 757312579 /nfs/dbraw/zinc/31/25/79/757312579.db2.gz WQQSOCHVESZPBR-CYBMUJFWSA-N 1 2 290.363 1.819 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](F)C1 ZINC001017854838 757316744 /nfs/dbraw/zinc/31/67/44/757316744.db2.gz DOWVKVWRSLEKCG-BARDWOONSA-N 1 2 278.371 1.823 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](F)C1 ZINC001017854838 757316752 /nfs/dbraw/zinc/31/67/52/757316752.db2.gz DOWVKVWRSLEKCG-BARDWOONSA-N 1 2 278.371 1.823 20 30 CDEDLO CC[C@H](F)C[N@@H+]1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038140499 757386316 /nfs/dbraw/zinc/38/63/16/757386316.db2.gz OLUOFQUWMDCIHF-RYUDHWBXSA-N 1 2 278.331 1.439 20 30 CDEDLO CC[C@H](F)C[N@H+]1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038140499 757386330 /nfs/dbraw/zinc/38/63/30/757386330.db2.gz OLUOFQUWMDCIHF-RYUDHWBXSA-N 1 2 278.331 1.439 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccc3oc(C)nc32)C1 ZINC001044348509 757398178 /nfs/dbraw/zinc/39/81/78/757398178.db2.gz YBILJWLKWUHBLA-UHFFFAOYSA-N 1 2 297.358 1.916 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1cccnc1[N+](=O)[O-] ZINC000886167797 757538279 /nfs/dbraw/zinc/53/82/79/757538279.db2.gz APYMENGBBWIXBY-UHFFFAOYSA-N 1 2 251.286 1.624 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1cccnc1[N+](=O)[O-] ZINC000886167797 757538298 /nfs/dbraw/zinc/53/82/98/757538298.db2.gz APYMENGBBWIXBY-UHFFFAOYSA-N 1 2 251.286 1.624 20 30 CDEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)C(F)F)C[C@@H]21 ZINC001074137423 757584827 /nfs/dbraw/zinc/58/48/27/757584827.db2.gz QTOVZLFUFVWHCB-QWRGUYRKSA-N 1 2 274.311 1.129 20 30 CDEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(F)F)C[C@@H]21 ZINC001074137423 757584848 /nfs/dbraw/zinc/58/48/48/757584848.db2.gz QTOVZLFUFVWHCB-QWRGUYRKSA-N 1 2 274.311 1.129 20 30 CDEDLO C[C@@H]1CCN(C(=O)NCCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000336363967 757659579 /nfs/dbraw/zinc/65/95/79/757659579.db2.gz ITEUMKKCJROMAS-NEPJUHHUSA-N 1 2 261.329 1.389 20 30 CDEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C(C)C)C2)CC1 ZINC001051985084 757653859 /nfs/dbraw/zinc/65/38/59/757653859.db2.gz SHCYLHZEVYVNHR-HNNXBMFYSA-N 1 2 279.428 1.437 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1-c1cn[nH]c1 ZINC001038321748 757833742 /nfs/dbraw/zinc/83/37/42/757833742.db2.gz CVLMJOFJISYVLX-CQSZACIVSA-N 1 2 294.358 1.514 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1-c1cn[nH]c1 ZINC001038321748 757833746 /nfs/dbraw/zinc/83/37/46/757833746.db2.gz CVLMJOFJISYVLX-CQSZACIVSA-N 1 2 294.358 1.514 20 30 CDEDLO CC[C@H](F)C[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038140496 757848729 /nfs/dbraw/zinc/84/87/29/757848729.db2.gz OLUOFQUWMDCIHF-NWDGAFQWSA-N 1 2 278.331 1.439 20 30 CDEDLO CC[C@H](F)C[N@H+]1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038140496 757848732 /nfs/dbraw/zinc/84/87/32/757848732.db2.gz OLUOFQUWMDCIHF-NWDGAFQWSA-N 1 2 278.331 1.439 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2n[nH]cc2F)CC1 ZINC001003576387 757855570 /nfs/dbraw/zinc/85/55/70/757855570.db2.gz VYTHYZKVHCRROR-UHFFFAOYSA-N 1 2 286.738 1.496 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CCCC1 ZINC001050796375 757864136 /nfs/dbraw/zinc/86/41/36/757864136.db2.gz ZFAYMRCUMYXJRN-AWEZNQCLSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C1CCCC1 ZINC001050796375 757864137 /nfs/dbraw/zinc/86/41/37/757864137.db2.gz ZFAYMRCUMYXJRN-AWEZNQCLSA-N 1 2 266.385 1.570 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H](C)C1 ZINC001018112083 757895482 /nfs/dbraw/zinc/89/54/82/757895482.db2.gz MWWHDNAGNWATFW-FPCVCCKLSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H](C)C1 ZINC001018112083 757895484 /nfs/dbraw/zinc/89/54/84/757895484.db2.gz MWWHDNAGNWATFW-FPCVCCKLSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2c1O[C@@H](C)C2 ZINC001038542684 757996605 /nfs/dbraw/zinc/99/66/05/757996605.db2.gz NNYBQUYEWFQQCQ-ZFWWWQNUSA-N 1 2 298.386 1.837 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2c1O[C@@H](C)C2 ZINC001038542684 757996626 /nfs/dbraw/zinc/99/66/26/757996626.db2.gz NNYBQUYEWFQQCQ-ZFWWWQNUSA-N 1 2 298.386 1.837 20 30 CDEDLO Cc1nc(C#N)cc(NCCCCn2cc[nH+]c2)n1 ZINC000308218838 758018184 /nfs/dbraw/zinc/01/81/84/758018184.db2.gz BIIGXGPNAKBLGK-UHFFFAOYSA-N 1 2 256.313 1.746 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)OCCCn1cc[nH+]c1 ZINC000838001830 758077780 /nfs/dbraw/zinc/07/77/80/758077780.db2.gz LILHMJZZXVVFIP-NEPJUHHUSA-N 1 2 250.298 1.408 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NC2C[NH+](Cc3ccccc3)C2)c1 ZINC001030196591 758143204 /nfs/dbraw/zinc/14/32/04/758143204.db2.gz NMUXTYCGKIODBD-UHFFFAOYSA-N 1 2 280.331 1.501 20 30 CDEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCOCC23CC3)cc1 ZINC000801981567 758258318 /nfs/dbraw/zinc/25/83/18/758258318.db2.gz QNXVWBCBXJSSMS-AWEZNQCLSA-N 1 2 258.321 1.456 20 30 CDEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCOCC23CC3)cc1 ZINC000801981567 758258341 /nfs/dbraw/zinc/25/83/41/758258341.db2.gz QNXVWBCBXJSSMS-AWEZNQCLSA-N 1 2 258.321 1.456 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cscn1)O2 ZINC001053582821 758274164 /nfs/dbraw/zinc/27/41/64/758274164.db2.gz MZIIRYMAKJTFQU-LLVKDONJSA-N 1 2 293.392 1.292 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccncn2)CC[C@H]1C ZINC001071900815 758344004 /nfs/dbraw/zinc/34/40/04/758344004.db2.gz LQCLPEGVXBVJGE-NEPJUHHUSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccncn2)CC[C@H]1C ZINC001071900815 758344018 /nfs/dbraw/zinc/34/40/18/758344018.db2.gz LQCLPEGVXBVJGE-NEPJUHHUSA-N 1 2 294.786 1.812 20 30 CDEDLO O=C(C#CC1CC1)N1CCC[N@@H+](C/C=C/Cl)CC1 ZINC000981127599 758360519 /nfs/dbraw/zinc/36/05/19/758360519.db2.gz DDUKVHKGWKOCCU-LREOWRDNSA-N 1 2 266.772 1.687 20 30 CDEDLO O=C(C#CC1CC1)N1CCC[N@H+](C/C=C/Cl)CC1 ZINC000981127599 758360537 /nfs/dbraw/zinc/36/05/37/758360537.db2.gz DDUKVHKGWKOCCU-LREOWRDNSA-N 1 2 266.772 1.687 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CF)CCC1 ZINC001017968711 758515549 /nfs/dbraw/zinc/51/55/49/758515549.db2.gz VAIGKWLTZXJYTF-OKILXGFUSA-N 1 2 278.371 1.825 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CF)CCC1 ZINC001017968711 758515558 /nfs/dbraw/zinc/51/55/58/758515558.db2.gz VAIGKWLTZXJYTF-OKILXGFUSA-N 1 2 278.371 1.825 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(F)s1 ZINC001039071547 758537373 /nfs/dbraw/zinc/53/73/73/758537373.db2.gz KTFPRULJVFORBS-VIFPVBQESA-N 1 2 254.330 1.877 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(F)s1 ZINC001039071547 758537387 /nfs/dbraw/zinc/53/73/87/758537387.db2.gz KTFPRULJVFORBS-VIFPVBQESA-N 1 2 254.330 1.877 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c2cccnc12 ZINC001032731637 758551538 /nfs/dbraw/zinc/55/15/38/758551538.db2.gz KBUZLQJAXUIKSJ-RYUDHWBXSA-N 1 2 280.331 1.095 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c2cccnc12 ZINC001032731637 758551547 /nfs/dbraw/zinc/55/15/47/758551547.db2.gz KBUZLQJAXUIKSJ-RYUDHWBXSA-N 1 2 280.331 1.095 20 30 CDEDLO C#C[C@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)[C@@H]1CCCO1 ZINC000775798651 758560996 /nfs/dbraw/zinc/56/09/96/758560996.db2.gz HYSIKRGRMSDXFS-HRCADAONSA-N 1 2 286.375 1.586 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[C@H]3C[C@H]3C1)CO2 ZINC001053901686 758633315 /nfs/dbraw/zinc/63/33/15/758633315.db2.gz MJIANXIBHKLCRG-CBBWQLFWSA-N 1 2 288.391 1.015 20 30 CDEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1sccc1C#N ZINC000852752068 758645416 /nfs/dbraw/zinc/64/54/16/758645416.db2.gz OFLYGAKEOJBZFA-UHFFFAOYSA-N 1 2 291.376 1.530 20 30 CDEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1sccc1C#N ZINC000852752068 758645428 /nfs/dbraw/zinc/64/54/28/758645428.db2.gz OFLYGAKEOJBZFA-UHFFFAOYSA-N 1 2 291.376 1.530 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c[nH]c(CC(C)C)n2)C1 ZINC001042720459 758671910 /nfs/dbraw/zinc/67/19/10/758671910.db2.gz GUQQYXXWUZCUJE-UHFFFAOYSA-N 1 2 288.395 1.388 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(Cl)cc2F)C1 ZINC001030634305 758741944 /nfs/dbraw/zinc/74/19/44/758741944.db2.gz JSOHXRMMCALIJB-UHFFFAOYSA-N 1 2 280.730 1.916 20 30 CDEDLO CC(C)(CO)CNN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000799115411 758756425 /nfs/dbraw/zinc/75/64/25/758756425.db2.gz DMGDYIKMTPTNPG-UHFFFAOYSA-N 1 2 272.352 1.814 20 30 CDEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCCCCC(C)(C)C#N)C1 ZINC000805477894 758829664 /nfs/dbraw/zinc/82/96/64/758829664.db2.gz AYRKHURTJKNYCF-CYBMUJFWSA-N 1 2 282.384 1.970 20 30 CDEDLO CC[N@H+]1CCO[C@@H](C(=O)OCCCCC(C)(C)C#N)C1 ZINC000805477894 758829665 /nfs/dbraw/zinc/82/96/65/758829665.db2.gz AYRKHURTJKNYCF-CYBMUJFWSA-N 1 2 282.384 1.970 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ncn(C)n2)[C@H]1C ZINC000993298788 758844552 /nfs/dbraw/zinc/84/45/52/758844552.db2.gz MGMOGICJUUTXDB-GHMZBOCLSA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ncn(C)n2)[C@H]1C ZINC000993298788 758844553 /nfs/dbraw/zinc/84/45/53/758844553.db2.gz MGMOGICJUUTXDB-GHMZBOCLSA-N 1 2 297.790 1.150 20 30 CDEDLO N#Cc1cc(F)cc(NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC001635654209 1166608923 /nfs/dbraw/zinc/60/89/23/1166608923.db2.gz QAWBZCNOZLJKSE-UHFFFAOYSA-N 1 2 258.256 1.992 20 30 CDEDLO C=CCOC1CCC([NH+]2CC(S(C)(=O)=O)C2)CC1 ZINC001173328005 912428444 /nfs/dbraw/zinc/42/84/44/912428444.db2.gz XITRXVNAYHCOST-UHFFFAOYSA-N 1 2 273.398 1.229 20 30 CDEDLO COc1ccnc(C(=N)Nc2c[nH+]cc3cc[nH]c32)n1 ZINC001168424762 912519438 /nfs/dbraw/zinc/51/94/38/912519438.db2.gz OBDAHXKDZRVCRT-UHFFFAOYSA-N 1 2 268.280 1.399 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1C1Cc2cc(F)c(F)cc2C1 ZINC001173481753 912559320 /nfs/dbraw/zinc/55/93/20/912559320.db2.gz WDGFLPMFAQPLTM-LBPRGKRZSA-N 1 2 263.291 1.229 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(F)s2)[C@H]1C ZINC001089072285 912580780 /nfs/dbraw/zinc/58/07/80/912580780.db2.gz ULSFKURYDPSXBM-ZJUUUORDSA-N 1 2 266.341 1.713 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(F)s2)[C@H]1C ZINC001089072285 912580788 /nfs/dbraw/zinc/58/07/88/912580788.db2.gz ULSFKURYDPSXBM-ZJUUUORDSA-N 1 2 266.341 1.713 20 30 CDEDLO C#Cc1cc(NC2=CCC3(CC2)OCCO3)cc[nH+]1 ZINC001174635992 913258095 /nfs/dbraw/zinc/25/80/95/913258095.db2.gz VATQROREGVWSRJ-UHFFFAOYSA-N 1 2 256.305 1.708 20 30 CDEDLO C#Cc1cc(Nc2ccc(OC)nc2OC)cc[nH+]1 ZINC001175582345 913659292 /nfs/dbraw/zinc/65/92/92/913659292.db2.gz NSRGYZVKECBWMB-UHFFFAOYSA-N 1 2 255.277 1.641 20 30 CDEDLO Cc1nc(NCC[C@H](C)NC(=O)C#CC(C)C)cc[nH+]1 ZINC001106299001 913825643 /nfs/dbraw/zinc/82/56/43/913825643.db2.gz FYRHOSPMBOGSPK-LBPRGKRZSA-N 1 2 274.368 1.751 20 30 CDEDLO C#CCCCC(=O)N[C@@H](C)CCNc1cc[nH+]c(C)n1 ZINC001106307674 913842850 /nfs/dbraw/zinc/84/28/50/913842850.db2.gz HSMSOGQOFAUTRA-LBPRGKRZSA-N 1 2 274.368 1.895 20 30 CDEDLO Cc1nc(N(C)CCN(C(=O)[C@@H](C)C#N)C(C)C)cc[nH+]1 ZINC001125435527 895477251 /nfs/dbraw/zinc/47/72/51/895477251.db2.gz GPEZGTRBLDYZPG-LBPRGKRZSA-N 1 2 289.383 1.618 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C3CCCC3)[C@H]2C1 ZINC001083245133 896839543 /nfs/dbraw/zinc/83/95/43/896839543.db2.gz ZXCFDRXUEWXLQP-VNQPRFMTSA-N 1 2 290.407 1.358 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C3CCCC3)[C@H]2C1 ZINC001083245133 896839561 /nfs/dbraw/zinc/83/95/61/896839561.db2.gz ZXCFDRXUEWXLQP-VNQPRFMTSA-N 1 2 290.407 1.358 20 30 CDEDLO N#Cc1c(Cl)nc(Cl)nc1NCc1cc[nH+]c(N)c1 ZINC001167615540 897048624 /nfs/dbraw/zinc/04/86/24/897048624.db2.gz SZAXKSOTFGBZHO-UHFFFAOYSA-N 1 2 295.133 1.666 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(C)c3C)[C@H]2C1 ZINC001083263310 897760910 /nfs/dbraw/zinc/76/09/10/897760910.db2.gz QGWMUAQHYCOMDM-DLBZAZTESA-N 1 2 298.386 1.462 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(C)c3C)[C@H]2C1 ZINC001083263310 897760921 /nfs/dbraw/zinc/76/09/21/897760921.db2.gz QGWMUAQHYCOMDM-DLBZAZTESA-N 1 2 298.386 1.462 20 30 CDEDLO Cc1nc(N2CCC[C@@H](NC(=O)[C@@H](C)C#N)CC2)cc[nH+]1 ZINC001111980157 898620461 /nfs/dbraw/zinc/62/04/61/898620461.db2.gz SQGHZPBKZBYTJK-WCQYABFASA-N 1 2 287.367 1.420 20 30 CDEDLO C=CCOCC(=O)N1CC[C@H]2OCC[N@@H+](CC(=C)C)[C@H]2C1 ZINC001176949757 914396510 /nfs/dbraw/zinc/39/65/10/914396510.db2.gz SGRYSYXRAGOWPE-LSDHHAIUSA-N 1 2 294.395 1.067 20 30 CDEDLO C=CCOCC(=O)N1CC[C@H]2OCC[N@H+](CC(=C)C)[C@H]2C1 ZINC001176949757 914396523 /nfs/dbraw/zinc/39/65/23/914396523.db2.gz SGRYSYXRAGOWPE-LSDHHAIUSA-N 1 2 294.395 1.067 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C(/C)CC)C[C@H]21 ZINC001177002324 914428076 /nfs/dbraw/zinc/42/80/76/914428076.db2.gz ZPJZBWNDLSFJCL-CZZMSJKLSA-N 1 2 290.407 1.668 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C(/C)CC)C[C@H]21 ZINC001177002324 914428080 /nfs/dbraw/zinc/42/80/80/914428080.db2.gz ZPJZBWNDLSFJCL-CZZMSJKLSA-N 1 2 290.407 1.668 20 30 CDEDLO Cc1nc(C[NH2+]CCNC(=O)c2c[nH]c(C#N)c2)oc1C ZINC001125982368 900336160 /nfs/dbraw/zinc/33/61/60/900336160.db2.gz ZAPWYQTWHKZHEK-UHFFFAOYSA-N 1 2 287.323 1.011 20 30 CDEDLO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C#CC(C)(C)C)C[C@@H]21 ZINC001177013229 914435496 /nfs/dbraw/zinc/43/54/96/914435496.db2.gz PWVYRLFLUQTKKU-UONOGXRCSA-N 1 2 278.396 1.358 20 30 CDEDLO CC[N@H+]1CCO[C@@H]2CCN(C(=O)C#CC(C)(C)C)C[C@@H]21 ZINC001177013229 914435498 /nfs/dbraw/zinc/43/54/98/914435498.db2.gz PWVYRLFLUQTKKU-UONOGXRCSA-N 1 2 278.396 1.358 20 30 CDEDLO C=CCCOCC(=O)NCCC[NH2+][C@@H](C)c1noc(C)n1 ZINC001177269081 914579300 /nfs/dbraw/zinc/57/93/00/914579300.db2.gz DMCPSIDKDANLET-NSHDSACASA-N 1 2 296.371 1.128 20 30 CDEDLO CN(CC(=O)Nc1cccc(C#N)n1)c1cccc[nH+]1 ZINC001177409142 914668049 /nfs/dbraw/zinc/66/80/49/914668049.db2.gz SAOYVFVBMXMLKG-UHFFFAOYSA-N 1 2 267.292 1.423 20 30 CDEDLO C=CCS(=O)(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000711108376 903721328 /nfs/dbraw/zinc/72/13/28/903721328.db2.gz WHWZRTMTVZBUDB-UHFFFAOYSA-N 1 2 263.322 1.800 20 30 CDEDLO C=C1CC(C(=O)N2CC3(CC[N@@H+]3CCn3ccnc3)C2)C1 ZINC001270592110 904769588 /nfs/dbraw/zinc/76/95/88/904769588.db2.gz RGKJWZRAIDANBL-UHFFFAOYSA-N 1 2 286.379 1.136 20 30 CDEDLO C=C1CC(C(=O)N2CC3(CC[N@H+]3CCn3ccnc3)C2)C1 ZINC001270592110 904769598 /nfs/dbraw/zinc/76/95/98/904769598.db2.gz RGKJWZRAIDANBL-UHFFFAOYSA-N 1 2 286.379 1.136 20 30 CDEDLO C=C1CC(C(=O)N2CC3(CCN3CCn3cc[nH+]c3)C2)C1 ZINC001270592110 904769613 /nfs/dbraw/zinc/76/96/13/904769613.db2.gz RGKJWZRAIDANBL-UHFFFAOYSA-N 1 2 286.379 1.136 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142520703 908848184 /nfs/dbraw/zinc/84/81/84/908848184.db2.gz NZEWJKLMSNUGPL-UHFFFAOYSA-N 1 2 281.306 1.702 20 30 CDEDLO N#CCOC1CC[NH+](CC(=O)c2cccs2)CC1 ZINC001224383003 909437632 /nfs/dbraw/zinc/43/76/32/909437632.db2.gz UNOODOIFIPXQCZ-UHFFFAOYSA-N 1 2 264.350 1.935 20 30 CDEDLO N#Cc1ccnc(N[C@@H]2CCC[N@@H+](C3COC3)C2)c1 ZINC001168367442 910052843 /nfs/dbraw/zinc/05/28/43/910052843.db2.gz NNKBAKLAZCPAFL-GFCCVEGCSA-N 1 2 258.325 1.228 20 30 CDEDLO N#Cc1ccnc(N[C@@H]2CCC[N@H+](C3COC3)C2)c1 ZINC001168367442 910052861 /nfs/dbraw/zinc/05/28/61/910052861.db2.gz NNKBAKLAZCPAFL-GFCCVEGCSA-N 1 2 258.325 1.228 20 30 CDEDLO N#Cc1ccc(NCCCNC(=O)CCn2cc[nH+]c2)cn1 ZINC001094689833 910739296 /nfs/dbraw/zinc/73/92/96/910739296.db2.gz SBWKTWIAENXIGQ-UHFFFAOYSA-N 1 2 298.350 1.158 20 30 CDEDLO CC#Cc1cncc(N[C@@H]2CCC[N@@H+](C3COC3)C2)c1 ZINC001168372672 910864435 /nfs/dbraw/zinc/86/44/35/910864435.db2.gz MNXHKUJJLRWMHU-CQSZACIVSA-N 1 2 271.364 1.728 20 30 CDEDLO CC#Cc1cncc(N[C@@H]2CCC[N@H+](C3COC3)C2)c1 ZINC001168372672 910864442 /nfs/dbraw/zinc/86/44/42/910864442.db2.gz MNXHKUJJLRWMHU-CQSZACIVSA-N 1 2 271.364 1.728 20 30 CDEDLO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1ncc(C(C)C)o1 ZINC001127051781 911201914 /nfs/dbraw/zinc/20/19/14/911201914.db2.gz MVCKIKMHJKBAIG-GFCCVEGCSA-N 1 2 293.367 1.042 20 30 CDEDLO CC[C@@H](C)OCC[C@@H](C)[NH2+][C@@H](CS)C(=O)OC ZINC001172318905 911558718 /nfs/dbraw/zinc/55/87/18/911558718.db2.gz MLTNHLNGYSZHCM-MXWKQRLJSA-N 1 2 263.403 1.641 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2cc(C)on2)C1 ZINC001189910369 921714444 /nfs/dbraw/zinc/71/44/44/921714444.db2.gz NQWZTMUSVULYJM-HNNXBMFYSA-N 1 2 289.379 1.819 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C)on2)C1 ZINC001189910369 921714451 /nfs/dbraw/zinc/71/44/51/921714451.db2.gz NQWZTMUSVULYJM-HNNXBMFYSA-N 1 2 289.379 1.819 20 30 CDEDLO N#C[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178105424 915176473 /nfs/dbraw/zinc/17/64/73/915176473.db2.gz UUXFIYAZGONTNQ-VXGBXAGGSA-N 1 2 258.325 1.350 20 30 CDEDLO CCN(C(=O)C#Cc1ccc(F)cc1F)C1C[NH+](C)C1 ZINC001178568955 915523082 /nfs/dbraw/zinc/52/30/82/915523082.db2.gz NZXOQNFXMRORTJ-UHFFFAOYSA-N 1 2 278.302 1.479 20 30 CDEDLO CC#CC(=O)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001179752377 915971968 /nfs/dbraw/zinc/97/19/68/915971968.db2.gz ULKRTFJBPCWKDU-UHFFFAOYSA-N 1 2 299.374 1.303 20 30 CDEDLO C=CCCC(=O)NCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001124636295 936325592 /nfs/dbraw/zinc/32/55/92/936325592.db2.gz LRQQODVIRDUWBD-LLVKDONJSA-N 1 2 251.330 1.716 20 30 CDEDLO C=CCCC(=O)NCC[NH2+][C@@H](C)c1nc(C2CC2)no1 ZINC001124655367 936329326 /nfs/dbraw/zinc/32/93/26/936329326.db2.gz BPCCYSXPKCDQKV-JTQLQIEISA-N 1 2 278.356 1.680 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2CCCCO2)CC1 ZINC001180419431 916362028 /nfs/dbraw/zinc/36/20/28/916362028.db2.gz BMNWBSNLAMIDQN-CYBMUJFWSA-N 1 2 252.358 1.276 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2CCCCO2)CC1 ZINC001180419432 916362261 /nfs/dbraw/zinc/36/22/61/916362261.db2.gz BMNWBSNLAMIDQN-ZDUSSCGKSA-N 1 2 252.358 1.276 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001097722491 936355422 /nfs/dbraw/zinc/35/54/22/936355422.db2.gz DBLONZPRENAQKH-VXGBXAGGSA-N 1 2 292.383 1.683 20 30 CDEDLO Cc1cc(C#N)c(F)cc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001180762602 916627781 /nfs/dbraw/zinc/62/77/81/916627781.db2.gz SNZDAROZKCFGQE-ZDUSSCGKSA-N 1 2 277.299 1.275 20 30 CDEDLO Cc1cc(C#N)c(F)cc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001180762602 916627788 /nfs/dbraw/zinc/62/77/88/916627788.db2.gz SNZDAROZKCFGQE-ZDUSSCGKSA-N 1 2 277.299 1.275 20 30 CDEDLO Cc1cc(N[C@H](C)CNC(=O)C#CC2CC2)nc(C2CC2)[nH+]1 ZINC001097804583 936385135 /nfs/dbraw/zinc/38/51/35/936385135.db2.gz YVVJBSBSNPVSEY-GFCCVEGCSA-N 1 2 298.390 1.992 20 30 CDEDLO COc1ccc(C[N@H+](C)CCN2CCOCC2)c(C#N)c1 ZINC001137698170 936391294 /nfs/dbraw/zinc/39/12/94/936391294.db2.gz MIPFEKAINBPQAG-UHFFFAOYSA-N 1 2 289.379 1.331 20 30 CDEDLO COc1ccc(C[N@@H+](C)CCN2CCOCC2)c(C#N)c1 ZINC001137698170 936391298 /nfs/dbraw/zinc/39/12/98/936391298.db2.gz MIPFEKAINBPQAG-UHFFFAOYSA-N 1 2 289.379 1.331 20 30 CDEDLO COc1ccc(CN(C)CC[NH+]2CCOCC2)c(C#N)c1 ZINC001137698170 936391301 /nfs/dbraw/zinc/39/13/01/936391301.db2.gz MIPFEKAINBPQAG-UHFFFAOYSA-N 1 2 289.379 1.331 20 30 CDEDLO COc1ccc(CN2CCn3c[nH+]cc3C2)c(C#N)c1 ZINC001137704506 936392619 /nfs/dbraw/zinc/39/26/19/936392619.db2.gz IYZSQCNFZBFJSB-UHFFFAOYSA-N 1 2 268.320 1.779 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001124488485 917397943 /nfs/dbraw/zinc/39/79/43/917397943.db2.gz PCMVETSMOVWIQY-QWHCGFSZSA-N 1 2 295.383 1.731 20 30 CDEDLO C=CC(C)(C)C(=O)N(CCO)CCNc1cc[nH+]c(C)n1 ZINC001111537630 917441747 /nfs/dbraw/zinc/44/17/47/917441747.db2.gz GFYKUSVXNMYVTK-UHFFFAOYSA-N 1 2 292.383 1.230 20 30 CDEDLO CC(C)(C)OC(=O)[C@H]([NH3+])C1CN([C@@H]2CC[C@H](C#N)C2)C1 ZINC001254653811 936435861 /nfs/dbraw/zinc/43/58/61/936435861.db2.gz QEHBWAWXBHKXMS-CYZMBNFOSA-N 1 2 279.384 1.279 20 30 CDEDLO CCCCCCCCS(=O)(=O)N[C@@H]1C[NH2+]CCC1=O ZINC001238627075 918193679 /nfs/dbraw/zinc/19/36/79/918193679.db2.gz JXGDPTLMOZMYGH-GFCCVEGCSA-N 1 2 290.429 1.197 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001115679960 918364435 /nfs/dbraw/zinc/36/44/35/918364435.db2.gz CSLYVHOYGFMLEU-IAQYHMDHSA-N 1 2 292.383 1.371 20 30 CDEDLO Cc1cc(NC[C@@H](C)NC(=O)[C@@H](C)C#N)nc(C2CC2)[nH+]1 ZINC001107652511 918547137 /nfs/dbraw/zinc/54/71/37/918547137.db2.gz ATDMXQRUZFSSMM-GXSJLCMTSA-N 1 2 287.367 1.739 20 30 CDEDLO Cc1nc(NC[C@@H](C)NC(=O)C#CC(C)C)cc[nH+]1 ZINC001107706105 918646522 /nfs/dbraw/zinc/64/65/22/918646522.db2.gz ZJSLJSMKGPFFGK-LLVKDONJSA-N 1 2 260.341 1.361 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001107726975 918695295 /nfs/dbraw/zinc/69/52/95/918695295.db2.gz SJSMHNALSAOWQO-WBVHZDCISA-N 1 2 290.407 1.573 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001107726975 918695307 /nfs/dbraw/zinc/69/53/07/918695307.db2.gz SJSMHNALSAOWQO-WBVHZDCISA-N 1 2 290.407 1.573 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2C[C@H](F)[C@@H](OC)C2)cc1 ZINC001138556333 936546148 /nfs/dbraw/zinc/54/61/48/936546148.db2.gz PUDYBLGRSBALPZ-GJZGRUSLSA-N 1 2 263.312 1.867 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2C[C@H](F)[C@@H](OC)C2)cc1 ZINC001138556333 936546150 /nfs/dbraw/zinc/54/61/50/936546150.db2.gz PUDYBLGRSBALPZ-GJZGRUSLSA-N 1 2 263.312 1.867 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)COC(C)(C)C)C1 ZINC001107880791 918974734 /nfs/dbraw/zinc/97/47/34/918974734.db2.gz SMKICRHYXOZMCM-INIZCTEOSA-N 1 2 296.411 1.032 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)COC(C)(C)C)C1 ZINC001107880791 918974745 /nfs/dbraw/zinc/97/47/45/918974745.db2.gz SMKICRHYXOZMCM-INIZCTEOSA-N 1 2 296.411 1.032 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCOC[C@H]2COC)cc1 ZINC001138560300 936546607 /nfs/dbraw/zinc/54/66/07/936546607.db2.gz QBKIHWQJLKZGSZ-OAHLLOKOSA-N 1 2 275.348 1.546 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCOC[C@H]2COC)cc1 ZINC001138560300 936546608 /nfs/dbraw/zinc/54/66/08/936546608.db2.gz QBKIHWQJLKZGSZ-OAHLLOKOSA-N 1 2 275.348 1.546 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2coc(C)c2)C1 ZINC001107894882 919011631 /nfs/dbraw/zinc/01/16/31/919011631.db2.gz BMXSFKFHKDDUGO-OAHLLOKOSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2coc(C)c2)C1 ZINC001107894882 919011639 /nfs/dbraw/zinc/01/16/39/919011639.db2.gz BMXSFKFHKDDUGO-OAHLLOKOSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CCN1CC[NH+](Cc2c(C)nn(CC)c2C)CC1 ZINC001138644101 936554478 /nfs/dbraw/zinc/55/44/78/936554478.db2.gz IYWDJLUDQSJBJX-UHFFFAOYSA-N 1 2 262.401 1.823 20 30 CDEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2ccncc2F)C1=O ZINC001272767081 919200306 /nfs/dbraw/zinc/20/03/06/919200306.db2.gz XESSJCLQSIYMCU-INIZCTEOSA-N 1 2 287.338 1.421 20 30 CDEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccncc2F)C1=O ZINC001272767081 919200326 /nfs/dbraw/zinc/20/03/26/919200326.db2.gz XESSJCLQSIYMCU-INIZCTEOSA-N 1 2 287.338 1.421 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001108005175 919930638 /nfs/dbraw/zinc/93/06/38/919930638.db2.gz MLVWHBMWDFPTLT-YCPHGPKFSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001108005175 919930652 /nfs/dbraw/zinc/93/06/52/919930652.db2.gz MLVWHBMWDFPTLT-YCPHGPKFSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001078123454 920131686 /nfs/dbraw/zinc/13/16/86/920131686.db2.gz TUFMXGQMCPUEOX-RKDXNWHRSA-N 1 2 286.784 1.362 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001078123454 920131693 /nfs/dbraw/zinc/13/16/93/920131693.db2.gz TUFMXGQMCPUEOX-RKDXNWHRSA-N 1 2 286.784 1.362 20 30 CDEDLO Cc1nc(C[N@@H+](C)[C@H]2CCN(C(=O)C#CC(C)C)C2)co1 ZINC001190053518 921815409 /nfs/dbraw/zinc/81/54/09/921815409.db2.gz JRULXZMVLKVIPD-HNNXBMFYSA-N 1 2 289.379 1.675 20 30 CDEDLO Cc1nc(C[N@H+](C)[C@H]2CCN(C(=O)C#CC(C)C)C2)co1 ZINC001190053518 921815422 /nfs/dbraw/zinc/81/54/22/921815422.db2.gz JRULXZMVLKVIPD-HNNXBMFYSA-N 1 2 289.379 1.675 20 30 CDEDLO CC(C)[NH+]1CC(NC(=O)c2cccc(C#N)c2F)C1 ZINC001190555280 922065493 /nfs/dbraw/zinc/06/54/93/922065493.db2.gz TWNKQKTZIAQJOP-UHFFFAOYSA-N 1 2 261.300 1.520 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cnco2)C1 ZINC001140934941 936779278 /nfs/dbraw/zinc/77/92/78/936779278.db2.gz GONUFNBGWMTCCM-LLVKDONJSA-N 1 2 265.313 1.551 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cnco2)C1 ZINC001140934941 936779280 /nfs/dbraw/zinc/77/92/80/936779280.db2.gz GONUFNBGWMTCCM-LLVKDONJSA-N 1 2 265.313 1.551 20 30 CDEDLO N#Cc1c(-c2ccccc2)ccnc1-n1[nH]c(=O)nc1C[NH3+] ZINC001168756514 922753904 /nfs/dbraw/zinc/75/39/04/922753904.db2.gz OLLGMRRVKPTKJI-UHFFFAOYSA-N 1 2 292.302 1.365 20 30 CDEDLO C#CCO[C@H](C)C(=O)NCC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001099515850 936790398 /nfs/dbraw/zinc/79/03/98/936790398.db2.gz KUURUNYXOCDBMV-VXGBXAGGSA-N 1 2 290.367 1.130 20 30 CDEDLO C#CC[NH2+]Cc1cn(-c2cccc(CNC(=O)CC)c2)nn1 ZINC001099600245 936792133 /nfs/dbraw/zinc/79/21/33/936792133.db2.gz BHAHQLGAKXKKOC-UHFFFAOYSA-N 1 2 297.362 1.016 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(O)c(O)c(OC)c2)CC1 ZINC001193096057 923472190 /nfs/dbraw/zinc/47/21/90/923472190.db2.gz FTDHGZKTJJJHAX-UHFFFAOYSA-N 1 2 292.335 1.050 20 30 CDEDLO C[C@H](C#N)S(=O)(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC001193139316 923483920 /nfs/dbraw/zinc/48/39/20/923483920.db2.gz CAEYOCSERARCIG-SNVBAGLBSA-N 1 2 276.321 1.526 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C2CCCC2)CC1 ZINC001194612101 924282950 /nfs/dbraw/zinc/28/29/50/924282950.db2.gz AVSFSSPTHHJHLE-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)C2CCCC2)CC1 ZINC001194612101 924282958 /nfs/dbraw/zinc/28/29/58/924282958.db2.gz AVSFSSPTHHJHLE-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001079392332 924286754 /nfs/dbraw/zinc/28/67/54/924286754.db2.gz XRGCPSDLZFYRGR-YUSALJHKSA-N 1 2 272.776 1.354 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001079392332 924286765 /nfs/dbraw/zinc/28/67/65/924286765.db2.gz XRGCPSDLZFYRGR-YUSALJHKSA-N 1 2 272.776 1.354 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001079542224 924356045 /nfs/dbraw/zinc/35/60/45/924356045.db2.gz OLBMHXLJMHHGRC-NOZJJQNGSA-N 1 2 292.770 1.689 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001079542224 924356050 /nfs/dbraw/zinc/35/60/50/924356050.db2.gz OLBMHXLJMHHGRC-NOZJJQNGSA-N 1 2 292.770 1.689 20 30 CDEDLO C=CCCC(=O)N1CCC[N@@H+](CC(=O)N[C@@H](C)CC)CC1 ZINC001195192266 924491044 /nfs/dbraw/zinc/49/10/44/924491044.db2.gz VQJMJDZUNVECPC-AWEZNQCLSA-N 1 2 295.427 1.402 20 30 CDEDLO C=CCCC(=O)N1CCC[N@H+](CC(=O)N[C@@H](C)CC)CC1 ZINC001195192266 924491046 /nfs/dbraw/zinc/49/10/46/924491046.db2.gz VQJMJDZUNVECPC-AWEZNQCLSA-N 1 2 295.427 1.402 20 30 CDEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2coc(C)c2)CC1 ZINC001195605429 924677119 /nfs/dbraw/zinc/67/71/19/924677119.db2.gz PHIJBPRXQZNDLS-UHFFFAOYSA-N 1 2 290.363 1.386 20 30 CDEDLO COCC#CC[N@H+]1CCCN(C(=O)c2coc(C)c2)CC1 ZINC001195605429 924677122 /nfs/dbraw/zinc/67/71/22/924677122.db2.gz PHIJBPRXQZNDLS-UHFFFAOYSA-N 1 2 290.363 1.386 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C2CCC2)[C@H](OC)C1 ZINC001081986835 924832583 /nfs/dbraw/zinc/83/25/83/924832583.db2.gz YQWURWKXDJFYNY-ZIAGYGMSSA-N 1 2 278.396 1.261 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C2CCC2)[C@H](OC)C1 ZINC001081986835 924832588 /nfs/dbraw/zinc/83/25/88/924832588.db2.gz YQWURWKXDJFYNY-ZIAGYGMSSA-N 1 2 278.396 1.261 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001110546173 925958382 /nfs/dbraw/zinc/95/83/82/925958382.db2.gz OWQPMFFFUSVHRD-DGAVXFQQSA-N 1 2 296.798 1.499 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001110546173 925958390 /nfs/dbraw/zinc/95/83/90/925958390.db2.gz OWQPMFFFUSVHRD-DGAVXFQQSA-N 1 2 296.798 1.499 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(C(F)F)n1 ZINC001085616958 926220396 /nfs/dbraw/zinc/22/03/96/926220396.db2.gz AGOYZLBQVWWZCF-LLVKDONJSA-N 1 2 296.321 1.448 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(C(F)F)n1 ZINC001085616958 926220405 /nfs/dbraw/zinc/22/04/05/926220405.db2.gz AGOYZLBQVWWZCF-LLVKDONJSA-N 1 2 296.321 1.448 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C2CC2)o1 ZINC001085645660 926246950 /nfs/dbraw/zinc/24/69/50/926246950.db2.gz CIGVECLEFKKBSV-LBPRGKRZSA-N 1 2 273.336 1.332 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C2CC2)o1 ZINC001085645660 926246959 /nfs/dbraw/zinc/24/69/59/926246959.db2.gz CIGVECLEFKKBSV-LBPRGKRZSA-N 1 2 273.336 1.332 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(Cl)n[nH]c1CC ZINC001085638456 926249594 /nfs/dbraw/zinc/24/95/94/926249594.db2.gz RPYRLSOLSYRDDX-SNVBAGLBSA-N 1 2 294.786 1.405 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(Cl)n[nH]c1CC ZINC001085638456 926249598 /nfs/dbraw/zinc/24/95/98/926249598.db2.gz RPYRLSOLSYRDDX-SNVBAGLBSA-N 1 2 294.786 1.405 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1-c1ccc(C#N)cc1F ZINC001201555437 926328193 /nfs/dbraw/zinc/32/81/93/926328193.db2.gz CIUMTCNFNSZUGV-UHFFFAOYSA-N 1 2 274.255 1.642 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C2CC2)on1 ZINC001085749044 926348598 /nfs/dbraw/zinc/34/85/98/926348598.db2.gz WXQLBGAWYVXZPK-GFCCVEGCSA-N 1 2 273.336 1.332 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C2CC2)on1 ZINC001085749044 926348606 /nfs/dbraw/zinc/34/86/06/926348606.db2.gz WXQLBGAWYVXZPK-GFCCVEGCSA-N 1 2 273.336 1.332 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cncc(Cl)c1 ZINC001085873919 926468676 /nfs/dbraw/zinc/46/86/76/926468676.db2.gz MSTVUSHGNWIBMN-CQSZACIVSA-N 1 2 291.782 1.905 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cncc(Cl)c1 ZINC001085873919 926468678 /nfs/dbraw/zinc/46/86/78/926468678.db2.gz MSTVUSHGNWIBMN-CQSZACIVSA-N 1 2 291.782 1.905 20 30 CDEDLO COC(=O)CCC[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001202220015 926498614 /nfs/dbraw/zinc/49/86/14/926498614.db2.gz MCWCIYTUJKCBBR-JTQLQIEISA-N 1 2 255.339 1.214 20 30 CDEDLO COC(=O)CCC[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001202220015 926498617 /nfs/dbraw/zinc/49/86/17/926498617.db2.gz MCWCIYTUJKCBBR-JTQLQIEISA-N 1 2 255.339 1.214 20 30 CDEDLO COC(=O)CCC[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001202220015 926498606 /nfs/dbraw/zinc/49/86/06/926498606.db2.gz MCWCIYTUJKCBBR-JTQLQIEISA-N 1 2 255.339 1.214 20 30 CDEDLO COC(=O)CCC[N@H+]1CCC2SC(=O)C=C2C1 ZINC001202220015 926498612 /nfs/dbraw/zinc/49/86/12/926498612.db2.gz MCWCIYTUJKCBBR-JTQLQIEISA-N 1 2 255.339 1.214 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(CC)on1 ZINC001085931576 926517786 /nfs/dbraw/zinc/51/77/86/926517786.db2.gz CDFJKSUGAWWEEN-GFCCVEGCSA-N 1 2 275.352 1.407 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(CC)on1 ZINC001085931576 926517795 /nfs/dbraw/zinc/51/77/95/926517795.db2.gz CDFJKSUGAWWEEN-GFCCVEGCSA-N 1 2 275.352 1.407 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(NC(C)=O)c1 ZINC001085969506 926552287 /nfs/dbraw/zinc/55/22/87/926552287.db2.gz CVVPYNXMWQKPGI-INIZCTEOSA-N 1 2 299.374 1.425 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(NC(C)=O)c1 ZINC001085969506 926552293 /nfs/dbraw/zinc/55/22/93/926552293.db2.gz CVVPYNXMWQKPGI-INIZCTEOSA-N 1 2 299.374 1.425 20 30 CDEDLO C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001110582394 926554197 /nfs/dbraw/zinc/55/41/97/926554197.db2.gz DOCZJZZASWSHSG-ZNSHCXBVSA-N 1 2 292.276 1.632 20 30 CDEDLO C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001110582394 926554202 /nfs/dbraw/zinc/55/42/02/926554202.db2.gz DOCZJZZASWSHSG-ZNSHCXBVSA-N 1 2 292.276 1.632 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)nsc1C ZINC001085991547 926574366 /nfs/dbraw/zinc/57/43/66/926574366.db2.gz QJMPUSXGPRPFAN-ZDUSSCGKSA-N 1 2 291.420 1.930 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)nsc1C ZINC001085991547 926574372 /nfs/dbraw/zinc/57/43/72/926574372.db2.gz QJMPUSXGPRPFAN-ZDUSSCGKSA-N 1 2 291.420 1.930 20 30 CDEDLO CC[C@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1cc[nH+]c(C)n1 ZINC001103063157 937118308 /nfs/dbraw/zinc/11/83/08/937118308.db2.gz MISNQJYFLTWTOI-LLVKDONJSA-N 1 2 298.350 1.605 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](O)C2)c1F ZINC001143163912 937127417 /nfs/dbraw/zinc/12/74/17/937127417.db2.gz ORIFIVCIEJVHIT-JTQLQIEISA-N 1 2 252.264 1.793 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](O)C2)c1F ZINC001143163912 937127419 /nfs/dbraw/zinc/12/74/19/937127419.db2.gz ORIFIVCIEJVHIT-JTQLQIEISA-N 1 2 252.264 1.793 20 30 CDEDLO Cc1cc(NC[C@H](C)NC(=O)[C@@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001108292598 927335176 /nfs/dbraw/zinc/33/51/76/927335176.db2.gz YHXOVYBJYJMVOS-JQWIXIFHSA-N 1 2 289.383 1.985 20 30 CDEDLO C=CCOCC(=O)N1CCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001103797482 937155700 /nfs/dbraw/zinc/15/57/00/937155700.db2.gz SPOQNIAOKMATGS-CYBMUJFWSA-N 1 2 290.367 1.391 20 30 CDEDLO C=CCCC(=O)NC[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001103890522 937170109 /nfs/dbraw/zinc/17/01/09/937170109.db2.gz ZEKGMNBFGJVZCX-LLVKDONJSA-N 1 2 262.357 1.915 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](C)SC ZINC001568474714 1169305644 /nfs/dbraw/zinc/30/56/44/1169305644.db2.gz PPFNHNHZUAKGLF-JTQLQIEISA-N 1 2 264.822 1.881 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](C)SC ZINC001568474714 1169305653 /nfs/dbraw/zinc/30/56/53/1169305653.db2.gz PPFNHNHZUAKGLF-JTQLQIEISA-N 1 2 264.822 1.881 20 30 CDEDLO C[N@@H+]1CCOC[C@@H]1CNc1cc(C#N)cc(C#N)c1 ZINC001169656509 928292972 /nfs/dbraw/zinc/29/29/72/928292972.db2.gz MWWDDYZUJPDBIE-AWEZNQCLSA-N 1 2 256.309 1.172 20 30 CDEDLO C[N@H+]1CCOC[C@@H]1CNc1cc(C#N)cc(C#N)c1 ZINC001169656509 928292983 /nfs/dbraw/zinc/29/29/83/928292983.db2.gz MWWDDYZUJPDBIE-AWEZNQCLSA-N 1 2 256.309 1.172 20 30 CDEDLO C=CC[C@H](Nc1cn2cc[nH+]c2cc1OC)C(=O)OC ZINC001169843756 928463804 /nfs/dbraw/zinc/46/38/04/928463804.db2.gz APLSSVWSMDJXFZ-JTQLQIEISA-N 1 2 275.308 1.873 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc3cc[nH]c3c2)CC1 ZINC001150897269 937256224 /nfs/dbraw/zinc/25/62/24/937256224.db2.gz FILWIZWQWQWLFF-UHFFFAOYSA-N 1 2 270.336 1.507 20 30 CDEDLO CC[N@H+](Cc1ccon1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152420000 937361180 /nfs/dbraw/zinc/36/11/80/937361180.db2.gz LGRLTHCTWWBJCQ-GHMZBOCLSA-N 1 2 264.329 1.161 20 30 CDEDLO CC[N@@H+](Cc1ccon1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152420000 937361182 /nfs/dbraw/zinc/36/11/82/937361182.db2.gz LGRLTHCTWWBJCQ-GHMZBOCLSA-N 1 2 264.329 1.161 20 30 CDEDLO C[C@H](C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1)NCC#N ZINC001134731937 929884386 /nfs/dbraw/zinc/88/43/86/929884386.db2.gz ADGHCLPNGDGEOA-MNOVXSKESA-N 1 2 285.351 1.573 20 30 CDEDLO N#CCc1cc[nH+]c(NCC(=O)NCc2ccco2)c1 ZINC001159337887 930009437 /nfs/dbraw/zinc/00/94/37/930009437.db2.gz UIYGPATWNSYNRC-UHFFFAOYSA-N 1 2 270.292 1.469 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001115650904 937408781 /nfs/dbraw/zinc/40/87/81/937408781.db2.gz JKRWWLLWKLPDFG-LLVKDONJSA-N 1 2 278.356 1.246 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccccc1CC ZINC000884149128 930461288 /nfs/dbraw/zinc/46/12/88/930461288.db2.gz DAJSXBPXXOAOEF-AWEZNQCLSA-N 1 2 290.363 1.312 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc3c2CC(=O)N3)CC1 ZINC001153326920 937439861 /nfs/dbraw/zinc/43/98/61/937439861.db2.gz DLKRHFANKAPIAO-UHFFFAOYSA-N 1 2 285.347 1.125 20 30 CDEDLO N#CCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCC(F)(F)F ZINC001274030994 931130116 /nfs/dbraw/zinc/13/01/16/931130116.db2.gz DLNMIBRKUDFMKV-GHMZBOCLSA-N 1 2 289.301 1.918 20 30 CDEDLO N#CCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCC(F)(F)F ZINC001274030994 931130120 /nfs/dbraw/zinc/13/01/20/931130120.db2.gz DLNMIBRKUDFMKV-GHMZBOCLSA-N 1 2 289.301 1.918 20 30 CDEDLO N#CCC[NH+]1CCC2(C[C@H]2C(=O)NCc2ncccn2)CC1 ZINC001274032641 931135479 /nfs/dbraw/zinc/13/54/79/931135479.db2.gz UGIPGXMQUKCPIA-ZDUSSCGKSA-N 1 2 299.378 1.109 20 30 CDEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1c[nH]cn1)CC2 ZINC001136868913 931436728 /nfs/dbraw/zinc/43/67/28/931436728.db2.gz XPBHRHGCYYLEPE-UHFFFAOYSA-N 1 2 287.367 1.404 20 30 CDEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1c[nH]cn1)CC2 ZINC001136868913 931436735 /nfs/dbraw/zinc/43/67/35/931436735.db2.gz XPBHRHGCYYLEPE-UHFFFAOYSA-N 1 2 287.367 1.404 20 30 CDEDLO CCOC(=O)c1c(C[N@@H+]2CCC[C@@H](C#N)CC2)cnn1C ZINC001136908335 931475448 /nfs/dbraw/zinc/47/54/48/931475448.db2.gz DKPHYIXVMYOCRF-GFCCVEGCSA-N 1 2 290.367 1.722 20 30 CDEDLO CCOC(=O)c1c(C[N@H+]2CCC[C@@H](C#N)CC2)cnn1C ZINC001136908335 931475452 /nfs/dbraw/zinc/47/54/52/931475452.db2.gz DKPHYIXVMYOCRF-GFCCVEGCSA-N 1 2 290.367 1.722 20 30 CDEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1[nH]ccc1C#N ZINC001274856234 931594024 /nfs/dbraw/zinc/59/40/24/931594024.db2.gz XBTHGNONMJXQFF-HUUCEWRRSA-N 1 2 282.347 1.085 20 30 CDEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1[nH]ccc1C#N ZINC001274856234 931594029 /nfs/dbraw/zinc/59/40/29/931594029.db2.gz XBTHGNONMJXQFF-HUUCEWRRSA-N 1 2 282.347 1.085 20 30 CDEDLO C#CCN(CC1CC1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001117651287 937540359 /nfs/dbraw/zinc/54/03/59/937540359.db2.gz BDIOTYCQCBHBGM-UHFFFAOYSA-N 1 2 282.347 1.889 20 30 CDEDLO Cc1nc(N(C)CCCNC(=O)C#CC(C)C)cc[nH+]1 ZINC001095543063 932705723 /nfs/dbraw/zinc/70/57/23/932705723.db2.gz IHKXEDNYDSITBV-UHFFFAOYSA-N 1 2 274.368 1.387 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C(C)(C)F)C1 ZINC001149030386 932824030 /nfs/dbraw/zinc/82/40/30/932824030.db2.gz VAVMTAPRGUJGAC-LLVKDONJSA-N 1 2 292.782 1.694 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C(C)(C)F)C1 ZINC001149030386 932824033 /nfs/dbraw/zinc/82/40/33/932824033.db2.gz VAVMTAPRGUJGAC-LLVKDONJSA-N 1 2 292.782 1.694 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)C)c1nccn12 ZINC001092349440 932935838 /nfs/dbraw/zinc/93/58/38/932935838.db2.gz GNSPQQMHNMGGQR-GFCCVEGCSA-N 1 2 274.368 1.297 20 30 CDEDLO C=C(C)CN(C)C(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001118765473 937664499 /nfs/dbraw/zinc/66/44/99/937664499.db2.gz TUULFUPZDXERGJ-UHFFFAOYSA-N 1 2 290.367 1.081 20 30 CDEDLO C=CCC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)[O-] ZINC001119536827 937729562 /nfs/dbraw/zinc/72/95/62/937729562.db2.gz RWBYNOLFTIOXPN-ZIAGYGMSSA-N 1 2 282.384 1.249 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)C2CCC(O)CC2)C1 ZINC000949974970 934530247 /nfs/dbraw/zinc/53/02/47/934530247.db2.gz VXMUDSRDIHEYAH-UHFFFAOYSA-N 1 2 280.412 1.646 20 30 CDEDLO C=CCOCC(=O)N[C@H](C)CCCNc1cc[nH+]c(C)n1 ZINC001114869043 935223908 /nfs/dbraw/zinc/22/39/08/935223908.db2.gz NSAZKGGHDSYLGF-GFCCVEGCSA-N 1 2 292.383 1.684 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC001038649465 935751472 /nfs/dbraw/zinc/75/14/72/935751472.db2.gz HJCAUFKSAOFLHL-UKRRQHHQSA-N 1 2 254.333 1.150 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC001038649465 935751475 /nfs/dbraw/zinc/75/14/75/935751475.db2.gz HJCAUFKSAOFLHL-UKRRQHHQSA-N 1 2 254.333 1.150 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCOCC2)C1 ZINC001042665217 935826861 /nfs/dbraw/zinc/82/68/61/935826861.db2.gz NPPHBOAOLJAUQJ-CYBMUJFWSA-N 1 2 266.385 1.522 20 30 CDEDLO Cc1nc(N2CCC(N(C)C(=O)C#CC3CC3)CC2)cc[nH+]1 ZINC001096109046 935959581 /nfs/dbraw/zinc/95/95/81/935959581.db2.gz AZFQOVJJUCBFPW-UHFFFAOYSA-N 1 2 298.390 1.626 20 30 CDEDLO C[C@H](C#N)OCC[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000801941734 936016948 /nfs/dbraw/zinc/01/69/48/936016948.db2.gz VLGYKABTDHUHDY-NXEZZACHSA-N 1 2 266.345 1.946 20 30 CDEDLO Cc1nc(N2CCC3(C[C@@H]3NC(=O)[C@@H](C)C#N)CC2)cc[nH+]1 ZINC001096513909 936141139 /nfs/dbraw/zinc/14/11/39/936141139.db2.gz VTNPLHLGEVVNAX-AAEUAGOBSA-N 1 2 299.378 1.420 20 30 CDEDLO Cc1nc(N[C@H]2C[C@@H](NC(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001097180294 936278876 /nfs/dbraw/zinc/27/88/76/936278876.db2.gz IQBXXAQKDXYFTB-BETUJISGSA-N 1 2 272.352 1.504 20 30 CDEDLO CCOc1ccc2ncnc(N3CC[NH2+]C[C@@H]3C#N)c2c1 ZINC001156319678 938351603 /nfs/dbraw/zinc/35/16/03/938351603.db2.gz AFYAPECKFWXLDG-NSHDSACASA-N 1 2 283.335 1.330 20 30 CDEDLO COc1cc2ccnc(N3CC[NH2+]C[C@@H]3C#N)c2cc1OC ZINC001156320168 938351617 /nfs/dbraw/zinc/35/16/17/938351617.db2.gz SSFMKDRTZNZDPK-LBPRGKRZSA-N 1 2 298.346 1.554 20 30 CDEDLO COc1cc(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)ccc1C#N ZINC001238409166 945171036 /nfs/dbraw/zinc/17/10/36/945171036.db2.gz CGMLJHJGBWRAML-GXTWGEPZSA-N 1 2 278.327 1.719 20 30 CDEDLO COc1cc(C[N@H+]2C[C@H](F)C[C@H](CO)C2)ccc1C#N ZINC001238409166 945171041 /nfs/dbraw/zinc/17/10/41/945171041.db2.gz CGMLJHJGBWRAML-GXTWGEPZSA-N 1 2 278.327 1.719 20 30 CDEDLO N#Cc1cc(Cl)nnc1NCC1([NH+]2CCCC2)COC1 ZINC001157649858 938526297 /nfs/dbraw/zinc/52/62/97/938526297.db2.gz GHDTUYRDLIQOAM-UHFFFAOYSA-N 1 2 293.758 1.278 20 30 CDEDLO N#CCc1cc[nH+]c(N2CC[C@@H](Oc3ncc(F)cn3)C2)c1 ZINC001158353461 938613611 /nfs/dbraw/zinc/61/36/11/938613611.db2.gz KLJKQQWDZKQMIH-CYBMUJFWSA-N 1 2 299.309 1.734 20 30 CDEDLO CN1C(=O)CC[C@H]2CN(c3cc(CC#N)cc[nH+]3)CC[C@@H]21 ZINC001158657064 938647453 /nfs/dbraw/zinc/64/74/53/938647453.db2.gz GYEVBTIKLSHPBP-KBPBESRZSA-N 1 2 284.363 1.595 20 30 CDEDLO C=CCCCNc1cc(N2CCC[C@@H]2C(N)=O)nc[nH+]1 ZINC001159263602 938715992 /nfs/dbraw/zinc/71/59/92/938715992.db2.gz ASMFZPIMWYQKOZ-LLVKDONJSA-N 1 2 275.356 1.309 20 30 CDEDLO C=CCCCNc1cc(N2CCC[C@@H]2C(N)=O)[nH+]cn1 ZINC001159263602 938715994 /nfs/dbraw/zinc/71/59/94/938715994.db2.gz ASMFZPIMWYQKOZ-LLVKDONJSA-N 1 2 275.356 1.309 20 30 CDEDLO Cc1ccc(C(=O)/C=C/C(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC001160599280 938802707 /nfs/dbraw/zinc/80/27/07/938802707.db2.gz HSHIMTITALVQMH-VOTSOKGWSA-N 1 2 295.342 1.973 20 30 CDEDLO C#CCOCCOCCNc1cc(N(CC)CC)nc[nH+]1 ZINC001160673275 938811871 /nfs/dbraw/zinc/81/18/71/938811871.db2.gz FYPDLPNSUSSIQQ-UHFFFAOYSA-N 1 2 292.383 1.401 20 30 CDEDLO C#CCOCCOCCNc1cc(N(CC)CC)[nH+]cn1 ZINC001160673275 938811874 /nfs/dbraw/zinc/81/18/74/938811874.db2.gz FYPDLPNSUSSIQQ-UHFFFAOYSA-N 1 2 292.383 1.401 20 30 CDEDLO COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1nccc(C)c1C#N ZINC001160691602 938815377 /nfs/dbraw/zinc/81/53/77/938815377.db2.gz UHDOOGZCWAHEQA-CYBMUJFWSA-N 1 2 299.334 1.191 20 30 CDEDLO N#Cc1ccnc(N[C@H]2CCC[C@H]2[NH+]2CCOCC2)c1F ZINC001160721770 938819307 /nfs/dbraw/zinc/81/93/07/938819307.db2.gz CFASQLXCLQLSFA-QWHCGFSZSA-N 1 2 290.342 1.758 20 30 CDEDLO C=CCN(C(=O)C[C@H]([NH3+])C(=O)OC)C1CCCCC1 ZINC001161248196 938882741 /nfs/dbraw/zinc/88/27/41/938882741.db2.gz STWYPIDQMWTJGB-LBPRGKRZSA-N 1 2 268.357 1.224 20 30 CDEDLO N#Cc1cc(Cl)nnc1NC1CN(c2cccc[nH+]2)C1 ZINC001161319279 938888125 /nfs/dbraw/zinc/88/81/25/938888125.db2.gz OOQKUEMCEGKKFZ-UHFFFAOYSA-N 1 2 286.726 1.697 20 30 CDEDLO COc1nc(NC2CN(c3cccc[nH+]3)C2)ncc1C#N ZINC001161318944 938888389 /nfs/dbraw/zinc/88/83/89/938888389.db2.gz CALXSZBCCBBVKQ-UHFFFAOYSA-N 1 2 282.307 1.053 20 30 CDEDLO Cc1cc(Cl)nc(N2CC[NH2+]CC(F)(F)C2)c1C#N ZINC001164488904 939478551 /nfs/dbraw/zinc/47/85/51/939478551.db2.gz QGYNGBXMLWRSOC-UHFFFAOYSA-N 1 2 286.713 1.960 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1c1cc2c(Cl)ccnc2cn1 ZINC001164652223 939502281 /nfs/dbraw/zinc/50/22/81/939502281.db2.gz PVAURMMCEPJMCT-SECBINFHSA-N 1 2 273.727 1.585 20 30 CDEDLO Cc1c(F)cc[nH+]c1N1CCN(c2nccnc2C#N)CC1 ZINC001166920161 939649921 /nfs/dbraw/zinc/64/99/21/939649921.db2.gz QIUXRMJYAKTYIT-UHFFFAOYSA-N 1 2 298.325 1.517 20 30 CDEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2cccn2C)CC1 ZINC001203267254 939680545 /nfs/dbraw/zinc/68/05/45/939680545.db2.gz HHEDPILUMJBXEF-UHFFFAOYSA-N 1 2 275.352 1.694 20 30 CDEDLO N#Cc1c(N)nn(-c2ccc([NH+]3CCCCC3)cc2)c1N ZINC001203717648 939701672 /nfs/dbraw/zinc/70/16/72/939701672.db2.gz JDCKGCKCQIRFGB-UHFFFAOYSA-N 1 2 282.351 1.899 20 30 CDEDLO N#Cc1cnc2ccnn2c1Nc1ccn2cc[nH+]c2c1 ZINC001204959208 939808893 /nfs/dbraw/zinc/80/88/93/939808893.db2.gz ILVXMXFAMRMHED-UHFFFAOYSA-N 1 2 275.275 1.992 20 30 CDEDLO Cc1cnc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)cn1 ZINC001207080872 940144185 /nfs/dbraw/zinc/14/41/85/940144185.db2.gz DAPBKPQKZCQYEQ-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO COC(=O)[C@@H]([NH3+])c1ccc(-c2cnc(C#N)c(F)c2)cc1 ZINC001238991746 945299630 /nfs/dbraw/zinc/29/96/30/945299630.db2.gz CMXRDXLANFWEPT-AWEZNQCLSA-N 1 2 285.278 1.932 20 30 CDEDLO COc1ncnc(Nc2c[nH+]c(C)c(N)c2)c1C#N ZINC001210288926 940679944 /nfs/dbraw/zinc/67/99/44/940679944.db2.gz XGAZFPBINNVISC-UHFFFAOYSA-N 1 2 256.269 1.386 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(CC)(CC)CC)[C@H](OC)C1 ZINC001213620700 940780434 /nfs/dbraw/zinc/78/04/34/940780434.db2.gz WAUUMUWUXHAELL-ZIAGYGMSSA-N 1 2 280.412 1.651 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(CC)(CC)CC)[C@H](OC)C1 ZINC001213620700 940780437 /nfs/dbraw/zinc/78/04/37/940780437.db2.gz WAUUMUWUXHAELL-ZIAGYGMSSA-N 1 2 280.412 1.651 20 30 CDEDLO C#Cc1cc(NC2=CCN(C(=O)C(F)(F)F)CC2)cc[nH+]1 ZINC001213731603 940784321 /nfs/dbraw/zinc/78/43/21/940784321.db2.gz MSVVTNAFUFIDEQ-UHFFFAOYSA-N 1 2 295.264 1.575 20 30 CDEDLO C#Cc1cc(Nc2cncc(CN3CCOCC3)c2)cc[nH+]1 ZINC001216603194 940953434 /nfs/dbraw/zinc/95/34/34/940953434.db2.gz SUKKBTPEUDZZAI-UHFFFAOYSA-N 1 2 294.358 1.456 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)CC(C)(C)C)[C@H]2C1 ZINC001218737213 941263014 /nfs/dbraw/zinc/26/30/14/941263014.db2.gz IQNLPYQHUYASHE-SOUVJXGZSA-N 1 2 292.423 1.604 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)CC(C)(C)C)[C@H]2C1 ZINC001218737213 941263017 /nfs/dbraw/zinc/26/30/17/941263017.db2.gz IQNLPYQHUYASHE-SOUVJXGZSA-N 1 2 292.423 1.604 20 30 CDEDLO CCc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)nc(C)n1 ZINC001226678892 942047716 /nfs/dbraw/zinc/04/77/16/942047716.db2.gz GNQHBFMQFRMARL-KYFMZXIUSA-N 1 2 275.352 1.339 20 30 CDEDLO CCc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)nc(C)n1 ZINC001226678892 942047722 /nfs/dbraw/zinc/04/77/22/942047722.db2.gz GNQHBFMQFRMARL-KYFMZXIUSA-N 1 2 275.352 1.339 20 30 CDEDLO N#CC1(NC(=O)[C@]23C[C@H]2CC[N@@H+]3Cc2ccoc2)CCC1 ZINC001277182040 942136017 /nfs/dbraw/zinc/13/60/17/942136017.db2.gz HYEAIMVULBCJFZ-CJNGLKHVSA-N 1 2 285.347 1.806 20 30 CDEDLO N#CC1(NC(=O)[C@]23C[C@H]2CC[N@H+]3Cc2ccoc2)CCC1 ZINC001277182040 942136018 /nfs/dbraw/zinc/13/60/18/942136018.db2.gz HYEAIMVULBCJFZ-CJNGLKHVSA-N 1 2 285.347 1.806 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(C#N)ccc3O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227349181 942168664 /nfs/dbraw/zinc/16/86/64/942168664.db2.gz FZBNATKESYHIGB-RBRDRRMGSA-N 1 2 272.304 1.255 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(C#N)ccc3O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227349181 942168668 /nfs/dbraw/zinc/16/86/68/942168668.db2.gz FZBNATKESYHIGB-RBRDRRMGSA-N 1 2 272.304 1.255 20 30 CDEDLO C=CCCCC(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001228927364 942395370 /nfs/dbraw/zinc/39/53/70/942395370.db2.gz ADQNDLFQQPNJNP-UHFFFAOYSA-N 1 2 290.411 1.857 20 30 CDEDLO CCCSCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001230924772 942735157 /nfs/dbraw/zinc/73/51/57/942735157.db2.gz KNPDLFPYURVEST-AWEZNQCLSA-N 1 2 298.452 1.312 20 30 CDEDLO CCCSCC(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001230924772 942735158 /nfs/dbraw/zinc/73/51/58/942735158.db2.gz KNPDLFPYURVEST-AWEZNQCLSA-N 1 2 298.452 1.312 20 30 CDEDLO C#Cc1cccc(C[NH+]2CCN(C[C@H]3CCCO3)CC2)c1 ZINC001231658897 942963179 /nfs/dbraw/zinc/96/31/79/942963179.db2.gz AXFDRQPXFGWZAK-GOSISDBHSA-N 1 2 284.403 1.965 20 30 CDEDLO Cc1cc[nH+]c(N2CCN(Cc3cc(C#N)ccn3)CC2)c1 ZINC001232477514 943291885 /nfs/dbraw/zinc/29/18/85/943291885.db2.gz BCWQHZJBHVHIOR-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3ncccn3)C2)c1 ZINC001232681881 943362787 /nfs/dbraw/zinc/36/27/87/943362787.db2.gz XHLVLBPOSHBPHA-CQSZACIVSA-N 1 2 296.330 1.707 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H](Oc3ncccn3)C2)c1 ZINC001232681881 943362793 /nfs/dbraw/zinc/36/27/93/943362793.db2.gz XHLVLBPOSHBPHA-CQSZACIVSA-N 1 2 296.330 1.707 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001232888731 943426588 /nfs/dbraw/zinc/42/65/88/943426588.db2.gz NABWMKKZKVYNNQ-KGLIPLIRSA-N 1 2 266.291 1.992 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001232888731 943426589 /nfs/dbraw/zinc/42/65/89/943426589.db2.gz NABWMKKZKVYNNQ-KGLIPLIRSA-N 1 2 266.291 1.992 20 30 CDEDLO N#Cc1cc[nH]c1CN1CC[NH+](Cc2cccnc2)CC1 ZINC001233043994 943473008 /nfs/dbraw/zinc/47/30/08/943473008.db2.gz RQLBWLVXZWXEPO-UHFFFAOYSA-N 1 2 281.363 1.599 20 30 CDEDLO CCC(=O)NC1CC[NH+](Cc2[nH]ccc2C#N)CC1 ZINC001233047254 943474747 /nfs/dbraw/zinc/47/47/47/943474747.db2.gz TZMPYRLYMFXPHJ-UHFFFAOYSA-N 1 2 260.341 1.377 20 30 CDEDLO CCOC(=O)c1ccnc(C[NH+]2CCC(C#N)CC2)c1 ZINC001233323546 943543123 /nfs/dbraw/zinc/54/31/23/943543123.db2.gz YHMVXJPUUIOUEL-UHFFFAOYSA-N 1 2 273.336 1.994 20 30 CDEDLO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001234510265 943872070 /nfs/dbraw/zinc/87/20/70/943872070.db2.gz WFXYADPHHJKYMN-TZMCWYRMSA-N 1 2 293.411 1.161 20 30 CDEDLO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001234510265 943872076 /nfs/dbraw/zinc/87/20/76/943872076.db2.gz WFXYADPHHJKYMN-TZMCWYRMSA-N 1 2 293.411 1.161 20 30 CDEDLO CCn1c[nH+]cc1COC(=O)c1ccc(C#N)n1C ZINC001263662650 943935604 /nfs/dbraw/zinc/93/56/04/943935604.db2.gz IKVPKUJEEURCLH-UHFFFAOYSA-N 1 2 258.281 1.470 20 30 CDEDLO N#CCCN1CCC[C@]2(C1)C[N@H+](Cc1ccc[nH]1)CCO2 ZINC001277939557 944134648 /nfs/dbraw/zinc/13/46/48/944134648.db2.gz XEGGYJDPPLDZPE-INIZCTEOSA-N 1 2 288.395 1.595 20 30 CDEDLO N#CCCN1CCC[C@]2(C1)C[N@@H+](Cc1ccc[nH]1)CCO2 ZINC001277939557 944134650 /nfs/dbraw/zinc/13/46/50/944134650.db2.gz XEGGYJDPPLDZPE-INIZCTEOSA-N 1 2 288.395 1.595 20 30 CDEDLO N#CCC[N@@H+]1CCC[C@@]2(CN(Cc3ccc[nH]3)CCO2)C1 ZINC001277939557 944134654 /nfs/dbraw/zinc/13/46/54/944134654.db2.gz XEGGYJDPPLDZPE-INIZCTEOSA-N 1 2 288.395 1.595 20 30 CDEDLO N#CCC[N@H+]1CCC[C@@]2(CN(Cc3ccc[nH]3)CCO2)C1 ZINC001277939557 944134657 /nfs/dbraw/zinc/13/46/57/944134657.db2.gz XEGGYJDPPLDZPE-INIZCTEOSA-N 1 2 288.395 1.595 20 30 CDEDLO CCn1ccnc1CN1CCC12C[NH+](CCCC#N)C2 ZINC001277943283 944147606 /nfs/dbraw/zinc/14/76/06/944147606.db2.gz QZQKFTFCURTIMR-UHFFFAOYSA-N 1 2 273.384 1.467 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)[C@H](C)c1nnc(CC)[nH]1 ZINC001235451517 944160827 /nfs/dbraw/zinc/16/08/27/944160827.db2.gz LMACRZFITFKGDB-GFCCVEGCSA-N 1 2 293.415 1.832 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)[C@H](C)c1nnc(CC)[nH]1 ZINC001235451517 944160832 /nfs/dbraw/zinc/16/08/32/944160832.db2.gz LMACRZFITFKGDB-GFCCVEGCSA-N 1 2 293.415 1.832 20 30 CDEDLO COCCOC1C[NH+](Cc2ccccc2CC#N)C1 ZINC001235527724 944186919 /nfs/dbraw/zinc/18/69/19/944186919.db2.gz LMFRRZDKKHNTMY-UHFFFAOYSA-N 1 2 260.337 1.600 20 30 CDEDLO N#Cc1ccc2nc(C[N@H+]3C[C@H]4CC[C@@H](C3)C4=O)cn2c1 ZINC001237607788 944879380 /nfs/dbraw/zinc/87/93/80/944879380.db2.gz ZQAFTXRHCSPBPK-BETUJISGSA-N 1 2 280.331 1.617 20 30 CDEDLO N#Cc1ccc2nc(C[N@@H+]3C[C@H]4CC[C@@H](C3)C4=O)cn2c1 ZINC001237607788 944879389 /nfs/dbraw/zinc/87/93/89/944879389.db2.gz ZQAFTXRHCSPBPK-BETUJISGSA-N 1 2 280.331 1.617 20 30 CDEDLO CCCCCCCNC(=O)N1CC[NH2+]C[C@H]1C(=O)OCC ZINC001239272117 945391129 /nfs/dbraw/zinc/39/11/29/945391129.db2.gz NNNHMKKQUJNDAI-ZDUSSCGKSA-N 1 2 299.415 1.503 20 30 CDEDLO C[C@@H](CNC(=O)C#Cc1cccs1)Cn1cc[nH+]c1 ZINC001261259594 946020522 /nfs/dbraw/zinc/02/05/22/946020522.db2.gz MYGIGCRHWMHLNV-LBPRGKRZSA-N 1 2 273.361 1.749 20 30 CDEDLO C=C[C@@H]1C[C@]1([NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1)C(=O)OCC ZINC001254929336 947658039 /nfs/dbraw/zinc/65/80/39/947658039.db2.gz RGXBFMGBXOFWDK-DSZLRUIBSA-N 1 2 277.364 1.842 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(S(=O)(=O)CC)nc1 ZINC001255149104 947752871 /nfs/dbraw/zinc/75/28/71/947752871.db2.gz GDYBLEDJWADGSB-LBPRGKRZSA-N 1 2 281.381 1.657 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001255168874 947762729 /nfs/dbraw/zinc/76/27/29/947762729.db2.gz XQDZKPBTZSQLQA-ARFHVFGLSA-N 1 2 298.390 1.949 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001255168874 947762736 /nfs/dbraw/zinc/76/27/36/947762736.db2.gz XQDZKPBTZSQLQA-ARFHVFGLSA-N 1 2 298.390 1.949 20 30 CDEDLO CCCCOC(=O)CC[C@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001257390239 948586457 /nfs/dbraw/zinc/58/64/57/948586457.db2.gz AVXPBYILSMOEQA-QWHCGFSZSA-N 1 2 267.373 1.296 20 30 CDEDLO C=CCCCNC(=S)N1CCc2[nH+]ccn2CC1 ZINC001247736244 948734528 /nfs/dbraw/zinc/73/45/28/948734528.db2.gz ZCQIGZCJMSNMBI-UHFFFAOYSA-N 1 2 264.398 1.582 20 30 CDEDLO COC(=O)c1cccc(C[NH+]2CC(CC#N)C2)c1OC ZINC001248889060 949274273 /nfs/dbraw/zinc/27/42/73/949274273.db2.gz XMGZNYPUUNAPIJ-UHFFFAOYSA-N 1 2 274.320 1.827 20 30 CDEDLO N#Cc1ccc2cc(C[NH+]3CC(N4CCOCC4)C3)[nH]c2c1 ZINC001249428819 949601949 /nfs/dbraw/zinc/60/19/49/949601949.db2.gz CJBUFMUNOBMKKT-UHFFFAOYSA-N 1 2 296.374 1.556 20 30 CDEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1C[C@H](O)CC ZINC001251766789 950797130 /nfs/dbraw/zinc/79/71/30/950797130.db2.gz XIOPJSOQRMZHBY-OCCSQVGLSA-N 1 2 294.399 1.171 20 30 CDEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1C[C@H](O)CC ZINC001251766789 950797142 /nfs/dbraw/zinc/79/71/42/950797142.db2.gz XIOPJSOQRMZHBY-OCCSQVGLSA-N 1 2 294.399 1.171 20 30 CDEDLO C#CCOC[C@H](O)CNc1ccc(-n2cc[nH+]c2)cc1 ZINC001251818861 950844510 /nfs/dbraw/zinc/84/45/10/950844510.db2.gz AQWSJYMYBHHICS-OAHLLOKOSA-N 1 2 271.320 1.295 20 30 CDEDLO C=CCOC[C@@H](O)C[NH2+][C@@H](C(=O)OCC)[C@@H](C)CC ZINC001252491742 951364416 /nfs/dbraw/zinc/36/44/16/951364416.db2.gz VAWVCCLMGYPOFY-RWMBFGLXSA-N 1 2 273.373 1.117 20 30 CDEDLO C=C[C@@](C)(O)C[N@H+](CC(=O)OCC)Cc1ccccc1 ZINC001252541860 951428906 /nfs/dbraw/zinc/42/89/06/951428906.db2.gz UZTSADFSSSEVGV-MRXNPFEDSA-N 1 2 277.364 1.989 20 30 CDEDLO C=C[C@@](C)(O)C[N@@H+](CC(=O)OCC)Cc1ccccc1 ZINC001252541860 951428910 /nfs/dbraw/zinc/42/89/10/951428910.db2.gz UZTSADFSSSEVGV-MRXNPFEDSA-N 1 2 277.364 1.989 20 30 CDEDLO C=C[C@](C)(O)C[N@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC001252559628 951456366 /nfs/dbraw/zinc/45/63/66/951456366.db2.gz KNPCGNTZRDNOEY-HOCLYGCPSA-N 1 2 275.348 1.523 20 30 CDEDLO C=C[C@](C)(O)C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC001252559628 951456378 /nfs/dbraw/zinc/45/63/78/951456378.db2.gz KNPCGNTZRDNOEY-HOCLYGCPSA-N 1 2 275.348 1.523 20 30 CDEDLO C=C[C@@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H](F)C1 ZINC001253574536 951961547 /nfs/dbraw/zinc/96/15/47/951961547.db2.gz ZQPVDSPVPBEYAK-VXGBXAGGSA-N 1 2 288.363 1.424 20 30 CDEDLO C=C[C@@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H](F)C1 ZINC001253574536 951961550 /nfs/dbraw/zinc/96/15/50/951961550.db2.gz ZQPVDSPVPBEYAK-VXGBXAGGSA-N 1 2 288.363 1.424 20 30 CDEDLO C#CC[N@H+](CC1CC1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC001253580112 951967972 /nfs/dbraw/zinc/96/79/72/951967972.db2.gz RCUXMIQZBSTHNH-UHFFFAOYSA-N 1 2 262.313 1.711 20 30 CDEDLO C#CC[N@@H+](CC1CC1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC001253580112 951967977 /nfs/dbraw/zinc/96/79/77/951967977.db2.gz RCUXMIQZBSTHNH-UHFFFAOYSA-N 1 2 262.313 1.711 20 30 CDEDLO C#CC[N@H+](CC1CC1)CN1C(=O)N[C@](C)(C(C)C)C1=O ZINC001253579141 951968378 /nfs/dbraw/zinc/96/83/78/951968378.db2.gz HZROSLZGGSKPDY-OAHLLOKOSA-N 1 2 277.368 1.256 20 30 CDEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)N[C@](C)(C(C)C)C1=O ZINC001253579141 951968385 /nfs/dbraw/zinc/96/83/85/951968385.db2.gz HZROSLZGGSKPDY-OAHLLOKOSA-N 1 2 277.368 1.256 20 30 CDEDLO C[C@H](C#N)C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001480850229 971916613 /nfs/dbraw/zinc/91/66/13/971916613.db2.gz GKIVYBIZYGAHNJ-GFCCVEGCSA-N 1 2 270.336 1.266 20 30 CDEDLO C[C@H](C#N)C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001480850229 971916616 /nfs/dbraw/zinc/91/66/16/971916616.db2.gz GKIVYBIZYGAHNJ-GFCCVEGCSA-N 1 2 270.336 1.266 20 30 CDEDLO Cn1ncc(C=[NH+]Nc2cncc(Br)c2)c1N ZINC001324475974 953406568 /nfs/dbraw/zinc/40/65/68/953406568.db2.gz QRWZAVJRATXIFR-UHFFFAOYSA-N 1 2 295.144 1.606 20 30 CDEDLO C=CC[C@@H]1NC(=O)N(CCc2cn3cccc(C)c3[nH+]2)C1=O ZINC001324610514 953470022 /nfs/dbraw/zinc/47/00/22/953470022.db2.gz IBYHKTKTMUOECJ-ZDUSSCGKSA-N 1 2 298.346 1.682 20 30 CDEDLO Cc1nc(C[N@@H+]2CC[C@@](O)(CC#N)C2)c(C)s1 ZINC001326797115 954553049 /nfs/dbraw/zinc/55/30/49/954553049.db2.gz IZXHPHVLNQONMQ-LBPRGKRZSA-N 1 2 251.355 1.610 20 30 CDEDLO Cc1nc(C[N@H+]2CC[C@@](O)(CC#N)C2)c(C)s1 ZINC001326797115 954553054 /nfs/dbraw/zinc/55/30/54/954553054.db2.gz IZXHPHVLNQONMQ-LBPRGKRZSA-N 1 2 251.355 1.610 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(C#N)n1 ZINC001364396646 954555227 /nfs/dbraw/zinc/55/52/27/954555227.db2.gz BVABXCNVULSFCR-SNVBAGLBSA-N 1 2 270.296 1.360 20 30 CDEDLO Cc1cc(NC(=O)Cc2[nH]cc[nH+]2)n(CCC#N)n1 ZINC001328727618 955443775 /nfs/dbraw/zinc/44/37/75/955443775.db2.gz QTAFIFBRMJGZAE-UHFFFAOYSA-N 1 2 258.285 1.010 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCn1cc(C)cn1 ZINC001422916401 956446798 /nfs/dbraw/zinc/44/67/98/956446798.db2.gz JWNQDIQJBVTTPT-CYBMUJFWSA-N 1 2 298.818 1.771 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCn1cc(C)cn1 ZINC001422916401 956446810 /nfs/dbraw/zinc/44/68/10/956446810.db2.gz JWNQDIQJBVTTPT-CYBMUJFWSA-N 1 2 298.818 1.771 20 30 CDEDLO C=CC[C@H]([NH2+][C@H](C)C[C@@H]1CCCC(=O)N1)C(=O)OCC ZINC001330639134 956532614 /nfs/dbraw/zinc/53/26/14/956532614.db2.gz PBCMTWYBRKCFOZ-AGIUHOORSA-N 1 2 282.384 1.531 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc(OC)cc2C)CC1 ZINC001313443487 956861896 /nfs/dbraw/zinc/86/18/96/956861896.db2.gz BIUZCLZNNCNWIM-UHFFFAOYSA-N 1 2 288.391 1.876 20 30 CDEDLO C=C(C)CN(C)C(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC001331374945 957000882 /nfs/dbraw/zinc/00/08/82/957000882.db2.gz NHQCRWYTDYLYCW-ZDUSSCGKSA-N 1 2 290.367 1.081 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@H](C)n2cccn2)C1 ZINC001366984974 957318836 /nfs/dbraw/zinc/31/88/36/957318836.db2.gz AOFTUYUXFITTPA-LBPRGKRZSA-N 1 2 296.802 1.635 20 30 CDEDLO C=C(Cl)CN1CC([C@@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001425247766 957499721 /nfs/dbraw/zinc/49/97/21/957499721.db2.gz WIONEXVOUFSLEW-GFCCVEGCSA-N 1 2 296.802 1.462 20 30 CDEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1cnccn1 ZINC001322819607 960332514 /nfs/dbraw/zinc/33/25/14/960332514.db2.gz JXHORTOHUGYQRR-WAYWQWQTSA-N 1 2 254.293 1.834 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC001433902556 960746208 /nfs/dbraw/zinc/74/62/08/960746208.db2.gz LAYNHARJCJCGLV-JKSUJKDBSA-N 1 2 294.358 1.754 20 30 CDEDLO C#CCN(CC1CC1)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC001324368322 961335310 /nfs/dbraw/zinc/33/53/10/961335310.db2.gz HYIGGBPMZGEPMM-UONOGXRCSA-N 1 2 293.411 1.150 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ncc2n1CCCC2 ZINC001437565060 963014212 /nfs/dbraw/zinc/01/42/12/963014212.db2.gz TZWSAXZRNQXIAR-UHFFFAOYSA-N 1 2 296.802 1.634 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ncc2n1CCCC2 ZINC001437565060 963014220 /nfs/dbraw/zinc/01/42/20/963014220.db2.gz TZWSAXZRNQXIAR-UHFFFAOYSA-N 1 2 296.802 1.634 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)N[C@H](C#N)C1CCCCC1 ZINC001346614437 965187653 /nfs/dbraw/zinc/18/76/53/965187653.db2.gz QUVQUJKUBQISMQ-CYBMUJFWSA-N 1 2 274.368 1.941 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001353485084 968010189 /nfs/dbraw/zinc/01/01/89/968010189.db2.gz CDJXRNQCKJVLKR-LLVKDONJSA-N 1 2 260.341 1.676 20 30 CDEDLO N#Cc1ccc(F)c(C(=O)N2CCc3cc[nH+]c(N)c3C2)c1 ZINC001454534923 968499995 /nfs/dbraw/zinc/49/99/95/968499995.db2.gz YTFIUVAZJDSJPV-UHFFFAOYSA-N 1 2 296.305 1.873 20 30 CDEDLO CC#CC[NH2+]C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001200669668 968720738 /nfs/dbraw/zinc/72/07/38/968720738.db2.gz GWNNSIZDZHNTKX-SNVBAGLBSA-N 1 2 280.265 1.491 20 30 CDEDLO CC#CC[NH2+]C1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001200669668 968720745 /nfs/dbraw/zinc/72/07/45/968720745.db2.gz GWNNSIZDZHNTKX-SNVBAGLBSA-N 1 2 280.265 1.491 20 30 CDEDLO Cc1ncsc1CC[NH+]1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001415820751 972770532 /nfs/dbraw/zinc/77/05/32/972770532.db2.gz VLHZJOARIUWOHD-LLVKDONJSA-N 1 2 292.408 1.298 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccc(OC)nc1 ZINC001372372158 972934826 /nfs/dbraw/zinc/93/48/26/972934826.db2.gz GRQMZWQDTAZWEB-UHFFFAOYSA-N 1 2 297.786 1.894 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccc(OC)nc1 ZINC001372372158 972934831 /nfs/dbraw/zinc/93/48/31/972934831.db2.gz GRQMZWQDTAZWEB-UHFFFAOYSA-N 1 2 297.786 1.894 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H](OC)C1CC1)C1CC1 ZINC001372791997 973144929 /nfs/dbraw/zinc/14/49/29/973144929.db2.gz HHBPVCATAHNLPK-CYBMUJFWSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H](OC)C1CC1)C1CC1 ZINC001372791997 973144932 /nfs/dbraw/zinc/14/49/32/973144932.db2.gz HHBPVCATAHNLPK-CYBMUJFWSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CCc1ccncn1 ZINC001377315034 974972608 /nfs/dbraw/zinc/97/26/08/974972608.db2.gz ZWHFFVYNGGVZIQ-UHFFFAOYSA-N 1 2 296.802 1.600 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CCc1ccncn1 ZINC001377315034 974972614 /nfs/dbraw/zinc/97/26/14/974972614.db2.gz ZWHFFVYNGGVZIQ-UHFFFAOYSA-N 1 2 296.802 1.600 20 30 CDEDLO C=C(Cl)CN1CC[C@@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001397009296 975435811 /nfs/dbraw/zinc/43/58/11/975435811.db2.gz FMSIBIOXWIWFOH-GFCCVEGCSA-N 1 2 282.775 1.237 20 30 CDEDLO C=C(Cl)CN1CC(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001404832940 975503333 /nfs/dbraw/zinc/50/33/33/975503333.db2.gz YJCVCQDXXRGOMM-NSHDSACASA-N 1 2 282.775 1.387 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCOC1 ZINC001379025668 975602601 /nfs/dbraw/zinc/60/26/01/975602601.db2.gz KSJAWMXECUGCET-LBPRGKRZSA-N 1 2 274.792 1.556 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCOC1 ZINC001379025668 975602609 /nfs/dbraw/zinc/60/26/09/975602609.db2.gz KSJAWMXECUGCET-LBPRGKRZSA-N 1 2 274.792 1.556 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@@H](C)c1cnn(C)c1 ZINC001399545986 976557488 /nfs/dbraw/zinc/55/74/88/976557488.db2.gz WKXQTLHXTWWILG-LLVKDONJSA-N 1 2 298.818 1.714 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@@H](C)c1cnn(C)c1 ZINC001399545986 976557499 /nfs/dbraw/zinc/55/74/99/976557499.db2.gz WKXQTLHXTWWILG-LLVKDONJSA-N 1 2 298.818 1.714 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001399660912 976628722 /nfs/dbraw/zinc/62/87/22/976628722.db2.gz AOPOMGIZPCZYDR-NSHDSACASA-N 1 2 284.791 1.324 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001399660912 976628728 /nfs/dbraw/zinc/62/87/28/976628728.db2.gz AOPOMGIZPCZYDR-NSHDSACASA-N 1 2 284.791 1.324 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)Cc1nnc(C)o1 ZINC001391042265 976660290 /nfs/dbraw/zinc/66/02/90/976660290.db2.gz MMTBGDNJFRJKOJ-NSHDSACASA-N 1 2 298.774 1.254 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1nnc(C)o1 ZINC001391042265 976660299 /nfs/dbraw/zinc/66/02/99/976660299.db2.gz MMTBGDNJFRJKOJ-NSHDSACASA-N 1 2 298.774 1.254 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(=O)[nH]c1 ZINC001403191302 976797973 /nfs/dbraw/zinc/79/79/73/976797973.db2.gz RAQAZRUQOYSNKJ-JTQLQIEISA-N 1 2 283.759 1.590 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(=O)[nH]c1 ZINC001403191302 976797980 /nfs/dbraw/zinc/79/79/80/976797980.db2.gz RAQAZRUQOYSNKJ-JTQLQIEISA-N 1 2 283.759 1.590 20 30 CDEDLO C[C@H](C#N)C(=O)NCC1C[NH+](Cc2cc(F)ccc2F)C1 ZINC001391475478 976908291 /nfs/dbraw/zinc/90/82/91/976908291.db2.gz PJLJPMVSRUNFNX-SNVBAGLBSA-N 1 2 293.317 1.672 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(=O)[nH]c1 ZINC001392719781 977570510 /nfs/dbraw/zinc/57/05/10/977570510.db2.gz VTSHHVXXJVRFSG-JTQLQIEISA-N 1 2 283.759 1.590 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(=O)[nH]c1 ZINC001392719781 977570519 /nfs/dbraw/zinc/57/05/19/977570519.db2.gz VTSHHVXXJVRFSG-JTQLQIEISA-N 1 2 283.759 1.590 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1ccc(F)cn1 ZINC001394084146 978056917 /nfs/dbraw/zinc/05/69/17/978056917.db2.gz XFKMLIHYSHYPSD-LLVKDONJSA-N 1 2 299.777 1.952 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1ccc(F)cn1 ZINC001394084146 978056923 /nfs/dbraw/zinc/05/69/23/978056923.db2.gz XFKMLIHYSHYPSD-LLVKDONJSA-N 1 2 299.777 1.952 20 30 CDEDLO CCc1cc(C#N)ccc1OC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC001573825612 1170790923 /nfs/dbraw/zinc/79/09/23/1170790923.db2.gz DBJNNTKNHWRXEC-CZUORRHYSA-N 1 2 288.347 1.793 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cn[nH]n2)C1 ZINC001575048303 1171095054 /nfs/dbraw/zinc/09/50/54/1171095054.db2.gz BWDCLSFPKVTHFR-QWHCGFSZSA-N 1 2 291.399 1.678 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)cc1F ZINC000192070175 342468056 /nfs/dbraw/zinc/46/80/56/342468056.db2.gz OSQGTBPTRNHXCJ-GJZGRUSLSA-N 1 2 287.338 1.940 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)cc1F ZINC000192070175 342468057 /nfs/dbraw/zinc/46/80/57/342468057.db2.gz OSQGTBPTRNHXCJ-GJZGRUSLSA-N 1 2 287.338 1.940 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000588206834 342494191 /nfs/dbraw/zinc/49/41/91/342494191.db2.gz NKYDALNDBMABKD-KBPBESRZSA-N 1 2 276.336 1.400 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000588206834 342494192 /nfs/dbraw/zinc/49/41/92/342494192.db2.gz NKYDALNDBMABKD-KBPBESRZSA-N 1 2 276.336 1.400 20 30 CDEDLO N#Cc1ccc(NCC2CC[NH+](CC(F)F)CC2)nc1 ZINC000590567403 342576192 /nfs/dbraw/zinc/57/61/92/342576192.db2.gz BDNUMWMNYMVXHN-UHFFFAOYSA-N 1 2 280.322 1.764 20 30 CDEDLO CC[C@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@H](C)O1 ZINC000111276785 342579484 /nfs/dbraw/zinc/57/94/84/342579484.db2.gz ZVDJNIIRZZYDHT-KBPBESRZSA-N 1 2 292.383 1.142 20 30 CDEDLO CC[C@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@H](C)O1 ZINC000111276785 342579485 /nfs/dbraw/zinc/57/94/85/342579485.db2.gz ZVDJNIIRZZYDHT-KBPBESRZSA-N 1 2 292.383 1.142 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CCCO1 ZINC000329696251 361817371 /nfs/dbraw/zinc/81/73/71/361817371.db2.gz BTAHYADNGCGVSB-GHMZBOCLSA-N 1 2 278.356 1.292 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CCCO1 ZINC000329696251 361817374 /nfs/dbraw/zinc/81/73/74/361817374.db2.gz BTAHYADNGCGVSB-GHMZBOCLSA-N 1 2 278.356 1.292 20 30 CDEDLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)NC2(C#N)CCC2)nc1 ZINC000590754459 342587797 /nfs/dbraw/zinc/58/77/97/342587797.db2.gz BFBBEJHBDKKLBX-CYBMUJFWSA-N 1 2 286.379 1.773 20 30 CDEDLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)NC2(C#N)CCC2)nc1 ZINC000590754459 342587798 /nfs/dbraw/zinc/58/77/98/342587798.db2.gz BFBBEJHBDKKLBX-CYBMUJFWSA-N 1 2 286.379 1.773 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000590747468 342587103 /nfs/dbraw/zinc/58/71/03/342587103.db2.gz IYOBPAZYOIVTKK-NWDGAFQWSA-N 1 2 282.384 1.328 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000590747468 342587104 /nfs/dbraw/zinc/58/71/04/342587104.db2.gz IYOBPAZYOIVTKK-NWDGAFQWSA-N 1 2 282.384 1.328 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000063086374 342580455 /nfs/dbraw/zinc/58/04/55/342580455.db2.gz CKKPZOCSTPEIEP-JSGCOSHPSA-N 1 2 273.336 1.532 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000063086374 342580456 /nfs/dbraw/zinc/58/04/56/342580456.db2.gz CKKPZOCSTPEIEP-JSGCOSHPSA-N 1 2 273.336 1.532 20 30 CDEDLO N#Cc1cncc(N2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000591907571 342655869 /nfs/dbraw/zinc/65/58/69/342655869.db2.gz GHKCNKNWZBKOHI-GFCCVEGCSA-N 1 2 254.297 1.386 20 30 CDEDLO C=C[C@H]([NH2+][C@H](C(C)C)[C@H](CO)C(C)C)C(=O)OC ZINC000590758014 342643915 /nfs/dbraw/zinc/64/39/15/342643915.db2.gz KPEIOOJZSKYGCY-FRRDWIJNSA-N 1 2 257.374 1.593 20 30 CDEDLO Cc1cc(N2CCN(C(=O)N3CCCC3)CC2)c(C#N)c[nH+]1 ZINC000591817987 342647320 /nfs/dbraw/zinc/64/73/20/342647320.db2.gz IBQQZHVAEJAJHJ-UHFFFAOYSA-N 1 2 299.378 1.600 20 30 CDEDLO COc1ccc(F)cc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146774 342673582 /nfs/dbraw/zinc/67/35/82/342673582.db2.gz KHWBRXMJGFSGPB-AWEZNQCLSA-N 1 2 264.300 1.685 20 30 CDEDLO COc1ccc(F)cc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146774 342673583 /nfs/dbraw/zinc/67/35/83/342673583.db2.gz KHWBRXMJGFSGPB-AWEZNQCLSA-N 1 2 264.300 1.685 20 30 CDEDLO C[C@H](C(=O)N(C)c1ccccc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147122 342673761 /nfs/dbraw/zinc/67/37/61/342673761.db2.gz IOPMFKZCMNXJED-CZUORRHYSA-N 1 2 287.363 1.388 20 30 CDEDLO C[C@H](C(=O)N(C)c1ccccc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147122 342673763 /nfs/dbraw/zinc/67/37/63/342673763.db2.gz IOPMFKZCMNXJED-CZUORRHYSA-N 1 2 287.363 1.388 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC2(CCC2)O1 ZINC000592186963 342680065 /nfs/dbraw/zinc/68/00/65/342680065.db2.gz GUCPYZSOUFKYMH-IUODEOHRSA-N 1 2 291.395 1.438 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC2(CCC2)O1 ZINC000592186963 342680066 /nfs/dbraw/zinc/68/00/66/342680066.db2.gz GUCPYZSOUFKYMH-IUODEOHRSA-N 1 2 291.395 1.438 20 30 CDEDLO Cc1cc(C#N)nc(NCCc2cn3c(cccc3C)[nH+]2)n1 ZINC000592006993 342661461 /nfs/dbraw/zinc/66/14/61/342661461.db2.gz VRRLCDYGGZBIPS-UHFFFAOYSA-N 1 2 292.346 1.689 20 30 CDEDLO Cc1cccc2[nH+]c(CCNC(=O)N(C)C[C@H](C)C#N)cn21 ZINC000592129223 342667532 /nfs/dbraw/zinc/66/75/32/342667532.db2.gz MURVYBFIEDKIGV-GFCCVEGCSA-N 1 2 299.378 1.986 20 30 CDEDLO COCCc1nc(C[NH+]2CCC(CCC#N)CC2)no1 ZINC000592135973 342672277 /nfs/dbraw/zinc/67/22/77/342672277.db2.gz PSTWURGXFKDPRF-UHFFFAOYSA-N 1 2 278.356 1.774 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000339749892 361870387 /nfs/dbraw/zinc/87/03/87/361870387.db2.gz JJNZRVOFXUSTMP-CQSZACIVSA-N 1 2 272.348 1.061 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000339749892 361870391 /nfs/dbraw/zinc/87/03/91/361870391.db2.gz JJNZRVOFXUSTMP-CQSZACIVSA-N 1 2 272.348 1.061 20 30 CDEDLO [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+][C@@H]1CCO[C@@H]1C1CC1 ZINC000329705189 361879585 /nfs/dbraw/zinc/87/95/85/361879585.db2.gz JFSADIFPFRYHFQ-MPKXVKKWSA-N 1 2 290.367 1.338 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1coc(=O)c2ccccc12 ZINC000593153265 342773826 /nfs/dbraw/zinc/77/38/26/342773826.db2.gz ISTDYXLLFCFTEU-MRXNPFEDSA-N 1 2 299.330 1.367 20 30 CDEDLO COC(=O)[C@@H]1CN(c2cc(C)[nH+]cc2C#N)C[C@H](C)O1 ZINC000593506508 342809424 /nfs/dbraw/zinc/80/94/24/342809424.db2.gz QHLOHONNLTYORO-GWCFXTLKSA-N 1 2 275.308 1.028 20 30 CDEDLO CC[C@@H](C#N)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000593550273 342811032 /nfs/dbraw/zinc/81/10/32/342811032.db2.gz SRJWLRFWMAGCHI-RYUDHWBXSA-N 1 2 258.325 1.326 20 30 CDEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cccc(O)c1 ZINC000080917890 342212967 /nfs/dbraw/zinc/21/29/67/342212967.db2.gz XQGYYBSRXPSHKG-MRXNPFEDSA-N 1 2 287.363 1.632 20 30 CDEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cccc(O)c1 ZINC000080917890 342212968 /nfs/dbraw/zinc/21/29/68/342212968.db2.gz XQGYYBSRXPSHKG-MRXNPFEDSA-N 1 2 287.363 1.632 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000594008952 342862958 /nfs/dbraw/zinc/86/29/58/342862958.db2.gz RKDQNDTUXMKQIS-ZNMIVQPWSA-N 1 2 295.427 1.980 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1cccc(OC)c1 ZINC000594009577 342863230 /nfs/dbraw/zinc/86/32/30/342863230.db2.gz DMRMVJWSESKBQH-ZDUSSCGKSA-N 1 2 275.352 1.593 20 30 CDEDLO C=CCCCS(=O)(=O)NCCNc1cccc[nH+]1 ZINC000292764569 539060051 /nfs/dbraw/zinc/06/00/51/539060051.db2.gz XCDWWFBDZONCTC-UHFFFAOYSA-N 1 2 269.370 1.379 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)CSCC[NH+]1CCOCC1 ZINC000127387151 342231776 /nfs/dbraw/zinc/23/17/76/342231776.db2.gz VTXRZTLOKGTBSI-AWEZNQCLSA-N 1 2 299.440 1.106 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccccc3)C2=O)C1 ZINC000594659320 342936224 /nfs/dbraw/zinc/93/62/24/342936224.db2.gz CMKUBXQZUQSTQB-UKRRQHHQSA-N 1 2 297.358 1.944 20 30 CDEDLO N#CC[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccccc3)C2=O)C1 ZINC000594659320 342936225 /nfs/dbraw/zinc/93/62/25/342936225.db2.gz CMKUBXQZUQSTQB-UKRRQHHQSA-N 1 2 297.358 1.944 20 30 CDEDLO CCN1CC[C@@H]([NH+]2CCN(c3ccccc3C#N)CC2)C1=O ZINC000595302136 343028467 /nfs/dbraw/zinc/02/84/67/343028467.db2.gz RWWSJUHWQJWWFY-MRXNPFEDSA-N 1 2 298.390 1.301 20 30 CDEDLO N#C[C@H](c1ccc(F)cc1)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000619511243 349783905 /nfs/dbraw/zinc/78/39/05/349783905.db2.gz PJZBXHYZOUPAFA-MRXNPFEDSA-N 1 2 299.353 1.931 20 30 CDEDLO N#C[C@H](c1ccc(F)cc1)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000619511243 349783909 /nfs/dbraw/zinc/78/39/09/349783909.db2.gz PJZBXHYZOUPAFA-MRXNPFEDSA-N 1 2 299.353 1.931 20 30 CDEDLO CC(C)(C(N)=O)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000595348045 343045194 /nfs/dbraw/zinc/04/51/94/343045194.db2.gz XYLDFWPSFCHSTF-CQSZACIVSA-N 1 2 286.379 1.133 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC000595391423 343053856 /nfs/dbraw/zinc/05/38/56/343053856.db2.gz KSIKEGVVCWJAIW-UHFFFAOYSA-N 1 2 260.341 1.583 20 30 CDEDLO CNC(=O)C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076153366 342319504 /nfs/dbraw/zinc/31/95/04/342319504.db2.gz OOODRISUXKQDET-KBPBESRZSA-N 1 2 257.337 1.504 20 30 CDEDLO CNC(=O)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076153366 342319505 /nfs/dbraw/zinc/31/95/05/342319505.db2.gz OOODRISUXKQDET-KBPBESRZSA-N 1 2 257.337 1.504 20 30 CDEDLO N#CC1(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000619534070 349793915 /nfs/dbraw/zinc/79/39/15/349793915.db2.gz HHRZBTRKBQTBCE-UHFFFAOYSA-N 1 2 299.378 1.213 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)Cc1c[nH+]c[nH]1 ZINC000595595016 343098174 /nfs/dbraw/zinc/09/81/74/343098174.db2.gz ANEYKDNYPQPQOR-LBPRGKRZSA-N 1 2 289.383 1.573 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000595620679 343111085 /nfs/dbraw/zinc/11/10/85/343111085.db2.gz OPUMGEOUSXRXCJ-LLVKDONJSA-N 1 2 271.324 1.148 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000595620679 343111086 /nfs/dbraw/zinc/11/10/86/343111086.db2.gz OPUMGEOUSXRXCJ-LLVKDONJSA-N 1 2 271.324 1.148 20 30 CDEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1cc(C#N)cnn1 ZINC000596107325 343229119 /nfs/dbraw/zinc/22/91/19/343229119.db2.gz HEMDTKVZCBCLJF-UHFFFAOYSA-N 1 2 296.256 1.743 20 30 CDEDLO COCC[N@@H+]1CC[C@H](Nc2nc(C#N)c(Cl)s2)C1 ZINC000596125057 343236850 /nfs/dbraw/zinc/23/68/50/343236850.db2.gz YJIXIKFEJHTIMM-QMMMGPOBSA-N 1 2 286.788 1.223 20 30 CDEDLO COCC[N@H+]1CC[C@H](Nc2nc(C#N)c(Cl)s2)C1 ZINC000596125057 343236852 /nfs/dbraw/zinc/23/68/52/343236852.db2.gz YJIXIKFEJHTIMM-QMMMGPOBSA-N 1 2 286.788 1.223 20 30 CDEDLO CCc1nc(C#N)cc(NCCc2[nH]c3ccccc3[nH+]2)n1 ZINC000596062399 343223835 /nfs/dbraw/zinc/22/38/35/343223835.db2.gz QPAFIRJBTNPTLS-UHFFFAOYSA-N 1 2 292.346 1.863 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NCc2ccc[nH+]c2N2CCCC2)c1 ZINC000596451476 343324171 /nfs/dbraw/zinc/32/41/71/343324171.db2.gz YLZONODHKGDAHQ-UHFFFAOYSA-N 1 2 295.346 1.812 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000597004154 343428196 /nfs/dbraw/zinc/42/81/96/343428196.db2.gz KNDJHJROTSFSRH-LBPRGKRZSA-N 1 2 296.330 1.964 20 30 CDEDLO Cn1nc(C(F)(F)F)cc1C[NH2+]CC1(C#N)CC1 ZINC000597120476 343458531 /nfs/dbraw/zinc/45/85/31/343458531.db2.gz FNDXWKQBERHQFI-UHFFFAOYSA-N 1 2 258.247 1.832 20 30 CDEDLO N#Cc1ccc(CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)cc1F ZINC000597754343 343615424 /nfs/dbraw/zinc/61/54/24/343615424.db2.gz GOOALISDPJUADH-NSHDSACASA-N 1 2 298.321 1.842 20 30 CDEDLO N#Cc1ccc(CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)cc1F ZINC000597754343 343615425 /nfs/dbraw/zinc/61/54/25/343615425.db2.gz GOOALISDPJUADH-NSHDSACASA-N 1 2 298.321 1.842 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612002671 346962133 /nfs/dbraw/zinc/96/21/33/346962133.db2.gz LJQUNKURPFSTCZ-JSGCOSHPSA-N 1 2 275.356 1.607 20 30 CDEDLO C=C[C@H]([NH2+]C1CCN(C(=O)C(CC)CC)CC1)C(=O)OC ZINC000619700572 349857204 /nfs/dbraw/zinc/85/72/04/349857204.db2.gz CHBILQGRIPQEGC-AWEZNQCLSA-N 1 2 296.411 1.731 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(OCC2CC2)CC1 ZINC000619718140 349868513 /nfs/dbraw/zinc/86/85/13/349868513.db2.gz BUOQPAYXKWRFEZ-CYBMUJFWSA-N 1 2 253.342 1.605 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000619717858 349868875 /nfs/dbraw/zinc/86/88/75/349868875.db2.gz QSDVXQHUUNWXKS-HUUCEWRRSA-N 1 2 293.363 1.224 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000619717858 349868879 /nfs/dbraw/zinc/86/88/79/349868879.db2.gz QSDVXQHUUNWXKS-HUUCEWRRSA-N 1 2 293.363 1.224 20 30 CDEDLO Cn1cnc2c1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C2 ZINC000598590412 343837643 /nfs/dbraw/zinc/83/76/43/343837643.db2.gz XWAHIBTXHXUUNA-NSHDSACASA-N 1 2 262.357 1.079 20 30 CDEDLO Cn1cnc2c1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C2 ZINC000598590412 343837645 /nfs/dbraw/zinc/83/76/45/343837645.db2.gz XWAHIBTXHXUUNA-NSHDSACASA-N 1 2 262.357 1.079 20 30 CDEDLO Cn1c[nH+]c2c1CCN(C[C@@H](O)CC(C)(C)C#N)C2 ZINC000598590412 343837648 /nfs/dbraw/zinc/83/76/48/343837648.db2.gz XWAHIBTXHXUUNA-NSHDSACASA-N 1 2 262.357 1.079 20 30 CDEDLO N#CCCCCCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598950897 343934032 /nfs/dbraw/zinc/93/40/32/343934032.db2.gz VWZWAHZLJOFZPV-LBPRGKRZSA-N 1 2 260.341 1.788 20 30 CDEDLO Cc1ccc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1C#N ZINC000599401641 344043090 /nfs/dbraw/zinc/04/30/90/344043090.db2.gz YXZZCAFQFGNSED-CQSZACIVSA-N 1 2 278.377 1.486 20 30 CDEDLO Cc1ccc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1C#N ZINC000599401641 344043092 /nfs/dbraw/zinc/04/30/92/344043092.db2.gz YXZZCAFQFGNSED-CQSZACIVSA-N 1 2 278.377 1.486 20 30 CDEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)CSCC#N ZINC000601604304 344208357 /nfs/dbraw/zinc/20/83/57/344208357.db2.gz FTRWCHNJZMDGLG-VIFPVBQESA-N 1 2 252.343 1.337 20 30 CDEDLO N#CC1(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)CCC1 ZINC000601730101 344239160 /nfs/dbraw/zinc/23/91/60/344239160.db2.gz VTGVZQPBHHQQMP-UHFFFAOYSA-N 1 2 299.374 1.730 20 30 CDEDLO C=CCOc1ccc(C[NH2+]Cc2cnn(C)n2)cc1 ZINC000290171181 362379424 /nfs/dbraw/zinc/37/94/24/362379424.db2.gz QYUABKJIBUKJEM-UHFFFAOYSA-N 1 2 258.325 1.670 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612136849 347053434 /nfs/dbraw/zinc/05/34/34/347053434.db2.gz LZQWINXMSJQKRF-HIFRSBDPSA-N 1 2 294.399 1.042 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612136849 347053438 /nfs/dbraw/zinc/05/34/38/347053438.db2.gz LZQWINXMSJQKRF-HIFRSBDPSA-N 1 2 294.399 1.042 20 30 CDEDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)CC1(CC#N)CC1 ZINC000602782937 344597979 /nfs/dbraw/zinc/59/79/79/344597979.db2.gz CKRTWCNFFKXMNL-NSHDSACASA-N 1 2 258.387 1.435 20 30 CDEDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)CC1(CC#N)CC1 ZINC000602782937 344597981 /nfs/dbraw/zinc/59/79/81/344597981.db2.gz CKRTWCNFFKXMNL-NSHDSACASA-N 1 2 258.387 1.435 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000602869853 344640607 /nfs/dbraw/zinc/64/06/07/344640607.db2.gz PSPRNZNECZNAHS-ZJUUUORDSA-N 1 2 292.314 1.754 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612165913 347067626 /nfs/dbraw/zinc/06/76/26/347067626.db2.gz RFPMLZPFHJTNDA-SMDDNHRTSA-N 1 2 278.356 1.012 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612165913 347067630 /nfs/dbraw/zinc/06/76/30/347067630.db2.gz RFPMLZPFHJTNDA-SMDDNHRTSA-N 1 2 278.356 1.012 20 30 CDEDLO C[C@H](C#N)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000609492023 345041492 /nfs/dbraw/zinc/04/14/92/345041492.db2.gz RCTKEDUECASHTG-SNVBAGLBSA-N 1 2 299.290 1.670 20 30 CDEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000072692449 345353005 /nfs/dbraw/zinc/35/30/05/345353005.db2.gz ODAVZSWKUWBYOG-HUUCEWRRSA-N 1 2 295.427 1.884 20 30 CDEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000072692449 345353009 /nfs/dbraw/zinc/35/30/09/345353009.db2.gz ODAVZSWKUWBYOG-HUUCEWRRSA-N 1 2 295.427 1.884 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617729807 345938895 /nfs/dbraw/zinc/93/88/95/345938895.db2.gz HLRWXHGCWMPKTO-UONOGXRCSA-N 1 2 280.412 1.980 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617729807 345938899 /nfs/dbraw/zinc/93/88/99/345938899.db2.gz HLRWXHGCWMPKTO-UONOGXRCSA-N 1 2 280.412 1.980 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNc1c(C#N)cnc2ccccc21 ZINC000610276134 346240926 /nfs/dbraw/zinc/24/09/26/346240926.db2.gz TYYWGWKXBGRDJK-ZDUSSCGKSA-N 1 2 296.374 1.661 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNc1c(C#N)cnc2ccccc21 ZINC000610276134 346240928 /nfs/dbraw/zinc/24/09/28/346240928.db2.gz TYYWGWKXBGRDJK-ZDUSSCGKSA-N 1 2 296.374 1.661 20 30 CDEDLO Cc1cc(N2CCC(F)(F)[C@H](CO)C2)c(C#N)c[nH+]1 ZINC000404050755 346247294 /nfs/dbraw/zinc/24/72/94/346247294.db2.gz YAPYDQWVPJVSFZ-NSHDSACASA-N 1 2 267.279 1.716 20 30 CDEDLO C[C@@H](NC(=O)NCc1[nH+]ccn1C)c1cccc(C#N)c1 ZINC000610353778 346259084 /nfs/dbraw/zinc/25/90/84/346259084.db2.gz HETKQOVGASUTIF-LLVKDONJSA-N 1 2 283.335 1.852 20 30 CDEDLO COCC#CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000611140461 346621187 /nfs/dbraw/zinc/62/11/87/346621187.db2.gz SYIDIVQRJFDJSV-UHFFFAOYSA-N 1 2 289.335 1.367 20 30 CDEDLO CCCC[C@@H]([NH2+]C1CCN(CC#N)CC1)C(=O)OC ZINC000611193593 346689839 /nfs/dbraw/zinc/68/98/39/346689839.db2.gz ODZITOGZZVUTMV-CYBMUJFWSA-N 1 2 267.373 1.296 20 30 CDEDLO CC[N@@H+](CC(=O)NCCOc1ccccc1)C[C@@H](C)C#N ZINC000066424397 347485999 /nfs/dbraw/zinc/48/59/99/347485999.db2.gz GFIIPSCJMVZZKI-AWEZNQCLSA-N 1 2 289.379 1.663 20 30 CDEDLO CC[N@H+](CC(=O)NCCOc1ccccc1)C[C@@H](C)C#N ZINC000066424397 347486002 /nfs/dbraw/zinc/48/60/02/347486002.db2.gz GFIIPSCJMVZZKI-AWEZNQCLSA-N 1 2 289.379 1.663 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cn(C)nc1C(F)F ZINC000491553490 347584086 /nfs/dbraw/zinc/58/40/86/347584086.db2.gz AIUVHDBUFJXUKL-UHFFFAOYSA-N 1 2 251.280 1.816 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cn(C)nc1C(F)F ZINC000491553490 347584094 /nfs/dbraw/zinc/58/40/94/347584094.db2.gz AIUVHDBUFJXUKL-UHFFFAOYSA-N 1 2 251.280 1.816 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCOc2ccccc2C1 ZINC000613564374 347783575 /nfs/dbraw/zinc/78/35/75/347783575.db2.gz AQLUPUTYLLVMOY-LBPRGKRZSA-N 1 2 260.337 1.572 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCOc2ccccc2C1 ZINC000613564374 347783577 /nfs/dbraw/zinc/78/35/77/347783577.db2.gz AQLUPUTYLLVMOY-LBPRGKRZSA-N 1 2 260.337 1.572 20 30 CDEDLO N#Cc1cccnc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000054866767 347833321 /nfs/dbraw/zinc/83/33/21/347833321.db2.gz BWKXURWCRBNQQW-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@](COC)(C(=O)OCC)C1 ZINC000619722321 348210055 /nfs/dbraw/zinc/21/00/55/348210055.db2.gz LKMFTMMKESUDEA-WFASDCNBSA-N 1 2 299.367 1.006 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@](COC)(C(=O)OCC)C1 ZINC000619722321 348210057 /nfs/dbraw/zinc/21/00/57/348210057.db2.gz LKMFTMMKESUDEA-WFASDCNBSA-N 1 2 299.367 1.006 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000636005905 362864677 /nfs/dbraw/zinc/86/46/77/362864677.db2.gz RDJBISRRUQYNIT-CYBMUJFWSA-N 1 2 273.336 1.700 20 30 CDEDLO CNc1cc2c(nn1)CC[N@@H+]([C@H](C)c1cccc(C#N)c1)C2 ZINC000614963154 348287377 /nfs/dbraw/zinc/28/73/77/348287377.db2.gz MVBJNBFEFKHNLM-GFCCVEGCSA-N 1 2 293.374 1.931 20 30 CDEDLO CNc1cc2c(nn1)CC[N@H+]([C@H](C)c1cccc(C#N)c1)C2 ZINC000614963154 348287380 /nfs/dbraw/zinc/28/73/80/348287380.db2.gz MVBJNBFEFKHNLM-GFCCVEGCSA-N 1 2 293.374 1.931 20 30 CDEDLO C=C[C@@](C)(O)C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000614966961 348288760 /nfs/dbraw/zinc/28/87/60/348288760.db2.gz CTDSUZKPYGLDOZ-CYBMUJFWSA-N 1 2 276.327 1.017 20 30 CDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1[nH+]ccn1C ZINC000061513014 348906335 /nfs/dbraw/zinc/90/63/35/348906335.db2.gz RXPZNGUYKRRSNY-LBPRGKRZSA-N 1 2 298.346 1.718 20 30 CDEDLO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602454373 350111481 /nfs/dbraw/zinc/11/14/81/350111481.db2.gz MFDLHXXQRMQIRO-OAHLLOKOSA-N 1 2 286.379 1.690 20 30 CDEDLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602454373 350111484 /nfs/dbraw/zinc/11/14/84/350111484.db2.gz MFDLHXXQRMQIRO-OAHLLOKOSA-N 1 2 286.379 1.690 20 30 CDEDLO C=CCCOCC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000620184383 350085805 /nfs/dbraw/zinc/08/58/05/350085805.db2.gz LYMIDIKCAGTAKK-UHFFFAOYSA-N 1 2 277.368 1.471 20 30 CDEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cccc(C#N)n3)C2)n1 ZINC000602488603 350114094 /nfs/dbraw/zinc/11/40/94/350114094.db2.gz YWHDBKZNSQNERZ-GFCCVEGCSA-N 1 2 282.351 1.759 20 30 CDEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cccc(C#N)n3)C2)n1 ZINC000602488603 350114096 /nfs/dbraw/zinc/11/40/96/350114096.db2.gz YWHDBKZNSQNERZ-GFCCVEGCSA-N 1 2 282.351 1.759 20 30 CDEDLO Cc1nc([C@@H]2CCC[N@H+](Cc3cccc(C#N)n3)C2)n[nH]1 ZINC000602488603 350114098 /nfs/dbraw/zinc/11/40/98/350114098.db2.gz YWHDBKZNSQNERZ-GFCCVEGCSA-N 1 2 282.351 1.759 20 30 CDEDLO Cc1nnc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c(C#N)c1C ZINC000104659744 186010952 /nfs/dbraw/zinc/01/09/52/186010952.db2.gz BDCSBGPCOKUTKZ-CHWSQXEVSA-N 1 2 289.383 1.486 20 30 CDEDLO Cc1cc(NC(=O)N(C)CCCn2cc[nH+]c2)ncc1C#N ZINC000603117909 350202121 /nfs/dbraw/zinc/20/21/21/350202121.db2.gz FCCCGZCRGFNSMU-UHFFFAOYSA-N 1 2 298.350 1.434 20 30 CDEDLO C=CCCn1cc(C(=O)N[C@@H](C)c2[nH+]ccn2C)nn1 ZINC000620612273 350284689 /nfs/dbraw/zinc/28/46/89/350284689.db2.gz SXFYEARNRQHTSZ-JTQLQIEISA-N 1 2 274.328 1.079 20 30 CDEDLO C=CCOc1cccnc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620603276 350277291 /nfs/dbraw/zinc/27/72/91/350277291.db2.gz GKWUGYHSKOSDGD-NSHDSACASA-N 1 2 286.335 1.871 20 30 CDEDLO Cc1cc(NCCCOc2ncccn2)c(C#N)c[nH+]1 ZINC000603400401 350279453 /nfs/dbraw/zinc/27/94/53/350279453.db2.gz HTEAYDPAPBJXEZ-UHFFFAOYSA-N 1 2 269.308 1.355 20 30 CDEDLO C[C@@H](CNC(=O)c1cccc(C#N)c1)Cn1cc[nH+]c1 ZINC000153404665 188081197 /nfs/dbraw/zinc/08/11/97/188081197.db2.gz QMYIYTAUHSLLBY-LBPRGKRZSA-N 1 2 268.320 1.821 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)COc1ccc(C#N)cc1 ZINC000155085600 188181244 /nfs/dbraw/zinc/18/12/44/188181244.db2.gz DVSDYFLFZPPIRV-UHFFFAOYSA-N 1 2 298.346 1.682 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1ccnn1CC ZINC000352342392 363241703 /nfs/dbraw/zinc/24/17/03/363241703.db2.gz RUJFGRCUROQEMJ-AWEZNQCLSA-N 1 2 290.411 1.924 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1ccnn1CC ZINC000352342392 363241705 /nfs/dbraw/zinc/24/17/05/363241705.db2.gz RUJFGRCUROQEMJ-AWEZNQCLSA-N 1 2 290.411 1.924 20 30 CDEDLO COC(=O)c1ccc(N2CC[N@H+](CCC#N)[C@@H](C)C2)cc1 ZINC000065566636 363315279 /nfs/dbraw/zinc/31/52/79/363315279.db2.gz FLKXHSTWUJWZAX-ZDUSSCGKSA-N 1 2 287.363 1.897 20 30 CDEDLO COC(=O)c1ccc(N2CC[N@@H+](CCC#N)[C@@H](C)C2)cc1 ZINC000065566636 363315283 /nfs/dbraw/zinc/31/52/83/363315283.db2.gz FLKXHSTWUJWZAX-ZDUSSCGKSA-N 1 2 287.363 1.897 20 30 CDEDLO N#CCc1cccc(C(=O)NCCn2cc[nH+]c2)c1 ZINC000042385222 356069834 /nfs/dbraw/zinc/06/98/34/356069834.db2.gz UHPZQFJJBKZIJH-UHFFFAOYSA-N 1 2 254.293 1.379 20 30 CDEDLO C[N@H+](C[C@H]1CCCCO1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000342635729 356096654 /nfs/dbraw/zinc/09/66/54/356096654.db2.gz QOWFDUAHYXGSLQ-HUUCEWRRSA-N 1 2 287.363 1.586 20 30 CDEDLO C[N@@H+](C[C@H]1CCCCO1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000342635729 356096655 /nfs/dbraw/zinc/09/66/55/356096655.db2.gz QOWFDUAHYXGSLQ-HUUCEWRRSA-N 1 2 287.363 1.586 20 30 CDEDLO CC#CC[C@H](CO)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000636114353 363545337 /nfs/dbraw/zinc/54/53/37/363545337.db2.gz ZHUWJTCBOSPHHA-GFCCVEGCSA-N 1 2 299.330 1.082 20 30 CDEDLO C=CCN(Cc1ccccc1)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188382556 356714025 /nfs/dbraw/zinc/71/40/25/356714025.db2.gz VBSABIACNZHVHK-UHFFFAOYSA-N 1 2 296.374 1.884 20 30 CDEDLO O=C(CC1CCCC1)NCC(=O)N1CCn2cc[nH+]c2C1 ZINC000329705237 538621175 /nfs/dbraw/zinc/62/11/75/538621175.db2.gz KALQNTXCQUUSJB-UHFFFAOYSA-N 1 2 290.367 1.762 20 30 CDEDLO Cc1cc(C)c(C#N)c(N[C@H](C)C[NH+]2CCOCC2)n1 ZINC000048336745 356789697 /nfs/dbraw/zinc/78/96/97/356789697.db2.gz YNACJLLOFUDKAN-CYBMUJFWSA-N 1 2 274.368 1.703 20 30 CDEDLO CC(=O)c1cc(C)ccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000568051146 356973143 /nfs/dbraw/zinc/97/31/43/356973143.db2.gz DBUPMYYLTFXIAV-CQSZACIVSA-N 1 2 290.363 1.783 20 30 CDEDLO CC(=O)c1cc(C)ccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000568051146 356973148 /nfs/dbraw/zinc/97/31/48/356973148.db2.gz DBUPMYYLTFXIAV-CQSZACIVSA-N 1 2 290.363 1.783 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000299414386 357056098 /nfs/dbraw/zinc/05/60/98/357056098.db2.gz WHISCBSRZFQUSL-SHARSMKWSA-N 1 2 260.381 1.638 20 30 CDEDLO C[C@@H](Nc1cccnc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000290641502 357241139 /nfs/dbraw/zinc/24/11/39/357241139.db2.gz NQFOTRFGHFMHMV-NEPJUHHUSA-N 1 2 260.341 1.474 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@H+](Cc1cccnc1)C1CC1)C1CC1 ZINC000180274914 357257814 /nfs/dbraw/zinc/25/78/14/357257814.db2.gz LQYDODDDOLEBHY-QGZVFWFLSA-N 1 2 298.390 1.854 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@@H+](Cc1cccnc1)C1CC1)C1CC1 ZINC000180274914 357257821 /nfs/dbraw/zinc/25/78/21/357257821.db2.gz LQYDODDDOLEBHY-QGZVFWFLSA-N 1 2 298.390 1.854 20 30 CDEDLO C=C(C)COCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000153834152 357420135 /nfs/dbraw/zinc/42/01/35/357420135.db2.gz JMSCSYITISJCFM-GFCCVEGCSA-N 1 2 263.341 1.154 20 30 CDEDLO N#CC1(CS(=O)(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000183978996 357474630 /nfs/dbraw/zinc/47/46/30/357474630.db2.gz LYDCFUXUFCKPLZ-UHFFFAOYSA-N 1 2 290.348 1.057 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCCN(C(N)=O)CC1 ZINC000186925444 357706595 /nfs/dbraw/zinc/70/65/95/357706595.db2.gz IMPFUTYTHDNMDH-UHFFFAOYSA-N 1 2 292.770 1.798 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCN(C(N)=O)CC1 ZINC000186925444 357706598 /nfs/dbraw/zinc/70/65/98/357706598.db2.gz IMPFUTYTHDNMDH-UHFFFAOYSA-N 1 2 292.770 1.798 20 30 CDEDLO CN1CC[N@H+](CCCOc2cccc(C#N)c2)CC1=O ZINC000084203701 358050403 /nfs/dbraw/zinc/05/04/03/358050403.db2.gz IAYCOKPAONNESF-UHFFFAOYSA-N 1 2 273.336 1.101 20 30 CDEDLO CN1CC[N@@H+](CCCOc2cccc(C#N)c2)CC1=O ZINC000084203701 358050405 /nfs/dbraw/zinc/05/04/05/358050405.db2.gz IAYCOKPAONNESF-UHFFFAOYSA-N 1 2 273.336 1.101 20 30 CDEDLO CCS(=O)(=O)C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000193229498 358275585 /nfs/dbraw/zinc/27/55/85/358275585.db2.gz UJGSABXBVJGBQK-UHFFFAOYSA-N 1 2 292.404 1.957 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000592149107 358587470 /nfs/dbraw/zinc/58/74/70/358587470.db2.gz IWXQRECBPMSIJG-OAHLLOKOSA-N 1 2 274.368 1.849 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000592149107 358587471 /nfs/dbraw/zinc/58/74/71/358587471.db2.gz IWXQRECBPMSIJG-OAHLLOKOSA-N 1 2 274.368 1.849 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)c1cccc(C#N)c1 ZINC000401766326 358594524 /nfs/dbraw/zinc/59/45/24/358594524.db2.gz YPNKYEFXCXHCSA-UHFFFAOYSA-N 1 2 254.293 1.264 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1nccs1 ZINC000184440999 358739311 /nfs/dbraw/zinc/73/93/11/358739311.db2.gz NJUHCJWPTFITQC-QWRGUYRKSA-N 1 2 280.397 1.802 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC000041703575 358897170 /nfs/dbraw/zinc/89/71/70/358897170.db2.gz PKQXHLZLISETOS-UHFFFAOYSA-N 1 2 285.347 1.672 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000346019114 358966526 /nfs/dbraw/zinc/96/65/26/358966526.db2.gz SXYQGPWCOUECQS-CYBMUJFWSA-N 1 2 283.416 1.751 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000338121759 358983090 /nfs/dbraw/zinc/98/30/90/358983090.db2.gz RBBTWNMSGJYQRM-UHFFFAOYSA-N 1 2 287.363 1.271 20 30 CDEDLO C=CC[N@@H+](C[C@@H](O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000264576137 359312611 /nfs/dbraw/zinc/31/26/11/359312611.db2.gz UDQGXOPJHQEZNX-LSDHHAIUSA-N 1 2 295.404 1.395 20 30 CDEDLO C=CC[N@H+](C[C@@H](O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000264576137 359312616 /nfs/dbraw/zinc/31/26/16/359312616.db2.gz UDQGXOPJHQEZNX-LSDHHAIUSA-N 1 2 295.404 1.395 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1sccc1C#N)C1CC1 ZINC000274114536 359493498 /nfs/dbraw/zinc/49/34/98/359493498.db2.gz FVJPEMFTJDQBBQ-UHFFFAOYSA-N 1 2 259.334 1.656 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1sccc1C#N)C1CC1 ZINC000274114536 359493504 /nfs/dbraw/zinc/49/35/04/359493504.db2.gz FVJPEMFTJDQBBQ-UHFFFAOYSA-N 1 2 259.334 1.656 20 30 CDEDLO C#CC[N@@H+](CC(=O)N1CCc2ccccc21)C1CC1 ZINC000274177416 359492588 /nfs/dbraw/zinc/49/25/88/359492588.db2.gz OJUYRDVQLGQWHL-UHFFFAOYSA-N 1 2 254.333 1.673 20 30 CDEDLO C#CC[N@H+](CC(=O)N1CCc2ccccc21)C1CC1 ZINC000274177416 359492592 /nfs/dbraw/zinc/49/25/92/359492592.db2.gz OJUYRDVQLGQWHL-UHFFFAOYSA-N 1 2 254.333 1.673 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)NCCCC)n1 ZINC000279752522 359593179 /nfs/dbraw/zinc/59/31/79/359593179.db2.gz QHYZYOHFDBCVBD-AWEZNQCLSA-N 1 2 290.411 1.643 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)NCCCC)n1 ZINC000279752522 359593184 /nfs/dbraw/zinc/59/31/84/359593184.db2.gz QHYZYOHFDBCVBD-AWEZNQCLSA-N 1 2 290.411 1.643 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)C[C@H](O)C(F)(F)F)n1 ZINC000279750861 359594692 /nfs/dbraw/zinc/59/46/92/359594692.db2.gz QCYYGIXMQHLDKU-NSHDSACASA-N 1 2 275.274 1.261 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)C[C@H](O)C(F)(F)F)n1 ZINC000279750861 359594695 /nfs/dbraw/zinc/59/46/95/359594695.db2.gz QCYYGIXMQHLDKU-NSHDSACASA-N 1 2 275.274 1.261 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1nc2ccccc2s1 ZINC000027405630 359721688 /nfs/dbraw/zinc/72/16/88/359721688.db2.gz COKOHKBRIVOXNL-NSHDSACASA-N 1 2 287.388 1.866 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000027405630 359721689 /nfs/dbraw/zinc/72/16/89/359721689.db2.gz COKOHKBRIVOXNL-NSHDSACASA-N 1 2 287.388 1.866 20 30 CDEDLO C=CC[N@@H+]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC000495958971 366574314 /nfs/dbraw/zinc/57/43/14/366574314.db2.gz GQTCBBHVAFFQKA-UHFFFAOYSA-N 1 2 268.357 1.494 20 30 CDEDLO C=CC[N@H+]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC000495958971 366574317 /nfs/dbraw/zinc/57/43/17/366574317.db2.gz GQTCBBHVAFFQKA-UHFFFAOYSA-N 1 2 268.357 1.494 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000336802535 359845698 /nfs/dbraw/zinc/84/56/98/359845698.db2.gz UYWOEIRNYAJQHW-VHSXEESVSA-N 1 2 277.290 1.774 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000336802535 359845700 /nfs/dbraw/zinc/84/57/00/359845700.db2.gz UYWOEIRNYAJQHW-VHSXEESVSA-N 1 2 277.290 1.774 20 30 CDEDLO CC[C@@]1(C)C[N@H+](CC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000135670919 359867411 /nfs/dbraw/zinc/86/74/11/359867411.db2.gz JPIIUCRZPYLLDO-INIZCTEOSA-N 1 2 287.363 1.998 20 30 CDEDLO CC[C@@]1(C)C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000135670919 359867412 /nfs/dbraw/zinc/86/74/12/359867412.db2.gz JPIIUCRZPYLLDO-INIZCTEOSA-N 1 2 287.363 1.998 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N(C)Cc1ccc(F)cc1 ZINC000298107707 200335385 /nfs/dbraw/zinc/33/53/85/200335385.db2.gz JHVBDURTCYJQTL-UHFFFAOYSA-N 1 2 262.328 1.739 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N(C)Cc1ccc(F)cc1 ZINC000298107707 200335387 /nfs/dbraw/zinc/33/53/87/200335387.db2.gz JHVBDURTCYJQTL-UHFFFAOYSA-N 1 2 262.328 1.739 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)NCCC(C)C)C1=O ZINC000337237674 360049145 /nfs/dbraw/zinc/04/91/45/360049145.db2.gz YUDYFXVWFBNEJM-KBPBESRZSA-N 1 2 295.427 1.256 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)NCCC(C)C)C1=O ZINC000337237674 360049150 /nfs/dbraw/zinc/04/91/50/360049150.db2.gz YUDYFXVWFBNEJM-KBPBESRZSA-N 1 2 295.427 1.256 20 30 CDEDLO CCN1CC[N@H+](CCCC2(C#N)CCOCC2)CC1=O ZINC000337203906 360025247 /nfs/dbraw/zinc/02/52/47/360025247.db2.gz IHXPJCHWEGQUDK-UHFFFAOYSA-N 1 2 279.384 1.251 20 30 CDEDLO CCN1CC[N@@H+](CCCC2(C#N)CCOCC2)CC1=O ZINC000337203906 360025250 /nfs/dbraw/zinc/02/52/50/360025250.db2.gz IHXPJCHWEGQUDK-UHFFFAOYSA-N 1 2 279.384 1.251 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000337229379 360047485 /nfs/dbraw/zinc/04/74/85/360047485.db2.gz RUNXSUUXWKQAOI-LLVKDONJSA-N 1 2 286.734 1.404 20 30 CDEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](C(=O)OC)C2)cc1 ZINC000093081528 360289439 /nfs/dbraw/zinc/28/94/39/360289439.db2.gz JAQCOXLXUBWGDG-OAHLLOKOSA-N 1 2 291.347 1.625 20 30 CDEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](C(=O)OC)C2)cc1 ZINC000093081528 360289447 /nfs/dbraw/zinc/28/94/47/360289447.db2.gz JAQCOXLXUBWGDG-OAHLLOKOSA-N 1 2 291.347 1.625 20 30 CDEDLO C=CCCCC[N@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000515595160 360519139 /nfs/dbraw/zinc/51/91/39/360519139.db2.gz FASPVPVFRVBHBP-UHFFFAOYSA-N 1 2 262.357 1.425 20 30 CDEDLO C=CCCCC[N@@H+]1CCN(c2cnn(C)c2)C(=O)C1 ZINC000515595160 360519143 /nfs/dbraw/zinc/51/91/43/360519143.db2.gz FASPVPVFRVBHBP-UHFFFAOYSA-N 1 2 262.357 1.425 20 30 CDEDLO C[C@@H](NC(=O)NCC1(CC#N)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000430583316 360935736 /nfs/dbraw/zinc/93/57/36/360935736.db2.gz XSAWSCGRIIZLHX-OLZOCXBDSA-N 1 2 294.399 1.089 20 30 CDEDLO CC[N@@H+](CC(=O)NCc1cccc(OC)c1)C[C@@H](C)C#N ZINC000157641947 360941250 /nfs/dbraw/zinc/94/12/50/360941250.db2.gz CDUNUGQQFIAKNG-ZDUSSCGKSA-N 1 2 289.379 1.793 20 30 CDEDLO CC[N@H+](CC(=O)NCc1cccc(OC)c1)C[C@@H](C)C#N ZINC000157641947 360941256 /nfs/dbraw/zinc/94/12/56/360941256.db2.gz CDUNUGQQFIAKNG-ZDUSSCGKSA-N 1 2 289.379 1.793 20 30 CDEDLO COCC[N@H+](CCO)Cc1ccc(F)cc1C#N ZINC000134389721 360996433 /nfs/dbraw/zinc/99/64/33/360996433.db2.gz UTWWKJAYOPVSIM-UHFFFAOYSA-N 1 2 252.289 1.138 20 30 CDEDLO COCC[N@@H+](CCO)Cc1ccc(F)cc1C#N ZINC000134389721 360996438 /nfs/dbraw/zinc/99/64/38/360996438.db2.gz UTWWKJAYOPVSIM-UHFFFAOYSA-N 1 2 252.289 1.138 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000366154752 361043419 /nfs/dbraw/zinc/04/34/19/361043419.db2.gz CHKDQTDZVTXQBN-CQSZACIVSA-N 1 2 258.321 1.865 20 30 CDEDLO CC[C@H](C#N)NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000582190242 361064386 /nfs/dbraw/zinc/06/43/86/361064386.db2.gz OEWILNMBMMVGKO-BDAKNGLRSA-N 1 2 288.273 1.874 20 30 CDEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C[C@@H](C)O1 ZINC000247488096 361115822 /nfs/dbraw/zinc/11/58/22/361115822.db2.gz GNBSRWPZYYULAQ-FRRDWIJNSA-N 1 2 267.373 1.246 20 30 CDEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C[C@@H](C)O1 ZINC000247488096 361115827 /nfs/dbraw/zinc/11/58/27/361115827.db2.gz GNBSRWPZYYULAQ-FRRDWIJNSA-N 1 2 267.373 1.246 20 30 CDEDLO C[C@H]1C[N@H+](CCOc2ccccc2C#N)C[C@H](CO)O1 ZINC000191718169 361269128 /nfs/dbraw/zinc/26/91/28/361269128.db2.gz NKMRXWJFNTXQCA-GXTWGEPZSA-N 1 2 276.336 1.019 20 30 CDEDLO C[C@H]1C[N@@H+](CCOc2ccccc2C#N)C[C@H](CO)O1 ZINC000191718169 361269131 /nfs/dbraw/zinc/26/91/31/361269131.db2.gz NKMRXWJFNTXQCA-GXTWGEPZSA-N 1 2 276.336 1.019 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000645769927 361355374 /nfs/dbraw/zinc/35/53/74/361355374.db2.gz JOZVLYCAOSSJOM-ZDUSSCGKSA-N 1 2 266.385 1.522 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccnc(C2CC2)c1 ZINC000329346541 361485281 /nfs/dbraw/zinc/48/52/81/361485281.db2.gz VFTRKHPYOSUCCX-LBPRGKRZSA-N 1 2 289.379 1.984 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(N2CCCC2)nc[nH+]1 ZINC000562701897 361722568 /nfs/dbraw/zinc/72/25/68/361722568.db2.gz HXONIGMZOXPRRI-NEPJUHHUSA-N 1 2 260.341 1.832 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(N2CCCC2)[nH+]cn1 ZINC000562701897 361722573 /nfs/dbraw/zinc/72/25/73/361722573.db2.gz HXONIGMZOXPRRI-NEPJUHHUSA-N 1 2 260.341 1.832 20 30 CDEDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000361372076 363983081 /nfs/dbraw/zinc/98/30/81/363983081.db2.gz KVLKCZUSBBPQOK-GFCCVEGCSA-N 1 2 293.754 1.871 20 30 CDEDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000361372076 363983085 /nfs/dbraw/zinc/98/30/85/363983085.db2.gz KVLKCZUSBBPQOK-GFCCVEGCSA-N 1 2 293.754 1.871 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)NCCCCC)nn1 ZINC000640903800 364728118 /nfs/dbraw/zinc/72/81/18/364728118.db2.gz PGHQZEMGNDLCLJ-ZDUSSCGKSA-N 1 2 291.399 1.258 20 30 CDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCC(F)(F)F ZINC000268350610 364749898 /nfs/dbraw/zinc/74/98/98/364749898.db2.gz RJCJFJVNVSEMML-SNVBAGLBSA-N 1 2 299.300 1.811 20 30 CDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCC(F)(F)F ZINC000268350610 364749904 /nfs/dbraw/zinc/74/99/04/364749904.db2.gz RJCJFJVNVSEMML-SNVBAGLBSA-N 1 2 299.300 1.811 20 30 CDEDLO Cn1cc(C#N)cc1C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367083875 364777510 /nfs/dbraw/zinc/77/75/10/364777510.db2.gz JMUVHUZMKPLECQ-CQSZACIVSA-N 1 2 295.346 1.078 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc3c(c2)OCCO3)nn1 ZINC000641004862 364819204 /nfs/dbraw/zinc/81/92/04/364819204.db2.gz QLZYOYNJDHEDGQ-UHFFFAOYSA-N 1 2 298.346 1.211 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2ccncc2)nn1 ZINC000641034738 364864257 /nfs/dbraw/zinc/86/42/57/364864257.db2.gz WWJUTDMGFYBIEW-GFCCVEGCSA-N 1 2 255.325 1.395 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCc2scnc2C)nn1 ZINC000641146604 365107723 /nfs/dbraw/zinc/10/77/23/365107723.db2.gz BPOZVVQZNGPAKX-UHFFFAOYSA-N 1 2 275.381 1.399 20 30 CDEDLO N#CCCCCNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000171544022 365309926 /nfs/dbraw/zinc/30/99/26/365309926.db2.gz ZHISOEQPIFXKMT-ZDUSSCGKSA-N 1 2 289.383 1.791 20 30 CDEDLO N#CCCCCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000171544022 365309932 /nfs/dbraw/zinc/30/99/32/365309932.db2.gz ZHISOEQPIFXKMT-ZDUSSCGKSA-N 1 2 289.383 1.791 20 30 CDEDLO N#C[C@]1(NC(=O)c2cccc(-n3cc[nH+]c3)c2)CCOC1 ZINC000358455711 367695968 /nfs/dbraw/zinc/69/59/68/367695968.db2.gz DIZRGMIUFGIZKK-OAHLLOKOSA-N 1 2 282.303 1.285 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Nc2cccc(OC)c2)CC1 ZINC000126696009 368313001 /nfs/dbraw/zinc/31/30/01/368313001.db2.gz GTNJUJAMUXZZOX-UHFFFAOYSA-N 1 2 273.336 1.478 20 30 CDEDLO C#CC[N@@H+](Cc1cc(C)ccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000066537628 368354978 /nfs/dbraw/zinc/35/49/78/368354978.db2.gz IMNAUENHCUPIAD-MRXNPFEDSA-N 1 2 291.416 1.926 20 30 CDEDLO C#CC[N@H+](Cc1cc(C)ccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000066537628 368354981 /nfs/dbraw/zinc/35/49/81/368354981.db2.gz IMNAUENHCUPIAD-MRXNPFEDSA-N 1 2 291.416 1.926 20 30 CDEDLO C=CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000276069989 193203726 /nfs/dbraw/zinc/20/37/26/193203726.db2.gz UOXUAKBOPJVBRB-AWEZNQCLSA-N 1 2 288.395 1.866 20 30 CDEDLO C=CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000276069989 193203727 /nfs/dbraw/zinc/20/37/27/193203727.db2.gz UOXUAKBOPJVBRB-AWEZNQCLSA-N 1 2 288.395 1.866 20 30 CDEDLO C#CCN(CC#C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000075391974 369409848 /nfs/dbraw/zinc/40/98/48/369409848.db2.gz VWHAISQKXOSGRO-UHFFFAOYSA-N 1 2 263.300 1.581 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000577539557 317352843 /nfs/dbraw/zinc/35/28/43/317352843.db2.gz XCPUZHSMRGNZGJ-SMDDNHRTSA-N 1 2 280.755 1.387 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000577539557 317352847 /nfs/dbraw/zinc/35/28/47/317352847.db2.gz XCPUZHSMRGNZGJ-SMDDNHRTSA-N 1 2 280.755 1.387 20 30 CDEDLO CCS(=O)(=O)C1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000565044198 370337655 /nfs/dbraw/zinc/33/76/55/370337655.db2.gz NRSWKNBWUZZOND-LLVKDONJSA-N 1 2 258.387 1.578 20 30 CDEDLO C=CCN1CC[C@@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1=O ZINC000567902723 371187064 /nfs/dbraw/zinc/18/70/64/371187064.db2.gz XRIVLIZIUSQVJN-QWHCGFSZSA-N 1 2 290.367 1.080 20 30 CDEDLO C#CCN1C(=O)c2ccccc2N[C@H]1c1c[nH+]cn1C ZINC000159049430 371220134 /nfs/dbraw/zinc/22/01/34/371220134.db2.gz NLZIUIHNMCDMCH-CQSZACIVSA-N 1 2 266.304 1.620 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CCc2ccccc2C1 ZINC000568888829 371233432 /nfs/dbraw/zinc/23/34/32/371233432.db2.gz FUVXLZJWVIFARN-DOTOQJQBSA-N 1 2 285.391 1.752 20 30 CDEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC1(C#N)CCC1 ZINC000573773470 371652820 /nfs/dbraw/zinc/65/28/20/371652820.db2.gz RKNBFQQTPQUMTO-AGIUHOORSA-N 1 2 262.353 1.954 20 30 CDEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC1(C#N)CCC1 ZINC000573773470 371652825 /nfs/dbraw/zinc/65/28/25/371652825.db2.gz RKNBFQQTPQUMTO-AGIUHOORSA-N 1 2 262.353 1.954 20 30 CDEDLO CC#CCN1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000175444033 372668633 /nfs/dbraw/zinc/66/86/33/372668633.db2.gz LNNAYTZIUGCSLI-UHFFFAOYSA-N 1 2 288.391 1.845 20 30 CDEDLO Cc1c([C@H](C)[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cnn1C ZINC000348015203 372798133 /nfs/dbraw/zinc/79/81/33/372798133.db2.gz TVGOIBFXBQUCGY-ZUZCIYMTSA-N 1 2 297.362 1.477 20 30 CDEDLO Cc1cc(-n2cc[nH+]c2)ccc1CN1CCOC[C@H]1C#N ZINC000192111419 373591180 /nfs/dbraw/zinc/59/11/80/373591180.db2.gz XVJCBKWOTVBLNI-MRXNPFEDSA-N 1 2 282.347 1.905 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]([C@H](C)C(=O)OC)C1CCC1 ZINC000192381559 373600778 /nfs/dbraw/zinc/60/07/78/373600778.db2.gz QNPRKZOABLQVRS-GFCCVEGCSA-N 1 2 295.383 1.165 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]([C@H](C)C(=O)OC)C1CCC1 ZINC000192381559 373600781 /nfs/dbraw/zinc/60/07/81/373600781.db2.gz QNPRKZOABLQVRS-GFCCVEGCSA-N 1 2 295.383 1.165 20 30 CDEDLO C=CCOc1cccnc1C(=O)NCCn1cc[nH+]c1 ZINC000341420544 373680113 /nfs/dbraw/zinc/68/01/13/373680113.db2.gz NBYOXXDVBNTUER-UHFFFAOYSA-N 1 2 272.308 1.273 20 30 CDEDLO Cc1ccnc(N2CC[NH+](Cc3cccnc3)CC2)c1C#N ZINC000273301798 373749774 /nfs/dbraw/zinc/74/97/74/373749774.db2.gz HAYDMRMHECYHAR-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1nncn1C ZINC000299553215 373914186 /nfs/dbraw/zinc/91/41/86/373914186.db2.gz CVNJSTOWQGZKNY-LLVKDONJSA-N 1 2 255.325 1.880 20 30 CDEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1nncn1C ZINC000299553215 373914190 /nfs/dbraw/zinc/91/41/90/373914190.db2.gz CVNJSTOWQGZKNY-LLVKDONJSA-N 1 2 255.325 1.880 20 30 CDEDLO C[C@H](C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)c1cccc(C#N)c1 ZINC000360378346 374013705 /nfs/dbraw/zinc/01/37/05/374013705.db2.gz QFNZTQGBZURYJB-VBNZEHGJSA-N 1 2 299.374 1.203 20 30 CDEDLO C[C@H](C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)c1cccc(C#N)c1 ZINC000360378346 374013714 /nfs/dbraw/zinc/01/37/14/374013714.db2.gz QFNZTQGBZURYJB-VBNZEHGJSA-N 1 2 299.374 1.203 20 30 CDEDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000361361619 374039935 /nfs/dbraw/zinc/03/99/35/374039935.db2.gz JHVCSNZNKYAQMW-LLVKDONJSA-N 1 2 277.324 1.427 20 30 CDEDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000361361619 374039940 /nfs/dbraw/zinc/03/99/40/374039940.db2.gz JHVCSNZNKYAQMW-LLVKDONJSA-N 1 2 277.324 1.427 20 30 CDEDLO CC(=O)N1CC[NH+](CCNc2cccc(F)c2C#N)CC1 ZINC000052129274 374125912 /nfs/dbraw/zinc/12/59/12/374125912.db2.gz XTQUZUBKIDBJLG-UHFFFAOYSA-N 1 2 290.342 1.273 20 30 CDEDLO CC(C)(CNc1ncc(C#N)cc1F)[NH+]1CCOCC1 ZINC000413028632 374203380 /nfs/dbraw/zinc/20/33/80/374203380.db2.gz QCLATGNMIAWLET-UHFFFAOYSA-N 1 2 278.331 1.615 20 30 CDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc[nH]n3)C2)nc1 ZINC000292820451 374310607 /nfs/dbraw/zinc/31/06/07/374310607.db2.gz PUWSBPYJDPDTJG-CYBMUJFWSA-N 1 2 269.308 1.330 20 30 CDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc[nH]n3)C2)nc1 ZINC000292820451 374310614 /nfs/dbraw/zinc/31/06/14/374310614.db2.gz PUWSBPYJDPDTJG-CYBMUJFWSA-N 1 2 269.308 1.330 20 30 CDEDLO COc1ccnc(C[NH2+]Cc2cc(C#N)cs2)n1 ZINC000424193188 246379968 /nfs/dbraw/zinc/37/99/68/246379968.db2.gz UCRZUZOUCUPJCE-UHFFFAOYSA-N 1 2 260.322 1.708 20 30 CDEDLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000276811910 374751104 /nfs/dbraw/zinc/75/11/04/374751104.db2.gz YAHIATSGFKLUCB-BXUZGUMPSA-N 1 2 275.352 1.670 20 30 CDEDLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000276811910 374751113 /nfs/dbraw/zinc/75/11/13/374751113.db2.gz YAHIATSGFKLUCB-BXUZGUMPSA-N 1 2 275.352 1.670 20 30 CDEDLO C=CCNC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000125416511 374933356 /nfs/dbraw/zinc/93/33/56/374933356.db2.gz SYNHGGJWPZXVOL-LBPRGKRZSA-N 1 2 260.341 1.536 20 30 CDEDLO CC[N@H+](Cc1cn2ccccc2c1C#N)[C@@H]1CCNC1=O ZINC000282426795 375084369 /nfs/dbraw/zinc/08/43/69/375084369.db2.gz RCTJMQFYOXEQNQ-OAHLLOKOSA-N 1 2 282.347 1.521 20 30 CDEDLO CC[N@@H+](Cc1cn2ccccc2c1C#N)[C@@H]1CCNC1=O ZINC000282426795 375084372 /nfs/dbraw/zinc/08/43/72/375084372.db2.gz RCTJMQFYOXEQNQ-OAHLLOKOSA-N 1 2 282.347 1.521 20 30 CDEDLO Cc1ccoc1C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000471813912 375056211 /nfs/dbraw/zinc/05/62/11/375056211.db2.gz ZMOXORNYFKBEDI-UHFFFAOYSA-N 1 2 299.378 1.824 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(C#N)cc1 ZINC000047028587 375176357 /nfs/dbraw/zinc/17/63/57/375176357.db2.gz ZGCLITCJWNZYJB-LLVKDONJSA-N 1 2 269.308 1.965 20 30 CDEDLO CC(C)[N@H+](CCS(C)(=O)=O)Cc1ccc(C#N)s1 ZINC000131690213 375315316 /nfs/dbraw/zinc/31/53/16/375315316.db2.gz RPCVSJQQOWVNGO-UHFFFAOYSA-N 1 2 286.422 1.875 20 30 CDEDLO CC(C)[N@@H+](CCS(C)(=O)=O)Cc1ccc(C#N)s1 ZINC000131690213 375315320 /nfs/dbraw/zinc/31/53/20/375315320.db2.gz RPCVSJQQOWVNGO-UHFFFAOYSA-N 1 2 286.422 1.875 20 30 CDEDLO CC[N@@H+](Cc1cc(=O)n2ccccc2n1)C[C@@H](C)C#N ZINC000049000607 375389890 /nfs/dbraw/zinc/38/98/90/375389890.db2.gz UODPUFQJVDOXTL-LBPRGKRZSA-N 1 2 270.336 1.676 20 30 CDEDLO CC[N@H+](Cc1cc(=O)n2ccccc2n1)C[C@@H](C)C#N ZINC000049000607 375389893 /nfs/dbraw/zinc/38/98/93/375389893.db2.gz UODPUFQJVDOXTL-LBPRGKRZSA-N 1 2 270.336 1.676 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCNC(=O)CC2)c(Cl)c1 ZINC000162902617 375550060 /nfs/dbraw/zinc/55/00/60/375550060.db2.gz OSLXKZUYBHUODW-UHFFFAOYSA-N 1 2 263.728 1.534 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCNC(=O)CC2)c(Cl)c1 ZINC000162902617 375550065 /nfs/dbraw/zinc/55/00/65/375550065.db2.gz OSLXKZUYBHUODW-UHFFFAOYSA-N 1 2 263.728 1.534 20 30 CDEDLO N#CC1CCN(C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000057990810 375626562 /nfs/dbraw/zinc/62/65/62/375626562.db2.gz VCEPDTUBLHNHAQ-UHFFFAOYSA-N 1 2 297.362 1.822 20 30 CDEDLO Cc1cc(N2CC(OC(=O)NC(C)C)C2)c(C#N)c[nH+]1 ZINC000496351953 375738864 /nfs/dbraw/zinc/73/88/64/375738864.db2.gz XTBKDVPFLBODQK-UHFFFAOYSA-N 1 2 274.324 1.585 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000123014459 375820864 /nfs/dbraw/zinc/82/08/64/375820864.db2.gz ICMRRRIAIYBEHQ-UHFFFAOYSA-N 1 2 297.399 1.231 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000123014459 375820874 /nfs/dbraw/zinc/82/08/74/375820874.db2.gz ICMRRRIAIYBEHQ-UHFFFAOYSA-N 1 2 297.399 1.231 20 30 CDEDLO CN(C(=O)C[N@H+](C)[C@H]1CCNC1=O)C1(C#N)CCCCC1 ZINC000328807215 375958928 /nfs/dbraw/zinc/95/89/28/375958928.db2.gz CQZAEBIAXPNTQR-LBPRGKRZSA-N 1 2 292.383 1.332 20 30 CDEDLO CN(C(=O)C[N@@H+](C)[C@H]1CCNC1=O)C1(C#N)CCCCC1 ZINC000328807215 375958936 /nfs/dbraw/zinc/95/89/36/375958936.db2.gz CQZAEBIAXPNTQR-LBPRGKRZSA-N 1 2 292.383 1.332 20 30 CDEDLO O=C(N[C@@H]1CCO[C@H]1C1CC1)N1CCn2cc[nH+]c2C1 ZINC000328814389 375962279 /nfs/dbraw/zinc/96/22/79/375962279.db2.gz CCBIIHUXZPDMQN-YPMHNXCESA-N 1 2 276.340 1.180 20 30 CDEDLO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CCOC[C@H](C)C1 ZINC000328683057 375927196 /nfs/dbraw/zinc/92/71/96/375927196.db2.gz PATIRZWVFUSPEO-GHMZBOCLSA-N 1 2 264.329 1.421 20 30 CDEDLO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCOC[C@H](C)C1 ZINC000328683057 375927200 /nfs/dbraw/zinc/92/72/00/375927200.db2.gz PATIRZWVFUSPEO-GHMZBOCLSA-N 1 2 264.329 1.421 20 30 CDEDLO O=C(NCc1nc2cccnc2[nH]1)[C@H]1CCn2cc[nH+]c2C1 ZINC000328747575 375942537 /nfs/dbraw/zinc/94/25/37/375942537.db2.gz LRXZCFRNFQUVJW-JTQLQIEISA-N 1 2 296.334 1.874 20 30 CDEDLO CC(C)n1cnnc1CNC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000328894522 376004230 /nfs/dbraw/zinc/00/42/30/376004230.db2.gz AVBQDXNFUNDZLL-LLVKDONJSA-N 1 2 297.428 1.753 20 30 CDEDLO C[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000328934429 376014340 /nfs/dbraw/zinc/01/43/40/376014340.db2.gz QADBJUYAZMNZQE-SBMIAAHKSA-N 1 2 276.340 1.979 20 30 CDEDLO C[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000328934429 376014352 /nfs/dbraw/zinc/01/43/52/376014352.db2.gz QADBJUYAZMNZQE-SBMIAAHKSA-N 1 2 276.340 1.979 20 30 CDEDLO CCc1noc([C@H](C)[N@H+](C)CCNC(=O)N(C)C)n1 ZINC000330628046 376296068 /nfs/dbraw/zinc/29/60/68/376296068.db2.gz YDANXNOQMBKSEE-VIFPVBQESA-N 1 2 269.349 1.100 20 30 CDEDLO CCc1noc([C@H](C)[N@@H+](C)CCNC(=O)N(C)C)n1 ZINC000330628046 376296071 /nfs/dbraw/zinc/29/60/71/376296071.db2.gz YDANXNOQMBKSEE-VIFPVBQESA-N 1 2 269.349 1.100 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)C[C@H](CC)O1 ZINC000420959242 376512033 /nfs/dbraw/zinc/51/20/33/376512033.db2.gz QCYUKTJQYNJITH-KFWWJZLASA-N 1 2 295.427 1.884 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N(CC)C[C@H](C)C#N)C[C@H](CC)O1 ZINC000420959242 376512043 /nfs/dbraw/zinc/51/20/43/376512043.db2.gz QCYUKTJQYNJITH-KFWWJZLASA-N 1 2 295.427 1.884 20 30 CDEDLO CC[N@H+]1CCO[C@@H](C(=O)Nc2n[nH]c(C(F)(F)F)n2)C1 ZINC000073028432 376825324 /nfs/dbraw/zinc/82/53/24/376825324.db2.gz ABPGOXMSOJYXFI-ZCFIWIBFSA-N 1 2 293.249 1.132 20 30 CDEDLO C#CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000160701431 377092961 /nfs/dbraw/zinc/09/29/61/377092961.db2.gz JBIPCKRRZIIWFE-KGLIPLIRSA-N 1 2 293.317 1.642 20 30 CDEDLO C#CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000160701431 377092971 /nfs/dbraw/zinc/09/29/71/377092971.db2.gz JBIPCKRRZIIWFE-KGLIPLIRSA-N 1 2 293.317 1.642 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000190158432 377754781 /nfs/dbraw/zinc/75/47/81/377754781.db2.gz NFQWNWXOHIVWED-TYNCELHUSA-N 1 2 260.337 1.701 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000190158432 377754787 /nfs/dbraw/zinc/75/47/87/377754787.db2.gz NFQWNWXOHIVWED-TYNCELHUSA-N 1 2 260.337 1.701 20 30 CDEDLO CS[C@H](C)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000161830928 377772627 /nfs/dbraw/zinc/77/26/27/377772627.db2.gz KHAFXFAUQKQQGT-CYBMUJFWSA-N 1 2 299.440 1.202 20 30 CDEDLO C=CCC(CC=C)C(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000133350098 377889344 /nfs/dbraw/zinc/88/93/44/377889344.db2.gz VLOPKUTZGUGUCX-CQSZACIVSA-N 1 2 279.428 1.507 20 30 CDEDLO C#CC[N@H+](C)CCCS(=O)(=O)c1ccc(C)cc1 ZINC000192237237 378176508 /nfs/dbraw/zinc/17/65/08/378176508.db2.gz JOPONNCGHFXJIC-UHFFFAOYSA-N 1 2 265.378 1.724 20 30 CDEDLO C#CC[N@@H+](C)CCCS(=O)(=O)c1ccc(C)cc1 ZINC000192237237 378176514 /nfs/dbraw/zinc/17/65/14/378176514.db2.gz JOPONNCGHFXJIC-UHFFFAOYSA-N 1 2 265.378 1.724 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CCO[C@H](CNC(C)=O)C2)cc1 ZINC000290158278 378364570 /nfs/dbraw/zinc/36/45/70/378364570.db2.gz XFLIUMHKMRRINU-MRXNPFEDSA-N 1 2 272.348 1.005 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CCO[C@H](CNC(C)=O)C2)cc1 ZINC000290158278 378364576 /nfs/dbraw/zinc/36/45/76/378364576.db2.gz XFLIUMHKMRRINU-MRXNPFEDSA-N 1 2 272.348 1.005 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000290480693 378380418 /nfs/dbraw/zinc/38/04/18/378380418.db2.gz NSRQXDZPBSWLNL-SMDDNHRTSA-N 1 2 263.341 1.443 20 30 CDEDLO CCc1noc([C@H](C)N2CC[NH+](CCCC#N)CC2)n1 ZINC000105865162 378471740 /nfs/dbraw/zinc/47/17/40/378471740.db2.gz GMAJMQUDHSTNHI-LBPRGKRZSA-N 1 2 277.372 1.614 20 30 CDEDLO CC#CCN(C)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000293553053 378573234 /nfs/dbraw/zinc/57/32/34/378573234.db2.gz UNQDVAYOTGEWDD-UHFFFAOYSA-N 1 2 259.309 1.119 20 30 CDEDLO N#CCCN(CCC#N)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000366834204 378933280 /nfs/dbraw/zinc/93/32/80/378933280.db2.gz LHOHZYYJFMFLQS-LLVKDONJSA-N 1 2 271.324 1.486 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343557006 378908058 /nfs/dbraw/zinc/90/80/58/378908058.db2.gz RTDIIBUJDVDLLW-VXGBXAGGSA-N 1 2 293.323 1.426 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343557006 378908066 /nfs/dbraw/zinc/90/80/66/378908066.db2.gz RTDIIBUJDVDLLW-VXGBXAGGSA-N 1 2 293.323 1.426 20 30 CDEDLO CC[C@@H](O)C[NH+]1CCN(C(=O)c2sccc2C#N)CC1 ZINC000070006467 379328700 /nfs/dbraw/zinc/32/87/00/379328700.db2.gz JSLLBMCJYFRNDX-GFCCVEGCSA-N 1 2 293.392 1.148 20 30 CDEDLO COc1ccc(C[NH2+]CCC#N)c(OC)c1OC ZINC000020199362 171063208 /nfs/dbraw/zinc/06/32/08/171063208.db2.gz CGUHEVQTJQNVCD-UHFFFAOYSA-N 1 2 250.298 1.716 20 30 CDEDLO Cn1cc[nH+]c1CNc1ccn(-c2cccc(F)c2C#N)n1 ZINC000357712645 412995675 /nfs/dbraw/zinc/99/56/75/412995675.db2.gz BULAYXAVNVYMLI-UHFFFAOYSA-N 1 2 296.309 1.651 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000192223196 533112409 /nfs/dbraw/zinc/11/24/09/533112409.db2.gz HCBKDHVBQRHXHD-SNVBAGLBSA-N 1 2 291.307 1.495 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000192223196 533112410 /nfs/dbraw/zinc/11/24/10/533112410.db2.gz HCBKDHVBQRHXHD-SNVBAGLBSA-N 1 2 291.307 1.495 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)c2nc(C)cc(=O)[nH]2)C1=O ZINC000281482435 195258574 /nfs/dbraw/zinc/25/85/74/195258574.db2.gz WPHJZSODPNKGLN-VXGBXAGGSA-N 1 2 290.367 1.270 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)c2nc(C)cc(=O)[nH]2)C1=O ZINC000281482435 195258576 /nfs/dbraw/zinc/25/85/76/195258576.db2.gz WPHJZSODPNKGLN-VXGBXAGGSA-N 1 2 290.367 1.270 20 30 CDEDLO CCn1cc[nH+]c1/C=C/C(=O)N1CCSC[C@@H]1C#N ZINC000492369279 262207135 /nfs/dbraw/zinc/20/71/35/262207135.db2.gz VFYRYPACFYXJHO-UFFNRZRYSA-N 1 2 276.365 1.384 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000332507118 260015298 /nfs/dbraw/zinc/01/52/98/260015298.db2.gz WAMLZUCDHUVNKB-BZPMIXESSA-N 1 2 264.373 1.521 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N ZINC000332507118 260015299 /nfs/dbraw/zinc/01/52/99/260015299.db2.gz WAMLZUCDHUVNKB-BZPMIXESSA-N 1 2 264.373 1.521 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1[nH+]cnc2c1cnn2C ZINC000281700570 195343885 /nfs/dbraw/zinc/34/38/85/195343885.db2.gz HDDSENCYNHFNFF-ZYHUDNBSSA-N 1 2 273.340 1.756 20 30 CDEDLO CN1CC[N@H+](C)C[C@H]1c1noc(Cc2ccc(C#N)cc2)n1 ZINC000319380364 390461826 /nfs/dbraw/zinc/46/18/26/390461826.db2.gz ADWITXAVNBQIRR-AWEZNQCLSA-N 1 2 297.362 1.450 20 30 CDEDLO CN1CC[N@@H+](C)C[C@H]1c1noc(Cc2ccc(C#N)cc2)n1 ZINC000319380364 390461831 /nfs/dbraw/zinc/46/18/31/390461831.db2.gz ADWITXAVNBQIRR-AWEZNQCLSA-N 1 2 297.362 1.450 20 30 CDEDLO N#C[C@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCO1 ZINC000106047711 390527348 /nfs/dbraw/zinc/52/73/48/390527348.db2.gz WXYGKXUCULNSNM-HNNXBMFYSA-N 1 2 296.330 1.296 20 30 CDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cccc(F)c1F ZINC000112335589 390686009 /nfs/dbraw/zinc/68/60/09/390686009.db2.gz GQTAMEGOAZBDFH-UHFFFAOYSA-N 1 2 285.294 1.668 20 30 CDEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1snnc1C1CC1 ZINC000329573739 391018787 /nfs/dbraw/zinc/01/87/87/391018787.db2.gz NMKWVGXKHRTZRK-SECBINFHSA-N 1 2 289.364 1.932 20 30 CDEDLO Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1CN(C)CCO1)C2 ZINC000329512015 391001424 /nfs/dbraw/zinc/00/14/24/391001424.db2.gz KWLSAOJAUCJASJ-GXTWGEPZSA-N 1 2 292.383 1.041 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc2c(c1)CCC2 ZINC000414162283 391115463 /nfs/dbraw/zinc/11/54/63/391115463.db2.gz LLYSUDBNTRVERR-OAHLLOKOSA-N 1 2 274.364 1.760 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc2c(c1)CCC2 ZINC000414162283 391115467 /nfs/dbraw/zinc/11/54/67/391115467.db2.gz LLYSUDBNTRVERR-OAHLLOKOSA-N 1 2 274.364 1.760 20 30 CDEDLO N#CC1(F)CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000352457444 391145592 /nfs/dbraw/zinc/14/55/92/391145592.db2.gz DAZYPABULSFOCX-UHFFFAOYSA-N 1 2 292.339 1.584 20 30 CDEDLO C#C[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)C(C)C ZINC000374197956 391153314 /nfs/dbraw/zinc/15/33/14/391153314.db2.gz IBNGCTSQZYEXNB-STQMWFEESA-N 1 2 274.368 1.577 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352490026 391156029 /nfs/dbraw/zinc/15/60/29/391156029.db2.gz FWUKSICNWKRYSO-ZDUSSCGKSA-N 1 2 280.347 1.369 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCc2nc(C)no2)cc1OC ZINC000266302469 391173692 /nfs/dbraw/zinc/17/36/92/391173692.db2.gz OELMBYKLIJHZHB-UHFFFAOYSA-N 1 2 292.295 1.232 20 30 CDEDLO CCNC(=O)C(C)(C)C/[NH+]=C/c1cccc(O)c1O ZINC000269466198 391249758 /nfs/dbraw/zinc/24/97/58/391249758.db2.gz SXSPLTBVZWZSDZ-OVCLIPMQSA-N 1 2 264.325 1.679 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCCc1[nH]cc[nH+]1)OCC ZINC000339370284 391291068 /nfs/dbraw/zinc/29/10/68/391291068.db2.gz VRPUHRMOXSRRRV-LLVKDONJSA-N 1 2 251.330 1.440 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCCCC#N)C1CC1 ZINC000345959832 391324547 /nfs/dbraw/zinc/32/45/47/391324547.db2.gz ZMEBNFSTYYGYEW-NSHDSACASA-N 1 2 261.329 1.474 20 30 CDEDLO CC[N@@H+](CC(=O)NCc1cccnc1)C[C@H](C)C#N ZINC000346348505 391346659 /nfs/dbraw/zinc/34/66/59/391346659.db2.gz OCJMTFWALQKRDF-GFCCVEGCSA-N 1 2 260.341 1.179 20 30 CDEDLO CC[N@H+](CC(=O)NCc1cccnc1)C[C@H](C)C#N ZINC000346348505 391346661 /nfs/dbraw/zinc/34/66/61/391346661.db2.gz OCJMTFWALQKRDF-GFCCVEGCSA-N 1 2 260.341 1.179 20 30 CDEDLO C#CC[NH+]1CCN(c2nc3cc(F)ccc3o2)CC1 ZINC000114446989 391382041 /nfs/dbraw/zinc/38/20/41/391382041.db2.gz DMCZRSBHFYGOJV-UHFFFAOYSA-N 1 2 259.284 1.722 20 30 CDEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCc2c[nH]nc2C1 ZINC000328914541 391392924 /nfs/dbraw/zinc/39/29/24/391392924.db2.gz IYIBTTZRROJNDT-GXSJLCMTSA-N 1 2 285.351 1.752 20 30 CDEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCc2c[nH]nc2C1 ZINC000328914541 391392927 /nfs/dbraw/zinc/39/29/27/391392927.db2.gz IYIBTTZRROJNDT-GXSJLCMTSA-N 1 2 285.351 1.752 20 30 CDEDLO Cc1ccc2[nH+]c(CNC(=O)[C@@H]3COCCN3C)cn2c1 ZINC000328961184 391399370 /nfs/dbraw/zinc/39/93/70/391399370.db2.gz QNOPDAZKAIYLGD-ZDUSSCGKSA-N 1 2 288.351 1.430 20 30 CDEDLO Cc1cc(=NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)[nH]n1CCC#N ZINC000330571863 391449778 /nfs/dbraw/zinc/44/97/78/391449778.db2.gz FYORDUIYRPOXEL-RYUDHWBXSA-N 1 2 289.383 1.338 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000355347329 391450836 /nfs/dbraw/zinc/45/08/36/391450836.db2.gz MLUFPIOKJPQTRN-IUODEOHRSA-N 1 2 277.368 1.512 20 30 CDEDLO CC(C)(C(=O)N1CCC(F)(C#N)CC1)c1c[nH+]c[nH]1 ZINC000359364113 391591777 /nfs/dbraw/zinc/59/17/77/391591777.db2.gz RONKAWIOCNOLRV-UHFFFAOYSA-N 1 2 264.304 1.542 20 30 CDEDLO C=CCCS(=O)(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000360188745 391646390 /nfs/dbraw/zinc/64/63/90/391646390.db2.gz IJXIBIQECODERZ-UHFFFAOYSA-N 1 2 293.392 1.840 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@H]1CCCC1(C)C)C(=O)OC ZINC000361105450 391681929 /nfs/dbraw/zinc/68/19/29/391681929.db2.gz BSYSIMJLYALJTP-NEPJUHHUSA-N 1 2 255.358 1.899 20 30 CDEDLO C[C@@H](Nc1nccc(C#N)c1Cl)[C@@H](C)[NH+]1CCOCC1 ZINC000342006096 130193195 /nfs/dbraw/zinc/19/31/95/130193195.db2.gz KOTHYJCBFUBPLH-GHMZBOCLSA-N 1 2 294.786 1.550 20 30 CDEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191366558 130227967 /nfs/dbraw/zinc/22/79/67/130227967.db2.gz OYGYSOPCXRWNNT-QWRGUYRKSA-N 1 2 283.397 1.150 20 30 CDEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191366558 130227969 /nfs/dbraw/zinc/22/79/69/130227969.db2.gz OYGYSOPCXRWNNT-QWRGUYRKSA-N 1 2 283.397 1.150 20 30 CDEDLO CC1(CCNC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000329931452 391801571 /nfs/dbraw/zinc/80/15/71/391801571.db2.gz IFZAPCUFEKXFHD-NSHDSACASA-N 1 2 262.357 1.892 20 30 CDEDLO CC1(CC[NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000329931452 391801575 /nfs/dbraw/zinc/80/15/75/391801575.db2.gz IFZAPCUFEKXFHD-NSHDSACASA-N 1 2 262.357 1.892 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)NC[C@@H]1CCCO1)CCO2 ZINC000329920055 391799805 /nfs/dbraw/zinc/79/98/05/391799805.db2.gz DSCSZTBMUQFTFX-YDHLFZDLSA-N 1 2 298.383 1.002 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)NC[C@@H]1CCCO1)CCO2 ZINC000329920055 391799808 /nfs/dbraw/zinc/79/98/08/391799808.db2.gz DSCSZTBMUQFTFX-YDHLFZDLSA-N 1 2 298.383 1.002 20 30 CDEDLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000646032722 391920070 /nfs/dbraw/zinc/92/00/70/391920070.db2.gz ZBBFHADYCVTXDX-MEDUHNTESA-N 1 2 298.346 1.485 20 30 CDEDLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000646032722 391920076 /nfs/dbraw/zinc/92/00/76/391920076.db2.gz ZBBFHADYCVTXDX-MEDUHNTESA-N 1 2 298.346 1.485 20 30 CDEDLO CC#CC[C@@H](CO)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000646397311 392409195 /nfs/dbraw/zinc/40/91/95/392409195.db2.gz KUGZNZVQJJAIRK-LBPRGKRZSA-N 1 2 261.325 1.594 20 30 CDEDLO C[N@@H+]1CCO[C@@H]2CN(Cc3cccc(F)c3C#N)C[C@@H]21 ZINC000411832476 392815965 /nfs/dbraw/zinc/81/59/65/392815965.db2.gz ZBCBBSFRZAERPO-LSDHHAIUSA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@H+]1CCO[C@@H]2CN(Cc3cccc(F)c3C#N)C[C@@H]21 ZINC000411832476 392815969 /nfs/dbraw/zinc/81/59/69/392815969.db2.gz ZBCBBSFRZAERPO-LSDHHAIUSA-N 1 2 275.327 1.212 20 30 CDEDLO CC[N@H+](CCO)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000269390858 132163883 /nfs/dbraw/zinc/16/38/83/132163883.db2.gz AEODHTKDUHMAEC-ZDUSSCGKSA-N 1 2 262.309 1.087 20 30 CDEDLO CC[N@@H+](CCO)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000269390858 132163885 /nfs/dbraw/zinc/16/38/85/132163885.db2.gz AEODHTKDUHMAEC-ZDUSSCGKSA-N 1 2 262.309 1.087 20 30 CDEDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000371186142 392972212 /nfs/dbraw/zinc/97/22/12/392972212.db2.gz WBJXQGAMOWKHBN-SNVBAGLBSA-N 1 2 261.300 1.408 20 30 CDEDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000371186142 392972220 /nfs/dbraw/zinc/97/22/20/392972220.db2.gz WBJXQGAMOWKHBN-SNVBAGLBSA-N 1 2 261.300 1.408 20 30 CDEDLO Cc1cc(NCCCC(=O)OC(C)C)c(C#N)c[nH+]1 ZINC000425237068 392999226 /nfs/dbraw/zinc/99/92/26/392999226.db2.gz GMZHFWZWTQGAGW-UHFFFAOYSA-N 1 2 261.325 1.827 20 30 CDEDLO Cc1cc(NC[C@H](O)Cc2cccc(F)c2)c(C#N)c[nH+]1 ZINC000425271624 393012556 /nfs/dbraw/zinc/01/25/56/393012556.db2.gz VOZLRWPODCLVHR-OAHLLOKOSA-N 1 2 285.322 1.838 20 30 CDEDLO CC1(O)CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000331007548 393146004 /nfs/dbraw/zinc/14/60/04/393146004.db2.gz XZRHCHBDPJUYFH-CYBMUJFWSA-N 1 2 273.336 1.981 20 30 CDEDLO Cn1cc(C[NH2+]Cc2nncn2-c2ccccc2)cc1C#N ZINC000190754979 140130892 /nfs/dbraw/zinc/13/08/92/140130892.db2.gz CDGXDCQHAGPWTF-UHFFFAOYSA-N 1 2 292.346 1.767 20 30 CDEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCc1[nH+]ccn1C ZINC000227114758 140183066 /nfs/dbraw/zinc/18/30/66/140183066.db2.gz XNFFKNKMTZJXOU-UHFFFAOYSA-N 1 2 290.348 1.079 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(C(=O)OCC)no1 ZINC000491668351 397714561 /nfs/dbraw/zinc/71/45/61/397714561.db2.gz OHXHUJDDJFNXFR-UHFFFAOYSA-N 1 2 251.286 1.090 20 30 CDEDLO C#CC(C)(C)[N@H+](C)Cc1nc(C(=O)OCC)no1 ZINC000491668351 397714564 /nfs/dbraw/zinc/71/45/64/397714564.db2.gz OHXHUJDDJFNXFR-UHFFFAOYSA-N 1 2 251.286 1.090 20 30 CDEDLO CC[N@H+](Cc1cc(C#N)cs1)[C@H](C)CS(C)(=O)=O ZINC000093391326 147050361 /nfs/dbraw/zinc/05/03/61/147050361.db2.gz MXJMAIBUMKCOCD-SNVBAGLBSA-N 1 2 286.422 1.875 20 30 CDEDLO CC[N@@H+](Cc1cc(C#N)cs1)[C@H](C)CS(C)(=O)=O ZINC000093391326 147050366 /nfs/dbraw/zinc/05/03/66/147050366.db2.gz MXJMAIBUMKCOCD-SNVBAGLBSA-N 1 2 286.422 1.875 20 30 CDEDLO Cc1ccc(C#N)cc1NC(=O)NCc1[nH+]ccn1C ZINC000335913635 151107765 /nfs/dbraw/zinc/10/77/65/151107765.db2.gz NSSPLESRSRKUIS-UHFFFAOYSA-N 1 2 269.308 1.922 20 30 CDEDLO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccon1 ZINC000349242628 154073412 /nfs/dbraw/zinc/07/34/12/154073412.db2.gz MGTXJHDKCWNMQO-MRVPVSSYSA-N 1 2 276.321 1.897 20 30 CDEDLO Cc1cc(C[N@@H+]2C[C@H]3CCS(=O)(=O)[C@@H]3C2)ccc1C#N ZINC000352984159 165077712 /nfs/dbraw/zinc/07/77/12/165077712.db2.gz IQNPCVVVBGNSIJ-HUUCEWRRSA-N 1 2 290.388 1.486 20 30 CDEDLO Cc1cc(C[N@H+]2C[C@H]3CCS(=O)(=O)[C@@H]3C2)ccc1C#N ZINC000352984159 165077716 /nfs/dbraw/zinc/07/77/16/165077716.db2.gz IQNPCVVVBGNSIJ-HUUCEWRRSA-N 1 2 290.388 1.486 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2c2nc(C)no2)C1=O ZINC000285488139 196301933 /nfs/dbraw/zinc/30/19/33/196301933.db2.gz BYPSURHFWXTXLA-RYUDHWBXSA-N 1 2 276.340 1.302 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2c2nc(C)no2)C1=O ZINC000285488139 196301934 /nfs/dbraw/zinc/30/19/34/196301934.db2.gz BYPSURHFWXTXLA-RYUDHWBXSA-N 1 2 276.340 1.302 20 30 CDEDLO C=CCCOCC[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657419149 414307163 /nfs/dbraw/zinc/30/71/63/414307163.db2.gz QKXGLPJSEYIAQT-UHFFFAOYSA-N 1 2 253.350 1.110 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000076412283 177020900 /nfs/dbraw/zinc/02/09/00/177020900.db2.gz FZIUQPVXVPCRMC-UPJWGTAASA-N 1 2 267.373 1.104 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000076412283 177020902 /nfs/dbraw/zinc/02/09/02/177020902.db2.gz FZIUQPVXVPCRMC-UPJWGTAASA-N 1 2 267.373 1.104 20 30 CDEDLO CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000076708222 177066935 /nfs/dbraw/zinc/06/69/35/177066935.db2.gz GDPQLQUIRIAPIU-AWEZNQCLSA-N 1 2 275.327 1.798 20 30 CDEDLO CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000076708222 177066937 /nfs/dbraw/zinc/06/69/37/177066937.db2.gz GDPQLQUIRIAPIU-AWEZNQCLSA-N 1 2 275.327 1.798 20 30 CDEDLO CC[C@H]1C[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)CCO1 ZINC000076905483 177130632 /nfs/dbraw/zinc/13/06/32/177130632.db2.gz NPDCPHOZJLACHG-STQMWFEESA-N 1 2 267.373 1.105 20 30 CDEDLO CC[C@H]1C[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)CCO1 ZINC000076905483 177130633 /nfs/dbraw/zinc/13/06/33/177130633.db2.gz NPDCPHOZJLACHG-STQMWFEESA-N 1 2 267.373 1.105 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000078821458 177393604 /nfs/dbraw/zinc/39/36/04/177393604.db2.gz VYWCHUXJQSMLDG-BETUJISGSA-N 1 2 252.358 1.296 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000078821458 177393606 /nfs/dbraw/zinc/39/36/06/177393606.db2.gz VYWCHUXJQSMLDG-BETUJISGSA-N 1 2 252.358 1.296 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000347088701 226045407 /nfs/dbraw/zinc/04/54/07/226045407.db2.gz PXJCPGNTPCMYIR-CHWSQXEVSA-N 1 2 272.352 1.446 20 30 CDEDLO C[C@@H]1CCC[C@@H](CO)[N@@H+]1Cc1nc(C#N)cs1 ZINC000419237991 287398767 /nfs/dbraw/zinc/39/87/67/287398767.db2.gz MNOGNZZPCYEGKS-KOLCDFICSA-N 1 2 251.355 1.750 20 30 CDEDLO C[C@@H]1CCC[C@@H](CO)[N@H+]1Cc1nc(C#N)cs1 ZINC000419237991 287398768 /nfs/dbraw/zinc/39/87/68/287398768.db2.gz MNOGNZZPCYEGKS-KOLCDFICSA-N 1 2 251.355 1.750 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC([O-])=[NH+][C@@]1(C)CCCOC1 ZINC000329103132 227297628 /nfs/dbraw/zinc/29/76/28/227297628.db2.gz FWDGVZYEYDSEPB-YPMHNXCESA-N 1 2 266.345 1.344 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@]1(C)CCCOC1 ZINC000329103132 227297632 /nfs/dbraw/zinc/29/76/32/227297632.db2.gz FWDGVZYEYDSEPB-YPMHNXCESA-N 1 2 266.345 1.344 20 30 CDEDLO C[C@]1(NC(=O)NC[C@@H]2CCCn3cc[nH+]c32)CCCOC1 ZINC000329167076 227337396 /nfs/dbraw/zinc/33/73/96/227337396.db2.gz IHECBMLNQAISNS-WFASDCNBSA-N 1 2 292.383 1.833 20 30 CDEDLO Cc1[nH]c(C(=O)NC[C@H](C)N2CCCCC2=O)c[nH+]1 ZINC000330086192 228035677 /nfs/dbraw/zinc/03/56/77/228035677.db2.gz LZWBPPBTZSZPGO-VIFPVBQESA-N 1 2 264.329 1.424 20 30 CDEDLO Cc1[nH]c(C(=O)NC[C@@H](C)N2CCCCC2=O)c[nH+]1 ZINC000330086188 228035876 /nfs/dbraw/zinc/03/58/76/228035876.db2.gz LZWBPPBTZSZPGO-SECBINFHSA-N 1 2 264.329 1.424 20 30 CDEDLO Cc1cc(C[C@H](C)NC(=O)[C@H](C)N2CC[NH+](C)CC2)n[nH]1 ZINC000330192538 228061508 /nfs/dbraw/zinc/06/15/08/228061508.db2.gz NUTLQCNVWMOIRP-AAEUAGOBSA-N 1 2 293.415 1.242 20 30 CDEDLO Cc1cccc2[nH+]cc(CN3CCO[C@@H](C#N)C3)n21 ZINC000353390764 228094914 /nfs/dbraw/zinc/09/49/14/228094914.db2.gz VRWAGFMYIUULKX-ZDUSSCGKSA-N 1 2 256.309 1.367 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000333675839 228209854 /nfs/dbraw/zinc/20/98/54/228209854.db2.gz DKRAMKQJPSEGJN-QJPTWQEYSA-N 1 2 273.340 1.189 20 30 CDEDLO C[C@@H]1C[C@]1(C#N)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000336232537 228218510 /nfs/dbraw/zinc/21/85/10/228218510.db2.gz NXFLFZNFBLDVNB-RHSMWYFYSA-N 1 2 283.375 1.881 20 30 CDEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000408080809 260218727 /nfs/dbraw/zinc/21/87/27/260218727.db2.gz CKOTXMIJIIVVQB-UONOGXRCSA-N 1 2 293.411 1.828 20 30 CDEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000408080809 260218728 /nfs/dbraw/zinc/21/87/28/260218728.db2.gz CKOTXMIJIIVVQB-UONOGXRCSA-N 1 2 293.411 1.828 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC000159675466 260922172 /nfs/dbraw/zinc/92/21/72/260922172.db2.gz ATWBLFCSISCRAT-UHFFFAOYSA-N 1 2 286.375 1.405 20 30 CDEDLO C=CCN1CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000103149805 261275660 /nfs/dbraw/zinc/27/56/60/261275660.db2.gz WDSQTEPVMDRSEH-UHFFFAOYSA-N 1 2 279.428 1.581 20 30 CDEDLO COc1cc(C#N)ccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414148653 262810618 /nfs/dbraw/zinc/81/06/18/262810618.db2.gz SXRKWMMWIYEJLN-ZDUSSCGKSA-N 1 2 289.335 1.152 20 30 CDEDLO COc1cc(C#N)ccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414148653 262810619 /nfs/dbraw/zinc/81/06/19/262810619.db2.gz SXRKWMMWIYEJLN-ZDUSSCGKSA-N 1 2 289.335 1.152 20 30 CDEDLO N#CC1(CS(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000274194784 263021827 /nfs/dbraw/zinc/02/18/27/263021827.db2.gz GFMFRTRKAKKKPC-UHFFFAOYSA-N 1 2 294.380 1.223 20 30 CDEDLO CO/N=C/C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000282917135 263079542 /nfs/dbraw/zinc/07/95/42/263079542.db2.gz DYVMJZUVTVFVEM-GZTJUZNOSA-N 1 2 276.340 1.320 20 30 CDEDLO COC(=O)c1coc(CO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000284499899 263086992 /nfs/dbraw/zinc/08/69/92/263086992.db2.gz SVRCXORRRIQFGB-JTQLQIEISA-N 1 2 268.269 1.034 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000285284675 263091724 /nfs/dbraw/zinc/09/17/24/263091724.db2.gz UPPKRABAULOEPZ-AWEZNQCLSA-N 1 2 260.341 1.704 20 30 CDEDLO CC(C)[C@@H](NS(=O)(=O)CCCCC#N)c1[nH]cc[nH+]1 ZINC000288821933 263106249 /nfs/dbraw/zinc/10/62/49/263106249.db2.gz BLVOPRLFNYFITM-LLVKDONJSA-N 1 2 284.385 1.720 20 30 CDEDLO N#CCN1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289023678 263107064 /nfs/dbraw/zinc/10/70/64/263107064.db2.gz ANAZPRRLAGZWBR-ZDUSSCGKSA-N 1 2 272.352 1.658 20 30 CDEDLO C=CC[N@@H+](CCC#N)C[C@H]1CC(C(=O)OC)=C(C)O1 ZINC000292094974 263128242 /nfs/dbraw/zinc/12/82/42/263128242.db2.gz FWJNLVCTOIDVEC-GFCCVEGCSA-N 1 2 264.325 1.624 20 30 CDEDLO C=CC[N@H+](CCC#N)C[C@H]1CC(C(=O)OC)=C(C)O1 ZINC000292094974 263128243 /nfs/dbraw/zinc/12/82/43/263128243.db2.gz FWJNLVCTOIDVEC-GFCCVEGCSA-N 1 2 264.325 1.624 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)NCc1cccs1 ZINC000299167935 263233570 /nfs/dbraw/zinc/23/35/70/263233570.db2.gz QCNKXXHZMACKHN-WDEREUQCSA-N 1 2 265.382 1.844 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)NCc1cccs1 ZINC000299167935 263233572 /nfs/dbraw/zinc/23/35/72/263233572.db2.gz QCNKXXHZMACKHN-WDEREUQCSA-N 1 2 265.382 1.844 20 30 CDEDLO CC#CCN(C)C(=O)[C@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000341073654 263323822 /nfs/dbraw/zinc/32/38/22/263323822.db2.gz SBNGHHDJOXFSMH-KGLIPLIRSA-N 1 2 271.364 1.636 20 30 CDEDLO COCC1(C#N)CC[NH+]([C@H](C)C(=O)OC(C)(C)C)CC1 ZINC000341981305 263369885 /nfs/dbraw/zinc/36/98/85/263369885.db2.gz BPJZYEXYNADHEX-GFCCVEGCSA-N 1 2 282.384 1.969 20 30 CDEDLO Cc1nc([C@H]2C[N@H+](CCCSCC#N)CCO2)no1 ZINC000330775391 264035195 /nfs/dbraw/zinc/03/51/95/264035195.db2.gz SEAQVKUXZOTLLI-LLVKDONJSA-N 1 2 282.369 1.398 20 30 CDEDLO Cc1nc([C@H]2C[N@@H+](CCCSCC#N)CCO2)no1 ZINC000330775391 264035197 /nfs/dbraw/zinc/03/51/97/264035197.db2.gz SEAQVKUXZOTLLI-LLVKDONJSA-N 1 2 282.369 1.398 20 30 CDEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cn1 ZINC000330849299 264067247 /nfs/dbraw/zinc/06/72/47/264067247.db2.gz PSCOLBCOHUPQFD-ONGXEEELSA-N 1 2 278.743 1.955 20 30 CDEDLO C[C@H](CNC(=O)NCCC(F)(F)F)[NH+]1CCOCC1 ZINC000330942043 264083550 /nfs/dbraw/zinc/08/35/50/264083550.db2.gz ZLALIMDAZPJGMX-SECBINFHSA-N 1 2 283.294 1.163 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000331063829 264111613 /nfs/dbraw/zinc/11/16/13/264111613.db2.gz OSZGNSKMPXMPDA-NSHDSACASA-N 1 2 285.388 1.316 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000331063829 264111614 /nfs/dbraw/zinc/11/16/14/264111614.db2.gz OSZGNSKMPXMPDA-NSHDSACASA-N 1 2 285.388 1.316 20 30 CDEDLO C=C[C@@H](C)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000333975157 264226494 /nfs/dbraw/zinc/22/64/94/264226494.db2.gz GUGPOUPPPILNCD-VXGBXAGGSA-N 1 2 260.341 1.534 20 30 CDEDLO C=C(CC)CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661289778 424137463 /nfs/dbraw/zinc/13/74/63/424137463.db2.gz JNCPNNDNJSMNOH-ZDUSSCGKSA-N 1 2 267.373 1.069 20 30 CDEDLO C=CC(C)(C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000294285274 424256104 /nfs/dbraw/zinc/25/61/04/424256104.db2.gz HWFIEAJCGPYRSA-UHFFFAOYSA-N 1 2 289.379 1.747 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@](C)(CO)c2ccccc2)nn1 ZINC000653554598 424276515 /nfs/dbraw/zinc/27/65/15/424276515.db2.gz LVKDOSTXIWZDDN-INIZCTEOSA-N 1 2 286.379 1.852 20 30 CDEDLO CCOC(=O)N1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000399554688 266260264 /nfs/dbraw/zinc/26/02/64/266260264.db2.gz DOCFUYSBHUWFOH-UHFFFAOYSA-N 1 2 274.324 1.540 20 30 CDEDLO C#CCCCS(=O)(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000367776120 267116966 /nfs/dbraw/zinc/11/69/66/267116966.db2.gz HDAHUVOPAGLOSV-ZDUSSCGKSA-N 1 2 295.408 1.343 20 30 CDEDLO CCO[C@@H]1C[C@H](Nc2cc(C)[nH+]cc2C#N)[C@]12CCCO2 ZINC000514933267 267151714 /nfs/dbraw/zinc/15/17/14/267151714.db2.gz XKMPCPNSDXKQAT-ARFHVFGLSA-N 1 2 287.363 1.822 20 30 CDEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC000119166873 267305250 /nfs/dbraw/zinc/30/52/50/267305250.db2.gz GNLWZGPRIVOGFG-LBPRGKRZSA-N 1 2 292.408 1.458 20 30 CDEDLO CC(C)(C)n1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)nn1 ZINC000329705964 277282080 /nfs/dbraw/zinc/28/20/80/277282080.db2.gz JRIDEGWACWHRAR-VIFPVBQESA-N 1 2 288.355 1.618 20 30 CDEDLO CC(C)(C)n1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)nn1 ZINC000329705964 277282081 /nfs/dbraw/zinc/28/20/81/277282081.db2.gz JRIDEGWACWHRAR-VIFPVBQESA-N 1 2 288.355 1.618 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000299190010 277683199 /nfs/dbraw/zinc/68/31/99/277683199.db2.gz CVQINRZUHPKFIL-CQSZACIVSA-N 1 2 260.381 1.734 20 30 CDEDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccccn1 ZINC000361146174 278278856 /nfs/dbraw/zinc/27/88/56/278278856.db2.gz AQZRQVWCIXHYRV-NHYWBVRUSA-N 1 2 280.331 1.830 20 30 CDEDLO Cc1cccn2cc(CNC(=O)c3ccc(C#N)cn3)[nH+]c12 ZINC000110798772 279318876 /nfs/dbraw/zinc/31/88/76/279318876.db2.gz WHTVMWVGQWDLAS-UHFFFAOYSA-N 1 2 291.314 1.839 20 30 CDEDLO Cc1cc(NCc2ncnn2C(C)(C)C)c(C#N)c[nH+]1 ZINC000425255674 280300000 /nfs/dbraw/zinc/30/00/00/280300000.db2.gz GMPOXYQPVGYDGU-UHFFFAOYSA-N 1 2 270.340 1.642 20 30 CDEDLO C[C@@H]1N(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CCOC1(C)C ZINC000330199836 288821611 /nfs/dbraw/zinc/82/16/11/288821611.db2.gz VYFTVSIJEHOYGX-RYUDHWBXSA-N 1 2 292.383 1.611 20 30 CDEDLO Cc1nc(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)ccc1C#N ZINC000456367339 293186507 /nfs/dbraw/zinc/18/65/07/293186507.db2.gz HDRKTHPUSSJDSU-TVQRCGJNSA-N 1 2 281.319 1.894 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000563154231 293291986 /nfs/dbraw/zinc/29/19/86/293291986.db2.gz IHXUCTKHXUKPKT-ZDUSSCGKSA-N 1 2 271.324 1.212 20 30 CDEDLO CC[C@H]1COCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000563154231 293291987 /nfs/dbraw/zinc/29/19/87/293291987.db2.gz IHXUCTKHXUKPKT-ZDUSSCGKSA-N 1 2 271.324 1.212 20 30 CDEDLO Cc1nnc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)n1C ZINC000329749778 293849104 /nfs/dbraw/zinc/84/91/04/293849104.db2.gz HQZPGXAADKRCOW-SECBINFHSA-N 1 2 260.301 1.171 20 30 CDEDLO Cc1nsc(N2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000330263211 294004170 /nfs/dbraw/zinc/00/41/70/294004170.db2.gz WFDPYCJZYSEBBB-NWDGAFQWSA-N 1 2 277.397 1.661 20 30 CDEDLO N#Cc1nccc(NCc2ccc(N3CCCCC3)[nH+]c2)n1 ZINC000571845686 294514244 /nfs/dbraw/zinc/51/42/44/294514244.db2.gz JHDYTPCCYMTBLI-UHFFFAOYSA-N 1 2 294.362 1.768 20 30 CDEDLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000329988809 295388267 /nfs/dbraw/zinc/38/82/67/295388267.db2.gz HMCPEPVFMQHEGE-WHOHXGKFSA-N 1 2 276.340 1.496 20 30 CDEDLO C[C@@H]1COC(C)(C)C[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000347125428 297115166 /nfs/dbraw/zinc/11/51/66/297115166.db2.gz QXAUIKMTHGXGTE-LLVKDONJSA-N 1 2 265.357 1.048 20 30 CDEDLO C[C@@H]1COC(C)(C)C[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000347125428 297115168 /nfs/dbraw/zinc/11/51/68/297115168.db2.gz QXAUIKMTHGXGTE-LLVKDONJSA-N 1 2 265.357 1.048 20 30 CDEDLO Cc1cn2cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)sc2n1 ZINC000580197903 327729508 /nfs/dbraw/zinc/72/95/08/327729508.db2.gz KFCFWNPGMIEKCJ-ZDUSSCGKSA-N 1 2 291.380 1.278 20 30 CDEDLO C[C@@H](C(=O)NCC(=O)c1ccc(C#N)cc1)[NH+]1CC(C)C1 ZINC000566459900 316598916 /nfs/dbraw/zinc/59/89/16/316598916.db2.gz CMPRFPRTUIDWNW-LBPRGKRZSA-N 1 2 285.347 1.197 20 30 CDEDLO N#Cc1cccc(CNC(=O)C[N@H+](C2CC2)C2COC2)c1 ZINC000576195244 317093557 /nfs/dbraw/zinc/09/35/57/317093557.db2.gz PFCWRLKYADNWDJ-UHFFFAOYSA-N 1 2 285.347 1.038 20 30 CDEDLO N#Cc1cccc(CNC(=O)C[N@@H+](C2CC2)C2COC2)c1 ZINC000576195244 317093559 /nfs/dbraw/zinc/09/35/59/317093559.db2.gz PFCWRLKYADNWDJ-UHFFFAOYSA-N 1 2 285.347 1.038 20 30 CDEDLO CN(CCCn1cc[nH+]c1)c1ccc(C#N)c(N)n1 ZINC000577077216 317262962 /nfs/dbraw/zinc/26/29/62/317262962.db2.gz OZQWAVRFEWGJGJ-UHFFFAOYSA-N 1 2 256.313 1.258 20 30 CDEDLO C[C@@H]1CCC[C@@H](OCC(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000571407988 328119691 /nfs/dbraw/zinc/11/96/91/328119691.db2.gz JIGABDCJJRTBBP-UMVBOHGHSA-N 1 2 281.400 1.542 20 30 CDEDLO CC(=O)c1ccccc1OCCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284598583 328246350 /nfs/dbraw/zinc/24/63/50/328246350.db2.gz YIYGVJQEXBMNMW-AWEZNQCLSA-N 1 2 292.335 1.736 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187879645 326834327 /nfs/dbraw/zinc/83/43/27/326834327.db2.gz MWPDPJDCWGLSAY-QMMMGPOBSA-N 1 2 270.279 1.623 20 30 CDEDLO COc1ccc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000558897729 327130179 /nfs/dbraw/zinc/13/01/79/327130179.db2.gz AQZZZEJAIDMJPG-OAHLLOKOSA-N 1 2 275.352 1.198 20 30 CDEDLO Cc1cccc([C@H]2C(=O)NCC[N@H+]2CCCC#N)c1 ZINC000569355487 327161231 /nfs/dbraw/zinc/16/12/31/327161231.db2.gz OQBYIZPXNYUTBE-AWEZNQCLSA-N 1 2 257.337 1.772 20 30 CDEDLO Cc1cccc([C@H]2C(=O)NCC[N@@H+]2CCCC#N)c1 ZINC000569355487 327161232 /nfs/dbraw/zinc/16/12/32/327161232.db2.gz OQBYIZPXNYUTBE-AWEZNQCLSA-N 1 2 257.337 1.772 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000560463654 327311097 /nfs/dbraw/zinc/31/10/97/327311097.db2.gz UIYVCXSZSIVERR-WZRBSPASSA-N 1 2 275.352 1.679 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000560463654 327311098 /nfs/dbraw/zinc/31/10/98/327311098.db2.gz UIYVCXSZSIVERR-WZRBSPASSA-N 1 2 275.352 1.679 20 30 CDEDLO C#C[C@@H](C)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000378489659 329052676 /nfs/dbraw/zinc/05/26/76/329052676.db2.gz PXJZMLZIIATUDK-DGCLKSJQSA-N 1 2 259.309 1.266 20 30 CDEDLO N#C[C@@H]1N(C(=O)Cn2cc[nH+]c2)CCC[C@]12CCCCO2 ZINC000582521270 329100313 /nfs/dbraw/zinc/10/03/13/329100313.db2.gz YBSRTWQTVQZTSJ-DZGCQCFKSA-N 1 2 288.351 1.337 20 30 CDEDLO C=CC[N@@H+](CCCS(=O)(=O)C(C)C)CCOC ZINC000189421723 329381979 /nfs/dbraw/zinc/38/19/79/329381979.db2.gz CMPWZGPGYGODBG-UHFFFAOYSA-N 1 2 263.403 1.334 20 30 CDEDLO C=CC[N@H+](CCCS(=O)(=O)C(C)C)CCOC ZINC000189421723 329381981 /nfs/dbraw/zinc/38/19/81/329381981.db2.gz CMPWZGPGYGODBG-UHFFFAOYSA-N 1 2 263.403 1.334 20 30 CDEDLO C#C[C@H](C)NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000190243494 329393796 /nfs/dbraw/zinc/39/37/96/329393796.db2.gz QAUQSWOUSKCYFN-NSHDSACASA-N 1 2 296.330 1.164 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccc(OC)c(O)c2)nn1 ZINC000424172421 330312409 /nfs/dbraw/zinc/31/24/09/330312409.db2.gz NXEHVWZRGXQZNE-UHFFFAOYSA-N 1 2 274.324 1.468 20 30 CDEDLO C=C(C)COCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000119647679 330378196 /nfs/dbraw/zinc/37/81/96/330378196.db2.gz YLRLWQDDIBYOQH-LBPRGKRZSA-N 1 2 263.341 1.154 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000437617124 330705050 /nfs/dbraw/zinc/70/50/50/330705050.db2.gz XPBKVMOREMOGEA-ZFWWWQNUSA-N 1 2 284.400 1.052 20 30 CDEDLO N#CCN1CC[NH+](Cc2ccnn2C2CCCC2)CC1 ZINC000449017597 330892211 /nfs/dbraw/zinc/89/22/11/330892211.db2.gz KNSDRQGAHTVUIR-UHFFFAOYSA-N 1 2 273.384 1.639 20 30 CDEDLO C=CCC[C@H]([NH2+][C@H](C)Cn1cccn1)C(=O)OCC ZINC000449656744 330942471 /nfs/dbraw/zinc/94/24/71/330942471.db2.gz MDWKYDKEVWGJQU-OLZOCXBDSA-N 1 2 265.357 1.759 20 30 CDEDLO C=CCC[C@H](O)C[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000451596301 331035594 /nfs/dbraw/zinc/03/55/94/331035594.db2.gz SWYCZKCUNWUMDT-STQMWFEESA-N 1 2 257.374 1.879 20 30 CDEDLO C=CCOC[C@H]([NH2+]C1CC2(CCC2)C1)C(=O)OC ZINC000459517071 331285597 /nfs/dbraw/zinc/28/55/97/331285597.db2.gz RVPXBSMJRGNPPM-LBPRGKRZSA-N 1 2 253.342 1.653 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(C3CC3)nc2)C1=O ZINC000459529893 331286176 /nfs/dbraw/zinc/28/61/76/331286176.db2.gz LAPORDKSYOYKSB-CQSZACIVSA-N 1 2 286.379 1.573 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(C3CC3)nc2)C1=O ZINC000459529893 331286177 /nfs/dbraw/zinc/28/61/77/331286177.db2.gz LAPORDKSYOYKSB-CQSZACIVSA-N 1 2 286.379 1.573 20 30 CDEDLO C#CC[N@@H+](Cc1nc(N(C)C)no1)C1CCCCC1 ZINC000490634832 332097988 /nfs/dbraw/zinc/09/79/88/332097988.db2.gz AJGPCDRKWZYDKK-UHFFFAOYSA-N 1 2 262.357 1.904 20 30 CDEDLO C#CC[N@H+](Cc1nc(N(C)C)no1)C1CCCCC1 ZINC000490634832 332097989 /nfs/dbraw/zinc/09/79/89/332097989.db2.gz AJGPCDRKWZYDKK-UHFFFAOYSA-N 1 2 262.357 1.904 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CON=Cc2ccc(C)cc2)CC1 ZINC000490762618 332113955 /nfs/dbraw/zinc/11/39/55/332113955.db2.gz IQHANYWXSSHWIE-UHFFFAOYSA-N 1 2 299.374 1.123 20 30 CDEDLO C#C[C@H](NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)C(C)C ZINC000490974808 332135075 /nfs/dbraw/zinc/13/50/75/332135075.db2.gz QPQRNYIXJJIBMW-RDBSUJKOSA-N 1 2 281.400 1.053 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000491241158 332172347 /nfs/dbraw/zinc/17/23/47/332172347.db2.gz HGEPMFFGQFTFJM-NSHDSACASA-N 1 2 284.319 1.191 20 30 CDEDLO C#C[C@H]1COCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000491295982 332184022 /nfs/dbraw/zinc/18/40/22/332184022.db2.gz KHQYHUKNYWERFH-INIZCTEOSA-N 1 2 295.342 1.406 20 30 CDEDLO C#C[C@H](CC)NC(=O)NCCCCNc1cccc[nH+]1 ZINC000491383192 332201670 /nfs/dbraw/zinc/20/16/70/332201670.db2.gz LDPNQTCJQDBDGY-CYBMUJFWSA-N 1 2 274.368 1.985 20 30 CDEDLO C#C[C@@H](C)N(C)c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000491503339 332223962 /nfs/dbraw/zinc/22/39/62/332223962.db2.gz BWEZNTPGLLGGBE-CHWSQXEVSA-N 1 2 274.368 1.286 20 30 CDEDLO C#C[C@@H](C)N(C)c1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000491503339 332223963 /nfs/dbraw/zinc/22/39/63/332223963.db2.gz BWEZNTPGLLGGBE-CHWSQXEVSA-N 1 2 274.368 1.286 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cnc(C)nc2)n1 ZINC000491538431 332233212 /nfs/dbraw/zinc/23/32/12/332233212.db2.gz ZCVYJHOUPUEKKU-UHFFFAOYSA-N 1 2 269.352 1.637 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2cnc(C)nc2)n1 ZINC000491538431 332233213 /nfs/dbraw/zinc/23/32/13/332233213.db2.gz ZCVYJHOUPUEKKU-UHFFFAOYSA-N 1 2 269.352 1.637 20 30 CDEDLO C#CC[N@@H+](C[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000491544697 332234646 /nfs/dbraw/zinc/23/46/46/332234646.db2.gz MZXMJKCAOKWCDW-GDBMZVCRSA-N 1 2 291.416 1.912 20 30 CDEDLO C#CC[N@H+](C[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000491544697 332234648 /nfs/dbraw/zinc/23/46/48/332234648.db2.gz MZXMJKCAOKWCDW-GDBMZVCRSA-N 1 2 291.416 1.912 20 30 CDEDLO C#CC[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000491625279 332249113 /nfs/dbraw/zinc/24/91/13/332249113.db2.gz LJPFYUABDAXGEX-NSHDSACASA-N 1 2 288.313 1.885 20 30 CDEDLO C#CC[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000491625279 332249114 /nfs/dbraw/zinc/24/91/14/332249114.db2.gz LJPFYUABDAXGEX-NSHDSACASA-N 1 2 288.313 1.885 20 30 CDEDLO C#C[C@H](NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C(C)(C)C ZINC000491713360 332304438 /nfs/dbraw/zinc/30/44/38/332304438.db2.gz JPALXPCRWUPXDK-GWCFXTLKSA-N 1 2 274.368 1.614 20 30 CDEDLO C#C[C@H](NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C(C)(C)C ZINC000491713360 332304439 /nfs/dbraw/zinc/30/44/39/332304439.db2.gz JPALXPCRWUPXDK-GWCFXTLKSA-N 1 2 274.368 1.614 20 30 CDEDLO C#CC[N@@H+](CC(=O)N[C@H](Cc1ccccc1)C(C)=O)C1CC1 ZINC000491749826 332326526 /nfs/dbraw/zinc/32/65/26/332326526.db2.gz ZVSMZTXROVCQAO-QGZVFWFLSA-N 1 2 298.386 1.401 20 30 CDEDLO C#CC[N@H+](CC(=O)N[C@H](Cc1ccccc1)C(C)=O)C1CC1 ZINC000491749826 332326527 /nfs/dbraw/zinc/32/65/27/332326527.db2.gz ZVSMZTXROVCQAO-QGZVFWFLSA-N 1 2 298.386 1.401 20 30 CDEDLO C#CCN(CC#C)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000491803473 332357390 /nfs/dbraw/zinc/35/73/90/332357390.db2.gz JLUZBKPGBCMVPC-UHFFFAOYSA-N 1 2 291.354 1.569 20 30 CDEDLO COc1cncc(/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000493116765 332426845 /nfs/dbraw/zinc/42/68/45/332426845.db2.gz BSOKJKBSKCZXBM-LLYBFZRZSA-N 1 2 288.351 1.063 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1cscn1 ZINC000493313950 332434985 /nfs/dbraw/zinc/43/49/85/332434985.db2.gz CLAZYUMALSRITA-ITKZLYELSA-N 1 2 264.354 1.116 20 30 CDEDLO C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000177907259 333065470 /nfs/dbraw/zinc/06/54/70/333065470.db2.gz YEFCDBLZKVVCDS-GDBMZVCRSA-N 1 2 265.445 1.957 20 30 CDEDLO C#CC[NH+]1CCN(CN2C[C@@H](CC(C)(C)C)OC2=O)CC1 ZINC000190188208 333204193 /nfs/dbraw/zinc/20/41/93/333204193.db2.gz XFCLRTCMTLCCGN-CQSZACIVSA-N 1 2 293.411 1.452 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)NCCCCn1cc[nH+]c1 ZINC000540386559 333727654 /nfs/dbraw/zinc/72/76/54/333727654.db2.gz WDTBFLXYYJOBNL-ZDUSSCGKSA-N 1 2 280.372 1.147 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)NCCCCn1cc[nH+]c1 ZINC000540386557 333727819 /nfs/dbraw/zinc/72/78/19/333727819.db2.gz WDTBFLXYYJOBNL-CYBMUJFWSA-N 1 2 280.372 1.147 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1cnn(C)c1 ZINC000078643993 334138174 /nfs/dbraw/zinc/13/81/74/334138174.db2.gz GZAXBNYBPQWSKZ-ZDUSSCGKSA-N 1 2 278.400 1.665 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1cnn(C)c1 ZINC000078643993 334138175 /nfs/dbraw/zinc/13/81/75/334138175.db2.gz GZAXBNYBPQWSKZ-ZDUSSCGKSA-N 1 2 278.400 1.665 20 30 CDEDLO CC[C@@H]1C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CCO1 ZINC000555482721 334479681 /nfs/dbraw/zinc/47/96/81/334479681.db2.gz HZCVFALDSSYBNJ-YRGRVCCFSA-N 1 2 267.373 1.152 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)C1CC1 ZINC000573239937 334920645 /nfs/dbraw/zinc/92/06/45/334920645.db2.gz YQYYWSZJTBPTAP-UHTWSYAYSA-N 1 2 287.367 1.863 20 30 CDEDLO N#CCCC1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000576938466 335266243 /nfs/dbraw/zinc/26/62/43/335266243.db2.gz CXINBFIJTJFLDQ-UHFFFAOYSA-N 1 2 294.399 1.044 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(C#N)cn1 ZINC000577809245 335403452 /nfs/dbraw/zinc/40/34/52/335403452.db2.gz DKIWUZXOSWJSEB-UHFFFAOYSA-N 1 2 299.378 1.001 20 30 CDEDLO C[C@H](CC(=O)NC1(C#N)CCSCC1)n1cc[nH+]c1 ZINC000578017193 335461353 /nfs/dbraw/zinc/46/13/53/335461353.db2.gz VNOMGPQRZGFGEX-LLVKDONJSA-N 1 2 278.381 1.740 20 30 CDEDLO COc1cc(NC[C@@H](O)C[N@H+](C)CCC#N)cc(OC)c1 ZINC000581126791 336011811 /nfs/dbraw/zinc/01/18/11/336011811.db2.gz DKJKNMIFAHQNSZ-CYBMUJFWSA-N 1 2 293.367 1.322 20 30 CDEDLO COc1cc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc(OC)c1 ZINC000581126791 336011813 /nfs/dbraw/zinc/01/18/13/336011813.db2.gz DKJKNMIFAHQNSZ-CYBMUJFWSA-N 1 2 293.367 1.322 20 30 CDEDLO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccn[nH]2)cc1 ZINC000581246186 336031215 /nfs/dbraw/zinc/03/12/15/336031215.db2.gz LHBHWAVHECGZOY-AWEZNQCLSA-N 1 2 286.335 1.005 20 30 CDEDLO Cc1ccc(O[C@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000581432772 336076844 /nfs/dbraw/zinc/07/68/44/336076844.db2.gz KBWUTBIIFNVNMF-CZUORRHYSA-N 1 2 289.379 1.722 20 30 CDEDLO COCC#CC[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000677475561 482679092 /nfs/dbraw/zinc/67/90/92/482679092.db2.gz CINYZSWEQQZDTJ-UHFFFAOYSA-N 1 2 269.348 1.954 20 30 CDEDLO COCC#CC[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000677475561 482679095 /nfs/dbraw/zinc/67/90/95/482679095.db2.gz CINYZSWEQQZDTJ-UHFFFAOYSA-N 1 2 269.348 1.954 20 30 CDEDLO COCC#CC[N@H+](C)CC(=O)Nc1ccccc1SC ZINC000677477486 482681312 /nfs/dbraw/zinc/68/13/12/482681312.db2.gz IEWSUBYCJPEZOA-UHFFFAOYSA-N 1 2 292.404 1.929 20 30 CDEDLO COCC#CC[N@@H+](C)CC(=O)Nc1ccccc1SC ZINC000677477486 482681319 /nfs/dbraw/zinc/68/13/19/482681319.db2.gz IEWSUBYCJPEZOA-UHFFFAOYSA-N 1 2 292.404 1.929 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000330834437 483196231 /nfs/dbraw/zinc/19/62/31/483196231.db2.gz KXYNBBPOBTYECX-GXSJLCMTSA-N 1 2 274.349 1.840 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cnn(C)c1CC ZINC001409570564 1160854588 /nfs/dbraw/zinc/85/45/88/1160854588.db2.gz VGBOIDCCYWVMIS-LLVKDONJSA-N 1 2 298.818 1.785 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cnn(C)c1CC ZINC001409570564 1160854610 /nfs/dbraw/zinc/85/46/10/1160854610.db2.gz VGBOIDCCYWVMIS-LLVKDONJSA-N 1 2 298.818 1.785 20 30 CDEDLO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCn3cc[nH+]c32)CCO1 ZINC000329105593 533898930 /nfs/dbraw/zinc/89/89/30/533898930.db2.gz ONHGBTYGPTUYLY-JHJVBQTASA-N 1 2 292.383 1.832 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](NC(C)=O)C2CCCC2)CC1 ZINC001113083575 1162096103 /nfs/dbraw/zinc/09/61/03/1162096103.db2.gz HPVOTEWCMCCKNM-OAHLLOKOSA-N 1 2 293.411 1.012 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](OCC)C2CCOCC2)CC1 ZINC001113160654 1162118465 /nfs/dbraw/zinc/11/84/65/1162118465.db2.gz JEYWSKCJEGMVIN-HNNXBMFYSA-N 1 2 296.411 1.148 20 30 CDEDLO N#CCC[N@@H+](CC(=O)NC1(C#N)CCC1)CC1CC1 ZINC000347041895 534633168 /nfs/dbraw/zinc/63/31/68/534633168.db2.gz CDESJIPHJXDCJP-UHFFFAOYSA-N 1 2 260.341 1.175 20 30 CDEDLO N#CCC[N@H+](CC(=O)NC1(C#N)CCC1)CC1CC1 ZINC000347041895 534633175 /nfs/dbraw/zinc/63/31/75/534633175.db2.gz CDESJIPHJXDCJP-UHFFFAOYSA-N 1 2 260.341 1.175 20 30 CDEDLO N#CCC[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000049333274 526459088 /nfs/dbraw/zinc/45/90/88/526459088.db2.gz UFBYWPICSJGVKK-UHFFFAOYSA-N 1 2 263.366 1.856 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000367183768 526676162 /nfs/dbraw/zinc/67/61/62/526676162.db2.gz DCUWETHMPKJXOZ-GFCCVEGCSA-N 1 2 283.397 1.505 20 30 CDEDLO C=CCOCCC[N@@H+]1C[C@H](OC)C[C@H]1c1nnc[nH]1 ZINC000344761556 526758169 /nfs/dbraw/zinc/75/81/69/526758169.db2.gz YWIRCNNVKIONSY-NEPJUHHUSA-N 1 2 266.345 1.159 20 30 CDEDLO C=CCOCCC[N@H+]1C[C@H](OC)C[C@H]1c1nnc[nH]1 ZINC000344761556 526758175 /nfs/dbraw/zinc/75/81/75/526758175.db2.gz YWIRCNNVKIONSY-NEPJUHHUSA-N 1 2 266.345 1.159 20 30 CDEDLO C#Cc1cccc(NC(=S)NN2CC[NH+](C)CC2)c1 ZINC000726433655 574498908 /nfs/dbraw/zinc/49/89/08/574498908.db2.gz LTPDAFCEIDMFAQ-UHFFFAOYSA-N 1 2 274.393 1.117 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)cn1 ZINC000728859523 574660867 /nfs/dbraw/zinc/66/08/67/574660867.db2.gz PERGXUGALJDCJX-LLVKDONJSA-N 1 2 254.293 1.078 20 30 CDEDLO C#Cc1ccc(C(=O)NCCCCn2cc[nH+]c2)cn1 ZINC000728963040 574678488 /nfs/dbraw/zinc/67/84/88/574678488.db2.gz YMFMGJJLSSIWPN-UHFFFAOYSA-N 1 2 268.320 1.470 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cn1 ZINC000730832215 575014369 /nfs/dbraw/zinc/01/43/69/575014369.db2.gz GGIYBUWABKIEAA-UHFFFAOYSA-N 1 2 279.299 1.361 20 30 CDEDLO C=CCn1nnn(C[N@@H+](C)C[C@H](C)CC)c1=S ZINC000732181868 575082321 /nfs/dbraw/zinc/08/23/21/575082321.db2.gz BGEOKKSKBSUFQK-SNVBAGLBSA-N 1 2 255.391 1.930 20 30 CDEDLO C=CCn1nnn(C[N@H+](C)C[C@H](C)CC)c1=S ZINC000732181868 575082323 /nfs/dbraw/zinc/08/23/23/575082323.db2.gz BGEOKKSKBSUFQK-SNVBAGLBSA-N 1 2 255.391 1.930 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH2+]CC(=O)Nc1ccc(F)c(F)c1 ZINC000732917814 575098887 /nfs/dbraw/zinc/09/88/87/575098887.db2.gz MUDZFBIHJZGZQA-JTQLQIEISA-N 1 2 292.289 1.936 20 30 CDEDLO COCC#CC[N@@H+]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000772323661 575685596 /nfs/dbraw/zinc/68/55/96/575685596.db2.gz JHJKBVXJGZFRMC-KBPBESRZSA-N 1 2 296.411 1.966 20 30 CDEDLO COCC#CC[N@H+]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000772323661 575685599 /nfs/dbraw/zinc/68/55/99/575685599.db2.gz JHJKBVXJGZFRMC-KBPBESRZSA-N 1 2 296.411 1.966 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@](C)(O)c1ccccc1 ZINC000734019338 575153646 /nfs/dbraw/zinc/15/36/46/575153646.db2.gz KEGGVZBXSZCNJP-RDJZCZTQSA-N 1 2 286.375 1.108 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@](C)(O)c1ccccc1 ZINC000734019338 575153648 /nfs/dbraw/zinc/15/36/48/575153648.db2.gz KEGGVZBXSZCNJP-RDJZCZTQSA-N 1 2 286.375 1.108 20 30 CDEDLO C(=NNc1ccc(-n2cc[nH+]c2)nn1)c1cccnc1 ZINC000761845106 576597192 /nfs/dbraw/zinc/59/71/92/576597192.db2.gz GVKQPROYRUATID-UHFFFAOYSA-N 1 2 265.280 1.503 20 30 CDEDLO c1cn(-c2ccc(N=NCc3cccnc3)nn2)c[nH+]1 ZINC000761845106 576597193 /nfs/dbraw/zinc/59/71/93/576597193.db2.gz GVKQPROYRUATID-UHFFFAOYSA-N 1 2 265.280 1.503 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745079787 576712886 /nfs/dbraw/zinc/71/28/86/576712886.db2.gz PAVLYFLQGHXISL-ZIAGYGMSSA-N 1 2 294.395 1.603 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@H+]1C ZINC000745079787 576712889 /nfs/dbraw/zinc/71/28/89/576712889.db2.gz PAVLYFLQGHXISL-ZIAGYGMSSA-N 1 2 294.395 1.603 20 30 CDEDLO Cc1ccc(N=NCc2cccc3[nH+]ccn32)nn1 ZINC000771099908 575548486 /nfs/dbraw/zinc/54/84/86/575548486.db2.gz HJQJVTKWHKZPOC-UHFFFAOYSA-N 1 2 252.281 1.879 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)C2(F)CCCC2)CC1 ZINC000771968028 575642813 /nfs/dbraw/zinc/64/28/13/575642813.db2.gz UVNGYYHHZRINPT-UHFFFAOYSA-N 1 2 252.333 1.436 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000738343153 576061084 /nfs/dbraw/zinc/06/10/84/576061084.db2.gz ZJBVJUGJRPJYSL-NSHDSACASA-N 1 2 260.312 1.494 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000738343153 576061086 /nfs/dbraw/zinc/06/10/86/576061086.db2.gz ZJBVJUGJRPJYSL-NSHDSACASA-N 1 2 260.312 1.494 20 30 CDEDLO C#CCNC(=O)C[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000766163378 576082877 /nfs/dbraw/zinc/08/28/77/576082877.db2.gz RUZINYQJYUASLQ-UHFFFAOYSA-N 1 2 285.391 1.175 20 30 CDEDLO CC[N@H+](CC(=O)NC)Cc1ccc(C#N)cc1OC ZINC000766895051 576143024 /nfs/dbraw/zinc/14/30/24/576143024.db2.gz IPBOGGBYLODGOC-UHFFFAOYSA-N 1 2 261.325 1.135 20 30 CDEDLO CC[N@@H+](CC(=O)NC)Cc1ccc(C#N)cc1OC ZINC000766895051 576143026 /nfs/dbraw/zinc/14/30/26/576143026.db2.gz IPBOGGBYLODGOC-UHFFFAOYSA-N 1 2 261.325 1.135 20 30 CDEDLO C[C@H](C#N)OC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000741337869 576553359 /nfs/dbraw/zinc/55/33/59/576553359.db2.gz XJIMKEIHAQNZMJ-GFCCVEGCSA-N 1 2 274.320 1.588 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000741721684 576569238 /nfs/dbraw/zinc/56/92/38/576569238.db2.gz QDDOXMZGWPGXIK-HNNXBMFYSA-N 1 2 297.358 1.607 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000741721684 576569239 /nfs/dbraw/zinc/56/92/39/576569239.db2.gz QDDOXMZGWPGXIK-HNNXBMFYSA-N 1 2 297.358 1.607 20 30 CDEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)c1ncc[nH]1 ZINC000761830838 576595836 /nfs/dbraw/zinc/59/58/36/576595836.db2.gz LEWWHMCJZCNNOJ-UHFFFAOYSA-N 1 2 268.284 1.222 20 30 CDEDLO O=C(C#Cc1ccccc1)N1CC(n2cc[nH+]c2)C1 ZINC000747395603 576868223 /nfs/dbraw/zinc/86/82/23/576868223.db2.gz QLGXLCOFFUBZGJ-UHFFFAOYSA-N 1 2 251.289 1.318 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[C@H]1SCC ZINC000748575329 576918324 /nfs/dbraw/zinc/91/83/24/576918324.db2.gz GCQLHOSGHPXDKE-MELADBBJSA-N 1 2 280.437 1.874 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[C@H]1SCC ZINC000748575329 576918325 /nfs/dbraw/zinc/91/83/25/576918325.db2.gz GCQLHOSGHPXDKE-MELADBBJSA-N 1 2 280.437 1.874 20 30 CDEDLO COCC#CC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000757663243 577049221 /nfs/dbraw/zinc/04/92/21/577049221.db2.gz VBMHESIILXCUBS-CYBMUJFWSA-N 1 2 282.384 1.577 20 30 CDEDLO COCC#CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000757663243 577049222 /nfs/dbraw/zinc/04/92/22/577049222.db2.gz VBMHESIILXCUBS-CYBMUJFWSA-N 1 2 282.384 1.577 20 30 CDEDLO N#Cc1cccn(C[N@@H+]2CCOC3(CCCCC3)C2)c1=O ZINC000758221329 577084871 /nfs/dbraw/zinc/08/48/71/577084871.db2.gz BAXYAPPFYNECDN-UHFFFAOYSA-N 1 2 287.363 1.713 20 30 CDEDLO N#Cc1cccn(C[N@H+]2CCOC3(CCCCC3)C2)c1=O ZINC000758221329 577084872 /nfs/dbraw/zinc/08/48/72/577084872.db2.gz BAXYAPPFYNECDN-UHFFFAOYSA-N 1 2 287.363 1.713 20 30 CDEDLO C#CC[N@H+](Cc1nc(-c2nn[nH]n2)cs1)C1CCCC1 ZINC001602718325 1175370421 /nfs/dbraw/zinc/37/04/21/1175370421.db2.gz RJVQQHCJVUHQGR-UHFFFAOYSA-N 1 2 288.380 1.701 20 30 CDEDLO C#CC[N@@H+](Cc1nc(-c2nn[nH]n2)cs1)C1CCCC1 ZINC001602718325 1175370427 /nfs/dbraw/zinc/37/04/27/1175370427.db2.gz RJVQQHCJVUHQGR-UHFFFAOYSA-N 1 2 288.380 1.701 20 30 CDEDLO CC[N@H+](CCC#N)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821207728 606906905 /nfs/dbraw/zinc/90/69/05/606906905.db2.gz TWOZWVNRGZOLRF-ZDUSSCGKSA-N 1 2 286.339 1.136 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821207728 606906906 /nfs/dbraw/zinc/90/69/06/606906906.db2.gz TWOZWVNRGZOLRF-ZDUSSCGKSA-N 1 2 286.339 1.136 20 30 CDEDLO CC[C@H](O)CNN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000811655842 617226684 /nfs/dbraw/zinc/22/66/84/617226684.db2.gz AHHDBTSOUKQUCP-AWEZNQCLSA-N 1 2 258.325 1.567 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC000950810160 612991182 /nfs/dbraw/zinc/99/11/82/612991182.db2.gz DJCCUHPZNCRFKC-KRWDZBQOSA-N 1 2 298.386 1.546 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cccc(CC)n2)C1 ZINC000950522566 612992198 /nfs/dbraw/zinc/99/21/98/612992198.db2.gz OSNKIPADCJSMKY-UHFFFAOYSA-N 1 2 285.391 1.814 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2ccc(C)s2)CC1 ZINC000980639194 613157765 /nfs/dbraw/zinc/15/77/65/613157765.db2.gz YBCVEPNDGSIOND-UHFFFAOYSA-N 1 2 262.378 1.838 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2ccc(C)s2)CC1 ZINC000980639194 613157766 /nfs/dbraw/zinc/15/77/66/613157766.db2.gz YBCVEPNDGSIOND-UHFFFAOYSA-N 1 2 262.378 1.838 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[NH+](CC=C(C)C)CC2)cn1 ZINC000957381434 613169990 /nfs/dbraw/zinc/16/99/90/613169990.db2.gz PWYYRELTOHBYTL-UHFFFAOYSA-N 1 2 283.375 1.787 20 30 CDEDLO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971575340 613284743 /nfs/dbraw/zinc/28/47/43/613284743.db2.gz DHNQXWVBWVABQW-NXEZZACHSA-N 1 2 282.281 1.996 20 30 CDEDLO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971575340 613284744 /nfs/dbraw/zinc/28/47/44/613284744.db2.gz DHNQXWVBWVABQW-NXEZZACHSA-N 1 2 282.281 1.996 20 30 CDEDLO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000971575340 613284745 /nfs/dbraw/zinc/28/47/45/613284745.db2.gz DHNQXWVBWVABQW-NXEZZACHSA-N 1 2 282.281 1.996 20 30 CDEDLO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000971575340 613284746 /nfs/dbraw/zinc/28/47/46/613284746.db2.gz DHNQXWVBWVABQW-NXEZZACHSA-N 1 2 282.281 1.996 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ncoc2CC)C1 ZINC000949803656 613298248 /nfs/dbraw/zinc/29/82/48/613298248.db2.gz IGVGYTRILYPSRM-UHFFFAOYSA-N 1 2 277.368 1.959 20 30 CDEDLO C=C(C)C[NH+]1CC([C@@H](C)NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC000970861290 613300438 /nfs/dbraw/zinc/30/04/38/613300438.db2.gz NUIPUVNZNMFFNP-LLVKDONJSA-N 1 2 299.378 1.584 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2nc(C)c(C)s2)C(C)(C)C1 ZINC000977620195 613301602 /nfs/dbraw/zinc/30/16/02/613301602.db2.gz VZKXKXLEHLQNSF-LBPRGKRZSA-N 1 2 291.420 1.833 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2nc(C)c(C)s2)C(C)(C)C1 ZINC000977620195 613301604 /nfs/dbraw/zinc/30/16/04/613301604.db2.gz VZKXKXLEHLQNSF-LBPRGKRZSA-N 1 2 291.420 1.833 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(C(C)C)n[nH]2)CC1 ZINC000950638562 613320005 /nfs/dbraw/zinc/32/00/05/613320005.db2.gz WDAXDCABVWXWKF-UHFFFAOYSA-N 1 2 276.384 1.867 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc3nccnc3c2)CC1 ZINC000957584755 613320934 /nfs/dbraw/zinc/32/09/34/613320934.db2.gz ZIRCXJBLHDTATA-UHFFFAOYSA-N 1 2 296.374 1.964 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnn3ncccc23)CC1 ZINC000948792189 613321733 /nfs/dbraw/zinc/32/17/33/613321733.db2.gz CHZCKDVQLGZKBB-UHFFFAOYSA-N 1 2 285.351 1.063 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2c(C)n[nH]c2C)C1 ZINC000970597023 613371760 /nfs/dbraw/zinc/37/17/60/613371760.db2.gz OORINTFVWUKQBV-SECBINFHSA-N 1 2 296.802 1.829 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2nonc2C)C1 ZINC000970973725 613372063 /nfs/dbraw/zinc/37/20/63/613372063.db2.gz WYVMIEKRHHECGR-MRVPVSSYSA-N 1 2 284.747 1.181 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2c(C)n[nH]c2C)C1 ZINC000970597025 613372442 /nfs/dbraw/zinc/37/24/42/613372442.db2.gz OORINTFVWUKQBV-VIFPVBQESA-N 1 2 296.802 1.829 20 30 CDEDLO C=C(Cl)CN1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000949428045 613374560 /nfs/dbraw/zinc/37/45/60/613374560.db2.gz NLQZQHTZSAHMLV-UHFFFAOYSA-N 1 2 296.802 1.249 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H]2CCCC2(F)F)CC1 ZINC000949859056 613563143 /nfs/dbraw/zinc/56/31/43/613563143.db2.gz IGKXEWYNUUAIBO-CYBMUJFWSA-N 1 2 284.350 1.979 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)C(C)C)C2)C1 ZINC000972582673 613570244 /nfs/dbraw/zinc/57/02/44/613570244.db2.gz PRBGDXZWHUFYOI-RDJZCZTQSA-N 1 2 292.423 1.605 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)C(C)C)C2)C1 ZINC000972582673 613570246 /nfs/dbraw/zinc/57/02/46/613570246.db2.gz PRBGDXZWHUFYOI-RDJZCZTQSA-N 1 2 292.423 1.605 20 30 CDEDLO CC#CC[N@@H+]1C[C@H](NC(=O)c2ncccc2O)C(C)(C)C1 ZINC000974492698 613624374 /nfs/dbraw/zinc/62/43/74/613624374.db2.gz UCRNHJRNTYHNER-ZDUSSCGKSA-N 1 2 287.363 1.251 20 30 CDEDLO CC#CC[N@H+]1C[C@H](NC(=O)c2ncccc2O)C(C)(C)C1 ZINC000974492698 613624378 /nfs/dbraw/zinc/62/43/78/613624378.db2.gz UCRNHJRNTYHNER-ZDUSSCGKSA-N 1 2 287.363 1.251 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCO[C@@H]2C)C1 ZINC000949963010 613653430 /nfs/dbraw/zinc/65/34/30/613653430.db2.gz ONWLCFQUSNGMMR-TZMCWYRMSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCC2(F)F)C1 ZINC000950601782 613654780 /nfs/dbraw/zinc/65/47/80/613654780.db2.gz VOAWQGSBNVITQH-LLVKDONJSA-N 1 2 258.312 1.750 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCO[C@@H]2C(C)C)C1 ZINC000950487102 613655392 /nfs/dbraw/zinc/65/53/92/613655392.db2.gz RTJPXSCVOOWINX-LSDHHAIUSA-N 1 2 280.412 1.766 20 30 CDEDLO C=CC[N@@H+]1CCCN(C(=O)c2cncs2)CC1 ZINC000980780013 613699262 /nfs/dbraw/zinc/69/92/62/613699262.db2.gz ZRFYAUPCKCXRCB-UHFFFAOYSA-N 1 2 251.355 1.477 20 30 CDEDLO C=CC[N@H+]1CCCN(C(=O)c2cncs2)CC1 ZINC000980780013 613699263 /nfs/dbraw/zinc/69/92/63/613699263.db2.gz ZRFYAUPCKCXRCB-UHFFFAOYSA-N 1 2 251.355 1.477 20 30 CDEDLO C=CC[N@H+]1CCCN(C(=O)c2ncccc2O)CC1 ZINC000981027526 613699876 /nfs/dbraw/zinc/69/98/76/613699876.db2.gz ZPVYUUIPJNXSLZ-UHFFFAOYSA-N 1 2 261.325 1.121 20 30 CDEDLO C=CC[N@@H+]1CCCN(C(=O)c2ncccc2O)CC1 ZINC000981027526 613699877 /nfs/dbraw/zinc/69/98/77/613699877.db2.gz ZPVYUUIPJNXSLZ-UHFFFAOYSA-N 1 2 261.325 1.121 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2CCCOC2)CC1 ZINC000957682783 613708751 /nfs/dbraw/zinc/70/87/51/613708751.db2.gz ARLJMYGYBHFDKD-ZDUSSCGKSA-N 1 2 252.358 1.133 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000949406028 613708772 /nfs/dbraw/zinc/70/87/72/613708772.db2.gz GKSDHYAKGKKHMG-LSDHHAIUSA-N 1 2 278.396 1.664 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2Oc3ccccc3[C@H]2C)CC1 ZINC000957918206 613711902 /nfs/dbraw/zinc/71/19/02/613711902.db2.gz XBFRJKIQKWBKDV-CZUORRHYSA-N 1 2 286.375 1.881 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CC[C@H](CC)O2)CC1 ZINC000948603258 613713201 /nfs/dbraw/zinc/71/32/01/613713201.db2.gz BBMSBYLOCIYWGS-QWHCGFSZSA-N 1 2 252.358 1.274 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2nc(C)c(C)nc2C)CC1 ZINC000949214325 613718743 /nfs/dbraw/zinc/71/87/43/613718743.db2.gz OQHGPTSEIHGMKO-UHFFFAOYSA-N 1 2 274.368 1.346 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnn(C)c2C2CC2)CC1 ZINC000957908675 613718769 /nfs/dbraw/zinc/71/87/69/613718769.db2.gz FXNGZHRFTAOUBQ-UHFFFAOYSA-N 1 2 274.368 1.241 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC3(C)C)C2)C1 ZINC000972509186 613723652 /nfs/dbraw/zinc/72/36/52/613723652.db2.gz BDJMUSVCTRZWQQ-YOEHRIQHSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC3(C)C)C2)C1 ZINC000972509186 613723653 /nfs/dbraw/zinc/72/36/53/613723653.db2.gz BDJMUSVCTRZWQQ-YOEHRIQHSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC34CCC4)C2)C1 ZINC000972576141 613723752 /nfs/dbraw/zinc/72/37/52/613723752.db2.gz AIOSOLZMYZOERV-YOEHRIQHSA-N 1 2 290.407 1.666 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC34CCC4)C2)C1 ZINC000972576141 613723753 /nfs/dbraw/zinc/72/37/53/613723753.db2.gz AIOSOLZMYZOERV-YOEHRIQHSA-N 1 2 290.407 1.666 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C3CCC3)C2)C1 ZINC000972431356 613723940 /nfs/dbraw/zinc/72/39/40/613723940.db2.gz PSLDXRMTUHNXKD-PBHICJAKSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C3CCC3)C2)C1 ZINC000972431356 613723944 /nfs/dbraw/zinc/72/39/44/613723944.db2.gz PSLDXRMTUHNXKD-PBHICJAKSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC3(F)F)C2)C1 ZINC000972373453 613726213 /nfs/dbraw/zinc/72/62/13/613726213.db2.gz KVLFGMFLSQJMRX-WCQYABFASA-N 1 2 286.322 1.131 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC3(F)F)C2)C1 ZINC000972373453 613726214 /nfs/dbraw/zinc/72/62/14/613726214.db2.gz KVLFGMFLSQJMRX-WCQYABFASA-N 1 2 286.322 1.131 20 30 CDEDLO C=CC[N@H+](CN1C[C@H](C)[C@@H](C)C1=O)[C@H](C)COC ZINC000853535178 617415582 /nfs/dbraw/zinc/41/55/82/617415582.db2.gz QGYREWVILPYXTQ-YNEHKIRRSA-N 1 2 254.374 1.581 20 30 CDEDLO C=CC[N@@H+](CN1C[C@H](C)[C@@H](C)C1=O)[C@H](C)COC ZINC000853535178 617415587 /nfs/dbraw/zinc/41/55/87/617415587.db2.gz QGYREWVILPYXTQ-YNEHKIRRSA-N 1 2 254.374 1.581 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1c2c(nn1C)CCSC2 ZINC000894470344 618906371 /nfs/dbraw/zinc/90/63/71/618906371.db2.gz UZPOPQXFBNRNOL-SNVBAGLBSA-N 1 2 264.398 1.991 20 30 CDEDLO C=CCC[C@H]([NH2+]C1CCS(=O)CC1)C(=O)OCC ZINC000894759524 619042874 /nfs/dbraw/zinc/04/28/74/619042874.db2.gz ZFVAPWILTOERCK-LASWEOPPSA-N 1 2 273.398 1.385 20 30 CDEDLO C#CCCCCCC[NH+]1CCN(Cc2n[nH]c(C)n2)CC1 ZINC000895263597 619505148 /nfs/dbraw/zinc/50/51/48/619505148.db2.gz VNPMTZALCILJNS-UHFFFAOYSA-N 1 2 289.427 1.814 20 30 CDEDLO CN(CCO)c1ccc(C=[NH+]Nc2cncnc2)cc1 ZINC000794978988 619505950 /nfs/dbraw/zinc/50/59/50/619505950.db2.gz QMGGOKUWQLNZEM-UHFFFAOYSA-N 1 2 271.324 1.351 20 30 CDEDLO C#C[C@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C(C)C ZINC000897652776 621051245 /nfs/dbraw/zinc/05/12/45/621051245.db2.gz IBHVGBMPRMESMM-SMDDNHRTSA-N 1 2 274.368 1.564 20 30 CDEDLO C#C[C@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C(C)C ZINC000897652776 621051249 /nfs/dbraw/zinc/05/12/49/621051249.db2.gz IBHVGBMPRMESMM-SMDDNHRTSA-N 1 2 274.368 1.564 20 30 CDEDLO C=CCC1(O)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000899590727 622317234 /nfs/dbraw/zinc/31/72/34/622317234.db2.gz GHNUJXPFYLGRCK-ZDUSSCGKSA-N 1 2 289.379 1.375 20 30 CDEDLO CC1=C(C(=O)C=Cc2c[nH+]cn2C)[C@H](C)N2NN=NC2=N1 ZINC000901503600 624305880 /nfs/dbraw/zinc/30/58/80/624305880.db2.gz FDDVGTGHHUVANB-WBSSQXGSSA-N 1 2 285.311 1.222 20 30 CDEDLO Cc1[nH]c(/C=C2\CCc3nn(C)cc3C2=O)[nH+]c1C ZINC000901506088 624307859 /nfs/dbraw/zinc/30/78/59/624307859.db2.gz BAULJYAHUOGNRL-UXBLZVDNSA-N 1 2 256.309 1.973 20 30 CDEDLO C[C@H]1/C(=C/c2ncc(C[NH+](C)C)s2)C(=O)c2ncnn21 ZINC000905087252 626603553 /nfs/dbraw/zinc/60/35/53/626603553.db2.gz WTLNEFFSUWLVHZ-HDPPJLHVSA-N 1 2 289.364 1.637 20 30 CDEDLO C#CCSCC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000913816981 630804207 /nfs/dbraw/zinc/80/42/07/630804207.db2.gz DWNGXKQXGTUYPK-AWEZNQCLSA-N 1 2 292.379 1.665 20 30 CDEDLO O=c1[nH]cc2[nH]c([NH2+]CC#Cc3ccccc3)ccc1-2 ZINC001170423700 1162382839 /nfs/dbraw/zinc/38/28/39/1162382839.db2.gz FKTKVGLDXWFZNN-UHFFFAOYSA-N 1 2 263.300 1.789 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C)CCC2)[C@H](O)C1 ZINC001090492449 1162702022 /nfs/dbraw/zinc/70/20/22/1162702022.db2.gz JOVLMZHUXZUKDC-NWDGAFQWSA-N 1 2 286.803 1.481 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C)CCC2)[C@H](O)C1 ZINC001090492449 1162702028 /nfs/dbraw/zinc/70/20/28/1162702028.db2.gz JOVLMZHUXZUKDC-NWDGAFQWSA-N 1 2 286.803 1.481 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)COC)CC[C@@H]1C ZINC001131755241 1163031597 /nfs/dbraw/zinc/03/15/97/1163031597.db2.gz CFVVRFZXBKZMFS-QWRGUYRKSA-N 1 2 260.765 1.354 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)COC)CC[C@@H]1C ZINC001131755241 1163031604 /nfs/dbraw/zinc/03/16/04/1163031604.db2.gz CFVVRFZXBKZMFS-QWRGUYRKSA-N 1 2 260.765 1.354 20 30 CDEDLO C#CCOCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001132042374 1163150967 /nfs/dbraw/zinc/15/09/67/1163150967.db2.gz UHGQBYPENSHIAG-UONOGXRCSA-N 1 2 298.814 1.748 20 30 CDEDLO C#CCOCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=C)Cl)C1 ZINC001132042374 1163150969 /nfs/dbraw/zinc/15/09/69/1163150969.db2.gz UHGQBYPENSHIAG-UONOGXRCSA-N 1 2 298.814 1.748 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)C(C)(C)COC)CC1 ZINC001113106743 1162101387 /nfs/dbraw/zinc/10/13/87/1162101387.db2.gz HBZIWTDZFMBHRW-UHFFFAOYSA-N 1 2 284.400 1.006 20 30 CDEDLO Cc1nc(NCC(C)(C)CN(C)C(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001113410436 1162172964 /nfs/dbraw/zinc/17/29/64/1162172964.db2.gz CUWYYKSCPGUQQY-NSHDSACASA-N 1 2 289.383 1.841 20 30 CDEDLO C#CCCCCCC(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001132404081 1163270359 /nfs/dbraw/zinc/27/03/59/1163270359.db2.gz PJHULAFYSYZIBG-LBPRGKRZSA-N 1 2 294.424 1.889 20 30 CDEDLO C#Cc1ccc(C(=O)NCC2([NH+]3CCCC3)COC2)cc1 ZINC001188740027 1164369375 /nfs/dbraw/zinc/36/93/75/1164369375.db2.gz TWTFSIQGEZZXFB-UHFFFAOYSA-N 1 2 284.359 1.263 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2n[nH]c3cccc(F)c32)CC1 ZINC001155280082 1167116194 /nfs/dbraw/zinc/11/61/94/1167116194.db2.gz HADZFIAWDGBLOV-UHFFFAOYSA-N 1 2 288.326 1.646 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCN1CCC[C@@](C)(C#N)C1 ZINC001653855797 1171567959 /nfs/dbraw/zinc/56/79/59/1171567959.db2.gz KJLALADFIZJRNZ-KBPBESRZSA-N 1 2 251.374 1.333 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCN1CCC[C@@](C)(C#N)C1 ZINC001653855797 1171567979 /nfs/dbraw/zinc/56/79/79/1171567979.db2.gz KJLALADFIZJRNZ-KBPBESRZSA-N 1 2 251.374 1.333 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000228664089 1175779009 /nfs/dbraw/zinc/77/90/09/1175779009.db2.gz SRNTVJZFCYXVOD-NSHDSACASA-N 1 2 277.280 1.176 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000228664089 1175779011 /nfs/dbraw/zinc/77/90/11/1175779011.db2.gz SRNTVJZFCYXVOD-NSHDSACASA-N 1 2 277.280 1.176 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CC1(F)F ZINC001714585223 1179243744 /nfs/dbraw/zinc/24/37/44/1179243744.db2.gz VZPHEVWWCIVZBG-SECBINFHSA-N 1 2 266.719 1.832 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CC1(F)F ZINC001714585223 1179243752 /nfs/dbraw/zinc/24/37/52/1179243752.db2.gz VZPHEVWWCIVZBG-SECBINFHSA-N 1 2 266.719 1.832 20 30 CDEDLO CC(C)(C)C#CC(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC001714920576 1179452787 /nfs/dbraw/zinc/45/27/87/1179452787.db2.gz YJVRZKSLMXBHRX-GFCCVEGCSA-N 1 2 254.349 1.586 20 30 CDEDLO CC(C)(C)C#CC(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC001714920576 1179452784 /nfs/dbraw/zinc/45/27/84/1179452784.db2.gz YJVRZKSLMXBHRX-GFCCVEGCSA-N 1 2 254.349 1.586 20 30 CDEDLO Cc1noc([C@H](C)[NH2+][C@@H](C)CNC(=O)C#CC(C)C)n1 ZINC001752870455 1184944673 /nfs/dbraw/zinc/94/46/73/1184944673.db2.gz WLCGHUOWDRRCOQ-QWRGUYRKSA-N 1 2 278.356 1.193 20 30 CDEDLO C=CCCCC(=O)N(C)CC[NH2+]Cc1cnsn1 ZINC001753225878 1185123760 /nfs/dbraw/zinc/12/37/60/1185123760.db2.gz GFDROQAIKCGDIA-UHFFFAOYSA-N 1 2 268.386 1.442 20 30 CDEDLO C=CCN1CC[NH+](CCN(C)C(=O)CC[C@@H](C)OC)CC1 ZINC001753342205 1185163451 /nfs/dbraw/zinc/16/34/51/1185163451.db2.gz OYZZISLGHNIKOZ-OAHLLOKOSA-N 1 2 297.443 1.064 20 30 CDEDLO C=CCOCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](F)CC ZINC001753418998 1185195497 /nfs/dbraw/zinc/19/54/97/1185195497.db2.gz YEJUEGQQESXGGP-AVGNSLFASA-N 1 2 270.348 1.222 20 30 CDEDLO C=CCOCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](F)CC ZINC001753418998 1185195500 /nfs/dbraw/zinc/19/55/00/1185195500.db2.gz YEJUEGQQESXGGP-AVGNSLFASA-N 1 2 270.348 1.222 20 30 CDEDLO C=CC[NH2+]C[C@@H](NC(=O)c1cncc2nc[nH]c21)C1CC1 ZINC001754440038 1185619234 /nfs/dbraw/zinc/61/92/34/1185619234.db2.gz BLPFUPQKZOKIRM-GFCCVEGCSA-N 1 2 285.351 1.242 20 30 CDEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)C2CCCCC2)C1 ZINC001754764002 1185719128 /nfs/dbraw/zinc/71/91/28/1185719128.db2.gz MAYZVGDNGYFFEG-UHFFFAOYSA-N 1 2 266.385 1.306 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)CSC)CCO2 ZINC001755049506 1185799030 /nfs/dbraw/zinc/79/90/30/1185799030.db2.gz MDIOPKOIDAUZIC-CYBMUJFWSA-N 1 2 298.452 1.475 20 30 CDEDLO C[C@H](CNC(=O)C#CC(C)(C)C)[N@H+](C)Cc1ccn(C)n1 ZINC001755299627 1185902816 /nfs/dbraw/zinc/90/28/16/1185902816.db2.gz FKNMTXCJGJZURY-CYBMUJFWSA-N 1 2 290.411 1.406 20 30 CDEDLO C[C@H](CNC(=O)C#CC(C)(C)C)[N@@H+](C)Cc1ccn(C)n1 ZINC001755299627 1185902821 /nfs/dbraw/zinc/90/28/21/1185902821.db2.gz FKNMTXCJGJZURY-CYBMUJFWSA-N 1 2 290.411 1.406 20 30 CDEDLO C=CCC[N@@H+](C)CCN(C(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC001755815027 1186075756 /nfs/dbraw/zinc/07/57/56/1186075756.db2.gz YCBKPKBBQNFXGK-UHFFFAOYSA-N 1 2 278.400 1.697 20 30 CDEDLO C=CCC[N@H+](C)CCN(C(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC001755815027 1186075764 /nfs/dbraw/zinc/07/57/64/1186075764.db2.gz YCBKPKBBQNFXGK-UHFFFAOYSA-N 1 2 278.400 1.697 20 30 CDEDLO C=CC[NH+]1CCN(c2ncnc(Cl)c2C#N)CC1 ZINC001165033479 721865030 /nfs/dbraw/zinc/86/50/30/721865030.db2.gz PXLLNBYUPNZMFY-UHFFFAOYSA-N 1 2 263.732 1.310 20 30 CDEDLO C=CC[NH+]1CCN(c2nc(Cl)nc3c2COC3)CC1 ZINC001165031755 721865451 /nfs/dbraw/zinc/86/54/51/721865451.db2.gz UKKMBFLBSOFALS-UHFFFAOYSA-N 1 2 280.759 1.468 20 30 CDEDLO C=CC[NH+]1CCN(c2nccc(Cl)c2C#N)CC1 ZINC001165031267 721865524 /nfs/dbraw/zinc/86/55/24/721865524.db2.gz BHHPODFQLGMGGA-UHFFFAOYSA-N 1 2 262.744 1.915 20 30 CDEDLO COc1ccc(O)c(/C=N/CC[NH+]2CCOCC2)c1 ZINC000005661247 1164573941 /nfs/dbraw/zinc/57/39/41/1164573941.db2.gz ZBBZYDAVDZYXLL-RVDMUPIBSA-N 1 2 264.325 1.152 20 30 CDEDLO Cc1cc(C)c(C(=O)NC[C@H]2CCN(CC#N)C2)c(C)[nH+]1 ZINC001028701014 758867461 /nfs/dbraw/zinc/86/74/61/758867461.db2.gz RXKLRXVPICWWFR-CQSZACIVSA-N 1 2 286.379 1.582 20 30 CDEDLO C=CCC[C@H](O)C[NH2+][C@@H](C[C@H]1CCCO1)C(=O)OC ZINC000886951121 758886072 /nfs/dbraw/zinc/88/60/72/758886072.db2.gz XEOKEQKWPXEYCS-XQQFMLRXSA-N 1 2 271.357 1.014 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccn(-c3ccccc3)n2)C1 ZINC001030602689 758886677 /nfs/dbraw/zinc/88/66/77/758886677.db2.gz DYIQPRSYTLIFHO-UHFFFAOYSA-N 1 2 294.358 1.310 20 30 CDEDLO C=CC[N@@H+](C)CN1C(=O)[C@@]2(CCCO2)[C@@H]1C(C)C ZINC000840046829 758887065 /nfs/dbraw/zinc/88/70/65/758887065.db2.gz HHUXWEXUGDJQJB-GXTWGEPZSA-N 1 2 252.358 1.478 20 30 CDEDLO C=CC[N@H+](C)CN1C(=O)[C@@]2(CCCO2)[C@@H]1C(C)C ZINC000840046829 758887074 /nfs/dbraw/zinc/88/70/74/758887074.db2.gz HHUXWEXUGDJQJB-GXTWGEPZSA-N 1 2 252.358 1.478 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2CCOCC2)C1 ZINC001032868981 758926455 /nfs/dbraw/zinc/92/64/55/758926455.db2.gz XFZDDTZCIYJHPK-ZDUSSCGKSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2CCOCC2)C1 ZINC001032868981 758926474 /nfs/dbraw/zinc/92/64/74/758926474.db2.gz XFZDDTZCIYJHPK-ZDUSSCGKSA-N 1 2 286.803 1.698 20 30 CDEDLO C[C@@H](C#N)N(C)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000886404675 758987844 /nfs/dbraw/zinc/98/78/44/758987844.db2.gz ASSNAGYEUNASPZ-NSHDSACASA-N 1 2 293.392 1.207 20 30 CDEDLO C[C@@H](C#N)N(C)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000886404675 758987854 /nfs/dbraw/zinc/98/78/54/758987854.db2.gz ASSNAGYEUNASPZ-NSHDSACASA-N 1 2 293.392 1.207 20 30 CDEDLO C=CCC1(C(=O)NCC[N@H+]2CCOC[C@@H]2CC)CCC1 ZINC000874705969 1165657124 /nfs/dbraw/zinc/65/71/24/1165657124.db2.gz IXVZLXRXGICZKY-AWEZNQCLSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CCC1(C(=O)NCC[N@@H+]2CCOC[C@@H]2CC)CCC1 ZINC000874705969 1165657127 /nfs/dbraw/zinc/65/71/27/1165657127.db2.gz IXVZLXRXGICZKY-AWEZNQCLSA-N 1 2 280.412 1.960 20 30 CDEDLO CC(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001037986362 770340956 /nfs/dbraw/zinc/34/09/56/770340956.db2.gz LZPJUBBOMIWIIY-HNNXBMFYSA-N 1 2 276.767 1.902 20 30 CDEDLO CC(=O)NC[C@@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001037986362 770340978 /nfs/dbraw/zinc/34/09/78/770340978.db2.gz LZPJUBBOMIWIIY-HNNXBMFYSA-N 1 2 276.767 1.902 20 30 CDEDLO COC(=O)C1([NH2+]C[C@@H](O)CC2(C#N)CCC2)CCCC1 ZINC000886087449 771248854 /nfs/dbraw/zinc/24/88/54/771248854.db2.gz UDBPDTUTTTZYSK-LBPRGKRZSA-N 1 2 280.368 1.507 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cc[nH]c2)C1 ZINC001007389658 768852287 /nfs/dbraw/zinc/85/22/87/768852287.db2.gz FESHYLLTXCKHAZ-GFCCVEGCSA-N 1 2 267.760 1.961 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cc[nH]c2)C1 ZINC001007389658 768852288 /nfs/dbraw/zinc/85/22/88/768852288.db2.gz FESHYLLTXCKHAZ-GFCCVEGCSA-N 1 2 267.760 1.961 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1CCC(F)CC1 ZINC001038671925 768853024 /nfs/dbraw/zinc/85/30/24/768853024.db2.gz SWSGXJOYGKWAGQ-WXRRBKDZSA-N 1 2 252.333 1.338 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1CCC(F)CC1 ZINC001038671925 768853025 /nfs/dbraw/zinc/85/30/25/768853025.db2.gz SWSGXJOYGKWAGQ-WXRRBKDZSA-N 1 2 252.333 1.338 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCOC2)C1 ZINC001032967492 768862562 /nfs/dbraw/zinc/86/25/62/768862562.db2.gz MPMTUGAUCZYRQI-CHWSQXEVSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCOC2)C1 ZINC001032967492 768862563 /nfs/dbraw/zinc/86/25/63/768862563.db2.gz MPMTUGAUCZYRQI-CHWSQXEVSA-N 1 2 286.803 1.698 20 30 CDEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)c2cnns2)[C@@H]1C ZINC000993100188 768868717 /nfs/dbraw/zinc/86/87/17/768868717.db2.gz YQZCLTIPWZZCSD-VHSXEESVSA-N 1 2 266.370 1.307 20 30 CDEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cnns2)[C@@H]1C ZINC000993100188 768868719 /nfs/dbraw/zinc/86/87/19/768868719.db2.gz YQZCLTIPWZZCSD-VHSXEESVSA-N 1 2 266.370 1.307 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@@H](NCC#N)C3)ccn12 ZINC001022080979 768872363 /nfs/dbraw/zinc/87/23/63/768872363.db2.gz TULFJUWPHGXOET-BETUJISGSA-N 1 2 283.335 1.017 20 30 CDEDLO Cn1c[nH+]cc1CN=Nc1nccnc1C1CCC1 ZINC000807991278 768883666 /nfs/dbraw/zinc/88/36/66/768883666.db2.gz KNFRBUGUBIKOOT-UHFFFAOYSA-N 1 2 256.313 1.924 20 30 CDEDLO C#CC[NH2+]C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000996624579 768883933 /nfs/dbraw/zinc/88/39/33/768883933.db2.gz YSWVQCWLXHJDBR-SECBINFHSA-N 1 2 266.238 1.101 20 30 CDEDLO C#CC[NH2+]C1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000996624579 768883936 /nfs/dbraw/zinc/88/39/36/768883936.db2.gz YSWVQCWLXHJDBR-SECBINFHSA-N 1 2 266.238 1.101 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc3c[nH]nc32)C1 ZINC001030772941 768887971 /nfs/dbraw/zinc/88/79/71/768887971.db2.gz YOXQRLGBNMWPST-UHFFFAOYSA-N 1 2 270.336 1.553 20 30 CDEDLO CCn1cc(C[N@H+](Cn2cccc(C#N)c2=O)C(C)C)cn1 ZINC000844737005 768895002 /nfs/dbraw/zinc/89/50/02/768895002.db2.gz KGYAZYYTYLWYFF-UHFFFAOYSA-N 1 2 299.378 1.804 20 30 CDEDLO CCn1cc(C[N@@H+](Cn2cccc(C#N)c2=O)C(C)C)cn1 ZINC000844737005 768895003 /nfs/dbraw/zinc/89/50/03/768895003.db2.gz KGYAZYYTYLWYFF-UHFFFAOYSA-N 1 2 299.378 1.804 20 30 CDEDLO C=CCC(F)(F)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000819635904 768941610 /nfs/dbraw/zinc/94/16/10/768941610.db2.gz HHIAZDAEQXNDJE-UHFFFAOYSA-N 1 2 290.354 1.767 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(F)cccc1Cl ZINC001038944324 769053048 /nfs/dbraw/zinc/05/30/48/769053048.db2.gz AWFDHRSEURIADX-SNVBAGLBSA-N 1 2 280.730 1.916 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(F)cccc1Cl ZINC001038944324 769053063 /nfs/dbraw/zinc/05/30/63/769053063.db2.gz AWFDHRSEURIADX-SNVBAGLBSA-N 1 2 280.730 1.916 20 30 CDEDLO N#CCCNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000787351297 769072592 /nfs/dbraw/zinc/07/25/92/769072592.db2.gz CFNRHMZXCPUIHE-UHFFFAOYSA-N 1 2 269.308 1.585 20 30 CDEDLO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1[nH]nc(C)c1C ZINC001024362902 769087819 /nfs/dbraw/zinc/08/78/19/769087819.db2.gz RGPGNAXFGXEDHY-CYBMUJFWSA-N 1 2 276.384 1.797 20 30 CDEDLO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1[nH]nc(C)c1C ZINC001024362902 769087831 /nfs/dbraw/zinc/08/78/31/769087831.db2.gz RGPGNAXFGXEDHY-CYBMUJFWSA-N 1 2 276.384 1.797 20 30 CDEDLO CC#CCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883771425 769130260 /nfs/dbraw/zinc/13/02/60/769130260.db2.gz YWGBMSLLQPCCGS-HNNXBMFYSA-N 1 2 282.347 1.947 20 30 CDEDLO COC(=O)C1=C(C)O[C@H](C[N@@H+]2CCC[C@H](C#N)C2)C1 ZINC000932150323 769279243 /nfs/dbraw/zinc/27/92/43/769279243.db2.gz GGZNWOUDZQVEJG-NEPJUHHUSA-N 1 2 264.325 1.458 20 30 CDEDLO COC(=O)C1=C(C)O[C@H](C[N@H+]2CCC[C@H](C#N)C2)C1 ZINC000932150323 769279264 /nfs/dbraw/zinc/27/92/64/769279264.db2.gz GGZNWOUDZQVEJG-NEPJUHHUSA-N 1 2 264.325 1.458 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC001039018633 769339101 /nfs/dbraw/zinc/33/91/01/769339101.db2.gz FCKGCJRXRAJGJG-ZDUSSCGKSA-N 1 2 298.346 1.497 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC001039018633 769339114 /nfs/dbraw/zinc/33/91/14/769339114.db2.gz FCKGCJRXRAJGJG-ZDUSSCGKSA-N 1 2 298.346 1.497 20 30 CDEDLO C=C(C)CC[NH+]1CC(NC(=O)c2cn(C)c(C)cc2=O)C1 ZINC001030482586 769399085 /nfs/dbraw/zinc/39/90/85/769399085.db2.gz BPGLGOJITKFZSO-UHFFFAOYSA-N 1 2 289.379 1.074 20 30 CDEDLO C#Cc1cccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000837104914 769414579 /nfs/dbraw/zinc/41/45/79/769414579.db2.gz BEAUGEFGVQAEES-HNNXBMFYSA-N 1 2 279.343 1.743 20 30 CDEDLO C#CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCC1 ZINC000882532470 769426421 /nfs/dbraw/zinc/42/64/21/769426421.db2.gz OTHCFERZWBXKMD-VXGBXAGGSA-N 1 2 257.337 1.586 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(F)s2)C1 ZINC001035620068 769500161 /nfs/dbraw/zinc/50/01/61/769500161.db2.gz DAFPAWKZVUVKLP-NSHDSACASA-N 1 2 296.367 1.341 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(F)s2)C1 ZINC001035620068 769500188 /nfs/dbraw/zinc/50/01/88/769500188.db2.gz DAFPAWKZVUVKLP-NSHDSACASA-N 1 2 296.367 1.341 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1CC ZINC001032532061 769629073 /nfs/dbraw/zinc/62/90/73/769629073.db2.gz TURZCMMHUSPUNY-XQLPTFJDSA-N 1 2 276.380 1.110 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1CC ZINC001032532061 769629089 /nfs/dbraw/zinc/62/90/89/769629089.db2.gz TURZCMMHUSPUNY-XQLPTFJDSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(-n2ccnc2)c1 ZINC001038865912 769661873 /nfs/dbraw/zinc/66/18/73/769661873.db2.gz LEWHLARJZGSIQH-MRXNPFEDSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(-n2ccnc2)c1 ZINC001038865912 769661885 /nfs/dbraw/zinc/66/18/85/769661885.db2.gz LEWHLARJZGSIQH-MRXNPFEDSA-N 1 2 294.358 1.310 20 30 CDEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2[C@@H](CC)C(N)=O)CC1 ZINC001038667591 769737666 /nfs/dbraw/zinc/73/76/66/769737666.db2.gz NUZMPNHGWABOFX-KGLIPLIRSA-N 1 2 293.411 1.187 20 30 CDEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2[C@@H](CC)C(N)=O)CC1 ZINC001038667591 769737684 /nfs/dbraw/zinc/73/76/84/769737684.db2.gz NUZMPNHGWABOFX-KGLIPLIRSA-N 1 2 293.411 1.187 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)C)C[C@@H]21 ZINC001074387242 769809810 /nfs/dbraw/zinc/80/98/10/769809810.db2.gz HWHARYKRIPXSBI-KBPBESRZSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)C)C[C@@H]21 ZINC001074387242 769809815 /nfs/dbraw/zinc/80/98/15/769809815.db2.gz HWHARYKRIPXSBI-KBPBESRZSA-N 1 2 280.412 1.910 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2c1CCCC2 ZINC001032450943 769862089 /nfs/dbraw/zinc/86/20/89/769862089.db2.gz FKPRBTPFPBXHBB-GJZGRUSLSA-N 1 2 297.402 1.746 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2c1CCCC2 ZINC001032450943 769862090 /nfs/dbraw/zinc/86/20/90/769862090.db2.gz FKPRBTPFPBXHBB-GJZGRUSLSA-N 1 2 297.402 1.746 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccns2)C1 ZINC001007449904 769897707 /nfs/dbraw/zinc/89/77/07/769897707.db2.gz QCQSCXSNSNVEBB-NSHDSACASA-N 1 2 263.366 1.361 20 30 CDEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccns2)C1 ZINC001007449904 769897708 /nfs/dbraw/zinc/89/77/08/769897708.db2.gz QCQSCXSNSNVEBB-NSHDSACASA-N 1 2 263.366 1.361 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2cccc3nsnc32)C1 ZINC001044126992 769918663 /nfs/dbraw/zinc/91/86/63/769918663.db2.gz JXPPPVCHSAOHAG-UHFFFAOYSA-N 1 2 288.376 1.634 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CC(C)C)C[C@H]21 ZINC001074148447 769947222 /nfs/dbraw/zinc/94/72/22/769947222.db2.gz VLEHGAQKYOYMBV-HUUCEWRRSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CC(C)C)C[C@H]21 ZINC001074148447 769947262 /nfs/dbraw/zinc/94/72/62/769947262.db2.gz VLEHGAQKYOYMBV-HUUCEWRRSA-N 1 2 280.412 1.910 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC000842884503 769963879 /nfs/dbraw/zinc/96/38/79/769963879.db2.gz RDZAZHFFOPDJTB-UHFFFAOYSA-N 1 2 296.330 1.883 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001035449266 769996543 /nfs/dbraw/zinc/99/65/43/769996543.db2.gz IRFZSHRGJSGGMP-ZNMIVQPWSA-N 1 2 296.411 1.195 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001035449266 769996567 /nfs/dbraw/zinc/99/65/67/769996567.db2.gz IRFZSHRGJSGGMP-ZNMIVQPWSA-N 1 2 296.411 1.195 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001030721155 770045256 /nfs/dbraw/zinc/04/52/56/770045256.db2.gz FCYLIMUXMDKVJV-UHFFFAOYSA-N 1 2 299.378 1.510 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C)c2cccnc2)C1 ZINC001044198677 770070999 /nfs/dbraw/zinc/07/09/99/770070999.db2.gz XCHNFOWXEKVFJC-CYBMUJFWSA-N 1 2 273.380 1.904 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccccc3)C[C@H]21 ZINC001074148444 770214105 /nfs/dbraw/zinc/21/41/05/770214105.db2.gz VIACZIPPNFBEQA-SJORKVTESA-N 1 2 298.386 1.625 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccccc3)C[C@H]21 ZINC001074148444 770214159 /nfs/dbraw/zinc/21/41/59/770214159.db2.gz VIACZIPPNFBEQA-SJORKVTESA-N 1 2 298.386 1.625 20 30 CDEDLO C#CCCCCNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000921441696 770250134 /nfs/dbraw/zinc/25/01/34/770250134.db2.gz SYYHNWZRONIZJJ-AWEZNQCLSA-N 1 2 281.400 1.200 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CCCOC1 ZINC001032705242 770303160 /nfs/dbraw/zinc/30/31/60/770303160.db2.gz ZQQBBHSCNCVWKY-OFQRWUPVSA-N 1 2 276.380 1.112 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CCCOC1 ZINC001032705242 770303172 /nfs/dbraw/zinc/30/31/72/770303172.db2.gz ZQQBBHSCNCVWKY-OFQRWUPVSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(OC)ns1 ZINC001024443624 770313660 /nfs/dbraw/zinc/31/36/60/770313660.db2.gz NDPUVAKOMIWHPE-LLVKDONJSA-N 1 2 293.392 1.369 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(OC)ns1 ZINC001024443624 770313672 /nfs/dbraw/zinc/31/36/72/770313672.db2.gz NDPUVAKOMIWHPE-LLVKDONJSA-N 1 2 293.392 1.369 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1csc(C)n1 ZINC001038628093 770326424 /nfs/dbraw/zinc/32/64/24/770326424.db2.gz MYQAHGXADCSRRM-NSHDSACASA-N 1 2 263.366 1.279 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1csc(C)n1 ZINC001038628093 770326438 /nfs/dbraw/zinc/32/64/38/770326438.db2.gz MYQAHGXADCSRRM-NSHDSACASA-N 1 2 263.366 1.279 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCc2nnc(C3CC3)o2)cc1 ZINC000122197737 770332805 /nfs/dbraw/zinc/33/28/05/770332805.db2.gz KPXUZJQNJDUWJX-UHFFFAOYSA-N 1 2 288.307 1.793 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000383864160 770383727 /nfs/dbraw/zinc/38/37/27/770383727.db2.gz SNZULOPVOLQNGE-CMDGGOBGSA-N 1 2 254.333 1.477 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3C[C@H](NCC#N)C[C@H]3C)ccn12 ZINC000988844149 770456781 /nfs/dbraw/zinc/45/67/81/770456781.db2.gz MVKLYGPPKYGBMK-BXUZGUMPSA-N 1 2 297.362 1.359 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2csnn2)CC1 ZINC001003389033 770471540 /nfs/dbraw/zinc/47/15/40/770471540.db2.gz MFZMTHPHMYMQOA-UHFFFAOYSA-N 1 2 286.788 1.485 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001038635060 770531247 /nfs/dbraw/zinc/53/12/47/770531247.db2.gz SMUOWKVIQPFFCD-DZGCQCFKSA-N 1 2 272.323 1.289 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001038635060 770531282 /nfs/dbraw/zinc/53/12/82/770531282.db2.gz SMUOWKVIQPFFCD-DZGCQCFKSA-N 1 2 272.323 1.289 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001015732023 770858430 /nfs/dbraw/zinc/85/84/30/770858430.db2.gz USQUWZUTCPVCSC-LPWJVIDDSA-N 1 2 284.787 1.497 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001015732023 770858418 /nfs/dbraw/zinc/85/84/18/770858418.db2.gz USQUWZUTCPVCSC-LPWJVIDDSA-N 1 2 284.787 1.497 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)oc1C ZINC001032274878 770861935 /nfs/dbraw/zinc/86/19/35/770861935.db2.gz QCXMWMXKSNSCRN-STQMWFEESA-N 1 2 258.321 1.428 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)oc1C ZINC001032274878 770861937 /nfs/dbraw/zinc/86/19/37/770861937.db2.gz QCXMWMXKSNSCRN-STQMWFEESA-N 1 2 258.321 1.428 20 30 CDEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2snnc2CC)C1 ZINC001007843398 770888549 /nfs/dbraw/zinc/88/85/49/770888549.db2.gz FAAKMFGLGYNMCR-NSHDSACASA-N 1 2 292.408 1.318 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2snnc2CC)C1 ZINC001007843398 770888550 /nfs/dbraw/zinc/88/85/50/770888550.db2.gz FAAKMFGLGYNMCR-NSHDSACASA-N 1 2 292.408 1.318 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CC23CC(OCC)C3)C1 ZINC001030954320 770890830 /nfs/dbraw/zinc/89/08/30/770890830.db2.gz ZETJCFSQDZNBFN-NPCAHTBFSA-N 1 2 276.380 1.015 20 30 CDEDLO C[C@H]1C[NH+](Cn2nc(CC#N)n(C)c2=S)C[C@@H]1C ZINC000794636720 770969796 /nfs/dbraw/zinc/96/97/96/770969796.db2.gz KQGLQCIEURBVLT-UWVGGRQHSA-N 1 2 265.386 1.562 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]nc1C(C)(C)C ZINC001032726691 771030880 /nfs/dbraw/zinc/03/08/80/771030880.db2.gz PCBUTTHVPJPZDT-RYUDHWBXSA-N 1 2 286.379 1.239 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]nc1C(C)(C)C ZINC001032726691 771030887 /nfs/dbraw/zinc/03/08/87/771030887.db2.gz PCBUTTHVPJPZDT-RYUDHWBXSA-N 1 2 286.379 1.239 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1C ZINC001018252542 771046230 /nfs/dbraw/zinc/04/62/30/771046230.db2.gz VVGPRQSSHIGMQJ-CALCHBBNSA-N 1 2 282.387 1.846 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1C ZINC001018252542 771046237 /nfs/dbraw/zinc/04/62/37/771046237.db2.gz VVGPRQSSHIGMQJ-CALCHBBNSA-N 1 2 282.387 1.846 20 30 CDEDLO C#CCOCC[N@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000851728987 771054716 /nfs/dbraw/zinc/05/47/16/771054716.db2.gz GQSHIPBRQGNNTO-CYBMUJFWSA-N 1 2 291.347 1.203 20 30 CDEDLO C#CCOCC[N@@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000851728987 771054722 /nfs/dbraw/zinc/05/47/22/771054722.db2.gz GQSHIPBRQGNNTO-CYBMUJFWSA-N 1 2 291.347 1.203 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCc2cnc(C)nc2)cc1 ZINC000795204673 771075638 /nfs/dbraw/zinc/07/56/38/771075638.db2.gz DGHOCDZKUFTDME-UHFFFAOYSA-N 1 2 272.308 1.631 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC001038794206 771092607 /nfs/dbraw/zinc/09/26/07/771092607.db2.gz DVXOGPJMTYOEDR-BHYGNILZSA-N 1 2 298.386 1.622 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC001038794206 771092612 /nfs/dbraw/zinc/09/26/12/771092612.db2.gz DVXOGPJMTYOEDR-BHYGNILZSA-N 1 2 298.386 1.622 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000824867453 771097667 /nfs/dbraw/zinc/09/76/67/771097667.db2.gz PGPOMTDQTVUANP-UHFFFAOYSA-N 1 2 283.331 1.837 20 30 CDEDLO C=C[C@H](CC)CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000935934322 771123760 /nfs/dbraw/zinc/12/37/60/771123760.db2.gz QIVWXJHPRFPHLP-RBSFLKMASA-N 1 2 280.412 1.910 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3=CCCC3)C[C@H]21 ZINC001074215631 771127443 /nfs/dbraw/zinc/12/74/43/771127443.db2.gz LEVMADZMEVEUHN-CVEARBPZSA-N 1 2 288.391 1.422 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3=CCCC3)C[C@H]21 ZINC001074215631 771127447 /nfs/dbraw/zinc/12/74/47/771127447.db2.gz LEVMADZMEVEUHN-CVEARBPZSA-N 1 2 288.391 1.422 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc[nH]c(=O)c2)C1 ZINC001032995889 771138797 /nfs/dbraw/zinc/13/87/97/771138797.db2.gz FEPAJKMYWBHTEO-GFCCVEGCSA-N 1 2 295.770 1.686 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc[nH]c(=O)c2)C1 ZINC001032995889 771138805 /nfs/dbraw/zinc/13/88/05/771138805.db2.gz FEPAJKMYWBHTEO-GFCCVEGCSA-N 1 2 295.770 1.686 20 30 CDEDLO C#C[C@H]([NH2+]Cc1cc(=O)n2ccsc2n1)[C@H]1CCCO1 ZINC000775794912 771179709 /nfs/dbraw/zinc/17/97/09/771179709.db2.gz UAOFUYSEMUGFRR-NWDGAFQWSA-N 1 2 289.360 1.026 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000795188450 771181465 /nfs/dbraw/zinc/18/14/65/771181465.db2.gz BZSKBWVDTSPXEN-ZDUSSCGKSA-N 1 2 289.354 1.086 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000795188450 771181472 /nfs/dbraw/zinc/18/14/72/771181472.db2.gz BZSKBWVDTSPXEN-ZDUSSCGKSA-N 1 2 289.354 1.086 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCOc2ccccc21 ZINC001032684028 771234832 /nfs/dbraw/zinc/23/48/32/771234832.db2.gz AYNBVGAMIZBGGH-OFQRWUPVSA-N 1 2 296.370 1.471 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCOc2ccccc21 ZINC001032684028 771234839 /nfs/dbraw/zinc/23/48/39/771234839.db2.gz AYNBVGAMIZBGGH-OFQRWUPVSA-N 1 2 296.370 1.471 20 30 CDEDLO CCOc1ccc(O)c(/C=N\[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000255918625 771245549 /nfs/dbraw/zinc/24/55/49/771245549.db2.gz ZHHHLHUESACISY-MFVBVHDHSA-N 1 2 292.379 1.931 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CC=CCC1 ZINC001032419670 771268109 /nfs/dbraw/zinc/26/81/09/771268109.db2.gz DWLITHLGISYBEN-OFQRWUPVSA-N 1 2 258.365 1.651 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CC=CCC1 ZINC001032419670 771268118 /nfs/dbraw/zinc/26/81/18/771268118.db2.gz DWLITHLGISYBEN-OFQRWUPVSA-N 1 2 258.365 1.651 20 30 CDEDLO C#Cc1cccc(N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)c1 ZINC000804201411 771302015 /nfs/dbraw/zinc/30/20/15/771302015.db2.gz PAHHMGWXCPCZKY-ZDUSSCGKSA-N 1 2 280.287 1.059 20 30 CDEDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(C#N)cn1)C1CC1 ZINC000783294340 771349000 /nfs/dbraw/zinc/34/90/00/771349000.db2.gz NZNOEOHPLWEFJI-AWEZNQCLSA-N 1 2 267.336 1.928 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH]ccc-2n1 ZINC001032477347 771355816 /nfs/dbraw/zinc/35/58/16/771355816.db2.gz IVBUJORDCUNLBF-KBPBESRZSA-N 1 2 294.358 1.485 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH]ccc-2n1 ZINC001032477347 771355823 /nfs/dbraw/zinc/35/58/23/771355823.db2.gz IVBUJORDCUNLBF-KBPBESRZSA-N 1 2 294.358 1.485 20 30 CDEDLO CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001032477347 771355829 /nfs/dbraw/zinc/35/58/29/771355829.db2.gz IVBUJORDCUNLBF-KBPBESRZSA-N 1 2 294.358 1.485 20 30 CDEDLO C#Cc1cncc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000807063360 771389186 /nfs/dbraw/zinc/38/91/86/771389186.db2.gz SAROEVYPJQSQMS-CZUORRHYSA-N 1 2 294.358 1.983 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3CCC3)C[C@@H]21 ZINC001074133138 771391791 /nfs/dbraw/zinc/39/17/91/771391791.db2.gz GPYDZBKOZPCSHP-GJZGRUSLSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CCC3)C[C@@H]21 ZINC001074133138 771391799 /nfs/dbraw/zinc/39/17/99/771391799.db2.gz GPYDZBKOZPCSHP-GJZGRUSLSA-N 1 2 276.380 1.112 20 30 CDEDLO C#C[C@H]([NH2+][C@@H](C)c1nnnn1-c1ccccc1)[C@H]1CCCO1 ZINC000775793684 771396870 /nfs/dbraw/zinc/39/68/70/771396870.db2.gz MRUOSELBXHYIAD-AEGPPILISA-N 1 2 297.362 1.494 20 30 CDEDLO C#CC[C@H]1CCN(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000887876577 771460936 /nfs/dbraw/zinc/46/09/36/771460936.db2.gz PQDOMLHYFJYIID-AWEZNQCLSA-N 1 2 274.368 1.718 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)O2 ZINC001053677227 771473317 /nfs/dbraw/zinc/47/33/17/771473317.db2.gz UZQCPBGPUUAOKF-SOUVJXGZSA-N 1 2 290.407 1.568 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2c[nH]c3cnccc23)C1 ZINC001043643564 771480611 /nfs/dbraw/zinc/48/06/11/771480611.db2.gz WIUXAWKXZKCKJM-UHFFFAOYSA-N 1 2 298.390 1.824 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)C(C)(C)SC)CC1 ZINC000825078078 771575469 /nfs/dbraw/zinc/57/54/69/771575469.db2.gz SDWHJOQARZKIJM-UHFFFAOYSA-N 1 2 254.399 1.296 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@]1(C)CC)CCO2 ZINC001053490217 771709679 /nfs/dbraw/zinc/70/96/79/771709679.db2.gz APTGARHUYAPUNY-HOCLYGCPSA-N 1 2 292.423 1.912 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1C(F)F ZINC001038349403 771734755 /nfs/dbraw/zinc/73/47/55/771734755.db2.gz MGQVEJFWKNBDOP-SNVBAGLBSA-N 1 2 296.321 1.185 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1C(F)F ZINC001038349403 771734768 /nfs/dbraw/zinc/73/47/68/771734768.db2.gz MGQVEJFWKNBDOP-SNVBAGLBSA-N 1 2 296.321 1.185 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2[nH]nnc2C)CC[C@@H]1C ZINC001071731915 771801445 /nfs/dbraw/zinc/80/14/45/771801445.db2.gz MLMDGZAUZGLRQM-GXSJLCMTSA-N 1 2 297.790 1.448 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2[nH]nnc2C)CC[C@@H]1C ZINC001071731915 771801448 /nfs/dbraw/zinc/80/14/48/771801448.db2.gz MLMDGZAUZGLRQM-GXSJLCMTSA-N 1 2 297.790 1.448 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCc2cc(C)on2)cc1 ZINC000122196853 771835429 /nfs/dbraw/zinc/83/54/29/771835429.db2.gz RDXQDYDHKVBTOX-UHFFFAOYSA-N 1 2 261.281 1.829 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc3ccccn3c2)C1 ZINC001043998403 771841825 /nfs/dbraw/zinc/84/18/25/771841825.db2.gz FLPBJKNJICKTDK-UHFFFAOYSA-N 1 2 281.359 1.719 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn3ccccc23)C1 ZINC001044062597 771868850 /nfs/dbraw/zinc/86/88/50/771868850.db2.gz KFHGNIYATFJFEV-UHFFFAOYSA-N 1 2 282.347 1.114 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1occc1Cl ZINC001038670941 771870253 /nfs/dbraw/zinc/87/02/53/771870253.db2.gz MNCBLQSRSHZKMM-VIFPVBQESA-N 1 2 254.717 1.923 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1occc1Cl ZINC001038670941 771870257 /nfs/dbraw/zinc/87/02/57/771870257.db2.gz MNCBLQSRSHZKMM-VIFPVBQESA-N 1 2 254.717 1.923 20 30 CDEDLO C#C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1ccccc1 ZINC000869067181 771876530 /nfs/dbraw/zinc/87/65/30/771876530.db2.gz ZDCKDVMBGMVVGT-HWYHOQROSA-N 1 2 284.359 1.366 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccnn2C)C1 ZINC001033769279 771897891 /nfs/dbraw/zinc/89/78/91/771897891.db2.gz HSULAYOFPYZALG-GFCCVEGCSA-N 1 2 296.802 1.709 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccnn2C)C1 ZINC001033769279 771897893 /nfs/dbraw/zinc/89/78/93/771897893.db2.gz HSULAYOFPYZALG-GFCCVEGCSA-N 1 2 296.802 1.709 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001010358591 771902625 /nfs/dbraw/zinc/90/26/25/771902625.db2.gz IPZQIYIZQBPFHW-HZPDHXFCSA-N 1 2 299.374 1.285 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001010358591 771902632 /nfs/dbraw/zinc/90/26/32/771902632.db2.gz IPZQIYIZQBPFHW-HZPDHXFCSA-N 1 2 299.374 1.285 20 30 CDEDLO CC(=NNC1=[NH+]CCN1)c1[nH]c(-c2ccccc2)nc1C ZINC000841659644 771905918 /nfs/dbraw/zinc/90/59/18/771905918.db2.gz RMLCNSIYBFFKHX-UHFFFAOYSA-N 1 2 282.351 1.658 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc2ccccc12 ZINC001032815764 771913616 /nfs/dbraw/zinc/91/36/16/771913616.db2.gz OMYVEBAWPZYHIX-STQMWFEESA-N 1 2 280.327 1.965 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc2ccccc12 ZINC001032815764 771913624 /nfs/dbraw/zinc/91/36/24/771913624.db2.gz OMYVEBAWPZYHIX-STQMWFEESA-N 1 2 280.327 1.965 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2nonc2c1 ZINC001038667969 771939909 /nfs/dbraw/zinc/93/99/09/771939909.db2.gz XOZNKEJCBRHYAL-GFCCVEGCSA-N 1 2 284.319 1.050 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2nonc2c1 ZINC001038667969 771939919 /nfs/dbraw/zinc/93/99/19/771939919.db2.gz XOZNKEJCBRHYAL-GFCCVEGCSA-N 1 2 284.319 1.050 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2n[nH]nc21 ZINC001017583236 771942807 /nfs/dbraw/zinc/94/28/07/771942807.db2.gz VVSQCVCFPZMTQR-TXEJJXNPSA-N 1 2 297.362 1.433 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2n[nH]nc21 ZINC001017583236 771942822 /nfs/dbraw/zinc/94/28/22/771942822.db2.gz VVSQCVCFPZMTQR-TXEJJXNPSA-N 1 2 297.362 1.433 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1nc2c(s1)CCC2 ZINC000884060754 772013533 /nfs/dbraw/zinc/01/35/33/772013533.db2.gz JNAYWMBXJNHKNO-QMMMGPOBSA-N 1 2 295.364 1.017 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3n[nH]cc3F)[C@@H]2C1 ZINC001076214953 772015527 /nfs/dbraw/zinc/01/55/27/772015527.db2.gz ICUPOLBWCMUWFR-GXSJLCMTSA-N 1 2 298.749 1.448 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3n[nH]cc3F)[C@@H]2C1 ZINC001076214953 772015533 /nfs/dbraw/zinc/01/55/33/772015533.db2.gz ICUPOLBWCMUWFR-GXSJLCMTSA-N 1 2 298.749 1.448 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnn1CC(C)C ZINC001038314441 772021065 /nfs/dbraw/zinc/02/10/65/772021065.db2.gz IRRGYKPAESEAMC-CQSZACIVSA-N 1 2 288.395 1.367 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnn1CC(C)C ZINC001038314441 772021071 /nfs/dbraw/zinc/02/10/71/772021071.db2.gz IRRGYKPAESEAMC-CQSZACIVSA-N 1 2 288.395 1.367 20 30 CDEDLO Nc1ncc(C=[NH+]NCCc2ccccc2F)cn1 ZINC000781594173 772050679 /nfs/dbraw/zinc/05/06/79/772050679.db2.gz BACUBCNEKNUUJA-UHFFFAOYSA-N 1 2 259.288 1.364 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnnn2C)[C@@H]1C ZINC000993278080 772055975 /nfs/dbraw/zinc/05/59/75/772055975.db2.gz GXTLMOYUAKPPTE-QWRGUYRKSA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnnn2C)[C@@H]1C ZINC000993278080 772055984 /nfs/dbraw/zinc/05/59/84/772055984.db2.gz GXTLMOYUAKPPTE-QWRGUYRKSA-N 1 2 297.790 1.150 20 30 CDEDLO C#CC[N@H+]1CC[C@](C)(NC(=O)c2sc(Cl)nc2C)C1 ZINC001046345261 772063402 /nfs/dbraw/zinc/06/34/02/772063402.db2.gz UOSLJGIGNXRQSC-ZDUSSCGKSA-N 1 2 297.811 1.932 20 30 CDEDLO C#CC[N@@H+]1CC[C@](C)(NC(=O)c2sc(Cl)nc2C)C1 ZINC001046345261 772063411 /nfs/dbraw/zinc/06/34/11/772063411.db2.gz UOSLJGIGNXRQSC-ZDUSSCGKSA-N 1 2 297.811 1.932 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1C=CCC1)CCO2 ZINC001053149766 772070953 /nfs/dbraw/zinc/07/09/53/772070953.db2.gz PYYKLNDGURRRKO-OAHLLOKOSA-N 1 2 290.407 1.832 20 30 CDEDLO Cc1nc(NC[C@H]2CCCN2C(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001063453605 772079657 /nfs/dbraw/zinc/07/96/57/772079657.db2.gz HUQWHNKOBMSZLT-CMPLNLGQSA-N 1 2 273.340 1.348 20 30 CDEDLO C[C@H](CC(=O)[C@@H](C#N)C(=O)NC1CCCC1)n1cc[nH+]c1 ZINC000845452376 772080516 /nfs/dbraw/zinc/08/05/16/772080516.db2.gz UPSRQSUNZCCWOR-DGCLKSJQSA-N 1 2 288.351 1.602 20 30 CDEDLO N#Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2C/C=C\Cl)c[nH]1 ZINC001038169707 772092109 /nfs/dbraw/zinc/09/21/09/772092109.db2.gz UYYUPFZOQDSRDN-AZEYQONTSA-N 1 2 278.743 1.443 20 30 CDEDLO N#Cc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C/C=C\Cl)c[nH]1 ZINC001038169707 772092116 /nfs/dbraw/zinc/09/21/16/772092116.db2.gz UYYUPFZOQDSRDN-AZEYQONTSA-N 1 2 278.743 1.443 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2n[nH]nc2C)C1 ZINC001033318597 772092153 /nfs/dbraw/zinc/09/21/53/772092153.db2.gz OMSXSHINVYNAIH-JTQLQIEISA-N 1 2 283.763 1.012 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2n[nH]nc2C)C1 ZINC001033318597 772092162 /nfs/dbraw/zinc/09/21/62/772092162.db2.gz OMSXSHINVYNAIH-JTQLQIEISA-N 1 2 283.763 1.012 20 30 CDEDLO CCCCCCC[N@@H+]1CCNC(=O)[C@H]1CC(=O)OC ZINC000157345576 772138422 /nfs/dbraw/zinc/13/84/22/772138422.db2.gz BQKNCMYCTXYXFJ-GFCCVEGCSA-N 1 2 270.373 1.320 20 30 CDEDLO CCCCCCC[N@H+]1CCNC(=O)[C@H]1CC(=O)OC ZINC000157345576 772138448 /nfs/dbraw/zinc/13/84/48/772138448.db2.gz BQKNCMYCTXYXFJ-GFCCVEGCSA-N 1 2 270.373 1.320 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H]2Oc3ccccc3[C@H]2C)C1 ZINC001044371713 772162864 /nfs/dbraw/zinc/16/28/64/772162864.db2.gz JHOQSXNBIOOHPT-DYVFJYSZSA-N 1 2 298.386 1.717 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C2SCCCS2)C1 ZINC000923553807 772275695 /nfs/dbraw/zinc/27/56/95/772275695.db2.gz CFEOUACMKOLKTK-LLVKDONJSA-N 1 2 284.450 1.396 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C2SCCCS2)C1 ZINC000923553807 772275675 /nfs/dbraw/zinc/27/56/75/772275675.db2.gz CFEOUACMKOLKTK-LLVKDONJSA-N 1 2 284.450 1.396 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2C[C@H](C)CO2)C1 ZINC001031857605 772326501 /nfs/dbraw/zinc/32/65/01/772326501.db2.gz DBTNVYVVVSGKIG-JOYOIKCWSA-N 1 2 272.776 1.212 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2)C1 ZINC000932161469 772351115 /nfs/dbraw/zinc/35/11/15/772351115.db2.gz MQFPWDWMMUMGQG-UONOGXRCSA-N 1 2 260.337 1.662 20 30 CDEDLO N#C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2)C1 ZINC000932161469 772351116 /nfs/dbraw/zinc/35/11/16/772351116.db2.gz MQFPWDWMMUMGQG-UONOGXRCSA-N 1 2 260.337 1.662 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c(s1)CCOC2 ZINC001038939047 772352947 /nfs/dbraw/zinc/35/29/47/772352947.db2.gz ODPPLKVXKLJDCJ-LBPRGKRZSA-N 1 2 292.404 1.811 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc2c(s1)CCOC2 ZINC001038939047 772352950 /nfs/dbraw/zinc/35/29/50/772352950.db2.gz ODPPLKVXKLJDCJ-LBPRGKRZSA-N 1 2 292.404 1.811 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)C(C)(C)CC ZINC000884399746 772357169 /nfs/dbraw/zinc/35/71/69/772357169.db2.gz MRLDATLJDDNRFZ-QWRGUYRKSA-N 1 2 270.373 1.374 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(OC)ns2)C1 ZINC001033087723 772404203 /nfs/dbraw/zinc/40/42/03/772404203.db2.gz ZEBBGDXNCWTOSM-NSHDSACASA-N 1 2 293.392 1.321 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(OC)ns2)C1 ZINC001033087723 772404206 /nfs/dbraw/zinc/40/42/06/772404206.db2.gz ZEBBGDXNCWTOSM-NSHDSACASA-N 1 2 293.392 1.321 20 30 CDEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001017636155 772405400 /nfs/dbraw/zinc/40/54/00/772405400.db2.gz NQSFFMVARLOTDH-LXTVHRRPSA-N 1 2 298.390 1.212 20 30 CDEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001017636155 772405401 /nfs/dbraw/zinc/40/54/01/772405401.db2.gz NQSFFMVARLOTDH-LXTVHRRPSA-N 1 2 298.390 1.212 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C12CC(c3ccccc3)(C1)C2 ZINC001039059610 772413299 /nfs/dbraw/zinc/41/32/99/772413299.db2.gz GRRLTLFYBLUSCM-IPJUCJBFSA-N 1 2 294.398 1.932 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C12CC(c3ccccc3)(C1)C2 ZINC001039059610 772413304 /nfs/dbraw/zinc/41/33/04/772413304.db2.gz GRRLTLFYBLUSCM-IPJUCJBFSA-N 1 2 294.398 1.932 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)cc(F)cc1C ZINC001038591044 772414981 /nfs/dbraw/zinc/41/49/81/772414981.db2.gz WXEZMUHZDFRICV-CQSZACIVSA-N 1 2 274.339 1.880 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)cc(F)cc1C ZINC001038591044 772414986 /nfs/dbraw/zinc/41/49/86/772414986.db2.gz WXEZMUHZDFRICV-CQSZACIVSA-N 1 2 274.339 1.880 20 30 CDEDLO C[C@@H]1CCN(CC#N)C[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000967359973 772456954 /nfs/dbraw/zinc/45/69/54/772456954.db2.gz ZGIKVVTWYFMZQO-CHWSQXEVSA-N 1 2 297.362 1.298 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000787139096 772457404 /nfs/dbraw/zinc/45/74/04/772457404.db2.gz QBUMKVNAZZDESE-UONOGXRCSA-N 1 2 281.400 1.457 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000787139096 772457405 /nfs/dbraw/zinc/45/74/05/772457405.db2.gz QBUMKVNAZZDESE-UONOGXRCSA-N 1 2 281.400 1.457 20 30 CDEDLO C#CCCC[NH2+][C@H](Cc1ccc(F)cc1)C(=O)OC ZINC000783570214 772457531 /nfs/dbraw/zinc/45/75/31/772457531.db2.gz 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/nfs/dbraw/zinc/55/44/87/772554487.db2.gz MAFSKWMVEVHFQV-UHFFFAOYSA-N 1 2 298.799 1.653 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cnsn2)CC1 ZINC001000490754 772554495 /nfs/dbraw/zinc/55/44/95/772554495.db2.gz MAFSKWMVEVHFQV-UHFFFAOYSA-N 1 2 298.799 1.653 20 30 CDEDLO C=CC[N@@H+](CN1C[C@@H](CC)CC1=O)[C@H](C)COC ZINC000853535509 772572673 /nfs/dbraw/zinc/57/26/73/772572673.db2.gz WMLQTRIZPPXMJM-OLZOCXBDSA-N 1 2 254.374 1.725 20 30 CDEDLO C=CC[N@H+](CN1C[C@@H](CC)CC1=O)[C@H](C)COC ZINC000853535509 772572676 /nfs/dbraw/zinc/57/26/76/772572676.db2.gz WMLQTRIZPPXMJM-OLZOCXBDSA-N 1 2 254.374 1.725 20 30 CDEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(F)F)C[C@@H]21 ZINC001074134263 772577198 /nfs/dbraw/zinc/57/71/98/772577198.db2.gz YNEFYBDKAVEKOT-RYUDHWBXSA-N 1 2 288.338 1.519 20 30 CDEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(F)F)C[C@@H]21 ZINC001074134263 772577201 /nfs/dbraw/zinc/57/72/01/772577201.db2.gz YNEFYBDKAVEKOT-RYUDHWBXSA-N 1 2 288.338 1.519 20 30 CDEDLO C=CCC1(O)CC[NH+](CN2Cc3cccnc3C2=O)CC1 ZINC000884479823 772579797 /nfs/dbraw/zinc/57/97/97/772579797.db2.gz SXILOSLLASRCME-UHFFFAOYSA-N 1 2 287.363 1.398 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnoc1-c1ccco1 ZINC001038417233 772592286 /nfs/dbraw/zinc/59/22/86/772592286.db2.gz KYNFIHMDRKAIOP-LBPRGKRZSA-N 1 2 299.330 1.762 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnoc1-c1ccco1 ZINC001038417233 772592293 /nfs/dbraw/zinc/59/22/93/772592293.db2.gz KYNFIHMDRKAIOP-LBPRGKRZSA-N 1 2 299.330 1.762 20 30 CDEDLO CC#CC[C@H](CO)NC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000831578241 772603286 /nfs/dbraw/zinc/60/32/86/772603286.db2.gz KHCAPPDKSIOTRP-GFCCVEGCSA-N 1 2 290.367 1.352 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001031280177 772624054 /nfs/dbraw/zinc/62/40/54/772624054.db2.gz CJYYLCDEGQVNPH-JKSUJKDBSA-N 1 2 268.360 1.614 20 30 CDEDLO Cc1cnc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@H](C)C#N)o1 ZINC000960495594 772627319 /nfs/dbraw/zinc/62/73/19/772627319.db2.gz QWBFZWRVFKWSFC-YPMHNXCESA-N 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/nfs/dbraw/zinc/65/56/42/772655642.db2.gz XRYORTLKTHTKJT-INIZCTEOSA-N 1 2 287.363 1.954 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCc3ncncc3C2)c1 ZINC000880593810 772660675 /nfs/dbraw/zinc/66/06/75/772660675.db2.gz JAHGPPUQLSMWIW-UHFFFAOYSA-N 1 2 250.305 1.907 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCc3ncncc3C2)c1 ZINC000880593810 772660677 /nfs/dbraw/zinc/66/06/77/772660677.db2.gz JAHGPPUQLSMWIW-UHFFFAOYSA-N 1 2 250.305 1.907 20 30 CDEDLO C#CC[NH+]1CCN(c2nccc(OCCC)n2)CC1 ZINC000881787023 772683659 /nfs/dbraw/zinc/68/36/59/772683659.db2.gz SZAWEWCGBGFYLQ-UHFFFAOYSA-N 1 2 260.341 1.021 20 30 CDEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC)C2)CC1 ZINC001008413965 772702874 /nfs/dbraw/zinc/70/28/74/772702874.db2.gz XZSNDCANSSZPHI-AWEZNQCLSA-N 1 2 293.411 1.059 20 30 CDEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC)C2)CC1 ZINC001008413965 772702884 /nfs/dbraw/zinc/70/28/84/772702884.db2.gz XZSNDCANSSZPHI-AWEZNQCLSA-N 1 2 293.411 1.059 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2CCO[C@H](CC)C2)C1 ZINC001031217717 772724812 /nfs/dbraw/zinc/72/48/12/772724812.db2.gz OKZKZIYKCDWEKS-DZGCQCFKSA-N 1 2 278.396 1.405 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1nc2cccnc2s1 ZINC001038349275 772763892 /nfs/dbraw/zinc/76/38/92/772763892.db2.gz GVEDMUCQRJWHGF-JTQLQIEISA-N 1 2 288.376 1.681 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1nc2cccnc2s1 ZINC001038349275 772763896 /nfs/dbraw/zinc/76/38/96/772763896.db2.gz GVEDMUCQRJWHGF-JTQLQIEISA-N 1 2 288.376 1.681 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1csc2cncn21 ZINC001038761744 772773752 /nfs/dbraw/zinc/77/37/52/772773752.db2.gz WCINJGPDGUAGMJ-NSHDSACASA-N 1 2 288.376 1.223 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1csc2cncn21 ZINC001038761744 772773756 /nfs/dbraw/zinc/77/37/56/772773756.db2.gz WCINJGPDGUAGMJ-NSHDSACASA-N 1 2 288.376 1.223 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1C ZINC001032342633 772775693 /nfs/dbraw/zinc/77/56/93/772775693.db2.gz XTPMYZOCQCJAMK-KBPBESRZSA-N 1 2 269.348 1.312 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1C ZINC001032342633 772775695 /nfs/dbraw/zinc/77/56/95/772775695.db2.gz XTPMYZOCQCJAMK-KBPBESRZSA-N 1 2 269.348 1.312 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)c2cccc(F)c2)nn1 ZINC000881409381 772785718 /nfs/dbraw/zinc/78/57/18/772785718.db2.gz KYJSYLQLPLACIX-HNNXBMFYSA-N 1 2 288.326 1.264 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCC[C@H](OC)C2)C1 ZINC001030869573 772785930 /nfs/dbraw/zinc/78/59/30/772785930.db2.gz SFCUXDBWXJLGHE-JSGCOSHPSA-N 1 2 266.385 1.568 20 30 CDEDLO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001027418562 772799711 /nfs/dbraw/zinc/79/97/11/772799711.db2.gz AIAGKHQIZXGZGT-ZJUUUORDSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001027418562 772799717 /nfs/dbraw/zinc/79/97/17/772799717.db2.gz AIAGKHQIZXGZGT-ZJUUUORDSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001027418562 772799718 /nfs/dbraw/zinc/79/97/18/772799718.db2.gz AIAGKHQIZXGZGT-ZJUUUORDSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001027418562 772799721 /nfs/dbraw/zinc/79/97/21/772799721.db2.gz AIAGKHQIZXGZGT-ZJUUUORDSA-N 1 2 280.265 1.443 20 30 CDEDLO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@@H]1CCNC1=O)c1ccccc1 ZINC000878307100 772816033 /nfs/dbraw/zinc/81/60/33/772816033.db2.gz KLOLKPPKPREIGP-WBVHZDCISA-N 1 2 299.374 1.247 20 30 CDEDLO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@@H]1CCNC1=O)c1ccccc1 ZINC000878307100 772816034 /nfs/dbraw/zinc/81/60/34/772816034.db2.gz KLOLKPPKPREIGP-WBVHZDCISA-N 1 2 299.374 1.247 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2OCC[C@H]2C)C1 ZINC001043903385 772847283 /nfs/dbraw/zinc/84/72/83/772847283.db2.gz WNBDEPIWIXRTIE-YPMHNXCESA-N 1 2 252.358 1.130 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(C)(C)C1 ZINC001017521131 772868754 /nfs/dbraw/zinc/86/87/54/772868754.db2.gz LEKXFQLZJSTOJQ-OKILXGFUSA-N 1 2 260.381 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(C)(C)C1 ZINC001017521131 772868756 /nfs/dbraw/zinc/86/87/56/772868756.db2.gz LEKXFQLZJSTOJQ-OKILXGFUSA-N 1 2 260.381 1.731 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cn(C)nn2)CC[C@H]1C ZINC001071467547 772875159 /nfs/dbraw/zinc/87/51/59/772875159.db2.gz TUKCKAMFVRZZTI-GHMZBOCLSA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cn(C)nn2)CC[C@H]1C ZINC001071467547 772875163 /nfs/dbraw/zinc/87/51/63/772875163.db2.gz TUKCKAMFVRZZTI-GHMZBOCLSA-N 1 2 297.790 1.150 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(C(C)(C)C)n1 ZINC001038242573 772881283 /nfs/dbraw/zinc/88/12/83/772881283.db2.gz WJQBYFVJHRYFLO-LBPRGKRZSA-N 1 2 289.379 1.800 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1coc(C(C)(C)C)n1 ZINC001038242573 772881287 /nfs/dbraw/zinc/88/12/87/772881287.db2.gz WJQBYFVJHRYFLO-LBPRGKRZSA-N 1 2 289.379 1.800 20 30 CDEDLO COCC[C@](C)(C#N)NC(=O)c1cccc2[nH+]ccn21 ZINC000809013764 772896299 /nfs/dbraw/zinc/89/62/99/772896299.db2.gz BUTXFYCJNNGLMI-CQSZACIVSA-N 1 2 272.308 1.383 20 30 CDEDLO C#Cc1ccc(CN2CC[NH+](CC[S@](C)=O)CC2)cc1 ZINC000809581796 772896787 /nfs/dbraw/zinc/89/67/87/772896787.db2.gz PAKCTHLUXXROTK-FQEVSTJZSA-N 1 2 290.432 1.164 20 30 CDEDLO C=CCCC(=O)NCC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001075882643 772899444 /nfs/dbraw/zinc/89/94/44/772899444.db2.gz HLXLIAWTJVAKHA-LBPRGKRZSA-N 1 2 292.383 1.320 20 30 CDEDLO C=C(Cl)CN1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001030528073 772899882 /nfs/dbraw/zinc/89/98/82/772899882.db2.gz BNOYPEBZIBNCEO-UHFFFAOYSA-N 1 2 290.754 1.729 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(C(CC)CC)n1 ZINC001038773869 772901877 /nfs/dbraw/zinc/90/18/77/772901877.db2.gz WSGFYUXSPAQIQW-CQSZACIVSA-N 1 2 288.395 1.682 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(C(CC)CC)n1 ZINC001038773869 772901882 /nfs/dbraw/zinc/90/18/82/772901882.db2.gz WSGFYUXSPAQIQW-CQSZACIVSA-N 1 2 288.395 1.682 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C(C)(F)F)CC1 ZINC001032631695 772943622 /nfs/dbraw/zinc/94/36/22/772943622.db2.gz 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265.401 1.191 20 30 CDEDLO C#CC[C@H]1NC(=O)N(Cc2cc[nH+]c(N3CCCC3)c2)C1=O ZINC000842235898 773146263 /nfs/dbraw/zinc/14/62/63/773146263.db2.gz KVONQDRDHZUHQS-CYBMUJFWSA-N 1 2 298.346 1.126 20 30 CDEDLO C#CCC[C@@H](O)CNC(=O)Nc1cc(C)[nH+]cc1C ZINC000799223596 773146902 /nfs/dbraw/zinc/14/69/02/773146902.db2.gz IEKMANQOUIZKEP-GFCCVEGCSA-N 1 2 261.325 1.016 20 30 CDEDLO C=CC[NH2+][C@H]1CN(C(=O)C(F)C(F)(F)F)CC1(C)C ZINC000995851698 773172359 /nfs/dbraw/zinc/17/23/59/773172359.db2.gz YYIJUCDQSHLUHQ-DTWKUNHWSA-N 1 2 282.281 1.899 20 30 CDEDLO C=CC[NH2+][C@H]1CN(C(=O)[C@@H](F)C(F)(F)F)CC1(C)C ZINC000995851698 773172362 /nfs/dbraw/zinc/17/23/62/773172362.db2.gz YYIJUCDQSHLUHQ-DTWKUNHWSA-N 1 2 282.281 1.899 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(N(C)C)cc2F)C1 ZINC001030438143 773176575 /nfs/dbraw/zinc/17/65/75/773176575.db2.gz WSOKKUDJWVAVEP-UHFFFAOYSA-N 1 2 291.370 1.882 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(OC)c1C ZINC001038747355 773202451 /nfs/dbraw/zinc/20/24/51/773202451.db2.gz 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/nfs/dbraw/zinc/52/64/46/773526446.db2.gz KOAOCWZSRZAENM-UHFFFAOYSA-N 1 2 294.358 1.409 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000935713124 773537106 /nfs/dbraw/zinc/53/71/06/773537106.db2.gz PGOYVIRHLLWBAU-KGLIPLIRSA-N 1 2 268.401 1.768 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](CC(C)C)C1 ZINC000884158205 773581861 /nfs/dbraw/zinc/58/18/61/773581861.db2.gz UEZRTNXZUVTLFH-KBPBESRZSA-N 1 2 296.411 1.718 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2scnc2CC)C1 ZINC001033134491 773595292 /nfs/dbraw/zinc/59/52/92/773595292.db2.gz WURVIXTUGDZOHN-NSHDSACASA-N 1 2 277.393 1.485 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2scnc2CC)C1 ZINC001033134491 773595319 /nfs/dbraw/zinc/59/53/19/773595319.db2.gz WURVIXTUGDZOHN-NSHDSACASA-N 1 2 277.393 1.485 20 30 CDEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](CCOC)C2)cc1 ZINC001043505540 773689503 /nfs/dbraw/zinc/68/95/03/773689503.db2.gz USNSQMGNMLXLHT-UHFFFAOYSA-N 1 2 272.348 1.071 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001044176577 773721349 /nfs/dbraw/zinc/72/13/49/773721349.db2.gz ZBBFPHYHRMIHPN-UHFFFAOYSA-N 1 2 297.362 1.210 20 30 CDEDLO C=CC[NH+]1CCN(C(=S)NC2CCCC2)CC1 ZINC000039971810 1165935723 /nfs/dbraw/zinc/93/57/23/1165935723.db2.gz FILBODHGKWIQMC-UHFFFAOYSA-N 1 2 253.415 1.607 20 30 CDEDLO CC[C@H](F)C[N@@H+]1C[C@H]2OCCN(C(=O)C#CC(C)C)[C@H]2C1 ZINC001217852586 1167374139 /nfs/dbraw/zinc/37/41/39/1167374139.db2.gz MODLABLLJZTQCC-SOUVJXGZSA-N 1 2 296.386 1.306 20 30 CDEDLO CC[C@H](F)C[N@H+]1C[C@H]2OCCN(C(=O)C#CC(C)C)[C@H]2C1 ZINC001217852586 1167374145 /nfs/dbraw/zinc/37/41/45/1167374145.db2.gz MODLABLLJZTQCC-SOUVJXGZSA-N 1 2 296.386 1.306 20 30 CDEDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@@H]1C#N ZINC001173223045 912310903 /nfs/dbraw/zinc/31/09/03/912310903.db2.gz WVWRSXJMIDPJHZ-RISCZKNCSA-N 1 2 274.324 1.323 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=COCCO1)C2 ZINC001095127230 912492623 /nfs/dbraw/zinc/49/26/23/912492623.db2.gz AHWAYSNXCRPADL-WOPDTQHZSA-N 1 2 298.770 1.349 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=COCCO1)C2 ZINC001095127230 912492637 /nfs/dbraw/zinc/49/26/37/912492637.db2.gz AHWAYSNXCRPADL-WOPDTQHZSA-N 1 2 298.770 1.349 20 30 CDEDLO C#CC[C@H]([NH2+][C@H](C)CCCCC(=O)OC)C(=O)OC ZINC001173446170 912564169 /nfs/dbraw/zinc/56/41/69/912564169.db2.gz UGPGUYZWPQRJJY-NEPJUHHUSA-N 1 2 269.341 1.263 20 30 CDEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(C)[nH]n1)CC2 ZINC001272545473 913408041 /nfs/dbraw/zinc/40/80/41/913408041.db2.gz ZRNDNEQTGWOOSY-AWEZNQCLSA-N 1 2 288.395 1.622 20 30 CDEDLO CC(C)C[C@H](C#N)NC(=O)c1cc2n(n1)CCC[N@H+](C)C2 ZINC001175104448 913447735 /nfs/dbraw/zinc/44/77/35/913447735.db2.gz HYTHZAFFWKSXBV-GFCCVEGCSA-N 1 2 289.383 1.387 20 30 CDEDLO CC(C)C[C@H](C#N)NC(=O)c1cc2n(n1)CCC[N@@H+](C)C2 ZINC001175104448 913447743 /nfs/dbraw/zinc/44/77/43/913447743.db2.gz HYTHZAFFWKSXBV-GFCCVEGCSA-N 1 2 289.383 1.387 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001234385436 913601272 /nfs/dbraw/zinc/60/12/72/913601272.db2.gz NIRMJIBJHQJOCM-GJZGRUSLSA-N 1 2 292.423 1.748 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001234385436 913601280 /nfs/dbraw/zinc/60/12/80/913601280.db2.gz NIRMJIBJHQJOCM-GJZGRUSLSA-N 1 2 292.423 1.748 20 30 CDEDLO C=C(C)C(=O)NCCCNc1ccc(CC#N)c[nH+]1 ZINC001167665484 897296914 /nfs/dbraw/zinc/29/69/14/897296914.db2.gz JXGKHUXVZQCJKP-UHFFFAOYSA-N 1 2 258.325 1.642 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C(C)(C)F ZINC001480957529 898235636 /nfs/dbraw/zinc/23/56/36/898235636.db2.gz KLGYIVHZLITFOB-UHFFFAOYSA-N 1 2 250.745 1.925 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C(C)(C)F ZINC001480957529 898235654 /nfs/dbraw/zinc/23/56/54/898235654.db2.gz KLGYIVHZLITFOB-UHFFFAOYSA-N 1 2 250.745 1.925 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CCc1nccn1C ZINC001480990443 898437602 /nfs/dbraw/zinc/43/76/02/898437602.db2.gz PGDDHSUWGYGKDZ-UHFFFAOYSA-N 1 2 298.818 1.543 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CCc1nccn1C ZINC001480990443 898437611 /nfs/dbraw/zinc/43/76/11/898437611.db2.gz PGDDHSUWGYGKDZ-UHFFFAOYSA-N 1 2 298.818 1.543 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCC2CC2)C1 ZINC001267679552 899259162 /nfs/dbraw/zinc/25/91/62/899259162.db2.gz REQCMNQTCSSMBG-UHFFFAOYSA-N 1 2 256.777 1.977 20 30 CDEDLO C[C@H](CNc1ccc(C#N)cn1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001104826035 899551002 /nfs/dbraw/zinc/55/10/02/899551002.db2.gz QGIBVVFDTMOFAB-LLVKDONJSA-N 1 2 298.350 1.178 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@@H+](CC(=C)C)[C@H]2C1 ZINC001176954624 914394782 /nfs/dbraw/zinc/39/47/82/914394782.db2.gz GSKLATNWMKVAOP-GJZGRUSLSA-N 1 2 278.396 1.830 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@H+](CC(=C)C)[C@H]2C1 ZINC001176954624 914394795 /nfs/dbraw/zinc/39/47/95/914394795.db2.gz GSKLATNWMKVAOP-GJZGRUSLSA-N 1 2 278.396 1.830 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCOCC)C[C@H]21 ZINC001176949368 914396126 /nfs/dbraw/zinc/39/61/26/914396126.db2.gz MRMLDZKEWGLANE-HUUCEWRRSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCOCC)C[C@H]21 ZINC001176949368 914396139 /nfs/dbraw/zinc/39/61/39/914396139.db2.gz MRMLDZKEWGLANE-HUUCEWRRSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C#CC(C)C)C[C@@H]21 ZINC001177020123 914437488 /nfs/dbraw/zinc/43/74/88/914437488.db2.gz WBWNNVMYQLWMJL-JKSUJKDBSA-N 1 2 290.407 1.524 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C#CC(C)C)C[C@@H]21 ZINC001177020123 914437499 /nfs/dbraw/zinc/43/74/99/914437499.db2.gz WBWNNVMYQLWMJL-JKSUJKDBSA-N 1 2 290.407 1.524 20 30 CDEDLO C=CCn1cc(C[N@@H+]2C[C@H](CO)C[C@H](F)C2)cn1 ZINC001139766007 901670943 /nfs/dbraw/zinc/67/09/43/901670943.db2.gz JOYFTNOSCCTPEN-YPMHNXCESA-N 1 2 253.321 1.221 20 30 CDEDLO C=CCn1cc(C[N@H+]2C[C@H](CO)C[C@H](F)C2)cn1 ZINC001139766007 901670947 /nfs/dbraw/zinc/67/09/47/901670947.db2.gz JOYFTNOSCCTPEN-YPMHNXCESA-N 1 2 253.321 1.221 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001126366607 902371461 /nfs/dbraw/zinc/37/14/61/902371461.db2.gz XCZLKFKLVSIVQA-FZMZJTMJSA-N 1 2 281.356 1.077 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccn[nH]1 ZINC001268721266 903008489 /nfs/dbraw/zinc/00/84/89/903008489.db2.gz AQEASJKPLHVLQH-VIFPVBQESA-N 1 2 256.737 1.212 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccn[nH]1 ZINC001268721266 903008499 /nfs/dbraw/zinc/00/84/99/903008499.db2.gz AQEASJKPLHVLQH-VIFPVBQESA-N 1 2 256.737 1.212 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]2O)C1 ZINC001083758926 914739591 /nfs/dbraw/zinc/73/95/91/914739591.db2.gz ZGRXKIHFDASRRQ-LXYZTQFVSA-N 1 2 284.787 1.257 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2O)C1 ZINC001083758926 914739608 /nfs/dbraw/zinc/73/96/08/914739608.db2.gz ZGRXKIHFDASRRQ-LXYZTQFVSA-N 1 2 284.787 1.257 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC([N@H+](C)Cc2csnn2)CC1 ZINC000985339819 906442159 /nfs/dbraw/zinc/44/21/59/906442159.db2.gz ZYXQZXZOLVLCNK-SNVBAGLBSA-N 1 2 293.396 1.121 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC([N@@H+](C)Cc2csnn2)CC1 ZINC000985339819 906442168 /nfs/dbraw/zinc/44/21/68/906442168.db2.gz ZYXQZXZOLVLCNK-SNVBAGLBSA-N 1 2 293.396 1.121 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+][C@@H](C)c1nnc(CC)o1 ZINC001128413759 921297968 /nfs/dbraw/zinc/29/79/68/921297968.db2.gz MUOUFTWWQZSBDC-NSHDSACASA-N 1 2 280.372 1.755 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)n2cncn2)[C@H]1C ZINC001088530821 907614269 /nfs/dbraw/zinc/61/42/69/907614269.db2.gz LHZKXGPKEDRYJU-WOPDTQHZSA-N 1 2 297.790 1.171 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)n2cncn2)[C@H]1C ZINC001088530821 907614283 /nfs/dbraw/zinc/61/42/83/907614283.db2.gz LHZKXGPKEDRYJU-WOPDTQHZSA-N 1 2 297.790 1.171 20 30 CDEDLO Cc1nc(NC2CC3(CC(NC(=O)[C@H](C)C#N)C3)C2)cc[nH+]1 ZINC001093425441 909787359 /nfs/dbraw/zinc/78/73/59/909787359.db2.gz YLRNYPLELAPUQG-ZJMBPCIDSA-N 1 2 299.378 1.784 20 30 CDEDLO Cc1cc(NCCNC(=O)[C@@H](C)C#N)nc(C2CC2)[nH+]1 ZINC001093529470 909907265 /nfs/dbraw/zinc/90/72/65/909907265.db2.gz ZTYPLHBIVQTNRY-VIFPVBQESA-N 1 2 273.340 1.350 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCCCNc1cc[nH+]c(C)n1 ZINC001094354769 910548291 /nfs/dbraw/zinc/54/82/91/910548291.db2.gz HZQGZIIRZYUPMK-GFCCVEGCSA-N 1 2 292.383 1.684 20 30 CDEDLO CCN1CC[C@@H]([N@H+](CCC#N)Cc2cccnc2)CC1=O ZINC001172034514 911158036 /nfs/dbraw/zinc/15/80/36/911158036.db2.gz DBCWEPIOWNTYMD-OAHLLOKOSA-N 1 2 286.379 1.808 20 30 CDEDLO CCN1CC[C@@H]([N@@H+](CCC#N)Cc2cccnc2)CC1=O ZINC001172034514 911158047 /nfs/dbraw/zinc/15/80/47/911158047.db2.gz DBCWEPIOWNTYMD-OAHLLOKOSA-N 1 2 286.379 1.808 20 30 CDEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1)C(=O)OCC ZINC001172166800 911413211 /nfs/dbraw/zinc/41/32/11/911413211.db2.gz UJCLHEMZUVZXBW-BRXULGCHSA-N 1 2 292.379 1.237 20 30 CDEDLO CC1(C)CC(N2CC[NH2+]C[C@H]2C#N)CC(C)(C)O1 ZINC001172656755 911823071 /nfs/dbraw/zinc/82/30/71/911823071.db2.gz QDSNKFSTEQGRDQ-GFCCVEGCSA-N 1 2 251.374 1.520 20 30 CDEDLO O=C(C#Cc1cccnc1)Nc1ccn2cc[nH+]c2c1 ZINC001177773871 914886511 /nfs/dbraw/zinc/88/65/11/914886511.db2.gz OBGBZWGNLGDTGM-UHFFFAOYSA-N 1 2 262.272 1.720 20 30 CDEDLO C[C@H](C(=O)Nc1cc(C#N)c(C#N)cc1N)n1cc[nH+]c1 ZINC001177925909 915041882 /nfs/dbraw/zinc/04/18/82/915041882.db2.gz AELDOXYEAINMIY-SECBINFHSA-N 1 2 280.291 1.408 20 30 CDEDLO CC1(C)CC(=O)C=C(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001178118753 915182620 /nfs/dbraw/zinc/18/26/20/915182620.db2.gz GHSNAZXXSVWCPU-LLVKDONJSA-N 1 2 287.363 1.835 20 30 CDEDLO C#CC[NH2+]CCCCCCNC(=O)C(F)C(F)(F)F ZINC001178536119 915489361 /nfs/dbraw/zinc/48/93/61/915489361.db2.gz PXNHVVYXTUGHHD-JTQLQIEISA-N 1 2 282.281 1.786 20 30 CDEDLO C#CC[NH2+]CCCCCCNC(=O)[C@H](F)C(F)(F)F ZINC001178536119 915489376 /nfs/dbraw/zinc/48/93/76/915489376.db2.gz PXNHVVYXTUGHHD-JTQLQIEISA-N 1 2 282.281 1.786 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC001179684001 915921986 /nfs/dbraw/zinc/92/19/86/915921986.db2.gz HTQGBVLTHMKITJ-GQCTYLIASA-N 1 2 288.347 1.441 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001179895637 916034056 /nfs/dbraw/zinc/03/40/56/916034056.db2.gz LTEJXGSJIVXHBL-WDEREUQCSA-N 1 2 271.311 1.478 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001179895057 916034949 /nfs/dbraw/zinc/03/49/49/916034949.db2.gz IBOSABHYSYLLAE-GFCCVEGCSA-N 1 2 268.320 1.990 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC[NH2+]Cc1noc(-c2ccccc2)n1 ZINC001124908259 936343052 /nfs/dbraw/zinc/34/30/52/936343052.db2.gz GWSHYAWNJCYFPE-NSHDSACASA-N 1 2 299.334 1.102 20 30 CDEDLO C=CCOCCCC(=O)NCC[NH2+]Cc1ncc(CC)o1 ZINC001125247374 936359314 /nfs/dbraw/zinc/35/93/14/936359314.db2.gz ALFKDDXWBROBSJ-UHFFFAOYSA-N 1 2 295.383 1.426 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ocnc1C ZINC001485287806 916760374 /nfs/dbraw/zinc/76/03/74/916760374.db2.gz DPMYDOHJWSVNNC-SECBINFHSA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ocnc1C ZINC001485287806 916760384 /nfs/dbraw/zinc/76/03/84/916760384.db2.gz DPMYDOHJWSVNNC-SECBINFHSA-N 1 2 271.748 1.786 20 30 CDEDLO COc1ccc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c(C#N)c1 ZINC001137706869 936394730 /nfs/dbraw/zinc/39/47/30/936394730.db2.gz UTCILQIGBCQSOM-HNNXBMFYSA-N 1 2 297.362 1.995 20 30 CDEDLO COc1ccc(C[N@H+]2CCC[C@H](n3ccnn3)C2)c(C#N)c1 ZINC001137706869 936394734 /nfs/dbraw/zinc/39/47/34/936394734.db2.gz UTCILQIGBCQSOM-HNNXBMFYSA-N 1 2 297.362 1.995 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CCOC2(C[NH+](C(C)C)C2)C1 ZINC001053370433 936411684 /nfs/dbraw/zinc/41/16/84/936411684.db2.gz FOPVBMINTVTPAW-UHFFFAOYSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)OCC)C2 ZINC001110316915 917919989 /nfs/dbraw/zinc/91/99/89/917919989.db2.gz XFZNJSNTIZUZLB-LOWDOPEQSA-N 1 2 286.803 1.885 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)OCC)C2 ZINC001110316915 917919996 /nfs/dbraw/zinc/91/99/96/917919996.db2.gz XFZNJSNTIZUZLB-LOWDOPEQSA-N 1 2 286.803 1.885 20 30 CDEDLO Cc1nc(NC/C=C/CNC(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001107096294 918011812 /nfs/dbraw/zinc/01/18/12/918011812.db2.gz IXKHQHXTYXJQCS-NSCUHMNNSA-N 1 2 296.334 1.383 20 30 CDEDLO C=CCC[NH2+][C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001182719728 918068826 /nfs/dbraw/zinc/06/88/26/918068826.db2.gz VDSXQCSJGFDAGB-RKDXNWHRSA-N 1 2 268.254 1.653 20 30 CDEDLO C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001182719728 918068846 /nfs/dbraw/zinc/06/88/46/918068846.db2.gz VDSXQCSJGFDAGB-RKDXNWHRSA-N 1 2 268.254 1.653 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nnc(C)o2)C1 ZINC001182947217 918220269 /nfs/dbraw/zinc/22/02/69/918220269.db2.gz QNYDFTAOOAUZEV-WCQYABFASA-N 1 2 292.383 1.986 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCOC(C)C)C1 ZINC001107756228 918740166 /nfs/dbraw/zinc/74/01/66/918740166.db2.gz WVAOTHKVQAFKGM-HNNXBMFYSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCOC(C)C)C1 ZINC001107756228 918740180 /nfs/dbraw/zinc/74/01/80/918740180.db2.gz WVAOTHKVQAFKGM-HNNXBMFYSA-N 1 2 284.400 1.195 20 30 CDEDLO N#Cc1ccc(NC(=O)CCc2ccc(N)[nH+]c2)c(O)c1 ZINC001183934574 918749901 /nfs/dbraw/zinc/74/99/01/918749901.db2.gz LEQYOCDZGQOBST-UHFFFAOYSA-N 1 2 282.303 1.812 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2scnc2C)C1 ZINC001107766249 918758779 /nfs/dbraw/zinc/75/87/79/918758779.db2.gz NQLMQVGJIKZJLB-CQSZACIVSA-N 1 2 295.408 1.458 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2scnc2C)C1 ZINC001107766249 918758792 /nfs/dbraw/zinc/75/87/92/918758792.db2.gz NQLMQVGJIKZJLB-CQSZACIVSA-N 1 2 295.408 1.458 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CSCCC)C1 ZINC001107774528 918776025 /nfs/dbraw/zinc/77/60/25/918776025.db2.gz FFDRMOJGYSISBM-AWEZNQCLSA-N 1 2 286.441 1.523 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CSCCC)C1 ZINC001107774528 918776039 /nfs/dbraw/zinc/77/60/39/918776039.db2.gz FFDRMOJGYSISBM-AWEZNQCLSA-N 1 2 286.441 1.523 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCCCO2)C1 ZINC001107859968 918911286 /nfs/dbraw/zinc/91/12/86/918911286.db2.gz ISFIMCAPTBWLOS-HOCLYGCPSA-N 1 2 296.411 1.339 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCCCO2)C1 ZINC001107859968 918911305 /nfs/dbraw/zinc/91/13/05/918911305.db2.gz ISFIMCAPTBWLOS-HOCLYGCPSA-N 1 2 296.411 1.339 20 30 CDEDLO CCCC#CC(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC001184271163 918961396 /nfs/dbraw/zinc/96/13/96/918961396.db2.gz NUKJRSAHOYAZFS-UHFFFAOYSA-N 1 2 285.391 1.572 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CO[C@@H](C)CC)C1 ZINC001107879041 918967301 /nfs/dbraw/zinc/96/73/01/918967301.db2.gz PEKWIZWUHDFRBA-HOCLYGCPSA-N 1 2 296.411 1.032 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CO[C@@H](C)CC)C1 ZINC001107879041 918967304 /nfs/dbraw/zinc/96/73/04/918967304.db2.gz PEKWIZWUHDFRBA-HOCLYGCPSA-N 1 2 296.411 1.032 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc3c(c2)CCCO3)CC1 ZINC001138716984 936560853 /nfs/dbraw/zinc/56/08/53/936560853.db2.gz DJJWKTNRLCUDGJ-UHFFFAOYSA-N 1 2 270.376 1.762 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001185048986 919379241 /nfs/dbraw/zinc/37/92/41/919379241.db2.gz HFZZTZCNOKTGOF-DGCLKSJQSA-N 1 2 292.383 1.671 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001185057142 919385081 /nfs/dbraw/zinc/38/50/81/919385081.db2.gz YMXLPIRIYZAICS-WCQYABFASA-N 1 2 292.383 1.671 20 30 CDEDLO C=C(C)CCC(=O)NC[C@@]1(C)C[N@H+](CC#CC)CCO1 ZINC001107976560 919435295 /nfs/dbraw/zinc/43/52/95/919435295.db2.gz PGTWTVPVTKJCFB-INIZCTEOSA-N 1 2 278.396 1.573 20 30 CDEDLO C=C(C)CCC(=O)NC[C@@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001107976560 919435307 /nfs/dbraw/zinc/43/53/07/919435307.db2.gz PGTWTVPVTKJCFB-INIZCTEOSA-N 1 2 278.396 1.573 20 30 CDEDLO N#Cc1cccc2c1c(N)nn2-c1ccc[nH+]c1N ZINC001212393301 919498982 /nfs/dbraw/zinc/49/89/82/919498982.db2.gz BJQOEQWCKIXOFM-UHFFFAOYSA-N 1 2 250.265 1.457 20 30 CDEDLO CC[C@@H](CC#N)[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC001255174588 936585275 /nfs/dbraw/zinc/58/52/75/936585275.db2.gz YTOPQZVNGFNWMJ-AWEZNQCLSA-N 1 2 265.401 1.865 20 30 CDEDLO C=CCCCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc(C)no2)C1 ZINC001185280855 919520889 /nfs/dbraw/zinc/52/08/89/919520889.db2.gz ZUJSWEADGKWRTG-DGCLKSJQSA-N 1 2 292.383 1.986 20 30 CDEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1nc(C)c[nH]1 ZINC001272908631 920019027 /nfs/dbraw/zinc/01/90/27/920019027.db2.gz YRSXDOANNODNED-MRXNPFEDSA-N 1 2 288.395 1.861 20 30 CDEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1nc(C)c[nH]1 ZINC001272908631 920019045 /nfs/dbraw/zinc/01/90/45/920019045.db2.gz YRSXDOANNODNED-MRXNPFEDSA-N 1 2 288.395 1.861 20 30 CDEDLO C=CCn1cc(CN2CC([NH+]3C[C@H](C)O[C@@H](C)C3)C2)cn1 ZINC001139774323 936646113 /nfs/dbraw/zinc/64/61/13/936646113.db2.gz AROSYWUDVXHQIY-KBPBESRZSA-N 1 2 290.411 1.363 20 30 CDEDLO C=CCn1cc(C[N@@H+](C)C2CCS(=O)(=O)CC2)cn1 ZINC001139772976 936646142 /nfs/dbraw/zinc/64/61/42/936646142.db2.gz VXQFNYPCTMZKDW-UHFFFAOYSA-N 1 2 283.397 1.078 20 30 CDEDLO C=CCn1cc(C[N@H+](C)C2CCS(=O)(=O)CC2)cn1 ZINC001139772976 936646143 /nfs/dbraw/zinc/64/61/43/936646143.db2.gz VXQFNYPCTMZKDW-UHFFFAOYSA-N 1 2 283.397 1.078 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](Cc3cnns3)C[C@H]21 ZINC001187240069 920422674 /nfs/dbraw/zinc/42/26/74/920422674.db2.gz LRCBZRCYAXOHOW-WCQYABFASA-N 1 2 292.408 1.537 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cnns3)C[C@H]21 ZINC001187240069 920422677 /nfs/dbraw/zinc/42/26/77/920422677.db2.gz LRCBZRCYAXOHOW-WCQYABFASA-N 1 2 292.408 1.537 20 30 CDEDLO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(C#N)c1 ZINC001139879017 936655712 /nfs/dbraw/zinc/65/57/12/936655712.db2.gz FCQBFLHSUUGBCV-AWEZNQCLSA-N 1 2 275.327 1.798 20 30 CDEDLO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(F)cc(C#N)c1 ZINC001139879017 936655713 /nfs/dbraw/zinc/65/57/13/936655713.db2.gz FCQBFLHSUUGBCV-AWEZNQCLSA-N 1 2 275.327 1.798 20 30 CDEDLO C=CC[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC001140055321 936674494 /nfs/dbraw/zinc/67/44/94/936674494.db2.gz DFQJUJUTSXMRIZ-UHFFFAOYSA-N 1 2 250.317 1.835 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2csc(Cl)c2)[C@@H](O)C1 ZINC001083834219 921817432 /nfs/dbraw/zinc/81/74/32/921817432.db2.gz SVLCDITXVBXXEY-MNOVXSKESA-N 1 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/nfs/dbraw/zinc/40/71/77/926407177.db2.gz IVZZMBBQDIPCSK-IUODEOHRSA-N 1 2 280.368 1.191 20 30 CDEDLO COCCn1c[nH+]cc1CNC(=O)C#Cc1ccccc1 ZINC001142862490 937082097 /nfs/dbraw/zinc/08/20/97/937082097.db2.gz MXAVGPYRCUWGJQ-UHFFFAOYSA-N 1 2 283.331 1.197 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc([C@@H](C)CC)no1 ZINC001085860355 926459819 /nfs/dbraw/zinc/45/98/19/926459819.db2.gz XBUKBYVQOCNYTQ-STQMWFEESA-N 1 2 289.379 1.968 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc([C@@H](C)CC)no1 ZINC001085860355 926459821 /nfs/dbraw/zinc/45/98/21/926459821.db2.gz XBUKBYVQOCNYTQ-STQMWFEESA-N 1 2 289.379 1.968 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C(N)=O)s1 ZINC001085871463 926466588 /nfs/dbraw/zinc/46/65/88/926466588.db2.gz VWYQBJKGALIYID-SNVBAGLBSA-N 1 2 293.392 1.179 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C(N)=O)s1 ZINC001085871463 926466592 /nfs/dbraw/zinc/46/65/92/926466592.db2.gz VWYQBJKGALIYID-SNVBAGLBSA-N 1 2 293.392 1.179 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(OC)n1 ZINC001085903971 926494954 /nfs/dbraw/zinc/49/49/54/926494954.db2.gz UOFGQPBNYJMSAQ-CYBMUJFWSA-N 1 2 287.363 1.260 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(OC)n1 ZINC001085903971 926494961 /nfs/dbraw/zinc/49/49/61/926494961.db2.gz UOFGQPBNYJMSAQ-CYBMUJFWSA-N 1 2 287.363 1.260 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)onc1CC ZINC001085967616 926553714 /nfs/dbraw/zinc/55/37/14/926553714.db2.gz QXPYWZMVLHCZNA-CYBMUJFWSA-N 1 2 289.379 1.715 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)onc1CC ZINC001085967616 926553718 /nfs/dbraw/zinc/55/37/18/926553718.db2.gz QXPYWZMVLHCZNA-CYBMUJFWSA-N 1 2 289.379 1.715 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC23CCC3)C1 ZINC001108248479 926772667 /nfs/dbraw/zinc/77/26/67/926772667.db2.gz KDVOPOBTXNAYHE-HIFRSBDPSA-N 1 2 278.396 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC23CCC3)C1 ZINC001108248479 926772678 /nfs/dbraw/zinc/77/26/78/926772678.db2.gz KDVOPOBTXNAYHE-HIFRSBDPSA-N 1 2 278.396 1.570 20 30 CDEDLO CCOC(=O)CN(CCC#N)Cc1ccc(C)[nH+]c1N ZINC001143207587 937135634 /nfs/dbraw/zinc/13/56/34/937135634.db2.gz ZSIILRGZHFHDFL-UHFFFAOYSA-N 1 2 276.340 1.251 20 30 CDEDLO CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1ccc(C#N)nc1 ZINC001103334415 937137121 /nfs/dbraw/zinc/13/71/21/937137121.db2.gz BMUUJHWDHOFHHO-LLVKDONJSA-N 1 2 298.350 1.226 20 30 CDEDLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)CNc1ccc(C#N)cn1 ZINC001104002187 937184288 /nfs/dbraw/zinc/18/42/88/937184288.db2.gz MQARRWFLAZYXNP-GFCCVEGCSA-N 1 2 298.350 1.014 20 30 CDEDLO CCOC(=O)c1cnc2cc(N3CC[NH2+]C[C@@H]3C#N)[nH]cc1-2 ZINC001156328033 928129707 /nfs/dbraw/zinc/12/97/07/928129707.db2.gz YOJHCPDUBSGIHH-JTQLQIEISA-N 1 2 299.334 1.041 20 30 CDEDLO COc1nc(C)c(NC[C@@H]2COCC[N@@H+]2C)c(C)c1C#N ZINC001169654230 928289615 /nfs/dbraw/zinc/28/96/15/928289615.db2.gz PFPOQNYAQFSWSN-GFCCVEGCSA-N 1 2 290.367 1.321 20 30 CDEDLO COc1nc(C)c(NC[C@@H]2COCC[N@H+]2C)c(C)c1C#N ZINC001169654230 928289629 /nfs/dbraw/zinc/28/96/29/928289629.db2.gz PFPOQNYAQFSWSN-GFCCVEGCSA-N 1 2 290.367 1.321 20 30 CDEDLO C=CC[C@@H](Nc1ccn2cc(N)[nH+]c2c1)C(=O)OC ZINC001169839160 928461394 /nfs/dbraw/zinc/46/13/94/928461394.db2.gz SWQRLYAMSGHISY-SNVBAGLBSA-N 1 2 260.297 1.446 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3ncncc3c2)CC1 ZINC001151770843 937304213 /nfs/dbraw/zinc/30/42/13/937304213.db2.gz TVVJVFANQGUVFS-UHFFFAOYSA-N 1 2 282.347 1.574 20 30 CDEDLO C=CCCC(=O)NCC1(Nc2cc[nH+]c(C)n2)CC1 ZINC001110080084 929194344 /nfs/dbraw/zinc/19/43/44/929194344.db2.gz JYRRYRJQYZXBDX-UHFFFAOYSA-N 1 2 260.341 1.812 20 30 CDEDLO CC(C)=CC[NH+]1CCN(C(=O)CSCC#N)CC1 ZINC001112629808 929269111 /nfs/dbraw/zinc/26/91/11/929269111.db2.gz ADNGAUJGBJKKPU-UHFFFAOYSA-N 1 2 267.398 1.354 20 30 CDEDLO C=CCOCC(=O)N1CC[NH+](CCc2ccns2)CC1 ZINC001112710648 929351838 /nfs/dbraw/zinc/35/18/38/929351838.db2.gz FIZMTERMCYXXCF-UHFFFAOYSA-N 1 2 295.408 1.032 20 30 CDEDLO CC[N@H+](Cc1nc(C)cs1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152449700 937363203 /nfs/dbraw/zinc/36/32/03/937363203.db2.gz IEQJUJUXJSOARJ-ZYHUDNBSSA-N 1 2 294.424 1.938 20 30 CDEDLO CC[N@@H+](Cc1nc(C)cs1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152449700 937363204 /nfs/dbraw/zinc/36/32/04/937363204.db2.gz IEQJUJUXJSOARJ-ZYHUDNBSSA-N 1 2 294.424 1.938 20 30 CDEDLO C#CC[N@H+](CC1CC1)CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC001116368814 937444463 /nfs/dbraw/zinc/44/44/63/937444463.db2.gz HSJSEPDNUAQXCP-MRXNPFEDSA-N 1 2 276.380 1.710 20 30 CDEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC001116368814 937444466 /nfs/dbraw/zinc/44/44/66/937444466.db2.gz HSJSEPDNUAQXCP-MRXNPFEDSA-N 1 2 276.380 1.710 20 30 CDEDLO C=CC[C@@H]1NC(=O)N(CCCNc2cccc[nH+]2)C1=O ZINC001116768432 937470300 /nfs/dbraw/zinc/47/03/00/937470300.db2.gz MHECVSYIPRZXSA-NSHDSACASA-N 1 2 274.324 1.380 20 30 CDEDLO CCOC(=O)c1c(C[N@@H+]2CCC[C@@H](CC#N)C2)cnn1C ZINC001136908681 931475890 /nfs/dbraw/zinc/47/58/90/931475890.db2.gz NAOZDUWGSHYCOT-LBPRGKRZSA-N 1 2 290.367 1.722 20 30 CDEDLO CCOC(=O)c1c(C[N@H+]2CCC[C@@H](CC#N)C2)cnn1C ZINC001136908681 931475895 /nfs/dbraw/zinc/47/58/95/931475895.db2.gz NAOZDUWGSHYCOT-LBPRGKRZSA-N 1 2 290.367 1.722 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cnsc2)C1=O ZINC001274514991 931505472 /nfs/dbraw/zinc/50/54/72/931505472.db2.gz KYHMWQWFGDVAHS-CQSZACIVSA-N 1 2 277.393 1.896 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cnsc2)C1=O ZINC001274514991 931505474 /nfs/dbraw/zinc/50/54/74/931505474.db2.gz KYHMWQWFGDVAHS-CQSZACIVSA-N 1 2 277.393 1.896 20 30 CDEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cnc(C)[nH]1 ZINC001274575993 931510004 /nfs/dbraw/zinc/51/00/04/931510004.db2.gz JEUAIXVDQYMRIL-ZIAGYGMSSA-N 1 2 274.368 1.469 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2cncc(C#N)c2)Cc2ncn(C)c21 ZINC001144075141 931648503 /nfs/dbraw/zinc/64/85/03/931648503.db2.gz KDUXEAXLZDSPFD-CQSZACIVSA-N 1 2 297.362 1.433 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2cncc(C#N)c2)Cc2ncn(C)c21 ZINC001144075141 931648508 /nfs/dbraw/zinc/64/85/08/931648508.db2.gz KDUXEAXLZDSPFD-CQSZACIVSA-N 1 2 297.362 1.433 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+]([C@H](C)Cc2cccc(C#N)c2)CCO1 ZINC001171204110 931944061 /nfs/dbraw/zinc/94/40/61/931944061.db2.gz TZHHGKQWSMUHFX-IUODEOHRSA-N 1 2 288.347 1.363 20 30 CDEDLO COC(=O)[C@H]1C[N@H+]([C@H](C)Cc2cccc(C#N)c2)CCO1 ZINC001171204110 931944063 /nfs/dbraw/zinc/94/40/63/931944063.db2.gz TZHHGKQWSMUHFX-IUODEOHRSA-N 1 2 288.347 1.363 20 30 CDEDLO N=C(Nc1cccn2cc[nH+]c12)c1ccc(C(N)=O)cc1 ZINC001171255651 932158325 /nfs/dbraw/zinc/15/83/25/932158325.db2.gz DGXXEUOOZRGRJL-UHFFFAOYSA-N 1 2 279.303 1.470 20 30 CDEDLO C[C@H](C[C@H](C)NC(=O)CCCn1cc[nH+]c1)NCC#N ZINC001146706178 932285422 /nfs/dbraw/zinc/28/54/22/932285422.db2.gz AIXZMDLUAYVPOA-OLZOCXBDSA-N 1 2 277.372 1.060 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)CC)C1 ZINC001148951358 932807903 /nfs/dbraw/zinc/80/79/03/932807903.db2.gz QEUAMIKIYCMTQK-LLVKDONJSA-N 1 2 260.765 1.356 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)CC)C1 ZINC001148951358 932807907 /nfs/dbraw/zinc/80/79/07/932807907.db2.gz QEUAMIKIYCMTQK-LLVKDONJSA-N 1 2 260.765 1.356 20 30 CDEDLO C#CCCCC(=O)NCC1(Nc2cc[nH+]c(C)n2)CC1 ZINC001110124549 932888236 /nfs/dbraw/zinc/88/82/36/932888236.db2.gz RUCCRCVUMHTGFI-UHFFFAOYSA-N 1 2 272.352 1.649 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)C)c1nccn12 ZINC001092349441 932936249 /nfs/dbraw/zinc/93/62/49/932936249.db2.gz GNSPQQMHNMGGQR-LBPRGKRZSA-N 1 2 274.368 1.297 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001114681308 934910209 /nfs/dbraw/zinc/91/02/09/934910209.db2.gz RUNMGSVWBJJIOH-ITGUQSILSA-N 1 2 290.367 1.218 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001114681308 934910213 /nfs/dbraw/zinc/91/02/13/934910213.db2.gz RUNMGSVWBJJIOH-ITGUQSILSA-N 1 2 290.367 1.218 20 30 CDEDLO N#Cc1cccc(NC(=O)N2CCc3[nH+]ccn3CC2)c1 ZINC001202785632 935588501 /nfs/dbraw/zinc/58/85/01/935588501.db2.gz MSRKMLXQFRVXBE-UHFFFAOYSA-N 1 2 281.319 1.845 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1conc1C1CC1 ZINC001038704644 935753947 /nfs/dbraw/zinc/75/39/47/935753947.db2.gz XTEAMUUZZYBNNS-LBPRGKRZSA-N 1 2 273.336 1.379 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1conc1C1CC1 ZINC001038704644 935753950 /nfs/dbraw/zinc/75/39/50/935753950.db2.gz XTEAMUUZZYBNNS-LBPRGKRZSA-N 1 2 273.336 1.379 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1ccc2cccc(F)c2n1 ZINC001156327881 938353081 /nfs/dbraw/zinc/35/30/81/938353081.db2.gz QLBTYYKETLSIIJ-NSHDSACASA-N 1 2 256.284 1.676 20 30 CDEDLO COc1cc(C)c2ncnc(N3CC[NH2+]C[C@@H]3C#N)c2c1 ZINC001156332298 938353089 /nfs/dbraw/zinc/35/30/89/938353089.db2.gz IKFAFYHDFHDDMT-NSHDSACASA-N 1 2 283.335 1.249 20 30 CDEDLO N#Cc1c[nH]c2nc(NCc3cc[nH+]c(N)c3)ncc12 ZINC001156760660 938415134 /nfs/dbraw/zinc/41/51/34/938415134.db2.gz MPMQCLHKAXEUQX-UHFFFAOYSA-N 1 2 265.280 1.419 20 30 CDEDLO C[NH+]1CC(NC(=O)c2cccc3c(C#N)c[nH]c32)C1 ZINC001157172092 938462143 /nfs/dbraw/zinc/46/21/43/938462143.db2.gz UWTODFKKFXMRFH-UHFFFAOYSA-N 1 2 254.293 1.083 20 30 CDEDLO C[C@@H]1C[N@H+](C2CN(c3ccc(C#N)cn3)C2)C[C@H](C)O1 ZINC001158717198 938655715 /nfs/dbraw/zinc/65/57/15/938655715.db2.gz JXXFRQQGWPDTED-TXEJJXNPSA-N 1 2 272.352 1.251 20 30 CDEDLO C[C@@H]1C[N@@H+](C2CN(c3ccc(C#N)cn3)C2)C[C@H](C)O1 ZINC001158717198 938655717 /nfs/dbraw/zinc/65/57/17/938655717.db2.gz JXXFRQQGWPDTED-TXEJJXNPSA-N 1 2 272.352 1.251 20 30 CDEDLO C#CC[N@H+]1CC=C(CCNC(=O)c2[nH]nc3c2CCC3)CC1 ZINC001160567878 938799023 /nfs/dbraw/zinc/79/90/23/938799023.db2.gz OTALHGNYRCHHNX-UHFFFAOYSA-N 1 2 298.390 1.284 20 30 CDEDLO C#CC[N@@H+]1CC=C(CCNC(=O)c2[nH]nc3c2CCC3)CC1 ZINC001160567878 938799025 /nfs/dbraw/zinc/79/90/25/938799025.db2.gz OTALHGNYRCHHNX-UHFFFAOYSA-N 1 2 298.390 1.284 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CCNC(=O)c2cn[nH]n2)CC1 ZINC001160574403 938799677 /nfs/dbraw/zinc/79/96/77/938799677.db2.gz SOKZRCHYHDZGNB-UHFFFAOYSA-N 1 2 295.774 1.309 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)c2cn[nH]n2)CC1 ZINC001160574403 938799680 /nfs/dbraw/zinc/79/96/80/938799680.db2.gz SOKZRCHYHDZGNB-UHFFFAOYSA-N 1 2 295.774 1.309 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CCNC(=O)c2cnn[nH]2)CC1 ZINC001160574403 938799682 /nfs/dbraw/zinc/79/96/82/938799682.db2.gz SOKZRCHYHDZGNB-UHFFFAOYSA-N 1 2 295.774 1.309 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)c2cnn[nH]2)CC1 ZINC001160574403 938799685 /nfs/dbraw/zinc/79/96/85/938799685.db2.gz SOKZRCHYHDZGNB-UHFFFAOYSA-N 1 2 295.774 1.309 20 30 CDEDLO CC(C)C[C@H](Nc1cc(CC#N)cc[nH+]1)C(=O)NO ZINC001163420145 939267151 /nfs/dbraw/zinc/26/71/51/939267151.db2.gz COYMRQCTJHHSTM-NSHDSACASA-N 1 2 262.313 1.480 20 30 CDEDLO CC(=O)C=C(C)Nc1cc(N2CCOCC2)nc(C)[nH+]1 ZINC001163733447 939317408 /nfs/dbraw/zinc/31/74/08/939317408.db2.gz PQDTXZHIWMEXLL-NTMALXAHSA-N 1 2 276.340 1.526 20 30 CDEDLO C#CC[NH2+]CC1(CCNC(=O)C(F)C(F)(F)F)CC1 ZINC001164596764 939497655 /nfs/dbraw/zinc/49/76/55/939497655.db2.gz RIKLNDURZWUDHR-VIFPVBQESA-N 1 2 280.265 1.396 20 30 CDEDLO C#CC[NH2+]CC1(CCNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001164596764 939497657 /nfs/dbraw/zinc/49/76/57/939497657.db2.gz RIKLNDURZWUDHR-VIFPVBQESA-N 1 2 280.265 1.396 20 30 CDEDLO CCCc1cc(N2CCN(CCC#N)CC2)nc(C)[nH+]1 ZINC001165055659 939505083 /nfs/dbraw/zinc/50/50/83/939505083.db2.gz RWACQRMIJYIOBD-UHFFFAOYSA-N 1 2 273.384 1.773 20 30 CDEDLO N#Cc1cccc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)c1 ZINC001203762585 939703208 /nfs/dbraw/zinc/70/32/08/939703208.db2.gz LCNDTJGQIDCLRC-AWEZNQCLSA-N 1 2 259.328 1.786 20 30 CDEDLO N#Cc1cccc(CN2CC([N@H+]3CC[C@H](F)C3)C2)c1 ZINC001203762585 939703211 /nfs/dbraw/zinc/70/32/11/939703211.db2.gz LCNDTJGQIDCLRC-AWEZNQCLSA-N 1 2 259.328 1.786 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C)nn2C)C1 ZINC001205940870 939958484 /nfs/dbraw/zinc/95/84/84/939958484.db2.gz ATZQLQFHHHVKLT-CYBMUJFWSA-N 1 2 292.383 1.605 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)nn2C)C1 ZINC001205940870 939958489 /nfs/dbraw/zinc/95/84/89/939958489.db2.gz ATZQLQFHHHVKLT-CYBMUJFWSA-N 1 2 292.383 1.605 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)COC)C1 ZINC001206551196 940059617 /nfs/dbraw/zinc/05/96/17/940059617.db2.gz CVRQHXNTRFIDNL-CKYFFXLPSA-N 1 2 274.792 1.458 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)COC)C1 ZINC001206551196 940059620 /nfs/dbraw/zinc/05/96/20/940059620.db2.gz CVRQHXNTRFIDNL-CKYFFXLPSA-N 1 2 274.792 1.458 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nonc2C)C[C@H]1C ZINC001206912371 940110636 /nfs/dbraw/zinc/11/06/36/940110636.db2.gz HWBPHFRAXNPRRJ-DGCLKSJQSA-N 1 2 290.367 1.118 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2nonc2C)C[C@H]1C ZINC001206912371 940110639 /nfs/dbraw/zinc/11/06/39/940110639.db2.gz HWBPHFRAXNPRRJ-DGCLKSJQSA-N 1 2 290.367 1.118 20 30 CDEDLO C=CCN(CC[N@@H+](C)C1COC1)C(=O)OC(C)(C)C ZINC001207206182 940167022 /nfs/dbraw/zinc/16/70/22/940167022.db2.gz QUSZDVLRMOEBPS-UHFFFAOYSA-N 1 2 270.373 1.740 20 30 CDEDLO C=CCN(CC[N@H+](C)C1COC1)C(=O)OC(C)(C)C ZINC001207206182 940167023 /nfs/dbraw/zinc/16/70/23/940167023.db2.gz QUSZDVLRMOEBPS-UHFFFAOYSA-N 1 2 270.373 1.740 20 30 CDEDLO CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001208956244 940411961 /nfs/dbraw/zinc/41/19/61/940411961.db2.gz BDZMQUAFLHDOQB-TZMCWYRMSA-N 1 2 294.420 1.519 20 30 CDEDLO CC(=O)N1CCC[C@H](C[N@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001208956244 940411963 /nfs/dbraw/zinc/41/19/63/940411963.db2.gz BDZMQUAFLHDOQB-TZMCWYRMSA-N 1 2 294.420 1.519 20 30 CDEDLO CC(C)(C)OC(=O)N1CC[C@@H]1C[N@@H+]1CC[C@H](C#N)C1 ZINC001208998148 940421153 /nfs/dbraw/zinc/42/11/53/940421153.db2.gz ITFINVXDUDERAH-VXGBXAGGSA-N 1 2 265.357 1.841 20 30 CDEDLO CC(C)(C)OC(=O)N1CC[C@@H]1C[N@H+]1CC[C@H](C#N)C1 ZINC001208998148 940421154 /nfs/dbraw/zinc/42/11/54/940421154.db2.gz ITFINVXDUDERAH-VXGBXAGGSA-N 1 2 265.357 1.841 20 30 CDEDLO Cn1cc(CN2CC3(CC[N@@H+]3Cc3ccc[nH]3)C2)cc1C#N ZINC001276607977 940423106 /nfs/dbraw/zinc/42/31/06/940423106.db2.gz IRSGHNBDZQRAIP-UHFFFAOYSA-N 1 2 295.390 1.685 20 30 CDEDLO Cn1cc(CN2CC3(CC[N@H+]3Cc3ccc[nH]3)C2)cc1C#N ZINC001276607977 940423107 /nfs/dbraw/zinc/42/31/07/940423107.db2.gz IRSGHNBDZQRAIP-UHFFFAOYSA-N 1 2 295.390 1.685 20 30 CDEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1CCCOC ZINC001209049382 940431291 /nfs/dbraw/zinc/43/12/91/940431291.db2.gz FXGHUPYYZKPNCB-CQSZACIVSA-N 1 2 294.399 1.436 20 30 CDEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1CCCOC ZINC001209049382 940431293 /nfs/dbraw/zinc/43/12/93/940431293.db2.gz FXGHUPYYZKPNCB-CQSZACIVSA-N 1 2 294.399 1.436 20 30 CDEDLO N#CCCNCc1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001211455153 940755805 /nfs/dbraw/zinc/75/58/05/940755805.db2.gz ZYQQOLASUNKDTG-UHFFFAOYSA-N 1 2 294.318 1.926 20 30 CDEDLO COc1ccc(OC)c(/C(=N/O)O[C@H]2CCC[NH2+]C2)c1 ZINC001217855163 941024208 /nfs/dbraw/zinc/02/42/08/941024208.db2.gz DJHNPEVSPAIISQ-NLPIWRNCSA-N 1 2 280.324 1.608 20 30 CDEDLO C=C1CC[NH2+]C[C@@H]1Oc1[nH]c(=O)nc2ccc(C)cc21 ZINC001218203404 941043809 /nfs/dbraw/zinc/04/38/09/941043809.db2.gz FGRDXIGHRUIZEI-ZDUSSCGKSA-N 1 2 271.320 1.941 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3(COC)CC3)[C@@H]2C1 ZINC001221688562 941545463 /nfs/dbraw/zinc/54/54/63/941545463.db2.gz CMGYMYMGCGVEKN-CHWSQXEVSA-N 1 2 298.814 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(COC)CC3)[C@@H]2C1 ZINC001221688562 941545465 /nfs/dbraw/zinc/54/54/65/941545465.db2.gz CMGYMYMGCGVEKN-CHWSQXEVSA-N 1 2 298.814 1.698 20 30 CDEDLO N#Cc1ccc(N2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)cc1 ZINC001276960854 941737987 /nfs/dbraw/zinc/73/79/87/941737987.db2.gz UXHQGHUUIRPLJG-UHFFFAOYSA-N 1 2 279.347 1.604 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(F)ccc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225902613 941927964 /nfs/dbraw/zinc/92/79/64/941927964.db2.gz LRXAPZZFRCKNJT-LSVRBPJHSA-N 1 2 267.275 1.956 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(F)ccc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225902613 941927965 /nfs/dbraw/zinc/92/79/65/941927965.db2.gz LRXAPZZFRCKNJT-LSVRBPJHSA-N 1 2 267.275 1.956 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(F)nc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226694032 942051526 /nfs/dbraw/zinc/05/15/26/942051526.db2.gz BIRJOFMUAWZIRW-NJFCNUMCSA-N 1 2 250.273 1.212 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(F)nc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226694032 942051530 /nfs/dbraw/zinc/05/15/30/942051530.db2.gz BIRJOFMUAWZIRW-NJFCNUMCSA-N 1 2 250.273 1.212 20 30 CDEDLO CC(=O)/C=C\c1ccc(OC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001228494926 942327778 /nfs/dbraw/zinc/32/77/78/942327778.db2.gz USTZNEMCVMSMAX-QGZUEGPWSA-N 1 2 275.348 1.998 20 30 CDEDLO CC(=O)/C=C\c1ccc(OC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001228494926 942327782 /nfs/dbraw/zinc/32/77/82/942327782.db2.gz USTZNEMCVMSMAX-QGZUEGPWSA-N 1 2 275.348 1.998 20 30 CDEDLO Cc1cc(C[NH+]2CC3(C[C@H]3C(=O)NC3(C#N)CCC3)C2)[nH]n1 ZINC001277350925 942410665 /nfs/dbraw/zinc/41/06/65/942410665.db2.gz QXAXODPCOWADQY-ZDUSSCGKSA-N 1 2 299.378 1.103 20 30 CDEDLO COC[C@H](C)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230533404 942633293 /nfs/dbraw/zinc/63/32/93/942633293.db2.gz LSHJDRWHVUYAIQ-ZFWWWQNUSA-N 1 2 293.411 1.495 20 30 CDEDLO COC[C@H](C)C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001230533404 942633294 /nfs/dbraw/zinc/63/32/94/942633294.db2.gz LSHJDRWHVUYAIQ-ZFWWWQNUSA-N 1 2 293.411 1.495 20 30 CDEDLO Cc1cc(C)c(CNC(=O)c2cccc(C#N)n2)c[nH+]1 ZINC001525405566 970955501 /nfs/dbraw/zinc/95/55/01/970955501.db2.gz OJENONGQOBWWBO-UHFFFAOYSA-N 1 2 266.304 1.895 20 30 CDEDLO N#Cc1ccc(CCC[NH+]2CC3(C2)CC[C@H](C(N)=O)O3)cc1 ZINC001277590292 943068377 /nfs/dbraw/zinc/06/83/77/943068377.db2.gz XZOUFHTVVZBFOB-OAHLLOKOSA-N 1 2 299.374 1.210 20 30 CDEDLO C[C@@H]1C[N@H+](C2CN(Cc3cc(C#N)ccn3)C2)C[C@H](C)O1 ZINC001232481787 943295319 /nfs/dbraw/zinc/29/53/19/943295319.db2.gz IDCXXOJQAJBMFU-BETUJISGSA-N 1 2 286.379 1.247 20 30 CDEDLO C[C@@H]1C[N@@H+](C2CN(Cc3cc(C#N)ccn3)C2)C[C@H](C)O1 ZINC001232481787 943295323 /nfs/dbraw/zinc/29/53/23/943295323.db2.gz IDCXXOJQAJBMFU-BETUJISGSA-N 1 2 286.379 1.247 20 30 CDEDLO COC(=O)[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232673838 943355434 /nfs/dbraw/zinc/35/54/34/943355434.db2.gz OBSMNVAOQSGQBW-LBPRGKRZSA-N 1 2 274.320 1.649 20 30 CDEDLO COC(=O)[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232673838 943355438 /nfs/dbraw/zinc/35/54/38/943355438.db2.gz OBSMNVAOQSGQBW-LBPRGKRZSA-N 1 2 274.320 1.649 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2O)C[C@@]1(C)O ZINC001232674196 943356221 /nfs/dbraw/zinc/35/62/21/943356221.db2.gz SROWTGJOWZUOMN-IAQYHMDHSA-N 1 2 260.337 1.857 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)C[C@@]1(C)O ZINC001232674196 943356226 /nfs/dbraw/zinc/35/62/26/943356226.db2.gz SROWTGJOWZUOMN-IAQYHMDHSA-N 1 2 260.337 1.857 20 30 CDEDLO Cc1noc([C@H]2CC[N@H+](Cc3cc(C#N)ccc3O)C2)n1 ZINC001232678745 943359332 /nfs/dbraw/zinc/35/93/32/943359332.db2.gz OFJOJLFHICGDEK-LBPRGKRZSA-N 1 2 284.319 1.945 20 30 CDEDLO Cc1noc([C@H]2CC[N@@H+](Cc3cc(C#N)ccc3O)C2)n1 ZINC001232678745 943359334 /nfs/dbraw/zinc/35/93/34/943359334.db2.gz OFJOJLFHICGDEK-LBPRGKRZSA-N 1 2 284.319 1.945 20 30 CDEDLO CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1[nH]ccc1C#N ZINC001233043149 943473496 /nfs/dbraw/zinc/47/34/96/943473496.db2.gz FRIBBNFBKHWVMW-OAHLLOKOSA-N 1 2 272.352 1.473 20 30 CDEDLO CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1[nH]ccc1C#N ZINC001233043149 943473499 /nfs/dbraw/zinc/47/34/99/943473499.db2.gz FRIBBNFBKHWVMW-OAHLLOKOSA-N 1 2 272.352 1.473 20 30 CDEDLO COC(=O)c1ccc(OC[C@@H]2C[N@H+](C)CCO2)c(C#N)c1 ZINC001233629964 943629201 /nfs/dbraw/zinc/62/92/01/943629201.db2.gz CCHUPAGGFQDKSM-ZDUSSCGKSA-N 1 2 290.319 1.054 20 30 CDEDLO COC(=O)c1ccc(OC[C@@H]2C[N@@H+](C)CCO2)c(C#N)c1 ZINC001233629964 943629203 /nfs/dbraw/zinc/62/92/03/943629203.db2.gz CCHUPAGGFQDKSM-ZDUSSCGKSA-N 1 2 290.319 1.054 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(C)no1 ZINC001233958980 943700747 /nfs/dbraw/zinc/70/07/47/943700747.db2.gz WWJSTXHVUHGCBL-AWEZNQCLSA-N 1 2 289.379 1.819 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(C)no1 ZINC001233958980 943700749 /nfs/dbraw/zinc/70/07/49/943700749.db2.gz WWJSTXHVUHGCBL-AWEZNQCLSA-N 1 2 289.379 1.819 20 30 CDEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cncs1 ZINC001234160884 943760966 /nfs/dbraw/zinc/76/09/66/943760966.db2.gz KBDVICIYQQEWHN-ZDUSSCGKSA-N 1 2 291.420 1.835 20 30 CDEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cncs1 ZINC001234160884 943760972 /nfs/dbraw/zinc/76/09/72/943760972.db2.gz KBDVICIYQQEWHN-ZDUSSCGKSA-N 1 2 291.420 1.835 20 30 CDEDLO C#CCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCF)CCC1 ZINC001235210427 944094345 /nfs/dbraw/zinc/09/43/45/944094345.db2.gz SGUJKFGDQYCDIB-ZDUSSCGKSA-N 1 2 266.360 1.682 20 30 CDEDLO C#CCC1(C(=O)N(C)C[C@@H]2CC[N@H+]2CCF)CCC1 ZINC001235210427 944094353 /nfs/dbraw/zinc/09/43/53/944094353.db2.gz SGUJKFGDQYCDIB-ZDUSSCGKSA-N 1 2 266.360 1.682 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)ccn1 ZINC001237469635 944801915 /nfs/dbraw/zinc/80/19/15/944801915.db2.gz CEHBIYKQEGIPSA-MRXNPFEDSA-N 1 2 298.390 1.930 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)ccn1 ZINC001237469635 944801924 /nfs/dbraw/zinc/80/19/24/944801924.db2.gz CEHBIYKQEGIPSA-MRXNPFEDSA-N 1 2 298.390 1.930 20 30 CDEDLO C=CC[NH+]1CCN(Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237676459 944920397 /nfs/dbraw/zinc/92/03/97/944920397.db2.gz OIXVVFQPHJDTCV-UHFFFAOYSA-N 1 2 292.379 1.713 20 30 CDEDLO COc1cc(C[N@H+](C)CCC#N)c(O)c(OC)c1 ZINC001237675604 944921296 /nfs/dbraw/zinc/92/12/96/944921296.db2.gz YITSXLTTXIVOQS-UHFFFAOYSA-N 1 2 250.298 1.755 20 30 CDEDLO COc1cc(C[N@@H+](C)CCC#N)c(O)c(OC)c1 ZINC001237675604 944921304 /nfs/dbraw/zinc/92/13/04/944921304.db2.gz YITSXLTTXIVOQS-UHFFFAOYSA-N 1 2 250.298 1.755 20 30 CDEDLO CCCCCCCCCOC(=O)N1CC[NH2+][C@H](C(N)=O)C1 ZINC001239333824 945419283 /nfs/dbraw/zinc/41/92/83/945419283.db2.gz CDSGDXAAVQAZHD-ZDUSSCGKSA-N 1 2 299.415 1.633 20 30 CDEDLO COC(=O)c1cc(-c2ccc[nH+]c2N)ccc1C#N ZINC001243477112 947129581 /nfs/dbraw/zinc/12/95/81/947129581.db2.gz JHZCPDQDYPCJBV-UHFFFAOYSA-N 1 2 253.261 1.989 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](NC2(C#N)CCCCCC2)C[NH2+]1 ZINC001246187028 948017478 /nfs/dbraw/zinc/01/74/78/948017478.db2.gz FBRQFBUEBLXILF-RYUDHWBXSA-N 1 2 265.357 1.096 20 30 CDEDLO C=CC[C@@](C)([NH2+][C@H]1CC[C@H](C(=O)OCC)C1)C(=O)OC ZINC001257045204 948497449 /nfs/dbraw/zinc/49/74/49/948497449.db2.gz AUBGFIMDFQIEGI-SLEUVZQESA-N 1 2 283.368 1.816 20 30 CDEDLO CC(=O)OC[C@H]([NH3+])c1nc(-c2cccc(C#N)c2)no1 ZINC001247695291 948706401 /nfs/dbraw/zinc/70/64/01/948706401.db2.gz OGQYOQDULQKUEV-NSHDSACASA-N 1 2 272.264 1.171 20 30 CDEDLO C[N@@H+]1CCO[C@H](c2nc(-c3ccc(C#N)cn3)no2)C1 ZINC001248226628 948977314 /nfs/dbraw/zinc/97/73/14/948977314.db2.gz DZIPWZWMIYGFAY-NSHDSACASA-N 1 2 271.280 1.006 20 30 CDEDLO C[N@H+]1CCO[C@H](c2nc(-c3ccc(C#N)cn3)no2)C1 ZINC001248226628 948977324 /nfs/dbraw/zinc/97/73/24/948977324.db2.gz DZIPWZWMIYGFAY-NSHDSACASA-N 1 2 271.280 1.006 20 30 CDEDLO C[S@@](=O)CC[C@H]([NH3+])c1nc(-c2cccc(C#N)c2)no1 ZINC001249249577 949485155 /nfs/dbraw/zinc/48/51/55/949485155.db2.gz OSKIGMVYTSCUDK-PRWKNARSSA-N 1 2 290.348 1.377 20 30 CDEDLO CNC(=O)C[N@H+](C)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249426241 949595760 /nfs/dbraw/zinc/59/57/60/949595760.db2.gz JYLOOIOCIXISDY-UHFFFAOYSA-N 1 2 256.309 1.217 20 30 CDEDLO CNC(=O)C[N@@H+](C)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249426241 949595779 /nfs/dbraw/zinc/59/57/79/949595779.db2.gz JYLOOIOCIXISDY-UHFFFAOYSA-N 1 2 256.309 1.217 20 30 CDEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(C(=O)OCC)n(C)n2)C1 ZINC001250544910 950249258 /nfs/dbraw/zinc/24/92/58/950249258.db2.gz PVXQBUBPIUFNQV-LBPRGKRZSA-N 1 2 275.352 1.442 20 30 CDEDLO C#C[C@H]1CCC[N@H+](Cc2cc(C(=O)OCC)n(C)n2)C1 ZINC001250544910 950249271 /nfs/dbraw/zinc/24/92/71/950249271.db2.gz PVXQBUBPIUFNQV-LBPRGKRZSA-N 1 2 275.352 1.442 20 30 CDEDLO C=CCC[C@@H](O)C[NH2+][C@@H](C(=O)OCC)[C@@H](C)CC ZINC001252620840 951514180 /nfs/dbraw/zinc/51/41/80/951514180.db2.gz PCLSRXZBQCAZSK-YNEHKIRRSA-N 1 2 257.374 1.881 20 30 CDEDLO C=C[C@@H](O)CNc1[nH+]cnc2[nH]cc(Br)c21 ZINC001253571213 951957569 /nfs/dbraw/zinc/95/75/69/951957569.db2.gz BTPKJEAQZLLGPZ-ZCFIWIBFSA-N 1 2 283.129 1.631 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCc3cc[nH+]c(N)c3C2)cc1 ZINC001363506867 953393094 /nfs/dbraw/zinc/39/30/94/953393094.db2.gz GPQGVUZCOVSIPQ-UHFFFAOYSA-N 1 2 278.315 1.734 20 30 CDEDLO C=C[C@H](COC)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001326733189 954517021 /nfs/dbraw/zinc/51/70/21/954517021.db2.gz CPXFJDUTVDITGN-TZMCWYRMSA-N 1 2 291.351 1.445 20 30 CDEDLO C[C@@H]1CC[N@H+](C[C@H](O)c2cccc(C#N)c2)CC[S@]1=O ZINC001364391894 954546267 /nfs/dbraw/zinc/54/62/67/954546267.db2.gz XLEFSYGSUKUHSH-UFAGZECESA-N 1 2 292.404 1.435 20 30 CDEDLO C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc(C#N)c2)CC[S@]1=O ZINC001364391894 954546275 /nfs/dbraw/zinc/54/62/75/954546275.db2.gz XLEFSYGSUKUHSH-UFAGZECESA-N 1 2 292.404 1.435 20 30 CDEDLO C[C@@H]1C[C@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)c2nccn21 ZINC001327121032 954717594 /nfs/dbraw/zinc/71/75/94/954717594.db2.gz NHOMWECSUPXOBK-MFKMUULPSA-N 1 2 293.334 1.593 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@H](CC#N)C1 ZINC001329008285 955622307 /nfs/dbraw/zinc/62/23/07/955622307.db2.gz NXHCMTPEYXVYDY-GFCCVEGCSA-N 1 2 260.341 1.505 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CCc2cn[nH]c2)C1 ZINC001422750119 956308906 /nfs/dbraw/zinc/30/89/06/956308906.db2.gz UWXGVIYXMFIYRZ-LLVKDONJSA-N 1 2 296.802 1.531 20 30 CDEDLO C#C[C@@H]1CCCC[N@H+]1Cc1nc(-c2cc(OC)ncn2)no1 ZINC001308140145 956477030 /nfs/dbraw/zinc/47/70/30/956477030.db2.gz DPLADYDACKUSGB-LLVKDONJSA-N 1 2 299.334 1.523 20 30 CDEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cc(OC)ncn2)no1 ZINC001308140145 956477039 /nfs/dbraw/zinc/47/70/39/956477039.db2.gz DPLADYDACKUSGB-LLVKDONJSA-N 1 2 299.334 1.523 20 30 CDEDLO C=CC[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(=O)OCC ZINC001334339851 959037442 /nfs/dbraw/zinc/03/74/42/959037442.db2.gz JVASISFQGMAYQM-NWDGAFQWSA-N 1 2 291.351 1.070 20 30 CDEDLO C=CC[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)C(=O)OCC ZINC001320420260 959159451 /nfs/dbraw/zinc/15/94/51/959159451.db2.gz LYUKPDNWXPWJPI-WDEREUQCSA-N 1 2 265.313 1.068 20 30 CDEDLO CCN(CC[NH2+][C@@H](C)c1csnn1)C(=O)[C@H](C)C#N ZINC001420232903 962608501 /nfs/dbraw/zinc/60/85/01/962608501.db2.gz FMFKKRDSIOSFNY-ZJUUUORDSA-N 1 2 281.385 1.197 20 30 CDEDLO C#CC[C@@H](CC)c1nnc(N2CC[NH+](CC#C)CC2)n1CC ZINC001339970106 962659064 /nfs/dbraw/zinc/65/90/64/962659064.db2.gz PMFYRKROHKFEJT-OAHLLOKOSA-N 1 2 299.422 1.570 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cn1cc(Cl)cn1 ZINC001420310369 962719296 /nfs/dbraw/zinc/71/92/96/962719296.db2.gz UPQZSVGPLALRBG-UHFFFAOYSA-N 1 2 291.182 1.337 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cn1cc(Cl)cn1 ZINC001420310369 962719310 /nfs/dbraw/zinc/71/93/10/962719310.db2.gz UPQZSVGPLALRBG-UHFFFAOYSA-N 1 2 291.182 1.337 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCCC(=O)N(C)C ZINC001420334137 962755354 /nfs/dbraw/zinc/75/53/54/962755354.db2.gz RWWRMTBNFKNLQM-UHFFFAOYSA-N 1 2 289.807 1.045 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCCC(=O)N(C)C ZINC001420334137 962755369 /nfs/dbraw/zinc/75/53/69/962755369.db2.gz RWWRMTBNFKNLQM-UHFFFAOYSA-N 1 2 289.807 1.045 20 30 CDEDLO CC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1ncc(C)s1 ZINC001420366644 962799819 /nfs/dbraw/zinc/79/98/19/962799819.db2.gz DDVWLDQKXIAWPP-JTQLQIEISA-N 1 2 280.397 1.549 20 30 CDEDLO CC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1ncc(C)s1 ZINC001420366644 962799832 /nfs/dbraw/zinc/79/98/32/962799832.db2.gz DDVWLDQKXIAWPP-JTQLQIEISA-N 1 2 280.397 1.549 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ocnc1C ZINC001420552566 963049277 /nfs/dbraw/zinc/04/92/77/963049277.db2.gz NNJQWANBNVUAKW-VIFPVBQESA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ocnc1C ZINC001420552566 963049269 /nfs/dbraw/zinc/04/92/69/963049269.db2.gz NNJQWANBNVUAKW-VIFPVBQESA-N 1 2 271.748 1.786 20 30 CDEDLO C[C@H](C#N)C(=O)NCC[N@H+](Cc1ccns1)C1CC1 ZINC001437778134 963177730 /nfs/dbraw/zinc/17/77/30/963177730.db2.gz KQFWHFJTJHLIKS-SNVBAGLBSA-N 1 2 278.381 1.383 20 30 CDEDLO C[C@H](C#N)C(=O)NCC[N@@H+](Cc1ccns1)C1CC1 ZINC001437778134 963177737 /nfs/dbraw/zinc/17/77/37/963177737.db2.gz KQFWHFJTJHLIKS-SNVBAGLBSA-N 1 2 278.381 1.383 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)CC[NH2+][C@@H](C)c1nc(C2CC2)no1 ZINC001437826167 963198714 /nfs/dbraw/zinc/19/87/14/963198714.db2.gz AXWLDKHASWIAOX-ZJUUUORDSA-N 1 2 291.355 1.216 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](C)CSC)C1 ZINC001438114413 963328599 /nfs/dbraw/zinc/32/85/99/963328599.db2.gz UCYNHJWVLFGUMS-VIFPVBQESA-N 1 2 276.833 1.786 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CO[C@H](C)CC)C1 ZINC001421127659 963467850 /nfs/dbraw/zinc/46/78/50/963467850.db2.gz VYCPPVHOZZMVCS-LLVKDONJSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2(COC)CCC2)C1 ZINC001421143399 963474135 /nfs/dbraw/zinc/47/41/35/963474135.db2.gz GAJZQWYIPROWCM-UHFFFAOYSA-N 1 2 286.803 1.604 20 30 CDEDLO C=C(CC(C)C)C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001348920530 966229623 /nfs/dbraw/zinc/22/96/23/966229623.db2.gz UBYRHWYXWVENGD-CYBMUJFWSA-N 1 2 262.357 1.485 20 30 CDEDLO C=C[C@@H](COC)[NH2+]Cc1cn(Cc2ccccc2)nn1 ZINC001352017355 967062232 /nfs/dbraw/zinc/06/22/32/967062232.db2.gz USFNLNSHQPOIDG-AWEZNQCLSA-N 1 2 272.352 1.617 20 30 CDEDLO Cc1nc(N(C)CCNC(=O)C#CC(C)C)c(C)c(C)[nH+]1 ZINC001100055200 967324367 /nfs/dbraw/zinc/32/43/67/967324367.db2.gz UOGVPWQBRZKKTG-UHFFFAOYSA-N 1 2 288.395 1.614 20 30 CDEDLO C#Cc1ccc(C(=O)NCCN(C)c2cc[nH+]c(C)n2)cc1 ZINC001100270191 967836983 /nfs/dbraw/zinc/83/69/83/967836983.db2.gz JIEWPOQCKJPSHA-UHFFFAOYSA-N 1 2 294.358 1.633 20 30 CDEDLO Cc1c(C(=O)[C@H](C#N)c2ccncn2)ccc2c[nH+]cn21 ZINC001357624582 969632509 /nfs/dbraw/zinc/63/25/09/969632509.db2.gz PVKBFVLYUIQYOC-CYBMUJFWSA-N 1 2 277.287 1.923 20 30 CDEDLO Cc1nocc1C[N@H+](C)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001371940785 972703567 /nfs/dbraw/zinc/70/35/67/972703567.db2.gz JFCFYRGSCCUQNC-UHFFFAOYSA-N 1 2 287.323 1.045 20 30 CDEDLO Cc1nocc1C[N@@H+](C)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001371940785 972703577 /nfs/dbraw/zinc/70/35/77/972703577.db2.gz JFCFYRGSCCUQNC-UHFFFAOYSA-N 1 2 287.323 1.045 20 30 CDEDLO COCC(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001496643680 972998063 /nfs/dbraw/zinc/99/80/63/972998063.db2.gz JKVHWVNMJBOTCI-UHFFFAOYSA-N 1 2 275.352 1.095 20 30 CDEDLO COCC(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001496643680 972998073 /nfs/dbraw/zinc/99/80/73/972998073.db2.gz JKVHWVNMJBOTCI-UHFFFAOYSA-N 1 2 275.352 1.095 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)CC[N@H+](C)Cc1ccncc1Cl ZINC001496678927 973034253 /nfs/dbraw/zinc/03/42/53/973034253.db2.gz GCNMERLMZLUAOM-LLVKDONJSA-N 1 2 294.786 1.785 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)CC[N@@H+](C)Cc1ccncc1Cl ZINC001496678927 973034257 /nfs/dbraw/zinc/03/42/57/973034257.db2.gz GCNMERLMZLUAOM-LLVKDONJSA-N 1 2 294.786 1.785 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1nn(C)cc1C ZINC001498283188 973807921 /nfs/dbraw/zinc/80/79/21/973807921.db2.gz VSTULTVNSDWAJZ-LLVKDONJSA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1nn(C)cc1C ZINC001498283188 973807926 /nfs/dbraw/zinc/80/79/26/973807926.db2.gz VSTULTVNSDWAJZ-LLVKDONJSA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1c(C)nn(C)c1C ZINC001375076709 974252385 /nfs/dbraw/zinc/25/23/85/974252385.db2.gz IZLUQBUADPZCPS-SNVBAGLBSA-N 1 2 298.818 1.840 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1c(C)nn(C)c1C ZINC001375076709 974252391 /nfs/dbraw/zinc/25/23/91/974252391.db2.gz IZLUQBUADPZCPS-SNVBAGLBSA-N 1 2 298.818 1.840 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(C2CC2)n(C)n1 ZINC001377164709 974910272 /nfs/dbraw/zinc/91/02/72/974910272.db2.gz SDLDWFROJWVKQR-UHFFFAOYSA-N 1 2 296.802 1.712 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(C2CC2)n(C)n1 ZINC001377164709 974910277 /nfs/dbraw/zinc/91/02/77/974910277.db2.gz SDLDWFROJWVKQR-UHFFFAOYSA-N 1 2 296.802 1.712 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CCn1cc(C)cn1 ZINC001377366786 974991169 /nfs/dbraw/zinc/99/11/69/974991169.db2.gz LWSGBEJCDFBUHJ-UHFFFAOYSA-N 1 2 298.818 1.772 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CCn1cc(C)cn1 ZINC001377366786 974991172 /nfs/dbraw/zinc/99/11/72/974991172.db2.gz LWSGBEJCDFBUHJ-UHFFFAOYSA-N 1 2 298.818 1.772 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H]1CCOC1)C1CC1 ZINC001377522641 975063955 /nfs/dbraw/zinc/06/39/55/975063955.db2.gz XEJOXOBFOISEOG-NSHDSACASA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1CCOC1)C1CC1 ZINC001377522641 975063957 /nfs/dbraw/zinc/06/39/57/975063957.db2.gz XEJOXOBFOISEOG-NSHDSACASA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCCC(=O)NC ZINC001378020763 975209973 /nfs/dbraw/zinc/20/99/73/975209973.db2.gz JSEBLAGRZXSROM-NSHDSACASA-N 1 2 289.807 1.092 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCCC(=O)NC ZINC001378020763 975209979 /nfs/dbraw/zinc/20/99/79/975209979.db2.gz JSEBLAGRZXSROM-NSHDSACASA-N 1 2 289.807 1.092 20 30 CDEDLO CC(C)(F)C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001401862986 975957567 /nfs/dbraw/zinc/95/75/67/975957567.db2.gz CAVBVIHHFHFKTA-AWEZNQCLSA-N 1 2 289.354 1.997 20 30 CDEDLO CC(C)(F)C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001401862986 975957576 /nfs/dbraw/zinc/95/75/76/975957576.db2.gz CAVBVIHHFHFKTA-AWEZNQCLSA-N 1 2 289.354 1.997 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)COCC)[C@@H]1C ZINC001379633179 975973136 /nfs/dbraw/zinc/97/31/36/975973136.db2.gz YRKARHFKMXXCKQ-RYUDHWBXSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)COCC)[C@@H]1C ZINC001379633179 975973142 /nfs/dbraw/zinc/97/31/42/975973142.db2.gz YRKARHFKMXXCKQ-RYUDHWBXSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(C)nn1 ZINC001406610765 976300334 /nfs/dbraw/zinc/30/03/34/976300334.db2.gz OZISUHVMMZNGFH-NSHDSACASA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(C)nn1 ZINC001406610765 976300341 /nfs/dbraw/zinc/30/03/41/976300341.db2.gz OZISUHVMMZNGFH-NSHDSACASA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C[C@](C)(O)C1CC1 ZINC001399720038 976656999 /nfs/dbraw/zinc/65/69/99/976656999.db2.gz ZNPKYHIHTDISLD-AWEZNQCLSA-N 1 2 288.819 1.728 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C[C@](C)(O)C1CC1 ZINC001399720038 976657007 /nfs/dbraw/zinc/65/70/07/976657007.db2.gz ZNPKYHIHTDISLD-AWEZNQCLSA-N 1 2 288.819 1.728 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+]Cc1nn(C)cc1Cl ZINC001132304512 1163236174 /nfs/dbraw/zinc/23/61/74/1163236174.db2.gz RTCOHCRZHYODHI-UHFFFAOYSA-N 1 2 298.818 1.882 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001132565830 1163374669 /nfs/dbraw/zinc/37/46/69/1163374669.db2.gz ZZXKSRCWAQTXQZ-VHSXEESVSA-N 1 2 266.345 1.042 20 30 CDEDLO CC#CCCCC(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001132591886 1163393121 /nfs/dbraw/zinc/39/31/21/1163393121.db2.gz ZCLMNVBHGYSLEX-UHFFFAOYSA-N 1 2 289.379 1.951 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001132659747 1163427326 /nfs/dbraw/zinc/42/73/26/1163427326.db2.gz CLFOMPQOUCCEKQ-GHMZBOCLSA-N 1 2 282.413 1.907 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001133380481 1163663630 /nfs/dbraw/zinc/66/36/30/1163663630.db2.gz HEULIJFDNKBOHN-HZMBPMFUSA-N 1 2 280.372 1.747 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cccc3c2OCCO3)CC1 ZINC000089946357 1174118896 /nfs/dbraw/zinc/11/88/96/1174118896.db2.gz BXRVIQCDKGQYCC-UHFFFAOYSA-N 1 2 272.348 1.209 20 30 CDEDLO C#CCN1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000089946357 1174118898 /nfs/dbraw/zinc/11/88/98/1174118898.db2.gz BXRVIQCDKGQYCC-UHFFFAOYSA-N 1 2 272.348 1.209 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@H](CC[NH2+]Cc2c[nH]nn2)C1 ZINC001575048421 1171095101 /nfs/dbraw/zinc/09/51/01/1171095101.db2.gz CGJNSMOCIANVSX-ZDUSSCGKSA-N 1 2 291.399 1.489 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@H](CC[NH2+]Cc2cn[nH]n2)C1 ZINC001575048421 1171095108 /nfs/dbraw/zinc/09/51/08/1171095108.db2.gz CGJNSMOCIANVSX-ZDUSSCGKSA-N 1 2 291.399 1.489 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000585817433 342456710 /nfs/dbraw/zinc/45/67/10/342456710.db2.gz ZZJOZDNONTYMMB-HIFRSBDPSA-N 1 2 279.384 1.249 20 30 CDEDLO N#Cc1ccncc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000589835980 342515141 /nfs/dbraw/zinc/51/51/41/342515141.db2.gz YQDVATXQHMPICJ-CYBMUJFWSA-N 1 2 281.319 1.627 20 30 CDEDLO Cc1ccnc(NC(=O)C[N@H+](C)CCOCCC#N)c1 ZINC000590158454 342523246 /nfs/dbraw/zinc/52/32/46/342523246.db2.gz GCQPNCPHORWUSD-UHFFFAOYSA-N 1 2 276.340 1.191 20 30 CDEDLO Cc1ccnc(NC(=O)C[N@@H+](C)CCOCCC#N)c1 ZINC000590158454 342523247 /nfs/dbraw/zinc/52/32/47/342523247.db2.gz GCQPNCPHORWUSD-UHFFFAOYSA-N 1 2 276.340 1.191 20 30 CDEDLO N#Cc1ccc(OC[C@H](O)CN2CCn3c[nH+]cc3C2)cc1 ZINC000590599152 342579766 /nfs/dbraw/zinc/57/97/66/342579766.db2.gz JJXOCUAFJNYETC-OAHLLOKOSA-N 1 2 298.346 1.010 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000364841043 342597927 /nfs/dbraw/zinc/59/79/27/342597927.db2.gz FDOAKGDRTWXQKM-ZBFHGGJFSA-N 1 2 296.411 1.148 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000590973354 342612561 /nfs/dbraw/zinc/61/25/61/342612561.db2.gz WSNLIVZUYBXMON-WDEREUQCSA-N 1 2 271.357 1.624 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000590973354 342612562 /nfs/dbraw/zinc/61/25/62/342612562.db2.gz WSNLIVZUYBXMON-WDEREUQCSA-N 1 2 271.357 1.624 20 30 CDEDLO N#Cc1cnc(N2CC[NH+]([C@@H]3CCOC3)CC2)c(F)c1 ZINC000591150735 342618862 /nfs/dbraw/zinc/61/88/62/342618862.db2.gz YZXVJTYTMDVBAV-GFCCVEGCSA-N 1 2 276.315 1.003 20 30 CDEDLO CN(Cc1cccs1)C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592144638 342672813 /nfs/dbraw/zinc/67/28/13/342672813.db2.gz FXTAZLROMYIQHQ-AWEZNQCLSA-N 1 2 293.392 1.057 20 30 CDEDLO CN(Cc1cccs1)C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592144638 342672814 /nfs/dbraw/zinc/67/28/14/342672814.db2.gz FXTAZLROMYIQHQ-AWEZNQCLSA-N 1 2 293.392 1.057 20 30 CDEDLO C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147143 342673710 /nfs/dbraw/zinc/67/37/10/342673710.db2.gz MCCICXUIZHENAD-NHYWBVRUSA-N 1 2 299.334 1.543 20 30 CDEDLO C[C@@H](c1nc(-c2cccnc2)no1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147143 342673712 /nfs/dbraw/zinc/67/37/12/342673712.db2.gz MCCICXUIZHENAD-NHYWBVRUSA-N 1 2 299.334 1.543 20 30 CDEDLO C[C@H](C(=O)N(C)c1ccccc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147120 342673819 /nfs/dbraw/zinc/67/38/19/342673819.db2.gz IOPMFKZCMNXJED-CJNGLKHVSA-N 1 2 287.363 1.388 20 30 CDEDLO C[C@H](C(=O)N(C)c1ccccc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147120 342673821 /nfs/dbraw/zinc/67/38/21/342673821.db2.gz IOPMFKZCMNXJED-CJNGLKHVSA-N 1 2 287.363 1.388 20 30 CDEDLO CCOC(=O)c1cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)[nH]c1C ZINC000592523168 342702825 /nfs/dbraw/zinc/70/28/25/342702825.db2.gz WNXXTODFHNQTSY-HNNXBMFYSA-N 1 2 291.351 1.350 20 30 CDEDLO CCOC(=O)c1cc(C[N@H+]2CC[C@@](O)(CC#N)C2)[nH]c1C ZINC000592523168 342702827 /nfs/dbraw/zinc/70/28/27/342702827.db2.gz WNXXTODFHNQTSY-HNNXBMFYSA-N 1 2 291.351 1.350 20 30 CDEDLO CC[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)[C@H](CC)CO1 ZINC000593660756 342819745 /nfs/dbraw/zinc/81/97/45/342819745.db2.gz FDUYRRABGPRVOS-HUUCEWRRSA-N 1 2 299.378 1.990 20 30 CDEDLO CC[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)[C@H](CC)CO1 ZINC000593660756 342819746 /nfs/dbraw/zinc/81/97/46/342819746.db2.gz FDUYRRABGPRVOS-HUUCEWRRSA-N 1 2 299.378 1.990 20 30 CDEDLO CC[C@H](C#N)N(C)C(=O)C1CC[NH+](CC(F)F)CC1 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C=CC[N@H+](CC(=O)NCC#N)Cc1ccccc1F ZINC000076669187 342322950 /nfs/dbraw/zinc/32/29/50/342322950.db2.gz IYLCBBJXAJGDDL-UHFFFAOYSA-N 1 2 261.300 1.453 20 30 CDEDLO C=CC[N@@H+](CC(=O)NCC#N)Cc1ccccc1F ZINC000076669187 342322951 /nfs/dbraw/zinc/32/29/51/342322951.db2.gz IYLCBBJXAJGDDL-UHFFFAOYSA-N 1 2 261.300 1.453 20 30 CDEDLO C[C@@H]1CCSCCN1C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330055745 362133316 /nfs/dbraw/zinc/13/33/16/362133316.db2.gz UUWJIFQVNOWDFS-NEPJUHHUSA-N 1 2 294.424 1.939 20 30 CDEDLO Cc1ccc(C#N)nc1NCC[N@H+]1CCOC[C@@H]1C ZINC000596113309 343230897 /nfs/dbraw/zinc/23/08/97/343230897.db2.gz UBUBDULOGHAKBQ-LBPRGKRZSA-N 1 2 260.341 1.394 20 30 CDEDLO Cc1ccc(C#N)nc1NCC[N@@H+]1CCOC[C@@H]1C ZINC000596113309 343230899 /nfs/dbraw/zinc/23/08/99/343230899.db2.gz UBUBDULOGHAKBQ-LBPRGKRZSA-N 1 2 260.341 1.394 20 30 CDEDLO N#Cc1cnnc(N2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000596064025 343223698 /nfs/dbraw/zinc/22/36/98/343223698.db2.gz ALDIBKDCKLJZIL-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO N#Cc1nc(N2CCc3[nH+]c[nH]c3C2)sc1Cl ZINC000596236857 343282522 /nfs/dbraw/zinc/28/25/22/343282522.db2.gz MZWCTWXJEFCNQS-UHFFFAOYSA-N 1 2 265.729 1.954 20 30 CDEDLO Cc1c[nH+]c(CCNc2cc(C#N)cnn2)c(C)c1 ZINC000596300130 343292075 /nfs/dbraw/zinc/29/20/75/343292075.db2.gz UJQRJMLCJBXGQT-UHFFFAOYSA-N 1 2 253.309 1.437 20 30 CDEDLO N#Cc1cc(C(=O)Nc2ccn3cc[nH+]c3c2)c[nH]1 ZINC000619578096 349810000 /nfs/dbraw/zinc/81/00/00/349810000.db2.gz FVKPXYGRYQHWME-UHFFFAOYSA-N 1 2 251.249 1.786 20 30 CDEDLO C=CCCSCCNC(=O)CCc1c[nH+]cn1C ZINC000597966942 343672437 /nfs/dbraw/zinc/67/24/37/343672437.db2.gz GOZPHXCPXOYSCF-UHFFFAOYSA-N 1 2 267.398 1.778 20 30 CDEDLO C[C@H](C#N)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597942453 343674160 /nfs/dbraw/zinc/67/41/60/343674160.db2.gz YULZEVLPVXRYFH-LLVKDONJSA-N 1 2 258.325 1.458 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(C#N)cs2)[C@@H](C)CO1 ZINC000597994110 343683757 /nfs/dbraw/zinc/68/37/57/343683757.db2.gz APLATXOIHNWIPY-WDEREUQCSA-N 1 2 293.392 1.459 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(C#N)cs2)[C@@H](C)CO1 ZINC000597994110 343683758 /nfs/dbraw/zinc/68/37/58/343683758.db2.gz APLATXOIHNWIPY-WDEREUQCSA-N 1 2 293.392 1.459 20 30 CDEDLO C=CCCSCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597972274 343687894 /nfs/dbraw/zinc/68/78/94/343687894.db2.gz OQSUYHCULKGLLM-VXGBXAGGSA-N 1 2 279.409 1.949 20 30 CDEDLO C[C@@]1(C#N)CCCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000612002666 346962288 /nfs/dbraw/zinc/96/22/88/346962288.db2.gz LFUYXLPWIAGTBW-ZDUSSCGKSA-N 1 2 261.329 1.218 20 30 CDEDLO C=C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C(=O)OC ZINC000619702949 349859168 /nfs/dbraw/zinc/85/91/68/349859168.db2.gz CCXPGLUVANGIKT-KXNHARMFSA-N 1 2 251.326 1.261 20 30 CDEDLO N#CC1(C[N@@H+](Cc2ccccc2)[C@]2(CO)CCOC2)CC1 ZINC000599395771 344041357 /nfs/dbraw/zinc/04/13/57/344041357.db2.gz KEKHKBOWEPAHDB-KRWDZBQOSA-N 1 2 286.375 1.944 20 30 CDEDLO N#CC1(C[N@H+](Cc2ccccc2)[C@]2(CO)CCOC2)CC1 ZINC000599395771 344041360 /nfs/dbraw/zinc/04/13/60/344041360.db2.gz KEKHKBOWEPAHDB-KRWDZBQOSA-N 1 2 286.375 1.944 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000598622706 343846410 /nfs/dbraw/zinc/84/64/10/343846410.db2.gz NLDFERXXHIIRMU-ZDUSSCGKSA-N 1 2 287.363 1.741 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000598622706 343846412 /nfs/dbraw/zinc/84/64/12/343846412.db2.gz NLDFERXXHIIRMU-ZDUSSCGKSA-N 1 2 287.363 1.741 20 30 CDEDLO C=C(Cl)CN1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000127053350 187279564 /nfs/dbraw/zinc/27/95/64/187279564.db2.gz FLCQEIGJBLLSJN-SNVBAGLBSA-N 1 2 259.806 1.848 20 30 CDEDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C#N ZINC000599160860 343971189 /nfs/dbraw/zinc/97/11/89/343971189.db2.gz QXSFYOHSXQVREN-LBPRGKRZSA-N 1 2 276.296 1.209 20 30 CDEDLO C[N@H+]1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C#N ZINC000599160860 343971192 /nfs/dbraw/zinc/97/11/92/343971192.db2.gz QXSFYOHSXQVREN-LBPRGKRZSA-N 1 2 276.296 1.209 20 30 CDEDLO Cc1cc(N[C@@H]2CCO[C@@H](c3cnn(C)c3)C2)c(C#N)c[nH+]1 ZINC000599106339 343955092 /nfs/dbraw/zinc/95/50/92/343955092.db2.gz FRLANIISAACXSJ-GDBMZVCRSA-N 1 2 297.362 1.749 20 30 CDEDLO COc1cc[nH+]c(CN2CCN(CCC#N)CC2)c1 ZINC000612110128 347024073 /nfs/dbraw/zinc/02/40/73/347024073.db2.gz IHRRWTQIYVJMEF-UHFFFAOYSA-N 1 2 260.341 1.121 20 30 CDEDLO C=CCCSCCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000601620075 344204880 /nfs/dbraw/zinc/20/48/80/344204880.db2.gz HVUPZCXSDVXKDO-UHFFFAOYSA-N 1 2 268.386 1.860 20 30 CDEDLO COCCN(CC#N)C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000601624092 344205454 /nfs/dbraw/zinc/20/54/54/344205454.db2.gz KCADSFANFBIYEL-UHFFFAOYSA-N 1 2 284.319 1.689 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000602199220 344373333 /nfs/dbraw/zinc/37/33/33/344373333.db2.gz OANOPMSGROGESX-OAHLLOKOSA-N 1 2 286.379 1.318 20 30 CDEDLO CC(C)[N@H+](CCC#N)Cc1ccc(S(N)(=O)=O)cc1 ZINC000602446949 344433401 /nfs/dbraw/zinc/43/34/01/344433401.db2.gz HIGCQHJFRVFBJY-UHFFFAOYSA-N 1 2 281.381 1.458 20 30 CDEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(S(N)(=O)=O)cc1 ZINC000602446949 344433403 /nfs/dbraw/zinc/43/34/03/344433403.db2.gz HIGCQHJFRVFBJY-UHFFFAOYSA-N 1 2 281.381 1.458 20 30 CDEDLO Cc1ccc(NC(=O)C(=O)NCCCCC#N)c(C)[nH+]1 ZINC000447126015 362405420 /nfs/dbraw/zinc/40/54/20/362405420.db2.gz UKERMZFLRJKLES-UHFFFAOYSA-N 1 2 274.324 1.447 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCc1cc(F)cc(F)c1 ZINC000602860224 344616012 /nfs/dbraw/zinc/61/60/12/344616012.db2.gz CDBOHXCPYBYFGI-SECBINFHSA-N 1 2 267.279 1.473 20 30 CDEDLO Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@H](C)CC#N)cc1 ZINC000602861687 344617486 /nfs/dbraw/zinc/61/74/86/344617486.db2.gz HKPXVDLVVZKXPR-OLZOCXBDSA-N 1 2 259.353 1.892 20 30 CDEDLO CC[N@H+](CC1(CC#N)CC1)[C@@H](C)CS(=O)(=O)CC ZINC000602788874 344601362 /nfs/dbraw/zinc/60/13/62/344601362.db2.gz WSSUPFVLJNSPTK-LBPRGKRZSA-N 1 2 272.414 1.825 20 30 CDEDLO CC[N@@H+](CC1(CC#N)CC1)[C@@H](C)CS(=O)(=O)CC ZINC000602788874 344601363 /nfs/dbraw/zinc/60/13/63/344601363.db2.gz WSSUPFVLJNSPTK-LBPRGKRZSA-N 1 2 272.414 1.825 20 30 CDEDLO 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CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](OC)C1 ZINC000267822131 362571916 /nfs/dbraw/zinc/57/19/16/362571916.db2.gz PCENWXNFUAOPBO-KBPBESRZSA-N 1 2 274.320 1.493 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](OC)C1 ZINC000267822131 362571922 /nfs/dbraw/zinc/57/19/22/362571922.db2.gz PCENWXNFUAOPBO-KBPBESRZSA-N 1 2 274.320 1.493 20 30 CDEDLO N#CCC[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000573677092 334956844 /nfs/dbraw/zinc/95/68/44/334956844.db2.gz SEOYCGUSQJUDTJ-GFCCVEGCSA-N 1 2 263.728 1.949 20 30 CDEDLO CCc1nc(C#N)cc(Nc2c[nH+]cc(N(C)C)c2)n1 ZINC000601214025 349927432 /nfs/dbraw/zinc/92/74/32/349927432.db2.gz PZPUTMSUSKCORD-UHFFFAOYSA-N 1 2 268.324 1.537 20 30 CDEDLO C#CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000073382294 345446211 /nfs/dbraw/zinc/44/62/11/345446211.db2.gz IXEBLXZEMQOZQV-CYBMUJFWSA-N 1 2 268.320 1.442 20 30 CDEDLO Cc1cc(CN2CC[NH+](Cc3ccc(C#N)o3)CC2)no1 ZINC000120589073 362594790 /nfs/dbraw/zinc/59/47/90/362594790.db2.gz JRMAVEIWSINQGK-UHFFFAOYSA-N 1 2 286.335 1.766 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617722869 345935004 /nfs/dbraw/zinc/93/50/04/345935004.db2.gz GHSBSDMGYZPNHB-QWHCGFSZSA-N 1 2 268.401 1.814 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617722869 345935006 /nfs/dbraw/zinc/93/50/06/345935006.db2.gz GHSBSDMGYZPNHB-QWHCGFSZSA-N 1 2 268.401 1.814 20 30 CDEDLO C[C@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)NCC#N ZINC000610003888 346057111 /nfs/dbraw/zinc/05/71/11/346057111.db2.gz MVRWSMIDDDWOKC-JTQLQIEISA-N 1 2 261.300 1.385 20 30 CDEDLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)NCC#N ZINC000610003888 346057113 /nfs/dbraw/zinc/05/71/13/346057113.db2.gz MVRWSMIDDDWOKC-JTQLQIEISA-N 1 2 261.300 1.385 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000152303799 346153590 /nfs/dbraw/zinc/15/35/90/346153590.db2.gz SFMVNIKTPHOPAX-HOTGVXAUSA-N 1 2 272.348 1.938 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000152303799 346153592 /nfs/dbraw/zinc/15/35/92/346153592.db2.gz SFMVNIKTPHOPAX-HOTGVXAUSA-N 1 2 272.348 1.938 20 30 CDEDLO CC[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccoc1 ZINC000102407061 346231254 /nfs/dbraw/zinc/23/12/54/346231254.db2.gz CAJVXDLQVFNOON-UHFFFAOYSA-N 1 2 288.351 1.757 20 30 CDEDLO CC[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccoc1 ZINC000102407061 346231258 /nfs/dbraw/zinc/23/12/58/346231258.db2.gz CAJVXDLQVFNOON-UHFFFAOYSA-N 1 2 288.351 1.757 20 30 CDEDLO COCC[N@H+](CCC#N)C[C@H]1COc2ccccc2O1 ZINC000610511759 346300507 /nfs/dbraw/zinc/30/05/07/346300507.db2.gz VJULAAGVYGJSMX-ZDUSSCGKSA-N 1 2 276.336 1.688 20 30 CDEDLO COCC[N@@H+](CCC#N)C[C@H]1COc2ccccc2O1 ZINC000610511759 346300509 /nfs/dbraw/zinc/30/05/09/346300509.db2.gz VJULAAGVYGJSMX-ZDUSSCGKSA-N 1 2 276.336 1.688 20 30 CDEDLO CCn1cc[nH+]c1CN1CCN(c2ccc(C#N)nc2)CC1 ZINC000610541722 346307727 /nfs/dbraw/zinc/30/77/27/346307727.db2.gz YNCUQUXBUQHXPI-UHFFFAOYSA-N 1 2 296.378 1.492 20 30 CDEDLO CC(C)C[C@H](C#N)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000611012006 346576528 /nfs/dbraw/zinc/57/65/28/346576528.db2.gz DHOLQAOZORPDQZ-NWDGAFQWSA-N 1 2 260.341 1.500 20 30 CDEDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611173639 346627283 /nfs/dbraw/zinc/62/72/83/346627283.db2.gz DXHWVTNRYBGOIP-GASCZTMLSA-N 1 2 292.427 1.307 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCN(CCC#N)CC1 ZINC000611174764 346627910 /nfs/dbraw/zinc/62/79/10/346627910.db2.gz PYHDRPMRQVHAKR-AWEZNQCLSA-N 1 2 286.379 1.545 20 30 CDEDLO C#CC[N@@H+](Cc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000066537368 347490328 /nfs/dbraw/zinc/49/03/28/347490328.db2.gz MCGMDLIIJAGRPG-INIZCTEOSA-N 1 2 291.416 1.926 20 30 CDEDLO C#CC[N@H+](Cc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000066537368 347490331 /nfs/dbraw/zinc/49/03/31/347490331.db2.gz MCGMDLIIJAGRPG-INIZCTEOSA-N 1 2 291.416 1.926 20 30 CDEDLO C#CCN(CC#N)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000491339594 347581463 /nfs/dbraw/zinc/58/14/63/347581463.db2.gz RCUGKASVPWXCNB-HNNXBMFYSA-N 1 2 296.374 1.473 20 30 CDEDLO C=C[C@H]([NH2+]CCCNC(=O)c1cccs1)C(=O)OC ZINC000619700770 347854840 /nfs/dbraw/zinc/85/48/40/347854840.db2.gz LJJYOECGOKGJNJ-JTQLQIEISA-N 1 2 282.365 1.185 20 30 CDEDLO N#Cc1ccc(NCC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000614662905 348188564 /nfs/dbraw/zinc/18/85/64/348188564.db2.gz XWSCEIGPAPDGFG-AWEZNQCLSA-N 1 2 295.346 1.298 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)Cn1ccc2sccc2c1=O ZINC000414133796 362923244 /nfs/dbraw/zinc/92/32/44/362923244.db2.gz BHBPIAPRZVGTFM-NSHDSACASA-N 1 2 291.376 1.269 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)Cn1ccc2sccc2c1=O ZINC000414133796 362923250 /nfs/dbraw/zinc/92/32/50/362923250.db2.gz BHBPIAPRZVGTFM-NSHDSACASA-N 1 2 291.376 1.269 20 30 CDEDLO N#CCCN(CCC#N)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000263846314 362946371 /nfs/dbraw/zinc/94/63/71/362946371.db2.gz XGUKMVRCHMABFO-UHFFFAOYSA-N 1 2 281.319 1.533 20 30 CDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000073771550 350034439 /nfs/dbraw/zinc/03/44/39/350034439.db2.gz DRHUPOXATFLYNM-CYBMUJFWSA-N 1 2 298.390 1.347 20 30 CDEDLO COc1ccccc1[C@@H](CO)[NH2+]Cc1cccc(C#N)n1 ZINC000602548934 350122599 /nfs/dbraw/zinc/12/25/99/350122599.db2.gz AHENVWCRRQBKTM-OAHLLOKOSA-N 1 2 283.331 1.785 20 30 CDEDLO CC(C)(C)OC(=O)C1C[NH+](Cc2cccc(C#N)n2)C1 ZINC000602690539 350141673 /nfs/dbraw/zinc/14/16/73/350141673.db2.gz NQLSCYNYZLVFQJ-UHFFFAOYSA-N 1 2 273.336 1.727 20 30 CDEDLO Cc1cc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)ncc1C#N ZINC000603115521 350197725 /nfs/dbraw/zinc/19/77/25/350197725.db2.gz ZUZQOALGGITWRC-LBPRGKRZSA-N 1 2 296.334 1.017 20 30 CDEDLO CC[C@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)C[C@H](C)O1 ZINC000111276073 186386320 /nfs/dbraw/zinc/38/63/20/186386320.db2.gz DEIWILLXALMAED-WFASDCNBSA-N 1 2 287.363 1.996 20 30 CDEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)C[C@H](C)O1 ZINC000111276073 186386323 /nfs/dbraw/zinc/38/63/23/186386323.db2.gz DEIWILLXALMAED-WFASDCNBSA-N 1 2 287.363 1.996 20 30 CDEDLO C=CCN(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000155599401 188215926 /nfs/dbraw/zinc/21/59/26/188215926.db2.gz IPAYCFVDMLOIHT-GFCCVEGCSA-N 1 2 260.341 1.488 20 30 CDEDLO CC1(C)C[N@H+](CC(=O)Nc2sccc2C#N)C[C@H]1O ZINC000279943333 363359328 /nfs/dbraw/zinc/35/93/28/363359328.db2.gz XIWCBPMRLZRDMR-SNVBAGLBSA-N 1 2 279.365 1.261 20 30 CDEDLO CC1(C)C[N@@H+](CC(=O)Nc2sccc2C#N)C[C@H]1O ZINC000279943333 363359332 /nfs/dbraw/zinc/35/93/32/363359332.db2.gz XIWCBPMRLZRDMR-SNVBAGLBSA-N 1 2 279.365 1.261 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2cc(C#N)cs2)CC[S@@]1=O ZINC000336607224 356218699 /nfs/dbraw/zinc/21/86/99/356218699.db2.gz GWTQZYNPAHRGFY-BTDLBPIBSA-N 1 2 268.407 1.963 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2cc(C#N)cs2)CC[S@@]1=O ZINC000336607224 356218702 /nfs/dbraw/zinc/21/87/02/356218702.db2.gz GWTQZYNPAHRGFY-BTDLBPIBSA-N 1 2 268.407 1.963 20 30 CDEDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc(C#N)s1 ZINC000336555421 356207532 /nfs/dbraw/zinc/20/75/32/356207532.db2.gz UWXDIYHJDGVFJF-UWVGGRQHSA-N 1 2 263.366 1.784 20 30 CDEDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc(C#N)s1 ZINC000336555421 356207535 /nfs/dbraw/zinc/20/75/35/356207535.db2.gz UWXDIYHJDGVFJF-UWVGGRQHSA-N 1 2 263.366 1.784 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@](F)(CO)C2)cc1F ZINC000336586941 356209857 /nfs/dbraw/zinc/20/98/57/356209857.db2.gz JZAUEFMMIUNJBL-CQSZACIVSA-N 1 2 266.291 1.994 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@](F)(CO)C2)cc1F ZINC000336586941 356209862 /nfs/dbraw/zinc/20/98/62/356209862.db2.gz JZAUEFMMIUNJBL-CQSZACIVSA-N 1 2 266.291 1.994 20 30 CDEDLO Cc1cc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)n(CCC#N)n1 ZINC000533548372 356507701 /nfs/dbraw/zinc/50/77/01/356507701.db2.gz MVDMYOBTLMTZNF-LBPRGKRZSA-N 1 2 298.350 1.503 20 30 CDEDLO C[N@@H+]1CCc2ncnc(N[C@@H]3CCC[C@@H]3C#N)c2C1 ZINC000330054819 283182168 /nfs/dbraw/zinc/18/21/68/283182168.db2.gz SQBFHWRGCCNAHH-ZYHUDNBSSA-N 1 2 257.341 1.569 20 30 CDEDLO C[N@H+]1CCc2ncnc(N[C@@H]3CCC[C@@H]3C#N)c2C1 ZINC000330054819 283182170 /nfs/dbraw/zinc/18/21/70/283182170.db2.gz SQBFHWRGCCNAHH-ZYHUDNBSSA-N 1 2 257.341 1.569 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NCCc1ccccc1C ZINC000299343107 357034788 /nfs/dbraw/zinc/03/47/88/357034788.db2.gz QLFFNPOXSILWCA-INIZCTEOSA-N 1 2 282.387 1.611 20 30 CDEDLO N#Cc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c[nH]1 ZINC000181145879 357316677 /nfs/dbraw/zinc/31/66/77/357316677.db2.gz CJYILOBPVDCIEG-UHFFFAOYSA-N 1 2 281.319 1.244 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@]12CCOC2=O ZINC000186737295 357681716 /nfs/dbraw/zinc/68/17/16/357681716.db2.gz XGJLQHIRVDJGOS-HNNXBMFYSA-N 1 2 256.305 1.840 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@]12CCOC2=O ZINC000186737295 357681721 /nfs/dbraw/zinc/68/17/21/357681721.db2.gz XGJLQHIRVDJGOS-HNNXBMFYSA-N 1 2 256.305 1.840 20 30 CDEDLO N#C[C@@H]1COCCN1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000081166269 358116921 /nfs/dbraw/zinc/11/69/21/358116921.db2.gz CBAJNPSKKUBAEU-OAHLLOKOSA-N 1 2 268.320 1.597 20 30 CDEDLO CC(C)c1nnc(/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C)o1 ZINC000493489126 366407176 /nfs/dbraw/zinc/40/71/76/366407176.db2.gz UZISSTAZFFPXGT-LMVHVUTASA-N 1 2 291.355 1.166 20 30 CDEDLO COc1ccccc1/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000493497359 366414320 /nfs/dbraw/zinc/41/43/20/366414320.db2.gz QQISYCIIKQLICA-SCOAYWHSSA-N 1 2 287.363 1.668 20 30 CDEDLO C#CCO[C@H](C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000294860058 199218125 /nfs/dbraw/zinc/21/81/25/199218125.db2.gz OEGGVAXLLWLAEE-CYBMUJFWSA-N 1 2 283.331 1.527 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000091704701 358523833 /nfs/dbraw/zinc/52/38/33/358523833.db2.gz XZLKNMSIZSFWTQ-ZDUSSCGKSA-N 1 2 274.368 1.837 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000091704701 358523834 /nfs/dbraw/zinc/52/38/34/358523834.db2.gz XZLKNMSIZSFWTQ-ZDUSSCGKSA-N 1 2 274.368 1.837 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1nc2ccccc2o1 ZINC000493800612 366494306 /nfs/dbraw/zinc/49/43/06/366494306.db2.gz BLIKPLZNZCEKMM-ROJDOSBLSA-N 1 2 298.346 1.801 20 30 CDEDLO C=CCOCCCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000079289006 359179961 /nfs/dbraw/zinc/17/99/61/359179961.db2.gz XHEQMRVZEYXTHG-UHFFFAOYSA-N 1 2 284.400 1.196 20 30 CDEDLO COc1cc(C)[nH+]c(Cn2nc(C)c(C)c(C#N)c2=O)c1 ZINC000270116767 359292627 /nfs/dbraw/zinc/29/26/27/359292627.db2.gz JCLAYNCKKMGXDO-UHFFFAOYSA-N 1 2 284.319 1.492 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccn(C(C)C)n2)CC1 ZINC000265059891 359321206 /nfs/dbraw/zinc/32/12/06/359321206.db2.gz SSUWFLDYSTZZDW-UHFFFAOYSA-N 1 2 274.368 1.245 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1cccc(C(=O)NCC)c1 ZINC000266912788 359347844 /nfs/dbraw/zinc/34/78/44/359347844.db2.gz JQCKTCOREITZCG-UHFFFAOYSA-N 1 2 287.363 1.330 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1cccc(C(=O)NCC)c1 ZINC000266912788 359347847 /nfs/dbraw/zinc/34/78/47/359347847.db2.gz JQCKTCOREITZCG-UHFFFAOYSA-N 1 2 287.363 1.330 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1cc(OC)ccc1OC ZINC000266954822 359348072 /nfs/dbraw/zinc/34/80/72/359348072.db2.gz VKWLLZADRYNBNX-UHFFFAOYSA-N 1 2 276.336 1.597 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1cc(OC)ccc1OC ZINC000266954822 359348073 /nfs/dbraw/zinc/34/80/73/359348073.db2.gz VKWLLZADRYNBNX-UHFFFAOYSA-N 1 2 276.336 1.597 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)C1CC1 ZINC000274124721 359492236 /nfs/dbraw/zinc/49/22/36/359492236.db2.gz HJQIADFTCLIXRS-UHFFFAOYSA-N 1 2 285.347 1.681 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)C1CC1 ZINC000274124721 359492240 /nfs/dbraw/zinc/49/22/40/359492240.db2.gz HJQIADFTCLIXRS-UHFFFAOYSA-N 1 2 285.347 1.681 20 30 CDEDLO CC#CCCNC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645448536 359739418 /nfs/dbraw/zinc/73/94/18/359739418.db2.gz FJRCAFUBBRLWSY-UHFFFAOYSA-N 1 2 284.363 1.898 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Nc1nccc(C#N)c1Cl ZINC000235129091 359778000 /nfs/dbraw/zinc/77/80/00/359778000.db2.gz JKCNBBWTEHNGQN-JTQLQIEISA-N 1 2 280.759 1.739 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](CC(=O)OCC)C(C)C)C1=O ZINC000337122517 359995542 /nfs/dbraw/zinc/99/55/42/359995542.db2.gz BJDSBAIIHDVIKB-GFCCVEGCSA-N 1 2 268.357 1.047 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](CC(=O)OCC)C(C)C)C1=O ZINC000337122517 359995546 /nfs/dbraw/zinc/99/55/46/359995546.db2.gz BJDSBAIIHDVIKB-GFCCVEGCSA-N 1 2 268.357 1.047 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000245711099 360739881 /nfs/dbraw/zinc/73/98/81/360739881.db2.gz PCADODHXQCXXJZ-GHMZBOCLSA-N 1 2 293.333 1.246 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000245711099 360739884 /nfs/dbraw/zinc/73/98/84/360739884.db2.gz PCADODHXQCXXJZ-GHMZBOCLSA-N 1 2 293.333 1.246 20 30 CDEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000349751618 360935246 /nfs/dbraw/zinc/93/52/46/360935246.db2.gz WBJBOVHZJNSXQD-AWEZNQCLSA-N 1 2 293.330 1.323 20 30 CDEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000349751624 360935329 /nfs/dbraw/zinc/93/53/29/360935329.db2.gz WBJBOVHZJNSXQD-CQSZACIVSA-N 1 2 293.330 1.323 20 30 CDEDLO Cc1c(F)cccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000575320507 361336646 /nfs/dbraw/zinc/33/66/46/361336646.db2.gz WXZKUXYVGVTLRM-AWEZNQCLSA-N 1 2 263.316 1.708 20 30 CDEDLO C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)[C@H]1CCOC1 ZINC000329355265 361488679 /nfs/dbraw/zinc/48/86/79/361488679.db2.gz VTAPYHFBVIRBBM-QEJZJMRPSA-N 1 2 296.411 1.869 20 30 CDEDLO C[C@H](NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)[C@H]1CCOC1 ZINC000329355265 361488688 /nfs/dbraw/zinc/48/86/88/361488688.db2.gz VTAPYHFBVIRBBM-QEJZJMRPSA-N 1 2 296.411 1.869 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2CCC#N)O1 ZINC000374572801 370729351 /nfs/dbraw/zinc/72/93/51/370729351.db2.gz RBTNZJAJUQKSEL-QCNOEVLYSA-N 1 2 252.314 1.083 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2CCC#N)O1 ZINC000374572801 370729355 /nfs/dbraw/zinc/72/93/55/370729355.db2.gz RBTNZJAJUQKSEL-QCNOEVLYSA-N 1 2 252.314 1.083 20 30 CDEDLO C[C@@H]1C[C@H](NC(=O)CNc2ccc(C#N)cc2)c2[nH+]ccn21 ZINC000456409830 364328268 /nfs/dbraw/zinc/32/82/68/364328268.db2.gz ZWBKJPWRBDNAFC-RISCZKNCSA-N 1 2 295.346 1.989 20 30 CDEDLO COC(=O)C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000148887815 364446831 /nfs/dbraw/zinc/44/68/31/364446831.db2.gz MOXUSBYRKPCNEA-AWEZNQCLSA-N 1 2 274.320 1.322 20 30 CDEDLO COC(=O)C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000148887815 364446837 /nfs/dbraw/zinc/44/68/37/364446837.db2.gz MOXUSBYRKPCNEA-AWEZNQCLSA-N 1 2 274.320 1.322 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1CCC(F)(F)CC1 ZINC000574975337 364459950 /nfs/dbraw/zinc/45/99/50/364459950.db2.gz UKMIBQFXAJXEBL-GFCCVEGCSA-N 1 2 273.327 1.772 20 30 CDEDLO CC(=O)NC[C@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000249089321 364482915 /nfs/dbraw/zinc/48/29/15/364482915.db2.gz CPCLYGSORJGNTD-LRDDRELGSA-N 1 2 287.363 1.456 20 30 CDEDLO CC(=O)NC[C@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000249089321 364482923 /nfs/dbraw/zinc/48/29/23/364482923.db2.gz CPCLYGSORJGNTD-LRDDRELGSA-N 1 2 287.363 1.456 20 30 CDEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1nccs1 ZINC000566687604 370792830 /nfs/dbraw/zinc/79/28/30/370792830.db2.gz OPSBJORFLYCKOQ-BDAKNGLRSA-N 1 2 252.343 1.752 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121629754 367062628 /nfs/dbraw/zinc/06/26/28/367062628.db2.gz BWTIAFYDAFTGIO-CQSZACIVSA-N 1 2 280.274 1.784 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121629754 367062635 /nfs/dbraw/zinc/06/26/35/367062635.db2.gz BWTIAFYDAFTGIO-CQSZACIVSA-N 1 2 280.274 1.784 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1scnc1C ZINC000066565762 368355090 /nfs/dbraw/zinc/35/50/90/368355090.db2.gz XZOHMECEJQRNMR-JTQLQIEISA-N 1 2 253.371 1.574 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1scnc1C ZINC000066565762 368355095 /nfs/dbraw/zinc/35/50/95/368355095.db2.gz XZOHMECEJQRNMR-JTQLQIEISA-N 1 2 253.371 1.574 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000074085095 369229185 /nfs/dbraw/zinc/22/91/85/369229185.db2.gz AMINIYGAZBHVBP-UHFFFAOYSA-N 1 2 258.321 1.086 20 30 CDEDLO CC[C@@H](NC(=O)COc1ccccc1C#N)c1[nH]cc[nH+]1 ZINC000139664139 369676417 /nfs/dbraw/zinc/67/64/17/369676417.db2.gz BYKRDTCYCHKLPM-GFCCVEGCSA-N 1 2 284.319 1.928 20 30 CDEDLO C#CCN(C(=O)NCc1[nH+]ccn1C)C1CCCC1 ZINC000490831257 261219571 /nfs/dbraw/zinc/21/95/71/261219571.db2.gz RZPHXNPEZXTCKY-UHFFFAOYSA-N 1 2 260.341 1.508 20 30 CDEDLO N#C[C@@H]1CC[C@@H]([NH2+]Cc2n[nH]cc2Br)C1 ZINC000389666478 370015524 /nfs/dbraw/zinc/01/55/24/370015524.db2.gz ORLSMETXUCDOBC-HTQZYQBOSA-N 1 2 269.146 1.954 20 30 CDEDLO N#CC1(CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000555680300 370235593 /nfs/dbraw/zinc/23/55/93/370235593.db2.gz KXBWNCMCBBXVCL-UHFFFAOYSA-N 1 2 299.378 1.785 20 30 CDEDLO N#CCN1CC[NH+](Cc2ccc3c(n2)CCC3)CC1 ZINC000568044108 371200945 /nfs/dbraw/zinc/20/09/45/371200945.db2.gz VERJSUNETVOVIE-UHFFFAOYSA-N 1 2 256.353 1.211 20 30 CDEDLO Cc1onc(CC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C#N ZINC000331767163 204137965 /nfs/dbraw/zinc/13/79/65/204137965.db2.gz GXQJTJMYWHOOTL-LLVKDONJSA-N 1 2 299.334 1.527 20 30 CDEDLO CN(CCCn1cc[nH+]c1)c1nc2ccccn2c1C#N ZINC000272926580 372392228 /nfs/dbraw/zinc/39/22/28/372392228.db2.gz RIUHVFPMYJKECJ-UHFFFAOYSA-N 1 2 280.335 1.929 20 30 CDEDLO C[C@H](C#N)CNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000182607130 372608902 /nfs/dbraw/zinc/60/89/02/372608902.db2.gz XGSNWLVLQVEEGN-GFCCVEGCSA-N 1 2 283.335 1.831 20 30 CDEDLO COc1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc1OC ZINC000579686547 372635503 /nfs/dbraw/zinc/63/55/03/372635503.db2.gz YLKBWWDNSRDUCF-LBPRGKRZSA-N 1 2 294.351 1.289 20 30 CDEDLO COc1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc1OC ZINC000579686547 372635511 /nfs/dbraw/zinc/63/55/11/372635511.db2.gz YLKBWWDNSRDUCF-LBPRGKRZSA-N 1 2 294.351 1.289 20 30 CDEDLO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1cccnc1 ZINC000348301219 373102350 /nfs/dbraw/zinc/10/23/50/373102350.db2.gz GATWTXPKPNANTB-UHFFFAOYSA-N 1 2 294.358 1.701 20 30 CDEDLO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1cccnc1 ZINC000348301219 373102361 /nfs/dbraw/zinc/10/23/61/373102361.db2.gz GATWTXPKPNANTB-UHFFFAOYSA-N 1 2 294.358 1.701 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1csc(CC(=O)N(C)C)n1 ZINC000191086292 373442362 /nfs/dbraw/zinc/44/23/62/373442362.db2.gz BASOITUBGJXWME-UHFFFAOYSA-N 1 2 297.424 1.408 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1csc(CC(=O)N(C)C)n1 ZINC000191086292 373442369 /nfs/dbraw/zinc/44/23/69/373442369.db2.gz BASOITUBGJXWME-UHFFFAOYSA-N 1 2 297.424 1.408 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](CC)C[C@@H](C)C#N ZINC000064249200 373458375 /nfs/dbraw/zinc/45/83/75/373458375.db2.gz NWFPHHMCZGJDPJ-LBPRGKRZSA-N 1 2 250.346 1.230 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](CC)C[C@@H](C)C#N ZINC000064249200 373458385 /nfs/dbraw/zinc/45/83/85/373458385.db2.gz NWFPHHMCZGJDPJ-LBPRGKRZSA-N 1 2 250.346 1.230 20 30 CDEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192025565 373573035 /nfs/dbraw/zinc/57/30/35/373573035.db2.gz ZVFUZSUCKRCRJO-MNOVXSKESA-N 1 2 298.383 1.951 20 30 CDEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192025565 373573039 /nfs/dbraw/zinc/57/30/39/373573039.db2.gz ZVFUZSUCKRCRJO-MNOVXSKESA-N 1 2 298.383 1.951 20 30 CDEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC(O)(CC#N)C2)c1 ZINC000619444096 373852184 /nfs/dbraw/zinc/85/21/84/373852184.db2.gz WFILSSXZYHZFAZ-UHFFFAOYSA-N 1 2 296.330 1.281 20 30 CDEDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccccn1 ZINC000361146172 374035680 /nfs/dbraw/zinc/03/56/80/374035680.db2.gz AQZRQVWCIXHYRV-ABAIWWIYSA-N 1 2 280.331 1.830 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000370026812 374374392 /nfs/dbraw/zinc/37/43/92/374374392.db2.gz LXQCVWOVHBRMLZ-UHFFFAOYSA-N 1 2 292.302 1.397 20 30 CDEDLO CCOc1ccc(C#N)cc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081291418 374499856 /nfs/dbraw/zinc/49/98/56/374499856.db2.gz CHJPTTWTIJYNOI-AWEZNQCLSA-N 1 2 289.335 1.226 20 30 CDEDLO CCOc1ccc(C#N)cc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081291418 374499860 /nfs/dbraw/zinc/49/98/60/374499860.db2.gz CHJPTTWTIJYNOI-AWEZNQCLSA-N 1 2 289.335 1.226 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000376095939 374537575 /nfs/dbraw/zinc/53/75/75/374537575.db2.gz OOBKMGXULIJYMH-LLVKDONJSA-N 1 2 283.335 1.640 20 30 CDEDLO N#Cc1ccc(N2CCN(Cc3c[nH+]c[nH]3)CC2)c(F)c1 ZINC000092597011 374699846 /nfs/dbraw/zinc/69/98/46/374699846.db2.gz CVUFHQDARKPUNN-UHFFFAOYSA-N 1 2 285.326 1.743 20 30 CDEDLO N#Cc1ccc(N2CCN(Cc3c[nH]c[nH+]3)CC2)c(F)c1 ZINC000092597011 374699850 /nfs/dbraw/zinc/69/98/50/374699850.db2.gz CVUFHQDARKPUNN-UHFFFAOYSA-N 1 2 285.326 1.743 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)ccc1F ZINC000274895297 374686650 /nfs/dbraw/zinc/68/66/50/374686650.db2.gz QSCKLBJZQHVVPW-UHFFFAOYSA-N 1 2 284.294 1.339 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCc3n[nH]c(=O)cc3C2)ccc1F ZINC000274895297 374686653 /nfs/dbraw/zinc/68/66/53/374686653.db2.gz QSCKLBJZQHVVPW-UHFFFAOYSA-N 1 2 284.294 1.339 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000330817963 374872290 /nfs/dbraw/zinc/87/22/90/374872290.db2.gz LXOYTRGSXYVJSY-RISCZKNCSA-N 1 2 274.320 1.493 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000330817963 374872299 /nfs/dbraw/zinc/87/22/99/374872299.db2.gz LXOYTRGSXYVJSY-RISCZKNCSA-N 1 2 274.320 1.493 20 30 CDEDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccccc1C#N)CCO2 ZINC000280609479 375006575 /nfs/dbraw/zinc/00/65/75/375006575.db2.gz XOPJBCHIYOTMJC-CZUORRHYSA-N 1 2 272.348 1.938 20 30 CDEDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccccc1C#N)CCO2 ZINC000280609479 375006579 /nfs/dbraw/zinc/00/65/79/375006579.db2.gz XOPJBCHIYOTMJC-CZUORRHYSA-N 1 2 272.348 1.938 20 30 CDEDLO COc1cc(C[N@H+](C)Cc2cnccn2)ccc1C#N ZINC000282469722 375088087 /nfs/dbraw/zinc/08/80/87/375088087.db2.gz WFIRZZYYPJGDIS-UHFFFAOYSA-N 1 2 268.320 1.989 20 30 CDEDLO COc1cc(C[N@@H+](C)Cc2cnccn2)ccc1C#N ZINC000282469722 375088091 /nfs/dbraw/zinc/08/80/91/375088091.db2.gz WFIRZZYYPJGDIS-UHFFFAOYSA-N 1 2 268.320 1.989 20 30 CDEDLO COC(=O)CCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000053420250 375268840 /nfs/dbraw/zinc/26/88/40/375268840.db2.gz JBIMSTABDCPKGM-UHFFFAOYSA-N 1 2 287.363 1.239 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccoc1 ZINC000049068103 375397460 /nfs/dbraw/zinc/39/74/60/375397460.db2.gz NCURUBSHFOIPKO-CQSZACIVSA-N 1 2 263.341 1.766 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccoc1 ZINC000049068103 375397465 /nfs/dbraw/zinc/39/74/65/375397465.db2.gz NCURUBSHFOIPKO-CQSZACIVSA-N 1 2 263.341 1.766 20 30 CDEDLO CC1CC(C#N)(C(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000532065470 375806844 /nfs/dbraw/zinc/80/68/44/375806844.db2.gz OPKPZLVFAVYQNN-UHFFFAOYSA-N 1 2 298.390 1.666 20 30 CDEDLO CC(C)(C)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000060855747 375853789 /nfs/dbraw/zinc/85/37/89/375853789.db2.gz QDWLNGGVPMJFPA-UHFFFAOYSA-N 1 2 281.400 1.497 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)[C@@H](C)CO)CCC2 ZINC000330591514 376285881 /nfs/dbraw/zinc/28/58/81/376285881.db2.gz YYHXHCHAQKZVNL-RYUDHWBXSA-N 1 2 280.372 1.296 20 30 CDEDLO Cc1onc(CC(=O)Nc2ccc[nH+]c2N(C)C)c1C#N ZINC000354447302 376737454 /nfs/dbraw/zinc/73/74/54/376737454.db2.gz WVBCUTKPPDHVEC-UHFFFAOYSA-N 1 2 285.307 1.497 20 30 CDEDLO C[C@@H]1C[N@H+](CCCOc2cccc(C#N)c2)CC(=O)N1 ZINC000296037426 376809111 /nfs/dbraw/zinc/80/91/11/376809111.db2.gz BETJGOSNMBQLCJ-GFCCVEGCSA-N 1 2 273.336 1.147 20 30 CDEDLO C[C@@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CC(=O)N1 ZINC000296037426 376809122 /nfs/dbraw/zinc/80/91/22/376809122.db2.gz BETJGOSNMBQLCJ-GFCCVEGCSA-N 1 2 273.336 1.147 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090010076 377734219 /nfs/dbraw/zinc/73/42/19/377734219.db2.gz VPOZZDLTVPHTFL-CQSZACIVSA-N 1 2 264.369 1.298 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000090010076 377734225 /nfs/dbraw/zinc/73/42/25/377734225.db2.gz VPOZZDLTVPHTFL-CQSZACIVSA-N 1 2 264.369 1.298 20 30 CDEDLO N#Cc1cccc(Nc2cnn(CC[NH+]3CCOCC3)c2)n1 ZINC000270048626 377840703 /nfs/dbraw/zinc/84/07/03/377840703.db2.gz LLLIYKBBELJOKM-UHFFFAOYSA-N 1 2 298.350 1.226 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)CCc1nc2ccccc2c(=O)[nH]1 ZINC000161922393 377793731 /nfs/dbraw/zinc/79/37/31/377793731.db2.gz WPMLSHVYEAKSCK-NSHDSACASA-N 1 2 270.336 1.700 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)CCc1nc2ccccc2c(=O)[nH]1 ZINC000161922393 377793739 /nfs/dbraw/zinc/79/37/39/377793739.db2.gz WPMLSHVYEAKSCK-NSHDSACASA-N 1 2 270.336 1.700 20 30 CDEDLO N#CC1CC[NH+](CC(=O)NCc2cc(F)cc(F)c2)CC1 ZINC000057873200 377858416 /nfs/dbraw/zinc/85/84/16/377858416.db2.gz ZTGVSUBGJYUMGO-UHFFFAOYSA-N 1 2 293.317 1.817 20 30 CDEDLO CC#CCNC(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000135116724 378162044 /nfs/dbraw/zinc/16/20/44/378162044.db2.gz HDNFNDLFPMQIIY-UHFFFAOYSA-N 1 2 274.368 1.750 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)s1 ZINC000245558230 378476447 /nfs/dbraw/zinc/47/64/47/378476447.db2.gz KKIQPQJBOILPMA-QWHCGFSZSA-N 1 2 275.377 1.863 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)s1 ZINC000245558230 378476454 /nfs/dbraw/zinc/47/64/54/378476454.db2.gz KKIQPQJBOILPMA-QWHCGFSZSA-N 1 2 275.377 1.863 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCOC[C@]23CCOC3)cc1 ZINC000195014041 378498308 /nfs/dbraw/zinc/49/83/08/378498308.db2.gz MNQHGDSKHLZPBS-QGZVFWFLSA-N 1 2 287.359 1.690 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCOC[C@]23CCOC3)cc1 ZINC000195014041 378498314 /nfs/dbraw/zinc/49/83/14/378498314.db2.gz MNQHGDSKHLZPBS-QGZVFWFLSA-N 1 2 287.359 1.690 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)CC(C)(C)O1 ZINC000065281397 378502919 /nfs/dbraw/zinc/50/29/19/378502919.db2.gz FSMYTXHDHASGFH-CYBMUJFWSA-N 1 2 292.383 1.142 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC(C)(C)O1 ZINC000065281397 378502931 /nfs/dbraw/zinc/50/29/31/378502931.db2.gz FSMYTXHDHASGFH-CYBMUJFWSA-N 1 2 292.383 1.142 20 30 CDEDLO C=CCCC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000185399821 378667173 /nfs/dbraw/zinc/66/71/73/378667173.db2.gz UVMXKNHCNKHXIY-UHFFFAOYSA-N 1 2 260.341 1.400 20 30 CDEDLO Cc1cc(C[NH2+][C@@H](C)c2ncnn2C)ccc1C#N ZINC000443996406 250069925 /nfs/dbraw/zinc/06/99/25/250069925.db2.gz UIHBPQZAELFFJX-NSHDSACASA-N 1 2 255.325 1.846 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000278910248 194207859 /nfs/dbraw/zinc/20/78/59/194207859.db2.gz QQCJOEFKGIGWTJ-INIZCTEOSA-N 1 2 291.395 1.871 20 30 CDEDLO Cc1ccc(C#N)cc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000174370080 379465525 /nfs/dbraw/zinc/46/55/25/379465525.db2.gz FWTSFXOUOUEORY-CYBMUJFWSA-N 1 2 259.309 1.136 20 30 CDEDLO Cc1ccc(C#N)cc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000174370080 379465527 /nfs/dbraw/zinc/46/55/27/379465527.db2.gz FWTSFXOUOUEORY-CYBMUJFWSA-N 1 2 259.309 1.136 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cccc(C#N)c1 ZINC000279273829 194362159 /nfs/dbraw/zinc/36/21/59/194362159.db2.gz JUIXPUNIMLBDON-CYBMUJFWSA-N 1 2 287.363 1.351 20 30 CDEDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1nn(C)cc1C#N ZINC000492495523 253231814 /nfs/dbraw/zinc/23/18/14/253231814.db2.gz XEEPODQTHWFSDM-SNAWJCMRSA-N 1 2 270.296 1.160 20 30 CDEDLO N#Cc1ccc(/C=C/C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000492755926 253288361 /nfs/dbraw/zinc/28/83/61/253288361.db2.gz ZIJKHJOVIKYAAI-LLYBFZRZSA-N 1 2 292.342 1.899 20 30 CDEDLO C#CC[N@@H+](C)[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000192223042 533112864 /nfs/dbraw/zinc/11/28/64/533112864.db2.gz MQGBJBJXTVQZTH-CYBMUJFWSA-N 1 2 258.321 1.366 20 30 CDEDLO C#CC[N@H+](C)[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000192223042 533112869 /nfs/dbraw/zinc/11/28/69/533112869.db2.gz MQGBJBJXTVQZTH-CYBMUJFWSA-N 1 2 258.321 1.366 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](CCC)[C@@H](CC)C(=O)OCC)C1=O ZINC000281276173 195177183 /nfs/dbraw/zinc/17/71/83/195177183.db2.gz IKHOHEOQSLFZPA-KBPBESRZSA-N 1 2 296.411 1.827 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](CCC)[C@@H](CC)C(=O)OCC)C1=O ZINC000281276173 195177185 /nfs/dbraw/zinc/17/71/85/195177185.db2.gz IKHOHEOQSLFZPA-KBPBESRZSA-N 1 2 296.411 1.827 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccnc(Cl)c2)C1=O ZINC000281393349 195223912 /nfs/dbraw/zinc/22/39/12/195223912.db2.gz PYQZSKKCYSFESW-GFCCVEGCSA-N 1 2 279.771 1.954 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccnc(Cl)c2)C1=O ZINC000281393349 195223914 /nfs/dbraw/zinc/22/39/14/195223914.db2.gz PYQZSKKCYSFESW-GFCCVEGCSA-N 1 2 279.771 1.954 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H]1CCCC[C@H]1O ZINC000574880679 335054941 /nfs/dbraw/zinc/05/49/41/335054941.db2.gz PWXXSUZAUOGOQB-HZPDHXFCSA-N 1 2 295.427 1.085 20 30 CDEDLO Cc1cc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c(C#N)cn1 ZINC000333471807 291944147 /nfs/dbraw/zinc/94/41/47/291944147.db2.gz NTMIVHVUOQULIS-DZGCQCFKSA-N 1 2 286.379 1.561 20 30 CDEDLO C=CCN1CC[C@@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1=O ZINC000281888528 195421027 /nfs/dbraw/zinc/42/10/27/195421027.db2.gz ONHLQIGNXOFFQC-CYBMUJFWSA-N 1 2 286.379 1.886 20 30 CDEDLO C=CCOCCCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427999895 390935575 /nfs/dbraw/zinc/93/55/75/390935575.db2.gz GLUDMTWZFPTEKM-LBPRGKRZSA-N 1 2 263.341 1.297 20 30 CDEDLO N#CCN1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000092936302 390898058 /nfs/dbraw/zinc/89/80/58/390898058.db2.gz RFMUGQMMXFDOSR-UHFFFAOYSA-N 1 2 269.348 1.604 20 30 CDEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)c2nnc(C)o2)cc1 ZINC000122199080 390898347 /nfs/dbraw/zinc/89/83/47/390898347.db2.gz YLYZMUJLOLGPLH-QMMMGPOBSA-N 1 2 276.296 1.785 20 30 CDEDLO O=C(N[C@H]1CCCNC1=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329446710 390989291 /nfs/dbraw/zinc/98/92/91/390989291.db2.gz OAAGVLFDBYKKQO-QWHCGFSZSA-N 1 2 295.383 1.705 20 30 CDEDLO O=C(N[C@H]1CCCNC1=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329446710 390989295 /nfs/dbraw/zinc/98/92/95/390989295.db2.gz OAAGVLFDBYKKQO-QWHCGFSZSA-N 1 2 295.383 1.705 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[S@](=O)CC[C@@H]1C ZINC000373033774 391103091 /nfs/dbraw/zinc/10/30/91/391103091.db2.gz XHPDEUGVZQCOJQ-ORAYPTAESA-N 1 2 284.425 1.030 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[S@](=O)CC[C@@H]1C ZINC000373033774 391103092 /nfs/dbraw/zinc/10/30/92/391103092.db2.gz XHPDEUGVZQCOJQ-ORAYPTAESA-N 1 2 284.425 1.030 20 30 CDEDLO C[NH+]1CCC(C#N)(NC(=O)CCCC(=O)C(C)(C)C)CC1 ZINC000648283229 391083606 /nfs/dbraw/zinc/08/36/06/391083606.db2.gz HVHDSAYREWRUDJ-UHFFFAOYSA-N 1 2 293.411 1.876 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000373794069 391131417 /nfs/dbraw/zinc/13/14/17/391131417.db2.gz ZIPGGEHVEMEFAG-GDBMZVCRSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000373794069 391131422 /nfs/dbraw/zinc/13/14/22/391131422.db2.gz ZIPGGEHVEMEFAG-GDBMZVCRSA-N 1 2 296.411 1.291 20 30 CDEDLO C#C[C@@H](NC(=O)N[C@@H](C)c1[nH+]ccn1CC)C(C)C ZINC000491464457 391138624 /nfs/dbraw/zinc/13/86/24/391138624.db2.gz RCLXUNVNNARMMG-NWDGAFQWSA-N 1 2 262.357 1.921 20 30 CDEDLO Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(F)(C#N)CC2)n1 ZINC000352451952 391142637 /nfs/dbraw/zinc/14/26/37/391142637.db2.gz ZIBYLXQXIMIPJA-SNVBAGLBSA-N 1 2 264.304 1.879 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000121832225 391147209 /nfs/dbraw/zinc/14/72/09/391147209.db2.gz ILKGSQVNXUUONB-INIZCTEOSA-N 1 2 274.364 1.536 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000121832225 391147212 /nfs/dbraw/zinc/14/72/12/391147212.db2.gz ILKGSQVNXUUONB-INIZCTEOSA-N 1 2 274.364 1.536 20 30 CDEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCC(=O)Nc1ccccc1 ZINC000266169284 391170796 /nfs/dbraw/zinc/17/07/96/391170796.db2.gz BYSVOBNOMCTPTK-LBPRGKRZSA-N 1 2 293.367 1.975 20 30 CDEDLO Cn1c[nH+]cc1CN1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000177076233 391163119 /nfs/dbraw/zinc/16/31/19/391163119.db2.gz NESOQUSTOGDPMY-MRXNPFEDSA-N 1 2 295.390 1.630 20 30 CDEDLO N#CCCCCNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000345385148 391168511 /nfs/dbraw/zinc/16/85/11/391168511.db2.gz RGFXLTDMPAERJN-AWEZNQCLSA-N 1 2 288.351 1.938 20 30 CDEDLO N#C[C@@H]1N(Cc2c[nH+]c[nH]2)CCC[C@]12CCCCO2 ZINC000366149985 391225502 /nfs/dbraw/zinc/22/55/02/391225502.db2.gz ADPMWJGHFUVZLG-UONOGXRCSA-N 1 2 260.341 1.837 20 30 CDEDLO N#C[C@@H]1N(Cc2c[nH]c[nH+]2)CCC[C@]12CCCCO2 ZINC000366149985 391225503 /nfs/dbraw/zinc/22/55/03/391225503.db2.gz ADPMWJGHFUVZLG-UONOGXRCSA-N 1 2 260.341 1.837 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269679021 391254775 /nfs/dbraw/zinc/25/47/75/391254775.db2.gz XUDKAONLICOLGX-GWCFXTLKSA-N 1 2 263.297 1.862 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269679021 391254779 /nfs/dbraw/zinc/25/47/79/391254779.db2.gz XUDKAONLICOLGX-GWCFXTLKSA-N 1 2 263.297 1.862 20 30 CDEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1ncc(C)s1 ZINC000185037113 391283450 /nfs/dbraw/zinc/28/34/50/391283450.db2.gz QGWXCZYVMZHWRC-NSHDSACASA-N 1 2 280.397 1.864 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000339752092 391345963 /nfs/dbraw/zinc/34/59/63/391345963.db2.gz JFNALKSAXUNKJU-GFCCVEGCSA-N 1 2 294.345 1.967 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000339752092 391345966 /nfs/dbraw/zinc/34/59/66/391345966.db2.gz JFNALKSAXUNKJU-GFCCVEGCSA-N 1 2 294.345 1.967 20 30 CDEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(F)c(F)c1 ZINC000346829654 391374304 /nfs/dbraw/zinc/37/43/04/391374304.db2.gz RGINDQUWUOGTNE-UHFFFAOYSA-N 1 2 293.317 1.959 20 30 CDEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(F)c(F)c1 ZINC000346829654 391374307 /nfs/dbraw/zinc/37/43/07/391374307.db2.gz RGINDQUWUOGTNE-UHFFFAOYSA-N 1 2 293.317 1.959 20 30 CDEDLO CCC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CCO1 ZINC000330489894 391432387 /nfs/dbraw/zinc/43/23/87/391432387.db2.gz MRZHZNFQYQNDCD-IIAWOOMASA-N 1 2 295.427 1.930 20 30 CDEDLO CCC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CCO1 ZINC000330489894 391432390 /nfs/dbraw/zinc/43/23/90/391432390.db2.gz MRZHZNFQYQNDCD-IIAWOOMASA-N 1 2 295.427 1.930 20 30 CDEDLO C=CCCOCCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000355273936 391447170 /nfs/dbraw/zinc/44/71/70/391447170.db2.gz YXJYYIXENXTQRE-UHFFFAOYSA-N 1 2 290.354 1.672 20 30 CDEDLO Cn1nccc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367064761 391465569 /nfs/dbraw/zinc/46/55/69/391465569.db2.gz FJQHWXLMIRJDFU-UHFFFAOYSA-N 1 2 281.363 1.872 20 30 CDEDLO C=CCn1cc(C(=O)NCc2c[nH+]c(C)cc2C)nn1 ZINC000648412762 391468338 /nfs/dbraw/zinc/46/83/38/391468338.db2.gz BEOFVOTWCGKUTG-UHFFFAOYSA-N 1 2 271.324 1.406 20 30 CDEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000329080009 391566028 /nfs/dbraw/zinc/56/60/28/391566028.db2.gz RDRBJDSYKHZQJL-GXFFZTMASA-N 1 2 280.372 1.326 20 30 CDEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000329080009 391566033 /nfs/dbraw/zinc/56/60/33/391566033.db2.gz RDRBJDSYKHZQJL-GXFFZTMASA-N 1 2 280.372 1.326 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)c(Cl)c1 ZINC000439449607 391635677 /nfs/dbraw/zinc/63/56/77/391635677.db2.gz INPQIYZYHUELTO-NSHDSACASA-N 1 2 299.783 1.074 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)c(Cl)c1 ZINC000439449607 391635683 /nfs/dbraw/zinc/63/56/83/391635683.db2.gz INPQIYZYHUELTO-NSHDSACASA-N 1 2 299.783 1.074 20 30 CDEDLO O=C(C[C@@H]1CCCO1)NCC1([NH+]2CCOCC2)CC1 ZINC000329910376 391611983 /nfs/dbraw/zinc/61/19/83/391611983.db2.gz VURAOLFGWWQVAB-LBPRGKRZSA-N 1 2 268.357 1.377 20 30 CDEDLO C=CCN1CC[C@H](N2CCN(C)c3[nH+]cccc32)C1=O ZINC000282009957 391669281 /nfs/dbraw/zinc/66/92/81/391669281.db2.gz OILMXNGHPNEOQL-ZDUSSCGKSA-N 1 2 272.352 1.125 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H]1CCc2ccccc2C1)C(=O)OC ZINC000361114784 391683578 /nfs/dbraw/zinc/68/35/78/391683578.db2.gz UROBIVYHGNEMGK-CVEARBPZSA-N 1 2 289.375 1.878 20 30 CDEDLO CC#CC[NH+]1CCN(c2cc(OC)ccc2F)CC1 ZINC000361922689 391703550 /nfs/dbraw/zinc/70/35/50/391703550.db2.gz AYZARCVNOGEXCX-UHFFFAOYSA-N 1 2 262.328 1.980 20 30 CDEDLO CCC[N@H+](CC(=O)OCC)Cc1cc(C#N)n(C)c1 ZINC000191266617 130211029 /nfs/dbraw/zinc/21/10/29/130211029.db2.gz OYDZXURPSMWJCF-UHFFFAOYSA-N 1 2 263.341 1.672 20 30 CDEDLO CCC[N@@H+](CC(=O)OCC)Cc1cc(C#N)n(C)c1 ZINC000191266617 130211030 /nfs/dbraw/zinc/21/10/30/130211030.db2.gz OYDZXURPSMWJCF-UHFFFAOYSA-N 1 2 263.341 1.672 20 30 CDEDLO N#CC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCCC1 ZINC000372307554 391846801 /nfs/dbraw/zinc/84/68/01/391846801.db2.gz FVKPXANGOHNPPY-GFCCVEGCSA-N 1 2 272.352 1.788 20 30 CDEDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000171633586 391956194 /nfs/dbraw/zinc/95/61/94/391956194.db2.gz RGORCYSDKBTGEN-OAHLLOKOSA-N 1 2 282.347 1.521 20 30 CDEDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000171633586 391956196 /nfs/dbraw/zinc/95/61/96/391956196.db2.gz RGORCYSDKBTGEN-OAHLLOKOSA-N 1 2 282.347 1.521 20 30 CDEDLO C[C@@H]1CSCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000172590577 392176333 /nfs/dbraw/zinc/17/63/33/392176333.db2.gz PKIFBNOQVQRDQR-MFKMUULPSA-N 1 2 267.398 1.232 20 30 CDEDLO C[C@@H]1CSCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000172590577 392176336 /nfs/dbraw/zinc/17/63/36/392176336.db2.gz PKIFBNOQVQRDQR-MFKMUULPSA-N 1 2 267.398 1.232 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000255754979 131144772 /nfs/dbraw/zinc/14/47/72/131144772.db2.gz KJHNYBXDNYIMLR-YCPHGPKFSA-N 1 2 286.375 1.586 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000255754979 131144774 /nfs/dbraw/zinc/14/47/74/131144774.db2.gz KJHNYBXDNYIMLR-YCPHGPKFSA-N 1 2 286.375 1.586 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(F)cc2)CC1 ZINC000490778352 392538958 /nfs/dbraw/zinc/53/89/58/392538958.db2.gz DZESLAJSIOIPPU-UHFFFAOYSA-N 1 2 275.327 1.015 20 30 CDEDLO C=C[C@H](O)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000646781763 392757637 /nfs/dbraw/zinc/75/76/37/392757637.db2.gz KPRSXUFPCCPNPN-LBPRGKRZSA-N 1 2 264.325 1.212 20 30 CDEDLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000361600389 392761497 /nfs/dbraw/zinc/76/14/97/392761497.db2.gz CGJODGSGEPTFFG-CQSZACIVSA-N 1 2 274.368 1.339 20 30 CDEDLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000361600389 392761499 /nfs/dbraw/zinc/76/14/99/392761499.db2.gz CGJODGSGEPTFFG-CQSZACIVSA-N 1 2 274.368 1.339 20 30 CDEDLO COc1ccc[nH+]c1NCCCc1[nH]nc(N)c1C#N ZINC000527829000 392990593 /nfs/dbraw/zinc/99/05/93/392990593.db2.gz GTPFLMGCNRRDHQ-UHFFFAOYSA-N 1 2 272.312 1.142 20 30 CDEDLO Cc1cc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c(C#N)cn1 ZINC000425227490 392997031 /nfs/dbraw/zinc/99/70/31/392997031.db2.gz OXBKTWSSCKOVNE-CHWSQXEVSA-N 1 2 274.368 1.205 20 30 CDEDLO CCO[C@@H]1C[C@H](Nc2cc(C)[nH+]cc2C#N)[C@H]1OC ZINC000425237707 393000837 /nfs/dbraw/zinc/00/08/37/393000837.db2.gz HMRKPKJEYOZSKL-BFHYXJOUSA-N 1 2 261.325 1.288 20 30 CDEDLO CC(=O)N1CCC[C@H](CNc2cc(C)[nH+]cc2C#N)C1 ZINC000425262973 393008535 /nfs/dbraw/zinc/00/85/35/393008535.db2.gz SKZDHXLHGIZHNY-CYBMUJFWSA-N 1 2 272.352 1.354 20 30 CDEDLO CCN1CCN(c2ccc(C#N)nc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530428721 393052179 /nfs/dbraw/zinc/05/21/79/393052179.db2.gz UFZRRAWURMQLHS-CQSZACIVSA-N 1 2 282.351 1.560 20 30 CDEDLO N#Cc1ccc(/C=C/C(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000493598999 393215643 /nfs/dbraw/zinc/21/56/43/393215643.db2.gz QOSJYZYZHQVPFF-AATRIKPKSA-N 1 2 278.315 1.810 20 30 CDEDLO N#Cc1cccc(CN2CCn3cc[nH+]c3C2)c1F ZINC000223528167 140172783 /nfs/dbraw/zinc/17/27/83/140172783.db2.gz QSELMVLQOAEWKD-UHFFFAOYSA-N 1 2 256.284 1.910 20 30 CDEDLO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NC1CC1 ZINC000649659950 397891331 /nfs/dbraw/zinc/89/13/31/397891331.db2.gz OQJUCWBJJOETPI-OAHLLOKOSA-N 1 2 256.349 1.878 20 30 CDEDLO C=CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NC1CC1 ZINC000649659950 397891333 /nfs/dbraw/zinc/89/13/33/397891333.db2.gz OQJUCWBJJOETPI-OAHLLOKOSA-N 1 2 256.349 1.878 20 30 CDEDLO N#Cc1ccccc1OCC(=O)NCCNc1cccc[nH+]1 ZINC000357721233 398135041 /nfs/dbraw/zinc/13/50/41/398135041.db2.gz CAUMNOJBHMDYKP-UHFFFAOYSA-N 1 2 296.330 1.560 20 30 CDEDLO CN1CC[C@H]([N@H+](C)Cc2ccc(F)cc2C#N)C1=O ZINC000334241991 149385597 /nfs/dbraw/zinc/38/55/97/149385597.db2.gz OATMZEPFDJEKPS-ZDUSSCGKSA-N 1 2 261.300 1.360 20 30 CDEDLO CN1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2C#N)C1=O ZINC000334241991 149385601 /nfs/dbraw/zinc/38/56/01/149385601.db2.gz OATMZEPFDJEKPS-ZDUSSCGKSA-N 1 2 261.300 1.360 20 30 CDEDLO CCN1CC[N@H+](Cc2cccc(C#N)c2)[C@H](C)C1=O ZINC000335833721 151059196 /nfs/dbraw/zinc/05/91/96/151059196.db2.gz JTKISNPRHMRJGE-GFCCVEGCSA-N 1 2 257.337 1.611 20 30 CDEDLO CCN1CC[N@@H+](Cc2cccc(C#N)c2)[C@H](C)C1=O ZINC000335833721 151059197 /nfs/dbraw/zinc/05/91/97/151059197.db2.gz JTKISNPRHMRJGE-GFCCVEGCSA-N 1 2 257.337 1.611 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)c1cccc(F)c1C#N ZINC000336015383 151197982 /nfs/dbraw/zinc/19/79/82/151197982.db2.gz PQYKMPWXJKUEQA-UHFFFAOYSA-N 1 2 258.256 1.361 20 30 CDEDLO CCn1ncnc1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344113355 152423157 /nfs/dbraw/zinc/42/31/57/152423157.db2.gz MERHHQHFZKZWDG-UHFFFAOYSA-N 1 2 299.378 1.818 20 30 CDEDLO CCn1ncnc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344113355 152423158 /nfs/dbraw/zinc/42/31/58/152423158.db2.gz MERHHQHFZKZWDG-UHFFFAOYSA-N 1 2 299.378 1.818 20 30 CDEDLO N#Cc1ccncc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000362717045 159221862 /nfs/dbraw/zinc/22/18/62/159221862.db2.gz SVBHRBMFBBTQNY-LBPRGKRZSA-N 1 2 281.319 1.696 20 30 CDEDLO Cn1cc(CNc2ccc(-c3cncnc3)c[nH+]2)cc1C#N ZINC000373961508 160240926 /nfs/dbraw/zinc/24/09/26/160240926.db2.gz FSBNREZFMWHETE-UHFFFAOYSA-N 1 2 290.330 1.783 20 30 CDEDLO C=C(CC)CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000665063727 413830105 /nfs/dbraw/zinc/83/01/05/413830105.db2.gz QCDOKXCUQITTID-CHWSQXEVSA-N 1 2 269.389 1.361 20 30 CDEDLO C=C(CC)CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000665063727 413830111 /nfs/dbraw/zinc/83/01/11/413830111.db2.gz QCDOKXCUQITTID-CHWSQXEVSA-N 1 2 269.389 1.361 20 30 CDEDLO COC(=O)[C@@H]([NH2+]CCOc1ccc(C#N)cc1)C(C)C ZINC000043442393 175046127 /nfs/dbraw/zinc/04/61/27/175046127.db2.gz NMESLTLWMWFNFR-AWEZNQCLSA-N 1 2 276.336 1.724 20 30 CDEDLO CO[C@H]1C[C@@H](C(=O)Nc2cccc3c2OCO3)[N@H+](C)C1 ZINC000329049753 227273805 /nfs/dbraw/zinc/27/38/05/227273805.db2.gz QXEZUUALTLJZHD-ONGXEEELSA-N 1 2 278.308 1.722 20 30 CDEDLO CO[C@H]1C[C@@H](C(=O)Nc2cccc3c2OCO3)[N@@H+](C)C1 ZINC000329049753 227273810 /nfs/dbraw/zinc/27/38/10/227273810.db2.gz QXEZUUALTLJZHD-ONGXEEELSA-N 1 2 278.308 1.722 20 30 CDEDLO O=C(C[N@@H+]1CCCOCC1)NC[C@@H]1Cc2ccccc2O1 ZINC000329271114 227397878 /nfs/dbraw/zinc/39/78/78/227397878.db2.gz JCMMISNYTOPCSH-AWEZNQCLSA-N 1 2 290.363 1.669 20 30 CDEDLO O=C(C[N@H+]1CCCOCC1)NC[C@@H]1Cc2ccccc2O1 ZINC000329271114 227397884 /nfs/dbraw/zinc/39/78/84/227397884.db2.gz JCMMISNYTOPCSH-AWEZNQCLSA-N 1 2 290.363 1.669 20 30 CDEDLO Cc1cc(N)nc(S[C@@H](C)C(=O)NC2(C#N)CCC2)[nH+]1 ZINC000331878306 228134383 /nfs/dbraw/zinc/13/43/83/228134383.db2.gz NJAUFCFPMRODBM-VIFPVBQESA-N 1 2 291.380 1.241 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1nnc(C(C)C)s1 ZINC000490838474 261221601 /nfs/dbraw/zinc/22/16/01/261221601.db2.gz BWQQSTMGHSORPC-UHFFFAOYSA-N 1 2 266.370 1.555 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1nnc(C(C)C)s1 ZINC000490838474 261221602 /nfs/dbraw/zinc/22/16/02/261221602.db2.gz BWQQSTMGHSORPC-UHFFFAOYSA-N 1 2 266.370 1.555 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000248967803 261226950 /nfs/dbraw/zinc/22/69/50/261226950.db2.gz SCLBMKAECZQPBV-VNHYZAJKSA-N 1 2 268.401 1.814 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000248967802 261227556 /nfs/dbraw/zinc/22/75/56/261227556.db2.gz SCLBMKAECZQPBV-KCQAQPDRSA-N 1 2 268.401 1.814 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000490867086 261231860 /nfs/dbraw/zinc/23/18/60/261231860.db2.gz ZEHGEZWDHFZBSR-UHFFFAOYSA-N 1 2 260.293 1.309 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000490867086 261231862 /nfs/dbraw/zinc/23/18/62/261231862.db2.gz ZEHGEZWDHFZBSR-UHFFFAOYSA-N 1 2 260.293 1.309 20 30 CDEDLO C#CCN(CC)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000490876719 261234409 /nfs/dbraw/zinc/23/44/09/261234409.db2.gz VIXVFLFLYTTXFN-ZDUSSCGKSA-N 1 2 274.368 1.734 20 30 CDEDLO C#C[C@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000490951370 261263788 /nfs/dbraw/zinc/26/37/88/261263788.db2.gz XHNHUKMRBVTNRJ-NEPJUHHUSA-N 1 2 260.341 1.155 20 30 CDEDLO C#CCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000491096273 261326044 /nfs/dbraw/zinc/32/60/44/261326044.db2.gz QVBXJOAVYXPAJQ-CYBMUJFWSA-N 1 2 253.305 1.681 20 30 CDEDLO COCc1noc(CO[NH+]=C(N)c2ccc(OC)cc2)n1 ZINC000183166297 261965250 /nfs/dbraw/zinc/96/52/50/261965250.db2.gz ZWGBGFGNBCHMAU-UHFFFAOYSA-N 1 2 292.295 1.062 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)OC1CCC1 ZINC000497229563 262117466 /nfs/dbraw/zinc/11/74/66/262117466.db2.gz QLGPHDNOQXKLIK-UHFFFAOYSA-N 1 2 281.356 1.223 20 30 CDEDLO NC(COc1ccccc1)=[NH+]OCCO[C@@H]1CCCCO1 ZINC000194712096 262242113 /nfs/dbraw/zinc/24/21/13/262242113.db2.gz PTNFDCGAOFSOTL-OAHLLOKOSA-N 1 2 294.351 1.897 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](CC)Cc1cnn(C)c1 ZINC000161128784 262310775 /nfs/dbraw/zinc/31/07/75/262310775.db2.gz NFOJSXHDPXJZFF-UHFFFAOYSA-N 1 2 277.372 1.004 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](CC)Cc1cnn(C)c1 ZINC000161128784 262310776 /nfs/dbraw/zinc/31/07/76/262310776.db2.gz NFOJSXHDPXJZFF-UHFFFAOYSA-N 1 2 277.372 1.004 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000336687738 262380090 /nfs/dbraw/zinc/38/00/90/262380090.db2.gz AAERRHPHNSGQTD-DTWKUNHWSA-N 1 2 263.263 1.241 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000336687738 262380091 /nfs/dbraw/zinc/38/00/91/262380091.db2.gz AAERRHPHNSGQTD-DTWKUNHWSA-N 1 2 263.263 1.241 20 30 CDEDLO C[C@@H](C(=O)Nc1ncccn1)[NH+]1CCC(C)(C#N)CC1 ZINC000272495888 263005426 /nfs/dbraw/zinc/00/54/26/263005426.db2.gz CWVPFGMNPOFHTI-NSHDSACASA-N 1 2 273.340 1.429 20 30 CDEDLO CN(C)C(=O)CO[NH+]=C(N)Cc1ccccc1Cl ZINC000289474185 263110512 /nfs/dbraw/zinc/11/05/12/263110512.db2.gz XIFNFQWWXQWKCT-UHFFFAOYSA-N 1 2 269.732 1.260 20 30 CDEDLO CO/N=C/C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000289762934 263112009 /nfs/dbraw/zinc/11/20/09/263112009.db2.gz QKHUCXZOJGVVSP-PJQLUOCWSA-N 1 2 278.234 1.036 20 30 CDEDLO NC(=[NH+]OCc1cc(Br)no1)[C@@H]1CCCO1 ZINC000291802483 263125681 /nfs/dbraw/zinc/12/56/81/263125681.db2.gz BYJAQPUKXQBBEJ-ZETCQYMHSA-N 1 2 290.117 1.405 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N ZINC000299161585 263232564 /nfs/dbraw/zinc/23/25/64/263232564.db2.gz LKAOHIJWAQXDSR-CHWSQXEVSA-N 1 2 251.374 1.891 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000299161585 263232567 /nfs/dbraw/zinc/23/25/67/263232567.db2.gz LKAOHIJWAQXDSR-CHWSQXEVSA-N 1 2 251.374 1.891 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000340622947 263236136 /nfs/dbraw/zinc/23/61/36/263236136.db2.gz AKIBLDKSRDCMKF-UHFFFAOYSA-N 1 2 291.399 1.025 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000120463482 263284138 /nfs/dbraw/zinc/28/41/38/263284138.db2.gz ITTXRZAZOKODMX-DGCLKSJQSA-N 1 2 289.383 1.315 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000120463482 263284140 /nfs/dbraw/zinc/28/41/40/263284140.db2.gz ITTXRZAZOKODMX-DGCLKSJQSA-N 1 2 289.383 1.315 20 30 CDEDLO C=CCCS(=O)(=O)N1CCOc2cc[nH+]cc21 ZINC000121314623 263291003 /nfs/dbraw/zinc/29/10/03/263291003.db2.gz WLKJILYEGRVWIX-UHFFFAOYSA-N 1 2 254.311 1.186 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000341703593 263346750 /nfs/dbraw/zinc/34/67/50/263346750.db2.gz MMISCNXRQFYMPQ-TZMCWYRMSA-N 1 2 263.341 1.315 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2cnc(C)nc2)CC1 ZINC000341994202 263373135 /nfs/dbraw/zinc/37/31/35/263373135.db2.gz SENCAQUIKMKGHO-UHFFFAOYSA-N 1 2 260.341 1.537 20 30 CDEDLO CCc1nn(C)cc1NC(=O)N(C)Cc1[nH+]ccn1C ZINC000330710807 264020851 /nfs/dbraw/zinc/02/08/51/264020851.db2.gz UMXAVRWJODSPPQ-UHFFFAOYSA-N 1 2 276.344 1.394 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCO[C@H](c2noc(C)n2)C1 ZINC000330773718 264034482 /nfs/dbraw/zinc/03/44/82/264034482.db2.gz QQSHFPKPNZYNQM-RYUDHWBXSA-N 1 2 267.329 1.078 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCO[C@H](c2noc(C)n2)C1 ZINC000330773718 264034485 /nfs/dbraw/zinc/03/44/85/264034485.db2.gz QQSHFPKPNZYNQM-RYUDHWBXSA-N 1 2 267.329 1.078 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ncc(F)cc1F ZINC000331187129 264156519 /nfs/dbraw/zinc/15/65/19/264156519.db2.gz PERCTSZKLIXXOC-SECBINFHSA-N 1 2 285.294 1.385 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ncc(F)cc1F ZINC000331187129 264156520 /nfs/dbraw/zinc/15/65/20/264156520.db2.gz PERCTSZKLIXXOC-SECBINFHSA-N 1 2 285.294 1.385 20 30 CDEDLO CC(C)(C)[C@@H](C#N)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000334876828 277223428 /nfs/dbraw/zinc/22/34/28/277223428.db2.gz JFOUPRQIYLWSLA-MWLCHTKSSA-N 1 2 260.341 1.884 20 30 CDEDLO CC(C)(C)[C@@H](C#N)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000334876828 277223429 /nfs/dbraw/zinc/22/34/29/277223429.db2.gz JFOUPRQIYLWSLA-MWLCHTKSSA-N 1 2 260.341 1.884 20 30 CDEDLO Cc1nnc([C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)CCO2)[nH]1 ZINC000330236603 279107068 /nfs/dbraw/zinc/10/70/68/279107068.db2.gz HHWKAQJDQWMRFA-UTUOFQBUSA-N 1 2 261.329 1.179 20 30 CDEDLO Cc1nnc([C@@H]2C[N@H+]([C@@H]3CC[C@@H](C#N)C3)CCO2)[nH]1 ZINC000330236603 279107069 /nfs/dbraw/zinc/10/70/69/279107069.db2.gz HHWKAQJDQWMRFA-UTUOFQBUSA-N 1 2 261.329 1.179 20 30 CDEDLO C[C@@H]1CCN(C(=O)c2ccc(C#N)cn2)C[C@H]1n1cc[nH+]c1 ZINC000126003913 279482251 /nfs/dbraw/zinc/48/22/51/279482251.db2.gz GSSJJRWXVSUVTK-IUODEOHRSA-N 1 2 295.346 1.873 20 30 CDEDLO Cc1cc(N2CCN(c3ncc(F)cn3)CC2)c(C#N)c[nH+]1 ZINC000425237795 280560426 /nfs/dbraw/zinc/56/04/26/280560426.db2.gz HVAOHTNCUUSKLC-UHFFFAOYSA-N 1 2 298.325 1.517 20 30 CDEDLO CC[C@H](NC(=O)c1ncc(C#N)cc1C)c1[nH]cc[nH+]1 ZINC000551960926 290032901 /nfs/dbraw/zinc/03/29/01/290032901.db2.gz BXHVDAQAZTUIBD-NSHDSACASA-N 1 2 269.308 1.866 20 30 CDEDLO CC1(C)CC[N@H+](Cc2ccc(C#N)cn2)CC[S@@]1=O ZINC000568529327 294055509 /nfs/dbraw/zinc/05/55/09/294055509.db2.gz LBSROBJCWPPSRG-IBGZPJMESA-N 1 2 277.393 1.686 20 30 CDEDLO CC1(C)CC[N@@H+](Cc2ccc(C#N)cn2)CC[S@@]1=O ZINC000568529327 294055513 /nfs/dbraw/zinc/05/55/13/294055513.db2.gz LBSROBJCWPPSRG-IBGZPJMESA-N 1 2 277.393 1.686 20 30 CDEDLO Cc1cc(N2CCCC[C@H](S(C)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000572715417 294678168 /nfs/dbraw/zinc/67/81/68/294678168.db2.gz BCQFQQBDDBQRMF-ZDUSSCGKSA-N 1 2 293.392 1.665 20 30 CDEDLO N#Cc1nc(NC(=O)CC2(C[NH3+])CCCCC2)[nH]c1C#N ZINC000573204799 294772892 /nfs/dbraw/zinc/77/28/92/294772892.db2.gz MWDRYJACBBJUPB-UHFFFAOYSA-N 1 2 286.339 1.391 20 30 CDEDLO O=C(N[C@@H]1CCOC2(CCC2)C1)N1CCn2cc[nH+]c2C1 ZINC000330230653 295381777 /nfs/dbraw/zinc/38/17/77/295381777.db2.gz QQFPFHGFBFYBNA-GFCCVEGCSA-N 1 2 290.367 1.714 20 30 CDEDLO C[C@H](C(=O)N[C@]1(C#N)CC1(C)C)[NH+]1CCSCC1 ZINC000336084782 298193676 /nfs/dbraw/zinc/19/36/76/298193676.db2.gz ZXRWCPKMFMKGAS-MFKMUULPSA-N 1 2 267.398 1.232 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(=O)[nH][nH]2)cc1 ZINC000289444351 303190597 /nfs/dbraw/zinc/19/05/97/303190597.db2.gz WTWINHGLZMLYHV-CYBMUJFWSA-N 1 2 283.335 1.697 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(=O)[nH][nH]2)cc1 ZINC000289444351 303190600 /nfs/dbraw/zinc/19/06/00/303190600.db2.gz WTWINHGLZMLYHV-CYBMUJFWSA-N 1 2 283.335 1.697 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1nc2cccnc2s1 ZINC000563220804 327979587 /nfs/dbraw/zinc/97/95/87/327979587.db2.gz VRFKLRYEWBHFHN-ZDUSSCGKSA-N 1 2 289.364 1.265 20 30 CDEDLO C=CCC[NH+]1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000338545402 327984370 /nfs/dbraw/zinc/98/43/70/327984370.db2.gz CBJVJYYXYQOTSY-UHFFFAOYSA-N 1 2 294.420 1.877 20 30 CDEDLO O=C1OC[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)CCN12 ZINC000366297876 328001011 /nfs/dbraw/zinc/00/10/11/328001011.db2.gz MYTBUQASOHUXFX-AWEZNQCLSA-N 1 2 290.750 1.828 20 30 CDEDLO O=C1OC[C@@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)CCN12 ZINC000366297876 328001013 /nfs/dbraw/zinc/00/10/13/328001013.db2.gz MYTBUQASOHUXFX-AWEZNQCLSA-N 1 2 290.750 1.828 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCC[N@@H+]1CCOC[C@@H]1C)OCC ZINC000339349155 328007878 /nfs/dbraw/zinc/00/78/78/328007878.db2.gz YSROAFDRBSPSLL-UONOGXRCSA-N 1 2 284.400 1.195 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCC[N@H+]1CCOC[C@@H]1C)OCC ZINC000339349155 328007879 /nfs/dbraw/zinc/00/78/79/328007879.db2.gz YSROAFDRBSPSLL-UONOGXRCSA-N 1 2 284.400 1.195 20 30 CDEDLO Cc1cc(C)c(C#N)c(NCC2([NH+]3CCOCC3)CC2)n1 ZINC000577691196 317381296 /nfs/dbraw/zinc/38/12/96/317381296.db2.gz UVKKEFNZKPNMJY-UHFFFAOYSA-N 1 2 286.379 1.847 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(CC)nc2)C1=O ZINC000414450068 328177266 /nfs/dbraw/zinc/17/72/66/328177266.db2.gz VWCIHIKVKOPIOR-ZDUSSCGKSA-N 1 2 274.368 1.258 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(CC)nc2)C1=O ZINC000414450068 328177268 /nfs/dbraw/zinc/17/72/68/328177268.db2.gz VWCIHIKVKOPIOR-ZDUSSCGKSA-N 1 2 274.368 1.258 20 30 CDEDLO COc1ccccc1CO[NH+]=C(N)C(C)(C)NC(C)=O ZINC000268379071 328184451 /nfs/dbraw/zinc/18/44/51/328184451.db2.gz IYJYSIHLLLNXNO-UHFFFAOYSA-N 1 2 279.340 1.399 20 30 CDEDLO N#CCCCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000273337191 328204990 /nfs/dbraw/zinc/20/49/90/328204990.db2.gz ZPPPDEAAULOJRE-LLVKDONJSA-N 1 2 261.329 1.950 20 30 CDEDLO N#C[C@]1(NC(=O)CCn2cc[nH+]c2)CCc2ccccc2C1 ZINC000274481309 328211706 /nfs/dbraw/zinc/21/17/06/328211706.db2.gz OTXXGYONIDSFMI-KRWDZBQOSA-N 1 2 294.358 1.841 20 30 CDEDLO C=CC[C@@H](CO)C[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000340318046 328254921 /nfs/dbraw/zinc/25/49/21/328254921.db2.gz SSWIYVHAWRFBRN-ZYHUDNBSSA-N 1 2 278.381 1.730 20 30 CDEDLO N#CCCCC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000292560785 328271632 /nfs/dbraw/zinc/27/16/32/328271632.db2.gz JQTAVIJPNUMOCZ-UHFFFAOYSA-N 1 2 288.351 1.228 20 30 CDEDLO Cn1cc[nH+]c1[C@H](Nc1ccnc(C#N)n1)C1CC1 ZINC000579376649 324175318 /nfs/dbraw/zinc/17/53/18/324175318.db2.gz ZCEULOXAXXBGAJ-GFCCVEGCSA-N 1 2 254.297 1.645 20 30 CDEDLO COC(=O)c1cc(C[NH2+]C[C@H](C#N)CCC#N)oc1C ZINC000565769849 327007406 /nfs/dbraw/zinc/00/74/06/327007406.db2.gz UWTKFEDUYXIGML-NSHDSACASA-N 1 2 275.308 1.908 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000560668091 327335314 /nfs/dbraw/zinc/33/53/14/327335314.db2.gz QOXWLPRKCFPZOR-NEPJUHHUSA-N 1 2 257.293 1.864 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000566429439 327361287 /nfs/dbraw/zinc/36/12/87/327361287.db2.gz VOROGBBGQVLTLF-VIFPVBQESA-N 1 2 289.295 1.550 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCc1sccc1C ZINC000174050211 329156776 /nfs/dbraw/zinc/15/67/76/329156776.db2.gz VKVCJHNLCGJDFH-UHFFFAOYSA-N 1 2 260.362 1.241 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422218412 330132951 /nfs/dbraw/zinc/13/29/51/330132951.db2.gz XZYNMUNJMJAEMR-CQSZACIVSA-N 1 2 277.368 1.825 20 30 CDEDLO Cc1nnc([C@H](C)[NH2+]CC(=O)NC2(C#N)CCC2)s1 ZINC000527127953 330225088 /nfs/dbraw/zinc/22/50/88/330225088.db2.gz FCSZBSVFYPOSAG-QMMMGPOBSA-N 1 2 279.369 1.060 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@@H]1CCOC1 ZINC001267190016 1159167357 /nfs/dbraw/zinc/16/73/57/1159167357.db2.gz YMQWOSCQNIJBBM-NSHDSACASA-N 1 2 260.765 1.214 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@@H]1CCOC1 ZINC001267190016 1159167361 /nfs/dbraw/zinc/16/73/61/1159167361.db2.gz YMQWOSCQNIJBBM-NSHDSACASA-N 1 2 260.765 1.214 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(-c2ccccn2)no1 ZINC000514792114 330465490 /nfs/dbraw/zinc/46/54/90/330465490.db2.gz HHEBVOKPYIFVHQ-OAHLLOKOSA-N 1 2 299.334 1.310 20 30 CDEDLO C=CCC[C@@H](CO)Nc1nc(NC)c2ccccc2[nH+]1 ZINC000450910999 331006652 /nfs/dbraw/zinc/00/66/52/331006652.db2.gz JSRUGZANZDUBGR-NSHDSACASA-N 1 2 272.352 1.254 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](C1CC1)C1COC1 ZINC000451133478 331016916 /nfs/dbraw/zinc/01/69/16/331016916.db2.gz ZIMBUQZDKLWWDN-UHFFFAOYSA-N 1 2 252.358 1.274 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C1CC1)C1COC1 ZINC000451133478 331016917 /nfs/dbraw/zinc/01/69/17/331016917.db2.gz ZIMBUQZDKLWWDN-UHFFFAOYSA-N 1 2 252.358 1.274 20 30 CDEDLO C[C@@H]1CN(S(=O)(=O)CC2(CC#N)CC2)C[C@H](C)[N@H+]1C ZINC000451603704 331036086 /nfs/dbraw/zinc/03/60/86/331036086.db2.gz KHQZSBWDKYTICY-TXEJJXNPSA-N 1 2 285.413 1.034 20 30 CDEDLO C[C@@H]1CN(S(=O)(=O)CC2(CC#N)CC2)C[C@H](C)[N@@H+]1C ZINC000451603704 331036087 /nfs/dbraw/zinc/03/60/87/331036087.db2.gz KHQZSBWDKYTICY-TXEJJXNPSA-N 1 2 285.413 1.034 20 30 CDEDLO COC(=O)[C@H]1C[N@H+](CCC#N)C[C@@H]1c1ccccc1 ZINC000451995601 331049729 /nfs/dbraw/zinc/04/97/29/331049729.db2.gz OGSKMUGZMYFPEK-KGLIPLIRSA-N 1 2 258.321 1.789 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+](CCC#N)C[C@@H]1c1ccccc1 ZINC000451995601 331049730 /nfs/dbraw/zinc/04/97/30/331049730.db2.gz OGSKMUGZMYFPEK-KGLIPLIRSA-N 1 2 258.321 1.789 20 30 CDEDLO C=CCC1(CNC(=O)NCC[NH+]2CCOCC2)CCCC1 ZINC000454251135 331142888 /nfs/dbraw/zinc/14/28/88/331142888.db2.gz XKNCCHHUXJICGE-UHFFFAOYSA-N 1 2 295.427 1.754 20 30 CDEDLO CC#CCCNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000458673230 331256777 /nfs/dbraw/zinc/25/67/77/331256777.db2.gz ZDKVFUXLIBJXIZ-GFCCVEGCSA-N 1 2 274.368 1.926 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)NCc1c[nH+]c(C)cc1C ZINC000459081392 331269651 /nfs/dbraw/zinc/26/96/51/331269651.db2.gz QSAZXGXTLYLDCX-CYBMUJFWSA-N 1 2 277.368 1.682 20 30 CDEDLO CC[C@](COC)([NH2+]CCCC(C)(C)C#N)C(=O)OC ZINC000459590539 331289695 /nfs/dbraw/zinc/28/96/95/331289695.db2.gz NIVOTKUXHYEBOW-CQSZACIVSA-N 1 2 270.373 1.874 20 30 CDEDLO C=CCn1cccc1C(=O)NCCCn1cc[nH+]c1 ZINC000488548593 332016663 /nfs/dbraw/zinc/01/66/63/332016663.db2.gz MEIACJQWNMNNEU-UHFFFAOYSA-N 1 2 258.325 1.691 20 30 CDEDLO C#CC[NH+]1CCN(CN2CC[C@H](c3ccccc3)C2=O)CC1 ZINC000490913752 332128424 /nfs/dbraw/zinc/12/84/24/332128424.db2.gz DXWVPBJOKKSJHM-QGZVFWFLSA-N 1 2 297.402 1.211 20 30 CDEDLO C#C[C@H](NC(=O)NCc1c[nH+]ccc1OC)C(C)C ZINC000491285191 332180754 /nfs/dbraw/zinc/18/07/54/332180754.db2.gz BUGLKZNIGOEXAZ-LBPRGKRZSA-N 1 2 261.325 1.547 20 30 CDEDLO C#C[C@H](NC(=O)NCC1([NH+]2CCOCC2)CC1)C(C)(C)C ZINC000491307419 332187000 /nfs/dbraw/zinc/18/70/00/332187000.db2.gz QHIKOYDOMZWHHI-ZDUSSCGKSA-N 1 2 293.411 1.198 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@@](C)(C(C)(C)C)C1=O ZINC000491325387 332189569 /nfs/dbraw/zinc/18/95/69/332189569.db2.gz CBBAFNNHCDNYLG-QMTHXVAHSA-N 1 2 265.357 1.254 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@@](C)(C(C)(C)C)C1=O ZINC000491325387 332189571 /nfs/dbraw/zinc/18/95/71/332189571.db2.gz CBBAFNNHCDNYLG-QMTHXVAHSA-N 1 2 265.357 1.254 20 30 CDEDLO C#C[C@@H](CC)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000491362060 332197218 /nfs/dbraw/zinc/19/72/18/332197218.db2.gz PFGNXCPNTJKANU-HNNXBMFYSA-N 1 2 286.375 1.660 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000491464205 332216650 /nfs/dbraw/zinc/21/66/50/332216650.db2.gz QLTGZYAIYCFHCF-UKRRQHHQSA-N 1 2 270.332 1.811 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000491464205 332216651 /nfs/dbraw/zinc/21/66/51/332216651.db2.gz QLTGZYAIYCFHCF-UKRRQHHQSA-N 1 2 270.332 1.811 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000491617367 332244336 /nfs/dbraw/zinc/24/43/36/332244336.db2.gz AZGJXKDHJMSLMR-ZDUSSCGKSA-N 1 2 286.379 1.714 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](O)COc1cccc(C)c1 ZINC000491619015 332245392 /nfs/dbraw/zinc/24/53/92/332245392.db2.gz FFRJXCRRHYBCIV-LSDHHAIUSA-N 1 2 275.348 1.069 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](O)COc1cccc(C)c1 ZINC000491619015 332245393 /nfs/dbraw/zinc/24/53/93/332245393.db2.gz FFRJXCRRHYBCIV-LSDHHAIUSA-N 1 2 275.348 1.069 20 30 CDEDLO C#CC[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C1CC1 ZINC000491651683 332264786 /nfs/dbraw/zinc/26/47/86/332264786.db2.gz IGWUDGBIFSYDRX-ZDUSSCGKSA-N 1 2 250.386 1.977 20 30 CDEDLO C#CC[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C1CC1 ZINC000491651683 332264787 /nfs/dbraw/zinc/26/47/87/332264787.db2.gz IGWUDGBIFSYDRX-ZDUSSCGKSA-N 1 2 250.386 1.977 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCc1ccc(CC)s1 ZINC000491662038 332271629 /nfs/dbraw/zinc/27/16/29/332271629.db2.gz GNIZREYBIHZODJ-UHFFFAOYSA-N 1 2 250.367 1.492 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCc1ccc(CC)s1 ZINC000491662038 332271630 /nfs/dbraw/zinc/27/16/30/332271630.db2.gz GNIZREYBIHZODJ-UHFFFAOYSA-N 1 2 250.367 1.492 20 30 CDEDLO C#CCn1ccc(CN(CC)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)n1 ZINC000491663443 332272634 /nfs/dbraw/zinc/27/26/34/332272634.db2.gz SBRVWBHQAZQVNV-ZDUSSCGKSA-N 1 2 299.378 1.467 20 30 CDEDLO C#CCn1ccc(CN(CC)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)n1 ZINC000491663443 332272636 /nfs/dbraw/zinc/27/26/36/332272636.db2.gz SBRVWBHQAZQVNV-ZDUSSCGKSA-N 1 2 299.378 1.467 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(F)ccc2F)CC1 ZINC000491672417 332279087 /nfs/dbraw/zinc/27/90/87/332279087.db2.gz PEMIDLLKNJOPFC-UHFFFAOYSA-N 1 2 293.317 1.154 20 30 CDEDLO C#CCN(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000491700005 332294799 /nfs/dbraw/zinc/29/47/99/332294799.db2.gz NVYHNRXMWRBTEP-UHFFFAOYSA-N 1 2 268.320 1.647 20 30 CDEDLO C#C[C@H](NC(=O)C1([NH+]2CCOCC2)CCC1)C(C)(C)C ZINC000491712284 332303573 /nfs/dbraw/zinc/30/35/73/332303573.db2.gz YZQDCXCTWIARQX-ZDUSSCGKSA-N 1 2 278.396 1.405 20 30 CDEDLO C#CC[N@@H+](Cc1cnc(-c2cnn(C)c2)nc1)C1CC1 ZINC000491732777 332314157 /nfs/dbraw/zinc/31/41/57/332314157.db2.gz CJHBDNGJXQQMOT-UHFFFAOYSA-N 1 2 267.336 1.475 20 30 CDEDLO C#CC[N@H+](Cc1cnc(-c2cnn(C)c2)nc1)C1CC1 ZINC000491732777 332314158 /nfs/dbraw/zinc/31/41/58/332314158.db2.gz CJHBDNGJXQQMOT-UHFFFAOYSA-N 1 2 267.336 1.475 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1c(F)cccc1F ZINC000491735183 332315766 /nfs/dbraw/zinc/31/57/66/332315766.db2.gz LTNRVTADDOONII-VIFPVBQESA-N 1 2 252.264 1.857 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1c(F)cccc1F ZINC000491735183 332315767 /nfs/dbraw/zinc/31/57/67/332315767.db2.gz LTNRVTADDOONII-VIFPVBQESA-N 1 2 252.264 1.857 20 30 CDEDLO Cc1cc(NC(=O)C=Cc2c[nH]c[nH+]2)n(CCC#N)n1 ZINC000492856257 332416274 /nfs/dbraw/zinc/41/62/74/332416274.db2.gz BJNRHYVRGZGGQQ-ONEGZZNKSA-N 1 2 270.296 1.480 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607345 333090509 /nfs/dbraw/zinc/09/05/09/333090509.db2.gz SFYQEFDWMGXERD-UHFFFAOYSA-N 1 2 275.308 1.255 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607345 333090510 /nfs/dbraw/zinc/09/05/10/333090510.db2.gz SFYQEFDWMGXERD-UHFFFAOYSA-N 1 2 275.308 1.255 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000575927858 335132371 /nfs/dbraw/zinc/13/23/71/335132371.db2.gz SVNSFGIALQSRNG-VXGBXAGGSA-N 1 2 251.330 1.135 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+]CC(=O)Nc1ccccc1 ZINC000554552356 334437721 /nfs/dbraw/zinc/43/77/21/334437721.db2.gz URVDYNHPPVWYLH-GFCCVEGCSA-N 1 2 256.309 1.658 20 30 CDEDLO COCCc1noc(C[NH+]2CCC(CCC#N)CC2)n1 ZINC000564916278 334527881 /nfs/dbraw/zinc/52/78/81/334527881.db2.gz KRUQBYIWBNZMET-UHFFFAOYSA-N 1 2 278.356 1.774 20 30 CDEDLO C=C(C)[C@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)OCC ZINC000565429411 334563193 /nfs/dbraw/zinc/56/31/93/334563193.db2.gz YRDQPQRWALTITC-JSGCOSHPSA-N 1 2 267.373 1.318 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1=Cc2ccccc2OC1 ZINC000566772956 334663727 /nfs/dbraw/zinc/66/37/27/334663727.db2.gz QLNRBAWVQDGOIV-MRXNPFEDSA-N 1 2 285.347 1.422 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000568831756 334842503 /nfs/dbraw/zinc/84/25/03/334842503.db2.gz UWGNSSKPDKGJRZ-OLZOCXBDSA-N 1 2 275.352 1.355 20 30 CDEDLO CCc1ncc(C(=O)N[C@](C)(C#N)C[NH+](C)C)s1 ZINC000568889428 334845445 /nfs/dbraw/zinc/84/54/45/334845445.db2.gz UAGUUDOBQKZISI-GFCCVEGCSA-N 1 2 266.370 1.279 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1CCSCC1 ZINC000576994053 335275215 /nfs/dbraw/zinc/27/52/15/335275215.db2.gz ICCUMCXNJMZRSF-LBPRGKRZSA-N 1 2 255.387 1.090 20 30 CDEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)CC(C)(C)CC ZINC001754968126 1159493298 /nfs/dbraw/zinc/49/32/98/1159493298.db2.gz XPCKXWNTEKGVGA-CQSZACIVSA-N 1 2 280.412 1.653 20 30 CDEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)CC(C)(C)CC ZINC001754968126 1159493300 /nfs/dbraw/zinc/49/33/00/1159493300.db2.gz XPCKXWNTEKGVGA-CQSZACIVSA-N 1 2 280.412 1.653 20 30 CDEDLO C=C[C@@H](O)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000668414330 482429255 /nfs/dbraw/zinc/42/92/55/482429255.db2.gz ACRSBIFMYKCRNU-CQSZACIVSA-N 1 2 289.379 1.625 20 30 CDEDLO C=C[C@H](C)Nc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000665706106 482556322 /nfs/dbraw/zinc/55/63/22/482556322.db2.gz RPQVHJRCCQHTGO-TUAOUCFPSA-N 1 2 262.357 1.670 20 30 CDEDLO C=C[C@H](C)Nc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000665706106 482556326 /nfs/dbraw/zinc/55/63/26/482556326.db2.gz RPQVHJRCCQHTGO-TUAOUCFPSA-N 1 2 262.357 1.670 20 30 CDEDLO COCC#CCN1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000677480547 482683465 /nfs/dbraw/zinc/68/34/65/482683465.db2.gz ZIVAUSXILPDOAL-UHFFFAOYSA-N 1 2 277.368 1.059 20 30 CDEDLO COCC#CC[NH+]1CCN(Cc2c(C)noc2C)CC1 ZINC000677480547 482683468 /nfs/dbraw/zinc/68/34/68/482683468.db2.gz ZIVAUSXILPDOAL-UHFFFAOYSA-N 1 2 277.368 1.059 20 30 CDEDLO C=CCCC(=O)NCC[NH+]1CCN(C(=O)CCC=C)CC1 ZINC000673539009 482776621 /nfs/dbraw/zinc/77/66/21/482776621.db2.gz AENXEJMQGBEVRM-UHFFFAOYSA-N 1 2 293.411 1.179 20 30 CDEDLO CC[N@H+](CC#CCOC)CC(=O)Nc1c(F)cccc1F ZINC000677817874 482794265 /nfs/dbraw/zinc/79/42/65/482794265.db2.gz VJTQHLYBOJUWMS-UHFFFAOYSA-N 1 2 296.317 1.875 20 30 CDEDLO CC[N@@H+](CC#CCOC)CC(=O)Nc1c(F)cccc1F ZINC000677817874 482794267 /nfs/dbraw/zinc/79/42/67/482794267.db2.gz VJTQHLYBOJUWMS-UHFFFAOYSA-N 1 2 296.317 1.875 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2nn(C)c3ccccc23)C1=O ZINC000684967472 483042831 /nfs/dbraw/zinc/04/28/31/483042831.db2.gz WVENEYFESVLQNP-INIZCTEOSA-N 1 2 298.390 1.792 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2nn(C)c3ccccc23)C1=O ZINC000684967472 483042838 /nfs/dbraw/zinc/04/28/38/483042838.db2.gz WVENEYFESVLQNP-INIZCTEOSA-N 1 2 298.390 1.792 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1nc(-c2ccccn2)no1 ZINC000683040657 483411142 /nfs/dbraw/zinc/41/11/42/483411142.db2.gz CVIINTSWNYZSHB-UHFFFAOYSA-N 1 2 274.324 1.766 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1nc(-c2ccccn2)no1 ZINC000683040657 483411144 /nfs/dbraw/zinc/41/11/44/483411144.db2.gz CVIINTSWNYZSHB-UHFFFAOYSA-N 1 2 274.324 1.766 20 30 CDEDLO Cc1cccn2c(CN3CCOC[C@H]3C#N)c[nH+]c12 ZINC000093456691 1160603414 /nfs/dbraw/zinc/60/34/14/1160603414.db2.gz CGDRVPVQFBKHCH-GFCCVEGCSA-N 1 2 256.309 1.367 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)C(C)C)C1 ZINC001108253289 1161966999 /nfs/dbraw/zinc/96/69/99/1161966999.db2.gz HFHAFQGVXLXXKB-ZFWWWQNUSA-N 1 2 268.401 1.672 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)C(C)C)C1 ZINC001108253289 1161967001 /nfs/dbraw/zinc/96/70/01/1161967001.db2.gz HFHAFQGVXLXXKB-ZFWWWQNUSA-N 1 2 268.401 1.672 20 30 CDEDLO C#C[C@H](C)[NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000184692362 518356645 /nfs/dbraw/zinc/35/66/45/518356645.db2.gz ODLFNQPNKBDVPB-HZMBPMFUSA-N 1 2 260.312 1.757 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@@H](C(=O)NC)C2)c1 ZINC000182435191 519053842 /nfs/dbraw/zinc/05/38/42/519053842.db2.gz CVEBIXDGYYWQOM-OAHLLOKOSA-N 1 2 290.363 1.198 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2CCO[C@@H](C(=O)NC)C2)c1 ZINC000182435191 519053850 /nfs/dbraw/zinc/05/38/50/519053850.db2.gz CVEBIXDGYYWQOM-OAHLLOKOSA-N 1 2 290.363 1.198 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068475052 521235301 /nfs/dbraw/zinc/23/53/01/521235301.db2.gz RVKJRRRWAWOVPW-OLZOCXBDSA-N 1 2 281.400 1.494 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068475052 521235303 /nfs/dbraw/zinc/23/53/03/521235303.db2.gz RVKJRRRWAWOVPW-OLZOCXBDSA-N 1 2 281.400 1.494 20 30 CDEDLO [O-]C(NC1Cc2ccccc2C1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330198528 534764680 /nfs/dbraw/zinc/76/46/80/534764680.db2.gz UERZHGBXHHNUBK-CQSZACIVSA-N 1 2 296.374 1.869 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C1Cc2ccccc2C1 ZINC000330198528 534764684 /nfs/dbraw/zinc/76/46/84/534764684.db2.gz UERZHGBXHHNUBK-CQSZACIVSA-N 1 2 296.374 1.869 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@H](C2CC2)O1 ZINC000366343331 524932751 /nfs/dbraw/zinc/93/27/51/524932751.db2.gz SDWZPIJJRIKLCE-WBMJQRKESA-N 1 2 299.374 1.996 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@H](C2CC2)O1 ZINC000366343331 524932763 /nfs/dbraw/zinc/93/27/63/524932763.db2.gz SDWZPIJJRIKLCE-WBMJQRKESA-N 1 2 299.374 1.996 20 30 CDEDLO N#Cc1ccc(C2=CC[N@H+]([C@@H]3CCOC3=O)CC2)cc1 ZINC000374306049 526605161 /nfs/dbraw/zinc/60/51/61/526605161.db2.gz BIBTZMRZLLTNSH-OAHLLOKOSA-N 1 2 268.316 1.963 20 30 CDEDLO N#Cc1ccc(C2=CC[N@@H+]([C@@H]3CCOC3=O)CC2)cc1 ZINC000374306049 526605163 /nfs/dbraw/zinc/60/51/63/526605163.db2.gz BIBTZMRZLLTNSH-OAHLLOKOSA-N 1 2 268.316 1.963 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000333098773 526778820 /nfs/dbraw/zinc/77/88/20/526778820.db2.gz UUZMLZCFXOVBHV-NFAWXSAZSA-N 1 2 289.379 1.543 20 30 CDEDLO C=CCCC1(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000354586176 527094541 /nfs/dbraw/zinc/09/45/41/527094541.db2.gz OQCBYUXTWNLDDQ-CYBMUJFWSA-N 1 2 266.385 1.570 20 30 CDEDLO CCC[N@H+](CC1(C#N)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000331557601 528014273 /nfs/dbraw/zinc/01/42/73/528014273.db2.gz WRGNFKWWVHOYRY-NSHDSACASA-N 1 2 256.371 1.189 20 30 CDEDLO CCC[N@@H+](CC1(C#N)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000331557601 528014276 /nfs/dbraw/zinc/01/42/76/528014276.db2.gz WRGNFKWWVHOYRY-NSHDSACASA-N 1 2 256.371 1.189 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)C[C@@H]2CCc3ccccc3C2)CC1 ZINC000732577353 575091851 /nfs/dbraw/zinc/09/18/51/575091851.db2.gz FIMQCPDIDDQHRB-MRXNPFEDSA-N 1 2 296.414 1.959 20 30 CDEDLO C[C@]1(C/[NH+]=C/c2ccc(O)c(O)c2O)CCOC1 ZINC000733081301 575100919 /nfs/dbraw/zinc/10/09/19/575100919.db2.gz UPCDLRWQSSVOPU-IAEDUXEVSA-N 1 2 251.282 1.649 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)C[C@@H](C)c2cccnc2)CC1 ZINC000734435429 575346308 /nfs/dbraw/zinc/34/63/08/575346308.db2.gz IVHBFFOKMKBYRI-CQSZACIVSA-N 1 2 271.364 1.353 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000769645042 575367016 /nfs/dbraw/zinc/36/70/16/575367016.db2.gz RBXASRCMTZTUOF-NSHDSACASA-N 1 2 254.293 1.361 20 30 CDEDLO N#Cc1c(Cl)nsc1N1CC(n2cc[nH+]c2)C1 ZINC000771237385 575561049 /nfs/dbraw/zinc/56/10/49/575561049.db2.gz UCWMPQJYTNUMGU-UHFFFAOYSA-N 1 2 265.729 1.926 20 30 CDEDLO S=C(NCC[NH+]1CCOCC1)NN=C1CC2(CCC2)C1 ZINC000772834274 575757861 /nfs/dbraw/zinc/75/78/61/575757861.db2.gz YVKMXCUYIOANIZ-UHFFFAOYSA-N 1 2 296.440 1.103 20 30 CDEDLO FC(F)C1CC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)C1 ZINC000766026078 576072439 /nfs/dbraw/zinc/07/24/39/576072439.db2.gz ZFMMFZDANIROAG-IVNRZZHDSA-N 1 2 256.300 1.878 20 30 CDEDLO COc1ccc(O)c(/C=[NH+]/CCc2ccn(C)n2)c1 ZINC000761016144 576535123 /nfs/dbraw/zinc/53/51/23/576535123.db2.gz UGJHHFCFOBBSEF-XNTDXEJSSA-N 1 2 259.309 1.796 20 30 CDEDLO C#CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000763948614 576767704 /nfs/dbraw/zinc/76/77/04/576767704.db2.gz BSTBUFYGASICIM-UHFFFAOYSA-N 1 2 253.305 1.933 20 30 CDEDLO C#CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000763948614 576767705 /nfs/dbraw/zinc/76/77/05/576767705.db2.gz BSTBUFYGASICIM-UHFFFAOYSA-N 1 2 253.305 1.933 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]Nc1ccccc1F ZINC000747629073 576877481 /nfs/dbraw/zinc/87/74/81/576877481.db2.gz ARDJCAUNMBPKGQ-UHFFFAOYSA-N 1 2 261.260 1.653 20 30 CDEDLO C#CCNC(=O)C[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000755099677 576930290 /nfs/dbraw/zinc/93/02/90/576930290.db2.gz DMMOMGKXTQYTMP-GFCCVEGCSA-N 1 2 298.346 1.060 20 30 CDEDLO Cc1[nH]c[nH+]c1C=NNC(=S)Nc1cccnc1 ZINC000755507592 576947362 /nfs/dbraw/zinc/94/73/62/576947362.db2.gz FMIYQFWTQXZMRJ-UHFFFAOYSA-N 1 2 260.326 1.434 20 30 CDEDLO Cc1[nH]c[nH+]c1C=NN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000755541850 576949310 /nfs/dbraw/zinc/94/93/10/576949310.db2.gz IHMJLNQMWKZVFY-HNNXBMFYSA-N 1 2 297.318 1.519 20 30 CDEDLO CC(C)C[N@H+](CCC#N)CC(=O)NCc1ccco1 ZINC000755670635 576954624 /nfs/dbraw/zinc/95/46/24/576954624.db2.gz KVGOYXWPMQDCBL-UHFFFAOYSA-N 1 2 263.341 1.767 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)CC(=O)NCc1ccco1 ZINC000755670635 576954626 /nfs/dbraw/zinc/95/46/26/576954626.db2.gz KVGOYXWPMQDCBL-UHFFFAOYSA-N 1 2 263.341 1.767 20 30 CDEDLO Cc1[nH+]c[nH]c1CN=Nc1nc(-c2ccncc2)no1 ZINC000755677794 576955013 /nfs/dbraw/zinc/95/50/13/576955013.db2.gz ADRQZWCVYMMCJY-UHFFFAOYSA-N 1 2 269.268 1.609 20 30 CDEDLO N#Cc1c[nH]c(C(=O)OCc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000750367643 576985588 /nfs/dbraw/zinc/98/55/88/576985588.db2.gz LBAWMHIGDDNYAS-UHFFFAOYSA-N 1 2 293.286 1.824 20 30 CDEDLO Cc1ccn(C[N@H+](C)CCc2nccs2)c(=O)c1C#N ZINC000758243329 577089703 /nfs/dbraw/zinc/08/97/03/577089703.db2.gz QALJKRQFNMIXGU-UHFFFAOYSA-N 1 2 288.376 1.617 20 30 CDEDLO Cc1ccn(C[N@@H+](C)CCc2nccs2)c(=O)c1C#N ZINC000758243329 577089705 /nfs/dbraw/zinc/08/97/05/577089705.db2.gz QALJKRQFNMIXGU-UHFFFAOYSA-N 1 2 288.376 1.617 20 30 CDEDLO N#Cc1cccn(C[NH+]2CCC([C@@H]3CCOC3)CC2)c1=O ZINC000758247432 577090421 /nfs/dbraw/zinc/09/04/21/577090421.db2.gz IDOXYBAANYGDDA-OAHLLOKOSA-N 1 2 287.363 1.426 20 30 CDEDLO Cc1ccc(S(=O)(=O)NN=C2C[N@@H+](C)C[C@H]2C)cc1 ZINC000752156273 577090788 /nfs/dbraw/zinc/09/07/88/577090788.db2.gz ZLZXGRPWNKLZNC-LLVKDONJSA-N 1 2 281.381 1.211 20 30 CDEDLO Cc1ccc(S(=O)(=O)NN=C2C[N@H+](C)C[C@H]2C)cc1 ZINC000752156273 577090790 /nfs/dbraw/zinc/09/07/90/577090790.db2.gz ZLZXGRPWNKLZNC-LLVKDONJSA-N 1 2 281.381 1.211 20 30 CDEDLO C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cncc(C(=O)[O-])c1 ZINC001602713726 1175370732 /nfs/dbraw/zinc/37/07/32/1175370732.db2.gz QNUGVMYZIFTMCY-GFCCVEGCSA-N 1 2 275.352 1.386 20 30 CDEDLO C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cncc(C(=O)[O-])c1 ZINC001602713726 1175370735 /nfs/dbraw/zinc/37/07/35/1175370735.db2.gz QNUGVMYZIFTMCY-GFCCVEGCSA-N 1 2 275.352 1.386 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(C)nn2CC)C1 ZINC000952332653 612991677 /nfs/dbraw/zinc/99/16/77/612991677.db2.gz LIDNRUUKZHDWHG-UHFFFAOYSA-N 1 2 288.395 1.381 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(C(F)F)n[nH]2)C1 ZINC000951726138 612991734 /nfs/dbraw/zinc/99/17/34/612991734.db2.gz QLPZRRLSVZXZMF-UHFFFAOYSA-N 1 2 296.321 1.517 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2c(C)[nH]nc2Cl)C1 ZINC000950484156 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C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC3CCC3)C2)C1 ZINC000972317101 613211057 /nfs/dbraw/zinc/21/10/57/613211057.db2.gz QQFSGJDECZLUJJ-INIZCTEOSA-N 1 2 276.380 1.113 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc(C)c3)C2)C1 ZINC000972241089 613212964 /nfs/dbraw/zinc/21/29/64/613212964.db2.gz CJTUKHJSTIZEBN-GOSISDBHSA-N 1 2 298.386 1.545 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc(C)c3)C2)C1 ZINC000972241089 613212965 /nfs/dbraw/zinc/21/29/65/613212965.db2.gz CJTUKHJSTIZEBN-GOSISDBHSA-N 1 2 298.386 1.545 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2nc(Cl)cs2)C1 ZINC000968015162 613255460 /nfs/dbraw/zinc/25/54/60/613255460.db2.gz INSXFIPQBCYFEV-VHSXEESVSA-N 1 2 297.811 1.870 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2nc(Cl)cs2)C1 ZINC000968015162 613255462 /nfs/dbraw/zinc/25/54/62/613255462.db2.gz INSXFIPQBCYFEV-VHSXEESVSA-N 1 2 297.811 1.870 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CO[C@@H](C)C2)C1 ZINC000950667821 613294905 /nfs/dbraw/zinc/29/49/05/613294905.db2.gz 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N#Cc1ccc(CCNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001645356891 1167396112 /nfs/dbraw/zinc/39/61/12/1167396112.db2.gz RYKYLBZDNJFVFB-UHFFFAOYSA-N 1 2 254.293 1.183 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC001567765918 1168957426 /nfs/dbraw/zinc/95/74/26/1168957426.db2.gz MGDGDFPKXVCPKP-CYBMUJFWSA-N 1 2 293.411 1.058 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001567765918 1168957432 /nfs/dbraw/zinc/95/74/32/1168957432.db2.gz MGDGDFPKXVCPKP-CYBMUJFWSA-N 1 2 293.411 1.058 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[C@@H]([NH2+]Cc1c[nH]nn1)C(C)C ZINC001575064971 1171100886 /nfs/dbraw/zinc/10/08/86/1171100886.db2.gz CNOPFJVHDDWMBU-CYBMUJFWSA-N 1 2 293.415 1.637 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[C@@H]([NH2+]Cc1cn[nH]n1)C(C)C ZINC001575064971 1171100889 /nfs/dbraw/zinc/10/08/89/1171100889.db2.gz CNOPFJVHDDWMBU-CYBMUJFWSA-N 1 2 293.415 1.637 20 30 CDEDLO C=CC[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC001602835083 1175424234 /nfs/dbraw/zinc/42/42/34/1175424234.db2.gz JHKHXQXTTAVAKR-RYUDHWBXSA-N 1 2 263.341 1.629 20 30 CDEDLO C=CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC001602835083 1175424236 /nfs/dbraw/zinc/42/42/36/1175424236.db2.gz JHKHXQXTTAVAKR-RYUDHWBXSA-N 1 2 263.341 1.629 20 30 CDEDLO N#CCSCC(=O)N[C@@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC001713058529 1178335002 /nfs/dbraw/zinc/33/50/02/1178335002.db2.gz RJOFFPPZJQCRJH-JRBALWBOSA-N 1 2 287.816 1.576 20 30 CDEDLO N#CCSCC(=O)N[C@@H]1CCC[N@H+](C/C=C/Cl)C1 ZINC001713058529 1178335009 /nfs/dbraw/zinc/33/50/09/1178335009.db2.gz RJOFFPPZJQCRJH-JRBALWBOSA-N 1 2 287.816 1.576 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](CC)OC)C1 ZINC001713892812 1178824607 /nfs/dbraw/zinc/82/46/07/1178824607.db2.gz KIDPOHJQDTURDQ-NSHDSACASA-N 1 2 260.765 1.212 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)CC)C1 ZINC001714919025 1179452486 /nfs/dbraw/zinc/45/24/86/1179452486.db2.gz CCKYRJOCAVCFNA-UONOGXRCSA-N 1 2 295.427 1.448 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)CC)C1 ZINC001714919025 1179452490 /nfs/dbraw/zinc/45/24/90/1179452490.db2.gz CCKYRJOCAVCFNA-UONOGXRCSA-N 1 2 295.427 1.448 20 30 CDEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](C#N)C2)C1 ZINC000261239723 1181488279 /nfs/dbraw/zinc/48/82/79/1181488279.db2.gz VFQBXDZBPZSNHV-RYUDHWBXSA-N 1 2 265.357 1.841 20 30 CDEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@@H](C#N)C2)C1 ZINC000261239723 1181488284 /nfs/dbraw/zinc/48/82/84/1181488284.db2.gz VFQBXDZBPZSNHV-RYUDHWBXSA-N 1 2 265.357 1.841 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](OC)C(C)C ZINC001753063014 1185030666 /nfs/dbraw/zinc/03/06/66/1185030666.db2.gz FELTXFLQIRFGTH-NSHDSACASA-N 1 2 262.781 1.458 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](OC)C(C)C ZINC001753063014 1185030672 /nfs/dbraw/zinc/03/06/72/1185030672.db2.gz FELTXFLQIRFGTH-NSHDSACASA-N 1 2 262.781 1.458 20 30 CDEDLO C#CC[NH+]1CCN(CCN(C)C(=O)C[C@H]2C=CCC2)CC1 ZINC001753343792 1185163309 /nfs/dbraw/zinc/16/33/09/1185163309.db2.gz HRBTWFAGRAJTKE-INIZCTEOSA-N 1 2 289.423 1.052 20 30 CDEDLO C=CCC1(C(=O)N(C)C2C[NH+](C[C@H](C)O)C2)CCC1 ZINC001754581351 1185673543 /nfs/dbraw/zinc/67/35/43/1185673543.db2.gz ZMGFAILLEGKAAU-LBPRGKRZSA-N 1 2 266.385 1.256 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[C@@H](C)OC)O2 ZINC001755052904 1185799982 /nfs/dbraw/zinc/79/99/82/1185799982.db2.gz KGGWEGNOEJROEK-KGLIPLIRSA-N 1 2 296.411 1.337 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](CCC)OC)CO2 ZINC001755062927 1185804626 /nfs/dbraw/zinc/80/46/26/1185804626.db2.gz HRXIZGHPGAGMAS-ZIAGYGMSSA-N 1 2 296.411 1.337 20 30 CDEDLO C=C(C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1csnn1 ZINC001755238979 1185871622 /nfs/dbraw/zinc/87/16/22/1185871622.db2.gz ZGMFOWLVWZGVLO-WDEREUQCSA-N 1 2 282.413 1.877 20 30 CDEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)CC[C@H](C)CC)C1 ZINC001755337766 1185922670 /nfs/dbraw/zinc/92/26/70/1185922670.db2.gz SUKZTSMWTABGKV-CQSZACIVSA-N 1 2 282.428 1.942 20 30 CDEDLO Cc1nnc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C#CC(C)C)C2)o1 ZINC001755679617 1186035289 /nfs/dbraw/zinc/03/52/89/1186035289.db2.gz ZPQKAWVUVLCVIN-WCQYABFASA-N 1 2 290.367 1.116 20 30 CDEDLO CC(C)C#CC(=O)N1C[C@@H]([NH2+]Cc2csnn2)C[C@H]1C ZINC001755678811 1186035925 /nfs/dbraw/zinc/03/59/25/1186035925.db2.gz OWJZOMMJLNIATJ-NEPJUHHUSA-N 1 2 292.408 1.277 20 30 CDEDLO C#CC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC000776609106 777539329 /nfs/dbraw/zinc/53/93/29/777539329.db2.gz JUIODXPSIWVDFW-RYUDHWBXSA-N 1 2 252.358 1.949 20 30 CDEDLO C#CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC000776609106 777539353 /nfs/dbraw/zinc/53/93/53/777539353.db2.gz JUIODXPSIWVDFW-RYUDHWBXSA-N 1 2 252.358 1.949 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2nc(CC)oc2C)C1 ZINC001044040219 777730864 /nfs/dbraw/zinc/73/08/64/777730864.db2.gz GSTLICVUSXWMQR-UHFFFAOYSA-N 1 2 275.352 1.325 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2ccncc2n1 ZINC001038527723 777802354 /nfs/dbraw/zinc/80/23/54/777802354.db2.gz YRTITPBWXGKJKU-CQSZACIVSA-N 1 2 294.358 1.457 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2ccncc2n1 ZINC001038527723 777802355 /nfs/dbraw/zinc/80/23/55/777802355.db2.gz YRTITPBWXGKJKU-CQSZACIVSA-N 1 2 294.358 1.457 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2ccns2)CC[C@H]1C ZINC001071543728 777841436 /nfs/dbraw/zinc/84/14/36/777841436.db2.gz NCJCHDMMUPBILM-GHMZBOCLSA-N 1 2 263.366 1.359 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2ccns2)CC[C@H]1C ZINC001071543728 777841437 /nfs/dbraw/zinc/84/14/37/777841437.db2.gz NCJCHDMMUPBILM-GHMZBOCLSA-N 1 2 263.366 1.359 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC3(F)F)cc2C1 ZINC001054264087 773773384 /nfs/dbraw/zinc/77/33/84/773773384.db2.gz SHILGGSHIYNEOI-AWEZNQCLSA-N 1 2 290.313 1.907 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC3(F)F)cc2C1 ZINC001054264087 773773396 /nfs/dbraw/zinc/77/33/96/773773396.db2.gz SHILGGSHIYNEOI-AWEZNQCLSA-N 1 2 290.313 1.907 20 30 CDEDLO C=CC[N@H+](CN1CCC(C)(C)C1=O)[C@@H](C)COC ZINC000853533997 773775783 /nfs/dbraw/zinc/77/57/83/773775783.db2.gz FWIIAHGYFNSBMV-LBPRGKRZSA-N 1 2 254.374 1.725 20 30 CDEDLO C=CC[N@@H+](CN1CCC(C)(C)C1=O)[C@@H](C)COC ZINC000853533997 773775790 /nfs/dbraw/zinc/77/57/90/773775790.db2.gz FWIIAHGYFNSBMV-LBPRGKRZSA-N 1 2 254.374 1.725 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccnn2CCC)C1 ZINC001030378343 773820084 /nfs/dbraw/zinc/82/00/84/773820084.db2.gz OTFBUBCRUBBJLB-UHFFFAOYSA-N 1 2 262.357 1.283 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000356065964 773833449 /nfs/dbraw/zinc/83/34/49/773833449.db2.gz USQPRNIPHSNPMU-DOMZBBRYSA-N 1 2 277.368 1.453 20 30 CDEDLO N#CCN1CC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001038867944 773835489 /nfs/dbraw/zinc/83/54/89/773835489.db2.gz WUWXEDWHTPLNOT-OAHLLOKOSA-N 1 2 295.346 1.200 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1occc1C ZINC001032615055 773836045 /nfs/dbraw/zinc/83/60/45/773836045.db2.gz FFGUOWSINCATGG-STQMWFEESA-N 1 2 258.321 1.049 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1occc1C ZINC001032615055 773836052 /nfs/dbraw/zinc/83/60/52/773836052.db2.gz FFGUOWSINCATGG-STQMWFEESA-N 1 2 258.321 1.049 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NCC1(C#N)CCC1 ZINC000875674987 773842856 /nfs/dbraw/zinc/84/28/56/773842856.db2.gz QPQOZXUJDQKCCK-ZDUSSCGKSA-N 1 2 294.399 1.090 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)NCC1(C#N)CCC1 ZINC000875674987 773842861 /nfs/dbraw/zinc/84/28/61/773842861.db2.gz QPQOZXUJDQKCCK-ZDUSSCGKSA-N 1 2 294.399 1.090 20 30 CDEDLO Cc1ncoc1C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038173212 773849511 /nfs/dbraw/zinc/84/95/11/773849511.db2.gz MPILLOSMXXKLDG-GFCCVEGCSA-N 1 2 299.334 1.187 20 30 CDEDLO Cc1ncoc1C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038173212 773849513 /nfs/dbraw/zinc/84/95/13/773849513.db2.gz MPILLOSMXXKLDG-GFCCVEGCSA-N 1 2 299.334 1.187 20 30 CDEDLO C=CCN1CC[C@@H](N(C)c2cc(NCCC)[nH+]cn2)C1=O ZINC000865754252 773885422 /nfs/dbraw/zinc/88/54/22/773885422.db2.gz VDHUWMCURQTBMI-GFCCVEGCSA-N 1 2 289.383 1.522 20 30 CDEDLO C=CCN1CC[C@@H](N(C)c2cc(NCCC)nc[nH+]2)C1=O ZINC000865754252 773885425 /nfs/dbraw/zinc/88/54/25/773885425.db2.gz VDHUWMCURQTBMI-GFCCVEGCSA-N 1 2 289.383 1.522 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C2(C)CCC(=O)CC2)C1 ZINC000923558027 773894776 /nfs/dbraw/zinc/89/47/76/773894776.db2.gz VBHMHOVZRZOEOA-CYBMUJFWSA-N 1 2 276.380 1.350 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C2(C)CCC(=O)CC2)C1 ZINC000923558027 773894777 /nfs/dbraw/zinc/89/47/77/773894777.db2.gz VBHMHOVZRZOEOA-CYBMUJFWSA-N 1 2 276.380 1.350 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ncc[nH]2)CC[C@@H]1C ZINC001071496965 773899846 /nfs/dbraw/zinc/89/98/46/773899846.db2.gz ALRBMMOLALVRED-QWRGUYRKSA-N 1 2 282.775 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ncc[nH]2)CC[C@@H]1C ZINC001071496965 773899848 /nfs/dbraw/zinc/89/98/48/773899848.db2.gz ALRBMMOLALVRED-QWRGUYRKSA-N 1 2 282.775 1.745 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000853620710 773934437 /nfs/dbraw/zinc/93/44/37/773934437.db2.gz ATEQCHPAZYRMDN-UHFFFAOYSA-N 1 2 266.301 1.029 20 30 CDEDLO C#CCC[N@H+](CCOC)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000853620710 773934446 /nfs/dbraw/zinc/93/44/46/773934446.db2.gz ATEQCHPAZYRMDN-UHFFFAOYSA-N 1 2 266.301 1.029 20 30 CDEDLO N#CCN1CCC(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000932216713 773968959 /nfs/dbraw/zinc/96/89/59/773968959.db2.gz DFXRGBFJYBLHEO-UHFFFAOYSA-N 1 2 283.335 1.281 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc[nH]c1 ZINC001054041386 773998316 /nfs/dbraw/zinc/99/83/16/773998316.db2.gz JSIAOTDTSMFRLO-QGZVFWFLSA-N 1 2 293.370 1.805 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc[nH]c1 ZINC001054041386 773998329 /nfs/dbraw/zinc/99/83/29/773998329.db2.gz JSIAOTDTSMFRLO-QGZVFWFLSA-N 1 2 293.370 1.805 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ncc[nH]2)C1 ZINC001033066501 774003382 /nfs/dbraw/zinc/00/33/82/774003382.db2.gz AIJVYDXYOPKBBZ-SNVBAGLBSA-N 1 2 268.748 1.309 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ncc[nH]2)C1 ZINC001033066501 774003392 /nfs/dbraw/zinc/00/33/92/774003392.db2.gz AIJVYDXYOPKBBZ-SNVBAGLBSA-N 1 2 268.748 1.309 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ncn(C(C)(C)C)n1 ZINC001038707561 774009225 /nfs/dbraw/zinc/00/92/25/774009225.db2.gz YGZWZRNKRKMFBZ-LLVKDONJSA-N 1 2 277.372 1.023 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncn(C(C)(C)C)n1 ZINC001038707561 774009232 /nfs/dbraw/zinc/00/92/32/774009232.db2.gz YGZWZRNKRKMFBZ-LLVKDONJSA-N 1 2 277.372 1.023 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001030992708 774090902 /nfs/dbraw/zinc/09/09/02/774090902.db2.gz XIAWSEDZSHOIIR-LSDHHAIUSA-N 1 2 269.348 1.009 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ocnc1C1CC1 ZINC001038697358 774106287 /nfs/dbraw/zinc/10/62/87/774106287.db2.gz ODWKTJHGVIIOAV-LBPRGKRZSA-N 1 2 273.336 1.379 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ocnc1C1CC1 ZINC001038697358 774106297 /nfs/dbraw/zinc/10/62/97/774106297.db2.gz ODWKTJHGVIIOAV-LBPRGKRZSA-N 1 2 273.336 1.379 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc(C)ccc1F ZINC001032745444 774116694 /nfs/dbraw/zinc/11/66/94/774116694.db2.gz YAZZIBYRTCDUSZ-GJZGRUSLSA-N 1 2 286.350 1.595 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc(C)ccc1F ZINC001032745444 774116698 /nfs/dbraw/zinc/11/66/98/774116698.db2.gz YAZZIBYRTCDUSZ-GJZGRUSLSA-N 1 2 286.350 1.595 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001050978126 774143293 /nfs/dbraw/zinc/14/32/93/774143293.db2.gz JYJDGMOLWOKWSR-GJZGRUSLSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001050978126 774143302 /nfs/dbraw/zinc/14/33/02/774143302.db2.gz JYJDGMOLWOKWSR-GJZGRUSLSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC(C)(C)CCC1(C)C ZINC000884430084 774184530 /nfs/dbraw/zinc/18/45/30/774184530.db2.gz DIAIUCGUJHBTNM-LBPRGKRZSA-N 1 2 296.411 1.860 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)Cc2nccs2)C1 ZINC000971217444 774237139 /nfs/dbraw/zinc/23/71/39/774237139.db2.gz FBISOMJFRYDMPN-QWRGUYRKSA-N 1 2 278.381 1.335 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2nccs2)C1 ZINC000971217444 774237123 /nfs/dbraw/zinc/23/71/23/774237123.db2.gz FBISOMJFRYDMPN-QWRGUYRKSA-N 1 2 278.381 1.335 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCO2)C1 ZINC001032893116 774285449 /nfs/dbraw/zinc/28/54/49/774285449.db2.gz NDGLFASDMCZDFQ-VXGBXAGGSA-N 1 2 272.776 1.451 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCO2)C1 ZINC001032893116 774285450 /nfs/dbraw/zinc/28/54/50/774285450.db2.gz NDGLFASDMCZDFQ-VXGBXAGGSA-N 1 2 272.776 1.451 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc(Cl)no1 ZINC001038948096 774346937 /nfs/dbraw/zinc/34/69/37/774346937.db2.gz RDMOLJYAOWQMPG-QMMMGPOBSA-N 1 2 255.705 1.318 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cl)no1 ZINC001038948096 774346947 /nfs/dbraw/zinc/34/69/47/774346947.db2.gz RDMOLJYAOWQMPG-QMMMGPOBSA-N 1 2 255.705 1.318 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1nccs1)C2 ZINC001072552643 774376236 /nfs/dbraw/zinc/37/62/36/774376236.db2.gz RCSDTMMAHNQUNW-LLVKDONJSA-N 1 2 290.392 1.337 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1nccs1)C2 ZINC001072552643 774376241 /nfs/dbraw/zinc/37/62/41/774376241.db2.gz RCSDTMMAHNQUNW-LLVKDONJSA-N 1 2 290.392 1.337 20 30 CDEDLO C=CCOc1cccnc1C(=O)NC1C[NH+](CC)C1 ZINC001031231924 774380918 /nfs/dbraw/zinc/38/09/18/774380918.db2.gz QUSWHGOORPEEKM-UHFFFAOYSA-N 1 2 261.325 1.080 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2ncc[nH]2)CC[C@@H]1C ZINC001071934493 774473718 /nfs/dbraw/zinc/47/37/18/774473718.db2.gz NGQXFUROMVWMCU-RYUDHWBXSA-N 1 2 296.802 1.674 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2ncc[nH]2)CC[C@@H]1C ZINC001071934493 774473724 /nfs/dbraw/zinc/47/37/24/774473724.db2.gz NGQXFUROMVWMCU-RYUDHWBXSA-N 1 2 296.802 1.674 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)ccn1 ZINC001032418465 774494138 /nfs/dbraw/zinc/49/41/38/774494138.db2.gz CSNCTUHWEKWZAA-KBPBESRZSA-N 1 2 269.348 1.176 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)ccn1 ZINC001032418465 774494144 /nfs/dbraw/zinc/49/41/44/774494144.db2.gz CSNCTUHWEKWZAA-KBPBESRZSA-N 1 2 269.348 1.176 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC23CCC3)C1 ZINC001035531821 774560255 /nfs/dbraw/zinc/56/02/55/774560255.db2.gz UJDSLAJZNPUGQE-UONOGXRCSA-N 1 2 278.396 1.570 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC23CCC3)C1 ZINC001035531821 774560272 /nfs/dbraw/zinc/56/02/72/774560272.db2.gz UJDSLAJZNPUGQE-UONOGXRCSA-N 1 2 278.396 1.570 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(OC(C)C)n1 ZINC001038867345 774574578 /nfs/dbraw/zinc/57/45/78/774574578.db2.gz KCXIRQSTEQQHEY-ZDUSSCGKSA-N 1 2 287.363 1.306 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(OC(C)C)n1 ZINC001038867345 774574609 /nfs/dbraw/zinc/57/46/09/774574609.db2.gz KCXIRQSTEQQHEY-ZDUSSCGKSA-N 1 2 287.363 1.306 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1CCC(C(C)C)CC1 ZINC000884163741 774589312 /nfs/dbraw/zinc/58/93/12/774589312.db2.gz OSDXGWIAAQYULA-RUXDESIVSA-N 1 2 296.411 1.764 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(CC)n1 ZINC001018025683 774595256 /nfs/dbraw/zinc/59/52/56/774595256.db2.gz JPAOIDRFBIPPNA-BETUJISGSA-N 1 2 274.368 1.378 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(CC)n1 ZINC001018025683 774595281 /nfs/dbraw/zinc/59/52/81/774595281.db2.gz JPAOIDRFBIPPNA-BETUJISGSA-N 1 2 274.368 1.378 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCc2cnccn2)c1 ZINC000780313676 774611834 /nfs/dbraw/zinc/61/18/34/774611834.db2.gz QWDNNMRRJFFIQE-UHFFFAOYSA-N 1 2 294.358 1.571 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCc2cnccn2)c1 ZINC000780313676 774611859 /nfs/dbraw/zinc/61/18/59/774611859.db2.gz QWDNNMRRJFFIQE-UHFFFAOYSA-N 1 2 294.358 1.571 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3OCC[C@H]3C)[C@@H]2C1 ZINC001076256319 774646152 /nfs/dbraw/zinc/64/61/52/774646152.db2.gz UPLLLXJKKCZDNK-CABNGKKXSA-N 1 2 298.814 1.697 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3OCC[C@H]3C)[C@@H]2C1 ZINC001076256319 774646163 /nfs/dbraw/zinc/64/61/63/774646163.db2.gz UPLLLXJKKCZDNK-CABNGKKXSA-N 1 2 298.814 1.697 20 30 CDEDLO C[C@H](C#N)OCC[N@@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879766559 774703971 /nfs/dbraw/zinc/70/39/71/774703971.db2.gz OILMUTFOXZUHEQ-KOLCDFICSA-N 1 2 293.289 1.058 20 30 CDEDLO C[C@H](C#N)OCC[N@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879766559 774703981 /nfs/dbraw/zinc/70/39/81/774703981.db2.gz OILMUTFOXZUHEQ-KOLCDFICSA-N 1 2 293.289 1.058 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[C@@H]1CC=CCC1 ZINC000884436033 774745525 /nfs/dbraw/zinc/74/55/25/774745525.db2.gz SAFPTFASIXLNSJ-OLZOCXBDSA-N 1 2 280.368 1.296 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cc1C ZINC001032744695 774806483 /nfs/dbraw/zinc/80/64/83/774806483.db2.gz KBEHYMLRSGEBPM-KBPBESRZSA-N 1 2 272.323 1.666 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cc1C ZINC001032744695 774806486 /nfs/dbraw/zinc/80/64/86/774806486.db2.gz KBEHYMLRSGEBPM-KBPBESRZSA-N 1 2 272.323 1.666 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2CCC=C)cc1 ZINC001051063069 774810865 /nfs/dbraw/zinc/81/08/65/774810865.db2.gz RBECUZAZOCCTCM-KRWDZBQOSA-N 1 2 298.386 1.675 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2CCC=C)cc1 ZINC001051063069 774810867 /nfs/dbraw/zinc/81/08/67/774810867.db2.gz RBECUZAZOCCTCM-KRWDZBQOSA-N 1 2 298.386 1.675 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC001038480381 774842035 /nfs/dbraw/zinc/84/20/35/774842035.db2.gz XLJVZJBCKRYXKL-LBPRGKRZSA-N 1 2 297.358 1.518 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC001038480381 774842036 /nfs/dbraw/zinc/84/20/36/774842036.db2.gz XLJVZJBCKRYXKL-LBPRGKRZSA-N 1 2 297.358 1.518 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2ncc(Cl)s2)C1 ZINC001033258976 774846332 /nfs/dbraw/zinc/84/63/32/774846332.db2.gz DAIDFSTZXBBGAX-JTQLQIEISA-N 1 2 297.811 1.966 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2ncc(Cl)s2)C1 ZINC001033258976 774846333 /nfs/dbraw/zinc/84/63/33/774846333.db2.gz DAIDFSTZXBBGAX-JTQLQIEISA-N 1 2 297.811 1.966 20 30 CDEDLO C[C@]1(C#N)CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CCO1 ZINC000887680620 774850848 /nfs/dbraw/zinc/85/08/48/774850848.db2.gz JRYRHRZWHGWUBH-HNNXBMFYSA-N 1 2 297.318 1.022 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccn(C)n1 ZINC000960501480 774852934 /nfs/dbraw/zinc/85/29/34/774852934.db2.gz KEXBGZPOOJFRQY-GXTWGEPZSA-N 1 2 289.383 1.003 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccn(C)n1 ZINC000960501480 774852937 /nfs/dbraw/zinc/85/29/37/774852937.db2.gz KEXBGZPOOJFRQY-GXTWGEPZSA-N 1 2 289.383 1.003 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001050868817 774870412 /nfs/dbraw/zinc/87/04/12/774870412.db2.gz NWOVIFQNWWOOBO-CABCVRRESA-N 1 2 296.411 1.339 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001050868817 774870414 /nfs/dbraw/zinc/87/04/14/774870414.db2.gz NWOVIFQNWWOOBO-CABCVRRESA-N 1 2 296.411 1.339 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2CC3(CC3)C2)C1 ZINC001035501434 774870622 /nfs/dbraw/zinc/87/06/22/774870622.db2.gz JBMHZRHZYDSLON-CYBMUJFWSA-N 1 2 264.369 1.180 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C2CC3(CC3)C2)C1 ZINC001035501434 774870623 /nfs/dbraw/zinc/87/06/23/774870623.db2.gz JBMHZRHZYDSLON-CYBMUJFWSA-N 1 2 264.369 1.180 20 30 CDEDLO CC(C)S(=O)(=O)CCCO[NH+]=C(N)Cc1cccnc1 ZINC000092915511 774873442 /nfs/dbraw/zinc/87/34/42/774873442.db2.gz CSQRQNAFUMGOSM-UHFFFAOYSA-N 1 2 299.396 1.126 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(F)cccc1F ZINC001038954802 774875246 /nfs/dbraw/zinc/87/52/46/774875246.db2.gz VBKIYEWZWHCDCW-NSHDSACASA-N 1 2 278.302 1.792 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(F)cccc1F ZINC001038954802 774875248 /nfs/dbraw/zinc/87/52/48/774875248.db2.gz VBKIYEWZWHCDCW-NSHDSACASA-N 1 2 278.302 1.792 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(F)(F)F ZINC001018198539 775009241 /nfs/dbraw/zinc/00/92/41/775009241.db2.gz GZBGWFDTRUFFGV-PHIMTYICSA-N 1 2 288.313 1.883 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(F)(F)F ZINC001018198539 775009250 /nfs/dbraw/zinc/00/92/50/775009250.db2.gz GZBGWFDTRUFFGV-PHIMTYICSA-N 1 2 288.313 1.883 20 30 CDEDLO C#CCCN1CC[NH+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000851873104 775049025 /nfs/dbraw/zinc/04/90/25/775049025.db2.gz QDELEMHBNVYCBU-HRCADAONSA-N 1 2 289.423 1.075 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1csnc1C ZINC001050881904 775105166 /nfs/dbraw/zinc/10/51/66/775105166.db2.gz JRXFPPUQFASZQR-GFCCVEGCSA-N 1 2 295.408 1.458 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1csnc1C ZINC001050881904 775105197 /nfs/dbraw/zinc/10/51/97/775105197.db2.gz JRXFPPUQFASZQR-GFCCVEGCSA-N 1 2 295.408 1.458 20 30 CDEDLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(OC)c(C#N)c1 ZINC001032237420 775119126 /nfs/dbraw/zinc/11/91/26/775119126.db2.gz FJDWRCFPDDRGRQ-GJZGRUSLSA-N 1 2 299.374 1.762 20 30 CDEDLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(OC)c(C#N)c1 ZINC001032237420 775119140 /nfs/dbraw/zinc/11/91/40/775119140.db2.gz FJDWRCFPDDRGRQ-GJZGRUSLSA-N 1 2 299.374 1.762 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2[nH]nc3ccccc32)C1 ZINC001031339029 775143580 /nfs/dbraw/zinc/14/35/80/775143580.db2.gz APDWKBLJLZGUML-UHFFFAOYSA-N 1 2 270.336 1.553 20 30 CDEDLO C[C@@H]1C[NH+](Cn2nc(CC#N)n(C)c2=S)C[C@H]1C ZINC000794636719 775285003 /nfs/dbraw/zinc/28/50/03/775285003.db2.gz KQGLQCIEURBVLT-NXEZZACHSA-N 1 2 265.386 1.562 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1sccc1COC ZINC001038911350 775302318 /nfs/dbraw/zinc/30/23/18/775302318.db2.gz DJDVRVAKXMRJFY-GFCCVEGCSA-N 1 2 280.393 1.885 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1sccc1COC ZINC001038911350 775302329 /nfs/dbraw/zinc/30/23/29/775302329.db2.gz DJDVRVAKXMRJFY-GFCCVEGCSA-N 1 2 280.393 1.885 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2ncoc2C(F)(F)F)C1 ZINC001030576445 775318791 /nfs/dbraw/zinc/31/87/91/775318791.db2.gz PLDQYZCKEMTHEO-UHFFFAOYSA-N 1 2 289.257 1.684 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001030597448 775347202 /nfs/dbraw/zinc/34/72/02/775347202.db2.gz JNGLGGPUJAEUMZ-UHFFFAOYSA-N 1 2 276.384 1.697 20 30 CDEDLO Cn1cc[nH+]c1CCCOC(=O)c1ccc(C#N)n1C ZINC000835329670 775380167 /nfs/dbraw/zinc/38/01/67/775380167.db2.gz HHPWVSVVXWEBKS-UHFFFAOYSA-N 1 2 272.308 1.420 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001039090532 775392852 /nfs/dbraw/zinc/39/28/52/775392852.db2.gz BYYYIDNFOWPCPK-HOTGVXAUSA-N 1 2 298.386 1.512 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001039090532 775392868 /nfs/dbraw/zinc/39/28/68/775392868.db2.gz BYYYIDNFOWPCPK-HOTGVXAUSA-N 1 2 298.386 1.512 20 30 CDEDLO CCC[C@@](C)([NH2+]C[C@@H](O)CC1(C#N)CCC1)C(=O)OC ZINC000886014459 775427508 /nfs/dbraw/zinc/42/75/08/775427508.db2.gz HXCVEKRRPFOGFS-GXTWGEPZSA-N 1 2 282.384 1.753 20 30 CDEDLO Cc1cnc(CO[NH+]=C(N)Cc2cccnc2)s1 ZINC000179924593 775445200 /nfs/dbraw/zinc/44/52/00/775445200.db2.gz BLIWCMPGYDFIHA-UHFFFAOYSA-N 1 2 262.338 1.878 20 30 CDEDLO FC(F)(F)[C@@H]1C=C(NNc2ccnc[nH+]2)CCO1 ZINC000835000240 775560432 /nfs/dbraw/zinc/56/04/32/775560432.db2.gz CBNQEVPCHNREEO-QMMMGPOBSA-N 1 2 260.219 1.986 20 30 CDEDLO CC(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001075466187 775669412 /nfs/dbraw/zinc/66/94/12/775669412.db2.gz GJYZYKQVKRPXAD-XJKSGUPXSA-N 1 2 287.338 1.750 20 30 CDEDLO CC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001075466187 775669416 /nfs/dbraw/zinc/66/94/16/775669416.db2.gz GJYZYKQVKRPXAD-XJKSGUPXSA-N 1 2 287.338 1.750 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)nc1 ZINC001017719942 775756244 /nfs/dbraw/zinc/75/62/44/775756244.db2.gz RGDIHIMVYXINTF-OKILXGFUSA-N 1 2 285.347 1.012 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)nc1 ZINC001017719942 775756264 /nfs/dbraw/zinc/75/62/64/775756264.db2.gz RGDIHIMVYXINTF-OKILXGFUSA-N 1 2 285.347 1.012 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2nc(CC)c[nH]2)C1 ZINC001014795657 775763236 /nfs/dbraw/zinc/76/32/36/775763236.db2.gz GDUDWDKNDQITPX-GFCCVEGCSA-N 1 2 296.802 1.458 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2nc(CC)c[nH]2)C1 ZINC001014795657 775763248 /nfs/dbraw/zinc/76/32/48/775763248.db2.gz GDUDWDKNDQITPX-GFCCVEGCSA-N 1 2 296.802 1.458 20 30 CDEDLO CC1(C)C(=O)N(C[NH+]2CCC(C#N)CC2)[C@@H]1[C@H]1CCCO1 ZINC000811740402 775799384 /nfs/dbraw/zinc/79/93/84/775799384.db2.gz VLFQVIUBVCYNBY-ZIAGYGMSSA-N 1 2 291.395 1.595 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cocc1C ZINC001032569752 775806704 /nfs/dbraw/zinc/80/67/04/775806704.db2.gz YUJHYRPJJPVRPL-STQMWFEESA-N 1 2 258.321 1.510 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cocc1C ZINC001032569752 775806709 /nfs/dbraw/zinc/80/67/09/775806709.db2.gz YUJHYRPJJPVRPL-STQMWFEESA-N 1 2 258.321 1.510 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1ccncc1)C(C)C ZINC001032587421 775847913 /nfs/dbraw/zinc/84/79/13/775847913.db2.gz YAOIWBMVNZTOKU-ULQDDVLXSA-N 1 2 297.402 1.740 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1ccncc1)C(C)C ZINC001032587421 775847919 /nfs/dbraw/zinc/84/79/19/775847919.db2.gz YAOIWBMVNZTOKU-ULQDDVLXSA-N 1 2 297.402 1.740 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H](C)c2cccnc2)C1 ZINC001044198981 775865367 /nfs/dbraw/zinc/86/53/67/775865367.db2.gz GYDDFSDFSPADQW-GFCCVEGCSA-N 1 2 259.353 1.514 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc(C)oc1C ZINC001018095803 775994845 /nfs/dbraw/zinc/99/48/45/775994845.db2.gz RXZFAZPRRRUUKJ-BETUJISGSA-N 1 2 275.352 1.766 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc(C)oc1C ZINC001018095803 775994853 /nfs/dbraw/zinc/99/48/53/775994853.db2.gz RXZFAZPRRRUUKJ-BETUJISGSA-N 1 2 275.352 1.766 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2onc3c2CCCC3)CC1 ZINC000825077880 776050822 /nfs/dbraw/zinc/05/08/22/776050822.db2.gz LBVMBYBFXXYIJW-UHFFFAOYSA-N 1 2 287.363 1.335 20 30 CDEDLO C#CC[C@@H]1CC[N@@H+]([C@@H](C)c2nc(N)nc(Cl)n2)C1 ZINC000886364060 776069389 /nfs/dbraw/zinc/06/93/89/776069389.db2.gz NLKOQMGBOXHAQT-DTWKUNHWSA-N 1 2 265.748 1.513 20 30 CDEDLO C#CC[C@@H]1CC[N@H+]([C@@H](C)c2nc(N)nc(Cl)n2)C1 ZINC000886364060 776069399 /nfs/dbraw/zinc/06/93/99/776069399.db2.gz NLKOQMGBOXHAQT-DTWKUNHWSA-N 1 2 265.748 1.513 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncc(F)cc1F ZINC001032480586 776194723 /nfs/dbraw/zinc/19/47/23/776194723.db2.gz DTGDRMOKAZIRGP-RYUDHWBXSA-N 1 2 291.301 1.282 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncc(F)cc1F ZINC001032480586 776194734 /nfs/dbraw/zinc/19/47/34/776194734.db2.gz DTGDRMOKAZIRGP-RYUDHWBXSA-N 1 2 291.301 1.282 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(-n2cccc2)c1 ZINC001038380811 776197706 /nfs/dbraw/zinc/19/77/06/776197706.db2.gz HTBGZGZPMPQXDP-OAHLLOKOSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc(-n2cccc2)c1 ZINC001038380811 776197713 /nfs/dbraw/zinc/19/77/13/776197713.db2.gz HTBGZGZPMPQXDP-OAHLLOKOSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1CC3(CC3)C1)CO2 ZINC001053922166 776202314 /nfs/dbraw/zinc/20/23/14/776202314.db2.gz 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ZINC001032502804 776289592 /nfs/dbraw/zinc/28/95/92/776289592.db2.gz SZNXTHXDUNQENG-HOTGVXAUSA-N 1 2 286.350 1.677 20 30 CDEDLO Cc1cccnc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N ZINC001032318869 776409076 /nfs/dbraw/zinc/40/90/76/776409076.db2.gz BCZUQOHXKCSTCV-IHRRRGAJSA-N 1 2 284.363 1.335 20 30 CDEDLO Cc1cccnc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N ZINC001032318869 776409096 /nfs/dbraw/zinc/40/90/96/776409096.db2.gz BCZUQOHXKCSTCV-IHRRRGAJSA-N 1 2 284.363 1.335 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1c(C)cccc1CC ZINC000884044444 776675286 /nfs/dbraw/zinc/67/52/86/776675286.db2.gz IOMHQIWQYAMZGG-ZDUSSCGKSA-N 1 2 290.363 1.943 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H]1C ZINC001018108167 776726172 /nfs/dbraw/zinc/72/61/72/776726172.db2.gz XUBONHLQQLCPDU-BYNSBNAKSA-N 1 2 276.380 1.110 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H]1C ZINC001018108167 776726186 /nfs/dbraw/zinc/72/61/86/776726186.db2.gz XUBONHLQQLCPDU-BYNSBNAKSA-N 1 2 276.380 1.110 20 30 CDEDLO Cc1noc(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)n1 ZINC000038034823 776744828 /nfs/dbraw/zinc/74/48/28/776744828.db2.gz GMISMZYZUCHDAV-GFCCVEGCSA-N 1 2 258.281 1.073 20 30 CDEDLO COc1ccc(C[NH2+][C@H](C)c2cnn(C)n2)cc1C#N ZINC000925583470 776948256 /nfs/dbraw/zinc/94/82/56/776948256.db2.gz LLRBXEBASPOXHN-SNVBAGLBSA-N 1 2 271.324 1.546 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnnc3ccccc32)C1 ZINC001031011100 777042056 /nfs/dbraw/zinc/04/20/56/777042056.db2.gz BMUKGEDSUWVESN-UHFFFAOYSA-N 1 2 282.347 1.620 20 30 CDEDLO C=CC[N@H+]1CCC[C@H](NC(=O)c2[nH]nc3c2CCC3)[C@@H]1C ZINC000993558600 777051982 /nfs/dbraw/zinc/05/19/82/777051982.db2.gz XUGNEBNSDGPQDN-AAEUAGOBSA-N 1 2 288.395 1.667 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)c2[nH]nc3c2CCC3)[C@@H]1C ZINC000993558600 777051990 /nfs/dbraw/zinc/05/19/90/777051990.db2.gz XUGNEBNSDGPQDN-AAEUAGOBSA-N 1 2 288.395 1.667 20 30 CDEDLO C=C[C@@H](C)ONC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000846544910 777089728 /nfs/dbraw/zinc/08/97/28/777089728.db2.gz LEWRLBLGACUMAZ-CYBMUJFWSA-N 1 2 282.384 1.644 20 30 CDEDLO C#CCCN(CCOC)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000826655625 777184119 /nfs/dbraw/zinc/18/41/19/777184119.db2.gz OVZOXSGLRXBNFU-UHFFFAOYSA-N 1 2 271.320 1.675 20 30 CDEDLO N#CCCn1ccc(NC(=O)c2cccc3[nH+]ccn32)n1 ZINC000776932041 777190533 /nfs/dbraw/zinc/19/05/33/777190533.db2.gz KUDIGTTVLGJYDO-UHFFFAOYSA-N 1 2 280.291 1.697 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2coc(C(F)F)c2)C1 ZINC001030853981 777194186 /nfs/dbraw/zinc/19/41/86/777194186.db2.gz RVFFOGMFQDNUSP-UHFFFAOYSA-N 1 2 268.263 1.655 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2cnc(C3CC3)s2)C1 ZINC001033598595 777212343 /nfs/dbraw/zinc/21/23/43/777212343.db2.gz GSXZMOQTQRJWMA-LBPRGKRZSA-N 1 2 289.404 1.800 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnc(C3CC3)s2)C1 ZINC001033598595 777212358 /nfs/dbraw/zinc/21/23/58/777212358.db2.gz GSXZMOQTQRJWMA-LBPRGKRZSA-N 1 2 289.404 1.800 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(OC)cc(OC)c1 ZINC001038953913 777236581 /nfs/dbraw/zinc/23/65/81/777236581.db2.gz QNTOCHXGVIICEB-ZDUSSCGKSA-N 1 2 288.347 1.141 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(OC)cc(OC)c1 ZINC001038953913 777236590 /nfs/dbraw/zinc/23/65/90/777236590.db2.gz QNTOCHXGVIICEB-ZDUSSCGKSA-N 1 2 288.347 1.141 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001050978134 777285323 /nfs/dbraw/zinc/28/53/23/777285323.db2.gz JYJDGMOLWOKWSR-LSDHHAIUSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001050978134 777285329 /nfs/dbraw/zinc/28/53/29/777285329.db2.gz JYJDGMOLWOKWSR-LSDHHAIUSA-N 1 2 292.423 1.960 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCCCO1 ZINC001017468049 777293235 /nfs/dbraw/zinc/29/32/35/777293235.db2.gz WTVLZIKKRHYWQM-QLFBSQMISA-N 1 2 276.380 1.254 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCCCO1 ZINC001017468049 777293242 /nfs/dbraw/zinc/29/32/42/777293242.db2.gz WTVLZIKKRHYWQM-QLFBSQMISA-N 1 2 276.380 1.254 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001050978130 777318937 /nfs/dbraw/zinc/31/89/37/777318937.db2.gz JYJDGMOLWOKWSR-HUUCEWRRSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001050978130 777318941 /nfs/dbraw/zinc/31/89/41/777318941.db2.gz JYJDGMOLWOKWSR-HUUCEWRRSA-N 1 2 292.423 1.960 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccnc3)C[C@H]21 ZINC001074148299 777326161 /nfs/dbraw/zinc/32/61/61/777326161.db2.gz SNBFYBVCSZINPL-HZPDHXFCSA-N 1 2 299.374 1.020 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccnc3)C[C@H]21 ZINC001074148299 777326162 /nfs/dbraw/zinc/32/61/62/777326162.db2.gz SNBFYBVCSZINPL-HZPDHXFCSA-N 1 2 299.374 1.020 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(OC)c1 ZINC001032508283 777360307 /nfs/dbraw/zinc/36/03/07/777360307.db2.gz LGKKBGIUVNGKDL-HOTGVXAUSA-N 1 2 298.386 1.926 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(OC)c1 ZINC001032508283 777360315 /nfs/dbraw/zinc/36/03/15/777360315.db2.gz LGKKBGIUVNGKDL-HOTGVXAUSA-N 1 2 298.386 1.926 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cnccn2)C1 ZINC001033736217 777367444 /nfs/dbraw/zinc/36/74/44/777367444.db2.gz JWQDLTCFAOGOLN-LBPRGKRZSA-N 1 2 294.786 1.766 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cnccn2)C1 ZINC001033736217 777367448 /nfs/dbraw/zinc/36/74/48/777367448.db2.gz JWQDLTCFAOGOLN-LBPRGKRZSA-N 1 2 294.786 1.766 20 30 CDEDLO CC(C)OCCO[NH+]=Cc1c(Cl)nc(N)n1C ZINC000814937110 777386402 /nfs/dbraw/zinc/38/64/02/777386402.db2.gz VKHQUORWWFOOFG-UHFFFAOYSA-N 1 2 260.725 1.431 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1COC ZINC001038450558 777552334 /nfs/dbraw/zinc/55/23/34/777552334.db2.gz NSASLJOOJGDUFY-CQSZACIVSA-N 1 2 272.348 1.270 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1COC ZINC001038450558 777552343 /nfs/dbraw/zinc/55/23/43/777552343.db2.gz NSASLJOOJGDUFY-CQSZACIVSA-N 1 2 272.348 1.270 20 30 CDEDLO C#CC[C@@H](CCOC)NC(=O)NCCCn1cc[nH+]c1 ZINC000864405336 777559846 /nfs/dbraw/zinc/55/98/46/777559846.db2.gz HTYOFQSHXYGALP-ZDUSSCGKSA-N 1 2 278.356 1.001 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC2(C)C)C1 ZINC001035334096 777566934 /nfs/dbraw/zinc/56/69/34/777566934.db2.gz PAJHHHXAVWKASD-CHWSQXEVSA-N 1 2 266.385 1.426 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC2(C)C)C1 ZINC001035334096 777566947 /nfs/dbraw/zinc/56/69/47/777566947.db2.gz PAJHHHXAVWKASD-CHWSQXEVSA-N 1 2 266.385 1.426 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@](C)(C#N)CC ZINC000928647505 777584730 /nfs/dbraw/zinc/58/47/30/777584730.db2.gz LIOQHDKTRFAKCR-TZMCWYRMSA-N 1 2 267.373 1.153 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1csc([C@H](C)OC)n1 ZINC001038257154 777586933 /nfs/dbraw/zinc/58/69/33/777586933.db2.gz ZVTCKTQWZHYQIG-QWRGUYRKSA-N 1 2 295.408 1.841 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1csc([C@H](C)OC)n1 ZINC001038257154 777586942 /nfs/dbraw/zinc/58/69/42/777586942.db2.gz ZVTCKTQWZHYQIG-QWRGUYRKSA-N 1 2 295.408 1.841 20 30 CDEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCO1)CC2 ZINC001035649698 777587186 /nfs/dbraw/zinc/58/71/86/777587186.db2.gz YWUOXFKAZCVMFT-CYBMUJFWSA-N 1 2 298.814 1.842 20 30 CDEDLO C#CC[C@@H](NCc1c[nH+]c2c(C)cccn12)C(=O)OC ZINC000839167748 777647867 /nfs/dbraw/zinc/64/78/67/777647867.db2.gz XQXLMVGCYLHCJN-CYBMUJFWSA-N 1 2 271.320 1.297 20 30 CDEDLO C=CCN1CCN(C[NH+]2CCC(F)(F)CC2)C1=O ZINC000840060437 777692221 /nfs/dbraw/zinc/69/22/21/777692221.db2.gz NJDGAKAQXACJMO-UHFFFAOYSA-N 1 2 259.300 1.599 20 30 CDEDLO C#Cc1ccccc1CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857942453 777706153 /nfs/dbraw/zinc/70/61/53/777706153.db2.gz BHGXARKDGHHJJA-HNNXBMFYSA-N 1 2 279.343 1.538 20 30 CDEDLO C[C@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CC[N@@H+]1C ZINC000785409351 777728190 /nfs/dbraw/zinc/72/81/90/777728190.db2.gz KBJKOBMHWUKAES-JTQLQIEISA-N 1 2 259.309 1.040 20 30 CDEDLO C[C@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CC[N@H+]1C ZINC000785409351 777728197 /nfs/dbraw/zinc/72/81/97/777728197.db2.gz KBJKOBMHWUKAES-JTQLQIEISA-N 1 2 259.309 1.040 20 30 CDEDLO Nc1nc(Cl)cc(N=NCc2cccc3[nH+]ccn32)n1 ZINC000778550007 777739094 /nfs/dbraw/zinc/73/90/94/777739094.db2.gz HERHDXWMKLKOBQ-UHFFFAOYSA-N 1 2 287.714 1.806 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCc3cccnc32)C1 ZINC001043602403 777775592 /nfs/dbraw/zinc/77/55/92/777775592.db2.gz HCTXCRCFUSBRQK-OAHLLOKOSA-N 1 2 285.391 1.830 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnco3)[C@@H]2C1 ZINC001076102007 777793006 /nfs/dbraw/zinc/79/30/06/777793006.db2.gz DTPXIUANBQVJAJ-WDEREUQCSA-N 1 2 281.743 1.573 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnco3)[C@@H]2C1 ZINC001076102007 777793014 /nfs/dbraw/zinc/79/30/14/777793014.db2.gz DTPXIUANBQVJAJ-WDEREUQCSA-N 1 2 281.743 1.573 20 30 CDEDLO C#CCOc1ccccc1OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000842028888 777823218 /nfs/dbraw/zinc/82/32/18/777823218.db2.gz ZECPEAQCRFQVEG-GASCZTMLSA-N 1 2 287.359 1.941 20 30 CDEDLO C#CCOc1ccccc1OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000842028888 777823219 /nfs/dbraw/zinc/82/32/19/777823219.db2.gz ZECPEAQCRFQVEG-GASCZTMLSA-N 1 2 287.359 1.941 20 30 CDEDLO C[N@@H+](Cc1ncc[nH]1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000844359585 777870392 /nfs/dbraw/zinc/87/03/92/777870392.db2.gz CFUBSIWXMRPCBI-CYBMUJFWSA-N 1 2 256.309 1.447 20 30 CDEDLO C[N@H+](Cc1ncc[nH]1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000844359585 777870393 /nfs/dbraw/zinc/87/03/93/777870393.db2.gz CFUBSIWXMRPCBI-CYBMUJFWSA-N 1 2 256.309 1.447 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)onc1C1CC1 ZINC001038527978 778006693 /nfs/dbraw/zinc/00/66/93/778006693.db2.gz AZDKWUYHEYGJLI-CYBMUJFWSA-N 1 2 287.363 1.688 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)onc1C1CC1 ZINC001038527978 778006696 /nfs/dbraw/zinc/00/66/96/778006696.db2.gz AZDKWUYHEYGJLI-CYBMUJFWSA-N 1 2 287.363 1.688 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1OCC[C@H]1C(C)C ZINC001032408961 778015236 /nfs/dbraw/zinc/01/52/36/778015236.db2.gz QGXZOISURHWMRG-VGWMRTNUSA-N 1 2 290.407 1.356 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1OCC[C@H]1C(C)C ZINC001032408961 778015255 /nfs/dbraw/zinc/01/52/55/778015255.db2.gz QGXZOISURHWMRG-VGWMRTNUSA-N 1 2 290.407 1.356 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2conc2C(F)(F)F)C1 ZINC001030684992 778019540 /nfs/dbraw/zinc/01/95/40/778019540.db2.gz BOSFDYHJITYPEL-UHFFFAOYSA-N 1 2 289.257 1.684 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)n(CC)c2C)C1 ZINC001030628677 778048054 /nfs/dbraw/zinc/04/80/54/778048054.db2.gz BEHBRFSWTJOJEU-UHFFFAOYSA-N 1 2 273.380 1.562 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C[C@H](C)CC)C1 ZINC000885511391 778052549 /nfs/dbraw/zinc/05/25/49/778052549.db2.gz HMSFTVIRLHEVMP-OLZOCXBDSA-N 1 2 272.414 1.050 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C[C@H](C)CC)C1 ZINC000885511391 778052561 /nfs/dbraw/zinc/05/25/61/778052561.db2.gz HMSFTVIRLHEVMP-OLZOCXBDSA-N 1 2 272.414 1.050 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001075619467 778065393 /nfs/dbraw/zinc/06/53/93/778065393.db2.gz DFBNDLMLYVPVMM-ADEWGFFLSA-N 1 2 267.760 1.431 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001075619467 778065410 /nfs/dbraw/zinc/06/54/10/778065410.db2.gz DFBNDLMLYVPVMM-ADEWGFFLSA-N 1 2 267.760 1.431 20 30 CDEDLO Cn1c[nH+]cc1CCOC(=O)c1cccc(F)c1C#N ZINC000793243962 778071837 /nfs/dbraw/zinc/07/18/37/778071837.db2.gz WJEGGFJUMPRXPQ-UHFFFAOYSA-N 1 2 273.267 1.830 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3c(c2)COC3)C1 ZINC001031096062 778093854 /nfs/dbraw/zinc/09/38/54/778093854.db2.gz XCFMFQGKNOAXEC-UHFFFAOYSA-N 1 2 270.332 1.154 20 30 CDEDLO N#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2C/C=C\Cl)[nH]1 ZINC001038172547 778095478 /nfs/dbraw/zinc/09/54/78/778095478.db2.gz IMVCKIZYCIIOOG-VJWLILGKSA-N 1 2 278.743 1.443 20 30 CDEDLO N#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C/C=C\Cl)[nH]1 ZINC001038172547 778095493 /nfs/dbraw/zinc/09/54/93/778095493.db2.gz IMVCKIZYCIIOOG-VJWLILGKSA-N 1 2 278.743 1.443 20 30 CDEDLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@H](O)CC1(C#N)CCC1 ZINC000885977353 778159409 /nfs/dbraw/zinc/15/94/09/778159409.db2.gz HNOZOJSNHWYHNH-GFCCVEGCSA-N 1 2 282.384 1.705 20 30 CDEDLO C[N@H+](CC(=O)OC(C)(C)C)C[C@H](O)CC1(C#N)CCC1 ZINC000885977353 778159433 /nfs/dbraw/zinc/15/94/33/778159433.db2.gz HNOZOJSNHWYHNH-GFCCVEGCSA-N 1 2 282.384 1.705 20 30 CDEDLO CC(C)[C@@H](C)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046069786 778173597 /nfs/dbraw/zinc/17/35/97/778173597.db2.gz IWQNDYORVMNNFT-CABCVRRESA-N 1 2 292.427 1.021 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cn(CC)cn2)C1 ZINC001046776171 778226820 /nfs/dbraw/zinc/22/68/20/778226820.db2.gz BFLHWRZWBHMFOX-AWEZNQCLSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cn(CC)cn2)C1 ZINC001046776171 778226828 /nfs/dbraw/zinc/22/68/28/778226828.db2.gz BFLHWRZWBHMFOX-AWEZNQCLSA-N 1 2 296.802 1.850 20 30 CDEDLO N#Cc1cncc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000721556172 778387651 /nfs/dbraw/zinc/38/76/51/778387651.db2.gz JMANIEHUONWLED-NSHDSACASA-N 1 2 271.242 1.452 20 30 CDEDLO N#Cc1cncc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000721556172 778387653 /nfs/dbraw/zinc/38/76/53/778387653.db2.gz JMANIEHUONWLED-NSHDSACASA-N 1 2 271.242 1.452 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(OC)c1F ZINC001032696516 778458450 /nfs/dbraw/zinc/45/84/50/778458450.db2.gz LFOAVFBYWCDKLD-RYUDHWBXSA-N 1 2 288.322 1.366 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(OC)c1F ZINC001032696516 778458477 /nfs/dbraw/zinc/45/84/77/778458477.db2.gz LFOAVFBYWCDKLD-RYUDHWBXSA-N 1 2 288.322 1.366 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnns1 ZINC001039340612 778479804 /nfs/dbraw/zinc/47/98/04/778479804.db2.gz FWCRBYXSWROLIL-NEPJUHHUSA-N 1 2 290.392 1.240 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnns1 ZINC001039340612 778479816 /nfs/dbraw/zinc/47/98/16/778479816.db2.gz FWCRBYXSWROLIL-NEPJUHHUSA-N 1 2 290.392 1.240 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc3ccccc3c(=O)o2)C1 ZINC001030374825 778652379 /nfs/dbraw/zinc/65/23/79/778652379.db2.gz QQFOFIYYKSPUOV-UHFFFAOYSA-N 1 2 296.326 1.230 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(OCC)c1 ZINC001032650266 778691696 /nfs/dbraw/zinc/69/16/96/778691696.db2.gz GHPOSZNPVIGIEO-GJZGRUSLSA-N 1 2 284.359 1.617 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(OCC)c1 ZINC001032650266 778691700 /nfs/dbraw/zinc/69/17/00/778691700.db2.gz GHPOSZNPVIGIEO-GJZGRUSLSA-N 1 2 284.359 1.617 20 30 CDEDLO Cc1ccc([N+](=O)[O-])cc1N[NH+]=Cc1cnc(N)nc1 ZINC000781591616 778712995 /nfs/dbraw/zinc/71/29/95/778712995.db2.gz MESRSPMAGLBQJP-UHFFFAOYSA-N 1 2 272.268 1.721 20 30 CDEDLO N#Cc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)o1 ZINC000857945524 778761098 /nfs/dbraw/zinc/76/10/98/778761098.db2.gz RQLXFNPOQFQICR-VIFPVBQESA-N 1 2 256.265 1.093 20 30 CDEDLO C=C[C@@H](C)ONC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000845636925 778774863 /nfs/dbraw/zinc/77/48/63/778774863.db2.gz SXZSBNYRHVGWSC-VXGBXAGGSA-N 1 2 264.329 1.736 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C)cc2C)C1 ZINC001035601002 778782972 /nfs/dbraw/zinc/78/29/72/778782972.db2.gz QGCUKQFFQXTINM-HNNXBMFYSA-N 1 2 288.391 1.920 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C)cc2C)C1 ZINC001035601002 778782980 /nfs/dbraw/zinc/78/29/80/778782980.db2.gz QGCUKQFFQXTINM-HNNXBMFYSA-N 1 2 288.391 1.920 20 30 CDEDLO C#CC[NH+]1CCC([C@@H](C)NC(=O)c2[nH]nc(C)c2C)CC1 ZINC000996972102 778831812 /nfs/dbraw/zinc/83/18/12/778831812.db2.gz JQKYGWPAXHXDCI-CYBMUJFWSA-N 1 2 288.395 1.490 20 30 CDEDLO C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001038602336 778839867 /nfs/dbraw/zinc/83/98/67/778839867.db2.gz LHTJQNPDZHDZHF-XIRDDKMYSA-N 1 2 282.387 1.885 20 30 CDEDLO C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001038602336 778839868 /nfs/dbraw/zinc/83/98/68/778839868.db2.gz LHTJQNPDZHDZHF-XIRDDKMYSA-N 1 2 282.387 1.885 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc(COC)c1 ZINC001032728898 778844388 /nfs/dbraw/zinc/84/43/88/778844388.db2.gz MJRMKCGOOGHXII-IRXDYDNUSA-N 1 2 298.386 1.294 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc(COC)c1 ZINC001032728898 778844389 /nfs/dbraw/zinc/84/43/89/778844389.db2.gz MJRMKCGOOGHXII-IRXDYDNUSA-N 1 2 298.386 1.294 20 30 CDEDLO CC(=[NH+]Nc1cnnn1C)c1ccc(F)cc1N(C)C ZINC000814979140 778844800 /nfs/dbraw/zinc/84/48/00/778844800.db2.gz BHEMCWNMVMIKET-UHFFFAOYSA-N 1 2 276.319 1.856 20 30 CDEDLO C#CC[C@H](CO)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000854540972 778856073 /nfs/dbraw/zinc/85/60/73/778856073.db2.gz DMEUUYOWNDLWKV-CABCVRRESA-N 1 2 297.358 1.432 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(F)(F)c1ccccc1 ZINC000789328124 778865779 /nfs/dbraw/zinc/86/57/79/778865779.db2.gz XBIJAYMVVSFMRP-AWEZNQCLSA-N 1 2 292.329 1.992 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(F)(F)c1ccccc1 ZINC000789328124 778865782 /nfs/dbraw/zinc/86/57/82/778865782.db2.gz XBIJAYMVVSFMRP-AWEZNQCLSA-N 1 2 292.329 1.992 20 30 CDEDLO N#Cc1ccc(Cn2cc(C[NH+]3CCC(O)CC3)nn2)cc1 ZINC000883992310 779061883 /nfs/dbraw/zinc/06/18/83/779061883.db2.gz KQGNBXICZMSASE-UHFFFAOYSA-N 1 2 297.362 1.155 20 30 CDEDLO C[C@@H]1C[C@@H](C)[N@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794635935 779077406 /nfs/dbraw/zinc/07/74/06/779077406.db2.gz YONIGAIGFTWAGY-NXEZZACHSA-N 1 2 265.386 1.705 20 30 CDEDLO C[C@@H]1C[C@@H](C)[N@@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794635935 779077417 /nfs/dbraw/zinc/07/74/17/779077417.db2.gz YONIGAIGFTWAGY-NXEZZACHSA-N 1 2 265.386 1.705 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccon1 ZINC001049373833 779137285 /nfs/dbraw/zinc/13/72/85/779137285.db2.gz VQXCOCKRAKQNGV-KWCYVHTRSA-N 1 2 288.351 1.400 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ccon1 ZINC001049373833 779137289 /nfs/dbraw/zinc/13/72/89/779137289.db2.gz VQXCOCKRAKQNGV-KWCYVHTRSA-N 1 2 288.351 1.400 20 30 CDEDLO C#CCSCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845569569 779171102 /nfs/dbraw/zinc/17/11/02/779171102.db2.gz MCRPKEVXDXRPKJ-NSHDSACASA-N 1 2 252.339 1.744 20 30 CDEDLO N#CC1CC[NH+](CN2C(=O)[C@]3(CCCO3)[C@H]2C2CC2)CC1 ZINC000839979594 779183600 /nfs/dbraw/zinc/18/36/00/779183600.db2.gz MNHIQHFQUHQJCQ-ZBFHGGJFSA-N 1 2 289.379 1.349 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)CN2CCc3ccccc32)C1 ZINC001031406737 779223057 /nfs/dbraw/zinc/22/30/57/779223057.db2.gz MSIHUPYWXCVUKM-UHFFFAOYSA-N 1 2 285.391 1.426 20 30 CDEDLO COc1ccccc1-n1nccc1C[NH2+]CCC#N ZINC000430752676 779286878 /nfs/dbraw/zinc/28/68/78/779286878.db2.gz DOUMPAGOMLCFFC-UHFFFAOYSA-N 1 2 256.309 1.884 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@@H]3CC[C@H](C)O3)C2)nc1 ZINC001031278229 779366391 /nfs/dbraw/zinc/36/63/91/779366391.db2.gz IFDBWMFBGNZTKA-WFASDCNBSA-N 1 2 299.374 1.044 20 30 CDEDLO C#CCOc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000174755533 779377212 /nfs/dbraw/zinc/37/72/12/779377212.db2.gz MTQXNXXBHOHRBH-UHFFFAOYSA-N 1 2 269.304 1.394 20 30 CDEDLO O=C(C#CC1CC1)N1CCC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000999127550 779395092 /nfs/dbraw/zinc/39/50/92/779395092.db2.gz IELLZYGYLBQNLQ-GFCCVEGCSA-N 1 2 290.392 1.032 20 30 CDEDLO C#CC1CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000826046321 779413056 /nfs/dbraw/zinc/41/30/56/779413056.db2.gz OELXDGIBUPOSCP-KBPBESRZSA-N 1 2 293.411 1.150 20 30 CDEDLO C#CC1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000826046322 779452751 /nfs/dbraw/zinc/45/27/51/779452751.db2.gz OELXDGIBUPOSCP-KGLIPLIRSA-N 1 2 293.411 1.150 20 30 CDEDLO C#CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000843705180 779455224 /nfs/dbraw/zinc/45/52/24/779455224.db2.gz VMYQWTZTWDVRAU-UHFFFAOYSA-N 1 2 253.305 1.820 20 30 CDEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C(C)(C)C=C)C2)CC1 ZINC001052063398 779478174 /nfs/dbraw/zinc/47/81/74/779478174.db2.gz UVJQNFFFNHODCU-OAHLLOKOSA-N 1 2 289.423 1.050 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C2(C3CC3)CCOCC2)C1 ZINC001030739763 779539174 /nfs/dbraw/zinc/53/91/74/779539174.db2.gz OOOVOELXMCFCRE-UHFFFAOYSA-N 1 2 278.396 1.570 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(N(C)C(C)=O)cc1 ZINC001039059954 779678177 /nfs/dbraw/zinc/67/81/77/779678177.db2.gz BNDQVKDNFBLPJI-INIZCTEOSA-N 1 2 299.374 1.107 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N(C)C(C)=O)cc1 ZINC001039059954 779678188 /nfs/dbraw/zinc/67/81/88/779678188.db2.gz BNDQVKDNFBLPJI-INIZCTEOSA-N 1 2 299.374 1.107 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1[nH]ccc1C1CC1 ZINC001038333173 779818468 /nfs/dbraw/zinc/81/84/68/779818468.db2.gz PKUWWQFMRGQYSF-LBPRGKRZSA-N 1 2 257.337 1.329 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1[nH]ccc1C1CC1 ZINC001038333173 779818469 /nfs/dbraw/zinc/81/84/69/779818469.db2.gz PKUWWQFMRGQYSF-LBPRGKRZSA-N 1 2 257.337 1.329 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2cc(OC)ccc21 ZINC001038335201 779839441 /nfs/dbraw/zinc/83/94/41/779839441.db2.gz UQSLXVWPITVEEZ-PBHICJAKSA-N 1 2 298.386 1.549 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2cc(OC)ccc21 ZINC001038335201 779839443 /nfs/dbraw/zinc/83/94/43/779839443.db2.gz UQSLXVWPITVEEZ-PBHICJAKSA-N 1 2 298.386 1.549 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[C@@H](C)C1)CCO2 ZINC001053459267 779853991 /nfs/dbraw/zinc/85/39/91/779853991.db2.gz KNDDEXRJUUGKPH-HUUCEWRRSA-N 1 2 292.423 1.912 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccon3)cc2C1 ZINC001054256962 779905193 /nfs/dbraw/zinc/90/51/93/779905193.db2.gz SYWVHDWHKDGDSB-UHFFFAOYSA-N 1 2 281.315 1.553 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccon3)cc2C1 ZINC001054256962 779905200 /nfs/dbraw/zinc/90/52/00/779905200.db2.gz SYWVHDWHKDGDSB-UHFFFAOYSA-N 1 2 281.315 1.553 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)c3ccccc32)C1 ZINC000923564413 779940585 /nfs/dbraw/zinc/94/05/85/779940585.db2.gz QVSGQSQOMLFSSW-CZUORRHYSA-N 1 2 296.370 1.570 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)c3ccccc32)C1 ZINC000923564413 779940597 /nfs/dbraw/zinc/94/05/97/779940597.db2.gz QVSGQSQOMLFSSW-CZUORRHYSA-N 1 2 296.370 1.570 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](CNC(=O)c2cncc3nc[nH]c32)C1 ZINC001028556519 779958141 /nfs/dbraw/zinc/95/81/41/779958141.db2.gz ZEJHPBRVEIMLKI-LBPRGKRZSA-N 1 2 297.362 1.033 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](CNC(=O)c2cncc3nc[nH]c32)C1 ZINC001028556519 779958162 /nfs/dbraw/zinc/95/81/62/779958162.db2.gz ZEJHPBRVEIMLKI-LBPRGKRZSA-N 1 2 297.362 1.033 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cn3cc(C)ccc3n2)C1 ZINC001043076574 779966212 /nfs/dbraw/zinc/96/62/12/779966212.db2.gz PLBIFVCSGRGXCQ-UHFFFAOYSA-N 1 2 298.390 1.975 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NC[C@@]1(C)CCC(=O)N1 ZINC000853679427 780032670 /nfs/dbraw/zinc/03/26/70/780032670.db2.gz XRYORTLKTHTKJT-MRXNPFEDSA-N 1 2 287.363 1.954 20 30 CDEDLO C=CC[N@H+]1CCC[C@H](NC(=O)c2[nH]nc3c2CCC3)[C@H]1C ZINC000993558607 780160049 /nfs/dbraw/zinc/16/00/49/780160049.db2.gz XUGNEBNSDGPQDN-YPMHNXCESA-N 1 2 288.395 1.667 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)c2[nH]nc3c2CCC3)[C@H]1C ZINC000993558607 780160053 /nfs/dbraw/zinc/16/00/53/780160053.db2.gz XUGNEBNSDGPQDN-YPMHNXCESA-N 1 2 288.395 1.667 20 30 CDEDLO COc1ccc(NC(=O)Cc2c[nH]c[nH+]2)cc1C#N ZINC001643054338 1167223643 /nfs/dbraw/zinc/22/36/43/1167223643.db2.gz KVBNCUCJWRDXLE-UHFFFAOYSA-N 1 2 256.265 1.471 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](C)SC)C1 ZINC001267674064 899232443 /nfs/dbraw/zinc/23/24/43/899232443.db2.gz LPOJUVRCKRZDEE-SECBINFHSA-N 1 2 262.806 1.538 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)[C@H]1C ZINC001088941278 912341357 /nfs/dbraw/zinc/34/13/57/912341357.db2.gz PCXMBRIXCAPJMP-MNOVXSKESA-N 1 2 282.775 1.284 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)[C@H]1C ZINC001088941278 912341381 /nfs/dbraw/zinc/34/13/81/912341381.db2.gz PCXMBRIXCAPJMP-MNOVXSKESA-N 1 2 282.775 1.284 20 30 CDEDLO CCc1ccc(C[C@@H](C)N2CC[NH2+]C[C@@H]2C#N)cc1 ZINC001173241310 912373835 /nfs/dbraw/zinc/37/38/35/912373835.db2.gz UUUAXFPDWPLOFX-CJNGLKHVSA-N 1 2 257.381 1.977 20 30 CDEDLO CC(C)C[C@H](C#N)[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173750207 912787533 /nfs/dbraw/zinc/78/75/33/912787533.db2.gz HUJMAGATQZVELK-YNEHKIRRSA-N 1 2 262.361 1.685 20 30 CDEDLO C#Cc1cc(Nc2cnn([C@H](C)OCC)c2)cc[nH+]1 ZINC001174690394 913285493 /nfs/dbraw/zinc/28/54/93/913285493.db2.gz FUVPNYJOOKCALG-NSHDSACASA-N 1 2 256.309 1.980 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)C(C)(F)F)C1CC1 ZINC001567435556 1168759001 /nfs/dbraw/zinc/75/90/01/1168759001.db2.gz SYTZCGJNONWDHA-UHFFFAOYSA-N 1 2 266.719 1.975 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)C(C)(F)F)C1CC1 ZINC001567435556 1168759004 /nfs/dbraw/zinc/75/90/04/1168759004.db2.gz SYTZCGJNONWDHA-UHFFFAOYSA-N 1 2 266.719 1.975 20 30 CDEDLO C#CCCCC(=O)N[C@H](C)CCNc1cc[nH+]c(C)n1 ZINC001106307672 913844015 /nfs/dbraw/zinc/84/40/15/913844015.db2.gz HSMSOGQOFAUTRA-GFCCVEGCSA-N 1 2 274.368 1.895 20 30 CDEDLO CC#CC[NH2+]CC1(CCNC(=O)c2[nH]ncc2F)CC1 ZINC001167081090 894259492 /nfs/dbraw/zinc/25/94/92/894259492.db2.gz ZRTBJFUIVIFYAT-UHFFFAOYSA-N 1 2 278.331 1.062 20 30 CDEDLO N#CCc1cc[nH+]c(N2CCc3ccc(=O)[nH]c3CC2)c1 ZINC001167165909 894787664 /nfs/dbraw/zinc/78/76/64/894787664.db2.gz GSBCNLQHCIARGH-UHFFFAOYSA-N 1 2 280.331 1.853 20 30 CDEDLO C#Cc1cc(Nc2cnn(Cc3cccnc3)c2)cc[nH+]1 ZINC001176453871 914120713 /nfs/dbraw/zinc/12/07/13/914120713.db2.gz FDVBUZMNQKNCCY-UHFFFAOYSA-N 1 2 275.315 1.868 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)COCCC)C[C@@H]21 ZINC001176936294 914372028 /nfs/dbraw/zinc/37/20/28/914372028.db2.gz GTXBLKWPVXSCQP-GJZGRUSLSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)COCCC)C[C@@H]21 ZINC001176936294 914372046 /nfs/dbraw/zinc/37/20/46/914372046.db2.gz GTXBLKWPVXSCQP-GJZGRUSLSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)CNC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176971788 914411030 /nfs/dbraw/zinc/41/10/30/914411030.db2.gz XYSRBIJWVYNTRP-ZDUSSCGKSA-N 1 2 259.353 1.990 20 30 CDEDLO CC(=O)NC1C[NH+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139703312 901425236 /nfs/dbraw/zinc/42/52/36/901425236.db2.gz NIFZNACZQWBJEN-UHFFFAOYSA-N 1 2 268.320 1.360 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccccc2OCC2CC2)C1 ZINC001031431723 914627318 /nfs/dbraw/zinc/62/73/18/914627318.db2.gz UFVXVPFJYFPPSY-UHFFFAOYSA-N 1 2 298.386 1.913 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cncc(F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226839788 905726269 /nfs/dbraw/zinc/72/62/69/905726269.db2.gz MFKSBARYMHSCDZ-DERRMCRCSA-N 1 2 250.273 1.212 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cncc(F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226839788 905726278 /nfs/dbraw/zinc/72/62/78/905726278.db2.gz MFKSBARYMHSCDZ-DERRMCRCSA-N 1 2 250.273 1.212 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2CC2)[C@H]1C ZINC001088439724 907217482 /nfs/dbraw/zinc/21/74/82/907217482.db2.gz SJUQAEUZVJAEMK-KOLCDFICSA-N 1 2 287.201 1.884 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2CC2)[C@H]1C ZINC001088439724 907217494 /nfs/dbraw/zinc/21/74/94/907217494.db2.gz SJUQAEUZVJAEMK-KOLCDFICSA-N 1 2 287.201 1.884 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2)[C@@H](O)C1 ZINC001090025219 921382703 /nfs/dbraw/zinc/38/27/03/921382703.db2.gz CYRSFSHDUDTCDH-KGLIPLIRSA-N 1 2 294.782 1.604 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2)[C@@H](O)C1 ZINC001090025219 921382715 /nfs/dbraw/zinc/38/27/15/921382715.db2.gz CYRSFSHDUDTCDH-KGLIPLIRSA-N 1 2 294.782 1.604 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2)[C@H](O)C1 ZINC001090025224 921383140 /nfs/dbraw/zinc/38/31/40/921383140.db2.gz CYRSFSHDUDTCDH-ZIAGYGMSSA-N 1 2 294.782 1.604 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2)[C@H](O)C1 ZINC001090025224 921383154 /nfs/dbraw/zinc/38/31/54/921383154.db2.gz CYRSFSHDUDTCDH-ZIAGYGMSSA-N 1 2 294.782 1.604 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnc[nH]c2=O)[C@H]1C ZINC001088649021 908724749 /nfs/dbraw/zinc/72/47/49/908724749.db2.gz FXDYNFWAHMYIHK-KOLCDFICSA-N 1 2 296.758 1.127 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnc[nH]c2=O)[C@H]1C ZINC001088649021 908724763 /nfs/dbraw/zinc/72/47/63/908724763.db2.gz FXDYNFWAHMYIHK-KOLCDFICSA-N 1 2 296.758 1.127 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)n2C)[C@H]1C ZINC001088794830 909449944 /nfs/dbraw/zinc/44/99/44/909449944.db2.gz YTHNZLSQZPBURQ-ZJUUUORDSA-N 1 2 298.774 1.071 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)n2C)[C@H]1C ZINC001088794830 909449950 /nfs/dbraw/zinc/44/99/50/909449950.db2.gz YTHNZLSQZPBURQ-ZJUUUORDSA-N 1 2 298.774 1.071 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]21 ZINC001093341122 909756130 /nfs/dbraw/zinc/75/61/30/909756130.db2.gz DCZOEAAULIAMHK-VIKVFOODSA-N 1 2 286.379 1.692 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](C)C3CC3)CC2)C1 ZINC001093522486 909901030 /nfs/dbraw/zinc/90/10/30/909901030.db2.gz XBFRYNUYOVOHKJ-CYBMUJFWSA-N 1 2 292.423 1.910 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001094178676 910386794 /nfs/dbraw/zinc/38/67/94/910386794.db2.gz MWICFKKYMJZXQL-OLZOCXBDSA-N 1 2 290.367 1.294 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnc(OC)nc1 ZINC001409633368 910573763 /nfs/dbraw/zinc/57/37/63/910573763.db2.gz BLKIZPPIRYZHFV-JTQLQIEISA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnc(OC)nc1 ZINC001409633368 910573776 /nfs/dbraw/zinc/57/37/76/910573776.db2.gz BLKIZPPIRYZHFV-JTQLQIEISA-N 1 2 298.774 1.288 20 30 CDEDLO CCOC(=O)CC[C@H]([NH2+][C@@H](C)CCCC#N)C(=O)OCC ZINC001172482417 911684870 /nfs/dbraw/zinc/68/48/70/911684870.db2.gz GONGOXRSEASSFX-STQMWFEESA-N 1 2 298.383 1.933 20 30 CDEDLO CCCOC1CCC(N2CC[NH2+]C[C@@H]2C#N)CC1 ZINC001173097711 912151803 /nfs/dbraw/zinc/15/18/03/912151803.db2.gz PKHPKUODFMFWOI-MOKVOYLWSA-N 1 2 251.374 1.522 20 30 CDEDLO O=C(C#Cc1cccnc1)Nc1cccc2[nH+]ccn21 ZINC001177773227 914883449 /nfs/dbraw/zinc/88/34/49/914883449.db2.gz LCXIBSCCELCQKT-UHFFFAOYSA-N 1 2 262.272 1.720 20 30 CDEDLO O=C(C#Cc1cccnc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001177776886 914889815 /nfs/dbraw/zinc/88/98/15/914889815.db2.gz JSNNCPPWYPIGKN-CQSZACIVSA-N 1 2 280.331 1.562 20 30 CDEDLO C[C@H](C(=O)NCc1ccc(C#N)nc1)n1cc[nH+]c1 ZINC001177929814 915059319 /nfs/dbraw/zinc/05/93/19/915059319.db2.gz RQUGONNJNWIADV-SNVBAGLBSA-N 1 2 255.281 1.027 20 30 CDEDLO Cc1nc(C#N)c(NC(=O)[C@H]2CCc3[nH+]ccn3C2)o1 ZINC001178101320 915167706 /nfs/dbraw/zinc/16/77/06/915167706.db2.gz VYDAYRTUOXTFFP-VIFPVBQESA-N 1 2 271.280 1.252 20 30 CDEDLO N#Cc1cccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC001178100615 915167943 /nfs/dbraw/zinc/16/79/43/915167943.db2.gz ABEWCGAICZUIPW-SNVBAGLBSA-N 1 2 267.292 1.351 20 30 CDEDLO C#CCN1CC2(C[NH+](CCc3cccc(C)c3)C2)OCC1=O ZINC001273042895 921755342 /nfs/dbraw/zinc/75/53/42/921755342.db2.gz VUCRHKKEYZWRQE-UHFFFAOYSA-N 1 2 298.386 1.084 20 30 CDEDLO C#CCC[NH2+][C@H]1CCN(C(=O)C(F)C(F)(F)F)[C@H]1C ZINC001178746474 915612359 /nfs/dbraw/zinc/61/23/59/915612359.db2.gz GAJABXLMYLBMSK-GUBZILKMSA-N 1 2 280.265 1.489 20 30 CDEDLO C#CCC[NH2+][C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)[C@H]1C ZINC001178746474 915612368 /nfs/dbraw/zinc/61/23/68/915612368.db2.gz GAJABXLMYLBMSK-GUBZILKMSA-N 1 2 280.265 1.489 20 30 CDEDLO C=CCCC(=O)NC[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001097716688 936342743 /nfs/dbraw/zinc/34/27/43/936342743.db2.gz YMNGVUCZYPZHTD-JTQLQIEISA-N 1 2 288.355 1.246 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001124488792 917400620 /nfs/dbraw/zinc/40/06/20/917400620.db2.gz UVPACMXQQXGHMJ-WDEREUQCSA-N 1 2 296.371 1.126 20 30 CDEDLO C=CCN1C(=O)COCC12C[NH+](Cc1[nH]cc(C)c1C)C2 ZINC001272705515 917400989 /nfs/dbraw/zinc/40/09/89/917400989.db2.gz BVBMNOMBENPNKP-UHFFFAOYSA-N 1 2 289.379 1.231 20 30 CDEDLO CC(C)(C)C#CC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001182422775 917852629 /nfs/dbraw/zinc/85/26/29/917852629.db2.gz AIHMLBNHMNMHBF-LLVKDONJSA-N 1 2 292.408 1.278 20 30 CDEDLO C=CCOCCCC(=O)N[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001107668741 918575833 /nfs/dbraw/zinc/57/58/33/918575833.db2.gz LTHONPKZGUQIRR-GFCCVEGCSA-N 1 2 292.383 1.684 20 30 CDEDLO Cc1cc(N[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001056587663 936521683 /nfs/dbraw/zinc/52/16/83/936521683.db2.gz NIEBSXSFMMKHJP-GXFFZTMASA-N 1 2 299.378 1.835 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)OC)C2 ZINC001110340127 918695237 /nfs/dbraw/zinc/69/52/37/918695237.db2.gz CIPBCMNRRGWKEA-KKOKHZNYSA-N 1 2 272.776 1.495 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)OC)C2 ZINC001110340127 918695247 /nfs/dbraw/zinc/69/52/47/918695247.db2.gz CIPBCMNRRGWKEA-KKOKHZNYSA-N 1 2 272.776 1.495 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)/C=C\C2CC2)C1 ZINC001107839607 918853549 /nfs/dbraw/zinc/85/35/49/918853549.db2.gz QWWAHPJDKGNUHN-IDTUSYRASA-N 1 2 264.369 1.346 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)/C=C\C2CC2)C1 ZINC001107839607 918853561 /nfs/dbraw/zinc/85/35/61/918853561.db2.gz QWWAHPJDKGNUHN-IDTUSYRASA-N 1 2 264.369 1.346 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2CC(C)C2)C1 ZINC001107857674 918905206 /nfs/dbraw/zinc/90/52/06/918905206.db2.gz ANPUSFOTNUXEBG-ZBCRRDGASA-N 1 2 278.396 1.263 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2CC(C)C2)C1 ZINC001107857674 918905221 /nfs/dbraw/zinc/90/52/21/918905221.db2.gz ANPUSFOTNUXEBG-ZBCRRDGASA-N 1 2 278.396 1.263 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cncc(F)c2)C1 ZINC001107860523 918912259 /nfs/dbraw/zinc/91/22/59/918912259.db2.gz RBWIFOIVVMDVDJ-HNNXBMFYSA-N 1 2 293.342 1.227 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cncc(F)c2)C1 ZINC001107860523 918912270 /nfs/dbraw/zinc/91/22/70/918912270.db2.gz RBWIFOIVVMDVDJ-HNNXBMFYSA-N 1 2 293.342 1.227 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001185056964 919384401 /nfs/dbraw/zinc/38/44/01/919384401.db2.gz WWMNPBHWDNBWNR-VXGBXAGGSA-N 1 2 294.424 1.831 20 30 CDEDLO N#C[C@H]1CCN(Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001139059013 936592592 /nfs/dbraw/zinc/59/25/92/936592592.db2.gz KHSWZCZRTAFLOU-QGZVFWFLSA-N 1 2 285.391 1.864 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2ccccc2)C1 ZINC001108030141 920112486 /nfs/dbraw/zinc/11/24/86/920112486.db2.gz AXPZVBRFWKYGGL-QGZVFWFLSA-N 1 2 288.391 1.622 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2ccccc2)C1 ZINC001108030141 920112493 /nfs/dbraw/zinc/11/24/93/920112493.db2.gz AXPZVBRFWKYGGL-QGZVFWFLSA-N 1 2 288.391 1.622 20 30 CDEDLO C[N@H+](C1COC1)C1CN(Cc2cccc(Cl)c2C#N)C1 ZINC001139692371 936636250 /nfs/dbraw/zinc/63/62/50/936636250.db2.gz XZZQDDULNKMMSS-UHFFFAOYSA-N 1 2 291.782 1.726 20 30 CDEDLO C[N@@H+](C1COC1)C1CN(Cc2cccc(Cl)c2C#N)C1 ZINC001139692371 936636252 /nfs/dbraw/zinc/63/62/52/936636252.db2.gz XZZQDDULNKMMSS-UHFFFAOYSA-N 1 2 291.782 1.726 20 30 CDEDLO Cn1c2ccccc2c(C[N@H+](C)CCC#N)cc1=O ZINC001139752274 936644055 /nfs/dbraw/zinc/64/40/55/936644055.db2.gz CGUDSFTWTRWSAF-UHFFFAOYSA-N 1 2 255.321 1.884 20 30 CDEDLO Cn1c2ccccc2c(C[N@@H+](C)CCC#N)cc1=O ZINC001139752274 936644056 /nfs/dbraw/zinc/64/40/56/936644056.db2.gz CGUDSFTWTRWSAF-UHFFFAOYSA-N 1 2 255.321 1.884 20 30 CDEDLO C=CCn1cc(CN2CC[NH+](Cc3ccncc3)CC2)cn1 ZINC001139770735 936645285 /nfs/dbraw/zinc/64/52/85/936645285.db2.gz YWDZOFVOIYCLAN-UHFFFAOYSA-N 1 2 297.406 1.782 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)NCCC(F)(F)F)CC1 ZINC001186996811 920302601 /nfs/dbraw/zinc/30/26/01/920302601.db2.gz KFIZBGJCJLPNSP-UHFFFAOYSA-N 1 2 265.279 1.452 20 30 CDEDLO N#Cc1ccc2[nH]cc(C[NH+]3CC(N4CC(F)C4)C3)c2c1 ZINC001140112931 936679273 /nfs/dbraw/zinc/67/92/73/936679273.db2.gz XZVKGTBUTJPYQM-UHFFFAOYSA-N 1 2 284.338 1.877 20 30 CDEDLO N#Cc1cnc(NC(=O)c2ccccc2-n2cc[nH+]c2)cn1 ZINC001190074759 921830575 /nfs/dbraw/zinc/83/05/75/921830575.db2.gz JXPHHCATLVAFRJ-UHFFFAOYSA-N 1 2 290.286 1.786 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)cn1 ZINC001140546345 936723416 /nfs/dbraw/zinc/72/34/16/936723416.db2.gz FPMLMMAXWXLYFV-MRXNPFEDSA-N 1 2 298.390 1.834 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)cn1 ZINC001140546345 936723418 /nfs/dbraw/zinc/72/34/18/936723418.db2.gz FPMLMMAXWXLYFV-MRXNPFEDSA-N 1 2 298.390 1.834 20 30 CDEDLO Cc1nc(N[C@@H](C)CCNC(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001098948486 936770250 /nfs/dbraw/zinc/77/02/50/936770250.db2.gz ZZFDEUZZUUPRTK-UWVGGRQHSA-N 1 2 261.329 1.251 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@]2(C)C=CCC2)C1 ZINC001108138574 922729600 /nfs/dbraw/zinc/72/96/00/922729600.db2.gz QHFJXYPKBVAJOO-HOTGVXAUSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@]2(C)C=CCC2)C1 ZINC001108138574 922729616 /nfs/dbraw/zinc/72/96/16/922729616.db2.gz QHFJXYPKBVAJOO-HOTGVXAUSA-N 1 2 278.396 1.736 20 30 CDEDLO C#CCO[C@H](C)C(=O)NCC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001099515848 936790331 /nfs/dbraw/zinc/79/03/31/936790331.db2.gz KUURUNYXOCDBMV-NWDGAFQWSA-N 1 2 290.367 1.130 20 30 CDEDLO COC(C[N@H+](C)Cc1sc(N)c(C#N)c1Cl)OC ZINC001141114689 936813011 /nfs/dbraw/zinc/81/30/11/936813011.db2.gz VASROTYOTVHXAT-UHFFFAOYSA-N 1 2 289.788 1.906 20 30 CDEDLO COC(C[N@@H+](C)Cc1sc(N)c(C#N)c1Cl)OC ZINC001141114689 936813013 /nfs/dbraw/zinc/81/30/13/936813013.db2.gz VASROTYOTVHXAT-UHFFFAOYSA-N 1 2 289.788 1.906 20 30 CDEDLO C[C@]1(CO)CC[N@H+](Cc2ccc(F)cc2C#N)C[C@H]1O ZINC001141164290 936823506 /nfs/dbraw/zinc/82/35/06/936823506.db2.gz VORUGVHXZZIZDA-HUUCEWRRSA-N 1 2 278.327 1.263 20 30 CDEDLO C[C@]1(CO)CC[N@@H+](Cc2ccc(F)cc2C#N)C[C@H]1O ZINC001141164290 936823508 /nfs/dbraw/zinc/82/35/08/936823508.db2.gz VORUGVHXZZIZDA-HUUCEWRRSA-N 1 2 278.327 1.263 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C(C)=O)C1 ZINC000923576689 923951361 /nfs/dbraw/zinc/95/13/61/923951361.db2.gz MDNQTWXSYYVKEI-CQSZACIVSA-N 1 2 284.359 1.717 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C(C)=O)C1 ZINC000923576689 923951376 /nfs/dbraw/zinc/95/13/76/923951376.db2.gz MDNQTWXSYYVKEI-CQSZACIVSA-N 1 2 284.359 1.717 20 30 CDEDLO Cc1nc(N2C[C@@H]3CCN(C(=O)C#CC(C)C)[C@@H]3C2)cc[nH+]1 ZINC001090310275 924091122 /nfs/dbraw/zinc/09/11/22/924091122.db2.gz ISRKYTURWPMRED-LSDHHAIUSA-N 1 2 298.390 1.482 20 30 CDEDLO C=CCOC(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001194305029 924148681 /nfs/dbraw/zinc/14/86/81/924148681.db2.gz XRDZJCZMGXBOFD-UHFFFAOYSA-N 1 2 275.352 1.564 20 30 CDEDLO C=CCOC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001194282793 924159060 /nfs/dbraw/zinc/15/90/60/924159060.db2.gz JKWILOIWOLDIGM-OAHLLOKOSA-N 1 2 290.363 1.800 20 30 CDEDLO C=CCOC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001194282793 924159069 /nfs/dbraw/zinc/15/90/69/924159069.db2.gz JKWILOIWOLDIGM-OAHLLOKOSA-N 1 2 290.363 1.800 20 30 CDEDLO C=CCCOCC(=O)N1CC[C@H]([N@H+](C)Cc2ccon2)C1 ZINC001194381729 924194324 /nfs/dbraw/zinc/19/43/24/924194324.db2.gz MHBPZRPLMOPUCO-AWEZNQCLSA-N 1 2 293.367 1.300 20 30 CDEDLO C=CCCOCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccon2)C1 ZINC001194381729 924194334 /nfs/dbraw/zinc/19/43/34/924194334.db2.gz MHBPZRPLMOPUCO-AWEZNQCLSA-N 1 2 293.367 1.300 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001079446464 924320271 /nfs/dbraw/zinc/32/02/71/924320271.db2.gz ALYRCLKCTXBQMR-LDYMZIIASA-N 1 2 268.748 1.212 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001079446464 924320278 /nfs/dbraw/zinc/32/02/78/924320278.db2.gz ALYRCLKCTXBQMR-LDYMZIIASA-N 1 2 268.748 1.212 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=S)Nc2ccccc2C#N)C1 ZINC001196331943 924873070 /nfs/dbraw/zinc/87/30/70/924873070.db2.gz UWAMSDNQHJVFIC-GFCCVEGCSA-N 1 2 290.392 1.175 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=S)Nc2ccccc2C#N)C1 ZINC001196331943 924873080 /nfs/dbraw/zinc/87/30/80/924873080.db2.gz UWAMSDNQHJVFIC-GFCCVEGCSA-N 1 2 290.392 1.175 20 30 CDEDLO C=CCOCC(=O)NCC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001098925632 925474445 /nfs/dbraw/zinc/47/44/45/925474445.db2.gz QCINVLUQUVRNPA-LLVKDONJSA-N 1 2 278.356 1.294 20 30 CDEDLO COCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001230539173 925496761 /nfs/dbraw/zinc/49/67/61/925496761.db2.gz RTCAWKCFBLXSCB-NSHDSACASA-N 1 2 293.392 1.299 20 30 CDEDLO COCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001230539173 925496767 /nfs/dbraw/zinc/49/67/67/925496767.db2.gz RTCAWKCFBLXSCB-NSHDSACASA-N 1 2 293.392 1.299 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](CNC(=O)C(F)C(F)(F)F)[C@H](C)C1 ZINC001101986984 937034645 /nfs/dbraw/zinc/03/46/45/937034645.db2.gz SWZCPKWLDYRCRM-OPRDCNLKSA-N 1 2 282.281 1.757 20 30 CDEDLO C=CC[N@H+]1C[C@@H](CNC(=O)C(F)C(F)(F)F)[C@H](C)C1 ZINC001101986984 937034646 /nfs/dbraw/zinc/03/46/46/937034646.db2.gz SWZCPKWLDYRCRM-OPRDCNLKSA-N 1 2 282.281 1.757 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)[C@H](C)C1 ZINC001101986984 937034648 /nfs/dbraw/zinc/03/46/48/937034648.db2.gz SWZCPKWLDYRCRM-OPRDCNLKSA-N 1 2 282.281 1.757 20 30 CDEDLO C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)[C@H](C)C1 ZINC001101986984 937034650 /nfs/dbraw/zinc/03/46/50/937034650.db2.gz SWZCPKWLDYRCRM-OPRDCNLKSA-N 1 2 282.281 1.757 20 30 CDEDLO CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001085445707 925972171 /nfs/dbraw/zinc/97/21/71/925972171.db2.gz NCBLLYXDINHMRG-AWEZNQCLSA-N 1 2 275.327 1.750 20 30 CDEDLO CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001085445707 925972178 /nfs/dbraw/zinc/97/21/78/925972178.db2.gz NCBLLYXDINHMRG-AWEZNQCLSA-N 1 2 275.327 1.750 20 30 CDEDLO CN(C[C@@H]1CC[N@@H+]1C/C=C\Cl)C(=O)c1c[nH]c(C#N)c1 ZINC001085556563 926148361 /nfs/dbraw/zinc/14/83/61/926148361.db2.gz UNSPMGXLHBKVAM-LSYFEZSPSA-N 1 2 292.770 1.785 20 30 CDEDLO CN(C[C@@H]1CC[N@H+]1C/C=C\Cl)C(=O)c1c[nH]c(C#N)c1 ZINC001085556563 926148366 /nfs/dbraw/zinc/14/83/66/926148366.db2.gz UNSPMGXLHBKVAM-LSYFEZSPSA-N 1 2 292.770 1.785 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2[nH]c(C)nc2c1 ZINC001085634675 926235238 /nfs/dbraw/zinc/23/52/38/926235238.db2.gz WMLDEGWCUQYKGY-CYBMUJFWSA-N 1 2 297.362 1.046 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2[nH]c(C)nc2c1 ZINC001085634675 926235247 /nfs/dbraw/zinc/23/52/47/926235247.db2.gz WMLDEGWCUQYKGY-CYBMUJFWSA-N 1 2 297.362 1.046 20 30 CDEDLO N#Cc1cc(N)c(Nc2ccc(N)[nH+]c2)cc1C#N ZINC001201292565 926243772 /nfs/dbraw/zinc/24/37/72/926243772.db2.gz PWDJGQMYWBAKTD-UHFFFAOYSA-N 1 2 250.265 1.733 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2oc(C)nc2c1 ZINC001085663812 926257781 /nfs/dbraw/zinc/25/77/81/926257781.db2.gz TXPBVGRIWWHRKZ-AWEZNQCLSA-N 1 2 297.358 1.916 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2oc(C)nc2c1 ZINC001085663812 926257790 /nfs/dbraw/zinc/25/77/90/926257790.db2.gz TXPBVGRIWWHRKZ-AWEZNQCLSA-N 1 2 297.358 1.916 20 30 CDEDLO C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1snnc1CC ZINC001085707005 926310876 /nfs/dbraw/zinc/31/08/76/926310876.db2.gz ANZXUXHPKBPBJA-NSHDSACASA-N 1 2 292.408 1.270 20 30 CDEDLO C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1snnc1CC ZINC001085707005 926310886 /nfs/dbraw/zinc/31/08/86/926310886.db2.gz ANZXUXHPKBPBJA-NSHDSACASA-N 1 2 292.408 1.270 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)nn(C)c1Cl ZINC001085747752 926349922 /nfs/dbraw/zinc/34/99/22/926349922.db2.gz OROVUJCDVOINDG-LLVKDONJSA-N 1 2 294.786 1.161 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)nn(C)c1Cl ZINC001085747752 926349930 /nfs/dbraw/zinc/34/99/30/926349930.db2.gz OROVUJCDVOINDG-LLVKDONJSA-N 1 2 294.786 1.161 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc(OCC)c1 ZINC001085808949 926413627 /nfs/dbraw/zinc/41/36/27/926413627.db2.gz QMXQFHRTIINPFA-CQSZACIVSA-N 1 2 287.363 1.260 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc(OCC)c1 ZINC001085808949 926413633 /nfs/dbraw/zinc/41/36/33/926413633.db2.gz QMXQFHRTIINPFA-CQSZACIVSA-N 1 2 287.363 1.260 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1oc(C2CC2)nc1C ZINC001085863174 926461230 /nfs/dbraw/zinc/46/12/30/926461230.db2.gz RTXBSCHULVLTGF-CYBMUJFWSA-N 1 2 287.363 1.640 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1oc(C2CC2)nc1C ZINC001085863174 926461231 /nfs/dbraw/zinc/46/12/31/926461231.db2.gz RTXBSCHULVLTGF-CYBMUJFWSA-N 1 2 287.363 1.640 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nn(C)c2ccccc12 ZINC001085933113 926518098 /nfs/dbraw/zinc/51/80/98/926518098.db2.gz PXJXBAHQHMMWQE-ZDUSSCGKSA-N 1 2 296.374 1.353 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nn(C)c2ccccc12 ZINC001085933113 926518105 /nfs/dbraw/zinc/51/81/05/926518105.db2.gz PXJXBAHQHMMWQE-ZDUSSCGKSA-N 1 2 296.374 1.353 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cncnc1CC ZINC001085977256 926561018 /nfs/dbraw/zinc/56/10/18/926561018.db2.gz QSMOCTITDKFXJA-CYBMUJFWSA-N 1 2 286.379 1.209 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cncnc1CC ZINC001085977256 926561031 /nfs/dbraw/zinc/56/10/31/926561031.db2.gz QSMOCTITDKFXJA-CYBMUJFWSA-N 1 2 286.379 1.209 20 30 CDEDLO Cc1nc(N2CCCC[C@H](NC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001102861693 937093705 /nfs/dbraw/zinc/09/37/05/937093705.db2.gz OSNUABXGDGSRPG-HNNXBMFYSA-N 1 2 298.390 1.674 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](OC)c2ccccc2)CC1 ZINC001143097741 937119195 /nfs/dbraw/zinc/11/91/95/937119195.db2.gz QCXCWTQWYPQXOR-HNNXBMFYSA-N 1 2 274.364 1.704 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3c(c2)NC(=O)CC3)CC1 ZINC001149337793 937170566 /nfs/dbraw/zinc/17/05/66/937170566.db2.gz SDYAPRWODUNMEB-UHFFFAOYSA-N 1 2 299.374 1.515 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)nc1 ZINC000851990296 927681351 /nfs/dbraw/zinc/68/13/51/927681351.db2.gz QKBIJPFDWSEOBR-SECBINFHSA-N 1 2 251.717 1.627 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)nc1 ZINC000851990296 927681355 /nfs/dbraw/zinc/68/13/55/927681355.db2.gz QKBIJPFDWSEOBR-SECBINFHSA-N 1 2 251.717 1.627 20 30 CDEDLO CC1CCN(c2ccc(N3CC[NH2+]C[C@@H]3C#N)nn2)CC1 ZINC001156328021 928128798 /nfs/dbraw/zinc/12/87/98/928128798.db2.gz YFZVCRMPEOQGCK-ZDUSSCGKSA-N 1 2 286.383 1.015 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N(C)CCCNc1cc[nH+]c(C)n1 ZINC001109427465 928931775 /nfs/dbraw/zinc/93/17/75/928931775.db2.gz GUQGIGCCWDYBRL-HNNXBMFYSA-N 1 2 292.383 1.373 20 30 CDEDLO Cc1nc(N[C@H]2CN(C(=O)C#CC(C)C)C[C@@H]2C)cc[nH+]1 ZINC001112314073 937296684 /nfs/dbraw/zinc/29/66/84/937296684.db2.gz AYXTVVDPCAKQQX-JSGCOSHPSA-N 1 2 286.379 1.703 20 30 CDEDLO C=C[C@@](C)(O)C[N@@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001252556388 929212359 /nfs/dbraw/zinc/21/23/59/929212359.db2.gz BYXCYUBTATUMLX-AXTSPUMRSA-N 1 2 251.248 1.327 20 30 CDEDLO C=C[C@@](C)(O)C[N@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001252556388 929212364 /nfs/dbraw/zinc/21/23/64/929212364.db2.gz BYXCYUBTATUMLX-AXTSPUMRSA-N 1 2 251.248 1.327 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H](C)C(C)C)CC1 ZINC001112695960 929339206 /nfs/dbraw/zinc/33/92/06/929339206.db2.gz HSOJOOLOTCYLKJ-AWEZNQCLSA-N 1 2 250.386 1.836 20 30 CDEDLO C#CCCCCC(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001112775490 929416005 /nfs/dbraw/zinc/41/60/05/929416005.db2.gz YIEYEYQPIVIZBC-UHFFFAOYSA-N 1 2 292.423 1.751 20 30 CDEDLO CC(C)C#CC(=O)N1CC[NH+](CCOCC(C)C)CC1 ZINC001112833117 929469017 /nfs/dbraw/zinc/46/90/17/929469017.db2.gz IEYFMHLHNVIYHC-UHFFFAOYSA-N 1 2 280.412 1.463 20 30 CDEDLO C=C(C)C[C@H](CO)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000883005987 930120865 /nfs/dbraw/zinc/12/08/65/930120865.db2.gz FXMBLGRQWHEVCV-GFCCVEGCSA-N 1 2 278.356 1.052 20 30 CDEDLO C=C(C)C[C@H](CO)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000883005987 930120872 /nfs/dbraw/zinc/12/08/72/930120872.db2.gz FXMBLGRQWHEVCV-GFCCVEGCSA-N 1 2 278.356 1.052 20 30 CDEDLO C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)Nc1ncccc1C#N ZINC001115767058 937419571 /nfs/dbraw/zinc/41/95/71/937419571.db2.gz XMBJWGHTMZNKTI-GFCCVEGCSA-N 1 2 298.350 1.109 20 30 CDEDLO COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC#N ZINC001274032077 931133404 /nfs/dbraw/zinc/13/34/04/931133404.db2.gz GVYMYDCJVJLOGT-CHWSQXEVSA-N 1 2 279.384 1.390 20 30 CDEDLO COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC#N ZINC001274032077 931133408 /nfs/dbraw/zinc/13/34/08/931133408.db2.gz GVYMYDCJVJLOGT-CHWSQXEVSA-N 1 2 279.384 1.390 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OCC ZINC001144078172 931649428 /nfs/dbraw/zinc/64/94/28/931649428.db2.gz WLMRTJAIFRNSDU-LBPRGKRZSA-N 1 2 293.367 1.602 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OCC ZINC001144078172 931649432 /nfs/dbraw/zinc/64/94/32/931649432.db2.gz WLMRTJAIFRNSDU-LBPRGKRZSA-N 1 2 293.367 1.602 20 30 CDEDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cncc(C#N)c2)C1 ZINC001144084823 931653121 /nfs/dbraw/zinc/65/31/21/931653121.db2.gz OFJIWEOZZRECFL-CQSZACIVSA-N 1 2 272.352 1.444 20 30 CDEDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC001144084823 931653124 /nfs/dbraw/zinc/65/31/24/931653124.db2.gz OFJIWEOZZRECFL-CQSZACIVSA-N 1 2 272.352 1.444 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CC(=O)N(CC)C[C@H]2C)cc1 ZINC001144578929 931902184 /nfs/dbraw/zinc/90/21/84/931902184.db2.gz TUSDYNXHRKXHPA-CYBMUJFWSA-N 1 2 256.349 1.721 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CC(=O)N(CC)C[C@H]2C)cc1 ZINC001144578929 931902188 /nfs/dbraw/zinc/90/21/88/931902188.db2.gz TUSDYNXHRKXHPA-CYBMUJFWSA-N 1 2 256.349 1.721 20 30 CDEDLO C#Cc1ccc(C[NH+]2CC(N3CC[C@H](F)C3)C2)cc1 ZINC001144576988 931909302 /nfs/dbraw/zinc/90/93/02/931909302.db2.gz ZPXHCLXAXXKLON-HNNXBMFYSA-N 1 2 258.340 1.896 20 30 CDEDLO C#Cc1ccc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)cc1 ZINC001144576988 931909307 /nfs/dbraw/zinc/90/93/07/931909307.db2.gz ZPXHCLXAXXKLON-HNNXBMFYSA-N 1 2 258.340 1.896 20 30 CDEDLO C#Cc1ccc(CN2CC([N@H+]3CC[C@H](F)C3)C2)cc1 ZINC001144576988 931909311 /nfs/dbraw/zinc/90/93/11/931909311.db2.gz ZPXHCLXAXXKLON-HNNXBMFYSA-N 1 2 258.340 1.896 20 30 CDEDLO C#CCN(CC1CC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001117932895 937570346 /nfs/dbraw/zinc/57/03/46/937570346.db2.gz WBLXUHVVFDXWFG-CYBMUJFWSA-N 1 2 257.337 1.317 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C(F)F)C1 ZINC001148984624 932820819 /nfs/dbraw/zinc/82/08/19/932820819.db2.gz BNXSFRAGWCVKKP-VIFPVBQESA-N 1 2 282.718 1.211 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C(F)F)C1 ZINC001148984624 932820823 /nfs/dbraw/zinc/82/08/23/932820823.db2.gz BNXSFRAGWCVKKP-VIFPVBQESA-N 1 2 282.718 1.211 20 30 CDEDLO C=C[C@@H](O)C[NH2+]CC(F)(F)C(F)(F)C(F)(F)F ZINC001253598516 935316420 /nfs/dbraw/zinc/31/64/20/935316420.db2.gz VHDDMNXZAIUHRT-RXMQYKEDSA-N 1 2 269.160 1.956 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001043834441 935845510 /nfs/dbraw/zinc/84/55/10/935845510.db2.gz LVBONJBHOPZDRV-CYBMUJFWSA-N 1 2 288.395 1.548 20 30 CDEDLO COc1ccc(CNC(=O)Cc2[nH]cc[nH+]2)cc1C#N ZINC001413468620 936072196 /nfs/dbraw/zinc/07/21/96/936072196.db2.gz GJHGPOVYNMHLGF-UHFFFAOYSA-N 1 2 270.292 1.149 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)NCc1ccc[nH+]c1N ZINC001413518596 936123389 /nfs/dbraw/zinc/12/33/89/936123389.db2.gz HHAFMDOYOYWFIO-UHFFFAOYSA-N 1 2 297.318 1.866 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cccn1)C2 ZINC001096806488 936221557 /nfs/dbraw/zinc/22/15/57/936221557.db2.gz DNHUPMSHGSUTST-UPJWGTAASA-N 1 2 294.786 1.357 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cccn1)C2 ZINC001096806488 936221560 /nfs/dbraw/zinc/22/15/60/936221560.db2.gz DNHUPMSHGSUTST-UPJWGTAASA-N 1 2 294.786 1.357 20 30 CDEDLO Cc1cnc([C@H](C)[NH2+]CCNC(=O)CSCC#N)o1 ZINC001123792390 936223476 /nfs/dbraw/zinc/22/34/76/936223476.db2.gz VLVCZYCGZQRPIZ-JTQLQIEISA-N 1 2 282.369 1.007 20 30 CDEDLO C#CCOCCN(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC001124051693 936276671 /nfs/dbraw/zinc/27/66/71/936276671.db2.gz RCCPCNKQYDLKKB-UHFFFAOYSA-N 1 2 297.358 1.653 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2nc(Cl)cc(C)c2C#N)C[NH2+]1 ZINC001156240312 938339988 /nfs/dbraw/zinc/33/99/88/938339988.db2.gz KSGYPPGKKQXEOJ-WPRPVWTQSA-N 1 2 294.742 1.231 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1cnc(Cl)c(N)c1 ZINC001156327987 938352882 /nfs/dbraw/zinc/35/28/82/938352882.db2.gz WTPSFRBTMZBUMU-QMMMGPOBSA-N 1 2 287.701 1.164 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)c1cc2cc(C#N)ccc2[nH]1 ZINC001156466117 938370790 /nfs/dbraw/zinc/37/07/90/938370790.db2.gz MVEGTUDCFWOSCP-UHFFFAOYSA-N 1 2 293.330 1.746 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc3cccc(F)n32)CC1 ZINC001156629422 938397538 /nfs/dbraw/zinc/39/75/38/938397538.db2.gz UWKHQHUNKYFSAO-UHFFFAOYSA-N 1 2 288.326 1.417 20 30 CDEDLO CCN(c1nnc(Cl)cc1C#N)C1C[NH+](C)C1 ZINC001157455489 938494411 /nfs/dbraw/zinc/49/44/11/938494411.db2.gz LYDSXQCDQPHRDC-UHFFFAOYSA-N 1 2 251.721 1.142 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Nc2nc(C)c(C#N)cc2Cl)C[NH2+]1 ZINC001158256172 938600491 /nfs/dbraw/zinc/60/04/91/938600491.db2.gz HNYKJSOVAAWZTE-KOLCDFICSA-N 1 2 294.742 1.231 20 30 CDEDLO CC(C)(S)CNc1cc(N2CCOCC2)nc[nH+]1 ZINC001159263915 938716231 /nfs/dbraw/zinc/71/62/31/938716231.db2.gz IILRCLNDFINUMP-UHFFFAOYSA-N 1 2 268.386 1.434 20 30 CDEDLO CC(C)(S)CNc1cc(N2CCOCC2)[nH+]cn1 ZINC001159263915 938716232 /nfs/dbraw/zinc/71/62/32/938716232.db2.gz IILRCLNDFINUMP-UHFFFAOYSA-N 1 2 268.386 1.434 20 30 CDEDLO C[NH+]1CCN(c2nccnc2NC2=CC(=O)CCC2)CC1 ZINC001163453086 939271977 /nfs/dbraw/zinc/27/19/77/939271977.db2.gz PYXCMGZDGKUODY-UHFFFAOYSA-N 1 2 287.367 1.277 20 30 CDEDLO COc1nc(N2CC[NH2+]C[C@H]2C#N)ccc1Cl ZINC001164653035 939502570 /nfs/dbraw/zinc/50/25/70/939502570.db2.gz ZNEUYZBNDKVGJA-MRVPVSSYSA-N 1 2 252.705 1.045 20 30 CDEDLO CN(C)C(=O)[C@H]1CC12CCN(c1cc(CC#N)cc[nH+]1)CC2 ZINC001166133804 939594637 /nfs/dbraw/zinc/59/46/37/939594637.db2.gz IWTJXNUSYNKNMU-CQSZACIVSA-N 1 2 298.390 1.842 20 30 CDEDLO Cc1nc(-n2cncn2)cc(N2CCC[C@H](CC#N)C2)[nH+]1 ZINC001166741185 939634068 /nfs/dbraw/zinc/63/40/68/939634068.db2.gz KGAASPDBLNHGFL-GFCCVEGCSA-N 1 2 283.339 1.496 20 30 CDEDLO Cn1ncc2c1CN(c1[nH+]ccc3[nH]cc(C#N)c31)C2 ZINC001166762764 939637553 /nfs/dbraw/zinc/63/75/53/939637553.db2.gz VCFFTCPSOCEURI-UHFFFAOYSA-N 1 2 264.292 1.688 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cncc(Br)c2)CC1 ZINC001206126134 939983737 /nfs/dbraw/zinc/98/37/37/939983737.db2.gz PVEMOEBPDVGOOU-UHFFFAOYSA-N 1 2 294.196 1.595 20 30 CDEDLO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[N@@H+]1CC[C@H](C#N)C1 ZINC001208982257 940417896 /nfs/dbraw/zinc/41/78/96/940417896.db2.gz PSZDKQLQJPLORW-OLZOCXBDSA-N 1 2 295.383 1.468 20 30 CDEDLO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[N@H+]1CC[C@H](C#N)C1 ZINC001208982257 940417898 /nfs/dbraw/zinc/41/78/98/940417898.db2.gz PSZDKQLQJPLORW-OLZOCXBDSA-N 1 2 295.383 1.468 20 30 CDEDLO C#Cc1cc(Nc2ccnc(OC)c2OC)cc[nH+]1 ZINC001211084613 940729746 /nfs/dbraw/zinc/72/97/46/940729746.db2.gz JKCMNXRYLOMMCY-UHFFFAOYSA-N 1 2 255.277 1.641 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@](C)(CC)CCC)[C@H](OC)C1 ZINC001213622865 940780474 /nfs/dbraw/zinc/78/04/74/940780474.db2.gz MATJDFHJTALKGB-FMKPAKJESA-N 1 2 280.412 1.651 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@](C)(CC)CCC)[C@H](OC)C1 ZINC001213622865 940780476 /nfs/dbraw/zinc/78/04/76/940780476.db2.gz MATJDFHJTALKGB-FMKPAKJESA-N 1 2 280.412 1.651 20 30 CDEDLO C#Cc1cc(Nc2cncc(N3CCOCC3)c2)cc[nH+]1 ZINC001216627607 940956053 /nfs/dbraw/zinc/95/60/53/940956053.db2.gz NRJHPFYAMLCSBQ-UHFFFAOYSA-N 1 2 280.331 1.460 20 30 CDEDLO C=C1CC[NH2+]C[C@H]1Oc1[nH]c(=O)nc2c(OC)cccc21 ZINC001218210466 941044377 /nfs/dbraw/zinc/04/43/77/941044377.db2.gz DAGKGLZMICDNOY-GFCCVEGCSA-N 1 2 287.319 1.641 20 30 CDEDLO C=C[C@H](C(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O)c1ccccc1 ZINC001221048192 941494784 /nfs/dbraw/zinc/49/47/84/941494784.db2.gz IPOWKZAYQQPJMG-ZNMIVQPWSA-N 1 2 292.354 1.087 20 30 CDEDLO C=C[C@H](C(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O)c1ccccc1 ZINC001221048192 941494786 /nfs/dbraw/zinc/49/47/86/941494786.db2.gz IPOWKZAYQQPJMG-ZNMIVQPWSA-N 1 2 292.354 1.087 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)OCC)[C@@H]2C1 ZINC001221304697 941515201 /nfs/dbraw/zinc/51/52/01/941515201.db2.gz HJSUGFKXNAPXOP-JHJVBQTASA-N 1 2 286.803 1.697 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)OCC)[C@@H]2C1 ZINC001221304697 941515203 /nfs/dbraw/zinc/51/52/03/941515203.db2.gz HJSUGFKXNAPXOP-JHJVBQTASA-N 1 2 286.803 1.697 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2ccc(C#N)c(F)c2F)C1 ZINC001226016938 941941705 /nfs/dbraw/zinc/94/17/05/941941705.db2.gz FCPNQXSXRMMGKM-SNVBAGLBSA-N 1 2 268.263 1.546 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2ccc(C#N)c(F)c2F)C1 ZINC001226016938 941941708 /nfs/dbraw/zinc/94/17/08/941941708.db2.gz FCPNQXSXRMMGKM-SNVBAGLBSA-N 1 2 268.263 1.546 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001227479780 942180150 /nfs/dbraw/zinc/18/01/50/942180150.db2.gz KJZQVCHQGKNAOQ-LSVRBPJHSA-N 1 2 276.292 1.586 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001227479780 942180154 /nfs/dbraw/zinc/18/01/54/942180154.db2.gz KJZQVCHQGKNAOQ-LSVRBPJHSA-N 1 2 276.292 1.586 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3n[nH]c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228525180 942331430 /nfs/dbraw/zinc/33/14/30/942331430.db2.gz WSEZNSACKOPYBB-UBYSCORNSA-N 1 2 271.320 1.554 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3n[nH]c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228525180 942331434 /nfs/dbraw/zinc/33/14/34/942331434.db2.gz WSEZNSACKOPYBB-UBYSCORNSA-N 1 2 271.320 1.554 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2ncnc3ccc(C#N)cc32)C1 ZINC001229103828 942419757 /nfs/dbraw/zinc/41/97/57/942419757.db2.gz IBPRMJDCFHPRHT-GFCCVEGCSA-N 1 2 284.319 1.211 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2ncnc3ccc(C#N)cc32)C1 ZINC001229103828 942419760 /nfs/dbraw/zinc/41/97/60/942419760.db2.gz IBPRMJDCFHPRHT-GFCCVEGCSA-N 1 2 284.319 1.211 20 30 CDEDLO Cc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC001230146035 942587052 /nfs/dbraw/zinc/58/70/52/942587052.db2.gz KFAZSHSHQBQEFW-HJTUNCCVSA-N 1 2 290.319 1.894 20 30 CDEDLO Cc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001230146035 942587058 /nfs/dbraw/zinc/58/70/58/942587058.db2.gz KFAZSHSHQBQEFW-HJTUNCCVSA-N 1 2 290.319 1.894 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC=CCC1 ZINC001230734411 942686882 /nfs/dbraw/zinc/68/68/82/942686882.db2.gz DIWFSCCBOKRJIG-HOTGVXAUSA-N 1 2 290.407 1.525 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC=CCC1 ZINC001230734411 942686885 /nfs/dbraw/zinc/68/68/85/942686885.db2.gz DIWFSCCBOKRJIG-HOTGVXAUSA-N 1 2 290.407 1.525 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)CSCCC ZINC001230948853 942739596 /nfs/dbraw/zinc/73/95/96/942739596.db2.gz QSVFMHRMCNBHSF-ZDUSSCGKSA-N 1 2 268.426 1.686 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)CSCCC ZINC001230948853 942739599 /nfs/dbraw/zinc/73/95/99/942739599.db2.gz QSVFMHRMCNBHSF-ZDUSSCGKSA-N 1 2 268.426 1.686 20 30 CDEDLO C=C(C)C(=O)Nc1ccc(OC[C@H]2C[N@H+](C)CCO2)cc1 ZINC001231319022 942853909 /nfs/dbraw/zinc/85/39/09/942853909.db2.gz ZMJNFZYEUPRYTC-OAHLLOKOSA-N 1 2 290.363 1.911 20 30 CDEDLO C=C(C)C(=O)Nc1ccc(OC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001231319022 942853912 /nfs/dbraw/zinc/85/39/12/942853912.db2.gz ZMJNFZYEUPRYTC-OAHLLOKOSA-N 1 2 290.363 1.911 20 30 CDEDLO C#Cc1cccc(C[NH+]2CCN(C(=O)OC)CC2)c1 ZINC001231655414 942961552 /nfs/dbraw/zinc/96/15/52/942961552.db2.gz CLKYVMKFOFUKFC-UHFFFAOYSA-N 1 2 258.321 1.552 20 30 CDEDLO Cc1ccc(N2CC[NH+](Cc3cccc(C#N)n3)CC2)nc1 ZINC001232924602 943434066 /nfs/dbraw/zinc/43/40/66/943434066.db2.gz MZJHICHFCCROJB-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO C[C@@H]1C[NH+](C2CN(Cc3cccc(C#N)n3)C2)C[C@@H](C)O1 ZINC001232926916 943437891 /nfs/dbraw/zinc/43/78/91/943437891.db2.gz INCCELSACVZTPE-CHWSQXEVSA-N 1 2 286.379 1.247 20 30 CDEDLO COc1ccc(O[C@H]2CC[N@H+](Cc3[nH]ccc3C#N)C2)nc1 ZINC001233049850 943477278 /nfs/dbraw/zinc/47/72/78/943477278.db2.gz VAHFOBOKHHTCEQ-AWEZNQCLSA-N 1 2 298.346 1.943 20 30 CDEDLO COc1ccc(O[C@H]2CC[N@@H+](Cc3[nH]ccc3C#N)C2)nc1 ZINC001233049850 943477282 /nfs/dbraw/zinc/47/72/82/943477282.db2.gz VAHFOBOKHHTCEQ-AWEZNQCLSA-N 1 2 298.346 1.943 20 30 CDEDLO Cc1nccnc1C[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234187502 943768848 /nfs/dbraw/zinc/76/88/48/943768848.db2.gz ZDLUADVZWVHJLP-OAHLLOKOSA-N 1 2 298.390 1.231 20 30 CDEDLO Cc1nccnc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234187502 943768851 /nfs/dbraw/zinc/76/88/51/943768851.db2.gz ZDLUADVZWVHJLP-OAHLLOKOSA-N 1 2 298.390 1.231 20 30 CDEDLO COc1cc(O[C@@H](C)C[NH+]2CCOCC2)ccc1C#N ZINC001234500198 943866439 /nfs/dbraw/zinc/86/64/39/943866439.db2.gz WMUQPJYESZOXQO-LBPRGKRZSA-N 1 2 276.336 1.666 20 30 CDEDLO COC(=O)[C@H]([NH3+])c1ccc(-c2cncc(C#N)c2)cc1 ZINC001242275287 946651804 /nfs/dbraw/zinc/65/18/04/946651804.db2.gz ZUISBIBRGQNIQE-CQSZACIVSA-N 1 2 267.288 1.793 20 30 CDEDLO C[C@@H]1CC(=O)C=C(c2ccnc(N3CC[NH+](C)CC3)n2)C1 ZINC001242741245 946864678 /nfs/dbraw/zinc/86/46/78/946864678.db2.gz XVQXRFMSXJSTFY-LBPRGKRZSA-N 1 2 286.379 1.611 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1cccnc1N(C)S(C)(=O)=O ZINC001255157241 947757586 /nfs/dbraw/zinc/75/75/86/947757586.db2.gz YYEUCUVLNVTXHD-GFCCVEGCSA-N 1 2 296.396 1.259 20 30 CDEDLO CC[C@@H](CC#N)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001255167580 947762442 /nfs/dbraw/zinc/76/24/42/947762442.db2.gz CTFPMFTYWFZOIJ-LBPRGKRZSA-N 1 2 285.351 1.970 20 30 CDEDLO C=CCCCNC(=S)NCC[N@H+]1CCOC[C@@H]1C ZINC001247777515 948769225 /nfs/dbraw/zinc/76/92/25/948769225.db2.gz GUBFXOUGSUPSKC-LBPRGKRZSA-N 1 2 271.430 1.137 20 30 CDEDLO C=CCCCNC(=S)NCC[N@@H+]1CCOC[C@@H]1C ZINC001247777515 948769233 /nfs/dbraw/zinc/76/92/33/948769233.db2.gz GUBFXOUGSUPSKC-LBPRGKRZSA-N 1 2 271.430 1.137 20 30 CDEDLO C[N@H+](Cc1cnn2ccc(C#N)cc12)Cc1cncnc1 ZINC001249125282 949406481 /nfs/dbraw/zinc/40/64/81/949406481.db2.gz QLFZVHIDPXWQHW-UHFFFAOYSA-N 1 2 278.319 1.628 20 30 CDEDLO C[N@@H+](Cc1cnn2ccc(C#N)cc12)Cc1cncnc1 ZINC001249125282 949406497 /nfs/dbraw/zinc/40/64/97/949406497.db2.gz QLFZVHIDPXWQHW-UHFFFAOYSA-N 1 2 278.319 1.628 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnc(C)nc2C(F)(F)F)CC1 ZINC001249400132 949556424 /nfs/dbraw/zinc/55/64/24/949556424.db2.gz JXUAPJDETJNQSJ-UHFFFAOYSA-N 1 2 298.312 1.555 20 30 CDEDLO C#CCOC[C@@H](O)CNc1ccc(-n2cc[nH+]c2)cc1 ZINC001251818860 950843773 /nfs/dbraw/zinc/84/37/73/950843773.db2.gz AQWSJYMYBHHICS-HNNXBMFYSA-N 1 2 271.320 1.295 20 30 CDEDLO C=CCOC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001251993967 951034217 /nfs/dbraw/zinc/03/42/17/951034217.db2.gz XGBHXOITDRPFGH-HNNXBMFYSA-N 1 2 290.363 1.660 20 30 CDEDLO C=CCOC[C@H](O)C[NH2+]C1(C(=O)OC)CCCCC1 ZINC001252484345 951346563 /nfs/dbraw/zinc/34/65/63/951346563.db2.gz BTLRRLITIJUKJV-GFCCVEGCSA-N 1 2 271.357 1.015 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1Cc2nnn(CC)c2[C@@H](COC)C1 ZINC001252594697 951486706 /nfs/dbraw/zinc/48/67/06/951486706.db2.gz APPYMKVLAQCYHB-OLZOCXBDSA-N 1 2 294.399 1.171 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1Cc2nnn(CC)c2[C@@H](COC)C1 ZINC001252594697 951486711 /nfs/dbraw/zinc/48/67/11/951486711.db2.gz APPYMKVLAQCYHB-OLZOCXBDSA-N 1 2 294.399 1.171 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001252603265 951497743 /nfs/dbraw/zinc/49/77/43/951497743.db2.gz RLBFBONAHKPGII-XWLWVQCSSA-N 1 2 265.275 1.718 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001252603265 951497749 /nfs/dbraw/zinc/49/77/49/951497749.db2.gz RLBFBONAHKPGII-XWLWVQCSSA-N 1 2 265.275 1.718 20 30 CDEDLO C=CCC[C@@H](O)C[NH2+]C1(C(=O)OCC)CCOCC1 ZINC001252611500 951505550 /nfs/dbraw/zinc/50/55/50/951505550.db2.gz CABSITATPLISGI-GFCCVEGCSA-N 1 2 271.357 1.015 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH2+]C[C@@H](O)COC(C)C)[C@@H](C)CC ZINC001252690795 951585048 /nfs/dbraw/zinc/58/50/48/951585048.db2.gz HMMZGNGSVRRVGL-MJBXVCDLSA-N 1 2 287.400 1.506 20 30 CDEDLO COc1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C#N)C2)c1 ZINC001253958327 952162950 /nfs/dbraw/zinc/16/29/50/952162950.db2.gz ZBPYIHOZQAYFMX-QWHCGFSZSA-N 1 2 276.336 1.280 20 30 CDEDLO COc1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](C#N)C2)c1 ZINC001253958327 952162952 /nfs/dbraw/zinc/16/29/52/952162952.db2.gz ZBPYIHOZQAYFMX-QWHCGFSZSA-N 1 2 276.336 1.280 20 30 CDEDLO CCc1[nH]c(CNc2ccc(C(=O)OC)nc2C#N)c[nH+]1 ZINC001364248714 954382731 /nfs/dbraw/zinc/38/27/31/954382731.db2.gz PVEBMLVFBQGYNM-UHFFFAOYSA-N 1 2 285.307 1.637 20 30 CDEDLO CCc1[nH]cc(CNc2ccc(C(=O)OC)nc2C#N)[nH+]1 ZINC001364248714 954382743 /nfs/dbraw/zinc/38/27/43/954382743.db2.gz PVEBMLVFBQGYNM-UHFFFAOYSA-N 1 2 285.307 1.637 20 30 CDEDLO N#Cc1cccc([C@@H](O)C[NH+]2CCN(CC(F)F)CC2)c1 ZINC001364325266 954466034 /nfs/dbraw/zinc/46/60/34/954466034.db2.gz ZMZKXKAEFHZBSE-AWEZNQCLSA-N 1 2 295.333 1.474 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(C2CC2)no1 ZINC001492438068 955889971 /nfs/dbraw/zinc/88/99/71/955889971.db2.gz RPLWWDLZAIRRSF-UHFFFAOYSA-N 1 2 283.759 1.966 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(C2CC2)no1 ZINC001492438068 955889980 /nfs/dbraw/zinc/88/99/80/955889980.db2.gz RPLWWDLZAIRRSF-UHFFFAOYSA-N 1 2 283.759 1.966 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@H](C)C#N)[C@H](C)c1nc(C)no1 ZINC001366709826 957132000 /nfs/dbraw/zinc/13/20/00/957132000.db2.gz WINOYMVMODQCIT-GHMZBOCLSA-N 1 2 293.371 1.427 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@H](C)C#N)[C@H](C)c1nc(C)no1 ZINC001366709826 957132001 /nfs/dbraw/zinc/13/20/01/957132001.db2.gz WINOYMVMODQCIT-GHMZBOCLSA-N 1 2 293.371 1.427 20 30 CDEDLO C=CCN(C(=O)NCC[N@@H+]1CCOC[C@@H]1C)C(C)C ZINC001318287648 958016357 /nfs/dbraw/zinc/01/63/57/958016357.db2.gz KILFNJDHOXHUQQ-ZDUSSCGKSA-N 1 2 269.389 1.313 20 30 CDEDLO C=CCN(C(=O)NCC[N@H+]1CCOC[C@@H]1C)C(C)C ZINC001318287648 958016367 /nfs/dbraw/zinc/01/63/67/958016367.db2.gz KILFNJDHOXHUQQ-ZDUSSCGKSA-N 1 2 269.389 1.313 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N[C@H](C)CC)C1 ZINC001318338715 958044102 /nfs/dbraw/zinc/04/41/02/958044102.db2.gz WNAJPOOVXMBONE-ZIAGYGMSSA-N 1 2 295.427 1.448 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)N[C@H](C)CC)C1 ZINC001318338715 958044121 /nfs/dbraw/zinc/04/41/21/958044121.db2.gz WNAJPOOVXMBONE-ZIAGYGMSSA-N 1 2 295.427 1.448 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CCc2nnc[nH]2)C1 ZINC001494811765 972314951 /nfs/dbraw/zinc/31/49/51/972314951.db2.gz BUZSSPWDTNLRNG-NSHDSACASA-N 1 2 297.790 1.023 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CCc2nnc[nH]2)C1 ZINC001494811765 972314957 /nfs/dbraw/zinc/31/49/57/972314957.db2.gz BUZSSPWDTNLRNG-NSHDSACASA-N 1 2 297.790 1.023 20 30 CDEDLO C=CCn1cnn(C[N@H+](C)CC2CCOCC2)c1=S ZINC001319671998 958681065 /nfs/dbraw/zinc/68/10/65/958681065.db2.gz VOXLEAZLCDDKOW-UHFFFAOYSA-N 1 2 282.413 1.916 20 30 CDEDLO C=CCn1cnn(C[N@@H+](C)CC2CCOCC2)c1=S ZINC001319671998 958681071 /nfs/dbraw/zinc/68/10/71/958681071.db2.gz VOXLEAZLCDDKOW-UHFFFAOYSA-N 1 2 282.413 1.916 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C1(C)CCOCC1 ZINC001368985153 959361228 /nfs/dbraw/zinc/36/12/28/959361228.db2.gz DSLJWPWPQNATAX-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C1(C)CCOCC1 ZINC001368985153 959361242 /nfs/dbraw/zinc/36/12/42/959361242.db2.gz DSLJWPWPQNATAX-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO C#CC[N@H+](CC1CC1)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC001335590303 959913774 /nfs/dbraw/zinc/91/37/74/959913774.db2.gz NQUPTQMSOILQAJ-OAHLLOKOSA-N 1 2 275.352 1.010 20 30 CDEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC001335590303 959913791 /nfs/dbraw/zinc/91/37/91/959913791.db2.gz NQUPTQMSOILQAJ-OAHLLOKOSA-N 1 2 275.352 1.010 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(COCC)CC2)C1 ZINC001369979816 959946347 /nfs/dbraw/zinc/94/63/47/959946347.db2.gz JJDLTDRCQCTBQL-LBPRGKRZSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(COCC)CC2)C1 ZINC001369979816 959946352 /nfs/dbraw/zinc/94/63/52/959946352.db2.gz JJDLTDRCQCTBQL-LBPRGKRZSA-N 1 2 286.803 1.746 20 30 CDEDLO C=CCCC[C@H]([NH3+])c1nc([C@@H]2CCS(=O)(=O)C2)no1 ZINC001336299923 960293352 /nfs/dbraw/zinc/29/33/52/960293352.db2.gz LLIRFZBOSCODKR-ZJUUUORDSA-N 1 2 285.369 1.328 20 30 CDEDLO CCN(CC[NH2+][C@@H](C)c1nc(C)no1)C(=O)[C@H](C)C#N ZINC001420237949 962618295 /nfs/dbraw/zinc/61/82/95/962618295.db2.gz LMZAJZPITBLHMN-ZJUUUORDSA-N 1 2 279.344 1.037 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc(CC)n[nH]1)C1CC1 ZINC001420636401 963145619 /nfs/dbraw/zinc/14/56/19/963145619.db2.gz ZYTXSIPUUOYJEI-UHFFFAOYSA-N 1 2 296.802 1.919 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc(CC)n[nH]1)C1CC1 ZINC001420636401 963145624 /nfs/dbraw/zinc/14/56/24/963145624.db2.gz ZYTXSIPUUOYJEI-UHFFFAOYSA-N 1 2 296.802 1.919 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1[nH]c(=O)[nH]c1C)C1CC1 ZINC001420653954 963161942 /nfs/dbraw/zinc/16/19/42/963161942.db2.gz PKZRDRHSTYMBLL-UHFFFAOYSA-N 1 2 298.774 1.370 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1[nH]c(=O)[nH]c1C)C1CC1 ZINC001420653954 963161948 /nfs/dbraw/zinc/16/19/48/963161948.db2.gz PKZRDRHSTYMBLL-UHFFFAOYSA-N 1 2 298.774 1.370 20 30 CDEDLO C#CCN(C)c1nnc([C@H]2CCC[N@@H+]2C)n1CC(=C)C ZINC001346180247 964972468 /nfs/dbraw/zinc/97/24/68/964972468.db2.gz YHIXICQGJYCBTD-CYBMUJFWSA-N 1 2 273.384 1.690 20 30 CDEDLO C#CCN(C)c1nnc([C@H]2CCC[N@H+]2C)n1CC(=C)C ZINC001346180247 964972476 /nfs/dbraw/zinc/97/24/76/964972476.db2.gz YHIXICQGJYCBTD-CYBMUJFWSA-N 1 2 273.384 1.690 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1c(C)nn(C)c1C ZINC001349771309 966466051 /nfs/dbraw/zinc/46/60/51/966466051.db2.gz QSGAMGVNCKWGRS-LLVKDONJSA-N 1 2 263.345 1.257 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cnc(C)n1C ZINC001448082127 966989252 /nfs/dbraw/zinc/98/92/52/966989252.db2.gz SUOLOLYVQJQIBP-SNVBAGLBSA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cnc(C)n1C ZINC001448082127 966989257 /nfs/dbraw/zinc/98/92/57/966989257.db2.gz SUOLOLYVQJQIBP-SNVBAGLBSA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)OC ZINC001523812236 970759525 /nfs/dbraw/zinc/75/95/25/970759525.db2.gz KMJYVLPBJQFFJE-UHFFFAOYSA-N 1 2 276.344 1.176 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)COC ZINC001372533403 973001417 /nfs/dbraw/zinc/00/14/17/973001417.db2.gz NDOQWIJWVVVZGD-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)COC ZINC001372533403 973001427 /nfs/dbraw/zinc/00/14/27/973001427.db2.gz NDOQWIJWVVVZGD-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO CCN(CC[NH2+][C@H](C)c1nnc(C)o1)C(=O)[C@@H](C)C#N ZINC001497362988 973312160 /nfs/dbraw/zinc/31/21/60/973312160.db2.gz XFOUOEBVMAFATK-VHSXEESVSA-N 1 2 279.344 1.037 20 30 CDEDLO CCc1cnc(C[NH2+]C2(CNC(=O)[C@H](C)C#N)CC2)o1 ZINC001375401208 974368162 /nfs/dbraw/zinc/36/81/62/974368162.db2.gz CJAAHBVXWUNGDN-SNVBAGLBSA-N 1 2 276.340 1.135 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)Cc2ccn(C)n2)C1 ZINC001375824182 974490200 /nfs/dbraw/zinc/49/02/00/974490200.db2.gz MJEVTHMKNXDERO-CQSZACIVSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)Cc2ccn(C)n2)C1 ZINC001375824182 974490201 /nfs/dbraw/zinc/49/02/01/974490201.db2.gz MJEVTHMKNXDERO-CQSZACIVSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1conc1C ZINC001378124111 975252238 /nfs/dbraw/zinc/25/22/38/975252238.db2.gz RNEUGDGDWIHXBD-VIFPVBQESA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1conc1C ZINC001378124111 975252244 /nfs/dbraw/zinc/25/22/44/975252244.db2.gz RNEUGDGDWIHXBD-VIFPVBQESA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)Cc2cncs2)C1 ZINC001404894489 975531437 /nfs/dbraw/zinc/53/14/37/975531437.db2.gz XINZGUJQBODWCN-UHFFFAOYSA-N 1 2 285.800 1.486 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC[N@H+](C)Cc1cc(O)ccc1Cl ZINC001399436633 976487438 /nfs/dbraw/zinc/48/74/38/976487438.db2.gz LNCZPHUXRLMEQD-JTQLQIEISA-N 1 2 295.770 1.753 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](C)Cc1cc(O)ccc1Cl ZINC001399436633 976487444 /nfs/dbraw/zinc/48/74/44/976487444.db2.gz LNCZPHUXRLMEQD-JTQLQIEISA-N 1 2 295.770 1.753 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@H](C)c1cnn(C)c1 ZINC001399545988 976558479 /nfs/dbraw/zinc/55/84/79/976558479.db2.gz WKXQTLHXTWWILG-NSHDSACASA-N 1 2 298.818 1.714 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@H](C)c1cnn(C)c1 ZINC001399545988 976558486 /nfs/dbraw/zinc/55/84/86/976558486.db2.gz WKXQTLHXTWWILG-NSHDSACASA-N 1 2 298.818 1.714 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCc1cn[nH]c1 ZINC001403186093 976795081 /nfs/dbraw/zinc/79/50/81/976795081.db2.gz WBGPNLDPOJXWSU-LLVKDONJSA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCc1cn[nH]c1 ZINC001403186093 976795090 /nfs/dbraw/zinc/79/50/90/976795090.db2.gz WBGPNLDPOJXWSU-LLVKDONJSA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1nn(C)cc1C ZINC001403853226 977231536 /nfs/dbraw/zinc/23/15/36/977231536.db2.gz RBRJFXPAPFJCJS-UHFFFAOYSA-N 1 2 284.791 1.533 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1nn(C)cc1C ZINC001403853226 977231542 /nfs/dbraw/zinc/23/15/42/977231542.db2.gz RBRJFXPAPFJCJS-UHFFFAOYSA-N 1 2 284.791 1.533 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1nocc1C ZINC001392318827 977407347 /nfs/dbraw/zinc/40/73/47/977407347.db2.gz VWXYKAYBCSCAKC-UHFFFAOYSA-N 1 2 271.748 1.739 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1nocc1C ZINC001392318827 977407351 /nfs/dbraw/zinc/40/73/51/977407351.db2.gz VWXYKAYBCSCAKC-UHFFFAOYSA-N 1 2 271.748 1.739 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCc1ccn(C)n1 ZINC001392659079 977533669 /nfs/dbraw/zinc/53/36/69/977533669.db2.gz RXXIUDAWTDQMBB-LBPRGKRZSA-N 1 2 298.818 1.542 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCc1ccn(C)n1 ZINC001392659079 977533672 /nfs/dbraw/zinc/53/36/72/977533672.db2.gz RXXIUDAWTDQMBB-LBPRGKRZSA-N 1 2 298.818 1.542 20 30 CDEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nn(C)cc1Cl ZINC001132573968 1163381918 /nfs/dbraw/zinc/38/19/18/1163381918.db2.gz TZZYOULIURGWQP-GHMZBOCLSA-N 1 2 298.818 1.738 20 30 CDEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001132577288 1163384212 /nfs/dbraw/zinc/38/42/12/1163384212.db2.gz RWJJIQQLXCHIKQ-GHMZBOCLSA-N 1 2 280.372 1.296 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[NH2+]Cc1nonc1C ZINC001132667173 1163432328 /nfs/dbraw/zinc/43/23/28/1163432328.db2.gz FXOBWKQEYKCLQM-NSHDSACASA-N 1 2 266.345 1.186 20 30 CDEDLO C=CCC1(C(=O)NCC[NH2+]Cc2cnsn2)CCC1 ZINC001133392391 1163670290 /nfs/dbraw/zinc/67/02/90/1163670290.db2.gz UWWMRQZRRWHLOG-UHFFFAOYSA-N 1 2 280.397 1.490 20 30 CDEDLO N#CC1(C(=O)NCC[NH+]2Cc3ccccc3C2)CCOCC1 ZINC000609449967 342467721 /nfs/dbraw/zinc/46/77/21/342467721.db2.gz AVJKKCWVOBXDHT-UHFFFAOYSA-N 1 2 299.374 1.439 20 30 CDEDLO CNc1ccc(C#N)cc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000586818181 342471244 /nfs/dbraw/zinc/47/12/44/342471244.db2.gz MXWRBFOYLFVGEB-LBPRGKRZSA-N 1 2 295.346 1.998 20 30 CDEDLO CC(C)(CO)[NH+]1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000611516094 346807381 /nfs/dbraw/zinc/80/73/81/346807381.db2.gz SCMDWOLRRKAMML-UHFFFAOYSA-N 1 2 293.392 1.148 20 30 CDEDLO Cc1nsc(N2CC[NH+]([C@H]3CCCOC3)CC2)c1C#N ZINC000589286248 342502652 /nfs/dbraw/zinc/50/26/52/342502652.db2.gz MTIVKSSFUXMEAN-LBPRGKRZSA-N 1 2 292.408 1.624 20 30 CDEDLO Cc1cccn2cc(CNC(=O)c3cccc(C#N)n3)[nH+]c12 ZINC000589402107 342505141 /nfs/dbraw/zinc/50/51/41/342505141.db2.gz DOYYHLMBIHUIFH-UHFFFAOYSA-N 1 2 291.314 1.839 20 30 CDEDLO N#CCCN1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000601262671 342540115 /nfs/dbraw/zinc/54/01/15/342540115.db2.gz SAGLBNGGCBWJSJ-UHFFFAOYSA-N 1 2 286.383 1.112 20 30 CDEDLO C=CCOCC[NH+]1CCC(S(=O)(=O)CC)CC1 ZINC000339130028 398230049 /nfs/dbraw/zinc/23/00/49/398230049.db2.gz IULGUKXNDJIELO-UHFFFAOYSA-N 1 2 261.387 1.088 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000063086375 342580534 /nfs/dbraw/zinc/58/05/34/342580534.db2.gz CKKPZOCSTPEIEP-OCCSQVGLSA-N 1 2 273.336 1.532 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000063086375 342580535 /nfs/dbraw/zinc/58/05/35/342580535.db2.gz CKKPZOCSTPEIEP-OCCSQVGLSA-N 1 2 273.336 1.532 20 30 CDEDLO Cc1ccc(/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000493119643 342598003 /nfs/dbraw/zinc/59/80/03/342598003.db2.gz OOCIROBJYWFCBP-ZNFPLGDCSA-N 1 2 271.364 1.968 20 30 CDEDLO N#CC1(CC[N@H+]2CCOC[C@H]2CO)CCCCC1 ZINC000591033015 342613963 /nfs/dbraw/zinc/61/39/63/342613963.db2.gz SDJGWSHQRROPBR-CYBMUJFWSA-N 1 2 252.358 1.544 20 30 CDEDLO N#CC1(CC[N@@H+]2CCOC[C@H]2CO)CCCCC1 ZINC000591033015 342613964 /nfs/dbraw/zinc/61/39/64/342613964.db2.gz SDJGWSHQRROPBR-CYBMUJFWSA-N 1 2 252.358 1.544 20 30 CDEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000351632939 361825421 /nfs/dbraw/zinc/82/54/21/361825421.db2.gz LHEXBQNMCFEGGH-OLZOCXBDSA-N 1 2 265.357 1.002 20 30 CDEDLO Cc1cccc2nc(C[N@@H+]3CC[C@@](O)(CC#N)C3)cn21 ZINC000592146124 342673290 /nfs/dbraw/zinc/67/32/90/342673290.db2.gz DPWCOILZKNILAC-HNNXBMFYSA-N 1 2 270.336 1.493 20 30 CDEDLO Cc1cccc2nc(C[N@H+]3CC[C@@](O)(CC#N)C3)cn21 ZINC000592146124 342673291 /nfs/dbraw/zinc/67/32/91/342673291.db2.gz DPWCOILZKNILAC-HNNXBMFYSA-N 1 2 270.336 1.493 20 30 CDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146507 342673452 /nfs/dbraw/zinc/67/34/52/342673452.db2.gz COXFYDPKOGFYIP-IPYPFGDCSA-N 1 2 279.384 1.032 20 30 CDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146507 342673454 /nfs/dbraw/zinc/67/34/54/342673454.db2.gz COXFYDPKOGFYIP-IPYPFGDCSA-N 1 2 279.384 1.032 20 30 CDEDLO C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147124 342673695 /nfs/dbraw/zinc/67/36/95/342673695.db2.gz IOPMFKZCMNXJED-XJKSGUPXSA-N 1 2 287.363 1.388 20 30 CDEDLO C[C@@H](C(=O)N(C)c1ccccc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147124 342673697 /nfs/dbraw/zinc/67/36/97/342673697.db2.gz IOPMFKZCMNXJED-XJKSGUPXSA-N 1 2 287.363 1.388 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000592193459 342674910 /nfs/dbraw/zinc/67/49/10/342674910.db2.gz AJBJWQDMUSDRDF-OCCSQVGLSA-N 1 2 292.310 1.053 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000592193459 342674911 /nfs/dbraw/zinc/67/49/11/342674911.db2.gz AJBJWQDMUSDRDF-OCCSQVGLSA-N 1 2 292.310 1.053 20 30 CDEDLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149705 342668728 /nfs/dbraw/zinc/66/87/28/342668728.db2.gz UVPWWGYGTSLWQJ-BDJLRTHQSA-N 1 2 298.346 1.747 20 30 CDEDLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149705 342668729 /nfs/dbraw/zinc/66/87/29/342668729.db2.gz UVPWWGYGTSLWQJ-BDJLRTHQSA-N 1 2 298.346 1.747 20 30 CDEDLO C=CCCCCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000351695599 361868155 /nfs/dbraw/zinc/86/81/55/361868155.db2.gz XQSRRPISUCMTBU-UHFFFAOYSA-N 1 2 283.416 1.753 20 30 CDEDLO CC[C@H]1COC(C)(C)C[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000593058009 342760215 /nfs/dbraw/zinc/76/02/15/342760215.db2.gz ZSFLMRAEBJOSEC-XJKSGUPXSA-N 1 2 293.411 1.684 20 30 CDEDLO CC[C@H]1COC(C)(C)C[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000593058009 342760216 /nfs/dbraw/zinc/76/02/16/342760216.db2.gz ZSFLMRAEBJOSEC-XJKSGUPXSA-N 1 2 293.411 1.684 20 30 CDEDLO C[C@@H](CC(=O)N1CC[C@](F)(C#N)C1)n1cc[nH+]c1 ZINC000593135802 342772978 /nfs/dbraw/zinc/77/29/78/342772978.db2.gz HODSBCFVQCBFQO-JQWIXIFHSA-N 1 2 250.277 1.298 20 30 CDEDLO C[C@@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccncc1 ZINC000593154365 342774080 /nfs/dbraw/zinc/77/40/80/342774080.db2.gz JQJJZCWPGVBOQV-WFASDCNBSA-N 1 2 274.368 1.535 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(Cl)cn1 ZINC000593154635 342774131 /nfs/dbraw/zinc/77/41/31/342774131.db2.gz PMAMLJZICHWTAJ-GFCCVEGCSA-N 1 2 266.732 1.309 20 30 CDEDLO COC1CCC(C(=O)N[C@@](C)(C#N)C[NH+](C)C)CC1 ZINC000593154953 342774491 /nfs/dbraw/zinc/77/44/91/342774491.db2.gz QBFYWJISIPOSKM-YIZWMMSDSA-N 1 2 267.373 1.152 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000593735390 342830867 /nfs/dbraw/zinc/83/08/67/342830867.db2.gz XPOXOYVLVHUQFW-GHMZBOCLSA-N 1 2 260.341 1.879 20 30 CDEDLO C=CCNC(=O)c1ccc(NCCc2cccc(C)[nH+]2)nc1 ZINC000359812774 539111238 /nfs/dbraw/zinc/11/12/38/539111238.db2.gz HCZBSAIERIIIAN-UHFFFAOYSA-N 1 2 296.374 1.777 20 30 CDEDLO N#CCc1cccc(S(=O)(=O)N2CCc3c[nH+]ccc32)c1 ZINC000619489555 349745547 /nfs/dbraw/zinc/74/55/47/349745547.db2.gz OVHUUJWODIYVCU-UHFFFAOYSA-N 1 2 299.355 1.899 20 30 CDEDLO C#CCN(CC#C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000075400405 342310780 /nfs/dbraw/zinc/31/07/80/342310780.db2.gz NDMBYRDNMALNPV-UHFFFAOYSA-N 1 2 277.327 1.640 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@@H](C)CC1CCC1)C(=O)OC ZINC000619509445 349780904 /nfs/dbraw/zinc/78/09/04/349780904.db2.gz RUCJLCKWRDMYED-WCQYABFASA-N 1 2 255.358 1.899 20 30 CDEDLO C#CC[NH+](CC#C)C[C@@H](O)COc1cccc(C(C)=O)c1 ZINC000076185235 342319921 /nfs/dbraw/zinc/31/99/21/342319921.db2.gz ASBOTEAMIPZBLF-MRXNPFEDSA-N 1 2 285.343 1.197 20 30 CDEDLO CO[C@H](C)c1noc(C[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595613444 343109017 /nfs/dbraw/zinc/10/90/17/343109017.db2.gz CTKLATAZAWDLOA-GHMZBOCLSA-N 1 2 264.329 1.903 20 30 CDEDLO CO[C@H](C)c1noc(C[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595613444 343109020 /nfs/dbraw/zinc/10/90/20/343109020.db2.gz CTKLATAZAWDLOA-GHMZBOCLSA-N 1 2 264.329 1.903 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442819310 362093777 /nfs/dbraw/zinc/09/37/77/362093777.db2.gz ATKLILDYJKAQNQ-NHYWBVRUSA-N 1 2 295.383 1.068 20 30 CDEDLO CCc1nc(C#N)cc(N2CC[NH+](Cc3ccco3)CC2)n1 ZINC000596061535 343223442 /nfs/dbraw/zinc/22/34/42/343223442.db2.gz BDWJRBVLMHFXPX-UHFFFAOYSA-N 1 2 297.362 1.826 20 30 CDEDLO N#Cc1cncc(NCC2CC[NH+](CC(F)F)CC2)n1 ZINC000596239087 343283876 /nfs/dbraw/zinc/28/38/76/343283876.db2.gz OPOCHAJDBBZALF-UHFFFAOYSA-N 1 2 281.310 1.737 20 30 CDEDLO Cn1ncc(C#N)c1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000596171516 343259297 /nfs/dbraw/zinc/25/92/97/343259297.db2.gz DOBJZSFEVPJNAS-LBPRGKRZSA-N 1 2 268.324 1.378 20 30 CDEDLO N#CCCN(CCC#N)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000596894605 343410593 /nfs/dbraw/zinc/41/05/93/343410593.db2.gz OTNLNFSIUKPZOQ-NSHDSACASA-N 1 2 271.324 1.171 20 30 CDEDLO N#CCCN(CCC#N)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000596894605 343410595 /nfs/dbraw/zinc/41/05/95/343410595.db2.gz OTNLNFSIUKPZOQ-NSHDSACASA-N 1 2 271.324 1.171 20 30 CDEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1(C#N)CCC1 ZINC000596911188 343415072 /nfs/dbraw/zinc/41/50/72/343415072.db2.gz NPOYHEVYJZSRGJ-GHMZBOCLSA-N 1 2 258.325 1.428 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1nncn1-c1ccccc1 ZINC000444694880 362198567 /nfs/dbraw/zinc/19/85/67/362198567.db2.gz KNDXTUDJTGSDFX-UHFFFAOYSA-N 1 2 272.352 1.902 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1nncn1-c1ccccc1 ZINC000444694880 362198573 /nfs/dbraw/zinc/19/85/73/362198573.db2.gz KNDXTUDJTGSDFX-UHFFFAOYSA-N 1 2 272.352 1.902 20 30 CDEDLO N#Cc1ccc2c(c1)CCN2C(=O)CCc1c[nH+]c[nH]1 ZINC000597771391 343630728 /nfs/dbraw/zinc/63/07/28/343630728.db2.gz GTHOHGWLIHVAJV-UHFFFAOYSA-N 1 2 266.304 1.803 20 30 CDEDLO N#Cc1ccc2c(c1)CCN2C(=O)CCc1c[nH]c[nH+]1 ZINC000597771391 343630729 /nfs/dbraw/zinc/63/07/29/343630729.db2.gz GTHOHGWLIHVAJV-UHFFFAOYSA-N 1 2 266.304 1.803 20 30 CDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2cccc(C#N)c2)C[C@H]1C ZINC000250196738 349819594 /nfs/dbraw/zinc/81/95/94/349819594.db2.gz AYZRHAZKWVDZQC-GFCCVEGCSA-N 1 2 293.392 1.273 20 30 CDEDLO CC[N@H+]1CCN(S(=O)(=O)c2cccc(C#N)c2)C[C@H]1C ZINC000250196738 349819597 /nfs/dbraw/zinc/81/95/97/349819597.db2.gz AYZRHAZKWVDZQC-GFCCVEGCSA-N 1 2 293.392 1.273 20 30 CDEDLO N#Cc1ccc(CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000597891374 343659827 /nfs/dbraw/zinc/65/98/27/343659827.db2.gz ZOPPRAUYJOZZAX-OAHLLOKOSA-N 1 2 294.358 1.676 20 30 CDEDLO C=C[C@H](C(=O)OC)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000619720055 349870416 /nfs/dbraw/zinc/87/04/16/349870416.db2.gz XBNFDXJBLVFNQU-CYBMUJFWSA-N 1 2 275.352 1.686 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc(C#N)cs1 ZINC000178086920 529898436 /nfs/dbraw/zinc/89/84/36/529898436.db2.gz VAPMRPUAMMOIOC-UHFFFAOYSA-N 1 2 274.349 1.979 20 30 CDEDLO CC(C)CN1CC[N@H+](C[C@H](O)CC(C)(C)C#N)[C@@H](C)C1=O ZINC000598607611 343852740 /nfs/dbraw/zinc/85/27/40/343852740.db2.gz RNVQAYHSFOXOMZ-UONOGXRCSA-N 1 2 295.427 1.476 20 30 CDEDLO CC(C)CN1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@@H](C)C1=O ZINC000598607611 343852741 /nfs/dbraw/zinc/85/27/41/343852741.db2.gz RNVQAYHSFOXOMZ-UONOGXRCSA-N 1 2 295.427 1.476 20 30 CDEDLO N#CCc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000598945899 343925861 /nfs/dbraw/zinc/92/58/61/343925861.db2.gz DHSXALDIJOQWIG-CQSZACIVSA-N 1 2 280.331 1.694 20 30 CDEDLO COC(=O)[C@H]1CC[C@@H](C(=O)OC)[N@H+](CCC(C)(C)C#N)C1 ZINC000599587901 344093532 /nfs/dbraw/zinc/09/35/32/344093532.db2.gz IAKVDKNKCAQFHB-RYUDHWBXSA-N 1 2 296.367 1.353 20 30 CDEDLO COC(=O)[C@H]1CC[C@@H](C(=O)OC)[N@@H+](CCC(C)(C)C#N)C1 ZINC000599587901 344093533 /nfs/dbraw/zinc/09/35/33/344093533.db2.gz IAKVDKNKCAQFHB-RYUDHWBXSA-N 1 2 296.367 1.353 20 30 CDEDLO Cc1cn2ccc(C(=O)NCC3(C#N)CC3)cc2[nH+]1 ZINC000602147940 344350959 /nfs/dbraw/zinc/35/09/59/344350959.db2.gz GMFPVHFXMLZACZ-UHFFFAOYSA-N 1 2 254.293 1.676 20 30 CDEDLO CCOC(=O)c1cc(C[NH2+]CC(C)(C)C#N)on1 ZINC000602606607 344491123 /nfs/dbraw/zinc/49/11/23/344491123.db2.gz BMOQEGBMFPLLHL-UHFFFAOYSA-N 1 2 251.286 1.491 20 30 CDEDLO COc1ccccc1[C@@H](C)NC(=O)C[NH2+][C@@H](C)CC#N ZINC000602860314 344616229 /nfs/dbraw/zinc/61/62/29/344616229.db2.gz AYTHSUPETHUOBP-NWDGAFQWSA-N 1 2 275.352 1.764 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C)Cc1ccccc1F ZINC000602864131 344637882 /nfs/dbraw/zinc/63/78/82/344637882.db2.gz QDTVUJGIOYWEHA-LLVKDONJSA-N 1 2 263.316 1.676 20 30 CDEDLO CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC000602864611 344638202 /nfs/dbraw/zinc/63/82/02/344638202.db2.gz SCUGKSKDRIDXNX-WDEREUQCSA-N 1 2 263.345 1.683 20 30 CDEDLO C[C@]1(C#N)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000612161725 347064464 /nfs/dbraw/zinc/06/44/64/347064464.db2.gz DGNALPBOZHWFFP-GFCCVEGCSA-N 1 2 263.301 1.417 20 30 CDEDLO C[C@]1(C#N)CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000612161725 347064470 /nfs/dbraw/zinc/06/44/70/347064470.db2.gz DGNALPBOZHWFFP-GFCCVEGCSA-N 1 2 263.301 1.417 20 30 CDEDLO COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612166133 347067489 /nfs/dbraw/zinc/06/74/89/347067489.db2.gz AXURZGRSNCMKPF-GXTWGEPZSA-N 1 2 267.373 1.153 20 30 CDEDLO COCCCNC(=O)[C@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612166133 347067491 /nfs/dbraw/zinc/06/74/91/347067491.db2.gz AXURZGRSNCMKPF-GXTWGEPZSA-N 1 2 267.373 1.153 20 30 CDEDLO CN(Cc1[nH+]ccn1C)c1nccc(C#N)c1[N+](=O)[O-] ZINC000270951942 530027831 /nfs/dbraw/zinc/02/78/31/530027831.db2.gz OWZBRPLZUPXWAG-UHFFFAOYSA-N 1 2 272.268 1.231 20 30 CDEDLO Cc1[nH]n(CC[NH+]2CCCCC2)c(=O)c1CCC#N ZINC000603921584 344846078 /nfs/dbraw/zinc/84/60/78/344846078.db2.gz XTPZLVUDEZCXSM-ZDUSSCGKSA-N 1 2 262.357 1.610 20 30 CDEDLO Cc1cc(NC(=O)CCCn2cc[nH+]c2)n(CCC#N)n1 ZINC000604528598 344900292 /nfs/dbraw/zinc/90/02/92/344900292.db2.gz QGUHBPCIXVWKCG-UHFFFAOYSA-N 1 2 286.339 1.721 20 30 CDEDLO C=CCN(C(=O)CCn1cc[nH+]c1)[C@@H](C)COC ZINC000617579162 345865455 /nfs/dbraw/zinc/86/54/55/345865455.db2.gz YYDOXNCKAMAJJA-LBPRGKRZSA-N 1 2 251.330 1.323 20 30 CDEDLO C=CCCNC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000617618213 345879820 /nfs/dbraw/zinc/87/98/20/345879820.db2.gz HJDYCXSIGVHEKZ-QWHCGFSZSA-N 1 2 254.374 1.568 20 30 CDEDLO C=CCCNC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000617618213 345879823 /nfs/dbraw/zinc/87/98/23/345879823.db2.gz HJDYCXSIGVHEKZ-QWHCGFSZSA-N 1 2 254.374 1.568 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617725958 345931336 /nfs/dbraw/zinc/93/13/36/345931336.db2.gz QXMPXZOGCYWBQW-VNHYZAJKSA-N 1 2 268.401 1.814 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617725958 345931337 /nfs/dbraw/zinc/93/13/37/345931337.db2.gz QXMPXZOGCYWBQW-VNHYZAJKSA-N 1 2 268.401 1.814 20 30 CDEDLO CC[C@@H](C(=O)NC1(C#N)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000619877678 349941367 /nfs/dbraw/zinc/94/13/67/349941367.db2.gz SNDYYKVTSPLUBG-NEPJUHHUSA-N 1 2 265.357 1.048 20 30 CDEDLO CC[C@@H](C(=O)NC1(C#N)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000619877678 349941369 /nfs/dbraw/zinc/94/13/69/349941369.db2.gz SNDYYKVTSPLUBG-NEPJUHHUSA-N 1 2 265.357 1.048 20 30 CDEDLO N#Cc1csc(C[NH2+]Cc2nnnn2C2CC2)c1 ZINC000610488833 346293038 /nfs/dbraw/zinc/29/30/38/346293038.db2.gz BRSHVVDQGQYFLN-UHFFFAOYSA-N 1 2 260.326 1.231 20 30 CDEDLO C[N@H+](CCOC(C)(C)C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000610859894 346467683 /nfs/dbraw/zinc/46/76/83/346467683.db2.gz SUXJAKYBUSIISI-CQSZACIVSA-N 1 2 289.379 1.832 20 30 CDEDLO C[N@@H+](CCOC(C)(C)C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000610859894 346467685 /nfs/dbraw/zinc/46/76/85/346467685.db2.gz SUXJAKYBUSIISI-CQSZACIVSA-N 1 2 289.379 1.832 20 30 CDEDLO CC(C)C[C@H](C#N)NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000611012043 346576343 /nfs/dbraw/zinc/57/63/43/346576343.db2.gz LOOQLINRWIZTSK-NWDGAFQWSA-N 1 2 269.414 1.478 20 30 CDEDLO C[C@H]1COCCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000610991109 346568033 /nfs/dbraw/zinc/56/80/33/346568033.db2.gz HYABRONBCYTSNX-JTQLQIEISA-N 1 2 279.365 1.669 20 30 CDEDLO C[C@H]1COCCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000610991109 346568035 /nfs/dbraw/zinc/56/80/35/346568035.db2.gz HYABRONBCYTSNX-JTQLQIEISA-N 1 2 279.365 1.669 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000611174048 346627207 /nfs/dbraw/zinc/62/72/07/346627207.db2.gz CMCRFNBLDFURIJ-UHFFFAOYSA-N 1 2 269.352 1.366 20 30 CDEDLO CC(C)N(C(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1)C(C)C ZINC000611174951 346628673 /nfs/dbraw/zinc/62/86/73/346628673.db2.gz PRNHSTRUFKNHEI-OAHLLOKOSA-N 1 2 294.443 1.552 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1c(Br)c(C)nn1C ZINC000641775005 365843849 /nfs/dbraw/zinc/84/38/49/365843849.db2.gz RTGKOXKVLMCCQQ-MRVPVSSYSA-N 1 2 274.162 1.128 20 30 CDEDLO Cn1ncnc1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000611406980 346777546 /nfs/dbraw/zinc/77/75/46/346777546.db2.gz LVBDJYQOQUKAPQ-ZDUSSCGKSA-N 1 2 255.325 1.950 20 30 CDEDLO COC(=O)c1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)c[nH]1 ZINC000612405936 347150218 /nfs/dbraw/zinc/15/02/18/347150218.db2.gz FGWMGIZIPCRUFY-CQSZACIVSA-N 1 2 261.325 1.927 20 30 CDEDLO COC(=O)c1cc(C[N@H+]2CCC[C@](C)(C#N)C2)c[nH]1 ZINC000612405936 347150221 /nfs/dbraw/zinc/15/02/21/347150221.db2.gz FGWMGIZIPCRUFY-CQSZACIVSA-N 1 2 261.325 1.927 20 30 CDEDLO N#CC1(C[NH+]2CCN(Cc3ccon3)CC2)CCC1 ZINC000450434569 362824091 /nfs/dbraw/zinc/82/40/91/362824091.db2.gz DCPCGBRVOJNTRR-UHFFFAOYSA-N 1 2 260.341 1.486 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000491704092 347586968 /nfs/dbraw/zinc/58/69/68/347586968.db2.gz UFXGKJAXNUYGPP-AWEZNQCLSA-N 1 2 287.363 1.471 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1ncc(Br)cc1F ZINC000623574263 347640224 /nfs/dbraw/zinc/64/02/24/347640224.db2.gz IZWCFVCKJZSOMK-MRVPVSSYSA-N 1 2 275.121 1.620 20 30 CDEDLO CN(CCO)c1ccc(N[C@@H]2CC[C@@H](C#N)C2)[nH+]c1 ZINC000619673419 347726005 /nfs/dbraw/zinc/72/60/05/347726005.db2.gz JHUFJGKNGBUMGX-VXGBXAGGSA-N 1 2 260.341 1.614 20 30 CDEDLO Cn1cc(C[NH+]2CCN(CCC#N)CC2)c(C(F)F)n1 ZINC000613743057 347884958 /nfs/dbraw/zinc/88/49/58/347884958.db2.gz YBXOMWISGWNMOC-UHFFFAOYSA-N 1 2 283.326 1.389 20 30 CDEDLO C=C(C)CCNc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000450715462 362868061 /nfs/dbraw/zinc/86/80/61/362868061.db2.gz NFWDRAPFJLXRHQ-UHFFFAOYSA-N 1 2 275.356 1.133 20 30 CDEDLO C=C(C)CCNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000450715462 362868064 /nfs/dbraw/zinc/86/80/64/362868064.db2.gz NFWDRAPFJLXRHQ-UHFFFAOYSA-N 1 2 275.356 1.133 20 30 CDEDLO N#C[C@@]1(F)CCN(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000615592556 348604007 /nfs/dbraw/zinc/60/40/07/348604007.db2.gz RJFUMSHEPUVAMR-AWEZNQCLSA-N 1 2 287.298 1.481 20 30 CDEDLO C#CC[NH+]1CCN(c2ccc(C(=O)OCC)cn2)CC1 ZINC000046478850 348792515 /nfs/dbraw/zinc/79/25/15/348792515.db2.gz HSVJMQRULOTBCR-UHFFFAOYSA-N 1 2 273.336 1.014 20 30 CDEDLO N#CCSCC(=O)NCCCCn1cc[nH+]c1 ZINC000060407749 348889080 /nfs/dbraw/zinc/88/90/80/348889080.db2.gz VGQZGPWAKJKPEL-UHFFFAOYSA-N 1 2 252.343 1.036 20 30 CDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)CC(=O)OC ZINC000060846130 348898852 /nfs/dbraw/zinc/89/88/52/348898852.db2.gz NNXDUHPLDVLROH-AWEZNQCLSA-N 1 2 293.363 1.260 20 30 CDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)CC(=O)OC ZINC000060846130 348898857 /nfs/dbraw/zinc/89/88/57/348898857.db2.gz NNXDUHPLDVLROH-AWEZNQCLSA-N 1 2 293.363 1.260 20 30 CDEDLO CO/N=C/c1ccc(C(=O)N(C)Cc2[nH+]ccn2C)cc1 ZINC000061512665 348906244 /nfs/dbraw/zinc/90/62/44/348906244.db2.gz ORPAKMJEZPGZEO-LICLKQGHSA-N 1 2 286.335 1.673 20 30 CDEDLO CCC[N@H+]1CCC[C@H]1C(=O)N=c1[nH][nH]c(C2CC2)c1C#N ZINC000601738224 350002007 /nfs/dbraw/zinc/00/20/07/350002007.db2.gz PQPSVLVEEZCHCS-LBPRGKRZSA-N 1 2 287.367 1.394 20 30 CDEDLO CO[C@H]1C[N@H+](CCCOc2cccc(C#N)c2)CCO1 ZINC000602897871 350161277 /nfs/dbraw/zinc/16/12/77/350161277.db2.gz LVLLBXIURFGQDR-OAHLLOKOSA-N 1 2 276.336 1.632 20 30 CDEDLO CO[C@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CCO1 ZINC000602897871 350161278 /nfs/dbraw/zinc/16/12/78/350161278.db2.gz LVLLBXIURFGQDR-OAHLLOKOSA-N 1 2 276.336 1.632 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620595573 350272256 /nfs/dbraw/zinc/27/22/56/350272256.db2.gz LCZLBAFESBXBJP-GHMZBOCLSA-N 1 2 251.330 1.579 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091893276 180280701 /nfs/dbraw/zinc/28/07/01/180280701.db2.gz KHNGEWYKSJDINS-LLVKDONJSA-N 1 2 260.312 1.322 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCc2cc(F)ccc2C1 ZINC000091893276 180280703 /nfs/dbraw/zinc/28/07/03/180280703.db2.gz KHNGEWYKSJDINS-LLVKDONJSA-N 1 2 260.312 1.322 20 30 CDEDLO Cc1cc(C)c(C#N)c(NC[C@H]2C[N@H+](C)CCO2)n1 ZINC000108945789 186237253 /nfs/dbraw/zinc/23/72/53/186237253.db2.gz RBRRXDMKANKTAD-LBPRGKRZSA-N 1 2 260.341 1.313 20 30 CDEDLO Cc1cc(C)c(C#N)c(NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000108945789 186237254 /nfs/dbraw/zinc/23/72/54/186237254.db2.gz RBRRXDMKANKTAD-LBPRGKRZSA-N 1 2 260.341 1.313 20 30 CDEDLO C#CCOc1ccc(C[NH+]2CC(NC(C)=O)C2)cc1 ZINC000291448479 198024306 /nfs/dbraw/zinc/02/43/06/198024306.db2.gz LNZDZBNPKZVRSG-UHFFFAOYSA-N 1 2 258.321 1.019 20 30 CDEDLO CC#CC[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000135262256 187812887 /nfs/dbraw/zinc/81/28/87/187812887.db2.gz MBQYHQVPVDSPRC-LLVKDONJSA-N 1 2 299.143 1.728 20 30 CDEDLO N#Cc1ccc(C[NH2+][C@@]2(CO)CCOc3ccccc32)nc1 ZINC000590604773 358488648 /nfs/dbraw/zinc/48/86/48/358488648.db2.gz JDZIDQNTIJZWGX-QGZVFWFLSA-N 1 2 295.342 1.713 20 30 CDEDLO C=CC[C@H](C)NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000117046556 356064637 /nfs/dbraw/zinc/06/46/37/356064637.db2.gz SSADABUWDUAYRK-RWMBFGLXSA-N 1 2 269.389 1.359 20 30 CDEDLO C[N@H+](C[C@H]1CCCCO1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000342635725 356097120 /nfs/dbraw/zinc/09/71/20/356097120.db2.gz QOWFDUAHYXGSLQ-CABCVRRESA-N 1 2 287.363 1.586 20 30 CDEDLO C[N@@H+](C[C@H]1CCCCO1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000342635725 356097125 /nfs/dbraw/zinc/09/71/25/356097125.db2.gz QOWFDUAHYXGSLQ-CABCVRRESA-N 1 2 287.363 1.586 20 30 CDEDLO Cc1ccc(/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C)cn1 ZINC000493329954 366284178 /nfs/dbraw/zinc/28/41/78/366284178.db2.gz YNJVPDLGJKKPNQ-LZNQSLFOSA-N 1 2 272.352 1.363 20 30 CDEDLO C=CCCOCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000143957445 356721185 /nfs/dbraw/zinc/72/11/85/356721185.db2.gz ZLCGOTPADYZDFR-UHFFFAOYSA-N 1 2 259.309 1.543 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000299195336 356981232 /nfs/dbraw/zinc/98/12/32/356981232.db2.gz DWCWAXROKHRVPO-ZDUSSCGKSA-N 1 2 272.323 1.399 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C(C)=O)cn2C)CC1 ZINC000299358905 357032787 /nfs/dbraw/zinc/03/27/87/357032787.db2.gz XRQJQCPJVOBFAS-UHFFFAOYSA-N 1 2 287.363 1.009 20 30 CDEDLO COCC1=CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000185864260 357586579 /nfs/dbraw/zinc/58/65/79/357586579.db2.gz LDXHPXCDCMFDAU-HNNXBMFYSA-N 1 2 279.384 1.319 20 30 CDEDLO COCC1=CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000185864260 357586584 /nfs/dbraw/zinc/58/65/84/357586584.db2.gz LDXHPXCDCMFDAU-HNNXBMFYSA-N 1 2 279.384 1.319 20 30 CDEDLO Cc1ncc(C[NH+]2CCN(c3ccccc3C#N)CC2)cn1 ZINC000337641389 358097848 /nfs/dbraw/zinc/09/78/48/358097848.db2.gz FWDRMPNPJSPCNH-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc[nH]n3)C2=O)cc1 ZINC000192242761 358183853 /nfs/dbraw/zinc/18/38/53/358183853.db2.gz AUPYMYKUNUISNT-OAHLLOKOSA-N 1 2 295.346 1.172 20 30 CDEDLO Cc1cc(C)c(CNC(=O)N2CC[C@](F)(C#N)C2)c[nH+]1 ZINC000590839189 358528314 /nfs/dbraw/zinc/52/83/14/358528314.db2.gz BTKVFJITHPVMOF-AWEZNQCLSA-N 1 2 276.315 1.846 20 30 CDEDLO C[C@@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000567088966 358625994 /nfs/dbraw/zinc/62/59/94/358625994.db2.gz DVDQBVBZROHVHX-NEPJUHHUSA-N 1 2 268.324 1.632 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000592149106 358587502 /nfs/dbraw/zinc/58/75/02/358587502.db2.gz IWXQRECBPMSIJG-HNNXBMFYSA-N 1 2 274.368 1.849 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000592149106 358587504 /nfs/dbraw/zinc/58/75/04/358587504.db2.gz IWXQRECBPMSIJG-HNNXBMFYSA-N 1 2 274.368 1.849 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000592152723 358587614 /nfs/dbraw/zinc/58/76/14/358587614.db2.gz BWHJMQRGEPTBIX-ZDUSSCGKSA-N 1 2 252.264 1.815 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000592152723 358587615 /nfs/dbraw/zinc/58/76/15/358587615.db2.gz BWHJMQRGEPTBIX-ZDUSSCGKSA-N 1 2 252.264 1.815 20 30 CDEDLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccccc1C#N ZINC000185110090 358772800 /nfs/dbraw/zinc/77/28/00/358772800.db2.gz LWPDBIYBTDENDW-DIFFPNOSSA-N 1 2 250.367 1.757 20 30 CDEDLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1ccccc1C#N ZINC000185110090 358772803 /nfs/dbraw/zinc/77/28/03/358772803.db2.gz LWPDBIYBTDENDW-DIFFPNOSSA-N 1 2 250.367 1.757 20 30 CDEDLO C=CCOc1ccc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000494555430 366506922 /nfs/dbraw/zinc/50/69/22/366506922.db2.gz QTMNOHZAFALFBQ-AWEZNQCLSA-N 1 2 288.347 1.888 20 30 CDEDLO C=CCOc1ccc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000494555430 366506927 /nfs/dbraw/zinc/50/69/27/366506927.db2.gz QTMNOHZAFALFBQ-AWEZNQCLSA-N 1 2 288.347 1.888 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@](F)(C(=O)OC)C1 ZINC000267641120 359354634 /nfs/dbraw/zinc/35/46/34/359354634.db2.gz IUOYJRFZZVEQCH-IUODEOHRSA-N 1 2 298.358 1.163 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@](F)(C(=O)OC)C1 ZINC000267641120 359354637 /nfs/dbraw/zinc/35/46/37/359354637.db2.gz IUOYJRFZZVEQCH-IUODEOHRSA-N 1 2 298.358 1.163 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)N(C)C(C)C)n1 ZINC000279698345 359590493 /nfs/dbraw/zinc/59/04/93/359590493.db2.gz IMHHPDYEPAXFIN-AWEZNQCLSA-N 1 2 290.411 1.594 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)N(C)C(C)C)n1 ZINC000279698345 359590497 /nfs/dbraw/zinc/59/04/97/359590497.db2.gz IMHHPDYEPAXFIN-AWEZNQCLSA-N 1 2 290.411 1.594 20 30 CDEDLO C=CCN(CC=C)C(=O)NCc1c[nH+]ccc1OC ZINC000297464233 200200017 /nfs/dbraw/zinc/20/00/17/200200017.db2.gz RCEMYHWHYUNBAI-UHFFFAOYSA-N 1 2 261.325 1.974 20 30 CDEDLO C=CCc1cc(C[NH+]2CC(O)(COC)C2)cc(OC)c1O ZINC000297480466 200205229 /nfs/dbraw/zinc/20/52/29/200205229.db2.gz JPRVXMGSHQAPIY-UHFFFAOYSA-N 1 2 293.363 1.322 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C(F)F)CC2)cc1 ZINC000298276104 200380601 /nfs/dbraw/zinc/38/06/01/200380601.db2.gz ODKKIDXIZNYBJU-UHFFFAOYSA-N 1 2 279.290 1.468 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccnn1CC ZINC000429732838 360873224 /nfs/dbraw/zinc/87/32/24/360873224.db2.gz YYGJYEANFCBZKO-NSHDSACASA-N 1 2 250.346 1.026 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1ccnn1CC ZINC000429732838 360873229 /nfs/dbraw/zinc/87/32/29/360873229.db2.gz YYGJYEANFCBZKO-NSHDSACASA-N 1 2 250.346 1.026 20 30 CDEDLO C=CC[C@H](C)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000247194565 361034317 /nfs/dbraw/zinc/03/43/17/361034317.db2.gz SSADABUWDUAYRK-XQQFMLRXSA-N 1 2 269.389 1.359 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCOC2(CCCC2)C1 ZINC000158043523 361082500 /nfs/dbraw/zinc/08/25/00/361082500.db2.gz RJRXXNPXFGRWIG-CYBMUJFWSA-N 1 2 279.384 1.392 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCOC2(CCCC2)C1 ZINC000158043523 361082503 /nfs/dbraw/zinc/08/25/03/361082503.db2.gz RJRXXNPXFGRWIG-CYBMUJFWSA-N 1 2 279.384 1.392 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180491745 189258211 /nfs/dbraw/zinc/25/82/11/189258211.db2.gz ZHZBEKKNYXVMCV-VIFPVBQESA-N 1 2 284.281 1.674 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180491745 189258212 /nfs/dbraw/zinc/25/82/12/189258212.db2.gz ZHZBEKKNYXVMCV-VIFPVBQESA-N 1 2 284.281 1.674 20 30 CDEDLO C[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433294630 361228430 /nfs/dbraw/zinc/22/84/30/361228430.db2.gz ADOWOESNSULVHV-GFCCVEGCSA-N 1 2 251.374 1.869 20 30 CDEDLO C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433294630 361228437 /nfs/dbraw/zinc/22/84/37/361228437.db2.gz ADOWOESNSULVHV-GFCCVEGCSA-N 1 2 251.374 1.869 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CC=C(C(F)(F)F)CC2)CCC1 ZINC000527384648 361385779 /nfs/dbraw/zinc/38/57/79/361385779.db2.gz NEXLAZMRGOJGAO-UHFFFAOYSA-N 1 2 287.285 1.743 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CC=C(C(F)(F)F)CC2)CCC1 ZINC000527384648 361385782 /nfs/dbraw/zinc/38/57/82/361385782.db2.gz NEXLAZMRGOJGAO-UHFFFAOYSA-N 1 2 287.285 1.743 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@H](CO)c2ccc(F)cc2)nn1 ZINC000653611696 412720597 /nfs/dbraw/zinc/72/05/97/412720597.db2.gz IZVTVZZGHDHQNB-OAHLLOKOSA-N 1 2 290.342 1.817 20 30 CDEDLO O=C(N[C@@H]1CCCOC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329302875 361472398 /nfs/dbraw/zinc/47/23/98/361472398.db2.gz WZXHAFAZLVBFDV-TZMCWYRMSA-N 1 2 282.384 1.765 20 30 CDEDLO O=C(N[C@@H]1CCCOC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329302875 361472405 /nfs/dbraw/zinc/47/24/05/361472405.db2.gz WZXHAFAZLVBFDV-TZMCWYRMSA-N 1 2 282.384 1.765 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000351147027 361606907 /nfs/dbraw/zinc/60/69/07/361606907.db2.gz QHMZOKKECUEHJA-LSDHHAIUSA-N 1 2 280.412 1.932 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000351147027 361606908 /nfs/dbraw/zinc/60/69/08/361606908.db2.gz QHMZOKKECUEHJA-LSDHHAIUSA-N 1 2 280.412 1.932 20 30 CDEDLO COc1ccccc1[C@@H](CO)[NH2+]C[C@H](C#N)CCC#N ZINC000583630963 361578414 /nfs/dbraw/zinc/57/84/14/361578414.db2.gz CCYCRJGHIOBUED-GXTWGEPZSA-N 1 2 273.336 1.762 20 30 CDEDLO CO[C@H]1CC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000267750540 361618326 /nfs/dbraw/zinc/61/83/26/361618326.db2.gz DOOOSCZDXWDTMD-NSHDSACASA-N 1 2 293.392 1.896 20 30 CDEDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000267750540 361618329 /nfs/dbraw/zinc/61/83/29/361618329.db2.gz DOOOSCZDXWDTMD-NSHDSACASA-N 1 2 293.392 1.896 20 30 CDEDLO CS[C@H](C)CCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000570686247 363881520 /nfs/dbraw/zinc/88/15/20/363881520.db2.gz BANMSTWJTHVCEV-PWSUYJOCSA-N 1 2 257.403 1.478 20 30 CDEDLO CC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)CC#N)cc1 ZINC000639724658 364529430 /nfs/dbraw/zinc/52/94/30/364529430.db2.gz CHYANRHYPIBRRJ-JTQLQIEISA-N 1 2 259.309 1.719 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCOc2cccc(C)c2)nn1 ZINC000640795894 364650518 /nfs/dbraw/zinc/65/05/18/364650518.db2.gz HFGNHTRLHNKEEE-UHFFFAOYSA-N 1 2 284.363 1.778 20 30 CDEDLO Cn1cnc2cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc21 ZINC000563960662 364788429 /nfs/dbraw/zinc/78/84/29/364788429.db2.gz QYCLSDRVGUDGQD-HNNXBMFYSA-N 1 2 285.351 1.147 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cc(C)ccn2)nn1 ZINC000641071365 364949270 /nfs/dbraw/zinc/94/92/70/364949270.db2.gz CEQHLTNWQDGTRU-UHFFFAOYSA-N 1 2 255.325 1.143 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000491371635 365134345 /nfs/dbraw/zinc/13/43/45/365134345.db2.gz FZZOZIJOGKXCHR-NSHDSACASA-N 1 2 276.384 1.277 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000491371635 365134352 /nfs/dbraw/zinc/13/43/52/365134352.db2.gz FZZOZIJOGKXCHR-NSHDSACASA-N 1 2 276.384 1.277 20 30 CDEDLO C[C@H](O)C(=O)N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000270900486 366942081 /nfs/dbraw/zinc/94/20/81/366942081.db2.gz QZKLEMSWKROXPR-STQMWFEESA-N 1 2 287.363 1.144 20 30 CDEDLO Cn1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)n1 ZINC000270754970 366926280 /nfs/dbraw/zinc/92/62/80/366926280.db2.gz DCKQQWSJKTWJFG-UHFFFAOYSA-N 1 2 281.363 1.614 20 30 CDEDLO CC(C)[C@]1(C)C[C@H]1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000566975476 370852052 /nfs/dbraw/zinc/85/20/52/370852052.db2.gz CFPHERQSJBIZAT-YUTCNCBUSA-N 1 2 251.374 1.629 20 30 CDEDLO CC(C)(C#N)CNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000358628560 367826683 /nfs/dbraw/zinc/82/66/83/367826683.db2.gz RLFMDDMARGFRRM-UHFFFAOYSA-N 1 2 290.367 1.657 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](COCC)C1 ZINC000528715170 367951504 /nfs/dbraw/zinc/95/15/04/367951504.db2.gz BMAYKHGOHIKQJU-HUUCEWRRSA-N 1 2 298.427 1.537 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](COCC)C1 ZINC000528715170 367951507 /nfs/dbraw/zinc/95/15/07/367951507.db2.gz BMAYKHGOHIKQJU-HUUCEWRRSA-N 1 2 298.427 1.537 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@H](COCC)C1 ZINC000528724009 367953842 /nfs/dbraw/zinc/95/38/42/367953842.db2.gz WXSXOCMSLRBHNR-GJZGRUSLSA-N 1 2 296.411 1.313 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@H](COCC)C1 ZINC000528724009 367953845 /nfs/dbraw/zinc/95/38/45/367953845.db2.gz WXSXOCMSLRBHNR-GJZGRUSLSA-N 1 2 296.411 1.313 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000360959995 368571391 /nfs/dbraw/zinc/57/13/91/368571391.db2.gz HEIYLSBWPPNYPX-GJZGRUSLSA-N 1 2 288.395 1.907 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000360959995 368571394 /nfs/dbraw/zinc/57/13/94/368571394.db2.gz HEIYLSBWPPNYPX-GJZGRUSLSA-N 1 2 288.395 1.907 20 30 CDEDLO C=CCn1nnnc1SCc1c[nH+]ccc1OC ZINC000286430754 368829261 /nfs/dbraw/zinc/82/92/61/368829261.db2.gz DNZHZUOZMFOAJX-UHFFFAOYSA-N 1 2 263.326 1.555 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CCCO[C@@H](C)C2)c(C#N)c1C ZINC000170769123 368988825 /nfs/dbraw/zinc/98/88/25/368988825.db2.gz QAGQISDQUWGPHQ-JTQLQIEISA-N 1 2 291.351 1.817 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CCCO[C@@H](C)C2)c(C#N)c1C ZINC000170769123 368988829 /nfs/dbraw/zinc/98/88/29/368988829.db2.gz QAGQISDQUWGPHQ-JTQLQIEISA-N 1 2 291.351 1.817 20 30 CDEDLO N#Cc1cncc(N2CC[NH+](Cc3ccco3)CC2)n1 ZINC000420585953 244265549 /nfs/dbraw/zinc/26/55/49/244265549.db2.gz NVUOXCUQMPFVRP-UHFFFAOYSA-N 1 2 269.308 1.263 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)c1nnnn1C)c1ccc(C#N)cc1 ZINC000276218744 193246542 /nfs/dbraw/zinc/24/65/42/193246542.db2.gz KYTOXUHSFLRSHH-ZJUUUORDSA-N 1 2 256.313 1.494 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000276212860 193244492 /nfs/dbraw/zinc/24/44/92/193244492.db2.gz LHCVESHAQMPQPP-HIFRSBDPSA-N 1 2 279.384 1.864 20 30 CDEDLO C[C@H](C#N)n1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000369137261 369695360 /nfs/dbraw/zinc/69/53/60/369695360.db2.gz LUOLWOXGXYKZPE-OCCSQVGLSA-N 1 2 298.350 1.331 20 30 CDEDLO C[C@H](C#N)n1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000369137261 369695362 /nfs/dbraw/zinc/69/53/62/369695362.db2.gz LUOLWOXGXYKZPE-OCCSQVGLSA-N 1 2 298.350 1.331 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000556127391 370240290 /nfs/dbraw/zinc/24/02/90/370240290.db2.gz MIPAHDSVGQVCJL-KGLIPLIRSA-N 1 2 285.347 1.850 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000331710401 204096513 /nfs/dbraw/zinc/09/65/13/204096513.db2.gz CQNLQBXGZRYBKW-XJKSGUPXSA-N 1 2 297.362 1.612 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000331710401 204096515 /nfs/dbraw/zinc/09/65/15/204096515.db2.gz CQNLQBXGZRYBKW-XJKSGUPXSA-N 1 2 297.362 1.612 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccnc(C#N)c1)CCC2 ZINC000331714817 204097161 /nfs/dbraw/zinc/09/71/61/204097161.db2.gz DXXOXTXLAAOHQI-CYBMUJFWSA-N 1 2 295.346 1.766 20 30 CDEDLO CC(C)[N@H+](CCC#N)Cc1cnc2c(C#N)cnn2c1 ZINC000568513150 371226468 /nfs/dbraw/zinc/22/64/68/371226468.db2.gz GHPLRPBCWUVOLH-UHFFFAOYSA-N 1 2 268.324 1.725 20 30 CDEDLO CC(C)[N@@H+](CCC#N)Cc1cnc2c(C#N)cnn2c1 ZINC000568513150 371226473 /nfs/dbraw/zinc/22/64/73/371226473.db2.gz GHPLRPBCWUVOLH-UHFFFAOYSA-N 1 2 268.324 1.725 20 30 CDEDLO Cc1cc(C)c(CNC(=O)NCC2(C#N)CC2)c[nH+]1 ZINC000572603352 371257165 /nfs/dbraw/zinc/25/71/65/371257165.db2.gz PPKCXNBAROVOCC-UHFFFAOYSA-N 1 2 258.325 1.801 20 30 CDEDLO C[C@@H](C(=O)N1CCC(CCC#N)CC1)[NH+]1CCN(C)CC1 ZINC000573567590 371583661 /nfs/dbraw/zinc/58/36/61/371583661.db2.gz QDMADTHGDRSXOG-AWEZNQCLSA-N 1 2 292.427 1.165 20 30 CDEDLO Cc1ccc2[nH+]c(CNC(=O)NC[C@@H](C)C#N)cn2c1 ZINC000578570255 372504502 /nfs/dbraw/zinc/50/45/02/372504502.db2.gz QXKMQQRVAKONCE-NSHDSACASA-N 1 2 271.324 1.602 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cn1ccc2ccccc21 ZINC000578656454 372533647 /nfs/dbraw/zinc/53/36/47/372533647.db2.gz WZQTVFSKKPZNKT-INIZCTEOSA-N 1 2 284.363 1.601 20 30 CDEDLO CC[C@@H](C)n1nc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1C ZINC000578753798 372544948 /nfs/dbraw/zinc/54/49/48/372544948.db2.gz GTBNLQABVQQREK-ABAIWWIYSA-N 1 2 291.399 1.736 20 30 CDEDLO N#C[C@@H]1[N@H+](CCC2(O)CC2)CCC[C@@]12CCCCO2 ZINC000580814023 372700106 /nfs/dbraw/zinc/70/01/06/372700106.db2.gz ZZGNNQQZNLOCSG-ZFWWWQNUSA-N 1 2 264.369 1.829 20 30 CDEDLO N#C[C@@H]1[N@@H+](CCC2(O)CC2)CCC[C@@]12CCCCO2 ZINC000580814023 372700118 /nfs/dbraw/zinc/70/01/18/372700118.db2.gz ZZGNNQQZNLOCSG-ZFWWWQNUSA-N 1 2 264.369 1.829 20 30 CDEDLO N#Cc1c(Cl)cccc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000266416908 372782134 /nfs/dbraw/zinc/78/21/34/372782134.db2.gz HVGCMMFEHUVJCP-LLVKDONJSA-N 1 2 295.770 1.317 20 30 CDEDLO C[N@@H+](CC(=O)Nc1nncs1)C[C@H]1CCCCO1 ZINC000048839831 372895925 /nfs/dbraw/zinc/89/59/25/372895925.db2.gz GMWKTXOWHQIBBZ-SECBINFHSA-N 1 2 270.358 1.627 20 30 CDEDLO C[N@H+](CC(=O)Nc1nncs1)C[C@H]1CCCCO1 ZINC000048839831 372895931 /nfs/dbraw/zinc/89/59/31/372895931.db2.gz GMWKTXOWHQIBBZ-SECBINFHSA-N 1 2 270.358 1.627 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCOC2(CCC2)C1 ZINC000154147112 373676494 /nfs/dbraw/zinc/67/64/94/373676494.db2.gz KNMXVLHMYZCTAW-HIFRSBDPSA-N 1 2 293.411 1.684 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCOC2(CCC2)C1 ZINC000154147112 373676504 /nfs/dbraw/zinc/67/65/04/373676504.db2.gz KNMXVLHMYZCTAW-HIFRSBDPSA-N 1 2 293.411 1.684 20 30 CDEDLO Cc1nn(Cc2[nH+]c3ccccc3n2C)c(=O)c(C#N)c1C ZINC000299498323 373910389 /nfs/dbraw/zinc/91/03/89/373910389.db2.gz CBLQNVPWNIUTSD-UHFFFAOYSA-N 1 2 293.330 1.667 20 30 CDEDLO COC(=O)c1cccc(C[N@H+](C)C(C)(C)C(N)=O)c1C#N ZINC000514911819 374111247 /nfs/dbraw/zinc/11/12/47/374111247.db2.gz PGFDIIHYMRCXJW-UHFFFAOYSA-N 1 2 289.335 1.041 20 30 CDEDLO COC(=O)c1cccc(C[N@@H+](C)C(C)(C)C(N)=O)c1C#N ZINC000514911819 374111249 /nfs/dbraw/zinc/11/12/49/374111249.db2.gz PGFDIIHYMRCXJW-UHFFFAOYSA-N 1 2 289.335 1.041 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)CCCO1 ZINC000061918356 374121150 /nfs/dbraw/zinc/12/11/50/374121150.db2.gz VAJWTXVEFYOFGU-GFCCVEGCSA-N 1 2 273.336 1.608 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CCCO1 ZINC000061918356 374121155 /nfs/dbraw/zinc/12/11/55/374121155.db2.gz VAJWTXVEFYOFGU-GFCCVEGCSA-N 1 2 273.336 1.608 20 30 CDEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)C(=O)N1CCCCC1 ZINC000352823196 374361519 /nfs/dbraw/zinc/36/15/19/374361519.db2.gz MUMRUDNAOWBPRI-JTQLQIEISA-N 1 2 278.381 1.505 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nccc(N)n1 ZINC000425539766 374444202 /nfs/dbraw/zinc/44/42/02/374444202.db2.gz UMXRUXCOZLRENB-NSHDSACASA-N 1 2 267.336 1.954 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nccc(N)n1 ZINC000425539766 374444212 /nfs/dbraw/zinc/44/42/12/374444212.db2.gz UMXRUXCOZLRENB-NSHDSACASA-N 1 2 267.336 1.954 20 30 CDEDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000376530073 374561940 /nfs/dbraw/zinc/56/19/40/374561940.db2.gz XLLNFDZAFAAFHC-AWEZNQCLSA-N 1 2 274.320 1.322 20 30 CDEDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000376530073 374561950 /nfs/dbraw/zinc/56/19/50/374561950.db2.gz XLLNFDZAFAAFHC-AWEZNQCLSA-N 1 2 274.320 1.322 20 30 CDEDLO CC[N@H+](Cc1ccc(F)c(C#N)c1)[C@@H](C)CS(C)(=O)=O ZINC000120862993 374596609 /nfs/dbraw/zinc/59/66/09/374596609.db2.gz LZNHSZCJLKAMMK-NSHDSACASA-N 1 2 298.383 1.952 20 30 CDEDLO CC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H](C)CS(C)(=O)=O ZINC000120862993 374596613 /nfs/dbraw/zinc/59/66/13/374596613.db2.gz LZNHSZCJLKAMMK-NSHDSACASA-N 1 2 298.383 1.952 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)CC[S@@]1=O ZINC000277210397 374778589 /nfs/dbraw/zinc/77/85/89/374778589.db2.gz NGVSABCCNBNIGH-XIKOKIGWSA-N 1 2 262.378 1.901 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)CC[S@@]1=O ZINC000277210397 374778592 /nfs/dbraw/zinc/77/85/92/374778592.db2.gz NGVSABCCNBNIGH-XIKOKIGWSA-N 1 2 262.378 1.901 20 30 CDEDLO C[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CC[S@@](=O)C1 ZINC000277471329 374789500 /nfs/dbraw/zinc/78/95/00/374789500.db2.gz MANQYTROMSWIDI-BBATYDOGSA-N 1 2 265.382 1.097 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CC[S@@](=O)C1 ZINC000277471329 374789506 /nfs/dbraw/zinc/78/95/06/374789506.db2.gz MANQYTROMSWIDI-BBATYDOGSA-N 1 2 265.382 1.097 20 30 CDEDLO Cc1cc(C[N@@H+]2CCNC(=O)[C@@H]2C(C)C)ccc1C#N ZINC000331095549 374888167 /nfs/dbraw/zinc/88/81/67/374888167.db2.gz BILYMGDQJVQPOZ-HNNXBMFYSA-N 1 2 271.364 1.823 20 30 CDEDLO Cc1cc(C[N@H+]2CCNC(=O)[C@@H]2C(C)C)ccc1C#N ZINC000331095549 374888173 /nfs/dbraw/zinc/88/81/73/374888173.db2.gz BILYMGDQJVQPOZ-HNNXBMFYSA-N 1 2 271.364 1.823 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(C#N)c1 ZINC000047717883 375244454 /nfs/dbraw/zinc/24/44/54/375244454.db2.gz UZOJSGKCYABXFH-LLVKDONJSA-N 1 2 269.308 1.965 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)c(Cl)c1 ZINC000162919387 375552555 /nfs/dbraw/zinc/55/25/55/375552555.db2.gz TUMUUKZEEHYEEV-LBPRGKRZSA-N 1 2 290.754 1.421 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)c(Cl)c1 ZINC000162919387 375552560 /nfs/dbraw/zinc/55/25/60/375552560.db2.gz TUMUUKZEEHYEEV-LBPRGKRZSA-N 1 2 290.754 1.421 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2csc(NCC)n2)CC1 ZINC000123243802 375817591 /nfs/dbraw/zinc/81/75/91/375817591.db2.gz UVTOTODLBKEOSA-UHFFFAOYSA-N 1 2 292.408 1.356 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000123477107 375839400 /nfs/dbraw/zinc/83/94/00/375839400.db2.gz NLEAGUHBQYBVKE-LBPRGKRZSA-N 1 2 258.321 1.019 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000123477107 375839405 /nfs/dbraw/zinc/83/94/05/375839405.db2.gz NLEAGUHBQYBVKE-LBPRGKRZSA-N 1 2 258.321 1.019 20 30 CDEDLO CC1(C)C[N@H+](CCNC(=O)N2CCCCO2)CCO1 ZINC000328700344 375932959 /nfs/dbraw/zinc/93/29/59/375932959.db2.gz MPIDKRQAVCRFBB-UHFFFAOYSA-N 1 2 271.361 1.039 20 30 CDEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCCCO2)CCO1 ZINC000328700344 375932967 /nfs/dbraw/zinc/93/29/67/375932967.db2.gz MPIDKRQAVCRFBB-UHFFFAOYSA-N 1 2 271.361 1.039 20 30 CDEDLO CN(C)c1ccc(CNC(=O)C2(C#N)CCOCC2)c[nH+]1 ZINC000330663994 376293088 /nfs/dbraw/zinc/29/30/88/376293088.db2.gz FPZWJNZYGRPKBI-UHFFFAOYSA-N 1 2 288.351 1.084 20 30 CDEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@@H](C#N)CCC#N ZINC000246086748 376377050 /nfs/dbraw/zinc/37/70/50/376377050.db2.gz UPKFXPBXOWAKKG-VXGBXAGGSA-N 1 2 281.381 1.410 20 30 CDEDLO COC(=O)C[C@@H]1CSCC[N@H+]1C[C@@H](C#N)CCC#N ZINC000246086748 376377057 /nfs/dbraw/zinc/37/70/57/376377057.db2.gz UPKFXPBXOWAKKG-VXGBXAGGSA-N 1 2 281.381 1.410 20 30 CDEDLO Cn1ncc(C(=O)Nc2ccccc2-n2cc[nH+]c2)c1C#N ZINC000354375837 376692930 /nfs/dbraw/zinc/69/29/30/376692930.db2.gz APMFSQQEQJPFFX-UHFFFAOYSA-N 1 2 292.302 1.730 20 30 CDEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NCC(F)(F)F ZINC000072691305 376802505 /nfs/dbraw/zinc/80/25/05/376802505.db2.gz IGUMJTLAAISWCI-UHFFFAOYSA-N 1 2 279.306 1.927 20 30 CDEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NCC(F)(F)F ZINC000072691305 376802510 /nfs/dbraw/zinc/80/25/10/376802510.db2.gz IGUMJTLAAISWCI-UHFFFAOYSA-N 1 2 279.306 1.927 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000246592755 376954556 /nfs/dbraw/zinc/95/45/56/376954556.db2.gz PAJQLLGRJUKLDQ-CVEARBPZSA-N 1 2 290.411 1.474 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000246592755 376954562 /nfs/dbraw/zinc/95/45/62/376954562.db2.gz PAJQLLGRJUKLDQ-CVEARBPZSA-N 1 2 290.411 1.474 20 30 CDEDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1cc(C#N)ccc1F)CC2 ZINC000172792735 377760302 /nfs/dbraw/zinc/76/03/02/377760302.db2.gz FDTWAGMSQPPLEF-UHFFFAOYSA-N 1 2 298.321 1.349 20 30 CDEDLO Cn1nc2c(cc1=O)C[N@H+](Cc1cc(C#N)ccc1F)CC2 ZINC000172792735 377760308 /nfs/dbraw/zinc/76/03/08/377760308.db2.gz FDTWAGMSQPPLEF-UHFFFAOYSA-N 1 2 298.321 1.349 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057908027 377861579 /nfs/dbraw/zinc/86/15/79/377861579.db2.gz GBBYQKNPNFHMQD-CQSZACIVSA-N 1 2 262.357 1.276 20 30 CDEDLO C[C@H]([C@H](C)[N@H+](C)Cc1ccc(F)c(C#N)c1)S(C)(=O)=O ZINC000120927762 378340756 /nfs/dbraw/zinc/34/07/56/378340756.db2.gz QNBNECICOZQKRJ-WDEREUQCSA-N 1 2 298.383 1.951 20 30 CDEDLO C[C@H]([C@H](C)[N@@H+](C)Cc1ccc(F)c(C#N)c1)S(C)(=O)=O ZINC000120927762 378340758 /nfs/dbraw/zinc/34/07/58/378340758.db2.gz QNBNECICOZQKRJ-WDEREUQCSA-N 1 2 298.383 1.951 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2scnc2C)CC1 ZINC000064443700 378398626 /nfs/dbraw/zinc/39/86/26/378398626.db2.gz RMYWVBGYJRJASI-UHFFFAOYSA-N 1 2 263.366 1.233 20 30 CDEDLO C=CC[C@H](CC)Nc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000291263344 378439877 /nfs/dbraw/zinc/43/98/77/378439877.db2.gz ZGJUOTPCAFHIQT-LBPRGKRZSA-N 1 2 289.383 1.522 20 30 CDEDLO C=CC[C@H](CC)Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000291263344 378439885 /nfs/dbraw/zinc/43/98/85/378439885.db2.gz ZGJUOTPCAFHIQT-LBPRGKRZSA-N 1 2 289.383 1.522 20 30 CDEDLO C#CCNC(=O)CC[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000292925799 378527268 /nfs/dbraw/zinc/52/72/68/378527268.db2.gz YLQGLZTUXJIKTA-ZDUSSCGKSA-N 1 2 278.377 1.261 20 30 CDEDLO C#CCNC(=O)CC[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000292925799 378527277 /nfs/dbraw/zinc/52/72/77/378527277.db2.gz YLQGLZTUXJIKTA-ZDUSSCGKSA-N 1 2 278.377 1.261 20 30 CDEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000293221836 378548205 /nfs/dbraw/zinc/54/82/05/378548205.db2.gz RSRCVMQTMDCYJG-LLVKDONJSA-N 1 2 275.308 1.877 20 30 CDEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000293221836 378548206 /nfs/dbraw/zinc/54/82/06/378548206.db2.gz RSRCVMQTMDCYJG-LLVKDONJSA-N 1 2 275.308 1.877 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N(C)CCOc1ccccc1F ZINC000293006669 378532991 /nfs/dbraw/zinc/53/29/91/378532991.db2.gz DHZKWCHZKPOCCU-UHFFFAOYSA-N 1 2 292.354 1.618 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N(C)CCOc1ccccc1F ZINC000293006669 378532998 /nfs/dbraw/zinc/53/29/98/378532998.db2.gz DHZKWCHZKPOCCU-UHFFFAOYSA-N 1 2 292.354 1.618 20 30 CDEDLO C=CCNC(=O)C[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000186065679 378852222 /nfs/dbraw/zinc/85/22/22/378852222.db2.gz FVOFLJGMZRYTTI-UHFFFAOYSA-N 1 2 278.274 1.132 20 30 CDEDLO Cn1cc(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)cc1C#N ZINC000278656798 194087197 /nfs/dbraw/zinc/08/71/97/194087197.db2.gz JZFJCGIBGFWERN-AWEZNQCLSA-N 1 2 295.408 1.296 20 30 CDEDLO Cn1cc(C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)cc1C#N ZINC000278656798 194087200 /nfs/dbraw/zinc/08/72/00/194087200.db2.gz JZFJCGIBGFWERN-AWEZNQCLSA-N 1 2 295.408 1.296 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@H](C)c1nnnn1C1CCCCC1 ZINC000662168673 412917235 /nfs/dbraw/zinc/91/72/35/412917235.db2.gz QDWJRDKIPYHCGT-GHMZBOCLSA-N 1 2 265.361 1.376 20 30 CDEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H]3COCCO3)CCO2)c1 ZINC000450652193 251390046 /nfs/dbraw/zinc/39/00/46/251390046.db2.gz UOUIMYBJFDHART-HOTGVXAUSA-N 1 2 288.347 1.347 20 30 CDEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H]3COCCO3)CCO2)c1 ZINC000450652193 251390049 /nfs/dbraw/zinc/39/00/49/251390049.db2.gz UOUIMYBJFDHART-HOTGVXAUSA-N 1 2 288.347 1.347 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)/C=C/c1ccc(C#N)cc1 ZINC000491479653 253084272 /nfs/dbraw/zinc/08/42/72/253084272.db2.gz SGPQHMNLYMTNJM-VOTSOKGWSA-N 1 2 266.304 1.621 20 30 CDEDLO C=CCN(C(=O)NCc1[nH+]ccn1C)[C@H](C)COC ZINC000663975174 412990332 /nfs/dbraw/zinc/99/03/32/412990332.db2.gz ONKXGGONRXOSQY-LLVKDONJSA-N 1 2 266.345 1.153 20 30 CDEDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000497056297 254007757 /nfs/dbraw/zinc/00/77/57/254007757.db2.gz RMNIYZPDUZDJLA-LBPRGKRZSA-N 1 2 291.326 1.970 20 30 CDEDLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000497056297 254007758 /nfs/dbraw/zinc/00/77/58/254007758.db2.gz RMNIYZPDUZDJLA-LBPRGKRZSA-N 1 2 291.326 1.970 20 30 CDEDLO C[C@@H](C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)c1cccc(C#N)c1 ZINC000462460055 412996633 /nfs/dbraw/zinc/99/66/33/412996633.db2.gz QFNZTQGBZURYJB-UHOFOFEASA-N 1 2 299.374 1.203 20 30 CDEDLO C[C@@H](C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)c1cccc(C#N)c1 ZINC000462460055 412996646 /nfs/dbraw/zinc/99/66/46/412996646.db2.gz QFNZTQGBZURYJB-UHOFOFEASA-N 1 2 299.374 1.203 20 30 CDEDLO C[C@H](C(=O)N[C@@H](C)c1ncon1)[NH+]1CCSCC1 ZINC000329232623 227369158 /nfs/dbraw/zinc/36/91/58/227369158.db2.gz GDUXCMXORLFTMU-DTWKUNHWSA-N 1 2 270.358 1.524 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCCCS(C)(=O)=O)ccc1F ZINC000103136113 390472706 /nfs/dbraw/zinc/47/27/06/390472706.db2.gz QPZHJJXCCSVREN-UHFFFAOYSA-N 1 2 288.344 1.206 20 30 CDEDLO CCC[N@@H+](CC#N)CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000103469480 390478134 /nfs/dbraw/zinc/47/81/34/390478134.db2.gz BQESUXUBFVYIAC-UHFFFAOYSA-N 1 2 289.335 1.979 20 30 CDEDLO CCC[N@H+](CC#N)CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000103469480 390478136 /nfs/dbraw/zinc/47/81/36/390478136.db2.gz BQESUXUBFVYIAC-UHFFFAOYSA-N 1 2 289.335 1.979 20 30 CDEDLO C[C@@H]1C[N@H+](CCO)CCN1c1nccc(C#N)c1Cl ZINC000450956914 390582892 /nfs/dbraw/zinc/58/28/92/390582892.db2.gz SIPBZSPZZYNZRK-SNVBAGLBSA-N 1 2 280.759 1.109 20 30 CDEDLO C[C@@H]1C[N@@H+](CCO)CCN1c1nccc(C#N)c1Cl ZINC000450956914 390582893 /nfs/dbraw/zinc/58/28/93/390582893.db2.gz SIPBZSPZZYNZRK-SNVBAGLBSA-N 1 2 280.759 1.109 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000648174578 390880057 /nfs/dbraw/zinc/88/00/57/390880057.db2.gz PIBJFGWAUNOZKH-PWSUYJOCSA-N 1 2 261.325 1.677 20 30 CDEDLO Oc1ccc(/C=N/[C@@H]2CCN(c3cccc[nH+]3)C2)c(O)c1O ZINC000133119074 390934881 /nfs/dbraw/zinc/93/48/81/390934881.db2.gz IIDIBCMQAXZDMR-KBSHCFNASA-N 1 2 299.330 1.896 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000171832822 390945695 /nfs/dbraw/zinc/94/56/95/390945695.db2.gz AZQBOCPSCLZIFF-RKDXNWHRSA-N 1 2 263.263 1.384 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000171832822 390945696 /nfs/dbraw/zinc/94/56/96/390945696.db2.gz AZQBOCPSCLZIFF-RKDXNWHRSA-N 1 2 263.263 1.384 20 30 CDEDLO N#CCC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000153663649 390895647 /nfs/dbraw/zinc/89/56/47/390895647.db2.gz IPSKPGKAHLEESZ-UHFFFAOYSA-N 1 2 258.256 1.541 20 30 CDEDLO C[N@@H+]1CCc2nc(NC(=O)C3(C#N)CCC3)sc2C1 ZINC000126360605 390920756 /nfs/dbraw/zinc/92/07/56/390920756.db2.gz FXVWEBUCIMRJAK-UHFFFAOYSA-N 1 2 276.365 1.763 20 30 CDEDLO C[N@H+]1CCc2nc(NC(=O)C3(C#N)CCC3)sc2C1 ZINC000126360605 390920757 /nfs/dbraw/zinc/92/07/57/390920757.db2.gz FXVWEBUCIMRJAK-UHFFFAOYSA-N 1 2 276.365 1.763 20 30 CDEDLO C[C@@H]1OCC[C@@]1(C)NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329578750 391019622 /nfs/dbraw/zinc/01/96/22/391019622.db2.gz TYYVEHLMARROOP-XHDPSFHLSA-N 1 2 292.383 1.791 20 30 CDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC000364493124 390964907 /nfs/dbraw/zinc/96/49/07/390964907.db2.gz HHJZVNQPIVKROG-CQSZACIVSA-N 1 2 296.334 1.035 20 30 CDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC000364493124 390964908 /nfs/dbraw/zinc/96/49/08/390964908.db2.gz HHJZVNQPIVKROG-CQSZACIVSA-N 1 2 296.334 1.035 20 30 CDEDLO CN(CCC#N)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000351808562 391096498 /nfs/dbraw/zinc/09/64/98/391096498.db2.gz GOWVYEHNMZXLTL-UHFFFAOYSA-N 1 2 282.347 1.846 20 30 CDEDLO Cc1cc(C)nc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000329637684 391055733 /nfs/dbraw/zinc/05/57/33/391055733.db2.gz VSJSJURZGIVZAH-CHWSQXEVSA-N 1 2 290.367 1.259 20 30 CDEDLO Cc1cc(C)nc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000329637684 391055736 /nfs/dbraw/zinc/05/57/36/391055736.db2.gz VSJSJURZGIVZAH-CHWSQXEVSA-N 1 2 290.367 1.259 20 30 CDEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)N[C@@H]1CCCOC1 ZINC000329646193 391063263 /nfs/dbraw/zinc/06/32/63/391063263.db2.gz JMERGKUCQZFMHS-VXGBXAGGSA-N 1 2 278.356 1.443 20 30 CDEDLO CC[C@H](C)NC(=O)CO[NH+]=C(N)c1cccc(OC)c1 ZINC000174211944 391118752 /nfs/dbraw/zinc/11/87/52/391118752.db2.gz ANKUWHHNGJOCGV-JTQLQIEISA-N 1 2 279.340 1.247 20 30 CDEDLO COc1cccc(C(N)=[NH+]OCc2nc(C3CC3)no2)c1 ZINC000174212805 391118921 /nfs/dbraw/zinc/11/89/21/391118921.db2.gz XEVUQSGEOZPQSG-UHFFFAOYSA-N 1 2 288.307 1.793 20 30 CDEDLO C=CCCOCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000373575289 391124100 /nfs/dbraw/zinc/12/41/00/391124100.db2.gz JULWNRSERRWEQU-HNNXBMFYSA-N 1 2 296.411 1.339 20 30 CDEDLO C=CCCOCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000373575289 391124102 /nfs/dbraw/zinc/12/41/02/391124102.db2.gz JULWNRSERRWEQU-HNNXBMFYSA-N 1 2 296.411 1.339 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000352432761 391135460 /nfs/dbraw/zinc/13/54/60/391135460.db2.gz NDHCURNMONVNHE-OFQRWUPVSA-N 1 2 298.427 1.441 20 30 CDEDLO COc1ccc(C[NH+]2CCN(CC#N)CC2)cc1Cl ZINC000179401606 391205038 /nfs/dbraw/zinc/20/50/38/391205038.db2.gz SIMNUNNHLPYAGH-UHFFFAOYSA-N 1 2 279.771 1.990 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2Cc3cccc(F)c3C2)C1=O ZINC000335154130 391333251 /nfs/dbraw/zinc/33/32/51/391333251.db2.gz FZEATZJEPPBAPI-AWEZNQCLSA-N 1 2 260.312 1.928 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2Cc3cccc(F)c3C2)C1=O ZINC000335154130 391333255 /nfs/dbraw/zinc/33/32/55/391333255.db2.gz FZEATZJEPPBAPI-AWEZNQCLSA-N 1 2 260.312 1.928 20 30 CDEDLO N#C[C@H]1CN(Cc2[nH+]ccn2CC(F)(F)F)CCO1 ZINC000330366103 391405980 /nfs/dbraw/zinc/40/59/80/391405980.db2.gz XBKFLSBQOOSXQT-VIFPVBQESA-N 1 2 274.246 1.170 20 30 CDEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H]1COC[C@H]1O ZINC000411192683 391406190 /nfs/dbraw/zinc/40/61/90/391406190.db2.gz RPVHLOUSYZKGPH-ZIAGYGMSSA-N 1 2 251.301 1.573 20 30 CDEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H]1COC[C@H]1O ZINC000411192683 391406193 /nfs/dbraw/zinc/40/61/93/391406193.db2.gz RPVHLOUSYZKGPH-ZIAGYGMSSA-N 1 2 251.301 1.573 20 30 CDEDLO Cc1nc(N2CCC(F)(C#N)CC2)nc(N(C)C)[nH+]1 ZINC000343225541 391346820 /nfs/dbraw/zinc/34/68/20/391346820.db2.gz SYFRIPCMYVFUSY-UHFFFAOYSA-N 1 2 264.308 1.078 20 30 CDEDLO Cc1nc(N(C)C)nc(N2CCC(F)(C#N)CC2)[nH+]1 ZINC000343225541 391346824 /nfs/dbraw/zinc/34/68/24/391346824.db2.gz SYFRIPCMYVFUSY-UHFFFAOYSA-N 1 2 264.308 1.078 20 30 CDEDLO Cc1occc1C[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000346820898 391373216 /nfs/dbraw/zinc/37/32/16/391373216.db2.gz ISVRQSLBNHDOAZ-UHFFFAOYSA-N 1 2 261.325 1.582 20 30 CDEDLO Cc1occc1C[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000346820898 391373219 /nfs/dbraw/zinc/37/32/19/391373219.db2.gz ISVRQSLBNHDOAZ-UHFFFAOYSA-N 1 2 261.325 1.582 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]1COCCN1C)CCC2 ZINC000328930086 391395889 /nfs/dbraw/zinc/39/58/89/391395889.db2.gz AMKWHYFAFFKVOK-STQMWFEESA-N 1 2 292.383 1.356 20 30 CDEDLO CC[C@H](C(=O)N(CC)CC#N)[N@@H+]1CCO[C@@H](CC)C1 ZINC000330463471 391426485 /nfs/dbraw/zinc/42/64/85/391426485.db2.gz UUYONZLDRUERLJ-QWHCGFSZSA-N 1 2 267.373 1.248 20 30 CDEDLO CC[C@H](C(=O)N(CC)CC#N)[N@H+]1CCO[C@@H](CC)C1 ZINC000330463471 391426490 /nfs/dbraw/zinc/42/64/90/391426490.db2.gz UUYONZLDRUERLJ-QWHCGFSZSA-N 1 2 267.373 1.248 20 30 CDEDLO C[C@@H](C#N)CN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000366284757 391509300 /nfs/dbraw/zinc/50/93/00/391509300.db2.gz OUPDDEUOHWHQIG-GXTWGEPZSA-N 1 2 279.384 1.248 20 30 CDEDLO C[C@@H](C#N)CN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000366284757 391509306 /nfs/dbraw/zinc/50/93/06/391509306.db2.gz OUPDDEUOHWHQIG-GXTWGEPZSA-N 1 2 279.384 1.248 20 30 CDEDLO CCOC(=O)[C@@H]([NH2+]CCCC#N)[C@H]1CCCOC1 ZINC000359804747 391616857 /nfs/dbraw/zinc/61/68/57/391616857.db2.gz IJPGBUPDPDOLSX-RYUDHWBXSA-N 1 2 254.330 1.238 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360623183 391666435 /nfs/dbraw/zinc/66/64/35/391666435.db2.gz VSCMMKTYGUSKDB-HNNXBMFYSA-N 1 2 274.364 1.662 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360623183 391666436 /nfs/dbraw/zinc/66/64/36/391666436.db2.gz VSCMMKTYGUSKDB-HNNXBMFYSA-N 1 2 274.364 1.662 20 30 CDEDLO CCO[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccccc1 ZINC000519645820 391680289 /nfs/dbraw/zinc/68/02/89/391680289.db2.gz GDCRWACOUVEZEG-HOCLYGCPSA-N 1 2 289.379 1.724 20 30 CDEDLO C=CCOC[C@@H](NCc1cccc2[nH+]ccn21)C(=O)OC ZINC000361113011 391683616 /nfs/dbraw/zinc/68/36/16/391683616.db2.gz KFDRPQSXRHMGTK-CYBMUJFWSA-N 1 2 289.335 1.168 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H]1CCCC[C@@H]1C)C(=O)OC ZINC000361115163 391683701 /nfs/dbraw/zinc/68/37/01/391683701.db2.gz WLBDAMXPQIJZAG-AVGNSLFASA-N 1 2 255.358 1.899 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000413273598 391736024 /nfs/dbraw/zinc/73/60/24/391736024.db2.gz SJCGKUUHDZOEQJ-JMSVASOKSA-N 1 2 292.383 1.084 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000413273598 391736028 /nfs/dbraw/zinc/73/60/28/391736028.db2.gz SJCGKUUHDZOEQJ-JMSVASOKSA-N 1 2 292.383 1.084 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@]23CCOC3=O)s1 ZINC000190042019 130054383 /nfs/dbraw/zinc/05/43/83/130054383.db2.gz ACTWYTDVDVPQHW-CYBMUJFWSA-N 1 2 262.334 1.901 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@]23CCOC3=O)s1 ZINC000190042019 130054385 /nfs/dbraw/zinc/05/43/85/130054385.db2.gz ACTWYTDVDVPQHW-CYBMUJFWSA-N 1 2 262.334 1.901 20 30 CDEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCC[C@H]1CCOC1 ZINC000329763523 391774646 /nfs/dbraw/zinc/77/46/46/391774646.db2.gz UQTAPXOBEZZYPU-NWDGAFQWSA-N 1 2 256.346 1.090 20 30 CDEDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCC[C@H]1CCOC1 ZINC000329763523 391774652 /nfs/dbraw/zinc/77/46/52/391774652.db2.gz UQTAPXOBEZZYPU-NWDGAFQWSA-N 1 2 256.346 1.090 20 30 CDEDLO CO[C@H]1C[C@@H](N(C)C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329750325 391770579 /nfs/dbraw/zinc/77/05/79/391770579.db2.gz UZDAYEKZKUDVDC-GARJFASQSA-N 1 2 278.356 1.290 20 30 CDEDLO CO[C@H]1C[C@@H](N(C)C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329750325 391770586 /nfs/dbraw/zinc/77/05/86/391770586.db2.gz UZDAYEKZKUDVDC-GARJFASQSA-N 1 2 278.356 1.290 20 30 CDEDLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191198516 130199480 /nfs/dbraw/zinc/19/94/80/130199480.db2.gz ONLRIXFPEPXKQF-CYBMUJFWSA-N 1 2 261.325 1.424 20 30 CDEDLO COC(=O)[C@H]1CCCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191198516 130199482 /nfs/dbraw/zinc/19/94/82/130199482.db2.gz ONLRIXFPEPXKQF-CYBMUJFWSA-N 1 2 261.325 1.424 20 30 CDEDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191539431 130250429 /nfs/dbraw/zinc/25/04/29/130250429.db2.gz BWZZCOWNGMMJON-AWEZNQCLSA-N 1 2 274.368 1.243 20 30 CDEDLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191539431 130250432 /nfs/dbraw/zinc/25/04/32/130250432.db2.gz BWZZCOWNGMMJON-AWEZNQCLSA-N 1 2 274.368 1.243 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)C1CCC(=O)CC1)[NH+]1CCOCC1 ZINC000329874118 391793293 /nfs/dbraw/zinc/79/32/93/391793293.db2.gz CQAWFPKRLHAVCJ-NWDGAFQWSA-N 1 2 282.384 1.811 20 30 CDEDLO Cc1csc(NC(=O)CN2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000329952628 391805516 /nfs/dbraw/zinc/80/55/16/391805516.db2.gz IXVVGMMUYYFUMH-GHMZBOCLSA-N 1 2 296.396 1.054 20 30 CDEDLO Cc1csc(NC(=O)CN2C[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000329952628 391805519 /nfs/dbraw/zinc/80/55/19/391805519.db2.gz IXVVGMMUYYFUMH-GHMZBOCLSA-N 1 2 296.396 1.054 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(C)CCCOc1ccccc1 ZINC000192219963 130396178 /nfs/dbraw/zinc/39/61/78/130396178.db2.gz VXHPMEAVTKYEFY-UHFFFAOYSA-N 1 2 274.364 1.479 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N(C)CCCOc1ccccc1 ZINC000192219963 130396180 /nfs/dbraw/zinc/39/61/80/130396180.db2.gz VXHPMEAVTKYEFY-UHFFFAOYSA-N 1 2 274.364 1.479 20 30 CDEDLO C[C@@H]1SCCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC000330186526 391813070 /nfs/dbraw/zinc/81/30/70/391813070.db2.gz JVWTVXWXMXHTRQ-SDDRHHMPSA-N 1 2 294.424 1.938 20 30 CDEDLO CC1(C)CNC(=O)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000334227954 392043717 /nfs/dbraw/zinc/04/37/17/392043717.db2.gz GGYNWUCOHGUNJN-UHFFFAOYSA-N 1 2 257.337 1.463 20 30 CDEDLO CC1(C)CNC(=O)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000334227954 392043725 /nfs/dbraw/zinc/04/37/25/392043725.db2.gz GGYNWUCOHGUNJN-UHFFFAOYSA-N 1 2 257.337 1.463 20 30 CDEDLO C=CCCCCCN(C)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000345216470 392138630 /nfs/dbraw/zinc/13/86/30/392138630.db2.gz UEOAJSRYFXNCAN-ZDUSSCGKSA-N 1 2 254.374 1.522 20 30 CDEDLO C=CCCCCCN(C)C(=O)[C@@H]1COCC[N@H+]1C ZINC000345216470 392138635 /nfs/dbraw/zinc/13/86/35/392138635.db2.gz UEOAJSRYFXNCAN-ZDUSSCGKSA-N 1 2 254.374 1.522 20 30 CDEDLO Cc1nc(N2CC[NH+](Cc3cnn(C)c3)CC2)ccc1C#N ZINC000488057086 392225594 /nfs/dbraw/zinc/22/55/94/392225594.db2.gz MHASFMDASAVIRN-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO CC[C@H](C(N)=O)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000263757255 131323381 /nfs/dbraw/zinc/32/33/81/131323381.db2.gz HLNIEMSYCMRNLH-CYBMUJFWSA-N 1 2 290.342 1.083 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000490778286 392538965 /nfs/dbraw/zinc/53/89/65/392538965.db2.gz CRBXJIGWQXBWDZ-UHFFFAOYSA-N 1 2 299.374 1.707 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000490778286 392538968 /nfs/dbraw/zinc/53/89/68/392538968.db2.gz CRBXJIGWQXBWDZ-UHFFFAOYSA-N 1 2 299.374 1.707 20 30 CDEDLO Cn1c[nH+]cc1CN1CC(Oc2ccc(C#N)cc2)C1 ZINC000459623147 392493289 /nfs/dbraw/zinc/49/32/89/392493289.db2.gz YUOOEVDMWGCKAU-UHFFFAOYSA-N 1 2 268.320 1.555 20 30 CDEDLO N#Cc1csc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000370805844 392968628 /nfs/dbraw/zinc/96/86/28/392968628.db2.gz JXYGGSKIDTVDOK-GFCCVEGCSA-N 1 2 291.376 1.166 20 30 CDEDLO Cc1cc(N2CC[NH+](Cc3cnn(C)c3)CC2)c(C#N)cn1 ZINC000425218887 392995516 /nfs/dbraw/zinc/99/55/16/392995516.db2.gz AFTDPUDOAKHNCY-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO Cc1cc(NCc2ccc(OCCO)cc2)c(C#N)c[nH+]1 ZINC000425218034 392995827 /nfs/dbraw/zinc/99/58/27/392995827.db2.gz WROVJGUKTJIJRX-UHFFFAOYSA-N 1 2 283.331 1.667 20 30 CDEDLO CNC(=O)CC1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425223271 392995959 /nfs/dbraw/zinc/99/59/59/392995959.db2.gz BZGVMINNVHWBQH-UHFFFAOYSA-N 1 2 272.352 1.614 20 30 CDEDLO CC(=O)NC1CCC(Nc2cc(C)[nH+]cc2C#N)CC1 ZINC000425232985 392999280 /nfs/dbraw/zinc/99/92/80/392999280.db2.gz WQRLUKYSGNUGGM-UHFFFAOYSA-N 1 2 272.352 1.543 20 30 CDEDLO Cc1cc(N2CCC(CC(=O)N(C)C)CC2)c(C#N)c[nH+]1 ZINC000425244544 393002546 /nfs/dbraw/zinc/00/25/46/393002546.db2.gz HRWKEYSBIVPWRU-UHFFFAOYSA-N 1 2 286.379 1.956 20 30 CDEDLO N#Cc1ccc2c(c1)N(C(=O)C=Cc1c[nH]c[nH+]1)CC2 ZINC000492901433 393212219 /nfs/dbraw/zinc/21/22/19/393212219.db2.gz PHKSLVGOSJOBEC-ARJAWSKDSA-N 1 2 264.288 1.884 20 30 CDEDLO CC[C@@H](C)[C@H]([NH2+]Cc1cc(C#N)n(C)c1)C(=O)OC ZINC000232314532 140221729 /nfs/dbraw/zinc/22/17/29/140221729.db2.gz HTBVCTZQWKXKIP-MFKMUULPSA-N 1 2 263.341 1.574 20 30 CDEDLO CC[C@@H](C)[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)C(=O)OC ZINC000232314530 140221804 /nfs/dbraw/zinc/22/18/04/140221804.db2.gz HTBVCTZQWKXKIP-ZWNOBZJWSA-N 1 2 263.341 1.574 20 30 CDEDLO Cc1ccc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c(=O)[nH]1 ZINC000329614365 292038613 /nfs/dbraw/zinc/03/86/13/292038613.db2.gz PEANWQAUKRSGON-SECBINFHSA-N 1 2 272.308 1.681 20 30 CDEDLO Cc1ccc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c(=O)[nH]1 ZINC000329614365 292038614 /nfs/dbraw/zinc/03/86/14/292038614.db2.gz PEANWQAUKRSGON-SECBINFHSA-N 1 2 272.308 1.681 20 30 CDEDLO Cc1ccc(C#N)c(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)n1 ZINC000286358009 292045122 /nfs/dbraw/zinc/04/51/22/292045122.db2.gz MZTXSMKFUZXDRM-DZGCQCFKSA-N 1 2 286.379 1.561 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc3ccccc3n2)C1=O ZINC000660464670 413146626 /nfs/dbraw/zinc/14/66/26/413146626.db2.gz REEVRYBDZYMJLE-MRXNPFEDSA-N 1 2 296.374 1.849 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc3ccccc3n2)C1=O ZINC000660464670 413146631 /nfs/dbraw/zinc/14/66/31/413146631.db2.gz REEVRYBDZYMJLE-MRXNPFEDSA-N 1 2 296.374 1.849 20 30 CDEDLO CCC#C[C@H](C)[N@@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000650099777 397719818 /nfs/dbraw/zinc/71/98/18/397719818.db2.gz LTMOPDWTFQVHLB-KBPBESRZSA-N 1 2 269.410 1.689 20 30 CDEDLO CCC#C[C@H](C)[N@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000650099777 397719822 /nfs/dbraw/zinc/71/98/22/397719822.db2.gz LTMOPDWTFQVHLB-KBPBESRZSA-N 1 2 269.410 1.689 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)Cc1c(F)cccc1C#N ZINC000352583461 155284402 /nfs/dbraw/zinc/28/44/02/155284402.db2.gz OWCQBDOKCNLXNV-UHFFFAOYSA-N 1 2 272.283 1.290 20 30 CDEDLO Cc1ccc(C#N)c(N2CC[NH+](Cc3cnn(C)c3)CC2)n1 ZINC000346847305 153325909 /nfs/dbraw/zinc/32/59/09/153325909.db2.gz HJCJJZHJPFKMAL-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO CNc1ccc(C#N)cc1NC(=O)CCn1cc[nH+]c1 ZINC000355643047 157161781 /nfs/dbraw/zinc/16/17/81/157161781.db2.gz LYCHWXFABYWEMJ-UHFFFAOYSA-N 1 2 269.308 1.825 20 30 CDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCOC3(CCC3)C2)c1 ZINC000371386126 160003489 /nfs/dbraw/zinc/00/34/89/160003489.db2.gz WXYUBTMBTVAQGV-UHFFFAOYSA-N 1 2 299.374 1.429 20 30 CDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCOC3(CCC3)C2)c1 ZINC000371386126 160003490 /nfs/dbraw/zinc/00/34/90/160003490.db2.gz WXYUBTMBTVAQGV-UHFFFAOYSA-N 1 2 299.374 1.429 20 30 CDEDLO C=CCCCNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000664784924 413653017 /nfs/dbraw/zinc/65/30/17/413653017.db2.gz NRBPWRCIDKSOSS-GFCCVEGCSA-N 1 2 294.399 1.745 20 30 CDEDLO C=CCN(C(=O)NCc1c[nH+]ccc1OC)[C@@H](C)COC ZINC000664952181 413755860 /nfs/dbraw/zinc/75/58/60/413755860.db2.gz KEXBOABDVDEFPJ-LBPRGKRZSA-N 1 2 293.367 1.823 20 30 CDEDLO C#CC[N@@H+](CC(=O)N(CC)CC)Cc1ccccc1 ZINC000285786540 196398909 /nfs/dbraw/zinc/39/89/09/196398909.db2.gz SWMIZEAWTIFOOY-UHFFFAOYSA-N 1 2 258.365 1.990 20 30 CDEDLO C#CC[N@H+](CC(=O)N(CC)CC)Cc1ccccc1 ZINC000285786540 196398910 /nfs/dbraw/zinc/39/89/10/196398910.db2.gz SWMIZEAWTIFOOY-UHFFFAOYSA-N 1 2 258.365 1.990 20 30 CDEDLO C=C[C@](C)(O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000665437635 414181587 /nfs/dbraw/zinc/18/15/87/414181587.db2.gz GSKGGJFFGJBALW-AWEZNQCLSA-N 1 2 280.393 1.329 20 30 CDEDLO C=CCCn1cc(CN[C@H]2C[C@H](C)n3cc[nH+]c32)nn1 ZINC000657485337 414384619 /nfs/dbraw/zinc/38/46/19/414384619.db2.gz ZKJSYGWOMCOJBS-AAEUAGOBSA-N 1 2 272.356 1.846 20 30 CDEDLO COC(=O)[C@H]1CCCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000040013647 174182955 /nfs/dbraw/zinc/18/29/55/174182955.db2.gz KKZPCSBHBOOADK-OAHLLOKOSA-N 1 2 288.347 1.965 20 30 CDEDLO COC(=O)[C@H]1CCCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000040013647 174182958 /nfs/dbraw/zinc/18/29/58/174182958.db2.gz KKZPCSBHBOOADK-OAHLLOKOSA-N 1 2 288.347 1.965 20 30 CDEDLO C[C@H](C#N)C[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000045173533 175322371 /nfs/dbraw/zinc/32/23/71/175322371.db2.gz TXHXUILXAPEIRQ-SNVBAGLBSA-N 1 2 252.339 1.339 20 30 CDEDLO C=CC[N@H+](C)Cc1cc(-c2nn[nH]n2)cnc1Cl ZINC001588626864 1173090575 /nfs/dbraw/zinc/09/05/75/1173090575.db2.gz TWFSQMBTNJUGLE-UHFFFAOYSA-N 1 2 264.720 1.533 20 30 CDEDLO C=CC[N@@H+](C)Cc1cc(-c2nn[nH]n2)cnc1Cl ZINC001588626864 1173090562 /nfs/dbraw/zinc/09/05/62/1173090562.db2.gz TWFSQMBTNJUGLE-UHFFFAOYSA-N 1 2 264.720 1.533 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000347069502 226013218 /nfs/dbraw/zinc/01/32/18/226013218.db2.gz NERGIFNEDXNPBE-ZWNOBZJWSA-N 1 2 286.310 1.924 20 30 CDEDLO C[S@@](=O)C[C@H]([NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000347656765 226228012 /nfs/dbraw/zinc/22/80/12/226228012.db2.gz UGGLGVDWIGXMLN-SCLBCKFNSA-N 1 2 262.378 2.000 20 30 CDEDLO O=C(N[C@@H](CO)C1CCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329747929 227935231 /nfs/dbraw/zinc/93/52/31/227935231.db2.gz SRFGBQXSBJRLEK-OCCSQVGLSA-N 1 2 277.368 1.953 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)c1csc(=O)[nH]1)[NH+]1CCOCC1 ZINC000329981701 228005121 /nfs/dbraw/zinc/00/51/21/228005121.db2.gz NTHMECSLTFVDDK-DTWKUNHWSA-N 1 2 285.369 1.263 20 30 CDEDLO C[C@H](NC(=O)N1CCn2cc[nH+]c2C1)C1CCOCC1 ZINC000329996814 228011068 /nfs/dbraw/zinc/01/10/68/228011068.db2.gz PMNMDHGQYFDZEM-NSHDSACASA-N 1 2 278.356 1.428 20 30 CDEDLO Cc1cc(N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c(C#N)c[nH+]1 ZINC000400999684 260130766 /nfs/dbraw/zinc/13/07/66/260130766.db2.gz UPMJOMBKVIXMMU-GHMZBOCLSA-N 1 2 279.365 1.274 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccccc1F ZINC000078681245 260302086 /nfs/dbraw/zinc/30/20/86/260302086.db2.gz HBNISNHXWFPNKL-UHFFFAOYSA-N 1 2 291.370 1.874 20 30 CDEDLO N#CCCCC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000156312084 261120212 /nfs/dbraw/zinc/12/02/12/261120212.db2.gz WQYWHTINBMBDSS-AWEZNQCLSA-N 1 2 257.337 1.853 20 30 CDEDLO N#CCCCC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000156312084 261120213 /nfs/dbraw/zinc/12/02/13/261120213.db2.gz WQYWHTINBMBDSS-AWEZNQCLSA-N 1 2 257.337 1.853 20 30 CDEDLO C#CCN(CC)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000490605622 261169765 /nfs/dbraw/zinc/16/97/65/261169765.db2.gz SBILPOIUFFTIKN-UHFFFAOYSA-N 1 2 288.273 1.610 20 30 CDEDLO N#C[C@H]1COCCN1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000177106402 261687012 /nfs/dbraw/zinc/68/70/12/261687012.db2.gz FBDJKPTZZQZVDD-LBPRGKRZSA-N 1 2 276.727 1.712 20 30 CDEDLO CCOCCO[NH+]=C(N)COc1cccc(F)c1 ZINC000186830339 262111440 /nfs/dbraw/zinc/11/14/40/262111440.db2.gz OYRJEARUWCDFTF-UHFFFAOYSA-N 1 2 256.277 1.530 20 30 CDEDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC#N ZINC000497242714 262123206 /nfs/dbraw/zinc/12/32/06/262123206.db2.gz HZJUXSQXFUFWDC-WDEREUQCSA-N 1 2 253.346 1.745 20 30 CDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cc(F)ccc1C ZINC000187144289 262125704 /nfs/dbraw/zinc/12/57/04/262125704.db2.gz XJVICYOOFSWAHJ-UHFFFAOYSA-N 1 2 281.331 1.838 20 30 CDEDLO COC(=O)[C@@H](C)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000193106063 262216510 /nfs/dbraw/zinc/21/65/10/262216510.db2.gz RRUHGWMPICJWBL-GFCCVEGCSA-N 1 2 275.352 1.688 20 30 CDEDLO Cc1ccc(CNC(=O)CO[NH+]=C(N)[C@@H]2CCCO2)cc1 ZINC000284623686 263087654 /nfs/dbraw/zinc/08/76/54/263087654.db2.gz ZSEJCHNWXKUEKK-ZDUSSCGKSA-N 1 2 291.351 1.079 20 30 CDEDLO C=CC[N@@H+](CCC#N)C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000292098665 263128420 /nfs/dbraw/zinc/12/84/20/263128420.db2.gz GDLKJYJCXAJEHG-HNNXBMFYSA-N 1 2 297.399 1.664 20 30 CDEDLO C=CC[N@H+](CCC#N)C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000292098665 263128421 /nfs/dbraw/zinc/12/84/21/263128421.db2.gz GDLKJYJCXAJEHG-HNNXBMFYSA-N 1 2 297.399 1.664 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000121089820 263289572 /nfs/dbraw/zinc/28/95/72/263289572.db2.gz QDVXHRHZTZPRMO-UONOGXRCSA-N 1 2 293.363 1.880 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000121089820 263289574 /nfs/dbraw/zinc/28/95/74/263289574.db2.gz QDVXHRHZTZPRMO-UONOGXRCSA-N 1 2 293.363 1.880 20 30 CDEDLO C=CC[N@@H+](C)Cc1csc(CC(=O)N(C)C)n1 ZINC000121134109 263289581 /nfs/dbraw/zinc/28/95/81/263289581.db2.gz FQMINLSTMALJPE-UHFFFAOYSA-N 1 2 253.371 1.392 20 30 CDEDLO C=CC[N@H+](C)Cc1csc(CC(=O)N(C)C)n1 ZINC000121134109 263289583 /nfs/dbraw/zinc/28/95/83/263289583.db2.gz FQMINLSTMALJPE-UHFFFAOYSA-N 1 2 253.371 1.392 20 30 CDEDLO CC[N@H+](CCC#N)Cc1ccc(OCC(=O)OC)cc1 ZINC000340926168 263312803 /nfs/dbraw/zinc/31/28/03/263312803.db2.gz WFCLRCVCZCIGOB-UHFFFAOYSA-N 1 2 276.336 1.974 20 30 CDEDLO CC[N@@H+](CCC#N)Cc1ccc(OCC(=O)OC)cc1 ZINC000340926168 263312804 /nfs/dbraw/zinc/31/28/04/263312804.db2.gz WFCLRCVCZCIGOB-UHFFFAOYSA-N 1 2 276.336 1.974 20 30 CDEDLO COCC1(C#N)CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000342001497 263375459 /nfs/dbraw/zinc/37/54/59/263375459.db2.gz WUJJVBNIKPWGTJ-AWEZNQCLSA-N 1 2 287.363 1.465 20 30 CDEDLO N#Cc1cccc(C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000044367006 269970736 /nfs/dbraw/zinc/97/07/36/269970736.db2.gz PGXYYQJZBJOMDR-UHFFFAOYSA-N 1 2 268.320 1.965 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000330736990 264038012 /nfs/dbraw/zinc/03/80/12/264038012.db2.gz MPZRUSVTZFVHAI-ZIAGYGMSSA-N 1 2 281.400 1.351 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000330736990 264038014 /nfs/dbraw/zinc/03/80/14/264038014.db2.gz MPZRUSVTZFVHAI-ZIAGYGMSSA-N 1 2 281.400 1.351 20 30 CDEDLO COc1cc(C(=O)NCC[NH+]2CCSCC2)on1 ZINC000330901494 264073093 /nfs/dbraw/zinc/07/30/93/264073093.db2.gz PFDKNLOYLSQHIL-UHFFFAOYSA-N 1 2 271.342 1.037 20 30 CDEDLO COCC(C)(C)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330934203 264078895 /nfs/dbraw/zinc/07/88/95/264078895.db2.gz HNPVYKRFJFEFJW-UHFFFAOYSA-N 1 2 287.404 1.026 20 30 CDEDLO COCC(C)(C)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330934203 264078898 /nfs/dbraw/zinc/07/88/98/264078898.db2.gz HNPVYKRFJFEFJW-UHFFFAOYSA-N 1 2 287.404 1.026 20 30 CDEDLO CC(C)n1cc(C(=O)NC(C)(C)C[NH+]2CCOCC2)cn1 ZINC000331356273 264208525 /nfs/dbraw/zinc/20/85/25/264208525.db2.gz RSOGLDSILIYMHX-UHFFFAOYSA-N 1 2 294.399 1.879 20 30 CDEDLO C=C(CC)CNC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000456815146 264346924 /nfs/dbraw/zinc/34/69/24/264346924.db2.gz XABJSVQCJTWIRS-KBPBESRZSA-N 1 2 268.401 1.958 20 30 CDEDLO C=C(CC)CNC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000456815146 264346927 /nfs/dbraw/zinc/34/69/27/264346927.db2.gz XABJSVQCJTWIRS-KBPBESRZSA-N 1 2 268.401 1.958 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000652998552 424091040 /nfs/dbraw/zinc/09/10/40/424091040.db2.gz QYUCGSRNHZDKAD-INIZCTEOSA-N 1 2 298.427 1.396 20 30 CDEDLO C=CCCn1cc(C[NH+]2CCC(OCC)CC2)nn1 ZINC000653504133 424222272 /nfs/dbraw/zinc/22/22/72/424222272.db2.gz IYDKYPCLHDJWDR-UHFFFAOYSA-N 1 2 264.373 1.855 20 30 CDEDLO C=CCCn1cc(C[NH+]2CCC(C)(O)CC2)nn1 ZINC000653569395 424294586 /nfs/dbraw/zinc/29/45/86/424294586.db2.gz OWDLPXFNGSHNCK-UHFFFAOYSA-N 1 2 250.346 1.201 20 30 CDEDLO CC1(C)C[N@H+](Cc2cccc(C#N)n2)C[C@]2(CCOC2)O1 ZINC000602643611 424589695 /nfs/dbraw/zinc/58/96/95/424589695.db2.gz GKUYDKQKSMFYGU-INIZCTEOSA-N 1 2 287.363 1.723 20 30 CDEDLO CC1(C)C[N@@H+](Cc2cccc(C#N)n2)C[C@]2(CCOC2)O1 ZINC000602643611 424589698 /nfs/dbraw/zinc/58/96/98/424589698.db2.gz GKUYDKQKSMFYGU-INIZCTEOSA-N 1 2 287.363 1.723 20 30 CDEDLO CC(C)(NC(=O)COc1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000516975494 266887284 /nfs/dbraw/zinc/88/72/84/266887284.db2.gz ACZRPHSOFVFWHN-UHFFFAOYSA-N 1 2 284.319 1.712 20 30 CDEDLO C#CCCCS(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000367805932 267118612 /nfs/dbraw/zinc/11/86/12/267118612.db2.gz FBIVBAHPJJITRY-GFCCVEGCSA-N 1 2 281.381 1.332 20 30 CDEDLO C#CCCCS(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000367819535 267120024 /nfs/dbraw/zinc/12/00/24/267120024.db2.gz RSNYMEFAJGDHKR-LBPRGKRZSA-N 1 2 281.381 1.680 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](C)COC ZINC001667545385 1173286920 /nfs/dbraw/zinc/28/69/20/1173286920.db2.gz IGZDEMFVYICPSL-SNVBAGLBSA-N 1 2 262.781 1.412 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](C)COC ZINC001667545385 1173286927 /nfs/dbraw/zinc/28/69/27/1173286927.db2.gz IGZDEMFVYICPSL-SNVBAGLBSA-N 1 2 262.781 1.412 20 30 CDEDLO C[C@H](C#N)NC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000349898415 278132990 /nfs/dbraw/zinc/13/29/90/278132990.db2.gz SUCBALNCOOIEET-LLVKDONJSA-N 1 2 294.358 1.865 20 30 CDEDLO C[C@H](C#N)NC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000349898415 278132992 /nfs/dbraw/zinc/13/29/92/278132992.db2.gz SUCBALNCOOIEET-LLVKDONJSA-N 1 2 294.358 1.865 20 30 CDEDLO N#Cc1ccc(C(=O)NCCCCNc2cccc[nH+]2)nc1 ZINC000068422735 279205052 /nfs/dbraw/zinc/20/50/52/279205052.db2.gz BBTMJLAWIAONKY-UHFFFAOYSA-N 1 2 295.346 1.970 20 30 CDEDLO CCOC(=O)C[N@H+](CC)Cc1ccc(OC)c(C#N)c1 ZINC000087832704 279256848 /nfs/dbraw/zinc/25/68/48/279256848.db2.gz WGAUYPRXQXPEQO-UHFFFAOYSA-N 1 2 276.336 1.952 20 30 CDEDLO CCOC(=O)C[N@@H+](CC)Cc1ccc(OC)c(C#N)c1 ZINC000087832704 279256849 /nfs/dbraw/zinc/25/68/49/279256849.db2.gz WGAUYPRXQXPEQO-UHFFFAOYSA-N 1 2 276.336 1.952 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)C[C@]2(CCOC2)O1 ZINC000355651034 288209956 /nfs/dbraw/zinc/20/99/56/288209956.db2.gz BCRGZRIXEHCQRO-RISCZKNCSA-N 1 2 278.377 2.000 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)C[C@]2(CCOC2)O1 ZINC000355651034 288209958 /nfs/dbraw/zinc/20/99/58/288209958.db2.gz BCRGZRIXEHCQRO-RISCZKNCSA-N 1 2 278.377 2.000 20 30 CDEDLO C[C@@H]1OCC[C@]1(C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329757104 288914787 /nfs/dbraw/zinc/91/47/87/288914787.db2.gz MRFOIQQPVHGUQW-WDMOLILDSA-N 1 2 263.341 1.970 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000556687754 290281022 /nfs/dbraw/zinc/28/10/22/290281022.db2.gz QYMUOKGVJQISBD-ZDUSSCGKSA-N 1 2 295.346 1.625 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C#N)CC1 ZINC000057879935 298135533 /nfs/dbraw/zinc/13/55/33/298135533.db2.gz XBNHSVGMRYUIEK-CYBMUJFWSA-N 1 2 288.395 1.953 20 30 CDEDLO C[C@]1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CCCOC1 ZINC000330299255 300742194 /nfs/dbraw/zinc/74/21/94/300742194.db2.gz HXDOVQXXJZJOGY-FZMZJTMJSA-N 1 2 263.341 1.971 20 30 CDEDLO CCc1noc(C)c1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000580837243 327746447 /nfs/dbraw/zinc/74/64/47/327746447.db2.gz QULYRQSSEAQOKN-CYBMUJFWSA-N 1 2 264.329 1.119 20 30 CDEDLO CC(C)CCOCCNC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057872687 327916756 /nfs/dbraw/zinc/91/67/56/327916756.db2.gz NILNNFMDWWWASI-UHFFFAOYSA-N 1 2 281.400 1.401 20 30 CDEDLO C=CCCCCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338223274 327970975 /nfs/dbraw/zinc/97/09/75/327970975.db2.gz ZRAIUZYKLOULOY-UHFFFAOYSA-N 1 2 254.374 1.570 20 30 CDEDLO O=C(NCC#Cc1cccc(F)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000338241749 327973400 /nfs/dbraw/zinc/97/34/00/327973400.db2.gz UMXOYYRGABTTPH-AWEZNQCLSA-N 1 2 297.333 1.753 20 30 CDEDLO CC1(C)C(=O)NCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000264555234 328160258 /nfs/dbraw/zinc/16/02/58/328160258.db2.gz MJSZNPNFSWKEMO-UHFFFAOYSA-N 1 2 273.336 1.299 20 30 CDEDLO CC1(C)C(=O)NCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000264555234 328160259 /nfs/dbraw/zinc/16/02/59/328160259.db2.gz MJSZNPNFSWKEMO-UHFFFAOYSA-N 1 2 273.336 1.299 20 30 CDEDLO COC(=O)[C@H](C)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000279999100 328234186 /nfs/dbraw/zinc/23/41/86/328234186.db2.gz RRUHGWMPICJWBL-LBPRGKRZSA-N 1 2 275.352 1.688 20 30 CDEDLO Cc1cc(N2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)c(C#N)c[nH+]1 ZINC000580641715 324518887 /nfs/dbraw/zinc/51/88/87/324518887.db2.gz JVXZLUFVAAAKME-KGLIPLIRSA-N 1 2 299.378 1.643 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CCS(=O)(=O)c1cccc(OC)c1 ZINC000584003141 326847267 /nfs/dbraw/zinc/84/72/67/326847267.db2.gz WNOUAOADZYYAQT-GFCCVEGCSA-N 1 2 296.392 1.751 20 30 CDEDLO CC[C@@H]1CCC[C@H]1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000584116900 327042389 /nfs/dbraw/zinc/04/23/89/327042389.db2.gz OGUOBFYUOAKAEJ-YRGRVCCFSA-N 1 2 251.374 1.773 20 30 CDEDLO C=CCn1cc(CN[C@@H]2C[C@@H](C)n3cc[nH+]c32)nn1 ZINC000569350284 327155316 /nfs/dbraw/zinc/15/53/16/327155316.db2.gz IQRBMTFFDCFCLQ-ZYHUDNBSSA-N 1 2 258.329 1.456 20 30 CDEDLO Cn1cc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c2ccccc21 ZINC000566306373 327297107 /nfs/dbraw/zinc/29/71/07/327297107.db2.gz NMQKBLKYPDFZKY-KRWDZBQOSA-N 1 2 298.390 1.681 20 30 CDEDLO CCc1ccccc1OCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000582761051 329148271 /nfs/dbraw/zinc/14/82/71/329148271.db2.gz YUVVPODXQUGCMT-INIZCTEOSA-N 1 2 289.379 1.588 20 30 CDEDLO CC#CCCCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000185129147 329268623 /nfs/dbraw/zinc/26/86/23/329268623.db2.gz KZBFZBDUGODZQW-ZDUSSCGKSA-N 1 2 252.358 1.017 20 30 CDEDLO CC#CCCCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000185698297 329329056 /nfs/dbraw/zinc/32/90/56/329329056.db2.gz VJQPPHXYJLNXCQ-HNNXBMFYSA-N 1 2 278.396 1.503 20 30 CDEDLO C[C@H](C#N)CNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000571732297 329915883 /nfs/dbraw/zinc/91/58/83/329915883.db2.gz MIHGIUOLZVKUEX-CYBMUJFWSA-N 1 2 282.347 1.750 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N[C@@]3(C#N)CCOC3)ccn12 ZINC000572376083 330022111 /nfs/dbraw/zinc/02/21/11/330022111.db2.gz BKCLYJFQOWHJRW-CQSZACIVSA-N 1 2 270.292 1.055 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cnn(CC(C)C)c2)nn1 ZINC000424166344 330309334 /nfs/dbraw/zinc/30/93/34/330309334.db2.gz ANEZPXWLBCTZCO-UHFFFAOYSA-N 1 2 274.372 1.606 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cccc(OCC)n2)nn1 ZINC000424168439 330310146 /nfs/dbraw/zinc/31/01/46/330310146.db2.gz FSSCGGDOSGXHKQ-UHFFFAOYSA-N 1 2 273.340 1.548 20 30 CDEDLO C[C@H](C(=O)Nc1cc(CC#N)ccn1)[NH+]1CCSCC1 ZINC000533089927 330333758 /nfs/dbraw/zinc/33/37/58/330333758.db2.gz XMCAPEMPUSMDOX-LLVKDONJSA-N 1 2 290.392 1.523 20 30 CDEDLO C=CCn1cc(CN[C@@H](CC)c2[nH+]ccn2C)nn1 ZINC000424297692 330336511 /nfs/dbraw/zinc/33/65/11/330336511.db2.gz RBLBQPMSXTZZIE-LBPRGKRZSA-N 1 2 260.345 1.439 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000121383384 330399751 /nfs/dbraw/zinc/39/97/51/330399751.db2.gz UZBFKBZPRLAIMP-UHFFFAOYSA-N 1 2 287.363 1.635 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000121383384 330399752 /nfs/dbraw/zinc/39/97/52/330399752.db2.gz UZBFKBZPRLAIMP-UHFFFAOYSA-N 1 2 287.363 1.635 20 30 CDEDLO CNc1nc(NCC2(CC#N)CC2)[nH+]c2ccccc21 ZINC000450504541 330984120 /nfs/dbraw/zinc/98/41/20/330984120.db2.gz VIKVUPQEXCILET-UHFFFAOYSA-N 1 2 267.336 1.621 20 30 CDEDLO C=CCC[C@H](CO)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000450900661 331005964 /nfs/dbraw/zinc/00/59/64/331005964.db2.gz UZEDCXXMQAMSSV-GFCCVEGCSA-N 1 2 262.357 1.816 20 30 CDEDLO C=CCC[C@H](CO)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000450900661 331005965 /nfs/dbraw/zinc/00/59/65/331005965.db2.gz UZEDCXXMQAMSSV-GFCCVEGCSA-N 1 2 262.357 1.816 20 30 CDEDLO N#CC1CC[NH+](CC(=O)NCC2CCCCC2)CC1 ZINC000195315550 331169064 /nfs/dbraw/zinc/16/90/64/331169064.db2.gz BOLNJRVUUPPNND-UHFFFAOYSA-N 1 2 263.385 1.918 20 30 CDEDLO C#CC[NH+]1CCN(c2ncnc3cc(F)c(F)cc32)CC1 ZINC000490699493 332106009 /nfs/dbraw/zinc/10/60/09/332106009.db2.gz QLOQVPGAUONIQQ-UHFFFAOYSA-N 1 2 288.301 1.663 20 30 CDEDLO C#CC[N@@H+](CCCC(C)(C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000490853033 332121078 /nfs/dbraw/zinc/12/10/78/332121078.db2.gz PKHOUSAJCNUBCB-ZDUSSCGKSA-N 1 2 282.409 1.439 20 30 CDEDLO C#CC[N@H+](CCCC(C)(C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000490853033 332121079 /nfs/dbraw/zinc/12/10/79/332121079.db2.gz PKHOUSAJCNUBCB-ZDUSSCGKSA-N 1 2 282.409 1.439 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cnn(CC(F)(F)F)c1 ZINC000490925931 332130251 /nfs/dbraw/zinc/13/02/51/332130251.db2.gz YYDCRTZBEUFPTA-UHFFFAOYSA-N 1 2 255.243 1.514 20 30 CDEDLO C#CCN(CC#N)C(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000490962744 332133741 /nfs/dbraw/zinc/13/37/41/332133741.db2.gz PTYDYIRYTSVOEH-UHFFFAOYSA-N 1 2 280.331 1.720 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)Nc1cc(N)ccc1F ZINC000491267025 332177533 /nfs/dbraw/zinc/17/75/33/332177533.db2.gz RNNDYLLWPCTFAN-LBPRGKRZSA-N 1 2 291.326 1.071 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)Nc1cc(N)ccc1F ZINC000491267025 332177535 /nfs/dbraw/zinc/17/75/35/332177535.db2.gz RNNDYLLWPCTFAN-LBPRGKRZSA-N 1 2 291.326 1.071 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000491464204 332216766 /nfs/dbraw/zinc/21/67/66/332216766.db2.gz QLTGZYAIYCFHCF-HIFRSBDPSA-N 1 2 270.332 1.811 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000491464204 332216768 /nfs/dbraw/zinc/21/67/68/332216768.db2.gz QLTGZYAIYCFHCF-HIFRSBDPSA-N 1 2 270.332 1.811 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000491659502 332270031 /nfs/dbraw/zinc/27/00/31/332270031.db2.gz MWZFMFFFBMBOJQ-UHFFFAOYSA-N 1 2 255.321 1.518 20 30 CDEDLO C#CCN(C(=O)NCCc1cn(C)c[nH+]1)C1CCCC1 ZINC000491669130 332276528 /nfs/dbraw/zinc/27/65/28/332276528.db2.gz XANCYLMKTXLXGO-UHFFFAOYSA-N 1 2 274.368 1.550 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)OCc1ccccc1 ZINC000491707802 332300417 /nfs/dbraw/zinc/30/04/17/332300417.db2.gz SYTHKAFAHCKGRK-OAHLLOKOSA-N 1 2 273.332 1.454 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)OCc1ccccc1 ZINC000491707802 332300419 /nfs/dbraw/zinc/30/04/19/332300419.db2.gz SYTHKAFAHCKGRK-OAHLLOKOSA-N 1 2 273.332 1.454 20 30 CDEDLO C#CC(C)(C)[N@H+](C)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000491767715 332335525 /nfs/dbraw/zinc/33/55/25/332335525.db2.gz JJBCPMMRUVWOAK-CQSZACIVSA-N 1 2 295.404 1.467 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000491767715 332335526 /nfs/dbraw/zinc/33/55/26/332335526.db2.gz JJBCPMMRUVWOAK-CQSZACIVSA-N 1 2 295.404 1.467 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000491770168 332337043 /nfs/dbraw/zinc/33/70/43/332337043.db2.gz NNYJAYIATFHSQH-NSHDSACASA-N 1 2 284.319 1.061 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000492133554 332384243 /nfs/dbraw/zinc/38/42/43/332384243.db2.gz NFZMKJPLXIHLBB-QWRGUYRKSA-N 1 2 255.362 1.991 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000492133554 332384244 /nfs/dbraw/zinc/38/42/44/332384244.db2.gz NFZMKJPLXIHLBB-QWRGUYRKSA-N 1 2 255.362 1.991 20 30 CDEDLO CCn1cc[nH+]c1/C=C/C(=O)NC1(C#N)CCSCC1 ZINC000492537528 332402106 /nfs/dbraw/zinc/40/21/06/332402106.db2.gz RCVRSTPMRZOSOP-ONEGZZNKSA-N 1 2 290.392 1.822 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000521266539 333116765 /nfs/dbraw/zinc/11/67/65/333116765.db2.gz DDQSOHOGQHOUBJ-LBPRGKRZSA-N 1 2 288.351 1.865 20 30 CDEDLO C=CCOc1cccnc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548311608 334150542 /nfs/dbraw/zinc/15/05/42/334150542.db2.gz IIBBGXWIOIEZST-LBPRGKRZSA-N 1 2 298.346 1.588 20 30 CDEDLO Cc1ccc(C[NH+]2CC(O)(CC#N)C2)c(-c2ccnn2C)c1 ZINC000549366427 334191266 /nfs/dbraw/zinc/19/12/66/334191266.db2.gz PUWDGEVLQXBLFJ-UHFFFAOYSA-N 1 2 296.374 1.856 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000577134509 335306378 /nfs/dbraw/zinc/30/63/78/335306378.db2.gz VWGGLDKXYWCWEH-ZIAGYGMSSA-N 1 2 282.347 1.825 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@H]1CC[N@H+]1[C@H]1CCCN(C)C1=O ZINC001754490458 1159242103 /nfs/dbraw/zinc/24/21/03/1159242103.db2.gz QBBMUXPTBWILTO-OLZOCXBDSA-N 1 2 293.411 1.010 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCCN(C)C1=O ZINC001754490458 1159242111 /nfs/dbraw/zinc/24/21/11/1159242111.db2.gz QBBMUXPTBWILTO-OLZOCXBDSA-N 1 2 293.411 1.010 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)N1CCC(CC#N)CC1 ZINC000581759081 336142645 /nfs/dbraw/zinc/14/26/45/336142645.db2.gz QUYGHSOXTRUBAN-UHFFFAOYSA-N 1 2 261.329 1.255 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)CSC)CCO2 ZINC001755049507 1159514702 /nfs/dbraw/zinc/51/47/02/1159514702.db2.gz MDIOPKOIDAUZIC-ZDUSSCGKSA-N 1 2 298.452 1.475 20 30 CDEDLO COCC#CC[NH+]1CCN([C@H](C)c2nccs2)CC1 ZINC000680991202 482647438 /nfs/dbraw/zinc/64/74/38/482647438.db2.gz XFISEMRVEQCMRV-CYBMUJFWSA-N 1 2 279.409 1.472 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000673469394 482748208 /nfs/dbraw/zinc/74/82/08/482748208.db2.gz JEPLTJUBJPZZAO-LBPRGKRZSA-N 1 2 278.356 1.364 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000673469394 482748212 /nfs/dbraw/zinc/74/82/12/482748212.db2.gz JEPLTJUBJPZZAO-LBPRGKRZSA-N 1 2 278.356 1.364 20 30 CDEDLO COCC#CCN(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000677818405 482793974 /nfs/dbraw/zinc/79/39/74/482793974.db2.gz MDDOBIIMCXWJPP-UHFFFAOYSA-N 1 2 275.274 1.527 20 30 CDEDLO C=C[C@@](C)(O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000667001757 483042839 /nfs/dbraw/zinc/04/28/39/483042839.db2.gz SPBDOGJWUDEOTJ-CQSZACIVSA-N 1 2 259.309 1.196 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000682361051 483200506 /nfs/dbraw/zinc/20/05/06/483200506.db2.gz HFMSATFNPCSRAJ-ZFWWWQNUSA-N 1 2 266.385 1.522 20 30 CDEDLO CC#CCCCC(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000184196583 519332254 /nfs/dbraw/zinc/33/22/54/519332254.db2.gz DSPNNOXJFCQRAG-ZDUSSCGKSA-N 1 2 293.436 1.816 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ncccc1OC ZINC001409659161 1160869439 /nfs/dbraw/zinc/86/94/39/1160869439.db2.gz QYFRSFYTKTXRAJ-LLVKDONJSA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ncccc1OC ZINC001409659161 1160869443 /nfs/dbraw/zinc/86/94/43/1160869443.db2.gz QYFRSFYTKTXRAJ-LLVKDONJSA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(C)CCC(=O)NCC[N@@H+](C)CC(=O)N1CCCC1 ZINC001753050897 1185020970 /nfs/dbraw/zinc/02/09/70/1185020970.db2.gz UWVWBQJNQISTGB-UHFFFAOYSA-N 1 2 281.400 1.013 20 30 CDEDLO C=C(C)CCC(=O)NCC[N@H+](C)CC(=O)N1CCCC1 ZINC001753050897 1185020978 /nfs/dbraw/zinc/02/09/78/1185020978.db2.gz UWVWBQJNQISTGB-UHFFFAOYSA-N 1 2 281.400 1.013 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](COC)c1ccco1 ZINC000184597833 518591124 /nfs/dbraw/zinc/59/11/24/518591124.db2.gz STMGTYABNDWLGL-ZDUSSCGKSA-N 1 2 280.368 1.981 20 30 CDEDLO C=CCNC(=O)CNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000347891850 526565178 /nfs/dbraw/zinc/56/51/78/526565178.db2.gz LZDOSCJVXGERAG-UHFFFAOYSA-N 1 2 298.346 1.213 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000347351765 528624701 /nfs/dbraw/zinc/62/47/01/528624701.db2.gz NHFQJCJEDKIOPE-WCQYABFASA-N 1 2 255.337 1.428 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000347351765 528624708 /nfs/dbraw/zinc/62/47/08/528624708.db2.gz NHFQJCJEDKIOPE-WCQYABFASA-N 1 2 255.337 1.428 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@@H+](CC(N)=O)C1CCCC1 ZINC000728569859 574637601 /nfs/dbraw/zinc/63/76/01/574637601.db2.gz QBAGIEVLMMCNPW-UHFFFAOYSA-N 1 2 275.327 1.927 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@H+](CC(N)=O)C1CCCC1 ZINC000728569859 574637603 /nfs/dbraw/zinc/63/76/03/574637603.db2.gz QBAGIEVLMMCNPW-UHFFFAOYSA-N 1 2 275.327 1.927 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000728866010 574666889 /nfs/dbraw/zinc/66/68/89/574666889.db2.gz VNWFSEGLGGIQRQ-CYBMUJFWSA-N 1 2 280.331 1.806 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C\C2CCCCC2)CC1 ZINC000735472482 575471504 /nfs/dbraw/zinc/47/15/04/575471504.db2.gz QTXNYXSBQBXTPJ-HJWRWDBZSA-N 1 2 260.381 1.900 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+](C)CC(=O)NCC ZINC000730379472 574933254 /nfs/dbraw/zinc/93/32/54/574933254.db2.gz QFWWCBJQSMRODA-UHFFFAOYSA-N 1 2 260.337 1.267 20 30 CDEDLO C#CCOc1ccccc1C[N@H+](C)CC(=O)NCC ZINC000730379472 574933255 /nfs/dbraw/zinc/93/32/55/574933255.db2.gz QFWWCBJQSMRODA-UHFFFAOYSA-N 1 2 260.337 1.267 20 30 CDEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NCCC#N ZINC000731846839 575065438 /nfs/dbraw/zinc/06/54/38/575065438.db2.gz BJNVAEJXKFCDFE-UHFFFAOYSA-N 1 2 250.346 1.278 20 30 CDEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NCCC#N ZINC000731846839 575065440 /nfs/dbraw/zinc/06/54/40/575065440.db2.gz BJNVAEJXKFCDFE-UHFFFAOYSA-N 1 2 250.346 1.278 20 30 CDEDLO C#C[C@@H](CC)NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000767874575 576234775 /nfs/dbraw/zinc/23/47/75/576234775.db2.gz ODPCZTHMLUVUQL-STQMWFEESA-N 1 2 274.368 1.721 20 30 CDEDLO CN(C)c1ncc(C=[NH+]OC2CCOCC2)s1 ZINC000774450616 575205734 /nfs/dbraw/zinc/20/57/34/575205734.db2.gz JAXKQPYWVDIOQZ-UHFFFAOYSA-N 1 2 255.343 1.739 20 30 CDEDLO N#CCCN1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC000760944980 576527715 /nfs/dbraw/zinc/52/77/15/576527715.db2.gz UTGGYHDDVQQEDV-OAHLLOKOSA-N 1 2 277.343 1.390 20 30 CDEDLO C[C@H]1OCCC1N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761844486 576597238 /nfs/dbraw/zinc/59/72/38/576597238.db2.gz AIUMDAKCOMVEEQ-SECBINFHSA-N 1 2 258.285 1.239 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCCSCC(F)(F)F ZINC000770229600 575433678 /nfs/dbraw/zinc/43/36/78/575433678.db2.gz YUJFWWKYRBZZSM-JTQLQIEISA-N 1 2 294.342 1.496 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCSCC(F)(F)F ZINC000770229600 575433679 /nfs/dbraw/zinc/43/36/79/575433679.db2.gz YUJFWWKYRBZZSM-JTQLQIEISA-N 1 2 294.342 1.496 20 30 CDEDLO C=CCNC(=O)Cc1noc(-c2[nH+]c(C)n3ccccc23)n1 ZINC000770990834 575525689 /nfs/dbraw/zinc/52/56/89/575525689.db2.gz IFHXGERUVGLTSV-UHFFFAOYSA-N 1 2 297.318 1.537 20 30 CDEDLO C=CC[N@H+](CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C1CC1 ZINC000771641300 575599956 /nfs/dbraw/zinc/59/99/56/575599956.db2.gz LRVFJNPTJGPRHW-BETUJISGSA-N 1 2 260.337 1.546 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C1CC1 ZINC000771641300 575599961 /nfs/dbraw/zinc/59/99/61/575599961.db2.gz LRVFJNPTJGPRHW-BETUJISGSA-N 1 2 260.337 1.546 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)/C=C/c1ccccc1C#N ZINC000773851513 575841327 /nfs/dbraw/zinc/84/13/27/575841327.db2.gz GKHFOKWAAHBKDT-VOTSOKGWSA-N 1 2 280.331 1.664 20 30 CDEDLO C=CCn1nnn(C[N@H+](CC)C[C@@H]2CCOC2)c1=S ZINC000738082269 576037260 /nfs/dbraw/zinc/03/72/60/576037260.db2.gz PWXCAQNCXAPRMP-NSHDSACASA-N 1 2 283.401 1.311 20 30 CDEDLO C=CCn1nnn(C[N@@H+](CC)C[C@@H]2CCOC2)c1=S ZINC000738082269 576037265 /nfs/dbraw/zinc/03/72/65/576037265.db2.gz PWXCAQNCXAPRMP-NSHDSACASA-N 1 2 283.401 1.311 20 30 CDEDLO C[S@@](=O)CC[NH+]1CCN(Cc2cc(C#N)cs2)CC1 ZINC000769480823 576357402 /nfs/dbraw/zinc/35/74/02/576357402.db2.gz QAMLPIZHHHJPIC-LJQANCHMSA-N 1 2 297.449 1.116 20 30 CDEDLO C#CCC[N@@H+](CC(=O)OC)Cc1cc(OC)cc(OC)c1 ZINC000760821019 576513054 /nfs/dbraw/zinc/51/30/54/576513054.db2.gz SRQLGGOCGKGHFY-UHFFFAOYSA-N 1 2 291.347 1.702 20 30 CDEDLO C#CCC[N@H+](CC(=O)OC)Cc1cc(OC)cc(OC)c1 ZINC000760821019 576513055 /nfs/dbraw/zinc/51/30/55/576513055.db2.gz SRQLGGOCGKGHFY-UHFFFAOYSA-N 1 2 291.347 1.702 20 30 CDEDLO Cn1cc(N[NH+]=Cc2ccc(N3CCOCC3)s2)cn1 ZINC000761868693 576600701 /nfs/dbraw/zinc/60/07/01/576600701.db2.gz ITSQOFFQIXOLFL-UHFFFAOYSA-N 1 2 291.380 1.764 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(C)=O)cc1 ZINC000743296459 576631681 /nfs/dbraw/zinc/63/16/81/576631681.db2.gz CWTOSAVGOGWFFF-HNNXBMFYSA-N 1 2 270.332 1.925 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(C)=O)cc1 ZINC000743296459 576631684 /nfs/dbraw/zinc/63/16/84/576631684.db2.gz CWTOSAVGOGWFFF-HNNXBMFYSA-N 1 2 270.332 1.925 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)N(C)CCO2 ZINC000746649067 576787584 /nfs/dbraw/zinc/78/75/84/576787584.db2.gz UNCQBOXYPZSSHS-AWEZNQCLSA-N 1 2 299.374 1.551 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)N(C)CCO2 ZINC000746649067 576787585 /nfs/dbraw/zinc/78/75/85/576787585.db2.gz UNCQBOXYPZSSHS-AWEZNQCLSA-N 1 2 299.374 1.551 20 30 CDEDLO C#CC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000753944293 576868212 /nfs/dbraw/zinc/86/82/12/576868212.db2.gz VUHHJQHGGHTRPB-UHFFFAOYSA-N 1 2 257.337 1.711 20 30 CDEDLO C[N@H+](CC(F)F)C1CCN(c2nccnc2C#N)CC1 ZINC000749287899 576942252 /nfs/dbraw/zinc/94/22/52/576942252.db2.gz REXOQCWOUJEVLG-UHFFFAOYSA-N 1 2 281.310 1.514 20 30 CDEDLO C[N@@H+](CC(F)F)C1CCN(c2nccnc2C#N)CC1 ZINC000749287899 576942254 /nfs/dbraw/zinc/94/22/54/576942254.db2.gz REXOQCWOUJEVLG-UHFFFAOYSA-N 1 2 281.310 1.514 20 30 CDEDLO CC(C)C1N=NC(=S)N1N=Cc1c[nH+]cn1C ZINC000755536420 576949181 /nfs/dbraw/zinc/94/91/81/576949181.db2.gz PAIKJCBRXZHWDF-UHFFFAOYSA-N 1 2 250.331 1.306 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1=S ZINC000749796091 576962744 /nfs/dbraw/zinc/96/27/44/576962744.db2.gz GWQAWSJZELDGTO-NEPJUHHUSA-N 1 2 295.412 1.311 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1=S ZINC000749796091 576962745 /nfs/dbraw/zinc/96/27/45/576962745.db2.gz GWQAWSJZELDGTO-NEPJUHHUSA-N 1 2 295.412 1.311 20 30 CDEDLO CCOC(=O)CC[N@H+](Cn1cccc(C#N)c1=O)C1CC1 ZINC000758197984 577080689 /nfs/dbraw/zinc/08/06/89/577080689.db2.gz PCAPOGZHELFXPS-UHFFFAOYSA-N 1 2 289.335 1.095 20 30 CDEDLO CCOC(=O)CC[N@@H+](Cn1cccc(C#N)c1=O)C1CC1 ZINC000758197984 577080692 /nfs/dbraw/zinc/08/06/92/577080692.db2.gz PCAPOGZHELFXPS-UHFFFAOYSA-N 1 2 289.335 1.095 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCCS1 ZINC000758611680 577121906 /nfs/dbraw/zinc/12/19/06/577121906.db2.gz UZARZTFSUAQSGB-GXTWGEPZSA-N 1 2 266.410 1.486 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCCS1 ZINC000758611680 577121909 /nfs/dbraw/zinc/12/19/09/577121909.db2.gz UZARZTFSUAQSGB-GXTWGEPZSA-N 1 2 266.410 1.486 20 30 CDEDLO C#CCCCC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 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C#Cc1ccc(C(=O)N[C@H]2C[N@H+](CCF)CC[C@@H]2C)nc1 ZINC000968548225 613191859 /nfs/dbraw/zinc/19/18/59/613191859.db2.gz FCFGVOHNIRLOLA-WFASDCNBSA-N 1 2 289.354 1.473 20 30 CDEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC000948951208 613279946 /nfs/dbraw/zinc/27/99/46/613279946.db2.gz UBSOHEHUPIQXMQ-XYPHTWIQSA-N 1 2 282.387 1.991 20 30 CDEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC000948951208 613279947 /nfs/dbraw/zinc/27/99/47/613279947.db2.gz UBSOHEHUPIQXMQ-XYPHTWIQSA-N 1 2 282.387 1.991 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cccc(=O)[nH]2)C1 ZINC000949843266 613296830 /nfs/dbraw/zinc/29/68/30/613296830.db2.gz YLHHIYRCEFMHQJ-UHFFFAOYSA-N 1 2 275.352 1.510 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2coc(C(N)=O)c2)C1 ZINC000950975854 613297275 /nfs/dbraw/zinc/29/72/75/613297275.db2.gz RUHGZRUCFRQZQL-UHFFFAOYSA-N 1 2 291.351 1.101 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2n[nH]c(CC)c2Cl)CC1 ZINC000948812464 613321903 /nfs/dbraw/zinc/32/19/03/613321903.db2.gz KXNIVBQIMXVSFQ-UHFFFAOYSA-N 1 2 296.802 1.959 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ncccc2OCC)CC1 ZINC000957956804 613322374 /nfs/dbraw/zinc/32/23/74/613322374.db2.gz CWOCXNJLHJRFQR-UHFFFAOYSA-N 1 2 289.379 1.814 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000981773440 613373932 /nfs/dbraw/zinc/37/39/32/613373932.db2.gz GXSAEPLOLYNCCL-ITGUQSILSA-N 1 2 284.787 1.166 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000981773440 613373933 /nfs/dbraw/zinc/37/39/33/613373933.db2.gz GXSAEPLOLYNCCL-ITGUQSILSA-N 1 2 284.787 1.166 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2[nH]cnc2C)C1 ZINC000968705812 613375533 /nfs/dbraw/zinc/37/55/33/613375533.db2.gz GDUPBWCLPXIKQH-SKDRFNHKSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2[nH]cnc2C)C1 ZINC000968705812 613375534 /nfs/dbraw/zinc/37/55/34/613375534.db2.gz GDUPBWCLPXIKQH-SKDRFNHKSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccnnc2)C1 ZINC000968357697 613375771 /nfs/dbraw/zinc/37/57/71/613375771.db2.gz RIBPKGQOPCYUJR-ZWNOBZJWSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccnnc2)C1 ZINC000968357697 613375772 /nfs/dbraw/zinc/37/57/72/613375772.db2.gz RIBPKGQOPCYUJR-ZWNOBZJWSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C2=CCOCC2)C1 ZINC000965936488 613377887 /nfs/dbraw/zinc/37/78/87/613377887.db2.gz QTEGKZLILCLRJW-SMDDNHRTSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2=CCOCC2)C1 ZINC000965936488 613377888 /nfs/dbraw/zinc/37/78/88/613377888.db2.gz QTEGKZLILCLRJW-SMDDNHRTSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC000950051791 613502418 /nfs/dbraw/zinc/50/24/18/613502418.db2.gz VEJUVXNJYSWISJ-MRXNPFEDSA-N 1 2 290.411 1.630 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC000949737748 613563245 /nfs/dbraw/zinc/56/32/45/613563245.db2.gz LAZBYHLQSJEDSB-CABCVRRESA-N 1 2 262.397 1.980 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2CC[C@H](C)C2)CC1 ZINC000949737897 613563373 /nfs/dbraw/zinc/56/33/73/613563373.db2.gz LAZBYHLQSJEDSB-LSDHHAIUSA-N 1 2 262.397 1.980 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CCCC3)C2)C1 ZINC000972213375 613571150 /nfs/dbraw/zinc/57/11/50/613571150.db2.gz CFVVJIJJNRTMAU-QGZVFWFLSA-N 1 2 290.407 1.503 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CCCC3)C2)C1 ZINC000972213375 613571152 /nfs/dbraw/zinc/57/11/52/613571152.db2.gz CFVVJIJJNRTMAU-QGZVFWFLSA-N 1 2 290.407 1.503 20 30 CDEDLO O=C(NCC#C[C@H]1CCCCO1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000891116046 617365787 /nfs/dbraw/zinc/36/57/87/617365787.db2.gz KBFQWAPGLSNJRR-ZIAGYGMSSA-N 1 2 287.363 1.134 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCO[C@@H]2C)C1 ZINC000957043453 613654301 /nfs/dbraw/zinc/65/43/01/613654301.db2.gz AHTMUTXULPIKJY-DGCLKSJQSA-N 1 2 252.358 1.130 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@]23CCO[C@H]2CCCC3)CC1 ZINC000949241327 613713952 /nfs/dbraw/zinc/71/39/52/613713952.db2.gz REEZLDAIVOETHO-HOCLYGCPSA-N 1 2 278.396 1.666 20 30 CDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+](CC=C(C)C)C1 ZINC000949854708 614707703 /nfs/dbraw/zinc/70/77/03/614707703.db2.gz UKDWRDWVIPTPDU-UHFFFAOYSA-N 1 2 286.379 1.999 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3cc(C)cc(C#N)n3)CC2)on1 ZINC000891618654 617507656 /nfs/dbraw/zinc/50/76/56/617507656.db2.gz SMUUPZRJQOSWTN-UHFFFAOYSA-N 1 2 297.362 1.880 20 30 CDEDLO C#C[C@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000775383806 617523405 /nfs/dbraw/zinc/52/34/05/617523405.db2.gz KFGJYHGSYKDNFQ-LBPRGKRZSA-N 1 2 253.305 1.683 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)cs1 ZINC000891662375 617528088 /nfs/dbraw/zinc/52/80/88/617528088.db2.gz NACJMJMCLOZLNY-ZDUSSCGKSA-N 1 2 275.377 1.863 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)cs1 ZINC000891662375 617528090 /nfs/dbraw/zinc/52/80/90/617528090.db2.gz NACJMJMCLOZLNY-ZDUSSCGKSA-N 1 2 275.377 1.863 20 30 CDEDLO C=CCCCN(CC)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000892600712 617528480 /nfs/dbraw/zinc/52/84/80/617528480.db2.gz VGSUJUDNJOCUOQ-AWEZNQCLSA-N 1 2 283.416 1.705 20 30 CDEDLO C=CCCCN(CC)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000892600712 617528483 /nfs/dbraw/zinc/52/84/83/617528483.db2.gz VGSUJUDNJOCUOQ-AWEZNQCLSA-N 1 2 283.416 1.705 20 30 CDEDLO C=C(C)CN(C)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925592537 617538896 /nfs/dbraw/zinc/53/88/96/617538896.db2.gz IOJYRSMBOLWKIM-CYBMUJFWSA-N 1 2 269.389 1.315 20 30 CDEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@H]3CO)o2)c1 ZINC000934025075 617846850 /nfs/dbraw/zinc/84/68/50/617846850.db2.gz YPRWJYXRDOIGFM-LBPRGKRZSA-N 1 2 270.292 1.175 20 30 CDEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@H]3CO)o2)c1 ZINC000934025075 617846856 /nfs/dbraw/zinc/84/68/56/617846856.db2.gz YPRWJYXRDOIGFM-LBPRGKRZSA-N 1 2 270.292 1.175 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893991858 618234446 /nfs/dbraw/zinc/23/44/46/618234446.db2.gz HGHXUXRXQUXEFJ-UHFFFAOYSA-N 1 2 296.323 1.943 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893991858 618234448 /nfs/dbraw/zinc/23/44/48/618234448.db2.gz HGHXUXRXQUXEFJ-UHFFFAOYSA-N 1 2 296.323 1.943 20 30 CDEDLO C=CCC[C@@H]1NC(=O)N([C@@H]2CCn3cc[nH+]c3C2)C1=O ZINC000927653677 618430191 /nfs/dbraw/zinc/43/01/91/618430191.db2.gz JQGRACQYJKKENE-MNOVXSKESA-N 1 2 274.324 1.085 20 30 CDEDLO CNc1cc(N(C)C[C@H](O)c2cccc(C#N)c2)nc[nH+]1 ZINC000894380702 618836699 /nfs/dbraw/zinc/83/66/99/618836699.db2.gz KTMJGJMFDFOZIL-ZDUSSCGKSA-N 1 2 283.335 1.560 20 30 CDEDLO CNc1cc(N(C)C[C@H](O)c2cccc(C#N)c2)[nH+]cn1 ZINC000894380702 618836703 /nfs/dbraw/zinc/83/67/03/618836703.db2.gz KTMJGJMFDFOZIL-ZDUSSCGKSA-N 1 2 283.335 1.560 20 30 CDEDLO C#CC[C@H](CCOC)Nc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000894830669 619082816 /nfs/dbraw/zinc/08/28/16/619082816.db2.gz QRNFGVSSHLBBPF-QWHCGFSZSA-N 1 2 292.383 1.500 20 30 CDEDLO C#CC[C@H](CCOC)Nc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000894830669 619082817 /nfs/dbraw/zinc/08/28/17/619082817.db2.gz QRNFGVSSHLBBPF-QWHCGFSZSA-N 1 2 292.383 1.500 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)Nc1nc(C)cc(C#N)n1 ZINC000895800745 619850940 /nfs/dbraw/zinc/85/09/40/619850940.db2.gz BLMAMUJUZNLBDT-LBPRGKRZSA-N 1 2 275.356 1.179 20 30 CDEDLO C=CCC1(O)CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000899589132 622317895 /nfs/dbraw/zinc/31/78/95/622317895.db2.gz LBUJDEOCDKBICA-UHFFFAOYSA-N 1 2 277.368 1.593 20 30 CDEDLO Cn1nc(C2CC2)cc1C[NH2+]C[C@H](C#N)CCC#N ZINC000901625495 624378864 /nfs/dbraw/zinc/37/88/64/624378864.db2.gz YFPGQMJLKBDOAD-NSHDSACASA-N 1 2 257.341 1.831 20 30 CDEDLO C[C@H](C#N)OCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000801915790 624876381 /nfs/dbraw/zinc/87/63/81/624876381.db2.gz UULCOLUNCCAMMB-UKRRQHHQSA-N 1 2 260.337 1.989 20 30 CDEDLO C[C@H](C#N)OCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000801915790 624876384 /nfs/dbraw/zinc/87/63/84/624876384.db2.gz UULCOLUNCCAMMB-UKRRQHHQSA-N 1 2 260.337 1.989 20 30 CDEDLO C=C[C@H](O)C(=O)N1CC[NH+](Cc2ccc(CC)cc2)CC1 ZINC000915046845 631634836 /nfs/dbraw/zinc/63/48/36/631634836.db2.gz TVQYWUBRYNGFAJ-INIZCTEOSA-N 1 2 288.391 1.440 20 30 CDEDLO CN(C)c1ccc(C=NN2CC[NH+](C)CC2)s1 ZINC000916248274 631949697 /nfs/dbraw/zinc/94/96/97/631949697.db2.gz XCCPTAXEZFNMGW-UHFFFAOYSA-N 1 2 252.387 1.395 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CNC(C)=O)cc1 ZINC000733177861 632813792 /nfs/dbraw/zinc/81/37/92/632813792.db2.gz XWHZQUPQGKMRGP-INIZCTEOSA-N 1 2 299.374 1.359 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CNC(C)=O)cc1 ZINC000733177861 632813802 /nfs/dbraw/zinc/81/38/02/632813802.db2.gz XWHZQUPQGKMRGP-INIZCTEOSA-N 1 2 299.374 1.359 20 30 CDEDLO C=CC[NH+]1CCN([C@@H]2CC[C@@H](C(=O)OC)C2)CC1 ZINC001170548865 1162839555 /nfs/dbraw/zinc/83/95/55/1162839555.db2.gz GYZRSLXVRWQMQQ-CHWSQXEVSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@H](C)CC)CC1 ZINC001131351192 1162875016 /nfs/dbraw/zinc/87/50/16/1162875016.db2.gz CEPQMYCOGOZVQP-CQSZACIVSA-N 1 2 295.427 1.259 20 30 CDEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C[C@H](C)CC)CC1 ZINC001131351192 1162875019 /nfs/dbraw/zinc/87/50/19/1162875019.db2.gz CEPQMYCOGOZVQP-CQSZACIVSA-N 1 2 295.427 1.259 20 30 CDEDLO C#Cc1cc(Nc2cnc(N3CCCC3)nc2)cc[nH+]1 ZINC001211921488 1160564333 /nfs/dbraw/zinc/56/43/33/1160564333.db2.gz OBERIZUDVDHRBY-UHFFFAOYSA-N 1 2 265.320 1.619 20 30 CDEDLO N=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1nccs1 ZINC001168277632 1160672091 /nfs/dbraw/zinc/67/20/91/1160672091.db2.gz NZDOZDOSBMPHMK-UHFFFAOYSA-N 1 2 284.348 1.820 20 30 CDEDLO Cc1nc(NC[C@@H](C)NC(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001107676420 1161321812 /nfs/dbraw/zinc/32/18/12/1161321812.db2.gz DKSUUNNOSPBAHA-SECBINFHSA-N 1 2 284.323 1.215 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](C)OCC(C)C)CC1 ZINC001112658518 1162048251 /nfs/dbraw/zinc/04/82/51/1162048251.db2.gz IPLHCEUNAKNHQX-AWEZNQCLSA-N 1 2 268.401 1.768 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001132401695 1163269127 /nfs/dbraw/zinc/26/91/27/1163269127.db2.gz CRCPAJAWTFNABR-UHFFFAOYSA-N 1 2 262.357 1.203 20 30 CDEDLO C#C[C@](C)(CC)Nc1cc(-n2cncn2)nc(C)[nH+]1 ZINC001158742487 1163508453 /nfs/dbraw/zinc/50/84/53/1163508453.db2.gz HJSCDRPFCWHZKP-CYBMUJFWSA-N 1 2 256.313 1.580 20 30 CDEDLO N#Cc1cccc(NC(=O)N2CCn3c[nH+]cc3C2)n1 ZINC001671228199 1168037496 /nfs/dbraw/zinc/03/74/96/1168037496.db2.gz GXVNBQTXASXBGT-UHFFFAOYSA-N 1 2 268.280 1.197 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1csc(C#N)c1 ZINC001647434986 1168685506 /nfs/dbraw/zinc/68/55/06/1168685506.db2.gz APYRNKZZBNZPLC-LBPRGKRZSA-N 1 2 293.392 1.460 20 30 CDEDLO C=C1CCC(C(=O)NCC=CC[NH2+]Cc2cnn[nH]2)CC1 ZINC001575062510 1171100071 /nfs/dbraw/zinc/10/00/71/1171100071.db2.gz SVEFTHHBPVFJLW-NSCUHMNNSA-N 1 2 289.383 1.313 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1OC ZINC001590420276 1173401873 /nfs/dbraw/zinc/40/18/73/1173401873.db2.gz VMWZYMQFFGNEKF-LBPRGKRZSA-N 1 2 286.339 1.657 20 30 CDEDLO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](C)CC#N ZINC001591558815 1173669828 /nfs/dbraw/zinc/66/98/28/1173669828.db2.gz VSGOGQCJDZOACA-SECBINFHSA-N 1 2 272.312 1.267 20 30 CDEDLO Cc1noc([C@@H](C)[NH2+][C@H](C)CNC(=O)C#CC(C)C)n1 ZINC001752870453 1184944787 /nfs/dbraw/zinc/94/47/87/1184944787.db2.gz WLCGHUOWDRRCOQ-GHMZBOCLSA-N 1 2 278.356 1.193 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccncn1 ZINC001753865497 1185371836 /nfs/dbraw/zinc/37/18/36/1185371836.db2.gz DMFHZNMZJFAOOX-UHFFFAOYSA-N 1 2 268.748 1.233 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccncn1 ZINC001753865497 1185371844 /nfs/dbraw/zinc/37/18/44/1185371844.db2.gz DMFHZNMZJFAOOX-UHFFFAOYSA-N 1 2 268.748 1.233 20 30 CDEDLO Cc1ncsc1C[N@@H+]1CC[C@@H]1CNC(=O)C#CC1CC1 ZINC001754483663 1185637572 /nfs/dbraw/zinc/63/75/72/1185637572.db2.gz MDQFTNBREJSWFC-CYBMUJFWSA-N 1 2 289.404 1.555 20 30 CDEDLO Cc1ncsc1C[N@H+]1CC[C@@H]1CNC(=O)C#CC1CC1 ZINC001754483663 1185637574 /nfs/dbraw/zinc/63/75/74/1185637574.db2.gz MDQFTNBREJSWFC-CYBMUJFWSA-N 1 2 289.404 1.555 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)C1CCCC1 ZINC001754499104 1185644088 /nfs/dbraw/zinc/64/40/88/1185644088.db2.gz BKGPTXWUQPCUJZ-GOEBONIOSA-N 1 2 292.423 1.653 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)C1CCCC1 ZINC001754499104 1185644090 /nfs/dbraw/zinc/64/40/90/1185644090.db2.gz BKGPTXWUQPCUJZ-GOEBONIOSA-N 1 2 292.423 1.653 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC001754505706 1185648130 /nfs/dbraw/zinc/64/81/30/1185648130.db2.gz RRQBZHGTRPNIOT-DOTOQJQBSA-N 1 2 284.403 1.997 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC001754505706 1185648134 /nfs/dbraw/zinc/64/81/34/1185648134.db2.gz RRQBZHGTRPNIOT-DOTOQJQBSA-N 1 2 284.403 1.997 20 30 CDEDLO C=CCCC(=O)NCC1([NH2+]Cc2cnon2)CCC1 ZINC001754978494 1185776555 /nfs/dbraw/zinc/77/65/55/1185776555.db2.gz HSVZUMNSGHJGKW-UHFFFAOYSA-N 1 2 264.329 1.164 20 30 CDEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)CCCC(C)C)C1 ZINC001755336748 1185922588 /nfs/dbraw/zinc/92/25/88/1185922588.db2.gz GLRLHWAYAJRHOR-UHFFFAOYSA-N 1 2 282.428 1.942 20 30 CDEDLO N#CCCN1CCN(c2ccc3c([nH+]2)CCC3)CC1 ZINC001165055733 722023255 /nfs/dbraw/zinc/02/32/55/722023255.db2.gz SXESTYOUIFEORX-UHFFFAOYSA-N 1 2 256.353 1.606 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CC[C@@H](C)[C@H](C)C2)c1=S ZINC000245785900 782257295 /nfs/dbraw/zinc/25/72/95/782257295.db2.gz VXZGPLBCVLDFKO-GHMZBOCLSA-N 1 2 267.402 1.930 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)c1=S ZINC000245785900 782257313 /nfs/dbraw/zinc/25/73/13/782257313.db2.gz VXZGPLBCVLDFKO-GHMZBOCLSA-N 1 2 267.402 1.930 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccon1 ZINC001045733508 782308125 /nfs/dbraw/zinc/30/81/25/782308125.db2.gz JSOCHNWUDXIGCP-YUTCNCBUSA-N 1 2 288.351 1.400 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccon1 ZINC001045733508 782308139 /nfs/dbraw/zinc/30/81/39/782308139.db2.gz JSOCHNWUDXIGCP-YUTCNCBUSA-N 1 2 288.351 1.400 20 30 CDEDLO C#C[C@@H](C)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883771009 782373931 /nfs/dbraw/zinc/37/39/31/782373931.db2.gz ISCKQNBOPLDCGH-HIFRSBDPSA-N 1 2 282.347 1.945 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](Nc2nc(OC)ncc2Cl)C1 ZINC000884612227 782380319 /nfs/dbraw/zinc/38/03/19/782380319.db2.gz HMIFQYWOQHDCJT-SNVBAGLBSA-N 1 2 280.759 1.648 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](Nc2nc(OC)ncc2Cl)C1 ZINC000884612227 782380332 /nfs/dbraw/zinc/38/03/32/782380332.db2.gz HMIFQYWOQHDCJT-SNVBAGLBSA-N 1 2 280.759 1.648 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)c2c(C)nn(C)c2C)C1 ZINC001031485056 782449714 /nfs/dbraw/zinc/44/97/14/782449714.db2.gz ZXIZAEWSNGUZQM-NSHDSACASA-N 1 2 290.411 1.517 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1scnc1COC ZINC001038779942 782534842 /nfs/dbraw/zinc/53/48/42/782534842.db2.gz ATDKGXFSXDDTRZ-NSHDSACASA-N 1 2 295.408 1.670 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1scnc1COC ZINC001038779942 782534845 /nfs/dbraw/zinc/53/48/45/782534845.db2.gz ATDKGXFSXDDTRZ-NSHDSACASA-N 1 2 295.408 1.670 20 30 CDEDLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@H+]1CCOc1cccc(C#N)c1 ZINC000930834471 782577382 /nfs/dbraw/zinc/57/73/82/782577382.db2.gz VYATYPKYOABZIW-RWMBFGLXSA-N 1 2 287.363 1.534 20 30 CDEDLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@@H+]1CCOc1cccc(C#N)c1 ZINC000930834471 782577395 /nfs/dbraw/zinc/57/73/95/782577395.db2.gz VYATYPKYOABZIW-RWMBFGLXSA-N 1 2 287.363 1.534 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ncccc2OC)C1 ZINC001044226495 782585448 /nfs/dbraw/zinc/58/54/48/782585448.db2.gz YBJZLCYZCUQZPV-UHFFFAOYSA-N 1 2 275.352 1.423 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1C=CCC1)CO2 ZINC001053734035 782644821 /nfs/dbraw/zinc/64/48/21/782644821.db2.gz ILKJZZVAYCYMJA-CABCVRRESA-N 1 2 288.391 1.326 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCC(C)(C)C[C@@H]1C ZINC000884169635 782683297 /nfs/dbraw/zinc/68/32/97/782683297.db2.gz HEWYQTOIMUBROI-AVGNSLFASA-N 1 2 296.411 1.764 20 30 CDEDLO C[C@H]1C[N@H+](CCOC(=O)Cc2ccc(C#N)cc2)CCO1 ZINC000800158050 782693455 /nfs/dbraw/zinc/69/34/55/782693455.db2.gz MLQITXCERCNQPW-ZDUSSCGKSA-N 1 2 288.347 1.365 20 30 CDEDLO C[C@H]1C[N@@H+](CCOC(=O)Cc2ccc(C#N)cc2)CCO1 ZINC000800158050 782693476 /nfs/dbraw/zinc/69/34/76/782693476.db2.gz MLQITXCERCNQPW-ZDUSSCGKSA-N 1 2 288.347 1.365 20 30 CDEDLO C[C@@H]1C[C@@H]([NH2+]Cc2csnn2)CN1C(=O)C#CC1CC1 ZINC000988826995 782732101 /nfs/dbraw/zinc/73/21/01/782732101.db2.gz QLILLUVCXOJNTB-ZYHUDNBSSA-N 1 2 290.392 1.031 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C(F)(F)F ZINC001032568256 782770580 /nfs/dbraw/zinc/77/05/80/782770580.db2.gz VXCUJEOYQFSRCG-GUBZILKMSA-N 1 2 260.259 1.103 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C(F)(F)F ZINC001032568256 782770611 /nfs/dbraw/zinc/77/06/11/782770611.db2.gz VXCUJEOYQFSRCG-GUBZILKMSA-N 1 2 260.259 1.103 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ncccc2F)C1 ZINC001044087924 782789790 /nfs/dbraw/zinc/78/97/90/782789790.db2.gz LTTVLSAZQSYZBN-UHFFFAOYSA-N 1 2 261.300 1.000 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2ccccc2n1 ZINC001038351927 782835421 /nfs/dbraw/zinc/83/54/21/782835421.db2.gz XYKRVPCYKOXIQR-CYBMUJFWSA-N 1 2 294.358 1.457 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2ccccc2n1 ZINC001038351927 782835425 /nfs/dbraw/zinc/83/54/25/782835425.db2.gz XYKRVPCYKOXIQR-CYBMUJFWSA-N 1 2 294.358 1.457 20 30 CDEDLO NC(=[NH+]OCc1nnc2n1CCCC2)c1ccc(F)cc1 ZINC000783008824 782855225 /nfs/dbraw/zinc/85/52/25/782855225.db2.gz GYNSHQSKEVGKAY-UHFFFAOYSA-N 1 2 289.314 1.591 20 30 CDEDLO O=C(C#CC1CC1)N1CC[C@H]2OCC[N@@H+](CCCF)[C@@H]2C1 ZINC001074235225 782856631 /nfs/dbraw/zinc/85/66/31/782856631.db2.gz DSOSLNBIXATBSL-HUUCEWRRSA-N 1 2 294.370 1.061 20 30 CDEDLO O=C(C#CC1CC1)N1CC[C@H]2OCC[N@H+](CCCF)[C@@H]2C1 ZINC001074235225 782856635 /nfs/dbraw/zinc/85/66/35/782856635.db2.gz DSOSLNBIXATBSL-HUUCEWRRSA-N 1 2 294.370 1.061 20 30 CDEDLO Cc1nc(N[C@H]2CCN(C(=O)[C@H](C)C#N)[C@H]2C)cc[nH+]1 ZINC001040075189 782857289 /nfs/dbraw/zinc/85/72/89/782857289.db2.gz ZLRGWBMCRNLAEP-SCVCMEIPSA-N 1 2 273.340 1.346 20 30 CDEDLO C#CCCCCCC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000780476774 782921292 /nfs/dbraw/zinc/92/12/92/782921292.db2.gz NRCMDJSZRBUMQK-CQSZACIVSA-N 1 2 266.385 1.407 20 30 CDEDLO C#CCCCCCC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000780476774 782921296 /nfs/dbraw/zinc/92/12/96/782921296.db2.gz NRCMDJSZRBUMQK-CQSZACIVSA-N 1 2 266.385 1.407 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(OC)cs2)C1 ZINC001015500612 782953374 /nfs/dbraw/zinc/95/33/74/782953374.db2.gz UMKUNYZMSDWRPQ-SNVBAGLBSA-N 1 2 264.350 1.194 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(OC)cs2)C1 ZINC001015500612 782953381 /nfs/dbraw/zinc/95/33/81/782953381.db2.gz UMKUNYZMSDWRPQ-SNVBAGLBSA-N 1 2 264.350 1.194 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(Br)c[nH]2)C1 ZINC001030630106 783024732 /nfs/dbraw/zinc/02/47/32/783024732.db2.gz CUQOXEFPAFSBCZ-UHFFFAOYSA-N 1 2 296.168 1.215 20 30 CDEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+](CC(=O)NCCC#N)C2 ZINC000810099266 783050813 /nfs/dbraw/zinc/05/08/13/783050813.db2.gz GWNSKQNBSOOYAB-UHFFFAOYSA-N 1 2 299.374 1.572 20 30 CDEDLO COc1ccc2c(c1)C1(CC1)C[N@H+](CC(=O)NCCC#N)C2 ZINC000810099266 783050815 /nfs/dbraw/zinc/05/08/15/783050815.db2.gz GWNSKQNBSOOYAB-UHFFFAOYSA-N 1 2 299.374 1.572 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H]2CCOC2)C1 ZINC001042561467 783125485 /nfs/dbraw/zinc/12/54/85/783125485.db2.gz WHEFSMBQWDEWOC-LBPRGKRZSA-N 1 2 252.358 1.132 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(F)ccc2ccncc21 ZINC001038276343 780196992 /nfs/dbraw/zinc/19/69/92/780196992.db2.gz DISJIWQZFMSQAS-CYBMUJFWSA-N 1 2 297.333 1.811 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(F)ccc2ccncc21 ZINC001038276343 780197004 /nfs/dbraw/zinc/19/70/04/780197004.db2.gz DISJIWQZFMSQAS-CYBMUJFWSA-N 1 2 297.333 1.811 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)ccc2C)C1 ZINC001035586980 780328059 /nfs/dbraw/zinc/32/80/59/780328059.db2.gz LSDIALOSFDQFJN-HNNXBMFYSA-N 1 2 288.391 1.920 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)ccc2C)C1 ZINC001035586980 780328067 /nfs/dbraw/zinc/32/80/67/780328067.db2.gz LSDIALOSFDQFJN-HNNXBMFYSA-N 1 2 288.391 1.920 20 30 CDEDLO C#CC1CC[NH+](CCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000830345734 780334667 /nfs/dbraw/zinc/33/46/67/780334667.db2.gz QCSLUKQOGSVYCD-UHFFFAOYSA-N 1 2 295.379 1.945 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1[C@@H](C)CC ZINC000884148610 780349966 /nfs/dbraw/zinc/34/99/66/780349966.db2.gz PBEVBYDOTRDVOM-MELADBBJSA-N 1 2 296.411 1.860 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c[nH]cc2-c2cnn(C)c2)C1 ZINC001030300258 780362000 /nfs/dbraw/zinc/36/20/00/780362000.db2.gz WAFOIUYAIRTJMM-UHFFFAOYSA-N 1 2 299.378 1.405 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnn(C3CCC3)c2)C1 ZINC001030306903 780393180 /nfs/dbraw/zinc/39/31/80/780393180.db2.gz DMSDSYLWMDSTAL-UHFFFAOYSA-N 1 2 272.352 1.045 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1coc(C)c1 ZINC001050890191 780398767 /nfs/dbraw/zinc/39/87/67/780398767.db2.gz CTUHUESORGYUNV-CQSZACIVSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1coc(C)c1 ZINC001050890191 780398776 /nfs/dbraw/zinc/39/87/76/780398776.db2.gz CTUHUESORGYUNV-CQSZACIVSA-N 1 2 278.352 1.595 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1[nH]nc2c1cccc2OC ZINC001038293947 780399243 /nfs/dbraw/zinc/39/92/43/780399243.db2.gz YCLWTGHLWXSQII-NSHDSACASA-N 1 2 298.346 1.009 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1[nH]nc2c1cccc2OC ZINC001038293947 780399255 /nfs/dbraw/zinc/39/92/55/780399255.db2.gz YCLWTGHLWXSQII-NSHDSACASA-N 1 2 298.346 1.009 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2C[C@H]2OCC)C1 ZINC001042504740 780418005 /nfs/dbraw/zinc/41/80/05/780418005.db2.gz NVZPJQSMSRBGMF-QWHCGFSZSA-N 1 2 252.358 1.130 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(Br)nn1C ZINC000787291688 780453433 /nfs/dbraw/zinc/45/34/33/780453433.db2.gz VTPKKXAPTMRJCN-MRVPVSSYSA-N 1 2 256.147 1.636 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(Br)nn1C ZINC000787291688 780453458 /nfs/dbraw/zinc/45/34/58/780453458.db2.gz VTPKKXAPTMRJCN-MRVPVSSYSA-N 1 2 256.147 1.636 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(F)nc2)C1 ZINC001035313012 780612648 /nfs/dbraw/zinc/61/26/48/780612648.db2.gz HKEJZLLKQRGFMX-CYBMUJFWSA-N 1 2 293.342 1.227 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(F)nc2)C1 ZINC001035313012 780612665 /nfs/dbraw/zinc/61/26/65/780612665.db2.gz HKEJZLLKQRGFMX-CYBMUJFWSA-N 1 2 293.342 1.227 20 30 CDEDLO CC[C@@H]([NH2+]C[C@H](O)CC#N)c1nnc2n1CCCCC2 ZINC000931033722 780728626 /nfs/dbraw/zinc/72/86/26/780728626.db2.gz KNNKPKALAXMGIL-VXGBXAGGSA-N 1 2 277.372 1.320 20 30 CDEDLO C#CC[C@H]([NH2+][C@H]1CCO[C@H](C(C)C)C1)C(=O)OC ZINC000839169941 780786008 /nfs/dbraw/zinc/78/60/08/780786008.db2.gz VZJNPZKESUVLSY-AVGNSLFASA-N 1 2 253.342 1.345 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001038665214 780832536 /nfs/dbraw/zinc/83/25/36/780832536.db2.gz NMTVMABKIDXBRZ-JTQLQIEISA-N 1 2 265.744 1.496 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001038665214 780832532 /nfs/dbraw/zinc/83/25/32/780832532.db2.gz NMTVMABKIDXBRZ-JTQLQIEISA-N 1 2 265.744 1.496 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nc[nH]n1 ZINC001039454212 780840896 /nfs/dbraw/zinc/84/08/96/780840896.db2.gz PJFBIETZCQBYTJ-MNOVXSKESA-N 1 2 295.774 1.236 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nc[nH]n1 ZINC001039454212 780840898 /nfs/dbraw/zinc/84/08/98/780840898.db2.gz PJFBIETZCQBYTJ-MNOVXSKESA-N 1 2 295.774 1.236 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)c(OC)c1 ZINC001038486338 780844638 /nfs/dbraw/zinc/84/46/38/780844638.db2.gz UUDREDOFMGCREO-CQSZACIVSA-N 1 2 272.348 1.441 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)c(OC)c1 ZINC001038486338 780844642 /nfs/dbraw/zinc/84/46/42/780844642.db2.gz UUDREDOFMGCREO-CQSZACIVSA-N 1 2 272.348 1.441 20 30 CDEDLO Cc1ncc(C[NH+]2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001031604843 780861036 /nfs/dbraw/zinc/86/10/36/780861036.db2.gz UAVSKTOKNBRPTF-UHFFFAOYSA-N 1 2 299.334 1.045 20 30 CDEDLO C=CCCn1cc(C(=O)NC2C[NH+](CC[C@@H](C)F)C2)nn1 ZINC001031079813 780862685 /nfs/dbraw/zinc/86/26/85/780862685.db2.gz MVSMIDQRYLIILP-LLVKDONJSA-N 1 2 295.362 1.016 20 30 CDEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)CC)C2)CC1 ZINC001051985403 780868244 /nfs/dbraw/zinc/86/82/44/780868244.db2.gz XUOPRQPBWWXBSC-HZPDHXFCSA-N 1 2 291.439 1.274 20 30 CDEDLO C#CCCC[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccnn1C ZINC000859334685 780878578 /nfs/dbraw/zinc/87/85/78/780878578.db2.gz SWGRNGNUXDHOQJ-OAHLLOKOSA-N 1 2 269.352 1.504 20 30 CDEDLO C#CCCC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccnn1C ZINC000859334685 780878580 /nfs/dbraw/zinc/87/85/80/780878580.db2.gz SWGRNGNUXDHOQJ-OAHLLOKOSA-N 1 2 269.352 1.504 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)nc(C)c2)C1 ZINC001035384954 780900705 /nfs/dbraw/zinc/90/07/05/780900705.db2.gz PQPJJYNABDHKEE-OAHLLOKOSA-N 1 2 289.379 1.315 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(C)nc(C)c2)C1 ZINC001035384954 780900708 /nfs/dbraw/zinc/90/07/08/780900708.db2.gz PQPJJYNABDHKEE-OAHLLOKOSA-N 1 2 289.379 1.315 20 30 CDEDLO COCC#CC[N@H+]1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000778298070 780998096 /nfs/dbraw/zinc/99/80/96/780998096.db2.gz VSTYWMQAMOITGT-OKILXGFUSA-N 1 2 296.411 1.966 20 30 CDEDLO COCC#CC[N@@H+]1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000778298070 780998116 /nfs/dbraw/zinc/99/81/16/780998116.db2.gz VSTYWMQAMOITGT-OKILXGFUSA-N 1 2 296.411 1.966 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccco2)C1 ZINC001015882614 781088809 /nfs/dbraw/zinc/08/88/09/781088809.db2.gz VLVGARTYUILMDA-LLVKDONJSA-N 1 2 268.744 1.765 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccco2)C1 ZINC001015882614 781088817 /nfs/dbraw/zinc/08/88/17/781088817.db2.gz VLVGARTYUILMDA-LLVKDONJSA-N 1 2 268.744 1.765 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nccc(C)n1 ZINC001017517948 781120632 /nfs/dbraw/zinc/12/06/32/781120632.db2.gz IGBMXAAXAHTODH-BETUJISGSA-N 1 2 272.352 1.260 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nccc(C)n1 ZINC001017517948 781120647 /nfs/dbraw/zinc/12/06/47/781120647.db2.gz IGBMXAAXAHTODH-BETUJISGSA-N 1 2 272.352 1.260 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc2nonc21 ZINC000847179434 781131998 /nfs/dbraw/zinc/13/19/98/781131998.db2.gz APBUQQNDJCXJGS-LBPRGKRZSA-N 1 2 270.292 1.259 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc2nonc21 ZINC000847179434 781132008 /nfs/dbraw/zinc/13/20/08/781132008.db2.gz APBUQQNDJCXJGS-LBPRGKRZSA-N 1 2 270.292 1.259 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OC)c1 ZINC001018210451 781142659 /nfs/dbraw/zinc/14/26/59/781142659.db2.gz KCBMOQOLWPMHDA-GASCZTMLSA-N 1 2 284.359 1.617 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OC)c1 ZINC001018210451 781142680 /nfs/dbraw/zinc/14/26/80/781142680.db2.gz KCBMOQOLWPMHDA-GASCZTMLSA-N 1 2 284.359 1.617 20 30 CDEDLO C#CCC(C)(C)C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000874707567 781156836 /nfs/dbraw/zinc/15/68/36/781156836.db2.gz NBWNWNNEYOMLGG-CYBMUJFWSA-N 1 2 266.385 1.263 20 30 CDEDLO C#CCC(C)(C)C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000874707567 781156849 /nfs/dbraw/zinc/15/68/49/781156849.db2.gz NBWNWNNEYOMLGG-CYBMUJFWSA-N 1 2 266.385 1.263 20 30 CDEDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[N@H+](CCCC#N)CCO1 ZINC000158888917 781339687 /nfs/dbraw/zinc/33/96/87/781339687.db2.gz YXIMGXJSIGFLFX-QWHCGFSZSA-N 1 2 297.399 1.904 20 30 CDEDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[N@@H+](CCCC#N)CCO1 ZINC000158888917 781339693 /nfs/dbraw/zinc/33/96/93/781339693.db2.gz YXIMGXJSIGFLFX-QWHCGFSZSA-N 1 2 297.399 1.904 20 30 CDEDLO C#CCC1(NC(=O)CC[NH+]2CCN(C(C)C)CC2)CCC1 ZINC000886800584 781458247 /nfs/dbraw/zinc/45/82/47/781458247.db2.gz YTRVECVMJGGNSN-UHFFFAOYSA-N 1 2 291.439 1.465 20 30 CDEDLO C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1NCC#N ZINC001036269637 781486798 /nfs/dbraw/zinc/48/67/98/781486798.db2.gz VSSWVBBAPYKASG-VXGBXAGGSA-N 1 2 289.383 1.037 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)n2cccc2)C1 ZINC001010567140 781606665 /nfs/dbraw/zinc/60/66/65/781606665.db2.gz NDANWHYDKHWFLF-QWHCGFSZSA-N 1 2 281.787 1.992 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)n2cccc2)C1 ZINC001010567140 781606676 /nfs/dbraw/zinc/60/66/76/781606676.db2.gz NDANWHYDKHWFLF-QWHCGFSZSA-N 1 2 281.787 1.992 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C(C)(C)C)nn2C)C1 ZINC001030893343 781627119 /nfs/dbraw/zinc/62/71/19/781627119.db2.gz FSURORDOKFRTFL-UHFFFAOYSA-N 1 2 288.395 1.155 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000884307165 781803695 /nfs/dbraw/zinc/80/36/95/781803695.db2.gz AMPGLLHFJOONBB-FRRDWIJNSA-N 1 2 282.384 1.470 20 30 CDEDLO C#CC[C@@H](NC1CCN(c2cccc[nH+]2)CC1)C(=O)OC ZINC000839168196 781862155 /nfs/dbraw/zinc/86/21/55/781862155.db2.gz IWEWYZJZJPCUQV-CQSZACIVSA-N 1 2 287.363 1.205 20 30 CDEDLO CCCCNC(=O)CO[NH+]=C(N)Cc1ccc(OC)cc1 ZINC000060455392 781876308 /nfs/dbraw/zinc/87/63/08/781876308.db2.gz GEQAURRIOQIHAQ-UHFFFAOYSA-N 1 2 293.367 1.443 20 30 CDEDLO C#C[C@H]([NH2+]Cc1ncc(CC)s1)[C@H]1CCCO1 ZINC000775345860 781882367 /nfs/dbraw/zinc/88/23/67/781882367.db2.gz QRPZIIBOOFVGGK-NWDGAFQWSA-N 1 2 250.367 1.976 20 30 CDEDLO C[C@@H](C#N)OCC[N@H+](CCO)Cc1cccnc1Cl ZINC000801953789 781904782 /nfs/dbraw/zinc/90/47/82/781904782.db2.gz VEQFLUHBUCITHT-NSHDSACASA-N 1 2 283.759 1.458 20 30 CDEDLO C[C@@H](C#N)OCC[N@@H+](CCO)Cc1cccnc1Cl ZINC000801953789 781904791 /nfs/dbraw/zinc/90/47/91/781904791.db2.gz VEQFLUHBUCITHT-NSHDSACASA-N 1 2 283.759 1.458 20 30 CDEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)SC)C2)CC1 ZINC001051989457 783318922 /nfs/dbraw/zinc/31/89/22/783318922.db2.gz GRAGEIXTJCYCDG-KGLIPLIRSA-N 1 2 297.468 1.142 20 30 CDEDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCN(CC#N)CC1 ZINC000876677030 783394463 /nfs/dbraw/zinc/39/44/63/783394463.db2.gz FOBSTOBVZYKEML-UHFFFAOYSA-N 1 2 288.351 1.853 20 30 CDEDLO CN(C)c1cc(C#N)cc(C(=O)OCc2cc[nH+]c(N)c2)c1 ZINC000814571247 783399905 /nfs/dbraw/zinc/39/99/05/783399905.db2.gz GACLNULBHHTRNO-UHFFFAOYSA-N 1 2 296.330 1.958 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC1(C)C ZINC001050875022 783405225 /nfs/dbraw/zinc/40/52/25/783405225.db2.gz XEDWVXTZGMYUMQ-CHWSQXEVSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC1(C)C ZINC001050875022 783405240 /nfs/dbraw/zinc/40/52/40/783405240.db2.gz XEDWVXTZGMYUMQ-CHWSQXEVSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cn2nc(C)c3cccnc32)C1 ZINC001043422880 783477825 /nfs/dbraw/zinc/47/78/25/783477825.db2.gz HOQRWSKPSKSKSM-UHFFFAOYSA-N 1 2 299.378 1.068 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C)sc1C ZINC001032469636 783513286 /nfs/dbraw/zinc/51/32/86/783513286.db2.gz WEHYPYQZESQEJQ-RYUDHWBXSA-N 1 2 277.393 1.845 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C)sc1C ZINC001032469636 783513299 /nfs/dbraw/zinc/51/32/99/783513299.db2.gz WEHYPYQZESQEJQ-RYUDHWBXSA-N 1 2 277.393 1.845 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNc2ccc(C3(C#N)CCC3)cn2)C1 ZINC001155197342 1167106722 /nfs/dbraw/zinc/10/67/22/1167106722.db2.gz SPPJVJZCRURQJE-CQSZACIVSA-N 1 2 286.379 1.769 20 30 CDEDLO C[N@H+]1CCO[C@H](CNc2ccc(C3(C#N)CCC3)cn2)C1 ZINC001155197342 1167106728 /nfs/dbraw/zinc/10/67/28/1167106728.db2.gz SPPJVJZCRURQJE-CQSZACIVSA-N 1 2 286.379 1.769 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2nnc3ccccc3n2)C1 ZINC001030687466 912505391 /nfs/dbraw/zinc/50/53/91/912505391.db2.gz ZEEATZUIYNAEOL-UHFFFAOYSA-N 1 2 283.335 1.015 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn[nH]1)C2 ZINC001095196053 912596032 /nfs/dbraw/zinc/59/60/32/912596032.db2.gz GRTMOGQDCCUCIB-USWWRNFRSA-N 1 2 280.759 1.497 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn[nH]1)C2 ZINC001095196053 912596052 /nfs/dbraw/zinc/59/60/52/912596052.db2.gz GRTMOGQDCCUCIB-USWWRNFRSA-N 1 2 280.759 1.497 20 30 CDEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnns1)C2 ZINC001095206956 912606992 /nfs/dbraw/zinc/60/69/92/912606992.db2.gz XVXWTODWQKIQKB-UTLUCORTSA-N 1 2 264.354 1.059 20 30 CDEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnns1)C2 ZINC001095206956 912607006 /nfs/dbraw/zinc/60/70/06/912607006.db2.gz XVXWTODWQKIQKB-UTLUCORTSA-N 1 2 264.354 1.059 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCOC1)C2 ZINC001095254510 912792925 /nfs/dbraw/zinc/79/29/25/912792925.db2.gz ALSCGHSMNWLCPA-MQYQWHSLSA-N 1 2 298.814 1.887 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCOC1)C2 ZINC001095254510 912792943 /nfs/dbraw/zinc/79/29/43/912792943.db2.gz ALSCGHSMNWLCPA-MQYQWHSLSA-N 1 2 298.814 1.887 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2c(C)noc2Cl)C1 ZINC001031098689 913597943 /nfs/dbraw/zinc/59/79/43/913597943.db2.gz JCZTZLWCQCXATP-UHFFFAOYSA-N 1 2 281.743 1.003 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn2c(cccc2C)n1 ZINC001039008041 893971285 /nfs/dbraw/zinc/97/12/85/893971285.db2.gz ZUCCMGWRXJXHJZ-CQSZACIVSA-N 1 2 296.374 1.470 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn2c(cccc2C)n1 ZINC001039008041 893971290 /nfs/dbraw/zinc/97/12/90/893971290.db2.gz ZUCCMGWRXJXHJZ-CQSZACIVSA-N 1 2 296.374 1.470 20 30 CDEDLO Cc1nc(NCC[C@@H](C)NC(=O)C#CC2CC2)cc[nH+]1 ZINC001106301712 913830508 /nfs/dbraw/zinc/83/05/08/913830508.db2.gz PQASOBGYHHIYKR-LLVKDONJSA-N 1 2 272.352 1.505 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccoc1Cl ZINC001038189262 895201260 /nfs/dbraw/zinc/20/12/60/895201260.db2.gz DZFWKCVQENWTQT-JTQLQIEISA-N 1 2 266.728 1.760 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccoc1Cl ZINC001038189262 895201273 /nfs/dbraw/zinc/20/12/73/895201273.db2.gz DZFWKCVQENWTQT-JTQLQIEISA-N 1 2 266.728 1.760 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCC(=O)N[C@@H](C)C(C)C)ccc1F ZINC000121069589 895244403 /nfs/dbraw/zinc/24/44/03/895244403.db2.gz ZGVDWWBSPUGGGT-NSHDSACASA-N 1 2 295.358 1.932 20 30 CDEDLO CC(C)(C)[C@@H](C[NH+]1CCOCC1)NC(=O)C(C)(C)C#N ZINC001143407971 896255044 /nfs/dbraw/zinc/25/50/44/896255044.db2.gz LZIYMDKLDPHKPX-GFCCVEGCSA-N 1 2 281.400 1.399 20 30 CDEDLO N#Cc1cccc2c1CC[C@H]2NC(=O)CCn1cc[nH+]c1 ZINC001176884118 914336850 /nfs/dbraw/zinc/33/68/50/914336850.db2.gz WTZZAMPCOIYUBY-OAHLLOKOSA-N 1 2 280.331 1.949 20 30 CDEDLO CC1(C#N)CN(C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC001176958264 914399879 /nfs/dbraw/zinc/39/98/79/914399879.db2.gz OQIMWAIHBXWDDN-ZDUSSCGKSA-N 1 2 284.363 1.670 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccn[nH]1 ZINC001027767859 900800696 /nfs/dbraw/zinc/80/06/96/900800696.db2.gz LEVZUAMWAMGCOE-JTQLQIEISA-N 1 2 268.748 1.356 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccn[nH]1 ZINC001027767859 900800703 /nfs/dbraw/zinc/80/07/03/900800703.db2.gz LEVZUAMWAMGCOE-JTQLQIEISA-N 1 2 268.748 1.356 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001010059731 900894047 /nfs/dbraw/zinc/89/40/47/900894047.db2.gz NNDNEHYFGWKYJI-HOTGVXAUSA-N 1 2 299.374 1.428 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001010059731 900894051 /nfs/dbraw/zinc/89/40/51/900894051.db2.gz NNDNEHYFGWKYJI-HOTGVXAUSA-N 1 2 299.374 1.428 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC001027992880 901122116 /nfs/dbraw/zinc/12/21/16/901122116.db2.gz GRVPMOBWDDQTFB-LBPRGKRZSA-N 1 2 286.379 1.116 20 30 CDEDLO CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC001027992880 901122123 /nfs/dbraw/zinc/12/21/23/901122123.db2.gz GRVPMOBWDDQTFB-LBPRGKRZSA-N 1 2 286.379 1.116 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2ccon2)C1 ZINC001010329431 901321538 /nfs/dbraw/zinc/32/15/38/901321538.db2.gz BWUOIMSPKMGIFO-CQSZACIVSA-N 1 2 296.330 1.551 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2ccon2)C1 ZINC001010329431 901321541 /nfs/dbraw/zinc/32/15/41/901321541.db2.gz BWUOIMSPKMGIFO-CQSZACIVSA-N 1 2 296.330 1.551 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)OC)[C@@H]2C1 ZINC001075606507 901494102 /nfs/dbraw/zinc/49/41/02/901494102.db2.gz QASBEQNRVDFIBA-XQQFMLRXSA-N 1 2 286.803 1.697 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)OC)[C@@H]2C1 ZINC001075606507 901494110 /nfs/dbraw/zinc/49/41/10/901494110.db2.gz QASBEQNRVDFIBA-XQQFMLRXSA-N 1 2 286.803 1.697 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(-c3ccoc3)n[nH]2)C1 ZINC001031391042 914594832 /nfs/dbraw/zinc/59/48/32/914594832.db2.gz BIZRCMKUHKUDNG-UHFFFAOYSA-N 1 2 284.319 1.107 20 30 CDEDLO CO/N=C(\C(=O)Nc1cccc2[nH+]ccn21)c1ccco1 ZINC001177346689 914631365 /nfs/dbraw/zinc/63/13/65/914631365.db2.gz AVMXALMHSYCVQM-LGMDPLHJSA-N 1 2 284.275 1.917 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1ncc(C(C)C)o1 ZINC001126379175 902589847 /nfs/dbraw/zinc/58/98/47/902589847.db2.gz ZBZPZUOTAVRSML-HNNXBMFYSA-N 1 2 295.383 1.331 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cn(C)nc1C ZINC001422153260 902665678 /nfs/dbraw/zinc/66/56/78/902665678.db2.gz SXHREJNPAAHVDX-UHFFFAOYSA-N 1 2 284.791 1.485 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cn(C)nc1C ZINC001422153260 902665681 /nfs/dbraw/zinc/66/56/81/902665681.db2.gz SXHREJNPAAHVDX-UHFFFAOYSA-N 1 2 284.791 1.485 20 30 CDEDLO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001075820234 905862863 /nfs/dbraw/zinc/86/28/63/905862863.db2.gz SXGOFGYYNSWVSU-AXFHLTTASA-N 1 2 292.276 1.443 20 30 CDEDLO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001075820234 905862889 /nfs/dbraw/zinc/86/28/89/905862889.db2.gz SXGOFGYYNSWVSU-AXFHLTTASA-N 1 2 292.276 1.443 20 30 CDEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCF)c1 ZINC001029466538 906038634 /nfs/dbraw/zinc/03/86/34/906038634.db2.gz DZQUGKPFLHQGOF-GASCZTMLSA-N 1 2 287.338 1.321 20 30 CDEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCF)c1 ZINC001029466538 906038647 /nfs/dbraw/zinc/03/86/47/906038647.db2.gz DZQUGKPFLHQGOF-GASCZTMLSA-N 1 2 287.338 1.321 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C1(C)CCOCC1 ZINC001482635486 908092830 /nfs/dbraw/zinc/09/28/30/908092830.db2.gz DINMXRFWVCPSSD-UHFFFAOYSA-N 1 2 288.819 1.946 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C1(C)CCOCC1 ZINC001482635486 908092841 /nfs/dbraw/zinc/09/28/41/908092841.db2.gz DINMXRFWVCPSSD-UHFFFAOYSA-N 1 2 288.819 1.946 20 30 CDEDLO CCCC#CC(=O)N1CC2(C1)C[NH+](Cc1cccc(=O)[nH]1)C2 ZINC001272111405 908558535 /nfs/dbraw/zinc/55/85/35/908558535.db2.gz FANLGYMZFMQTEO-UHFFFAOYSA-N 1 2 299.374 1.235 20 30 CDEDLO 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270.329 1.153 20 30 CDEDLO COC(=O)[C@@H](Cc1c[nH+]cn1C)N[C@H](C)CCCC#N ZINC001172488069 911727232 /nfs/dbraw/zinc/72/72/32/911727232.db2.gz KYQYGSDNGXILBK-DGCLKSJQSA-N 1 2 278.356 1.176 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172712988 911913364 /nfs/dbraw/zinc/91/33/64/911913364.db2.gz CIGYMHVVKRQOJB-ZIAGYGMSSA-N 1 2 261.756 1.605 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c[nH]nc2C(C)C)C1 ZINC001030593870 912101115 /nfs/dbraw/zinc/10/11/15/912101115.db2.gz STMJIOVLQPASMJ-UHFFFAOYSA-N 1 2 262.357 1.523 20 30 CDEDLO O=C(C#Cc1ccccn1)Nc1cc[nH+]c2c1CCC2 ZINC001177798997 914942001 /nfs/dbraw/zinc/94/20/01/914942001.db2.gz PLMCFYKPLZGHIY-UHFFFAOYSA-N 1 2 263.300 1.377 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CC[C@@H](C)[C@H]2C)c1=S ZINC000174962593 914945959 /nfs/dbraw/zinc/94/59/59/914945959.db2.gz VQDHMOVRHADKJQ-NXEZZACHSA-N 1 2 253.375 1.683 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CC[C@@H](C)[C@H]2C)c1=S ZINC000174962593 914945969 /nfs/dbraw/zinc/94/59/69/914945969.db2.gz 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C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)/C(C)=C\C)C2)CC1 ZINC001052010094 936575720 /nfs/dbraw/zinc/57/57/20/936575720.db2.gz SOYUPYOOPWRSLY-STJUIISESA-N 1 2 289.423 1.194 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(F)cnc2Cl)CC1 ZINC001138895776 936578833 /nfs/dbraw/zinc/57/88/33/936578833.db2.gz LIBQQLCUMIWGNM-UHFFFAOYSA-N 1 2 267.735 1.625 20 30 CDEDLO N#CCC1C[NH+](Cc2ccnc(N3CCOCC3)c2)C1 ZINC001137429590 936596493 /nfs/dbraw/zinc/59/64/93/936596493.db2.gz DXAPAAIMBTXTJC-UHFFFAOYSA-N 1 2 272.352 1.264 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2cnc(N)s2)CC1 ZINC001139230200 936609622 /nfs/dbraw/zinc/60/96/22/936609622.db2.gz XVZWLZBBUFCZSW-UHFFFAOYSA-N 1 2 280.353 1.004 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc3nsnc3c2)CC1 ZINC001139211990 936607014 /nfs/dbraw/zinc/60/70/14/936607014.db2.gz OPHBIOGRVAQOFJ-UHFFFAOYSA-N 1 2 272.377 1.442 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001185967904 919832243 /nfs/dbraw/zinc/83/22/43/919832243.db2.gz DUBDHYHAHRGBFR-GFCCVEGCSA-N 1 2 292.383 1.671 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccccc1C#C ZINC001032753881 919925753 /nfs/dbraw/zinc/92/57/53/919925753.db2.gz QEJKDHROMVJIBC-IRXDYDNUSA-N 1 2 278.355 1.129 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccccc1C#C ZINC001032753881 919925767 /nfs/dbraw/zinc/92/57/67/919925767.db2.gz QEJKDHROMVJIBC-IRXDYDNUSA-N 1 2 278.355 1.129 20 30 CDEDLO Cc1nc(NC[C@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001068324484 936625677 /nfs/dbraw/zinc/62/56/77/936625677.db2.gz VLGDVZWHBMHJHT-IUODEOHRSA-N 1 2 298.390 1.847 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncc2n1CCCC2 ZINC001032790951 920107187 /nfs/dbraw/zinc/10/71/87/920107187.db2.gz DERUGEWLRAMHKT-GJZGRUSLSA-N 1 2 298.390 1.141 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncc2n1CCCC2 ZINC001032790951 920107196 /nfs/dbraw/zinc/10/71/96/920107196.db2.gz DERUGEWLRAMHKT-GJZGRUSLSA-N 1 2 298.390 1.141 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC001190428793 922009189 /nfs/dbraw/zinc/00/91/89/922009189.db2.gz QEZCOZGRQBUSMK-OAHLLOKOSA-N 1 2 290.411 1.809 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C)n2)C1 ZINC001190428793 922009201 /nfs/dbraw/zinc/00/92/01/922009201.db2.gz QEZCOZGRQBUSMK-OAHLLOKOSA-N 1 2 290.411 1.809 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC001190428792 922010457 /nfs/dbraw/zinc/01/04/57/922010457.db2.gz QEZCOZGRQBUSMK-HNNXBMFYSA-N 1 2 290.411 1.809 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C)n2)C1 ZINC001190428792 922010471 /nfs/dbraw/zinc/01/04/71/922010471.db2.gz QEZCOZGRQBUSMK-HNNXBMFYSA-N 1 2 290.411 1.809 20 30 CDEDLO CN(C)c1cc(COC(=O)c2ccc(C#N)n2C)cc[nH+]1 ZINC000835286520 936727970 /nfs/dbraw/zinc/72/79/70/936727970.db2.gz GNJOSGURVRNJSG-UHFFFAOYSA-N 1 2 284.319 1.715 20 30 CDEDLO CC#CC[NH+]1CCN(Cc2ccc(CNC(C)=O)cc2)CC1 ZINC001074111308 936733567 /nfs/dbraw/zinc/73/35/67/936733567.db2.gz LCXUENDXSYSAAQ-UHFFFAOYSA-N 1 2 299.418 1.464 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)C)C[C@H]21 ZINC001074387243 936736627 /nfs/dbraw/zinc/73/66/27/936736627.db2.gz HWHARYKRIPXSBI-KGLIPLIRSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)C)C[C@H]21 ZINC001074387243 936736628 /nfs/dbraw/zinc/73/66/28/936736628.db2.gz HWHARYKRIPXSBI-KGLIPLIRSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001033435762 922219087 /nfs/dbraw/zinc/21/90/87/922219087.db2.gz DJQBSUSTEPDWIA-JHJVBQTASA-N 1 2 286.803 1.839 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001033435762 922219100 /nfs/dbraw/zinc/21/91/00/922219100.db2.gz DJQBSUSTEPDWIA-JHJVBQTASA-N 1 2 286.803 1.839 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2cc(OC)ns2)C1 ZINC001033835938 922385571 /nfs/dbraw/zinc/38/55/71/922385571.db2.gz DKKKHZYAWMEEKQ-NSHDSACASA-N 1 2 293.392 1.321 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(OC)ns2)C1 ZINC001033835938 922385578 /nfs/dbraw/zinc/38/55/78/922385578.db2.gz DKKKHZYAWMEEKQ-NSHDSACASA-N 1 2 293.392 1.321 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCO2)C1 ZINC001034087053 922480449 /nfs/dbraw/zinc/48/04/49/922480449.db2.gz GYRRSVSEPSBBAR-CHWSQXEVSA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCO2)C1 ZINC001034087053 922480459 /nfs/dbraw/zinc/48/04/59/922480459.db2.gz GYRRSVSEPSBBAR-CHWSQXEVSA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001034197406 922539731 /nfs/dbraw/zinc/53/97/31/922539731.db2.gz SQEZQHGNPLLDAP-LLVKDONJSA-N 1 2 297.790 1.152 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001034197406 922539738 /nfs/dbraw/zinc/53/97/38/922539738.db2.gz SQEZQHGNPLLDAP-LLVKDONJSA-N 1 2 297.790 1.152 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]ccc2C)[C@H](O)C1 ZINC001090233185 922719835 /nfs/dbraw/zinc/71/98/35/922719835.db2.gz FOAKBBSFQFMADE-NWDGAFQWSA-N 1 2 297.786 1.241 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]ccc2C)[C@H](O)C1 ZINC001090233185 922719851 /nfs/dbraw/zinc/71/98/51/922719851.db2.gz FOAKBBSFQFMADE-NWDGAFQWSA-N 1 2 297.786 1.241 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001108148367 922780426 /nfs/dbraw/zinc/78/04/26/922780426.db2.gz KLJLNUGQOWKPLK-XJKSGUPXSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001108148367 922780434 /nfs/dbraw/zinc/78/04/34/922780434.db2.gz KLJLNUGQOWKPLK-XJKSGUPXSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C)o1 ZINC001035016186 922871558 /nfs/dbraw/zinc/87/15/58/922871558.db2.gz SWNHPBAYMCZIIZ-GFCCVEGCSA-N 1 2 292.383 1.671 20 30 CDEDLO C#CCN1CC[NH+](Cc2ccc3cccc(O)c3n2)CC1 ZINC001141022648 936793813 /nfs/dbraw/zinc/79/38/13/936793813.db2.gz ZTFOWLGNUUSCQO-UHFFFAOYSA-N 1 2 281.359 1.691 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc3cccc(O)c3n2)CC1 ZINC001141022648 936793815 /nfs/dbraw/zinc/79/38/15/936793815.db2.gz ZTFOWLGNUUSCQO-UHFFFAOYSA-N 1 2 281.359 1.691 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC(C)(F)F)[C@@H](O)C1 ZINC001099991829 936829711 /nfs/dbraw/zinc/82/97/11/936829711.db2.gz QJIGGRMXYZAVGS-UWVGGRQHSA-N 1 2 296.745 1.336 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC(C)(F)F)[C@@H](O)C1 ZINC001099991829 936829712 /nfs/dbraw/zinc/82/97/12/936829712.db2.gz QJIGGRMXYZAVGS-UWVGGRQHSA-N 1 2 296.745 1.336 20 30 CDEDLO Cc1cccn2c([C@H](C)NS(=O)(=O)CC#N)c[nH+]c12 ZINC001193002312 923379779 /nfs/dbraw/zinc/37/97/79/923379779.db2.gz BRYNMZSGARQCEO-JTQLQIEISA-N 1 2 278.337 1.147 20 30 CDEDLO C=CCOC(=O)N1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001194309712 924147650 /nfs/dbraw/zinc/14/76/50/924147650.db2.gz BHEHTYIXYBZOLR-UHFFFAOYSA-N 1 2 260.284 1.724 20 30 CDEDLO C=CCOC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](CO)C1 ZINC001194287240 924162435 /nfs/dbraw/zinc/16/24/35/924162435.db2.gz UTDFRDGDRPBHOK-OAHLLOKOSA-N 1 2 290.363 1.488 20 30 CDEDLO C=CCOC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](CO)C1 ZINC001194287240 924162440 /nfs/dbraw/zinc/16/24/40/924162440.db2.gz UTDFRDGDRPBHOK-OAHLLOKOSA-N 1 2 290.363 1.488 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnsn2)C1 ZINC001079444566 924320541 /nfs/dbraw/zinc/32/05/41/924320541.db2.gz ZUTNWGQXUOUYMS-GMSGAONNSA-N 1 2 286.788 1.341 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnsn2)C1 ZINC001079444566 924320546 /nfs/dbraw/zinc/32/05/46/924320546.db2.gz ZUTNWGQXUOUYMS-GMSGAONNSA-N 1 2 286.788 1.341 20 30 CDEDLO C=CCOCC(=O)N1CCC[N@@H+](Cc2cc(C)no2)CC1 ZINC001195314913 924545491 /nfs/dbraw/zinc/54/54/91/924545491.db2.gz VWJWMBDELDCXTM-UHFFFAOYSA-N 1 2 293.367 1.220 20 30 CDEDLO C=CCOCC(=O)N1CCC[N@H+](Cc2cc(C)no2)CC1 ZINC001195314913 924545493 /nfs/dbraw/zinc/54/54/93/924545493.db2.gz VWJWMBDELDCXTM-UHFFFAOYSA-N 1 2 293.367 1.220 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001195566767 924666189 /nfs/dbraw/zinc/66/61/89/924666189.db2.gz CLYUVTIQEAQXBJ-NEFWEQRUSA-N 1 2 286.803 1.503 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001195566767 924666194 /nfs/dbraw/zinc/66/61/94/924666194.db2.gz CLYUVTIQEAQXBJ-NEFWEQRUSA-N 1 2 286.803 1.503 20 30 CDEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(C)=O ZINC001081236034 924716795 /nfs/dbraw/zinc/71/67/95/924716795.db2.gz QCEKWACYUWIEGF-HUUCEWRRSA-N 1 2 291.326 1.033 20 30 CDEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(C)=O ZINC001081236034 924716802 /nfs/dbraw/zinc/71/68/02/924716802.db2.gz QCEKWACYUWIEGF-HUUCEWRRSA-N 1 2 291.326 1.033 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2oc(C)cc2C)[C@H](OC)C1 ZINC001081504761 924759864 /nfs/dbraw/zinc/75/98/64/924759864.db2.gz OVFUCNKFLIBGRY-ZIAGYGMSSA-N 1 2 290.363 1.349 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2oc(C)cc2C)[C@H](OC)C1 ZINC001081504761 924759868 /nfs/dbraw/zinc/75/98/68/924759868.db2.gz OVFUCNKFLIBGRY-ZIAGYGMSSA-N 1 2 290.363 1.349 20 30 CDEDLO CCN(C(=S)Nc1ccccc1C#N)C1C[NH+](C)C1 ZINC001196312759 924863746 /nfs/dbraw/zinc/86/37/46/924863746.db2.gz GFMYIUAUVXZJAF-UHFFFAOYSA-N 1 2 274.393 1.891 20 30 CDEDLO CSc1nc(C[N@@H+]2CCOC[C@@](C)(O)C2)ccc1C#N ZINC001141931612 936955408 /nfs/dbraw/zinc/95/54/08/936955408.db2.gz GNYNAFIUJCQTCQ-AWEZNQCLSA-N 1 2 293.392 1.258 20 30 CDEDLO CSc1nc(C[N@H+]2CCOC[C@@](C)(O)C2)ccc1C#N ZINC001141931612 936955410 /nfs/dbraw/zinc/95/54/10/936955410.db2.gz GNYNAFIUJCQTCQ-AWEZNQCLSA-N 1 2 293.392 1.258 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](CCF)CC1 ZINC001196853256 925001425 /nfs/dbraw/zinc/00/14/25/925001425.db2.gz JFADWDBHQYJJEI-STQMWFEESA-N 1 2 256.365 1.948 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC001196853256 925001435 /nfs/dbraw/zinc/00/14/35/925001435.db2.gz JFADWDBHQYJJEI-STQMWFEESA-N 1 2 256.365 1.948 20 30 CDEDLO C=CCn1cccc1C(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001084408700 925256637 /nfs/dbraw/zinc/25/66/37/925256637.db2.gz WIXAFKCAHLAQBZ-UKRRQHHQSA-N 1 2 291.370 1.790 20 30 CDEDLO C=CCn1cccc1C(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001084408700 925256640 /nfs/dbraw/zinc/25/66/40/925256640.db2.gz WIXAFKCAHLAQBZ-UKRRQHHQSA-N 1 2 291.370 1.790 20 30 CDEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](CCF)C[C@H]32)cc1 ZINC001084567784 925286015 /nfs/dbraw/zinc/28/60/15/925286015.db2.gz JGMQLTMTZLAONE-HZPDHXFCSA-N 1 2 286.350 1.784 20 30 CDEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](CCF)C[C@H]32)cc1 ZINC001084567784 925286020 /nfs/dbraw/zinc/28/60/20/925286020.db2.gz JGMQLTMTZLAONE-HZPDHXFCSA-N 1 2 286.350 1.784 20 30 CDEDLO CC(C)(C)c1nc[nH]c1C[NH+]1CCN(CCC#N)CC1 ZINC001142226393 936992095 /nfs/dbraw/zinc/99/20/95/936992095.db2.gz IGPFZLLIACUWIG-UHFFFAOYSA-N 1 2 275.400 1.738 20 30 CDEDLO C=CCCOCC(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101667522 936998541 /nfs/dbraw/zinc/99/85/41/936998541.db2.gz GHNRHIDIHKNRBC-UHFFFAOYSA-N 1 2 278.356 1.248 20 30 CDEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001110533946 925744508 /nfs/dbraw/zinc/74/45/08/925744508.db2.gz OBYFPRWGAGYXHW-UPJWGTAASA-N 1 2 252.333 1.337 20 30 CDEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001110533946 925744514 /nfs/dbraw/zinc/74/45/14/925744514.db2.gz OBYFPRWGAGYXHW-UPJWGTAASA-N 1 2 252.333 1.337 20 30 CDEDLO C=C(C)C(=O)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001142510484 937025039 /nfs/dbraw/zinc/02/50/39/937025039.db2.gz XUPIOUJWBIGOTD-UHFFFAOYSA-N 1 2 272.308 1.380 20 30 CDEDLO Cc1ccc(C#N)c(N[C@H](C)CNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001098307103 925913500 /nfs/dbraw/zinc/91/35/00/925913500.db2.gz UGRJFYLCOGJHPS-LLVKDONJSA-N 1 2 298.350 1.144 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C)nc1C(F)F ZINC001085644996 926245492 /nfs/dbraw/zinc/24/54/92/926245492.db2.gz FSTNWDKHBLDVFG-SNVBAGLBSA-N 1 2 296.321 1.137 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C)nc1C(F)F ZINC001085644996 926245498 /nfs/dbraw/zinc/24/54/98/926245498.db2.gz FSTNWDKHBLDVFG-SNVBAGLBSA-N 1 2 296.321 1.137 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nc(Cl)sc1C ZINC001085715151 926319216 /nfs/dbraw/zinc/31/92/16/926319216.db2.gz DCLLNMRKNZMGMR-JTQLQIEISA-N 1 2 297.811 1.884 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nc(Cl)sc1C ZINC001085715151 926319225 /nfs/dbraw/zinc/31/92/25/926319225.db2.gz DCLLNMRKNZMGMR-JTQLQIEISA-N 1 2 297.811 1.884 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc2onc(C)c2c1 ZINC001085755075 926359170 /nfs/dbraw/zinc/35/91/70/926359170.db2.gz WHAPFTOYDCGDTO-ZDUSSCGKSA-N 1 2 298.346 1.311 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc2onc(C)c2c1 ZINC001085755075 926359177 /nfs/dbraw/zinc/35/91/77/926359177.db2.gz WHAPFTOYDCGDTO-ZDUSSCGKSA-N 1 2 298.346 1.311 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(-c2ccco2)on1 ZINC001085751114 926360252 /nfs/dbraw/zinc/36/02/52/926360252.db2.gz XXEBBVCYWJGJED-GFCCVEGCSA-N 1 2 299.330 1.714 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(-c2ccco2)on1 ZINC001085751114 926360263 /nfs/dbraw/zinc/36/02/63/926360263.db2.gz XXEBBVCYWJGJED-GFCCVEGCSA-N 1 2 299.330 1.714 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1conc1C1CC1 ZINC001085812794 926419034 /nfs/dbraw/zinc/41/90/34/926419034.db2.gz LXFYQAUKQPHLDN-CYBMUJFWSA-N 1 2 287.363 1.722 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1conc1C1CC1 ZINC001085812794 926419042 /nfs/dbraw/zinc/41/90/42/926419042.db2.gz LXFYQAUKQPHLDN-CYBMUJFWSA-N 1 2 287.363 1.722 20 30 CDEDLO N#CCCN1CC[NH+](CC2(Br)CC2)CC1 ZINC000846834400 926526534 /nfs/dbraw/zinc/52/65/34/926526534.db2.gz CDXMHLVKJSCSAF-UHFFFAOYSA-N 1 2 272.190 1.445 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1sc(C)nc1C ZINC001085962813 926548387 /nfs/dbraw/zinc/54/83/87/926548387.db2.gz PTCDFQDPDOYVCS-ZDUSSCGKSA-N 1 2 291.420 1.930 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1sc(C)nc1C ZINC001085962813 926548393 /nfs/dbraw/zinc/54/83/93/926548393.db2.gz PTCDFQDPDOYVCS-ZDUSSCGKSA-N 1 2 291.420 1.930 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001108228005 926548880 /nfs/dbraw/zinc/54/88/80/926548880.db2.gz LCGQVOCIXNMUCM-NFAWXSAZSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001108228005 926548889 /nfs/dbraw/zinc/54/88/89/926548889.db2.gz LCGQVOCIXNMUCM-NFAWXSAZSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(C)[nH]c2C)C1 ZINC001108246493 926768964 /nfs/dbraw/zinc/76/89/64/926768964.db2.gz NYQIJHARHSUKBW-MRXNPFEDSA-N 1 2 291.395 1.638 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(C)[nH]c2C)C1 ZINC001108246493 926768971 /nfs/dbraw/zinc/76/89/71/926768971.db2.gz NYQIJHARHSUKBW-MRXNPFEDSA-N 1 2 291.395 1.638 20 30 CDEDLO N#CCCN(CCC#N)Cc1ccc2[nH+]ccn2c1 ZINC001143026959 937108449 /nfs/dbraw/zinc/10/84/49/937108449.db2.gz HTESNPFYWBNWRU-UHFFFAOYSA-N 1 2 253.309 1.964 20 30 CDEDLO CN(C)C(=O)CC[N@H+](C)Cc1c(F)ccc(C#N)c1F ZINC001143174744 937129249 /nfs/dbraw/zinc/12/92/49/937129249.db2.gz WUPWDAHILOUISN-UHFFFAOYSA-N 1 2 281.306 1.747 20 30 CDEDLO CN(C)C(=O)CC[N@@H+](C)Cc1c(F)ccc(C#N)c1F ZINC001143174744 937129252 /nfs/dbraw/zinc/12/92/52/937129252.db2.gz WUPWDAHILOUISN-UHFFFAOYSA-N 1 2 281.306 1.747 20 30 CDEDLO Cc1nc(NCC2(NC(=O)[C@@H](C)C#N)CCCC2)cc[nH+]1 ZINC001103418256 937140649 /nfs/dbraw/zinc/14/06/49/937140649.db2.gz ZHIVTJJXYMYYDG-NSHDSACASA-N 1 2 287.367 1.786 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCn2cccc2)C1 ZINC001108302011 927372456 /nfs/dbraw/zinc/37/24/56/927372456.db2.gz BRNVHUTXDQKTRA-MRXNPFEDSA-N 1 2 291.395 1.271 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCn2cccc2)C1 ZINC001108302011 927372469 /nfs/dbraw/zinc/37/24/69/927372469.db2.gz BRNVHUTXDQKTRA-MRXNPFEDSA-N 1 2 291.395 1.271 20 30 CDEDLO COc1c(C)c[nH+]c(CNS(=O)(=O)CCCC#N)c1C ZINC000111335433 928021876 /nfs/dbraw/zinc/02/18/76/928021876.db2.gz GAKUZTDWQGWFNT-UHFFFAOYSA-N 1 2 297.380 1.430 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1cccc(Cl)n1 ZINC001156320927 928046634 /nfs/dbraw/zinc/04/66/34/928046634.db2.gz IMLMQDIPQIUDNK-QMMMGPOBSA-N 1 2 272.686 1.582 20 30 CDEDLO C[N@@H+]1CCOC[C@@H]1CNc1ncc(C#N)c2ccccc21 ZINC001169651531 928285895 /nfs/dbraw/zinc/28/58/95/928285895.db2.gz QSHWXLVRTNJNCA-ZDUSSCGKSA-N 1 2 282.347 1.849 20 30 CDEDLO C[N@H+]1CCOC[C@@H]1CNc1ncc(C#N)c2ccccc21 ZINC001169651531 928285907 /nfs/dbraw/zinc/28/59/07/928285907.db2.gz QSHWXLVRTNJNCA-ZDUSSCGKSA-N 1 2 282.347 1.849 20 30 CDEDLO C=CCOC[C@@H](O)CNc1ccc([NH+](C)C)cc1 ZINC001252453768 928406077 /nfs/dbraw/zinc/40/60/77/928406077.db2.gz WTJFKZVFVWMBLR-AWEZNQCLSA-N 1 2 250.342 1.728 20 30 CDEDLO C#CCCN(CCOC)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000856391624 928589628 /nfs/dbraw/zinc/58/96/28/928589628.db2.gz XEUYTQTXTZFKNP-LBPRGKRZSA-N 1 2 263.341 1.087 20 30 CDEDLO C#CCCN(CCOC)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000856391624 928589631 /nfs/dbraw/zinc/58/96/31/928589631.db2.gz XEUYTQTXTZFKNP-LBPRGKRZSA-N 1 2 263.341 1.087 20 30 CDEDLO C=CCOC[C@H](O)C[NH2+]C1(c2ccccc2F)COC1 ZINC001252487774 928675670 /nfs/dbraw/zinc/67/56/70/928675670.db2.gz ZOPBJDSOPLAGOJ-GFCCVEGCSA-N 1 2 281.327 1.204 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccns1 ZINC001109087763 928782395 /nfs/dbraw/zinc/78/23/95/928782395.db2.gz AWLXCUGLZHMBCB-AAXDQBDMSA-N 1 2 290.392 1.524 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccns1 ZINC001109087763 928782402 /nfs/dbraw/zinc/78/24/02/928782402.db2.gz AWLXCUGLZHMBCB-AAXDQBDMSA-N 1 2 290.392 1.524 20 30 CDEDLO Cc1nc(NC[C@H](NC(=O)[C@H](C)C#N)C2CC2)cc[nH+]1 ZINC001109795261 929052169 /nfs/dbraw/zinc/05/21/69/929052169.db2.gz ANPCNHNQRARALB-SKDRFNHKSA-N 1 2 273.340 1.251 20 30 CDEDLO C=C1CC(C)(C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)C1 ZINC001151968791 937323044 /nfs/dbraw/zinc/32/30/44/937323044.db2.gz CTJCUUJNFVBJLG-ZDUSSCGKSA-N 1 2 292.379 1.239 20 30 CDEDLO N#CCCN1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001151969912 937323422 /nfs/dbraw/zinc/32/34/22/937323422.db2.gz GQBKIXYASFXYMV-UHFFFAOYSA-N 1 2 283.335 1.234 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](OCC)C(C)C)CC1 ZINC001112839645 929485441 /nfs/dbraw/zinc/48/54/41/929485441.db2.gz QCJISVFAQPVKEW-OAHLLOKOSA-N 1 2 298.427 1.394 20 30 CDEDLO CCN(CCO)[NH+]=Cc1cc(F)c(N(C)C)cc1F ZINC000863122861 929507866 /nfs/dbraw/zinc/50/78/66/929507866.db2.gz OJDRQYQBTDLFDU-UHFFFAOYSA-N 1 2 271.311 1.679 20 30 CDEDLO N#C[C@H]1CCCN(C(=O)c2c[nH]c3cc[nH+]cc23)C1 ZINC001152976442 937404360 /nfs/dbraw/zinc/40/43/60/937404360.db2.gz OWOLZFBCZRPPNZ-SNVBAGLBSA-N 1 2 254.293 1.939 20 30 CDEDLO N#C[C@@H]1CCCN(C(=O)c2c[nH]c3cc[nH+]cc23)C1 ZINC001152976441 937404489 /nfs/dbraw/zinc/40/44/89/937404489.db2.gz OWOLZFBCZRPPNZ-JTQLQIEISA-N 1 2 254.293 1.939 20 30 CDEDLO C#C[C@@H](C)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883771010 930266067 /nfs/dbraw/zinc/26/60/67/930266067.db2.gz ISCKQNBOPLDCGH-UKRRQHHQSA-N 1 2 282.347 1.945 20 30 CDEDLO COCCCCCO[NH+]=C(N)Cc1cccnc1 ZINC000137642468 930859768 /nfs/dbraw/zinc/85/97/68/930859768.db2.gz NDYSOXSVNWVCME-UHFFFAOYSA-N 1 2 251.330 1.730 20 30 CDEDLO C#C[C@H](CC)NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000821567166 931066921 /nfs/dbraw/zinc/06/69/21/931066921.db2.gz HGCOCATURIRCSG-CYBMUJFWSA-N 1 2 287.367 1.028 20 30 CDEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cnc(N(C)C)nc2)cc1 ZINC001170985351 931148554 /nfs/dbraw/zinc/14/85/54/931148554.db2.gz RDSMBQGYSBPELC-UHFFFAOYSA-N 1 2 299.334 1.366 20 30 CDEDLO Cc1cn(C(C)(C)C(=O)NCc2nc(C#N)cs2)c[nH+]1 ZINC000887976869 931267962 /nfs/dbraw/zinc/26/79/62/931267962.db2.gz WMBALZWMFXZRLG-UHFFFAOYSA-N 1 2 289.364 1.571 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC001090667173 931284999 /nfs/dbraw/zinc/28/49/99/931284999.db2.gz YCAHLHLBGYULSK-DGCLKSJQSA-N 1 2 274.368 1.692 20 30 CDEDLO N#CCCCN1CC[C@]2(CCN(c3cccc[nH+]3)C2)C1=O ZINC001274740546 931564693 /nfs/dbraw/zinc/56/46/93/931564693.db2.gz XHEKJSANBPQZIT-MRXNPFEDSA-N 1 2 284.363 1.814 20 30 CDEDLO C#CC(=O)N1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001143907573 931581449 /nfs/dbraw/zinc/58/14/49/931581449.db2.gz VFMNNMFUCZDOEH-UHFFFAOYSA-N 1 2 288.347 1.106 20 30 CDEDLO C#CC(=O)N1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001143907573 931581450 /nfs/dbraw/zinc/58/14/50/931581450.db2.gz VFMNNMFUCZDOEH-UHFFFAOYSA-N 1 2 288.347 1.106 20 30 CDEDLO C[C@@H](C#N)N(C)C(=O)c1nc2c(s1)C[N@H+](C)CC2 ZINC001154219518 937518529 /nfs/dbraw/zinc/51/85/29/937518529.db2.gz YUNXHGSLBMCSPK-QMMMGPOBSA-N 1 2 264.354 1.115 20 30 CDEDLO C[C@@H](C#N)N(C)C(=O)c1nc2c(s1)C[N@@H+](C)CC2 ZINC001154219518 937518530 /nfs/dbraw/zinc/51/85/30/937518530.db2.gz YUNXHGSLBMCSPK-QMMMGPOBSA-N 1 2 264.354 1.115 20 30 CDEDLO COC(=O)c1c[nH]c2nc[nH+]c(NC3=CC(=O)CCC3)c12 ZINC001155710076 937667946 /nfs/dbraw/zinc/66/79/46/937667946.db2.gz MZDIXZWAUQHHII-UHFFFAOYSA-N 1 2 286.291 1.793 20 30 CDEDLO C[NH+](C)[C@H](CNS(=O)(=O)CC(C)(C)C#N)c1ccco1 ZINC000777816654 933263611 /nfs/dbraw/zinc/26/36/11/933263611.db2.gz ZMQJCTYRHPRUHS-LLVKDONJSA-N 1 2 299.396 1.351 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000931845204 933631074 /nfs/dbraw/zinc/63/10/74/933631074.db2.gz AJHPDOCIBDKGJU-CYBMUJFWSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000931845204 933631079 /nfs/dbraw/zinc/63/10/79/933631079.db2.gz AJHPDOCIBDKGJU-CYBMUJFWSA-N 1 2 268.401 1.816 20 30 CDEDLO N#C[C@@]1(F)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000935571719 934098548 /nfs/dbraw/zinc/09/85/48/934098548.db2.gz NOCDRPDJYOVIKR-ZDUSSCGKSA-N 1 2 258.256 1.641 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1ccc(C(=O)OC)cc1 ZINC000688561040 934643760 /nfs/dbraw/zinc/64/37/60/934643760.db2.gz RHBRQUPXCFEPIR-UHFFFAOYSA-N 1 2 255.317 1.932 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(C(=O)OC)cc1 ZINC000688561040 934643763 /nfs/dbraw/zinc/64/37/63/934643763.db2.gz RHBRQUPXCFEPIR-UHFFFAOYSA-N 1 2 255.317 1.932 20 30 CDEDLO Cc1nn(-c2ccccc2)c(C)c1C=NNC1=[NH+]C[C@H](C)N1 ZINC000779791852 934708481 /nfs/dbraw/zinc/70/84/81/934708481.db2.gz LSXJANHVRCLDTL-NSHDSACASA-N 1 2 296.378 1.760 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cncnc2)C1 ZINC001007237951 934748287 /nfs/dbraw/zinc/74/82/87/934748287.db2.gz UYBZGDDMEUYLOX-CYBMUJFWSA-N 1 2 294.786 1.352 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cncnc2)C1 ZINC001007237951 934748290 /nfs/dbraw/zinc/74/82/90/934748290.db2.gz UYBZGDDMEUYLOX-CYBMUJFWSA-N 1 2 294.786 1.352 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2=CCOCC2)C1 ZINC001007177847 935376763 /nfs/dbraw/zinc/37/67/63/935376763.db2.gz OVLJURLGCNFJOB-ZDUSSCGKSA-N 1 2 284.787 1.666 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2=CCOCC2)C1 ZINC001007177847 935376769 /nfs/dbraw/zinc/37/67/69/935376769.db2.gz OVLJURLGCNFJOB-ZDUSSCGKSA-N 1 2 284.787 1.666 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(COC)cs2)C1 ZINC001015134561 935559068 /nfs/dbraw/zinc/55/90/68/935559068.db2.gz ZHLITYUONIQZDL-GFCCVEGCSA-N 1 2 278.377 1.332 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(COC)cs2)C1 ZINC001015134561 935559073 /nfs/dbraw/zinc/55/90/73/935559073.db2.gz ZHLITYUONIQZDL-GFCCVEGCSA-N 1 2 278.377 1.332 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cc(COC)cs2)C1 ZINC001015134563 935559812 /nfs/dbraw/zinc/55/98/12/935559812.db2.gz ZHLITYUONIQZDL-LBPRGKRZSA-N 1 2 278.377 1.332 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(COC)cs2)C1 ZINC001015134563 935559813 /nfs/dbraw/zinc/55/98/13/935559813.db2.gz ZHLITYUONIQZDL-LBPRGKRZSA-N 1 2 278.377 1.332 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C)CCOCC2)C1 ZINC001015848489 935590333 /nfs/dbraw/zinc/59/03/33/935590333.db2.gz ZVQGBJGMZXCLMC-LBPRGKRZSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C)CCOCC2)C1 ZINC001015848489 935590335 /nfs/dbraw/zinc/59/03/35/935590335.db2.gz ZVQGBJGMZXCLMC-LBPRGKRZSA-N 1 2 286.803 1.746 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cnc(C(C)C)s2)C1 ZINC001016443038 935613982 /nfs/dbraw/zinc/61/39/82/935613982.db2.gz IWYRHLCNHIKTIW-NSHDSACASA-N 1 2 277.393 1.704 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnc(C(C)C)s2)C1 ZINC001016443038 935613984 /nfs/dbraw/zinc/61/39/84/935613984.db2.gz IWYRHLCNHIKTIW-NSHDSACASA-N 1 2 277.393 1.704 20 30 CDEDLO CCN(C(=O)Nc1cccc(C#N)c1)C1C[NH+](C)C1 ZINC001202788464 935642697 /nfs/dbraw/zinc/64/26/97/935642697.db2.gz QNTKZLBHENETCE-UHFFFAOYSA-N 1 2 258.325 1.726 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC12CC2 ZINC001017657247 935646004 /nfs/dbraw/zinc/64/60/04/935646004.db2.gz BAMQWXYFNLVJPZ-QLFBSQMISA-N 1 2 272.392 1.875 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC12CC2 ZINC001017657247 935646006 /nfs/dbraw/zinc/64/60/06/935646006.db2.gz BAMQWXYFNLVJPZ-QLFBSQMISA-N 1 2 272.392 1.875 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H]1CC ZINC001017754517 935648343 /nfs/dbraw/zinc/64/83/43/935648343.db2.gz DMHDHPGWPHOKFI-BARDWOONSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H]1CC ZINC001017754517 935648344 /nfs/dbraw/zinc/64/83/44/935648344.db2.gz DMHDHPGWPHOKFI-BARDWOONSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[C@H]1CCCO1 ZINC001017917907 935655245 /nfs/dbraw/zinc/65/52/45/935655245.db2.gz WLRUIUBQGXLTLL-BYNSBNAKSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[C@H]1CCCO1 ZINC001017917907 935655247 /nfs/dbraw/zinc/65/52/47/935655247.db2.gz WLRUIUBQGXLTLL-BYNSBNAKSA-N 1 2 276.380 1.110 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)ccn1C ZINC001038195262 935737514 /nfs/dbraw/zinc/73/75/14/935737514.db2.gz GGYDWFVOZZVITH-ZDUSSCGKSA-N 1 2 259.353 1.161 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)ccn1C ZINC001038195262 935737516 /nfs/dbraw/zinc/73/75/16/935737516.db2.gz GGYDWFVOZZVITH-ZDUSSCGKSA-N 1 2 259.353 1.161 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2n[nH]cc21 ZINC001038577539 935749235 /nfs/dbraw/zinc/74/92/35/935749235.db2.gz ZLKMXINSYXFAJR-LLVKDONJSA-N 1 2 268.320 1.000 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2n[nH]cc21 ZINC001038577539 935749237 /nfs/dbraw/zinc/74/92/37/935749237.db2.gz ZLKMXINSYXFAJR-LLVKDONJSA-N 1 2 268.320 1.000 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncoc1[C@@H]1CCCO1 ZINC001038598316 935750668 /nfs/dbraw/zinc/75/06/68/935750668.db2.gz 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/nfs/dbraw/zinc/76/73/93/935767393.db2.gz WCWOVVZWFZJECV-AWEZNQCLSA-N 1 2 268.360 1.613 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2c1CCC2 ZINC001039068190 935767395 /nfs/dbraw/zinc/76/73/95/935767395.db2.gz WCWOVVZWFZJECV-AWEZNQCLSA-N 1 2 268.360 1.613 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)ccc1Cl ZINC001238188971 945126087 /nfs/dbraw/zinc/12/60/87/945126087.db2.gz LDUGQYKFBHRMDP-AWEZNQCLSA-N 1 2 291.782 1.728 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCN3CCOC[C@@H]3C2)ccc1Cl ZINC001238188971 945126091 /nfs/dbraw/zinc/12/60/91/945126091.db2.gz LDUGQYKFBHRMDP-AWEZNQCLSA-N 1 2 291.782 1.728 20 30 CDEDLO C=C(C)CC[NH+]1CC(N(C)C(=O)c2snnc2C)C1 ZINC001042467221 935821897 /nfs/dbraw/zinc/82/18/97/935821897.db2.gz CLHZNNPGZHJWQW-UHFFFAOYSA-N 1 2 280.397 1.569 20 30 CDEDLO C=C(C)CC[NH+]1CC(N(C)C(=O)c2cc(OC)ns2)C1 ZINC001042743624 935828305 /nfs/dbraw/zinc/82/83/05/935828305.db2.gz YEQXQQLJBVSTFE-UHFFFAOYSA-N 1 2 295.408 1.874 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2c3c[nH]nc3CC[C@@H]2C)C1 ZINC001043387022 935837292 /nfs/dbraw/zinc/83/72/92/935837292.db2.gz UTQZMGPUIBWTMH-XHDPSFHLSA-N 1 2 288.395 1.404 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccnc(OCC)c2)C1 ZINC001043821387 935845500 /nfs/dbraw/zinc/84/55/00/935845500.db2.gz GECFFVLPGNXJPX-UHFFFAOYSA-N 1 2 289.379 1.813 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(C)nc2C)C1 ZINC001044325746 935857422 /nfs/dbraw/zinc/85/74/22/935857422.db2.gz HWZOKCWFTCHOGU-UHFFFAOYSA-N 1 2 271.364 1.478 20 30 CDEDLO N#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001095994818 935869021 /nfs/dbraw/zinc/86/90/21/935869021.db2.gz RAHRWNVPDNJFAK-XWUBHJNHSA-N 1 2 299.378 1.075 20 30 CDEDLO Cc1nc(N2CCC[C@H](NC(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001096153102 935988318 /nfs/dbraw/zinc/98/83/18/935988318.db2.gz VPYHFEJCWFZGTE-PWSUYJOCSA-N 1 2 273.340 1.030 20 30 CDEDLO C[C@H](C#N)OCC[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000801912135 936014988 /nfs/dbraw/zinc/01/49/88/936014988.db2.gz IKBWIYXMTXUVND-LLVKDONJSA-N 1 2 286.335 1.696 20 30 CDEDLO C[C@H](C#N)OCC[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000801912135 936014990 /nfs/dbraw/zinc/01/49/90/936014990.db2.gz IKBWIYXMTXUVND-LLVKDONJSA-N 1 2 286.335 1.696 20 30 CDEDLO Cc1nc(N2CC[C@H](NC(=O)[C@H](C)C#N)C2)c(C)c(C)[nH+]1 ZINC001096339356 936047039 /nfs/dbraw/zinc/04/70/39/936047039.db2.gz QZLKKTYVZCTWJM-RNCFNFMXSA-N 1 2 287.367 1.256 20 30 CDEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3[nH]nnc3c1)C2 ZINC001096526065 936146697 /nfs/dbraw/zinc/14/66/97/936146697.db2.gz SZYTUIFWZNHCRF-UGFHNGPFSA-N 1 2 297.362 1.479 20 30 CDEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3[nH]nnc3c1)C2 ZINC001096526065 936146700 /nfs/dbraw/zinc/14/67/00/936146700.db2.gz SZYTUIFWZNHCRF-UGFHNGPFSA-N 1 2 297.362 1.479 20 30 CDEDLO C=CCOCC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001096925727 936238924 /nfs/dbraw/zinc/23/89/24/936238924.db2.gz BRSCVHSNBFJZET-LBPRGKRZSA-N 1 2 276.340 1.000 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(C#N)cn1 ZINC000780157274 936247078 /nfs/dbraw/zinc/24/70/78/936247078.db2.gz YADIWHXPSXQNQH-LLVKDONJSA-N 1 2 284.323 1.038 20 30 CDEDLO Cc1noc(NC(=O)c2ccc3[nH+]c(N)[nH]c3c2)c1C#N ZINC001156965208 938439278 /nfs/dbraw/zinc/43/92/78/938439278.db2.gz WSYNOLQQZBSVHN-UHFFFAOYSA-N 1 2 282.263 1.566 20 30 CDEDLO N#CCc1cc[nH+]c(NCCc2cc(O)c(O)cc2O)c1 ZINC001157245522 938469132 /nfs/dbraw/zinc/46/91/32/938469132.db2.gz FMICPTPCOUTMON-UHFFFAOYSA-N 1 2 285.303 1.919 20 30 CDEDLO N#Cc1ccnc(NCC2([NH+]3CCCC3)COC2)c1F ZINC001157655835 938528313 /nfs/dbraw/zinc/52/83/13/938528313.db2.gz SVUQJGVCYBLILW-UHFFFAOYSA-N 1 2 276.315 1.369 20 30 CDEDLO O=C(C#CC1CC1)NCCC[NH2+]Cc1nnsc1Cl ZINC001157705236 938534569 /nfs/dbraw/zinc/53/45/69/938534569.db2.gz RXHORXMGHANKBR-UHFFFAOYSA-N 1 2 298.799 1.201 20 30 CDEDLO COCCOC1CN(c2[nH+]ccc3[nH]cc(C#N)c32)C1 ZINC001158974365 938683802 /nfs/dbraw/zinc/68/38/02/938683802.db2.gz POMCNOWXYXCKAA-UHFFFAOYSA-N 1 2 272.308 1.286 20 30 CDEDLO N#CCc1cc[nH+]c(NC2CN(c3ncccn3)C2)c1 ZINC001159120900 938704182 /nfs/dbraw/zinc/70/41/82/938704182.db2.gz YOPHJIIZFFMTGB-UHFFFAOYSA-N 1 2 266.308 1.238 20 30 CDEDLO Cc1ncc(C#N)c(NCc2c[nH+]cn2CC2CCC2)n1 ZINC001161531026 938908821 /nfs/dbraw/zinc/90/88/21/938908821.db2.gz DWNJPFQITGUBRN-UHFFFAOYSA-N 1 2 282.351 1.687 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c(F)cc(C)cc2OC)CC1 ZINC001238596165 945215017 /nfs/dbraw/zinc/21/50/17/945215017.db2.gz SDKOLAJERPAMLY-UHFFFAOYSA-N 1 2 276.355 1.894 20 30 CDEDLO COc1nc(C)nc(NCCCn2cc[nH+]c2)c1C#N ZINC001161682616 938920086 /nfs/dbraw/zinc/92/00/86/938920086.db2.gz SUEAIYLZHIOZPI-UHFFFAOYSA-N 1 2 272.312 1.364 20 30 CDEDLO Cc1cc(N2CC[NH2+]C[C@H]2C#N)nc2ccc([N+](=O)[O-])cc12 ZINC001164641099 939500916 /nfs/dbraw/zinc/50/09/16/939500916.db2.gz FYDDUPLMXFIXBA-GFCCVEGCSA-N 1 2 297.318 1.753 20 30 CDEDLO Cc1cc(N2CC[NH2+]C[C@H]2C#N)nc(-c2ccsc2)n1 ZINC001164661523 939502757 /nfs/dbraw/zinc/50/27/57/939502757.db2.gz MNLYQOIFGYTEBC-GFCCVEGCSA-N 1 2 285.376 1.815 20 30 CDEDLO CC(C)(c1ccnc(Cl)c1)N1CC[NH2+]C[C@H]1C#N ZINC001164675848 939503488 /nfs/dbraw/zinc/50/34/88/939503488.db2.gz UVJBNYVGBYHTFN-LLVKDONJSA-N 1 2 264.760 1.767 20 30 CDEDLO N#CCNCC1(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001165750209 939576083 /nfs/dbraw/zinc/57/60/83/939576083.db2.gz RABDGXCDJIKQEP-UHFFFAOYSA-N 1 2 297.362 1.576 20 30 CDEDLO Cc1[nH+]c(N2CCC(=O)C(F)(F)C2)ccc1CC#N ZINC001166976031 939665334 /nfs/dbraw/zinc/66/53/34/939665334.db2.gz ZWUCVCZDCGRHPK-UHFFFAOYSA-N 1 2 265.263 1.871 20 30 CDEDLO C[C@H]1C(=O)N(C)CCN1c1[nH+]ccc2ccc(C#N)cc21 ZINC001167035810 939674673 /nfs/dbraw/zinc/67/46/73/939674673.db2.gz IQCXCMZRESUJEV-NSHDSACASA-N 1 2 280.331 1.773 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(OC)c(C)c2)CC1 ZINC001203898551 939712482 /nfs/dbraw/zinc/71/24/82/939712482.db2.gz CQTLCLNJLXZCRW-UHFFFAOYSA-N 1 2 258.365 1.754 20 30 CDEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccoc2)CC1 ZINC001204243665 939746420 /nfs/dbraw/zinc/74/64/20/939746420.db2.gz DKQAOXVTPCRLLP-UHFFFAOYSA-N 1 2 262.309 1.948 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ncccn2)C[C@H]1C ZINC001206536923 940056761 /nfs/dbraw/zinc/05/67/61/940056761.db2.gz FMGJVWRCPUXJAP-HZSPNIEDSA-N 1 2 288.395 1.940 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ncccn2)C[C@H]1C ZINC001206536923 940056764 /nfs/dbraw/zinc/05/67/64/940056764.db2.gz FMGJVWRCPUXJAP-HZSPNIEDSA-N 1 2 288.395 1.940 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nnc(C)o2)C[C@H]1C ZINC001206545593 940058168 /nfs/dbraw/zinc/05/81/68/940058168.db2.gz XDOZMLXGEJAVLK-NTZNESFSSA-N 1 2 292.383 1.842 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nnc(C)o2)C[C@H]1C ZINC001206545593 940058170 /nfs/dbraw/zinc/05/81/70/940058170.db2.gz XDOZMLXGEJAVLK-NTZNESFSSA-N 1 2 292.383 1.842 20 30 CDEDLO N#Cc1ncc(-c2ccc(C[NH+]3CCOCC3)cn2)cc1F ZINC001238978142 945294314 /nfs/dbraw/zinc/29/43/14/945294314.db2.gz AHVSKDAYPOTIJE-UHFFFAOYSA-N 1 2 298.321 1.987 20 30 CDEDLO Cn1cc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)cc1C#N ZINC001207104677 940149845 /nfs/dbraw/zinc/14/98/45/940149845.db2.gz VPOAGZOHCBQADK-CYBMUJFWSA-N 1 2 273.361 1.671 20 30 CDEDLO Cn1cc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)cc1C#N ZINC001207104677 940149847 /nfs/dbraw/zinc/14/98/47/940149847.db2.gz VPOAGZOHCBQADK-CYBMUJFWSA-N 1 2 273.361 1.671 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001208452494 940332048 /nfs/dbraw/zinc/33/20/48/940332048.db2.gz NWTFVOBOJNBAIJ-UKRRQHHQSA-N 1 2 290.411 1.713 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001208452494 940332053 /nfs/dbraw/zinc/33/20/53/940332053.db2.gz NWTFVOBOJNBAIJ-UKRRQHHQSA-N 1 2 290.411 1.713 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c(F)cccc2F)CC1 ZINC000182664939 940880226 /nfs/dbraw/zinc/88/02/26/940880226.db2.gz VMQOHENXUYIMBC-UHFFFAOYSA-N 1 2 250.292 1.716 20 30 CDEDLO C#CCCCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H](F)CC)C[C@@H]21 ZINC001217757815 941018448 /nfs/dbraw/zinc/01/84/48/941018448.db2.gz ATXZZHIQJXUILO-QLFBSQMISA-N 1 2 296.386 1.450 20 30 CDEDLO C#CCCCC(=O)N1CCO[C@@H]2C[N@H+](C[C@H](F)CC)C[C@@H]21 ZINC001217757815 941018450 /nfs/dbraw/zinc/01/84/50/941018450.db2.gz ATXZZHIQJXUILO-QLFBSQMISA-N 1 2 296.386 1.450 20 30 CDEDLO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1[nH]c(=O)nc2cccnc21 ZINC001218451161 941219649 /nfs/dbraw/zinc/21/96/49/941219649.db2.gz AVEDHIKYNWHVEB-ZYHUDNBSSA-N 1 2 286.335 1.806 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)CCC)[C@H]2C1 ZINC001218872155 941282210 /nfs/dbraw/zinc/28/22/10/941282210.db2.gz HHYZHVYXNPSIJM-QLFBSQMISA-N 1 2 278.396 1.358 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)CCC)[C@H]2C1 ZINC001218872155 941282213 /nfs/dbraw/zinc/28/22/13/941282213.db2.gz HHYZHVYXNPSIJM-QLFBSQMISA-N 1 2 278.396 1.358 20 30 CDEDLO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccn1 ZINC001473504255 970806853 /nfs/dbraw/zinc/80/68/53/970806853.db2.gz YOWRYWUUVXHKDB-UHFFFAOYSA-N 1 2 294.358 1.701 20 30 CDEDLO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccn1 ZINC001473504255 970806863 /nfs/dbraw/zinc/80/68/63/970806863.db2.gz YOWRYWUUVXHKDB-UHFFFAOYSA-N 1 2 294.358 1.701 20 30 CDEDLO CC[N@@H+]1CCCC[C@H]1C(=O)[C@H](C#N)c1nccn1C ZINC001524256278 970831012 /nfs/dbraw/zinc/83/10/12/970831012.db2.gz JJJCYMGFSGRTTR-RYUDHWBXSA-N 1 2 260.341 1.471 20 30 CDEDLO CC[N@H+]1CCCC[C@H]1C(=O)[C@H](C#N)c1nccn1C ZINC001524256278 970831019 /nfs/dbraw/zinc/83/10/19/970831019.db2.gz JJJCYMGFSGRTTR-RYUDHWBXSA-N 1 2 260.341 1.471 20 30 CDEDLO N#Cc1ccccc1N1CC2(CC[N@@H+]2Cc2cn[nH]c2)C1 ZINC001276953047 941727203 /nfs/dbraw/zinc/72/72/03/941727203.db2.gz GAYBISAYBGNGRL-UHFFFAOYSA-N 1 2 279.347 1.746 20 30 CDEDLO N#Cc1ccccc1N1CC2(CC[N@H+]2Cc2cn[nH]c2)C1 ZINC001276953047 941727205 /nfs/dbraw/zinc/72/72/05/941727205.db2.gz GAYBISAYBGNGRL-UHFFFAOYSA-N 1 2 279.347 1.746 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](OCCCCCCC#N)C[N@@H+]1C ZINC001224374916 941747974 /nfs/dbraw/zinc/74/79/74/941747974.db2.gz FVOLCRBEOSJCBX-OLZOCXBDSA-N 1 2 268.357 1.723 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](OCCCCCCC#N)C[N@H+]1C ZINC001224374916 941747976 /nfs/dbraw/zinc/74/79/76/941747976.db2.gz FVOLCRBEOSJCBX-OLZOCXBDSA-N 1 2 268.357 1.723 20 30 CDEDLO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)n2nccc2n1 ZINC001225470864 941865182 /nfs/dbraw/zinc/86/51/82/941865182.db2.gz PDTLXVXVFNZUBU-RBRDRRMGSA-N 1 2 286.335 1.029 20 30 CDEDLO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)n2nccc2n1 ZINC001225470864 941865185 /nfs/dbraw/zinc/86/51/85/941865185.db2.gz PDTLXVXVFNZUBU-RBRDRRMGSA-N 1 2 286.335 1.029 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc([N+](=O)[O-])cc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225942026 941931969 /nfs/dbraw/zinc/93/19/69/941931969.db2.gz LZZCHDPRBUNGDK-LSVRBPJHSA-N 1 2 294.282 1.725 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc([N+](=O)[O-])cc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225942026 941931972 /nfs/dbraw/zinc/93/19/72/941931972.db2.gz LZZCHDPRBUNGDK-LSVRBPJHSA-N 1 2 294.282 1.725 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncnc4ccsc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226623806 942036707 /nfs/dbraw/zinc/03/67/07/942036707.db2.gz QDYXPBKNENYWRG-ZQLNZSQWSA-N 1 2 289.360 1.683 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncnc4ccsc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226623806 942036709 /nfs/dbraw/zinc/03/67/09/942036709.db2.gz QDYXPBKNENYWRG-ZQLNZSQWSA-N 1 2 289.360 1.683 20 30 CDEDLO Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)o1 ZINC001226640063 942039887 /nfs/dbraw/zinc/03/98/87/942039887.db2.gz KQUAZSIWFFMCNM-UWVGGRQHSA-N 1 2 291.355 1.179 20 30 CDEDLO Cc1cc(C[NH+]2CCC(NC(=O)C#CC(C)C)CC2)no1 ZINC001227233156 942154163 /nfs/dbraw/zinc/15/41/63/942154163.db2.gz PWRVZXNKJMAURH-UHFFFAOYSA-N 1 2 289.379 1.723 20 30 CDEDLO Cc1cccn2cc(CC(=O)Nc3c[nH]nc3C#N)[nH+]c12 ZINC001280491192 942452102 /nfs/dbraw/zinc/45/21/02/942452102.db2.gz UTJKYHLQRKLSFQ-UHFFFAOYSA-N 1 2 280.291 1.419 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1 ZINC001230621678 942659271 /nfs/dbraw/zinc/65/92/71/942659271.db2.gz QOKDUXFOLOTIJR-INIZCTEOSA-N 1 2 286.375 1.483 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1 ZINC001230621678 942659265 /nfs/dbraw/zinc/65/92/65/942659265.db2.gz QOKDUXFOLOTIJR-INIZCTEOSA-N 1 2 286.375 1.483 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC(C)(C)C ZINC001230782361 942693826 /nfs/dbraw/zinc/69/38/26/942693826.db2.gz VJXMASMAQICYEP-ZDUSSCGKSA-N 1 2 295.427 1.258 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC(C)(C)C ZINC001230782361 942693830 /nfs/dbraw/zinc/69/38/30/942693830.db2.gz VJXMASMAQICYEP-ZDUSSCGKSA-N 1 2 295.427 1.258 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cccnc1 ZINC001231249119 942833472 /nfs/dbraw/zinc/83/34/72/942833472.db2.gz YUKSISIMFAXJQE-JSGCOSHPSA-N 1 2 272.352 1.274 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cccnc1 ZINC001231249119 942833476 /nfs/dbraw/zinc/83/34/76/942833476.db2.gz YUKSISIMFAXJQE-JSGCOSHPSA-N 1 2 272.352 1.274 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC3CC2(C(=O)N2CCCC2)C3)n1 ZINC001232924157 943434632 /nfs/dbraw/zinc/43/46/32/943434632.db2.gz RTBZBGRNVSHKDK-UHFFFAOYSA-N 1 2 296.374 1.540 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC3CC2(C(=O)N2CCCC2)C3)n1 ZINC001232924157 943434634 /nfs/dbraw/zinc/43/46/34/943434634.db2.gz RTBZBGRNVSHKDK-UHFFFAOYSA-N 1 2 296.374 1.540 20 30 CDEDLO Cc1noc([C@H]2CC[N@H+](Cc3[nH]ccc3C#N)C2)n1 ZINC001233047656 943474388 /nfs/dbraw/zinc/47/43/88/943474388.db2.gz HKKDUEKOPYMLGK-NSHDSACASA-N 1 2 257.297 1.567 20 30 CDEDLO Cc1noc([C@H]2CC[N@@H+](Cc3[nH]ccc3C#N)C2)n1 ZINC001233047656 943474392 /nfs/dbraw/zinc/47/43/92/943474392.db2.gz HKKDUEKOPYMLGK-NSHDSACASA-N 1 2 257.297 1.567 20 30 CDEDLO N#Cc1cc[nH]c1C[N@@H+]1CCCN(c2cccnc2)CC1 ZINC001233049016 943476345 /nfs/dbraw/zinc/47/63/45/943476345.db2.gz UOIKMFYAANZVRY-UHFFFAOYSA-N 1 2 281.363 1.994 20 30 CDEDLO N#Cc1cc[nH]c1C[N@H+]1CCCN(c2cccnc2)CC1 ZINC001233049016 943476349 /nfs/dbraw/zinc/47/63/49/943476349.db2.gz UOIKMFYAANZVRY-UHFFFAOYSA-N 1 2 281.363 1.994 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(F)c(F)cc2N)CC1 ZINC001233381572 943567975 /nfs/dbraw/zinc/56/79/75/943567975.db2.gz KDECMERYGJAIBD-UHFFFAOYSA-N 1 2 265.307 1.298 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)/C(C)=C\C ZINC001233571435 943619190 /nfs/dbraw/zinc/61/91/90/943619190.db2.gz VECVHTWDNQUXDB-OBFMZJQYSA-N 1 2 293.411 1.176 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)/C(C)=C\C ZINC001233571435 943619194 /nfs/dbraw/zinc/61/91/94/943619194.db2.gz VECVHTWDNQUXDB-OBFMZJQYSA-N 1 2 293.411 1.176 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(c2ccccn2)CC1 ZINC001234314165 943799518 /nfs/dbraw/zinc/79/95/18/943799518.db2.gz SENHFWWKUQOSIM-CQSZACIVSA-N 1 2 283.375 1.279 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(c2ccccn2)CC1 ZINC001234314165 943799523 /nfs/dbraw/zinc/79/95/23/943799523.db2.gz SENHFWWKUQOSIM-CQSZACIVSA-N 1 2 283.375 1.279 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NCC ZINC001234536793 943882090 /nfs/dbraw/zinc/88/20/90/943882090.db2.gz HFOWDNPQLVHCJA-CYBMUJFWSA-N 1 2 295.427 1.258 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NCC ZINC001234536793 943882098 /nfs/dbraw/zinc/88/20/98/943882098.db2.gz HFOWDNPQLVHCJA-CYBMUJFWSA-N 1 2 295.427 1.258 20 30 CDEDLO CC(=O)N(C)C1C[NH+](Cc2ccccc2CC#N)C1 ZINC001235522270 944182757 /nfs/dbraw/zinc/18/27/57/944182757.db2.gz BOKJEXHJMWJCID-UHFFFAOYSA-N 1 2 257.337 1.415 20 30 CDEDLO C#CCN1CC[NH+](Cc2c(O)cc(OC)cc2Cl)CC1 ZINC001236804204 944574334 /nfs/dbraw/zinc/57/43/34/944574334.db2.gz SNNFZOIZAYCCQO-UHFFFAOYSA-N 1 2 294.782 1.805 20 30 CDEDLO N#Cc1cc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)ccn1 ZINC001237461970 944795294 /nfs/dbraw/zinc/79/52/94/944795294.db2.gz DAEFLUXOINYJRO-LBPRGKRZSA-N 1 2 260.316 1.181 20 30 CDEDLO N#Cc1cc(CN2CC([N@H+]3CC[C@H](F)C3)C2)ccn1 ZINC001237461970 944795299 /nfs/dbraw/zinc/79/52/99/944795299.db2.gz DAEFLUXOINYJRO-LBPRGKRZSA-N 1 2 260.316 1.181 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1C[C@@H]2COC[C@]2(c2nc(C)no2)C1 ZINC001255170257 947762264 /nfs/dbraw/zinc/76/22/64/947762264.db2.gz PVCBLLIYZBLXEV-MBNYWOFBSA-N 1 2 276.340 1.270 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1C[C@@H]2COC[C@]2(c2nc(C)no2)C1 ZINC001255170257 947762268 /nfs/dbraw/zinc/76/22/68/947762268.db2.gz PVCBLLIYZBLXEV-MBNYWOFBSA-N 1 2 276.340 1.270 20 30 CDEDLO COC(=O)[C@H]([NH3+])Cc1cn(C2CCC(C#N)CC2)cn1 ZINC001256965288 948465445 /nfs/dbraw/zinc/46/54/45/948465445.db2.gz PQLWOTVJHJIHQF-KGPNIALWSA-N 1 2 276.340 1.181 20 30 CDEDLO C#CC[C@H]([NH3+])c1nc(-c2cccc(C(C)=O)c2)no1 ZINC001247610300 948678277 /nfs/dbraw/zinc/67/82/77/948678277.db2.gz XCRRHJMWCOLPTH-LBPRGKRZSA-N 1 2 255.277 1.962 20 30 CDEDLO C#CC[C@@H]([NH3+])c1nc(-c2ccc3c(c2)C(=O)CC3)no1 ZINC001247610363 948678730 /nfs/dbraw/zinc/67/87/30/948678730.db2.gz YZPLMCWTQAHLAH-GFCCVEGCSA-N 1 2 267.288 1.889 20 30 CDEDLO C#CCOC[C@H](O)C[NH2+][C@@H](CC(C)C)C(=O)OC(C)(C)C ZINC001251885549 950915925 /nfs/dbraw/zinc/91/59/25/950915925.db2.gz YDYHYAIOXYLSGI-KGLIPLIRSA-N 1 2 299.411 1.343 20 30 CDEDLO C[N@H+](Cc1cn(C[C@H]2CO2)nn1)Cc1ccccc1 ZINC001254071148 952182553 /nfs/dbraw/zinc/18/25/53/952182553.db2.gz DBZZYPVJRSNPJA-AWEZNQCLSA-N 1 2 258.325 1.309 20 30 CDEDLO C[N@@H+](Cc1cn(C[C@H]2CO2)nn1)Cc1ccccc1 ZINC001254071148 952182560 /nfs/dbraw/zinc/18/25/60/952182560.db2.gz DBZZYPVJRSNPJA-AWEZNQCLSA-N 1 2 258.325 1.309 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](CCc2c(C)noc2C)CC1 ZINC001363786576 953790124 /nfs/dbraw/zinc/79/01/24/953790124.db2.gz HZSBXWDSAZDXBY-UHFFFAOYSA-N 1 2 291.351 1.613 20 30 CDEDLO C#CC[N@@H+](Cc1nc(-c2ccc(OC)nn2)no1)CC1CC1 ZINC001326502668 954410745 /nfs/dbraw/zinc/41/07/45/954410745.db2.gz OPROGNATOVHXGB-UHFFFAOYSA-N 1 2 299.334 1.380 20 30 CDEDLO C#CC[N@H+](Cc1nc(-c2ccc(OC)nn2)no1)CC1CC1 ZINC001326502668 954410750 /nfs/dbraw/zinc/41/07/50/954410750.db2.gz OPROGNATOVHXGB-UHFFFAOYSA-N 1 2 299.334 1.380 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(C#N)n1 ZINC001364396644 954554908 /nfs/dbraw/zinc/55/49/08/954554908.db2.gz BVABXCNVULSFCR-JTQLQIEISA-N 1 2 270.296 1.360 20 30 CDEDLO CN(CCCNc1cc(C#N)ncn1)c1cccc[nH+]1 ZINC001307193760 954676710 /nfs/dbraw/zinc/67/67/10/954676710.db2.gz KHBBWXOERXRWBO-UHFFFAOYSA-N 1 2 268.324 1.682 20 30 CDEDLO C#C[C@H](CO)[NH2+]Cc1cc(C(=O)OC)ccc1Cl ZINC001308884009 956593569 /nfs/dbraw/zinc/59/35/69/956593569.db2.gz XTHBSYQNGGOKCE-LLVKDONJSA-N 1 2 267.712 1.210 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)Cc2cn(C)nc2C)C1 ZINC001366969647 957309798 /nfs/dbraw/zinc/30/97/98/957309798.db2.gz JHTPFOFGVCALRY-UHFFFAOYSA-N 1 2 296.802 1.072 20 30 CDEDLO C=C(Cl)C[NH2+]C1(CNC(=O)Cn2ccnc2C)CC1 ZINC001368033700 958597603 /nfs/dbraw/zinc/59/76/03/958597603.db2.gz LPUQHROCHJIWNC-UHFFFAOYSA-N 1 2 282.775 1.182 20 30 CDEDLO C[N@H+](CCCC1(C#N)CCOCC1)Cc1nnc[nH]1 ZINC001321199959 959651790 /nfs/dbraw/zinc/65/17/90/959651790.db2.gz SPDPTRYEHYAIQR-UHFFFAOYSA-N 1 2 263.345 1.337 20 30 CDEDLO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1nnc[nH]1 ZINC001321199959 959651798 /nfs/dbraw/zinc/65/17/98/959651798.db2.gz SPDPTRYEHYAIQR-UHFFFAOYSA-N 1 2 263.345 1.337 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH2+][C@H]1Cc2ccccc2NC1=O ZINC001336783106 960583033 /nfs/dbraw/zinc/58/30/33/960583033.db2.gz DPEKEHRFTAAEPP-FZMZJTMJSA-N 1 2 268.320 1.583 20 30 CDEDLO Cn1cc(C[NH2+]Cc2c[nH]cn2)c(-c2ccc(C#N)cc2)n1 ZINC001560437010 960948589 /nfs/dbraw/zinc/94/85/89/960948589.db2.gz ZFJCRYGDOVKBDU-UHFFFAOYSA-N 1 2 292.346 1.972 20 30 CDEDLO C=C[C@@H](COC)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC001338311747 961742533 /nfs/dbraw/zinc/74/25/33/961742533.db2.gz LDVNQHSFOLEIFB-WCQYABFASA-N 1 2 299.367 1.835 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1snnc1CC ZINC001420263798 962650489 /nfs/dbraw/zinc/65/04/89/962650489.db2.gz YEBGBZHHQGYYHD-UHFFFAOYSA-N 1 2 288.804 1.515 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1snnc1CC ZINC001420263798 962650501 /nfs/dbraw/zinc/65/05/01/962650501.db2.gz YEBGBZHHQGYYHD-UHFFFAOYSA-N 1 2 288.804 1.515 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnn(C)c1C ZINC001420530637 963017950 /nfs/dbraw/zinc/01/79/50/963017950.db2.gz OUZIZHRTPRZJBJ-SNVBAGLBSA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cnn(C)c1C ZINC001420530637 963017962 /nfs/dbraw/zinc/01/79/62/963017962.db2.gz OUZIZHRTPRZJBJ-SNVBAGLBSA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnn(C)c1 ZINC001420545392 963042266 /nfs/dbraw/zinc/04/22/66/963042266.db2.gz NVZWKTVBGRZFFY-SNVBAGLBSA-N 1 2 270.764 1.223 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cnn(C)c1 ZINC001420545392 963042276 /nfs/dbraw/zinc/04/22/76/963042276.db2.gz NVZWKTVBGRZFFY-SNVBAGLBSA-N 1 2 270.764 1.223 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cn1nccc1C ZINC001439376041 963743328 /nfs/dbraw/zinc/74/33/28/963743328.db2.gz UAYXGMPUYIZGFI-NSHDSACASA-N 1 2 284.791 1.381 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cn1nccc1C ZINC001439376041 963743337 /nfs/dbraw/zinc/74/33/37/963743337.db2.gz UAYXGMPUYIZGFI-NSHDSACASA-N 1 2 284.791 1.381 20 30 CDEDLO C[NH+]1CCN(CCCCNc2c(C#N)cccc2C#N)CC1 ZINC001343783565 964139054 /nfs/dbraw/zinc/13/90/54/964139054.db2.gz OAVAHIJRWBBRFD-UHFFFAOYSA-N 1 2 297.406 1.869 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001347018689 965333429 /nfs/dbraw/zinc/33/34/29/965333429.db2.gz OZSGWVCWLQGHMT-IUODEOHRSA-N 1 2 277.368 1.450 20 30 CDEDLO C=C(Cl)CN1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001443624471 965541625 /nfs/dbraw/zinc/54/16/25/965541625.db2.gz SASKXVWQWCXQOK-LBPRGKRZSA-N 1 2 296.802 1.635 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cn(C)nc1CC ZINC001445759053 966324635 /nfs/dbraw/zinc/32/46/35/966324635.db2.gz VGWHKUYWPZWDGS-LLVKDONJSA-N 1 2 298.818 1.785 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cn(C)nc1CC ZINC001445759053 966324647 /nfs/dbraw/zinc/32/46/47/966324647.db2.gz VGWHKUYWPZWDGS-LLVKDONJSA-N 1 2 298.818 1.785 20 30 CDEDLO C=C(C)C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)[O-] ZINC001350611793 966712270 /nfs/dbraw/zinc/71/22/70/966712270.db2.gz XIPVXZHMUHOPAQ-KGLIPLIRSA-N 1 2 282.384 1.249 20 30 CDEDLO C=C[C@H](COC)[NH2+]Cc1cn(Cc2ccccc2)nn1 ZINC001352017357 967061695 /nfs/dbraw/zinc/06/16/95/967061695.db2.gz USFNLNSHQPOIDG-CQSZACIVSA-N 1 2 272.352 1.617 20 30 CDEDLO Cc1cc(CNC(=O)[C@@H](C)n2cnc(C#N)n2)cc(C)[nH+]1 ZINC001361631739 970361287 /nfs/dbraw/zinc/36/12/87/970361287.db2.gz ZUUSTBLMBIGVAS-LLVKDONJSA-N 1 2 284.323 1.039 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)COC ZINC001372533402 973001987 /nfs/dbraw/zinc/00/19/87/973001987.db2.gz NDOQWIJWVVVZGD-GFCCVEGCSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)COC ZINC001372533402 973002000 /nfs/dbraw/zinc/00/20/00/973002000.db2.gz NDOQWIJWVVVZGD-GFCCVEGCSA-N 1 2 288.819 1.992 20 30 CDEDLO Cc1[nH]c(CNC(=O)c2ccc(C#N)cc2F)[nH+]c1C ZINC001417665272 973257553 /nfs/dbraw/zinc/25/75/53/973257553.db2.gz XUOQCQMTPQATIF-UHFFFAOYSA-N 1 2 272.283 1.967 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCc2ccon2)C1 ZINC001417941280 973488326 /nfs/dbraw/zinc/48/83/26/973488326.db2.gz YMWCIBBBHBUAEV-LBPRGKRZSA-N 1 2 283.759 1.550 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCc2ccon2)C1 ZINC001417941280 973488334 /nfs/dbraw/zinc/48/83/34/973488334.db2.gz YMWCIBBBHBUAEV-LBPRGKRZSA-N 1 2 283.759 1.550 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cccc(OC)n1 ZINC001375126348 974268186 /nfs/dbraw/zinc/26/81/86/974268186.db2.gz AJPUTANTLMYIRV-NSHDSACASA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cccc(OC)n1 ZINC001375126348 974268193 /nfs/dbraw/zinc/26/81/93/974268193.db2.gz AJPUTANTLMYIRV-NSHDSACASA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@]1(F)CCOC1 ZINC001377341934 974983113 /nfs/dbraw/zinc/98/31/13/974983113.db2.gz LDMCKUDPENKIGR-LBPRGKRZSA-N 1 2 278.755 1.306 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@]1(F)CCOC1 ZINC001377341934 974983117 /nfs/dbraw/zinc/98/31/17/974983117.db2.gz LDMCKUDPENKIGR-LBPRGKRZSA-N 1 2 278.755 1.306 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)CCn1cncn1)C1CC1 ZINC001377515121 975059805 /nfs/dbraw/zinc/05/98/05/975059805.db2.gz WLCHTXPRFBWRKS-UHFFFAOYSA-N 1 2 297.790 1.001 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)CCn1cncn1)C1CC1 ZINC001377515121 975059811 /nfs/dbraw/zinc/05/98/11/975059811.db2.gz WLCHTXPRFBWRKS-UHFFFAOYSA-N 1 2 297.790 1.001 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cccc(=O)n1C ZINC001506000084 975079273 /nfs/dbraw/zinc/07/92/73/975079273.db2.gz VGFWKMBOMNQGCJ-NSHDSACASA-N 1 2 297.786 1.188 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cccc(=O)n1C ZINC001506000084 975079276 /nfs/dbraw/zinc/07/92/76/975079276.db2.gz VGFWKMBOMNQGCJ-NSHDSACASA-N 1 2 297.786 1.188 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccnc(OC)c1 ZINC001379709711 976023218 /nfs/dbraw/zinc/02/32/18/976023218.db2.gz QJWBGFBLQRDMRP-LLVKDONJSA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccnc(OC)c1 ZINC001379709711 976023233 /nfs/dbraw/zinc/02/32/33/976023233.db2.gz QJWBGFBLQRDMRP-LLVKDONJSA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@@H](C)n1cccn1 ZINC001406160965 976074315 /nfs/dbraw/zinc/07/43/15/976074315.db2.gz UESLGJNQHCUPAM-CYBMUJFWSA-N 1 2 298.818 1.977 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@@H](C)n1cccn1 ZINC001406160965 976074324 /nfs/dbraw/zinc/07/43/24/976074324.db2.gz UESLGJNQHCUPAM-CYBMUJFWSA-N 1 2 298.818 1.977 20 30 CDEDLO C[C@H](C#N)C(=O)NCC[N@H+](C)Cc1cc(O)ccc1Cl ZINC001399436638 976487516 /nfs/dbraw/zinc/48/75/16/976487516.db2.gz LNCZPHUXRLMEQD-SNVBAGLBSA-N 1 2 295.770 1.753 20 30 CDEDLO C[C@H](C#N)C(=O)NCC[N@@H+](C)Cc1cc(O)ccc1Cl ZINC001399436638 976487521 /nfs/dbraw/zinc/48/75/21/976487521.db2.gz LNCZPHUXRLMEQD-SNVBAGLBSA-N 1 2 295.770 1.753 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@H](C)C#N)[C@H](C)c1nnc(C)o1 ZINC001391124437 976705089 /nfs/dbraw/zinc/70/50/89/976705089.db2.gz WMLBMEKWFZNQAX-GHMZBOCLSA-N 1 2 293.371 1.427 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@H](C)C#N)[C@H](C)c1nnc(C)o1 ZINC001391124437 976705097 /nfs/dbraw/zinc/70/50/97/976705097.db2.gz WMLBMEKWFZNQAX-GHMZBOCLSA-N 1 2 293.371 1.427 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccnc(OC)n1 ZINC001403136696 976753298 /nfs/dbraw/zinc/75/32/98/976753298.db2.gz GVGIKNDSAHXSBY-JTQLQIEISA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccnc(OC)n1 ZINC001403136696 976753303 /nfs/dbraw/zinc/75/33/03/976753303.db2.gz GVGIKNDSAHXSBY-JTQLQIEISA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1ccccc1=O ZINC001403185238 976796516 /nfs/dbraw/zinc/79/65/16/976796516.db2.gz IKMJQMMMRQYJMG-LBPRGKRZSA-N 1 2 297.786 1.037 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cn1ccccc1=O ZINC001403185238 976796522 /nfs/dbraw/zinc/79/65/22/976796522.db2.gz IKMJQMMMRQYJMG-LBPRGKRZSA-N 1 2 297.786 1.037 20 30 CDEDLO COc1ccc(NC(=O)NCc2ccc(N)[nH+]c2)cc1C#N ZINC001414494731 977218870 /nfs/dbraw/zinc/21/88/70/977218870.db2.gz SICNHAUODJHFEX-UHFFFAOYSA-N 1 2 297.318 1.866 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC(C)(C)O)[C@@H]1C ZINC001382326681 977253993 /nfs/dbraw/zinc/25/39/93/977253993.db2.gz CINGYPPVGWUJHF-NWDGAFQWSA-N 1 2 288.819 1.869 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC(C)(C)O)[C@@H]1C ZINC001382326681 977254000 /nfs/dbraw/zinc/25/40/00/977254000.db2.gz CINGYPPVGWUJHF-NWDGAFQWSA-N 1 2 288.819 1.869 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001132302420 1163230214 /nfs/dbraw/zinc/23/02/14/1163230214.db2.gz SHWFXGGWHXEDJM-UHFFFAOYSA-N 1 2 276.384 1.593 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001132304170 1163236053 /nfs/dbraw/zinc/23/60/53/1163236053.db2.gz INOGNWIVTCBZSR-SNVBAGLBSA-N 1 2 282.413 1.907 20 30 CDEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001132568648 1163375664 /nfs/dbraw/zinc/37/56/64/1163375664.db2.gz BKWJERXWTDSSHR-MNOVXSKESA-N 1 2 292.383 1.611 20 30 CDEDLO CC#CCCCC(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001132591317 1163393336 /nfs/dbraw/zinc/39/33/36/1163393336.db2.gz LRJVQYYRYFAJDG-UHFFFAOYSA-N 1 2 274.368 1.184 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001132663242 1163430408 /nfs/dbraw/zinc/43/04/08/1163430408.db2.gz SKXZUSYDILEGBJ-QWRGUYRKSA-N 1 2 280.372 1.747 20 30 CDEDLO C=C1CCC(C(=O)NCC[NH2+]Cc2nc(CC)no2)CC1 ZINC001133365127 1163656977 /nfs/dbraw/zinc/65/69/77/1163656977.db2.gz CWJHVPADOZOXCW-UHFFFAOYSA-N 1 2 292.383 1.584 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[NH2+][C@H](C)c2csnn2)C1 ZINC001133563987 1163786409 /nfs/dbraw/zinc/78/64/09/1163786409.db2.gz DNXFGLDXIDYUMA-SNVBAGLBSA-N 1 2 280.397 1.661 20 30 CDEDLO C[C@H](CNC(=O)c1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000046269473 342054416 /nfs/dbraw/zinc/05/44/16/342054416.db2.gz LYEQRUKFVUOYOO-GFCCVEGCSA-N 1 2 273.336 1.009 20 30 CDEDLO N#Cc1ccc(C(=O)NCC[NH+]2Cc3ccccc3C2)nc1 ZINC000609344913 342103615 /nfs/dbraw/zinc/10/36/15/342103615.db2.gz DTIROKMOXVMNII-UHFFFAOYSA-N 1 2 292.342 1.699 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000591047373 342615982 /nfs/dbraw/zinc/61/59/82/342615982.db2.gz SVVFNKRUTWETBY-LBPRGKRZSA-N 1 2 276.336 1.652 20 30 CDEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000351632940 361825343 /nfs/dbraw/zinc/82/53/43/361825343.db2.gz LHEXBQNMCFEGGH-QWHCGFSZSA-N 1 2 265.357 1.002 20 30 CDEDLO C[C@H](C#N)CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611627024 346832898 /nfs/dbraw/zinc/83/28/98/346832898.db2.gz SIWWWEXZGVVKNT-NEPJUHHUSA-N 1 2 261.329 1.389 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000592148206 342668132 /nfs/dbraw/zinc/66/81/32/342668132.db2.gz RWZPSUFHDPIPQG-ZDUSSCGKSA-N 1 2 274.280 1.180 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000592148206 342668133 /nfs/dbraw/zinc/66/81/33/342668133.db2.gz RWZPSUFHDPIPQG-ZDUSSCGKSA-N 1 2 274.280 1.180 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000592151399 342669047 /nfs/dbraw/zinc/66/90/47/342669047.db2.gz OISLPJUWASPSLB-CYBMUJFWSA-N 1 2 252.264 1.815 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000592151399 342669048 /nfs/dbraw/zinc/66/90/48/342669048.db2.gz OISLPJUWASPSLB-CYBMUJFWSA-N 1 2 252.264 1.815 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000592155279 342670086 /nfs/dbraw/zinc/67/00/86/342670086.db2.gz ZKBPJAXUEFMMGK-LBPRGKRZSA-N 1 2 285.269 1.951 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000592155279 342670087 /nfs/dbraw/zinc/67/00/87/342670087.db2.gz ZKBPJAXUEFMMGK-LBPRGKRZSA-N 1 2 285.269 1.951 20 30 CDEDLO Cc1cc(NCCNC(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC000600364037 342159278 /nfs/dbraw/zinc/15/92/78/342159278.db2.gz FINZBPFMZSSBFZ-SNVBAGLBSA-N 1 2 275.356 1.018 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cn(-c2ccccc2)cn1 ZINC000593153514 342774296 /nfs/dbraw/zinc/77/42/96/342774296.db2.gz SKGHXQFTVLDYSA-INIZCTEOSA-N 1 2 297.362 1.446 20 30 CDEDLO C[C@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000448645617 361944246 /nfs/dbraw/zinc/94/42/46/361944246.db2.gz AJVCZVSGUKTIIU-BBRMVZONSA-N 1 2 284.363 1.276 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)C[C@@H](C2CC2)O1 ZINC000593981224 342864172 /nfs/dbraw/zinc/86/41/72/342864172.db2.gz ZEGUORYQQQCTMO-ABAIWWIYSA-N 1 2 257.337 1.953 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)C[C@@H](C2CC2)O1 ZINC000593981224 342864173 /nfs/dbraw/zinc/86/41/73/342864173.db2.gz ZEGUORYQQQCTMO-ABAIWWIYSA-N 1 2 257.337 1.953 20 30 CDEDLO C[C@@H](Nc1c(C#N)cccc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000302885957 539099302 /nfs/dbraw/zinc/09/93/02/539099302.db2.gz MTVAROHPZBBDGD-OLZOCXBDSA-N 1 2 284.363 1.951 20 30 CDEDLO COCC[N@H+](C)Cc1cn(CC2(C#N)CCCCC2)nn1 ZINC000594658734 342936138 /nfs/dbraw/zinc/93/61/38/342936138.db2.gz ZMKCBJDQABAJKC-UHFFFAOYSA-N 1 2 291.399 1.830 20 30 CDEDLO COCC[N@@H+](C)Cc1cn(CC2(C#N)CCCCC2)nn1 ZINC000594658734 342936140 /nfs/dbraw/zinc/93/61/40/342936140.db2.gz ZMKCBJDQABAJKC-UHFFFAOYSA-N 1 2 291.399 1.830 20 30 CDEDLO CCC(C#N)(CC)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000599339641 344013486 /nfs/dbraw/zinc/01/34/86/344013486.db2.gz HRGJCVJJJIPMOD-GFCCVEGCSA-N 1 2 267.373 1.153 20 30 CDEDLO CCC(C#N)(CC)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000599339641 344013489 /nfs/dbraw/zinc/01/34/89/344013489.db2.gz HRGJCVJJJIPMOD-GFCCVEGCSA-N 1 2 267.373 1.153 20 30 CDEDLO CC#CC[N@@H+](C)Cc1nc2cc(C(=O)OC)ccc2[nH]1 ZINC000595504932 343079676 /nfs/dbraw/zinc/07/96/76/343079676.db2.gz KTJGCRJEACAQQQ-UHFFFAOYSA-N 1 2 271.320 1.805 20 30 CDEDLO CC#CC[N@H+](C)Cc1nc2cc(C(=O)OC)ccc2[nH]1 ZINC000595504932 343079678 /nfs/dbraw/zinc/07/96/78/343079678.db2.gz KTJGCRJEACAQQQ-UHFFFAOYSA-N 1 2 271.320 1.805 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595551614 343085739 /nfs/dbraw/zinc/08/57/39/343085739.db2.gz JEYMWXMMJJVFTG-KBPBESRZSA-N 1 2 294.399 1.042 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595551614 343085741 /nfs/dbraw/zinc/08/57/41/343085741.db2.gz JEYMWXMMJJVFTG-KBPBESRZSA-N 1 2 294.399 1.042 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000076994041 342326392 /nfs/dbraw/zinc/32/63/92/342326392.db2.gz NTQQIZSENWGEJD-CYBMUJFWSA-N 1 2 290.367 1.882 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000076994041 342326393 /nfs/dbraw/zinc/32/63/93/342326393.db2.gz NTQQIZSENWGEJD-CYBMUJFWSA-N 1 2 290.367 1.882 20 30 CDEDLO CN1CC[N@H+](Cc2cccc(C#N)c2F)CCC1=O ZINC000595771680 343147451 /nfs/dbraw/zinc/14/74/51/343147451.db2.gz DKOFAYWIUXLHCT-UHFFFAOYSA-N 1 2 261.300 1.361 20 30 CDEDLO CN1CC[N@@H+](Cc2cccc(C#N)c2F)CCC1=O ZINC000595771680 343147452 /nfs/dbraw/zinc/14/74/52/343147452.db2.gz DKOFAYWIUXLHCT-UHFFFAOYSA-N 1 2 261.300 1.361 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595830582 343168821 /nfs/dbraw/zinc/16/88/21/343168821.db2.gz IDDPBEOROIVJRF-KGLIPLIRSA-N 1 2 261.321 1.867 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595830582 343168823 /nfs/dbraw/zinc/16/88/23/343168823.db2.gz IDDPBEOROIVJRF-KGLIPLIRSA-N 1 2 261.321 1.867 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCCCC#N)C(C)(C)CO ZINC000596552515 343341067 /nfs/dbraw/zinc/34/10/67/343341067.db2.gz BJFXPPZWCDNQFZ-NSHDSACASA-N 1 2 293.371 1.083 20 30 CDEDLO CC(C)C[C@H](C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597073017 343438667 /nfs/dbraw/zinc/43/86/67/343438667.db2.gz DGDPLCXMEXXUHS-IJLUTSLNSA-N 1 2 260.341 1.578 20 30 CDEDLO CN(C)c1[nH+]cc(CN2CCC[C@H](CC#N)C2)n1C ZINC000597176959 343468729 /nfs/dbraw/zinc/46/87/29/343468729.db2.gz KGSLOIHBFXXWOX-GFCCVEGCSA-N 1 2 261.373 1.612 20 30 CDEDLO N#CCCCC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597943238 343674868 /nfs/dbraw/zinc/67/48/68/343674868.db2.gz IWYPRMAMPGAAKU-UHFFFAOYSA-N 1 2 272.352 1.992 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(C#N)s2)[C@H](C)CO1 ZINC000598001347 343686245 /nfs/dbraw/zinc/68/62/45/343686245.db2.gz ZLAOYLCHRVFOPZ-GHMZBOCLSA-N 1 2 293.392 1.459 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)s2)[C@H](C)CO1 ZINC000598001347 343686246 /nfs/dbraw/zinc/68/62/46/343686246.db2.gz ZLAOYLCHRVFOPZ-GHMZBOCLSA-N 1 2 293.392 1.459 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCc2ccc(OC)cc2CC1 ZINC000619719753 349869427 /nfs/dbraw/zinc/86/94/27/349869427.db2.gz AQCAIMGMQBASFJ-HNNXBMFYSA-N 1 2 275.348 1.823 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCc2ccc(OC)cc2CC1 ZINC000619719753 349869431 /nfs/dbraw/zinc/86/94/31/349869431.db2.gz AQCAIMGMQBASFJ-HNNXBMFYSA-N 1 2 275.348 1.823 20 30 CDEDLO COC(=O)[C@@]1([NH2+]C[C@H](O)CC(C)(C)C#N)CC[C@@H](C)CC1 ZINC000598626709 343848215 /nfs/dbraw/zinc/84/82/15/343848215.db2.gz GYQRZQSTIYFBGA-XJKCOSOUSA-N 1 2 296.411 1.999 20 30 CDEDLO Cn1ccnc1C[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598600073 343850189 /nfs/dbraw/zinc/85/01/89/343850189.db2.gz UELUGOPSNSVQHF-LLVKDONJSA-N 1 2 250.346 1.153 20 30 CDEDLO Cn1ccnc1C[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598600073 343850192 /nfs/dbraw/zinc/85/01/92/343850192.db2.gz UELUGOPSNSVQHF-LLVKDONJSA-N 1 2 250.346 1.153 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CCc2cc(F)ccc21 ZINC000598836398 343914575 /nfs/dbraw/zinc/91/45/75/343914575.db2.gz IENMJSLGWAWFJX-HOCLYGCPSA-N 1 2 289.354 1.816 20 30 CDEDLO N#CC1(c2ccc(C(=O)N[C@H]3Cc4c[nH+]cn4C3)cc2)CC1 ZINC000598946430 343925981 /nfs/dbraw/zinc/92/59/81/343925981.db2.gz FSZHMAGZLWNCJC-AWEZNQCLSA-N 1 2 292.342 1.793 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)NCc1ccccc1F ZINC000602861292 344616832 /nfs/dbraw/zinc/61/68/32/344616832.db2.gz GUMUHEAQAWVRFU-MNOVXSKESA-N 1 2 263.316 1.722 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000602861650 344617063 /nfs/dbraw/zinc/61/70/63/344617063.db2.gz GWNJJPCABLRURU-RYUDHWBXSA-N 1 2 277.343 1.765 20 30 CDEDLO Cc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC000602861768 344617358 /nfs/dbraw/zinc/61/73/58/344617358.db2.gz ISKSYNSAJSPIET-QWHCGFSZSA-N 1 2 259.353 1.892 20 30 CDEDLO CC(C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000025174659 362472288 /nfs/dbraw/zinc/47/22/88/362472288.db2.gz AZUUEKFGMHTLFJ-UHFFFAOYSA-N 1 2 293.392 1.273 20 30 CDEDLO C=CCCOCCNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635738657 362482871 /nfs/dbraw/zinc/48/28/71/362482871.db2.gz YTJJOFSIYNKLHJ-UHFFFAOYSA-N 1 2 273.336 1.965 20 30 CDEDLO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612166956 347068593 /nfs/dbraw/zinc/06/85/93/347068593.db2.gz TZOSFRWYZRPICE-GXTWGEPZSA-N 1 2 251.374 1.869 20 30 CDEDLO CCN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612166956 347068597 /nfs/dbraw/zinc/06/85/97/347068597.db2.gz TZOSFRWYZRPICE-GXTWGEPZSA-N 1 2 251.374 1.869 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)OC(C)(C)C)nn1 ZINC000603201637 344733527 /nfs/dbraw/zinc/73/35/27/344733527.db2.gz GUBWZCOSEBRKKX-LLVKDONJSA-N 1 2 278.356 1.294 20 30 CDEDLO CCCCNC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000603839158 344839108 /nfs/dbraw/zinc/83/91/08/344839108.db2.gz ZHVZLSCCNIMFOA-UHFFFAOYSA-N 1 2 282.388 1.044 20 30 CDEDLO C[C@H]1CO[C@H](CO)C[N@@H+]1CCOc1cccc(C#N)c1 ZINC000129224988 362533647 /nfs/dbraw/zinc/53/36/47/362533647.db2.gz IUIAPSWNFPOGKB-WFASDCNBSA-N 1 2 276.336 1.019 20 30 CDEDLO C[C@H]1CO[C@H](CO)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000129224988 362533654 /nfs/dbraw/zinc/53/36/54/362533654.db2.gz IUIAPSWNFPOGKB-WFASDCNBSA-N 1 2 276.336 1.019 20 30 CDEDLO C[N@H+](CCOc1ccccc1C#N)Cc1c[nH]cn1 ZINC000619510886 345423923 /nfs/dbraw/zinc/42/39/23/345423923.db2.gz ALJLDFUJIFTRET-UHFFFAOYSA-N 1 2 256.309 1.792 20 30 CDEDLO C[N@@H+](CCOc1ccccc1C#N)Cc1c[nH]cn1 ZINC000619510886 345423925 /nfs/dbraw/zinc/42/39/25/345423925.db2.gz ALJLDFUJIFTRET-UHFFFAOYSA-N 1 2 256.309 1.792 20 30 CDEDLO C[N@H+](CCOc1ccccc1C#N)Cc1cnc[nH]1 ZINC000619510886 345423926 /nfs/dbraw/zinc/42/39/26/345423926.db2.gz ALJLDFUJIFTRET-UHFFFAOYSA-N 1 2 256.309 1.792 20 30 CDEDLO C[N@@H+](CCOc1ccccc1C#N)Cc1cnc[nH]1 ZINC000619510886 345423928 /nfs/dbraw/zinc/42/39/28/345423928.db2.gz ALJLDFUJIFTRET-UHFFFAOYSA-N 1 2 256.309 1.792 20 30 CDEDLO C[N@H+](CCN1CCCC1=O)Cc1cn2ccccc2c1C#N ZINC000609578191 345816402 /nfs/dbraw/zinc/81/64/02/345816402.db2.gz IIOPNSDWNVQSKN-UHFFFAOYSA-N 1 2 296.374 1.865 20 30 CDEDLO C[N@@H+](CCN1CCCC1=O)Cc1cn2ccccc2c1C#N ZINC000609578191 345816404 /nfs/dbraw/zinc/81/64/04/345816404.db2.gz IIOPNSDWNVQSKN-UHFFFAOYSA-N 1 2 296.374 1.865 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617734606 345937980 /nfs/dbraw/zinc/93/79/80/345937980.db2.gz FHAHJXGCFFYOKO-HZSPNIEDSA-N 1 2 284.400 1.193 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617734606 345937982 /nfs/dbraw/zinc/93/79/82/345937982.db2.gz FHAHJXGCFFYOKO-HZSPNIEDSA-N 1 2 284.400 1.193 20 30 CDEDLO C=CCn1nnnc1SCc1ccc(-n2cc[nH+]c2)nc1 ZINC000175252773 346229788 /nfs/dbraw/zinc/22/97/88/346229788.db2.gz JTTPEDGNUFRZCS-UHFFFAOYSA-N 1 2 299.363 1.732 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1cn[nH]c1 ZINC000610487441 346292720 /nfs/dbraw/zinc/29/27/20/346292720.db2.gz LHUSCKGSGXWBEX-LLVKDONJSA-N 1 2 283.335 1.740 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1cn[nH]c1 ZINC000610487441 346292723 /nfs/dbraw/zinc/29/27/23/346292723.db2.gz LHUSCKGSGXWBEX-LLVKDONJSA-N 1 2 283.335 1.740 20 30 CDEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H]2CCN(C(C)C)C2=O)CC1 ZINC000610481141 346290845 /nfs/dbraw/zinc/29/08/45/346290845.db2.gz KFDURIAOMJDYRF-HUUCEWRRSA-N 1 2 292.427 1.161 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635889088 362689655 /nfs/dbraw/zinc/68/96/55/362689655.db2.gz HMCYRLJFMHUUIU-ABAIWWIYSA-N 1 2 277.368 1.612 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635889089 362690604 /nfs/dbraw/zinc/69/06/04/362690604.db2.gz HMCYRLJFMHUUIU-IAQYHMDHSA-N 1 2 277.368 1.612 20 30 CDEDLO CC(C)C[C@@H](C#N)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000611012007 346576631 /nfs/dbraw/zinc/57/66/31/346576631.db2.gz DHOLQAOZORPDQZ-RYUDHWBXSA-N 1 2 260.341 1.500 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)Cc1[nH]cc[nH+]1 ZINC000611191160 346685921 /nfs/dbraw/zinc/68/59/21/346685921.db2.gz TWWJWGDHLYAYIX-GFCCVEGCSA-N 1 2 289.383 1.573 20 30 CDEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CC=CCC3)C2=O)cc1 ZINC000611508410 346800083 /nfs/dbraw/zinc/80/00/83/346800083.db2.gz AKZQRWUDIXGIRU-AWEZNQCLSA-N 1 2 281.315 1.452 20 30 CDEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CC=CCC3)C2=O)cc1 ZINC000611508410 346800084 /nfs/dbraw/zinc/80/00/84/346800084.db2.gz AKZQRWUDIXGIRU-AWEZNQCLSA-N 1 2 281.315 1.452 20 30 CDEDLO N#CCNC(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000066472975 347488627 /nfs/dbraw/zinc/48/86/27/347488627.db2.gz DJQHMZMZHLVNHN-MRXNPFEDSA-N 1 2 280.331 1.400 20 30 CDEDLO C[C@@]1(C#N)CCCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000614491627 348126680 /nfs/dbraw/zinc/12/66/80/348126680.db2.gz JFPYVDWHDJXILX-DOMZBBRYSA-N 1 2 287.367 1.533 20 30 CDEDLO COc1cc(C#N)cc(OC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000414121058 362926224 /nfs/dbraw/zinc/92/62/24/362926224.db2.gz FSFVGLBKFUHDQY-CYBMUJFWSA-N 1 2 289.335 1.152 20 30 CDEDLO COc1cc(C#N)cc(OC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414121058 362926228 /nfs/dbraw/zinc/92/62/28/362926228.db2.gz FSFVGLBKFUHDQY-CYBMUJFWSA-N 1 2 289.335 1.152 20 30 CDEDLO N#C[C@@]1(F)CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000615661079 348628700 /nfs/dbraw/zinc/62/87/00/348628700.db2.gz AHWCHZGXFMSWPO-HNNXBMFYSA-N 1 2 284.294 1.950 20 30 CDEDLO C[C@H](C#N)CN(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000046944569 348801225 /nfs/dbraw/zinc/80/12/25/348801225.db2.gz XXLPDYNHFITVBO-GFCCVEGCSA-N 1 2 275.356 1.685 20 30 CDEDLO CCn1cc(C[N@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)cn1 ZINC000072982105 349144123 /nfs/dbraw/zinc/14/41/23/349144123.db2.gz SQMKFUYYHUZXOC-OAHLLOKOSA-N 1 2 289.383 1.143 20 30 CDEDLO CCn1cc(C[N@@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)cn1 ZINC000072982105 349144126 /nfs/dbraw/zinc/14/41/26/349144126.db2.gz SQMKFUYYHUZXOC-OAHLLOKOSA-N 1 2 289.383 1.143 20 30 CDEDLO CC[C@@H]1C(=O)NCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000106361337 186109771 /nfs/dbraw/zinc/10/97/71/186109771.db2.gz IIDQFVOKAVCSIE-CQSZACIVSA-N 1 2 273.336 1.147 20 30 CDEDLO CC[C@@H]1C(=O)NCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000106361337 186109772 /nfs/dbraw/zinc/10/97/72/186109772.db2.gz IIDQFVOKAVCSIE-CQSZACIVSA-N 1 2 273.336 1.147 20 30 CDEDLO CCC(=O)N1CCC[N@H+](C[C@@H](C#N)CCC#N)CC1 ZINC000077410247 350698545 /nfs/dbraw/zinc/69/85/45/350698545.db2.gz WDCGNYBMYQSTGX-CYBMUJFWSA-N 1 2 262.357 1.374 20 30 CDEDLO CCC(=O)N1CCC[N@@H+](C[C@@H](C#N)CCC#N)CC1 ZINC000077410247 350698546 /nfs/dbraw/zinc/69/85/46/350698546.db2.gz WDCGNYBMYQSTGX-CYBMUJFWSA-N 1 2 262.357 1.374 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001038536435 781929737 /nfs/dbraw/zinc/92/97/37/781929737.db2.gz OZBSRWVVQDNJCZ-ZQDZILKHSA-N 1 2 276.380 1.015 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001038536435 781929751 /nfs/dbraw/zinc/92/97/51/781929751.db2.gz OZBSRWVVQDNJCZ-ZQDZILKHSA-N 1 2 276.380 1.015 20 30 CDEDLO COC(=O)C(C)(C)[NH2+]CCCOc1cccc(C#N)c1 ZINC000156064930 188241140 /nfs/dbraw/zinc/24/11/40/188241140.db2.gz XEKDAMJVUBJMNO-UHFFFAOYSA-N 1 2 276.336 1.868 20 30 CDEDLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000365274188 363310207 /nfs/dbraw/zinc/31/02/07/363310207.db2.gz IIGSDBCWUWGTCK-AWEZNQCLSA-N 1 2 293.392 1.072 20 30 CDEDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000365274188 363310212 /nfs/dbraw/zinc/31/02/12/363310212.db2.gz IIGSDBCWUWGTCK-AWEZNQCLSA-N 1 2 293.392 1.072 20 30 CDEDLO CC(C)OC[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCO1 ZINC000365353223 363347613 /nfs/dbraw/zinc/34/76/13/363347613.db2.gz CCHZGBZNQDWHAP-OAHLLOKOSA-N 1 2 277.368 1.523 20 30 CDEDLO CC(C)OC[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CCO1 ZINC000365353223 363347618 /nfs/dbraw/zinc/34/76/18/363347618.db2.gz CCHZGBZNQDWHAP-OAHLLOKOSA-N 1 2 277.368 1.523 20 30 CDEDLO C=CC[C@@H](CO)NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000492625982 366174586 /nfs/dbraw/zinc/17/45/86/366174586.db2.gz XEPDYERKBFHFJG-AJHXJQRKSA-N 1 2 297.358 1.939 20 30 CDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(C#N)cc1 ZINC000285682566 356122173 /nfs/dbraw/zinc/12/21/73/356122173.db2.gz GJZKVGDPPCDMAV-CJNGLKHVSA-N 1 2 299.374 1.493 20 30 CDEDLO C=C[C@@H](CO)NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000356879226 356490395 /nfs/dbraw/zinc/49/03/95/356490395.db2.gz YHCZDHKYBUCZEF-NSHDSACASA-N 1 2 259.309 1.158 20 30 CDEDLO C[C@H]1CCN(c2cncc(C#N)n2)C[C@H]1n1cc[nH+]c1 ZINC000584046482 366255644 /nfs/dbraw/zinc/25/56/44/366255644.db2.gz WEEHQSYBEMBEBF-WCQYABFASA-N 1 2 268.324 1.632 20 30 CDEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)c1ccccn1 ZINC000329725985 538625950 /nfs/dbraw/zinc/62/59/50/538625950.db2.gz CAHWZSKDVZMVIB-YUTCNCBUSA-N 1 2 290.367 1.071 20 30 CDEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)c1ccccn1 ZINC000329725985 538625962 /nfs/dbraw/zinc/62/59/62/538625962.db2.gz CAHWZSKDVZMVIB-YUTCNCBUSA-N 1 2 290.367 1.071 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000048336690 356789410 /nfs/dbraw/zinc/78/94/10/356789410.db2.gz TUJKXPDZLDHRIU-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO C=C(Cl)C[N@@H+](CCC)[C@H](CC(=O)NCCC)C(N)=O ZINC000299183577 356981086 /nfs/dbraw/zinc/98/10/86/356981086.db2.gz ZSUUMUAABMDHCJ-LLVKDONJSA-N 1 2 289.807 1.221 20 30 CDEDLO C=C(Cl)C[N@H+](CCC)[C@H](CC(=O)NCCC)C(N)=O ZINC000299183577 356981089 /nfs/dbraw/zinc/98/10/89/356981089.db2.gz ZSUUMUAABMDHCJ-LLVKDONJSA-N 1 2 289.807 1.221 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000299412224 357055777 /nfs/dbraw/zinc/05/57/77/357055777.db2.gz WBKUWXDMQVSFJH-QLFBSQMISA-N 1 2 260.381 1.448 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000299378140 357048640 /nfs/dbraw/zinc/04/86/40/357048640.db2.gz SKTGXFIWFXCCIZ-ZDUSSCGKSA-N 1 2 286.400 1.590 20 30 CDEDLO CCN(C)C(=C(O)NC1=[NH+]CCS1)c1ccccc1 ZINC000057894472 357369780 /nfs/dbraw/zinc/36/97/80/357369780.db2.gz HWUPAVSHXHKPCR-GFCCVEGCSA-N 1 2 277.393 1.898 20 30 CDEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)c[nH]1 ZINC000181169602 357318923 /nfs/dbraw/zinc/31/89/23/357318923.db2.gz IPLCOPHWZJLGIE-UHFFFAOYSA-N 1 2 295.346 1.239 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@H+](Cc1ccccn1)C1CC1)C1CC1 ZINC000181345583 357337261 /nfs/dbraw/zinc/33/72/61/357337261.db2.gz FPAPBWYPONIQAZ-KRWDZBQOSA-N 1 2 298.390 1.854 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1ccccn1)C1CC1)C1CC1 ZINC000181345583 357337267 /nfs/dbraw/zinc/33/72/67/357337267.db2.gz FPAPBWYPONIQAZ-KRWDZBQOSA-N 1 2 298.390 1.854 20 30 CDEDLO N#Cc1ccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)c(F)c1 ZINC000294727439 199154397 /nfs/dbraw/zinc/15/43/97/199154397.db2.gz GBKPYVUFLCYPNS-UHFFFAOYSA-N 1 2 271.299 1.983 20 30 CDEDLO N#Cc1ccnc(N2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000295568407 358525068 /nfs/dbraw/zinc/52/50/68/358525068.db2.gz QYKJBWRPFFSESW-LBPRGKRZSA-N 1 2 280.335 1.682 20 30 CDEDLO CO[C@@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)C[C@H]1O ZINC000451756876 359077054 /nfs/dbraw/zinc/07/70/54/359077054.db2.gz HCBWHOJJLXIGDV-CHWSQXEVSA-N 1 2 266.728 1.403 20 30 CDEDLO CO[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@H]1O ZINC000451756876 359077055 /nfs/dbraw/zinc/07/70/55/359077055.db2.gz HCBWHOJJLXIGDV-CHWSQXEVSA-N 1 2 266.728 1.403 20 30 CDEDLO CCC[N@H+](Cc1ccc(C#N)cn1)[C@H]1CCS(=O)(=O)C1 ZINC000570055460 359278349 /nfs/dbraw/zinc/27/83/49/359278349.db2.gz VKVZJPSBOOSYCF-AWEZNQCLSA-N 1 2 293.392 1.352 20 30 CDEDLO CCC[N@@H+](Cc1ccc(C#N)cn1)[C@H]1CCS(=O)(=O)C1 ZINC000570055460 359278354 /nfs/dbraw/zinc/27/83/54/359278354.db2.gz VKVZJPSBOOSYCF-AWEZNQCLSA-N 1 2 293.392 1.352 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[NH+]1CCOCC1 ZINC000268202820 359359746 /nfs/dbraw/zinc/35/97/46/359359746.db2.gz ZARZMWGTTDHPJJ-UHFFFAOYSA-N 1 2 252.358 1.203 20 30 CDEDLO C=C(C)[C@H](CC(=O)N(C)Cc1[nH+]ccn1C)OCC ZINC000270154571 359390717 /nfs/dbraw/zinc/39/07/17/359390717.db2.gz WYPKVZUANVBRNC-LBPRGKRZSA-N 1 2 265.357 1.750 20 30 CDEDLO C#CCCC[N@H+](CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C ZINC000272892226 359472220 /nfs/dbraw/zinc/47/22/20/359472220.db2.gz ZLYJCBWBUMTDFL-CYBMUJFWSA-N 1 2 296.411 1.568 20 30 CDEDLO C#CCCC[N@@H+](CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C ZINC000272892226 359472224 /nfs/dbraw/zinc/47/22/24/359472224.db2.gz ZLYJCBWBUMTDFL-CYBMUJFWSA-N 1 2 296.411 1.568 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1C(=O)OC)C1CC1 ZINC000274020531 359490199 /nfs/dbraw/zinc/49/01/99/359490199.db2.gz BYHUWBWRRCKLDL-UHFFFAOYSA-N 1 2 286.331 1.509 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1ccccc1C(=O)OC)C1CC1 ZINC000274020531 359490203 /nfs/dbraw/zinc/49/02/03/359490203.db2.gz BYHUWBWRRCKLDL-UHFFFAOYSA-N 1 2 286.331 1.509 20 30 CDEDLO N#Cc1ccc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000571497941 359579496 /nfs/dbraw/zinc/57/94/96/359579496.db2.gz SICZQIGQWKKAPI-PHIMTYICSA-N 1 2 291.376 1.213 20 30 CDEDLO N#Cc1ccc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000571497941 359579498 /nfs/dbraw/zinc/57/94/98/359579498.db2.gz SICZQIGQWKKAPI-PHIMTYICSA-N 1 2 291.376 1.213 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000279973039 359598497 /nfs/dbraw/zinc/59/84/97/359598497.db2.gz UNNRFONONSHTEO-ZIAGYGMSSA-N 1 2 277.368 1.713 20 30 CDEDLO Cn1ncc2c1nc[nH+]c2NCc1cc(C#N)ccc1F ZINC000172777587 237324862 /nfs/dbraw/zinc/32/48/62/237324862.db2.gz SLRLMRCNOWNONJ-UHFFFAOYSA-N 1 2 282.282 1.986 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000408358891 359686923 /nfs/dbraw/zinc/68/69/23/359686923.db2.gz IWQHAMDOMHFQDW-SWLSCSKDSA-N 1 2 281.400 1.540 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000408358891 359686925 /nfs/dbraw/zinc/68/69/25/359686925.db2.gz IWQHAMDOMHFQDW-SWLSCSKDSA-N 1 2 281.400 1.540 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC000178026291 189086221 /nfs/dbraw/zinc/08/62/21/189086221.db2.gz NQWNOUKBEQPGIO-CVEARBPZSA-N 1 2 289.375 1.913 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC000178026291 189086222 /nfs/dbraw/zinc/08/62/22/189086222.db2.gz NQWNOUKBEQPGIO-CVEARBPZSA-N 1 2 289.375 1.913 20 30 CDEDLO COCCn1cc(C[N@H+](CCC#N)C(C)C)cn1 ZINC000535786011 361119568 /nfs/dbraw/zinc/11/95/68/361119568.db2.gz XGARVPWLRSLKLP-UHFFFAOYSA-N 1 2 250.346 1.654 20 30 CDEDLO COCCn1cc(C[N@@H+](CCC#N)C(C)C)cn1 ZINC000535786011 361119569 /nfs/dbraw/zinc/11/95/69/361119569.db2.gz XGARVPWLRSLKLP-UHFFFAOYSA-N 1 2 250.346 1.654 20 30 CDEDLO CN(C[C@](C)(O)C[N@H+](C)CCC#N)C(=O)OC(C)(C)C ZINC000496175818 366688121 /nfs/dbraw/zinc/68/81/21/366688121.db2.gz ZMWPCRWVMAQJFC-CQSZACIVSA-N 1 2 285.388 1.450 20 30 CDEDLO CN(C[C@](C)(O)C[N@@H+](C)CCC#N)C(=O)OC(C)(C)C ZINC000496175818 366688131 /nfs/dbraw/zinc/68/81/31/366688131.db2.gz ZMWPCRWVMAQJFC-CQSZACIVSA-N 1 2 285.388 1.450 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccn(C)n2)[C@@H]1C ZINC000994422173 781945542 /nfs/dbraw/zinc/94/55/42/781945542.db2.gz BQHNEQBGERQVQT-NWDGAFQWSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccn(C)n2)[C@@H]1C ZINC000994422173 781945557 /nfs/dbraw/zinc/94/55/57/781945557.db2.gz BQHNEQBGERQVQT-NWDGAFQWSA-N 1 2 296.802 1.755 20 30 CDEDLO CN(CC[NH+]1CCOCC1)Cc1cccc(C#N)c1F ZINC000340909564 363858995 /nfs/dbraw/zinc/85/89/95/363858995.db2.gz ZTIVPFFKQXHBGG-UHFFFAOYSA-N 1 2 277.343 1.461 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000161958046 364562548 /nfs/dbraw/zinc/56/25/48/364562548.db2.gz VZAMCWSDVOKAOP-NSHDSACASA-N 1 2 271.320 1.517 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000161958046 364562557 /nfs/dbraw/zinc/56/25/57/364562557.db2.gz VZAMCWSDVOKAOP-NSHDSACASA-N 1 2 271.320 1.517 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](O)C1 ZINC000042259837 364552928 /nfs/dbraw/zinc/55/29/28/364552928.db2.gz DYHKBXXQGFHTGD-YPMHNXCESA-N 1 2 273.336 1.342 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](O)C1 ZINC000042259837 364552933 /nfs/dbraw/zinc/55/29/33/364552933.db2.gz DYHKBXXQGFHTGD-YPMHNXCESA-N 1 2 273.336 1.342 20 30 CDEDLO N#CC1(C[NH2+]Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000563930481 364744290 /nfs/dbraw/zinc/74/42/90/364744290.db2.gz XMBYGYHRPAURIA-UHFFFAOYSA-N 1 2 258.247 1.839 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3nccs3)CC2)nc1 ZINC000573060796 364883189 /nfs/dbraw/zinc/88/31/89/364883189.db2.gz NDWCCNASXVBFFP-UHFFFAOYSA-N 1 2 285.376 1.732 20 30 CDEDLO N#Cc1cnc(N2CC[NH+](Cc3ccncc3)CC2)c(F)c1 ZINC000413025355 240483056 /nfs/dbraw/zinc/48/30/56/240483056.db2.gz GRNYXKUGQKNDKN-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO N#CCC1(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000566663074 370786283 /nfs/dbraw/zinc/78/62/83/370786283.db2.gz XHNVMOMCKLEEIF-NSHDSACASA-N 1 2 273.340 1.191 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000275677934 193103401 /nfs/dbraw/zinc/10/34/01/193103401.db2.gz GWDDVSOVDVGRJD-TZMCWYRMSA-N 1 2 265.357 1.617 20 30 CDEDLO C=CC[C@@H](C)NC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000354090226 365408849 /nfs/dbraw/zinc/40/88/49/365408849.db2.gz BIQXOMDOAUUUFM-OLZOCXBDSA-N 1 2 291.399 1.763 20 30 CDEDLO C[C@@H]([NH2+]Cc1ncn(C)n1)c1ccc(C#N)c(F)c1 ZINC000271972334 367045751 /nfs/dbraw/zinc/04/57/51/367045751.db2.gz UQGGAEBGSOMGGT-SECBINFHSA-N 1 2 259.288 1.677 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C#N)cc1OC ZINC000121625209 367060083 /nfs/dbraw/zinc/06/00/83/367060083.db2.gz WXZCTQGYOHARSS-AWEZNQCLSA-N 1 2 287.363 1.667 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C#N)cc1OC ZINC000121625209 367060085 /nfs/dbraw/zinc/06/00/85/367060085.db2.gz WXZCTQGYOHARSS-AWEZNQCLSA-N 1 2 287.363 1.667 20 30 CDEDLO Cn1[nH]c(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)nc1=O ZINC000347388456 370853512 /nfs/dbraw/zinc/85/35/12/370853512.db2.gz CQIJMRPLKGVUJT-UHFFFAOYSA-N 1 2 283.335 1.145 20 30 CDEDLO Cn1[nH]c(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)nc1=O ZINC000347388456 370853519 /nfs/dbraw/zinc/85/35/19/370853519.db2.gz CQIJMRPLKGVUJT-UHFFFAOYSA-N 1 2 283.335 1.145 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000357789645 367210454 /nfs/dbraw/zinc/21/04/54/367210454.db2.gz DRMDEGFLMFUOAP-ZWNOBZJWSA-N 1 2 286.310 1.924 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528479373 367856255 /nfs/dbraw/zinc/85/62/55/367856255.db2.gz WTXYBHUZERVJKO-CYBMUJFWSA-N 1 2 298.342 1.007 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528479373 367856259 /nfs/dbraw/zinc/85/62/59/367856259.db2.gz WTXYBHUZERVJKO-CYBMUJFWSA-N 1 2 298.342 1.007 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)CN1CCOC1=S ZINC000065942993 368337211 /nfs/dbraw/zinc/33/72/11/368337211.db2.gz JIWHQGWSKLIMGX-UHFFFAOYSA-N 1 2 278.352 1.836 20 30 CDEDLO C#CC[N@H+](Cc1ccc(F)cc1)CN1CCOC1=S ZINC000065942993 368337215 /nfs/dbraw/zinc/33/72/15/368337215.db2.gz JIWHQGWSKLIMGX-UHFFFAOYSA-N 1 2 278.352 1.836 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NC(=O)Nc1cccc(C)c1C ZINC000072906149 369147641 /nfs/dbraw/zinc/14/76/41/369147641.db2.gz KAZHQPZXSMFHLQ-UHFFFAOYSA-N 1 2 297.358 1.520 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCCCCn1cc[nH+]c1 ZINC000565392272 370434892 /nfs/dbraw/zinc/43/48/92/370434892.db2.gz FDUAAAVKYHKOSJ-ZDUSSCGKSA-N 1 2 251.330 1.107 20 30 CDEDLO C#CC[N@@H+](Cc1nc(CCOC)no1)C1CCCC1 ZINC000155746254 371021599 /nfs/dbraw/zinc/02/15/99/371021599.db2.gz PDHTYETZSQLCEY-UHFFFAOYSA-N 1 2 263.341 1.636 20 30 CDEDLO C#CC[N@H+](Cc1nc(CCOC)no1)C1CCCC1 ZINC000155746254 371021606 /nfs/dbraw/zinc/02/16/06/371021606.db2.gz PDHTYETZSQLCEY-UHFFFAOYSA-N 1 2 263.341 1.636 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000295062024 371125022 /nfs/dbraw/zinc/12/50/22/371125022.db2.gz YVFAABJHGPVFRN-UHFFFAOYSA-N 1 2 274.368 1.646 20 30 CDEDLO C=CCC[C@H](CO)Nc1nc(N)c2ccccc2[nH+]1 ZINC000574149760 371697781 /nfs/dbraw/zinc/69/77/81/371697781.db2.gz WVBUWHGBKNXULM-SNVBAGLBSA-N 1 2 258.325 1.203 20 30 CDEDLO Cc1ccc(NC(=O)C(=O)NCC2(C#N)CC2)c(C)[nH+]1 ZINC000582463279 372301293 /nfs/dbraw/zinc/30/12/93/372301293.db2.gz LFQJORLUIJOKRD-UHFFFAOYSA-N 1 2 272.308 1.057 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000172745510 372412476 /nfs/dbraw/zinc/41/24/76/372412476.db2.gz XPOKVFUIJLDXDP-UHFFFAOYSA-N 1 2 272.348 1.476 20 30 CDEDLO C=C(C)[C@H](CC(=O)N[C@H](C)c1[nH]cc[nH+]1)OCC ZINC000578378531 372440273 /nfs/dbraw/zinc/44/02/73/372440273.db2.gz HPQQKTCXNAEQGQ-MNOVXSKESA-N 1 2 251.330 1.958 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000579355044 372558345 /nfs/dbraw/zinc/55/83/45/372558345.db2.gz UCQGTSLVKSDINA-GFCCVEGCSA-N 1 2 254.297 1.383 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N(C)Cc1ccccc1OC ZINC000174526094 372594859 /nfs/dbraw/zinc/59/48/59/372594859.db2.gz UCXNYHHLONXGIR-UHFFFAOYSA-N 1 2 284.359 1.222 20 30 CDEDLO N#Cc1csc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)c1 ZINC000348571897 373295882 /nfs/dbraw/zinc/29/58/82/373295882.db2.gz DBSFLDPJRKPEMA-UONOGXRCSA-N 1 2 278.377 2.000 20 30 CDEDLO N#Cc1csc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)c1 ZINC000348571897 373295892 /nfs/dbraw/zinc/29/58/92/373295892.db2.gz DBSFLDPJRKPEMA-UONOGXRCSA-N 1 2 278.377 2.000 20 30 CDEDLO Cn1cc(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)cn1 ZINC000192052060 373578594 /nfs/dbraw/zinc/57/85/94/373578594.db2.gz JARFWJDHSGETLQ-UHFFFAOYSA-N 1 2 299.353 1.753 20 30 CDEDLO C[C@@H]1CCN(C(=O)c2cnn(C)c2C#N)C[C@H]1n1cc[nH+]c1 ZINC000356428148 373848696 /nfs/dbraw/zinc/84/86/96/373848696.db2.gz KXBYHJAXZBQQBJ-BXUZGUMPSA-N 1 2 298.350 1.212 20 30 CDEDLO Cn1ccnc1C[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000299717913 373922845 /nfs/dbraw/zinc/92/28/45/373922845.db2.gz RVTOTSCXJIMFKM-UHFFFAOYSA-N 1 2 297.362 1.752 20 30 CDEDLO Cn1ccnc1C[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000299717913 373922858 /nfs/dbraw/zinc/92/28/58/373922858.db2.gz RVTOTSCXJIMFKM-UHFFFAOYSA-N 1 2 297.362 1.752 20 30 CDEDLO Cn1ncc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000289537392 197394709 /nfs/dbraw/zinc/39/47/09/197394709.db2.gz CHGLETLEACIVPN-UHFFFAOYSA-N 1 2 297.362 1.730 20 30 CDEDLO C[C@H](C(=O)NCc1[nH+]ccn1C)c1cccc(C#N)c1 ZINC000360140644 374003072 /nfs/dbraw/zinc/00/30/72/374003072.db2.gz IOQZOWYULXALMQ-NSHDSACASA-N 1 2 268.320 1.712 20 30 CDEDLO N#C[C@@H]1CN(c2cc[nH+]c3c(O)cccc23)CCO1 ZINC000619480321 373966353 /nfs/dbraw/zinc/96/63/53/373966353.db2.gz BWVFSCKDGGWBBD-SNVBAGLBSA-N 1 2 255.277 1.669 20 30 CDEDLO COC(=O)c1cccc(C[NH2+][C@H](C)c2ccn(C)n2)c1C#N ZINC000516006221 374171726 /nfs/dbraw/zinc/17/17/26/374171726.db2.gz QEUIFOQVAZYXTC-LLVKDONJSA-N 1 2 298.346 1.929 20 30 CDEDLO C[C@H]1C[N@H+](CCNc2ccc(C#N)cc2F)CCO1 ZINC000523463103 374277429 /nfs/dbraw/zinc/27/74/29/374277429.db2.gz LNNKQMVINOGDLW-NSHDSACASA-N 1 2 263.316 1.830 20 30 CDEDLO C[C@H]1C[N@@H+](CCNc2ccc(C#N)cc2F)CCO1 ZINC000523463103 374277435 /nfs/dbraw/zinc/27/74/35/374277435.db2.gz LNNKQMVINOGDLW-NSHDSACASA-N 1 2 263.316 1.830 20 30 CDEDLO C=CCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000661569689 541911117 /nfs/dbraw/zinc/91/11/17/541911117.db2.gz RZJCEKBSMGDQGE-OLZOCXBDSA-N 1 2 267.373 1.067 20 30 CDEDLO N#Cc1ccc(F)c(CNC(=O)NCCn2cc[nH+]c2)c1 ZINC000080617644 374474283 /nfs/dbraw/zinc/47/42/83/374474283.db2.gz LKMKZJIUJZFMQW-UHFFFAOYSA-N 1 2 287.298 1.393 20 30 CDEDLO N#Cc1cccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000376715211 374566442 /nfs/dbraw/zinc/56/64/42/374566442.db2.gz KCNNYQBYXCUUSM-GFCCVEGCSA-N 1 2 266.304 1.956 20 30 CDEDLO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC000279715533 374951624 /nfs/dbraw/zinc/95/16/24/374951624.db2.gz KXCQMNHWIOHMKY-ZDUSSCGKSA-N 1 2 291.370 1.850 20 30 CDEDLO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000279715533 374951631 /nfs/dbraw/zinc/95/16/31/374951631.db2.gz KXCQMNHWIOHMKY-ZDUSSCGKSA-N 1 2 291.370 1.850 20 30 CDEDLO N#Cc1ccc(Cl)c(C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000334303273 375116460 /nfs/dbraw/zinc/11/64/60/375116460.db2.gz FOJCOSLVVAFACA-UHFFFAOYSA-N 1 2 260.684 1.865 20 30 CDEDLO N#Cc1ccc(Cl)c(C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000334303273 375116467 /nfs/dbraw/zinc/11/64/67/375116467.db2.gz FOJCOSLVVAFACA-UHFFFAOYSA-N 1 2 260.684 1.865 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000048433445 375311718 /nfs/dbraw/zinc/31/17/18/375311718.db2.gz ZYQJRRKNUFCCKK-ZFWWWQNUSA-N 1 2 274.364 1.751 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000048433445 375311724 /nfs/dbraw/zinc/31/17/24/375311724.db2.gz ZYQJRRKNUFCCKK-ZFWWWQNUSA-N 1 2 274.364 1.751 20 30 CDEDLO COC(=O)C[N@H+](Cc1cc(C#N)ccc1OC)C(C)C ZINC000131752261 375334859 /nfs/dbraw/zinc/33/48/59/375334859.db2.gz LFSBFJFAMRSQMM-UHFFFAOYSA-N 1 2 276.336 1.950 20 30 CDEDLO COC(=O)C[N@@H+](Cc1cc(C#N)ccc1OC)C(C)C ZINC000131752261 375334862 /nfs/dbraw/zinc/33/48/62/375334862.db2.gz LFSBFJFAMRSQMM-UHFFFAOYSA-N 1 2 276.336 1.950 20 30 CDEDLO O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1CCn2cc[nH+]c2C1 ZINC000328814387 375961342 /nfs/dbraw/zinc/96/13/42/375961342.db2.gz CCBIIHUXZPDMQN-DGCLKSJQSA-N 1 2 276.340 1.180 20 30 CDEDLO CC1(C)SC[C@@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000328743519 375942771 /nfs/dbraw/zinc/94/27/71/375942771.db2.gz JZSWCCAZVIGFIM-VIFPVBQESA-N 1 2 266.370 1.507 20 30 CDEDLO C=CCC[C@H]1NC(=O)N([C@@H](C)c2[nH+]ccn2CC)C1=O ZINC000420026139 376238463 /nfs/dbraw/zinc/23/84/63/376238463.db2.gz ZSJLZYQWSNMPCM-WDEREUQCSA-N 1 2 276.340 1.851 20 30 CDEDLO C=C(C)CS(=O)(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420704398 376383084 /nfs/dbraw/zinc/38/30/84/376383084.db2.gz WJSAWNGCHQCLPL-UHFFFAOYSA-N 1 2 254.355 1.694 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1cccc(C#N)c1F ZINC000434714226 248134231 /nfs/dbraw/zinc/13/42/31/248134231.db2.gz OHDYUHLVTNPFAZ-ZDUSSCGKSA-N 1 2 291.370 1.850 20 30 CDEDLO C[C@@H]1CSCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000172591568 377633991 /nfs/dbraw/zinc/63/39/91/377633991.db2.gz IDNQSPCNHOQXIE-GFCCVEGCSA-N 1 2 281.425 1.766 20 30 CDEDLO C[C@@H]1CSCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000172591568 377634000 /nfs/dbraw/zinc/63/40/00/377634000.db2.gz IDNQSPCNHOQXIE-GFCCVEGCSA-N 1 2 281.425 1.766 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290006547 377736442 /nfs/dbraw/zinc/73/64/42/377736442.db2.gz UDTDKTABTRSELU-LLVKDONJSA-N 1 2 268.748 1.086 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290006547 377736450 /nfs/dbraw/zinc/73/64/50/377736450.db2.gz UDTDKTABTRSELU-LLVKDONJSA-N 1 2 268.748 1.086 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](CC)C[C@@H](O)C(F)(F)F)C1=O ZINC000281222198 377992365 /nfs/dbraw/zinc/99/23/65/377992365.db2.gz DVZQCIHHSFXGKG-NXEZZACHSA-N 1 2 280.290 1.018 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](CC)C[C@@H](O)C(F)(F)F)C1=O ZINC000281222198 377992368 /nfs/dbraw/zinc/99/23/68/377992368.db2.gz DVZQCIHHSFXGKG-NXEZZACHSA-N 1 2 280.290 1.018 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCCc1ccc(OC(C)C)cc1 ZINC000192238722 378177585 /nfs/dbraw/zinc/17/75/85/378177585.db2.gz WRAOOSYDVIISRP-UHFFFAOYSA-N 1 2 288.391 1.698 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCCc1ccc(OC(C)C)cc1 ZINC000192238722 378177590 /nfs/dbraw/zinc/17/75/90/378177590.db2.gz WRAOOSYDVIISRP-UHFFFAOYSA-N 1 2 288.391 1.698 20 30 CDEDLO C#CCOc1ccccc1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000289997145 378357628 /nfs/dbraw/zinc/35/76/28/378357628.db2.gz YUAPALVAJKXQQO-UHFFFAOYSA-N 1 2 296.330 1.943 20 30 CDEDLO C#CCCOc1ccc(C[N@@H+](C)Cc2nncn2C)cc1 ZINC000290277543 378370467 /nfs/dbraw/zinc/37/04/67/378370467.db2.gz YRAAKMSREFUICP-UHFFFAOYSA-N 1 2 284.363 1.849 20 30 CDEDLO C#CCCOc1ccc(C[N@H+](C)Cc2nncn2C)cc1 ZINC000290277543 378370472 /nfs/dbraw/zinc/37/04/72/378370472.db2.gz YRAAKMSREFUICP-UHFFFAOYSA-N 1 2 284.363 1.849 20 30 CDEDLO C=C[C@@H](CO)Nc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000290540784 378388472 /nfs/dbraw/zinc/38/84/72/378388472.db2.gz ALKVPEPIAOOVHL-VIFPVBQESA-N 1 2 251.334 1.020 20 30 CDEDLO C=C[C@@H](CO)Nc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000290540784 378388478 /nfs/dbraw/zinc/38/84/78/378388478.db2.gz ALKVPEPIAOOVHL-VIFPVBQESA-N 1 2 251.334 1.020 20 30 CDEDLO C#C[C@@H](NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C)C(C)(C)C ZINC000291796293 378478322 /nfs/dbraw/zinc/47/83/22/378478322.db2.gz WQICURWFUKBJMW-CHWSQXEVSA-N 1 2 276.384 1.187 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000097062674 378482998 /nfs/dbraw/zinc/48/29/98/378482998.db2.gz JGBJQWKGWZACAL-CQSZACIVSA-N 1 2 296.374 1.442 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000097062674 378483006 /nfs/dbraw/zinc/48/30/06/378483006.db2.gz JGBJQWKGWZACAL-CQSZACIVSA-N 1 2 296.374 1.442 20 30 CDEDLO C#C[C@@H](C)NC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000185961680 378830685 /nfs/dbraw/zinc/83/06/85/378830685.db2.gz UZXQUBMBUAPQOD-CQSZACIVSA-N 1 2 296.374 1.947 20 30 CDEDLO C=CCCC1(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000343371329 378858673 /nfs/dbraw/zinc/85/86/73/378858673.db2.gz VKDGBTCDNFLADV-AWEZNQCLSA-N 1 2 278.396 1.712 20 30 CDEDLO C=CCCC1(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000343371329 378858678 /nfs/dbraw/zinc/85/86/78/378858678.db2.gz VKDGBTCDNFLADV-AWEZNQCLSA-N 1 2 278.396 1.712 20 30 CDEDLO N#CCCN(CCC#N)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000366834205 378932807 /nfs/dbraw/zinc/93/28/07/378932807.db2.gz LHOHZYYJFMFLQS-NSHDSACASA-N 1 2 271.324 1.486 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000278625484 194074641 /nfs/dbraw/zinc/07/46/41/194074641.db2.gz MUCPPRBSNBTMST-OAHLLOKOSA-N 1 2 273.336 1.320 20 30 CDEDLO Cc1ccc2[nH+]c(CNC(=O)C3(C#N)CCOCC3)cn2c1 ZINC000344376742 379603467 /nfs/dbraw/zinc/60/34/67/379603467.db2.gz GOJRVLCHHROBKC-UHFFFAOYSA-N 1 2 298.346 1.579 20 30 CDEDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000042294824 379559741 /nfs/dbraw/zinc/55/97/41/379559741.db2.gz DFSQAERUAYEERB-CYBMUJFWSA-N 1 2 261.300 1.408 20 30 CDEDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000042294824 379559745 /nfs/dbraw/zinc/55/97/45/379559745.db2.gz DFSQAERUAYEERB-CYBMUJFWSA-N 1 2 261.300 1.408 20 30 CDEDLO N#Cc1cccc(/C=C/C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000492693033 253273961 /nfs/dbraw/zinc/27/39/61/253273961.db2.gz WQTCKOVEJJPQFU-MBVDDHJVSA-N 1 2 292.342 1.899 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000336488038 533110610 /nfs/dbraw/zinc/11/06/10/533110610.db2.gz VFYJLUVVJCYBLR-NWDGAFQWSA-N 1 2 260.341 1.361 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccnn2C(C)C)C1=O ZINC000281188402 195141217 /nfs/dbraw/zinc/14/12/17/195141217.db2.gz IFXGWSZYVWVJIP-CQSZACIVSA-N 1 2 276.384 1.683 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccnn2C(C)C)C1=O ZINC000281188402 195141220 /nfs/dbraw/zinc/14/12/20/195141220.db2.gz IFXGWSZYVWVJIP-CQSZACIVSA-N 1 2 276.384 1.683 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc(C#N)c(N)n1)CCC2 ZINC000516784878 260024855 /nfs/dbraw/zinc/02/48/55/260024855.db2.gz CGTVEGUZJKBUNO-LBPRGKRZSA-N 1 2 282.351 1.452 20 30 CDEDLO Cc1nc(N[C@H]2CCN(C(=O)C#CC3CC3)[C@H](C)C2)cc[nH+]1 ZINC001064770541 781983523 /nfs/dbraw/zinc/98/35/23/781983523.db2.gz SZFGIUQRTXBGMH-DOMZBBRYSA-N 1 2 298.390 1.990 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](Nc2nnc(COC)s2)C1 ZINC000884612766 781987682 /nfs/dbraw/zinc/98/76/82/781987682.db2.gz TUGQQYYLCNWOTD-JTQLQIEISA-N 1 2 266.370 1.194 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](Nc2nnc(COC)s2)C1 ZINC000884612766 781987692 /nfs/dbraw/zinc/98/76/92/781987692.db2.gz TUGQQYYLCNWOTD-JTQLQIEISA-N 1 2 266.370 1.194 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)C3(C#N)CCCCC3)C[C@@H]21 ZINC000152023918 390543275 /nfs/dbraw/zinc/54/32/75/390543275.db2.gz LXUXTJUTCADPAT-STQMWFEESA-N 1 2 277.368 1.002 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)C3(C#N)CCCCC3)C[C@@H]21 ZINC000152023918 390543281 /nfs/dbraw/zinc/54/32/81/390543281.db2.gz LXUXTJUTCADPAT-STQMWFEESA-N 1 2 277.368 1.002 20 30 CDEDLO N#Cc1c(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)cn2ccccc12 ZINC000175912495 390667073 /nfs/dbraw/zinc/66/70/73/390667073.db2.gz KLNCLXSDMHXSOU-ZDUSSCGKSA-N 1 2 295.346 1.020 20 30 CDEDLO N#Cc1c(C[N@H+]2CCN3C(=O)NC[C@H]3C2)cn2ccccc12 ZINC000175912495 390667077 /nfs/dbraw/zinc/66/70/77/390667077.db2.gz KLNCLXSDMHXSOU-ZDUSSCGKSA-N 1 2 295.346 1.020 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368143259 390860209 /nfs/dbraw/zinc/86/02/09/390860209.db2.gz RWQRHSAJQUAGHK-UKRRQHHQSA-N 1 2 295.427 1.894 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368143259 390860211 /nfs/dbraw/zinc/86/02/11/390860211.db2.gz RWQRHSAJQUAGHK-UKRRQHHQSA-N 1 2 295.427 1.894 20 30 CDEDLO NC(CCO)=[NH+]OCc1cc(-c2ccco2)on1 ZINC000136065383 390941033 /nfs/dbraw/zinc/94/10/33/390941033.db2.gz RMEIGXGZFCKBOH-UHFFFAOYSA-N 1 2 251.242 1.106 20 30 CDEDLO CCS[C@H](C)c1noc(CO[NH+]=C(N)CCO)n1 ZINC000121399832 390885372 /nfs/dbraw/zinc/88/53/72/390885372.db2.gz JEVZUYHXDICOJQ-SSDOTTSWSA-N 1 2 274.346 1.055 20 30 CDEDLO N#CC1CC[NH+](CC(=O)NCCOc2ccccc2)CC1 ZINC000142069853 390908368 /nfs/dbraw/zinc/90/83/68/390908368.db2.gz OBQCTCJFISPWOC-UHFFFAOYSA-N 1 2 287.363 1.417 20 30 CDEDLO N#C[C@@H](CCc1ccccc1)C(=O)N1CCn2c[nH+]cc2C1 ZINC000427499149 390915669 /nfs/dbraw/zinc/91/56/69/390915669.db2.gz HWJXFVHDRSTNCW-OAHLLOKOSA-N 1 2 294.358 1.998 20 30 CDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1CCCCC[C@H]1O ZINC000329537052 391007718 /nfs/dbraw/zinc/00/77/18/391007718.db2.gz MCNHFHOGPDVPFK-YNEHKIRRSA-N 1 2 292.383 1.395 20 30 CDEDLO [O-]C(N[C@@H]1CCCCC[C@H]1O)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000329537052 391007721 /nfs/dbraw/zinc/00/77/21/391007721.db2.gz MCNHFHOGPDVPFK-YNEHKIRRSA-N 1 2 292.383 1.395 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C ZINC000292114883 391008818 /nfs/dbraw/zinc/00/88/18/391008818.db2.gz JNCIYTIHDHLYCD-NXEZZACHSA-N 1 2 262.275 1.541 20 30 CDEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C ZINC000292114883 391008820 /nfs/dbraw/zinc/00/88/20/391008820.db2.gz JNCIYTIHDHLYCD-NXEZZACHSA-N 1 2 262.275 1.541 20 30 CDEDLO N#CC1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCSCC1 ZINC000373729490 391129289 /nfs/dbraw/zinc/12/92/89/391129289.db2.gz RRGJXKIQFFSGBM-NSHDSACASA-N 1 2 290.392 1.351 20 30 CDEDLO Cc1cnc(CO[NH+]=C(N)[C@H](C)OCC(C)C)o1 ZINC000266200484 391170827 /nfs/dbraw/zinc/17/08/27/391170827.db2.gz LEGOLNLYVBCRDX-JTQLQIEISA-N 1 2 255.318 1.833 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@H](O)c1ccc(Cl)cc1 ZINC000491629286 391169362 /nfs/dbraw/zinc/16/93/62/391169362.db2.gz OBCZMCPTFUMDKG-KBPBESRZSA-N 1 2 265.740 1.707 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](O)c1ccc(Cl)cc1 ZINC000491629286 391169365 /nfs/dbraw/zinc/16/93/65/391169365.db2.gz OBCZMCPTFUMDKG-KBPBESRZSA-N 1 2 265.740 1.707 20 30 CDEDLO CC[C@H](C)NC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000178977975 391194203 /nfs/dbraw/zinc/19/42/03/391194203.db2.gz FZYIIMJJDKNSSA-JTQLQIEISA-N 1 2 291.351 1.173 20 30 CDEDLO N#CCN1CCN(Cc2c[nH+]c3ccc(Cl)cn23)CC1 ZINC000271158183 391289612 /nfs/dbraw/zinc/28/96/12/391289612.db2.gz OFHGSUQMERAVIK-UHFFFAOYSA-N 1 2 289.770 1.629 20 30 CDEDLO C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](C)N(C)[C@H](C)C1 ZINC000339628049 391318282 /nfs/dbraw/zinc/31/82/82/391318282.db2.gz GAZVVGQONPHOEB-ZIAGYGMSSA-N 1 2 265.401 1.211 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCC(=O)c1cccs1 ZINC000339752046 391346097 /nfs/dbraw/zinc/34/60/97/391346097.db2.gz IHTQPLGESWMSNL-UHFFFAOYSA-N 1 2 264.350 1.002 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCC(=O)c1cccs1 ZINC000339752046 391346099 /nfs/dbraw/zinc/34/60/99/391346099.db2.gz IHTQPLGESWMSNL-UHFFFAOYSA-N 1 2 264.350 1.002 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000339765027 391354042 /nfs/dbraw/zinc/35/40/42/391354042.db2.gz YFGDIZCMPQYJLC-UHFFFAOYSA-N 1 2 276.336 1.597 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000339765027 391354044 /nfs/dbraw/zinc/35/40/44/391354044.db2.gz YFGDIZCMPQYJLC-UHFFFAOYSA-N 1 2 276.336 1.597 20 30 CDEDLO C[C@@]1(F)CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000335326622 391419272 /nfs/dbraw/zinc/41/92/72/391419272.db2.gz GXRVKXXBTVWUGZ-CYBMUJFWSA-N 1 2 267.348 1.763 20 30 CDEDLO C[C@@]1(F)CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000335326622 391419277 /nfs/dbraw/zinc/41/92/77/391419277.db2.gz GXRVKXXBTVWUGZ-CYBMUJFWSA-N 1 2 267.348 1.763 20 30 CDEDLO Cc1ccc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)c(C)c1 ZINC000330453571 391424116 /nfs/dbraw/zinc/42/41/16/391424116.db2.gz LKXPQESNMOZSJI-CQSZACIVSA-N 1 2 292.379 1.301 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000330565658 391448003 /nfs/dbraw/zinc/44/80/03/391448003.db2.gz KUZXGBHYROKHBP-JHJVBQTASA-N 1 2 272.352 1.572 20 30 CDEDLO Cc1cccc(CN(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000348633786 391448488 /nfs/dbraw/zinc/44/84/88/391448488.db2.gz LIOFFYQQNCVPCP-UHFFFAOYSA-N 1 2 288.395 1.438 20 30 CDEDLO N#CC1(CC[N@H+]2CCSC[C@H]2C(N)=O)CCCCC1 ZINC000411430663 391450485 /nfs/dbraw/zinc/45/04/85/391450485.db2.gz TVUAYZTZQRTAGU-LBPRGKRZSA-N 1 2 281.425 1.753 20 30 CDEDLO N#CC1(CC[N@@H+]2CCSC[C@H]2C(N)=O)CCCCC1 ZINC000411430663 391450486 /nfs/dbraw/zinc/45/04/86/391450486.db2.gz TVUAYZTZQRTAGU-LBPRGKRZSA-N 1 2 281.425 1.753 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000355347328 391451112 /nfs/dbraw/zinc/45/11/12/391451112.db2.gz MLUFPIOKJPQTRN-DOMZBBRYSA-N 1 2 277.368 1.512 20 30 CDEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)CC#N)cc1 ZINC000355375570 391451501 /nfs/dbraw/zinc/45/15/01/391451501.db2.gz DSTRVWQXBDXVNT-OAHLLOKOSA-N 1 2 287.363 1.398 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)Cc1[nH+]ccn1C ZINC000330598819 391452510 /nfs/dbraw/zinc/45/25/10/391452510.db2.gz WRDDMEWTJQPLRC-WFASDCNBSA-N 1 2 291.399 1.295 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cnn(C(C)(C)C)c1 ZINC000330622458 391460599 /nfs/dbraw/zinc/46/05/99/391460599.db2.gz NVIMYPREVGSJRK-LBPRGKRZSA-N 1 2 294.399 1.663 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cnn(C(C)(C)C)c1 ZINC000330622458 391460601 /nfs/dbraw/zinc/46/06/01/391460601.db2.gz NVIMYPREVGSJRK-LBPRGKRZSA-N 1 2 294.399 1.663 20 30 CDEDLO CC(C)n1cc[nH+]c1CN(C)CCNC(=O)N(C)C ZINC000330622907 391460833 /nfs/dbraw/zinc/46/08/33/391460833.db2.gz OSJMKSIWUGTLNT-UHFFFAOYSA-N 1 2 267.377 1.371 20 30 CDEDLO CC(C)n1ccnc1C[N@H+](C)CCNC(=O)N(C)C ZINC000330622907 391460835 /nfs/dbraw/zinc/46/08/35/391460835.db2.gz OSJMKSIWUGTLNT-UHFFFAOYSA-N 1 2 267.377 1.371 20 30 CDEDLO CC(C)n1ccnc1C[N@@H+](C)CCNC(=O)N(C)C ZINC000330622907 391460836 /nfs/dbraw/zinc/46/08/36/391460836.db2.gz OSJMKSIWUGTLNT-UHFFFAOYSA-N 1 2 267.377 1.371 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](O)CC1 ZINC000293350643 391507336 /nfs/dbraw/zinc/50/73/36/391507336.db2.gz ZHXNRTULAYPWSJ-HUUCEWRRSA-N 1 2 288.347 1.619 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](O)CC1 ZINC000293350643 391507339 /nfs/dbraw/zinc/50/73/39/391507339.db2.gz ZHXNRTULAYPWSJ-HUUCEWRRSA-N 1 2 288.347 1.619 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000253605156 391589869 /nfs/dbraw/zinc/58/98/69/391589869.db2.gz BJNOVEWCQFLKCA-NSHDSACASA-N 1 2 251.351 1.716 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000253605156 391589870 /nfs/dbraw/zinc/58/98/70/391589870.db2.gz BJNOVEWCQFLKCA-NSHDSACASA-N 1 2 251.351 1.716 20 30 CDEDLO CC#CCNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000190113131 130061015 /nfs/dbraw/zinc/06/10/15/130061015.db2.gz CCYDMTZTDSNHBD-UHFFFAOYSA-N 1 2 288.351 1.371 20 30 CDEDLO C[C@@H]1OCC[C@]1(C)[NH+]=C([O-])N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329724471 391758870 /nfs/dbraw/zinc/75/88/70/391758870.db2.gz FXGAJCGUTLYUBD-RBZYPMLTSA-N 1 2 278.356 1.338 20 30 CDEDLO C[C@@H]1OCC[C@]1(C)[NH+]=C([O-])N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329724471 391758876 /nfs/dbraw/zinc/75/88/76/391758876.db2.gz FXGAJCGUTLYUBD-RBZYPMLTSA-N 1 2 278.356 1.338 20 30 CDEDLO Cn1cc(C[N@H+](CC(N)=O)Cc2ccccc2)cc1C#N ZINC000191353986 130224677 /nfs/dbraw/zinc/22/46/77/130224677.db2.gz UNMAASMKYDONFS-UHFFFAOYSA-N 1 2 282.347 1.384 20 30 CDEDLO Cn1cc(C[N@@H+](CC(N)=O)Cc2ccccc2)cc1C#N ZINC000191353986 130224681 /nfs/dbraw/zinc/22/46/81/130224681.db2.gz UNMAASMKYDONFS-UHFFFAOYSA-N 1 2 282.347 1.384 20 30 CDEDLO CCc1csc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)n1 ZINC000329945274 391804712 /nfs/dbraw/zinc/80/47/12/391804712.db2.gz XEYPIBJJMHQIOV-MNOVXSKESA-N 1 2 296.396 1.266 20 30 CDEDLO CCc1csc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)n1 ZINC000329945274 391804716 /nfs/dbraw/zinc/80/47/16/391804716.db2.gz XEYPIBJJMHQIOV-MNOVXSKESA-N 1 2 296.396 1.266 20 30 CDEDLO Cc1ocnc1CNC([O-])=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329907722 391797559 /nfs/dbraw/zinc/79/75/59/391797559.db2.gz TYLTYRMPYBBDKF-NSHDSACASA-N 1 2 289.339 1.446 20 30 CDEDLO CCN1CCN(CC(=O)NCC2CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329915641 391798448 /nfs/dbraw/zinc/79/84/48/391798448.db2.gz PUQXWJCIFVQGHL-CYBMUJFWSA-N 1 2 291.399 1.455 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1O ZINC000442670952 392447547 /nfs/dbraw/zinc/44/75/47/392447547.db2.gz KKUJIZLACOPWOT-GFCCVEGCSA-N 1 2 282.303 1.964 20 30 CDEDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488165792 392530472 /nfs/dbraw/zinc/53/04/72/392530472.db2.gz IDQOVRLWIIADRN-OAHLLOKOSA-N 1 2 271.364 1.967 20 30 CDEDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488165792 392530479 /nfs/dbraw/zinc/53/04/79/392530479.db2.gz IDQOVRLWIIADRN-OAHLLOKOSA-N 1 2 271.364 1.967 20 30 CDEDLO C=C[C@H](O)C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000646584182 392580604 /nfs/dbraw/zinc/58/06/04/392580604.db2.gz LUJKONYEXFERLX-AWEZNQCLSA-N 1 2 294.782 1.531 20 30 CDEDLO C=C[C@@H](O)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000646627627 392602359 /nfs/dbraw/zinc/60/23/59/392602359.db2.gz XZQWHGDVMWFIEY-CHWSQXEVSA-N 1 2 289.310 1.312 20 30 CDEDLO Cc1cc(NCc2nncn2C2CC2)c(C#N)c[nH+]1 ZINC000425220892 392995703 /nfs/dbraw/zinc/99/57/03/392995703.db2.gz DBNNDFKPWXALMP-UHFFFAOYSA-N 1 2 254.297 1.222 20 30 CDEDLO Cc1nc(N2CC(Oc3ccc(C#N)cc3)C2)cc[nH+]1 ZINC000186034341 140052642 /nfs/dbraw/zinc/05/26/42/140052642.db2.gz CBVRZCKOQVWKHH-UHFFFAOYSA-N 1 2 266.304 1.924 20 30 CDEDLO N#CC1(C[C@H](O)C[N@@H+]2CCOC[C@H]2CC(F)F)CCC1 ZINC000886202689 782001448 /nfs/dbraw/zinc/00/14/48/782001448.db2.gz BXPVZWZEVQGQDU-NEPJUHHUSA-N 1 2 288.338 1.787 20 30 CDEDLO N#CC1(C[C@H](O)C[N@H+]2CCOC[C@H]2CC(F)F)CCC1 ZINC000886202689 782001455 /nfs/dbraw/zinc/00/14/55/782001455.db2.gz BXPVZWZEVQGQDU-NEPJUHHUSA-N 1 2 288.338 1.787 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC[C@](F)(CO)C2)c1F ZINC000335059084 150242379 /nfs/dbraw/zinc/24/23/79/150242379.db2.gz HVIBEJYOUIVWKW-CYBMUJFWSA-N 1 2 252.264 1.604 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC[C@](F)(CO)C2)c1F ZINC000335059084 150242380 /nfs/dbraw/zinc/24/23/80/150242380.db2.gz HVIBEJYOUIVWKW-CYBMUJFWSA-N 1 2 252.264 1.604 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCSC[C@H]2CO)ccc1F ZINC000335939300 151132761 /nfs/dbraw/zinc/13/27/61/151132761.db2.gz UTXWGXJUYGLHLO-GFCCVEGCSA-N 1 2 266.341 1.607 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCSC[C@H]2CO)ccc1F ZINC000335939300 151132763 /nfs/dbraw/zinc/13/27/63/151132763.db2.gz UTXWGXJUYGLHLO-GFCCVEGCSA-N 1 2 266.341 1.607 20 30 CDEDLO N#Cc1cccc(C[NH+]2CCN(Cc3ncc[nH]3)CC2)c1 ZINC000353920822 156161916 /nfs/dbraw/zinc/16/19/16/156161916.db2.gz AXCROBAAGZSSFI-UHFFFAOYSA-N 1 2 281.363 1.599 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000375573307 160393015 /nfs/dbraw/zinc/39/30/15/160393015.db2.gz VMQCNTDZJMFIEZ-OAHLLOKOSA-N 1 2 289.310 1.772 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000375573307 160393016 /nfs/dbraw/zinc/39/30/16/160393016.db2.gz VMQCNTDZJMFIEZ-OAHLLOKOSA-N 1 2 289.310 1.772 20 30 CDEDLO N#Cc1ccncc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000362701213 159217391 /nfs/dbraw/zinc/21/73/91/159217391.db2.gz YMSPMECMPRCXHQ-UHFFFAOYSA-N 1 2 281.319 1.696 20 30 CDEDLO C[C@H](CNC(=O)c1cnccc1C#N)Cn1cc[nH+]c1 ZINC000362817605 159244282 /nfs/dbraw/zinc/24/42/82/159244282.db2.gz MSHSVIQBTJGOJN-LLVKDONJSA-N 1 2 269.308 1.216 20 30 CDEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000659094134 413529913 /nfs/dbraw/zinc/52/99/13/413529913.db2.gz HEHWSNIYZDXOMC-LLVKDONJSA-N 1 2 288.351 1.417 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000285245899 196232017 /nfs/dbraw/zinc/23/20/17/196232017.db2.gz PTLGPLVULJEYNT-ILXRZTDVSA-N 1 2 299.378 1.860 20 30 CDEDLO C=C(CC)CNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000665063447 413828473 /nfs/dbraw/zinc/82/84/73/413828473.db2.gz MWAGKXJYFSRZKR-LBPRGKRZSA-N 1 2 294.399 1.745 20 30 CDEDLO C=CC[N@H+](Cc1nc2c(cnn2C)c(=O)[nH]1)[C@H](C)COC ZINC000661242109 413911290 /nfs/dbraw/zinc/91/12/90/413911290.db2.gz KVVQHXIVMQBMQQ-SNVBAGLBSA-N 1 2 291.355 1.092 20 30 CDEDLO C=CC[N@@H+](Cc1nc2c(cnn2C)c(=O)[nH]1)[C@H](C)COC ZINC000661242109 413911299 /nfs/dbraw/zinc/91/12/99/413911299.db2.gz KVVQHXIVMQBMQQ-SNVBAGLBSA-N 1 2 291.355 1.092 20 30 CDEDLO O=C(NCCC1(O)CCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329104919 227301068 /nfs/dbraw/zinc/30/10/68/227301068.db2.gz CTBPYVWMVVNFAE-NSHDSACASA-N 1 2 263.341 1.707 20 30 CDEDLO Cn1cc(C[NH+]2CCN(C(=O)NC3CCCC3)CC2)cn1 ZINC000329170314 227336538 /nfs/dbraw/zinc/33/65/38/227336538.db2.gz JYROUNDZSVFYPU-UHFFFAOYSA-N 1 2 291.399 1.394 20 30 CDEDLO C[C@H]1C[C@]1(C#N)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000336232538 228218671 /nfs/dbraw/zinc/21/86/71/228218671.db2.gz NXFLFZNFBLDVNB-WMLDXEAASA-N 1 2 283.375 1.881 20 30 CDEDLO CCOc1cccc(CNC(=O)C[NH2+][C@H](CC)CC#N)c1 ZINC000517956866 260328694 /nfs/dbraw/zinc/32/86/94/260328694.db2.gz KPSGCRDUYPBJED-CQSZACIVSA-N 1 2 289.379 1.983 20 30 CDEDLO Cc1ncc(CN(CCC#N)CC[NH+]2CCOCC2)s1 ZINC000081530770 260334948 /nfs/dbraw/zinc/33/49/48/260334948.db2.gz AGIXXUZHHJQZTQ-UHFFFAOYSA-N 1 2 294.424 1.499 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(C#N)cc1 ZINC000034651922 262383953 /nfs/dbraw/zinc/38/39/53/262383953.db2.gz OAOJIPDGGZJLHF-ZDUSSCGKSA-N 1 2 259.309 1.143 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(C#N)cc1 ZINC000034651922 262383955 /nfs/dbraw/zinc/38/39/55/262383955.db2.gz OAOJIPDGGZJLHF-ZDUSSCGKSA-N 1 2 259.309 1.143 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)CC[S@]1=O ZINC000277118812 263039631 /nfs/dbraw/zinc/03/96/31/263039631.db2.gz HRDJKAJNQNHDSF-RNODOKPDSA-N 1 2 292.404 1.932 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)CC[S@]1=O ZINC000277118812 263039632 /nfs/dbraw/zinc/03/96/32/263039632.db2.gz HRDJKAJNQNHDSF-RNODOKPDSA-N 1 2 292.404 1.932 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)C[C@H](C#N)CCC#N)C1=O ZINC000281521200 263069890 /nfs/dbraw/zinc/06/98/90/263069890.db2.gz ZJFXDULWKSSXBZ-QWHCGFSZSA-N 1 2 260.341 1.149 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)C[C@H](C#N)CCC#N)C1=O ZINC000281521200 263069891 /nfs/dbraw/zinc/06/98/91/263069891.db2.gz ZJFXDULWKSSXBZ-QWHCGFSZSA-N 1 2 260.341 1.149 20 30 CDEDLO Cc1cccc(OCCO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000283899868 263084889 /nfs/dbraw/zinc/08/48/89/263084889.db2.gz DFSGPRNAACZAFF-CYBMUJFWSA-N 1 2 264.325 1.842 20 30 CDEDLO COC(=O)c1cc(CO[NH+]=C(N)[C@@H]2CCCO2)oc1C ZINC000284552261 263087368 /nfs/dbraw/zinc/08/73/68/263087368.db2.gz VYJGJJSCLPXRTI-NSHDSACASA-N 1 2 282.296 1.342 20 30 CDEDLO CN(CCO[NH+]=C(N)[C@@H]1CCCO1)c1ccccc1 ZINC000284623667 263087669 /nfs/dbraw/zinc/08/76/69/263087669.db2.gz ZSAKOXHILUMIKF-ZDUSSCGKSA-N 1 2 263.341 1.591 20 30 CDEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1c(F)cncc1F ZINC000285812615 263095921 /nfs/dbraw/zinc/09/59/21/263095921.db2.gz VAMZQJZQFOILID-JTQLQIEISA-N 1 2 296.321 1.773 20 30 CDEDLO COc1ccc(O)c(/C=[NH+]/C[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000287365058 263101793 /nfs/dbraw/zinc/10/17/93/263101793.db2.gz YPTNANUMBPWWNB-ZRRZQRFHSA-N 1 2 297.376 1.645 20 30 CDEDLO COc1nc(C)cc(C)c1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000288581736 263104938 /nfs/dbraw/zinc/10/49/38/263104938.db2.gz LCAAPXCIGCIQPQ-LBPRGKRZSA-N 1 2 279.340 1.675 20 30 CDEDLO CCc1nocc1C[N@@H+](C)CC(=O)N(CC)C[C@H](C)C#N ZINC000293423717 263140217 /nfs/dbraw/zinc/14/02/17/263140217.db2.gz NHABGAFOCJETMD-GFCCVEGCSA-N 1 2 292.383 1.677 20 30 CDEDLO CCc1nocc1C[N@H+](C)CC(=O)N(CC)C[C@H](C)C#N ZINC000293423717 263140218 /nfs/dbraw/zinc/14/02/18/263140218.db2.gz NHABGAFOCJETMD-GFCCVEGCSA-N 1 2 292.383 1.677 20 30 CDEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccccn1 ZINC000295235988 263174901 /nfs/dbraw/zinc/17/49/01/263174901.db2.gz XMHZJNOCMQSBCD-UHFFFAOYSA-N 1 2 286.379 1.856 20 30 CDEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccccn1 ZINC000295235988 263174902 /nfs/dbraw/zinc/17/49/02/263174902.db2.gz XMHZJNOCMQSBCD-UHFFFAOYSA-N 1 2 286.379 1.856 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC[C@@]1(C)CC ZINC000340870593 263310444 /nfs/dbraw/zinc/31/04/44/263310444.db2.gz BSPOWAKPFCGILJ-OAHLLOKOSA-N 1 2 268.401 1.912 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOC[C@@]1(C)CC ZINC000340870593 263310446 /nfs/dbraw/zinc/31/04/46/263310446.db2.gz BSPOWAKPFCGILJ-OAHLLOKOSA-N 1 2 268.401 1.912 20 30 CDEDLO CC#CCN(C)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000341073655 263323629 /nfs/dbraw/zinc/32/36/29/263323629.db2.gz SBNGHHDJOXFSMH-UONOGXRCSA-N 1 2 271.364 1.636 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000331070773 264113576 /nfs/dbraw/zinc/11/35/76/264113576.db2.gz RXCWKNJNRBPGNZ-OLZOCXBDSA-N 1 2 281.400 1.494 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000331070773 264113578 /nfs/dbraw/zinc/11/35/78/264113578.db2.gz RXCWKNJNRBPGNZ-OLZOCXBDSA-N 1 2 281.400 1.494 20 30 CDEDLO Cc1nc(C(=O)NC(C)(C)C[NH+]2CCOCC2)c(C)o1 ZINC000331348334 264205922 /nfs/dbraw/zinc/20/59/22/264205922.db2.gz MWSYOPDLXVSSMG-UHFFFAOYSA-N 1 2 281.356 1.707 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000343259870 264243558 /nfs/dbraw/zinc/24/35/58/264243558.db2.gz OJIDOYWDZUAQTC-QWHCGFSZSA-N 1 2 254.374 1.568 20 30 CDEDLO CN(C)c1ccc(CNC(=O)N[C@@H]2CC[C@H](C#N)C2)c[nH+]1 ZINC000425393514 264274764 /nfs/dbraw/zinc/27/47/64/264274764.db2.gz JCKJTHPVPMRKTB-WCQYABFASA-N 1 2 287.367 1.639 20 30 CDEDLO CC[C@H]1C[N@H+](CC(=O)N(CC)CCC#N)C[C@@H](C)O1 ZINC000252443420 264301136 /nfs/dbraw/zinc/30/11/36/264301136.db2.gz SDOILXFHXYLFGI-OLZOCXBDSA-N 1 2 267.373 1.248 20 30 CDEDLO CC[C@H]1C[N@@H+](CC(=O)N(CC)CCC#N)C[C@@H](C)O1 ZINC000252443420 264301138 /nfs/dbraw/zinc/30/11/38/264301138.db2.gz SDOILXFHXYLFGI-OLZOCXBDSA-N 1 2 267.373 1.248 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000045839196 423867940 /nfs/dbraw/zinc/86/79/40/423867940.db2.gz GJQYUCKWVVQIDB-QWHCGFSZSA-N 1 2 254.374 1.520 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000045839196 423867949 /nfs/dbraw/zinc/86/79/49/423867949.db2.gz GJQYUCKWVVQIDB-QWHCGFSZSA-N 1 2 254.374 1.520 20 30 CDEDLO C=CCCC1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CC1 ZINC000356392470 266106353 /nfs/dbraw/zinc/10/63/53/266106353.db2.gz KYTYQPMEBJKGAI-OLZOCXBDSA-N 1 2 264.369 1.274 20 30 CDEDLO C=CCCC1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CC1 ZINC000356392470 266106355 /nfs/dbraw/zinc/10/63/55/266106355.db2.gz KYTYQPMEBJKGAI-OLZOCXBDSA-N 1 2 264.369 1.274 20 30 CDEDLO CC[C@H](C)[C@H](NC(=O)C[N@H+](CC)C[C@H](C)C#N)C(=O)OC ZINC000356482334 266123226 /nfs/dbraw/zinc/12/32/26/266123226.db2.gz UNUVLUVKFFKIFV-DYEKYZERSA-N 1 2 297.399 1.172 20 30 CDEDLO CC[C@H](C)[C@H](NC(=O)C[N@@H+](CC)C[C@H](C)C#N)C(=O)OC ZINC000356482334 266123229 /nfs/dbraw/zinc/12/32/29/266123229.db2.gz UNUVLUVKFFKIFV-DYEKYZERSA-N 1 2 297.399 1.172 20 30 CDEDLO C=C[C@@H](CO)NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000356850112 266188683 /nfs/dbraw/zinc/18/86/83/266188683.db2.gz AIMXEHILLABAJP-MNOVXSKESA-N 1 2 277.368 1.301 20 30 CDEDLO C=C[C@@H](CO)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000356850112 266188685 /nfs/dbraw/zinc/18/86/85/266188685.db2.gz AIMXEHILLABAJP-MNOVXSKESA-N 1 2 277.368 1.301 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@H](C(N)=O)C1 ZINC000190163340 267217051 /nfs/dbraw/zinc/21/70/51/267217051.db2.gz QYQMPNPBQFMFPQ-CABZTGNLSA-N 1 2 263.366 1.706 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@H](C(N)=O)C1 ZINC000190163340 267217052 /nfs/dbraw/zinc/21/70/52/267217052.db2.gz QYQMPNPBQFMFPQ-CABZTGNLSA-N 1 2 263.366 1.706 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435467812 267323766 /nfs/dbraw/zinc/32/37/66/267323766.db2.gz KYHPVIYSVYRGDC-UHFFFAOYSA-N 1 2 280.331 1.972 20 30 CDEDLO CC(C)(CCC#N)CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000370681705 267339237 /nfs/dbraw/zinc/33/92/37/267339237.db2.gz OSEWZTRORVMSQI-UHFFFAOYSA-N 1 2 275.356 1.738 20 30 CDEDLO C=C(C)C[NH+]1CCC(C(=O)OCC)(S(C)(=O)=O)CC1 ZINC000375802364 267905035 /nfs/dbraw/zinc/90/50/35/267905035.db2.gz SSJKLCLWMCWXJI-UHFFFAOYSA-N 1 2 289.397 1.005 20 30 CDEDLO C=C(C)CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000335801490 276863414 /nfs/dbraw/zinc/86/34/14/276863414.db2.gz KJCVYYDFPLKXAF-STQMWFEESA-N 1 2 267.373 1.067 20 30 CDEDLO C#CCO[C@H](C)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000294803555 277694830 /nfs/dbraw/zinc/69/48/30/277694830.db2.gz UQHYRYQIRKIACE-NEPJUHHUSA-N 1 2 261.325 1.502 20 30 CDEDLO N#Cc1ccc(CNc2ccc(N3CCOCC3)c[nH+]2)o1 ZINC000131307518 279671430 /nfs/dbraw/zinc/67/14/30/279671430.db2.gz VCFOVHMQIJKWOU-UHFFFAOYSA-N 1 2 284.319 1.995 20 30 CDEDLO Cc1nc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)ccc1C#N ZINC000333716317 280181793 /nfs/dbraw/zinc/18/17/93/280181793.db2.gz QOGVLPJMFXWWGG-BXKDBHETSA-N 1 2 253.309 1.998 20 30 CDEDLO O=CN1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000294097161 280333034 /nfs/dbraw/zinc/33/30/34/280333034.db2.gz BQWPLSSAXQYEMK-UHFFFAOYSA-N 1 2 276.767 1.856 20 30 CDEDLO O=CN1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000294097161 280333036 /nfs/dbraw/zinc/33/30/36/280333036.db2.gz BQWPLSSAXQYEMK-UHFFFAOYSA-N 1 2 276.767 1.856 20 30 CDEDLO COc1cc(C#N)ccc1NC(=O)NCc1[nH+]ccn1C ZINC000546708069 289745396 /nfs/dbraw/zinc/74/53/96/289745396.db2.gz TYPDHLYGSRCQNW-UHFFFAOYSA-N 1 2 285.307 1.622 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)c1cc(C#N)ccc1Cl ZINC000552415339 290069372 /nfs/dbraw/zinc/06/93/72/290069372.db2.gz DFDMSMQRFJFOCN-UHFFFAOYSA-N 1 2 288.738 1.918 20 30 CDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@]3(C#N)CC34CCCC4)C[C@H]21 ZINC000333507762 290094222 /nfs/dbraw/zinc/09/42/22/290094222.db2.gz DNAXFNDBBCIAPW-IOASZLSFSA-N 1 2 289.379 1.002 20 30 CDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)[C@@]3(C#N)CC34CCCC4)C[C@H]21 ZINC000333507762 290094226 /nfs/dbraw/zinc/09/42/26/290094226.db2.gz DNAXFNDBBCIAPW-IOASZLSFSA-N 1 2 289.379 1.002 20 30 CDEDLO Cn1cc[nH+]c1[C@H](Nc1cnc(C#N)cn1)C1CC1 ZINC000561356880 293080914 /nfs/dbraw/zinc/08/09/14/293080914.db2.gz GMFCNPOIDQFZAC-GFCCVEGCSA-N 1 2 254.297 1.645 20 30 CDEDLO N#Cc1ccccc1N1CC[NH+](CC2OCCO2)CC1 ZINC000182190142 294971379 /nfs/dbraw/zinc/97/13/79/294971379.db2.gz MBVWSFCIOROPOT-UHFFFAOYSA-N 1 2 273.336 1.053 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)cc1C ZINC001038656301 782066996 /nfs/dbraw/zinc/06/69/96/782066996.db2.gz FPFQOTJTBDSNNC-CYBMUJFWSA-N 1 2 272.348 1.441 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)cc1C ZINC001038656301 782067012 /nfs/dbraw/zinc/06/70/12/782067012.db2.gz FPFQOTJTBDSNNC-CYBMUJFWSA-N 1 2 272.348 1.441 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1COc2ccccc21 ZINC000571138845 328087586 /nfs/dbraw/zinc/08/75/86/328087586.db2.gz GDWMYDPUOCYDBO-IUODEOHRSA-N 1 2 273.336 1.123 20 30 CDEDLO Cc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000571258543 328095640 /nfs/dbraw/zinc/09/56/40/328095640.db2.gz PTYXRMJNOMQBCD-AWEZNQCLSA-N 1 2 290.323 1.477 20 30 CDEDLO N#C[C@H]1CN(Cc2cn3cc(Cl)ccc3[nH+]2)CCO1 ZINC000264404928 328159260 /nfs/dbraw/zinc/15/92/60/328159260.db2.gz PSHSCOHHELFMAT-LBPRGKRZSA-N 1 2 276.727 1.712 20 30 CDEDLO COCC[C@@H](C)O[NH+]=C(N)COc1ccccc1F ZINC000275577835 328215337 /nfs/dbraw/zinc/21/53/37/328215337.db2.gz YVLXPCUUMKICER-SNVBAGLBSA-N 1 2 270.304 1.918 20 30 CDEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000298791362 328297416 /nfs/dbraw/zinc/29/74/16/328297416.db2.gz YLZIUAPEVBAMBG-CYBMUJFWSA-N 1 2 272.352 1.532 20 30 CDEDLO N#CCc1ccnc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000531924139 328315738 /nfs/dbraw/zinc/31/57/38/328315738.db2.gz XZSPMJREJLWPJV-UHFFFAOYSA-N 1 2 255.281 1.373 20 30 CDEDLO Cc1cc(N[C@H]2CCN(c3ncccc3F)C2)c(C#N)c[nH+]1 ZINC000579102789 324103492 /nfs/dbraw/zinc/10/34/92/324103492.db2.gz SEMANSGXLPCXNQ-ZDUSSCGKSA-N 1 2 297.337 1.909 20 30 CDEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cnccn2)CC1 ZINC000579206914 324127767 /nfs/dbraw/zinc/12/77/67/324127767.db2.gz MGZRTELYBRWXDW-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO Cc1cccn2cc(CNc3cc(C#N)ncn3)[nH+]c12 ZINC000579429185 324181884 /nfs/dbraw/zinc/18/18/84/324181884.db2.gz UNSPEQLSRGITRH-UHFFFAOYSA-N 1 2 264.292 1.338 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000425485131 328489647 /nfs/dbraw/zinc/48/96/47/328489647.db2.gz XNSCTLNVKPPEKV-BFHYXJOUSA-N 1 2 299.378 1.652 20 30 CDEDLO N#CCC1CC[NH+](CC(=O)NCC(F)(F)F)CC1 ZINC000397218416 329344487 /nfs/dbraw/zinc/34/44/87/329344487.db2.gz HZFGAPFRVAPORZ-UHFFFAOYSA-N 1 2 263.263 1.291 20 30 CDEDLO C#CC[N@@H+](Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000092194223 327188023 /nfs/dbraw/zinc/18/80/23/327188023.db2.gz CXZMIXJJMOFCLD-LBPRGKRZSA-N 1 2 283.418 1.679 20 30 CDEDLO C#CC[N@H+](Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000092194223 327188024 /nfs/dbraw/zinc/18/80/24/327188024.db2.gz CXZMIXJJMOFCLD-LBPRGKRZSA-N 1 2 283.418 1.679 20 30 CDEDLO Cc1cc(C)n(C[C@@H]2C[N@H+](CCCC#N)CCO2)n1 ZINC000105893380 327242824 /nfs/dbraw/zinc/24/28/24/327242824.db2.gz XPTIXGIOROBMHR-AWEZNQCLSA-N 1 2 262.357 1.505 20 30 CDEDLO Cc1cc(C)n(C[C@@H]2C[N@@H+](CCCC#N)CCO2)n1 ZINC000105893380 327242826 /nfs/dbraw/zinc/24/28/26/327242826.db2.gz XPTIXGIOROBMHR-AWEZNQCLSA-N 1 2 262.357 1.505 20 30 CDEDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000330912014 327370717 /nfs/dbraw/zinc/37/07/17/327370717.db2.gz WIALXNRZFWTVHZ-HNNXBMFYSA-N 1 2 292.404 1.762 20 30 CDEDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000330912014 327370719 /nfs/dbraw/zinc/37/07/19/327370719.db2.gz WIALXNRZFWTVHZ-HNNXBMFYSA-N 1 2 292.404 1.762 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3CCOC[C@@H]3C#N)ccn12 ZINC000583449424 327372935 /nfs/dbraw/zinc/37/29/35/327372935.db2.gz KPPVBWRSMHDGJL-LBPRGKRZSA-N 1 2 270.292 1.007 20 30 CDEDLO CCOC(=O)CC(C)(C)CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000579599042 327394522 /nfs/dbraw/zinc/39/45/22/327394522.db2.gz WSWJCGNHRMCCSS-HNNXBMFYSA-N 1 2 297.399 1.316 20 30 CDEDLO N#CCC[NH2+][C@@H]1CCCN(c2ccccc2F)C1=O ZINC000570564125 327600424 /nfs/dbraw/zinc/60/04/24/327600424.db2.gz HXCFDCBBSKXOHL-GFCCVEGCSA-N 1 2 261.300 1.824 20 30 CDEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1CCCC#N ZINC000377616044 329020314 /nfs/dbraw/zinc/02/03/14/329020314.db2.gz RJLKOGOPNFGHND-OAHLLOKOSA-N 1 2 297.362 1.419 20 30 CDEDLO Cc1ccc(C)c(NC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000514668923 329172352 /nfs/dbraw/zinc/17/23/52/329172352.db2.gz PLPCZJPUAYFYFR-CQSZACIVSA-N 1 2 261.369 1.922 20 30 CDEDLO Cc1ccc(C)c(NC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000514668923 329172354 /nfs/dbraw/zinc/17/23/54/329172354.db2.gz PLPCZJPUAYFYFR-CQSZACIVSA-N 1 2 261.369 1.922 20 30 CDEDLO C=C(C)CN(C)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000183063602 329246795 /nfs/dbraw/zinc/24/67/95/329246795.db2.gz ZPWMLSQQNRGBEX-UHFFFAOYSA-N 1 2 288.395 1.238 20 30 CDEDLO CC[C@@H](C)[C@@H](C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000183973773 329251792 /nfs/dbraw/zinc/25/17/92/329251792.db2.gz YYBBUAOTBYWNCW-HUUCEWRRSA-N 1 2 295.427 1.743 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000188146847 329364974 /nfs/dbraw/zinc/36/49/74/329364974.db2.gz FJZGWRQLLXMABE-UHFFFAOYSA-N 1 2 294.420 1.710 20 30 CDEDLO C=CCN(CC=C)C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422588951 330150638 /nfs/dbraw/zinc/15/06/38/330150638.db2.gz LLWOYXOOYLORFX-UHFFFAOYSA-N 1 2 287.363 1.515 20 30 CDEDLO CC#CCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000527140919 330226574 /nfs/dbraw/zinc/22/65/74/330226574.db2.gz RFWZWFXOJUJBNA-UHFFFAOYSA-N 1 2 298.346 1.350 20 30 CDEDLO N#CC[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000527536579 330263537 /nfs/dbraw/zinc/26/35/37/330263537.db2.gz QWOWXRFAEXSRCI-CYBMUJFWSA-N 1 2 260.341 1.816 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccc(N3CCCC3)nc2)nn1 ZINC000424176680 330316839 /nfs/dbraw/zinc/31/68/39/330316839.db2.gz YICDKBLLGDGKRU-UHFFFAOYSA-N 1 2 298.394 1.749 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccc(F)cc1F ZINC000515655630 330481151 /nfs/dbraw/zinc/48/11/51/330481151.db2.gz LJCYMQKOPJLRIL-AWEZNQCLSA-N 1 2 281.306 1.467 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCOc2ccc(OC)cc2C1 ZINC000451641947 331037693 /nfs/dbraw/zinc/03/76/93/331037693.db2.gz JLWMCWINWDKIGM-LBPRGKRZSA-N 1 2 290.363 1.580 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCOc2ccc(OC)cc2C1 ZINC000451641947 331037694 /nfs/dbraw/zinc/03/76/94/331037694.db2.gz JLWMCWINWDKIGM-LBPRGKRZSA-N 1 2 290.363 1.580 20 30 CDEDLO C=C(C)CCNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000454554249 331148753 /nfs/dbraw/zinc/14/87/53/331148753.db2.gz WJICMRZQEDHPOO-CHWSQXEVSA-N 1 2 269.389 1.361 20 30 CDEDLO C=C(C)CCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000455322949 331166079 /nfs/dbraw/zinc/16/60/79/331166079.db2.gz KEIYHVKSJIQBFE-UONOGXRCSA-N 1 2 281.400 1.457 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)OCC ZINC000456196894 331186356 /nfs/dbraw/zinc/18/63/56/331186356.db2.gz DCTLMAIDOAWZEC-QLFBSQMISA-N 1 2 296.411 1.337 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)OCC ZINC000456196894 331186357 /nfs/dbraw/zinc/18/63/57/331186357.db2.gz DCTLMAIDOAWZEC-QLFBSQMISA-N 1 2 296.411 1.337 20 30 CDEDLO C#CCN(CC#CC)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000490701244 332106393 /nfs/dbraw/zinc/10/63/93/332106393.db2.gz VSLYIZBEQNZCSN-UHFFFAOYSA-N 1 2 265.316 1.362 20 30 CDEDLO C#CCN(C(=O)N[C@H](c1[nH+]ccn1C)C1CC1)C1CC1 ZINC000491305957 332186595 /nfs/dbraw/zinc/18/65/95/332186595.db2.gz LANAXZFWFBRQAL-ZDUSSCGKSA-N 1 2 272.352 1.678 20 30 CDEDLO C#CCN(CC#C)C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000491452856 332214329 /nfs/dbraw/zinc/21/43/29/332214329.db2.gz NTYVAPRHIRAVSK-LLVKDONJSA-N 1 2 297.280 1.551 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCCN(C)C(=O)OC(C)(C)C ZINC000491514567 332226819 /nfs/dbraw/zinc/22/68/19/332226819.db2.gz ITIZBCCKHSLZIQ-ZDUSSCGKSA-N 1 2 282.384 1.577 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCCN(C)C(=O)OC(C)(C)C ZINC000491514567 332226820 /nfs/dbraw/zinc/22/68/20/332226820.db2.gz ITIZBCCKHSLZIQ-ZDUSSCGKSA-N 1 2 282.384 1.577 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCCO[C@@H]1CCCC[C@H]1C)C1CC1 ZINC000491536946 332232230 /nfs/dbraw/zinc/23/22/30/332232230.db2.gz NEORLKOCKURFIT-GDBMZVCRSA-N 1 2 292.423 1.796 20 30 CDEDLO C#CC[N@H+](CC(=O)NCCO[C@@H]1CCCC[C@H]1C)C1CC1 ZINC000491536946 332232231 /nfs/dbraw/zinc/23/22/31/332232231.db2.gz NEORLKOCKURFIT-GDBMZVCRSA-N 1 2 292.423 1.796 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000491625194 332249135 /nfs/dbraw/zinc/24/91/35/332249135.db2.gz KDCJULFWRBETME-SECBINFHSA-N 1 2 252.264 1.857 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000491625194 332249137 /nfs/dbraw/zinc/24/91/37/332249137.db2.gz KDCJULFWRBETME-SECBINFHSA-N 1 2 252.264 1.857 20 30 CDEDLO C#CCN(CC#CC)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000491658304 332269260 /nfs/dbraw/zinc/26/92/60/332269260.db2.gz HJWGEYBACROBTI-OLZOCXBDSA-N 1 2 270.336 1.557 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000491673689 332279808 /nfs/dbraw/zinc/27/98/08/332279808.db2.gz USIVOKBBOJMRHC-OAHLLOKOSA-N 1 2 268.360 1.568 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000491699590 332294349 /nfs/dbraw/zinc/29/43/49/332294349.db2.gz BWXQJGHGFBOMBQ-NSHDSACASA-N 1 2 285.307 1.764 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000491699590 332294350 /nfs/dbraw/zinc/29/43/50/332294350.db2.gz BWXQJGHGFBOMBQ-NSHDSACASA-N 1 2 285.307 1.764 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000491711414 332302952 /nfs/dbraw/zinc/30/29/52/332302952.db2.gz WMHIALQQNSVIBS-SUMWQHHRSA-N 1 2 299.374 1.755 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000491711414 332302954 /nfs/dbraw/zinc/30/29/54/332302954.db2.gz WMHIALQQNSVIBS-SUMWQHHRSA-N 1 2 299.374 1.755 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1nc2c(s1)CCC2)C1CC1 ZINC000491746236 332323896 /nfs/dbraw/zinc/32/38/96/332323896.db2.gz YKVATLKJRXNRBJ-UHFFFAOYSA-N 1 2 275.377 1.668 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1nc2c(s1)CCC2)C1CC1 ZINC000491746236 332323897 /nfs/dbraw/zinc/32/38/97/332323897.db2.gz YKVATLKJRXNRBJ-UHFFFAOYSA-N 1 2 275.377 1.668 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000491784526 332347864 /nfs/dbraw/zinc/34/78/64/332347864.db2.gz QUYNLYBJPMGPMY-LBPRGKRZSA-N 1 2 253.305 1.966 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@@](C)(C2CCCCC2)C1=O ZINC000491788313 332350668 /nfs/dbraw/zinc/35/06/68/332350668.db2.gz XNYTYBRURZXDGA-WBMJQRKESA-N 1 2 291.395 1.788 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@@](C)(C2CCCCC2)C1=O ZINC000491788313 332350669 /nfs/dbraw/zinc/35/06/69/332350669.db2.gz XNYTYBRURZXDGA-WBMJQRKESA-N 1 2 291.395 1.788 20 30 CDEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000493243936 332432231 /nfs/dbraw/zinc/43/22/31/332432231.db2.gz YJDDFSYJBHWUEY-CYLBZQBVSA-N 1 2 258.325 1.725 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCc1ccc(Cl)s1 ZINC000072906940 333964911 /nfs/dbraw/zinc/96/49/11/333964911.db2.gz AYWJYHOKDNHXFZ-UHFFFAOYSA-N 1 2 280.780 1.586 20 30 CDEDLO C=CCCO[C@@H](C)c1nc([C@H]2C[N@H+](C)CCN2C)no1 ZINC000547201984 334072545 /nfs/dbraw/zinc/07/25/45/334072545.db2.gz CZARIFVVTHINCO-NWDGAFQWSA-N 1 2 280.372 1.642 20 30 CDEDLO C=CCCO[C@@H](C)c1nc([C@H]2C[N@@H+](C)CCN2C)no1 ZINC000547201984 334072546 /nfs/dbraw/zinc/07/25/46/334072546.db2.gz CZARIFVVTHINCO-NWDGAFQWSA-N 1 2 280.372 1.642 20 30 CDEDLO C=CCOc1cc(OC)ccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000133973885 334075860 /nfs/dbraw/zinc/07/58/60/334075860.db2.gz PIPAMJVXNASWRY-UHFFFAOYSA-N 1 2 287.319 1.913 20 30 CDEDLO CC#CCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000135103504 334115409 /nfs/dbraw/zinc/11/54/09/334115409.db2.gz GISPMHXKHKZDFH-UHFFFAOYSA-N 1 2 296.374 1.796 20 30 CDEDLO CC#CC[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000135268308 334122791 /nfs/dbraw/zinc/12/27/91/334122791.db2.gz XWUVXBRRIGMJSE-LLVKDONJSA-N 1 2 281.153 1.588 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)C(C)C ZINC001754474044 1159224109 /nfs/dbraw/zinc/22/41/09/1159224109.db2.gz VWZXJXBXLGSLJV-CQSZACIVSA-N 1 2 293.411 1.034 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)C(C)C ZINC001754474044 1159224113 /nfs/dbraw/zinc/22/41/13/1159224113.db2.gz VWZXJXBXLGSLJV-CQSZACIVSA-N 1 2 293.411 1.034 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1csc(Cl)c1 ZINC000577875955 335416082 /nfs/dbraw/zinc/41/60/82/335416082.db2.gz HNTBBASOKIDSNP-NSHDSACASA-N 1 2 271.773 1.975 20 30 CDEDLO COC(=O)/C=C(\C)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000929461234 782116576 /nfs/dbraw/zinc/11/65/76/782116576.db2.gz YMZDKVHXMILLLW-SDNWHVSQSA-N 1 2 299.374 1.800 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nnc(C)o1 ZINC001755259054 1159815048 /nfs/dbraw/zinc/81/50/48/1159815048.db2.gz YWQKSTBDWSDSQX-QWRGUYRKSA-N 1 2 294.399 1.963 20 30 CDEDLO C#CCCCC(=O)NCC[NH2+]Cc1ncc(C(C)C)o1 ZINC001126344455 1159915806 /nfs/dbraw/zinc/91/58/06/1159915806.db2.gz YIUKXTSBNIPBDL-UHFFFAOYSA-N 1 2 277.368 1.807 20 30 CDEDLO COCC#CC[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000677132936 482468911 /nfs/dbraw/zinc/46/89/11/482468911.db2.gz ABQSRMVIIZZWKB-UHFFFAOYSA-N 1 2 279.771 1.507 20 30 CDEDLO C=C[C@@](C)(O)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000666358379 482667962 /nfs/dbraw/zinc/66/79/62/482667962.db2.gz GMWPNWVTADABBX-MRXNPFEDSA-N 1 2 287.363 1.788 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(OCC)cn2)C1=O ZINC000684966742 483041169 /nfs/dbraw/zinc/04/11/69/483041169.db2.gz LOHFIZVTBNYKIS-HNNXBMFYSA-N 1 2 289.379 1.699 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(OCC)cn2)C1=O ZINC000684966742 483041174 /nfs/dbraw/zinc/04/11/74/483041174.db2.gz LOHFIZVTBNYKIS-HNNXBMFYSA-N 1 2 289.379 1.699 20 30 CDEDLO C=CCN1CC[C@H]([NH+]2CC(c3nc4ccccc4[nH]3)C2)C1=O ZINC000685003747 483067074 /nfs/dbraw/zinc/06/70/74/483067074.db2.gz NOAZCDLYDDCFKD-HNNXBMFYSA-N 1 2 296.374 1.749 20 30 CDEDLO C=C1CC(C)(C(=O)NC2C[NH+](CCn3cccn3)C2)C1 ZINC001030919495 1161094369 /nfs/dbraw/zinc/09/43/69/1161094369.db2.gz LINFMUFAXISKGW-UHFFFAOYSA-N 1 2 274.368 1.040 20 30 CDEDLO C=CC[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000820449602 1161920114 /nfs/dbraw/zinc/92/01/14/1161920114.db2.gz BQIZNMKITNICHQ-GWCFXTLKSA-N 1 2 262.357 1.871 20 30 CDEDLO C=CC[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000820449602 1161920117 /nfs/dbraw/zinc/92/01/17/1161920117.db2.gz BQIZNMKITNICHQ-GWCFXTLKSA-N 1 2 262.357 1.871 20 30 CDEDLO C[C@@H](CNC(=O)c1ccc(C#N)cn1)Cn1cc[nH+]c1 ZINC000096446814 534036539 /nfs/dbraw/zinc/03/65/39/534036539.db2.gz VRXLGMLGAKJDIT-NSHDSACASA-N 1 2 269.308 1.216 20 30 CDEDLO CC(C)C[N@H+](CCC#N)C[C@@H]1CCS(=O)(=O)C1 ZINC000789292431 1162082701 /nfs/dbraw/zinc/08/27/01/1162082701.db2.gz CFBNMGOADMJRDZ-LBPRGKRZSA-N 1 2 258.387 1.293 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)C[C@@H]1CCS(=O)(=O)C1 ZINC000789292431 1162082704 /nfs/dbraw/zinc/08/27/04/1162082704.db2.gz CFBNMGOADMJRDZ-LBPRGKRZSA-N 1 2 258.387 1.293 20 30 CDEDLO CCN(c1cc(Cl)ncc1C#N)C1C[NH+](C)C1 ZINC001157455497 1162092594 /nfs/dbraw/zinc/09/25/94/1162092594.db2.gz MPWGMXBWBCYDDA-UHFFFAOYSA-N 1 2 250.733 1.747 20 30 CDEDLO CCN(C)c1ccc(C=[NH+]NC(=S)NC2CC2)cn1 ZINC000790148422 1162129455 /nfs/dbraw/zinc/12/94/55/1162129455.db2.gz IGQNBWJRCDCPNL-UHFFFAOYSA-N 1 2 277.397 1.498 20 30 CDEDLO CC#CCCCC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000185933861 519336591 /nfs/dbraw/zinc/33/65/91/519336591.db2.gz ASHAJSPRTOHUJY-AWEZNQCLSA-N 1 2 271.364 1.970 20 30 CDEDLO Cc1cnc([C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)o1 ZINC000329242122 534629586 /nfs/dbraw/zinc/62/95/86/534629586.db2.gz OBMLELITPFLKKB-UWVGGRQHSA-N 1 2 253.302 1.331 20 30 CDEDLO Cc1cnc([C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)o1 ZINC000329242122 534629591 /nfs/dbraw/zinc/62/95/91/534629591.db2.gz OBMLELITPFLKKB-UWVGGRQHSA-N 1 2 253.302 1.331 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)CCO1 ZINC000340822359 523435160 /nfs/dbraw/zinc/43/51/60/523435160.db2.gz SUKOENMWWCWMDJ-OAHLLOKOSA-N 1 2 287.363 1.285 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)CCO1 ZINC000340822359 523435173 /nfs/dbraw/zinc/43/51/73/523435173.db2.gz SUKOENMWWCWMDJ-OAHLLOKOSA-N 1 2 287.363 1.285 20 30 CDEDLO Cc1[nH]c(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)c[nH+]1 ZINC000329106421 534724424 /nfs/dbraw/zinc/72/44/24/534724424.db2.gz HLKCCLDAINWJDV-ZWNOBZJWSA-N 1 2 265.313 1.361 20 30 CDEDLO N#Cc1cccc(C2(NC(=O)NCCn3cc[nH+]c3)CC2)c1 ZINC000269670516 534804073 /nfs/dbraw/zinc/80/40/73/534804073.db2.gz YWPVMOPCOUKEJY-UHFFFAOYSA-N 1 2 295.346 1.743 20 30 CDEDLO Cc1ccc(C#N)cc1NC(=O)NCc1ccc(N)[nH+]c1 ZINC000338446005 526001635 /nfs/dbraw/zinc/00/16/35/526001635.db2.gz WIZIZYQRMJFNIJ-UHFFFAOYSA-N 1 2 281.319 1.996 20 30 CDEDLO Cc1cc(C#N)cc(NCCc2cn3ccccc3[nH+]2)n1 ZINC000339969728 526177842 /nfs/dbraw/zinc/17/78/42/526177842.db2.gz IAXAYPHWEIIKOU-UHFFFAOYSA-N 1 2 277.331 1.986 20 30 CDEDLO C=CC[N@@H+](CCS(=O)(=O)N(C)C)Cc1cccs1 ZINC000352098015 526307976 /nfs/dbraw/zinc/30/79/76/526307976.db2.gz YQOAULJVODSVDS-UHFFFAOYSA-N 1 2 288.438 1.628 20 30 CDEDLO C=CC[N@H+](CCS(=O)(=O)N(C)C)Cc1cccs1 ZINC000352098015 526307979 /nfs/dbraw/zinc/30/79/79/526307979.db2.gz YQOAULJVODSVDS-UHFFFAOYSA-N 1 2 288.438 1.628 20 30 CDEDLO N#Cc1csc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)c1 ZINC000374387858 526780177 /nfs/dbraw/zinc/78/01/77/526780177.db2.gz PPCRQQXIMGHWIQ-CYBMUJFWSA-N 1 2 298.371 1.801 20 30 CDEDLO C#CC[NH+]1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000112705695 526955410 /nfs/dbraw/zinc/95/54/10/526955410.db2.gz GDUJJABVSMAUGT-MRXNPFEDSA-N 1 2 283.375 1.043 20 30 CDEDLO C#CCN1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000112705695 526955415 /nfs/dbraw/zinc/95/54/15/526955415.db2.gz GDUJJABVSMAUGT-MRXNPFEDSA-N 1 2 283.375 1.043 20 30 CDEDLO CCC[C@@H]1CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000330182700 527767247 /nfs/dbraw/zinc/76/72/47/527767247.db2.gz HKUZPXOKZJKEKZ-QWHCGFSZSA-N 1 2 292.383 1.613 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000347390254 527930061 /nfs/dbraw/zinc/93/00/61/527930061.db2.gz SFHUFCRGTAOKQS-OLZOCXBDSA-N 1 2 255.337 1.475 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@](C)(F)C1 ZINC000347390254 527930065 /nfs/dbraw/zinc/93/00/65/527930065.db2.gz SFHUFCRGTAOKQS-OLZOCXBDSA-N 1 2 255.337 1.475 20 30 CDEDLO CC[N@@H+](Cc1cc(C(=O)OC)n(C)c1)C[C@H](C)C#N ZINC000347613531 528764812 /nfs/dbraw/zinc/76/48/12/528764812.db2.gz ONXIZYYHMYSDRN-LLVKDONJSA-N 1 2 263.341 1.793 20 30 CDEDLO CC[N@H+](Cc1cc(C(=O)OC)n(C)c1)C[C@H](C)C#N ZINC000347613531 528764818 /nfs/dbraw/zinc/76/48/18/528764818.db2.gz ONXIZYYHMYSDRN-LLVKDONJSA-N 1 2 263.341 1.793 20 30 CDEDLO CO[C@H](C)CC/[NH+]=C/c1c(O)c(C)ncc1CO ZINC000726430128 574498901 /nfs/dbraw/zinc/49/89/01/574498901.db2.gz WIWYIIZGPGZELT-CULDGANSSA-N 1 2 252.314 1.432 20 30 CDEDLO CO[C@@H](C)CC/[NH+]=C/c1c(O)c(C)ncc1CO ZINC000726430135 574498968 /nfs/dbraw/zinc/49/89/68/574498968.db2.gz WIWYIIZGPGZELT-DUJAKZANSA-N 1 2 252.314 1.432 20 30 CDEDLO C=CCNC(=S)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000727287062 574577451 /nfs/dbraw/zinc/57/74/51/574577451.db2.gz MODSYABETHLRTM-UHFFFAOYSA-N 1 2 296.465 1.711 20 30 CDEDLO C=CCNC(=S)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000727287062 574577452 /nfs/dbraw/zinc/57/74/52/574577452.db2.gz MODSYABETHLRTM-UHFFFAOYSA-N 1 2 296.465 1.711 20 30 CDEDLO CN(C)c1ccc(C=[NH+]NC(=S)NC2CC2)cc1F ZINC000727648764 574593203 /nfs/dbraw/zinc/59/32/03/574593203.db2.gz QOMHVBXHKCCSIY-UHFFFAOYSA-N 1 2 280.372 1.852 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)CC2(CCCC2)C1=O)C1CC1 ZINC000771642397 575600517 /nfs/dbraw/zinc/60/05/17/575600517.db2.gz QGPLKKCRKVCMSU-UHFFFAOYSA-N 1 2 262.353 1.914 20 30 CDEDLO CN(C)C(=S)N[NH+]=Cc1ccc(N(C)C)s1 ZINC000731559960 575054885 /nfs/dbraw/zinc/05/48/85/575054885.db2.gz AFOLOGIZYIPESP-UHFFFAOYSA-N 1 2 256.400 1.584 20 30 CDEDLO C(=[NH+]OC1CCOCC1)c1cnc(N2CCOCC2)s1 ZINC000774438649 575205072 /nfs/dbraw/zinc/20/50/72/575205072.db2.gz VGJYUEDDBIPUMH-UHFFFAOYSA-N 1 2 297.380 1.509 20 30 CDEDLO CCOC(=O)[C@@H]([NH2+]CCC(=O)N(C)CCC#N)C(C)(C)C ZINC000771458961 575581677 /nfs/dbraw/zinc/58/16/77/575581677.db2.gz XEHUQPNTZXSBTG-CYBMUJFWSA-N 1 2 297.399 1.316 20 30 CDEDLO C=CC[N@H+](CN1C(=O)CC2(CCCC2)C1=O)C1CC1 ZINC000771642397 575600514 /nfs/dbraw/zinc/60/05/14/575600514.db2.gz QGPLKKCRKVCMSU-UHFFFAOYSA-N 1 2 262.353 1.914 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)N[C@](CC)(C(C)C)C1=O)C1CC1 ZINC000771642711 575600629 /nfs/dbraw/zinc/60/06/29/575600629.db2.gz UELDBDZMBYFNRI-OAHLLOKOSA-N 1 2 279.384 1.951 20 30 CDEDLO C=CC[N@H+](CN1C(=O)N[C@](CC)(C(C)C)C1=O)C1CC1 ZINC000771642711 575600631 /nfs/dbraw/zinc/60/06/31/575600631.db2.gz UELDBDZMBYFNRI-OAHLLOKOSA-N 1 2 279.384 1.951 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)CC)CC1 ZINC000772115077 575662612 /nfs/dbraw/zinc/66/26/12/575662612.db2.gz VJOCMZJYACSGPS-NSHDSACASA-N 1 2 251.326 1.242 20 30 CDEDLO C#C[C@@H](NC(=O)Cn1c(C)[nH+]c2ccccc21)[C@@H]1CCCO1 ZINC000772881513 575762720 /nfs/dbraw/zinc/76/27/20/575762720.db2.gz MCMXBNMZOJWKLQ-CJNGLKHVSA-N 1 2 297.358 1.642 20 30 CDEDLO C=CCCCC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767564640 576205727 /nfs/dbraw/zinc/20/57/27/576205727.db2.gz XKYPPYYPJNYZQH-BETUJISGSA-N 1 2 253.342 1.749 20 30 CDEDLO C=CCCCC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767564640 576205729 /nfs/dbraw/zinc/20/57/29/576205729.db2.gz XKYPPYYPJNYZQH-BETUJISGSA-N 1 2 253.342 1.749 20 30 CDEDLO C[S@](=O)CC[NH+]1CCN(Cc2ccc(C#N)s2)CC1 ZINC000769479637 576357573 /nfs/dbraw/zinc/35/75/73/576357573.db2.gz KDEOPSZIFJPHRK-IBGZPJMESA-N 1 2 297.449 1.116 20 30 CDEDLO C#CCCON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000760350366 576479157 /nfs/dbraw/zinc/47/91/57/576479157.db2.gz GGSPOCVQMHEZOG-UHFFFAOYSA-N 1 2 287.363 1.179 20 30 CDEDLO C#CCNC(=O)C[N@@H+](C)[C@@H](C)c1sc(CC)nc1C ZINC000741793081 576574142 /nfs/dbraw/zinc/57/41/42/576574142.db2.gz FPQDTSXQPGBDKL-NSHDSACASA-N 1 2 279.409 1.756 20 30 CDEDLO C#CCNC(=O)C[N@H+](C)[C@@H](C)c1sc(CC)nc1C ZINC000741793081 576574144 /nfs/dbraw/zinc/57/41/44/576574144.db2.gz FPQDTSXQPGBDKL-NSHDSACASA-N 1 2 279.409 1.756 20 30 CDEDLO COCC#CCOC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000762797264 576673496 /nfs/dbraw/zinc/67/34/96/576673496.db2.gz PTWVSRPDVJTVAK-UHFFFAOYSA-N 1 2 272.304 1.538 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)o1)C1CC1 ZINC000763948596 576767752 /nfs/dbraw/zinc/76/77/52/576767752.db2.gz ANWNKJICBSPESL-UHFFFAOYSA-N 1 2 282.365 1.128 20 30 CDEDLO C#CC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)o1)C1CC1 ZINC000763948596 576767753 /nfs/dbraw/zinc/76/77/53/576767753.db2.gz ANWNKJICBSPESL-UHFFFAOYSA-N 1 2 282.365 1.128 20 30 CDEDLO Cn1c[nH+]cc1C=NNCc1cc(F)ccc1F ZINC000755650171 576953824 /nfs/dbraw/zinc/95/38/24/576953824.db2.gz HHUIUXFDASGNTB-UHFFFAOYSA-N 1 2 250.252 1.822 20 30 CDEDLO Cc1cc(N=NCc2c[nH+]c3ccccn23)ncn1 ZINC000755727719 576957658 /nfs/dbraw/zinc/95/76/58/576957658.db2.gz NTURGRXHVFKUDP-UHFFFAOYSA-N 1 2 252.281 1.879 20 30 CDEDLO CC(C)S(=O)(=O)NN=C1CC[N@H+](Cc2ccccc2)C1 ZINC000749746226 576960832 /nfs/dbraw/zinc/96/08/32/576960832.db2.gz YKQXXTUGXXQLQE-UHFFFAOYSA-N 1 2 295.408 1.576 20 30 CDEDLO CC(C)S(=O)(=O)NN=C1CC[N@@H+](Cc2ccccc2)C1 ZINC000749746226 576960833 /nfs/dbraw/zinc/96/08/33/576960833.db2.gz YKQXXTUGXXQLQE-UHFFFAOYSA-N 1 2 295.408 1.576 20 30 CDEDLO CC(C)S(=O)(=O)NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000749748680 576960926 /nfs/dbraw/zinc/96/09/26/576960926.db2.gz JOLDKKMGOUHWCL-UHFFFAOYSA-N 1 2 292.364 1.534 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCS1 ZINC000756979774 577018404 /nfs/dbraw/zinc/01/84/04/577018404.db2.gz HEUJTJBSWIMVFO-RYUDHWBXSA-N 1 2 252.383 1.096 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCS1 ZINC000756979774 577018405 /nfs/dbraw/zinc/01/84/05/577018405.db2.gz HEUJTJBSWIMVFO-RYUDHWBXSA-N 1 2 252.383 1.096 20 30 CDEDLO CC[C@@H]1CCCC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000758359435 577101989 /nfs/dbraw/zinc/10/19/89/577101989.db2.gz ACRJQSLBTCJPJO-GFCCVEGCSA-N 1 2 298.456 1.349 20 30 CDEDLO C#CCC[N@H+]1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000981208895 613004773 /nfs/dbraw/zinc/00/47/73/613004773.db2.gz CQWVZMZVLWDLNM-JTQLQIEISA-N 1 2 280.265 1.444 20 30 CDEDLO C#CCC[N@@H+]1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000981208895 613004775 /nfs/dbraw/zinc/00/47/75/613004775.db2.gz CQWVZMZVLWDLNM-JTQLQIEISA-N 1 2 280.265 1.444 20 30 CDEDLO C#CC[N@H+](Cc1cccc(S(C)(=O)=O)c1)C(C)C ZINC000932388107 617236644 /nfs/dbraw/zinc/23/66/44/617236644.db2.gz UZZZEWXDUXAZKX-UHFFFAOYSA-N 1 2 265.378 1.934 20 30 CDEDLO C#CC[N@@H+](Cc1cccc(S(C)(=O)=O)c1)C(C)C ZINC000932388107 617236646 /nfs/dbraw/zinc/23/66/46/617236646.db2.gz UZZZEWXDUXAZKX-UHFFFAOYSA-N 1 2 265.378 1.934 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2c(C)nn(C)c2C)C1 ZINC000951017024 612991595 /nfs/dbraw/zinc/99/15/95/612991595.db2.gz JASGFAHPILFMSE-UHFFFAOYSA-N 1 2 288.395 1.207 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCF)CC[C@H]2C)cn1 ZINC000968560573 613187253 /nfs/dbraw/zinc/18/72/53/613187253.db2.gz DIGSGZGMYLEHFZ-IUODEOHRSA-N 1 2 289.354 1.473 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCF)CC[C@H]2C)cn1 ZINC000968560573 613187255 /nfs/dbraw/zinc/18/72/55/613187255.db2.gz DIGSGZGMYLEHFZ-IUODEOHRSA-N 1 2 289.354 1.473 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C3CCCC3)CC2)C1 ZINC000949273853 613210338 /nfs/dbraw/zinc/21/03/38/613210338.db2.gz YQOLJDJDKGVCDS-UHFFFAOYSA-N 1 2 290.407 1.503 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C3CCCC3)CC2)C1 ZINC000949273853 613210340 /nfs/dbraw/zinc/21/03/40/613210340.db2.gz YQOLJDJDKGVCDS-UHFFFAOYSA-N 1 2 290.407 1.503 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@@H]3C[C@@H]3C)CC2)C1 ZINC000949463123 613210489 /nfs/dbraw/zinc/21/04/89/613210489.db2.gz KGDVCFQJQYKPRK-GJZGRUSLSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3C[C@@H]3C)CC2)C1 ZINC000949463123 613210490 /nfs/dbraw/zinc/21/04/90/613210490.db2.gz KGDVCFQJQYKPRK-GJZGRUSLSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@]34C[C@H]3CCC4)C2)C1 ZINC000972471634 613212992 /nfs/dbraw/zinc/21/29/92/613212992.db2.gz LVYJXYBAWBAPNC-DJIMGWMZSA-N 1 2 288.391 1.113 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@]34C[C@H]3CCC4)C2)C1 ZINC000972471634 613212994 /nfs/dbraw/zinc/21/29/94/613212994.db2.gz LVYJXYBAWBAPNC-DJIMGWMZSA-N 1 2 288.391 1.113 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2scnc2Cl)C1 ZINC000968651593 613217300 /nfs/dbraw/zinc/21/73/00/613217300.db2.gz KHRILFHBGLMFSR-ZJUUUORDSA-N 1 2 297.811 1.870 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2scnc2Cl)C1 ZINC000968651593 613217302 /nfs/dbraw/zinc/21/73/02/613217302.db2.gz KHRILFHBGLMFSR-ZJUUUORDSA-N 1 2 297.811 1.870 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000981740896 613240705 /nfs/dbraw/zinc/24/07/05/613240705.db2.gz ISKVJIBLBBDEET-CYBMUJFWSA-N 1 2 293.411 1.012 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000981740896 613240707 /nfs/dbraw/zinc/24/07/07/613240707.db2.gz ISKVJIBLBBDEET-CYBMUJFWSA-N 1 2 293.411 1.012 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2n[nH]c3ccccc32)C[C@H]1C ZINC000947995360 613243667 /nfs/dbraw/zinc/24/36/67/613243667.db2.gz XTROOPPMRVRKJC-CHWSQXEVSA-N 1 2 296.374 1.779 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2n[nH]c3ccccc32)C[C@H]1C ZINC000947995360 613243672 /nfs/dbraw/zinc/24/36/72/613243672.db2.gz XTROOPPMRVRKJC-CHWSQXEVSA-N 1 2 296.374 1.779 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnc(OC)nc2)C1 ZINC000957082690 613297469 /nfs/dbraw/zinc/29/74/69/613297469.db2.gz OEVMMXZWGXJPKP-UHFFFAOYSA-N 1 2 290.367 1.208 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cncc(F)c2)C1 ZINC000949867890 613297516 /nfs/dbraw/zinc/29/75/16/613297516.db2.gz IWJMNBRUJLMQGN-UHFFFAOYSA-N 1 2 277.343 1.943 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(CC)nn2C)CC1 ZINC000952389636 613320035 /nfs/dbraw/zinc/32/00/35/613320035.db2.gz ITCJRQJZNNDYDV-UHFFFAOYSA-N 1 2 276.384 1.316 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ncc(OC)cc2F)CC1 ZINC000948661566 613322220 /nfs/dbraw/zinc/32/22/20/613322220.db2.gz XMYSRADKPCTPKO-UHFFFAOYSA-N 1 2 293.342 1.563 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC000971124510 613368996 /nfs/dbraw/zinc/36/89/96/613368996.db2.gz CJMSJTOPCOUZDK-SNVBAGLBSA-N 1 2 268.748 1.309 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC000971124510 613368997 /nfs/dbraw/zinc/36/89/97/613368997.db2.gz CJMSJTOPCOUZDK-SNVBAGLBSA-N 1 2 268.748 1.309 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC000971124510 613368998 /nfs/dbraw/zinc/36/89/98/613368998.db2.gz CJMSJTOPCOUZDK-SNVBAGLBSA-N 1 2 268.748 1.309 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC000971124510 613368999 /nfs/dbraw/zinc/36/89/99/613368999.db2.gz CJMSJTOPCOUZDK-SNVBAGLBSA-N 1 2 268.748 1.309 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnc(C)[nH]2)C1 ZINC000969398320 613372495 /nfs/dbraw/zinc/37/24/95/613372495.db2.gz DDSSCLQVSCOLGW-VIFPVBQESA-N 1 2 282.775 1.521 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2conc2C)C1 ZINC000970363474 613372580 /nfs/dbraw/zinc/37/25/80/613372580.db2.gz MLCPLOHXSLCHAP-VIFPVBQESA-N 1 2 283.759 1.786 20 30 CDEDLO C=C(Cl)CN1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000981717134 613373297 /nfs/dbraw/zinc/37/32/97/613373297.db2.gz BMTUITDXDKBVMN-UHFFFAOYSA-N 1 2 296.802 1.560 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CO[C@@H](C)C2)CC1 ZINC000981487775 613373861 /nfs/dbraw/zinc/37/38/61/613373861.db2.gz UMWLDKKVOYDHQN-QWHCGFSZSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CO[C@@H](C)C2)CC1 ZINC000981487775 613373862 /nfs/dbraw/zinc/37/38/62/613373862.db2.gz UMWLDKKVOYDHQN-QWHCGFSZSA-N 1 2 286.803 1.698 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC000969586046 613436340 /nfs/dbraw/zinc/43/63/40/613436340.db2.gz GMWLTLOBIYTDMJ-LLVKDONJSA-N 1 2 278.356 1.281 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H]2CC=CCC2)CC1 ZINC000949682371 613563321 /nfs/dbraw/zinc/56/33/21/613563321.db2.gz NIYDYKQIZNWUJA-HNNXBMFYSA-N 1 2 260.381 1.900 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)/C(C)=C\C)C2)C1 ZINC000972328348 613569996 /nfs/dbraw/zinc/56/99/96/613569996.db2.gz PSLSOMVZEFTASL-HSLRFEFHSA-N 1 2 276.380 1.279 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)/C(C)=C\C)C2)C1 ZINC000972328348 613569997 /nfs/dbraw/zinc/56/99/97/613569997.db2.gz PSLSOMVZEFTASL-HSLRFEFHSA-N 1 2 276.380 1.279 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCOC[C@@H]2C)C1 ZINC000951700736 613654320 /nfs/dbraw/zinc/65/43/20/613654320.db2.gz KBCUXLRLYJSIMO-GXTWGEPZSA-N 1 2 266.385 1.378 20 30 CDEDLO C=CC[NH+]1CC([C@H](C)NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC000970860591 613671948 /nfs/dbraw/zinc/67/19/48/613671948.db2.gz HTKIVTQIFNDTCA-JTQLQIEISA-N 1 2 285.351 1.194 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCn2cnc3ccccc32)CC1 ZINC000949173227 613708372 /nfs/dbraw/zinc/70/83/72/613708372.db2.gz BAEKBMMAOQNTEU-UHFFFAOYSA-N 1 2 298.390 1.757 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]c3cccnc23)CC1 ZINC000957337146 613714354 /nfs/dbraw/zinc/71/43/54/613714354.db2.gz KWSSOEZJCFSKTQ-UHFFFAOYSA-N 1 2 270.336 1.507 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc(-n3cccn3)n2)CC1 ZINC000950444491 613717068 /nfs/dbraw/zinc/71/70/68/613717068.db2.gz GVECZSIODACIGK-UHFFFAOYSA-N 1 2 297.362 1.211 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)C=C)C2)C1 ZINC000972505253 613725396 /nfs/dbraw/zinc/72/53/96/613725396.db2.gz UZAOLJNQLYGNBL-MRXNPFEDSA-N 1 2 278.396 1.688 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)C=C)C2)C1 ZINC000972505253 613725397 /nfs/dbraw/zinc/72/53/97/613725397.db2.gz UZAOLJNQLYGNBL-MRXNPFEDSA-N 1 2 278.396 1.688 20 30 CDEDLO C=C1CCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000892596245 617526200 /nfs/dbraw/zinc/52/62/00/617526200.db2.gz OEPAQAOUGZYJCQ-CYBMUJFWSA-N 1 2 267.373 1.069 20 30 CDEDLO C=C1CCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000892596245 617526202 /nfs/dbraw/zinc/52/62/02/617526202.db2.gz OEPAQAOUGZYJCQ-CYBMUJFWSA-N 1 2 267.373 1.069 20 30 CDEDLO C#CCCCCCC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000784908188 618076759 /nfs/dbraw/zinc/07/67/59/618076759.db2.gz XDMLEOBFAOHDGM-CQSZACIVSA-N 1 2 267.369 1.834 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)SC)C1 ZINC000923555553 618345107 /nfs/dbraw/zinc/34/51/07/618345107.db2.gz BMQLUYIBZOLHLB-NSHDSACASA-N 1 2 254.399 1.342 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)SC)C1 ZINC000923555553 618345117 /nfs/dbraw/zinc/34/51/17/618345117.db2.gz BMQLUYIBZOLHLB-NSHDSACASA-N 1 2 254.399 1.342 20 30 CDEDLO C#CC[C@@H]1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000888173436 620809861 /nfs/dbraw/zinc/80/98/61/620809861.db2.gz KMWDRFQFYVPJDY-QLFBSQMISA-N 1 2 293.411 1.150 20 30 CDEDLO N#C[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000928216177 618567805 /nfs/dbraw/zinc/56/78/05/618567805.db2.gz SOYVEOHWMVIWHN-RYUDHWBXSA-N 1 2 258.325 1.208 20 30 CDEDLO N#C[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000928216175 618568112 /nfs/dbraw/zinc/56/81/12/618568112.db2.gz SOYVEOHWMVIWHN-NEPJUHHUSA-N 1 2 258.325 1.208 20 30 CDEDLO Cc1ccnc(N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)c1C#N ZINC000895248099 619488106 /nfs/dbraw/zinc/48/81/06/619488106.db2.gz YOSAAHFRSYCBJV-TZMCWYRMSA-N 1 2 273.384 1.308 20 30 CDEDLO Cc1ccnc(N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)c1C#N ZINC000895248099 619488113 /nfs/dbraw/zinc/48/81/13/619488113.db2.gz YOSAAHFRSYCBJV-TZMCWYRMSA-N 1 2 273.384 1.308 20 30 CDEDLO Cc1ncoc1C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000895374078 619614176 /nfs/dbraw/zinc/61/41/76/619614176.db2.gz OABMAKLOZMNCPP-UHFFFAOYSA-N 1 2 283.335 1.572 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)Nc1cnccc1C#N ZINC000895801861 619852038 /nfs/dbraw/zinc/85/20/38/619852038.db2.gz UQMXNPHFEDGQPV-ZDUSSCGKSA-N 1 2 260.341 1.476 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000897449492 620835417 /nfs/dbraw/zinc/83/54/17/620835417.db2.gz YHIWKIPRCKHTPB-AWEZNQCLSA-N 1 2 265.316 1.609 20 30 CDEDLO Cc1c(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cnn1CCC#N ZINC000897730530 621106326 /nfs/dbraw/zinc/10/63/26/621106326.db2.gz OPROECOHLSOKCY-GFCCVEGCSA-N 1 2 298.350 1.047 20 30 CDEDLO Cc1cc(C[NH+]2CC(N3CCCC3=O)C2)ccc1C#N ZINC000897784256 621120820 /nfs/dbraw/zinc/12/08/20/621120820.db2.gz RMASDTCQPCHASP-UHFFFAOYSA-N 1 2 269.348 1.673 20 30 CDEDLO C=C1C[NH+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000899900980 622517037 /nfs/dbraw/zinc/51/70/37/622517037.db2.gz ZUKFSWWEQXHZFR-GFCCVEGCSA-N 1 2 253.729 1.952 20 30 CDEDLO C/C(=C\C(=O)NC1(C#N)CCCCC1)C[NH+]1CCOCC1 ZINC000900464873 623094918 /nfs/dbraw/zinc/09/49/18/623094918.db2.gz SUVGKCABKXAXMJ-SDNWHVSQSA-N 1 2 291.395 1.608 20 30 CDEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H](C#N)C(C)(C)C)[nH]n1 ZINC000900971959 623706322 /nfs/dbraw/zinc/70/63/22/623706322.db2.gz LYPCSGFFOWOVHN-CHWSQXEVSA-N 1 2 289.383 1.844 20 30 CDEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H](C#N)C(C)(C)C)[nH]n1 ZINC000900971959 623706325 /nfs/dbraw/zinc/70/63/25/623706325.db2.gz LYPCSGFFOWOVHN-CHWSQXEVSA-N 1 2 289.383 1.844 20 30 CDEDLO Cn1ccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)n1 ZINC000901543810 624341888 /nfs/dbraw/zinc/34/18/88/624341888.db2.gz QBLVQYBBJNATHL-PLNGDYQASA-N 1 2 276.365 1.834 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H](C#N)C1 ZINC000905143252 626655472 /nfs/dbraw/zinc/65/54/72/626655472.db2.gz XNPWQRYFLRILNX-VXGBXAGGSA-N 1 2 261.329 1.217 20 30 CDEDLO Cc1cc(C)c(C(=O)NC2CCN(CC#N)CC2)c(C)[nH+]1 ZINC000906612466 627339283 /nfs/dbraw/zinc/33/92/83/627339283.db2.gz RLLGYNMRGYRHIG-UHFFFAOYSA-N 1 2 286.379 1.725 20 30 CDEDLO CC1(C#N)CCN(C(=O)CNc2cccc[nH+]2)CC1 ZINC000907259055 627583021 /nfs/dbraw/zinc/58/30/21/627583021.db2.gz VCPYKRCVCSIXFT-UHFFFAOYSA-N 1 2 258.325 1.646 20 30 CDEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@]3(CCOC3)C2)c1=S ZINC000151242900 630433920 /nfs/dbraw/zinc/43/39/20/630433920.db2.gz LGVIBGSSZMHETL-AWEZNQCLSA-N 1 2 294.424 1.978 20 30 CDEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@]3(CCOC3)C2)c1=S ZINC000151242900 630433921 /nfs/dbraw/zinc/43/39/21/630433921.db2.gz LGVIBGSSZMHETL-AWEZNQCLSA-N 1 2 294.424 1.978 20 30 CDEDLO C#CCOCCC(=O)NCCCNc1cccc[nH+]1 ZINC000152483026 631069607 /nfs/dbraw/zinc/06/96/07/631069607.db2.gz HKOSGIKLVUAPAV-UHFFFAOYSA-N 1 2 261.325 1.040 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NCCCCC#N ZINC000916742923 632071363 /nfs/dbraw/zinc/07/13/63/632071363.db2.gz GMHMVEOUAULMMG-CYBMUJFWSA-N 1 2 282.388 1.090 20 30 CDEDLO N#C[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000921626334 633106521 /nfs/dbraw/zinc/10/65/21/633106521.db2.gz AGAJQGDFJYXKHG-KBPBESRZSA-N 1 2 299.378 1.605 20 30 CDEDLO C=CCOCCCC(=O)OCCc1c[nH+]cn1C ZINC000793237883 1162403191 /nfs/dbraw/zinc/40/31/91/1162403191.db2.gz KYRTVQXGAXOEMH-UHFFFAOYSA-N 1 2 252.314 1.489 20 30 CDEDLO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1scnc1C ZINC001024337935 1159396844 /nfs/dbraw/zinc/39/68/44/1159396844.db2.gz UOYMMPIZMSMJQD-GFCCVEGCSA-N 1 2 277.393 1.669 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1scnc1C ZINC001024337935 1159396849 /nfs/dbraw/zinc/39/68/49/1159396849.db2.gz UOYMMPIZMSMJQD-GFCCVEGCSA-N 1 2 277.393 1.669 20 30 CDEDLO COCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029177829 1160157484 /nfs/dbraw/zinc/15/74/84/1160157484.db2.gz NGZJEMBGZSWJNS-IYBDPMFKSA-N 1 2 299.374 1.380 20 30 CDEDLO COCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029177829 1160157486 /nfs/dbraw/zinc/15/74/86/1160157486.db2.gz NGZJEMBGZSWJNS-IYBDPMFKSA-N 1 2 299.374 1.380 20 30 CDEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2ccc3[nH]nnc3c2)[C@H]1CC ZINC001087824928 1160268951 /nfs/dbraw/zinc/26/89/51/1160268951.db2.gz DZTXLIUKCRDZNO-DZGCQCFKSA-N 1 2 299.378 1.727 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3[nH]nnc3c2)[C@H]1CC ZINC001087824928 1160268961 /nfs/dbraw/zinc/26/89/61/1160268961.db2.gz DZTXLIUKCRDZNO-DZGCQCFKSA-N 1 2 299.378 1.727 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2n[nH]nc21 ZINC001085612942 1161948311 /nfs/dbraw/zinc/94/83/11/1161948311.db2.gz DRRMBXYGASNMRN-LLVKDONJSA-N 1 2 285.351 1.290 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2n[nH]nc21 ZINC001085612942 1161948314 /nfs/dbraw/zinc/94/83/14/1161948314.db2.gz DRRMBXYGASNMRN-LLVKDONJSA-N 1 2 285.351 1.290 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2nn[nH]c21 ZINC001085612942 1161948319 /nfs/dbraw/zinc/94/83/19/1161948319.db2.gz DRRMBXYGASNMRN-LLVKDONJSA-N 1 2 285.351 1.290 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2nn[nH]c21 ZINC001085612942 1161948324 /nfs/dbraw/zinc/94/83/24/1161948324.db2.gz DRRMBXYGASNMRN-LLVKDONJSA-N 1 2 285.351 1.290 20 30 CDEDLO C=CCCC1(C(=O)NCC[NH2+]Cc2nc(C)no2)CC1 ZINC001133375709 1163659945 /nfs/dbraw/zinc/65/99/45/1163659945.db2.gz FHPUAHLKMKNUAJ-UHFFFAOYSA-N 1 2 278.356 1.330 20 30 CDEDLO C=CCC1(NC(=O)/C=C/C[NH+]2CCOCC2)CCOCC1 ZINC000869259440 1165041288 /nfs/dbraw/zinc/04/12/88/1165041288.db2.gz RRFBCKGWWPOTGH-ONEGZZNKSA-N 1 2 294.395 1.116 20 30 CDEDLO N#Cc1cc(C(=O)OCCc2cn3c([nH+]2)CCCC3)c[nH]1 ZINC001646873719 1168212088 /nfs/dbraw/zinc/21/20/88/1168212088.db2.gz MURWVWZWWNUINX-UHFFFAOYSA-N 1 2 284.319 1.819 20 30 CDEDLO Cc1nc(C(=O)OCCc2c[nH+]cn2C)ccc1C#N ZINC001649830854 1169412347 /nfs/dbraw/zinc/41/23/47/1169412347.db2.gz VVRBCQGIBOKUMP-UHFFFAOYSA-N 1 2 270.292 1.395 20 30 CDEDLO N#CCc1ccc(COC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC001574242386 1170929054 /nfs/dbraw/zinc/92/90/54/1170929054.db2.gz XLNXWPZRNQIRTG-CQSZACIVSA-N 1 2 258.321 1.938 20 30 CDEDLO O=C1C(=Cc2[nH]cc[nH+]2)CCc2cc(-c3nn[nH]n3)cnc21 ZINC001593379355 1174073578 /nfs/dbraw/zinc/07/35/78/1174073578.db2.gz CWOSJXXKYXPSOX-RMKNXTFCSA-N 1 2 293.290 1.197 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nnc(C)o2)C1 ZINC001713923866 1178850290 /nfs/dbraw/zinc/85/02/90/1178850290.db2.gz QNYDFTAOOAUZEV-AAEUAGOBSA-N 1 2 292.383 1.986 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CCOC1 ZINC001714576346 1179231203 /nfs/dbraw/zinc/23/12/03/1179231203.db2.gz BQYSOQQXZHVGAM-LLVKDONJSA-N 1 2 260.765 1.214 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CCOC1 ZINC001714576346 1179231205 /nfs/dbraw/zinc/23/12/05/1179231205.db2.gz BQYSOQQXZHVGAM-LLVKDONJSA-N 1 2 260.765 1.214 20 30 CDEDLO O=C(C#CC1CC1)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001714993830 1179496384 /nfs/dbraw/zinc/49/63/84/1179496384.db2.gz CDVFNZUQOJWGTQ-SFHVURJKSA-N 1 2 292.382 1.642 20 30 CDEDLO O=C(C#CC1CC1)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001714993830 1179496390 /nfs/dbraw/zinc/49/63/90/1179496390.db2.gz CDVFNZUQOJWGTQ-SFHVURJKSA-N 1 2 292.382 1.642 20 30 CDEDLO Cc1nc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C#CC(C)C)C2)no1 ZINC001752727012 1184901653 /nfs/dbraw/zinc/90/16/53/1184901653.db2.gz ZKIVMQGDSRWURW-RTXFEEFZSA-N 1 2 290.367 1.335 20 30 CDEDLO CC#CC[NH2+][C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001752876378 1184946585 /nfs/dbraw/zinc/94/65/85/1184946585.db2.gz XWZZNEKJGPHGHN-SFYZADRCSA-N 1 2 254.227 1.004 20 30 CDEDLO CC#CC[NH2+][C@H](C)CNC(=O)[C@H](F)C(F)(F)F ZINC001752876378 1184946589 /nfs/dbraw/zinc/94/65/89/1184946589.db2.gz XWZZNEKJGPHGHN-SFYZADRCSA-N 1 2 254.227 1.004 20 30 CDEDLO CC(C)C#CC(=O)N(C)CC[NH2+][C@H](C)c1csnn1 ZINC001753187819 1185109773 /nfs/dbraw/zinc/10/97/73/1185109773.db2.gz WGUAENLPGZCSFM-LLVKDONJSA-N 1 2 280.397 1.307 20 30 CDEDLO C#CCCCCC(=O)NC1C[NH+](C[C@H]2CC[C@@H](C)O2)C1 ZINC001753374480 1185174777 /nfs/dbraw/zinc/17/47/77/1185174777.db2.gz FUQZZILRCZFBOI-UKRRQHHQSA-N 1 2 278.396 1.548 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](OC)C1CCCCC1 ZINC001754504385 1185647558 /nfs/dbraw/zinc/64/75/58/1185647558.db2.gz HXIPLOXWNJXXGN-HUUCEWRRSA-N 1 2 278.396 1.405 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](OC)C1CCCCC1 ZINC001754504385 1185647559 /nfs/dbraw/zinc/64/75/59/1185647559.db2.gz HXIPLOXWNJXXGN-HUUCEWRRSA-N 1 2 278.396 1.405 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC1([NH2+]Cc2nnc(C)[nH]2)CC1 ZINC001754522683 1185657334 /nfs/dbraw/zinc/65/73/34/1185657334.db2.gz VAJCAFKOIVLLGH-GFCCVEGCSA-N 1 2 291.399 1.454 20 30 CDEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)C[C@H]1CC=CCC1 ZINC001754970776 1185773868 /nfs/dbraw/zinc/77/38/68/1185773868.db2.gz ZVVAPPDIPDOMDH-HOTGVXAUSA-N 1 2 290.407 1.573 20 30 CDEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@H]1CC=CCC1 ZINC001754970776 1185773874 /nfs/dbraw/zinc/77/38/74/1185773874.db2.gz ZVVAPPDIPDOMDH-HOTGVXAUSA-N 1 2 290.407 1.573 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](CC)OCC)CCO2 ZINC001755049131 1185800021 /nfs/dbraw/zinc/80/00/21/1185800021.db2.gz QRYZGHVQEHVROO-CQSZACIVSA-N 1 2 296.411 1.291 20 30 CDEDLO CC(C)C#CC(=O)N[C@H]1CC[N@H+](Cc2ccon2)[C@@H](C)C1 ZINC001755161255 1185835685 /nfs/dbraw/zinc/83/56/85/1185835685.db2.gz VNOMOUGMFJRFMS-KBPBESRZSA-N 1 2 289.379 1.803 20 30 CDEDLO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](Cc2ccon2)[C@@H](C)C1 ZINC001755161255 1185835687 /nfs/dbraw/zinc/83/56/87/1185835687.db2.gz VNOMOUGMFJRFMS-KBPBESRZSA-N 1 2 289.379 1.803 20 30 CDEDLO C#CC[NH2+]CCC[C@H](C)NC(=O)c1cncc2nc[nH]c21 ZINC001755500364 1185973179 /nfs/dbraw/zinc/97/31/79/1185973179.db2.gz IWICABPSFKIJAK-NSHDSACASA-N 1 2 285.351 1.079 20 30 CDEDLO Cc1cc(NC(=O)[C@H](C)n2cc[nH+]c2)nn1CCC#N ZINC001771639929 1186820652 /nfs/dbraw/zinc/82/06/52/1186820652.db2.gz UZUDFNCSLNZWST-NSHDSACASA-N 1 2 272.312 1.501 20 30 CDEDLO N#CCc1ccc(OC[C@H](O)C[NH2+]CC(F)F)cc1 ZINC001772049489 1187026472 /nfs/dbraw/zinc/02/64/72/1187026472.db2.gz ZNOUCHPJUVVPGP-LLVKDONJSA-N 1 2 270.279 1.347 20 30 CDEDLO C#CC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000844046594 1164243925 /nfs/dbraw/zinc/24/39/25/1164243925.db2.gz CEOOALSFYSRTKS-CYBMUJFWSA-N 1 2 257.337 1.317 20 30 CDEDLO C=CC[NH+]1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC001165033697 721863447 /nfs/dbraw/zinc/86/34/47/721863447.db2.gz VRSXUPLPKRLOAA-UHFFFAOYSA-N 1 2 262.313 1.606 20 30 CDEDLO Cc1cc(N(C)CC(C)(C)C#N)c(-c2nn[nH]n2)c[nH+]1 ZINC001609404157 1164932832 /nfs/dbraw/zinc/93/28/32/1164932832.db2.gz GLILPICYNZOKLM-UHFFFAOYSA-N 1 2 271.328 1.556 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000874712180 1165659378 /nfs/dbraw/zinc/65/93/78/1165659378.db2.gz VLWRZNUJYBRAEW-ZDUSSCGKSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000874712180 1165659380 /nfs/dbraw/zinc/65/93/80/1165659380.db2.gz VLWRZNUJYBRAEW-ZDUSSCGKSA-N 1 2 268.401 1.816 20 30 CDEDLO C[NH+]1CC2(C1)CCCN(C(=O)c1cccc(C#N)c1O)C2 ZINC001275734572 1166703634 /nfs/dbraw/zinc/70/36/34/1166703634.db2.gz KDJWCAKQHMITQS-UHFFFAOYSA-N 1 2 285.347 1.432 20 30 CDEDLO C#CC[NH+](CC#C)[C@H]1COc2cccc(OC)c2C1 ZINC001173169187 912291619 /nfs/dbraw/zinc/29/16/19/912291619.db2.gz YTLBVQKNHAZQGG-CYBMUJFWSA-N 1 2 255.317 1.567 20 30 CDEDLO C[C@H]1C[C@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)CCO1 ZINC001173172522 912298157 /nfs/dbraw/zinc/29/81/57/912298157.db2.gz VBIBMFKQCCERAR-MVWJERBFSA-N 1 2 253.367 1.828 20 30 CDEDLO C[C@H]1C[C@H]([N@H+]2CC[C@H]3SC(=O)C=C3C2)CCO1 ZINC001173172522 912298173 /nfs/dbraw/zinc/29/81/73/912298173.db2.gz VBIBMFKQCCERAR-MVWJERBFSA-N 1 2 253.367 1.828 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2coc3ccc(OC)cc32)C1 ZINC001030656122 912340478 /nfs/dbraw/zinc/34/04/78/912340478.db2.gz OXMKDWARYOIXDV-UHFFFAOYSA-N 1 2 298.342 1.879 20 30 CDEDLO Cc1nc(N2CCCN(C(=O)C#CC(C)C)CC2)cc[nH+]1 ZINC001095178023 912566493 /nfs/dbraw/zinc/56/64/93/912566493.db2.gz LTKVMOVOPFBNSI-UHFFFAOYSA-N 1 2 286.379 1.483 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncs1)C2 ZINC001095216595 912619791 /nfs/dbraw/zinc/61/97/91/912619791.db2.gz RSDRESLLWGPTRB-VWYCJHECSA-N 1 2 261.350 1.111 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncs1)C2 ZINC001095216595 912619799 /nfs/dbraw/zinc/61/97/99/912619799.db2.gz RSDRESLLWGPTRB-VWYCJHECSA-N 1 2 261.350 1.111 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(C)cn3ccnc23)C1 ZINC001030734777 912658866 /nfs/dbraw/zinc/65/88/66/912658866.db2.gz LAEHUDPNVZTTQJ-UHFFFAOYSA-N 1 2 284.363 1.633 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc[nH]n1)C2 ZINC001095255730 912812828 /nfs/dbraw/zinc/81/28/28/912812828.db2.gz WJJGZCKCQVXZFA-AGIUHOORSA-N 1 2 294.786 1.426 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc[nH]n1)C2 ZINC001095255730 912812846 /nfs/dbraw/zinc/81/28/46/912812846.db2.gz WJJGZCKCQVXZFA-AGIUHOORSA-N 1 2 294.786 1.426 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C2CCC(F)CC2)C1 ZINC001030905013 913049346 /nfs/dbraw/zinc/04/93/46/913049346.db2.gz YCEWEOPFUNYGHD-UHFFFAOYSA-N 1 2 254.349 1.891 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cccnc2C)C1 ZINC001030950444 913255387 /nfs/dbraw/zinc/25/53/87/913255387.db2.gz XSHULYPKMHCATA-UHFFFAOYSA-N 1 2 259.353 1.309 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](OCC)C(C)C ZINC001234234673 913379845 /nfs/dbraw/zinc/37/98/45/913379845.db2.gz JZOIWHWJGQEPTC-ZIAGYGMSSA-N 1 2 266.385 1.213 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](OCC)C(C)C ZINC001234234673 913379856 /nfs/dbraw/zinc/37/98/56/913379856.db2.gz JZOIWHWJGQEPTC-ZIAGYGMSSA-N 1 2 266.385 1.213 20 30 CDEDLO Cc1nc(C#N)cnc1Nc1ccc(N(C)C)[nH+]c1 ZINC001175340342 913549049 /nfs/dbraw/zinc/54/90/49/913549049.db2.gz DXRHSBGBQJXDKL-UHFFFAOYSA-N 1 2 254.297 1.861 20 30 CDEDLO C#Cc1cc(Nc2ccc(-c3nn[nH]n3)cc2)cc[nH+]1 ZINC001175421786 913600359 /nfs/dbraw/zinc/60/03/59/913600359.db2.gz CEKCXEYBSMITSO-UHFFFAOYSA-N 1 2 262.276 1.409 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2scnc2C)[C@H]1C ZINC000993064726 913698165 /nfs/dbraw/zinc/69/81/65/913698165.db2.gz CEAQMIVDLVUKIT-NEPJUHHUSA-N 1 2 277.393 1.667 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2scnc2C)[C@H]1C ZINC000993064726 913698172 /nfs/dbraw/zinc/69/81/72/913698172.db2.gz CEAQMIVDLVUKIT-NEPJUHHUSA-N 1 2 277.393 1.667 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001031165565 913822701 /nfs/dbraw/zinc/82/27/01/913822701.db2.gz KFXIVLXBANAYIV-UHFFFAOYSA-N 1 2 259.353 1.882 20 30 CDEDLO CNC(=O)c1ccc(CO[NH+]=C(N)Cc2cccnc2)cc1 ZINC000187843329 894094434 /nfs/dbraw/zinc/09/44/34/894094434.db2.gz WIHTYKWBXMIAHA-UHFFFAOYSA-N 1 2 298.346 1.473 20 30 CDEDLO C=CCCC[N@H+]1C[C@](O)(C(F)(F)F)C[C@H]1C(=O)OC ZINC001209157477 894509166 /nfs/dbraw/zinc/50/91/66/894509166.db2.gz WLAVDMRRWJZXAZ-ONGXEEELSA-N 1 2 281.274 1.493 20 30 CDEDLO C=CCCC[N@@H+]1C[C@](O)(C(F)(F)F)C[C@H]1C(=O)OC ZINC001209157477 894509178 /nfs/dbraw/zinc/50/91/78/894509178.db2.gz WLAVDMRRWJZXAZ-ONGXEEELSA-N 1 2 281.274 1.493 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)sn1 ZINC001038202205 895547671 /nfs/dbraw/zinc/54/76/71/895547671.db2.gz RKMPCUWFYNXILI-LLVKDONJSA-N 1 2 263.366 1.279 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)sn1 ZINC001038202205 895547683 /nfs/dbraw/zinc/54/76/83/895547683.db2.gz RKMPCUWFYNXILI-LLVKDONJSA-N 1 2 263.366 1.279 20 30 CDEDLO COC(=O)c1c[nH]c2nc[nH+]c(NC(=O)C(C)(C)C#N)c21 ZINC001143395869 896106122 /nfs/dbraw/zinc/10/61/22/896106122.db2.gz QVIHTSNEUCTFKC-UHFFFAOYSA-N 1 2 287.279 1.233 20 30 CDEDLO Cc1cc(NC(=O)CO[NH+]=C(N)c2ccccc2)n(C)n1 ZINC000176284565 896551414 /nfs/dbraw/zinc/55/14/14/896551414.db2.gz PRRZGFWXPVXNBJ-UHFFFAOYSA-N 1 2 287.323 1.004 20 30 CDEDLO Cc1cc(C)c(C(=O)N2CC[C@H](N(C)CC#N)C2)c(C)[nH+]1 ZINC000971978415 896625701 /nfs/dbraw/zinc/62/57/01/896625701.db2.gz ITNDISKUSSHUEB-AWEZNQCLSA-N 1 2 286.379 1.677 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC001031234634 914185845 /nfs/dbraw/zinc/18/58/45/914185845.db2.gz FBTPVDMSOQGXAK-UHFFFAOYSA-N 1 2 274.368 1.145 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCOC2)C1 ZINC001006881966 897819049 /nfs/dbraw/zinc/81/90/49/897819049.db2.gz OJOQCIBDQLLXTR-QWHCGFSZSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCOC2)C1 ZINC001006881966 897819053 /nfs/dbraw/zinc/81/90/53/897819053.db2.gz OJOQCIBDQLLXTR-QWHCGFSZSA-N 1 2 286.803 1.746 20 30 CDEDLO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC001024528828 898102068 /nfs/dbraw/zinc/10/20/68/898102068.db2.gz NACWCYFNNDWLOQ-LBPRGKRZSA-N 1 2 288.395 1.669 20 30 CDEDLO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC001024528828 898102076 /nfs/dbraw/zinc/10/20/76/898102076.db2.gz NACWCYFNNDWLOQ-LBPRGKRZSA-N 1 2 288.395 1.669 20 30 CDEDLO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1snnc1CC ZINC001024538541 898118336 /nfs/dbraw/zinc/11/83/36/898118336.db2.gz QBSGRADGAXDMIY-NSHDSACASA-N 1 2 292.408 1.318 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1snnc1CC ZINC001024538541 898118348 /nfs/dbraw/zinc/11/83/48/898118348.db2.gz QBSGRADGAXDMIY-NSHDSACASA-N 1 2 292.408 1.318 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CC[C@H]1CCOC1 ZINC001419957807 898853548 /nfs/dbraw/zinc/85/35/48/898853548.db2.gz QNOJOIBLQUNVSM-ZDUSSCGKSA-N 1 2 288.819 1.946 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CC[C@H]1CCOC1 ZINC001419957807 898853557 /nfs/dbraw/zinc/85/35/57/898853557.db2.gz QNOJOIBLQUNVSM-ZDUSSCGKSA-N 1 2 288.819 1.946 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCN1c1ccccc1 ZINC001038334405 899151586 /nfs/dbraw/zinc/15/15/86/899151586.db2.gz DPVIWQKKUDSFAD-IRXDYDNUSA-N 1 2 297.402 1.479 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCN1c1ccccc1 ZINC001038334405 899151595 /nfs/dbraw/zinc/15/15/95/899151595.db2.gz DPVIWQKKUDSFAD-IRXDYDNUSA-N 1 2 297.402 1.479 20 30 CDEDLO N#CC1(NC(=O)CCn2cc[nH+]c2)Cc2ccccc2C1 ZINC001176883090 914338597 /nfs/dbraw/zinc/33/85/97/914338597.db2.gz CQTBZUDSOPYTRA-UHFFFAOYSA-N 1 2 280.331 1.451 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001267747958 899556680 /nfs/dbraw/zinc/55/66/80/899556680.db2.gz IVJZBHXPMSCUGE-CQSZACIVSA-N 1 2 288.395 1.832 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1CC[N@H+](Cc2cnc(C)cn2)C1 ZINC001267747958 899556689 /nfs/dbraw/zinc/55/66/89/899556689.db2.gz IVJZBHXPMSCUGE-CQSZACIVSA-N 1 2 288.395 1.832 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2snnc2CC)[C@@H]1C ZINC000993556090 914374130 /nfs/dbraw/zinc/37/41/30/914374130.db2.gz LOSCTOLDIXICIS-CMPLNLGQSA-N 1 2 292.408 1.316 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2snnc2CC)[C@@H]1C ZINC000993556090 914374145 /nfs/dbraw/zinc/37/41/45/914374145.db2.gz LOSCTOLDIXICIS-CMPLNLGQSA-N 1 2 292.408 1.316 20 30 CDEDLO C#CCCCCC(=O)NCC[NH2+][C@H](C)c1nc(CC)no1 ZINC001125951868 900231918 /nfs/dbraw/zinc/23/19/18/900231918.db2.gz YNBFKFJGEIJDHU-GFCCVEGCSA-N 1 2 292.383 1.592 20 30 CDEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(C)=O)C1 ZINC001027256023 900389136 /nfs/dbraw/zinc/38/91/36/900389136.db2.gz UQMWNAFPBREAAM-NSHDSACASA-N 1 2 275.190 1.838 20 30 CDEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(C)=O)C1 ZINC001027256023 900389150 /nfs/dbraw/zinc/38/91/50/900389150.db2.gz UQMWNAFPBREAAM-NSHDSACASA-N 1 2 275.190 1.838 20 30 CDEDLO C[N@H+](Cc1ncccn1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027407080 900478588 /nfs/dbraw/zinc/47/85/88/900478588.db2.gz ZTNXWUKQYSVVQM-HNNXBMFYSA-N 1 2 298.390 1.313 20 30 CDEDLO C[N@@H+](Cc1ncccn1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027407080 900478594 /nfs/dbraw/zinc/47/85/94/900478594.db2.gz ZTNXWUKQYSVVQM-HNNXBMFYSA-N 1 2 298.390 1.313 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1-n1cccn1 ZINC001038741935 900515747 /nfs/dbraw/zinc/51/57/47/900515747.db2.gz ZEYNTKBKUKWNAW-CQSZACIVSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1-n1cccn1 ZINC001038741935 900515754 /nfs/dbraw/zinc/51/57/54/900515754.db2.gz ZEYNTKBKUKWNAW-CQSZACIVSA-N 1 2 294.358 1.310 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001027770615 900803160 /nfs/dbraw/zinc/80/31/60/900803160.db2.gz XRWJWNJGQQPABR-LLVKDONJSA-N 1 2 268.748 1.356 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001027770615 900803164 /nfs/dbraw/zinc/80/31/64/900803164.db2.gz XRWJWNJGQQPABR-LLVKDONJSA-N 1 2 268.748 1.356 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)c(C)c1 ZINC001038815816 900960924 /nfs/dbraw/zinc/96/09/24/900960924.db2.gz MVBPDORYWBICCE-OAHLLOKOSA-N 1 2 286.375 1.831 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)c(C)c1 ZINC001038815816 900960932 /nfs/dbraw/zinc/96/09/32/900960932.db2.gz MVBPDORYWBICCE-OAHLLOKOSA-N 1 2 286.375 1.831 20 30 CDEDLO Cc1cc(N[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001058853580 901135456 /nfs/dbraw/zinc/13/54/56/901135456.db2.gz NIEBSXSFMMKHJP-GWCFXTLKSA-N 1 2 299.378 1.835 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc3ccccc3oc2=O)C1 ZINC001031342498 914536555 /nfs/dbraw/zinc/53/65/55/914536555.db2.gz DUEVRYOHYYCQCR-UHFFFAOYSA-N 1 2 298.342 1.783 20 30 CDEDLO C=CC[C@@](C)(NC(=O)CN(C)c1cccc[nH+]1)C(=O)OC ZINC001177416677 914671840 /nfs/dbraw/zinc/67/18/40/914671840.db2.gz DJIHMZKBQPXCFT-OAHLLOKOSA-N 1 2 291.351 1.142 20 30 CDEDLO CC(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001031504964 914682015 /nfs/dbraw/zinc/68/20/15/914682015.db2.gz VAWQGFKVRMDFBS-UHFFFAOYSA-N 1 2 276.767 1.759 20 30 CDEDLO Cc1cc(C)c(C(=O)NC[C@@H]2CCN(CC#N)C2)c(C)[nH+]1 ZINC001028701013 903702576 /nfs/dbraw/zinc/70/25/76/903702576.db2.gz RXKLRXVPICWWFR-AWEZNQCLSA-N 1 2 286.379 1.582 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc[nH]c2C)C1 ZINC001031605324 914784410 /nfs/dbraw/zinc/78/44/10/914784410.db2.gz AUOBCMSSFLAOFS-UHFFFAOYSA-N 1 2 267.760 1.737 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccnc1 ZINC001029244095 905230488 /nfs/dbraw/zinc/23/04/88/905230488.db2.gz XIZBYJQLDVCNDB-YUELXQCFSA-N 1 2 284.363 1.416 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccnc1 ZINC001029244095 905230503 /nfs/dbraw/zinc/23/05/03/905230503.db2.gz XIZBYJQLDVCNDB-YUELXQCFSA-N 1 2 284.363 1.416 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncn(C)n2)[C@H]1CC ZINC001087563894 905688059 /nfs/dbraw/zinc/68/80/59/905688059.db2.gz VZLGYPARYZZBHQ-WDEREUQCSA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncn(C)n2)[C@H]1CC ZINC001087563894 905688074 /nfs/dbraw/zinc/68/80/74/905688074.db2.gz VZLGYPARYZZBHQ-WDEREUQCSA-N 1 2 297.790 1.150 20 30 CDEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001567870036 1169031625 /nfs/dbraw/zinc/03/16/25/1169031625.db2.gz ABCHILPJHKTLFO-AWEZNQCLSA-N 1 2 277.343 1.877 20 30 CDEDLO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001567870036 1169031633 /nfs/dbraw/zinc/03/16/33/1169031633.db2.gz ABCHILPJHKTLFO-AWEZNQCLSA-N 1 2 277.343 1.877 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncs1 ZINC001110401705 921180679 /nfs/dbraw/zinc/18/06/79/921180679.db2.gz MGZWKBYKALVVMX-YGNMPJRFSA-N 1 2 290.392 1.524 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncs1 ZINC001110401705 921180681 /nfs/dbraw/zinc/18/06/81/921180681.db2.gz MGZWKBYKALVVMX-YGNMPJRFSA-N 1 2 290.392 1.524 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1n[nH]c(C2CC2)c1Cl ZINC001038453351 906126356 /nfs/dbraw/zinc/12/63/56/906126356.db2.gz YAEFKVXNFSTRFM-SNVBAGLBSA-N 1 2 292.770 1.378 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1n[nH]c(C2CC2)c1Cl ZINC001038453351 906126361 /nfs/dbraw/zinc/12/63/61/906126361.db2.gz YAEFKVXNFSTRFM-SNVBAGLBSA-N 1 2 292.770 1.378 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nc(CCCC)no1 ZINC001128405230 921295723 /nfs/dbraw/zinc/29/57/23/921295723.db2.gz UZGBAZROZGBEEW-UHFFFAOYSA-N 1 2 294.399 1.974 20 30 CDEDLO C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CCO1 ZINC001168120107 907232873 /nfs/dbraw/zinc/23/28/73/907232873.db2.gz VBIBMFKQCCERAR-JLLWLGSASA-N 1 2 253.367 1.828 20 30 CDEDLO C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3SC(=O)C=C3C2)CCO1 ZINC001168120107 907232890 /nfs/dbraw/zinc/23/28/90/907232890.db2.gz VBIBMFKQCCERAR-JLLWLGSASA-N 1 2 253.367 1.828 20 30 CDEDLO COc1ccc(C#N)c(C(=O)N2CCc3[nH+]ccn3CC2)c1 ZINC001189084227 921318017 /nfs/dbraw/zinc/31/80/17/921318017.db2.gz HYORCOWNQYBABD-UHFFFAOYSA-N 1 2 296.330 1.462 20 30 CDEDLO C=CCN(CC(=O)OCC)Cc1cccc2[nH+]ccn21 ZINC000179750917 907529201 /nfs/dbraw/zinc/52/92/01/907529201.db2.gz DBDNJVCHDRSJQT-UHFFFAOYSA-N 1 2 273.336 1.885 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2)[C@H](O)C1 ZINC001090025222 921383760 /nfs/dbraw/zinc/38/37/60/921383760.db2.gz CYRSFSHDUDTCDH-UONOGXRCSA-N 1 2 294.782 1.604 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2)[C@H](O)C1 ZINC001090025222 921383775 /nfs/dbraw/zinc/38/37/75/921383775.db2.gz CYRSFSHDUDTCDH-UONOGXRCSA-N 1 2 294.782 1.604 20 30 CDEDLO CCn1nnc(C)c1CO[NH+]=C(N)c1ccc(OC)cc1 ZINC000842021385 908877374 /nfs/dbraw/zinc/87/73/74/908877374.db2.gz MRQWINVINYDBDG-UHFFFAOYSA-N 1 2 289.339 1.452 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2sccc2Cl)[C@@H](O)C1 ZINC001083482338 909385064 /nfs/dbraw/zinc/38/50/64/909385064.db2.gz ZNDSPKRWTRDKOT-ZJUUUORDSA-N 1 2 286.784 1.362 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2sccc2Cl)[C@@H](O)C1 ZINC001083482338 909385072 /nfs/dbraw/zinc/38/50/72/909385072.db2.gz ZNDSPKRWTRDKOT-ZJUUUORDSA-N 1 2 286.784 1.362 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC13CC3)c1nccn12 ZINC001092399783 909386160 /nfs/dbraw/zinc/38/61/60/909386160.db2.gz GNSYKNBGYNPVLH-QWHCGFSZSA-N 1 2 298.390 1.441 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cn2cc(C)cn2)C1 ZINC001032937417 921505743 /nfs/dbraw/zinc/50/57/43/921505743.db2.gz HCGKTTKGKCFEIG-ZDUSSCGKSA-N 1 2 296.802 1.477 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc(C)cn2)C1 ZINC001032937417 921505750 /nfs/dbraw/zinc/50/57/50/921505750.db2.gz HCGKTTKGKCFEIG-ZDUSSCGKSA-N 1 2 296.802 1.477 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001033019742 921566917 /nfs/dbraw/zinc/56/69/17/921566917.db2.gz KHDXYZRAAZGLNP-ZDUSSCGKSA-N 1 2 292.770 1.785 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001033019742 921566924 /nfs/dbraw/zinc/56/69/24/921566924.db2.gz KHDXYZRAAZGLNP-ZDUSSCGKSA-N 1 2 292.770 1.785 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2c(C)nn(C)c2Cl)CC1 ZINC000128924722 910330629 /nfs/dbraw/zinc/33/06/29/910330629.db2.gz WMQOSPLDMOWKRT-UHFFFAOYSA-N 1 2 294.786 1.163 20 30 CDEDLO CC(C)(C)c1ccccc1NC(=O)CO[NH+]=C(N)CCO ZINC000121370248 921614316 /nfs/dbraw/zinc/61/43/16/921614316.db2.gz XPOWRSZPYPCBFZ-UHFFFAOYSA-N 1 2 293.367 1.594 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC001030313704 911677172 /nfs/dbraw/zinc/67/71/72/911677172.db2.gz DLAOQBDNUQPURD-LBPRGKRZSA-N 1 2 274.368 1.206 20 30 CDEDLO COC(=O)[C@H]([NH3+])Cc1cn([C@@H](C)CCCC#N)cn1 ZINC001172490400 911727266 /nfs/dbraw/zinc/72/72/66/911727266.db2.gz GIGMFYZLNHUASP-CMPLNLGQSA-N 1 2 264.329 1.181 20 30 CDEDLO Cc1ncc(C#N)cc1NC(=O)CCc1[nH]cc[nH+]1 ZINC001177994684 915117219 /nfs/dbraw/zinc/11/72/19/915117219.db2.gz ZWSLLKJAFMXRQZ-UHFFFAOYSA-N 1 2 255.281 1.556 20 30 CDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccccn2)CC1 ZINC001004334033 921780483 /nfs/dbraw/zinc/78/04/83/921780483.db2.gz KFPWJNGFMHDQET-MRXNPFEDSA-N 1 2 298.390 1.922 20 30 CDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccccn2)CC1 ZINC001004334033 921780543 /nfs/dbraw/zinc/78/05/43/921780543.db2.gz KFPWJNGFMHDQET-MRXNPFEDSA-N 1 2 298.390 1.922 20 30 CDEDLO C=CCONC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000922767889 921798252 /nfs/dbraw/zinc/79/82/52/921798252.db2.gz ZPLJKBRWTMWYRZ-UHFFFAOYSA-N 1 2 276.340 1.785 20 30 CDEDLO C=CCCC(=O)NCC[NH2+]Cc1nc([C@@H](C)OCC)no1 ZINC001124645915 936327837 /nfs/dbraw/zinc/32/78/37/936327837.db2.gz BYDYKPXIKDTYNW-LLVKDONJSA-N 1 2 296.371 1.339 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001031864712 916799215 /nfs/dbraw/zinc/79/92/15/916799215.db2.gz PJKSKMDOVQYHID-KGLIPLIRSA-N 1 2 298.814 1.602 20 30 CDEDLO COc1cccc(NC(=O)Cc2cc[nH+]c(N)c2)c1C#N ZINC001181263320 916949455 /nfs/dbraw/zinc/94/94/55/916949455.db2.gz IJNHRAVCOKJFBV-UHFFFAOYSA-N 1 2 282.303 1.725 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c(C#N)c1 ZINC001137699558 936390979 /nfs/dbraw/zinc/39/09/79/936390979.db2.gz LNNGBKOXGMXMLI-HZPDHXFCSA-N 1 2 290.363 1.132 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c(C#N)c1 ZINC001137699558 936390984 /nfs/dbraw/zinc/39/09/84/936390984.db2.gz LNNGBKOXGMXMLI-HZPDHXFCSA-N 1 2 290.363 1.132 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001181511244 917115328 /nfs/dbraw/zinc/11/53/28/917115328.db2.gz JDOLIALJCWHNHN-GFCCVEGCSA-N 1 2 290.367 1.604 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CC1(C)CC1)CCO2 ZINC001053344518 936411621 /nfs/dbraw/zinc/41/16/21/936411621.db2.gz GAQMPZCJAODHHK-UHFFFAOYSA-N 1 2 278.396 1.666 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1(C(C)C)CC1)CCO2 ZINC001053420020 936413876 /nfs/dbraw/zinc/41/38/76/936413876.db2.gz BHOIFFDNWAUDRK-UHFFFAOYSA-N 1 2 292.423 1.912 20 30 CDEDLO C=C(C)C[N@H+](C)CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000182615461 917336111 /nfs/dbraw/zinc/33/61/11/917336111.db2.gz FFMIMPQCFMTNDZ-AWEZNQCLSA-N 1 2 252.358 1.873 20 30 CDEDLO C=C(C)C[N@@H+](C)CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000182615461 917336099 /nfs/dbraw/zinc/33/60/99/917336099.db2.gz FFMIMPQCFMTNDZ-AWEZNQCLSA-N 1 2 252.358 1.873 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1CC1 ZINC001054028340 936426208 /nfs/dbraw/zinc/42/62/08/936426208.db2.gz NJACUTHLUPWHIW-INIZCTEOSA-N 1 2 268.360 1.573 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1CC1 ZINC001054028340 936426209 /nfs/dbraw/zinc/42/62/09/936426209.db2.gz NJACUTHLUPWHIW-INIZCTEOSA-N 1 2 268.360 1.573 20 30 CDEDLO N#Cc1cccc(CCC(=O)NCCn2cc[nH+]c2)c1 ZINC001182337087 917808107 /nfs/dbraw/zinc/80/81/07/917808107.db2.gz PHZPKLVCFSDILE-UHFFFAOYSA-N 1 2 268.320 1.504 20 30 CDEDLO C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000996354966 918250809 /nfs/dbraw/zinc/25/08/09/918250809.db2.gz KKSJFILGCQKESS-CYBMUJFWSA-N 1 2 276.384 1.355 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C)n2C)C1 ZINC001107735455 918708610 /nfs/dbraw/zinc/70/86/10/918708610.db2.gz AIWXEMKHHGIPQM-INIZCTEOSA-N 1 2 291.395 1.340 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C)n2C)C1 ZINC001107735455 918708623 /nfs/dbraw/zinc/70/86/23/918708623.db2.gz AIWXEMKHHGIPQM-INIZCTEOSA-N 1 2 291.395 1.340 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC(C)(C)C)C1 ZINC001107740816 918712157 /nfs/dbraw/zinc/71/21/57/918712157.db2.gz BJCSNNGBEAFDRI-HNNXBMFYSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CC(C)(C)C)C1 ZINC001107740816 918712170 /nfs/dbraw/zinc/71/21/70/918712170.db2.gz BJCSNNGBEAFDRI-HNNXBMFYSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)C2CC2)C1 ZINC001107845897 918874383 /nfs/dbraw/zinc/87/43/83/918874383.db2.gz MJAHWKSDZQQQMB-WFASDCNBSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)C2CC2)C1 ZINC001107845897 918874399 /nfs/dbraw/zinc/87/43/99/918874399.db2.gz MJAHWKSDZQQQMB-WFASDCNBSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCCCO2)C1 ZINC001107859969 918913544 /nfs/dbraw/zinc/91/35/44/918913544.db2.gz ISFIMCAPTBWLOS-ZBFHGGJFSA-N 1 2 296.411 1.339 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCCCO2)C1 ZINC001107859969 918913554 /nfs/dbraw/zinc/91/35/54/918913554.db2.gz ISFIMCAPTBWLOS-ZBFHGGJFSA-N 1 2 296.411 1.339 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCc3ncn(C)c3C2)cc1 ZINC001138560234 936546631 /nfs/dbraw/zinc/54/66/31/936546631.db2.gz NCPJQALIWSHUCW-UHFFFAOYSA-N 1 2 281.359 1.990 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCc3ncn(C)c3C2)cc1 ZINC001138560234 936546633 /nfs/dbraw/zinc/54/66/33/936546633.db2.gz NCPJQALIWSHUCW-UHFFFAOYSA-N 1 2 281.359 1.990 20 30 CDEDLO C=CCc1cccc(C[N@@H+]2CCO[C@@H](C(C)=O)C2)c1O ZINC001138631088 936552836 /nfs/dbraw/zinc/55/28/36/936552836.db2.gz KKSSUYMUBZERGE-OAHLLOKOSA-N 1 2 275.348 1.911 20 30 CDEDLO C=CCc1cccc(C[N@H+]2CCO[C@@H](C(C)=O)C2)c1O ZINC001138631088 936552837 /nfs/dbraw/zinc/55/28/37/936552837.db2.gz KKSSUYMUBZERGE-OAHLLOKOSA-N 1 2 275.348 1.911 20 30 CDEDLO O=C(C#CC1CC1)N1CCC[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001050043495 936554481 /nfs/dbraw/zinc/55/44/81/936554481.db2.gz BVIXNCXUDHEXPL-GOEBONIOSA-N 1 2 299.374 1.511 20 30 CDEDLO O=C(C#CC1CC1)N1CCC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001050043495 936554483 /nfs/dbraw/zinc/55/44/83/936554483.db2.gz BVIXNCXUDHEXPL-GOEBONIOSA-N 1 2 299.374 1.511 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(F)cc1 ZINC001050781542 936563851 /nfs/dbraw/zinc/56/38/51/936563851.db2.gz SSTZBJSKHSBVMC-HNNXBMFYSA-N 1 2 292.354 1.832 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(F)cc1 ZINC001050781542 936563853 /nfs/dbraw/zinc/56/38/53/936563853.db2.gz SSTZBJSKHSBVMC-HNNXBMFYSA-N 1 2 292.354 1.832 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1[nH]ccc1C ZINC001050904691 936567042 /nfs/dbraw/zinc/56/70/42/936567042.db2.gz KTAIKSISDLZPSO-CYBMUJFWSA-N 1 2 277.368 1.330 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1[nH]ccc1C ZINC001050904691 936567043 /nfs/dbraw/zinc/56/70/43/936567043.db2.gz KTAIKSISDLZPSO-CYBMUJFWSA-N 1 2 277.368 1.330 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nnc2ccccc2n1 ZINC001032523108 919333605 /nfs/dbraw/zinc/33/36/05/919333605.db2.gz MTZVKUKCZXIGDL-RYUDHWBXSA-N 1 2 295.346 1.110 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nnc2ccccc2n1 ZINC001032523108 919333619 /nfs/dbraw/zinc/33/36/19/919333619.db2.gz MTZVKUKCZXIGDL-RYUDHWBXSA-N 1 2 295.346 1.110 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001032529699 919346860 /nfs/dbraw/zinc/34/68/60/919346860.db2.gz SLJXBMOVQSIMNW-LSTDLKDCSA-N 1 2 294.398 1.883 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001032529699 919346878 /nfs/dbraw/zinc/34/68/78/919346878.db2.gz SLJXBMOVQSIMNW-LSTDLKDCSA-N 1 2 294.398 1.883 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)c(C)cn1 ZINC001032532783 919351213 /nfs/dbraw/zinc/35/12/13/919351213.db2.gz IQJWKPOCEDIXJA-GJZGRUSLSA-N 1 2 283.375 1.620 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)c(C)cn1 ZINC001032532783 919351228 /nfs/dbraw/zinc/35/12/28/919351228.db2.gz IQJWKPOCEDIXJA-GJZGRUSLSA-N 1 2 283.375 1.620 20 30 CDEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)C(F)=C(C)C)C2)CC1 ZINC001052011567 936575567 /nfs/dbraw/zinc/57/55/67/936575567.db2.gz VIQKJHBPIOQZOU-AWEZNQCLSA-N 1 2 295.402 1.654 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(OC)cs1 ZINC001032556437 919385062 /nfs/dbraw/zinc/38/50/62/919385062.db2.gz DKQBDHSDNOMSAJ-QWRGUYRKSA-N 1 2 278.377 1.841 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(OC)cs1 ZINC001032556437 919385080 /nfs/dbraw/zinc/38/50/80/919385080.db2.gz DKQBDHSDNOMSAJ-QWRGUYRKSA-N 1 2 278.377 1.841 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)CC(F)F)[C@H](OC)C1 ZINC001212395915 919514577 /nfs/dbraw/zinc/51/45/77/919514577.db2.gz UGJCXLHKBSZSJC-GHMZBOCLSA-N 1 2 288.338 1.116 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)CC(F)F)[C@H](OC)C1 ZINC001212395915 919514591 /nfs/dbraw/zinc/51/45/91/919514591.db2.gz UGJCXLHKBSZSJC-GHMZBOCLSA-N 1 2 288.338 1.116 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001077820941 919562641 /nfs/dbraw/zinc/56/26/41/919562641.db2.gz RFTVCNGYBKGPJO-IAGOWNOFSA-N 1 2 296.370 1.054 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001077820941 919562653 /nfs/dbraw/zinc/56/26/53/919562653.db2.gz RFTVCNGYBKGPJO-IAGOWNOFSA-N 1 2 296.370 1.054 20 30 CDEDLO N#Cc1c(Cl)cccc1N1CCC[N@@H+](CC(N)=O)CC1 ZINC000827430132 936591989 /nfs/dbraw/zinc/59/19/89/936591989.db2.gz ITMLKDWGHHZJKV-UHFFFAOYSA-N 1 2 292.770 1.209 20 30 CDEDLO N#Cc1c(Cl)cccc1N1CCC[N@H+](CC(N)=O)CC1 ZINC000827430132 936591991 /nfs/dbraw/zinc/59/19/91/936591991.db2.gz ITMLKDWGHHZJKV-UHFFFAOYSA-N 1 2 292.770 1.209 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC000999902393 919799527 /nfs/dbraw/zinc/79/95/27/919799527.db2.gz ZCEBRDRDFIOKLK-LBPRGKRZSA-N 1 2 292.383 1.671 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(OC(C)C)c1 ZINC001032726000 919852106 /nfs/dbraw/zinc/85/21/06/919852106.db2.gz CXEBGXBVSXFAMN-GJZGRUSLSA-N 1 2 299.374 1.401 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(OC(C)C)c1 ZINC001032726000 919852118 /nfs/dbraw/zinc/85/21/18/919852118.db2.gz CXEBGXBVSXFAMN-GJZGRUSLSA-N 1 2 299.374 1.401 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC12CCOCC2 ZINC001032822008 920646471 /nfs/dbraw/zinc/64/64/71/920646471.db2.gz 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/nfs/dbraw/zinc/99/38/16/926993816.db2.gz LHABKIRXKJZGFD-HAQNSBGRSA-N 1 2 296.802 1.877 20 30 CDEDLO C[C@@]1(O)CC[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143164867 937127574 /nfs/dbraw/zinc/12/75/74/937127574.db2.gz PRZHTHKHPCGEQH-CYBMUJFWSA-N 1 2 252.264 1.793 20 30 CDEDLO C[C@@]1(O)CC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143164867 937127575 /nfs/dbraw/zinc/12/75/75/937127575.db2.gz PRZHTHKHPCGEQH-CYBMUJFWSA-N 1 2 252.264 1.793 20 30 CDEDLO Cc1[nH+]c[nH]c1CSCCNC(=O)CCC#N ZINC001143203496 937134887 /nfs/dbraw/zinc/13/48/87/937134887.db2.gz WWNBOPUFBPSEGO-UHFFFAOYSA-N 1 2 252.343 1.371 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(OC)o2)C1 ZINC001108299812 927353302 /nfs/dbraw/zinc/35/33/02/927353302.db2.gz UFCYSZNEOSKRNN-OAHLLOKOSA-N 1 2 294.351 1.295 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(OC)o2)C1 ZINC001108299812 927353286 /nfs/dbraw/zinc/35/32/86/927353286.db2.gz UFCYSZNEOSKRNN-OAHLLOKOSA-N 1 2 294.351 1.295 20 30 CDEDLO Cc1nc(NC[C@@H](C)CNC(=O)[C@H](C)C#N)cc[nH+]1 ZINC001103898539 937171556 /nfs/dbraw/zinc/17/15/56/937171556.db2.gz OKUKSWAESAKHOU-NXEZZACHSA-N 1 2 261.329 1.109 20 30 CDEDLO C#C[C@](C)(CC)[NH2+]Cc1csc(NC(C)=O)n1 ZINC000852098276 927711520 /nfs/dbraw/zinc/71/15/20/927711520.db2.gz IVKCNWUCZXLAJM-GFCCVEGCSA-N 1 2 251.355 1.993 20 30 CDEDLO C[N@H+](CC(F)F)C1CCN(c2cc(C#N)cnn2)CC1 ZINC000853412935 928014769 /nfs/dbraw/zinc/01/47/69/928014769.db2.gz LMMFAHIACUZIDW-UHFFFAOYSA-N 1 2 281.310 1.514 20 30 CDEDLO C[N@@H+](CC(F)F)C1CCN(c2cc(C#N)cnn2)CC1 ZINC000853412935 928014783 /nfs/dbraw/zinc/01/47/83/928014783.db2.gz LMMFAHIACUZIDW-UHFFFAOYSA-N 1 2 281.310 1.514 20 30 CDEDLO C[C@@]1(C2CC2)NC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853525649 928037650 /nfs/dbraw/zinc/03/76/50/928037650.db2.gz HUWGCCOZVXBZRY-NHYWBVRUSA-N 1 2 290.367 1.290 20 30 CDEDLO C[C@@]1(C2CC2)NC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853525649 928037666 /nfs/dbraw/zinc/03/76/66/928037666.db2.gz HUWGCCOZVXBZRY-NHYWBVRUSA-N 1 2 290.367 1.290 20 30 CDEDLO CC(C)C[C@H]1NC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853525696 928038711 /nfs/dbraw/zinc/03/87/11/928038711.db2.gz IMORSVYSPVFQPV-QWHCGFSZSA-N 1 2 292.383 1.536 20 30 CDEDLO CC(C)C[C@H]1NC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853525696 928038724 /nfs/dbraw/zinc/03/87/24/928038724.db2.gz IMORSVYSPVFQPV-QWHCGFSZSA-N 1 2 292.383 1.536 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](CN2C[C@@H](c3cccnc3)CC2=O)C1 ZINC000853525299 928038968 /nfs/dbraw/zinc/03/89/68/928038968.db2.gz UVTKHZKAKXKAAN-HOCLYGCPSA-N 1 2 298.390 1.981 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](CN2C[C@@H](c3cccnc3)CC2=O)C1 ZINC000853525299 928038981 /nfs/dbraw/zinc/03/89/81/928038981.db2.gz UVTKHZKAKXKAAN-HOCLYGCPSA-N 1 2 298.390 1.981 20 30 CDEDLO C=CC[N@H+](CN1CCC2(CCOCC2)C1=O)[C@@H](C)COC ZINC000853534797 928039062 /nfs/dbraw/zinc/03/90/62/928039062.db2.gz MLIJJYXKICKHQP-AWEZNQCLSA-N 1 2 296.411 1.496 20 30 CDEDLO C=CC[N@@H+](CN1CCC2(CCOCC2)C1=O)[C@@H](C)COC ZINC000853534797 928039076 /nfs/dbraw/zinc/03/90/76/928039076.db2.gz MLIJJYXKICKHQP-AWEZNQCLSA-N 1 2 296.411 1.496 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CC(=O)N(CC)C1 ZINC000853665953 928069460 /nfs/dbraw/zinc/06/94/60/928069460.db2.gz WFSUQWXMQXYPSJ-CYBMUJFWSA-N 1 2 287.363 1.907 20 30 CDEDLO Cc1nc(Cl)nc(NCc2cc[nH+]c(N)c2)c1C#N ZINC001156756597 928960068 /nfs/dbraw/zinc/96/00/68/928960068.db2.gz ATMBDQOHIJPYOI-UHFFFAOYSA-N 1 2 274.715 1.321 20 30 CDEDLO C#CCOCC[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000784079047 937291403 /nfs/dbraw/zinc/29/14/03/937291403.db2.gz ICBOWCINHXJXCI-SNVBAGLBSA-N 1 2 251.330 1.668 20 30 CDEDLO C#CCOCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000784596251 937304761 /nfs/dbraw/zinc/30/47/61/937304761.db2.gz ZAZHXMATFCVVLO-UHFFFAOYSA-N 1 2 269.304 1.252 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000785753855 929173367 /nfs/dbraw/zinc/17/33/67/929173367.db2.gz MLKKICCFAHSKII-OCCSQVGLSA-N 1 2 255.358 1.853 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](C)OCCCC)CC1 ZINC001112678200 929316993 /nfs/dbraw/zinc/31/69/93/929316993.db2.gz YTOKOKGKYBOEFN-HNNXBMFYSA-N 1 2 298.427 1.538 20 30 CDEDLO C=C(C)C(=O)OCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001151976753 937323567 /nfs/dbraw/zinc/32/35/67/937323567.db2.gz SCTXFFOLBBFCDL-UHFFFAOYSA-N 1 2 273.292 1.412 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H](CO)O1 ZINC000787314767 929361680 /nfs/dbraw/zinc/36/16/80/929361680.db2.gz MBYNVRMIALPPBY-DOMZBBRYSA-N 1 2 276.336 1.171 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H](CO)O1 ZINC000787314767 929361691 /nfs/dbraw/zinc/36/16/91/929361691.db2.gz MBYNVRMIALPPBY-DOMZBBRYSA-N 1 2 276.336 1.171 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2coc(C)c2)CC1 ZINC001112791368 929434551 /nfs/dbraw/zinc/43/45/51/929434551.db2.gz HQMQAKFZDWSZCS-UHFFFAOYSA-N 1 2 278.352 1.548 20 30 CDEDLO C#CCC1(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CCCCC1 ZINC000788159770 929491896 /nfs/dbraw/zinc/49/18/96/929491896.db2.gz UCQGZTCZDJFEOH-HNNXBMFYSA-N 1 2 292.423 1.797 20 30 CDEDLO N#Cc1ccc(C[NH2+]c2ccc3c(=O)[nH]cc-3[nH]2)cc1F ZINC001170089032 929586571 /nfs/dbraw/zinc/58/65/71/929586571.db2.gz CJWNDDHPZSFXRM-UHFFFAOYSA-N 1 2 282.278 1.948 20 30 CDEDLO COc1cccc(N[NH+]=Cc2cnc(N(C)C)nc2)c1 ZINC000814777484 929837731 /nfs/dbraw/zinc/83/77/31/929837731.db2.gz RZABMRYTDOIUNG-UHFFFAOYSA-N 1 2 271.324 1.997 20 30 CDEDLO CC(=[NH+]Nc1ccncc1Cl)c1ccc(N)nc1 ZINC000814870056 929865742 /nfs/dbraw/zinc/86/57/42/929865742.db2.gz MFFSITLQVLVQCF-UHFFFAOYSA-N 1 2 261.716 1.970 20 30 CDEDLO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cnn(C)n2)c1 ZINC000815126119 929941340 /nfs/dbraw/zinc/94/13/40/929941340.db2.gz HEJURUUVDMUKDU-CQSZACIVSA-N 1 2 285.351 1.786 20 30 CDEDLO Cn1ncc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)n1 ZINC000815139081 929954587 /nfs/dbraw/zinc/95/45/87/929954587.db2.gz QEAQCVIJDWVXBE-UHFFFAOYSA-N 1 2 261.716 1.630 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1oc(CC)nc1C ZINC000817066236 930431935 /nfs/dbraw/zinc/43/19/35/930431935.db2.gz VYOQIDPKCBLSKI-LBPRGKRZSA-N 1 2 275.352 1.259 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1oc(CC)nc1C ZINC000817066236 930431943 /nfs/dbraw/zinc/43/19/43/930431943.db2.gz VYOQIDPKCBLSKI-LBPRGKRZSA-N 1 2 275.352 1.259 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000884076261 930433739 /nfs/dbraw/zinc/43/37/39/930433739.db2.gz WNZDFNGJQXSHQO-WOPDTQHZSA-N 1 2 268.357 1.128 20 30 CDEDLO C#CCSCCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817162404 930444851 /nfs/dbraw/zinc/44/48/51/930444851.db2.gz SXCWSUISIWKIDE-UHFFFAOYSA-N 1 2 277.393 1.864 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@H](C(C)C)C1 ZINC000884125577 930451797 /nfs/dbraw/zinc/45/17/97/930451797.db2.gz BTHHIZIMMCZHCX-MJBXVCDLSA-N 1 2 296.411 1.764 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1Cc2ccccc2[C@@H]1C ZINC000884144007 930458364 /nfs/dbraw/zinc/45/83/64/930458364.db2.gz YCCQBGQUTVIRBA-FZMZJTMJSA-N 1 2 288.347 1.536 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1[C@H](C)CCC ZINC000884324798 930524924 /nfs/dbraw/zinc/52/49/24/930524924.db2.gz AEKPLOZOKPZYDJ-HZSPNIEDSA-N 1 2 296.411 1.860 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c1=S ZINC000884482841 930581541 /nfs/dbraw/zinc/58/15/41/930581541.db2.gz IQSACUCGJRNAEA-NWDGAFQWSA-N 1 2 295.412 1.453 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c1=S ZINC000884482841 930581550 /nfs/dbraw/zinc/58/15/50/930581550.db2.gz IQSACUCGJRNAEA-NWDGAFQWSA-N 1 2 295.412 1.453 20 30 CDEDLO C=CC[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)OC ZINC000884566797 930597090 /nfs/dbraw/zinc/59/70/90/930597090.db2.gz TYLTVXNFSODLDJ-WDEREUQCSA-N 1 2 266.297 1.495 20 30 CDEDLO C=C(Br)C[NH+]1CCC([C@H](O)C(=O)OC)CC1 ZINC000135349623 930622293 /nfs/dbraw/zinc/62/22/93/930622293.db2.gz HYHDQSOIQHGQBA-JTQLQIEISA-N 1 2 292.173 1.141 20 30 CDEDLO Cc1[nH]ncc1C[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000818950000 930741065 /nfs/dbraw/zinc/74/10/65/930741065.db2.gz RNGAMAJOAYKMIU-AWEZNQCLSA-N 1 2 256.309 1.413 20 30 CDEDLO C#C[C@H](C)NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000820430062 930914376 /nfs/dbraw/zinc/91/43/76/930914376.db2.gz ZBOBBZXBUHDTFI-RWMBFGLXSA-N 1 2 260.341 1.497 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NCC(C)(C)C(N)=O ZINC000820628778 930941458 /nfs/dbraw/zinc/94/14/58/930941458.db2.gz AYOFYYSGSODJNU-UHFFFAOYSA-N 1 2 275.352 1.797 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000820666681 930948928 /nfs/dbraw/zinc/94/89/28/930948928.db2.gz LZWRZYCRZMSJCH-ZDUSSCGKSA-N 1 2 281.400 1.198 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2cc(C(C)=O)no2)CC1 ZINC000886778444 930957318 /nfs/dbraw/zinc/95/73/18/930957318.db2.gz AEIPBKUCQRIACJ-UHFFFAOYSA-N 1 2 264.325 1.780 20 30 CDEDLO COC(=O)c1ccc(C(N)=[NH+]c2[nH]ccc3nnnc2-3)cc1 ZINC001170978437 931128399 /nfs/dbraw/zinc/12/83/99/931128399.db2.gz AJVILXJHCBKAQB-UHFFFAOYSA-N 1 2 296.290 1.177 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000805840104 931357846 /nfs/dbraw/zinc/35/78/46/931357846.db2.gz XIUMBEKMXLXVRA-ZDUSSCGKSA-N 1 2 262.378 1.880 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000805840104 931357850 /nfs/dbraw/zinc/35/78/50/931357850.db2.gz XIUMBEKMXLXVRA-ZDUSSCGKSA-N 1 2 262.378 1.880 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171037325 931374882 /nfs/dbraw/zinc/37/48/82/931374882.db2.gz KMVAXRFYXHTJAT-CHWSQXEVSA-N 1 2 275.783 1.995 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)Cc1ccccc1CC#N ZINC000777405401 931465965 /nfs/dbraw/zinc/46/59/65/931465965.db2.gz LNMMHNJFMPRFLW-UHFFFAOYSA-N 1 2 268.320 1.643 20 30 CDEDLO CN1CC[C@]2(CCC[N@H+]2Cc2cc(C#N)ccc2O)C1=O ZINC001274667900 931538510 /nfs/dbraw/zinc/53/85/10/931538510.db2.gz SDDKXGQVKYCMCE-MRXNPFEDSA-N 1 2 285.347 1.461 20 30 CDEDLO CNC(=O)[C@@H]1CC12CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001274855632 931594241 /nfs/dbraw/zinc/59/42/41/931594241.db2.gz PFMWWPXOSHXLLD-LBPRGKRZSA-N 1 2 272.352 1.234 20 30 CDEDLO CNC(=O)[C@H]1CC12CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001274855630 931594432 /nfs/dbraw/zinc/59/44/32/931594432.db2.gz PFMWWPXOSHXLLD-GFCCVEGCSA-N 1 2 272.352 1.234 20 30 CDEDLO C=C[C@H](C)O[NH+]=Cc1cnc(N2CCOCC2)s1 ZINC000844621953 931662613 /nfs/dbraw/zinc/66/26/13/931662613.db2.gz QHXFVNYJYYWTMV-JTQLQIEISA-N 1 2 267.354 1.905 20 30 CDEDLO C[C@H](C#N)OCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845285769 931794810 /nfs/dbraw/zinc/79/48/10/931794810.db2.gz SONAOPRKFOYKOQ-WDEREUQCSA-N 1 2 251.286 1.306 20 30 CDEDLO C#CC[NH+]1CCN(c2ncc(Cl)c(OCC)n2)CC1 ZINC000845460551 931822416 /nfs/dbraw/zinc/82/24/16/931822416.db2.gz FIDDVRHWZBEJSY-UHFFFAOYSA-N 1 2 280.759 1.284 20 30 CDEDLO C=C[C@H](C)ONC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000845626064 931862554 /nfs/dbraw/zinc/86/25/54/931862554.db2.gz QOYZBIMWSNOIGT-VHSXEESVSA-N 1 2 250.302 1.003 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(NCCn3ccnn3)c2c1 ZINC001154621597 937568115 /nfs/dbraw/zinc/56/81/15/937568115.db2.gz QUPUJPYGBQCNRY-UHFFFAOYSA-N 1 2 264.292 1.810 20 30 CDEDLO Cn1cc(CN2CC3(C2)C[NH+](Cc2ccoc2)C3)cc1C#N ZINC001275943081 932158488 /nfs/dbraw/zinc/15/84/88/932158488.db2.gz AALGWAVFUPUCPJ-UHFFFAOYSA-N 1 2 296.374 1.808 20 30 CDEDLO Cn1cc(C[NH+]2CC3(CN(Cc4ccoc4)C3)C2)cc1C#N ZINC001275943081 932158493 /nfs/dbraw/zinc/15/84/93/932158493.db2.gz AALGWAVFUPUCPJ-UHFFFAOYSA-N 1 2 296.374 1.808 20 30 CDEDLO Cn1cc(C[NH+]2CC3(CN(Cc4ccon4)C3)C2)cc1C#N ZINC001276071339 932490801 /nfs/dbraw/zinc/49/08/01/932490801.db2.gz TXSYZEMHNFFZCE-UHFFFAOYSA-N 1 2 297.362 1.203 20 30 CDEDLO Cc1ccc(CC#N)c(NCCN2CCCCO2)[nH+]1 ZINC001155003711 937620561 /nfs/dbraw/zinc/62/05/61/937620561.db2.gz YBPIEUSXDGLCIR-UHFFFAOYSA-N 1 2 260.341 1.895 20 30 CDEDLO C=CCN1C(=O)COCC12C[NH+](C[C@@H](C)C(F)(F)F)C2 ZINC001273445638 932826995 /nfs/dbraw/zinc/82/69/95/932826995.db2.gz JZTWTSBCRMPBSV-SNVBAGLBSA-N 1 2 292.301 1.284 20 30 CDEDLO C#CCCCC(=O)NCC1CC(Nc2cc[nH+]c(C)n2)C1 ZINC001092212366 932926497 /nfs/dbraw/zinc/92/64/97/932926497.db2.gz NYBMHCANPPQSPD-UHFFFAOYSA-N 1 2 286.379 1.895 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc[nH]1)c1nccn12 ZINC001092347606 932936235 /nfs/dbraw/zinc/93/62/35/932936235.db2.gz ANXSFLMUDJHKRM-ZDUSSCGKSA-N 1 2 297.362 1.283 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nc2c(s1)CCC2 ZINC000927651218 933078555 /nfs/dbraw/zinc/07/85/55/933078555.db2.gz LRQATFOAZBXPTF-LBPRGKRZSA-N 1 2 289.404 1.346 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nc2c(s1)CCC2 ZINC000927651218 933078560 /nfs/dbraw/zinc/07/85/60/933078560.db2.gz LRQATFOAZBXPTF-LBPRGKRZSA-N 1 2 289.404 1.346 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C#N)cc1 ZINC000928637007 933168185 /nfs/dbraw/zinc/16/81/85/933168185.db2.gz YQXIYDVXGPXYAJ-HNNXBMFYSA-N 1 2 287.363 1.399 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)C#Cc1cccs1 ZINC000928644853 933169182 /nfs/dbraw/zinc/16/91/82/933169182.db2.gz ACGOWROXSSXLPS-ZDUSSCGKSA-N 1 2 292.404 1.327 20 30 CDEDLO C=CCN(Cc1cc(C)cc(C)[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC000929974739 933290539 /nfs/dbraw/zinc/29/05/39/933290539.db2.gz ADQYVTRKRRMPPI-HNNXBMFYSA-N 1 2 294.420 1.874 20 30 CDEDLO C=C(Cl)C[NH2+]CCCNC(=O)c1[nH]nc(C)c1C ZINC001155970068 937692457 /nfs/dbraw/zinc/69/24/57/937692457.db2.gz AHRHCYUHRRMBKS-UHFFFAOYSA-N 1 2 270.764 1.489 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2nc(C3CC3)oc2C)CC1 ZINC000795918725 934947750 /nfs/dbraw/zinc/94/77/50/934947750.db2.gz RMIAHPZVOMIDFQ-UHFFFAOYSA-N 1 2 287.363 1.642 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ncc(Cl)s2)C1 ZINC001007925372 935393963 /nfs/dbraw/zinc/39/39/63/935393963.db2.gz LWGYOKSXCUKLCJ-SECBINFHSA-N 1 2 283.784 1.624 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ncc(Cl)s2)C1 ZINC001007925372 935393967 /nfs/dbraw/zinc/39/39/67/935393967.db2.gz LWGYOKSXCUKLCJ-SECBINFHSA-N 1 2 283.784 1.624 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccn2C)C1 ZINC001010245571 935449586 /nfs/dbraw/zinc/44/95/86/935449586.db2.gz WBXYLEUQZVZCSP-NSHDSACASA-N 1 2 267.760 1.582 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccn2C)C1 ZINC001010245571 935449588 /nfs/dbraw/zinc/44/95/88/935449588.db2.gz WBXYLEUQZVZCSP-NSHDSACASA-N 1 2 267.760 1.582 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cc(C(F)(F)F)no2)C1 ZINC001014819930 935552335 /nfs/dbraw/zinc/55/23/35/935552335.db2.gz IKNVVIXPKGQXDT-QMMMGPOBSA-N 1 2 287.241 1.131 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(C(F)(F)F)no2)C1 ZINC001014819930 935552341 /nfs/dbraw/zinc/55/23/41/935552341.db2.gz IKNVVIXPKGQXDT-QMMMGPOBSA-N 1 2 287.241 1.131 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)nc[nH]c2=O)C1 ZINC001015594817 935574655 /nfs/dbraw/zinc/57/46/55/935574655.db2.gz CMKVOWKURKYLLK-SNVBAGLBSA-N 1 2 296.758 1.047 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001015732021 935582573 /nfs/dbraw/zinc/58/25/73/935582573.db2.gz USQUWZUTCPVCSC-LOWDOPEQSA-N 1 2 284.787 1.497 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001015732021 935582577 /nfs/dbraw/zinc/58/25/77/935582577.db2.gz USQUWZUTCPVCSC-LOWDOPEQSA-N 1 2 284.787 1.497 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)C1CC1 ZINC001017516450 935642154 /nfs/dbraw/zinc/64/21/54/935642154.db2.gz SQICVELHULIJTO-QLFBSQMISA-N 1 2 276.380 1.110 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)C1CC1 ZINC001017516450 935642157 /nfs/dbraw/zinc/64/21/57/935642157.db2.gz SQICVELHULIJTO-QLFBSQMISA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(COC)c1 ZINC001017714754 935647469 /nfs/dbraw/zinc/64/74/69/935647469.db2.gz REXOXSCGWUHDJR-CALCHBBNSA-N 1 2 298.386 1.755 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(COC)c1 ZINC001017714754 935647471 /nfs/dbraw/zinc/64/74/71/935647471.db2.gz REXOXSCGWUHDJR-CALCHBBNSA-N 1 2 298.386 1.755 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001017762968 935648490 /nfs/dbraw/zinc/64/84/90/935648490.db2.gz CZOJAMNKMWZYLV-YUXNHXRJSA-N 1 2 272.392 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001017762968 935648492 /nfs/dbraw/zinc/64/84/92/935648492.db2.gz CZOJAMNKMWZYLV-YUXNHXRJSA-N 1 2 272.392 1.731 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[C@@H](C)O1 ZINC001017881500 935653136 /nfs/dbraw/zinc/65/31/36/935653136.db2.gz AFQHTVJOPARHDE-APIJFGDWSA-N 1 2 276.380 1.252 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[C@@H](C)O1 ZINC001017881500 935653137 /nfs/dbraw/zinc/65/31/37/935653137.db2.gz AFQHTVJOPARHDE-APIJFGDWSA-N 1 2 276.380 1.252 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C)c1C ZINC001017917890 935655045 /nfs/dbraw/zinc/65/50/45/935655045.db2.gz WKYFJYGLDOPUJD-OKILXGFUSA-N 1 2 271.364 1.256 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C)c1C ZINC001017917890 935655048 /nfs/dbraw/zinc/65/50/48/935655048.db2.gz WKYFJYGLDOPUJD-OKILXGFUSA-N 1 2 271.364 1.256 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OC)c1C ZINC001017995361 935657418 /nfs/dbraw/zinc/65/74/18/935657418.db2.gz IGOXILZPUFTBCB-GASCZTMLSA-N 1 2 298.386 1.926 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OC)c1C ZINC001017995361 935657420 /nfs/dbraw/zinc/65/74/20/935657420.db2.gz IGOXILZPUFTBCB-GASCZTMLSA-N 1 2 298.386 1.926 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(F)cc1 ZINC001018229901 935663087 /nfs/dbraw/zinc/66/30/87/935663087.db2.gz OCJWHJZLULNJBE-IYBDPMFKSA-N 1 2 286.350 1.677 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(F)cc1 ZINC001018229901 935663089 /nfs/dbraw/zinc/66/30/89/935663089.db2.gz OCJWHJZLULNJBE-IYBDPMFKSA-N 1 2 286.350 1.677 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CC[C@H](C)O1 ZINC001018292657 935664439 /nfs/dbraw/zinc/66/44/39/935664439.db2.gz PFEKPWJVXGQXMV-JONQDZQNSA-N 1 2 290.407 1.643 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CC[C@H](C)O1 ZINC001018292657 935664441 /nfs/dbraw/zinc/66/44/41/935664441.db2.gz PFEKPWJVXGQXMV-JONQDZQNSA-N 1 2 290.407 1.643 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(N(C)C)ccn1 ZINC001018331747 935665235 /nfs/dbraw/zinc/66/52/35/935665235.db2.gz YQFOFGRSBOWWKT-GASCZTMLSA-N 1 2 298.390 1.070 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(N(C)C)ccn1 ZINC001018331747 935665237 /nfs/dbraw/zinc/66/52/37/935665237.db2.gz YQFOFGRSBOWWKT-GASCZTMLSA-N 1 2 298.390 1.070 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1ncccc1O ZINC001038183167 935736034 /nfs/dbraw/zinc/73/60/34/935736034.db2.gz HAHZQJWGLBGVKY-LLVKDONJSA-N 1 2 261.325 1.167 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1ncccc1O ZINC001038183167 935736035 /nfs/dbraw/zinc/73/60/35/935736035.db2.gz HAHZQJWGLBGVKY-LLVKDONJSA-N 1 2 261.325 1.167 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn(C(C)(C)C)n1 ZINC001038313348 935740942 /nfs/dbraw/zinc/74/09/42/935740942.db2.gz CVDFKUHPJVKFQR-ZDUSSCGKSA-N 1 2 288.395 1.466 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccn(C(C)(C)C)n1 ZINC001038313348 935740944 /nfs/dbraw/zinc/74/09/44/935740944.db2.gz CVDFKUHPJVKFQR-ZDUSSCGKSA-N 1 2 288.395 1.466 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1sc2nccn2c1C ZINC001038364015 935741823 /nfs/dbraw/zinc/74/18/23/935741823.db2.gz YBFAVLLAQQYRBG-LLVKDONJSA-N 1 2 290.392 1.694 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1sc2nccn2c1C ZINC001038364015 935741824 /nfs/dbraw/zinc/74/18/24/935741824.db2.gz YBFAVLLAQQYRBG-LLVKDONJSA-N 1 2 290.392 1.694 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2c1COCC2 ZINC001038342396 935742163 /nfs/dbraw/zinc/74/21/63/935742163.db2.gz YIOQCOYJICDUTA-CQSZACIVSA-N 1 2 284.359 1.197 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2c1COCC2 ZINC001038342396 935742165 /nfs/dbraw/zinc/74/21/65/935742165.db2.gz YIOQCOYJICDUTA-CQSZACIVSA-N 1 2 284.359 1.197 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001038539807 935748006 /nfs/dbraw/zinc/74/80/06/935748006.db2.gz DQYOYMGGIUWFCV-APIJFGDWSA-N 1 2 260.381 1.636 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001038539807 935748009 /nfs/dbraw/zinc/74/80/09/935748009.db2.gz DQYOYMGGIUWFCV-APIJFGDWSA-N 1 2 260.381 1.636 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1OCCc2ccccc21 ZINC001038583989 935750509 /nfs/dbraw/zinc/75/05/09/935750509.db2.gz BBLYGSGDDNRGGA-RDJZCZTQSA-N 1 2 298.386 1.514 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1OCCc2ccccc21 ZINC001038583989 935750512 /nfs/dbraw/zinc/75/05/12/935750512.db2.gz BBLYGSGDDNRGGA-RDJZCZTQSA-N 1 2 298.386 1.514 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)nc1OCC ZINC001038865758 935760077 /nfs/dbraw/zinc/76/00/77/935760077.db2.gz XYJBMOFJCGOEKV-ZDUSSCGKSA-N 1 2 287.363 1.226 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)nc1OCC ZINC001038865758 935760081 /nfs/dbraw/zinc/76/00/81/935760081.db2.gz XYJBMOFJCGOEKV-ZDUSSCGKSA-N 1 2 287.363 1.226 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1nc(C)c(C)s1 ZINC001039026169 935766408 /nfs/dbraw/zinc/76/64/08/935766408.db2.gz QUNMFEVNFQTJGF-NSHDSACASA-N 1 2 265.382 1.750 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1nc(C)c(C)s1 ZINC001039026169 935766409 /nfs/dbraw/zinc/76/64/09/935766409.db2.gz QUNMFEVNFQTJGF-NSHDSACASA-N 1 2 265.382 1.750 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(OCC2CC2)nc1 ZINC001039042849 935767227 /nfs/dbraw/zinc/76/72/27/935767227.db2.gz YBAYFRNFSXFFQP-HNNXBMFYSA-N 1 2 299.374 1.308 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OCC2CC2)nc1 ZINC001039042849 935767229 /nfs/dbraw/zinc/76/72/29/935767229.db2.gz YBAYFRNFSXFFQP-HNNXBMFYSA-N 1 2 299.374 1.308 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2onc(CC)c2c1 ZINC001039054939 935767707 /nfs/dbraw/zinc/76/77/07/935767707.db2.gz OPXCXOVTGACKHJ-GFCCVEGCSA-N 1 2 298.346 1.223 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2onc(CC)c2c1 ZINC001039054939 935767710 /nfs/dbraw/zinc/76/77/10/935767710.db2.gz OPXCXOVTGACKHJ-GFCCVEGCSA-N 1 2 298.346 1.223 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccc3ncn(C)c32)C1 ZINC001043133290 935834312 /nfs/dbraw/zinc/83/43/12/935834312.db2.gz QUBGUBQIQHQHQW-UHFFFAOYSA-N 1 2 298.390 1.906 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc3ccncc3n2)C1 ZINC001043367472 935837823 /nfs/dbraw/zinc/83/78/23/935837823.db2.gz SBGJZJMRDMVFCS-UHFFFAOYSA-N 1 2 296.374 1.962 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCc3cccnc32)C1 ZINC001043668259 935841976 /nfs/dbraw/zinc/84/19/76/935841976.db2.gz WIZRCSKHZWEYDL-AWEZNQCLSA-N 1 2 271.364 1.440 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2occc2CC)C1 ZINC001043764420 935843589 /nfs/dbraw/zinc/84/35/89/935843589.db2.gz HPJZNYOTDCWJPG-UHFFFAOYSA-N 1 2 260.337 1.622 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnoc2CC)C1 ZINC001043993067 935848186 /nfs/dbraw/zinc/84/81/86/935848186.db2.gz AKLYGMNEMGSNAB-UHFFFAOYSA-N 1 2 261.325 1.017 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H](C)c2c(C)n[nH]c2C)C1 ZINC001044060975 935850061 /nfs/dbraw/zinc/85/00/61/935850061.db2.gz JULGVNUCVQJFNL-LLVKDONJSA-N 1 2 288.395 1.296 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2csc(C)c2)C1 ZINC001044051416 935850067 /nfs/dbraw/zinc/85/00/67/935850067.db2.gz NJADHZPVJOAPGY-UHFFFAOYSA-N 1 2 262.378 1.836 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2oc(CCC)nc2C)C1 ZINC001044185840 935853694 /nfs/dbraw/zinc/85/36/94/935853694.db2.gz FMWFSDYWLLGTOU-UHFFFAOYSA-N 1 2 289.379 1.715 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2[nH]cnc2CC)C1 ZINC001044238391 935855536 /nfs/dbraw/zinc/85/55/36/935855536.db2.gz KJFFWBSYIYZLQN-UHFFFAOYSA-N 1 2 262.357 1.304 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2c3ccccc3NC2=O)C1 ZINC001044364850 935858952 /nfs/dbraw/zinc/85/89/52/935858952.db2.gz RVYKHZBOUVLONP-CQSZACIVSA-N 1 2 299.374 1.441 20 30 CDEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]ncc1F)C2 ZINC001095977491 935860922 /nfs/dbraw/zinc/86/09/22/935860922.db2.gz FZZAFMRQCIWUEU-MIMYLULJSA-N 1 2 264.304 1.070 20 30 CDEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]ncc1F)C2 ZINC001095977491 935860924 /nfs/dbraw/zinc/86/09/24/935860924.db2.gz FZZAFMRQCIWUEU-MIMYLULJSA-N 1 2 264.304 1.070 20 30 CDEDLO C[C@@H](C#N)OCC[NH+]1CCN(c2ncccc2F)CC1 ZINC000801936840 936017458 /nfs/dbraw/zinc/01/74/58/936017458.db2.gz ZQQVUJMUJNCEAC-LBPRGKRZSA-N 1 2 278.331 1.271 20 30 CDEDLO C[C@H](c1nccs1)N1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801941602 936017544 /nfs/dbraw/zinc/01/75/44/936017544.db2.gz RLQCFTJQSHRWAE-QWHCGFSZSA-N 1 2 294.424 1.750 20 30 CDEDLO Cc1cc(N2CC[C@H](NC(=O)[C@@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001096338417 936045203 /nfs/dbraw/zinc/04/52/03/936045203.db2.gz KNKSJXZVXKZVKW-GWCFXTLKSA-N 1 2 299.378 1.517 20 30 CDEDLO C#CCCCC(=O)NC[C@@H](Nc1cc[nH+]c(C)n1)C1CC1 ZINC001096660395 936205991 /nfs/dbraw/zinc/20/59/91/936205991.db2.gz WFCDFUAFNDLQLS-CQSZACIVSA-N 1 2 286.379 1.895 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001096947099 936245205 /nfs/dbraw/zinc/24/52/05/936245205.db2.gz YEUJLHOMUVQWKS-AAEUAGOBSA-N 1 2 290.367 1.389 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097042806 936261432 /nfs/dbraw/zinc/26/14/32/936261432.db2.gz XKUHSECWMPBQJG-DRZSPHRISA-N 1 2 290.367 1.435 20 30 CDEDLO Cc1nc(N[C@H]2C[C@@H](NC(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001097165193 936280201 /nfs/dbraw/zinc/28/02/01/936280201.db2.gz WMKUCLFPXWVRNR-INTQDDNPSA-N 1 2 259.313 1.004 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CCC)n2CC(=C)C)CC1 ZINC001122456247 937933156 /nfs/dbraw/zinc/93/31/56/937933156.db2.gz HBQPXPUBEJPDCH-UHFFFAOYSA-N 1 2 287.411 1.562 20 30 CDEDLO N#C[C@@H]1C[C@H](F)CN1c1cc(-n2cc[nH+]c2)ccn1 ZINC001157481519 938500226 /nfs/dbraw/zinc/50/02/26/938500226.db2.gz YSLZGTZNFXGOKI-JQWIXIFHSA-N 1 2 257.272 1.708 20 30 CDEDLO C[C@@H](C#N)C(=O)NCCC1=CC[N@H+](Cc2ncccn2)CC1 ZINC001159587153 938740266 /nfs/dbraw/zinc/74/02/66/938740266.db2.gz JNSWDAOFZVAZKV-ZDUSSCGKSA-N 1 2 299.378 1.275 20 30 CDEDLO C[C@@H](C#N)C(=O)NCCC1=CC[N@@H+](Cc2ncccn2)CC1 ZINC001159587153 938740268 /nfs/dbraw/zinc/74/02/68/938740268.db2.gz JNSWDAOFZVAZKV-ZDUSSCGKSA-N 1 2 299.378 1.275 20 30 CDEDLO C#CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(=O)OC ZINC001161365828 938896416 /nfs/dbraw/zinc/89/64/16/938896416.db2.gz YDDHSZDZRXINRT-AWEZNQCLSA-N 1 2 297.314 1.167 20 30 CDEDLO N#CCc1nc(Cl)cc(NCCCn2cc[nH+]c2)n1 ZINC001161682311 938919924 /nfs/dbraw/zinc/91/99/24/938919924.db2.gz NSFLPTNRRMWDEI-UHFFFAOYSA-N 1 2 276.731 1.895 20 30 CDEDLO N#Cc1cc(Cl)cnc1N1CC[NH2+]CC(F)(F)C1 ZINC001164498692 939479551 /nfs/dbraw/zinc/47/95/51/939479551.db2.gz YAZMUEYUCKEEAK-UHFFFAOYSA-N 1 2 272.686 1.652 20 30 CDEDLO N#CCc1cnc(N2CC[NH2+]CC(F)(F)C2)c(Cl)c1 ZINC001164502371 939480020 /nfs/dbraw/zinc/48/00/20/939480020.db2.gz QSWRKWOGVLRRJN-UHFFFAOYSA-N 1 2 286.713 1.846 20 30 CDEDLO Cc1ccc(CC#N)c(N2C[C@H]3CC[C@@H](C2)C3=O)[nH+]1 ZINC001166947531 939656642 /nfs/dbraw/zinc/65/66/42/939656642.db2.gz UYNYODMJBSOPMB-BETUJISGSA-N 1 2 255.321 1.871 20 30 CDEDLO Cc1nc(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)co1 ZINC001206073811 939974905 /nfs/dbraw/zinc/97/49/05/939974905.db2.gz DXYWHJZURSKRRS-UHFFFAOYSA-N 1 2 297.362 1.962 20 30 CDEDLO Cc1nc(C[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)co1 ZINC001206073811 939974908 /nfs/dbraw/zinc/97/49/08/939974908.db2.gz DXYWHJZURSKRRS-UHFFFAOYSA-N 1 2 297.362 1.962 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)OC)C1 ZINC001206297043 940013596 /nfs/dbraw/zinc/01/35/96/940013596.db2.gz VZEXHAGXMSFFRH-FBIMIBRVSA-N 1 2 260.765 1.210 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)OC)C1 ZINC001206297043 940013598 /nfs/dbraw/zinc/01/35/98/940013598.db2.gz VZEXHAGXMSFFRH-FBIMIBRVSA-N 1 2 260.765 1.210 20 30 CDEDLO C=CCC[C@H](C)[NH+]1CC2(C1)[C@@H](CF)CCS2(=O)=O ZINC001258732532 945397054 /nfs/dbraw/zinc/39/70/54/945397054.db2.gz MXHXEWXWULHKQQ-NWDGAFQWSA-N 1 2 275.389 1.800 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc3c(c(OC)c2)OCO3)CC1 ZINC001209716624 940628749 /nfs/dbraw/zinc/62/87/49/940628749.db2.gz NTKKDJQHGVWNOM-UHFFFAOYSA-N 1 2 288.347 1.175 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@](C)(C=C)CC)[C@H](OC)C1 ZINC001213390004 940771427 /nfs/dbraw/zinc/77/14/27/940771427.db2.gz NWYAZXAHWURMBX-NFAWXSAZSA-N 1 2 264.369 1.037 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@](C)(C=C)CC)[C@H](OC)C1 ZINC001213390004 940771430 /nfs/dbraw/zinc/77/14/30/940771430.db2.gz NWYAZXAHWURMBX-NFAWXSAZSA-N 1 2 264.369 1.037 20 30 CDEDLO CCCCCCCCNC(=O)N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001239222291 945351445 /nfs/dbraw/zinc/35/14/45/945351445.db2.gz DHYWBABSOIRRHH-OLZOCXBDSA-N 1 2 299.415 1.550 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)CCC)[C@H]2C1 ZINC001217493376 940995540 /nfs/dbraw/zinc/99/55/40/940995540.db2.gz KDRYXYNPYGUWBA-QLFBSQMISA-N 1 2 278.396 1.358 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)CCC)[C@H]2C1 ZINC001217493376 940995545 /nfs/dbraw/zinc/99/55/45/940995545.db2.gz KDRYXYNPYGUWBA-QLFBSQMISA-N 1 2 278.396 1.358 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC(C)(C)C=C)[C@H]2C1 ZINC001217998147 941034054 /nfs/dbraw/zinc/03/40/54/941034054.db2.gz SPFHKZCDPPPRIR-UONOGXRCSA-N 1 2 276.380 1.134 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC(C)(C)C=C)[C@H]2C1 ZINC001217998147 941034060 /nfs/dbraw/zinc/03/40/60/941034060.db2.gz SPFHKZCDPPPRIR-UONOGXRCSA-N 1 2 276.380 1.134 20 30 CDEDLO C=CCCC(=O)NCC1CC[NH+](Cc2ncnn2C)CC1 ZINC001222579803 941616693 /nfs/dbraw/zinc/61/66/93/941616693.db2.gz YJTJHUGSLGRAJA-UHFFFAOYSA-N 1 2 291.399 1.110 20 30 CDEDLO C=CCCC(=O)NCC1CC[NH+](Cc2nnc(C)o2)CC1 ZINC001222578783 941616765 /nfs/dbraw/zinc/61/67/65/941616765.db2.gz GDVSPYBALYBVEK-UHFFFAOYSA-N 1 2 292.383 1.672 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncn(-c4ccccc4)n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226195245 941965435 /nfs/dbraw/zinc/96/54/35/941965435.db2.gz CRJCNXOZCOOIFK-ABWMFPBJSA-N 1 2 298.346 1.259 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncn(-c4ccccc4)n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226195245 941965437 /nfs/dbraw/zinc/96/54/37/941965437.db2.gz CRJCNXOZCOOIFK-ABWMFPBJSA-N 1 2 298.346 1.259 20 30 CDEDLO C=CC(C)(C)C(=O)NC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001228631860 942343681 /nfs/dbraw/zinc/34/36/81/942343681.db2.gz XCDJCCNSBUONJF-UHFFFAOYSA-N 1 2 291.399 1.108 20 30 CDEDLO COCCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230485935 942622991 /nfs/dbraw/zinc/62/29/91/942622991.db2.gz OEGQMMYHYVZIQZ-AWEZNQCLSA-N 1 2 279.384 1.249 20 30 CDEDLO COCCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001230485935 942622995 /nfs/dbraw/zinc/62/29/95/942622995.db2.gz OEGQMMYHYVZIQZ-AWEZNQCLSA-N 1 2 279.384 1.249 20 30 CDEDLO CSCCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230508533 942627962 /nfs/dbraw/zinc/62/79/62/942627962.db2.gz PEPHDCNACMHPLC-AWEZNQCLSA-N 1 2 295.452 1.966 20 30 CDEDLO CSCCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001230508533 942627965 /nfs/dbraw/zinc/62/79/65/942627965.db2.gz PEPHDCNACMHPLC-AWEZNQCLSA-N 1 2 295.452 1.966 20 30 CDEDLO CO[C@@H](C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230538227 942634425 /nfs/dbraw/zinc/63/44/25/942634425.db2.gz QWBBMJKLKOCRCJ-ZFWWWQNUSA-N 1 2 293.411 1.638 20 30 CDEDLO CO[C@@H](C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001230538227 942634427 /nfs/dbraw/zinc/63/44/27/942634427.db2.gz QWBBMJKLKOCRCJ-ZFWWWQNUSA-N 1 2 293.411 1.638 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3=O)c1 ZINC001231624955 942946973 /nfs/dbraw/zinc/94/69/73/942946973.db2.gz NTLDYPZJPCVETH-GASCZTMLSA-N 1 2 287.359 1.899 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2C[C@@H]3COC[C@H](C2)C3=O)c1 ZINC001231624955 942946979 /nfs/dbraw/zinc/94/69/79/942946979.db2.gz NTLDYPZJPCVETH-GASCZTMLSA-N 1 2 287.359 1.899 20 30 CDEDLO N#Cc1cc[nH]c1C[N@H+]1CCC[C@@]2(CCCC(=O)N2)C1 ZINC001233044396 943473324 /nfs/dbraw/zinc/47/33/24/943473324.db2.gz JZLDSGZCYQBRAB-HNNXBMFYSA-N 1 2 272.352 1.521 20 30 CDEDLO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@@]2(CCCC(=O)N2)C1 ZINC001233044396 943473329 /nfs/dbraw/zinc/47/33/29/943473329.db2.gz JZLDSGZCYQBRAB-HNNXBMFYSA-N 1 2 272.352 1.521 20 30 CDEDLO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC001233047325 943474517 /nfs/dbraw/zinc/47/45/17/943474517.db2.gz WKONBMIYJQGCBP-LBPRGKRZSA-N 1 2 256.313 1.315 20 30 CDEDLO N#Cc1cc[nH]c1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001233047325 943474522 /nfs/dbraw/zinc/47/45/22/943474522.db2.gz WKONBMIYJQGCBP-LBPRGKRZSA-N 1 2 256.313 1.315 20 30 CDEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001233047601 943475059 /nfs/dbraw/zinc/47/50/59/943475059.db2.gz DQECNMDMVVMVDW-AWEZNQCLSA-N 1 2 268.320 1.935 20 30 CDEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001233047601 943475061 /nfs/dbraw/zinc/47/50/61/943475061.db2.gz DQECNMDMVVMVDW-AWEZNQCLSA-N 1 2 268.320 1.935 20 30 CDEDLO Cc1cc(C#N)ccc1C[NH+]1CC2(C1)CS(=O)C2 ZINC001233080315 943487334 /nfs/dbraw/zinc/48/73/34/943487334.db2.gz HXUIVYPDZRRRTF-UHFFFAOYSA-N 1 2 260.362 1.431 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C1CC1 ZINC001233529378 943609154 /nfs/dbraw/zinc/60/91/54/943609154.db2.gz KVWDZAWNLIYHEO-HIFRSBDPSA-N 1 2 278.396 1.215 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C1CC1 ZINC001233529378 943609159 /nfs/dbraw/zinc/60/91/59/943609159.db2.gz KVWDZAWNLIYHEO-HIFRSBDPSA-N 1 2 278.396 1.215 20 30 CDEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001233760727 943651951 /nfs/dbraw/zinc/65/19/51/943651951.db2.gz DGTCGILHQCDAQI-ZDUSSCGKSA-N 1 2 254.349 1.682 20 30 CDEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001233760727 943651953 /nfs/dbraw/zinc/65/19/53/943651953.db2.gz DGTCGILHQCDAQI-ZDUSSCGKSA-N 1 2 254.349 1.682 20 30 CDEDLO C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC[N@@H+]2C)n1C ZINC001262858303 943703786 /nfs/dbraw/zinc/70/37/86/943703786.db2.gz YSLWSQAUUZRTTI-WDEREUQCSA-N 1 2 262.361 1.320 20 30 CDEDLO C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC[N@H+]2C)n1C ZINC001262858303 943703789 /nfs/dbraw/zinc/70/37/89/943703789.db2.gz YSLWSQAUUZRTTI-WDEREUQCSA-N 1 2 262.361 1.320 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NCC ZINC001234536795 943882819 /nfs/dbraw/zinc/88/28/19/943882819.db2.gz HFOWDNPQLVHCJA-ZDUSSCGKSA-N 1 2 295.427 1.258 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NCC ZINC001234536795 943882828 /nfs/dbraw/zinc/88/28/28/943882828.db2.gz HFOWDNPQLVHCJA-ZDUSSCGKSA-N 1 2 295.427 1.258 20 30 CDEDLO C=CCOCC(=O)NCCC[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC001235698977 944253497 /nfs/dbraw/zinc/25/34/97/944253497.db2.gz QYRYXGMNVDVOFX-NSHDSACASA-N 1 2 296.371 1.080 20 30 CDEDLO C=CCOCC(=O)NCCC[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC001235698977 944253505 /nfs/dbraw/zinc/25/35/05/944253505.db2.gz QYRYXGMNVDVOFX-NSHDSACASA-N 1 2 296.371 1.080 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)C3CC3)C2)ccn1 ZINC001237463780 944795740 /nfs/dbraw/zinc/79/57/40/944795740.db2.gz QDKBKGXQFMMAMU-CQSZACIVSA-N 1 2 284.363 1.444 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)C3CC3)C2)ccn1 ZINC001237463780 944795750 /nfs/dbraw/zinc/79/57/50/944795750.db2.gz QDKBKGXQFMMAMU-CQSZACIVSA-N 1 2 284.363 1.444 20 30 CDEDLO N#Cc1ccnc(-c2cccc(C[NH+]3CCOCC3)c2)n1 ZINC001241814363 946481988 /nfs/dbraw/zinc/48/19/88/946481988.db2.gz GOBQTRJEDXCNEL-UHFFFAOYSA-N 1 2 280.331 1.847 20 30 CDEDLO COC(=O)c1cc(C#N)cnc1-c1c[nH+]c(N)cc1C ZINC001242078329 946593617 /nfs/dbraw/zinc/59/36/17/946593617.db2.gz YMMJFPMBSCPZGW-UHFFFAOYSA-N 1 2 268.276 1.693 20 30 CDEDLO Cc1nc[nH]c1C[NH+]1CC2(C[C@@H]2C(=O)NC2(C#N)CCC2)C1 ZINC001278353766 946907973 /nfs/dbraw/zinc/90/79/73/946907973.db2.gz QMXXWLDEKMKHTD-GFCCVEGCSA-N 1 2 299.378 1.103 20 30 CDEDLO CCn1nnc2c1[C@H](COC)C[N@@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC001254659401 947575270 /nfs/dbraw/zinc/57/52/70/947575270.db2.gz PEUONXBMMAQSNN-AVGNSLFASA-N 1 2 289.383 1.536 20 30 CDEDLO CCn1nnc2c1[C@H](COC)C[N@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC001254659401 947575276 /nfs/dbraw/zinc/57/52/76/947575276.db2.gz PEUONXBMMAQSNN-AVGNSLFASA-N 1 2 289.383 1.536 20 30 CDEDLO CCCC#Cc1nnc(CC[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC001258092983 948699278 /nfs/dbraw/zinc/69/92/78/948699278.db2.gz XLCMVXRUFOYSBG-STQMWFEESA-N 1 2 277.368 1.873 20 30 CDEDLO C=CCC[C@H](O)C[NH+]1CCN(C(=O)C(F)(F)F)CC1 ZINC001252594478 951488210 /nfs/dbraw/zinc/48/82/10/951488210.db2.gz ZDHRPLYZILUBJT-JTQLQIEISA-N 1 2 280.290 1.020 20 30 CDEDLO C=C[C@H](O)C[N@H+]1CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC001253585866 951977929 /nfs/dbraw/zinc/97/79/29/951977929.db2.gz HDJIGJQWWJFYNB-WDEREUQCSA-N 1 2 256.346 1.432 20 30 CDEDLO C=C[C@H](O)C[N@@H+]1CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC001253585866 951977931 /nfs/dbraw/zinc/97/79/31/951977931.db2.gz HDJIGJQWWJFYNB-WDEREUQCSA-N 1 2 256.346 1.432 20 30 CDEDLO C[N@H+](CCC#N)C[C@](C)(O)C(=O)OCc1ccccc1 ZINC001253622552 951999646 /nfs/dbraw/zinc/99/96/46/951999646.db2.gz VYNLILGRIOCKMQ-HNNXBMFYSA-N 1 2 276.336 1.326 20 30 CDEDLO C[N@@H+](CCC#N)C[C@](C)(O)C(=O)OCc1ccccc1 ZINC001253622552 951999650 /nfs/dbraw/zinc/99/96/50/951999650.db2.gz VYNLILGRIOCKMQ-HNNXBMFYSA-N 1 2 276.336 1.326 20 30 CDEDLO C=CCC(CC=C)C(=O)N1CC[NH2+]C[C@@H]1C(=O)OCC ZINC001326309578 954313229 /nfs/dbraw/zinc/31/32/29/954313229.db2.gz OHLMPLFNJIUCQQ-CYBMUJFWSA-N 1 2 280.368 1.118 20 30 CDEDLO C[C@H]1OCC[C@]12C[N@H+](Cc1cc(C#N)ccn1)C[C@@H](C)O2 ZINC001363233992 972005604 /nfs/dbraw/zinc/00/56/04/972005604.db2.gz MSHFDAPWVJKIQG-IOASZLSFSA-N 1 2 287.363 1.722 20 30 CDEDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cc(C#N)ccn1)C[C@@H](C)O2 ZINC001363233992 972005614 /nfs/dbraw/zinc/00/56/14/972005614.db2.gz MSHFDAPWVJKIQG-IOASZLSFSA-N 1 2 287.363 1.722 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C#N)ccc1F ZINC001294284586 954486210 /nfs/dbraw/zinc/48/62/10/954486210.db2.gz YMSIPEASXKUWCH-UHFFFAOYSA-N 1 2 258.256 1.659 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cn1nc(C)cc1C ZINC001492330521 955804412 /nfs/dbraw/zinc/80/44/12/955804412.db2.gz KNYHTXOJHXVOCE-UHFFFAOYSA-N 1 2 284.791 1.300 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cn1nc(C)cc1C ZINC001492330521 955804421 /nfs/dbraw/zinc/80/44/21/955804421.db2.gz KNYHTXOJHXVOCE-UHFFFAOYSA-N 1 2 284.791 1.300 20 30 CDEDLO C=CCC[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001339280743 956397743 /nfs/dbraw/zinc/39/77/43/956397743.db2.gz MKPNIJUTBYPMRU-CHWSQXEVSA-N 1 2 252.358 1.274 20 30 CDEDLO C=CCC[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001339280743 956397752 /nfs/dbraw/zinc/39/77/52/956397752.db2.gz MKPNIJUTBYPMRU-CHWSQXEVSA-N 1 2 252.358 1.274 20 30 CDEDLO C[C@H](C#N)C(=O)NC1(C)CC[NH+](Cc2nccn2C)CC1 ZINC001423507914 956823201 /nfs/dbraw/zinc/82/32/01/956823201.db2.gz QYXFZNWTLVVHEY-GFCCVEGCSA-N 1 2 289.383 1.050 20 30 CDEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C#CCOC ZINC001329262241 956964656 /nfs/dbraw/zinc/96/46/56/956964656.db2.gz ICFRFDQRGIYRMX-UHFFFAOYSA-N 1 2 277.368 1.334 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cc1ccco1 ZINC001317465530 957495888 /nfs/dbraw/zinc/49/58/88/957495888.db2.gz BPSWKJRFQLZIOT-UHFFFAOYSA-N 1 2 256.733 1.623 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cc1ccco1 ZINC001317465530 957495891 /nfs/dbraw/zinc/49/58/91/957495891.db2.gz BPSWKJRFQLZIOT-UHFFFAOYSA-N 1 2 256.733 1.623 20 30 CDEDLO C=CCn1nnnc1N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC001332488172 957587882 /nfs/dbraw/zinc/58/78/82/957587882.db2.gz FJKFHCSUNSVTPS-NWDGAFQWSA-N 1 2 273.344 1.143 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)CC#Cc1ccccc1 ZINC001333236292 958177586 /nfs/dbraw/zinc/17/75/86/958177586.db2.gz GAXJHZHSISOSQX-UHFFFAOYSA-N 1 2 253.305 1.478 20 30 CDEDLO C=C(CO)C(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC001333301321 958225424 /nfs/dbraw/zinc/22/54/24/958225424.db2.gz DLCFIYNIECQQFC-UHFFFAOYSA-N 1 2 269.370 1.472 20 30 CDEDLO C[N@H+](CC(=O)NCC#N)Cc1cc2ccccc2[nH]1 ZINC001319493242 958592806 /nfs/dbraw/zinc/59/28/06/958592806.db2.gz RJBSECNHSVWHJA-UHFFFAOYSA-N 1 2 256.309 1.239 20 30 CDEDLO C[N@@H+](CC(=O)NCC#N)Cc1cc2ccccc2[nH]1 ZINC001319493242 958592813 /nfs/dbraw/zinc/59/28/13/958592813.db2.gz RJBSECNHSVWHJA-UHFFFAOYSA-N 1 2 256.309 1.239 20 30 CDEDLO CC[C@@H](C(=O)NCC1(CC#N)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001433971019 960827992 /nfs/dbraw/zinc/82/79/92/960827992.db2.gz XDZUJHSGXVPIFB-KBPBESRZSA-N 1 2 293.411 1.686 20 30 CDEDLO CC[C@@H](C(=O)NCC1(CC#N)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC001433971019 960828009 /nfs/dbraw/zinc/82/80/09/960828009.db2.gz XDZUJHSGXVPIFB-KBPBESRZSA-N 1 2 293.411 1.686 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNc1cc(C#N)cc(Cl)n1 ZINC001339574144 962431573 /nfs/dbraw/zinc/43/15/73/962431573.db2.gz HIQKHJGWDJQBDI-JTQLQIEISA-N 1 2 280.759 1.739 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNc1cc(C#N)cc(Cl)n1 ZINC001339574144 962431586 /nfs/dbraw/zinc/43/15/86/962431586.db2.gz HIQKHJGWDJQBDI-JTQLQIEISA-N 1 2 280.759 1.739 20 30 CDEDLO Cc1cc(C[NH2+]C2(CNC(=O)c3cc(C#N)c[nH]3)CC2)no1 ZINC001420917298 963357770 /nfs/dbraw/zinc/35/77/70/963357770.db2.gz GAGVPIZMFQEJTP-UHFFFAOYSA-N 1 2 299.334 1.235 20 30 CDEDLO C#CCN(C)c1nnc(Cc2[nH+]ccn2C)n1CC(=C)C ZINC001343420414 963976902 /nfs/dbraw/zinc/97/69/02/963976902.db2.gz UUZCJRNXERRBLH-UHFFFAOYSA-N 1 2 284.367 1.248 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC001344596814 964375918 /nfs/dbraw/zinc/37/59/18/964375918.db2.gz MQUVDMBVDPRJFZ-AGIUHOORSA-N 1 2 271.332 1.555 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC001344596814 964375930 /nfs/dbraw/zinc/37/59/30/964375930.db2.gz MQUVDMBVDPRJFZ-AGIUHOORSA-N 1 2 271.332 1.555 20 30 CDEDLO C=C(CC)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001347147866 965393134 /nfs/dbraw/zinc/39/31/34/965393134.db2.gz KMIMQLKFICGMQV-UHFFFAOYSA-N 1 2 260.341 1.400 20 30 CDEDLO Cc1ccc(C#N)cc1C(=O)NCCc1[nH+]ccn1C ZINC001347746204 965679510 /nfs/dbraw/zinc/67/95/10/965679510.db2.gz XHPFCMSONSJUBK-UHFFFAOYSA-N 1 2 268.320 1.573 20 30 CDEDLO N#C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC001348800060 966181530 /nfs/dbraw/zinc/18/15/30/966181530.db2.gz AKTGWHKNEPFLDA-NSHDSACASA-N 1 2 297.318 1.035 20 30 CDEDLO C=CCCSCCNC(=O)CCc1[nH+]ccn1C ZINC001350080231 966576991 /nfs/dbraw/zinc/57/69/91/966576991.db2.gz ILWGLPMOHUJDLM-UHFFFAOYSA-N 1 2 267.398 1.778 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(C#N)n2C)C1 ZINC001448671623 967201249 /nfs/dbraw/zinc/20/12/49/967201249.db2.gz PNZCUXSCDGTRFI-LBPRGKRZSA-N 1 2 297.362 1.650 20 30 CDEDLO C#CC[NH2+]C1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001100349331 968085595 /nfs/dbraw/zinc/08/55/95/968085595.db2.gz ZBYYQAVKGFTLRK-AMDVSUOASA-N 1 2 266.238 1.004 20 30 CDEDLO C#CC[NH2+]C1CC(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001100349331 968085608 /nfs/dbraw/zinc/08/56/08/968085608.db2.gz ZBYYQAVKGFTLRK-AMDVSUOASA-N 1 2 266.238 1.004 20 30 CDEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2CCCC[N@@H+]2C)n1CC ZINC001356569956 969431645 /nfs/dbraw/zinc/43/16/45/969431645.db2.gz KLSBIXHHKPMLMK-CHWSQXEVSA-N 1 2 275.400 1.913 20 30 CDEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2CCCC[N@H+]2C)n1CC ZINC001356569956 969431650 /nfs/dbraw/zinc/43/16/50/969431650.db2.gz KLSBIXHHKPMLMK-CHWSQXEVSA-N 1 2 275.400 1.913 20 30 CDEDLO C=CCn1c(Nc2ccn(C)n2)nnc1[C@@H]1CCC[N@@H+]1C ZINC001520505445 970194119 /nfs/dbraw/zinc/19/41/19/970194119.db2.gz UIRYMBTWQXUOAP-NSHDSACASA-N 1 2 287.371 1.708 20 30 CDEDLO C=CCn1c(Nc2ccn(C)n2)nnc1[C@@H]1CCC[N@H+]1C ZINC001520505445 970194122 /nfs/dbraw/zinc/19/41/22/970194122.db2.gz UIRYMBTWQXUOAP-NSHDSACASA-N 1 2 287.371 1.708 20 30 CDEDLO C=C(CC)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001521808026 970358172 /nfs/dbraw/zinc/35/81/72/970358172.db2.gz UUCNYOWKQBMTRC-UHFFFAOYSA-N 1 2 265.401 1.191 20 30 CDEDLO CCC(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001496644784 973006143 /nfs/dbraw/zinc/00/61/43/973006143.db2.gz KBLHCXBQLFFQAN-UHFFFAOYSA-N 1 2 277.343 1.998 20 30 CDEDLO CCC(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001496644784 973006156 /nfs/dbraw/zinc/00/61/56/973006156.db2.gz KBLHCXBQLFFQAN-UHFFFAOYSA-N 1 2 277.343 1.998 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cccnc1 ZINC001496653925 973012746 /nfs/dbraw/zinc/01/27/46/973012746.db2.gz WZXDRKYXPJNWQP-UHFFFAOYSA-N 1 2 267.760 1.838 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cccnc1 ZINC001496653925 973012757 /nfs/dbraw/zinc/01/27/57/973012757.db2.gz WZXDRKYXPJNWQP-UHFFFAOYSA-N 1 2 267.760 1.838 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cocn1 ZINC001498241012 973774248 /nfs/dbraw/zinc/77/42/48/973774248.db2.gz TWFKXHSXMGDWGG-SECBINFHSA-N 1 2 257.721 1.477 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cocn1 ZINC001498241012 973774259 /nfs/dbraw/zinc/77/42/59/973774259.db2.gz TWFKXHSXMGDWGG-SECBINFHSA-N 1 2 257.721 1.477 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](O)C(C)C ZINC001390125578 976127968 /nfs/dbraw/zinc/12/79/68/976127968.db2.gz LGSCYEANHGVURC-CHWSQXEVSA-N 1 2 288.819 1.727 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](O)C(C)C ZINC001390125578 976127974 /nfs/dbraw/zinc/12/79/74/976127974.db2.gz LGSCYEANHGVURC-CHWSQXEVSA-N 1 2 288.819 1.727 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1cncn1C)C1CC1 ZINC001404282566 977396065 /nfs/dbraw/zinc/39/60/65/977396065.db2.gz DOSVTLANUIZAAE-UHFFFAOYSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1cncn1C)C1CC1 ZINC001404282566 977396071 /nfs/dbraw/zinc/39/60/71/977396071.db2.gz DOSVTLANUIZAAE-UHFFFAOYSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)CN(CCNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001404282566 977396075 /nfs/dbraw/zinc/39/60/75/977396075.db2.gz DOSVTLANUIZAAE-UHFFFAOYSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1ncc[nH]1 ZINC001392715023 977565310 /nfs/dbraw/zinc/56/53/10/977565310.db2.gz VDTGHPITPYEYBN-SNVBAGLBSA-N 1 2 270.764 1.141 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1ncc[nH]1 ZINC001392715023 977565319 /nfs/dbraw/zinc/56/53/19/977565319.db2.gz VDTGHPITPYEYBN-SNVBAGLBSA-N 1 2 270.764 1.141 20 30 CDEDLO C#CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(=O)[O-] ZINC001588421338 983440488 /nfs/dbraw/zinc/44/04/88/983440488.db2.gz HGECVBNCUNDZDA-CYBMUJFWSA-N 1 2 273.336 1.117 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+][C@@H](C)c1nc(CC)no1 ZINC001132398819 1163266542 /nfs/dbraw/zinc/26/65/42/1163266542.db2.gz QBUYFWSOEWPIPU-JTQLQIEISA-N 1 2 280.372 1.611 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nn(C)cc1Cl ZINC001132391301 1163274212 /nfs/dbraw/zinc/27/42/12/1163274212.db2.gz HJOGWPUHKUHWQQ-UHFFFAOYSA-N 1 2 284.791 1.492 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+]Cc1nc(CCC)no1 ZINC001133379224 1163662410 /nfs/dbraw/zinc/66/24/10/1163662410.db2.gz WWJHHPDZUASDCY-OAHLLOKOSA-N 1 2 294.399 1.830 20 30 CDEDLO CN(C)c1ccc(CNC(=O)c2cccc(C#N)n2)c[nH+]1 ZINC000589300751 342503135 /nfs/dbraw/zinc/50/31/35/342503135.db2.gz FZKCGJUOLQHJMI-UHFFFAOYSA-N 1 2 281.319 1.344 20 30 CDEDLO N#Cc1cccc(C(=O)Nc2ccc3[nH+]ccn3c2)n1 ZINC000589413609 342505187 /nfs/dbraw/zinc/50/51/87/342505187.db2.gz CAPVPLKKIALCKF-UHFFFAOYSA-N 1 2 263.260 1.853 20 30 CDEDLO C=C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)C(=O)OC ZINC000589655683 342511277 /nfs/dbraw/zinc/51/12/77/342511277.db2.gz GNMJONMFUKZPSB-GXTWGEPZSA-N 1 2 292.354 1.969 20 30 CDEDLO COC(=O)C[C@@](C)([NH2+]CC1(C#N)CC1)c1ccncc1 ZINC000589822630 342514566 /nfs/dbraw/zinc/51/45/66/342514566.db2.gz RFEYJBYDSWGCHA-CQSZACIVSA-N 1 2 273.336 1.753 20 30 CDEDLO N#Cc1ccncc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000589835983 342515150 /nfs/dbraw/zinc/51/51/50/342515150.db2.gz YQDVATXQHMPICJ-ZDUSSCGKSA-N 1 2 281.319 1.627 20 30 CDEDLO N#CCCCCNc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000178895305 342532952 /nfs/dbraw/zinc/53/29/52/342532952.db2.gz VWHKPWKODCVOCL-UHFFFAOYSA-N 1 2 294.322 1.711 20 30 CDEDLO COC(=O)[C@H](CNc1cc(C)[nH+]cc1C#N)CC1CC1 ZINC000565074993 365575660 /nfs/dbraw/zinc/57/56/60/365575660.db2.gz UKTUPKBLSKPSNK-LBPRGKRZSA-N 1 2 273.336 1.685 20 30 CDEDLO Cc1cccn2cc(CC(=O)N(CC#N)C3CC3)[nH+]c12 ZINC000608847713 342078423 /nfs/dbraw/zinc/07/84/23/342078423.db2.gz AAYXWKUWWGTQGK-UHFFFAOYSA-N 1 2 268.320 1.700 20 30 CDEDLO N#Cc1cccnc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609132698 342091576 /nfs/dbraw/zinc/09/15/76/342091576.db2.gz CKHHZTXQOCZCGA-CYBMUJFWSA-N 1 2 253.309 1.991 20 30 CDEDLO C=CCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000047605739 342103044 /nfs/dbraw/zinc/10/30/44/342103044.db2.gz SLBXZQRYTUGGMF-UHFFFAOYSA-N 1 2 284.363 1.959 20 30 CDEDLO Cc1cc(C)nc(SC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000591241761 342622329 /nfs/dbraw/zinc/62/23/29/342622329.db2.gz IVBAZLZVHBQICT-ZDUSSCGKSA-N 1 2 279.409 1.997 20 30 CDEDLO Cc1cc(C)nc(SC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000591241761 342622330 /nfs/dbraw/zinc/62/23/30/342622330.db2.gz IVBAZLZVHBQICT-ZDUSSCGKSA-N 1 2 279.409 1.997 20 30 CDEDLO CS(=O)(=O)c1cccc(C[NH2+]C[C@H](C#N)CCC#N)c1 ZINC000591770497 342646134 /nfs/dbraw/zinc/64/61/34/342646134.db2.gz DCQMINSEELPTCH-ZDUSSCGKSA-N 1 2 291.376 1.623 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147127 342673733 /nfs/dbraw/zinc/67/37/33/342673733.db2.gz LVFAHMHUXKBRHQ-SWLSCSKDSA-N 1 2 273.336 1.364 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147127 342673735 /nfs/dbraw/zinc/67/37/35/342673735.db2.gz LVFAHMHUXKBRHQ-SWLSCSKDSA-N 1 2 273.336 1.364 20 30 CDEDLO CC(C)c1noc([C@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)n1 ZINC000592147966 342668071 /nfs/dbraw/zinc/66/80/71/342668071.db2.gz UVWKTLDDOVLZCV-GXFFZTMASA-N 1 2 264.329 1.604 20 30 CDEDLO CC(C)c1noc([C@H](C)[N@H+]2CC[C@](O)(CC#N)C2)n1 ZINC000592147966 342668072 /nfs/dbraw/zinc/66/80/72/342668072.db2.gz UVWKTLDDOVLZCV-GXFFZTMASA-N 1 2 264.329 1.604 20 30 CDEDLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)s1 ZINC000592150833 342668818 /nfs/dbraw/zinc/66/88/18/342668818.db2.gz HKMHZRNJBMDZMH-LDYMZIIASA-N 1 2 252.343 1.258 20 30 CDEDLO Cc1nnc([C@@H](C)[N@H+]2CC[C@](O)(CC#N)C2)s1 ZINC000592150833 342668819 /nfs/dbraw/zinc/66/88/19/342668819.db2.gz HKMHZRNJBMDZMH-LDYMZIIASA-N 1 2 252.343 1.258 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000592136352 342672573 /nfs/dbraw/zinc/67/25/73/342672573.db2.gz IDDPBEOROIVJRF-UONOGXRCSA-N 1 2 261.321 1.867 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000592136352 342672574 /nfs/dbraw/zinc/67/25/74/342672574.db2.gz IDDPBEOROIVJRF-UONOGXRCSA-N 1 2 261.321 1.867 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1c[nH+]ccc1OC ZINC000562854998 361858677 /nfs/dbraw/zinc/85/86/77/361858677.db2.gz HBVQGTYRNFWMSJ-NEPJUHHUSA-N 1 2 277.324 1.233 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440486448 361875878 /nfs/dbraw/zinc/87/58/78/361875878.db2.gz LUNUZGNVMJTKPO-GFCCVEGCSA-N 1 2 276.384 1.723 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440486448 361875883 /nfs/dbraw/zinc/87/58/83/361875883.db2.gz LUNUZGNVMJTKPO-GFCCVEGCSA-N 1 2 276.384 1.723 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(C(C)C)nc2)C1=O ZINC000440476402 361876531 /nfs/dbraw/zinc/87/65/31/361876531.db2.gz VMDQLSRYCMMUNL-CQSZACIVSA-N 1 2 288.395 1.819 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(C(C)C)nc2)C1=O ZINC000440476402 361876533 /nfs/dbraw/zinc/87/65/33/361876533.db2.gz VMDQLSRYCMMUNL-CQSZACIVSA-N 1 2 288.395 1.819 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CCCCS1 ZINC000593154856 342774219 /nfs/dbraw/zinc/77/42/19/342774219.db2.gz LTXFDHGMNUIZEF-ZYHUDNBSSA-N 1 2 255.387 1.232 20 30 CDEDLO CC[C@@H](C#N)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000593471612 342804177 /nfs/dbraw/zinc/80/41/77/342804177.db2.gz HOXZHRPSJYSHBZ-KBPBESRZSA-N 1 2 286.379 1.837 20 30 CDEDLO N#Cc1ccc(C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)o1 ZINC000093814269 361945963 /nfs/dbraw/zinc/94/59/63/361945963.db2.gz RTBQFQQNKZVDMH-VIFPVBQESA-N 1 2 292.257 1.259 20 30 CDEDLO N#Cc1ccc(C[N@H+](CCC(F)(F)F)C[C@H](O)CO)o1 ZINC000093814269 361945970 /nfs/dbraw/zinc/94/59/70/361945970.db2.gz RTBQFQQNKZVDMH-VIFPVBQESA-N 1 2 292.257 1.259 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000441026668 361965078 /nfs/dbraw/zinc/96/50/78/361965078.db2.gz XWNMNLLILLJFTO-GFCCVEGCSA-N 1 2 286.331 1.169 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000441026668 361965082 /nfs/dbraw/zinc/96/50/82/361965082.db2.gz XWNMNLLILLJFTO-GFCCVEGCSA-N 1 2 286.331 1.169 20 30 CDEDLO CCOC(=O)C[N@@H+](Cc1ccc(C#N)cn1)CC(C)C ZINC000593948805 342859949 /nfs/dbraw/zinc/85/99/49/342859949.db2.gz QMTBLTGPKQLFFI-UHFFFAOYSA-N 1 2 275.352 1.974 20 30 CDEDLO CCOC(=O)C[N@H+](Cc1ccc(C#N)cn1)CC(C)C ZINC000593948805 342859951 /nfs/dbraw/zinc/85/99/51/342859951.db2.gz QMTBLTGPKQLFFI-UHFFFAOYSA-N 1 2 275.352 1.974 20 30 CDEDLO CC(C)(C)n1nnc(CC[N@@H+]2CCC[C@](C)(C#N)C2)n1 ZINC000595427183 343056798 /nfs/dbraw/zinc/05/67/98/343056798.db2.gz SCIYBZLQKKGWAK-CQSZACIVSA-N 1 2 276.388 1.596 20 30 CDEDLO CC(C)(C)n1nnc(CC[N@H+]2CCC[C@](C)(C#N)C2)n1 ZINC000595427183 343056799 /nfs/dbraw/zinc/05/67/99/343056799.db2.gz SCIYBZLQKKGWAK-CQSZACIVSA-N 1 2 276.388 1.596 20 30 CDEDLO N#CC1(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000619530827 349792824 /nfs/dbraw/zinc/79/28/24/349792824.db2.gz CLMOPIUYQRDUOC-GFCCVEGCSA-N 1 2 285.351 1.263 20 30 CDEDLO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC#N)C2)on1 ZINC000595612344 343108984 /nfs/dbraw/zinc/10/89/84/343108984.db2.gz UPJMDMGNXFDSPZ-VXGBXAGGSA-N 1 2 276.340 1.936 20 30 CDEDLO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)on1 ZINC000595612344 343108987 /nfs/dbraw/zinc/10/89/87/343108987.db2.gz UPJMDMGNXFDSPZ-VXGBXAGGSA-N 1 2 276.340 1.936 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C2CC2)C2(C(=O)OC)CCC2)C1=O ZINC000595540877 343092846 /nfs/dbraw/zinc/09/28/46/343092846.db2.gz ABPSUDOSBSGKKG-ZDUSSCGKSA-N 1 2 292.379 1.333 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C2CC2)C2(C(=O)OC)CCC2)C1=O ZINC000595540877 343092848 /nfs/dbraw/zinc/09/28/48/343092848.db2.gz ABPSUDOSBSGKKG-ZDUSSCGKSA-N 1 2 292.379 1.333 20 30 CDEDLO Cn1cc(C[N@H+](C)CCOc2ccc(C#N)cc2)nn1 ZINC000595757321 343142584 /nfs/dbraw/zinc/14/25/84/343142584.db2.gz BWPXOSANETXGFV-UHFFFAOYSA-N 1 2 271.324 1.198 20 30 CDEDLO Cn1cc(C[N@@H+](C)CCOc2ccc(C#N)cc2)nn1 ZINC000595757321 343142586 /nfs/dbraw/zinc/14/25/86/343142586.db2.gz BWPXOSANETXGFV-UHFFFAOYSA-N 1 2 271.324 1.198 20 30 CDEDLO C=CC[N@@H+](C)Cc1nnnn1-c1cc(OC)cc(OC)c1 ZINC000083248854 342376787 /nfs/dbraw/zinc/37/67/87/342376787.db2.gz GQFKPCOPTXIIFR-UHFFFAOYSA-N 1 2 289.339 1.297 20 30 CDEDLO C=CC[N@H+](C)Cc1nnnn1-c1cc(OC)cc(OC)c1 ZINC000083248854 342376788 /nfs/dbraw/zinc/37/67/88/342376788.db2.gz GQFKPCOPTXIIFR-UHFFFAOYSA-N 1 2 289.339 1.297 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(C#N)cs1 ZINC000084180157 342378319 /nfs/dbraw/zinc/37/83/19/342378319.db2.gz DTTRWTHPNFYZEU-SECBINFHSA-N 1 2 260.322 1.635 20 30 CDEDLO C[C@H](O)[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000089927502 342394262 /nfs/dbraw/zinc/39/42/62/342394262.db2.gz ZFKBPWKTGYNUCU-CMPLNLGQSA-N 1 2 293.392 1.651 20 30 CDEDLO C[C@H](O)[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000089927502 342394263 /nfs/dbraw/zinc/39/42/63/342394263.db2.gz ZFKBPWKTGYNUCU-CMPLNLGQSA-N 1 2 293.392 1.651 20 30 CDEDLO N#Cc1cncc(NCc2ccc[nH+]c2N2CCCC2)n1 ZINC000596356575 343309716 /nfs/dbraw/zinc/30/97/16/343309716.db2.gz KDACKLDCSOMORU-UHFFFAOYSA-N 1 2 280.335 1.956 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccccc1CC#N ZINC000600998735 342447798 /nfs/dbraw/zinc/44/77/98/342447798.db2.gz PQNFPVRFGBNTKV-GFCCVEGCSA-N 1 2 268.320 1.768 20 30 CDEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000444728831 362200741 /nfs/dbraw/zinc/20/07/41/362200741.db2.gz BZOCFYKYRBZVKE-CABCVRRESA-N 1 2 288.347 1.251 20 30 CDEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000444728831 362200743 /nfs/dbraw/zinc/20/07/43/362200743.db2.gz BZOCFYKYRBZVKE-CABCVRRESA-N 1 2 288.347 1.251 20 30 CDEDLO Cc1nsc(N2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000330263212 362196653 /nfs/dbraw/zinc/19/66/53/362196653.db2.gz WFDPYCJZYSEBBB-RYUDHWBXSA-N 1 2 277.397 1.661 20 30 CDEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000444728832 362200144 /nfs/dbraw/zinc/20/01/44/362200144.db2.gz BZOCFYKYRBZVKE-GJZGRUSLSA-N 1 2 288.347 1.251 20 30 CDEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000444728832 362200150 /nfs/dbraw/zinc/20/01/50/362200150.db2.gz BZOCFYKYRBZVKE-GJZGRUSLSA-N 1 2 288.347 1.251 20 30 CDEDLO CCOC(=O)C[N@H+](C[C@H](O)CC(C)(C)C#N)C1CC1 ZINC000598588930 343835888 /nfs/dbraw/zinc/83/58/88/343835888.db2.gz DOBBCMZDNCTQNS-GFCCVEGCSA-N 1 2 268.357 1.315 20 30 CDEDLO CCOC(=O)C[N@@H+](C[C@H](O)CC(C)(C)C#N)C1CC1 ZINC000598588930 343835889 /nfs/dbraw/zinc/83/58/89/343835889.db2.gz DOBBCMZDNCTQNS-GFCCVEGCSA-N 1 2 268.357 1.315 20 30 CDEDLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598615476 343842968 /nfs/dbraw/zinc/84/29/68/343842968.db2.gz BLBIAIVXSZTWAB-OUAUKWLOSA-N 1 2 294.317 1.939 20 30 CDEDLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598615476 343842970 /nfs/dbraw/zinc/84/29/70/343842970.db2.gz BLBIAIVXSZTWAB-OUAUKWLOSA-N 1 2 294.317 1.939 20 30 CDEDLO C[N@@H+]1CCOC[C@H]1CNc1nc2c(cc1C#N)CCCC2 ZINC000599160495 343970860 /nfs/dbraw/zinc/97/08/60/343970860.db2.gz KMVLSYUWVODQLR-CQSZACIVSA-N 1 2 286.379 1.575 20 30 CDEDLO C[N@H+]1CCOC[C@H]1CNc1nc2c(cc1C#N)CCCC2 ZINC000599160495 343970862 /nfs/dbraw/zinc/97/08/62/343970862.db2.gz KMVLSYUWVODQLR-CQSZACIVSA-N 1 2 286.379 1.575 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)[C@@H](C)CO1 ZINC000330300722 362332267 /nfs/dbraw/zinc/33/22/67/362332267.db2.gz NJTLOJUSKBYPIM-QJPTWQEYSA-N 1 2 278.356 1.221 20 30 CDEDLO C[C@@]1(C#N)CCCN(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000612112110 347024871 /nfs/dbraw/zinc/02/48/71/347024871.db2.gz UHRRZUWPAOOSTA-HNNXBMFYSA-N 1 2 289.383 1.999 20 30 CDEDLO Cc1cn2ccc(C(=O)N3CCSC[C@H]3C#N)cc2[nH+]1 ZINC000602133167 344357444 /nfs/dbraw/zinc/35/74/44/344357444.db2.gz OWFXXTKDWQUJTL-GFCCVEGCSA-N 1 2 286.360 1.724 20 30 CDEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CC1(CC#N)CC1 ZINC000602788908 344601117 /nfs/dbraw/zinc/60/11/17/344601117.db2.gz XXWSVKBNZQQMCA-QWRGUYRKSA-N 1 2 258.387 1.434 20 30 CDEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)CC1(CC#N)CC1 ZINC000602788908 344601119 /nfs/dbraw/zinc/60/11/19/344601119.db2.gz XXWSVKBNZQQMCA-QWRGUYRKSA-N 1 2 258.387 1.434 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000602864584 344637582 /nfs/dbraw/zinc/63/75/82/344637582.db2.gz STMBNGCYVSIBBD-LLVKDONJSA-N 1 2 256.309 1.066 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C)Cc1cccs1 ZINC000602865097 344638274 /nfs/dbraw/zinc/63/82/74/344638274.db2.gz SSEPSDFFMNYXCX-SNVBAGLBSA-N 1 2 251.355 1.598 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCc1ccc(Cl)cc1 ZINC000602865846 344638482 /nfs/dbraw/zinc/63/84/82/344638482.db2.gz ZRZDMJTZAAPTCL-JTQLQIEISA-N 1 2 265.744 1.848 20 30 CDEDLO Cc1nc(NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N)sc1C ZINC000602868200 344639511 /nfs/dbraw/zinc/63/95/11/344639511.db2.gz HTNUCBSESUXPCY-VXNVDRBHSA-N 1 2 266.370 1.979 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](CC)Cc1cnn(C)c1 ZINC000161100036 362589061 /nfs/dbraw/zinc/58/90/61/362589061.db2.gz CHQOSPVANWCSKD-UHFFFAOYSA-N 1 2 278.400 1.667 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CC)Cc1cnn(C)c1 ZINC000161100036 362589068 /nfs/dbraw/zinc/58/90/68/362589068.db2.gz CHQOSPVANWCSKD-UHFFFAOYSA-N 1 2 278.400 1.667 20 30 CDEDLO C=CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H](C)COC ZINC000617581574 345866752 /nfs/dbraw/zinc/86/67/52/345866752.db2.gz UGPNSBQGBHVUFX-STQMWFEESA-N 1 2 277.368 1.495 20 30 CDEDLO C[C@H](C#N)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000357824739 346098680 /nfs/dbraw/zinc/09/86/80/346098680.db2.gz JPDNYVRDYMIQRO-CYBMUJFWSA-N 1 2 287.363 1.295 20 30 CDEDLO N#CC1(NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000160709138 346198580 /nfs/dbraw/zinc/19/85/80/346198580.db2.gz JQLINJSFWMBRIM-UHFFFAOYSA-N 1 2 252.277 1.658 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000584584375 346371247 /nfs/dbraw/zinc/37/12/47/346371247.db2.gz DMRKNMBSKQCWEQ-KGLIPLIRSA-N 1 2 260.337 1.906 20 30 CDEDLO N#CCN1CCC(Nc2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000611142529 346620408 /nfs/dbraw/zinc/62/04/08/346620408.db2.gz BXLOLMWLCADTRK-UHFFFAOYSA-N 1 2 286.383 1.698 20 30 CDEDLO N#CCN1CCC(Nc2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000611142529 346620411 /nfs/dbraw/zinc/62/04/11/346620411.db2.gz BXLOLMWLCADTRK-UHFFFAOYSA-N 1 2 286.383 1.698 20 30 CDEDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000610992131 346568162 /nfs/dbraw/zinc/56/81/62/346568162.db2.gz BWVKPANQVZWJHI-ZDUSSCGKSA-N 1 2 272.352 1.444 20 30 CDEDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610992131 346568165 /nfs/dbraw/zinc/56/81/65/346568165.db2.gz BWVKPANQVZWJHI-ZDUSSCGKSA-N 1 2 272.352 1.444 20 30 CDEDLO COc1ccc(C[NH+]2CCN(CCC#N)CC2)cn1 ZINC000611173899 346627047 /nfs/dbraw/zinc/62/70/47/346627047.db2.gz PXFVMYOQTJMJTN-UHFFFAOYSA-N 1 2 260.341 1.121 20 30 CDEDLO CC(C)(C)OC(=O)[C@H]1C[N@H+](CCC(C)(C)C#N)CCO1 ZINC000611462525 346792476 /nfs/dbraw/zinc/79/24/76/346792476.db2.gz HYYGGLZUHXPQLO-GFCCVEGCSA-N 1 2 282.384 1.969 20 30 CDEDLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](CCC(C)(C)C#N)CCO1 ZINC000611462525 346792478 /nfs/dbraw/zinc/79/24/78/346792478.db2.gz HYYGGLZUHXPQLO-GFCCVEGCSA-N 1 2 282.384 1.969 20 30 CDEDLO C=CCC1(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CCCC1 ZINC000449849106 362776750 /nfs/dbraw/zinc/77/67/50/362776750.db2.gz MBPNTYCEPHDCNJ-HNNXBMFYSA-N 1 2 293.455 1.875 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000491513444 347583685 /nfs/dbraw/zinc/58/36/85/347583685.db2.gz BVYNGCUOKGHLMH-UHFFFAOYSA-N 1 2 275.333 1.907 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000491513444 347583686 /nfs/dbraw/zinc/58/36/86/347583686.db2.gz BVYNGCUOKGHLMH-UHFFFAOYSA-N 1 2 275.333 1.907 20 30 CDEDLO CCn1cc[nH+]c1/C=C/C(=O)N=c1cc(C)n(CCC#N)[nH]1 ZINC000492283263 347590817 /nfs/dbraw/zinc/59/08/17/347590817.db2.gz KOMGGGLRJXCZSG-AATRIKPKSA-N 1 2 298.350 1.395 20 30 CDEDLO N#CCC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000613971888 347954748 /nfs/dbraw/zinc/95/47/48/347954748.db2.gz HLJBYRPDKFKLTG-UHFFFAOYSA-N 1 2 254.293 1.098 20 30 CDEDLO N#Cc1cc(O)cc(C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000614716440 348206441 /nfs/dbraw/zinc/20/64/41/348206441.db2.gz ULBLRCNPMKSTAT-UHFFFAOYSA-N 1 2 296.330 1.891 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc2c1CCC2=O ZINC000414144547 362923730 /nfs/dbraw/zinc/92/37/30/362923730.db2.gz ORBREAOGHWXXCE-LBPRGKRZSA-N 1 2 288.347 1.401 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc2c1CCC2=O ZINC000414144547 362923734 /nfs/dbraw/zinc/92/37/34/362923734.db2.gz ORBREAOGHWXXCE-LBPRGKRZSA-N 1 2 288.347 1.401 20 30 CDEDLO COc1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc1C ZINC000414150781 362924621 /nfs/dbraw/zinc/92/46/21/362924621.db2.gz PELVPOFZEQKSRP-ZDUSSCGKSA-N 1 2 278.352 1.589 20 30 CDEDLO COc1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc1C ZINC000414150781 362924627 /nfs/dbraw/zinc/92/46/27/362924627.db2.gz PELVPOFZEQKSRP-ZDUSSCGKSA-N 1 2 278.352 1.589 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(O)cc1 ZINC000615504056 348564375 /nfs/dbraw/zinc/56/43/75/348564375.db2.gz BSGQVJJRVVXLOH-UHFFFAOYSA-N 1 2 289.379 1.440 20 30 CDEDLO C[C@@]1(C#N)CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000615789710 348724290 /nfs/dbraw/zinc/72/42/90/348724290.db2.gz HJSGGNNDDARFBH-DOMZBBRYSA-N 1 2 272.352 1.598 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000044588695 348765480 /nfs/dbraw/zinc/76/54/80/348765480.db2.gz XZVMXQZPFCCVPA-UHFFFAOYSA-N 1 2 258.321 1.086 20 30 CDEDLO C#CCN(C(=O)NCC[NH+]1CCOCC1)C1CCCCC1 ZINC000062465384 348914877 /nfs/dbraw/zinc/91/48/77/348914877.db2.gz SLEHHVWGGRXRKF-UHFFFAOYSA-N 1 2 293.411 1.296 20 30 CDEDLO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccon3)C2=O)cc1 ZINC000602017120 350045049 /nfs/dbraw/zinc/04/50/49/350045049.db2.gz MZTVSXBTTQGDPM-OAHLLOKOSA-N 1 2 296.330 1.437 20 30 CDEDLO CN(C)c1nccc(C[NH2+]Cc2cccc(C#N)n2)n1 ZINC000602581415 350129031 /nfs/dbraw/zinc/12/90/31/350129031.db2.gz JXTVGADZXJZHQN-UHFFFAOYSA-N 1 2 268.324 1.099 20 30 CDEDLO C[C@@H]1[C@H](C)[N@H+](Cc2ccc(C#N)cn2)[C@@H](C)C(=O)N1C ZINC000602846196 350155055 /nfs/dbraw/zinc/15/50/55/350155055.db2.gz CLCLTVLQWMMPST-WOPDTQHZSA-N 1 2 272.352 1.393 20 30 CDEDLO C[C@@H]1[C@H](C)[N@@H+](Cc2ccc(C#N)cn2)[C@@H](C)C(=O)N1C ZINC000602846196 350155058 /nfs/dbraw/zinc/15/50/58/350155058.db2.gz CLCLTVLQWMMPST-WOPDTQHZSA-N 1 2 272.352 1.393 20 30 CDEDLO CC[C@]1(O)CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000602983849 350173180 /nfs/dbraw/zinc/17/31/80/350173180.db2.gz VQWKZJKHTRKMIE-AWEZNQCLSA-N 1 2 293.392 1.795 20 30 CDEDLO CC[C@]1(O)CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000602983849 350173184 /nfs/dbraw/zinc/17/31/84/350173184.db2.gz VQWKZJKHTRKMIE-AWEZNQCLSA-N 1 2 293.392 1.795 20 30 CDEDLO COCC[N@H+](C)Cc1cn(Cc2ccccc2C#N)nn1 ZINC000603172843 350224126 /nfs/dbraw/zinc/22/41/26/350224126.db2.gz JCBCVKXLTTXFLZ-UHFFFAOYSA-N 1 2 285.351 1.276 20 30 CDEDLO COCC[N@@H+](C)Cc1cn(Cc2ccccc2C#N)nn1 ZINC000603172843 350224128 /nfs/dbraw/zinc/22/41/28/350224128.db2.gz JCBCVKXLTTXFLZ-UHFFFAOYSA-N 1 2 285.351 1.276 20 30 CDEDLO N#Cc1ccnc(N2CCN(c3cc[nH+]cc3F)CC2)c1 ZINC000603270193 350242386 /nfs/dbraw/zinc/24/23/86/350242386.db2.gz GSHBCUBPSCQKIY-UHFFFAOYSA-N 1 2 283.310 1.814 20 30 CDEDLO C=CCCS(=O)(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000130171859 187475552 /nfs/dbraw/zinc/47/55/52/187475552.db2.gz ZHQQNQUPIWERFC-UHFFFAOYSA-N 1 2 295.408 1.677 20 30 CDEDLO CC1(C)CCCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H]1C#N ZINC000281450347 351471330 /nfs/dbraw/zinc/47/13/30/351471330.db2.gz CMLSNYOWZUJSOZ-GFCCVEGCSA-N 1 2 260.341 1.883 20 30 CDEDLO CC1(C)CCCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]1C#N ZINC000281450347 351471333 /nfs/dbraw/zinc/47/13/33/351471333.db2.gz CMLSNYOWZUJSOZ-GFCCVEGCSA-N 1 2 260.341 1.883 20 30 CDEDLO C[C@H](O)C[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000156988752 188291283 /nfs/dbraw/zinc/29/12/83/188291283.db2.gz MGVOSGLDORIEEG-FZMZJTMJSA-N 1 2 278.327 1.669 20 30 CDEDLO C[C@H](O)C[C@H]1COCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000156988752 188291285 /nfs/dbraw/zinc/29/12/85/188291285.db2.gz MGVOSGLDORIEEG-FZMZJTMJSA-N 1 2 278.327 1.669 20 30 CDEDLO COc1ccc(/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000493164393 366195333 /nfs/dbraw/zinc/19/53/33/366195333.db2.gz LLPGQWYCVSBSHX-OJXHRBAXSA-N 1 2 287.363 1.668 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)NCCOc1ccc(C#N)cc1 ZINC000357962822 355928164 /nfs/dbraw/zinc/92/81/64/355928164.db2.gz UHLPHJFWEVIMLG-UHFFFAOYSA-N 1 2 299.334 1.170 20 30 CDEDLO C=CCCC(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000583950420 356045176 /nfs/dbraw/zinc/04/51/76/356045176.db2.gz UGPQCUJVRYEJPS-LBPRGKRZSA-N 1 2 277.368 1.124 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc(C#N)o1)CCC2 ZINC000336382817 356157183 /nfs/dbraw/zinc/15/71/83/356157183.db2.gz UEGWHPJWHPQMTD-LLVKDONJSA-N 1 2 284.319 1.964 20 30 CDEDLO CCN1CCN(Cc2c[nH+]c3ccc(C#N)cn23)[C@H](C)C1=O ZINC000342770151 356180828 /nfs/dbraw/zinc/18/08/28/356180828.db2.gz WDUDDPFYIKMVGI-GFCCVEGCSA-N 1 2 297.362 1.259 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1nnc(C)s1 ZINC000273578985 192213069 /nfs/dbraw/zinc/21/30/69/192213069.db2.gz GOCIOVWQEMYOLX-HTQZYQBOSA-N 1 2 254.359 1.188 20 30 CDEDLO CC(C)(C#N)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000042107639 356667287 /nfs/dbraw/zinc/66/72/87/356667287.db2.gz WYMXPUSJLIJHOH-UHFFFAOYSA-N 1 2 256.309 1.543 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000299333750 357029072 /nfs/dbraw/zinc/02/90/72/357029072.db2.gz PXVGSFKVINUEBC-ZNMIVQPWSA-N 1 2 260.381 1.733 20 30 CDEDLO CO[C@@H]1COC[C@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000566185694 357426325 /nfs/dbraw/zinc/42/63/25/357426325.db2.gz OADKPFINJZBVBI-CHWSQXEVSA-N 1 2 250.273 1.201 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H](C)O1 ZINC000189395454 358004545 /nfs/dbraw/zinc/00/45/45/358004545.db2.gz PSKQEAIOJWWVHF-BXUZGUMPSA-N 1 2 278.327 1.933 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H](C)O1 ZINC000189395454 358004551 /nfs/dbraw/zinc/00/45/51/358004551.db2.gz PSKQEAIOJWWVHF-BXUZGUMPSA-N 1 2 278.327 1.933 20 30 CDEDLO C=CCOCC[N@H+](CCc1ccccc1)CC(=O)OC ZINC000294551299 199082093 /nfs/dbraw/zinc/08/20/93/199082093.db2.gz KVPPKPBTSXNGQA-UHFFFAOYSA-N 1 2 277.364 1.907 20 30 CDEDLO C=CCOCC[N@@H+](CCc1ccccc1)CC(=O)OC ZINC000294551299 199082094 /nfs/dbraw/zinc/08/20/94/199082094.db2.gz KVPPKPBTSXNGQA-UHFFFAOYSA-N 1 2 277.364 1.907 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)/C=C\c1ccc(OCC#N)cc1 ZINC000493651359 366486800 /nfs/dbraw/zinc/48/68/00/366486800.db2.gz MHYDOGYMJXCPGD-DAXSKMNVSA-N 1 2 296.330 1.652 20 30 CDEDLO CO[C@H]1CC[N@H+](CCC#N)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000495282468 366521678 /nfs/dbraw/zinc/52/16/78/366521678.db2.gz VBIAANWDLVRDCH-STQMWFEESA-N 1 2 297.399 1.904 20 30 CDEDLO CO[C@H]1CC[N@@H+](CCC#N)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000495282468 366521685 /nfs/dbraw/zinc/52/16/85/366521685.db2.gz VBIAANWDLVRDCH-STQMWFEESA-N 1 2 297.399 1.904 20 30 CDEDLO COC(=O)c1ccc(NC[C@@H](C)Cn2cc[nH+]c2)c(C#N)n1 ZINC000569408281 359241224 /nfs/dbraw/zinc/24/12/24/359241224.db2.gz FPLRFALEBPMTRK-LLVKDONJSA-N 1 2 299.334 1.685 20 30 CDEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc(C#N)cn1 ZINC000569430384 359242152 /nfs/dbraw/zinc/24/21/52/359242152.db2.gz UJABWMWCGSRYHQ-SNVBAGLBSA-N 1 2 269.308 1.661 20 30 CDEDLO C=C1CC[NH+](CC(=O)N(C)c2nccs2)CC1 ZINC000264421556 359310211 /nfs/dbraw/zinc/31/02/11/359310211.db2.gz AAYYDXXZOFMGLV-UHFFFAOYSA-N 1 2 251.355 1.758 20 30 CDEDLO C#Cc1cccc(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)c1 ZINC000264666767 359312962 /nfs/dbraw/zinc/31/29/62/359312962.db2.gz SPZGIBKZKYPYGW-HNNXBMFYSA-N 1 2 286.379 1.035 20 30 CDEDLO C#Cc1cccc(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)c1 ZINC000264666767 359312968 /nfs/dbraw/zinc/31/29/68/359312968.db2.gz SPZGIBKZKYPYGW-HNNXBMFYSA-N 1 2 286.379 1.035 20 30 CDEDLO COc1cc(C[N@@H+]2CC[C@@](F)(CO)C2)ccc1C#N ZINC000338995357 359262255 /nfs/dbraw/zinc/26/22/55/359262255.db2.gz GLHNRGUEXWCLML-AWEZNQCLSA-N 1 2 264.300 1.473 20 30 CDEDLO COc1cc(C[N@H+]2CC[C@@](F)(CO)C2)ccc1C#N ZINC000338995357 359262257 /nfs/dbraw/zinc/26/22/57/359262257.db2.gz GLHNRGUEXWCLML-AWEZNQCLSA-N 1 2 264.300 1.473 20 30 CDEDLO CC#CC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000277566466 359565273 /nfs/dbraw/zinc/56/52/73/359565273.db2.gz XSXYGDFMAZKHHP-UHFFFAOYSA-N 1 2 257.337 1.711 20 30 CDEDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc(C#N)c(O)c1 ZINC000408428515 359768710 /nfs/dbraw/zinc/76/87/10/359768710.db2.gz UXCCNTOKMAXNCI-QWRGUYRKSA-N 1 2 273.336 1.428 20 30 CDEDLO C=C[C@H](CO)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000356870590 366601787 /nfs/dbraw/zinc/60/17/87/366601787.db2.gz GYTMSOYPOPASJI-CQSZACIVSA-N 1 2 271.320 1.208 20 30 CDEDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000496352963 359939153 /nfs/dbraw/zinc/93/91/53/359939153.db2.gz WJUIPOQOQVRBOB-ZDUSSCGKSA-N 1 2 274.324 1.226 20 30 CDEDLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000496352963 359939164 /nfs/dbraw/zinc/93/91/64/359939164.db2.gz WJUIPOQOQVRBOB-ZDUSSCGKSA-N 1 2 274.324 1.226 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)NC(CC)CC)C1=O ZINC000337220904 360035256 /nfs/dbraw/zinc/03/52/56/360035256.db2.gz KWIXGDDVDDSYJT-TZMCWYRMSA-N 1 2 295.427 1.398 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)NC(CC)CC)C1=O ZINC000337220904 360035258 /nfs/dbraw/zinc/03/52/58/360035258.db2.gz KWIXGDDVDDSYJT-TZMCWYRMSA-N 1 2 295.427 1.398 20 30 CDEDLO CC[C@H](C)[N@H+](CC(=O)OC)CC(=O)N(CC)C[C@H](C)C#N ZINC000337257061 360053524 /nfs/dbraw/zinc/05/35/24/360053524.db2.gz UHBVECYSXNEFLC-OLZOCXBDSA-N 1 2 297.399 1.268 20 30 CDEDLO CC[C@H](C)[N@@H+](CC(=O)OC)CC(=O)N(CC)C[C@H](C)C#N ZINC000337257061 360053528 /nfs/dbraw/zinc/05/35/28/360053528.db2.gz UHBVECYSXNEFLC-OLZOCXBDSA-N 1 2 297.399 1.268 20 30 CDEDLO C#CCCCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000155064538 360418808 /nfs/dbraw/zinc/41/88/08/360418808.db2.gz UHEQWMSTMAFOCF-UHFFFAOYSA-N 1 2 286.379 1.717 20 30 CDEDLO N#Cc1cnc(Nc2ccc(N3CCOCC3)[nH+]c2)cn1 ZINC000121079066 360574846 /nfs/dbraw/zinc/57/48/46/360574846.db2.gz QCTLVDJMWJDUBM-UHFFFAOYSA-N 1 2 282.307 1.323 20 30 CDEDLO CC(C)([NH2+]CC(=O)NCC#N)c1cc(C(F)(F)F)on1 ZINC000429248411 360787973 /nfs/dbraw/zinc/78/79/73/360787973.db2.gz VTIMSRRUBVHHGV-UHFFFAOYSA-N 1 2 290.245 1.158 20 30 CDEDLO Cc1nc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)oc1C ZINC000267398721 360781693 /nfs/dbraw/zinc/78/16/93/360781693.db2.gz OZWXPNWFVAOMLE-UHFFFAOYSA-N 1 2 297.362 1.880 20 30 CDEDLO CN(C)c1ccc(C[NH+]2CCN(CC#N)CC2)cc1F ZINC000129927983 360895133 /nfs/dbraw/zinc/89/51/33/360895133.db2.gz HAAWJRGOSFQVGZ-UHFFFAOYSA-N 1 2 276.359 1.533 20 30 CDEDLO CC(C)CO[C@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000563219987 360897124 /nfs/dbraw/zinc/89/71/24/360897124.db2.gz CZKBWFFLZNLMHJ-DGCLKSJQSA-N 1 2 255.362 1.008 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000349743499 360933569 /nfs/dbraw/zinc/93/35/69/360933569.db2.gz LBWJNFBODKGJBB-AWEZNQCLSA-N 1 2 293.330 1.622 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433301197 361229650 /nfs/dbraw/zinc/22/96/50/361229650.db2.gz GQOWCPNOMRBNFB-UHFFFAOYSA-N 1 2 268.361 1.094 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433301197 361229656 /nfs/dbraw/zinc/22/96/56/361229656.db2.gz GQOWCPNOMRBNFB-UHFFFAOYSA-N 1 2 268.361 1.094 20 30 CDEDLO C[N@H+](CCNS(=O)(=O)c1ccccc1)CC(C)(C)C#N ZINC000433306506 361231571 /nfs/dbraw/zinc/23/15/71/361231571.db2.gz SIVNTWOSWDDXTC-UHFFFAOYSA-N 1 2 295.408 1.446 20 30 CDEDLO C[N@@H+](CCNS(=O)(=O)c1ccccc1)CC(C)(C)C#N ZINC000433306506 361231581 /nfs/dbraw/zinc/23/15/81/361231581.db2.gz SIVNTWOSWDDXTC-UHFFFAOYSA-N 1 2 295.408 1.446 20 30 CDEDLO N#CCc1ccc(NC(=O)NCc2ccc(N)[nH+]c2)cc1 ZINC000448543790 361272742 /nfs/dbraw/zinc/27/27/42/361272742.db2.gz TZFNXQOIMYIARQ-UHFFFAOYSA-N 1 2 281.319 1.882 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000267705100 361330633 /nfs/dbraw/zinc/33/06/33/361330633.db2.gz VECFSISFKJJSPM-OAHLLOKOSA-N 1 2 292.310 1.524 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000267705100 361330635 /nfs/dbraw/zinc/33/06/35/361330635.db2.gz VECFSISFKJJSPM-OAHLLOKOSA-N 1 2 292.310 1.524 20 30 CDEDLO COc1cccc([C@H](NC(=O)[C@H](C)C#N)c2[nH+]ccn2C)c1 ZINC000609620057 363773177 /nfs/dbraw/zinc/77/31/77/363773177.db2.gz RDJZDXSUYHVGDV-RISCZKNCSA-N 1 2 298.346 1.794 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000016629220 361436438 /nfs/dbraw/zinc/43/64/38/361436438.db2.gz QCJHLHRDNGNJNJ-LBPRGKRZSA-N 1 2 276.336 1.060 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000016629220 361436441 /nfs/dbraw/zinc/43/64/41/361436441.db2.gz QCJHLHRDNGNJNJ-LBPRGKRZSA-N 1 2 276.336 1.060 20 30 CDEDLO C[C@](O)(CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C1CC1 ZINC000329275804 361465342 /nfs/dbraw/zinc/46/53/42/361465342.db2.gz KBPZCOJHQJHIPP-HOCLYGCPSA-N 1 2 296.411 1.747 20 30 CDEDLO C[C@](O)(CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C1CC1 ZINC000329275804 361465348 /nfs/dbraw/zinc/46/53/48/361465348.db2.gz KBPZCOJHQJHIPP-HOCLYGCPSA-N 1 2 296.411 1.747 20 30 CDEDLO CC[N@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000192082390 361593057 /nfs/dbraw/zinc/59/30/57/361593057.db2.gz VXGJBJWMLPGUCZ-ZDUSSCGKSA-N 1 2 296.367 1.706 20 30 CDEDLO CC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000192082390 361593065 /nfs/dbraw/zinc/59/30/65/361593065.db2.gz VXGJBJWMLPGUCZ-ZDUSSCGKSA-N 1 2 296.367 1.706 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000267744581 361586876 /nfs/dbraw/zinc/58/68/76/361586876.db2.gz ZUPLKSBBZRHIGF-HIFRSBDPSA-N 1 2 288.347 1.477 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CO)C1 ZINC000267744581 361586880 /nfs/dbraw/zinc/58/68/80/361586880.db2.gz ZUPLKSBBZRHIGF-HIFRSBDPSA-N 1 2 288.347 1.477 20 30 CDEDLO COC1(C)CN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000329670552 361698201 /nfs/dbraw/zinc/69/82/01/361698201.db2.gz MXSFXMASTYDKOX-UHFFFAOYSA-N 1 2 274.324 1.909 20 30 CDEDLO N#CCC1(O)C[NH+](CCCCOc2ccccc2)C1 ZINC000351488536 361709956 /nfs/dbraw/zinc/70/99/56/361709956.db2.gz APEPQVYPNSXOIY-UHFFFAOYSA-N 1 2 260.337 1.806 20 30 CDEDLO C[C@@H](CCC#N)[N@@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000497064461 366865320 /nfs/dbraw/zinc/86/53/20/366865320.db2.gz OKGBSGFGEJJGFS-QWHCGFSZSA-N 1 2 297.399 1.904 20 30 CDEDLO C[C@@H](CCC#N)[N@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000497064461 366865325 /nfs/dbraw/zinc/86/53/25/366865325.db2.gz OKGBSGFGEJJGFS-QWHCGFSZSA-N 1 2 297.399 1.904 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000352899022 364608793 /nfs/dbraw/zinc/60/87/93/364608793.db2.gz GNSHLEHOPMKQIV-CYBMUJFWSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000352899022 364608799 /nfs/dbraw/zinc/60/87/99/364608799.db2.gz GNSHLEHOPMKQIV-CYBMUJFWSA-N 1 2 283.416 1.751 20 30 CDEDLO CC#CC[C@@H](CO)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000645532679 364790596 /nfs/dbraw/zinc/79/05/96/364790596.db2.gz FDFLLDVWTCGLHW-AWEZNQCLSA-N 1 2 275.352 1.272 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2scnc2C)nn1 ZINC000641038922 364874267 /nfs/dbraw/zinc/87/42/67/364874267.db2.gz NPQRCFOQPWVKSD-UHFFFAOYSA-N 1 2 261.354 1.204 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C(=O)N(C2CCCCC2)C1=O ZINC000491327550 364966923 /nfs/dbraw/zinc/96/69/23/364966923.db2.gz WJERUGRKHVGVOJ-NSHDSACASA-N 1 2 291.351 1.021 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C(=O)N(C2CCCCC2)C1=O ZINC000491327550 364966933 /nfs/dbraw/zinc/96/69/33/364966933.db2.gz WJERUGRKHVGVOJ-NSHDSACASA-N 1 2 291.351 1.021 20 30 CDEDLO CC(C)(CNC(=O)NCC1(CC#N)CC1)[NH+]1CCOCC1 ZINC000362346722 365340605 /nfs/dbraw/zinc/34/06/05/365340605.db2.gz OJHOGRSOJAQXDX-UHFFFAOYSA-N 1 2 294.399 1.090 20 30 CDEDLO C[C@@H](O)C(=O)N1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000270900477 366942154 /nfs/dbraw/zinc/94/21/54/366942154.db2.gz QZKLEMSWKROXPR-CHWSQXEVSA-N 1 2 287.363 1.144 20 30 CDEDLO C[NH2+]Cc1noc(C2(c3cccc(C#N)c3)CC2)n1 ZINC000414642894 241294779 /nfs/dbraw/zinc/29/47/79/241294779.db2.gz LYDVQPOWNWDAFZ-UHFFFAOYSA-N 1 2 254.293 1.741 20 30 CDEDLO N#C[C@]1(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCOC1 ZINC000358474422 367710157 /nfs/dbraw/zinc/71/01/57/367710157.db2.gz MJMQZRKYRSLNHV-MRXNPFEDSA-N 1 2 296.330 1.344 20 30 CDEDLO CC(C)N1CC[N@H+](CCOc2cccc(C#N)c2)CC1=O ZINC000272630411 367784160 /nfs/dbraw/zinc/78/41/60/367784160.db2.gz WCWDMQRTOJMXKF-UHFFFAOYSA-N 1 2 287.363 1.490 20 30 CDEDLO CC(C)N1CC[N@@H+](CCOc2cccc(C#N)c2)CC1=O ZINC000272630411 367784166 /nfs/dbraw/zinc/78/41/66/367784166.db2.gz WCWDMQRTOJMXKF-UHFFFAOYSA-N 1 2 287.363 1.490 20 30 CDEDLO CN1CC[C@@H](O[NH+]=C(N)c2cccc(Cl)c2)C1=O ZINC000075140140 367897244 /nfs/dbraw/zinc/89/72/44/367897244.db2.gz JAEQGUCVARKRKH-SNVBAGLBSA-N 1 2 267.716 1.208 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000128319323 368396453 /nfs/dbraw/zinc/39/64/53/368396453.db2.gz PCADODHXQCXXJZ-QWRGUYRKSA-N 1 2 293.333 1.246 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000128319323 368396460 /nfs/dbraw/zinc/39/64/60/368396460.db2.gz PCADODHXQCXXJZ-QWRGUYRKSA-N 1 2 293.333 1.246 20 30 CDEDLO CC#CCCNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000361646726 368961141 /nfs/dbraw/zinc/96/11/41/368961141.db2.gz WGXIJODXAVJGGH-AWEZNQCLSA-N 1 2 288.395 1.798 20 30 CDEDLO C#CCN(CC#C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000072907049 369147507 /nfs/dbraw/zinc/14/75/07/369147507.db2.gz ZZJJEQAUGNUAQH-UHFFFAOYSA-N 1 2 263.344 2.000 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(F)cc2F)nn1 ZINC000630599395 369363099 /nfs/dbraw/zinc/36/30/99/369363099.db2.gz LGLQDXSDOULBCL-UHFFFAOYSA-N 1 2 276.290 1.718 20 30 CDEDLO Cc1cc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)no1 ZINC000026324347 370124679 /nfs/dbraw/zinc/12/46/79/370124679.db2.gz WTKFYUPONPRJGF-UHFFFAOYSA-N 1 2 284.319 1.925 20 30 CDEDLO Cc1cc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)no1 ZINC000026324347 370124684 /nfs/dbraw/zinc/12/46/84/370124684.db2.gz WTKFYUPONPRJGF-UHFFFAOYSA-N 1 2 284.319 1.925 20 30 CDEDLO N#CCC(=O)N1CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000564736469 370249565 /nfs/dbraw/zinc/24/95/65/370249565.db2.gz PIFJXACZOUFPSU-GJZGRUSLSA-N 1 2 287.338 1.739 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC#N)CC1CC1 ZINC000568764906 371230983 /nfs/dbraw/zinc/23/09/83/371230983.db2.gz OPTSDPVWYARALZ-NSHDSACASA-N 1 2 260.341 1.741 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC#N)CC1CC1 ZINC000568764906 371230989 /nfs/dbraw/zinc/23/09/89/371230989.db2.gz OPTSDPVWYARALZ-NSHDSACASA-N 1 2 260.341 1.741 20 30 CDEDLO N#CC1(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000569140463 371239250 /nfs/dbraw/zinc/23/92/50/371239250.db2.gz RKDMQICFTRDJTO-UHFFFAOYSA-N 1 2 280.331 1.965 20 30 CDEDLO Cc1cc(NC(=O)NCC2(C#N)CCC2)c(C)c[nH+]1 ZINC000573583023 371590876 /nfs/dbraw/zinc/59/08/76/371590876.db2.gz AMPDFHBOWVGHOW-UHFFFAOYSA-N 1 2 258.325 1.936 20 30 CDEDLO CCSc1nccnc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000577875811 372155406 /nfs/dbraw/zinc/15/54/06/372155406.db2.gz BIZZGCOLKXQJHG-CYBMUJFWSA-N 1 2 293.396 1.162 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](CO)C2)c(C#N)c1C ZINC000050107463 372363497 /nfs/dbraw/zinc/36/34/97/372363497.db2.gz SOWCGMWVMYKCJZ-LBPRGKRZSA-N 1 2 291.351 1.411 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](CO)C2)c(C#N)c1C ZINC000050107463 372363500 /nfs/dbraw/zinc/36/35/00/372363500.db2.gz SOWCGMWVMYKCJZ-LBPRGKRZSA-N 1 2 291.351 1.411 20 30 CDEDLO C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000579184877 372554825 /nfs/dbraw/zinc/55/48/25/372554825.db2.gz JWRUOHVWPIKOBU-IAQYHMDHSA-N 1 2 293.342 1.553 20 30 CDEDLO Cn1cc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)cc1C#N ZINC000335421545 541878297 /nfs/dbraw/zinc/87/82/97/541878297.db2.gz DIUCEORKOKHEGD-AWEZNQCLSA-N 1 2 277.393 1.605 20 30 CDEDLO Cn1cc(C[N@H+]2CCO[C@@]3(CCSC3)C2)cc1C#N ZINC000335421545 541878302 /nfs/dbraw/zinc/87/83/02/541878302.db2.gz DIUCEORKOKHEGD-AWEZNQCLSA-N 1 2 277.393 1.605 20 30 CDEDLO C=C1CC(C)(C(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000630942050 373428316 /nfs/dbraw/zinc/42/83/16/373428316.db2.gz IEGWQUWCLYOSBA-UHFFFAOYSA-N 1 2 288.395 1.421 20 30 CDEDLO Cc1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cn1 ZINC000360981889 374029652 /nfs/dbraw/zinc/02/96/52/374029652.db2.gz FOYXFXWRFOMPAI-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ncn(C)n1 ZINC000361841302 374053693 /nfs/dbraw/zinc/05/36/93/374053693.db2.gz CUBNUZQRFGYYKV-VIFPVBQESA-N 1 2 259.288 1.677 20 30 CDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@H](O)C2)c(C#N)c1C ZINC000351776469 374282971 /nfs/dbraw/zinc/28/29/71/374282971.db2.gz BLGNUKFPTITWAR-GMOODISLSA-N 1 2 291.351 1.408 20 30 CDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@H](O)C2)c(C#N)c1C ZINC000351776469 374282977 /nfs/dbraw/zinc/28/29/77/374282977.db2.gz BLGNUKFPTITWAR-GMOODISLSA-N 1 2 291.351 1.408 20 30 CDEDLO N#CCCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000342626261 374344576 /nfs/dbraw/zinc/34/45/76/374344576.db2.gz AUSMLVLOGHSMDM-UHFFFAOYSA-N 1 2 254.293 1.906 20 30 CDEDLO Cc1nc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)ccc1C#N ZINC000371043491 374407209 /nfs/dbraw/zinc/40/72/09/374407209.db2.gz LSMLQEYALJCOTG-CYBMUJFWSA-N 1 2 295.346 1.625 20 30 CDEDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000334151985 206100577 /nfs/dbraw/zinc/10/05/77/206100577.db2.gz UGYINWBRTMVBPR-CYBMUJFWSA-N 1 2 297.362 1.314 20 30 CDEDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000334151985 206100580 /nfs/dbraw/zinc/10/05/80/206100580.db2.gz UGYINWBRTMVBPR-CYBMUJFWSA-N 1 2 297.362 1.314 20 30 CDEDLO CCOC[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CCO1 ZINC000528725470 374454265 /nfs/dbraw/zinc/45/42/65/374454265.db2.gz YPRBVKHBIBIOAM-JKSUJKDBSA-N 1 2 290.363 1.329 20 30 CDEDLO CCOC[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CCO1 ZINC000528725470 374454270 /nfs/dbraw/zinc/45/42/70/374454270.db2.gz YPRBVKHBIBIOAM-JKSUJKDBSA-N 1 2 290.363 1.329 20 30 CDEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)CC(C)(C)O ZINC000081513507 374511742 /nfs/dbraw/zinc/51/17/42/374511742.db2.gz WDBJDMVNILSCOR-UHFFFAOYSA-N 1 2 296.392 1.035 20 30 CDEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)CC(C)(C)O ZINC000081513507 374511752 /nfs/dbraw/zinc/51/17/52/374511752.db2.gz WDBJDMVNILSCOR-UHFFFAOYSA-N 1 2 296.392 1.035 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@H+](CC)C[C@H](C)C#N ZINC000049000604 375390423 /nfs/dbraw/zinc/39/04/23/375390423.db2.gz VWERUCIHNRWGDG-LLVKDONJSA-N 1 2 268.361 1.094 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@@H+](CC)C[C@H](C)C#N ZINC000049000604 375390428 /nfs/dbraw/zinc/39/04/28/375390428.db2.gz VWERUCIHNRWGDG-LLVKDONJSA-N 1 2 268.361 1.094 20 30 CDEDLO Cc1cc(N2CC(Oc3ccc(C#N)cc3)C2)nc[nH+]1 ZINC000162500072 375367966 /nfs/dbraw/zinc/36/79/66/375367966.db2.gz HPRKXOQFPKHLJI-UHFFFAOYSA-N 1 2 266.304 1.924 20 30 CDEDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000495915567 375536816 /nfs/dbraw/zinc/53/68/16/375536816.db2.gz QIVKIRBRXMUDDM-AWEZNQCLSA-N 1 2 291.326 1.970 20 30 CDEDLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000495915567 375536820 /nfs/dbraw/zinc/53/68/20/375536820.db2.gz QIVKIRBRXMUDDM-AWEZNQCLSA-N 1 2 291.326 1.970 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)c(Cl)c1 ZINC000162919245 375553792 /nfs/dbraw/zinc/55/37/92/375553792.db2.gz TUMUUKZEEHYEEV-GFCCVEGCSA-N 1 2 290.754 1.421 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)c(Cl)c1 ZINC000162919245 375553799 /nfs/dbraw/zinc/55/37/99/375553799.db2.gz TUMUUKZEEHYEEV-GFCCVEGCSA-N 1 2 290.754 1.421 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000135010353 375672691 /nfs/dbraw/zinc/67/26/91/375672691.db2.gz HHPSJKSECCGTHK-CQSZACIVSA-N 1 2 254.374 1.379 20 30 CDEDLO CC#CCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000135217025 375686282 /nfs/dbraw/zinc/68/62/82/375686282.db2.gz OSXXYXUNICDVCF-UHFFFAOYSA-N 1 2 286.310 1.834 20 30 CDEDLO CC(C)c1nc(N2CCC(F)(C#N)CC2)nc(N(C)C)[nH+]1 ZINC000343235743 375820814 /nfs/dbraw/zinc/82/08/14/375820814.db2.gz QZZFABYITJQCMC-UHFFFAOYSA-N 1 2 292.362 1.893 20 30 CDEDLO CC(C)c1nc(N(C)C)nc(N2CCC(F)(C#N)CC2)[nH+]1 ZINC000343235743 375820817 /nfs/dbraw/zinc/82/08/17/375820817.db2.gz QZZFABYITJQCMC-UHFFFAOYSA-N 1 2 292.362 1.893 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000343239549 375817542 /nfs/dbraw/zinc/81/75/42/375817542.db2.gz QRYSCAJWLDNLKM-ZDUSSCGKSA-N 1 2 283.416 1.304 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000343239549 375817548 /nfs/dbraw/zinc/81/75/48/375817548.db2.gz QRYSCAJWLDNLKM-ZDUSSCGKSA-N 1 2 283.416 1.304 20 30 CDEDLO CC1(CNC(=O)NC[C@@H]2CCCn3cc[nH+]c32)COC1 ZINC000328618837 375897641 /nfs/dbraw/zinc/89/76/41/375897641.db2.gz VLOWEOITCHEYEW-NSHDSACASA-N 1 2 278.356 1.301 20 30 CDEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@H]2CCCO2)no1 ZINC000328779169 375968113 /nfs/dbraw/zinc/96/81/13/375968113.db2.gz LYVONWYIHHWNMF-SECBINFHSA-N 1 2 282.344 1.502 20 30 CDEDLO O=C(N[C@H]1CC[C@H](CO)CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000328801198 375975231 /nfs/dbraw/zinc/97/52/31/375975231.db2.gz JAKDTXGTWLQKCU-AVGNSLFASA-N 1 2 277.368 1.953 20 30 CDEDLO Cn1ccnc1C[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000059382834 375932280 /nfs/dbraw/zinc/93/22/80/375932280.db2.gz PAJLZYIJAHPQDT-UHFFFAOYSA-N 1 2 270.336 1.803 20 30 CDEDLO Cn1ccnc1C[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000059382834 375932287 /nfs/dbraw/zinc/93/22/87/375932287.db2.gz PAJLZYIJAHPQDT-UHFFFAOYSA-N 1 2 270.336 1.803 20 30 CDEDLO O=C(NCc1nc2cccnc2[nH]1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328738752 375939092 /nfs/dbraw/zinc/93/90/92/375939092.db2.gz HOYHMUNXQJRAIN-JTQLQIEISA-N 1 2 296.334 1.874 20 30 CDEDLO Cc1ccnc(CN2CC[NH+](CC(=O)NC3CC3)CC2)n1 ZINC000328857053 375988361 /nfs/dbraw/zinc/98/83/61/375988361.db2.gz KKJMIULUSQZVSM-UHFFFAOYSA-N 1 2 289.383 1.022 20 30 CDEDLO C=CC[N@@H+](C[C@@H](CC(C)C)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000419231531 376102883 /nfs/dbraw/zinc/10/28/83/376102883.db2.gz ZYICKZSNGAAOQH-ZIAGYGMSSA-N 1 2 289.441 1.723 20 30 CDEDLO C=CC[N@H+](C[C@@H](CC(C)C)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000419231531 376102887 /nfs/dbraw/zinc/10/28/87/376102887.db2.gz ZYICKZSNGAAOQH-ZIAGYGMSSA-N 1 2 289.441 1.723 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246123097 376395302 /nfs/dbraw/zinc/39/53/02/376395302.db2.gz VRWGISPLABOLOW-WCQYABFASA-N 1 2 293.323 1.568 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246123097 376395306 /nfs/dbraw/zinc/39/53/06/376395306.db2.gz VRWGISPLABOLOW-WCQYABFASA-N 1 2 293.323 1.568 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420933629 376531489 /nfs/dbraw/zinc/53/14/89/376531489.db2.gz HUKCDSZXNMCVSR-ZIAGYGMSSA-N 1 2 296.411 1.047 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420933629 376531493 /nfs/dbraw/zinc/53/14/93/376531493.db2.gz HUKCDSZXNMCVSR-ZIAGYGMSSA-N 1 2 296.411 1.047 20 30 CDEDLO C[N@H+](Cc1ccc(Cl)cc1C#N)C(C)(C)C(N)=O ZINC000295788976 376703501 /nfs/dbraw/zinc/70/35/01/376703501.db2.gz UYBVXTRPBYVNOT-UHFFFAOYSA-N 1 2 265.744 1.907 20 30 CDEDLO C[N@@H+](Cc1ccc(Cl)cc1C#N)C(C)(C)C(N)=O ZINC000295788976 376703504 /nfs/dbraw/zinc/70/35/04/376703504.db2.gz UYBVXTRPBYVNOT-UHFFFAOYSA-N 1 2 265.744 1.907 20 30 CDEDLO C=C(Cl)CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000282792939 378073266 /nfs/dbraw/zinc/07/32/66/378073266.db2.gz PSLWBXAMGOZUCQ-UHFFFAOYSA-N 1 2 294.786 1.661 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccc(N2CCCC2)nc1 ZINC000093461443 378078865 /nfs/dbraw/zinc/07/88/65/378078865.db2.gz SLARZDFXFQNBBP-UHFFFAOYSA-N 1 2 253.349 1.750 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)cc1 ZINC000289700703 378345176 /nfs/dbraw/zinc/34/51/76/378345176.db2.gz NNAWNEYLPFIIBH-AWEZNQCLSA-N 1 2 263.362 1.287 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)cc1 ZINC000289700703 378345179 /nfs/dbraw/zinc/34/51/79/378345179.db2.gz NNAWNEYLPFIIBH-AWEZNQCLSA-N 1 2 263.362 1.287 20 30 CDEDLO C=C[C@H](CO)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000292639244 378504377 /nfs/dbraw/zinc/50/43/77/378504377.db2.gz YAGTWVQDWKFKPW-CYBMUJFWSA-N 1 2 290.367 1.028 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1conc1CC ZINC000293354882 378569157 /nfs/dbraw/zinc/56/91/57/378569157.db2.gz HZOUINJZWVUPDV-UHFFFAOYSA-N 1 2 277.368 1.869 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1conc1CC ZINC000293354882 378569160 /nfs/dbraw/zinc/56/91/60/378569160.db2.gz HZOUINJZWVUPDV-UHFFFAOYSA-N 1 2 277.368 1.869 20 30 CDEDLO C#C[C@@H](NC(=O)NCc1[nH+]ccn1CC)C(C)(C)C ZINC000296587031 378731249 /nfs/dbraw/zinc/73/12/49/378731249.db2.gz KBIHUDMMHZXPBF-LLVKDONJSA-N 1 2 262.357 1.750 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N(C)c1ncc(C#N)cc1Cl ZINC000278839753 194177387 /nfs/dbraw/zinc/17/73/87/194177387.db2.gz KSWRDTRCTMFLKM-LLVKDONJSA-N 1 2 294.786 1.764 20 30 CDEDLO C[C@@H](NC(=O)c1ccc(C#N)s1)[C@@H](C)[NH+]1CCOCC1 ZINC000487306520 252884607 /nfs/dbraw/zinc/88/46/07/252884607.db2.gz OSCYAFPRVBBCDN-GHMZBOCLSA-N 1 2 293.392 1.459 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cccc(OC)n2)C1=O ZINC000281100540 195104318 /nfs/dbraw/zinc/10/43/18/195104318.db2.gz ALGRBMFSAHVCPN-ZDUSSCGKSA-N 1 2 275.352 1.309 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cccc(OC)n2)C1=O ZINC000281100540 195104320 /nfs/dbraw/zinc/10/43/20/195104320.db2.gz ALGRBMFSAHVCPN-ZDUSSCGKSA-N 1 2 275.352 1.309 20 30 CDEDLO C=CCN1CC[C@H](Sc2[nH+]cnc3c2cnn3C)C1=O ZINC000281102794 195105214 /nfs/dbraw/zinc/10/52/14/195105214.db2.gz YIYJKMFGYPMPPP-JTQLQIEISA-N 1 2 289.364 1.242 20 30 CDEDLO CN(CC[NH+]1CCOCC1)C(=O)/C=C\c1cccc(C#N)c1 ZINC000491437268 253082075 /nfs/dbraw/zinc/08/20/75/253082075.db2.gz QTPMSESVWQBQJI-WAYWQWQTSA-N 1 2 299.374 1.362 20 30 CDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)/C=C\c3ccc(C#N)cc3)C[C@H]21 ZINC000492144848 253164428 /nfs/dbraw/zinc/16/44/28/253164428.db2.gz KXHJKFHQKKYCMQ-JTUDCUDASA-N 1 2 297.358 1.113 20 30 CDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)/C=C\c3ccc(C#N)cc3)C[C@H]21 ZINC000492144848 253164430 /nfs/dbraw/zinc/16/44/30/253164430.db2.gz KXHJKFHQKKYCMQ-JTUDCUDASA-N 1 2 297.358 1.113 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc3nc(C)ccc3o2)CC1 ZINC000264102743 533052599 /nfs/dbraw/zinc/05/25/99/533052599.db2.gz AJHWMLCPCKWDAB-UHFFFAOYSA-N 1 2 297.358 1.917 20 30 CDEDLO N#Cc1ccc(Cl)c(C(=O)NCCn2cc[nH+]c2)c1 ZINC000505576742 254089921 /nfs/dbraw/zinc/08/99/21/254089921.db2.gz LDPQRSZMBGCGMG-UHFFFAOYSA-N 1 2 274.711 1.838 20 30 CDEDLO C[N@H+](CC(=O)NC1CC1)Cc1cccc(C#N)c1F ZINC000219513951 390210190 /nfs/dbraw/zinc/21/01/90/390210190.db2.gz QFXOMXJUECADSJ-UHFFFAOYSA-N 1 2 261.300 1.408 20 30 CDEDLO C[N@@H+](CC(=O)NC1CC1)Cc1cccc(C#N)c1F ZINC000219513951 390210193 /nfs/dbraw/zinc/21/01/93/390210193.db2.gz QFXOMXJUECADSJ-UHFFFAOYSA-N 1 2 261.300 1.408 20 30 CDEDLO C[C@@H](CNC(=O)c1ccc(C#N)c(O)c1)Cn1cc[nH+]c1 ZINC000188693034 390665918 /nfs/dbraw/zinc/66/59/18/390665918.db2.gz LIZQGGIEIBDTSH-NSHDSACASA-N 1 2 284.319 1.526 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000151209404 390918114 /nfs/dbraw/zinc/91/81/14/390918114.db2.gz RZSJPRYXKBPYKH-QWHCGFSZSA-N 1 2 297.362 1.056 20 30 CDEDLO COC(=O)c1cccc(OCC(N)=[NH+]OC(C)C)c1 ZINC000127458067 390922921 /nfs/dbraw/zinc/92/29/21/390922921.db2.gz OYJNDYYOJYEQPE-UHFFFAOYSA-N 1 2 266.297 1.549 20 30 CDEDLO C[NH+](C)Cc1ccnc(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000188613343 390971535 /nfs/dbraw/zinc/97/15/35/390971535.db2.gz ZABNOSRIFWILSS-UHFFFAOYSA-N 1 2 296.330 1.973 20 30 CDEDLO C[C@H](NC(=O)N1CCn2cc[nH+]c2C1)c1ccccn1 ZINC000329470620 390994363 /nfs/dbraw/zinc/99/43/63/390994363.db2.gz YJDUPHZKYQRHRP-NSHDSACASA-N 1 2 271.324 1.769 20 30 CDEDLO Cc1noc([C@H](C)[NH+]=C([O-])N[C@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000329547005 391011429 /nfs/dbraw/zinc/01/14/29/391011429.db2.gz HIHPCJQYRSLRDR-CBAPKCEASA-N 1 2 290.327 1.223 20 30 CDEDLO Cc1noc([C@H](C)[NH+]=C([O-])N[C@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000329547005 391011432 /nfs/dbraw/zinc/01/14/32/391011432.db2.gz HIHPCJQYRSLRDR-CBAPKCEASA-N 1 2 290.327 1.223 20 30 CDEDLO C#C[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000185295124 391052653 /nfs/dbraw/zinc/05/26/53/391052653.db2.gz CAYALAWIRYPNAR-HIFRSBDPSA-N 1 2 288.416 1.914 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352462335 391148454 /nfs/dbraw/zinc/14/84/54/391148454.db2.gz CPKUHNOLAMHZTM-ZDUSSCGKSA-N 1 2 279.359 1.903 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373584901 391123853 /nfs/dbraw/zinc/12/38/53/391123853.db2.gz WBJXWTNZBSVXBU-VXGBXAGGSA-N 1 2 260.341 1.454 20 30 CDEDLO C[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)C[C@@]2(CCOC2)O1 ZINC000373795617 391132514 /nfs/dbraw/zinc/13/25/14/391132514.db2.gz FLTDQWWXVMBLTB-MGPQQGTHSA-N 1 2 263.341 1.310 20 30 CDEDLO C[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)C[C@@]2(CCOC2)O1 ZINC000373795617 391132519 /nfs/dbraw/zinc/13/25/19/391132519.db2.gz FLTDQWWXVMBLTB-MGPQQGTHSA-N 1 2 263.341 1.310 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000491453968 391133952 /nfs/dbraw/zinc/13/39/52/391133952.db2.gz UVDQVYCNFQUKFT-STQMWFEESA-N 1 2 274.368 1.721 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000352428714 391135002 /nfs/dbraw/zinc/13/50/02/391135002.db2.gz SCWMJRVXECNNLN-AWEZNQCLSA-N 1 2 267.373 1.153 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000352428714 391135004 /nfs/dbraw/zinc/13/50/04/391135004.db2.gz SCWMJRVXECNNLN-AWEZNQCLSA-N 1 2 267.373 1.153 20 30 CDEDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000265173340 391152328 /nfs/dbraw/zinc/15/23/28/391152328.db2.gz FIDBPVHHQOECQH-CQSZACIVSA-N 1 2 274.320 1.726 20 30 CDEDLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000265173340 391152330 /nfs/dbraw/zinc/15/23/30/391152330.db2.gz FIDBPVHHQOECQH-CQSZACIVSA-N 1 2 274.320 1.726 20 30 CDEDLO COc1coc(C[N@H+](CCC#N)CC2CC2)cc1=O ZINC000268595842 391220316 /nfs/dbraw/zinc/22/03/16/391220316.db2.gz WPLHWNXFVCTYMK-UHFFFAOYSA-N 1 2 262.309 1.774 20 30 CDEDLO COc1coc(C[N@@H+](CCC#N)CC2CC2)cc1=O ZINC000268595842 391220320 /nfs/dbraw/zinc/22/03/20/391220320.db2.gz WPLHWNXFVCTYMK-UHFFFAOYSA-N 1 2 262.309 1.774 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269679027 391254910 /nfs/dbraw/zinc/25/49/10/391254910.db2.gz XUDKAONLICOLGX-ZWNOBZJWSA-N 1 2 263.297 1.862 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269679027 391254913 /nfs/dbraw/zinc/25/49/13/391254913.db2.gz XUDKAONLICOLGX-ZWNOBZJWSA-N 1 2 263.297 1.862 20 30 CDEDLO COC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000122783580 391208260 /nfs/dbraw/zinc/20/82/60/391208260.db2.gz RMXJBYMHLGZWFD-ZDUSSCGKSA-N 1 2 292.335 1.058 20 30 CDEDLO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000122783580 391208262 /nfs/dbraw/zinc/20/82/62/391208262.db2.gz RMXJBYMHLGZWFD-ZDUSSCGKSA-N 1 2 292.335 1.058 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000563935850 391332649 /nfs/dbraw/zinc/33/26/49/391332649.db2.gz HVVZUHZMEJJVHZ-SFYZADRCSA-N 1 2 254.721 1.858 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1Nc1[nH+]cnc(N)c1Cl ZINC000563935850 391332652 /nfs/dbraw/zinc/33/26/52/391332652.db2.gz HVVZUHZMEJJVHZ-SFYZADRCSA-N 1 2 254.721 1.858 20 30 CDEDLO CC#CCN(C)C(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000334483899 391318630 /nfs/dbraw/zinc/31/86/30/391318630.db2.gz YYHVMWFUIRLHIL-UHFFFAOYSA-N 1 2 255.321 1.977 20 30 CDEDLO C=CCOc1ccccc1C[NH+]1CCN(C(=O)NC)CC1 ZINC000354108603 391406893 /nfs/dbraw/zinc/40/68/93/391406893.db2.gz GBHRZSWMWMOXMM-UHFFFAOYSA-N 1 2 289.379 1.708 20 30 CDEDLO C[C@H](C#N)NC(=O)[C@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000346374488 391349866 /nfs/dbraw/zinc/34/98/66/391349866.db2.gz NYYLWTMRJFABDD-UTUOFQBUSA-N 1 2 258.325 1.182 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1cccnc1 ZINC000346413823 391350347 /nfs/dbraw/zinc/35/03/47/391350347.db2.gz OXIFXPKMEUACCP-LBPRGKRZSA-N 1 2 272.352 1.464 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1cccnc1 ZINC000346413823 391350349 /nfs/dbraw/zinc/35/03/49/391350349.db2.gz OXIFXPKMEUACCP-LBPRGKRZSA-N 1 2 272.352 1.464 20 30 CDEDLO C=CC[NH+](CC=C)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000411165971 391401386 /nfs/dbraw/zinc/40/13/86/391401386.db2.gz RCECQERAVBQJTJ-CYBMUJFWSA-N 1 2 260.341 1.199 20 30 CDEDLO C=CCC[C@@H](O)C[NH2+][C@@H](C(=O)OCC)C1CCOCC1 ZINC000348780523 391455810 /nfs/dbraw/zinc/45/58/10/391455810.db2.gz ZUVXZZBWUCQUAJ-ZIAGYGMSSA-N 1 2 285.384 1.261 20 30 CDEDLO CCN(C)C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367068081 391470189 /nfs/dbraw/zinc/47/01/89/391470189.db2.gz VRRRWJPZJRATBN-UHFFFAOYSA-N 1 2 286.379 1.417 20 30 CDEDLO C[C@@H](C#N)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000359120938 391578043 /nfs/dbraw/zinc/57/80/43/391578043.db2.gz HSUYOKDNMNLNAD-NSHDSACASA-N 1 2 254.293 1.648 20 30 CDEDLO C=CCN(CCC#N)C(=O)c1ccc2[nH+]ccn2c1 ZINC000359434320 391595425 /nfs/dbraw/zinc/59/54/25/391595425.db2.gz BQKLYAFIGWMNOM-UHFFFAOYSA-N 1 2 254.293 1.876 20 30 CDEDLO C=CC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000335896338 391612009 /nfs/dbraw/zinc/61/20/09/391612009.db2.gz DZICNUMJJLSWCL-ZDUSSCGKSA-N 1 2 259.353 1.870 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCc3cccc(F)c3C2)C1=O ZINC000281940610 391665572 /nfs/dbraw/zinc/66/55/72/391665572.db2.gz IUSBSTDZBYRSAR-HNNXBMFYSA-N 1 2 274.339 1.971 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCc3cccc(F)c3C2)C1=O ZINC000281940610 391665576 /nfs/dbraw/zinc/66/55/76/391665576.db2.gz IUSBSTDZBYRSAR-HNNXBMFYSA-N 1 2 274.339 1.971 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1cc(F)cc(F)c1 ZINC000519646321 391680885 /nfs/dbraw/zinc/68/08/85/391680885.db2.gz HDFKMKZYIBZQGZ-AWEZNQCLSA-N 1 2 297.305 1.304 20 30 CDEDLO C=CCN(CCOC)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000361091457 391681071 /nfs/dbraw/zinc/68/10/71/391681071.db2.gz PBHSQOQTEPHGGG-UHFFFAOYSA-N 1 2 273.336 1.538 20 30 CDEDLO C=CCOC[C@H]([NH2+]C1CCSCC1)C(=O)OC ZINC000361114201 391683863 /nfs/dbraw/zinc/68/38/63/391683863.db2.gz RLMQHEAKUFMWSV-NSHDSACASA-N 1 2 259.371 1.216 20 30 CDEDLO N#CCCN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)CC1CC1 ZINC000362040530 391708196 /nfs/dbraw/zinc/70/81/96/391708196.db2.gz PQHVLVBQFIULAL-GASCZTMLSA-N 1 2 263.385 1.475 20 30 CDEDLO N#CCCN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)CC1CC1 ZINC000362040530 391708197 /nfs/dbraw/zinc/70/81/97/391708197.db2.gz PQHVLVBQFIULAL-GASCZTMLSA-N 1 2 263.385 1.475 20 30 CDEDLO CCc1csc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000329797490 391780819 /nfs/dbraw/zinc/78/08/19/391780819.db2.gz XEYPIBJJMHQIOV-WDEREUQCSA-N 1 2 296.396 1.266 20 30 CDEDLO CCc1csc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000329797490 391780820 /nfs/dbraw/zinc/78/08/20/391780820.db2.gz XEYPIBJJMHQIOV-WDEREUQCSA-N 1 2 296.396 1.266 20 30 CDEDLO O=C(NCC1CCOCC1)N1CCn2cc[nH+]c2C1 ZINC000329858357 391790169 /nfs/dbraw/zinc/79/01/69/391790169.db2.gz WAFVJTCPYTXJTK-UHFFFAOYSA-N 1 2 264.329 1.039 20 30 CDEDLO C=C(C)c1ccc(OCC[N@@H+]2CCNC(=O)C2)cc1 ZINC000649444518 392222340 /nfs/dbraw/zinc/22/23/40/392222340.db2.gz XTTVZQIGSHMFGQ-UHFFFAOYSA-N 1 2 260.337 1.530 20 30 CDEDLO C=C(C)c1ccc(OCC[N@H+]2CCNC(=O)C2)cc1 ZINC000649444518 392222344 /nfs/dbraw/zinc/22/23/44/392222344.db2.gz XTTVZQIGSHMFGQ-UHFFFAOYSA-N 1 2 260.337 1.530 20 30 CDEDLO CC#CC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000247066994 131100369 /nfs/dbraw/zinc/10/03/69/131100369.db2.gz WNSIEZXCLORPNE-CHWSQXEVSA-N 1 2 265.378 1.896 20 30 CDEDLO CC#CC[N@H+]1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000247066994 131100370 /nfs/dbraw/zinc/10/03/70/131100370.db2.gz WNSIEZXCLORPNE-CHWSQXEVSA-N 1 2 265.378 1.896 20 30 CDEDLO C[C@@H](CNc1nc2c(cc1C#N)CCC2)[NH+]1CCN(C)CC1 ZINC000263910246 131358377 /nfs/dbraw/zinc/35/83/77/131358377.db2.gz KWWISKBJVPEINC-ZDUSSCGKSA-N 1 2 299.422 1.490 20 30 CDEDLO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000459469827 392441609 /nfs/dbraw/zinc/44/16/09/392441609.db2.gz SNONUDZGOJWADH-ZIAGYGMSSA-N 1 2 275.308 1.812 20 30 CDEDLO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000459469827 392441614 /nfs/dbraw/zinc/44/16/14/392441614.db2.gz SNONUDZGOJWADH-ZIAGYGMSSA-N 1 2 275.308 1.812 20 30 CDEDLO O=C(NCC#Cc1cccc(F)c1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649219800 393062204 /nfs/dbraw/zinc/06/22/04/393062204.db2.gz JAQMRDJOEVBTGJ-CQSZACIVSA-N 1 2 297.333 1.753 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2nn[nH]c2C1 ZINC000429317522 393081176 /nfs/dbraw/zinc/08/11/76/393081176.db2.gz LIPGQOGLIDGGRD-JTQLQIEISA-N 1 2 253.309 1.796 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2nn[nH]c2C1 ZINC000429317522 393081180 /nfs/dbraw/zinc/08/11/80/393081180.db2.gz LIPGQOGLIDGGRD-JTQLQIEISA-N 1 2 253.309 1.796 20 30 CDEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000132689172 393133696 /nfs/dbraw/zinc/13/36/96/393133696.db2.gz UCLYHQWTSNWETR-GFCCVEGCSA-N 1 2 297.362 1.715 20 30 CDEDLO C[C@H]1C(=O)NCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000335402643 140605645 /nfs/dbraw/zinc/60/56/45/140605645.db2.gz HHFDRKXZNGFZAH-JTQLQIEISA-N 1 2 277.755 1.922 20 30 CDEDLO C[C@H]1C(=O)NCCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000335402643 140605646 /nfs/dbraw/zinc/60/56/46/140605646.db2.gz HHFDRKXZNGFZAH-JTQLQIEISA-N 1 2 277.755 1.922 20 30 CDEDLO CC(=O)c1ccc(C#N)c(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000651451299 398029168 /nfs/dbraw/zinc/02/91/68/398029168.db2.gz LVXPPHNGTWPOCW-OAHLLOKOSA-N 1 2 285.347 1.016 20 30 CDEDLO CC(=O)c1ccc(C#N)c(N2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000651451299 398029169 /nfs/dbraw/zinc/02/91/69/398029169.db2.gz LVXPPHNGTWPOCW-OAHLLOKOSA-N 1 2 285.347 1.016 20 30 CDEDLO N#Cc1cc(NC(=O)N2CCn3c[nH+]cc3C2)ccn1 ZINC001663858319 1172779107 /nfs/dbraw/zinc/77/91/07/1172779107.db2.gz JBVNEYWENDBZKP-UHFFFAOYSA-N 1 2 268.280 1.197 20 30 CDEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000181350068 148192854 /nfs/dbraw/zinc/19/28/54/148192854.db2.gz ACPBTMNZDUCQGB-LBPRGKRZSA-N 1 2 297.362 1.715 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cccc(C#N)c2)C1 ZINC000335931325 151124309 /nfs/dbraw/zinc/12/43/09/151124309.db2.gz GCCPEURHZXTFQU-AWEZNQCLSA-N 1 2 280.331 1.921 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[S@](=O)CC[C@@H]1C ZINC000370203809 286270772 /nfs/dbraw/zinc/27/07/72/286270772.db2.gz KLRPUSQJJCLTQF-FKIZINRSSA-N 1 2 292.404 1.910 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[S@](=O)CC[C@@H]1C ZINC000370203809 286270773 /nfs/dbraw/zinc/27/07/73/286270773.db2.gz KLRPUSQJJCLTQF-FKIZINRSSA-N 1 2 292.404 1.910 20 30 CDEDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)NC1(C#N)CCC1)CCO2 ZINC000352834313 292325994 /nfs/dbraw/zinc/32/59/94/292325994.db2.gz WSVULCNGQLUGEX-UHFFFAOYSA-N 1 2 299.374 1.752 20 30 CDEDLO Cc1ccc2c(c1)C[N@H+](CC(=O)NC1(C#N)CCC1)CCO2 ZINC000352834313 292325996 /nfs/dbraw/zinc/32/59/96/292325996.db2.gz WSVULCNGQLUGEX-UHFFFAOYSA-N 1 2 299.374 1.752 20 30 CDEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NCc1[nH]cc[nH+]1 ZINC000359652671 158325170 /nfs/dbraw/zinc/32/51/70/158325170.db2.gz PAOZOWLXAKUEIV-UHFFFAOYSA-N 1 2 279.307 1.205 20 30 CDEDLO N#CCCNC(=O)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000040473424 174281055 /nfs/dbraw/zinc/28/10/55/174281055.db2.gz GZRYTRUHFHCVKN-VIFPVBQESA-N 1 2 263.263 1.291 20 30 CDEDLO N#CCCNC(=O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000040473424 174281057 /nfs/dbraw/zinc/28/10/57/174281057.db2.gz GZRYTRUHFHCVKN-VIFPVBQESA-N 1 2 263.263 1.291 20 30 CDEDLO CCC(C#N)(CC)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000044766634 175249267 /nfs/dbraw/zinc/24/92/67/175249267.db2.gz ASMBVDRIIHVSHD-LBPRGKRZSA-N 1 2 267.373 1.153 20 30 CDEDLO Cc1cccn2cc(CNC(=O)[C@@]3(C#N)C[C@H]3C)[nH+]c12 ZINC000334654369 225258308 /nfs/dbraw/zinc/25/83/08/225258308.db2.gz UTTMUDGYTSZEOY-IAQYHMDHSA-N 1 2 268.320 1.809 20 30 CDEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCCCC#N)C1 ZINC000345807758 225634782 /nfs/dbraw/zinc/63/47/82/225634782.db2.gz AVLMHDNXRKCSPL-CYBMUJFWSA-N 1 2 289.383 1.688 20 30 CDEDLO COC[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1ccco1 ZINC000346537759 225834567 /nfs/dbraw/zinc/83/45/67/225834567.db2.gz XKGJOXAZXAFHKE-NWDGAFQWSA-N 1 2 291.351 1.508 20 30 CDEDLO Cn1ccc(CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000329046944 227271375 /nfs/dbraw/zinc/27/13/75/227271375.db2.gz QCMHHDZRWQSTNX-LBPRGKRZSA-N 1 2 288.355 1.784 20 30 CDEDLO [O-]C(N[C@H]1CC[C@H](O)CC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330181703 228057768 /nfs/dbraw/zinc/05/77/68/228057768.db2.gz GUTFDLIWVSGQBI-IJLUTSLNSA-N 1 2 278.356 1.005 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@H]1CC[C@H](O)CC1 ZINC000330181703 228057771 /nfs/dbraw/zinc/05/77/71/228057771.db2.gz GUTFDLIWVSGQBI-IJLUTSLNSA-N 1 2 278.356 1.005 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000490851911 261228209 /nfs/dbraw/zinc/22/82/09/261228209.db2.gz IUWMAACWIHFYDV-QGZVFWFLSA-N 1 2 280.371 1.749 20 30 CDEDLO N#CC1(CS(=O)(=O)N2CCc3c[nH+]ccc32)CC1 ZINC000165870470 261379276 /nfs/dbraw/zinc/37/92/76/261379276.db2.gz ROIQVAZOMWVQFD-UHFFFAOYSA-N 1 2 263.322 1.078 20 30 CDEDLO COCCN(C)c1ccc(C[N@H+](C)[C@H](C)CC#N)cn1 ZINC000191324754 262191327 /nfs/dbraw/zinc/19/13/27/262191327.db2.gz DTDCVMVUVLCCAH-CYBMUJFWSA-N 1 2 276.384 1.898 20 30 CDEDLO COCCN(C)c1ccc(C[N@@H+](C)[C@H](C)CC#N)cn1 ZINC000191324754 262191328 /nfs/dbraw/zinc/19/13/28/262191328.db2.gz DTDCVMVUVLCCAH-CYBMUJFWSA-N 1 2 276.384 1.898 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000336801093 262395217 /nfs/dbraw/zinc/39/52/17/262395217.db2.gz OUCHLSYMGURRQO-UWVGGRQHSA-N 1 2 277.290 1.631 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000336801093 262395219 /nfs/dbraw/zinc/39/52/19/262395219.db2.gz OUCHLSYMGURRQO-UWVGGRQHSA-N 1 2 277.290 1.631 20 30 CDEDLO N#CCCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000274564920 263026348 /nfs/dbraw/zinc/02/63/48/263026348.db2.gz ASXSAOOECQHXKJ-UHFFFAOYSA-N 1 2 287.367 1.213 20 30 CDEDLO CSc1cccc(NC(=O)[C@H](C)O[NH+]=C(N)CCO)c1 ZINC000275543933 263033534 /nfs/dbraw/zinc/03/35/34/263033534.db2.gz SWOBDJAYWWSYSN-VIFPVBQESA-N 1 2 297.380 1.407 20 30 CDEDLO N#CC1CCC(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000282157979 263074627 /nfs/dbraw/zinc/07/46/27/263074627.db2.gz DEFISPPLGUZPLI-UHFFFAOYSA-N 1 2 260.341 1.788 20 30 CDEDLO N#CC1CCC(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000282157979 263074628 /nfs/dbraw/zinc/07/46/28/263074628.db2.gz DEFISPPLGUZPLI-UHFFFAOYSA-N 1 2 260.341 1.788 20 30 CDEDLO NC(=[NH+]OCc1ccc(F)c(F)c1)[C@H]1CCCO1 ZINC000283961429 263084963 /nfs/dbraw/zinc/08/49/63/263084963.db2.gz GBILUEYBWGTKNO-LLVKDONJSA-N 1 2 256.252 1.933 20 30 CDEDLO NC(=[NH+]OCc1nccn1C(F)F)[C@@H]1CCCO1 ZINC000284412262 263086920 /nfs/dbraw/zinc/08/69/20/263086920.db2.gz NSDFJIWBFMUSKF-ZETCQYMHSA-N 1 2 260.244 1.246 20 30 CDEDLO NC(=[NH+]OCc1ccn(-c2ccccc2)n1)[C@H]1CCCO1 ZINC000284484824 263087120 /nfs/dbraw/zinc/08/71/20/263087120.db2.gz SCLMDSAFGQDPMY-CQSZACIVSA-N 1 2 286.335 1.840 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(CC#N)cc1 ZINC000340207757 263094003 /nfs/dbraw/zinc/09/40/03/263094003.db2.gz ZNBBRHLWNJAHLM-UHFFFAOYSA-N 1 2 254.293 1.714 20 30 CDEDLO CN(C)C(=O)CO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000289319563 263109004 /nfs/dbraw/zinc/10/90/04/263109004.db2.gz CCDCWYIJXIQPCG-UHFFFAOYSA-N 1 2 269.732 1.260 20 30 CDEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COc1ccc(F)cc1 ZINC000292102850 263128556 /nfs/dbraw/zinc/12/85/56/263128556.db2.gz GPCGTKLATMTQSX-AWEZNQCLSA-N 1 2 278.327 1.967 20 30 CDEDLO C=CC[N@H+](CCC#N)C[C@H](O)COc1ccc(F)cc1 ZINC000292102850 263128557 /nfs/dbraw/zinc/12/85/57/263128557.db2.gz GPCGTKLATMTQSX-AWEZNQCLSA-N 1 2 278.327 1.967 20 30 CDEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000330733077 264037477 /nfs/dbraw/zinc/03/74/77/264037477.db2.gz JWBVTERPDQRUGQ-QWHCGFSZSA-N 1 2 299.415 1.418 20 30 CDEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000330733077 264037478 /nfs/dbraw/zinc/03/74/78/264037478.db2.gz JWBVTERPDQRUGQ-QWHCGFSZSA-N 1 2 299.415 1.418 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N(C)C[C@@H](O)C(F)(F)F ZINC000330866071 264057923 /nfs/dbraw/zinc/05/79/23/264057923.db2.gz VDMBALWNFDGWFO-RKDXNWHRSA-N 1 2 294.277 1.041 20 30 CDEDLO CC[C@H](C)C[C@H](C)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000330933500 264096612 /nfs/dbraw/zinc/09/66/12/264096612.db2.gz DEHNFSNLASZJIV-RWMBFGLXSA-N 1 2 271.405 1.645 20 30 CDEDLO CC[C@H](C)C[C@H](C)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000330933500 264096615 /nfs/dbraw/zinc/09/66/15/264096615.db2.gz DEHNFSNLASZJIV-RWMBFGLXSA-N 1 2 271.405 1.645 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C1=CCOCC1 ZINC000331071958 264113695 /nfs/dbraw/zinc/11/36/95/264113695.db2.gz UEHMWBTYLBEALT-LLVKDONJSA-N 1 2 254.330 1.010 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)C1=CCOCC1 ZINC000331071958 264113698 /nfs/dbraw/zinc/11/36/98/264113698.db2.gz UEHMWBTYLBEALT-LLVKDONJSA-N 1 2 254.330 1.010 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@@H](CC)C1 ZINC000045752813 423840900 /nfs/dbraw/zinc/84/09/00/423840900.db2.gz GTHYGXSZXQSZCC-ZDUSSCGKSA-N 1 2 254.374 1.522 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@@H](CC)C1 ZINC000045752813 423840915 /nfs/dbraw/zinc/84/09/15/423840915.db2.gz GTHYGXSZXQSZCC-ZDUSSCGKSA-N 1 2 254.374 1.522 20 30 CDEDLO C=CC[N@H+](Cc1ncnn1CCF)[C@H](C)COC ZINC000661241458 424073145 /nfs/dbraw/zinc/07/31/45/424073145.db2.gz YMCHSHHSAHDYMG-LLVKDONJSA-N 1 2 256.325 1.271 20 30 CDEDLO C=CC[N@@H+](Cc1ncnn1CCF)[C@H](C)COC ZINC000661241458 424073154 /nfs/dbraw/zinc/07/31/54/424073154.db2.gz YMCHSHHSAHDYMG-LLVKDONJSA-N 1 2 256.325 1.271 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2cnn(C)c2)nn1 ZINC000653615769 424343766 /nfs/dbraw/zinc/34/37/66/424343766.db2.gz YITGMCNOGBAYME-NSHDSACASA-N 1 2 260.345 1.439 20 30 CDEDLO C=CCOCCNC(=O)NCc1c[nH+]c(C)cc1C ZINC000652511948 424511530 /nfs/dbraw/zinc/51/15/30/424511530.db2.gz CZRFOAZBGXQHGE-UHFFFAOYSA-N 1 2 263.341 1.700 20 30 CDEDLO C=C[C@@H](CO)NC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000356830659 266182857 /nfs/dbraw/zinc/18/28/57/266182857.db2.gz ZXTBSQVPVAJOJB-LBPRGKRZSA-N 1 2 273.336 1.398 20 30 CDEDLO C[C@@H](C#N)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000357814389 266370744 /nfs/dbraw/zinc/37/07/44/266370744.db2.gz FMCGMPHPVSVDBF-ZDUSSCGKSA-N 1 2 282.347 1.750 20 30 CDEDLO C=CCCC(=O)N1CCC[N@@H+](CC(=O)NC(C)C)CC1 ZINC000368886314 267212111 /nfs/dbraw/zinc/21/21/11/267212111.db2.gz XBFJJZFPSZBMHP-UHFFFAOYSA-N 1 2 281.400 1.012 20 30 CDEDLO C=CCCC(=O)N1CCC[N@H+](CC(=O)NC(C)C)CC1 ZINC000368886314 267212115 /nfs/dbraw/zinc/21/21/15/267212115.db2.gz XBFJJZFPSZBMHP-UHFFFAOYSA-N 1 2 281.400 1.012 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCCC[C@H]1C(=O)OC ZINC000371576583 267429132 /nfs/dbraw/zinc/42/91/32/267429132.db2.gz XZLKTUOTURLYAT-AWEZNQCLSA-N 1 2 294.395 1.605 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCCC[C@H]1C(=O)OC ZINC000371576583 267429136 /nfs/dbraw/zinc/42/91/36/267429136.db2.gz XZLKTUOTURLYAT-AWEZNQCLSA-N 1 2 294.395 1.605 20 30 CDEDLO C[N@H+](CCOCC1CC1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000088599634 270232245 /nfs/dbraw/zinc/23/22/45/270232245.db2.gz QEIPSHZXSBXGJZ-OAHLLOKOSA-N 1 2 287.363 1.443 20 30 CDEDLO C[N@@H+](CCOCC1CC1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000088599634 270232246 /nfs/dbraw/zinc/23/22/46/270232246.db2.gz QEIPSHZXSBXGJZ-OAHLLOKOSA-N 1 2 287.363 1.443 20 30 CDEDLO N#Cc1c(F)cccc1C(=O)NCCn1cc[nH+]c1 ZINC000186204830 270261517 /nfs/dbraw/zinc/26/15/17/270261517.db2.gz XUDNYWMOYVMIFU-UHFFFAOYSA-N 1 2 258.256 1.324 20 30 CDEDLO COCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)C1CC1 ZINC000352032554 274024210 /nfs/dbraw/zinc/02/42/10/274024210.db2.gz MJKJEZSOEZFIIQ-UHFFFAOYSA-N 1 2 291.351 1.817 20 30 CDEDLO COCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)C1CC1 ZINC000352032554 274024211 /nfs/dbraw/zinc/02/42/11/274024211.db2.gz MJKJEZSOEZFIIQ-UHFFFAOYSA-N 1 2 291.351 1.817 20 30 CDEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H]2CC[C@@H](C)C2)c1C#N ZINC000540657720 289455996 /nfs/dbraw/zinc/45/59/96/289455996.db2.gz KITIHNDUNPBUCX-GHMZBOCLSA-N 1 2 289.383 1.230 20 30 CDEDLO Cn1ccnc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000555653241 290231983 /nfs/dbraw/zinc/23/19/83/290231983.db2.gz HWSAGRITAATJAT-CYBMUJFWSA-N 1 2 283.335 1.340 20 30 CDEDLO Cn1ccnc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000555653241 290231985 /nfs/dbraw/zinc/23/19/85/290231985.db2.gz HWSAGRITAATJAT-CYBMUJFWSA-N 1 2 283.335 1.340 20 30 CDEDLO CC[N@H+](Cc1cnc2ccc(C#N)cn12)C1COC1 ZINC000562675645 293171916 /nfs/dbraw/zinc/17/19/16/293171916.db2.gz QBUQGHINTWSJFD-UHFFFAOYSA-N 1 2 256.309 1.427 20 30 CDEDLO CC[N@@H+](Cc1cnc2ccc(C#N)cn12)C1COC1 ZINC000562675645 293171918 /nfs/dbraw/zinc/17/19/18/293171918.db2.gz QBUQGHINTWSJFD-UHFFFAOYSA-N 1 2 256.309 1.427 20 30 CDEDLO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000564667783 293391787 /nfs/dbraw/zinc/39/17/87/293391787.db2.gz XBITXJMXTMTYEB-ZDUSSCGKSA-N 1 2 293.392 1.210 20 30 CDEDLO CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000564667783 293391789 /nfs/dbraw/zinc/39/17/89/293391789.db2.gz XBITXJMXTMTYEB-ZDUSSCGKSA-N 1 2 293.392 1.210 20 30 CDEDLO Cc1cc(C#N)nc(N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)n1 ZINC000296285559 301077935 /nfs/dbraw/zinc/07/79/35/301077935.db2.gz LHEJCOFQEKWKTL-LBPRGKRZSA-N 1 2 282.351 1.978 20 30 CDEDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2C)ccc1C#N ZINC000235623255 301385822 /nfs/dbraw/zinc/38/58/22/301385822.db2.gz UQFCRBRTQUUMCG-LBPRGKRZSA-N 1 2 293.392 1.191 20 30 CDEDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2C)ccc1C#N ZINC000235623255 301385825 /nfs/dbraw/zinc/38/58/25/301385825.db2.gz UQFCRBRTQUUMCG-LBPRGKRZSA-N 1 2 293.392 1.191 20 30 CDEDLO C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccsc1 ZINC000563219996 327980088 /nfs/dbraw/zinc/98/00/88/327980088.db2.gz DAFNRDYQMONRAX-GXFFZTMASA-N 1 2 265.382 1.812 20 30 CDEDLO Cn1cc[nH+]c1[C@H](CC(=O)N(CC#N)CC#N)C(F)(F)F ZINC000563375785 328058357 /nfs/dbraw/zinc/05/83/57/328058357.db2.gz FEPYRMXPJRKRAE-VIFPVBQESA-N 1 2 299.256 1.332 20 30 CDEDLO CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1cnn(C)c1 ZINC000161089954 328128739 /nfs/dbraw/zinc/12/87/39/328128739.db2.gz YCXDUYLYCOSAEE-HNNXBMFYSA-N 1 2 291.399 1.296 20 30 CDEDLO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1cnn(C)c1 ZINC000161089954 328128740 /nfs/dbraw/zinc/12/87/40/328128740.db2.gz YCXDUYLYCOSAEE-HNNXBMFYSA-N 1 2 291.399 1.296 20 30 CDEDLO CC(C)Oc1cccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)n1 ZINC000571526443 328131807 /nfs/dbraw/zinc/13/18/07/328131807.db2.gz FSDZILDJCMFMAB-OAHLLOKOSA-N 1 2 290.367 1.442 20 30 CDEDLO NC(COc1ccccc1)=[NH+]OCCC1OCCCO1 ZINC000268374680 328184443 /nfs/dbraw/zinc/18/44/43/328184443.db2.gz VXOMJHZLJGLDPY-UHFFFAOYSA-N 1 2 280.324 1.507 20 30 CDEDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000280854070 328236687 /nfs/dbraw/zinc/23/66/87/328236687.db2.gz YHXWYTHWSSFNQR-LLVKDONJSA-N 1 2 262.309 1.582 20 30 CDEDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000280854070 328236688 /nfs/dbraw/zinc/23/66/88/328236688.db2.gz YHXWYTHWSSFNQR-LLVKDONJSA-N 1 2 262.309 1.582 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000341663229 328413525 /nfs/dbraw/zinc/41/35/25/328413525.db2.gz ZHZSEQHVROTLKI-GFCCVEGCSA-N 1 2 288.351 1.318 20 30 CDEDLO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000583779286 325239012 /nfs/dbraw/zinc/23/90/12/325239012.db2.gz LPSZAIXULCISKI-OAHLLOKOSA-N 1 2 272.352 1.444 20 30 CDEDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000583779286 325239014 /nfs/dbraw/zinc/23/90/14/325239014.db2.gz LPSZAIXULCISKI-OAHLLOKOSA-N 1 2 272.352 1.444 20 30 CDEDLO N#C[C@H]1N(Cc2cc[nH+]c(N)c2)CCC[C@@]12CCCCO2 ZINC000556813084 326967521 /nfs/dbraw/zinc/96/75/21/326967521.db2.gz ZODAXFYNLSBGOX-ZBFHGGJFSA-N 1 2 286.379 1.921 20 30 CDEDLO CCc1cccc(OCC(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000569128650 327037360 /nfs/dbraw/zinc/03/73/60/327037360.db2.gz KEACZHGVFVQNJK-MRXNPFEDSA-N 1 2 289.379 1.588 20 30 CDEDLO Cc1ccc2[nH+]c(CSCC(=O)N(C)CC#N)cn2c1 ZINC000105780418 327242466 /nfs/dbraw/zinc/24/24/66/327242466.db2.gz MWNNZSQNQUWECL-UHFFFAOYSA-N 1 2 288.376 1.858 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COCCc1ccccc1 ZINC000569814655 327549218 /nfs/dbraw/zinc/54/92/18/327549218.db2.gz HZMHMATUTWJPKO-MRXNPFEDSA-N 1 2 289.379 1.206 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000189478753 329381589 /nfs/dbraw/zinc/38/15/89/329381589.db2.gz PUIJTCXDKHFQRX-KKUMJFAQSA-N 1 2 298.427 1.535 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000189478753 329381591 /nfs/dbraw/zinc/38/15/91/329381591.db2.gz PUIJTCXDKHFQRX-KKUMJFAQSA-N 1 2 298.427 1.535 20 30 CDEDLO CNc1nc(N[C@@H]2CC[C@H](C#N)C2)[nH+]c2ccccc21 ZINC000425269442 329653535 /nfs/dbraw/zinc/65/35/35/329653535.db2.gz CDGGYWVMKSTULF-WDEREUQCSA-N 1 2 267.336 1.619 20 30 CDEDLO CN(Cc1cccs1)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000061040415 329680654 /nfs/dbraw/zinc/68/06/54/329680654.db2.gz XSTHYAPARIFHJY-UHFFFAOYSA-N 1 2 277.393 1.942 20 30 CDEDLO CC[C@@H]1C[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)C[C@@H](CC)O1 ZINC000420958132 329791397 /nfs/dbraw/zinc/79/13/97/329791397.db2.gz OXWQFOOTPADNIB-BFHYXJOUSA-N 1 2 293.411 1.827 20 30 CDEDLO C=C(C)CN(C)C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422586429 330149538 /nfs/dbraw/zinc/14/95/38/330149538.db2.gz FSKUSOPBJBMCSA-UHFFFAOYSA-N 1 2 275.352 1.349 20 30 CDEDLO COC(=O)[C@H](CS)Nc1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001167623355 1159166539 /nfs/dbraw/zinc/16/65/39/1159166539.db2.gz LVEMVUQHPYAZIZ-NSHDSACASA-N 1 2 295.339 1.895 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccccc2OC)nn1 ZINC000424168868 330310487 /nfs/dbraw/zinc/31/04/87/330310487.db2.gz GPZYFGFHRHAYJP-UHFFFAOYSA-N 1 2 258.325 1.763 20 30 CDEDLO C=CCn1cc(C[NH2+][C@@H]2CCCc3c2cnn3C)nn1 ZINC000424295826 330335983 /nfs/dbraw/zinc/33/59/83/330335983.db2.gz NOCZJCVZSBDVAE-CYBMUJFWSA-N 1 2 272.356 1.365 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000426354792 330505492 /nfs/dbraw/zinc/50/54/92/330505492.db2.gz VVZBYJDXSVBXOK-CQSZACIVSA-N 1 2 293.411 1.601 20 30 CDEDLO C[C@H]1C[C@@]1(C#N)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000448628591 330744972 /nfs/dbraw/zinc/74/49/72/330744972.db2.gz BMEOXWNRXFODDZ-LRDDRELGSA-N 1 2 284.363 1.848 20 30 CDEDLO COC(=O)c1n[nH]c2c1C[N@H+](CCCSCC#N)CC2 ZINC000451730897 331040389 /nfs/dbraw/zinc/04/03/89/331040389.db2.gz AIECVVXZTWXRDB-UHFFFAOYSA-N 1 2 294.380 1.201 20 30 CDEDLO COC(=O)c1n[nH]c2c1C[N@@H+](CCCSCC#N)CC2 ZINC000451730897 331040390 /nfs/dbraw/zinc/04/03/90/331040390.db2.gz AIECVVXZTWXRDB-UHFFFAOYSA-N 1 2 294.380 1.201 20 30 CDEDLO C=C(C)CCNC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000456116978 331184596 /nfs/dbraw/zinc/18/45/96/331184596.db2.gz FTDSHLVGBNADMY-UONOGXRCSA-N 1 2 268.401 1.958 20 30 CDEDLO C=C(C)CCNC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000456116978 331184597 /nfs/dbraw/zinc/18/45/97/331184597.db2.gz FTDSHLVGBNADMY-UONOGXRCSA-N 1 2 268.401 1.958 20 30 CDEDLO CC[C@@](COC)([NH2+]CCCC(C)(C)C#N)C(=O)OC ZINC000459590538 331289776 /nfs/dbraw/zinc/28/97/76/331289776.db2.gz NIVOTKUXHYEBOW-AWEZNQCLSA-N 1 2 270.373 1.874 20 30 CDEDLO C#CC[NH+]1CCN(Cn2ccc(-c3ccc(F)cc3)n2)CC1 ZINC000490615560 332095631 /nfs/dbraw/zinc/09/56/31/332095631.db2.gz GFLLODGQZFTBGY-UHFFFAOYSA-N 1 2 298.365 1.898 20 30 CDEDLO C#CC[N@@H+](CCCC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000490702047 332106562 /nfs/dbraw/zinc/10/65/62/332106562.db2.gz YYEYANDDCPLJSZ-ZDUSSCGKSA-N 1 2 271.426 1.935 20 30 CDEDLO C#CC[N@H+](CCCC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000490702047 332106564 /nfs/dbraw/zinc/10/65/64/332106564.db2.gz YYEYANDDCPLJSZ-ZDUSSCGKSA-N 1 2 271.426 1.935 20 30 CDEDLO C#CC[N@H+](CC#CC)CCCCCS(=O)(=O)CC ZINC000490740403 332111198 /nfs/dbraw/zinc/11/11/98/332111198.db2.gz LATZMOFBHHONBH-UHFFFAOYSA-N 1 2 269.410 1.550 20 30 CDEDLO C#CC[N@@H+](CC#CC)CCCCCS(=O)(=O)CC ZINC000490740403 332111199 /nfs/dbraw/zinc/11/11/99/332111199.db2.gz LATZMOFBHHONBH-UHFFFAOYSA-N 1 2 269.410 1.550 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(CF)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000490923183 332129684 /nfs/dbraw/zinc/12/96/84/332129684.db2.gz IYKAEOMGQPAQCD-OAHLLOKOSA-N 1 2 295.379 1.778 20 30 CDEDLO C#CC[N@H+](Cc1ccc(CF)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000490923183 332129685 /nfs/dbraw/zinc/12/96/85/332129685.db2.gz IYKAEOMGQPAQCD-OAHLLOKOSA-N 1 2 295.379 1.778 20 30 CDEDLO C#C[C@H](CC)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000491232151 332171335 /nfs/dbraw/zinc/17/13/35/332171335.db2.gz YTKWTPDXYNEQNC-CYBMUJFWSA-N 1 2 286.379 1.761 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@](C)(c2ccccc2C)C1=O ZINC000491288155 332182036 /nfs/dbraw/zinc/18/20/36/332182036.db2.gz QIBAJZPHKVIONJ-SUMWQHHRSA-N 1 2 299.374 1.673 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@](C)(c2ccccc2C)C1=O ZINC000491288155 332182037 /nfs/dbraw/zinc/18/20/37/332182037.db2.gz QIBAJZPHKVIONJ-SUMWQHHRSA-N 1 2 299.374 1.673 20 30 CDEDLO C#CC[N@@H+](CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000491349333 332194433 /nfs/dbraw/zinc/19/44/33/332194433.db2.gz HYVCYQKWCYMUKG-UONOGXRCSA-N 1 2 285.409 1.068 20 30 CDEDLO C#CC[N@H+](CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000491349333 332194435 /nfs/dbraw/zinc/19/44/35/332194435.db2.gz HYVCYQKWCYMUKG-UONOGXRCSA-N 1 2 285.409 1.068 20 30 CDEDLO C#C[C@@H](CC)NC(=O)NCCCCNc1cccc[nH+]1 ZINC000491383193 332201707 /nfs/dbraw/zinc/20/17/07/332201707.db2.gz LDPNQTCJQDBDGY-ZDUSSCGKSA-N 1 2 274.368 1.985 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000491428875 332209973 /nfs/dbraw/zinc/20/99/73/332209973.db2.gz QZWGLCVEBMVUPE-LLVKDONJSA-N 1 2 275.308 1.795 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000491428875 332209974 /nfs/dbraw/zinc/20/99/74/332209974.db2.gz QZWGLCVEBMVUPE-LLVKDONJSA-N 1 2 275.308 1.795 20 30 CDEDLO C#CCN(C(=O)Cc1cn2cccc(C)c2[nH+]1)C1CC1 ZINC000491566916 332239302 /nfs/dbraw/zinc/23/93/02/332239302.db2.gz IUIQJAQFPQSDFI-UHFFFAOYSA-N 1 2 267.332 1.809 20 30 CDEDLO C#CCNC(=O)C1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000491617733 332244459 /nfs/dbraw/zinc/24/44/59/332244459.db2.gz CJHBZTVSPNWXBY-UHFFFAOYSA-N 1 2 298.390 1.628 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@H](c2cccnc2)CC1=O ZINC000491626064 332249831 /nfs/dbraw/zinc/24/98/31/332249831.db2.gz IDCOLDDJOOHRRR-JSGCOSHPSA-N 1 2 257.337 1.309 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@H](c2cccnc2)CC1=O ZINC000491626064 332249832 /nfs/dbraw/zinc/24/98/32/332249832.db2.gz IDCOLDDJOOHRRR-JSGCOSHPSA-N 1 2 257.337 1.309 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@H](O)COc1ccc(Cl)cc1 ZINC000491633129 332254881 /nfs/dbraw/zinc/25/48/81/332254881.db2.gz PMFOCMOJWVLIMR-KBPBESRZSA-N 1 2 295.766 1.414 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1 ZINC000491633129 332254882 /nfs/dbraw/zinc/25/48/82/332254882.db2.gz PMFOCMOJWVLIMR-KBPBESRZSA-N 1 2 295.766 1.414 20 30 CDEDLO C#CC[N@@H+](Cc1ncnn1CC(F)F)C1CCCC1 ZINC000491640077 332260099 /nfs/dbraw/zinc/26/00/99/332260099.db2.gz XTXOIVYENWIAQA-UHFFFAOYSA-N 1 2 268.311 1.921 20 30 CDEDLO C#CC[N@H+](Cc1ncnn1CC(F)F)C1CCCC1 ZINC000491640077 332260100 /nfs/dbraw/zinc/26/01/00/332260100.db2.gz XTXOIVYENWIAQA-UHFFFAOYSA-N 1 2 268.311 1.921 20 30 CDEDLO C#C[C@H](CCC)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000491734730 332315448 /nfs/dbraw/zinc/31/54/48/332315448.db2.gz BWMDDYRWEIERGY-CYBMUJFWSA-N 1 2 270.336 1.935 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccc(C)cn1 ZINC000491749057 332326198 /nfs/dbraw/zinc/32/61/98/332326198.db2.gz PJPHSVDFYZAUDC-CYBMUJFWSA-N 1 2 273.336 1.053 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(C)cn1 ZINC000491749057 332326199 /nfs/dbraw/zinc/32/61/99/332326199.db2.gz PJPHSVDFYZAUDC-CYBMUJFWSA-N 1 2 273.336 1.053 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2CC)CC1 ZINC000491782299 332346310 /nfs/dbraw/zinc/34/63/10/332346310.db2.gz OWEMJACHCLGORR-UHFFFAOYSA-N 1 2 285.391 1.438 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)[C@H](C)N(c2ccccc2)C1=O ZINC000491817875 332368406 /nfs/dbraw/zinc/36/84/06/332368406.db2.gz JRQYJPQBFIDLTR-OLZOCXBDSA-N 1 2 285.347 1.755 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)[C@H](C)N(c2ccccc2)C1=O ZINC000491817875 332368408 /nfs/dbraw/zinc/36/84/08/332368408.db2.gz JRQYJPQBFIDLTR-OLZOCXBDSA-N 1 2 285.347 1.755 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)/C=C/c1[nH+]ccn1CC ZINC000492302114 332391533 /nfs/dbraw/zinc/39/15/33/332391533.db2.gz XORYRPBSDVKTGN-SYTKJHMZSA-N 1 2 260.341 1.924 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)OCCCF ZINC000496555592 332553082 /nfs/dbraw/zinc/55/30/82/332553082.db2.gz YALJLELLXRMPJN-UHFFFAOYSA-N 1 2 287.335 1.030 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CC1CCCCC1 ZINC000566306561 334642053 /nfs/dbraw/zinc/64/20/53/334642053.db2.gz SKRIQBDQJJHRHX-CQSZACIVSA-N 1 2 251.374 1.917 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1noc2ccccc12 ZINC000516945578 333087497 /nfs/dbraw/zinc/08/74/97/333087497.db2.gz RRNKLADKHZMVSJ-HNNXBMFYSA-N 1 2 286.335 1.330 20 30 CDEDLO C#CC[N@@H+](C)Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000192231656 333233183 /nfs/dbraw/zinc/23/31/83/333233183.db2.gz SJBMYZFJLRLPAF-UHFFFAOYSA-N 1 2 285.372 1.974 20 30 CDEDLO C#CC[N@H+](C)Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000192231656 333233185 /nfs/dbraw/zinc/23/31/85/333233185.db2.gz SJBMYZFJLRLPAF-UHFFFAOYSA-N 1 2 285.372 1.974 20 30 CDEDLO C=CCOCC[N@@H+](CC(=O)OC)Cc1ccccc1 ZINC000549770553 334204586 /nfs/dbraw/zinc/20/45/86/334204586.db2.gz MMBCZTBCANNXMY-UHFFFAOYSA-N 1 2 263.337 1.864 20 30 CDEDLO C=CCOCC[N@H+](CC(=O)OC)Cc1ccccc1 ZINC000549770553 334204587 /nfs/dbraw/zinc/20/45/87/334204587.db2.gz MMBCZTBCANNXMY-UHFFFAOYSA-N 1 2 263.337 1.864 20 30 CDEDLO Cc1nscc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000555480767 334479679 /nfs/dbraw/zinc/47/96/79/334479679.db2.gz UHMSOOWESYSYEJ-LLVKDONJSA-N 1 2 252.343 1.025 20 30 CDEDLO Cc1ccc(C)c(OCC(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000555482602 334479707 /nfs/dbraw/zinc/47/97/07/334479707.db2.gz GUCHIXQHWNIAJO-MRXNPFEDSA-N 1 2 289.379 1.642 20 30 CDEDLO N#CC1(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)CCC1 ZINC000577186764 335318805 /nfs/dbraw/zinc/31/88/05/335318805.db2.gz WFOUKYIHVZMTJC-RRFJBIMHSA-N 1 2 278.396 1.932 20 30 CDEDLO N#CC1(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)CCC1 ZINC000577186764 335318806 /nfs/dbraw/zinc/31/88/06/335318806.db2.gz WFOUKYIHVZMTJC-RRFJBIMHSA-N 1 2 278.396 1.932 20 30 CDEDLO CC(C)C#CC(=O)NC[C@H]1CC[N@@H+]1CCC(F)(F)F ZINC001754483081 1159233175 /nfs/dbraw/zinc/23/31/75/1159233175.db2.gz GHVAVXFNIHZQJK-LLVKDONJSA-N 1 2 276.302 1.789 20 30 CDEDLO CC(C)C#CC(=O)NC[C@H]1CC[N@H+]1CCC(F)(F)F ZINC001754483081 1159233178 /nfs/dbraw/zinc/23/31/78/1159233178.db2.gz GHVAVXFNIHZQJK-LLVKDONJSA-N 1 2 276.302 1.789 20 30 CDEDLO C[C@H](C#N)CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000179984643 335538224 /nfs/dbraw/zinc/53/82/24/335538224.db2.gz FSURIDVSLPYSQO-LLVKDONJSA-N 1 2 297.318 1.087 20 30 CDEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC000185676815 335955116 /nfs/dbraw/zinc/95/51/16/335955116.db2.gz GQAYGJNKYFLRGU-RISCZKNCSA-N 1 2 260.341 1.551 20 30 CDEDLO C=CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000673469393 482749022 /nfs/dbraw/zinc/74/90/22/482749022.db2.gz JEPLTJUBJPZZAO-GFCCVEGCSA-N 1 2 278.356 1.364 20 30 CDEDLO C=CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000673469393 482749025 /nfs/dbraw/zinc/74/90/25/482749025.db2.gz JEPLTJUBJPZZAO-GFCCVEGCSA-N 1 2 278.356 1.364 20 30 CDEDLO COCC#CC[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000677822210 482797415 /nfs/dbraw/zinc/79/74/15/482797415.db2.gz QENPZUMYOMSULK-LLVKDONJSA-N 1 2 264.291 1.205 20 30 CDEDLO COCC#CC[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000677822210 482797422 /nfs/dbraw/zinc/79/74/22/482797422.db2.gz QENPZUMYOMSULK-LLVKDONJSA-N 1 2 264.291 1.205 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2nn(C)c3ccccc23)C1=O ZINC000684967475 483042953 /nfs/dbraw/zinc/04/29/53/483042953.db2.gz WVENEYFESVLQNP-MRXNPFEDSA-N 1 2 298.390 1.792 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2nn(C)c3ccccc23)C1=O ZINC000684967475 483042957 /nfs/dbraw/zinc/04/29/57/483042957.db2.gz WVENEYFESVLQNP-MRXNPFEDSA-N 1 2 298.390 1.792 20 30 CDEDLO C=CCOCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000685652144 483202168 /nfs/dbraw/zinc/20/21/68/483202168.db2.gz ONKZRUBQQJTRCW-UHFFFAOYSA-N 1 2 260.297 1.658 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000685707825 483210552 /nfs/dbraw/zinc/21/05/52/483210552.db2.gz ARWFIVWIEALKFY-OCCSQVGLSA-N 1 2 263.341 1.374 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000685707826 483210563 /nfs/dbraw/zinc/21/05/63/483210563.db2.gz ARWFIVWIEALKFY-TZMCWYRMSA-N 1 2 263.341 1.374 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H]1C ZINC000993688155 1161187027 /nfs/dbraw/zinc/18/70/27/1161187027.db2.gz NFUXVLXLXMAEED-ODXJTPSBSA-N 1 2 298.814 1.600 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H]1C ZINC000993688155 1161187029 /nfs/dbraw/zinc/18/70/29/1161187029.db2.gz NFUXVLXLXMAEED-ODXJTPSBSA-N 1 2 298.814 1.600 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2CCC3(CC3)CC2)C1 ZINC001035456906 1161523381 /nfs/dbraw/zinc/52/33/81/1161523381.db2.gz VSVCRTCGAMCUDT-OAHLLOKOSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C2CCC3(CC3)CC2)C1 ZINC001035456906 1161523385 /nfs/dbraw/zinc/52/33/85/1161523385.db2.gz VSVCRTCGAMCUDT-OAHLLOKOSA-N 1 2 292.423 1.960 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2onc(C)c2C)C1 ZINC001035407890 1161522308 /nfs/dbraw/zinc/52/23/08/1161522308.db2.gz MIENWLNDILESHR-CYBMUJFWSA-N 1 2 293.367 1.298 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2onc(C)c2C)C1 ZINC001035407890 1161522314 /nfs/dbraw/zinc/52/23/14/1161522314.db2.gz MIENWLNDILESHR-CYBMUJFWSA-N 1 2 293.367 1.298 20 30 CDEDLO C=CCCOCCCCC(=O)N1CC[NH+](CC#CC)CC1 ZINC001112850890 1162055633 /nfs/dbraw/zinc/05/56/33/1162055633.db2.gz KPKQOCXWRQGQLE-UHFFFAOYSA-N 1 2 292.423 1.917 20 30 CDEDLO C[C@@H]1CN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CCO1 ZINC000329236404 534273118 /nfs/dbraw/zinc/27/31/18/534273118.db2.gz OGCYDRUVSBDODX-VXGBXAGGSA-N 1 2 278.356 1.395 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000373794071 517316181 /nfs/dbraw/zinc/31/61/81/517316181.db2.gz ZIPGGEHVEMEFAG-HOCLYGCPSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000373794071 517316191 /nfs/dbraw/zinc/31/61/91/517316191.db2.gz ZIPGGEHVEMEFAG-HOCLYGCPSA-N 1 2 296.411 1.291 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000061780747 518258967 /nfs/dbraw/zinc/25/89/67/518258967.db2.gz JIMRPPLCQOYSRJ-UHFFFAOYSA-N 1 2 274.320 1.351 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000061780747 518258972 /nfs/dbraw/zinc/25/89/72/518258972.db2.gz JIMRPPLCQOYSRJ-UHFFFAOYSA-N 1 2 274.320 1.351 20 30 CDEDLO C#CC[NH+]1CCN(CN2C(=O)C[C@H]2c2ccccc2)CC1 ZINC000054448186 518272051 /nfs/dbraw/zinc/27/20/51/518272051.db2.gz CNADXVYXRNCQMG-INIZCTEOSA-N 1 2 283.375 1.168 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2csc(C)n2)CC1 ZINC001113254785 1162141318 /nfs/dbraw/zinc/14/13/18/1162141318.db2.gz NNBUTAFVPGZXBY-UHFFFAOYSA-N 1 2 295.408 1.412 20 30 CDEDLO C=CCNC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000061247153 518950157 /nfs/dbraw/zinc/95/01/57/518950157.db2.gz CHCRUVIURZXPPG-UHFFFAOYSA-N 1 2 291.420 1.991 20 30 CDEDLO Cc1cccn2c(=O)cc(C[NH2+][C@@H]3CCC[C@@H]3C#N)nc12 ZINC000332122034 534842336 /nfs/dbraw/zinc/84/23/36/534842336.db2.gz HSTSWXMKYUTDCJ-TZMCWYRMSA-N 1 2 282.347 1.785 20 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/nfs/dbraw/zinc/51/00/72/607510072.db2.gz DYVVTAIUUZMHHS-UHFFFAOYSA-N 1 2 286.339 1.611 20 30 CDEDLO C=CC[C@H]1CCN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000890552855 617206157 /nfs/dbraw/zinc/20/61/57/617206157.db2.gz RTPDTOWHWBNEJN-LBPRGKRZSA-N 1 2 252.358 1.274 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000890652607 617249717 /nfs/dbraw/zinc/24/97/17/617249717.db2.gz UKQBKHYIOBKEAY-CHWSQXEVSA-N 1 2 257.337 1.460 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnc3ccccn32)C1 ZINC000950681783 612992890 /nfs/dbraw/zinc/99/28/90/612992890.db2.gz UDBVTXQIEVZJHI-UHFFFAOYSA-N 1 2 296.374 1.504 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cscn2)C1 ZINC000949776758 612992966 /nfs/dbraw/zinc/99/29/66/612992966.db2.gz XTFYXVYHJCFARV-UHFFFAOYSA-N 1 2 263.366 1.313 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cncs2)C1 ZINC000965398249 613216875 /nfs/dbraw/zinc/21/68/75/613216875.db2.gz XIERVFFBLCPFOI-MNOVXSKESA-N 1 2 263.366 1.217 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cncs2)C1 ZINC000965398249 613216877 /nfs/dbraw/zinc/21/68/77/613216877.db2.gz XIERVFFBLCPFOI-MNOVXSKESA-N 1 2 263.366 1.217 20 30 CDEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc[nH]1 ZINC000948889703 613280150 /nfs/dbraw/zinc/28/01/50/613280150.db2.gz DQGTVAUXRSOOCC-KRWDZBQOSA-N 1 2 293.370 1.977 20 30 CDEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc[nH]1 ZINC000948889703 613280153 /nfs/dbraw/zinc/28/01/53/613280153.db2.gz DQGTVAUXRSOOCC-KRWDZBQOSA-N 1 2 293.370 1.977 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCOC2)C1 ZINC000949779809 613294712 /nfs/dbraw/zinc/29/47/12/613294712.db2.gz DYLXVAXROOUYCW-CYBMUJFWSA-N 1 2 266.385 1.522 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCOCC2)C1 ZINC000949986965 613295391 /nfs/dbraw/zinc/29/53/91/613295391.db2.gz ZDEPAWNYYFNGGQ-AWEZNQCLSA-N 1 2 280.412 1.912 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(Cl)n(C)n2)C1 ZINC000950830099 613296447 /nfs/dbraw/zinc/29/64/47/613296447.db2.gz XMILYKAUODXKHQ-UHFFFAOYSA-N 1 2 296.802 1.796 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)C2(F)CCOCC2)CC1 ZINC000948677027 613315976 /nfs/dbraw/zinc/31/59/76/613315976.db2.gz XYAYVLRVBVSVAK-UHFFFAOYSA-N 1 2 270.348 1.225 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnn(C(C)C)c2)CC1 ZINC000957297967 613321770 /nfs/dbraw/zinc/32/17/70/613321770.db2.gz BOQNOPJHIOIBMK-UHFFFAOYSA-N 1 2 276.384 1.798 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccnn2CC)C1 ZINC000969552303 613371707 /nfs/dbraw/zinc/37/17/07/613371707.db2.gz ULZZVAOOIDYKIV-LLVKDONJSA-N 1 2 296.802 1.706 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccns2)C1 ZINC000969781228 613372338 /nfs/dbraw/zinc/37/23/38/613372338.db2.gz DKJOBBXDQWZXEC-VIFPVBQESA-N 1 2 285.800 1.946 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2c[nH]nc2C)C1 ZINC000967600631 613377478 /nfs/dbraw/zinc/37/74/78/613377478.db2.gz XMKJREIFJYUCII-ZANVPECISA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2c[nH]nc2C)C1 ZINC000967600631 613377479 /nfs/dbraw/zinc/37/74/79/613377479.db2.gz XMKJREIFJYUCII-ZANVPECISA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)CN1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977667500 613379784 /nfs/dbraw/zinc/37/97/84/613379784.db2.gz NDOHAXKFTVAKAF-GFCCVEGCSA-N 1 2 296.802 1.462 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC(=C)Cl)C1 ZINC000970446877 613466589 /nfs/dbraw/zinc/46/65/89/613466589.db2.gz KWMHHSPPDUTWMU-BNOWGMLFSA-N 1 2 298.814 1.767 20 30 CDEDLO C=CCC[NH+]1CC(N(CC)C(=O)c2cncs2)C1 ZINC000949740676 613480992 /nfs/dbraw/zinc/48/09/92/613480992.db2.gz FRNHDSILFIZCFN-UHFFFAOYSA-N 1 2 265.382 1.866 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H](C)n2cccc2)CC1 ZINC000957384521 613562582 /nfs/dbraw/zinc/56/25/82/613562582.db2.gz VAZJUFCSRMOZBR-OAHLLOKOSA-N 1 2 273.380 1.607 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnns2)C(C)(C)C1 ZINC000972824902 613612367 /nfs/dbraw/zinc/61/23/67/613612367.db2.gz LDDPANBVLRCMKH-LLVKDONJSA-N 1 2 278.381 1.002 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnns2)C(C)(C)C1 ZINC000972824902 613612370 /nfs/dbraw/zinc/61/23/70/613612370.db2.gz LDDPANBVLRCMKH-LLVKDONJSA-N 1 2 278.381 1.002 20 30 CDEDLO C=CC[NH+]1CC([C@@H](C)NC(=O)c2[nH]nc3c2CCC3)C1 ZINC000970036556 613667746 /nfs/dbraw/zinc/66/77/46/613667746.db2.gz AYNPWOPQTDZFHU-SNVBAGLBSA-N 1 2 274.368 1.135 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CN2CCCCCCC2=O)CC1 ZINC000948641774 613708268 /nfs/dbraw/zinc/70/82/68/613708268.db2.gz GDUJYIVXLWOFNR-UHFFFAOYSA-N 1 2 293.411 1.109 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2cnn3c2CCCC3)CC1 ZINC000948867231 613710066 /nfs/dbraw/zinc/71/00/66/613710066.db2.gz BWDMYNSMNYHDMY-UHFFFAOYSA-N 1 2 288.395 1.092 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)CC1 ZINC000957857095 613711833 /nfs/dbraw/zinc/71/18/33/613711833.db2.gz WZHAJNLLRPCNPQ-AZOBVAEKSA-N 1 2 260.381 1.609 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@]2(C)CCO[C@@H]2C)CC1 ZINC000949448059 613714093 /nfs/dbraw/zinc/71/40/93/613714093.db2.gz ROGDLSYWOQKVRU-TZMCWYRMSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(N(C)C)nc2)CC1 ZINC000949047003 613716413 /nfs/dbraw/zinc/71/64/13/613716413.db2.gz ZVUMCZLKJYKDMI-UHFFFAOYSA-N 1 2 274.368 1.091 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(OC)cc2C)CC1 ZINC000949983367 613716496 /nfs/dbraw/zinc/71/64/96/613716496.db2.gz WVKGVHNJOYOVPZ-UHFFFAOYSA-N 1 2 274.364 1.947 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc3ccccn23)CC1 ZINC000948996244 613718318 /nfs/dbraw/zinc/71/83/18/613718318.db2.gz PVLPLVMILFJIAO-UHFFFAOYSA-N 1 2 270.336 1.278 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccoc3)C2)C1 ZINC000972258619 613724438 /nfs/dbraw/zinc/72/44/38/613724438.db2.gz GFSBBGGNWJZSHL-HNNXBMFYSA-N 1 2 276.336 1.383 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccoc3)C2)C1 ZINC000972258619 613724440 /nfs/dbraw/zinc/72/44/40/613724440.db2.gz GFSBBGGNWJZSHL-HNNXBMFYSA-N 1 2 276.336 1.383 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](OC)C(C)C)C2)C1 ZINC000972532479 613726323 /nfs/dbraw/zinc/72/63/23/613726323.db2.gz RVQWWEZELHVGGF-GDBMZVCRSA-N 1 2 296.411 1.147 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](OC)C(C)C)C2)C1 ZINC000972532479 613726327 /nfs/dbraw/zinc/72/63/27/613726327.db2.gz RVQWWEZELHVGGF-GDBMZVCRSA-N 1 2 296.411 1.147 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933394239 617414332 /nfs/dbraw/zinc/41/43/32/617414332.db2.gz MDJYTCJABUNTTA-UHFFFAOYSA-N 1 2 275.352 1.420 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933394239 617414336 /nfs/dbraw/zinc/41/43/36/617414336.db2.gz MDJYTCJABUNTTA-UHFFFAOYSA-N 1 2 275.352 1.420 20 30 CDEDLO C=CC[N@@H+]1C[C@H](NC(=O)c2[nH]ncc2F)C(C)(C)C1 ZINC000975021659 613829885 /nfs/dbraw/zinc/82/98/85/613829885.db2.gz WJLBVBWFWCYDSU-JTQLQIEISA-N 1 2 266.320 1.175 20 30 CDEDLO C=CC[N@H+]1C[C@H](NC(=O)c2[nH]ncc2F)C(C)(C)C1 ZINC000975021659 613829887 /nfs/dbraw/zinc/82/98/87/613829887.db2.gz WJLBVBWFWCYDSU-JTQLQIEISA-N 1 2 266.320 1.175 20 30 CDEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H]2CO)c1 ZINC000934015217 617852414 /nfs/dbraw/zinc/85/24/14/617852414.db2.gz SWDNMIYBOOFLLA-LLVKDONJSA-N 1 2 281.153 1.887 20 30 CDEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H]2CO)c1 ZINC000934015217 617852415 /nfs/dbraw/zinc/85/24/15/617852415.db2.gz SWDNMIYBOOFLLA-LLVKDONJSA-N 1 2 281.153 1.887 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCCN(C(N)=O)CC2)cs1 ZINC000891861881 617683348 /nfs/dbraw/zinc/68/33/48/617683348.db2.gz RAVOAXTXAAJJCX-UHFFFAOYSA-N 1 2 264.354 1.206 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCCN(C(N)=O)CC2)cs1 ZINC000891861881 617683357 /nfs/dbraw/zinc/68/33/57/617683357.db2.gz RAVOAXTXAAJJCX-UHFFFAOYSA-N 1 2 264.354 1.206 20 30 CDEDLO N#CCCC[NH2+]Cc1ncc(Br)cc1O ZINC000893513147 618015314 /nfs/dbraw/zinc/01/53/14/618015314.db2.gz AJVLWMCQOYBDJP-UHFFFAOYSA-N 1 2 270.130 1.943 20 30 CDEDLO N#Cc1cc(N2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])s1 ZINC000893906650 618157880 /nfs/dbraw/zinc/15/78/80/618157880.db2.gz CJISHEOHBOJFPX-UHFFFAOYSA-N 1 2 275.293 1.814 20 30 CDEDLO C=CCN(c1cc(N[C@@H](CC)CO)[nH+]cn1)C1CC1 ZINC000893094882 618159128 /nfs/dbraw/zinc/15/91/28/618159128.db2.gz CXWSUTGXKPYURD-NSHDSACASA-N 1 2 262.357 1.814 20 30 CDEDLO C=CCN(c1cc(N[C@@H](CC)CO)nc[nH+]1)C1CC1 ZINC000893094882 618159132 /nfs/dbraw/zinc/15/91/32/618159132.db2.gz CXWSUTGXKPYURD-NSHDSACASA-N 1 2 262.357 1.814 20 30 CDEDLO N#Cc1cnnc(N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000895351692 619595131 /nfs/dbraw/zinc/59/51/31/619595131.db2.gz ZILUHCSSGAOSEQ-UHFFFAOYSA-N 1 2 280.335 1.824 20 30 CDEDLO C#CC1(O)CC[NH+](Cc2cn(-c3ccccc3C)nn2)CC1 ZINC000895385005 619625587 /nfs/dbraw/zinc/62/55/87/619625587.db2.gz XPOXIDAQAGRZAG-UHFFFAOYSA-N 1 2 296.374 1.536 20 30 CDEDLO C=C[C@H](CC)CC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000909526470 619772569 /nfs/dbraw/zinc/77/25/69/619772569.db2.gz YDGVWMJZEDRYBW-CHWSQXEVSA-N 1 2 255.358 1.853 20 30 CDEDLO C=C[C@H](CC)CC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000909526470 619772574 /nfs/dbraw/zinc/77/25/74/619772574.db2.gz YDGVWMJZEDRYBW-CHWSQXEVSA-N 1 2 255.358 1.853 20 30 CDEDLO N#Cc1ccc(N2CCC([NH2+][C@H]3CCOC3=O)CC2)cc1 ZINC000895807141 619854712 /nfs/dbraw/zinc/85/47/12/619854712.db2.gz KUANWJOVQUATMK-HNNXBMFYSA-N 1 2 285.347 1.432 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@](C(=O)OCC)(C(C)C)CC1=O ZINC000795452766 619886345 /nfs/dbraw/zinc/88/63/45/619886345.db2.gz OVLUSLVEAFCVDE-XJKSGUPXSA-N 1 2 294.395 1.335 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@](C(=O)OCC)(C(C)C)CC1=O ZINC000795452766 619886347 /nfs/dbraw/zinc/88/63/47/619886347.db2.gz OVLUSLVEAFCVDE-XJKSGUPXSA-N 1 2 294.395 1.335 20 30 CDEDLO C#Cc1cncc(-c2noc([C@H]3C[N@@H+](C)C[C@@H](C)O3)n2)c1 ZINC000896558159 620146979 /nfs/dbraw/zinc/14/69/79/620146979.db2.gz YNORCYWVFYZDDW-ZWNOBZJWSA-N 1 2 284.319 1.505 20 30 CDEDLO C#Cc1cncc(-c2noc([C@H]3C[N@H+](C)C[C@@H](C)O3)n2)c1 ZINC000896558159 620146980 /nfs/dbraw/zinc/14/69/80/620146980.db2.gz YNORCYWVFYZDDW-ZWNOBZJWSA-N 1 2 284.319 1.505 20 30 CDEDLO C=CCN(CCOC)c1nc(NC)c2ccccc2[nH+]1 ZINC000450479744 620589937 /nfs/dbraw/zinc/58/99/37/620589937.db2.gz QNIJJVBPLKKKLS-UHFFFAOYSA-N 1 2 272.352 1.732 20 30 CDEDLO C=C1C[NH+](C[C@@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000899900424 622516396 /nfs/dbraw/zinc/51/63/96/622516396.db2.gz QAFSCXHEBRPNQD-CQSZACIVSA-N 1 2 276.336 1.257 20 30 CDEDLO CC[C@@H](C#N)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000900471078 623108298 /nfs/dbraw/zinc/10/82/98/623108298.db2.gz GDKFPFHXQVEKSD-JOYOIKCWSA-N 1 2 261.329 1.208 20 30 CDEDLO CC[C@@H](C#N)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000900471078 623108305 /nfs/dbraw/zinc/10/83/05/623108305.db2.gz GDKFPFHXQVEKSD-JOYOIKCWSA-N 1 2 261.329 1.208 20 30 CDEDLO CC(C)[C@@H](C#N)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000900636867 623323546 /nfs/dbraw/zinc/32/35/46/623323546.db2.gz AXBUQQDZOHVTHD-CHWSQXEVSA-N 1 2 275.356 1.454 20 30 CDEDLO CC(C)[C@@H](C#N)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000900636867 623323551 /nfs/dbraw/zinc/32/35/51/623323551.db2.gz AXBUQQDZOHVTHD-CHWSQXEVSA-N 1 2 275.356 1.454 20 30 CDEDLO Cn1cncc1/C=C1\CN(C)C/C(=C\c2c[nH+]cn2C)C1=O ZINC000901418148 624229051 /nfs/dbraw/zinc/22/90/51/624229051.db2.gz YOGLXIKJWMTNQR-QGVJZHQLSA-N 1 2 297.362 1.135 20 30 CDEDLO Cn1c[nH+]cc1CCCn1cc2c(c(C#N)c1=O)CCC2 ZINC000902364507 624729202 /nfs/dbraw/zinc/72/92/02/624729202.db2.gz JILQIGZUARGKNW-UHFFFAOYSA-N 1 2 282.347 1.575 20 30 CDEDLO C#CC[N@@H+](CN1Cc2c(cccc2OC)C1=O)C(C)C ZINC000905749189 626944833 /nfs/dbraw/zinc/94/48/33/626944833.db2.gz OIBWHKLYJZIWTE-UHFFFAOYSA-N 1 2 272.348 1.952 20 30 CDEDLO C#CC[N@H+](CN1Cc2c(cccc2OC)C1=O)C(C)C ZINC000905749189 626944836 /nfs/dbraw/zinc/94/48/36/626944836.db2.gz OIBWHKLYJZIWTE-UHFFFAOYSA-N 1 2 272.348 1.952 20 30 CDEDLO C[Si](C)(C)C#CCCNC(=O)CNc1cccc[nH+]1 ZINC000912330587 629912146 /nfs/dbraw/zinc/91/21/46/629912146.db2.gz QCJCCBADSGMNSV-UHFFFAOYSA-N 1 2 275.428 1.881 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913460221 630489986 /nfs/dbraw/zinc/48/99/86/630489986.db2.gz MYHOJNJZYHFSDO-LBPRGKRZSA-N 1 2 262.357 1.105 20 30 CDEDLO C#CCCCCCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000803514553 630589406 /nfs/dbraw/zinc/58/94/06/630589406.db2.gz HNQZQJJMMWTTRI-JKSUJKDBSA-N 1 2 292.423 1.892 20 30 CDEDLO C#C[C@H]([NH2+][C@H](C)c1cc2n(n1)CCC2)[C@H]1CCCO1 ZINC000840745328 630686330 /nfs/dbraw/zinc/68/63/30/630686330.db2.gz DNQVIOLCLFRHGQ-OSAQELSMSA-N 1 2 259.353 1.661 20 30 CDEDLO C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001021905513 1158787780 /nfs/dbraw/zinc/78/77/80/1158787780.db2.gz STJJDIRBWIBTAD-PHIMTYICSA-N 1 2 282.775 1.629 20 30 CDEDLO CCOC(=O)[C@H](C#N)Nc1cccc(-c2c[nH+]cn2C)c1 ZINC001170371841 1162342371 /nfs/dbraw/zinc/34/23/71/1162342371.db2.gz ZBEDPEHDKGNDHY-ZDUSSCGKSA-N 1 2 284.319 1.954 20 30 CDEDLO CC(C)C#CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nccs3)C[C@H]21 ZINC001114237713 1162458164 /nfs/dbraw/zinc/45/81/64/1162458164.db2.gz RIRJJIHOQWNTOI-JYAVWHMHSA-N 1 2 289.404 1.349 20 30 CDEDLO CC(C)C#CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nccs3)C[C@H]21 ZINC001114237713 1162458166 /nfs/dbraw/zinc/45/81/66/1162458166.db2.gz RIRJJIHOQWNTOI-JYAVWHMHSA-N 1 2 289.404 1.349 20 30 CDEDLO C=C(Br)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000806631692 1162695772 /nfs/dbraw/zinc/69/57/72/1162695772.db2.gz RCSMFWNILUFVNZ-UHFFFAOYSA-N 1 2 258.119 1.367 20 30 CDEDLO C=CC[N@@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1cnn(C)c1 ZINC000808180414 1162819061 /nfs/dbraw/zinc/81/90/61/1162819061.db2.gz KMXRANBIAXUQAG-LBPRGKRZSA-N 1 2 262.357 1.405 20 30 CDEDLO C=CC[N@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1cnn(C)c1 ZINC000808180414 1162819063 /nfs/dbraw/zinc/81/90/63/1162819063.db2.gz KMXRANBIAXUQAG-LBPRGKRZSA-N 1 2 262.357 1.405 20 30 CDEDLO CCOC(=O)c1cnc(NCc2cc[nH+]c(N)c2)c(C#N)c1 ZINC001167617489 1159160526 /nfs/dbraw/zinc/16/05/26/1159160526.db2.gz OQCQYVAXTHHAMS-UHFFFAOYSA-N 1 2 297.318 1.719 20 30 CDEDLO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1scnc1C ZINC001024337937 1159396792 /nfs/dbraw/zinc/39/67/92/1159396792.db2.gz UOYMMPIZMSMJQD-LBPRGKRZSA-N 1 2 277.393 1.669 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1scnc1C ZINC001024337937 1159396798 /nfs/dbraw/zinc/39/67/98/1159396798.db2.gz UOYMMPIZMSMJQD-LBPRGKRZSA-N 1 2 277.393 1.669 20 30 CDEDLO C=C(Br)C[N@@H+](C)C1CCS(=O)CC1 ZINC000126005149 1160173579 /nfs/dbraw/zinc/17/35/79/1160173579.db2.gz XLAZHNJJNOWRJB-UHFFFAOYSA-N 1 2 266.204 1.738 20 30 CDEDLO C=C(Br)C[N@H+](C)C1CCS(=O)CC1 ZINC000126005149 1160173582 /nfs/dbraw/zinc/17/35/82/1160173582.db2.gz XLAZHNJJNOWRJB-UHFFFAOYSA-N 1 2 266.204 1.738 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1CNCC#N ZINC001752830351 1160596700 /nfs/dbraw/zinc/59/67/00/1160596700.db2.gz CIWZVJPNTHVUAE-TZMCWYRMSA-N 1 2 289.383 1.083 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1CNCC#N ZINC001752830351 1160596706 /nfs/dbraw/zinc/59/67/06/1160596706.db2.gz CIWZVJPNTHVUAE-TZMCWYRMSA-N 1 2 289.383 1.083 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC(OC)C2)[C@H]1C ZINC001088645513 1160673162 /nfs/dbraw/zinc/67/31/62/1160673162.db2.gz LWZXIVCMIYJURZ-XVSSEFHLSA-N 1 2 286.803 1.743 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC(OC)C2)[C@H]1C ZINC001088645513 1160673165 /nfs/dbraw/zinc/67/31/65/1160673165.db2.gz LWZXIVCMIYJURZ-XVSSEFHLSA-N 1 2 286.803 1.743 20 30 CDEDLO COc1ccnc(C(=N)Nc2cc3[nH+]c[nH]c3cc2F)n1 ZINC001168428022 1161064157 /nfs/dbraw/zinc/06/41/57/1161064157.db2.gz KISCNORZTGNXFB-UHFFFAOYSA-N 1 2 286.270 1.538 20 30 CDEDLO Cn1cc[nH+]c1CCCOC(=O)COc1ccc(C#N)cc1 ZINC000789792447 1162107370 /nfs/dbraw/zinc/10/73/70/1162107370.db2.gz VGGHPPODUYQFAH-UHFFFAOYSA-N 1 2 299.330 1.847 20 30 CDEDLO C#CCOc1cccc(NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000789974400 1162121225 /nfs/dbraw/zinc/12/12/25/1162121225.db2.gz YYIAZQAIGBURIM-UHFFFAOYSA-N 1 2 269.304 1.993 20 30 CDEDLO C#CCOc1cccc(NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000789974400 1162121228 /nfs/dbraw/zinc/12/12/28/1162121228.db2.gz YYIAZQAIGBURIM-UHFFFAOYSA-N 1 2 269.304 1.993 20 30 CDEDLO COc1cc(C=NNc2[nH+]ccn2C)cc(OC)c1O ZINC000790299806 1162143975 /nfs/dbraw/zinc/14/39/75/1162143975.db2.gz JSIXGBYEXOFWTN-UHFFFAOYSA-N 1 2 276.296 1.589 20 30 CDEDLO C=CCCCC(=O)N1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC001113282078 1162144519 /nfs/dbraw/zinc/14/45/19/1162144519.db2.gz IWRKXJKOQUSMEG-CQSZACIVSA-N 1 2 293.411 1.108 20 30 CDEDLO C#Cc1cccc(NC(=O)CNC(=O)CCc2[nH]cc[nH+]2)c1 ZINC000791206374 1162204233 /nfs/dbraw/zinc/20/42/33/1162204233.db2.gz VHBRUOKKYHDABL-UHFFFAOYSA-N 1 2 296.330 1.079 20 30 CDEDLO C#CCCCC(=O)N1CC[NH2+][C@H](c2cccc(OC)c2)C1 ZINC000870153548 1165143977 /nfs/dbraw/zinc/14/39/77/1165143977.db2.gz VUPQCCAFYAFZJA-INIZCTEOSA-N 1 2 286.375 1.972 20 30 CDEDLO N#CC1CC[NH+](CN2C[C@H]3CCCCN3C2=O)CC1 ZINC000872573944 1165450644 /nfs/dbraw/zinc/45/06/44/1165450644.db2.gz SXXOOFXJFAQIQD-CYBMUJFWSA-N 1 2 262.357 1.470 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1c[nH]nn1 ZINC001575078193 1171105866 /nfs/dbraw/zinc/10/58/66/1171105866.db2.gz HEZWYIHWQNYCSG-RYUDHWBXSA-N 1 2 293.415 1.780 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cn[nH]n1 ZINC001575078193 1171105869 /nfs/dbraw/zinc/10/58/69/1171105869.db2.gz HEZWYIHWQNYCSG-RYUDHWBXSA-N 1 2 293.415 1.780 20 30 CDEDLO Cn1c[nH+]c2cc(Nc3ncncc3C#N)ccc21 ZINC001655191574 1171679189 /nfs/dbraw/zinc/67/91/89/1171679189.db2.gz GGGJVYXBJIFYFF-UHFFFAOYSA-N 1 2 250.265 1.400 20 30 CDEDLO N#CCC1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001592673501 1173962932 /nfs/dbraw/zinc/96/29/32/1173962932.db2.gz GHHVSOLBZFPJKA-UHFFFAOYSA-N 1 2 260.326 1.274 20 30 CDEDLO C=CCOCC[NH+]1CC(NC(=O)[C@@H]2CC[C@H](F)C2)C1 ZINC001753384946 1184524557 /nfs/dbraw/zinc/52/45/57/1184524557.db2.gz DNBQNKKKSCOCMP-NEPJUHHUSA-N 1 2 270.348 1.128 20 30 CDEDLO CCCCC1(C(=O)NCC[NH+]2CCN(CC#N)CC2)CC1 ZINC001752372545 1184854018 /nfs/dbraw/zinc/85/40/18/1184854018.db2.gz FZMAKRMLPALXEZ-UHFFFAOYSA-N 1 2 292.427 1.214 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC(F)(F)F ZINC001752531663 1184876287 /nfs/dbraw/zinc/87/62/87/1184876287.db2.gz CTYMEPOLJVBNLD-PHIMTYICSA-N 1 2 274.286 1.637 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC(F)(F)F ZINC001752531663 1184876291 /nfs/dbraw/zinc/87/62/91/1184876291.db2.gz CTYMEPOLJVBNLD-PHIMTYICSA-N 1 2 274.286 1.637 20 30 CDEDLO C=CCCCC(=O)NC[C@@H]1CC[N@@H+](Cc2cnn(C)n2)C1 ZINC001753133287 1185076858 /nfs/dbraw/zinc/07/68/58/1185076858.db2.gz IIHFFYNTNQWPOO-ZDUSSCGKSA-N 1 2 291.399 1.110 20 30 CDEDLO C=CCCCC(=O)NC[C@@H]1CC[N@H+](Cc2cnn(C)n2)C1 ZINC001753133287 1185076864 /nfs/dbraw/zinc/07/68/64/1185076864.db2.gz IIHFFYNTNQWPOO-ZDUSSCGKSA-N 1 2 291.399 1.110 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)CCc2ccccc2)C1 ZINC001753391914 1185182401 /nfs/dbraw/zinc/18/24/01/1185182401.db2.gz FQSTWGWKIBBYHB-UHFFFAOYSA-N 1 2 256.349 1.443 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)CCC2CCCC2)C1 ZINC001753646759 1185284712 /nfs/dbraw/zinc/28/47/12/1185284712.db2.gz XPBNKOLSGIOTGQ-OAHLLOKOSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)CCC2CCCC2)C1 ZINC001753646759 1185284718 /nfs/dbraw/zinc/28/47/18/1185284718.db2.gz XPBNKOLSGIOTGQ-OAHLLOKOSA-N 1 2 280.412 1.960 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC001754505707 1185648485 /nfs/dbraw/zinc/64/84/85/1185648485.db2.gz RRQBZHGTRPNIOT-NVXWUHKLSA-N 1 2 284.403 1.997 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC001754505707 1185648487 /nfs/dbraw/zinc/64/84/87/1185648487.db2.gz RRQBZHGTRPNIOT-NVXWUHKLSA-N 1 2 284.403 1.997 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)COc2cccc(C)c2)C1 ZINC001754586962 1185676702 /nfs/dbraw/zinc/67/67/02/1185676702.db2.gz XSBXSEBBTHPBSS-UHFFFAOYSA-N 1 2 286.375 1.540 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC2(C[NH+](CCOC)C2)O1 ZINC001755055258 1185801843 /nfs/dbraw/zinc/80/18/43/1185801843.db2.gz FEVYSDPTFFGNFB-ZDUSSCGKSA-N 1 2 296.411 1.195 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1(CCF)CC1)CO2 ZINC001755063517 1185804713 /nfs/dbraw/zinc/80/47/13/1185804713.db2.gz NJUHNCJBBPJQQC-ZDUSSCGKSA-N 1 2 294.370 1.109 20 30 CDEDLO C#CCC[NH+]1CC(CCO)(NC(=O)C[C@H](CC)C(C)C)C1 ZINC001755337662 1185922348 /nfs/dbraw/zinc/92/23/48/1185922348.db2.gz PHUJHJDMJWUSIU-HNNXBMFYSA-N 1 2 294.439 1.635 20 30 CDEDLO C#CCC[NH+]1CC(CCO)(NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001755337663 1185922708 /nfs/dbraw/zinc/92/27/08/1185922708.db2.gz PHUJHJDMJWUSIU-OAHLLOKOSA-N 1 2 294.439 1.635 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1nc(C)no1 ZINC001755588806 1186003658 /nfs/dbraw/zinc/00/36/58/1186003658.db2.gz HDCBHGQJFJTDHB-NSHDSACASA-N 1 2 294.399 1.917 20 30 CDEDLO CC(C)(C#N)C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC001772097119 1187063084 /nfs/dbraw/zinc/06/30/84/1187063084.db2.gz QOEXGUZEPFETKH-CYBMUJFWSA-N 1 2 275.327 1.848 20 30 CDEDLO C=CC[NH+]1CCN(c2nc(C(C)C)nc(N(C)C)n2)CC1 ZINC001165032334 721868298 /nfs/dbraw/zinc/86/82/98/721868298.db2.gz OAHFFFKAPMLPBY-UHFFFAOYSA-N 1 2 290.415 1.369 20 30 CDEDLO CN(C)c1ncc(C=[NH+]O[C@H]2CCCCO2)cn1 ZINC000814888266 783963113 /nfs/dbraw/zinc/96/31/13/783963113.db2.gz UBYOHFNCCFKBFZ-NSHDSACASA-N 1 2 250.302 1.420 20 30 CDEDLO Cc1cc(C#N)cc(NC(=O)Cc2c[nH+]cn2C)c1 ZINC001626380036 1165935751 /nfs/dbraw/zinc/93/57/51/1165935751.db2.gz XKYOVEJFAXAXGN-UHFFFAOYSA-N 1 2 254.293 1.781 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cscc1C ZINC001032337525 783565394 /nfs/dbraw/zinc/56/53/94/783565394.db2.gz DHOOJDIPVFATBB-RYUDHWBXSA-N 1 2 260.362 1.588 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cscc1C ZINC001032337525 783565424 /nfs/dbraw/zinc/56/54/24/783565424.db2.gz DHOOJDIPVFATBB-RYUDHWBXSA-N 1 2 260.362 1.588 20 30 CDEDLO C[C@H](O)CN(C)[NH+]=Cc1cc(F)c(N(C)C)cc1F ZINC000863120854 783652210 /nfs/dbraw/zinc/65/22/10/783652210.db2.gz UBUMKCQCFUYKBH-VIFPVBQESA-N 1 2 271.311 1.677 20 30 CDEDLO CC#CCON=C(N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000166068411 783775781 /nfs/dbraw/zinc/77/57/81/783775781.db2.gz HXQZSGIEEPCLMC-HNNXBMFYSA-N 1 2 287.363 1.200 20 30 CDEDLO CC#CCON=C(N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000166068411 783775792 /nfs/dbraw/zinc/77/57/92/783775792.db2.gz HXQZSGIEEPCLMC-HNNXBMFYSA-N 1 2 287.363 1.200 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)oc1C ZINC001038055780 783849331 /nfs/dbraw/zinc/84/93/31/783849331.db2.gz ZEVAJJKEHYSDEK-ZDUSSCGKSA-N 1 2 260.337 1.724 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)oc1C ZINC001038055780 783849335 /nfs/dbraw/zinc/84/93/35/783849335.db2.gz ZEVAJJKEHYSDEK-ZDUSSCGKSA-N 1 2 260.337 1.724 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1occc1CC ZINC001051100141 783853520 /nfs/dbraw/zinc/85/35/20/783853520.db2.gz PRUAVVGSZSQUEZ-CQSZACIVSA-N 1 2 292.379 1.849 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1occc1CC ZINC001051100141 783853527 /nfs/dbraw/zinc/85/35/27/783853527.db2.gz PRUAVVGSZSQUEZ-CQSZACIVSA-N 1 2 292.379 1.849 20 30 CDEDLO C[C@H](C#N)N(C(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC000855582690 783943998 /nfs/dbraw/zinc/94/39/98/783943998.db2.gz MSYGKVYMLQWQAX-SNVBAGLBSA-N 1 2 254.293 1.851 20 30 CDEDLO C#C[C@H](CCC)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000820641818 784104352 /nfs/dbraw/zinc/10/43/52/784104352.db2.gz XQJFNWYOPUTKST-CABCVRRESA-N 1 2 293.411 1.295 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C2CCCCC2)C1 ZINC000885511889 784108155 /nfs/dbraw/zinc/10/81/55/784108155.db2.gz NWOIGYXHSVBMHX-ZDUSSCGKSA-N 1 2 284.425 1.336 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C2CCCCC2)C1 ZINC000885511889 784108166 /nfs/dbraw/zinc/10/81/66/784108166.db2.gz NWOIGYXHSVBMHX-ZDUSSCGKSA-N 1 2 284.425 1.336 20 30 CDEDLO CC[C@@H](O)CNN=C1CCN(c2cccc[nH+]2)CC1 ZINC000811653579 784199842 /nfs/dbraw/zinc/19/98/42/784199842.db2.gz FMHRMVIMOPMESX-CYBMUJFWSA-N 1 2 262.357 1.398 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cnccc2n1 ZINC001032650147 784271445 /nfs/dbraw/zinc/27/14/45/784271445.db2.gz SKSLTOWRVPNQQG-KBPBESRZSA-N 1 2 292.342 1.162 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cnccc2n1 ZINC001032650147 784271458 /nfs/dbraw/zinc/27/14/58/784271458.db2.gz SKSLTOWRVPNQQG-KBPBESRZSA-N 1 2 292.342 1.162 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2CCO[C@H](CC)C2)C1 ZINC001031217713 784282066 /nfs/dbraw/zinc/28/20/66/784282066.db2.gz OKOICFDZMFURDN-GXTWGEPZSA-N 1 2 266.385 1.568 20 30 CDEDLO C=CCCCS(=O)(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000489818368 784378494 /nfs/dbraw/zinc/37/84/94/784378494.db2.gz NRFCGKKPPNVZGS-CYBMUJFWSA-N 1 2 297.424 1.896 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)c1=S ZINC000159946371 784473918 /nfs/dbraw/zinc/47/39/18/784473918.db2.gz VXZGPLBCVLDFKO-MNOVXSKESA-N 1 2 267.402 1.930 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c1=S ZINC000159946371 784473948 /nfs/dbraw/zinc/47/39/48/784473948.db2.gz VXZGPLBCVLDFKO-MNOVXSKESA-N 1 2 267.402 1.930 20 30 CDEDLO C#CC1CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000825761616 784490532 /nfs/dbraw/zinc/49/05/32/784490532.db2.gz OTQGYFJOAZYXQW-UHFFFAOYSA-N 1 2 286.379 1.938 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000808769015 784501848 /nfs/dbraw/zinc/50/18/48/784501848.db2.gz GKFSNLNOAUWLEZ-LLVKDONJSA-N 1 2 292.832 1.533 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000808769015 784501859 /nfs/dbraw/zinc/50/18/59/784501859.db2.gz GKFSNLNOAUWLEZ-LLVKDONJSA-N 1 2 292.832 1.533 20 30 CDEDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000879767258 784650315 /nfs/dbraw/zinc/65/03/15/784650315.db2.gz VYTAFPFOXUNBPK-UMNHJUIQSA-N 1 2 289.301 1.822 20 30 CDEDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000879767258 784650318 /nfs/dbraw/zinc/65/03/18/784650318.db2.gz VYTAFPFOXUNBPK-UMNHJUIQSA-N 1 2 289.301 1.822 20 30 CDEDLO CC[C@@H](C#N)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000846018426 784703699 /nfs/dbraw/zinc/70/36/99/784703699.db2.gz MKEZUOZJMVGDDY-NWDGAFQWSA-N 1 2 260.341 1.676 20 30 CDEDLO CN(C)c1cc(F)c(C=[NH+]N2CCOCC2)cc1F ZINC000863065809 784710216 /nfs/dbraw/zinc/71/02/16/784710216.db2.gz JTIDLDLNYQPHPY-UHFFFAOYSA-N 1 2 269.295 1.697 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCOc2ccccc21 ZINC001038822013 784736991 /nfs/dbraw/zinc/73/69/91/784736991.db2.gz HTSXSJRUWINMAM-ZFWWWQNUSA-N 1 2 284.359 1.376 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCOc2ccccc21 ZINC001038822013 784737001 /nfs/dbraw/zinc/73/70/01/784737001.db2.gz HTSXSJRUWINMAM-ZFWWWQNUSA-N 1 2 284.359 1.376 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn2ccccc12 ZINC001038498223 784779705 /nfs/dbraw/zinc/77/97/05/784779705.db2.gz SBWZHOQHRKGEEK-CYBMUJFWSA-N 1 2 267.332 1.377 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn2ccccc12 ZINC001038498223 784779712 /nfs/dbraw/zinc/77/97/12/784779712.db2.gz SBWZHOQHRKGEEK-CYBMUJFWSA-N 1 2 267.332 1.377 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccnn2[C@H](C)CC)C1 ZINC001030383472 784824111 /nfs/dbraw/zinc/82/41/11/784824111.db2.gz DTKMNCDLRQNJQY-GFCCVEGCSA-N 1 2 276.384 1.844 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(F)(F)c2ccccc2)C1 ZINC000923581244 784848594 /nfs/dbraw/zinc/84/85/94/784848594.db2.gz BBZBCLIGEWYTDK-AWEZNQCLSA-N 1 2 292.329 1.992 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(F)(F)c2ccccc2)C1 ZINC000923581244 784848599 /nfs/dbraw/zinc/84/85/99/784848599.db2.gz BBZBCLIGEWYTDK-AWEZNQCLSA-N 1 2 292.329 1.992 20 30 CDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC2(F)F)CC1 ZINC001004437105 784944915 /nfs/dbraw/zinc/94/49/15/784944915.db2.gz RPVHWNBVMICNLT-CHWSQXEVSA-N 1 2 297.349 1.868 20 30 CDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC2(F)F)CC1 ZINC001004437105 784944926 /nfs/dbraw/zinc/94/49/26/784944926.db2.gz RPVHWNBVMICNLT-CHWSQXEVSA-N 1 2 297.349 1.868 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001030940385 784981012 /nfs/dbraw/zinc/98/10/12/784981012.db2.gz YNVWBJLDLMJGAP-NSHDSACASA-N 1 2 270.323 1.636 20 30 CDEDLO C=C[C@@H](C)ONC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000845643092 785029877 /nfs/dbraw/zinc/02/98/77/785029877.db2.gz WMDUYXWGYGQKPE-SNVBAGLBSA-N 1 2 264.329 1.805 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000884332961 785060296 /nfs/dbraw/zinc/06/02/96/785060296.db2.gz ZXMZXFJVXKVZDY-HEHGZKQESA-N 1 2 294.395 1.472 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(Cl)c1C ZINC001032458292 785068182 /nfs/dbraw/zinc/06/81/82/785068182.db2.gz IMPUNXMNJCSHBC-RYUDHWBXSA-N 1 2 289.766 1.575 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(Cl)c1C ZINC001032458292 785068195 /nfs/dbraw/zinc/06/81/95/785068195.db2.gz IMPUNXMNJCSHBC-RYUDHWBXSA-N 1 2 289.766 1.575 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCc3ccccc3O2)C1 ZINC001031122112 785340386 /nfs/dbraw/zinc/34/03/86/785340386.db2.gz XMWRHGLNVPUUGG-INIZCTEOSA-N 1 2 286.375 1.757 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCO[C@H]1C ZINC001017508627 785471958 /nfs/dbraw/zinc/47/19/58/785471958.db2.gz FMEAIFXNDTVACZ-BYNSBNAKSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCO[C@H]1C ZINC001017508627 785471982 /nfs/dbraw/zinc/47/19/82/785471982.db2.gz FMEAIFXNDTVACZ-BYNSBNAKSA-N 1 2 276.380 1.110 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c(C)n[nH]c2C)C1 ZINC001015860913 785747744 /nfs/dbraw/zinc/74/77/44/785747744.db2.gz SWEXCKCMGSCQFI-LLVKDONJSA-N 1 2 282.775 1.583 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)n[nH]c2C)C1 ZINC001015860913 785747756 /nfs/dbraw/zinc/74/77/56/785747756.db2.gz SWEXCKCMGSCQFI-LLVKDONJSA-N 1 2 282.775 1.583 20 30 CDEDLO NC(Cc1ccccc1)=[NH+]OCC(=O)NCC1CCC1 ZINC000066468554 785803921 /nfs/dbraw/zinc/80/39/21/785803921.db2.gz MTXYWFYDUSDWGL-UHFFFAOYSA-N 1 2 275.352 1.434 20 30 CDEDLO C=CCN(CCOC)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935620724 785812272 /nfs/dbraw/zinc/81/22/72/785812272.db2.gz QJZBAPQFVUWHIH-UHFFFAOYSA-N 1 2 259.309 1.838 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C=C(C)C)C[C@H]21 ZINC001074155626 785827297 /nfs/dbraw/zinc/82/72/97/785827297.db2.gz XIZIWVINSNROJO-HUUCEWRRSA-N 1 2 278.396 1.830 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C=C(C)C)C[C@H]21 ZINC001074155626 785827298 /nfs/dbraw/zinc/82/72/98/785827298.db2.gz XIZIWVINSNROJO-HUUCEWRRSA-N 1 2 278.396 1.830 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(C2CCCC2)n1 ZINC001038860695 785853570 /nfs/dbraw/zinc/85/35/70/785853570.db2.gz WDWXIVWZGYCRJO-CQSZACIVSA-N 1 2 298.390 1.572 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc(C2CCCC2)n1 ZINC001038860695 785853571 /nfs/dbraw/zinc/85/35/71/785853571.db2.gz WDWXIVWZGYCRJO-CQSZACIVSA-N 1 2 298.390 1.572 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2[nH]nnc2C)C1 ZINC001046531353 785875165 /nfs/dbraw/zinc/87/51/65/785875165.db2.gz NJJRYTBOCXEVTN-LBPRGKRZSA-N 1 2 283.763 1.060 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2[nH]nnc2C)C1 ZINC001046531353 785875166 /nfs/dbraw/zinc/87/51/66/785875166.db2.gz NJJRYTBOCXEVTN-LBPRGKRZSA-N 1 2 283.763 1.060 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1csc([C@@H](C)OC)n1 ZINC001038257151 785937295 /nfs/dbraw/zinc/93/72/95/785937295.db2.gz ZVTCKTQWZHYQIG-MNOVXSKESA-N 1 2 295.408 1.841 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1csc([C@@H](C)OC)n1 ZINC001038257151 785937313 /nfs/dbraw/zinc/93/73/13/785937313.db2.gz ZVTCKTQWZHYQIG-MNOVXSKESA-N 1 2 295.408 1.841 20 30 CDEDLO COc1ccc(C(N)=[NH+]OC2CC(OC)C2)cc1 ZINC000863453993 786022708 /nfs/dbraw/zinc/02/27/08/786022708.db2.gz PHSMBTKRONSQDO-UHFFFAOYSA-N 1 2 250.298 1.510 20 30 CDEDLO CNC(=O)C[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000929258929 786061979 /nfs/dbraw/zinc/06/19/79/786061979.db2.gz KAHXAXYBTWUPHI-UHFFFAOYSA-N 1 2 251.717 1.389 20 30 CDEDLO CNC(=O)C[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000929258929 786061986 /nfs/dbraw/zinc/06/19/86/786061986.db2.gz KAHXAXYBTWUPHI-UHFFFAOYSA-N 1 2 251.717 1.389 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001010469148 786108394 /nfs/dbraw/zinc/10/83/94/786108394.db2.gz HZTCLWDUJFLUBB-WUHRBBMRSA-N 1 2 268.788 1.976 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001010469148 786108401 /nfs/dbraw/zinc/10/84/01/786108401.db2.gz HZTCLWDUJFLUBB-WUHRBBMRSA-N 1 2 268.788 1.976 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[C@@H]1C)CO2 ZINC001053895458 786130803 /nfs/dbraw/zinc/13/08/03/786130803.db2.gz GOHBZZWMWDTXIY-XQQFMLRXSA-N 1 2 264.369 1.178 20 30 CDEDLO COc1ccc(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1C#N ZINC000847599034 786164018 /nfs/dbraw/zinc/16/40/18/786164018.db2.gz QOGPFESKHGDRPE-LLVKDONJSA-N 1 2 298.346 1.785 20 30 CDEDLO COc1ccc(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1C#N ZINC000847599034 786164023 /nfs/dbraw/zinc/16/40/23/786164023.db2.gz QOGPFESKHGDRPE-LLVKDONJSA-N 1 2 298.346 1.785 20 30 CDEDLO COCC[N@H+](CCC#N)C[C@H](O)CC1(C#N)CCC1 ZINC000886030331 786212193 /nfs/dbraw/zinc/21/21/93/786212193.db2.gz JIUAHOUBMCKJCA-CYBMUJFWSA-N 1 2 265.357 1.293 20 30 CDEDLO COCC[N@@H+](CCC#N)C[C@H](O)CC1(C#N)CCC1 ZINC000886030331 786212204 /nfs/dbraw/zinc/21/22/04/786212204.db2.gz JIUAHOUBMCKJCA-CYBMUJFWSA-N 1 2 265.357 1.293 20 30 CDEDLO Cc1noc(C)c1CN1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801931160 786249398 /nfs/dbraw/zinc/24/93/98/786249398.db2.gz REEIAYYQENFMHP-LBPRGKRZSA-N 1 2 292.383 1.338 20 30 CDEDLO COc1cc(C#N)ccc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000823634024 786264263 /nfs/dbraw/zinc/26/42/63/786264263.db2.gz FNLJEKMAPKUYRR-LBPRGKRZSA-N 1 2 296.330 1.508 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928640288 786275717 /nfs/dbraw/zinc/27/57/17/786275717.db2.gz OHBZDKIUFIPHSC-KGLIPLIRSA-N 1 2 284.400 1.195 20 30 CDEDLO N#CCN1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001015424407 786303283 /nfs/dbraw/zinc/30/32/83/786303283.db2.gz BJCCIWFRRJQGBP-CQSZACIVSA-N 1 2 295.346 1.200 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn[nH]c1 ZINC001039338540 786330675 /nfs/dbraw/zinc/33/06/75/786330675.db2.gz HPLUSAQOHPPMPD-OLZOCXBDSA-N 1 2 294.786 1.841 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn[nH]c1 ZINC001039338540 786330678 /nfs/dbraw/zinc/33/06/78/786330678.db2.gz HPLUSAQOHPPMPD-OLZOCXBDSA-N 1 2 294.786 1.841 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(F)ccc(OC)c1F ZINC001038935670 786332739 /nfs/dbraw/zinc/33/27/39/786332739.db2.gz VPWFRGPJRQGXTK-SNVBAGLBSA-N 1 2 294.301 1.411 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(F)ccc(OC)c1F ZINC001038935670 786332747 /nfs/dbraw/zinc/33/27/47/786332747.db2.gz VPWFRGPJRQGXTK-SNVBAGLBSA-N 1 2 294.301 1.411 20 30 CDEDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000879767257 786332979 /nfs/dbraw/zinc/33/29/79/786332979.db2.gz VYTAFPFOXUNBPK-SCVCMEIPSA-N 1 2 289.301 1.822 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2nc(C)ccc2c1 ZINC001038831516 786370000 /nfs/dbraw/zinc/37/00/00/786370000.db2.gz PGDROQLGVUKUNL-INIZCTEOSA-N 1 2 293.370 1.981 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2nc(C)ccc2c1 ZINC001038831516 786370006 /nfs/dbraw/zinc/37/00/06/786370006.db2.gz PGDROQLGVUKUNL-INIZCTEOSA-N 1 2 293.370 1.981 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001038402564 786374927 /nfs/dbraw/zinc/37/49/27/786374927.db2.gz OBWWRPPSCCLTEH-LSDHHAIUSA-N 1 2 260.381 1.947 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001038402564 786374932 /nfs/dbraw/zinc/37/49/32/786374932.db2.gz OBWWRPPSCCLTEH-LSDHHAIUSA-N 1 2 260.381 1.947 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C1 ZINC001031064498 786407862 /nfs/dbraw/zinc/40/78/62/786407862.db2.gz CWKTWLVFQPXWAB-IXDOHACOSA-N 1 2 280.371 1.396 20 30 CDEDLO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ncccn2)cc1 ZINC000853112987 786420135 /nfs/dbraw/zinc/42/01/35/786420135.db2.gz QSXYWEMEIPTOOC-AWEZNQCLSA-N 1 2 298.346 1.072 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)C1CCC1 ZINC001017774592 786488498 /nfs/dbraw/zinc/48/84/98/786488498.db2.gz SYIVSWVZFFHIOM-OWCLPIDISA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)C1CCC1 ZINC001017774592 786488501 /nfs/dbraw/zinc/48/85/01/786488501.db2.gz SYIVSWVZFFHIOM-OWCLPIDISA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccco1 ZINC001032275229 786534393 /nfs/dbraw/zinc/53/43/93/786534393.db2.gz VPBUZMUVGQDVHS-STQMWFEESA-N 1 2 258.321 1.131 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccco1 ZINC001032275229 786534402 /nfs/dbraw/zinc/53/44/02/786534402.db2.gz VPBUZMUVGQDVHS-STQMWFEESA-N 1 2 258.321 1.131 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)cs2)C1 ZINC001035368495 786554618 /nfs/dbraw/zinc/55/46/18/786554618.db2.gz PUPRDPXAQKCSES-LBPRGKRZSA-N 1 2 280.393 1.673 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)cs2)C1 ZINC001035368495 786554646 /nfs/dbraw/zinc/55/46/46/786554646.db2.gz PUPRDPXAQKCSES-LBPRGKRZSA-N 1 2 280.393 1.673 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2ccc(C)nc21 ZINC001038393214 786590314 /nfs/dbraw/zinc/59/03/14/786590314.db2.gz HPQRTDAZEVBZRG-HNNXBMFYSA-N 1 2 293.370 1.981 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2ccc(C)nc21 ZINC001038393214 786590339 /nfs/dbraw/zinc/59/03/39/786590339.db2.gz HPQRTDAZEVBZRG-HNNXBMFYSA-N 1 2 293.370 1.981 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccnc2C(F)F)C1 ZINC001043298711 786677442 /nfs/dbraw/zinc/67/74/42/786677442.db2.gz OHOGJBSPRKMDDF-UHFFFAOYSA-N 1 2 293.317 1.799 20 30 CDEDLO C#CC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC000776609105 786724427 /nfs/dbraw/zinc/72/44/27/786724427.db2.gz JUIODXPSIWVDFW-NWDGAFQWSA-N 1 2 252.358 1.949 20 30 CDEDLO C#CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC000776609105 786724431 /nfs/dbraw/zinc/72/44/31/786724431.db2.gz JUIODXPSIWVDFW-NWDGAFQWSA-N 1 2 252.358 1.949 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccccn2)C1 ZINC001032867959 786735269 /nfs/dbraw/zinc/73/52/69/786735269.db2.gz RXONROKQECCZLM-LBPRGKRZSA-N 1 2 279.771 1.980 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccccn2)C1 ZINC001032867959 786735285 /nfs/dbraw/zinc/73/52/85/786735285.db2.gz RXONROKQECCZLM-LBPRGKRZSA-N 1 2 279.771 1.980 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccc3c(c2)COC3)C1 ZINC001031310140 786788674 /nfs/dbraw/zinc/78/86/74/786788674.db2.gz NEWKBXMWNGJYNZ-UHFFFAOYSA-N 1 2 286.375 1.636 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc[nH]1)CO2 ZINC001053738626 786804524 /nfs/dbraw/zinc/80/45/24/786804524.db2.gz PKCJHYIAIIBVGZ-LBPRGKRZSA-N 1 2 275.352 1.164 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(CCC)on1 ZINC001038860478 786850612 /nfs/dbraw/zinc/85/06/12/786850612.db2.gz DWGXFPOBKZBJSV-NSHDSACASA-N 1 2 261.325 1.064 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(CCC)on1 ZINC001038860478 786850620 /nfs/dbraw/zinc/85/06/20/786850620.db2.gz DWGXFPOBKZBJSV-NSHDSACASA-N 1 2 261.325 1.064 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cncc3nc[nH]c32)CC1 ZINC001052399857 786860657 /nfs/dbraw/zinc/86/06/57/786860657.db2.gz JUCURANNGVNXML-GFCCVEGCSA-N 1 2 297.362 1.175 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cncc3nc[nH]c32)CC1 ZINC001052399857 786860658 /nfs/dbraw/zinc/86/06/58/786860658.db2.gz JUCURANNGVNXML-GFCCVEGCSA-N 1 2 297.362 1.175 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)cn1 ZINC001038935490 786892781 /nfs/dbraw/zinc/89/27/81/786892781.db2.gz UIGFJKIIZSPCAF-NSHDSACASA-N 1 2 263.728 1.172 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)cn1 ZINC001038935490 786892782 /nfs/dbraw/zinc/89/27/82/786892782.db2.gz UIGFJKIIZSPCAF-NSHDSACASA-N 1 2 263.728 1.172 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001032614465 786899173 /nfs/dbraw/zinc/89/91/73/786899173.db2.gz FJAHDRCWSOYUBH-YXWQFLTLSA-N 1 2 258.365 1.485 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001032614465 786899176 /nfs/dbraw/zinc/89/91/76/786899176.db2.gz FJAHDRCWSOYUBH-YXWQFLTLSA-N 1 2 258.365 1.485 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCCO2)C1 ZINC001046235752 787031583 /nfs/dbraw/zinc/03/15/83/787031583.db2.gz KHLWPHUHTUNROZ-JSGCOSHPSA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCCO2)C1 ZINC001046235752 787031589 /nfs/dbraw/zinc/03/15/89/787031589.db2.gz KHLWPHUHTUNROZ-JSGCOSHPSA-N 1 2 286.803 1.889 20 30 CDEDLO C=C[C@H](O)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000816835356 787109508 /nfs/dbraw/zinc/10/95/08/787109508.db2.gz CKVOYQXCPFSDCS-JQWIXIFHSA-N 1 2 295.408 1.860 20 30 CDEDLO C=C[C@H](O)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000816835356 787109528 /nfs/dbraw/zinc/10/95/28/787109528.db2.gz CKVOYQXCPFSDCS-JQWIXIFHSA-N 1 2 295.408 1.860 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c(C)n[nH]c2C)C1 ZINC001035547809 787302718 /nfs/dbraw/zinc/30/27/18/787302718.db2.gz NILVILJOWKHKLA-ZDUSSCGKSA-N 1 2 292.383 1.033 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2c(C)n[nH]c2C)C1 ZINC001035547809 787302729 /nfs/dbraw/zinc/30/27/29/787302729.db2.gz NILVILJOWKHKLA-ZDUSSCGKSA-N 1 2 292.383 1.033 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)CC2=CCOCC2)C1 ZINC001030904456 787304603 /nfs/dbraw/zinc/30/46/03/787304603.db2.gz HVGIZPUJZUUVAM-UHFFFAOYSA-N 1 2 250.342 1.100 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1C=CC=CC=C1)CO2 ZINC001053819921 787314997 /nfs/dbraw/zinc/31/49/97/787314997.db2.gz MVFKQRPILVSVIK-MRXNPFEDSA-N 1 2 298.386 1.268 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1cccc(C#N)c1 ZINC000928636717 787323037 /nfs/dbraw/zinc/32/30/37/787323037.db2.gz PFABRAKRICUGJY-OAHLLOKOSA-N 1 2 287.363 1.399 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2ncoc2C(C)C)C1 ZINC001031206808 787324228 /nfs/dbraw/zinc/32/42/28/787324228.db2.gz ANEQZRWDOMOACA-UHFFFAOYSA-N 1 2 263.341 1.788 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2cc(OC)ccc21 ZINC001038335204 787361789 /nfs/dbraw/zinc/36/17/89/787361789.db2.gz UQSLXVWPITVEEZ-WMLDXEAASA-N 1 2 298.386 1.549 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2cc(OC)ccc21 ZINC001038335204 787361803 /nfs/dbraw/zinc/36/18/03/787361803.db2.gz UQSLXVWPITVEEZ-WMLDXEAASA-N 1 2 298.386 1.549 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1cccc(OC)c1 ZINC001032803648 787515245 /nfs/dbraw/zinc/51/52/45/787515245.db2.gz HQUICEQVVBMWJQ-KBMXLJTQSA-N 1 2 298.386 1.717 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1cccc(OC)c1 ZINC001032803648 787515254 /nfs/dbraw/zinc/51/52/54/787515254.db2.gz HQUICEQVVBMWJQ-KBMXLJTQSA-N 1 2 298.386 1.717 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2CCCCO2)C1 ZINC001042602926 787561291 /nfs/dbraw/zinc/56/12/91/787561291.db2.gz IVKLKUJGBMGTHE-ZDUSSCGKSA-N 1 2 252.358 1.274 20 30 CDEDLO Cc1nc(C#N)c(N=NCc2c[nH+]c3n2CCC3)o1 ZINC000853292968 787701003 /nfs/dbraw/zinc/70/10/03/787701003.db2.gz NJLDJTKOKGDUJD-UHFFFAOYSA-N 1 2 256.269 1.443 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc2c(c1)CCCO2 ZINC000819431342 787830374 /nfs/dbraw/zinc/83/03/74/787830374.db2.gz SEKNILOCNYRHGY-OAHLLOKOSA-N 1 2 289.379 1.630 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc2c(c1)CCCO2 ZINC000819431342 787830376 /nfs/dbraw/zinc/83/03/76/787830376.db2.gz SEKNILOCNYRHGY-OAHLLOKOSA-N 1 2 289.379 1.630 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC001044291826 787853192 /nfs/dbraw/zinc/85/31/92/787853192.db2.gz FWSABIQCEOBNPR-UHFFFAOYSA-N 1 2 287.363 1.218 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccc(C)[nH]c2=O)C1 ZINC001043970839 787864256 /nfs/dbraw/zinc/86/42/56/787864256.db2.gz HFUBEFWQVGHOQW-UHFFFAOYSA-N 1 2 261.325 1.038 20 30 CDEDLO CCc1noc(CC)c1C=C(O)NC1=[NH+]CCS1 ZINC000087005918 788028803 /nfs/dbraw/zinc/02/88/03/788028803.db2.gz XPIBFGUACPUPAF-UHFFFAOYSA-N 1 2 267.354 1.561 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CCC)CCC ZINC000884045529 788039200 /nfs/dbraw/zinc/03/92/00/788039200.db2.gz XGUVBXCQLVYGFF-NSHDSACASA-N 1 2 256.346 1.082 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c1CCOC2 ZINC001032513875 788081647 /nfs/dbraw/zinc/08/16/47/788081647.db2.gz CNRSACQDCHITSC-GJZGRUSLSA-N 1 2 296.370 1.291 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c1CCOC2 ZINC001032513875 788081659 /nfs/dbraw/zinc/08/16/59/788081659.db2.gz CNRSACQDCHITSC-GJZGRUSLSA-N 1 2 296.370 1.291 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(C)c2C)C1 ZINC001035594286 788114457 /nfs/dbraw/zinc/11/44/57/788114457.db2.gz BSTDNUHBHZEUNW-HNNXBMFYSA-N 1 2 288.391 1.920 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cccc(C)c2C)C1 ZINC001035594286 788114476 /nfs/dbraw/zinc/11/44/76/788114476.db2.gz BSTDNUHBHZEUNW-HNNXBMFYSA-N 1 2 288.391 1.920 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001043836415 788229290 /nfs/dbraw/zinc/22/92/90/788229290.db2.gz BQIVCIOCVQPTAY-UHFFFAOYSA-N 1 2 282.294 1.127 20 30 CDEDLO Cc1cc(C)c(C(=O)NC[C@H]2CCCN2CC#N)c(C)[nH+]1 ZINC001028037701 788310508 /nfs/dbraw/zinc/31/05/08/788310508.db2.gz DSDMPPSPODBYAT-CQSZACIVSA-N 1 2 286.379 1.725 20 30 CDEDLO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001027418557 788324750 /nfs/dbraw/zinc/32/47/50/788324750.db2.gz AIAGKHQIZXGZGT-NXEZZACHSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001027418557 788324761 /nfs/dbraw/zinc/32/47/61/788324761.db2.gz AIAGKHQIZXGZGT-NXEZZACHSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001027418557 788324772 /nfs/dbraw/zinc/32/47/72/788324772.db2.gz AIAGKHQIZXGZGT-NXEZZACHSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001027418557 788324781 /nfs/dbraw/zinc/32/47/81/788324781.db2.gz AIAGKHQIZXGZGT-NXEZZACHSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(-c3ccco3)on2)C1 ZINC001043498261 788387750 /nfs/dbraw/zinc/38/77/50/788387750.db2.gz SBWYMOIJQZTNEP-UHFFFAOYSA-N 1 2 299.330 1.714 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874888622 788426826 /nfs/dbraw/zinc/42/68/26/788426826.db2.gz FSGIJBAZJNSZHR-WFASDCNBSA-N 1 2 290.338 1.337 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3ccccc3n2)C1 ZINC001030443549 788645572 /nfs/dbraw/zinc/64/55/72/788645572.db2.gz OIBLSWBHSGKHGJ-UHFFFAOYSA-N 1 2 280.331 1.067 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccnn2C(C)C)C1 ZINC001035384477 788708310 /nfs/dbraw/zinc/70/83/10/788708310.db2.gz MHIUVORYGMGXNW-CYBMUJFWSA-N 1 2 292.383 1.081 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccnn2C(C)C)C1 ZINC001035384477 788708334 /nfs/dbraw/zinc/70/83/34/788708334.db2.gz MHIUVORYGMGXNW-CYBMUJFWSA-N 1 2 292.383 1.081 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)C)nn1C ZINC001038866894 788812481 /nfs/dbraw/zinc/81/24/81/788812481.db2.gz YTEOIFBLRNGXGR-CYBMUJFWSA-N 1 2 288.395 1.371 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)C)nn1C ZINC001038866894 788812482 /nfs/dbraw/zinc/81/24/82/788812482.db2.gz YTEOIFBLRNGXGR-CYBMUJFWSA-N 1 2 288.395 1.371 20 30 CDEDLO N#C[C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000928217900 788827605 /nfs/dbraw/zinc/82/76/05/788827605.db2.gz VJNRGYNXGUQRLK-NWDGAFQWSA-N 1 2 258.325 1.208 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@@H](C)Cc3cn[nH]c32)C1 ZINC001043622104 788874830 /nfs/dbraw/zinc/87/48/30/788874830.db2.gz KYWYLWIYPGYZBU-SMDDNHRTSA-N 1 2 288.395 1.404 20 30 CDEDLO C#Cc1ccccc1CC(=O)OCc1c[nH+]cn1C ZINC000810601614 788890084 /nfs/dbraw/zinc/89/00/84/788890084.db2.gz CSLNTLBNCMQKLZ-UHFFFAOYSA-N 1 2 254.289 1.687 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccnc(C3CCCC3)n2)C1 ZINC001031186219 788891690 /nfs/dbraw/zinc/89/16/90/788891690.db2.gz MZVLCSZZJCLFFR-UHFFFAOYSA-N 1 2 298.390 1.572 20 30 CDEDLO C=CC[N@@H+](Cn1cc(C(=O)OCC)cn1)[C@@H](C)COC ZINC000853534865 788895974 /nfs/dbraw/zinc/89/59/74/788895974.db2.gz NKWOKHNZNRNQHF-LBPRGKRZSA-N 1 2 281.356 1.540 20 30 CDEDLO C=CC[N@H+](Cn1cc(C(=O)OCC)cn1)[C@@H](C)COC ZINC000853534865 788895980 /nfs/dbraw/zinc/89/59/80/788895980.db2.gz NKWOKHNZNRNQHF-LBPRGKRZSA-N 1 2 281.356 1.540 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2CCOc3ccccc32)C1 ZINC001030788859 788897644 /nfs/dbraw/zinc/89/76/44/788897644.db2.gz ADLNNKPQQKAGRD-CYBMUJFWSA-N 1 2 286.375 1.929 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000788294380 788933458 /nfs/dbraw/zinc/93/34/58/788933458.db2.gz WRWDTTFHEDCJSG-HNNXBMFYSA-N 1 2 278.352 1.650 20 30 CDEDLO CC(C)[C@H](C)[N@H+](C)Cn1nc(CC#N)n(C)c1=S ZINC000794621894 788947162 /nfs/dbraw/zinc/94/71/62/788947162.db2.gz ZQZXDAOPQVVKKI-JTQLQIEISA-N 1 2 267.402 1.951 20 30 CDEDLO CC(C)[C@H](C)[N@@H+](C)Cn1nc(CC#N)n(C)c1=S ZINC000794621894 788947172 /nfs/dbraw/zinc/94/71/72/788947172.db2.gz ZQZXDAOPQVVKKI-JTQLQIEISA-N 1 2 267.402 1.951 20 30 CDEDLO Cc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C#CC2CC2)o1 ZINC001032397303 788953319 /nfs/dbraw/zinc/95/33/19/788953319.db2.gz SLNLSLXNUHIQCZ-GJZGRUSLSA-N 1 2 299.374 1.490 20 30 CDEDLO Cc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C#CC2CC2)o1 ZINC001032397303 788953345 /nfs/dbraw/zinc/95/33/45/788953345.db2.gz SLNLSLXNUHIQCZ-GJZGRUSLSA-N 1 2 299.374 1.490 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[C@@H]1CCCC1(C)C ZINC000884428223 788976620 /nfs/dbraw/zinc/97/66/20/788976620.db2.gz WMVJRQIBBJKENI-STQMWFEESA-N 1 2 296.411 1.766 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(F)s2)C1 ZINC000923556862 789044941 /nfs/dbraw/zinc/04/49/41/789044941.db2.gz YPBJDPVKJZBIKS-JTQLQIEISA-N 1 2 266.341 1.715 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(F)s2)C1 ZINC000923556862 789044957 /nfs/dbraw/zinc/04/49/57/789044957.db2.gz YPBJDPVKJZBIKS-JTQLQIEISA-N 1 2 266.341 1.715 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(OCC)n[nH]2)C1 ZINC001043044836 789045845 /nfs/dbraw/zinc/04/58/45/789045845.db2.gz YNTSRFJMNGPLQG-UHFFFAOYSA-N 1 2 278.356 1.141 20 30 CDEDLO CC(=O)N(C)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001042382222 789067479 /nfs/dbraw/zinc/06/74/79/789067479.db2.gz FDIQFJZPVNVLEW-UHFFFAOYSA-N 1 2 273.336 1.251 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCOCC2)C1 ZINC001010804477 789128519 /nfs/dbraw/zinc/12/85/19/789128519.db2.gz CNTGGPBLRQSSJE-OLZOCXBDSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCOCC2)C1 ZINC001010804477 789128523 /nfs/dbraw/zinc/12/85/23/789128523.db2.gz CNTGGPBLRQSSJE-OLZOCXBDSA-N 1 2 286.803 1.746 20 30 CDEDLO CCn1ncnc1C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000793347594 789188641 /nfs/dbraw/zinc/18/86/41/789188641.db2.gz YVCLNCCGMXNNSL-GFCCVEGCSA-N 1 2 285.351 1.879 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc2c(c1)CCO2 ZINC000819403527 789204550 /nfs/dbraw/zinc/20/45/50/789204550.db2.gz LCGDGUNWPPCAET-AWEZNQCLSA-N 1 2 275.352 1.240 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc2c(c1)CCO2 ZINC000819403527 789204564 /nfs/dbraw/zinc/20/45/64/789204564.db2.gz LCGDGUNWPPCAET-AWEZNQCLSA-N 1 2 275.352 1.240 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cn2ccnc12 ZINC001032538417 789217265 /nfs/dbraw/zinc/21/72/65/789217265.db2.gz QBCLKOOTPSLBKG-KBPBESRZSA-N 1 2 294.358 1.175 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cn2ccnc12 ZINC001032538417 789217283 /nfs/dbraw/zinc/21/72/83/789217283.db2.gz QBCLKOOTPSLBKG-KBPBESRZSA-N 1 2 294.358 1.175 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)n1c(C)ccc1C ZINC001018304145 789232046 /nfs/dbraw/zinc/23/20/46/789232046.db2.gz SKJLRFUDNKEYSL-YESZJQIVSA-N 1 2 299.418 1.974 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)n1c(C)ccc1C ZINC001018304145 789232077 /nfs/dbraw/zinc/23/20/77/789232077.db2.gz SKJLRFUDNKEYSL-YESZJQIVSA-N 1 2 299.418 1.974 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCCC3(C2)OCCO3)n1 ZINC000877169780 789325868 /nfs/dbraw/zinc/32/58/68/789325868.db2.gz GCTTYGRJJKZAQT-UHFFFAOYSA-N 1 2 259.309 1.292 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCCC3(C2)OCCO3)n1 ZINC000877169780 789325880 /nfs/dbraw/zinc/32/58/80/789325880.db2.gz GCTTYGRJJKZAQT-UHFFFAOYSA-N 1 2 259.309 1.292 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCCO[C@H]2C(C)C)C1 ZINC001042743435 789330896 /nfs/dbraw/zinc/33/08/96/789330896.db2.gz PJJADGASWUACCP-GJZGRUSLSA-N 1 2 280.412 1.766 20 30 CDEDLO C=C(Cl)CN1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000989786977 789331455 /nfs/dbraw/zinc/33/14/55/789331455.db2.gz GIVVXMITFUSGJQ-UHFFFAOYSA-N 1 2 282.775 1.170 20 30 CDEDLO C#C[C@H]([NH2+]Cc1cc(C(=O)OC)co1)[C@H]1CCCO1 ZINC000775789693 789367053 /nfs/dbraw/zinc/36/70/53/789367053.db2.gz MYKVLEJYLZQTNR-QWHCGFSZSA-N 1 2 263.293 1.337 20 30 CDEDLO C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1ccc(OCC#N)cc1 ZINC000775336569 789456803 /nfs/dbraw/zinc/45/68/03/789456803.db2.gz LRBQYSUBCKLBGM-LLVKDONJSA-N 1 2 298.350 1.761 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)CC1CCC1)CO2 ZINC001053765543 789484650 /nfs/dbraw/zinc/48/46/50/789484650.db2.gz QVDJPSNNFIUSKX-AWEZNQCLSA-N 1 2 278.396 1.712 20 30 CDEDLO C=C(Br)CNC(=O)NCc1c[nH+]cn1C ZINC000811868855 789714150 /nfs/dbraw/zinc/71/41/50/789714150.db2.gz YYKBKIVWNGZNKA-UHFFFAOYSA-N 1 2 273.134 1.128 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccnn1CC ZINC001027845427 789717728 /nfs/dbraw/zinc/71/77/28/789717728.db2.gz PYWXCXUTYUAONO-LBPRGKRZSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccnn1CC ZINC001027845427 789717735 /nfs/dbraw/zinc/71/77/35/789717735.db2.gz PYWXCXUTYUAONO-LBPRGKRZSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccon1 ZINC001050829383 789720804 /nfs/dbraw/zinc/72/08/04/789720804.db2.gz CGPRBHYHWAVZFN-LBPRGKRZSA-N 1 2 279.340 1.071 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccon1 ZINC001050829383 789720811 /nfs/dbraw/zinc/72/08/11/789720811.db2.gz CGPRBHYHWAVZFN-LBPRGKRZSA-N 1 2 279.340 1.071 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn(C)c2-n2cccc2)C1 ZINC001030768684 789763621 /nfs/dbraw/zinc/76/36/21/789763621.db2.gz KUCRGGMOSSIVLS-UHFFFAOYSA-N 1 2 299.378 1.201 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(F)c1 ZINC001017464759 789800193 /nfs/dbraw/zinc/80/01/93/789800193.db2.gz XKELIRIYRIJQEW-GASCZTMLSA-N 1 2 287.338 1.533 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(F)c1 ZINC001017464759 789800196 /nfs/dbraw/zinc/80/01/96/789800196.db2.gz XKELIRIYRIJQEW-GASCZTMLSA-N 1 2 287.338 1.533 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@@H]1CCc2cc(F)ccc2C1 ZINC001168425189 912547509 /nfs/dbraw/zinc/54/75/09/912547509.db2.gz COLWEMOJPXAMMA-CABCVRRESA-N 1 2 259.328 1.480 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)n[nH]1)C2 ZINC001095211919 912614628 /nfs/dbraw/zinc/61/46/28/912614628.db2.gz RUUCQYKETQEXOG-MDZLAQPJSA-N 1 2 294.786 1.806 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)n[nH]1)C2 ZINC001095211919 912614636 /nfs/dbraw/zinc/61/46/36/912614636.db2.gz RUUCQYKETQEXOG-MDZLAQPJSA-N 1 2 294.786 1.806 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)cn1)C2 ZINC001095310530 913211344 /nfs/dbraw/zinc/21/13/44/913211344.db2.gz ZDJSYSNZVRWKNX-MDZLAQPJSA-N 1 2 294.786 1.508 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)cn1)C2 ZINC001095310530 913211358 /nfs/dbraw/zinc/21/13/58/913211358.db2.gz ZDJSYSNZVRWKNX-MDZLAQPJSA-N 1 2 294.786 1.508 20 30 CDEDLO CC#CC[NH2+]C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001106155328 913442309 /nfs/dbraw/zinc/44/23/09/913442309.db2.gz SBFQGRIIIJCWPC-MXWKQRLJSA-N 1 2 294.292 1.594 20 30 CDEDLO CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C ZINC001106155328 913442322 /nfs/dbraw/zinc/44/23/22/913442322.db2.gz SBFQGRIIIJCWPC-MXWKQRLJSA-N 1 2 294.292 1.594 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2scnc2C)C1 ZINC001006834332 895686416 /nfs/dbraw/zinc/68/64/16/895686416.db2.gz RBXWAAAKEMOYLS-GFCCVEGCSA-N 1 2 277.393 1.669 20 30 CDEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2scnc2C)C1 ZINC001006834332 895686420 /nfs/dbraw/zinc/68/64/20/895686420.db2.gz RBXWAAAKEMOYLS-GFCCVEGCSA-N 1 2 277.393 1.669 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnnn2C)[C@H]1C ZINC000993278072 914160163 /nfs/dbraw/zinc/16/01/63/914160163.db2.gz GXTLMOYUAKPPTE-GHMZBOCLSA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnnn2C)[C@H]1C ZINC000993278072 914160175 /nfs/dbraw/zinc/16/01/75/914160175.db2.gz GXTLMOYUAKPPTE-GHMZBOCLSA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CC[C@@H]1CCOC1 ZINC001419957804 898854798 /nfs/dbraw/zinc/85/47/98/898854798.db2.gz QNOJOIBLQUNVSM-CYBMUJFWSA-N 1 2 288.819 1.946 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CC[C@@H]1CCOC1 ZINC001419957804 898854811 /nfs/dbraw/zinc/85/48/11/898854811.db2.gz QNOJOIBLQUNVSM-CYBMUJFWSA-N 1 2 288.819 1.946 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C)on3)[C@@H]2C1 ZINC001075523867 898915456 /nfs/dbraw/zinc/91/54/56/898915456.db2.gz CWBFKMNWULHEJO-WCQYABFASA-N 1 2 295.770 1.882 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C)on3)[C@@H]2C1 ZINC001075523867 898915463 /nfs/dbraw/zinc/91/54/63/898915463.db2.gz CWBFKMNWULHEJO-WCQYABFASA-N 1 2 295.770 1.882 20 30 CDEDLO C[C@@H](C#N)N(C)C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176966040 914405587 /nfs/dbraw/zinc/40/55/87/914405587.db2.gz WLGFHTXEULOZJK-STQMWFEESA-N 1 2 272.352 1.668 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H]2OCC[N@@H+](CC(=C)C)[C@H]2C1 ZINC001176989276 914421510 /nfs/dbraw/zinc/42/15/10/914421510.db2.gz OQPDKRUHKHCESI-JKSUJKDBSA-N 1 2 290.407 1.668 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H]2OCC[N@H+](CC(=C)C)[C@H]2C1 ZINC001176989276 914421514 /nfs/dbraw/zinc/42/15/14/914421514.db2.gz OQPDKRUHKHCESI-JKSUJKDBSA-N 1 2 290.407 1.668 20 30 CDEDLO CN(CC#N)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001027491758 900534062 /nfs/dbraw/zinc/53/40/62/900534062.db2.gz XWMDPMVRPFJOMY-CYBMUJFWSA-N 1 2 297.362 1.394 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCCC=C)C[C@H]21 ZINC001177087736 914486202 /nfs/dbraw/zinc/48/62/02/914486202.db2.gz GHHXAFWTGMCOLT-CVEARBPZSA-N 1 2 290.407 1.668 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCCC=C)C[C@H]21 ZINC001177087736 914486214 /nfs/dbraw/zinc/48/62/14/914486214.db2.gz GHHXAFWTGMCOLT-CVEARBPZSA-N 1 2 290.407 1.668 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)CCCOC)C1 ZINC001481707936 901862448 /nfs/dbraw/zinc/86/24/48/901862448.db2.gz MEHDVOWGRDEDKB-DGCLKSJQSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)CCCOC)C1 ZINC001481707936 901862494 /nfs/dbraw/zinc/86/24/94/901862494.db2.gz MEHDVOWGRDEDKB-DGCLKSJQSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001126366609 902371479 /nfs/dbraw/zinc/37/14/79/902371479.db2.gz XCZLKFKLVSIVQA-RISCZKNCSA-N 1 2 281.356 1.077 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](C)COC)C1 ZINC001268703332 902986028 /nfs/dbraw/zinc/98/60/28/902986028.db2.gz LMABSHWMVWNLNE-SECBINFHSA-N 1 2 260.765 1.069 20 30 CDEDLO C#CC(=O)N1CC2(C1)CC[N@H+](Cc1nc3ccccc3[nH]1)C2 ZINC001268941438 903253835 /nfs/dbraw/zinc/25/38/35/903253835.db2.gz AILSWBODSCPCIU-UHFFFAOYSA-N 1 2 294.358 1.230 20 30 CDEDLO C#CC(=O)N1CC2(C1)CC[N@@H+](Cc1nc3ccccc3[nH]1)C2 ZINC001268941438 903253844 /nfs/dbraw/zinc/25/38/44/903253844.db2.gz AILSWBODSCPCIU-UHFFFAOYSA-N 1 2 294.358 1.230 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccnc(F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226787841 905629303 /nfs/dbraw/zinc/62/93/03/905629303.db2.gz AGHHZONQDBSGFP-NJFCNUMCSA-N 1 2 250.273 1.212 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccnc(F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226787841 905629312 /nfs/dbraw/zinc/62/93/12/905629312.db2.gz AGHHZONQDBSGFP-NJFCNUMCSA-N 1 2 250.273 1.212 20 30 CDEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCF)cn1 ZINC001029558582 906359630 /nfs/dbraw/zinc/35/96/30/906359630.db2.gz MNHVQPFBWZFTSQ-GASCZTMLSA-N 1 2 287.338 1.321 20 30 CDEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCF)cn1 ZINC001029558582 906359649 /nfs/dbraw/zinc/35/96/49/906359649.db2.gz MNHVQPFBWZFTSQ-GASCZTMLSA-N 1 2 287.338 1.321 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cocn1 ZINC001271976956 907064079 /nfs/dbraw/zinc/06/40/79/907064079.db2.gz DMZDGNFKLYFMNP-UHFFFAOYSA-N 1 2 257.721 1.431 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cocn1 ZINC001271976956 907064068 /nfs/dbraw/zinc/06/40/68/907064068.db2.gz DMZDGNFKLYFMNP-UHFFFAOYSA-N 1 2 257.721 1.431 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)n2cncn2)[C@H]1C ZINC001088530820 907613990 /nfs/dbraw/zinc/61/39/90/907613990.db2.gz LHZKXGPKEDRYJU-UTUOFQBUSA-N 1 2 297.790 1.171 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)n2cncn2)[C@H]1C ZINC001088530820 907614004 /nfs/dbraw/zinc/61/40/04/907614004.db2.gz LHZKXGPKEDRYJU-UTUOFQBUSA-N 1 2 297.790 1.171 20 30 CDEDLO COC(C[N@H+](C)Cc1ccc(C#N)cc1F)OC ZINC000714567999 908458272 /nfs/dbraw/zinc/45/82/72/908458272.db2.gz KPJKWYVKENBSQB-UHFFFAOYSA-N 1 2 252.289 1.748 20 30 CDEDLO COC(C[N@@H+](C)Cc1ccc(C#N)cc1F)OC ZINC000714567999 908458281 /nfs/dbraw/zinc/45/82/81/908458281.db2.gz KPJKWYVKENBSQB-UHFFFAOYSA-N 1 2 252.289 1.748 20 30 CDEDLO C=C(C)CCC(=O)NCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001076797337 910049760 /nfs/dbraw/zinc/04/97/60/910049760.db2.gz DISJTSBJHPVMIS-LBPRGKRZSA-N 1 2 292.383 1.320 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH2+][C@H]1CCN(CC)C(=O)C1)[C@@H](C)CC ZINC001172030413 911147761 /nfs/dbraw/zinc/14/77/61/911147761.db2.gz XRRSRJNKVLWXRS-YDHLFZDLSA-N 1 2 296.411 1.731 20 30 CDEDLO CC(=O)OC1C[NH+]([C@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172306121 911545840 /nfs/dbraw/zinc/54/58/40/911545840.db2.gz IOXLSFHWOKUZTJ-LLVKDONJSA-N 1 2 258.321 1.737 20 30 CDEDLO Cc1ncc(C#N)cc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178101135 915167774 /nfs/dbraw/zinc/16/77/74/915167774.db2.gz QFPRJDVXDSDNQZ-LBPRGKRZSA-N 1 2 281.319 1.659 20 30 CDEDLO CC(C)C#CC(=O)N1CC[C@H]([NH2+]Cc2csnn2)[C@@H]1C ZINC001178648800 915543400 /nfs/dbraw/zinc/54/34/00/915543400.db2.gz MFXYCZVFRLLSHQ-AAEUAGOBSA-N 1 2 292.408 1.277 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2c(C)ncn2C)C1 ZINC001031747670 915602353 /nfs/dbraw/zinc/60/23/53/915602353.db2.gz NYZBYFWVRLRGIZ-UHFFFAOYSA-N 1 2 282.775 1.143 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001179894918 916033641 /nfs/dbraw/zinc/03/36/41/916033641.db2.gz GFAGOVBTGXWLEF-SWLSCSKDSA-N 1 2 269.348 1.588 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001179894918 916033659 /nfs/dbraw/zinc/03/36/59/916033659.db2.gz GFAGOVBTGXWLEF-SWLSCSKDSA-N 1 2 269.348 1.588 20 30 CDEDLO C#CC1(NC(=O)Cc2cc[nH+]c(N)c2)CCCCC1 ZINC001181276407 916955077 /nfs/dbraw/zinc/95/50/77/916955077.db2.gz AOCFACZOCLWCEY-UHFFFAOYSA-N 1 2 257.337 1.659 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(OC)cc2C#N)CC1 ZINC001137704545 936392845 /nfs/dbraw/zinc/39/28/45/936392845.db2.gz KWAHMFLHXZUYER-UHFFFAOYSA-N 1 2 269.348 1.318 20 30 CDEDLO Cc1nc(N[C@@H](C)CNC(=O)Cn2cc[nH+]c2)ccc1C#N ZINC001097920734 936426232 /nfs/dbraw/zinc/42/62/32/936426232.db2.gz AQSDVJLLAREQBB-NSHDSACASA-N 1 2 298.350 1.075 20 30 CDEDLO C=CCCC(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001124632058 917511090 /nfs/dbraw/zinc/51/10/90/917511090.db2.gz UZFLGZUQDOAAGB-UHFFFAOYSA-N 1 2 264.329 1.119 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NC/C=C/CNc1cc[nH+]c(C)n1 ZINC001107148411 918215554 /nfs/dbraw/zinc/21/55/54/918215554.db2.gz JCGMOVQROGJRPU-LLYBFZRZSA-N 1 2 290.367 1.196 20 30 CDEDLO O=C(NCC[NH2+]CCC(F)(F)F)C(F)C(F)(F)F ZINC001127736629 918271920 /nfs/dbraw/zinc/27/19/20/918271920.db2.gz HMMWUZBMRWXUSR-RXMQYKEDSA-N 1 2 284.175 1.545 20 30 CDEDLO O=C(NCC[NH2+]CCC(F)(F)F)[C@@H](F)C(F)(F)F ZINC001127736629 918271933 /nfs/dbraw/zinc/27/19/33/918271933.db2.gz HMMWUZBMRWXUSR-RXMQYKEDSA-N 1 2 284.175 1.545 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2c(C)noc2C)C1 ZINC001107730534 918701111 /nfs/dbraw/zinc/70/11/11/918701111.db2.gz BDSPMQSXHGNEBU-HNNXBMFYSA-N 1 2 293.367 1.298 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2c(C)noc2C)C1 ZINC001107730534 918701124 /nfs/dbraw/zinc/70/11/24/918701124.db2.gz BDSPMQSXHGNEBU-HNNXBMFYSA-N 1 2 293.367 1.298 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccnc(F)c2)C1 ZINC001107794864 918795299 /nfs/dbraw/zinc/79/52/99/918795299.db2.gz GWHQHYKCVVBPOF-OAHLLOKOSA-N 1 2 293.342 1.227 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccnc(F)c2)C1 ZINC001107794864 918795307 /nfs/dbraw/zinc/79/53/07/918795307.db2.gz GWHQHYKCVVBPOF-OAHLLOKOSA-N 1 2 293.342 1.227 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CSC)C1 ZINC001107816468 918817965 /nfs/dbraw/zinc/81/79/65/918817965.db2.gz DMKBKCDFENFTSC-GXTWGEPZSA-N 1 2 286.441 1.379 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CSC)C1 ZINC001107816468 918817972 /nfs/dbraw/zinc/81/79/72/918817972.db2.gz DMKBKCDFENFTSC-GXTWGEPZSA-N 1 2 286.441 1.379 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001107849318 918875468 /nfs/dbraw/zinc/87/54/68/918875468.db2.gz XMCKWROXRBUSMV-ORIJERBGSA-N 1 2 278.396 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001107849318 918875477 /nfs/dbraw/zinc/87/54/77/918875477.db2.gz XMCKWROXRBUSMV-ORIJERBGSA-N 1 2 278.396 1.426 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)SC)C1 ZINC001107872829 918949882 /nfs/dbraw/zinc/94/98/82/918949882.db2.gz UDCKVTXJQZRVCE-GXTWGEPZSA-N 1 2 286.441 1.521 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)SC)C1 ZINC001107872829 918949895 /nfs/dbraw/zinc/94/98/95/918949895.db2.gz UDCKVTXJQZRVCE-GXTWGEPZSA-N 1 2 286.441 1.521 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C#CC(C)(C)C)C1 ZINC001107935298 919073340 /nfs/dbraw/zinc/07/33/40/919073340.db2.gz YZLVNZFXVFYJOW-INIZCTEOSA-N 1 2 278.396 1.429 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C#CC(C)(C)C)C1 ZINC001107935298 919073354 /nfs/dbraw/zinc/07/33/54/919073354.db2.gz YZLVNZFXVFYJOW-INIZCTEOSA-N 1 2 278.396 1.429 20 30 CDEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccon1 ZINC001272756065 919110476 /nfs/dbraw/zinc/11/04/76/919110476.db2.gz AIHYOCMFJFEPDR-HNNXBMFYSA-N 1 2 273.336 1.265 20 30 CDEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccon1 ZINC001272756065 919110489 /nfs/dbraw/zinc/11/04/89/919110489.db2.gz AIHYOCMFJFEPDR-HNNXBMFYSA-N 1 2 273.336 1.265 20 30 CDEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ncccn1 ZINC001272794479 919303436 /nfs/dbraw/zinc/30/34/36/919303436.db2.gz UMFXKYZQYZTCDO-MRXNPFEDSA-N 1 2 286.379 1.620 20 30 CDEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ncccn1 ZINC001272794479 919303451 /nfs/dbraw/zinc/30/34/51/919303451.db2.gz UMFXKYZQYZTCDO-MRXNPFEDSA-N 1 2 286.379 1.620 20 30 CDEDLO C=C(C)CN1C[C@]2(CC[N@H+](Cc3ncco3)C2)OCC1=O ZINC001272802006 919319617 /nfs/dbraw/zinc/31/96/17/919319617.db2.gz KMCGQPSSSVJZBS-OAHLLOKOSA-N 1 2 291.351 1.054 20 30 CDEDLO C=C(C)CN1C[C@]2(CC[N@@H+](Cc3ncco3)C2)OCC1=O ZINC001272802006 919319633 /nfs/dbraw/zinc/31/96/33/919319633.db2.gz KMCGQPSSSVJZBS-OAHLLOKOSA-N 1 2 291.351 1.054 20 30 CDEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ncco1 ZINC001272803822 919329359 /nfs/dbraw/zinc/32/93/59/919329359.db2.gz WCHFKNLSAUWOEA-OAHLLOKOSA-N 1 2 275.352 1.818 20 30 CDEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ncco1 ZINC001272803822 919329377 /nfs/dbraw/zinc/32/93/77/919329377.db2.gz WCHFKNLSAUWOEA-OAHLLOKOSA-N 1 2 275.352 1.818 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccns2)C1 ZINC001107980153 919458595 /nfs/dbraw/zinc/45/85/95/919458595.db2.gz QWESMXXRMWRJGP-CYBMUJFWSA-N 1 2 281.381 1.150 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccns2)C1 ZINC001107980153 919458606 /nfs/dbraw/zinc/45/86/06/919458606.db2.gz QWESMXXRMWRJGP-CYBMUJFWSA-N 1 2 281.381 1.150 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)C2CCC2)C1 ZINC001108021168 919986270 /nfs/dbraw/zinc/98/62/70/919986270.db2.gz VJXMJRIJRXEDIZ-WMLDXEAASA-N 1 2 292.423 1.653 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)C2CCC2)C1 ZINC001108021168 919986275 /nfs/dbraw/zinc/98/62/75/919986275.db2.gz VJXMJRIJRXEDIZ-WMLDXEAASA-N 1 2 292.423 1.653 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC23CC3)C1 ZINC001108023945 920006112 /nfs/dbraw/zinc/00/61/12/920006112.db2.gz GOKNHIUNAMPWDN-GOEBONIOSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC23CC3)C1 ZINC001108023945 920006126 /nfs/dbraw/zinc/00/61/26/920006126.db2.gz GOKNHIUNAMPWDN-GOEBONIOSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC23CC3)C1 ZINC001108023947 920006655 /nfs/dbraw/zinc/00/66/55/920006655.db2.gz GOKNHIUNAMPWDN-ZBFHGGJFSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC23CC3)C1 ZINC001108023947 920006667 /nfs/dbraw/zinc/00/66/67/920006667.db2.gz GOKNHIUNAMPWDN-ZBFHGGJFSA-N 1 2 292.423 1.960 20 30 CDEDLO C[C@@H](C#N)S(=O)(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000715677698 920017890 /nfs/dbraw/zinc/01/78/90/920017890.db2.gz CWQBJFKEOAXFBL-JSGCOSHPSA-N 1 2 293.392 1.092 20 30 CDEDLO C[C@@H](C#N)S(=O)(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000715677698 920017901 /nfs/dbraw/zinc/01/79/01/920017901.db2.gz CWQBJFKEOAXFBL-JSGCOSHPSA-N 1 2 293.392 1.092 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC001078146425 920140840 /nfs/dbraw/zinc/14/08/40/920140840.db2.gz GCHGGARCZOTKHD-CHWSQXEVSA-N 1 2 292.404 1.163 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC001078146425 920140845 /nfs/dbraw/zinc/14/08/45/920140845.db2.gz GCHGGARCZOTKHD-CHWSQXEVSA-N 1 2 292.404 1.163 20 30 CDEDLO C=CCn1cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)cn1 ZINC001139768835 936645148 /nfs/dbraw/zinc/64/51/48/936645148.db2.gz VPPKXHQBEPCNEI-CQSZACIVSA-N 1 2 263.341 1.060 20 30 CDEDLO C=CCn1cc(C[N@H+]2CCO[C@]3(CCOC3)C2)cn1 ZINC001139768835 936645149 /nfs/dbraw/zinc/64/51/49/936645149.db2.gz VPPKXHQBEPCNEI-CQSZACIVSA-N 1 2 263.341 1.060 20 30 CDEDLO Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)cc1C#N ZINC001139725016 936640123 /nfs/dbraw/zinc/64/01/23/936640123.db2.gz ZGMPEKHXKJSICL-USXIJHARSA-N 1 2 286.375 1.838 20 30 CDEDLO Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)cc1C#N ZINC001139725016 936640124 /nfs/dbraw/zinc/64/01/24/936640124.db2.gz ZGMPEKHXKJSICL-USXIJHARSA-N 1 2 286.375 1.838 20 30 CDEDLO C=CCn1cc(C[N@@H+](C)Cc2cnc(C)nc2)cn1 ZINC001139771412 936645558 /nfs/dbraw/zinc/64/55/58/936645558.db2.gz ZKZXKGKKHCLASM-UHFFFAOYSA-N 1 2 257.341 1.800 20 30 CDEDLO C=CCn1cc(C[N@H+](C)Cc2cnc(C)nc2)cn1 ZINC001139771412 936645560 /nfs/dbraw/zinc/64/55/60/936645560.db2.gz ZKZXKGKKHCLASM-UHFFFAOYSA-N 1 2 257.341 1.800 20 30 CDEDLO COC[C@H]1COCC[N@@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140116729 936679895 /nfs/dbraw/zinc/67/98/95/936679895.db2.gz FBFSFVSVZKVSDI-AWEZNQCLSA-N 1 2 285.347 1.887 20 30 CDEDLO COC[C@H]1COCC[N@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140116729 936679897 /nfs/dbraw/zinc/67/98/97/936679897.db2.gz FBFSFVSVZKVSDI-AWEZNQCLSA-N 1 2 285.347 1.887 20 30 CDEDLO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140115064 936680051 /nfs/dbraw/zinc/68/00/51/936680051.db2.gz LLZPANFLZVCHSV-NSHDSACASA-N 1 2 282.347 1.702 20 30 CDEDLO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140115064 936680053 /nfs/dbraw/zinc/68/00/53/936680053.db2.gz LLZPANFLZVCHSV-NSHDSACASA-N 1 2 282.347 1.702 20 30 CDEDLO C=CC[N@H+]1C[C@H](NC(=O)c2[nH]ncc2F)CC[C@@H]1C ZINC001071800205 936691838 /nfs/dbraw/zinc/69/18/38/936691838.db2.gz SNHFPDYQMYHHIZ-VHSXEESVSA-N 1 2 266.320 1.318 20 30 CDEDLO C=CC[N@@H+]1C[C@H](NC(=O)c2[nH]ncc2F)CC[C@@H]1C ZINC001071800205 936691839 /nfs/dbraw/zinc/69/18/39/936691839.db2.gz SNHFPDYQMYHHIZ-VHSXEESVSA-N 1 2 266.320 1.318 20 30 CDEDLO C=C(C)C(=O)OCCNC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190106823 921827259 /nfs/dbraw/zinc/82/72/59/921827259.db2.gz LBUVNBQWOKDMEZ-UHFFFAOYSA-N 1 2 299.330 1.721 20 30 CDEDLO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)nc2)C1 ZINC001140546767 936723278 /nfs/dbraw/zinc/72/32/78/936723278.db2.gz UKASJWHIANYZEQ-OAHLLOKOSA-N 1 2 286.379 1.690 20 30 CDEDLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)nc2)C1 ZINC001140546767 936723280 /nfs/dbraw/zinc/72/32/80/936723280.db2.gz UKASJWHIANYZEQ-OAHLLOKOSA-N 1 2 286.379 1.690 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CC(=C)Cl)C[C@H]21 ZINC001190441563 922013101 /nfs/dbraw/zinc/01/31/01/922013101.db2.gz WESMVRLBMSAKRA-MELADBBJSA-N 1 2 298.814 1.863 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC(=C)Cl)C[C@H]21 ZINC001190441563 922013112 /nfs/dbraw/zinc/01/31/12/922013112.db2.gz WESMVRLBMSAKRA-MELADBBJSA-N 1 2 298.814 1.863 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CC=CC3)C[C@H]21 ZINC001074197505 936734797 /nfs/dbraw/zinc/73/47/97/936734797.db2.gz WRBZFUNFVLWQBW-HZPDHXFCSA-N 1 2 290.407 1.830 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3CC=CC3)C[C@H]21 ZINC001074197505 936734799 /nfs/dbraw/zinc/73/47/99/936734799.db2.gz WRBZFUNFVLWQBW-HZPDHXFCSA-N 1 2 290.407 1.830 20 30 CDEDLO COc1nccc(C[N@@H+]2CCc3cc(C#N)ccc3C2)n1 ZINC001140691139 936740632 /nfs/dbraw/zinc/74/06/32/936740632.db2.gz YNFQAUZXBOABEE-UHFFFAOYSA-N 1 2 280.331 1.915 20 30 CDEDLO COc1nccc(C[N@H+]2CCc3cc(C#N)ccc3C2)n1 ZINC001140691139 936740634 /nfs/dbraw/zinc/74/06/34/936740634.db2.gz YNFQAUZXBOABEE-UHFFFAOYSA-N 1 2 280.331 1.915 20 30 CDEDLO C#C[C@@H](C)NC(=O)c1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC001190865442 922266825 /nfs/dbraw/zinc/26/68/25/922266825.db2.gz CZGZNLOFPCFYEN-OAHLLOKOSA-N 1 2 299.418 1.576 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C=C2CCC2)[C@H](O)C1 ZINC001090183506 922464942 /nfs/dbraw/zinc/46/49/42/922464942.db2.gz WAOKTMOKDWPSJQ-CHWSQXEVSA-N 1 2 284.787 1.401 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C=C2CCC2)[C@H](O)C1 ZINC001090183506 922464953 /nfs/dbraw/zinc/46/49/53/922464953.db2.gz WAOKTMOKDWPSJQ-CHWSQXEVSA-N 1 2 284.787 1.401 20 30 CDEDLO Cc1nc(N[C@H]2CCN(C(=O)C#CC(C)C)[C@H]2C)cc[nH+]1 ZINC001090212206 922630772 /nfs/dbraw/zinc/63/07/72/922630772.db2.gz FDKXAUVSFRSCQG-JSGCOSHPSA-N 1 2 286.379 1.846 20 30 CDEDLO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192550918 923125289 /nfs/dbraw/zinc/12/52/89/923125289.db2.gz LZEKFGCTEUZCII-ZDUSSCGKSA-N 1 2 262.357 1.061 20 30 CDEDLO C=CCC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192550918 923125297 /nfs/dbraw/zinc/12/52/97/923125297.db2.gz LZEKFGCTEUZCII-ZDUSSCGKSA-N 1 2 262.357 1.061 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCCCn1cc[nH+]c1 ZINC000923165174 923589889 /nfs/dbraw/zinc/58/98/89/923589889.db2.gz HYGJYYSPMVWIPJ-STQMWFEESA-N 1 2 264.325 1.798 20 30 CDEDLO C[N@H+]1CCC[C@H]2CN(C(=O)c3cccc(C#N)c3O)C[C@H]21 ZINC001193646239 923838372 /nfs/dbraw/zinc/83/83/72/923838372.db2.gz FPZCKUAPFMHXPD-GXTWGEPZSA-N 1 2 285.347 1.430 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001195277225 924520690 /nfs/dbraw/zinc/52/06/90/924520690.db2.gz BDELWCPZLBDUPK-GKKDLHFNSA-N 1 2 286.803 1.503 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001195277225 924520696 /nfs/dbraw/zinc/52/06/96/924520696.db2.gz BDELWCPZLBDUPK-GKKDLHFNSA-N 1 2 286.803 1.503 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc(C)n2C)C1 ZINC001080332432 924536200 /nfs/dbraw/zinc/53/62/00/924536200.db2.gz YRHWZRRSDZCOLQ-BXKDBHETSA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc(C)n2C)C1 ZINC001080332432 924536204 /nfs/dbraw/zinc/53/62/04/924536204.db2.gz YRHWZRRSDZCOLQ-BXKDBHETSA-N 1 2 296.802 1.531 20 30 CDEDLO N#Cc1ccc(C(=O)Nc2cccnc2C[NH3+])c(O)c1 ZINC001195768139 924711911 /nfs/dbraw/zinc/71/19/11/924711911.db2.gz GLBQPTYAAYNKMZ-UHFFFAOYSA-N 1 2 268.276 1.370 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3scnc3CC)[C@@H]2C1 ZINC001084390248 925249102 /nfs/dbraw/zinc/24/91/02/925249102.db2.gz HCWWOVIPQLIRJH-DGCLKSJQSA-N 1 2 289.404 1.485 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3scnc3CC)[C@@H]2C1 ZINC001084390248 925249119 /nfs/dbraw/zinc/24/91/19/925249119.db2.gz HCWWOVIPQLIRJH-DGCLKSJQSA-N 1 2 289.404 1.485 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1c(C)nn(C)c1Cl)[C@H]1CCCO1 ZINC000775795160 925268363 /nfs/dbraw/zinc/26/83/63/925268363.db2.gz MOGVYTQCANTQTQ-VXGBXAGGSA-N 1 2 267.760 1.652 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(OC(F)F)cn2)CC1 ZINC001197921786 925269080 /nfs/dbraw/zinc/26/90/80/925269080.db2.gz GYQURWPNDBKWFF-UHFFFAOYSA-N 1 2 297.305 1.627 20 30 CDEDLO C[C@@H](C#N)N(C)C(=O)C[N@@H+]1CCc2sccc2C1 ZINC001142219141 936992140 /nfs/dbraw/zinc/99/21/40/936992140.db2.gz BDIKIKQFXUSZLG-JTQLQIEISA-N 1 2 263.366 1.477 20 30 CDEDLO C[C@@H](C#N)N(C)C(=O)C[N@H+]1CCc2sccc2C1 ZINC001142219141 936992143 /nfs/dbraw/zinc/99/21/43/936992143.db2.gz BDIKIKQFXUSZLG-JTQLQIEISA-N 1 2 263.366 1.477 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](O)C(C)C)C2 ZINC001110522054 925569231 /nfs/dbraw/zinc/56/92/31/925569231.db2.gz LQPHERDTGUGDIG-FVCCEPFGSA-N 1 2 286.803 1.477 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](O)C(C)C)C2 ZINC001110522054 925569239 /nfs/dbraw/zinc/56/92/39/925569239.db2.gz LQPHERDTGUGDIG-FVCCEPFGSA-N 1 2 286.803 1.477 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(C)CC(=C)C2)C1 ZINC001108202266 925788519 /nfs/dbraw/zinc/78/85/19/925788519.db2.gz ZWRQARJLNUZVTG-INIZCTEOSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(C)CC(=C)C2)C1 ZINC001108202266 925788527 /nfs/dbraw/zinc/78/85/27/925788527.db2.gz ZWRQARJLNUZVTG-INIZCTEOSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[NH+]1CCN(C(=S)Nc2cccnc2)CC1 ZINC001199896635 925899455 /nfs/dbraw/zinc/89/94/55/925899455.db2.gz DAHQMABDZKCCEE-UHFFFAOYSA-N 1 2 262.382 1.582 20 30 CDEDLO Cn1ncc2c1nc[nH+]c2NCCNc1ccc(C#N)cn1 ZINC000826785058 925918683 /nfs/dbraw/zinc/91/86/83/925918683.db2.gz CABPVMVSGVBNGW-UHFFFAOYSA-N 1 2 294.322 1.154 20 30 CDEDLO N#Cc1ccc(NC(=O)[C@H]2CC3CC[NH+]2CC3)c(O)c1 ZINC001142632561 937042799 /nfs/dbraw/zinc/04/27/99/937042799.db2.gz MMFWZXVIVFLLBR-CYBMUJFWSA-N 1 2 271.320 1.687 20 30 CDEDLO CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001085445575 925972623 /nfs/dbraw/zinc/97/26/23/925972623.db2.gz KIPSCOKQHKCTBI-AWEZNQCLSA-N 1 2 275.327 1.750 20 30 CDEDLO CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001085445575 925972628 /nfs/dbraw/zinc/97/26/28/925972628.db2.gz KIPSCOKQHKCTBI-AWEZNQCLSA-N 1 2 275.327 1.750 20 30 CDEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1nc(C)no1 ZINC001273816701 926000325 /nfs/dbraw/zinc/00/03/25/926000325.db2.gz XXXQPNBFOZGVTK-VXGBXAGGSA-N 1 2 276.340 1.129 20 30 CDEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1nc(C)no1 ZINC001273816701 926000332 /nfs/dbraw/zinc/00/03/32/926000332.db2.gz XXXQPNBFOZGVTK-VXGBXAGGSA-N 1 2 276.340 1.129 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1F ZINC001085461918 926010332 /nfs/dbraw/zinc/01/03/32/926010332.db2.gz QVSJNCNYAQEMIP-ZDUSSCGKSA-N 1 2 274.339 1.995 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1F ZINC001085461918 926010338 /nfs/dbraw/zinc/01/03/38/926010338.db2.gz QVSJNCNYAQEMIP-ZDUSSCGKSA-N 1 2 274.339 1.995 20 30 CDEDLO CN(C[C@H]1CC[N@@H+]1C/C=C\Cl)C(=O)c1ccc(C#N)[nH]1 ZINC001085543554 926133044 /nfs/dbraw/zinc/13/30/44/926133044.db2.gz ZXURIDJMRCJDCT-DBGMKRSLSA-N 1 2 292.770 1.785 20 30 CDEDLO CN(C[C@H]1CC[N@H+]1C/C=C\Cl)C(=O)c1ccc(C#N)[nH]1 ZINC001085543554 926133046 /nfs/dbraw/zinc/13/30/46/926133046.db2.gz ZXURIDJMRCJDCT-DBGMKRSLSA-N 1 2 292.770 1.785 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(CC)n1 ZINC001085644430 926241387 /nfs/dbraw/zinc/24/13/87/926241387.db2.gz NEAXZDDYQQLWPA-CQSZACIVSA-N 1 2 271.364 1.424 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(CC)n1 ZINC001085644430 926241396 /nfs/dbraw/zinc/24/13/96/926241396.db2.gz NEAXZDDYQQLWPA-CQSZACIVSA-N 1 2 271.364 1.424 20 30 CDEDLO CN(C[C@H]1CCN1CC#N)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085672634 926271022 /nfs/dbraw/zinc/27/10/22/926271022.db2.gz CRLYSRWDCIOXJG-GFCCVEGCSA-N 1 2 283.335 1.233 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1n[nH]c2ccc(C)cc21 ZINC001085694791 926294799 /nfs/dbraw/zinc/29/47/99/926294799.db2.gz PWEQJCAAVLMDHH-CYBMUJFWSA-N 1 2 296.374 1.651 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1n[nH]c2ccc(C)cc21 ZINC001085694791 926294806 /nfs/dbraw/zinc/29/48/06/926294806.db2.gz PWEQJCAAVLMDHH-CYBMUJFWSA-N 1 2 296.374 1.651 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085719348 926322591 /nfs/dbraw/zinc/32/25/91/926322591.db2.gz RAFSTWJWEKVHMG-LZWOXQAQSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085719348 926322598 /nfs/dbraw/zinc/32/25/98/926322598.db2.gz RAFSTWJWEKVHMG-LZWOXQAQSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ncc2ccccn21 ZINC001085721688 926325105 /nfs/dbraw/zinc/32/51/05/926325105.db2.gz CPRLICCKSPIIFU-CQSZACIVSA-N 1 2 282.347 1.114 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncc2ccccn21 ZINC001085721688 926325129 /nfs/dbraw/zinc/32/51/29/926325129.db2.gz CPRLICCKSPIIFU-CQSZACIVSA-N 1 2 282.347 1.114 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nc2c(s1)CCC2 ZINC001085723299 926332053 /nfs/dbraw/zinc/33/20/53/926332053.db2.gz UCLQHYYDEYBBSS-LLVKDONJSA-N 1 2 291.420 1.964 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nc2c(s1)CCC2 ZINC001085723299 926332062 /nfs/dbraw/zinc/33/20/62/926332062.db2.gz UCLQHYYDEYBBSS-LLVKDONJSA-N 1 2 291.420 1.964 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2nonc2c1 ZINC001085796365 926406270 /nfs/dbraw/zinc/40/62/70/926406270.db2.gz PFCDPASSNVVJTB-LBPRGKRZSA-N 1 2 284.319 1.002 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2nonc2c1 ZINC001085796365 926406274 /nfs/dbraw/zinc/40/62/74/926406274.db2.gz PFCDPASSNVVJTB-LBPRGKRZSA-N 1 2 284.319 1.002 20 30 CDEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2[C@H](C)C(=O)OCC)C1=O ZINC001273912774 926420295 /nfs/dbraw/zinc/42/02/95/926420295.db2.gz GMMZSEVDDUCWQA-CZUORRHYSA-N 1 2 294.395 1.581 20 30 CDEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2[C@H](C)C(=O)OCC)C1=O ZINC001273912774 926420301 /nfs/dbraw/zinc/42/03/01/926420301.db2.gz GMMZSEVDDUCWQA-CZUORRHYSA-N 1 2 294.395 1.581 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2[nH]c(C)nc2c1 ZINC001085895123 926485836 /nfs/dbraw/zinc/48/58/36/926485836.db2.gz UUWBZISZAWIOOQ-CQSZACIVSA-N 1 2 296.374 1.651 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2[nH]c(C)nc2c1 ZINC001085895123 926485841 /nfs/dbraw/zinc/48/58/41/926485841.db2.gz UUWBZISZAWIOOQ-CQSZACIVSA-N 1 2 296.374 1.651 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2n[nH]c(C)c2c1 ZINC001085972844 926562233 /nfs/dbraw/zinc/56/22/33/926562233.db2.gz JQYXZJXKORBHKE-CYBMUJFWSA-N 1 2 297.362 1.046 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2n[nH]c(C)c2c1 ZINC001085972844 926562239 /nfs/dbraw/zinc/56/22/39/926562239.db2.gz JQYXZJXKORBHKE-CYBMUJFWSA-N 1 2 297.362 1.046 20 30 CDEDLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143165134 937127185 /nfs/dbraw/zinc/12/71/85/937127185.db2.gz VVQRRWNCBYSRLL-PSASIEDQSA-N 1 2 252.264 1.792 20 30 CDEDLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143165134 937127187 /nfs/dbraw/zinc/12/71/87/937127187.db2.gz VVQRRWNCBYSRLL-PSASIEDQSA-N 1 2 252.264 1.792 20 30 CDEDLO C#CCCCC(=O)N[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001108336267 927401380 /nfs/dbraw/zinc/40/13/80/927401380.db2.gz ZIRHXSZZOMNOIH-NSHDSACASA-N 1 2 260.341 1.505 20 30 CDEDLO O=C1C=C2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@H]2S1 ZINC001169025866 927662624 /nfs/dbraw/zinc/66/26/24/927662624.db2.gz ZKHGIPCUGCYLBK-YUSALJHKSA-N 1 2 282.365 1.706 20 30 CDEDLO O=C1C=C2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@H]2S1 ZINC001169025866 927662629 /nfs/dbraw/zinc/66/26/29/927662629.db2.gz ZKHGIPCUGCYLBK-YUSALJHKSA-N 1 2 282.365 1.706 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Nc2nc3ccccc3cc2C#N)C[NH2+]1 ZINC001169129366 927743896 /nfs/dbraw/zinc/74/38/96/927743896.db2.gz MOTGAMWOJOKTFT-OCCSQVGLSA-N 1 2 296.330 1.422 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cc1nc(CC)cc(=O)[nH]1 ZINC000852751040 927862293 /nfs/dbraw/zinc/86/22/93/927862293.db2.gz NNCFFUIUFFJOFY-UHFFFAOYSA-N 1 2 263.341 1.216 20 30 CDEDLO C#CCC[N@H+](CCOC)Cc1nc(CC)cc(=O)[nH]1 ZINC000852751040 927862307 /nfs/dbraw/zinc/86/23/07/927862307.db2.gz NNCFFUIUFFJOFY-UHFFFAOYSA-N 1 2 263.341 1.216 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)N2CCC[C@@H](CC#N)C2)CCO1 ZINC000853607441 928056395 /nfs/dbraw/zinc/05/63/95/928056395.db2.gz ZKMGIMUDGLPOCP-KGLIPLIRSA-N 1 2 294.399 1.042 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCC[C@@H](CC#N)C2)CCO1 ZINC000853607441 928056401 /nfs/dbraw/zinc/05/64/01/928056401.db2.gz ZKMGIMUDGLPOCP-KGLIPLIRSA-N 1 2 294.399 1.042 20 30 CDEDLO N#Cc1cc(N2CC[NH2+]C[C@@H]2C#N)nc2ccccc12 ZINC001156327534 928076174 /nfs/dbraw/zinc/07/61/74/928076174.db2.gz DLNYPSOZJMRHER-LBPRGKRZSA-N 1 2 263.304 1.408 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncccn1)C2 ZINC001111666933 937217454 /nfs/dbraw/zinc/21/74/54/937217454.db2.gz PJNHQMLDACSXIH-WWGRRREGSA-N 1 2 299.378 1.107 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncccn1)C2 ZINC001111666933 937217460 /nfs/dbraw/zinc/21/74/60/937217460.db2.gz PJNHQMLDACSXIH-WWGRRREGSA-N 1 2 299.378 1.107 20 30 CDEDLO Cc1cc(N2CC[NH2+]C[C@@H]2C#N)nc(-c2ccncc2)n1 ZINC001156327924 928128485 /nfs/dbraw/zinc/12/84/85/928128485.db2.gz SGUVOPXZRQHPBD-ZDUSSCGKSA-N 1 2 280.335 1.149 20 30 CDEDLO C=CCCOCC(=O)N[C@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001108996727 928761049 /nfs/dbraw/zinc/76/10/49/928761049.db2.gz VIZXEZIPWABTDG-GFCCVEGCSA-N 1 2 292.383 1.319 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2cncc(F)c2)C[C@H]1C ZINC001206641314 937286823 /nfs/dbraw/zinc/28/68/23/937286823.db2.gz QWPQSBINJSWWNM-MISXGVKJSA-N 1 2 290.342 1.317 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2cncc(F)c2)C[C@H]1C ZINC001206641314 937286825 /nfs/dbraw/zinc/28/68/25/937286825.db2.gz QWPQSBINJSWWNM-MISXGVKJSA-N 1 2 290.342 1.317 20 30 CDEDLO C=CCOCC(=O)NCC1(Nc2cc[nH+]c(C)n2)CC1 ZINC001110077944 929149011 /nfs/dbraw/zinc/14/90/11/929149011.db2.gz PNSJXETZQCOTNX-UHFFFAOYSA-N 1 2 276.340 1.048 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccncc2C)CC1 ZINC001112823855 929462710 /nfs/dbraw/zinc/46/27/10/929462710.db2.gz QTMLLFHUSCRILH-UHFFFAOYSA-N 1 2 289.379 1.350 20 30 CDEDLO C=C(C)CCC(=O)N1CC[NH+](CCN2CCCC2=O)CC1 ZINC001112898094 929546060 /nfs/dbraw/zinc/54/60/60/929546060.db2.gz IYZVXEABAIDAJR-UHFFFAOYSA-N 1 2 293.411 1.109 20 30 CDEDLO C=CCN(C(C)C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000881802374 929901825 /nfs/dbraw/zinc/90/18/25/929901825.db2.gz LUKQSENAOMIGBR-UHFFFAOYSA-N 1 2 257.359 1.109 20 30 CDEDLO COc1cccc(O)c1/C=N\CC[N@@H+]1CCOC[C@H]1C ZINC001115993131 937426728 /nfs/dbraw/zinc/42/67/28/937426728.db2.gz WPCRHLWFACEXKU-YUSFRKCESA-N 1 2 278.352 1.540 20 30 CDEDLO COc1cccc(O)c1/C=N\CC[N@H+]1CCOC[C@H]1C ZINC001115993131 937426730 /nfs/dbraw/zinc/42/67/30/937426730.db2.gz WPCRHLWFACEXKU-YUSFRKCESA-N 1 2 278.352 1.540 20 30 CDEDLO C[C@H](C(=O)Nc1cc(CC#N)ccn1)n1cc[nH+]c1 ZINC001116287745 937440250 /nfs/dbraw/zinc/44/02/50/937440250.db2.gz WIQBRDSLDJSKMO-SNVBAGLBSA-N 1 2 255.281 1.544 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1sccc1C#N)CC1CC1 ZINC001116369777 937444172 /nfs/dbraw/zinc/44/41/72/937444172.db2.gz UXJMGGIKAZJKHY-UHFFFAOYSA-N 1 2 273.361 1.903 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1sccc1C#N)CC1CC1 ZINC001116369777 937444174 /nfs/dbraw/zinc/44/41/74/937444174.db2.gz UXJMGGIKAZJKHY-UHFFFAOYSA-N 1 2 273.361 1.903 20 30 CDEDLO COc1ccc(C2=NO[C@H](C[NH2+]CCC#N)C2)cc1C ZINC000819293501 930778492 /nfs/dbraw/zinc/77/84/92/930778492.db2.gz ROUPVZDOJLSCGB-ZDUSSCGKSA-N 1 2 273.336 2.000 20 30 CDEDLO CSCc1n[nH]c(C[NH2+][C@@H]2CC[C@@H](C#N)C2)n1 ZINC000886757892 930955039 /nfs/dbraw/zinc/95/50/39/930955039.db2.gz ULDHVEOVLVRYMY-RKDXNWHRSA-N 1 2 251.359 1.450 20 30 CDEDLO CSCc1nnc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)[nH]1 ZINC000886757892 930955046 /nfs/dbraw/zinc/95/50/46/930955046.db2.gz ULDHVEOVLVRYMY-RKDXNWHRSA-N 1 2 251.359 1.450 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc3ncccc3c2)CC1 ZINC001153769511 937468119 /nfs/dbraw/zinc/46/81/19/937468119.db2.gz XQZBHXLJDNRWHN-UHFFFAOYSA-N 1 2 282.347 1.574 20 30 CDEDLO Cc1noc([C@H](C)[N@H+](C)C[C@@H](O)c2ccc(C#N)cc2)n1 ZINC000844363359 931591637 /nfs/dbraw/zinc/59/16/37/931591637.db2.gz RZCKXKIXFSGNAH-IINYFYTJSA-N 1 2 286.335 1.976 20 30 CDEDLO Cc1noc([C@H](C)[N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)n1 ZINC000844363359 931591641 /nfs/dbraw/zinc/59/16/41/931591641.db2.gz RZCKXKIXFSGNAH-IINYFYTJSA-N 1 2 286.335 1.976 20 30 CDEDLO N#Cc1cncc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)c1 ZINC001144079566 931650313 /nfs/dbraw/zinc/65/03/13/931650313.db2.gz UEVKJMUKNRLWKC-ZDUSSCGKSA-N 1 2 260.316 1.181 20 30 CDEDLO N#Cc1cncc(CN2CC([N@H+]3CC[C@H](F)C3)C2)c1 ZINC001144079566 931650316 /nfs/dbraw/zinc/65/03/16/931650316.db2.gz UEVKJMUKNRLWKC-ZDUSSCGKSA-N 1 2 260.316 1.181 20 30 CDEDLO C=C(C)C(=O)OCCNC(=O)c1cccc2[nH+]ccn21 ZINC001154526561 937553642 /nfs/dbraw/zinc/55/36/42/937553642.db2.gz VVMUMGKWPPVLGN-UHFFFAOYSA-N 1 2 273.292 1.183 20 30 CDEDLO CC(C)Oc1ncc(NC(=[NH2+])c2ccc(C(N)=O)cc2)cn1 ZINC001171260776 932183736 /nfs/dbraw/zinc/18/37/36/932183736.db2.gz NDBLHLMIMKNGSP-UHFFFAOYSA-N 1 2 299.334 1.400 20 30 CDEDLO C#Cc1cccc(C[N@@H+]2C[C@H]3CN(C)C[C@@H](C2)O3)c1 ZINC001276096911 932524849 /nfs/dbraw/zinc/52/48/49/932524849.db2.gz LYNGEFOOGBTPOE-IYBDPMFKSA-N 1 2 256.349 1.183 20 30 CDEDLO C#Cc1cccc(C[N@H+]2C[C@H]3CN(C)C[C@@H](C2)O3)c1 ZINC001276096911 932524852 /nfs/dbraw/zinc/52/48/52/932524852.db2.gz LYNGEFOOGBTPOE-IYBDPMFKSA-N 1 2 256.349 1.183 20 30 CDEDLO Cc1nc(N(C)CCCNC(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001095524854 932689231 /nfs/dbraw/zinc/68/92/31/932689231.db2.gz QVPVDPYKFUDVLA-UHFFFAOYSA-N 1 2 298.350 1.241 20 30 CDEDLO C[C@H](C#N)C(=O)NCCC[NH2+]CC(F)(F)C(F)F ZINC001155849260 937681866 /nfs/dbraw/zinc/68/18/66/937681866.db2.gz WAGIYJDJVQCFHZ-SSDOTTSWSA-N 1 2 269.242 1.142 20 30 CDEDLO C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)Nc1ccc(C#N)nc1 ZINC001119978276 937770180 /nfs/dbraw/zinc/77/01/80/937770180.db2.gz FLSQDWKCEFNEMF-NSHDSACASA-N 1 2 298.350 1.178 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cn(C)nc2C2CC2)nn1 ZINC001120058461 937777434 /nfs/dbraw/zinc/77/74/34/937777434.db2.gz SGZUMGGQVLGVSD-UHFFFAOYSA-N 1 2 272.356 1.365 20 30 CDEDLO C#CCCCC(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]21 ZINC001114537492 934798592 /nfs/dbraw/zinc/79/85/92/934798592.db2.gz GIMVAXUSAMZNMY-QKDCVEJESA-N 1 2 298.390 1.387 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]3COC(=O)N[C@@H]3C2)c1F ZINC001413018042 935172778 /nfs/dbraw/zinc/17/27/78/935172778.db2.gz VHBHHNYAJSWQJE-QWHCGFSZSA-N 1 2 289.310 1.628 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC[C@H]3COC(=O)N[C@@H]3C2)c1F ZINC001413018042 935172781 /nfs/dbraw/zinc/17/27/81/935172781.db2.gz VHBHHNYAJSWQJE-QWHCGFSZSA-N 1 2 289.310 1.628 20 30 CDEDLO C=C[C@H](O)C[N@@H+]1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC001253579515 935252192 /nfs/dbraw/zinc/25/21/92/935252192.db2.gz QVOZYXWURMWXFF-GXTWGEPZSA-N 1 2 281.377 1.082 20 30 CDEDLO C=C[C@H](O)C[N@H+]1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC001253579515 935252194 /nfs/dbraw/zinc/25/21/94/935252194.db2.gz QVOZYXWURMWXFF-GXTWGEPZSA-N 1 2 281.377 1.082 20 30 CDEDLO CCC[N@@H+]1CCc2c([nH]nc2C(=O)NC2(C#N)CCC2)C1 ZINC001278193046 945088616 /nfs/dbraw/zinc/08/86/16/945088616.db2.gz QXTCHMWVGLMVPT-UHFFFAOYSA-N 1 2 287.367 1.354 20 30 CDEDLO CCC[N@H+]1CCc2c([nH]nc2C(=O)NC2(C#N)CCC2)C1 ZINC001278193046 945088622 /nfs/dbraw/zinc/08/86/22/945088622.db2.gz QXTCHMWVGLMVPT-UHFFFAOYSA-N 1 2 287.367 1.354 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)n2cccn2)C1 ZINC001010286822 935451144 /nfs/dbraw/zinc/45/11/44/935451144.db2.gz OXHQBMBOYGHFQV-NEPJUHHUSA-N 1 2 282.775 1.387 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)n2cccn2)C1 ZINC001010286822 935451148 /nfs/dbraw/zinc/45/11/48/935451148.db2.gz OXHQBMBOYGHFQV-NEPJUHHUSA-N 1 2 282.775 1.387 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cncs2)C1 ZINC001014819904 935552427 /nfs/dbraw/zinc/55/24/27/935552427.db2.gz HUQCFHPKWXEDAV-SNVBAGLBSA-N 1 2 285.800 1.629 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cncs2)C1 ZINC001014819904 935552431 /nfs/dbraw/zinc/55/24/31/935552431.db2.gz HUQCFHPKWXEDAV-SNVBAGLBSA-N 1 2 285.800 1.629 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(CC)c1C ZINC001038616356 935750366 /nfs/dbraw/zinc/75/03/66/935750366.db2.gz JBCOVYOWDQCCIR-CYBMUJFWSA-N 1 2 259.353 1.254 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(CC)c1C ZINC001038616356 935750368 /nfs/dbraw/zinc/75/03/68/935750368.db2.gz JBCOVYOWDQCCIR-CYBMUJFWSA-N 1 2 259.353 1.254 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(C)c1C1CC1 ZINC001039074943 935767043 /nfs/dbraw/zinc/76/70/43/935767043.db2.gz PPQADVCUYBFKBL-CYBMUJFWSA-N 1 2 286.379 1.125 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(C)c1C1CC1 ZINC001039074943 935767046 /nfs/dbraw/zinc/76/70/46/935767046.db2.gz PPQADVCUYBFKBL-CYBMUJFWSA-N 1 2 286.379 1.125 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc3occc3[nH]2)C1 ZINC001042825484 935830216 /nfs/dbraw/zinc/83/02/16/935830216.db2.gz OUBXSBGUKNEPES-UHFFFAOYSA-N 1 2 271.320 1.540 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2cc(CC)nn2C)C1 ZINC001043417104 935838653 /nfs/dbraw/zinc/83/86/53/935838653.db2.gz JHWMUFGWHXNQMQ-UHFFFAOYSA-N 1 2 290.411 1.244 20 30 CDEDLO Cc1nc(N2CCC[C@H](NC(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001096177046 935997092 /nfs/dbraw/zinc/99/70/92/935997092.db2.gz LBVKFFGBGMXDPT-AWEZNQCLSA-N 1 2 286.379 1.529 20 30 CDEDLO COc1ccc(NC(=O)[C@H](C)n2cc[nH+]c2)cc1C#N ZINC001413435376 936037819 /nfs/dbraw/zinc/03/78/19/936037819.db2.gz ZPOGAEHRJBCEBP-JTQLQIEISA-N 1 2 270.292 1.963 20 30 CDEDLO Cc1nc(N[C@H]2CCN(C(=O)C#CC(C)(C)C)C2)cc[nH+]1 ZINC001096935653 936241374 /nfs/dbraw/zinc/24/13/74/936241374.db2.gz MKHLBUVMRXSQCC-ZDUSSCGKSA-N 1 2 286.379 1.847 20 30 CDEDLO C=C(C)CCC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001120689696 937826262 /nfs/dbraw/zinc/82/62/62/937826262.db2.gz STVCULOQBCKAMM-UHFFFAOYSA-N 1 2 292.383 1.510 20 30 CDEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)OC ZINC001122440621 937932107 /nfs/dbraw/zinc/93/21/07/937932107.db2.gz GPQRUOJFENHUCJ-LLVKDONJSA-N 1 2 265.361 1.619 20 30 CDEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(C)OC ZINC001122440621 937932108 /nfs/dbraw/zinc/93/21/08/937932108.db2.gz GPQRUOJFENHUCJ-LLVKDONJSA-N 1 2 265.361 1.619 20 30 CDEDLO CC(=O)N1CCC[C@@H](N(C)c2[nH+]ccc3[nH]cc(C#N)c32)C1 ZINC001157409775 938488930 /nfs/dbraw/zinc/48/89/30/938488930.db2.gz AXZLNMYXBIXBCO-CYBMUJFWSA-N 1 2 297.362 1.882 20 30 CDEDLO CC(C)[NH+]1CC(Nc2ncnc(Cl)c2C#N)C1 ZINC001157525488 938504732 /nfs/dbraw/zinc/50/47/32/938504732.db2.gz CNIZMWDFVQZZIW-UHFFFAOYSA-N 1 2 251.721 1.506 20 30 CDEDLO Cc1ccc(C(=NO)Nc2cc(N(C)C)[nH+]c(C)n2)nc1 ZINC001158496407 938630625 /nfs/dbraw/zinc/63/06/25/938630625.db2.gz ZKYZBXHPAWWBFH-UHFFFAOYSA-N 1 2 286.339 1.802 20 30 CDEDLO Cc1cc(N(C(N)=[NH2+])c2cc(CC#N)ccn2)[nH]n1 ZINC001163509438 939278866 /nfs/dbraw/zinc/27/88/66/939278866.db2.gz ISQYHWPCEXGWLL-UHFFFAOYSA-N 1 2 255.285 1.211 20 30 CDEDLO C[C@@H]1CCN(c2[nH+]ccc3[nH]cc(C#N)c32)C[C@H]1O ZINC001164273422 939443653 /nfs/dbraw/zinc/44/36/53/939443653.db2.gz OXGVQRYRCPUKLV-BXKDBHETSA-N 1 2 256.309 1.642 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001164641130 939500797 /nfs/dbraw/zinc/50/07/97/939500797.db2.gz GESMZDDHKFCKBX-SNVBAGLBSA-N 1 2 283.291 1.445 20 30 CDEDLO COc1cccc2ccc(N3CC[NH2+]C[C@H]3C#N)nc21 ZINC001164641625 939501223 /nfs/dbraw/zinc/50/12/23/939501223.db2.gz NICHCHPZLQCQHE-GFCCVEGCSA-N 1 2 268.320 1.545 20 30 CDEDLO CC1(C)C(=O)NCCN1c1[nH+]ccc2ccc(C#N)cc21 ZINC001166605677 939618789 /nfs/dbraw/zinc/61/87/89/939618789.db2.gz NIBRVMWRDVHRAU-UHFFFAOYSA-N 1 2 280.331 1.821 20 30 CDEDLO N#CCc1cc[nH+]c(N2CCC[C@@H](n3cncn3)C2)c1 ZINC001166915699 939648915 /nfs/dbraw/zinc/64/89/15/939648915.db2.gz MXCWMFLJTDCQCA-CYBMUJFWSA-N 1 2 268.324 1.581 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3=O)cc1 ZINC001203907390 939713230 /nfs/dbraw/zinc/71/32/30/939713230.db2.gz YSBDUNYJJKQGHQ-OKILXGFUSA-N 1 2 256.305 1.206 20 30 CDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)C3=O)cc1 ZINC001203907390 939713232 /nfs/dbraw/zinc/71/32/32/939713232.db2.gz YSBDUNYJJKQGHQ-OKILXGFUSA-N 1 2 256.305 1.206 20 30 CDEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CCCO1 ZINC001205502426 939894109 /nfs/dbraw/zinc/89/41/09/939894109.db2.gz VRTZCQXWOISFNY-CQSZACIVSA-N 1 2 292.310 1.461 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CCCO1 ZINC001205502426 939894114 /nfs/dbraw/zinc/89/41/14/939894114.db2.gz VRTZCQXWOISFNY-CQSZACIVSA-N 1 2 292.310 1.461 20 30 CDEDLO Cc1conc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C1 ZINC001206947417 940116255 /nfs/dbraw/zinc/11/62/55/940116255.db2.gz TYYUDDQRJVXQHD-TZMCWYRMSA-N 1 2 289.379 1.579 20 30 CDEDLO Cc1conc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C1 ZINC001206947417 940116257 /nfs/dbraw/zinc/11/62/57/940116257.db2.gz TYYUDDQRJVXQHD-TZMCWYRMSA-N 1 2 289.379 1.579 20 30 CDEDLO Cn1cc(CN2CC([N@@H+]3CCOC(C)(C)C3)C2)cc1C#N ZINC001207108379 940150948 /nfs/dbraw/zinc/15/09/48/940150948.db2.gz AMRLGPQZHGHLGQ-UHFFFAOYSA-N 1 2 288.395 1.192 20 30 CDEDLO Cn1cc(CN2CC([N@H+]3CCOC(C)(C)C3)C2)cc1C#N ZINC001207108379 940150951 /nfs/dbraw/zinc/15/09/51/940150951.db2.gz AMRLGPQZHGHLGQ-UHFFFAOYSA-N 1 2 288.395 1.192 20 30 CDEDLO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC001207109553 940151749 /nfs/dbraw/zinc/15/17/49/940151749.db2.gz NPTVWFJCHWICDT-FZMZJTMJSA-N 1 2 277.368 1.916 20 30 CDEDLO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC001207109553 940151752 /nfs/dbraw/zinc/15/17/52/940151752.db2.gz NPTVWFJCHWICDT-FZMZJTMJSA-N 1 2 277.368 1.916 20 30 CDEDLO C=C(C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001208252577 940311997 /nfs/dbraw/zinc/31/19/97/940311997.db2.gz LUXQYQMELZFXOJ-CYBMUJFWSA-N 1 2 292.383 1.815 20 30 CDEDLO COC(=O)[C@@H](C)C[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001208715682 940371801 /nfs/dbraw/zinc/37/18/01/940371801.db2.gz UAJXFKGBWHIVKM-WCBMZHEXSA-N 1 2 255.339 1.070 20 30 CDEDLO COC(=O)[C@@H](C)C[N@H+]1CCC2SC(=O)C=C2C1 ZINC001208715682 940371802 /nfs/dbraw/zinc/37/18/02/940371802.db2.gz UAJXFKGBWHIVKM-WCBMZHEXSA-N 1 2 255.339 1.070 20 30 CDEDLO COC(=O)[C@@H](C)C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001208715682 940371804 /nfs/dbraw/zinc/37/18/04/940371804.db2.gz UAJXFKGBWHIVKM-WCBMZHEXSA-N 1 2 255.339 1.070 20 30 CDEDLO COC(=O)[C@@H](C)C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001208715682 940371805 /nfs/dbraw/zinc/37/18/05/940371805.db2.gz UAJXFKGBWHIVKM-WCBMZHEXSA-N 1 2 255.339 1.070 20 30 CDEDLO C=CCCC[NH+]1CC2(C1)[C@@H](CF)CCS2(=O)=O ZINC001209162915 940441836 /nfs/dbraw/zinc/44/18/36/940441836.db2.gz ORATUTUYFRKEEI-LLVKDONJSA-N 1 2 261.362 1.411 20 30 CDEDLO C#Cc1cc(Nc2ccc(N)c([N+](=O)[O-])c2)cc[nH+]1 ZINC001209931809 940652298 /nfs/dbraw/zinc/65/22/98/940652298.db2.gz FJTFLDPHJJNACP-UHFFFAOYSA-N 1 2 254.249 1.719 20 30 CDEDLO C#Cc1cc(NC2=CCN(C(=O)C3CC3)CC2)cc[nH+]1 ZINC001211178927 940737414 /nfs/dbraw/zinc/73/74/14/940737414.db2.gz NKJYIERPJPJERZ-UHFFFAOYSA-N 1 2 267.332 1.423 20 30 CDEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2O)CC1 ZINC001220292239 941433875 /nfs/dbraw/zinc/43/38/75/941433875.db2.gz RJMUXBIOMAUQFX-FTBGMHHGSA-N 1 2 298.814 1.647 20 30 CDEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]2O)CC1 ZINC001220292239 941433876 /nfs/dbraw/zinc/43/38/76/941433876.db2.gz RJMUXBIOMAUQFX-FTBGMHHGSA-N 1 2 298.814 1.647 20 30 CDEDLO O=C1C=C[C@@H](OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001224961334 941809760 /nfs/dbraw/zinc/80/97/60/941809760.db2.gz OVLZMBLVFFNTOL-IAGOWNOFSA-N 1 2 287.359 1.802 20 30 CDEDLO O=C1C=C[C@@H](OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001224961334 941809763 /nfs/dbraw/zinc/80/97/63/941809763.db2.gz OVLZMBLVFFNTOL-IAGOWNOFSA-N 1 2 287.359 1.802 20 30 CDEDLO Cc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c(C)n1 ZINC001225434535 941858672 /nfs/dbraw/zinc/85/86/72/941858672.db2.gz ZJDPAGJKXBHTLJ-KYFMZXIUSA-N 1 2 260.337 1.690 20 30 CDEDLO Cc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c(C)n1 ZINC001225434535 941858677 /nfs/dbraw/zinc/85/86/77/941858677.db2.gz ZJDPAGJKXBHTLJ-KYFMZXIUSA-N 1 2 260.337 1.690 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3c(F)cccc3C#N)[C@H]1CC(=O)C2 ZINC001227287224 942163364 /nfs/dbraw/zinc/16/33/64/942163364.db2.gz HDQDBKAKMTUSDB-ZLKJLUDKSA-N 1 2 274.295 1.880 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3c(F)cccc3C#N)[C@H]1CC(=O)C2 ZINC001227287224 942163367 /nfs/dbraw/zinc/16/33/67/942163367.db2.gz HDQDBKAKMTUSDB-ZLKJLUDKSA-N 1 2 274.295 1.880 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4c(c3)OCO4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227299284 942165314 /nfs/dbraw/zinc/16/53/14/942165314.db2.gz QDTDRXZBZYFMRF-RBRDRRMGSA-N 1 2 275.304 1.407 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4c(c3)OCO4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227299284 942165318 /nfs/dbraw/zinc/16/53/18/942165318.db2.gz QDTDRXZBZYFMRF-RBRDRRMGSA-N 1 2 275.304 1.407 20 30 CDEDLO C=CCCCC(=O)NC1CC[NH+](Cc2nnc(C)o2)CC1 ZINC001228927818 942395713 /nfs/dbraw/zinc/39/57/13/942395713.db2.gz LHCKFAVRBWKQDT-UHFFFAOYSA-N 1 2 292.383 1.815 20 30 CDEDLO Cc1cc(Cl)c(C#N)c(OC[C@H]2C[N@H+](C)CCO2)n1 ZINC001230183370 942588804 /nfs/dbraw/zinc/58/88/04/942588804.db2.gz MHVRIMDLQBSVQO-SNVBAGLBSA-N 1 2 281.743 1.625 20 30 CDEDLO Cc1cc(Cl)c(C#N)c(OC[C@H]2C[N@@H+](C)CCO2)n1 ZINC001230183370 942588810 /nfs/dbraw/zinc/58/88/10/942588810.db2.gz MHVRIMDLQBSVQO-SNVBAGLBSA-N 1 2 281.743 1.625 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccoc1C ZINC001230702964 942679016 /nfs/dbraw/zinc/67/90/16/942679016.db2.gz QUPBWXVYLQAMFL-CQSZACIVSA-N 1 2 290.363 1.384 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccoc1C ZINC001230702964 942679018 /nfs/dbraw/zinc/67/90/18/942679018.db2.gz QUPBWXVYLQAMFL-CQSZACIVSA-N 1 2 290.363 1.384 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC(C)(C)C ZINC001231112268 942787921 /nfs/dbraw/zinc/78/79/21/942787921.db2.gz AURKQJQSLWTLNO-CYBMUJFWSA-N 1 2 295.427 1.400 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC(C)(C)C ZINC001231112268 942787927 /nfs/dbraw/zinc/78/79/27/942787927.db2.gz AURKQJQSLWTLNO-CYBMUJFWSA-N 1 2 295.427 1.400 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@H]2CN(C)C(=O)[C@@H](C)C#N)on1 ZINC001231247519 942832771 /nfs/dbraw/zinc/83/27/71/942832771.db2.gz OKXFFIHWIBRKHR-JQWIXIFHSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@H]2CN(C)C(=O)[C@@H](C)C#N)on1 ZINC001231247519 942832782 /nfs/dbraw/zinc/83/27/82/942832782.db2.gz OKXFFIHWIBRKHR-JQWIXIFHSA-N 1 2 276.340 1.175 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)CCC ZINC001231313435 942853067 /nfs/dbraw/zinc/85/30/67/942853067.db2.gz YLNOIRKSCWODBP-KGLIPLIRSA-N 1 2 295.427 1.258 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)CCC ZINC001231313435 942853072 /nfs/dbraw/zinc/85/30/72/942853072.db2.gz YLNOIRKSCWODBP-KGLIPLIRSA-N 1 2 295.427 1.258 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnc(OC)cc2C)CC1 ZINC001232352415 943238211 /nfs/dbraw/zinc/23/82/11/943238211.db2.gz BOOGXRZSWDLHDU-UHFFFAOYSA-N 1 2 259.353 1.149 20 30 CDEDLO C#CCN1CC[NH+](Cc2cnc(OC)cc2C)CC1 ZINC001232352415 943238214 /nfs/dbraw/zinc/23/82/14/943238214.db2.gz BOOGXRZSWDLHDU-UHFFFAOYSA-N 1 2 259.353 1.149 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC001232925309 943436650 /nfs/dbraw/zinc/43/66/50/943436650.db2.gz AZEFNTIBVIJNQF-ZDUSSCGKSA-N 1 2 258.325 1.006 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cccc(C#N)n1 ZINC001232925309 943436651 /nfs/dbraw/zinc/43/66/51/943436651.db2.gz AZEFNTIBVIJNQF-ZDUSSCGKSA-N 1 2 258.325 1.006 20 30 CDEDLO CN(C)c1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c(F)c1C#N ZINC001233097593 943489547 /nfs/dbraw/zinc/48/95/47/943489547.db2.gz WVZDVYCQXOOPQJ-OCCSQVGLSA-N 1 2 295.333 1.668 20 30 CDEDLO CN(C)c1ccc(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)c(F)c1C#N ZINC001233097593 943489550 /nfs/dbraw/zinc/48/95/50/943489550.db2.gz WVZDVYCQXOOPQJ-OCCSQVGLSA-N 1 2 295.333 1.668 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cc1O)[C@H]1CC[C@H](O)CC1 ZINC001233384273 943572052 /nfs/dbraw/zinc/57/20/52/943572052.db2.gz PDALYXILHOTDRP-HDJSIYSDSA-N 1 2 260.337 1.999 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cc1O)[C@H]1CC[C@H](O)CC1 ZINC001233384273 943572055 /nfs/dbraw/zinc/57/20/55/943572055.db2.gz PDALYXILHOTDRP-HDJSIYSDSA-N 1 2 260.337 1.999 20 30 CDEDLO C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C#N)cc3[O-])C2)C1 ZINC001233386945 943573492 /nfs/dbraw/zinc/57/34/92/943573492.db2.gz OISHBUJCBHZEQA-MRXNPFEDSA-N 1 2 271.364 1.791 20 30 CDEDLO C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C#N)cc3[O-])C2)C1 ZINC001233386945 943573493 /nfs/dbraw/zinc/57/34/93/943573493.db2.gz OISHBUJCBHZEQA-MRXNPFEDSA-N 1 2 271.364 1.791 20 30 CDEDLO C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(C#N)cc3[O-])C2)C1 ZINC001233386945 943573495 /nfs/dbraw/zinc/57/34/95/943573495.db2.gz OISHBUJCBHZEQA-MRXNPFEDSA-N 1 2 271.364 1.791 20 30 CDEDLO C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(C#N)cc3[O-])C2)C1 ZINC001233386945 943573497 /nfs/dbraw/zinc/57/34/97/943573497.db2.gz OISHBUJCBHZEQA-MRXNPFEDSA-N 1 2 271.364 1.791 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cncn1C ZINC001233966516 943703859 /nfs/dbraw/zinc/70/38/59/943703859.db2.gz NDIGWJQOJSUHJZ-CQSZACIVSA-N 1 2 288.395 1.256 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cncn1C ZINC001233966516 943703863 /nfs/dbraw/zinc/70/38/63/943703863.db2.gz NDIGWJQOJSUHJZ-CQSZACIVSA-N 1 2 288.395 1.256 20 30 CDEDLO Cc1nccnc1C[N@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234187501 943769499 /nfs/dbraw/zinc/76/94/99/943769499.db2.gz ZDLUADVZWVHJLP-HNNXBMFYSA-N 1 2 298.390 1.231 20 30 CDEDLO Cc1nccnc1C[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234187501 943769502 /nfs/dbraw/zinc/76/95/02/943769502.db2.gz ZDLUADVZWVHJLP-HNNXBMFYSA-N 1 2 298.390 1.231 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1nc(COC)no1 ZINC001235491825 944172346 /nfs/dbraw/zinc/17/23/46/944172346.db2.gz SUPQQHXTPWXIBH-UHFFFAOYSA-N 1 2 296.371 1.120 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1nc(COC)no1 ZINC001235491825 944172349 /nfs/dbraw/zinc/17/23/49/944172349.db2.gz SUPQQHXTPWXIBH-UHFFFAOYSA-N 1 2 296.371 1.120 20 30 CDEDLO C=CCOCC(=O)NCCC[N@@H+](C)C/C(Cl)=C/Cl ZINC001235699510 944255523 /nfs/dbraw/zinc/25/55/23/944255523.db2.gz XQIKRXNYGIXUSC-FLIBITNWSA-N 1 2 295.210 1.946 20 30 CDEDLO C=CCOCC(=O)NCCC[N@H+](C)C/C(Cl)=C/Cl ZINC001235699510 944255530 /nfs/dbraw/zinc/25/55/30/944255530.db2.gz XQIKRXNYGIXUSC-FLIBITNWSA-N 1 2 295.210 1.946 20 30 CDEDLO Cn1cc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)c2cc(C#N)ccc21 ZINC001237467529 944797243 /nfs/dbraw/zinc/79/72/43/944797243.db2.gz WNDNJRDUTSMZRC-DZGCQCFKSA-N 1 2 273.311 1.565 20 30 CDEDLO Cn1cc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)c2cc(C#N)ccc21 ZINC001237467529 944797252 /nfs/dbraw/zinc/79/72/52/944797252.db2.gz WNDNJRDUTSMZRC-DZGCQCFKSA-N 1 2 273.311 1.565 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)ccn1 ZINC001237466756 944797649 /nfs/dbraw/zinc/79/76/49/944797649.db2.gz QMYGTBYRNZWLQE-CQSZACIVSA-N 1 2 272.308 1.028 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)ccn1 ZINC001237466756 944797653 /nfs/dbraw/zinc/79/76/53/944797653.db2.gz QMYGTBYRNZWLQE-CQSZACIVSA-N 1 2 272.308 1.028 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC001238086500 945053406 /nfs/dbraw/zinc/05/34/06/945053406.db2.gz IROCTFMTLNFQHD-UHFFFAOYSA-N 1 2 273.767 1.962 20 30 CDEDLO CCS(=O)(=O)c1cnc(C[NH2+][C@H]2CC[C@H](C#N)C2)nc1 ZINC001254645265 947567281 /nfs/dbraw/zinc/56/72/81/947567281.db2.gz BEKRUTOSXQEDKW-QWRGUYRKSA-N 1 2 294.380 1.052 20 30 CDEDLO CCOC(=O)N1CC[C@H]([N@@H+]2CC[C@](C)(C#N)C2)C1 ZINC001256046536 948182182 /nfs/dbraw/zinc/18/21/82/948182182.db2.gz UZPHTAZGHNPABE-WCQYABFASA-N 1 2 251.330 1.453 20 30 CDEDLO CCOC(=O)N1CC[C@H]([N@H+]2CC[C@](C)(C#N)C2)C1 ZINC001256046536 948182188 /nfs/dbraw/zinc/18/21/88/948182188.db2.gz UZPHTAZGHNPABE-WCQYABFASA-N 1 2 251.330 1.453 20 30 CDEDLO CC(=O)OC[C@H]([NH3+])c1nc(-c2cc(C#N)ccc2F)no1 ZINC001247695567 948706492 /nfs/dbraw/zinc/70/64/92/948706492.db2.gz XQLIBAQIWAEDJY-NSHDSACASA-N 1 2 290.254 1.310 20 30 CDEDLO C=CC[C@@H]([NH2+][C@@H](C)CCC(=O)OCC)C(=O)OC ZINC001258479779 948871617 /nfs/dbraw/zinc/87/16/17/948871617.db2.gz LSIICKFWJJQRND-WDEREUQCSA-N 1 2 257.330 1.426 20 30 CDEDLO CCc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](CO)C1 ZINC001248748402 949119185 /nfs/dbraw/zinc/11/91/85/949119185.db2.gz IGOIHJNUCLJLRM-HNNXBMFYSA-N 1 2 260.337 1.314 20 30 CDEDLO CCc1cc(C#N)ccc1C[N@H+]1CCO[C@H](CO)C1 ZINC001248748402 949119198 /nfs/dbraw/zinc/11/91/98/949119198.db2.gz IGOIHJNUCLJLRM-HNNXBMFYSA-N 1 2 260.337 1.314 20 30 CDEDLO C#Cc1cc(Nc2cc([N+](=O)[O-])cnc2C)cc[nH+]1 ZINC001248747435 949121591 /nfs/dbraw/zinc/12/15/91/949121591.db2.gz XWZZPTLOZQWWDK-UHFFFAOYSA-N 1 2 254.249 1.840 20 30 CDEDLO C[C@]1(O)COCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC001249681618 949752632 /nfs/dbraw/zinc/75/26/32/949752632.db2.gz YACRXRZWFAXRHL-CQSZACIVSA-N 1 2 264.300 1.281 20 30 CDEDLO C[C@]1(O)COCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC001249681618 949752645 /nfs/dbraw/zinc/75/26/45/949752645.db2.gz YACRXRZWFAXRHL-CQSZACIVSA-N 1 2 264.300 1.281 20 30 CDEDLO C=CCOC[C@H](O)CNc1cc[nH+]c(OCCOC)c1 ZINC001252460834 951304511 /nfs/dbraw/zinc/30/45/11/951304511.db2.gz HQLCDWGARDPKSM-CYBMUJFWSA-N 1 2 282.340 1.082 20 30 CDEDLO C=CCOC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccncc2)C1 ZINC001252471378 951324337 /nfs/dbraw/zinc/32/43/37/951324337.db2.gz WZIWIDMJXJFCHQ-GJZGRUSLSA-N 1 2 278.352 1.018 20 30 CDEDLO C=CCOC[C@@H](O)C[N@H+]1CCO[C@H](c2ccncc2)C1 ZINC001252471378 951324350 /nfs/dbraw/zinc/32/43/50/951324350.db2.gz WZIWIDMJXJFCHQ-GJZGRUSLSA-N 1 2 278.352 1.018 20 30 CDEDLO C=C[C@](C)(O)C[NH2+]Cc1noc(C(F)(F)F)n1 ZINC001252574010 951467503 /nfs/dbraw/zinc/46/75/03/951467503.db2.gz KHUYKPGSQNZNIJ-QMMMGPOBSA-N 1 2 251.208 1.115 20 30 CDEDLO C=C[C@H](O)C[N@@H+]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC001253584642 951974288 /nfs/dbraw/zinc/97/42/88/951974288.db2.gz PFSVOXTXCKBWMN-ZETCQYMHSA-N 1 2 261.247 1.334 20 30 CDEDLO C=C[C@H](O)C[N@H+]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC001253584642 951974295 /nfs/dbraw/zinc/97/42/95/951974295.db2.gz PFSVOXTXCKBWMN-ZETCQYMHSA-N 1 2 261.247 1.334 20 30 CDEDLO C=C[C@H](O)CN1CC[C@@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001253587832 951979347 /nfs/dbraw/zinc/97/93/47/951979347.db2.gz PCRLLSFXBHKMTO-QWHCGFSZSA-N 1 2 274.355 1.729 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1occ2c1CCOC2 ZINC001492359143 955826594 /nfs/dbraw/zinc/82/65/94/955826594.db2.gz HGMZDTZIBNOMOK-UHFFFAOYSA-N 1 2 298.770 1.766 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1occ2c1CCOC2 ZINC001492359143 955826613 /nfs/dbraw/zinc/82/66/13/955826613.db2.gz HGMZDTZIBNOMOK-UHFFFAOYSA-N 1 2 298.770 1.766 20 30 CDEDLO C#Cc1ccc(NC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC001311302680 956744864 /nfs/dbraw/zinc/74/48/64/956744864.db2.gz NXSJEWUBQPSKKA-UHFFFAOYSA-N 1 2 266.304 1.912 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccnc(OC)n1 ZINC001367524918 958101299 /nfs/dbraw/zinc/10/12/99/958101299.db2.gz WZMAFQUTAWKHST-UHFFFAOYSA-N 1 2 298.774 1.242 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccnc(OC)n1 ZINC001367524918 958101310 /nfs/dbraw/zinc/10/13/10/958101310.db2.gz WZMAFQUTAWKHST-UHFFFAOYSA-N 1 2 298.774 1.242 20 30 CDEDLO N#CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001321087095 959582892 /nfs/dbraw/zinc/58/28/92/959582892.db2.gz IFPFPNKRRYAGMO-CQSZACIVSA-N 1 2 272.352 1.466 20 30 CDEDLO N#CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001321087095 959582898 /nfs/dbraw/zinc/58/28/98/959582898.db2.gz IFPFPNKRRYAGMO-CQSZACIVSA-N 1 2 272.352 1.466 20 30 CDEDLO C=CCn1cnn(C[N@H+]2CC[C@@](C)(C(=O)NC)C2)c1=S ZINC001322496819 960240383 /nfs/dbraw/zinc/24/03/83/960240383.db2.gz APEFQNFQZVTGMW-CYBMUJFWSA-N 1 2 295.412 1.016 20 30 CDEDLO C=CCn1cnn(C[N@@H+]2CC[C@@](C)(C(=O)NC)C2)c1=S ZINC001322496819 960240392 /nfs/dbraw/zinc/24/03/92/960240392.db2.gz APEFQNFQZVTGMW-CYBMUJFWSA-N 1 2 295.412 1.016 20 30 CDEDLO C=C[C@@H](COC)[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC001324017679 961110751 /nfs/dbraw/zinc/11/07/51/961110751.db2.gz ZZJBQFHOWIWBMT-LBPRGKRZSA-N 1 2 258.325 1.558 20 30 CDEDLO C[N@H+](C[C@H](O)c1cccc(C#N)c1)[C@H]1CC(C)(C)OC1=O ZINC001434470710 961466686 /nfs/dbraw/zinc/46/66/86/961466686.db2.gz AGIRUJLAYAMYSX-KBPBESRZSA-N 1 2 288.347 1.618 20 30 CDEDLO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)[C@H]1CC(C)(C)OC1=O ZINC001434470710 961466699 /nfs/dbraw/zinc/46/66/99/961466699.db2.gz AGIRUJLAYAMYSX-KBPBESRZSA-N 1 2 288.347 1.618 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)C(C)C)n2C)CC1 ZINC001338028927 961579589 /nfs/dbraw/zinc/57/95/89/961579589.db2.gz TVGQBJUAQUAWGU-ZDUSSCGKSA-N 1 2 275.400 1.330 20 30 CDEDLO N#C[C@H](NC(=O)CCCn1cc[nH+]c1)C1CCCC1 ZINC001338216105 961694944 /nfs/dbraw/zinc/69/49/44/961694944.db2.gz NQZBKQURHRLXPF-ZDUSSCGKSA-N 1 2 260.341 1.862 20 30 CDEDLO Cc1cc(CNC(=O)c2cccc(C#N)n2)cc(C)[nH+]1 ZINC001436879444 962468325 /nfs/dbraw/zinc/46/83/25/962468325.db2.gz HJAVDENKGXBSGV-UHFFFAOYSA-N 1 2 266.304 1.895 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cc1cc(C)on1 ZINC001437446890 962905149 /nfs/dbraw/zinc/90/51/49/962905149.db2.gz FDPMEYPLQYDHGS-UHFFFAOYSA-N 1 2 271.748 1.326 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cc1cc(C)on1 ZINC001437446890 962905160 /nfs/dbraw/zinc/90/51/60/962905160.db2.gz FDPMEYPLQYDHGS-UHFFFAOYSA-N 1 2 271.748 1.326 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CC1CCOCC1 ZINC001420545282 963041192 /nfs/dbraw/zinc/04/11/92/963041192.db2.gz YFEXSRLTRZMWAZ-GFCCVEGCSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CC1CCOCC1 ZINC001420545282 963041203 /nfs/dbraw/zinc/04/12/03/963041203.db2.gz YFEXSRLTRZMWAZ-GFCCVEGCSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H](C)OCC)C1CC1 ZINC001442979866 965303989 /nfs/dbraw/zinc/30/39/89/965303989.db2.gz GNMQGNZIOPRMNQ-NSHDSACASA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H](C)OCC)C1CC1 ZINC001442979866 965303997 /nfs/dbraw/zinc/30/39/97/965303997.db2.gz GNMQGNZIOPRMNQ-NSHDSACASA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1[nH]cnc1C)C1CC1 ZINC001443064260 965338375 /nfs/dbraw/zinc/33/83/75/965338375.db2.gz KCTCQDIPURKVLZ-UHFFFAOYSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1[nH]cnc1C)C1CC1 ZINC001443064260 965338386 /nfs/dbraw/zinc/33/83/86/965338386.db2.gz KCTCQDIPURKVLZ-UHFFFAOYSA-N 1 2 282.775 1.665 20 30 CDEDLO Cn1c(C#N)ccc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC001443393101 965457883 /nfs/dbraw/zinc/45/78/83/965457883.db2.gz XEOCARVHRSLANB-ZDUSSCGKSA-N 1 2 283.335 1.571 20 30 CDEDLO Cn1c(C#N)ccc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001443393074 965458574 /nfs/dbraw/zinc/45/85/74/965458574.db2.gz XEOCARVHRSLANB-CYBMUJFWSA-N 1 2 283.335 1.571 20 30 CDEDLO CC(C)CC(=O)N1CC[NH+](CCOCCC#N)CC1 ZINC001347641867 965635530 /nfs/dbraw/zinc/63/55/30/965635530.db2.gz JUIHKWRNWWJNPD-UHFFFAOYSA-N 1 2 267.373 1.107 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(CF)CC2)[C@H](O)C1 ZINC001100007195 967194025 /nfs/dbraw/zinc/19/40/25/967194025.db2.gz XIXSRXSALUDINB-WDEREUQCSA-N 1 2 290.766 1.040 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(CF)CC2)[C@H](O)C1 ZINC001100007195 967194031 /nfs/dbraw/zinc/19/40/31/967194031.db2.gz XIXSRXSALUDINB-WDEREUQCSA-N 1 2 290.766 1.040 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001527678859 968720570 /nfs/dbraw/zinc/72/05/70/968720570.db2.gz BCZVLHRWPFIIRG-AWEZNQCLSA-N 1 2 296.459 1.524 20 30 CDEDLO C=CC(C)(C)CNC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001527687078 968722286 /nfs/dbraw/zinc/72/22/86/968722286.db2.gz OZLNKFBHFJNLMO-ZDUSSCGKSA-N 1 2 282.432 1.134 20 30 CDEDLO CCN(CC[NH2+][C@@H](C)c1nnc(C)o1)C(=O)[C@@H](C)C#N ZINC001497362987 973311830 /nfs/dbraw/zinc/31/18/30/973311830.db2.gz XFOUOEBVMAFATK-UWVGGRQHSA-N 1 2 279.344 1.037 20 30 CDEDLO C[C@H](C#N)C(=O)NCC1C[NH+](Cc2ccc(F)cc2F)C1 ZINC001373500678 973468602 /nfs/dbraw/zinc/46/86/02/973468602.db2.gz AJOCDXIYWLPGKZ-SNVBAGLBSA-N 1 2 293.317 1.672 20 30 CDEDLO C=C(Cl)C[NH2+]C1(CNC(=O)CCc2cnn[nH]2)CCC1 ZINC001502000117 974672500 /nfs/dbraw/zinc/67/25/00/974672500.db2.gz VKRHESVRVDQWGG-UHFFFAOYSA-N 1 2 297.790 1.118 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(CCOC)CC2)C1 ZINC001405050337 975608787 /nfs/dbraw/zinc/60/87/87/975608787.db2.gz HTKVKTJOKWXFQT-GFCCVEGCSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(CCOC)CC2)C1 ZINC001405050337 975608792 /nfs/dbraw/zinc/60/87/92/975608792.db2.gz HTKVKTJOKWXFQT-GFCCVEGCSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)COCC)[C@H]1C ZINC001379633172 975973800 /nfs/dbraw/zinc/97/38/00/975973800.db2.gz YRKARHFKMXXCKQ-NEPJUHHUSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)COCC)[C@H]1C ZINC001379633172 975973811 /nfs/dbraw/zinc/97/38/11/975973811.db2.gz YRKARHFKMXXCKQ-NEPJUHHUSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc(CC)n(C)n1 ZINC001406177901 976081654 /nfs/dbraw/zinc/08/16/54/976081654.db2.gz YOQJLFBWIYGNQQ-UHFFFAOYSA-N 1 2 298.818 1.739 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc(CC)n(C)n1 ZINC001406177901 976081667 /nfs/dbraw/zinc/08/16/67/976081667.db2.gz YOQJLFBWIYGNQQ-UHFFFAOYSA-N 1 2 298.818 1.739 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cc1cncc(C)c1 ZINC001399536448 976552086 /nfs/dbraw/zinc/55/20/86/976552086.db2.gz LECFFMPPYULLQV-UHFFFAOYSA-N 1 2 281.787 1.733 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cc1cncc(C)c1 ZINC001399536448 976552097 /nfs/dbraw/zinc/55/20/97/976552097.db2.gz LECFFMPPYULLQV-UHFFFAOYSA-N 1 2 281.787 1.733 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)CCn1cccn1)C1CC1 ZINC001391150278 976727117 /nfs/dbraw/zinc/72/71/17/976727117.db2.gz PYCPHGSOIMQVQQ-UHFFFAOYSA-N 1 2 296.802 1.606 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)CCn1cccn1)C1CC1 ZINC001391150278 976727124 /nfs/dbraw/zinc/72/71/24/976727124.db2.gz PYCPHGSOIMQVQQ-UHFFFAOYSA-N 1 2 296.802 1.606 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cnc2n1CCC2 ZINC001381536224 976897057 /nfs/dbraw/zinc/89/70/57/976897057.db2.gz ODPBASFGONIMNR-LLVKDONJSA-N 1 2 296.802 1.632 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cnc2n1CCC2 ZINC001381536224 976897066 /nfs/dbraw/zinc/89/70/66/976897066.db2.gz ODPBASFGONIMNR-LLVKDONJSA-N 1 2 296.802 1.632 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cc(CC)nn1C ZINC001394130296 978080163 /nfs/dbraw/zinc/08/01/63/978080163.db2.gz UNRNUNCOLBHCEZ-LLVKDONJSA-N 1 2 298.818 1.785 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cc(CC)nn1C ZINC001394130296 978080166 /nfs/dbraw/zinc/08/01/66/978080166.db2.gz UNRNUNCOLBHCEZ-LLVKDONJSA-N 1 2 298.818 1.785 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001132217696 1163204061 /nfs/dbraw/zinc/20/40/61/1163204061.db2.gz FVHCVZUIYOQEBW-VXGBXAGGSA-N 1 2 281.400 1.043 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001132217696 1163204068 /nfs/dbraw/zinc/20/40/68/1163204068.db2.gz FVHCVZUIYOQEBW-VXGBXAGGSA-N 1 2 281.400 1.043 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001132308761 1163237472 /nfs/dbraw/zinc/23/74/72/1163237472.db2.gz RLDQNSPIYNMINU-SNVBAGLBSA-N 1 2 280.372 1.747 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001133154301 1163586075 /nfs/dbraw/zinc/58/60/75/1163586075.db2.gz FRCJBAPQVUZGGS-UHFFFAOYSA-N 1 2 262.357 1.347 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H](O)C1 ZINC001090506843 1163609975 /nfs/dbraw/zinc/60/99/75/1163609975.db2.gz LWQVSPMZRGJVJI-HTOAHKCRSA-N 1 2 298.814 1.336 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H](O)C1 ZINC001090506843 1163609979 /nfs/dbraw/zinc/60/99/79/1163609979.db2.gz LWQVSPMZRGJVJI-HTOAHKCRSA-N 1 2 298.814 1.336 20 30 CDEDLO N#CCC1C[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001592674071 1173965740 /nfs/dbraw/zinc/96/57/40/1173965740.db2.gz ZIRAABCXJMWORQ-UHFFFAOYSA-N 1 2 272.287 1.351 20 30 CDEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2c[nH]nn2)C1 ZINC001574883231 1171038430 /nfs/dbraw/zinc/03/84/30/1171038430.db2.gz PLOZTLCVMYTLBG-JOCQHMNTSA-N 1 2 289.383 1.125 20 30 CDEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cn[nH]n2)C1 ZINC001574883231 1171038438 /nfs/dbraw/zinc/03/84/38/1171038438.db2.gz PLOZTLCVMYTLBG-JOCQHMNTSA-N 1 2 289.383 1.125 20 30 CDEDLO N#Cc1cccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)n1 ZINC000589380272 342504959 /nfs/dbraw/zinc/50/49/59/342504959.db2.gz IUGKUKFQNCPPJI-UHFFFAOYSA-N 1 2 280.287 1.252 20 30 CDEDLO N#Cc1cc(C(=O)N2CCc3[nH]c[nH+]c3C2)ccc1F ZINC000590552976 342576464 /nfs/dbraw/zinc/57/64/64/342576464.db2.gz QZIZULDOISDOJO-UHFFFAOYSA-N 1 2 270.267 1.619 20 30 CDEDLO N#Cc1cc(C(=O)N2CCc3[nH+]c[nH]c3C2)ccc1F ZINC000590552976 342576465 /nfs/dbraw/zinc/57/64/65/342576465.db2.gz QZIZULDOISDOJO-UHFFFAOYSA-N 1 2 270.267 1.619 20 30 CDEDLO Cc1cc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)s2)no1 ZINC000122201221 342091191 /nfs/dbraw/zinc/09/11/91/342091191.db2.gz GNCJITHLWJWLLB-UHFFFAOYSA-N 1 2 290.348 1.987 20 30 CDEDLO Cc1cc(NC(=O)C[N@H+](C)Cc2ccc(C#N)s2)no1 ZINC000122201221 342091192 /nfs/dbraw/zinc/09/11/92/342091192.db2.gz GNCJITHLWJWLLB-UHFFFAOYSA-N 1 2 290.348 1.987 20 30 CDEDLO N#CC1(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCC1 ZINC000591393238 342629647 /nfs/dbraw/zinc/62/96/47/342629647.db2.gz QBWLOTSOAXNVDC-ZDUSSCGKSA-N 1 2 299.378 1.653 20 30 CDEDLO COC(=O)[C@@H](c1ccccc1C)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151029 342668864 /nfs/dbraw/zinc/66/88/64/342668864.db2.gz JGSVTTORAUTCOI-ZBFHGGJFSA-N 1 2 288.347 1.560 20 30 CDEDLO COC(=O)[C@@H](c1ccccc1C)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151029 342668865 /nfs/dbraw/zinc/66/88/65/342668865.db2.gz JGSVTTORAUTCOI-ZBFHGGJFSA-N 1 2 288.347 1.560 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000592151185 342668895 /nfs/dbraw/zinc/66/88/95/342668895.db2.gz NVWXIHONZGPVRI-INIZCTEOSA-N 1 2 282.347 1.723 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000592151185 342668896 /nfs/dbraw/zinc/66/88/96/342668896.db2.gz NVWXIHONZGPVRI-INIZCTEOSA-N 1 2 282.347 1.723 20 30 CDEDLO N#Cc1cnn2cc(C[NH+]3CCC(F)(F)CC3)cnc12 ZINC000592511099 342700352 /nfs/dbraw/zinc/70/03/52/342700352.db2.gz SHXGXOGQTKIRSK-UHFFFAOYSA-N 1 2 277.278 1.832 20 30 CDEDLO CCOC(=O)c1cc(C[N@@H+]2CC[C@](O)(CC#N)C2)[nH]c1C ZINC000592523169 342702677 /nfs/dbraw/zinc/70/26/77/342702677.db2.gz WNXXTODFHNQTSY-OAHLLOKOSA-N 1 2 291.351 1.350 20 30 CDEDLO CCOC(=O)c1cc(C[N@H+]2CC[C@](O)(CC#N)C2)[nH]c1C ZINC000592523169 342702678 /nfs/dbraw/zinc/70/26/78/342702678.db2.gz WNXXTODFHNQTSY-OAHLLOKOSA-N 1 2 291.351 1.350 20 30 CDEDLO CCN(CC)C(=O)C[N@H+](C)Cc1cccc(C#N)n1 ZINC000602425872 342164782 /nfs/dbraw/zinc/16/47/82/342164782.db2.gz XHVSMVBLJBWBSP-UHFFFAOYSA-N 1 2 260.341 1.253 20 30 CDEDLO CCN(CC)C(=O)C[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602425872 342164783 /nfs/dbraw/zinc/16/47/83/342164783.db2.gz XHVSMVBLJBWBSP-UHFFFAOYSA-N 1 2 260.341 1.253 20 30 CDEDLO CSC[C@@](C)(C#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000593160369 342771739 /nfs/dbraw/zinc/77/17/39/342771739.db2.gz VWMQZZAZBKTDET-CMPLNLGQSA-N 1 2 266.370 1.596 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccc2c(c1)COC2 ZINC000593154989 342774574 /nfs/dbraw/zinc/77/45/74/342774574.db2.gz WGWGZJYIEUSUEJ-MRXNPFEDSA-N 1 2 287.363 1.219 20 30 CDEDLO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2cccc(C#N)n2)cn1 ZINC000602633569 342184813 /nfs/dbraw/zinc/18/48/13/342184813.db2.gz YROPVCVAELNEDE-HNNXBMFYSA-N 1 2 299.403 1.977 20 30 CDEDLO Cn1cc([C@@H]2CSCC[N@H+]2Cc2cccc(C#N)n2)cn1 ZINC000602633569 342184814 /nfs/dbraw/zinc/18/48/14/342184814.db2.gz YROPVCVAELNEDE-HNNXBMFYSA-N 1 2 299.403 1.977 20 30 CDEDLO CC[C@@H](C#N)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000593404077 342791434 /nfs/dbraw/zinc/79/14/34/342791434.db2.gz UNTPHMDYTIASGV-NSHDSACASA-N 1 2 260.341 1.428 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000593393468 342794451 /nfs/dbraw/zinc/79/44/51/342794451.db2.gz CISXNOGEPJMOAY-GFCCVEGCSA-N 1 2 261.325 1.474 20 30 CDEDLO CC[C@H](C#N)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000593414426 342799200 /nfs/dbraw/zinc/79/92/00/342799200.db2.gz OGUHYUWKSRCQST-MRVPVSSYSA-N 1 2 264.354 1.619 20 30 CDEDLO CC[C@H](C#N)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000593414426 342799201 /nfs/dbraw/zinc/79/92/01/342799201.db2.gz OGUHYUWKSRCQST-MRVPVSSYSA-N 1 2 264.354 1.619 20 30 CDEDLO C[C@H](NC(=O)Cc1c[nH+]cn1C)c1cccc(C#N)c1 ZINC000588627625 342217267 /nfs/dbraw/zinc/21/72/67/342217267.db2.gz BNXNKFDKZZFLFF-NSHDSACASA-N 1 2 268.320 1.712 20 30 CDEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000594286889 342887636 /nfs/dbraw/zinc/88/76/36/342887636.db2.gz DDMKTDUDUHIGHE-LBPRGKRZSA-N 1 2 282.347 1.819 20 30 CDEDLO N#Cc1nccc(N2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000594548500 342916265 /nfs/dbraw/zinc/91/62/65/342916265.db2.gz FLDADVDSTVRFEP-NSHDSACASA-N 1 2 254.297 1.386 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCCc1ccc(C#N)cc1 ZINC000594685997 342941165 /nfs/dbraw/zinc/94/11/65/342941165.db2.gz LQQLTCSKBOBABG-CYBMUJFWSA-N 1 2 297.362 1.685 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2ccc(C(=O)OC)o2)nn1 ZINC000594921323 342987013 /nfs/dbraw/zinc/98/70/13/342987013.db2.gz HLTRJXVQOHJUFK-UHFFFAOYSA-N 1 2 290.323 1.524 20 30 CDEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595474463 343063715 /nfs/dbraw/zinc/06/37/15/343063715.db2.gz UXNPZORJQRIDMW-CABCVRRESA-N 1 2 288.347 1.099 20 30 CDEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595474463 343063717 /nfs/dbraw/zinc/06/37/17/343063717.db2.gz UXNPZORJQRIDMW-CABCVRRESA-N 1 2 288.347 1.099 20 30 CDEDLO C[C@]1(C#N)CCC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000599362530 344026452 /nfs/dbraw/zinc/02/64/52/344026452.db2.gz OYGQYKJUEGMJAE-DOTOQJQBSA-N 1 2 299.374 1.924 20 30 CDEDLO C[C@]1(C#N)CCC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000599362530 344026454 /nfs/dbraw/zinc/02/64/54/344026454.db2.gz OYGQYKJUEGMJAE-DOTOQJQBSA-N 1 2 299.374 1.924 20 30 CDEDLO N#Cc1ccc(CC[N@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000595497186 343077462 /nfs/dbraw/zinc/07/74/62/343077462.db2.gz MFGZOQGAJCEKRB-CQSZACIVSA-N 1 2 297.362 1.804 20 30 CDEDLO C=CCOCC[N@@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000645083228 362104540 /nfs/dbraw/zinc/10/45/40/362104540.db2.gz WCIUEXXCXPHGAO-UHFFFAOYSA-N 1 2 263.341 1.463 20 30 CDEDLO C=CCOCC[N@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000645083228 362104547 /nfs/dbraw/zinc/10/45/47/362104547.db2.gz WCIUEXXCXPHGAO-UHFFFAOYSA-N 1 2 263.341 1.463 20 30 CDEDLO CC(C)CNC(=O)CCC[N@H+]([C@@H](C)C#N)C1CC1 ZINC000595711168 343137414 /nfs/dbraw/zinc/13/74/14/343137414.db2.gz UDXSMIBYIAYKSL-LBPRGKRZSA-N 1 2 251.374 1.915 20 30 CDEDLO CC(C)CNC(=O)CCC[N@@H+]([C@@H](C)C#N)C1CC1 ZINC000595711168 343137416 /nfs/dbraw/zinc/13/74/16/343137416.db2.gz UDXSMIBYIAYKSL-LBPRGKRZSA-N 1 2 251.374 1.915 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1cccc(C#N)c1 ZINC000048978292 342350978 /nfs/dbraw/zinc/35/09/78/342350978.db2.gz NSXYKTOYPZAODZ-LBPRGKRZSA-N 1 2 283.335 1.643 20 30 CDEDLO COC(=O)c1cccc(CN(C)Cc2[nH+]ccn2C)c1C#N ZINC000535051777 282232327 /nfs/dbraw/zinc/23/23/27/282232327.db2.gz ZBGKHIKVUKDTRS-UHFFFAOYSA-N 1 2 298.346 1.710 20 30 CDEDLO COC(=O)[C@@](C)([NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC000081153982 342364783 /nfs/dbraw/zinc/36/47/83/342364783.db2.gz MRKTYKUKLIAYHY-HNNXBMFYSA-N 1 2 258.321 1.990 20 30 CDEDLO N#Cc1nc(N2CC(n3cc[nH+]c3)C2)sc1Cl ZINC000596161264 343256157 /nfs/dbraw/zinc/25/61/57/343256157.db2.gz FXUUOCVTBCWSHP-UHFFFAOYSA-N 1 2 265.729 1.926 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(CO)CC1 ZINC000083175716 342377825 /nfs/dbraw/zinc/37/78/25/342377825.db2.gz FIUJVTKRZQYTAD-HNNXBMFYSA-N 1 2 288.347 1.477 20 30 CDEDLO C[C@@H](O)[C@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000089927507 342394543 /nfs/dbraw/zinc/39/45/43/342394543.db2.gz ZFKBPWKTGYNUCU-PWSUYJOCSA-N 1 2 293.392 1.651 20 30 CDEDLO C[C@@H](O)[C@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000089927507 342394544 /nfs/dbraw/zinc/39/45/44/342394544.db2.gz ZFKBPWKTGYNUCU-PWSUYJOCSA-N 1 2 293.392 1.651 20 30 CDEDLO C[C@@H](O)CNc1cc(N2CCC[C@@H](CC#N)C2)nc[nH+]1 ZINC000596329467 343304410 /nfs/dbraw/zinc/30/44/10/343304410.db2.gz LIWOQAFCAJEKGS-NEPJUHHUSA-N 1 2 275.356 1.399 20 30 CDEDLO C[C@@H](O)CNc1cc(N2CCC[C@@H](CC#N)C2)[nH+]cn1 ZINC000596329467 343304411 /nfs/dbraw/zinc/30/44/11/343304411.db2.gz LIWOQAFCAJEKGS-NEPJUHHUSA-N 1 2 275.356 1.399 20 30 CDEDLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)c1cccc(C#N)c1 ZINC000596931248 343418029 /nfs/dbraw/zinc/41/80/29/343418029.db2.gz OHTPNWYVIXPNCG-CYBMUJFWSA-N 1 2 280.331 1.980 20 30 CDEDLO CC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000151736431 362195552 /nfs/dbraw/zinc/19/55/52/362195552.db2.gz NDUCRJQIYVTZID-UHFFFAOYSA-N 1 2 297.355 1.024 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)NC2CC(C(F)(F)F)C2)C1 ZINC000329238677 529787844 /nfs/dbraw/zinc/78/78/44/529787844.db2.gz LICZFVYAOAURNB-UDNWOFFPSA-N 1 2 295.305 1.162 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)NC2CC(C(F)(F)F)C2)C1 ZINC000329238677 529787845 /nfs/dbraw/zinc/78/78/45/529787845.db2.gz LICZFVYAOAURNB-UDNWOFFPSA-N 1 2 295.305 1.162 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000619716648 349866413 /nfs/dbraw/zinc/86/64/13/349866413.db2.gz ZLOMTIOPXSDQJY-CQSZACIVSA-N 1 2 294.395 1.439 20 30 CDEDLO CN(CC1(O)CCCC1)C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330243890 529855482 /nfs/dbraw/zinc/85/54/82/529855482.db2.gz CVMUBBVWMPDQHA-LBPRGKRZSA-N 1 2 292.383 1.349 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCOCC2(CCCC2)C1 ZINC000619721619 349870998 /nfs/dbraw/zinc/87/09/98/349870998.db2.gz CFPQXJOURODUFT-GFCCVEGCSA-N 1 2 253.342 1.607 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCOCC2(CCCC2)C1 ZINC000619721619 349871002 /nfs/dbraw/zinc/87/10/02/349871002.db2.gz CFPQXJOURODUFT-GFCCVEGCSA-N 1 2 253.342 1.607 20 30 CDEDLO C[C@@H](NC(=O)Cc1ccc(C#N)cc1)c1[nH+]ccn1C ZINC000598459507 343805060 /nfs/dbraw/zinc/80/50/60/343805060.db2.gz HHBCBVBMFKXZFK-LLVKDONJSA-N 1 2 268.320 1.712 20 30 CDEDLO CCC[C@](C)([NH2+]C[C@H](O)CC(C)(C)C#N)C(=O)OC ZINC000598591844 343838176 /nfs/dbraw/zinc/83/81/76/343838176.db2.gz CYCVADRQZULXJS-RISCZKNCSA-N 1 2 270.373 1.609 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000598620090 343844563 /nfs/dbraw/zinc/84/45/63/343844563.db2.gz YFSRQOKTOITGQO-RYUDHWBXSA-N 1 2 277.372 1.632 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000598620090 343844566 /nfs/dbraw/zinc/84/45/66/343844566.db2.gz YFSRQOKTOITGQO-RYUDHWBXSA-N 1 2 277.372 1.632 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N=c1[nH][nH]c(C2CC2)c1C#N ZINC000600827750 349884008 /nfs/dbraw/zinc/88/40/08/349884008.db2.gz WUYVXXIEPCKCHX-NXEZZACHSA-N 1 2 296.334 1.056 20 30 CDEDLO Cc1c(Cl)cnc(NCC[N@H+]2CCOC[C@@H]2C)c1C#N ZINC000612079466 347006176 /nfs/dbraw/zinc/00/61/76/347006176.db2.gz RKTVZLUNEGXMAI-JTQLQIEISA-N 1 2 294.786 1.470 20 30 CDEDLO Cc1c(Cl)cnc(NCC[N@@H+]2CCOC[C@@H]2C)c1C#N ZINC000612079466 347006179 /nfs/dbraw/zinc/00/61/79/347006179.db2.gz RKTVZLUNEGXMAI-JTQLQIEISA-N 1 2 294.786 1.470 20 30 CDEDLO COCc1csc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000598836658 343914886 /nfs/dbraw/zinc/91/48/86/343914886.db2.gz OKKQYLDNJWIMTF-ZDUSSCGKSA-N 1 2 281.381 1.468 20 30 CDEDLO CCn1ncc(Cl)c1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000598837625 343914998 /nfs/dbraw/zinc/91/49/98/343914998.db2.gz XMHICCXBIFZZJC-GFCCVEGCSA-N 1 2 283.763 1.130 20 30 CDEDLO C[N@@H+]1CCOC[C@@H]1CNc1nc2c(cc1C#N)CCC2 ZINC000599159603 343970506 /nfs/dbraw/zinc/97/05/06/343970506.db2.gz ACLBCQVSCFTUFL-ZDUSSCGKSA-N 1 2 272.352 1.184 20 30 CDEDLO C[N@H+]1CCOC[C@@H]1CNc1nc2c(cc1C#N)CCC2 ZINC000599159603 343970509 /nfs/dbraw/zinc/97/05/09/343970509.db2.gz ACLBCQVSCFTUFL-ZDUSSCGKSA-N 1 2 272.352 1.184 20 30 CDEDLO COC(=O)c1cnc(C[N@@H+]2CCC[C@H](CC#N)C2)cn1 ZINC000599467924 344060515 /nfs/dbraw/zinc/06/05/15/344060515.db2.gz BHRXUCFEXLNEQI-LLVKDONJSA-N 1 2 274.324 1.389 20 30 CDEDLO COC(=O)c1cnc(C[N@H+]2CCC[C@H](CC#N)C2)cn1 ZINC000599467924 344060519 /nfs/dbraw/zinc/06/05/19/344060519.db2.gz BHRXUCFEXLNEQI-LLVKDONJSA-N 1 2 274.324 1.389 20 30 CDEDLO CC(C)(C)OC(=O)C(C)(C)[NH2+]CCOCCC#N ZINC000599654353 344104783 /nfs/dbraw/zinc/10/47/83/344104783.db2.gz ZQFZNFVUUBJKIY-UHFFFAOYSA-N 1 2 256.346 1.627 20 30 CDEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@H+](CCC(C)(C)C#N)C1 ZINC000599587899 344093557 /nfs/dbraw/zinc/09/35/57/344093557.db2.gz IAKVDKNKCAQFHB-NEPJUHHUSA-N 1 2 296.367 1.353 20 30 CDEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@@H+](CCC(C)(C)C#N)C1 ZINC000599587899 344093558 /nfs/dbraw/zinc/09/35/58/344093558.db2.gz IAKVDKNKCAQFHB-NEPJUHHUSA-N 1 2 296.367 1.353 20 30 CDEDLO CCN(Cc1cc2c(c[nH+]1)OCCO2)C[C@H](C)C#N ZINC000602446348 344432727 /nfs/dbraw/zinc/43/27/27/344432727.db2.gz CPPYADRDJFIQGW-LLVKDONJSA-N 1 2 261.325 1.834 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1CC1(CC#N)CC1 ZINC000602799167 344589272 /nfs/dbraw/zinc/58/92/72/344589272.db2.gz BIWBGVBKYUGRGB-RYUDHWBXSA-N 1 2 266.341 1.333 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1CC1(CC#N)CC1 ZINC000602799167 344589273 /nfs/dbraw/zinc/58/92/73/344589273.db2.gz BIWBGVBKYUGRGB-RYUDHWBXSA-N 1 2 266.341 1.333 20 30 CDEDLO CCOCc1ccc(CNC(=O)C[NH2+][C@@H](C)CC#N)cc1 ZINC000602860429 344616278 /nfs/dbraw/zinc/61/62/78/344616278.db2.gz DHBABVYABUJWAP-ZDUSSCGKSA-N 1 2 289.379 1.731 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCCC1CCCCC1 ZINC000602860187 344616327 /nfs/dbraw/zinc/61/63/27/344616327.db2.gz BUQMWMNGFQWDFY-GFCCVEGCSA-N 1 2 251.374 1.965 20 30 CDEDLO CCCOc1cccc(CNC(=O)C[NH2+][C@H](C)CC#N)c1 ZINC000602863059 344617985 /nfs/dbraw/zinc/61/79/85/344617985.db2.gz NIYJQMABJXPUJN-CYBMUJFWSA-N 1 2 289.379 1.983 20 30 CDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC1(CC#N)CC1 ZINC000602789190 344601230 /nfs/dbraw/zinc/60/12/30/344601230.db2.gz SOCCIAXRFOHBDU-CYBMUJFWSA-N 1 2 296.378 1.553 20 30 CDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CC1(CC#N)CC1 ZINC000602789190 344601232 /nfs/dbraw/zinc/60/12/32/344601232.db2.gz SOCCIAXRFOHBDU-CYBMUJFWSA-N 1 2 296.378 1.553 20 30 CDEDLO N#CCC1(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000602790939 344601827 /nfs/dbraw/zinc/60/18/27/344601827.db2.gz AHFGVHBILXWGLK-GFCCVEGCSA-N 1 2 268.382 1.332 20 30 CDEDLO N#CCC1(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000602790939 344601831 /nfs/dbraw/zinc/60/18/31/344601831.db2.gz AHFGVHBILXWGLK-GFCCVEGCSA-N 1 2 268.382 1.332 20 30 CDEDLO C[C@]1(C#N)CCC[N@H+](CCN2C(=O)c3ccccc3C2=O)C1 ZINC000612166747 347068427 /nfs/dbraw/zinc/06/84/27/347068427.db2.gz RQSOYAAUBQXYHI-QGZVFWFLSA-N 1 2 297.358 1.908 20 30 CDEDLO C[C@]1(C#N)CCC[N@@H+](CCN2C(=O)c3ccccc3C2=O)C1 ZINC000612166747 347068431 /nfs/dbraw/zinc/06/84/31/347068431.db2.gz RQSOYAAUBQXYHI-QGZVFWFLSA-N 1 2 297.358 1.908 20 30 CDEDLO Cc1ncc(C[N@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)s1 ZINC000052101252 345233574 /nfs/dbraw/zinc/23/35/74/345233574.db2.gz DPLPYARPCFNNSK-CQSZACIVSA-N 1 2 292.408 1.692 20 30 CDEDLO Cc1ncc(C[N@@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)s1 ZINC000052101252 345233576 /nfs/dbraw/zinc/23/35/76/345233576.db2.gz DPLPYARPCFNNSK-CQSZACIVSA-N 1 2 292.408 1.692 20 30 CDEDLO C[N@@H+]1CCOC[C@@H]1CNc1ncc(C#N)c2ccsc21 ZINC000601203086 349926710 /nfs/dbraw/zinc/92/67/10/349926710.db2.gz NZVZWMZHDXBCGF-NSHDSACASA-N 1 2 288.376 1.332 20 30 CDEDLO C[N@H+]1CCOC[C@@H]1CNc1ncc(C#N)c2ccsc21 ZINC000601203086 349926712 /nfs/dbraw/zinc/92/67/12/349926712.db2.gz NZVZWMZHDXBCGF-NSHDSACASA-N 1 2 288.376 1.332 20 30 CDEDLO C=C[C@@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC ZINC000619856041 349938410 /nfs/dbraw/zinc/93/84/10/349938410.db2.gz FZROMPXRRLQFIS-YVECIDJPSA-N 1 2 255.358 1.897 20 30 CDEDLO C=CC[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)C1 ZINC000617783615 345970885 /nfs/dbraw/zinc/97/08/85/345970885.db2.gz CTGWVFVQNNTCBB-HUUCEWRRSA-N 1 2 279.428 1.437 20 30 CDEDLO N#CCn1c(C(=O)NCc2[nH]cc[nH+]2)cc2ccccc21 ZINC000609622407 345980772 /nfs/dbraw/zinc/98/07/72/345980772.db2.gz ASNRVROHQBQNLC-UHFFFAOYSA-N 1 2 279.303 1.818 20 30 CDEDLO N#CCCn1ncc2c1nc[nH+]c2N1C[C@H]2CCC[C@@H]2C1 ZINC000610685466 346354483 /nfs/dbraw/zinc/35/44/83/346354483.db2.gz SYBCBUZETNUFLV-VXGBXAGGSA-N 1 2 282.351 1.976 20 30 CDEDLO COC(=O)c1ccc([C@H](C)[NH+]2CCN(CCC#N)CC2)o1 ZINC000611374072 346772425 /nfs/dbraw/zinc/77/24/25/346772425.db2.gz JMTDHEFLMYURCX-LBPRGKRZSA-N 1 2 291.351 1.658 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000611268546 346730587 /nfs/dbraw/zinc/73/05/87/346730587.db2.gz MBODKBZAERQXFA-NSHDSACASA-N 1 2 281.381 1.792 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000611268546 346730591 /nfs/dbraw/zinc/73/05/91/346730591.db2.gz MBODKBZAERQXFA-NSHDSACASA-N 1 2 281.381 1.792 20 30 CDEDLO COc1ccc(C[NH+]2CCN(CCC#N)CC2)nc1 ZINC000611431993 346782255 /nfs/dbraw/zinc/78/22/55/346782255.db2.gz GOGVREWOLGWJRI-UHFFFAOYSA-N 1 2 260.341 1.121 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000066313206 347480900 /nfs/dbraw/zinc/48/09/00/347480900.db2.gz BCRDSEUTRXZCCE-CYBMUJFWSA-N 1 2 291.395 1.859 20 30 CDEDLO C#CC[NH+]1CCN(c2cnc3ccccc3n2)CC1 ZINC000054056475 347813356 /nfs/dbraw/zinc/81/33/56/347813356.db2.gz MFZONRSFDSVQFR-UHFFFAOYSA-N 1 2 252.321 1.385 20 30 CDEDLO C=C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)C(=O)OC ZINC000619704667 348003684 /nfs/dbraw/zinc/00/36/84/348003684.db2.gz VWBWUHNDLVMYJC-LLVKDONJSA-N 1 2 281.381 1.429 20 30 CDEDLO C=C[C@@H](O)C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000614545844 348140006 /nfs/dbraw/zinc/14/00/06/348140006.db2.gz QYPILJOJKQYFBM-OAHLLOKOSA-N 1 2 285.347 1.843 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)CSCCC(F)(F)F ZINC000414126659 362921207 /nfs/dbraw/zinc/92/12/07/362921207.db2.gz OPPXDDXCGXPJFR-VIFPVBQESA-N 1 2 270.320 1.878 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)CSCCC(F)(F)F ZINC000414126659 362921213 /nfs/dbraw/zinc/92/12/13/362921213.db2.gz OPPXDDXCGXPJFR-VIFPVBQESA-N 1 2 270.320 1.878 20 30 CDEDLO N#CCC1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000615787724 348721930 /nfs/dbraw/zinc/72/19/30/348721930.db2.gz VXKAMOXTPQPRNE-ZDUSSCGKSA-N 1 2 272.352 1.598 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000041789146 348710064 /nfs/dbraw/zinc/71/00/64/348710064.db2.gz CWDAXYARSZHHSW-UHFFFAOYSA-N 1 2 292.766 1.496 20 30 CDEDLO CC(C)(CNC(=O)C1(C#N)CCCCC1)[NH+]1CCOCC1 ZINC000057382910 348836467 /nfs/dbraw/zinc/83/64/67/348836467.db2.gz IYIXBRABIBCWFP-UHFFFAOYSA-N 1 2 293.411 1.687 20 30 CDEDLO Cn1cc(N2CC[NH+](Cc3cccc(C#N)n3)CC2)cn1 ZINC000602469432 350111673 /nfs/dbraw/zinc/11/16/73/350111673.db2.gz SJJVTXVTLLUTMF-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO COCCOc1ccc(CNc2cc(C)[nH+]cc2C#N)nn1 ZINC000603402981 350281220 /nfs/dbraw/zinc/28/12/20/350281220.db2.gz QICDPNFHRLBGQF-UHFFFAOYSA-N 1 2 299.334 1.111 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC23CCC3)cc1 ZINC000081515711 351151137 /nfs/dbraw/zinc/15/11/37/351151137.db2.gz BNQVCQHJUQEYBS-UHFFFAOYSA-N 1 2 290.388 1.960 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC23CCC3)cc1 ZINC000081515711 351151140 /nfs/dbraw/zinc/15/11/40/351151140.db2.gz BNQVCQHJUQEYBS-UHFFFAOYSA-N 1 2 290.388 1.960 20 30 CDEDLO COC(=O)CSCC/[NH+]=C/c1cccc(OC)c1O ZINC000264255208 363011171 /nfs/dbraw/zinc/01/11/71/363011171.db2.gz BALYQFUJQJLVMY-RIYZIHGNSA-N 1 2 283.349 1.726 20 30 CDEDLO Cc1cccc2[nH+]c(CNC(=O)C(C)(C)C#N)cn21 ZINC000264539407 363090321 /nfs/dbraw/zinc/09/03/21/363090321.db2.gz LPGPPNCBDYDPAY-UHFFFAOYSA-N 1 2 256.309 1.809 20 30 CDEDLO C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000123337177 187085678 /nfs/dbraw/zinc/08/56/78/187085678.db2.gz WSXXBFQEJNMOIB-BXUZGUMPSA-N 1 2 283.335 1.806 20 30 CDEDLO C[C@@H](O)C[C@H]1COCC[N@@H+]1Cc1ccccc1C#N ZINC000156923896 188288913 /nfs/dbraw/zinc/28/89/13/188288913.db2.gz WAUGOFOJCVWMSG-DOMZBBRYSA-N 1 2 260.337 1.530 20 30 CDEDLO C[C@@H](O)C[C@H]1COCC[N@H+]1Cc1ccccc1C#N ZINC000156923896 188288915 /nfs/dbraw/zinc/28/89/15/188288915.db2.gz WAUGOFOJCVWMSG-DOMZBBRYSA-N 1 2 260.337 1.530 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCOC[C@@H]1C ZINC000157559188 188324471 /nfs/dbraw/zinc/32/44/71/188324471.db2.gz DJAIXVJAQLXPCZ-LBPRGKRZSA-N 1 2 276.336 1.666 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCOC[C@@H]1C ZINC000157559188 188324473 /nfs/dbraw/zinc/32/44/73/188324473.db2.gz DJAIXVJAQLXPCZ-LBPRGKRZSA-N 1 2 276.336 1.666 20 30 CDEDLO C=CCN1CC[C@H](N(C)Cc2[nH]c(C)c(C)[nH+]2)C1=O ZINC000628259144 363277588 /nfs/dbraw/zinc/27/75/88/363277588.db2.gz ISZABTJDPVESNQ-LBPRGKRZSA-N 1 2 262.357 1.245 20 30 CDEDLO CC(C)[NH+]1CC(NC(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000333964328 363280948 /nfs/dbraw/zinc/28/09/48/363280948.db2.gz OXDXJTJYIRUPOR-HNNXBMFYSA-N 1 2 261.369 1.669 20 30 CDEDLO N#Cc1c(C[N@H+]2CC[C@@](F)(CO)C2)cn2ccccc12 ZINC000336436239 356174756 /nfs/dbraw/zinc/17/47/56/356174756.db2.gz SOPOLCZZRZCFIN-HNNXBMFYSA-N 1 2 273.311 1.717 20 30 CDEDLO N#Cc1c(C[N@@H+]2CC[C@@](F)(CO)C2)cn2ccccc12 ZINC000336436239 356174759 /nfs/dbraw/zinc/17/47/59/356174759.db2.gz SOPOLCZZRZCFIN-HNNXBMFYSA-N 1 2 273.311 1.717 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2C[C@H](O)C[C@@H]2C(=O)OC)c1 ZINC000187571599 356258501 /nfs/dbraw/zinc/25/85/01/356258501.db2.gz QJDBJRZPQSUEEP-UKRRQHHQSA-N 1 2 291.347 1.360 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2C(=O)OC)c1 ZINC000187571599 356258502 /nfs/dbraw/zinc/25/85/02/356258502.db2.gz QJDBJRZPQSUEEP-UKRRQHHQSA-N 1 2 291.347 1.360 20 30 CDEDLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000126086744 356402226 /nfs/dbraw/zinc/40/22/26/356402226.db2.gz KRGVYURGURYFSR-YBTHPKLGSA-N 1 2 293.392 1.196 20 30 CDEDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000126086744 356402227 /nfs/dbraw/zinc/40/22/27/356402227.db2.gz KRGVYURGURYFSR-YBTHPKLGSA-N 1 2 293.392 1.196 20 30 CDEDLO CC(C)[C@@H](NC(=O)c1cc(C#N)cn1C)c1[nH]cc[nH+]1 ZINC000342379093 363482518 /nfs/dbraw/zinc/48/25/18/363482518.db2.gz PJHGPRJVPVVHRJ-GFCCVEGCSA-N 1 2 271.324 1.747 20 30 CDEDLO CCCCN(CC)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352457098 363494633 /nfs/dbraw/zinc/49/46/33/363494633.db2.gz CCNRRBUINSHIQW-UHFFFAOYSA-N 1 2 269.364 1.963 20 30 CDEDLO C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CCCCO1)[NH+]1CCOCC1 ZINC000329410277 538565920 /nfs/dbraw/zinc/56/59/20/538565920.db2.gz BSVYVOPWWXJODE-MELADBBJSA-N 1 2 299.415 1.168 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N(CC)c1ccccc1 ZINC000299347974 357032935 /nfs/dbraw/zinc/03/29/35/357032935.db2.gz QSGZQYUNMRQTHN-OAHLLOKOSA-N 1 2 268.360 1.996 20 30 CDEDLO C=CC[N@@H+](CCNS(C)(=O)=O)Cc1cccs1 ZINC000107297811 357308528 /nfs/dbraw/zinc/30/85/28/357308528.db2.gz XWKFWYBASYZKSF-UHFFFAOYSA-N 1 2 274.411 1.285 20 30 CDEDLO C=CC[N@H+](CCNS(C)(=O)=O)Cc1cccs1 ZINC000107297811 357308533 /nfs/dbraw/zinc/30/85/33/357308533.db2.gz XWKFWYBASYZKSF-UHFFFAOYSA-N 1 2 274.411 1.285 20 30 CDEDLO CC[N@@H+]1CCN(C(=O)c2ccc(C#N)s2)[C@H](C)C1 ZINC000334460244 357585421 /nfs/dbraw/zinc/58/54/21/357585421.db2.gz UMIUCEMDRJFBGC-SNVBAGLBSA-N 1 2 263.366 1.786 20 30 CDEDLO CC[N@H+]1CCN(C(=O)c2ccc(C#N)s2)[C@H](C)C1 ZINC000334460244 357585423 /nfs/dbraw/zinc/58/54/23/357585423.db2.gz UMIUCEMDRJFBGC-SNVBAGLBSA-N 1 2 263.366 1.786 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286631226 357593800 /nfs/dbraw/zinc/59/38/00/357593800.db2.gz SPZRDBGPAXKNPO-RBSFLKMASA-N 1 2 288.347 1.618 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000286631226 357593807 /nfs/dbraw/zinc/59/38/07/357593807.db2.gz SPZRDBGPAXKNPO-RBSFLKMASA-N 1 2 288.347 1.618 20 30 CDEDLO CCOc1ccc(C(C)=O)cc1CO[NH+]=C(N)CCO ZINC000186788486 357691141 /nfs/dbraw/zinc/69/11/41/357691141.db2.gz JPXXPGQNPLYGOQ-UHFFFAOYSA-N 1 2 280.324 1.459 20 30 CDEDLO COc1ccc(F)cc1C[NH+]1CCN(CC#N)CC1 ZINC000072879223 357856157 /nfs/dbraw/zinc/85/61/57/357856157.db2.gz RNAGLXGXAQFNDR-UHFFFAOYSA-N 1 2 263.316 1.475 20 30 CDEDLO C=C(Br)C[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078623967 358045444 /nfs/dbraw/zinc/04/54/44/358045444.db2.gz QBASDYTZRBPVCR-UHFFFAOYSA-N 1 2 284.157 1.047 20 30 CDEDLO C=C(Br)C[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078623967 358045446 /nfs/dbraw/zinc/04/54/46/358045446.db2.gz QBASDYTZRBPVCR-UHFFFAOYSA-N 1 2 284.157 1.047 20 30 CDEDLO C[C@H](c1nncn1C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000287332889 358400748 /nfs/dbraw/zinc/40/07/48/358400748.db2.gz ODUAEHQWKSOXIK-LLVKDONJSA-N 1 2 255.325 1.880 20 30 CDEDLO C[C@H](c1nncn1C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000287332889 358400751 /nfs/dbraw/zinc/40/07/51/358400751.db2.gz ODUAEHQWKSOXIK-LLVKDONJSA-N 1 2 255.325 1.880 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(C#N)ccn1)C1CC1 ZINC000341691874 358790425 /nfs/dbraw/zinc/79/04/25/358790425.db2.gz QBBVCSALUCADEN-CYBMUJFWSA-N 1 2 281.319 1.568 20 30 CDEDLO COc1cc(C[N@@H+]2CCCC[C@@H]2C(N)=O)ccc1C#N ZINC000234967466 359055835 /nfs/dbraw/zinc/05/58/35/359055835.db2.gz XOBWDVDAJCYDOV-CYBMUJFWSA-N 1 2 273.336 1.407 20 30 CDEDLO COc1cc(C[N@H+]2CCCC[C@@H]2C(N)=O)ccc1C#N ZINC000234967466 359055839 /nfs/dbraw/zinc/05/58/39/359055839.db2.gz XOBWDVDAJCYDOV-CYBMUJFWSA-N 1 2 273.336 1.407 20 30 CDEDLO CCn1ccc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)n1 ZINC000569341074 359225665 /nfs/dbraw/zinc/22/56/65/359225665.db2.gz ATEVTFINAHRJFD-UHFFFAOYSA-N 1 2 281.323 1.107 20 30 CDEDLO N#Cc1ccc(N2CCC(n3cc[nH+]c3)CC2)nc1N ZINC000569471751 359238756 /nfs/dbraw/zinc/23/87/56/359238756.db2.gz KZQWUPMGLOTOAI-UHFFFAOYSA-N 1 2 268.324 1.573 20 30 CDEDLO C#CCOc1ccccc1CNC(=O)NCc1[nH+]ccn1C ZINC000265202629 359325086 /nfs/dbraw/zinc/32/50/86/359325086.db2.gz UECZFSIVOWWEFS-UHFFFAOYSA-N 1 2 298.346 1.432 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000270925023 359418367 /nfs/dbraw/zinc/41/83/67/359418367.db2.gz PMEABHCHQMDVCH-LBPRGKRZSA-N 1 2 292.358 1.033 20 30 CDEDLO C=CCOc1cccc(C[N@H+](CCOC)CC(=O)OC)c1 ZINC000271185603 359422033 /nfs/dbraw/zinc/42/20/33/359422033.db2.gz MVMLJKNGGKPBTP-UHFFFAOYSA-N 1 2 293.363 1.873 20 30 CDEDLO C=CCOc1cccc(C[N@@H+](CCOC)CC(=O)OC)c1 ZINC000271185603 359422038 /nfs/dbraw/zinc/42/20/38/359422038.db2.gz MVMLJKNGGKPBTP-UHFFFAOYSA-N 1 2 293.363 1.873 20 30 CDEDLO C#CCCN1CC[NH+]([C@H](C)C(=O)N(CC=C)CC=C)CC1 ZINC000271953588 359440566 /nfs/dbraw/zinc/44/05/66/359440566.db2.gz BLFZKQQCDQLONM-MRXNPFEDSA-N 1 2 289.423 1.216 20 30 CDEDLO C=CCNC(=O)CNc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000272001362 359445895 /nfs/dbraw/zinc/44/58/95/359445895.db2.gz KHQJSEGOMZJJAN-UHFFFAOYSA-N 1 2 297.362 1.815 20 30 CDEDLO C#C[C@H](C)NC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000274921808 359524327 /nfs/dbraw/zinc/52/43/27/359524327.db2.gz NCYNQCTXOYOFMD-NSHDSACASA-N 1 2 270.336 1.666 20 30 CDEDLO C=CCOCCC[N@H+]1CC[C@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000348049763 359801414 /nfs/dbraw/zinc/80/14/14/359801414.db2.gz JMNFZUARXBURJL-QWHCGFSZSA-N 1 2 299.367 1.006 20 30 CDEDLO C=CCOCCC[N@@H+]1CC[C@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000348049763 359801419 /nfs/dbraw/zinc/80/14/19/359801419.db2.gz JMNFZUARXBURJL-QWHCGFSZSA-N 1 2 299.367 1.006 20 30 CDEDLO C=CCN(Cc1[nH]c(C)c(C)[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC000628152333 359856766 /nfs/dbraw/zinc/85/67/66/359856766.db2.gz WJBLITRXRDLCQC-LBPRGKRZSA-N 1 2 283.397 1.202 20 30 CDEDLO CSc1ccccc1C[N@H+](C)CC(=O)NCC#N ZINC000348320941 360003792 /nfs/dbraw/zinc/00/37/92/360003792.db2.gz DUZMPJVXWNDBAM-UHFFFAOYSA-N 1 2 263.366 1.480 20 30 CDEDLO CSc1ccccc1C[N@@H+](C)CC(=O)NCC#N ZINC000348320941 360003795 /nfs/dbraw/zinc/00/37/95/360003795.db2.gz DUZMPJVXWNDBAM-UHFFFAOYSA-N 1 2 263.366 1.480 20 30 CDEDLO C=CCSCCNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000298217465 200363687 /nfs/dbraw/zinc/36/36/87/200363687.db2.gz JRLLILBUNMEXPR-JTQLQIEISA-N 1 2 268.386 1.600 20 30 CDEDLO C=CCSCCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000298217465 200363689 /nfs/dbraw/zinc/36/36/89/200363689.db2.gz JRLLILBUNMEXPR-JTQLQIEISA-N 1 2 268.386 1.600 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000177459425 189052864 /nfs/dbraw/zinc/05/28/64/189052864.db2.gz WXIMSNDLBWCTES-UHFFFAOYSA-N 1 2 262.309 1.207 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000177459425 189052865 /nfs/dbraw/zinc/05/28/65/189052865.db2.gz WXIMSNDLBWCTES-UHFFFAOYSA-N 1 2 262.309 1.207 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCC=C(c3cccnc3)C2)CCC1 ZINC000515127157 360441486 /nfs/dbraw/zinc/44/14/86/360441486.db2.gz QCQLOQCRAOEXPP-UHFFFAOYSA-N 1 2 296.374 1.733 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCC=C(c3cccnc3)C2)CCC1 ZINC000515127157 360441489 /nfs/dbraw/zinc/44/14/89/360441489.db2.gz QCQLOQCRAOEXPP-UHFFFAOYSA-N 1 2 296.374 1.733 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1c[nH+]c(C)cc1C ZINC000515132168 360442700 /nfs/dbraw/zinc/44/27/00/360442700.db2.gz VCHLSGPFJWEZGU-KGLIPLIRSA-N 1 2 260.337 1.906 20 30 CDEDLO N#C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CC3)C2=O)C[C@H]1c1ccccc1 ZINC000429033056 360742739 /nfs/dbraw/zinc/74/27/39/360742739.db2.gz ZFQUQZHINLGWIY-HYVNUMGLSA-N 1 2 295.386 1.989 20 30 CDEDLO N#C[C@@H]1C[N@H+]([C@@H]2CCN(C3CC3)C2=O)C[C@H]1c1ccccc1 ZINC000429033056 360742746 /nfs/dbraw/zinc/74/27/46/360742746.db2.gz ZFQUQZHINLGWIY-HYVNUMGLSA-N 1 2 295.386 1.989 20 30 CDEDLO Cn1cc(C[N@@H+]2CCOC[C@H]2CC(F)F)cc1C#N ZINC000289746906 360874952 /nfs/dbraw/zinc/87/49/52/360874952.db2.gz QIWJEMCAQKXUHP-GFCCVEGCSA-N 1 2 269.295 1.753 20 30 CDEDLO Cn1cc(C[N@H+]2CCOC[C@H]2CC(F)F)cc1C#N ZINC000289746906 360874955 /nfs/dbraw/zinc/87/49/55/360874955.db2.gz QIWJEMCAQKXUHP-GFCCVEGCSA-N 1 2 269.295 1.753 20 30 CDEDLO COCCc1noc(C[N@H+](C)CCCSCC#N)n1 ZINC000151114824 360879608 /nfs/dbraw/zinc/87/96/08/360879608.db2.gz QYUXVFNPPOPRKN-UHFFFAOYSA-N 1 2 284.385 1.337 20 30 CDEDLO COCCc1noc(C[N@@H+](C)CCCSCC#N)n1 ZINC000151114824 360879613 /nfs/dbraw/zinc/87/96/13/360879613.db2.gz QYUXVFNPPOPRKN-UHFFFAOYSA-N 1 2 284.385 1.337 20 30 CDEDLO C#CCCCCC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000179669168 189211805 /nfs/dbraw/zinc/21/18/05/189211805.db2.gz YWRVIZCKAAHKJN-UHFFFAOYSA-N 1 2 285.391 1.919 20 30 CDEDLO CCOC[C@H]1C[N@H+](CC#Cc2ccc(F)cc2)CCO1 ZINC000528719709 361240031 /nfs/dbraw/zinc/24/00/31/361240031.db2.gz ADDPMPFYEWQJLD-MRXNPFEDSA-N 1 2 277.339 1.915 20 30 CDEDLO CCOC[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)CCO1 ZINC000528719709 361240032 /nfs/dbraw/zinc/24/00/32/361240032.db2.gz ADDPMPFYEWQJLD-MRXNPFEDSA-N 1 2 277.339 1.915 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CC[C@H](C)O ZINC000267648070 361255034 /nfs/dbraw/zinc/25/50/34/361255034.db2.gz WYZFRGCFBJRFFX-SMDDNHRTSA-N 1 2 276.336 1.475 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@H](C)O ZINC000267648070 361255039 /nfs/dbraw/zinc/25/50/39/361255039.db2.gz WYZFRGCFBJRFFX-SMDDNHRTSA-N 1 2 276.336 1.475 20 30 CDEDLO COC(=O)C[C@H]1C[N@@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000267706999 361335360 /nfs/dbraw/zinc/33/53/60/361335360.db2.gz VTIVAUCKIIGJCW-DOMZBBRYSA-N 1 2 288.347 1.883 20 30 CDEDLO COC(=O)C[C@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000267706999 361335367 /nfs/dbraw/zinc/33/53/67/361335367.db2.gz VTIVAUCKIIGJCW-DOMZBBRYSA-N 1 2 288.347 1.883 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC#Cc1cccc(F)c1 ZINC000563896666 361370847 /nfs/dbraw/zinc/37/08/47/361370847.db2.gz FJGWMFCXFDOZDF-LBPRGKRZSA-N 1 2 285.322 1.895 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC#Cc1cccc(F)c1 ZINC000563896666 361370851 /nfs/dbraw/zinc/37/08/51/361370851.db2.gz FJGWMFCXFDOZDF-LBPRGKRZSA-N 1 2 285.322 1.895 20 30 CDEDLO CCOc1ccccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000435534326 361411678 /nfs/dbraw/zinc/41/16/78/361411678.db2.gz MKDMJTRAMIMCGM-CYBMUJFWSA-N 1 2 278.352 1.670 20 30 CDEDLO CCOc1ccccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000435534326 361411681 /nfs/dbraw/zinc/41/16/81/361411681.db2.gz MKDMJTRAMIMCGM-CYBMUJFWSA-N 1 2 278.352 1.670 20 30 CDEDLO C[C@H](C(=O)NC[C@H]1CCCO1)N1CCn2cc[nH+]c2C1 ZINC000329338199 361483562 /nfs/dbraw/zinc/48/35/62/361483562.db2.gz MXIDHSDIGVJKBE-VXGBXAGGSA-N 1 2 278.356 1.223 20 30 CDEDLO Cc1nn(C)c(C)c1[NH+]=C([O-])N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329504621 361529993 /nfs/dbraw/zinc/52/99/93/361529993.db2.gz IJSPQAFCABTXBD-SNVBAGLBSA-N 1 2 288.355 1.643 20 30 CDEDLO Cc1nn(C)c(C)c1[NH+]=C([O-])N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329504621 361529994 /nfs/dbraw/zinc/52/99/94/361529994.db2.gz IJSPQAFCABTXBD-SNVBAGLBSA-N 1 2 288.355 1.643 20 30 CDEDLO C#CC[NH+]1CCN(c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000301078024 364134120 /nfs/dbraw/zinc/13/41/20/364134120.db2.gz CSOIKYNUAVDKLM-UHFFFAOYSA-N 1 2 268.320 1.091 20 30 CDEDLO C#CCN(CC#CC)C(=O)/C=C/c1[nH+]ccn1CC ZINC000490936059 364522336 /nfs/dbraw/zinc/52/23/36/364522336.db2.gz PEDANZPQDHVMGP-CMDGGOBGSA-N 1 2 255.321 1.401 20 30 CDEDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000367103253 364814832 /nfs/dbraw/zinc/81/48/32/364814832.db2.gz LSIWWAVPTDIPSH-JTQLQIEISA-N 1 2 261.300 1.408 20 30 CDEDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000367103253 364814839 /nfs/dbraw/zinc/81/48/39/364814839.db2.gz LSIWWAVPTDIPSH-JTQLQIEISA-N 1 2 261.300 1.408 20 30 CDEDLO C=CCCCCCn1cc(CC[NH+]2CCOCC2)nn1 ZINC000641045155 364887667 /nfs/dbraw/zinc/88/76/67/364887667.db2.gz LYQLHZXFXHPYPM-UHFFFAOYSA-N 1 2 278.400 1.899 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2nnc(C3CC3)s2)nn1 ZINC000641049472 364892969 /nfs/dbraw/zinc/89/29/69/364892969.db2.gz MQXLFTZPGCUHFY-UHFFFAOYSA-N 1 2 288.380 1.168 20 30 CDEDLO C[N@H+](CCCOc1cccc(C#N)c1)CCS(C)(=O)=O ZINC000094298639 365219546 /nfs/dbraw/zinc/21/95/46/365219546.db2.gz VHBFCIJNBJAIBL-UHFFFAOYSA-N 1 2 296.392 1.304 20 30 CDEDLO C[N@@H+](CCCOc1cccc(C#N)c1)CCS(C)(=O)=O ZINC000094298639 365219553 /nfs/dbraw/zinc/21/95/53/365219553.db2.gz VHBFCIJNBJAIBL-UHFFFAOYSA-N 1 2 296.392 1.304 20 30 CDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccc(C#N)s1 ZINC000413954828 240990625 /nfs/dbraw/zinc/99/06/25/240990625.db2.gz JEIWVSBYOHPNKW-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO CC[N@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CCNC1=O ZINC000440951250 367179788 /nfs/dbraw/zinc/17/97/88/367179788.db2.gz CYGWVVHIWLAVBI-ZDUSSCGKSA-N 1 2 277.755 1.922 20 30 CDEDLO CC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CCNC1=O ZINC000440951250 367179794 /nfs/dbraw/zinc/17/97/94/367179794.db2.gz CYGWVVHIWLAVBI-ZDUSSCGKSA-N 1 2 277.755 1.922 20 30 CDEDLO CC(=O)c1ccc(C#N)c(N[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000272565391 367776012 /nfs/dbraw/zinc/77/60/12/367776012.db2.gz SNVXRNAWTJWHLT-LBPRGKRZSA-N 1 2 287.363 1.893 20 30 CDEDLO CN(CC[NH+]1CCOCC1)C(=O)NCC(C)(C)CCC#N ZINC000358681357 367870443 /nfs/dbraw/zinc/87/04/43/367870443.db2.gz HMMDWRWVTGEZGH-UHFFFAOYSA-N 1 2 296.415 1.290 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCc3nc(C4CC4)ncc3C2)C1=O ZINC000528736749 367964163 /nfs/dbraw/zinc/96/41/63/367964163.db2.gz BDYCPDLHKQFKGG-HNNXBMFYSA-N 1 2 298.390 1.499 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCc3nc(C4CC4)ncc3C2)C1=O ZINC000528736749 367964167 /nfs/dbraw/zinc/96/41/67/367964167.db2.gz BDYCPDLHKQFKGG-HNNXBMFYSA-N 1 2 298.390 1.499 20 30 CDEDLO N#CCNC(=O)C[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128653587 368483246 /nfs/dbraw/zinc/48/32/46/368483246.db2.gz HUODISNQRSAYEF-NSHDSACASA-N 1 2 293.754 1.433 20 30 CDEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128653587 368483247 /nfs/dbraw/zinc/48/32/47/368483247.db2.gz HUODISNQRSAYEF-NSHDSACASA-N 1 2 293.754 1.433 20 30 CDEDLO CC#CCCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000361286939 368728446 /nfs/dbraw/zinc/72/84/46/368728446.db2.gz GIPLKIAFBJQVDH-UHFFFAOYSA-N 1 2 286.379 1.894 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1Cc2ccc(C)cc2C1 ZINC000361604416 368931995 /nfs/dbraw/zinc/93/19/95/368931995.db2.gz SZXVYAWHTNBGBW-GFCCVEGCSA-N 1 2 287.363 1.711 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1Cc2ccc(C)cc2C1 ZINC000361604416 368931998 /nfs/dbraw/zinc/93/19/98/368931998.db2.gz SZXVYAWHTNBGBW-GFCCVEGCSA-N 1 2 287.363 1.711 20 30 CDEDLO C=CC[N@@H+](CCOC)CC(=O)NCC(=O)c1cccs1 ZINC000362049775 369085480 /nfs/dbraw/zinc/08/54/80/369085480.db2.gz ZJYFYCOCSVRJMZ-UHFFFAOYSA-N 1 2 296.392 1.181 20 30 CDEDLO C=CC[N@H+](CCOC)CC(=O)NCC(=O)c1cccs1 ZINC000362049775 369085488 /nfs/dbraw/zinc/08/54/88/369085488.db2.gz ZJYFYCOCSVRJMZ-UHFFFAOYSA-N 1 2 296.392 1.181 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CC(=O)NC(C)C ZINC000073643744 369188630 /nfs/dbraw/zinc/18/86/30/369188630.db2.gz WRMBWBCRNZOIIN-CYBMUJFWSA-N 1 2 281.400 1.032 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CC(=O)NC(C)C ZINC000073643744 369188632 /nfs/dbraw/zinc/18/86/32/369188632.db2.gz WRMBWBCRNZOIIN-CYBMUJFWSA-N 1 2 281.400 1.032 20 30 CDEDLO C#CCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000075558349 369423466 /nfs/dbraw/zinc/42/34/66/369423466.db2.gz AENXANSCBMPBOP-AWEZNQCLSA-N 1 2 298.346 1.451 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000365234291 284183723 /nfs/dbraw/zinc/18/37/23/284183723.db2.gz NJDWXIFNZJDEFV-KGLIPLIRSA-N 1 2 291.351 1.049 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000365234291 284183724 /nfs/dbraw/zinc/18/37/24/284183724.db2.gz NJDWXIFNZJDEFV-KGLIPLIRSA-N 1 2 291.351 1.049 20 30 CDEDLO N#CCC[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000564843836 370274458 /nfs/dbraw/zinc/27/44/58/370274458.db2.gz FYSNIWWPTFKNNG-UHFFFAOYSA-N 1 2 293.392 1.474 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCCC[C@@H]2C(N)=O)ccc1F ZINC000160538015 370283962 /nfs/dbraw/zinc/28/39/62/370283962.db2.gz YNISKXAXJAIMOC-CYBMUJFWSA-N 1 2 261.300 1.537 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2C(N)=O)ccc1F ZINC000160538015 370283967 /nfs/dbraw/zinc/28/39/67/370283967.db2.gz YNISKXAXJAIMOC-CYBMUJFWSA-N 1 2 261.300 1.537 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCC(=O)OC(C)(C)C ZINC000565954301 370574968 /nfs/dbraw/zinc/57/49/68/370574968.db2.gz LTNCRUIBDRBNFO-AWEZNQCLSA-N 1 2 283.372 1.068 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NC1(C(=O)OC)CCCCC1 ZINC000568182534 371208442 /nfs/dbraw/zinc/20/84/42/371208442.db2.gz SDTLVDKUQIJNAY-LBPRGKRZSA-N 1 2 295.383 1.260 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000573485840 371559137 /nfs/dbraw/zinc/55/91/37/371559137.db2.gz RKLJDHBKEMIYRR-GOEBONIOSA-N 1 2 293.411 1.542 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000573485840 371559129 /nfs/dbraw/zinc/55/91/29/371559129.db2.gz RKLJDHBKEMIYRR-GOEBONIOSA-N 1 2 293.411 1.542 20 30 CDEDLO C[C@H](C(=O)N1CCC(CCC#N)CC1)[NH+]1CCN(C)CC1 ZINC000573567591 371583836 /nfs/dbraw/zinc/58/38/36/371583836.db2.gz QDMADTHGDRSXOG-CQSZACIVSA-N 1 2 292.427 1.165 20 30 CDEDLO COC(=O)[C@@H]([NH2+]CCOc1ccccc1C#N)C(C)C ZINC000547299307 373337764 /nfs/dbraw/zinc/33/77/64/373337764.db2.gz CFVKPVCSUJNRFE-AWEZNQCLSA-N 1 2 276.336 1.724 20 30 CDEDLO COCC[N@H+](CC(=O)N(C)C)Cc1ccc(C#N)c(F)c1 ZINC000191945403 373557057 /nfs/dbraw/zinc/55/70/57/373557057.db2.gz CEOZDFOKSDNTDF-UHFFFAOYSA-N 1 2 293.342 1.234 20 30 CDEDLO COCC[N@@H+](CC(=O)N(C)C)Cc1ccc(C#N)c(F)c1 ZINC000191945403 373557064 /nfs/dbraw/zinc/55/70/64/373557064.db2.gz CEOZDFOKSDNTDF-UHFFFAOYSA-N 1 2 293.342 1.234 20 30 CDEDLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc(C#N)s1 ZINC000355156564 373821776 /nfs/dbraw/zinc/82/17/76/373821776.db2.gz AMDPSLBMYBGXAZ-VHSXEESVSA-N 1 2 252.339 1.201 20 30 CDEDLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(C#N)s1 ZINC000355156564 373821778 /nfs/dbraw/zinc/82/17/78/373821778.db2.gz AMDPSLBMYBGXAZ-VHSXEESVSA-N 1 2 252.339 1.201 20 30 CDEDLO C[C@@H]1C[C@@H](CO)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000356332402 373841691 /nfs/dbraw/zinc/84/16/91/373841691.db2.gz GGMOLIARPSYNFT-ZJUUUORDSA-N 1 2 251.355 1.608 20 30 CDEDLO C[C@@H]1C[C@@H](CO)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000356332402 373841700 /nfs/dbraw/zinc/84/17/00/373841700.db2.gz GGMOLIARPSYNFT-ZJUUUORDSA-N 1 2 251.355 1.608 20 30 CDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@@H](n3cccn3)C2)cc1 ZINC000361596430 374046367 /nfs/dbraw/zinc/04/63/67/374046367.db2.gz SOIDKDFNVMXZOM-CABCVRRESA-N 1 2 295.346 1.228 20 30 CDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@@H](n3cccn3)C2)cc1 ZINC000361596430 374046373 /nfs/dbraw/zinc/04/63/73/374046373.db2.gz SOIDKDFNVMXZOM-CABCVRRESA-N 1 2 295.346 1.228 20 30 CDEDLO C[C@H]([C@H](C)[N@H+](C)Cc1cc(C#N)ccc1F)S(C)(=O)=O ZINC000113260362 374247228 /nfs/dbraw/zinc/24/72/28/374247228.db2.gz PTLPWMWBGFXAQL-WDEREUQCSA-N 1 2 298.383 1.951 20 30 CDEDLO C[C@H]([C@H](C)[N@@H+](C)Cc1cc(C#N)ccc1F)S(C)(=O)=O ZINC000113260362 374247238 /nfs/dbraw/zinc/24/72/38/374247238.db2.gz PTLPWMWBGFXAQL-WDEREUQCSA-N 1 2 298.383 1.951 20 30 CDEDLO Cn1cc([C@@]2(C)C[N@H+](Cc3cc(C#N)n(C)c3)CCO2)cn1 ZINC000276772625 374747911 /nfs/dbraw/zinc/74/79/11/374747911.db2.gz PDDBOJKAKNJDDD-MRXNPFEDSA-N 1 2 299.378 1.378 20 30 CDEDLO Cn1cc([C@@]2(C)C[N@@H+](Cc3cc(C#N)n(C)c3)CCO2)cn1 ZINC000276772625 374747914 /nfs/dbraw/zinc/74/79/14/374747914.db2.gz PDDBOJKAKNJDDD-MRXNPFEDSA-N 1 2 299.378 1.378 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)CC[S@]1=O ZINC000277449624 374787698 /nfs/dbraw/zinc/78/76/98/374787698.db2.gz JVFCXTRSXZDJKA-BBATYDOGSA-N 1 2 265.382 1.240 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)CC[S@]1=O ZINC000277449624 374787708 /nfs/dbraw/zinc/78/77/08/374787708.db2.gz JVFCXTRSXZDJKA-BBATYDOGSA-N 1 2 265.382 1.240 20 30 CDEDLO N#Cc1ncccc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000278795620 374858562 /nfs/dbraw/zinc/85/85/62/374858562.db2.gz XRCBOSYLDVRHEH-UHFFFAOYSA-N 1 2 295.346 1.797 20 30 CDEDLO COC(=O)[C@@H](C)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000280790490 375022099 /nfs/dbraw/zinc/02/20/99/375022099.db2.gz RBPWDWYCLTWRQO-LLVKDONJSA-N 1 2 262.309 1.430 20 30 CDEDLO COC(=O)[C@@H](C)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000280790490 375022104 /nfs/dbraw/zinc/02/21/04/375022104.db2.gz RBPWDWYCLTWRQO-LLVKDONJSA-N 1 2 262.309 1.430 20 30 CDEDLO CCC[N@H+](Cc1ccccc1C#N)[C@@H]1CC(=O)N(C)C1=O ZINC000282561649 375092731 /nfs/dbraw/zinc/09/27/31/375092731.db2.gz UGQHNWVHHCPRQL-CQSZACIVSA-N 1 2 285.347 1.528 20 30 CDEDLO CCC[N@@H+](Cc1ccccc1C#N)[C@@H]1CC(=O)N(C)C1=O ZINC000282561649 375092738 /nfs/dbraw/zinc/09/27/38/375092738.db2.gz UGQHNWVHHCPRQL-CQSZACIVSA-N 1 2 285.347 1.528 20 30 CDEDLO COc1cc(C[N@@H+]2CCC[C@@]23CCOC3=O)ccc1C#N ZINC000282133533 375066994 /nfs/dbraw/zinc/06/69/94/375066994.db2.gz BNORVGGAYLOUNT-INIZCTEOSA-N 1 2 286.331 1.848 20 30 CDEDLO COc1cc(C[N@H+]2CCC[C@@]23CCOC3=O)ccc1C#N ZINC000282133533 375066999 /nfs/dbraw/zinc/06/69/99/375066999.db2.gz BNORVGGAYLOUNT-INIZCTEOSA-N 1 2 286.331 1.848 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000343239548 375817762 /nfs/dbraw/zinc/81/77/62/375817762.db2.gz QRYSCAJWLDNLKM-CYBMUJFWSA-N 1 2 283.416 1.304 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000343239548 375817766 /nfs/dbraw/zinc/81/77/66/375817766.db2.gz QRYSCAJWLDNLKM-CYBMUJFWSA-N 1 2 283.416 1.304 20 30 CDEDLO C#C[C@@H](C)[NH2+]Cc1csc(N(CC)C(C)=O)n1 ZINC000122986847 375822741 /nfs/dbraw/zinc/82/27/41/375822741.db2.gz YPEPIDVYHYAJNI-SECBINFHSA-N 1 2 251.355 1.627 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)[C@H]1CCCO1)[NH+]1CCOCC1 ZINC000328764629 375950223 /nfs/dbraw/zinc/95/02/23/375950223.db2.gz GJYPODQITYDLAR-QJPTWQEYSA-N 1 2 256.346 1.231 20 30 CDEDLO CCc1cccnc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330589829 376285390 /nfs/dbraw/zinc/28/53/90/376285390.db2.gz ZTSULIJIYVKUHU-LBPRGKRZSA-N 1 2 277.368 1.669 20 30 CDEDLO CCc1cccnc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330589829 376285396 /nfs/dbraw/zinc/28/53/96/376285396.db2.gz ZTSULIJIYVKUHU-LBPRGKRZSA-N 1 2 277.368 1.669 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C[C@H](CC)O1 ZINC000420956596 376508692 /nfs/dbraw/zinc/50/86/92/376508692.db2.gz YNWFIZKGQPIPAH-IJEWVQPXSA-N 1 2 293.411 1.684 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C[C@H](CC)O1 ZINC000420956596 376508699 /nfs/dbraw/zinc/50/86/99/376508699.db2.gz YNWFIZKGQPIPAH-IJEWVQPXSA-N 1 2 293.411 1.684 20 30 CDEDLO CCc1nnc(C[NH2+]Cc2ccc(C#N)cc2F)[nH]1 ZINC000296047762 376814320 /nfs/dbraw/zinc/81/43/20/376814320.db2.gz OIFIIIKOTXJUAP-UHFFFAOYSA-N 1 2 259.288 1.668 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@@H](C#N)C1 ZINC000171732635 376973578 /nfs/dbraw/zinc/97/35/78/376973578.db2.gz QMFWUKPJZNQZER-LBPRGKRZSA-N 1 2 284.319 1.096 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@H]1CC(C)C ZINC000247100574 377051802 /nfs/dbraw/zinc/05/18/02/377051802.db2.gz XCQUYEPZLDOAPA-HUUCEWRRSA-N 1 2 295.427 1.741 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOC[C@H]1CC(C)C ZINC000247100574 377051810 /nfs/dbraw/zinc/05/18/10/377051810.db2.gz XCQUYEPZLDOAPA-HUUCEWRRSA-N 1 2 295.427 1.741 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000172296584 377432343 /nfs/dbraw/zinc/43/23/43/377432343.db2.gz IXZSPOTYWQCAAO-OAHLLOKOSA-N 1 2 278.327 1.671 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000172296584 377432350 /nfs/dbraw/zinc/43/23/50/377432350.db2.gz IXZSPOTYWQCAAO-OAHLLOKOSA-N 1 2 278.327 1.671 20 30 CDEDLO C[C@@H]1CC[N@H+](CC(=O)NCC#N)[C@H](c2ccco2)C1 ZINC000076184665 377469368 /nfs/dbraw/zinc/46/93/68/377469368.db2.gz YKAICJXHNYDZHR-NEPJUHHUSA-N 1 2 261.325 1.692 20 30 CDEDLO C[C@@H]1CC[N@@H+](CC(=O)NCC#N)[C@H](c2ccco2)C1 ZINC000076184665 377469375 /nfs/dbraw/zinc/46/93/75/377469375.db2.gz YKAICJXHNYDZHR-NEPJUHHUSA-N 1 2 261.325 1.692 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@@H](CCC)C1 ZINC000131287946 377655729 /nfs/dbraw/zinc/65/57/29/377655729.db2.gz PGABYAURLSSUCD-AWEZNQCLSA-N 1 2 266.385 1.688 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@@H](CCC)C1 ZINC000131287946 377655735 /nfs/dbraw/zinc/65/57/35/377655735.db2.gz PGABYAURLSSUCD-AWEZNQCLSA-N 1 2 266.385 1.688 20 30 CDEDLO C=C(CNC(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000287206525 378248029 /nfs/dbraw/zinc/24/80/29/378248029.db2.gz GRAKBLPWFYBYKI-UHFFFAOYSA-N 1 2 289.379 1.331 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2conc2C2CC2)CC1 ZINC000290110316 378363032 /nfs/dbraw/zinc/36/30/32/378363032.db2.gz KKWUXQXLFMKQLM-UHFFFAOYSA-N 1 2 273.336 1.333 20 30 CDEDLO N#CCC[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000069654639 378480149 /nfs/dbraw/zinc/48/01/49/378480149.db2.gz MOGRFMFVYORWGG-UHFFFAOYSA-N 1 2 278.400 1.996 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000293125999 378540442 /nfs/dbraw/zinc/54/04/42/378540442.db2.gz MPMXVJIARUNEHR-UHFFFAOYSA-N 1 2 280.397 1.729 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000293125999 378540449 /nfs/dbraw/zinc/54/04/49/378540449.db2.gz MPMXVJIARUNEHR-UHFFFAOYSA-N 1 2 280.397 1.729 20 30 CDEDLO C#CCNC(=O)CC[N@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000293243614 378549876 /nfs/dbraw/zinc/54/98/76/378549876.db2.gz WOAFIBZYLDQGNG-ZDUSSCGKSA-N 1 2 276.336 1.101 20 30 CDEDLO C#CCNC(=O)CC[N@@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000293243614 378549881 /nfs/dbraw/zinc/54/98/81/378549881.db2.gz WOAFIBZYLDQGNG-ZDUSSCGKSA-N 1 2 276.336 1.101 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2nc(C)oc2C)CC1 ZINC000293267725 378552472 /nfs/dbraw/zinc/55/24/72/378552472.db2.gz BWUNUJAUTNXIGY-UHFFFAOYSA-N 1 2 261.325 1.073 20 30 CDEDLO CC#CC[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000293361101 378570578 /nfs/dbraw/zinc/57/05/78/378570578.db2.gz ZYZRTYYMXFHMGW-UHFFFAOYSA-N 1 2 261.281 1.149 20 30 CDEDLO CC#CC[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000293361101 378570585 /nfs/dbraw/zinc/57/05/85/378570585.db2.gz ZYZRTYYMXFHMGW-UHFFFAOYSA-N 1 2 261.281 1.149 20 30 CDEDLO C=CCC(C)(C)CNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000293519060 378579959 /nfs/dbraw/zinc/57/99/59/378579959.db2.gz XUVSGGPUPRMSIY-UHFFFAOYSA-N 1 2 291.351 1.747 20 30 CDEDLO Cn1ncc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000293733958 378586578 /nfs/dbraw/zinc/58/65/78/378586578.db2.gz ZMYRMFSRYOWRQA-UHFFFAOYSA-N 1 2 294.280 1.975 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](c2nccn2C)C2CC2)C1=O ZINC000639132056 378766987 /nfs/dbraw/zinc/76/69/87/378766987.db2.gz DDDGUSFQKXEVMH-ZIAGYGMSSA-N 1 2 288.395 1.590 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](c2nccn2C)C2CC2)C1=O ZINC000639132056 378766993 /nfs/dbraw/zinc/76/69/93/378766993.db2.gz DDDGUSFQKXEVMH-ZIAGYGMSSA-N 1 2 288.395 1.590 20 30 CDEDLO C=CC[C@H](CO)C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000343683644 378948504 /nfs/dbraw/zinc/94/85/04/378948504.db2.gz XTVHCCJZCISWHJ-GXTWGEPZSA-N 1 2 272.352 1.668 20 30 CDEDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1CC#Cc1ccccc1 ZINC000334584369 379424785 /nfs/dbraw/zinc/42/47/85/379424785.db2.gz VPKNXRIWPNCDLZ-RDTXWAMCSA-N 1 2 261.390 1.881 20 30 CDEDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1CC#Cc1ccccc1 ZINC000334584369 379424794 /nfs/dbraw/zinc/42/47/94/379424794.db2.gz VPKNXRIWPNCDLZ-RDTXWAMCSA-N 1 2 261.390 1.881 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000246629039 379622367 /nfs/dbraw/zinc/62/23/67/379622367.db2.gz OCXNIAXHOHYGBC-LSDHHAIUSA-N 1 2 269.348 1.801 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000246629039 379622372 /nfs/dbraw/zinc/62/23/72/379622372.db2.gz OCXNIAXHOHYGBC-LSDHHAIUSA-N 1 2 269.348 1.801 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000175182871 379653205 /nfs/dbraw/zinc/65/32/05/379653205.db2.gz NOWPKFWVIWESST-UHFFFAOYSA-N 1 2 279.303 1.507 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000279334582 194389016 /nfs/dbraw/zinc/38/90/16/194389016.db2.gz HOZUDUBDCSTBLA-SWLSCSKDSA-N 1 2 275.352 1.104 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000280864775 195006372 /nfs/dbraw/zinc/00/63/72/195006372.db2.gz XKCSXTAZAUIOCB-INIZCTEOSA-N 1 2 292.379 1.993 20 30 CDEDLO CCn1cc[nH+]c1C=CC(=O)Nc1ccncc1C#N ZINC000492451380 253223111 /nfs/dbraw/zinc/22/31/11/253223111.db2.gz XVRYFXRFWMZBRM-ONEGZZNKSA-N 1 2 267.292 1.243 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)/C=C/c1ccc(C#N)cc1 ZINC000492875625 253315231 /nfs/dbraw/zinc/31/52/31/253315231.db2.gz YNZQJAKMMTXNDS-PSKZRQQASA-N 1 2 299.374 1.408 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)/C=C/c1ccc(C#N)cc1 ZINC000492875625 253315232 /nfs/dbraw/zinc/31/52/32/253315232.db2.gz YNZQJAKMMTXNDS-PSKZRQQASA-N 1 2 299.374 1.408 20 30 CDEDLO Cn1cc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)cc1C#N ZINC000289317620 197295210 /nfs/dbraw/zinc/29/52/10/197295210.db2.gz FILWUXNKWUGDNJ-HNNXBMFYSA-N 1 2 275.352 1.278 20 30 CDEDLO Cn1cc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)cc1C#N ZINC000289317620 197295212 /nfs/dbraw/zinc/29/52/12/197295212.db2.gz FILWUXNKWUGDNJ-HNNXBMFYSA-N 1 2 275.352 1.278 20 30 CDEDLO C=CCCC(C)(C)NC(=O)NCc1[nH+]ccn1C ZINC000663974753 412989671 /nfs/dbraw/zinc/98/96/71/412989671.db2.gz MBLMFJLPMBUJLF-UHFFFAOYSA-N 1 2 250.346 1.964 20 30 CDEDLO C#CCN(C)C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000191134517 533089908 /nfs/dbraw/zinc/08/99/08/533089908.db2.gz WAJBUCNLKKPUKJ-UHFFFAOYSA-N 1 2 287.388 1.968 20 30 CDEDLO C=CC[C@H](C)NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000116973199 260021201 /nfs/dbraw/zinc/02/12/01/260021201.db2.gz SQVBESNQXKFMBJ-AWEZNQCLSA-N 1 2 288.395 1.873 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](C)OC ZINC000285903830 390186315 /nfs/dbraw/zinc/18/63/15/390186315.db2.gz ZXJTYOXUOYFUSF-FZMZJTMJSA-N 1 2 276.336 1.739 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](C)OC ZINC000285903830 390186316 /nfs/dbraw/zinc/18/63/16/390186316.db2.gz ZXJTYOXUOYFUSF-FZMZJTMJSA-N 1 2 276.336 1.739 20 30 CDEDLO COc1cc(C[NH2+][C@@H](C)c2nnc3n2CCC3)ccc1C#N ZINC000281638176 195317582 /nfs/dbraw/zinc/31/75/82/195317582.db2.gz IQYMVLZQMTXJNF-NSHDSACASA-N 1 2 297.362 1.955 20 30 CDEDLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000337396810 390812693 /nfs/dbraw/zinc/81/26/93/390812693.db2.gz JQOXSBMFPOGJKY-LLVKDONJSA-N 1 2 270.379 1.239 20 30 CDEDLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000337396810 390812695 /nfs/dbraw/zinc/81/26/95/390812695.db2.gz JQOXSBMFPOGJKY-LLVKDONJSA-N 1 2 270.379 1.239 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000363543682 390943028 /nfs/dbraw/zinc/94/30/28/390943028.db2.gz GBVFNQXUGVOYCU-HNNXBMFYSA-N 1 2 285.347 1.105 20 30 CDEDLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)O[NH+]=C(N)CCO ZINC000121335502 390883956 /nfs/dbraw/zinc/88/39/56/390883956.db2.gz IUBOCQRKTRKSEJ-SECBINFHSA-N 1 2 299.758 1.647 20 30 CDEDLO N#Cc1ccc(CO[NH+]=C(N)CCO)c(Br)c1 ZINC000121414674 390885794 /nfs/dbraw/zinc/88/57/94/390885794.db2.gz NAQWOVAWRKLNOZ-UHFFFAOYSA-N 1 2 298.140 1.492 20 30 CDEDLO C=C(C)CO[NH+]=C(N)c1ccc(OC)c(OC)c1 ZINC000092892432 390897951 /nfs/dbraw/zinc/89/79/51/390897951.db2.gz GWYATRLRCVBCHS-UHFFFAOYSA-N 1 2 250.298 1.917 20 30 CDEDLO COCCOc1ccccc1C[NH+]1CCN(CC#N)CC1 ZINC000092936422 390898499 /nfs/dbraw/zinc/89/84/99/390898499.db2.gz YVQBHRJLUVYYPI-UHFFFAOYSA-N 1 2 289.379 1.353 20 30 CDEDLO C=CCN(C)C(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000410429715 390904700 /nfs/dbraw/zinc/90/47/00/390904700.db2.gz BCWWYCKUSYBMCB-NSHDSACASA-N 1 2 276.340 1.108 20 30 CDEDLO N#CCC[N@H+](CCC1OCCO1)Cc1ccco1 ZINC000124535025 390915070 /nfs/dbraw/zinc/91/50/70/390915070.db2.gz OZRQUTNHXCTHCZ-UHFFFAOYSA-N 1 2 250.298 1.758 20 30 CDEDLO N#CCC[N@@H+](CCC1OCCO1)Cc1ccco1 ZINC000124535025 390915071 /nfs/dbraw/zinc/91/50/71/390915071.db2.gz OZRQUTNHXCTHCZ-UHFFFAOYSA-N 1 2 250.298 1.758 20 30 CDEDLO N#Cc1ccc(NCc2cc[nH+]c(N3CCOCC3)c2)nn1 ZINC000179990458 390969231 /nfs/dbraw/zinc/96/92/31/390969231.db2.gz KHGDHKGVVKCLTQ-UHFFFAOYSA-N 1 2 296.334 1.192 20 30 CDEDLO CCOC1CC(N(C)C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000329511220 391001202 /nfs/dbraw/zinc/00/12/02/391001202.db2.gz BYCLLOVCRDMINA-HIFPTAJRSA-N 1 2 292.383 1.611 20 30 CDEDLO Cc1ccsc1CNC(=O)C[NH+]1CCC(C#N)CC1 ZINC000195309692 391030527 /nfs/dbraw/zinc/03/05/27/391030527.db2.gz CNWCBDUAXTXPQT-UHFFFAOYSA-N 1 2 277.393 1.908 20 30 CDEDLO C#CCCCNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000373110959 391105912 /nfs/dbraw/zinc/10/59/12/391105912.db2.gz FUOXCOZEFPCEBK-LBPRGKRZSA-N 1 2 260.341 1.712 20 30 CDEDLO [O-]C(NC[C@@H]1CCCOC1)=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329639082 391056542 /nfs/dbraw/zinc/05/65/42/391056542.db2.gz ZCTDUPKVAZAGRP-WDEREUQCSA-N 1 2 278.356 1.197 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000187437126 533269004 /nfs/dbraw/zinc/26/90/04/533269004.db2.gz SCHOLEISJGIXEY-RISCZKNCSA-N 1 2 287.363 1.653 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000187437126 533269008 /nfs/dbraw/zinc/26/90/08/533269008.db2.gz SCHOLEISJGIXEY-RISCZKNCSA-N 1 2 287.363 1.653 20 30 CDEDLO N#CCCC[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000174672009 391125453 /nfs/dbraw/zinc/12/54/53/391125453.db2.gz GQBCYHRNOLIVIW-UHFFFAOYSA-N 1 2 273.336 1.454 20 30 CDEDLO CCOCCCNC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352448605 391141440 /nfs/dbraw/zinc/14/14/40/391141440.db2.gz IKUONTAEYUNDBM-LBPRGKRZSA-N 1 2 285.363 1.245 20 30 CDEDLO CC(C)(C#N)CC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000373210600 391110907 /nfs/dbraw/zinc/11/09/07/391110907.db2.gz PMLIDCKSTMZCED-UHFFFAOYSA-N 1 2 283.335 1.823 20 30 CDEDLO Cn1c2ccccc2[nH+]c1CCN1CCO[C@@H](C#N)C1 ZINC000265492162 391156956 /nfs/dbraw/zinc/15/69/56/391156956.db2.gz KMZQKWIIIGCCLP-LBPRGKRZSA-N 1 2 270.336 1.340 20 30 CDEDLO C=C(C)CN1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000088594285 391162073 /nfs/dbraw/zinc/16/20/73/391162073.db2.gz DUBPLKSWMBDWLR-AWEZNQCLSA-N 1 2 265.401 1.191 20 30 CDEDLO Cc1cccc(C)c1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000517034096 391177975 /nfs/dbraw/zinc/17/79/75/391177975.db2.gz RJZRJEMJGJDMMJ-MRXNPFEDSA-N 1 2 273.380 1.806 20 30 CDEDLO C=CCNC(=O)CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000302055742 391292727 /nfs/dbraw/zinc/29/27/27/391292727.db2.gz QMWIURSULDEUHE-UHFFFAOYSA-N 1 2 275.356 1.181 20 30 CDEDLO C=CCNC(=O)CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000302055742 391292730 /nfs/dbraw/zinc/29/27/30/391292730.db2.gz QMWIURSULDEUHE-UHFFFAOYSA-N 1 2 275.356 1.181 20 30 CDEDLO C=CC[N@H+](Cc1ccccc1F)[C@H]1COC[C@H]1O ZINC000411192681 391406515 /nfs/dbraw/zinc/40/65/15/391406515.db2.gz RPVHLOUSYZKGPH-UONOGXRCSA-N 1 2 251.301 1.573 20 30 CDEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H]1COC[C@H]1O ZINC000411192681 391406517 /nfs/dbraw/zinc/40/65/17/391406517.db2.gz RPVHLOUSYZKGPH-UONOGXRCSA-N 1 2 251.301 1.573 20 30 CDEDLO CN1CC[C@H]([NH+]2CCC(C#N)(c3ccccn3)CC2)C1=O ZINC000367063868 391462373 /nfs/dbraw/zinc/46/23/73/391462373.db2.gz ABYZITOFIOLFPW-ZDUSSCGKSA-N 1 2 284.363 1.169 20 30 CDEDLO C=CCOCCC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000348041472 391413840 /nfs/dbraw/zinc/41/38/40/391413840.db2.gz YERSWSHPDZOPGC-OAHLLOKOSA-N 1 2 274.364 1.752 20 30 CDEDLO C=CCOCCC[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000348041472 391413841 /nfs/dbraw/zinc/41/38/41/391413841.db2.gz YERSWSHPDZOPGC-OAHLLOKOSA-N 1 2 274.364 1.752 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccon1 ZINC000349234693 391538922 /nfs/dbraw/zinc/53/89/22/391538922.db2.gz AVZIJLWBPQZGMW-NEPJUHHUSA-N 1 2 263.341 1.914 20 30 CDEDLO CC[C@@H](CC#N)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000192242255 391715881 /nfs/dbraw/zinc/71/58/81/391715881.db2.gz TUPVWKUORIIYQN-GXTWGEPZSA-N 1 2 279.384 1.438 20 30 CDEDLO CC[C@@H](CC#N)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000192242255 391715885 /nfs/dbraw/zinc/71/58/85/391715885.db2.gz TUPVWKUORIIYQN-GXTWGEPZSA-N 1 2 279.384 1.438 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H]1CCO[C@H](C(C)C)C1)C(=O)OC ZINC000361106713 391682126 /nfs/dbraw/zinc/68/21/26/391682126.db2.gz GIJGPVCHRDAVMN-RDBSUJKOSA-N 1 2 285.384 1.524 20 30 CDEDLO CC#CC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000283384126 391693657 /nfs/dbraw/zinc/69/36/57/391693657.db2.gz RUAPDIYMUUFPHW-INIZCTEOSA-N 1 2 286.375 1.508 20 30 CDEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CCCC#N ZINC000362175606 391713988 /nfs/dbraw/zinc/71/39/88/391713988.db2.gz FMTFRTRWYSOPFH-UHFFFAOYSA-N 1 2 260.341 1.872 20 30 CDEDLO Cc1nc(C2CC2)oc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000329804064 391781861 /nfs/dbraw/zinc/78/18/61/391781861.db2.gz ZVFAAUOUIQKZKE-SNVBAGLBSA-N 1 2 293.367 1.886 20 30 CDEDLO Cc1nc(C2CC2)oc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000329804064 391781863 /nfs/dbraw/zinc/78/18/63/391781863.db2.gz ZVFAAUOUIQKZKE-SNVBAGLBSA-N 1 2 293.367 1.886 20 30 CDEDLO CC1(C)C[N@H+](CCNC(=O)N[C@H]2CCSC2)CCO1 ZINC000329810841 391783030 /nfs/dbraw/zinc/78/30/30/391783030.db2.gz QZFZULYLJXDERL-NSHDSACASA-N 1 2 287.429 1.106 20 30 CDEDLO CC1(C)C[N@@H+](CCNC(=O)N[C@H]2CCSC2)CCO1 ZINC000329810841 391783033 /nfs/dbraw/zinc/78/30/33/391783033.db2.gz QZFZULYLJXDERL-NSHDSACASA-N 1 2 287.429 1.106 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1CCOC1 ZINC000329785191 391779028 /nfs/dbraw/zinc/77/90/28/391779028.db2.gz PURSSMSYXVIKQX-VXGBXAGGSA-N 1 2 256.346 1.090 20 30 CDEDLO CC(C)(C)[C@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CCO1 ZINC000331852527 391825862 /nfs/dbraw/zinc/82/58/62/391825862.db2.gz MLSSDDWFYMAKRJ-CJNGLKHVSA-N 1 2 293.411 1.542 20 30 CDEDLO CC(C)(C)[C@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CCO1 ZINC000331852527 391825865 /nfs/dbraw/zinc/82/58/65/391825865.db2.gz MLSSDDWFYMAKRJ-CJNGLKHVSA-N 1 2 293.411 1.542 20 30 CDEDLO C=CCC[N@@H+]1CCNC(=O)[C@H]1c1c(C)nc2ccccn21 ZINC000372662675 391860218 /nfs/dbraw/zinc/86/02/18/391860218.db2.gz BTSAHIJGLJOZGI-OAHLLOKOSA-N 1 2 284.363 1.692 20 30 CDEDLO C=CCC[N@H+]1CCNC(=O)[C@H]1c1c(C)nc2ccccn21 ZINC000372662675 391860220 /nfs/dbraw/zinc/86/02/20/391860220.db2.gz BTSAHIJGLJOZGI-OAHLLOKOSA-N 1 2 284.363 1.692 20 30 CDEDLO C=CCCN1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000372662675 391860222 /nfs/dbraw/zinc/86/02/22/391860222.db2.gz BTSAHIJGLJOZGI-OAHLLOKOSA-N 1 2 284.363 1.692 20 30 CDEDLO C=CCNC(=O)[C@H](C)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000372994397 391870046 /nfs/dbraw/zinc/87/00/46/391870046.db2.gz DAJXCALHZQQSEX-LBPRGKRZSA-N 1 2 276.384 1.342 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)cc1 ZINC000133160974 391918212 /nfs/dbraw/zinc/91/82/12/391918212.db2.gz HDNWQDIUMHRUBS-GJZGRUSLSA-N 1 2 269.348 1.801 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)cc1 ZINC000133160974 391918219 /nfs/dbraw/zinc/91/82/19/391918219.db2.gz HDNWQDIUMHRUBS-GJZGRUSLSA-N 1 2 269.348 1.801 20 30 CDEDLO N#Cc1ccc(NC(=O)NCc2ccc(N)[nH+]c2)cc1 ZINC000192030575 392008773 /nfs/dbraw/zinc/00/87/73/392008773.db2.gz UNPGXVLIPQAJEJ-UHFFFAOYSA-N 1 2 267.292 1.857 20 30 CDEDLO C=CCCOCCCCC(=O)NCc1[nH+]ccn1C ZINC000342823859 392037064 /nfs/dbraw/zinc/03/70/64/392037064.db2.gz JMTBUHROODBUBJ-UHFFFAOYSA-N 1 2 265.357 1.799 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000248109852 131111019 /nfs/dbraw/zinc/11/10/19/131111019.db2.gz JUKGNMZUNNLNCS-AWEZNQCLSA-N 1 2 298.390 1.995 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000248109852 131111020 /nfs/dbraw/zinc/11/10/20/131111020.db2.gz JUKGNMZUNNLNCS-AWEZNQCLSA-N 1 2 298.390 1.995 20 30 CDEDLO C[C@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000412066329 392819095 /nfs/dbraw/zinc/81/90/95/392819095.db2.gz DGAFMUYDIAKTAK-CMPLNLGQSA-N 1 2 293.392 1.651 20 30 CDEDLO C[C@H]1[C@@H](CO)CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000412066329 392819101 /nfs/dbraw/zinc/81/91/01/392819101.db2.gz DGAFMUYDIAKTAK-CMPLNLGQSA-N 1 2 293.392 1.651 20 30 CDEDLO N#Cc1ccc(C[N@H+](CCO)Cc2cccnc2)nc1 ZINC000521063291 392864767 /nfs/dbraw/zinc/86/47/67/392864767.db2.gz PACXDPQHFSKBSF-UHFFFAOYSA-N 1 2 268.320 1.343 20 30 CDEDLO N#Cc1ccc(C[N@@H+](CCO)Cc2cccnc2)nc1 ZINC000521063291 392864776 /nfs/dbraw/zinc/86/47/76/392864776.db2.gz PACXDPQHFSKBSF-UHFFFAOYSA-N 1 2 268.320 1.343 20 30 CDEDLO C[C@H]1OCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)[C@@H]1C ZINC000269064920 132106845 /nfs/dbraw/zinc/10/68/45/132106845.db2.gz VKCKDWLTGWUXGS-CHWSQXEVSA-N 1 2 287.363 1.284 20 30 CDEDLO C[C@H]1OCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)[C@@H]1C ZINC000269064920 132106846 /nfs/dbraw/zinc/10/68/46/132106846.db2.gz VKCKDWLTGWUXGS-CHWSQXEVSA-N 1 2 287.363 1.284 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000649222699 393077895 /nfs/dbraw/zinc/07/78/95/393077895.db2.gz NGDXGQKFXYZYBL-MJBXVCDLSA-N 1 2 287.363 1.368 20 30 CDEDLO N#Cc1cccc(/C=C\C(=O)N2CCn3cc[nH+]c3C2)c1 ZINC000491883547 393208546 /nfs/dbraw/zinc/20/85/46/393208546.db2.gz MDPXQJVNHWZHAB-PLNGDYQASA-N 1 2 278.315 1.810 20 30 CDEDLO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1nncn1C ZINC000230936958 140215427 /nfs/dbraw/zinc/21/54/27/140215427.db2.gz FCDFSAFVPYKBAM-VIFPVBQESA-N 1 2 259.288 1.677 20 30 CDEDLO C=CCCOCC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000650671296 398133936 /nfs/dbraw/zinc/13/39/36/398133936.db2.gz WJNAYRJVIZHUBM-CYBMUJFWSA-N 1 2 277.368 1.922 20 30 CDEDLO Cn1cnc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)n1 ZINC000353253863 155740072 /nfs/dbraw/zinc/74/00/72/155740072.db2.gz LLMDTWUKBSKVQS-ZDUSSCGKSA-N 1 2 253.309 1.464 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)NCC[NH+]2CCC2)c(Cl)c1 ZINC000355754763 157219223 /nfs/dbraw/zinc/21/92/23/157219223.db2.gz JBZGIQVJBYMSHX-UHFFFAOYSA-N 1 2 299.783 1.196 20 30 CDEDLO CC[C@H]1C[N@H+](CCNc2nccc(C)c2C#N)CCO1 ZINC000362683082 159212824 /nfs/dbraw/zinc/21/28/24/159212824.db2.gz JYHLBWSWCGXMPF-ZDUSSCGKSA-N 1 2 274.368 1.784 20 30 CDEDLO CC[C@H]1C[N@@H+](CCNc2nccc(C)c2C#N)CCO1 ZINC000362683082 159212827 /nfs/dbraw/zinc/21/28/27/159212827.db2.gz JYHLBWSWCGXMPF-ZDUSSCGKSA-N 1 2 274.368 1.784 20 30 CDEDLO COc1cc(C[N@@H+]2CC[S@@](=O)CC[C@@H]2C)ccc1C#N ZINC000373026423 160166669 /nfs/dbraw/zinc/16/66/69/160166669.db2.gz SKPUMRXTGOEIFX-YUNKPMOVSA-N 1 2 292.404 1.910 20 30 CDEDLO COc1cc(C[N@H+]2CC[S@@](=O)CC[C@@H]2C)ccc1C#N ZINC000373026423 160166670 /nfs/dbraw/zinc/16/66/70/160166670.db2.gz SKPUMRXTGOEIFX-YUNKPMOVSA-N 1 2 292.404 1.910 20 30 CDEDLO C=CCCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000661572310 414174746 /nfs/dbraw/zinc/17/47/46/414174746.db2.gz JDODWODGBYVJNU-UHFFFAOYSA-N 1 2 290.367 1.294 20 30 CDEDLO C=CCCn1cc(CN[C@H]2C[C@@H](C)n3cc[nH+]c32)nn1 ZINC000657485343 414383684 /nfs/dbraw/zinc/38/36/84/414383684.db2.gz ZKJSYGWOMCOJBS-YPMHNXCESA-N 1 2 272.356 1.846 20 30 CDEDLO C=CCN(c1cc(N2CCC(C)(O)CC2)[nH+]cn1)C1CC1 ZINC000663770529 414450668 /nfs/dbraw/zinc/45/06/68/414450668.db2.gz XFONVIFGHMDKFY-UHFFFAOYSA-N 1 2 288.395 1.983 20 30 CDEDLO C=CCN(c1cc(N2CCC(C)(O)CC2)nc[nH+]1)C1CC1 ZINC000663770529 414450675 /nfs/dbraw/zinc/45/06/75/414450675.db2.gz XFONVIFGHMDKFY-UHFFFAOYSA-N 1 2 288.395 1.983 20 30 CDEDLO Cn1cc([C@H]2C[N@H+](CCC(C)(C)C#N)C[C@@H]2CO)cn1 ZINC000347121368 226033341 /nfs/dbraw/zinc/03/33/41/226033341.db2.gz LVZMHJMQXDXCBG-ZIAGYGMSSA-N 1 2 276.384 1.368 20 30 CDEDLO Cn1cc([C@H]2C[N@@H+](CCC(C)(C)C#N)C[C@@H]2CO)cn1 ZINC000347121368 226033350 /nfs/dbraw/zinc/03/33/50/226033350.db2.gz LVZMHJMQXDXCBG-ZIAGYGMSSA-N 1 2 276.384 1.368 20 30 CDEDLO C[C@H](CN1CCOCC1)[N@H+](C)CCC(C)(C)C#N ZINC000347122943 226034020 /nfs/dbraw/zinc/03/40/20/226034020.db2.gz ICRWNVQMDVIJQB-CYBMUJFWSA-N 1 2 253.390 1.579 20 30 CDEDLO C[C@H](CN1CCOCC1)[N@@H+](C)CCC(C)(C)C#N ZINC000347122943 226034023 /nfs/dbraw/zinc/03/40/23/226034023.db2.gz ICRWNVQMDVIJQB-CYBMUJFWSA-N 1 2 253.390 1.579 20 30 CDEDLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000329031682 227264597 /nfs/dbraw/zinc/26/45/97/227264597.db2.gz BFNCTUDFYNAHPM-FDYHWXHSSA-N 1 2 270.373 1.213 20 30 CDEDLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000329031682 227264604 /nfs/dbraw/zinc/26/46/04/227264604.db2.gz BFNCTUDFYNAHPM-FDYHWXHSSA-N 1 2 270.373 1.213 20 30 CDEDLO O=C(C[N@@H+]1CCN2C(=O)CC[C@H]2C1)NCC1CCCCC1 ZINC000329054135 227275356 /nfs/dbraw/zinc/27/53/56/227275356.db2.gz SBZOMIAWPFMJOF-AWEZNQCLSA-N 1 2 293.411 1.830 20 30 CDEDLO O=C(C[N@H+]1CCN2C(=O)CC[C@H]2C1)NCC1CCCCC1 ZINC000329054135 227275362 /nfs/dbraw/zinc/27/53/62/227275362.db2.gz SBZOMIAWPFMJOF-AWEZNQCLSA-N 1 2 293.411 1.830 20 30 CDEDLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CCCN1c1nccs1 ZINC000330012099 228016413 /nfs/dbraw/zinc/01/64/13/228016413.db2.gz KAJQFNGQYQTLKP-JTQLQIEISA-N 1 2 277.353 1.992 20 30 CDEDLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CCCN1c1nccs1 ZINC000330012099 228016415 /nfs/dbraw/zinc/01/64/15/228016415.db2.gz KAJQFNGQYQTLKP-JTQLQIEISA-N 1 2 277.353 1.992 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CCC1(F)F ZINC000331890275 228135570 /nfs/dbraw/zinc/13/55/70/228135570.db2.gz RBHLUEAKJQPKEO-MFKMUULPSA-N 1 2 285.338 1.772 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CCC1(F)F ZINC000331890275 228135572 /nfs/dbraw/zinc/13/55/72/228135572.db2.gz RBHLUEAKJQPKEO-MFKMUULPSA-N 1 2 285.338 1.772 20 30 CDEDLO Cc1ccc2nc(C[N@@H+](C)[C@@H](C)CC#N)cc(=O)n2c1 ZINC000332704476 228165887 /nfs/dbraw/zinc/16/58/87/228165887.db2.gz WMKDSKQXVAMOBV-LBPRGKRZSA-N 1 2 270.336 1.737 20 30 CDEDLO Cc1ccc2nc(C[N@H+](C)[C@@H](C)CC#N)cc(=O)n2c1 ZINC000332704476 228165888 /nfs/dbraw/zinc/16/58/88/228165888.db2.gz WMKDSKQXVAMOBV-LBPRGKRZSA-N 1 2 270.336 1.737 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)NCC(F)(F)F ZINC000332474928 260011630 /nfs/dbraw/zinc/01/16/30/260011630.db2.gz MQOWRSJDYDRBFM-JGVFFNPUSA-N 1 2 251.252 1.145 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)NCC(F)(F)F ZINC000332474928 260011632 /nfs/dbraw/zinc/01/16/32/260011632.db2.gz MQOWRSJDYDRBFM-JGVFFNPUSA-N 1 2 251.252 1.145 20 30 CDEDLO COc1cccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1OC ZINC000516870403 260207405 /nfs/dbraw/zinc/20/74/05/260207405.db2.gz AMSQJMIRGALQKZ-OAHLLOKOSA-N 1 2 291.351 1.277 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000249297762 261250452 /nfs/dbraw/zinc/25/04/52/261250452.db2.gz CHIMVYSWIJYQEP-QWHCGFSZSA-N 1 2 254.374 1.520 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000249297762 261250454 /nfs/dbraw/zinc/25/04/54/261250454.db2.gz CHIMVYSWIJYQEP-QWHCGFSZSA-N 1 2 254.374 1.520 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCC(F)(F)F ZINC000104677375 261299790 /nfs/dbraw/zinc/29/97/90/261299790.db2.gz YORVRRDAICPZRV-MRVPVSSYSA-N 1 2 281.278 1.271 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCC(F)(F)F ZINC000104677375 261299792 /nfs/dbraw/zinc/29/97/92/261299792.db2.gz YORVRRDAICPZRV-MRVPVSSYSA-N 1 2 281.278 1.271 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1scnc1COC ZINC000491210242 261372037 /nfs/dbraw/zinc/37/20/37/261372037.db2.gz ROLGZPFQQZGSGJ-NSHDSACASA-N 1 2 294.376 1.544 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1scnc1COC ZINC000491210242 261372039 /nfs/dbraw/zinc/37/20/39/261372039.db2.gz ROLGZPFQQZGSGJ-NSHDSACASA-N 1 2 294.376 1.544 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000491792550 262056735 /nfs/dbraw/zinc/05/67/35/262056735.db2.gz GNANNKISPPBAHB-MJBXVCDLSA-N 1 2 276.380 1.458 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000491792550 262056737 /nfs/dbraw/zinc/05/67/37/262056737.db2.gz GNANNKISPPBAHB-MJBXVCDLSA-N 1 2 276.380 1.458 20 30 CDEDLO CC#CCC[N@@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000364336229 262206567 /nfs/dbraw/zinc/20/65/67/262206567.db2.gz KEXMQHYFOICTJW-ZDUSSCGKSA-N 1 2 282.384 1.625 20 30 CDEDLO CC#CCC[N@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000364336229 262206569 /nfs/dbraw/zinc/20/65/69/262206569.db2.gz KEXMQHYFOICTJW-ZDUSSCGKSA-N 1 2 282.384 1.625 20 30 CDEDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1CCC#N ZINC000495819396 262314415 /nfs/dbraw/zinc/31/44/15/262314415.db2.gz VAVAXMHEOYARSY-LBPRGKRZSA-N 1 2 253.346 1.889 20 30 CDEDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1CCC#N ZINC000495819396 262314416 /nfs/dbraw/zinc/31/44/16/262314416.db2.gz VAVAXMHEOYARSY-LBPRGKRZSA-N 1 2 253.346 1.889 20 30 CDEDLO C#CCCCS(=O)(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000367787508 262366044 /nfs/dbraw/zinc/36/60/44/262366044.db2.gz SQJKPNFDICQVOG-ZIAGYGMSSA-N 1 2 295.408 1.509 20 30 CDEDLO CS(=O)(=O)CC1(C[N@H+](CCC#N)CC2CC2)CC1 ZINC000336721669 262384265 /nfs/dbraw/zinc/38/42/65/262384265.db2.gz XSUQVNUMKMXNSR-UHFFFAOYSA-N 1 2 270.398 1.437 20 30 CDEDLO CS(=O)(=O)CC1(C[N@@H+](CCC#N)CC2CC2)CC1 ZINC000336721669 262384266 /nfs/dbraw/zinc/38/42/66/262384266.db2.gz XSUQVNUMKMXNSR-UHFFFAOYSA-N 1 2 270.398 1.437 20 30 CDEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1nnc(C)s1 ZINC000273624980 263018639 /nfs/dbraw/zinc/01/86/39/263018639.db2.gz RFKVOHZMSAIPPN-VIFPVBQESA-N 1 2 281.385 1.259 20 30 CDEDLO N#CC1CC[NH+](CCS(=O)(=O)Cc2ccccc2)CC1 ZINC000279479919 263055502 /nfs/dbraw/zinc/05/55/02/263055502.db2.gz NXDGTVAYPWPZNM-UHFFFAOYSA-N 1 2 292.404 1.837 20 30 CDEDLO CCN(CC#N)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000280731910 263064043 /nfs/dbraw/zinc/06/40/43/263064043.db2.gz YWBKQENNLSAPTC-UHFFFAOYSA-N 1 2 292.289 1.995 20 30 CDEDLO CO/N=C/C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000282992098 263080174 /nfs/dbraw/zinc/08/01/74/263080174.db2.gz JZAOSOILKAURBB-LDADJPATSA-N 1 2 290.367 1.710 20 30 CDEDLO CCc1ccccc1NC(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000283988739 263085287 /nfs/dbraw/zinc/08/52/87/263085287.db2.gz GWRXJFVJCAKGPA-CYBMUJFWSA-N 1 2 291.351 1.655 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)O[NH+]=C(N)[C@@H]1CCCO1 ZINC000284474632 263087139 /nfs/dbraw/zinc/08/71/39/263087139.db2.gz RLGCBLBDRORWRR-NEPJUHHUSA-N 1 2 281.356 1.043 20 30 CDEDLO C[C@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)CC(=O)N1 ZINC000294978296 263170344 /nfs/dbraw/zinc/17/03/44/263170344.db2.gz JORUMANAGNNSAD-ZDUSSCGKSA-N 1 2 286.379 1.357 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CC(=O)N1 ZINC000294978296 263170345 /nfs/dbraw/zinc/17/03/45/263170345.db2.gz JORUMANAGNNSAD-ZDUSSCGKSA-N 1 2 286.379 1.357 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2cccnc2OC)CC1 ZINC000341993169 263382331 /nfs/dbraw/zinc/38/23/31/263382331.db2.gz OIEYIHJKHPVVJW-UHFFFAOYSA-N 1 2 275.352 1.842 20 30 CDEDLO C=C(CC)C[N@@H+]1CCc2c(cccc2S(=O)(=O)NC)C1 ZINC000342039636 263386539 /nfs/dbraw/zinc/38/65/39/263386539.db2.gz WGFYZXFXLMGVIP-UHFFFAOYSA-N 1 2 294.420 1.919 20 30 CDEDLO C=C(CC)C[N@H+]1CCc2c(cccc2S(=O)(=O)NC)C1 ZINC000342039636 263386540 /nfs/dbraw/zinc/38/65/40/263386540.db2.gz WGFYZXFXLMGVIP-UHFFFAOYSA-N 1 2 294.420 1.919 20 30 CDEDLO CC(C)[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CCO1 ZINC000330735544 264037360 /nfs/dbraw/zinc/03/73/60/264037360.db2.gz LPXOBJMEOFOBPA-YCPHGPKFSA-N 1 2 295.427 1.786 20 30 CDEDLO CC(C)[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CCO1 ZINC000330735544 264037361 /nfs/dbraw/zinc/03/73/61/264037361.db2.gz LPXOBJMEOFOBPA-YCPHGPKFSA-N 1 2 295.427 1.786 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccc(C(=O)OC)cc2)nn1 ZINC000425355237 264127965 /nfs/dbraw/zinc/12/79/65/264127965.db2.gz ODZUOIQUEPJHJA-UHFFFAOYSA-N 1 2 286.335 1.541 20 30 CDEDLO CC(C)CNC(=O)NC(=O)C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331323623 264189706 /nfs/dbraw/zinc/18/97/06/264189706.db2.gz NBSQIPSPUNBMJR-GFCCVEGCSA-N 1 2 299.415 1.420 20 30 CDEDLO CC(C)CNC(=O)NC(=O)C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331323623 264189707 /nfs/dbraw/zinc/18/97/07/264189707.db2.gz NBSQIPSPUNBMJR-GFCCVEGCSA-N 1 2 299.415 1.420 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331324397 264190533 /nfs/dbraw/zinc/19/05/33/264190533.db2.gz NLZYYXHNPPSJCN-UONOGXRCSA-N 1 2 295.427 1.741 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331324397 264190535 /nfs/dbraw/zinc/19/05/35/264190535.db2.gz NLZYYXHNPPSJCN-UONOGXRCSA-N 1 2 295.427 1.741 20 30 CDEDLO CC(C)Cn1cc[nH+]c1CNC(=O)C1(C#N)CCC1 ZINC000131087912 264366649 /nfs/dbraw/zinc/36/66/49/264366649.db2.gz IJHKQWFLHIICTA-UHFFFAOYSA-N 1 2 260.341 1.849 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000424963682 264399385 /nfs/dbraw/zinc/39/93/85/264399385.db2.gz DSISAFFNPAHSAW-CMPLNLGQSA-N 1 2 285.338 1.772 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCSC[C@H]2C)nn1 ZINC000653558637 424279649 /nfs/dbraw/zinc/27/96/49/424279649.db2.gz MZCKBYBGDMXHPI-LLVKDONJSA-N 1 2 252.387 1.792 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCSC[C@H]2C)nn1 ZINC000653558637 424279661 /nfs/dbraw/zinc/27/96/61/424279661.db2.gz MZCKBYBGDMXHPI-LLVKDONJSA-N 1 2 252.387 1.792 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CCC(F)(F)F ZINC000353383100 266038571 /nfs/dbraw/zinc/03/85/71/266038571.db2.gz BPQSEJRGWBSVQT-JTQLQIEISA-N 1 2 279.306 1.879 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)CCC(F)(F)F ZINC000353383100 266038567 /nfs/dbraw/zinc/03/85/67/266038567.db2.gz BPQSEJRGWBSVQT-JTQLQIEISA-N 1 2 279.306 1.879 20 30 CDEDLO C=CCC(C)(C)CNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000458810714 266280690 /nfs/dbraw/zinc/28/06/90/266280690.db2.gz NJIDTOCIWDZQJD-UHFFFAOYSA-N 1 2 283.416 1.562 20 30 CDEDLO N#CCCN(CCC1CC1)CC[NH+]1CCOCC1 ZINC000357965991 266390804 /nfs/dbraw/zinc/39/08/04/266390804.db2.gz ULNGWOFVAAIUCX-UHFFFAOYSA-N 1 2 251.374 1.334 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)[C@H](C(N)=O)C1 ZINC000187448201 267217085 /nfs/dbraw/zinc/21/70/85/267217085.db2.gz GMVDNHHDOXMBEE-HZMBPMFUSA-N 1 2 275.327 1.783 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@H](C(N)=O)C1 ZINC000187448201 267217087 /nfs/dbraw/zinc/21/70/87/267217087.db2.gz GMVDNHHDOXMBEE-HZMBPMFUSA-N 1 2 275.327 1.783 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1cccc(C#N)c1 ZINC000493284757 267282889 /nfs/dbraw/zinc/28/28/89/267282889.db2.gz FFJWCYJCLIXCRT-KXPUMZMLSA-N 1 2 282.347 1.532 20 30 CDEDLO COc1ccc(C#N)cc1C[NH2+][C@H](CO)c1cnn(C)c1 ZINC000494812902 267609958 /nfs/dbraw/zinc/60/99/58/267609958.db2.gz VFGCSDNWRBIYHQ-CQSZACIVSA-N 1 2 286.335 1.124 20 30 CDEDLO Cc1cc(C)n(CCCNc2cc(C)[nH+]cc2C#N)n1 ZINC000399536523 270373303 /nfs/dbraw/zinc/37/33/03/270373303.db2.gz UTNFREFVQHERAC-UHFFFAOYSA-N 1 2 269.352 1.999 20 30 CDEDLO COC(=O)[C@]1(C)CN(c2cc(C)[nH+]cc2C#N)C[C@H]1C ZINC000425253680 277415299 /nfs/dbraw/zinc/41/52/99/277415299.db2.gz CXNLSEGVZMYMPZ-MEBBXXQBSA-N 1 2 273.336 1.897 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(-c2nn[nH]n2)cn1 ZINC001590419931 1173403399 /nfs/dbraw/zinc/40/33/99/1173403399.db2.gz QQQTYZQMSFGUHH-SNVBAGLBSA-N 1 2 257.301 1.044 20 30 CDEDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000189836477 279201653 /nfs/dbraw/zinc/20/16/53/279201653.db2.gz XHSNNWWKTRAWEJ-HNNXBMFYSA-N 1 2 271.364 1.905 20 30 CDEDLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000189836477 279201655 /nfs/dbraw/zinc/20/16/55/279201655.db2.gz XHSNNWWKTRAWEJ-HNNXBMFYSA-N 1 2 271.364 1.905 20 30 CDEDLO CC[N@H+](Cc1n[nH]c(=O)[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000092617912 279243258 /nfs/dbraw/zinc/24/32/58/279243258.db2.gz SLLGDTSLPISDPQ-JTQLQIEISA-N 1 2 271.324 1.553 20 30 CDEDLO CC[N@@H+](Cc1n[nH]c(=O)[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000092617912 279243260 /nfs/dbraw/zinc/24/32/60/279243260.db2.gz SLLGDTSLPISDPQ-JTQLQIEISA-N 1 2 271.324 1.553 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(F)(C#N)CC1)C1CC1 ZINC000352491216 289107469 /nfs/dbraw/zinc/10/74/69/289107469.db2.gz ONNQOXIHHNJYSA-ZDUSSCGKSA-N 1 2 278.331 1.123 20 30 CDEDLO N#Cc1cc(N2CCN(c3cccc[nH+]3)CC2)ncn1 ZINC000312725573 289428929 /nfs/dbraw/zinc/42/89/29/289428929.db2.gz IENOBMKHCQTLIE-UHFFFAOYSA-N 1 2 266.308 1.070 20 30 CDEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCOCC23CC3)cc1 ZINC000555068859 290202224 /nfs/dbraw/zinc/20/22/24/290202224.db2.gz KXKJXXHDOZAVIQ-CQSZACIVSA-N 1 2 288.347 1.163 20 30 CDEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCOCC23CC3)cc1 ZINC000555068859 290202227 /nfs/dbraw/zinc/20/22/27/290202227.db2.gz KXKJXXHDOZAVIQ-CQSZACIVSA-N 1 2 288.347 1.163 20 30 CDEDLO N#Cc1cc(NCCc2[nH]c3ccc(F)cc3[nH+]2)ncn1 ZINC000568708806 294084612 /nfs/dbraw/zinc/08/46/12/294084612.db2.gz KUMBGNSKOMOOHG-UHFFFAOYSA-N 1 2 282.282 1.440 20 30 CDEDLO N#Cc1cccc(C#N)c1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000365547147 294955726 /nfs/dbraw/zinc/95/57/26/294955726.db2.gz OBUZKHNMCQYKCJ-HNNXBMFYSA-N 1 2 282.347 1.341 20 30 CDEDLO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CCOCC2(CC2)C1 ZINC000329477383 298243891 /nfs/dbraw/zinc/24/38/91/298243891.db2.gz UMRNANKYOOJAID-LLVKDONJSA-N 1 2 276.340 1.566 20 30 CDEDLO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCOCC2(CC2)C1 ZINC000329477383 298243895 /nfs/dbraw/zinc/24/38/95/298243895.db2.gz UMRNANKYOOJAID-LLVKDONJSA-N 1 2 276.340 1.566 20 30 CDEDLO CCn1c[nH+]cc1CN1CCN(c2cnccc2C#N)CC1 ZINC000577085742 317264141 /nfs/dbraw/zinc/26/41/41/317264141.db2.gz UWIJEKBYZXRBIC-UHFFFAOYSA-N 1 2 296.378 1.492 20 30 CDEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000563367613 328059937 /nfs/dbraw/zinc/05/99/37/328059937.db2.gz WGLCTXVDBIUQOO-JQWIXIFHSA-N 1 2 288.351 1.394 20 30 CDEDLO COC(=O)c1ccoc1CO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000266247092 328168508 /nfs/dbraw/zinc/16/85/08/328168508.db2.gz YZJWIPIINURHKL-SNVBAGLBSA-N 1 2 298.339 1.916 20 30 CDEDLO COc1ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc1F ZINC000571650802 328200712 /nfs/dbraw/zinc/20/07/12/328200712.db2.gz NIQTVNQZTVAKGR-LLVKDONJSA-N 1 2 282.315 1.419 20 30 CDEDLO COc1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc1F ZINC000571650802 328200713 /nfs/dbraw/zinc/20/07/13/328200713.db2.gz NIQTVNQZTVAKGR-LLVKDONJSA-N 1 2 282.315 1.419 20 30 CDEDLO CC(C)[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)c1[nH]cc[nH+]1 ZINC000296001160 328288638 /nfs/dbraw/zinc/28/86/38/328288638.db2.gz MAIWRPPXMZSGPS-WDEREUQCSA-N 1 2 299.400 1.033 20 30 CDEDLO CO[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000331016788 328474059 /nfs/dbraw/zinc/47/40/59/328474059.db2.gz VIHMATQECKIZTJ-CHWSQXEVSA-N 1 2 292.383 1.719 20 30 CDEDLO CCc1nc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)co1 ZINC000331055749 328476799 /nfs/dbraw/zinc/47/67/99/328476799.db2.gz KQUPNZYQGOWJIN-MNOVXSKESA-N 1 2 281.356 1.651 20 30 CDEDLO C[C@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)CC(C)(C)O1 ZINC000582666999 325019700 /nfs/dbraw/zinc/01/97/00/325019700.db2.gz QHHBGGGMTQTLOM-NSHDSACASA-N 1 2 285.351 1.600 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CC(C)(C)O1 ZINC000582666999 325019704 /nfs/dbraw/zinc/01/97/04/325019704.db2.gz QHHBGGGMTQTLOM-NSHDSACASA-N 1 2 285.351 1.600 20 30 CDEDLO N#CC1(CNC(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000563830377 328522321 /nfs/dbraw/zinc/52/23/21/328522321.db2.gz IZVGDDQXLWUZCC-UHFFFAOYSA-N 1 2 261.329 1.266 20 30 CDEDLO COCC[N@H+](Cc1cccnc1)Cc1ccc(C#N)cn1 ZINC000583850482 325251663 /nfs/dbraw/zinc/25/16/63/325251663.db2.gz PPYKRSPWPPYCAT-UHFFFAOYSA-N 1 2 282.347 1.997 20 30 CDEDLO COCC[N@@H+](Cc1cccnc1)Cc1ccc(C#N)cn1 ZINC000583850482 325251665 /nfs/dbraw/zinc/25/16/65/325251665.db2.gz PPYKRSPWPPYCAT-UHFFFAOYSA-N 1 2 282.347 1.997 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1ccc(F)cc1 ZINC000558898025 327130032 /nfs/dbraw/zinc/13/00/32/327130032.db2.gz GEJHGNXQBLWAFS-AWEZNQCLSA-N 1 2 279.315 1.165 20 30 CDEDLO C#CC[N@@H+](Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000092194220 327187649 /nfs/dbraw/zinc/18/76/49/327187649.db2.gz CXZMIXJJMOFCLD-GFCCVEGCSA-N 1 2 283.418 1.679 20 30 CDEDLO C#CC[N@H+](Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000092194220 327187650 /nfs/dbraw/zinc/18/76/50/327187650.db2.gz CXZMIXJJMOFCLD-GFCCVEGCSA-N 1 2 283.418 1.679 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000562322874 327470249 /nfs/dbraw/zinc/47/02/49/327470249.db2.gz UTCSVDZYAVXQIB-LLVKDONJSA-N 1 2 282.325 1.230 20 30 CDEDLO C#CCCCNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000177840896 329193220 /nfs/dbraw/zinc/19/32/20/329193220.db2.gz OHIMFCCGVRPZHX-UONOGXRCSA-N 1 2 274.368 1.889 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@H](CC)O[C@@H](CC)C1 ZINC000420946979 329790057 /nfs/dbraw/zinc/79/00/57/329790057.db2.gz CIUFZOYKEWGHPO-AVGNSLFASA-N 1 2 297.399 1.276 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000448564537 330663279 /nfs/dbraw/zinc/66/32/79/330663279.db2.gz JULVWGDWNNGCNG-KGLIPLIRSA-N 1 2 287.363 1.321 20 30 CDEDLO C[C@H]1C[C@@]1(C#N)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000451284076 331023073 /nfs/dbraw/zinc/02/30/73/331023073.db2.gz JDKOZJLVVBCJFD-WFASDCNBSA-N 1 2 279.384 1.105 20 30 CDEDLO C[C@H]1C[C@@]1(C#N)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000451284076 331023074 /nfs/dbraw/zinc/02/30/74/331023074.db2.gz JDKOZJLVVBCJFD-WFASDCNBSA-N 1 2 279.384 1.105 20 30 CDEDLO C=CC(C)(C)CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000455389029 331168431 /nfs/dbraw/zinc/16/84/31/331168431.db2.gz SIYKFBIRJHCQFL-KBPBESRZSA-N 1 2 295.427 1.703 20 30 CDEDLO N#CC1(F)CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000459465420 331283049 /nfs/dbraw/zinc/28/30/49/331283049.db2.gz OGPJFFBMNXHZST-UHFFFAOYSA-N 1 2 256.712 1.864 20 30 CDEDLO C=CCCCS(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000489612053 332061667 /nfs/dbraw/zinc/06/16/67/332061667.db2.gz XVITYKRLQSDZQL-CQSZACIVSA-N 1 2 296.392 1.831 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cc(=O)n2c(C)csc2n1 ZINC000490842198 332120120 /nfs/dbraw/zinc/12/01/20/332120120.db2.gz ZVTITUPKWQQLEQ-UHFFFAOYSA-N 1 2 285.372 1.523 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cc(=O)n2c(C)csc2n1 ZINC000490842198 332120121 /nfs/dbraw/zinc/12/01/21/332120121.db2.gz ZVTITUPKWQQLEQ-UHFFFAOYSA-N 1 2 285.372 1.523 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)N=c2nc(CCC)[nH]s2)CC1 ZINC000491023024 332140314 /nfs/dbraw/zinc/14/03/14/332140314.db2.gz VETZYJMNMXCEHL-UHFFFAOYSA-N 1 2 292.408 1.196 20 30 CDEDLO C#CCNC(=O)C1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000491104950 332150362 /nfs/dbraw/zinc/15/03/62/332150362.db2.gz UQFXFPSDYHGLRW-UHFFFAOYSA-N 1 2 284.363 1.320 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cc1nnc2n1c1ccccc1c(=O)n2C ZINC000491327951 332191496 /nfs/dbraw/zinc/19/14/96/332191496.db2.gz ZFDIIGITOSQMNA-LLVKDONJSA-N 1 2 295.346 1.035 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cc1nnc2n1c1ccccc1c(=O)n2C ZINC000491327951 332191497 /nfs/dbraw/zinc/19/14/97/332191497.db2.gz ZFDIIGITOSQMNA-LLVKDONJSA-N 1 2 295.346 1.035 20 30 CDEDLO C#CC[N@@H+](CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000491349331 332194423 /nfs/dbraw/zinc/19/44/23/332194423.db2.gz HYVCYQKWCYMUKG-KBPBESRZSA-N 1 2 285.409 1.068 20 30 CDEDLO C#CC[N@H+](CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000491349331 332194425 /nfs/dbraw/zinc/19/44/25/332194425.db2.gz HYVCYQKWCYMUKG-KBPBESRZSA-N 1 2 285.409 1.068 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](O)Cc1cccc(Cl)c1 ZINC000491372413 332199040 /nfs/dbraw/zinc/19/90/40/332199040.db2.gz JHEKKSQJEBNRIE-CABCVRRESA-N 1 2 279.767 1.577 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](O)Cc1cccc(Cl)c1 ZINC000491372413 332199041 /nfs/dbraw/zinc/19/90/41/332199041.db2.gz JHEKKSQJEBNRIE-CABCVRRESA-N 1 2 279.767 1.577 20 30 CDEDLO C#C[C@H](CC)NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000491385354 332201969 /nfs/dbraw/zinc/20/19/69/332201969.db2.gz RCTTZERJVWLXCR-OAHLLOKOSA-N 1 2 286.379 1.321 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](O)COc1ccccc1C ZINC000491408780 332206641 /nfs/dbraw/zinc/20/66/41/332206641.db2.gz WTXUNLHNRMOQIK-HUUCEWRRSA-N 1 2 275.348 1.069 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](O)COc1ccccc1C ZINC000491408780 332206642 /nfs/dbraw/zinc/20/66/42/332206642.db2.gz WTXUNLHNRMOQIK-HUUCEWRRSA-N 1 2 275.348 1.069 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(C)ccc1OC ZINC000491441993 332212643 /nfs/dbraw/zinc/21/26/43/332212643.db2.gz YUZABMPJHIECAS-GFCCVEGCSA-N 1 2 260.337 1.896 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cc(C)ccc1OC ZINC000491441993 332212645 /nfs/dbraw/zinc/21/26/45/332212645.db2.gz YUZABMPJHIECAS-GFCCVEGCSA-N 1 2 260.337 1.896 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cc(C)nn1C(C)(C)C ZINC000491462030 332215934 /nfs/dbraw/zinc/21/59/34/332215934.db2.gz GJWHYQLIMJBGPD-LBPRGKRZSA-N 1 2 276.384 1.839 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cc(C)nn1C(C)(C)C ZINC000491462030 332215936 /nfs/dbraw/zinc/21/59/36/332215936.db2.gz GJWHYQLIMJBGPD-LBPRGKRZSA-N 1 2 276.384 1.839 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCCO[C@H]1CCCC[C@@H]1C)C1CC1 ZINC000491536948 332232297 /nfs/dbraw/zinc/23/22/97/332232297.db2.gz NEORLKOCKURFIT-HOCLYGCPSA-N 1 2 292.423 1.796 20 30 CDEDLO C#CC[N@H+](CC(=O)NCCO[C@H]1CCCC[C@@H]1C)C1CC1 ZINC000491536948 332232298 /nfs/dbraw/zinc/23/22/98/332232298.db2.gz NEORLKOCKURFIT-HOCLYGCPSA-N 1 2 292.423 1.796 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)N(C)c1ccccc1 ZINC000491665473 332274112 /nfs/dbraw/zinc/27/41/12/332274112.db2.gz RZCYUUGYQAKJEH-CQSZACIVSA-N 1 2 272.348 1.374 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)N(C)c1ccccc1 ZINC000491665473 332274113 /nfs/dbraw/zinc/27/41/13/332274113.db2.gz RZCYUUGYQAKJEH-CQSZACIVSA-N 1 2 272.348 1.374 20 30 CDEDLO C#C[C@H](CCC)NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000491734454 332315265 /nfs/dbraw/zinc/31/52/65/332315265.db2.gz LCKCBKWXGGGLAS-CYBMUJFWSA-N 1 2 274.368 1.749 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000491779265 332344194 /nfs/dbraw/zinc/34/41/94/332344194.db2.gz ZMJSVBLFLFFSMU-GXTWGEPZSA-N 1 2 271.364 1.902 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000491779265 332344196 /nfs/dbraw/zinc/34/41/96/332344196.db2.gz ZMJSVBLFLFFSMU-GXTWGEPZSA-N 1 2 271.364 1.902 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000491820420 332370172 /nfs/dbraw/zinc/37/01/72/332370172.db2.gz RJVLVFMSHUWIQJ-CYBMUJFWSA-N 1 2 286.379 1.845 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000492133555 332384231 /nfs/dbraw/zinc/38/42/31/332384231.db2.gz NFZMKJPLXIHLBB-WDEREUQCSA-N 1 2 255.362 1.991 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000492133555 332384232 /nfs/dbraw/zinc/38/42/32/332384232.db2.gz NFZMKJPLXIHLBB-WDEREUQCSA-N 1 2 255.362 1.991 20 30 CDEDLO N#CCOc1cccc(NC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000493124499 332427350 /nfs/dbraw/zinc/42/73/50/332427350.db2.gz OLVJYTGECKWSCL-PLNGDYQASA-N 1 2 268.276 1.964 20 30 CDEDLO C#CC[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)C(=O)OC ZINC000496593050 332554116 /nfs/dbraw/zinc/55/41/16/332554116.db2.gz UWVOORXAKWSVAH-LLVKDONJSA-N 1 2 284.356 1.056 20 30 CDEDLO CC(C)[C@@H](C#N)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000499193959 332582115 /nfs/dbraw/zinc/58/21/15/332582115.db2.gz OKQBOMJLEPSNHF-MGPQQGTHSA-N 1 2 286.379 1.818 20 30 CDEDLO N#CC1(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000524501182 333363777 /nfs/dbraw/zinc/36/37/77/333363777.db2.gz URBIQYYXUOCPRE-UHFFFAOYSA-N 1 2 266.304 1.717 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1coc(S(C)(=O)=O)c1 ZINC000528520849 333444166 /nfs/dbraw/zinc/44/41/66/333444166.db2.gz ODQCFJMQSHCXNX-JTQLQIEISA-N 1 2 256.327 1.465 20 30 CDEDLO C=C(CC)C[NH+]1CCN(S(=O)(=O)C2CC2)CC1 ZINC000528614615 333448837 /nfs/dbraw/zinc/44/88/37/333448837.db2.gz COWQQCFYEYPQES-UHFFFAOYSA-N 1 2 258.387 1.062 20 30 CDEDLO CCc1cc(=O)[nH]c(C[NH+]2CCC(CC#N)CC2)n1 ZINC000541949804 333803548 /nfs/dbraw/zinc/80/35/48/333803548.db2.gz YXUWSSRPQPUJJO-UHFFFAOYSA-N 1 2 260.341 1.870 20 30 CDEDLO CC#CC[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000135268289 334122739 /nfs/dbraw/zinc/12/27/39/334122739.db2.gz XWUVXBRRIGMJSE-NSHDSACASA-N 1 2 281.153 1.588 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001754471864 1159222545 /nfs/dbraw/zinc/22/25/45/1159222545.db2.gz FNXGRWJCPMLQPB-LSDHHAIUSA-N 1 2 276.380 1.183 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001754471864 1159222550 /nfs/dbraw/zinc/22/25/50/1159222550.db2.gz FNXGRWJCPMLQPB-LSDHHAIUSA-N 1 2 276.380 1.183 20 30 CDEDLO CC(C)c1noc(CCC(=O)N[C@@](C)(C#N)C[NH+](C)C)n1 ZINC000564871342 334525181 /nfs/dbraw/zinc/52/51/81/334525181.db2.gz GYCYBROKHOVGHT-AWEZNQCLSA-N 1 2 293.371 1.086 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1cccc(Cl)c1 ZINC000564872410 334525281 /nfs/dbraw/zinc/52/52/81/334525281.db2.gz KSHSGTAOOWAVRM-AWEZNQCLSA-N 1 2 279.771 1.843 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCCN(C)C1=O ZINC001754490459 1159242086 /nfs/dbraw/zinc/24/20/86/1159242086.db2.gz QBBMUXPTBWILTO-QWHCGFSZSA-N 1 2 293.411 1.010 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCCN(C)C1=O ZINC001754490459 1159242091 /nfs/dbraw/zinc/24/20/91/1159242091.db2.gz QBBMUXPTBWILTO-QWHCGFSZSA-N 1 2 293.411 1.010 20 30 CDEDLO C=C(C)COCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000581616731 336113246 /nfs/dbraw/zinc/11/32/46/336113246.db2.gz WODKYEFLMNXJLD-NSHDSACASA-N 1 2 251.330 1.297 20 30 CDEDLO C=C(C)COCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000581616731 336113247 /nfs/dbraw/zinc/11/32/47/336113247.db2.gz WODKYEFLMNXJLD-NSHDSACASA-N 1 2 251.330 1.297 20 30 CDEDLO C=C(CNC(=O)NCCn1cc[nH+]c1)c1ccccc1 ZINC000672686323 482587895 /nfs/dbraw/zinc/58/78/95/482587895.db2.gz FEFYVJCSRXECLJ-UHFFFAOYSA-N 1 2 270.336 1.896 20 30 CDEDLO C=C[C@](C)(O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000665838255 482724559 /nfs/dbraw/zinc/72/45/59/482724559.db2.gz VIQXJMVCBUHRCX-INIZCTEOSA-N 1 2 285.347 1.485 20 30 CDEDLO COCC#CC[N@H+](CCO)Cc1ccc(OC)cc1OC ZINC000677816802 482792444 /nfs/dbraw/zinc/79/24/44/482792444.db2.gz AQLDSGIHHMOASL-UHFFFAOYSA-N 1 2 293.363 1.148 20 30 CDEDLO COCC#CC[N@@H+](CCO)Cc1ccc(OC)cc1OC ZINC000677816802 482792448 /nfs/dbraw/zinc/79/24/48/482792448.db2.gz AQLDSGIHHMOASL-UHFFFAOYSA-N 1 2 293.363 1.148 20 30 CDEDLO COCC#CC[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000677817268 482794294 /nfs/dbraw/zinc/79/42/94/482794294.db2.gz MBKDAFGPDUXOKQ-UHFFFAOYSA-N 1 2 281.359 1.880 20 30 CDEDLO COCC#CC[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000677817268 482794298 /nfs/dbraw/zinc/79/42/98/482794298.db2.gz MBKDAFGPDUXOKQ-UHFFFAOYSA-N 1 2 281.359 1.880 20 30 CDEDLO COCC#CC[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000677820801 482797019 /nfs/dbraw/zinc/79/70/19/482797019.db2.gz XKOYCFBCJBIFAJ-UHFFFAOYSA-N 1 2 251.276 1.973 20 30 CDEDLO COCC#CC[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000677820801 482797028 /nfs/dbraw/zinc/79/70/28/482797028.db2.gz XKOYCFBCJBIFAJ-UHFFFAOYSA-N 1 2 251.276 1.973 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000675024380 483210240 /nfs/dbraw/zinc/21/02/40/483210240.db2.gz VZPIVAPTUAKRSL-NSHDSACASA-N 1 2 284.363 1.653 20 30 CDEDLO C=CCCOCC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000654005043 483315379 /nfs/dbraw/zinc/31/53/79/483315379.db2.gz LWBUWWXSYKDBNF-LLVKDONJSA-N 1 2 251.330 1.673 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](CC)OC)C1 ZINC001713892811 1178822456 /nfs/dbraw/zinc/82/24/56/1178822456.db2.gz KIDPOHJQDTURDQ-LLVKDONJSA-N 1 2 260.765 1.212 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CC(F)(F)C(F)F)CC1 ZINC001113348199 1162158550 /nfs/dbraw/zinc/15/85/50/1162158550.db2.gz CAONKXAMDDGLJT-UHFFFAOYSA-N 1 2 268.254 1.607 20 30 CDEDLO C#CCN(CC#C)c1cc(C)c(C(=O)OCC)c(C)[nH+]1 ZINC001157560839 1162180853 /nfs/dbraw/zinc/18/08/53/1162180853.db2.gz ISOPTQOKKWSXKL-UHFFFAOYSA-N 1 2 270.332 1.948 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)CC(C)(C)O1 ZINC000068474402 524578580 /nfs/dbraw/zinc/57/85/80/524578580.db2.gz FSMYTXHDHASGFH-ZDUSSCGKSA-N 1 2 292.383 1.142 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC(C)(C)O1 ZINC000068474402 524578586 /nfs/dbraw/zinc/57/85/86/524578586.db2.gz FSMYTXHDHASGFH-ZDUSSCGKSA-N 1 2 292.383 1.142 20 30 CDEDLO Cc1ccc2[nH+]c(CNc3ccnc(C#N)c3)cn2c1 ZINC000341591655 526247746 /nfs/dbraw/zinc/24/77/46/526247746.db2.gz OHGUETIZUHPSQQ-UHFFFAOYSA-N 1 2 263.304 1.943 20 30 CDEDLO Cc1nc(N2CCN(Cc3ccccc3C#N)CC2)cc[nH+]1 ZINC000183798653 527347558 /nfs/dbraw/zinc/34/75/58/527347558.db2.gz METSUHIWLOWYDP-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000347954849 527382674 /nfs/dbraw/zinc/38/26/74/527382674.db2.gz KPRUWTHAUQTHCR-QWRGUYRKSA-N 1 2 251.330 1.958 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000333383694 527484803 /nfs/dbraw/zinc/48/48/03/527484803.db2.gz BOFKVOQEGNTBTG-NEPJUHHUSA-N 1 2 295.383 1.036 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000352610839 527546863 /nfs/dbraw/zinc/54/68/63/527546863.db2.gz YHTNRIMNFGJCAS-QGZVFWFLSA-N 1 2 299.374 1.875 20 30 CDEDLO C=CCN(CC=C)C(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000354575235 527601827 /nfs/dbraw/zinc/60/18/27/527601827.db2.gz PUTHAEZBBKTCDT-UHFFFAOYSA-N 1 2 298.346 1.151 20 30 CDEDLO CCC[C@]1([NH+]=C([O-])N[C@H]2CCc3[nH]c[nH+]c3C2)CCOC1 ZINC000329603949 528527221 /nfs/dbraw/zinc/52/72/21/528527221.db2.gz GPSJPSGXXCLCGK-NHYWBVRUSA-N 1 2 292.383 1.730 20 30 CDEDLO CCC[C@]1([NH+]=C([O-])N[C@H]2CCc3[nH+]c[nH]c3C2)CCOC1 ZINC000329603949 528527226 /nfs/dbraw/zinc/52/72/26/528527226.db2.gz GPSJPSGXXCLCGK-NHYWBVRUSA-N 1 2 292.383 1.730 20 30 CDEDLO CC[C@H](C)c1nnc([C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)[nH]1 ZINC000330184455 529276445 /nfs/dbraw/zinc/27/64/45/529276445.db2.gz IMIASAWHWGDHEQ-GARJFASQSA-N 1 2 295.387 1.666 20 30 CDEDLO CC[C@H](C)c1nnc([C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)[nH]1 ZINC000330184455 529276447 /nfs/dbraw/zinc/27/64/47/529276447.db2.gz IMIASAWHWGDHEQ-GARJFASQSA-N 1 2 295.387 1.666 20 30 CDEDLO CC[C@H](C)c1nc([C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)n[nH]1 ZINC000330184455 529276449 /nfs/dbraw/zinc/27/64/49/529276449.db2.gz IMIASAWHWGDHEQ-GARJFASQSA-N 1 2 295.387 1.666 20 30 CDEDLO CC[C@H](C)c1nc([C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)n[nH]1 ZINC000330184455 529276450 /nfs/dbraw/zinc/27/64/50/529276450.db2.gz IMIASAWHWGDHEQ-GARJFASQSA-N 1 2 295.387 1.666 20 30 CDEDLO CC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(N)=O ZINC000191709407 535766686 /nfs/dbraw/zinc/76/66/86/535766686.db2.gz ZIIRBFPPPYDAHC-UHFFFAOYSA-N 1 2 284.281 1.864 20 30 CDEDLO CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(N)=O ZINC000191709407 535766689 /nfs/dbraw/zinc/76/66/89/535766689.db2.gz ZIIRBFPPPYDAHC-UHFFFAOYSA-N 1 2 284.281 1.864 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H]2C#N)C1 ZINC000329661419 538608943 /nfs/dbraw/zinc/60/89/43/538608943.db2.gz OLRSWWUGJBEHDO-JHJVBQTASA-N 1 2 287.367 1.816 20 30 CDEDLO C[C@H](CNC(=O)C[C@H]1CCOC1)[NH+]1CCOCC1 ZINC000329769240 538643885 /nfs/dbraw/zinc/64/38/85/538643885.db2.gz FFOIZGJOFRXDMT-VXGBXAGGSA-N 1 2 256.346 1.090 20 30 CDEDLO CC[C@H](C#N)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000726533571 574499985 /nfs/dbraw/zinc/49/99/85/574499985.db2.gz QBDWWKYWSQHXJZ-LLVKDONJSA-N 1 2 255.281 1.299 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000730097021 574849275 /nfs/dbraw/zinc/84/92/75/574849275.db2.gz WIUAZBZCMYIONA-AWEZNQCLSA-N 1 2 295.346 1.303 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000730097021 574849278 /nfs/dbraw/zinc/84/92/78/574849278.db2.gz WIUAZBZCMYIONA-AWEZNQCLSA-N 1 2 295.346 1.303 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)nc1 ZINC000730833991 575014961 /nfs/dbraw/zinc/01/49/61/575014961.db2.gz WFRGAFPKDPVNTO-UHFFFAOYSA-N 1 2 279.299 1.361 20 30 CDEDLO C[N@@H+](Cc1cccc(C(N)=O)c1)C[C@@H](C#N)CCC#N ZINC000732921906 575098979 /nfs/dbraw/zinc/09/89/79/575098979.db2.gz JUXKFYMBGIQBGW-CYBMUJFWSA-N 1 2 270.336 1.661 20 30 CDEDLO C[N@H+](Cc1cccc(C(N)=O)c1)C[C@@H](C#N)CCC#N ZINC000732921906 575098980 /nfs/dbraw/zinc/09/89/80/575098980.db2.gz JUXKFYMBGIQBGW-CYBMUJFWSA-N 1 2 270.336 1.661 20 30 CDEDLO Cc1noc(CO[NH+]=C(N)c2ccc(F)cc2)n1 ZINC000733894856 575145123 /nfs/dbraw/zinc/14/51/23/575145123.db2.gz IFCYOMYWMQUYHX-UHFFFAOYSA-N 1 2 250.233 1.354 20 30 CDEDLO N#Cc1ccccc1/C=C\C(=O)NCc1[nH]cc[nH+]1 ZINC000733955918 575148216 /nfs/dbraw/zinc/14/82/16/575148216.db2.gz SRDNTPQXMHNXJZ-WAYWQWQTSA-N 1 2 252.277 1.611 20 30 CDEDLO C#CC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000760100253 576458190 /nfs/dbraw/zinc/45/81/90/576458190.db2.gz HKXVADHJARREQG-UHFFFAOYSA-N 1 2 292.136 1.655 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CCO)cc1 ZINC000762642892 576660285 /nfs/dbraw/zinc/66/02/85/576660285.db2.gz YCRFLSGCRHWHPR-HNNXBMFYSA-N 1 2 272.348 1.258 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CCO)cc1 ZINC000762642892 576660286 /nfs/dbraw/zinc/66/02/86/576660286.db2.gz YCRFLSGCRHWHPR-HNNXBMFYSA-N 1 2 272.348 1.258 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CCCCCC1 ZINC000736168765 575582292 /nfs/dbraw/zinc/58/22/92/575582292.db2.gz MEZXHPLBYYWQKI-AWEZNQCLSA-N 1 2 278.396 1.286 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CCCCCC1 ZINC000736168765 575582295 /nfs/dbraw/zinc/58/22/95/575582295.db2.gz MEZXHPLBYYWQKI-AWEZNQCLSA-N 1 2 278.396 1.286 20 30 CDEDLO C=CC[N@H+](CN1C(=O)NC2(CCCCC2)C1=O)C1CC1 ZINC000771640495 575599718 /nfs/dbraw/zinc/59/97/18/575599718.db2.gz NVHQJWOICKBDEN-UHFFFAOYSA-N 1 2 277.368 1.849 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)NC2(CCCCC2)C1=O)C1CC1 ZINC000771640495 575599719 /nfs/dbraw/zinc/59/97/19/575599719.db2.gz NVHQJWOICKBDEN-UHFFFAOYSA-N 1 2 277.368 1.849 20 30 CDEDLO C[C@@H](C#N)CNN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000771099685 575635176 /nfs/dbraw/zinc/63/51/76/575635176.db2.gz QZCHXDJAMXWCNS-LBPRGKRZSA-N 1 2 253.309 1.955 20 30 CDEDLO CON=CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000773847278 575841063 /nfs/dbraw/zinc/84/10/63/575841063.db2.gz IIJWOXMCUCCHCD-UHFFFAOYSA-N 1 2 276.271 1.260 20 30 CDEDLO C=C(Cl)CNC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000773996544 575847455 /nfs/dbraw/zinc/84/74/55/575847455.db2.gz ZLODGEBKJSVTIP-NWDGAFQWSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)CNC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000773996544 575847456 /nfs/dbraw/zinc/84/74/56/575847456.db2.gz ZLODGEBKJSVTIP-NWDGAFQWSA-N 1 2 274.792 1.745 20 30 CDEDLO O=C(C=Cc1[nH]cc[nH+]1)c1cccc(-c2nn[nH]n2)c1 ZINC000737810003 576013622 /nfs/dbraw/zinc/01/36/22/576013622.db2.gz WUERQXIWNQDHMA-PLNGDYQASA-N 1 2 266.264 1.486 20 30 CDEDLO C#CC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000766037917 576073593 /nfs/dbraw/zinc/07/35/93/576073593.db2.gz HWUIPBJCLDDSJI-UKRRQHHQSA-N 1 2 292.766 1.461 20 30 CDEDLO C#CC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000766037917 576073595 /nfs/dbraw/zinc/07/35/95/576073595.db2.gz HWUIPBJCLDDSJI-UKRRQHHQSA-N 1 2 292.766 1.461 20 30 CDEDLO Cc1ccc(CCC=Nn2c(=O)cn[nH]c2=S)c[nH+]1 ZINC000766473419 576105870 /nfs/dbraw/zinc/10/58/70/576105870.db2.gz GKDHCXJEQSQHQM-UHFFFAOYSA-N 1 2 275.337 1.097 20 30 CDEDLO C#CCCCCC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767584541 576207625 /nfs/dbraw/zinc/20/76/25/576207625.db2.gz HTWGAKARVHWPRC-OKILXGFUSA-N 1 2 265.353 1.586 20 30 CDEDLO C#CCCCCC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767584541 576207626 /nfs/dbraw/zinc/20/76/26/576207626.db2.gz HTWGAKARVHWPRC-OKILXGFUSA-N 1 2 265.353 1.586 20 30 CDEDLO N#Cc1cnc(NC(=O)CCCn2cc[nH+]c2)s1 ZINC000759635040 576413584 /nfs/dbraw/zinc/41/35/84/576413584.db2.gz YXUAAAKSSOGUCV-UHFFFAOYSA-N 1 2 261.310 1.630 20 30 CDEDLO Fc1ccc(C=NNc2ccc(-n3cc[nH+]c3)nn2)cn1 ZINC000761855522 576598272 /nfs/dbraw/zinc/59/82/72/576598272.db2.gz PHYLBUNCGJTLMH-UHFFFAOYSA-N 1 2 283.270 1.642 20 30 CDEDLO Cc1nc(NCCNc2ccc(C#N)cn2)cc[nH+]1 ZINC000742391400 576599551 /nfs/dbraw/zinc/59/95/51/576599551.db2.gz JBMWMBCERHQPQV-UHFFFAOYSA-N 1 2 254.297 1.576 20 30 CDEDLO CC#CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000764138224 576782142 /nfs/dbraw/zinc/78/21/42/576782142.db2.gz TZKWCWRYGOXQFZ-HNNXBMFYSA-N 1 2 272.348 1.199 20 30 CDEDLO CC(N=NC1=[NH+][C@@H]2CCCC[C@H]2N1)[C@H]1CCOC1 ZINC000753941116 576868026 /nfs/dbraw/zinc/86/80/26/576868026.db2.gz WZWDOTMUOYTDOP-QJPTWQEYSA-N 1 2 250.346 1.259 20 30 CDEDLO N#Cc1cc(COC(=O)Cc2cn3ccccc3[nH+]2)ccn1 ZINC000754720201 576912276 /nfs/dbraw/zinc/91/22/76/576912276.db2.gz YMNMRXCVXCDIRS-UHFFFAOYSA-N 1 2 292.298 1.887 20 30 CDEDLO COCCON=C(C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000748792296 576925369 /nfs/dbraw/zinc/92/53/69/576925369.db2.gz XKDZKURDWRSJRJ-INIZCTEOSA-N 1 2 292.379 1.926 20 30 CDEDLO COCCON=C(C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000748792296 576925370 /nfs/dbraw/zinc/92/53/70/576925370.db2.gz XKDZKURDWRSJRJ-INIZCTEOSA-N 1 2 292.379 1.926 20 30 CDEDLO C#CCOCCC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000755634588 576953009 /nfs/dbraw/zinc/95/30/09/576953009.db2.gz WRGYVNMPMHNZBA-ZDUSSCGKSA-N 1 2 277.368 1.454 20 30 CDEDLO Cn1c[nH+]cc1CN=Nc1nc(-c2ccccc2)no1 ZINC000755682826 576955356 /nfs/dbraw/zinc/95/53/56/576955356.db2.gz KZNQZKQLJVIBKS-UHFFFAOYSA-N 1 2 268.280 1.916 20 30 CDEDLO Cn1c[nH+]cc1C=Nn1cc(Br)cn1 ZINC000755815356 576962590 /nfs/dbraw/zinc/96/25/90/576962590.db2.gz UDINVIOICSYSEA-UHFFFAOYSA-N 1 2 254.091 1.261 20 30 CDEDLO C#CCOCCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000755859195 576964941 /nfs/dbraw/zinc/96/49/41/576964941.db2.gz DRGODQJVOYXCKR-ZDUSSCGKSA-N 1 2 261.325 1.087 20 30 CDEDLO C[N@@H+](Cc1cccc(C#N)c1)Cn1cccc(C#N)c1=O ZINC000758206990 577081710 /nfs/dbraw/zinc/08/17/10/577081710.db2.gz PVHFLAVRERVYHR-UHFFFAOYSA-N 1 2 278.315 1.681 20 30 CDEDLO C[N@H+](Cc1cccc(C#N)c1)Cn1cccc(C#N)c1=O ZINC000758206990 577081712 /nfs/dbraw/zinc/08/17/12/577081712.db2.gz PVHFLAVRERVYHR-UHFFFAOYSA-N 1 2 278.315 1.681 20 30 CDEDLO C=CCCCCC[N@@H+](C)Cn1nc2cnccn2c1=O ZINC000758331726 577098879 /nfs/dbraw/zinc/09/88/79/577098879.db2.gz GUNSQDINAHRURI-UHFFFAOYSA-N 1 2 275.356 1.527 20 30 CDEDLO C=CCCCCC[N@H+](C)Cn1nc2cnccn2c1=O ZINC000758331726 577098880 /nfs/dbraw/zinc/09/88/80/577098880.db2.gz GUNSQDINAHRURI-UHFFFAOYSA-N 1 2 275.356 1.527 20 30 CDEDLO CN(C)C(=S)N[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000758368821 577102365 /nfs/dbraw/zinc/10/23/65/577102365.db2.gz BBLPRJZMRCXUFL-UHFFFAOYSA-N 1 2 277.397 1.452 20 30 CDEDLO CC1N=NC(=S)N1[NH+]=Cc1ccc2c(c1)CCN2C ZINC000752723147 577120806 /nfs/dbraw/zinc/12/08/06/577120806.db2.gz UVDOMQQNVZHQTL-UHFFFAOYSA-N 1 2 273.365 1.750 20 30 CDEDLO C=C(Br)C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000172100409 784705954 /nfs/dbraw/zinc/70/59/54/784705954.db2.gz QOJZOXXJZVWJDF-SNVBAGLBSA-N 1 2 264.163 1.368 20 30 CDEDLO C=C(Br)C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000172100409 784705967 /nfs/dbraw/zinc/70/59/67/784705967.db2.gz QOJZOXXJZVWJDF-SNVBAGLBSA-N 1 2 264.163 1.368 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2oncc2C)C1 ZINC000957085085 612993183 /nfs/dbraw/zinc/99/31/83/612993183.db2.gz BRLLZKJXRYPHKR-UHFFFAOYSA-N 1 2 261.325 1.153 20 30 CDEDLO C#CCCN1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000823845475 608079141 /nfs/dbraw/zinc/07/91/41/608079141.db2.gz UMISJIAGPDVDIV-UHFFFAOYSA-N 1 2 296.378 1.008 20 30 CDEDLO C#CCON=C(C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000812233523 617255830 /nfs/dbraw/zinc/25/58/30/617255830.db2.gz UOLAFVRYSNHCOX-INIZCTEOSA-N 1 2 272.348 1.913 20 30 CDEDLO C#CCON=C(C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000812233523 617255832 /nfs/dbraw/zinc/25/58/32/617255832.db2.gz UOLAFVRYSNHCOX-INIZCTEOSA-N 1 2 272.348 1.913 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1nccn1C ZINC000960494146 617290290 /nfs/dbraw/zinc/29/02/90/617290290.db2.gz MVUFPTAPLJQDII-STQMWFEESA-N 1 2 289.383 1.003 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nccn1C ZINC000960494146 617290293 /nfs/dbraw/zinc/29/02/93/617290293.db2.gz MVUFPTAPLJQDII-STQMWFEESA-N 1 2 289.383 1.003 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cccn2CC=C)C1 ZINC000950512359 612992583 /nfs/dbraw/zinc/99/25/83/612992583.db2.gz DWZMHDQAPBYGGQ-UHFFFAOYSA-N 1 2 285.391 1.844 20 30 CDEDLO C#CCC[NH+]1CC([C@@H](C)NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC000970860361 612995281 /nfs/dbraw/zinc/99/52/81/612995281.db2.gz DMIKPCSLYPKSGD-LLVKDONJSA-N 1 2 297.362 1.031 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc3cnccc3o2)CC1 ZINC000949114579 613010824 /nfs/dbraw/zinc/01/08/24/613010824.db2.gz KOKGVQTXYDDZQC-UHFFFAOYSA-N 1 2 283.331 1.609 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@](C)(C=C)CC)C2)C1 ZINC000972532308 613211400 /nfs/dbraw/zinc/21/14/00/613211400.db2.gz PWEQZLMKTFJMHW-IRXDYDNUSA-N 1 2 290.407 1.525 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@](C)(C=C)CC)C2)C1 ZINC000972532308 613211402 /nfs/dbraw/zinc/21/14/02/613211402.db2.gz PWEQZLMKTFJMHW-IRXDYDNUSA-N 1 2 290.407 1.525 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccnc3ccnn32)C1 ZINC000950487691 613296885 /nfs/dbraw/zinc/29/68/85/613296885.db2.gz YQIGAEMIYUYWAS-UHFFFAOYSA-N 1 2 299.378 1.452 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnc3c(cnn3C)c2)CC1 ZINC000952418696 613321758 /nfs/dbraw/zinc/32/17/58/613321758.db2.gz AXHQHSDXKVDUFD-UHFFFAOYSA-N 1 2 299.378 1.302 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ocnc2C2CC2)CC1 ZINC000950487147 613322251 /nfs/dbraw/zinc/32/22/51/613322251.db2.gz BSRIGEBADDXIOP-UHFFFAOYSA-N 1 2 275.352 1.886 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2[nH]ncc2F)C(C)(C)C1 ZINC000975013916 613338858 /nfs/dbraw/zinc/33/88/58/613338858.db2.gz HKUZAKMGFJWZAG-LLVKDONJSA-N 1 2 280.347 1.565 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2[nH]ncc2F)C(C)(C)C1 ZINC000975013916 613338859 /nfs/dbraw/zinc/33/88/59/613338859.db2.gz HKUZAKMGFJWZAG-LLVKDONJSA-N 1 2 280.347 1.565 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2OCC)CC1 ZINC000980748257 613373679 /nfs/dbraw/zinc/37/36/79/613373679.db2.gz GOIIDMQMVBSCDT-OLZOCXBDSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2OCC)CC1 ZINC000980748257 613373680 /nfs/dbraw/zinc/37/36/80/613373680.db2.gz GOIIDMQMVBSCDT-OLZOCXBDSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)c2cc[nH]c2)CC1 ZINC000981211141 613373989 /nfs/dbraw/zinc/37/39/89/613373989.db2.gz DILBUGOUXUSOFE-UHFFFAOYSA-N 1 2 267.760 1.915 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)c2cc[nH]c2)CC1 ZINC000981211141 613373990 /nfs/dbraw/zinc/37/39/90/613373990.db2.gz DILBUGOUXUSOFE-UHFFFAOYSA-N 1 2 267.760 1.915 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2cnoc2)C1 ZINC000967946844 613377571 /nfs/dbraw/zinc/37/75/71/613377571.db2.gz UUUJVFGSTHSAIN-GWCFXTLKSA-N 1 2 297.786 1.796 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2cnoc2)C1 ZINC000967946844 613377572 /nfs/dbraw/zinc/37/75/72/613377572.db2.gz UUUJVFGSTHSAIN-GWCFXTLKSA-N 1 2 297.786 1.796 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ncccn2)C(C)(C)C1 ZINC000977369396 613380099 /nfs/dbraw/zinc/38/00/99/613380099.db2.gz HTNFLJVCAZUSDB-LLVKDONJSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ncccn2)C(C)(C)C1 ZINC000977369396 613380100 /nfs/dbraw/zinc/38/01/00/613380100.db2.gz HTNFLJVCAZUSDB-LLVKDONJSA-N 1 2 294.786 1.669 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC000969576953 613436324 /nfs/dbraw/zinc/43/63/24/613436324.db2.gz RZOLFCLQQYWHMJ-LLVKDONJSA-N 1 2 278.356 1.281 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccncc3)C2)C1 ZINC000972225043 613570690 /nfs/dbraw/zinc/57/06/90/613570690.db2.gz QWOWUIYPORGYKC-QGZVFWFLSA-N 1 2 299.374 1.022 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccncc3)C2)C1 ZINC000972225043 613570691 /nfs/dbraw/zinc/57/06/91/613570691.db2.gz QWOWUIYPORGYKC-QGZVFWFLSA-N 1 2 299.374 1.022 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccco3)C2)C1 ZINC000972228405 613570882 /nfs/dbraw/zinc/57/08/82/613570882.db2.gz NBDUPNQJKHRFEM-INIZCTEOSA-N 1 2 288.347 1.220 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccco3)C2)C1 ZINC000972228405 613570885 /nfs/dbraw/zinc/57/08/85/613570885.db2.gz NBDUPNQJKHRFEM-INIZCTEOSA-N 1 2 288.347 1.220 20 30 CDEDLO C=CC[NH+]1CC([C@@H](C)NC(=O)c2n[nH]c3ccccc32)C1 ZINC000970834398 613667620 /nfs/dbraw/zinc/66/76/20/613667620.db2.gz ZHVCGBULJADGGL-LLVKDONJSA-N 1 2 284.363 1.799 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)CC1 ZINC000949557300 613710479 /nfs/dbraw/zinc/71/04/79/613710479.db2.gz CDJGHBJBZNLNAH-CQSZACIVSA-N 1 2 299.374 1.443 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2OC)CC1 ZINC000948968684 613710936 /nfs/dbraw/zinc/71/09/36/613710936.db2.gz RTYFBFBZMPEBIR-OLZOCXBDSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)Cc2ccco2)CC1 ZINC000951695548 613712484 /nfs/dbraw/zinc/71/24/84/613712484.db2.gz BGKGMSPULPFFNA-CYBMUJFWSA-N 1 2 262.353 1.788 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cn(CC)nc2C(C)C)CC1 ZINC000950935650 613718324 /nfs/dbraw/zinc/71/83/24/613718324.db2.gz NFEIFMBCCBCQNB-UHFFFAOYSA-N 1 2 290.411 1.970 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2nccc3cccnc32)CC1 ZINC000948819204 613719070 /nfs/dbraw/zinc/71/90/70/613719070.db2.gz XMBDPNXTGCQNKF-UHFFFAOYSA-N 1 2 282.347 1.574 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)C(C)C)C2)C1 ZINC000972581342 613723726 /nfs/dbraw/zinc/72/37/26/613723726.db2.gz HIKIGBINWOQSGE-HOCLYGCPSA-N 1 2 280.412 1.768 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)C(C)C)C2)C1 ZINC000972581342 613723727 /nfs/dbraw/zinc/72/37/27/613723727.db2.gz HIKIGBINWOQSGE-HOCLYGCPSA-N 1 2 280.412 1.768 20 30 CDEDLO C=CC[N@H+](CN1C[C@@H](C(C)C)CC1=O)[C@H](C)COC ZINC000853535223 617415695 /nfs/dbraw/zinc/41/56/95/617415695.db2.gz RJODFSKSAYJBJC-KGLIPLIRSA-N 1 2 268.401 1.971 20 30 CDEDLO C=CC[N@@H+](CN1C[C@@H](C(C)C)CC1=O)[C@H](C)COC ZINC000853535223 617415698 /nfs/dbraw/zinc/41/56/98/617415698.db2.gz RJODFSKSAYJBJC-KGLIPLIRSA-N 1 2 268.401 1.971 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000892605625 617530851 /nfs/dbraw/zinc/53/08/51/617530851.db2.gz SKXHOJKMNXNJLT-CQSZACIVSA-N 1 2 293.411 1.295 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000892605625 617530855 /nfs/dbraw/zinc/53/08/55/617530855.db2.gz SKXHOJKMNXNJLT-CQSZACIVSA-N 1 2 293.411 1.295 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1ccnc(OC)c1F)[C@@H]1CCCO1 ZINC000893677397 617830693 /nfs/dbraw/zinc/83/06/93/617830693.db2.gz SYWXVEXFDSUTAJ-NEPJUHHUSA-N 1 2 264.300 1.500 20 30 CDEDLO N#Cc1ccc(C[NH2+][C@@H]2CCCN(O)C2=O)c(F)c1 ZINC000895163818 619388223 /nfs/dbraw/zinc/38/82/23/619388223.db2.gz ZFZVYFZKGFEBCJ-GFCCVEGCSA-N 1 2 263.272 1.167 20 30 CDEDLO N#Cc1cc(N2CCC(Nc3cccc[nH+]3)CC2)ncn1 ZINC000895348760 619592446 /nfs/dbraw/zinc/59/24/46/619592446.db2.gz CTILFRDNWVHSLU-UHFFFAOYSA-N 1 2 280.335 1.824 20 30 CDEDLO C#Cc1ccc(C[NH+]2CC(N3CCCC3=O)C2)cc1 ZINC000897784695 621120788 /nfs/dbraw/zinc/12/07/88/621120788.db2.gz YSHCIEJJRQGTJL-UHFFFAOYSA-N 1 2 254.333 1.475 20 30 CDEDLO C[C@@H]1Cc2cc(NC[C@@H](O)C[N@H+](C)CCC#N)ccc2O1 ZINC000899896738 622512688 /nfs/dbraw/zinc/51/26/88/622512688.db2.gz PTXBQIPOFOJTRO-IUODEOHRSA-N 1 2 289.379 1.628 20 30 CDEDLO C[C@@H]1Cc2cc(NC[C@@H](O)C[N@@H+](C)CCC#N)ccc2O1 ZINC000899896738 622512695 /nfs/dbraw/zinc/51/26/95/622512695.db2.gz PTXBQIPOFOJTRO-IUODEOHRSA-N 1 2 289.379 1.628 20 30 CDEDLO CCn1c[nH+]cc1C=C(C)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000901499327 624302551 /nfs/dbraw/zinc/30/25/51/624302551.db2.gz RIQZJPXASYGIIU-UITAMQMPSA-N 1 2 269.308 1.727 20 30 CDEDLO C#CCSCc1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904265768 626234557 /nfs/dbraw/zinc/23/45/57/626234557.db2.gz QSYHCCFLYOOKEG-UHFFFAOYSA-N 1 2 260.322 1.889 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000905722536 626946642 /nfs/dbraw/zinc/94/66/42/626946642.db2.gz JEHRMDIYGVMSNI-QMTHXVAHSA-N 1 2 274.320 1.554 20 30 CDEDLO N#C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000905722536 626946644 /nfs/dbraw/zinc/94/66/44/626946644.db2.gz JEHRMDIYGVMSNI-QMTHXVAHSA-N 1 2 274.320 1.554 20 30 CDEDLO C#CCCCc1nnc(N2CC[NH+](CC#C)CC2)n1CC ZINC000908870805 628395438 /nfs/dbraw/zinc/39/54/38/628395438.db2.gz ZEGNHYFEKNAYGH-UHFFFAOYSA-N 1 2 285.395 1.009 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)CNc1cccc[nH+]1 ZINC000909047165 628489702 /nfs/dbraw/zinc/48/97/02/628489702.db2.gz FUUJTUMHNDBLBM-NEPJUHHUSA-N 1 2 261.325 1.343 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCOc2ccccc2C1 ZINC000917087078 632146457 /nfs/dbraw/zinc/14/64/57/632146457.db2.gz PRRIFMOJKNVZFX-GFCCVEGCSA-N 1 2 258.321 1.019 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCOc2ccccc2C1 ZINC000917087078 632146465 /nfs/dbraw/zinc/14/64/65/632146465.db2.gz PRRIFMOJKNVZFX-GFCCVEGCSA-N 1 2 258.321 1.019 20 30 CDEDLO C=CCn1cccc1C(=O)NCC[NH2+]Cc1csnn1 ZINC001129514443 1162480645 /nfs/dbraw/zinc/48/06/45/1162480645.db2.gz UIAXTNQRHDFRGZ-UHFFFAOYSA-N 1 2 291.380 1.045 20 30 CDEDLO CON=CC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000809700792 1163066264 /nfs/dbraw/zinc/06/62/64/1163066264.db2.gz OEQACGXOYBHPTB-CYBMUJFWSA-N 1 2 286.335 1.452 20 30 CDEDLO CC(=O)N[C@H]1C[C@H](Nc2cc(C3(C#N)CC3)cc[nH+]2)C1 ZINC001170585624 1163072638 /nfs/dbraw/zinc/07/26/38/1163072638.db2.gz TXJSBBINFAYYGZ-JOCQHMNTSA-N 1 2 270.336 1.716 20 30 CDEDLO CC(C)[C@@](C)(C#N)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC001169857501 1162018304 /nfs/dbraw/zinc/01/83/04/1162018304.db2.gz LMMAYXBIJGGAAN-WXRRBKDZSA-N 1 2 272.414 1.870 20 30 CDEDLO C=CCN1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001112994630 1162062533 /nfs/dbraw/zinc/06/25/33/1162062533.db2.gz CZFWGPDSHGVQGK-OAHLLOKOSA-N 1 2 290.411 1.801 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(F)c[nH]2)CC1 ZINC001113117773 1162103602 /nfs/dbraw/zinc/10/36/02/1162103602.db2.gz MKDZKHGPWFAFEP-UHFFFAOYSA-N 1 2 281.331 1.114 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)OC[C@H]2CCCCO2)CC1 ZINC001113719063 1162265911 /nfs/dbraw/zinc/26/59/11/1162265911.db2.gz VDJGUEHITFYIDP-LSDHHAIUSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C1CCC(C(=O)NCC[NH2+]Cc2cnon2)CC1 ZINC001133365390 1163657589 /nfs/dbraw/zinc/65/75/89/1163657589.db2.gz OQESRYCUSWMEQR-UHFFFAOYSA-N 1 2 264.329 1.022 20 30 CDEDLO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1[nH]ncc1F ZINC001135408113 1164138452 /nfs/dbraw/zinc/13/84/52/1164138452.db2.gz SFTRXABKJVSWQY-NXEZZACHSA-N 1 2 266.320 1.059 20 30 CDEDLO N#Cc1cnc(C(=O)NCc2c[nH+]cn2C2CCC2)cn1 ZINC001199668872 1164418983 /nfs/dbraw/zinc/41/89/83/1164418983.db2.gz CSHXINHBKGCNDU-UHFFFAOYSA-N 1 2 282.307 1.200 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nccn3C)C[C@H]21 ZINC001114349536 1164492381 /nfs/dbraw/zinc/49/23/81/1164492381.db2.gz YMRGBHNBFKXRCB-VIKVFOODSA-N 1 2 288.395 1.323 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nccn3C)C[C@H]21 ZINC001114349536 1164492383 /nfs/dbraw/zinc/49/23/83/1164492383.db2.gz YMRGBHNBFKXRCB-VIKVFOODSA-N 1 2 288.395 1.323 20 30 CDEDLO CN(C)c1ccc(F)cc1C=NN1CC[NH+](C)CC1 ZINC000872325369 1165419239 /nfs/dbraw/zinc/41/92/39/1165419239.db2.gz OJPIIIOUNOQIQG-UHFFFAOYSA-N 1 2 264.348 1.473 20 30 CDEDLO C#CC[C@H]1CC[N@@H+](Cc2nnc(OCC)s2)C1 ZINC000886356141 1166533452 /nfs/dbraw/zinc/53/34/52/1166533452.db2.gz UOYILVILELECCL-JTQLQIEISA-N 1 2 251.355 1.782 20 30 CDEDLO C#CC[C@H]1CC[N@H+](Cc2nnc(OCC)s2)C1 ZINC000886356141 1166533460 /nfs/dbraw/zinc/53/34/60/1166533460.db2.gz UOYILVILELECCL-JTQLQIEISA-N 1 2 251.355 1.782 20 30 CDEDLO C=CCCC(=O)NCCC[NH2+]Cc1noc(C2CCC2)n1 ZINC001155586903 1167243821 /nfs/dbraw/zinc/24/38/21/1167243821.db2.gz PANKVFYWMWJTTQ-UHFFFAOYSA-N 1 2 292.383 1.899 20 30 CDEDLO C#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC001574757452 1171006458 /nfs/dbraw/zinc/00/64/58/1171006458.db2.gz PWXKKPDWAQOWBA-INIZCTEOSA-N 1 2 285.391 1.810 20 30 CDEDLO C=CCCC(=O)N1CC[C@H](C[N@@H+](C)Cc2cnn[nH]2)C1 ZINC001575085450 1171108009 /nfs/dbraw/zinc/10/80/09/1171108009.db2.gz JVZJQUNRKMHORD-GFCCVEGCSA-N 1 2 277.372 1.051 20 30 CDEDLO C=CCCC(=O)N1CC[C@H](C[N@H+](C)Cc2cnn[nH]2)C1 ZINC001575085450 1171108018 /nfs/dbraw/zinc/10/80/18/1171108018.db2.gz JVZJQUNRKMHORD-GFCCVEGCSA-N 1 2 277.372 1.051 20 30 CDEDLO C=CCCC(=O)N1CC[C@H](C[N@@H+](C)Cc2c[nH]nn2)C1 ZINC001575085450 1171108029 /nfs/dbraw/zinc/10/80/29/1171108029.db2.gz JVZJQUNRKMHORD-GFCCVEGCSA-N 1 2 277.372 1.051 20 30 CDEDLO C=CCCC(=O)N1CC[C@H](C[N@H+](C)Cc2c[nH]nn2)C1 ZINC001575085450 1171108040 /nfs/dbraw/zinc/10/80/40/1171108040.db2.gz JVZJQUNRKMHORD-GFCCVEGCSA-N 1 2 277.372 1.051 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3cn[nH]n3)cc2)C1 ZINC001575104953 1171113898 /nfs/dbraw/zinc/11/38/98/1171113898.db2.gz YBVUNZDPZIHJCN-CQSZACIVSA-N 1 2 297.362 1.462 20 30 CDEDLO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3cn[nH]n3)cc2)C1 ZINC001575104953 1171113907 /nfs/dbraw/zinc/11/39/07/1171113907.db2.gz YBVUNZDPZIHJCN-CQSZACIVSA-N 1 2 297.362 1.462 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1ccc(-c2nn[nH]n2)c(OC)c1 ZINC001588350471 1173049305 /nfs/dbraw/zinc/04/93/05/1173049305.db2.gz YSLZRGKHNLOUFR-UHFFFAOYSA-N 1 2 295.346 1.334 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(-c2nn[nH]n2)c(OC)c1 ZINC001588350471 1173049309 /nfs/dbraw/zinc/04/93/09/1173049309.db2.gz YSLZRGKHNLOUFR-UHFFFAOYSA-N 1 2 295.346 1.334 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001588931092 1173115582 /nfs/dbraw/zinc/11/55/82/1173115582.db2.gz RCZFBDQDWMHEIP-SNVBAGLBSA-N 1 2 256.313 1.458 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001588931092 1173115585 /nfs/dbraw/zinc/11/55/85/1173115585.db2.gz RCZFBDQDWMHEIP-SNVBAGLBSA-N 1 2 256.313 1.458 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@@H](C)COC ZINC001713471933 1178589026 /nfs/dbraw/zinc/58/90/26/1178589026.db2.gz GCXCYLVCASUCPC-SNVBAGLBSA-N 1 2 262.781 1.460 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@@H](C)COC ZINC001713471933 1178589028 /nfs/dbraw/zinc/58/90/28/1178589028.db2.gz GCXCYLVCASUCPC-SNVBAGLBSA-N 1 2 262.781 1.460 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccnnc1 ZINC001715955407 1179941035 /nfs/dbraw/zinc/94/10/35/1179941035.db2.gz FDOSNIQVMFOSAN-UHFFFAOYSA-N 1 2 268.748 1.233 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccnnc1 ZINC001715955407 1179941040 /nfs/dbraw/zinc/94/10/40/1179941040.db2.gz FDOSNIQVMFOSAN-UHFFFAOYSA-N 1 2 268.748 1.233 20 30 CDEDLO C=CCOCC(=O)NC[C@H]1CCC[N@H+]1Cc1cc(C)on1 ZINC001753097078 1185058092 /nfs/dbraw/zinc/05/80/92/1185058092.db2.gz KSMQYCMUGXHQKQ-CQSZACIVSA-N 1 2 293.367 1.266 20 30 CDEDLO C=CCOCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(C)on1 ZINC001753097078 1185058098 /nfs/dbraw/zinc/05/80/98/1185058098.db2.gz KSMQYCMUGXHQKQ-CQSZACIVSA-N 1 2 293.367 1.266 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](CCNC(=O)C(F)C(F)(F)F)C1 ZINC001753332961 1185159519 /nfs/dbraw/zinc/15/95/19/1185159519.db2.gz ZARTWFWSXQGQDZ-MNOVXSKESA-N 1 2 294.292 1.738 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](CCNC(=O)C(F)C(F)(F)F)C1 ZINC001753332961 1185159526 /nfs/dbraw/zinc/15/95/26/1185159526.db2.gz ZARTWFWSXQGQDZ-MNOVXSKESA-N 1 2 294.292 1.738 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001753332961 1185159528 /nfs/dbraw/zinc/15/95/28/1185159528.db2.gz ZARTWFWSXQGQDZ-MNOVXSKESA-N 1 2 294.292 1.738 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001753332961 1185159533 /nfs/dbraw/zinc/15/95/33/1185159533.db2.gz ZARTWFWSXQGQDZ-MNOVXSKESA-N 1 2 294.292 1.738 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H](CC)OC2CCCC2)C1 ZINC001753389158 1185180763 /nfs/dbraw/zinc/18/07/63/1185180763.db2.gz JOZGGJDEVLGSKJ-HNNXBMFYSA-N 1 2 278.396 1.548 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@H](CC)[NH2+]Cc1nnc(CC)o1 ZINC001753482782 1185230017 /nfs/dbraw/zinc/23/00/17/1185230017.db2.gz GHQCJKSNVHLDEZ-NSHDSACASA-N 1 2 294.399 1.829 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N(C)CC[N@H+](C)Cc1ccn(C)n1 ZINC001753860509 1185365595 /nfs/dbraw/zinc/36/55/95/1185365595.db2.gz AQLRSXXAWAMHET-AWEZNQCLSA-N 1 2 292.427 1.913 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N(C)CC[N@@H+](C)Cc1ccn(C)n1 ZINC001753860509 1185365598 /nfs/dbraw/zinc/36/55/98/1185365598.db2.gz AQLRSXXAWAMHET-AWEZNQCLSA-N 1 2 292.427 1.913 20 30 CDEDLO C=CCCC(=O)NC[C@H]1CC[N@H+]1CC(=O)N(CC)C1CC1 ZINC001754474556 1185632480 /nfs/dbraw/zinc/63/24/80/1185632480.db2.gz AVOBQAHLPRNFJJ-CQSZACIVSA-N 1 2 293.411 1.154 20 30 CDEDLO C=CCCC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(CC)C1CC1 ZINC001754474556 1185632481 /nfs/dbraw/zinc/63/24/81/1185632481.db2.gz AVOBQAHLPRNFJJ-CQSZACIVSA-N 1 2 293.411 1.154 20 30 CDEDLO C=C(C)CCC(=O)NC[C@@H]1CC[N@H+]1Cc1cnn(C)c1 ZINC001754485211 1185639055 /nfs/dbraw/zinc/63/90/55/1185639055.db2.gz QQJDSWJEPVKLQG-AWEZNQCLSA-N 1 2 276.384 1.467 20 30 CDEDLO C=C(C)CCC(=O)NC[C@@H]1CC[N@@H+]1Cc1cnn(C)c1 ZINC001754485211 1185639060 /nfs/dbraw/zinc/63/90/60/1185639060.db2.gz QQJDSWJEPVKLQG-AWEZNQCLSA-N 1 2 276.384 1.467 20 30 CDEDLO CC#CCCCC(=O)NC[C@H]1CC[N@@H+]1Cc1conc1C ZINC001754491006 1185640442 /nfs/dbraw/zinc/64/04/42/1185640442.db2.gz AJBKYFSUEFHWPT-OAHLLOKOSA-N 1 2 289.379 1.867 20 30 CDEDLO CC#CCCCC(=O)NC[C@H]1CC[N@H+]1Cc1conc1C ZINC001754491006 1185640446 /nfs/dbraw/zinc/64/04/46/1185640446.db2.gz AJBKYFSUEFHWPT-OAHLLOKOSA-N 1 2 289.379 1.867 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](CC)c1c(C)noc1C ZINC001754497122 1185643048 /nfs/dbraw/zinc/64/30/48/1185643048.db2.gz JJORPFPWZZVHEE-KBPBESRZSA-N 1 2 289.379 1.609 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](CC)c1c(C)noc1C ZINC001754497122 1185643053 /nfs/dbraw/zinc/64/30/53/1185643053.db2.gz JJORPFPWZZVHEE-KBPBESRZSA-N 1 2 289.379 1.609 20 30 CDEDLO CC#CCCCC(=O)N(C)C1C[NH+](CCOCC2CC2)C1 ZINC001754581502 1185673259 /nfs/dbraw/zinc/67/32/59/1185673259.db2.gz DUFHCZFMWSIJHG-UHFFFAOYSA-N 1 2 292.423 1.749 20 30 CDEDLO C#CCCCCC(=O)NCC1(O)C[NH+](CC[C@H](C)F)C1 ZINC001754773800 1185729266 /nfs/dbraw/zinc/72/92/66/1185729266.db2.gz CRWYYJLRMPZQPI-ZDUSSCGKSA-N 1 2 284.375 1.091 20 30 CDEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1COCC[N@@H+]1CCCF ZINC001754970522 1185774754 /nfs/dbraw/zinc/77/47/54/1185774754.db2.gz UYPMRQDNGIVCPE-ZIAGYGMSSA-N 1 2 286.391 1.765 20 30 CDEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1COCC[N@H+]1CCCF ZINC001754970522 1185774758 /nfs/dbraw/zinc/77/47/58/1185774758.db2.gz UYPMRQDNGIVCPE-ZIAGYGMSSA-N 1 2 286.391 1.765 20 30 CDEDLO CCc1noc(C[NH2+][C@H](C)[C@H](C)NC(=O)C#CC2CC2)n1 ZINC001755258185 1185879792 /nfs/dbraw/zinc/87/97/92/1185879792.db2.gz ZTHKLZQXGQIIBZ-MNOVXSKESA-N 1 2 290.367 1.028 20 30 CDEDLO C#CCCS(=O)(=O)Oc1cccc(-n2cc[nH+]c2)c1 ZINC000808295298 790280184 /nfs/dbraw/zinc/28/01/84/790280184.db2.gz SZKHRQUKBNJOBZ-UHFFFAOYSA-N 1 2 276.317 1.604 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001018055727 790311983 /nfs/dbraw/zinc/31/19/83/790311983.db2.gz VZDFULWLIXILRR-FZKCQIBNSA-N 1 2 288.391 1.276 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001018055727 790311991 /nfs/dbraw/zinc/31/19/91/790311991.db2.gz VZDFULWLIXILRR-FZKCQIBNSA-N 1 2 288.391 1.276 20 30 CDEDLO CCC[C@H](O)C[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001252785650 1165303302 /nfs/dbraw/zinc/30/33/02/1165303302.db2.gz DGHGCMRIQSRDGK-ZDUSSCGKSA-N 1 2 260.337 1.782 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2sc(C)cc2OC)CC1 ZINC000072786810 790358331 /nfs/dbraw/zinc/35/83/31/790358331.db2.gz AKBSKOSZOGBDDO-UHFFFAOYSA-N 1 2 292.404 1.846 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2COc3ccccc3O2)C1 ZINC001030375675 790401457 /nfs/dbraw/zinc/40/14/57/790401457.db2.gz HRRKZMGGOLENHO-ZDUSSCGKSA-N 1 2 288.347 1.203 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)s2)C1 ZINC000923575217 790402393 /nfs/dbraw/zinc/40/23/93/790402393.db2.gz XKOJEQILVRHDNS-LLVKDONJSA-N 1 2 273.361 1.447 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)s2)C1 ZINC000923575217 790402405 /nfs/dbraw/zinc/40/24/05/790402405.db2.gz XKOJEQILVRHDNS-LLVKDONJSA-N 1 2 273.361 1.447 20 30 CDEDLO CC(C)(C)OCCO[NH+]=C(N)Cc1cccnc1 ZINC000179924880 790466817 /nfs/dbraw/zinc/46/68/17/790466817.db2.gz KJQWMBWPYNOPFG-UHFFFAOYSA-N 1 2 251.330 1.728 20 30 CDEDLO N#CC1CC[NH+](CN2C[C@@H]3CCCCN3C2=O)CC1 ZINC000872573945 790532264 /nfs/dbraw/zinc/53/22/64/790532264.db2.gz SXXOOFXJFAQIQD-ZDUSSCGKSA-N 1 2 262.357 1.470 20 30 CDEDLO CN(C1COC1)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001137120309 1166044822 /nfs/dbraw/zinc/04/48/22/1166044822.db2.gz CMLBNWGCPADZPI-UHFFFAOYSA-N 1 2 287.363 1.104 20 30 CDEDLO C=C[C@H](C)ONC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000845630611 790625720 /nfs/dbraw/zinc/62/57/20/790625720.db2.gz SMUJHWLNMUBNAM-AVGNSLFASA-N 1 2 278.356 1.982 20 30 CDEDLO C=C(C)C[N@@H+](C)CC(=O)NC(=O)c1ccc(OC)cc1 ZINC000181275656 790802192 /nfs/dbraw/zinc/80/21/92/790802192.db2.gz OWICWRFZRQECHR-UHFFFAOYSA-N 1 2 276.336 1.460 20 30 CDEDLO C=C(C)C[N@H+](C)CC(=O)NC(=O)c1ccc(OC)cc1 ZINC000181275656 790802193 /nfs/dbraw/zinc/80/21/93/790802193.db2.gz OWICWRFZRQECHR-UHFFFAOYSA-N 1 2 276.336 1.460 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CC)CSC ZINC000775255594 790880519 /nfs/dbraw/zinc/88/05/19/790880519.db2.gz NQLXKPXVPCDAJB-NEPJUHHUSA-N 1 2 254.399 1.342 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CC)CSC ZINC000775255594 790880520 /nfs/dbraw/zinc/88/05/20/790880520.db2.gz NQLXKPXVPCDAJB-NEPJUHHUSA-N 1 2 254.399 1.342 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CC(C)(C)CO1 ZINC001032752536 790945357 /nfs/dbraw/zinc/94/53/57/790945357.db2.gz PMHPYHGMNNHHJW-KKUMJFAQSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CC(C)(C)CO1 ZINC001032752536 790945364 /nfs/dbraw/zinc/94/53/64/790945364.db2.gz PMHPYHGMNNHHJW-KKUMJFAQSA-N 1 2 290.407 1.500 20 30 CDEDLO C[C@H](C#N)OCCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845285765 790949703 /nfs/dbraw/zinc/94/97/03/790949703.db2.gz SONAOPRKFOYKOQ-GHMZBOCLSA-N 1 2 251.286 1.306 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)=C1CCCC1 ZINC001032348923 790966145 /nfs/dbraw/zinc/96/61/45/790966145.db2.gz TVXOVFCQDNRZSK-GJZGRUSLSA-N 1 2 258.365 1.795 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)=C1CCCC1 ZINC001032348923 790966158 /nfs/dbraw/zinc/96/61/58/790966158.db2.gz TVXOVFCQDNRZSK-GJZGRUSLSA-N 1 2 258.365 1.795 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccc(-n3cccn3)cc2)C1 ZINC001042927237 790992388 /nfs/dbraw/zinc/99/23/88/790992388.db2.gz KUFXLROZLMKKMA-UHFFFAOYSA-N 1 2 296.374 1.815 20 30 CDEDLO C=CC[N@H+](Cc1cn(C[C@H]2CCCO2)nn1)C1CC1 ZINC000877329645 791004649 /nfs/dbraw/zinc/00/46/49/791004649.db2.gz TYCFAMHQUJTFSZ-CQSZACIVSA-N 1 2 262.357 1.608 20 30 CDEDLO C=CC[N@@H+](Cc1cn(C[C@H]2CCCO2)nn1)C1CC1 ZINC000877329645 791004664 /nfs/dbraw/zinc/00/46/64/791004664.db2.gz TYCFAMHQUJTFSZ-CQSZACIVSA-N 1 2 262.357 1.608 20 30 CDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1COCC[N@H+]1CC ZINC001051153081 791054183 /nfs/dbraw/zinc/05/41/83/791054183.db2.gz QBCMIDUDQFFEQG-KKUMJFAQSA-N 1 2 296.411 1.195 20 30 CDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1COCC[N@@H+]1CC ZINC001051153081 791054192 /nfs/dbraw/zinc/05/41/92/791054192.db2.gz QBCMIDUDQFFEQG-KKUMJFAQSA-N 1 2 296.411 1.195 20 30 CDEDLO CCc1nnc(CO[NH+]=C(N)Cc2cccnc2)o1 ZINC000179921717 791062579 /nfs/dbraw/zinc/06/25/79/791062579.db2.gz YKSJEBQVEYHQRH-UHFFFAOYSA-N 1 2 261.285 1.059 20 30 CDEDLO CCOC(CO[NH+]=C(N)Cc1cccnc1)OCC ZINC000192189206 791321210 /nfs/dbraw/zinc/32/12/10/791321210.db2.gz GFWPUEUJODGHNT-UHFFFAOYSA-N 1 2 267.329 1.312 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(F)ccc2OC)C1 ZINC001043499394 791119720 /nfs/dbraw/zinc/11/97/20/791119720.db2.gz QOMPYIKTFLFMES-UHFFFAOYSA-N 1 2 290.338 1.614 20 30 CDEDLO C[C@@H]1[C@H](NCC#N)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC000986541751 789853307 /nfs/dbraw/zinc/85/33/07/789853307.db2.gz BYUHCTPBAQKPSS-VXGBXAGGSA-N 1 2 283.335 1.050 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C2CC2)nc1 ZINC001032667503 789856102 /nfs/dbraw/zinc/85/61/02/789856102.db2.gz CEUDBHDVSASRFE-GJZGRUSLSA-N 1 2 296.374 1.276 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C2CC2)nc1 ZINC001032667503 789856103 /nfs/dbraw/zinc/85/61/03/789856103.db2.gz CEUDBHDVSASRFE-GJZGRUSLSA-N 1 2 296.374 1.276 20 30 CDEDLO COCC#CC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC000776606883 789867509 /nfs/dbraw/zinc/86/75/09/789867509.db2.gz PDNRTVIYWLIQLE-ZIAGYGMSSA-N 1 2 296.411 1.966 20 30 CDEDLO COCC#CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC000776606883 789867510 /nfs/dbraw/zinc/86/75/10/789867510.db2.gz PDNRTVIYWLIQLE-ZIAGYGMSSA-N 1 2 296.411 1.966 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001015242339 789866305 /nfs/dbraw/zinc/86/63/05/789866305.db2.gz VDIPCDUOZUZWHO-NFAWXSAZSA-N 1 2 298.814 1.889 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001015242339 789866312 /nfs/dbraw/zinc/86/63/12/789866312.db2.gz VDIPCDUOZUZWHO-NFAWXSAZSA-N 1 2 298.814 1.889 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(C)ncn2)C1 ZINC001046234724 789870943 /nfs/dbraw/zinc/87/09/43/789870943.db2.gz CDUKHEHOMYRJGV-CQSZACIVSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C)ncn2)C1 ZINC001046234724 789870944 /nfs/dbraw/zinc/87/09/44/789870944.db2.gz CDUKHEHOMYRJGV-CQSZACIVSA-N 1 2 294.786 1.732 20 30 CDEDLO COCc1noc([C@@H](C)O[NH+]=C(N)Cc2cccnc2)n1 ZINC000182943851 789871260 /nfs/dbraw/zinc/87/12/60/789871260.db2.gz CQYOETDWLNBGOO-SECBINFHSA-N 1 2 291.311 1.204 20 30 CDEDLO C#C[C@H](CCC)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000820667396 789873142 /nfs/dbraw/zinc/87/31/42/789873142.db2.gz VQMALLUSKZMGJX-MELADBBJSA-N 1 2 281.400 1.197 20 30 CDEDLO C#C[C@H](CCC)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000820667396 789873145 /nfs/dbraw/zinc/87/31/45/789873145.db2.gz VQMALLUSKZMGJX-MELADBBJSA-N 1 2 281.400 1.197 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046252587 789883171 /nfs/dbraw/zinc/88/31/71/789883171.db2.gz DGVPFSVCUQHEIA-CQSZACIVSA-N 1 2 292.770 1.833 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046252587 789883172 /nfs/dbraw/zinc/88/31/72/789883172.db2.gz DGVPFSVCUQHEIA-CQSZACIVSA-N 1 2 292.770 1.833 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1nc(Cl)sc1C ZINC001038504704 789892108 /nfs/dbraw/zinc/89/21/08/789892108.db2.gz QDBFYRJLSHEOKN-SECBINFHSA-N 1 2 283.784 1.542 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc(Cl)sc1C ZINC001038504704 789892109 /nfs/dbraw/zinc/89/21/09/789892109.db2.gz QDBFYRJLSHEOKN-SECBINFHSA-N 1 2 283.784 1.542 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC13CC3)CCO2 ZINC001053446582 789989134 /nfs/dbraw/zinc/98/91/34/789989134.db2.gz ZPBBJYVPADBCJN-ZDUSSCGKSA-N 1 2 276.380 1.276 20 30 CDEDLO N#CCN1CCCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510351 789994538 /nfs/dbraw/zinc/99/45/38/789994538.db2.gz KBZFKGBTGIHJTK-ZDUSSCGKSA-N 1 2 297.362 1.671 20 30 CDEDLO Cn1c[nH+]cc1CCOC(=O)c1cccc(C#N)n1 ZINC000810698366 789998984 /nfs/dbraw/zinc/99/89/84/789998984.db2.gz PTJJQXNPOSMUSU-UHFFFAOYSA-N 1 2 256.265 1.086 20 30 CDEDLO C#C[C@H]([NH2+]Cc1cc(F)ncc1F)[C@H]1CCCO1 ZINC000824196852 790030223 /nfs/dbraw/zinc/03/02/23/790030223.db2.gz YHNCGDSOHIFBRN-NWDGAFQWSA-N 1 2 252.264 1.630 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1cccc(Cl)c1 ZINC000884046721 790034013 /nfs/dbraw/zinc/03/40/13/790034013.db2.gz OZFBAGLUAYNUEE-LBPRGKRZSA-N 1 2 296.754 1.403 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(=C)Cl)C1 ZINC001008557667 790056198 /nfs/dbraw/zinc/05/61/98/790056198.db2.gz GCTVQWXWCTWVEF-MJBXVCDLSA-N 1 2 298.814 1.911 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(=C)Cl)C1 ZINC001008557667 790056206 /nfs/dbraw/zinc/05/62/06/790056206.db2.gz GCTVQWXWCTWVEF-MJBXVCDLSA-N 1 2 298.814 1.911 20 30 CDEDLO C#CC[C@@H](CCOC)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000863780108 790095780 /nfs/dbraw/zinc/09/57/80/790095780.db2.gz XPOHVXZOFFXHAS-NEPJUHHUSA-N 1 2 263.341 1.133 20 30 CDEDLO C#CC[C@@H](CCOC)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000863780108 790095786 /nfs/dbraw/zinc/09/57/86/790095786.db2.gz XPOHVXZOFFXHAS-NEPJUHHUSA-N 1 2 263.341 1.133 20 30 CDEDLO C#CC1(F)CN(C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000883134554 790111563 /nfs/dbraw/zinc/11/15/63/790111563.db2.gz BHZUKVQJMMIRSX-UHFFFAOYSA-N 1 2 276.315 1.250 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1CCCCCCC1 ZINC000884097433 790116354 /nfs/dbraw/zinc/11/63/54/790116354.db2.gz FCQINUZDYUYAHC-AWEZNQCLSA-N 1 2 296.411 1.910 20 30 CDEDLO C#C[C@H](CCC)NC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875725606 790192980 /nfs/dbraw/zinc/19/29/80/790192980.db2.gz WTRIQYZXFBUIOR-ZIAGYGMSSA-N 1 2 281.400 1.198 20 30 CDEDLO C#C[C@H](CCC)NC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875725606 790192994 /nfs/dbraw/zinc/19/29/94/790192994.db2.gz WTRIQYZXFBUIOR-ZIAGYGMSSA-N 1 2 281.400 1.198 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCCC[C@H]1C ZINC000884137778 790236319 /nfs/dbraw/zinc/23/63/19/790236319.db2.gz VMCUTDWFSZMSEQ-NEPJUHHUSA-N 1 2 268.357 1.224 20 30 CDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC001004354354 790251986 /nfs/dbraw/zinc/25/19/86/790251986.db2.gz BTYRBZNMHPJAER-CABCVRRESA-N 1 2 291.395 1.249 20 30 CDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC001004354354 790251999 /nfs/dbraw/zinc/25/19/99/790251999.db2.gz BTYRBZNMHPJAER-CABCVRRESA-N 1 2 291.395 1.249 20 30 CDEDLO C#CC[C@@H](CCOC)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000863391900 791216116 /nfs/dbraw/zinc/21/61/16/791216116.db2.gz YMIUROAPZWCOPZ-RYUDHWBXSA-N 1 2 255.358 1.735 20 30 CDEDLO CC(C)C#CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000834713435 791217553 /nfs/dbraw/zinc/21/75/53/791217553.db2.gz PQBVAWCSSZGZAX-CQSZACIVSA-N 1 2 258.321 1.721 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001035502384 791269934 /nfs/dbraw/zinc/26/99/34/791269934.db2.gz OGEJCUUAGQLTSM-GOEBONIOSA-N 1 2 286.375 1.329 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001035502384 791269945 /nfs/dbraw/zinc/26/99/45/791269945.db2.gz OGEJCUUAGQLTSM-GOEBONIOSA-N 1 2 286.375 1.329 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc2c(c1)CCN2 ZINC000884019103 791287445 /nfs/dbraw/zinc/28/74/45/791287445.db2.gz LODRRJSCLUPIBO-LBPRGKRZSA-N 1 2 289.335 1.040 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C3CC=CC3)C[C@H]21 ZINC001074197503 791290360 /nfs/dbraw/zinc/29/03/60/791290360.db2.gz WRBZFUNFVLWQBW-CVEARBPZSA-N 1 2 290.407 1.830 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3CC=CC3)C[C@H]21 ZINC001074197503 791290370 /nfs/dbraw/zinc/29/03/70/791290370.db2.gz WRBZFUNFVLWQBW-CVEARBPZSA-N 1 2 290.407 1.830 20 30 CDEDLO CCc1[nH]c(C=NNc2[nH+]ccn2C)cc1C(=O)OC ZINC000884458484 791338633 /nfs/dbraw/zinc/33/86/33/791338633.db2.gz GGMJAXSFDZLROK-UHFFFAOYSA-N 1 2 275.312 1.543 20 30 CDEDLO CC(C)(C)n1nnc(C/[NH+]=C/c2ccccc2O)n1 ZINC000846756000 791344116 /nfs/dbraw/zinc/34/41/16/791344116.db2.gz GLQCYDSKTDDMLB-RIYZIHGNSA-N 1 2 259.313 1.753 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H](OC)C1 ZINC001017674858 791408631 /nfs/dbraw/zinc/40/86/31/791408631.db2.gz CSXSDNRGOQVQKO-APIJFGDWSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H](OC)C1 ZINC001017674858 791408645 /nfs/dbraw/zinc/40/86/45/791408645.db2.gz CSXSDNRGOQVQKO-APIJFGDWSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccco1 ZINC001032622802 791462586 /nfs/dbraw/zinc/46/25/86/791462586.db2.gz YBGVMYUZOJTVLB-AVGNSLFASA-N 1 2 258.321 1.301 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccco1 ZINC001032622802 791462609 /nfs/dbraw/zinc/46/26/09/791462609.db2.gz YBGVMYUZOJTVLB-AVGNSLFASA-N 1 2 258.321 1.301 20 30 CDEDLO C=C[C@@H](C)ONC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000845636348 791469554 /nfs/dbraw/zinc/46/95/54/791469554.db2.gz NPLYLMLZSTYDPP-MNOVXSKESA-N 1 2 264.329 1.805 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccnnc2)C1 ZINC001034411978 791506685 /nfs/dbraw/zinc/50/66/85/791506685.db2.gz ZDEQQQDTQARLSX-ZDUSSCGKSA-N 1 2 294.786 1.813 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccnnc2)C1 ZINC001034411978 791506698 /nfs/dbraw/zinc/50/66/98/791506698.db2.gz ZDEQQQDTQARLSX-ZDUSSCGKSA-N 1 2 294.786 1.813 20 30 CDEDLO C#CC[C@H]1NC(=O)N(Cc2c[nH+]c(C)cc2C)C1=O ZINC000842255999 791523781 /nfs/dbraw/zinc/52/37/81/791523781.db2.gz JCPHFTOXGGDZJB-GFCCVEGCSA-N 1 2 257.293 1.142 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2OCC[C@H]2C)C1 ZINC001033435561 791528474 /nfs/dbraw/zinc/52/84/74/791528474.db2.gz QZIYZCGVVZRYAP-WXHSDQCUSA-N 1 2 286.803 1.697 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2OCC[C@H]2C)C1 ZINC001033435561 791528481 /nfs/dbraw/zinc/52/84/81/791528481.db2.gz QZIYZCGVVZRYAP-WXHSDQCUSA-N 1 2 286.803 1.697 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2csc(C3CC3)n2)CC1 ZINC000989783832 791530287 /nfs/dbraw/zinc/53/02/87/791530287.db2.gz HCMYXDPTQMSBKJ-UHFFFAOYSA-N 1 2 289.404 1.802 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2csc(C3CC3)n2)CC1 ZINC000989783832 791530292 /nfs/dbraw/zinc/53/02/92/791530292.db2.gz HCMYXDPTQMSBKJ-UHFFFAOYSA-N 1 2 289.404 1.802 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cn(CC)nn2)C1 ZINC001046737077 791546288 /nfs/dbraw/zinc/54/62/88/791546288.db2.gz ODSOJMVWKOWVMX-CYBMUJFWSA-N 1 2 297.790 1.245 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cn(CC)nn2)C1 ZINC001046737077 791546299 /nfs/dbraw/zinc/54/62/99/791546299.db2.gz ODSOJMVWKOWVMX-CYBMUJFWSA-N 1 2 297.790 1.245 20 30 CDEDLO NC(=[NH+]OCc1nnnn1-c1ccccc1)c1ccccc1 ZINC000177526850 791554649 /nfs/dbraw/zinc/55/46/49/791554649.db2.gz LENHYSCZDBUMQH-UHFFFAOYSA-N 1 2 294.318 1.499 20 30 CDEDLO C[C@@H](CC(=O)OCC(=O)N(C)C(C)(C)C#N)n1cc[nH+]c1 ZINC000845278407 791601086 /nfs/dbraw/zinc/60/10/86/791601086.db2.gz OKIQKHIOFQHZTQ-NSHDSACASA-N 1 2 292.339 1.138 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000812016444 791687071 /nfs/dbraw/zinc/68/70/71/791687071.db2.gz GUCRQIOVEPLUQU-CYBMUJFWSA-N 1 2 271.364 1.665 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)C(C)(C)c2cccnc2)C1 ZINC001043180533 791716865 /nfs/dbraw/zinc/71/68/65/791716865.db2.gz JMVHPCNHYKWEPI-UHFFFAOYSA-N 1 2 285.391 1.525 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc(F)c1 ZINC001050803037 791754586 /nfs/dbraw/zinc/75/45/86/791754586.db2.gz QUWYZAGMVNAEFP-HNNXBMFYSA-N 1 2 292.354 1.832 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc(F)c1 ZINC001050803037 791754588 /nfs/dbraw/zinc/75/45/88/791754588.db2.gz QUWYZAGMVNAEFP-HNNXBMFYSA-N 1 2 292.354 1.832 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](CN2C(=O)CC3(CCCC3)C2=O)C1 ZINC000853525444 791772217 /nfs/dbraw/zinc/77/22/17/791772217.db2.gz FBYVMKFTIFUGCJ-ZDUSSCGKSA-N 1 2 289.379 1.889 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](CN2C(=O)CC3(CCCC3)C2=O)C1 ZINC000853525444 791772221 /nfs/dbraw/zinc/77/22/21/791772221.db2.gz FBYVMKFTIFUGCJ-ZDUSSCGKSA-N 1 2 289.379 1.889 20 30 CDEDLO C#CC[N@@H+](CN1C[C@H](OC)CC1=O)[C@H]1CCc2ccccc21 ZINC000248932581 791795847 /nfs/dbraw/zinc/79/58/47/791795847.db2.gz BLXRGOPYYALRLP-WBVHZDCISA-N 1 2 298.386 1.814 20 30 CDEDLO C#CC[N@H+](CN1C[C@H](OC)CC1=O)[C@H]1CCc2ccccc21 ZINC000248932581 791795849 /nfs/dbraw/zinc/79/58/49/791795849.db2.gz BLXRGOPYYALRLP-WBVHZDCISA-N 1 2 298.386 1.814 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)C(F)F)C[C@@H]21 ZINC001041877273 791812794 /nfs/dbraw/zinc/81/27/94/791812794.db2.gz AZMXNURKSNQPII-UWVGGRQHSA-N 1 2 278.730 1.927 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)C(F)F)C[C@@H]21 ZINC001041877273 791812795 /nfs/dbraw/zinc/81/27/95/791812795.db2.gz AZMXNURKSNQPII-UWVGGRQHSA-N 1 2 278.730 1.927 20 30 CDEDLO C#CC[C@@H]([NH2+][C@H]1CCc2cccnc2CC1)C(=O)OC ZINC000877582806 791820181 /nfs/dbraw/zinc/82/01/81/791820181.db2.gz HVEUVFTWJNJEIM-DZGCQCFKSA-N 1 2 272.348 1.484 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2cc(C(C)(C)C)on2)C1 ZINC001030663171 791839989 /nfs/dbraw/zinc/83/99/89/791839989.db2.gz KCEAPOCTCVYDPD-UHFFFAOYSA-N 1 2 277.368 1.962 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cncn3C)[C@@H]2C1 ZINC001075998167 791859015 /nfs/dbraw/zinc/85/90/15/791859015.db2.gz DAMLJNNGAGUZBS-WCQYABFASA-N 1 2 294.786 1.319 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cncn3C)[C@@H]2C1 ZINC001075998167 791859018 /nfs/dbraw/zinc/85/90/18/791859018.db2.gz DAMLJNNGAGUZBS-WCQYABFASA-N 1 2 294.786 1.319 20 30 CDEDLO C#CCC[NH+]1CCN(S(=O)(=O)C[C@@H](C)CCC)CC1 ZINC000113283176 791899698 /nfs/dbraw/zinc/89/96/98/791899698.db2.gz KKBWTJSSVPDBGQ-AWEZNQCLSA-N 1 2 286.441 1.393 20 30 CDEDLO CC[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1NCC#N ZINC001037894753 791916595 /nfs/dbraw/zinc/91/65/95/791916595.db2.gz CXHUFVOTZMCQSN-KBPBESRZSA-N 1 2 289.383 1.013 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccn1C(C)C ZINC001032786510 792012819 /nfs/dbraw/zinc/01/28/19/792012819.db2.gz GKFMKKXVWKLPBW-GJZGRUSLSA-N 1 2 285.391 1.991 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccn1C(C)C ZINC001032786510 792012830 /nfs/dbraw/zinc/01/28/30/792012830.db2.gz GKFMKKXVWKLPBW-GJZGRUSLSA-N 1 2 285.391 1.991 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3nonc3c2)C1 ZINC001030885069 792021131 /nfs/dbraw/zinc/02/11/31/792021131.db2.gz UWOYNBCKFNLBGU-UHFFFAOYSA-N 1 2 272.308 1.213 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)nc1OCC ZINC001032709265 792021893 /nfs/dbraw/zinc/02/18/93/792021893.db2.gz XLXPKUBWHOEYBM-KBPBESRZSA-N 1 2 299.374 1.321 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)nc1OCC ZINC001032709265 792021903 /nfs/dbraw/zinc/02/19/03/792021903.db2.gz XLXPKUBWHOEYBM-KBPBESRZSA-N 1 2 299.374 1.321 20 30 CDEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1cccnc1Cl ZINC000852752081 792051379 /nfs/dbraw/zinc/05/13/79/792051379.db2.gz OVRLEFVAEIMPFA-UHFFFAOYSA-N 1 2 295.770 1.645 20 30 CDEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1cccnc1Cl ZINC000852752081 792051390 /nfs/dbraw/zinc/05/13/90/792051390.db2.gz OVRLEFVAEIMPFA-UHFFFAOYSA-N 1 2 295.770 1.645 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)C#Cc1cccs1)[NH+]1CCOCC1 ZINC000825727082 792248974 /nfs/dbraw/zinc/24/89/74/792248974.db2.gz HVMMHMFFENCUOA-QWHCGFSZSA-N 1 2 292.404 1.325 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000874706491 792258434 /nfs/dbraw/zinc/25/84/34/792258434.db2.gz QYIXIJZYAREIBN-ZBFHGGJFSA-N 1 2 298.427 1.442 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000874706491 792258455 /nfs/dbraw/zinc/25/84/55/792258455.db2.gz QYIXIJZYAREIBN-ZBFHGGJFSA-N 1 2 298.427 1.442 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001031405025 792308351 /nfs/dbraw/zinc/30/83/51/792308351.db2.gz MUKOSRXJTPIIPV-UHFFFAOYSA-N 1 2 274.339 1.880 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC001030712045 792338829 /nfs/dbraw/zinc/33/88/29/792338829.db2.gz FCENNDXYSXMMBT-UONOGXRCSA-N 1 2 264.369 1.321 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)ccc2F)C1 ZINC001035526703 792352025 /nfs/dbraw/zinc/35/20/25/792352025.db2.gz RZOFJJHGRXAUML-ZDUSSCGKSA-N 1 2 292.354 1.751 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)ccc2F)C1 ZINC001035526703 792352040 /nfs/dbraw/zinc/35/20/40/792352040.db2.gz RZOFJJHGRXAUML-ZDUSSCGKSA-N 1 2 292.354 1.751 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnnn2CC)C1 ZINC001033054148 792374379 /nfs/dbraw/zinc/37/43/79/792374379.db2.gz OQNLHMTVWHKSDY-NSHDSACASA-N 1 2 297.790 1.197 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnnn2CC)C1 ZINC001033054148 792374388 /nfs/dbraw/zinc/37/43/88/792374388.db2.gz OQNLHMTVWHKSDY-NSHDSACASA-N 1 2 297.790 1.197 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CCC(C)(F)F)C1 ZINC000885508556 792390301 /nfs/dbraw/zinc/39/03/01/792390301.db2.gz IFDXUJWNWXSORX-LLVKDONJSA-N 1 2 294.367 1.049 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCC(C)(F)F)C1 ZINC000885508556 792390308 /nfs/dbraw/zinc/39/03/08/792390308.db2.gz IFDXUJWNWXSORX-LLVKDONJSA-N 1 2 294.367 1.049 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC001030644962 792424280 /nfs/dbraw/zinc/42/42/80/792424280.db2.gz GLRYIQZKGQYBAT-UHFFFAOYSA-N 1 2 299.374 1.561 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCCO[C@@H]2C)C1 ZINC001030253634 792431866 /nfs/dbraw/zinc/43/18/66/792431866.db2.gz RUOCUTYWHTYIKY-YPMHNXCESA-N 1 2 252.358 1.178 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc[nH]3)C[C@H]21 ZINC001074160579 792531397 /nfs/dbraw/zinc/53/13/97/792531397.db2.gz UOFKOZONDZYGFO-HUUCEWRRSA-N 1 2 289.379 1.506 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc[nH]3)C[C@H]21 ZINC001074160579 792531448 /nfs/dbraw/zinc/53/14/48/792531448.db2.gz UOFKOZONDZYGFO-HUUCEWRRSA-N 1 2 289.379 1.506 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc3n[nH]cc32)C1 ZINC001033315874 792644933 /nfs/dbraw/zinc/64/49/33/792644933.db2.gz NBYUDOOQVIQGKO-LBPRGKRZSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3n[nH]cc32)C1 ZINC001033315874 792644951 /nfs/dbraw/zinc/64/49/51/792644951.db2.gz NBYUDOOQVIQGKO-LBPRGKRZSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C2CCC(F)(F)CC2)C1 ZINC001031007660 792668312 /nfs/dbraw/zinc/66/83/12/792668312.db2.gz GKLXVIYRSZXYRU-UHFFFAOYSA-N 1 2 270.323 1.636 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000785759282 792677997 /nfs/dbraw/zinc/67/79/97/792677997.db2.gz JGVIQZXRNCBBER-GUTXKFCHSA-N 1 2 267.369 1.995 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000785759282 792678021 /nfs/dbraw/zinc/67/80/21/792678021.db2.gz JGVIQZXRNCBBER-GUTXKFCHSA-N 1 2 267.369 1.995 20 30 CDEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2ccccn2)CC1 ZINC000886780131 792708202 /nfs/dbraw/zinc/70/82/02/792708202.db2.gz AOVATZYSQGKPJR-UHFFFAOYSA-N 1 2 275.352 1.423 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCO[C@@H]2C(C)C)C1 ZINC001042883077 792762481 /nfs/dbraw/zinc/76/24/81/792762481.db2.gz SQSYDDKOZLJBRL-ZIAGYGMSSA-N 1 2 266.385 1.376 20 30 CDEDLO C#CCCCCCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857943776 792800890 /nfs/dbraw/zinc/80/08/90/792800890.db2.gz GPQWWNFLRUINFK-ZDUSSCGKSA-N 1 2 259.353 1.898 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029511234 792817921 /nfs/dbraw/zinc/81/79/21/792817921.db2.gz DKWQJMJSBMKLIM-XGUBFFRZSA-N 1 2 296.386 1.612 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029511234 792817924 /nfs/dbraw/zinc/81/79/24/792817924.db2.gz DKWQJMJSBMKLIM-XGUBFFRZSA-N 1 2 296.386 1.612 20 30 CDEDLO N#CCN[C@H]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000981170863 792836532 /nfs/dbraw/zinc/83/65/32/792836532.db2.gz RCSDYAXVSUCNQR-QWHCGFSZSA-N 1 2 297.362 1.717 20 30 CDEDLO C#CCCN1CC[NH+]([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)CC1 ZINC000851873103 792849890 /nfs/dbraw/zinc/84/98/90/792849890.db2.gz QDELEMHBNVYCBU-BZUAXINKSA-N 1 2 289.423 1.075 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1occ2c1CCOC2 ZINC001038558801 792862216 /nfs/dbraw/zinc/86/22/16/792862216.db2.gz PPYCYPDZFACWSF-ZDUSSCGKSA-N 1 2 288.347 1.180 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1occ2c1CCOC2 ZINC001038558801 792862217 /nfs/dbraw/zinc/86/22/17/792862217.db2.gz PPYCYPDZFACWSF-ZDUSSCGKSA-N 1 2 288.347 1.180 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cncc(F)c2)C1 ZINC001035330096 792878501 /nfs/dbraw/zinc/87/85/01/792878501.db2.gz LQQKCOKTQKJOIR-AWEZNQCLSA-N 1 2 293.342 1.227 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cncc(F)c2)C1 ZINC001035330096 792878502 /nfs/dbraw/zinc/87/85/02/792878502.db2.gz LQQKCOKTQKJOIR-AWEZNQCLSA-N 1 2 293.342 1.227 20 30 CDEDLO C[C@H]1C[C@H]([NH2+]Cc2cnsn2)CN1C(=O)C#CC1CC1 ZINC000988809777 792898447 /nfs/dbraw/zinc/89/84/47/792898447.db2.gz FBQQZNUDBLNABD-JQWIXIFHSA-N 1 2 290.392 1.031 20 30 CDEDLO Cc1nc(C#N)cc(N2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000881777997 792900481 /nfs/dbraw/zinc/90/04/81/792900481.db2.gz WUCFNVNHTSNAIK-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnn([C@@H](C)CC)c2C)C1 ZINC001031230225 792927457 /nfs/dbraw/zinc/92/74/57/792927457.db2.gz DSKSTKSVVCFARZ-LBPRGKRZSA-N 1 2 288.395 1.600 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(NC(C)=O)cc1 ZINC001038961925 793075744 /nfs/dbraw/zinc/07/57/44/793075744.db2.gz ZTQOMVHRENSUSM-MRXNPFEDSA-N 1 2 299.374 1.472 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(NC(C)=O)cc1 ZINC001038961925 793075756 /nfs/dbraw/zinc/07/57/56/793075756.db2.gz ZTQOMVHRENSUSM-MRXNPFEDSA-N 1 2 299.374 1.472 20 30 CDEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)/C(C)=C/C)C2)CC1 ZINC001052010093 793146071 /nfs/dbraw/zinc/14/60/71/793146071.db2.gz SOYUPYOOPWRSLY-HSUWOCHWSA-N 1 2 289.423 1.194 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2cnc(CC)s2)CC1 ZINC000989774649 793157758 /nfs/dbraw/zinc/15/77/58/793157758.db2.gz CTNGCNNCUKUFJM-UHFFFAOYSA-N 1 2 291.420 1.877 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2cnc(CC)s2)CC1 ZINC000989774649 793157798 /nfs/dbraw/zinc/15/77/98/793157798.db2.gz CTNGCNNCUKUFJM-UHFFFAOYSA-N 1 2 291.420 1.877 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc(F)c1 ZINC001032767076 793162656 /nfs/dbraw/zinc/16/26/56/793162656.db2.gz GNUNSVHMVCSJRZ-GJZGRUSLSA-N 1 2 272.323 1.287 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc(F)c1 ZINC001032767076 793162665 /nfs/dbraw/zinc/16/26/65/793162665.db2.gz GNUNSVHMVCSJRZ-GJZGRUSLSA-N 1 2 272.323 1.287 20 30 CDEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)/C(C)=C\C)C2)CC1 ZINC001052008084 793232908 /nfs/dbraw/zinc/23/29/08/793232908.db2.gz CMAQWAZXKOVORV-DNBBOTNYSA-N 1 2 289.423 1.194 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(F)c(C)c1 ZINC000884063496 793246142 /nfs/dbraw/zinc/24/61/42/793246142.db2.gz BNNDSUDHZYFUPG-ZDUSSCGKSA-N 1 2 294.326 1.197 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccncc2CC)C1 ZINC001035419314 793287294 /nfs/dbraw/zinc/28/72/94/793287294.db2.gz OWNPYXUWHXBAOK-AWEZNQCLSA-N 1 2 289.379 1.261 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccncc2CC)C1 ZINC001035419314 793287307 /nfs/dbraw/zinc/28/73/07/793287307.db2.gz OWNPYXUWHXBAOK-AWEZNQCLSA-N 1 2 289.379 1.261 20 30 CDEDLO Nc1ncc2c(n1)CCCC2=[NH+]OC[C@H]1CCOC1 ZINC000814912443 793305939 /nfs/dbraw/zinc/30/59/39/793305939.db2.gz SVXUFINNPVSNIH-VIFPVBQESA-N 1 2 262.313 1.152 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCCO2)C1 ZINC001032920446 793316839 /nfs/dbraw/zinc/31/68/39/793316839.db2.gz RFGJUQLHONSXBI-QWHCGFSZSA-N 1 2 286.803 1.841 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCCO2)C1 ZINC001032920446 793316847 /nfs/dbraw/zinc/31/68/47/793316847.db2.gz RFGJUQLHONSXBI-QWHCGFSZSA-N 1 2 286.803 1.841 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H]2CCOC[C@@H]2OC)C1 ZINC001042894335 793326175 /nfs/dbraw/zinc/32/61/75/793326175.db2.gz JLOKLQHSZXYTTO-ZFWWWQNUSA-N 1 2 296.411 1.147 20 30 CDEDLO N#CCC(=O)N1CC[NH+](C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000886228814 793355493 /nfs/dbraw/zinc/35/54/93/793355493.db2.gz GIKFORCOLUMMFZ-KGLIPLIRSA-N 1 2 277.368 1.002 20 30 CDEDLO Cc1nn(-c2ccccn2)c(C)c1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000802712015 793386713 /nfs/dbraw/zinc/38/67/13/793386713.db2.gz FVXDIOKLNIOGKJ-SNVBAGLBSA-N 1 2 297.366 1.155 20 30 CDEDLO C=CCn1cccc1C(=O)NC[C@H]1COCC[N@H+]1CCC ZINC001050955891 793434730 /nfs/dbraw/zinc/43/47/30/793434730.db2.gz QKEAHKCMINAULG-AWEZNQCLSA-N 1 2 291.395 1.515 20 30 CDEDLO C=CCn1cccc1C(=O)NC[C@H]1COCC[N@@H+]1CCC ZINC001050955891 793434737 /nfs/dbraw/zinc/43/47/37/793434737.db2.gz QKEAHKCMINAULG-AWEZNQCLSA-N 1 2 291.395 1.515 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1nccc2ccccc21 ZINC001038647463 793737520 /nfs/dbraw/zinc/73/75/20/793737520.db2.gz PJRZQKQOPCLNOX-CQSZACIVSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nccc2ccccc21 ZINC001038647463 793737545 /nfs/dbraw/zinc/73/75/45/793737545.db2.gz PJRZQKQOPCLNOX-CQSZACIVSA-N 1 2 279.343 1.672 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnon1 ZINC001028215184 793803618 /nfs/dbraw/zinc/80/36/18/793803618.db2.gz MJXNEZPOBLEWGX-VIFPVBQESA-N 1 2 270.720 1.016 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnon1 ZINC001028215184 793803619 /nfs/dbraw/zinc/80/36/19/793803619.db2.gz MJXNEZPOBLEWGX-VIFPVBQESA-N 1 2 270.720 1.016 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1c(C)coc1C ZINC001050901474 793808534 /nfs/dbraw/zinc/80/85/34/793808534.db2.gz AOTWWCRGLZINBP-AWEZNQCLSA-N 1 2 292.379 1.903 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c(C)coc1C ZINC001050901474 793808540 /nfs/dbraw/zinc/80/85/40/793808540.db2.gz AOTWWCRGLZINBP-AWEZNQCLSA-N 1 2 292.379 1.903 20 30 CDEDLO C#CCOc1ccc(C[N@H+](CC)CCS(C)(=O)=O)cc1 ZINC000093816112 793815479 /nfs/dbraw/zinc/81/54/79/793815479.db2.gz JXAPIKPJWZGGPP-UHFFFAOYSA-N 1 2 295.404 1.565 20 30 CDEDLO C#CCOc1ccc(C[N@@H+](CC)CCS(C)(=O)=O)cc1 ZINC000093816112 793815481 /nfs/dbraw/zinc/81/54/81/793815481.db2.gz JXAPIKPJWZGGPP-UHFFFAOYSA-N 1 2 295.404 1.565 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc2c1OCC2 ZINC000863572908 793817994 /nfs/dbraw/zinc/81/79/94/793817994.db2.gz RPPIQBBSVQKZHA-ZDUSSCGKSA-N 1 2 275.352 1.240 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc2c1OCC2 ZINC000863572908 793817995 /nfs/dbraw/zinc/81/79/95/793817995.db2.gz RPPIQBBSVQKZHA-ZDUSSCGKSA-N 1 2 275.352 1.240 20 30 CDEDLO Cc1ccn(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c(=O)c1C#N ZINC000789509766 793824708 /nfs/dbraw/zinc/82/47/08/793824708.db2.gz VPSCCFPLAGAHQO-CABCVRRESA-N 1 2 287.363 1.629 20 30 CDEDLO Cc1ccn(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c(=O)c1C#N ZINC000789509766 793824711 /nfs/dbraw/zinc/82/47/11/793824711.db2.gz VPSCCFPLAGAHQO-CABCVRRESA-N 1 2 287.363 1.629 20 30 CDEDLO C=CCCOCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935096520 793824974 /nfs/dbraw/zinc/82/49/74/793824974.db2.gz FYFWTQLBYUFIJP-UHFFFAOYSA-N 1 2 259.309 1.885 20 30 CDEDLO Nc1ncc(C=[NH+]NCc2cccc(Cl)c2)cn1 ZINC000781593297 793841054 /nfs/dbraw/zinc/84/10/54/793841054.db2.gz VVKFYSKALTZOHK-UHFFFAOYSA-N 1 2 261.716 1.836 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(C)CCC1)CO2 ZINC001053895216 793852744 /nfs/dbraw/zinc/85/27/44/793852744.db2.gz BTZUDGQVJPEQMV-CYBMUJFWSA-N 1 2 276.380 1.159 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(C)(C)CC(C)C ZINC000884171263 793858289 /nfs/dbraw/zinc/85/82/89/793858289.db2.gz QQUOLJXOUUYQLY-LBPRGKRZSA-N 1 2 284.400 1.622 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927092439 793983727 /nfs/dbraw/zinc/98/37/27/793983727.db2.gz IDZBXWJINSIBSK-LLVKDONJSA-N 1 2 258.325 1.644 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]nc1C ZINC001028062786 794039544 /nfs/dbraw/zinc/03/95/44/794039544.db2.gz ZWNQIPXGHYVYCK-LLVKDONJSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]nc1C ZINC001028062786 794039558 /nfs/dbraw/zinc/03/95/58/794039558.db2.gz ZWNQIPXGHYVYCK-LLVKDONJSA-N 1 2 282.775 1.665 20 30 CDEDLO CN(C(=O)c1cccc2[nH+]ccn21)C1CCN(CC#N)CC1 ZINC001005712667 794051465 /nfs/dbraw/zinc/05/14/65/794051465.db2.gz LCPLNNYVWGVTBB-UHFFFAOYSA-N 1 2 297.362 1.394 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000839558631 794057975 /nfs/dbraw/zinc/05/79/75/794057975.db2.gz SRSITCHHIOJKSR-UHFFFAOYSA-N 1 2 285.391 1.466 20 30 CDEDLO C#CC[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000839558631 794057985 /nfs/dbraw/zinc/05/79/85/794057985.db2.gz SRSITCHHIOJKSR-UHFFFAOYSA-N 1 2 285.391 1.466 20 30 CDEDLO C=C(C)C[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(=O)OCC ZINC000881756241 794092047 /nfs/dbraw/zinc/09/20/47/794092047.db2.gz UUTROQALDRPSOI-YPMHNXCESA-N 1 2 293.367 1.602 20 30 CDEDLO C=C(C)C[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(=O)OCC ZINC000881756241 794092059 /nfs/dbraw/zinc/09/20/59/794092059.db2.gz UUTROQALDRPSOI-YPMHNXCESA-N 1 2 293.367 1.602 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2cccc3ncn(C)c32)C1 ZINC001043131939 794160082 /nfs/dbraw/zinc/16/00/82/794160082.db2.gz BSWJZCJZKDGNIG-UHFFFAOYSA-N 1 2 284.363 1.516 20 30 CDEDLO C#CC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC000882532235 794166134 /nfs/dbraw/zinc/16/61/34/794166134.db2.gz HYQBEJPCWZMFHL-GFCCVEGCSA-N 1 2 257.337 1.508 20 30 CDEDLO CC(C)[C@@]1(C)NC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853525950 794186778 /nfs/dbraw/zinc/18/67/78/794186778.db2.gz KXLAZSNYFGQOCK-IUODEOHRSA-N 1 2 292.383 1.536 20 30 CDEDLO CC(C)[C@@]1(C)NC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853525950 794186787 /nfs/dbraw/zinc/18/67/87/794186787.db2.gz KXLAZSNYFGQOCK-IUODEOHRSA-N 1 2 292.383 1.536 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(CC)cc2)C1 ZINC001035595722 794188442 /nfs/dbraw/zinc/18/84/42/794188442.db2.gz QSWMSSSVOAADKX-INIZCTEOSA-N 1 2 288.391 1.866 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(CC)cc2)C1 ZINC001035595722 794188451 /nfs/dbraw/zinc/18/84/51/794188451.db2.gz QSWMSSSVOAADKX-INIZCTEOSA-N 1 2 288.391 1.866 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCC[C@H]1CCC ZINC000884123526 794193203 /nfs/dbraw/zinc/19/32/03/794193203.db2.gz WHADZTBNYULSLO-HZSPNIEDSA-N 1 2 296.411 1.908 20 30 CDEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CC1 ZINC001027708776 794215009 /nfs/dbraw/zinc/21/50/09/794215009.db2.gz XRRNEIRCDJSVDY-LLVKDONJSA-N 1 2 287.201 1.886 20 30 CDEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)C1CC1 ZINC001027708776 794215024 /nfs/dbraw/zinc/21/50/24/794215024.db2.gz XRRNEIRCDJSVDY-LLVKDONJSA-N 1 2 287.201 1.886 20 30 CDEDLO C#C[C@H](CC)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000821567535 794255192 /nfs/dbraw/zinc/25/51/92/794255192.db2.gz PLURNSJLGXVXAR-GFCCVEGCSA-N 1 2 260.341 1.641 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C/C3CC3)C[C@H]21 ZINC001074201470 794283134 /nfs/dbraw/zinc/28/31/34/794283134.db2.gz LRFHZWXFTLFWRQ-XEVLESSRSA-N 1 2 276.380 1.440 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C/C3CC3)C[C@H]21 ZINC001074201470 794283145 /nfs/dbraw/zinc/28/31/45/794283145.db2.gz LRFHZWXFTLFWRQ-XEVLESSRSA-N 1 2 276.380 1.440 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2F)C1 ZINC001035262695 794363142 /nfs/dbraw/zinc/36/31/42/794363142.db2.gz OLKMYDSXRNIYOO-GFCCVEGCSA-N 1 2 278.327 1.442 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccccc2F)C1 ZINC001035262695 794363152 /nfs/dbraw/zinc/36/31/52/794363152.db2.gz OLKMYDSXRNIYOO-GFCCVEGCSA-N 1 2 278.327 1.442 20 30 CDEDLO C#CCCCCC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000790134827 794419394 /nfs/dbraw/zinc/41/93/94/794419394.db2.gz CPQGUJUBLXBNMA-AWEZNQCLSA-N 1 2 266.385 1.359 20 30 CDEDLO C#CC[C@@H](CCOC)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000863779284 794471272 /nfs/dbraw/zinc/47/12/72/794471272.db2.gz LTMAGHRRNMTIOL-AWEZNQCLSA-N 1 2 285.347 1.801 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2onc(C)c2C)C1 ZINC001007575337 794491844 /nfs/dbraw/zinc/49/18/44/794491844.db2.gz LJZBDKBIAMCRMF-GFCCVEGCSA-N 1 2 261.325 1.119 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2onc(C)c2C)C1 ZINC001007575337 794491864 /nfs/dbraw/zinc/49/18/64/794491864.db2.gz LJZBDKBIAMCRMF-GFCCVEGCSA-N 1 2 261.325 1.119 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)C3CC3)C2)c1 ZINC001009834256 794546022 /nfs/dbraw/zinc/54/60/22/794546022.db2.gz SXAXPYLVCAWZDI-AWEZNQCLSA-N 1 2 287.338 1.798 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)C3CC3)C2)c1 ZINC001009834256 794546002 /nfs/dbraw/zinc/54/60/02/794546002.db2.gz SXAXPYLVCAWZDI-AWEZNQCLSA-N 1 2 287.338 1.798 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)nn(CC)c1C ZINC001038813505 794547311 /nfs/dbraw/zinc/54/73/11/794547311.db2.gz BWMBWSLOPLVDJT-CQSZACIVSA-N 1 2 288.395 1.347 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)nn(CC)c1C ZINC001038813505 794547325 /nfs/dbraw/zinc/54/73/25/794547325.db2.gz BWMBWSLOPLVDJT-CQSZACIVSA-N 1 2 288.395 1.347 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2CCO[C@@H](CC)C2)C1 ZINC001044155337 794628114 /nfs/dbraw/zinc/62/81/14/794628114.db2.gz FMKAPUHFYIKCDZ-HIFRSBDPSA-N 1 2 280.412 1.910 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccncc3)C[C@H]21 ZINC001074144833 794677369 /nfs/dbraw/zinc/67/73/69/794677369.db2.gz WAIREEDZMOUEFH-CVEARBPZSA-N 1 2 299.374 1.020 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccncc3)C[C@H]21 ZINC001074144833 794677397 /nfs/dbraw/zinc/67/73/97/794677397.db2.gz WAIREEDZMOUEFH-CVEARBPZSA-N 1 2 299.374 1.020 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccncc2CC)C1 ZINC001035419316 794707869 /nfs/dbraw/zinc/70/78/69/794707869.db2.gz OWNPYXUWHXBAOK-CQSZACIVSA-N 1 2 289.379 1.261 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccncc2CC)C1 ZINC001035419316 794707880 /nfs/dbraw/zinc/70/78/80/794707880.db2.gz OWNPYXUWHXBAOK-CQSZACIVSA-N 1 2 289.379 1.261 20 30 CDEDLO C#CCOCC[NH+]1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000851735593 794802187 /nfs/dbraw/zinc/80/21/87/794802187.db2.gz YEEVXWGTGKRISY-UHFFFAOYSA-N 1 2 290.363 1.304 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CO[C@H](C)C2)C1 ZINC001031790075 794803758 /nfs/dbraw/zinc/80/37/58/794803758.db2.gz QYINOVPFWSEAPA-ZYHUDNBSSA-N 1 2 272.776 1.212 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2cocn2)CC1 ZINC001002440156 794809367 /nfs/dbraw/zinc/80/93/67/794809367.db2.gz APEZNYRJZGMXJL-UHFFFAOYSA-N 1 2 269.732 1.621 20 30 CDEDLO Cn1c(C#N)ccc1C(=O)OCCCn1cc[nH+]c1 ZINC000837998368 794818766 /nfs/dbraw/zinc/81/87/66/794818766.db2.gz VUHSBOPKQRXUTN-UHFFFAOYSA-N 1 2 258.281 1.340 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2nc[nH]n2)C1 ZINC001033992908 794833433 /nfs/dbraw/zinc/83/34/33/794833433.db2.gz KOPBZYBJAUQAEM-JTQLQIEISA-N 1 2 283.763 1.094 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2nc[nH]n2)C1 ZINC001033992908 794833436 /nfs/dbraw/zinc/83/34/36/794833436.db2.gz KOPBZYBJAUQAEM-JTQLQIEISA-N 1 2 283.763 1.094 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc2nc(C)[nH]c21 ZINC001028246273 794841300 /nfs/dbraw/zinc/84/13/00/794841300.db2.gz QLFSIVLIBZJBBE-CYBMUJFWSA-N 1 2 296.374 1.699 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc2nc(C)[nH]c21 ZINC001028246273 794841306 /nfs/dbraw/zinc/84/13/06/794841306.db2.gz QLFSIVLIBZJBBE-CYBMUJFWSA-N 1 2 296.374 1.699 20 30 CDEDLO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1[nH]nc2c1CCCC2 ZINC001038454456 794900542 /nfs/dbraw/zinc/90/05/42/794900542.db2.gz YLXVVWZPAFURMS-LBPRGKRZSA-N 1 2 286.379 1.116 20 30 CDEDLO C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1[nH]nc2c1CCCC2 ZINC001038454456 794900550 /nfs/dbraw/zinc/90/05/50/794900550.db2.gz YLXVVWZPAFURMS-LBPRGKRZSA-N 1 2 286.379 1.116 20 30 CDEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)c1ccc[nH]1 ZINC001038052153 794933181 /nfs/dbraw/zinc/93/31/81/794933181.db2.gz OCMULFHFDCTASQ-INIZCTEOSA-N 1 2 293.370 1.871 20 30 CDEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)c1ccc[nH]1 ZINC001038052153 794933188 /nfs/dbraw/zinc/93/31/88/794933188.db2.gz OCMULFHFDCTASQ-INIZCTEOSA-N 1 2 293.370 1.871 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001031993108 795030736 /nfs/dbraw/zinc/03/07/36/795030736.db2.gz XLDLYLOFLFHOAE-UPJWGTAASA-N 1 2 284.787 1.354 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001032675579 795173795 /nfs/dbraw/zinc/17/37/95/795173795.db2.gz BZBBQIFXYITRIA-ZQDZILKHSA-N 1 2 258.365 1.341 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001032675579 795173811 /nfs/dbraw/zinc/17/38/11/795173811.db2.gz BZBBQIFXYITRIA-ZQDZILKHSA-N 1 2 258.365 1.341 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cn2cc3ccccc3n2)C1 ZINC001044199404 795227939 /nfs/dbraw/zinc/22/79/39/795227939.db2.gz NKPVQZUYUKNSND-UHFFFAOYSA-N 1 2 298.390 1.755 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc(OCC)c1 ZINC001038689050 795250120 /nfs/dbraw/zinc/25/01/20/795250120.db2.gz YPQYEAQOPQMTFV-AWEZNQCLSA-N 1 2 287.363 1.308 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc(OCC)c1 ZINC001038689050 795250127 /nfs/dbraw/zinc/25/01/27/795250127.db2.gz YPQYEAQOPQMTFV-AWEZNQCLSA-N 1 2 287.363 1.308 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(F)cn2)C1 ZINC001035340765 795279665 /nfs/dbraw/zinc/27/96/65/795279665.db2.gz MLRVTNVLFJRVJK-CYBMUJFWSA-N 1 2 293.342 1.227 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(F)cn2)C1 ZINC001035340765 795279679 /nfs/dbraw/zinc/27/96/79/795279679.db2.gz MLRVTNVLFJRVJK-CYBMUJFWSA-N 1 2 293.342 1.227 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nn1CC ZINC001032645104 795374503 /nfs/dbraw/zinc/37/45/03/795374503.db2.gz FXBYTPJDPUBMGS-KBPBESRZSA-N 1 2 286.379 1.133 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nn1CC ZINC001032645104 795374515 /nfs/dbraw/zinc/37/45/15/795374515.db2.gz FXBYTPJDPUBMGS-KBPBESRZSA-N 1 2 286.379 1.133 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001034478494 795446426 /nfs/dbraw/zinc/44/64/26/795446426.db2.gz APGOGKMRMBDHNI-LLVKDONJSA-N 1 2 297.790 1.070 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001034478494 795446444 /nfs/dbraw/zinc/44/64/44/795446444.db2.gz APGOGKMRMBDHNI-LLVKDONJSA-N 1 2 297.790 1.070 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2[nH]ccc2n1 ZINC001032517146 795459261 /nfs/dbraw/zinc/45/92/61/795459261.db2.gz IXPKHTBKLWFXHY-STQMWFEESA-N 1 2 294.358 1.485 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2[nH]ccc2n1 ZINC001032517146 795459269 /nfs/dbraw/zinc/45/92/69/795459269.db2.gz IXPKHTBKLWFXHY-STQMWFEESA-N 1 2 294.358 1.485 20 30 CDEDLO C#C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCCO1 ZINC000935460036 795569458 /nfs/dbraw/zinc/56/94/58/795569458.db2.gz UIRRTOAMYMGDNN-BXUZGUMPSA-N 1 2 269.304 1.474 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001028082548 795575566 /nfs/dbraw/zinc/57/55/66/795575566.db2.gz KBCBYNKXAAOPGW-WCQGTBRESA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001028082548 795575585 /nfs/dbraw/zinc/57/55/85/795575585.db2.gz KBCBYNKXAAOPGW-WCQGTBRESA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC001015909459 795684194 /nfs/dbraw/zinc/68/41/94/795684194.db2.gz XEKOIHYJQBAUIY-AAEUAGOBSA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC001015909459 795684210 /nfs/dbraw/zinc/68/42/10/795684210.db2.gz XEKOIHYJQBAUIY-AAEUAGOBSA-N 1 2 272.776 1.356 20 30 CDEDLO NC(=[NH+]OCC(=O)NCc1ccco1)c1ccccc1 ZINC000047823482 795696793 /nfs/dbraw/zinc/69/67/93/795696793.db2.gz MQGNMDTVZBZIIZ-UHFFFAOYSA-N 1 2 273.292 1.233 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001010148176 795748952 /nfs/dbraw/zinc/74/89/52/795748952.db2.gz YKHDHQHMVPZDBG-JTQLQIEISA-N 1 2 253.733 1.571 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001010148176 795748965 /nfs/dbraw/zinc/74/89/65/795748965.db2.gz YKHDHQHMVPZDBG-JTQLQIEISA-N 1 2 253.733 1.571 20 30 CDEDLO C#CCC(CC#C)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000881438603 795813149 /nfs/dbraw/zinc/81/31/49/795813149.db2.gz WFFRBWKPZWNBJA-QGZVFWFLSA-N 1 2 280.371 1.952 20 30 CDEDLO C#CCC(CC#C)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000881438603 795813152 /nfs/dbraw/zinc/81/31/52/795813152.db2.gz WFFRBWKPZWNBJA-QGZVFWFLSA-N 1 2 280.371 1.952 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1oc(C)cc1C ZINC001050856215 795827266 /nfs/dbraw/zinc/82/72/66/795827266.db2.gz DRHCOIBXHUEHPU-AWEZNQCLSA-N 1 2 292.379 1.903 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1oc(C)cc1C ZINC001050856215 795827269 /nfs/dbraw/zinc/82/72/69/795827269.db2.gz DRHCOIBXHUEHPU-AWEZNQCLSA-N 1 2 292.379 1.903 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)C1CCCCC1 ZINC000884047183 795828797 /nfs/dbraw/zinc/82/87/97/795828797.db2.gz IWDLLQISWPNSCI-ZDUSSCGKSA-N 1 2 282.384 1.614 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001043939934 795833174 /nfs/dbraw/zinc/83/31/74/795833174.db2.gz ZGJMYDFJOXGEOI-LSDHHAIUSA-N 1 2 288.395 1.242 20 30 CDEDLO C#CCC[N@@H+](CCOC)CN1CC2(CCCC2)OC1=O ZINC000853620728 795843927 /nfs/dbraw/zinc/84/39/27/795843927.db2.gz BMCZVZWQFZCGAV-UHFFFAOYSA-N 1 2 280.368 1.681 20 30 CDEDLO C#CCC[N@H+](CCOC)CN1CC2(CCCC2)OC1=O ZINC000853620728 795843929 /nfs/dbraw/zinc/84/39/29/795843929.db2.gz BMCZVZWQFZCGAV-UHFFFAOYSA-N 1 2 280.368 1.681 20 30 CDEDLO CC#CCCCC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800202552 795843979 /nfs/dbraw/zinc/84/39/79/795843979.db2.gz AKHZJKPWSUPGNM-ZDUSSCGKSA-N 1 2 253.342 1.444 20 30 CDEDLO CC#CCCCC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800202552 795843981 /nfs/dbraw/zinc/84/39/81/795843981.db2.gz AKHZJKPWSUPGNM-ZDUSSCGKSA-N 1 2 253.342 1.444 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)Nc1cccc(OCC#N)c1 ZINC000793090206 795866369 /nfs/dbraw/zinc/86/63/69/795866369.db2.gz YSZGPCZIDWZZHG-UHFFFAOYSA-N 1 2 284.319 1.894 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cnccc2OC)C1 ZINC001030514427 795886459 /nfs/dbraw/zinc/88/64/59/795886459.db2.gz PFKKLURNRNWQLM-UHFFFAOYSA-N 1 2 275.352 1.009 20 30 CDEDLO C=CC[C@@H](C)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925584210 795943575 /nfs/dbraw/zinc/94/35/75/795943575.db2.gz BHCZGKPXVKZJBM-OLZOCXBDSA-N 1 2 269.389 1.361 20 30 CDEDLO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2scnc2CC)C1 ZINC001047402674 795945127 /nfs/dbraw/zinc/94/51/27/795945127.db2.gz XCWGZKXYMRTCSI-RYUDHWBXSA-N 1 2 295.408 1.009 20 30 CDEDLO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2scnc2CC)C1 ZINC001047402674 795945134 /nfs/dbraw/zinc/94/51/34/795945134.db2.gz XCWGZKXYMRTCSI-RYUDHWBXSA-N 1 2 295.408 1.009 20 30 CDEDLO Cc1cc(N2CCN(C(=O)[C@@H](C)C#N)CC2)nc(C2CC2)[nH+]1 ZINC001055742483 795967427 /nfs/dbraw/zinc/96/74/27/795967427.db2.gz RZQPAWNRUCZGFG-NSHDSACASA-N 1 2 299.378 1.471 20 30 CDEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1sccc1C(N)=O ZINC000846985633 795995361 /nfs/dbraw/zinc/99/53/61/795995361.db2.gz GVVWSAOTRLXDSJ-DTWKUNHWSA-N 1 2 294.380 1.456 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn(CC(C)C)c2)C1 ZINC001044096054 796022548 /nfs/dbraw/zinc/02/25/48/796022548.db2.gz SRMCTDBUZXGZHK-UHFFFAOYSA-N 1 2 288.395 1.319 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cocc1C ZINC001051064823 796062400 /nfs/dbraw/zinc/06/24/00/796062400.db2.gz SKRSPIWEATXAKS-AWEZNQCLSA-N 1 2 292.379 1.985 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cocc1C ZINC001051064823 796062409 /nfs/dbraw/zinc/06/24/09/796062409.db2.gz SKRSPIWEATXAKS-AWEZNQCLSA-N 1 2 292.379 1.985 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(Cl)nc1 ZINC000884065326 796091398 /nfs/dbraw/zinc/09/13/98/796091398.db2.gz LNOCQLSTZNVGGN-VIFPVBQESA-N 1 2 283.715 1.120 20 30 CDEDLO C#CCN1CC(N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001044131840 796153986 /nfs/dbraw/zinc/15/39/86/796153986.db2.gz YNSWVDFVWDJINK-UHFFFAOYSA-N 1 2 294.358 1.262 20 30 CDEDLO COC(=O)C[N@H+](CCO[C@@H](C)C#N)CCc1ccccc1 ZINC000801938965 796306789 /nfs/dbraw/zinc/30/67/89/796306789.db2.gz MASXAUQVSBCUQS-AWEZNQCLSA-N 1 2 290.363 1.633 20 30 CDEDLO COC(=O)C[N@@H+](CCO[C@@H](C)C#N)CCc1ccccc1 ZINC000801938965 796306793 /nfs/dbraw/zinc/30/67/93/796306793.db2.gz MASXAUQVSBCUQS-AWEZNQCLSA-N 1 2 290.363 1.633 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1C1CC1)CO2 ZINC001053952890 796329589 /nfs/dbraw/zinc/32/95/89/796329589.db2.gz FPOIGCUFXCCXFM-SOUVJXGZSA-N 1 2 288.391 1.015 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2nsnc21 ZINC001038864405 796347551 /nfs/dbraw/zinc/34/75/51/796347551.db2.gz QFJVZNFZJLUNPB-SNVBAGLBSA-N 1 2 286.360 1.129 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2nsnc21 ZINC001038864405 796347555 /nfs/dbraw/zinc/34/75/55/796347555.db2.gz QFJVZNFZJLUNPB-SNVBAGLBSA-N 1 2 286.360 1.129 20 30 CDEDLO COC(=O)N[C@H]1CC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000886865168 796392712 /nfs/dbraw/zinc/39/27/12/796392712.db2.gz CEWKVFLRZRZJGS-ZDUSSCGKSA-N 1 2 298.346 1.741 20 30 CDEDLO COC(=O)N[C@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000886865168 796392717 /nfs/dbraw/zinc/39/27/17/796392717.db2.gz CEWKVFLRZRZJGS-ZDUSSCGKSA-N 1 2 298.346 1.741 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cccn2)C1 ZINC001032904311 796393643 /nfs/dbraw/zinc/39/36/43/796393643.db2.gz GKFGABHTWFCXNP-GFCCVEGCSA-N 1 2 282.775 1.168 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cccn2)C1 ZINC001032904311 796393650 /nfs/dbraw/zinc/39/36/50/796393650.db2.gz GKFGABHTWFCXNP-GFCCVEGCSA-N 1 2 282.775 1.168 20 30 CDEDLO CC(C)C[C@H](C#N)[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173750204 912788125 /nfs/dbraw/zinc/78/81/25/912788125.db2.gz HUJMAGATQZVELK-JHJVBQTASA-N 1 2 262.361 1.685 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(O)c(OCC)c2)CC1 ZINC001204133530 912839510 /nfs/dbraw/zinc/83/95/10/912839510.db2.gz URBJJLPFCQZLSQ-UHFFFAOYSA-N 1 2 274.364 1.542 20 30 CDEDLO C#CCN1CC[NH+](Cc2ccc(O)c(OCC)c2)CC1 ZINC001204133530 912839524 /nfs/dbraw/zinc/83/95/24/912839524.db2.gz URBJJLPFCQZLSQ-UHFFFAOYSA-N 1 2 274.364 1.542 20 30 CDEDLO N#Cc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)cn1 ZINC001174973576 913400665 /nfs/dbraw/zinc/40/06/65/913400665.db2.gz PWNXISZKOPGJBZ-UHFFFAOYSA-N 1 2 281.319 1.928 20 30 CDEDLO C[C@H](CCNc1ccc(C#N)nc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001106598681 914057257 /nfs/dbraw/zinc/05/72/57/914057257.db2.gz NRRHFLWFPJGUGP-LLVKDONJSA-N 1 2 298.350 1.226 20 30 CDEDLO COc1ncc([NH+]=C(NO)c2ccccc2N)cc1F ZINC001203410530 897497222 /nfs/dbraw/zinc/49/72/22/897497222.db2.gz RIARTDGNTISIMN-UHFFFAOYSA-N 1 2 276.271 1.869 20 30 CDEDLO Cc1nc[nH]c1C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001480956236 898205672 /nfs/dbraw/zinc/20/56/72/898205672.db2.gz NPVPKNPZNIQHRZ-UHFFFAOYSA-N 1 2 297.362 1.452 20 30 CDEDLO Cc1nc[nH]c1C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001480956236 898205686 /nfs/dbraw/zinc/20/56/86/898205686.db2.gz NPVPKNPZNIQHRZ-UHFFFAOYSA-N 1 2 297.362 1.452 20 30 CDEDLO N#Cc1ccn(-c2ccc[nH+]c2N2CCCC2)c1N ZINC001176750575 914241149 /nfs/dbraw/zinc/24/11/49/914241149.db2.gz ZERMUPQZFFAOMS-UHFFFAOYSA-N 1 2 253.309 1.926 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H](F)CC ZINC001480993025 898442339 /nfs/dbraw/zinc/44/23/39/898442339.db2.gz KRBIDCLXGIDOFX-JTQLQIEISA-N 1 2 250.745 1.925 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H](F)CC ZINC001480993025 898442346 /nfs/dbraw/zinc/44/23/46/898442346.db2.gz KRBIDCLXGIDOFX-JTQLQIEISA-N 1 2 250.745 1.925 20 30 CDEDLO Cc1nc(NC[C@H](NC(=O)[C@@H](C)C#N)C(C)(C)C)cc[nH+]1 ZINC001125821849 898491615 /nfs/dbraw/zinc/49/16/15/898491615.db2.gz LIDCVUDYQZTPBL-JQWIXIFHSA-N 1 2 289.383 1.888 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCCOC)C[C@@H]21 ZINC001176938426 914374969 /nfs/dbraw/zinc/37/49/69/914374969.db2.gz VLHFBNFEDXGBQC-GJZGRUSLSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCCOC)C[C@@H]21 ZINC001176938426 914374985 /nfs/dbraw/zinc/37/49/85/914374985.db2.gz VLHFBNFEDXGBQC-GJZGRUSLSA-N 1 2 296.411 1.291 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H]2OCC[N@H+](CCC#C)[C@@H]2C1 ZINC001177005561 914430464 /nfs/dbraw/zinc/43/04/64/914430464.db2.gz HYOYZNRBKCUUKG-HZPDHXFCSA-N 1 2 288.391 1.115 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H]2OCC[N@@H+](CCC#C)[C@@H]2C1 ZINC001177005561 914430474 /nfs/dbraw/zinc/43/04/74/914430474.db2.gz HYOYZNRBKCUUKG-HZPDHXFCSA-N 1 2 288.391 1.115 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]2OCC[N@@H+](CC)[C@@H]2C1 ZINC001177108141 914490175 /nfs/dbraw/zinc/49/01/75/914490175.db2.gz YMFAMFBLEWNJFO-KGLIPLIRSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]2OCC[N@H+](CC)[C@@H]2C1 ZINC001177108141 914490181 /nfs/dbraw/zinc/49/01/81/914490181.db2.gz YMFAMFBLEWNJFO-KGLIPLIRSA-N 1 2 280.412 1.910 20 30 CDEDLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139707269 901455202 /nfs/dbraw/zinc/45/52/02/901455202.db2.gz VKNQDVHFENEXSZ-NSHDSACASA-N 1 2 282.347 1.702 20 30 CDEDLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139707269 901455209 /nfs/dbraw/zinc/45/52/09/901455209.db2.gz VKNQDVHFENEXSZ-NSHDSACASA-N 1 2 282.347 1.702 20 30 CDEDLO C#CC(=O)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001268941472 903254383 /nfs/dbraw/zinc/25/43/83/903254383.db2.gz BHGBAZHLUHOOBA-UHFFFAOYSA-N 1 2 260.259 1.249 20 30 CDEDLO C#CC(=O)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001268941472 903254392 /nfs/dbraw/zinc/25/43/92/903254392.db2.gz BHGBAZHLUHOOBA-UHFFFAOYSA-N 1 2 260.259 1.249 20 30 CDEDLO C=CC[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](COCCOC)C2 ZINC001268967736 903289893 /nfs/dbraw/zinc/28/98/93/903289893.db2.gz DDFWNPLJHHNFKY-CQSZACIVSA-N 1 2 296.411 1.353 20 30 CDEDLO C=CC[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](COCCOC)C2 ZINC001268967736 903289899 /nfs/dbraw/zinc/28/98/99/903289899.db2.gz DDFWNPLJHHNFKY-CQSZACIVSA-N 1 2 296.411 1.353 20 30 CDEDLO C=CCOCC(=O)N1CC[C@H]([N@H+](C)Cc2cc(C)on2)C1 ZINC001189370981 921445075 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FWGRQHUDKRXRCE-GFCCVEGCSA-N 1 2 273.336 1.379 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)on2)C1 ZINC001079386370 924283445 /nfs/dbraw/zinc/28/34/45/924283445.db2.gz HWLQTHFBDPPELE-PRHODGIISA-N 1 2 283.759 1.786 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)on2)C1 ZINC001079386370 924283456 /nfs/dbraw/zinc/28/34/56/924283456.db2.gz HWLQTHFBDPPELE-PRHODGIISA-N 1 2 283.759 1.786 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccnnc2C)C1 ZINC001080049948 924475033 /nfs/dbraw/zinc/47/50/33/924475033.db2.gz RYCIZUVWKLMRHZ-NOZJJQNGSA-N 1 2 294.786 1.588 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccnnc2C)C1 ZINC001080049948 924475037 /nfs/dbraw/zinc/47/50/37/924475037.db2.gz RYCIZUVWKLMRHZ-NOZJJQNGSA-N 1 2 294.786 1.588 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1O ZINC001195732800 924694742 /nfs/dbraw/zinc/69/47/42/924694742.db2.gz KAHPIJQAWSNVFS-HUUCEWRRSA-N 1 2 289.379 1.099 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1O ZINC001195732800 924694748 /nfs/dbraw/zinc/69/47/48/924694748.db2.gz KAHPIJQAWSNVFS-HUUCEWRRSA-N 1 2 289.379 1.099 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(F)=C(C)C)[C@H](O)C1 ZINC001099766725 925007255 /nfs/dbraw/zinc/00/72/55/925007255.db2.gz PAONMGNKSQGRTE-WDEREUQCSA-N 1 2 290.766 1.554 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(F)=C(C)C)[C@H](O)C1 ZINC001099766725 925007264 /nfs/dbraw/zinc/00/72/64/925007264.db2.gz PAONMGNKSQGRTE-WDEREUQCSA-N 1 2 290.766 1.554 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(Cl)c(C)cn2)CC1 ZINC001197286138 925114685 /nfs/dbraw/zinc/11/46/85/925114685.db2.gz ITRGFUPCPQOSMB-UHFFFAOYSA-N 1 2 279.771 1.987 20 30 CDEDLO C#CC1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001142219554 936992359 /nfs/dbraw/zinc/99/23/59/936992359.db2.gz VFJASGMAMGENDW-UHFFFAOYSA-N 1 2 288.416 1.978 20 30 CDEDLO C#CC1CCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001142219554 936992362 /nfs/dbraw/zinc/99/23/62/936992362.db2.gz VFJASGMAMGENDW-UHFFFAOYSA-N 1 2 288.416 1.978 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)CCCF)c1nccn12 ZINC001101637912 936995542 /nfs/dbraw/zinc/99/55/42/936995542.db2.gz SLOSMDFSRNJNKI-LBPRGKRZSA-N 1 2 292.358 1.391 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](F)CC)c1nccn12 ZINC001101636018 936995644 /nfs/dbraw/zinc/99/56/44/936995644.db2.gz YUNZSPHEGIXRSK-NWDGAFQWSA-N 1 2 292.358 1.389 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](OC)C1CC1)C2 ZINC001110516361 925486329 /nfs/dbraw/zinc/48/63/29/925486329.db2.gz SXPANTBNDMYDHN-MQYQWHSLSA-N 1 2 298.814 1.885 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](OC)C1CC1)C2 ZINC001110516361 925486331 /nfs/dbraw/zinc/48/63/31/925486331.db2.gz SXPANTBNDMYDHN-MQYQWHSLSA-N 1 2 298.814 1.885 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1C[N@@H+](Cc2csnn2)C[C@H]1C ZINC001101805581 937014103 /nfs/dbraw/zinc/01/41/03/937014103.db2.gz VBYLRAQBXOFHKA-VXGBXAGGSA-N 1 2 294.424 1.688 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1C[N@H+](Cc2csnn2)C[C@H]1C ZINC001101805581 937014105 /nfs/dbraw/zinc/01/41/05/937014105.db2.gz VBYLRAQBXOFHKA-VXGBXAGGSA-N 1 2 294.424 1.688 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2nccn2C(C)C)CC1 ZINC001199411484 925721807 /nfs/dbraw/zinc/72/18/07/925721807.db2.gz FEAZMLHUJPSRGT-UHFFFAOYSA-N 1 2 262.357 1.408 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1F ZINC001085456788 926002764 /nfs/dbraw/zinc/00/27/64/926002764.db2.gz SSUQIFSASIPXNY-LBPRGKRZSA-N 1 2 260.312 1.605 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1F ZINC001085456788 926002769 /nfs/dbraw/zinc/00/27/69/926002769.db2.gz SSUQIFSASIPXNY-LBPRGKRZSA-N 1 2 260.312 1.605 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccoc1C ZINC001085477015 926042518 /nfs/dbraw/zinc/04/25/18/926042518.db2.gz OBCLYLSFPPKATN-CYBMUJFWSA-N 1 2 260.337 1.758 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccoc1C ZINC001085477015 926042528 /nfs/dbraw/zinc/04/25/28/926042528.db2.gz OBCLYLSFPPKATN-CYBMUJFWSA-N 1 2 260.337 1.758 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccnc(F)c1 ZINC001085510775 926093829 /nfs/dbraw/zinc/09/38/29/926093829.db2.gz DCRASWDGRPMYPQ-LBPRGKRZSA-N 1 2 261.300 1.000 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccnc(F)c1 ZINC001085510775 926093836 /nfs/dbraw/zinc/09/38/36/926093836.db2.gz DCRASWDGRPMYPQ-LBPRGKRZSA-N 1 2 261.300 1.000 20 30 CDEDLO C=CCN1CC2(C[NH+](C[C@@H](O)CCCCC)C2)OCC1=O ZINC001273875885 926189024 /nfs/dbraw/zinc/18/90/24/926189024.db2.gz PKXBHNLRILCTRH-AWEZNQCLSA-N 1 2 296.411 1.027 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(F)c1C ZINC001085608447 926214793 /nfs/dbraw/zinc/21/47/93/926214793.db2.gz RFZVOMQCICSHFS-ZDUSSCGKSA-N 1 2 274.339 1.914 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(F)c1C ZINC001085608447 926214800 /nfs/dbraw/zinc/21/48/00/926214800.db2.gz RFZVOMQCICSHFS-ZDUSSCGKSA-N 1 2 274.339 1.914 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ocnc1CC ZINC001085802432 926406624 /nfs/dbraw/zinc/40/66/24/926406624.db2.gz UGDNDIQPGXQJHH-LLVKDONJSA-N 1 2 261.325 1.017 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ocnc1CC ZINC001085802432 926406630 /nfs/dbraw/zinc/40/66/30/926406630.db2.gz UGDNDIQPGXQJHH-LLVKDONJSA-N 1 2 261.325 1.017 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(OC)o1 ZINC001085892037 926485920 /nfs/dbraw/zinc/48/59/20/926485920.db2.gz ORTFHGSJTQITNN-LBPRGKRZSA-N 1 2 276.336 1.458 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(OC)o1 ZINC001085892037 926485924 /nfs/dbraw/zinc/48/59/24/926485924.db2.gz ORTFHGSJTQITNN-LBPRGKRZSA-N 1 2 276.336 1.458 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(CF)CCC2)C1 ZINC001108225644 926531609 /nfs/dbraw/zinc/53/16/09/926531609.db2.gz XKKPRBUWMBLSTJ-HNNXBMFYSA-N 1 2 296.386 1.357 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(CF)CCC2)C1 ZINC001108225644 926531611 /nfs/dbraw/zinc/53/16/11/926531611.db2.gz XKKPRBUWMBLSTJ-HNNXBMFYSA-N 1 2 296.386 1.357 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](CO)C2)c1F ZINC001143169968 937127954 /nfs/dbraw/zinc/12/79/54/937127954.db2.gz ASVMTWWUIZQWFS-VIFPVBQESA-N 1 2 252.264 1.651 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](CO)C2)c1F ZINC001143169968 937127955 /nfs/dbraw/zinc/12/79/55/937127955.db2.gz ASVMTWWUIZQWFS-VIFPVBQESA-N 1 2 252.264 1.651 20 30 CDEDLO C[C@@H]1C[C@@H](N2CC[NH2+]C[C@H]2C#N)CN1C(=O)OC(C)(C)C ZINC001168852223 927492917 /nfs/dbraw/zinc/49/29/17/927492917.db2.gz WVLNFDBLABMYNE-JHJVBQTASA-N 1 2 294.399 1.182 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3c[nH]nc3c2)CC1 ZINC001149350569 937171852 /nfs/dbraw/zinc/17/18/52/937171852.db2.gz WHMPQQHRXLFDIT-UHFFFAOYSA-N 1 2 270.336 1.507 20 30 CDEDLO C=CC[N@@H+]1CCCO[C@@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001149744501 937203088 /nfs/dbraw/zinc/20/30/88/937203088.db2.gz BGJMRIDWLZTHMN-VHSXEESVSA-N 1 2 298.280 1.280 20 30 CDEDLO C=CC[N@H+]1CCCO[C@@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001149744501 937203091 /nfs/dbraw/zinc/20/30/91/937203091.db2.gz BGJMRIDWLZTHMN-VHSXEESVSA-N 1 2 298.280 1.280 20 30 CDEDLO C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001149744501 937203093 /nfs/dbraw/zinc/20/30/93/937203093.db2.gz BGJMRIDWLZTHMN-VHSXEESVSA-N 1 2 298.280 1.280 20 30 CDEDLO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001149744501 937203096 /nfs/dbraw/zinc/20/30/96/937203096.db2.gz BGJMRIDWLZTHMN-VHSXEESVSA-N 1 2 298.280 1.280 20 30 CDEDLO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](C#N)C2)CO1 ZINC001169402500 927988400 /nfs/dbraw/zinc/98/84/00/927988400.db2.gz DEAQMCIOQFWTLJ-XQQFMLRXSA-N 1 2 266.341 1.333 20 30 CDEDLO CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](C#N)C2)CO1 ZINC001169402500 927988406 /nfs/dbraw/zinc/98/84/06/927988406.db2.gz DEAQMCIOQFWTLJ-XQQFMLRXSA-N 1 2 266.341 1.333 20 30 CDEDLO CCOC(=O)c1cc(N2CC[NH2+]C[C@@H]2C#N)ncc1Cl ZINC001156321008 928046820 /nfs/dbraw/zinc/04/68/20/928046820.db2.gz LWSIAXFBFBIPIL-VIFPVBQESA-N 1 2 294.742 1.213 20 30 CDEDLO Cc1nc(N2CC[C@](C)(NC(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001110736044 928755276 /nfs/dbraw/zinc/75/52/76/928755276.db2.gz QQKNGXNWPPWVDL-HZMBPMFUSA-N 1 2 273.340 1.030 20 30 CDEDLO CN(CCCNc1ccc(C#N)nc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001109506317 928955554 /nfs/dbraw/zinc/95/55/54/928955554.db2.gz DOLSPDPFCDVFMX-UHFFFAOYSA-N 1 2 298.350 1.179 20 30 CDEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc(OCC(N)=O)cc2)C1 ZINC000784449802 937301195 /nfs/dbraw/zinc/30/11/95/937301195.db2.gz HDAHREXTNBRVPC-MRXNPFEDSA-N 1 2 287.363 1.676 20 30 CDEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(OCC(N)=O)cc2)C1 ZINC000784449802 937301199 /nfs/dbraw/zinc/30/11/99/937301199.db2.gz HDAHREXTNBRVPC-MRXNPFEDSA-N 1 2 287.363 1.676 20 30 CDEDLO C#C[C@H]([NH2+]Cc1ncnn1-c1ccccc1)[C@H]1CCCO1 ZINC000799166198 937379911 /nfs/dbraw/zinc/37/99/11/937379911.db2.gz BNXLMDRRGKGUIM-LSDHHAIUSA-N 1 2 282.347 1.538 20 30 CDEDLO C=C[C@@H]1C[C@@]1(Nc1ccn2cc(N)[nH+]c2c1)C(=O)OCC ZINC001170919802 930756165 /nfs/dbraw/zinc/75/61/65/930756165.db2.gz WSRGPRSBEAMWKS-BMIGLBTASA-N 1 2 286.335 1.836 20 30 CDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886344614 930867186 /nfs/dbraw/zinc/86/71/86/930867186.db2.gz IGKLHEITQLBOLB-MJBXVCDLSA-N 1 2 256.305 1.724 20 30 CDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886344614 930867194 /nfs/dbraw/zinc/86/71/94/930867194.db2.gz IGKLHEITQLBOLB-MJBXVCDLSA-N 1 2 256.305 1.724 20 30 CDEDLO C=CCN1C[C@]2(CCN(c3cccc[nH+]3)C2)OCC1=O ZINC001274739143 931563743 /nfs/dbraw/zinc/56/37/43/931563743.db2.gz AGQUBBWFBJRFNG-OAHLLOKOSA-N 1 2 273.336 1.075 20 30 CDEDLO CC(=O)N1CCC2(C[NH+](Cc3cncc(C#N)c3)C2)C1 ZINC001144079828 931651156 /nfs/dbraw/zinc/65/11/56/931651156.db2.gz KIVJLQCQSUMUQZ-UHFFFAOYSA-N 1 2 270.336 1.007 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CC[C@](O)(CF)[C@@H](F)C2)cc1 ZINC001144568388 931906141 /nfs/dbraw/zinc/90/61/41/931906141.db2.gz SYOSNPGOSJOVNZ-GJZGRUSLSA-N 1 2 265.303 1.912 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CC[C@](O)(CF)[C@@H](F)C2)cc1 ZINC001144568388 931906143 /nfs/dbraw/zinc/90/61/43/931906143.db2.gz SYOSNPGOSJOVNZ-GJZGRUSLSA-N 1 2 265.303 1.912 20 30 CDEDLO Cc1nc(N[C@H]2C[C@@H](CNC(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001091324532 932102730 /nfs/dbraw/zinc/10/27/30/932102730.db2.gz YEXCWXCMLPKIJJ-JLLWLGSASA-N 1 2 273.340 1.251 20 30 CDEDLO Cc1nc(N[C@H]2C[C@H](CNC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001091455626 932194296 /nfs/dbraw/zinc/19/42/96/932194296.db2.gz OXWIBPQIIOYFLE-HDJSIYSDSA-N 1 2 284.363 1.505 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2ncc(CC)o2)cn1 ZINC001148382845 932702595 /nfs/dbraw/zinc/70/25/95/932702595.db2.gz HOHGVJMBYRFGNB-UHFFFAOYSA-N 1 2 298.346 1.133 20 30 CDEDLO C[C@H](C#N)c1cccc(C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)c1 ZINC001148621810 932762340 /nfs/dbraw/zinc/76/23/40/932762340.db2.gz GGPATOQTKOLUJK-IAQYHMDHSA-N 1 2 298.346 1.370 20 30 CDEDLO C[C@H](C#N)c1cccc(C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)c1 ZINC001148621810 932762345 /nfs/dbraw/zinc/76/23/45/932762345.db2.gz GGPATOQTKOLUJK-IAQYHMDHSA-N 1 2 298.346 1.370 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)CC)C1 ZINC001148951359 932808484 /nfs/dbraw/zinc/80/84/84/932808484.db2.gz QEUAMIKIYCMTQK-NSHDSACASA-N 1 2 260.765 1.356 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)CC)C1 ZINC001148951359 932808490 /nfs/dbraw/zinc/80/84/90/932808490.db2.gz QEUAMIKIYCMTQK-NSHDSACASA-N 1 2 260.765 1.356 20 30 CDEDLO CC(C)Cc1nc(C[NH2+]CCCNC(=O)[C@H](C)C#N)no1 ZINC001155860623 937682830 /nfs/dbraw/zinc/68/28/30/937682830.db2.gz PVEXWVNCHJCXMY-LLVKDONJSA-N 1 2 293.371 1.024 20 30 CDEDLO C=CC[C@H]([NH2+]C[C@H](OC)[C@@H]1CCOC1)C(=O)OCC ZINC001119245042 937702959 /nfs/dbraw/zinc/70/29/59/937702959.db2.gz MHWRYBGKIXWTFT-AGIUHOORSA-N 1 2 271.357 1.135 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cnc(C)o2)C1 ZINC001007487417 935384335 /nfs/dbraw/zinc/38/43/35/935384335.db2.gz HZURUWYWVUWZBV-GFCCVEGCSA-N 1 2 297.786 1.859 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cnc(C)o2)C1 ZINC001007487417 935384340 /nfs/dbraw/zinc/38/43/40/935384340.db2.gz HZURUWYWVUWZBV-GFCCVEGCSA-N 1 2 297.786 1.859 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(=C)Cl)C1 ZINC001008557665 935407099 /nfs/dbraw/zinc/40/70/99/935407099.db2.gz GCTVQWXWCTWVEF-MCIONIFRSA-N 1 2 298.814 1.911 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(=C)Cl)C1 ZINC001008557665 935407103 /nfs/dbraw/zinc/40/71/03/935407103.db2.gz GCTVQWXWCTWVEF-MCIONIFRSA-N 1 2 298.814 1.911 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(C2CCC2)c1 ZINC001038241367 935738881 /nfs/dbraw/zinc/73/88/81/935738881.db2.gz OOMBGEDVZNTADB-OAHLLOKOSA-N 1 2 286.379 1.436 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(C2CCC2)c1 ZINC001038241367 935738883 /nfs/dbraw/zinc/73/88/83/935738883.db2.gz OOMBGEDVZNTADB-OAHLLOKOSA-N 1 2 286.379 1.436 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cncc(CC)c2)C1 ZINC001043356132 935837902 /nfs/dbraw/zinc/83/79/02/935837902.db2.gz WYOIPPHYWPBKMA-UHFFFAOYSA-N 1 2 271.364 1.424 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccnc2OCC)C1 ZINC001044250887 935854967 /nfs/dbraw/zinc/85/49/67/935854967.db2.gz SXWZNNRZZQGABL-UHFFFAOYSA-N 1 2 289.379 1.813 20 30 CDEDLO Cc1cc(N2CC[C@@H](NC(=O)[C@@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001096338418 936044935 /nfs/dbraw/zinc/04/49/35/936044935.db2.gz KNKSJXZVXKZVKW-GXFFZTMASA-N 1 2 299.378 1.517 20 30 CDEDLO C=CCOCC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@H]1C ZINC001123012678 936103600 /nfs/dbraw/zinc/10/36/00/936103600.db2.gz NTOFRGWLXZGDIB-DGCLKSJQSA-N 1 2 290.367 1.389 20 30 CDEDLO N#Cc1ccc(C(F)(F)N2CC[NH2+]C[C@@H]2C#N)nc1Cl ZINC001156320834 938351263 /nfs/dbraw/zinc/35/12/63/938351263.db2.gz FPLWFSFGHDXBHR-VIFPVBQESA-N 1 2 297.696 1.453 20 30 CDEDLO C=CC(C)(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC001157037724 938448290 /nfs/dbraw/zinc/44/82/90/938448290.db2.gz WPGQWNXOQKQFMI-LLVKDONJSA-N 1 2 279.340 1.212 20 30 CDEDLO C=CC(C)(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC001157037724 938448292 /nfs/dbraw/zinc/44/82/92/938448292.db2.gz WPGQWNXOQKQFMI-LLVKDONJSA-N 1 2 279.340 1.212 20 30 CDEDLO CN1CCN(C(=[NH2+])Nc2nccc(Cl)c2C#N)CC1 ZINC001157915124 938562223 /nfs/dbraw/zinc/56/22/23/938562223.db2.gz QNFVAABLVNZMTA-UHFFFAOYSA-N 1 2 278.747 1.201 20 30 CDEDLO N#Cc1cncc(NCCc2cn3ccccc3[nH+]2)n1 ZINC001158142274 938587338 /nfs/dbraw/zinc/58/73/38/938587338.db2.gz KSHVNSMKBAJGIS-UHFFFAOYSA-N 1 2 264.292 1.651 20 30 CDEDLO N#CCc1cc[nH+]c(N[C@@H]2C(=O)NCc3ccccc32)c1 ZINC001158899967 938676995 /nfs/dbraw/zinc/67/69/95/938676995.db2.gz KTOUYRNQDRKZPR-HNNXBMFYSA-N 1 2 278.315 1.931 20 30 CDEDLO N#Cc1cc(F)cnc1N[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC001160724251 938819773 /nfs/dbraw/zinc/81/97/73/938819773.db2.gz PETSYDZKTQVDGD-KBPBESRZSA-N 1 2 290.342 1.758 20 30 CDEDLO Cc1c[nH+]c(Nc2ccc([N+](=O)[O-])c(N)c2C#N)[nH]1 ZINC001162781420 939137079 /nfs/dbraw/zinc/13/70/79/939137079.db2.gz RNNLPSVMBIQULH-UHFFFAOYSA-N 1 2 258.241 1.824 20 30 CDEDLO Cc1nc(Cl)cc(C(F)(F)N2CC[NH2+]C[C@H]2C#N)n1 ZINC001165180294 939520780 /nfs/dbraw/zinc/52/07/80/939520780.db2.gz SJZYZWRMYWHMBR-MRVPVSSYSA-N 1 2 287.701 1.285 20 30 CDEDLO CCOC(=O)[C@@H]1CN(c2[nH+]c(C)ccc2CC#N)CCO1 ZINC001166829093 939642622 /nfs/dbraw/zinc/64/26/22/939642622.db2.gz WHSDUTRCAJANFM-ZDUSSCGKSA-N 1 2 289.335 1.224 20 30 CDEDLO CC1(C)C[N@@H+](C2CN(Cc3cccc(C#N)c3)C2)CCO1 ZINC001203762204 939702832 /nfs/dbraw/zinc/70/28/32/939702832.db2.gz ALGWUEOSBSBOCN-UHFFFAOYSA-N 1 2 285.391 1.853 20 30 CDEDLO CC1(C)C[N@H+](C2CN(Cc3cccc(C#N)c3)C2)CCO1 ZINC001203762204 939702833 /nfs/dbraw/zinc/70/28/33/939702833.db2.gz ALGWUEOSBSBOCN-UHFFFAOYSA-N 1 2 285.391 1.853 20 30 CDEDLO CC1(C)CN(C2C[NH+](Cc3cccc(C#N)c3)C2)CCO1 ZINC001203762204 939702835 /nfs/dbraw/zinc/70/28/35/939702835.db2.gz ALGWUEOSBSBOCN-UHFFFAOYSA-N 1 2 285.391 1.853 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)OCC)C1 ZINC001206377693 940028693 /nfs/dbraw/zinc/02/86/93/940028693.db2.gz BTSBVWZDSVVRMN-RAIGVLPGSA-N 1 2 288.819 1.991 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)OCC)C1 ZINC001206377693 940028697 /nfs/dbraw/zinc/02/86/97/940028697.db2.gz BTSBVWZDSVVRMN-RAIGVLPGSA-N 1 2 288.819 1.991 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC(C)(C)C)C1 ZINC001206887179 940107601 /nfs/dbraw/zinc/10/76/01/940107601.db2.gz ZYJCGRQUBJQYNA-ZYHUDNBSSA-N 1 2 288.819 1.991 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC(C)(C)C)C1 ZINC001206887179 940107603 /nfs/dbraw/zinc/10/76/03/940107603.db2.gz ZYJCGRQUBJQYNA-ZYHUDNBSSA-N 1 2 288.819 1.991 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)on2)C[C@H]1C ZINC001206912477 940111380 /nfs/dbraw/zinc/11/13/80/940111380.db2.gz NRRHGIHBLLEQHJ-IUODEOHRSA-N 1 2 289.379 1.723 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)on2)C[C@H]1C ZINC001206912477 940111382 /nfs/dbraw/zinc/11/13/82/940111382.db2.gz NRRHGIHBLLEQHJ-IUODEOHRSA-N 1 2 289.379 1.723 20 30 CDEDLO CC(C)C#CC(=O)N1CCC[C@H]([NH2+]Cc2csnn2)C1 ZINC001207996005 940276301 /nfs/dbraw/zinc/27/63/01/940276301.db2.gz WLTPDQXEXIAHIC-LBPRGKRZSA-N 1 2 292.408 1.278 20 30 CDEDLO C=CCN(CC[N@@H+]1CCO[C@@H](C)C1)C(=O)OCC ZINC001209016028 940423557 /nfs/dbraw/zinc/42/35/57/940423557.db2.gz DHDYCVYTCLEXJZ-LBPRGKRZSA-N 1 2 256.346 1.352 20 30 CDEDLO C=CCN(CC[N@H+]1CCO[C@@H](C)C1)C(=O)OCC ZINC001209016028 940423559 /nfs/dbraw/zinc/42/35/59/940423559.db2.gz DHDYCVYTCLEXJZ-LBPRGKRZSA-N 1 2 256.346 1.352 20 30 CDEDLO N#Cc1ncccc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001210141503 940666031 /nfs/dbraw/zinc/66/60/31/940666031.db2.gz RLGJAAHVPXVOEX-UHFFFAOYSA-N 1 2 281.319 1.928 20 30 CDEDLO C[C@H](OCC[NH+]1CCOCC1)c1ccccc1C#N ZINC001210224615 940672255 /nfs/dbraw/zinc/67/22/55/940672255.db2.gz CDZQTDSQTGGVJA-ZDUSSCGKSA-N 1 2 260.337 1.968 20 30 CDEDLO CN1CCO[C@@]2(CCC[N@H+](Cc3cc(C#N)ccn3)C2)C1 ZINC001276687069 940699186 /nfs/dbraw/zinc/69/91/86/940699186.db2.gz LJVVGMRQLXBDNP-INIZCTEOSA-N 1 2 286.379 1.250 20 30 CDEDLO CN1CCO[C@@]2(CCC[N@@H+](Cc3cc(C#N)ccn3)C2)C1 ZINC001276687069 940699187 /nfs/dbraw/zinc/69/91/87/940699187.db2.gz LJVVGMRQLXBDNP-INIZCTEOSA-N 1 2 286.379 1.250 20 30 CDEDLO C#Cc1cc(Nc2ccc(F)c(CO)c2F)cc[nH+]1 ZINC001215649115 940900902 /nfs/dbraw/zinc/90/09/02/940900902.db2.gz WUCKOCKTLJPXNO-UHFFFAOYSA-N 1 2 260.243 1.999 20 30 CDEDLO COC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc([C@@H](C)C#N)cc1 ZINC001218871304 941282275 /nfs/dbraw/zinc/28/22/75/941282275.db2.gz KTZZDQYESJVMFQ-CABZTGNLSA-N 1 2 275.308 1.143 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cncc(Cl)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225289477 941839002 /nfs/dbraw/zinc/83/90/02/941839002.db2.gz JXWROZWJJYXWCE-DERRMCRCSA-N 1 2 266.728 1.726 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cncc(Cl)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225289477 941839006 /nfs/dbraw/zinc/83/90/06/941839006.db2.gz JXWROZWJJYXWCE-DERRMCRCSA-N 1 2 266.728 1.726 20 30 CDEDLO Cc1cnc(C[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)o1 ZINC001226617274 942036124 /nfs/dbraw/zinc/03/61/24/942036124.db2.gz CWOGDWANYGZYMT-JTQLQIEISA-N 1 2 276.340 1.223 20 30 CDEDLO CC[NH+]1CC(Oc2ccc(Cl)cc2C(=O)NO)C1 ZINC001227175435 942145044 /nfs/dbraw/zinc/14/50/44/942145044.db2.gz RRIMFQNHEPDVCK-UHFFFAOYSA-N 1 2 270.716 1.542 20 30 CDEDLO COc1c(Cl)cnc(OC[C@@H]2C[N@H+](C)CCO2)c1C#N ZINC001227557707 942188515 /nfs/dbraw/zinc/18/85/15/942188515.db2.gz RGGKBOJLGKWBPR-VIFPVBQESA-N 1 2 297.742 1.325 20 30 CDEDLO COc1c(Cl)cnc(OC[C@@H]2C[N@@H+](C)CCO2)c1C#N ZINC001227557707 942188518 /nfs/dbraw/zinc/18/85/18/942188518.db2.gz RGGKBOJLGKWBPR-VIFPVBQESA-N 1 2 297.742 1.325 20 30 CDEDLO CCCCCCC[N@@H+]1Cc2ccnn2CC[C@H]1C(N)=O ZINC001277225705 942197455 /nfs/dbraw/zinc/19/74/55/942197455.db2.gz YERQKBYIQLUCEM-AWEZNQCLSA-N 1 2 278.400 1.913 20 30 CDEDLO CCCCCCC[N@H+]1Cc2ccnn2CC[C@H]1C(N)=O ZINC001277225705 942197457 /nfs/dbraw/zinc/19/74/57/942197457.db2.gz YERQKBYIQLUCEM-AWEZNQCLSA-N 1 2 278.400 1.913 20 30 CDEDLO Cc1nc(OC[C@H]2C[N@H+](C)CCO2)c(C#N)c(C)c1Cl ZINC001227826476 942232777 /nfs/dbraw/zinc/23/27/77/942232777.db2.gz NFKCPQNCBHBOOX-LLVKDONJSA-N 1 2 295.770 1.933 20 30 CDEDLO Cc1nc(OC[C@H]2C[N@@H+](C)CCO2)c(C#N)c(C)c1Cl ZINC001227826476 942232780 /nfs/dbraw/zinc/23/27/80/942232780.db2.gz NFKCPQNCBHBOOX-LLVKDONJSA-N 1 2 295.770 1.933 20 30 CDEDLO COc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cn1 ZINC001228058138 942264220 /nfs/dbraw/zinc/26/42/20/942264220.db2.gz PGJNFSQIJIUXRY-GQTXGERZSA-N 1 2 262.309 1.081 20 30 CDEDLO COc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cn1 ZINC001228058138 942264223 /nfs/dbraw/zinc/26/42/23/942264223.db2.gz PGJNFSQIJIUXRY-GQTXGERZSA-N 1 2 262.309 1.081 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C=C(C)C ZINC001230681337 942673832 /nfs/dbraw/zinc/67/38/32/942673832.db2.gz DTUYSPULHMLGIX-ZIAGYGMSSA-N 1 2 293.411 1.176 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C=C(C)C ZINC001230681337 942673833 /nfs/dbraw/zinc/67/38/33/942673833.db2.gz DTUYSPULHMLGIX-ZIAGYGMSSA-N 1 2 293.411 1.176 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC(C)=O ZINC001230769694 942691074 /nfs/dbraw/zinc/69/10/74/942691074.db2.gz CBEUIBINBADDNN-CQSZACIVSA-N 1 2 264.369 1.302 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCCC(C)=O ZINC001230769694 942691076 /nfs/dbraw/zinc/69/10/76/942691076.db2.gz CBEUIBINBADDNN-CQSZACIVSA-N 1 2 264.369 1.302 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001231123753 942792230 /nfs/dbraw/zinc/79/22/30/942792230.db2.gz WEIIARVDTXFRBG-AWEZNQCLSA-N 1 2 293.411 1.106 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001231123753 942792233 /nfs/dbraw/zinc/79/22/33/942792233.db2.gz WEIIARVDTXFRBG-AWEZNQCLSA-N 1 2 293.411 1.106 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231854522 943031350 /nfs/dbraw/zinc/03/13/50/943031350.db2.gz IFJVPDPSZQCZNP-UHFFFAOYSA-N 1 2 287.407 1.512 20 30 CDEDLO CC(=O)N1CC[N@@H+](Cc2cc(C#N)ccc2O)C[C@@H]1C ZINC001232677787 943359249 /nfs/dbraw/zinc/35/92/49/943359249.db2.gz JVJSLNZDZYVOOW-NSHDSACASA-N 1 2 273.336 1.316 20 30 CDEDLO CC(=O)N1CC[N@H+](Cc2cc(C#N)ccc2O)C[C@@H]1C ZINC001232677787 943359251 /nfs/dbraw/zinc/35/92/51/943359251.db2.gz JVJSLNZDZYVOOW-NSHDSACASA-N 1 2 273.336 1.316 20 30 CDEDLO CNC(=O)NC1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232681214 943363252 /nfs/dbraw/zinc/36/32/52/943363252.db2.gz NBIGDRUHCXDJKV-UHFFFAOYSA-N 1 2 288.351 1.157 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cn3c(cccc3Cl)n2)CC1 ZINC001233599521 943624337 /nfs/dbraw/zinc/62/43/37/943624337.db2.gz LLJMHPAZHSGHFT-UHFFFAOYSA-N 1 2 288.782 1.739 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(C)no1 ZINC001233958981 943700951 /nfs/dbraw/zinc/70/09/51/943700951.db2.gz WWJSTXHVUHGCBL-CQSZACIVSA-N 1 2 289.379 1.819 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(C)no1 ZINC001233958981 943700953 /nfs/dbraw/zinc/70/09/53/943700953.db2.gz WWJSTXHVUHGCBL-CQSZACIVSA-N 1 2 289.379 1.819 20 30 CDEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cccnc1 ZINC001234121294 943746399 /nfs/dbraw/zinc/74/63/99/943746399.db2.gz YSSDJJIDTQNIQX-INIZCTEOSA-N 1 2 285.391 1.774 20 30 CDEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cccnc1 ZINC001234121294 943746404 /nfs/dbraw/zinc/74/64/04/943746404.db2.gz YSSDJJIDTQNIQX-INIZCTEOSA-N 1 2 285.391 1.774 20 30 CDEDLO CC(C)[N@@H+]1CCC[C@H]1C(=O)[C@@H](C#N)c1nccn1C ZINC001263331995 943833434 /nfs/dbraw/zinc/83/34/34/943833434.db2.gz DJBIDTVYSNIEAE-NEPJUHHUSA-N 1 2 260.341 1.469 20 30 CDEDLO CC(C)[N@H+]1CCC[C@H]1C(=O)[C@@H](C#N)c1nccn1C ZINC001263331995 943833443 /nfs/dbraw/zinc/83/34/43/943833443.db2.gz DJBIDTVYSNIEAE-NEPJUHHUSA-N 1 2 260.341 1.469 20 30 CDEDLO C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001234425353 943834794 /nfs/dbraw/zinc/83/47/94/943834794.db2.gz MJSCFQJXSUTCOT-VHSXEESVSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001234425353 943834796 /nfs/dbraw/zinc/83/47/96/943834796.db2.gz MJSCFQJXSUTCOT-VHSXEESVSA-N 1 2 280.265 1.443 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Oc1nc2cc(C#N)ccc2o1 ZINC001234457427 943846372 /nfs/dbraw/zinc/84/63/72/943846372.db2.gz VQVWWLSVVJQHHS-NSHDSACASA-N 1 2 287.319 1.799 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001263726964 943952739 /nfs/dbraw/zinc/95/27/39/943952739.db2.gz YUKOAAYGXPUSOL-UONOGXRCSA-N 1 2 282.432 1.276 20 30 CDEDLO COc1ncc(F)cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001234885764 943966607 /nfs/dbraw/zinc/96/66/07/943966607.db2.gz SKNXIJUUIBHMQX-NJFCNUMCSA-N 1 2 280.299 1.221 20 30 CDEDLO COc1ncc(F)cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001234885764 943966614 /nfs/dbraw/zinc/96/66/14/943966614.db2.gz SKNXIJUUIBHMQX-NJFCNUMCSA-N 1 2 280.299 1.221 20 30 CDEDLO CC1=CCC=C[C@@H]1C(=O)N1C[C@@H]2CC[N@H+](CCC#N)[C@@H]2C1 ZINC001277936697 944117856 /nfs/dbraw/zinc/11/78/56/944117856.db2.gz OCUHZHNXWYNDCI-HRCADAONSA-N 1 2 285.391 1.955 20 30 CDEDLO CC1=CCC=C[C@@H]1C(=O)N1C[C@@H]2CC[N@@H+](CCC#N)[C@@H]2C1 ZINC001277936697 944117860 /nfs/dbraw/zinc/11/78/60/944117860.db2.gz OCUHZHNXWYNDCI-HRCADAONSA-N 1 2 285.391 1.955 20 30 CDEDLO CN(C)C(=O)C1C[NH+](Cc2ccc(C#N)cc2Cl)C1 ZINC001238085399 945054695 /nfs/dbraw/zinc/05/46/95/945054695.db2.gz FCVFROSBZHJMDG-UHFFFAOYSA-N 1 2 277.755 1.732 20 30 CDEDLO COc1ncnc2c1CC[N@@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC001254669280 947585534 /nfs/dbraw/zinc/58/55/34/947585534.db2.gz QHJZLNMDVIUYQK-GHMZBOCLSA-N 1 2 258.325 1.536 20 30 CDEDLO COc1ncnc2c1CC[N@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC001254669280 947585546 /nfs/dbraw/zinc/58/55/46/947585546.db2.gz QHJZLNMDVIUYQK-GHMZBOCLSA-N 1 2 258.325 1.536 20 30 CDEDLO N#C[C@@H]1CN([C@H]2CC[N@H+](Cc3ccccc3)C2)CCC1=O ZINC001255117259 947741785 /nfs/dbraw/zinc/74/17/85/947741785.db2.gz PJPBBRAELYWGGR-CVEARBPZSA-N 1 2 283.375 1.675 20 30 CDEDLO N#C[C@@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1=O ZINC001255117259 947741793 /nfs/dbraw/zinc/74/17/93/947741793.db2.gz PJPBBRAELYWGGR-CVEARBPZSA-N 1 2 283.375 1.675 20 30 CDEDLO C=CC[C@H]([NH2+][C@@H]1CC[C@H](C(=O)OCC)C1)C(=O)OC ZINC001257030562 948487134 /nfs/dbraw/zinc/48/71/34/948487134.db2.gz VAMXSWILGLDHGM-TUAOUCFPSA-N 1 2 269.341 1.426 20 30 CDEDLO N#Cc1cccc(-c2noc([C@@H](CO)n3cc[nH+]c3)n2)c1 ZINC001247260358 948609294 /nfs/dbraw/zinc/60/92/94/948609294.db2.gz DJIJTBRNFUVAPU-GFCCVEGCSA-N 1 2 281.275 1.386 20 30 CDEDLO C=CCCCNC(=S)NCC[N@H+]1CCOC[C@H]1C ZINC001247777512 948769340 /nfs/dbraw/zinc/76/93/40/948769340.db2.gz GUBFXOUGSUPSKC-GFCCVEGCSA-N 1 2 271.430 1.137 20 30 CDEDLO C=CCCCNC(=S)NCC[N@@H+]1CCOC[C@H]1C ZINC001247777512 948769347 /nfs/dbraw/zinc/76/93/47/948769347.db2.gz GUBFXOUGSUPSKC-GFCCVEGCSA-N 1 2 271.430 1.137 20 30 CDEDLO C=CC[C@@](C)([NH2+][C@@H](C)CCC(=O)OCC)C(=O)OC ZINC001258488555 948889184 /nfs/dbraw/zinc/88/91/84/948889184.db2.gz XHNWYAARNKRWAR-SMDDNHRTSA-N 1 2 271.357 1.816 20 30 CDEDLO CCOC(=O)CC[C@H](C)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001258492486 948892614 /nfs/dbraw/zinc/89/26/14/948892614.db2.gz TYHZKKQFEDSZOD-JQWIXIFHSA-N 1 2 283.393 1.992 20 30 CDEDLO CCOC(=O)CC[C@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258492486 948892624 /nfs/dbraw/zinc/89/26/24/948892624.db2.gz TYHZKKQFEDSZOD-JQWIXIFHSA-N 1 2 283.393 1.992 20 30 CDEDLO CCOC(=O)CC[C@H](C)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258492486 948892640 /nfs/dbraw/zinc/89/26/40/948892640.db2.gz TYHZKKQFEDSZOD-JQWIXIFHSA-N 1 2 283.393 1.992 20 30 CDEDLO CCOC(=O)CC[C@H](C)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258492486 948892656 /nfs/dbraw/zinc/89/26/56/948892656.db2.gz TYHZKKQFEDSZOD-JQWIXIFHSA-N 1 2 283.393 1.992 20 30 CDEDLO CC[N@H+](Cc1cnn2ccc(C#N)cc12)C1COC1 ZINC001249114049 949396339 /nfs/dbraw/zinc/39/63/39/949396339.db2.gz SCRJUQAZAFKMMT-UHFFFAOYSA-N 1 2 256.309 1.427 20 30 CDEDLO CC[N@@H+](Cc1cnn2ccc(C#N)cc12)C1COC1 ZINC001249114049 949396362 /nfs/dbraw/zinc/39/63/62/949396362.db2.gz SCRJUQAZAFKMMT-UHFFFAOYSA-N 1 2 256.309 1.427 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(F)cc2F)C1 ZINC001250858517 950433823 /nfs/dbraw/zinc/43/38/23/950433823.db2.gz WVIHCJVBEWOEBL-WCQYABFASA-N 1 2 296.317 1.940 20 30 CDEDLO N#C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(F)cc2F)C1 ZINC001250858517 950433835 /nfs/dbraw/zinc/43/38/35/950433835.db2.gz WVIHCJVBEWOEBL-WCQYABFASA-N 1 2 296.317 1.940 20 30 CDEDLO C#CCOC[C@H](O)C[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC001251858157 950883328 /nfs/dbraw/zinc/88/33/28/950883328.db2.gz SEQUOARYINOGBL-QGZVFWFLSA-N 1 2 299.374 1.423 20 30 CDEDLO C#CCOC[C@H](O)C[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC001251858157 950883343 /nfs/dbraw/zinc/88/33/43/950883343.db2.gz SEQUOARYINOGBL-QGZVFWFLSA-N 1 2 299.374 1.423 20 30 CDEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1CC(C)(C)O ZINC001252349378 951198534 /nfs/dbraw/zinc/19/85/34/951198534.db2.gz DUPIDBPCYSMVHP-CYBMUJFWSA-N 1 2 294.399 1.171 20 30 CDEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1CC(C)(C)O ZINC001252349378 951198543 /nfs/dbraw/zinc/19/85/43/951198543.db2.gz DUPIDBPCYSMVHP-CYBMUJFWSA-N 1 2 294.399 1.171 20 30 CDEDLO C=C[C@@](C)(O)C[NH2+]Cc1noc(C(F)(F)F)n1 ZINC001252574009 951466321 /nfs/dbraw/zinc/46/63/21/951466321.db2.gz KHUYKPGSQNZNIJ-MRVPVSSYSA-N 1 2 251.208 1.115 20 30 CDEDLO C=C[C@@H](O)CN1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001253578536 951969454 /nfs/dbraw/zinc/96/94/54/951969454.db2.gz CZXXOFFWESGCKQ-CQSZACIVSA-N 1 2 286.379 1.227 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cccnc1OC ZINC001493010405 971923554 /nfs/dbraw/zinc/92/35/54/971923554.db2.gz TWYOWAPQTHSPHH-UHFFFAOYSA-N 1 2 297.786 1.894 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cccnc1OC ZINC001493010405 971923560 /nfs/dbraw/zinc/92/35/60/971923560.db2.gz TWYOWAPQTHSPHH-UHFFFAOYSA-N 1 2 297.786 1.894 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)c1ccc(C#N)cc1F ZINC001363567349 953465876 /nfs/dbraw/zinc/46/58/76/953465876.db2.gz FHPZOASMAUVUCQ-UHFFFAOYSA-N 1 2 272.283 1.403 20 30 CDEDLO C#CC[N@H+](CC1CC1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC001324654618 953500828 /nfs/dbraw/zinc/50/08/28/953500828.db2.gz OTWUCWCUEOBJEJ-UHFFFAOYSA-N 1 2 281.359 1.511 20 30 CDEDLO C#CC[N@@H+](CC1CC1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC001324654618 953500835 /nfs/dbraw/zinc/50/08/35/953500835.db2.gz OTWUCWCUEOBJEJ-UHFFFAOYSA-N 1 2 281.359 1.511 20 30 CDEDLO N#Cc1ccc(F)c(NC(=O)N2CCn3c[nH+]cc3C2)c1 ZINC001364369233 954511544 /nfs/dbraw/zinc/51/15/44/954511544.db2.gz BOODTCUBCQSQFC-UHFFFAOYSA-N 1 2 285.282 1.942 20 30 CDEDLO C=C(CC)CNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC001327757028 955029498 /nfs/dbraw/zinc/02/94/98/955029498.db2.gz AQEWNGJUFDIDLP-ZDUSSCGKSA-N 1 2 290.367 1.129 20 30 CDEDLO CCOC(=O)C(CC)(CC)[NH2+]CCC(=O)N(C)CCC#N ZINC001364725139 955097965 /nfs/dbraw/zinc/09/79/65/955097965.db2.gz FXPCAEMKLKDGIS-UHFFFAOYSA-N 1 2 297.399 1.460 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccncc1 ZINC001329374062 955856458 /nfs/dbraw/zinc/85/64/58/955856458.db2.gz ZTSUCYZRTBLHBE-LLVKDONJSA-N 1 2 267.760 1.884 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccncc1 ZINC001329374062 955856470 /nfs/dbraw/zinc/85/64/70/955856470.db2.gz ZTSUCYZRTBLHBE-LLVKDONJSA-N 1 2 267.760 1.884 20 30 CDEDLO N#Cc1ccc(CNC(=O)NCc2ccc[nH+]c2N)c(F)c1 ZINC001365326098 955900406 /nfs/dbraw/zinc/90/04/06/955900406.db2.gz QRBJVZIEFQCCMN-UHFFFAOYSA-N 1 2 299.309 1.674 20 30 CDEDLO N#Cc1cc(NC(=O)NCCCNc2cccc[nH+]2)ccn1 ZINC001311073772 956729605 /nfs/dbraw/zinc/72/96/05/956729605.db2.gz ZPIIZDLVBXCIPH-UHFFFAOYSA-N 1 2 296.334 1.972 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@@](C)(O)C1CC1 ZINC001366530964 956929413 /nfs/dbraw/zinc/92/94/13/956929413.db2.gz YQGYMWHBZAMEHC-CYBMUJFWSA-N 1 2 274.792 1.338 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@@](C)(O)C1CC1 ZINC001366530964 956929421 /nfs/dbraw/zinc/92/94/21/956929421.db2.gz YQGYMWHBZAMEHC-CYBMUJFWSA-N 1 2 274.792 1.338 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1conc1C)C1CC1 ZINC001366751390 957164266 /nfs/dbraw/zinc/16/42/66/957164266.db2.gz MWCOTKCQYPYYEC-UHFFFAOYSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1conc1C)C1CC1 ZINC001366751390 957164273 /nfs/dbraw/zinc/16/42/73/957164273.db2.gz MWCOTKCQYPYYEC-UHFFFAOYSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C[C@H](COC)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001332078898 957426221 /nfs/dbraw/zinc/42/62/21/957426221.db2.gz NGFWOEGIQSHPCM-MFKMUULPSA-N 1 2 278.356 1.107 20 30 CDEDLO C=C[C@H](COC)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001332078898 957426224 /nfs/dbraw/zinc/42/62/24/957426224.db2.gz NGFWOEGIQSHPCM-MFKMUULPSA-N 1 2 278.356 1.107 20 30 CDEDLO N#CC[C@@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001335556490 959888432 /nfs/dbraw/zinc/88/84/32/959888432.db2.gz RUJWQLIDBSUVFE-CYBMUJFWSA-N 1 2 261.281 1.227 20 30 CDEDLO N#CC[C@@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001335556490 959888439 /nfs/dbraw/zinc/88/84/39/959888439.db2.gz RUJWQLIDBSUVFE-CYBMUJFWSA-N 1 2 261.281 1.227 20 30 CDEDLO C#CC[N@H+](CC1CC1)Cn1cc(C(=O)OCC)c(C)n1 ZINC001335589671 959913449 /nfs/dbraw/zinc/91/34/49/959913449.db2.gz LHHNELKCJPKGIU-UHFFFAOYSA-N 1 2 275.352 1.671 20 30 CDEDLO C#CC[N@@H+](CC1CC1)Cn1cc(C(=O)OCC)c(C)n1 ZINC001335589671 959913455 /nfs/dbraw/zinc/91/34/55/959913455.db2.gz LHHNELKCJPKGIU-UHFFFAOYSA-N 1 2 275.352 1.671 20 30 CDEDLO C#CC[N@@H+](CC(=O)N1CC(=O)Nc2ccccc21)CC1CC1 ZINC001324382220 961341032 /nfs/dbraw/zinc/34/10/32/961341032.db2.gz FJNMOMKFRADNPR-UHFFFAOYSA-N 1 2 297.358 1.317 20 30 CDEDLO C#CC[N@H+](CC(=O)N1CC(=O)Nc2ccccc21)CC1CC1 ZINC001324382220 961341047 /nfs/dbraw/zinc/34/10/47/961341047.db2.gz FJNMOMKFRADNPR-UHFFFAOYSA-N 1 2 297.358 1.317 20 30 CDEDLO CCCCCCCC[C@@H]([NH3+])C(=O)N1CCc2[nH]nnc2C1 ZINC001341733413 963525151 /nfs/dbraw/zinc/52/51/51/963525151.db2.gz RSOZHMOJFLEITO-GFCCVEGCSA-N 1 2 293.415 1.767 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1cn(C)nc1C ZINC001439329099 963724547 /nfs/dbraw/zinc/72/45/47/963724547.db2.gz FKFDOJSQNBJZGU-NSHDSACASA-N 1 2 298.818 1.460 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1cn(C)nc1C ZINC001439329099 963724549 /nfs/dbraw/zinc/72/45/49/963724549.db2.gz FKFDOJSQNBJZGU-NSHDSACASA-N 1 2 298.818 1.460 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1nn(CC)nc1C ZINC001439415053 963757297 /nfs/dbraw/zinc/75/72/97/963757297.db2.gz GQNMSUSOPMSAKI-JTQLQIEISA-N 1 2 299.806 1.409 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1nn(CC)nc1C ZINC001439415053 963757300 /nfs/dbraw/zinc/75/73/00/963757300.db2.gz GQNMSUSOPMSAKI-JTQLQIEISA-N 1 2 299.806 1.409 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CC1(COC)CC1 ZINC001440919854 964261449 /nfs/dbraw/zinc/26/14/49/964261449.db2.gz PFBCMJVRFFOKRJ-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CC1(COC)CC1 ZINC001440919854 964261462 /nfs/dbraw/zinc/26/14/62/964261462.db2.gz PFBCMJVRFFOKRJ-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO C=CCN(C)c1nnc(Cc2[nH+]ccn2C)n1CC1CC1 ZINC001346084315 964914892 /nfs/dbraw/zinc/91/48/92/964914892.db2.gz OXEMBIDOOUASLB-UHFFFAOYSA-N 1 2 286.383 1.635 20 30 CDEDLO C#CCOCC[N@@H+](C)[C@H](C)c1ncc(Br)cn1 ZINC001346239552 965006350 /nfs/dbraw/zinc/00/63/50/965006350.db2.gz HMBZCJKFXJMFDM-SNVBAGLBSA-N 1 2 298.184 1.882 20 30 CDEDLO C#CCOCC[N@H+](C)[C@H](C)c1ncc(Br)cn1 ZINC001346239552 965006360 /nfs/dbraw/zinc/00/63/60/965006360.db2.gz HMBZCJKFXJMFDM-SNVBAGLBSA-N 1 2 298.184 1.882 20 30 CDEDLO N#CC1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCSCC1 ZINC001347953123 965762003 /nfs/dbraw/zinc/76/20/03/965762003.db2.gz AABAIVRHGDFSLB-LLVKDONJSA-N 1 2 290.392 1.351 20 30 CDEDLO C#CCC[NH2+]C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001200670432 968719635 /nfs/dbraw/zinc/71/96/35/968719635.db2.gz KKZALBKCAODSKO-SNVBAGLBSA-N 1 2 280.265 1.491 20 30 CDEDLO C#CCC[NH2+]C1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001200670432 968719645 /nfs/dbraw/zinc/71/96/45/968719645.db2.gz KKZALBKCAODSKO-SNVBAGLBSA-N 1 2 280.265 1.491 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC001467620205 970082734 /nfs/dbraw/zinc/08/27/34/970082734.db2.gz BRNVNQMCBDLCNS-GFCCVEGCSA-N 1 2 297.362 1.948 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cn1cccn1 ZINC001505869379 975014539 /nfs/dbraw/zinc/01/45/39/975014539.db2.gz SQDDNULKZCCDHS-LLVKDONJSA-N 1 2 270.764 1.072 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cn1cccn1 ZINC001505869379 975014544 /nfs/dbraw/zinc/01/45/44/975014544.db2.gz SQDDNULKZCCDHS-LLVKDONJSA-N 1 2 270.764 1.072 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cc(F)c[nH]1 ZINC001505964880 975062867 /nfs/dbraw/zinc/06/28/67/975062867.db2.gz BRZLCOGIFIWEFL-SECBINFHSA-N 1 2 273.739 1.956 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cc(F)c[nH]1 ZINC001505964880 975062872 /nfs/dbraw/zinc/06/28/72/975062872.db2.gz BRZLCOGIFIWEFL-SECBINFHSA-N 1 2 273.739 1.956 20 30 CDEDLO CCc1nocc1C[N@H+](C)CCN(C)C(=O)[C@H](C)C#N ZINC001379030876 975607247 /nfs/dbraw/zinc/60/72/47/975607247.db2.gz FCBSEYSYJMYSOF-LLVKDONJSA-N 1 2 278.356 1.287 20 30 CDEDLO CCc1nocc1C[N@@H+](C)CCN(C)C(=O)[C@H](C)C#N ZINC001379030876 975607255 /nfs/dbraw/zinc/60/72/55/975607255.db2.gz FCBSEYSYJMYSOF-LLVKDONJSA-N 1 2 278.356 1.287 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C1CCOCC1 ZINC001401739715 975862399 /nfs/dbraw/zinc/86/23/99/975862399.db2.gz ZJXANYFLMYZHCS-NSHDSACASA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C1CCOCC1 ZINC001401739715 975862409 /nfs/dbraw/zinc/86/24/09/975862409.db2.gz ZJXANYFLMYZHCS-NSHDSACASA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCc2ccon2)C1 ZINC001391585981 976976828 /nfs/dbraw/zinc/97/68/28/976976828.db2.gz YMWCIBBBHBUAEV-GFCCVEGCSA-N 1 2 283.759 1.550 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCc2ccon2)C1 ZINC001391585981 976976832 /nfs/dbraw/zinc/97/68/32/976976832.db2.gz YMWCIBBBHBUAEV-GFCCVEGCSA-N 1 2 283.759 1.550 20 30 CDEDLO C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(C(=O)[O-])co1 ZINC001588463639 983491944 /nfs/dbraw/zinc/49/19/44/983491944.db2.gz GURSFADNEXLUGF-NSHDSACASA-N 1 2 264.325 1.584 20 30 CDEDLO C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(C(=O)[O-])co1 ZINC001588463639 983491945 /nfs/dbraw/zinc/49/19/45/983491945.db2.gz GURSFADNEXLUGF-NSHDSACASA-N 1 2 264.325 1.584 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[NH2+]Cc1cnsn1 ZINC001132660425 1163427831 /nfs/dbraw/zinc/42/78/31/1163427831.db2.gz MVDRFQIWESPBGS-JTQLQIEISA-N 1 2 268.386 1.346 20 30 CDEDLO C=CCCC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2c[nH]nn2)C1 ZINC001575084821 1171108842 /nfs/dbraw/zinc/10/88/42/1171108842.db2.gz AAMZKLUQVHPOTG-QWHCGFSZSA-N 1 2 291.399 1.488 20 30 CDEDLO C=CCCC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cn[nH]n2)C1 ZINC001575084821 1171108845 /nfs/dbraw/zinc/10/88/45/1171108845.db2.gz AAMZKLUQVHPOTG-QWHCGFSZSA-N 1 2 291.399 1.488 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000585817435 342456722 /nfs/dbraw/zinc/45/67/22/342456722.db2.gz ZZJOZDNONTYMMB-ZFWWWQNUSA-N 1 2 279.384 1.249 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cccc(C#N)n2)C1 ZINC000589455137 342506277 /nfs/dbraw/zinc/50/62/77/342506277.db2.gz BRYMAXHSFFYFKA-NSHDSACASA-N 1 2 281.319 1.316 20 30 CDEDLO N#CC1CN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000590486319 342564241 /nfs/dbraw/zinc/56/42/41/342564241.db2.gz JJAGSPVXNGMTRJ-UHFFFAOYSA-N 1 2 285.347 1.114 20 30 CDEDLO COc1ncccc1C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000618752627 349522407 /nfs/dbraw/zinc/52/24/07/349522407.db2.gz LYFHPNIVDAFAJJ-OAHLLOKOSA-N 1 2 288.395 1.756 20 30 CDEDLO N#Cc1ccsc1NC(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000590601123 342577616 /nfs/dbraw/zinc/57/76/16/342577616.db2.gz QNJWQYJMVICCKL-UHFFFAOYSA-N 1 2 287.348 1.340 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCc2nc[nH]c2C1 ZINC000590600195 342579785 /nfs/dbraw/zinc/57/97/85/342579785.db2.gz MHKCYYDQEMLIHV-UHFFFAOYSA-N 1 2 298.346 1.727 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCc2nc[nH]c2C1 ZINC000590600195 342579786 /nfs/dbraw/zinc/57/97/86/342579786.db2.gz MHKCYYDQEMLIHV-UHFFFAOYSA-N 1 2 298.346 1.727 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](O)[C@H]2C)c(C#N)c1C ZINC000590762472 342593176 /nfs/dbraw/zinc/59/31/76/342593176.db2.gz ZQZFAHUXWFMTNH-BXKDBHETSA-N 1 2 277.324 1.162 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](O)[C@H]2C)c(C#N)c1C ZINC000590762472 342593177 /nfs/dbraw/zinc/59/31/77/342593177.db2.gz ZQZFAHUXWFMTNH-BXKDBHETSA-N 1 2 277.324 1.162 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CCCCCC#N ZINC000588348018 342093538 /nfs/dbraw/zinc/09/35/38/342093538.db2.gz ORSBABZYMNABGK-ZDUSSCGKSA-N 1 2 267.373 1.297 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)CCCCCC#N ZINC000588348018 342093539 /nfs/dbraw/zinc/09/35/39/342093539.db2.gz ORSBABZYMNABGK-ZDUSSCGKSA-N 1 2 267.373 1.297 20 30 CDEDLO COCCC[N@H+](C)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000083169430 178348587 /nfs/dbraw/zinc/34/85/87/178348587.db2.gz HBFFKEFMUJCYGE-CQSZACIVSA-N 1 2 276.336 1.741 20 30 CDEDLO COCCC[N@@H+](C)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000083169430 178348589 /nfs/dbraw/zinc/34/85/89/178348589.db2.gz HBFFKEFMUJCYGE-CQSZACIVSA-N 1 2 276.336 1.741 20 30 CDEDLO Cc1cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c(C#N)cn1 ZINC000591822463 342647637 /nfs/dbraw/zinc/64/76/37/342647637.db2.gz ZJXWTTIUSKQOHK-CQSZACIVSA-N 1 2 279.347 1.769 20 30 CDEDLO Cc1nc(C[N@@H+]2CC[C@@](O)(CC#N)C2)sc1C ZINC000592152163 342669078 /nfs/dbraw/zinc/66/90/78/342669078.db2.gz VGPYNDFPEJYQMY-LBPRGKRZSA-N 1 2 251.355 1.610 20 30 CDEDLO Cc1nc(C[N@H+]2CC[C@@](O)(CC#N)C2)sc1C ZINC000592152163 342669079 /nfs/dbraw/zinc/66/90/79/342669079.db2.gz VGPYNDFPEJYQMY-LBPRGKRZSA-N 1 2 251.355 1.610 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2nc3c(s2)CCC3)C1 ZINC000592522430 342702220 /nfs/dbraw/zinc/70/22/20/342702220.db2.gz MYWFILDUHVZSCA-ZDUSSCGKSA-N 1 2 263.366 1.482 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2nc3c(s2)CCC3)C1 ZINC000592522430 342702221 /nfs/dbraw/zinc/70/22/21/342702221.db2.gz MYWFILDUHVZSCA-ZDUSSCGKSA-N 1 2 263.366 1.482 20 30 CDEDLO CC(C)Cn1nccc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592523797 342702614 /nfs/dbraw/zinc/70/26/14/342702614.db2.gz CBFZRACCWBNYNR-CQSZACIVSA-N 1 2 262.357 1.390 20 30 CDEDLO CC(C)Cn1nccc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592523797 342702615 /nfs/dbraw/zinc/70/26/15/342702615.db2.gz CBFZRACCWBNYNR-CQSZACIVSA-N 1 2 262.357 1.390 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc(Br)o2)C1 ZINC000592523296 342702701 /nfs/dbraw/zinc/70/27/01/342702701.db2.gz YAMMSDWUQPDWGH-NSHDSACASA-N 1 2 285.141 1.893 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(Br)o2)C1 ZINC000592523296 342702702 /nfs/dbraw/zinc/70/27/02/342702702.db2.gz YAMMSDWUQPDWGH-NSHDSACASA-N 1 2 285.141 1.893 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccnc(C2CC2)c1 ZINC000593154950 342774157 /nfs/dbraw/zinc/77/41/57/342774157.db2.gz QAHKPROSKAXIRB-HNNXBMFYSA-N 1 2 272.352 1.533 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000593154493 342774198 /nfs/dbraw/zinc/77/41/98/342774198.db2.gz WTABZGLMOIROOD-UKRRQHHQSA-N 1 2 291.326 1.089 20 30 CDEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000594024685 342867485 /nfs/dbraw/zinc/86/74/85/342867485.db2.gz UWLDBCHLGXSOFR-GUYCJALGSA-N 1 2 298.390 1.697 20 30 CDEDLO COc1c(C)[nH+]c(C2CC2)nc1N1CC[C@@](O)(CC#N)C1 ZINC000594586131 342921772 /nfs/dbraw/zinc/92/17/72/342921772.db2.gz OZFGGOZQASZOOO-HNNXBMFYSA-N 1 2 288.351 1.526 20 30 CDEDLO N#Cc1ncn(CC(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)n1 ZINC000532667146 539110507 /nfs/dbraw/zinc/11/05/07/539110507.db2.gz UKPIZBYCSBMRLB-UHFFFAOYSA-N 1 2 293.290 1.179 20 30 CDEDLO C=CCC1(NC(=O)Cc2c[nH+]cn2C)CCOCC1 ZINC000618249395 342266028 /nfs/dbraw/zinc/26/60/28/342266028.db2.gz RVCLWTKAUOGTDN-UHFFFAOYSA-N 1 2 263.341 1.204 20 30 CDEDLO C=CCNC(=O)CNc1ccc2cc(OC)ccc2[nH+]1 ZINC000183093482 539143726 /nfs/dbraw/zinc/14/37/26/539143726.db2.gz RHFAJEIFVXBJJD-UHFFFAOYSA-N 1 2 271.320 1.958 20 30 CDEDLO C[C@@H](C#N)Cn1[nH]c2c(c1=O)C[N@H+](Cc1ccccc1)CC2 ZINC000594659606 342936528 /nfs/dbraw/zinc/93/65/28/342936528.db2.gz GNVVNWYXYROMOS-ZFWWWQNUSA-N 1 2 296.374 1.866 20 30 CDEDLO C[C@@H](C#N)Cn1[nH]c2c(c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000594659606 342936529 /nfs/dbraw/zinc/93/65/29/342936529.db2.gz GNVVNWYXYROMOS-ZFWWWQNUSA-N 1 2 296.374 1.866 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCc2n[nH]cc2C1 ZINC000125832708 187202150 /nfs/dbraw/zinc/20/21/50/187202150.db2.gz OZAZVVXQVOXPOY-UHFFFAOYSA-N 1 2 298.346 1.727 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCc2n[nH]cc2C1 ZINC000125832708 187202151 /nfs/dbraw/zinc/20/21/51/187202151.db2.gz OZAZVVXQVOXPOY-UHFFFAOYSA-N 1 2 298.346 1.727 20 30 CDEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]3C(N)=O)o2)c1 ZINC000075618382 342313710 /nfs/dbraw/zinc/31/37/10/342313710.db2.gz PQQAJVGDIVQZHR-GFCCVEGCSA-N 1 2 297.318 1.058 20 30 CDEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H]3C(N)=O)o2)c1 ZINC000075618382 342313711 /nfs/dbraw/zinc/31/37/11/342313711.db2.gz PQQAJVGDIVQZHR-GFCCVEGCSA-N 1 2 297.318 1.058 20 30 CDEDLO COC(=O)[C@](C)(CO)[NH2+]CCCCC(C)(C)C#N ZINC000595532531 343091024 /nfs/dbraw/zinc/09/10/24/343091024.db2.gz SWKFOCSZBBSCPB-ZDUSSCGKSA-N 1 2 256.346 1.220 20 30 CDEDLO C=CCCSCCNC(=O)NCc1[nH+]ccn1C ZINC000595518071 343074305 /nfs/dbraw/zinc/07/43/05/343074305.db2.gz YYHRVVSIHXGIGZ-UHFFFAOYSA-N 1 2 268.386 1.529 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)Cc1c[nH+]c[nH]1 ZINC000595597424 343114488 /nfs/dbraw/zinc/11/44/88/343114488.db2.gz PWELSKMDBDJZFR-RISCZKNCSA-N 1 2 277.372 1.284 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)N(C)Cc1c[nH+]c[nH]1 ZINC000595598234 343114566 /nfs/dbraw/zinc/11/45/66/343114566.db2.gz ZRUHLEVQJVEYGV-LLVKDONJSA-N 1 2 283.335 1.740 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)N(C)Cc1c[nH]c[nH+]1 ZINC000595598234 343114568 /nfs/dbraw/zinc/11/45/68/343114568.db2.gz ZRUHLEVQJVEYGV-LLVKDONJSA-N 1 2 283.335 1.740 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595700608 343126068 /nfs/dbraw/zinc/12/60/68/343126068.db2.gz CIMJOHAMTQTEFP-CYBMUJFWSA-N 1 2 291.326 1.584 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595700608 343126070 /nfs/dbraw/zinc/12/60/70/343126070.db2.gz CIMJOHAMTQTEFP-CYBMUJFWSA-N 1 2 291.326 1.584 20 30 CDEDLO C=C(Br)C[NH+]1CCC(NC(N)=O)CC1 ZINC000079761792 342347306 /nfs/dbraw/zinc/34/73/06/342347306.db2.gz PEWYUKFJKCRYFU-UHFFFAOYSA-N 1 2 262.151 1.028 20 30 CDEDLO C[C@H]1CCN(c2c(C#N)cnn2C)C[C@@H]1n1cc[nH+]c1 ZINC000596158135 343254659 /nfs/dbraw/zinc/25/46/59/343254659.db2.gz RGVNVBDJABRAQR-AAEUAGOBSA-N 1 2 270.340 1.576 20 30 CDEDLO N#Cc1nc(N2CC[NH+]([C@H]3CCOC3)CC2)sc1Cl ZINC000596167246 343257920 /nfs/dbraw/zinc/25/79/20/343257920.db2.gz FSLFTAXBKKXRGM-VIFPVBQESA-N 1 2 298.799 1.579 20 30 CDEDLO C#CC[NH+]1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000090069993 342393599 /nfs/dbraw/zinc/39/35/99/342393599.db2.gz XDKJYCJDEDTVCH-UHFFFAOYSA-N 1 2 272.377 1.755 20 30 CDEDLO N#Cc1c(NCc2ccc[nH+]c2N)n[nH]c1C1CC1 ZINC000596272095 343293972 /nfs/dbraw/zinc/29/39/72/343293972.db2.gz MOZVGLWQPGXJRG-UHFFFAOYSA-N 1 2 254.297 1.170 20 30 CDEDLO N#Cc1cnnc(NCc2ccc[nH+]c2N2CCCC2)c1 ZINC000596357048 343309656 /nfs/dbraw/zinc/30/96/56/343309656.db2.gz NFFKWKYZVGPSED-UHFFFAOYSA-N 1 2 280.335 1.377 20 30 CDEDLO C=CC[C@H]1N(C(=O)[C@@H]2C[N@H+](C)CCO2)CCCC1(C)C ZINC000444333548 362183586 /nfs/dbraw/zinc/18/35/86/362183586.db2.gz ZUFNCCOVYKOZRZ-UONOGXRCSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CC[C@H]1N(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCCC1(C)C ZINC000444333548 362183589 /nfs/dbraw/zinc/18/35/89/362183589.db2.gz ZUFNCCOVYKOZRZ-UONOGXRCSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CCNC(=O)C[NH2+]Cc1cccc(O)c1Cl ZINC000293415654 362221700 /nfs/dbraw/zinc/22/17/00/362221700.db2.gz ZKYVFAHBFHQSHP-UHFFFAOYSA-N 1 2 254.717 1.437 20 30 CDEDLO N#Cc1ccc(CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000597889498 343658840 /nfs/dbraw/zinc/65/88/40/343658840.db2.gz ITYWFMZIHYEGPY-OAHLLOKOSA-N 1 2 294.358 1.676 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1cnn(CC)c1 ZINC000072981397 349845780 /nfs/dbraw/zinc/84/57/80/349845780.db2.gz DMEFQASWLVZEIM-UHFFFAOYSA-N 1 2 276.384 1.535 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1cnn(CC)c1 ZINC000072981397 349845783 /nfs/dbraw/zinc/84/57/83/349845783.db2.gz DMEFQASWLVZEIM-UHFFFAOYSA-N 1 2 276.384 1.535 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000619718362 349868496 /nfs/dbraw/zinc/86/84/96/349868496.db2.gz LFONCQFGSBKOMP-GJZGRUSLSA-N 1 2 297.395 1.764 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000619719577 349869677 /nfs/dbraw/zinc/86/96/77/349869677.db2.gz MEWAMNCCOARAFU-AWEZNQCLSA-N 1 2 262.353 1.912 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000619719577 349869681 /nfs/dbraw/zinc/86/96/81/349869681.db2.gz MEWAMNCCOARAFU-AWEZNQCLSA-N 1 2 262.353 1.912 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000619720335 349870207 /nfs/dbraw/zinc/87/02/07/349870207.db2.gz CQSPWVRWULBCLE-CHWSQXEVSA-N 1 2 253.342 1.463 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000598591407 343838358 /nfs/dbraw/zinc/83/83/58/343838358.db2.gz AZBQDSYMOSWSBW-CHWSQXEVSA-N 1 2 278.352 1.954 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000598591407 343838360 /nfs/dbraw/zinc/83/83/60/343838360.db2.gz AZBQDSYMOSWSBW-CHWSQXEVSA-N 1 2 278.352 1.954 20 30 CDEDLO C[C@@H]1C[NH+](C[C@@H](O)CC(C)(C)C#N)C[C@@H](C)S1=O ZINC000598615629 343842878 /nfs/dbraw/zinc/84/28/78/343842878.db2.gz KKDMPJIMCLBTMZ-UTUOFQBUSA-N 1 2 272.414 1.128 20 30 CDEDLO Cc1ccnc(N2CC[NH+](Cc3ccncc3)CC2)c1C#N ZINC000612066477 346999494 /nfs/dbraw/zinc/99/94/94/346999494.db2.gz IHPPTURGRMIYBN-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO C[N@@H+]1CCOC[C@H]1CNc1ncc2c(c1C#N)CCC2 ZINC000599161502 343971913 /nfs/dbraw/zinc/97/19/13/343971913.db2.gz PYPWAZNQAALDLG-GFCCVEGCSA-N 1 2 272.352 1.184 20 30 CDEDLO C[N@H+]1CCOC[C@H]1CNc1ncc2c(c1C#N)CCC2 ZINC000599161502 343971914 /nfs/dbraw/zinc/97/19/14/343971914.db2.gz PYPWAZNQAALDLG-GFCCVEGCSA-N 1 2 272.352 1.184 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000619777809 349899608 /nfs/dbraw/zinc/89/96/08/349899608.db2.gz ASFVOCVVFNLVHV-GXFFZTMASA-N 1 2 277.755 1.973 20 30 CDEDLO N#Cc1cccc(NC(=O)CN2CCc3[nH+]c[nH]c3C2)c1 ZINC000599430702 344056581 /nfs/dbraw/zinc/05/65/81/344056581.db2.gz YOJDWZPNNGTPOK-UHFFFAOYSA-N 1 2 281.319 1.278 20 30 CDEDLO CC[C@](C)(C#N)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000602086216 344330180 /nfs/dbraw/zinc/33/01/80/344330180.db2.gz MWWGJWXXPGOFOK-OAHLLOKOSA-N 1 2 284.319 2.000 20 30 CDEDLO COC[C@](C)(C#N)NC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000602123170 344353748 /nfs/dbraw/zinc/35/37/48/344353748.db2.gz UYUPDGNCSFTZIT-AWEZNQCLSA-N 1 2 272.308 1.301 20 30 CDEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000602608296 344492353 /nfs/dbraw/zinc/49/23/53/344492353.db2.gz LYRHGIOSUSERNC-AWEZNQCLSA-N 1 2 293.392 1.460 20 30 CDEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000602608296 344492355 /nfs/dbraw/zinc/49/23/55/344492355.db2.gz LYRHGIOSUSERNC-AWEZNQCLSA-N 1 2 293.392 1.460 20 30 CDEDLO CCOc1cc(C[NH+]2CCN(CCC#N)CC2)ccc1O ZINC000602748054 344562021 /nfs/dbraw/zinc/56/20/21/344562021.db2.gz JYUOSHROCKRJMO-UHFFFAOYSA-N 1 2 289.379 1.822 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)N(C)Cc1ccccc1 ZINC000602860652 344616616 /nfs/dbraw/zinc/61/66/16/344616616.db2.gz DAEUENQFUDLIJB-QWHCGFSZSA-N 1 2 259.353 1.925 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000602869774 344640472 /nfs/dbraw/zinc/64/04/72/344640472.db2.gz OSMRDYAMOVYOIF-BDAKNGLRSA-N 1 2 266.732 1.954 20 30 CDEDLO COC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)CC#N)c1 ZINC000602870794 344641221 /nfs/dbraw/zinc/64/12/21/344641221.db2.gz XDAOQDBEHGQABJ-JTQLQIEISA-N 1 2 275.308 1.303 20 30 CDEDLO N#CCN1CCC(Nc2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000617950145 344899308 /nfs/dbraw/zinc/89/93/08/344899308.db2.gz BIRZEQQDUZZLAG-UHFFFAOYSA-N 1 2 286.383 1.477 20 30 CDEDLO N#CCN1CCC(Nc2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000617950145 344899310 /nfs/dbraw/zinc/89/93/10/344899310.db2.gz BIRZEQQDUZZLAG-UHFFFAOYSA-N 1 2 286.383 1.477 20 30 CDEDLO C[C@@H](C#N)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000609492022 345041262 /nfs/dbraw/zinc/04/12/62/345041262.db2.gz RCTKEDUECASHTG-JTQLQIEISA-N 1 2 299.290 1.670 20 30 CDEDLO COC(=O)N1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000052278050 345238257 /nfs/dbraw/zinc/23/82/57/345238257.db2.gz FBNBLPKQXQOROO-UHFFFAOYSA-N 1 2 289.335 1.321 20 30 CDEDLO C=CCC1(C(=O)NCC[NH+]2CCOCC2)CCCC1 ZINC000449060864 362619245 /nfs/dbraw/zinc/61/92/45/362619245.db2.gz UTDAAZDNRLECSD-UHFFFAOYSA-N 1 2 266.385 1.571 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623304065 346022455 /nfs/dbraw/zinc/02/24/55/346022455.db2.gz PWDZAXXIGSYNCW-RYUDHWBXSA-N 1 2 263.341 1.295 20 30 CDEDLO COCC[N@H+](CCC#N)Cc1cnc2c(c1)c(C)nn2C ZINC000610392169 346269810 /nfs/dbraw/zinc/26/98/10/346269810.db2.gz PCNQORNDPQVOFP-UHFFFAOYSA-N 1 2 287.367 1.639 20 30 CDEDLO COCC[N@@H+](CCC#N)Cc1cnc2c(c1)c(C)nn2C ZINC000610392169 346269814 /nfs/dbraw/zinc/26/98/14/346269814.db2.gz PCNQORNDPQVOFP-UHFFFAOYSA-N 1 2 287.367 1.639 20 30 CDEDLO COC[C@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000610615588 346323513 /nfs/dbraw/zinc/32/35/13/346323513.db2.gz UDNVYKGOBKLOBC-LLVKDONJSA-N 1 2 279.365 1.669 20 30 CDEDLO COC[C@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000610615588 346323514 /nfs/dbraw/zinc/32/35/14/346323514.db2.gz UDNVYKGOBKLOBC-LLVKDONJSA-N 1 2 279.365 1.669 20 30 CDEDLO COC(=O)[C@@H](COC(C)C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000610826493 346457029 /nfs/dbraw/zinc/45/70/29/346457029.db2.gz FQZBYGCIANDRHG-OAHLLOKOSA-N 1 2 290.363 1.957 20 30 CDEDLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000610826493 346457031 /nfs/dbraw/zinc/45/70/31/346457031.db2.gz FQZBYGCIANDRHG-OAHLLOKOSA-N 1 2 290.363 1.957 20 30 CDEDLO CN(CCO)c1ccc(NCc2ccc(C#N)cc2)[nH+]c1 ZINC000610908844 346486193 /nfs/dbraw/zinc/48/61/93/346486193.db2.gz MUTQBTNYQKCIKG-UHFFFAOYSA-N 1 2 282.347 1.416 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000610913720 346489561 /nfs/dbraw/zinc/48/95/61/346489561.db2.gz WRBBNVAUYSQQMH-NSHDSACASA-N 1 2 291.376 1.166 20 30 CDEDLO CC[N@H+](CC[C@H]1CCS(=O)(=O)C1)C[C@H](C)C#N ZINC000611170515 346628752 /nfs/dbraw/zinc/62/87/52/346628752.db2.gz YNSJBYGXTFDDDH-NEPJUHHUSA-N 1 2 258.387 1.293 20 30 CDEDLO CC[N@@H+](CC[C@H]1CCS(=O)(=O)C1)C[C@H](C)C#N ZINC000611170515 346628753 /nfs/dbraw/zinc/62/87/53/346628753.db2.gz YNSJBYGXTFDDDH-NEPJUHHUSA-N 1 2 258.387 1.293 20 30 CDEDLO C=C[C@@](C)(O)C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000612529531 347200979 /nfs/dbraw/zinc/20/09/79/347200979.db2.gz GJOZTTOWKHGRCK-MRXNPFEDSA-N 1 2 292.354 1.407 20 30 CDEDLO N#CCC[C@H](C#N)C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089970452 347277100 /nfs/dbraw/zinc/27/71/00/347277100.db2.gz LZWISMQHTZHJDA-SNVBAGLBSA-N 1 2 275.274 1.819 20 30 CDEDLO CCS(=O)(=O)CC[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000128579392 187378408 /nfs/dbraw/zinc/37/84/08/187378408.db2.gz MBBNQXKWKZJDLM-UHFFFAOYSA-N 1 2 284.356 1.564 20 30 CDEDLO CCS(=O)(=O)CC[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000128579392 187378409 /nfs/dbraw/zinc/37/84/09/187378409.db2.gz MBBNQXKWKZJDLM-UHFFFAOYSA-N 1 2 284.356 1.564 20 30 CDEDLO C[C@@H](C#N)CN(C)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000263785871 362944230 /nfs/dbraw/zinc/94/42/30/362944230.db2.gz OXQIJDFVOMUDBL-NSHDSACASA-N 1 2 256.309 1.495 20 30 CDEDLO CN(CCCc1[nH]nc(N)c1C#N)c1cc[nH+]cc1F ZINC000603276092 350244547 /nfs/dbraw/zinc/24/45/47/350244547.db2.gz VVCAWYVTQPTHQT-UHFFFAOYSA-N 1 2 274.303 1.297 20 30 CDEDLO CC[C@@H](F)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000440694193 366037853 /nfs/dbraw/zinc/03/78/53/366037853.db2.gz BIDJJOUCODQCCQ-CYBMUJFWSA-N 1 2 262.332 1.823 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)no1 ZINC000292063865 198150018 /nfs/dbraw/zinc/15/00/18/198150018.db2.gz CGCFXEBSRAGWSO-AWEZNQCLSA-N 1 2 284.319 1.903 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)no1 ZINC000292063865 198150020 /nfs/dbraw/zinc/15/00/20/198150020.db2.gz CGCFXEBSRAGWSO-AWEZNQCLSA-N 1 2 284.319 1.903 20 30 CDEDLO CCC[C@@H]1C(=O)NCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000152518870 188025213 /nfs/dbraw/zinc/02/52/13/188025213.db2.gz JDJZQCLGASUSPF-OAHLLOKOSA-N 1 2 287.363 1.538 20 30 CDEDLO CCC[C@@H]1C(=O)NCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000152518870 188025215 /nfs/dbraw/zinc/02/52/15/188025215.db2.gz JDJZQCLGASUSPF-OAHLLOKOSA-N 1 2 287.363 1.538 20 30 CDEDLO CCC[C@](C)([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C(=O)OC ZINC000156445963 188262798 /nfs/dbraw/zinc/26/27/98/188262798.db2.gz KXUSRTLXFKGQPY-ZBFHGGJFSA-N 1 2 290.363 1.913 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCOC2(CCCC2)C1 ZINC000158416107 188375202 /nfs/dbraw/zinc/37/52/02/188375202.db2.gz GGXXGZGEUXTBJD-UHFFFAOYSA-N 1 2 278.396 1.832 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCOC2(CCCC2)C1 ZINC000158416107 188375203 /nfs/dbraw/zinc/37/52/03/188375203.db2.gz GGXXGZGEUXTBJD-UHFFFAOYSA-N 1 2 278.396 1.832 20 30 CDEDLO COC(=O)[C@@H]1CC[N@H+](C[C@@H](C#N)CCC#N)C[C@@H]1C ZINC000355379297 366093592 /nfs/dbraw/zinc/09/35/92/366093592.db2.gz LEWARHSMYZYOQM-YNEHKIRRSA-N 1 2 263.341 1.561 20 30 CDEDLO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](C#N)CCC#N)C[C@@H]1C ZINC000355379297 366093595 /nfs/dbraw/zinc/09/35/95/366093595.db2.gz LEWARHSMYZYOQM-YNEHKIRRSA-N 1 2 263.341 1.561 20 30 CDEDLO Cc1c[nH+]c(CN2CCN(c3ccc(C#N)cn3)CC2)n1C ZINC000342796444 356247123 /nfs/dbraw/zinc/24/71/23/356247123.db2.gz YTUNFVDYCNFUPR-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000299311203 357013801 /nfs/dbraw/zinc/01/38/01/357013801.db2.gz SQANLHAGBIMGLN-LBPRGKRZSA-N 1 2 273.336 1.932 20 30 CDEDLO CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000334324915 357565790 /nfs/dbraw/zinc/56/57/90/357565790.db2.gz KLFNTCCBADAOAL-OAHLLOKOSA-N 1 2 294.358 1.976 20 30 CDEDLO N#Cc1cccc(NC(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000334755741 357630376 /nfs/dbraw/zinc/63/03/76/357630376.db2.gz JSYUKULGZTZTKJ-UHFFFAOYSA-N 1 2 267.292 1.802 20 30 CDEDLO C#CCO[C@H](C)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000294331670 199001078 /nfs/dbraw/zinc/00/10/78/199001078.db2.gz FLSLJBBYOFUOQJ-SECBINFHSA-N 1 2 279.365 1.108 20 30 CDEDLO C#CCO[C@H](C)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000294331670 199001080 /nfs/dbraw/zinc/00/10/80/199001080.db2.gz FLSLJBBYOFUOQJ-SECBINFHSA-N 1 2 279.365 1.108 20 30 CDEDLO CN1CC[N@H+](C)[C@@H](CNc2ccc(Cl)c(C#N)n2)C1 ZINC000264687479 358061262 /nfs/dbraw/zinc/06/12/62/358061262.db2.gz BNFUWMZUMPBXFD-JTQLQIEISA-N 1 2 279.775 1.264 20 30 CDEDLO CN1CC[N@@H+](C)[C@@H](CNc2ccc(Cl)c(C#N)n2)C1 ZINC000264687479 358061264 /nfs/dbraw/zinc/06/12/64/358061264.db2.gz BNFUWMZUMPBXFD-JTQLQIEISA-N 1 2 279.775 1.264 20 30 CDEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000080906778 358108266 /nfs/dbraw/zinc/10/82/66/358108266.db2.gz ARMZZSVCSKHXGS-MRXNPFEDSA-N 1 2 298.390 1.147 20 30 CDEDLO CC1(C)C[N@H+](Cc2cn3ccccc3c2C#N)C[C@@H](CO)O1 ZINC000319310182 358151358 /nfs/dbraw/zinc/15/13/58/358151358.db2.gz YLLYRVJWPANLCS-AWEZNQCLSA-N 1 2 299.374 1.783 20 30 CDEDLO CC1(C)C[N@@H+](Cc2cn3ccccc3c2C#N)C[C@@H](CO)O1 ZINC000319310182 358151360 /nfs/dbraw/zinc/15/13/60/358151360.db2.gz YLLYRVJWPANLCS-AWEZNQCLSA-N 1 2 299.374 1.783 20 30 CDEDLO N#Cc1ccnc(N2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000295568405 358525229 /nfs/dbraw/zinc/52/52/29/358525229.db2.gz QYKJBWRPFFSESW-GFCCVEGCSA-N 1 2 280.335 1.682 20 30 CDEDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)o1 ZINC000541687480 358745639 /nfs/dbraw/zinc/74/56/39/358745639.db2.gz VCCYFRIXVVXRQV-NXEZZACHSA-N 1 2 299.334 1.928 20 30 CDEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@](C)(C#N)CSC ZINC000493607680 366484746 /nfs/dbraw/zinc/48/47/46/366484746.db2.gz ASDSKCWYNCHZKT-URWSZGRFSA-N 1 2 278.381 1.678 20 30 CDEDLO C#C[C@H](CC)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000491668885 366507793 /nfs/dbraw/zinc/50/77/93/366507793.db2.gz MZEKQKHPSGVAJY-GFCCVEGCSA-N 1 2 256.309 1.545 20 30 CDEDLO COCC[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000291306398 358921016 /nfs/dbraw/zinc/92/10/16/358921016.db2.gz REAFZVBEUSZWTD-CQSZACIVSA-N 1 2 278.327 1.935 20 30 CDEDLO COCC[C@@H]1COCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000291306398 358921020 /nfs/dbraw/zinc/92/10/20/358921020.db2.gz REAFZVBEUSZWTD-CQSZACIVSA-N 1 2 278.327 1.935 20 30 CDEDLO CO[C@@H]1CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000435037097 359031347 /nfs/dbraw/zinc/03/13/47/359031347.db2.gz VRGPTWDMURFEIS-VXGBXAGGSA-N 1 2 291.376 1.446 20 30 CDEDLO CO[C@@H]1CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000435037097 359031350 /nfs/dbraw/zinc/03/13/50/359031350.db2.gz VRGPTWDMURFEIS-VXGBXAGGSA-N 1 2 291.376 1.446 20 30 CDEDLO C=C1CC[NH+](CC(=O)NC(=O)NC2CCCCC2)CC1 ZINC000264457809 359309349 /nfs/dbraw/zinc/30/93/49/359309349.db2.gz JNKNLYSALAGLSQ-UHFFFAOYSA-N 1 2 279.384 1.797 20 30 CDEDLO C#CCOc1ccc(C(=O)N(C)Cc2[nH+]ccn2C)cc1 ZINC000265966912 359337773 /nfs/dbraw/zinc/33/77/73/359337773.db2.gz STALWADOIUVOKK-UHFFFAOYSA-N 1 2 283.331 1.704 20 30 CDEDLO C#CC[N@@H+](CC)Cc1nc2ccccc2c(=O)n1C ZINC000267304648 359350736 /nfs/dbraw/zinc/35/07/36/359350736.db2.gz LGFPIMDLGXBXRS-UHFFFAOYSA-N 1 2 255.321 1.389 20 30 CDEDLO C#CC[N@H+](CC)Cc1nc2ccccc2c(=O)n1C ZINC000267304648 359350741 /nfs/dbraw/zinc/35/07/41/359350741.db2.gz LGFPIMDLGXBXRS-UHFFFAOYSA-N 1 2 255.321 1.389 20 30 CDEDLO C#CC[N@@H+](CC(=O)N[C@@H](C)c1ccccc1)C1CC1 ZINC000274251217 359495942 /nfs/dbraw/zinc/49/59/42/359495942.db2.gz ZTZQARYJNMFEJR-ZDUSSCGKSA-N 1 2 256.349 1.961 20 30 CDEDLO C#CC[N@H+](CC(=O)N[C@@H](C)c1ccccc1)C1CC1 ZINC000274251217 359495947 /nfs/dbraw/zinc/49/59/47/359495947.db2.gz ZTZQARYJNMFEJR-ZDUSSCGKSA-N 1 2 256.349 1.961 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N ZINC000527190412 359910285 /nfs/dbraw/zinc/91/02/85/359910285.db2.gz FNOZRNPQOLEUQL-OAHLLOKOSA-N 1 2 289.383 1.396 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cccc(C#N)c2F)C1=O ZINC000337202984 360024316 /nfs/dbraw/zinc/02/43/16/360024316.db2.gz FVDYPPSPEUOWQH-AWEZNQCLSA-N 1 2 287.338 1.916 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cccc(C#N)c2F)C1=O ZINC000337202984 360024319 /nfs/dbraw/zinc/02/43/19/360024319.db2.gz FVDYPPSPEUOWQH-AWEZNQCLSA-N 1 2 287.338 1.916 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCN(C)[C@H](C(C)C)C2)C1=O ZINC000337212246 360040931 /nfs/dbraw/zinc/04/09/31/360040931.db2.gz VHZKGVLBXHWZEQ-KGLIPLIRSA-N 1 2 265.401 1.045 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(C)[C@H](C(C)C)C2)C1=O ZINC000337212246 360040935 /nfs/dbraw/zinc/04/09/35/360040935.db2.gz VHZKGVLBXHWZEQ-KGLIPLIRSA-N 1 2 265.401 1.045 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)NCC1(CC#N)CC1)[NH+]1CCOCC1 ZINC000430583317 360935690 /nfs/dbraw/zinc/93/56/90/360935690.db2.gz XSAWSCGRIIZLHX-QWHCGFSZSA-N 1 2 294.399 1.089 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000157664168 360944863 /nfs/dbraw/zinc/94/48/63/360944863.db2.gz CPQYHOLTPZFNFI-NEPJUHHUSA-N 1 2 282.388 1.338 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000157664168 360944868 /nfs/dbraw/zinc/94/48/68/360944868.db2.gz CPQYHOLTPZFNFI-NEPJUHHUSA-N 1 2 282.388 1.338 20 30 CDEDLO C=C[C@@H](CC(=O)NC[C@@H]1C[NH+]2CCN1CC2)c1ccccc1 ZINC000179454748 189195745 /nfs/dbraw/zinc/19/57/45/189195745.db2.gz IAWCBFPKPKTRBL-DOTOQJQBSA-N 1 2 299.418 1.462 20 30 CDEDLO C=C(C)CN(CC)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000349720257 360932276 /nfs/dbraw/zinc/93/22/76/360932276.db2.gz DIRCDGPHQIUSBH-UHFFFAOYSA-N 1 2 254.374 1.522 20 30 CDEDLO C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)CC(C)(C)C#N ZINC000433307831 361230958 /nfs/dbraw/zinc/23/09/58/361230958.db2.gz WBAPMIIIXTUQDX-VXGBXAGGSA-N 1 2 267.373 1.152 20 30 CDEDLO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+](C)CC(C)(C)C#N ZINC000433307831 361230964 /nfs/dbraw/zinc/23/09/64/361230964.db2.gz WBAPMIIIXTUQDX-VXGBXAGGSA-N 1 2 267.373 1.152 20 30 CDEDLO C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)CC(C)(C)C#N ZINC000433307828 361231177 /nfs/dbraw/zinc/23/11/77/361231177.db2.gz WBAPMIIIXTUQDX-RYUDHWBXSA-N 1 2 267.373 1.152 20 30 CDEDLO C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)CC(C)(C)C#N ZINC000433307828 361231182 /nfs/dbraw/zinc/23/11/82/361231182.db2.gz WBAPMIIIXTUQDX-RYUDHWBXSA-N 1 2 267.373 1.152 20 30 CDEDLO C=CC[C@H](C)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433917288 361277798 /nfs/dbraw/zinc/27/77/98/361277798.db2.gz DQFCEWFNMBUWPN-LBPRGKRZSA-N 1 2 267.373 1.115 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCc2ccsc2C1)C1CC1 ZINC000132750451 361268799 /nfs/dbraw/zinc/26/87/99/361268799.db2.gz LUMXAXBTSPKLSO-OAHLLOKOSA-N 1 2 289.404 1.915 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCc2ccsc2C1)C1CC1 ZINC000132750451 361268806 /nfs/dbraw/zinc/26/88/06/361268806.db2.gz LUMXAXBTSPKLSO-OAHLLOKOSA-N 1 2 289.404 1.915 20 30 CDEDLO N#Cc1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccn1 ZINC000280151306 361306193 /nfs/dbraw/zinc/30/61/93/361306193.db2.gz DRJJVPHVTLVGGU-GFCCVEGCSA-N 1 2 281.319 1.696 20 30 CDEDLO COC(=O)C[C@@H]1C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000267707001 361331137 /nfs/dbraw/zinc/33/11/37/361331137.db2.gz VTIVAUCKIIGJCW-SWLSCSKDSA-N 1 2 288.347 1.883 20 30 CDEDLO COC(=O)C[C@@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000267707001 361331141 /nfs/dbraw/zinc/33/11/41/361331141.db2.gz VTIVAUCKIIGJCW-SWLSCSKDSA-N 1 2 288.347 1.883 20 30 CDEDLO CC1(C(=O)NCC[N@@H+]2CCOCC2(C)C)COC1 ZINC000329317814 361477397 /nfs/dbraw/zinc/47/73/97/361477397.db2.gz FKWYDIMSSMSDPM-UHFFFAOYSA-N 1 2 256.346 1.090 20 30 CDEDLO CC1(C(=O)NCC[N@H+]2CCOCC2(C)C)COC1 ZINC000329317814 361477404 /nfs/dbraw/zinc/47/74/04/361477404.db2.gz FKWYDIMSSMSDPM-UHFFFAOYSA-N 1 2 256.346 1.090 20 30 CDEDLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCc1ccncc1 ZINC000329353157 361488167 /nfs/dbraw/zinc/48/81/67/361488167.db2.gz FBOOJQGDOJGNJI-ZDUSSCGKSA-N 1 2 263.341 1.301 20 30 CDEDLO CC[N@H+]1CCOC[C@H]1C(=O)NCCc1ccncc1 ZINC000329353157 361488169 /nfs/dbraw/zinc/48/81/69/361488169.db2.gz FBOOJQGDOJGNJI-ZDUSSCGKSA-N 1 2 263.341 1.301 20 30 CDEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cc2n(n1)CCCO2 ZINC000329639803 361618166 /nfs/dbraw/zinc/61/81/66/361618166.db2.gz ZLKQGEDSUJTKIQ-SECBINFHSA-N 1 2 287.323 1.251 20 30 CDEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cc2n(n1)CCCO2 ZINC000329639803 361618171 /nfs/dbraw/zinc/61/81/71/361618171.db2.gz ZLKQGEDSUJTKIQ-SECBINFHSA-N 1 2 287.323 1.251 20 30 CDEDLO COCCC1(C)CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000329674490 361701319 /nfs/dbraw/zinc/70/13/19/361701319.db2.gz TYIHKMFQEOANSE-GFCCVEGCSA-N 1 2 292.383 1.470 20 30 CDEDLO COC[C@@](C)(C#N)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000532761900 364005401 /nfs/dbraw/zinc/00/54/01/364005401.db2.gz KLIDOIKHQLUAHR-OAHLLOKOSA-N 1 2 286.335 1.230 20 30 CDEDLO C=C(C)CN(CC)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171227191 364346140 /nfs/dbraw/zinc/34/61/40/364346140.db2.gz XLJUNVYCCQOKCK-UHFFFAOYSA-N 1 2 283.416 1.705 20 30 CDEDLO C=C(C)CN(CC)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171227191 364346145 /nfs/dbraw/zinc/34/61/45/364346145.db2.gz XLJUNVYCCQOKCK-UHFFFAOYSA-N 1 2 283.416 1.705 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(CCOC)CC1 ZINC000042565718 364597366 /nfs/dbraw/zinc/59/73/66/364597366.db2.gz GHWGJNWDLCWTST-HNNXBMFYSA-N 1 2 297.443 1.064 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3ccc(Cl)cc3C#N)C[C@@H]21 ZINC000359876471 364727855 /nfs/dbraw/zinc/72/78/55/364727855.db2.gz MLHZCXIWVKDVPS-GJZGRUSLSA-N 1 2 291.782 1.726 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3ccc(Cl)cc3C#N)C[C@@H]21 ZINC000359876471 364727857 /nfs/dbraw/zinc/72/78/57/364727857.db2.gz MLHZCXIWVKDVPS-GJZGRUSLSA-N 1 2 291.782 1.726 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCCn1cc[nH+]c1 ZINC000275710997 193110953 /nfs/dbraw/zinc/11/09/53/193110953.db2.gz RNTZWRRNSXAYIU-CYBMUJFWSA-N 1 2 251.330 1.228 20 30 CDEDLO CC[N@H+](CCC#N)Cc1nn2c(nc(C)cc2=O)s1 ZINC000357956108 367331371 /nfs/dbraw/zinc/33/13/71/367331371.db2.gz GOKPOWUQYKKXLO-UHFFFAOYSA-N 1 2 277.353 1.195 20 30 CDEDLO CC[N@@H+](CCC#N)Cc1nn2c(nc(C)cc2=O)s1 ZINC000357956108 367331379 /nfs/dbraw/zinc/33/13/79/367331379.db2.gz GOKPOWUQYKKXLO-UHFFFAOYSA-N 1 2 277.353 1.195 20 30 CDEDLO C=CC[N@@H+](C[C@H](O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000361315619 368743076 /nfs/dbraw/zinc/74/30/76/368743076.db2.gz LPPURBPPFVYXQP-ZIAGYGMSSA-N 1 2 289.441 1.459 20 30 CDEDLO C=CC[N@H+](C[C@H](O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000361315619 368743082 /nfs/dbraw/zinc/74/30/82/368743082.db2.gz LPPURBPPFVYXQP-ZIAGYGMSSA-N 1 2 289.441 1.459 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1nnc(C)o1 ZINC000543543476 368927290 /nfs/dbraw/zinc/92/72/90/368927290.db2.gz UCCABEBICKCJQF-SNVBAGLBSA-N 1 2 266.345 1.453 20 30 CDEDLO CC#CCCNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000361649325 368961909 /nfs/dbraw/zinc/96/19/09/368961909.db2.gz ZYTZQLWPIVUPKL-UHFFFAOYSA-N 1 2 260.341 1.643 20 30 CDEDLO N#CCCCNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000544114944 369015405 /nfs/dbraw/zinc/01/54/05/369015405.db2.gz UPCFEWQDTUGXCT-UHFFFAOYSA-N 1 2 292.408 1.879 20 30 CDEDLO N#CC1(C[NH2+]CCS(=O)(=O)c2ccccc2)CCC1 ZINC000565655454 370495594 /nfs/dbraw/zinc/49/55/94/370495594.db2.gz SEBUDGQBSQZBJI-UHFFFAOYSA-N 1 2 278.377 1.744 20 30 CDEDLO COc1ccc(CCC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000568581372 371227528 /nfs/dbraw/zinc/22/75/28/371227528.db2.gz MGCGFERKJXJHND-MRXNPFEDSA-N 1 2 289.379 1.588 20 30 CDEDLO Cc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(F)c1 ZINC000568516519 371226161 /nfs/dbraw/zinc/22/61/61/371226161.db2.gz DVJLUYDJBVGESI-CQSZACIVSA-N 1 2 263.316 1.708 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CC#N)C1CCCC1 ZINC000579139662 372553584 /nfs/dbraw/zinc/55/35/84/372553584.db2.gz OAMVREZDQWGAHU-NSHDSACASA-N 1 2 260.341 1.883 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CC#N)C1CCCC1 ZINC000579139662 372553591 /nfs/dbraw/zinc/55/35/91/372553591.db2.gz OAMVREZDQWGAHU-NSHDSACASA-N 1 2 260.341 1.883 20 30 CDEDLO C[C@H]1CCC[C@@](C#N)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC000185676796 372664818 /nfs/dbraw/zinc/66/48/18/372664818.db2.gz GQAYGJNKYFLRGU-SMDDNHRTSA-N 1 2 260.341 1.551 20 30 CDEDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000104063708 374175026 /nfs/dbraw/zinc/17/50/26/374175026.db2.gz DFGLGRLLHPWTNA-CQSZACIVSA-N 1 2 257.337 1.515 20 30 CDEDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000104063708 374175031 /nfs/dbraw/zinc/17/50/31/374175031.db2.gz DFGLGRLLHPWTNA-CQSZACIVSA-N 1 2 257.337 1.515 20 30 CDEDLO CN1CC[N@H+](C)[C@H](CNc2cccc(Cl)c2C#N)C1 ZINC000068806152 374492592 /nfs/dbraw/zinc/49/25/92/374492592.db2.gz OJNVXCFREXFKNV-LLVKDONJSA-N 1 2 278.787 1.869 20 30 CDEDLO CN1CC[N@@H+](C)[C@H](CNc2cccc(Cl)c2C#N)C1 ZINC000068806152 374492600 /nfs/dbraw/zinc/49/26/00/374492600.db2.gz OJNVXCFREXFKNV-LLVKDONJSA-N 1 2 278.787 1.869 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNc1nc(C)cc(C#N)n1)CCC2 ZINC000376401831 374554735 /nfs/dbraw/zinc/55/47/35/374554735.db2.gz DNXQURWBNHXPHA-GFCCVEGCSA-N 1 2 282.351 1.573 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000376854444 374571282 /nfs/dbraw/zinc/57/12/82/374571282.db2.gz HZQGGFYQYNISCU-JTQLQIEISA-N 1 2 269.308 1.250 20 30 CDEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000118392975 374657584 /nfs/dbraw/zinc/65/75/84/374657584.db2.gz GDGWQQZVZFYHSH-CYBMUJFWSA-N 1 2 286.379 1.918 20 30 CDEDLO CCNC(=O)N1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118391567 374657855 /nfs/dbraw/zinc/65/78/55/374657855.db2.gz URAALBUYUBZSHT-CYBMUJFWSA-N 1 2 286.379 1.966 20 30 CDEDLO CC(C)[C@H](NC(=O)c1ccnc(C#N)c1)c1[nH]cc[nH+]1 ZINC000282993533 375107637 /nfs/dbraw/zinc/10/76/37/375107637.db2.gz LILJOEKXHWEVGK-LBPRGKRZSA-N 1 2 269.308 1.803 20 30 CDEDLO N#Cc1ccnc(NCc2ccc[nH+]c2N2CCOCC2)c1 ZINC000283472822 375116819 /nfs/dbraw/zinc/11/68/19/375116819.db2.gz GJDYDKRAZAVJCC-UHFFFAOYSA-N 1 2 295.346 1.797 20 30 CDEDLO Cc1nc(C(=O)Nc2ccc[nH+]c2N(C)C)ccc1C#N ZINC000353500028 375550870 /nfs/dbraw/zinc/55/08/70/375550870.db2.gz VOWDVNDVCQEENT-UHFFFAOYSA-N 1 2 281.319 1.975 20 30 CDEDLO N#CCSCC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000053269164 375678409 /nfs/dbraw/zinc/67/84/09/375678409.db2.gz NTYJWWXGCGNNJL-UHFFFAOYSA-N 1 2 295.433 1.479 20 30 CDEDLO N#CCSCC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000053269164 375678415 /nfs/dbraw/zinc/67/84/15/375678415.db2.gz NTYJWWXGCGNNJL-UHFFFAOYSA-N 1 2 295.433 1.479 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000054392612 375750670 /nfs/dbraw/zinc/75/06/70/375750670.db2.gz PJIJNOATNMTEGQ-GFCCVEGCSA-N 1 2 299.374 1.141 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000054392612 375750674 /nfs/dbraw/zinc/75/06/74/375750674.db2.gz PJIJNOATNMTEGQ-GFCCVEGCSA-N 1 2 299.374 1.141 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)C[C@H]1CCCCO1 ZINC000328803790 375977636 /nfs/dbraw/zinc/97/76/36/375977636.db2.gz HDVMBDYHPZFCLS-ZIAGYGMSSA-N 1 2 299.415 1.122 20 30 CDEDLO C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CCOC[C@H](C)C1 ZINC000328683058 375927562 /nfs/dbraw/zinc/92/75/62/375927562.db2.gz PATIRZWVFUSPEO-MNOVXSKESA-N 1 2 264.329 1.421 20 30 CDEDLO C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CCOC[C@H](C)C1 ZINC000328683058 375927564 /nfs/dbraw/zinc/92/75/64/375927564.db2.gz PATIRZWVFUSPEO-MNOVXSKESA-N 1 2 264.329 1.421 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCC2(C)CC2)C1 ZINC000328770423 375951868 /nfs/dbraw/zinc/95/18/68/375951868.db2.gz ADRODHLRJCFTOZ-LLVKDONJSA-N 1 2 262.357 1.924 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@@]2(C)CCOC2)C1 ZINC000328867708 375991855 /nfs/dbraw/zinc/99/18/55/375991855.db2.gz OKKBPOYDHFSMFF-IUODEOHRSA-N 1 2 292.383 1.550 20 30 CDEDLO N#Cc1ccnc(N2CC[NH+](Cc3cccnc3N)CC2)c1 ZINC000295445152 376010526 /nfs/dbraw/zinc/01/05/26/376010526.db2.gz GTZHMCRLRTVWKC-UHFFFAOYSA-N 1 2 294.362 1.253 20 30 CDEDLO O=C(CN1CCCCCC1=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000328934192 376012581 /nfs/dbraw/zinc/01/25/81/376012581.db2.gz IWBJPRBAXUXYRE-LLVKDONJSA-N 1 2 290.367 1.626 20 30 CDEDLO O=C(CN1CCCCCC1=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000328934192 376012588 /nfs/dbraw/zinc/01/25/88/376012588.db2.gz IWBJPRBAXUXYRE-LLVKDONJSA-N 1 2 290.367 1.626 20 30 CDEDLO O=C(NCC1(CCO)CCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000328953634 376019646 /nfs/dbraw/zinc/01/96/46/376019646.db2.gz OEYWLDDCUKMGMO-LBPRGKRZSA-N 1 2 277.368 1.955 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420933627 376532002 /nfs/dbraw/zinc/53/20/02/376532002.db2.gz HUKCDSZXNMCVSR-KGLIPLIRSA-N 1 2 296.411 1.047 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420933627 376532004 /nfs/dbraw/zinc/53/20/04/376532004.db2.gz HUKCDSZXNMCVSR-KGLIPLIRSA-N 1 2 296.411 1.047 20 30 CDEDLO CC[C@H](NC(=O)c1ccc(C#N)c(C)n1)c1[nH]cc[nH+]1 ZINC000140571222 376885887 /nfs/dbraw/zinc/88/58/87/376885887.db2.gz IUIXYWGPMUSNLQ-NSHDSACASA-N 1 2 269.308 1.866 20 30 CDEDLO C[C@H](C(=O)N1CCCCCC1)[N@@H+](C)C[C@H](C)C#N ZINC000251091791 377558798 /nfs/dbraw/zinc/55/87/98/377558798.db2.gz KIUGGINHVBVYTD-CHWSQXEVSA-N 1 2 251.374 1.869 20 30 CDEDLO C[C@H](C(=O)N1CCCCCC1)[N@H+](C)C[C@H](C)C#N ZINC000251091791 377558803 /nfs/dbraw/zinc/55/88/03/377558803.db2.gz KIUGGINHVBVYTD-CHWSQXEVSA-N 1 2 251.374 1.869 20 30 CDEDLO Cn1cc[nH+]c1CN1CCN(c2ccccc2C#N)CC1 ZINC000069349440 378018364 /nfs/dbraw/zinc/01/83/64/378018364.db2.gz UATIRONXXOPCTI-UHFFFAOYSA-N 1 2 281.363 1.614 20 30 CDEDLO C#CC[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000290920878 378419589 /nfs/dbraw/zinc/41/95/89/378419589.db2.gz HOLANPOBOAFINY-UHFFFAOYSA-N 1 2 277.299 1.798 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N1CCn2c[nH+]cc2C1)OCC ZINC000290958065 378420425 /nfs/dbraw/zinc/42/04/25/378420425.db2.gz RDTKBFFPYGBLOB-CYBMUJFWSA-N 1 2 263.341 1.597 20 30 CDEDLO C=C[C@H](CO)Nc1nc(N[C@@H](C=C)CO)[nH+]cc1Cl ZINC000291162909 378434058 /nfs/dbraw/zinc/43/40/58/378434058.db2.gz QEOKELGVBGGOQM-BDAKNGLRSA-N 1 2 284.747 1.048 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000097062670 378483231 /nfs/dbraw/zinc/48/32/31/378483231.db2.gz JGBJQWKGWZACAL-AWEZNQCLSA-N 1 2 296.374 1.442 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000097062670 378483234 /nfs/dbraw/zinc/48/32/34/378483234.db2.gz JGBJQWKGWZACAL-AWEZNQCLSA-N 1 2 296.374 1.442 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCc1cccc(COC)c1 ZINC000293090738 378538750 /nfs/dbraw/zinc/53/87/50/378538750.db2.gz KHJHMAHHSIXYLK-UHFFFAOYSA-N 1 2 274.364 1.404 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCc1cccc(COC)c1 ZINC000293090738 378538754 /nfs/dbraw/zinc/53/87/54/378538754.db2.gz KHJHMAHHSIXYLK-UHFFFAOYSA-N 1 2 274.364 1.404 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N[C@H](C)c1cccs1 ZINC000293361027 378570733 /nfs/dbraw/zinc/57/07/33/378570733.db2.gz ZXWMZXBMPSEZCK-LLVKDONJSA-N 1 2 250.367 1.880 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N[C@H](C)c1cccs1 ZINC000293361027 378570736 /nfs/dbraw/zinc/57/07/36/378570736.db2.gz ZXWMZXBMPSEZCK-LLVKDONJSA-N 1 2 250.367 1.880 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)c2cnc(C)nc2C)C1=O ZINC000639132103 378768304 /nfs/dbraw/zinc/76/83/04/378768304.db2.gz FCVHVSRLFZRXHX-IUODEOHRSA-N 1 2 288.395 1.873 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)c2cnc(C)nc2C)C1=O ZINC000639132103 378768311 /nfs/dbraw/zinc/76/83/11/378768311.db2.gz FCVHVSRLFZRXHX-IUODEOHRSA-N 1 2 288.395 1.873 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000343533164 378924059 /nfs/dbraw/zinc/92/40/59/378924059.db2.gz PXWVAZFCPIDHSV-KBPBESRZSA-N 1 2 267.417 1.483 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc3c(C)cccn23)C1=O ZINC000343609021 378926220 /nfs/dbraw/zinc/92/62/20/378926220.db2.gz VZMAEZGCJZUXML-HNNXBMFYSA-N 1 2 298.390 1.861 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc3c(C)cccn23)C1=O ZINC000343609021 378926225 /nfs/dbraw/zinc/92/62/25/378926225.db2.gz VZMAEZGCJZUXML-HNNXBMFYSA-N 1 2 298.390 1.861 20 30 CDEDLO C=CCN1CC[C@H](N(C)Cc2c[nH+]c3c(C)cccn23)C1=O ZINC000343609021 378926227 /nfs/dbraw/zinc/92/62/27/378926227.db2.gz VZMAEZGCJZUXML-HNNXBMFYSA-N 1 2 298.390 1.861 20 30 CDEDLO CC(C)(C(=O)NCc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000278734274 194130180 /nfs/dbraw/zinc/13/01/80/194130180.db2.gz UNKZNVIEOMRGAT-UHFFFAOYSA-N 1 2 287.363 1.285 20 30 CDEDLO CC1(C)C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC[C@H]1O ZINC000446066117 250260400 /nfs/dbraw/zinc/26/04/00/250260400.db2.gz ICFFDBXNOXQKCP-ZIAGYGMSSA-N 1 2 287.363 1.177 20 30 CDEDLO CC1(C)C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC[C@H]1O ZINC000446066117 250260403 /nfs/dbraw/zinc/26/04/03/250260403.db2.gz ICFFDBXNOXQKCP-ZIAGYGMSSA-N 1 2 287.363 1.177 20 30 CDEDLO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1nnnn1-c1ccccc1 ZINC000174400267 379471830 /nfs/dbraw/zinc/47/18/30/379471830.db2.gz WWIFJEUFKOCTCZ-LLVKDONJSA-N 1 2 294.318 1.978 20 30 CDEDLO CN(C)[C@H](C(=O)NCC#Cc1ccccc1)c1c[nH+]cn1C ZINC000280854621 195003605 /nfs/dbraw/zinc/00/36/05/195003605.db2.gz WNBIRWOALAIBMG-INIZCTEOSA-N 1 2 296.374 1.191 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOCC12CCCC2 ZINC000367170665 285038657 /nfs/dbraw/zinc/03/86/57/285038657.db2.gz JWUUSDLWBRHRTK-CQSZACIVSA-N 1 2 293.411 1.640 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOCC12CCCC2 ZINC000367170665 285038662 /nfs/dbraw/zinc/03/86/62/285038662.db2.gz JWUUSDLWBRHRTK-CQSZACIVSA-N 1 2 293.411 1.640 20 30 CDEDLO N#Cc1ccc(C=CC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000492933731 253329247 /nfs/dbraw/zinc/32/92/47/253329247.db2.gz URGBFJKRPWSLAA-LHRNQBEKSA-N 1 2 292.342 1.968 20 30 CDEDLO N#Cc1ccc(C=CC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000492933731 253329249 /nfs/dbraw/zinc/32/92/49/253329249.db2.gz URGBFJKRPWSLAA-LHRNQBEKSA-N 1 2 292.342 1.968 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000192219602 533111400 /nfs/dbraw/zinc/11/14/00/533111400.db2.gz PCNZZWPJTSDFES-ZDUSSCGKSA-N 1 2 299.374 1.705 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000192219602 533111405 /nfs/dbraw/zinc/11/14/05/533111405.db2.gz PCNZZWPJTSDFES-ZDUSSCGKSA-N 1 2 299.374 1.705 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000347069500 533115409 /nfs/dbraw/zinc/11/54/09/533115409.db2.gz NERGIFNEDXNPBE-GXFFZTMASA-N 1 2 286.310 1.924 20 30 CDEDLO C=C(C)CN(C)C(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657777410 413023634 /nfs/dbraw/zinc/02/36/34/413023634.db2.gz ZVDCJFKELUQNIQ-UHFFFAOYSA-N 1 2 286.335 1.616 20 30 CDEDLO Cc1cc(N2CC[C@H](C)[S@@](=O)CC2)c(C#N)c[nH+]1 ZINC000333459170 291940448 /nfs/dbraw/zinc/94/04/48/291940448.db2.gz LGCCNHREGOXJLK-VOJFVSQTSA-N 1 2 263.366 1.609 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1[nH+]cnc2c1cnn2C ZINC000281700554 195342978 /nfs/dbraw/zinc/34/29/78/195342978.db2.gz HDDSENCYNHFNFF-JQWIXIFHSA-N 1 2 273.340 1.756 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000187386548 390548287 /nfs/dbraw/zinc/54/82/87/390548287.db2.gz BFVORRSFOFYLAL-RISCZKNCSA-N 1 2 287.363 1.653 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000187386548 390548292 /nfs/dbraw/zinc/54/82/92/390548292.db2.gz BFVORRSFOFYLAL-RISCZKNCSA-N 1 2 287.363 1.653 20 30 CDEDLO C[C@H](CS(C)(=O)=O)[N@H+](CCC(C)(C)C#N)C1CC1 ZINC000119655390 390548849 /nfs/dbraw/zinc/54/88/49/390548849.db2.gz HLIDRTBGWBUCEM-LLVKDONJSA-N 1 2 272.414 1.824 20 30 CDEDLO C[C@H](CS(C)(=O)=O)[N@@H+](CCC(C)(C)C#N)C1CC1 ZINC000119655390 390548854 /nfs/dbraw/zinc/54/88/54/390548854.db2.gz HLIDRTBGWBUCEM-LLVKDONJSA-N 1 2 272.414 1.824 20 30 CDEDLO N#Cc1c(F)cccc1C[NH+]1CCC(NC(N)=O)CC1 ZINC000335685079 390673318 /nfs/dbraw/zinc/67/33/18/390673318.db2.gz VHPOHEHFOLKVFO-UHFFFAOYSA-N 1 2 276.315 1.330 20 30 CDEDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)CCC(C)(C)C#N ZINC000120586142 390873511 /nfs/dbraw/zinc/87/35/11/390873511.db2.gz GXWXKRXVGCOYNQ-LLVKDONJSA-N 1 2 260.403 1.681 20 30 CDEDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)CCC(C)(C)C#N ZINC000120586142 390873512 /nfs/dbraw/zinc/87/35/12/390873512.db2.gz GXWXKRXVGCOYNQ-LLVKDONJSA-N 1 2 260.403 1.681 20 30 CDEDLO CCC[N@@H+](CC#N)CCCN1C(=O)c2ccccc2C1=O ZINC000118004554 390830566 /nfs/dbraw/zinc/83/05/66/390830566.db2.gz XVFZRVOBZNBKBQ-UHFFFAOYSA-N 1 2 285.347 1.908 20 30 CDEDLO CCC[N@H+](CC#N)CCCN1C(=O)c2ccccc2C1=O ZINC000118004554 390830571 /nfs/dbraw/zinc/83/05/71/390830571.db2.gz XVFZRVOBZNBKBQ-UHFFFAOYSA-N 1 2 285.347 1.908 20 30 CDEDLO N#CC1(C(=O)N2CC[NH+](Cc3ccccn3)CC2)CCC1 ZINC000134530359 390939036 /nfs/dbraw/zinc/93/90/36/390939036.db2.gz YJDMJNUSASYUJF-UHFFFAOYSA-N 1 2 284.363 1.420 20 30 CDEDLO C[C@H](O[NH+]=C(N)CCO)C(=O)Nc1ccc(Cl)cc1 ZINC000121417490 390885714 /nfs/dbraw/zinc/88/57/14/390885714.db2.gz QKJSLRGXONXJIJ-QMMMGPOBSA-N 1 2 285.731 1.338 20 30 CDEDLO CCN(CC)c1ncc(C[NH+]2CCN(CC#N)CC2)s1 ZINC000092936065 390898010 /nfs/dbraw/zinc/89/80/10/390898010.db2.gz PXKQCBXFLBQUFS-UHFFFAOYSA-N 1 2 293.440 1.630 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156276637 390921508 /nfs/dbraw/zinc/92/15/08/390921508.db2.gz WGOIQQCGNITHQY-STQMWFEESA-N 1 2 254.374 1.520 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156276637 390921509 /nfs/dbraw/zinc/92/15/09/390921509.db2.gz WGOIQQCGNITHQY-STQMWFEESA-N 1 2 254.374 1.520 20 30 CDEDLO NC(=[NH+]OCCCO)c1cccc(C(F)(F)F)c1 ZINC000127384142 390922810 /nfs/dbraw/zinc/92/28/10/390922810.db2.gz PFKQUPJGZLJVCW-UHFFFAOYSA-N 1 2 262.231 1.725 20 30 CDEDLO O=C(CCc1[nH]cc[nH+]1)N1CCC[C@H]1C(=O)NC1CC1 ZINC000329571913 391018408 /nfs/dbraw/zinc/01/84/08/391018408.db2.gz UVTLZKHUSKRONX-NSHDSACASA-N 1 2 276.340 1.452 20 30 CDEDLO CC(C)[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CCO1 ZINC000329593013 391022274 /nfs/dbraw/zinc/02/22/74/391022274.db2.gz CBEJBDCTWLONRU-RISCZKNCSA-N 1 2 292.383 1.538 20 30 CDEDLO CC(C)[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CCO1 ZINC000329593013 391022276 /nfs/dbraw/zinc/02/22/76/391022276.db2.gz CBEJBDCTWLONRU-RISCZKNCSA-N 1 2 292.383 1.538 20 30 CDEDLO C#C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C(C)C ZINC000491404945 391112749 /nfs/dbraw/zinc/11/27/49/391112749.db2.gz FPWRRBFWBPYPLP-LSDHHAIUSA-N 1 2 293.411 1.150 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C1(C#N)CCC1)CCC2 ZINC000334436851 391115521 /nfs/dbraw/zinc/11/55/21/391115521.db2.gz HJKSWNDJJRWXIJ-LBPRGKRZSA-N 1 2 272.352 1.879 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2CC)CC1 ZINC000491426228 391123126 /nfs/dbraw/zinc/12/31/26/391123126.db2.gz FMTRZGKIBIKBKS-ZDUSSCGKSA-N 1 2 275.400 1.567 20 30 CDEDLO CN(CCC#N)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000373709617 391128346 /nfs/dbraw/zinc/12/83/46/391128346.db2.gz BAPNBRRJNNVRDQ-CYBMUJFWSA-N 1 2 265.357 1.002 20 30 CDEDLO CN(CCC#N)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000373709617 391128347 /nfs/dbraw/zinc/12/83/47/391128347.db2.gz BAPNBRRJNNVRDQ-CYBMUJFWSA-N 1 2 265.357 1.002 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NCCc1cccs1 ZINC000265165348 391152233 /nfs/dbraw/zinc/15/22/33/391152233.db2.gz XCJHHQATMZDEGA-RYUDHWBXSA-N 1 2 279.409 1.887 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NCCc1cccs1 ZINC000265165348 391152234 /nfs/dbraw/zinc/15/22/34/391152234.db2.gz XCJHHQATMZDEGA-RYUDHWBXSA-N 1 2 279.409 1.887 20 30 CDEDLO Cn1ncnc1CO[NH+]=C(N)c1cccc(C(F)(F)F)c1 ZINC000177670114 391173746 /nfs/dbraw/zinc/17/37/46/391173746.db2.gz HPKMJMUSVBGOMM-UHFFFAOYSA-N 1 2 299.256 1.671 20 30 CDEDLO CCCCNC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(OC)cc1 ZINC000178140825 391182208 /nfs/dbraw/zinc/18/22/08/391182208.db2.gz VJESTVDKLDDGMC-LLVKDONJSA-N 1 2 293.367 1.637 20 30 CDEDLO C=CCCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376199195 391217277 /nfs/dbraw/zinc/21/72/77/391217277.db2.gz RIGIBOFBWGDTGI-QWHCGFSZSA-N 1 2 252.358 1.274 20 30 CDEDLO C=CCOCC[N@@H+](C)Cc1nc([C@@H](C)OCC)no1 ZINC000339006319 391239767 /nfs/dbraw/zinc/23/97/67/391239767.db2.gz DBWZIRYOMVLASE-LLVKDONJSA-N 1 2 269.345 1.802 20 30 CDEDLO C=CCOCC[N@H+](C)Cc1nc([C@@H](C)OCC)no1 ZINC000339006319 391239770 /nfs/dbraw/zinc/23/97/70/391239770.db2.gz DBWZIRYOMVLASE-LLVKDONJSA-N 1 2 269.345 1.802 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000375902835 391205248 /nfs/dbraw/zinc/20/52/48/391205248.db2.gz GQDCCBXYHISWQA-JSGCOSHPSA-N 1 2 279.384 1.248 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000375902835 391205253 /nfs/dbraw/zinc/20/52/53/391205253.db2.gz GQDCCBXYHISWQA-JSGCOSHPSA-N 1 2 279.384 1.248 20 30 CDEDLO CN(CCC#N)c1ccc(C[NH2+]CC(F)(F)CO)cc1 ZINC000183872690 391272442 /nfs/dbraw/zinc/27/24/42/391272442.db2.gz UOENHEMWSJEBMI-UHFFFAOYSA-N 1 2 283.322 1.754 20 30 CDEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](O)C2)c(C#N)c1C ZINC000049773455 391343516 /nfs/dbraw/zinc/34/35/16/391343516.db2.gz BFYOMWNBPSYFIJ-NSHDSACASA-N 1 2 293.392 1.632 20 30 CDEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](O)C2)c(C#N)c1C ZINC000049773455 391343517 /nfs/dbraw/zinc/34/35/17/391343517.db2.gz BFYOMWNBPSYFIJ-NSHDSACASA-N 1 2 293.392 1.632 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000346430785 391354030 /nfs/dbraw/zinc/35/40/30/391354030.db2.gz ZKGPPQLBMVRGEK-RDBSUJKOSA-N 1 2 289.379 1.717 20 30 CDEDLO N#CC1(C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000328965474 391400321 /nfs/dbraw/zinc/40/03/21/391400321.db2.gz MJURLRCWKOYFGF-JHJVBQTASA-N 1 2 250.342 1.152 20 30 CDEDLO N#CC1(C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000328965474 391400323 /nfs/dbraw/zinc/40/03/23/391400323.db2.gz MJURLRCWKOYFGF-JHJVBQTASA-N 1 2 250.342 1.152 20 30 CDEDLO O=C(C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)NCC1CC1 ZINC000328964828 391400362 /nfs/dbraw/zinc/40/03/62/391400362.db2.gz MALGWZWUAUNAPO-BFHYXJOUSA-N 1 2 282.384 1.215 20 30 CDEDLO O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)NCC1CC1 ZINC000328964828 391400363 /nfs/dbraw/zinc/40/03/63/391400363.db2.gz MALGWZWUAUNAPO-BFHYXJOUSA-N 1 2 282.384 1.215 20 30 CDEDLO C=CCN(C)C(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000348928565 391465504 /nfs/dbraw/zinc/46/55/04/391465504.db2.gz SJERRPJWXCGTEE-UHFFFAOYSA-N 1 2 298.346 1.133 20 30 CDEDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411617938 391489675 /nfs/dbraw/zinc/48/96/75/391489675.db2.gz MJMSASAZCITTGG-QWHCGFSZSA-N 1 2 280.368 1.459 20 30 CDEDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCC1(C#N)CCCCC1 ZINC000411617938 391489677 /nfs/dbraw/zinc/48/96/77/391489677.db2.gz MJMSASAZCITTGG-QWHCGFSZSA-N 1 2 280.368 1.459 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000349238542 391538141 /nfs/dbraw/zinc/53/81/41/391538141.db2.gz KHFWGJKLEVQSSN-MJVIPROJSA-N 1 2 278.356 1.768 20 30 CDEDLO C=CC[C@H](CC)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000358991901 391570942 /nfs/dbraw/zinc/57/09/42/391570942.db2.gz NCUPPWYNHNUAMF-IHRRRGAJSA-N 1 2 283.416 1.750 20 30 CDEDLO CCCC[N@H+](CC(N)=O)Cc1ccc(C#N)cc1OC ZINC000120647452 391654084 /nfs/dbraw/zinc/65/40/84/391654084.db2.gz WQXJKKFHOXLUJJ-UHFFFAOYSA-N 1 2 275.352 1.654 20 30 CDEDLO CCCC[N@@H+](CC(N)=O)Cc1ccc(C#N)cc1OC ZINC000120647452 391654096 /nfs/dbraw/zinc/65/40/96/391654096.db2.gz WQXJKKFHOXLUJJ-UHFFFAOYSA-N 1 2 275.352 1.654 20 30 CDEDLO C=C(C)CN(C)c1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413226096 391718747 /nfs/dbraw/zinc/71/87/47/391718747.db2.gz CWPLOKMXNUHJHG-CHWSQXEVSA-N 1 2 276.384 1.696 20 30 CDEDLO C=C(C)CN(C)c1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413226096 391718749 /nfs/dbraw/zinc/71/87/49/391718749.db2.gz CWPLOKMXNUHJHG-CHWSQXEVSA-N 1 2 276.384 1.696 20 30 CDEDLO CCO[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccccc1 ZINC000519645828 391680366 /nfs/dbraw/zinc/68/03/66/391680366.db2.gz GDCRWACOUVEZEG-ZBFHGGJFSA-N 1 2 289.379 1.724 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H]1CCO[C@H](C(C)C)C1)C(=O)OC ZINC000361106710 391681430 /nfs/dbraw/zinc/68/14/30/391681430.db2.gz GIJGPVCHRDAVMN-IHRRRGAJSA-N 1 2 285.384 1.524 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000192238028 391714905 /nfs/dbraw/zinc/71/49/05/391714905.db2.gz LUVOWPFWKOWNEP-STQMWFEESA-N 1 2 256.349 1.918 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000192238028 391714909 /nfs/dbraw/zinc/71/49/09/391714909.db2.gz LUVOWPFWKOWNEP-STQMWFEESA-N 1 2 256.349 1.918 20 30 CDEDLO Cn1cnc(CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000329070864 391748140 /nfs/dbraw/zinc/74/81/40/391748140.db2.gz NOOYSIALFXJPMX-SNVBAGLBSA-N 1 2 289.343 1.179 20 30 CDEDLO N#Cc1ccnc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c1 ZINC000367443531 391731917 /nfs/dbraw/zinc/73/19/17/391731917.db2.gz RSCSVMLYOUTODB-CQSZACIVSA-N 1 2 283.335 1.626 20 30 CDEDLO C[C@H]([C@H](C)[N@H+](C)Cc1cc(C#N)n(C)c1)S(C)(=O)=O ZINC000191366530 130227277 /nfs/dbraw/zinc/22/72/77/130227277.db2.gz OYGYSOPCXRWNNT-WDEREUQCSA-N 1 2 283.397 1.150 20 30 CDEDLO C[C@H]([C@H](C)[N@@H+](C)Cc1cc(C#N)n(C)c1)S(C)(=O)=O ZINC000191366530 130227280 /nfs/dbraw/zinc/22/72/80/130227280.db2.gz OYGYSOPCXRWNNT-WDEREUQCSA-N 1 2 283.397 1.150 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000192233733 130399449 /nfs/dbraw/zinc/39/94/49/130399449.db2.gz DRPISHKZFJUOOV-UHFFFAOYSA-N 1 2 281.699 1.752 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000192233733 130399454 /nfs/dbraw/zinc/39/94/54/130399454.db2.gz DRPISHKZFJUOOV-UHFFFAOYSA-N 1 2 281.699 1.752 20 30 CDEDLO Cc1cc(C(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)c(C)n1C ZINC000646031272 391917725 /nfs/dbraw/zinc/91/77/25/391917725.db2.gz ZOKRAQAVECCRAU-HNNXBMFYSA-N 1 2 275.352 1.175 20 30 CDEDLO Cc1cc(C(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)c(C)n1C ZINC000646031272 391917729 /nfs/dbraw/zinc/91/77/29/391917729.db2.gz ZOKRAQAVECCRAU-HNNXBMFYSA-N 1 2 275.352 1.175 20 30 CDEDLO Cc1cc(C(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)c(C)[nH]1 ZINC000646032040 391918775 /nfs/dbraw/zinc/91/87/75/391918775.db2.gz VOUKHLICMZVSAG-AWEZNQCLSA-N 1 2 261.325 1.165 20 30 CDEDLO Cc1cc(C(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)c(C)[nH]1 ZINC000646032040 391918783 /nfs/dbraw/zinc/91/87/83/391918783.db2.gz VOUKHLICMZVSAG-AWEZNQCLSA-N 1 2 261.325 1.165 20 30 CDEDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000496579730 391923765 /nfs/dbraw/zinc/92/37/65/391923765.db2.gz DSAILJCAWPBGPV-NSHDSACASA-N 1 2 294.380 1.725 20 30 CDEDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1nc(C#N)cs1 ZINC000496579730 391923769 /nfs/dbraw/zinc/92/37/69/391923769.db2.gz DSAILJCAWPBGPV-NSHDSACASA-N 1 2 294.380 1.725 20 30 CDEDLO CCOC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000496921889 391930166 /nfs/dbraw/zinc/93/01/66/391930166.db2.gz FZWZPHDSCBTMDK-LBPRGKRZSA-N 1 2 274.324 1.326 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000342833502 392040932 /nfs/dbraw/zinc/04/09/32/392040932.db2.gz BMBQZKGKNYRHOM-UHFFFAOYSA-N 1 2 259.309 1.903 20 30 CDEDLO CC#CC[C@H](CO)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000646397310 392408336 /nfs/dbraw/zinc/40/83/36/392408336.db2.gz KUGZNZVQJJAIRK-GFCCVEGCSA-N 1 2 261.325 1.594 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccn(C)n1 ZINC000459796982 392506486 /nfs/dbraw/zinc/50/64/86/392506486.db2.gz RSLJMCZMCNKQDJ-NEPJUHHUSA-N 1 2 297.362 1.970 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000430204802 393093781 /nfs/dbraw/zinc/09/37/81/393093781.db2.gz ICGTTWXCTMDYGQ-SNVBAGLBSA-N 1 2 284.406 1.486 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000430204802 393093788 /nfs/dbraw/zinc/09/37/88/393093788.db2.gz ICGTTWXCTMDYGQ-SNVBAGLBSA-N 1 2 284.406 1.486 20 30 CDEDLO COc1cc[nH+]cc1CNc1nccc(C#N)c1[N+](=O)[O-] ZINC000431427048 393109206 /nfs/dbraw/zinc/10/92/06/393109206.db2.gz LPAQALDZHILVJI-UHFFFAOYSA-N 1 2 285.263 1.299 20 30 CDEDLO N#Cc1ccc(NC(=O)COc2cc[nH+]cc2)cc1 ZINC000431486785 393111193 /nfs/dbraw/zinc/11/11/93/393111193.db2.gz XPIWJWVXFXGHID-UHFFFAOYSA-N 1 2 253.261 1.971 20 30 CDEDLO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1nncn1C ZINC000230936825 140214899 /nfs/dbraw/zinc/21/48/99/140214899.db2.gz AUKIQHAYDJRQKX-SECBINFHSA-N 1 2 259.288 1.677 20 30 CDEDLO CN(Cc1[nH+]ccn1C)c1nccc(C#N)c1Cl ZINC000234307958 140229840 /nfs/dbraw/zinc/22/98/40/140229840.db2.gz GVBQQOCUUBTBJB-UHFFFAOYSA-N 1 2 261.716 1.977 20 30 CDEDLO CCN1CC[N@H+](Cc2ccc(C#N)cc2)[C@H](C)C1=O ZINC000336108710 151275599 /nfs/dbraw/zinc/27/55/99/151275599.db2.gz IQNLRHACUOJYQZ-GFCCVEGCSA-N 1 2 257.337 1.611 20 30 CDEDLO CCN1CC[N@@H+](Cc2ccc(C#N)cc2)[C@H](C)C1=O ZINC000336108710 151275601 /nfs/dbraw/zinc/27/56/01/151275601.db2.gz IQNLRHACUOJYQZ-GFCCVEGCSA-N 1 2 257.337 1.611 20 30 CDEDLO N#Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccccc2)o1 ZINC000343160261 152053801 /nfs/dbraw/zinc/05/38/01/152053801.db2.gz LDKVAGZVNAVJID-CYBMUJFWSA-N 1 2 255.277 1.467 20 30 CDEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1CC1(C)C ZINC000343761005 152294015 /nfs/dbraw/zinc/29/40/15/152294015.db2.gz BYTBYHQTMBCWHO-LBPRGKRZSA-N 1 2 293.392 1.457 20 30 CDEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1CC1(C)C ZINC000343761005 152294017 /nfs/dbraw/zinc/29/40/17/152294017.db2.gz BYTBYHQTMBCWHO-LBPRGKRZSA-N 1 2 293.392 1.457 20 30 CDEDLO CN1CCO[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC000353751790 156059774 /nfs/dbraw/zinc/05/97/74/156059774.db2.gz KGKMGGFQABXFNX-CABCVRRESA-N 1 2 275.327 1.212 20 30 CDEDLO CN1CCO[C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC000353751790 156059778 /nfs/dbraw/zinc/05/97/78/156059778.db2.gz KGKMGGFQABXFNX-CABCVRRESA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3ccc(C#N)cc3F)C[C@H]21 ZINC000353751790 156059781 /nfs/dbraw/zinc/05/97/81/156059781.db2.gz KGKMGGFQABXFNX-CABCVRRESA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3ccc(C#N)cc3F)C[C@H]21 ZINC000353751790 156059783 /nfs/dbraw/zinc/05/97/83/156059783.db2.gz KGKMGGFQABXFNX-CABCVRRESA-N 1 2 275.327 1.212 20 30 CDEDLO Cn1c[nH+]c2c1CCN(Cc1ccc(F)cc1C#N)C2 ZINC000364012256 159365108 /nfs/dbraw/zinc/36/51/08/159365108.db2.gz PRGUEXWIYVVWBM-UHFFFAOYSA-N 1 2 270.311 1.989 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2c(C3CC3)cnn2C)nn1 ZINC000657495731 414394359 /nfs/dbraw/zinc/39/43/59/414394359.db2.gz LBQUWTUMKJLWLC-UHFFFAOYSA-N 1 2 272.356 1.365 20 30 CDEDLO Cc1nnc(NCC(C)(C)[NH+]2CCOCC2)c(C#N)c1C ZINC000043532788 175062544 /nfs/dbraw/zinc/06/25/44/175062544.db2.gz UGGMEMSBPLWORC-UHFFFAOYSA-N 1 2 289.383 1.488 20 30 CDEDLO C#CC[NH+]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000044756588 175246100 /nfs/dbraw/zinc/24/61/00/175246100.db2.gz UBMMFHRIWZAEBE-UHFFFAOYSA-N 1 2 299.334 1.153 20 30 CDEDLO C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000078821472 177393485 /nfs/dbraw/zinc/39/34/85/177393485.db2.gz VYWCHUXJQSMLDG-CHWSQXEVSA-N 1 2 252.358 1.296 20 30 CDEDLO N#CCCN(CCOC1CCC1)CC[NH+]1CCOCC1 ZINC000347043113 226026389 /nfs/dbraw/zinc/02/63/89/226026389.db2.gz CZEIVWVKMXXNBA-UHFFFAOYSA-N 1 2 281.400 1.103 20 30 CDEDLO Cc1nccc(NC(=O)N(C)Cc2[nH+]ccn2C)n1 ZINC000330122789 228044079 /nfs/dbraw/zinc/04/40/79/228044079.db2.gz KLQAITAJFVNXLU-UHFFFAOYSA-N 1 2 260.301 1.196 20 30 CDEDLO Cc1nc(C[N@H+]2CCCN(C(=O)[C@@H](C)C#N)CC2)cs1 ZINC000331701333 228119378 /nfs/dbraw/zinc/11/93/78/228119378.db2.gz ZQGFKQMALYQVTN-NSHDSACASA-N 1 2 292.408 1.646 20 30 CDEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)[C@@H](C)C#N)CC2)cs1 ZINC000331701333 228119380 /nfs/dbraw/zinc/11/93/80/228119380.db2.gz ZQGFKQMALYQVTN-NSHDSACASA-N 1 2 292.408 1.646 20 30 CDEDLO CCCNC(=O)CO[NH+]=C(N)Cc1ccccc1Cl ZINC000058497923 260227487 /nfs/dbraw/zinc/22/74/87/260227487.db2.gz XMNLBJAPJNKUSK-UHFFFAOYSA-N 1 2 283.759 1.698 20 30 CDEDLO CC[C@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)C[C@H](C)O1 ZINC000408127693 260267013 /nfs/dbraw/zinc/26/70/13/260267013.db2.gz FUSHNGVZZRNRRN-KBPBESRZSA-N 1 2 293.411 1.828 20 30 CDEDLO CC[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C[C@H](C)O1 ZINC000408127693 260267014 /nfs/dbraw/zinc/26/70/14/260267014.db2.gz FUSHNGVZZRNRRN-KBPBESRZSA-N 1 2 293.411 1.828 20 30 CDEDLO Cn1cc(N2CC[N@H+](CC(C)(C)CCC#N)CC2=O)cn1 ZINC000093530684 260519797 /nfs/dbraw/zinc/51/97/97/260519797.db2.gz MTQQRNJJXXLGHP-UHFFFAOYSA-N 1 2 289.383 1.399 20 30 CDEDLO Cn1cc(N2CC[N@@H+](CC(C)(C)CCC#N)CC2=O)cn1 ZINC000093530684 260519798 /nfs/dbraw/zinc/51/97/98/260519798.db2.gz MTQQRNJJXXLGHP-UHFFFAOYSA-N 1 2 289.383 1.399 20 30 CDEDLO C=CCCOCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000155092293 260759557 /nfs/dbraw/zinc/75/95/57/260759557.db2.gz URHPTCLQBBJXNH-GFCCVEGCSA-N 1 2 263.341 1.154 20 30 CDEDLO C#C[C@@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)C(C)C ZINC000490994800 261285340 /nfs/dbraw/zinc/28/53/40/261285340.db2.gz FRNIZYNDIALXIS-CQSZACIVSA-N 1 2 269.348 1.959 20 30 CDEDLO CC(C)(C)OC(=O)N1CC([NH+]2CCC(C#N)CC2)C1 ZINC000497301743 262137409 /nfs/dbraw/zinc/13/74/09/262137409.db2.gz AVTBTMFCPZFREN-UHFFFAOYSA-N 1 2 265.357 1.841 20 30 CDEDLO CO/N=C/C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000283548511 263083247 /nfs/dbraw/zinc/08/32/47/263083247.db2.gz UXAWPTNLJIXSFJ-ZECSTPGPSA-N 1 2 281.381 1.586 20 30 CDEDLO Cc1ncsc1CCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284486902 263087011 /nfs/dbraw/zinc/08/70/11/263087011.db2.gz SECKNCWBUBMXKU-VIFPVBQESA-N 1 2 255.343 1.462 20 30 CDEDLO COCc1cccc(CO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000284477520 263087222 /nfs/dbraw/zinc/08/72/22/263087222.db2.gz RQABELFUSLCJKA-CYBMUJFWSA-N 1 2 264.325 1.801 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cncc1F)C(=O)N(C)CCC#N ZINC000285786291 263095651 /nfs/dbraw/zinc/09/56/51/263095651.db2.gz SUMPOQCSXGJUAD-VHSXEESVSA-N 1 2 296.321 1.771 20 30 CDEDLO C#CCSCCNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000120590003 263287732 /nfs/dbraw/zinc/28/77/32/263287732.db2.gz GSUYHIVAGJOMSC-UHFFFAOYSA-N 1 2 280.397 1.281 20 30 CDEDLO CC#CCN(C)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000341073656 263323863 /nfs/dbraw/zinc/32/38/63/263323863.db2.gz SBNGHHDJOXFSMH-ZIAGYGMSSA-N 1 2 271.364 1.636 20 30 CDEDLO COCC1(C#N)CC[NH+]([C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC000341981307 263370185 /nfs/dbraw/zinc/37/01/85/263370185.db2.gz BPJZYEXYNADHEX-LBPRGKRZSA-N 1 2 282.384 1.969 20 30 CDEDLO CCN(CCC#N)C(=O)C[NH+]1CCC(C#N)(COC)CC1 ZINC000341988261 263380774 /nfs/dbraw/zinc/38/07/74/263380774.db2.gz IEZLFWRWDGUWQF-UHFFFAOYSA-N 1 2 292.383 1.001 20 30 CDEDLO C[C@@H](C#N)C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000342073093 263384941 /nfs/dbraw/zinc/38/49/41/263384941.db2.gz VGIPJLCRYHXODS-JTQLQIEISA-N 1 2 254.293 1.853 20 30 CDEDLO CCc1nc(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)co1 ZINC000330795484 264040062 /nfs/dbraw/zinc/04/00/62/264040062.db2.gz DNTZKIKMUCFMCZ-CYBMUJFWSA-N 1 2 295.383 1.898 20 30 CDEDLO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2cn[nH]c2C)C1 ZINC000330859943 264055494 /nfs/dbraw/zinc/05/54/94/264055494.db2.gz UPMPUTCFFRXUGA-CYBMUJFWSA-N 1 2 279.388 1.548 20 30 CDEDLO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2cn[nH]c2C)C1 ZINC000330969149 264091929 /nfs/dbraw/zinc/09/19/29/264091929.db2.gz DYSMHTXQZUQSQS-GFCCVEGCSA-N 1 2 279.388 1.454 20 30 CDEDLO CC[N@H+]1CCC[C@H](CNC(=O)NCc2cn[nH]c2C)C1 ZINC000330969149 264091932 /nfs/dbraw/zinc/09/19/32/264091932.db2.gz DYSMHTXQZUQSQS-GFCCVEGCSA-N 1 2 279.388 1.454 20 30 CDEDLO N#CCCNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000331137155 264135015 /nfs/dbraw/zinc/13/50/15/264135015.db2.gz IWKQNJXPZNAQCG-UHFFFAOYSA-N 1 2 262.313 1.225 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000334002621 264232686 /nfs/dbraw/zinc/23/26/86/264232686.db2.gz DMQWYSHMEQECFQ-NWDGAFQWSA-N 1 2 294.399 1.625 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000334002621 264232689 /nfs/dbraw/zinc/23/26/89/264232689.db2.gz DMQWYSHMEQECFQ-NWDGAFQWSA-N 1 2 294.399 1.625 20 30 CDEDLO C=C(CC)C[N@@H+]1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000356445646 266116050 /nfs/dbraw/zinc/11/60/50/266116050.db2.gz JLQIFVMEFGOFIS-VXGBXAGGSA-N 1 2 269.341 1.379 20 30 CDEDLO C=C(CC)C[N@H+]1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000356445646 266116052 /nfs/dbraw/zinc/11/60/52/266116052.db2.gz JLQIFVMEFGOFIS-VXGBXAGGSA-N 1 2 269.341 1.379 20 30 CDEDLO C=CC[N@H+](CC(=O)Nc1nnc(-c2ccco2)o1)C1CC1 ZINC000357550013 266320086 /nfs/dbraw/zinc/32/00/86/266320086.db2.gz GLWFRKRWBMLEDH-UHFFFAOYSA-N 1 2 288.307 1.919 20 30 CDEDLO C=CC[N@@H+](CC(=O)Nc1nnc(-c2ccco2)o1)C1CC1 ZINC000357550013 266320088 /nfs/dbraw/zinc/32/00/88/266320088.db2.gz GLWFRKRWBMLEDH-UHFFFAOYSA-N 1 2 288.307 1.919 20 30 CDEDLO N#Cc1cc(NCc2cc[nH+]c(N3CCCCC3)c2)ncn1 ZINC000527135046 268173454 /nfs/dbraw/zinc/17/34/54/268173454.db2.gz VZYREJWSAMKKTC-UHFFFAOYSA-N 1 2 294.362 1.768 20 30 CDEDLO CC(C)[C@H](C(=O)Nc1ncn(C)n1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000329347446 280189830 /nfs/dbraw/zinc/18/98/30/280189830.db2.gz DGVMAPZKGSWTIY-IJLUTSLNSA-N 1 2 295.387 1.537 20 30 CDEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCC(F)(C#N)CC1 ZINC000352484749 289347056 /nfs/dbraw/zinc/34/70/56/289347056.db2.gz SUPDNCJKDDCLPY-LLVKDONJSA-N 1 2 267.348 1.761 20 30 CDEDLO Cc1nc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)ccc1C#N ZINC000548655726 289911532 /nfs/dbraw/zinc/91/15/32/289911532.db2.gz JMNBVTFRGRDYJI-GFCCVEGCSA-N 1 2 281.319 1.203 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)Nc1cc[nH+]cc1O ZINC000551918352 290025779 /nfs/dbraw/zinc/02/57/79/290025779.db2.gz ZXERLJRVSQOXII-UHFFFAOYSA-N 1 2 254.249 1.037 20 30 CDEDLO CC[C@@H]1C[NH+](Cc2cnc3c(C#N)cnn3c2)C[C@@H](CC)O1 ZINC000563150621 293291292 /nfs/dbraw/zinc/29/12/92/293291292.db2.gz PMIWYKYVIGILCO-HUUCEWRRSA-N 1 2 299.378 1.990 20 30 CDEDLO CC(C)(NC(=O)COc1ccccc1C#N)c1[nH]cc[nH+]1 ZINC000563286032 293335297 /nfs/dbraw/zinc/33/52/97/293335297.db2.gz JXLXMNGGTAMWCV-UHFFFAOYSA-N 1 2 284.319 1.712 20 30 CDEDLO Cn1cc(N2CCC[C@H]([NH2+][C@H]3CCC[C@@H]3C#N)C2=O)cn1 ZINC000329615644 294248840 /nfs/dbraw/zinc/24/88/40/294248840.db2.gz SHBVLTWWIJTUSN-XBFCOCLRSA-N 1 2 287.367 1.197 20 30 CDEDLO O=C(N[C@@H]1CCCOCC1)N1CCn2cc[nH+]c2C1 ZINC000329442145 295380170 /nfs/dbraw/zinc/38/01/70/295380170.db2.gz KIFCELALDQZCJN-LLVKDONJSA-N 1 2 264.329 1.182 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000279135977 297129305 /nfs/dbraw/zinc/12/93/05/297129305.db2.gz XFVDWYUUUINTRF-CZUORRHYSA-N 1 2 299.374 1.774 20 30 CDEDLO C[C@@H]1COCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000279135977 297129308 /nfs/dbraw/zinc/12/93/08/297129308.db2.gz XFVDWYUUUINTRF-CZUORRHYSA-N 1 2 299.374 1.774 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1cncs1 ZINC000563219943 327980037 /nfs/dbraw/zinc/98/00/37/327980037.db2.gz CHTHNBXUPKPJER-LBPRGKRZSA-N 1 2 266.370 1.036 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1N(c2cncc(C#N)n2)CC1(C)C ZINC000566161397 316497625 /nfs/dbraw/zinc/49/76/25/316497625.db2.gz YUFMRORROMSYKK-LBPRGKRZSA-N 1 2 268.324 1.669 20 30 CDEDLO C=CCN1CC(=O)N([C@H]2CCN(c3cccc[nH+]3)C2)C1=O ZINC000373882588 328000727 /nfs/dbraw/zinc/00/07/27/328000727.db2.gz QHKUYOFGTBVFJQ-LBPRGKRZSA-N 1 2 286.335 1.111 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000412358475 328109624 /nfs/dbraw/zinc/10/96/24/328109624.db2.gz FPABJVOWGCFWHC-CZUORRHYSA-N 1 2 296.411 1.590 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000412358475 328109625 /nfs/dbraw/zinc/10/96/25/328109625.db2.gz FPABJVOWGCFWHC-CZUORRHYSA-N 1 2 296.411 1.590 20 30 CDEDLO Cc1ncc(CO)c(/C=[NH+]/CCCO[C@H]2CCOC2)c1O ZINC000268080911 328182123 /nfs/dbraw/zinc/18/21/23/328182123.db2.gz GFVGRBIQRMIHQR-MJOIQJIUSA-N 1 2 294.351 1.202 20 30 CDEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)NC[C@@H]1CCCO1 ZINC000177032474 329178369 /nfs/dbraw/zinc/17/83/69/329178369.db2.gz RIQITSKMFXKTQG-HNNXBMFYSA-N 1 2 295.427 1.933 20 30 CDEDLO NC(CCO)=[NH+]OCc1nc(Cl)ccc1Cl ZINC000275582593 328215490 /nfs/dbraw/zinc/21/54/90/328215490.db2.gz ZMAWUKHCSIETEM-UHFFFAOYSA-N 1 2 264.112 1.560 20 30 CDEDLO C[C@@H](NC(=O)CO[NH+]=C(N)[C@H]1CCCO1)c1cccs1 ZINC000284596529 328246235 /nfs/dbraw/zinc/24/62/35/328246235.db2.gz YHEPESJCKYGJIO-NXEZZACHSA-N 1 2 297.380 1.393 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000181290849 323232415 /nfs/dbraw/zinc/23/24/15/323232415.db2.gz LYFMEPZOHOWGEE-GFCCVEGCSA-N 1 2 288.269 1.922 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000181290849 323232419 /nfs/dbraw/zinc/23/24/19/323232419.db2.gz LYFMEPZOHOWGEE-GFCCVEGCSA-N 1 2 288.269 1.922 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000584180837 327060523 /nfs/dbraw/zinc/06/05/23/327060523.db2.gz GCGAOTRRZPLUGT-GJZGRUSLSA-N 1 2 276.384 1.227 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000584180837 327060525 /nfs/dbraw/zinc/06/05/25/327060525.db2.gz GCGAOTRRZPLUGT-GJZGRUSLSA-N 1 2 276.384 1.227 20 30 CDEDLO CN(C(=O)C[NH2+]C[C@@H](C#N)CCC#N)C1CCCCC1 ZINC000558674817 327113361 /nfs/dbraw/zinc/11/33/61/327113361.db2.gz NLVBHMAZJKARPN-CYBMUJFWSA-N 1 2 276.384 1.811 20 30 CDEDLO CC(C)(C(=O)N1CCC(CCC#N)CC1)[NH+]1CCOCC1 ZINC000582361865 328971358 /nfs/dbraw/zinc/97/13/58/328971358.db2.gz OQSJQERKJZHVPH-UHFFFAOYSA-N 1 2 293.411 1.640 20 30 CDEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)NC[C@@H]1CCCO1 ZINC000177032474 329178367 /nfs/dbraw/zinc/17/83/67/329178367.db2.gz RIQITSKMFXKTQG-HNNXBMFYSA-N 1 2 295.427 1.933 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCC1CCOCC1 ZINC000580435851 330133475 /nfs/dbraw/zinc/13/34/75/330133475.db2.gz IZHIUCDDMUBVON-HNNXBMFYSA-N 1 2 281.400 1.543 20 30 CDEDLO C=C(C)CN(CC)C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422591666 330149675 /nfs/dbraw/zinc/14/96/75/330149675.db2.gz RGTQWOMKNJDUTO-UHFFFAOYSA-N 1 2 289.379 1.739 20 30 CDEDLO N#CCC1(O)C[NH+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000424128782 330259823 /nfs/dbraw/zinc/25/98/23/330259823.db2.gz CFTXGVVFIBNKDP-UHFFFAOYSA-N 1 2 293.754 1.629 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2cc(C#N)ccc2C)CC1 ZINC000122971849 330436040 /nfs/dbraw/zinc/43/60/40/330436040.db2.gz UHIOVEGXKGWVNL-UHFFFAOYSA-N 1 2 297.358 1.023 20 30 CDEDLO COCCN(CC#N)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000457179344 331213974 /nfs/dbraw/zinc/21/39/74/331213974.db2.gz DPAKKLHOVXFSLP-UHFFFAOYSA-N 1 2 286.335 1.343 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000459066751 331268925 /nfs/dbraw/zinc/26/89/25/331268925.db2.gz VAGUXYVXJSHDOL-NWDGAFQWSA-N 1 2 280.372 1.590 20 30 CDEDLO Cc1cccc2nc(C[NH2+][C@@H]3CCC[C@H]3C#N)cc(=O)n12 ZINC000459461745 331282724 /nfs/dbraw/zinc/28/27/24/331282724.db2.gz ISSBPWREUNJBAH-GXTWGEPZSA-N 1 2 282.347 1.785 20 30 CDEDLO C=CCn1cccc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000490016703 332076811 /nfs/dbraw/zinc/07/68/11/332076811.db2.gz HQCDYNFPXMWEHE-CYBMUJFWSA-N 1 2 272.352 1.937 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000491264282 332176541 /nfs/dbraw/zinc/17/65/41/332176541.db2.gz FQHCIRCWFKYNEI-ZIAGYGMSSA-N 1 2 286.350 1.960 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000491340631 332193899 /nfs/dbraw/zinc/19/38/99/332193899.db2.gz ZBGAERBGSDZEQT-WHOFXGATSA-N 1 2 262.353 1.067 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000491340631 332193900 /nfs/dbraw/zinc/19/39/00/332193900.db2.gz ZBGAERBGSDZEQT-WHOFXGATSA-N 1 2 262.353 1.067 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](O)Cc1cccc(Cl)c1 ZINC000491372414 332199110 /nfs/dbraw/zinc/19/91/10/332199110.db2.gz JHEKKSQJEBNRIE-GJZGRUSLSA-N 1 2 279.767 1.577 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](O)Cc1cccc(Cl)c1 ZINC000491372414 332199111 /nfs/dbraw/zinc/19/91/11/332199111.db2.gz JHEKKSQJEBNRIE-GJZGRUSLSA-N 1 2 279.767 1.577 20 30 CDEDLO C#CCNC(=O)CC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000491523822 332229198 /nfs/dbraw/zinc/22/91/98/332229198.db2.gz HNJVRZFITMQCOM-HNNXBMFYSA-N 1 2 290.338 1.339 20 30 CDEDLO C#CCNC(=O)CC[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000491523822 332229200 /nfs/dbraw/zinc/22/92/00/332229200.db2.gz HNJVRZFITMQCOM-HNNXBMFYSA-N 1 2 290.338 1.339 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000491566416 332239025 /nfs/dbraw/zinc/23/90/25/332239025.db2.gz GCKLTDOLPLQFLC-WBVHZDCISA-N 1 2 298.386 1.483 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000491566416 332239026 /nfs/dbraw/zinc/23/90/26/332239026.db2.gz GCKLTDOLPLQFLC-WBVHZDCISA-N 1 2 298.386 1.483 20 30 CDEDLO C#CC(C)(C)NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000491692811 332289310 /nfs/dbraw/zinc/28/93/10/332289310.db2.gz SBTJGOUCBLUACQ-SECBINFHSA-N 1 2 287.285 1.984 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000491698942 332293591 /nfs/dbraw/zinc/29/35/91/332293591.db2.gz BQOORJNXBPKFRE-UHFFFAOYSA-N 1 2 255.321 1.188 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000491698942 332293593 /nfs/dbraw/zinc/29/35/93/332293593.db2.gz BQOORJNXBPKFRE-UHFFFAOYSA-N 1 2 255.321 1.188 20 30 CDEDLO C#C[C@H](C)N(C)c1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000491752081 332328143 /nfs/dbraw/zinc/32/81/43/332328143.db2.gz YXPMOLTVZUDDBM-YNEHKIRRSA-N 1 2 274.368 1.142 20 30 CDEDLO C#C[C@H](C)N(C)c1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000491752081 332328144 /nfs/dbraw/zinc/32/81/44/332328144.db2.gz YXPMOLTVZUDDBM-YNEHKIRRSA-N 1 2 274.368 1.142 20 30 CDEDLO C#CCNC(=O)C1CCN(c2nc(C)[nH+]cc2C)CC1 ZINC000491756868 332330073 /nfs/dbraw/zinc/33/00/73/332330073.db2.gz ANLPQLICHCCPLT-UHFFFAOYSA-N 1 2 272.352 1.059 20 30 CDEDLO C#C[C@@H]1COCCN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000491805974 332359385 /nfs/dbraw/zinc/35/93/85/332359385.db2.gz QCUMGZIXPZUXCW-GFCCVEGCSA-N 1 2 270.292 1.200 20 30 CDEDLO CCn1cc[nH+]c1/C=C\C(=O)N(C)C1(C#N)CCC1 ZINC000492317825 332392095 /nfs/dbraw/zinc/39/20/95/332392095.db2.gz KSCPJHOAUMVSQU-WAYWQWQTSA-N 1 2 258.325 1.821 20 30 CDEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000493243935 332432266 /nfs/dbraw/zinc/43/22/66/332432266.db2.gz YJDDFSYJBHWUEY-ABZJQCSKSA-N 1 2 258.325 1.725 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607085 333090463 /nfs/dbraw/zinc/09/04/63/333090463.db2.gz DZQUTZBYZJOVRH-LLVKDONJSA-N 1 2 287.319 1.091 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607085 333090464 /nfs/dbraw/zinc/09/04/64/333090464.db2.gz DZQUTZBYZJOVRH-LLVKDONJSA-N 1 2 287.319 1.091 20 30 CDEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+](CC(=O)NCC#N)C2 ZINC000517204841 333094743 /nfs/dbraw/zinc/09/47/43/333094743.db2.gz KGZHYPNPUKLUJX-UHFFFAOYSA-N 1 2 285.347 1.182 20 30 CDEDLO COc1ccc2c(c1)C1(CC1)C[N@H+](CC(=O)NCC#N)C2 ZINC000517204841 333094744 /nfs/dbraw/zinc/09/47/44/333094744.db2.gz KGZHYPNPUKLUJX-UHFFFAOYSA-N 1 2 285.347 1.182 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(Cl)c1 ZINC000517466924 333100075 /nfs/dbraw/zinc/10/00/75/333100075.db2.gz LBGKIXUTGHHSAS-CYBMUJFWSA-N 1 2 265.744 1.914 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC(=O)NCc1cccs1 ZINC000522012080 333230180 /nfs/dbraw/zinc/23/01/80/333230180.db2.gz YAWGJJPNADXSJU-SNVBAGLBSA-N 1 2 294.380 1.356 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000192219440 333232650 /nfs/dbraw/zinc/23/26/50/333232650.db2.gz AFMTWCTXFOIJBG-LBPRGKRZSA-N 1 2 288.347 1.674 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000192219440 333232651 /nfs/dbraw/zinc/23/26/51/333232651.db2.gz AFMTWCTXFOIJBG-LBPRGKRZSA-N 1 2 288.347 1.674 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000192231727 333232997 /nfs/dbraw/zinc/23/29/97/333232997.db2.gz MBSYLASNLZYJBP-NSHDSACASA-N 1 2 281.153 1.541 20 30 CDEDLO C#CC[N@H+](C)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000192231727 333232998 /nfs/dbraw/zinc/23/29/98/333232998.db2.gz MBSYLASNLZYJBP-NSHDSACASA-N 1 2 281.153 1.541 20 30 CDEDLO C[C@H]1C[N@H+](CCN(CCC#N)CC(C)(C)C)CCO1 ZINC000192744701 333239007 /nfs/dbraw/zinc/23/90/07/333239007.db2.gz VILGFYUVWKUVBU-AWEZNQCLSA-N 1 2 267.417 1.969 20 30 CDEDLO C[C@H]1C[N@@H+](CCN(CCC#N)CC(C)(C)C)CCO1 ZINC000192744701 333239009 /nfs/dbraw/zinc/23/90/09/333239009.db2.gz VILGFYUVWKUVBU-AWEZNQCLSA-N 1 2 267.417 1.969 20 30 CDEDLO Cc1cccn2cc(CC(=O)N(C)CCC#N)[nH+]c12 ZINC000524271219 333358612 /nfs/dbraw/zinc/35/86/12/333358612.db2.gz CZJWCJCZTJYQNI-UHFFFAOYSA-N 1 2 256.309 1.557 20 30 CDEDLO C=C(C)[C@@H](Cc1nc([C@H]2C[N@H+](C)CCN2C)no1)OCC ZINC000547200816 334072732 /nfs/dbraw/zinc/07/27/32/334072732.db2.gz CJSBSGWXCCPCCT-CHWSQXEVSA-N 1 2 294.399 1.512 20 30 CDEDLO C=C(C)[C@@H](Cc1nc([C@H]2C[N@@H+](C)CCN2C)no1)OCC ZINC000547200816 334072734 /nfs/dbraw/zinc/07/27/34/334072734.db2.gz CJSBSGWXCCPCCT-CHWSQXEVSA-N 1 2 294.399 1.512 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000567595507 334738430 /nfs/dbraw/zinc/73/84/30/334738430.db2.gz KJTWEPXSWZOVSP-VXGBXAGGSA-N 1 2 251.330 1.278 20 30 CDEDLO N#CCC[C@H](C#N)C[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000568167722 334799298 /nfs/dbraw/zinc/79/92/98/334799298.db2.gz MIHUTDWMFISGSQ-LLVKDONJSA-N 1 2 274.328 1.064 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1cccc(F)c1F ZINC000568516928 334828360 /nfs/dbraw/zinc/82/83/60/334828360.db2.gz TVILMECENKQVCM-HNNXBMFYSA-N 1 2 295.333 1.857 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@]12C[C@H]1CCC2 ZINC000572950997 334893995 /nfs/dbraw/zinc/89/39/95/334893995.db2.gz OZQHDTCBLJXYSW-GDBMZVCRSA-N 1 2 291.395 1.251 20 30 CDEDLO N#CC1(CNC(=O)NCCNc2cccc[nH+]2)CC1 ZINC000580611120 335299088 /nfs/dbraw/zinc/29/90/88/335299088.db2.gz DQPYRNDYJVJAPD-UHFFFAOYSA-N 1 2 259.313 1.096 20 30 CDEDLO CC(C)C[C@@H](C)OCCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000578326755 335610844 /nfs/dbraw/zinc/61/08/44/335610844.db2.gz DKERIKZKPNISKQ-UKRRQHHQSA-N 1 2 283.416 1.788 20 30 CDEDLO C=C(C)C(=O)NCCCNc1ccc(N(C)C)c[nH+]1 ZINC001167670990 1159238588 /nfs/dbraw/zinc/23/85/88/1159238588.db2.gz OVTHWBKEKLLGME-UHFFFAOYSA-N 1 2 262.357 1.642 20 30 CDEDLO C[C@H](C#N)CNC(=O)NCCCNc1cccc[nH+]1 ZINC000182571918 335827432 /nfs/dbraw/zinc/82/74/32/335827432.db2.gz NEDIAVMYSYNRIW-LLVKDONJSA-N 1 2 261.329 1.342 20 30 CDEDLO C#C[C@H]([NH2+]CCS(=O)(=O)CC)c1ccccc1 ZINC000378773814 1159519742 /nfs/dbraw/zinc/51/97/42/1159519742.db2.gz XHJUOMISYJFADA-ZDUSSCGKSA-N 1 2 251.351 1.385 20 30 CDEDLO Cc1nc(N(C)CCN(C)C(=O)C#CC2CC2)cc[nH+]1 ZINC001105395828 1160252875 /nfs/dbraw/zinc/25/28/75/1160252875.db2.gz FAJDXHWAMIRCFF-UHFFFAOYSA-N 1 2 272.352 1.093 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn(CC)n2)[C@H]1C ZINC001088555026 1160535103 /nfs/dbraw/zinc/53/51/03/1160535103.db2.gz PMMICYFUNUEQDE-MNOVXSKESA-N 1 2 297.790 1.243 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn(CC)n2)[C@H]1C ZINC001088555026 1160535108 /nfs/dbraw/zinc/53/51/08/1160535108.db2.gz PMMICYFUNUEQDE-MNOVXSKESA-N 1 2 297.790 1.243 20 30 CDEDLO C=CCOCCNC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000661280461 482194359 /nfs/dbraw/zinc/19/43/59/482194359.db2.gz JSDDWCCYMGGBNU-WDEREUQCSA-N 1 2 264.329 1.391 20 30 CDEDLO COCC#CC[N@H+](CCN1CCOCC1)Cc1ccco1 ZINC000650317826 482446074 /nfs/dbraw/zinc/44/60/74/482446074.db2.gz WIFKVXNVCMTEJH-UHFFFAOYSA-N 1 2 292.379 1.064 20 30 CDEDLO COCC#CC[N@@H+](CCN1CCOCC1)Cc1ccco1 ZINC000650317826 482446075 /nfs/dbraw/zinc/44/60/75/482446075.db2.gz WIFKVXNVCMTEJH-UHFFFAOYSA-N 1 2 292.379 1.064 20 30 CDEDLO COCC#CCN(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000650317826 482446077 /nfs/dbraw/zinc/44/60/77/482446077.db2.gz WIFKVXNVCMTEJH-UHFFFAOYSA-N 1 2 292.379 1.064 20 30 CDEDLO C=C(C)CN(CC)C(=O)CN(C)Cc1[nH]cc[nH+]1 ZINC000677801824 482785152 /nfs/dbraw/zinc/78/51/52/482785152.db2.gz IYXCCPGBHKCMPJ-UHFFFAOYSA-N 1 2 250.346 1.266 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2[nH]nc3ccccc32)C1=O ZINC000684966720 483041907 /nfs/dbraw/zinc/04/19/07/483041907.db2.gz KQQMYWFMGCIPCY-HNNXBMFYSA-N 1 2 284.363 1.782 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2[nH]nc3ccccc32)C1=O ZINC000684966720 483041912 /nfs/dbraw/zinc/04/19/12/483041912.db2.gz KQQMYWFMGCIPCY-HNNXBMFYSA-N 1 2 284.363 1.782 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2n[nH]c3ccccc23)C1=O ZINC000684966720 483041917 /nfs/dbraw/zinc/04/19/17/483041917.db2.gz KQQMYWFMGCIPCY-HNNXBMFYSA-N 1 2 284.363 1.782 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2n[nH]c3ccccc23)C1=O ZINC000684966720 483041924 /nfs/dbraw/zinc/04/19/24/483041924.db2.gz KQQMYWFMGCIPCY-HNNXBMFYSA-N 1 2 284.363 1.782 20 30 CDEDLO C[C@@H]1C[C@H](NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CCO1 ZINC000329122561 533762018 /nfs/dbraw/zinc/76/20/18/533762018.db2.gz WTEOQTMSKMUJIC-FRRDWIJNSA-N 1 2 292.383 1.691 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H]2OCC[C@H]2CC)CC1 ZINC001112982204 1162062128 /nfs/dbraw/zinc/06/21/28/1162062128.db2.gz DPTKCDVNDKLOLX-CABCVRRESA-N 1 2 296.411 1.148 20 30 CDEDLO C[C@@H](CN(C)C(=O)C#CC(C)(C)C)[NH2+]Cc1cnsn1 ZINC001755585820 1186002266 /nfs/dbraw/zinc/00/22/66/1186002266.db2.gz CJPKMDRJCIUWQG-NSHDSACASA-N 1 2 294.424 1.524 20 30 CDEDLO C=CCO[C@@H](C)C(=O)NC[C@@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113639706 1162244704 /nfs/dbraw/zinc/24/47/04/1162244704.db2.gz JDRWTHBQDYASNQ-NEPJUHHUSA-N 1 2 292.383 1.317 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCc2sccc2C1)C1CC1 ZINC000054670493 525136015 /nfs/dbraw/zinc/13/60/15/525136015.db2.gz JBOJAJRDCIQYJQ-OAHLLOKOSA-N 1 2 289.404 1.915 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCc2sccc2C1)C1CC1 ZINC000054670493 525136019 /nfs/dbraw/zinc/13/60/19/525136019.db2.gz JBOJAJRDCIQYJQ-OAHLLOKOSA-N 1 2 289.404 1.915 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000054613544 526459220 /nfs/dbraw/zinc/45/92/20/526459220.db2.gz BIUVBZHDJPJKKH-UHFFFAOYSA-N 1 2 269.352 1.366 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000330203024 526835623 /nfs/dbraw/zinc/83/56/23/526835623.db2.gz BSSLYQZRHCALMJ-CHWSQXEVSA-N 1 2 268.357 1.256 20 30 CDEDLO CC(C)(C#N)CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000354732246 527481286 /nfs/dbraw/zinc/48/12/86/527481286.db2.gz RTICFVPFIIMZFD-LBPRGKRZSA-N 1 2 287.367 1.509 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347292078 527617875 /nfs/dbraw/zinc/61/78/75/527617875.db2.gz YWEJLMIRUNZDIW-OAHLLOKOSA-N 1 2 296.411 1.196 20 30 CDEDLO CC[N@@H+](CC(=O)N1CCC(C)CC1)C[C@@H](C)C#N ZINC000353286242 527894070 /nfs/dbraw/zinc/89/40/70/527894070.db2.gz MADPYXHNXUMOJG-ZDUSSCGKSA-N 1 2 251.374 1.726 20 30 CDEDLO CC[N@H+](CC(=O)N1CCC(C)CC1)C[C@@H](C)C#N ZINC000353286242 527894073 /nfs/dbraw/zinc/89/40/73/527894073.db2.gz MADPYXHNXUMOJG-ZDUSSCGKSA-N 1 2 251.374 1.726 20 30 CDEDLO CC(C)[N@H+](CCS(C)(=O)=O)Cc1cc(C#N)n(C)c1 ZINC000191410981 535071595 /nfs/dbraw/zinc/07/15/95/535071595.db2.gz YXFDZVSWIQFCHY-UHFFFAOYSA-N 1 2 283.397 1.152 20 30 CDEDLO CC(C)[N@@H+](CCS(C)(=O)=O)Cc1cc(C#N)n(C)c1 ZINC000191410981 535071600 /nfs/dbraw/zinc/07/16/00/535071600.db2.gz YXFDZVSWIQFCHY-UHFFFAOYSA-N 1 2 283.397 1.152 20 30 CDEDLO C[C@@H](CNC(=O)c1ccnc(C2CC2)c1)[NH+]1CCOCC1 ZINC000329336148 538561413 /nfs/dbraw/zinc/56/14/13/538561413.db2.gz PAHYVMMYMLAGBM-LBPRGKRZSA-N 1 2 289.379 1.984 20 30 CDEDLO C=C[C@@](C)(O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000668781961 538810743 /nfs/dbraw/zinc/81/07/43/538810743.db2.gz KFYXOHAPSKOWOC-CZUORRHYSA-N 1 2 289.379 1.224 20 30 CDEDLO C=CCN(C(=O)NCC[N@@H+]1CCOCC1(C)C)C(C)C ZINC000728401445 574632495 /nfs/dbraw/zinc/63/24/95/574632495.db2.gz ZNBMEKZRQOYLBX-UHFFFAOYSA-N 1 2 283.416 1.703 20 30 CDEDLO C=CCN(C(=O)NCC[N@H+]1CCOCC1(C)C)C(C)C ZINC000728401445 574632497 /nfs/dbraw/zinc/63/24/97/574632497.db2.gz ZNBMEKZRQOYLBX-UHFFFAOYSA-N 1 2 283.416 1.703 20 30 CDEDLO CC[N@H+](CC(=O)N(C)C)Cc1ccc(F)cc1C#N ZINC000728688372 574642263 /nfs/dbraw/zinc/64/22/63/574642263.db2.gz LPSSSEBZSYNTND-UHFFFAOYSA-N 1 2 263.316 1.607 20 30 CDEDLO CC[N@@H+](CC(=O)N(C)C)Cc1ccc(F)cc1C#N ZINC000728688372 574642265 /nfs/dbraw/zinc/64/22/65/574642265.db2.gz LPSSSEBZSYNTND-UHFFFAOYSA-N 1 2 263.316 1.607 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)/C=C\c1ccccc1C#N ZINC000729385641 574757101 /nfs/dbraw/zinc/75/71/01/574757101.db2.gz WSJLYCMKVPXSGV-LMVHVUTASA-N 1 2 299.374 1.408 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)/C=C\c1ccccc1C#N ZINC000729385641 574757104 /nfs/dbraw/zinc/75/71/04/574757104.db2.gz WSJLYCMKVPXSGV-LMVHVUTASA-N 1 2 299.374 1.408 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c[nH]nc2c1 ZINC000732056118 575076777 /nfs/dbraw/zinc/07/67/77/575076777.db2.gz LRRWAVSJWQOJNQ-AWEZNQCLSA-N 1 2 268.320 1.599 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c[nH]nc2c1 ZINC000732056118 575076778 /nfs/dbraw/zinc/07/67/78/575076778.db2.gz LRRWAVSJWQOJNQ-AWEZNQCLSA-N 1 2 268.320 1.599 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000732066750 575077427 /nfs/dbraw/zinc/07/74/27/575077427.db2.gz AVUBGTPXNZUSDG-HNNXBMFYSA-N 1 2 295.346 1.303 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000732066750 575077428 /nfs/dbraw/zinc/07/74/28/575077428.db2.gz AVUBGTPXNZUSDG-HNNXBMFYSA-N 1 2 295.346 1.303 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cc(C(C)C)no1 ZINC000733990412 575152345 /nfs/dbraw/zinc/15/23/45/575152345.db2.gz VLUPUOVAMXIYQR-AWEZNQCLSA-N 1 2 275.352 1.512 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cc(C(C)C)no1 ZINC000733990412 575152347 /nfs/dbraw/zinc/15/23/47/575152347.db2.gz VLUPUOVAMXIYQR-AWEZNQCLSA-N 1 2 275.352 1.512 20 30 CDEDLO COc1ccc(O)c(/C=[NH+]\Cc2nnnn2CC2CC2)c1 ZINC000769718725 575377823 /nfs/dbraw/zinc/37/78/23/575377823.db2.gz UJWBUWVACRPSSW-CHHVJCJISA-N 1 2 287.323 1.416 20 30 CDEDLO C[C@H](C#N)CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000770796574 575499580 /nfs/dbraw/zinc/49/95/80/575499580.db2.gz MZCODARYVSYMDW-VXGBXAGGSA-N 1 2 275.356 1.469 20 30 CDEDLO CCCNC(=S)NN=Cc1cccc2[nH+]ccn21 ZINC000771096255 575548810 /nfs/dbraw/zinc/54/88/10/575548810.db2.gz DEEPWSHHLPFHDS-UHFFFAOYSA-N 1 2 261.354 1.542 20 30 CDEDLO C#C[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)[C@@H]1CCCO1 ZINC000772883336 575763009 /nfs/dbraw/zinc/76/30/09/575763009.db2.gz ZIOCCVUHACINTB-KGLIPLIRSA-N 1 2 283.331 1.174 20 30 CDEDLO C#C[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000773557506 575825116 /nfs/dbraw/zinc/82/51/16/575825116.db2.gz LEYQWJIHQPAOFG-KBPBESRZSA-N 1 2 290.367 1.095 20 30 CDEDLO Cn1c[nH+]cc1CN=Nc1cc(C#N)cc(Cl)n1 ZINC000768382511 576278079 /nfs/dbraw/zinc/27/80/79/576278079.db2.gz UHLUFKQIQNIROT-UHFFFAOYSA-N 1 2 260.688 1.786 20 30 CDEDLO C#CCSCCNC(=O)NCCCCn1cc[nH+]c1 ZINC000740031954 576413334 /nfs/dbraw/zinc/41/33/34/576413334.db2.gz OKBNPQUJZJZATB-UHFFFAOYSA-N 1 2 280.397 1.329 20 30 CDEDLO C#CCCO[NH+]=C(N)Cc1ccc(OC)c(OC)c1 ZINC000760350369 576479194 /nfs/dbraw/zinc/47/91/94/576479194.db2.gz GIUCKPHCZKODFL-UHFFFAOYSA-N 1 2 262.309 1.768 20 30 CDEDLO COc1nc(N(C)C)sc1C=[NH+]NCC(F)F ZINC000740616758 576495086 /nfs/dbraw/zinc/49/50/86/576495086.db2.gz SJNLWFHMZSIHOT-UHFFFAOYSA-N 1 2 264.301 1.406 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000760861998 576517313 /nfs/dbraw/zinc/51/73/13/576517313.db2.gz BTWMPWUHHRPLPU-CYBMUJFWSA-N 1 2 298.342 1.007 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000760861998 576517314 /nfs/dbraw/zinc/51/73/14/576517314.db2.gz BTWMPWUHHRPLPU-CYBMUJFWSA-N 1 2 298.342 1.007 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000740860483 576519487 /nfs/dbraw/zinc/51/94/87/576519487.db2.gz PTULQQZNABZAKY-ZJUUUORDSA-N 1 2 253.375 1.683 20 30 CDEDLO C=CCn1nnn(C[N@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000740860483 576519489 /nfs/dbraw/zinc/51/94/89/576519489.db2.gz PTULQQZNABZAKY-ZJUUUORDSA-N 1 2 253.375 1.683 20 30 CDEDLO CC(C)[C@@H](C(=O)OCC#N)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000741021398 576532268 /nfs/dbraw/zinc/53/22/68/576532268.db2.gz PJEDNSUWLIXAOY-UTUOFQBUSA-N 1 2 254.330 1.187 20 30 CDEDLO Cc1nn(C)cc1CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761844481 576597108 /nfs/dbraw/zinc/59/71/08/576597108.db2.gz AITGBPDVHPIOLH-UHFFFAOYSA-N 1 2 282.311 1.150 20 30 CDEDLO CC(CCCCO)N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761861009 576599236 /nfs/dbraw/zinc/59/92/36/576599236.db2.gz RYGBLPGOICNVNI-UHFFFAOYSA-N 1 2 274.328 1.613 20 30 CDEDLO CCC(CC)[C@@H](C(=O)OCC#CCOC)[NH+]1CCOCC1 ZINC000762835848 576680294 /nfs/dbraw/zinc/68/02/94/576680294.db2.gz QXHSZFDEEMISQB-HNNXBMFYSA-N 1 2 297.395 1.316 20 30 CDEDLO C#CC(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000753998761 576872812 /nfs/dbraw/zinc/87/28/12/576872812.db2.gz LZALKXDLKCCTSM-UHFFFAOYSA-N 1 2 258.321 1.413 20 30 CDEDLO C#CC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000754060406 576876539 /nfs/dbraw/zinc/87/65/39/576876539.db2.gz SIIJUBBIXYSJHC-UHFFFAOYSA-N 1 2 271.364 1.471 20 30 CDEDLO C#CC(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000754060406 576876540 /nfs/dbraw/zinc/87/65/40/576876540.db2.gz SIIJUBBIXYSJHC-UHFFFAOYSA-N 1 2 271.364 1.471 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCSC[C@@H](C)C1 ZINC000754496607 576898590 /nfs/dbraw/zinc/89/85/90/576898590.db2.gz JJQRKFGBCVTAAC-STQMWFEESA-N 1 2 266.410 1.296 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCSC[C@@H](C)C1 ZINC000754496607 576898591 /nfs/dbraw/zinc/89/85/91/576898591.db2.gz JJQRKFGBCVTAAC-STQMWFEESA-N 1 2 266.410 1.296 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000749523044 576951732 /nfs/dbraw/zinc/95/17/32/576951732.db2.gz MKLCBFHGCNHHNV-CYBMUJFWSA-N 1 2 263.272 1.040 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000749523044 576951734 /nfs/dbraw/zinc/95/17/34/576951734.db2.gz MKLCBFHGCNHHNV-CYBMUJFWSA-N 1 2 263.272 1.040 20 30 CDEDLO Cc1[nH]c[nH+]c1C=NNC(=S)N[C@H](C)C1CC1 ZINC000755768369 576959877 /nfs/dbraw/zinc/95/98/77/576959877.db2.gz PIYAZWIZBULJCD-SSDOTTSWSA-N 1 2 251.359 1.315 20 30 CDEDLO N#CC1CC[NH+](CN2C(=O)[C@@H]3CCCCC[C@@H]32)CC1 ZINC000749950723 576969358 /nfs/dbraw/zinc/96/93/58/576969358.db2.gz VKWKWQPINOADRR-KGLIPLIRSA-N 1 2 261.369 1.971 20 30 CDEDLO Cc1ccc(NC(=O)NC[C@@H](C)C#N)c(N(C)C)[nH+]1 ZINC000750391004 576986492 /nfs/dbraw/zinc/98/64/92/576986492.db2.gz SSYPQNJXLVEQQP-VIFPVBQESA-N 1 2 261.329 1.737 20 30 CDEDLO N#CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000750505884 576992180 /nfs/dbraw/zinc/99/21/80/576992180.db2.gz ZLJQEVSCPQLQJP-CYBMUJFWSA-N 1 2 262.284 1.857 20 30 CDEDLO N#CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000750505884 576992182 /nfs/dbraw/zinc/99/21/82/576992182.db2.gz ZLJQEVSCPQLQJP-CYBMUJFWSA-N 1 2 262.284 1.857 20 30 CDEDLO N#CCOc1cccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000750845714 577009614 /nfs/dbraw/zinc/00/96/14/577009614.db2.gz RRGBTNDUVCPGLX-LBPRGKRZSA-N 1 2 296.330 1.987 20 30 CDEDLO C#CCNC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000758189762 577079027 /nfs/dbraw/zinc/07/90/27/577079027.db2.gz NIQRIAISUTXZBZ-UHFFFAOYSA-N 1 2 289.404 1.438 20 30 CDEDLO CON=CC(=O)N1CCCC[C@@H]1c1c[nH+]cn1C ZINC000752936115 577135601 /nfs/dbraw/zinc/13/56/01/577135601.db2.gz YBSTVEUATDSDBS-SNVBAGLBSA-N 1 2 250.302 1.106 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cccc3nccn32)C1 ZINC000950865603 612992575 /nfs/dbraw/zinc/99/25/75/612992575.db2.gz RAAQIEIRZKOWQU-UHFFFAOYSA-N 1 2 296.374 1.504 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)C1 ZINC000972538621 613211484 /nfs/dbraw/zinc/21/14/84/613211484.db2.gz WTZOOLRLXCKERE-INMHGKMJSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)C1 ZINC000972538621 613211486 /nfs/dbraw/zinc/21/14/86/613211486.db2.gz WTZOOLRLXCKERE-INMHGKMJSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ccccc3)C2)C1 ZINC000972440064 613212424 /nfs/dbraw/zinc/21/24/24/613212424.db2.gz ZEGIPLRJDRCWMA-GOSISDBHSA-N 1 2 298.386 1.166 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ccccc3)C2)C1 ZINC000972440064 613212425 /nfs/dbraw/zinc/21/24/25/613212425.db2.gz ZEGIPLRJDRCWMA-GOSISDBHSA-N 1 2 298.386 1.166 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC000968691079 613215519 /nfs/dbraw/zinc/21/55/19/613215519.db2.gz CTJSMCHJTNEFDG-MNOVXSKESA-N 1 2 280.368 1.961 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC000968691079 613215520 /nfs/dbraw/zinc/21/55/20/613215520.db2.gz CTJSMCHJTNEFDG-MNOVXSKESA-N 1 2 280.368 1.961 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2n[nH]c3ccccc32)[C@H](C)C1 ZINC000944619213 613277618 /nfs/dbraw/zinc/27/76/18/613277618.db2.gz KHDQTSHEFUGWOB-OCCSQVGLSA-N 1 2 296.374 1.636 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2n[nH]c3ccccc32)[C@H](C)C1 ZINC000944619213 613277620 /nfs/dbraw/zinc/27/76/20/613277620.db2.gz KHDQTSHEFUGWOB-OCCSQVGLSA-N 1 2 296.374 1.636 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2C[C@H]2OCC)C1 ZINC000949716471 613295502 /nfs/dbraw/zinc/29/55/02/613295502.db2.gz VFTUXGHNZMRSRW-UONOGXRCSA-N 1 2 266.385 1.520 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](C)Oc2ccccn2)CC1 ZINC000957354184 613318699 /nfs/dbraw/zinc/31/86/99/613318699.db2.gz OXMBEPCQXDUVMU-AWEZNQCLSA-N 1 2 289.379 1.569 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2c(C)n(C)nc2Cl)CC1 ZINC000957484942 613320169 /nfs/dbraw/zinc/32/01/69/613320169.db2.gz GHJULUBMIGGTED-UHFFFAOYSA-N 1 2 296.802 1.716 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(C(F)F)n[nH]2)CC1 ZINC000950433376 613320211 /nfs/dbraw/zinc/32/02/11/613320211.db2.gz CHZPDQRASYLEDK-UHFFFAOYSA-N 1 2 284.310 1.681 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2C)C1 ZINC000970278803 613371620 /nfs/dbraw/zinc/37/16/20/613371620.db2.gz HSJPBKNKPLQVLZ-HLUHBDAQSA-N 1 2 256.777 1.831 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1cnon1 ZINC000969085141 613373120 /nfs/dbraw/zinc/37/31/20/613373120.db2.gz NUVROONIQGUIAE-NSHDSACASA-N 1 2 298.774 1.797 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1cnon1 ZINC000969085141 613373121 /nfs/dbraw/zinc/37/31/21/613373121.db2.gz NUVROONIQGUIAE-NSHDSACASA-N 1 2 298.774 1.797 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@H]2CCCO2)CC1 ZINC000980735435 613373394 /nfs/dbraw/zinc/37/33/94/613373394.db2.gz YLGVILHSFIFGPY-CYBMUJFWSA-N 1 2 286.803 1.842 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@H]2CCCO2)CC1 ZINC000980735435 613373395 /nfs/dbraw/zinc/37/33/95/613373395.db2.gz YLGVILHSFIFGPY-CYBMUJFWSA-N 1 2 286.803 1.842 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccnn2C)C1 ZINC000965529566 613375843 /nfs/dbraw/zinc/37/58/43/613375843.db2.gz SLYFEGRLVBHMBC-ZYHUDNBSSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccnn2C)C1 ZINC000965529566 613375844 /nfs/dbraw/zinc/37/58/44/613375844.db2.gz SLYFEGRLVBHMBC-ZYHUDNBSSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnnn2C)C1 ZINC000965979219 613375884 /nfs/dbraw/zinc/37/58/84/613375884.db2.gz CKWNYHPHLNYVDJ-MWLCHTKSSA-N 1 2 297.790 1.008 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnnn2C)C1 ZINC000965979219 613375885 /nfs/dbraw/zinc/37/58/85/613375885.db2.gz CKWNYHPHLNYVDJ-MWLCHTKSSA-N 1 2 297.790 1.008 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)C(C)(C)C1 ZINC000940859866 613377234 /nfs/dbraw/zinc/37/72/34/613377234.db2.gz XAEBTUXOHBZBOV-LLVKDONJSA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)C(C)(C)C1 ZINC000940859866 613377235 /nfs/dbraw/zinc/37/72/35/613377235.db2.gz XAEBTUXOHBZBOV-LLVKDONJSA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)C(C)(C)C1 ZINC000940859866 613377236 /nfs/dbraw/zinc/37/72/36/613377236.db2.gz XAEBTUXOHBZBOV-LLVKDONJSA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)C(C)(C)C1 ZINC000940859866 613377237 /nfs/dbraw/zinc/37/72/37/613377237.db2.gz XAEBTUXOHBZBOV-LLVKDONJSA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cccn2)C1 ZINC000965152908 613377745 /nfs/dbraw/zinc/37/77/45/613377745.db2.gz PQSZJWRPOKPPOL-WCQYABFASA-N 1 2 296.802 1.462 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cccn2)C1 ZINC000965152908 613377746 /nfs/dbraw/zinc/37/77/46/613377746.db2.gz PQSZJWRPOKPPOL-WCQYABFASA-N 1 2 296.802 1.462 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2ccon2)C(C)(C)C1 ZINC000972863754 613379793 /nfs/dbraw/zinc/37/97/93/613379793.db2.gz NTEQLRFEAVEQMA-GFCCVEGCSA-N 1 2 297.786 1.796 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2ccon2)C(C)(C)C1 ZINC000972863754 613379794 /nfs/dbraw/zinc/37/97/94/613379794.db2.gz NTEQLRFEAVEQMA-GFCCVEGCSA-N 1 2 297.786 1.796 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](F)CC)C2)C1 ZINC000972496677 613570661 /nfs/dbraw/zinc/57/06/61/613570661.db2.gz IFSVEGYNSZFBMD-DZGCQCFKSA-N 1 2 282.359 1.061 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](F)CC)C2)C1 ZINC000972496677 613570662 /nfs/dbraw/zinc/57/06/62/613570662.db2.gz IFSVEGYNSZFBMD-DZGCQCFKSA-N 1 2 282.359 1.061 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C3CC3)C2)C1 ZINC000972324234 613570707 /nfs/dbraw/zinc/57/07/07/613570707.db2.gz NMAMVBVVMAWSKX-WMLDXEAASA-N 1 2 290.407 1.359 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C3CC3)C2)C1 ZINC000972324234 613570709 /nfs/dbraw/zinc/57/07/09/613570709.db2.gz NMAMVBVVMAWSKX-WMLDXEAASA-N 1 2 290.407 1.359 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccccc21 ZINC000962457123 613642370 /nfs/dbraw/zinc/64/23/70/613642370.db2.gz UOTAYVUPFIQLIW-NHAGDIPZSA-N 1 2 294.358 1.246 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccccc21 ZINC000962457123 613642371 /nfs/dbraw/zinc/64/23/71/613642371.db2.gz UOTAYVUPFIQLIW-NHAGDIPZSA-N 1 2 294.358 1.246 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H](C)n2nc(C)cc2C)CC1 ZINC000957661660 613708740 /nfs/dbraw/zinc/70/87/40/613708740.db2.gz PXERRDDICWYCFC-OAHLLOKOSA-N 1 2 290.411 1.781 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2c(F)cccc2F)CC1 ZINC000949918010 613709574 /nfs/dbraw/zinc/70/95/74/613709574.db2.gz HFTMCAIXSNCEEO-UHFFFAOYSA-N 1 2 280.318 1.838 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2cn3ccccc3n2)CC1 ZINC000948903021 613710003 /nfs/dbraw/zinc/71/00/03/613710003.db2.gz OHBGRWXHBYJFCD-UHFFFAOYSA-N 1 2 284.363 1.207 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2Cc3cccc(F)c3O2)CC1 ZINC000957715748 613711887 /nfs/dbraw/zinc/71/18/87/613711887.db2.gz SWDUYRNGHKJBNI-AWEZNQCLSA-N 1 2 290.338 1.459 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]nc2C(C)(C)C)CC1 ZINC000957283811 613714518 /nfs/dbraw/zinc/71/45/18/613714518.db2.gz FTVJPHLVFHULSK-UHFFFAOYSA-N 1 2 276.384 1.651 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccn(CC)c2C)CC1 ZINC000949796179 613717479 /nfs/dbraw/zinc/71/74/79/613717479.db2.gz QMBLSPWWEOOYPB-UHFFFAOYSA-N 1 2 261.369 1.760 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)on3)C2)C1 ZINC000972245954 613724291 /nfs/dbraw/zinc/72/42/91/613724291.db2.gz GESNLYQXBSSOMH-HNNXBMFYSA-N 1 2 291.351 1.086 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)on3)C2)C1 ZINC000972245954 613724295 /nfs/dbraw/zinc/72/42/95/613724295.db2.gz GESNLYQXBSSOMH-HNNXBMFYSA-N 1 2 291.351 1.086 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3C=CCC3)C2)C1 ZINC000972248329 613725153 /nfs/dbraw/zinc/72/51/53/613725153.db2.gz JKRKCAYRXPIHLD-DOTOQJQBSA-N 1 2 290.407 1.832 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3C=CCC3)C2)C1 ZINC000972248329 613725156 /nfs/dbraw/zinc/72/51/56/613725156.db2.gz JKRKCAYRXPIHLD-DOTOQJQBSA-N 1 2 290.407 1.832 20 30 CDEDLO C=CC[C@H](CO)Nc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000893162557 617423088 /nfs/dbraw/zinc/42/30/88/617423088.db2.gz NFJCJJOQKOHXRE-WDEREUQCSA-N 1 2 266.345 1.008 20 30 CDEDLO C=CC[C@H](CO)Nc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000893162557 617423093 /nfs/dbraw/zinc/42/30/93/617423093.db2.gz NFJCJJOQKOHXRE-WDEREUQCSA-N 1 2 266.345 1.008 20 30 CDEDLO C=C1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000892605153 617531270 /nfs/dbraw/zinc/53/12/70/617531270.db2.gz LLFCVDFRYVRAAM-UHFFFAOYSA-N 1 2 281.400 1.459 20 30 CDEDLO C=C1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000892605153 617531274 /nfs/dbraw/zinc/53/12/74/617531274.db2.gz LLFCVDFRYVRAAM-UHFFFAOYSA-N 1 2 281.400 1.459 20 30 CDEDLO C=C(C)CN(C)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925592538 617538856 /nfs/dbraw/zinc/53/88/56/617538856.db2.gz IOJYRSMBOLWKIM-ZDUSSCGKSA-N 1 2 269.389 1.315 20 30 CDEDLO C#C[C@@H](NC(=O)N[C@H](CC)C[NH+]1CCOCC1)C(C)(C)C ZINC000925602641 617545656 /nfs/dbraw/zinc/54/56/56/617545656.db2.gz VNXCCAYQQRLKLI-ZIAGYGMSSA-N 1 2 295.427 1.444 20 30 CDEDLO CCCC[N@H+](CC(N)=O)Cc1csc(C#N)c1 ZINC000891709750 617550119 /nfs/dbraw/zinc/55/01/19/617550119.db2.gz BXZGLFYIVBWWTJ-UHFFFAOYSA-N 1 2 251.355 1.707 20 30 CDEDLO CCCC[N@@H+](CC(N)=O)Cc1csc(C#N)c1 ZINC000891709750 617550123 /nfs/dbraw/zinc/55/01/23/617550123.db2.gz BXZGLFYIVBWWTJ-UHFFFAOYSA-N 1 2 251.355 1.707 20 30 CDEDLO C#CCOCC[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000851801134 617650114 /nfs/dbraw/zinc/65/01/14/617650114.db2.gz BJBDCSGIWTUGFE-NSHDSACASA-N 1 2 264.291 1.205 20 30 CDEDLO CSc1ccc(C[NH2+][C@@H]2CCCN(O)C2=O)o1 ZINC000895158662 619374737 /nfs/dbraw/zinc/37/47/37/619374737.db2.gz LZULZEJGWTWWGI-SECBINFHSA-N 1 2 256.327 1.471 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCN1O ZINC000895162286 619382558 /nfs/dbraw/zinc/38/25/58/619382558.db2.gz JTDDXKPMKJSGHQ-NSHDSACASA-N 1 2 283.259 1.204 20 30 CDEDLO C[C@H](CC#N)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000895982601 619934298 /nfs/dbraw/zinc/93/42/98/619934298.db2.gz MXLXAPNHPXOPCT-BXKDBHETSA-N 1 2 261.329 1.208 20 30 CDEDLO C[C@H](CC#N)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000895982601 619934302 /nfs/dbraw/zinc/93/43/02/619934302.db2.gz MXLXAPNHPXOPCT-BXKDBHETSA-N 1 2 261.329 1.208 20 30 CDEDLO C=CCOCCCC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928638068 620285730 /nfs/dbraw/zinc/28/57/30/620285730.db2.gz AYTXPHYQUGYUEH-CQSZACIVSA-N 1 2 284.400 1.196 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899063407 622039625 /nfs/dbraw/zinc/03/96/25/622039625.db2.gz CYYZZYDMCFVITP-UHFFFAOYSA-N 1 2 282.384 1.154 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899063407 622039627 /nfs/dbraw/zinc/03/96/27/622039627.db2.gz CYYZZYDMCFVITP-UHFFFAOYSA-N 1 2 282.384 1.154 20 30 CDEDLO C=C1C[NH+](C[C@@H](O)COc2ccc(OCC)cc2)C1 ZINC000899900843 622517533 /nfs/dbraw/zinc/51/75/33/622517533.db2.gz WVYMSQWNIDZETO-CYBMUJFWSA-N 1 2 263.337 1.697 20 30 CDEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC2(C#N)CCC2)[nH]n1 ZINC000900398021 622997018 /nfs/dbraw/zinc/99/70/18/622997018.db2.gz SOTXGGQUIJWZEH-LBPRGKRZSA-N 1 2 273.340 1.352 20 30 CDEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NC2(C#N)CCC2)[nH]n1 ZINC000900398021 622997025 /nfs/dbraw/zinc/99/70/25/622997025.db2.gz SOTXGGQUIJWZEH-LBPRGKRZSA-N 1 2 273.340 1.352 20 30 CDEDLO CC1=C(C(=O)C=Cc2c[nH+]cn2C)[C@H](C)N2NN=NC2=N1 ZINC000901503598 624306066 /nfs/dbraw/zinc/30/60/66/624306066.db2.gz FDDVGTGHHUVANB-MOVJSRMASA-N 1 2 285.311 1.222 20 30 CDEDLO Cc1nc(C#N)c(C#N)n1Cc1cc(C)cc(C)[nH+]1 ZINC000901535485 624323292 /nfs/dbraw/zinc/32/32/92/624323292.db2.gz BBDOUISFGYZWRM-UHFFFAOYSA-N 1 2 251.293 1.995 20 30 CDEDLO N#C[C@@H]1CCCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000905142279 626654646 /nfs/dbraw/zinc/65/46/46/626654646.db2.gz DQSLKJXFJVWIBM-LBPRGKRZSA-N 1 2 261.329 1.218 20 30 CDEDLO COc1cccc(NC[C@H](O)C[N@H+](C)CCC#N)c1OC ZINC000905465582 626828830 /nfs/dbraw/zinc/82/88/30/626828830.db2.gz QWDTXZHKJGQSEK-LBPRGKRZSA-N 1 2 293.367 1.322 20 30 CDEDLO COc1cccc(NC[C@H](O)C[N@@H+](C)CCC#N)c1OC ZINC000905465582 626828832 /nfs/dbraw/zinc/82/88/32/626828832.db2.gz QWDTXZHKJGQSEK-LBPRGKRZSA-N 1 2 293.367 1.322 20 30 CDEDLO N#CCCNC(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000027357201 627985876 /nfs/dbraw/zinc/98/58/76/627985876.db2.gz YOXXHLHUFLRLRX-QGZVFWFLSA-N 1 2 294.358 1.790 20 30 CDEDLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)s1 ZINC000913536421 630531226 /nfs/dbraw/zinc/53/12/26/630531226.db2.gz VPGPEZWSCLPZMP-AOOOYVTPSA-N 1 2 261.350 1.538 20 30 CDEDLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)s1 ZINC000913536421 630531229 /nfs/dbraw/zinc/53/12/29/630531229.db2.gz VPGPEZWSCLPZMP-AOOOYVTPSA-N 1 2 261.350 1.538 20 30 CDEDLO N#CC[C@@H](O)C[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000929656317 630704651 /nfs/dbraw/zinc/70/46/51/630704651.db2.gz FWZQZDPYKLEJCZ-CYBMUJFWSA-N 1 2 294.786 1.127 20 30 CDEDLO CC(C)(C#N)CS(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000913923482 630896616 /nfs/dbraw/zinc/89/66/16/630896616.db2.gz RLWOBMVTKHGWRK-GFCCVEGCSA-N 1 2 285.413 1.036 20 30 CDEDLO CC(C)(C#N)CS(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000913923482 630896622 /nfs/dbraw/zinc/89/66/22/630896622.db2.gz RLWOBMVTKHGWRK-GFCCVEGCSA-N 1 2 285.413 1.036 20 30 CDEDLO CN(C)c1ncc(C=[NH+]OC[C@@H]2CCOC2)s1 ZINC000788032475 631589286 /nfs/dbraw/zinc/58/92/86/631589286.db2.gz AJZVGRHLMNZBJP-SECBINFHSA-N 1 2 255.343 1.596 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)N1CCC[C@H](C#N)C1)[NH+]1CCOCC1 ZINC000917015409 632125842 /nfs/dbraw/zinc/12/58/42/632125842.db2.gz HZTNDVMNAUXFFI-BFHYXJOUSA-N 1 2 294.399 1.041 20 30 CDEDLO C=CC[N@H+](CN1C(=O)N[C@@](C)(C2CC2)C1=O)C(C)C ZINC000917481548 632220811 /nfs/dbraw/zinc/22/08/11/632220811.db2.gz NTRAIQMEONOLGD-AWEZNQCLSA-N 1 2 265.357 1.561 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)N[C@@](C)(C2CC2)C1=O)C(C)C ZINC000917481548 632220812 /nfs/dbraw/zinc/22/08/12/632220812.db2.gz NTRAIQMEONOLGD-AWEZNQCLSA-N 1 2 265.357 1.561 20 30 CDEDLO Cc1nc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)oc1C ZINC001114252810 1162460586 /nfs/dbraw/zinc/46/05/86/1162460586.db2.gz COHGOMLYQQIDJF-HALDLXJZSA-N 1 2 299.374 1.251 20 30 CDEDLO Cc1nc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)oc1C ZINC001114252810 1162460588 /nfs/dbraw/zinc/46/05/88/1162460588.db2.gz COHGOMLYQQIDJF-HALDLXJZSA-N 1 2 299.374 1.251 20 30 CDEDLO Cc1nc(NC[C@H](C)N(C)C(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001104521361 1159457658 /nfs/dbraw/zinc/45/76/58/1159457658.db2.gz BPTTXLDSMJRVBI-JTQLQIEISA-N 1 2 298.350 1.557 20 30 CDEDLO Cc1noc([C@H](C)[NH2+][C@@H](C)CNC(=O)C#CC(C)(C)C)n1 ZINC001752869359 1160816318 /nfs/dbraw/zinc/81/63/18/1160816318.db2.gz KFQUPZNJKFQKFZ-QWRGUYRKSA-N 1 2 292.383 1.583 20 30 CDEDLO CNc1ccc(Nc2c(C#N)cnn2C(=O)OC)c[nH+]1 ZINC001169970276 1162024042 /nfs/dbraw/zinc/02/40/42/1162024042.db2.gz CYCPWIYZPWAISV-UHFFFAOYSA-N 1 2 272.268 1.550 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2(COC)CCC2)CC1 ZINC001113117941 1162104065 /nfs/dbraw/zinc/10/40/65/1162104065.db2.gz VLZCVIAYCDIFOC-UHFFFAOYSA-N 1 2 252.358 1.133 20 30 CDEDLO C[C@@H](C#N)S(=O)(=O)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001193140338 1164387826 /nfs/dbraw/zinc/38/78/26/1164387826.db2.gz WEUVBIZCMDAGKM-WCQYABFASA-N 1 2 295.364 1.167 20 30 CDEDLO C=CCC1(C(=O)NCC[NH2+]Cc2ncccn2)CCCC1 ZINC001153816602 1165487641 /nfs/dbraw/zinc/48/76/41/1165487641.db2.gz FOTUHJKYRWFABH-UHFFFAOYSA-N 1 2 288.395 1.819 20 30 CDEDLO C=C[C@@H](C(=O)NCCC[NH2+]Cc1c[nH]nn1)c1ccccc1 ZINC001575061089 1171100697 /nfs/dbraw/zinc/10/06/97/1171100697.db2.gz AYBOGTOSNQUSIB-OAHLLOKOSA-N 1 2 299.378 1.370 20 30 CDEDLO C=C[C@@H](C(=O)NCCC[NH2+]Cc1cn[nH]n1)c1ccccc1 ZINC001575061089 1171100703 /nfs/dbraw/zinc/10/07/03/1171100703.db2.gz AYBOGTOSNQUSIB-OAHLLOKOSA-N 1 2 299.378 1.370 20 30 CDEDLO C=CCC(C)(C)C(=O)NC[C@H]([NH2+]Cc1c[nH]nn1)C(C)C ZINC001575077735 1171105907 /nfs/dbraw/zinc/10/59/07/1171105907.db2.gz BDMYOEQLLDBYED-ZDUSSCGKSA-N 1 2 293.415 1.637 20 30 CDEDLO C=CCC(C)(C)C(=O)NC[C@H]([NH2+]Cc1cn[nH]n1)C(C)C ZINC001575077735 1171105909 /nfs/dbraw/zinc/10/59/09/1171105909.db2.gz BDMYOEQLLDBYED-ZDUSSCGKSA-N 1 2 293.415 1.637 20 30 CDEDLO C[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)[C@@H]1CCC[C@@H]1C#N ZINC001591150188 1173582833 /nfs/dbraw/zinc/58/28/33/1173582833.db2.gz SYCJMHJGXXSIIS-DGCLKSJQSA-N 1 2 283.339 1.386 20 30 CDEDLO C[N@@H+](Cc1ccnc(-c2nn[nH]n2)c1)[C@@H]1CCC[C@@H]1C#N ZINC001591150188 1173582836 /nfs/dbraw/zinc/58/28/36/1173582836.db2.gz SYCJMHJGXXSIIS-DGCLKSJQSA-N 1 2 283.339 1.386 20 30 CDEDLO N#C[C@@H]1CC[C@H]([NH2+]Cc2nc(-c3nn[nH]n3)cs2)C1 ZINC001592672426 1173964418 /nfs/dbraw/zinc/96/44/18/1173964418.db2.gz IDGDEAPKEOSILI-SFYZADRCSA-N 1 2 275.341 1.105 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CC(C)(F)F)C1 ZINC001732135403 1182794269 /nfs/dbraw/zinc/79/42/69/1182794269.db2.gz VSNDLOQBAGCCAC-UHFFFAOYSA-N 1 2 266.719 1.832 20 30 CDEDLO C=CCOCC(=O)NC[C@@H]1CCC[N@H+]1Cc1coc(C)n1 ZINC001753098672 1185059920 /nfs/dbraw/zinc/05/99/20/1185059920.db2.gz XSOBMLZNWSTIPL-AWEZNQCLSA-N 1 2 293.367 1.266 20 30 CDEDLO C=CCOCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1coc(C)n1 ZINC001753098672 1185059924 /nfs/dbraw/zinc/05/99/24/1185059924.db2.gz XSOBMLZNWSTIPL-AWEZNQCLSA-N 1 2 293.367 1.266 20 30 CDEDLO C=CC(C)(C)C(=O)N(C)CC[NH2+]Cc1ncccn1 ZINC001753223212 1185122700 /nfs/dbraw/zinc/12/27/00/1185122700.db2.gz BPDYCRGIMNBENJ-UHFFFAOYSA-N 1 2 262.357 1.237 20 30 CDEDLO C=CCOCCCC(=O)NC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001753374300 1185174721 /nfs/dbraw/zinc/17/47/21/1185174721.db2.gz ZZFMZLZDOGWZFF-HNNXBMFYSA-N 1 2 296.411 1.339 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)COc1cc(F)cc(F)c1 ZINC001754506055 1185648506 /nfs/dbraw/zinc/64/85/06/1185648506.db2.gz VSWPEQWETDJLSH-ZDUSSCGKSA-N 1 2 294.301 1.167 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)COc1cc(F)cc(F)c1 ZINC001754506055 1185648508 /nfs/dbraw/zinc/64/85/08/1185648508.db2.gz VSWPEQWETDJLSH-ZDUSSCGKSA-N 1 2 294.301 1.167 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@H](C)[N@@H+](C)Cc1cc(OC)no1 ZINC001755311176 1185909783 /nfs/dbraw/zinc/90/97/83/1185909783.db2.gz JTCJTLBMZBQCDD-NSHDSACASA-N 1 2 295.383 1.832 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@H](C)[N@H+](C)Cc1cc(OC)no1 ZINC001755311176 1185909788 /nfs/dbraw/zinc/90/97/88/1185909788.db2.gz JTCJTLBMZBQCDD-NSHDSACASA-N 1 2 295.383 1.832 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)CNc1ccc(C#N)cc1 ZINC001772477944 1187252122 /nfs/dbraw/zinc/25/21/22/1187252122.db2.gz GLFUZVKIOKUSSJ-UHFFFAOYSA-N 1 2 283.335 1.063 20 30 CDEDLO C=CC[NH+]1CCN(c2nc(C)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001165033410 721865092 /nfs/dbraw/zinc/86/50/92/721865092.db2.gz NIWGCWYXEATONM-UHFFFAOYSA-N 1 2 297.746 1.655 20 30 CDEDLO C=CC[NH+]1CCN(c2cc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001165033115 721865105 /nfs/dbraw/zinc/86/51/05/721865105.db2.gz BYZBNJMNHQYYBO-UHFFFAOYSA-N 1 2 282.731 1.951 20 30 CDEDLO CC(C)[C@@H](C)[N@H+](C)Cn1nc(CC#N)n(C)c1=S ZINC000794621969 1164527148 /nfs/dbraw/zinc/52/71/48/1164527148.db2.gz ZQZXDAOPQVVKKI-SNVBAGLBSA-N 1 2 267.402 1.951 20 30 CDEDLO CC(C)[C@@H](C)[N@@H+](C)Cn1nc(CC#N)n(C)c1=S ZINC000794621969 1164527151 /nfs/dbraw/zinc/52/71/51/1164527151.db2.gz ZQZXDAOPQVVKKI-SNVBAGLBSA-N 1 2 267.402 1.951 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@H](Cc2ccccc2)CC1=O ZINC000872600762 1165456400 /nfs/dbraw/zinc/45/64/00/1165456400.db2.gz IZRLJOUGXOCITF-GDBMZVCRSA-N 1 2 270.376 1.989 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@H](Cc2ccccc2)CC1=O ZINC000872600762 1165456403 /nfs/dbraw/zinc/45/64/03/1165456403.db2.gz IZRLJOUGXOCITF-GDBMZVCRSA-N 1 2 270.376 1.989 20 30 CDEDLO CN(C)c1ncc(C=[NH+]Nc2ccc(C#N)cc2)cn1 ZINC000814802848 796459721 /nfs/dbraw/zinc/45/97/21/796459721.db2.gz AZKULOZXUIYUPB-UHFFFAOYSA-N 1 2 266.308 1.860 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc[nH]c2CC)C1 ZINC001035362770 796470729 /nfs/dbraw/zinc/47/07/29/796470729.db2.gz SCNZJMAGPMYEHE-LBPRGKRZSA-N 1 2 277.368 1.194 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc[nH]c2CC)C1 ZINC001035362770 796470732 /nfs/dbraw/zinc/47/07/32/796470732.db2.gz SCNZJMAGPMYEHE-LBPRGKRZSA-N 1 2 277.368 1.194 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cocc2C)C1 ZINC001035477361 796541428 /nfs/dbraw/zinc/54/14/28/796541428.db2.gz XSCZNKVEQGDHLJ-CYBMUJFWSA-N 1 2 278.352 1.595 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cocc2C)C1 ZINC001035477361 796541437 /nfs/dbraw/zinc/54/14/37/796541437.db2.gz XSCZNKVEQGDHLJ-CYBMUJFWSA-N 1 2 278.352 1.595 20 30 CDEDLO C[C@@H](CC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)n1cc[nH+]c1 ZINC000844387882 796567097 /nfs/dbraw/zinc/56/70/97/796567097.db2.gz XPPNTDQHBULOHE-JSGCOSHPSA-N 1 2 287.367 1.033 20 30 CDEDLO Cn1c(C#N)ccc1C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000822725641 796595910 /nfs/dbraw/zinc/59/59/10/796595910.db2.gz HQRDZNMCTWZMJM-AWEZNQCLSA-N 1 2 299.378 1.938 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)C1(C#N)CCCC1 ZINC000928645583 796597122 /nfs/dbraw/zinc/59/71/22/796597122.db2.gz WQNQUDHMRJBVSA-ZDUSSCGKSA-N 1 2 279.384 1.297 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccoc2C)C1 ZINC001035283600 796605585 /nfs/dbraw/zinc/60/55/85/796605585.db2.gz NPQDGFBPNWDPFF-CYBMUJFWSA-N 1 2 278.352 1.595 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccoc2C)C1 ZINC001035283600 796605589 /nfs/dbraw/zinc/60/55/89/796605589.db2.gz NPQDGFBPNWDPFF-CYBMUJFWSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001035393765 796654098 /nfs/dbraw/zinc/65/40/98/796654098.db2.gz FMBTYLNNAUYSMG-NWDGAFQWSA-N 1 2 288.338 1.425 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001035393765 796654104 /nfs/dbraw/zinc/65/41/04/796654104.db2.gz FMBTYLNNAUYSMG-NWDGAFQWSA-N 1 2 288.338 1.425 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1oc(C2CC2)nc1C ZINC001038788031 796716668 /nfs/dbraw/zinc/71/66/68/796716668.db2.gz KQBHCBPTCNAZSS-GFCCVEGCSA-N 1 2 275.352 1.851 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1oc(C2CC2)nc1C ZINC001038788031 796716677 /nfs/dbraw/zinc/71/66/77/796716677.db2.gz KQBHCBPTCNAZSS-GFCCVEGCSA-N 1 2 275.352 1.851 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)c(F)c1F ZINC001038726470 796751585 /nfs/dbraw/zinc/75/15/85/796751585.db2.gz ULAQPXWFJAOBFZ-LLVKDONJSA-N 1 2 278.302 1.711 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)c(F)c1F ZINC001038726470 796751587 /nfs/dbraw/zinc/75/15/87/796751587.db2.gz ULAQPXWFJAOBFZ-LLVKDONJSA-N 1 2 278.302 1.711 20 30 CDEDLO O=C(C#CC1CC1)N1CCC[N@@H+](C/C=C\Cl)CC1 ZINC000981127600 796771956 /nfs/dbraw/zinc/77/19/56/796771956.db2.gz DDUKVHKGWKOCCU-XFSBKJJWSA-N 1 2 266.772 1.687 20 30 CDEDLO O=C(C#CC1CC1)N1CCC[N@H+](C/C=C\Cl)CC1 ZINC000981127600 796771961 /nfs/dbraw/zinc/77/19/61/796771961.db2.gz DDUKVHKGWKOCCU-XFSBKJJWSA-N 1 2 266.772 1.687 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c[nH]nc2-c2ccoc2)C1 ZINC001030728611 796798367 /nfs/dbraw/zinc/79/83/67/796798367.db2.gz VBHZOSGVVBTMQW-UHFFFAOYSA-N 1 2 286.335 1.660 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C)on1)O2 ZINC001053568489 796838951 /nfs/dbraw/zinc/83/89/51/796838951.db2.gz MJMHJRDAVYNZIH-LBPRGKRZSA-N 1 2 291.351 1.132 20 30 CDEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(C3CC3)c(C#N)c2)C1 ZINC000882312331 796859482 /nfs/dbraw/zinc/85/94/82/796859482.db2.gz VQAHIFDNJCASFO-OAHLLOKOSA-N 1 2 285.347 1.705 20 30 CDEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(C3CC3)c(C#N)c2)C1 ZINC000882312331 796859487 /nfs/dbraw/zinc/85/94/87/796859487.db2.gz VQAHIFDNJCASFO-OAHLLOKOSA-N 1 2 285.347 1.705 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC001038793614 796864069 /nfs/dbraw/zinc/86/40/69/796864069.db2.gz ZDLYGOKUNIQMDO-VNQPRFMTSA-N 1 2 298.386 1.622 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC001038793614 796864071 /nfs/dbraw/zinc/86/40/71/796864071.db2.gz ZDLYGOKUNIQMDO-VNQPRFMTSA-N 1 2 298.386 1.622 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2ccccc2NC(C)=O)C1 ZINC001031120959 796865636 /nfs/dbraw/zinc/86/56/36/796865636.db2.gz HAOLKIGQYJJBLR-UHFFFAOYSA-N 1 2 287.363 1.174 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnn1C(CC)CC ZINC001038346101 796928403 /nfs/dbraw/zinc/92/84/03/796928403.db2.gz ONLCAOWRDDGBKJ-AWEZNQCLSA-N 1 2 288.395 1.682 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnn1C(CC)CC ZINC001038346101 796928412 /nfs/dbraw/zinc/92/84/12/796928412.db2.gz ONLCAOWRDDGBKJ-AWEZNQCLSA-N 1 2 288.395 1.682 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cnc(C)[nH]3)cc2C1 ZINC001054258924 796981765 /nfs/dbraw/zinc/98/17/65/796981765.db2.gz FUMHHPHTYKOSTK-UHFFFAOYSA-N 1 2 294.358 1.597 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cnc(C)[nH]3)cc2C1 ZINC001054258924 796981771 /nfs/dbraw/zinc/98/17/71/796981771.db2.gz FUMHHPHTYKOSTK-UHFFFAOYSA-N 1 2 294.358 1.597 20 30 CDEDLO CCOc1cccc(/C=N/[C@@H](C)C[NH+]2CCOCC2)c1O ZINC000193334550 797008361 /nfs/dbraw/zinc/00/83/61/797008361.db2.gz QLVQDNYEQVMUDO-HNEYUBDGSA-N 1 2 292.379 1.931 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncc(F)c1 ZINC001038160160 797036151 /nfs/dbraw/zinc/03/61/51/797036151.db2.gz DPHXNWLESQPXIC-CYBMUJFWSA-N 1 2 261.300 1.048 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cncc(F)c1 ZINC001038160160 797036158 /nfs/dbraw/zinc/03/61/58/797036158.db2.gz DPHXNWLESQPXIC-CYBMUJFWSA-N 1 2 261.300 1.048 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001032167859 797060964 /nfs/dbraw/zinc/06/09/64/797060964.db2.gz GILYWCLEYAIXDG-UHFFFAOYSA-N 1 2 281.743 1.201 20 30 CDEDLO Cc1nc(N2C[C@@H]3CCCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)cc[nH+]1 ZINC001066220472 797070349 /nfs/dbraw/zinc/07/03/49/797070349.db2.gz QLKNRIJUDKQOLY-FPMFFAJLSA-N 1 2 299.378 1.372 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2c(OC)ccnc2OC)C1 ZINC001030668131 797072583 /nfs/dbraw/zinc/07/25/83/797072583.db2.gz VOLBAAIILFNUTR-UHFFFAOYSA-N 1 2 291.351 1.089 20 30 CDEDLO C=CCc1cc(C[N@@H+]2CCN(C)C(=O)C2)c(O)c(OC)c1 ZINC000844731846 797090268 /nfs/dbraw/zinc/09/02/68/797090268.db2.gz URVABLBJWVRQRC-UHFFFAOYSA-N 1 2 290.363 1.403 20 30 CDEDLO C=CCc1cc(C[N@H+]2CCN(C)C(=O)C2)c(O)c(OC)c1 ZINC000844731846 797090276 /nfs/dbraw/zinc/09/02/76/797090276.db2.gz URVABLBJWVRQRC-UHFFFAOYSA-N 1 2 290.363 1.403 20 30 CDEDLO CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001032236189 797136626 /nfs/dbraw/zinc/13/66/26/797136626.db2.gz ZGHJTYVMYXMUHK-KBPBESRZSA-N 1 2 273.311 1.502 20 30 CDEDLO CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001032236189 797136663 /nfs/dbraw/zinc/13/66/63/797136663.db2.gz ZGHJTYVMYXMUHK-KBPBESRZSA-N 1 2 273.311 1.502 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1oc(CC)nc1C ZINC001038882485 797359022 /nfs/dbraw/zinc/35/90/22/797359022.db2.gz QRVGMGXOMRKSAC-NSHDSACASA-N 1 2 263.341 1.536 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1oc(CC)nc1C ZINC001038882485 797359029 /nfs/dbraw/zinc/35/90/29/797359029.db2.gz QRVGMGXOMRKSAC-NSHDSACASA-N 1 2 263.341 1.536 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc2c1OCCO2 ZINC000819419730 797359918 /nfs/dbraw/zinc/35/99/18/797359918.db2.gz HYBXRQPSKFORII-LBPRGKRZSA-N 1 2 291.351 1.076 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc2c1OCCO2 ZINC000819419730 797359926 /nfs/dbraw/zinc/35/99/26/797359926.db2.gz HYBXRQPSKFORII-LBPRGKRZSA-N 1 2 291.351 1.076 20 30 CDEDLO C#C[C@H](CC)NC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000806363515 797383923 /nfs/dbraw/zinc/38/39/23/797383923.db2.gz CHISIPGBFFXMSL-LLVKDONJSA-N 1 2 260.341 1.989 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(C)(C)C)nn1C ZINC001038669885 797387880 /nfs/dbraw/zinc/38/78/80/797387880.db2.gz KIAIDXQCNXPVEI-LBPRGKRZSA-N 1 2 288.395 1.155 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(C)(C)C)nn1C ZINC001038669885 797387887 /nfs/dbraw/zinc/38/78/87/797387887.db2.gz KIAIDXQCNXPVEI-LBPRGKRZSA-N 1 2 288.395 1.155 20 30 CDEDLO Cn1cc[nH+]c1CCCOC(=O)c1c[nH]c(C#N)c1 ZINC000802786188 797446469 /nfs/dbraw/zinc/44/64/69/797446469.db2.gz NOZSLRGMEAATHN-UHFFFAOYSA-N 1 2 258.281 1.409 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC001050813096 797594190 /nfs/dbraw/zinc/59/41/90/797594190.db2.gz PKPCAFCIPRGSAY-LBPRGKRZSA-N 1 2 297.786 1.675 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC001050813096 797594216 /nfs/dbraw/zinc/59/42/16/797594216.db2.gz PKPCAFCIPRGSAY-LBPRGKRZSA-N 1 2 297.786 1.675 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2nccn2C)C1 ZINC001027336267 797629339 /nfs/dbraw/zinc/62/93/39/797629339.db2.gz OZMQYVVQEXNBGX-STQMWFEESA-N 1 2 289.383 1.003 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2nccn2C)C1 ZINC001027336267 797629350 /nfs/dbraw/zinc/62/93/50/797629350.db2.gz OZMQYVVQEXNBGX-STQMWFEESA-N 1 2 289.383 1.003 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC001044248188 797755593 /nfs/dbraw/zinc/75/55/93/797755593.db2.gz XQSSTVNTONJVRW-UHFFFAOYSA-N 1 2 284.363 1.434 20 30 CDEDLO COc1ccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1C#N ZINC000830413231 797768868 /nfs/dbraw/zinc/76/88/68/797768868.db2.gz KUVPUXFSSARLFR-NSHDSACASA-N 1 2 296.330 1.964 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ncccc2O)CC[C@@H]1C ZINC001071454457 797861880 /nfs/dbraw/zinc/86/18/80/797861880.db2.gz LVUIOAYDDBLXMG-RYUDHWBXSA-N 1 2 273.336 1.003 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ncccc2O)CC[C@@H]1C ZINC001071454457 797861881 /nfs/dbraw/zinc/86/18/81/797861881.db2.gz LVUIOAYDDBLXMG-RYUDHWBXSA-N 1 2 273.336 1.003 20 30 CDEDLO N#CCN1C[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C1 ZINC001048895196 797876365 /nfs/dbraw/zinc/87/63/65/797876365.db2.gz NGWULFKFTDUMIR-BETUJISGSA-N 1 2 295.346 1.090 20 30 CDEDLO C#CC1(F)CN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000883552607 797884398 /nfs/dbraw/zinc/88/43/98/797884398.db2.gz WAEGEGQXCCARSW-GFCCVEGCSA-N 1 2 288.326 1.027 20 30 CDEDLO NC(Cc1ccccc1)=[NH+]OCC(=O)NCc1ccco1 ZINC000071939159 797941875 /nfs/dbraw/zinc/94/18/75/797941875.db2.gz AIAVBGNZXABIMT-UHFFFAOYSA-N 1 2 287.319 1.427 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(-c3ncon3)c2)C1 ZINC001030941028 797956077 /nfs/dbraw/zinc/95/60/77/797956077.db2.gz OHNQWAVGLWSLSA-UHFFFAOYSA-N 1 2 296.330 1.174 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCOCC1 ZINC001050895171 797983756 /nfs/dbraw/zinc/98/37/56/797983756.db2.gz YWLJIIQFXCSQTE-HUUCEWRRSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCOCC1 ZINC001050895171 797983768 /nfs/dbraw/zinc/98/37/68/797983768.db2.gz YWLJIIQFXCSQTE-HUUCEWRRSA-N 1 2 296.411 1.196 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2sc(C)nc2C)CC1 ZINC000989627605 798036940 /nfs/dbraw/zinc/03/69/40/798036940.db2.gz DGGKJRGLMSEQAC-UHFFFAOYSA-N 1 2 277.393 1.541 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2sc(C)nc2C)CC1 ZINC000989627605 798036947 /nfs/dbraw/zinc/03/69/47/798036947.db2.gz DGGKJRGLMSEQAC-UHFFFAOYSA-N 1 2 277.393 1.541 20 30 CDEDLO C#CC1(F)CN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000881938691 798057324 /nfs/dbraw/zinc/05/73/24/798057324.db2.gz VAJYHAZBWBBOLP-VIFPVBQESA-N 1 2 289.232 1.560 20 30 CDEDLO C[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2O)[C@@H]1CO ZINC001232674042 912381678 /nfs/dbraw/zinc/38/16/78/912381678.db2.gz QOFMMFGAEQHMQM-BXUZGUMPSA-N 1 2 260.337 1.857 20 30 CDEDLO C[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2O)[C@@H]1CO ZINC001232674042 912381690 /nfs/dbraw/zinc/38/16/90/912381690.db2.gz QOFMMFGAEQHMQM-BXUZGUMPSA-N 1 2 260.337 1.857 20 30 CDEDLO C=CCOC1CCC([NH2+][C@@H](C(=O)OCC)[C@@H](C)O)CC1 ZINC001173314195 912449810 /nfs/dbraw/zinc/44/98/10/912449810.db2.gz LTUMGCYKQFANDG-BLYZHGLHSA-N 1 2 285.384 1.402 20 30 CDEDLO C[NH+](C)CCNC(=S)Nc1cc(C#N)c(F)cc1O ZINC001249839978 914989580 /nfs/dbraw/zinc/98/95/80/914989580.db2.gz ACVCMMMVXJRHSY-UHFFFAOYSA-N 1 2 282.344 1.251 20 30 CDEDLO C=C(Cl)CN1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001483708231 912949031 /nfs/dbraw/zinc/94/90/31/912949031.db2.gz VFDYNKZXLXGOTE-CYBMUJFWSA-N 1 2 296.802 1.606 20 30 CDEDLO C#Cc1cc(Nc2ccc(CNC(C)=O)cc2)cc[nH+]1 ZINC001174232172 913031496 /nfs/dbraw/zinc/03/14/96/913031496.db2.gz IBBJVMBOSTYHEN-UHFFFAOYSA-N 1 2 265.316 1.865 20 30 CDEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(C)[nH]n1)CC2 ZINC001272544688 913408245 /nfs/dbraw/zinc/40/82/45/913408245.db2.gz UAAONVDRUWHYGH-CQSZACIVSA-N 1 2 286.379 1.070 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc(-n3cccn3)c2)C1 ZINC001031106334 913614462 /nfs/dbraw/zinc/61/44/62/913614462.db2.gz XGWYTSMEAHZSEB-UHFFFAOYSA-N 1 2 296.374 1.862 20 30 CDEDLO C#Cc1cc(Nc2ccc([S@](C)=O)cc2)cc[nH+]1 ZINC001175470473 913618891 /nfs/dbraw/zinc/61/88/91/913618891.db2.gz DZOFCKOFMOMPBI-SFHVURJKSA-N 1 2 256.330 1.966 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1c(C2CC2)cnn1C ZINC001480872382 894774340 /nfs/dbraw/zinc/77/43/40/894774340.db2.gz TYFBATHTDNRROU-UHFFFAOYSA-N 1 2 296.802 1.712 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1c(C2CC2)cnn1C ZINC001480872382 894774346 /nfs/dbraw/zinc/77/43/46/894774346.db2.gz TYFBATHTDNRROU-UHFFFAOYSA-N 1 2 296.802 1.712 20 30 CDEDLO N#Cc1cncc([NH+]=C(NO)c2ccccc2N)c1 ZINC001210089304 895058649 /nfs/dbraw/zinc/05/86/49/895058649.db2.gz MTEQCKYBQJTRAW-UHFFFAOYSA-N 1 2 253.265 1.593 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2coc(C(F)F)c2)[C@@H](O)C1 ZINC001083730903 913962957 /nfs/dbraw/zinc/96/29/57/913962957.db2.gz WYEVAJJLXSLZNM-MNOVXSKESA-N 1 2 298.289 1.015 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2coc(C(F)F)c2)[C@@H](O)C1 ZINC001083730903 913962969 /nfs/dbraw/zinc/96/29/69/913962969.db2.gz WYEVAJJLXSLZNM-MNOVXSKESA-N 1 2 298.289 1.015 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2CCO[C@@H](CC)C2)C1 ZINC001031217720 914078639 /nfs/dbraw/zinc/07/86/39/914078639.db2.gz OKZKZIYKCDWEKS-ZFWWWQNUSA-N 1 2 278.396 1.405 20 30 CDEDLO COc1ccc(NCc2cc[nH+]c(N)c2)nc1CC#N ZINC001167617682 897059109 /nfs/dbraw/zinc/05/91/09/897059109.db2.gz VXVZBGVAHLDEES-UHFFFAOYSA-N 1 2 269.308 1.746 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1csc([C@H](C)OC)n1 ZINC001038254026 897339688 /nfs/dbraw/zinc/33/96/88/897339688.db2.gz QDYOPIUNOWHCRF-QWRGUYRKSA-N 1 2 293.392 1.288 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1csc([C@H](C)OC)n1 ZINC001038254026 897339702 /nfs/dbraw/zinc/33/97/02/897339702.db2.gz QDYOPIUNOWHCRF-QWRGUYRKSA-N 1 2 293.392 1.288 20 30 CDEDLO C#CCOCCC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000179386590 898008098 /nfs/dbraw/zinc/00/80/98/898008098.db2.gz OJVDWGVPXDQUOW-UHFFFAOYSA-N 1 2 290.363 1.705 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](NC(C)=O)C2)c1 ZINC001006499752 898752889 /nfs/dbraw/zinc/75/28/89/898752889.db2.gz VVFQQWMTTKQUFW-INIZCTEOSA-N 1 2 299.374 1.207 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](NC(C)=O)C2)c1 ZINC001006499752 898752899 /nfs/dbraw/zinc/75/28/99/898752899.db2.gz VVFQQWMTTKQUFW-INIZCTEOSA-N 1 2 299.374 1.207 20 30 CDEDLO N#CCCN(Cc1cccnc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001176829712 914282629 /nfs/dbraw/zinc/28/26/29/914282629.db2.gz YGHJPJAWKIWSSX-UHFFFAOYSA-N 1 2 269.308 1.290 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C2CC2)CC1 ZINC001235687777 914285183 /nfs/dbraw/zinc/28/51/83/914285183.db2.gz ZTKMIPUWWVXBDR-HNNXBMFYSA-N 1 2 290.407 1.359 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(C2CC2)CC1 ZINC001235687777 914285192 /nfs/dbraw/zinc/28/51/92/914285192.db2.gz ZTKMIPUWWVXBDR-HNNXBMFYSA-N 1 2 290.407 1.359 20 30 CDEDLO N#Cc1cccc2[nH]nc(NC(=O)CCn3cc[nH+]c3)c21 ZINC001176873234 914321565 /nfs/dbraw/zinc/32/15/65/914321565.db2.gz BTFPTUZTOQNIJP-UHFFFAOYSA-N 1 2 280.291 1.660 20 30 CDEDLO C=CC[NH2+]C[C@H]1CN(C(=O)C(F)C(F)(F)F)CCCO1 ZINC001200555198 900268808 /nfs/dbraw/zinc/26/88/08/900268808.db2.gz PCKRATMKXRQNEB-VHSXEESVSA-N 1 2 298.280 1.280 20 30 CDEDLO C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H](F)C(F)(F)F)CCCO1 ZINC001200555198 900268817 /nfs/dbraw/zinc/26/88/17/900268817.db2.gz PCKRATMKXRQNEB-VHSXEESVSA-N 1 2 298.280 1.280 20 30 CDEDLO CC(C)(F)C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001009853731 900699656 /nfs/dbraw/zinc/69/96/56/900699656.db2.gz AXUKAXFEGYMIHQ-OAHLLOKOSA-N 1 2 288.366 1.977 20 30 CDEDLO CC(C)(F)C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001009853731 900699661 /nfs/dbraw/zinc/69/96/61/900699661.db2.gz AXUKAXFEGYMIHQ-OAHLLOKOSA-N 1 2 288.366 1.977 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](CC)[C@H]2C1 ZINC001177108142 914489763 /nfs/dbraw/zinc/48/97/63/914489763.db2.gz YMFAMFBLEWNJFO-UONOGXRCSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](CC)[C@H]2C1 ZINC001177108142 914489772 /nfs/dbraw/zinc/48/97/72/914489772.db2.gz YMFAMFBLEWNJFO-UONOGXRCSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccccc2F)C1 ZINC001031339675 914534334 /nfs/dbraw/zinc/53/43/34/914534334.db2.gz DTJKXWURTSJOCG-UHFFFAOYSA-N 1 2 262.328 1.745 20 30 CDEDLO C#CCCCC(=O)NCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001126339320 901800289 /nfs/dbraw/zinc/80/02/89/901800289.db2.gz WXVHSFLBEVLBJU-GFCCVEGCSA-N 1 2 263.341 1.553 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccoc2C(C)C)C1 ZINC001031463748 914654914 /nfs/dbraw/zinc/65/49/14/914654914.db2.gz WMZHJHJQLIXJDU-UHFFFAOYSA-N 1 2 260.337 1.840 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001103938009 902815092 /nfs/dbraw/zinc/81/50/92/902815092.db2.gz QJEHRISZXWARCO-NHYWBVRUSA-N 1 2 292.383 1.276 20 30 CDEDLO N#CC1(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccco2)CCC1 ZINC001177613191 914798668 /nfs/dbraw/zinc/79/86/68/914798668.db2.gz SNSDRJXKVNAUJV-CYBMUJFWSA-N 1 2 273.336 1.806 20 30 CDEDLO N#CC1(NC(=O)[C@H]2CCC[N@H+]2Cc2ccco2)CCC1 ZINC001177613191 914798676 /nfs/dbraw/zinc/79/86/76/914798676.db2.gz SNSDRJXKVNAUJV-CYBMUJFWSA-N 1 2 273.336 1.806 20 30 CDEDLO C#CCCCCC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000181617002 905275593 /nfs/dbraw/zinc/27/55/93/905275593.db2.gz YUIMNQXKSOAHAU-ZDUSSCGKSA-N 1 2 253.342 1.444 20 30 CDEDLO C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH]ncc32)[C@H]1C ZINC001088567951 907981195 /nfs/dbraw/zinc/98/11/95/907981195.db2.gz LVDIJPSZEOPEKV-BZPMIXESSA-N 1 2 288.395 1.595 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH]ncc32)[C@H]1C ZINC001088567951 907981202 /nfs/dbraw/zinc/98/12/02/907981202.db2.gz LVDIJPSZEOPEKV-BZPMIXESSA-N 1 2 288.395 1.595 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccon2)C1 ZINC001189280327 921398361 /nfs/dbraw/zinc/39/83/61/921398361.db2.gz RFPIYPNUWPFZOR-CYBMUJFWSA-N 1 2 263.341 1.674 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccon2)C1 ZINC001189280327 921398367 /nfs/dbraw/zinc/39/83/67/921398367.db2.gz RFPIYPNUWPFZOR-CYBMUJFWSA-N 1 2 263.341 1.674 20 30 CDEDLO C[C@H]1C[C@@H](NCC#N)CN1C(=O)c1cccc2[nH+]ccn21 ZINC000989187321 908709803 /nfs/dbraw/zinc/70/98/03/908709803.db2.gz ZUUWMUIMDIDNSK-NWDGAFQWSA-N 1 2 283.335 1.050 20 30 CDEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)C1CCC1)c1nccn12 ZINC001092342699 909380972 /nfs/dbraw/zinc/38/09/72/909380972.db2.gz TXZNDONZMQOLGW-AWEZNQCLSA-N 1 2 298.390 1.278 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CCC1)c1nccn12 ZINC001092342259 909384812 /nfs/dbraw/zinc/38/48/12/909384812.db2.gz KEKTYAHPELJFDN-CYBMUJFWSA-N 1 2 286.379 1.441 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC13CC3)c1nccn12 ZINC001092399784 909385496 /nfs/dbraw/zinc/38/54/96/909385496.db2.gz GNSYKNBGYNPVLH-STQMWFEESA-N 1 2 298.390 1.441 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccnc1C(F)F ZINC001038495360 909623367 /nfs/dbraw/zinc/62/33/67/909623367.db2.gz CQBQWCUNZZROND-NSHDSACASA-N 1 2 293.317 1.847 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccnc1C(F)F ZINC001038495360 909623376 /nfs/dbraw/zinc/62/33/76/909623376.db2.gz CQBQWCUNZZROND-NSHDSACASA-N 1 2 293.317 1.847 20 30 CDEDLO CCc1noc([C@H](C)[NH2+]CCNC(=O)C#CC(C)(C)C)n1 ZINC001126907583 909688852 /nfs/dbraw/zinc/68/88/52/909688852.db2.gz RCXBEYGBWUMZQG-NSHDSACASA-N 1 2 292.383 1.448 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C)O3)[C@@H]2C1 ZINC001076266703 909825990 /nfs/dbraw/zinc/82/59/90/909825990.db2.gz JCQFDRWNPDBTHJ-XJFOESAGSA-N 1 2 298.814 1.839 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C)O3)[C@@H]2C1 ZINC001076266703 909826004 /nfs/dbraw/zinc/82/60/04/909826004.db2.gz JCQFDRWNPDBTHJ-XJFOESAGSA-N 1 2 298.814 1.839 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)cs2)C1 ZINC001076969539 910136541 /nfs/dbraw/zinc/13/65/41/910136541.db2.gz ZKOBUASZSVLZBE-GHMZBOCLSA-N 1 2 266.366 1.017 20 30 CDEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)cs2)C1 ZINC001076969539 910136546 /nfs/dbraw/zinc/13/65/46/910136546.db2.gz ZKOBUASZSVLZBE-GHMZBOCLSA-N 1 2 266.366 1.017 20 30 CDEDLO C=C(C)CCC(=O)NCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001093907557 910217051 /nfs/dbraw/zinc/21/70/51/910217051.db2.gz OPIGWUUPEHFQOC-UHFFFAOYSA-N 1 2 292.387 1.130 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCCCNc1cc[nH+]c(C)n1 ZINC001094384066 910594857 /nfs/dbraw/zinc/59/48/57/910594857.db2.gz DOBOCMXOYYMHFH-CQSZACIVSA-N 1 2 278.356 1.030 20 30 CDEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cnc[nH]1 ZINC001273024022 921611676 /nfs/dbraw/zinc/61/16/76/921611676.db2.gz UPJRJHQLCZHBIM-ZIAGYGMSSA-N 1 2 287.367 1.279 20 30 CDEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cnc[nH]1 ZINC001273024022 921611685 /nfs/dbraw/zinc/61/16/85/921611685.db2.gz UPJRJHQLCZHBIM-ZIAGYGMSSA-N 1 2 287.367 1.279 20 30 CDEDLO C=CCO[C@@H](C)C(=O)NCC1(Nc2cc[nH+]c(C)n2)CC1 ZINC001110164978 911188769 /nfs/dbraw/zinc/18/87/69/911188769.db2.gz VMIPCVIXWZQNHZ-NSHDSACASA-N 1 2 290.367 1.437 20 30 CDEDLO N#Cc1cccc(Nc2ccc(C[NH+]3CC(O)C3)cc2)n1 ZINC001212665388 911730713 /nfs/dbraw/zinc/73/07/13/911730713.db2.gz LPVQNDKTGQJTAT-UHFFFAOYSA-N 1 2 280.331 1.873 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccnc1)CO2 ZINC001053716298 936417459 /nfs/dbraw/zinc/41/74/59/936417459.db2.gz PPCKMRBNVXIETE-CQSZACIVSA-N 1 2 287.363 1.231 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCC1(C)C)CCO2 ZINC001053386971 936412393 /nfs/dbraw/zinc/41/23/93/936412393.db2.gz QFSKPDSHVCFTTQ-CQSZACIVSA-N 1 2 292.423 1.912 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC=CCC1)CO2 ZINC001053735445 936419219 /nfs/dbraw/zinc/41/92/19/936419219.db2.gz GEFVSILFSBBIAV-HUUCEWRRSA-N 1 2 290.407 1.878 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1occc1C)CO2 ZINC001053741067 936419743 /nfs/dbraw/zinc/41/97/43/936419743.db2.gz ZSRMQTNQYYANKJ-ZDUSSCGKSA-N 1 2 288.347 1.184 20 30 CDEDLO CCCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000829969162 936440471 /nfs/dbraw/zinc/44/04/71/936440471.db2.gz NMSGQLUUBWVTBO-UKRRQHHQSA-N 1 2 281.400 1.422 20 30 CDEDLO CCCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000829969162 936440472 /nfs/dbraw/zinc/44/04/72/936440472.db2.gz NMSGQLUUBWVTBO-UKRRQHHQSA-N 1 2 281.400 1.422 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](C[C@H](O)c2c(F)cccc2F)C1 ZINC000829975743 936440535 /nfs/dbraw/zinc/44/05/35/936440535.db2.gz TVRFLQIMECRBPS-GXTWGEPZSA-N 1 2 282.290 1.349 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](C[C@H](O)c2c(F)cccc2F)C1 ZINC000829975743 936440536 /nfs/dbraw/zinc/44/05/36/936440536.db2.gz TVRFLQIMECRBPS-GXTWGEPZSA-N 1 2 282.290 1.349 20 30 CDEDLO CC(C)C#CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2csnn2)C1 ZINC001182422919 917852012 /nfs/dbraw/zinc/85/20/12/917852012.db2.gz IDWHQYUDHVSKCN-NWDGAFQWSA-N 1 2 292.408 1.449 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cccn2CC)C1 ZINC001032187723 917871187 /nfs/dbraw/zinc/87/11/87/917871187.db2.gz BMZOQSANZDEWRZ-UHFFFAOYSA-N 1 2 281.787 1.922 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2cnsn2)C(C)(C)C1 ZINC000995548714 917964763 /nfs/dbraw/zinc/96/47/63/917964763.db2.gz SDNJQJIJKXIXJD-MWLCHTKSSA-N 1 2 293.396 1.024 20 30 CDEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](C)CC)nn2)C1 ZINC001107131832 918167168 /nfs/dbraw/zinc/16/71/68/918167168.db2.gz AWOYCPAFUZGEPB-GFCCVEGCSA-N 1 2 291.399 1.373 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)Nc1ccc(C#N)nc1 ZINC001097975481 936485031 /nfs/dbraw/zinc/48/50/31/936485031.db2.gz SXPTWRUQROIOAY-SNVBAGLBSA-N 1 2 298.350 1.144 20 30 CDEDLO N#Cc1ccc(OCC(=O)NCCOc2cc[nH+]cc2)cc1 ZINC001182925241 918201427 /nfs/dbraw/zinc/20/14/27/918201427.db2.gz YSRCPJSGFWHZMU-UHFFFAOYSA-N 1 2 297.314 1.527 20 30 CDEDLO N#Cc1cccnc1NC/C=C/CNC(=O)Cc1c[nH]c[nH+]1 ZINC001107539465 918441564 /nfs/dbraw/zinc/44/15/64/918441564.db2.gz MSSGEGIVAJHGDY-OWOJBTEDSA-N 1 2 296.334 1.003 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccccn2)C1 ZINC001107686291 918616892 /nfs/dbraw/zinc/61/68/92/918616892.db2.gz XADPFOLPMBJHQU-OAHLLOKOSA-N 1 2 275.352 1.088 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccccn2)C1 ZINC001107686291 918616901 /nfs/dbraw/zinc/61/69/01/918616901.db2.gz XADPFOLPMBJHQU-OAHLLOKOSA-N 1 2 275.352 1.088 20 30 CDEDLO Cc1nc(N[C@@H]2CCN(C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001056629053 936522848 /nfs/dbraw/zinc/52/28/48/936522848.db2.gz RGZADWWMCOXQCG-CYBMUJFWSA-N 1 2 270.336 1.211 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)/C(C)=C/CC)C1 ZINC001107784426 918778249 /nfs/dbraw/zinc/77/82/49/918778249.db2.gz XIEHKWRVCOKMEU-SBNBMVPLSA-N 1 2 278.396 1.573 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)/C(C)=C/CC)C1 ZINC001107784426 918778260 /nfs/dbraw/zinc/77/82/60/918778260.db2.gz XIEHKWRVCOKMEU-SBNBMVPLSA-N 1 2 278.396 1.573 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2csnn2)CC1 ZINC001001013116 936545540 /nfs/dbraw/zinc/54/55/40/936545540.db2.gz VMGAPZZDDZMTHJ-UHFFFAOYSA-N 1 2 298.799 1.653 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2csnn2)CC1 ZINC001001013116 936545543 /nfs/dbraw/zinc/54/55/43/936545543.db2.gz VMGAPZZDDZMTHJ-UHFFFAOYSA-N 1 2 298.799 1.653 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)/C=C/c2ccc[nH]2)C1 ZINC001107897653 919018776 /nfs/dbraw/zinc/01/87/76/919018776.db2.gz MBNREYAZJWZNMY-MOEXGYKKSA-N 1 2 289.379 1.421 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)/C=C/c2ccc[nH]2)C1 ZINC001107897653 919018792 /nfs/dbraw/zinc/01/87/92/919018792.db2.gz MBNREYAZJWZNMY-MOEXGYKKSA-N 1 2 289.379 1.421 20 30 CDEDLO C=CC[N@H+]1CC=C(CNC(=O)c2ccc3[nH]nnc3c2)CC1 ZINC001001443457 936552019 /nfs/dbraw/zinc/55/20/19/936552019.db2.gz MYUXGOSIMRCWLQ-UHFFFAOYSA-N 1 2 297.362 1.506 20 30 CDEDLO C=CC[N@@H+]1CC=C(CNC(=O)c2ccc3[nH]nnc3c2)CC1 ZINC001001443457 936552021 /nfs/dbraw/zinc/55/20/21/936552021.db2.gz MYUXGOSIMRCWLQ-UHFFFAOYSA-N 1 2 297.362 1.506 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001107921801 919053533 /nfs/dbraw/zinc/05/35/33/919053533.db2.gz DUYAXTFSLCXVCV-CMPLNLGQSA-N 1 2 274.311 1.035 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001107921801 919053547 /nfs/dbraw/zinc/05/35/47/919053547.db2.gz DUYAXTFSLCXVCV-CMPLNLGQSA-N 1 2 274.311 1.035 20 30 CDEDLO C#CCN1CC[NH+](Cc2cnn(CCC)c2C)CC1 ZINC001138640436 936553687 /nfs/dbraw/zinc/55/36/87/936553687.db2.gz QFSJZUMWLHRMJC-UHFFFAOYSA-N 1 2 260.385 1.352 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnn(CCC)c2C)CC1 ZINC001138640436 936553688 /nfs/dbraw/zinc/55/36/88/936553688.db2.gz QFSJZUMWLHRMJC-UHFFFAOYSA-N 1 2 260.385 1.352 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1occc1C ZINC001050822705 936565511 /nfs/dbraw/zinc/56/55/11/936565511.db2.gz NJXMYYWVGWYHPK-CQSZACIVSA-N 1 2 292.379 1.985 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1occc1C ZINC001050822705 936565513 /nfs/dbraw/zinc/56/55/13/936565513.db2.gz NJXMYYWVGWYHPK-CQSZACIVSA-N 1 2 292.379 1.985 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cocn1 ZINC001050841893 936565800 /nfs/dbraw/zinc/56/58/00/936565800.db2.gz LOPQYTCPPMWHKJ-LBPRGKRZSA-N 1 2 279.340 1.071 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cocn1 ZINC001050841893 936565802 /nfs/dbraw/zinc/56/58/02/936565802.db2.gz LOPQYTCPPMWHKJ-LBPRGKRZSA-N 1 2 279.340 1.071 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001051074019 936568394 /nfs/dbraw/zinc/56/83/94/936568394.db2.gz FLGWWDPKKMMJDQ-KBPBESRZSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001051074019 936568396 /nfs/dbraw/zinc/56/83/96/936568396.db2.gz FLGWWDPKKMMJDQ-KBPBESRZSA-N 1 2 280.412 1.816 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ncccn1 ZINC001272795012 919306718 /nfs/dbraw/zinc/30/67/18/919306718.db2.gz YUUSKYMUNGWXJB-MRXNPFEDSA-N 1 2 284.363 1.067 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ncccn1 ZINC001272795012 919306728 /nfs/dbraw/zinc/30/67/28/919306728.db2.gz YUUSKYMUNGWXJB-MRXNPFEDSA-N 1 2 284.363 1.067 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cncc(F)c2)C1=O ZINC001272795686 919308923 /nfs/dbraw/zinc/30/89/23/919308923.db2.gz QQKPUHNEARJIJE-MRXNPFEDSA-N 1 2 287.338 1.421 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cncc(F)c2)C1=O ZINC001272795686 919308936 /nfs/dbraw/zinc/30/89/36/919308936.db2.gz QQKPUHNEARJIJE-MRXNPFEDSA-N 1 2 287.338 1.421 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(F)(F)F ZINC001032570676 919415636 /nfs/dbraw/zinc/41/56/36/919415636.db2.gz FHSHFAKYFBXSLK-VWYCJHECSA-N 1 2 274.286 1.493 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(F)(F)F ZINC001032570676 919415647 /nfs/dbraw/zinc/41/56/47/919415647.db2.gz FHSHFAKYFBXSLK-VWYCJHECSA-N 1 2 274.286 1.493 20 30 CDEDLO C[C@H](C#N)OCCO[NH+]=C(N)c1ccc(F)cc1 ZINC000802727361 919431206 /nfs/dbraw/zinc/43/12/06/919431206.db2.gz GYPCVHXGUGYIGX-SECBINFHSA-N 1 2 251.261 1.391 20 30 CDEDLO CN(C(=O)c1cccc2[nH+]ccn21)C1CC(NCC#N)C1 ZINC000999110487 919667728 /nfs/dbraw/zinc/66/77/28/919667728.db2.gz KUHPOLATVRJMFV-UHFFFAOYSA-N 1 2 283.335 1.050 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001128084816 919800916 /nfs/dbraw/zinc/80/09/16/919800916.db2.gz DQNGGVJVEWVQNI-UHFFFAOYSA-N 1 2 292.383 1.606 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2ccccc2CO1 ZINC001032760053 919956706 /nfs/dbraw/zinc/95/67/06/919956706.db2.gz LCIQXXYVYMSRLV-ULQDDVLXSA-N 1 2 296.370 1.046 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2ccccc2CO1 ZINC001032760053 919956721 /nfs/dbraw/zinc/95/67/21/919956721.db2.gz LCIQXXYVYMSRLV-ULQDDVLXSA-N 1 2 296.370 1.046 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2Cl)C1 ZINC001078057394 920083581 /nfs/dbraw/zinc/08/35/81/920083581.db2.gz AUNSYSIZLFPMPU-ZIAGYGMSSA-N 1 2 292.766 1.138 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2Cl)C1 ZINC001078057394 920083589 /nfs/dbraw/zinc/08/35/89/920083589.db2.gz AUNSYSIZLFPMPU-ZIAGYGMSSA-N 1 2 292.766 1.138 20 30 CDEDLO C#CCC1(C(=O)NC[C@@H](C)Nc2cc[nH+]c(C)n2)CCC1 ZINC001098091477 936637765 /nfs/dbraw/zinc/63/77/65/936637765.db2.gz GIPCVQUNTSMFRR-GFCCVEGCSA-N 1 2 286.379 1.895 20 30 CDEDLO COCCOC1C[NH+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139707951 936638260 /nfs/dbraw/zinc/63/82/60/936638260.db2.gz ZQHXWNAMJLKVJD-UHFFFAOYSA-N 1 2 285.347 1.887 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC(C)C)[C@@H](O)C1 ZINC001099637588 920285718 /nfs/dbraw/zinc/28/57/18/920285718.db2.gz XWDCWMNBKQRIDS-RYUDHWBXSA-N 1 2 274.792 1.336 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC(C)C)[C@@H](O)C1 ZINC001099637588 920285723 /nfs/dbraw/zinc/28/57/23/920285723.db2.gz XWDCWMNBKQRIDS-RYUDHWBXSA-N 1 2 274.792 1.336 20 30 CDEDLO C#CCCC[N@@H+]1C[C@]2(F)CN(CC=C)C(=O)[C@]2(F)C1 ZINC001273538617 920470221 /nfs/dbraw/zinc/47/02/21/920470221.db2.gz ZHAVOSDDUDGIAB-UONOGXRCSA-N 1 2 268.307 1.160 20 30 CDEDLO C#CCCC[N@H+]1C[C@]2(F)CN(CC=C)C(=O)[C@]2(F)C1 ZINC001273538617 920470224 /nfs/dbraw/zinc/47/02/24/920470224.db2.gz ZHAVOSDDUDGIAB-UONOGXRCSA-N 1 2 268.307 1.160 20 30 CDEDLO C[C@H]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CN1CC#N ZINC001071611133 936686379 /nfs/dbraw/zinc/68/63/79/936686379.db2.gz ZPGVOXJJEPBROC-WCQYABFASA-N 1 2 297.362 1.669 20 30 CDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC2(F)F)CC1 ZINC001004437106 921844673 /nfs/dbraw/zinc/84/46/73/921844673.db2.gz RPVHWNBVMICNLT-OLZOCXBDSA-N 1 2 297.349 1.868 20 30 CDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC2(F)F)CC1 ZINC001004437106 921844687 /nfs/dbraw/zinc/84/46/87/921844687.db2.gz RPVHWNBVMICNLT-OLZOCXBDSA-N 1 2 297.349 1.868 20 30 CDEDLO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190268921 921946822 /nfs/dbraw/zinc/94/68/22/921946822.db2.gz GFMIBXNMKFUARY-NXEZZACHSA-N 1 2 280.265 1.443 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190268921 921946836 /nfs/dbraw/zinc/94/68/36/921946836.db2.gz GFMIBXNMKFUARY-NXEZZACHSA-N 1 2 280.265 1.443 20 30 CDEDLO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001190268921 921946852 /nfs/dbraw/zinc/94/68/52/921946852.db2.gz GFMIBXNMKFUARY-NXEZZACHSA-N 1 2 280.265 1.443 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001190268921 921946864 /nfs/dbraw/zinc/94/68/64/921946864.db2.gz GFMIBXNMKFUARY-NXEZZACHSA-N 1 2 280.265 1.443 20 30 CDEDLO CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCN(CC#N)C1 ZINC001033192267 922035007 /nfs/dbraw/zinc/03/50/07/922035007.db2.gz PJPLEMGDRJTNHC-LBPRGKRZSA-N 1 2 283.335 1.233 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000835287226 936727974 /nfs/dbraw/zinc/72/79/74/936727974.db2.gz 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C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3(C)CC3)C[C@@H]21 ZINC001074252666 936735360 /nfs/dbraw/zinc/73/53/60/936735360.db2.gz POPBPNMYEKCHKO-UONOGXRCSA-N 1 2 278.396 1.664 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cn2ccc(C)n2)C1 ZINC001033436716 922216081 /nfs/dbraw/zinc/21/60/81/922216081.db2.gz AFXDSBOSYJCXSE-ZDUSSCGKSA-N 1 2 296.802 1.477 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2ccc(C)n2)C1 ZINC001033436716 922216086 /nfs/dbraw/zinc/21/60/86/922216086.db2.gz AFXDSBOSYJCXSE-ZDUSSCGKSA-N 1 2 296.802 1.477 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccn(C)n2)C1 ZINC001033656247 922300352 /nfs/dbraw/zinc/30/03/52/922300352.db2.gz OTWUHFFHNJZGQJ-LLVKDONJSA-N 1 2 282.775 1.319 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(C)n2)C1 ZINC001033656247 922300380 /nfs/dbraw/zinc/30/03/80/922300380.db2.gz OTWUHFFHNJZGQJ-LLVKDONJSA-N 1 2 282.775 1.319 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2snnc2C)C1 ZINC001033746663 922347269 /nfs/dbraw/zinc/34/72/69/922347269.db2.gz 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/nfs/dbraw/zinc/77/89/80/936778980.db2.gz GONUFNBGWMTCCM-NSHDSACASA-N 1 2 265.313 1.551 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cnco2)C1 ZINC001140934942 936778981 /nfs/dbraw/zinc/77/89/81/936778981.db2.gz GONUFNBGWMTCCM-NSHDSACASA-N 1 2 265.313 1.551 20 30 CDEDLO C#CCOCCC(=O)NCC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001099515823 936790443 /nfs/dbraw/zinc/79/04/43/936790443.db2.gz KBVSZCBDCGICDB-GFCCVEGCSA-N 1 2 290.367 1.132 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)[nH]c(=O)c2)CC1 ZINC001192232359 922972208 /nfs/dbraw/zinc/97/22/08/922972208.db2.gz ZXBSKVASWWDLNE-UHFFFAOYSA-N 1 2 261.325 1.039 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cccnc2C)C1 ZINC001035490234 922991134 /nfs/dbraw/zinc/99/11/34/922991134.db2.gz XKQAHJYVWNVTIC-CYBMUJFWSA-N 1 2 275.352 1.007 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cccnc2C)C1 ZINC001035490234 922991151 /nfs/dbraw/zinc/99/11/51/922991151.db2.gz XKQAHJYVWNVTIC-CYBMUJFWSA-N 1 2 275.352 1.007 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2c(C)nsc2C)C1 ZINC001035616580 923017810 /nfs/dbraw/zinc/01/78/10/923017810.db2.gz LUOMOCDYWKSWMY-GFCCVEGCSA-N 1 2 295.408 1.377 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2c(C)nsc2C)C1 ZINC001035616580 923017824 /nfs/dbraw/zinc/01/78/24/923017824.db2.gz LUOMOCDYWKSWMY-GFCCVEGCSA-N 1 2 295.408 1.377 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cccn2CC)C1 ZINC001035613899 923018077 /nfs/dbraw/zinc/01/80/77/923018077.db2.gz MFGOBCHHPDYTMN-ZDUSSCGKSA-N 1 2 277.368 1.125 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cccn2CC)C1 ZINC001035613899 923018093 /nfs/dbraw/zinc/01/80/93/923018093.db2.gz MFGOBCHHPDYTMN-ZDUSSCGKSA-N 1 2 277.368 1.125 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C)nc2C)C1 ZINC001035609474 923021136 /nfs/dbraw/zinc/02/11/36/923021136.db2.gz OZFWKZQAUMNWBQ-AWEZNQCLSA-N 1 2 289.379 1.315 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C)nc2C)C1 ZINC001035609474 923021148 /nfs/dbraw/zinc/02/11/48/923021148.db2.gz OZFWKZQAUMNWBQ-AWEZNQCLSA-N 1 2 289.379 1.315 20 30 CDEDLO CN1CC[C@]2(CCC[N@@H+]2Cc2cccc(C#N)c2F)C1=O ZINC001273640814 923130800 /nfs/dbraw/zinc/13/08/00/923130800.db2.gz AVCGSXIOTUHZEU-MRXNPFEDSA-N 1 2 287.338 1.894 20 30 CDEDLO CN1CC[C@]2(CCC[N@H+]2Cc2cccc(C#N)c2F)C1=O ZINC001273640814 923130809 /nfs/dbraw/zinc/13/08/09/923130809.db2.gz AVCGSXIOTUHZEU-MRXNPFEDSA-N 1 2 287.338 1.894 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)[C@H](O)C1 ZINC001099826884 936812512 /nfs/dbraw/zinc/81/25/12/936812512.db2.gz ROBDFFBAIOONDH-CHWSQXEVSA-N 1 2 298.814 1.340 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)[C@H](O)C1 ZINC001099826884 936812515 /nfs/dbraw/zinc/81/25/15/936812515.db2.gz ROBDFFBAIOONDH-CHWSQXEVSA-N 1 2 298.814 1.340 20 30 CDEDLO N#Cc1ccc(C(=O)NCCOc2cc[nH+]cc2)o1 ZINC001192691609 923196383 /nfs/dbraw/zinc/19/63/83/923196383.db2.gz UTQAUNHRMCOCNF-UHFFFAOYSA-N 1 2 257.249 1.355 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NCC1(C#N)CCC1 ZINC000922921715 923368957 /nfs/dbraw/zinc/36/89/57/923368957.db2.gz IYNFBFZNBZJKRV-CYBMUJFWSA-N 1 2 294.399 1.090 20 30 CDEDLO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)C(F)(F)F ZINC001114308398 924154306 /nfs/dbraw/zinc/15/43/06/924154306.db2.gz GHGAWEATENICAX-KDXUFGMBSA-N 1 2 266.238 1.119 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)C(F)(F)F ZINC001114308398 924154311 /nfs/dbraw/zinc/15/43/11/924154311.db2.gz GHGAWEATENICAX-KDXUFGMBSA-N 1 2 266.238 1.119 20 30 CDEDLO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C(F)(F)F ZINC001114308398 924154314 /nfs/dbraw/zinc/15/43/14/924154314.db2.gz GHGAWEATENICAX-KDXUFGMBSA-N 1 2 266.238 1.119 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C(F)(F)F ZINC001114308398 924154319 /nfs/dbraw/zinc/15/43/19/924154319.db2.gz GHGAWEATENICAX-KDXUFGMBSA-N 1 2 266.238 1.119 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc3c(n2)CCC3)CC1 ZINC000839127996 936905456 /nfs/dbraw/zinc/90/54/56/936905456.db2.gz BCIFPICZWIMZFK-UHFFFAOYSA-N 1 2 299.374 1.849 20 30 CDEDLO C[N@@H+](Cc1cc(C#N)ccc1Br)C[C@H](O)CO ZINC001141655819 936916536 /nfs/dbraw/zinc/91/65/36/936916536.db2.gz KZERDOYYEZBFAJ-NSHDSACASA-N 1 2 299.168 1.106 20 30 CDEDLO C[N@H+](Cc1cc(C#N)ccc1Br)C[C@H](O)CO ZINC001141655819 936916537 /nfs/dbraw/zinc/91/65/37/936916537.db2.gz KZERDOYYEZBFAJ-NSHDSACASA-N 1 2 299.168 1.106 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001079867726 924440978 /nfs/dbraw/zinc/44/09/78/924440978.db2.gz MXBSZSIEBMCZLU-MWLCHTKSSA-N 1 2 294.786 1.309 20 30 CDEDLO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001079867726 924440982 /nfs/dbraw/zinc/44/09/82/924440982.db2.gz MXBSZSIEBMCZLU-MWLCHTKSSA-N 1 2 294.786 1.309 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1O ZINC001195312135 924542765 /nfs/dbraw/zinc/54/27/65/924542765.db2.gz HEJFOMWBUUMWPQ-VXGBXAGGSA-N 1 2 295.408 1.017 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1O ZINC001195312135 924542773 /nfs/dbraw/zinc/54/27/73/924542773.db2.gz HEJFOMWBUUMWPQ-VXGBXAGGSA-N 1 2 295.408 1.017 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2occc2Cl)[C@H](OC)C1 ZINC001082101227 924857817 /nfs/dbraw/zinc/85/78/17/924857817.db2.gz LPJQAFHVDGQYTP-VXGBXAGGSA-N 1 2 296.754 1.385 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2occc2Cl)[C@H](OC)C1 ZINC001082101227 924857822 /nfs/dbraw/zinc/85/78/22/924857822.db2.gz LPJQAFHVDGQYTP-VXGBXAGGSA-N 1 2 296.754 1.385 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)c2ccccc2)[C@H](OC)C1 ZINC001082183740 924877925 /nfs/dbraw/zinc/87/79/25/924877925.db2.gz PBYPCADBYALLGQ-KFWWJZLASA-N 1 2 290.338 1.146 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](F)c2ccccc2)[C@H](OC)C1 ZINC001082183740 924877933 /nfs/dbraw/zinc/87/79/33/924877933.db2.gz PBYPCADBYALLGQ-KFWWJZLASA-N 1 2 290.338 1.146 20 30 CDEDLO Cc1nc2ccccc2c(N2CC[NH2+]C[C@H]2C#N)n1 ZINC001164641466 924960614 /nfs/dbraw/zinc/96/06/14/924960614.db2.gz LQXYAEPAGLWYOY-LLVKDONJSA-N 1 2 253.309 1.240 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C3CC4(CCC4)C3)[C@H]2C1 ZINC001083169313 925109734 /nfs/dbraw/zinc/10/97/34/925109734.db2.gz MUIGMOXMKFQHSF-LSDHHAIUSA-N 1 2 288.391 1.112 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CC4(CCC4)C3)[C@H]2C1 ZINC001083169313 925109740 /nfs/dbraw/zinc/10/97/40/925109740.db2.gz MUIGMOXMKFQHSF-LSDHHAIUSA-N 1 2 288.391 1.112 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ncc[nH]3)[C@@H]2C1 ZINC001084741045 925395518 /nfs/dbraw/zinc/39/55/18/925395518.db2.gz LMABBXMYUVKHFO-VXGBXAGGSA-N 1 2 294.786 1.237 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ncc[nH]3)[C@@H]2C1 ZINC001084741045 925395528 /nfs/dbraw/zinc/39/55/28/925395528.db2.gz LMABBXMYUVKHFO-VXGBXAGGSA-N 1 2 294.786 1.237 20 30 CDEDLO C#CCCCC(=O)N[C@H]1CC2(C[NH+](CC=C)C2)n2ccnc21 ZINC001101626082 936995380 /nfs/dbraw/zinc/99/53/80/936995380.db2.gz VHCDPVWPEBIAJF-AWEZNQCLSA-N 1 2 298.390 1.445 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3OC)[C@@H]2C1 ZINC001084789072 925428040 /nfs/dbraw/zinc/42/80/40/925428040.db2.gz PXNCGRHOJRIEMW-VXGBXAGGSA-N 1 2 290.388 1.536 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3OC)[C@@H]2C1 ZINC001084789072 925428045 /nfs/dbraw/zinc/42/80/45/925428045.db2.gz PXNCGRHOJRIEMW-VXGBXAGGSA-N 1 2 290.388 1.536 20 30 CDEDLO C[C@H](C(=O)N[C@@H](C#N)C1CCCC1)[NH+]1CCSCC1 ZINC001119667271 925465271 /nfs/dbraw/zinc/46/52/71/925465271.db2.gz KUJJSRCMUPCZSW-YPMHNXCESA-N 1 2 281.425 1.622 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccn(C(C)C)c(=O)c2)CC1 ZINC001199489013 925736220 /nfs/dbraw/zinc/73/62/20/925736220.db2.gz QVLQYFOIBYSEBC-UHFFFAOYSA-N 1 2 289.379 1.373 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(C(C)C)CC2)C1 ZINC001108203101 925791617 /nfs/dbraw/zinc/79/16/17/925791617.db2.gz VJYUMXDCURVWOD-INIZCTEOSA-N 1 2 292.423 1.653 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(C(C)C)CC2)C1 ZINC001108203101 925791620 /nfs/dbraw/zinc/79/16/20/925791620.db2.gz VJYUMXDCURVWOD-INIZCTEOSA-N 1 2 292.423 1.653 20 30 CDEDLO Cc1nnc(CO[NH+]=C(N)c2ccc(F)c(C)c2)o1 ZINC000842023097 937028596 /nfs/dbraw/zinc/02/85/96/937028596.db2.gz SXRYQAJMAMJPBH-UHFFFAOYSA-N 1 2 264.260 1.663 20 30 CDEDLO CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001085445326 925973503 /nfs/dbraw/zinc/97/35/03/925973503.db2.gz CJNIMMNYWZKULG-CQSZACIVSA-N 1 2 275.327 1.750 20 30 CDEDLO CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001085445326 925973515 /nfs/dbraw/zinc/97/35/15/925973515.db2.gz CJNIMMNYWZKULG-CQSZACIVSA-N 1 2 275.327 1.750 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cscn1 ZINC001085515912 926103586 /nfs/dbraw/zinc/10/35/86/926103586.db2.gz JEDZWNGOHRCPPV-LLVKDONJSA-N 1 2 263.366 1.313 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cscn1 ZINC001085515912 926103592 /nfs/dbraw/zinc/10/35/92/926103592.db2.gz JEDZWNGOHRCPPV-LLVKDONJSA-N 1 2 263.366 1.313 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)sn1 ZINC001085567045 926162493 /nfs/dbraw/zinc/16/24/93/926162493.db2.gz XOOYAIIGPPLIHC-NSHDSACASA-N 1 2 263.366 1.231 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)sn1 ZINC001085567045 926162498 /nfs/dbraw/zinc/16/24/98/926162498.db2.gz XOOYAIIGPPLIHC-NSHDSACASA-N 1 2 263.366 1.231 20 30 CDEDLO CCN(CCO)N=C1CCN(c2cccc[nH+]2)CC1 ZINC000842534550 937060738 /nfs/dbraw/zinc/06/07/38/937060738.db2.gz RPKWGHBLVKXYFJ-UHFFFAOYSA-N 1 2 262.357 1.352 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(CC)n1 ZINC001085644429 926242464 /nfs/dbraw/zinc/24/24/64/926242464.db2.gz NEAXZDDYQQLWPA-AWEZNQCLSA-N 1 2 271.364 1.424 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(CC)n1 ZINC001085644429 926242472 /nfs/dbraw/zinc/24/24/72/926242472.db2.gz NEAXZDDYQQLWPA-AWEZNQCLSA-N 1 2 271.364 1.424 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(Cl)n[nH]c1CC ZINC001085638455 926249410 /nfs/dbraw/zinc/24/94/10/926249410.db2.gz RPYRLSOLSYRDDX-JTQLQIEISA-N 1 2 294.786 1.405 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(Cl)n[nH]c1CC ZINC001085638455 926249414 /nfs/dbraw/zinc/24/94/14/926249414.db2.gz RPYRLSOLSYRDDX-JTQLQIEISA-N 1 2 294.786 1.405 20 30 CDEDLO N#Cc1nc(Cl)c(Nc2ccc(N)[nH+]c2)nc1C#N ZINC001201278838 926254958 /nfs/dbraw/zinc/25/49/58/926254958.db2.gz HLUANZIRWJIRCI-UHFFFAOYSA-N 1 2 271.671 1.594 20 30 CDEDLO CN(C)c1cc[nH+]cc1C=NNc1cn[nH]c(=O)c1Cl ZINC000776185030 926307501 /nfs/dbraw/zinc/30/75/01/926307501.db2.gz DCLYSEFDTRUFAT-UHFFFAOYSA-N 1 2 292.730 1.743 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nc(C)c(C)nc1C ZINC001085712150 926311907 /nfs/dbraw/zinc/31/19/07/926311907.db2.gz BWDCKUYSUXZHJD-CQSZACIVSA-N 1 2 286.379 1.181 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nc(C)c(C)nc1C ZINC001085712150 926311912 /nfs/dbraw/zinc/31/19/12/926311912.db2.gz BWDCKUYSUXZHJD-CQSZACIVSA-N 1 2 286.379 1.181 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1occ2c1CCOC2 ZINC001085743326 926339400 /nfs/dbraw/zinc/33/94/00/926339400.db2.gz LIDIHMIHLUCMID-ZDUSSCGKSA-N 1 2 288.347 1.132 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1occ2c1CCOC2 ZINC001085743326 926339408 /nfs/dbraw/zinc/33/94/08/926339408.db2.gz LIDIHMIHLUCMID-ZDUSSCGKSA-N 1 2 288.347 1.132 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)c2ccco2)C1 ZINC001108209108 926397439 /nfs/dbraw/zinc/39/74/39/926397439.db2.gz IXSBMMGGPIHMOM-BBRMVZONSA-N 1 2 292.379 1.776 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)c2ccco2)C1 ZINC001108209108 926397447 /nfs/dbraw/zinc/39/74/47/926397447.db2.gz IXSBMMGGPIHMOM-BBRMVZONSA-N 1 2 292.379 1.776 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn(CC(C)C)c1 ZINC001085894990 926484363 /nfs/dbraw/zinc/48/43/63/926484363.db2.gz QMVGLKSTIOUJRU-HNNXBMFYSA-N 1 2 288.395 1.319 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(CC(C)C)c1 ZINC001085894990 926484368 /nfs/dbraw/zinc/48/43/68/926484368.db2.gz QMVGLKSTIOUJRU-HNNXBMFYSA-N 1 2 288.395 1.319 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(CC)on1 ZINC001085933356 926518760 /nfs/dbraw/zinc/51/87/60/926518760.db2.gz XEZJBZJGFCPFQM-LLVKDONJSA-N 1 2 261.325 1.017 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(CC)on1 ZINC001085933356 926518764 /nfs/dbraw/zinc/51/87/64/926518764.db2.gz XEZJBZJGFCPFQM-LLVKDONJSA-N 1 2 261.325 1.017 20 30 CDEDLO Cc1nc(N2CCCC[C@@H](NC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001102861694 937093562 /nfs/dbraw/zinc/09/35/62/937093562.db2.gz OSNUABXGDGSRPG-OAHLLOKOSA-N 1 2 298.390 1.674 20 30 CDEDLO C[C@@H]1C(=O)NCC[N@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142928694 937095340 /nfs/dbraw/zinc/09/53/40/937095340.db2.gz HRMQUBWIGVKYHG-SNVBAGLBSA-N 1 2 268.320 1.360 20 30 CDEDLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142928694 937095344 /nfs/dbraw/zinc/09/53/44/937095344.db2.gz HRMQUBWIGVKYHG-SNVBAGLBSA-N 1 2 268.320 1.360 20 30 CDEDLO COCC[N@H+](CCNC(C)=O)Cc1cc(C#N)ccc1F ZINC001411217861 927255307 /nfs/dbraw/zinc/25/53/07/927255307.db2.gz QYVWEMYBMMRWJW-UHFFFAOYSA-N 1 2 293.342 1.282 20 30 CDEDLO COCC[N@@H+](CCNC(C)=O)Cc1cc(C#N)ccc1F ZINC001411217861 927255317 /nfs/dbraw/zinc/25/53/17/927255317.db2.gz QYVWEMYBMMRWJW-UHFFFAOYSA-N 1 2 293.342 1.282 20 30 CDEDLO Cc1nc(NC[C@@H](C)CNC(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001103898542 937171237 /nfs/dbraw/zinc/17/12/37/937171237.db2.gz OKUKSWAESAKHOU-ZJUUUORDSA-N 1 2 261.329 1.109 20 30 CDEDLO CCOC(=O)c1cnn(C[NH+]2CCC(CC#N)CC2)c1 ZINC000781572772 937224165 /nfs/dbraw/zinc/22/41/65/937224165.db2.gz VVZOMGZEZSBRCF-UHFFFAOYSA-N 1 2 276.340 1.643 20 30 CDEDLO C=CCOc1ccc(NC[C@@H]2COCC[N@H+]2C)nc1C#N ZINC001169653841 928290210 /nfs/dbraw/zinc/29/02/10/928290210.db2.gz SELSTROVINQKDF-GFCCVEGCSA-N 1 2 288.351 1.261 20 30 CDEDLO C=CCOc1ccc(NC[C@@H]2COCC[N@@H+]2C)nc1C#N ZINC001169653841 928290223 /nfs/dbraw/zinc/29/02/23/928290223.db2.gz SELSTROVINQKDF-GFCCVEGCSA-N 1 2 288.351 1.261 20 30 CDEDLO C[N@@H+]1CCOC[C@H]1CNc1cc(C#N)cc(C#N)c1 ZINC001169656523 928295911 /nfs/dbraw/zinc/29/59/11/928295911.db2.gz MWWDDYZUJPDBIE-CQSZACIVSA-N 1 2 256.309 1.172 20 30 CDEDLO C[N@H+]1CCOC[C@H]1CNc1cc(C#N)cc(C#N)c1 ZINC001169656523 928295922 /nfs/dbraw/zinc/29/59/22/928295922.db2.gz MWWDDYZUJPDBIE-CQSZACIVSA-N 1 2 256.309 1.172 20 30 CDEDLO C[N@@H+]1CCOC[C@@H]1CNc1cc(F)cc(CC#N)c1 ZINC001169659415 928301072 /nfs/dbraw/zinc/30/10/72/928301072.db2.gz FPJDDLBYLPPXKK-AWEZNQCLSA-N 1 2 263.316 1.634 20 30 CDEDLO C[N@H+]1CCOC[C@@H]1CNc1cc(F)cc(CC#N)c1 ZINC001169659415 928301085 /nfs/dbraw/zinc/30/10/85/928301085.db2.gz FPJDDLBYLPPXKK-AWEZNQCLSA-N 1 2 263.316 1.634 20 30 CDEDLO C[N@@H+]1CCOC[C@H]1CNc1cccc(F)c1CC#N ZINC001169659439 928302465 /nfs/dbraw/zinc/30/24/65/928302465.db2.gz GHZAYTZOEXWCTB-LLVKDONJSA-N 1 2 263.316 1.634 20 30 CDEDLO C[N@H+]1CCOC[C@H]1CNc1cccc(F)c1CC#N ZINC001169659439 928302476 /nfs/dbraw/zinc/30/24/76/928302476.db2.gz GHZAYTZOEXWCTB-LLVKDONJSA-N 1 2 263.316 1.634 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]N[C@H]1CCCC1(C)C ZINC000782298866 937246917 /nfs/dbraw/zinc/24/69/17/937246917.db2.gz DBGGIMPLMVKKML-JTQLQIEISA-N 1 2 263.345 1.570 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)OCCCn1cc[nH+]c1 ZINC000783234992 937270165 /nfs/dbraw/zinc/27/01/65/937270165.db2.gz NCPDAAYGOHNNQF-LBPRGKRZSA-N 1 2 252.314 1.798 20 30 CDEDLO C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001109313406 928878665 /nfs/dbraw/zinc/87/86/65/928878665.db2.gz DOCZJZZASWSHSG-RCWTZXSCSA-N 1 2 292.276 1.632 20 30 CDEDLO C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001109313406 928878677 /nfs/dbraw/zinc/87/86/77/928878677.db2.gz DOCZJZZASWSHSG-RCWTZXSCSA-N 1 2 292.276 1.632 20 30 CDEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(C)=O ZINC000860176608 929127455 /nfs/dbraw/zinc/12/74/55/929127455.db2.gz RCPBCXAEWOYOCQ-LLVKDONJSA-N 1 2 275.190 1.886 20 30 CDEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(C)=O ZINC000860176608 929127457 /nfs/dbraw/zinc/12/74/57/929127457.db2.gz RCPBCXAEWOYOCQ-LLVKDONJSA-N 1 2 275.190 1.886 20 30 CDEDLO C=CCCC(=O)N1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC001112687489 929326574 /nfs/dbraw/zinc/32/65/74/929326574.db2.gz BSYIAWSSEVHBDU-LLVKDONJSA-N 1 2 294.317 1.410 20 30 CDEDLO CC(C)CCOCC[NH+]1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001112718469 929350903 /nfs/dbraw/zinc/35/09/03/929350903.db2.gz LGZNJCUIIWLVPS-CQSZACIVSA-N 1 2 281.400 1.353 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](CC)SC)CC1 ZINC001112768648 929401507 /nfs/dbraw/zinc/40/15/07/929401507.db2.gz HTRZLSLMBMEORJ-CYBMUJFWSA-N 1 2 286.441 1.475 20 30 CDEDLO C#CCC1(C(=O)N2CC[NH+](CC=C)CC2)CCOCC1 ZINC001112947987 929587090 /nfs/dbraw/zinc/58/70/90/929587090.db2.gz UIGWNVMJSPRILC-UHFFFAOYSA-N 1 2 276.380 1.137 20 30 CDEDLO Cn1ncc(C=[NH+]Nc2cccc([N+](=O)[O-])c2)c1N ZINC000814694748 929796051 /nfs/dbraw/zinc/79/60/51/929796051.db2.gz XAJMWGNHANECBG-UHFFFAOYSA-N 1 2 260.257 1.357 20 30 CDEDLO C=CC(C)(C)CC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000881439322 929846741 /nfs/dbraw/zinc/84/67/41/929846741.db2.gz MRAFAJMVDJLBPM-UHFFFAOYSA-N 1 2 293.455 1.827 20 30 CDEDLO CC(N=Nc1ncncc1Cl)c1ccc(N)[nH+]c1 ZINC000814909001 929885150 /nfs/dbraw/zinc/88/51/50/929885150.db2.gz GKZLJHQFZAXZGQ-UHFFFAOYSA-N 1 2 262.704 1.943 20 30 CDEDLO C=CCC(F)(F)C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000816196163 930203018 /nfs/dbraw/zinc/20/30/18/930203018.db2.gz SOWZYRMVBBZMPQ-QWRGUYRKSA-N 1 2 276.327 1.111 20 30 CDEDLO C=CCC(F)(F)C(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000816196163 930203028 /nfs/dbraw/zinc/20/30/28/930203028.db2.gz SOWZYRMVBBZMPQ-QWRGUYRKSA-N 1 2 276.327 1.111 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000884057665 930418704 /nfs/dbraw/zinc/41/87/04/930418704.db2.gz NPMZXUMCIOUQOD-OCCSQVGLSA-N 1 2 290.363 1.653 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2ccc(F)cc21 ZINC000884113540 930447520 /nfs/dbraw/zinc/44/75/20/930447520.db2.gz TZEYNFWMNYXORJ-LBPRGKRZSA-N 1 2 292.310 1.161 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000884136495 930454731 /nfs/dbraw/zinc/45/47/31/930454731.db2.gz OCBFQYUBFFSTAR-MQYQWHSLSA-N 1 2 294.395 1.613 20 30 CDEDLO C#CC[C@@H]1CCN(c2cc(NC[C@H](C)O)[nH+]cn2)C1 ZINC000884594203 930603539 /nfs/dbraw/zinc/60/35/39/930603539.db2.gz BWMBCANLHISJPR-NWDGAFQWSA-N 1 2 260.341 1.119 20 30 CDEDLO C#CC[C@@H]1CCN(c2cc(NC[C@H](C)O)nc[nH+]2)C1 ZINC000884594203 930603546 /nfs/dbraw/zinc/60/35/46/930603546.db2.gz BWMBCANLHISJPR-NWDGAFQWSA-N 1 2 260.341 1.119 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CC(CC)CC)C1 ZINC000885511915 930732131 /nfs/dbraw/zinc/73/21/31/930732131.db2.gz OTNHQGQCNRDPDF-AWEZNQCLSA-N 1 2 286.441 1.440 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CC(CC)CC)C1 ZINC000885511915 930732136 /nfs/dbraw/zinc/73/21/36/930732136.db2.gz OTNHQGQCNRDPDF-AWEZNQCLSA-N 1 2 286.441 1.440 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC001116401513 937446431 /nfs/dbraw/zinc/44/64/31/937446431.db2.gz IQRRONLNQSHPJK-UHFFFAOYSA-N 1 2 285.347 1.015 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC001116401513 937446433 /nfs/dbraw/zinc/44/64/33/937446433.db2.gz IQRRONLNQSHPJK-UHFFFAOYSA-N 1 2 285.347 1.015 20 30 CDEDLO COc1cc(C)ccc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000819417935 930805330 /nfs/dbraw/zinc/80/53/30/930805330.db2.gz PFURAPAXNWBHJQ-ZDUSSCGKSA-N 1 2 277.368 1.622 20 30 CDEDLO COc1cc(C)ccc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000819417935 930805333 /nfs/dbraw/zinc/80/53/33/930805333.db2.gz PFURAPAXNWBHJQ-ZDUSSCGKSA-N 1 2 277.368 1.622 20 30 CDEDLO N#CCOc1ccc(C[N@@H+]2CCCn3nncc3C2)cc1 ZINC000886455643 930884040 /nfs/dbraw/zinc/88/40/40/930884040.db2.gz WGFQLIOSWLDUNU-UHFFFAOYSA-N 1 2 283.335 1.586 20 30 CDEDLO N#CCOc1ccc(C[N@H+]2CCCn3nncc3C2)cc1 ZINC000886455643 930884043 /nfs/dbraw/zinc/88/40/43/930884043.db2.gz WGFQLIOSWLDUNU-UHFFFAOYSA-N 1 2 283.335 1.586 20 30 CDEDLO C#C[C@H](NC(=O)N1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000820591193 930932607 /nfs/dbraw/zinc/93/26/07/930932607.db2.gz OSYVXPPIHXVWSJ-HNNXBMFYSA-N 1 2 280.331 1.783 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2cnn(CC)n2)CC1 ZINC000886778872 930959941 /nfs/dbraw/zinc/95/99/41/930959941.db2.gz YWKRKWKGBPYKEP-UHFFFAOYSA-N 1 2 250.346 1.201 20 30 CDEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1nc(C)cc(C)n1 ZINC001274015774 931115764 /nfs/dbraw/zinc/11/57/64/931115764.db2.gz BZWCYJQMRPRTBB-HUUCEWRRSA-N 1 2 298.390 1.292 20 30 CDEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1nc(C)cc(C)n1 ZINC001274015774 931115770 /nfs/dbraw/zinc/11/57/70/931115770.db2.gz BZWCYJQMRPRTBB-HUUCEWRRSA-N 1 2 298.390 1.292 20 30 CDEDLO C#CCSCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000889684547 931356991 /nfs/dbraw/zinc/35/69/91/931356991.db2.gz RTRADBSKAJBJMI-GFCCVEGCSA-N 1 2 275.377 1.143 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001144075818 931648516 /nfs/dbraw/zinc/64/85/16/931648516.db2.gz XPGIOZUAGOGJRP-GFCCVEGCSA-N 1 2 293.367 1.223 20 30 CDEDLO C=C(C)CONC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000845601809 931867918 /nfs/dbraw/zinc/86/79/18/931867918.db2.gz OXHBBGXVMVTKNZ-OLZOCXBDSA-N 1 2 278.356 1.983 20 30 CDEDLO NC(=O)c1ccc(C(=[NH2+])Nc2cc(N)ccc2F)cc1 ZINC001171258469 932170414 /nfs/dbraw/zinc/17/04/14/932170414.db2.gz AIMUSDVZELWFIQ-UHFFFAOYSA-N 1 2 272.283 1.544 20 30 CDEDLO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)N(c1cc(CC#N)cc[nH+]1)C2 ZINC001154711004 937578493 /nfs/dbraw/zinc/57/84/93/937578493.db2.gz YSAQDSWZHYNHRA-MJBXVCDLSA-N 1 2 285.347 1.926 20 30 CDEDLO CN1C[C@@H]2C[N@@H+](Cc3ccccc3CC#N)C[C@H](C1)O2 ZINC001276243017 932677432 /nfs/dbraw/zinc/67/74/32/932677432.db2.gz VABATLQHXLHVKM-IYBDPMFKSA-N 1 2 271.364 1.267 20 30 CDEDLO CN1C[C@@H]2C[N@H+](Cc3ccccc3CC#N)C[C@H](C1)O2 ZINC001276243017 932677436 /nfs/dbraw/zinc/67/74/36/932677436.db2.gz VABATLQHXLHVKM-IYBDPMFKSA-N 1 2 271.364 1.267 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc3cc(O)cnc32)CC1 ZINC001155103179 937635590 /nfs/dbraw/zinc/63/55/90/937635590.db2.gz NNRJWNRZZORRBW-UHFFFAOYSA-N 1 2 297.358 1.884 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171365368 932876500 /nfs/dbraw/zinc/87/65/00/932876500.db2.gz IRHDXRDRBRKKSP-QWHCGFSZSA-N 1 2 277.318 1.619 20 30 CDEDLO C#CC1CCN(C(=O)N[C@H](CC)C[NH+]2CCOCC2)CC1 ZINC000925610233 932914546 /nfs/dbraw/zinc/91/45/46/932914546.db2.gz FHQSAQFZTPESMQ-OAHLLOKOSA-N 1 2 293.411 1.152 20 30 CDEDLO CC[C@H](C(=O)N1CCC[C@@H](C#N)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000928218569 933127751 /nfs/dbraw/zinc/12/77/51/933127751.db2.gz WOGGGCMMBFRRRM-RRFJBIMHSA-N 1 2 293.411 1.638 20 30 CDEDLO CC[C@H](C(=O)N1CCC[C@@H](C#N)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000928218569 933127752 /nfs/dbraw/zinc/12/77/52/933127752.db2.gz WOGGGCMMBFRRRM-RRFJBIMHSA-N 1 2 293.411 1.638 20 30 CDEDLO C#CCCCCC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928643404 933169118 /nfs/dbraw/zinc/16/91/18/933169118.db2.gz KQGCZPUTNPKLMC-CQSZACIVSA-N 1 2 266.385 1.407 20 30 CDEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000932153635 933672964 /nfs/dbraw/zinc/67/29/64/933672964.db2.gz AMDIIIKSHQFDCN-HOTGVXAUSA-N 1 2 299.374 1.728 20 30 CDEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000932153635 933672969 /nfs/dbraw/zinc/67/29/69/933672969.db2.gz AMDIIIKSHQFDCN-HOTGVXAUSA-N 1 2 299.374 1.728 20 30 CDEDLO C=CCN(CC(=O)OCC)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935094619 934025725 /nfs/dbraw/zinc/02/57/25/934025725.db2.gz LFHSURGXPPIJAM-UHFFFAOYSA-N 1 2 287.319 1.754 20 30 CDEDLO C#CCO[C@H](C)C(=O)N(C)C[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001120093270 937780560 /nfs/dbraw/zinc/78/05/60/937780560.db2.gz JNICBWZRXNHDQN-VXGBXAGGSA-N 1 2 290.367 1.082 20 30 CDEDLO C#CCCON=C(N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000779644252 934655420 /nfs/dbraw/zinc/65/54/20/934655420.db2.gz APITUOLHZUQESN-HNNXBMFYSA-N 1 2 287.363 1.409 20 30 CDEDLO C#CCCON=C(N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000779644252 934655422 /nfs/dbraw/zinc/65/54/22/934655422.db2.gz APITUOLHZUQESN-HNNXBMFYSA-N 1 2 287.363 1.409 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1nccn1C ZINC000960494143 935171963 /nfs/dbraw/zinc/17/19/63/935171963.db2.gz MVUFPTAPLJQDII-OLZOCXBDSA-N 1 2 289.383 1.003 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nccn1C ZINC000960494143 935171966 /nfs/dbraw/zinc/17/19/66/935171966.db2.gz MVUFPTAPLJQDII-OLZOCXBDSA-N 1 2 289.383 1.003 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)C2CC2)cc1F ZINC001037981870 935324040 /nfs/dbraw/zinc/32/40/40/935324040.db2.gz WULASDCRBAMRFU-AWEZNQCLSA-N 1 2 287.338 1.798 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)C2CC2)cc1F ZINC001037981870 935324046 /nfs/dbraw/zinc/32/40/46/935324046.db2.gz WULASDCRBAMRFU-AWEZNQCLSA-N 1 2 287.338 1.798 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C)n2C)C1 ZINC001010169394 935446279 /nfs/dbraw/zinc/44/62/79/935446279.db2.gz PGSDITITBYTNFG-GFCCVEGCSA-N 1 2 281.787 1.890 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)n2C)C1 ZINC001010169394 935446282 /nfs/dbraw/zinc/44/62/82/935446282.db2.gz PGSDITITBYTNFG-GFCCVEGCSA-N 1 2 281.787 1.890 20 30 CDEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ncc[nH]1 ZINC001014378562 935534719 /nfs/dbraw/zinc/53/47/19/935534719.db2.gz GIDZBEGTFVLTNA-OAHLLOKOSA-N 1 2 294.358 1.266 20 30 CDEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ncc[nH]1 ZINC001014378562 935534723 /nfs/dbraw/zinc/53/47/23/935534723.db2.gz GIDZBEGTFVLTNA-OAHLLOKOSA-N 1 2 294.358 1.266 20 30 CDEDLO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3cn[nH]c32)C1 ZINC001014440272 935536289 /nfs/dbraw/zinc/53/62/89/935536289.db2.gz WJUFSEKYQJSBRZ-UONOGXRCSA-N 1 2 286.379 1.043 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1C=CC=CC=C1 ZINC001017590946 935643385 /nfs/dbraw/zinc/64/33/85/935643385.db2.gz MBCKNAFYZNEFNL-CALCHBBNSA-N 1 2 282.387 1.983 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1C=CC=CC=C1 ZINC001017590946 935643387 /nfs/dbraw/zinc/64/33/87/935643387.db2.gz MBCKNAFYZNEFNL-CALCHBBNSA-N 1 2 282.387 1.983 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1OC ZINC001018211317 935663480 /nfs/dbraw/zinc/66/34/80/935663480.db2.gz AHZFMGADYVTTQN-OKILXGFUSA-N 1 2 299.374 1.402 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1OC ZINC001018211317 935663482 /nfs/dbraw/zinc/66/34/82/935663482.db2.gz AHZFMGADYVTTQN-OKILXGFUSA-N 1 2 299.374 1.402 20 30 CDEDLO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC001019422134 935703779 /nfs/dbraw/zinc/70/37/79/935703779.db2.gz VVVNHQPWQLKWEI-NSHDSACASA-N 1 2 294.786 1.844 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C/C=C/Cl ZINC001038267637 935738335 /nfs/dbraw/zinc/73/83/35/935738335.db2.gz WYSXYXBPGXJNEB-JGUMUOKQSA-N 1 2 298.814 1.911 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C/C=C/Cl ZINC001038267637 935738337 /nfs/dbraw/zinc/73/83/37/935738337.db2.gz WYSXYXBPGXJNEB-JGUMUOKQSA-N 1 2 298.814 1.911 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnn1CC(C)C ZINC001038314440 935741178 /nfs/dbraw/zinc/74/11/78/935741178.db2.gz IRRGYKPAESEAMC-AWEZNQCLSA-N 1 2 288.395 1.367 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnn1CC(C)C ZINC001038314440 935741179 /nfs/dbraw/zinc/74/11/79/935741179.db2.gz IRRGYKPAESEAMC-AWEZNQCLSA-N 1 2 288.395 1.367 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnn1C(CC)CC ZINC001038346102 935742699 /nfs/dbraw/zinc/74/26/99/935742699.db2.gz ONLCAOWRDDGBKJ-CQSZACIVSA-N 1 2 288.395 1.682 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnn1C(CC)CC ZINC001038346102 935742700 /nfs/dbraw/zinc/74/27/00/935742700.db2.gz ONLCAOWRDDGBKJ-CQSZACIVSA-N 1 2 288.395 1.682 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccnc1N1CCCC1 ZINC001038473918 935746480 /nfs/dbraw/zinc/74/64/80/935746480.db2.gz RGAHJJMJPRVOEI-AWEZNQCLSA-N 1 2 298.390 1.119 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccnc1N1CCCC1 ZINC001038473918 935746481 /nfs/dbraw/zinc/74/64/81/935746481.db2.gz RGAHJJMJPRVOEI-AWEZNQCLSA-N 1 2 298.390 1.119 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1sccc1-n1cccc1 ZINC001038567761 935749016 /nfs/dbraw/zinc/74/90/16/935749016.db2.gz PMMRJUGTWXFVKA-ZDUSSCGKSA-N 1 2 299.399 1.976 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1sccc1-n1cccc1 ZINC001038567761 935749018 /nfs/dbraw/zinc/74/90/18/935749018.db2.gz PMMRJUGTWXFVKA-ZDUSSCGKSA-N 1 2 299.399 1.976 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)ccc1OC ZINC001038569569 935749396 /nfs/dbraw/zinc/74/93/96/935749396.db2.gz CUIVRHUKFOBVAM-CYBMUJFWSA-N 1 2 290.338 1.662 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)ccc1OC ZINC001038569569 935749398 /nfs/dbraw/zinc/74/93/98/935749398.db2.gz CUIVRHUKFOBVAM-CYBMUJFWSA-N 1 2 290.338 1.662 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1noc2c1C[C@H](C)CC2 ZINC001038867402 935760401 /nfs/dbraw/zinc/76/04/01/935760401.db2.gz AKARWBYLVFVSHA-NEPJUHHUSA-N 1 2 289.379 1.790 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1noc2c1C[C@H](C)CC2 ZINC001038867402 935760402 /nfs/dbraw/zinc/76/04/02/935760402.db2.gz AKARWBYLVFVSHA-NEPJUHHUSA-N 1 2 289.379 1.790 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc(C(F)(F)F)c1 ZINC001038879608 935760894 /nfs/dbraw/zinc/76/08/94/935760894.db2.gz PUWSKPBXHPYHSN-NSHDSACASA-N 1 2 297.280 1.538 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc(C(F)(F)F)c1 ZINC001038879608 935760897 /nfs/dbraw/zinc/76/08/97/935760897.db2.gz PUWSKPBXHPYHSN-NSHDSACASA-N 1 2 297.280 1.538 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)c(CC)o1 ZINC001038918488 935762374 /nfs/dbraw/zinc/76/23/74/935762374.db2.gz KOIDWUSMBUAGHA-ZDUSSCGKSA-N 1 2 274.364 1.978 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)c(CC)o1 ZINC001038918488 935762376 /nfs/dbraw/zinc/76/23/76/935762376.db2.gz KOIDWUSMBUAGHA-ZDUSSCGKSA-N 1 2 274.364 1.978 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(F)cc1C ZINC001038948423 935763243 /nfs/dbraw/zinc/76/32/43/935763243.db2.gz RPLDVIWBSCCVJP-CQSZACIVSA-N 1 2 274.339 1.962 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(F)cc1C ZINC001038948423 935763244 /nfs/dbraw/zinc/76/32/44/935763244.db2.gz RPLDVIWBSCCVJP-CQSZACIVSA-N 1 2 274.339 1.962 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc3cccnn32)C1 ZINC001044016836 935849349 /nfs/dbraw/zinc/84/93/49/935849349.db2.gz APPJJUWUEWHBJT-UHFFFAOYSA-N 1 2 284.363 1.667 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(F)cc(F)c2)C1 ZINC001044268245 935855727 /nfs/dbraw/zinc/85/57/27/935855727.db2.gz RRZVUZKDNRLBEG-UHFFFAOYSA-N 1 2 278.302 1.744 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001046118716 935927617 /nfs/dbraw/zinc/92/76/17/935927617.db2.gz NAPNCWGFCSYEHU-CQSZACIVSA-N 1 2 295.770 1.267 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001046118716 935927619 /nfs/dbraw/zinc/92/76/19/935927619.db2.gz NAPNCWGFCSYEHU-CQSZACIVSA-N 1 2 295.770 1.267 20 30 CDEDLO CC(C)OC[C@H]1C[N@H+](CCO[C@@H](C)C#N)CCO1 ZINC000801942853 936017534 /nfs/dbraw/zinc/01/75/34/936017534.db2.gz WRRFZPOJRWSPAQ-QWHCGFSZSA-N 1 2 256.346 1.041 20 30 CDEDLO CC(C)OC[C@H]1C[N@@H+](CCO[C@@H](C)C#N)CCO1 ZINC000801942853 936017537 /nfs/dbraw/zinc/01/75/37/936017537.db2.gz WRRFZPOJRWSPAQ-QWHCGFSZSA-N 1 2 256.346 1.041 20 30 CDEDLO C=CCC[N@@H+]1C[C@H]2CN(C(=O)C(F)C(F)(F)F)C[C@H]2C1 ZINC001048833719 936082245 /nfs/dbraw/zinc/08/22/45/936082245.db2.gz SPESSPNYDONAPW-OUAUKWLOSA-N 1 2 294.292 1.853 20 30 CDEDLO C=CCC[N@H+]1C[C@H]2CN(C(=O)C(F)C(F)(F)F)C[C@H]2C1 ZINC001048833719 936082251 /nfs/dbraw/zinc/08/22/51/936082251.db2.gz SPESSPNYDONAPW-OUAUKWLOSA-N 1 2 294.292 1.853 20 30 CDEDLO C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]2C1 ZINC001048833719 936082256 /nfs/dbraw/zinc/08/22/56/936082256.db2.gz SPESSPNYDONAPW-OUAUKWLOSA-N 1 2 294.292 1.853 20 30 CDEDLO C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]2C1 ZINC001048833719 936082261 /nfs/dbraw/zinc/08/22/61/936082261.db2.gz SPESSPNYDONAPW-OUAUKWLOSA-N 1 2 294.292 1.853 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=CCOCC1)C2 ZINC001096991131 936249763 /nfs/dbraw/zinc/24/97/63/936249763.db2.gz KGMDNCGCNMTDMF-MCIONIFRSA-N 1 2 296.798 1.807 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=CCOCC1)C2 ZINC001096991131 936249765 /nfs/dbraw/zinc/24/97/65/936249765.db2.gz KGMDNCGCNMTDMF-MCIONIFRSA-N 1 2 296.798 1.807 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1F)C2 ZINC001097028242 936256857 /nfs/dbraw/zinc/25/68/57/936256857.db2.gz REQCWJMMOYBNCI-JLLWLGSASA-N 1 2 278.352 1.856 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1F)C2 ZINC001097028242 936256861 /nfs/dbraw/zinc/25/68/61/936256861.db2.gz REQCWJMMOYBNCI-JLLWLGSASA-N 1 2 278.352 1.856 20 30 CDEDLO C=C(C)CN(C)c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1C ZINC001121428320 937871134 /nfs/dbraw/zinc/87/11/34/937871134.db2.gz QTCJHVNGQFUIQI-CYBMUJFWSA-N 1 2 293.415 1.609 20 30 CDEDLO C=C(C)CN(C)c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1C ZINC001121428320 937871136 /nfs/dbraw/zinc/87/11/36/937871136.db2.gz QTCJHVNGQFUIQI-CYBMUJFWSA-N 1 2 293.415 1.609 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122378049 937927059 /nfs/dbraw/zinc/92/70/59/937927059.db2.gz FXTJHJKUWVLIMC-QWHCGFSZSA-N 1 2 292.383 1.276 20 30 CDEDLO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[NH2+]C[C@@H]1C#N ZINC001156319676 938351279 /nfs/dbraw/zinc/35/12/79/938351279.db2.gz AFKBJYCKCYVHCR-QMMMGPOBSA-N 1 2 297.696 1.453 20 30 CDEDLO N#CCc1cc[nH+]c(NCc2ccccc2C(N)=O)c1 ZINC001156473312 938371840 /nfs/dbraw/zinc/37/18/40/938371840.db2.gz AJBVUGSFYCZKAK-UHFFFAOYSA-N 1 2 266.304 1.859 20 30 CDEDLO C=C(C)C(=O)OCCNc1ccc(Cn2cncn2)c[nH+]1 ZINC001157308566 938478561 /nfs/dbraw/zinc/47/85/61/938478561.db2.gz TXCPRDBHZZIZGF-UHFFFAOYSA-N 1 2 287.323 1.253 20 30 CDEDLO Cc1cnc(N[C@@H]2CCC[N@@H+](C3COC3)C2)c(/C=N/O)c1 ZINC001157585446 938515689 /nfs/dbraw/zinc/51/56/89/938515689.db2.gz JWWGETROJPQFTD-JYINPYMRSA-N 1 2 290.367 1.473 20 30 CDEDLO Cc1cnc(N[C@@H]2CCC[N@H+](C3COC3)C2)c(/C=N/O)c1 ZINC001157585446 938515690 /nfs/dbraw/zinc/51/56/90/938515690.db2.gz JWWGETROJPQFTD-JYINPYMRSA-N 1 2 290.367 1.473 20 30 CDEDLO CC(C)C#CC(=O)NCCC[NH2+]Cc1noc(C2CC2)n1 ZINC001157643883 938525795 /nfs/dbraw/zinc/52/57/95/938525795.db2.gz HKFIEHWFQAQRJJ-UHFFFAOYSA-N 1 2 290.367 1.202 20 30 CDEDLO C#CCOCCC(=O)NCCC[NH2+]CC(F)(F)C(F)F ZINC001157845737 938554204 /nfs/dbraw/zinc/55/42/04/938554204.db2.gz AOEYGQPVHNTEFW-UHFFFAOYSA-N 1 2 298.280 1.023 20 30 CDEDLO Cc1nc(NC[C@H]2COCC[N@H+]2C)ccc1CC#N ZINC001158710940 938654206 /nfs/dbraw/zinc/65/42/06/938654206.db2.gz NRLMBJJLIIFBKU-ZDUSSCGKSA-N 1 2 260.341 1.199 20 30 CDEDLO Cc1nc(NC[C@H]2COCC[N@@H+]2C)ccc1CC#N ZINC001158710940 938654207 /nfs/dbraw/zinc/65/42/07/938654207.db2.gz NRLMBJJLIIFBKU-ZDUSSCGKSA-N 1 2 260.341 1.199 20 30 CDEDLO Cc1nnc(Cl)cc1NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001160077226 938767626 /nfs/dbraw/zinc/76/76/26/938767626.db2.gz HYIZWCMHTJYEJF-UHFFFAOYSA-N 1 2 289.726 1.574 20 30 CDEDLO N#CCN1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001160400823 938784776 /nfs/dbraw/zinc/78/47/76/938784776.db2.gz ZVQPWYCNLMDHLB-ZIAGYGMSSA-N 1 2 299.378 1.175 20 30 CDEDLO N#CCN1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001160400823 938784779 /nfs/dbraw/zinc/78/47/79/938784779.db2.gz ZVQPWYCNLMDHLB-ZIAGYGMSSA-N 1 2 299.378 1.175 20 30 CDEDLO C#CCOCCOCCNc1ccc(Cl)c(N)[nH+]1 ZINC001160675119 938811964 /nfs/dbraw/zinc/81/19/64/938811964.db2.gz LDQKQHGCYYKXGK-UHFFFAOYSA-N 1 2 269.732 1.396 20 30 CDEDLO C#CCCN1CCC[C@@H](Nc2nc(C)[nH+]c(C)c2C)C1=O ZINC001160900488 938840770 /nfs/dbraw/zinc/84/07/70/938840770.db2.gz GBBMCPJATKYWOJ-CQSZACIVSA-N 1 2 286.379 1.828 20 30 CDEDLO N#Cc1cccnc1NC1CN(c2cccc[nH+]2)C1 ZINC001161319402 938888043 /nfs/dbraw/zinc/88/80/43/938888043.db2.gz PZYMCBLLRGZYDQ-UHFFFAOYSA-N 1 2 251.293 1.649 20 30 CDEDLO Cc1cc(C#N)c(NC[C@H]([NH3+])C(=O)OC(C)(C)C)nc1C ZINC001162849240 939152630 /nfs/dbraw/zinc/15/26/30/939152630.db2.gz HYQJKRSFINPGBM-LBPRGKRZSA-N 1 2 290.367 1.651 20 30 CDEDLO COc1cc(C[NH+]2CCOCC2)ccc1NCC#N ZINC001163187657 939221560 /nfs/dbraw/zinc/22/15/60/939221560.db2.gz REIAOFYLJLVHOK-UHFFFAOYSA-N 1 2 261.325 1.463 20 30 CDEDLO C[C@@H]1CC[C@@H](O)CN1c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001164121065 939412782 /nfs/dbraw/zinc/41/27/82/939412782.db2.gz DZQGPMBVPYQOKO-MWLCHTKSSA-N 1 2 256.309 1.784 20 30 CDEDLO CC#CC[NH2+]CC1(CCNC(=O)C(F)C(F)(F)F)CC1 ZINC001164592559 939497120 /nfs/dbraw/zinc/49/71/20/939497120.db2.gz IYKXLLSFDXPGKK-SNVBAGLBSA-N 1 2 294.292 1.786 20 30 CDEDLO CC#CC[NH2+]CC1(CCNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001164592559 939497121 /nfs/dbraw/zinc/49/71/21/939497121.db2.gz IYKXLLSFDXPGKK-SNVBAGLBSA-N 1 2 294.292 1.786 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@H](F)Oc1ccc(Cl)nc1 ZINC001164652851 939502235 /nfs/dbraw/zinc/50/22/35/939502235.db2.gz UENLNRPXTYOSDW-KCJUWKMLSA-N 1 2 270.695 1.164 20 30 CDEDLO N#CCc1cc[nH+]c(N2CCC3(CC(=O)CO3)CC2)c1 ZINC001165276663 939539257 /nfs/dbraw/zinc/53/92/57/939539257.db2.gz ZFOFFWDLTFNKFL-UHFFFAOYSA-N 1 2 271.320 1.476 20 30 CDEDLO CC1(C(N)=O)CCN(c2cc(CC#N)cc[nH+]2)CC1 ZINC001166705009 939629627 /nfs/dbraw/zinc/62/96/27/939629627.db2.gz ZGFUBKZFMDPUFQ-UHFFFAOYSA-N 1 2 258.325 1.239 20 30 CDEDLO CC(=O)N(C)C1CN(c2[nH+]ccc3ccc(C#N)cc32)C1 ZINC001166734322 939633044 /nfs/dbraw/zinc/63/30/44/939633044.db2.gz SDEQEFJKYMOMFP-UHFFFAOYSA-N 1 2 280.331 1.773 20 30 CDEDLO C[C@@H]1C[N@H+](C2CN(Cc3ccc(C#N)cc3)C2)C[C@H](C)O1 ZINC001203907142 939713135 /nfs/dbraw/zinc/71/31/35/939713135.db2.gz OFRLYDMBFNHKSM-OKILXGFUSA-N 1 2 285.391 1.852 20 30 CDEDLO C[C@@H]1C[N@@H+](C2CN(Cc3ccc(C#N)cc3)C2)C[C@H](C)O1 ZINC001203907142 939713137 /nfs/dbraw/zinc/71/31/37/939713137.db2.gz OFRLYDMBFNHKSM-OKILXGFUSA-N 1 2 285.391 1.852 20 30 CDEDLO C[C@@H]1CN(C2C[NH+](Cc3ccc(C#N)cc3)C2)C[C@H](C)O1 ZINC001203907142 939713139 /nfs/dbraw/zinc/71/31/39/939713139.db2.gz OFRLYDMBFNHKSM-OKILXGFUSA-N 1 2 285.391 1.852 20 30 CDEDLO N#Cc1ccc(F)c(-c2noc([C@]3([NH3+])CCOC3)n2)c1 ZINC001205219012 939837018 /nfs/dbraw/zinc/83/70/18/939837018.db2.gz LJRKNRMSMDOEJU-ZDUSSCGKSA-N 1 2 274.255 1.322 20 30 CDEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001206938327 940114894 /nfs/dbraw/zinc/11/48/94/940114894.db2.gz RJYFRSOPDHPONB-UKRRQHHQSA-N 1 2 288.395 1.016 20 30 CDEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001206938327 940114895 /nfs/dbraw/zinc/11/48/95/940114895.db2.gz RJYFRSOPDHPONB-UKRRQHHQSA-N 1 2 288.395 1.016 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccnc(C)n2)C1 ZINC001207168636 940162121 /nfs/dbraw/zinc/16/21/21/940162121.db2.gz AYKMFUMHJLILKK-CYBMUJFWSA-N 1 2 290.367 1.662 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccnc(C)n2)C1 ZINC001207168636 940162124 /nfs/dbraw/zinc/16/21/24/940162124.db2.gz AYKMFUMHJLILKK-CYBMUJFWSA-N 1 2 290.367 1.662 20 30 CDEDLO C=CCN(CC[N@H+](C)Cc1cc(C)nn1C)C(=O)OCC ZINC001209021440 940425257 /nfs/dbraw/zinc/42/52/57/940425257.db2.gz DSJOSGCIRCGECL-UHFFFAOYSA-N 1 2 294.399 1.805 20 30 CDEDLO C=CCN(CC[N@@H+](C)Cc1cc(C)nn1C)C(=O)OCC ZINC001209021440 940425258 /nfs/dbraw/zinc/42/52/58/940425258.db2.gz DSJOSGCIRCGECL-UHFFFAOYSA-N 1 2 294.399 1.805 20 30 CDEDLO CC#Cc1cncc(-n2c(N)[nH+]cc2C(=O)OCC)c1 ZINC001211053764 940727752 /nfs/dbraw/zinc/72/77/52/940727752.db2.gz BLNOOJLPWQVNNG-UHFFFAOYSA-N 1 2 270.292 1.398 20 30 CDEDLO C=C1CC[NH2+]C[C@H]1Oc1[nH]c(=O)nc2ccc(C)cc21 ZINC001218203403 941043991 /nfs/dbraw/zinc/04/39/91/941043991.db2.gz FGRDXIGHRUIZEI-CYBMUJFWSA-N 1 2 271.320 1.941 20 30 CDEDLO C=C1CC[NH2+]C[C@H]1Oc1[nH]c(=O)nc2c(C)cccc21 ZINC001218208729 941044067 /nfs/dbraw/zinc/04/40/67/941044067.db2.gz OVICMMHGGVHLRV-GFCCVEGCSA-N 1 2 271.320 1.941 20 30 CDEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001219490736 941350109 /nfs/dbraw/zinc/35/01/09/941350109.db2.gz WOWNHNCVGLYXBL-UWNIJABGSA-N 1 2 284.787 1.094 20 30 CDEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001219490736 941350110 /nfs/dbraw/zinc/35/01/10/941350110.db2.gz WOWNHNCVGLYXBL-UWNIJABGSA-N 1 2 284.787 1.094 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2cccc(C#N)c2Cl)C1 ZINC001229071628 942414085 /nfs/dbraw/zinc/41/40/85/942414085.db2.gz ZATFFFACRWZJIO-NSHDSACASA-N 1 2 266.728 1.921 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2cccc(C#N)c2Cl)C1 ZINC001229071628 942414086 /nfs/dbraw/zinc/41/40/86/942414086.db2.gz ZATFFFACRWZJIO-NSHDSACASA-N 1 2 266.728 1.921 20 30 CDEDLO COCCCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230519022 942629527 /nfs/dbraw/zinc/62/95/27/942629527.db2.gz NKSLCHXOISAZPO-HNNXBMFYSA-N 1 2 293.411 1.640 20 30 CDEDLO COCCCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001230519022 942629529 /nfs/dbraw/zinc/62/95/29/942629529.db2.gz NKSLCHXOISAZPO-HNNXBMFYSA-N 1 2 293.411 1.640 20 30 CDEDLO C[C@H](C#N)C(=O)NCCC[N@H+](CCF)Cc1cccnc1 ZINC001230714158 942682515 /nfs/dbraw/zinc/68/25/15/942682515.db2.gz WYOBVBVPQWBRIJ-CYBMUJFWSA-N 1 2 292.358 1.519 20 30 CDEDLO C[C@H](C#N)C(=O)NCCC[N@@H+](CCF)Cc1cccnc1 ZINC001230714158 942682518 /nfs/dbraw/zinc/68/25/18/942682518.db2.gz WYOBVBVPQWBRIJ-CYBMUJFWSA-N 1 2 292.358 1.519 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccnn1C ZINC001231123342 942793379 /nfs/dbraw/zinc/79/33/79/942793379.db2.gz SRKLUMOLJIHBBY-AWEZNQCLSA-N 1 2 276.384 1.419 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccnn1C ZINC001231123342 942793384 /nfs/dbraw/zinc/79/33/84/942793384.db2.gz SRKLUMOLJIHBBY-AWEZNQCLSA-N 1 2 276.384 1.419 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(OC(C)C)nc2)CC1 ZINC001231538362 942924392 /nfs/dbraw/zinc/92/43/92/942924392.db2.gz IHWWLAMFUNASAH-UHFFFAOYSA-N 1 2 273.380 1.620 20 30 CDEDLO CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2C#N)CC1 ZINC001232961902 943446504 /nfs/dbraw/zinc/44/65/04/943446504.db2.gz IZHODKMGOJBMMG-UHFFFAOYSA-N 1 2 271.364 1.921 20 30 CDEDLO CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2C#N)CC1 ZINC001232961902 943446508 /nfs/dbraw/zinc/44/65/08/943446508.db2.gz IZHODKMGOJBMMG-UHFFFAOYSA-N 1 2 271.364 1.921 20 30 CDEDLO COc1ccc(O[C@@H]2CC[N@H+](Cc3[nH]ccc3C#N)C2)nc1 ZINC001233049851 943477800 /nfs/dbraw/zinc/47/78/00/943477800.db2.gz VAHFOBOKHHTCEQ-CQSZACIVSA-N 1 2 298.346 1.943 20 30 CDEDLO COc1ccc(O[C@@H]2CC[N@@H+](Cc3[nH]ccc3C#N)C2)nc1 ZINC001233049851 943477803 /nfs/dbraw/zinc/47/78/03/943477803.db2.gz VAHFOBOKHHTCEQ-CQSZACIVSA-N 1 2 298.346 1.943 20 30 CDEDLO Cc1cnsc1C[NH+]1CCN(CCC#N)CC1 ZINC001233320608 943539441 /nfs/dbraw/zinc/53/94/41/943539441.db2.gz GRFBVDJHMDKMIX-UHFFFAOYSA-N 1 2 250.371 1.483 20 30 CDEDLO Cc1cc2c[nH]nc2cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001234031982 943721486 /nfs/dbraw/zinc/72/14/86/943721486.db2.gz BAGJYZATOKWDTP-UCHAVSLVSA-N 1 2 285.347 1.863 20 30 CDEDLO Cc1cc2c[nH]nc2cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001234031982 943721489 /nfs/dbraw/zinc/72/14/89/943721489.db2.gz BAGJYZATOKWDTP-UCHAVSLVSA-N 1 2 285.347 1.863 20 30 CDEDLO CCn1ccnc1C[N@@H+]1C[C@@H]2CCN(CCC#N)[C@@H]2C1 ZINC001277939158 944131783 /nfs/dbraw/zinc/13/17/83/944131783.db2.gz OAQWMPHKZZDDKM-UONOGXRCSA-N 1 2 273.384 1.323 20 30 CDEDLO CCn1ccnc1C[N@H+]1C[C@@H]2CCN(CCC#N)[C@@H]2C1 ZINC001277939158 944131785 /nfs/dbraw/zinc/13/17/85/944131785.db2.gz OAQWMPHKZZDDKM-UONOGXRCSA-N 1 2 273.384 1.323 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC(C)(C)O)C1 ZINC001265282170 944318317 /nfs/dbraw/zinc/31/83/17/944318317.db2.gz RLYXSZGBFIXLKL-JTQLQIEISA-N 1 2 260.765 1.090 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC(C)(C)O)C1 ZINC001265282170 944318326 /nfs/dbraw/zinc/31/83/26/944318326.db2.gz RLYXSZGBFIXLKL-JTQLQIEISA-N 1 2 260.765 1.090 20 30 CDEDLO CCCCCCCCNC(=O)N1CC[NH2+]C[C@@H]1C(=O)OC ZINC001239273584 945392163 /nfs/dbraw/zinc/39/21/63/945392163.db2.gz FVSWOGAFMWANDS-CYBMUJFWSA-N 1 2 299.415 1.503 20 30 CDEDLO C=CCS(=O)(=O)Nc1c[nH+]c2cccc(C)n12 ZINC001259923693 945707743 /nfs/dbraw/zinc/70/77/43/945707743.db2.gz WYUMXFGFPWYTOX-UHFFFAOYSA-N 1 2 251.311 1.570 20 30 CDEDLO CCc1nc(C#N)c(C#N)nc1-c1c[nH+]c(N)cc1C ZINC001242078215 946594946 /nfs/dbraw/zinc/59/49/46/946594946.db2.gz UQNXKIYTAVYTEQ-UHFFFAOYSA-N 1 2 264.292 1.735 20 30 CDEDLO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1C#N ZINC001254551709 947520652 /nfs/dbraw/zinc/52/06/52/947520652.db2.gz DINAVPZNBOZUSB-YPMHNXCESA-N 1 2 274.324 1.323 20 30 CDEDLO COC(=O)c1ccc(-c2c[nH+]c(N)c(C)c2)c(C#N)n1 ZINC001245538510 947732850 /nfs/dbraw/zinc/73/28/50/947732850.db2.gz MMGHADMEFCVWFS-UHFFFAOYSA-N 1 2 268.276 1.693 20 30 CDEDLO C=CC[C@H]([NH2+][C@H]1CC[C@H](C(=O)OCC)C1)C(=O)OC ZINC001257030561 948487710 /nfs/dbraw/zinc/48/77/10/948487710.db2.gz VAMXSWILGLDHGM-SRVKXCTJSA-N 1 2 269.341 1.426 20 30 CDEDLO C=C[C@H]1C[C@]1([NH2+]C1CCC(C(=O)OC)CC1)C(=O)OCC ZINC001257857703 948642668 /nfs/dbraw/zinc/64/26/68/948642668.db2.gz WXJSTFJWSFVBJO-SPFUSLPCSA-N 1 2 295.379 1.816 20 30 CDEDLO C#CC[C@H]([NH2+][C@H](C)CCCC(=O)OCC)C(=O)OC ZINC001258113243 948706823 /nfs/dbraw/zinc/70/68/23/948706823.db2.gz UDONBTAHOFPPGW-NEPJUHHUSA-N 1 2 269.341 1.263 20 30 CDEDLO C=C[C@@](C)(O)C[N@@H+]1CCN(c2ccc(F)cc2)C(=O)C1 ZINC001252556675 951450170 /nfs/dbraw/zinc/45/01/70/951450170.db2.gz FQGXHCHQBHATSA-OAHLLOKOSA-N 1 2 278.327 1.411 20 30 CDEDLO C=C[C@@](C)(O)C[N@H+]1CCN(c2ccc(F)cc2)C(=O)C1 ZINC001252556675 951450176 /nfs/dbraw/zinc/45/01/76/951450176.db2.gz FQGXHCHQBHATSA-OAHLLOKOSA-N 1 2 278.327 1.411 20 30 CDEDLO C=C[C@@](C)(O)C[NH2+]C1(c2ccccc2F)COC1 ZINC001252577212 951469182 /nfs/dbraw/zinc/46/91/82/951469182.db2.gz WLEOGUSEGYZHRX-CYBMUJFWSA-N 1 2 251.301 1.578 20 30 CDEDLO C=C[C@H](O)C[N@@H+]1CCc2nc(C(=O)OCC)sc2C1 ZINC001253586890 951978066 /nfs/dbraw/zinc/97/80/66/951978066.db2.gz UGULVICHEYFCIW-VIFPVBQESA-N 1 2 282.365 1.225 20 30 CDEDLO C=C[C@H](O)C[N@H+]1CCc2nc(C(=O)OCC)sc2C1 ZINC001253586890 951978073 /nfs/dbraw/zinc/97/80/73/951978073.db2.gz UGULVICHEYFCIW-VIFPVBQESA-N 1 2 282.365 1.225 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH2+]C[C@@H](O)C(C)C)[C@@H](C)CC ZINC001253779730 952108604 /nfs/dbraw/zinc/10/86/04/952108604.db2.gz ILUPXKIJFWQSOJ-XQQFMLRXSA-N 1 2 257.374 1.737 20 30 CDEDLO C[N@H+](Cc1cn(C[C@@H]2CO2)nn1)Cc1ccccc1 ZINC001254071149 952183361 /nfs/dbraw/zinc/18/33/61/952183361.db2.gz DBZZYPVJRSNPJA-CQSZACIVSA-N 1 2 258.325 1.309 20 30 CDEDLO C[N@@H+](Cc1cn(C[C@@H]2CO2)nn1)Cc1ccccc1 ZINC001254071149 952183364 /nfs/dbraw/zinc/18/33/64/952183364.db2.gz DBZZYPVJRSNPJA-CQSZACIVSA-N 1 2 258.325 1.309 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2cccs2)CC1 ZINC001325725731 954045095 /nfs/dbraw/zinc/04/50/95/954045095.db2.gz WKWAQFYOWQBYQK-UHFFFAOYSA-N 1 2 291.372 1.819 20 30 CDEDLO CC(C)[N@H+](C)CC(=O)Nc1nc(-c2cccc(C#N)c2)n[nH]1 ZINC001364140653 954248891 /nfs/dbraw/zinc/24/88/91/954248891.db2.gz XVMOBZWCAHUPLY-UHFFFAOYSA-N 1 2 298.350 1.622 20 30 CDEDLO CC(C)[N@@H+](C)CC(=O)Nc1nc(-c2cccc(C#N)c2)n[nH]1 ZINC001364140653 954248899 /nfs/dbraw/zinc/24/88/99/954248899.db2.gz XVMOBZWCAHUPLY-UHFFFAOYSA-N 1 2 298.350 1.622 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1ncc(C)cn1 ZINC001493282189 972006924 /nfs/dbraw/zinc/00/69/24/972006924.db2.gz WMDMBMYITZOPAQ-ZDUSSCGKSA-N 1 2 289.383 1.273 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1ncc(C)cn1 ZINC001493282189 972006931 /nfs/dbraw/zinc/00/69/31/972006931.db2.gz WMDMBMYITZOPAQ-ZDUSSCGKSA-N 1 2 289.383 1.273 20 30 CDEDLO Cc1ccc(CNC(=O)Cn2cc[nH+]c2)cc1C#N ZINC001303417534 956080062 /nfs/dbraw/zinc/08/00/62/956080062.db2.gz HILQINBTIXSRRS-UHFFFAOYSA-N 1 2 254.293 1.380 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[NH+](CCc2ccccc2F)CC1 ZINC001365627758 956244488 /nfs/dbraw/zinc/24/44/88/956244488.db2.gz IZWKLVKUZSFQLD-ZDUSSCGKSA-N 1 2 289.354 1.672 20 30 CDEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)CCC)CC1 ZINC001494088554 972173137 /nfs/dbraw/zinc/17/31/37/972173137.db2.gz YXCRLJSGWAEZCV-UHFFFAOYSA-N 1 2 287.835 1.615 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccnn1CC ZINC001422810364 956378347 /nfs/dbraw/zinc/37/83/47/956378347.db2.gz PQHBOBRAQIEVQJ-LLVKDONJSA-N 1 2 284.791 1.706 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccnn1CC ZINC001422810364 956378358 /nfs/dbraw/zinc/37/83/58/956378358.db2.gz PQHBOBRAQIEVQJ-LLVKDONJSA-N 1 2 284.791 1.706 20 30 CDEDLO N#CC1(C[C@H](O)C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001307507782 956415109 /nfs/dbraw/zinc/41/51/09/956415109.db2.gz ZFNOYKQQYTUSDH-AWEZNQCLSA-N 1 2 287.319 1.965 20 30 CDEDLO N#CC1(C[C@H](O)C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001307507782 956415113 /nfs/dbraw/zinc/41/51/13/956415113.db2.gz ZFNOYKQQYTUSDH-AWEZNQCLSA-N 1 2 287.319 1.965 20 30 CDEDLO C=CCCCS(=O)(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001309894393 956657834 /nfs/dbraw/zinc/65/78/34/956657834.db2.gz VYEIWODGFYDHRU-UHFFFAOYSA-N 1 2 271.386 1.919 20 30 CDEDLO C=CCCCS(=O)(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001309894393 956657839 /nfs/dbraw/zinc/65/78/39/956657839.db2.gz VYEIWODGFYDHRU-UHFFFAOYSA-N 1 2 271.386 1.919 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CC[C@@H]2CCCO2)CC1 ZINC001313443720 956861679 /nfs/dbraw/zinc/86/16/79/956861679.db2.gz XSDOELPWSLOCAL-AWEZNQCLSA-N 1 2 264.369 1.113 20 30 CDEDLO Cc1nn(-c2ccccc2C)c(C)c1C=NNC1=[NH+]CCN1 ZINC001331331119 956974345 /nfs/dbraw/zinc/97/43/45/956974345.db2.gz WDICDSHZDBTVDS-UHFFFAOYSA-N 1 2 296.378 1.680 20 30 CDEDLO C=C(C)Cn1nnnc1N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC001333674274 958501340 /nfs/dbraw/zinc/50/13/40/958501340.db2.gz RRGNSKVWBIDDPN-OLZOCXBDSA-N 1 2 287.371 1.533 20 30 CDEDLO CCN(C)c1ccc(C=[NH+]NC(=S)NC(C)C)cn1 ZINC001320697523 959338582 /nfs/dbraw/zinc/33/85/82/959338582.db2.gz SQPPLGXEOSTDAJ-UHFFFAOYSA-N 1 2 279.413 1.744 20 30 CDEDLO C#CCN(CC)c1nnnn1Cc1cc(C)[nH+]c(C)c1 ZINC001336001410 960146481 /nfs/dbraw/zinc/14/64/81/960146481.db2.gz CHBJFSSJNVDBMS-UHFFFAOYSA-N 1 2 270.340 1.193 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](OC)C2CC2)C1 ZINC001419015241 961223150 /nfs/dbraw/zinc/22/31/50/961223150.db2.gz DBFLRBJKENNHEQ-LBPRGKRZSA-N 1 2 272.776 1.212 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(Cl)n(C)n1 ZINC001420266921 962656498 /nfs/dbraw/zinc/65/64/98/962656498.db2.gz NHZIVQCUDQBPBQ-UHFFFAOYSA-N 1 2 291.182 1.488 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(Cl)n(C)n1 ZINC001420266921 962656506 /nfs/dbraw/zinc/65/65/06/962656506.db2.gz NHZIVQCUDQBPBQ-UHFFFAOYSA-N 1 2 291.182 1.488 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccnnc1C ZINC001420595852 963105391 /nfs/dbraw/zinc/10/53/91/963105391.db2.gz MVKZDSZFINWDTB-JTQLQIEISA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccnnc1C ZINC001420595852 963105399 /nfs/dbraw/zinc/10/53/99/963105399.db2.gz MVKZDSZFINWDTB-JTQLQIEISA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1CCCO1)C1CC1 ZINC001420628317 963138226 /nfs/dbraw/zinc/13/82/26/963138226.db2.gz AQVBMMJIVWXVBG-LBPRGKRZSA-N 1 2 272.776 1.499 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1CCCO1)C1CC1 ZINC001420628317 963138228 /nfs/dbraw/zinc/13/82/28/963138228.db2.gz AQVBMMJIVWXVBG-LBPRGKRZSA-N 1 2 272.776 1.499 20 30 CDEDLO C=C[C@@H](COC)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001342763526 963820517 /nfs/dbraw/zinc/82/05/17/963820517.db2.gz YEFLBJXXRKGDNX-ZDUSSCGKSA-N 1 2 271.320 1.803 20 30 CDEDLO CC(C)[N@@H+]1CCC[C@H]1C(=O)[C@H](C#N)c1ccncn1 ZINC001343241140 963934641 /nfs/dbraw/zinc/93/46/41/963934641.db2.gz MWNPLIYJQFYXIE-YPMHNXCESA-N 1 2 258.325 1.526 20 30 CDEDLO CC(C)[N@H+]1CCC[C@H]1C(=O)[C@H](C#N)c1ccncn1 ZINC001343241140 963934643 /nfs/dbraw/zinc/93/46/43/963934643.db2.gz MWNPLIYJQFYXIE-YPMHNXCESA-N 1 2 258.325 1.526 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)OCc1c[nH+]cn1CC ZINC001344972063 964517220 /nfs/dbraw/zinc/51/72/20/964517220.db2.gz LNLIEJADIHATKW-CHWSQXEVSA-N 1 2 264.325 1.927 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccnn1C ZINC001445698531 966289998 /nfs/dbraw/zinc/28/99/98/966289998.db2.gz WTVMXQQQDXNALO-SNVBAGLBSA-N 1 2 270.764 1.223 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccnn1C ZINC001445698531 966290005 /nfs/dbraw/zinc/29/00/05/966290005.db2.gz WTVMXQQQDXNALO-SNVBAGLBSA-N 1 2 270.764 1.223 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cccnc1OC ZINC001445796352 966341994 /nfs/dbraw/zinc/34/19/94/966341994.db2.gz JSRSIBQNRLFAME-LLVKDONJSA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cccnc1OC ZINC001445796352 966342004 /nfs/dbraw/zinc/34/20/04/966342004.db2.gz JSRSIBQNRLFAME-LLVKDONJSA-N 1 2 297.786 1.893 20 30 CDEDLO C#CC[NH+]1CCN(c2ncnc(-c3ccccc3)n2)CC1 ZINC001349972481 966547707 /nfs/dbraw/zinc/54/77/07/966547707.db2.gz VMBHLBIPUWWWAJ-UHFFFAOYSA-N 1 2 279.347 1.294 20 30 CDEDLO C#C[C@H](C)NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001350542551 966692297 /nfs/dbraw/zinc/69/22/97/966692297.db2.gz DZVHTPDGZNVRRG-QWHCGFSZSA-N 1 2 274.368 1.406 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2cc(OC)no2)CC1 ZINC001002643769 968925173 /nfs/dbraw/zinc/92/51/73/968925173.db2.gz YJKHMGYQBYESPF-UHFFFAOYSA-N 1 2 299.758 1.630 20 30 CDEDLO C#C[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000848748755 969270364 /nfs/dbraw/zinc/27/03/64/969270364.db2.gz BFELPIZZTGCNDM-CYBMUJFWSA-N 1 2 272.352 1.163 20 30 CDEDLO C#C[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000848748755 969270373 /nfs/dbraw/zinc/27/03/73/969270373.db2.gz BFELPIZZTGCNDM-CYBMUJFWSA-N 1 2 272.352 1.163 20 30 CDEDLO CC(C)NC(=O)[C@H](C#N)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001356275552 969366626 /nfs/dbraw/zinc/36/66/26/969366626.db2.gz NGUXHMLTYWTZJK-VXGBXAGGSA-N 1 2 265.357 1.093 20 30 CDEDLO CC(C)NC(=O)[C@H](C#N)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001356275552 969366634 /nfs/dbraw/zinc/36/66/34/969366634.db2.gz NGUXHMLTYWTZJK-VXGBXAGGSA-N 1 2 265.357 1.093 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C1(C)CCOCC1 ZINC001375128673 974269873 /nfs/dbraw/zinc/26/98/73/974269873.db2.gz WLOGIKNXGSJRTM-GFCCVEGCSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C1(C)CCOCC1 ZINC001375128673 974269877 /nfs/dbraw/zinc/26/98/77/974269877.db2.gz WLOGIKNXGSJRTM-GFCCVEGCSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C1(COC)CCCC1 ZINC001377161917 974910115 /nfs/dbraw/zinc/91/01/15/974910115.db2.gz FKSQMYPCHPGLFC-UHFFFAOYSA-N 1 2 288.819 1.994 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C1(COC)CCCC1 ZINC001377161917 974910118 /nfs/dbraw/zinc/91/01/18/974910118.db2.gz FKSQMYPCHPGLFC-UHFFFAOYSA-N 1 2 288.819 1.994 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1c(C)nn(C)c1C ZINC001505972083 975064151 /nfs/dbraw/zinc/06/41/51/975064151.db2.gz JKKYLSQVYKCOGY-SNVBAGLBSA-N 1 2 298.818 1.840 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1c(C)nn(C)c1C ZINC001505972083 975064156 /nfs/dbraw/zinc/06/41/56/975064156.db2.gz JKKYLSQVYKCOGY-SNVBAGLBSA-N 1 2 298.818 1.840 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCc2ccn(C)n2)C1 ZINC001378109981 975245514 /nfs/dbraw/zinc/24/55/14/975245514.db2.gz YWQGBLVMPUJPTI-CYBMUJFWSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCc2ccn(C)n2)C1 ZINC001378109981 975245520 /nfs/dbraw/zinc/24/55/20/975245520.db2.gz YWQGBLVMPUJPTI-CYBMUJFWSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](C)OCC2CC2)C1 ZINC001404883058 975525605 /nfs/dbraw/zinc/52/56/05/975525605.db2.gz ZGQORKWNUBGIEH-LLVKDONJSA-N 1 2 286.803 1.602 20 30 CDEDLO CCC(=O)NC[C@H]1CC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC001401887614 975976646 /nfs/dbraw/zinc/97/66/46/975976646.db2.gz ZADRXLGVWAQAOV-CQSZACIVSA-N 1 2 287.363 1.667 20 30 CDEDLO CCC(=O)NC[C@H]1CC[N@H+]1Cc1cc(C#N)ccc1OC ZINC001401887614 975976653 /nfs/dbraw/zinc/97/66/53/975976653.db2.gz ZADRXLGVWAQAOV-CQSZACIVSA-N 1 2 287.363 1.667 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)Cn2nccc2C)C1 ZINC001402133156 976139163 /nfs/dbraw/zinc/13/91/63/976139163.db2.gz INANMORHPCTJOQ-CQSZACIVSA-N 1 2 296.802 1.525 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2nccc2C)C1 ZINC001402133156 976139169 /nfs/dbraw/zinc/13/91/69/976139169.db2.gz INANMORHPCTJOQ-CQSZACIVSA-N 1 2 296.802 1.525 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)COCC2CC2)C1 ZINC001402159013 976154290 /nfs/dbraw/zinc/15/42/90/976154290.db2.gz VUOBMQNJRHJMBR-GFCCVEGCSA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)COCC2CC2)C1 ZINC001402159013 976154297 /nfs/dbraw/zinc/15/42/97/976154297.db2.gz VUOBMQNJRHJMBR-GFCCVEGCSA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cncnc1C ZINC001406577833 976266572 /nfs/dbraw/zinc/26/65/72/976266572.db2.gz DBZKZDFMSDYASI-JTQLQIEISA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cncnc1C ZINC001406577833 976266579 /nfs/dbraw/zinc/26/65/79/976266579.db2.gz DBZKZDFMSDYASI-JTQLQIEISA-N 1 2 282.775 1.588 20 30 CDEDLO COc1cc(C#N)ccc1NC(=O)NCc1ccc[nH+]c1N ZINC001414438853 977194355 /nfs/dbraw/zinc/19/43/55/977194355.db2.gz VCXILGWHQBETSG-UHFFFAOYSA-N 1 2 297.318 1.866 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCn1cccn1 ZINC001392637350 977520282 /nfs/dbraw/zinc/52/02/82/977520282.db2.gz ORFYZOJRFJBLAR-LBPRGKRZSA-N 1 2 284.791 1.462 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCn1cccn1 ZINC001392637350 977520288 /nfs/dbraw/zinc/52/02/88/977520288.db2.gz ORFYZOJRFJBLAR-LBPRGKRZSA-N 1 2 284.791 1.462 20 30 CDEDLO C#CCCCCCC(=O)NCC[NH2+]Cc1csnn1 ZINC001132399008 1163266630 /nfs/dbraw/zinc/26/66/30/1163266630.db2.gz YKBGAJSTFFRXFB-UHFFFAOYSA-N 1 2 280.397 1.328 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001132569168 1163377092 /nfs/dbraw/zinc/37/70/92/1163377092.db2.gz MCTFJRUNMMZEBG-AAEUAGOBSA-N 1 2 276.384 1.449 20 30 CDEDLO CC#CCCCC(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001132592744 1163395036 /nfs/dbraw/zinc/39/50/36/1163395036.db2.gz BFBFAVAUUYRMTR-NSHDSACASA-N 1 2 278.356 1.338 20 30 CDEDLO C=C[C@@H](C(=O)OC)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000588206882 342494213 /nfs/dbraw/zinc/49/42/13/342494213.db2.gz QIMMFFWBQUPFOY-OLZOCXBDSA-N 1 2 262.309 1.262 20 30 CDEDLO N#Cc1cccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000589359508 342504756 /nfs/dbraw/zinc/50/47/56/342504756.db2.gz HAJMTXWIIQMOLE-UHFFFAOYSA-N 1 2 281.319 1.696 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccn(-c2ccccc2)n1 ZINC000589827819 342514897 /nfs/dbraw/zinc/51/48/97/342514897.db2.gz MTTKJYNHDHKEAJ-MRXNPFEDSA-N 1 2 297.362 1.446 20 30 CDEDLO N#C[C@@]1(F)CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000619445372 342515006 /nfs/dbraw/zinc/51/50/06/342515006.db2.gz WZNCEOJLOYRGMB-HIFRSBDPSA-N 1 2 295.358 1.094 20 30 CDEDLO N#C[C@@]1(F)CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000619445372 342515007 /nfs/dbraw/zinc/51/50/07/342515007.db2.gz WZNCEOJLOYRGMB-HIFRSBDPSA-N 1 2 295.358 1.094 20 30 CDEDLO COC(=O)c1ccc2c(c1)C[N@@H+](CCOCCC#N)C2 ZINC000590160214 342523440 /nfs/dbraw/zinc/52/34/40/342523440.db2.gz RDFAOSCZOZIRJT-UHFFFAOYSA-N 1 2 274.320 1.719 20 30 CDEDLO COC(=O)c1ccc2c(c1)C[N@H+](CCOCCC#N)C2 ZINC000590160214 342523441 /nfs/dbraw/zinc/52/34/41/342523441.db2.gz RDFAOSCZOZIRJT-UHFFFAOYSA-N 1 2 274.320 1.719 20 30 CDEDLO Cc1cc(N2CCN(CCC#N)CC2)nc(C2CC2)[nH+]1 ZINC000601262566 342539959 /nfs/dbraw/zinc/53/99/59/342539959.db2.gz LVDQLFQPZCVOPD-UHFFFAOYSA-N 1 2 271.368 1.698 20 30 CDEDLO N#CCc1ccc(C(=O)N2CCc3[nH]c[nH+]c3C2)cc1 ZINC000590378046 342540955 /nfs/dbraw/zinc/54/09/55/342540955.db2.gz CLKDBGKAQPLSIN-UHFFFAOYSA-N 1 2 266.304 1.674 20 30 CDEDLO N#CCc1ccc(C(=O)N2CCc3[nH+]c[nH]c3C2)cc1 ZINC000590378046 342540956 /nfs/dbraw/zinc/54/09/56/342540956.db2.gz CLKDBGKAQPLSIN-UHFFFAOYSA-N 1 2 266.304 1.674 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289975580 197547803 /nfs/dbraw/zinc/54/78/03/197547803.db2.gz RKMRFNXWCKJRCE-ZYHUDNBSSA-N 1 2 282.775 1.474 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289975580 197547804 /nfs/dbraw/zinc/54/78/04/197547804.db2.gz RKMRFNXWCKJRCE-ZYHUDNBSSA-N 1 2 282.775 1.474 20 30 CDEDLO CO[C@](C)(C(=O)NC[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000329681972 361758949 /nfs/dbraw/zinc/75/89/49/361758949.db2.gz XEGYULMAJUVPCH-AAEUAGOBSA-N 1 2 256.346 1.089 20 30 CDEDLO CO[C@](C)(C(=O)NC[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000329681972 361758952 /nfs/dbraw/zinc/75/89/52/361758952.db2.gz XEGYULMAJUVPCH-AAEUAGOBSA-N 1 2 256.346 1.089 20 30 CDEDLO COc1ccc(CN2CCn3cc[nH+]c3C2)cc1C#N ZINC000087833383 361796671 /nfs/dbraw/zinc/79/66/71/361796671.db2.gz LGYLUXMGVSJLSE-UHFFFAOYSA-N 1 2 268.320 1.779 20 30 CDEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000351606453 361797428 /nfs/dbraw/zinc/79/74/28/361797428.db2.gz CQYUVDGAXBVWIH-LBPRGKRZSA-N 1 2 261.325 1.730 20 30 CDEDLO CN(CC[NH+]1CCOCC1)C(=O)CCCCCC#N ZINC000588341385 342049447 /nfs/dbraw/zinc/04/94/47/342049447.db2.gz JPWUUWIQKXBNAD-UHFFFAOYSA-N 1 2 267.373 1.251 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC ZINC000590652727 342580718 /nfs/dbraw/zinc/58/07/18/342580718.db2.gz MHQASAPZYXMDMY-LOWDOPEQSA-N 1 2 271.357 1.276 20 30 CDEDLO N#CCSCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609131025 342091437 /nfs/dbraw/zinc/09/14/37/342091437.db2.gz GMVOHSREWOKTDO-LLVKDONJSA-N 1 2 264.354 1.303 20 30 CDEDLO Cc1cc(C)c(C#N)c(NCC[N@H+]2CCOC[C@H]2C)n1 ZINC000609150206 342092444 /nfs/dbraw/zinc/09/24/44/342092444.db2.gz XZCSNEOFCMFBQD-CYBMUJFWSA-N 1 2 274.368 1.703 20 30 CDEDLO Cc1cc(C)c(C#N)c(NCC[N@@H+]2CCOC[C@H]2C)n1 ZINC000609150206 342092445 /nfs/dbraw/zinc/09/24/45/342092445.db2.gz XZCSNEOFCMFBQD-CYBMUJFWSA-N 1 2 274.368 1.703 20 30 CDEDLO CC(=O)N1CCC(Nc2cc(C)[nH+]cc2C#N)CC1 ZINC000591817546 342647259 /nfs/dbraw/zinc/64/72/59/342647259.db2.gz VMOFGJVURMOJHI-UHFFFAOYSA-N 1 2 258.325 1.106 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592187820 342680448 /nfs/dbraw/zinc/68/04/48/342680448.db2.gz LNXQOXYVKWOYRR-LBPRGKRZSA-N 1 2 295.383 1.032 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592187820 342680449 /nfs/dbraw/zinc/68/04/49/342680449.db2.gz LNXQOXYVKWOYRR-LBPRGKRZSA-N 1 2 295.383 1.032 20 30 CDEDLO Cc1cccc2[nH+]c(CCNC(=O)NC[C@H](C)C#N)cn21 ZINC000592007637 342661475 /nfs/dbraw/zinc/66/14/75/342661475.db2.gz MQFFHBKMAPCECJ-LLVKDONJSA-N 1 2 285.351 1.644 20 30 CDEDLO CC[C@H]1C[N@H+](CC(=O)N(CC)CCC#N)[C@@H](C)CO1 ZINC000593065177 342761680 /nfs/dbraw/zinc/76/16/80/342761680.db2.gz YTTVHXGHYFCGCP-STQMWFEESA-N 1 2 267.373 1.248 20 30 CDEDLO CC[C@H]1C[N@@H+](CC(=O)N(CC)CCC#N)[C@@H](C)CO1 ZINC000593065177 342761681 /nfs/dbraw/zinc/76/16/81/342761681.db2.gz YTTVHXGHYFCGCP-STQMWFEESA-N 1 2 267.373 1.248 20 30 CDEDLO C[C@H]1CCCc2ncc(C(=O)N[C@](C)(C#N)C[NH+](C)C)n21 ZINC000593153535 342774047 /nfs/dbraw/zinc/77/40/47/342774047.db2.gz SVWHRXHVOPMOIU-XHDPSFHLSA-N 1 2 289.383 1.354 20 30 CDEDLO C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C1CCCC1 ZINC000593154460 342774060 /nfs/dbraw/zinc/77/40/60/342774060.db2.gz SMTKIPUZNVZGNY-SMDDNHRTSA-N 1 2 251.374 1.773 20 30 CDEDLO C[C@@H](OCc1ccccc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593155378 342774411 /nfs/dbraw/zinc/77/44/11/342774411.db2.gz RTOOUDGTIBJOGO-CJNGLKHVSA-N 1 2 289.379 1.552 20 30 CDEDLO CC[C@@H](C#N)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000593416893 342799631 /nfs/dbraw/zinc/79/96/31/342799631.db2.gz CSUOHNIOTQMULO-NSHDSACASA-N 1 2 256.309 1.809 20 30 CDEDLO N#Cc1ccc(NCCCNc2cccc[nH+]2)nn1 ZINC000157940878 342210820 /nfs/dbraw/zinc/21/08/20/342210820.db2.gz IVRGCHGBVYCNAK-UHFFFAOYSA-N 1 2 254.297 1.657 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCc2n[nH]cc2C1 ZINC000091078087 342232497 /nfs/dbraw/zinc/23/24/97/342232497.db2.gz XNVXRWVSTYJVHE-LBPRGKRZSA-N 1 2 276.384 1.581 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCc2n[nH]cc2C1 ZINC000091078087 342232498 /nfs/dbraw/zinc/23/24/98/342232498.db2.gz XNVXRWVSTYJVHE-LBPRGKRZSA-N 1 2 276.384 1.581 20 30 CDEDLO C[N@@H+](Cc1ncc[nH]1)C[C@H](O)COc1ccccc1C#N ZINC000599338138 344012373 /nfs/dbraw/zinc/01/23/73/344012373.db2.gz PGMFRXHHYJRNNE-ZDUSSCGKSA-N 1 2 286.335 1.153 20 30 CDEDLO C[N@H+](Cc1ncc[nH]1)C[C@H](O)COc1ccccc1C#N ZINC000599338138 344012375 /nfs/dbraw/zinc/01/23/75/344012375.db2.gz PGMFRXHHYJRNNE-ZDUSSCGKSA-N 1 2 286.335 1.153 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C[C@H](O)COc1ccccc1C#N ZINC000599338138 344012378 /nfs/dbraw/zinc/01/23/78/344012378.db2.gz PGMFRXHHYJRNNE-ZDUSSCGKSA-N 1 2 286.335 1.153 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000595398848 343048021 /nfs/dbraw/zinc/04/80/21/343048021.db2.gz ADLVFQKLNSUFOF-BXUZGUMPSA-N 1 2 277.372 1.284 20 30 CDEDLO N#CCNC(=O)C[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000076669058 342322973 /nfs/dbraw/zinc/32/29/73/342322973.db2.gz HYTDOGXQDZIBTK-UHFFFAOYSA-N 1 2 279.290 1.569 20 30 CDEDLO N#CCNC(=O)C[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000076669058 342322974 /nfs/dbraw/zinc/32/29/74/342322974.db2.gz HYTDOGXQDZIBTK-UHFFFAOYSA-N 1 2 279.290 1.569 20 30 CDEDLO CNS(=O)(=O)c1ccc(C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000595500383 343078392 /nfs/dbraw/zinc/07/83/92/343078392.db2.gz IVTJSSYILNYNGX-UHFFFAOYSA-N 1 2 295.408 1.576 20 30 CDEDLO CNS(=O)(=O)c1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000595500383 343078394 /nfs/dbraw/zinc/07/83/94/343078394.db2.gz IVTJSSYILNYNGX-UHFFFAOYSA-N 1 2 295.408 1.576 20 30 CDEDLO N#CCC[N@H+](CCN1CCOCC1)CC1CCC(=O)CC1 ZINC000450464385 362042420 /nfs/dbraw/zinc/04/24/20/362042420.db2.gz YKRNHVQODBEYRT-UHFFFAOYSA-N 1 2 293.411 1.294 20 30 CDEDLO N#CCC[N@@H+](CCN1CCOCC1)CC1CCC(=O)CC1 ZINC000450464385 362042424 /nfs/dbraw/zinc/04/24/24/362042424.db2.gz YKRNHVQODBEYRT-UHFFFAOYSA-N 1 2 293.411 1.294 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000595616550 343110131 /nfs/dbraw/zinc/11/01/31/343110131.db2.gz RUIQLUNRRYZZQW-SMDDNHRTSA-N 1 2 275.327 1.978 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000595616550 343110132 /nfs/dbraw/zinc/11/01/32/343110132.db2.gz RUIQLUNRRYZZQW-SMDDNHRTSA-N 1 2 275.327 1.978 20 30 CDEDLO C=CCOCC[NH2+][C@@]1(C(=O)OC)CC[C@H](C)CC1 ZINC000595705304 343127715 /nfs/dbraw/zinc/12/77/15/343127715.db2.gz SBFOKZMFPVDOLW-MQMHXKEQSA-N 1 2 255.358 1.901 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1cccc(C#N)c1 ZINC000048978295 342350980 /nfs/dbraw/zinc/35/09/80/342350980.db2.gz NSXYKTOYPZAODZ-GFCCVEGCSA-N 1 2 283.335 1.643 20 30 CDEDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1ccc(C#N)s1 ZINC000126501487 187244072 /nfs/dbraw/zinc/24/40/72/187244072.db2.gz SEUAXCKRZDXXQP-SNVBAGLBSA-N 1 2 286.422 1.875 20 30 CDEDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000126501487 187244074 /nfs/dbraw/zinc/24/40/74/187244074.db2.gz SEUAXCKRZDXXQP-SNVBAGLBSA-N 1 2 286.422 1.875 20 30 CDEDLO C[N@H+](Cc1cccc(O)c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000080925208 342360823 /nfs/dbraw/zinc/36/08/23/342360823.db2.gz PAZAMSLIIWZVKE-INIZCTEOSA-N 1 2 295.342 1.922 20 30 CDEDLO C[N@@H+](Cc1cccc(O)c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000080925208 342360824 /nfs/dbraw/zinc/36/08/24/342360824.db2.gz PAZAMSLIIWZVKE-INIZCTEOSA-N 1 2 295.342 1.922 20 30 CDEDLO N#Cc1csc(C(=O)NCCNc2cccc[nH+]2)c1 ZINC000084383447 342378799 /nfs/dbraw/zinc/37/87/99/342378799.db2.gz QBJAZHTZUSBMTD-UHFFFAOYSA-N 1 2 272.333 1.857 20 30 CDEDLO CCc1cc(NCCc2ccc(C#N)cc2)nc[nH+]1 ZINC000596321388 343302554 /nfs/dbraw/zinc/30/25/54/343302554.db2.gz XYDOLDKJUQKXSD-UHFFFAOYSA-N 1 2 252.321 1.987 20 30 CDEDLO C[C@@H](Nc1ccc(Cl)c(C#N)n1)c1[nH+]ccn1C ZINC000596544834 343347617 /nfs/dbraw/zinc/34/76/17/343347617.db2.gz VBMADHVZARIHPV-MRVPVSSYSA-N 1 2 261.716 1.935 20 30 CDEDLO CN1CC[N@H+](C)[C@H](CNC(=O)CC2(C#N)CCCCC2)C1 ZINC000597211415 343475894 /nfs/dbraw/zinc/47/58/94/343475894.db2.gz YXXZTYKSENJSQW-CQSZACIVSA-N 1 2 292.427 1.213 20 30 CDEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)CC2(C#N)CCCCC2)C1 ZINC000597211415 343475896 /nfs/dbraw/zinc/47/58/96/343475896.db2.gz YXXZTYKSENJSQW-CQSZACIVSA-N 1 2 292.427 1.213 20 30 CDEDLO COCC[N@H+](CCC#N)CCC(=O)N1CCC[C@@H]1C ZINC000072689158 349812115 /nfs/dbraw/zinc/81/21/15/349812115.db2.gz HOYDZSPPLBLGNQ-ZDUSSCGKSA-N 1 2 267.373 1.249 20 30 CDEDLO COCC[N@@H+](CCC#N)CCC(=O)N1CCC[C@@H]1C ZINC000072689158 349812118 /nfs/dbraw/zinc/81/21/18/349812118.db2.gz HOYDZSPPLBLGNQ-ZDUSSCGKSA-N 1 2 267.373 1.249 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@](C)(C#N)C1 ZINC000597494125 343558026 /nfs/dbraw/zinc/55/80/26/343558026.db2.gz HAFCHOKHPCOHRF-LALPHHSUSA-N 1 2 272.352 1.676 20 30 CDEDLO Cn1c[nH+]c(CCNC(=O)CC2(C#N)CCCCC2)c1 ZINC000597760190 343617294 /nfs/dbraw/zinc/61/72/94/343617294.db2.gz FPKCOMUJTPISAW-UHFFFAOYSA-N 1 2 274.368 1.943 20 30 CDEDLO CC(C)(C(=O)N1CCC[C@@H](CC#N)C1)[NH+]1CCOCC1 ZINC000597902911 343666141 /nfs/dbraw/zinc/66/61/41/343666141.db2.gz FGAUYIFEXYQFDG-ZDUSSCGKSA-N 1 2 279.384 1.249 20 30 CDEDLO Cc1ncc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)o1 ZINC000600111789 349835337 /nfs/dbraw/zinc/83/53/37/349835337.db2.gz MSIPEOKYNORJKR-UHFFFAOYSA-N 1 2 283.335 1.572 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)c2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000597995909 343684747 /nfs/dbraw/zinc/68/47/47/343684747.db2.gz HCENVGVAUXXAJG-STQMWFEESA-N 1 2 287.363 1.397 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000597995909 343684749 /nfs/dbraw/zinc/68/47/49/343684749.db2.gz HCENVGVAUXXAJG-STQMWFEESA-N 1 2 287.363 1.397 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000619718358 349868677 /nfs/dbraw/zinc/86/86/77/349868677.db2.gz LFONCQFGSBKOMP-CABCVRRESA-N 1 2 297.395 1.764 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000619717856 349868901 /nfs/dbraw/zinc/86/89/01/349868901.db2.gz QSDVXQHUUNWXKS-CABCVRRESA-N 1 2 293.363 1.224 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000619717856 349868905 /nfs/dbraw/zinc/86/89/05/349868905.db2.gz QSDVXQHUUNWXKS-CABCVRRESA-N 1 2 293.363 1.224 20 30 CDEDLO C[C@H](NC(=O)COc1ccc(C#N)cc1)c1[nH+]ccn1C ZINC000598459669 343805016 /nfs/dbraw/zinc/80/50/16/343805016.db2.gz KPVMNACLTYZVJC-NSHDSACASA-N 1 2 284.319 1.548 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000598605954 343851632 /nfs/dbraw/zinc/85/16/32/343851632.db2.gz FEQPBSVLRIBGMD-ZIAGYGMSSA-N 1 2 299.378 1.784 20 30 CDEDLO Cc1nccnc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000598678685 343875775 /nfs/dbraw/zinc/87/57/75/343875775.db2.gz MHYCUKXZFUJODO-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO CSc1cc(C)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)o1 ZINC000598836335 343914570 /nfs/dbraw/zinc/91/45/70/343914570.db2.gz GTNPLRLRNDMOIH-CYBMUJFWSA-N 1 2 281.381 1.884 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](C)C1(C(=O)OC)CCCC1 ZINC000159417068 362320387 /nfs/dbraw/zinc/32/03/87/362320387.db2.gz WAMMZQOWXWMJFH-UHFFFAOYSA-N 1 2 295.383 1.166 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)C1(C(=O)OC)CCCC1 ZINC000159417068 362320389 /nfs/dbraw/zinc/32/03/89/362320389.db2.gz WAMMZQOWXWMJFH-UHFFFAOYSA-N 1 2 295.383 1.166 20 30 CDEDLO CCC(C#N)(CC)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000599664428 344124016 /nfs/dbraw/zinc/12/40/16/344124016.db2.gz MULYTNLTJWFURS-CYBMUJFWSA-N 1 2 279.384 1.249 20 30 CDEDLO Cc1cn2ccc(C(=O)N[C@]3(C#N)CCSC3)cc2[nH+]1 ZINC000602085099 344329622 /nfs/dbraw/zinc/32/96/22/344329622.db2.gz GONVEZJBYAGVRQ-AWEZNQCLSA-N 1 2 286.360 1.772 20 30 CDEDLO C=CCC[C@@H]([NH2+][C@H](C)Cn1cncn1)C(=O)OCC ZINC000602682855 344528946 /nfs/dbraw/zinc/52/89/46/344528946.db2.gz SMCNCVXEYDGKRO-VXGBXAGGSA-N 1 2 266.345 1.154 20 30 CDEDLO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N)c1 ZINC000602860245 344616149 /nfs/dbraw/zinc/61/61/49/344616149.db2.gz AKAZOHCKJAPRPV-QWRGUYRKSA-N 1 2 291.351 1.923 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)NCCc1cccs1 ZINC000602860657 344616684 /nfs/dbraw/zinc/61/66/84/344616684.db2.gz DBFCPTKIQGFMSJ-MNOVXSKESA-N 1 2 265.382 1.687 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000602861310 344616800 /nfs/dbraw/zinc/61/68/00/344616800.db2.gz GBRZIUUDRXQLPO-QNWHQSFQSA-N 1 2 251.374 1.819 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000602860917 344616898 /nfs/dbraw/zinc/61/68/98/344616898.db2.gz DWNNHEUQVOKLNM-NQBHXWOUSA-N 1 2 250.346 1.321 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000602862960 344617901 /nfs/dbraw/zinc/61/79/01/344617901.db2.gz LJHFQZYRXXNFRL-RYUDHWBXSA-N 1 2 262.357 1.609 20 30 CDEDLO Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000602863622 344621578 /nfs/dbraw/zinc/62/15/78/344621578.db2.gz OWKFKGXNTCXGSB-KGLIPLIRSA-N 1 2 273.380 1.934 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(C)Cc1cccs1 ZINC000602865095 344638449 /nfs/dbraw/zinc/63/84/49/344638449.db2.gz SSEPSDFFMNYXCX-JTQLQIEISA-N 1 2 251.355 1.598 20 30 CDEDLO C[C@H](CC#N)[NH2+]Cc1ccc(OCC(F)(F)F)nn1 ZINC000602868528 344640011 /nfs/dbraw/zinc/64/00/11/344640011.db2.gz CESBTFLBNGQADF-MRVPVSSYSA-N 1 2 274.246 1.809 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(Br)cn1 ZINC000602870789 344640948 /nfs/dbraw/zinc/64/09/48/344640948.db2.gz XCEFNPVQJNQIFY-QMMMGPOBSA-N 1 2 297.156 1.674 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000602870424 344640987 /nfs/dbraw/zinc/64/09/87/344640987.db2.gz TUAZPZKLQPBNAY-QMMMGPOBSA-N 1 2 281.385 1.666 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000602870380 344641074 /nfs/dbraw/zinc/64/10/74/344641074.db2.gz STECCGKSTKQBLC-QWRGUYRKSA-N 1 2 286.335 1.252 20 30 CDEDLO Cc1c(-c2cc(C[NH2+][C@H](C)CC#N)on2)cnn1C ZINC000602871483 344641661 /nfs/dbraw/zinc/64/16/61/344641661.db2.gz SACTVEAKOOMQCW-SECBINFHSA-N 1 2 259.313 1.775 20 30 CDEDLO Cc1cccn2cc(Cn3cc(CCC#N)nn3)[nH+]c12 ZINC000603203796 344735053 /nfs/dbraw/zinc/73/50/53/344735053.db2.gz JHGKQSUCOIZWNG-UHFFFAOYSA-N 1 2 266.308 1.739 20 30 CDEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)NC2CCCC2)CC1 ZINC000609485268 344914426 /nfs/dbraw/zinc/91/44/26/344914426.db2.gz MEEZTSAIYGULAC-OAHLLOKOSA-N 1 2 292.427 1.211 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C(=O)OC)CC1 ZINC000052278976 345238168 /nfs/dbraw/zinc/23/81/68/345238168.db2.gz JBCIZVBGDJSUKE-ZDUSSCGKSA-N 1 2 297.399 1.184 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)N[C@@H](C)CC#N)cc2n1C ZINC000335757203 345741447 /nfs/dbraw/zinc/74/14/47/345741447.db2.gz KTHMYCYJNZUMGM-VIFPVBQESA-N 1 2 256.309 1.914 20 30 CDEDLO N#CC1(C(=O)N2CC(Oc3cc[nH+]cc3)C2)CCCC1 ZINC000609569233 345812478 /nfs/dbraw/zinc/81/24/78/345812478.db2.gz NRMDKDFBCHXHFF-UHFFFAOYSA-N 1 2 271.320 1.755 20 30 CDEDLO CC(C)C1C[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000619506684 345779521 /nfs/dbraw/zinc/77/95/21/345779521.db2.gz JRNSCRYLFDEFSU-UHFFFAOYSA-N 1 2 292.404 1.920 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617725157 345929833 /nfs/dbraw/zinc/92/98/33/345929833.db2.gz IEECCIHEYWOGAQ-IIAWOOMASA-N 1 2 298.427 1.441 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617725157 345929836 /nfs/dbraw/zinc/92/98/36/345929836.db2.gz IEECCIHEYWOGAQ-IIAWOOMASA-N 1 2 298.427 1.441 20 30 CDEDLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)NCC#N ZINC000610003889 346056723 /nfs/dbraw/zinc/05/67/23/346056723.db2.gz MVRWSMIDDDWOKC-SNVBAGLBSA-N 1 2 261.300 1.385 20 30 CDEDLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)NCC#N ZINC000610003889 346056726 /nfs/dbraw/zinc/05/67/26/346056726.db2.gz MVRWSMIDDDWOKC-SNVBAGLBSA-N 1 2 261.300 1.385 20 30 CDEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000611260423 346722430 /nfs/dbraw/zinc/72/24/30/346722430.db2.gz WWOSCTIWFVJNAE-UHFFFAOYSA-N 1 2 298.350 1.469 20 30 CDEDLO C[C@H](C#N)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000612585072 347217172 /nfs/dbraw/zinc/21/71/72/347217172.db2.gz OHFRFCRMUFEUSA-SECBINFHSA-N 1 2 277.280 1.615 20 30 CDEDLO CCC[N@H+](CC1(C#N)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000450265193 362807211 /nfs/dbraw/zinc/80/72/11/362807211.db2.gz WWIVJUJSSPRHBK-LBPRGKRZSA-N 1 2 270.398 1.579 20 30 CDEDLO CCC[N@@H+](CC1(C#N)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000450265193 362807212 /nfs/dbraw/zinc/80/72/12/362807212.db2.gz WWIVJUJSSPRHBK-LBPRGKRZSA-N 1 2 270.398 1.579 20 30 CDEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCOCC3(CCC3)C2)cc1 ZINC000612746528 347268716 /nfs/dbraw/zinc/26/87/16/347268716.db2.gz SDNBRQSNHWNMOT-OAHLLOKOSA-N 1 2 299.374 1.587 20 30 CDEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCOCC3(CCC3)C2)cc1 ZINC000612746528 347268719 /nfs/dbraw/zinc/26/87/19/347268719.db2.gz SDNBRQSNHWNMOT-OAHLLOKOSA-N 1 2 299.374 1.587 20 30 CDEDLO C=C[C@](C)(O)C(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000614001308 347959875 /nfs/dbraw/zinc/95/98/75/347959875.db2.gz UJROTIJZTJHICH-HNNXBMFYSA-N 1 2 279.384 1.621 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000614407459 348102186 /nfs/dbraw/zinc/10/21/86/348102186.db2.gz RIFWRVCIRFCRCZ-UHFFFAOYSA-N 1 2 271.364 1.919 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000614407459 348102190 /nfs/dbraw/zinc/10/21/90/348102190.db2.gz RIFWRVCIRFCRCZ-UHFFFAOYSA-N 1 2 271.364 1.919 20 30 CDEDLO C[C@]1(C#N)CCCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000614491630 348126706 /nfs/dbraw/zinc/12/67/06/348126706.db2.gz JFPYVDWHDJXILX-IUODEOHRSA-N 1 2 287.367 1.533 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000619716560 348180880 /nfs/dbraw/zinc/18/08/80/348180880.db2.gz UQKICXLFMVALRI-HNNXBMFYSA-N 1 2 299.374 1.798 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000619716560 348180883 /nfs/dbraw/zinc/18/08/83/348180883.db2.gz UQKICXLFMVALRI-HNNXBMFYSA-N 1 2 299.374 1.798 20 30 CDEDLO COc1ccccc1SC[C@H](O)C[N@H+](C)CCC#N ZINC000414123395 362921241 /nfs/dbraw/zinc/92/12/41/362921241.db2.gz BFLFEGMPRPKNEI-GFCCVEGCSA-N 1 2 280.393 1.994 20 30 CDEDLO COc1ccccc1SC[C@H](O)C[N@@H+](C)CCC#N ZINC000414123395 362921247 /nfs/dbraw/zinc/92/12/47/362921247.db2.gz BFLFEGMPRPKNEI-GFCCVEGCSA-N 1 2 280.393 1.994 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(F)c(F)c1 ZINC000414149089 362924244 /nfs/dbraw/zinc/92/42/44/362924244.db2.gz UMUNLKCDCRDRSH-JTQLQIEISA-N 1 2 270.279 1.550 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(F)c(F)c1 ZINC000414149089 362924246 /nfs/dbraw/zinc/92/42/46/362924246.db2.gz UMUNLKCDCRDRSH-JTQLQIEISA-N 1 2 270.279 1.550 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1c(F)cccc1F ZINC000414154069 362925428 /nfs/dbraw/zinc/92/54/28/362925428.db2.gz YYDLHBQPKZYCGE-SNVBAGLBSA-N 1 2 270.279 1.550 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1c(F)cccc1F ZINC000414154069 362925438 /nfs/dbraw/zinc/92/54/38/362925438.db2.gz YYDLHBQPKZYCGE-SNVBAGLBSA-N 1 2 270.279 1.550 20 30 CDEDLO C=CCNC(=O)C[N@H+](CC=C)Cc1cccc(C#N)c1 ZINC000063300749 348921283 /nfs/dbraw/zinc/92/12/83/348921283.db2.gz HNSUJXXXXAFXMY-UHFFFAOYSA-N 1 2 269.348 1.848 20 30 CDEDLO C=CCNC(=O)C[N@@H+](CC=C)Cc1cccc(C#N)c1 ZINC000063300749 348921287 /nfs/dbraw/zinc/92/12/87/348921287.db2.gz HNSUJXXXXAFXMY-UHFFFAOYSA-N 1 2 269.348 1.848 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCC[C@H](c3nnc(N)o3)C2)c1 ZINC000602894125 350161229 /nfs/dbraw/zinc/16/12/29/350161229.db2.gz ZBPMEQWWHMGWJS-ZDUSSCGKSA-N 1 2 283.335 1.733 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H](c3nnc(N)o3)C2)c1 ZINC000602894125 350161233 /nfs/dbraw/zinc/16/12/33/350161233.db2.gz ZBPMEQWWHMGWJS-ZDUSSCGKSA-N 1 2 283.335 1.733 20 30 CDEDLO CC(C)[C@H](C#N)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000264771853 363147808 /nfs/dbraw/zinc/14/78/08/363147808.db2.gz OGAFCEQWGOWZGM-LBPRGKRZSA-N 1 2 269.308 1.545 20 30 CDEDLO COCC#CC[N@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000677476726 482680073 /nfs/dbraw/zinc/68/00/73/482680073.db2.gz CQANNRFRKBGSNA-UHFFFAOYSA-N 1 2 274.364 1.824 20 30 CDEDLO COCC#CC[N@@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000677476726 482680077 /nfs/dbraw/zinc/68/00/77/482680077.db2.gz CQANNRFRKBGSNA-UHFFFAOYSA-N 1 2 274.364 1.824 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000573930983 334978254 /nfs/dbraw/zinc/97/82/54/334978254.db2.gz HFMHKZGRPKJZCA-NSHDSACASA-N 1 2 290.323 1.839 20 30 CDEDLO CN(CC#Cc1cccc(Cl)c1)CC[NH+]1CCOCC1 ZINC000158225053 188364601 /nfs/dbraw/zinc/36/46/01/188364601.db2.gz CBHOJFZQXVZALR-UHFFFAOYSA-N 1 2 292.810 1.956 20 30 CDEDLO Cc1ccn2cc(CNC(=O)[C@@]3(C#N)C[C@H]3C)[nH+]c2c1 ZINC000336248227 363228122 /nfs/dbraw/zinc/22/81/22/363228122.db2.gz YCUPFQRLBBOKLN-IAQYHMDHSA-N 1 2 268.320 1.809 20 30 CDEDLO C#CCCN1CC[NH+]([C@H](C)C(=O)N(CC)CC(=C)C)CC1 ZINC000271884537 191388236 /nfs/dbraw/zinc/38/82/36/191388236.db2.gz AGYNRDSUMBPMHE-MRXNPFEDSA-N 1 2 291.439 1.440 20 30 CDEDLO N#Cc1ccc(C[N@H+]2C[C@H](F)C[C@H]2CO)c(F)c1 ZINC000336406257 356167539 /nfs/dbraw/zinc/16/75/39/356167539.db2.gz XWVQREHUOHLGIL-NEPJUHHUSA-N 1 2 252.264 1.602 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)c(F)c1 ZINC000336406257 356167542 /nfs/dbraw/zinc/16/75/42/356167542.db2.gz XWVQREHUOHLGIL-NEPJUHHUSA-N 1 2 252.264 1.602 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)Nc1ccc(C#N)c(F)c1 ZINC000336475451 356189430 /nfs/dbraw/zinc/18/94/30/356189430.db2.gz ZONYOERFHNCISZ-UHFFFAOYSA-N 1 2 273.271 1.753 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1nnc(C)s1 ZINC000273578992 192212303 /nfs/dbraw/zinc/21/23/03/192212303.db2.gz GOCIOVWQEMYOLX-YUMQZZPRSA-N 1 2 254.359 1.188 20 30 CDEDLO Cc1[nH][nH]c(=NC(=O)c2cccc(-n3cc[nH+]c3)c2)c1C#N ZINC000431685492 356741671 /nfs/dbraw/zinc/74/16/71/356741671.db2.gz JYJSQPICSUXQQH-UHFFFAOYSA-N 1 2 292.302 1.450 20 30 CDEDLO C=CCCOCCNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000299087840 356970472 /nfs/dbraw/zinc/97/04/72/356970472.db2.gz WBNNDMVZRBRSIO-LLVKDONJSA-N 1 2 266.345 1.274 20 30 CDEDLO C=CCCOCCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000299087840 356970474 /nfs/dbraw/zinc/97/04/74/356970474.db2.gz WBNNDMVZRBRSIO-LLVKDONJSA-N 1 2 266.345 1.274 20 30 CDEDLO C[C@H](Nc1cccnc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000290641511 357240432 /nfs/dbraw/zinc/24/04/32/357240432.db2.gz NQFOTRFGHFMHMV-RYUDHWBXSA-N 1 2 260.341 1.474 20 30 CDEDLO COCCOc1ccc(C#N)cc1NCc1c[nH+]cn1C ZINC000181913481 357389919 /nfs/dbraw/zinc/38/99/19/357389919.db2.gz CVSIPULTIVBKRI-UHFFFAOYSA-N 1 2 286.335 1.929 20 30 CDEDLO N#Cc1c2c(cnc1NCCn1cc[nH+]c1)CCC2 ZINC000566136116 357426093 /nfs/dbraw/zinc/42/60/93/357426093.db2.gz NZSZOHCVLMJKKR-UHFFFAOYSA-N 1 2 253.309 1.172 20 30 CDEDLO Cc1nc(C[NH+]2CCN(c3ccnc(C#N)c3)CC2)oc1C ZINC000283939148 357621169 /nfs/dbraw/zinc/62/11/69/357621169.db2.gz XXTNRAFTDYVTHX-UHFFFAOYSA-N 1 2 297.362 1.880 20 30 CDEDLO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000335561062 357925999 /nfs/dbraw/zinc/92/59/99/357925999.db2.gz IKABTZFVWLPZSD-AWEZNQCLSA-N 1 2 277.755 1.922 20 30 CDEDLO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000335561062 357926001 /nfs/dbraw/zinc/92/60/01/357926001.db2.gz IKABTZFVWLPZSD-AWEZNQCLSA-N 1 2 277.755 1.922 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@](F)(CO)C2)c(F)c1 ZINC000286821659 358011976 /nfs/dbraw/zinc/01/19/76/358011976.db2.gz KMQFDGLDEFYKSC-CQSZACIVSA-N 1 2 266.291 1.994 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@](F)(CO)C2)c(F)c1 ZINC000286821659 358011979 /nfs/dbraw/zinc/01/19/79/358011979.db2.gz KMQFDGLDEFYKSC-CQSZACIVSA-N 1 2 266.291 1.994 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000189455952 358013058 /nfs/dbraw/zinc/01/30/58/358013058.db2.gz CXRWGODMCXXKEQ-SMDDNHRTSA-N 1 2 278.327 1.933 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000189455952 358013061 /nfs/dbraw/zinc/01/30/61/358013061.db2.gz CXRWGODMCXXKEQ-SMDDNHRTSA-N 1 2 278.327 1.933 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000131703392 358339689 /nfs/dbraw/zinc/33/96/89/358339689.db2.gz YMKKOTVVHPPYGT-LBPRGKRZSA-N 1 2 295.408 1.671 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000131703392 358339690 /nfs/dbraw/zinc/33/96/90/358339690.db2.gz YMKKOTVVHPPYGT-LBPRGKRZSA-N 1 2 295.408 1.671 20 30 CDEDLO COc1ccc(C[NH2+]C[C@H](C)C#N)c(OC)c1OC ZINC000054179259 358702058 /nfs/dbraw/zinc/70/20/58/358702058.db2.gz ZWJQHSYJGVSBMP-SNVBAGLBSA-N 1 2 264.325 1.962 20 30 CDEDLO C[N@H+](CCS(C)(=O)=O)Cc1ccc(F)c(C#N)c1 ZINC000119863680 359033222 /nfs/dbraw/zinc/03/32/22/359033222.db2.gz JIEWOSXZBJAXKA-UHFFFAOYSA-N 1 2 270.329 1.174 20 30 CDEDLO C[N@@H+](CCS(C)(=O)=O)Cc1ccc(F)c(C#N)c1 ZINC000119863680 359033227 /nfs/dbraw/zinc/03/32/27/359033227.db2.gz JIEWOSXZBJAXKA-UHFFFAOYSA-N 1 2 270.329 1.174 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)Nc1cc[nH+]cc1O ZINC000338182803 359095884 /nfs/dbraw/zinc/09/58/84/359095884.db2.gz LVLWKYGRCBFMEX-UHFFFAOYSA-N 1 2 253.261 1.642 20 30 CDEDLO CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000159439574 359136335 /nfs/dbraw/zinc/13/63/35/359136335.db2.gz ROBWLBOOIOBGEY-HNNXBMFYSA-N 1 2 294.358 1.976 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(Cl)cn1 ZINC000266934593 359346795 /nfs/dbraw/zinc/34/67/95/359346795.db2.gz PJARPXSPXUJPND-UHFFFAOYSA-N 1 2 251.717 1.629 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(Cl)cn1 ZINC000266934593 359346796 /nfs/dbraw/zinc/34/67/96/359346796.db2.gz PJARPXSPXUJPND-UHFFFAOYSA-N 1 2 251.717 1.629 20 30 CDEDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)o1 ZINC000544512232 359430657 /nfs/dbraw/zinc/43/06/57/359430657.db2.gz HVXYWAPZSAGFIX-VHSXEESVSA-N 1 2 299.334 1.928 20 30 CDEDLO C=C(Br)C[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274916871 359524978 /nfs/dbraw/zinc/52/49/78/359524978.db2.gz XWBUQGHJXYIBHT-UHFFFAOYSA-N 1 2 270.130 1.037 20 30 CDEDLO C=C(Br)C[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274916871 359524983 /nfs/dbraw/zinc/52/49/83/359524983.db2.gz XWBUQGHJXYIBHT-UHFFFAOYSA-N 1 2 270.130 1.037 20 30 CDEDLO C#C[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000274851298 359521775 /nfs/dbraw/zinc/52/17/75/359521775.db2.gz VWCUAYRWQRURPD-AWEZNQCLSA-N 1 2 296.374 1.407 20 30 CDEDLO C#CC[N@@H+](CCOc1cccc(S(C)(=O)=O)c1)C1CC1 ZINC000274185397 359491304 /nfs/dbraw/zinc/49/13/04/359491304.db2.gz PLTMMRCMLAMNPP-UHFFFAOYSA-N 1 2 293.388 1.567 20 30 CDEDLO C#CC[N@H+](CCOc1cccc(S(C)(=O)=O)c1)C1CC1 ZINC000274185397 359491306 /nfs/dbraw/zinc/49/13/06/359491306.db2.gz PLTMMRCMLAMNPP-UHFFFAOYSA-N 1 2 293.388 1.567 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)C1=O ZINC000337184352 360028962 /nfs/dbraw/zinc/02/89/62/360028962.db2.gz NSHYZFJVJQFZIY-JQWIXIFHSA-N 1 2 292.301 1.163 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@](O)(C(F)(F)F)C2)C1=O ZINC000337184352 360028970 /nfs/dbraw/zinc/02/89/70/360028970.db2.gz NSHYZFJVJQFZIY-JQWIXIFHSA-N 1 2 292.301 1.163 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H]1CCCC12CCOCC2)C(=O)OC ZINC000337359763 360087095 /nfs/dbraw/zinc/08/70/95/360087095.db2.gz CNBFLLPXLFQKFM-UONOGXRCSA-N 1 2 297.395 1.670 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+](CC=C)Cc1ccccc1F ZINC000298295948 200387323 /nfs/dbraw/zinc/38/73/23/200387323.db2.gz XVKBAVHEDYTEFS-ZDUSSCGKSA-N 1 2 274.339 1.952 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+](CC=C)Cc1ccccc1F ZINC000298295948 200387325 /nfs/dbraw/zinc/38/73/25/200387325.db2.gz XVKBAVHEDYTEFS-ZDUSSCGKSA-N 1 2 274.339 1.952 20 30 CDEDLO CCc1ncsc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000515352875 360481361 /nfs/dbraw/zinc/48/13/61/360481361.db2.gz RSZSJPDBULDSEW-GFCCVEGCSA-N 1 2 266.370 1.279 20 30 CDEDLO CC[N@H+](CCC#N)Cc1cnc(N2CCOCC2)s1 ZINC000127600621 360642496 /nfs/dbraw/zinc/64/24/96/360642496.db2.gz QRCUOIOLGZHPOM-UHFFFAOYSA-N 1 2 280.397 1.715 20 30 CDEDLO CC[N@@H+](CCC#N)Cc1cnc(N2CCOCC2)s1 ZINC000127600621 360642505 /nfs/dbraw/zinc/64/25/05/360642505.db2.gz QRCUOIOLGZHPOM-UHFFFAOYSA-N 1 2 280.397 1.715 20 30 CDEDLO Cc1[nH]c(C(=O)NCC#Cc2cccc(F)c2)c[nH+]1 ZINC000338153975 360722881 /nfs/dbraw/zinc/72/28/81/360722881.db2.gz GETJPCIXDNAVPW-UHFFFAOYSA-N 1 2 257.268 1.639 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338290573 360816304 /nfs/dbraw/zinc/81/63/04/360816304.db2.gz PUZVDPGLOQGSNH-ZIAGYGMSSA-N 1 2 296.411 1.195 20 30 CDEDLO CC#CC[NH+]1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000157591641 360916671 /nfs/dbraw/zinc/91/66/71/360916671.db2.gz NCJLYULAEYBESN-OAHLLOKOSA-N 1 2 277.412 1.028 20 30 CDEDLO CC#CCN1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000157591641 360916676 /nfs/dbraw/zinc/91/66/76/360916676.db2.gz NCJLYULAEYBESN-OAHLLOKOSA-N 1 2 277.412 1.028 20 30 CDEDLO C=CCOCC(=O)N(Cc1[nH]cc[nH+]1)c1cncc(C)c1 ZINC000583567663 361005686 /nfs/dbraw/zinc/00/56/86/361005686.db2.gz HHCPAMVHINNFNN-UHFFFAOYSA-N 1 2 286.335 1.849 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)NCC1(CC#N)CC1 ZINC000431311806 360985598 /nfs/dbraw/zinc/98/55/98/360985598.db2.gz ZZCOIOJMAKIFMF-UHFFFAOYSA-N 1 2 274.324 1.583 20 30 CDEDLO CN(CC(F)(F)F)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433310577 361233120 /nfs/dbraw/zinc/23/31/20/361233120.db2.gz IGFFHYJJMMBWCC-UHFFFAOYSA-N 1 2 265.279 1.489 20 30 CDEDLO CN(CC(F)(F)F)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433310577 361233121 /nfs/dbraw/zinc/23/31/21/361233121.db2.gz IGFFHYJJMMBWCC-UHFFFAOYSA-N 1 2 265.279 1.489 20 30 CDEDLO CCOC[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)CCO1 ZINC000528719706 361238667 /nfs/dbraw/zinc/23/86/67/361238667.db2.gz ADDPMPFYEWQJLD-INIZCTEOSA-N 1 2 277.339 1.915 20 30 CDEDLO CCOC[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)CCO1 ZINC000528719706 361238669 /nfs/dbraw/zinc/23/86/69/361238669.db2.gz ADDPMPFYEWQJLD-INIZCTEOSA-N 1 2 277.339 1.915 20 30 CDEDLO C=CC[C@H](CO)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000433767118 361267212 /nfs/dbraw/zinc/26/72/12/361267212.db2.gz UGXZXBBXVOGRPD-LBPRGKRZSA-N 1 2 262.357 1.673 20 30 CDEDLO C=CC[C@H](CO)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000433767118 361267215 /nfs/dbraw/zinc/26/72/15/361267215.db2.gz UGXZXBBXVOGRPD-LBPRGKRZSA-N 1 2 262.357 1.673 20 30 CDEDLO C=CC[C@@H](CO)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000433767117 361267252 /nfs/dbraw/zinc/26/72/52/361267252.db2.gz UGXZXBBXVOGRPD-GFCCVEGCSA-N 1 2 262.357 1.673 20 30 CDEDLO C=CC[C@@H](CO)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000433767117 361267254 /nfs/dbraw/zinc/26/72/54/361267254.db2.gz UGXZXBBXVOGRPD-GFCCVEGCSA-N 1 2 262.357 1.673 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@H](C(C)C)C1 ZINC000351147024 361606925 /nfs/dbraw/zinc/60/69/25/361606925.db2.gz QHMZOKKECUEHJA-GJZGRUSLSA-N 1 2 280.412 1.932 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000351147024 361606926 /nfs/dbraw/zinc/60/69/26/361606926.db2.gz QHMZOKKECUEHJA-GJZGRUSLSA-N 1 2 280.412 1.932 20 30 CDEDLO N#Cc1c(NCCCn2cc[nH+]c2)nc2ccccn12 ZINC000302091545 201339853 /nfs/dbraw/zinc/33/98/53/201339853.db2.gz MHACALJAZULNCX-UHFFFAOYSA-N 1 2 266.308 1.905 20 30 CDEDLO N#Cc1cnn2cc(C[N@@H+]3CCO[C@H]4CCC[C@H]43)cnc12 ZINC000581608350 364011201 /nfs/dbraw/zinc/01/12/01/364011201.db2.gz YJINMUOGKBWZSA-KGLIPLIRSA-N 1 2 283.335 1.354 20 30 CDEDLO N#Cc1cnn2cc(C[N@H+]3CCO[C@H]4CCC[C@H]43)cnc12 ZINC000581608350 364011204 /nfs/dbraw/zinc/01/12/04/364011204.db2.gz YJINMUOGKBWZSA-KGLIPLIRSA-N 1 2 283.335 1.354 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000249583634 364925777 /nfs/dbraw/zinc/92/57/77/364925777.db2.gz SCHOLEISJGIXEY-BXUZGUMPSA-N 1 2 287.363 1.653 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000249583634 364925785 /nfs/dbraw/zinc/92/57/85/364925785.db2.gz SCHOLEISJGIXEY-BXUZGUMPSA-N 1 2 287.363 1.653 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccncc2C)nn1 ZINC000641142678 365101256 /nfs/dbraw/zinc/10/12/56/365101256.db2.gz CIOFITZVKMRIFF-UHFFFAOYSA-N 1 2 255.325 1.143 20 30 CDEDLO C=CC[N@@H+](Cc1cccc(F)c1N)[C@H]1CCS(=O)(=O)C1 ZINC000637962600 367320155 /nfs/dbraw/zinc/32/01/55/367320155.db2.gz NZMLDOWGSJGOBO-LBPRGKRZSA-N 1 2 298.383 1.583 20 30 CDEDLO C=CC[N@H+](Cc1cccc(F)c1N)[C@H]1CCS(=O)(=O)C1 ZINC000637962600 367320157 /nfs/dbraw/zinc/32/01/57/367320157.db2.gz NZMLDOWGSJGOBO-LBPRGKRZSA-N 1 2 298.383 1.583 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@]1(C#N)CCOC1 ZINC000358455665 367696014 /nfs/dbraw/zinc/69/60/14/367696014.db2.gz XGLNFSMEBJMLHQ-HNNXBMFYSA-N 1 2 284.319 1.144 20 30 CDEDLO C=CCNc1ncc(C(=O)NCc2[nH]cc[nH+]2)s1 ZINC000128876160 368525307 /nfs/dbraw/zinc/52/53/07/368525307.db2.gz GPHNBGRVPLKKTL-UHFFFAOYSA-N 1 2 263.326 1.394 20 30 CDEDLO CC#CCCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000361231179 368702529 /nfs/dbraw/zinc/70/25/29/368702529.db2.gz SAKPXDSRSUQGGV-UHFFFAOYSA-N 1 2 256.309 1.547 20 30 CDEDLO CC(C)(C#N)CCN(CCC#N)CC[NH+]1CCOCC1 ZINC000131749048 369151009 /nfs/dbraw/zinc/15/10/09/369151009.db2.gz FNDZIIWUGGKFMS-UHFFFAOYSA-N 1 2 278.400 1.474 20 30 CDEDLO C=C(CC)Cn1cc(C[NH+]2CCC(OC)CC2)nn1 ZINC000630590781 369345106 /nfs/dbraw/zinc/34/51/06/369345106.db2.gz MSLGMHPKVDBCIL-UHFFFAOYSA-N 1 2 264.373 1.855 20 30 CDEDLO COCC[NH+](CCOC)CC(=O)Nc1cccc(C#N)c1 ZINC000026227774 369514746 /nfs/dbraw/zinc/51/47/46/369514746.db2.gz FQKYZFUKNOXQHF-UHFFFAOYSA-N 1 2 291.351 1.092 20 30 CDEDLO C#CC[N@@H+](C[C@@H](O)CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000490742494 261198397 /nfs/dbraw/zinc/19/83/97/261198397.db2.gz YHXNAXBYYZDTAR-CABCVRRESA-N 1 2 299.436 1.050 20 30 CDEDLO C#CC[N@H+](C[C@@H](O)CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000490742494 261198398 /nfs/dbraw/zinc/19/83/98/261198398.db2.gz YHXNAXBYYZDTAR-CABCVRRESA-N 1 2 299.436 1.050 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2c2ncccn2)C1=O ZINC000639873789 370396344 /nfs/dbraw/zinc/39/63/44/370396344.db2.gz VJGYYAMINHCRED-QWHCGFSZSA-N 1 2 272.352 1.400 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2c2ncccn2)C1=O ZINC000639873789 370396349 /nfs/dbraw/zinc/39/63/49/370396349.db2.gz VJGYYAMINHCRED-QWHCGFSZSA-N 1 2 272.352 1.400 20 30 CDEDLO C[C@@]1(F)CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000347353202 370631744 /nfs/dbraw/zinc/63/17/44/370631744.db2.gz LKHYDCDCSIIXRY-OAHLLOKOSA-N 1 2 275.327 1.608 20 30 CDEDLO C[C@@]1(F)CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000347353202 370631749 /nfs/dbraw/zinc/63/17/49/370631749.db2.gz LKHYDCDCSIIXRY-OAHLLOKOSA-N 1 2 275.327 1.608 20 30 CDEDLO C=CCOCC[N@@H+]1CCNC(=O)[C@@H]1c1cccc(C)c1 ZINC000574054749 371696539 /nfs/dbraw/zinc/69/65/39/371696539.db2.gz XPJLSXDMMNMVPV-HNNXBMFYSA-N 1 2 274.364 1.671 20 30 CDEDLO C=CCOCC[N@H+]1CCNC(=O)[C@@H]1c1cccc(C)c1 ZINC000574054749 371696547 /nfs/dbraw/zinc/69/65/47/371696547.db2.gz XPJLSXDMMNMVPV-HNNXBMFYSA-N 1 2 274.364 1.671 20 30 CDEDLO CCOC(=O)C[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000050066732 372312906 /nfs/dbraw/zinc/31/29/06/372312906.db2.gz XUPLEFDUZBXPCC-UHFFFAOYSA-N 1 2 262.309 1.432 20 30 CDEDLO CCOC(=O)C[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000050066732 372312910 /nfs/dbraw/zinc/31/29/10/372312910.db2.gz XUPLEFDUZBXPCC-UHFFFAOYSA-N 1 2 262.309 1.432 20 30 CDEDLO CC1(C)C[C@@]1(C#N)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000578945767 372549217 /nfs/dbraw/zinc/54/92/17/372549217.db2.gz TZMATNYDSYBYOL-AWEZNQCLSA-N 1 2 282.307 1.084 20 30 CDEDLO COc1ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc1OC ZINC000579686546 372635537 /nfs/dbraw/zinc/63/55/37/372635537.db2.gz YLKBWWDNSRDUCF-GFCCVEGCSA-N 1 2 294.351 1.289 20 30 CDEDLO COc1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc1OC ZINC000579686546 372635539 /nfs/dbraw/zinc/63/55/39/372635539.db2.gz YLKBWWDNSRDUCF-GFCCVEGCSA-N 1 2 294.351 1.289 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1c[nH+]ccc1OC ZINC000579922466 372648779 /nfs/dbraw/zinc/64/87/79/372648779.db2.gz JOAJAECVKAWMFC-OLZOCXBDSA-N 1 2 291.351 1.623 20 30 CDEDLO Cc1cc(N2CC[C@@H](c3cnn(C)c3)C2)c(C#N)c[nH+]1 ZINC000333490101 205369071 /nfs/dbraw/zinc/36/90/71/205369071.db2.gz QUEAXEZYTLVDEJ-GFCCVEGCSA-N 1 2 267.336 1.989 20 30 CDEDLO CC(C)CCN(CCC#N)CC[N@@H+]1CCO[C@H](C)C1 ZINC000191526999 373514544 /nfs/dbraw/zinc/51/45/44/373514544.db2.gz AJRQALCPSBOPII-OAHLLOKOSA-N 1 2 267.417 1.969 20 30 CDEDLO CC(C)CCN(CCC#N)CC[N@H+]1CCO[C@H](C)C1 ZINC000191526999 373514550 /nfs/dbraw/zinc/51/45/50/373514550.db2.gz AJRQALCPSBOPII-OAHLLOKOSA-N 1 2 267.417 1.969 20 30 CDEDLO C=CCNC(=O)C[NH2+]Cc1nccn1-c1ccccc1 ZINC000191567744 373519834 /nfs/dbraw/zinc/51/98/34/373519834.db2.gz RDUKJSUNVXEMOL-UHFFFAOYSA-N 1 2 270.336 1.264 20 30 CDEDLO COc1cc(C[NH2+][C@H](C(N)=O)c2ccccc2)ccc1C#N ZINC000357283002 373903203 /nfs/dbraw/zinc/90/32/03/373903203.db2.gz LKAWXTYLZGBYTO-INIZCTEOSA-N 1 2 295.342 1.883 20 30 CDEDLO Cc1[nH]nc(NC(=O)Cn2c(C)[nH+]c3ccccc32)c1C#N ZINC000357249770 373901083 /nfs/dbraw/zinc/90/10/83/373901083.db2.gz YCAJWHNITJXNSB-UHFFFAOYSA-N 1 2 294.318 1.887 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cn[nH]c3)CC2)cc1 ZINC000298742869 373865044 /nfs/dbraw/zinc/86/50/44/373865044.db2.gz QMDOSFWMJRXLBS-UHFFFAOYSA-N 1 2 295.346 1.239 20 30 CDEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCc1[nH]cc[nH+]1 ZINC000357571004 373920559 /nfs/dbraw/zinc/92/05/59/373920559.db2.gz UKYROFLTKBBPLT-UHFFFAOYSA-N 1 2 299.334 1.248 20 30 CDEDLO Cc1noc(C)c1C[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC000301849486 373925912 /nfs/dbraw/zinc/92/59/12/373925912.db2.gz WBKUIAICDCRRAC-UHFFFAOYSA-N 1 2 298.350 1.275 20 30 CDEDLO Cn1ncc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000289541106 197395534 /nfs/dbraw/zinc/39/55/34/197395534.db2.gz CNGMQZVGFREHKX-UHFFFAOYSA-N 1 2 296.378 1.399 20 30 CDEDLO Cn1ncc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000289541106 197395536 /nfs/dbraw/zinc/39/55/36/197395536.db2.gz CNGMQZVGFREHKX-UHFFFAOYSA-N 1 2 296.378 1.399 20 30 CDEDLO C[C@H](C(=O)NCCc1[nH]cc[nH+]1)c1cccc(C#N)c1 ZINC000360199689 374005212 /nfs/dbraw/zinc/00/52/12/374005212.db2.gz RWDQUUVMLBDMOT-NSHDSACASA-N 1 2 268.320 1.744 20 30 CDEDLO CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000361362569 374039722 /nfs/dbraw/zinc/03/97/22/374039722.db2.gz TWLDDIVVOGUTTA-ZYHUDNBSSA-N 1 2 291.351 1.816 20 30 CDEDLO CO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000361362569 374039728 /nfs/dbraw/zinc/03/97/28/374039728.db2.gz TWLDDIVVOGUTTA-ZYHUDNBSSA-N 1 2 291.351 1.816 20 30 CDEDLO Cn1c(CCn2cnc(C#N)c2C#N)[nH+]c2ccccc21 ZINC000361780788 374050699 /nfs/dbraw/zinc/05/06/99/374050699.db2.gz JMXGZBQJRKCCDD-UHFFFAOYSA-N 1 2 276.303 1.756 20 30 CDEDLO CC(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000016444301 374247924 /nfs/dbraw/zinc/24/79/24/374247924.db2.gz MNDKVQSJHNNMFK-UHFFFAOYSA-N 1 2 257.337 1.612 20 30 CDEDLO CC(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000016444301 374247930 /nfs/dbraw/zinc/24/79/30/374247930.db2.gz MNDKVQSJHNNMFK-UHFFFAOYSA-N 1 2 257.337 1.612 20 30 CDEDLO CC(C)(C)NC(=O)C[NH2+]Cc1nc(C#N)cs1 ZINC000352826065 374364763 /nfs/dbraw/zinc/36/47/63/374364763.db2.gz VONWKEYRTPVEPY-UHFFFAOYSA-N 1 2 252.343 1.019 20 30 CDEDLO C[C@@H]1C[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H](C)S1 ZINC000532970127 374572979 /nfs/dbraw/zinc/57/29/79/374572979.db2.gz ZXNUMSOTJXHNLI-JTNHKYCSSA-N 1 2 289.404 1.910 20 30 CDEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCc3n[nH]nc3C2)c1 ZINC000429308674 374578708 /nfs/dbraw/zinc/57/87/08/374578708.db2.gz LWHDJAOUHCQGGQ-UHFFFAOYSA-N 1 2 296.334 1.063 20 30 CDEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCc3n[nH]nc3C2)c1 ZINC000429308674 374578717 /nfs/dbraw/zinc/57/87/17/374578717.db2.gz LWHDJAOUHCQGGQ-UHFFFAOYSA-N 1 2 296.334 1.063 20 30 CDEDLO CCN1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328615684 374719839 /nfs/dbraw/zinc/71/98/39/374719839.db2.gz AZYSGQZBPKSNDJ-CYBMUJFWSA-N 1 2 298.350 1.128 20 30 CDEDLO CC(C)(C(=O)N[C@H]1CCCOC1)[NH+]1CCOCC1 ZINC000328661558 374731878 /nfs/dbraw/zinc/73/18/78/374731878.db2.gz AGDMBLBQUYCIIK-NSHDSACASA-N 1 2 256.346 1.233 20 30 CDEDLO CCOCC[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000093317529 374741307 /nfs/dbraw/zinc/74/13/07/374741307.db2.gz VZCHNXHLXRDVGW-UHFFFAOYSA-N 1 2 267.354 1.527 20 30 CDEDLO CCOCC[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000093317529 374741315 /nfs/dbraw/zinc/74/13/15/374741315.db2.gz VZCHNXHLXRDVGW-UHFFFAOYSA-N 1 2 267.354 1.527 20 30 CDEDLO CN(C)c1ccc(CNC(=O)CSCC#N)c[nH+]1 ZINC000042047095 374795800 /nfs/dbraw/zinc/79/58/00/374795800.db2.gz NTEMDEYODSSNQZ-UHFFFAOYSA-N 1 2 264.354 1.021 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)CC[S@@]1=O ZINC000277031689 374766154 /nfs/dbraw/zinc/76/61/54/374766154.db2.gz BBWITRPZTLMLQK-XIKOKIGWSA-N 1 2 262.378 1.901 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)CC[S@@]1=O ZINC000277031689 374766163 /nfs/dbraw/zinc/76/61/63/374766163.db2.gz BBWITRPZTLMLQK-XIKOKIGWSA-N 1 2 262.378 1.901 20 30 CDEDLO Cc1onc(CC(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c1C#N ZINC000331454637 374957580 /nfs/dbraw/zinc/95/75/80/374957580.db2.gz AFWPXARQGQDKEA-GFCCVEGCSA-N 1 2 285.307 1.484 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ncnn1C ZINC000426622411 247045143 /nfs/dbraw/zinc/04/51/43/247045143.db2.gz FYZTVOUFVBIDAY-LLVKDONJSA-N 1 2 255.325 1.880 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ncnn1C ZINC000426622411 247045148 /nfs/dbraw/zinc/04/51/48/247045148.db2.gz FYZTVOUFVBIDAY-LLVKDONJSA-N 1 2 255.325 1.880 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000135023187 375672811 /nfs/dbraw/zinc/67/28/11/375672811.db2.gz SCLBMKAECZQPBV-GZBFAFLISA-N 1 2 268.401 1.814 20 30 CDEDLO C#CCCOc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000123476577 375839664 /nfs/dbraw/zinc/83/96/64/375839664.db2.gz XOXAEMUDFXTBRU-ZDUSSCGKSA-N 1 2 272.348 1.409 20 30 CDEDLO C#CCCOc1ccc(C[N@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000123476577 375839667 /nfs/dbraw/zinc/83/96/67/375839667.db2.gz XOXAEMUDFXTBRU-ZDUSSCGKSA-N 1 2 272.348 1.409 20 30 CDEDLO CC[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CCO1 ZINC000328617092 375896588 /nfs/dbraw/zinc/89/65/88/375896588.db2.gz TUYUXVHICGTESR-QWHCGFSZSA-N 1 2 292.383 1.785 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CCCCNC1=O ZINC000328839853 375981114 /nfs/dbraw/zinc/98/11/14/375981114.db2.gz NYRRIRMBYLYETG-NSHDSACASA-N 1 2 264.329 1.818 20 30 CDEDLO Cn1ncc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1C#N ZINC000354595532 376839302 /nfs/dbraw/zinc/83/93/02/376839302.db2.gz LZZHCYAKPKMGJW-UHFFFAOYSA-N 1 2 292.302 1.730 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1cn[nH]c1 ZINC000674753532 483097073 /nfs/dbraw/zinc/09/70/73/483097073.db2.gz WIGDIBMPGPHLJO-UHFFFAOYSA-N 1 2 250.346 1.266 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1cn[nH]c1 ZINC000674753532 483097080 /nfs/dbraw/zinc/09/70/80/483097080.db2.gz WIGDIBMPGPHLJO-UHFFFAOYSA-N 1 2 250.346 1.266 20 30 CDEDLO Cn1cc(C[NH+]2CCN(c3cnccn3)CC2)cc1C#N ZINC000191237285 378001501 /nfs/dbraw/zinc/00/15/01/378001501.db2.gz VMLWSIBLSZSGMF-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO C#CCCOc1ccc(C[N@@H+]2CCO[C@@H](COC)C2)cc1 ZINC000093528944 378084714 /nfs/dbraw/zinc/08/47/14/378084714.db2.gz OMMVCPKKFFTHNC-QGZVFWFLSA-N 1 2 289.375 1.936 20 30 CDEDLO C#CCCOc1ccc(C[N@H+]2CCO[C@@H](COC)C2)cc1 ZINC000093528944 378084722 /nfs/dbraw/zinc/08/47/22/378084722.db2.gz OMMVCPKKFFTHNC-QGZVFWFLSA-N 1 2 289.375 1.936 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N[C@H](C)c1ccccc1OC ZINC000192237552 378175911 /nfs/dbraw/zinc/17/59/11/378175911.db2.gz VRFQHSLYOCUMSW-GFCCVEGCSA-N 1 2 260.337 1.437 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N[C@H](C)c1ccccc1OC ZINC000192237552 378175915 /nfs/dbraw/zinc/17/59/15/378175915.db2.gz VRFQHSLYOCUMSW-GFCCVEGCSA-N 1 2 260.337 1.437 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000192236989 378177745 /nfs/dbraw/zinc/17/77/45/378177745.db2.gz IFOVHKBVWGITIY-HNNXBMFYSA-N 1 2 299.399 1.914 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000192236989 378177750 /nfs/dbraw/zinc/17/77/50/378177750.db2.gz IFOVHKBVWGITIY-HNNXBMFYSA-N 1 2 299.399 1.914 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(CC(=O)OCC)c1ccccc1 ZINC000192224495 378178505 /nfs/dbraw/zinc/17/85/05/378178505.db2.gz OMQZVBFTURACNJ-UHFFFAOYSA-N 1 2 288.347 1.148 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N(CC(=O)OCC)c1ccccc1 ZINC000192224495 378178514 /nfs/dbraw/zinc/17/85/14/378178514.db2.gz OMQZVBFTURACNJ-UHFFFAOYSA-N 1 2 288.347 1.148 20 30 CDEDLO CC(C)[N@@H+](CC#Cc1ccc(F)cc1)CCS(C)(=O)=O ZINC000137083971 378519210 /nfs/dbraw/zinc/51/92/10/378519210.db2.gz YZUWXVNWQRLPGV-UHFFFAOYSA-N 1 2 297.395 1.932 20 30 CDEDLO CC(C)[N@H+](CC#Cc1ccc(F)cc1)CCS(C)(=O)=O ZINC000137083971 378519217 /nfs/dbraw/zinc/51/92/17/378519217.db2.gz YZUWXVNWQRLPGV-UHFFFAOYSA-N 1 2 297.395 1.932 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(O)cc(F)c2)C1=O ZINC000281313479 195192057 /nfs/dbraw/zinc/19/20/57/195192057.db2.gz QQBBFRSJAXEEQU-CQSZACIVSA-N 1 2 278.327 1.750 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(O)cc(F)c2)C1=O ZINC000281313479 195192059 /nfs/dbraw/zinc/19/20/59/195192059.db2.gz QQBBFRSJAXEEQU-CQSZACIVSA-N 1 2 278.327 1.750 20 30 CDEDLO C=C[C@@H](O)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000646959130 390319009 /nfs/dbraw/zinc/31/90/09/390319009.db2.gz UYIYOPMFHXBUHW-DGCLKSJQSA-N 1 2 280.393 1.500 20 30 CDEDLO N#C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000106047945 390527187 /nfs/dbraw/zinc/52/71/87/390527187.db2.gz SPUJFJBSAXLZCF-CQSZACIVSA-N 1 2 282.303 1.237 20 30 CDEDLO COC(=O)C[C@H]1C[N@H+](CCC(C)(C)C#N)CCO1 ZINC000152041047 390549120 /nfs/dbraw/zinc/54/91/20/390549120.db2.gz LNQNDUSIOGBLKT-NSHDSACASA-N 1 2 254.330 1.190 20 30 CDEDLO COC(=O)C[C@H]1C[N@@H+](CCC(C)(C)C#N)CCO1 ZINC000152041047 390549127 /nfs/dbraw/zinc/54/91/27/390549127.db2.gz LNQNDUSIOGBLKT-NSHDSACASA-N 1 2 254.330 1.190 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C#N)CC1 ZINC000346278517 533236416 /nfs/dbraw/zinc/23/64/16/533236416.db2.gz NEMZKUPVGFFELZ-NSHDSACASA-N 1 2 260.341 1.173 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](CO)[C@@H]2C)c(C#N)c1C ZINC000395190674 390824313 /nfs/dbraw/zinc/82/43/13/390824313.db2.gz IFHFYPLOJLHCBE-JQWIXIFHSA-N 1 2 291.351 1.409 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](CO)[C@@H]2C)c(C#N)c1C ZINC000395190674 390824316 /nfs/dbraw/zinc/82/43/16/390824316.db2.gz IFHFYPLOJLHCBE-JQWIXIFHSA-N 1 2 291.351 1.409 20 30 CDEDLO NC(CCO)=[NH+]OCc1cc(Cl)c2c(c1)OCCO2 ZINC000136071942 390940969 /nfs/dbraw/zinc/94/09/69/390940969.db2.gz CCZJMEDMSDFEMB-UHFFFAOYSA-N 1 2 286.715 1.282 20 30 CDEDLO N#Cc1cccc(NCC(=O)N2CCn3cc[nH+]c3C2)c1 ZINC000494964399 390945525 /nfs/dbraw/zinc/94/55/25/390945525.db2.gz OZHLBIBHIAEPKL-UHFFFAOYSA-N 1 2 281.319 1.209 20 30 CDEDLO O=c1[nH]c2ccccc2cc1C=NCC[NH+]1CCOCC1 ZINC000121766600 390892422 /nfs/dbraw/zinc/89/24/22/390892422.db2.gz ABFACMYLTIYLDW-SFQUDFHCSA-N 1 2 285.347 1.692 20 30 CDEDLO COc1cccc(CNC(=O)C[NH+]2CCC(C#N)CC2)c1 ZINC000142056259 390908469 /nfs/dbraw/zinc/90/84/69/390908469.db2.gz SDZMOIKLHLRBME-UHFFFAOYSA-N 1 2 287.363 1.547 20 30 CDEDLO C[C@@H]1OCC[C@]1(C)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000329558882 391013945 /nfs/dbraw/zinc/01/39/45/391013945.db2.gz LPEQNBKUVJPKPI-WFASDCNBSA-N 1 2 299.415 1.168 20 30 CDEDLO C[C@@H]1OCC[C@]1(C)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000329558882 391013948 /nfs/dbraw/zinc/01/39/48/391013948.db2.gz LPEQNBKUVJPKPI-WFASDCNBSA-N 1 2 299.415 1.168 20 30 CDEDLO C=CCOCC[N@@H+]1CCc2ccccc2[C@H]1C(=O)OC ZINC000293698268 391036310 /nfs/dbraw/zinc/03/63/10/391036310.db2.gz CNQBVBVWEINDCK-HNNXBMFYSA-N 1 2 275.348 1.961 20 30 CDEDLO C=CCOCC[N@H+]1CCc2ccccc2[C@H]1C(=O)OC ZINC000293698268 391036312 /nfs/dbraw/zinc/03/63/12/391036312.db2.gz CNQBVBVWEINDCK-HNNXBMFYSA-N 1 2 275.348 1.961 20 30 CDEDLO CN(C)C(=O)O[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000296666021 391062003 /nfs/dbraw/zinc/06/20/03/391062003.db2.gz KJORVLVKGAOARV-HNNXBMFYSA-N 1 2 290.338 1.950 20 30 CDEDLO CN(C)C(=O)O[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000296666021 391062008 /nfs/dbraw/zinc/06/20/08/391062008.db2.gz KJORVLVKGAOARV-HNNXBMFYSA-N 1 2 290.338 1.950 20 30 CDEDLO C=CCCOCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373746706 391130169 /nfs/dbraw/zinc/13/01/69/391130169.db2.gz QCUUGGXBSXTHSY-LBPRGKRZSA-N 1 2 263.341 1.154 20 30 CDEDLO N#CCC1(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000374011268 391140147 /nfs/dbraw/zinc/14/01/47/391140147.db2.gz BIZVMBYVEBLNEB-LBPRGKRZSA-N 1 2 287.367 1.993 20 30 CDEDLO Cc1ccc2[nH+]c(CN3CCO[C@H](C#N)C3)cn2c1 ZINC000176919959 391160105 /nfs/dbraw/zinc/16/01/05/391160105.db2.gz DBRMFJDHXPYHEN-CYBMUJFWSA-N 1 2 256.309 1.367 20 30 CDEDLO C#CCNC(=O)[C@@H](C)O[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000178170844 391182974 /nfs/dbraw/zinc/18/29/74/391182974.db2.gz YRASSLMEXWLFSN-SNVBAGLBSA-N 1 2 293.754 1.309 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](COC)c1ccc(C)o1 ZINC000184635777 129347237 /nfs/dbraw/zinc/34/72/37/129347237.db2.gz RBTKVJFASCXRDQ-NEPJUHHUSA-N 1 2 266.341 1.556 20 30 CDEDLO N#C[C@@H]1N(Cc2c[nH+]c[nH]2)CCC[C@@]12CCCCO2 ZINC000366149983 391225844 /nfs/dbraw/zinc/22/58/44/391225844.db2.gz ADPMWJGHFUVZLG-KBPBESRZSA-N 1 2 260.341 1.837 20 30 CDEDLO N#C[C@@H]1N(Cc2c[nH]c[nH+]2)CCC[C@@]12CCCCO2 ZINC000366149983 391225846 /nfs/dbraw/zinc/22/58/46/391225846.db2.gz ADPMWJGHFUVZLG-KBPBESRZSA-N 1 2 260.341 1.837 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000375917734 391206534 /nfs/dbraw/zinc/20/65/34/391206534.db2.gz SBUWEWWFJUGOAP-UKRRQHHQSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000375917734 391206535 /nfs/dbraw/zinc/20/65/35/391206535.db2.gz SBUWEWWFJUGOAP-UKRRQHHQSA-N 1 2 280.412 1.910 20 30 CDEDLO Cn1ncc2c1nc[nH+]c2N1CCC(F)(C#N)CC1 ZINC000343221777 391341785 /nfs/dbraw/zinc/34/17/85/391341785.db2.gz DAQBUYHWSCMJRN-UHFFFAOYSA-N 1 2 260.276 1.195 20 30 CDEDLO N#CC1CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000328612305 391345323 /nfs/dbraw/zinc/34/53/23/391345323.db2.gz PFSAKFKLASLSIG-CYBMUJFWSA-N 1 2 287.367 1.910 20 30 CDEDLO C=CC[C@H](CC)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000346264644 391345939 /nfs/dbraw/zinc/34/59/39/391345939.db2.gz OBGOABHHQHPOBM-KKUMJFAQSA-N 1 2 295.427 1.846 20 30 CDEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccc1F ZINC000346815883 391373423 /nfs/dbraw/zinc/37/34/23/391373423.db2.gz DBGZPFOVMVEHCJ-UHFFFAOYSA-N 1 2 275.327 1.820 20 30 CDEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccc1F ZINC000346815883 391373428 /nfs/dbraw/zinc/37/34/28/391373428.db2.gz DBGZPFOVMVEHCJ-UHFFFAOYSA-N 1 2 275.327 1.820 20 30 CDEDLO C=CC[C@H](CO)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000346955433 391377839 /nfs/dbraw/zinc/37/78/39/391377839.db2.gz OEQOZYBIVWXIJK-BFHYXJOUSA-N 1 2 289.379 1.207 20 30 CDEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC000330447385 391433796 /nfs/dbraw/zinc/43/37/96/391433796.db2.gz GBSVUMYITAPOMR-MELADBBJSA-N 1 2 281.400 1.494 20 30 CDEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC000330447385 391433798 /nfs/dbraw/zinc/43/37/98/391433798.db2.gz GBSVUMYITAPOMR-MELADBBJSA-N 1 2 281.400 1.494 20 30 CDEDLO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)NCC#N ZINC000330517714 391436504 /nfs/dbraw/zinc/43/65/04/391436504.db2.gz XMLOFTLVFRNZOZ-LLVKDONJSA-N 1 2 263.366 1.697 20 30 CDEDLO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)NCC#N ZINC000330517714 391436505 /nfs/dbraw/zinc/43/65/05/391436505.db2.gz XMLOFTLVFRNZOZ-LLVKDONJSA-N 1 2 263.366 1.697 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)OC[C@H]1CC ZINC000355282436 391446839 /nfs/dbraw/zinc/44/68/39/391446839.db2.gz ROZOVCZFUKMCTQ-ZIAGYGMSSA-N 1 2 268.401 1.910 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)OC[C@H]1CC ZINC000355282436 391446842 /nfs/dbraw/zinc/44/68/42/391446842.db2.gz ROZOVCZFUKMCTQ-ZIAGYGMSSA-N 1 2 268.401 1.910 20 30 CDEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)CC#N)cc1 ZINC000355375568 391451644 /nfs/dbraw/zinc/45/16/44/391451644.db2.gz DSTRVWQXBDXVNT-HNNXBMFYSA-N 1 2 287.363 1.398 20 30 CDEDLO C=C(CC)C[NH2+][C@H](C(=O)OCC)C1CCOCC1 ZINC000348772814 391454664 /nfs/dbraw/zinc/45/46/64/391454664.db2.gz IRMSWSZYRSNXNA-ZDUSSCGKSA-N 1 2 255.358 1.901 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000339955913 391475771 /nfs/dbraw/zinc/47/57/71/391475771.db2.gz SJRPMKOHXLMDLF-LBPRGKRZSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000339955913 391475774 /nfs/dbraw/zinc/47/57/74/391475774.db2.gz SJRPMKOHXLMDLF-LBPRGKRZSA-N 1 2 254.374 1.426 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2cccc(C#N)c2F)C[C@@H](C)O1 ZINC000439289712 391573846 /nfs/dbraw/zinc/57/38/46/391573846.db2.gz ONDBKZOVJSMIHA-BXUZGUMPSA-N 1 2 278.327 1.933 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2cccc(C#N)c2F)C[C@@H](C)O1 ZINC000439289712 391573850 /nfs/dbraw/zinc/57/38/50/391573850.db2.gz ONDBKZOVJSMIHA-BXUZGUMPSA-N 1 2 278.327 1.933 20 30 CDEDLO C=CC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000335896337 391611766 /nfs/dbraw/zinc/61/17/66/391611766.db2.gz DZICNUMJJLSWCL-CYBMUJFWSA-N 1 2 259.353 1.870 20 30 CDEDLO C=CCOC[C@H](NCc1cccc2[nH+]ccn21)C(=O)OC ZINC000361113012 391683886 /nfs/dbraw/zinc/68/38/86/391683886.db2.gz KFDRPQSXRHMGTK-ZDUSSCGKSA-N 1 2 289.335 1.168 20 30 CDEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)NCC(F)(F)F ZINC000362170258 391713239 /nfs/dbraw/zinc/71/32/39/391713239.db2.gz OLJCXLUHOMDFHP-MRVPVSSYSA-N 1 2 251.252 1.289 20 30 CDEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)NCC(F)(F)F ZINC000362170258 391713241 /nfs/dbraw/zinc/71/32/41/391713241.db2.gz OLJCXLUHOMDFHP-MRVPVSSYSA-N 1 2 251.252 1.289 20 30 CDEDLO [O-]C(=[NH+]C[C@H]1COc2ccccc21)N1CCn2cc[nH+]c2C1 ZINC000329738362 391766142 /nfs/dbraw/zinc/76/61/42/391766142.db2.gz MSQSHEWWDPBCKO-LBPRGKRZSA-N 1 2 298.346 1.789 20 30 CDEDLO CC[C@]1(CO)CCCN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329753437 391770848 /nfs/dbraw/zinc/77/08/48/391770848.db2.gz WUYHIUBHDDWFLO-XHDPSFHLSA-N 1 2 292.383 1.418 20 30 CDEDLO CC[C@]1(CO)CCCN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329753437 391770852 /nfs/dbraw/zinc/77/08/52/391770852.db2.gz WUYHIUBHDDWFLO-XHDPSFHLSA-N 1 2 292.383 1.418 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000192233064 130398357 /nfs/dbraw/zinc/39/83/57/130398357.db2.gz GFYHAHHBZWPSOD-UHFFFAOYSA-N 1 2 282.246 1.512 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000192233064 130398360 /nfs/dbraw/zinc/39/83/60/130398360.db2.gz GFYHAHHBZWPSOD-UHFFFAOYSA-N 1 2 282.246 1.512 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCc1ccccc1COCCC ZINC000192230714 130399265 /nfs/dbraw/zinc/39/92/65/130399265.db2.gz LFMRWVKJSPGSNU-UHFFFAOYSA-N 1 2 288.391 1.794 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCc1ccccc1COCCC ZINC000192230714 130399268 /nfs/dbraw/zinc/39/92/68/130399268.db2.gz LFMRWVKJSPGSNU-UHFFFAOYSA-N 1 2 288.391 1.794 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCc1ccc(COCC)cc1 ZINC000192230667 130399334 /nfs/dbraw/zinc/39/93/34/130399334.db2.gz WPCQLDSGLWZMFZ-UHFFFAOYSA-N 1 2 274.364 1.404 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCc1ccc(COCC)cc1 ZINC000192230667 130399337 /nfs/dbraw/zinc/39/93/37/130399337.db2.gz WPCQLDSGLWZMFZ-UHFFFAOYSA-N 1 2 274.364 1.404 20 30 CDEDLO C=CCC(CC=C)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413964237 391877010 /nfs/dbraw/zinc/87/70/10/391877010.db2.gz ZJTLTIUEKKJGQY-UHFFFAOYSA-N 1 2 280.412 1.982 20 30 CDEDLO CN(Cc1ccc(C#N)cc1)c1nc[nH+]c2c1OCCN2 ZINC000590573217 391909058 /nfs/dbraw/zinc/90/90/58/391909058.db2.gz SINRFOXQLLOXLS-UHFFFAOYSA-N 1 2 281.319 1.789 20 30 CDEDLO CN(Cc1ccc(C#N)cc1)c1[nH+]cnc2c1OCCN2 ZINC000590573217 391909060 /nfs/dbraw/zinc/90/90/60/391909060.db2.gz SINRFOXQLLOXLS-UHFFFAOYSA-N 1 2 281.319 1.789 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263719454 131315552 /nfs/dbraw/zinc/31/55/52/131315552.db2.gz OKAWJMIHDOAVGC-HNNXBMFYSA-N 1 2 274.364 1.534 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263719454 131315554 /nfs/dbraw/zinc/31/55/54/131315554.db2.gz OKAWJMIHDOAVGC-HNNXBMFYSA-N 1 2 274.364 1.534 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCc1cccc(C#N)c1)C1CC1 ZINC000491782780 392571392 /nfs/dbraw/zinc/57/13/92/392571392.db2.gz ODCWOTXOPSJDDQ-UHFFFAOYSA-N 1 2 267.332 1.272 20 30 CDEDLO C#CC[N@H+](CC(=O)NCc1cccc(C#N)c1)C1CC1 ZINC000491782780 392571395 /nfs/dbraw/zinc/57/13/95/392571395.db2.gz ODCWOTXOPSJDDQ-UHFFFAOYSA-N 1 2 267.332 1.272 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCOCC12CC2 ZINC000549403864 392575302 /nfs/dbraw/zinc/57/53/02/392575302.db2.gz RKTDQROXTTZDBF-UHFFFAOYSA-N 1 2 288.347 1.810 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCOCC12CC2 ZINC000549403864 392575308 /nfs/dbraw/zinc/57/53/08/392575308.db2.gz RKTDQROXTTZDBF-UHFFFAOYSA-N 1 2 288.347 1.810 20 30 CDEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@H](n3cccn3)C2)cc1 ZINC000361596436 392761485 /nfs/dbraw/zinc/76/14/85/392761485.db2.gz SOIDKDFNVMXZOM-LSDHHAIUSA-N 1 2 295.346 1.228 20 30 CDEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@H](n3cccn3)C2)cc1 ZINC000361596436 392761489 /nfs/dbraw/zinc/76/14/89/392761489.db2.gz SOIDKDFNVMXZOM-LSDHHAIUSA-N 1 2 295.346 1.228 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000267129821 131823895 /nfs/dbraw/zinc/82/38/95/131823895.db2.gz VLUSANAHVBTFMM-UHFFFAOYSA-N 1 2 284.319 1.437 20 30 CDEDLO C[C@@H]1C[N@H+](CCNc2ccc(C#N)cc2F)CCO1 ZINC000523463102 392887525 /nfs/dbraw/zinc/88/75/25/392887525.db2.gz LNNKQMVINOGDLW-LLVKDONJSA-N 1 2 263.316 1.830 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNc2ccc(C#N)cc2F)CCO1 ZINC000523463102 392887535 /nfs/dbraw/zinc/88/75/35/392887535.db2.gz LNNKQMVINOGDLW-LLVKDONJSA-N 1 2 263.316 1.830 20 30 CDEDLO Cc1cc(C)c(C#N)c(NCC[N@@H+]2CCO[C@H](C)C2)n1 ZINC000523733428 392891017 /nfs/dbraw/zinc/89/10/17/392891017.db2.gz IFTNOSYYUVXTKV-CYBMUJFWSA-N 1 2 274.368 1.703 20 30 CDEDLO Cc1cc(C)c(C#N)c(NCC[N@H+]2CCO[C@H](C)C2)n1 ZINC000523733428 392891020 /nfs/dbraw/zinc/89/10/20/392891020.db2.gz IFTNOSYYUVXTKV-CYBMUJFWSA-N 1 2 274.368 1.703 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)n(C)n1 ZINC000417704733 392873177 /nfs/dbraw/zinc/87/31/77/392873177.db2.gz RHUURVQCHKQCOS-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO Cc1noc(C2C[NH+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC000421384559 392933612 /nfs/dbraw/zinc/93/36/12/392933612.db2.gz PAPRKAFSLLZXDD-UHFFFAOYSA-N 1 2 272.283 1.988 20 30 CDEDLO CC#CC[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000268652142 132042657 /nfs/dbraw/zinc/04/26/57/132042657.db2.gz GSWHBADWTLLHHJ-JKSUJKDBSA-N 1 2 259.349 1.834 20 30 CDEDLO CC#CC[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000268652142 132042658 /nfs/dbraw/zinc/04/26/58/132042658.db2.gz GSWHBADWTLLHHJ-JKSUJKDBSA-N 1 2 259.349 1.834 20 30 CDEDLO C=CCCS(=O)(=O)N1CCN(C)c2[nH+]cccc21 ZINC000268888751 132083522 /nfs/dbraw/zinc/08/35/22/132083522.db2.gz TYTDJELKTIFTTB-UHFFFAOYSA-N 1 2 267.354 1.244 20 30 CDEDLO Cc1c([C@H](C)Nc2cc(C)[nH+]cc2C#N)cnn1C ZINC000425202786 392991897 /nfs/dbraw/zinc/99/18/97/392991897.db2.gz CUZNKLLVNOMELL-JTQLQIEISA-N 1 2 255.325 1.899 20 30 CDEDLO Cc1cc(N[C@@H](C)CN2CCCC2=O)c(C#N)c[nH+]1 ZINC000425205525 392993519 /nfs/dbraw/zinc/99/35/19/392993519.db2.gz BNBMOGBBJPHJSM-NSHDSACASA-N 1 2 258.325 1.106 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNc1c(C#N)cccc1[N+](=O)[O-] ZINC000425229621 392998929 /nfs/dbraw/zinc/99/89/29/392998929.db2.gz RLCVAYKZHYUAMQ-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNc1c(C#N)cccc1[N+](=O)[O-] ZINC000425229621 392998930 /nfs/dbraw/zinc/99/89/30/392998930.db2.gz RLCVAYKZHYUAMQ-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO Cc1cc(NC[C@@H](O)Cc2cccc(F)c2)c(C#N)c[nH+]1 ZINC000425271623 393012007 /nfs/dbraw/zinc/01/20/07/393012007.db2.gz VOZLRWPODCLVHR-HNNXBMFYSA-N 1 2 285.322 1.838 20 30 CDEDLO C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCCCCC(=O)C2)CC1 ZINC000575109589 335066325 /nfs/dbraw/zinc/06/63/25/335066325.db2.gz HHASNWUTTPQQFP-CYBMUJFWSA-N 1 2 291.395 1.630 20 30 CDEDLO N#Cc1nccnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000044550461 134910213 /nfs/dbraw/zinc/91/02/13/134910213.db2.gz GWSFUWKHEZFMIN-UHFFFAOYSA-N 1 2 266.308 1.070 20 30 CDEDLO Cc1ccc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c(=O)[nH]1 ZINC000329614367 292038514 /nfs/dbraw/zinc/03/85/14/292038514.db2.gz PEANWQAUKRSGON-VIFPVBQESA-N 1 2 272.308 1.681 20 30 CDEDLO Cc1ccc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c(=O)[nH]1 ZINC000329614367 292038517 /nfs/dbraw/zinc/03/85/17/292038517.db2.gz PEANWQAUKRSGON-VIFPVBQESA-N 1 2 272.308 1.681 20 30 CDEDLO C=CCCOCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000676066288 483404363 /nfs/dbraw/zinc/40/43/63/483404363.db2.gz XKZTVBHQYUCYBZ-UHFFFAOYSA-N 1 2 251.330 1.324 20 30 CDEDLO Cn1cc[nH+]c1CNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094591945 147093211 /nfs/dbraw/zinc/09/32/11/147093211.db2.gz PMNKDMYXTWJQEN-UHFFFAOYSA-N 1 2 257.253 1.812 20 30 CDEDLO CCOCCNC(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000084694610 286093818 /nfs/dbraw/zinc/09/38/18/286093818.db2.gz RHEJCHWSIAMPSQ-UHFFFAOYSA-N 1 2 269.389 1.401 20 30 CDEDLO CCOCCNC(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000084694610 286093822 /nfs/dbraw/zinc/09/38/22/286093822.db2.gz RHEJCHWSIAMPSQ-UHFFFAOYSA-N 1 2 269.389 1.401 20 30 CDEDLO N#Cc1cccc(F)c1CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000334241579 149384810 /nfs/dbraw/zinc/38/48/10/149384810.db2.gz NNUQHFGDNFZOPV-NSHDSACASA-N 1 2 298.321 1.637 20 30 CDEDLO N#Cc1cccc(F)c1CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000334241579 149384812 /nfs/dbraw/zinc/38/48/12/149384812.db2.gz NNUQHFGDNFZOPV-NSHDSACASA-N 1 2 298.321 1.637 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cc(C#N)cn1C)CCC2 ZINC000335897159 151093255 /nfs/dbraw/zinc/09/32/55/151093255.db2.gz CTIAVFQETLOTHH-CYBMUJFWSA-N 1 2 297.362 1.709 20 30 CDEDLO CCN1CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)CC1=O ZINC000336170142 151332489 /nfs/dbraw/zinc/33/24/89/151332489.db2.gz OMGNWAMNVFOYNO-LBPRGKRZSA-N 1 2 257.337 1.783 20 30 CDEDLO CCN1CC[N@H+]([C@@H](C)c2cccc(C#N)c2)CC1=O ZINC000336170142 151332491 /nfs/dbraw/zinc/33/24/91/151332491.db2.gz OMGNWAMNVFOYNO-LBPRGKRZSA-N 1 2 257.337 1.783 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)s1)C[C@H](O)C(F)(F)F ZINC000349372444 154103150 /nfs/dbraw/zinc/10/31/50/154103150.db2.gz UUBZHLDRAKVTQV-VIFPVBQESA-N 1 2 264.272 1.975 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)s1)C[C@H](O)C(F)(F)F ZINC000349372444 154103153 /nfs/dbraw/zinc/10/31/53/154103153.db2.gz UUBZHLDRAKVTQV-VIFPVBQESA-N 1 2 264.272 1.975 20 30 CDEDLO CSc1[nH]c(=O)c(C(=O)NCCC[NH+](C)C)cc1C#N ZINC000349808442 154224714 /nfs/dbraw/zinc/22/47/14/154224714.db2.gz RPKXEGLKVPNZJJ-UHFFFAOYSA-N 1 2 294.380 1.062 20 30 CDEDLO CC(C)C[N@H+](Cc1nnnn1C)Cc1ccc(C#N)cc1 ZINC000355874227 157272510 /nfs/dbraw/zinc/27/25/10/157272510.db2.gz SRUBBTVPOJZABM-UHFFFAOYSA-N 1 2 284.367 1.740 20 30 CDEDLO CC(C)C[N@@H+](Cc1nnnn1C)Cc1ccc(C#N)cc1 ZINC000355874227 157272512 /nfs/dbraw/zinc/27/25/12/157272512.db2.gz SRUBBTVPOJZABM-UHFFFAOYSA-N 1 2 284.367 1.740 20 30 CDEDLO N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)c1ccc2c[nH+]cn2c1 ZINC000359716895 158349269 /nfs/dbraw/zinc/34/92/69/158349269.db2.gz MTSHYXAIGQDLSS-UHFFFAOYSA-N 1 2 292.302 1.481 20 30 CDEDLO CCNC(=O)CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000374347967 160276446 /nfs/dbraw/zinc/27/64/46/160276446.db2.gz DRBVXTHVTDZKTG-HNNXBMFYSA-N 1 2 287.363 1.458 20 30 CDEDLO CCNC(=O)CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000374347967 160276448 /nfs/dbraw/zinc/27/64/48/160276448.db2.gz DRBVXTHVTDZKTG-HNNXBMFYSA-N 1 2 287.363 1.458 20 30 CDEDLO C=CCSCC[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000284897756 196152495 /nfs/dbraw/zinc/15/24/95/196152495.db2.gz CDCCJTONWPXNNR-GFCCVEGCSA-N 1 2 275.381 1.798 20 30 CDEDLO C=C[C@H](CO)NC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000660788619 413481735 /nfs/dbraw/zinc/48/17/35/413481735.db2.gz LEYKYVFKKKOFML-GFCCVEGCSA-N 1 2 288.351 1.031 20 30 CDEDLO C#CCN(CC[N@@H+]1CCO[C@H](C)C1)Cc1ccccc1 ZINC000285601541 196341206 /nfs/dbraw/zinc/34/12/06/196341206.db2.gz JIMXJWMMWJQSIN-MRXNPFEDSA-N 1 2 272.392 1.843 20 30 CDEDLO C#CCN(CC[N@H+]1CCO[C@H](C)C1)Cc1ccccc1 ZINC000285601541 196341208 /nfs/dbraw/zinc/34/12/08/196341208.db2.gz JIMXJWMMWJQSIN-MRXNPFEDSA-N 1 2 272.392 1.843 20 30 CDEDLO C=C[C@@](C)(O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000665561180 414282111 /nfs/dbraw/zinc/28/21/11/414282111.db2.gz LKSAAISCDCNKGG-CQSZACIVSA-N 1 2 280.393 1.329 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)CC(C)(C)O1 ZINC000044477824 175178655 /nfs/dbraw/zinc/17/86/55/175178655.db2.gz PQQQDYMSXNUOAY-LBPRGKRZSA-N 1 2 287.363 1.996 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CC(C)(C)O1 ZINC000044477824 175178656 /nfs/dbraw/zinc/17/86/56/175178656.db2.gz PQQQDYMSXNUOAY-LBPRGKRZSA-N 1 2 287.363 1.996 20 30 CDEDLO CN(CC#N)C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000072072172 176312410 /nfs/dbraw/zinc/31/24/10/176312410.db2.gz JFIFDUKDVFITLO-CQSZACIVSA-N 1 2 289.404 1.758 20 30 CDEDLO Cc1nnc(NC(=O)[C@@H](C)[NH+]2CCSCC2)n1C1CC1 ZINC000329091993 227291262 /nfs/dbraw/zinc/29/12/62/227291262.db2.gz WZSRAGOYCVVCJN-SECBINFHSA-N 1 2 295.412 1.947 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CN1CCCCCC1=O ZINC000329126853 227314220 /nfs/dbraw/zinc/31/42/20/227314220.db2.gz YSHDFBRBFHNCNO-ZDUSSCGKSA-N 1 2 297.399 1.066 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)CN1CCCCCC1=O ZINC000329126853 227314224 /nfs/dbraw/zinc/31/42/24/227314224.db2.gz YSHDFBRBFHNCNO-ZDUSSCGKSA-N 1 2 297.399 1.066 20 30 CDEDLO Cc1ccc(NC(=O)C[C@@H]2NC(=O)NC2=O)c(C)[nH+]1 ZINC000329180244 227341303 /nfs/dbraw/zinc/34/13/03/227341303.db2.gz OFPXVOJMZDXNQL-VIFPVBQESA-N 1 2 262.269 1.929 20 30 CDEDLO C[C@]1([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CCCOC1 ZINC000330275069 228088470 /nfs/dbraw/zinc/08/84/70/228088470.db2.gz LAHZSDXGWVMMEW-FZMZJTMJSA-N 1 2 278.356 1.271 20 30 CDEDLO C[C@]1(NC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCCOC1 ZINC000330275069 228088472 /nfs/dbraw/zinc/08/84/72/228088472.db2.gz LAHZSDXGWVMMEW-FZMZJTMJSA-N 1 2 278.356 1.271 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 ZINC000333792164 228214827 /nfs/dbraw/zinc/21/48/27/228214827.db2.gz WKXZBSUSQLHQGE-RWMBFGLXSA-N 1 2 287.367 1.611 20 30 CDEDLO CC[C@H](C)NC(=O)CO[NH+]=C(N)Cc1csc(C)n1 ZINC000049065853 260203550 /nfs/dbraw/zinc/20/35/50/260203550.db2.gz XUFPFSJWAZOQCD-QMMMGPOBSA-N 1 2 284.385 1.198 20 30 CDEDLO C[C@@H](NC(=O)C1(C#N)CCCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000408079586 260218130 /nfs/dbraw/zinc/21/81/30/260218130.db2.gz HUNCHOBEGRPKFY-ZIAGYGMSSA-N 1 2 293.411 1.686 20 30 CDEDLO CCc1nc(CO[NH+]=C(N)c2ccc(OC)cc2)no1 ZINC000067098299 260250589 /nfs/dbraw/zinc/25/05/89/260250589.db2.gz HWARWMPFSBVMRO-UHFFFAOYSA-N 1 2 276.296 1.478 20 30 CDEDLO Cc1ccc(CO[NH+]=C(N)CN2CCOCC2)cc1 ZINC000078640291 260301437 /nfs/dbraw/zinc/30/14/37/260301437.db2.gz AOQWAWLEJITXJG-UHFFFAOYSA-N 1 2 263.341 1.116 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C ZINC000521063072 260340802 /nfs/dbraw/zinc/34/08/02/260340802.db2.gz IUHYBCCXWNOZAB-WCQYABFASA-N 1 2 250.346 1.323 20 30 CDEDLO Cc1cccc(Cl)c1NC(=O)CO[NH+]=C(N)CCO ZINC000121368326 260710120 /nfs/dbraw/zinc/71/01/20/260710120.db2.gz IMWCZZCTNLJHGR-UHFFFAOYSA-N 1 2 285.731 1.258 20 30 CDEDLO C#CCOCCC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156615168 260800125 /nfs/dbraw/zinc/80/01/25/260800125.db2.gz ZNBYMESMAVMLKJ-KBPBESRZSA-N 1 2 275.352 1.333 20 30 CDEDLO C#CC[N@@H+](CC/C=C/CC)[C@@H]1CCS(=O)(=O)C1 ZINC000490983959 261279298 /nfs/dbraw/zinc/27/92/98/261279298.db2.gz COEZYTVRJBPJPV-URWSZGRFSA-N 1 2 255.383 1.465 20 30 CDEDLO C#CC[N@H+](CC/C=C/CC)[C@@H]1CCS(=O)(=O)C1 ZINC000490983959 261279300 /nfs/dbraw/zinc/27/93/00/261279300.db2.gz COEZYTVRJBPJPV-URWSZGRFSA-N 1 2 255.383 1.465 20 30 CDEDLO C#CCNC(=O)C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000491203150 261368574 /nfs/dbraw/zinc/36/85/74/261368574.db2.gz STSAAIDHXDTDMK-FLIBITNWSA-N 1 2 275.179 1.767 20 30 CDEDLO C=CC[N@H+](C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000108871307 262065331 /nfs/dbraw/zinc/06/53/31/262065331.db2.gz BHNXTISMVKVQQE-OLZOCXBDSA-N 1 2 273.398 1.231 20 30 CDEDLO C=CC[N@@H+](C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000108871307 262065333 /nfs/dbraw/zinc/06/53/33/262065333.db2.gz BHNXTISMVKVQQE-OLZOCXBDSA-N 1 2 273.398 1.231 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000336687740 262379837 /nfs/dbraw/zinc/37/98/37/262379837.db2.gz AAERRHPHNSGQTD-IUCAKERBSA-N 1 2 263.263 1.241 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000336687740 262379838 /nfs/dbraw/zinc/37/98/38/262379838.db2.gz AAERRHPHNSGQTD-IUCAKERBSA-N 1 2 263.263 1.241 20 30 CDEDLO N#CCCCCNC(=O)NCCNc1cccc[nH+]1 ZINC000264141601 262880159 /nfs/dbraw/zinc/88/01/59/262880159.db2.gz XQTKEJOQNMFCTM-UHFFFAOYSA-N 1 2 261.329 1.487 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)CC[S@]1=O ZINC000277118818 263039628 /nfs/dbraw/zinc/03/96/28/263039628.db2.gz HRDJKAJNQNHDSF-ZUOKHONESA-N 1 2 292.404 1.932 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)CC[S@]1=O ZINC000277118818 263039629 /nfs/dbraw/zinc/03/96/29/263039629.db2.gz HRDJKAJNQNHDSF-ZUOKHONESA-N 1 2 292.404 1.932 20 30 CDEDLO COc1cc(C)[nH+]c(CSc2nnc(CC#N)n2C)c1 ZINC000280010034 263058636 /nfs/dbraw/zinc/05/86/36/263058636.db2.gz TUWVFGUTTSDOAA-UHFFFAOYSA-N 1 2 289.364 1.886 20 30 CDEDLO NC(=[NH+]OCc1cccc(F)c1F)[C@@H]1CCCO1 ZINC000284502245 263087197 /nfs/dbraw/zinc/08/71/97/263087197.db2.gz SYYQJBZGNPHZAD-JTQLQIEISA-N 1 2 256.252 1.933 20 30 CDEDLO N#Cc1cccc(OCCCO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000284527424 263087331 /nfs/dbraw/zinc/08/73/31/263087331.db2.gz UXETXUNUZQGFNR-CQSZACIVSA-N 1 2 289.335 1.795 20 30 CDEDLO NC(CCO)=[NH+]OCc1cccc(Br)n1 ZINC000292105306 263128481 /nfs/dbraw/zinc/12/84/81/263128481.db2.gz PTBXJVAGBORXKO-UHFFFAOYSA-N 1 2 274.118 1.015 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2cccs2)CC1 ZINC000121415746 263295614 /nfs/dbraw/zinc/29/56/14/263295614.db2.gz VZIXGWHQSKRKRF-LBPRGKRZSA-N 1 2 277.393 1.008 20 30 CDEDLO Cc1occc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330623723 263998090 /nfs/dbraw/zinc/99/80/90/263998090.db2.gz QCCOLEAHJDTQDX-JTQLQIEISA-N 1 2 252.314 1.613 20 30 CDEDLO Cc1occc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330623723 263998093 /nfs/dbraw/zinc/99/80/93/263998093.db2.gz QCCOLEAHJDTQDX-JTQLQIEISA-N 1 2 252.314 1.613 20 30 CDEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)Nc1nccs1 ZINC000330833144 264050582 /nfs/dbraw/zinc/05/05/82/264050582.db2.gz KNWIPUVMIHQKIP-LPEHRKFASA-N 1 2 264.354 1.752 20 30 CDEDLO COc1cccc(F)c1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330956223 264087138 /nfs/dbraw/zinc/08/71/38/264087138.db2.gz NFKDIPPUUGXZEX-LLVKDONJSA-N 1 2 296.342 1.860 20 30 CDEDLO COc1cccc(F)c1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330956223 264087139 /nfs/dbraw/zinc/08/71/39/264087139.db2.gz NFKDIPPUUGXZEX-LLVKDONJSA-N 1 2 296.342 1.860 20 30 CDEDLO COC(=O)[C@H]1CN(C(=O)Nc2ccc(C)[nH+]c2C)CCO1 ZINC000331325997 264190736 /nfs/dbraw/zinc/19/07/36/264190736.db2.gz FMWKDDXMYSIEHY-GFCCVEGCSA-N 1 2 293.323 1.118 20 30 CDEDLO N#CC1(C[N@H+]2CCCN(CC(F)(F)F)CC2)CC1 ZINC000343259638 264237212 /nfs/dbraw/zinc/23/72/12/264237212.db2.gz NUUOKXSXPKACEC-UHFFFAOYSA-N 1 2 261.291 1.860 20 30 CDEDLO N#CC1(C[N@@H+]2CCCN(CC(F)(F)F)CC2)CC1 ZINC000343259638 264237215 /nfs/dbraw/zinc/23/72/15/264237215.db2.gz NUUOKXSXPKACEC-UHFFFAOYSA-N 1 2 261.291 1.860 20 30 CDEDLO C=C[C@@H](C)Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000129254222 264320848 /nfs/dbraw/zinc/32/08/48/264320848.db2.gz LZMPJXHQJNGYRG-NEPJUHHUSA-N 1 2 262.357 1.672 20 30 CDEDLO C=C[C@@H](C)Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000129254222 264320849 /nfs/dbraw/zinc/32/08/49/264320849.db2.gz LZMPJXHQJNGYRG-NEPJUHHUSA-N 1 2 262.357 1.672 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425499976 264362913 /nfs/dbraw/zinc/36/29/13/264362913.db2.gz KROVZIAZILNIDQ-OLZOCXBDSA-N 1 2 258.329 1.359 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425499976 264362915 /nfs/dbraw/zinc/36/29/15/264362915.db2.gz KROVZIAZILNIDQ-OLZOCXBDSA-N 1 2 258.329 1.359 20 30 CDEDLO C=CCCn1cc(C[N@@H+](CCO)Cc2ccccc2)nn1 ZINC000653542412 424259025 /nfs/dbraw/zinc/25/90/25/424259025.db2.gz PQBZFVAWHNELRN-UHFFFAOYSA-N 1 2 286.379 1.849 20 30 CDEDLO C=CCCn1cc(C[N@H+](CCO)Cc2ccccc2)nn1 ZINC000653542412 424259031 /nfs/dbraw/zinc/25/90/31/424259031.db2.gz PQBZFVAWHNELRN-UHFFFAOYSA-N 1 2 286.379 1.849 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1C ZINC000356810616 266178487 /nfs/dbraw/zinc/17/84/87/266178487.db2.gz GEFYZFACFHLQEZ-KGLIPLIRSA-N 1 2 280.412 1.910 20 30 CDEDLO C[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC#N)c2C1 ZINC000357610170 266335638 /nfs/dbraw/zinc/33/56/38/266335638.db2.gz CMNYWWCWQXMZQH-UHFFFAOYSA-N 1 2 280.331 1.476 20 30 CDEDLO C[N@H+]1CCc2nc3ccccc3c(C(=O)NCC#N)c2C1 ZINC000357610170 266335641 /nfs/dbraw/zinc/33/56/41/266335641.db2.gz CMNYWWCWQXMZQH-UHFFFAOYSA-N 1 2 280.331 1.476 20 30 CDEDLO C=CCn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000368398743 267168927 /nfs/dbraw/zinc/16/89/27/267168927.db2.gz UZBPAQGOXPKUHL-AWEZNQCLSA-N 1 2 285.351 1.433 20 30 CDEDLO C=CCn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000368398743 267168929 /nfs/dbraw/zinc/16/89/29/267168929.db2.gz UZBPAQGOXPKUHL-AWEZNQCLSA-N 1 2 285.351 1.433 20 30 CDEDLO CCn1cc[nH+]c1CNC(=O)c1cc(C#N)[nH]c1C ZINC000519776279 267257259 /nfs/dbraw/zinc/25/72/59/267257259.db2.gz MBOONDYVGQSNCV-UHFFFAOYSA-N 1 2 257.297 1.341 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCOCC12CCCC2)C1CC1 ZINC000371249542 267377176 /nfs/dbraw/zinc/37/71/76/267377176.db2.gz KSUSZKUZPNCTJY-OAHLLOKOSA-N 1 2 291.395 1.440 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCOCC12CCCC2)C1CC1 ZINC000371249542 267377178 /nfs/dbraw/zinc/37/71/78/267377178.db2.gz KSUSZKUZPNCTJY-OAHLLOKOSA-N 1 2 291.395 1.440 20 30 CDEDLO CC(=O)NCC1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000399569203 270374153 /nfs/dbraw/zinc/37/41/53/270374153.db2.gz JMDFDUSRAQQPHW-UHFFFAOYSA-N 1 2 272.352 1.614 20 30 CDEDLO C#CC[NH+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276659380 275382940 /nfs/dbraw/zinc/38/29/40/275382940.db2.gz RSBDHASZSULYSI-UHFFFAOYSA-N 1 2 296.330 1.898 20 30 CDEDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)s1 ZINC000435426349 288100517 /nfs/dbraw/zinc/10/05/17/288100517.db2.gz HNISNEPVBDQAEZ-VHSXEESVSA-N 1 2 299.421 1.333 20 30 CDEDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)s1 ZINC000435426349 288100519 /nfs/dbraw/zinc/10/05/19/288100519.db2.gz HNISNEPVBDQAEZ-VHSXEESVSA-N 1 2 299.421 1.333 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)c1 ZINC000246569184 280291553 /nfs/dbraw/zinc/29/15/53/280291553.db2.gz LBZKVTKWXSTWLG-LSDHHAIUSA-N 1 2 269.348 1.801 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)c1 ZINC000246569184 280291556 /nfs/dbraw/zinc/29/15/56/280291556.db2.gz LBZKVTKWXSTWLG-LSDHHAIUSA-N 1 2 269.348 1.801 20 30 CDEDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(C#N)s1 ZINC000355156568 288392501 /nfs/dbraw/zinc/39/25/01/288392501.db2.gz AMDPSLBMYBGXAZ-ZJUUUORDSA-N 1 2 252.339 1.201 20 30 CDEDLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(C#N)s1 ZINC000355156568 288392504 /nfs/dbraw/zinc/39/25/04/288392504.db2.gz AMDPSLBMYBGXAZ-ZJUUUORDSA-N 1 2 252.339 1.201 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(C#N)cc1 ZINC000154904074 289221878 /nfs/dbraw/zinc/22/18/78/289221878.db2.gz UVRLPUUMZPRJBC-UHFFFAOYSA-N 1 2 268.320 1.917 20 30 CDEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)C2CC(C)(C)C2)c1C#N ZINC000558394676 290389562 /nfs/dbraw/zinc/38/95/62/290389562.db2.gz HGACXICWSLHGSW-UHFFFAOYSA-N 1 2 289.383 1.230 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc(O)c3)CC2)nc1 ZINC000561470508 293086824 /nfs/dbraw/zinc/08/68/24/293086824.db2.gz IYGJLPGNLJQRMT-UHFFFAOYSA-N 1 2 294.358 1.981 20 30 CDEDLO N#Cc1cncnc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000570315775 294215362 /nfs/dbraw/zinc/21/53/62/294215362.db2.gz HRBWKFDSXOGOGF-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO N#Cc1nc(NC(=O)c2ccc3c[nH+]cn3c2)[nH]c1C#N ZINC000351263248 295000078 /nfs/dbraw/zinc/00/00/78/295000078.db2.gz ZYYRNKVBNSWALU-UHFFFAOYSA-N 1 2 277.247 1.053 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](COC)c1ccco1 ZINC000184623018 327831414 /nfs/dbraw/zinc/83/14/14/327831414.db2.gz DHEDIMIYRZWQRP-OLZOCXBDSA-N 1 2 293.367 1.565 20 30 CDEDLO CC(C)n1nnnc1C[NH+]1CCC(CCC#N)CC1 ZINC000563067722 327871739 /nfs/dbraw/zinc/87/17/39/327871739.db2.gz ILTOPFJBJIWFTP-UHFFFAOYSA-N 1 2 262.361 1.770 20 30 CDEDLO CCn1cc[nH+]c1CNC(=O)c1cc(C#N)oc1C ZINC000563409653 316297822 /nfs/dbraw/zinc/29/78/22/316297822.db2.gz ZLPALSBLWQWTAU-UHFFFAOYSA-N 1 2 258.281 1.606 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc2nccnc21 ZINC000583567791 328614032 /nfs/dbraw/zinc/61/40/32/328614032.db2.gz MKSHEOJYDIFFSC-OAHLLOKOSA-N 1 2 283.335 1.203 20 30 CDEDLO C=CCN(CC=C)C(=O)CO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000266245548 328168521 /nfs/dbraw/zinc/16/85/21/328168521.db2.gz YPTJWBWFWHMWRL-ZDUSSCGKSA-N 1 2 297.399 1.537 20 30 CDEDLO CCN(C)C(=O)CO[NH+]=C(N)c1ccc(C)c(F)c1 ZINC000273577429 328205399 /nfs/dbraw/zinc/20/53/99/328205399.db2.gz NCZPZGTXAHIEOP-UHFFFAOYSA-N 1 2 267.304 1.249 20 30 CDEDLO C=CCN1CC[C@H]([NH2+][C@@H](C)c2ncccc2F)C1=O ZINC000528823598 328213580 /nfs/dbraw/zinc/21/35/80/328213580.db2.gz LRKZGGYGQQZDCZ-JQWIXIFHSA-N 1 2 263.316 1.658 20 30 CDEDLO COC(=O)c1cc(C[N@H+](C)C[C@H](C)C#N)n(C)c1C ZINC000291305308 328262892 /nfs/dbraw/zinc/26/28/92/328262892.db2.gz XDHRCJHFGPMJJO-SNVBAGLBSA-N 1 2 263.341 1.712 20 30 CDEDLO COC(=O)c1cc(C[N@@H+](C)C[C@H](C)C#N)n(C)c1C ZINC000291305308 328262893 /nfs/dbraw/zinc/26/28/93/328262893.db2.gz XDHRCJHFGPMJJO-SNVBAGLBSA-N 1 2 263.341 1.712 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CN(CC)c2ccccc2)CC1 ZINC000112920438 328451639 /nfs/dbraw/zinc/45/16/39/328451639.db2.gz YKSDKWZUUHZPDQ-UHFFFAOYSA-N 1 2 285.391 1.290 20 30 CDEDLO Cc1cccc(C[NH+]2CCN(c3cnccc3C#N)CC2)n1 ZINC000579665614 324245676 /nfs/dbraw/zinc/24/56/76/324245676.db2.gz YVTRUYCWHGQYIF-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO N#Cc1c2c(cn(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)c1=O)CCC2 ZINC000582596115 325004915 /nfs/dbraw/zinc/00/49/15/325004915.db2.gz ADTQITAGJLJWDW-OKILXGFUSA-N 1 2 299.374 1.072 20 30 CDEDLO N#Cc1c2c(cn(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)c1=O)CCC2 ZINC000582596115 325004918 /nfs/dbraw/zinc/00/49/18/325004918.db2.gz ADTQITAGJLJWDW-OKILXGFUSA-N 1 2 299.374 1.072 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000335142978 328570259 /nfs/dbraw/zinc/57/02/59/328570259.db2.gz RSHOXNIGKOXNQY-ZIAGYGMSSA-N 1 2 280.412 1.910 20 30 CDEDLO C[C@H]([NH2+]CCC#N)C(=O)N1c2ccccc2C[C@H]1C ZINC000557360442 327002947 /nfs/dbraw/zinc/00/29/47/327002947.db2.gz UICBLDMEZCGITD-NEPJUHHUSA-N 1 2 257.337 1.856 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1COc2ccccc2C1 ZINC000584207699 327066898 /nfs/dbraw/zinc/06/68/98/327066898.db2.gz ZBAWPICXSWDJAZ-XJKSGUPXSA-N 1 2 287.363 1.198 20 30 CDEDLO COc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1F ZINC000562323200 327470340 /nfs/dbraw/zinc/47/03/40/327470340.db2.gz VRRXLGJUNQRZTR-AWEZNQCLSA-N 1 2 279.315 1.408 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCC1(C#N)CC1)CCC2 ZINC000570146305 327572180 /nfs/dbraw/zinc/57/21/80/327572180.db2.gz JYDOZODNGQPYQT-LBPRGKRZSA-N 1 2 287.367 1.672 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCCC[C@@H]1C(=O)OC ZINC000378563864 329054954 /nfs/dbraw/zinc/05/49/54/329054954.db2.gz HPLZTRDQBCETAW-CQSZACIVSA-N 1 2 296.411 1.829 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCCC[C@@H]1C(=O)OC ZINC000378563864 329054956 /nfs/dbraw/zinc/05/49/56/329054956.db2.gz HPLZTRDQBCETAW-CQSZACIVSA-N 1 2 296.411 1.829 20 30 CDEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)NCC#N ZINC000175383972 329165411 /nfs/dbraw/zinc/16/54/11/329165411.db2.gz IIFKZZUHYXQTBP-YBTHPKLGSA-N 1 2 293.392 1.057 20 30 CDEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)NCC#N ZINC000175383972 329165412 /nfs/dbraw/zinc/16/54/12/329165412.db2.gz IIFKZZUHYXQTBP-YBTHPKLGSA-N 1 2 293.392 1.057 20 30 CDEDLO C=CCC[C@@H]1NC(=O)N(CCCn2cc[nH+]c2)C1=O ZINC000419913665 329747704 /nfs/dbraw/zinc/74/77/04/329747704.db2.gz PNOVMDDKJTWGLW-NSHDSACASA-N 1 2 262.313 1.160 20 30 CDEDLO CC(C)Cn1nccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000572247188 329958102 /nfs/dbraw/zinc/95/81/02/329958102.db2.gz XPDCLELTZCVXII-AWEZNQCLSA-N 1 2 277.372 1.113 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000572361024 330001887 /nfs/dbraw/zinc/00/18/87/330001887.db2.gz YWIUTTOPUYDENP-HIFRSBDPSA-N 1 2 293.411 1.495 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000572361024 330001888 /nfs/dbraw/zinc/00/18/88/330001888.db2.gz YWIUTTOPUYDENP-HIFRSBDPSA-N 1 2 293.411 1.495 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccc(C)nc1 ZINC001690925503 1175607644 /nfs/dbraw/zinc/60/76/44/1175607644.db2.gz QAIOODZXBCDDLD-UHFFFAOYSA-N 1 2 267.760 1.804 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccc(C)nc1 ZINC001690925503 1175607646 /nfs/dbraw/zinc/60/76/46/1175607646.db2.gz QAIOODZXBCDDLD-UHFFFAOYSA-N 1 2 267.760 1.804 20 30 CDEDLO C=C(C)COCCNc1nc(NC)c2ccccc2[nH+]1 ZINC000450387011 330975769 /nfs/dbraw/zinc/97/57/69/330975769.db2.gz IMQIAMSQCVJYTH-UHFFFAOYSA-N 1 2 272.352 1.520 20 30 CDEDLO C=CCn1cccc1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000488942468 332034533 /nfs/dbraw/zinc/03/45/33/332034533.db2.gz MIYKUKNVKWQEHT-UHFFFAOYSA-N 1 2 299.378 1.355 20 30 CDEDLO CN(C)[C@@H](C(=O)NCC(C)(C)CCC#N)c1c[nH+]cn1C ZINC000489902295 332072431 /nfs/dbraw/zinc/07/24/31/332072431.db2.gz ZCNMZCZNTBSXAY-CYBMUJFWSA-N 1 2 291.399 1.469 20 30 CDEDLO C#CC[N@@H+](C[C@H](O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000490740666 332111224 /nfs/dbraw/zinc/11/12/24/332111224.db2.gz MGEPNESPZWTQTP-GJZGRUSLSA-N 1 2 299.436 1.050 20 30 CDEDLO C#CC[N@H+](C[C@H](O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000490740666 332111226 /nfs/dbraw/zinc/11/12/26/332111226.db2.gz MGEPNESPZWTQTP-GJZGRUSLSA-N 1 2 299.436 1.050 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CSCCC(F)(F)F)CC1 ZINC000490741619 332111726 /nfs/dbraw/zinc/11/17/26/332111726.db2.gz WBOUMNRLKRQNQB-UHFFFAOYSA-N 1 2 294.342 1.449 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N(CC)Cc1ccccc1 ZINC000490762243 332113706 /nfs/dbraw/zinc/11/37/06/332113706.db2.gz GSAIXQHDIFTCQD-UHFFFAOYSA-N 1 2 268.360 1.604 20 30 CDEDLO C#CC[N@H+](CC)CCCS(=O)(=O)c1ccc(F)cc1 ZINC000490841688 332120019 /nfs/dbraw/zinc/12/00/19/332120019.db2.gz WTBNDVPPEWWMQU-UHFFFAOYSA-N 1 2 283.368 1.945 20 30 CDEDLO C#CC[N@@H+](CC)CCCS(=O)(=O)c1ccc(F)cc1 ZINC000490841688 332120021 /nfs/dbraw/zinc/12/00/21/332120021.db2.gz WTBNDVPPEWWMQU-UHFFFAOYSA-N 1 2 283.368 1.945 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)NC(C2CC2)(C2CC2)C1=O ZINC000491440670 332212301 /nfs/dbraw/zinc/21/23/01/332212301.db2.gz QLRLPFQLABOTAU-JTQLQIEISA-N 1 2 275.352 1.008 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)NC(C2CC2)(C2CC2)C1=O ZINC000491440670 332212303 /nfs/dbraw/zinc/21/23/03/332212303.db2.gz QLRLPFQLABOTAU-JTQLQIEISA-N 1 2 275.352 1.008 20 30 CDEDLO C#C[C@@H](CC)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000491451270 332213672 /nfs/dbraw/zinc/21/36/72/332213672.db2.gz FEYNOGVGJLPLGH-ZDUSSCGKSA-N 1 2 272.352 1.325 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)cn1 ZINC000491524131 332229375 /nfs/dbraw/zinc/22/93/75/332229375.db2.gz JLVNUZNWWBNHGU-SECBINFHSA-N 1 2 251.717 1.627 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)cn1 ZINC000491524131 332229377 /nfs/dbraw/zinc/22/93/77/332229377.db2.gz JLVNUZNWWBNHGU-SECBINFHSA-N 1 2 251.717 1.627 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCc1ccc2c(c1)CCO2 ZINC000491535982 332231674 /nfs/dbraw/zinc/23/16/74/332231674.db2.gz GSDFMCRAHAPMSM-HNNXBMFYSA-N 1 2 257.333 1.498 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCc1ccc2c(c1)CCO2 ZINC000491535982 332231675 /nfs/dbraw/zinc/23/16/75/332231675.db2.gz GSDFMCRAHAPMSM-HNNXBMFYSA-N 1 2 257.333 1.498 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000491555870 332237697 /nfs/dbraw/zinc/23/76/97/332237697.db2.gz UMSXMKNXTFORHR-VIFPVBQESA-N 1 2 276.336 1.554 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000491555870 332237698 /nfs/dbraw/zinc/23/76/98/332237698.db2.gz UMSXMKNXTFORHR-VIFPVBQESA-N 1 2 276.336 1.554 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CCCS(=O)(=O)c1ccccc1 ZINC000491628773 332252013 /nfs/dbraw/zinc/25/20/13/332252013.db2.gz NUSUXMFPDRYTIW-CYBMUJFWSA-N 1 2 265.378 1.804 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CCCS(=O)(=O)c1ccccc1 ZINC000491628773 332252014 /nfs/dbraw/zinc/25/20/14/332252014.db2.gz NUSUXMFPDRYTIW-CYBMUJFWSA-N 1 2 265.378 1.804 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000491702563 332296617 /nfs/dbraw/zinc/29/66/17/332296617.db2.gz RIKTVJOEWNXWJO-VIFPVBQESA-N 1 2 288.273 1.609 20 30 CDEDLO C#CC[N@@H+](C[C@@H](CC(C)C)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000491735559 332316126 /nfs/dbraw/zinc/31/61/26/332316126.db2.gz UHMIQPVKHYFJRG-ZIAGYGMSSA-N 1 2 287.425 1.170 20 30 CDEDLO C#CC[N@H+](C[C@@H](CC(C)C)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000491735559 332316127 /nfs/dbraw/zinc/31/61/27/332316127.db2.gz UHMIQPVKHYFJRG-ZIAGYGMSSA-N 1 2 287.425 1.170 20 30 CDEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C(C)(C)C ZINC000491736143 332316352 /nfs/dbraw/zinc/31/63/52/332316352.db2.gz AAVIQYCGKBEGMT-GFCCVEGCSA-N 1 2 298.346 1.437 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1 ZINC000491768174 332335718 /nfs/dbraw/zinc/33/57/18/332335718.db2.gz JUWWGHRMDOZNPI-AWEZNQCLSA-N 1 2 258.321 1.349 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1 ZINC000491768174 332335719 /nfs/dbraw/zinc/33/57/19/332335719.db2.gz JUWWGHRMDOZNPI-AWEZNQCLSA-N 1 2 258.321 1.349 20 30 CDEDLO C#CCN(Cc1ccc(F)cc1)C(=O)Cn1cc[nH+]c1 ZINC000491783009 332346641 /nfs/dbraw/zinc/34/66/41/332346641.db2.gz OTULNWQWJZUMTM-UHFFFAOYSA-N 1 2 271.295 1.684 20 30 CDEDLO C#CC[N@H+](C[C@H]1Cc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000491789523 332351537 /nfs/dbraw/zinc/35/15/37/332351537.db2.gz VEHONEYGKQSIJR-CABCVRRESA-N 1 2 289.400 1.449 20 30 CDEDLO C#CC[N@@H+](C[C@H]1Cc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000491789523 332351538 /nfs/dbraw/zinc/35/15/38/332351538.db2.gz VEHONEYGKQSIJR-CABCVRRESA-N 1 2 289.400 1.449 20 30 CDEDLO C#CCN(CC#CC)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000491807612 332360904 /nfs/dbraw/zinc/36/09/04/332360904.db2.gz CNWYETUIIYWJBO-UHFFFAOYSA-N 1 2 265.316 1.741 20 30 CDEDLO C#CC[N@H+](Cc1ccccc1)C[C@H](C)S(C)(=O)=O ZINC000491818035 332368344 /nfs/dbraw/zinc/36/83/44/332368344.db2.gz WTKQSNZCAUNXSL-ZDUSSCGKSA-N 1 2 265.378 1.555 20 30 CDEDLO C#CC[N@@H+](Cc1ccccc1)C[C@H](C)S(C)(=O)=O ZINC000491818035 332368346 /nfs/dbraw/zinc/36/83/46/332368346.db2.gz WTKQSNZCAUNXSL-ZDUSSCGKSA-N 1 2 265.378 1.555 20 30 CDEDLO C=CCC[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C(=O)OCC ZINC000493113129 332426756 /nfs/dbraw/zinc/42/67/56/332426756.db2.gz FMWQQEOCDWFCPU-AEZGRPFRSA-N 1 2 277.324 1.437 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000192234023 333233033 /nfs/dbraw/zinc/23/30/33/333233033.db2.gz WSHGTWKPLLQKOK-LBPRGKRZSA-N 1 2 260.337 1.896 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000192234023 333233034 /nfs/dbraw/zinc/23/30/34/333233034.db2.gz WSHGTWKPLLQKOK-LBPRGKRZSA-N 1 2 260.337 1.896 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCc1cccc(Cl)c1 ZINC000192230078 333233061 /nfs/dbraw/zinc/23/30/61/333233061.db2.gz KNRXBTOAVJQIRM-UHFFFAOYSA-N 1 2 250.729 1.521 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCc1cccc(Cl)c1 ZINC000192230078 333233062 /nfs/dbraw/zinc/23/30/62/333233062.db2.gz KNRXBTOAVJQIRM-UHFFFAOYSA-N 1 2 250.729 1.521 20 30 CDEDLO CC[C@]1(C)C[N@H+](CC(=O)NC2(C#N)CCCCC2)CCO1 ZINC000135615355 334134606 /nfs/dbraw/zinc/13/46/06/334134606.db2.gz XAIBEFUARJMEKQ-OAHLLOKOSA-N 1 2 293.411 1.830 20 30 CDEDLO CC[C@]1(C)C[N@@H+](CC(=O)NC2(C#N)CCCCC2)CCO1 ZINC000135615355 334134608 /nfs/dbraw/zinc/13/46/08/334134608.db2.gz XAIBEFUARJMEKQ-OAHLLOKOSA-N 1 2 293.411 1.830 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000565484265 334567832 /nfs/dbraw/zinc/56/78/32/334567832.db2.gz LVQORJLPQKFSSH-LZWOXQAQSA-N 1 2 289.354 1.889 20 30 CDEDLO N#CC1(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000579547141 335795558 /nfs/dbraw/zinc/79/55/58/335795558.db2.gz GOFFSHXHOMHPJG-UHFFFAOYSA-N 1 2 295.346 1.975 20 30 CDEDLO CC(C)COC[C@@H]([NH2+]CC(=O)NCC#N)c1ccco1 ZINC000184170974 335919744 /nfs/dbraw/zinc/91/97/44/335919744.db2.gz IQRKUDKYOVVWJP-GFCCVEGCSA-N 1 2 279.340 1.223 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N[C@@H](C#N)C(C)C)ccn12 ZINC000581081176 336006083 /nfs/dbraw/zinc/00/60/83/336006083.db2.gz FYWBGULXKMOBEF-LBPRGKRZSA-N 1 2 256.309 1.921 20 30 CDEDLO C=CCCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000581618784 336113814 /nfs/dbraw/zinc/11/38/14/336113814.db2.gz ONNDKYCLSFGQCM-UHFFFAOYSA-N 1 2 273.336 1.128 20 30 CDEDLO C=CC(C)(C)C(=O)NCCC[N@@H+](CC)Cc1nc(C)no1 ZINC001752205475 1159479606 /nfs/dbraw/zinc/47/96/06/1159479606.db2.gz ZIJBVEUTWZNNPQ-UHFFFAOYSA-N 1 2 294.399 1.918 20 30 CDEDLO C=CC(C)(C)C(=O)NCCC[N@H+](CC)Cc1nc(C)no1 ZINC001752205475 1159479612 /nfs/dbraw/zinc/47/96/12/1159479612.db2.gz ZIJBVEUTWZNNPQ-UHFFFAOYSA-N 1 2 294.399 1.918 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001008199956 1159601753 /nfs/dbraw/zinc/60/17/53/1159601753.db2.gz AGVHBVHXYMXOQK-ADEWGFFLSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001008199956 1159601757 /nfs/dbraw/zinc/60/17/57/1159601757.db2.gz AGVHBVHXYMXOQK-ADEWGFFLSA-N 1 2 256.777 1.976 20 30 CDEDLO COc1cc(C[NH2+][C@@H](C)c2ncn(C)n2)ccc1C#N ZINC000281654156 533893860 /nfs/dbraw/zinc/89/38/60/533893860.db2.gz KGUHIFYOWRIMHD-JTQLQIEISA-N 1 2 271.324 1.546 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](C)OCCCC)CC1 ZINC001112676436 1162050877 /nfs/dbraw/zinc/05/08/77/1162050877.db2.gz LRGGDKZVSRDCTO-CQSZACIVSA-N 1 2 268.401 1.912 20 30 CDEDLO C#CCCCCCC(=O)N1CC[NH+](CC#CC)CC1 ZINC001113205107 1162129041 /nfs/dbraw/zinc/12/90/41/1162129041.db2.gz LQQXHOGWPINKNM-UHFFFAOYSA-N 1 2 260.381 1.738 20 30 CDEDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CC(CO)C1 ZINC000330083059 534354780 /nfs/dbraw/zinc/35/47/80/534354780.db2.gz HGEOGBXBMLBVOQ-UHFFFAOYSA-N 1 2 290.367 1.020 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@H](COC)c1ccc(CC)o1 ZINC000184789865 518894541 /nfs/dbraw/zinc/89/45/41/518894541.db2.gz GBXMVHNNJWQQGB-GFCCVEGCSA-N 1 2 266.341 1.421 20 30 CDEDLO CC(=O)NC[C@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000246330305 519674642 /nfs/dbraw/zinc/67/46/42/519674642.db2.gz HYERIYISLLNFCS-WBMJQRKESA-N 1 2 287.363 1.456 20 30 CDEDLO CC(=O)NC[C@H]1C[N@@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000246330305 519674644 /nfs/dbraw/zinc/67/46/44/519674644.db2.gz HYERIYISLLNFCS-WBMJQRKESA-N 1 2 287.363 1.456 20 30 CDEDLO C[N@H+](Cc1cc(C#N)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000157648986 523167328 /nfs/dbraw/zinc/16/73/28/523167328.db2.gz BHLWVDMDYLPEFI-SNVBAGLBSA-N 1 2 270.379 1.239 20 30 CDEDLO C[N@@H+](Cc1cc(C#N)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000157648986 523167334 /nfs/dbraw/zinc/16/73/34/523167334.db2.gz BHLWVDMDYLPEFI-SNVBAGLBSA-N 1 2 270.379 1.239 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)OCCC(C)C)CC1 ZINC001113715416 1162265126 /nfs/dbraw/zinc/26/51/26/1162265126.db2.gz ZIOWUTIARWGKIT-CQSZACIVSA-N 1 2 268.401 1.768 20 30 CDEDLO C[C@@H](CNC(=O)c1cc(C#N)cs1)Cn1cc[nH+]c1 ZINC000084301434 524712806 /nfs/dbraw/zinc/71/28/06/524712806.db2.gz VUPHAXMGKQUUCF-JTQLQIEISA-N 1 2 274.349 1.882 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)COc1ccc(C#N)cc1 ZINC000042375627 524954813 /nfs/dbraw/zinc/95/48/13/524954813.db2.gz VBUGXECJBHMZSZ-LBPRGKRZSA-N 1 2 284.319 1.338 20 30 CDEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1c(F)cncc1F ZINC000353200106 526594888 /nfs/dbraw/zinc/59/48/88/526594888.db2.gz AUYRUJNEZKSODJ-QMMMGPOBSA-N 1 2 298.293 1.022 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+](CC)CC(=O)N1CCCCCC1 ZINC000353218622 526631534 /nfs/dbraw/zinc/63/15/34/526631534.db2.gz XNHXYTJCMAKVQT-AWEZNQCLSA-N 1 2 295.427 1.402 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+](CC)CC(=O)N1CCCCCC1 ZINC000353218622 526631537 /nfs/dbraw/zinc/63/15/37/526631537.db2.gz XNHXYTJCMAKVQT-AWEZNQCLSA-N 1 2 295.427 1.402 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000334773780 526677356 /nfs/dbraw/zinc/67/73/56/526677356.db2.gz XLCMCXGHZLEVNZ-UHFFFAOYSA-N 1 2 258.387 1.062 20 30 CDEDLO CCC[N@H+](CC(=O)N(C)C)Cc1cc(F)ccc1C#N ZINC000158607236 527884737 /nfs/dbraw/zinc/88/47/37/527884737.db2.gz LKBGPFTZWAODJO-UHFFFAOYSA-N 1 2 277.343 1.998 20 30 CDEDLO CCC[N@@H+](CC(=O)N(C)C)Cc1cc(F)ccc1C#N ZINC000158607236 527884744 /nfs/dbraw/zinc/88/47/44/527884744.db2.gz LKBGPFTZWAODJO-UHFFFAOYSA-N 1 2 277.343 1.998 20 30 CDEDLO CC(C)[C@@H]1CCN1C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330284327 528700001 /nfs/dbraw/zinc/70/00/01/528700001.db2.gz XIHLBZZFOJFCSE-RYUDHWBXSA-N 1 2 262.357 1.842 20 30 CDEDLO CC(C)[C@@H]1CCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330284327 528700006 /nfs/dbraw/zinc/70/00/06/528700006.db2.gz XIHLBZZFOJFCSE-RYUDHWBXSA-N 1 2 262.357 1.842 20 30 CDEDLO CN(CC[NH+]1CCOCC1)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000263896082 536375740 /nfs/dbraw/zinc/37/57/40/536375740.db2.gz WGVARJUTWOTCDO-VOTSOKGWSA-N 1 2 299.374 1.362 20 30 CDEDLO CN1C(=O)CC[C@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000329591188 538589205 /nfs/dbraw/zinc/58/92/05/538589205.db2.gz ZUTNNXVPNKTHSB-NSHDSACASA-N 1 2 272.308 1.412 20 30 CDEDLO Cc1ncc(NC(=O)N2CCn3cc[nH+]c3C2)cn1 ZINC000329836905 538694203 /nfs/dbraw/zinc/69/42/03/538694203.db2.gz LVSXXMMMGVDTBK-UHFFFAOYSA-N 1 2 258.285 1.043 20 30 CDEDLO C#Cc1ccc(C(=O)N(C)Cc2[nH+]ccn2C)cn1 ZINC000728857577 574657395 /nfs/dbraw/zinc/65/73/95/574657395.db2.gz SCQXTZOGENZFBP-UHFFFAOYSA-N 1 2 254.293 1.069 20 30 CDEDLO N#CCOC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000729294272 574745232 /nfs/dbraw/zinc/74/52/32/574745232.db2.gz ZXVLPLMWAWOFMQ-CQSZACIVSA-N 1 2 274.320 1.251 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc2c(s1)CCC2 ZINC000730103779 574850474 /nfs/dbraw/zinc/85/04/74/574850474.db2.gz DCUKZINEYRTAGS-NSHDSACASA-N 1 2 275.377 1.668 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc2c(s1)CCC2 ZINC000730103779 574850476 /nfs/dbraw/zinc/85/04/76/574850476.db2.gz DCUKZINEYRTAGS-NSHDSACASA-N 1 2 275.377 1.668 20 30 CDEDLO CCO[C@@H]1CC(=[NH+]n2cnnc2)[C@@H]1Oc1ccccc1 ZINC000774300607 575196838 /nfs/dbraw/zinc/19/68/38/575196838.db2.gz FYMLJJMQANCTRO-KGLIPLIRSA-N 1 2 272.308 1.739 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1csc(CC)n1 ZINC000732165950 575082234 /nfs/dbraw/zinc/08/22/34/575082234.db2.gz RTIJWJNFLHYQCL-AAEUAGOBSA-N 1 2 291.420 1.980 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1csc(CC)n1 ZINC000732165950 575082235 /nfs/dbraw/zinc/08/22/35/575082235.db2.gz RTIJWJNFLHYQCL-AAEUAGOBSA-N 1 2 291.420 1.980 20 30 CDEDLO CC[C@@]1(C)CC(=O)N(C[NH+]2CCC(C#N)CC2)C1=O ZINC000767968078 576243351 /nfs/dbraw/zinc/24/33/51/576243351.db2.gz FJVHWKMUPKRRGD-AWEZNQCLSA-N 1 2 263.341 1.355 20 30 CDEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)c1ccc[nH]1 ZINC000761833924 576596319 /nfs/dbraw/zinc/59/63/19/576596319.db2.gz FDHLQGCLCSFTIE-UHFFFAOYSA-N 1 2 267.296 1.827 20 30 CDEDLO C#CCNC(=O)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000774862781 575247039 /nfs/dbraw/zinc/24/70/39/575247039.db2.gz FQHMYZMJSVVDPN-VIFPVBQESA-N 1 2 252.264 1.365 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000769646682 575367137 /nfs/dbraw/zinc/36/71/37/575367137.db2.gz YMPGLZHHMVVWNO-NSHDSACASA-N 1 2 254.293 1.361 20 30 CDEDLO C=C1CC[NH+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735402447 575464727 /nfs/dbraw/zinc/46/47/27/575464727.db2.gz AZTKSUQDTRRIJA-UHFFFAOYSA-N 1 2 298.350 1.457 20 30 CDEDLO C=CCNC(=O)Cc1noc(-c2ccc3[nH+]ccn3c2)n1 ZINC000770991530 575525699 /nfs/dbraw/zinc/52/56/99/575525699.db2.gz OJNHXUFHCQHCBW-UHFFFAOYSA-N 1 2 283.291 1.229 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)O[C@H]2CCCCC2=O)CC1 ZINC000772110997 575661657 /nfs/dbraw/zinc/66/16/57/575661657.db2.gz XVXYWGYFBNSYHP-AWEZNQCLSA-N 1 2 263.337 1.387 20 30 CDEDLO C[N@H+](CC(=O)[C@@H](C#N)c1ccccn1)[C@H]1CCSC1 ZINC000773973503 575846654 /nfs/dbraw/zinc/84/66/54/575846654.db2.gz FMZMSULWUDTAOK-RYUDHWBXSA-N 1 2 275.377 1.695 20 30 CDEDLO C[N@@H+](CC(=O)[C@@H](C#N)c1ccccn1)[C@H]1CCSC1 ZINC000773973503 575846655 /nfs/dbraw/zinc/84/66/55/575846655.db2.gz FMZMSULWUDTAOK-RYUDHWBXSA-N 1 2 275.377 1.695 20 30 CDEDLO C#CCOCCc1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000761773927 576592805 /nfs/dbraw/zinc/59/28/05/576592805.db2.gz ATMFBIQWTWQQDC-UHFFFAOYSA-N 1 2 257.293 1.556 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2cc(-c3ccoc3)n[nH]2)CC1 ZINC000744422481 576680057 /nfs/dbraw/zinc/68/00/57/576680057.db2.gz XAABKNSNDPDORT-UHFFFAOYSA-N 1 2 284.319 1.061 20 30 CDEDLO N#Cc1ccc(C(=O)OCC[NH+]2CCOCC2)cc1 ZINC000747089113 576858297 /nfs/dbraw/zinc/85/82/97/576858297.db2.gz CYENFWKYXXTWCO-UHFFFAOYSA-N 1 2 260.293 1.047 20 30 CDEDLO COCCCC(C)N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753941077 576867875 /nfs/dbraw/zinc/86/78/75/576867875.db2.gz WQDSHAXKPBRDDK-RYUDHWBXSA-N 1 2 252.362 1.649 20 30 CDEDLO N#CCc1ccccc1C(=O)OCC[NH+]1CCOCC1 ZINC000747685156 576880265 /nfs/dbraw/zinc/88/02/65/576880265.db2.gz JXFQBTAGRSQKMJ-UHFFFAOYSA-N 1 2 274.320 1.242 20 30 CDEDLO CCOC(=O)C[N@H+](C)CCCOc1ccc(C#N)cc1 ZINC000749249512 576941287 /nfs/dbraw/zinc/94/12/87/576941287.db2.gz BNZZCJSZNJOYPS-UHFFFAOYSA-N 1 2 276.336 1.822 20 30 CDEDLO CCOC(=O)C[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000749249512 576941288 /nfs/dbraw/zinc/94/12/88/576941288.db2.gz BNZZCJSZNJOYPS-UHFFFAOYSA-N 1 2 276.336 1.822 20 30 CDEDLO C#CCOCCC(=O)OCc1cn2cccc(C)c2[nH+]1 ZINC000756305367 576984876 /nfs/dbraw/zinc/98/48/76/576984876.db2.gz PROWGQQMFTVGOA-UHFFFAOYSA-N 1 2 272.304 1.726 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(F)c(F)c2F)CC1 ZINC000750610582 576997365 /nfs/dbraw/zinc/99/73/65/576997365.db2.gz DUCXUZJGEUBJMO-UHFFFAOYSA-N 1 2 296.292 1.885 20 30 CDEDLO C[C@H]1C[N@H+](CC/N=C/c2cccc(O)c2O)CCO1 ZINC000750949670 577018648 /nfs/dbraw/zinc/01/86/48/577018648.db2.gz HBKCMDLSLJIAPT-ZRRZQRFHSA-N 1 2 264.325 1.237 20 30 CDEDLO C[C@H]1C[N@@H+](CC/N=C/c2cccc(O)c2O)CCO1 ZINC000750949670 577018649 /nfs/dbraw/zinc/01/86/49/577018649.db2.gz HBKCMDLSLJIAPT-ZRRZQRFHSA-N 1 2 264.325 1.237 20 30 CDEDLO C[N@H+](CCOC(C)(C)C)Cn1cccc(C#N)c1=O ZINC000758238821 577088309 /nfs/dbraw/zinc/08/83/09/577088309.db2.gz KKEMVBNDORBVHP-UHFFFAOYSA-N 1 2 263.341 1.424 20 30 CDEDLO C[N@@H+](CCOC(C)(C)C)Cn1cccc(C#N)c1=O ZINC000758238821 577088311 /nfs/dbraw/zinc/08/83/11/577088311.db2.gz KKEMVBNDORBVHP-UHFFFAOYSA-N 1 2 263.341 1.424 20 30 CDEDLO CC[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)C[C@@H](C)C#N ZINC000825435167 608598145 /nfs/dbraw/zinc/59/81/45/608598145.db2.gz OBEVHHYIZOOXTL-VIFPVBQESA-N 1 2 276.369 1.910 20 30 CDEDLO CC[N@H+](Cc1ccc(-c2nn[nH]n2)s1)C[C@@H](C)C#N ZINC000825435167 608598147 /nfs/dbraw/zinc/59/81/47/608598147.db2.gz OBEVHHYIZOOXTL-VIFPVBQESA-N 1 2 276.369 1.910 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[N@H+](C/C=C\Cl)CC1 ZINC000980838337 617289375 /nfs/dbraw/zinc/28/93/75/617289375.db2.gz NEDDSTSLTIOAQU-MORRKMRCSA-N 1 2 255.749 1.433 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[N@@H+](C/C=C\Cl)CC1 ZINC000980838337 617289376 /nfs/dbraw/zinc/28/93/76/617289376.db2.gz NEDDSTSLTIOAQU-MORRKMRCSA-N 1 2 255.749 1.433 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccccc2)C1 ZINC000949590871 612992604 /nfs/dbraw/zinc/99/26/04/612992604.db2.gz CRMVEPBJJBNQPZ-UHFFFAOYSA-N 1 2 256.349 1.856 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2scnc2C2CC2)CC1 ZINC000982117999 613160714 /nfs/dbraw/zinc/16/07/14/613160714.db2.gz UBXRAUWVXJPLKI-UHFFFAOYSA-N 1 2 289.404 1.802 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2scnc2C2CC2)CC1 ZINC000982117999 613160716 /nfs/dbraw/zinc/16/07/16/613160716.db2.gz UBXRAUWVXJPLKI-UHFFFAOYSA-N 1 2 289.404 1.802 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ncc(Cl)s2)C1 ZINC000967358287 613222053 /nfs/dbraw/zinc/22/20/53/613222053.db2.gz QQEABHNHGHNVNB-NXEZZACHSA-N 1 2 297.811 1.870 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ncc(Cl)s2)C1 ZINC000967358287 613222054 /nfs/dbraw/zinc/22/20/54/613222054.db2.gz QQEABHNHGHNVNB-NXEZZACHSA-N 1 2 297.811 1.870 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2snnc2CC)C1 ZINC000967279276 613256629 /nfs/dbraw/zinc/25/66/29/613256629.db2.gz JWOXCLOXGNSUGK-CMPLNLGQSA-N 1 2 292.408 1.174 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2snnc2CC)C1 ZINC000967279276 613256630 /nfs/dbraw/zinc/25/66/30/613256630.db2.gz JWOXCLOXGNSUGK-CMPLNLGQSA-N 1 2 292.408 1.174 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC000951733056 613294506 /nfs/dbraw/zinc/29/45/06/613294506.db2.gz MOWKNVHNFIROOW-AWEZNQCLSA-N 1 2 293.411 1.154 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCCO2)C1 ZINC000949896925 613295030 /nfs/dbraw/zinc/29/50/30/613295030.db2.gz LOHJPODHOZURNT-CQSZACIVSA-N 1 2 266.385 1.664 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2C[C@@H](C)CO2)C1 ZINC000950919938 613295565 /nfs/dbraw/zinc/29/55/65/613295565.db2.gz OWAGLMDXSJRWGS-TZMCWYRMSA-N 1 2 266.385 1.520 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(C)nc(C)n2)C1 ZINC000956953718 613296148 /nfs/dbraw/zinc/29/61/48/613296148.db2.gz VYWUXHYLSUYRRM-UHFFFAOYSA-N 1 2 288.395 1.816 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cn(C)nc2C)C1 ZINC000949796738 613297060 /nfs/dbraw/zinc/29/70/60/613297060.db2.gz QMCQZFQUZLFHDR-UHFFFAOYSA-N 1 2 276.384 1.451 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@]2(C)CCO[C@@H]2C)CC1 ZINC000949447436 613319509 /nfs/dbraw/zinc/31/95/09/613319509.db2.gz KWYUMKGKQNOXNN-UKRRQHHQSA-N 1 2 266.385 1.522 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnn(C)c2C2CC2)CC1 ZINC000957905781 613321672 /nfs/dbraw/zinc/32/16/72/613321672.db2.gz CSEHZRSGSDQXDW-UHFFFAOYSA-N 1 2 288.395 1.631 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2nnn(C(C)C)c2C)CC1 ZINC000953835381 613322066 /nfs/dbraw/zinc/32/20/66/613322066.db2.gz AEZAWQFLACTHFH-UHFFFAOYSA-N 1 2 291.399 1.501 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnc(C)n2C)C1 ZINC000970328408 613372042 /nfs/dbraw/zinc/37/20/42/613372042.db2.gz KHIDVCPYAGGTQN-SNVBAGLBSA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCCO2)C1 ZINC000969482482 613372131 /nfs/dbraw/zinc/37/21/31/613372131.db2.gz FMXNEFCXNCJODT-WCQYABFASA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC000965344198 613375722 /nfs/dbraw/zinc/37/57/22/613375722.db2.gz GEJDLHDSTAWDDH-BXKDBHETSA-N 1 2 282.775 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC000965344198 613375723 /nfs/dbraw/zinc/37/57/23/613375723.db2.gz GEJDLHDSTAWDDH-BXKDBHETSA-N 1 2 282.775 1.602 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1c(F)cncc1F ZINC000804825953 617336960 /nfs/dbraw/zinc/33/69/60/617336960.db2.gz KPMGMDOFHGEIDD-GWCFXTLKSA-N 1 2 293.317 1.635 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1c(F)cncc1F ZINC000804825953 617336961 /nfs/dbraw/zinc/33/69/61/617336961.db2.gz KPMGMDOFHGEIDD-GWCFXTLKSA-N 1 2 293.317 1.635 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC000969829987 613474954 /nfs/dbraw/zinc/47/49/54/613474954.db2.gz BKWTUKBSXSENLQ-DOMZBBRYSA-N 1 2 292.383 1.671 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2cn(C)c3ccccc23)CC1 ZINC000949152049 613568840 /nfs/dbraw/zinc/56/88/40/613568840.db2.gz FFJZITWMVCHOIS-UHFFFAOYSA-N 1 2 295.386 1.959 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CCC3)C2)C1 ZINC000972210915 613570283 /nfs/dbraw/zinc/57/02/83/613570283.db2.gz KPZFLJKLUCOLNE-INIZCTEOSA-N 1 2 276.380 1.113 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CCC3)C2)C1 ZINC000972210915 613570285 /nfs/dbraw/zinc/57/02/85/613570285.db2.gz KPZFLJKLUCOLNE-INIZCTEOSA-N 1 2 276.380 1.113 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)/C(C)=C/C)C2)C1 ZINC000972328347 613570723 /nfs/dbraw/zinc/57/07/23/613570723.db2.gz PSLSOMVZEFTASL-HQYNXSMWSA-N 1 2 276.380 1.279 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)/C(C)=C/C)C2)C1 ZINC000972328347 613570724 /nfs/dbraw/zinc/57/07/24/613570724.db2.gz PSLSOMVZEFTASL-HQYNXSMWSA-N 1 2 276.380 1.279 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cncs2)C1 ZINC000965419477 613573247 /nfs/dbraw/zinc/57/32/47/613573247.db2.gz PWKWUWWTTAVXCR-NEPJUHHUSA-N 1 2 277.393 1.607 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cncs2)C1 ZINC000965419477 613573248 /nfs/dbraw/zinc/57/32/48/613573248.db2.gz PWKWUWWTTAVXCR-NEPJUHHUSA-N 1 2 277.393 1.607 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cncc3[nH]ccc32)C1 ZINC000950720693 613659054 /nfs/dbraw/zinc/65/90/54/613659054.db2.gz CKPWLHGBNWSXKH-UHFFFAOYSA-N 1 2 284.363 1.895 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H](C)c2c(C)n[nH]c2C)CC1 ZINC000948945217 613708368 /nfs/dbraw/zinc/70/83/68/613708368.db2.gz QOWQWGXPIZXYAU-GFCCVEGCSA-N 1 2 290.411 1.850 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)COc2cc(F)ccc2F)CC1 ZINC000957414007 613708392 /nfs/dbraw/zinc/70/83/92/613708392.db2.gz GNXRYNXLNOJZGT-UHFFFAOYSA-N 1 2 296.317 1.674 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2CC(C)(C)CO2)CC1 ZINC000949250439 613708990 /nfs/dbraw/zinc/70/89/90/613708990.db2.gz VNAWONHACHDWDF-ZDUSSCGKSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2cccc(F)c2F)CC1 ZINC000950786705 613709380 /nfs/dbraw/zinc/70/93/80/613709380.db2.gz AIZJSDGFQIYMAG-UHFFFAOYSA-N 1 2 280.318 1.838 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCn3nccc32)CC1 ZINC000948935909 613712947 /nfs/dbraw/zinc/71/29/47/613712947.db2.gz WJCKGJPRCUOKIF-ZDUSSCGKSA-N 1 2 274.368 1.091 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C(C)C)nn2C)CC1 ZINC000957037218 613714757 /nfs/dbraw/zinc/71/47/57/613714757.db2.gz HFBVLDSVOMJMOO-UHFFFAOYSA-N 1 2 276.384 1.487 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CC4(CC4)C3)C2)C1 ZINC000972549131 613722768 /nfs/dbraw/zinc/72/27/68/613722768.db2.gz MDRVSOCZRLIYLU-KRWDZBQOSA-N 1 2 290.407 1.666 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CC4(CC4)C3)C2)C1 ZINC000972549131 613722772 /nfs/dbraw/zinc/72/27/72/613722772.db2.gz MDRVSOCZRLIYLU-KRWDZBQOSA-N 1 2 290.407 1.666 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccnc3)C2)C1 ZINC000972224394 613724725 /nfs/dbraw/zinc/72/47/25/613724725.db2.gz MLEUHIHBLXPBLU-INIZCTEOSA-N 1 2 287.363 1.185 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccnc3)C2)C1 ZINC000972224394 613724726 /nfs/dbraw/zinc/72/47/26/613724726.db2.gz MLEUHIHBLXPBLU-INIZCTEOSA-N 1 2 287.363 1.185 20 30 CDEDLO C=CC[N@H+]1CC[C@@H](NC(=O)c2cncc3nc[nH]c32)C[C@H]1C ZINC000947328382 613758018 /nfs/dbraw/zinc/75/80/18/613758018.db2.gz QPVYLCCHVRMPGV-VXGBXAGGSA-N 1 2 299.378 1.727 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cncc3nc[nH]c32)C[C@H]1C ZINC000947328382 613758019 /nfs/dbraw/zinc/75/80/19/613758019.db2.gz QPVYLCCHVRMPGV-VXGBXAGGSA-N 1 2 299.378 1.727 20 30 CDEDLO CN(Cc1cc(C#N)cs1)C(=O)NCCn1cc[nH+]c1 ZINC000891554983 617474939 /nfs/dbraw/zinc/47/49/39/617474939.db2.gz GSOLSYYLIHZYRI-UHFFFAOYSA-N 1 2 289.364 1.658 20 30 CDEDLO C[N@H+](Cc1ccon1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971371447 616089192 /nfs/dbraw/zinc/08/91/92/616089192.db2.gz KGCATYAWNBVSFO-AWEZNQCLSA-N 1 2 299.334 1.221 20 30 CDEDLO C[N@@H+](Cc1ccon1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971371447 616089194 /nfs/dbraw/zinc/08/91/94/616089194.db2.gz KGCATYAWNBVSFO-AWEZNQCLSA-N 1 2 299.334 1.221 20 30 CDEDLO C[N@@H+](Cc1ncccn1)C[C@@H]1CCCN1C(=O)C#CC1CC1 ZINC000960623057 616105992 /nfs/dbraw/zinc/10/59/92/616105992.db2.gz JMNWINKPFKXAFR-HNNXBMFYSA-N 1 2 298.390 1.313 20 30 CDEDLO C[N@H+](Cc1ncccn1)C[C@@H]1CCCN1C(=O)C#CC1CC1 ZINC000960623057 616105993 /nfs/dbraw/zinc/10/59/93/616105993.db2.gz JMNWINKPFKXAFR-HNNXBMFYSA-N 1 2 298.390 1.313 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc(C#N)cc1CO ZINC000891783931 617587866 /nfs/dbraw/zinc/58/78/66/617587866.db2.gz PIKUKKQJDMTXPL-LLVKDONJSA-N 1 2 256.309 1.748 20 30 CDEDLO N#CCOc1ccc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)cc1 ZINC000934573831 617663932 /nfs/dbraw/zinc/66/39/32/617663932.db2.gz HLEPMNTYKXMXBR-ZIAGYGMSSA-N 1 2 264.300 1.494 20 30 CDEDLO N#CCOc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)cc1 ZINC000934573831 617663936 /nfs/dbraw/zinc/66/39/36/617663936.db2.gz HLEPMNTYKXMXBR-ZIAGYGMSSA-N 1 2 264.300 1.494 20 30 CDEDLO Cc1cc(N2CC[C@@](O)(CC#N)C2)nc(C2CCC2)[nH+]1 ZINC000894349008 618808786 /nfs/dbraw/zinc/80/87/86/618808786.db2.gz DPXBZNZATGRVAK-HNNXBMFYSA-N 1 2 272.352 1.907 20 30 CDEDLO COc1cc(F)cc(OC)c1C[NH2+][C@@H]1CCCN(O)C1=O ZINC000895158405 619375067 /nfs/dbraw/zinc/37/50/67/619375067.db2.gz ZUMDEGHCKXZDMU-LLVKDONJSA-N 1 2 298.314 1.313 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2c(F)cccc2F)CCCN1O ZINC000895165345 619392947 /nfs/dbraw/zinc/39/29/47/619392947.db2.gz JFRZUCJDXDCSBM-NSHDSACASA-N 1 2 256.252 1.435 20 30 CDEDLO C#CCSCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000896011238 619945796 /nfs/dbraw/zinc/94/57/96/619945796.db2.gz WPHPFGHTJPRPMR-UHFFFAOYSA-N 1 2 263.366 1.413 20 30 CDEDLO CC#CC[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000897166955 620398802 /nfs/dbraw/zinc/39/88/02/620398802.db2.gz VDLQIBBWJYZISE-UHFFFAOYSA-N 1 2 276.292 1.821 20 30 CDEDLO CC#CC[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000897166955 620398806 /nfs/dbraw/zinc/39/88/06/620398806.db2.gz VDLQIBBWJYZISE-UHFFFAOYSA-N 1 2 276.292 1.821 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898908983 621948571 /nfs/dbraw/zinc/94/85/71/621948571.db2.gz DOSCFIBOTNTAKZ-UHFFFAOYSA-N 1 2 271.324 1.556 20 30 CDEDLO N#CC1(NC(=O)CNc2cccc[nH+]2)CCCCC1 ZINC000900464575 623095051 /nfs/dbraw/zinc/09/50/51/623095051.db2.gz PSKRGCYLOKURRE-UHFFFAOYSA-N 1 2 258.325 1.836 20 30 CDEDLO CCC[C@H](C#N)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000900470561 623106115 /nfs/dbraw/zinc/10/61/15/623106115.db2.gz XCELSCQBJAFKID-MFKMUULPSA-N 1 2 275.356 1.598 20 30 CDEDLO CCC[C@H](C#N)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000900470561 623106118 /nfs/dbraw/zinc/10/61/18/623106118.db2.gz XCELSCQBJAFKID-MFKMUULPSA-N 1 2 275.356 1.598 20 30 CDEDLO C#CCO[C@H](C)c1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904268335 626234973 /nfs/dbraw/zinc/23/49/73/626234973.db2.gz OHEWILCUHJFKBI-SECBINFHSA-N 1 2 258.281 1.733 20 30 CDEDLO C#CC[N@H+](CN1C(=O)[C@@]2(CCCO2)[C@@H]1C1CC1)C(C)C ZINC000905747711 626944133 /nfs/dbraw/zinc/94/41/33/626944133.db2.gz BAFRQWSIEXBQHO-GOEBONIOSA-N 1 2 276.380 1.458 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)[C@@]2(CCCO2)[C@@H]1C1CC1)C(C)C ZINC000905747711 626944134 /nfs/dbraw/zinc/94/41/34/626944134.db2.gz BAFRQWSIEXBQHO-GOEBONIOSA-N 1 2 276.380 1.458 20 30 CDEDLO Cc1cc(C)c(C(=O)N2CCO[C@@H](C#N)C2)c(C)[nH+]1 ZINC000906598387 627346757 /nfs/dbraw/zinc/34/67/57/627346757.db2.gz YTZJALZFVPULES-LBPRGKRZSA-N 1 2 259.309 1.371 20 30 CDEDLO C=CCN(C(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)C ZINC000918056980 632322423 /nfs/dbraw/zinc/32/24/23/632322423.db2.gz AJCGEHKMBBVVSQ-UHFFFAOYSA-N 1 2 283.416 1.703 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000920614014 632811458 /nfs/dbraw/zinc/81/14/58/632811458.db2.gz DACQBCNWSKUTAI-UHFFFAOYSA-N 1 2 295.408 1.864 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2cc(Cl)ccc2C#N)C1 ZINC000129012804 1158921197 /nfs/dbraw/zinc/92/11/97/1158921197.db2.gz PKGKPYWIASLUGX-LBPRGKRZSA-N 1 2 266.728 1.921 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2cc(Cl)ccc2C#N)C1 ZINC000129012804 1158921198 /nfs/dbraw/zinc/92/11/98/1158921198.db2.gz PKGKPYWIASLUGX-LBPRGKRZSA-N 1 2 266.728 1.921 20 30 CDEDLO N#CCOc1cccc(NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000793088878 1162390930 /nfs/dbraw/zinc/39/09/30/1162390930.db2.gz QPRYQQLROJKTSP-UHFFFAOYSA-N 1 2 270.292 1.883 20 30 CDEDLO N#CCOc1cccc(NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000793088878 1162390931 /nfs/dbraw/zinc/39/09/31/1162390931.db2.gz QPRYQQLROJKTSP-UHFFFAOYSA-N 1 2 270.292 1.883 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccnnc1 ZINC001267251227 1159210971 /nfs/dbraw/zinc/21/09/71/1159210971.db2.gz YZKGISNOIIKOMT-UHFFFAOYSA-N 1 2 268.748 1.281 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccnnc1 ZINC001267251227 1159210975 /nfs/dbraw/zinc/21/09/75/1159210975.db2.gz YZKGISNOIIKOMT-UHFFFAOYSA-N 1 2 268.748 1.281 20 30 CDEDLO CN(C(=O)C#CC1CC1)C1CC[NH+](Cc2ncccn2)CC1 ZINC001752299597 1159502126 /nfs/dbraw/zinc/50/21/26/1159502126.db2.gz ISDIGUMGTLEREL-UHFFFAOYSA-N 1 2 298.390 1.313 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cnns2)C1 ZINC001027336541 1159664064 /nfs/dbraw/zinc/66/40/64/1159664064.db2.gz SBNWHTDLGOIVAZ-WDEREUQCSA-N 1 2 293.396 1.121 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2cnns2)C1 ZINC001027336541 1159664062 /nfs/dbraw/zinc/66/40/62/1159664062.db2.gz SBNWHTDLGOIVAZ-WDEREUQCSA-N 1 2 293.396 1.121 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccn(C)n2)[C@H]1C ZINC001088562383 1160550569 /nfs/dbraw/zinc/55/05/69/1160550569.db2.gz SHAABKKPDXLZRC-YPMHNXCESA-N 1 2 296.802 1.294 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccn(C)n2)[C@H]1C ZINC001088562383 1160550577 /nfs/dbraw/zinc/55/05/77/1160550577.db2.gz SHAABKKPDXLZRC-YPMHNXCESA-N 1 2 296.802 1.294 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2[nH]c(C)cc2C)C1 ZINC001035417073 1161523562 /nfs/dbraw/zinc/52/35/62/1161523562.db2.gz SDXUHRAWFQQZIF-CQSZACIVSA-N 1 2 291.395 1.638 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2[nH]c(C)cc2C)C1 ZINC001035417073 1161523564 /nfs/dbraw/zinc/52/35/64/1161523564.db2.gz SDXUHRAWFQQZIF-CQSZACIVSA-N 1 2 291.395 1.638 20 30 CDEDLO C[C@@H](Nc1ncccc1C#N)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001113082208 1162094978 /nfs/dbraw/zinc/09/49/78/1162094978.db2.gz OSEHWGUFRMFNGW-NWDGAFQWSA-N 1 2 298.350 1.155 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCCn3nncc3C2)c1 ZINC000886449854 1166534494 /nfs/dbraw/zinc/53/44/94/1166534494.db2.gz DSMSZVTZTCWZPM-UHFFFAOYSA-N 1 2 253.309 1.556 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCCn3nncc3C2)c1 ZINC000886449854 1166534499 /nfs/dbraw/zinc/53/44/99/1166534499.db2.gz DSMSZVTZTCWZPM-UHFFFAOYSA-N 1 2 253.309 1.556 20 30 CDEDLO N#Cc1c2c(cn(C[N@H+]3CC[C@H](CF)C3)c1=O)CCC2 ZINC001646171536 1167677915 /nfs/dbraw/zinc/67/79/15/1167677915.db2.gz FKYGNGJSOMXDIX-LLVKDONJSA-N 1 2 275.327 1.458 20 30 CDEDLO N#Cc1c2c(cn(C[N@@H+]3CC[C@H](CF)C3)c1=O)CCC2 ZINC001646171536 1167677922 /nfs/dbraw/zinc/67/79/22/1167677922.db2.gz FKYGNGJSOMXDIX-LLVKDONJSA-N 1 2 275.327 1.458 20 30 CDEDLO C#CCCCC(=O)NCCC[N@H+](Cc1cnn[nH]1)C(C)C ZINC001574867245 1171031216 /nfs/dbraw/zinc/03/12/16/1171031216.db2.gz RGEHGDPSUKISCH-UHFFFAOYSA-N 1 2 291.399 1.325 20 30 CDEDLO C#CCCCC(=O)NCCC[N@@H+](Cc1cnn[nH]1)C(C)C ZINC001574867245 1171031224 /nfs/dbraw/zinc/03/12/24/1171031224.db2.gz RGEHGDPSUKISCH-UHFFFAOYSA-N 1 2 291.399 1.325 20 30 CDEDLO C#CCCCC(=O)NCCC[N@H+](Cc1c[nH]nn1)C(C)C ZINC001574867245 1171031230 /nfs/dbraw/zinc/03/12/30/1171031230.db2.gz RGEHGDPSUKISCH-UHFFFAOYSA-N 1 2 291.399 1.325 20 30 CDEDLO C#CCCCC(=O)NCCC[N@@H+](Cc1c[nH]nn1)C(C)C ZINC001574867245 1171031238 /nfs/dbraw/zinc/03/12/38/1171031238.db2.gz RGEHGDPSUKISCH-UHFFFAOYSA-N 1 2 291.399 1.325 20 30 CDEDLO C#CCCCC(=O)NCCC[N@@H+](Cc1cn[nH]n1)C(C)C ZINC001574867245 1171031256 /nfs/dbraw/zinc/03/12/56/1171031256.db2.gz RGEHGDPSUKISCH-UHFFFAOYSA-N 1 2 291.399 1.325 20 30 CDEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589978567 1173221227 /nfs/dbraw/zinc/22/12/27/1173221227.db2.gz OOGGCPQWKVJSFK-VIFPVBQESA-N 1 2 284.323 1.527 20 30 CDEDLO N#C[C@H]1CCC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001592672846 1173963793 /nfs/dbraw/zinc/96/37/93/1173963793.db2.gz OPEINZIXBUZLAB-GFCCVEGCSA-N 1 2 298.350 1.481 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001592672846 1173963796 /nfs/dbraw/zinc/96/37/96/1173963796.db2.gz OPEINZIXBUZLAB-GFCCVEGCSA-N 1 2 298.350 1.481 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccccn1 ZINC001716009438 1179981607 /nfs/dbraw/zinc/98/16/07/1179981607.db2.gz HHJLSIXAKVVPBO-NSHDSACASA-N 1 2 267.760 1.884 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccccn1 ZINC001716009438 1179981612 /nfs/dbraw/zinc/98/16/12/1179981612.db2.gz HHJLSIXAKVVPBO-NSHDSACASA-N 1 2 267.760 1.884 20 30 CDEDLO C=CCCC(=O)NC[C@H](C)[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001752863994 1184940209 /nfs/dbraw/zinc/94/02/09/1184940209.db2.gz JWHGIBDXDQXWKR-NSHDSACASA-N 1 2 294.399 1.928 20 30 CDEDLO CC#CCCCC(=O)N(C)CC[NH+]1CCN(CCF)CC1 ZINC001753343531 1185162779 /nfs/dbraw/zinc/16/27/79/1185162779.db2.gz SPYUVCLWTCQXIT-UHFFFAOYSA-N 1 2 297.418 1.226 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2(COC)CCCC2)C1 ZINC001753659058 1185291085 /nfs/dbraw/zinc/29/10/85/1185291085.db2.gz ZRZWOLRIDMJYRP-CQSZACIVSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C2(COC)CCCC2)C1 ZINC001753659058 1185291092 /nfs/dbraw/zinc/29/10/92/1185291092.db2.gz ZRZWOLRIDMJYRP-CQSZACIVSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CCCC(=O)NC[C@H]1CC[N@H+]1Cc1ccnn1C ZINC001754474807 1185631633 /nfs/dbraw/zinc/63/16/33/1185631633.db2.gz HCKPOUBNQQUQBC-GFCCVEGCSA-N 1 2 262.357 1.077 20 30 CDEDLO C=CCCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccnn1C ZINC001754474807 1185631638 /nfs/dbraw/zinc/63/16/38/1185631638.db2.gz HCKPOUBNQQUQBC-GFCCVEGCSA-N 1 2 262.357 1.077 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CCCC(C)C)CO2 ZINC001755063205 1185803004 /nfs/dbraw/zinc/80/30/04/1185803004.db2.gz IEKCEQKOLRQIPM-OAHLLOKOSA-N 1 2 292.423 1.796 20 30 CDEDLO C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccc2[nH]nnc2c1 ZINC001755199693 1185850869 /nfs/dbraw/zinc/85/08/69/1185850869.db2.gz BFAAALRIICHTEL-ZDUSSCGKSA-N 1 2 297.362 1.128 20 30 CDEDLO C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc2[nH]nnc2c1 ZINC001755199693 1185850872 /nfs/dbraw/zinc/85/08/72/1185850872.db2.gz BFAAALRIICHTEL-ZDUSSCGKSA-N 1 2 297.362 1.128 20 30 CDEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)C2(C)CCC2)C1 ZINC001755335322 1185923197 /nfs/dbraw/zinc/92/31/97/1185923197.db2.gz CSGZAHGOHZJYLN-UHFFFAOYSA-N 1 2 266.385 1.306 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NC[C@H](CO)[NH2+]Cc1nccs1 ZINC001755638091 1186019541 /nfs/dbraw/zinc/01/95/41/1186019541.db2.gz NMLFSBUJJLJPSJ-BXUZGUMPSA-N 1 2 297.424 1.312 20 30 CDEDLO C=CCCC(=O)NC[C@H](C)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001756008999 1186120610 /nfs/dbraw/zinc/12/06/10/1186120610.db2.gz FRBDESPCULRTNX-LBPRGKRZSA-N 1 2 292.383 1.272 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CCNc1nc(C)cc(C#N)n1 ZINC000872773822 1165478024 /nfs/dbraw/zinc/47/80/24/1165478024.db2.gz WKPBTLLLYNTHIX-CYBMUJFWSA-N 1 2 275.356 1.179 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CCNc1nc(C)cc(C#N)n1 ZINC000872773822 1165478028 /nfs/dbraw/zinc/47/80/28/1165478028.db2.gz WKPBTLLLYNTHIX-CYBMUJFWSA-N 1 2 275.356 1.179 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875619250 1165741796 /nfs/dbraw/zinc/74/17/96/1165741796.db2.gz RMWUIVUHAJAESM-CQSZACIVSA-N 1 2 297.443 1.999 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875619250 1165741804 /nfs/dbraw/zinc/74/18/04/1165741804.db2.gz RMWUIVUHAJAESM-CQSZACIVSA-N 1 2 297.443 1.999 20 30 CDEDLO C=CCNC(=O)NCC1CCN(c2cccc[nH+]2)CC1 ZINC000043976359 1166163075 /nfs/dbraw/zinc/16/30/75/1166163075.db2.gz NZPPAJMAWHWZOG-UHFFFAOYSA-N 1 2 274.368 1.783 20 30 CDEDLO C#CC1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000826046324 1166197929 /nfs/dbraw/zinc/19/79/29/1166197929.db2.gz OELXDGIBUPOSCP-ZIAGYGMSSA-N 1 2 293.411 1.150 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(OC)ns2)[C@H]1C ZINC000993371518 813380592 /nfs/dbraw/zinc/38/05/92/813380592.db2.gz ZOWZQMBJAIVOAQ-GHMZBOCLSA-N 1 2 293.392 1.368 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(OC)ns2)[C@H]1C ZINC000993371518 813380604 /nfs/dbraw/zinc/38/06/04/813380604.db2.gz ZOWZQMBJAIVOAQ-GHMZBOCLSA-N 1 2 293.392 1.368 20 30 CDEDLO C#CCN(C(=O)C(F)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000886577291 813822077 /nfs/dbraw/zinc/82/20/77/813822077.db2.gz COADPKBEFWSOOO-SNVBAGLBSA-N 1 2 280.265 1.443 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(CC)c(F)c1 ZINC000884313816 804995093 /nfs/dbraw/zinc/99/50/93/804995093.db2.gz PYESBIRCCIJNFX-ZDUSSCGKSA-N 1 2 294.326 1.773 20 30 CDEDLO N#CCCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000427610686 805012409 /nfs/dbraw/zinc/01/24/09/805012409.db2.gz VRGKHJHVWMSUHE-UHFFFAOYSA-N 1 2 273.336 1.162 20 30 CDEDLO C=C(C)C[N@H+](C)CN1C(=O)C[C@]2(CCSC2)C1=O ZINC000777959530 805022514 /nfs/dbraw/zinc/02/25/14/805022514.db2.gz OLYLCJBQKBBVPP-ZDUSSCGKSA-N 1 2 268.382 1.334 20 30 CDEDLO C=C(C)C[N@@H+](C)CN1C(=O)C[C@]2(CCSC2)C1=O ZINC000777959530 805022525 /nfs/dbraw/zinc/02/25/25/805022525.db2.gz OLYLCJBQKBBVPP-ZDUSSCGKSA-N 1 2 268.382 1.334 20 30 CDEDLO Cc1nsc(N2CC[NH+](CCOC3CC3)CC2)c1C#N ZINC000930517024 805056399 /nfs/dbraw/zinc/05/63/99/805056399.db2.gz JPYZVZMSDDFNJG-UHFFFAOYSA-N 1 2 292.408 1.624 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ncccc2OC(C)C)C1 ZINC001031327818 805284567 /nfs/dbraw/zinc/28/45/67/805284567.db2.gz HFMBKZIPWHSNPC-UHFFFAOYSA-N 1 2 287.363 1.306 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](C)C1CCCCC1 ZINC000884416401 805306212 /nfs/dbraw/zinc/30/62/12/805306212.db2.gz ALKKWGURNWNJAI-OCCSQVGLSA-N 1 2 296.411 1.766 20 30 CDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cc[nH]c2)CC1 ZINC001004449968 805336518 /nfs/dbraw/zinc/33/65/18/805336518.db2.gz KZJGNCTZBQENMV-HNNXBMFYSA-N 1 2 286.379 1.855 20 30 CDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cc[nH]c2)CC1 ZINC001004449968 805336530 /nfs/dbraw/zinc/33/65/30/805336530.db2.gz KZJGNCTZBQENMV-HNNXBMFYSA-N 1 2 286.379 1.855 20 30 CDEDLO C=C(C)CNC(=S)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788333757 805341735 /nfs/dbraw/zinc/34/17/35/805341735.db2.gz PKDDYCFFEZEXGT-CYBMUJFWSA-N 1 2 277.393 1.985 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2ccccc2c1O ZINC001038446238 811095021 /nfs/dbraw/zinc/09/50/21/811095021.db2.gz ORMZNPCMDCURFB-GFCCVEGCSA-N 1 2 297.358 1.518 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2ccccc2c1O ZINC001038446238 811095034 /nfs/dbraw/zinc/09/50/34/811095034.db2.gz ORMZNPCMDCURFB-GFCCVEGCSA-N 1 2 297.358 1.518 20 30 CDEDLO C[C@@H](C#N)OCC[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000860172628 811141807 /nfs/dbraw/zinc/14/18/07/811141807.db2.gz HKTIOFYFYJVVAZ-NSHDSACASA-N 1 2 264.300 1.949 20 30 CDEDLO C[C@@H](C#N)OCC[N@H+]1CCOc2cc(F)ccc2C1 ZINC000860172628 811141860 /nfs/dbraw/zinc/14/18/60/811141860.db2.gz HKTIOFYFYJVVAZ-NSHDSACASA-N 1 2 264.300 1.949 20 30 CDEDLO CCN(c1cc[nH+]cc1)S(=O)(=O)CC(C)(C)C#N ZINC000787921074 811164214 /nfs/dbraw/zinc/16/42/14/811164214.db2.gz DHAPIMVHVPLWIL-UHFFFAOYSA-N 1 2 267.354 1.787 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnoc2CC)C1 ZINC001008720792 811219723 /nfs/dbraw/zinc/21/97/23/811219723.db2.gz MUMOXTAXCKTNTF-NSHDSACASA-N 1 2 261.325 1.064 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnoc2CC)C1 ZINC001008720792 811219778 /nfs/dbraw/zinc/21/97/78/811219778.db2.gz MUMOXTAXCKTNTF-NSHDSACASA-N 1 2 261.325 1.064 20 30 CDEDLO C=CC1CCN(C(=O)N[C@@H](CC)C[NH+]2CCOCC2)CC1 ZINC000925587359 811344473 /nfs/dbraw/zinc/34/44/73/811344473.db2.gz XWRSCTAPFVLIBF-HNNXBMFYSA-N 1 2 295.427 1.705 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc(OCC#N)c1 ZINC000844949743 811405026 /nfs/dbraw/zinc/40/50/26/811405026.db2.gz VOKLLWBRAPCNLQ-CYBMUJFWSA-N 1 2 289.335 1.174 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc(OCC#N)c1 ZINC000844949743 811405041 /nfs/dbraw/zinc/40/50/41/811405041.db2.gz VOKLLWBRAPCNLQ-CYBMUJFWSA-N 1 2 289.335 1.174 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ncccc2O)[C@@H]1C ZINC000993250982 811497432 /nfs/dbraw/zinc/49/74/32/811497432.db2.gz QZYFPMKUGTYYDT-NWDGAFQWSA-N 1 2 273.336 1.003 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ncccc2O)[C@@H]1C ZINC000993250982 811497471 /nfs/dbraw/zinc/49/74/71/811497471.db2.gz QZYFPMKUGTYYDT-NWDGAFQWSA-N 1 2 273.336 1.003 20 30 CDEDLO N#CCN1CCC[C@@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001028024884 811536575 /nfs/dbraw/zinc/53/65/75/811536575.db2.gz WYMMWCXEWCFIEW-GFCCVEGCSA-N 1 2 283.335 1.052 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC001051143247 811596719 /nfs/dbraw/zinc/59/67/19/811596719.db2.gz RODSWDXWRDIRIN-CHWSQXEVSA-N 1 2 264.369 1.180 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC001051143247 811596736 /nfs/dbraw/zinc/59/67/36/811596736.db2.gz RODSWDXWRDIRIN-CHWSQXEVSA-N 1 2 264.369 1.180 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnnc2ccccc21 ZINC001038748285 811679288 /nfs/dbraw/zinc/67/92/88/811679288.db2.gz FAJDLYBVIVFMMV-GFCCVEGCSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnnc2ccccc21 ZINC001038748285 811679303 /nfs/dbraw/zinc/67/93/03/811679303.db2.gz FAJDLYBVIVFMMV-GFCCVEGCSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc(COC)s2)C1 ZINC000923559234 811691664 /nfs/dbraw/zinc/69/16/64/811691664.db2.gz AFTHJQHVYXWLGJ-LLVKDONJSA-N 1 2 293.392 1.117 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc(COC)s2)C1 ZINC000923559234 811691694 /nfs/dbraw/zinc/69/16/94/811691694.db2.gz AFTHJQHVYXWLGJ-LLVKDONJSA-N 1 2 293.392 1.117 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]c(C)nc2c1 ZINC001038870556 811808709 /nfs/dbraw/zinc/80/87/09/811808709.db2.gz ZRGRTUDOKHSFHV-ZDUSSCGKSA-N 1 2 282.347 1.309 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]c(C)nc2c1 ZINC001038870556 811808710 /nfs/dbraw/zinc/80/87/10/811808710.db2.gz ZRGRTUDOKHSFHV-ZDUSSCGKSA-N 1 2 282.347 1.309 20 30 CDEDLO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1scnc1CC ZINC001024472490 811823179 /nfs/dbraw/zinc/82/31/79/811823179.db2.gz UPBVOAPKDNBOGK-GFCCVEGCSA-N 1 2 291.420 1.923 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1scnc1CC ZINC001024472490 811823183 /nfs/dbraw/zinc/82/31/83/811823183.db2.gz UPBVOAPKDNBOGK-GFCCVEGCSA-N 1 2 291.420 1.923 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000874708518 811839077 /nfs/dbraw/zinc/83/90/77/811839077.db2.gz ORUBYRHLDUOWMW-ZDUSSCGKSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000874708518 811839080 /nfs/dbraw/zinc/83/90/80/811839080.db2.gz ORUBYRHLDUOWMW-ZDUSSCGKSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(OC)nc2)C1 ZINC001030642986 811846400 /nfs/dbraw/zinc/84/64/00/811846400.db2.gz RZSPZNZEUURRHN-UHFFFAOYSA-N 1 2 261.325 1.080 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccncc1)CCO2 ZINC001053127348 811878566 /nfs/dbraw/zinc/87/85/66/811878566.db2.gz GPVIDZFUWUOZTI-UHFFFAOYSA-N 1 2 287.363 1.185 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1C=CCC1)CO2 ZINC001053734717 811926300 /nfs/dbraw/zinc/92/63/00/811926300.db2.gz RHICKPZWQQWYBO-LSDHHAIUSA-N 1 2 290.407 1.878 20 30 CDEDLO COc1ccccc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000819393435 812024603 /nfs/dbraw/zinc/02/46/03/812024603.db2.gz DPDBUJQTOWYXEJ-LBPRGKRZSA-N 1 2 263.341 1.313 20 30 CDEDLO COc1ccccc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000819393435 812024611 /nfs/dbraw/zinc/02/46/11/812024611.db2.gz DPDBUJQTOWYXEJ-LBPRGKRZSA-N 1 2 263.341 1.313 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H]2CCCOC2)C1 ZINC001044305057 812025968 /nfs/dbraw/zinc/02/59/68/812025968.db2.gz CNAXTMBFEKLSJL-CYBMUJFWSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ocnc1C(F)(F)F ZINC001038549946 812055173 /nfs/dbraw/zinc/05/51/73/812055173.db2.gz JSSGXBYISYPHDW-MRVPVSSYSA-N 1 2 289.257 1.684 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ocnc1C(F)(F)F ZINC001038549946 812055174 /nfs/dbraw/zinc/05/51/74/812055174.db2.gz JSSGXBYISYPHDW-MRVPVSSYSA-N 1 2 289.257 1.684 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)n1cccc1 ZINC001032739425 812076148 /nfs/dbraw/zinc/07/61/48/812076148.db2.gz CJLVUVIXUGBUAB-KKUMJFAQSA-N 1 2 271.364 1.358 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)n1cccc1 ZINC001032739425 812076157 /nfs/dbraw/zinc/07/61/57/812076157.db2.gz CJLVUVIXUGBUAB-KKUMJFAQSA-N 1 2 271.364 1.358 20 30 CDEDLO Cn1c[nH+]cc1CN1CCN(c2ccc(F)cc2C#N)CC1 ZINC000877747036 812215501 /nfs/dbraw/zinc/21/55/01/812215501.db2.gz SNUALYHFIJNZHI-UHFFFAOYSA-N 1 2 299.353 1.753 20 30 CDEDLO CCOC(=O)C(CC)(CC)[NH2+]CCO[C@H](C)C#N ZINC000795749341 812237087 /nfs/dbraw/zinc/23/70/87/812237087.db2.gz VGFURSOFYPDKBB-LLVKDONJSA-N 1 2 256.346 1.627 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001030861924 812260381 /nfs/dbraw/zinc/26/03/81/812260381.db2.gz IORWOHLYDXTTGX-UHFFFAOYSA-N 1 2 270.336 1.553 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2CO[C@H](C)C2)CC1 ZINC001000862529 812272398 /nfs/dbraw/zinc/27/23/98/812272398.db2.gz PGZGJOXQEVIBBI-OCCSQVGLSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CO[C@H](C)C2)CC1 ZINC001000862529 812272435 /nfs/dbraw/zinc/27/24/35/812272435.db2.gz PGZGJOXQEVIBBI-OCCSQVGLSA-N 1 2 298.814 1.912 20 30 CDEDLO CC[C@H](C)[C@@H](C(=O)OC)[NH+]1CCN(CCC#N)CC1 ZINC000930116698 812365773 /nfs/dbraw/zinc/36/57/73/812365773.db2.gz OMRKPNBSVFHBQX-STQMWFEESA-N 1 2 267.373 1.105 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001031258253 812369337 /nfs/dbraw/zinc/36/93/37/812369337.db2.gz LHJUPLRGJPWNBH-LBPRGKRZSA-N 1 2 276.405 1.984 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2c(C)n[nH]c2C)C1 ZINC001016237981 812580788 /nfs/dbraw/zinc/58/07/88/812580788.db2.gz MFSGNLSLKCEAGO-GFCCVEGCSA-N 1 2 296.802 1.512 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2c(C)n[nH]c2C)C1 ZINC001016237981 812580811 /nfs/dbraw/zinc/58/08/11/812580811.db2.gz MFSGNLSLKCEAGO-GFCCVEGCSA-N 1 2 296.802 1.512 20 30 CDEDLO C[C@@H](C#N)OCCNc1ccccc1C[NH+]1CCOCC1 ZINC000802741994 812606622 /nfs/dbraw/zinc/60/66/22/812606622.db2.gz XKKDOKMKPIIIDO-AWEZNQCLSA-N 1 2 289.379 1.859 20 30 CDEDLO CCC(CC)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046005884 812638350 /nfs/dbraw/zinc/63/83/50/812638350.db2.gz APFGGYLJLDUVBL-OAHLLOKOSA-N 1 2 292.427 1.165 20 30 CDEDLO COC[C@@]1(C)CC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1 ZINC000853524210 812734964 /nfs/dbraw/zinc/73/49/64/812734964.db2.gz LJFLKQVUIONLHD-HIFRSBDPSA-N 1 2 279.384 1.455 20 30 CDEDLO COC[C@@]1(C)CC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1 ZINC000853524210 812734992 /nfs/dbraw/zinc/73/49/92/812734992.db2.gz LJFLKQVUIONLHD-HIFRSBDPSA-N 1 2 279.384 1.455 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C#CC(C)(C)C ZINC000837584716 812768597 /nfs/dbraw/zinc/76/85/97/812768597.db2.gz NTVNMQIKZBEOMG-CYBMUJFWSA-N 1 2 266.385 1.215 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C)c2ccnn2C)C1 ZINC001042740372 812772405 /nfs/dbraw/zinc/77/24/05/812772405.db2.gz TZMOQFPQHGVHKW-GFCCVEGCSA-N 1 2 276.384 1.242 20 30 CDEDLO Oc1c(F)cc(F)cc1C=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000884442990 812790635 /nfs/dbraw/zinc/79/06/35/812790635.db2.gz WWSAWJHSWJHABH-TXEJJXNPSA-N 1 2 294.305 1.864 20 30 CDEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCOC[C@@H]2CC(F)F)CCC1 ZINC000886202690 812801690 /nfs/dbraw/zinc/80/16/90/812801690.db2.gz BXPVZWZEVQGQDU-NWDGAFQWSA-N 1 2 288.338 1.787 20 30 CDEDLO N#CC1(C[C@@H](O)C[N@H+]2CCOC[C@@H]2CC(F)F)CCC1 ZINC000886202690 812801695 /nfs/dbraw/zinc/80/16/95/812801695.db2.gz BXPVZWZEVQGQDU-NWDGAFQWSA-N 1 2 288.338 1.787 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cn(C)nn1 ZINC001024420062 812831061 /nfs/dbraw/zinc/83/10/61/812831061.db2.gz HVNZRLNMUGJOAG-NSHDSACASA-N 1 2 297.790 1.152 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(C)nn1 ZINC001024420062 812831062 /nfs/dbraw/zinc/83/10/62/812831062.db2.gz HVNZRLNMUGJOAG-NSHDSACASA-N 1 2 297.790 1.152 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2cnccc2c1 ZINC001038514292 812846603 /nfs/dbraw/zinc/84/66/03/812846603.db2.gz AOUHGNGNGYLGQM-HNNXBMFYSA-N 1 2 294.358 1.457 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2cnccc2c1 ZINC001038514292 812846604 /nfs/dbraw/zinc/84/66/04/812846604.db2.gz AOUHGNGNGYLGQM-HNNXBMFYSA-N 1 2 294.358 1.457 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(F)CCCC1 ZINC001032488517 812885048 /nfs/dbraw/zinc/88/50/48/812885048.db2.gz KAIYGOVGSBKUCX-RYUDHWBXSA-N 1 2 252.333 1.740 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(F)CCCC1 ZINC001032488517 812885056 /nfs/dbraw/zinc/88/50/56/812885056.db2.gz KAIYGOVGSBKUCX-RYUDHWBXSA-N 1 2 252.333 1.740 20 30 CDEDLO C=CCCC(=O)COC(=O)C(C)(C)[NH+]1CCCC1 ZINC000805610839 813028136 /nfs/dbraw/zinc/02/81/36/813028136.db2.gz PKLYUYDHKIMQOX-UHFFFAOYSA-N 1 2 253.342 1.939 20 30 CDEDLO CCCCCCCS(=O)(=O)NCc1c[nH+]cn1C ZINC000290064299 813031261 /nfs/dbraw/zinc/03/12/61/813031261.db2.gz CBSFKLVWWXQIMU-UHFFFAOYSA-N 1 2 273.402 1.810 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccn(C)c2C)C1 ZINC001043801404 813031401 /nfs/dbraw/zinc/03/14/01/813031401.db2.gz DAOMHYCKSPFGRX-UHFFFAOYSA-N 1 2 261.369 1.666 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001008230777 813073643 /nfs/dbraw/zinc/07/36/43/813073643.db2.gz DINDOYFZNUDRDH-WUHRBBMRSA-N 1 2 284.787 1.212 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001008230777 813073652 /nfs/dbraw/zinc/07/36/52/813073652.db2.gz DINDOYFZNUDRDH-WUHRBBMRSA-N 1 2 284.787 1.212 20 30 CDEDLO COC[C@@H](C)NN=C1CC[N@H+](Cc2ccccc2)C1 ZINC000777894240 813075569 /nfs/dbraw/zinc/07/55/69/813075569.db2.gz HPNKJUUTQVTCEA-CYBMUJFWSA-N 1 2 261.369 1.873 20 30 CDEDLO COC[C@@H](C)NN=C1CC[N@@H+](Cc2ccccc2)C1 ZINC000777894240 813075572 /nfs/dbraw/zinc/07/55/72/813075572.db2.gz HPNKJUUTQVTCEA-CYBMUJFWSA-N 1 2 261.369 1.873 20 30 CDEDLO COC(=O)c1cncc(C[NH+]2CCC(C#N)CC2)c1 ZINC000929415065 813086931 /nfs/dbraw/zinc/08/69/31/813086931.db2.gz LHOLHXJDWUVXGJ-UHFFFAOYSA-N 1 2 259.309 1.604 20 30 CDEDLO Cc1nn(-c2cccc(C)c2)cc1C=NNC1=[NH+]CCN1 ZINC000844603180 813090036 /nfs/dbraw/zinc/09/00/36/813090036.db2.gz YRSOKLQAFKKCQH-UHFFFAOYSA-N 1 2 282.351 1.372 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC000884142747 813099287 /nfs/dbraw/zinc/09/92/87/813099287.db2.gz KCUMIHOUADJHBC-GVXVVHGQSA-N 1 2 282.384 1.374 20 30 CDEDLO C=CC(C)(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000879306425 813103069 /nfs/dbraw/zinc/10/30/69/813103069.db2.gz WPGQWNXOQKQFMI-NSHDSACASA-N 1 2 279.340 1.212 20 30 CDEDLO C=CC(C)(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000879306425 813103093 /nfs/dbraw/zinc/10/30/93/813103093.db2.gz WPGQWNXOQKQFMI-NSHDSACASA-N 1 2 279.340 1.212 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncnc2ccsc21 ZINC001038321150 813220781 /nfs/dbraw/zinc/22/07/81/813220781.db2.gz GKPQKSPRJWFEKT-SNVBAGLBSA-N 1 2 286.360 1.129 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncnc2ccsc21 ZINC001038321150 813220797 /nfs/dbraw/zinc/22/07/97/813220797.db2.gz GKPQKSPRJWFEKT-SNVBAGLBSA-N 1 2 286.360 1.129 20 30 CDEDLO Cc1cc(CN2CC[NH+](CCO[C@H](C)C#N)CC2)on1 ZINC000801909993 813270015 /nfs/dbraw/zinc/27/00/15/813270015.db2.gz JYKMFUMGDYKCGD-CYBMUJFWSA-N 1 2 278.356 1.029 20 30 CDEDLO C=C(C)C[C@@H](CO)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000882893665 813286674 /nfs/dbraw/zinc/28/66/74/813286674.db2.gz ZFGYDCGWTRORGE-AWEZNQCLSA-N 1 2 287.363 1.629 20 30 CDEDLO C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2cn[nH]c21 ZINC001038259353 813322469 /nfs/dbraw/zinc/32/24/69/813322469.db2.gz AEAQSYFUSMIUDN-KBPBESRZSA-N 1 2 288.395 1.596 20 30 CDEDLO C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2cn[nH]c21 ZINC001038259353 813322474 /nfs/dbraw/zinc/32/24/74/813322474.db2.gz AEAQSYFUSMIUDN-KBPBESRZSA-N 1 2 288.395 1.596 20 30 CDEDLO N#CCN1CCCC[C@@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001024550228 813342928 /nfs/dbraw/zinc/34/29/28/813342928.db2.gz DTOJJDLYMPBCRZ-CYBMUJFWSA-N 1 2 297.362 1.442 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2conc2C(C)C)CC1 ZINC000859003293 813359015 /nfs/dbraw/zinc/35/90/15/813359015.db2.gz JGEOUFALBZTXTG-UHFFFAOYSA-N 1 2 275.352 1.579 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccnn3)[C@@H]2C1 ZINC001076389072 813368735 /nfs/dbraw/zinc/36/87/35/813368735.db2.gz DTTKNFSZKULCNV-WCQYABFASA-N 1 2 292.770 1.375 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccnn3)[C@@H]2C1 ZINC001076389072 813368743 /nfs/dbraw/zinc/36/87/43/813368743.db2.gz DTTKNFSZKULCNV-WCQYABFASA-N 1 2 292.770 1.375 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccsc1COC ZINC001038403649 813377520 /nfs/dbraw/zinc/37/75/20/813377520.db2.gz KRDJWBZKXLZOTC-GFCCVEGCSA-N 1 2 292.404 1.722 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccsc1COC ZINC001038403649 813377529 /nfs/dbraw/zinc/37/75/29/813377529.db2.gz KRDJWBZKXLZOTC-GFCCVEGCSA-N 1 2 292.404 1.722 20 30 CDEDLO NC(=[NH+]OCC(=O)N1CCCCCC1)c1ccccc1 ZINC000072807246 813378226 /nfs/dbraw/zinc/37/82/26/813378226.db2.gz JRJWQHIEHDMPNI-UHFFFAOYSA-N 1 2 275.352 1.726 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]nc(C)c2c1 ZINC001038500600 813393100 /nfs/dbraw/zinc/39/31/00/813393100.db2.gz OIWGOYSPOJMAGZ-CQSZACIVSA-N 1 2 296.374 1.699 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]nc(C)c2c1 ZINC001038500600 813393117 /nfs/dbraw/zinc/39/31/17/813393117.db2.gz OIWGOYSPOJMAGZ-CQSZACIVSA-N 1 2 296.374 1.699 20 30 CDEDLO N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C/C=C\Cl)[nH]1 ZINC001032361481 813416817 /nfs/dbraw/zinc/41/68/17/813416817.db2.gz PNHQXBDAMVYECT-QDVPRMJBSA-N 1 2 290.754 1.538 20 30 CDEDLO N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C/C=C\Cl)[nH]1 ZINC001032361481 813416858 /nfs/dbraw/zinc/41/68/58/813416858.db2.gz PNHQXBDAMVYECT-QDVPRMJBSA-N 1 2 290.754 1.538 20 30 CDEDLO COCc1noc(CO[NH+]=C(N)c2ccccc2)n1 ZINC000183119153 813419754 /nfs/dbraw/zinc/41/97/54/813419754.db2.gz ARMRCVFJLWGWSI-UHFFFAOYSA-N 1 2 262.269 1.053 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c[nH]c3ncccc23)C1 ZINC001044308235 813474009 /nfs/dbraw/zinc/47/40/09/813474009.db2.gz CWIXPUMLHOYKRM-UHFFFAOYSA-N 1 2 284.363 1.895 20 30 CDEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cc(CO)on1 ZINC000812225647 813486554 /nfs/dbraw/zinc/48/65/54/813486554.db2.gz LVGNQAVPCGWDTA-UHFFFAOYSA-N 1 2 282.303 1.973 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccn3cc(C)nc3c2)C1 ZINC001043866494 813654471 /nfs/dbraw/zinc/65/44/71/813654471.db2.gz VBEOACJFEQEWBY-UHFFFAOYSA-N 1 2 298.390 1.975 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2nc(COC(C)C)no2)CC1 ZINC000931750661 813722501 /nfs/dbraw/zinc/72/25/01/813722501.db2.gz MDRGITMDHGAPQA-UHFFFAOYSA-N 1 2 295.383 1.898 20 30 CDEDLO COc1cc(C)nc(N=NCc2[nH]c(C)c(C)[nH+]2)n1 ZINC000853313312 813805595 /nfs/dbraw/zinc/80/55/95/813805595.db2.gz FNPPCIPQPKRSFU-UHFFFAOYSA-N 1 2 260.301 1.580 20 30 CDEDLO Cn1c(CC#N)nn(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1=S ZINC000794632730 813809390 /nfs/dbraw/zinc/80/93/90/813809390.db2.gz LEUURDQVGBYTEE-AOOOYVTPSA-N 1 2 277.397 1.562 20 30 CDEDLO Cn1c(CC#N)nn(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1=S ZINC000794632730 813809392 /nfs/dbraw/zinc/80/93/92/813809392.db2.gz LEUURDQVGBYTEE-AOOOYVTPSA-N 1 2 277.397 1.562 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)nc1OC ZINC001018033716 813812759 /nfs/dbraw/zinc/81/27/59/813812759.db2.gz CFZJHSWGOWAUDO-OKILXGFUSA-N 1 2 299.374 1.321 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)nc1OC ZINC001018033716 813812760 /nfs/dbraw/zinc/81/27/60/813812760.db2.gz CFZJHSWGOWAUDO-OKILXGFUSA-N 1 2 299.374 1.321 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](CN2C[C@H](c3ccccn3)CC2=O)C1 ZINC000853524859 813813800 /nfs/dbraw/zinc/81/38/00/813813800.db2.gz QZUCBRHRWIHCKF-LSDHHAIUSA-N 1 2 298.390 1.981 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](CN2C[C@H](c3ccccn3)CC2=O)C1 ZINC000853524859 813813802 /nfs/dbraw/zinc/81/38/02/813813802.db2.gz QZUCBRHRWIHCKF-LSDHHAIUSA-N 1 2 298.390 1.981 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(-c3ccccn3)no2)C1 ZINC001015906839 813816964 /nfs/dbraw/zinc/81/69/64/813816964.db2.gz BCYLGPPWVHGAKH-GFCCVEGCSA-N 1 2 296.330 1.174 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3ccccn3)no2)C1 ZINC001015906839 813816967 /nfs/dbraw/zinc/81/69/67/813816967.db2.gz BCYLGPPWVHGAKH-GFCCVEGCSA-N 1 2 296.330 1.174 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001030481646 813817181 /nfs/dbraw/zinc/81/71/81/813817181.db2.gz PCNFTLPPHDGKAN-UHFFFAOYSA-N 1 2 268.320 1.000 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1(c2ccccc2)CC1 ZINC000884120964 813828314 /nfs/dbraw/zinc/82/83/14/813828314.db2.gz ALQXMQCAJOSBTN-ZDUSSCGKSA-N 1 2 288.347 1.239 20 30 CDEDLO COCC#CC[N@@H+]1CCc2cc(O)c(OC)cc2C1 ZINC000887106644 813840672 /nfs/dbraw/zinc/84/06/72/813840672.db2.gz ICJDFYHRPFMKCR-UHFFFAOYSA-N 1 2 261.321 1.409 20 30 CDEDLO COCC#CC[N@H+]1CCc2cc(O)c(OC)cc2C1 ZINC000887106644 813840674 /nfs/dbraw/zinc/84/06/74/813840674.db2.gz ICJDFYHRPFMKCR-UHFFFAOYSA-N 1 2 261.321 1.409 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccon3)[C@@H]2C1 ZINC001075582922 813849061 /nfs/dbraw/zinc/84/90/61/813849061.db2.gz SEDODESHBCYEBF-CMPLNLGQSA-N 1 2 281.743 1.573 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccon3)[C@@H]2C1 ZINC001075582922 813849063 /nfs/dbraw/zinc/84/90/63/813849063.db2.gz SEDODESHBCYEBF-CMPLNLGQSA-N 1 2 281.743 1.573 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cccnc2C)C1 ZINC001015698904 813849558 /nfs/dbraw/zinc/84/95/58/813849558.db2.gz QZKAROMGHGULQK-AWEZNQCLSA-N 1 2 293.798 1.876 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cccnc2C)C1 ZINC001015698904 813849559 /nfs/dbraw/zinc/84/95/59/813849559.db2.gz QZKAROMGHGULQK-AWEZNQCLSA-N 1 2 293.798 1.876 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncoc1C1CC1 ZINC001032715429 813854664 /nfs/dbraw/zinc/85/46/64/813854664.db2.gz BGPHOADTEXISJD-RYUDHWBXSA-N 1 2 273.336 1.637 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncoc1C1CC1 ZINC001032715429 813854668 /nfs/dbraw/zinc/85/46/68/813854668.db2.gz BGPHOADTEXISJD-RYUDHWBXSA-N 1 2 273.336 1.637 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cnco2)cc1 ZINC001038565780 813855861 /nfs/dbraw/zinc/85/58/61/813855861.db2.gz YBEFBIGJCYLNIG-CQSZACIVSA-N 1 2 296.330 1.551 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cnco2)cc1 ZINC001038565780 813855862 /nfs/dbraw/zinc/85/58/62/813855862.db2.gz YBEFBIGJCYLNIG-CQSZACIVSA-N 1 2 296.330 1.551 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cccnc2)C1 ZINC001033004280 813868801 /nfs/dbraw/zinc/86/88/01/813868801.db2.gz HLEYFERSJUNABY-CQSZACIVSA-N 1 2 293.798 1.909 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cccnc2)C1 ZINC001033004280 813868803 /nfs/dbraw/zinc/86/88/03/813868803.db2.gz HLEYFERSJUNABY-CQSZACIVSA-N 1 2 293.798 1.909 20 30 CDEDLO C=C1CCC(C(=O)NC2C[NH+]([C@H](C)COC)C2)CC1 ZINC001030903654 813875074 /nfs/dbraw/zinc/87/50/74/813875074.db2.gz PWRCULBZJHTQQD-GFCCVEGCSA-N 1 2 266.385 1.568 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2ocnc2C(F)(F)F)C1 ZINC001015390135 813880396 /nfs/dbraw/zinc/88/03/96/813880396.db2.gz ANSVYRRYRZKNFC-QMMMGPOBSA-N 1 2 287.241 1.131 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2ocnc2C(F)(F)F)C1 ZINC001015390135 813880397 /nfs/dbraw/zinc/88/03/97/813880397.db2.gz ANSVYRRYRZKNFC-QMMMGPOBSA-N 1 2 287.241 1.131 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(N(C)C)c2)C1 ZINC001031305716 813894471 /nfs/dbraw/zinc/89/44/71/813894471.db2.gz HWNJFQXXIDKFLQ-UHFFFAOYSA-N 1 2 271.364 1.190 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2ccccc2C1 ZINC000884043891 813895124 /nfs/dbraw/zinc/89/51/24/813895124.db2.gz NHWMRQPKDWKCKW-AWEZNQCLSA-N 1 2 288.347 1.018 20 30 CDEDLO CN(CCC#N)c1ccc(C[N@H+](C)Cc2cn(C)nn2)cc1 ZINC000827305732 814021747 /nfs/dbraw/zinc/02/17/47/814021747.db2.gz YHHGGZCIHMYBNA-UHFFFAOYSA-N 1 2 298.394 1.797 20 30 CDEDLO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2cn(C)nn2)cc1 ZINC000827305732 814021752 /nfs/dbraw/zinc/02/17/52/814021752.db2.gz YHHGGZCIHMYBNA-UHFFFAOYSA-N 1 2 298.394 1.797 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C)c1 ZINC001032263800 814080943 /nfs/dbraw/zinc/08/09/43/814080943.db2.gz ZJCSOMWXZWBFLO-HOTGVXAUSA-N 1 2 268.360 1.917 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C)c1 ZINC001032263800 814080953 /nfs/dbraw/zinc/08/09/53/814080953.db2.gz ZJCSOMWXZWBFLO-HOTGVXAUSA-N 1 2 268.360 1.917 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccnc3ccccc32)C1 ZINC001030632591 814089552 /nfs/dbraw/zinc/08/95/52/814089552.db2.gz VGQPLMSDIOYDAK-UHFFFAOYSA-N 1 2 279.343 1.672 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2CO[C@@H](C)C2)CC1 ZINC001000862527 814117524 /nfs/dbraw/zinc/11/75/24/814117524.db2.gz PGZGJOXQEVIBBI-JSGCOSHPSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CO[C@@H](C)C2)CC1 ZINC001000862527 814117543 /nfs/dbraw/zinc/11/75/43/814117543.db2.gz PGZGJOXQEVIBBI-JSGCOSHPSA-N 1 2 298.814 1.912 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000846988944 814159992 /nfs/dbraw/zinc/15/99/92/814159992.db2.gz WYFNSLZMIKPNCL-CQSZACIVSA-N 1 2 288.395 1.651 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001031425709 814180271 /nfs/dbraw/zinc/18/02/71/814180271.db2.gz IOUGVDDNTYSZDS-CQSZACIVSA-N 1 2 270.376 1.922 20 30 CDEDLO C#CC1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000826715946 814196135 /nfs/dbraw/zinc/19/61/35/814196135.db2.gz SIRDXMLAOKTDMJ-UHFFFAOYSA-N 1 2 256.353 1.926 20 30 CDEDLO C#CC1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000826715946 814196137 /nfs/dbraw/zinc/19/61/37/814196137.db2.gz SIRDXMLAOKTDMJ-UHFFFAOYSA-N 1 2 256.353 1.926 20 30 CDEDLO N#CCN1CCC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001023486822 814216191 /nfs/dbraw/zinc/21/61/91/814216191.db2.gz VDIYXGASEVYUIJ-CYBMUJFWSA-N 1 2 297.362 1.300 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC2(C)C)C1 ZINC001035334097 814239005 /nfs/dbraw/zinc/23/90/05/814239005.db2.gz PAJHHHXAVWKASD-QWHCGFSZSA-N 1 2 266.385 1.426 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC2(C)C)C1 ZINC001035334097 814239022 /nfs/dbraw/zinc/23/90/22/814239022.db2.gz PAJHHHXAVWKASD-QWHCGFSZSA-N 1 2 266.385 1.426 20 30 CDEDLO C[C@@H](C#N)OCC[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000801943498 814272623 /nfs/dbraw/zinc/27/26/23/814272623.db2.gz XBVUWXHWCYESQZ-LBPRGKRZSA-N 1 2 282.388 1.041 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc(F)c[nH]1)CCO2 ZINC001053344733 814282585 /nfs/dbraw/zinc/28/25/85/814282585.db2.gz IDSWLPXBNPSKPJ-UHFFFAOYSA-N 1 2 293.342 1.257 20 30 CDEDLO CC(N=Nc1cnnn1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000814981408 814297160 /nfs/dbraw/zinc/29/71/60/814297160.db2.gz GXCKDUFKAIBYQG-UHFFFAOYSA-N 1 2 281.323 1.837 20 30 CDEDLO CC(C)[C@H](C)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046069787 814315671 /nfs/dbraw/zinc/31/56/71/814315671.db2.gz IWQNDYORVMNNFT-GJZGRUSLSA-N 1 2 292.427 1.021 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cn(CC3CC3)nn2)C1 ZINC001044100597 814375092 /nfs/dbraw/zinc/37/50/92/814375092.db2.gz RYGCETNJLOQETF-UHFFFAOYSA-N 1 2 289.383 1.020 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC001038796278 814438965 /nfs/dbraw/zinc/43/89/65/814438965.db2.gz QUSNXIFGLJKYBL-BHYGNILZSA-N 1 2 298.386 1.622 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC001038796278 814438981 /nfs/dbraw/zinc/43/89/81/814438981.db2.gz QUSNXIFGLJKYBL-BHYGNILZSA-N 1 2 298.386 1.622 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CC2CCOCC2)C1 ZINC001042557519 814504340 /nfs/dbraw/zinc/50/43/40/814504340.db2.gz CRJWEYKHECNIAG-UHFFFAOYSA-N 1 2 266.385 1.522 20 30 CDEDLO C#Cc1cccc(C[NH2+]Cc2nn(CC)nc2C)c1 ZINC000825226890 814508265 /nfs/dbraw/zinc/50/82/65/814508265.db2.gz NUQRGBTVTOXYCC-UHFFFAOYSA-N 1 2 254.337 1.878 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2CC(OC)C2)C1 ZINC001007553644 814527264 /nfs/dbraw/zinc/52/72/64/814527264.db2.gz DIGZKHGNRIANHQ-OTTFEQOBSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2CC(OC)C2)C1 ZINC001007553644 814527274 /nfs/dbraw/zinc/52/72/74/814527274.db2.gz DIGZKHGNRIANHQ-OTTFEQOBSA-N 1 2 286.803 1.745 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1nccc(OC)c1OC)[C@@H]1CCCO1 ZINC000789385532 814625380 /nfs/dbraw/zinc/62/53/80/814625380.db2.gz ATCRUUZRUBMQBT-YPMHNXCESA-N 1 2 276.336 1.369 20 30 CDEDLO COc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000819389225 814636338 /nfs/dbraw/zinc/63/63/38/814636338.db2.gz LFWIHDIGUFICPW-CYBMUJFWSA-N 1 2 263.341 1.313 20 30 CDEDLO COc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000819389225 814636343 /nfs/dbraw/zinc/63/63/43/814636343.db2.gz LFWIHDIGUFICPW-CYBMUJFWSA-N 1 2 263.341 1.313 20 30 CDEDLO C[C@H]([NH2+][C@H](CO)C[C@H]1CCCO1)c1cccc(C#N)c1O ZINC000886671991 814676502 /nfs/dbraw/zinc/67/65/02/814676502.db2.gz HLCYWJQQWQOECZ-FPMFFAJLSA-N 1 2 290.363 1.844 20 30 CDEDLO CCCCCCCNC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000859266133 814730766 /nfs/dbraw/zinc/73/07/66/814730766.db2.gz FGGMQHVYYQEGKF-UHFFFAOYSA-N 1 2 283.416 1.237 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccncc2)C1 ZINC001035265922 814733566 /nfs/dbraw/zinc/73/35/66/814733566.db2.gz CPSXYXXGRQWGCF-AWEZNQCLSA-N 1 2 275.352 1.088 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccncc2)C1 ZINC001035265922 814733570 /nfs/dbraw/zinc/73/35/70/814733570.db2.gz CPSXYXXGRQWGCF-AWEZNQCLSA-N 1 2 275.352 1.088 20 30 CDEDLO C=CCC1(O)CC[NH+]([C@@H](C)c2nc(C(=O)OC)co2)CC1 ZINC000886780432 816760814 /nfs/dbraw/zinc/76/08/14/816760814.db2.gz MZNUDGOSBULGBN-NSHDSACASA-N 1 2 294.351 1.925 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccncc2C)C1 ZINC001042693992 816846796 /nfs/dbraw/zinc/84/67/96/816846796.db2.gz ICTHPQWCNCARGQ-UHFFFAOYSA-N 1 2 259.353 1.722 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccncn3)[C@@H]2C1 ZINC001076371997 816867726 /nfs/dbraw/zinc/86/77/26/816867726.db2.gz FBCVCMTVXKWZRC-WCQYABFASA-N 1 2 292.770 1.375 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccncn3)[C@@H]2C1 ZINC001076371997 816867733 /nfs/dbraw/zinc/86/77/33/816867733.db2.gz FBCVCMTVXKWZRC-WCQYABFASA-N 1 2 292.770 1.375 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCCN(C(=O)CC)C2)C1 ZINC001030356854 816881259 /nfs/dbraw/zinc/88/12/59/816881259.db2.gz CZVQMNJWMDSBDJ-CYBMUJFWSA-N 1 2 293.411 1.012 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cncnc1C ZINC001027764074 816886365 /nfs/dbraw/zinc/88/63/65/816886365.db2.gz QJYWRKULCULVIO-LBPRGKRZSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cncnc1C ZINC001027764074 816886374 /nfs/dbraw/zinc/88/63/74/816886374.db2.gz QJYWRKULCULVIO-LBPRGKRZSA-N 1 2 294.786 1.732 20 30 CDEDLO CC#CCC[N@@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879762814 816887117 /nfs/dbraw/zinc/88/71/17/816887117.db2.gz FWUUKTWBTRRRLW-NSHDSACASA-N 1 2 262.275 1.543 20 30 CDEDLO CC#CCC[N@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879762814 816887124 /nfs/dbraw/zinc/88/71/24/816887124.db2.gz FWUUKTWBTRRRLW-NSHDSACASA-N 1 2 262.275 1.543 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C(C)C ZINC001017822252 816897815 /nfs/dbraw/zinc/89/78/15/816897815.db2.gz VQGPBVZRISBUKQ-FRRDWIJNSA-N 1 2 254.349 1.842 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C(C)C ZINC001017822252 816897816 /nfs/dbraw/zinc/89/78/16/816897816.db2.gz VQGPBVZRISBUKQ-FRRDWIJNSA-N 1 2 254.349 1.842 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2oc(C(C)C)nc2C)C1 ZINC001044025187 816899895 /nfs/dbraw/zinc/89/98/95/816899895.db2.gz HZEMKURIMHRTEF-UHFFFAOYSA-N 1 2 289.379 1.886 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3nnc(C)n3c2)C1 ZINC001030582808 816942701 /nfs/dbraw/zinc/94/27/01/816942701.db2.gz OSTKRKUINZUAIX-UHFFFAOYSA-N 1 2 285.351 1.028 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)CCC(C)C ZINC000884047457 816991959 /nfs/dbraw/zinc/99/19/59/816991959.db2.gz VBIQYAYSVBHMFY-RYUDHWBXSA-N 1 2 270.373 1.374 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1CC1)O2 ZINC001053556915 817006527 /nfs/dbraw/zinc/00/65/27/817006527.db2.gz VXGXCIVAKGXRGO-ZDUSSCGKSA-N 1 2 264.369 1.322 20 30 CDEDLO N#CCCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883656115 817007021 /nfs/dbraw/zinc/00/70/21/817007021.db2.gz TWNUUNAPECRZLP-AWEZNQCLSA-N 1 2 283.335 1.837 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1C ZINC001017459521 817076924 /nfs/dbraw/zinc/07/69/24/817076924.db2.gz YMYUOFNWTJVQJQ-OKILXGFUSA-N 1 2 271.364 1.635 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1C ZINC001017459521 817076928 /nfs/dbraw/zinc/07/69/28/817076928.db2.gz YMYUOFNWTJVQJQ-OKILXGFUSA-N 1 2 271.364 1.635 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ncoc1C)CCO2 ZINC001053173726 817153559 /nfs/dbraw/zinc/15/35/59/817153559.db2.gz IUMOIWNMJODCAC-UHFFFAOYSA-N 1 2 291.351 1.086 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)CN2CCCCCCC2=O)C1 ZINC001030402055 817204904 /nfs/dbraw/zinc/20/49/04/817204904.db2.gz KPTYIGKHSZNUAH-UHFFFAOYSA-N 1 2 293.411 1.156 20 30 CDEDLO COc1cc(F)c(F)cc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000819486071 817242345 /nfs/dbraw/zinc/24/23/45/817242345.db2.gz NNKXMKWZWDGHDD-SNVBAGLBSA-N 1 2 299.321 1.592 20 30 CDEDLO COc1cc(F)c(F)cc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000819486071 817242353 /nfs/dbraw/zinc/24/23/53/817242353.db2.gz NNKXMKWZWDGHDD-SNVBAGLBSA-N 1 2 299.321 1.592 20 30 CDEDLO C=C[C@H](CC)CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000935713125 817282723 /nfs/dbraw/zinc/28/27/23/817282723.db2.gz PGOYVIRHLLWBAU-UONOGXRCSA-N 1 2 268.401 1.768 20 30 CDEDLO C[NH+]1CCC(C#N)(NC(=O)c2cccc(F)c2O)CC1 ZINC000932178200 817303313 /nfs/dbraw/zinc/30/33/13/817303313.db2.gz KVMKQDAHKLDZMH-UHFFFAOYSA-N 1 2 277.299 1.249 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)C3=COCCC3)cc2C1 ZINC001054257482 817307375 /nfs/dbraw/zinc/30/73/75/817307375.db2.gz LOXXEHVYCLHHEV-UHFFFAOYSA-N 1 2 296.370 1.946 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)C3=COCCC3)cc2C1 ZINC001054257482 817307384 /nfs/dbraw/zinc/30/73/84/817307384.db2.gz LOXXEHVYCLHHEV-UHFFFAOYSA-N 1 2 296.370 1.946 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccoc2CCC)C1 ZINC001035578320 817335593 /nfs/dbraw/zinc/33/55/93/817335593.db2.gz WFIWTRZKJVXGEC-ZDUSSCGKSA-N 1 2 292.379 1.849 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccoc2CCC)C1 ZINC001035578320 817335603 /nfs/dbraw/zinc/33/56/03/817335603.db2.gz WFIWTRZKJVXGEC-ZDUSSCGKSA-N 1 2 292.379 1.849 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccccn3)C[C@H]21 ZINC001074144465 817346052 /nfs/dbraw/zinc/34/60/52/817346052.db2.gz QJHCLIOFKAYSMV-CVEARBPZSA-N 1 2 299.374 1.020 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccccn3)C[C@H]21 ZINC001074144465 817346059 /nfs/dbraw/zinc/34/60/59/817346059.db2.gz QJHCLIOFKAYSMV-CVEARBPZSA-N 1 2 299.374 1.020 20 30 CDEDLO C=CCN(CCOC)c1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000893461949 817353984 /nfs/dbraw/zinc/35/39/84/817353984.db2.gz UQFQKUBIBNJUAY-GFCCVEGCSA-N 1 2 280.372 1.298 20 30 CDEDLO C=CCN(CCOC)c1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000893461949 817353999 /nfs/dbraw/zinc/35/39/99/817353999.db2.gz UQFQKUBIBNJUAY-GFCCVEGCSA-N 1 2 280.372 1.298 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001039063113 817382495 /nfs/dbraw/zinc/38/24/95/817382495.db2.gz IKMRYJVRFCRLPZ-RUXDESIVSA-N 1 2 262.397 1.882 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001039063113 817382502 /nfs/dbraw/zinc/38/25/02/817382502.db2.gz IKMRYJVRFCRLPZ-RUXDESIVSA-N 1 2 262.397 1.882 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccncc1Cl ZINC001038735315 817514697 /nfs/dbraw/zinc/51/46/97/817514697.db2.gz GZBNYKZKSJFLIZ-LLVKDONJSA-N 1 2 277.755 1.562 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccncc1Cl ZINC001038735315 817514700 /nfs/dbraw/zinc/51/47/00/817514700.db2.gz GZBNYKZKSJFLIZ-LLVKDONJSA-N 1 2 277.755 1.562 20 30 CDEDLO C#C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000843968663 817725729 /nfs/dbraw/zinc/72/57/29/817725729.db2.gz YTFLQRSRHAEEBJ-HUUCEWRRSA-N 1 2 279.343 1.936 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COC1CCCC1 ZINC001017381875 817729539 /nfs/dbraw/zinc/72/95/39/817729539.db2.gz RCZGNSLBSFCZRC-GASCZTMLSA-N 1 2 290.407 1.644 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COC1CCCC1 ZINC001017381875 817729553 /nfs/dbraw/zinc/72/95/53/817729553.db2.gz RCZGNSLBSFCZRC-GASCZTMLSA-N 1 2 290.407 1.644 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CCC1 ZINC001017652219 817789851 /nfs/dbraw/zinc/78/98/51/817789851.db2.gz ZDIWJVQHSBIWQH-AEGPPILISA-N 1 2 260.381 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CCC1 ZINC001017652219 817789870 /nfs/dbraw/zinc/78/98/70/817789870.db2.gz ZDIWJVQHSBIWQH-AEGPPILISA-N 1 2 260.381 1.731 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCC(=O)N2CCCCC2)cc1 ZINC000047538654 817797948 /nfs/dbraw/zinc/79/79/48/817797948.db2.gz JFEJSCJBUITIAF-UHFFFAOYSA-N 1 2 291.351 1.345 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001007547718 817809743 /nfs/dbraw/zinc/80/97/43/817809743.db2.gz QOPPGLYWHBUKBS-NSHDSACASA-N 1 2 296.758 1.129 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001007547718 817809744 /nfs/dbraw/zinc/80/97/44/817809744.db2.gz QOPPGLYWHBUKBS-NSHDSACASA-N 1 2 296.758 1.129 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCc2ccc(NC(C)=O)cc2C1 ZINC000880029264 817842930 /nfs/dbraw/zinc/84/29/30/817842930.db2.gz UAFMNWSQMMJVPX-UHFFFAOYSA-N 1 2 287.363 1.305 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCc2ccc(NC(C)=O)cc2C1 ZINC000880029264 817842932 /nfs/dbraw/zinc/84/29/32/817842932.db2.gz UAFMNWSQMMJVPX-UHFFFAOYSA-N 1 2 287.363 1.305 20 30 CDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC2(F)F)CC1 ZINC001004437107 817849174 /nfs/dbraw/zinc/84/91/74/817849174.db2.gz RPVHWNBVMICNLT-QWHCGFSZSA-N 1 2 297.349 1.868 20 30 CDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC2(F)F)CC1 ZINC001004437107 817849176 /nfs/dbraw/zinc/84/91/76/817849176.db2.gz RPVHWNBVMICNLT-QWHCGFSZSA-N 1 2 297.349 1.868 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)c2ncccc2O)C1 ZINC001028501211 817879238 /nfs/dbraw/zinc/87/92/38/817879238.db2.gz WBYWZFMCMPEGRY-NSHDSACASA-N 1 2 295.770 1.591 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)c2ncccc2O)C1 ZINC001028501211 817879243 /nfs/dbraw/zinc/87/92/43/817879243.db2.gz WBYWZFMCMPEGRY-NSHDSACASA-N 1 2 295.770 1.591 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)cc1 ZINC000879586746 817887269 /nfs/dbraw/zinc/88/72/69/817887269.db2.gz SISNODRLLKCOPR-CYBMUJFWSA-N 1 2 299.296 1.603 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ncccn2)C1 ZINC001033518727 817889409 /nfs/dbraw/zinc/88/94/09/817889409.db2.gz HIIFNOZBQRHYKZ-NSHDSACASA-N 1 2 280.759 1.375 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ncccn2)C1 ZINC001033518727 817889414 /nfs/dbraw/zinc/88/94/14/817889414.db2.gz HIIFNOZBQRHYKZ-NSHDSACASA-N 1 2 280.759 1.375 20 30 CDEDLO C=CCCCCNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000922023783 817891713 /nfs/dbraw/zinc/89/17/13/817891713.db2.gz BHHMDNRRMVVJIS-AWEZNQCLSA-N 1 2 283.416 1.753 20 30 CDEDLO C#CCC[NH+]1CCN(C[C@H](CC(C)C)OC)CC1 ZINC000842153934 817897291 /nfs/dbraw/zinc/89/72/91/817897291.db2.gz POQYWJHUDDIAJX-HNNXBMFYSA-N 1 2 252.402 1.688 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@H]1CC)O2 ZINC001053667323 817973628 /nfs/dbraw/zinc/97/36/28/817973628.db2.gz QWVNVGXHJKPYHU-HZSPNIEDSA-N 1 2 278.396 1.568 20 30 CDEDLO N#CC1(CC(=O)N=S2(=O)CC[NH2+]CC2)CCCCC1 ZINC001574242853 1167631789 /nfs/dbraw/zinc/63/17/89/1167631789.db2.gz ZJQLLVVAMMQFRV-UHFFFAOYSA-N 1 2 283.397 1.448 20 30 CDEDLO COC(=O)C[C@H]([NH2+]C1CCC(CC#N)CC1)C(=O)OC ZINC001173326267 912423798 /nfs/dbraw/zinc/42/37/98/912423798.db2.gz VZHWRZMEHCBLAW-MCIGGMRASA-N 1 2 282.340 1.153 20 30 CDEDLO COc1nccc(C[NH2+]Cc2cc(C#N)ccc2F)n1 ZINC001364996351 912492566 /nfs/dbraw/zinc/49/25/66/912492566.db2.gz XJJYTPWHXYFSQZ-UHFFFAOYSA-N 1 2 272.283 1.786 20 30 CDEDLO C#CCN1CCC2(CC[NH+](Cc3cc(C)[nH]n3)CC2)C1=O ZINC001272545460 913408343 /nfs/dbraw/zinc/40/83/43/913408343.db2.gz ZKCMZRWOVPAXJJ-UHFFFAOYSA-N 1 2 286.379 1.166 20 30 CDEDLO C#Cc1nc(Br)cnc1N=C1CCC[N@@H+](C)C1 ZINC001175575315 913685158 /nfs/dbraw/zinc/68/51/58/913685158.db2.gz RLOPTTYSAJWOMR-UHFFFAOYSA-N 1 2 293.168 1.852 20 30 CDEDLO C#Cc1nc(Br)cnc1N=C1CCC[N@H+](C)C1 ZINC001175575315 913685161 /nfs/dbraw/zinc/68/51/61/913685161.db2.gz RLOPTTYSAJWOMR-UHFFFAOYSA-N 1 2 293.168 1.852 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccn[nH]1)C1CC1 ZINC001266584000 895460199 /nfs/dbraw/zinc/46/01/99/895460199.db2.gz QPRMSEVBWRUBLO-UHFFFAOYSA-N 1 2 268.748 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccn[nH]1)C1CC1 ZINC001266584000 895460208 /nfs/dbraw/zinc/46/02/08/895460208.db2.gz QPRMSEVBWRUBLO-UHFFFAOYSA-N 1 2 268.748 1.356 20 30 CDEDLO Cc1nc(Cl)c(C#N)c(NCc2cc[nH+]c(N)c2)n1 ZINC001167613750 897036965 /nfs/dbraw/zinc/03/69/65/897036965.db2.gz MGEGJZVBTUQXBO-UHFFFAOYSA-N 1 2 274.715 1.899 20 30 CDEDLO C#CCCCCCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000780588163 914125219 /nfs/dbraw/zinc/12/52/19/914125219.db2.gz FDRLGDNPBJTYLU-INIZCTEOSA-N 1 2 292.423 1.893 20 30 CDEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)C)C[C@H]21 ZINC001176911982 914391783 /nfs/dbraw/zinc/39/17/83/914391783.db2.gz FUDGBHCJVXXHRO-HUUCEWRRSA-N 1 2 296.411 1.147 20 30 CDEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)C)C[C@H]21 ZINC001176911982 914391794 /nfs/dbraw/zinc/39/17/94/914391794.db2.gz FUDGBHCJVXXHRO-HUUCEWRRSA-N 1 2 296.411 1.147 20 30 CDEDLO Cc1nc(N[C@@H](CNC(=O)[C@@H](C)C#N)C(C)C)cc[nH+]1 ZINC001105137309 899931828 /nfs/dbraw/zinc/93/18/28/899931828.db2.gz CXPJZYLNZQTTJM-JQWIXIFHSA-N 1 2 275.356 1.497 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2ccon2)C1 ZINC001027330325 900436976 /nfs/dbraw/zinc/43/69/76/900436976.db2.gz NIIAXEWPBFKLSN-AAEUAGOBSA-N 1 2 276.340 1.257 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccon2)C1 ZINC001027330325 900436978 /nfs/dbraw/zinc/43/69/78/900436978.db2.gz NIIAXEWPBFKLSN-AAEUAGOBSA-N 1 2 276.340 1.257 20 30 CDEDLO Cc1nc(N2CC[C@H](NC(=O)C#CC3CC3)[C@@H](C)C2)cc[nH+]1 ZINC001112407315 914479580 /nfs/dbraw/zinc/47/95/80/914479580.db2.gz NBFHUSZDTZINAD-WFASDCNBSA-N 1 2 298.390 1.529 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCn2ccnn2)C1 ZINC001481524776 901067833 /nfs/dbraw/zinc/06/78/33/901067833.db2.gz SGPBMRCRKPBKCV-GFCCVEGCSA-N 1 2 297.790 1.001 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCn2ccnn2)C1 ZINC001481524776 901067839 /nfs/dbraw/zinc/06/78/39/901067839.db2.gz SGPBMRCRKPBKCV-GFCCVEGCSA-N 1 2 297.790 1.001 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CCOC)C1 ZINC001481710827 901887432 /nfs/dbraw/zinc/88/74/32/901887432.db2.gz RRMLOTDDAHVYGQ-LLVKDONJSA-N 1 2 260.765 1.308 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CCOC)C1 ZINC001481710827 901887435 /nfs/dbraw/zinc/88/74/35/901887435.db2.gz RRMLOTDDAHVYGQ-LLVKDONJSA-N 1 2 260.765 1.308 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CC(C)(C)O)C1 ZINC001409903562 914622149 /nfs/dbraw/zinc/62/21/49/914622149.db2.gz NIVKVKSAFWOFRR-SNVBAGLBSA-N 1 2 274.792 1.336 20 30 CDEDLO CCC#CC(=O)N1CCCC2(C[NH+](Cc3cn[nH]c3)C2)C1 ZINC001268951253 903264641 /nfs/dbraw/zinc/26/46/41/903264641.db2.gz JVQDOYLUNUWQGZ-UHFFFAOYSA-N 1 2 286.379 1.248 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cncc(OC)c1C ZINC001038403186 903732842 /nfs/dbraw/zinc/73/28/42/903732842.db2.gz BVEATWNFANPDGN-ZDUSSCGKSA-N 1 2 287.363 1.226 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cncc(OC)c1C ZINC001038403186 903732850 /nfs/dbraw/zinc/73/28/50/903732850.db2.gz BVEATWNFANPDGN-ZDUSSCGKSA-N 1 2 287.363 1.226 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](CNC(=O)c2n[nH]c3ccccc32)C1 ZINC001028966475 904505217 /nfs/dbraw/zinc/50/52/17/904505217.db2.gz CCRDIZRAADBUOM-LBPRGKRZSA-N 1 2 282.347 1.248 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](CNC(=O)c2n[nH]c3ccccc32)C1 ZINC001028966475 904505224 /nfs/dbraw/zinc/50/52/24/904505224.db2.gz CCRDIZRAADBUOM-LBPRGKRZSA-N 1 2 282.347 1.248 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccncc2C)C1 ZINC001031652518 914868630 /nfs/dbraw/zinc/86/86/30/914868630.db2.gz KQOJCGMBEVOCSG-UHFFFAOYSA-N 1 2 279.771 1.804 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001128242735 921224336 /nfs/dbraw/zinc/22/43/36/921224336.db2.gz VEBZTOLTFGHSHN-UHFFFAOYSA-N 1 2 292.383 1.755 20 30 CDEDLO CC(C)C#CC(=O)NCc1cnn2c1C[N@@H+](C(C)C)CC2 ZINC001128347500 921277552 /nfs/dbraw/zinc/27/75/52/921277552.db2.gz VTSGDTHVRDPSTD-UHFFFAOYSA-N 1 2 288.395 1.383 20 30 CDEDLO CC(C)C#CC(=O)NCc1cnn2c1C[N@H+](C(C)C)CC2 ZINC001128347500 921277554 /nfs/dbraw/zinc/27/75/54/921277554.db2.gz VTSGDTHVRDPSTD-UHFFFAOYSA-N 1 2 288.395 1.383 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)CC)c1nccn12 ZINC001092337400 909376462 /nfs/dbraw/zinc/37/64/62/909376462.db2.gz XLMNEZGDOQRUHA-NSHDSACASA-N 1 2 260.341 1.051 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(CCC)s2)[C@@H](O)C1 ZINC001083494983 909443883 /nfs/dbraw/zinc/44/38/83/909443883.db2.gz BYHFPTYAZIXVOV-OLZOCXBDSA-N 1 2 294.420 1.662 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(CCC)s2)[C@@H](O)C1 ZINC001083494983 909443895 /nfs/dbraw/zinc/44/38/95/909443895.db2.gz BYHFPTYAZIXVOV-OLZOCXBDSA-N 1 2 294.420 1.662 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C)nn2C)C1 ZINC001032939298 921509511 /nfs/dbraw/zinc/50/95/11/921509511.db2.gz WXVQTBIORZQIPN-GFCCVEGCSA-N 1 2 296.802 1.627 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)nn2C)C1 ZINC001032939298 921509519 /nfs/dbraw/zinc/50/95/19/921509519.db2.gz WXVQTBIORZQIPN-GFCCVEGCSA-N 1 2 296.802 1.627 20 30 CDEDLO Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001093263090 909715026 /nfs/dbraw/zinc/71/50/26/909715026.db2.gz KLFLFVWLXSSVRQ-VIKVFOODSA-N 1 2 298.390 1.385 20 30 CDEDLO COc1nc(N[C@@H]2CCC[N@@H+](C3COC3)C2)ccc1C#N ZINC001168366647 909856780 /nfs/dbraw/zinc/85/67/80/909856780.db2.gz CNVQHAHNUZBPBC-GFCCVEGCSA-N 1 2 288.351 1.237 20 30 CDEDLO COc1nc(N[C@@H]2CCC[N@H+](C3COC3)C2)ccc1C#N ZINC001168366647 909856789 /nfs/dbraw/zinc/85/67/89/909856789.db2.gz CNVQHAHNUZBPBC-GFCCVEGCSA-N 1 2 288.351 1.237 20 30 CDEDLO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1ncc(Cl)s1 ZINC001038511282 910290569 /nfs/dbraw/zinc/29/05/69/910290569.db2.gz UKDMMDVQZRSMHV-VIFPVBQESA-N 1 2 283.784 1.624 20 30 CDEDLO C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1ncc(Cl)s1 ZINC001038511282 910290586 /nfs/dbraw/zinc/29/05/86/910290586.db2.gz UKDMMDVQZRSMHV-VIFPVBQESA-N 1 2 283.784 1.624 20 30 CDEDLO C#CCN1CC[C@]2(CCCN2c2cc[nH+]c(OC)c2)C1=O ZINC001273585781 921601233 /nfs/dbraw/zinc/60/12/33/921601233.db2.gz UHRHEACDMMZFOS-MRXNPFEDSA-N 1 2 285.347 1.295 20 30 CDEDLO C[C@H](CCCCNCC#N)NC(=O)CCc1[nH+]ccn1C ZINC001171889178 911005362 /nfs/dbraw/zinc/00/53/62/911005362.db2.gz CLGKUQYLTKNACN-CYBMUJFWSA-N 1 2 291.399 1.141 20 30 CDEDLO C=CC[C@@](C)([NH2+][C@@H]1CCC[C@@H](C(=O)OC)C1)C(=O)OC ZINC001172611134 911786199 /nfs/dbraw/zinc/78/61/99/911786199.db2.gz LXWQFYUUUQJWBR-LALPHHSUSA-N 1 2 283.368 1.816 20 30 CDEDLO C[N@H+](CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)C1CC1 ZINC000170637712 912017178 /nfs/dbraw/zinc/01/71/78/912017178.db2.gz AKQRWGYGHSUUHB-INIZCTEOSA-N 1 2 298.346 1.377 20 30 CDEDLO C[N@@H+](CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)C1CC1 ZINC000170637712 912017187 /nfs/dbraw/zinc/01/71/87/912017187.db2.gz AKQRWGYGHSUUHB-INIZCTEOSA-N 1 2 298.346 1.377 20 30 CDEDLO Cc1ccc(C(=NC(=O)[C@H]2CCc3[nH+]ccn3C2)NO)nc1 ZINC001178119545 915185666 /nfs/dbraw/zinc/18/56/66/915185666.db2.gz RVDPNIPQXAAMGI-NSHDSACASA-N 1 2 299.334 1.101 20 30 CDEDLO N#C[C@H]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001178119731 915186992 /nfs/dbraw/zinc/18/69/92/915186992.db2.gz WIMZSBONYZMMIE-JHJVBQTASA-N 1 2 272.352 1.644 20 30 CDEDLO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1[nH]ncc1F ZINC001089691737 915434733 /nfs/dbraw/zinc/43/47/33/915434733.db2.gz WUTOWPNYJGICMX-LLVKDONJSA-N 1 2 294.374 1.955 20 30 CDEDLO C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1[nH]ncc1F ZINC001089691737 915434741 /nfs/dbraw/zinc/43/47/41/915434741.db2.gz WUTOWPNYJGICMX-LLVKDONJSA-N 1 2 294.374 1.955 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@H](OC)C1 ZINC001212303350 915839205 /nfs/dbraw/zinc/83/92/05/915839205.db2.gz AOLYHFBVUTUMIT-BBBLOLIVSA-N 1 2 298.280 1.278 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@H](OC)C1 ZINC001212303350 915839218 /nfs/dbraw/zinc/83/92/18/915839218.db2.gz AOLYHFBVUTUMIT-BBBLOLIVSA-N 1 2 298.280 1.278 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCOC2(C[NH+](CC[C@H](C)F)C2)C1 ZINC001053372499 936412071 /nfs/dbraw/zinc/41/20/71/936412071.db2.gz HWTUHBQDULRYQM-ZDUSSCGKSA-N 1 2 298.402 1.860 20 30 CDEDLO C[C@]1(C#N)CC[N@H+](Cc2ccccc2OCCO)C1 ZINC001237205288 917363641 /nfs/dbraw/zinc/36/36/41/917363641.db2.gz NXJXGMPXXVMNRO-OAHLLOKOSA-N 1 2 260.337 1.793 20 30 CDEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccccc2OCCO)C1 ZINC001237205288 917363658 /nfs/dbraw/zinc/36/36/58/917363658.db2.gz NXJXGMPXXVMNRO-OAHLLOKOSA-N 1 2 260.337 1.793 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001124530916 917422519 /nfs/dbraw/zinc/42/25/19/917422519.db2.gz XCDSJAVUIKQRST-CYBMUJFWSA-N 1 2 292.383 1.373 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC13CCC3)CO2 ZINC001053941741 936424239 /nfs/dbraw/zinc/42/42/39/936424239.db2.gz DOGATPODZQHFLJ-KGLIPLIRSA-N 1 2 290.407 1.712 20 30 CDEDLO C=CCOC(=O)N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC001138131330 936476695 /nfs/dbraw/zinc/47/66/95/936476695.db2.gz WPWAQGXTSSGAQN-UHFFFAOYSA-N 1 2 294.326 1.972 20 30 CDEDLO Cc1[nH]c(NC(=O)[C@@H]2CC[N@H+]2C(C)C)c(C#N)c1C ZINC001182828271 918164990 /nfs/dbraw/zinc/16/49/90/918164990.db2.gz BAVYHANHNCXVQQ-LBPRGKRZSA-N 1 2 260.341 1.924 20 30 CDEDLO Cc1[nH]c(NC(=O)[C@@H]2CC[N@@H+]2C(C)C)c(C#N)c1C ZINC001182828271 918164999 /nfs/dbraw/zinc/16/49/99/918164999.db2.gz BAVYHANHNCXVQQ-LBPRGKRZSA-N 1 2 260.341 1.924 20 30 CDEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C(C)(C)C)nn2)C1 ZINC001107230659 918279481 /nfs/dbraw/zinc/27/94/81/918279481.db2.gz SQNPNBKFQTTYEO-UHFFFAOYSA-N 1 2 291.399 1.373 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)C1(c2ccccc2C#N)CC1 ZINC001183296404 918428473 /nfs/dbraw/zinc/42/84/73/918428473.db2.gz FGRJEVDOGMJESU-UHFFFAOYSA-N 1 2 294.358 1.682 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCCC)C1 ZINC001107740946 918711918 /nfs/dbraw/zinc/71/19/18/918711918.db2.gz CWJKUNBARAUAJN-MRXNPFEDSA-N 1 2 280.412 1.797 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCCCC)C1 ZINC001107740946 918711932 /nfs/dbraw/zinc/71/19/32/918711932.db2.gz CWJKUNBARAUAJN-MRXNPFEDSA-N 1 2 280.412 1.797 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCOCC(C)C)C1 ZINC001107763943 918756260 /nfs/dbraw/zinc/75/62/60/918756260.db2.gz NRUUALPCIIZXOD-MRXNPFEDSA-N 1 2 298.427 1.442 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCOCC(C)C)C1 ZINC001107763943 918756274 /nfs/dbraw/zinc/75/62/74/918756274.db2.gz NRUUALPCIIZXOD-MRXNPFEDSA-N 1 2 298.427 1.442 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2sccc2F)C1 ZINC001107920055 919048572 /nfs/dbraw/zinc/04/85/72/919048572.db2.gz KYDBLKLADRUTSE-CQSZACIVSA-N 1 2 298.383 1.894 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2sccc2F)C1 ZINC001107920055 919048585 /nfs/dbraw/zinc/04/85/85/919048585.db2.gz KYDBLKLADRUTSE-CQSZACIVSA-N 1 2 298.383 1.894 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001050866097 936566437 /nfs/dbraw/zinc/56/64/37/936566437.db2.gz SKJUPWDQKCZRAM-KBXIAJHMSA-N 1 2 278.396 1.426 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001050866097 936566439 /nfs/dbraw/zinc/56/64/39/936566439.db2.gz SKJUPWDQKCZRAM-KBXIAJHMSA-N 1 2 278.396 1.426 20 30 CDEDLO C#Cc1cnc(N2CC[NH+](Cc3ccco3)CC2)nc1 ZINC000827332369 936587680 /nfs/dbraw/zinc/58/76/80/936587680.db2.gz MUSGKZOMZRCLOW-UHFFFAOYSA-N 1 2 268.320 1.373 20 30 CDEDLO COc1ncc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(OC)n1 ZINC001139233727 936610460 /nfs/dbraw/zinc/61/04/60/936610460.db2.gz XRBBZFDCOKTTHE-NSHDSACASA-N 1 2 276.340 1.619 20 30 CDEDLO COc1ncc(C[N@H+]2CCC[C@@H](CC#N)C2)c(OC)n1 ZINC001139233727 936610461 /nfs/dbraw/zinc/61/04/61/936610461.db2.gz XRBBZFDCOKTTHE-NSHDSACASA-N 1 2 276.340 1.619 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)nc1C ZINC001032798310 920232941 /nfs/dbraw/zinc/23/29/41/920232941.db2.gz XXNHLCFRGKBGMJ-KBPBESRZSA-N 1 2 269.348 1.230 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)nc1C ZINC001032798310 920232952 /nfs/dbraw/zinc/23/29/52/920232952.db2.gz 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ZINC001169189411 927799218 /nfs/dbraw/zinc/79/92/18/927799218.db2.gz FCOQFIQQIQFPIC-VIFPVBQESA-N 1 2 280.291 1.831 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1CNC(=O)C1 ZINC000853688562 928074493 /nfs/dbraw/zinc/07/44/93/928074493.db2.gz DNGFRGAYPKYYOL-GFCCVEGCSA-N 1 2 273.336 1.422 20 30 CDEDLO O=C(C=CNc1nc2[nH]ccc2c[nH+]1)C(F)(F)F ZINC001169473805 928104118 /nfs/dbraw/zinc/10/41/18/928104118.db2.gz QFIZQIMFSGAHKB-DUXPYHPUSA-N 1 2 256.187 1.967 20 30 CDEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)CCCC)CC2=O)C1 ZINC001108506403 928176649 /nfs/dbraw/zinc/17/66/49/928176649.db2.gz QUODMXDDEMUDTB-CYBMUJFWSA-N 1 2 293.411 1.154 20 30 CDEDLO COc1ccc(C(=NO)Nc2ccn3cc[nH+]c3c2)nc1 ZINC001169601351 928214500 /nfs/dbraw/zinc/21/45/00/928214500.db2.gz QAUGIKHBEDHRQK-UHFFFAOYSA-N 1 2 283.291 1.986 20 30 CDEDLO N#Cc1c(Cl)ncnc1NCc1cc[nH+]c(N)c1 ZINC001156755728 928958444 /nfs/dbraw/zinc/95/84/44/928958444.db2.gz KBOOFDNIWSBAOB-UHFFFAOYSA-N 1 2 260.688 1.591 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2occc2C)CC1 ZINC001112611315 929257736 /nfs/dbraw/zinc/25/77/36/929257736.db2.gz RLPMFYMLQJRVKM-UHFFFAOYSA-N 1 2 278.352 1.548 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[C@@H](C)NCC#N)ccn12 ZINC001134376213 929712310 /nfs/dbraw/zinc/71/23/10/929712310.db2.gz JIRWMHGHVZEOLU-NEPJUHHUSA-N 1 2 299.378 1.653 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[NH2+]Cc1csnn1 ZINC001134410444 929735030 /nfs/dbraw/zinc/73/50/30/929735030.db2.gz QLLZGAOVOBKBAI-UHFFFAOYSA-N 1 2 268.386 1.346 20 30 CDEDLO C=CCC(F)(F)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000815477044 930019351 /nfs/dbraw/zinc/01/93/51/930019351.db2.gz SOPNODCZGNFBLP-UHFFFAOYSA-N 1 2 276.327 1.113 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C)CCC[C@H]1C ZINC000884143991 930459523 /nfs/dbraw/zinc/45/95/23/930459523.db2.gz XQIGFTUNCUVYTN-UPJWGTAASA-N 1 2 282.384 1.470 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([NH2+]Cc2nc(C(C)C)no2)C1 ZINC001490815264 930737870 /nfs/dbraw/zinc/73/78/70/930737870.db2.gz SMPMFLUNFCCRDX-LBPRGKRZSA-N 1 2 292.383 1.850 20 30 CDEDLO C[C@@H]1CC(=O)CC[C@H]1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001116476146 937450620 /nfs/dbraw/zinc/45/06/20/937450620.db2.gz UJPHKEKHHANLMR-DGCLKSJQSA-N 1 2 277.368 1.096 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H](c3ncccn3)C2)CCC1 ZINC000886685956 930938478 /nfs/dbraw/zinc/93/84/78/930938478.db2.gz HLFXYJIBAHQLRI-ZDUSSCGKSA-N 1 2 299.378 1.218 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H](c3ncccn3)C2)CCC1 ZINC000886685956 930938480 /nfs/dbraw/zinc/93/84/80/930938480.db2.gz HLFXYJIBAHQLRI-ZDUSSCGKSA-N 1 2 299.378 1.218 20 30 CDEDLO C#CCN1C(=O)C[C@]2(CCCN(c3cccc[nH+]3)C2)C1=O ZINC001274739582 931563693 /nfs/dbraw/zinc/56/36/93/931563693.db2.gz LCYTUIVAWOTKKO-INIZCTEOSA-N 1 2 283.331 1.060 20 30 CDEDLO Cc1nnc2n1CC[N@@H+]([C@H](C)Cc1cccc(C#N)c1)C2 ZINC001171220456 932002165 /nfs/dbraw/zinc/00/21/65/932002165.db2.gz ADHYISCWWGMKRD-GFCCVEGCSA-N 1 2 281.363 1.905 20 30 CDEDLO Cc1nnc2n1CC[N@H+]([C@H](C)Cc1cccc(C#N)c1)C2 ZINC001171220456 932002168 /nfs/dbraw/zinc/00/21/68/932002168.db2.gz ADHYISCWWGMKRD-GFCCVEGCSA-N 1 2 281.363 1.905 20 30 CDEDLO N#Cc1cccc2c1CCN2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001412268060 932353987 /nfs/dbraw/zinc/35/39/87/932353987.db2.gz MMOXWDMNLSCQAB-GFCCVEGCSA-N 1 2 292.342 1.906 20 30 CDEDLO C[C@H](C#N)c1cccc(C(=O)NCCn2cc[nH+]c2)c1 ZINC001148607436 932746211 /nfs/dbraw/zinc/74/62/11/932746211.db2.gz CUKMSJTYNBKTFE-GFCCVEGCSA-N 1 2 268.320 1.940 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC ZINC001110897198 932836394 /nfs/dbraw/zinc/83/63/94/932836394.db2.gz FDXCRJBNRWBMGD-UPJWGTAASA-N 1 2 293.411 1.056 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC ZINC001110897198 932836399 /nfs/dbraw/zinc/83/63/99/932836399.db2.gz FDXCRJBNRWBMGD-UPJWGTAASA-N 1 2 293.411 1.056 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNc2ncc3c(c2C#N)CCCC3)C1 ZINC001155201673 937648366 /nfs/dbraw/zinc/64/83/66/937648366.db2.gz LUMFQXCGWOVUDV-ZDUSSCGKSA-N 1 2 286.379 1.575 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNc2ncc3c(c2C#N)CCCC3)C1 ZINC001155201673 937648367 /nfs/dbraw/zinc/64/83/67/937648367.db2.gz LUMFQXCGWOVUDV-ZDUSSCGKSA-N 1 2 286.379 1.575 20 30 CDEDLO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001138856104 934900981 /nfs/dbraw/zinc/90/09/81/934900981.db2.gz YOQVAIWVQRNAIZ-NSHDSACASA-N 1 2 276.340 1.712 20 30 CDEDLO CCOC(=O)c1n[nH]cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001138856104 934900988 /nfs/dbraw/zinc/90/09/88/934900988.db2.gz YOQVAIWVQRNAIZ-NSHDSACASA-N 1 2 276.340 1.712 20 30 CDEDLO CC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1NCC#N ZINC001037965107 935321974 /nfs/dbraw/zinc/32/19/74/935321974.db2.gz CGBGNQZJLSMKDV-OLZOCXBDSA-N 1 2 289.383 1.001 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cccc(C)c1 ZINC001018263926 935663933 /nfs/dbraw/zinc/66/39/33/935663933.db2.gz PYHNRCGZZMVQHT-IYBDPMFKSA-N 1 2 298.386 1.682 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cccc(C)c1 ZINC001018263926 935663935 /nfs/dbraw/zinc/66/39/35/935663935.db2.gz PYHNRCGZZMVQHT-IYBDPMFKSA-N 1 2 298.386 1.682 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)ncn2C ZINC001038432573 935744868 /nfs/dbraw/zinc/74/48/68/935744868.db2.gz XBWWFAKCADLPPQ-CQSZACIVSA-N 1 2 296.374 1.401 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)ncn2C ZINC001038432573 935744874 /nfs/dbraw/zinc/74/48/74/935744874.db2.gz XBWWFAKCADLPPQ-CQSZACIVSA-N 1 2 296.374 1.401 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1noc2c1CCCC2 ZINC001038740270 935754979 /nfs/dbraw/zinc/75/49/79/935754979.db2.gz PKUQICXOAVCYCC-GFCCVEGCSA-N 1 2 287.363 1.381 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1noc2c1CCCC2 ZINC001038740270 935754980 /nfs/dbraw/zinc/75/49/80/935754980.db2.gz PKUQICXOAVCYCC-GFCCVEGCSA-N 1 2 287.363 1.381 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cn2cc(Cl)cn2)C1 ZINC001043985795 935847596 /nfs/dbraw/zinc/84/75/96/935847596.db2.gz HZHGRIXUEUAMNH-UHFFFAOYSA-N 1 2 282.775 1.255 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2nocc2C)C1 ZINC001046760926 935973968 /nfs/dbraw/zinc/97/39/68/935973968.db2.gz VAEQAMIPJOXNJO-CYBMUJFWSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2nocc2C)C1 ZINC001046760926 935973970 /nfs/dbraw/zinc/97/39/70/935973970.db2.gz VAEQAMIPJOXNJO-CYBMUJFWSA-N 1 2 283.759 1.930 20 30 CDEDLO Cc1nc(N2CCC3(C[C@@H]3NC(=O)[C@H](C)C#N)CC2)cc[nH+]1 ZINC001096513933 936141249 /nfs/dbraw/zinc/14/12/49/936141249.db2.gz VTNPLHLGEVVNAX-YPMHNXCESA-N 1 2 299.378 1.420 20 30 CDEDLO C#CCC1(C(=O)N2CC[C@H](Nc3cc[nH+]c(C)n3)C2)CCC1 ZINC001096966327 936243483 /nfs/dbraw/zinc/24/34/83/936243483.db2.gz HSLGKCWIIPFIFO-AWEZNQCLSA-N 1 2 298.390 1.991 20 30 CDEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc3c1CCC3)C2 ZINC001097414813 936301236 /nfs/dbraw/zinc/30/12/36/936301236.db2.gz NTNLJDNFXXAAHZ-HONMWMINSA-N 1 2 286.379 1.420 20 30 CDEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc3c1CCC3)C2 ZINC001097414813 936301240 /nfs/dbraw/zinc/30/12/40/936301240.db2.gz NTNLJDNFXXAAHZ-HONMWMINSA-N 1 2 286.379 1.420 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1cccc(OCc2ccccc2)n1 ZINC001156327659 938352383 /nfs/dbraw/zinc/35/23/83/938352383.db2.gz JBMWRMFHWOMDLC-HNNXBMFYSA-N 1 2 294.358 1.962 20 30 CDEDLO N#Cc1ccc2c(c1)n[nH]c2C(=O)NCCn1cc[nH+]c1 ZINC001156876527 938427534 /nfs/dbraw/zinc/42/75/34/938427534.db2.gz DLVFUKDPXVGXGN-UHFFFAOYSA-N 1 2 280.291 1.061 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1cc(OC)cc(C#N)n1 ZINC001157462404 938496573 /nfs/dbraw/zinc/49/65/73/938496573.db2.gz GUSMNHQDCMWEPT-UHFFFAOYSA-N 1 2 271.324 1.685 20 30 CDEDLO C#CCN(CC#C)c1cc[nH+]c(N2CCCCC2)n1 ZINC001157562609 938512229 /nfs/dbraw/zinc/51/22/29/938512229.db2.gz UYDHKGNBDRKNNM-UHFFFAOYSA-N 1 2 254.337 1.540 20 30 CDEDLO C#C[C@](C)(CC)Nc1cc(N2CCC[C@H]2C(N)=O)nc[nH+]1 ZINC001158742349 938658562 /nfs/dbraw/zinc/65/85/62/938658562.db2.gz FAVBHPBTXLFSOI-XHDPSFHLSA-N 1 2 287.367 1.145 20 30 CDEDLO C#C[C@](C)(CC)Nc1cc(N2CCC[C@H]2C(N)=O)[nH+]cn1 ZINC001158742349 938658563 /nfs/dbraw/zinc/65/85/63/938658563.db2.gz FAVBHPBTXLFSOI-XHDPSFHLSA-N 1 2 287.367 1.145 20 30 CDEDLO Cc1nonc1CNc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001164057994 939401917 /nfs/dbraw/zinc/40/19/17/939401917.db2.gz ZQNYTMKDNLBWFG-UHFFFAOYSA-N 1 2 255.281 1.940 20 30 CDEDLO C[C@H]1C[C@@H](CO)N(c2[nH+]ccc3[nH]cc(C#N)c32)C1 ZINC001164153028 939421119 /nfs/dbraw/zinc/42/11/19/939421119.db2.gz WERFGFAWTPYQFU-ONGXEEELSA-N 1 2 256.309 1.642 20 30 CDEDLO N#Cc1cnc(N2CC[NH2+]CC(F)(F)C2)c(F)c1 ZINC001164498298 939479532 /nfs/dbraw/zinc/47/95/32/939479532.db2.gz QRHRVFFLQOOPFX-UHFFFAOYSA-N 1 2 256.231 1.137 20 30 CDEDLO COC(=O)c1ccc2c(ccnc2N2CC[NH2+]C[C@H]2C#N)c1 ZINC001164641910 939501452 /nfs/dbraw/zinc/50/14/52/939501452.db2.gz PROGDDNDPPBIJP-CYBMUJFWSA-N 1 2 296.330 1.323 20 30 CDEDLO COc1ccc2ccnc(N3CC[NH2+]C[C@H]3C#N)c2c1 ZINC001164651484 939501839 /nfs/dbraw/zinc/50/18/39/939501839.db2.gz JBQPVFZQFFZDJC-GFCCVEGCSA-N 1 2 268.320 1.545 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1cc2ccc(F)cc2cn1 ZINC001164660199 939502795 /nfs/dbraw/zinc/50/27/95/939502795.db2.gz BGVQUUKJVPOMBQ-ZDUSSCGKSA-N 1 2 256.284 1.676 20 30 CDEDLO N#C[C@@H]1CCC[N@H+](Cc2cn(-c3cnccn3)cn2)CC1 ZINC001238816012 945256442 /nfs/dbraw/zinc/25/64/42/945256442.db2.gz FNFCHBYMCRICAN-CYBMUJFWSA-N 1 2 282.351 1.788 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](Cc2cn(-c3cnccn3)cn2)CC1 ZINC001238816012 945256450 /nfs/dbraw/zinc/25/64/50/945256450.db2.gz FNFCHBYMCRICAN-CYBMUJFWSA-N 1 2 282.351 1.788 20 30 CDEDLO COc1cc(C[NH+]2CCN(CCC#N)CC2)ccc1O ZINC001204115041 939734438 /nfs/dbraw/zinc/73/44/38/939734438.db2.gz RFRGESXCIWHVTE-UHFFFAOYSA-N 1 2 275.352 1.432 20 30 CDEDLO Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C2)o1 ZINC001206640138 940075201 /nfs/dbraw/zinc/07/52/01/940075201.db2.gz DYBGNCKOGOSRFJ-CKYFFXLPSA-N 1 2 276.340 1.079 20 30 CDEDLO Cc1cnc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C2)o1 ZINC001206640138 940075203 /nfs/dbraw/zinc/07/52/03/940075203.db2.gz DYBGNCKOGOSRFJ-CKYFFXLPSA-N 1 2 276.340 1.079 20 30 CDEDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1ccc(C#N)cc1O)C2 ZINC001276492895 940090209 /nfs/dbraw/zinc/09/02/09/940090209.db2.gz BTZVVGNIWJTJKM-OCCSQVGLSA-N 1 2 257.337 1.400 20 30 CDEDLO C[N@H+]1C[C@H]2C[C@@H](C1)N(Cc1ccc(C#N)cc1O)C2 ZINC001276492895 940090213 /nfs/dbraw/zinc/09/02/13/940090213.db2.gz BTZVVGNIWJTJKM-OCCSQVGLSA-N 1 2 257.337 1.400 20 30 CDEDLO C#CC[N@@H+](C)CC1=CS[C@@H](N)N1C(=O)OC(C)(C)C ZINC001208649955 940365737 /nfs/dbraw/zinc/36/57/37/940365737.db2.gz KMDRFPQKRWMPGS-NSHDSACASA-N 1 2 283.397 1.619 20 30 CDEDLO C#CC[N@H+](C)CC1=CS[C@@H](N)N1C(=O)OC(C)(C)C ZINC001208649955 940365738 /nfs/dbraw/zinc/36/57/38/940365738.db2.gz KMDRFPQKRWMPGS-NSHDSACASA-N 1 2 283.397 1.619 20 30 CDEDLO C#CCCC[N@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001209264121 940454499 /nfs/dbraw/zinc/45/44/99/940454499.db2.gz WHURMNSQXOJUJI-CYBMUJFWSA-N 1 2 262.357 1.257 20 30 CDEDLO C#CCCC[N@@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001209264121 940454501 /nfs/dbraw/zinc/45/45/01/940454501.db2.gz WHURMNSQXOJUJI-CYBMUJFWSA-N 1 2 262.357 1.257 20 30 CDEDLO N#C[C@H](OCC[NH+]1CCOCC1)c1cccc(F)c1 ZINC001210225590 940672441 /nfs/dbraw/zinc/67/24/41/940672441.db2.gz UYZYHGVGHMFAAI-AWEZNQCLSA-N 1 2 264.300 1.739 20 30 CDEDLO Cc1[nH+]cc(Nc2c(C#N)cnc3c(C#N)cnn32)cc1N ZINC001210287582 940679099 /nfs/dbraw/zinc/67/90/99/940679099.db2.gz XFRVAMILPQTLHC-UHFFFAOYSA-N 1 2 290.290 1.502 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)COCC3CC3)[C@@H]2C1 ZINC001221312986 941515400 /nfs/dbraw/zinc/51/54/00/941515400.db2.gz WLGYMTUKJLJOCW-ZIAGYGMSSA-N 1 2 298.814 1.698 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)COCC3CC3)[C@@H]2C1 ZINC001221312986 941515402 /nfs/dbraw/zinc/51/54/02/941515402.db2.gz WLGYMTUKJLJOCW-ZIAGYGMSSA-N 1 2 298.814 1.698 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncccc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227118775 942136204 /nfs/dbraw/zinc/13/62/04/942136204.db2.gz QEKQWZVJLSFZPU-ZQLNZSQWSA-N 1 2 266.728 1.726 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncccc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227118775 942136207 /nfs/dbraw/zinc/13/62/07/942136207.db2.gz QEKQWZVJLSFZPU-ZQLNZSQWSA-N 1 2 266.728 1.726 20 30 CDEDLO Cc1cnc(C[NH+]2CCC(NC(=O)C#CC3CC3)CC2)o1 ZINC001227232531 942154143 /nfs/dbraw/zinc/15/41/43/942154143.db2.gz FMKYPCJWDMQUES-UHFFFAOYSA-N 1 2 287.363 1.477 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncccc3C3CC3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229015559 942407754 /nfs/dbraw/zinc/40/77/54/942407754.db2.gz ZXXVIKJPYZAYAB-GAAPNJIFSA-N 1 2 272.348 1.950 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncccc3C3CC3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229015559 942407757 /nfs/dbraw/zinc/40/77/57/942407757.db2.gz ZXXVIKJPYZAYAB-GAAPNJIFSA-N 1 2 272.348 1.950 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)OCCC(C)C ZINC001316611550 942586935 /nfs/dbraw/zinc/58/69/35/942586935.db2.gz ULADHJARQHWJLM-CABCVRRESA-N 1 2 280.412 1.604 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)OCCC(C)C ZINC001316611550 942586938 /nfs/dbraw/zinc/58/69/38/942586938.db2.gz ULADHJARQHWJLM-CABCVRRESA-N 1 2 280.412 1.604 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC(C)C ZINC001230646329 942664526 /nfs/dbraw/zinc/66/45/26/942664526.db2.gz LNUTXMJBBGDZGW-KBPBESRZSA-N 1 2 295.427 1.256 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CC(C)C ZINC001230646329 942664529 /nfs/dbraw/zinc/66/45/29/942664529.db2.gz LNUTXMJBBGDZGW-KBPBESRZSA-N 1 2 295.427 1.256 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001231247225 942831257 /nfs/dbraw/zinc/83/12/57/942831257.db2.gz LUZDZUKGSFVNIL-WBVHZDCISA-N 1 2 295.386 1.730 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001231247225 942831269 /nfs/dbraw/zinc/83/12/69/942831269.db2.gz LUZDZUKGSFVNIL-WBVHZDCISA-N 1 2 295.386 1.730 20 30 CDEDLO Cc1cc(O)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c(O)c1 ZINC001231338312 942859844 /nfs/dbraw/zinc/85/98/44/942859844.db2.gz KICFWWQTICWCSO-OTDFPYDRSA-N 1 2 277.320 1.397 20 30 CDEDLO Cc1cc(O)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c(O)c1 ZINC001231338312 942859848 /nfs/dbraw/zinc/85/98/48/942859848.db2.gz KICFWWQTICWCSO-OTDFPYDRSA-N 1 2 277.320 1.397 20 30 CDEDLO COc1cc(C#N)ccc1C[NH+]1CC2(C1)CCN(C(C)=O)C2 ZINC001231619222 942945251 /nfs/dbraw/zinc/94/52/51/942945251.db2.gz IUFMVDOCHDFEEI-UHFFFAOYSA-N 1 2 299.374 1.621 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cncc(O)c2)C1 ZINC001232043510 943115043 /nfs/dbraw/zinc/11/50/43/943115043.db2.gz GNDZBRXFWKOTSG-ZDUSSCGKSA-N 1 2 291.351 1.664 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cncc(O)c2)C1 ZINC001232043510 943115050 /nfs/dbraw/zinc/11/50/50/943115050.db2.gz GNDZBRXFWKOTSG-ZDUSSCGKSA-N 1 2 291.351 1.664 20 30 CDEDLO N#Cc1ccnc(CN2CC[NH+](Cc3ccccn3)CC2)c1 ZINC001232476943 943291267 /nfs/dbraw/zinc/29/12/67/943291267.db2.gz ZJKFBJCGORRDPO-UHFFFAOYSA-N 1 2 293.374 1.666 20 30 CDEDLO N#Cc1ccnc(CN2CC[NH+](Cc3ccncc3)CC2)c1 ZINC001232480972 943294101 /nfs/dbraw/zinc/29/41/01/943294101.db2.gz PCVJWUUADNMJIR-UHFFFAOYSA-N 1 2 293.374 1.666 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H](O)[C@@H](F)CC2)c1 ZINC001232674032 943356377 /nfs/dbraw/zinc/35/63/77/943356377.db2.gz QBTMUSJMLHNPOH-JSGCOSHPSA-N 1 2 264.300 1.559 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)c1 ZINC001232674032 943356385 /nfs/dbraw/zinc/35/63/85/943356385.db2.gz QBTMUSJMLHNPOH-JSGCOSHPSA-N 1 2 264.300 1.559 20 30 CDEDLO COC(=O)C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232681829 943363109 /nfs/dbraw/zinc/36/31/09/943363109.db2.gz WBVZMFUGXPINCH-GFCCVEGCSA-N 1 2 274.320 1.649 20 30 CDEDLO COC(=O)C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232681829 943363112 /nfs/dbraw/zinc/36/31/12/943363112.db2.gz WBVZMFUGXPINCH-GFCCVEGCSA-N 1 2 274.320 1.649 20 30 CDEDLO C#CCN1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC001233290385 943531123 /nfs/dbraw/zinc/53/11/23/943531123.db2.gz ZVZNSUNGBQNHBL-UHFFFAOYSA-N 1 2 294.782 1.805 20 30 CDEDLO C[C@@]1(CO)CC[N@H+](Cc2cc(C#N)c(F)cc2F)C[C@H]1O ZINC001237525113 944825016 /nfs/dbraw/zinc/82/50/16/944825016.db2.gz OLZFDOXFAQHVMV-CABCVRRESA-N 1 2 296.317 1.402 20 30 CDEDLO C[C@@]1(CO)CC[N@@H+](Cc2cc(C#N)c(F)cc2F)C[C@H]1O ZINC001237525113 944825022 /nfs/dbraw/zinc/82/50/22/944825022.db2.gz OLZFDOXFAQHVMV-CABCVRRESA-N 1 2 296.317 1.402 20 30 CDEDLO CC(=O)N[C@H]1CCC[N@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237608062 944879753 /nfs/dbraw/zinc/87/97/53/944879753.db2.gz CKQZONCGQUWXFO-AWEZNQCLSA-N 1 2 297.362 1.306 20 30 CDEDLO CC(=O)N[C@H]1CCC[N@@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237608062 944879759 /nfs/dbraw/zinc/87/97/59/944879759.db2.gz CKQZONCGQUWXFO-AWEZNQCLSA-N 1 2 297.362 1.306 20 30 CDEDLO COc1ncc(NC(=O)NCc2ccc(N)[nH+]c2)cc1C#N ZINC001477077831 971165319 /nfs/dbraw/zinc/16/53/19/971165319.db2.gz FDWNKXVLCQWBGK-UHFFFAOYSA-N 1 2 298.306 1.261 20 30 CDEDLO COC(=O)[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C1CCOCC1 ZINC001254637435 947564603 /nfs/dbraw/zinc/56/46/03/947564603.db2.gz PCJCTSAOKZPNCV-RAIGVLPGSA-N 1 2 266.341 1.236 20 30 CDEDLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)N[C@@H]1CC[C@H](C#N)C1 ZINC001254655964 947574803 /nfs/dbraw/zinc/57/48/03/947574803.db2.gz HAOBMGTUYKQLID-SCRDCRAPSA-N 1 2 290.367 1.176 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=S)Nc2ccc(C#N)cc2)C1 ZINC001245934393 947854669 /nfs/dbraw/zinc/85/46/69/947854669.db2.gz YAJNDGOURLTMIA-CYBMUJFWSA-N 1 2 290.392 1.175 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=S)Nc2ccc(C#N)cc2)C1 ZINC001245934393 947854672 /nfs/dbraw/zinc/85/46/72/947854672.db2.gz YAJNDGOURLTMIA-CYBMUJFWSA-N 1 2 290.392 1.175 20 30 CDEDLO C=CC[C@H]([NH2+][C@H](C)CCC(=O)OCC)C(=O)OC ZINC001258479777 948870570 /nfs/dbraw/zinc/87/05/70/948870570.db2.gz LSIICKFWJJQRND-MNOVXSKESA-N 1 2 257.330 1.426 20 30 CDEDLO N#Cc1ccn2ncc(CN3CC([N@@H+]4CC[C@H](F)C4)C3)c2c1 ZINC001249114134 949393490 /nfs/dbraw/zinc/39/34/90/949393490.db2.gz VAZZHDZMZIZLQJ-AWEZNQCLSA-N 1 2 299.353 1.434 20 30 CDEDLO N#Cc1ccn2ncc(CN3CC([N@H+]4CC[C@H](F)C4)C3)c2c1 ZINC001249114134 949393509 /nfs/dbraw/zinc/39/35/09/949393509.db2.gz VAZZHDZMZIZLQJ-AWEZNQCLSA-N 1 2 299.353 1.434 20 30 CDEDLO C=CCOC[C@H](O)CNc1cc([C@H](C)O)cc[nH+]1 ZINC001252459036 951304368 /nfs/dbraw/zinc/30/43/68/951304368.db2.gz UABTYJLMYXQWGU-CMPLNLGQSA-N 1 2 252.314 1.110 20 30 CDEDLO C=C[C@@H](O)CNc1ccc(OC)nc1-n1cc[nH+]c1CC ZINC001253572113 951959144 /nfs/dbraw/zinc/95/91/44/951959144.db2.gz LOBMIPIGJBQAJW-LLVKDONJSA-N 1 2 288.351 1.797 20 30 CDEDLO C[N@H+](CCNC(=O)C1CC1)Cc1cc(C#N)ccc1F ZINC001480836051 971901093 /nfs/dbraw/zinc/90/10/93/971901093.db2.gz XUMLCQDBZWXLDP-UHFFFAOYSA-N 1 2 275.327 1.655 20 30 CDEDLO C[N@@H+](CCNC(=O)C1CC1)Cc1cc(C#N)ccc1F ZINC001480836051 971901099 /nfs/dbraw/zinc/90/10/99/971901099.db2.gz XUMLCQDBZWXLDP-UHFFFAOYSA-N 1 2 275.327 1.655 20 30 CDEDLO C=C[C@H](COC)NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC001325634054 953997325 /nfs/dbraw/zinc/99/73/25/953997325.db2.gz CYEVCKNCVYGKTB-GFCCVEGCSA-N 1 2 293.367 1.707 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc(C#N)ccn1)C[C@@H](C)O2 ZINC001363233994 972005260 /nfs/dbraw/zinc/00/52/60/972005260.db2.gz MSHFDAPWVJKIQG-WWGRRREGSA-N 1 2 287.363 1.722 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc(C#N)ccn1)C[C@@H](C)O2 ZINC001363233994 972005264 /nfs/dbraw/zinc/00/52/64/972005264.db2.gz MSHFDAPWVJKIQG-WWGRRREGSA-N 1 2 287.363 1.722 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)Nc1cccc(CC#N)c1 ZINC001298024196 955110977 /nfs/dbraw/zinc/11/09/77/955110977.db2.gz ILTIIBNHWDJXSF-UHFFFAOYSA-N 1 2 254.293 1.965 20 30 CDEDLO C=CC[N@H+](CN1CC2(CC2)CC1=O)[C@H](C)COC ZINC001328024399 955165120 /nfs/dbraw/zinc/16/51/20/955165120.db2.gz QLHPTCXZVKJLQQ-GFCCVEGCSA-N 1 2 252.358 1.479 20 30 CDEDLO C=CC[N@@H+](CN1CC2(CC2)CC1=O)[C@H](C)COC ZINC001328024399 955165124 /nfs/dbraw/zinc/16/51/24/955165124.db2.gz QLHPTCXZVKJLQQ-GFCCVEGCSA-N 1 2 252.358 1.479 20 30 CDEDLO Cc1cc(C[N@H+](C)CCNC(=O)c2cc(C#N)c[nH]2)on1 ZINC001492222793 955725139 /nfs/dbraw/zinc/72/51/39/955725139.db2.gz GXVYYGFIBIGQMM-UHFFFAOYSA-N 1 2 287.323 1.045 20 30 CDEDLO Cc1cc(C[N@@H+](C)CCNC(=O)c2cc(C#N)c[nH]2)on1 ZINC001492222793 955725149 /nfs/dbraw/zinc/72/51/49/955725149.db2.gz GXVYYGFIBIGQMM-UHFFFAOYSA-N 1 2 287.323 1.045 20 30 CDEDLO N#Cc1ccc(C[NH2+]C2CC[NH+](CC(=O)[O-])CC2)c(F)c1 ZINC001594620911 956280658 /nfs/dbraw/zinc/28/06/58/956280658.db2.gz VWIWROSINRGCTK-UHFFFAOYSA-N 1 2 291.326 1.336 20 30 CDEDLO Cc1nn(CCO)c(C)c1C[N@@H+](C)CC(C)(C)C#N ZINC001330422871 956422820 /nfs/dbraw/zinc/42/28/20/956422820.db2.gz FYXUDDHCXPZHJP-UHFFFAOYSA-N 1 2 264.373 1.474 20 30 CDEDLO Cc1nn(CCO)c(C)c1C[N@H+](C)CC(C)(C)C#N ZINC001330422871 956422829 /nfs/dbraw/zinc/42/28/29/956422829.db2.gz FYXUDDHCXPZHJP-UHFFFAOYSA-N 1 2 264.373 1.474 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnc(C)nc1C ZINC001422910291 956444781 /nfs/dbraw/zinc/44/47/81/956444781.db2.gz TYEZAKUFERDXPS-SNVBAGLBSA-N 1 2 296.802 1.896 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cnc(C)nc1C ZINC001422910291 956444795 /nfs/dbraw/zinc/44/47/95/956444795.db2.gz TYEZAKUFERDXPS-SNVBAGLBSA-N 1 2 296.802 1.896 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2n[nH]c(C)c2C)CC1 ZINC001313442933 956858216 /nfs/dbraw/zinc/85/82/16/956858216.db2.gz LOBRHGBUBAREBN-UHFFFAOYSA-N 1 2 262.357 1.360 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cnn(CC)c1 ZINC001367506493 958074087 /nfs/dbraw/zinc/07/40/87/958074087.db2.gz HQIHTQLRHDRBDD-UHFFFAOYSA-N 1 2 284.791 1.659 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cnn(CC)c1 ZINC001367506493 958074099 /nfs/dbraw/zinc/07/40/99/958074099.db2.gz HQIHTQLRHDRBDD-UHFFFAOYSA-N 1 2 284.791 1.659 20 30 CDEDLO C[C@@H]1CCc2nc(C[NH2+][C@H]3CCCN(O)C3=O)sc2C1 ZINC001334375359 959063952 /nfs/dbraw/zinc/06/39/52/959063952.db2.gz OKFKKCJFNWWQDB-KOLCDFICSA-N 1 2 295.408 1.738 20 30 CDEDLO C[C@@H](C(=O)N1CCCC(C)(C)[C@H]1C#N)n1cc[nH+]c1 ZINC001321161864 959626245 /nfs/dbraw/zinc/62/62/45/959626245.db2.gz RBURUYUAHYDAMW-NWDGAFQWSA-N 1 2 260.341 1.985 20 30 CDEDLO C#CCOc1ccccc1CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001322885109 960354899 /nfs/dbraw/zinc/35/48/99/960354899.db2.gz FISHSIVZPNDCQJ-CYBMUJFWSA-N 1 2 283.331 1.773 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)Cc2c(C)noc2C)C1 ZINC001419043996 961296377 /nfs/dbraw/zinc/29/63/77/961296377.db2.gz HHRLSKJRXCNLRY-UHFFFAOYSA-N 1 2 297.786 1.634 20 30 CDEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@@H](C)CC#N ZINC001339090900 962166000 /nfs/dbraw/zinc/16/60/00/962166000.db2.gz IAPVRMMSTAKVJG-LBPRGKRZSA-N 1 2 299.382 1.527 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCc1cn[nH]c1 ZINC001420031243 962398368 /nfs/dbraw/zinc/39/83/68/962398368.db2.gz ZNOATQPVTFHRJP-UHFFFAOYSA-N 1 2 284.791 1.485 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCc1cn[nH]c1 ZINC001420031243 962398387 /nfs/dbraw/zinc/39/83/87/962398387.db2.gz ZNOATQPVTFHRJP-UHFFFAOYSA-N 1 2 284.791 1.485 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H](C)COC)C1CC1 ZINC001437778188 963176623 /nfs/dbraw/zinc/17/66/23/963176623.db2.gz LGMYSLMNZZYYQF-SNVBAGLBSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H](C)COC)C1CC1 ZINC001437778188 963176630 /nfs/dbraw/zinc/17/66/30/963176630.db2.gz LGMYSLMNZZYYQF-SNVBAGLBSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CC1(COC)CC1 ZINC001440919848 964260764 /nfs/dbraw/zinc/26/07/64/964260764.db2.gz PFBCMJVRFFOKRJ-GFCCVEGCSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CC1(COC)CC1 ZINC001440919848 964260774 /nfs/dbraw/zinc/26/07/74/964260774.db2.gz PFBCMJVRFFOKRJ-GFCCVEGCSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnn(C(F)F)c1 ZINC001442560840 965116733 /nfs/dbraw/zinc/11/67/33/965116733.db2.gz PRIYHTFOIIXDCT-UHFFFAOYSA-N 1 2 292.717 1.692 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnn(C(F)F)c1 ZINC001442560840 965116739 /nfs/dbraw/zinc/11/67/39/965116739.db2.gz PRIYHTFOIIXDCT-UHFFFAOYSA-N 1 2 292.717 1.692 20 30 CDEDLO CC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1nc(C)cs1 ZINC001442645416 965159457 /nfs/dbraw/zinc/15/94/57/965159457.db2.gz BRDJUKCFOPYZHY-JTQLQIEISA-N 1 2 280.397 1.549 20 30 CDEDLO CC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1nc(C)cs1 ZINC001442645416 965159463 /nfs/dbraw/zinc/15/94/63/965159463.db2.gz BRDJUKCFOPYZHY-JTQLQIEISA-N 1 2 280.397 1.549 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cncn1C ZINC001448057305 966979910 /nfs/dbraw/zinc/97/99/10/966979910.db2.gz UCQVGUODFOGRGZ-JTQLQIEISA-N 1 2 270.764 1.223 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cncn1C ZINC001448057305 966979913 /nfs/dbraw/zinc/97/99/13/966979913.db2.gz UCQVGUODFOGRGZ-JTQLQIEISA-N 1 2 270.764 1.223 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)Nc1n[nH]c(C2CC2)c1C#N ZINC001454647185 968521653 /nfs/dbraw/zinc/52/16/53/968521653.db2.gz PMBOUXPYEATPDE-UHFFFAOYSA-N 1 2 270.296 1.372 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CCC(C)(C)C)n2C)CC1 ZINC001355530868 969192648 /nfs/dbraw/zinc/19/26/48/969192648.db2.gz PAHKWBVIKJVTKV-UHFFFAOYSA-N 1 2 289.427 1.549 20 30 CDEDLO C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001495668016 972587029 /nfs/dbraw/zinc/58/70/29/972587029.db2.gz LFUXSVSVLCMJLK-POYBYMJQSA-N 1 2 290.688 1.981 20 30 CDEDLO C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001495668016 972587035 /nfs/dbraw/zinc/58/70/35/972587035.db2.gz LFUXSVSVLCMJLK-POYBYMJQSA-N 1 2 290.688 1.981 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H](C)n1cccn1)C1CC1 ZINC001372770018 973129193 /nfs/dbraw/zinc/12/91/93/973129193.db2.gz IJSXKOYFLIATBW-LBPRGKRZSA-N 1 2 296.802 1.777 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H](C)n1cccn1)C1CC1 ZINC001372770018 973129197 /nfs/dbraw/zinc/12/91/97/973129197.db2.gz IJSXKOYFLIATBW-LBPRGKRZSA-N 1 2 296.802 1.777 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCc2nccn2C)C1 ZINC001376140669 974579883 /nfs/dbraw/zinc/57/98/83/974579883.db2.gz ZPAGDVAQOSYXAA-GFCCVEGCSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCc2nccn2C)C1 ZINC001376140669 974579887 /nfs/dbraw/zinc/57/98/87/974579887.db2.gz ZPAGDVAQOSYXAA-GFCCVEGCSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)COC ZINC001377474330 975041633 /nfs/dbraw/zinc/04/16/33/975041633.db2.gz HZSUJDMCMXTMPV-UHFFFAOYSA-N 1 2 293.205 1.370 20 30 CDEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)COC ZINC001377474330 975041636 /nfs/dbraw/zinc/04/16/36/975041636.db2.gz HZSUJDMCMXTMPV-UHFFFAOYSA-N 1 2 293.205 1.370 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C1=CCOCC1 ZINC001378037036 975216544 /nfs/dbraw/zinc/21/65/44/975216544.db2.gz JCMARERUYHJNJV-LLVKDONJSA-N 1 2 272.776 1.522 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C1=CCOCC1 ZINC001378037036 975216551 /nfs/dbraw/zinc/21/65/51/975216551.db2.gz JCMARERUYHJNJV-LLVKDONJSA-N 1 2 272.776 1.522 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2csc(Cl)n2)CC1 ZINC001380067738 976227623 /nfs/dbraw/zinc/22/76/23/976227623.db2.gz NQCSOGIONNJJIO-QMMMGPOBSA-N 1 2 298.799 1.695 20 30 CDEDLO Cc1nnc(C[NH+]2CCC(C)(NC(=O)[C@@H](C)C#N)CC2)o1 ZINC001380300499 976336557 /nfs/dbraw/zinc/33/65/57/976336557.db2.gz SVJDPOXWWKISNV-JTQLQIEISA-N 1 2 291.355 1.008 20 30 CDEDLO C[N@H+](CCNC(=O)C(C)(C)F)Cc1cc(C#N)ccc1F ZINC001403478436 976978394 /nfs/dbraw/zinc/97/83/94/976978394.db2.gz GEVQOLPVXDKSBR-UHFFFAOYSA-N 1 2 295.333 1.993 20 30 CDEDLO C[N@@H+](CCNC(=O)C(C)(C)F)Cc1cc(C#N)ccc1F ZINC001403478436 976978399 /nfs/dbraw/zinc/97/83/99/976978399.db2.gz GEVQOLPVXDKSBR-UHFFFAOYSA-N 1 2 295.333 1.993 20 30 CDEDLO COCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001400637963 977120631 /nfs/dbraw/zinc/12/06/31/977120631.db2.gz DIIASGIBQFDWDS-CYBMUJFWSA-N 1 2 291.326 1.034 20 30 CDEDLO COCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001400637963 977120637 /nfs/dbraw/zinc/12/06/37/977120637.db2.gz DIIASGIBQFDWDS-CYBMUJFWSA-N 1 2 291.326 1.034 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnc(C)n1C ZINC001392697836 977556762 /nfs/dbraw/zinc/55/67/62/977556762.db2.gz ZFICYIUMMVAGLX-SNVBAGLBSA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cnc(C)n1C ZINC001392697836 977556766 /nfs/dbraw/zinc/55/67/66/977556766.db2.gz ZFICYIUMMVAGLX-SNVBAGLBSA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(=O)[nH]c1 ZINC001392719783 977569874 /nfs/dbraw/zinc/56/98/74/977569874.db2.gz VTSHHVXXJVRFSG-SNVBAGLBSA-N 1 2 283.759 1.590 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(=O)[nH]c1 ZINC001392719783 977569883 /nfs/dbraw/zinc/56/98/83/977569883.db2.gz VTSHHVXXJVRFSG-SNVBAGLBSA-N 1 2 283.759 1.590 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+][C@@H](C)c1nc(COC)no1 ZINC001132391689 1163265725 /nfs/dbraw/zinc/26/57/25/1163265725.db2.gz OETVUCKLJHTAEH-JTQLQIEISA-N 1 2 296.371 1.195 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001132398584 1163266975 /nfs/dbraw/zinc/26/69/75/1163266975.db2.gz GFNBPRDRTCHUDW-SECBINFHSA-N 1 2 266.345 1.357 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[NH2+]Cc1nc(COC)no1 ZINC001132667374 1163431589 /nfs/dbraw/zinc/43/15/89/1163431589.db2.gz KGQMSVFCLRUKCZ-LLVKDONJSA-N 1 2 296.371 1.024 20 30 CDEDLO N#Cc1cc(O)cc(C(=O)NCc2c[nH+]c3n2CCCC3)c1 ZINC000586841074 342472725 /nfs/dbraw/zinc/47/27/25/342472725.db2.gz UUMWQXJKKGAMGL-UHFFFAOYSA-N 1 2 296.330 1.727 20 30 CDEDLO COC(=O)c1ccc2[nH]c(C[NH2+][C@H](C)CC#N)nc2c1 ZINC000601227813 342534468 /nfs/dbraw/zinc/53/44/68/342534468.db2.gz WLCVBGNEXMTVRR-SECBINFHSA-N 1 2 272.308 1.741 20 30 CDEDLO Cc1ccc(C#N)c(NC[C@H](C)[NH+]2CCOCC2)n1 ZINC000127708975 187328256 /nfs/dbraw/zinc/32/82/56/187328256.db2.gz ZKZUXHNMVCKXKE-LBPRGKRZSA-N 1 2 260.341 1.394 20 30 CDEDLO COc1ccc(C)cc1NC(=O)C[NH2+][C@H](C)CC#N ZINC000609030834 342087516 /nfs/dbraw/zinc/08/75/16/342087516.db2.gz FQULYEUHRFYJHN-LLVKDONJSA-N 1 2 261.325 1.834 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147243 342673647 /nfs/dbraw/zinc/67/36/47/342673647.db2.gz KDQYVBUAHRJQHW-WBMJQRKESA-N 1 2 298.346 1.236 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147243 342673648 /nfs/dbraw/zinc/67/36/48/342673648.db2.gz KDQYVBUAHRJQHW-WBMJQRKESA-N 1 2 298.346 1.236 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592187818 342680123 /nfs/dbraw/zinc/68/01/23/342680123.db2.gz LNXQOXYVKWOYRR-GFCCVEGCSA-N 1 2 295.383 1.032 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592187818 342680124 /nfs/dbraw/zinc/68/01/24/342680124.db2.gz LNXQOXYVKWOYRR-GFCCVEGCSA-N 1 2 295.383 1.032 20 30 CDEDLO N#CC[C@@]1(O)CCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000591975969 342661075 /nfs/dbraw/zinc/66/10/75/342661075.db2.gz KVQMGWQBPHEBMB-OAHLLOKOSA-N 1 2 287.367 1.322 20 30 CDEDLO N#CC[C@@]1(O)CCN(c2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000591975969 342661076 /nfs/dbraw/zinc/66/10/76/342661076.db2.gz KVQMGWQBPHEBMB-OAHLLOKOSA-N 1 2 287.367 1.322 20 30 CDEDLO Cc1cccc2[nH+]c(CCNC(=O)[C@H](C)C#N)cn21 ZINC000592938814 342747287 /nfs/dbraw/zinc/74/72/87/342747287.db2.gz PCLXNNBCRRCXHW-SNVBAGLBSA-N 1 2 256.309 1.461 20 30 CDEDLO CCc1nnc([C@@H](C)[NH2+]Cc2cnc3c(C#N)cnn3c2)[nH]1 ZINC000573445492 361879657 /nfs/dbraw/zinc/87/96/57/361879657.db2.gz YIWJFKUMFFKSNL-SECBINFHSA-N 1 2 296.338 1.132 20 30 CDEDLO Cc1nc(C(=O)N[C@](C)(C#N)C[NH+](C)C)sc1C ZINC000593153017 342773951 /nfs/dbraw/zinc/77/39/51/342773951.db2.gz DGLDMOOEUYZNDW-GFCCVEGCSA-N 1 2 266.370 1.334 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000593154494 342774053 /nfs/dbraw/zinc/77/40/53/342774053.db2.gz WTABZGLMOIROOD-ZFWWWQNUSA-N 1 2 291.326 1.089 20 30 CDEDLO COCC[N@H+](C)Cc1cn([C@H]2CC[C@H](C#N)C2)nn1 ZINC000600813059 342250410 /nfs/dbraw/zinc/25/04/10/342250410.db2.gz JSXZHWOBFQGUCR-AAEUAGOBSA-N 1 2 263.345 1.221 20 30 CDEDLO COCC[N@@H+](C)Cc1cn([C@H]2CC[C@H](C#N)C2)nn1 ZINC000600813059 342250411 /nfs/dbraw/zinc/25/04/11/342250411.db2.gz JSXZHWOBFQGUCR-AAEUAGOBSA-N 1 2 263.345 1.221 20 30 CDEDLO C#CCNC(=O)c1ccc(NCCCn2cc[nH+]c2)nc1 ZINC000091424590 342233073 /nfs/dbraw/zinc/23/30/73/342233073.db2.gz WBDAPCJAYUAZGG-UHFFFAOYSA-N 1 2 283.335 1.143 20 30 CDEDLO COC1(CO)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000401782265 349724041 /nfs/dbraw/zinc/72/40/41/349724041.db2.gz XCWOZDXRVKWMQF-UHFFFAOYSA-N 1 2 278.327 1.671 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000366992828 529585014 /nfs/dbraw/zinc/58/50/14/529585014.db2.gz FANQBRSQGBEDQN-TZMCWYRMSA-N 1 2 272.352 1.464 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000366992828 529585017 /nfs/dbraw/zinc/58/50/17/529585017.db2.gz FANQBRSQGBEDQN-TZMCWYRMSA-N 1 2 272.352 1.464 20 30 CDEDLO Cn1ncc(C#N)c1N1CC[NH+](Cc2ccncc2)CC1 ZINC000596057173 343222487 /nfs/dbraw/zinc/22/24/87/343222487.db2.gz IYUPZXKBUNHLEE-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO Cn1ncc(C#N)c1N1CC[NH+](Cc2ccccn2)CC1 ZINC000596059871 343223048 /nfs/dbraw/zinc/22/30/48/343223048.db2.gz CMMRBXGRZRRORQ-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO CC(C)(C)OCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000081158125 342364718 /nfs/dbraw/zinc/36/47/18/342364718.db2.gz DQGCZWORRLHIPY-UHFFFAOYSA-N 1 2 283.416 1.349 20 30 CDEDLO Cc1cc(NCc2c(C3CC3)cnn2C)c(C#N)c[nH+]1 ZINC000596471986 343325287 /nfs/dbraw/zinc/32/52/87/343325287.db2.gz ICCHZJGMWTVSJV-UHFFFAOYSA-N 1 2 267.336 1.907 20 30 CDEDLO O=C(N[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330212585 362180730 /nfs/dbraw/zinc/18/07/30/362180730.db2.gz DSVUWCGRHWEDSF-JQWIXIFHSA-N 1 2 286.397 1.147 20 30 CDEDLO O=C(N[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330212585 362180734 /nfs/dbraw/zinc/18/07/34/362180734.db2.gz DSVUWCGRHWEDSF-JQWIXIFHSA-N 1 2 286.397 1.147 20 30 CDEDLO C=CC[N@@H+](CCC(C)(C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000157966257 362183629 /nfs/dbraw/zinc/18/36/29/362183629.db2.gz QZDTYCLKVLBMNY-LBPRGKRZSA-N 1 2 270.398 1.601 20 30 CDEDLO C=CC[N@H+](CCC(C)(C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000157966257 362183631 /nfs/dbraw/zinc/18/36/31/362183631.db2.gz QZDTYCLKVLBMNY-LBPRGKRZSA-N 1 2 270.398 1.601 20 30 CDEDLO CC(=O)NC[C@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000249089327 362217338 /nfs/dbraw/zinc/21/73/38/362217338.db2.gz CPCLYGSORJGNTD-WBMJQRKESA-N 1 2 287.363 1.456 20 30 CDEDLO CC(=O)NC[C@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000249089327 362217344 /nfs/dbraw/zinc/21/73/44/362217344.db2.gz CPCLYGSORJGNTD-WBMJQRKESA-N 1 2 287.363 1.456 20 30 CDEDLO CN(C)c1[nH+]cc(CN2CCC[C@@H](CC#N)C2)n1C ZINC000597176960 343468583 /nfs/dbraw/zinc/46/85/83/343468583.db2.gz KGSLOIHBFXXWOX-LBPRGKRZSA-N 1 2 261.373 1.612 20 30 CDEDLO C=CCCOCC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000597853104 343646326 /nfs/dbraw/zinc/64/63/26/343646326.db2.gz DLVSSOOSIZJAED-UHFFFAOYSA-N 1 2 273.336 1.852 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)NCCc1ccc(C#N)cc1 ZINC000597890990 343659348 /nfs/dbraw/zinc/65/93/48/343659348.db2.gz XPQSIYUPQUHSNQ-UHFFFAOYSA-N 1 2 268.320 1.491 20 30 CDEDLO Cc1[nH]c[nH+]c1CC(=O)NCCc1ccc(C#N)cc1 ZINC000597890990 343659349 /nfs/dbraw/zinc/65/93/49/343659349.db2.gz XPQSIYUPQUHSNQ-UHFFFAOYSA-N 1 2 268.320 1.491 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cccc(C#N)c1 ZINC000597996630 343684599 /nfs/dbraw/zinc/68/45/99/343684599.db2.gz KJNMVQIOXJZJMG-OLZOCXBDSA-N 1 2 287.363 1.397 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cccc(C#N)c1 ZINC000597996630 343684601 /nfs/dbraw/zinc/68/46/01/343684601.db2.gz KJNMVQIOXJZJMG-OLZOCXBDSA-N 1 2 287.363 1.397 20 30 CDEDLO COC(=O)c1cccc(C[N@H+](C)[C@@H]2CCOC2)c1C#N ZINC000535965407 282296466 /nfs/dbraw/zinc/29/64/66/282296466.db2.gz XGLUMNRCHGMMOS-GFCCVEGCSA-N 1 2 274.320 1.566 20 30 CDEDLO COC(=O)c1cccc(C[N@@H+](C)[C@@H]2CCOC2)c1C#N ZINC000535965407 282296467 /nfs/dbraw/zinc/29/64/67/282296467.db2.gz XGLUMNRCHGMMOS-GFCCVEGCSA-N 1 2 274.320 1.566 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](CCC(=O)OCC)C1 ZINC000619719856 349869869 /nfs/dbraw/zinc/86/98/69/349869869.db2.gz IOGWYMMHVQFIAA-CHWSQXEVSA-N 1 2 283.368 1.769 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](CCC(=O)OCC)C1 ZINC000619719856 349869872 /nfs/dbraw/zinc/86/98/72/349869872.db2.gz IOGWYMMHVQFIAA-CHWSQXEVSA-N 1 2 283.368 1.769 20 30 CDEDLO C=C[C@H]([NH2+][C@@H]1CCCC12CCOCC2)C(=O)OC ZINC000619723296 349873280 /nfs/dbraw/zinc/87/32/80/349873280.db2.gz XZXAOAMJEAFTOR-NWDGAFQWSA-N 1 2 253.342 1.653 20 30 CDEDLO C[C@@H]1C[N@H+](C[C@@H](O)CC(C)(C)C#N)C[C@@H](C(F)(F)F)O1 ZINC000598596102 343840203 /nfs/dbraw/zinc/84/02/03/343840203.db2.gz QQIOXSCRAFRKHU-VWYCJHECSA-N 1 2 294.317 1.939 20 30 CDEDLO C[C@@H]1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)C[C@@H](C(F)(F)F)O1 ZINC000598596102 343840205 /nfs/dbraw/zinc/84/02/05/343840205.db2.gz QQIOXSCRAFRKHU-VWYCJHECSA-N 1 2 294.317 1.939 20 30 CDEDLO Cc1noc([C@H](C)[N@H+](C)C[C@H](O)CC(C)(C)C#N)n1 ZINC000598623766 343846889 /nfs/dbraw/zinc/84/68/89/343846889.db2.gz RUKXSZYLZHJGPG-GXSJLCMTSA-N 1 2 266.345 1.672 20 30 CDEDLO Cc1noc([C@H](C)[N@@H+](C)C[C@H](O)CC(C)(C)C#N)n1 ZINC000598623766 343846891 /nfs/dbraw/zinc/84/68/91/343846891.db2.gz RUKXSZYLZHJGPG-GXSJLCMTSA-N 1 2 266.345 1.672 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[NH+]1CC(OCC(F)F)C1 ZINC000598702771 343876012 /nfs/dbraw/zinc/87/60/12/343876012.db2.gz YYVPLTRTRPJDKF-SECBINFHSA-N 1 2 262.300 1.253 20 30 CDEDLO Cc1nccnc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000598671990 343873096 /nfs/dbraw/zinc/87/30/96/343873096.db2.gz ILUIICOJEBNSAH-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO Cc1cc(N[C@H]2CCO[C@@H](c3cnn(C)c3)C2)c(C#N)c[nH+]1 ZINC000599106341 343955031 /nfs/dbraw/zinc/95/50/31/343955031.db2.gz FRLANIISAACXSJ-GOEBONIOSA-N 1 2 297.362 1.749 20 30 CDEDLO C=CC[N@@H+](C)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000127149143 187285532 /nfs/dbraw/zinc/28/55/32/187285532.db2.gz LWCVJGUERMHZJR-UHFFFAOYSA-N 1 2 284.381 1.682 20 30 CDEDLO C=CC[N@H+](C)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000127149143 187285534 /nfs/dbraw/zinc/28/55/34/187285534.db2.gz LWCVJGUERMHZJR-UHFFFAOYSA-N 1 2 284.381 1.682 20 30 CDEDLO COC(=O)[C@H]([NH+]1CCC(C#N)CC1)C1(OC)CCC1 ZINC000331971346 362350360 /nfs/dbraw/zinc/35/03/60/362350360.db2.gz LMJWTENQWZKFMN-LBPRGKRZSA-N 1 2 266.341 1.333 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)NCC(C)(C)CCC#N ZINC000601601787 344207369 /nfs/dbraw/zinc/20/73/69/344207369.db2.gz JIZXPFVFTKDMQG-UHFFFAOYSA-N 1 2 263.345 1.881 20 30 CDEDLO C[C@@H](CCC#N)CNc1ccc(N(C)CCO)c[nH+]1 ZINC000602570424 344485674 /nfs/dbraw/zinc/48/56/74/344485674.db2.gz URBVIAABBLEFER-LBPRGKRZSA-N 1 2 262.357 1.284 20 30 CDEDLO COc1ncc(C[NH+]2CCN(CCC#N)CC2)s1 ZINC000602747558 344562334 /nfs/dbraw/zinc/56/23/34/344562334.db2.gz AZEGQIVQJITWOD-UHFFFAOYSA-N 1 2 266.370 1.183 20 30 CDEDLO N#CCC1(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)CC1 ZINC000602795044 344586017 /nfs/dbraw/zinc/58/60/17/344586017.db2.gz RDOCTPVIOBYDAS-UHFFFAOYSA-N 1 2 299.374 1.844 20 30 CDEDLO Cc1nccnc1C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000602795793 344586667 /nfs/dbraw/zinc/58/66/67/344586667.db2.gz OITHZPGNTVDKOZ-OAHLLOKOSA-N 1 2 273.384 1.451 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1CC1(CC#N)CC1 ZINC000602799164 344589484 /nfs/dbraw/zinc/58/94/84/344589484.db2.gz BIWBGVBKYUGRGB-NEPJUHHUSA-N 1 2 266.341 1.333 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1CC1(CC#N)CC1 ZINC000602799164 344589486 /nfs/dbraw/zinc/58/94/86/344589486.db2.gz BIWBGVBKYUGRGB-NEPJUHHUSA-N 1 2 266.341 1.333 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000602860328 344616227 /nfs/dbraw/zinc/61/62/27/344616227.db2.gz AZIYQDYGBILXGZ-UWVGGRQHSA-N 1 2 275.308 1.634 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCCOc1ccc(F)cc1 ZINC000602862050 344617048 /nfs/dbraw/zinc/61/70/48/344617048.db2.gz KRXNKMNZUZLNHH-LLVKDONJSA-N 1 2 279.315 1.212 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCCOc1cccc(F)c1 ZINC000602863054 344618025 /nfs/dbraw/zinc/61/80/25/344618025.db2.gz NGUUILNHWOJDCC-LLVKDONJSA-N 1 2 279.315 1.212 20 30 CDEDLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000602937301 344664774 /nfs/dbraw/zinc/66/47/74/344664774.db2.gz IVEYXAFSOMVVPK-AWEZNQCLSA-N 1 2 277.372 1.204 20 30 CDEDLO Cc1n[nH]cc1C[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000602937301 344664777 /nfs/dbraw/zinc/66/47/77/344664777.db2.gz IVEYXAFSOMVVPK-AWEZNQCLSA-N 1 2 277.372 1.204 20 30 CDEDLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[NH2+][C@H](C)CC#N)C1 ZINC000602863809 344631813 /nfs/dbraw/zinc/63/18/13/344631813.db2.gz PSYZKAIJZBBRGC-FRRDWIJNSA-N 1 2 295.383 1.068 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H]1CSC[C@@H]1C)C(=O)OC ZINC000449302838 362643357 /nfs/dbraw/zinc/64/33/57/362643357.db2.gz WMZYJWVYXVSTBI-DCAQKATOSA-N 1 2 259.371 1.072 20 30 CDEDLO C=CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H](C)COC ZINC000617583867 345870308 /nfs/dbraw/zinc/87/03/08/345870308.db2.gz REATXPBCIBUFNE-QWHCGFSZSA-N 1 2 277.368 1.495 20 30 CDEDLO C[C@@H](C#N)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000357824740 346098638 /nfs/dbraw/zinc/09/86/38/346098638.db2.gz JPDNYVRDYMIQRO-ZDUSSCGKSA-N 1 2 287.363 1.295 20 30 CDEDLO C[N@H+](Cc1cn[nH]c1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000610487356 346292459 /nfs/dbraw/zinc/29/24/59/346292459.db2.gz JDULADPDVOYYDQ-HNNXBMFYSA-N 1 2 295.346 1.519 20 30 CDEDLO C[N@@H+](Cc1cn[nH]c1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000610487356 346292462 /nfs/dbraw/zinc/29/24/62/346292462.db2.gz JDULADPDVOYYDQ-HNNXBMFYSA-N 1 2 295.346 1.519 20 30 CDEDLO N#Cc1cc(CN2CC[NH+](Cc3ccccn3)CC2)ccn1 ZINC000610991678 346568260 /nfs/dbraw/zinc/56/82/60/346568260.db2.gz LYMLPOIPVODIQK-UHFFFAOYSA-N 1 2 293.374 1.666 20 30 CDEDLO CC[N@H+](CC[C@H]1CCS(=O)(=O)C1)C[C@@H](C)C#N ZINC000611170518 346628461 /nfs/dbraw/zinc/62/84/61/346628461.db2.gz YNSJBYGXTFDDDH-RYUDHWBXSA-N 1 2 258.387 1.293 20 30 CDEDLO CC[N@@H+](CC[C@H]1CCS(=O)(=O)C1)C[C@@H](C)C#N ZINC000611170518 346628465 /nfs/dbraw/zinc/62/84/65/346628465.db2.gz YNSJBYGXTFDDDH-RYUDHWBXSA-N 1 2 258.387 1.293 20 30 CDEDLO C[C@@H](CC#N)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000612584627 347217032 /nfs/dbraw/zinc/21/70/32/347217032.db2.gz UJQGHHGIHHOLRH-VIFPVBQESA-N 1 2 277.280 1.853 20 30 CDEDLO CC[N@H+](C[C@@H](O)C(F)(F)F)CC1(C#N)CCC1 ZINC000450791126 362915365 /nfs/dbraw/zinc/91/53/65/362915365.db2.gz LVORDWNBLAYJOM-SECBINFHSA-N 1 2 250.264 1.925 20 30 CDEDLO CC[N@@H+](C[C@@H](O)C(F)(F)F)CC1(C#N)CCC1 ZINC000450791126 362915366 /nfs/dbraw/zinc/91/53/66/362915366.db2.gz LVORDWNBLAYJOM-SECBINFHSA-N 1 2 250.264 1.925 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc2nccnc2c1 ZINC000414139620 362923746 /nfs/dbraw/zinc/92/37/46/362923746.db2.gz GJYACUUFHRLPNO-LBPRGKRZSA-N 1 2 286.335 1.215 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc2nccnc2c1 ZINC000414139620 362923750 /nfs/dbraw/zinc/92/37/50/362923750.db2.gz GJYACUUFHRLPNO-LBPRGKRZSA-N 1 2 286.335 1.215 20 30 CDEDLO CC(C)(C)[C@@H](C#N)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000615768516 348714112 /nfs/dbraw/zinc/71/41/12/348714112.db2.gz BZJIKDKEYIUFCV-WDEREUQCSA-N 1 2 260.341 1.500 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(O)CC2)c1C ZINC000067131548 349014392 /nfs/dbraw/zinc/01/43/92/349014392.db2.gz YXXJUHWAGSARIE-UHFFFAOYSA-N 1 2 276.380 1.930 20 30 CDEDLO Cc1cccc(OC[C@H](O)C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000263767472 362943511 /nfs/dbraw/zinc/94/35/11/362943511.db2.gz ZDFAXFYNMIDRDL-ZIAGYGMSSA-N 1 2 262.353 1.826 20 30 CDEDLO Cc1cccc(OC[C@H](O)C[N@H+](C)C[C@H](C)C#N)c1 ZINC000263767472 362943516 /nfs/dbraw/zinc/94/35/16/362943516.db2.gz ZDFAXFYNMIDRDL-ZIAGYGMSSA-N 1 2 262.353 1.826 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000068612965 351111487 /nfs/dbraw/zinc/11/14/87/351111487.db2.gz XSYGBQHRDDBPMU-NSHDSACASA-N 1 2 252.339 1.352 20 30 CDEDLO C=C1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000264498577 363080820 /nfs/dbraw/zinc/08/08/20/363080820.db2.gz UXNPSNKUWUBILC-UHFFFAOYSA-N 1 2 261.369 1.981 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000122159810 187018288 /nfs/dbraw/zinc/01/82/88/187018288.db2.gz KJHNYBXDNYIMLR-IJEWVQPXSA-N 1 2 286.375 1.586 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000122159810 187018289 /nfs/dbraw/zinc/01/82/89/187018289.db2.gz KJHNYBXDNYIMLR-IJEWVQPXSA-N 1 2 286.375 1.586 20 30 CDEDLO Cc1ccn2cc(CNS(=O)(=O)CCCC#N)[nH+]c2c1 ZINC000264761146 363145193 /nfs/dbraw/zinc/14/51/93/363145193.db2.gz PAWCZMNGXAAIBJ-UHFFFAOYSA-N 1 2 292.364 1.366 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000292063650 198149464 /nfs/dbraw/zinc/14/94/64/198149464.db2.gz AZDBBXUTWQOSBY-GFCCVEGCSA-N 1 2 296.367 1.564 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000292063650 198149466 /nfs/dbraw/zinc/14/94/66/198149466.db2.gz AZDBBXUTWQOSBY-GFCCVEGCSA-N 1 2 296.367 1.564 20 30 CDEDLO C[N@H+](Cc1ccccc1C#N)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292254367 198219847 /nfs/dbraw/zinc/21/98/47/198219847.db2.gz RADKBFHKDYBUOQ-AWEZNQCLSA-N 1 2 293.392 1.024 20 30 CDEDLO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292254367 198219848 /nfs/dbraw/zinc/21/98/48/198219848.db2.gz RADKBFHKDYBUOQ-AWEZNQCLSA-N 1 2 293.392 1.024 20 30 CDEDLO CN1CCO[C@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC000431175194 283036482 /nfs/dbraw/zinc/03/64/82/283036482.db2.gz LLUKMLSHBGFWGQ-CABCVRRESA-N 1 2 275.327 1.212 20 30 CDEDLO CN1CCO[C@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC000431175194 283036486 /nfs/dbraw/zinc/03/64/86/283036486.db2.gz LLUKMLSHBGFWGQ-CABCVRRESA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC000431175194 283036488 /nfs/dbraw/zinc/03/64/88/283036488.db2.gz LLUKMLSHBGFWGQ-CABCVRRESA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC000431175194 283036492 /nfs/dbraw/zinc/03/64/92/283036492.db2.gz LLUKMLSHBGFWGQ-CABCVRRESA-N 1 2 275.327 1.212 20 30 CDEDLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000370229494 355915761 /nfs/dbraw/zinc/91/57/61/355915761.db2.gz BPCSNTYJFOHZIH-HUUCEWRRSA-N 1 2 288.347 1.711 20 30 CDEDLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000370229494 355915768 /nfs/dbraw/zinc/91/57/68/355915768.db2.gz BPCSNTYJFOHZIH-HUUCEWRRSA-N 1 2 288.347 1.711 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(CC#Cc3ccccc3Cl)C[C@H]21 ZINC000334658173 356003598 /nfs/dbraw/zinc/00/35/98/356003598.db2.gz GVBBUHUHMIENAR-CVEARBPZSA-N 1 2 290.794 1.706 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(CC#Cc3ccccc3Cl)C[C@H]21 ZINC000334658173 356003608 /nfs/dbraw/zinc/00/36/08/356003608.db2.gz GVBBUHUHMIENAR-CVEARBPZSA-N 1 2 290.794 1.706 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081515249 356328438 /nfs/dbraw/zinc/32/84/38/356328438.db2.gz FWZVIHCAJSJIJN-CYBMUJFWSA-N 1 2 276.384 1.620 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081515249 356328442 /nfs/dbraw/zinc/32/84/42/356328442.db2.gz FWZVIHCAJSJIJN-CYBMUJFWSA-N 1 2 276.384 1.620 20 30 CDEDLO O=C(NC[C@@H]1CCC[C@@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328939392 538443535 /nfs/dbraw/zinc/44/35/35/538443535.db2.gz KIVCDELWFRRORO-MDZLAQPJSA-N 1 2 263.341 1.563 20 30 CDEDLO Cc1ccc2[nH+]c(CNc3n[nH]cc3C#N)cn2c1 ZINC000342387054 363510474 /nfs/dbraw/zinc/51/04/74/363510474.db2.gz IJTMLFJACMEKPU-UHFFFAOYSA-N 1 2 252.281 1.272 20 30 CDEDLO Cc1cc(C#N)cc(C)c1CN1CC[NH2+]C[C@H]1C#N ZINC001579553960 1172209423 /nfs/dbraw/zinc/20/94/23/1172209423.db2.gz GBDRXCLYWUFPJR-CQSZACIVSA-N 1 2 254.337 1.473 20 30 CDEDLO COCCOCC[N@H+](C)Cc1ccc(F)cc1C#N ZINC000344100403 356887852 /nfs/dbraw/zinc/88/78/52/356887852.db2.gz BVBBVAHNKKUQKA-UHFFFAOYSA-N 1 2 266.316 1.792 20 30 CDEDLO COCCOCC[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000344100403 356887856 /nfs/dbraw/zinc/88/78/56/356887856.db2.gz BVBBVAHNKKUQKA-UHFFFAOYSA-N 1 2 266.316 1.792 20 30 CDEDLO C[C@@H]1C[C@@H](CO)CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000344155096 356948392 /nfs/dbraw/zinc/94/83/92/356948392.db2.gz JOMFIZHZWOYGNS-MNOVXSKESA-N 1 2 293.392 1.651 20 30 CDEDLO C[C@@H]1C[C@@H](CO)CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000344155096 356948395 /nfs/dbraw/zinc/94/83/95/356948395.db2.gz JOMFIZHZWOYGNS-MNOVXSKESA-N 1 2 293.392 1.651 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)[nH]1 ZINC000120245046 357393561 /nfs/dbraw/zinc/39/35/61/357393561.db2.gz PROBVVZYXIAHDM-GFCCVEGCSA-N 1 2 269.308 1.977 20 30 CDEDLO N#Cc1cccnc1N1CC[NH+](CCc2cscn2)CC1 ZINC000283656737 357577294 /nfs/dbraw/zinc/57/72/94/357577294.db2.gz BMZFPYRMSNUFFC-UHFFFAOYSA-N 1 2 299.403 1.774 20 30 CDEDLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(C#N)cn1)CCO2 ZINC000566416557 357665229 /nfs/dbraw/zinc/66/52/29/357665229.db2.gz NBIYSUOWBMWZTA-DOMZBBRYSA-N 1 2 273.336 1.333 20 30 CDEDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(C#N)cn1)CCO2 ZINC000566416557 357665232 /nfs/dbraw/zinc/66/52/32/357665232.db2.gz NBIYSUOWBMWZTA-DOMZBBRYSA-N 1 2 273.336 1.333 20 30 CDEDLO C[C@@H](O)CNc1cc(NCc2ccc(C#N)cc2)nc[nH+]1 ZINC000294384456 199019065 /nfs/dbraw/zinc/01/90/65/199019065.db2.gz MGMMDKCLVNEDHE-LLVKDONJSA-N 1 2 283.335 1.753 20 30 CDEDLO C[C@@H](O)CNc1cc(NCc2ccc(C#N)cc2)[nH+]cn1 ZINC000294384456 199019067 /nfs/dbraw/zinc/01/90/67/199019067.db2.gz MGMMDKCLVNEDHE-LLVKDONJSA-N 1 2 283.335 1.753 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCC[C@@](F)(CO)C2)ccc1F ZINC000286779032 358002959 /nfs/dbraw/zinc/00/29/59/358002959.db2.gz HDYUESUXOGEOKC-AWEZNQCLSA-N 1 2 266.291 1.994 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCC[C@@](F)(CO)C2)ccc1F ZINC000286779032 358002964 /nfs/dbraw/zinc/00/29/64/358002964.db2.gz HDYUESUXOGEOKC-AWEZNQCLSA-N 1 2 266.291 1.994 20 30 CDEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000189550520 358025695 /nfs/dbraw/zinc/02/56/95/358025695.db2.gz URDXJTZAHJMYLO-KBPBESRZSA-N 1 2 274.320 1.057 20 30 CDEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000189550520 358025699 /nfs/dbraw/zinc/02/56/99/358025699.db2.gz URDXJTZAHJMYLO-KBPBESRZSA-N 1 2 274.320 1.057 20 30 CDEDLO Cn1c[nH+]cc1CN1CCN(c2ncccc2C#N)CC1 ZINC000176995454 366422008 /nfs/dbraw/zinc/42/20/08/366422008.db2.gz FLXOELVMDIIRQL-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148899 358587434 /nfs/dbraw/zinc/58/74/34/358587434.db2.gz DZICFOLVEQNCTN-LRDDRELGSA-N 1 2 298.346 1.236 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148899 358587436 /nfs/dbraw/zinc/58/74/36/358587436.db2.gz DZICFOLVEQNCTN-LRDDRELGSA-N 1 2 298.346 1.236 20 30 CDEDLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000185124817 358776010 /nfs/dbraw/zinc/77/60/10/358776010.db2.gz JZJYMOMIMDCVEA-MGNBDDOMSA-N 1 2 268.357 1.896 20 30 CDEDLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000185124817 358776012 /nfs/dbraw/zinc/77/60/12/358776012.db2.gz JZJYMOMIMDCVEA-MGNBDDOMSA-N 1 2 268.357 1.896 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1ccnc(Cl)c1 ZINC000493731667 366491126 /nfs/dbraw/zinc/49/11/26/366491126.db2.gz YTSKSSAZHYJYMJ-WSNITJDQSA-N 1 2 292.770 1.708 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000027880818 366529297 /nfs/dbraw/zinc/52/92/97/366529297.db2.gz OCPLNTNWRZEXMV-HNNXBMFYSA-N 1 2 285.391 1.255 20 30 CDEDLO C=CCNC(=O)c1ccc(N(C)Cc2[nH+]ccn2C)nc1 ZINC000270997090 359418248 /nfs/dbraw/zinc/41/82/48/359418248.db2.gz XVACQJLPUOZRFN-UHFFFAOYSA-N 1 2 285.351 1.367 20 30 CDEDLO COc1cc(C[N@@H+]2CCC[C@H]2C(N)=O)ccc1C#N ZINC000234980063 359392100 /nfs/dbraw/zinc/39/21/00/359392100.db2.gz WYJHEYZAGHNFOQ-LBPRGKRZSA-N 1 2 259.309 1.017 20 30 CDEDLO COc1cc(C[N@H+]2CCC[C@H]2C(N)=O)ccc1C#N ZINC000234980063 359392105 /nfs/dbraw/zinc/39/21/05/359392105.db2.gz WYJHEYZAGHNFOQ-LBPRGKRZSA-N 1 2 259.309 1.017 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+](C)Cc1ncnn1CC(F)F ZINC000278372271 359581131 /nfs/dbraw/zinc/58/11/31/359581131.db2.gz ABWCILKBMCYZKM-JTQLQIEISA-N 1 2 274.315 1.302 20 30 CDEDLO C=CCC[C@H](O)C[N@H+](C)Cc1ncnn1CC(F)F ZINC000278372271 359581133 /nfs/dbraw/zinc/58/11/33/359581133.db2.gz ABWCILKBMCYZKM-JTQLQIEISA-N 1 2 274.315 1.302 20 30 CDEDLO COC(=O)[C@H]([NH2+]Cc1ccc(CC#N)cc1)C1CC1 ZINC000348217920 359890755 /nfs/dbraw/zinc/89/07/55/359890755.db2.gz DXYMITYYKKNSJR-CQSZACIVSA-N 1 2 258.321 1.794 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cccc(C#N)c2F)C1=O ZINC000337202985 360024189 /nfs/dbraw/zinc/02/41/89/360024189.db2.gz FVDYPPSPEUOWQH-CQSZACIVSA-N 1 2 287.338 1.916 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2F)C1=O ZINC000337202985 360024192 /nfs/dbraw/zinc/02/41/92/360024192.db2.gz FVDYPPSPEUOWQH-CQSZACIVSA-N 1 2 287.338 1.916 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000214568986 360088309 /nfs/dbraw/zinc/08/83/09/360088309.db2.gz YRAVOXHNUJVYHR-SECBINFHSA-N 1 2 272.268 1.559 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000245573200 360715517 /nfs/dbraw/zinc/71/55/17/360715517.db2.gz ACJZIZSULVBTNN-OLZOCXBDSA-N 1 2 289.383 1.397 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000245573200 360715524 /nfs/dbraw/zinc/71/55/24/360715524.db2.gz ACJZIZSULVBTNN-OLZOCXBDSA-N 1 2 289.383 1.397 20 30 CDEDLO Cc1ccoc1C[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000429370663 360815346 /nfs/dbraw/zinc/81/53/46/360815346.db2.gz WPQCQHQTEKXIBO-UHFFFAOYSA-N 1 2 261.325 1.582 20 30 CDEDLO Cc1ccoc1C[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000429370663 360815350 /nfs/dbraw/zinc/81/53/50/360815350.db2.gz WPQCQHQTEKXIBO-UHFFFAOYSA-N 1 2 261.325 1.582 20 30 CDEDLO Cc1nsc(N2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000330263210 294004295 /nfs/dbraw/zinc/00/42/95/294004295.db2.gz WFDPYCJZYSEBBB-NEPJUHHUSA-N 1 2 277.397 1.661 20 30 CDEDLO COC(C[N@H+](CCCO)Cc1ccccc1C#N)OC ZINC000180640045 189267396 /nfs/dbraw/zinc/26/73/96/189267396.db2.gz GHPRIUQWYOWMSS-UHFFFAOYSA-N 1 2 278.352 1.362 20 30 CDEDLO COC(C[N@@H+](CCCO)Cc1ccccc1C#N)OC ZINC000180640045 189267397 /nfs/dbraw/zinc/26/73/97/189267397.db2.gz GHPRIUQWYOWMSS-UHFFFAOYSA-N 1 2 278.352 1.362 20 30 CDEDLO C[N@H+](CC(=O)NCCc1ccc(F)cc1)CC(C)(C)C#N ZINC000433290411 361227140 /nfs/dbraw/zinc/22/71/40/361227140.db2.gz SOEZFBFGWOMQFD-UHFFFAOYSA-N 1 2 291.370 1.966 20 30 CDEDLO C[N@@H+](CC(=O)NCCc1ccc(F)cc1)CC(C)(C)C#N ZINC000433290411 361227141 /nfs/dbraw/zinc/22/71/41/361227141.db2.gz SOEZFBFGWOMQFD-UHFFFAOYSA-N 1 2 291.370 1.966 20 30 CDEDLO Cc1cc(=O)n2nc(C[N@@H+](C)CC(C)(C)C#N)sc2n1 ZINC000433302360 361230059 /nfs/dbraw/zinc/23/00/59/361230059.db2.gz IWUUCWRZUZNJAP-UHFFFAOYSA-N 1 2 291.380 1.441 20 30 CDEDLO Cc1cc(=O)n2nc(C[N@H+](C)CC(C)(C)C#N)sc2n1 ZINC000433302360 361230063 /nfs/dbraw/zinc/23/00/63/361230063.db2.gz IWUUCWRZUZNJAP-UHFFFAOYSA-N 1 2 291.380 1.441 20 30 CDEDLO C[N@H+](CC#Cc1ccc(F)cc1)[C@H]1CCCCNC1=O ZINC000158478277 361253975 /nfs/dbraw/zinc/25/39/75/361253975.db2.gz QMOZKPLWNIAWLU-HNNXBMFYSA-N 1 2 274.339 1.778 20 30 CDEDLO C[N@@H+](CC#Cc1ccc(F)cc1)[C@H]1CCCCNC1=O ZINC000158478277 361253982 /nfs/dbraw/zinc/25/39/82/361253982.db2.gz QMOZKPLWNIAWLU-HNNXBMFYSA-N 1 2 274.339 1.778 20 30 CDEDLO CCc1nc2n(n1)C[C@H](NC(=O)CCc1[nH]cc[nH+]1)CC2 ZINC000329283928 361468538 /nfs/dbraw/zinc/46/85/38/361468538.db2.gz NRHMHHIAWJICPF-SNVBAGLBSA-N 1 2 288.355 1.468 20 30 CDEDLO C[C@@H]1CC(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)C[C@@H](C)O1 ZINC000329321418 361478601 /nfs/dbraw/zinc/47/86/01/361478601.db2.gz UMJPKMTXJKFLSB-YRGRVCCFSA-N 1 2 299.415 1.024 20 30 CDEDLO C[C@@H]1CC(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C[C@@H](C)O1 ZINC000329321418 361478604 /nfs/dbraw/zinc/47/86/04/361478604.db2.gz UMJPKMTXJKFLSB-YRGRVCCFSA-N 1 2 299.415 1.024 20 30 CDEDLO Cn1c2ccccc2[nH+]c1CCN1CC(C)(C#N)C1 ZINC000562496172 361518143 /nfs/dbraw/zinc/51/81/43/361518143.db2.gz IMYYUNFAROCZEX-UHFFFAOYSA-N 1 2 254.337 1.961 20 30 CDEDLO C=C1CC[NH+](Cc2nc(-c3ccc(OC)nn3)no2)CC1 ZINC000562697637 361713659 /nfs/dbraw/zinc/71/36/59/361713659.db2.gz CXVMVJGLYUTNNP-UHFFFAOYSA-N 1 2 287.323 1.687 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000527048165 364060239 /nfs/dbraw/zinc/06/02/39/364060239.db2.gz JPQNFAMRASCXDE-GFCCVEGCSA-N 1 2 299.374 1.701 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2ccc(O)cc2C1 ZINC000527048165 364060246 /nfs/dbraw/zinc/06/02/46/364060246.db2.gz JPQNFAMRASCXDE-GFCCVEGCSA-N 1 2 299.374 1.701 20 30 CDEDLO O=C1OCC[C@@H]2C[N@H+](CC#Cc3ccccc3)CCN12 ZINC000496825611 366854007 /nfs/dbraw/zinc/85/40/07/366854007.db2.gz BVCLOFNXWNVKAF-OAHLLOKOSA-N 1 2 270.332 1.565 20 30 CDEDLO O=C1OCC[C@@H]2C[N@@H+](CC#Cc3ccccc3)CCN12 ZINC000496825611 366854011 /nfs/dbraw/zinc/85/40/11/366854011.db2.gz BVCLOFNXWNVKAF-OAHLLOKOSA-N 1 2 270.332 1.565 20 30 CDEDLO CC[N@H+](CCC#N)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000497071413 366866419 /nfs/dbraw/zinc/86/64/19/366866419.db2.gz JXDYXFAUWCASQC-GFCCVEGCSA-N 1 2 285.388 1.450 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000497071413 366866424 /nfs/dbraw/zinc/86/64/24/366866424.db2.gz JXDYXFAUWCASQC-GFCCVEGCSA-N 1 2 285.388 1.450 20 30 CDEDLO N#CCC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000563959925 364788024 /nfs/dbraw/zinc/78/80/24/364788024.db2.gz LOPCOTTWLIMUPL-CYBMUJFWSA-N 1 2 272.352 1.598 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+]Cc1nncn1-c1ccccc1 ZINC000562986566 364915509 /nfs/dbraw/zinc/91/55/09/364915509.db2.gz ZKLDJNITUSNVIH-CYBMUJFWSA-N 1 2 280.335 1.800 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000491305386 364945556 /nfs/dbraw/zinc/94/55/56/364945556.db2.gz ITFXOOHUEIHTOF-SNVBAGLBSA-N 1 2 258.312 1.444 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000491327468 364966071 /nfs/dbraw/zinc/96/60/71/364966071.db2.gz VQENTRVGDNMCAN-LLVKDONJSA-N 1 2 276.384 1.610 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000491327468 364966076 /nfs/dbraw/zinc/96/60/76/364966076.db2.gz VQENTRVGDNMCAN-LLVKDONJSA-N 1 2 276.384 1.610 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCCc2ccncc2)nn1 ZINC000641143420 365102190 /nfs/dbraw/zinc/10/21/90/365102190.db2.gz PDEINUWEWTVFOD-UHFFFAOYSA-N 1 2 269.352 1.419 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2nnc(C)s2)nn1 ZINC000641144973 365105055 /nfs/dbraw/zinc/10/50/55/365105055.db2.gz UDHIRDNCVXIBMO-SECBINFHSA-N 1 2 276.369 1.160 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)s1 ZINC000121496263 365392018 /nfs/dbraw/zinc/39/20/18/365392018.db2.gz ICYPWWHQYOGVIF-CYBMUJFWSA-N 1 2 275.377 1.863 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)s1 ZINC000121496263 365392022 /nfs/dbraw/zinc/39/20/22/365392022.db2.gz ICYPWWHQYOGVIF-CYBMUJFWSA-N 1 2 275.377 1.863 20 30 CDEDLO C[N@H+](Cc1cnc(N2CCOCC2)s1)CC(C)(C)C#N ZINC000354011184 365398959 /nfs/dbraw/zinc/39/89/59/365398959.db2.gz RQCLASPZIIMLPW-UHFFFAOYSA-N 1 2 294.424 1.961 20 30 CDEDLO C[N@@H+](Cc1cnc(N2CCOCC2)s1)CC(C)(C)C#N ZINC000354011184 365398965 /nfs/dbraw/zinc/39/89/65/365398965.db2.gz RQCLASPZIIMLPW-UHFFFAOYSA-N 1 2 294.424 1.961 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000275763661 193122730 /nfs/dbraw/zinc/12/27/30/193122730.db2.gz SAKWSOQKAZNSTL-RYUDHWBXSA-N 1 2 277.372 1.055 20 30 CDEDLO Cc1nnc([C@H](C)[NH2+][C@H](C)C(=O)N[C@](C)(C#N)C(C)C)o1 ZINC000543541800 368926037 /nfs/dbraw/zinc/92/60/37/368926037.db2.gz ROVAIUHEBFKJBI-ISTVAULSSA-N 1 2 293.371 1.472 20 30 CDEDLO C#CC[NH+]1CCN(Cn2nc(C)sc2=S)CC1 ZINC000071852637 368943018 /nfs/dbraw/zinc/94/30/18/368943018.db2.gz JBLGBZVSLNBJIO-UHFFFAOYSA-N 1 2 268.411 1.191 20 30 CDEDLO C#CC[NH+]1CCN(CN2C[C@@H](CC(C)C)CC2=O)CC1 ZINC000072915348 369149965 /nfs/dbraw/zinc/14/99/65/369149965.db2.gz SOTVEQIYMTVFGL-HNNXBMFYSA-N 1 2 277.412 1.089 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCOc1ccccc1 ZINC000565296888 370411779 /nfs/dbraw/zinc/41/17/79/370411779.db2.gz SRSKMERRXLXPPH-MRXNPFEDSA-N 1 2 289.379 1.806 20 30 CDEDLO CO[C@@H]1CCC[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000566072102 370600352 /nfs/dbraw/zinc/60/03/52/370600352.db2.gz XIVHSYCTBYVEQE-OUCADQQQSA-N 1 2 267.373 1.152 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000566183732 370638655 /nfs/dbraw/zinc/63/86/55/370638655.db2.gz DZNYWPJHBZMGOO-DZGCQCFKSA-N 1 2 293.411 1.684 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000566183732 370638659 /nfs/dbraw/zinc/63/86/59/370638659.db2.gz DZNYWPJHBZMGOO-DZGCQCFKSA-N 1 2 293.411 1.684 20 30 CDEDLO C=CCOc1cccc(C[NH+]2CCN(CCO)CC2)c1 ZINC000171926406 372210255 /nfs/dbraw/zinc/21/02/55/372210255.db2.gz NGBLIPPZJBXJQS-UHFFFAOYSA-N 1 2 276.380 1.361 20 30 CDEDLO C#CC[NH+](CC#C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000174523139 372593990 /nfs/dbraw/zinc/59/39/90/372593990.db2.gz DUQBBGDJWNVXLH-OAHLLOKOSA-N 1 2 268.316 1.580 20 30 CDEDLO CN(CC(=O)NCc1cccc(C#N)c1)Cc1[nH+]ccn1C ZINC000348288455 373098351 /nfs/dbraw/zinc/09/83/51/373098351.db2.gz OCYJZVNXEPIWDW-UHFFFAOYSA-N 1 2 297.362 1.040 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000630928042 373392793 /nfs/dbraw/zinc/39/27/93/373392793.db2.gz PBHGACNREWTRPE-LBPRGKRZSA-N 1 2 252.358 1.180 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000630928042 373392798 /nfs/dbraw/zinc/39/27/98/373392798.db2.gz PBHGACNREWTRPE-LBPRGKRZSA-N 1 2 252.358 1.180 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCN(CCC#N)Cc1ccccn1 ZINC000191532649 373515490 /nfs/dbraw/zinc/51/54/90/373515490.db2.gz KNFGULXHJLZXQS-OAHLLOKOSA-N 1 2 288.395 1.518 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCN(CCC#N)Cc1ccccn1 ZINC000191532649 373515495 /nfs/dbraw/zinc/51/54/95/373515495.db2.gz KNFGULXHJLZXQS-OAHLLOKOSA-N 1 2 288.395 1.518 20 30 CDEDLO CS[C@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000296250677 373809713 /nfs/dbraw/zinc/80/97/13/373809713.db2.gz LLSOPJJNVPRXKO-JTQLQIEISA-N 1 2 281.406 1.996 20 30 CDEDLO CS[C@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000296250677 373809717 /nfs/dbraw/zinc/80/97/17/373809717.db2.gz LLSOPJJNVPRXKO-JTQLQIEISA-N 1 2 281.406 1.996 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1c[nH]nc1C ZINC000639966842 373880053 /nfs/dbraw/zinc/88/00/53/373880053.db2.gz GUKGYBTVXUCNNO-ZDUSSCGKSA-N 1 2 278.400 1.963 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1c[nH]nc1C ZINC000639966842 373880058 /nfs/dbraw/zinc/88/00/58/373880058.db2.gz GUKGYBTVXUCNNO-ZDUSSCGKSA-N 1 2 278.400 1.963 20 30 CDEDLO CC(C)[N@H+](CCS(C)(=O)=O)Cc1ccc(C#N)cc1 ZINC000299341661 373903443 /nfs/dbraw/zinc/90/34/43/373903443.db2.gz DYMRXSDACHSMDG-UHFFFAOYSA-N 1 2 280.393 1.813 20 30 CDEDLO CC(C)[N@@H+](CCS(C)(=O)=O)Cc1ccc(C#N)cc1 ZINC000299341661 373903450 /nfs/dbraw/zinc/90/34/50/373903450.db2.gz DYMRXSDACHSMDG-UHFFFAOYSA-N 1 2 280.393 1.813 20 30 CDEDLO N#Cc1cc(NCc2ccc[nH+]c2N2CCOCC2)ccn1 ZINC000299643890 373918517 /nfs/dbraw/zinc/91/85/17/373918517.db2.gz KYQFECBUMUGSIV-UHFFFAOYSA-N 1 2 295.346 1.797 20 30 CDEDLO Cc1[nH+]c2ccccn2c1Cn1nc(C)c(C)c(C#N)c1=O ZINC000357989418 373941686 /nfs/dbraw/zinc/94/16/86/373941686.db2.gz NGKNQXSONSRRRJ-UHFFFAOYSA-N 1 2 293.330 1.736 20 30 CDEDLO N#Cc1ccc(F)c(CN2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000062980018 374178678 /nfs/dbraw/zinc/17/86/78/374178678.db2.gz XKBWBWQLNLURPB-HNNXBMFYSA-N 1 2 289.354 1.604 20 30 CDEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000113260366 374248318 /nfs/dbraw/zinc/24/83/18/374248318.db2.gz PTLPWMWBGFXAQL-MNOVXSKESA-N 1 2 298.383 1.951 20 30 CDEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000113260366 374248324 /nfs/dbraw/zinc/24/83/24/374248324.db2.gz PTLPWMWBGFXAQL-MNOVXSKESA-N 1 2 298.383 1.951 20 30 CDEDLO Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1C#N ZINC000369105936 374345502 /nfs/dbraw/zinc/34/55/02/374345502.db2.gz CGMWAGZAYHRILI-MRXNPFEDSA-N 1 2 299.374 1.413 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCn2cc[nH+]c2C1 ZINC000315633675 374460393 /nfs/dbraw/zinc/46/03/93/374460393.db2.gz VCIDFVGBWUWXGV-LBPRGKRZSA-N 1 2 295.346 1.598 20 30 CDEDLO N#Cc1ccc(CC(=O)NCCn2cc[nH+]c2)cc1 ZINC000070158639 374650263 /nfs/dbraw/zinc/65/02/63/374650263.db2.gz RGFPFFAXPMPJEB-UHFFFAOYSA-N 1 2 254.293 1.114 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)NCCNc2cccc[nH+]2)C1 ZINC000425606867 374665343 /nfs/dbraw/zinc/66/53/43/374665343.db2.gz GAEBJRSFLLJEKH-NWDGAFQWSA-N 1 2 273.340 1.485 20 30 CDEDLO N#Cc1ccccc1N1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000328612822 374717286 /nfs/dbraw/zinc/71/72/86/374717286.db2.gz PTKZNPSLZQWDQC-HNNXBMFYSA-N 1 2 284.363 1.799 20 30 CDEDLO N#Cc1ncccc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000277946381 374825023 /nfs/dbraw/zinc/82/50/23/374825023.db2.gz VOSSVXNNOZXFDR-UHFFFAOYSA-N 1 2 295.346 1.797 20 30 CDEDLO N#Cc1c(F)cccc1NCC1([NH+]2CCOCC2)CC1 ZINC000277476659 374789233 /nfs/dbraw/zinc/78/92/33/374789233.db2.gz QPROHDRLGOVQQT-UHFFFAOYSA-N 1 2 275.327 1.974 20 30 CDEDLO CC[N@H+](Cc1ccc(C#N)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000331110696 374889971 /nfs/dbraw/zinc/88/99/71/374889971.db2.gz LAJNDGGJNPVDDS-OAHLLOKOSA-N 1 2 292.404 1.876 20 30 CDEDLO CC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000331110696 374889974 /nfs/dbraw/zinc/88/99/74/374889974.db2.gz LAJNDGGJNPVDDS-OAHLLOKOSA-N 1 2 292.404 1.876 20 30 CDEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCS(C)(=O)=O ZINC000122863049 296225331 /nfs/dbraw/zinc/22/53/31/296225331.db2.gz TYONMPHWWMUTGP-NSHDSACASA-N 1 2 266.366 1.596 20 30 CDEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCS(C)(=O)=O ZINC000122863049 296225332 /nfs/dbraw/zinc/22/53/32/296225332.db2.gz TYONMPHWWMUTGP-NSHDSACASA-N 1 2 266.366 1.596 20 30 CDEDLO N#Cc1cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccn1 ZINC000332468736 375034301 /nfs/dbraw/zinc/03/43/01/375034301.db2.gz TXNFIKDOGVSRRM-UHFFFAOYSA-N 1 2 281.319 1.696 20 30 CDEDLO COc1cc(C[N@@H+]2CC[C@@H](C)[S@@](=O)CC2)ccc1C#N ZINC000282451360 375085817 /nfs/dbraw/zinc/08/58/17/375085817.db2.gz VBHOWIAREUKPGO-ODXCJYRJSA-N 1 2 292.404 1.910 20 30 CDEDLO COc1cc(C[N@H+]2CC[C@@H](C)[S@@](=O)CC2)ccc1C#N ZINC000282451360 375085824 /nfs/dbraw/zinc/08/58/24/375085824.db2.gz VBHOWIAREUKPGO-ODXCJYRJSA-N 1 2 292.404 1.910 20 30 CDEDLO C=CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000047606215 375232320 /nfs/dbraw/zinc/23/23/20/375232320.db2.gz HACCVUGJSZJASI-HNNXBMFYSA-N 1 2 289.379 1.545 20 30 CDEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cc(C#N)c[nH]3)n2)C1 ZINC000227113856 375445361 /nfs/dbraw/zinc/44/53/61/375445361.db2.gz VUTQPPYDZLXLSV-GFCCVEGCSA-N 1 2 287.323 1.718 20 30 CDEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cc(C#N)c[nH]3)n2)C1 ZINC000227113856 375445370 /nfs/dbraw/zinc/44/53/70/375445370.db2.gz VUTQPPYDZLXLSV-GFCCVEGCSA-N 1 2 287.323 1.718 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000495915569 375693230 /nfs/dbraw/zinc/69/32/30/375693230.db2.gz QIVKIRBRXMUDDM-CQSZACIVSA-N 1 2 291.326 1.970 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000495915569 375693237 /nfs/dbraw/zinc/69/32/37/375693237.db2.gz QIVKIRBRXMUDDM-CQSZACIVSA-N 1 2 291.326 1.970 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2CCNC(=O)[C@H]2C)c1 ZINC000123433903 375839874 /nfs/dbraw/zinc/83/98/74/375839874.db2.gz DENJZYLMVXMGEJ-GFCCVEGCSA-N 1 2 260.337 1.572 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2CCNC(=O)[C@H]2C)c1 ZINC000123433903 375839879 /nfs/dbraw/zinc/83/98/79/375839879.db2.gz DENJZYLMVXMGEJ-GFCCVEGCSA-N 1 2 260.337 1.572 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCC2(C)CC2)C1 ZINC000328770424 375951540 /nfs/dbraw/zinc/95/15/40/375951540.db2.gz ADRODHLRJCFTOZ-NSHDSACASA-N 1 2 262.357 1.924 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@@H]2CCCCO2)C1 ZINC000328884295 375998962 /nfs/dbraw/zinc/99/89/62/375998962.db2.gz YKYPIDFCAMQXLU-OLZOCXBDSA-N 1 2 292.383 1.693 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCO1 ZINC000245727485 376153424 /nfs/dbraw/zinc/15/34/24/376153424.db2.gz JCJVHKGASHBVJM-XJKSGUPXSA-N 1 2 290.363 1.825 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCO1 ZINC000245727485 376153431 /nfs/dbraw/zinc/15/34/31/376153431.db2.gz JCJVHKGASHBVJM-XJKSGUPXSA-N 1 2 290.363 1.825 20 30 CDEDLO CC[NH+](CC)CC(=O)Nc1n[nH]c(-c2ccccn2)n1 ZINC000068086020 376706206 /nfs/dbraw/zinc/70/62/06/376706206.db2.gz IPCQFDCZLRKDPP-UHFFFAOYSA-N 1 2 274.328 1.797 20 30 CDEDLO CC[NH+](CC)CC(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000068086020 376706209 /nfs/dbraw/zinc/70/62/09/376706209.db2.gz IPCQFDCZLRKDPP-UHFFFAOYSA-N 1 2 274.328 1.797 20 30 CDEDLO C[C@H]1[C@@H](NS(=O)(=O)c2ccc(C#N)s2)CCC[N@@H+]1C ZINC000435436006 248169272 /nfs/dbraw/zinc/16/92/72/248169272.db2.gz CZHONRNCGPDISD-ONGXEEELSA-N 1 2 299.421 1.381 20 30 CDEDLO C[C@H]1[C@@H](NS(=O)(=O)c2ccc(C#N)s2)CCC[N@H+]1C ZINC000435436006 248169277 /nfs/dbraw/zinc/16/92/77/248169277.db2.gz CZHONRNCGPDISD-ONGXEEELSA-N 1 2 299.421 1.381 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CCNc1ncncc1C#N ZINC000574866628 295065430 /nfs/dbraw/zinc/06/54/30/295065430.db2.gz VWZRXASWXOZTGV-UHFFFAOYSA-N 1 2 278.319 1.540 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCNC(=O)C2(C)C)cc1 ZINC000093084668 378043123 /nfs/dbraw/zinc/04/31/23/378043123.db2.gz XPHUFGLFNJQSCM-UHFFFAOYSA-N 1 2 272.348 1.409 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCNC(=O)C2(C)C)cc1 ZINC000093084668 378043128 /nfs/dbraw/zinc/04/31/28/378043128.db2.gz XPHUFGLFNJQSCM-UHFFFAOYSA-N 1 2 272.348 1.409 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+](CCOC)[C@H](C)C(N)=O ZINC000093138808 378047004 /nfs/dbraw/zinc/04/70/04/378047004.db2.gz VJOFBKLRQLPBTH-CYBMUJFWSA-N 1 2 290.363 1.021 20 30 CDEDLO C#CCOc1ccccc1C[N@H+](CCOC)[C@H](C)C(N)=O ZINC000093138808 378047009 /nfs/dbraw/zinc/04/70/09/378047009.db2.gz VJOFBKLRQLPBTH-CYBMUJFWSA-N 1 2 290.363 1.021 20 30 CDEDLO C=CCNC(=O)CNC(=O)Nc1c(C)cc[nH+]c1C ZINC000287517532 378260398 /nfs/dbraw/zinc/26/03/98/378260398.db2.gz MOFKFBOKWGTIER-UHFFFAOYSA-N 1 2 262.313 1.122 20 30 CDEDLO C#CCNC(=O)CC[NH2+]C1(c2noc(C)n2)CCCCC1 ZINC000292847036 378520342 /nfs/dbraw/zinc/52/03/42/378520342.db2.gz QDFKKXASWAEHPV-UHFFFAOYSA-N 1 2 290.367 1.267 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(F)cc1F ZINC000293119611 378538577 /nfs/dbraw/zinc/53/85/77/378538577.db2.gz MFXKLHIXWVJEKA-UHFFFAOYSA-N 1 2 252.264 1.858 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(F)cc1F ZINC000293119611 378538582 /nfs/dbraw/zinc/53/85/82/378538582.db2.gz MFXKLHIXWVJEKA-UHFFFAOYSA-N 1 2 252.264 1.858 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000293620531 378577014 /nfs/dbraw/zinc/57/70/14/378577014.db2.gz WDFXIGMKCDWFAB-UHFFFAOYSA-N 1 2 292.379 1.857 20 30 CDEDLO C=CCCCS(=O)(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000292948309 378529267 /nfs/dbraw/zinc/52/92/67/378529267.db2.gz JOIDYGDIKDULFN-UHFFFAOYSA-N 1 2 283.397 1.533 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000278528826 194028825 /nfs/dbraw/zinc/02/88/25/194028825.db2.gz DOZVXRQAVYFCAM-INIZCTEOSA-N 1 2 289.379 1.053 20 30 CDEDLO OC[C@H]1CSCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000343720998 378946689 /nfs/dbraw/zinc/94/66/89/378946689.db2.gz BZJHGEVDDQMFMO-AWEZNQCLSA-N 1 2 265.353 1.587 20 30 CDEDLO OC[C@H]1CSCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000343720998 378946693 /nfs/dbraw/zinc/94/66/93/378946693.db2.gz BZJHGEVDDQMFMO-AWEZNQCLSA-N 1 2 265.353 1.587 20 30 CDEDLO Cc1noc([C@H](C)O[NH+]=C(N)Cc2ccccc2)n1 ZINC000069898318 379091583 /nfs/dbraw/zinc/09/15/83/379091583.db2.gz JZQWONJFCPYROR-VIFPVBQESA-N 1 2 260.297 1.971 20 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ZINC000298307572 392739894 /nfs/dbraw/zinc/73/98/94/392739894.db2.gz YHNPHAOTCWTMBF-JKSUJKDBSA-N 1 2 299.374 1.774 20 30 CDEDLO CC[C@H]1C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000298307572 392739903 /nfs/dbraw/zinc/73/99/03/392739903.db2.gz YHNPHAOTCWTMBF-JKSUJKDBSA-N 1 2 299.374 1.774 20 30 CDEDLO CC#CC[C@@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000649189955 392973412 /nfs/dbraw/zinc/97/34/12/392973412.db2.gz QAMNKTUKDHBBOG-AWEZNQCLSA-N 1 2 283.331 1.376 20 30 CDEDLO CC#CC[C@@H](CO)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000649188592 392970348 /nfs/dbraw/zinc/97/03/48/392970348.db2.gz NLTUXVOCHOPAFA-ZDUSSCGKSA-N 1 2 285.347 1.076 20 30 CDEDLO Cc1cc(NCCCOC[C@H]2CCCO2)c(C#N)c[nH+]1 ZINC000425199128 392992539 /nfs/dbraw/zinc/99/25/39/392992539.db2.gz GRSFSAKTTBVIAF-CQSZACIVSA-N 1 2 275.352 1.681 20 30 CDEDLO Cc1cc(N(C)CC[NH+]2CCOCC2)c(C#N)cn1 ZINC000425220449 392996179 /nfs/dbraw/zinc/99/61/79/392996179.db2.gz DSZRCFYBWIGBGN-UHFFFAOYSA-N 1 2 260.341 1.030 20 30 CDEDLO Cc1cc(NC[C@@H]2CC(=O)N(C3CC3)C2)c(C#N)c[nH+]1 ZINC000425244828 393002305 /nfs/dbraw/zinc/00/23/05/393002305.db2.gz HZDJHYGMXYAKOD-NSHDSACASA-N 1 2 270.336 1.106 20 30 CDEDLO COCCOCCOCCN(C)c1cc(C)[nH+]cc1C#N ZINC000425251640 393005617 /nfs/dbraw/zinc/00/56/17/393005617.db2.gz FVBPMOWEVJOXHC-UHFFFAOYSA-N 1 2 293.367 1.378 20 30 CDEDLO COc1ccc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)cc1C#N ZINC000493782073 393219963 /nfs/dbraw/zinc/21/99/63/393219963.db2.gz SVNVFYZBNFWMHC-ZDUSSCGKSA-N 1 2 287.319 1.203 20 30 CDEDLO COc1ccc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)cc1C#N ZINC000493782073 393219968 /nfs/dbraw/zinc/21/99/68/393219968.db2.gz SVNVFYZBNFWMHC-ZDUSSCGKSA-N 1 2 287.319 1.203 20 30 CDEDLO Cc1nc(N)c(CNC(=O)C=Cc2cccc(C#N)c2)c[nH+]1 ZINC000493592363 393215737 /nfs/dbraw/zinc/21/57/37/393215737.db2.gz RCVUCRBPFDENJB-AATRIKPKSA-N 1 2 293.330 1.399 20 30 CDEDLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc(C#N)cc1 ZINC000116287334 147269178 /nfs/dbraw/zinc/26/91/78/147269178.db2.gz UPCNDXAUTSRXLG-UONOGXRCSA-N 1 2 274.320 1.321 20 30 CDEDLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000116287334 147269180 /nfs/dbraw/zinc/26/91/80/147269180.db2.gz UPCNDXAUTSRXLG-UONOGXRCSA-N 1 2 274.320 1.321 20 30 CDEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000178534906 148065899 /nfs/dbraw/zinc/06/58/99/148065899.db2.gz DDDCMZVWOAUVHX-LBPRGKRZSA-N 1 2 297.362 1.715 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCn3c[nH+]cc3C2)s1 ZINC000336022604 151203647 /nfs/dbraw/zinc/20/36/47/151203647.db2.gz WFHSSATWIZXAPH-UHFFFAOYSA-N 1 2 258.306 1.472 20 30 CDEDLO N#Cc1csc(C[N@H+]2CCC[C@@]3(CNC(=O)C3)C2)n1 ZINC000356124805 157366032 /nfs/dbraw/zinc/36/60/32/157366032.db2.gz QJTRMOJMZQBBJI-CYBMUJFWSA-N 1 2 276.365 1.117 20 30 CDEDLO N#Cc1csc(C[N@@H+]2CCC[C@@]3(CNC(=O)C3)C2)n1 ZINC000356124805 157366035 /nfs/dbraw/zinc/36/60/35/157366035.db2.gz QJTRMOJMZQBBJI-CYBMUJFWSA-N 1 2 276.365 1.117 20 30 CDEDLO N#Cc1cc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)c[nH]1 ZINC000374373188 160279732 /nfs/dbraw/zinc/27/97/32/160279732.db2.gz HEOLJQMYXAIJJM-AWEZNQCLSA-N 1 2 281.319 1.068 20 30 CDEDLO CC#CC[N@@H+]1CCc2c(cccc2S(=O)(=O)N(C)C)C1 ZINC000284924694 196158814 /nfs/dbraw/zinc/15/88/14/196158814.db2.gz VXYFTDZAKBIBKD-UHFFFAOYSA-N 1 2 292.404 1.318 20 30 CDEDLO CC#CC[N@H+]1CCc2c(cccc2S(=O)(=O)N(C)C)C1 ZINC000284924694 196158816 /nfs/dbraw/zinc/15/88/16/196158816.db2.gz VXYFTDZAKBIBKD-UHFFFAOYSA-N 1 2 292.404 1.318 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000664809683 413665871 /nfs/dbraw/zinc/66/58/71/413665871.db2.gz JNDGZJZTQNXVND-MCIONIFRSA-N 1 2 283.416 1.750 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000664809683 413665880 /nfs/dbraw/zinc/66/58/80/413665880.db2.gz JNDGZJZTQNXVND-MCIONIFRSA-N 1 2 283.416 1.750 20 30 CDEDLO C=CC(C)(C)CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661268599 413935962 /nfs/dbraw/zinc/93/59/62/413935962.db2.gz GMVYWAVZLDJMQW-CYBMUJFWSA-N 1 2 281.400 1.315 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2cccc(C(=O)NC)c2)nn1 ZINC000657299107 414134910 /nfs/dbraw/zinc/13/49/10/414134910.db2.gz XNUBLEITAWBHLA-UHFFFAOYSA-N 1 2 299.378 1.504 20 30 CDEDLO C=CCCn1cc(C[NH2+]C[C@@](C)(O)C(F)(F)F)nn1 ZINC000657418024 414304669 /nfs/dbraw/zinc/30/46/69/414304669.db2.gz HJFVUWUVFNDOPS-SNVBAGLBSA-N 1 2 278.278 1.257 20 30 CDEDLO COCC[N@H+](CCC#N)C[C@@H](O)c1ccc(C#N)cc1 ZINC000071224007 176088406 /nfs/dbraw/zinc/08/84/06/176088406.db2.gz XAVFMYBSXYHTEZ-OAHLLOKOSA-N 1 2 273.336 1.454 20 30 CDEDLO COCC[N@@H+](CCC#N)C[C@@H](O)c1ccc(C#N)cc1 ZINC000071224007 176088407 /nfs/dbraw/zinc/08/84/07/176088407.db2.gz XAVFMYBSXYHTEZ-OAHLLOKOSA-N 1 2 273.336 1.454 20 30 CDEDLO C=CC[N@@H+](CCCS(C)(=O)=O)Cc1cccc(C#N)c1 ZINC000078489261 177346114 /nfs/dbraw/zinc/34/61/14/177346114.db2.gz GRXIFHPLFGIOTF-UHFFFAOYSA-N 1 2 292.404 1.981 20 30 CDEDLO C=CC[N@H+](CCCS(C)(=O)=O)Cc1cccc(C#N)c1 ZINC000078489261 177346115 /nfs/dbraw/zinc/34/61/15/177346115.db2.gz GRXIFHPLFGIOTF-UHFFFAOYSA-N 1 2 292.404 1.981 20 30 CDEDLO Cc1ccc(NC(=O)c2cn([C@@H]3CCOC3)nn2)c(C)[nH+]1 ZINC000330067745 228032041 /nfs/dbraw/zinc/03/20/41/228032041.db2.gz USSQUKDTFJJNIB-LLVKDONJSA-N 1 2 287.323 1.888 20 30 CDEDLO Cc1nc(CC2CC2)oc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000330027796 228020626 /nfs/dbraw/zinc/02/06/26/228020626.db2.gz NOQFKISFBMPBFN-LBPRGKRZSA-N 1 2 293.367 1.571 20 30 CDEDLO Cc1nc(CC2CC2)oc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000330027796 228020629 /nfs/dbraw/zinc/02/06/29/228020629.db2.gz NOQFKISFBMPBFN-LBPRGKRZSA-N 1 2 293.367 1.571 20 30 CDEDLO Cc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cn1 ZINC000330289226 228094507 /nfs/dbraw/zinc/09/45/07/228094507.db2.gz BWIMBLLQKWLMOW-GFCCVEGCSA-N 1 2 256.309 1.906 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@]1(C#N)CC12CCCC2 ZINC000333204994 228193087 /nfs/dbraw/zinc/19/30/87/228193087.db2.gz OKCHWGFILUCLNN-XJKSGUPXSA-N 1 2 291.395 1.297 20 30 CDEDLO C=CCSCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000171922541 335084996 /nfs/dbraw/zinc/08/49/96/335084996.db2.gz KSKXQBSNQZSJPJ-UHFFFAOYSA-N 1 2 261.350 1.983 20 30 CDEDLO N#CCC[N@H+](CC(=O)NCc1cccs1)CC1CC1 ZINC000081043816 260329939 /nfs/dbraw/zinc/32/99/39/260329939.db2.gz URUSOTRSLRFRDU-UHFFFAOYSA-N 1 2 277.393 1.990 20 30 CDEDLO N#CCC[N@@H+](CC(=O)NCc1cccs1)CC1CC1 ZINC000081043816 260329937 /nfs/dbraw/zinc/32/99/37/260329937.db2.gz URUSOTRSLRFRDU-UHFFFAOYSA-N 1 2 277.393 1.990 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC#N)Cc1ccccn1 ZINC000518214643 260358331 /nfs/dbraw/zinc/35/83/31/260358331.db2.gz XPPGIFHFPGZGBG-CYBMUJFWSA-N 1 2 297.362 1.926 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC#N)Cc1ccccn1 ZINC000518214643 260358333 /nfs/dbraw/zinc/35/83/33/260358333.db2.gz XPPGIFHFPGZGBG-CYBMUJFWSA-N 1 2 297.362 1.926 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[NH+]1Cc2ccccc2C1)C1CC1 ZINC000106305486 260631133 /nfs/dbraw/zinc/63/11/33/260631133.db2.gz TXGZUJPMATWQSK-INIZCTEOSA-N 1 2 269.348 1.811 20 30 CDEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000361098021 261161411 /nfs/dbraw/zinc/16/14/11/261161411.db2.gz UHZWCAGMMGEWEJ-SNVBAGLBSA-N 1 2 279.365 1.288 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCc1cccnc1)Cc1ccccc1 ZINC000491126128 261341087 /nfs/dbraw/zinc/34/10/87/261341087.db2.gz KZRMPYDOGSQYOG-UHFFFAOYSA-N 1 2 293.370 1.833 20 30 CDEDLO C#CC[N@H+](CC(=O)NCc1cccnc1)Cc1ccccc1 ZINC000491126128 261341089 /nfs/dbraw/zinc/34/10/89/261341089.db2.gz KZRMPYDOGSQYOG-UHFFFAOYSA-N 1 2 293.370 1.833 20 30 CDEDLO Cc1cc(N)nc(SCC(=O)N[C@@](C)(C#N)C(C)C)[nH+]1 ZINC000007048624 261376630 /nfs/dbraw/zinc/37/66/30/261376630.db2.gz DTTYNRJDGVFMQX-ZDUSSCGKSA-N 1 2 293.396 1.514 20 30 CDEDLO C#CCCCC(=O)NC1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000365285257 262358188 /nfs/dbraw/zinc/35/81/88/262358188.db2.gz IIIFQJITINPQHT-UHFFFAOYSA-N 1 2 286.379 1.674 20 30 CDEDLO CC1(C)CCCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H]1C#N ZINC000282798507 263078901 /nfs/dbraw/zinc/07/89/01/263078901.db2.gz OGKPYHFBLRYOJE-ITKZLYELSA-N 1 2 258.325 1.964 20 30 CDEDLO NC(=[NH+]OCc1nnc(-c2ccccc2)o1)[C@@H]1CCCO1 ZINC000284587306 263087521 /nfs/dbraw/zinc/08/75/21/263087521.db2.gz XTLJMHVTNIYBDC-NSHDSACASA-N 1 2 288.307 1.704 20 30 CDEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=N/OC ZINC000290283196 263115814 /nfs/dbraw/zinc/11/58/14/263115814.db2.gz ZIRKCPUYPSUXMA-RVDMUPIBSA-N 1 2 266.345 1.316 20 30 CDEDLO COCC1(C/[NH+]=C/c2cccc(O)c2O)CCOCC1 ZINC000292194451 263129352 /nfs/dbraw/zinc/12/93/52/263129352.db2.gz ZHGBLVHFYHDKOA-CXUHLZMHSA-N 1 2 279.336 1.960 20 30 CDEDLO COc1ccc(F)cc1C[NH+]1CCN(CCC#N)CC1 ZINC000298816567 263226591 /nfs/dbraw/zinc/22/65/91/263226591.db2.gz SZWAPEDQCZNWSZ-UHFFFAOYSA-N 1 2 277.343 1.866 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000342190227 263396724 /nfs/dbraw/zinc/39/67/24/263396724.db2.gz BQHUOSUXXDVGGJ-LBPRGKRZSA-N 1 2 273.336 1.178 20 30 CDEDLO CC(C)[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000330730725 264036758 /nfs/dbraw/zinc/03/67/58/264036758.db2.gz IHTZYHOMUHDINE-STQMWFEESA-N 1 2 267.373 1.104 20 30 CDEDLO CC(C)[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000330730725 264036760 /nfs/dbraw/zinc/03/67/60/264036760.db2.gz IHTZYHOMUHDINE-STQMWFEESA-N 1 2 267.373 1.104 20 30 CDEDLO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000331332240 264191893 /nfs/dbraw/zinc/19/18/93/264191893.db2.gz IAUAXYKXVTVLRB-SECBINFHSA-N 1 2 295.387 1.188 20 30 CDEDLO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000331332240 264191895 /nfs/dbraw/zinc/19/18/95/264191895.db2.gz IAUAXYKXVTVLRB-SECBINFHSA-N 1 2 295.387 1.188 20 30 CDEDLO C=CC1CC[NH+](Cc2nc(C(=O)OCC)no2)CC1 ZINC000331331116 264191954 /nfs/dbraw/zinc/19/19/54/264191954.db2.gz HMLAKBIWQIRODX-UHFFFAOYSA-N 1 2 265.313 1.644 20 30 CDEDLO COc1ccnc(C[NH+]2CCC(C#N)CC2)c1OC ZINC000188666912 264234658 /nfs/dbraw/zinc/23/46/58/264234658.db2.gz NHBTYBPXSSIKJT-UHFFFAOYSA-N 1 2 261.325 1.834 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)nn1 ZINC000653594548 424314546 /nfs/dbraw/zinc/31/45/46/424314546.db2.gz ZNDPVBXNKWYUJL-AWEZNQCLSA-N 1 2 289.383 1.051 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)nn1 ZINC000653594548 424314552 /nfs/dbraw/zinc/31/45/52/424314552.db2.gz ZNDPVBXNKWYUJL-AWEZNQCLSA-N 1 2 289.383 1.051 20 30 CDEDLO C=CCCCCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000356234051 266078724 /nfs/dbraw/zinc/07/87/24/266078724.db2.gz QMICRWUIJMGIKI-HNNXBMFYSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CCCCCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000356234051 266078725 /nfs/dbraw/zinc/07/87/25/266078725.db2.gz QMICRWUIJMGIKI-HNNXBMFYSA-N 1 2 280.412 1.960 20 30 CDEDLO CC[N@@H+](CC(=O)N1CCC[C@H](C)C1)C[C@@H](C)C#N ZINC000356472786 266121338 /nfs/dbraw/zinc/12/13/38/266121338.db2.gz JIAFTKCJAWFPDG-STQMWFEESA-N 1 2 251.374 1.726 20 30 CDEDLO CC[N@H+](CC(=O)N1CCC[C@H](C)C1)C[C@@H](C)C#N ZINC000356472786 266121342 /nfs/dbraw/zinc/12/13/42/266121342.db2.gz JIAFTKCJAWFPDG-STQMWFEESA-N 1 2 251.374 1.726 20 30 CDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CC(C)(C)C#N ZINC000367747883 267114646 /nfs/dbraw/zinc/11/46/46/267114646.db2.gz WUDKOTGUNWGLGC-OLZOCXBDSA-N 1 2 279.384 1.248 20 30 CDEDLO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)CC(C)(C)C#N ZINC000433293541 267297799 /nfs/dbraw/zinc/29/77/99/267297799.db2.gz FVZCACFVUCYPNF-UHFFFAOYSA-N 1 2 284.363 1.656 20 30 CDEDLO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)CC(C)(C)C#N ZINC000433293541 267297801 /nfs/dbraw/zinc/29/78/01/267297801.db2.gz FVZCACFVUCYPNF-UHFFFAOYSA-N 1 2 284.363 1.656 20 30 CDEDLO CC[C@H](CC#N)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001590419138 1173402832 /nfs/dbraw/zinc/40/28/32/1173402832.db2.gz DGFKXLGPSUCGTM-SECBINFHSA-N 1 2 257.301 1.096 20 30 CDEDLO C[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000182588771 288248034 /nfs/dbraw/zinc/24/80/34/288248034.db2.gz TUQHVMRGKMYYII-CZUORRHYSA-N 1 2 299.374 1.774 20 30 CDEDLO C[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000182588771 288248036 /nfs/dbraw/zinc/24/80/36/288248036.db2.gz TUQHVMRGKMYYII-CZUORRHYSA-N 1 2 299.374 1.774 20 30 CDEDLO Cc1cccc(CCCNc2cc(C#N)ncn2)[nH+]1 ZINC000553266463 290107890 /nfs/dbraw/zinc/10/78/90/290107890.db2.gz GDABLFGDPWVMIH-UHFFFAOYSA-N 1 2 253.309 1.518 20 30 CDEDLO Cc1cc(N(C)CCN2CCCC2=O)c(C#N)c[nH+]1 ZINC000563019049 293247058 /nfs/dbraw/zinc/24/70/58/293247058.db2.gz VMMCBKILHRLVLY-UHFFFAOYSA-N 1 2 258.325 1.320 20 30 CDEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ncncc1C#N ZINC000563036197 293251839 /nfs/dbraw/zinc/25/18/39/293251839.db2.gz GXTDIGWIBKDTTM-UHFFFAOYSA-N 1 2 268.324 1.517 20 30 CDEDLO C[C@@H]1C[N@H+](CCNc2ncc(C#N)cc2F)CCO1 ZINC000570497326 294249664 /nfs/dbraw/zinc/24/96/64/294249664.db2.gz PTCGJGBDLNYYCI-SNVBAGLBSA-N 1 2 264.304 1.225 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNc2ncc(C#N)cc2F)CCO1 ZINC000570497326 294249668 /nfs/dbraw/zinc/24/96/68/294249668.db2.gz PTCGJGBDLNYYCI-SNVBAGLBSA-N 1 2 264.304 1.225 20 30 CDEDLO N#Cc1nccc(NCCCc2[nH]c3ccccc3[nH+]2)n1 ZINC000570734256 294298191 /nfs/dbraw/zinc/29/81/91/294298191.db2.gz FZQSFVDCOQVNQL-UHFFFAOYSA-N 1 2 278.319 1.691 20 30 CDEDLO N#CC1(C(=O)N2CCn3cc[nH+]c3C2)CCCCC1 ZINC000062255311 303140750 /nfs/dbraw/zinc/14/07/50/303140750.db2.gz UCQRLSRIZGRCFF-UHFFFAOYSA-N 1 2 258.325 1.699 20 30 CDEDLO Cc1[nH]nc(NC(=O)C[C@@H](C)n2cc[nH+]c2)c1C#N ZINC000563334466 316254478 /nfs/dbraw/zinc/25/44/78/316254478.db2.gz LXFVJCYPWCUQAY-MRVPVSSYSA-N 1 2 258.285 1.376 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCSc1cccnc1C#N ZINC000563414463 316301647 /nfs/dbraw/zinc/30/16/47/316301647.db2.gz VAFGPOVVFZJILO-NSHDSACASA-N 1 2 263.366 1.766 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCSc1cccnc1C#N ZINC000563414463 316301650 /nfs/dbraw/zinc/30/16/50/316301650.db2.gz VAFGPOVVFZJILO-NSHDSACASA-N 1 2 263.366 1.766 20 30 CDEDLO CCN(CCC#N)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000264003055 328156559 /nfs/dbraw/zinc/15/65/59/328156559.db2.gz BJZXUNPKUAKENL-UHFFFAOYSA-N 1 2 256.309 1.639 20 30 CDEDLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000185112165 323381771 /nfs/dbraw/zinc/38/17/71/323381771.db2.gz OCTKQHFEBUASPT-YPMLDQLKSA-N 1 2 268.357 1.896 20 30 CDEDLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000185112165 323381774 /nfs/dbraw/zinc/38/17/74/323381774.db2.gz OCTKQHFEBUASPT-YPMLDQLKSA-N 1 2 268.357 1.896 20 30 CDEDLO Cc1cc(C[NH+]2CCN(Cc3ccc(C#N)cn3)CC2)on1 ZINC000582642549 325014156 /nfs/dbraw/zinc/01/41/56/325014156.db2.gz HZRZUVPHKOSWSU-UHFFFAOYSA-N 1 2 297.362 1.568 20 30 CDEDLO C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccccc1 ZINC000577283205 327257094 /nfs/dbraw/zinc/25/70/94/327257094.db2.gz OPNMZQPFGLOFJI-IUODEOHRSA-N 1 2 259.353 1.750 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NC(=O)NCc1ccccc1 ZINC000569618347 327331358 /nfs/dbraw/zinc/33/13/58/327331358.db2.gz FYTNADRMPQTKAS-ZDUSSCGKSA-N 1 2 288.351 1.294 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000520230083 328717078 /nfs/dbraw/zinc/71/70/78/328717078.db2.gz APEVDBDNDJVUKC-FZMZJTMJSA-N 1 2 261.300 1.892 20 30 CDEDLO CSCC[C@@](C)(C#N)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000583634034 328723614 /nfs/dbraw/zinc/72/36/14/328723614.db2.gz GZARBUDYGVDTOT-YPMHNXCESA-N 1 2 280.397 1.986 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)c1ccc2[nH+]ccn2c1 ZINC000171675753 329075373 /nfs/dbraw/zinc/07/53/73/329075373.db2.gz PSWZEUABEIJUHN-LLVKDONJSA-N 1 2 256.309 1.956 20 30 CDEDLO C=CC[N@@H+](C[C@@H]1CC[C@@H](C)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000188548458 329369978 /nfs/dbraw/zinc/36/99/78/329369978.db2.gz JRKCYCLKKJCGLX-UPJWGTAASA-N 1 2 273.398 1.229 20 30 CDEDLO C=CC[N@H+](C[C@@H]1CC[C@@H](C)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000188548458 329369980 /nfs/dbraw/zinc/36/99/80/329369980.db2.gz JRKCYCLKKJCGLX-UPJWGTAASA-N 1 2 273.398 1.229 20 30 CDEDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)s1 ZINC000571941813 329932336 /nfs/dbraw/zinc/93/23/36/329932336.db2.gz KVFXUABENGQHEZ-DTWKUNHWSA-N 1 2 293.396 1.448 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2c2ccncc2)CCC1 ZINC000527128032 330224913 /nfs/dbraw/zinc/22/49/13/330224913.db2.gz ZHZQSXSCLNWAHV-AWEZNQCLSA-N 1 2 284.363 1.781 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2c2ccncc2)CCC1 ZINC000527128032 330224911 /nfs/dbraw/zinc/22/49/11/330224911.db2.gz ZHZQSXSCLNWAHV-AWEZNQCLSA-N 1 2 284.363 1.781 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)C(=O)OC ZINC000449300011 330912969 /nfs/dbraw/zinc/91/29/69/330912969.db2.gz NOLROLFWGISULR-OLZOCXBDSA-N 1 2 283.368 1.422 20 30 CDEDLO Cc1cc(C)c(CNS(=O)(=O)N(C)C[C@H](C)C#N)c[nH+]1 ZINC000452040214 331051593 /nfs/dbraw/zinc/05/15/93/331051593.db2.gz JGBRJFAIGYPGBA-SNVBAGLBSA-N 1 2 296.396 1.124 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000452917627 331080385 /nfs/dbraw/zinc/08/03/85/331080385.db2.gz APGCFYZQEVFNJH-HIFRSBDPSA-N 1 2 285.347 1.804 20 30 CDEDLO C=CC(C)(C)CNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000454641273 331150375 /nfs/dbraw/zinc/15/03/75/331150375.db2.gz FFXFAAHFMIUKPW-LBPRGKRZSA-N 1 2 269.389 1.219 20 30 CDEDLO C=CC(C)(C)CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000454641273 331150376 /nfs/dbraw/zinc/15/03/76/331150376.db2.gz FFXFAAHFMIUKPW-LBPRGKRZSA-N 1 2 269.389 1.219 20 30 CDEDLO C=C(C)COCCNC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000454701477 331151776 /nfs/dbraw/zinc/15/17/76/331151776.db2.gz XFJDGIGIHVRWTC-NWDGAFQWSA-N 1 2 278.356 1.781 20 30 CDEDLO CN(C)c1ccc(CNC(=O)NCC(C)(C)CC#N)c[nH+]1 ZINC000457695648 331231399 /nfs/dbraw/zinc/23/13/99/331231399.db2.gz ORLADGAEMCIWIH-UHFFFAOYSA-N 1 2 289.383 1.887 20 30 CDEDLO C=CCCCCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458686033 331256992 /nfs/dbraw/zinc/25/69/92/331256992.db2.gz WMEDXCRIRWBNPN-OKILXGFUSA-N 1 2 281.400 1.505 20 30 CDEDLO C=CCCCCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458686033 331256993 /nfs/dbraw/zinc/25/69/93/331256993.db2.gz WMEDXCRIRWBNPN-OKILXGFUSA-N 1 2 281.400 1.505 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNC(=O)NCC(C)(C)CC#N)CCO1 ZINC000459248949 331272985 /nfs/dbraw/zinc/27/29/85/331272985.db2.gz YBTFFEAECLOIBN-CYBMUJFWSA-N 1 2 296.415 1.336 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)NCC(C)(C)CC#N)CCO1 ZINC000459248949 331272986 /nfs/dbraw/zinc/27/29/86/331272986.db2.gz YBTFFEAECLOIBN-CYBMUJFWSA-N 1 2 296.415 1.336 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCCc1cccc2cccnc21 ZINC000491316661 332189095 /nfs/dbraw/zinc/18/90/95/332189095.db2.gz WOBAZMCDALHPIR-UHFFFAOYSA-N 1 2 281.359 1.459 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCCc1cccc2cccnc21 ZINC000491316661 332189096 /nfs/dbraw/zinc/18/90/96/332189096.db2.gz WOBAZMCDALHPIR-UHFFFAOYSA-N 1 2 281.359 1.459 20 30 CDEDLO C#C[C@@H](C)N(C)c1nc(C)[nH+]c(N(C)[C@@H](C)C#C)n1 ZINC000491621810 332246971 /nfs/dbraw/zinc/24/69/71/332246971.db2.gz DMFQVSTWNBARFJ-PHIMTYICSA-N 1 2 257.341 1.096 20 30 CDEDLO C#C[C@@H](C)N(C)c1nc(N(C)[C@@H](C)C#C)nc(C)[nH+]1 ZINC000491621810 332246972 /nfs/dbraw/zinc/24/69/72/332246972.db2.gz DMFQVSTWNBARFJ-PHIMTYICSA-N 1 2 257.341 1.096 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](O)COCc1ccccc1F ZINC000491624418 332248801 /nfs/dbraw/zinc/24/88/01/332248801.db2.gz GYXKLWMCVAGERY-HUUCEWRRSA-N 1 2 293.338 1.037 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](O)COCc1ccccc1F ZINC000491624418 332248802 /nfs/dbraw/zinc/24/88/02/332248802.db2.gz GYXKLWMCVAGERY-HUUCEWRRSA-N 1 2 293.338 1.037 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)OCc2nnc(C(C)C)[nH]2)CC1 ZINC000491628485 332251732 /nfs/dbraw/zinc/25/17/32/332251732.db2.gz VORIPLRRKPQPDH-UHFFFAOYSA-N 1 2 290.367 1.317 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)OCc2nc(C(C)C)n[nH]2)CC1 ZINC000491628485 332251733 /nfs/dbraw/zinc/25/17/33/332251733.db2.gz VORIPLRRKPQPDH-UHFFFAOYSA-N 1 2 290.367 1.317 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)OCc2n[nH]c(C(C)C)n2)CC1 ZINC000491628485 332251734 /nfs/dbraw/zinc/25/17/34/332251734.db2.gz VORIPLRRKPQPDH-UHFFFAOYSA-N 1 2 290.367 1.317 20 30 CDEDLO C#C[C@@H](CC)NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000491636549 332257375 /nfs/dbraw/zinc/25/73/75/332257375.db2.gz SYQROSARWVUKBU-RYUDHWBXSA-N 1 2 260.341 1.331 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000491641748 332261011 /nfs/dbraw/zinc/26/10/11/332261011.db2.gz SRQCNOKFTGFMKC-LBPRGKRZSA-N 1 2 298.346 1.499 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(-n2cncn2)c(C)c1 ZINC000491701565 332296028 /nfs/dbraw/zinc/29/60/28/332296028.db2.gz QGTOJAFSLGGVIR-OAHLLOKOSA-N 1 2 282.347 1.410 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(-n2cncn2)c(C)c1 ZINC000491701565 332296030 /nfs/dbraw/zinc/29/60/30/332296030.db2.gz QGTOJAFSLGGVIR-OAHLLOKOSA-N 1 2 282.347 1.410 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1cccc(C(=O)OC)n1 ZINC000491710608 332302224 /nfs/dbraw/zinc/30/22/24/332302224.db2.gz YQLDKBZCTKSXDC-UHFFFAOYSA-N 1 2 289.335 1.150 20 30 CDEDLO C#CC(C)(C)[N@H+](C)CC(=O)Nc1cccc(C(=O)OC)n1 ZINC000491710608 332302226 /nfs/dbraw/zinc/30/22/26/332302226.db2.gz YQLDKBZCTKSXDC-UHFFFAOYSA-N 1 2 289.335 1.150 20 30 CDEDLO C#C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC000491733640 332314735 /nfs/dbraw/zinc/31/47/35/332314735.db2.gz RGBCZCXICVQSDG-GJZGRUSLSA-N 1 2 292.423 1.794 20 30 CDEDLO C#C[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C(C)(C)C ZINC000491733640 332314736 /nfs/dbraw/zinc/31/47/36/332314736.db2.gz RGBCZCXICVQSDG-GJZGRUSLSA-N 1 2 292.423 1.794 20 30 CDEDLO C#C[C@H](NC(=O)NCCc1cn(C)c[nH+]1)C(C)(C)C ZINC000491735102 332315796 /nfs/dbraw/zinc/31/57/96/332315796.db2.gz JPROAAVHPAZXHZ-LBPRGKRZSA-N 1 2 262.357 1.310 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C[C@@](C)(c2ccccc2)C1=O ZINC000491749696 332326515 /nfs/dbraw/zinc/32/65/15/332326515.db2.gz ZRLCQVWSTTXAKA-DYVFJYSZSA-N 1 2 284.359 1.614 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C[C@@](C)(c2ccccc2)C1=O ZINC000491749696 332326516 /nfs/dbraw/zinc/32/65/16/332326516.db2.gz ZRLCQVWSTTXAKA-DYVFJYSZSA-N 1 2 284.359 1.614 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000491779270 332344352 /nfs/dbraw/zinc/34/43/52/332344352.db2.gz ZMJSVBLFLFFSMU-JSGCOSHPSA-N 1 2 271.364 1.902 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000491779270 332344353 /nfs/dbraw/zinc/34/43/53/332344353.db2.gz ZMJSVBLFLFFSMU-JSGCOSHPSA-N 1 2 271.364 1.902 20 30 CDEDLO CCn1cc[nH+]c1/C=C\C(=O)N1CCSC[C@@H]1C#N ZINC000492369276 332394403 /nfs/dbraw/zinc/39/44/03/332394403.db2.gz VFYRYPACFYXJHO-BYCRGOAPSA-N 1 2 276.365 1.384 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\COc1ccccc1 ZINC000493493488 332442518 /nfs/dbraw/zinc/44/25/18/332442518.db2.gz MRLAPCCIRAWLBN-BJIFSAINSA-N 1 2 287.363 1.582 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](CC)C[C@H](O)C(F)(F)F ZINC000189536567 333194498 /nfs/dbraw/zinc/19/44/98/333194498.db2.gz RNJOWEQDBONNEH-NSHDSACASA-N 1 2 296.333 1.656 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CC)C[C@H](O)C(F)(F)F ZINC000189536567 333194500 /nfs/dbraw/zinc/19/45/00/333194500.db2.gz RNJOWEQDBONNEH-NSHDSACASA-N 1 2 296.333 1.656 20 30 CDEDLO C[C@@H]1CCCC[C@H]1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000572529665 333384084 /nfs/dbraw/zinc/38/40/84/333384084.db2.gz PZEMKBMNFPOGRE-YRGRVCCFSA-N 1 2 251.374 1.773 20 30 CDEDLO COCc1noc(C[NH+]2CCC(CC#N)CC2)n1 ZINC000543806676 333900656 /nfs/dbraw/zinc/90/06/56/333900656.db2.gz GQCIHCBYTPKIGS-UHFFFAOYSA-N 1 2 250.302 1.342 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1cnc(C)s1 ZINC000077185440 334097723 /nfs/dbraw/zinc/09/77/23/334097723.db2.gz XNENMMATPRSTPK-NSHDSACASA-N 1 2 294.424 1.892 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1cnc(C)s1 ZINC000077185440 334097724 /nfs/dbraw/zinc/09/77/24/334097724.db2.gz XNENMMATPRSTPK-NSHDSACASA-N 1 2 294.424 1.892 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCCc1c[nH+]cn1C)OCC ZINC000548133088 334141549 /nfs/dbraw/zinc/14/15/49/334141549.db2.gz MDXJXHIIGVBDCV-ZDUSSCGKSA-N 1 2 265.357 1.450 20 30 CDEDLO CC#CC[NH2+][C@H](C(=O)OC)[C@H]1CCC[C@H](OC)C1 ZINC000566309229 334642094 /nfs/dbraw/zinc/64/20/94/334642094.db2.gz YGHPYWIVCAMTTG-AVGNSLFASA-N 1 2 253.342 1.346 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@]12C[C@@H]1CCC2 ZINC000572950999 334894004 /nfs/dbraw/zinc/89/40/04/334894004.db2.gz OZQHDTCBLJXYSW-HOCLYGCPSA-N 1 2 291.395 1.251 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC[C@H](C#N)CCC#N)C(C)(C)CO ZINC000580773935 335186010 /nfs/dbraw/zinc/18/60/10/335186010.db2.gz JRPWQXKHBPEMQX-QWHCGFSZSA-N 1 2 289.383 1.513 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(=O)n2cc(C)ccc2n1 ZINC000577188858 335319375 /nfs/dbraw/zinc/31/93/75/335319375.db2.gz LTQKXPRBRHEJJS-LBPRGKRZSA-N 1 2 270.336 1.785 20 30 CDEDLO COC(=O)[C@H]([NH2+]CCOCCC#N)[C@@H]1CCC[C@H](OC)C1 ZINC000581194836 336022745 /nfs/dbraw/zinc/02/27/45/336022745.db2.gz IGMDJEUYSMOWJI-HZSPNIEDSA-N 1 2 298.383 1.253 20 30 CDEDLO CCN(CC#N)C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000581318592 336048225 /nfs/dbraw/zinc/04/82/25/336048225.db2.gz ATAVWLGEDMAASQ-SECBINFHSA-N 1 2 288.273 1.828 20 30 CDEDLO C[C@H](CC(=O)Nc1cc(CC#N)ccn1)n1cc[nH+]c1 ZINC000581492096 336089017 /nfs/dbraw/zinc/08/90/17/336089017.db2.gz UAQQVNRSYKNWEP-LLVKDONJSA-N 1 2 269.308 1.934 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)/C=C(\C)C2CC2)C1 ZINC001753645626 1159867363 /nfs/dbraw/zinc/86/73/63/1159867363.db2.gz CDLYCIYFSYPMAZ-TZIYXEQSSA-N 1 2 264.369 1.346 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)/C=C(\C)C2CC2)C1 ZINC001753645626 1159867377 /nfs/dbraw/zinc/86/73/77/1159867377.db2.gz CDLYCIYFSYPMAZ-TZIYXEQSSA-N 1 2 264.369 1.346 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cnccn1 ZINC001271958754 1160385923 /nfs/dbraw/zinc/38/59/23/1160385923.db2.gz SROHIIHHSRJKRX-UHFFFAOYSA-N 1 2 268.748 1.233 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cnccn1 ZINC001271958754 1160385930 /nfs/dbraw/zinc/38/59/30/1160385930.db2.gz SROHIIHHSRJKRX-UHFFFAOYSA-N 1 2 268.748 1.233 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000682041680 482670678 /nfs/dbraw/zinc/67/06/78/482670678.db2.gz MKYPOBPQESRBTB-PWSUYJOCSA-N 1 2 294.317 1.720 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000682041680 482670684 /nfs/dbraw/zinc/67/06/84/482670684.db2.gz MKYPOBPQESRBTB-PWSUYJOCSA-N 1 2 294.317 1.720 20 30 CDEDLO C=CCN1CC[C@@H](N(C)Cc2cn3cccc(C)c3[nH+]2)C1=O ZINC000685004277 483066857 /nfs/dbraw/zinc/06/68/57/483066857.db2.gz QEOPSXMIZPAOBD-OAHLLOKOSA-N 1 2 298.390 1.861 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cn3cccc(C)c3n2)C1=O ZINC000685004277 483066864 /nfs/dbraw/zinc/06/68/64/483066864.db2.gz QEOPSXMIZPAOBD-OAHLLOKOSA-N 1 2 298.390 1.861 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cn3cccc(C)c3n2)C1=O ZINC000685004277 483066867 /nfs/dbraw/zinc/06/68/67/483066867.db2.gz QEOPSXMIZPAOBD-OAHLLOKOSA-N 1 2 298.390 1.861 20 30 CDEDLO Cc1nc(N[C@H](C)C[C@H](C)NC(=O)C#CC2CC2)cc[nH+]1 ZINC001089314314 1161134704 /nfs/dbraw/zinc/13/47/04/1161134704.db2.gz ULOKLPDMWSVTKD-NEPJUHHUSA-N 1 2 286.379 1.894 20 30 CDEDLO CC[C@@H](F)C[N@@H+]1C[C@H]2OCCN(C(=O)C#CC3CC3)[C@H]2C1 ZINC001083077057 1161584264 /nfs/dbraw/zinc/58/42/64/1161584264.db2.gz QNFFZJKBVVBHNY-QLFBSQMISA-N 1 2 294.370 1.060 20 30 CDEDLO CC[C@@H](F)C[N@H+]1C[C@H]2OCCN(C(=O)C#CC3CC3)[C@H]2C1 ZINC001083077057 1161584269 /nfs/dbraw/zinc/58/42/69/1161584269.db2.gz QNFFZJKBVVBHNY-QLFBSQMISA-N 1 2 294.370 1.060 20 30 CDEDLO CC#CC[NH2+]CCN(CC)C(=O)C(F)C(F)(F)F ZINC001754046381 1185441313 /nfs/dbraw/zinc/44/13/13/1185441313.db2.gz ZQLZWUBNSCUHGV-VIFPVBQESA-N 1 2 268.254 1.348 20 30 CDEDLO CC#CC[NH2+]CCN(CC)C(=O)[C@H](F)C(F)(F)F ZINC001754046381 1185441317 /nfs/dbraw/zinc/44/13/17/1185441317.db2.gz ZQLZWUBNSCUHGV-VIFPVBQESA-N 1 2 268.254 1.348 20 30 CDEDLO C[C@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)c1ncon1 ZINC000330002180 534281213 /nfs/dbraw/zinc/28/12/13/534281213.db2.gz AUOBADDMQWNQFU-CMPLNLGQSA-N 1 2 294.355 1.731 20 30 CDEDLO C[C@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)c1ncon1 ZINC000330002180 534281215 /nfs/dbraw/zinc/28/12/15/534281215.db2.gz AUOBADDMQWNQFU-CMPLNLGQSA-N 1 2 294.355 1.731 20 30 CDEDLO C#CC[NH+]1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000055121304 518271045 /nfs/dbraw/zinc/27/10/45/518271045.db2.gz GVUQTNRMSLYFFG-UHFFFAOYSA-N 1 2 296.374 1.796 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000337903819 525534286 /nfs/dbraw/zinc/53/42/86/525534286.db2.gz SPWVNSUAHWURRX-UHFFFAOYSA-N 1 2 268.320 1.872 20 30 CDEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccnc(N)c3)CCO2)c1 ZINC000365841047 526732183 /nfs/dbraw/zinc/73/21/83/526732183.db2.gz XTFOGBMVUDPCHW-INIZCTEOSA-N 1 2 294.358 1.939 20 30 CDEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccnc(N)c3)CCO2)c1 ZINC000365841047 526732187 /nfs/dbraw/zinc/73/21/87/526732187.db2.gz XTFOGBMVUDPCHW-INIZCTEOSA-N 1 2 294.358 1.939 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000330270700 526835018 /nfs/dbraw/zinc/83/50/18/526835018.db2.gz UQVGTAGKGSKYLV-MGPQQGTHSA-N 1 2 282.384 1.645 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000352239080 527278420 /nfs/dbraw/zinc/27/84/20/527278420.db2.gz SCSZMKGBFHJUJR-ZDUSSCGKSA-N 1 2 281.400 1.012 20 30 CDEDLO C=C[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000354839164 527566268 /nfs/dbraw/zinc/56/62/68/527566268.db2.gz GHEBKCDUMZZRNZ-AAEUAGOBSA-N 1 2 252.358 1.321 20 30 CDEDLO C=C[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000354839164 527566273 /nfs/dbraw/zinc/56/62/73/527566273.db2.gz GHEBKCDUMZZRNZ-AAEUAGOBSA-N 1 2 252.358 1.321 20 30 CDEDLO CC[N@@H+]1CCN(S(=O)(=O)CCCCC#N)[C@@H](C)C1 ZINC000352603591 529150161 /nfs/dbraw/zinc/15/01/61/529150161.db2.gz LRVHHSOKKYCWJF-LBPRGKRZSA-N 1 2 273.402 1.036 20 30 CDEDLO CC[N@H+]1CCN(S(=O)(=O)CCCCC#N)[C@@H](C)C1 ZINC000352603591 529150162 /nfs/dbraw/zinc/15/01/62/529150162.db2.gz LRVHHSOKKYCWJF-LBPRGKRZSA-N 1 2 273.402 1.036 20 30 CDEDLO O=C(C[N@@H+]1CCCOCC1)Nc1nc2c(s1)CCC2 ZINC000329284758 538555656 /nfs/dbraw/zinc/55/56/56/538555656.db2.gz OQIUCFTUTSDFSH-UHFFFAOYSA-N 1 2 281.381 1.942 20 30 CDEDLO O=C(C[N@H+]1CCCOCC1)Nc1nc2c(s1)CCC2 ZINC000329284758 538555660 /nfs/dbraw/zinc/55/56/60/538555660.db2.gz OQIUCFTUTSDFSH-UHFFFAOYSA-N 1 2 281.381 1.942 20 30 CDEDLO CCOc1ccc(/C=N/CC[N@@H+]2CCOC[C@@H]2C)c(O)c1 ZINC000729150856 574723367 /nfs/dbraw/zinc/72/33/67/574723367.db2.gz ZHWQFSCPASERMH-HNEYUBDGSA-N 1 2 292.379 1.931 20 30 CDEDLO CCOc1ccc(/C=N/CC[N@H+]2CCOC[C@@H]2C)c(O)c1 ZINC000729150856 574723370 /nfs/dbraw/zinc/72/33/70/574723370.db2.gz ZHWQFSCPASERMH-HNEYUBDGSA-N 1 2 292.379 1.931 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(NC(C)=O)c1 ZINC000730270874 574907002 /nfs/dbraw/zinc/90/70/02/574907002.db2.gz IIQGHKSNWRWUFM-HNNXBMFYSA-N 1 2 285.347 1.681 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(NC(C)=O)c1 ZINC000730270874 574907004 /nfs/dbraw/zinc/90/70/04/574907004.db2.gz IIQGHKSNWRWUFM-HNNXBMFYSA-N 1 2 285.347 1.681 20 30 CDEDLO Cc1ccc(CCC=NNS(=O)(=O)C(C)C)c[nH+]1 ZINC000774377926 575201869 /nfs/dbraw/zinc/20/18/69/575201869.db2.gz GOMJKPSMJWDGAQ-UHFFFAOYSA-N 1 2 269.370 1.636 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]Nc1c(C)cccc1F ZINC000769841031 575390942 /nfs/dbraw/zinc/39/09/42/575390942.db2.gz RZNHRWNLQNRABH-UHFFFAOYSA-N 1 2 275.287 1.961 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000769961607 575403637 /nfs/dbraw/zinc/40/36/37/575403637.db2.gz LPEOWQQIBQGSCY-GFCCVEGCSA-N 1 2 299.374 1.471 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000769961607 575403639 /nfs/dbraw/zinc/40/36/39/575403639.db2.gz LPEOWQQIBQGSCY-GFCCVEGCSA-N 1 2 299.374 1.471 20 30 CDEDLO C#CCNC(=O)C[N@@H+](C)Cc1nc2ccccc2o1 ZINC000770178100 575429104 /nfs/dbraw/zinc/42/91/04/575429104.db2.gz XEIJIXAFWAHTFC-UHFFFAOYSA-N 1 2 257.293 1.009 20 30 CDEDLO C#CCNC(=O)C[N@H+](C)Cc1nc2ccccc2o1 ZINC000770178100 575429107 /nfs/dbraw/zinc/42/91/07/575429107.db2.gz XEIJIXAFWAHTFC-UHFFFAOYSA-N 1 2 257.293 1.009 20 30 CDEDLO C=C(Br)C[N@@H+](C)CCNC(=O)N(C)C ZINC000770264168 575435858 /nfs/dbraw/zinc/43/58/58/575435858.db2.gz HXOLPAWCKMLKBD-UHFFFAOYSA-N 1 2 264.167 1.098 20 30 CDEDLO C=C(Br)C[N@H+](C)CCNC(=O)N(C)C ZINC000770264168 575435860 /nfs/dbraw/zinc/43/58/60/575435860.db2.gz HXOLPAWCKMLKBD-UHFFFAOYSA-N 1 2 264.167 1.098 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)nc1 ZINC000771499667 575585959 /nfs/dbraw/zinc/58/59/59/575585959.db2.gz NAXHYLVSGDZDNK-LBPRGKRZSA-N 1 2 267.292 1.654 20 30 CDEDLO C=C(Cl)CNC(=O)NCCCCn1cc[nH+]c1 ZINC000736398956 575648269 /nfs/dbraw/zinc/64/82/69/575648269.db2.gz JUEAQHSSFWIBEO-UHFFFAOYSA-N 1 2 256.737 1.715 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCc2c1cccc2F ZINC000764443717 575907875 /nfs/dbraw/zinc/90/78/75/575907875.db2.gz DFXYLMPRDSYIDW-HNNXBMFYSA-N 1 2 272.323 1.812 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCc2c1cccc2F ZINC000764443717 575907879 /nfs/dbraw/zinc/90/78/79/575907879.db2.gz DFXYLMPRDSYIDW-HNNXBMFYSA-N 1 2 272.323 1.812 20 30 CDEDLO Nc1[nH+]cccc1C=NN1C(=O)c2ccccc2C1=O ZINC000764650418 575930541 /nfs/dbraw/zinc/93/05/41/575930541.db2.gz WSODFTMFCNGMPL-UHFFFAOYSA-N 1 2 266.260 1.294 20 30 CDEDLO CCC(CC)[C@@H](C(=O)NC1=NO[C@@H](C)C1)[NH+]1CCOCC1 ZINC000765375243 576012742 /nfs/dbraw/zinc/01/27/42/576012742.db2.gz GMMFHZFXURBZBT-FZMZJTMJSA-N 1 2 297.399 1.362 20 30 CDEDLO CO[NH+]=Cc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O ZINC000767491173 576197512 /nfs/dbraw/zinc/19/75/12/576197512.db2.gz RDKRLQUKTOFVLR-UHFFFAOYSA-N 1 2 280.287 1.941 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC(=O)c1ccccc1 ZINC000769264202 576340943 /nfs/dbraw/zinc/34/09/43/576340943.db2.gz XGMONQJOFVDATI-ZBFHGGJFSA-N 1 2 298.386 1.862 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC(=O)c1ccccc1 ZINC000769264202 576340945 /nfs/dbraw/zinc/34/09/45/576340945.db2.gz XGMONQJOFVDATI-ZBFHGGJFSA-N 1 2 298.386 1.862 20 30 CDEDLO C=CCCC(=O)COC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000761400827 576574249 /nfs/dbraw/zinc/57/42/49/576574249.db2.gz BJZZTXVRBCIFPQ-ZDUSSCGKSA-N 1 2 253.342 1.939 20 30 CDEDLO C=CCCC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000761400827 576574251 /nfs/dbraw/zinc/57/42/51/576574251.db2.gz BJZZTXVRBCIFPQ-ZDUSSCGKSA-N 1 2 253.342 1.939 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnc2n[nH]c(C)c2c1 ZINC000761437620 576576477 /nfs/dbraw/zinc/57/64/77/576576477.db2.gz LXTFQNWHYVNEOL-ZDUSSCGKSA-N 1 2 283.335 1.302 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnc2n[nH]c(C)c2c1 ZINC000761437620 576576481 /nfs/dbraw/zinc/57/64/81/576576481.db2.gz LXTFQNWHYVNEOL-ZDUSSCGKSA-N 1 2 283.335 1.302 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)[C@@H](C)C(CC)CC)CC1 ZINC000761744174 576591661 /nfs/dbraw/zinc/59/16/61/576591661.db2.gz WTPARACZAXVTTM-ZDUSSCGKSA-N 1 2 250.386 1.836 20 30 CDEDLO Oc1ccc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)cc1F ZINC000761838441 576596798 /nfs/dbraw/zinc/59/67/98/576596798.db2.gz LSICRUNEKVLGCZ-UHFFFAOYSA-N 1 2 298.281 1.953 20 30 CDEDLO C[C@@H]1CC(N=Nc2ccc(-n3cc[nH+]c3)nn2)CCO1 ZINC000761857750 576598614 /nfs/dbraw/zinc/59/86/14/576598614.db2.gz NEDRLBBFUWXIJO-SNVBAGLBSA-N 1 2 272.312 1.629 20 30 CDEDLO CCn1ccnc1CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761857634 576598795 /nfs/dbraw/zinc/59/87/95/576598795.db2.gz KWKDBVAUKYHYIQ-UHFFFAOYSA-N 1 2 282.311 1.325 20 30 CDEDLO C#CCOCCc1nc(-c2ccnc(-n3cc[nH+]c3)c2)no1 ZINC000762052852 576616719 /nfs/dbraw/zinc/61/67/19/576616719.db2.gz FWEVGLUAHPUVOL-UHFFFAOYSA-N 1 2 295.302 1.510 20 30 CDEDLO C#CC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000753910947 576865921 /nfs/dbraw/zinc/86/59/21/576865921.db2.gz ROVDYDCMOXLWBW-AWEZNQCLSA-N 1 2 269.304 1.268 20 30 CDEDLO C=CCON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000754778672 576914906 /nfs/dbraw/zinc/91/49/06/576914906.db2.gz HWTQTRRQPJFFRU-UHFFFAOYSA-N 1 2 275.352 1.342 20 30 CDEDLO N#CCCNC(=O)C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000748832552 576928421 /nfs/dbraw/zinc/92/84/21/576928421.db2.gz JIALPRMHFSVLJB-ZDUSSCGKSA-N 1 2 261.300 1.602 20 30 CDEDLO N#CCCNC(=O)C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000748832552 576928422 /nfs/dbraw/zinc/92/84/22/576928422.db2.gz JIALPRMHFSVLJB-ZDUSSCGKSA-N 1 2 261.300 1.602 20 30 CDEDLO Cc1[nH+]cc(C=NN2CCOCC2)n1-c1ccccc1 ZINC000755490168 576946767 /nfs/dbraw/zinc/94/67/67/576946767.db2.gz DFZSKZPONXQSKD-UHFFFAOYSA-N 1 2 270.336 1.847 20 30 CDEDLO CCCCC1N=NC(=S)N1N=Cc1[nH+]c[nH]c1C ZINC000755511388 576947607 /nfs/dbraw/zinc/94/76/07/576947607.db2.gz RYJABNZVTOGQNN-UHFFFAOYSA-N 1 2 264.358 1.823 20 30 CDEDLO Cc1cc(=O)[nH]c(N=NC2C[N@H+](C3CC3)C[C@@H]2C)n1 ZINC000755876104 576965578 /nfs/dbraw/zinc/96/55/78/576965578.db2.gz ZAVSJPGWRIIFAN-QMMMGPOBSA-N 1 2 261.329 1.373 20 30 CDEDLO Cc1cc(=O)[nH]c(N=NC2C[N@@H+](C3CC3)C[C@@H]2C)n1 ZINC000755876104 576965579 /nfs/dbraw/zinc/96/55/79/576965579.db2.gz ZAVSJPGWRIIFAN-QMMMGPOBSA-N 1 2 261.329 1.373 20 30 CDEDLO Cc1cc(=O)nc(NN=C2C[N@H+](C3CC3)C[C@@H]2C)[nH]1 ZINC000755876104 576965581 /nfs/dbraw/zinc/96/55/81/576965581.db2.gz ZAVSJPGWRIIFAN-QMMMGPOBSA-N 1 2 261.329 1.373 20 30 CDEDLO Cc1cc(=O)nc(NN=C2C[N@@H+](C3CC3)C[C@@H]2C)[nH]1 ZINC000755876104 576965583 /nfs/dbraw/zinc/96/55/83/576965583.db2.gz ZAVSJPGWRIIFAN-QMMMGPOBSA-N 1 2 261.329 1.373 20 30 CDEDLO COc1cc(C)[nH+]c(COC(=O)C2(C#N)CCOCC2)c1 ZINC000757721332 577052573 /nfs/dbraw/zinc/05/25/73/577052573.db2.gz JFQROZUIPHNMOI-UHFFFAOYSA-N 1 2 290.319 1.762 20 30 CDEDLO COC(=O)c1ccc(N=NCc2c[nH+]cn2C)nc1 ZINC000758119259 577072641 /nfs/dbraw/zinc/07/26/41/577072641.db2.gz WFNCXJQVNQLZJF-UHFFFAOYSA-N 1 2 259.269 1.048 20 30 CDEDLO Cc1ncsc1C[N@H+](C)Cn1cccc(C#N)c1=O ZINC000758222131 577084995 /nfs/dbraw/zinc/08/49/95/577084995.db2.gz HOPOAEGWYFMOHQ-UHFFFAOYSA-N 1 2 274.349 1.574 20 30 CDEDLO Cc1ncsc1C[N@@H+](C)Cn1cccc(C#N)c1=O ZINC000758222131 577084997 /nfs/dbraw/zinc/08/49/97/577084997.db2.gz HOPOAEGWYFMOHQ-UHFFFAOYSA-N 1 2 274.349 1.574 20 30 CDEDLO CC1(C)C[N@H+](Cn2cccc(C#N)c2=O)CCCO1 ZINC000758225663 577085371 /nfs/dbraw/zinc/08/53/71/577085371.db2.gz ZLDNNKTUDXUNFR-UHFFFAOYSA-N 1 2 261.325 1.178 20 30 CDEDLO CC1(C)C[N@@H+](Cn2cccc(C#N)c2=O)CCCO1 ZINC000758225663 577085372 /nfs/dbraw/zinc/08/53/72/577085372.db2.gz ZLDNNKTUDXUNFR-UHFFFAOYSA-N 1 2 261.325 1.178 20 30 CDEDLO Cn1cc(Cl)cc1C[N@H+](C)Cn1cccc(C#N)c1=O ZINC000758234087 577086793 /nfs/dbraw/zinc/08/67/93/577086793.db2.gz BSGGIHJRNSYSFV-UHFFFAOYSA-N 1 2 290.754 1.801 20 30 CDEDLO Cn1cc(Cl)cc1C[N@@H+](C)Cn1cccc(C#N)c1=O ZINC000758234087 577086795 /nfs/dbraw/zinc/08/67/95/577086795.db2.gz BSGGIHJRNSYSFV-UHFFFAOYSA-N 1 2 290.754 1.801 20 30 CDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1c[nH+]cn1C ZINC000753147818 577149013 /nfs/dbraw/zinc/14/90/13/577149013.db2.gz RUMCECNLQGBNMT-NSHDSACASA-N 1 2 285.303 1.802 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000819845271 606965286 /nfs/dbraw/zinc/96/52/86/606965286.db2.gz SUDFBKAYMWVEAJ-SECBINFHSA-N 1 2 274.303 1.597 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000819845271 606965288 /nfs/dbraw/zinc/96/52/88/606965288.db2.gz SUDFBKAYMWVEAJ-SECBINFHSA-N 1 2 274.303 1.597 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2scnc2CC)CC1 ZINC000981291230 613160306 /nfs/dbraw/zinc/16/03/06/613160306.db2.gz QEKNROGHNBVNKF-UHFFFAOYSA-N 1 2 277.393 1.487 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2scnc2CC)CC1 ZINC000981291230 613160307 /nfs/dbraw/zinc/16/03/07/613160307.db2.gz QEKNROGHNBVNKF-UHFFFAOYSA-N 1 2 277.393 1.487 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+](CCF)C2)nc1 ZINC000970762985 613188562 /nfs/dbraw/zinc/18/85/62/613188562.db2.gz IIVJYDRHOVILTK-LLVKDONJSA-N 1 2 275.327 1.083 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(C)CC(=C)C3)C2)C1 ZINC000972542524 613211231 /nfs/dbraw/zinc/21/12/31/613211231.db2.gz KVQHAHISQQZFIR-KRWDZBQOSA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(C)CC(=C)C3)C2)C1 ZINC000972542524 613211233 /nfs/dbraw/zinc/21/12/33/613211233.db2.gz KVQHAHISQQZFIR-KRWDZBQOSA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CCCCC3)C2)C1 ZINC000972231429 613212351 /nfs/dbraw/zinc/21/23/51/613212351.db2.gz SFPKGPNEZCFGKE-QGZVFWFLSA-N 1 2 290.407 1.503 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CCCCC3)C2)C1 ZINC000972231429 613212352 /nfs/dbraw/zinc/21/23/52/613212352.db2.gz SFPKGPNEZCFGKE-QGZVFWFLSA-N 1 2 290.407 1.503 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCOC2)C1 ZINC000949754177 613295636 /nfs/dbraw/zinc/29/56/36/613295636.db2.gz FBELVLXTGGGADI-LBPRGKRZSA-N 1 2 252.358 1.132 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccncc2)C1 ZINC000949567396 613296821 /nfs/dbraw/zinc/29/68/21/613296821.db2.gz FHAABDLGXZPJGQ-UHFFFAOYSA-N 1 2 259.353 1.804 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(CC)nnc2C)CC1 ZINC000949472551 613319939 /nfs/dbraw/zinc/31/99/39/613319939.db2.gz FISBZPNDIJRZLA-UHFFFAOYSA-N 1 2 288.395 1.681 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccnc3ccnn32)CC1 ZINC000948715705 613321551 /nfs/dbraw/zinc/32/15/51/613321551.db2.gz KXIXGIWOSCCDGK-UHFFFAOYSA-N 1 2 285.351 1.063 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnoc2C2CC2)CC1 ZINC000957039534 613321713 /nfs/dbraw/zinc/32/17/13/613321713.db2.gz ZLXSFIFXSPZIOO-UHFFFAOYSA-N 1 2 275.352 1.886 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2n[nH]cc2C)C1 ZINC000969646007 613372067 /nfs/dbraw/zinc/37/20/67/613372067.db2.gz SYCZNSWFJUXOBH-SNVBAGLBSA-N 1 2 282.775 1.521 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2n[nH]cc2C)C1 ZINC000965985476 613375638 /nfs/dbraw/zinc/37/56/38/613375638.db2.gz PKAZPLGWYNGICL-SKDRFNHKSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2n[nH]cc2C)C1 ZINC000965985476 613375639 /nfs/dbraw/zinc/37/56/39/613375639.db2.gz PKAZPLGWYNGICL-SKDRFNHKSA-N 1 2 296.802 1.911 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2cc(C(C)C)no2)CC1 ZINC000982081511 613553997 /nfs/dbraw/zinc/55/39/97/613553997.db2.gz SWQMILCKMSFBFT-UHFFFAOYSA-N 1 2 289.379 1.969 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2cc(C(C)C)no2)CC1 ZINC000982081511 613553999 /nfs/dbraw/zinc/55/39/99/613553999.db2.gz SWQMILCKMSFBFT-UHFFFAOYSA-N 1 2 289.379 1.969 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2(CC)CCOCC2)CC1 ZINC000952442158 613706760 /nfs/dbraw/zinc/70/67/60/613706760.db2.gz BFUJJKVYDWTLTR-UHFFFAOYSA-N 1 2 266.385 1.523 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2COc3ccccc32)CC1 ZINC000957903314 613713495 /nfs/dbraw/zinc/71/34/95/613713495.db2.gz XQZIBONIOPIVQC-AWEZNQCLSA-N 1 2 272.348 1.493 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(OC)nc(OC)c2)CC1 ZINC000949106780 613714915 /nfs/dbraw/zinc/71/49/15/613714915.db2.gz IAUNVJBTXRPRRQ-UHFFFAOYSA-N 1 2 291.351 1.043 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000950891225 613716430 /nfs/dbraw/zinc/71/64/30/613716430.db2.gz FIPSFZHTKLZWNA-UHFFFAOYSA-N 1 2 286.335 1.212 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cn(C(C)C)nc2C)CC1 ZINC000957299862 613717380 /nfs/dbraw/zinc/71/73/80/613717380.db2.gz YHNJFWFKXUPDCA-UHFFFAOYSA-N 1 2 276.384 1.716 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccncc2OC(C)C)CC1 ZINC000949464685 613717382 /nfs/dbraw/zinc/71/73/82/613717382.db2.gz CTEFMIPOPATDLQ-UHFFFAOYSA-N 1 2 289.379 1.813 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)SC)C2)C1 ZINC000972341007 613723483 /nfs/dbraw/zinc/72/34/83/613723483.db2.gz AETCOJVMICTAFN-HIFRSBDPSA-N 1 2 298.452 1.617 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)SC)C2)C1 ZINC000972341007 613723487 /nfs/dbraw/zinc/72/34/87/613723487.db2.gz AETCOJVMICTAFN-HIFRSBDPSA-N 1 2 298.452 1.617 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)C3CC3)C2)C1 ZINC000972695817 613725556 /nfs/dbraw/zinc/72/55/56/613725556.db2.gz UULLVMQUYFWQRU-RHSMWYFYSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)C3CC3)C2)C1 ZINC000972695817 613725558 /nfs/dbraw/zinc/72/55/58/613725558.db2.gz UULLVMQUYFWQRU-RHSMWYFYSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]cc3C)C2)C1 ZINC000972676950 613726163 /nfs/dbraw/zinc/72/61/63/613726163.db2.gz MVFAKYLXSKGUFJ-MRXNPFEDSA-N 1 2 289.379 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]cc3C)C2)C1 ZINC000972676950 613726166 /nfs/dbraw/zinc/72/61/66/613726166.db2.gz MVFAKYLXSKGUFJ-MRXNPFEDSA-N 1 2 289.379 1.426 20 30 CDEDLO C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC000967158170 613737100 /nfs/dbraw/zinc/73/71/00/613737100.db2.gz UFWLYKRLCHQQRE-BXUZGUMPSA-N 1 2 288.395 1.525 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC000967158170 613737102 /nfs/dbraw/zinc/73/71/02/613737102.db2.gz UFWLYKRLCHQQRE-BXUZGUMPSA-N 1 2 288.395 1.525 20 30 CDEDLO C#Cc1ccc(NC(=O)/C=C(\C)C[NH+]2CCOCC2)cc1 ZINC000891313701 617418038 /nfs/dbraw/zinc/41/80/38/617418038.db2.gz VKTMHBHYAFCHPS-WYMLVPIESA-N 1 2 284.359 1.885 20 30 CDEDLO Cc1nn(C)c(NC(=O)C[C@@H](C)n2cc[nH+]c2)c1C#N ZINC000892619118 617538227 /nfs/dbraw/zinc/53/82/27/617538227.db2.gz FSXJSPUOGLUEED-SECBINFHSA-N 1 2 272.312 1.387 20 30 CDEDLO C[C@H](O)CN(C)[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000841656469 617670591 /nfs/dbraw/zinc/67/05/91/617670591.db2.gz UHWAKKGSQYWWPL-LBPRGKRZSA-N 1 2 265.357 1.916 20 30 CDEDLO COCC[NH+]1CCN(C(=O)Nc2sccc2C#N)CC1 ZINC000931847695 617750294 /nfs/dbraw/zinc/75/02/94/617750294.db2.gz NVLUHGIBVLTEPH-UHFFFAOYSA-N 1 2 294.380 1.416 20 30 CDEDLO C=C(C)COCCNc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000892927139 617911901 /nfs/dbraw/zinc/91/19/01/617911901.db2.gz AEXXVFRZMSOFQG-GFCCVEGCSA-N 1 2 280.372 1.664 20 30 CDEDLO C=C(C)COCCNc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000892927139 617911904 /nfs/dbraw/zinc/91/19/04/617911904.db2.gz AEXXVFRZMSOFQG-GFCCVEGCSA-N 1 2 280.372 1.664 20 30 CDEDLO C#C[C@H]1CCCCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000894310652 618588419 /nfs/dbraw/zinc/58/84/19/618588419.db2.gz VHZIQPYAZMALQY-OLZOCXBDSA-N 1 2 272.352 1.395 20 30 CDEDLO N#CC1(C[NH2+]C2CN(C(=O)OCc3ccccc3)C2)CC1 ZINC000894203298 618696133 /nfs/dbraw/zinc/69/61/33/618696133.db2.gz FXCGGGDAZLLVAU-UHFFFAOYSA-N 1 2 285.347 1.901 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnn(C)c2C2CC2)C1=O ZINC000894230327 618739299 /nfs/dbraw/zinc/73/92/99/618739299.db2.gz DHBKNFVGXMZWMN-CQSZACIVSA-N 1 2 288.395 1.516 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnn(C)c2C2CC2)C1=O ZINC000894230327 618739302 /nfs/dbraw/zinc/73/93/02/618739302.db2.gz DHBKNFVGXMZWMN-CQSZACIVSA-N 1 2 288.395 1.516 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](CCC(=O)OC)C1 ZINC000880043960 618875300 /nfs/dbraw/zinc/87/53/00/618875300.db2.gz UPVJRKMJMUIHPO-VXGBXAGGSA-N 1 2 269.341 1.379 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](CCC(=O)OC)C1 ZINC000880043960 618875305 /nfs/dbraw/zinc/87/53/05/618875305.db2.gz UPVJRKMJMUIHPO-VXGBXAGGSA-N 1 2 269.341 1.379 20 30 CDEDLO Cc1cc(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@H]2C)ccc1C#N ZINC000895118938 619313795 /nfs/dbraw/zinc/31/37/95/619313795.db2.gz RUUUSNBMQWRJMV-JHJVBQTASA-N 1 2 271.364 1.964 20 30 CDEDLO Cc1cc(C[N@@H+]2[C@H](C)C(=O)N[C@H](C)[C@H]2C)ccc1C#N ZINC000895118938 619313797 /nfs/dbraw/zinc/31/37/97/619313797.db2.gz RUUUSNBMQWRJMV-JHJVBQTASA-N 1 2 271.364 1.964 20 30 CDEDLO CCc1onc(C)c1C[NH2+][C@H]1CCCN(O)C1=O ZINC000895193897 619443750 /nfs/dbraw/zinc/44/37/50/619443750.db2.gz WBTAILZXDNLMTG-JTQLQIEISA-N 1 2 253.302 1.015 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000897449493 620835161 /nfs/dbraw/zinc/83/51/61/620835161.db2.gz YHIWKIPRCKHTPB-CQSZACIVSA-N 1 2 265.316 1.609 20 30 CDEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)c2noc(C)n2)cc1 ZINC000842020882 620863352 /nfs/dbraw/zinc/86/33/52/620863352.db2.gz HKHAZEUFYNIYTA-QMMMGPOBSA-N 1 2 276.296 1.785 20 30 CDEDLO C[C@@]1(C#N)CCCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000907333355 627600275 /nfs/dbraw/zinc/60/02/75/627600275.db2.gz AQHPKUUCCIYTCN-AWEZNQCLSA-N 1 2 258.325 1.646 20 30 CDEDLO C=C[C@H](C)ONC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000911902515 629635242 /nfs/dbraw/zinc/63/52/42/629635242.db2.gz ASEAMMLDBFECDW-ZDUSSCGKSA-N 1 2 293.367 1.056 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000912395418 629981616 /nfs/dbraw/zinc/98/16/16/629981616.db2.gz VIJMULYGEMKGNN-KBUPBQIOSA-N 1 2 296.411 1.193 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000912395418 629981618 /nfs/dbraw/zinc/98/16/18/629981618.db2.gz VIJMULYGEMKGNN-KBUPBQIOSA-N 1 2 296.411 1.193 20 30 CDEDLO N#C[C@H]1CCCN(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000914308581 631341224 /nfs/dbraw/zinc/34/12/24/631341224.db2.gz VPKFVQAQFXJPQU-CYBMUJFWSA-N 1 2 275.356 1.608 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C1CC2(CC2)C1 ZINC001690976871 1158510505 /nfs/dbraw/zinc/51/05/05/1158510505.db2.gz XEWSTTHVXGVCOI-UHFFFAOYSA-N 1 2 256.777 1.977 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C1CC2(CC2)C1 ZINC001690976871 1158510507 /nfs/dbraw/zinc/51/05/07/1158510507.db2.gz XEWSTTHVXGVCOI-UHFFFAOYSA-N 1 2 256.777 1.977 20 30 CDEDLO Cn1ncnc1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000389391840 1158693081 /nfs/dbraw/zinc/69/30/81/1158693081.db2.gz VKRXWIBAEQRQKX-UHFFFAOYSA-N 1 2 257.297 1.007 20 30 CDEDLO O=C(C#CC1CC1)N[C@@H]1[C@H]2C[N@H+](Cc3cscn3)C[C@H]21 ZINC001114258524 1162462875 /nfs/dbraw/zinc/46/28/75/1162462875.db2.gz UMMBCKMJIIPGIL-NHAGDIPZSA-N 1 2 287.388 1.103 20 30 CDEDLO O=C(C#CC1CC1)N[C@@H]1[C@H]2C[N@@H+](Cc3cscn3)C[C@H]21 ZINC001114258524 1162462876 /nfs/dbraw/zinc/46/28/76/1162462876.db2.gz UMMBCKMJIIPGIL-NHAGDIPZSA-N 1 2 287.388 1.103 20 30 CDEDLO C=CCn1cccc1C(=O)NCC[NH2+]Cc1cnsn1 ZINC001129503087 1162477463 /nfs/dbraw/zinc/47/74/63/1162477463.db2.gz WDDNHLVMCQUAIS-UHFFFAOYSA-N 1 2 291.380 1.045 20 30 CDEDLO C=CCCC(=O)N1CCC[C@H](N2CC[N@@H+](CC)CC2=O)C1 ZINC001131709158 1163008073 /nfs/dbraw/zinc/00/80/73/1163008073.db2.gz GWLFFEBZCCUGDB-AWEZNQCLSA-N 1 2 293.411 1.108 20 30 CDEDLO C=CCCC(=O)N1CCC[C@H](N2CC[N@H+](CC)CC2=O)C1 ZINC001131709158 1163008078 /nfs/dbraw/zinc/00/80/78/1163008078.db2.gz GWLFFEBZCCUGDB-AWEZNQCLSA-N 1 2 293.411 1.108 20 30 CDEDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)C[C@H](O)CC#N ZINC000809573770 1163040909 /nfs/dbraw/zinc/04/09/09/1163040909.db2.gz XSPFTOVKCUVFQR-CYBMUJFWSA-N 1 2 291.351 1.230 20 30 CDEDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)C[C@H](O)CC#N ZINC000809573770 1163040912 /nfs/dbraw/zinc/04/09/12/1163040912.db2.gz XSPFTOVKCUVFQR-CYBMUJFWSA-N 1 2 291.351 1.230 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)COCC)CC[C@@H]1C ZINC001131797618 1163054563 /nfs/dbraw/zinc/05/45/63/1163054563.db2.gz LXSPWYAKZKATLZ-NWDGAFQWSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)COCC)CC[C@@H]1C ZINC001131797618 1163054569 /nfs/dbraw/zinc/05/45/69/1163054569.db2.gz LXSPWYAKZKATLZ-NWDGAFQWSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001131867102 1163093552 /nfs/dbraw/zinc/09/35/52/1163093552.db2.gz JCPYTNKIPYYLJY-HNNXBMFYSA-N 1 2 295.383 1.418 20 30 CDEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nccn2C)C1 ZINC001131899840 1163101411 /nfs/dbraw/zinc/10/14/11/1163101411.db2.gz QRGLRJHSTXEPOC-KBPBESRZSA-N 1 2 290.411 1.855 20 30 CDEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nccn2C)C1 ZINC001131899840 1163101414 /nfs/dbraw/zinc/10/14/14/1163101414.db2.gz QRGLRJHSTXEPOC-KBPBESRZSA-N 1 2 290.411 1.855 20 30 CDEDLO C[C@@H]1[C@@H](NCC#N)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000986428311 1160455686 /nfs/dbraw/zinc/45/56/86/1160455686.db2.gz VSAQXKZGWUHNJE-PWSUYJOCSA-N 1 2 283.335 1.279 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H](OCC)C(=C)C)CC1 ZINC001112906651 1162057418 /nfs/dbraw/zinc/05/74/18/1162057418.db2.gz KONHYXATAPUZPA-CQSZACIVSA-N 1 2 266.385 1.688 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1nc(C)ncc1C#N ZINC001157460587 1162099344 /nfs/dbraw/zinc/09/93/44/1162099344.db2.gz WTSINASGMBGJLZ-UHFFFAOYSA-N 1 2 256.313 1.380 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(SC)CC1 ZINC000790080611 1162123422 /nfs/dbraw/zinc/12/34/22/1162123422.db2.gz YGUAZIZHQBUPNG-NSHDSACASA-N 1 2 252.383 1.096 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(SC)CC1 ZINC000790080611 1162123423 /nfs/dbraw/zinc/12/34/23/1162123423.db2.gz YGUAZIZHQBUPNG-NSHDSACASA-N 1 2 252.383 1.096 20 30 CDEDLO C=CC[C@@H](NC(=O)NCc1c[nH+]cn1C)c1ccncc1 ZINC000812048759 1163578507 /nfs/dbraw/zinc/57/85/07/1163578507.db2.gz XQVSZBBJOVWLOV-CQSZACIVSA-N 1 2 285.351 1.932 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+]Cc1nc(C2CCC2)no1 ZINC001133142428 1163581844 /nfs/dbraw/zinc/58/18/44/1163581844.db2.gz ASYRJQFKATVKKR-UHFFFAOYSA-N 1 2 292.383 1.899 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+]Cc1nonc1C ZINC001133378846 1163663028 /nfs/dbraw/zinc/66/30/28/1163663028.db2.gz OMHSZIOHCVPDOV-CYBMUJFWSA-N 1 2 266.345 1.186 20 30 CDEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cn(C[C@H]2CCCO2)nn1 ZINC000877482189 1166046978 /nfs/dbraw/zinc/04/69/78/1166046978.db2.gz ATGNPTIVMDQOQB-HUUCEWRRSA-N 1 2 276.384 1.998 20 30 CDEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cn(C[C@H]2CCCO2)nn1 ZINC000877482189 1166046985 /nfs/dbraw/zinc/04/69/85/1166046985.db2.gz ATGNPTIVMDQOQB-HUUCEWRRSA-N 1 2 276.384 1.998 20 30 CDEDLO C=CCOc1cc(C)nc(NC[C@H]2C[N@H+](C)CCO2)n1 ZINC001155196941 1167107225 /nfs/dbraw/zinc/10/72/25/1167107225.db2.gz QPLWALVZBZNQOO-LBPRGKRZSA-N 1 2 278.356 1.092 20 30 CDEDLO C=CCOc1cc(C)nc(NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC001155196941 1167107229 /nfs/dbraw/zinc/10/72/29/1167107229.db2.gz QPLWALVZBZNQOO-LBPRGKRZSA-N 1 2 278.356 1.092 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1sccc1C#N ZINC001650064522 1169675416 /nfs/dbraw/zinc/67/54/16/1169675416.db2.gz QECUCWNHGYKFCN-JTQLQIEISA-N 1 2 294.380 1.462 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1sccc1C#N ZINC001650064522 1169675425 /nfs/dbraw/zinc/67/54/25/1169675425.db2.gz QECUCWNHGYKFCN-JTQLQIEISA-N 1 2 294.380 1.462 20 30 CDEDLO N#C[C@H]1CC[C@@H]([NH2+]Cc2nc(-c3nn[nH]n3)cs2)C1 ZINC001592672425 1173962682 /nfs/dbraw/zinc/96/26/82/1173962682.db2.gz IDGDEAPKEOSILI-JGVFFNPUSA-N 1 2 275.341 1.105 20 30 CDEDLO CC(C)C[C@@H](C(=O)N1CC[C@H](NCC#N)C1)n1cc[nH+]c1 ZINC001714326467 1179085971 /nfs/dbraw/zinc/08/59/71/1179085971.db2.gz QRSJLPJCXGTYBU-KBPBESRZSA-N 1 2 289.383 1.184 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[N@H+](C)Cc1nccnc1C ZINC001753062011 1185029002 /nfs/dbraw/zinc/02/90/02/1185029002.db2.gz RTTNWVNIMKBXOB-AWEZNQCLSA-N 1 2 290.411 1.935 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[N@@H+](C)Cc1nccnc1C ZINC001753062011 1185029007 /nfs/dbraw/zinc/02/90/07/1185029007.db2.gz RTTNWVNIMKBXOB-AWEZNQCLSA-N 1 2 290.411 1.935 20 30 CDEDLO C=CC(C)(C)CC(=O)N(CCC)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001753316872 1185150940 /nfs/dbraw/zinc/15/09/40/1185150940.db2.gz CESVDGCIOPAAHL-CYBMUJFWSA-N 1 2 295.427 1.387 20 30 CDEDLO C=CC(C)(C)CC(=O)N(CCC)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001753316872 1185150944 /nfs/dbraw/zinc/15/09/44/1185150944.db2.gz CESVDGCIOPAAHL-CYBMUJFWSA-N 1 2 295.427 1.387 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)COc2ccccc2F)C1 ZINC001753399470 1185186348 /nfs/dbraw/zinc/18/63/48/1185186348.db2.gz KZGYRXDPMDVJMI-UHFFFAOYSA-N 1 2 276.311 1.028 20 30 CDEDLO C=CC(C)(C)CC(=O)NC[C@H](CC)[NH2+]Cc1nnc(C)o1 ZINC001753475071 1185227127 /nfs/dbraw/zinc/22/71/27/1185227127.db2.gz JEYNDZGCFZPJIE-LBPRGKRZSA-N 1 2 294.399 1.965 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@H](C)C[NH2+][C@H](C)c1nc(CC)no1 ZINC001754238325 1185524506 /nfs/dbraw/zinc/52/45/06/1185524506.db2.gz NDXQSCHAXSJTQS-GHMZBOCLSA-N 1 2 294.399 2.000 20 30 CDEDLO C#CCCCCC(=O)N(C)C1CN(Cc2c[nH+]cn2C)C1 ZINC001754573554 1185671418 /nfs/dbraw/zinc/67/14/18/1185671418.db2.gz QENGFSANFMKJQH-UHFFFAOYSA-N 1 2 288.395 1.256 20 30 CDEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@@H](C=C)c2ccccc2)C1 ZINC001754779023 1185730269 /nfs/dbraw/zinc/73/02/69/1185730269.db2.gz LFABKOGKZNIEMQ-INIZCTEOSA-N 1 2 298.386 1.142 20 30 CDEDLO C=CCCCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2csnn2)C1 ZINC001755113034 1185820210 /nfs/dbraw/zinc/82/02/10/1185820210.db2.gz DDOPVAHAWAVJRM-YPMHNXCESA-N 1 2 294.424 1.831 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@@H](C)CCC[NH2+]CC(F)(F)C(F)F ZINC001755490479 1185969406 /nfs/dbraw/zinc/96/94/06/1185969406.db2.gz RAYJDKXTFLHRLN-BDAKNGLRSA-N 1 2 297.296 1.921 20 30 CDEDLO C=CCCC(=O)NC[C@@H](C)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001756008998 1186121373 /nfs/dbraw/zinc/12/13/73/1186121373.db2.gz FRBDESPCULRTNX-GFCCVEGCSA-N 1 2 292.383 1.272 20 30 CDEDLO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1[nH]ncc1F ZINC001135408116 1164138778 /nfs/dbraw/zinc/13/87/78/1164138778.db2.gz SFTRXABKJVSWQY-ZJUUUORDSA-N 1 2 266.320 1.059 20 30 CDEDLO C=CC[NH+]1CCN(c2nc(Cl)c(C#N)cc2C#N)CC1 ZINC001165031732 721866826 /nfs/dbraw/zinc/86/68/26/721866826.db2.gz SGKBPTLUCLUIAE-UHFFFAOYSA-N 1 2 287.754 1.786 20 30 CDEDLO C=CC[NH+]1CCN(c2ncnc3c2[C@@H](C)CC(=O)N3)CC1 ZINC001165031750 721867429 /nfs/dbraw/zinc/86/74/29/721867429.db2.gz UGKUXCYVMBKFMS-NSHDSACASA-N 1 2 287.367 1.230 20 30 CDEDLO C#CCC1([NH2+]Cc2nnsc2Cl)CCOCC1 ZINC000887125934 818005588 /nfs/dbraw/zinc/00/55/88/818005588.db2.gz PVTOOYRZYCSONM-UHFFFAOYSA-N 1 2 271.773 1.854 20 30 CDEDLO C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000782587387 818014762 /nfs/dbraw/zinc/01/47/62/818014762.db2.gz ZIMAXBPTBVHWLN-GFCCVEGCSA-N 1 2 273.336 1.251 20 30 CDEDLO C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000782587387 818014770 /nfs/dbraw/zinc/01/47/70/818014770.db2.gz ZIMAXBPTBVHWLN-GFCCVEGCSA-N 1 2 273.336 1.251 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)noc1C ZINC001038062312 818102881 /nfs/dbraw/zinc/10/28/81/818102881.db2.gz FECPHJXYRUEKHM-GFCCVEGCSA-N 1 2 261.325 1.119 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)noc1C ZINC001038062312 818102891 /nfs/dbraw/zinc/10/28/91/818102891.db2.gz FECPHJXYRUEKHM-GFCCVEGCSA-N 1 2 261.325 1.119 20 30 CDEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1CC2(COC2)CC1=O ZINC000872562451 818210148 /nfs/dbraw/zinc/21/01/48/818210148.db2.gz QMCVLZJOMQLYCC-UHFFFAOYSA-N 1 2 285.347 1.196 20 30 CDEDLO C[N@H+](Cc1cccc(C#N)c1)CN1CC2(COC2)CC1=O ZINC000872562451 818210162 /nfs/dbraw/zinc/21/01/62/818210162.db2.gz QMCVLZJOMQLYCC-UHFFFAOYSA-N 1 2 285.347 1.196 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(CC)s1 ZINC001032812666 818278125 /nfs/dbraw/zinc/27/81/25/818278125.db2.gz PAPLCXMPPKYDDF-QWRGUYRKSA-N 1 2 277.393 1.790 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(CC)s1 ZINC001032812666 818278129 /nfs/dbraw/zinc/27/81/29/818278129.db2.gz PAPLCXMPPKYDDF-QWRGUYRKSA-N 1 2 277.393 1.790 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)c3nnc[nH]3)CCC[C@H]12 ZINC000992334201 818281685 /nfs/dbraw/zinc/28/16/85/818281685.db2.gz UPVBXOYZEWYSTA-GXFFZTMASA-N 1 2 295.774 1.284 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)c3nnc[nH]3)CCC[C@H]12 ZINC000992334201 818281691 /nfs/dbraw/zinc/28/16/91/818281691.db2.gz UPVBXOYZEWYSTA-GXFFZTMASA-N 1 2 295.774 1.284 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001043313225 818325258 /nfs/dbraw/zinc/32/52/58/818325258.db2.gz ICZDIMXLLPDTCC-JKSUJKDBSA-N 1 2 292.423 1.768 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnc(C)n2C)C1 ZINC001043637310 818335694 /nfs/dbraw/zinc/33/56/94/818335694.db2.gz HOAHIRXDQRUYJL-UHFFFAOYSA-N 1 2 262.357 1.061 20 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BJSDBONRXIHELO-AWEZNQCLSA-N 1 2 292.354 1.751 20 30 CDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000853621082 818467604 /nfs/dbraw/zinc/46/76/04/818467604.db2.gz PFNLXDNCJGDVOC-MRXNPFEDSA-N 1 2 294.395 1.337 20 30 CDEDLO C#CCC[N@H+](CCOC)CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000853621082 818467617 /nfs/dbraw/zinc/46/76/17/818467617.db2.gz PFNLXDNCJGDVOC-MRXNPFEDSA-N 1 2 294.395 1.337 20 30 CDEDLO C=CCN1CC[C@@H](N(C)C(=O)c2cccc3[nH+]ccn32)C1=O ZINC000798547018 818474821 /nfs/dbraw/zinc/47/48/21/818474821.db2.gz PCPATXVXTZEDJV-GFCCVEGCSA-N 1 2 298.346 1.193 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2cc(C3CC3)no2)C1 ZINC001042897630 818500333 /nfs/dbraw/zinc/50/03/33/818500333.db2.gz RYWXVWLBWABXAN-UHFFFAOYSA-N 1 2 289.379 1.813 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn(CC)cn2)C1 ZINC001033588644 818540704 /nfs/dbraw/zinc/54/07/04/818540704.db2.gz OAYRLKYKVRZLDT-GFCCVEGCSA-N 1 2 296.802 1.802 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(CC)cn2)C1 ZINC001033588644 818540722 /nfs/dbraw/zinc/54/07/22/818540722.db2.gz OAYRLKYKVRZLDT-GFCCVEGCSA-N 1 2 296.802 1.802 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](C/C=C/Cl)CC2)nc1 ZINC000050071626 818563317 /nfs/dbraw/zinc/56/33/17/818563317.db2.gz ZIHYYTQKGYYZIS-DAFODLJHSA-N 1 2 262.744 1.828 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001028150310 818597140 /nfs/dbraw/zinc/59/71/40/818597140.db2.gz PBBKPVQXVFEARA-DGAVXFQQSA-N 1 2 298.814 1.887 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001028150310 818597144 /nfs/dbraw/zinc/59/71/44/818597144.db2.gz PBBKPVQXVFEARA-DGAVXFQQSA-N 1 2 298.814 1.887 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)o1 ZINC001018095302 818608443 /nfs/dbraw/zinc/60/84/43/818608443.db2.gz HKWWYIBJXKEYQQ-BETUJISGSA-N 1 2 288.347 1.600 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)o1 ZINC001018095302 818608454 /nfs/dbraw/zinc/60/84/54/818608454.db2.gz HKWWYIBJXKEYQQ-BETUJISGSA-N 1 2 288.347 1.600 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000878817466 818630698 /nfs/dbraw/zinc/63/06/98/818630698.db2.gz ULLLAEXYZSDDBW-ZDUSSCGKSA-N 1 2 288.395 1.603 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)n([C@@H](C)CC)n1 ZINC001038437199 818631233 /nfs/dbraw/zinc/63/12/33/818631233.db2.gz UMBOMUPNBREWHL-GXTWGEPZSA-N 1 2 288.395 1.600 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)n([C@@H](C)CC)n1 ZINC001038437199 818631238 /nfs/dbraw/zinc/63/12/38/818631238.db2.gz UMBOMUPNBREWHL-GXTWGEPZSA-N 1 2 288.395 1.600 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001017683268 818701194 /nfs/dbraw/zinc/70/11/94/818701194.db2.gz HYAIAWNWTOUQLL-QCODTGAPSA-N 1 2 272.392 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001017683268 818701204 /nfs/dbraw/zinc/70/12/04/818701204.db2.gz HYAIAWNWTOUQLL-QCODTGAPSA-N 1 2 272.392 1.731 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2csc(C)n2)C1 ZINC001043626579 818704828 /nfs/dbraw/zinc/70/48/28/818704828.db2.gz NQOQSCGAENDGFD-UHFFFAOYSA-N 1 2 265.382 1.784 20 30 CDEDLO C#CC[C@@H](NCc1c[nH+]c2ccc(C)cn12)C(=O)OC ZINC000839169706 818748546 /nfs/dbraw/zinc/74/85/46/818748546.db2.gz UWUQIADQHWKRAV-CYBMUJFWSA-N 1 2 271.320 1.297 20 30 CDEDLO C#CCCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890263214 818763577 /nfs/dbraw/zinc/76/35/77/818763577.db2.gz XHOCJFAXWQEPSL-OAHLLOKOSA-N 1 2 282.347 1.947 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001007138515 818801000 /nfs/dbraw/zinc/80/10/00/818801000.db2.gz DQINRQMVDHUCCY-LBPRGKRZSA-N 1 2 292.770 1.833 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001007138515 818801002 /nfs/dbraw/zinc/80/10/02/818801002.db2.gz DQINRQMVDHUCCY-LBPRGKRZSA-N 1 2 292.770 1.833 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCO[C@@H](CC)C2)C1 ZINC001044152126 818872630 /nfs/dbraw/zinc/87/26/30/818872630.db2.gz JYLYXQWGYCHEKO-ZFWWWQNUSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccnn2C)C1 ZINC001034128068 818905707 /nfs/dbraw/zinc/90/57/07/818905707.db2.gz QTVDCYPUJSVPJI-LBPRGKRZSA-N 1 2 296.802 1.757 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccnn2C)C1 ZINC001034128068 818905709 /nfs/dbraw/zinc/90/57/09/818905709.db2.gz QTVDCYPUJSVPJI-LBPRGKRZSA-N 1 2 296.802 1.757 20 30 CDEDLO C[NH+]1CCN(C2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000866211823 818990986 /nfs/dbraw/zinc/99/09/86/818990986.db2.gz MUEOLTPIDJVKLI-UHFFFAOYSA-N 1 2 285.395 1.169 20 30 CDEDLO Cc1nnc([C@H](C)[NH2+][C@H]2CCN(C(=O)C#CC3CC3)C2)o1 ZINC001018832042 819033633 /nfs/dbraw/zinc/03/36/33/819033633.db2.gz YJLNXYFXYYOHBV-GWCFXTLKSA-N 1 2 288.351 1.043 20 30 CDEDLO C#CCC[C@H](O)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000799076375 819036857 /nfs/dbraw/zinc/03/68/57/819036857.db2.gz UNOMUHJGRFQHGF-AWEZNQCLSA-N 1 2 285.347 1.076 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)noc1C1CC1 ZINC001032525021 819058118 /nfs/dbraw/zinc/05/81/18/819058118.db2.gz ZMSWTHMXSTVMEM-STQMWFEESA-N 1 2 287.363 1.945 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)noc1C1CC1 ZINC001032525021 819058127 /nfs/dbraw/zinc/05/81/27/819058127.db2.gz ZMSWTHMXSTVMEM-STQMWFEESA-N 1 2 287.363 1.945 20 30 CDEDLO C[C@H]1CN=C(N2CC[NH+](CC3(CC#N)CC3)CC2)S1 ZINC000878264935 819058890 /nfs/dbraw/zinc/05/88/90/819058890.db2.gz IOWQRISVIOMBFN-LBPRGKRZSA-N 1 2 278.425 1.789 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cnn3c2CCC3)C1 ZINC001014650145 819083929 /nfs/dbraw/zinc/08/39/29/819083929.db2.gz UGKQJCGELKGAJD-LLVKDONJSA-N 1 2 294.786 1.386 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cnn3c2CCC3)C1 ZINC001014650145 819083936 /nfs/dbraw/zinc/08/39/36/819083936.db2.gz UGKQJCGELKGAJD-LLVKDONJSA-N 1 2 294.786 1.386 20 30 CDEDLO N#CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000343018955 819094072 /nfs/dbraw/zinc/09/40/72/819094072.db2.gz XHMLELQPVHPERQ-UHFFFAOYSA-N 1 2 285.263 1.424 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC(CC)(CC)C1 ZINC000884409339 819109630 /nfs/dbraw/zinc/10/96/30/819109630.db2.gz GVUNNIKHFWMLJV-ZDUSSCGKSA-N 1 2 296.411 1.862 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccnc3ccncc32)C1 ZINC001043471605 819170085 /nfs/dbraw/zinc/17/00/85/819170085.db2.gz ZZSKPWNWCVCVSY-UHFFFAOYSA-N 1 2 296.374 1.962 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1CCC ZINC001038445456 819208141 /nfs/dbraw/zinc/20/81/41/819208141.db2.gz SYHOXHZYDNZQHZ-GFCCVEGCSA-N 1 2 274.368 1.190 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1CCC ZINC001038445456 819208149 /nfs/dbraw/zinc/20/81/49/819208149.db2.gz SYHOXHZYDNZQHZ-GFCCVEGCSA-N 1 2 274.368 1.190 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1coc(Br)c1 ZINC001038328766 819215003 /nfs/dbraw/zinc/21/50/03/819215003.db2.gz PAXLOZQCVOCNIJ-JTQLQIEISA-N 1 2 297.152 1.479 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(Br)c1 ZINC001038328766 819215012 /nfs/dbraw/zinc/21/50/12/819215012.db2.gz PAXLOZQCVOCNIJ-JTQLQIEISA-N 1 2 297.152 1.479 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C)c(C)n2)C1 ZINC001030684618 819256463 /nfs/dbraw/zinc/25/64/63/819256463.db2.gz LCVWEOCYLXBZFB-UHFFFAOYSA-N 1 2 257.337 1.136 20 30 CDEDLO Cc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)cn2)nn1C ZINC000800490284 819261971 /nfs/dbraw/zinc/26/19/71/819261971.db2.gz JLEJYBAHXSXUOE-LLVKDONJSA-N 1 2 255.325 1.846 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(F)F)n[nH]1 ZINC001032621331 819262453 /nfs/dbraw/zinc/26/24/53/819262453.db2.gz WUVRJHJIRFELLR-UWVGGRQHSA-N 1 2 294.305 1.269 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(F)F)n[nH]1 ZINC001032621331 819262460 /nfs/dbraw/zinc/26/24/60/819262460.db2.gz WUVRJHJIRFELLR-UWVGGRQHSA-N 1 2 294.305 1.269 20 30 CDEDLO C=CCC1(O)CC[NH+]([C@H](C)c2nnc(CC)[nH]2)CC1 ZINC000886778810 819264266 /nfs/dbraw/zinc/26/42/66/819264266.db2.gz WADIKFWEWZLERJ-LLVKDONJSA-N 1 2 264.373 1.831 20 30 CDEDLO Cc1nc(NC[C@@H]2CCCN2C(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001064870679 819299525 /nfs/dbraw/zinc/29/95/25/819299525.db2.gz HUQWHNKOBMSZLT-JQWIXIFHSA-N 1 2 273.340 1.348 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCOC[C@@H]2C)C1 ZINC001030917684 819317437 /nfs/dbraw/zinc/31/74/37/819317437.db2.gz GICQPPHWBBIQEU-WCQYABFASA-N 1 2 252.358 1.036 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001073729842 819342589 /nfs/dbraw/zinc/34/25/89/819342589.db2.gz YIQISTZOVBYTMH-KGYLQXTDSA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001073729842 819342598 /nfs/dbraw/zinc/34/25/98/819342598.db2.gz YIQISTZOVBYTMH-KGYLQXTDSA-N 1 2 286.803 1.602 20 30 CDEDLO C#CCOc1ccccc1C[NH2+]Cc1nnc(CC)[nH]1 ZINC000392406971 819360852 /nfs/dbraw/zinc/36/08/52/819360852.db2.gz JOEJXOCDWMDXPT-UHFFFAOYSA-N 1 2 270.336 1.669 20 30 CDEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1sccc1C(N)=O ZINC000846985635 819365735 /nfs/dbraw/zinc/36/57/35/819365735.db2.gz GVVWSAOTRLXDSJ-RKDXNWHRSA-N 1 2 294.380 1.456 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000809626701 819384547 /nfs/dbraw/zinc/38/45/47/819384547.db2.gz MVXMREHVIHUTEI-UHFFFAOYSA-N 1 2 283.331 1.045 20 30 CDEDLO C#CCC1(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)CCOCC1 ZINC000887345957 819454117 /nfs/dbraw/zinc/45/41/17/819454117.db2.gz KOCSKYQCOXCENR-ZDUSSCGKSA-N 1 2 290.367 1.143 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc(F)cc2Cl)C1 ZINC001030893982 819472304 /nfs/dbraw/zinc/47/23/04/819472304.db2.gz YSJSHXZIYTVEPO-UHFFFAOYSA-N 1 2 294.757 1.845 20 30 CDEDLO C#CC1CCN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000825728412 819475572 /nfs/dbraw/zinc/47/55/72/819475572.db2.gz VDBKSKMLLHUPJI-LBPRGKRZSA-N 1 2 260.341 1.326 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(CC)on1 ZINC001038929486 819481560 /nfs/dbraw/zinc/48/15/60/819481560.db2.gz CVOFKDFLBVFXOE-LLVKDONJSA-N 1 2 261.325 1.064 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(CC)on1 ZINC001038929486 819481567 /nfs/dbraw/zinc/48/15/67/819481567.db2.gz CVOFKDFLBVFXOE-LLVKDONJSA-N 1 2 261.325 1.064 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1nc(C#N)cs1 ZINC000887977780 819643776 /nfs/dbraw/zinc/64/37/76/819643776.db2.gz VVLZWVZNPOZOES-QMMMGPOBSA-N 1 2 275.337 1.233 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1nc(C#N)cs1 ZINC000887977780 819643781 /nfs/dbraw/zinc/64/37/81/819643781.db2.gz VVLZWVZNPOZOES-QMMMGPOBSA-N 1 2 275.337 1.233 20 30 CDEDLO C[C@H](C#N)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000849194281 819677507 /nfs/dbraw/zinc/67/75/07/819677507.db2.gz IDPLOHGOXAYAJK-SECBINFHSA-N 1 2 286.247 1.849 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1 ZINC001017304704 819695815 /nfs/dbraw/zinc/69/58/15/819695815.db2.gz ZRJRGBPHARDOSG-OKILXGFUSA-N 1 2 255.321 1.004 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1 ZINC001017304704 819695825 /nfs/dbraw/zinc/69/58/25/819695825.db2.gz ZRJRGBPHARDOSG-OKILXGFUSA-N 1 2 255.321 1.004 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccc(C)n2)C1 ZINC001042488949 819704275 /nfs/dbraw/zinc/70/42/75/819704275.db2.gz AIGSDEQGULMWAF-UHFFFAOYSA-N 1 2 257.337 1.170 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)c(C)cn2)C1 ZINC001035460630 819801908 /nfs/dbraw/zinc/80/19/08/819801908.db2.gz QSAKWFHCPOKBQQ-AWEZNQCLSA-N 1 2 289.379 1.315 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)c(C)cn2)C1 ZINC001035460630 819801909 /nfs/dbraw/zinc/80/19/09/819801909.db2.gz QSAKWFHCPOKBQQ-AWEZNQCLSA-N 1 2 289.379 1.315 20 30 CDEDLO C#Cc1cncc(C(=O)NC[C@H]2C[N@H+](CC(=C)C)CCO2)c1 ZINC001035506934 819807865 /nfs/dbraw/zinc/80/78/65/819807865.db2.gz ZOQOBYKFUWHXHF-INIZCTEOSA-N 1 2 299.374 1.070 20 30 CDEDLO C#Cc1cncc(C(=O)NC[C@H]2C[N@@H+](CC(=C)C)CCO2)c1 ZINC001035506934 819807866 /nfs/dbraw/zinc/80/78/66/819807866.db2.gz ZOQOBYKFUWHXHF-INIZCTEOSA-N 1 2 299.374 1.070 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(C3CC3)CC1)CO2 ZINC001053838533 819814543 /nfs/dbraw/zinc/81/45/43/819814543.db2.gz FCADHWINYOQMSS-CQSZACIVSA-N 1 2 288.391 1.159 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cc(F)ccc2OC)C1 ZINC001031131286 819836929 /nfs/dbraw/zinc/83/69/29/819836929.db2.gz YTEKBRAOVWGIOU-UHFFFAOYSA-N 1 2 292.354 1.753 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2n[nH]c(C)c2c1 ZINC001039004901 819837123 /nfs/dbraw/zinc/83/71/23/819837123.db2.gz AGOLEWAOHZBJAP-CYBMUJFWSA-N 1 2 297.362 1.094 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2n[nH]c(C)c2c1 ZINC001039004901 819837124 /nfs/dbraw/zinc/83/71/24/819837124.db2.gz AGOLEWAOHZBJAP-CYBMUJFWSA-N 1 2 297.362 1.094 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC[C@H](CC)O2)C1 ZINC001030391628 819846357 /nfs/dbraw/zinc/84/63/57/819846357.db2.gz GDUFJROCDGUSOO-QWHCGFSZSA-N 1 2 252.358 1.321 20 30 CDEDLO Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C#N)C1 ZINC000932160451 819852308 /nfs/dbraw/zinc/85/23/08/819852308.db2.gz DQEIEXCEKPPRHU-HUUCEWRRSA-N 1 2 274.364 1.970 20 30 CDEDLO Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](C#N)C1 ZINC000932160451 819852309 /nfs/dbraw/zinc/85/23/09/819852309.db2.gz DQEIEXCEKPPRHU-HUUCEWRRSA-N 1 2 274.364 1.970 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)nc1C(C)C ZINC001038560534 819857653 /nfs/dbraw/zinc/85/76/53/819857653.db2.gz BTDKZRQIHVUYRK-CQSZACIVSA-N 1 2 285.391 1.951 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)nc1C(C)C ZINC001038560534 819857654 /nfs/dbraw/zinc/85/76/54/819857654.db2.gz BTDKZRQIHVUYRK-CQSZACIVSA-N 1 2 285.391 1.951 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc2nc[nH]c21 ZINC001028222961 819872438 /nfs/dbraw/zinc/87/24/38/819872438.db2.gz WKJBKELIJQMGIU-CYBMUJFWSA-N 1 2 296.374 1.780 20 30 CDEDLO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc2nc[nH]c21 ZINC001028222961 819872440 /nfs/dbraw/zinc/87/24/40/819872440.db2.gz WKJBKELIJQMGIU-CYBMUJFWSA-N 1 2 296.374 1.780 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@H](NC(C)=O)CC[C@@H]1C ZINC001071282746 819878971 /nfs/dbraw/zinc/87/89/71/819878971.db2.gz OAQNIXCKOCDKIZ-GXSJLCMTSA-N 1 2 275.190 1.884 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@H](NC(C)=O)CC[C@@H]1C ZINC001071282746 819878972 /nfs/dbraw/zinc/87/89/72/819878972.db2.gz OAQNIXCKOCDKIZ-GXSJLCMTSA-N 1 2 275.190 1.884 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CCCO1)CO2 ZINC001053747513 819879923 /nfs/dbraw/zinc/87/99/23/819879923.db2.gz AAZGDAPGSSISIX-KGLIPLIRSA-N 1 2 294.395 1.091 20 30 CDEDLO Cn1c[nH+]cc1CCOC(=O)c1ccc(CC#N)cc1 ZINC000837602484 819883033 /nfs/dbraw/zinc/88/30/33/819883033.db2.gz XTXCZCNOPIQYQX-UHFFFAOYSA-N 1 2 269.304 1.886 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc(F)c1F ZINC001032651266 819887598 /nfs/dbraw/zinc/88/75/98/819887598.db2.gz OLYQZHSPOULBBR-STQMWFEESA-N 1 2 290.313 1.426 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc(F)c1F ZINC001032651266 819887599 /nfs/dbraw/zinc/88/75/99/819887599.db2.gz OLYQZHSPOULBBR-STQMWFEESA-N 1 2 290.313 1.426 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnccc1C ZINC001017627913 819894393 /nfs/dbraw/zinc/89/43/93/819894393.db2.gz BNJLKHPQMPKLHF-CALCHBBNSA-N 1 2 297.402 1.631 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnccc1C ZINC001017627913 819894395 /nfs/dbraw/zinc/89/43/95/819894395.db2.gz BNJLKHPQMPKLHF-CALCHBBNSA-N 1 2 297.402 1.631 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C2SCCS2)C1 ZINC000923567083 819896498 /nfs/dbraw/zinc/89/64/98/819896498.db2.gz RJUVZPVPQMKQLC-JTQLQIEISA-N 1 2 270.423 1.006 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C2SCCS2)C1 ZINC000923567083 819896499 /nfs/dbraw/zinc/89/64/99/819896499.db2.gz RJUVZPVPQMKQLC-JTQLQIEISA-N 1 2 270.423 1.006 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001035293419 819898408 /nfs/dbraw/zinc/89/84/08/819898408.db2.gz OLYBLHSRYVZQHH-ZIAGYGMSSA-N 1 2 264.369 1.346 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001035293419 819898409 /nfs/dbraw/zinc/89/84/09/819898409.db2.gz OLYBLHSRYVZQHH-ZIAGYGMSSA-N 1 2 264.369 1.346 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3ncccc3c2)C1 ZINC001030889748 819904578 /nfs/dbraw/zinc/90/45/78/819904578.db2.gz PHMUWUZBVONSNA-UHFFFAOYSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CCCCCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000853852811 820005058 /nfs/dbraw/zinc/00/50/58/820005058.db2.gz OVPLWVWPCDZMPN-ZIAGYGMSSA-N 1 2 281.400 1.198 20 30 CDEDLO C#CCCCCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000853852811 820005067 /nfs/dbraw/zinc/00/50/67/820005067.db2.gz OVPLWVWPCDZMPN-ZIAGYGMSSA-N 1 2 281.400 1.198 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2occ3c2CCC3)C1 ZINC001030745731 820006509 /nfs/dbraw/zinc/00/65/09/820006509.db2.gz RHRVYGNYEPYVIT-UHFFFAOYSA-N 1 2 260.337 1.758 20 30 CDEDLO C=CC[N@H+]1C[C@H](NC(=O)c2[nH]nc(C)c2C)CC[C@@H]1C ZINC001071391761 820009012 /nfs/dbraw/zinc/00/90/12/820009012.db2.gz MYYMAQXDUBONEP-GXFFZTMASA-N 1 2 276.384 1.795 20 30 CDEDLO C=CC[N@@H+]1C[C@H](NC(=O)c2[nH]nc(C)c2C)CC[C@@H]1C ZINC001071391761 820009022 /nfs/dbraw/zinc/00/90/22/820009022.db2.gz MYYMAQXDUBONEP-GXFFZTMASA-N 1 2 276.384 1.795 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)c(C)cn1 ZINC001038542690 820049672 /nfs/dbraw/zinc/04/96/72/820049672.db2.gz HIYVGVMMPPWWRL-CYBMUJFWSA-N 1 2 257.337 1.136 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)c(C)cn1 ZINC001038542690 820049682 /nfs/dbraw/zinc/04/96/82/820049682.db2.gz HIYVGVMMPPWWRL-CYBMUJFWSA-N 1 2 257.337 1.136 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2scnc2C(C)C)C1 ZINC001015810170 820067975 /nfs/dbraw/zinc/06/79/75/820067975.db2.gz BQMBOYPUTSKUQJ-LLVKDONJSA-N 1 2 277.393 1.704 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2scnc2C(C)C)C1 ZINC001015810170 820067987 /nfs/dbraw/zinc/06/79/87/820067987.db2.gz BQMBOYPUTSKUQJ-LLVKDONJSA-N 1 2 277.393 1.704 20 30 CDEDLO C#CCSCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000828460454 820087963 /nfs/dbraw/zinc/08/79/63/820087963.db2.gz ZWUJFYBOEIRLQR-GHMZBOCLSA-N 1 2 263.366 1.006 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccncc1F ZINC001038125030 820098664 /nfs/dbraw/zinc/09/86/64/820098664.db2.gz VIGMEFLZRDWAPQ-NSHDSACASA-N 1 2 261.300 1.048 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccncc1F ZINC001038125030 820098666 /nfs/dbraw/zinc/09/86/66/820098666.db2.gz VIGMEFLZRDWAPQ-NSHDSACASA-N 1 2 261.300 1.048 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933326089 820135048 /nfs/dbraw/zinc/13/50/48/820135048.db2.gz GBCWZYRKYUBETF-CABCVRRESA-N 1 2 274.364 1.487 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933326089 820135086 /nfs/dbraw/zinc/13/50/86/820135086.db2.gz GBCWZYRKYUBETF-CABCVRRESA-N 1 2 274.364 1.487 20 30 CDEDLO CCc1nsc(N2CC[NH+](CCO[C@H](C)C#N)CC2)n1 ZINC000801925586 820212194 /nfs/dbraw/zinc/21/21/94/820212194.db2.gz NURSPCAMWQGRDX-LLVKDONJSA-N 1 2 295.412 1.151 20 30 CDEDLO Cc1nc(N2CCN(C(=O)C#CC3CC3)CC2)c(C)c(C)[nH+]1 ZINC001055795480 820309483 /nfs/dbraw/zinc/30/94/83/820309483.db2.gz YYHSUESDTLPEFC-UHFFFAOYSA-N 1 2 298.390 1.464 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001051122765 820309997 /nfs/dbraw/zinc/30/99/97/820309997.db2.gz IMGPDYTVCBTYNQ-HZSPNIEDSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001051122765 820310011 /nfs/dbraw/zinc/31/00/11/820310011.db2.gz IMGPDYTVCBTYNQ-HZSPNIEDSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CCOc1ccccc1C(=O)NC1C[NH+](CCCO)C1 ZINC001030542035 820350833 /nfs/dbraw/zinc/35/08/33/820350833.db2.gz JZJZOQRZORJJQZ-UHFFFAOYSA-N 1 2 290.363 1.048 20 30 CDEDLO Cc1cccn2cc(CCNC(=O)NCCC#N)[nH+]c12 ZINC000787350791 820359782 /nfs/dbraw/zinc/35/97/82/820359782.db2.gz GMNWUZNPRAUXDR-UHFFFAOYSA-N 1 2 271.324 1.398 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc[nH]3)C[C@H]21 ZINC001074160577 820375646 /nfs/dbraw/zinc/37/56/46/820375646.db2.gz UOFKOZONDZYGFO-CABCVRRESA-N 1 2 289.379 1.506 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc[nH]3)C[C@H]21 ZINC001074160577 820375656 /nfs/dbraw/zinc/37/56/56/820375656.db2.gz UOFKOZONDZYGFO-CABCVRRESA-N 1 2 289.379 1.506 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1COCCO1 ZINC000853209117 820377530 /nfs/dbraw/zinc/37/75/30/820377530.db2.gz LHVYWXFTFVSCSN-ZDUSSCGKSA-N 1 2 276.336 1.701 20 30 CDEDLO C#CC[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1ccccc1 ZINC000866997927 820691618 /nfs/dbraw/zinc/69/16/18/820691618.db2.gz AXVKCXGDSNZTPE-XBMZPMPPSA-N 1 2 298.386 1.756 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844460547 820707910 /nfs/dbraw/zinc/70/79/10/820707910.db2.gz XTUHNXGVBNNMRT-BBBLOLIVSA-N 1 2 269.295 1.134 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844460547 820707932 /nfs/dbraw/zinc/70/79/32/820707932.db2.gz XTUHNXGVBNNMRT-BBBLOLIVSA-N 1 2 269.295 1.134 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(OC)o2)C1 ZINC001035565094 820804521 /nfs/dbraw/zinc/80/45/21/820804521.db2.gz YYYXOUYZRHPNFD-LBPRGKRZSA-N 1 2 294.351 1.295 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(OC)o2)C1 ZINC001035565094 820804522 /nfs/dbraw/zinc/80/45/22/820804522.db2.gz YYYXOUYZRHPNFD-LBPRGKRZSA-N 1 2 294.351 1.295 20 30 CDEDLO N#Cc1ccc(CNC(=O)c2cccc3[nH+]ccn32)nc1 ZINC000782029334 820810569 /nfs/dbraw/zinc/81/05/69/820810569.db2.gz UKDGZQHJAPHOBX-UHFFFAOYSA-N 1 2 277.287 1.531 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2CCOC[C@@H]2OCC)C1 ZINC001043377899 820837421 /nfs/dbraw/zinc/83/74/21/820837421.db2.gz XTOPPURQIXWGEG-HIFRSBDPSA-N 1 2 296.411 1.147 20 30 CDEDLO C[C@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCN(CC#N)C1 ZINC001046420303 821011420 /nfs/dbraw/zinc/01/14/20/821011420.db2.gz CXEHJSATNGWBHX-HNNXBMFYSA-N 1 2 283.335 1.281 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)c1ccncc1 ZINC001032473149 821015669 /nfs/dbraw/zinc/01/56/69/821015669.db2.gz DFRLWQZGHYTTNZ-BPUTZDHNSA-N 1 2 283.375 1.494 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)c1ccncc1 ZINC001032473149 821015681 /nfs/dbraw/zinc/01/56/81/821015681.db2.gz DFRLWQZGHYTTNZ-BPUTZDHNSA-N 1 2 283.375 1.494 20 30 CDEDLO C#CC[C@H]1CC[N@@H+]([C@H](C)c2nc(N)nc(Cl)n2)C1 ZINC000886364059 821079906 /nfs/dbraw/zinc/07/99/06/821079906.db2.gz NLKOQMGBOXHAQT-BDAKNGLRSA-N 1 2 265.748 1.513 20 30 CDEDLO C#CC[C@H]1CC[N@H+]([C@H](C)c2nc(N)nc(Cl)n2)C1 ZINC000886364059 821079916 /nfs/dbraw/zinc/07/99/16/821079916.db2.gz NLKOQMGBOXHAQT-BDAKNGLRSA-N 1 2 265.748 1.513 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3OCC[C@H]3C)cc2C1 ZINC001054282344 821088981 /nfs/dbraw/zinc/08/89/81/821088981.db2.gz CYEDTJHWXUAILB-DYVFJYSZSA-N 1 2 298.386 1.677 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3OCC[C@H]3C)cc2C1 ZINC001054282344 821088991 /nfs/dbraw/zinc/08/89/91/821088991.db2.gz CYEDTJHWXUAILB-DYVFJYSZSA-N 1 2 298.386 1.677 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@@H](C(=O)OCC)C1 ZINC000932648280 821153507 /nfs/dbraw/zinc/15/35/07/821153507.db2.gz VHIZBMKDBNLYTG-SECBINFHSA-N 1 2 262.147 1.780 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@@H](C(=O)OCC)C1 ZINC000932648280 821153540 /nfs/dbraw/zinc/15/35/40/821153540.db2.gz VHIZBMKDBNLYTG-SECBINFHSA-N 1 2 262.147 1.780 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)c(C)cn1 ZINC001038542692 821267904 /nfs/dbraw/zinc/26/79/04/821267904.db2.gz HIYVGVMMPPWWRL-ZDUSSCGKSA-N 1 2 257.337 1.136 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)c(C)cn1 ZINC001038542692 821267926 /nfs/dbraw/zinc/26/79/26/821267926.db2.gz HIYVGVMMPPWWRL-ZDUSSCGKSA-N 1 2 257.337 1.136 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CCCc3cccnc32)C1 ZINC001043601566 821342176 /nfs/dbraw/zinc/34/21/76/821342176.db2.gz DOQGOWKAKYOCSC-INIZCTEOSA-N 1 2 297.402 1.667 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc2CO1 ZINC001038971964 821323332 /nfs/dbraw/zinc/32/33/32/821323332.db2.gz JPKHTWISNVZKOR-SJORKVTESA-N 1 2 298.386 1.342 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc2CO1 ZINC001038971964 821323343 /nfs/dbraw/zinc/32/33/43/821323343.db2.gz JPKHTWISNVZKOR-SJORKVTESA-N 1 2 298.386 1.342 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]cc1C1CC1 ZINC001032706154 821391569 /nfs/dbraw/zinc/39/15/69/821391569.db2.gz DUEMKJFMTLVSLP-KBPBESRZSA-N 1 2 283.375 1.814 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]cc1C1CC1 ZINC001032706154 821391578 /nfs/dbraw/zinc/39/15/78/821391578.db2.gz DUEMKJFMTLVSLP-KBPBESRZSA-N 1 2 283.375 1.814 20 30 CDEDLO C[C@@H](CO)N[NH+]=Cc1cc(F)c(N(C)C)cc1F ZINC000863099677 821436140 /nfs/dbraw/zinc/43/61/40/821436140.db2.gz JZYDPIPFZPLARK-QMMMGPOBSA-N 1 2 257.284 1.335 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(OCC)no1 ZINC001032524251 821488646 /nfs/dbraw/zinc/48/86/46/821488646.db2.gz ZQIMKINNSMPHDI-QWRGUYRKSA-N 1 2 277.324 1.158 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(OCC)no1 ZINC001032524251 821488676 /nfs/dbraw/zinc/48/86/76/821488676.db2.gz ZQIMKINNSMPHDI-QWRGUYRKSA-N 1 2 277.324 1.158 20 30 CDEDLO C#CCN(CC[N@@H+]1CCO[C@H](C)C1)Cc1ccc(F)cc1 ZINC000191464608 821780122 /nfs/dbraw/zinc/78/01/22/821780122.db2.gz SITIILCVDQOYQB-OAHLLOKOSA-N 1 2 290.382 1.982 20 30 CDEDLO C#CCN(CC[N@H+]1CCO[C@H](C)C1)Cc1ccc(F)cc1 ZINC000191464608 821780138 /nfs/dbraw/zinc/78/01/38/821780138.db2.gz SITIILCVDQOYQB-OAHLLOKOSA-N 1 2 290.382 1.982 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](F)C(C)C ZINC001032572399 821802896 /nfs/dbraw/zinc/80/28/96/821802896.db2.gz PQOVACBVUUIUQP-RWMBFGLXSA-N 1 2 252.333 1.289 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](F)C(C)C ZINC001032572399 821802897 /nfs/dbraw/zinc/80/28/97/821802897.db2.gz PQOVACBVUUIUQP-RWMBFGLXSA-N 1 2 252.333 1.289 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccon1)O2 ZINC001053577373 821827891 /nfs/dbraw/zinc/82/78/91/821827891.db2.gz HNKQWXCTWCXZCJ-LBPRGKRZSA-N 1 2 291.351 1.214 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cscn2)C1 ZINC001044009641 821828002 /nfs/dbraw/zinc/82/80/02/821828002.db2.gz JKFJKPNUEFAWIV-UHFFFAOYSA-N 1 2 251.355 1.014 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001007138513 821831213 /nfs/dbraw/zinc/83/12/13/821831213.db2.gz DQINRQMVDHUCCY-GFCCVEGCSA-N 1 2 292.770 1.833 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001007138513 821831214 /nfs/dbraw/zinc/83/12/14/821831214.db2.gz DQINRQMVDHUCCY-GFCCVEGCSA-N 1 2 292.770 1.833 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+]Cc1csc(C2CC2)n1 ZINC000782968786 821850359 /nfs/dbraw/zinc/85/03/59/821850359.db2.gz RARWJPYNZPWDKU-UHFFFAOYSA-N 1 2 286.422 1.711 20 30 CDEDLO C#Cc1ccc(C[NH2+]Cc2nnnn2C2CC2)cc1 ZINC000809624347 821851915 /nfs/dbraw/zinc/85/19/15/821851915.db2.gz KZHDXFCXFCNOCE-UHFFFAOYSA-N 1 2 253.309 1.279 20 30 CDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc[nH]c2)CC1 ZINC001004449973 821858080 /nfs/dbraw/zinc/85/80/80/821858080.db2.gz KZJGNCTZBQENMV-OAHLLOKOSA-N 1 2 286.379 1.855 20 30 CDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc[nH]c2)CC1 ZINC001004449973 821858084 /nfs/dbraw/zinc/85/80/84/821858084.db2.gz KZJGNCTZBQENMV-OAHLLOKOSA-N 1 2 286.379 1.855 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cncc(N(C)C)c1 ZINC000869956717 821871053 /nfs/dbraw/zinc/87/10/53/821871053.db2.gz VLGITOBXCLOCRR-AWEZNQCLSA-N 1 2 272.352 1.184 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cncc(N(C)C)c1 ZINC000869956717 821871055 /nfs/dbraw/zinc/87/10/55/821871055.db2.gz VLGITOBXCLOCRR-AWEZNQCLSA-N 1 2 272.352 1.184 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc[nH]c1CCC ZINC001038609347 821886224 /nfs/dbraw/zinc/88/62/24/821886224.db2.gz YJRHDSOTAUAGRS-GFCCVEGCSA-N 1 2 259.353 1.405 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc[nH]c1CCC ZINC001038609347 821886225 /nfs/dbraw/zinc/88/62/25/821886225.db2.gz YJRHDSOTAUAGRS-GFCCVEGCSA-N 1 2 259.353 1.405 20 30 CDEDLO C#CCCOC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000859063694 821886735 /nfs/dbraw/zinc/88/67/35/821886735.db2.gz XLLLCUIBAUSTGN-OLZOCXBDSA-N 1 2 261.325 1.926 20 30 CDEDLO O=C(C#CC1CC1)N1CC[C@@H]2OCC[N@@H+](CCCF)[C@@H]2C1 ZINC001074235223 821896953 /nfs/dbraw/zinc/89/69/53/821896953.db2.gz DSOSLNBIXATBSL-CABCVRRESA-N 1 2 294.370 1.061 20 30 CDEDLO O=C(C#CC1CC1)N1CC[C@@H]2OCC[N@H+](CCCF)[C@@H]2C1 ZINC001074235223 821896954 /nfs/dbraw/zinc/89/69/54/821896954.db2.gz DSOSLNBIXATBSL-CABCVRRESA-N 1 2 294.370 1.061 20 30 CDEDLO C#CCCCCCC(=O)N(C)CC[NH+]1CCOCC1 ZINC000780468913 821944905 /nfs/dbraw/zinc/94/49/05/821944905.db2.gz SRNLWWPGIHCHIG-UHFFFAOYSA-N 1 2 266.385 1.361 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccsc2C)C1 ZINC001044011922 821945009 /nfs/dbraw/zinc/94/50/09/821945009.db2.gz ZUJOYICPHVERLD-UHFFFAOYSA-N 1 2 264.394 1.928 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccncc1C ZINC001032393649 822056890 /nfs/dbraw/zinc/05/68/90/822056890.db2.gz ICVRCMSJSVKTNB-KBPBESRZSA-N 1 2 269.348 1.312 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccncc1C ZINC001032393649 822056906 /nfs/dbraw/zinc/05/69/06/822056906.db2.gz ICVRCMSJSVKTNB-KBPBESRZSA-N 1 2 269.348 1.312 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(CCCC)nc1C ZINC001038899011 822060762 /nfs/dbraw/zinc/06/07/62/822060762.db2.gz FPESLNJPACGFTB-CQSZACIVSA-N 1 2 288.395 1.429 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(CCCC)nc1C ZINC001038899011 822060765 /nfs/dbraw/zinc/06/07/65/822060765.db2.gz FPESLNJPACGFTB-CQSZACIVSA-N 1 2 288.395 1.429 20 30 CDEDLO Cc1ccc(-c2nc(C=NNC3=[NH+]C[C@H](C)N3)co2)cc1 ZINC000779793292 822091097 /nfs/dbraw/zinc/09/10/97/822091097.db2.gz RVZWDPKUGWPVHD-NSHDSACASA-N 1 2 283.335 1.921 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CF)CC1 ZINC001017932231 822191922 /nfs/dbraw/zinc/19/19/22/822191922.db2.gz KDKABZVTYNKHHC-TXEJJXNPSA-N 1 2 250.317 1.045 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CF)CC1 ZINC001017932231 822191976 /nfs/dbraw/zinc/19/19/76/822191976.db2.gz KDKABZVTYNKHHC-TXEJJXNPSA-N 1 2 250.317 1.045 20 30 CDEDLO C#CCOCC[N@@H+](C)[C@H](Cc1ccccc1)C(=O)OCC ZINC000851776784 822222187 /nfs/dbraw/zinc/22/21/87/822222187.db2.gz AKCOWEMUGXTWMN-MRXNPFEDSA-N 1 2 289.375 1.742 20 30 CDEDLO C#CCOCC[N@H+](C)[C@H](Cc1ccccc1)C(=O)OCC ZINC000851776784 822222202 /nfs/dbraw/zinc/22/22/02/822222202.db2.gz AKCOWEMUGXTWMN-MRXNPFEDSA-N 1 2 289.375 1.742 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001043944388 822244089 /nfs/dbraw/zinc/24/40/89/822244089.db2.gz FHTJZGKNOVNBCR-LSDHHAIUSA-N 1 2 271.364 1.514 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccc3c2COCC3)C1 ZINC001042894381 822314653 /nfs/dbraw/zinc/31/46/53/822314653.db2.gz KSOIJDQYMQYOJO-UHFFFAOYSA-N 1 2 298.386 1.539 20 30 CDEDLO N#C[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000928222072 822368448 /nfs/dbraw/zinc/36/84/48/822368448.db2.gz PPELSWALQQMKPQ-LLVKDONJSA-N 1 2 254.293 1.710 20 30 CDEDLO N#CCOc1cccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000786782460 822379555 /nfs/dbraw/zinc/37/95/55/822379555.db2.gz LQPUNCQQUROWLT-GFCCVEGCSA-N 1 2 296.330 1.987 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CSC)[C@@H]2C1 ZINC001075521764 822393560 /nfs/dbraw/zinc/39/35/60/822393560.db2.gz ZWEFCGCCUAOSDA-WDEREUQCSA-N 1 2 274.817 1.635 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CSC)[C@@H]2C1 ZINC001075521764 822393565 /nfs/dbraw/zinc/39/35/65/822393565.db2.gz ZWEFCGCCUAOSDA-WDEREUQCSA-N 1 2 274.817 1.635 20 30 CDEDLO C#CCOCCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000851722321 822395845 /nfs/dbraw/zinc/39/58/45/822395845.db2.gz DFSXQPBSEKUMNO-UHFFFAOYSA-N 1 2 283.375 1.326 20 30 CDEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000878880448 822486179 /nfs/dbraw/zinc/48/61/79/822486179.db2.gz ZMXHEQRCTXZWQF-CYBMUJFWSA-N 1 2 267.417 1.341 20 30 CDEDLO CC(C)OC(=O)C(C)(C)[NH2+]CCCSCC#N ZINC000934818002 822500155 /nfs/dbraw/zinc/50/01/55/822500155.db2.gz ODUQKXSPUBEMCM-UHFFFAOYSA-N 1 2 258.387 1.953 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)Cc2ccccc2)C1 ZINC000885514118 822521114 /nfs/dbraw/zinc/52/11/14/822521114.db2.gz PYOFMFQRVOXDAZ-HNNXBMFYSA-N 1 2 292.404 1.204 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)Cc2ccccc2)C1 ZINC000885514118 822521119 /nfs/dbraw/zinc/52/11/19/822521119.db2.gz PYOFMFQRVOXDAZ-HNNXBMFYSA-N 1 2 292.404 1.204 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cnsn3)cc2C1 ZINC001054257300 822530507 /nfs/dbraw/zinc/53/05/07/822530507.db2.gz FQNUHBZFXCEXRM-UHFFFAOYSA-N 1 2 298.371 1.417 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cnsn3)cc2C1 ZINC001054257300 822530515 /nfs/dbraw/zinc/53/05/15/822530515.db2.gz FQNUHBZFXCEXRM-UHFFFAOYSA-N 1 2 298.371 1.417 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001035366764 822548153 /nfs/dbraw/zinc/54/81/53/822548153.db2.gz QWVILILPVLOABP-LSDHHAIUSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001035366764 822548159 /nfs/dbraw/zinc/54/81/59/822548159.db2.gz QWVILILPVLOABP-LSDHHAIUSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CCNC(=O)[C@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845277960 822566362 /nfs/dbraw/zinc/56/63/62/822566362.db2.gz QOXKRUYWHNPESN-MNOVXSKESA-N 1 2 265.313 1.068 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)ncn2C ZINC001038429864 822593738 /nfs/dbraw/zinc/59/37/38/822593738.db2.gz KILUSGVDAJXMTH-ZDUSSCGKSA-N 1 2 282.347 1.011 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)ncn2C ZINC001038429864 822593752 /nfs/dbraw/zinc/59/37/52/822593752.db2.gz KILUSGVDAJXMTH-ZDUSSCGKSA-N 1 2 282.347 1.011 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3c2O[C@H](C)C3)C1 ZINC001030694276 822597232 /nfs/dbraw/zinc/59/72/32/822597232.db2.gz HYEVWHJGUVAHQE-GFCCVEGCSA-N 1 2 284.359 1.447 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCO1)O2 ZINC001053564561 822613234 /nfs/dbraw/zinc/61/32/34/822613234.db2.gz CUSAXHGNACVTSO-ZIAGYGMSSA-N 1 2 294.395 1.091 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3CC[C@@H](N(C)CC#N)C3)ccn12 ZINC000971537318 822613452 /nfs/dbraw/zinc/61/34/52/822613452.db2.gz KJPQOVXIMRCTBP-CQSZACIVSA-N 1 2 297.362 1.313 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H](O)C(C)C)C1CC1 ZINC001404232323 977375055 /nfs/dbraw/zinc/37/50/55/977375055.db2.gz ZTVHDVMBLUQHMM-GFCCVEGCSA-N 1 2 274.792 1.336 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H](O)C(C)C)C1CC1 ZINC001404232323 977375058 /nfs/dbraw/zinc/37/50/58/977375058.db2.gz ZTVHDVMBLUQHMM-GFCCVEGCSA-N 1 2 274.792 1.336 20 30 CDEDLO Nc1cccc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)n1 ZINC001233369169 912793862 /nfs/dbraw/zinc/79/38/62/912793862.db2.gz CMOFFDJUHTXPCN-NSHDSACASA-N 1 2 261.350 1.438 20 30 CDEDLO Nc1cccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)n1 ZINC001233369169 912793871 /nfs/dbraw/zinc/79/38/71/912793871.db2.gz CMOFFDJUHTXPCN-NSHDSACASA-N 1 2 261.350 1.438 20 30 CDEDLO C#Cc1cc(Nc2cnc(OC)c(OC)c2)cc[nH+]1 ZINC001174545565 913228343 /nfs/dbraw/zinc/22/83/43/913228343.db2.gz OECQVSRWYHHLPD-UHFFFAOYSA-N 1 2 255.277 1.641 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCO[C@@H](CCC)C2)C1 ZINC001031155244 913776953 /nfs/dbraw/zinc/77/69/53/913776953.db2.gz IFCODZOSZYZEHA-ZFWWWQNUSA-N 1 2 280.412 1.958 20 30 CDEDLO C=CCCC[N@H+]1C[C@](O)(C(F)(F)F)C[C@@H]1C(=O)OC ZINC001209157474 894509065 /nfs/dbraw/zinc/50/90/65/894509065.db2.gz WLAVDMRRWJZXAZ-KOLCDFICSA-N 1 2 281.274 1.493 20 30 CDEDLO C=CCCC[N@@H+]1C[C@](O)(C(F)(F)F)C[C@@H]1C(=O)OC ZINC001209157474 894509078 /nfs/dbraw/zinc/50/90/78/894509078.db2.gz WLAVDMRRWJZXAZ-KOLCDFICSA-N 1 2 281.274 1.493 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cn(C)cn2)[C@@H]1C ZINC000993201376 914034906 /nfs/dbraw/zinc/03/49/06/914034906.db2.gz RGOYXYBKZFYTSU-RYUDHWBXSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn(C)cn2)[C@@H]1C ZINC000993201376 914034924 /nfs/dbraw/zinc/03/49/24/914034924.db2.gz RGOYXYBKZFYTSU-RYUDHWBXSA-N 1 2 296.802 1.755 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(F)c(F)cc2OC)CC1 ZINC001143400416 896147819 /nfs/dbraw/zinc/14/78/19/896147819.db2.gz VADUDNYGQXPVOH-UHFFFAOYSA-N 1 2 280.318 1.724 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccnn1C ZINC001024360757 898044624 /nfs/dbraw/zinc/04/46/24/898044624.db2.gz WPBOXGFZCZJDMU-LBPRGKRZSA-N 1 2 296.802 1.757 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccnn1C ZINC001024360757 898044641 /nfs/dbraw/zinc/04/46/41/898044641.db2.gz WPBOXGFZCZJDMU-LBPRGKRZSA-N 1 2 296.802 1.757 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C ZINC001025659880 899137616 /nfs/dbraw/zinc/13/76/16/899137616.db2.gz GBBUGACBMHHCBC-KICMGLQKSA-N 1 2 299.212 1.597 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C ZINC001025659880 899137623 /nfs/dbraw/zinc/13/76/23/899137623.db2.gz GBBUGACBMHHCBC-KICMGLQKSA-N 1 2 299.212 1.597 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@H](C)OC)C1 ZINC001267677268 899245319 /nfs/dbraw/zinc/24/53/19/899245319.db2.gz ZXVHQSQOCXCOJS-JTQLQIEISA-N 1 2 260.765 1.212 20 30 CDEDLO CC(=O)/C=C(/C)NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176971863 914408427 /nfs/dbraw/zinc/40/84/27/914408427.db2.gz YVYKSCCOLFMFSG-HCYCVZQXSA-N 1 2 287.363 1.907 20 30 CDEDLO Cc1nccnc1C[N@@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC000981125616 901177482 /nfs/dbraw/zinc/17/74/82/901177482.db2.gz HBYJDUKZMVEMDL-UHFFFAOYSA-N 1 2 298.390 1.233 20 30 CDEDLO Cc1nccnc1C[N@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC000981125616 901177487 /nfs/dbraw/zinc/17/74/87/901177487.db2.gz HBYJDUKZMVEMDL-UHFFFAOYSA-N 1 2 298.390 1.233 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1nn(C)c2ccccc21 ZINC001038942091 901692765 /nfs/dbraw/zinc/69/27/65/901692765.db2.gz QQLDTJSBBFCMRC-GFCCVEGCSA-N 1 2 282.347 1.011 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nn(C)c2ccccc21 ZINC001038942091 901692771 /nfs/dbraw/zinc/69/27/71/901692771.db2.gz QQLDTJSBBFCMRC-GFCCVEGCSA-N 1 2 282.347 1.011 20 30 CDEDLO CO/N=C(\C(=O)NCCc1[nH]cc(C)[nH+]1)c1ccco1 ZINC001177353986 914636732 /nfs/dbraw/zinc/63/67/32/914636732.db2.gz XYFPLRXABHBKLW-ATVHPVEESA-N 1 2 276.296 1.021 20 30 CDEDLO C[N@@H+]1CCC12CN(C(=O)C#Cc1ccc(F)cc1F)C2 ZINC001270929456 905456140 /nfs/dbraw/zinc/45/61/40/905456140.db2.gz OUQYUPWZBWABDR-UHFFFAOYSA-N 1 2 276.286 1.233 20 30 CDEDLO C[N@H+]1CCC12CN(C(=O)C#Cc1ccc(F)cc1F)C2 ZINC001270929456 905456149 /nfs/dbraw/zinc/45/61/49/905456149.db2.gz OUQYUPWZBWABDR-UHFFFAOYSA-N 1 2 276.286 1.233 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001128404917 921296208 /nfs/dbraw/zinc/29/62/08/921296208.db2.gz JPJLSIQYTCTYKN-UHFFFAOYSA-N 1 2 294.399 1.929 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2nc(C)no2)C1 ZINC001189269918 921416806 /nfs/dbraw/zinc/41/68/06/921416806.db2.gz MSDMQWHAIHKPOR-AAEUAGOBSA-N 1 2 292.383 1.938 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2nc(C)no2)C1 ZINC001189269918 921416813 /nfs/dbraw/zinc/41/68/13/921416813.db2.gz MSDMQWHAIHKPOR-AAEUAGOBSA-N 1 2 292.383 1.938 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccncc2)CC1 ZINC001204081689 911107951 /nfs/dbraw/zinc/10/79/51/911107951.db2.gz HVYPNZFQCLPLBU-UHFFFAOYSA-N 1 2 259.309 1.360 20 30 CDEDLO C#Cc1cc(Nc2ccc(C[NH+]3CC(O)C3)cc2)ccn1 ZINC001212664554 911724824 /nfs/dbraw/zinc/72/48/24/911724824.db2.gz SGMJUQKMBGIQAR-UHFFFAOYSA-N 1 2 279.343 1.405 20 30 CDEDLO N#Cc1ccc(Nc2ccc(C[NH+]3CC(O)C3)cc2)cn1 ZINC001212665380 911730792 /nfs/dbraw/zinc/73/07/92/911730792.db2.gz LDSCPVFTSNLJMS-UHFFFAOYSA-N 1 2 280.331 1.873 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001030500153 911938378 /nfs/dbraw/zinc/93/83/78/911938378.db2.gz JEPSLPFIUVFLMY-UHFFFAOYSA-N 1 2 268.320 1.000 20 30 CDEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)OC)CC1)C(=O)OC ZINC001172798986 912016117 /nfs/dbraw/zinc/01/61/17/912016117.db2.gz OFINNGDWMUQSFP-UPJWGTAASA-N 1 2 281.352 1.263 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccon2)C1 ZINC001189917517 921723503 /nfs/dbraw/zinc/72/35/03/921723503.db2.gz HNSKTLFCKVAYBC-DZGCQCFKSA-N 1 2 293.367 1.034 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccon2)C1 ZINC001189917517 921723516 /nfs/dbraw/zinc/72/35/16/921723516.db2.gz HNSKTLFCKVAYBC-DZGCQCFKSA-N 1 2 293.367 1.034 20 30 CDEDLO O=C(C#Cc1cccnc1)N1CCC(n2cc[nH+]c2)CC1 ZINC001177777640 914889488 /nfs/dbraw/zinc/88/94/88/914889488.db2.gz VBZIBFSXIBOCLE-UHFFFAOYSA-N 1 2 280.331 1.493 20 30 CDEDLO C#CCCC1(CCNC(=O)CCc2[nH]cc[nH+]2)N=N1 ZINC001178000823 915087797 /nfs/dbraw/zinc/08/77/97/915087797.db2.gz HFDAZXPYUHIFGG-UHFFFAOYSA-N 1 2 259.313 1.424 20 30 CDEDLO N#Cc1ccnc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC001178100030 915164972 /nfs/dbraw/zinc/16/49/72/915164972.db2.gz AUFIDTSFOPHEIH-LLVKDONJSA-N 1 2 267.292 1.351 20 30 CDEDLO O=C(/C=C/NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(F)(F)F ZINC001178119338 915184947 /nfs/dbraw/zinc/18/49/47/915184947.db2.gz PDIMJOJDGFCDEZ-MPJRPATESA-N 1 2 287.241 1.207 20 30 CDEDLO CC(C)C#CC(=O)N1CC[C@@H]([N@H+](C)Cc2nccs2)C1 ZINC001190047097 921809983 /nfs/dbraw/zinc/80/99/83/921809983.db2.gz NZNAIDGLFMQKDS-CYBMUJFWSA-N 1 2 291.420 1.835 20 30 CDEDLO CC(C)C#CC(=O)N1CC[C@@H]([N@@H+](C)Cc2nccs2)C1 ZINC001190047097 921809987 /nfs/dbraw/zinc/80/99/87/921809987.db2.gz NZNAIDGLFMQKDS-CYBMUJFWSA-N 1 2 291.420 1.835 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001124488789 936319979 /nfs/dbraw/zinc/31/99/79/936319979.db2.gz UVPACMXQQXGHMJ-GHMZBOCLSA-N 1 2 296.371 1.126 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001179895628 916033104 /nfs/dbraw/zinc/03/31/04/916033104.db2.gz LTEJXGSJIVXHBL-GHMZBOCLSA-N 1 2 271.311 1.478 20 30 CDEDLO C=CCCC(=O)NC[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001097716689 936342110 /nfs/dbraw/zinc/34/21/10/936342110.db2.gz YMNGVUCZYPZHTD-SNVBAGLBSA-N 1 2 288.355 1.246 20 30 CDEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC001180755433 916605396 /nfs/dbraw/zinc/60/53/96/916605396.db2.gz GMGKFJJKPWJCHD-LBPRGKRZSA-N 1 2 290.367 1.384 20 30 CDEDLO C[N@H+]1CCO[C@H](C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC001180755433 916605405 /nfs/dbraw/zinc/60/54/05/916605405.db2.gz GMGKFJJKPWJCHD-LBPRGKRZSA-N 1 2 290.367 1.384 20 30 CDEDLO Cc1nc(N[C@H](C)CNC(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001097761099 936366152 /nfs/dbraw/zinc/36/61/52/936366152.db2.gz YTDFTGNEJRGUGU-SECBINFHSA-N 1 2 284.323 1.215 20 30 CDEDLO COCc1noc([C@H](C)O[NH+]=C(N)Cc2ccccc2)n1 ZINC000182912689 917364872 /nfs/dbraw/zinc/36/48/72/917364872.db2.gz QXBYEOHMNHYBJK-JTQLQIEISA-N 1 2 290.323 1.809 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CC1CCCC1)CO2 ZINC001053726408 936418607 /nfs/dbraw/zinc/41/86/07/936418607.db2.gz GSUIZGHZTIJHDD-OAHLLOKOSA-N 1 2 290.407 1.550 20 30 CDEDLO C=CCOC(=O)N1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137841368 936420026 /nfs/dbraw/zinc/42/00/26/936420026.db2.gz BVRQFNNWWIGVPF-UHFFFAOYSA-N 1 2 294.326 1.972 20 30 CDEDLO C=CCO[C@@H](C)C(=O)NC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001097920156 936426155 /nfs/dbraw/zinc/42/61/55/936426155.db2.gz SLLJHQUHRAVSKD-QWRGUYRKSA-N 1 2 278.356 1.293 20 30 CDEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccn(C)n1 ZINC001272734321 917732014 /nfs/dbraw/zinc/73/20/14/917732014.db2.gz VSAVQAAHBFQDBQ-INIZCTEOSA-N 1 2 286.379 1.010 20 30 CDEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccn(C)n1 ZINC001272734321 917732028 /nfs/dbraw/zinc/73/20/28/917732028.db2.gz VSAVQAAHBFQDBQ-INIZCTEOSA-N 1 2 286.379 1.010 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NC/C=C/CNc1cc[nH+]c(C)n1 ZINC001107148412 918213741 /nfs/dbraw/zinc/21/37/41/918213741.db2.gz JCGMOVQROGJRPU-NFAHFFEMSA-N 1 2 290.367 1.196 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001077593114 918394007 /nfs/dbraw/zinc/39/40/07/918394007.db2.gz ZHCMQAINSWKVHN-HZPDHXFCSA-N 1 2 286.375 1.047 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001077593114 918394021 /nfs/dbraw/zinc/39/40/21/918394021.db2.gz ZHCMQAINSWKVHN-HZPDHXFCSA-N 1 2 286.375 1.047 20 30 CDEDLO N#Cc1ccccc1C1(C(=O)NCCn2cc[nH+]c2)CC1 ZINC001183285753 918436339 /nfs/dbraw/zinc/43/63/39/918436339.db2.gz JHCOFFUCXVQQTC-UHFFFAOYSA-N 1 2 280.331 1.603 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2CCCC2)C1 ZINC001107682863 918610585 /nfs/dbraw/zinc/61/05/85/918610585.db2.gz ZNCOFORQDUMQRW-MRXNPFEDSA-N 1 2 278.396 1.407 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2CCCC2)C1 ZINC001107682863 918610598 /nfs/dbraw/zinc/61/05/98/918610598.db2.gz ZNCOFORQDUMQRW-MRXNPFEDSA-N 1 2 278.396 1.407 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)/C=C/c2ccco2)C1 ZINC001107698335 918635529 /nfs/dbraw/zinc/63/55/29/918635529.db2.gz OOVORTMIKHPLCX-FYCOFBDGSA-N 1 2 290.363 1.686 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)/C=C/c2ccco2)C1 ZINC001107698335 918635541 /nfs/dbraw/zinc/63/55/41/918635541.db2.gz OOVORTMIKHPLCX-FYCOFBDGSA-N 1 2 290.363 1.686 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[C@H]2CCCO2)C1 ZINC001107757384 918743184 /nfs/dbraw/zinc/74/31/84/918743184.db2.gz LWATZFWKYONPSP-ZBFHGGJFSA-N 1 2 296.411 1.339 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CC[C@H]2CCCO2)C1 ZINC001107757384 918743189 /nfs/dbraw/zinc/74/31/89/918743189.db2.gz LWATZFWKYONPSP-ZBFHGGJFSA-N 1 2 296.411 1.339 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001077781230 919040354 /nfs/dbraw/zinc/04/03/54/919040354.db2.gz FOYZTOPYYLQOQF-GHMZBOCLSA-N 1 2 298.795 1.200 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001077781230 919040366 /nfs/dbraw/zinc/04/03/66/919040366.db2.gz FOYZTOPYYLQOQF-GHMZBOCLSA-N 1 2 298.795 1.200 20 30 CDEDLO C=CCCC(=O)O[C@@H](COC)C[N@@H+]1CCO[C@H](C)C1 ZINC000842972516 919107417 /nfs/dbraw/zinc/10/74/17/919107417.db2.gz XPSLPVZWQCAWIR-CHWSQXEVSA-N 1 2 271.357 1.232 20 30 CDEDLO C=CCCC(=O)O[C@@H](COC)C[N@H+]1CCO[C@H](C)C1 ZINC000842972516 919107431 /nfs/dbraw/zinc/10/74/31/919107431.db2.gz XPSLPVZWQCAWIR-CHWSQXEVSA-N 1 2 271.357 1.232 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(OCCO)cc2)C1 ZINC001138797921 936569596 /nfs/dbraw/zinc/56/95/96/936569596.db2.gz KCMGADYWDPUCBV-AWEZNQCLSA-N 1 2 260.337 1.793 20 30 CDEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(OCCO)cc2)C1 ZINC001138797921 936569597 /nfs/dbraw/zinc/56/95/97/936569597.db2.gz KCMGADYWDPUCBV-AWEZNQCLSA-N 1 2 260.337 1.793 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ncco1 ZINC001272802244 919320346 /nfs/dbraw/zinc/32/03/46/919320346.db2.gz LIQNNGWYBLEJIZ-OAHLLOKOSA-N 1 2 273.336 1.265 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ncco1 ZINC001272802244 919320360 /nfs/dbraw/zinc/32/03/60/919320360.db2.gz LIQNNGWYBLEJIZ-OAHLLOKOSA-N 1 2 273.336 1.265 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccccc1COC ZINC001032679327 919707498 /nfs/dbraw/zinc/70/74/98/919707498.db2.gz KZVYHKAHIXUALH-IRXDYDNUSA-N 1 2 298.386 1.294 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccccc1COC ZINC001032679327 919707504 /nfs/dbraw/zinc/70/75/04/919707504.db2.gz KZVYHKAHIXUALH-IRXDYDNUSA-N 1 2 298.386 1.294 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)n1 ZINC001110368614 919740380 /nfs/dbraw/zinc/74/03/80/919740380.db2.gz HADFPNDIVSZARK-KFWWJZLASA-N 1 2 288.395 1.608 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(C)n1 ZINC001110368614 919740392 /nfs/dbraw/zinc/74/03/92/919740392.db2.gz HADFPNDIVSZARK-KFWWJZLASA-N 1 2 288.395 1.608 20 30 CDEDLO COc1ncc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(OC)n1 ZINC001139235215 936610995 /nfs/dbraw/zinc/61/09/95/936610995.db2.gz UOYRSXXYBSSJGG-UOJUARBOSA-N 1 2 288.351 1.760 20 30 CDEDLO COc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(OC)n1 ZINC001139235215 936610996 /nfs/dbraw/zinc/61/09/96/936610996.db2.gz UOYRSXXYBSSJGG-UOJUARBOSA-N 1 2 288.351 1.760 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)C2CCC2)C1 ZINC001108018777 919972277 /nfs/dbraw/zinc/97/22/77/919972277.db2.gz SCGGZAZQNHFPAT-CJNGLKHVSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)C2CCC2)C1 ZINC001108018777 919972285 /nfs/dbraw/zinc/97/22/85/919972285.db2.gz SCGGZAZQNHFPAT-CJNGLKHVSA-N 1 2 280.412 1.816 20 30 CDEDLO COC(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001139527059 936626812 /nfs/dbraw/zinc/62/68/12/936626812.db2.gz VAXDULPPNQVOLP-UHFFFAOYSA-N 1 2 291.326 1.971 20 30 CDEDLO COC(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001139527059 936626814 /nfs/dbraw/zinc/62/68/14/936626814.db2.gz VAXDULPPNQVOLP-UHFFFAOYSA-N 1 2 291.326 1.971 20 30 CDEDLO COC(=O)C[N@H+](C)Cc1c[nH]c2c1cccc2C#N ZINC001139706284 936638474 /nfs/dbraw/zinc/63/84/74/936638474.db2.gz PVOXJIUKKUBYRC-UHFFFAOYSA-N 1 2 257.293 1.644 20 30 CDEDLO COC(=O)C[N@@H+](C)Cc1c[nH]c2c1cccc2C#N ZINC001139706284 936638475 /nfs/dbraw/zinc/63/84/75/936638475.db2.gz PVOXJIUKKUBYRC-UHFFFAOYSA-N 1 2 257.293 1.644 20 30 CDEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3C[C@@H]3C)c2C1 ZINC001069852519 936645167 /nfs/dbraw/zinc/64/51/67/936645167.db2.gz VEKLMUWXQOOXCH-JSGCOSHPSA-N 1 2 288.395 1.547 20 30 CDEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3C[C@@H]3C)c2C1 ZINC001069852519 936645169 /nfs/dbraw/zinc/64/51/69/936645169.db2.gz VEKLMUWXQOOXCH-JSGCOSHPSA-N 1 2 288.395 1.547 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nnc(C)o3)C[C@H]21 ZINC001187191152 920400003 /nfs/dbraw/zinc/40/00/03/920400003.db2.gz HCQZVSJXBYWZJE-QWHCGFSZSA-N 1 2 290.367 1.377 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](Cc3nnc(C)o3)C[C@H]21 ZINC001187191152 920400006 /nfs/dbraw/zinc/40/00/06/920400006.db2.gz HCQZVSJXBYWZJE-QWHCGFSZSA-N 1 2 290.367 1.377 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc3cnn(C)c3c2)CC1 ZINC001139907124 936656652 /nfs/dbraw/zinc/65/66/52/936656652.db2.gz DYNCOMLQPGRYHW-UHFFFAOYSA-N 1 2 268.364 1.324 20 30 CDEDLO C=C[C@@H](CO)NC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190105978 921827897 /nfs/dbraw/zinc/82/78/97/921827897.db2.gz CEDAWIKBAFVUHS-NSHDSACASA-N 1 2 257.293 1.149 20 30 CDEDLO C#C[C@H]([NH2+]Cc1cn(-c2ccccc2)nn1)[C@@H]1CCCO1 ZINC000775347495 921831544 /nfs/dbraw/zinc/83/15/44/921831544.db2.gz GZUSCXPZMHIBNF-HOTGVXAUSA-N 1 2 282.347 1.538 20 30 CDEDLO C#CC[NH2+][C@H]1CCN(C(=O)C(F)C(F)(F)F)[C@H]1C ZINC001074661806 936738939 /nfs/dbraw/zinc/73/89/39/936738939.db2.gz MJORBILQPVJMMG-CIUDSAMLSA-N 1 2 266.238 1.099 20 30 CDEDLO C#CC[NH2+][C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)[C@H]1C ZINC001074661806 936738940 /nfs/dbraw/zinc/73/89/40/936738940.db2.gz MJORBILQPVJMMG-CIUDSAMLSA-N 1 2 266.238 1.099 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255705041 936754679 /nfs/dbraw/zinc/75/46/79/936754679.db2.gz IIPKJLULVRTJHX-HBNTYKKESA-N 1 2 261.291 1.905 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2=CCCC2)[C@@H](O)C1 ZINC001090170620 922424434 /nfs/dbraw/zinc/42/44/34/922424434.db2.gz MMSCIYDNMNLSMD-OLZOCXBDSA-N 1 2 284.787 1.401 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2=CCCC2)[C@@H](O)C1 ZINC001090170620 922424442 /nfs/dbraw/zinc/42/44/42/922424442.db2.gz MMSCIYDNMNLSMD-OLZOCXBDSA-N 1 2 284.787 1.401 20 30 CDEDLO CC#CC[N@@H+]1CCCC[C@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001034143956 922515001 /nfs/dbraw/zinc/51/50/01/922515001.db2.gz YFOUSJMREXKOES-AWEZNQCLSA-N 1 2 288.395 1.634 20 30 CDEDLO CC#CC[N@H+]1CCCC[C@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001034143956 922515017 /nfs/dbraw/zinc/51/50/17/922515017.db2.gz YFOUSJMREXKOES-AWEZNQCLSA-N 1 2 288.395 1.634 20 30 CDEDLO Cc1nc(N[C@H](C)CCNC(=O)C#CC(C)C)cc[nH+]1 ZINC001099064052 936777861 /nfs/dbraw/zinc/77/78/61/936777861.db2.gz LOLIZEKOTKSNTL-GFCCVEGCSA-N 1 2 274.368 1.751 20 30 CDEDLO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1cnc[nH]1 ZINC001099245104 936783711 /nfs/dbraw/zinc/78/37/11/936783711.db2.gz HACBLQGXZZDWAL-CQSZACIVSA-N 1 2 288.395 1.192 20 30 CDEDLO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1cnc[nH]1 ZINC001099245104 936783713 /nfs/dbraw/zinc/78/37/13/936783713.db2.gz HACBLQGXZZDWAL-CQSZACIVSA-N 1 2 288.395 1.192 20 30 CDEDLO N#Cc1nccnc1NCc1ccc2[nH+]ccn2c1 ZINC001163136194 923336757 /nfs/dbraw/zinc/33/67/57/923336757.db2.gz BFAZRHDQSNGEGI-UHFFFAOYSA-N 1 2 250.265 1.608 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC(C)(F)F)[C@@H](O)C1 ZINC001099991831 936830066 /nfs/dbraw/zinc/83/00/66/936830066.db2.gz QJIGGRMXYZAVGS-ZJUUUORDSA-N 1 2 296.745 1.336 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC(C)(F)F)[C@@H](O)C1 ZINC001099991831 936830069 /nfs/dbraw/zinc/83/00/69/936830069.db2.gz QJIGGRMXYZAVGS-ZJUUUORDSA-N 1 2 296.745 1.336 20 30 CDEDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cccc(C#N)c1O ZINC001193642758 923827742 /nfs/dbraw/zinc/82/77/42/923827742.db2.gz OVCKYQMVWZNORD-WDEREUQCSA-N 1 2 273.336 1.428 20 30 CDEDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cccc(C#N)c1O ZINC001193642758 923827747 /nfs/dbraw/zinc/82/77/47/923827747.db2.gz OVCKYQMVWZNORD-WDEREUQCSA-N 1 2 273.336 1.428 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(C)c2)C1 ZINC001079401913 924300800 /nfs/dbraw/zinc/30/08/00/924300800.db2.gz QNFMAOOTMWOVLR-BXKDBHETSA-N 1 2 282.775 1.223 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(C)c2)C1 ZINC001079401913 924300807 /nfs/dbraw/zinc/30/08/07/924300807.db2.gz QNFMAOOTMWOVLR-BXKDBHETSA-N 1 2 282.775 1.223 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cc(C)n[nH]2)C1 ZINC001079559333 924361558 /nfs/dbraw/zinc/36/15/58/924361558.db2.gz GLADTJRZLBTQNQ-NOZJJQNGSA-N 1 2 296.802 1.450 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cc(C)n[nH]2)C1 ZINC001079559333 924361571 /nfs/dbraw/zinc/36/15/71/924361571.db2.gz GLADTJRZLBTQNQ-NOZJJQNGSA-N 1 2 296.802 1.450 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cc(C)[nH]n2)C1 ZINC001079559333 924361580 /nfs/dbraw/zinc/36/15/80/924361580.db2.gz GLADTJRZLBTQNQ-NOZJJQNGSA-N 1 2 296.802 1.450 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cc(C)[nH]n2)C1 ZINC001079559333 924361590 /nfs/dbraw/zinc/36/15/90/924361590.db2.gz GLADTJRZLBTQNQ-NOZJJQNGSA-N 1 2 296.802 1.450 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cncs2)C1 ZINC001079905639 924446203 /nfs/dbraw/zinc/44/62/03/924446203.db2.gz CWTUYBXQSZUKKO-BXKDBHETSA-N 1 2 299.827 1.875 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cncs2)C1 ZINC001079905639 924446206 /nfs/dbraw/zinc/44/62/06/924446206.db2.gz CWTUYBXQSZUKKO-BXKDBHETSA-N 1 2 299.827 1.875 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001080925878 924659583 /nfs/dbraw/zinc/65/95/83/924659583.db2.gz PKYCHWVPZRRDHJ-IAQYHMDHSA-N 1 2 297.362 1.031 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001080925878 924659588 /nfs/dbraw/zinc/65/95/88/924659588.db2.gz PKYCHWVPZRRDHJ-IAQYHMDHSA-N 1 2 297.362 1.031 20 30 CDEDLO Cc1cc(C(F)(F)N2CC[NH2+]C[C@H]2C#N)nc(Cl)n1 ZINC001164642282 924961851 /nfs/dbraw/zinc/96/18/51/924961851.db2.gz UEGINIHGSNPGAI-MRVPVSSYSA-N 1 2 287.701 1.285 20 30 CDEDLO C=CCCCC(=O)N1CCC[N@H+](CC(=O)NC2CC2)CC1 ZINC001196984427 925026630 /nfs/dbraw/zinc/02/66/30/925026630.db2.gz CYTHWQVGAPGUTG-UHFFFAOYSA-N 1 2 293.411 1.156 20 30 CDEDLO C=CCCCC(=O)N1CCC[N@@H+](CC(=O)NC2CC2)CC1 ZINC001196984427 925026637 /nfs/dbraw/zinc/02/66/37/925026637.db2.gz CYTHWQVGAPGUTG-UHFFFAOYSA-N 1 2 293.411 1.156 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1ncc(Cl)n1C)[C@@H]1CCCO1 ZINC000775783922 925196606 /nfs/dbraw/zinc/19/66/06/925196606.db2.gz FNKMXEJFFRUBOH-ZJUUUORDSA-N 1 2 253.733 1.344 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3cncs3)C[C@H]21 ZINC001084237003 925201025 /nfs/dbraw/zinc/20/10/25/925201025.db2.gz YJJNJQUMGGXPFH-NQBHXWOUSA-N 1 2 290.392 1.335 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3cncs3)C[C@H]21 ZINC001084237003 925201030 /nfs/dbraw/zinc/20/10/30/925201030.db2.gz YJJNJQUMGGXPFH-NQBHXWOUSA-N 1 2 290.392 1.335 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)CC(C)C)c1nccn12 ZINC001101605624 936994044 /nfs/dbraw/zinc/99/40/44/936994044.db2.gz AZLWUMIXNCKBQS-CYBMUJFWSA-N 1 2 288.395 1.687 20 30 CDEDLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)[nH]1 ZINC000826784915 925917684 /nfs/dbraw/zinc/91/76/84/925917684.db2.gz IOVUMIPWAJEYRK-MRVPVSSYSA-N 1 2 259.288 1.975 20 30 CDEDLO CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085445492 925973384 /nfs/dbraw/zinc/97/33/84/925973384.db2.gz HXYVARQETGOJHJ-NSHDSACASA-N 1 2 263.366 1.672 20 30 CDEDLO CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085445492 925973394 /nfs/dbraw/zinc/97/33/94/925973394.db2.gz HXYVARQETGOJHJ-NSHDSACASA-N 1 2 263.366 1.672 20 30 CDEDLO CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccccc1C#N ZINC001085445964 925975995 /nfs/dbraw/zinc/97/59/95/925975995.db2.gz SLVPEQPDEOFQBV-OAHLLOKOSA-N 1 2 257.337 1.611 20 30 CDEDLO CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccccc1C#N ZINC001085445964 925976001 /nfs/dbraw/zinc/97/60/01/925976001.db2.gz SLVPEQPDEOFQBV-OAHLLOKOSA-N 1 2 257.337 1.611 20 30 CDEDLO CC(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001085446222 925976733 /nfs/dbraw/zinc/97/67/33/925976733.db2.gz YOHIACDMPFVBML-MRXNPFEDSA-N 1 2 274.339 1.730 20 30 CDEDLO CC(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001085446222 925976740 /nfs/dbraw/zinc/97/67/40/925976740.db2.gz YOHIACDMPFVBML-MRXNPFEDSA-N 1 2 274.339 1.730 20 30 CDEDLO Cc1nc(N2CC[C@H](CCNC(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001102301577 937051251 /nfs/dbraw/zinc/05/12/51/937051251.db2.gz FZHOKHLSILVXDJ-AAEUAGOBSA-N 1 2 287.367 1.277 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(F)ccc1F ZINC001085641347 926241912 /nfs/dbraw/zinc/24/19/12/926241912.db2.gz JRWLGJRQGUDTRK-GFCCVEGCSA-N 1 2 278.302 1.744 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(F)ccc1F ZINC001085641347 926241916 /nfs/dbraw/zinc/24/19/16/926241916.db2.gz JRWLGJRQGUDTRK-GFCCVEGCSA-N 1 2 278.302 1.744 20 30 CDEDLO C=CCCC(=O)N(C)[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102683303 937077839 /nfs/dbraw/zinc/07/78/39/937077839.db2.gz AQGSTXMSXKCXPN-CYBMUJFWSA-N 1 2 274.368 1.788 20 30 CDEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2[C@@H](C)C(N)=O)CC1 ZINC001085800836 926410833 /nfs/dbraw/zinc/41/08/33/926410833.db2.gz CSIYGNFCZPCINL-GXTWGEPZSA-N 1 2 293.411 1.139 20 30 CDEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2[C@@H](C)C(N)=O)CC1 ZINC001085800836 926410837 /nfs/dbraw/zinc/41/08/37/926410837.db2.gz CSIYGNFCZPCINL-GXTWGEPZSA-N 1 2 293.411 1.139 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1conc1CC ZINC001085805726 926415815 /nfs/dbraw/zinc/41/58/15/926415815.db2.gz PBWHJKZFHSKIHN-GFCCVEGCSA-N 1 2 275.352 1.407 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1conc1CC ZINC001085805726 926415822 /nfs/dbraw/zinc/41/58/22/926415822.db2.gz PBWHJKZFHSKIHN-GFCCVEGCSA-N 1 2 275.352 1.407 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ocnc1C1CC1 ZINC001085816413 926421526 /nfs/dbraw/zinc/42/15/26/926421526.db2.gz WEOASGHILLFTJT-ZDUSSCGKSA-N 1 2 287.363 1.722 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ocnc1C1CC1 ZINC001085816413 926421529 /nfs/dbraw/zinc/42/15/29/926421529.db2.gz WEOASGHILLFTJT-ZDUSSCGKSA-N 1 2 287.363 1.722 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncoc1C1CC1 ZINC001085911818 926500807 /nfs/dbraw/zinc/50/08/07/926500807.db2.gz OUZILGNUFJZPML-ZDUSSCGKSA-N 1 2 287.363 1.722 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ncoc1C1CC1 ZINC001085911818 926500813 /nfs/dbraw/zinc/50/08/13/926500813.db2.gz OUZILGNUFJZPML-ZDUSSCGKSA-N 1 2 287.363 1.722 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)noc1CC ZINC001085966821 926550139 /nfs/dbraw/zinc/55/01/39/926550139.db2.gz UAYXBXHWNWDJTK-LBPRGKRZSA-N 1 2 275.352 1.325 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)noc1CC ZINC001085966821 926550147 /nfs/dbraw/zinc/55/01/47/926550147.db2.gz UAYXBXHWNWDJTK-LBPRGKRZSA-N 1 2 275.352 1.325 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)onc1CC ZINC001085967800 926553746 /nfs/dbraw/zinc/55/37/46/926553746.db2.gz VPNBRRZHPABOIN-GFCCVEGCSA-N 1 2 275.352 1.325 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)onc1CC ZINC001085967800 926553753 /nfs/dbraw/zinc/55/37/53/926553753.db2.gz VPNBRRZHPABOIN-GFCCVEGCSA-N 1 2 275.352 1.325 20 30 CDEDLO COC(=O)[C@@H]([NH3+])c1ccc(-c2ccc(C#N)nc2)cc1 ZINC001241434443 926927334 /nfs/dbraw/zinc/92/73/34/926927334.db2.gz UHXKFLPTAICTOM-AWEZNQCLSA-N 1 2 267.288 1.793 20 30 CDEDLO C[C@]1(CO)CC[N@H+](Cc2c(F)ccc(C#N)c2F)C[C@@H]1O ZINC001143164805 937127299 /nfs/dbraw/zinc/12/72/99/937127299.db2.gz OQHNBDDELZTRPZ-DZGCQCFKSA-N 1 2 296.317 1.402 20 30 CDEDLO C[C@]1(CO)CC[N@@H+](Cc2c(F)ccc(C#N)c2F)C[C@@H]1O ZINC001143164805 937127300 /nfs/dbraw/zinc/12/73/00/937127300.db2.gz OQHNBDDELZTRPZ-DZGCQCFKSA-N 1 2 296.317 1.402 20 30 CDEDLO COc1ccccc1Cn1c[nH+]cc1CNC(=O)CCC#N ZINC001143205165 937134916 /nfs/dbraw/zinc/13/49/16/937134916.db2.gz ODJSLBNMMQIWSA-UHFFFAOYSA-N 1 2 298.346 1.860 20 30 CDEDLO N#CC1(C(=O)N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)CC1 ZINC001143181754 937130378 /nfs/dbraw/zinc/13/03/78/937130378.db2.gz LQIJIINDCHJTII-LLVKDONJSA-N 1 2 283.322 1.622 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(CC)on2)C1 ZINC001108349218 927416218 /nfs/dbraw/zinc/41/62/18/927416218.db2.gz ACPSKHORUVPDQR-OAHLLOKOSA-N 1 2 293.367 1.244 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(CC)on2)C1 ZINC001108349218 927416225 /nfs/dbraw/zinc/41/62/25/927416225.db2.gz ACPSKHORUVPDQR-OAHLLOKOSA-N 1 2 293.367 1.244 20 30 CDEDLO N#CCc1cc(=[NH+]c2cccn(CC3CC3)c2=O)cc[nH]1 ZINC001169451169 928043739 /nfs/dbraw/zinc/04/37/39/928043739.db2.gz TUQWJDOABLQHCA-UHFFFAOYSA-N 1 2 280.331 1.885 20 30 CDEDLO Cc1nc(N(C)C[C@H](C)NC(=O)C#CC2CC2)cc[nH+]1 ZINC001108940930 928735126 /nfs/dbraw/zinc/73/51/26/928735126.db2.gz MDPUEYUFKMJRMK-NSHDSACASA-N 1 2 272.352 1.139 20 30 CDEDLO C=CCCC(=O)COC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000785732657 929169200 /nfs/dbraw/zinc/16/92/00/929169200.db2.gz OIFGKAWTLNVTSH-RYUDHWBXSA-N 1 2 253.342 1.938 20 30 CDEDLO C#CC[C@H](CCOC)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000863781091 929606876 /nfs/dbraw/zinc/60/68/76/929606876.db2.gz IZNLMNWTPNRTRF-JHJVBQTASA-N 1 2 275.352 1.068 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CC2CC3(CCC3)C2)nn1 ZINC000881426435 929842904 /nfs/dbraw/zinc/84/29/04/929842904.db2.gz HAPZYCSTEBRAIF-UHFFFAOYSA-N 1 2 258.369 1.971 20 30 CDEDLO C#CCCS(=O)(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817141265 930443447 /nfs/dbraw/zinc/44/34/47/930443447.db2.gz FYHQJBMYCJZOJR-UHFFFAOYSA-N 1 2 252.339 1.141 20 30 CDEDLO CNC(=S)N[NH+]=C1CCCCc2ccc(N)cc21 ZINC000817322247 930496455 /nfs/dbraw/zinc/49/64/55/930496455.db2.gz PCKXKIAHUGCWSB-UHFFFAOYSA-N 1 2 262.382 1.793 20 30 CDEDLO Cc1[nH]ncc1C[NH2+]CCNc1ncccc1C#N ZINC001116013626 937427861 /nfs/dbraw/zinc/42/78/61/937427861.db2.gz JWWJPYNTUYRTOA-UHFFFAOYSA-N 1 2 256.313 1.187 20 30 CDEDLO C=C[C@H](COC)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001116645037 937463372 /nfs/dbraw/zinc/46/33/72/937463372.db2.gz ZATQHWVCEFGLBZ-VXGBXAGGSA-N 1 2 278.356 1.500 20 30 CDEDLO C#CCCCCC[N@H+]1CCSC[C@@H]1C(=O)OC ZINC000887079589 931012499 /nfs/dbraw/zinc/01/24/99/931012499.db2.gz VJLXBIDQXMORKY-GFCCVEGCSA-N 1 2 255.383 1.770 20 30 CDEDLO C#CCCCCC[N@@H+]1CCSC[C@@H]1C(=O)OC ZINC000887079589 931012506 /nfs/dbraw/zinc/01/25/06/931012506.db2.gz VJLXBIDQXMORKY-GFCCVEGCSA-N 1 2 255.383 1.770 20 30 CDEDLO C=CCN1C(=O)COCC12C[NH+](CC1OC=CC1=S)C2 ZINC001274177875 931219456 /nfs/dbraw/zinc/21/94/56/931219456.db2.gz JSODNFPVNVIKAQ-UHFFFAOYSA-N 1 2 294.376 1.168 20 30 CDEDLO Cc1ccc(C#N)cc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000823628105 931334629 /nfs/dbraw/zinc/33/46/29/931334629.db2.gz RZDFMIQVLJAKHO-ZDUSSCGKSA-N 1 2 280.331 1.808 20 30 CDEDLO C=CCN1CC[NH+](Cc2ccc3[nH]cnc3c2)CC1 ZINC001137045512 931506813 /nfs/dbraw/zinc/50/68/13/931506813.db2.gz LHEXAWHPFSTYKP-UHFFFAOYSA-N 1 2 256.353 1.867 20 30 CDEDLO C=CCN1CC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC001137045512 931506815 /nfs/dbraw/zinc/50/68/15/931506815.db2.gz LHEXAWHPFSTYKP-UHFFFAOYSA-N 1 2 256.353 1.867 20 30 CDEDLO C#CCN1CC[C@@]2(CCCN2c2[nH+]cccc2C)C1=O ZINC001274692030 931548031 /nfs/dbraw/zinc/54/80/31/931548031.db2.gz ZCGWUYMZGDRGQF-INIZCTEOSA-N 1 2 269.348 1.595 20 30 CDEDLO C=CC[C@@H](C)C(=O)N1CCN(c2cc[nH+]c(OC)c2)CC1 ZINC001144019765 931628795 /nfs/dbraw/zinc/62/87/95/931628795.db2.gz FYBABMAUJQWUQV-CYBMUJFWSA-N 1 2 289.379 1.951 20 30 CDEDLO COC[C@H]1Cn2ccnc2C[N@H+](Cc2cncc(C#N)c2)C1 ZINC001144076080 931647807 /nfs/dbraw/zinc/64/78/07/931647807.db2.gz YDBOANJLRMDJPO-OAHLLOKOSA-N 1 2 297.362 1.428 20 30 CDEDLO COC[C@H]1Cn2ccnc2C[N@@H+](Cc2cncc(C#N)c2)C1 ZINC001144076080 931647810 /nfs/dbraw/zinc/64/78/10/931647810.db2.gz YDBOANJLRMDJPO-OAHLLOKOSA-N 1 2 297.362 1.428 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+]([C@@H](C)Cc2cccc(C#N)c2)CCO1 ZINC001171204111 931944991 /nfs/dbraw/zinc/94/49/91/931944991.db2.gz TZHHGKQWSMUHFX-SWLSCSKDSA-N 1 2 288.347 1.363 20 30 CDEDLO COC(=O)[C@H]1C[N@H+]([C@@H](C)Cc2cccc(C#N)c2)CCO1 ZINC001171204111 931944998 /nfs/dbraw/zinc/94/49/98/931944998.db2.gz TZHHGKQWSMUHFX-SWLSCSKDSA-N 1 2 288.347 1.363 20 30 CDEDLO N#Cc1cccc(NC(=O)c2cccc3[nH+]ccn32)n1 ZINC001154517161 937551501 /nfs/dbraw/zinc/55/15/01/937551501.db2.gz CTVDUUAKQMMZAW-UHFFFAOYSA-N 1 2 263.260 1.853 20 30 CDEDLO O=C(NC1=CC(=O)CCC1)c1cccc2[nH+]ccn21 ZINC001154525949 937553943 /nfs/dbraw/zinc/55/39/43/937553943.db2.gz FXGALIJGRCQIIL-UHFFFAOYSA-N 1 2 255.277 1.701 20 30 CDEDLO Cc1nnc2n1CC[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)C2 ZINC001171220457 932002263 /nfs/dbraw/zinc/00/22/63/932002263.db2.gz ADHYISCWWGMKRD-LBPRGKRZSA-N 1 2 281.363 1.905 20 30 CDEDLO Cc1nnc2n1CC[N@H+]([C@@H](C)Cc1cccc(C#N)c1)C2 ZINC001171220457 932002268 /nfs/dbraw/zinc/00/22/68/932002268.db2.gz ADHYISCWWGMKRD-LBPRGKRZSA-N 1 2 281.363 1.905 20 30 CDEDLO COC(=O)C1(CNc2cc(CC#N)cc[nH+]2)CCOCC1 ZINC001154677919 937576077 /nfs/dbraw/zinc/57/60/77/937576077.db2.gz ROBHYNDCTHHYTI-UHFFFAOYSA-N 1 2 289.335 1.529 20 30 CDEDLO CC(C)C#CC(=O)N1CC2(C1)CC[N@H+](Cc1ccon1)C2 ZINC001147499209 932523691 /nfs/dbraw/zinc/52/36/91/932523691.db2.gz QAJXTYDDHCWCQZ-UHFFFAOYSA-N 1 2 287.363 1.368 20 30 CDEDLO CC(C)C#CC(=O)N1CC2(C1)CC[N@@H+](Cc1ccon1)C2 ZINC001147499209 932523699 /nfs/dbraw/zinc/52/36/99/932523699.db2.gz QAJXTYDDHCWCQZ-UHFFFAOYSA-N 1 2 287.363 1.368 20 30 CDEDLO C=CCCSCCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001118726999 937658607 /nfs/dbraw/zinc/65/86/07/937658607.db2.gz WQGIFOLGHLPEIS-NSHDSACASA-N 1 2 253.371 1.870 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C#N)cc1 ZINC000928637009 933168558 /nfs/dbraw/zinc/16/85/58/933168558.db2.gz YQXIYDVXGPXYAJ-OAHLLOKOSA-N 1 2 287.363 1.399 20 30 CDEDLO C[C@H](c1ncccn1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000930543326 933396997 /nfs/dbraw/zinc/39/69/97/933396997.db2.gz SBGPQTXNRXYSRV-OCCSQVGLSA-N 1 2 295.346 1.958 20 30 CDEDLO C[C@H](c1ncccn1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000930543326 933397006 /nfs/dbraw/zinc/39/70/06/933397006.db2.gz SBGPQTXNRXYSRV-OCCSQVGLSA-N 1 2 295.346 1.958 20 30 CDEDLO C=CCN(C)c1nnnn1Cc1cc(C)[nH+]c(C)c1 ZINC001120244081 937788209 /nfs/dbraw/zinc/78/82/09/937788209.db2.gz PWMYSQPJRADWML-UHFFFAOYSA-N 1 2 258.329 1.355 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C[C@H]1CCCO1 ZINC001018324507 935664866 /nfs/dbraw/zinc/66/48/66/935664866.db2.gz HLCBBMYXMAXAKK-LVQVYYBASA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C[C@H]1CCCO1 ZINC001018324507 935664868 /nfs/dbraw/zinc/66/48/68/935664868.db2.gz HLCBBMYXMAXAKK-LVQVYYBASA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c[nH]cc1C1CC1 ZINC001038864098 935760398 /nfs/dbraw/zinc/76/03/98/935760398.db2.gz MVLMMXQCZBKLGC-LBPRGKRZSA-N 1 2 257.337 1.329 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]cc1C1CC1 ZINC001038864098 935760399 /nfs/dbraw/zinc/76/03/99/935760399.db2.gz MVLMMXQCZBKLGC-LBPRGKRZSA-N 1 2 257.337 1.329 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cncc3[nH]ccc32)C1 ZINC001043227397 935835355 /nfs/dbraw/zinc/83/53/55/935835355.db2.gz SYLBFHFRXNHNPE-UHFFFAOYSA-N 1 2 284.363 1.895 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCOC[C@H]2C)C1 ZINC001043786939 935844309 /nfs/dbraw/zinc/84/43/09/935844309.db2.gz GTOPRNXADGTFPN-OCCSQVGLSA-N 1 2 266.385 1.378 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccc(N(C)C)cc2)C1 ZINC001044228067 935854494 /nfs/dbraw/zinc/85/44/94/935854494.db2.gz DSUSUORBMGKWFE-UHFFFAOYSA-N 1 2 273.380 1.695 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)N(CCC#N)CC1CC1 ZINC001123556224 936179416 /nfs/dbraw/zinc/17/94/16/936179416.db2.gz DTFGFJWMCLZQTH-UHFFFAOYSA-N 1 2 260.341 1.505 20 30 CDEDLO C#Cc1cncc(C(=O)N2CCC(c3c[nH+]cn3C)CC2)c1 ZINC001124092846 936282860 /nfs/dbraw/zinc/28/28/60/936282860.db2.gz WGUAVWQVLSFIGG-UHFFFAOYSA-N 1 2 294.358 1.816 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1cc2c(Cl)ccnc2cn1 ZINC001156320083 938351372 /nfs/dbraw/zinc/35/13/72/938351372.db2.gz PVAURMMCEPJMCT-VIFPVBQESA-N 1 2 273.727 1.585 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)c1cccc2c(C#N)c[nH]c21 ZINC001157175708 938462551 /nfs/dbraw/zinc/46/25/51/938462551.db2.gz IUUUAKHLJCZOHH-UHFFFAOYSA-N 1 2 293.330 1.746 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2ncc(C)cc2C)CC1 ZINC001238437262 945180139 /nfs/dbraw/zinc/18/01/39/945180139.db2.gz LIBWFXNJWDGWQJ-UHFFFAOYSA-N 1 2 287.363 1.977 20 30 CDEDLO Cc1nc(N[C@@H]2CCC[N@@H+](C3COC3)C2)ccc1CC#N ZINC001157585278 938516142 /nfs/dbraw/zinc/51/61/42/938516142.db2.gz GCIKQKPVGRFOOY-CQSZACIVSA-N 1 2 286.379 1.731 20 30 CDEDLO Cc1nc(N[C@@H]2CCC[N@H+](C3COC3)C2)ccc1CC#N ZINC001157585278 938516146 /nfs/dbraw/zinc/51/61/46/938516146.db2.gz GCIKQKPVGRFOOY-CQSZACIVSA-N 1 2 286.379 1.731 20 30 CDEDLO CCCc1cc(N[C@@H]2C(=O)N(O)C[C@@H]2C)nc(C)[nH+]1 ZINC001160176086 938773868 /nfs/dbraw/zinc/77/38/68/938773868.db2.gz FHZAIKFGCOHJNH-UFBFGSQYSA-N 1 2 264.329 1.386 20 30 CDEDLO C=CCc1c(Cl)ncnc1NC[C@H]1C[N@H+](C)CCO1 ZINC001162680140 939113845 /nfs/dbraw/zinc/11/38/45/939113845.db2.gz GSIREWBVULDDAH-JTQLQIEISA-N 1 2 282.775 1.601 20 30 CDEDLO C=CCc1c(Cl)ncnc1NC[C@H]1C[N@@H+](C)CCO1 ZINC001162680140 939113849 /nfs/dbraw/zinc/11/38/49/939113849.db2.gz GSIREWBVULDDAH-JTQLQIEISA-N 1 2 282.775 1.601 20 30 CDEDLO C#CCCC1(CCNc2cc(-n3cncn3)nc(C)[nH+]2)N=N1 ZINC001163381471 939259321 /nfs/dbraw/zinc/25/93/21/939259321.db2.gz ZUVRPPGKFLSDEN-UHFFFAOYSA-N 1 2 296.338 1.743 20 30 CDEDLO CCc1cc(C[N@@H+]2CCO[C@@H](CO)C2)ccc1C#N ZINC001238759858 945242383 /nfs/dbraw/zinc/24/23/83/945242383.db2.gz AZGCYRSQGCMRQL-OAHLLOKOSA-N 1 2 260.337 1.314 20 30 CDEDLO CCc1cc(C[N@H+]2CCO[C@@H](CO)C2)ccc1C#N ZINC001238759858 945242387 /nfs/dbraw/zinc/24/23/87/945242387.db2.gz AZGCYRSQGCMRQL-OAHLLOKOSA-N 1 2 260.337 1.314 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2ncc(C#N)c3ccccc23)C[NH2+]1 ZINC001164302494 939449006 /nfs/dbraw/zinc/44/90/06/939449006.db2.gz VBGVYOLHRHKXTI-FZMZJTMJSA-N 1 2 296.330 1.422 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2cccc(F)c2CC#N)C[NH2+]1 ZINC001164312316 939451834 /nfs/dbraw/zinc/45/18/34/939451834.db2.gz OASLTCAVTZAGSJ-ZANVPECISA-N 1 2 277.299 1.207 20 30 CDEDLO COc1ccc2nc(N3CC[NH2+]C[C@H]3C#N)c(C)cc2c1 ZINC001164625092 939500451 /nfs/dbraw/zinc/50/04/51/939500451.db2.gz GTQWLVBZDVMBJA-CYBMUJFWSA-N 1 2 282.347 1.854 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@@H](F)Oc1ccnc(Cl)c1 ZINC001164641685 939501258 /nfs/dbraw/zinc/50/12/58/939501258.db2.gz NSTZHXKWOJXHOO-LDYMZIIASA-N 1 2 270.695 1.164 20 30 CDEDLO COc1ccc2c(ccnc2N2CC[NH2+]C[C@H]2C#N)c1 ZINC001164642100 939501568 /nfs/dbraw/zinc/50/15/68/939501568.db2.gz SMHHLJUXGYIIAM-GFCCVEGCSA-N 1 2 268.320 1.545 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@@H](F)Oc1cccc(Cl)n1 ZINC001164652953 939502560 /nfs/dbraw/zinc/50/25/60/939502560.db2.gz WDBUBBRVJRMBCO-LDYMZIIASA-N 1 2 270.695 1.164 20 30 CDEDLO Nc1ccccc1C(NO)=[NH+]c1cnn([C@H]2CCOC2)c1 ZINC001205205422 939835054 /nfs/dbraw/zinc/83/50/54/939835054.db2.gz OGXWUYVWMNTKMA-NSHDSACASA-N 1 2 287.323 1.484 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CO[C@H](C)CC)C1 ZINC001206878576 940106604 /nfs/dbraw/zinc/10/66/04/940106604.db2.gz SNXNJWIXBDGNAC-RAIGVLPGSA-N 1 2 288.819 1.991 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CO[C@H](C)CC)C1 ZINC001206878576 940106607 /nfs/dbraw/zinc/10/66/07/940106607.db2.gz SNXNJWIXBDGNAC-RAIGVLPGSA-N 1 2 288.819 1.991 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2coc(C)n2)C[C@H]1C ZINC001206913731 940110830 /nfs/dbraw/zinc/11/08/30/940110830.db2.gz VXXZUCPDFCMKSO-IUODEOHRSA-N 1 2 289.379 1.723 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2coc(C)n2)C[C@H]1C ZINC001206913731 940110832 /nfs/dbraw/zinc/11/08/32/940110832.db2.gz VXXZUCPDFCMKSO-IUODEOHRSA-N 1 2 289.379 1.723 20 30 CDEDLO Cc1cnc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC3CC3)C2)o1 ZINC001206948724 940116715 /nfs/dbraw/zinc/11/67/15/940116715.db2.gz YHAACOVQWOVTKT-BXUZGUMPSA-N 1 2 287.363 1.333 20 30 CDEDLO Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC3CC3)C2)o1 ZINC001206948724 940116717 /nfs/dbraw/zinc/11/67/17/940116717.db2.gz YHAACOVQWOVTKT-BXUZGUMPSA-N 1 2 287.363 1.333 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001207021746 940130355 /nfs/dbraw/zinc/13/03/55/940130355.db2.gz ANIKNYCZFXIXDH-BBBLOLIVSA-N 1 2 282.281 1.899 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001207021746 940130356 /nfs/dbraw/zinc/13/03/56/940130356.db2.gz ANIKNYCZFXIXDH-BBBLOLIVSA-N 1 2 282.281 1.899 20 30 CDEDLO C=CCN(CC[N@@H+]1CCc2nn(C)cc2C1)C(=O)OCC ZINC001209020865 940424870 /nfs/dbraw/zinc/42/48/70/940424870.db2.gz PITQTLPVAACOSD-UHFFFAOYSA-N 1 2 292.383 1.423 20 30 CDEDLO C=CCN(CC[N@H+]1CCc2nn(C)cc2C1)C(=O)OCC ZINC001209020865 940424871 /nfs/dbraw/zinc/42/48/71/940424871.db2.gz PITQTLPVAACOSD-UHFFFAOYSA-N 1 2 292.383 1.423 20 30 CDEDLO C=CCN1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC001209622613 940619272 /nfs/dbraw/zinc/61/92/72/940619272.db2.gz BEPRONNLSRYTSI-UHFFFAOYSA-N 1 2 286.423 1.985 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1O ZINC001219718682 941383617 /nfs/dbraw/zinc/38/36/17/941383617.db2.gz MWWMVMUUQBZOCW-OLZOCXBDSA-N 1 2 295.408 1.161 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1O ZINC001219718682 941383619 /nfs/dbraw/zinc/38/36/19/941383619.db2.gz MWWMVMUUQBZOCW-OLZOCXBDSA-N 1 2 295.408 1.161 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1O ZINC001219715878 941383624 /nfs/dbraw/zinc/38/36/24/941383624.db2.gz OZTWCSJNOPHALI-CABCVRRESA-N 1 2 289.379 1.099 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1O ZINC001219715878 941383626 /nfs/dbraw/zinc/38/36/26/941383626.db2.gz OZTWCSJNOPHALI-CABCVRRESA-N 1 2 289.379 1.099 20 30 CDEDLO Cc1cc(=O)c(C#N)c(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)[nH]1 ZINC001225468644 941864818 /nfs/dbraw/zinc/86/48/18/941864818.db2.gz CFPVYGJPTNKZJF-BHYNMZESSA-N 1 2 287.319 1.150 20 30 CDEDLO Cc1cc(=O)c(C#N)c(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)[nH]1 ZINC001225468644 941864819 /nfs/dbraw/zinc/86/48/19/941864819.db2.gz CFPVYGJPTNKZJF-BHYNMZESSA-N 1 2 287.319 1.150 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc(F)c3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001225667146 941897067 /nfs/dbraw/zinc/89/70/67/941897067.db2.gz PDCZYHCWZVSXND-LEGMNPEXSA-N 1 2 294.282 1.725 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc(F)c3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001225667146 941897068 /nfs/dbraw/zinc/89/70/68/941897068.db2.gz PDCZYHCWZVSXND-LEGMNPEXSA-N 1 2 294.282 1.725 20 30 CDEDLO C=CCCC(=O)NC1CC[NH+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001226518690 942019656 /nfs/dbraw/zinc/01/96/56/942019656.db2.gz LHVKCAILBSRYFS-NSHDSACASA-N 1 2 292.383 1.986 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3noc4cc(F)ccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227921746 942245311 /nfs/dbraw/zinc/24/53/11/942245311.db2.gz AITSMGYVIIBTKP-LSVRBPJHSA-N 1 2 290.294 1.958 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3noc4cc(F)ccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227921746 942245312 /nfs/dbraw/zinc/24/53/12/942245312.db2.gz AITSMGYVIIBTKP-LSVRBPJHSA-N 1 2 290.294 1.958 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2c(F)cc(C#N)cc2F)C1 ZINC001228080112 942266746 /nfs/dbraw/zinc/26/67/46/942266746.db2.gz NXUXGYAMNCTXBQ-JTQLQIEISA-N 1 2 268.263 1.546 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2c(F)cc(C#N)cc2F)C1 ZINC001228080112 942266749 /nfs/dbraw/zinc/26/67/49/942266749.db2.gz NXUXGYAMNCTXBQ-JTQLQIEISA-N 1 2 268.263 1.546 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2cc([N+](=O)[O-])ccc2C#N)C1 ZINC001228926647 942396015 /nfs/dbraw/zinc/39/60/15/942396015.db2.gz NUOGSCIPTIFUGI-LBPRGKRZSA-N 1 2 277.280 1.176 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2cc([N+](=O)[O-])ccc2C#N)C1 ZINC001228926647 942396019 /nfs/dbraw/zinc/39/60/19/942396019.db2.gz NUOGSCIPTIFUGI-LBPRGKRZSA-N 1 2 277.280 1.176 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N2CC(CC#N)C2)[nH]n1 ZINC001277350770 942410618 /nfs/dbraw/zinc/41/06/18/942410618.db2.gz PFTUOXAQQUYGJU-XJKSGUPXSA-N 1 2 299.378 1.055 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@H]3C[C@]32C(=O)N2CC(CC#N)C2)[nH]n1 ZINC001277350770 942410620 /nfs/dbraw/zinc/41/06/20/942410620.db2.gz PFTUOXAQQUYGJU-XJKSGUPXSA-N 1 2 299.378 1.055 20 30 CDEDLO CCc1cccc(O)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001230377100 942615120 /nfs/dbraw/zinc/61/51/20/942615120.db2.gz OBLIJRIFQNJOSY-FDAWXEHDSA-N 1 2 275.348 1.946 20 30 CDEDLO CCc1cccc(O)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001230377100 942615122 /nfs/dbraw/zinc/61/51/22/942615122.db2.gz OBLIJRIFQNJOSY-FDAWXEHDSA-N 1 2 275.348 1.946 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C(F)F)n2CC(C)C)CC1 ZINC001525001718 970920807 /nfs/dbraw/zinc/92/08/07/970920807.db2.gz QNYUQUPTYQNKTK-UHFFFAOYSA-N 1 2 297.353 1.627 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CN(C)C(=O)CCC)C1=O ZINC001230618348 942657865 /nfs/dbraw/zinc/65/78/65/942657865.db2.gz FGHYZFPXJCRFLJ-KBPBESRZSA-N 1 2 293.411 1.106 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CN(C)C(=O)CCC)C1=O ZINC001230618348 942657866 /nfs/dbraw/zinc/65/78/66/942657866.db2.gz FGHYZFPXJCRFLJ-KBPBESRZSA-N 1 2 293.411 1.106 20 30 CDEDLO Cc1nc(Cl)ncc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001231033241 942762828 /nfs/dbraw/zinc/76/28/28/942762828.db2.gz WQJBYPDUUCPDGJ-ADAFDVPTSA-N 1 2 281.743 1.430 20 30 CDEDLO Cc1nc(Cl)ncc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001231033241 942762833 /nfs/dbraw/zinc/76/28/33/942762833.db2.gz WQJBYPDUUCPDGJ-ADAFDVPTSA-N 1 2 281.743 1.430 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(C)C(C)C ZINC001231123917 942794058 /nfs/dbraw/zinc/79/40/58/942794058.db2.gz XPSDQQLWOMHWFQ-AWEZNQCLSA-N 1 2 295.427 1.352 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(C)C(C)C ZINC001231123917 942794063 /nfs/dbraw/zinc/79/40/63/942794063.db2.gz XPSDQQLWOMHWFQ-AWEZNQCLSA-N 1 2 295.427 1.352 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C)C(C)C ZINC001231123918 942795034 /nfs/dbraw/zinc/79/50/34/942795034.db2.gz XPSDQQLWOMHWFQ-CQSZACIVSA-N 1 2 295.427 1.352 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(C)C(C)C ZINC001231123918 942795036 /nfs/dbraw/zinc/79/50/36/942795036.db2.gz XPSDQQLWOMHWFQ-CQSZACIVSA-N 1 2 295.427 1.352 20 30 CDEDLO C#Cc1cccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3=O)c1 ZINC001231664764 942968580 /nfs/dbraw/zinc/96/85/80/942968580.db2.gz WUHSITWICRWLTL-GASCZTMLSA-N 1 2 255.317 1.315 20 30 CDEDLO C#Cc1cccc(C[N@H+]2C[C@@H]3COC[C@H](C2)C3=O)c1 ZINC001231664764 942968583 /nfs/dbraw/zinc/96/85/83/942968583.db2.gz WUHSITWICRWLTL-GASCZTMLSA-N 1 2 255.317 1.315 20 30 CDEDLO CC(=O)N1CCC[N@H+](Cc2cc(C#N)ccn2)CC1 ZINC001232476192 943290862 /nfs/dbraw/zinc/29/08/62/943290862.db2.gz XYZWJDWXSCQLAQ-UHFFFAOYSA-N 1 2 258.325 1.007 20 30 CDEDLO CC(=O)N1CCC[N@@H+](Cc2cc(C#N)ccn2)CC1 ZINC001232476192 943290869 /nfs/dbraw/zinc/29/08/69/943290869.db2.gz XYZWJDWXSCQLAQ-UHFFFAOYSA-N 1 2 258.325 1.007 20 30 CDEDLO N#Cc1ccnc(C[NH+]2CC3(C2)C[C@@H](F)CS3)c1 ZINC001232480223 943293490 /nfs/dbraw/zinc/29/34/90/943293490.db2.gz PEOFYTHHDXYQQC-LLVKDONJSA-N 1 2 263.341 1.983 20 30 CDEDLO C[C@@]1(CO)CC[N@H+](Cc2ccc(Cl)cc2C#N)C[C@H]1O ZINC001232605041 943337514 /nfs/dbraw/zinc/33/75/14/943337514.db2.gz RINUWVCMBXQPQR-CABCVRRESA-N 1 2 294.782 1.777 20 30 CDEDLO C[C@@]1(CO)CC[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@H]1O ZINC001232605041 943337519 /nfs/dbraw/zinc/33/75/19/943337519.db2.gz RINUWVCMBXQPQR-CABCVRRESA-N 1 2 294.782 1.777 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCC3(COC3)C2)c1 ZINC001232675283 943357290 /nfs/dbraw/zinc/35/72/90/943357290.db2.gz PDLRWNKCAMRWRJ-UHFFFAOYSA-N 1 2 258.321 1.876 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCCC3(COC3)C2)c1 ZINC001232675283 943357295 /nfs/dbraw/zinc/35/72/95/943357295.db2.gz PDLRWNKCAMRWRJ-UHFFFAOYSA-N 1 2 258.321 1.876 20 30 CDEDLO C=CCCC[N@@H+]1CCc2[nH]nc(C(=O)N(C)C)c2C1 ZINC001277779367 943511001 /nfs/dbraw/zinc/51/10/01/943511001.db2.gz FXETVPKEXFKGSE-UHFFFAOYSA-N 1 2 262.357 1.436 20 30 CDEDLO C=CCCC[N@H+]1CCc2[nH]nc(C(=O)N(C)C)c2C1 ZINC001277779367 943511004 /nfs/dbraw/zinc/51/10/04/943511004.db2.gz FXETVPKEXFKGSE-UHFFFAOYSA-N 1 2 262.357 1.436 20 30 CDEDLO N#Cc1ccc(C[N@H+]2Cc3ccnn3CC[C@H]2CO)c(O)c1 ZINC001233387675 943574272 /nfs/dbraw/zinc/57/42/72/943574272.db2.gz TTZDYXTUDBUAJX-HNNXBMFYSA-N 1 2 298.346 1.227 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2Cc3ccnn3CC[C@H]2CO)c(O)c1 ZINC001233387675 943574275 /nfs/dbraw/zinc/57/42/75/943574275.db2.gz TTZDYXTUDBUAJX-HNNXBMFYSA-N 1 2 298.346 1.227 20 30 CDEDLO C#CC[NH+](CC#C)Cc1c[nH]c(Br)c1 ZINC001233438344 943583663 /nfs/dbraw/zinc/58/36/63/943583663.db2.gz MLKIASAWLPILNM-UHFFFAOYSA-N 1 2 251.127 1.846 20 30 CDEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@@H+]1C/C=C/Cl ZINC001234130842 943750387 /nfs/dbraw/zinc/75/03/87/943750387.db2.gz NYRGXYPYZKTPHZ-GBVBUYCNSA-N 1 2 268.788 1.931 20 30 CDEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@H+]1C/C=C/Cl ZINC001234130842 943750393 /nfs/dbraw/zinc/75/03/93/943750393.db2.gz NYRGXYPYZKTPHZ-GBVBUYCNSA-N 1 2 268.788 1.931 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)/C=C(\C)CC ZINC001234128159 943750771 /nfs/dbraw/zinc/75/07/71/943750771.db2.gz AVXWKQONUTZYNF-UELRPHRMSA-N 1 2 293.411 1.178 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)/C=C(\C)CC ZINC001234128159 943750775 /nfs/dbraw/zinc/75/07/75/943750775.db2.gz AVXWKQONUTZYNF-UELRPHRMSA-N 1 2 293.411 1.178 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2ccccc2C=NO)C1 ZINC001234820666 943954772 /nfs/dbraw/zinc/95/47/72/943954772.db2.gz XZZBUUUCTZZYOA-LBPRGKRZSA-N 1 2 250.298 1.204 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2ccccc2C=NO)C1 ZINC001234820666 943954775 /nfs/dbraw/zinc/95/47/75/943954775.db2.gz XZZBUUUCTZZYOA-LBPRGKRZSA-N 1 2 250.298 1.204 20 30 CDEDLO CCOC(=O)c1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)[nH]n1 ZINC001237034967 944641701 /nfs/dbraw/zinc/64/17/01/944641701.db2.gz KXBBJGOSZZKGHF-NSHDSACASA-N 1 2 276.340 1.712 20 30 CDEDLO CCOC(=O)c1cc(C[N@H+]2CCC[C@@H](CC#N)C2)[nH]n1 ZINC001237034967 944641702 /nfs/dbraw/zinc/64/17/02/944641702.db2.gz KXBBJGOSZZKGHF-NSHDSACASA-N 1 2 276.340 1.712 20 30 CDEDLO O=C1C=C2C[N@@H+](Cc3c[nH]ccc3=O)CC[C@H]2S1 ZINC001237845446 944981085 /nfs/dbraw/zinc/98/10/85/944981085.db2.gz IRWASQGLMXKUKF-GFCCVEGCSA-N 1 2 262.334 1.149 20 30 CDEDLO O=C1C=C2C[N@H+](Cc3c[nH]ccc3=O)CC[C@H]2S1 ZINC001237845446 944981090 /nfs/dbraw/zinc/98/10/90/944981090.db2.gz IRWASQGLMXKUKF-GFCCVEGCSA-N 1 2 262.334 1.149 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(C#N)CC1 ZINC001261839355 946293892 /nfs/dbraw/zinc/29/38/92/946293892.db2.gz AZRNBXKZNPMFFQ-VXGBXAGGSA-N 1 2 258.325 1.286 20 30 CDEDLO CCOC(=O)c1nnc(C[NH2+][C@@H]2CC[C@H](C#N)C2)o1 ZINC001254636900 947563703 /nfs/dbraw/zinc/56/37/03/947563703.db2.gz MIWCGPRZQQLIRK-DTWKUNHWSA-N 1 2 264.285 1.028 20 30 CDEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCn2cnc(CO)c2C1 ZINC001246716956 948417104 /nfs/dbraw/zinc/41/71/04/948417104.db2.gz WGBYSTRXPPARDW-ZDUSSCGKSA-N 1 2 296.374 1.694 20 30 CDEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCn2cnc(CO)c2C1 ZINC001246716956 948417108 /nfs/dbraw/zinc/41/71/08/948417108.db2.gz WGBYSTRXPPARDW-ZDUSSCGKSA-N 1 2 296.374 1.694 20 30 CDEDLO CCOC(=O)C[C@@H]([NH2+]C1CCC(C#N)CC1)C(=O)OCC ZINC001256953731 948461791 /nfs/dbraw/zinc/46/17/91/948461791.db2.gz MBEHHOWYKAHVJY-WXRRBKDZSA-N 1 2 296.367 1.543 20 30 CDEDLO COc1ccc(CC[C@@H](C)N2CC[NH2+]C[C@H]2C#N)cc1 ZINC001258402524 948829916 /nfs/dbraw/zinc/82/99/16/948829916.db2.gz YCLCEVIXEJKXTN-UKRRQHHQSA-N 1 2 273.380 1.814 20 30 CDEDLO N#Cc1ccc2cc(C[N@H+]3C[C@H](F)C[C@H]3CO)[nH]c2c1 ZINC001249426041 949595538 /nfs/dbraw/zinc/59/55/38/949595538.db2.gz CBSQJISENUCTOQ-OCCSQVGLSA-N 1 2 273.311 1.944 20 30 CDEDLO N#Cc1ccc2cc(C[N@@H+]3C[C@H](F)C[C@H]3CO)[nH]c2c1 ZINC001249426041 949595556 /nfs/dbraw/zinc/59/55/56/949595556.db2.gz CBSQJISENUCTOQ-OCCSQVGLSA-N 1 2 273.311 1.944 20 30 CDEDLO C#CC[N@@H+](C)Cc1c(C)nnn1-c1ccc(F)cc1 ZINC001249449807 949606397 /nfs/dbraw/zinc/60/63/97/949606397.db2.gz QIJAMLYRIOCWOU-UHFFFAOYSA-N 1 2 258.300 1.780 20 30 CDEDLO C#CC[N@H+](C)Cc1c(C)nnn1-c1ccc(F)cc1 ZINC001249449807 949606411 /nfs/dbraw/zinc/60/64/11/949606411.db2.gz QIJAMLYRIOCWOU-UHFFFAOYSA-N 1 2 258.300 1.780 20 30 CDEDLO C=C[C@@](C)(O)CN1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001252558224 951452243 /nfs/dbraw/zinc/45/22/43/951452243.db2.gz RRJAZMHZOPKUHY-QWHCGFSZSA-N 1 2 274.355 1.729 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001252595985 951490770 /nfs/dbraw/zinc/49/07/70/951490770.db2.gz LUPZZMDCDIJAFB-OCCSQVGLSA-N 1 2 294.399 1.171 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001252595985 951490778 /nfs/dbraw/zinc/49/07/78/951490778.db2.gz LUPZZMDCDIJAFB-OCCSQVGLSA-N 1 2 294.399 1.171 20 30 CDEDLO C=C[C@@H](O)CN1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001253587888 951979330 /nfs/dbraw/zinc/97/93/30/951979330.db2.gz PWHXZZDJUHBSOC-VXGBXAGGSA-N 1 2 260.328 1.339 20 30 CDEDLO C[C@@](O)(C[N@@H+]1CC[C@@H](C#N)C1)C(=O)OCc1ccccc1 ZINC001253636923 952005942 /nfs/dbraw/zinc/00/59/42/952005942.db2.gz WIXRXJJJCJQBIL-GOEBONIOSA-N 1 2 288.347 1.326 20 30 CDEDLO C[C@@](O)(C[N@H+]1CC[C@@H](C#N)C1)C(=O)OCc1ccccc1 ZINC001253636923 952005945 /nfs/dbraw/zinc/00/59/45/952005945.db2.gz WIXRXJJJCJQBIL-GOEBONIOSA-N 1 2 288.347 1.326 20 30 CDEDLO C=C(CC)CNC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001325522399 953943520 /nfs/dbraw/zinc/94/35/20/953943520.db2.gz FTPJRSZTEGFHDV-UHFFFAOYSA-N 1 2 286.335 1.033 20 30 CDEDLO CN1CCC(=[NH+]NC(=S)NC2CC2)c2ccccc21 ZINC001325848284 954105795 /nfs/dbraw/zinc/10/57/95/954105795.db2.gz ZVAJFQMJTFORFK-UHFFFAOYSA-N 1 2 274.393 1.857 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(C#N)cn1 ZINC001364151933 954261330 /nfs/dbraw/zinc/26/13/30/954261330.db2.gz SFBQLBKGOFZGEH-SNVBAGLBSA-N 1 2 270.296 1.360 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1n[nH]cc1C ZINC001492248533 955753546 /nfs/dbraw/zinc/75/35/46/955753546.db2.gz WSYOTLWSGFGSRC-UHFFFAOYSA-N 1 2 256.737 1.132 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1n[nH]cc1C ZINC001492248533 955753552 /nfs/dbraw/zinc/75/35/52/955753552.db2.gz WSYOTLWSGFGSRC-UHFFFAOYSA-N 1 2 256.737 1.132 20 30 CDEDLO N#Cc1cccc([C@H](O)C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)c1 ZINC001365274102 955808607 /nfs/dbraw/zinc/80/86/07/955808607.db2.gz DZEWXKYYYARLMN-BZUAXINKSA-N 1 2 299.374 1.335 20 30 CDEDLO N#Cc1cccc([C@H](O)C[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)c1 ZINC001365274102 955808616 /nfs/dbraw/zinc/80/86/16/955808616.db2.gz DZEWXKYYYARLMN-BZUAXINKSA-N 1 2 299.374 1.335 20 30 CDEDLO C#Cc1ccc(C(=O)NCc2[nH]c3c([nH+]2)CCCC3)nc1 ZINC001304055348 956156575 /nfs/dbraw/zinc/15/65/75/956156575.db2.gz AQXSKZWAAYHUQL-UHFFFAOYSA-N 1 2 280.331 1.595 20 30 CDEDLO C=CCC[C@H](NC(=O)[C@H](C)n1cc[nH+]c1)C(=O)OCC ZINC001330804080 956639252 /nfs/dbraw/zinc/63/92/52/956639252.db2.gz IAFILVYEWASEPL-RYUDHWBXSA-N 1 2 279.340 1.458 20 30 CDEDLO C#CC[N@H+](CC1CC1)CN1C(=O)CC2(CCC2)C1=O ZINC001331350114 956985386 /nfs/dbraw/zinc/98/53/86/956985386.db2.gz FVBJAMDHDLEATE-UHFFFAOYSA-N 1 2 260.337 1.218 20 30 CDEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)CC2(CCC2)C1=O ZINC001331350114 956985390 /nfs/dbraw/zinc/98/53/90/956985390.db2.gz FVBJAMDHDLEATE-UHFFFAOYSA-N 1 2 260.337 1.218 20 30 CDEDLO C#CCN(CC1CC1)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC001332403656 957549101 /nfs/dbraw/zinc/54/91/01/957549101.db2.gz ZCDRQVGZAMDEOZ-OAHLLOKOSA-N 1 2 293.411 1.152 20 30 CDEDLO C=CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(=O)[O-] ZINC001333123983 958086659 /nfs/dbraw/zinc/08/66/59/958086659.db2.gz FTIWTKPRVACERU-ZDUSSCGKSA-N 1 2 275.352 1.669 20 30 CDEDLO CC(C)NC(=S)N[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC001319265877 958467601 /nfs/dbraw/zinc/46/76/01/958467601.db2.gz FGFFYXPAGRNSNR-UHFFFAOYSA-N 1 2 291.424 1.888 20 30 CDEDLO C#CCNC(=O)[C@@H](C)SCc1cc(OC)cc(C)[nH+]1 ZINC001320670436 959308616 /nfs/dbraw/zinc/30/86/16/959308616.db2.gz UQAAPMYVCQKIPG-LLVKDONJSA-N 1 2 278.377 1.770 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)COc2cc(C)on2)C1 ZINC001369985282 959945680 /nfs/dbraw/zinc/94/56/80/959945680.db2.gz HVSRBRQLAKBWBT-LLVKDONJSA-N 1 2 299.758 1.305 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)COc2cc(C)on2)C1 ZINC001369985282 959945688 /nfs/dbraw/zinc/94/56/88/959945688.db2.gz HVSRBRQLAKBWBT-LLVKDONJSA-N 1 2 299.758 1.305 20 30 CDEDLO C=C(C)CCC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC001335931687 960106631 /nfs/dbraw/zinc/10/66/31/960106631.db2.gz YBCOAVCNKDOFEG-ZDUSSCGKSA-N 1 2 254.374 1.522 20 30 CDEDLO C[C@@H]1C[N@H+](CCNc2cc(C#N)cc(Cl)n2)CCO1 ZINC001336507059 960373023 /nfs/dbraw/zinc/37/30/23/960373023.db2.gz XFPPITGYWAIZET-SNVBAGLBSA-N 1 2 280.759 1.739 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNc2cc(C#N)cc(Cl)n2)CCO1 ZINC001336507059 960373032 /nfs/dbraw/zinc/37/30/32/960373032.db2.gz XFPPITGYWAIZET-SNVBAGLBSA-N 1 2 280.759 1.739 20 30 CDEDLO N#Cc1cc(NC(=O)NCc2ccc[nH+]c2N)ccc1F ZINC001434709354 961803612 /nfs/dbraw/zinc/80/36/12/961803612.db2.gz IHDMOMSZDIGZBN-UHFFFAOYSA-N 1 2 285.282 1.996 20 30 CDEDLO C#CCN(C)c1nnc([C@@H]2CCCC[N@@H+]2C)n1CC=C ZINC001338748671 961974190 /nfs/dbraw/zinc/97/41/90/961974190.db2.gz BJBLEQJGERHRLG-ZDUSSCGKSA-N 1 2 273.384 1.690 20 30 CDEDLO C#CCN(C)c1nnc([C@@H]2CCCC[N@H+]2C)n1CC=C ZINC001338748671 961974203 /nfs/dbraw/zinc/97/42/03/961974203.db2.gz BJBLEQJGERHRLG-ZDUSSCGKSA-N 1 2 273.384 1.690 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1c[nH]nc1CC ZINC001419985233 962335997 /nfs/dbraw/zinc/33/59/97/962335997.db2.gz ZYHFETMDZZCWPK-UHFFFAOYSA-N 1 2 284.791 1.728 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1c[nH]nc1CC ZINC001419985233 962336011 /nfs/dbraw/zinc/33/60/11/962336011.db2.gz ZYHFETMDZZCWPK-UHFFFAOYSA-N 1 2 284.791 1.728 20 30 CDEDLO C#Cc1cccc(CNC(=O)CCc2[nH+]ccn2C)c1 ZINC001347673967 965652818 /nfs/dbraw/zinc/65/28/18/965652818.db2.gz GYBJLTRWZWTNNM-UHFFFAOYSA-N 1 2 267.332 1.650 20 30 CDEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2CCC[N@@H+]2C)n1CC1CC1 ZINC001347951792 965761815 /nfs/dbraw/zinc/76/18/15/965761815.db2.gz RLISAIIOQVZXHD-TZMCWYRMSA-N 1 2 287.411 1.913 20 30 CDEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2CCC[N@H+]2C)n1CC1CC1 ZINC001347951792 965761826 /nfs/dbraw/zinc/76/18/26/965761826.db2.gz RLISAIIOQVZXHD-TZMCWYRMSA-N 1 2 287.411 1.913 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](OCC)C1CC1 ZINC001444981496 966039710 /nfs/dbraw/zinc/03/97/10/966039710.db2.gz ZEQVBGVTNVJXOB-ZDUSSCGKSA-N 1 2 288.819 1.944 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](OCC)C1CC1 ZINC001444981496 966039722 /nfs/dbraw/zinc/03/97/22/966039722.db2.gz ZEQVBGVTNVJXOB-ZDUSSCGKSA-N 1 2 288.819 1.944 20 30 CDEDLO Cc1cc(N(C)CCNC(=O)[C@H](C)C#N)nc(C2CC2)[nH+]1 ZINC001100005161 967189728 /nfs/dbraw/zinc/18/97/28/967189728.db2.gz STJXBPNDQKUORU-SNVBAGLBSA-N 1 2 287.367 1.375 20 30 CDEDLO C[C@H](CC(=O)OCC#Cc1ccccn1)n1cc[nH+]c1 ZINC001518977243 970050569 /nfs/dbraw/zinc/05/05/69/970050569.db2.gz DHDSVYZSLJOZGT-CYBMUJFWSA-N 1 2 269.304 1.824 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccc2nccn2c1 ZINC001372178740 972834209 /nfs/dbraw/zinc/83/42/09/972834209.db2.gz KWTQVOMLUVGFOJ-UHFFFAOYSA-N 1 2 292.770 1.748 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccc2nccn2c1 ZINC001372178740 972834225 /nfs/dbraw/zinc/83/42/25/972834225.db2.gz KWTQVOMLUVGFOJ-UHFFFAOYSA-N 1 2 292.770 1.748 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccnc(OC)n1 ZINC001375077488 974252579 /nfs/dbraw/zinc/25/25/79/974252579.db2.gz WZDJDDWPORLGRA-SNVBAGLBSA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccnc(OC)n1 ZINC001375077488 974252581 /nfs/dbraw/zinc/25/25/81/974252581.db2.gz WZDJDDWPORLGRA-SNVBAGLBSA-N 1 2 298.774 1.288 20 30 CDEDLO CC(C)c1cnc(C[NH2+]C2(CNC(=O)[C@H](C)C#N)CC2)o1 ZINC001375406282 974370455 /nfs/dbraw/zinc/37/04/55/974370455.db2.gz YQOSZRUKXNRTHZ-LLVKDONJSA-N 1 2 290.367 1.696 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(C)o2)C1 ZINC001500630732 974456627 /nfs/dbraw/zinc/45/66/27/974456627.db2.gz AXAWYEGRMWFPRY-CQSZACIVSA-N 1 2 298.770 1.507 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(C)o2)C1 ZINC001500630732 974456631 /nfs/dbraw/zinc/45/66/31/974456631.db2.gz AXAWYEGRMWFPRY-CQSZACIVSA-N 1 2 298.770 1.507 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CCOC)C1 ZINC001405140836 975645822 /nfs/dbraw/zinc/64/58/22/975645822.db2.gz KPZDTDKONUHEKP-GFCCVEGCSA-N 1 2 274.792 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCOC)C1 ZINC001405140836 975645831 /nfs/dbraw/zinc/64/58/31/975645831.db2.gz KPZDTDKONUHEKP-GFCCVEGCSA-N 1 2 274.792 1.698 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)c2occc2C)C1 ZINC001407338269 976643700 /nfs/dbraw/zinc/64/37/00/976643700.db2.gz ZUFILTTZQIWPND-CQSZACIVSA-N 1 2 298.770 1.507 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)c2occc2C)C1 ZINC001407338269 976643706 /nfs/dbraw/zinc/64/37/06/976643706.db2.gz ZUFILTTZQIWPND-CQSZACIVSA-N 1 2 298.770 1.507 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc(CC)nn1C ZINC001394130299 978079963 /nfs/dbraw/zinc/07/99/63/978079963.db2.gz UNRNUNCOLBHCEZ-NSHDSACASA-N 1 2 298.818 1.785 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(CC)nn1C ZINC001394130299 978079968 /nfs/dbraw/zinc/07/99/68/978079968.db2.gz UNRNUNCOLBHCEZ-NSHDSACASA-N 1 2 298.818 1.785 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+]Cc1ncccn1 ZINC001132302377 1163229981 /nfs/dbraw/zinc/22/99/81/1163229981.db2.gz QVUFVOWZMJVDLW-UHFFFAOYSA-N 1 2 262.357 1.285 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nc(C(F)F)no1 ZINC001132403939 1163271154 /nfs/dbraw/zinc/27/11/54/1163271154.db2.gz LGCQJZXLOBFFLK-UHFFFAOYSA-N 1 2 288.298 1.425 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001132568977 1163376231 /nfs/dbraw/zinc/37/62/31/1163376231.db2.gz ISOPFFCPFSZMLG-VHSXEESVSA-N 1 2 266.345 1.042 20 30 CDEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1csnn1 ZINC001132569030 1163377475 /nfs/dbraw/zinc/37/74/75/1163377475.db2.gz JTMLLLJBGLTTNR-ZJUUUORDSA-N 1 2 268.386 1.202 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001132653988 1163416395 /nfs/dbraw/zinc/41/63/95/1163416395.db2.gz WKJYGJGCHGVSLG-LLVKDONJSA-N 1 2 292.383 1.755 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001132651367 1163426300 /nfs/dbraw/zinc/42/63/00/1163426300.db2.gz WZNTXBKSYIJMTA-NSHDSACASA-N 1 2 265.357 1.791 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)N(C)Cc1[nH+]ccn1C ZINC000124649902 187147038 /nfs/dbraw/zinc/14/70/38/187147038.db2.gz OXJPBCVDLCSWDV-HNNXBMFYSA-N 1 2 298.346 1.638 20 30 CDEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CCO1 ZINC000045752346 342042043 /nfs/dbraw/zinc/04/20/43/342042043.db2.gz KKLCKKMQGZGZMA-UONOGXRCSA-N 1 2 293.411 1.828 20 30 CDEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CCO1 ZINC000045752346 342042044 /nfs/dbraw/zinc/04/20/44/342042044.db2.gz KKLCKKMQGZGZMA-UONOGXRCSA-N 1 2 293.411 1.828 20 30 CDEDLO Cc1cc(N2CCN(CCC#N)CC2)nc(C(C)C)[nH+]1 ZINC000027544960 342057715 /nfs/dbraw/zinc/05/77/15/342057715.db2.gz WRWAXDKDBOAOCD-UHFFFAOYSA-N 1 2 273.384 1.944 20 30 CDEDLO N#Cc1cccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)c1 ZINC000609029490 342087021 /nfs/dbraw/zinc/08/70/21/342087021.db2.gz RPIZVCDKHYPBOV-UHFFFAOYSA-N 1 2 279.299 1.857 20 30 CDEDLO C[N@H+](CCN1CCCC1=O)Cc1cc(C#N)ccc1F ZINC000123304028 342103250 /nfs/dbraw/zinc/10/32/50/342103250.db2.gz NLANXVJBBRBWCQ-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO C[N@@H+](CCN1CCCC1=O)Cc1cc(C#N)ccc1F ZINC000123304028 342103251 /nfs/dbraw/zinc/10/32/51/342103251.db2.gz NLANXVJBBRBWCQ-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO CCCCCNC(=O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000591020164 342614285 /nfs/dbraw/zinc/61/42/85/342614285.db2.gz MLTLWBFNNKUGIO-HNNXBMFYSA-N 1 2 294.443 1.459 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000590973351 342612587 /nfs/dbraw/zinc/61/25/87/342612587.db2.gz WSNLIVZUYBXMON-GHMZBOCLSA-N 1 2 271.357 1.624 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000590973351 342612588 /nfs/dbraw/zinc/61/25/88/342612588.db2.gz WSNLIVZUYBXMON-GHMZBOCLSA-N 1 2 271.357 1.624 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)Cc1ccc(Br)o1 ZINC000048056915 342154272 /nfs/dbraw/zinc/15/42/72/342154272.db2.gz FRYRJUNQQXDQRY-UHFFFAOYSA-N 1 2 287.157 1.776 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)Cc1ccc(Br)o1 ZINC000048056915 342154273 /nfs/dbraw/zinc/15/42/73/342154273.db2.gz FRYRJUNQQXDQRY-UHFFFAOYSA-N 1 2 287.157 1.776 20 30 CDEDLO CC(C)NC(=O)NCC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000592098398 342665053 /nfs/dbraw/zinc/66/50/53/342665053.db2.gz ABUOXTIFNAWRFS-CYBMUJFWSA-N 1 2 252.362 1.320 20 30 CDEDLO CC(C)NC(=O)NCC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000592098398 342665054 /nfs/dbraw/zinc/66/50/54/342665054.db2.gz ABUOXTIFNAWRFS-CYBMUJFWSA-N 1 2 252.362 1.320 20 30 CDEDLO CC(C)CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147595 342668074 /nfs/dbraw/zinc/66/80/74/342668074.db2.gz MMHCRWOEYKPIEZ-GDBMZVCRSA-N 1 2 295.427 1.668 20 30 CDEDLO CC(C)CCC[C@@H](C)NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147595 342668075 /nfs/dbraw/zinc/66/80/75/342668075.db2.gz MMHCRWOEYKPIEZ-GDBMZVCRSA-N 1 2 295.427 1.668 20 30 CDEDLO CCCC[C@@H](C(=O)OC)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150343 342668620 /nfs/dbraw/zinc/66/86/20/342668620.db2.gz DWAGHKDNQPBZMN-WCQYABFASA-N 1 2 254.330 1.069 20 30 CDEDLO CCCC[C@@H](C(=O)OC)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150343 342668621 /nfs/dbraw/zinc/66/86/21/342668621.db2.gz DWAGHKDNQPBZMN-WCQYABFASA-N 1 2 254.330 1.069 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)cc1F ZINC000248878688 344000932 /nfs/dbraw/zinc/00/09/32/344000932.db2.gz OSQGTBPTRNHXCJ-LSDHHAIUSA-N 1 2 287.338 1.940 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)cc1F ZINC000248878688 344000933 /nfs/dbraw/zinc/00/09/33/344000933.db2.gz OSQGTBPTRNHXCJ-LSDHHAIUSA-N 1 2 287.338 1.940 20 30 CDEDLO C[N@H+](CCC#N)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000156651158 361831922 /nfs/dbraw/zinc/83/19/22/361831922.db2.gz PXDBYKZNNCBGRT-VIFPVBQESA-N 1 2 263.263 1.385 20 30 CDEDLO C[N@@H+](CCC#N)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000156651158 361831926 /nfs/dbraw/zinc/83/19/26/361831926.db2.gz PXDBYKZNNCBGRT-VIFPVBQESA-N 1 2 263.263 1.385 20 30 CDEDLO CC[C@H](C#N)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000593456478 342802692 /nfs/dbraw/zinc/80/26/92/342802692.db2.gz BKBVHRUIAXUTJH-LLVKDONJSA-N 1 2 256.309 1.809 20 30 CDEDLO CC[C@H](C#N)C(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000593743178 342827249 /nfs/dbraw/zinc/82/72/49/342827249.db2.gz VUUHEHXPBBGOQD-GFCCVEGCSA-N 1 2 267.373 1.105 20 30 CDEDLO N#C[C@H]1CCC[C@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000332897437 539049916 /nfs/dbraw/zinc/04/99/16/539049916.db2.gz MVDBCBMPYQIJCO-ZYHUDNBSSA-N 1 2 259.313 1.101 20 30 CDEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](CC)C(N)=O ZINC000352814954 539096837 /nfs/dbraw/zinc/09/68/37/539096837.db2.gz KMMKOBAOZLZKMK-CYBMUJFWSA-N 1 2 266.341 1.414 20 30 CDEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](CC)C(N)=O ZINC000352814954 539096838 /nfs/dbraw/zinc/09/68/38/539096838.db2.gz KMMKOBAOZLZKMK-CYBMUJFWSA-N 1 2 266.341 1.414 20 30 CDEDLO N#CC[N@H+](C[C@H]1CNc2ccnn2C1)C1CCCC1 ZINC000619264538 349662939 /nfs/dbraw/zinc/66/29/39/349662939.db2.gz IRFNIIPMAVUFDE-GFCCVEGCSA-N 1 2 259.357 1.693 20 30 CDEDLO N#CC[N@@H+](C[C@H]1CNc2ccnn2C1)C1CCCC1 ZINC000619264538 349662940 /nfs/dbraw/zinc/66/29/40/349662940.db2.gz IRFNIIPMAVUFDE-GFCCVEGCSA-N 1 2 259.357 1.693 20 30 CDEDLO COC(=O)[C@@H]([NH2+]CCc1ccc(C#N)cc1)C1CC1 ZINC000594712737 342946281 /nfs/dbraw/zinc/94/62/81/342946281.db2.gz WRZRNBAKGNDFCZ-AWEZNQCLSA-N 1 2 258.321 1.642 20 30 CDEDLO C=CCSCC[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000594919001 342986482 /nfs/dbraw/zinc/98/64/82/342986482.db2.gz FOXJFOZTDPTARL-UHFFFAOYSA-N 1 2 255.391 1.437 20 30 CDEDLO Cn1c[nH+]c(CN2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000595301701 343028524 /nfs/dbraw/zinc/02/85/24/343028524.db2.gz NHFBDZZUCREZCY-UHFFFAOYSA-N 1 2 299.353 1.753 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H](CC#N)C1 ZINC000595444657 343063386 /nfs/dbraw/zinc/06/33/86/343063386.db2.gz PGUJXAGAFHXLSZ-UONOGXRCSA-N 1 2 294.399 1.042 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCn2c[nH+]cc2C1 ZINC000595494742 343077083 /nfs/dbraw/zinc/07/70/83/343077083.db2.gz MXLRSCMRCRUJHD-WFASDCNBSA-N 1 2 289.383 1.142 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595610275 343108245 /nfs/dbraw/zinc/10/82/45/343108245.db2.gz VCPOPXILRIJPBE-ZFWWWQNUSA-N 1 2 276.384 1.667 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595610275 343108246 /nfs/dbraw/zinc/10/82/46/343108246.db2.gz VCPOPXILRIJPBE-ZFWWWQNUSA-N 1 2 276.384 1.667 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)ccc1F ZINC000300421478 362091618 /nfs/dbraw/zinc/09/16/18/362091618.db2.gz FCXNJLPHQUJCMY-TZMCWYRMSA-N 1 2 273.311 1.408 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)ccc1F ZINC000300421478 362091625 /nfs/dbraw/zinc/09/16/25/362091625.db2.gz FCXNJLPHQUJCMY-TZMCWYRMSA-N 1 2 273.311 1.408 20 30 CDEDLO C=CC[N@@H+](Cc1[nH]nc(C)c1C(=O)OCC)[C@@H](C)COC ZINC000595638495 343123139 /nfs/dbraw/zinc/12/31/39/343123139.db2.gz GZVXCGZCRSVRNF-NSHDSACASA-N 1 2 295.383 1.918 20 30 CDEDLO C=CC[N@H+](Cc1[nH]nc(C)c1C(=O)OCC)[C@@H](C)COC ZINC000595638495 343123141 /nfs/dbraw/zinc/12/31/41/343123141.db2.gz GZVXCGZCRSVRNF-NSHDSACASA-N 1 2 295.383 1.918 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)Nc2sccc2C#N)C[C@@]1(C)CO ZINC000595870477 343176676 /nfs/dbraw/zinc/17/66/76/343176676.db2.gz GOKLPLLIXNDKSN-YGRLFVJLSA-N 1 2 293.392 1.509 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)C[C@@]1(C)CO ZINC000595870477 343176678 /nfs/dbraw/zinc/17/66/78/343176678.db2.gz GOKLPLLIXNDKSN-YGRLFVJLSA-N 1 2 293.392 1.509 20 30 CDEDLO CCc1nc(C#N)cc(NCCc2cccc(C)[nH+]2)n1 ZINC000596222660 343270831 /nfs/dbraw/zinc/27/08/31/343270831.db2.gz LORUUXFODIEXDS-UHFFFAOYSA-N 1 2 267.336 1.691 20 30 CDEDLO Cc1nc(N2CCC[C@H](CC#N)C2)nc(N(C)C)[nH+]1 ZINC000596328544 343304369 /nfs/dbraw/zinc/30/43/69/343304369.db2.gz HETOBJZPFXZMSQ-LLVKDONJSA-N 1 2 260.345 1.376 20 30 CDEDLO Cc1nc(N(C)C)nc(N2CCC[C@H](CC#N)C2)[nH+]1 ZINC000596328544 343304370 /nfs/dbraw/zinc/30/43/70/343304370.db2.gz HETOBJZPFXZMSQ-LLVKDONJSA-N 1 2 260.345 1.376 20 30 CDEDLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@H](CC#N)C1 ZINC000596816523 343398919 /nfs/dbraw/zinc/39/89/19/343398919.db2.gz JHAJCWXTVNCSDI-GFCCVEGCSA-N 1 2 258.325 1.970 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)CC1(C#N)CCCCC1 ZINC000597491911 343557363 /nfs/dbraw/zinc/55/73/63/343557363.db2.gz BNEVJSSNGRWIIH-UHFFFAOYSA-N 1 2 274.368 1.943 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1ccc(C#N)c(F)c1 ZINC000597753348 343615388 /nfs/dbraw/zinc/61/53/88/343615388.db2.gz AGIGNPKGZNWGFA-CHWSQXEVSA-N 1 2 298.321 1.851 20 30 CDEDLO N#Cc1ccc(C[NH2+][C@H](CCO)c2ccco2)nc1 ZINC000566017325 365780300 /nfs/dbraw/zinc/78/03/00/365780300.db2.gz MLFDZZXPJBGSCE-CYBMUJFWSA-N 1 2 257.293 1.760 20 30 CDEDLO N#CC1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCC1 ZINC000597784460 343634518 /nfs/dbraw/zinc/63/45/18/343634518.db2.gz SMNDKZQJINXRKX-LLVKDONJSA-N 1 2 258.325 1.256 20 30 CDEDLO CN1CCOC[C@H]1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329054318 529781059 /nfs/dbraw/zinc/78/10/59/529781059.db2.gz XKACANSDAAEIRX-LBPRGKRZSA-N 1 2 278.356 1.007 20 30 CDEDLO CN(C)[C@@H](C(=O)N1CCC[C@@H](CC#N)C1)c1c[nH+]cn1C ZINC000597902951 343666201 /nfs/dbraw/zinc/66/62/01/343666201.db2.gz FSEZSTHOOHIDBY-GXTWGEPZSA-N 1 2 289.383 1.175 20 30 CDEDLO CNC(=O)C[NH+]1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000301266179 136427229 /nfs/dbraw/zinc/42/72/29/136427229.db2.gz HTMHKNAZZOAIDI-UHFFFAOYSA-N 1 2 292.770 1.080 20 30 CDEDLO C[C@H](C#N)N(C(=O)c1ccc(-n2cc[nH+]c2)nn1)C1CC1 ZINC000598128822 343718502 /nfs/dbraw/zinc/71/85/02/343718502.db2.gz CLEAXVAMUACHMA-SNVBAGLBSA-N 1 2 282.307 1.179 20 30 CDEDLO C=C[C@H]([NH2+]CC1(CCOCC)CCC1)C(=O)OC ZINC000619704010 349860022 /nfs/dbraw/zinc/86/00/22/349860022.db2.gz WNYXGFYBVJIWBU-LBPRGKRZSA-N 1 2 255.358 1.901 20 30 CDEDLO C[C@@H](NC(=O)c1ccc(C#N)s1)c1[nH+]ccn1C ZINC000598464627 343805877 /nfs/dbraw/zinc/80/58/77/343805877.db2.gz KCTYTFFEKPNPBR-MRVPVSSYSA-N 1 2 260.322 1.844 20 30 CDEDLO Cc1[nH]ncc1C[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600718085 349876749 /nfs/dbraw/zinc/87/67/49/349876749.db2.gz PMEXWQGHSNPFNO-AWEZNQCLSA-N 1 2 286.335 1.119 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000598628596 343848555 /nfs/dbraw/zinc/84/85/55/343848555.db2.gz QBYGOCDGOBTFLM-GHMZBOCLSA-N 1 2 294.317 1.940 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000598628596 343848557 /nfs/dbraw/zinc/84/85/57/343848557.db2.gz QBYGOCDGOBTFLM-GHMZBOCLSA-N 1 2 294.317 1.940 20 30 CDEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1c[nH]c(C#N)c1 ZINC000598738699 343892572 /nfs/dbraw/zinc/89/25/72/343892572.db2.gz QAQCERRZMINKJV-VIFPVBQESA-N 1 2 257.297 1.594 20 30 CDEDLO N#Cc1ccsc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598949505 343933368 /nfs/dbraw/zinc/93/33/68/343933368.db2.gz UPWYEFDHBKXNHY-SNVBAGLBSA-N 1 2 272.333 1.561 20 30 CDEDLO Cn1nccc1[C@@H]1c2[nH]c[nH+]c2CCN1CCC#N ZINC000599444795 344051026 /nfs/dbraw/zinc/05/10/26/344051026.db2.gz MJUWFCJJSHUUGM-CYBMUJFWSA-N 1 2 256.313 1.004 20 30 CDEDLO C[C@]1(C#N)CCCN(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000612112111 347024858 /nfs/dbraw/zinc/02/48/58/347024858.db2.gz UHRRZUWPAOOSTA-OAHLLOKOSA-N 1 2 289.383 1.999 20 30 CDEDLO Cc1oc(NC(=O)CN2CCc3[nH+]c[nH]c3C2)c(C#N)c1C ZINC000599430709 344056841 /nfs/dbraw/zinc/05/68/41/344056841.db2.gz YWLRWGXBKSBURY-UHFFFAOYSA-N 1 2 299.334 1.488 20 30 CDEDLO CCCNC(=O)C[N@H+](CCC)Cc1cccc(C#N)n1 ZINC000602447987 344434041 /nfs/dbraw/zinc/43/40/41/344434041.db2.gz JLCGKVWNFSXICQ-UHFFFAOYSA-N 1 2 274.368 1.691 20 30 CDEDLO CCCNC(=O)C[N@@H+](CCC)Cc1cccc(C#N)n1 ZINC000602447987 344434042 /nfs/dbraw/zinc/43/40/42/344434042.db2.gz JLCGKVWNFSXICQ-UHFFFAOYSA-N 1 2 274.368 1.691 20 30 CDEDLO N#C[C@@]1(F)CCN(Cc2cc3c(c[nH+]2)OCCO3)C1 ZINC000602630440 344505855 /nfs/dbraw/zinc/50/58/55/344505855.db2.gz PNYUCRMGEZRQLI-ZDUSSCGKSA-N 1 2 263.272 1.290 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cccc3nccn32)CC1 ZINC000602748629 344562569 /nfs/dbraw/zinc/56/25/69/344562569.db2.gz OIZQEPXYRQCOJI-UHFFFAOYSA-N 1 2 269.352 1.366 20 30 CDEDLO Cc1cc(C[NH+]2CCN(CCC#N)CC2)sn1 ZINC000602749157 344566734 /nfs/dbraw/zinc/56/67/34/344566734.db2.gz YZKDKRLDJFKGHJ-UHFFFAOYSA-N 1 2 250.371 1.483 20 30 CDEDLO C[C@H](CS(C)(=O)=O)[N@H+](CC1(CC#N)CC1)C1CC1 ZINC000602782833 344597570 /nfs/dbraw/zinc/59/75/70/344597570.db2.gz AOEHNSBSEXDZSU-LLVKDONJSA-N 1 2 270.398 1.578 20 30 CDEDLO C[C@H](CS(C)(=O)=O)[N@@H+](CC1(CC#N)CC1)C1CC1 ZINC000602782833 344597572 /nfs/dbraw/zinc/59/75/72/344597572.db2.gz AOEHNSBSEXDZSU-LLVKDONJSA-N 1 2 270.398 1.578 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1CC1(CC#N)CC1 ZINC000602822243 344610299 /nfs/dbraw/zinc/61/02/99/344610299.db2.gz ZPXLSEYZINJNNR-NEPJUHHUSA-N 1 2 250.342 1.954 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1CC1(CC#N)CC1 ZINC000602822243 344610301 /nfs/dbraw/zinc/61/03/01/344610301.db2.gz ZPXLSEYZINJNNR-NEPJUHHUSA-N 1 2 250.342 1.954 20 30 CDEDLO COC(=O)c1sccc1NC(=O)C[NH2+][C@@H](C)CC#N ZINC000602864692 344638354 /nfs/dbraw/zinc/63/83/54/344638354.db2.gz SORLKDFPTNAGMP-QMMMGPOBSA-N 1 2 281.337 1.365 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NC(=O)NC1CCCCC1 ZINC000602867989 344639381 /nfs/dbraw/zinc/63/93/81/344639381.db2.gz GMLPSEDDFDKOBL-SNVBAGLBSA-N 1 2 266.345 1.037 20 30 CDEDLO CN1CCC[C@H](NC(=O)Cc2cn3ccccc3[nH+]2)C1=O ZINC000330108915 530060135 /nfs/dbraw/zinc/06/01/35/530060135.db2.gz OJVAPTKOGMTGGT-LBPRGKRZSA-N 1 2 286.335 1.454 20 30 CDEDLO CC[N@H+](CCN1C[C@@H](C)O[C@@H](C)C1)C[C@H](C)C#N ZINC000313793721 344908426 /nfs/dbraw/zinc/90/84/26/344908426.db2.gz HJDCJWUPEFEEGD-MCIONIFRSA-N 1 2 253.390 1.577 20 30 CDEDLO CC[N@@H+](CCN1C[C@@H](C)O[C@@H](C)C1)C[C@H](C)C#N ZINC000313793721 344908427 /nfs/dbraw/zinc/90/84/27/344908427.db2.gz HJDCJWUPEFEEGD-MCIONIFRSA-N 1 2 253.390 1.577 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635766429 362526536 /nfs/dbraw/zinc/52/65/36/362526536.db2.gz MZRSXBBRTLLOOB-GFCCVEGCSA-N 1 2 273.336 1.557 20 30 CDEDLO CCC(C#N)(CC)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000382540421 345202856 /nfs/dbraw/zinc/20/28/56/345202856.db2.gz DDSXCVXEFOYFJJ-AWEZNQCLSA-N 1 2 293.411 1.640 20 30 CDEDLO C=CCOC[C@@H]([NH2+]C1CCC(COC)CC1)C(=O)OC ZINC000449298163 362643242 /nfs/dbraw/zinc/64/32/42/362643242.db2.gz GHDLXMJAZULVOS-JXQTWKCFSA-N 1 2 285.384 1.525 20 30 CDEDLO C=CCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000617615424 345878295 /nfs/dbraw/zinc/87/82/95/345878295.db2.gz LKNIMALNZCFRDQ-UHFFFAOYSA-N 1 2 274.364 1.825 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617725158 345930524 /nfs/dbraw/zinc/93/05/24/345930524.db2.gz IEECCIHEYWOGAQ-IJEWVQPXSA-N 1 2 298.427 1.441 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617725158 345930525 /nfs/dbraw/zinc/93/05/25/345930525.db2.gz IEECCIHEYWOGAQ-IJEWVQPXSA-N 1 2 298.427 1.441 20 30 CDEDLO C[N@H+](Cc1cn[nH]c1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000610487358 346292504 /nfs/dbraw/zinc/29/25/04/346292504.db2.gz JDULADPDVOYYDQ-OAHLLOKOSA-N 1 2 295.346 1.519 20 30 CDEDLO C[N@@H+](Cc1cn[nH]c1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000610487358 346292509 /nfs/dbraw/zinc/29/25/09/346292509.db2.gz JDULADPDVOYYDQ-OAHLLOKOSA-N 1 2 295.346 1.519 20 30 CDEDLO CN(C)c1nc(C[NH2+]C[C@@H](C#N)CCC#N)cs1 ZINC000610480878 346290270 /nfs/dbraw/zinc/29/02/70/346290270.db2.gz ULPZSDBJQBBVCB-SNVBAGLBSA-N 1 2 263.370 1.742 20 30 CDEDLO CC[N@@H+]1CCN(C(=O)c2ccc(C#N)s2)C[C@H]1C ZINC000611087429 346602149 /nfs/dbraw/zinc/60/21/49/346602149.db2.gz GKCITTKIHMXJEY-SNVBAGLBSA-N 1 2 263.366 1.786 20 30 CDEDLO CC[N@H+]1CCN(C(=O)c2ccc(C#N)s2)C[C@H]1C ZINC000611087429 346602154 /nfs/dbraw/zinc/60/21/54/346602154.db2.gz GKCITTKIHMXJEY-SNVBAGLBSA-N 1 2 263.366 1.786 20 30 CDEDLO N#Cc1cc(CN2CC[NH+](Cc3ccncc3)CC2)ccn1 ZINC000611244598 346717617 /nfs/dbraw/zinc/71/76/17/346717617.db2.gz ODXYDBBCUCAVNF-UHFFFAOYSA-N 1 2 293.374 1.666 20 30 CDEDLO COc1ccc[nH+]c1N1CCN(c2cnccc2C#N)CC1 ZINC000611281156 346735056 /nfs/dbraw/zinc/73/50/56/346735056.db2.gz MZNDXIKEPZFSIR-UHFFFAOYSA-N 1 2 295.346 1.683 20 30 CDEDLO C=CCNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000060562780 347449899 /nfs/dbraw/zinc/44/98/99/347449899.db2.gz PVJVVEFYZDLJCM-UHFFFAOYSA-N 1 2 298.346 1.828 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000086233370 179254702 /nfs/dbraw/zinc/25/47/02/179254702.db2.gz BRPXSFCIRSMLGF-LLVKDONJSA-N 1 2 291.351 1.817 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000086233370 179254704 /nfs/dbraw/zinc/25/47/04/179254704.db2.gz BRPXSFCIRSMLGF-LLVKDONJSA-N 1 2 291.351 1.817 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccsc1 ZINC000564872909 348445730 /nfs/dbraw/zinc/44/57/30/348445730.db2.gz XNVZLCIRVZJNQN-LBPRGKRZSA-N 1 2 251.355 1.251 20 30 CDEDLO C=CC[N@H+](CC(=O)NC(=O)NC1CC1)Cc1cccs1 ZINC000016395459 348527628 /nfs/dbraw/zinc/52/76/28/348527628.db2.gz XKWLUQTVWJGDNA-UHFFFAOYSA-N 1 2 293.392 1.724 20 30 CDEDLO C=CC[N@@H+](CC(=O)NC(=O)NC1CC1)Cc1cccs1 ZINC000016395459 348527630 /nfs/dbraw/zinc/52/76/30/348527630.db2.gz XKWLUQTVWJGDNA-UHFFFAOYSA-N 1 2 293.392 1.724 20 30 CDEDLO N#Cc1c[nH]c(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)c1 ZINC000273958946 192378850 /nfs/dbraw/zinc/37/88/50/192378850.db2.gz UFNVMDBRGQHEDH-LBPRGKRZSA-N 1 2 285.307 1.472 20 30 CDEDLO N#Cc1c[nH]c(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)c1 ZINC000273958946 192378851 /nfs/dbraw/zinc/37/88/51/192378851.db2.gz UFNVMDBRGQHEDH-LBPRGKRZSA-N 1 2 285.307 1.472 20 30 CDEDLO C[N@@H+](Cc1ncc[nH]1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000616012912 349241400 /nfs/dbraw/zinc/24/14/00/349241400.db2.gz BLTHWWWPRGEGRR-ZDUSSCGKSA-N 1 2 286.335 1.153 20 30 CDEDLO C[N@H+](Cc1ncc[nH]1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000616012912 349241404 /nfs/dbraw/zinc/24/14/04/349241404.db2.gz BLTHWWWPRGEGRR-ZDUSSCGKSA-N 1 2 286.335 1.153 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000616012912 349241408 /nfs/dbraw/zinc/24/14/08/349241408.db2.gz BLTHWWWPRGEGRR-ZDUSSCGKSA-N 1 2 286.335 1.153 20 30 CDEDLO N#Cc1cccc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000109768482 186272637 /nfs/dbraw/zinc/27/26/37/186272637.db2.gz TZDVXFCGQGVIIB-HNNXBMFYSA-N 1 2 290.388 1.710 20 30 CDEDLO N#Cc1cccc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000109768482 186272639 /nfs/dbraw/zinc/27/26/39/186272639.db2.gz TZDVXFCGQGVIIB-HNNXBMFYSA-N 1 2 290.388 1.710 20 30 CDEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC=C(F)C2)cc1 ZINC000271596473 191231849 /nfs/dbraw/zinc/23/18/49/191231849.db2.gz HOXXIAMSXQQCIF-AWEZNQCLSA-N 1 2 276.311 1.857 20 30 CDEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC=C(F)C2)cc1 ZINC000271596473 191231853 /nfs/dbraw/zinc/23/18/53/191231853.db2.gz HOXXIAMSXQQCIF-AWEZNQCLSA-N 1 2 276.311 1.857 20 30 CDEDLO C=CCNC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153262987 188073374 /nfs/dbraw/zinc/07/33/74/188073374.db2.gz PDFXIWZUEFREEI-UHFFFAOYSA-N 1 2 289.335 1.861 20 30 CDEDLO C=CCNC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153262987 188073375 /nfs/dbraw/zinc/07/33/75/188073375.db2.gz PDFXIWZUEFREEI-UHFFFAOYSA-N 1 2 289.335 1.861 20 30 CDEDLO CCc1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccn1C ZINC000518382819 260393097 /nfs/dbraw/zinc/39/30/97/260393097.db2.gz DJWNUUTVXNGLOM-AWEZNQCLSA-N 1 2 262.357 1.161 20 30 CDEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC(F)(C#N)CC1 ZINC000352484750 363530970 /nfs/dbraw/zinc/53/09/70/363530970.db2.gz SUPDNCJKDDCLPY-NSHDSACASA-N 1 2 267.348 1.761 20 30 CDEDLO CC#CC[C@H](CO)NC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000636111271 363534480 /nfs/dbraw/zinc/53/44/80/363534480.db2.gz KHFSGXQMJYHWMC-CYBMUJFWSA-N 1 2 271.320 1.147 20 30 CDEDLO C[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)C[C@H](C)[S@@]1=O ZINC000331141224 356713001 /nfs/dbraw/zinc/71/30/01/356713001.db2.gz FGDSTRMIEJUKNN-NXCRSVRDSA-N 1 2 292.404 1.778 20 30 CDEDLO C[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)C[C@H](C)[S@@]1=O ZINC000331141224 356713003 /nfs/dbraw/zinc/71/30/03/356713003.db2.gz FGDSTRMIEJUKNN-NXCRSVRDSA-N 1 2 292.404 1.778 20 30 CDEDLO CCc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000584048546 356854896 /nfs/dbraw/zinc/85/48/96/356854896.db2.gz VLLWMSCJSRNWEB-OAHLLOKOSA-N 1 2 261.369 1.867 20 30 CDEDLO CCc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000584048546 356854901 /nfs/dbraw/zinc/85/49/01/356854901.db2.gz VLLWMSCJSRNWEB-OAHLLOKOSA-N 1 2 261.369 1.867 20 30 CDEDLO CCN(CCC#N)C(=O)CSc1nc(N)cc(C)[nH+]1 ZINC000048597358 356967142 /nfs/dbraw/zinc/96/71/42/356967142.db2.gz IBQZEXJOODOKEK-UHFFFAOYSA-N 1 2 279.369 1.222 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000299226680 356985821 /nfs/dbraw/zinc/98/58/21/356985821.db2.gz IZFDNQXJRYIREN-CYBMUJFWSA-N 1 2 288.778 1.913 20 30 CDEDLO CC1(C)CC(=O)C(=CNNc2cncc[nH+]2)C(=O)C1 ZINC000045089208 357119892 /nfs/dbraw/zinc/11/98/92/357119892.db2.gz HGALQKXPAGNOBF-UHFFFAOYSA-N 1 2 260.297 1.235 20 30 CDEDLO C[C@@H]1CCN(C(=O)c2ccc(C#N)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000126003431 357352030 /nfs/dbraw/zinc/35/20/30/357352030.db2.gz GSSJJRWXVSUVTK-DOMZBBRYSA-N 1 2 295.346 1.873 20 30 CDEDLO NC(CCO)=[NH+]OCc1cn2cc(Cl)ccc2n1 ZINC000186789265 357690721 /nfs/dbraw/zinc/69/07/21/357690721.db2.gz SSNTYMAAHUZBRB-UHFFFAOYSA-N 1 2 268.704 1.159 20 30 CDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)C[C@H](C)[N@H+]1C ZINC000135262412 357824811 /nfs/dbraw/zinc/82/48/11/357824811.db2.gz PFMYTUZFYIJJMX-TXEJJXNPSA-N 1 2 293.392 1.271 20 30 CDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)C[C@H](C)[N@@H+]1C ZINC000135262412 357824815 /nfs/dbraw/zinc/82/48/15/357824815.db2.gz PFMYTUZFYIJJMX-TXEJJXNPSA-N 1 2 293.392 1.271 20 30 CDEDLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000337439081 358037702 /nfs/dbraw/zinc/03/77/02/358037702.db2.gz FDKZNMZJKUTWHF-CYBMUJFWSA-N 1 2 264.350 1.177 20 30 CDEDLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000337439081 358037704 /nfs/dbraw/zinc/03/77/04/358037704.db2.gz FDKZNMZJKUTWHF-CYBMUJFWSA-N 1 2 264.350 1.177 20 30 CDEDLO Cc1ccn2cc(CNC(=O)c3ccc(C#N)[nH]3)[nH+]c2c1 ZINC000337428836 358038458 /nfs/dbraw/zinc/03/84/58/358038458.db2.gz FNGJECMJCQEZNN-UHFFFAOYSA-N 1 2 279.303 1.773 20 30 CDEDLO N#C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC000493481970 366401538 /nfs/dbraw/zinc/40/15/38/366401538.db2.gz ACWJZXPSKPVBTP-SZZPACECSA-N 1 2 270.267 1.943 20 30 CDEDLO CC(C)O[C@@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000566676126 358326734 /nfs/dbraw/zinc/32/67/34/358326734.db2.gz CPOQWOCXYPBRGJ-HUUCEWRRSA-N 1 2 287.363 1.584 20 30 CDEDLO CC(C)O[C@@H]1CC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000566676126 358326738 /nfs/dbraw/zinc/32/67/38/358326738.db2.gz CPOQWOCXYPBRGJ-HUUCEWRRSA-N 1 2 287.363 1.584 20 30 CDEDLO C#CC[N@@H+](CC)Cc1nc(-c2cc(C)ccn2)no1 ZINC000294895941 199237475 /nfs/dbraw/zinc/23/74/75/199237475.db2.gz GQKQOWFKQALTRQ-UHFFFAOYSA-N 1 2 256.309 1.895 20 30 CDEDLO C#CC[N@H+](CC)Cc1nc(-c2cc(C)ccn2)no1 ZINC000294895941 199237477 /nfs/dbraw/zinc/23/74/77/199237477.db2.gz GQKQOWFKQALTRQ-UHFFFAOYSA-N 1 2 256.309 1.895 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)Nc1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000357327653 358766085 /nfs/dbraw/zinc/76/60/85/358766085.db2.gz JSFOZIYVMYQEDQ-VIFPVBQESA-N 1 2 286.295 1.746 20 30 CDEDLO COCC[C@H]1COCC[N@@H+]1Cc1ccccc1C#N ZINC000291160910 358887246 /nfs/dbraw/zinc/88/72/46/358887246.db2.gz CJZIXRXREDSRLA-HNNXBMFYSA-N 1 2 260.337 1.796 20 30 CDEDLO COCC[C@H]1COCC[N@H+]1Cc1ccccc1C#N ZINC000291160910 358887251 /nfs/dbraw/zinc/88/72/51/358887251.db2.gz CJZIXRXREDSRLA-HNNXBMFYSA-N 1 2 260.337 1.796 20 30 CDEDLO Cn1cc(C[N@H+](C)CC(=O)Nc2sccc2C#N)cn1 ZINC000014191833 358917749 /nfs/dbraw/zinc/91/77/49/358917749.db2.gz FNRUIDCSRBBWEP-UHFFFAOYSA-N 1 2 289.364 1.424 20 30 CDEDLO Cn1cc(C[N@@H+](C)CC(=O)Nc2sccc2C#N)cn1 ZINC000014191833 358917751 /nfs/dbraw/zinc/91/77/51/358917751.db2.gz FNRUIDCSRBBWEP-UHFFFAOYSA-N 1 2 289.364 1.424 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000494225561 366503352 /nfs/dbraw/zinc/50/33/52/366503352.db2.gz AVBLAKFCCGQLSJ-DZGCQCFKSA-N 1 2 293.411 1.600 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000494225561 366503357 /nfs/dbraw/zinc/50/33/57/366503357.db2.gz AVBLAKFCCGQLSJ-DZGCQCFKSA-N 1 2 293.411 1.600 20 30 CDEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](O)C1 ZINC000265036570 359322931 /nfs/dbraw/zinc/32/29/31/359322931.db2.gz MCTREAMULYKXTK-GFCCVEGCSA-N 1 2 292.404 1.970 20 30 CDEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC000265036570 359322935 /nfs/dbraw/zinc/32/29/35/359322935.db2.gz MCTREAMULYKXTK-GFCCVEGCSA-N 1 2 292.404 1.970 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](O)C2)c1C ZINC000265624927 359332002 /nfs/dbraw/zinc/33/20/02/359332002.db2.gz IIKJYOOMEAUTCD-AWEZNQCLSA-N 1 2 276.380 1.930 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](O)C2)c1C ZINC000265624927 359332006 /nfs/dbraw/zinc/33/20/06/359332006.db2.gz IIKJYOOMEAUTCD-AWEZNQCLSA-N 1 2 276.380 1.930 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccccc1C(=O)OC ZINC000266921303 359345538 /nfs/dbraw/zinc/34/55/38/359345538.db2.gz LYOUMDCQPIMUSW-UHFFFAOYSA-N 1 2 274.320 1.367 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccccc1C(=O)OC ZINC000266921303 359345541 /nfs/dbraw/zinc/34/55/41/359345541.db2.gz LYOUMDCQPIMUSW-UHFFFAOYSA-N 1 2 274.320 1.367 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2oc(C)cc2C)CC1 ZINC000267200347 359349362 /nfs/dbraw/zinc/34/93/62/359349362.db2.gz FEZPBYUKIARMEB-UHFFFAOYSA-N 1 2 260.337 1.678 20 30 CDEDLO C=CCCOCCNc1[nH+]cnc(-n2cccn2)c1N ZINC000270092435 359389769 /nfs/dbraw/zinc/38/97/69/359389769.db2.gz ACOFBHGGXRQNHA-UHFFFAOYSA-N 1 2 274.328 1.249 20 30 CDEDLO C#CCC(C)(C)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000274268479 359495188 /nfs/dbraw/zinc/49/51/88/359495188.db2.gz GGNFZDBCQNSELY-UHFFFAOYSA-N 1 2 274.364 1.973 20 30 CDEDLO C[C@H](CNC(=O)CNc1cccc(C#N)c1)Cn1cc[nH+]c1 ZINC000161606415 237205169 /nfs/dbraw/zinc/20/51/69/237205169.db2.gz XEHUZGPNJXHRIQ-CYBMUJFWSA-N 1 2 297.362 1.619 20 30 CDEDLO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CCC#N ZINC000495772127 366539014 /nfs/dbraw/zinc/53/90/14/366539014.db2.gz WIROBPSRKZMVBW-LBPRGKRZSA-N 1 2 253.346 1.843 20 30 CDEDLO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CCC#N ZINC000495772127 366539023 /nfs/dbraw/zinc/53/90/23/366539023.db2.gz WIROBPSRKZMVBW-LBPRGKRZSA-N 1 2 253.346 1.843 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@](O)(C(F)(F)F)C2)C1=O ZINC000337184350 360029447 /nfs/dbraw/zinc/02/94/47/360029447.db2.gz NSHYZFJVJQFZIY-CMPLNLGQSA-N 1 2 292.301 1.163 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@](O)(C(F)(F)F)C2)C1=O ZINC000337184350 360029451 /nfs/dbraw/zinc/02/94/51/360029451.db2.gz NSHYZFJVJQFZIY-CMPLNLGQSA-N 1 2 292.301 1.163 20 30 CDEDLO C=CCn1c(C(C)C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000337869914 360473276 /nfs/dbraw/zinc/47/32/76/360473276.db2.gz UFVZOJIEUNTFDO-UHFFFAOYSA-N 1 2 293.415 1.356 20 30 CDEDLO N#CCC[NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000515639634 360523247 /nfs/dbraw/zinc/52/32/47/360523247.db2.gz XBXTVPYVFSHBOH-CYBMUJFWSA-N 1 2 258.325 1.076 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2c(F)cccc2F)CC1 ZINC000086191617 360614136 /nfs/dbraw/zinc/61/41/36/360614136.db2.gz DKRDSDGBJVEQLN-UHFFFAOYSA-N 1 2 293.317 1.154 20 30 CDEDLO Cc1sc(NC(=O)C[N@@H+](C)[C@@H]2CCOC2)c(C#N)c1C ZINC000267413091 360793155 /nfs/dbraw/zinc/79/31/55/360793155.db2.gz UPUZNZQQRFGGOR-LLVKDONJSA-N 1 2 293.392 1.896 20 30 CDEDLO Cc1sc(NC(=O)C[N@H+](C)[C@@H]2CCOC2)c(C#N)c1C ZINC000267413091 360793159 /nfs/dbraw/zinc/79/31/59/360793159.db2.gz UPUZNZQQRFGGOR-LLVKDONJSA-N 1 2 293.392 1.896 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000429570286 360858959 /nfs/dbraw/zinc/85/89/59/360858959.db2.gz OIVLOOQEQLTJTG-BFUOFWGJSA-N 1 2 286.441 1.254 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000429570286 360858960 /nfs/dbraw/zinc/85/89/60/360858960.db2.gz OIVLOOQEQLTJTG-BFUOFWGJSA-N 1 2 286.441 1.254 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CCO1 ZINC000179803592 189220932 /nfs/dbraw/zinc/22/09/32/189220932.db2.gz NXRSHULKZPYZTA-JTQLQIEISA-N 1 2 252.339 1.467 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CCO1 ZINC000179803592 189220933 /nfs/dbraw/zinc/22/09/33/189220933.db2.gz NXRSHULKZPYZTA-JTQLQIEISA-N 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/nfs/dbraw/zinc/49/68/34/361496834.db2.gz QVKUGZREMZJOHR-GFCCVEGCSA-N 1 2 278.356 1.005 20 30 CDEDLO COc1cc(C[NH2+][C@H](C)c2ncn(C)n2)ccc1C#N ZINC000281654161 239110126 /nfs/dbraw/zinc/11/01/26/239110126.db2.gz KGUHIFYOWRIMHD-SNVBAGLBSA-N 1 2 271.324 1.546 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)cc1 ZINC000367599442 364000762 /nfs/dbraw/zinc/00/07/62/364000762.db2.gz HKBWQIUXXWPDDP-HZPDHXFCSA-N 1 2 272.348 1.938 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)cc1 ZINC000367599442 364000765 /nfs/dbraw/zinc/00/07/65/364000765.db2.gz HKBWQIUXXWPDDP-HZPDHXFCSA-N 1 2 272.348 1.938 20 30 CDEDLO N#CCC[N@@H+](CC[C@@H]1CCNC1=O)Cc1ccccn1 ZINC000570823077 364015346 /nfs/dbraw/zinc/01/53/46/364015346.db2.gz HNUYRYNDXOCPTL-ZDUSSCGKSA-N 1 2 272.352 1.323 20 30 CDEDLO N#CCC[N@H+](CC[C@@H]1CCNC1=O)Cc1ccccn1 ZINC000570823077 364015354 /nfs/dbraw/zinc/01/53/54/364015354.db2.gz HNUYRYNDXOCPTL-ZDUSSCGKSA-N 1 2 272.352 1.323 20 30 CDEDLO CC1(C)C[C@@]1(C#N)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000570901834 364098416 /nfs/dbraw/zinc/09/84/16/364098416.db2.gz UBWNLAPHTQZKPH-OTYXRUKQSA-N 1 2 258.325 1.638 20 30 CDEDLO CC1(C)C[C@@]1(C#N)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000570901834 364098423 /nfs/dbraw/zinc/09/84/23/364098423.db2.gz UBWNLAPHTQZKPH-OTYXRUKQSA-N 1 2 258.325 1.638 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2ncc(C)o2)nn1 ZINC000641140034 365096495 /nfs/dbraw/zinc/09/64/95/365096495.db2.gz KATGEXDMBOSLGJ-NSHDSACASA-N 1 2 259.313 1.297 20 30 CDEDLO CC[C@@H](C(=O)N(C)CC(C)(C)C#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000353230623 365077162 /nfs/dbraw/zinc/07/71/62/365077162.db2.gz GBPCCAXTLCLHEN-KGLIPLIRSA-N 1 2 295.427 1.884 20 30 CDEDLO CC[C@@H](C(=O)N(C)CC(C)(C)C#N)[N@H+]1CCO[C@H](CC)C1 ZINC000353230623 365077164 /nfs/dbraw/zinc/07/71/64/365077164.db2.gz GBPCCAXTLCLHEN-KGLIPLIRSA-N 1 2 295.427 1.884 20 30 CDEDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C#N)cc1OC ZINC000121625126 367042547 /nfs/dbraw/zinc/04/25/47/367042547.db2.gz WXZCTQGYOHARSS-CQSZACIVSA-N 1 2 287.363 1.667 20 30 CDEDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C#N)cc1OC ZINC000121625126 367042552 /nfs/dbraw/zinc/04/25/52/367042552.db2.gz WXZCTQGYOHARSS-CQSZACIVSA-N 1 2 287.363 1.667 20 30 CDEDLO C=CCN(CCOC)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000358271549 367562858 /nfs/dbraw/zinc/56/28/58/367562858.db2.gz FSIAEDPKVVIRHB-UHFFFAOYSA-N 1 2 288.351 1.678 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1cnn(C)c1 ZINC000126925997 368344541 /nfs/dbraw/zinc/34/45/41/368344541.db2.gz KGZKKUJXKDPHJD-CYBMUJFWSA-N 1 2 276.384 1.441 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1cnn(C)c1 ZINC000126925997 368344548 /nfs/dbraw/zinc/34/45/48/368344548.db2.gz KGZKKUJXKDPHJD-CYBMUJFWSA-N 1 2 276.384 1.441 20 30 CDEDLO C=CCN1CC[C@H](N(C)c2nc(N)c3ccccc3[nH+]2)C1=O ZINC000540973723 368583549 /nfs/dbraw/zinc/58/35/49/368583549.db2.gz LTLPYUAWKGGZMQ-ZDUSSCGKSA-N 1 2 297.362 1.265 20 30 CDEDLO CC#CCCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000361233055 368703731 /nfs/dbraw/zinc/70/37/31/368703731.db2.gz SLGHOLAZTPKSEV-UHFFFAOYSA-N 1 2 286.379 1.894 20 30 CDEDLO N#Cc1cccc(CN2CC[NH+](CC(N)=O)CC2)c1F ZINC000330608223 203031307 /nfs/dbraw/zinc/03/13/07/203031307.db2.gz MPAUWYFAOVCAOY-UHFFFAOYSA-N 1 2 276.315 1.350 20 30 CDEDLO C[N@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1COC[C@H]1O ZINC000330608479 203032521 /nfs/dbraw/zinc/03/25/21/203032521.db2.gz MUDULNLWMRUKEY-CHWSQXEVSA-N 1 2 266.728 1.403 20 30 CDEDLO C[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1COC[C@H]1O ZINC000330608479 203032525 /nfs/dbraw/zinc/03/25/25/203032525.db2.gz MUDULNLWMRUKEY-CHWSQXEVSA-N 1 2 266.728 1.403 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C#N)cc1 ZINC000330617558 203044643 /nfs/dbraw/zinc/04/46/43/203044643.db2.gz GITBTVOVLJYBDT-LBPRGKRZSA-N 1 2 273.336 1.009 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(C#N)cc1 ZINC000330617558 203044646 /nfs/dbraw/zinc/04/46/46/203044646.db2.gz GITBTVOVLJYBDT-LBPRGKRZSA-N 1 2 273.336 1.009 20 30 CDEDLO N#CCNC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130911154 368952073 /nfs/dbraw/zinc/95/20/73/368952073.db2.gz SUYRDABNGADHEO-UHFFFAOYSA-N 1 2 288.307 1.199 20 30 CDEDLO N#CCNC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130911154 368952077 /nfs/dbraw/zinc/95/20/77/368952077.db2.gz SUYRDABNGADHEO-UHFFFAOYSA-N 1 2 288.307 1.199 20 30 CDEDLO Cc1cccn2cc(CC(=O)N[C@H](C#N)C(C)C)[nH+]c12 ZINC000545303902 369195686 /nfs/dbraw/zinc/19/56/86/369195686.db2.gz MGZQXSGMQVAHJZ-CYBMUJFWSA-N 1 2 270.336 1.850 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000172616056 372407797 /nfs/dbraw/zinc/40/77/97/372407797.db2.gz WKDHQMOIAUEYKN-WDEREUQCSA-N 1 2 273.340 1.071 20 30 CDEDLO Cc1noc([C@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)cc2)n1 ZINC000348096217 372995582 /nfs/dbraw/zinc/99/55/82/372995582.db2.gz PNAJLUNGTGDHDF-JTQLQIEISA-N 1 2 299.334 1.929 20 30 CDEDLO C#CC[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191301858 373476839 /nfs/dbraw/zinc/47/68/39/373476839.db2.gz WUSSPLFWUPDOQD-UHFFFAOYSA-N 1 2 290.314 1.702 20 30 CDEDLO C#CC[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191301858 373476848 /nfs/dbraw/zinc/47/68/48/373476848.db2.gz WUSSPLFWUPDOQD-UHFFFAOYSA-N 1 2 290.314 1.702 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CCC(F)(F)F ZINC000063562088 373648685 /nfs/dbraw/zinc/64/86/85/373648685.db2.gz MXXAAFFFUFZDBH-NSHDSACASA-N 1 2 279.306 1.925 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CCC(F)(F)F ZINC000063562088 373648691 /nfs/dbraw/zinc/64/86/91/373648691.db2.gz MXXAAFFFUFZDBH-NSHDSACASA-N 1 2 279.306 1.925 20 30 CDEDLO COCC[NH+]1CCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000192525560 373618399 /nfs/dbraw/zinc/61/83/99/373618399.db2.gz RDYPVOQOFDTJAO-UHFFFAOYSA-N 1 2 287.363 1.157 20 30 CDEDLO C#CCOCCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000366741703 373854036 /nfs/dbraw/zinc/85/40/36/373854036.db2.gz XTNNEPWGHHVTKK-GFCCVEGCSA-N 1 2 261.325 1.156 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000584527917 373942329 /nfs/dbraw/zinc/94/23/29/373942329.db2.gz PAKGSAAUAFSLEZ-OAHLLOKOSA-N 1 2 278.396 1.688 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000584527917 373942338 /nfs/dbraw/zinc/94/23/38/373942338.db2.gz PAKGSAAUAFSLEZ-OAHLLOKOSA-N 1 2 278.396 1.688 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000289522279 197389212 /nfs/dbraw/zinc/38/92/12/197389212.db2.gz MQMCOIFXBFAAKN-QGZVFWFLSA-N 1 2 299.374 1.875 20 30 CDEDLO N#Cc1ccc(NCc2ccc(N3CCCC3)[nH+]c2)nc1N ZINC000515500710 374129342 /nfs/dbraw/zinc/12/93/42/374129342.db2.gz YOTDCJGGIGBNHL-UHFFFAOYSA-N 1 2 294.362 1.565 20 30 CDEDLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1O ZINC000351812905 374279431 /nfs/dbraw/zinc/27/94/31/374279431.db2.gz FJNLMUGHDUYXSX-YUSALJHKSA-N 1 2 291.376 1.038 20 30 CDEDLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1O ZINC000351812905 374279443 /nfs/dbraw/zinc/27/94/43/374279443.db2.gz FJNLMUGHDUYXSX-YUSALJHKSA-N 1 2 291.376 1.038 20 30 CDEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCc3n[nH]nc3C2)cc1 ZINC000351615009 374263476 /nfs/dbraw/zinc/26/34/76/374263476.db2.gz KEMOQXRXTUUGIB-UHFFFAOYSA-N 1 2 296.334 1.063 20 30 CDEDLO C[C@H]1C[N@H+](CCNc2c(C#N)cnc3ccccc32)CCO1 ZINC000525193351 374307035 /nfs/dbraw/zinc/30/70/35/374307035.db2.gz KKWMUSMFPYALQJ-ZDUSSCGKSA-N 1 2 296.374 1.661 20 30 CDEDLO C[C@H]1C[N@@H+](CCNc2c(C#N)cnc3ccccc32)CCO1 ZINC000525193351 374307043 /nfs/dbraw/zinc/30/70/43/374307043.db2.gz KKWMUSMFPYALQJ-ZDUSSCGKSA-N 1 2 296.374 1.661 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](O)CC1 ZINC000293350640 374355482 /nfs/dbraw/zinc/35/54/82/374355482.db2.gz ZHXNRTULAYPWSJ-GJZGRUSLSA-N 1 2 288.347 1.619 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](O)CC1 ZINC000293350640 374355486 /nfs/dbraw/zinc/35/54/86/374355486.db2.gz ZHXNRTULAYPWSJ-GJZGRUSLSA-N 1 2 288.347 1.619 20 30 CDEDLO C[N@@H+]1CCN(C(=O)CSCC#N)[C@@H](c2ccccc2)C1 ZINC000041777461 374768657 /nfs/dbraw/zinc/76/86/57/374768657.db2.gz FZQSIGCEKUYKDP-CQSZACIVSA-N 1 2 289.404 1.758 20 30 CDEDLO C[N@H+]1CCN(C(=O)CSCC#N)[C@@H](c2ccccc2)C1 ZINC000041777461 374768660 /nfs/dbraw/zinc/76/86/60/374768660.db2.gz FZQSIGCEKUYKDP-CQSZACIVSA-N 1 2 289.404 1.758 20 30 CDEDLO CC[N@H+](Cc1ccc(C#N)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000331110695 374890093 /nfs/dbraw/zinc/89/00/93/374890093.db2.gz LAJNDGGJNPVDDS-HNNXBMFYSA-N 1 2 292.404 1.876 20 30 CDEDLO CC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000331110695 374890094 /nfs/dbraw/zinc/89/00/94/374890094.db2.gz LAJNDGGJNPVDDS-HNNXBMFYSA-N 1 2 292.404 1.876 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000280666770 375010405 /nfs/dbraw/zinc/01/04/05/375010405.db2.gz PLVDAPBALGICEI-MNOVXSKESA-N 1 2 291.351 1.299 20 30 CDEDLO COC(=O)[C@H](C)[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000280738421 375018469 /nfs/dbraw/zinc/01/84/69/375018469.db2.gz MAHUROKKYFQUFL-GWCFXTLKSA-N 1 2 262.309 1.085 20 30 CDEDLO COC(=O)[C@H](C)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000280738421 375018474 /nfs/dbraw/zinc/01/84/74/375018474.db2.gz MAHUROKKYFQUFL-GWCFXTLKSA-N 1 2 262.309 1.085 20 30 CDEDLO CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@H](C)C#N ZINC000049000588 375389958 /nfs/dbraw/zinc/38/99/58/375389958.db2.gz GDEBYZXETARKKW-CYBMUJFWSA-N 1 2 275.356 1.124 20 30 CDEDLO CC[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@H](C)C#N ZINC000049000588 375389962 /nfs/dbraw/zinc/38/99/62/375389962.db2.gz GDEBYZXETARKKW-CYBMUJFWSA-N 1 2 275.356 1.124 20 30 CDEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCNC(=O)CC1 ZINC000328609363 375892398 /nfs/dbraw/zinc/89/23/98/375892398.db2.gz MSEYLDKDNQKHRD-NSHDSACASA-N 1 2 291.355 1.337 20 30 CDEDLO CC(C)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCOCC2)CC1=O ZINC000328678941 375925529 /nfs/dbraw/zinc/92/55/29/375925529.db2.gz MQESEJLXPIAOEU-LBPRGKRZSA-N 1 2 297.399 1.063 20 30 CDEDLO CCc1nc(CCNC(=O)C(C)(C)[NH+]2CCOCC2)no1 ZINC000328708678 375933856 /nfs/dbraw/zinc/93/38/56/375933856.db2.gz ZXSGYITWJXLKHV-UHFFFAOYSA-N 1 2 296.371 1.242 20 30 CDEDLO C[C@](O)(CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000328895504 376004721 /nfs/dbraw/zinc/00/47/21/376004721.db2.gz BKARZVIGTBKNJG-YGRLFVJLSA-N 1 2 263.341 1.563 20 30 CDEDLO CC[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)C[C@@H](C)C#N ZINC000250639734 377109280 /nfs/dbraw/zinc/10/92/80/377109280.db2.gz SJWUSUWHKHQBNB-SOUVJXGZSA-N 1 2 293.411 1.638 20 30 CDEDLO CC[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)C[C@@H](C)C#N ZINC000250639734 377109287 /nfs/dbraw/zinc/10/92/87/377109287.db2.gz SJWUSUWHKHQBNB-SOUVJXGZSA-N 1 2 293.411 1.638 20 30 CDEDLO CC#CC[NH2+][C@H](C(N)=O)c1ccc(Br)cc1F ZINC000135262240 378181586 /nfs/dbraw/zinc/18/15/86/378181586.db2.gz MBQYHQVPVDSPRC-NSHDSACASA-N 1 2 299.143 1.728 20 30 CDEDLO C#CCSCC[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000195072627 378506886 /nfs/dbraw/zinc/50/68/86/378506886.db2.gz SITDEHGOWIDNOQ-CYBMUJFWSA-N 1 2 272.377 1.850 20 30 CDEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000293350383 378568654 /nfs/dbraw/zinc/56/86/54/378568654.db2.gz ZFTAIADLOZJZND-GFCCVEGCSA-N 1 2 288.347 1.740 20 30 CDEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000293350383 378568665 /nfs/dbraw/zinc/56/86/65/378568665.db2.gz ZFTAIADLOZJZND-GFCCVEGCSA-N 1 2 288.347 1.740 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1conc1CC ZINC000293546621 378573702 /nfs/dbraw/zinc/57/37/02/378573702.db2.gz YQAVBMCNWPVOFT-SNVBAGLBSA-N 1 2 251.330 1.360 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1conc1CC ZINC000293546621 378573706 /nfs/dbraw/zinc/57/37/06/378573706.db2.gz YQAVBMCNWPVOFT-SNVBAGLBSA-N 1 2 251.330 1.360 20 30 CDEDLO C#CCCCCC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000185394694 378666881 /nfs/dbraw/zinc/66/68/81/378666881.db2.gz XZMPVBSMTNDQDH-UHFFFAOYSA-N 1 2 286.379 1.627 20 30 CDEDLO N#Cc1cc(F)ccc1CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173943359 379347791 /nfs/dbraw/zinc/34/77/91/379347791.db2.gz SFKBLVKKCPSDOL-INIZCTEOSA-N 1 2 289.354 1.604 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173943359 379347801 /nfs/dbraw/zinc/34/78/01/379347801.db2.gz SFKBLVKKCPSDOL-INIZCTEOSA-N 1 2 289.354 1.604 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173943359 379347809 /nfs/dbraw/zinc/34/78/09/379347809.db2.gz SFKBLVKKCPSDOL-INIZCTEOSA-N 1 2 289.354 1.604 20 30 CDEDLO N#Cc1cccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000174488926 379506991 /nfs/dbraw/zinc/50/69/91/379506991.db2.gz XSVWEKNLNQXBLL-MRXNPFEDSA-N 1 2 299.374 1.495 20 30 CDEDLO C[C@]1([NH2+]CCOc2ccc(C#N)cc2)CCOC1=O ZINC000289440895 197349395 /nfs/dbraw/zinc/34/93/95/197349395.db2.gz DSRLHLAJMVRSHW-AWEZNQCLSA-N 1 2 260.293 1.232 20 30 CDEDLO C=CC[N@@H+](CCCC(=O)OCC)[C@H]1CCS(=O)(=O)C1 ZINC000108871331 262065439 /nfs/dbraw/zinc/06/54/39/262065439.db2.gz UCXPKSZFQBOKOM-LBPRGKRZSA-N 1 2 289.397 1.005 20 30 CDEDLO C=CC[N@H+](CCCC(=O)OCC)[C@H]1CCS(=O)(=O)C1 ZINC000108871331 262065442 /nfs/dbraw/zinc/06/54/42/262065442.db2.gz UCXPKSZFQBOKOM-LBPRGKRZSA-N 1 2 289.397 1.005 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)/C=C\c2cccc(C#N)c2)CCO1 ZINC000492891178 253319354 /nfs/dbraw/zinc/31/93/54/253319354.db2.gz FPHMJWQCSUGCGY-GEXIGZQTSA-N 1 2 299.374 1.408 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)/C=C\c2cccc(C#N)c2)CCO1 ZINC000492891178 253319355 /nfs/dbraw/zinc/31/93/55/253319355.db2.gz FPHMJWQCSUGCGY-GEXIGZQTSA-N 1 2 299.374 1.408 20 30 CDEDLO Cc1cc(N2CC[C@@H](CN3CCOC3=O)C2)c(C#N)c[nH+]1 ZINC000497290314 254055952 /nfs/dbraw/zinc/05/59/52/254055952.db2.gz UAUGDIFKQCDUQB-GFCCVEGCSA-N 1 2 286.335 1.540 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N[C@H](C)CC)C1=O ZINC000281358353 195210216 /nfs/dbraw/zinc/21/02/16/195210216.db2.gz NPYDBOBJEBIATI-UPJWGTAASA-N 1 2 281.400 1.008 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N[C@H](C)CC)C1=O ZINC000281358353 195210218 /nfs/dbraw/zinc/21/02/18/195210218.db2.gz NPYDBOBJEBIATI-UPJWGTAASA-N 1 2 281.400 1.008 20 30 CDEDLO CCN(CCC#N)S(=O)(=O)NCCc1cccc(C)[nH+]1 ZINC000337149931 390682066 /nfs/dbraw/zinc/68/20/66/390682066.db2.gz IFSXPOUTDONOPG-UHFFFAOYSA-N 1 2 296.396 1.003 20 30 CDEDLO COc1cccc(/C=[NH+]/CCNC(=O)C(C)(C)C)c1O ZINC000121167719 390881447 /nfs/dbraw/zinc/88/14/47/390881447.db2.gz RJMXTBZXDJUGPR-MHWRWJLKSA-N 1 2 278.352 1.982 20 30 CDEDLO Cc1cc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)ccc1C#N ZINC000362967078 390876266 /nfs/dbraw/zinc/87/62/66/390876266.db2.gz OSDFAZROAYIONH-CQSZACIVSA-N 1 2 278.377 1.486 20 30 CDEDLO Cc1cc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)ccc1C#N ZINC000362967078 390876268 /nfs/dbraw/zinc/87/62/68/390876268.db2.gz OSDFAZROAYIONH-CQSZACIVSA-N 1 2 278.377 1.486 20 30 CDEDLO C[C@H](O[NH+]=C(N)CCO)c1nc(Cc2ccccc2)no1 ZINC000136067759 390940924 /nfs/dbraw/zinc/94/09/24/390940924.db2.gz HQFLEXWLFGUTBQ-JTQLQIEISA-N 1 2 290.323 1.393 20 30 CDEDLO CC1(C)CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H]1C#N ZINC000373084862 391105139 /nfs/dbraw/zinc/10/51/39/391105139.db2.gz VWGHXGOXQNRAIU-QWHCGFSZSA-N 1 2 286.379 1.986 20 30 CDEDLO CC(C)(C#N)c1nc([C@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000329639914 391056810 /nfs/dbraw/zinc/05/68/10/391056810.db2.gz ZGSWKABTEAJYTL-QMTHXVAHSA-N 1 2 276.340 1.797 20 30 CDEDLO CC(C)(C#N)c1nc([C@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000329639914 391056814 /nfs/dbraw/zinc/05/68/14/391056814.db2.gz ZGSWKABTEAJYTL-QMTHXVAHSA-N 1 2 276.340 1.797 20 30 CDEDLO N#CC1(F)CC[NH+](CC(=O)NCC2CCC2)CC1 ZINC000352459293 391148339 /nfs/dbraw/zinc/14/83/39/391148339.db2.gz WNVDQMFELYAPFX-UHFFFAOYSA-N 1 2 253.321 1.230 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000348929493 391120518 /nfs/dbraw/zinc/12/05/18/391120518.db2.gz VDZOBEGFUXEWIX-BHPKHCPMSA-N 1 2 281.400 1.539 20 30 CDEDLO C#C[C@H](NC(=O)N[C@@H](C)c1[nH+]ccn1CC)C(C)C ZINC000491464458 391138489 /nfs/dbraw/zinc/13/84/89/391138489.db2.gz RCLXUNVNNARMMG-RYUDHWBXSA-N 1 2 262.357 1.921 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)N1CCC(F)(C#N)CC1 ZINC000352442330 391140368 /nfs/dbraw/zinc/14/03/68/391140368.db2.gz OIUUTGHVFJOABC-LBPRGKRZSA-N 1 2 255.337 1.035 20 30 CDEDLO CCS(=O)(=O)NCC[N@H+](CCC#N)CCC(C)C ZINC000173548937 391109180 /nfs/dbraw/zinc/10/91/80/391109180.db2.gz BFCOWSUSWCLYBJ-UHFFFAOYSA-N 1 2 275.418 1.187 20 30 CDEDLO CCS(=O)(=O)NCC[N@@H+](CCC#N)CCC(C)C ZINC000173548937 391109181 /nfs/dbraw/zinc/10/91/81/391109181.db2.gz BFCOWSUSWCLYBJ-UHFFFAOYSA-N 1 2 275.418 1.187 20 30 CDEDLO C#C[C@H](NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)C(C)C ZINC000374279916 391157147 /nfs/dbraw/zinc/15/71/47/391157147.db2.gz MIBPGONWELKDHB-KBPBESRZSA-N 1 2 288.395 1.967 20 30 CDEDLO Cc1ccc(NC(=O)N2CCO[C@H](C#N)C2)c(C)[nH+]1 ZINC000176784940 391158393 /nfs/dbraw/zinc/15/83/93/391158393.db2.gz LLJLFGZDRKECSO-LLVKDONJSA-N 1 2 260.297 1.455 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCCCC[C@H]2C(=O)OC)C1=O ZINC000374158297 391151551 /nfs/dbraw/zinc/15/15/51/391151551.db2.gz CDPJADOLMUFJAI-OLZOCXBDSA-N 1 2 280.368 1.191 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCCCC[C@H]2C(=O)OC)C1=O ZINC000374158297 391151553 /nfs/dbraw/zinc/15/15/53/391151553.db2.gz CDPJADOLMUFJAI-OLZOCXBDSA-N 1 2 280.368 1.191 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000269566539 391251695 /nfs/dbraw/zinc/25/16/95/391251695.db2.gz MJWADNDZQFVGGQ-NWDGAFQWSA-N 1 2 288.351 1.815 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000269566539 391251702 /nfs/dbraw/zinc/25/17/02/391251702.db2.gz MJWADNDZQFVGGQ-NWDGAFQWSA-N 1 2 288.351 1.815 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)OCC ZINC000339221713 391271786 /nfs/dbraw/zinc/27/17/86/391271786.db2.gz JZJARITXWMPPIP-HUUCEWRRSA-N 1 2 296.411 1.337 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)OCC ZINC000339221713 391271791 /nfs/dbraw/zinc/27/17/91/391271791.db2.gz JZJARITXWMPPIP-HUUCEWRRSA-N 1 2 296.411 1.337 20 30 CDEDLO Cc1cccc2[nH+]c(CNC(=O)[C@@]3(C#N)C[C@H]3C)cn21 ZINC000335154181 391333303 /nfs/dbraw/zinc/33/33/03/391333303.db2.gz GZUUUAFOPMKDKL-MEBBXXQBSA-N 1 2 268.320 1.809 20 30 CDEDLO C=C(C)[C@H](CC(=O)N(C)Cc1[nH]cc[nH+]1)OCC ZINC000339373771 391291056 /nfs/dbraw/zinc/29/10/56/391291056.db2.gz OUFXHBDIPAMUAT-NSHDSACASA-N 1 2 251.330 1.739 20 30 CDEDLO C=CCCCCNC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000354286366 391413145 /nfs/dbraw/zinc/41/31/45/391413145.db2.gz QQTFKHPRMCWGGI-CYBMUJFWSA-N 1 2 253.390 1.095 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000339759395 391350317 /nfs/dbraw/zinc/35/03/17/391350317.db2.gz MMLJFUGQEFXQIW-MELADBBJSA-N 1 2 250.386 1.882 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000339759395 391350319 /nfs/dbraw/zinc/35/03/19/391350319.db2.gz MMLJFUGQEFXQIW-MELADBBJSA-N 1 2 250.386 1.882 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCc1cc(F)cc(F)c1 ZINC000339762067 391351621 /nfs/dbraw/zinc/35/16/21/391351621.db2.gz XTRWOBASUWGEAZ-UHFFFAOYSA-N 1 2 266.291 1.536 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCc1cc(F)cc(F)c1 ZINC000339762067 391351624 /nfs/dbraw/zinc/35/16/24/391351624.db2.gz XTRWOBASUWGEAZ-UHFFFAOYSA-N 1 2 266.291 1.536 20 30 CDEDLO Cc1c(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)nnn1C(C)C ZINC000328916493 391393329 /nfs/dbraw/zinc/39/33/29/391393329.db2.gz KFJBZNWIHVABOC-JTQLQIEISA-N 1 2 288.355 1.753 20 30 CDEDLO Cc1c(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)nnn1C(C)C ZINC000328916493 391393333 /nfs/dbraw/zinc/39/33/33/391393333.db2.gz KFJBZNWIHVABOC-JTQLQIEISA-N 1 2 288.355 1.753 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000354266427 391413017 /nfs/dbraw/zinc/41/30/17/391413017.db2.gz NNKHMVCENHFBJH-DOMZBBRYSA-N 1 2 272.352 1.716 20 30 CDEDLO Cc1[nH]c(C(=O)N[C@H](CO)CC2CCCC2)c[nH+]1 ZINC000330432885 391423050 /nfs/dbraw/zinc/42/30/50/391423050.db2.gz NEUVMOLGYXYMFU-NSHDSACASA-N 1 2 251.330 1.964 20 30 CDEDLO C[N@H+](CC(=O)NC(=O)NC(C)(C)C)Cc1ccoc1 ZINC000330549106 391440815 /nfs/dbraw/zinc/44/08/15/391440815.db2.gz RCYYQBMOQCSIOA-UHFFFAOYSA-N 1 2 267.329 1.540 20 30 CDEDLO C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)Cc1ccoc1 ZINC000330549106 391440816 /nfs/dbraw/zinc/44/08/16/391440816.db2.gz RCYYQBMOQCSIOA-UHFFFAOYSA-N 1 2 267.329 1.540 20 30 CDEDLO N#CC1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000354353982 391416127 /nfs/dbraw/zinc/41/61/27/391416127.db2.gz WZFMOOPNZFHLPU-HNNXBMFYSA-N 1 2 291.395 1.249 20 30 CDEDLO N#CC1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000354353982 391416129 /nfs/dbraw/zinc/41/61/29/391416129.db2.gz WZFMOOPNZFHLPU-HNNXBMFYSA-N 1 2 291.395 1.249 20 30 CDEDLO C=C(CC)C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000358861491 391565369 /nfs/dbraw/zinc/56/53/69/391565369.db2.gz ODOWOPWLKNDUGU-KGLIPLIRSA-N 1 2 287.425 1.621 20 30 CDEDLO C=C(CC)C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000358861491 391565372 /nfs/dbraw/zinc/56/53/72/391565372.db2.gz ODOWOPWLKNDUGU-KGLIPLIRSA-N 1 2 287.425 1.621 20 30 CDEDLO C=CCN(C)CC[N@@H+](CC)Cc1cc(=O)c(O)co1 ZINC000411635925 391494152 /nfs/dbraw/zinc/49/41/52/391494152.db2.gz COYFWEVJEIEUQK-UHFFFAOYSA-N 1 2 266.341 1.285 20 30 CDEDLO C=CCN(C)CC[N@H+](CC)Cc1cc(=O)c(O)co1 ZINC000411635925 391494154 /nfs/dbraw/zinc/49/41/54/391494154.db2.gz COYFWEVJEIEUQK-UHFFFAOYSA-N 1 2 266.341 1.285 20 30 CDEDLO C=CCOCC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000360089822 391640492 /nfs/dbraw/zinc/64/04/92/391640492.db2.gz SSGHHSXXAMPYNF-CYBMUJFWSA-N 1 2 298.333 1.886 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190853514 130154687 /nfs/dbraw/zinc/15/46/87/130154687.db2.gz GCTVFHGPBMQWEP-UGFHNGPFSA-N 1 2 288.347 1.333 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190853514 130154689 /nfs/dbraw/zinc/15/46/89/130154689.db2.gz GCTVFHGPBMQWEP-UGFHNGPFSA-N 1 2 288.347 1.333 20 30 CDEDLO O=C(NCC[C@H]1CCOC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329753830 391771865 /nfs/dbraw/zinc/77/18/65/391771865.db2.gz KIOFICRUNSJTCA-LBPRGKRZSA-N 1 2 292.383 1.930 20 30 CDEDLO O=C(NCC[C@H]1CCOC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329753830 391771869 /nfs/dbraw/zinc/77/18/69/391771869.db2.gz KIOFICRUNSJTCA-LBPRGKRZSA-N 1 2 292.383 1.930 20 30 CDEDLO CC1(C)C[N@H+](CCNc2nccc(C#N)c2Cl)CCO1 ZINC000342110730 130267554 /nfs/dbraw/zinc/26/75/54/130267554.db2.gz IAWVZYQUNRAFAJ-UHFFFAOYSA-N 1 2 294.786 1.551 20 30 CDEDLO CC1(C)C[N@@H+](CCNc2nccc(C#N)c2Cl)CCO1 ZINC000342110730 130267557 /nfs/dbraw/zinc/26/75/57/130267557.db2.gz IAWVZYQUNRAFAJ-UHFFFAOYSA-N 1 2 294.786 1.551 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000192218788 130395636 /nfs/dbraw/zinc/39/56/36/130395636.db2.gz BSIPAPKJMPIWRU-GFCCVEGCSA-N 1 2 290.363 1.446 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000192218788 130395637 /nfs/dbraw/zinc/39/56/37/130395637.db2.gz BSIPAPKJMPIWRU-GFCCVEGCSA-N 1 2 290.363 1.446 20 30 CDEDLO CCOC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000496921887 391929318 /nfs/dbraw/zinc/92/93/18/391929318.db2.gz FZWZPHDSCBTMDK-GFCCVEGCSA-N 1 2 274.324 1.326 20 30 CDEDLO C=C[C@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000345230891 392151571 /nfs/dbraw/zinc/15/15/71/392151571.db2.gz DTOXBFLBNUAYLH-RWMBFGLXSA-N 1 2 267.373 1.066 20 30 CDEDLO C=CC[N@H+](CC1=CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000645827509 392178018 /nfs/dbraw/zinc/17/80/18/392178018.db2.gz IYGDJRPSPIMDFI-CYBMUJFWSA-N 1 2 255.383 1.772 20 30 CDEDLO C=CC[N@@H+](CC1=CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000645827509 392178021 /nfs/dbraw/zinc/17/80/21/392178021.db2.gz IYGDJRPSPIMDFI-CYBMUJFWSA-N 1 2 255.383 1.772 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCCNc1cccc[nH+]1 ZINC000253381050 131141901 /nfs/dbraw/zinc/14/19/01/131141901.db2.gz CNFQELDPGJYIQI-GFCCVEGCSA-N 1 2 263.341 1.591 20 30 CDEDLO N#Cc1cccc(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000548609514 392496244 /nfs/dbraw/zinc/49/62/44/392496244.db2.gz FQFHZPFYKLDTOP-AWEZNQCLSA-N 1 2 295.346 1.569 20 30 CDEDLO Cc1noc(C)c1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000265591767 131607648 /nfs/dbraw/zinc/60/76/48/131607648.db2.gz YCFQGOXZTNCZLG-UHFFFAOYSA-N 1 2 297.362 1.880 20 30 CDEDLO C=C[C@H](O)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000646620865 392597610 /nfs/dbraw/zinc/59/76/10/392597610.db2.gz HJRYQQACDSSJFS-AWEZNQCLSA-N 1 2 273.336 1.398 20 30 CDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268622625 132037083 /nfs/dbraw/zinc/03/70/83/132037083.db2.gz ANQRHSBJPVLPCP-AKSXLEGCSA-N 1 2 292.404 1.433 20 30 CDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268622625 132037084 /nfs/dbraw/zinc/03/70/84/132037084.db2.gz ANQRHSBJPVLPCP-AKSXLEGCSA-N 1 2 292.404 1.433 20 30 CDEDLO Cc1cc(N[C@@H]2c3ccccc3C[C@@H]2O)c(C#N)c[nH+]1 ZINC000425201912 392992064 /nfs/dbraw/zinc/99/20/64/392992064.db2.gz BGQYNALZSZQYFE-JKSUJKDBSA-N 1 2 265.316 1.754 20 30 CDEDLO Cc1ccc2[nH+]c(Cn3cnc(C#N)c3C#N)cn2c1 ZINC000184864458 140034044 /nfs/dbraw/zinc/03/40/44/140034044.db2.gz COWINODIFPJXLP-UHFFFAOYSA-N 1 2 262.276 1.631 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1cc(C#N)cs1 ZINC000093385034 147048750 /nfs/dbraw/zinc/04/87/50/147048750.db2.gz LMJFEHPRNCAFHV-VIFPVBQESA-N 1 2 272.395 1.485 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000093385034 147048753 /nfs/dbraw/zinc/04/87/53/147048753.db2.gz LMJFEHPRNCAFHV-VIFPVBQESA-N 1 2 272.395 1.485 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2cc(C#N)cs2)CCO1 ZINC000093529469 147056819 /nfs/dbraw/zinc/05/68/19/147056819.db2.gz GORNZXSOIIMAKI-LLVKDONJSA-N 1 2 252.339 1.467 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2cc(C#N)cs2)CCO1 ZINC000093529469 147056815 /nfs/dbraw/zinc/05/68/15/147056815.db2.gz GORNZXSOIIMAKI-LLVKDONJSA-N 1 2 252.339 1.467 20 30 CDEDLO CN1CC[C@@H]([N@H+](C)Cc2ccc(F)cc2C#N)C1=O ZINC000334241988 149384841 /nfs/dbraw/zinc/38/48/41/149384841.db2.gz OATMZEPFDJEKPS-CYBMUJFWSA-N 1 2 261.300 1.360 20 30 CDEDLO CN1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2C#N)C1=O ZINC000334241988 149384843 /nfs/dbraw/zinc/38/48/43/149384843.db2.gz OATMZEPFDJEKPS-CYBMUJFWSA-N 1 2 261.300 1.360 20 30 CDEDLO CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000335850616 151072597 /nfs/dbraw/zinc/07/25/97/151072597.db2.gz QSZGQMWKPFHTLU-LBPRGKRZSA-N 1 2 292.770 1.715 20 30 CDEDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000335850616 151072599 /nfs/dbraw/zinc/07/25/99/151072599.db2.gz QSZGQMWKPFHTLU-LBPRGKRZSA-N 1 2 292.770 1.715 20 30 CDEDLO C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccon1 ZINC000349238529 154072220 /nfs/dbraw/zinc/07/22/20/154072220.db2.gz KFGAVCQVNWBMDX-LLVKDONJSA-N 1 2 284.319 1.513 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNc1c(C#N)nnc2ccccc21 ZINC000354339621 156397737 /nfs/dbraw/zinc/39/77/37/156397737.db2.gz MSBZKFTXKPKKMF-GFCCVEGCSA-N 1 2 297.362 1.634 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNc1c(C#N)nnc2ccccc21 ZINC000354339621 156397739 /nfs/dbraw/zinc/39/77/39/156397739.db2.gz MSBZKFTXKPKKMF-GFCCVEGCSA-N 1 2 297.362 1.634 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)C(=O)Nc1ccccc1C#N ZINC000358794043 158029551 /nfs/dbraw/zinc/02/95/51/158029551.db2.gz YCWARQLGFXULCG-WDEREUQCSA-N 1 2 298.350 1.365 20 30 CDEDLO Cn1c[nH+]cc1CS(=O)(=O)c1ccc(C#N)cc1 ZINC000359172826 158148891 /nfs/dbraw/zinc/14/88/91/158148891.db2.gz IOCZWYRIIDZNGG-UHFFFAOYSA-N 1 2 261.306 1.266 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362085233 159065374 /nfs/dbraw/zinc/06/53/74/159065374.db2.gz GCTVFHGPBMQWEP-DFBGVHRSSA-N 1 2 288.347 1.333 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362085233 159065375 /nfs/dbraw/zinc/06/53/75/159065375.db2.gz GCTVFHGPBMQWEP-DFBGVHRSSA-N 1 2 288.347 1.333 20 30 CDEDLO C=CC[C@H]1CCCN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000660706545 413394342 /nfs/dbraw/zinc/39/43/42/413394342.db2.gz YLPCZIVNDJQFRQ-LBPRGKRZSA-N 1 2 262.357 1.918 20 30 CDEDLO Cn1nnnc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000372415035 160118550 /nfs/dbraw/zinc/11/85/50/160118550.db2.gz CILMPZPNUKXJLX-UHFFFAOYSA-N 1 2 280.335 1.371 20 30 CDEDLO Cn1nnnc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000372415035 160118552 /nfs/dbraw/zinc/11/85/52/160118552.db2.gz CILMPZPNUKXJLX-UHFFFAOYSA-N 1 2 280.335 1.371 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@H](C)c1noc(-c2ccccc2)n1 ZINC000662168326 414547802 /nfs/dbraw/zinc/54/78/02/414547802.db2.gz BKMSZAIMZNNREH-ZYHUDNBSSA-N 1 2 259.309 1.934 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000662165375 414544469 /nfs/dbraw/zinc/54/44/69/414544469.db2.gz DLLUQXFMOKCUCY-DGCLKSJQSA-N 1 2 273.336 1.858 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000662167052 414546046 /nfs/dbraw/zinc/54/60/46/414546046.db2.gz QEQTVQVGMZIUSV-LLVKDONJSA-N 1 2 277.299 1.821 20 30 CDEDLO N#Cc1c(C[N@H+]2CCCC[C@H]2C(N)=O)cn2ccccc12 ZINC000044894866 175273497 /nfs/dbraw/zinc/27/34/97/175273497.db2.gz AKHJZPSPSOQTTO-HNNXBMFYSA-N 1 2 282.347 1.651 20 30 CDEDLO N#Cc1c(C[N@@H+]2CCCC[C@H]2C(N)=O)cn2ccccc12 ZINC000044894866 175273498 /nfs/dbraw/zinc/27/34/98/175273498.db2.gz AKHJZPSPSOQTTO-HNNXBMFYSA-N 1 2 282.347 1.651 20 30 CDEDLO C[N@H+](CC(=O)NCC#N)Cc1ccc(F)c(F)c1 ZINC000076668634 177052564 /nfs/dbraw/zinc/05/25/64/177052564.db2.gz DNVXCPCJCAABGE-UHFFFAOYSA-N 1 2 253.252 1.036 20 30 CDEDLO C[N@@H+](CC(=O)NCC#N)Cc1ccc(F)c(F)c1 ZINC000076668634 177052567 /nfs/dbraw/zinc/05/25/67/177052567.db2.gz DNVXCPCJCAABGE-UHFFFAOYSA-N 1 2 253.252 1.036 20 30 CDEDLO Cc1ccncc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330306008 228121779 /nfs/dbraw/zinc/12/17/79/228121779.db2.gz LCTJEXFOHCHZNW-NSHDSACASA-N 1 2 256.309 1.906 20 30 CDEDLO C[C@H](C(=O)NCC1(C#N)CCC1)[NH+]1CCSCC1 ZINC000331946847 228140621 /nfs/dbraw/zinc/14/06/21/228140621.db2.gz NACJWCGUBVJXRB-LLVKDONJSA-N 1 2 267.398 1.234 20 30 CDEDLO CCS(=O)(=O)N(C)CCC/[NH+]=C/c1ccccc1O ZINC000031643603 260142257 /nfs/dbraw/zinc/14/22/57/260142257.db2.gz WYHIDIGXDTVIPE-SDNWHVSQSA-N 1 2 284.381 1.483 20 30 CDEDLO COCC[NH+]1CCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000408020901 260172395 /nfs/dbraw/zinc/17/23/95/260172395.db2.gz KFOQVAYFCOJCCO-UHFFFAOYSA-N 1 2 279.384 1.251 20 30 CDEDLO C[C@H](C#N)S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000088474956 260232908 /nfs/dbraw/zinc/23/29/08/260232908.db2.gz JJCMAKLXBUEXJV-CYBMUJFWSA-N 1 2 293.392 1.046 20 30 CDEDLO Cc1ncsc1C[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000066562955 260247293 /nfs/dbraw/zinc/24/72/93/260247293.db2.gz DFKWIFXMMGPWIM-CQSZACIVSA-N 1 2 294.424 1.938 20 30 CDEDLO Cc1ncsc1C[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000066562955 260247294 /nfs/dbraw/zinc/24/72/94/260247294.db2.gz DFKWIFXMMGPWIM-CQSZACIVSA-N 1 2 294.424 1.938 20 30 CDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccccc1F ZINC000112336031 260661200 /nfs/dbraw/zinc/66/12/00/260661200.db2.gz FTHGKOGBEWGDTM-UHFFFAOYSA-N 1 2 267.304 1.529 20 30 CDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCC#N ZINC000155634441 261105407 /nfs/dbraw/zinc/10/54/07/261105407.db2.gz MYTSVANVEAALSX-GFCCVEGCSA-N 1 2 270.340 1.163 20 30 CDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCC#N ZINC000155634441 261105408 /nfs/dbraw/zinc/10/54/08/261105408.db2.gz MYTSVANVEAALSX-GFCCVEGCSA-N 1 2 270.340 1.163 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000490830437 261220235 /nfs/dbraw/zinc/22/02/35/261220235.db2.gz KOVYZOZBMDYUBU-SKDRFNHKSA-N 1 2 298.745 1.240 20 30 CDEDLO C#C[C@@H](CC)NC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000490975195 261276502 /nfs/dbraw/zinc/27/65/02/261276502.db2.gz SGFGGGZAIYZLIC-AWEZNQCLSA-N 1 2 286.379 1.633 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)OC ZINC000491792056 262054761 /nfs/dbraw/zinc/05/47/61/262054761.db2.gz DAFZBFJYCLJLNY-NSHDSACASA-N 1 2 274.320 1.365 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1C(=O)OC ZINC000491792056 262054764 /nfs/dbraw/zinc/05/47/64/262054764.db2.gz DAFZBFJYCLJLNY-NSHDSACASA-N 1 2 274.320 1.365 20 30 CDEDLO COC[C@@H](C)O[NH+]=C(N)COc1cc(F)cc(F)c1 ZINC000186835828 262112330 /nfs/dbraw/zinc/11/23/30/262112330.db2.gz HFFFAUBGXFLDFZ-MRVPVSSYSA-N 1 2 274.267 1.667 20 30 CDEDLO C=CCSCCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000364267441 262192493 /nfs/dbraw/zinc/19/24/93/262192493.db2.gz LRBUPNRIVFNIFC-AWEZNQCLSA-N 1 2 298.452 1.523 20 30 CDEDLO C=CCSCCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000364267441 262192494 /nfs/dbraw/zinc/19/24/94/262192494.db2.gz LRBUPNRIVFNIFC-AWEZNQCLSA-N 1 2 298.452 1.523 20 30 CDEDLO Cc1nc(CC(N)=[NH+]OCCO[C@@H]2CCCCO2)cs1 ZINC000192837779 262211300 /nfs/dbraw/zinc/21/13/00/262211300.db2.gz PEPIUWKBPOZGBW-CYBMUJFWSA-N 1 2 299.396 1.826 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCOc2c(F)cccc2C1 ZINC000365002562 262267401 /nfs/dbraw/zinc/26/74/01/262267401.db2.gz BBJBKNQQGURVCE-NSHDSACASA-N 1 2 278.327 1.711 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCOc2c(F)cccc2C1 ZINC000365002562 262267403 /nfs/dbraw/zinc/26/74/03/262267403.db2.gz BBJBKNQQGURVCE-NSHDSACASA-N 1 2 278.327 1.711 20 30 CDEDLO Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCN(CC#N)CC1 ZINC000353140254 262276175 /nfs/dbraw/zinc/27/61/75/262276175.db2.gz ARLUTNYFGURXRU-UHFFFAOYSA-N 1 2 289.427 1.896 20 30 CDEDLO C[C@H]1C[C@H]1CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000354723235 262284210 /nfs/dbraw/zinc/28/42/10/262284210.db2.gz RHTVIZVGENXARU-KBPBESRZSA-N 1 2 279.384 1.107 20 30 CDEDLO C[C@H]1C[C@H](NC(=O)Nc2cccc(C#N)n2)c2[nH+]ccn21 ZINC000516649676 262339898 /nfs/dbraw/zinc/33/98/98/262339898.db2.gz YLPRKIYBEVXLRL-ONGXEEELSA-N 1 2 282.307 1.977 20 30 CDEDLO COCCn1nnc2c1CC[N@H+](CC(C)(C)CCC#N)C2 ZINC000354059102 262363191 /nfs/dbraw/zinc/36/31/91/262363191.db2.gz OPDUOBAAIJKXCZ-UHFFFAOYSA-N 1 2 291.399 1.613 20 30 CDEDLO COCCn1nnc2c1CC[N@@H+](CC(C)(C)CCC#N)C2 ZINC000354059102 262363193 /nfs/dbraw/zinc/36/31/93/262363193.db2.gz OPDUOBAAIJKXCZ-UHFFFAOYSA-N 1 2 291.399 1.613 20 30 CDEDLO Cc1c(CO[NH+]=C(N)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000284083531 263085672 /nfs/dbraw/zinc/08/56/72/263085672.db2.gz KPSPSGAPUJBCAK-LBPRGKRZSA-N 1 2 279.296 1.871 20 30 CDEDLO Cn1nncc1CO[NH+]=C(N)Cc1ccccc1Cl ZINC000289485570 263110483 /nfs/dbraw/zinc/11/04/83/263110483.db2.gz YLPDNZUZDIZEPN-UHFFFAOYSA-N 1 2 279.731 1.500 20 30 CDEDLO N#CCOc1ccc(CC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000290898324 263119032 /nfs/dbraw/zinc/11/90/32/263119032.db2.gz GZOWBHMPIBEEEG-UHFFFAOYSA-N 1 2 296.330 1.370 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292193578 263129395 /nfs/dbraw/zinc/12/93/95/263129395.db2.gz NGOGTGPWUQERAU-HUUCEWRRSA-N 1 2 295.346 1.850 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292193578 263129396 /nfs/dbraw/zinc/12/93/96/263129396.db2.gz NGOGTGPWUQERAU-HUUCEWRRSA-N 1 2 295.346 1.850 20 30 CDEDLO CC#CC[NH+]1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000120737512 263287635 /nfs/dbraw/zinc/28/76/35/263287635.db2.gz XBQRHFNOHLMURG-UHFFFAOYSA-N 1 2 289.354 1.405 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CSCC#N)C1CC1 ZINC000341700042 263346845 /nfs/dbraw/zinc/34/68/45/263346845.db2.gz ZKFMXXMYCSTEKO-NSHDSACASA-N 1 2 264.354 1.244 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)C[C@@H]1CCCS(=O)(=O)C1 ZINC000341874543 263361192 /nfs/dbraw/zinc/36/11/92/263361192.db2.gz JQUPFKOHOPOFJM-NEPJUHHUSA-N 1 2 258.387 1.293 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)C[C@@H]1CCCS(=O)(=O)C1 ZINC000341874543 263361195 /nfs/dbraw/zinc/36/11/95/263361195.db2.gz JQUPFKOHOPOFJM-NEPJUHHUSA-N 1 2 258.387 1.293 20 30 CDEDLO CC(=O)c1ccc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c(F)c1 ZINC000330703175 264018698 /nfs/dbraw/zinc/01/86/98/264018698.db2.gz IKBGUFBYSWOKPZ-GFCCVEGCSA-N 1 2 294.326 1.664 20 30 CDEDLO CC(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(F)c1 ZINC000330703175 264018700 /nfs/dbraw/zinc/01/87/00/264018700.db2.gz IKBGUFBYSWOKPZ-GFCCVEGCSA-N 1 2 294.326 1.664 20 30 CDEDLO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)Cc1ccoc1 ZINC000330942725 264084346 /nfs/dbraw/zinc/08/43/46/264084346.db2.gz GSHVKAUXYUZMRJ-JTQLQIEISA-N 1 2 281.356 1.929 20 30 CDEDLO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)Cc1ccoc1 ZINC000330942725 264084348 /nfs/dbraw/zinc/08/43/48/264084348.db2.gz GSHVKAUXYUZMRJ-JTQLQIEISA-N 1 2 281.356 1.929 20 30 CDEDLO N#Cc1ccc(C(=O)NCC[NH+]2CCSCC2)cc1O ZINC000331271084 264168696 /nfs/dbraw/zinc/16/86/96/264168696.db2.gz NAJAZIKWFDTJPV-UHFFFAOYSA-N 1 2 291.376 1.617 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331307879 264202002 /nfs/dbraw/zinc/20/20/02/264202002.db2.gz FQDWJMPINNINKG-CHWSQXEVSA-N 1 2 281.400 1.494 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331307879 264202005 /nfs/dbraw/zinc/20/20/05/264202005.db2.gz FQDWJMPINNINKG-CHWSQXEVSA-N 1 2 281.400 1.494 20 30 CDEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc(C(=O)OCC)no1 ZINC000331349562 264205956 /nfs/dbraw/zinc/20/59/56/264205956.db2.gz NLRGUEBRZBJVFC-SNVBAGLBSA-N 1 2 265.313 1.787 20 30 CDEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(C(=O)OCC)no1 ZINC000331349562 264205957 /nfs/dbraw/zinc/20/59/57/264205957.db2.gz NLRGUEBRZBJVFC-SNVBAGLBSA-N 1 2 265.313 1.787 20 30 CDEDLO Cc1ncncc1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000331355445 264207488 /nfs/dbraw/zinc/20/74/88/264207488.db2.gz QQDPACCQEOAKOF-UHFFFAOYSA-N 1 2 278.356 1.200 20 30 CDEDLO C=CCCn1cc(CN2CCC[C@@H](n3cc[nH+]c3)C2)nn1 ZINC000653547958 424263694 /nfs/dbraw/zinc/26/36/94/424263694.db2.gz GHQSSZRVDDFZOF-OAHLLOKOSA-N 1 2 286.383 1.888 20 30 CDEDLO N#Cc1cncc(NCc2ccc[nH+]c2N2CCOCC2)n1 ZINC000519708100 265560501 /nfs/dbraw/zinc/56/05/01/265560501.db2.gz NYFDHAZQXBXPBJ-UHFFFAOYSA-N 1 2 296.334 1.192 20 30 CDEDLO COC(=O)N1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000399579953 266634820 /nfs/dbraw/zinc/63/48/20/266634820.db2.gz LKQGBPGDOVOGPW-UHFFFAOYSA-N 1 2 260.297 1.150 20 30 CDEDLO C[C@H]([C@H](C)Nc1c(C#N)cccc1C#N)[NH+]1CCOCC1 ZINC000302885958 267206326 /nfs/dbraw/zinc/20/63/26/267206326.db2.gz MTVAROHPZBBDGD-QWHCGFSZSA-N 1 2 284.363 1.951 20 30 CDEDLO CC#CC[NH+]1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000119551807 267345109 /nfs/dbraw/zinc/34/51/09/267345109.db2.gz ZZSNRACUHBTEPX-HZPDHXFCSA-N 1 2 291.439 1.322 20 30 CDEDLO CC#CC[NH+]1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000119551930 267345123 /nfs/dbraw/zinc/34/51/23/267345123.db2.gz ZZSNRACUHBTEPX-CVEARBPZSA-N 1 2 291.439 1.322 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120143466 267386568 /nfs/dbraw/zinc/38/65/68/267386568.db2.gz JTECQWQFIGZWCX-UHFFFAOYSA-N 1 2 298.774 1.122 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1cc(Cl)cn1C ZINC000120143466 267386572 /nfs/dbraw/zinc/38/65/72/267386572.db2.gz JTECQWQFIGZWCX-UHFFFAOYSA-N 1 2 298.774 1.122 20 30 CDEDLO C=CC[N@H+](CC(=O)N1CCNC1=O)Cc1cccs1 ZINC000025799990 268011243 /nfs/dbraw/zinc/01/12/43/268011243.db2.gz IGEFYBXABBGINT-UHFFFAOYSA-N 1 2 279.365 1.288 20 30 CDEDLO C=CC[N@@H+](CC(=O)N1CCNC1=O)Cc1cccs1 ZINC000025799990 268011245 /nfs/dbraw/zinc/01/12/45/268011245.db2.gz IGEFYBXABBGINT-UHFFFAOYSA-N 1 2 279.365 1.288 20 30 CDEDLO N#Cc1cc(N2CCC(n3cc[nH+]c3)CC2)ncn1 ZINC000526253484 268183417 /nfs/dbraw/zinc/18/34/17/268183417.db2.gz ZKRPGDRSWFXBQG-UHFFFAOYSA-N 1 2 254.297 1.386 20 30 CDEDLO N#Cc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1O ZINC000525952599 268203771 /nfs/dbraw/zinc/20/37/71/268203771.db2.gz DKBIZUKBJUTZCX-GFCCVEGCSA-N 1 2 282.303 1.205 20 30 CDEDLO N#Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)cc1 ZINC000522964141 268247908 /nfs/dbraw/zinc/24/79/08/268247908.db2.gz RLKKUSYWCNHLMO-UHFFFAOYSA-N 1 2 290.286 1.786 20 30 CDEDLO CC(C)(C)[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])C(N)=O ZINC000459364626 270394543 /nfs/dbraw/zinc/39/45/43/270394543.db2.gz JDIRQLBDSQGERM-LBPRGKRZSA-N 1 2 290.323 1.456 20 30 CDEDLO Cc1cccc(S(=O)(=O)NCCn2cc[nH+]c2)c1C#N ZINC000156172329 289259119 /nfs/dbraw/zinc/25/91/19/289259119.db2.gz VODZSXGVEOKIHK-UHFFFAOYSA-N 1 2 290.348 1.042 20 30 CDEDLO Cn1cc[nH+]c1[C@H](Nc1cc(C#N)ncn1)C1CC1 ZINC000561359446 293081255 /nfs/dbraw/zinc/08/12/55/293081255.db2.gz WTOLDHXCELRMNA-GFCCVEGCSA-N 1 2 254.297 1.645 20 30 CDEDLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccc(C#N)[nH]2)[nH+]1 ZINC000570808129 294312813 /nfs/dbraw/zinc/31/28/13/294312813.db2.gz CTQKCUVAZGVHMW-UHFFFAOYSA-N 1 2 257.297 1.583 20 30 CDEDLO N#CC1(F)CC[NH+]([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000352464167 303144987 /nfs/dbraw/zinc/14/49/87/303144987.db2.gz PVJDVFUIXDOVDC-LLVKDONJSA-N 1 2 251.305 1.077 20 30 CDEDLO COCCn1cc(C[NH2+]C[C@H](C#N)CCC#N)cn1 ZINC000580215589 327736128 /nfs/dbraw/zinc/73/61/28/327736128.db2.gz NPQDMGGFKNOXDZ-LBPRGKRZSA-N 1 2 261.329 1.063 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C1=CCCCC1 ZINC000275830219 328216546 /nfs/dbraw/zinc/21/65/46/328216546.db2.gz SLWYTFHTZGFQRY-UHFFFAOYSA-N 1 2 291.395 1.561 20 30 CDEDLO Cc1cccc2[nH+]c(CNC(=O)c3c[nH]c(C#N)c3)cn21 ZINC000181289200 323232207 /nfs/dbraw/zinc/23/22/07/323232207.db2.gz TWRYSCLVSKCREM-UHFFFAOYSA-N 1 2 279.303 1.773 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000122159989 328389725 /nfs/dbraw/zinc/38/97/25/328389725.db2.gz KJHNYBXDNYIMLR-OFQRWUPVSA-N 1 2 286.375 1.586 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000122159989 328389727 /nfs/dbraw/zinc/38/97/27/328389727.db2.gz KJHNYBXDNYIMLR-OFQRWUPVSA-N 1 2 286.375 1.586 20 30 CDEDLO Cc1ccccc1CO[NH+]=C(N)CN1CCOCC1 ZINC000111181854 327277287 /nfs/dbraw/zinc/27/72/87/327277287.db2.gz SDOLOLFYOKOUIJ-UHFFFAOYSA-N 1 2 263.341 1.116 20 30 CDEDLO C=CCCOCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000583390530 327339061 /nfs/dbraw/zinc/33/90/61/327339061.db2.gz TYSKPJXIEDIMDY-UHFFFAOYSA-N 1 2 273.336 1.965 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)c1ccon1)C(=O)NC1(C#N)CCC1 ZINC000527298678 327521799 /nfs/dbraw/zinc/52/17/99/327521799.db2.gz CNBIJALOUKWTTF-VHSXEESVSA-N 1 2 262.313 1.276 20 30 CDEDLO C=CCOC[C@@H]1NC(=O)N(Cc2cc(C)[nH+]c(C)c2)C1=O ZINC000421818157 330086433 /nfs/dbraw/zinc/08/64/33/330086433.db2.gz ZFIJGKZCHILENP-ZDUSSCGKSA-N 1 2 289.335 1.321 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cnc3c(c2)c(C)nn3C)nn1 ZINC000424166358 330309351 /nfs/dbraw/zinc/30/93/51/330309351.db2.gz ARJIQGLGIDQAEK-UHFFFAOYSA-N 1 2 297.366 1.344 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424190554 330323100 /nfs/dbraw/zinc/32/31/00/330323100.db2.gz MOXHAXLHUZKDDP-UTUOFQBUSA-N 1 2 288.338 1.329 20 30 CDEDLO C=CCCC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000433103110 330617295 /nfs/dbraw/zinc/61/72/95/330617295.db2.gz IIAXUOLSOGZSCG-GFCCVEGCSA-N 1 2 262.357 1.581 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000448773328 330883413 /nfs/dbraw/zinc/88/34/13/330883413.db2.gz HMZPLKJRVSYNLE-HNNXBMFYSA-N 1 2 298.452 1.523 20 30 CDEDLO C[C@@H]1C[C@]1(C#N)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000449838438 330951654 /nfs/dbraw/zinc/95/16/54/330951654.db2.gz FTBRWCLKMMSXBD-CXAGYDPISA-N 1 2 299.374 1.586 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000451181383 331019035 /nfs/dbraw/zinc/01/90/35/331019035.db2.gz FHYQRVHGTMLBPE-WZRBSPASSA-N 1 2 255.337 1.473 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000451181383 331019036 /nfs/dbraw/zinc/01/90/36/331019036.db2.gz FHYQRVHGTMLBPE-WZRBSPASSA-N 1 2 255.337 1.473 20 30 CDEDLO C[C@H](C(=O)NCC(F)(F)F)[NH+]1CCC(C#N)CC1 ZINC000195335154 331170096 /nfs/dbraw/zinc/17/00/96/331170096.db2.gz RXXCXANOIVXNLM-MRVPVSSYSA-N 1 2 263.263 1.289 20 30 CDEDLO C=CCC[C@H](NC(=O)CCc1c[nH+]cn1C)C(=O)OCC ZINC000456616458 331196948 /nfs/dbraw/zinc/19/69/48/331196948.db2.gz XMXXMGSZGXWOGX-ZDUSSCGKSA-N 1 2 293.367 1.367 20 30 CDEDLO C=CC[N@@H+](CCOC)[C@@H](C(=O)OC)C1(OC)CCC1 ZINC000459419581 331280480 /nfs/dbraw/zinc/28/04/80/331280480.db2.gz JQSJIGYVAUWIHQ-LBPRGKRZSA-N 1 2 271.357 1.232 20 30 CDEDLO C=CC[N@H+](CCOC)[C@@H](C(=O)OC)C1(OC)CCC1 ZINC000459419581 331280481 /nfs/dbraw/zinc/28/04/81/331280481.db2.gz JQSJIGYVAUWIHQ-LBPRGKRZSA-N 1 2 271.357 1.232 20 30 CDEDLO C=CCCCS(=O)(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000489900099 332072234 /nfs/dbraw/zinc/07/22/34/332072234.db2.gz NQVBAVXOHGIBOX-LBPRGKRZSA-N 1 2 283.397 1.757 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000490674791 332102119 /nfs/dbraw/zinc/10/21/19/332102119.db2.gz CVCLPDKMQFHUHS-HZPDHXFCSA-N 1 2 288.391 1.115 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000490674791 332102120 /nfs/dbraw/zinc/10/21/20/332102120.db2.gz CVCLPDKMQFHUHS-HZPDHXFCSA-N 1 2 288.391 1.115 20 30 CDEDLO C#CC[N@@H+](C[C@H](O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000490740665 332111168 /nfs/dbraw/zinc/11/11/68/332111168.db2.gz MGEPNESPZWTQTP-CABCVRRESA-N 1 2 299.436 1.050 20 30 CDEDLO C#CC[N@H+](C[C@H](O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000490740665 332111169 /nfs/dbraw/zinc/11/11/69/332111169.db2.gz MGEPNESPZWTQTP-CABCVRRESA-N 1 2 299.436 1.050 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000490759685 332112679 /nfs/dbraw/zinc/11/26/79/332112679.db2.gz DUAATFCGTLZYLZ-AWEZNQCLSA-N 1 2 272.392 1.734 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000490759685 332112681 /nfs/dbraw/zinc/11/26/81/332112681.db2.gz DUAATFCGTLZYLZ-AWEZNQCLSA-N 1 2 272.392 1.734 20 30 CDEDLO C#CCNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000491038750 332141492 /nfs/dbraw/zinc/14/14/92/332141492.db2.gz LBSRBNBRDGLRNM-UHFFFAOYSA-N 1 2 253.305 1.223 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000491360818 332196702 /nfs/dbraw/zinc/19/67/02/332196702.db2.gz HYSNKSGFRPWDFA-UHFFFAOYSA-N 1 2 285.347 1.315 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000491360818 332196703 /nfs/dbraw/zinc/19/67/03/332196703.db2.gz HYSNKSGFRPWDFA-UHFFFAOYSA-N 1 2 285.347 1.315 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1nncs1)Cc1ccccc1 ZINC000491381834 332201124 /nfs/dbraw/zinc/20/11/24/332201124.db2.gz GOFVOQXOVRTGSM-UHFFFAOYSA-N 1 2 286.360 1.612 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1nncs1)Cc1ccccc1 ZINC000491381834 332201125 /nfs/dbraw/zinc/20/11/25/332201125.db2.gz GOFVOQXOVRTGSM-UHFFFAOYSA-N 1 2 286.360 1.612 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCCN(C)C(=O)OC(C)(C)C ZINC000491514566 332226689 /nfs/dbraw/zinc/22/66/89/332226689.db2.gz ITIZBCCKHSLZIQ-CYBMUJFWSA-N 1 2 282.384 1.577 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCCN(C)C(=O)OC(C)(C)C ZINC000491514566 332226691 /nfs/dbraw/zinc/22/66/91/332226691.db2.gz ITIZBCCKHSLZIQ-CYBMUJFWSA-N 1 2 282.384 1.577 20 30 CDEDLO C#CC[N@@H+](Cc1nc(=O)n(C)[nH]1)[C@@H]1CCc2ccccc21 ZINC000491524113 332229265 /nfs/dbraw/zinc/22/92/65/332229265.db2.gz JFLPISLLMZMDFM-CQSZACIVSA-N 1 2 282.347 1.231 20 30 CDEDLO C#CC[N@H+](Cc1nc(=O)n(C)[nH]1)[C@@H]1CCc2ccccc21 ZINC000491524113 332229267 /nfs/dbraw/zinc/22/92/67/332229267.db2.gz JFLPISLLMZMDFM-CQSZACIVSA-N 1 2 282.347 1.231 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000491567620 332239527 /nfs/dbraw/zinc/23/95/27/332239527.db2.gz MMVZGBRJPZAHHK-LLVKDONJSA-N 1 2 276.767 1.836 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCc2cccc(Cl)c2C1 ZINC000491567620 332239528 /nfs/dbraw/zinc/23/95/28/332239528.db2.gz MMVZGBRJPZAHHK-LLVKDONJSA-N 1 2 276.767 1.836 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000491627996 332251246 /nfs/dbraw/zinc/25/12/46/332251246.db2.gz MZVUEHMBFSCREZ-NSHDSACASA-N 1 2 285.307 1.764 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000491627996 332251248 /nfs/dbraw/zinc/25/12/48/332251248.db2.gz MZVUEHMBFSCREZ-NSHDSACASA-N 1 2 285.307 1.764 20 30 CDEDLO C#C[C@H](CC)NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000491697059 332292298 /nfs/dbraw/zinc/29/22/98/332292298.db2.gz GFDQRRDTRUYWRK-GFCCVEGCSA-N 1 2 260.341 1.359 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1nnc(CCCC)s1 ZINC000491704940 332298164 /nfs/dbraw/zinc/29/81/64/332298164.db2.gz KZQFRAQGKZCOGY-SNVBAGLBSA-N 1 2 280.397 1.773 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1nnc(CCCC)s1 ZINC000491704940 332298166 /nfs/dbraw/zinc/29/81/66/332298166.db2.gz KZQFRAQGKZCOGY-SNVBAGLBSA-N 1 2 280.397 1.773 20 30 CDEDLO C#CC[N@@H+](C[C@H]1CCCC1(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000491711624 332303110 /nfs/dbraw/zinc/30/31/10/332303110.db2.gz WVPNXCDIUBCCEJ-NEPJUHHUSA-N 1 2 291.363 1.544 20 30 CDEDLO C#CC[N@H+](C[C@H]1CCCC1(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000491711624 332303111 /nfs/dbraw/zinc/30/31/11/332303111.db2.gz WVPNXCDIUBCCEJ-NEPJUHHUSA-N 1 2 291.363 1.544 20 30 CDEDLO C#C[C@@H](CC)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000491765229 332333628 /nfs/dbraw/zinc/33/36/28/332333628.db2.gz FDSOXUVEUWXBOD-LBPRGKRZSA-N 1 2 260.341 1.711 20 30 CDEDLO C#CCN(CC)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000491773800 332339832 /nfs/dbraw/zinc/33/98/32/332339832.db2.gz CPSYVSKREJRJGD-GFCCVEGCSA-N 1 2 260.341 1.536 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000491779701 332344448 /nfs/dbraw/zinc/34/44/48/332344448.db2.gz KCIAFVYSPWETMG-ZDUSSCGKSA-N 1 2 299.374 1.705 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000491779701 332344449 /nfs/dbraw/zinc/34/44/49/332344449.db2.gz KCIAFVYSPWETMG-ZDUSSCGKSA-N 1 2 299.374 1.705 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)Nc1ccc(OC)cc1 ZINC000491804816 332358664 /nfs/dbraw/zinc/35/86/64/332358664.db2.gz NFJOMGRSTDSXTA-AWEZNQCLSA-N 1 2 288.347 1.358 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1 ZINC000491804816 332358665 /nfs/dbraw/zinc/35/86/65/332358665.db2.gz NFJOMGRSTDSXTA-AWEZNQCLSA-N 1 2 288.347 1.358 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](O)CCc1ccccc1 ZINC000491806256 332359680 /nfs/dbraw/zinc/35/96/80/332359680.db2.gz QVMYWGHCCMAETE-HZPDHXFCSA-N 1 2 259.349 1.314 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](O)CCc1ccccc1 ZINC000491806256 332359681 /nfs/dbraw/zinc/35/96/81/332359681.db2.gz QVMYWGHCCMAETE-HZPDHXFCSA-N 1 2 259.349 1.314 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1cccc(F)c1 ZINC000493223813 332431157 /nfs/dbraw/zinc/43/11/57/332431157.db2.gz RVLTYOGSYMGKPF-MVGZEHJDSA-N 1 2 275.327 1.799 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000494727460 332484673 /nfs/dbraw/zinc/48/46/73/332484673.db2.gz INSKLSNCTUTRRQ-UONOGXRCSA-N 1 2 281.400 1.457 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCCc1ccc(Cl)cc1 ZINC000174525487 333001357 /nfs/dbraw/zinc/00/13/57/333001357.db2.gz XHPMDAUFHBTSIV-UHFFFAOYSA-N 1 2 288.778 1.567 20 30 CDEDLO Cc1cc(NC[C@H](O)C[N@H+](C)CCC#N)cc(C)c1O ZINC000516762795 333081913 /nfs/dbraw/zinc/08/19/13/333081913.db2.gz OTIPCIIRZQVQIE-AWEZNQCLSA-N 1 2 277.368 1.627 20 30 CDEDLO Cc1cc(NC[C@H](O)C[N@@H+](C)CCC#N)cc(C)c1O ZINC000516762795 333081914 /nfs/dbraw/zinc/08/19/14/333081914.db2.gz OTIPCIIRZQVQIE-AWEZNQCLSA-N 1 2 277.368 1.627 20 30 CDEDLO C=CC(C)(C)CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000516908945 333086051 /nfs/dbraw/zinc/08/60/51/333086051.db2.gz YIBNXVFJKPRJAL-UHFFFAOYSA-N 1 2 271.324 1.604 20 30 CDEDLO Cn1ncc2c1nc(N)[nH+]c2NCC(C)(C)CCC#N ZINC000522014293 333230238 /nfs/dbraw/zinc/23/02/38/333230238.db2.gz RDRPXHJLLYRHQT-UHFFFAOYSA-N 1 2 273.344 1.518 20 30 CDEDLO CCC(CC)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000194951276 333280012 /nfs/dbraw/zinc/28/00/12/333280012.db2.gz MTCKQUPUIXMAAZ-UHFFFAOYSA-N 1 2 281.400 1.497 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523506102 333330790 /nfs/dbraw/zinc/33/07/90/333330790.db2.gz XFLFGYDCOYBYBJ-LLVKDONJSA-N 1 2 284.323 1.284 20 30 CDEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548311607 334150596 /nfs/dbraw/zinc/15/05/96/334150596.db2.gz IIBBGXWIOIEZST-GFCCVEGCSA-N 1 2 298.346 1.588 20 30 CDEDLO COCCOc1ncccc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000567726069 334755948 /nfs/dbraw/zinc/75/59/48/334755948.db2.gz XQYATLFPOZKKRZ-CYBMUJFWSA-N 1 2 288.351 1.640 20 30 CDEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ns1 ZINC000576759171 335244402 /nfs/dbraw/zinc/24/44/02/335244402.db2.gz UKABHNARVCJDNT-NSHDSACASA-N 1 2 252.343 1.025 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000577975626 335446036 /nfs/dbraw/zinc/44/60/36/335446036.db2.gz OGUIPJNEYGQELA-KGLIPLIRSA-N 1 2 285.347 1.645 20 30 CDEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000693969938 1159358808 /nfs/dbraw/zinc/35/88/08/1159358808.db2.gz GNHWYSGFNFOBRI-DZGCQCFKSA-N 1 2 255.321 1.827 20 30 CDEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000693969938 1159358813 /nfs/dbraw/zinc/35/88/13/1159358813.db2.gz GNHWYSGFNFOBRI-DZGCQCFKSA-N 1 2 255.321 1.827 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2oc(C)nc2C)C1=O ZINC000685580979 483175750 /nfs/dbraw/zinc/17/57/50/483175750.db2.gz KBZHCVSSGQFZHY-LBPRGKRZSA-N 1 2 263.341 1.510 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2oc(C)nc2C)C1=O ZINC000685580979 483175758 /nfs/dbraw/zinc/17/57/58/483175758.db2.gz KBZHCVSSGQFZHY-LBPRGKRZSA-N 1 2 263.341 1.510 20 30 CDEDLO CC[N@H+](CC#Cc1ccc(F)cc1)CC(=O)N(C)C ZINC000676555535 483527874 /nfs/dbraw/zinc/52/78/74/483527874.db2.gz AGOCUSLMLDFFQM-UHFFFAOYSA-N 1 2 262.328 1.587 20 30 CDEDLO CC[N@@H+](CC#Cc1ccc(F)cc1)CC(=O)N(C)C ZINC000676555535 483527877 /nfs/dbraw/zinc/52/78/77/483527877.db2.gz AGOCUSLMLDFFQM-UHFFFAOYSA-N 1 2 262.328 1.587 20 30 CDEDLO C#CCN(CC1CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001137600200 1161050981 /nfs/dbraw/zinc/05/09/81/1161050981.db2.gz UUPYZYVFVLODBE-CHWSQXEVSA-N 1 2 257.337 1.395 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1ccon1 ZINC001753143534 1182218107 /nfs/dbraw/zinc/21/81/07/1182218107.db2.gz WEIFQJMXNDKCKG-LLVKDONJSA-N 1 2 264.329 1.162 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1ccon1 ZINC001753143534 1182218112 /nfs/dbraw/zinc/21/81/12/1182218112.db2.gz WEIFQJMXNDKCKG-LLVKDONJSA-N 1 2 264.329 1.162 20 30 CDEDLO Cc1nc(N[C@H](C)[C@@H](C)NC(=O)C#CC(C)C)cc[nH+]1 ZINC001113028859 1162076322 /nfs/dbraw/zinc/07/63/22/1162076322.db2.gz KXATWSCTRTUGFC-VXGBXAGGSA-N 1 2 274.368 1.750 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H](C)C(F)(F)F)CC1 ZINC001113292194 1162147373 /nfs/dbraw/zinc/14/73/73/1162147373.db2.gz OVHRZDCCADDABV-NSHDSACASA-N 1 2 276.302 1.742 20 30 CDEDLO CCNC(=O)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000182856313 521739822 /nfs/dbraw/zinc/73/98/22/521739822.db2.gz TXGWFVDXLHHJOD-ZDUSSCGKSA-N 1 2 286.379 1.966 20 30 CDEDLO COCC[N@H+](Cc1cccc(C#N)c1F)[C@@H](C)C(N)=O ZINC000340881188 523752738 /nfs/dbraw/zinc/75/27/38/523752738.db2.gz BJSBLVJFRCPVRV-JTQLQIEISA-N 1 2 279.315 1.020 20 30 CDEDLO COCC[N@@H+](Cc1cccc(C#N)c1F)[C@@H](C)C(N)=O ZINC000340881188 523752740 /nfs/dbraw/zinc/75/27/40/523752740.db2.gz BJSBLVJFRCPVRV-JTQLQIEISA-N 1 2 279.315 1.020 20 30 CDEDLO Cn1cc([C@@H]2CCC[N@@H+]2CC(=O)NC(=O)NC2CC2)cn1 ZINC000329007350 534754854 /nfs/dbraw/zinc/75/48/54/534754854.db2.gz YGDXUMORLMZNTJ-LBPRGKRZSA-N 1 2 291.355 1.590 20 30 CDEDLO Cn1cc([C@@H]2CCC[N@H+]2CC(=O)NC(=O)NC2CC2)cn1 ZINC000329007350 534754856 /nfs/dbraw/zinc/75/48/56/534754856.db2.gz YGDXUMORLMZNTJ-LBPRGKRZSA-N 1 2 291.355 1.590 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+](C)CC(=O)N(CC)CC ZINC000106861298 527124968 /nfs/dbraw/zinc/12/49/68/527124968.db2.gz KPEHAGYXIIQAIJ-UHFFFAOYSA-N 1 2 288.391 1.999 20 30 CDEDLO C#CCOc1ccccc1C[N@H+](C)CC(=O)N(CC)CC ZINC000106861298 527124973 /nfs/dbraw/zinc/12/49/73/527124973.db2.gz KPEHAGYXIIQAIJ-UHFFFAOYSA-N 1 2 288.391 1.999 20 30 CDEDLO CC(C)(O)CN(C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000330283677 527330734 /nfs/dbraw/zinc/33/07/34/527330734.db2.gz WJZLIFHLLBTMPN-NSHDSACASA-N 1 2 292.383 1.347 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000347667346 527395967 /nfs/dbraw/zinc/39/59/67/527395967.db2.gz FRVWBVKYGVMSFU-ZIAGYGMSSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000347667346 527395973 /nfs/dbraw/zinc/39/59/73/527395973.db2.gz FRVWBVKYGVMSFU-ZIAGYGMSSA-N 1 2 284.400 1.195 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)o1)C1CC1 ZINC000354200240 527453195 /nfs/dbraw/zinc/45/31/95/527453195.db2.gz MHSWISXMJBMIJA-LBPRGKRZSA-N 1 2 270.292 1.766 20 30 CDEDLO C=C[C@H](C)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000335293470 527559215 /nfs/dbraw/zinc/55/92/15/527559215.db2.gz ZKALSDYBFIMSTC-LBPRGKRZSA-N 1 2 260.341 1.488 20 30 CDEDLO C=C[C@H](C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000355041579 527567120 /nfs/dbraw/zinc/56/71/20/527567120.db2.gz RFBPPXXUZHRGSX-AAEUAGOBSA-N 1 2 292.383 1.174 20 30 CDEDLO C=C[C@H](C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000355041579 527567129 /nfs/dbraw/zinc/56/71/29/527567129.db2.gz RFBPPXXUZHRGSX-AAEUAGOBSA-N 1 2 292.383 1.174 20 30 CDEDLO CC[N@H+](CC(N)=O)Cc1ccc(C#N)cc1Cl ZINC000231820066 535386936 /nfs/dbraw/zinc/38/69/36/535386936.db2.gz NIYHSPMAOZJDMA-UHFFFAOYSA-N 1 2 251.717 1.519 20 30 CDEDLO CC[N@@H+](CC(N)=O)Cc1ccc(C#N)cc1Cl ZINC000231820066 535386943 /nfs/dbraw/zinc/38/69/43/535386943.db2.gz NIYHSPMAOZJDMA-UHFFFAOYSA-N 1 2 251.717 1.519 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(C(N)=O)c1 ZINC000732070520 575077773 /nfs/dbraw/zinc/07/77/73/575077773.db2.gz VSOYSNNQTSUQRU-AWEZNQCLSA-N 1 2 285.347 1.130 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(C(N)=O)c1 ZINC000732070520 575077775 /nfs/dbraw/zinc/07/77/75/575077775.db2.gz VSOYSNNQTSUQRU-AWEZNQCLSA-N 1 2 285.347 1.130 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)c1ccc(F)cc1 ZINC000732060172 575078185 /nfs/dbraw/zinc/07/81/85/575078185.db2.gz OSBDVQAPWULJPE-AWEZNQCLSA-N 1 2 260.312 1.886 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)c1ccc(F)cc1 ZINC000732060172 575078186 /nfs/dbraw/zinc/07/81/86/575078186.db2.gz OSBDVQAPWULJPE-AWEZNQCLSA-N 1 2 260.312 1.886 20 30 CDEDLO C#CC(C)(C)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000733978908 575148824 /nfs/dbraw/zinc/14/88/24/575148824.db2.gz YXNDRMFCGGQBCE-UHFFFAOYSA-N 1 2 286.375 1.660 20 30 CDEDLO C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1O)[C@@H]1C[N@H+](C)CCO1 ZINC000769774341 575383171 /nfs/dbraw/zinc/38/31/71/575383171.db2.gz RNAJWTVHUPDVDK-FYDZSFHJSA-N 1 2 293.323 1.438 20 30 CDEDLO C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1O)[C@@H]1C[N@@H+](C)CCO1 ZINC000769774341 575383176 /nfs/dbraw/zinc/38/31/76/575383176.db2.gz RNAJWTVHUPDVDK-FYDZSFHJSA-N 1 2 293.323 1.438 20 30 CDEDLO C[N@H+](CC(=O)NCCC#N)Cc1nc2ccccc2o1 ZINC000770178206 575429122 /nfs/dbraw/zinc/42/91/22/575429122.db2.gz YANPIMMEZNDEJT-UHFFFAOYSA-N 1 2 272.308 1.289 20 30 CDEDLO C[N@@H+](CC(=O)NCCC#N)Cc1nc2ccccc2o1 ZINC000770178206 575429124 /nfs/dbraw/zinc/42/91/24/575429124.db2.gz YANPIMMEZNDEJT-UHFFFAOYSA-N 1 2 272.308 1.289 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2cccn2C)CC1 ZINC000772109417 575661918 /nfs/dbraw/zinc/66/19/18/575661918.db2.gz DGWCQWZDPMSALO-UHFFFAOYSA-N 1 2 288.347 1.096 20 30 CDEDLO Nc1[nH+]cccc1C=NN1C(=O)NC2(CCCCC2)C1=O ZINC000764660141 575931823 /nfs/dbraw/zinc/93/18/23/575931823.db2.gz PQYACTGPWCMPKF-UHFFFAOYSA-N 1 2 287.323 1.252 20 30 CDEDLO FC(F)(F)COCCNN=Cc1cccc2[nH+]ccn21 ZINC000765592582 576041981 /nfs/dbraw/zinc/04/19/81/576041981.db2.gz CUZIXTGGCOQUGY-UHFFFAOYSA-N 1 2 286.257 1.837 20 30 CDEDLO COC[C@@H]1CCC[N@@H+]1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766637820 576118138 /nfs/dbraw/zinc/11/81/38/576118138.db2.gz RDMOHSCQVUUTAO-ZDUSSCGKSA-N 1 2 287.363 1.277 20 30 CDEDLO COC[C@@H]1CCC[N@H+]1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766637820 576118139 /nfs/dbraw/zinc/11/81/39/576118139.db2.gz RDMOHSCQVUUTAO-ZDUSSCGKSA-N 1 2 287.363 1.277 20 30 CDEDLO C=CCNc1nc(C(=O)OCCn2cc[nH+]c2)cs1 ZINC000763110944 576713260 /nfs/dbraw/zinc/71/32/60/576713260.db2.gz BTVCRRVKWUUJCD-UHFFFAOYSA-N 1 2 278.337 1.795 20 30 CDEDLO CC(Cc1ccncc1)N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753934939 576866782 /nfs/dbraw/zinc/86/67/82/576866782.db2.gz LPEBINPZXOWDHH-KBPBESRZSA-N 1 2 271.368 1.860 20 30 CDEDLO C[C@@H]1CC(=NNS(=O)(=O)c2ccccc2)C[N@@H+]1C1CC1 ZINC000753955357 576869575 /nfs/dbraw/zinc/86/95/75/576869575.db2.gz MABOBSFFBAETIB-LLVKDONJSA-N 1 2 293.392 1.578 20 30 CDEDLO C[C@@H]1CC(=NNS(=O)(=O)c2ccccc2)C[N@H+]1C1CC1 ZINC000753955357 576869576 /nfs/dbraw/zinc/86/95/76/576869576.db2.gz MABOBSFFBAETIB-LLVKDONJSA-N 1 2 293.392 1.578 20 30 CDEDLO C#CCNC(=O)COc1cccc(-n2cc[nH+]c2)c1 ZINC000747836343 576886655 /nfs/dbraw/zinc/88/66/55/576886655.db2.gz SMTOJHULDAARSA-UHFFFAOYSA-N 1 2 255.277 1.001 20 30 CDEDLO C#CCOCCC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000755625468 576952556 /nfs/dbraw/zinc/95/25/56/576952556.db2.gz QQNZPGDFQHSUAH-UHFFFAOYSA-N 1 2 271.320 1.299 20 30 CDEDLO CC(C)(C#N)C(=O)OCc1ccc(-n2cc[nH+]c2)nc1 ZINC000750332724 576984797 /nfs/dbraw/zinc/98/47/97/576984797.db2.gz CWDOBTUUJXLCGK-UHFFFAOYSA-N 1 2 270.292 1.860 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(C)=O)C[C@@H]1C ZINC000946932863 613235360 /nfs/dbraw/zinc/23/53/60/613235360.db2.gz NVOZIWFMYJIZJW-ONGXEEELSA-N 1 2 275.190 1.884 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(C)=O)C[C@@H]1C ZINC000946932863 613235361 /nfs/dbraw/zinc/23/53/61/613235361.db2.gz NVOZIWFMYJIZJW-ONGXEEELSA-N 1 2 275.190 1.884 20 30 CDEDLO C=C(C)CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCCC)C1 ZINC001690040140 1175356052 /nfs/dbraw/zinc/35/60/52/1175356052.db2.gz JNKSQBIBWDVQHG-AWEZNQCLSA-N 1 2 295.427 1.450 20 30 CDEDLO C=C(C)CCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCCC)C1 ZINC001690040140 1175356058 /nfs/dbraw/zinc/35/60/58/1175356058.db2.gz JNKSQBIBWDVQHG-AWEZNQCLSA-N 1 2 295.427 1.450 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000819845273 606965147 /nfs/dbraw/zinc/96/51/47/606965147.db2.gz SUDFBKAYMWVEAJ-VIFPVBQESA-N 1 2 274.303 1.597 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000819845273 606965148 /nfs/dbraw/zinc/96/51/48/606965148.db2.gz SUDFBKAYMWVEAJ-VIFPVBQESA-N 1 2 274.303 1.597 20 30 CDEDLO C=CC[C@@H]1CCN1C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000890550677 617203879 /nfs/dbraw/zinc/20/38/79/617203879.db2.gz ZZPLCIFYTVCVHA-YBEMTRGBSA-N 1 2 264.369 1.442 20 30 CDEDLO C#CC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)o1)C(C)C ZINC000932392203 617237679 /nfs/dbraw/zinc/23/76/79/617237679.db2.gz CCCZEZCFCIPLHN-UHFFFAOYSA-N 1 2 284.381 1.374 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)o1)C(C)C ZINC000932392203 617237682 /nfs/dbraw/zinc/23/76/82/617237682.db2.gz CCCZEZCFCIPLHN-UHFFFAOYSA-N 1 2 284.381 1.374 20 30 CDEDLO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC000971858708 613096669 /nfs/dbraw/zinc/09/66/69/613096669.db2.gz NIEINSVNUTYVOH-ZDUSSCGKSA-N 1 2 296.374 1.651 20 30 CDEDLO C#CC[N@H+](C)[C@H]1CCN(C(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC000971858708 613096670 /nfs/dbraw/zinc/09/66/70/613096670.db2.gz NIEINSVNUTYVOH-ZDUSSCGKSA-N 1 2 296.374 1.651 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2scnc2CC)C1 ZINC000966597390 613256071 /nfs/dbraw/zinc/25/60/71/613256071.db2.gz IRJKTAHHTOEGRJ-WCQYABFASA-N 1 2 291.420 1.779 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2scnc2CC)C1 ZINC000966597390 613256072 /nfs/dbraw/zinc/25/60/72/613256072.db2.gz IRJKTAHHTOEGRJ-WCQYABFASA-N 1 2 291.420 1.779 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CO[C@H](C)C2)C1 ZINC000950667819 613295102 /nfs/dbraw/zinc/29/51/02/613295102.db2.gz RXSMFEQSCPNKFJ-OLZOCXBDSA-N 1 2 266.385 1.520 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@]2(C)CCOC2)CC1 ZINC000952415531 613318826 /nfs/dbraw/zinc/31/88/26/613318826.db2.gz HERFRVZHQXSCLZ-AWEZNQCLSA-N 1 2 252.358 1.133 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cocn2)C1 ZINC000969391528 613371943 /nfs/dbraw/zinc/37/19/43/613371943.db2.gz KFRPCZCNHOXRIF-SECBINFHSA-N 1 2 269.732 1.477 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2CCC2)C1 ZINC000969185996 613371993 /nfs/dbraw/zinc/37/19/93/613371993.db2.gz JBGXWRVKKLOHAJ-JTQLQIEISA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccnnc2C)C1 ZINC000970060620 613372438 /nfs/dbraw/zinc/37/24/38/613372438.db2.gz QKTBKCUZNYQHQD-JTQLQIEISA-N 1 2 294.786 1.588 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCO2)C(C)(C)C1 ZINC000972790306 613380990 /nfs/dbraw/zinc/38/09/90/613380990.db2.gz XKBUMKVARWRJRB-RYUDHWBXSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCCO2)C(C)(C)C1 ZINC000972790306 613380991 /nfs/dbraw/zinc/38/09/91/613380991.db2.gz XKBUMKVARWRJRB-RYUDHWBXSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccon4)C[C@H]32)C1 ZINC000961688803 613402182 /nfs/dbraw/zinc/40/21/82/613402182.db2.gz DZTSSXRNPFXSQP-WDNDVIMCSA-N 1 2 287.363 1.577 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccon4)C[C@H]32)C1 ZINC000961688803 613402184 /nfs/dbraw/zinc/40/21/84/613402184.db2.gz DZTSSXRNPFXSQP-WDNDVIMCSA-N 1 2 287.363 1.577 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)F)C2)C1 ZINC000972216437 613570017 /nfs/dbraw/zinc/57/00/17/613570017.db2.gz WOUOXADZUOGAIA-HNNXBMFYSA-N 1 2 282.359 1.061 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)F)C2)C1 ZINC000972216437 613570018 /nfs/dbraw/zinc/57/00/18/613570018.db2.gz WOUOXADZUOGAIA-HNNXBMFYSA-N 1 2 282.359 1.061 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2snnc2C)C1 ZINC000965031965 613593205 /nfs/dbraw/zinc/59/32/05/613593205.db2.gz JGINVCDYHYDNCC-JQWIXIFHSA-N 1 2 292.408 1.310 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2snnc2C)C1 ZINC000965031965 613593207 /nfs/dbraw/zinc/59/32/07/613593207.db2.gz JGINVCDYHYDNCC-JQWIXIFHSA-N 1 2 292.408 1.310 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccns2)C1 ZINC000966494475 613594418 /nfs/dbraw/zinc/59/44/18/613594418.db2.gz XMZJCTGCXVCORC-NWDGAFQWSA-N 1 2 277.393 1.607 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccns2)C1 ZINC000966494475 613594420 /nfs/dbraw/zinc/59/44/20/613594420.db2.gz XMZJCTGCXVCORC-NWDGAFQWSA-N 1 2 277.393 1.607 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)C2CC(OC)C2)C1 ZINC000950573409 613653034 /nfs/dbraw/zinc/65/30/34/613653034.db2.gz VFKZITCGZSRDFC-UHFFFAOYSA-N 1 2 252.358 1.130 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)C2CCC(OC)CC2)C1 ZINC000951573449 613653041 /nfs/dbraw/zinc/65/30/41/613653041.db2.gz IPPSZWYRVZEVJW-UHFFFAOYSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CC[N@@H+]1CCCN(C(=O)c2cccc3[nH]cnc32)CC1 ZINC000982373680 613697791 /nfs/dbraw/zinc/69/77/91/613697791.db2.gz XAGOFACLCBNEIW-UHFFFAOYSA-N 1 2 284.363 1.897 20 30 CDEDLO C=CC[N@H+]1CCCN(C(=O)c2cccc3[nH]cnc32)CC1 ZINC000982373680 613697794 /nfs/dbraw/zinc/69/77/94/613697794.db2.gz XAGOFACLCBNEIW-UHFFFAOYSA-N 1 2 284.363 1.897 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@]2(C)CCCOC2)CC1 ZINC000952450114 613713801 /nfs/dbraw/zinc/71/38/01/613713801.db2.gz VQCAEEUFSAXPFN-CQSZACIVSA-N 1 2 252.358 1.133 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(-n3ccnc3)nc2)CC1 ZINC000949564098 613715593 /nfs/dbraw/zinc/71/55/93/613715593.db2.gz DZYGOKAOBYSGFT-UHFFFAOYSA-N 1 2 297.362 1.211 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(Cl)[nH]2)CC1 ZINC000950352410 613716157 /nfs/dbraw/zinc/71/61/57/613716157.db2.gz PNBZVZNWRNHWKT-UHFFFAOYSA-N 1 2 253.733 1.612 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3c(c2)ncn3C)CC1 ZINC000948958466 613716480 /nfs/dbraw/zinc/71/64/80/613716480.db2.gz VVCXNPNOOCOAEJ-UHFFFAOYSA-N 1 2 284.363 1.517 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc3[nH]ncc32)CC1 ZINC000949583002 613716878 /nfs/dbraw/zinc/71/68/78/613716878.db2.gz CYNTWCIABOTBKC-UHFFFAOYSA-N 1 2 270.336 1.507 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccccc2COC)CC1 ZINC000949079433 613716922 /nfs/dbraw/zinc/71/69/22/613716922.db2.gz OJXSOICIWLRIAN-UHFFFAOYSA-N 1 2 274.364 1.777 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cn(CC)nc2C2CC2)CC1 ZINC000948567310 613718016 /nfs/dbraw/zinc/71/80/16/613718016.db2.gz SVUPRZNUUJVYFD-UHFFFAOYSA-N 1 2 288.395 1.724 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC3(C)C)C2)C1 ZINC000972343046 613723909 /nfs/dbraw/zinc/72/39/09/613723909.db2.gz NCJXFGUCDMMTER-BBRMVZONSA-N 1 2 278.396 1.522 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC3(C)C)C2)C1 ZINC000972343046 613723912 /nfs/dbraw/zinc/72/39/12/613723912.db2.gz NCJXFGUCDMMTER-BBRMVZONSA-N 1 2 278.396 1.522 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CC4(CC4)C3)C2)C1 ZINC000972549132 613725642 /nfs/dbraw/zinc/72/56/42/613725642.db2.gz MDRVSOCZRLIYLU-QGZVFWFLSA-N 1 2 290.407 1.666 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CC4(CC4)C3)C2)C1 ZINC000972549132 613725643 /nfs/dbraw/zinc/72/56/43/613725643.db2.gz MDRVSOCZRLIYLU-QGZVFWFLSA-N 1 2 290.407 1.666 20 30 CDEDLO C[N@@H+](Cc1csc(C#N)c1)C[C@H]1CCS(=O)(=O)C1 ZINC000892097182 617478080 /nfs/dbraw/zinc/47/80/80/617478080.db2.gz UBEOUUJLOKQZEI-SNVBAGLBSA-N 1 2 284.406 1.486 20 30 CDEDLO C[N@H+](Cc1csc(C#N)c1)C[C@H]1CCS(=O)(=O)C1 ZINC000892097182 617478084 /nfs/dbraw/zinc/47/80/84/617478084.db2.gz UBEOUUJLOKQZEI-SNVBAGLBSA-N 1 2 284.406 1.486 20 30 CDEDLO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cs1 ZINC000893598840 617641388 /nfs/dbraw/zinc/64/13/88/617641388.db2.gz WXFUKPHGBHXKCB-GFCCVEGCSA-N 1 2 290.392 1.656 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cs1 ZINC000893598840 617641389 /nfs/dbraw/zinc/64/13/89/617641389.db2.gz WXFUKPHGBHXKCB-GFCCVEGCSA-N 1 2 290.392 1.656 20 30 CDEDLO C#CCOCC[NH+]1CCN([C@H](C)C(F)(F)F)CC1 ZINC000851801133 617650402 /nfs/dbraw/zinc/65/04/02/617650402.db2.gz BJBDCSGIWTUGFE-LLVKDONJSA-N 1 2 264.291 1.205 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000892760067 617713068 /nfs/dbraw/zinc/71/30/68/617713068.db2.gz ZHVXAZOXWCISOI-CQSZACIVSA-N 1 2 293.411 1.295 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000892760067 617713074 /nfs/dbraw/zinc/71/30/74/617713074.db2.gz ZHVXAZOXWCISOI-CQSZACIVSA-N 1 2 293.411 1.295 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)SC)C1 ZINC000923555551 618343627 /nfs/dbraw/zinc/34/36/27/618343627.db2.gz BMQLUYIBZOLHLB-LLVKDONJSA-N 1 2 254.399 1.342 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)SC)C1 ZINC000923555551 618343638 /nfs/dbraw/zinc/34/36/38/618343638.db2.gz BMQLUYIBZOLHLB-LLVKDONJSA-N 1 2 254.399 1.342 20 30 CDEDLO C[C@H]1C[N@H+](Cc2csc(C#N)c2)C[C@]2(CCOC2)O1 ZINC000894180616 618664933 /nfs/dbraw/zinc/66/49/33/618664933.db2.gz DXOIWLIGKLGIEZ-FZMZJTMJSA-N 1 2 278.377 2.000 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2csc(C#N)c2)C[C@]2(CCOC2)O1 ZINC000894180616 618664937 /nfs/dbraw/zinc/66/49/37/618664937.db2.gz DXOIWLIGKLGIEZ-FZMZJTMJSA-N 1 2 278.377 2.000 20 30 CDEDLO C#CC[C@H]1CCCN(c2cc(N[C@H](CC)CO)[nH+]cn2)C1 ZINC000894348430 618808223 /nfs/dbraw/zinc/80/82/23/618808223.db2.gz BBRYDHUDMURUDS-UONOGXRCSA-N 1 2 288.395 1.899 20 30 CDEDLO C#CC[C@H]1CCCN(c2cc(N[C@H](CC)CO)nc[nH+]2)C1 ZINC000894348430 618808225 /nfs/dbraw/zinc/80/82/25/618808225.db2.gz BBRYDHUDMURUDS-UONOGXRCSA-N 1 2 288.395 1.899 20 30 CDEDLO C=C1CCC(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000896187162 620020752 /nfs/dbraw/zinc/02/07/52/620020752.db2.gz OBPJGVRELZBBPX-KGLIPLIRSA-N 1 2 280.412 1.958 20 30 CDEDLO C=C1CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000898701664 621845409 /nfs/dbraw/zinc/84/54/09/621845409.db2.gz RYQFECIEYNADKM-UHFFFAOYSA-N 1 2 267.332 1.872 20 30 CDEDLO C#CCSCC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000900342683 622918127 /nfs/dbraw/zinc/91/81/27/622918127.db2.gz RRSRXOBLIXNNKG-LBPRGKRZSA-N 1 2 279.409 1.780 20 30 CDEDLO CCC[C@@H](C#N)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000900470559 623106131 /nfs/dbraw/zinc/10/61/31/623106131.db2.gz XCELSCQBJAFKID-GWCFXTLKSA-N 1 2 275.356 1.598 20 30 CDEDLO CCC[C@@H](C#N)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000900470559 623106134 /nfs/dbraw/zinc/10/61/34/623106134.db2.gz XCELSCQBJAFKID-GWCFXTLKSA-N 1 2 275.356 1.598 20 30 CDEDLO C#CC[N@H+](CN1CCN(C2CCCC2)C1=O)C(C)C ZINC000902384309 624741982 /nfs/dbraw/zinc/74/19/82/624741982.db2.gz IMWZAJGCNFJBOY-UHFFFAOYSA-N 1 2 263.385 1.968 20 30 CDEDLO C#CC[N@@H+](CN1CCN(C2CCCC2)C1=O)C(C)C ZINC000902384309 624741985 /nfs/dbraw/zinc/74/19/85/624741985.db2.gz IMWZAJGCNFJBOY-UHFFFAOYSA-N 1 2 263.385 1.968 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(C(C)=O)c[nH]2)C1 ZINC000902729659 625277628 /nfs/dbraw/zinc/27/76/28/625277628.db2.gz KVANXZJOHHCAOX-ZDUSSCGKSA-N 1 2 273.336 1.045 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C(C)=O)c[nH]2)C1 ZINC000902729659 625277636 /nfs/dbraw/zinc/27/76/36/625277636.db2.gz KVANXZJOHHCAOX-ZDUSSCGKSA-N 1 2 273.336 1.045 20 30 CDEDLO CCOc1ccc(/C=[NH+]\CCCNC(C)=O)c(O)c1 ZINC000912962691 630308918 /nfs/dbraw/zinc/30/89/18/630308918.db2.gz ZAJADWHLMQFMHY-GDNBJRDFSA-N 1 2 264.325 1.736 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N[C@H](C#N)C1CCCC1 ZINC000921549316 633073155 /nfs/dbraw/zinc/07/31/55/633073155.db2.gz XAJKSMLDLUUHHR-CYBMUJFWSA-N 1 2 260.341 1.551 20 30 CDEDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ccc(C2(C#N)CC2)cn1 ZINC001170340345 1162348028 /nfs/dbraw/zinc/34/80/28/1162348028.db2.gz OGQPWFLASYTXIA-UHFFFAOYSA-N 1 2 283.335 1.338 20 30 CDEDLO CON=Cc1ccc(C(=O)OCCc2c[nH+]cn2C)cc1 ZINC000793239371 1162405215 /nfs/dbraw/zinc/40/52/15/1162405215.db2.gz AJJHZFFKJHMGQT-UHFFFAOYSA-N 1 2 287.319 1.800 20 30 CDEDLO C=CC[C@@H]([NH2+][C@@H]1CC[C@@H](C(=O)OC)C1)C(=O)OC ZINC001170515999 1162724900 /nfs/dbraw/zinc/72/49/00/1162724900.db2.gz DCOUHSQCSYQNGR-GMTAPVOTSA-N 1 2 255.314 1.035 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@H](C)C[N@H+](C)Cc2cnnn2C)C1 ZINC001754322517 1159126679 /nfs/dbraw/zinc/12/66/79/1159126679.db2.gz FPRNSTDHPGCTOA-GFCCVEGCSA-N 1 2 291.399 1.108 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@H](C)C[N@@H+](C)Cc2cnnn2C)C1 ZINC001754322517 1159126680 /nfs/dbraw/zinc/12/66/80/1159126680.db2.gz FPRNSTDHPGCTOA-GFCCVEGCSA-N 1 2 291.399 1.108 20 30 CDEDLO C[C@@H]1C[N@H+](C[C@H](O)CC#N)CCN1C(=O)OC(C)(C)C ZINC000809575668 1163039598 /nfs/dbraw/zinc/03/95/98/1163039598.db2.gz AFHUIOHWFCSETN-VXGBXAGGSA-N 1 2 283.372 1.202 20 30 CDEDLO C[C@@H]1C[N@@H+](C[C@H](O)CC#N)CCN1C(=O)OC(C)(C)C ZINC000809575668 1163039603 /nfs/dbraw/zinc/03/96/03/1163039603.db2.gz AFHUIOHWFCSETN-VXGBXAGGSA-N 1 2 283.372 1.202 20 30 CDEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C[C@H](O)CC#N)CC1 ZINC000809574335 1163039823 /nfs/dbraw/zinc/03/98/23/1163039823.db2.gz JMFJYMVBRBNQPB-DZGCQCFKSA-N 1 2 274.368 1.035 20 30 CDEDLO C=CC[NH+]1CCC([NH2+]Cc2cc(C(=O)[O-])c(C)n2C)CC1 ZINC001602901637 1175448170 /nfs/dbraw/zinc/44/81/70/1175448170.db2.gz QEZLHPFWRXJVLN-UHFFFAOYSA-N 1 2 291.395 1.772 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001131867103 1163092909 /nfs/dbraw/zinc/09/29/09/1163092909.db2.gz JCPYTNKIPYYLJY-OAHLLOKOSA-N 1 2 295.383 1.418 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(Cl)[nH]2)CC1 ZINC001113315545 1162153090 /nfs/dbraw/zinc/15/30/90/1162153090.db2.gz JBWCLZQROZNJLL-UHFFFAOYSA-N 1 2 297.786 1.629 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001132404292 1163270038 /nfs/dbraw/zinc/27/00/38/1163270038.db2.gz ZKJWQPHYAJWBLJ-UHFFFAOYSA-N 1 2 294.399 1.785 20 30 CDEDLO Cc1cc(-c2nn[nH]n2)cc(C)c1C[N@H+](C)CCC#N ZINC001605521827 1163593970 /nfs/dbraw/zinc/59/39/70/1163593970.db2.gz UCRYXIIHLPBBJD-UHFFFAOYSA-N 1 2 270.340 1.829 20 30 CDEDLO Cc1cc(-c2nn[nH]n2)cc(C)c1C[N@@H+](C)CCC#N ZINC001605521827 1163593977 /nfs/dbraw/zinc/59/39/77/1163593977.db2.gz UCRYXIIHLPBBJD-UHFFFAOYSA-N 1 2 270.340 1.829 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001133380419 1163663820 /nfs/dbraw/zinc/66/38/20/1163663820.db2.gz FQDVAHMPIHOKJL-GWCFXTLKSA-N 1 2 282.413 1.907 20 30 CDEDLO C#C[C@H]([NH2+]Cc1nc(-c2nn[nH]n2)cs1)C(C)(C)C ZINC001609018945 1164726560 /nfs/dbraw/zinc/72/65/60/1164726560.db2.gz JSKMDQQLIVLMJM-VIFPVBQESA-N 1 2 276.369 1.461 20 30 CDEDLO C[C@H](C#N)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001609067970 1164755565 /nfs/dbraw/zinc/75/55/65/1164755565.db2.gz JCCDUSIIQHTRIV-MRVPVSSYSA-N 1 2 260.276 1.255 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](c2ccc(-c3nn[nH]n3)cc2)C1 ZINC001588430005 1173063927 /nfs/dbraw/zinc/06/39/27/1173063927.db2.gz JTCWQQQVYMUUSU-CQSZACIVSA-N 1 2 285.351 1.816 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](c2ccc(-c3nn[nH]n3)cc2)C1 ZINC001588430005 1173063934 /nfs/dbraw/zinc/06/39/34/1173063934.db2.gz JTCWQQQVYMUUSU-CQSZACIVSA-N 1 2 285.351 1.816 20 30 CDEDLO C=CC[C@H](C(=O)[O-])[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC001602835084 1175423816 /nfs/dbraw/zinc/42/38/16/1175423816.db2.gz JHKHXQXTTAVAKR-VXGBXAGGSA-N 1 2 263.341 1.629 20 30 CDEDLO C=CC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC001602835084 1175423821 /nfs/dbraw/zinc/42/38/21/1175423821.db2.gz JHKHXQXTTAVAKR-VXGBXAGGSA-N 1 2 263.341 1.629 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCOC(C)C ZINC001713446217 1178564924 /nfs/dbraw/zinc/56/49/24/1178564924.db2.gz DGKWRFKIQJJEIQ-UHFFFAOYSA-N 1 2 262.781 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCOC(C)C ZINC001713446217 1178564928 /nfs/dbraw/zinc/56/49/28/1178564928.db2.gz DGKWRFKIQJJEIQ-UHFFFAOYSA-N 1 2 262.781 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cccnc1C ZINC001753061830 1182205588 /nfs/dbraw/zinc/20/55/88/1182205588.db2.gz YEMQBPDBNSKPFQ-UHFFFAOYSA-N 1 2 267.760 1.804 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cccnc1C ZINC001753061830 1182205591 /nfs/dbraw/zinc/20/55/91/1182205591.db2.gz YEMQBPDBNSKPFQ-UHFFFAOYSA-N 1 2 267.760 1.804 20 30 CDEDLO C=C(C)CCC(=O)N(C)CC[NH2+][C@@H](C)c1nc(C)no1 ZINC001753193057 1185112531 /nfs/dbraw/zinc/11/25/31/1185112531.db2.gz FTEMGCJTIVSTHV-NSHDSACASA-N 1 2 280.372 1.843 20 30 CDEDLO C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)C(=O)N(C)C ZINC001753421484 1185196856 /nfs/dbraw/zinc/19/68/56/1185196856.db2.gz LNTDAASJHDHPLN-IHRRRGAJSA-N 1 2 293.411 1.105 20 30 CDEDLO C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)C(=O)N(C)C ZINC001753421484 1185196858 /nfs/dbraw/zinc/19/68/58/1185196858.db2.gz LNTDAASJHDHPLN-IHRRRGAJSA-N 1 2 293.411 1.105 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)c1cccc(C)c1 ZINC001754495529 1185642593 /nfs/dbraw/zinc/64/25/93/1185642593.db2.gz MNFKYQDMKKGKDN-HOCLYGCPSA-N 1 2 270.376 1.922 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)c1cccc(C)c1 ZINC001754495529 1185642600 /nfs/dbraw/zinc/64/26/00/1185642600.db2.gz MNFKYQDMKKGKDN-HOCLYGCPSA-N 1 2 270.376 1.922 20 30 CDEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)c2ccc(C)c(C)c2)C1 ZINC001754776905 1185728684 /nfs/dbraw/zinc/72/86/84/1185728684.db2.gz OJWZHEWPEMPMOU-UHFFFAOYSA-N 1 2 288.391 1.656 20 30 CDEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)CCc1ccco1 ZINC001754963662 1185771991 /nfs/dbraw/zinc/77/19/91/1185771991.db2.gz MDANAQXUEBZVNP-CQSZACIVSA-N 1 2 290.363 1.053 20 30 CDEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)CCc1ccco1 ZINC001754963662 1185771997 /nfs/dbraw/zinc/77/19/97/1185771997.db2.gz MDANAQXUEBZVNP-CQSZACIVSA-N 1 2 290.363 1.053 20 30 CDEDLO C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)c1[nH]ncc1F ZINC001755515726 1185977571 /nfs/dbraw/zinc/97/75/71/1185977571.db2.gz UDOCCSYWTUEPLP-SECBINFHSA-N 1 2 288.754 1.789 20 30 CDEDLO CC(C)C#CC(=O)NC[C@H](CO)[NH2+]C/C(Cl)=C\Cl ZINC001755627054 1186016588 /nfs/dbraw/zinc/01/65/88/1186016588.db2.gz CGMHOMWIRBFDPK-IGLBNKAOSA-N 1 2 293.194 1.032 20 30 CDEDLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1CCN(CC#N)CC1 ZINC001755843886 1186088487 /nfs/dbraw/zinc/08/84/87/1186088487.db2.gz ZBUSDROGGLCRFX-GFCCVEGCSA-N 1 2 289.383 1.083 20 30 CDEDLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1CCN(CC#N)CC1 ZINC001755843886 1186088492 /nfs/dbraw/zinc/08/84/92/1186088492.db2.gz ZBUSDROGGLCRFX-GFCCVEGCSA-N 1 2 289.383 1.083 20 30 CDEDLO C[C@H](C#N)OCC[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000321961678 1186799963 /nfs/dbraw/zinc/79/99/63/1186799963.db2.gz ZVYPWMUITADRLF-DIFFPNOSSA-N 1 2 258.387 1.148 20 30 CDEDLO C[C@H](C#N)OCC[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000321961678 1186799968 /nfs/dbraw/zinc/79/99/68/1186799968.db2.gz ZVYPWMUITADRLF-DIFFPNOSSA-N 1 2 258.387 1.148 20 30 CDEDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000879767255 1166409832 /nfs/dbraw/zinc/40/98/32/1166409832.db2.gz VYTAFPFOXUNBPK-FOGDFJRCSA-N 1 2 289.301 1.822 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)[nH]c2=O)C1 ZINC001015758886 823721705 /nfs/dbraw/zinc/72/17/05/823721705.db2.gz HSMSXOJADRSBGC-NSHDSACASA-N 1 2 295.770 1.652 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)c1ccc(C)s1 ZINC000884100615 823849792 /nfs/dbraw/zinc/84/97/92/823849792.db2.gz AALRPFDPMCANQD-MNOVXSKESA-N 1 2 296.392 1.680 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)[nH]c2=O)C1 ZINC001015758886 823721694 /nfs/dbraw/zinc/72/16/94/823721694.db2.gz HSMSXOJADRSBGC-NSHDSACASA-N 1 2 295.770 1.652 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cnns2)C1 ZINC001033767920 823884790 /nfs/dbraw/zinc/88/47/90/823884790.db2.gz WKPQNXIMEFRZLO-LLVKDONJSA-N 1 2 278.381 1.098 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnns2)C1 ZINC001033767920 823884796 /nfs/dbraw/zinc/88/47/96/823884796.db2.gz WKPQNXIMEFRZLO-LLVKDONJSA-N 1 2 278.381 1.098 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586390 823765895 /nfs/dbraw/zinc/76/58/95/823765895.db2.gz OAKMSJGQVJRQJS-ZWNOBZJWSA-N 1 2 263.297 1.862 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2CCC[N@@H+](CCF)CC2)c1 ZINC000980917590 828376619 /nfs/dbraw/zinc/37/66/19/828376619.db2.gz RMSFVWVMKWMGDU-UHFFFAOYSA-N 1 2 264.304 1.004 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2CCC[N@H+](CCF)CC2)c1 ZINC000980917590 828376631 /nfs/dbraw/zinc/37/66/31/828376631.db2.gz RMSFVWVMKWMGDU-UHFFFAOYSA-N 1 2 264.304 1.004 20 30 CDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cn[nH]c2)CC1 ZINC001004361941 828384115 /nfs/dbraw/zinc/38/41/15/828384115.db2.gz WMENMGCIRWWACI-CQSZACIVSA-N 1 2 287.367 1.250 20 30 CDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cn[nH]c2)CC1 ZINC001004361941 828384127 /nfs/dbraw/zinc/38/41/27/828384127.db2.gz WMENMGCIRWWACI-CQSZACIVSA-N 1 2 287.367 1.250 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2cnccc2c1 ZINC001038514296 828392506 /nfs/dbraw/zinc/39/25/06/828392506.db2.gz AOUHGNGNGYLGQM-OAHLLOKOSA-N 1 2 294.358 1.457 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2cnccc2c1 ZINC001038514296 828392517 /nfs/dbraw/zinc/39/25/17/828392517.db2.gz AOUHGNGNGYLGQM-OAHLLOKOSA-N 1 2 294.358 1.457 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2c1OCC2(C)C ZINC001039093184 828409497 /nfs/dbraw/zinc/40/94/97/828409497.db2.gz RAKBAAOCTUKFDA-ZDUSSCGKSA-N 1 2 298.386 1.794 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2c1OCC2(C)C ZINC001039093184 828409508 /nfs/dbraw/zinc/40/95/08/828409508.db2.gz RAKBAAOCTUKFDA-ZDUSSCGKSA-N 1 2 298.386 1.794 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001032339793 822692387 /nfs/dbraw/zinc/69/23/87/822692387.db2.gz QSAXXMGCLLEKBN-BTFPBAQTSA-N 1 2 258.365 1.341 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001032339793 822692405 /nfs/dbraw/zinc/69/24/05/822692405.db2.gz QSAXXMGCLLEKBN-BTFPBAQTSA-N 1 2 258.365 1.341 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC13CCC3)CCO2 ZINC001053450930 822750656 /nfs/dbraw/zinc/75/06/56/822750656.db2.gz PWDJVRWSRXCLAY-AWEZNQCLSA-N 1 2 290.407 1.666 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@H](F)C2)C1 ZINC001042709507 822767016 /nfs/dbraw/zinc/76/70/16/822767016.db2.gz SNJBMFQWFJHVKL-NEPJUHHUSA-N 1 2 254.349 1.843 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCO[C@@H](CC)C2)C1 ZINC001031216240 822771179 /nfs/dbraw/zinc/77/11/79/822771179.db2.gz OYNZXBQDVAZFGS-OCCSQVGLSA-N 1 2 264.369 1.015 20 30 CDEDLO CC(C)[C@]1(C)NC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853525952 828486065 /nfs/dbraw/zinc/48/60/65/828486065.db2.gz KXLAZSNYFGQOCK-WFASDCNBSA-N 1 2 292.383 1.536 20 30 CDEDLO CC(C)[C@]1(C)NC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853525952 828486083 /nfs/dbraw/zinc/48/60/83/828486083.db2.gz KXLAZSNYFGQOCK-WFASDCNBSA-N 1 2 292.383 1.536 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCOC2)C1 ZINC001042529377 828519140 /nfs/dbraw/zinc/51/91/40/828519140.db2.gz JFLWFQBRINWKEZ-GFCCVEGCSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[NH2+][C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC000999212375 823718261 /nfs/dbraw/zinc/71/82/61/823718261.db2.gz YSNILFHLBXCEQK-DTWKUNHWSA-N 1 2 268.254 1.653 20 30 CDEDLO C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000999212375 823718278 /nfs/dbraw/zinc/71/82/78/823718278.db2.gz YSNILFHLBXCEQK-DTWKUNHWSA-N 1 2 268.254 1.653 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586390 823765883 /nfs/dbraw/zinc/76/58/83/823765883.db2.gz OAKMSJGQVJRQJS-ZWNOBZJWSA-N 1 2 263.297 1.862 20 30 CDEDLO C=CC[N@H+](CC(=O)NCCC#N)Cc1cccs1 ZINC000139466280 823781986 /nfs/dbraw/zinc/78/19/86/823781986.db2.gz HBCLMCKNNUSYLZ-UHFFFAOYSA-N 1 2 263.366 1.766 20 30 CDEDLO C=CC[N@@H+](CC(=O)NCCC#N)Cc1cccs1 ZINC000139466280 823781991 /nfs/dbraw/zinc/78/19/91/823781991.db2.gz HBCLMCKNNUSYLZ-UHFFFAOYSA-N 1 2 263.366 1.766 20 30 CDEDLO CN(Cc1cc(C#N)cs1)C(=O)CCn1cc[nH+]c1 ZINC000887970514 823785182 /nfs/dbraw/zinc/78/51/82/823785182.db2.gz CJFVYXRLOZTZHB-UHFFFAOYSA-N 1 2 274.349 1.865 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933397389 823793318 /nfs/dbraw/zinc/79/33/18/823793318.db2.gz BVOQRUKRDAIZSK-GFCCVEGCSA-N 1 2 290.367 1.227 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933397389 823793338 /nfs/dbraw/zinc/79/33/38/823793338.db2.gz BVOQRUKRDAIZSK-GFCCVEGCSA-N 1 2 290.367 1.227 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C)CC[C@@H]1C ZINC000884143310 823829496 /nfs/dbraw/zinc/82/94/96/823829496.db2.gz DNNQYRMLBXRTKX-WOPDTQHZSA-N 1 2 268.357 1.080 20 30 CDEDLO CCC(CC)[C@@H](C(=O)NCCC#N)[NH+]1CCOCC1 ZINC000427638344 823833245 /nfs/dbraw/zinc/83/32/45/823833245.db2.gz UCBZFDJXIYEWPB-ZDUSSCGKSA-N 1 2 267.373 1.153 20 30 CDEDLO C=CC[N@H+](CN1CC(=O)N(C(C)C)C1=O)[C@H](C)COC ZINC000853532743 828577125 /nfs/dbraw/zinc/57/71/25/828577125.db2.gz KYIGOZBVTSEMHN-GFCCVEGCSA-N 1 2 283.372 1.139 20 30 CDEDLO C=CC[N@@H+](CN1CC(=O)N(C(C)C)C1=O)[C@H](C)COC ZINC000853532743 828577137 /nfs/dbraw/zinc/57/71/37/828577137.db2.gz KYIGOZBVTSEMHN-GFCCVEGCSA-N 1 2 283.372 1.139 20 30 CDEDLO c1cn2c(cccc2CN=Nc2nc3ccccn3n2)[nH+]1 ZINC000790197263 823878548 /nfs/dbraw/zinc/87/85/48/823878548.db2.gz NIHJNOUEUCZUTE-UHFFFAOYSA-N 1 2 277.291 1.823 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(NC(=O)CC)c1 ZINC001038318960 823898411 /nfs/dbraw/zinc/89/84/11/823898411.db2.gz VHABWURFAIPPDE-OAHLLOKOSA-N 1 2 299.374 1.472 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(NC(=O)CC)c1 ZINC001038318960 823898400 /nfs/dbraw/zinc/89/84/00/823898400.db2.gz VHABWURFAIPPDE-OAHLLOKOSA-N 1 2 299.374 1.472 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NCCOCC#C ZINC000853476925 823964628 /nfs/dbraw/zinc/96/46/28/823964628.db2.gz MBNRJLBYPUNZMV-UHFFFAOYSA-N 1 2 258.321 1.936 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2nn(C)c3ccccc23)C1 ZINC001042730264 823969124 /nfs/dbraw/zinc/96/91/24/823969124.db2.gz ZEZHXRLHKXSGDO-UHFFFAOYSA-N 1 2 298.390 1.444 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(C)c1 ZINC001032683824 823984414 /nfs/dbraw/zinc/98/44/14/823984414.db2.gz SXBOWNHDOSDPSS-STQMWFEESA-N 1 2 260.362 1.588 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(C)c1 ZINC001032683824 823984429 /nfs/dbraw/zinc/98/44/29/823984429.db2.gz SXBOWNHDOSDPSS-STQMWFEESA-N 1 2 260.362 1.588 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2scnc2C2CC2)C1 ZINC001015810970 824038019 /nfs/dbraw/zinc/03/80/19/824038019.db2.gz WEDVHLTVMAJADH-LBPRGKRZSA-N 1 2 289.404 1.848 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2scnc2C2CC2)C1 ZINC001015810970 824038025 /nfs/dbraw/zinc/03/80/25/824038025.db2.gz WEDVHLTVMAJADH-LBPRGKRZSA-N 1 2 289.404 1.848 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cnc(C)o2)C1 ZINC001014706067 824108041 /nfs/dbraw/zinc/10/80/41/824108041.db2.gz OCOKDEKLPAGXAS-LLVKDONJSA-N 1 2 283.759 1.469 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnc(C)o2)C1 ZINC001014706067 824108049 /nfs/dbraw/zinc/10/80/49/824108049.db2.gz OCOKDEKLPAGXAS-LLVKDONJSA-N 1 2 283.759 1.469 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cncc(C)c1 ZINC001038130268 824129513 /nfs/dbraw/zinc/12/95/13/824129513.db2.gz NPBRUWYOXWCCBM-AWEZNQCLSA-N 1 2 257.337 1.217 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cncc(C)c1 ZINC001038130268 824129526 /nfs/dbraw/zinc/12/95/26/824129526.db2.gz NPBRUWYOXWCCBM-AWEZNQCLSA-N 1 2 257.337 1.217 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2ncccc2O)CC[C@H]1C ZINC001071454458 824160510 /nfs/dbraw/zinc/16/05/10/824160510.db2.gz LVUIOAYDDBLXMG-VXGBXAGGSA-N 1 2 273.336 1.003 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2ncccc2O)CC[C@H]1C ZINC001071454458 824160514 /nfs/dbraw/zinc/16/05/14/824160514.db2.gz LVUIOAYDDBLXMG-VXGBXAGGSA-N 1 2 273.336 1.003 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875556224 824174391 /nfs/dbraw/zinc/17/43/91/824174391.db2.gz FOTWHWLQOCEQLK-UONOGXRCSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875556224 824174394 /nfs/dbraw/zinc/17/43/94/824174394.db2.gz FOTWHWLQOCEQLK-UONOGXRCSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1CCC ZINC000884315147 824182433 /nfs/dbraw/zinc/18/24/33/824182433.db2.gz HOQISSLFKBDTME-STQMWFEESA-N 1 2 282.384 1.614 20 30 CDEDLO C#CCC[C@@H](O)CNc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000828081511 824213176 /nfs/dbraw/zinc/21/31/76/824213176.db2.gz ZCMZGFQIDYPTCU-GFCCVEGCSA-N 1 2 284.363 1.882 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2nc(C)oc2c1 ZINC001038367390 828625383 /nfs/dbraw/zinc/62/53/83/828625383.db2.gz OKRPAPGEJPKPMM-ZDUSSCGKSA-N 1 2 283.331 1.574 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2nc(C)oc2c1 ZINC001038367390 828625396 /nfs/dbraw/zinc/62/53/96/828625396.db2.gz OKRPAPGEJPKPMM-ZDUSSCGKSA-N 1 2 283.331 1.574 20 30 CDEDLO C=CCn1cccc1C(=O)NC1C[NH+](CCCF)C1 ZINC001030446230 824250776 /nfs/dbraw/zinc/25/07/76/824250776.db2.gz ARFKMSNKBNERCF-UHFFFAOYSA-N 1 2 265.332 1.448 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ncccn1 ZINC000960504477 824262921 /nfs/dbraw/zinc/26/29/21/824262921.db2.gz VICOBXKDGUBZLD-CHWSQXEVSA-N 1 2 287.367 1.059 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ncccn1 ZINC000960504477 824262930 /nfs/dbraw/zinc/26/29/30/824262930.db2.gz VICOBXKDGUBZLD-CHWSQXEVSA-N 1 2 287.367 1.059 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccccc1)CO2 ZINC001053849214 824338921 /nfs/dbraw/zinc/33/89/21/824338921.db2.gz DNDWTLAIBWSXBY-INIZCTEOSA-N 1 2 298.386 1.212 20 30 CDEDLO CC(C)=CC[NH+]1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001042589762 824345919 /nfs/dbraw/zinc/34/59/19/824345919.db2.gz NNLSJTSMLXXPCM-UHFFFAOYSA-N 1 2 272.352 1.609 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C2(C)CCOCC2)C1 ZINC001031106356 824347962 /nfs/dbraw/zinc/34/79/62/824347962.db2.gz NXESCDGMXTVRII-UHFFFAOYSA-N 1 2 252.358 1.180 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](NC(C)=O)C2)c1 ZINC001006499753 824354457 /nfs/dbraw/zinc/35/44/57/824354457.db2.gz VVFQQWMTTKQUFW-MRXNPFEDSA-N 1 2 299.374 1.207 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](NC(C)=O)C2)c1 ZINC001006499753 824354467 /nfs/dbraw/zinc/35/44/67/824354467.db2.gz VVFQQWMTTKQUFW-MRXNPFEDSA-N 1 2 299.374 1.207 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1coc2ccccc12 ZINC001039079628 824359991 /nfs/dbraw/zinc/35/99/91/824359991.db2.gz YZBYQZOFYAGFOK-GFCCVEGCSA-N 1 2 268.316 1.870 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc2ccccc12 ZINC001039079628 824359996 /nfs/dbraw/zinc/35/99/96/824359996.db2.gz YZBYQZOFYAGFOK-GFCCVEGCSA-N 1 2 268.316 1.870 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1cc(Br)nn1C ZINC000787288979 824364727 /nfs/dbraw/zinc/36/47/27/824364727.db2.gz HDECNOVSQBOBHC-UHFFFAOYSA-N 1 2 288.189 1.817 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1cc(Br)nn1C ZINC000787288979 824364731 /nfs/dbraw/zinc/36/47/31/824364731.db2.gz HDECNOVSQBOBHC-UHFFFAOYSA-N 1 2 288.189 1.817 20 30 CDEDLO N#C[C@@]1(NC(=O)CNc2cccc[nH+]2)CCSC1 ZINC000900463801 824382985 /nfs/dbraw/zinc/38/29/85/824382985.db2.gz GULFTAKBHUYVNP-LBPRGKRZSA-N 1 2 262.338 1.009 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C)o1)CO2 ZINC001053731271 824406669 /nfs/dbraw/zinc/40/66/69/824406669.db2.gz RYNRPVGKRLYASR-CYBMUJFWSA-N 1 2 288.347 1.184 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH]c2cnccc12 ZINC001032589094 824414820 /nfs/dbraw/zinc/41/48/20/824414820.db2.gz XKBGQUFMCFRMHD-KBPBESRZSA-N 1 2 294.358 1.024 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH]c2cnccc12 ZINC001032589094 824414825 /nfs/dbraw/zinc/41/48/25/824414825.db2.gz XKBGQUFMCFRMHD-KBPBESRZSA-N 1 2 294.358 1.024 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2(c3cc(C)no3)CC2)C1 ZINC001043628601 824434263 /nfs/dbraw/zinc/43/42/63/824434263.db2.gz KFYDHFHEVWNKFE-UHFFFAOYSA-N 1 2 289.379 1.733 20 30 CDEDLO C=CCC1(O)CC[NH+](CC(=O)N(C)c2nccs2)CC1 ZINC000886763890 824465845 /nfs/dbraw/zinc/46/58/45/824465845.db2.gz HBSAEEZHDXPDAG-UHFFFAOYSA-N 1 2 295.408 1.509 20 30 CDEDLO N#CCCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883656116 824473739 /nfs/dbraw/zinc/47/37/39/824473739.db2.gz TWNUUNAPECRZLP-CQSZACIVSA-N 1 2 283.335 1.837 20 30 CDEDLO C[C@@H](CNC(=O)C#Cc1ccccc1)Cn1cc[nH+]c1 ZINC000081801819 824474147 /nfs/dbraw/zinc/47/41/47/824474147.db2.gz UEPKABSMXLTDHZ-AWEZNQCLSA-N 1 2 267.332 1.687 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccccc2OC)C1 ZINC001031356810 824476800 /nfs/dbraw/zinc/47/68/00/824476800.db2.gz QACVHGDZYOSTFT-UHFFFAOYSA-N 1 2 272.348 1.061 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2CCCCCC2)C1 ZINC001035308854 824503047 /nfs/dbraw/zinc/50/30/47/824503047.db2.gz ASIMVVLNKXOLMG-HNNXBMFYSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C2CCCCCC2)C1 ZINC001035308854 824503050 /nfs/dbraw/zinc/50/30/50/824503050.db2.gz ASIMVVLNKXOLMG-HNNXBMFYSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1OCC ZINC001032820325 824562519 /nfs/dbraw/zinc/56/25/19/824562519.db2.gz SEDVHJNLVLRAGD-STQMWFEESA-N 1 2 287.363 1.565 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1OCC ZINC001032820325 824562525 /nfs/dbraw/zinc/56/25/25/824562525.db2.gz SEDVHJNLVLRAGD-STQMWFEESA-N 1 2 287.363 1.565 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2COc3ccccc3O2)C1 ZINC001031348052 824574778 /nfs/dbraw/zinc/57/47/78/824574778.db2.gz WFSZNRSJINUENW-HNNXBMFYSA-N 1 2 288.347 1.203 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cccc1C ZINC001032644474 824599621 /nfs/dbraw/zinc/59/96/21/824599621.db2.gz FNBJMFIOQWONQR-GJZGRUSLSA-N 1 2 268.360 1.835 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cccc1C ZINC001032644474 824599632 /nfs/dbraw/zinc/59/96/32/824599632.db2.gz FNBJMFIOQWONQR-GJZGRUSLSA-N 1 2 268.360 1.835 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cncc(OC)c2)nn1 ZINC000850331407 824638955 /nfs/dbraw/zinc/63/89/55/824638955.db2.gz YJGMVONVHVXDSM-UHFFFAOYSA-N 1 2 259.313 1.158 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C)o1)O2 ZINC001053567447 824745305 /nfs/dbraw/zinc/74/53/05/824745305.db2.gz AOASALVQQKJUOU-CYBMUJFWSA-N 1 2 290.363 1.737 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccncc1)CO2 ZINC001053720948 824758831 /nfs/dbraw/zinc/75/88/31/824758831.db2.gz JLGBWQLKARNOOT-CQSZACIVSA-N 1 2 287.363 1.231 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2nnc[nH]2)CC1 ZINC001052853152 824784413 /nfs/dbraw/zinc/78/44/13/824784413.db2.gz PCDBHWHKDLUNIS-NSHDSACASA-N 1 2 297.790 1.070 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ncc(OC)cc2F)CC1 ZINC000865086413 828702207 /nfs/dbraw/zinc/70/22/07/828702207.db2.gz VKIIAMWWUKPDJA-UHFFFAOYSA-N 1 2 291.326 1.010 20 30 CDEDLO C=CCc1cc(OC)cc(C[N@@H+]2CCN(C)C(=O)C2)c1O ZINC000844729547 824805029 /nfs/dbraw/zinc/80/50/29/824805029.db2.gz HFSFFMCWRNNGIA-UHFFFAOYSA-N 1 2 290.363 1.403 20 30 CDEDLO C=CCc1cc(OC)cc(C[N@H+]2CCN(C)C(=O)C2)c1O ZINC000844729547 824805035 /nfs/dbraw/zinc/80/50/35/824805035.db2.gz HFSFFMCWRNNGIA-UHFFFAOYSA-N 1 2 290.363 1.403 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC2CCC1CC2 ZINC001032805820 824830811 /nfs/dbraw/zinc/83/08/11/824830811.db2.gz JBORZYDVDJWERD-XJCPWDRGSA-N 1 2 272.392 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC2CCC1CC2 ZINC001032805820 824830815 /nfs/dbraw/zinc/83/08/15/824830815.db2.gz JBORZYDVDJWERD-XJCPWDRGSA-N 1 2 272.392 1.731 20 30 CDEDLO COc1cccc(/C=N\[C@H](C)C[NH+]2CCOCC2)c1O ZINC000255430431 824851298 /nfs/dbraw/zinc/85/12/98/824851298.db2.gz BFUGQFBGUBXVHL-YUSFRKCESA-N 1 2 278.352 1.540 20 30 CDEDLO C=C(C)CNC(=S)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000788333690 824863501 /nfs/dbraw/zinc/86/35/01/824863501.db2.gz PCKJBNSBFURFBK-GFCCVEGCSA-N 1 2 271.430 1.090 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CCCO1)CO2 ZINC001053747514 824966508 /nfs/dbraw/zinc/96/65/08/824966508.db2.gz AAZGDAPGSSISIX-UONOGXRCSA-N 1 2 294.395 1.091 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)c1ncc(C)s1 ZINC000884231497 825034434 /nfs/dbraw/zinc/03/44/34/825034434.db2.gz SKKGMHHXQVYXTR-ZJUUUORDSA-N 1 2 297.380 1.075 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C2(c3ccccc3OC)CC2)C1 ZINC001031482204 825044206 /nfs/dbraw/zinc/04/42/06/825044206.db2.gz WDEKCJCIOVYMBY-UHFFFAOYSA-N 1 2 298.386 1.551 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(Cl)cc2OC)C1 ZINC001030863029 825051121 /nfs/dbraw/zinc/05/11/21/825051121.db2.gz CDHYSMJFUNMHJN-UHFFFAOYSA-N 1 2 292.766 1.786 20 30 CDEDLO CC(C)(C)CCNC(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000092916738 828733196 /nfs/dbraw/zinc/73/31/96/828733196.db2.gz JNWNDAIVJIRIET-UHFFFAOYSA-N 1 2 292.383 1.465 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2ccccc2nc1C ZINC001038309519 825111551 /nfs/dbraw/zinc/11/15/51/825111551.db2.gz BLCHCYLGHWTBJI-OAHLLOKOSA-N 1 2 293.370 1.981 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2ccccc2nc1C ZINC001038309519 825111557 /nfs/dbraw/zinc/11/15/57/825111557.db2.gz BLCHCYLGHWTBJI-OAHLLOKOSA-N 1 2 293.370 1.981 20 30 CDEDLO C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001033083754 825130193 /nfs/dbraw/zinc/13/01/93/825130193.db2.gz KNHDIWNCBOEKTP-CHWSQXEVSA-N 1 2 288.395 1.548 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001033083754 825130202 /nfs/dbraw/zinc/13/02/02/825130202.db2.gz KNHDIWNCBOEKTP-CHWSQXEVSA-N 1 2 288.395 1.548 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc[n+]([O-])cc1 ZINC001027741413 825201721 /nfs/dbraw/zinc/20/17/21/825201721.db2.gz DKGWBRNPEFCFBB-ZDUSSCGKSA-N 1 2 295.770 1.267 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc[n+]([O-])cc1 ZINC001027741413 825201729 /nfs/dbraw/zinc/20/17/29/825201729.db2.gz DKGWBRNPEFCFBB-ZDUSSCGKSA-N 1 2 295.770 1.267 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(C)[nH]c2=O)C1 ZINC001043970623 825250572 /nfs/dbraw/zinc/25/05/72/825250572.db2.gz CUEYGLRIOISHQG-UHFFFAOYSA-N 1 2 275.352 1.428 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)CC)CC2)C1 ZINC001065691976 825291070 /nfs/dbraw/zinc/29/10/70/825291070.db2.gz NQBHBNLVKAWETM-AWEZNQCLSA-N 1 2 293.411 1.108 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(CCCC)c1C ZINC001038906218 825312084 /nfs/dbraw/zinc/31/20/84/825312084.db2.gz VJLHVKBHJGBXMY-CQSZACIVSA-N 1 2 288.395 1.429 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(CCCC)c1C ZINC001038906218 825312091 /nfs/dbraw/zinc/31/20/91/825312091.db2.gz VJLHVKBHJGBXMY-CQSZACIVSA-N 1 2 288.395 1.429 20 30 CDEDLO C[C@@H]1CCSCC[N@@H+]1Cn1cccc(C#N)c1=O ZINC000790475732 825332496 /nfs/dbraw/zinc/33/24/96/825332496.db2.gz ASNCRIGXEWTCHV-LLVKDONJSA-N 1 2 263.366 1.505 20 30 CDEDLO C[C@@H]1CCSCC[N@H+]1Cn1cccc(C#N)c1=O ZINC000790475732 825332504 /nfs/dbraw/zinc/33/25/04/825332504.db2.gz ASNCRIGXEWTCHV-LLVKDONJSA-N 1 2 263.366 1.505 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2[nH]c(C)nc2c1 ZINC001038333323 825339373 /nfs/dbraw/zinc/33/93/73/825339373.db2.gz RABWYLYAEMPVFZ-ZDUSSCGKSA-N 1 2 297.362 1.094 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2[nH]c(C)nc2c1 ZINC001038333323 825339383 /nfs/dbraw/zinc/33/93/83/825339383.db2.gz RABWYLYAEMPVFZ-ZDUSSCGKSA-N 1 2 297.362 1.094 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2ccsc2c1 ZINC001038586471 825367194 /nfs/dbraw/zinc/36/71/94/825367194.db2.gz PNCFCZLTYXVKRP-LBPRGKRZSA-N 1 2 285.372 1.734 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2ccsc2c1 ZINC001038586471 825367203 /nfs/dbraw/zinc/36/72/03/825367203.db2.gz PNCFCZLTYXVKRP-LBPRGKRZSA-N 1 2 285.372 1.734 20 30 CDEDLO C#CCO[C@@H](C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000822325897 825379839 /nfs/dbraw/zinc/37/98/39/825379839.db2.gz AALQXSKJAPXTRJ-ZDUSSCGKSA-N 1 2 287.363 1.336 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnn(C)c2)[C@H]1C ZINC000993037188 825383589 /nfs/dbraw/zinc/38/35/89/825383589.db2.gz NHVOTVPNQNGYLE-DGCLKSJQSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnn(C)c2)[C@H]1C ZINC000993037188 825383601 /nfs/dbraw/zinc/38/36/01/825383601.db2.gz NHVOTVPNQNGYLE-DGCLKSJQSA-N 1 2 296.802 1.755 20 30 CDEDLO Cc1nc(NC[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001060002903 825401256 /nfs/dbraw/zinc/40/12/56/825401256.db2.gz FZFATRJTIKZZDC-AAEUAGOBSA-N 1 2 287.367 1.595 20 30 CDEDLO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1n[nH]c2ccccc21 ZINC001028296555 825420000 /nfs/dbraw/zinc/42/00/00/825420000.db2.gz ZFMKYSLKYVNXBH-GFCCVEGCSA-N 1 2 284.363 1.943 20 30 CDEDLO C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1n[nH]c2ccccc21 ZINC001028296555 825420019 /nfs/dbraw/zinc/42/00/19/825420019.db2.gz ZFMKYSLKYVNXBH-GFCCVEGCSA-N 1 2 284.363 1.943 20 30 CDEDLO Cc1cc(C)c(C(=O)N2CCCN(CC#N)CC2)c(C)[nH+]1 ZINC000981654052 825421595 /nfs/dbraw/zinc/42/15/95/825421595.db2.gz LSWWZCQQSWRBSR-UHFFFAOYSA-N 1 2 286.379 1.678 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(Cl)ccc2OC)C1 ZINC001031348812 825449109 /nfs/dbraw/zinc/44/91/09/825449109.db2.gz BNPUWBLCILDEAC-UHFFFAOYSA-N 1 2 292.766 1.786 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC13CCC3)CO2 ZINC001053941813 825561496 /nfs/dbraw/zinc/56/14/96/825561496.db2.gz GFLGIPQMBYGKEX-KGLIPLIRSA-N 1 2 288.391 1.159 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2n[nH]cc2c1 ZINC001032591186 825564470 /nfs/dbraw/zinc/56/44/70/825564470.db2.gz CECJQWJZKGFRBM-KBPBESRZSA-N 1 2 280.331 1.095 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2n[nH]cc2c1 ZINC001032591186 825564474 /nfs/dbraw/zinc/56/44/74/825564474.db2.gz CECJQWJZKGFRBM-KBPBESRZSA-N 1 2 280.331 1.095 20 30 CDEDLO C#CCC[NH+]1CCN(CC[S@@](=O)c2ccccc2)CC1 ZINC000127335534 828801836 /nfs/dbraw/zinc/80/18/36/828801836.db2.gz HPZXJUVIVJSNSG-FQEVSTJZSA-N 1 2 290.432 1.435 20 30 CDEDLO C#CCCN1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000127335534 828801838 /nfs/dbraw/zinc/80/18/38/828801838.db2.gz HPZXJUVIVJSNSG-FQEVSTJZSA-N 1 2 290.432 1.435 20 30 CDEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001007749826 825607840 /nfs/dbraw/zinc/60/78/40/825607840.db2.gz AAHYIYGBTQGEEX-GFCCVEGCSA-N 1 2 288.395 1.669 20 30 CDEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001007749826 825607847 /nfs/dbraw/zinc/60/78/47/825607847.db2.gz AAHYIYGBTQGEEX-GFCCVEGCSA-N 1 2 288.395 1.669 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(C)c1CCC ZINC001038458986 825626651 /nfs/dbraw/zinc/62/66/51/825626651.db2.gz ZIIFPBAQXXDZIU-ZDUSSCGKSA-N 1 2 288.395 1.200 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(C)c1CCC ZINC001038458986 825626674 /nfs/dbraw/zinc/62/66/74/825626674.db2.gz ZIIFPBAQXXDZIU-ZDUSSCGKSA-N 1 2 288.395 1.200 20 30 CDEDLO COc1cccc(C[NH+]2CCN(C(=O)[C@H](C)C#N)CC2)c1 ZINC000870156702 828800817 /nfs/dbraw/zinc/80/08/17/828800817.db2.gz CFXQTRJEBXCEPY-CYBMUJFWSA-N 1 2 287.363 1.499 20 30 CDEDLO C=CCN(CCC#N)C(=O)c1cccc2[nH+]ccn21 ZINC000816803137 825685938 /nfs/dbraw/zinc/68/59/38/825685938.db2.gz NSRFAGSSVGZFAR-UHFFFAOYSA-N 1 2 254.293 1.876 20 30 CDEDLO C=C(Br)CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000049301553 825686525 /nfs/dbraw/zinc/68/65/25/825686525.db2.gz PXCNPPCVBCZGGQ-SECBINFHSA-N 1 2 287.161 1.479 20 30 CDEDLO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(OC)ns1 ZINC001024443625 828811263 /nfs/dbraw/zinc/81/12/63/828811263.db2.gz NDPUVAKOMIWHPE-NSHDSACASA-N 1 2 293.392 1.369 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(OC)ns1 ZINC001024443625 828811266 /nfs/dbraw/zinc/81/12/66/828811266.db2.gz NDPUVAKOMIWHPE-NSHDSACASA-N 1 2 293.392 1.369 20 30 CDEDLO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1scnc1Cl ZINC001039035813 828813170 /nfs/dbraw/zinc/81/31/70/828813170.db2.gz DYOTVLNHHACJFQ-VIFPVBQESA-N 1 2 283.784 1.624 20 30 CDEDLO C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1scnc1Cl ZINC001039035813 828813176 /nfs/dbraw/zinc/81/31/76/828813176.db2.gz DYOTVLNHHACJFQ-VIFPVBQESA-N 1 2 283.784 1.624 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1[C@H](CC)CC[C@@H]1C ZINC000884329609 825723095 /nfs/dbraw/zinc/72/30/95/825723095.db2.gz QVXHVXXMRKAZMS-TUAOUCFPSA-N 1 2 268.357 1.223 20 30 CDEDLO C=CCC(F)(F)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000814860415 828818124 /nfs/dbraw/zinc/81/81/24/828818124.db2.gz ANDCGQXBKOSEAM-LBPRGKRZSA-N 1 2 290.354 1.671 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2nnnn2C(C)(C)C)CC1 ZINC000886776618 828818657 /nfs/dbraw/zinc/81/86/57/828818657.db2.gz LDBRQXAKFROHBT-UHFFFAOYSA-N 1 2 279.388 1.331 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1c(C)coc1C ZINC001050901479 828819071 /nfs/dbraw/zinc/81/90/71/828819071.db2.gz AOTWWCRGLZINBP-CQSZACIVSA-N 1 2 292.379 1.903 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1c(C)coc1C ZINC001050901479 828819072 /nfs/dbraw/zinc/81/90/72/828819072.db2.gz AOTWWCRGLZINBP-CQSZACIVSA-N 1 2 292.379 1.903 20 30 CDEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C#CC1CC1 ZINC000837485480 828820022 /nfs/dbraw/zinc/82/00/22/828820022.db2.gz UWUNMRNAWFNUTF-UHFFFAOYSA-N 1 2 285.347 1.579 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(C)cc2)CC1 ZINC000989648433 825846342 /nfs/dbraw/zinc/84/63/42/825846342.db2.gz NHHXCBNKEGXYTG-UHFFFAOYSA-N 1 2 299.374 1.101 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(C)cc2)CC1 ZINC000989648433 825846344 /nfs/dbraw/zinc/84/63/44/825846344.db2.gz NHHXCBNKEGXYTG-UHFFFAOYSA-N 1 2 299.374 1.101 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001046623958 825857411 /nfs/dbraw/zinc/85/74/11/825857411.db2.gz FFKRFMQFTYAPRA-SCDSUCTJSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001046623958 825857415 /nfs/dbraw/zinc/85/74/15/825857415.db2.gz FFKRFMQFTYAPRA-SCDSUCTJSA-N 1 2 286.803 1.745 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001035500949 825872527 /nfs/dbraw/zinc/87/25/27/825872527.db2.gz SEZGPGYCIDFBSY-LZWOXQAQSA-N 1 2 278.396 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001035500949 825872529 /nfs/dbraw/zinc/87/25/29/825872529.db2.gz SEZGPGYCIDFBSY-LZWOXQAQSA-N 1 2 278.396 1.570 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccon2)C1 ZINC001046157691 825886991 /nfs/dbraw/zinc/88/69/91/825886991.db2.gz XJOZSSBAODSEEA-GFCCVEGCSA-N 1 2 269.732 1.621 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccon2)C1 ZINC001046157691 825886994 /nfs/dbraw/zinc/88/69/94/825886994.db2.gz XJOZSSBAODSEEA-GFCCVEGCSA-N 1 2 269.732 1.621 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1Cc2ccccc2O1 ZINC001032419611 826011156 /nfs/dbraw/zinc/01/11/56/826011156.db2.gz CCKPXNQGBOJQTN-JYJNAYRXSA-N 1 2 296.370 1.299 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1Cc2ccccc2O1 ZINC001032419611 826011168 /nfs/dbraw/zinc/01/11/68/826011168.db2.gz CCKPXNQGBOJQTN-JYJNAYRXSA-N 1 2 296.370 1.299 20 30 CDEDLO C#CC[C@H](NC1CCN(c2cccc[nH+]2)CC1)C(=O)OC ZINC000839168191 826033336 /nfs/dbraw/zinc/03/33/36/826033336.db2.gz IWEWYZJZJPCUQV-AWEZNQCLSA-N 1 2 287.363 1.205 20 30 CDEDLO N#C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000921547031 826036111 /nfs/dbraw/zinc/03/61/11/826036111.db2.gz HBNMQMWGSWKVOK-QWHCGFSZSA-N 1 2 272.352 1.644 20 30 CDEDLO Cc1ccc(C(=O)OCCc2c[nH+]cn2C)cc1C#N ZINC000793251866 826040354 /nfs/dbraw/zinc/04/03/54/826040354.db2.gz VATKUNGRHZIAQF-UHFFFAOYSA-N 1 2 269.304 2.000 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cc(C#N)ccc1F ZINC000847530014 826047346 /nfs/dbraw/zinc/04/73/46/826047346.db2.gz XCCBBKKSICKCRS-SNVBAGLBSA-N 1 2 286.310 1.915 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cc(C#N)ccc1F ZINC000847530014 826047353 /nfs/dbraw/zinc/04/73/53/826047353.db2.gz XCCBBKKSICKCRS-SNVBAGLBSA-N 1 2 286.310 1.915 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cncc(C(F)(F)F)c2)C1 ZINC001031197330 826108369 /nfs/dbraw/zinc/10/83/69/826108369.db2.gz GTPRMRYYFMRDNI-UHFFFAOYSA-N 1 2 297.280 1.538 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(C2CC2)n1 ZINC001038778651 826177750 /nfs/dbraw/zinc/17/77/50/826177750.db2.gz CWUCRUXAHBLBOP-NSHDSACASA-N 1 2 261.325 1.542 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1coc(C2CC2)n1 ZINC001038778651 826177767 /nfs/dbraw/zinc/17/77/67/826177767.db2.gz CWUCRUXAHBLBOP-NSHDSACASA-N 1 2 261.325 1.542 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000884157277 826235661 /nfs/dbraw/zinc/23/56/61/826235661.db2.gz WTBUOFJQTUBETD-RQJABVFESA-N 1 2 294.395 1.518 20 30 CDEDLO CN(C)C(=O)C[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000929224105 826249067 /nfs/dbraw/zinc/24/90/67/826249067.db2.gz IYFVCBDBIYLHNM-UHFFFAOYSA-N 1 2 265.744 1.732 20 30 CDEDLO CN(C)C(=O)C[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000929224105 826249075 /nfs/dbraw/zinc/24/90/75/826249075.db2.gz IYFVCBDBIYLHNM-UHFFFAOYSA-N 1 2 265.744 1.732 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3oc(=O)[nH]c3c2)C1 ZINC001030479972 826276364 /nfs/dbraw/zinc/27/63/64/826276364.db2.gz BWCMMZVVKKTHPC-UHFFFAOYSA-N 1 2 287.319 1.524 20 30 CDEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](F)CC)C2)CC1 ZINC001052062681 826301007 /nfs/dbraw/zinc/30/10/07/826301007.db2.gz MSRYZBBWUCNUBS-UONOGXRCSA-N 1 2 283.391 1.139 20 30 CDEDLO C=CCC(F)(F)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000815328051 826302858 /nfs/dbraw/zinc/30/28/58/826302858.db2.gz BWYDNZUNMPFQNC-UHFFFAOYSA-N 1 2 268.263 1.883 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2cc(OC)ns2)CC[C@@H]1C ZINC001071519164 826304877 /nfs/dbraw/zinc/30/48/77/826304877.db2.gz VYFSFVDRHHINTA-WDEREUQCSA-N 1 2 293.392 1.368 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2cc(OC)ns2)CC[C@@H]1C ZINC001071519164 826304888 /nfs/dbraw/zinc/30/48/88/826304888.db2.gz VYFSFVDRHHINTA-WDEREUQCSA-N 1 2 293.392 1.368 20 30 CDEDLO Cn1c(=O)[nH]cc(C(=O)C=Cc2c[nH+]c3ccccn23)c1=O ZINC000255549272 826311325 /nfs/dbraw/zinc/31/13/25/826311325.db2.gz ARZFHPJFYUWZDY-WAYWQWQTSA-N 1 2 296.286 1.030 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCCOC1 ZINC001018278559 826317839 /nfs/dbraw/zinc/31/78/39/826317839.db2.gz BCDNSEFHKVQBNT-SOUVJXGZSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCCOC1 ZINC001018278559 826317847 /nfs/dbraw/zinc/31/78/47/826317847.db2.gz BCDNSEFHKVQBNT-SOUVJXGZSA-N 1 2 276.380 1.112 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[N@H+](Cc2ccns2)CC1 ZINC000980848866 826325518 /nfs/dbraw/zinc/32/55/18/826325518.db2.gz CJRHVVLWDNMNTB-NSHDSACASA-N 1 2 278.381 1.337 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[N@@H+](Cc2ccns2)CC1 ZINC000980848866 826325525 /nfs/dbraw/zinc/32/55/25/826325525.db2.gz CJRHVVLWDNMNTB-NSHDSACASA-N 1 2 278.381 1.337 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccn(C)n2)[C@@H]1C ZINC000994422174 826344996 /nfs/dbraw/zinc/34/49/96/826344996.db2.gz BQHNEQBGERQVQT-RYUDHWBXSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccn(C)n2)[C@@H]1C ZINC000994422174 826345000 /nfs/dbraw/zinc/34/50/00/826345000.db2.gz BQHNEQBGERQVQT-RYUDHWBXSA-N 1 2 296.802 1.755 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1sccc1OC ZINC001038950578 826348642 /nfs/dbraw/zinc/34/86/42/826348642.db2.gz WANVMYVTOFHUAV-SNVBAGLBSA-N 1 2 266.366 1.747 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1sccc1OC ZINC001038950578 826348648 /nfs/dbraw/zinc/34/86/48/826348648.db2.gz WANVMYVTOFHUAV-SNVBAGLBSA-N 1 2 266.366 1.747 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](CN2C[C@H](c3cccnc3)CC2=O)C1 ZINC000853525298 826368880 /nfs/dbraw/zinc/36/88/80/826368880.db2.gz UVTKHZKAKXKAAN-GOEBONIOSA-N 1 2 298.390 1.981 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](CN2C[C@H](c3cccnc3)CC2=O)C1 ZINC000853525298 826368887 /nfs/dbraw/zinc/36/88/87/826368887.db2.gz UVTKHZKAKXKAAN-GOEBONIOSA-N 1 2 298.390 1.981 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C)c(F)c2)C1 ZINC001035435483 826379111 /nfs/dbraw/zinc/37/91/11/826379111.db2.gz QEPGYEWNRBVMBB-CQSZACIVSA-N 1 2 292.354 1.751 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(C)c(F)c2)C1 ZINC001035435483 826379116 /nfs/dbraw/zinc/37/91/16/826379116.db2.gz QEPGYEWNRBVMBB-CQSZACIVSA-N 1 2 292.354 1.751 20 30 CDEDLO CCOc1ccc(O)c(/C=N/[C@H](C)C[NH+]2CCOCC2)c1 ZINC000193334662 826393100 /nfs/dbraw/zinc/39/31/00/826393100.db2.gz ZHHHLHUESACISY-VVBXCHJUSA-N 1 2 292.379 1.931 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000884157275 826412358 /nfs/dbraw/zinc/41/23/58/826412358.db2.gz WTBUOFJQTUBETD-DGAVXFQQSA-N 1 2 294.395 1.518 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC001038730003 826426286 /nfs/dbraw/zinc/42/62/86/826426286.db2.gz XAHFNWACGXLLNX-NSHDSACASA-N 1 2 296.292 1.931 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC001038730003 826426293 /nfs/dbraw/zinc/42/62/93/826426293.db2.gz XAHFNWACGXLLNX-NSHDSACASA-N 1 2 296.292 1.931 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCOC[C@@H](C)C1 ZINC000328675157 826438088 /nfs/dbraw/zinc/43/80/88/826438088.db2.gz KMDYZLXPFJOREG-GXFFZTMASA-N 1 2 294.399 1.982 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCOC[C@@H](C)C1 ZINC000328675157 826438106 /nfs/dbraw/zinc/43/81/06/826438106.db2.gz KMDYZLXPFJOREG-GXFFZTMASA-N 1 2 294.399 1.982 20 30 CDEDLO C#CCC(C)(C)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000854729447 826503010 /nfs/dbraw/zinc/50/30/10/826503010.db2.gz WYWJWUZPITVGRD-AWEZNQCLSA-N 1 2 278.396 1.359 20 30 CDEDLO C#CCC1(NC(=O)Cc2c[nH+]cn2C)CCCCC1 ZINC000886655711 826575029 /nfs/dbraw/zinc/57/50/29/826575029.db2.gz CBPKUJNUWGIBNS-UHFFFAOYSA-N 1 2 259.353 1.805 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCCO[C@@H]2C)C1 ZINC001031637975 826591038 /nfs/dbraw/zinc/59/10/38/826591038.db2.gz QLZIOCJPXKUUOB-YPMHNXCESA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cncnc2)C1 ZINC001046264908 826609783 /nfs/dbraw/zinc/60/97/83/826609783.db2.gz WDEAQINOGVVWOM-CYBMUJFWSA-N 1 2 280.759 1.423 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cncnc2)C1 ZINC001046264908 826609815 /nfs/dbraw/zinc/60/98/15/826609815.db2.gz WDEAQINOGVVWOM-CYBMUJFWSA-N 1 2 280.759 1.423 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC=CC2)C1 ZINC001010411978 826622424 /nfs/dbraw/zinc/62/24/24/826622424.db2.gz KYSUDTKMYUGYRX-LBPRGKRZSA-N 1 2 254.761 1.896 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC=CC2)C1 ZINC001010411978 826622428 /nfs/dbraw/zinc/62/24/28/826622428.db2.gz KYSUDTKMYUGYRX-LBPRGKRZSA-N 1 2 254.761 1.896 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCOC1 ZINC001027777120 826700205 /nfs/dbraw/zinc/70/02/05/826700205.db2.gz DJDDIUBOEGDGFS-STQMWFEESA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCOC1 ZINC001027777120 826700237 /nfs/dbraw/zinc/70/02/37/826700237.db2.gz DJDDIUBOEGDGFS-STQMWFEESA-N 1 2 286.803 1.746 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@@H](CC)O2)C1 ZINC001042825464 826761897 /nfs/dbraw/zinc/76/18/97/826761897.db2.gz AGSBZJKWXSDHQQ-KGLIPLIRSA-N 1 2 264.369 1.110 20 30 CDEDLO Cc1ccc(C#N)cc1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865049762 826792420 /nfs/dbraw/zinc/79/24/20/826792420.db2.gz OFPBUZHHNBGRDE-NSCUHMNNSA-N 1 2 285.347 1.694 20 30 CDEDLO Cn1nccc1C(=O)/C=C/c1c[nH+]c2ccccn12 ZINC000193056855 826804345 /nfs/dbraw/zinc/80/43/45/826804345.db2.gz SCNWJFUMQHKQDD-AATRIKPKSA-N 1 2 252.277 1.964 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(C)=O)C1 ZINC001046087530 826818335 /nfs/dbraw/zinc/81/83/35/826818335.db2.gz TWHGTBCJLGNVAM-JTQLQIEISA-N 1 2 261.163 1.496 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(C)=O)C1 ZINC001046087530 826818336 /nfs/dbraw/zinc/81/83/36/826818336.db2.gz TWHGTBCJLGNVAM-JTQLQIEISA-N 1 2 261.163 1.496 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(CC)n1 ZINC001032448837 826821039 /nfs/dbraw/zinc/82/10/39/826821039.db2.gz ZZCMEPWILOQYLV-GJZGRUSLSA-N 1 2 283.375 1.566 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(CC)n1 ZINC001032448837 826821041 /nfs/dbraw/zinc/82/10/41/826821041.db2.gz ZZCMEPWILOQYLV-GJZGRUSLSA-N 1 2 283.375 1.566 20 30 CDEDLO Cc1ccc(NCC[N@@H+]2CCO[C@H](C)C2)c(C#N)n1 ZINC000881891434 826824397 /nfs/dbraw/zinc/82/43/97/826824397.db2.gz KDOYPCAUAVKOKR-GFCCVEGCSA-N 1 2 260.341 1.394 20 30 CDEDLO Cc1ccc(NCC[N@H+]2CCO[C@H](C)C2)c(C#N)n1 ZINC000881891434 826824398 /nfs/dbraw/zinc/82/43/98/826824398.db2.gz KDOYPCAUAVKOKR-GFCCVEGCSA-N 1 2 260.341 1.394 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(OC)ccn2)C1 ZINC001043507216 826846144 /nfs/dbraw/zinc/84/61/44/826846144.db2.gz DLMBUVSUYOBPOL-UHFFFAOYSA-N 1 2 275.352 1.423 20 30 CDEDLO C=C(Br)CN1CC[NH+](C(C)(C)COC)CC1 ZINC000823461112 826855153 /nfs/dbraw/zinc/85/51/53/826855153.db2.gz DPLBDHQBUHNBMI-UHFFFAOYSA-N 1 2 291.233 1.938 20 30 CDEDLO Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1cc(C#N)ccc1O)C2 ZINC000810467562 826873621 /nfs/dbraw/zinc/87/36/21/826873621.db2.gz VAMADSLKKYLFFF-LBPRGKRZSA-N 1 2 296.330 1.970 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C(C)(C)C ZINC001032476338 826874628 /nfs/dbraw/zinc/87/46/28/826874628.db2.gz IJBBZHWEBQPMTP-IHRRRGAJSA-N 1 2 262.397 1.977 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C(C)(C)C ZINC001032476338 826874629 /nfs/dbraw/zinc/87/46/29/826874629.db2.gz IJBBZHWEBQPMTP-IHRRRGAJSA-N 1 2 262.397 1.977 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCO[C@@H]2C)C1 ZINC001042656233 826876578 /nfs/dbraw/zinc/87/65/78/826876578.db2.gz ZOAFLVYZSQOXTJ-OCCSQVGLSA-N 1 2 266.385 1.520 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001009411391 826886171 /nfs/dbraw/zinc/88/61/71/826886171.db2.gz SQCIQSXMQMPNRB-LBPRGKRZSA-N 1 2 295.770 1.734 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001009411391 826886172 /nfs/dbraw/zinc/88/61/72/826886172.db2.gz SQCIQSXMQMPNRB-LBPRGKRZSA-N 1 2 295.770 1.734 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn(CC(C)C)c2C)C1 ZINC001031321312 826889665 /nfs/dbraw/zinc/88/96/65/826889665.db2.gz VAESBEHNRLNPQG-UHFFFAOYSA-N 1 2 290.411 1.838 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cccc(C)c1 ZINC000884044861 826895521 /nfs/dbraw/zinc/89/55/21/826895521.db2.gz YKWQEVXSUTXTJE-LBPRGKRZSA-N 1 2 262.309 1.380 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCCc3cccnc32)C1 ZINC001030826589 826934925 /nfs/dbraw/zinc/93/49/25/826934925.db2.gz CUZYNXXMUVXITG-OAHLLOKOSA-N 1 2 285.391 1.878 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882871233 826953781 /nfs/dbraw/zinc/95/37/81/826953781.db2.gz BSFUVTGJVMUEAS-GOEBONIOSA-N 1 2 297.358 1.779 20 30 CDEDLO C[C@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038602626 826990290 /nfs/dbraw/zinc/99/02/90/826990290.db2.gz MRLOLOKJRXJDMX-WDMOLILDSA-N 1 2 289.404 1.966 20 30 CDEDLO C[C@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038602626 826990319 /nfs/dbraw/zinc/99/03/19/826990319.db2.gz MRLOLOKJRXJDMX-WDMOLILDSA-N 1 2 289.404 1.966 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C)nc1C ZINC001032689014 827036642 /nfs/dbraw/zinc/03/66/42/827036642.db2.gz UANBLBAPHBSPMP-KBPBESRZSA-N 1 2 284.363 1.015 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C)nc1C ZINC001032689014 827036650 /nfs/dbraw/zinc/03/66/50/827036650.db2.gz UANBLBAPHBSPMP-KBPBESRZSA-N 1 2 284.363 1.015 20 30 CDEDLO COc1ccc([C@H]2CN(C(=O)CC#N)CC[NH2+]2)cc1 ZINC000870142630 827057030 /nfs/dbraw/zinc/05/70/30/827057030.db2.gz LSSGEMWHLYEBOB-CYBMUJFWSA-N 1 2 259.309 1.082 20 30 CDEDLO CO[C@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CCO1 ZINC000878966807 827057428 /nfs/dbraw/zinc/05/74/28/827057428.db2.gz AGRGYNHGNJEFQF-OAHLLOKOSA-N 1 2 276.336 1.632 20 30 CDEDLO CO[C@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CCO1 ZINC000878966807 827057444 /nfs/dbraw/zinc/05/74/44/827057444.db2.gz AGRGYNHGNJEFQF-OAHLLOKOSA-N 1 2 276.336 1.632 20 30 CDEDLO Cn1c(N)nc(Cl)c1C=[NH+]Nc1ccnc(F)c1 ZINC000814901952 827086907 /nfs/dbraw/zinc/08/69/07/827086907.db2.gz CIYXEKVUNSSMAE-UHFFFAOYSA-N 1 2 268.683 1.636 20 30 CDEDLO Cn1c(C#N)ccc1C(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC000842884464 827095003 /nfs/dbraw/zinc/09/50/03/827095003.db2.gz QFGQPYJQSJMKEW-UHFFFAOYSA-N 1 2 296.330 1.585 20 30 CDEDLO C=CCCCCn1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000883991568 827145302 /nfs/dbraw/zinc/14/53/02/827145302.db2.gz IOIQATBCHMINGP-UHFFFAOYSA-N 1 2 264.373 1.591 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2snnc2C)C1 ZINC001006703135 827201844 /nfs/dbraw/zinc/20/18/44/827201844.db2.gz KJBVWUBZOGRBNS-LLVKDONJSA-N 1 2 278.381 1.064 20 30 CDEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2snnc2C)C1 ZINC001006703135 827201851 /nfs/dbraw/zinc/20/18/51/827201851.db2.gz KJBVWUBZOGRBNS-LLVKDONJSA-N 1 2 278.381 1.064 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(CC)o1 ZINC001050985099 827281961 /nfs/dbraw/zinc/28/19/61/827281961.db2.gz FGYPHFIECKZZTC-CYBMUJFWSA-N 1 2 292.379 1.849 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(CC)o1 ZINC001050985099 827281972 /nfs/dbraw/zinc/28/19/72/827281972.db2.gz FGYPHFIECKZZTC-CYBMUJFWSA-N 1 2 292.379 1.849 20 30 CDEDLO C[C@@H](Nc1nc(Cl)c(C#N)s1)[C@@H]1C[N@H+](C)CCO1 ZINC000804561805 827314170 /nfs/dbraw/zinc/31/41/70/827314170.db2.gz QRHCXAMVBNGISZ-SFYZADRCSA-N 1 2 286.788 1.799 20 30 CDEDLO C[C@@H](Nc1nc(Cl)c(C#N)s1)[C@@H]1C[N@@H+](C)CCO1 ZINC000804561805 827314184 /nfs/dbraw/zinc/31/41/84/827314184.db2.gz QRHCXAMVBNGISZ-SFYZADRCSA-N 1 2 286.788 1.799 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001032810294 827322518 /nfs/dbraw/zinc/32/25/18/827322518.db2.gz ZTKQEVRHWBMWLC-ISFQMUQJSA-N 1 2 270.376 1.197 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001032810294 827322529 /nfs/dbraw/zinc/32/25/29/827322529.db2.gz ZTKQEVRHWBMWLC-ISFQMUQJSA-N 1 2 270.376 1.197 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c(C)noc1C ZINC001032774666 827366750 /nfs/dbraw/zinc/36/67/50/827366750.db2.gz NNKIUYBDNBDOKU-KBPBESRZSA-N 1 2 287.363 1.142 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c(C)noc1C ZINC001032774666 827366765 /nfs/dbraw/zinc/36/67/65/827366765.db2.gz NNKIUYBDNBDOKU-KBPBESRZSA-N 1 2 287.363 1.142 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc2nc[nH]c21 ZINC001028222962 827386797 /nfs/dbraw/zinc/38/67/97/827386797.db2.gz WKJBKELIJQMGIU-ZDUSSCGKSA-N 1 2 296.374 1.780 20 30 CDEDLO CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc2nc[nH]c21 ZINC001028222962 827386807 /nfs/dbraw/zinc/38/68/07/827386807.db2.gz WKJBKELIJQMGIU-ZDUSSCGKSA-N 1 2 296.374 1.780 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C2CC2)nc1C ZINC001038720932 827398987 /nfs/dbraw/zinc/39/89/87/827398987.db2.gz OHFFNAZKYMUIED-CQSZACIVSA-N 1 2 283.375 1.705 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C2CC2)nc1C ZINC001038720932 827398998 /nfs/dbraw/zinc/39/89/98/827398998.db2.gz OHFFNAZKYMUIED-CQSZACIVSA-N 1 2 283.375 1.705 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1occc1C ZINC001017923093 827479294 /nfs/dbraw/zinc/47/92/94/827479294.db2.gz UFNMSSGAONJLFZ-OKILXGFUSA-N 1 2 272.348 1.439 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1occc1C ZINC001017923093 827479297 /nfs/dbraw/zinc/47/92/97/827479297.db2.gz UFNMSSGAONJLFZ-OKILXGFUSA-N 1 2 272.348 1.439 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001035498259 827499917 /nfs/dbraw/zinc/49/99/17/827499917.db2.gz ZJLLGKQCLCXXNS-UONOGXRCSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001035498259 827499951 /nfs/dbraw/zinc/49/99/51/827499951.db2.gz ZJLLGKQCLCXXNS-UONOGXRCSA-N 1 2 280.412 1.816 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cn(C)cn1 ZINC001024394393 827600388 /nfs/dbraw/zinc/60/03/88/827600388.db2.gz HPUFIZXGGRMXMU-GFCCVEGCSA-N 1 2 296.802 1.757 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(C)cn1 ZINC001024394393 827600419 /nfs/dbraw/zinc/60/04/19/827600419.db2.gz HPUFIZXGGRMXMU-GFCCVEGCSA-N 1 2 296.802 1.757 20 30 CDEDLO N#CCc1cccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)n1 ZINC000882472892 827679489 /nfs/dbraw/zinc/67/94/89/827679489.db2.gz WEEXDCGMOIIGFO-LLVKDONJSA-N 1 2 281.319 1.545 20 30 CDEDLO CSc1ccc(C[NH2+]Cc2cnn(C)n2)cc1C#N ZINC000886277508 827691030 /nfs/dbraw/zinc/69/10/30/827691030.db2.gz SVCLFLSKEWXBJE-UHFFFAOYSA-N 1 2 273.365 1.698 20 30 CDEDLO C#CC[C@H]([NH2+]C1CCC(C(F)F)CC1)C(=O)OC ZINC000839168354 827754998 /nfs/dbraw/zinc/75/49/98/827754998.db2.gz LJOKBZWUIYRRPB-ILDUYXDCSA-N 1 2 259.296 1.965 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)C2CC2)C1 ZINC001009831264 827816636 /nfs/dbraw/zinc/81/66/36/827816636.db2.gz LBBLKMTVSWWVJR-OAHLLOKOSA-N 1 2 269.348 1.659 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)C2CC2)C1 ZINC001009831264 827816639 /nfs/dbraw/zinc/81/66/39/827816639.db2.gz LBBLKMTVSWWVJR-OAHLLOKOSA-N 1 2 269.348 1.659 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)CCCCCC#N ZINC000928647795 827823987 /nfs/dbraw/zinc/82/39/87/827823987.db2.gz MMENJKVNLWDXSE-CQSZACIVSA-N 1 2 281.400 1.687 20 30 CDEDLO NC(=NOCC1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181846105 827825153 /nfs/dbraw/zinc/82/51/53/827825153.db2.gz ZPODDLOEKWQISF-HNNXBMFYSA-N 1 2 289.379 1.586 20 30 CDEDLO NC(=NOCC1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181846105 827825156 /nfs/dbraw/zinc/82/51/56/827825156.db2.gz ZPODDLOEKWQISF-HNNXBMFYSA-N 1 2 289.379 1.586 20 30 CDEDLO C#C[C@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)[C@H]1CCCO1 ZINC000775791997 827828045 /nfs/dbraw/zinc/82/80/45/827828045.db2.gz PKUKGUBPMYSPQH-DZGCQCFKSA-N 1 2 297.358 1.204 20 30 CDEDLO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2=NC(=O)N(C)C2)[C@H]1C ZINC000986817880 827848984 /nfs/dbraw/zinc/84/89/84/827848984.db2.gz XROKHBGZBAXRLL-UWVGGRQHSA-N 1 2 298.774 1.071 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CC23CC(OCC)C3)C1 ZINC001043856321 827862260 /nfs/dbraw/zinc/86/22/60/827862260.db2.gz LHLNSJOQAHZIPH-ISXOHVOVSA-N 1 2 292.423 1.910 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn(C3CCC3)c2)C1 ZINC001042720971 827867559 /nfs/dbraw/zinc/86/75/59/827867559.db2.gz WHZJLAXRZJFKOX-UHFFFAOYSA-N 1 2 286.379 1.388 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2[nH]nc3c2CCC3)CC[C@@H]1C ZINC001071639912 827867935 /nfs/dbraw/zinc/86/79/35/827867935.db2.gz XMBKASAAGHKPSX-RYUDHWBXSA-N 1 2 288.395 1.667 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2[nH]nc3c2CCC3)CC[C@@H]1C ZINC001071639912 827867936 /nfs/dbraw/zinc/86/79/36/827867936.db2.gz XMBKASAAGHKPSX-RYUDHWBXSA-N 1 2 288.395 1.667 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(C)ncn2)C1 ZINC001046234723 827869389 /nfs/dbraw/zinc/86/93/89/827869389.db2.gz CDUKHEHOMYRJGV-AWEZNQCLSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(C)ncn2)C1 ZINC001046234723 827869391 /nfs/dbraw/zinc/86/93/91/827869391.db2.gz CDUKHEHOMYRJGV-AWEZNQCLSA-N 1 2 294.786 1.732 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(CF)cc1 ZINC001039063081 827877563 /nfs/dbraw/zinc/87/75/63/827877563.db2.gz HMKOGCNWIDZFOX-HNNXBMFYSA-N 1 2 274.339 1.984 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(CF)cc1 ZINC001039063081 827877566 /nfs/dbraw/zinc/87/75/66/827877566.db2.gz HMKOGCNWIDZFOX-HNNXBMFYSA-N 1 2 274.339 1.984 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC2(C1)OCCO2 ZINC000160714089 827900391 /nfs/dbraw/zinc/90/03/91/827900391.db2.gz VFQHODAULAXVRC-CYBMUJFWSA-N 1 2 282.384 1.248 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC2(C1)OCCO2 ZINC000160714089 827900399 /nfs/dbraw/zinc/90/03/99/827900399.db2.gz VFQHODAULAXVRC-CYBMUJFWSA-N 1 2 282.384 1.248 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@@H](COCC)C2)cc1 ZINC000862502539 827905840 /nfs/dbraw/zinc/90/58/40/827905840.db2.gz NKOZIOYSWHUNEW-QGZVFWFLSA-N 1 2 289.375 1.936 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCO[C@@H](COCC)C2)cc1 ZINC000862502539 827905849 /nfs/dbraw/zinc/90/58/49/827905849.db2.gz NKOZIOYSWHUNEW-QGZVFWFLSA-N 1 2 289.375 1.936 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(F)c[nH]2)C1 ZINC001043377743 828026971 /nfs/dbraw/zinc/02/69/71/828026971.db2.gz WVCZQUYAVQIHBL-UHFFFAOYSA-N 1 2 251.305 1.486 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2[nH]ccc2C2CC2)C1 ZINC001035400587 828037408 /nfs/dbraw/zinc/03/74/08/828037408.db2.gz ZJNRMVZVDBSTEC-ZDUSSCGKSA-N 1 2 289.379 1.509 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2[nH]ccc2C2CC2)C1 ZINC001035400587 828037424 /nfs/dbraw/zinc/03/74/24/828037424.db2.gz ZJNRMVZVDBSTEC-ZDUSSCGKSA-N 1 2 289.379 1.509 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)C1CC1)C[C@@H](C)O2 ZINC001071116290 828089338 /nfs/dbraw/zinc/08/93/38/828089338.db2.gz MDLJOLPNBGMWGW-DOMZBBRYSA-N 1 2 298.814 1.841 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C1CC1)C[C@@H](C)O2 ZINC001071116290 828089346 /nfs/dbraw/zinc/08/93/46/828089346.db2.gz MDLJOLPNBGMWGW-DOMZBBRYSA-N 1 2 298.814 1.841 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2CC(OCC)C2)C1 ZINC001042685831 828096868 /nfs/dbraw/zinc/09/68/68/828096868.db2.gz YLOOZFDMRJPXMQ-UHFFFAOYSA-N 1 2 266.385 1.520 20 30 CDEDLO COC(=O)[C@H]([NH2+]CCC(C)(C)C#N)C1CCOCC1 ZINC000880339115 828120173 /nfs/dbraw/zinc/12/01/73/828120173.db2.gz ISUSWXWPCRDMMZ-GFCCVEGCSA-N 1 2 268.357 1.484 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCCO[C@H]2C(=C)C)C1 ZINC001031077128 828201429 /nfs/dbraw/zinc/20/14/29/828201429.db2.gz HKJFXVDOCBLWJL-GJZGRUSLSA-N 1 2 278.396 1.734 20 30 CDEDLO N#CCC1(C[N@H+]2Cc3ccccc3C[C@H]2C(N)=O)CC1 ZINC000877943553 828262041 /nfs/dbraw/zinc/26/20/41/828262041.db2.gz KKQJRPUHXPDXBX-AWEZNQCLSA-N 1 2 269.348 1.592 20 30 CDEDLO N#CCC1(C[N@@H+]2Cc3ccccc3C[C@H]2C(N)=O)CC1 ZINC000877943553 828262063 /nfs/dbraw/zinc/26/20/63/828262063.db2.gz KKQJRPUHXPDXBX-AWEZNQCLSA-N 1 2 269.348 1.592 20 30 CDEDLO C#CCC1([NH2+]CC(=O)OC(C)(C)C)CCOCC1 ZINC000887124717 828290691 /nfs/dbraw/zinc/29/06/91/828290691.db2.gz PZPYUSYRCXHDEP-UHFFFAOYSA-N 1 2 253.342 1.490 20 30 CDEDLO C=CCN1CCN(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)C1=O ZINC000840073923 828297296 /nfs/dbraw/zinc/29/72/96/828297296.db2.gz MUMGWAXQCZRIFJ-UONOGXRCSA-N 1 2 293.411 1.757 20 30 CDEDLO C=CCN1CCN(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)C1=O ZINC000840073923 828297318 /nfs/dbraw/zinc/29/73/18/828297318.db2.gz MUMGWAXQCZRIFJ-UONOGXRCSA-N 1 2 293.411 1.757 20 30 CDEDLO C=CCN1CCN(C[N@@H+](C)Cc2ccc(C#N)cc2)C1=O ZINC000839958725 828322268 /nfs/dbraw/zinc/32/22/68/828322268.db2.gz IEFRDQVSYCMLES-UHFFFAOYSA-N 1 2 284.363 1.871 20 30 CDEDLO C=CCN1CCN(C[N@H+](C)Cc2ccc(C#N)cc2)C1=O ZINC000839958725 828322276 /nfs/dbraw/zinc/32/22/76/828322276.db2.gz IEFRDQVSYCMLES-UHFFFAOYSA-N 1 2 284.363 1.871 20 30 CDEDLO COCC1C[NH+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237609307 1167396446 /nfs/dbraw/zinc/39/64/46/1167396446.db2.gz PNWUSNFMHCONEF-UHFFFAOYSA-N 1 2 256.309 1.284 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001095114546 912450158 /nfs/dbraw/zinc/45/01/58/912450158.db2.gz CTVZFBWYOLFRRD-AWEZNQCLSA-N 1 2 286.379 1.626 20 30 CDEDLO N#CC1([NH2+][C@@H]2CCC[C@@H](n3ncnn3)C2)CCCC1 ZINC001173741605 912772396 /nfs/dbraw/zinc/77/23/96/912772396.db2.gz YFOOSLJOCVLTMK-VXGBXAGGSA-N 1 2 260.345 1.583 20 30 CDEDLO C#Cc1cnc(Nc2c[nH+]ccc2OC)c(C#C)n1 ZINC001176119444 913967700 /nfs/dbraw/zinc/96/77/00/913967700.db2.gz ZWNZTMFCFOGCSX-UHFFFAOYSA-N 1 2 250.261 1.586 20 30 CDEDLO CSc1nc(C)c(C#N)c(NCc2cc[nH+]c(N)c2)n1 ZINC001167614612 897036703 /nfs/dbraw/zinc/03/67/03/897036703.db2.gz UBOYXMZMVMSQGP-UHFFFAOYSA-N 1 2 286.364 1.390 20 30 CDEDLO CCN(CCNc1cc[nH+]c(C)n1)C(=O)CSCC#N ZINC001106694067 914136197 /nfs/dbraw/zinc/13/61/97/914136197.db2.gz RCYOBLLHBLRBAX-UHFFFAOYSA-N 1 2 293.396 1.302 20 30 CDEDLO C[C@H](CNC(=O)CCn1cc[nH+]c1)Nc1ncccc1C#N ZINC001098168331 898671608 /nfs/dbraw/zinc/67/16/08/898671608.db2.gz ZWGWZRKXZNEGDY-GFCCVEGCSA-N 1 2 298.350 1.157 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(Cl)cc2C)[C@@H](O)C1 ZINC001083748257 914484394 /nfs/dbraw/zinc/48/43/94/914484394.db2.gz SFSUOJDSMQZLAZ-KGLIPLIRSA-N 1 2 292.766 1.057 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)cc2C)[C@@H](O)C1 ZINC001083748257 914484396 /nfs/dbraw/zinc/48/43/96/914484396.db2.gz SFSUOJDSMQZLAZ-KGLIPLIRSA-N 1 2 292.766 1.057 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccc[nH]1 ZINC001268229938 901613990 /nfs/dbraw/zinc/61/39/90/901613990.db2.gz DFKXTCNLKBVJDD-UHFFFAOYSA-N 1 2 255.749 1.771 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccc[nH]1 ZINC001268229938 901613996 /nfs/dbraw/zinc/61/39/96/901613996.db2.gz DFKXTCNLKBVJDD-UHFFFAOYSA-N 1 2 255.749 1.771 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2cncc(F)c2)CC1 ZINC001177384350 914629884 /nfs/dbraw/zinc/62/98/84/914629884.db2.gz WKAXVCRABGTFNW-UHFFFAOYSA-N 1 2 263.316 1.093 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(C)nn2)[C@H]1CC ZINC001087560993 905675035 /nfs/dbraw/zinc/67/50/35/905675035.db2.gz XUIFFEVGYCZJPK-CMPLNLGQSA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)nn2)[C@H]1CC ZINC001087560993 905675039 /nfs/dbraw/zinc/67/50/39/905675039.db2.gz XUIFFEVGYCZJPK-CMPLNLGQSA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nn(C)cc2C)[C@H]1C ZINC001088562513 907926673 /nfs/dbraw/zinc/92/66/73/907926673.db2.gz ZTUFZWWTHKRJNG-NEPJUHHUSA-N 1 2 296.802 1.674 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nn(C)cc2C)[C@H]1C ZINC001088562513 907926695 /nfs/dbraw/zinc/92/66/95/907926695.db2.gz ZTUFZWWTHKRJNG-NEPJUHHUSA-N 1 2 296.802 1.674 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@H](C)COC ZINC001482639813 908098372 /nfs/dbraw/zinc/09/83/72/908098372.db2.gz VZINKMVXGWASST-NSHDSACASA-N 1 2 276.808 1.802 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@H](C)COC ZINC001482639813 908098386 /nfs/dbraw/zinc/09/83/86/908098386.db2.gz VZINKMVXGWASST-NSHDSACASA-N 1 2 276.808 1.802 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171475974 910796901 /nfs/dbraw/zinc/79/69/01/910796901.db2.gz IKGMDHKEKMAMGZ-CHWSQXEVSA-N 1 2 277.318 1.619 20 30 CDEDLO C#CCNC(=O)[C@H]1CC12CCN(c1cc[nH+]c(OC)c1)CC2 ZINC001273585278 921613231 /nfs/dbraw/zinc/61/32/31/921613231.db2.gz OJHSJSAIHPUSDZ-CQSZACIVSA-N 1 2 299.374 1.446 20 30 CDEDLO C[N@H+](CCC#N)[C@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001171701503 910889666 /nfs/dbraw/zinc/88/96/66/910889666.db2.gz LQESVDYBEJUSPH-JTQLQIEISA-N 1 2 267.329 1.368 20 30 CDEDLO C[N@@H+](CCC#N)[C@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001171701503 910889670 /nfs/dbraw/zinc/88/96/70/910889670.db2.gz LQESVDYBEJUSPH-JTQLQIEISA-N 1 2 267.329 1.368 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(OC)c(OC)c2F)CC1 ZINC001248756623 910918759 /nfs/dbraw/zinc/91/87/59/910918759.db2.gz PSYJUXAAPWMBJV-UHFFFAOYSA-N 1 2 292.354 1.594 20 30 CDEDLO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC(F)(F)CO ZINC001172301131 911543674 /nfs/dbraw/zinc/54/36/74/911543674.db2.gz KVDBCMVFPVVTEA-JTQLQIEISA-N 1 2 254.280 1.706 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCC[C@@H](F)C2)C1 ZINC001030299293 911664020 /nfs/dbraw/zinc/66/40/20/911664020.db2.gz VCCSFXVVOKZVGV-NWDGAFQWSA-N 1 2 252.333 1.338 20 30 CDEDLO C=C[C@@H]1C[C@]1([NH2+]C1CCN(C(=O)OC)CC1)C(=O)OCC ZINC001172733676 911871231 /nfs/dbraw/zinc/87/12/31/911871231.db2.gz ZGVAELRFHDRSIW-IAQYHMDHSA-N 1 2 296.367 1.315 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]c(C)nc2C)[C@H]1C ZINC001088865931 912052447 /nfs/dbraw/zinc/05/24/47/912052447.db2.gz QIASZWKIIMXENY-PWSUYJOCSA-N 1 2 296.802 1.972 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]c(C)nc2C)[C@H]1C ZINC001088865931 912052463 /nfs/dbraw/zinc/05/24/63/912052463.db2.gz QIASZWKIIMXENY-PWSUYJOCSA-N 1 2 296.802 1.972 20 30 CDEDLO CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C1 ZINC001212255489 914918347 /nfs/dbraw/zinc/91/83/47/914918347.db2.gz MGEVJSRLRNTRRO-MGPQQGTHSA-N 1 2 298.402 1.599 20 30 CDEDLO CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C1 ZINC001212255489 914918360 /nfs/dbraw/zinc/91/83/60/914918360.db2.gz MGEVJSRLRNTRRO-MGPQQGTHSA-N 1 2 298.402 1.599 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([NH2+]Cc2csnn2)[C@@H]1C ZINC001178323975 915370786 /nfs/dbraw/zinc/37/07/86/915370786.db2.gz COSLBFIEZNRIDZ-JQWIXIFHSA-N 1 2 280.397 1.583 20 30 CDEDLO C=CCCC(=O)NCC[NH2+][C@@H](C)c1nc(C(C)C)no1 ZINC001124651677 936328996 /nfs/dbraw/zinc/32/89/96/936328996.db2.gz VZWMTUJYUOMDAG-NSHDSACASA-N 1 2 280.372 1.926 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1CCC)CO2 ZINC001053918779 936423065 /nfs/dbraw/zinc/42/30/65/936423065.db2.gz VOBIFFWJBPYIPE-QLFBSQMISA-N 1 2 292.423 1.958 20 30 CDEDLO COCCn1c[nH+]cc1CNC(=O)Cc1ccccc1C#N ZINC001181804548 917388023 /nfs/dbraw/zinc/38/80/23/917388023.db2.gz RNGGQQLOEZPPCJ-UHFFFAOYSA-N 1 2 298.346 1.260 20 30 CDEDLO CC(C)(C)OC(=O)[C@H]([NH3+])C1CN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC001254653819 936435869 /nfs/dbraw/zinc/43/58/69/936435869.db2.gz QEHBWAWXBHKXMS-RAIGVLPGSA-N 1 2 279.384 1.279 20 30 CDEDLO O=C(C#Cc1ccccc1)Nc1cc[nH+]c2c1CCC2 ZINC001142857083 918466179 /nfs/dbraw/zinc/46/61/79/918466179.db2.gz BOBMYTBLJRRQMD-UHFFFAOYSA-N 1 2 262.312 1.982 20 30 CDEDLO Cc1nc(NC[C@@H](C)NC(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001107720237 918683403 /nfs/dbraw/zinc/68/34/03/918683403.db2.gz SKGMZVMWVIDFGS-LLVKDONJSA-N 1 2 274.368 1.751 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001107843076 918860339 /nfs/dbraw/zinc/86/03/39/918860339.db2.gz DKMZAUANKCHJAW-HWMZRRJGSA-N 1 2 292.423 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001107843076 918860348 /nfs/dbraw/zinc/86/03/48/918860348.db2.gz DKMZAUANKCHJAW-HWMZRRJGSA-N 1 2 292.423 1.816 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC2(C)C)C1 ZINC001107874532 918955513 /nfs/dbraw/zinc/95/55/13/918955513.db2.gz PBMUTPCIOGJCOV-DOMZBBRYSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC2(C)C)C1 ZINC001107874532 918955523 /nfs/dbraw/zinc/95/55/23/918955523.db2.gz PBMUTPCIOGJCOV-DOMZBBRYSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](OCC)C2CC2)C1 ZINC001107947596 919117799 /nfs/dbraw/zinc/11/77/99/919117799.db2.gz NFQABKNOFMLTHW-ZBFHGGJFSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](OCC)C2CC2)C1 ZINC001107947596 919117807 /nfs/dbraw/zinc/11/78/07/919117807.db2.gz NFQABKNOFMLTHW-ZBFHGGJFSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2ccncc2F)C1=O ZINC001272767144 919203925 /nfs/dbraw/zinc/20/39/25/919203925.db2.gz YJUYTIYRENOOTQ-MRXNPFEDSA-N 1 2 289.354 1.974 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2ccncc2F)C1=O ZINC001272767144 919203939 /nfs/dbraw/zinc/20/39/39/919203939.db2.gz YJUYTIYRENOOTQ-MRXNPFEDSA-N 1 2 289.354 1.974 20 30 CDEDLO N#Cc1cnoc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212352037 919240731 /nfs/dbraw/zinc/24/07/31/919240731.db2.gz FHFJIANEISGEJV-UHFFFAOYSA-N 1 2 271.280 1.521 20 30 CDEDLO Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001139096008 936595731 /nfs/dbraw/zinc/59/57/31/936595731.db2.gz OJJLYYSXFZNHAM-LBPRGKRZSA-N 1 2 263.366 1.801 20 30 CDEDLO Cc1n[nH]c(C)c1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001139096008 936595732 /nfs/dbraw/zinc/59/57/32/936595732.db2.gz OJJLYYSXFZNHAM-LBPRGKRZSA-N 1 2 263.366 1.801 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC001078061420 920088980 /nfs/dbraw/zinc/08/89/80/920088980.db2.gz SRRPZGPNFVQVPP-IAGOWNOFSA-N 1 2 294.354 1.248 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC001078061420 920088986 /nfs/dbraw/zinc/08/89/86/920088986.db2.gz SRRPZGPNFVQVPP-IAGOWNOFSA-N 1 2 294.354 1.248 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nocc3C)C[C@H]21 ZINC001187240623 920422837 /nfs/dbraw/zinc/42/28/37/920422837.db2.gz UTWXNPULTPDJKX-DZGCQCFKSA-N 1 2 289.379 1.982 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](Cc3nocc3C)C[C@H]21 ZINC001187240623 920422843 /nfs/dbraw/zinc/42/28/43/920422843.db2.gz UTWXNPULTPDJKX-DZGCQCFKSA-N 1 2 289.379 1.982 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccncn2)C1 ZINC001140349631 936706009 /nfs/dbraw/zinc/70/60/09/936706009.db2.gz FNBKALWPIOCCPW-CYBMUJFWSA-N 1 2 276.340 1.353 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccncn2)C1 ZINC001140349631 936706010 /nfs/dbraw/zinc/70/60/10/936706010.db2.gz FNBKALWPIOCCPW-CYBMUJFWSA-N 1 2 276.340 1.353 20 30 CDEDLO C[C@@H](C#N)N(C)C(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190098384 921822769 /nfs/dbraw/zinc/82/27/69/921822769.db2.gz VFYKUCQWEKDVKA-NSHDSACASA-N 1 2 254.293 1.856 20 30 CDEDLO N#CCC[N@@H+](CC1C(=O)N=CNC1=O)C1CCCC1 ZINC001140475079 936714009 /nfs/dbraw/zinc/71/40/09/936714009.db2.gz CFRQGJRTFUVOKZ-UHFFFAOYSA-N 1 2 262.313 1.546 20 30 CDEDLO N#CCC[N@H+](CC1C(=O)N=CNC1=O)C1CCCC1 ZINC001140475079 936714010 /nfs/dbraw/zinc/71/40/10/936714010.db2.gz CFRQGJRTFUVOKZ-UHFFFAOYSA-N 1 2 262.313 1.546 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001108086334 921985597 /nfs/dbraw/zinc/98/55/97/921985597.db2.gz LRKUBKPMOMFIEO-YCPHGPKFSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001108086334 921985609 /nfs/dbraw/zinc/98/56/09/921985609.db2.gz LRKUBKPMOMFIEO-YCPHGPKFSA-N 1 2 296.411 1.195 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)cn1 ZINC001140540094 936721839 /nfs/dbraw/zinc/72/18/39/936721839.db2.gz IZTMPCYTOOUFQX-UHFFFAOYSA-N 1 2 285.269 1.842 20 30 CDEDLO N#Cc1ccc(C(=O)Nc2cc[nH+]c3c2CCC3)nc1 ZINC001190581609 922086123 /nfs/dbraw/zinc/08/61/23/922086123.db2.gz OIBJARZUNMXPQX-UHFFFAOYSA-N 1 2 264.288 1.511 20 30 CDEDLO N#Cc1cc(C(=O)NCCOc2cc[nH+]cc2)ccn1 ZINC001191559649 922655309 /nfs/dbraw/zinc/65/53/09/922655309.db2.gz QEUHDFVOGVVUQN-UHFFFAOYSA-N 1 2 268.276 1.157 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2coc(C)c2)[C@H](O)C1 ZINC001090226547 922708983 /nfs/dbraw/zinc/70/89/83/922708983.db2.gz WMXCQKXINVVVET-QWHCGFSZSA-N 1 2 298.770 1.506 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2coc(C)c2)[C@H](O)C1 ZINC001090226547 922708995 /nfs/dbraw/zinc/70/89/95/922708995.db2.gz WMXCQKXINVVVET-QWHCGFSZSA-N 1 2 298.770 1.506 20 30 CDEDLO C[C@@H](CCNC(=O)Cn1cc[nH+]c1)Nc1ncccc1C#N ZINC001099262364 936784320 /nfs/dbraw/zinc/78/43/20/936784320.db2.gz SRITWFCLCJAPNI-LBPRGKRZSA-N 1 2 298.350 1.157 20 30 CDEDLO C#CCO[C@@H](C)C(=O)NCC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001099515847 936790321 /nfs/dbraw/zinc/79/03/21/936790321.db2.gz KUURUNYXOCDBMV-NEPJUHHUSA-N 1 2 290.367 1.130 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCC2CC2)[C@@H](O)C1 ZINC001099749173 936805729 /nfs/dbraw/zinc/80/57/29/936805729.db2.gz HBIZOPUXTYYJNC-OLZOCXBDSA-N 1 2 286.803 1.481 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCC2CC2)[C@@H](O)C1 ZINC001099749173 936805732 /nfs/dbraw/zinc/80/57/32/936805732.db2.gz HBIZOPUXTYYJNC-OLZOCXBDSA-N 1 2 286.803 1.481 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC2(C)CC2)[C@H](O)C1 ZINC001099928870 936821057 /nfs/dbraw/zinc/82/10/57/936821057.db2.gz PVZIPXJSJBDRQN-NWDGAFQWSA-N 1 2 286.803 1.481 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2(C)CC2)[C@H](O)C1 ZINC001099928870 936821058 /nfs/dbraw/zinc/82/10/58/936821058.db2.gz PVZIPXJSJBDRQN-NWDGAFQWSA-N 1 2 286.803 1.481 20 30 CDEDLO C[C@@]1(CO)CC[N@H+](Cc2ccc(F)cc2C#N)C[C@H]1O ZINC001141164288 936823628 /nfs/dbraw/zinc/82/36/28/936823628.db2.gz VORUGVHXZZIZDA-CABCVRRESA-N 1 2 278.327 1.263 20 30 CDEDLO C[C@@]1(CO)CC[N@@H+](Cc2ccc(F)cc2C#N)C[C@H]1O ZINC001141164288 936823631 /nfs/dbraw/zinc/82/36/31/936823631.db2.gz VORUGVHXZZIZDA-CABCVRRESA-N 1 2 278.327 1.263 20 30 CDEDLO CC#CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC001193949200 924008417 /nfs/dbraw/zinc/00/84/17/924008417.db2.gz DSHLILLTUQUJPZ-ZDUSSCGKSA-N 1 2 297.362 1.128 20 30 CDEDLO CC#CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC001193949200 924008424 /nfs/dbraw/zinc/00/84/24/924008424.db2.gz DSHLILLTUQUJPZ-ZDUSSCGKSA-N 1 2 297.362 1.128 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2CCC(F)CC2)C1 ZINC001108189436 924089610 /nfs/dbraw/zinc/08/96/10/924089610.db2.gz BQBXLFWGYMDYMH-ZBCRRDGASA-N 1 2 298.402 1.908 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2CCC(F)CC2)C1 ZINC001108189436 924089617 /nfs/dbraw/zinc/08/96/17/924089617.db2.gz BQBXLFWGYMDYMH-ZBCRRDGASA-N 1 2 298.402 1.908 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)C)C1 ZINC001079433024 924313967 /nfs/dbraw/zinc/31/39/67/924313967.db2.gz FVSQWOBMNGMEPF-MWLCHTKSSA-N 1 2 289.217 1.988 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)C)C1 ZINC001079433024 924313975 /nfs/dbraw/zinc/31/39/75/924313975.db2.gz FVSQWOBMNGMEPF-MWLCHTKSSA-N 1 2 289.217 1.988 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H]1O ZINC001195740025 924719767 /nfs/dbraw/zinc/71/97/67/924719767.db2.gz XTUBEJDURNSGCB-CHWSQXEVSA-N 1 2 293.367 1.001 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H]1O ZINC001195740025 924719769 /nfs/dbraw/zinc/71/97/69/924719769.db2.gz XTUBEJDURNSGCB-CHWSQXEVSA-N 1 2 293.367 1.001 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cnc(C4CC4)o3)[C@@H]2C1 ZINC001084415170 925246110 /nfs/dbraw/zinc/24/61/10/925246110.db2.gz IWGCCDVANAMVAL-CHWSQXEVSA-N 1 2 285.347 1.332 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc(C4CC4)o3)[C@@H]2C1 ZINC001084415170 925246116 /nfs/dbraw/zinc/24/61/16/925246116.db2.gz IWGCCDVANAMVAL-CHWSQXEVSA-N 1 2 285.347 1.332 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)CCCC)c1nccn12 ZINC001101608535 936994103 /nfs/dbraw/zinc/99/41/03/936994103.db2.gz FJROKVYEBVYAJF-CYBMUJFWSA-N 1 2 288.395 1.831 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncccn3)[C@H]2C1 ZINC001084906178 925490999 /nfs/dbraw/zinc/49/09/99/925490999.db2.gz FYAKTVUVOPVNMV-MJBXVCDLSA-N 1 2 299.378 1.059 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncccn3)[C@H]2C1 ZINC001084906178 925491004 /nfs/dbraw/zinc/49/10/04/925491004.db2.gz FYAKTVUVOPVNMV-MJBXVCDLSA-N 1 2 299.378 1.059 20 30 CDEDLO Cc1ncc(C[N@H+]2CC[C@H]2CN(C)C(=O)[C@H](C)C#N)o1 ZINC001231293543 925695028 /nfs/dbraw/zinc/69/50/28/925695028.db2.gz OFNRKKAUGZLIHG-PWSUYJOCSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1ncc(C[N@@H+]2CC[C@H]2CN(C)C(=O)[C@H](C)C#N)o1 ZINC001231293543 925695030 /nfs/dbraw/zinc/69/50/30/925695030.db2.gz OFNRKKAUGZLIHG-PWSUYJOCSA-N 1 2 276.340 1.175 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(F)c1 ZINC001085464278 926015912 /nfs/dbraw/zinc/01/59/12/926015912.db2.gz ZBRAINZIMNTMNK-CQSZACIVSA-N 1 2 260.312 1.605 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(F)c1 ZINC001085464278 926015926 /nfs/dbraw/zinc/01/59/26/926015926.db2.gz ZBRAINZIMNTMNK-CQSZACIVSA-N 1 2 260.312 1.605 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1occc1C ZINC001085487452 926054446 /nfs/dbraw/zinc/05/44/46/926054446.db2.gz ZTAHUORLFBAPBH-ZDUSSCGKSA-N 1 2 260.337 1.758 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1occc1C ZINC001085487452 926054450 /nfs/dbraw/zinc/05/44/50/926054450.db2.gz ZTAHUORLFBAPBH-ZDUSSCGKSA-N 1 2 260.337 1.758 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]nc1C1CC1 ZINC001085904166 926494261 /nfs/dbraw/zinc/49/42/61/926494261.db2.gz YIRRSKHEOSPOJU-LBPRGKRZSA-N 1 2 272.352 1.067 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]nc1C1CC1 ZINC001085904166 926494265 /nfs/dbraw/zinc/49/42/65/926494265.db2.gz YIRRSKHEOSPOJU-LBPRGKRZSA-N 1 2 272.352 1.067 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nn(C)c2ccccc12 ZINC001085933112 926518745 /nfs/dbraw/zinc/51/87/45/926518745.db2.gz PXJXBAHQHMMWQE-CYBMUJFWSA-N 1 2 296.374 1.353 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nn(C)c2ccccc12 ZINC001085933112 926518750 /nfs/dbraw/zinc/51/87/50/926518750.db2.gz PXJXBAHQHMMWQE-CYBMUJFWSA-N 1 2 296.374 1.353 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(Cl)no1 ZINC001085935140 926521415 /nfs/dbraw/zinc/52/14/15/926521415.db2.gz XEJRNXDZSXDVFO-SECBINFHSA-N 1 2 267.716 1.108 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(Cl)no1 ZINC001085935140 926521420 /nfs/dbraw/zinc/52/14/20/926521420.db2.gz XEJRNXDZSXDVFO-SECBINFHSA-N 1 2 267.716 1.108 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nc(C)c(C)s1 ZINC001085979487 926566754 /nfs/dbraw/zinc/56/67/54/926566754.db2.gz TYHJUQOVJRZTKF-ZDUSSCGKSA-N 1 2 291.420 1.930 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nc(C)c(C)s1 ZINC001085979487 926566759 /nfs/dbraw/zinc/56/67/59/926566759.db2.gz TYHJUQOVJRZTKF-ZDUSSCGKSA-N 1 2 291.420 1.930 20 30 CDEDLO N#Cc1ccc2c(C[NH+]3CCN(C#N)CC3)c[nH]c2c1 ZINC001142931661 937095739 /nfs/dbraw/zinc/09/57/39/937095739.db2.gz STNGCTDSPZXOKP-UHFFFAOYSA-N 1 2 265.320 1.638 20 30 CDEDLO CN(CC[NH+]1CCOCC1)Cc1c(F)ccc(C#N)c1F ZINC001143165439 937127317 /nfs/dbraw/zinc/12/73/17/937127317.db2.gz ZOJKICBPIFQLOC-UHFFFAOYSA-N 1 2 295.333 1.600 20 30 CDEDLO C[C@@H]1C[C@H](N2CC[NH2+]C[C@@H]2C#N)CN1C(=O)OC(C)(C)C ZINC001168852221 927493425 /nfs/dbraw/zinc/49/34/25/927493425.db2.gz WVLNFDBLABMYNE-AGIUHOORSA-N 1 2 294.399 1.182 20 30 CDEDLO N#Cc1cnnc(NCCc2cn3ccccc3[nH+]2)c1 ZINC001169003779 927607780 /nfs/dbraw/zinc/60/77/80/927607780.db2.gz FJVHZEIHTSBIFC-UHFFFAOYSA-N 1 2 264.292 1.651 20 30 CDEDLO Cc1cnc(N2CC[NH2+]C[C@@H]2C#N)c(C#C[Si](C)(C)C)c1 ZINC001156327583 928075546 /nfs/dbraw/zinc/07/55/46/928075546.db2.gz GRRVBZRCRBBNIC-HNNXBMFYSA-N 1 2 298.466 1.921 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc3[nH]ccc3c2)CC1 ZINC001151012616 937262992 /nfs/dbraw/zinc/26/29/92/937262992.db2.gz HUUSFUJGBBUIAW-UHFFFAOYSA-N 1 2 270.336 1.458 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC1CC1)C2 ZINC001108977632 928751292 /nfs/dbraw/zinc/75/12/92/928751292.db2.gz RBXAIRAMUAQYDP-RDBSUJKOSA-N 1 2 298.814 1.887 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC1CC1)C2 ZINC001108977632 928751297 /nfs/dbraw/zinc/75/12/97/928751297.db2.gz RBXAIRAMUAQYDP-RDBSUJKOSA-N 1 2 298.814 1.887 20 30 CDEDLO C=CCO[C@H](C)C(=O)N[C@@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001108995864 928759405 /nfs/dbraw/zinc/75/94/05/928759405.db2.gz LDROUCJPQNWOLS-NWDGAFQWSA-N 1 2 292.383 1.317 20 30 CDEDLO C[NH2+][C@H]1CCN1C(F)(F)c1nc(Cl)ccc1C#N ZINC001156657385 928893559 /nfs/dbraw/zinc/89/35/59/928893559.db2.gz AHRYFFFWOFHAQW-SECBINFHSA-N 1 2 272.686 1.907 20 30 CDEDLO C=CCCCC(=O)N(CCO)CCNc1cc[nH+]c(C)n1 ZINC001111548934 928926349 /nfs/dbraw/zinc/92/63/49/928926349.db2.gz HCBSGNVVPHVBDZ-UHFFFAOYSA-N 1 2 292.383 1.374 20 30 CDEDLO CN(CCCNc1ccc(C#N)nc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001109633518 928994244 /nfs/dbraw/zinc/99/42/44/928994244.db2.gz GIBFUHRYQZQYAJ-UHFFFAOYSA-N 1 2 298.350 1.179 20 30 CDEDLO CC(C)C#CC(=O)N1CC[NH+](CCOCC2CCC2)CC1 ZINC001112833038 929468823 /nfs/dbraw/zinc/46/88/23/929468823.db2.gz DUJUCJNVHMVKCY-UHFFFAOYSA-N 1 2 292.423 1.607 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)CC(F)F)CC1 ZINC001112950035 929588687 /nfs/dbraw/zinc/58/86/87/929588687.db2.gz GVXBXZMBIVYMAM-UHFFFAOYSA-N 1 2 260.328 1.998 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001134410461 929735061 /nfs/dbraw/zinc/73/50/61/929735061.db2.gz RFTMXSGLFNAJTF-UHFFFAOYSA-N 1 2 265.357 1.791 20 30 CDEDLO CC[N@H+](Cc1nocc1C)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153241023 937432098 /nfs/dbraw/zinc/43/20/98/937432098.db2.gz PTFQWKPZNFUAHH-CYBMUJFWSA-N 1 2 289.379 1.723 20 30 CDEDLO CC[N@@H+](Cc1nocc1C)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153241023 937432100 /nfs/dbraw/zinc/43/21/00/937432100.db2.gz PTFQWKPZNFUAHH-CYBMUJFWSA-N 1 2 289.379 1.723 20 30 CDEDLO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136036880 930614654 /nfs/dbraw/zinc/61/46/54/930614654.db2.gz ZMOKDDRQNCZXKV-VXGBXAGGSA-N 1 2 276.384 1.157 20 30 CDEDLO Cc1nc(N2CCC(CNC(=O)C#CC3CC3)CC2)cc[nH+]1 ZINC001095356840 930990591 /nfs/dbraw/zinc/99/05/91/930990591.db2.gz PVQIJRCLMAPFTD-UHFFFAOYSA-N 1 2 298.390 1.531 20 30 CDEDLO C#CCCCNC(=O)c1nc2c(s1)C[N@H+](C)CC2 ZINC001154221286 937518817 /nfs/dbraw/zinc/51/88/17/937518817.db2.gz JDKBOTUJSLUDFP-UHFFFAOYSA-N 1 2 263.366 1.274 20 30 CDEDLO C#CCCCNC(=O)c1nc2c(s1)C[N@@H+](C)CC2 ZINC001154221286 937518820 /nfs/dbraw/zinc/51/88/20/937518820.db2.gz JDKBOTUJSLUDFP-UHFFFAOYSA-N 1 2 263.366 1.274 20 30 CDEDLO N#Cc1cncc(C[NH+]2CCN(c3cccnc3)CC2)c1 ZINC001144074660 931646649 /nfs/dbraw/zinc/64/66/49/931646649.db2.gz YWETURNWCQFIHO-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO Cn1cc(CN2CCC23C[NH+](Cc2ccc[nH]2)C3)cc1C#N ZINC001275854278 932093367 /nfs/dbraw/zinc/09/33/67/932093367.db2.gz AQETXUDPEQGVIR-UHFFFAOYSA-N 1 2 295.390 1.685 20 30 CDEDLO CC(C)COc1cc(N[C@@H]2C(=O)N(O)C[C@@H]2C)cc[nH+]1 ZINC001171369234 932888882 /nfs/dbraw/zinc/88/88/82/932888882.db2.gz RBKLZXMCURZMPX-GWCFXTLKSA-N 1 2 279.340 1.764 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)F)c1nccn12 ZINC001092345091 932936063 /nfs/dbraw/zinc/93/60/63/932936063.db2.gz KTGLXLXJEYIUQV-NSHDSACASA-N 1 2 292.358 1.389 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cscn3)C[C@H]21 ZINC001114689207 934916875 /nfs/dbraw/zinc/91/68/75/934916875.db2.gz FZMGZIYOXNZNJM-ITGUQSILSA-N 1 2 291.420 1.902 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cscn3)C[C@H]21 ZINC001114689207 934916878 /nfs/dbraw/zinc/91/68/78/934916878.db2.gz FZMGZIYOXNZNJM-ITGUQSILSA-N 1 2 291.420 1.902 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]ccc1C1CC1 ZINC001017605247 935644472 /nfs/dbraw/zinc/64/44/72/935644472.db2.gz ARANFWHIRHKYMZ-OKILXGFUSA-N 1 2 283.375 1.814 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]ccc1C1CC1 ZINC001017605247 935644473 /nfs/dbraw/zinc/64/44/73/935644473.db2.gz ARANFWHIRHKYMZ-OKILXGFUSA-N 1 2 283.375 1.814 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccco2)on1 ZINC001038570195 935749323 /nfs/dbraw/zinc/74/93/23/935749323.db2.gz XGWMNPAESSJOHY-LBPRGKRZSA-N 1 2 299.330 1.762 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccco2)on1 ZINC001038570195 935749326 /nfs/dbraw/zinc/74/93/26/935749326.db2.gz XGWMNPAESSJOHY-LBPRGKRZSA-N 1 2 299.330 1.762 20 30 CDEDLO Cc1nc(N2CC[C@H](NC(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001096368219 936053799 /nfs/dbraw/zinc/05/37/99/936053799.db2.gz BLCCKPYSPRCXSC-ZDUSSCGKSA-N 1 2 272.352 1.139 20 30 CDEDLO Cc1nc(N[C@H]2C[C@@H](NC(=O)C#CC(C)(C)C)C2)cc[nH+]1 ZINC001097181607 936280346 /nfs/dbraw/zinc/28/03/46/936280346.db2.gz NRIMGMFPYIIMOU-BETUJISGSA-N 1 2 286.379 1.894 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC001120736296 937831320 /nfs/dbraw/zinc/83/13/20/937831320.db2.gz JZDXMTFMWAYODH-CYBMUJFWSA-N 1 2 291.395 1.514 20 30 CDEDLO C#CC[NH2+]C1CC2(CC(NC(=O)C(F)C(F)(F)F)C2)C1 ZINC001121145195 937858540 /nfs/dbraw/zinc/85/85/40/937858540.db2.gz UQUCENVAIXKDTB-YZHSWQFHSA-N 1 2 292.276 1.537 20 30 CDEDLO C#CC[NH2+]C1CC2(CC(NC(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001121145195 937858542 /nfs/dbraw/zinc/85/85/42/937858542.db2.gz UQUCENVAIXKDTB-YZHSWQFHSA-N 1 2 292.276 1.537 20 30 CDEDLO C=CC1CCN(c2nnc(Cc3[nH+]ccn3C)n2C)CC1 ZINC001121356585 937868365 /nfs/dbraw/zinc/86/83/65/937868365.db2.gz AMWWBNCQKMRVLL-UHFFFAOYSA-N 1 2 286.383 1.542 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3ncsc3n2)CC1 ZINC001156298760 938349319 /nfs/dbraw/zinc/34/93/19/938349319.db2.gz ZUAGPXWDSXBCTQ-UHFFFAOYSA-N 1 2 288.376 1.635 20 30 CDEDLO Cc1cccc2ccc(N3CC[NH2+]C[C@@H]3C#N)nc12 ZINC001156320623 938351155 /nfs/dbraw/zinc/35/11/55/938351155.db2.gz BEEVZXIVUFQDKE-ZDUSSCGKSA-N 1 2 252.321 1.845 20 30 CDEDLO CCN(c1nc(OC)c(C#N)cc1F)C1C[NH+](C)C1 ZINC001157456861 938494904 /nfs/dbraw/zinc/49/49/04/938494904.db2.gz WLZNXKMSKGFVGK-UHFFFAOYSA-N 1 2 264.304 1.241 20 30 CDEDLO N#CCCCCNc1cc(N2CCC[C@H]2C(N)=O)nc[nH+]1 ZINC001157641681 938525388 /nfs/dbraw/zinc/52/53/88/938525388.db2.gz AXODDMVGKFEZQW-NSHDSACASA-N 1 2 288.355 1.036 20 30 CDEDLO N#CCCCCNc1cc(N2CCC[C@H]2C(N)=O)[nH+]cn1 ZINC001157641681 938525390 /nfs/dbraw/zinc/52/53/90/938525390.db2.gz AXODDMVGKFEZQW-NSHDSACASA-N 1 2 288.355 1.036 20 30 CDEDLO COc1ccc(CNc2cc(CC#N)cc[nH+]2)nn1 ZINC001158550912 938635518 /nfs/dbraw/zinc/63/55/18/938635518.db2.gz ZUMYEYFFOIANDZ-UHFFFAOYSA-N 1 2 255.281 1.558 20 30 CDEDLO N#Cc1c(F)ccnc1N[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC001160723401 938819525 /nfs/dbraw/zinc/81/95/25/938819525.db2.gz GOHXKBSQEAFDQJ-UONOGXRCSA-N 1 2 290.342 1.758 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNc2c[nH]c3c(C#N)cnc-3c2)C1 ZINC001162689216 939118290 /nfs/dbraw/zinc/11/82/90/939118290.db2.gz ACSSEQALKFDYJU-GFCCVEGCSA-N 1 2 271.324 1.177 20 30 CDEDLO C[N@H+]1CCO[C@H](CNc2c[nH]c3c(C#N)cnc-3c2)C1 ZINC001162689216 939118292 /nfs/dbraw/zinc/11/82/92/939118292.db2.gz ACSSEQALKFDYJU-GFCCVEGCSA-N 1 2 271.324 1.177 20 30 CDEDLO Cc1cc(NC[C@H]([NH3+])C(=O)OC(C)(C)C)ncc1C#N ZINC001162849656 939153031 /nfs/dbraw/zinc/15/30/31/939153031.db2.gz POUDDCZKZKBOAI-NSHDSACASA-N 1 2 276.340 1.343 20 30 CDEDLO Cc1cc(N[C@@H](CC(C)C)C(=O)NO)nc(C2CC2)[nH+]1 ZINC001163420339 939266870 /nfs/dbraw/zinc/26/68/70/939266870.db2.gz MHYMICYUICDCFK-NSHDSACASA-N 1 2 278.356 1.994 20 30 CDEDLO Cc1cc(N(C(N)=[NH2+])c2ccc(C)c(C#N)n2)n[nH]1 ZINC001163510042 939279663 /nfs/dbraw/zinc/27/96/63/939279663.db2.gz QYPLUCOPWDIXJF-UHFFFAOYSA-N 1 2 255.285 1.325 20 30 CDEDLO Cc1ccnc(N2CC[NH2+]CC(F)(F)C2)c1C#N ZINC001164488961 939478510 /nfs/dbraw/zinc/47/85/10/939478510.db2.gz TVWFQJKJZWTLAS-UHFFFAOYSA-N 1 2 252.268 1.307 20 30 CDEDLO Cc1ccc2ccnc(N3CC[NH2+]C[C@H]3C#N)c2c1 ZINC001164641257 939501459 /nfs/dbraw/zinc/50/14/59/939501459.db2.gz IXAJIJNXHWUZPG-CYBMUJFWSA-N 1 2 252.321 1.845 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1cc(Cl)nc2ncccc21 ZINC001164641449 939501593 /nfs/dbraw/zinc/50/15/93/939501593.db2.gz LDMMYWLQYIABKX-VIFPVBQESA-N 1 2 273.727 1.585 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3nccnc3C#N)CC2)oc1C ZINC001204533860 939770838 /nfs/dbraw/zinc/77/08/38/939770838.db2.gz RWNOBNDISTZKHN-UHFFFAOYSA-N 1 2 297.362 1.880 20 30 CDEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1ncccn1)CC2 ZINC001207013102 940128040 /nfs/dbraw/zinc/12/80/40/940128040.db2.gz WUYBDHWXJUFFBS-UHFFFAOYSA-N 1 2 286.379 1.620 20 30 CDEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](CC(=O)OCC)C2 ZINC001207416233 940191836 /nfs/dbraw/zinc/19/18/36/940191836.db2.gz MWLNWESXTUGCNB-UKRRQHHQSA-N 1 2 283.368 1.376 20 30 CDEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](CC(=O)OCC)C2 ZINC001207416233 940191837 /nfs/dbraw/zinc/19/18/37/940191837.db2.gz MWLNWESXTUGCNB-UKRRQHHQSA-N 1 2 283.368 1.376 20 30 CDEDLO C=CCCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nc(C)no2)C1 ZINC001207628906 940223660 /nfs/dbraw/zinc/22/36/60/940223660.db2.gz MLAQWXRJUPSZMD-AAEUAGOBSA-N 1 2 292.383 1.986 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)CC)C1 ZINC001208312768 940317181 /nfs/dbraw/zinc/31/71/81/940317181.db2.gz QLVLJRBCJSUBLF-DVVUODLYSA-N 1 2 262.756 1.924 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)CC)C1 ZINC001208312768 940317184 /nfs/dbraw/zinc/31/71/84/940317184.db2.gz QLVLJRBCJSUBLF-DVVUODLYSA-N 1 2 262.756 1.924 20 30 CDEDLO N#Cc1ccc(CCN2CC([N@@H+]3CC[C@H](F)C3)C2)cc1 ZINC001208926778 940407866 /nfs/dbraw/zinc/40/78/66/940407866.db2.gz BCQDHDDMYKZIBP-HNNXBMFYSA-N 1 2 273.355 1.829 20 30 CDEDLO N#Cc1ccc(CCN2CC([N@H+]3CC[C@H](F)C3)C2)cc1 ZINC001208926778 940407871 /nfs/dbraw/zinc/40/78/71/940407871.db2.gz BCQDHDDMYKZIBP-HNNXBMFYSA-N 1 2 273.355 1.829 20 30 CDEDLO C=CCN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C(=O)OCC ZINC001209017514 940424154 /nfs/dbraw/zinc/42/41/54/940424154.db2.gz RFJRWHNUHMDHKD-BETUJISGSA-N 1 2 268.357 1.494 20 30 CDEDLO C=CCN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C(=O)OCC ZINC001209017514 940424158 /nfs/dbraw/zinc/42/41/58/940424158.db2.gz RFJRWHNUHMDHKD-BETUJISGSA-N 1 2 268.357 1.494 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)CC(C)(C)C)[C@H](OC)C1 ZINC001213897685 940788356 /nfs/dbraw/zinc/78/83/56/940788356.db2.gz GRPBQVMQZSVHLG-ZIAGYGMSSA-N 1 2 294.439 1.897 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)CC(C)(C)C)[C@H](OC)C1 ZINC001213897685 940788359 /nfs/dbraw/zinc/78/83/59/940788359.db2.gz GRPBQVMQZSVHLG-ZIAGYGMSSA-N 1 2 294.439 1.897 20 30 CDEDLO C=C1CC[NH2+]C[C@@H]1Oc1[nH]c(=O)nc2cc(C)ccc21 ZINC001218208970 941043965 /nfs/dbraw/zinc/04/39/65/941043965.db2.gz RZBVLYLTIKEDRH-ZDUSSCGKSA-N 1 2 271.320 1.941 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](F)CC)C[C@@H]1O ZINC001220134108 941414382 /nfs/dbraw/zinc/41/43/82/941414382.db2.gz YDFYWDKFQFGNRL-XQQFMLRXSA-N 1 2 286.391 1.498 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](F)CC)C[C@@H]1O ZINC001220134108 941414383 /nfs/dbraw/zinc/41/43/83/941414383.db2.gz YDFYWDKFQFGNRL-XQQFMLRXSA-N 1 2 286.391 1.498 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001220147760 941416114 /nfs/dbraw/zinc/41/61/14/941416114.db2.gz LYWXRIRXWDCBKX-PVTPVBHGSA-N 1 2 272.776 1.112 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001220147760 941416116 /nfs/dbraw/zinc/41/61/16/941416116.db2.gz LYWXRIRXWDCBKX-PVTPVBHGSA-N 1 2 272.776 1.112 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@@H]1O ZINC001220247632 941428145 /nfs/dbraw/zinc/42/81/45/941428145.db2.gz LYBAJCGGJCIZHS-KGLIPLIRSA-N 1 2 293.367 1.001 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@@H]1O ZINC001220247632 941428148 /nfs/dbraw/zinc/42/81/48/941428148.db2.gz LYBAJCGGJCIZHS-KGLIPLIRSA-N 1 2 293.367 1.001 20 30 CDEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2O)CCC1 ZINC001220280859 941431875 /nfs/dbraw/zinc/43/18/75/941431875.db2.gz WTFGMHWYFUUSCC-IVBLRQQYSA-N 1 2 298.814 1.647 20 30 CDEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]2O)CCC1 ZINC001220280859 941431876 /nfs/dbraw/zinc/43/18/76/941431876.db2.gz WTFGMHWYFUUSCC-IVBLRQQYSA-N 1 2 298.814 1.647 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](OCC(=O)c3cccs3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001222088399 941562649 /nfs/dbraw/zinc/56/26/49/941562649.db2.gz VGPVPIIMKDRBLI-OTDFPYDRSA-N 1 2 279.361 1.560 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](OCC(=O)c3cccs3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001222088399 941562650 /nfs/dbraw/zinc/56/26/50/941562650.db2.gz VGPVPIIMKDRBLI-OTDFPYDRSA-N 1 2 279.361 1.560 20 30 CDEDLO COc1cc(OC)cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001225308153 941842858 /nfs/dbraw/zinc/84/28/58/941842858.db2.gz NBLDDKMYIPIFMN-JGPUMOJJSA-N 1 2 291.347 1.695 20 30 CDEDLO COc1cc(OC)cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001225308153 941842863 /nfs/dbraw/zinc/84/28/63/941842863.db2.gz NBLDDKMYIPIFMN-JGPUMOJJSA-N 1 2 291.347 1.695 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Oc1ccc(F)c(C#N)c1 ZINC001225820053 941916960 /nfs/dbraw/zinc/91/69/60/941916960.db2.gz KCCMHTJHFNXLAO-NSHDSACASA-N 1 2 264.300 1.797 20 30 CDEDLO COc1ccc(C#N)c(OC[C@@H]2C[N@H+](C)CCO2)c1 ZINC001226790830 942071972 /nfs/dbraw/zinc/07/19/72/942071972.db2.gz HNNFVKPPRACFBI-ZDUSSCGKSA-N 1 2 262.309 1.276 20 30 CDEDLO COc1ccc(C#N)c(OC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001226790830 942071977 /nfs/dbraw/zinc/07/19/77/942071977.db2.gz HNNFVKPPRACFBI-ZDUSSCGKSA-N 1 2 262.309 1.276 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc(NC(N)=O)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227201172 942148740 /nfs/dbraw/zinc/14/87/40/942148740.db2.gz ZLELGIAPTVSYHX-KLLCGCCRSA-N 1 2 289.335 1.168 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc(NC(N)=O)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227201172 942148743 /nfs/dbraw/zinc/14/87/43/942148743.db2.gz ZLELGIAPTVSYHX-KLLCGCCRSA-N 1 2 289.335 1.168 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC001229528066 942489033 /nfs/dbraw/zinc/48/90/33/942489033.db2.gz VIQNGVKCDORHMT-GFCCVEGCSA-N 1 2 277.280 1.176 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC001229528066 942489037 /nfs/dbraw/zinc/48/90/37/942489037.db2.gz VIQNGVKCDORHMT-GFCCVEGCSA-N 1 2 277.280 1.176 20 30 CDEDLO C=CCOc1ccccc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001229611936 942499562 /nfs/dbraw/zinc/49/95/62/942499562.db2.gz OLXYFNGPXGHMFL-ZDUSSCGKSA-N 1 2 263.337 1.961 20 30 CDEDLO C=CCOc1ccccc1OC[C@@H]1C[N@H+](C)CCO1 ZINC001229611936 942499556 /nfs/dbraw/zinc/49/95/56/942499556.db2.gz OLXYFNGPXGHMFL-ZDUSSCGKSA-N 1 2 263.337 1.961 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cnoc1C ZINC001231170629 942807795 /nfs/dbraw/zinc/80/77/95/942807795.db2.gz ROFLHPXBHCLQHD-CQSZACIVSA-N 1 2 277.368 1.982 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cnoc1C ZINC001231170629 942807800 /nfs/dbraw/zinc/80/78/00/942807800.db2.gz ROFLHPXBHCLQHD-CQSZACIVSA-N 1 2 277.368 1.982 20 30 CDEDLO CCOC(=O)CN(CCC#N)Cc1cc(OC)cc[nH+]1 ZINC001231969529 943077281 /nfs/dbraw/zinc/07/72/81/943077281.db2.gz JLTVNLIRCWDZIF-UHFFFAOYSA-N 1 2 277.324 1.369 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cccc(C(F)(F)F)n2)CC1 ZINC001232071420 943124746 /nfs/dbraw/zinc/12/47/46/943124746.db2.gz HLWCXUIMAGCQLR-UHFFFAOYSA-N 1 2 283.297 1.851 20 30 CDEDLO Cn1cc(C[NH+]2CC3(CN(c4cnccn4)C3)C2)cc1C#N ZINC001277664292 943274417 /nfs/dbraw/zinc/27/44/17/943274417.db2.gz ZAIZDEZYZPOBBX-UHFFFAOYSA-N 1 2 294.362 1.009 20 30 CDEDLO COC(=O)[C@H]1C[N@H+](Cc2cc(C#N)ccc2O)CC12CC2 ZINC001232681627 943362155 /nfs/dbraw/zinc/36/21/55/943362155.db2.gz UJRSAXUCIMNZDD-CYBMUJFWSA-N 1 2 286.331 1.649 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(C#N)ccc2O)CC12CC2 ZINC001232681627 943362164 /nfs/dbraw/zinc/36/21/64/943362164.db2.gz UJRSAXUCIMNZDD-CYBMUJFWSA-N 1 2 286.331 1.649 20 30 CDEDLO CNC(=O)C[N@H+](C)Cc1ccc(Br)c(C#N)c1 ZINC001232893156 943427422 /nfs/dbraw/zinc/42/74/22/943427422.db2.gz CHMLNCWJIDBMAQ-UHFFFAOYSA-N 1 2 296.168 1.499 20 30 CDEDLO CNC(=O)C[N@@H+](C)Cc1ccc(Br)c(C#N)c1 ZINC001232893156 943427423 /nfs/dbraw/zinc/42/74/23/943427423.db2.gz CHMLNCWJIDBMAQ-UHFFFAOYSA-N 1 2 296.168 1.499 20 30 CDEDLO CC1(C)C[N@@H+](C2CN(Cc3[nH]ccc3C#N)C2)CCO1 ZINC001233047816 943474822 /nfs/dbraw/zinc/47/48/22/943474822.db2.gz MFXOPEIJXRIIEG-UHFFFAOYSA-N 1 2 274.368 1.181 20 30 CDEDLO CC1(C)C[N@H+](C2CN(Cc3[nH]ccc3C#N)C2)CCO1 ZINC001233047816 943474825 /nfs/dbraw/zinc/47/48/25/943474825.db2.gz MFXOPEIJXRIIEG-UHFFFAOYSA-N 1 2 274.368 1.181 20 30 CDEDLO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC001233049147 943475710 /nfs/dbraw/zinc/47/57/10/943475710.db2.gz YWBLJMCRSRXJGP-LBPRGKRZSA-N 1 2 256.313 1.315 20 30 CDEDLO N#Cc1cc[nH]c1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC001233049147 943475713 /nfs/dbraw/zinc/47/57/13/943475713.db2.gz YWBLJMCRSRXJGP-LBPRGKRZSA-N 1 2 256.313 1.315 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(F)=C(C)C ZINC001233655204 943634467 /nfs/dbraw/zinc/63/44/67/943634467.db2.gz WRKUQXLMPIMUCN-ZDUSSCGKSA-N 1 2 282.359 1.432 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(F)=C(C)C ZINC001233655204 943634469 /nfs/dbraw/zinc/63/44/69/943634469.db2.gz WRKUQXLMPIMUCN-ZDUSSCGKSA-N 1 2 282.359 1.432 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1nc(C2CC2)no1 ZINC001235436772 944155812 /nfs/dbraw/zinc/15/58/12/944155812.db2.gz SVGCLNGRTKGGKP-UHFFFAOYSA-N 1 2 292.383 1.851 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1nc(C2CC2)no1 ZINC001235436772 944155816 /nfs/dbraw/zinc/15/58/16/944155816.db2.gz SVGCLNGRTKGGKP-UHFFFAOYSA-N 1 2 292.383 1.851 20 30 CDEDLO Cn1ncc2c1C[N@H+](Cc1cn3cc(C#N)ccc3n1)CC2 ZINC001237607323 944879521 /nfs/dbraw/zinc/87/95/21/944879521.db2.gz VMVWULDSXYYQJN-UHFFFAOYSA-N 1 2 292.346 1.498 20 30 CDEDLO Cn1ncc2c1C[N@@H+](Cc1cn3cc(C#N)ccc3n1)CC2 ZINC001237607323 944879527 /nfs/dbraw/zinc/87/95/27/944879527.db2.gz VMVWULDSXYYQJN-UHFFFAOYSA-N 1 2 292.346 1.498 20 30 CDEDLO Cc1nc[nH]c1C[N@@H+]1CC[C@H]2C[C@]21C(=O)N1CC(CC#N)C1 ZINC001278354969 946923565 /nfs/dbraw/zinc/92/35/65/946923565.db2.gz RGCUPHPSXDHSTE-XJKSGUPXSA-N 1 2 299.378 1.055 20 30 CDEDLO Cc1nc[nH]c1C[N@H+]1CC[C@H]2C[C@]21C(=O)N1CC(CC#N)C1 ZINC001278354969 946923575 /nfs/dbraw/zinc/92/35/75/946923575.db2.gz RGCUPHPSXDHSTE-XJKSGUPXSA-N 1 2 299.378 1.055 20 30 CDEDLO CN1CCOc2c1cn[nH+]c2-c1ccc(C#N)cc1 ZINC001245495554 947706970 /nfs/dbraw/zinc/70/69/70/947706970.db2.gz VAJABEJPUMIUCW-UHFFFAOYSA-N 1 2 252.277 1.844 20 30 CDEDLO CC[C@@H](CC#N)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001255169300 947761326 /nfs/dbraw/zinc/76/13/26/947761326.db2.gz CXRHEZRXBMXOQD-ZDUSSCGKSA-N 1 2 299.382 1.421 20 30 CDEDLO CCCCOC(=O)CC[C@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001257390241 948586187 /nfs/dbraw/zinc/58/61/87/948586187.db2.gz AVXPBYILSMOEQA-STQMWFEESA-N 1 2 267.373 1.296 20 30 CDEDLO C=CCOC(=O)CC[C@H]([NH2+][C@@H](C)CC)C(=O)OCC=C ZINC001257431242 948592033 /nfs/dbraw/zinc/59/20/33/948592033.db2.gz AKWPDBVTKZBWOP-STQMWFEESA-N 1 2 283.368 1.982 20 30 CDEDLO CO[C@H](C)[C@H]([NH3+])c1nc(-c2cc(C#N)ccc2F)no1 ZINC001247962964 948896357 /nfs/dbraw/zinc/89/63/57/948896357.db2.gz GPFDZUSLMJDXCM-HQJQHLMTSA-N 1 2 276.271 1.782 20 30 CDEDLO C#Cc1cc(Nc2cnn(CC(F)(F)F)c2)cc[nH+]1 ZINC001248644848 949087434 /nfs/dbraw/zinc/08/74/34/949087434.db2.gz QNCRPJARXDILND-UHFFFAOYSA-N 1 2 266.226 1.987 20 30 CDEDLO N#Cc1c(F)cccc1C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001362747249 971584403 /nfs/dbraw/zinc/58/44/03/971584403.db2.gz MONMKSJQSPDNSG-UHFFFAOYSA-N 1 2 296.305 1.873 20 30 CDEDLO N#Cc1ccc2cc(C[N@@H+]3CCCNC(=O)C3)[nH]c2c1 ZINC001249426785 949590834 /nfs/dbraw/zinc/59/08/34/949590834.db2.gz GZZLOKCFCNOJKZ-UHFFFAOYSA-N 1 2 268.320 1.361 20 30 CDEDLO N#Cc1ccc2cc(C[N@H+]3CCCNC(=O)C3)[nH]c2c1 ZINC001249426785 949590848 /nfs/dbraw/zinc/59/08/48/949590848.db2.gz GZZLOKCFCNOJKZ-UHFFFAOYSA-N 1 2 268.320 1.361 20 30 CDEDLO C#Cc1cc(Nc2ccccc2CC(N)=O)cc[nH+]1 ZINC001249597722 949696142 /nfs/dbraw/zinc/69/61/42/949696142.db2.gz OBVIOUUSANBWLV-UHFFFAOYSA-N 1 2 251.289 1.256 20 30 CDEDLO C#CCOC[C@@H](O)C[NH2+][C@@H](CC1CCCCC1)C(=O)OC ZINC001251888465 950918131 /nfs/dbraw/zinc/91/81/31/950918131.db2.gz ULKVPYVGVICFGU-GJZGRUSLSA-N 1 2 297.395 1.099 20 30 CDEDLO C=CCOC[C@H](O)CNc1ccc(-n2cc[nH+]c2)cc1 ZINC001252451844 951289699 /nfs/dbraw/zinc/28/96/99/951289699.db2.gz XRLUHUPMOVOFPZ-OAHLLOKOSA-N 1 2 273.336 1.848 20 30 CDEDLO C=C[C@](C)(O)C[N@@H+]1CCN(c2ccc(Cl)cc2)C(=O)C1 ZINC001252559226 951455970 /nfs/dbraw/zinc/45/59/70/951455970.db2.gz UCQYRWPDWLQZMW-HNNXBMFYSA-N 1 2 294.782 1.926 20 30 CDEDLO C=C[C@](C)(O)C[N@H+]1CCN(c2ccc(Cl)cc2)C(=O)C1 ZINC001252559226 951455977 /nfs/dbraw/zinc/45/59/77/951455977.db2.gz UCQYRWPDWLQZMW-HNNXBMFYSA-N 1 2 294.782 1.926 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1Cc2nnn(C)c2[C@@H](COCC)C1 ZINC001252595430 951488195 /nfs/dbraw/zinc/48/81/95/951488195.db2.gz HPMINWWUWPZSSW-CHWSQXEVSA-N 1 2 294.399 1.078 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1Cc2nnn(C)c2[C@@H](COCC)C1 ZINC001252595430 951488201 /nfs/dbraw/zinc/48/82/01/951488201.db2.gz HPMINWWUWPZSSW-CHWSQXEVSA-N 1 2 294.399 1.078 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC001364442181 954618856 /nfs/dbraw/zinc/61/88/56/954618856.db2.gz DRGYZFOEVGLYMG-UWVGGRQHSA-N 1 2 274.324 1.004 20 30 CDEDLO C=CC[N@H+](CN1CC2(CC2)CC1=O)[C@@H](C)COC ZINC001328024400 955165968 /nfs/dbraw/zinc/16/59/68/955165968.db2.gz QLHPTCXZVKJLQQ-LBPRGKRZSA-N 1 2 252.358 1.479 20 30 CDEDLO C=CC[N@@H+](CN1CC2(CC2)CC1=O)[C@@H](C)COC ZINC001328024400 955165973 /nfs/dbraw/zinc/16/59/73/955165973.db2.gz QLHPTCXZVKJLQQ-LBPRGKRZSA-N 1 2 252.358 1.479 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C[C@H]1CCOC1 ZINC001422557940 956152612 /nfs/dbraw/zinc/15/26/12/956152612.db2.gz BZZWXXNRPKGZSP-NWDGAFQWSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C[C@H]1CCOC1 ZINC001422557940 956152622 /nfs/dbraw/zinc/15/26/22/956152622.db2.gz BZZWXXNRPKGZSP-NWDGAFQWSA-N 1 2 274.792 1.602 20 30 CDEDLO N#CCC1CC[NH+](Cc2ccc(S(N)(=O)=O)o2)CC1 ZINC001423107477 956589476 /nfs/dbraw/zinc/58/94/76/956589476.db2.gz ZMMJXFKUMCGEFD-UHFFFAOYSA-N 1 2 283.353 1.053 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CCn1cccn1 ZINC001366600307 957017605 /nfs/dbraw/zinc/01/76/05/957017605.db2.gz VQCOJDZOZTUWPH-UHFFFAOYSA-N 1 2 284.791 1.464 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CCn1cccn1 ZINC001366600307 957017615 /nfs/dbraw/zinc/01/76/15/957017615.db2.gz VQCOJDZOZTUWPH-UHFFFAOYSA-N 1 2 284.791 1.464 20 30 CDEDLO CO[C@H](C)C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001366958590 957300252 /nfs/dbraw/zinc/30/02/52/957300252.db2.gz UMWMYCPMUKSMCK-GFCCVEGCSA-N 1 2 287.363 1.141 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2cncs2)C1 ZINC001425222222 957494037 /nfs/dbraw/zinc/49/40/37/957494037.db2.gz OXRDJHIELGSBHA-JTQLQIEISA-N 1 2 299.827 1.875 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2cc(C)on2)C1 ZINC001425236769 957496616 /nfs/dbraw/zinc/49/66/16/957496616.db2.gz RFZCRSQSMMMOOE-LLVKDONJSA-N 1 2 297.786 1.715 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1cc(C)on1 ZINC001367790359 958360035 /nfs/dbraw/zinc/36/00/35/958360035.db2.gz SHXCMNCUNZBVEE-JTQLQIEISA-N 1 2 285.775 1.715 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1cc(C)on1 ZINC001367790359 958360044 /nfs/dbraw/zinc/36/00/44/958360044.db2.gz SHXCMNCUNZBVEE-JTQLQIEISA-N 1 2 285.775 1.715 20 30 CDEDLO Nc1cnnc(N=NCc2cccc3[nH+]ccn32)c1Cl ZINC001334130820 958867334 /nfs/dbraw/zinc/86/73/34/958867334.db2.gz YSRFXCUTHUCIOM-UHFFFAOYSA-N 1 2 287.714 1.806 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc(OC)ncn1 ZINC001368939390 959296637 /nfs/dbraw/zinc/29/66/37/959296637.db2.gz IVZCXKDEMRFXFU-JTQLQIEISA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(OC)ncn1 ZINC001368939390 959296648 /nfs/dbraw/zinc/29/66/48/959296648.db2.gz IVZCXKDEMRFXFU-JTQLQIEISA-N 1 2 298.774 1.288 20 30 CDEDLO N#CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001321087094 959582225 /nfs/dbraw/zinc/58/22/25/959582225.db2.gz IFPFPNKRRYAGMO-AWEZNQCLSA-N 1 2 272.352 1.466 20 30 CDEDLO N#CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001321087094 959582231 /nfs/dbraw/zinc/58/22/31/959582231.db2.gz IFPFPNKRRYAGMO-AWEZNQCLSA-N 1 2 272.352 1.466 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)COCC2CC2)C1 ZINC001369801727 959870888 /nfs/dbraw/zinc/87/08/88/959870888.db2.gz WAKNTGBKBXVPEG-CYBMUJFWSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)COCC2CC2)C1 ZINC001369801727 959870898 /nfs/dbraw/zinc/87/08/98/959870898.db2.gz WAKNTGBKBXVPEG-CYBMUJFWSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(C)CN(C)c1cc(N[C@H](CC)CO)[nH+]cn1 ZINC001336796780 960600183 /nfs/dbraw/zinc/60/01/83/960600183.db2.gz INBVFHOVUOUDNW-LLVKDONJSA-N 1 2 250.346 1.672 20 30 CDEDLO C=C(C)CN(C)c1cc(N[C@H](CC)CO)nc[nH+]1 ZINC001336796780 960600186 /nfs/dbraw/zinc/60/01/86/960600186.db2.gz INBVFHOVUOUDNW-LLVKDONJSA-N 1 2 250.346 1.672 20 30 CDEDLO C=C[C@H](COC)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001323931046 961056753 /nfs/dbraw/zinc/05/67/53/961056753.db2.gz WDVGJLLXQJPQGG-SNVBAGLBSA-N 1 2 260.297 1.657 20 30 CDEDLO C#C[C@H](C)N(C)c1nnc([C@H]2CCCC[N@@H+]2C)n1C ZINC001338580411 961892189 /nfs/dbraw/zinc/89/21/89/961892189.db2.gz SPGLKTIXAICUMU-NWDGAFQWSA-N 1 2 261.373 1.430 20 30 CDEDLO C#C[C@H](C)N(C)c1nnc([C@H]2CCCC[N@H+]2C)n1C ZINC001338580411 961892214 /nfs/dbraw/zinc/89/22/14/961892214.db2.gz SPGLKTIXAICUMU-NWDGAFQWSA-N 1 2 261.373 1.430 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccnc(C2CC2)n1 ZINC001437526521 962991270 /nfs/dbraw/zinc/99/12/70/962991270.db2.gz PBTKINVLZNEWRI-UHFFFAOYSA-N 1 2 294.786 1.768 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccnc(C2CC2)n1 ZINC001437526521 962991281 /nfs/dbraw/zinc/99/12/81/962991281.db2.gz PBTKINVLZNEWRI-UHFFFAOYSA-N 1 2 294.786 1.768 20 30 CDEDLO C#CCN(CC1CC1)C(=O)c1cccc2[nH+]ccn21 ZINC001341076556 963265482 /nfs/dbraw/zinc/26/54/82/963265482.db2.gz IUDFAFJKPQPMED-UHFFFAOYSA-N 1 2 253.305 1.820 20 30 CDEDLO C=CCCN(C)C(=O)C(=O)NCc1c[nH+]c(C)cc1C ZINC001345397626 964693025 /nfs/dbraw/zinc/69/30/25/964693025.db2.gz MVNXIYSWNQNYML-UHFFFAOYSA-N 1 2 275.352 1.349 20 30 CDEDLO C=C(CC)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC001346972943 965317619 /nfs/dbraw/zinc/31/76/19/965317619.db2.gz QCEAHHFXZWXACC-CHWSQXEVSA-N 1 2 252.358 1.274 20 30 CDEDLO COC(=O)c1cc(C[N@H+](C)C[C@H](O)CC#N)oc1C ZINC001347138991 965392054 /nfs/dbraw/zinc/39/20/54/965392054.db2.gz QCMVVLBTROOAKQ-SNVBAGLBSA-N 1 2 266.297 1.081 20 30 CDEDLO COC(=O)c1cc(C[N@@H+](C)C[C@H](O)CC#N)oc1C ZINC001347138991 965392063 /nfs/dbraw/zinc/39/20/63/965392063.db2.gz QCMVVLBTROOAKQ-SNVBAGLBSA-N 1 2 266.297 1.081 20 30 CDEDLO C=C(CC)C(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC001348528286 966041233 /nfs/dbraw/zinc/04/12/33/966041233.db2.gz RNVUMASSRWKKLQ-UHFFFAOYSA-N 1 2 296.411 1.339 20 30 CDEDLO C[C@H](C(=O)N1CCc2c1cccc2C#N)n1cc[nH+]c1 ZINC001348655426 966116116 /nfs/dbraw/zinc/11/61/16/966116116.db2.gz ROASPHIHLASLNE-LLVKDONJSA-N 1 2 266.304 1.905 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)o2)C1 ZINC001479944144 966272804 /nfs/dbraw/zinc/27/28/04/966272804.db2.gz NZTSRRAYWAONAB-ZDUSSCGKSA-N 1 2 276.336 1.042 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C)o2)C1 ZINC001479944144 966272810 /nfs/dbraw/zinc/27/28/10/966272810.db2.gz NZTSRRAYWAONAB-ZDUSSCGKSA-N 1 2 276.336 1.042 20 30 CDEDLO C[C@H](CNC(=O)c1cc(C#N)ccn1)Cn1cc[nH+]c1 ZINC001544230367 967348854 /nfs/dbraw/zinc/34/88/54/967348854.db2.gz ZFRRCHVGAAIVOZ-LLVKDONJSA-N 1 2 269.308 1.216 20 30 CDEDLO C=CCNC(=S)N1CCC(n2cc[nH+]c2)CC1 ZINC001200289672 967848578 /nfs/dbraw/zinc/84/85/78/967848578.db2.gz IMQHIRPWVXOREN-UHFFFAOYSA-N 1 2 250.371 1.581 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001520991995 970254378 /nfs/dbraw/zinc/25/43/78/970254378.db2.gz CPZBLTSOAPUTQK-AWEZNQCLSA-N 1 2 287.319 1.939 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001520991995 970254383 /nfs/dbraw/zinc/25/43/83/970254383.db2.gz CPZBLTSOAPUTQK-AWEZNQCLSA-N 1 2 287.319 1.939 20 30 CDEDLO CCN(CC[NH2+][C@H](C)c1nnc(C)o1)C(=O)[C@H](C)C#N ZINC001497362986 973311843 /nfs/dbraw/zinc/31/18/43/973311843.db2.gz XFOUOEBVMAFATK-NXEZZACHSA-N 1 2 279.344 1.037 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC2(O)CCC2)C1 ZINC001417939806 973486564 /nfs/dbraw/zinc/48/65/64/973486564.db2.gz OAWRQPCMYQLJKF-NSHDSACASA-N 1 2 272.776 1.235 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2(O)CCC2)C1 ZINC001417939806 973486572 /nfs/dbraw/zinc/48/65/72/973486572.db2.gz OAWRQPCMYQLJKF-NSHDSACASA-N 1 2 272.776 1.235 20 30 CDEDLO Cc1cnc(C[N@@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)o1 ZINC001502166847 974712072 /nfs/dbraw/zinc/71/20/72/974712072.db2.gz HXYDQQKIKFFFPN-NSHDSACASA-N 1 2 278.356 1.423 20 30 CDEDLO Cc1cnc(C[N@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)o1 ZINC001502166847 974712078 /nfs/dbraw/zinc/71/20/78/974712078.db2.gz HXYDQQKIKFFFPN-NSHDSACASA-N 1 2 278.356 1.423 20 30 CDEDLO CCc1cnc(C[N@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)o1 ZINC001376909559 974815183 /nfs/dbraw/zinc/81/51/83/974815183.db2.gz LINVQBLQFSJCLE-LBPRGKRZSA-N 1 2 292.383 1.677 20 30 CDEDLO CCc1cnc(C[N@@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)o1 ZINC001376909559 974815185 /nfs/dbraw/zinc/81/51/85/974815185.db2.gz LINVQBLQFSJCLE-LBPRGKRZSA-N 1 2 292.383 1.677 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1cnn(CC)c1 ZINC001506036075 975096869 /nfs/dbraw/zinc/09/68/69/975096869.db2.gz FKGKOHKONOGPQJ-GFCCVEGCSA-N 1 2 298.818 1.635 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1cnn(CC)c1 ZINC001506036075 975096874 /nfs/dbraw/zinc/09/68/74/975096874.db2.gz FKGKOHKONOGPQJ-GFCCVEGCSA-N 1 2 298.818 1.635 20 30 CDEDLO Cc1ocnc1C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001390741318 976473769 /nfs/dbraw/zinc/47/37/69/976473769.db2.gz IRFZGYYYGBAYSB-UHFFFAOYSA-N 1 2 298.346 1.717 20 30 CDEDLO Cc1ocnc1C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001390741318 976473775 /nfs/dbraw/zinc/47/37/75/976473775.db2.gz IRFZGYYYGBAYSB-UHFFFAOYSA-N 1 2 298.346 1.717 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(CCC)n[nH]1 ZINC001390804955 976523003 /nfs/dbraw/zinc/52/30/03/976523003.db2.gz KHXAFQQIDDWMMW-UHFFFAOYSA-N 1 2 284.791 1.776 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(CCC)n[nH]1 ZINC001390804955 976523015 /nfs/dbraw/zinc/52/30/15/976523015.db2.gz KHXAFQQIDDWMMW-UHFFFAOYSA-N 1 2 284.791 1.776 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@]1(C)CCCOC1 ZINC001399789340 976679178 /nfs/dbraw/zinc/67/91/78/976679178.db2.gz CSLSVMIFNYMNAW-AWEZNQCLSA-N 1 2 288.819 1.994 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@]1(C)CCCOC1 ZINC001399789340 976679185 /nfs/dbraw/zinc/67/91/85/976679185.db2.gz CSLSVMIFNYMNAW-AWEZNQCLSA-N 1 2 288.819 1.994 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC1C[NH+](Cc2cc(F)ccc2F)C1 ZINC001391475477 976907903 /nfs/dbraw/zinc/90/79/03/976907903.db2.gz PJLJPMVSRUNFNX-JTQLQIEISA-N 1 2 293.317 1.672 20 30 CDEDLO C=C(Cl)CN1CC[C@H]1CN(C)C(=O)CCn1cc[nH+]c1 ZINC001396994684 978569400 /nfs/dbraw/zinc/56/94/00/978569400.db2.gz VPCOOKBTYHBEIR-ZDUSSCGKSA-N 1 2 296.802 1.558 20 30 CDEDLO C[N@H+](Cc1cc(-c2nn[nH]n2)cs1)CC(C)(C)C#N ZINC001604801001 1163331322 /nfs/dbraw/zinc/33/13/22/1163331322.db2.gz HESFQTKDWNOUJY-UHFFFAOYSA-N 1 2 276.369 1.910 20 30 CDEDLO C[N@@H+](Cc1cc(-c2nn[nH]n2)cs1)CC(C)(C)C#N ZINC001604801001 1163331329 /nfs/dbraw/zinc/33/13/29/1163331329.db2.gz HESFQTKDWNOUJY-UHFFFAOYSA-N 1 2 276.369 1.910 20 30 CDEDLO CN1CC[N@H+](CCCC#N)C[C@@H]1c1nc(C2CC2)no1 ZINC000585789749 342456346 /nfs/dbraw/zinc/45/63/46/342456346.db2.gz LETWQAVSSVBOCL-GFCCVEGCSA-N 1 2 275.356 1.539 20 30 CDEDLO CN1CC[N@@H+](CCCC#N)C[C@@H]1c1nc(C2CC2)no1 ZINC000585789749 342456347 /nfs/dbraw/zinc/45/63/47/342456347.db2.gz LETWQAVSSVBOCL-GFCCVEGCSA-N 1 2 275.356 1.539 20 30 CDEDLO CC(C)(CO)[NH+]1CCN(C(=O)c2ccc(C#N)s2)CC1 ZINC000611516127 346807146 /nfs/dbraw/zinc/80/71/46/346807146.db2.gz UXNGSWUKMZZMHH-UHFFFAOYSA-N 1 2 293.392 1.148 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(Oc2ncccc2C)CC1 ZINC000589264434 342502536 /nfs/dbraw/zinc/50/25/36/342502536.db2.gz QNEIFMYFKBGASD-CQSZACIVSA-N 1 2 290.363 1.961 20 30 CDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000590377767 342540895 /nfs/dbraw/zinc/54/08/95/342540895.db2.gz WCQOOGZPNJBXQD-NSHDSACASA-N 1 2 296.330 1.634 20 30 CDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000590377767 342540896 /nfs/dbraw/zinc/54/08/96/342540896.db2.gz WCQOOGZPNJBXQD-NSHDSACASA-N 1 2 296.330 1.634 20 30 CDEDLO N#CCCC[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000045915038 342048586 /nfs/dbraw/zinc/04/85/86/342048586.db2.gz QEWXNMCEZVBANP-UHFFFAOYSA-N 1 2 275.327 1.887 20 30 CDEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CCO1 ZINC000045752428 342042009 /nfs/dbraw/zinc/04/20/09/342042009.db2.gz JKHWXCSTWFCNPJ-GUTXKFCHSA-N 1 2 281.400 1.540 20 30 CDEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CCO1 ZINC000045752428 342042010 /nfs/dbraw/zinc/04/20/10/342042010.db2.gz JKHWXCSTWFCNPJ-GUTXKFCHSA-N 1 2 281.400 1.540 20 30 CDEDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)C[C@H](C)C#N ZINC000198419139 342057722 /nfs/dbraw/zinc/05/77/22/342057722.db2.gz PHORSSMZZUNJBN-GFCCVEGCSA-N 1 2 277.343 1.923 20 30 CDEDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)C[C@H](C)C#N ZINC000198419139 342057723 /nfs/dbraw/zinc/05/77/23/342057723.db2.gz PHORSSMZZUNJBN-GFCCVEGCSA-N 1 2 277.343 1.923 20 30 CDEDLO Cc1cccc2nc(C[N@@H+]3CC[C@](O)(CC#N)C3)cn21 ZINC000592146125 342673458 /nfs/dbraw/zinc/67/34/58/342673458.db2.gz DPWCOILZKNILAC-OAHLLOKOSA-N 1 2 270.336 1.493 20 30 CDEDLO Cc1cccc2nc(C[N@H+]3CC[C@](O)(CC#N)C3)cn21 ZINC000592146125 342673459 /nfs/dbraw/zinc/67/34/59/342673459.db2.gz DPWCOILZKNILAC-OAHLLOKOSA-N 1 2 270.336 1.493 20 30 CDEDLO N#Cc1nc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])[nH]c1C#N ZINC000592259160 342683474 /nfs/dbraw/zinc/68/34/74/342683474.db2.gz GMZHZFXFEDFRHH-HMKSTLMESA-N 1 2 298.350 1.245 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000592136351 342672643 /nfs/dbraw/zinc/67/26/43/342672643.db2.gz IDDPBEOROIVJRF-KBPBESRZSA-N 1 2 261.321 1.867 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000592136351 342672645 /nfs/dbraw/zinc/67/26/45/342672645.db2.gz IDDPBEOROIVJRF-KBPBESRZSA-N 1 2 261.321 1.867 20 30 CDEDLO C=CCOC[C@@H]([NH2+]C1CCC(F)(F)CC1)C(=O)OC ZINC000592510635 342699990 /nfs/dbraw/zinc/69/99/90/342699990.db2.gz NEVHQXQIPBBSHA-LLVKDONJSA-N 1 2 277.311 1.898 20 30 CDEDLO Cc1cc(F)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1F ZINC000593154437 342774065 /nfs/dbraw/zinc/77/40/65/342774065.db2.gz ONOKLKDJQLQVEH-CQSZACIVSA-N 1 2 281.306 1.847 20 30 CDEDLO Cc1noc(C(F)F)c1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593154446 342774216 /nfs/dbraw/zinc/77/42/16/342774216.db2.gz RTCVZZJVILFJJT-GFCCVEGCSA-N 1 2 286.282 1.494 20 30 CDEDLO CC(C)(C)CNC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000599308853 344002749 /nfs/dbraw/zinc/00/27/49/344002749.db2.gz YGWSDXXMBSNQOC-UHFFFAOYSA-N 1 2 251.374 1.774 20 30 CDEDLO CC(C)(C)CNC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000599308853 344002750 /nfs/dbraw/zinc/00/27/50/344002750.db2.gz YGWSDXXMBSNQOC-UHFFFAOYSA-N 1 2 251.374 1.774 20 30 CDEDLO CC[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000593391267 342794016 /nfs/dbraw/zinc/79/40/16/342794016.db2.gz REZSAHFBYUMSBZ-ZDUSSCGKSA-N 1 2 277.393 1.942 20 30 CDEDLO CC[C@@H](C#N)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000593397400 342795057 /nfs/dbraw/zinc/79/50/57/342795057.db2.gz NQYLKFQKWKTEGL-LBPRGKRZSA-N 1 2 288.351 1.084 20 30 CDEDLO CC[C@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)[C@H](C)CO1 ZINC000593666721 342820640 /nfs/dbraw/zinc/82/06/40/342820640.db2.gz QIUFBRIEJIHSTL-RISCZKNCSA-N 1 2 285.351 1.600 20 30 CDEDLO CC[C@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)[C@H](C)CO1 ZINC000593666721 342820641 /nfs/dbraw/zinc/82/06/41/342820641.db2.gz QIUFBRIEJIHSTL-RISCZKNCSA-N 1 2 285.351 1.600 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000593521456 342806356 /nfs/dbraw/zinc/80/63/56/342806356.db2.gz IBKGSHXFNDSPLU-UPJWGTAASA-N 1 2 260.341 1.842 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](CC(=O)N1CC(C#N)C1)C(F)(F)F ZINC000594365008 342896363 /nfs/dbraw/zinc/89/63/63/342896363.db2.gz QEMCQQFEMXSRQS-SECBINFHSA-N 1 2 286.257 1.438 20 30 CDEDLO CC[N@H+](CC1(CC#N)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000395707856 342276934 /nfs/dbraw/zinc/27/69/34/342276934.db2.gz OSHFXPJGQJDRCU-LLVKDONJSA-N 1 2 256.371 1.189 20 30 CDEDLO CC[N@@H+](CC1(CC#N)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000395707856 342276935 /nfs/dbraw/zinc/27/69/35/342276935.db2.gz OSHFXPJGQJDRCU-LLVKDONJSA-N 1 2 256.371 1.189 20 30 CDEDLO CCOC(=O)[C@H](CC(C)C)[NH+]1CCN(CCC#N)CC1 ZINC000611794051 346881996 /nfs/dbraw/zinc/88/19/96/346881996.db2.gz PTZNHZFHBIIWHH-AWEZNQCLSA-N 1 2 281.400 1.495 20 30 CDEDLO CC#CCN(CC[NH+]1CCOCC1)c1ccccc1F ZINC000625940560 342280810 /nfs/dbraw/zinc/28/08/10/342280810.db2.gz IKBPJEYCWHBSBB-UHFFFAOYSA-N 1 2 276.355 1.988 20 30 CDEDLO CC[C@@]1(C)C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000347083877 529532520 /nfs/dbraw/zinc/53/25/20/529532520.db2.gz ZRDUYSLZEYTISK-JSGCOSHPSA-N 1 2 279.384 1.438 20 30 CDEDLO CC[C@@]1(C)C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000347083877 529532521 /nfs/dbraw/zinc/53/25/21/529532521.db2.gz ZRDUYSLZEYTISK-JSGCOSHPSA-N 1 2 279.384 1.438 20 30 CDEDLO CC[N@H+](CCO)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000303039593 349754813 /nfs/dbraw/zinc/75/48/13/349754813.db2.gz LTMCEEJZHPISLL-UHFFFAOYSA-N 1 2 284.363 1.867 20 30 CDEDLO CC[N@@H+](CCO)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000303039593 349754818 /nfs/dbraw/zinc/75/48/18/349754818.db2.gz LTMCEEJZHPISLL-UHFFFAOYSA-N 1 2 284.363 1.867 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)CCc1nnn(C(C)(C)C)n1 ZINC000595343359 343043364 /nfs/dbraw/zinc/04/33/64/343043364.db2.gz HBZKDRUWOCCVEB-SNVBAGLBSA-N 1 2 250.350 1.205 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)CCc1nnn(C(C)(C)C)n1 ZINC000595343359 343043367 /nfs/dbraw/zinc/04/33/67/343043367.db2.gz HBZKDRUWOCCVEB-SNVBAGLBSA-N 1 2 250.350 1.205 20 30 CDEDLO C[N@H+](CC(C)(C)C#N)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000595500045 343078073 /nfs/dbraw/zinc/07/80/73/343078073.db2.gz HSLKYSZTQAPJKP-YNEHKIRRSA-N 1 2 263.385 1.915 20 30 CDEDLO C[N@@H+](CC(C)(C)C#N)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000595500045 343078075 /nfs/dbraw/zinc/07/80/75/343078075.db2.gz HSLKYSZTQAPJKP-YNEHKIRRSA-N 1 2 263.385 1.915 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595609562 343108595 /nfs/dbraw/zinc/10/85/95/343108595.db2.gz MGVIFANQGQGEHE-ZDUSSCGKSA-N 1 2 289.383 1.601 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595609562 343108597 /nfs/dbraw/zinc/10/85/97/343108597.db2.gz MGVIFANQGQGEHE-ZDUSSCGKSA-N 1 2 289.383 1.601 20 30 CDEDLO C[C@@H]1CCN(c2c(C#N)cnn2C)C[C@@H]1n1cc[nH+]c1 ZINC000596158138 343255261 /nfs/dbraw/zinc/25/52/61/343255261.db2.gz RGVNVBDJABRAQR-YPMHNXCESA-N 1 2 270.340 1.576 20 30 CDEDLO Cc1cc(NC[C@H](CO)Cc2cccnc2)c(C#N)c[nH+]1 ZINC000596265459 343279730 /nfs/dbraw/zinc/27/97/30/343279730.db2.gz MNPXTWDYDMDIEH-CQSZACIVSA-N 1 2 282.347 1.342 20 30 CDEDLO Cc1ccc(C#N)c(NCC[N@H+]2C[C@H](C)OC[C@H]2C)n1 ZINC000596431610 343319659 /nfs/dbraw/zinc/31/96/59/343319659.db2.gz PQHFSYPISIPWDQ-OLZOCXBDSA-N 1 2 274.368 1.783 20 30 CDEDLO Cc1ccc(C#N)c(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)n1 ZINC000596431610 343319661 /nfs/dbraw/zinc/31/96/61/343319661.db2.gz PQHFSYPISIPWDQ-OLZOCXBDSA-N 1 2 274.368 1.783 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@@H](C)CO1 ZINC000596637322 343363117 /nfs/dbraw/zinc/36/31/17/343363117.db2.gz TWGBMYLJJCFTHW-RFQIPJPRSA-N 1 2 294.399 1.087 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@@H](C)CO1 ZINC000596637322 343363120 /nfs/dbraw/zinc/36/31/20/343363120.db2.gz TWGBMYLJJCFTHW-RFQIPJPRSA-N 1 2 294.399 1.087 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccccc1CC#N ZINC000600998736 342447802 /nfs/dbraw/zinc/44/78/02/342447802.db2.gz PQNFPVRFGBNTKV-LBPRGKRZSA-N 1 2 268.320 1.768 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3ncccn3)CC2)o1 ZINC000158812143 136396437 /nfs/dbraw/zinc/39/64/37/136396437.db2.gz OFKKNKBHBXRNJV-UHFFFAOYSA-N 1 2 269.308 1.263 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CCC(C)(C)C2)C1 ZINC000329042379 529788110 /nfs/dbraw/zinc/78/81/10/529788110.db2.gz DUXXJSYWPMFTHV-NWDGAFQWSA-N 1 2 269.389 1.399 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CCC(C)(C)C2)C1 ZINC000329042379 529788112 /nfs/dbraw/zinc/78/81/12/529788112.db2.gz DUXXJSYWPMFTHV-NWDGAFQWSA-N 1 2 269.389 1.399 20 30 CDEDLO N#Cc1ccc2c(c1)CCN2C(=O)CCc1[nH]cc[nH+]1 ZINC000597773700 343631175 /nfs/dbraw/zinc/63/11/75/343631175.db2.gz UBOISPSTYYYLTE-UHFFFAOYSA-N 1 2 266.304 1.803 20 30 CDEDLO Cc1c[nH]c(CN2CCN(c3ccc(C#N)cn3)CC2)[nH+]1 ZINC000600111465 349835528 /nfs/dbraw/zinc/83/55/28/349835528.db2.gz IQPLRPGCCQXMDS-UHFFFAOYSA-N 1 2 282.351 1.307 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(OCCCOC)CC1 ZINC000619718727 349868826 /nfs/dbraw/zinc/86/88/26/349868826.db2.gz YTRXWICTQXDRKQ-CYBMUJFWSA-N 1 2 271.357 1.232 20 30 CDEDLO C=C[C@H](C(=O)OC)N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000619720690 349870756 /nfs/dbraw/zinc/87/07/56/349870756.db2.gz PRKFERBMKISYFK-OAHLLOKOSA-N 1 2 297.358 1.958 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCOCC2(CCCC2)C1 ZINC000619721620 349871490 /nfs/dbraw/zinc/87/14/90/349871490.db2.gz CFPQXJOURODUFT-LBPRGKRZSA-N 1 2 253.342 1.607 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCOCC2(CCCC2)C1 ZINC000619721620 349871495 /nfs/dbraw/zinc/87/14/95/349871495.db2.gz CFPQXJOURODUFT-LBPRGKRZSA-N 1 2 253.342 1.607 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(C(=O)N(C)C(C)C)CC1 ZINC000619716297 349867016 /nfs/dbraw/zinc/86/70/16/349867016.db2.gz IBYXVTUDLQKWOV-CYBMUJFWSA-N 1 2 282.384 1.293 20 30 CDEDLO Cc1ccnc([C@@H](C)Nc2cc(C)[nH+]cc2C#N)n1 ZINC000598641344 343854595 /nfs/dbraw/zinc/85/45/95/343854595.db2.gz RRAICAUKTLKRBZ-LLVKDONJSA-N 1 2 253.309 1.955 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000598589608 343836484 /nfs/dbraw/zinc/83/64/84/343836484.db2.gz UEYBPIQSJGGVJC-NEPJUHHUSA-N 1 2 295.408 1.817 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000598589608 343836487 /nfs/dbraw/zinc/83/64/87/343836487.db2.gz UEYBPIQSJGGVJC-NEPJUHHUSA-N 1 2 295.408 1.817 20 30 CDEDLO Cn1cc([C@@H]2C[N@H+](C[C@H](O)CC(C)(C)C#N)CCO2)cn1 ZINC000598592916 343839196 /nfs/dbraw/zinc/83/91/96/343839196.db2.gz NCTJOBSOJVELEP-KGLIPLIRSA-N 1 2 292.383 1.094 20 30 CDEDLO Cn1cc([C@@H]2C[N@@H+](C[C@H](O)CC(C)(C)C#N)CCO2)cn1 ZINC000598592916 343839198 /nfs/dbraw/zinc/83/91/98/343839198.db2.gz NCTJOBSOJVELEP-KGLIPLIRSA-N 1 2 292.383 1.094 20 30 CDEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc(C#N)[nH]c1C ZINC000598737900 343892008 /nfs/dbraw/zinc/89/20/08/343892008.db2.gz BHCMBOMICDIVOG-SNVBAGLBSA-N 1 2 271.324 1.902 20 30 CDEDLO Cc1cc(F)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(F)c1 ZINC000598836241 343914460 /nfs/dbraw/zinc/91/44/60/343914460.db2.gz DBMBFRVNFUPVAO-CQSZACIVSA-N 1 2 281.306 1.847 20 30 CDEDLO N#Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)ccc1F ZINC000598945390 343925414 /nfs/dbraw/zinc/92/54/14/343925414.db2.gz BDYAARZWSAUBNF-GFCCVEGCSA-N 1 2 284.294 1.639 20 30 CDEDLO N#Cc1ccccc1OCC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598946130 343925888 /nfs/dbraw/zinc/92/58/88/343925888.db2.gz CMACSGKSFQDZPK-CYBMUJFWSA-N 1 2 296.330 1.265 20 30 CDEDLO CCC(C#N)(CC)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598950041 343933255 /nfs/dbraw/zinc/93/32/55/343933255.db2.gz OGEDWFXHVQKQST-LLVKDONJSA-N 1 2 260.341 1.644 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598950578 343933864 /nfs/dbraw/zinc/93/38/64/343933864.db2.gz SAHJKPXWWJAQRT-GFCCVEGCSA-N 1 2 281.319 1.203 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598950551 343933960 /nfs/dbraw/zinc/93/39/60/343933960.db2.gz RMAMGIOSVVXJAO-JTQLQIEISA-N 1 2 269.308 1.136 20 30 CDEDLO C=C(C)COCCNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635689214 362357834 /nfs/dbraw/zinc/35/78/34/362357834.db2.gz JTBGRLNBCVCGED-UHFFFAOYSA-N 1 2 273.336 1.965 20 30 CDEDLO Cc1c[nH]c(CN2CCN(Cc3ccccc3)[C@H](C#N)C2)[nH+]1 ZINC000600107214 344173127 /nfs/dbraw/zinc/17/31/27/344173127.db2.gz SDSRKRVEKWKKOX-MRXNPFEDSA-N 1 2 295.390 1.928 20 30 CDEDLO Cc1cn2ccc(C(=O)N3CC[C@](F)(C#N)C3)cc2[nH+]1 ZINC000602143396 344349430 /nfs/dbraw/zinc/34/94/30/344349430.db2.gz SORVGXJXVIKXKX-AWEZNQCLSA-N 1 2 272.283 1.721 20 30 CDEDLO CCC[C@H](OCC)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000602331233 344401542 /nfs/dbraw/zinc/40/15/42/344401542.db2.gz BEYRAUUTXYYWBF-AAEUAGOBSA-N 1 2 255.362 1.152 20 30 CDEDLO Cn1ccc2ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc21 ZINC000602331506 344402389 /nfs/dbraw/zinc/40/23/89/344402389.db2.gz DSRNJJRIVKRFFC-MRXNPFEDSA-N 1 2 284.363 1.752 20 30 CDEDLO COc1ccc(C[NH+]2CCN(CCC#N)CC2)c(F)c1 ZINC000602748770 344562667 /nfs/dbraw/zinc/56/26/67/344562667.db2.gz RUGAYSFHRKWDCB-UHFFFAOYSA-N 1 2 277.343 1.866 20 30 CDEDLO N#CCC1(C[N@H+]2CCNC(=O)[C@H]2c2ccccc2)CC1 ZINC000602792815 344585400 /nfs/dbraw/zinc/58/54/00/344585400.db2.gz CRZZOPWPHINIAI-CQSZACIVSA-N 1 2 269.348 1.853 20 30 CDEDLO N#CCC1(C[N@@H+]2CCNC(=O)[C@H]2c2ccccc2)CC1 ZINC000602792815 344585401 /nfs/dbraw/zinc/58/54/01/344585401.db2.gz CRZZOPWPHINIAI-CQSZACIVSA-N 1 2 269.348 1.853 20 30 CDEDLO CCn1cnnc1[C@H]1C[N@H+](CC2(CC#N)CC2)CCO1 ZINC000602815299 344606049 /nfs/dbraw/zinc/60/60/49/344606049.db2.gz OTPDYGLEVCFPGG-GFCCVEGCSA-N 1 2 275.356 1.365 20 30 CDEDLO CCn1cnnc1[C@H]1C[N@@H+](CC2(CC#N)CC2)CCO1 ZINC000602815299 344606051 /nfs/dbraw/zinc/60/60/51/344606051.db2.gz OTPDYGLEVCFPGG-GFCCVEGCSA-N 1 2 275.356 1.365 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000602867531 344639347 /nfs/dbraw/zinc/63/93/47/344639347.db2.gz DPYCATOETOMYKZ-QWRGUYRKSA-N 1 2 256.309 1.777 20 30 CDEDLO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)CC#N)c1 ZINC000602867837 344639542 /nfs/dbraw/zinc/63/95/42/344639542.db2.gz FASUWKNKRFUXOA-NSHDSACASA-N 1 2 288.351 1.267 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000602870877 344641150 /nfs/dbraw/zinc/64/11/50/344641150.db2.gz YBDRPYDZNBSUCL-GFCCVEGCSA-N 1 2 296.374 1.944 20 30 CDEDLO CN(C)c1ccc(Cn2cc(CCC#N)nn2)c[nH+]1 ZINC000603255852 344754131 /nfs/dbraw/zinc/75/41/31/344754131.db2.gz IRUJMWDGMUXHFB-UHFFFAOYSA-N 1 2 256.313 1.244 20 30 CDEDLO O=C(N=C1NCC(=O)N1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000068713548 344786285 /nfs/dbraw/zinc/78/62/85/344786285.db2.gz YISMTAOVJAOYII-GFCCVEGCSA-N 1 2 286.335 1.093 20 30 CDEDLO O=C(N=C1NCC(=O)N1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000068713548 344786288 /nfs/dbraw/zinc/78/62/88/344786288.db2.gz YISMTAOVJAOYII-GFCCVEGCSA-N 1 2 286.335 1.093 20 30 CDEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609538509 345595416 /nfs/dbraw/zinc/59/54/16/345595416.db2.gz LMECNAPSDHPYTP-KGLIPLIRSA-N 1 2 280.416 1.067 20 30 CDEDLO CCNC(=O)C[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000087833265 345837074 /nfs/dbraw/zinc/83/70/74/345837074.db2.gz MARLLEASUKLKHD-UHFFFAOYSA-N 1 2 261.325 1.135 20 30 CDEDLO CCNC(=O)C[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000087833265 345837077 /nfs/dbraw/zinc/83/70/77/345837077.db2.gz MARLLEASUKLKHD-UHFFFAOYSA-N 1 2 261.325 1.135 20 30 CDEDLO C=CC[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000617780167 345968451 /nfs/dbraw/zinc/96/84/51/345968451.db2.gz PQAMKGYNDJVJRW-CQSZACIVSA-N 1 2 280.412 1.912 20 30 CDEDLO N#Cc1ccnc(N2CCC[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000610754849 346393150 /nfs/dbraw/zinc/39/31/50/346393150.db2.gz ZIIJTFWPSUKJNT-LBPRGKRZSA-N 1 2 298.306 1.899 20 30 CDEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@H](C)[C@H](O)C2)c1C#N ZINC000611349405 346756686 /nfs/dbraw/zinc/75/66/86/346756686.db2.gz JDMZBFVXTHKCMP-YVEFUNNKSA-N 1 2 296.374 1.865 20 30 CDEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@H](C)[C@H](O)C2)c1C#N ZINC000611349405 346756689 /nfs/dbraw/zinc/75/66/89/346756689.db2.gz JDMZBFVXTHKCMP-YVEFUNNKSA-N 1 2 296.374 1.865 20 30 CDEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccnn2C)CC1 ZINC000611432278 346782792 /nfs/dbraw/zinc/78/27/92/346782792.db2.gz RLJKZNFYINDZIX-AWEZNQCLSA-N 1 2 261.373 1.086 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1cc(C)nn1C(C)(C)C ZINC000490779160 347577622 /nfs/dbraw/zinc/57/76/22/347577622.db2.gz ROGFEOAIZLLDJE-UHFFFAOYSA-N 1 2 276.384 1.840 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1cc(C)nn1C(C)(C)C ZINC000490779160 347577624 /nfs/dbraw/zinc/57/76/24/347577624.db2.gz ROGFEOAIZLLDJE-UHFFFAOYSA-N 1 2 276.384 1.840 20 30 CDEDLO N#Cc1ccc(CCC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000055176601 347839215 /nfs/dbraw/zinc/83/92/15/347839215.db2.gz YSRUOFGAFFXCDU-UHFFFAOYSA-N 1 2 282.347 1.894 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2C[C@H](CO)OC[C@H]2C)c1 ZINC000355160764 365955842 /nfs/dbraw/zinc/95/58/42/365955842.db2.gz IWSGGPKUQZRIIY-CZUORRHYSA-N 1 2 277.364 1.833 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)c1 ZINC000355160764 365955849 /nfs/dbraw/zinc/95/58/49/365955849.db2.gz IWSGGPKUQZRIIY-CZUORRHYSA-N 1 2 277.364 1.833 20 30 CDEDLO C[C@]1(C#N)CCCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000614491631 348126646 /nfs/dbraw/zinc/12/66/46/348126646.db2.gz JFPYVDWHDJXILX-SWLSCSKDSA-N 1 2 287.367 1.533 20 30 CDEDLO C=C[C@@H](C(=O)OC)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000619718826 348189389 /nfs/dbraw/zinc/18/93/89/348189389.db2.gz AEJXFAALBXSRLK-ZDUSSCGKSA-N 1 2 275.352 1.240 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000636005908 362864311 /nfs/dbraw/zinc/86/43/11/362864311.db2.gz RDJBISRRUQYNIT-ZDUSSCGKSA-N 1 2 273.336 1.700 20 30 CDEDLO Cc1cccnc1SC[C@@H](O)C[N@H+](C)CCC#N ZINC000414121508 362926351 /nfs/dbraw/zinc/92/63/51/362926351.db2.gz HEQVJWKFFHUUOK-LBPRGKRZSA-N 1 2 265.382 1.689 20 30 CDEDLO Cc1cccnc1SC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414121508 362926357 /nfs/dbraw/zinc/92/63/57/362926357.db2.gz HEQVJWKFFHUUOK-LBPRGKRZSA-N 1 2 265.382 1.689 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NCc1cccs1 ZINC000064796381 348947100 /nfs/dbraw/zinc/94/71/00/348947100.db2.gz QCNKXXHZMACKHN-MNOVXSKESA-N 1 2 265.382 1.844 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NCc1cccs1 ZINC000064796381 348947101 /nfs/dbraw/zinc/94/71/01/348947101.db2.gz QCNKXXHZMACKHN-MNOVXSKESA-N 1 2 265.382 1.844 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)n1 ZINC000602474647 350113393 /nfs/dbraw/zinc/11/33/93/350113393.db2.gz MGAGLIAPLFHPBB-NWDGAFQWSA-N 1 2 285.269 1.841 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)n1 ZINC000602474647 350113397 /nfs/dbraw/zinc/11/33/97/350113397.db2.gz MGAGLIAPLFHPBB-NWDGAFQWSA-N 1 2 285.269 1.841 20 30 CDEDLO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2C#N)[C@@H](C)C(=O)N1C ZINC000602849083 350155090 /nfs/dbraw/zinc/15/50/90/350155090.db2.gz PHPQCRGDGSNREV-UPJWGTAASA-N 1 2 271.364 1.998 20 30 CDEDLO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2C#N)[C@@H](C)C(=O)N1C ZINC000602849083 350155093 /nfs/dbraw/zinc/15/50/93/350155093.db2.gz PHPQCRGDGSNREV-UPJWGTAASA-N 1 2 271.364 1.998 20 30 CDEDLO COC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104963323 186036168 /nfs/dbraw/zinc/03/61/68/186036168.db2.gz GCKNQJGPCLMQHR-UHFFFAOYSA-N 1 2 274.320 1.574 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620606427 350280340 /nfs/dbraw/zinc/28/03/40/350280340.db2.gz SNHOKVOQEWDTIC-BXUZGUMPSA-N 1 2 265.357 1.826 20 30 CDEDLO CCc1nc(C#N)cc(N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000308178948 350434891 /nfs/dbraw/zinc/43/48/91/350434891.db2.gz MCVQBMCFCKTJQY-UHFFFAOYSA-N 1 2 294.362 1.632 20 30 CDEDLO C#CCN(C)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000291236934 197964133 /nfs/dbraw/zinc/96/41/33/197964133.db2.gz LALJYMPUHGVYAD-UHFFFAOYSA-N 1 2 256.309 1.417 20 30 CDEDLO C[N@H+](CCS(C)(=O)=O)Cc1ccc(OCC#N)cc1 ZINC000264546730 363092612 /nfs/dbraw/zinc/09/26/12/363092612.db2.gz JUIQCTPHSPJJPE-UHFFFAOYSA-N 1 2 282.365 1.065 20 30 CDEDLO C[N@@H+](CCS(C)(=O)=O)Cc1ccc(OCC#N)cc1 ZINC000264546730 363092617 /nfs/dbraw/zinc/09/26/17/363092617.db2.gz JUIQCTPHSPJJPE-UHFFFAOYSA-N 1 2 282.365 1.065 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCC(C)C)cc1OC ZINC000085260626 260372073 /nfs/dbraw/zinc/37/20/73/260372073.db2.gz HHIMMKRZQUBDRG-UHFFFAOYSA-N 1 2 252.314 1.997 20 30 CDEDLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccccc1C#N ZINC000156923611 188287970 /nfs/dbraw/zinc/28/79/70/188287970.db2.gz WAUGOFOJCVWMSG-IUODEOHRSA-N 1 2 260.337 1.530 20 30 CDEDLO C[C@@H](O)C[C@@H]1COCC[N@H+]1Cc1ccccc1C#N ZINC000156923611 188287972 /nfs/dbraw/zinc/28/79/72/188287972.db2.gz WAUGOFOJCVWMSG-IUODEOHRSA-N 1 2 260.337 1.530 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@H](O)C(C)(C)C2)c(C#N)c1C ZINC000279659452 363249232 /nfs/dbraw/zinc/24/92/32/363249232.db2.gz CKHAEUIKLITKLU-LBPRGKRZSA-N 1 2 291.351 1.409 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2C[C@H](O)C(C)(C)C2)c(C#N)c1C ZINC000279659452 363249239 /nfs/dbraw/zinc/24/92/39/363249239.db2.gz CKHAEUIKLITKLU-LBPRGKRZSA-N 1 2 291.351 1.409 20 30 CDEDLO C[NH+](C)Cc1csc(NC(=O)c2ccc(C#N)[nH]2)n1 ZINC000457308702 366125853 /nfs/dbraw/zinc/12/58/53/366125853.db2.gz HMTJSPZSQXWFNJ-UHFFFAOYSA-N 1 2 275.337 1.657 20 30 CDEDLO N#CCOc1cccc(NC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000493124500 366194123 /nfs/dbraw/zinc/19/41/23/366194123.db2.gz OLVJYTGECKWSCL-SNAWJCMRSA-N 1 2 268.276 1.964 20 30 CDEDLO N#Cc1ccc(C[NH2+][C@]2(CO)CCOc3ccccc32)nc1 ZINC000590604772 358488792 /nfs/dbraw/zinc/48/87/92/358488792.db2.gz JDZIDQNTIJZWGX-KRWDZBQOSA-N 1 2 295.342 1.713 20 30 CDEDLO N#Cc1ccc(CN2CC[C@@H]([NH+]3CCOCC3)C2)c(F)c1 ZINC000062980017 283142607 /nfs/dbraw/zinc/14/26/07/283142607.db2.gz XTILDSSLLVFIBH-OAHLLOKOSA-N 1 2 289.354 1.604 20 30 CDEDLO CC1(C)C[NH+](CC(=O)NCC(=O)c2ccc(C#N)cc2)C1 ZINC000584063531 366258592 /nfs/dbraw/zinc/25/85/92/366258592.db2.gz UJAGSQMDSZAMGP-UHFFFAOYSA-N 1 2 285.347 1.199 20 30 CDEDLO C=C(Br)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493321270 366275517 /nfs/dbraw/zinc/27/55/17/366275517.db2.gz NEWAVBFOIRIAMF-NSCUHMNNSA-N 1 2 256.103 1.448 20 30 CDEDLO O=C(NCC1CCSCC1)N1CCn2cc[nH+]c2C1 ZINC000329433090 538568754 /nfs/dbraw/zinc/56/87/54/538568754.db2.gz LBDVGDDJWIWXON-UHFFFAOYSA-N 1 2 280.397 1.756 20 30 CDEDLO C[C@@H](c1nncn1C)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344062410 356876634 /nfs/dbraw/zinc/87/66/34/356876634.db2.gz BMIJHSPDCWENRN-ZDUSSCGKSA-N 1 2 299.378 1.896 20 30 CDEDLO C[C@@H](c1nncn1C)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344062410 356876636 /nfs/dbraw/zinc/87/66/36/356876636.db2.gz BMIJHSPDCWENRN-ZDUSSCGKSA-N 1 2 299.378 1.896 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NCc1cccc(OC)c1 ZINC000299412251 357056695 /nfs/dbraw/zinc/05/66/95/357056695.db2.gz WBQMIZHLYBQOCR-AWEZNQCLSA-N 1 2 284.359 1.268 20 30 CDEDLO C#CCO[C@H](C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000294629275 199113897 /nfs/dbraw/zinc/11/38/97/199113897.db2.gz ZKRQARRQQBLTIL-GFCCVEGCSA-N 1 2 271.320 1.031 20 30 CDEDLO COCC[N@H+](CCC#N)Cc1ccc(C#N)c(OC)c1 ZINC000234611387 358171209 /nfs/dbraw/zinc/17/12/09/358171209.db2.gz HZKHRBJGJDXOFM-UHFFFAOYSA-N 1 2 273.336 1.929 20 30 CDEDLO COCC[N@@H+](CCC#N)Cc1ccc(C#N)c(OC)c1 ZINC000234611387 358171213 /nfs/dbraw/zinc/17/12/13/358171213.db2.gz HZKHRBJGJDXOFM-UHFFFAOYSA-N 1 2 273.336 1.929 20 30 CDEDLO C#CCNC(=O)CC[NH2+][C@H](C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000294733876 199157912 /nfs/dbraw/zinc/15/79/12/199157912.db2.gz WKPPPJXYTFFGQB-JSGCOSHPSA-N 1 2 296.411 1.472 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C)cs2)CC1 ZINC000294724404 199152780 /nfs/dbraw/zinc/15/27/80/199152780.db2.gz ZSFUNUUULZIRBU-UHFFFAOYSA-N 1 2 262.378 1.838 20 30 CDEDLO CCS(=O)(=O)C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000193247340 358277524 /nfs/dbraw/zinc/27/75/24/358277524.db2.gz PTCMZDBGNFGKJM-UHFFFAOYSA-N 1 2 292.404 1.957 20 30 CDEDLO C#CCSCC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000294800106 199189090 /nfs/dbraw/zinc/18/90/90/199189090.db2.gz OXWGOUCDMUWMTI-LLVKDONJSA-N 1 2 278.406 1.912 20 30 CDEDLO C=CCN(Cc1ccccc1)C(=O)[C@H]1COCC[N@H+]1CC ZINC000636644507 358565714 /nfs/dbraw/zinc/56/57/14/358565714.db2.gz YAIZYVYPWFFDDM-MRXNPFEDSA-N 1 2 288.391 1.922 20 30 CDEDLO C=CCN(Cc1ccccc1)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000636644507 358565717 /nfs/dbraw/zinc/56/57/17/358565717.db2.gz YAIZYVYPWFFDDM-MRXNPFEDSA-N 1 2 288.391 1.922 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000494868716 366512917 /nfs/dbraw/zinc/51/29/17/366512917.db2.gz AHHAHICHBBRKNB-KGLIPLIRSA-N 1 2 281.400 1.457 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000494868716 366512925 /nfs/dbraw/zinc/51/29/25/366512925.db2.gz AHHAHICHBBRKNB-KGLIPLIRSA-N 1 2 281.400 1.457 20 30 CDEDLO COCC[C@H]1COCC[N@@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000291346894 358938200 /nfs/dbraw/zinc/93/82/00/358938200.db2.gz WQPPPWZEKJGVAL-HNNXBMFYSA-N 1 2 290.363 1.804 20 30 CDEDLO COCC[C@H]1COCC[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000291346894 358938206 /nfs/dbraw/zinc/93/82/06/358938206.db2.gz WQPPPWZEKJGVAL-HNNXBMFYSA-N 1 2 290.363 1.804 20 30 CDEDLO C[C@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(CC#N)CC#N ZINC000346718104 359090192 /nfs/dbraw/zinc/09/01/92/359090192.db2.gz HVPZCYYDOJFGPX-QWHCGFSZSA-N 1 2 283.335 1.030 20 30 CDEDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccncc1F ZINC000338363652 359118777 /nfs/dbraw/zinc/11/87/77/359118777.db2.gz AQPAJRPUEAQNCQ-BMIGLBTASA-N 1 2 298.321 1.970 20 30 CDEDLO C=CCCC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000263641650 359303923 /nfs/dbraw/zinc/30/39/23/359303923.db2.gz CJDOCHVOHQQUHO-UHFFFAOYSA-N 1 2 275.352 1.501 20 30 CDEDLO C=C1CC[NH+](CC(=O)N[C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000264448747 359310023 /nfs/dbraw/zinc/31/00/23/359310023.db2.gz HQVIFBDRRMWVIF-AWEZNQCLSA-N 1 2 293.411 1.156 20 30 CDEDLO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1nncn1C ZINC000275170920 359530672 /nfs/dbraw/zinc/53/06/72/359530672.db2.gz LEXVFYCOMIZFOH-NSHDSACASA-N 1 2 258.300 1.657 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)C(=O)c2ccccc2)CC1 ZINC000279493653 359587502 /nfs/dbraw/zinc/58/75/02/359587502.db2.gz JISIURDELCSFFT-UHFFFAOYSA-N 1 2 270.332 1.037 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000296903937 200030265 /nfs/dbraw/zinc/03/02/65/200030265.db2.gz VXHMHOSYIMTIMW-VIFPVBQESA-N 1 2 277.162 1.668 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000296903937 200030267 /nfs/dbraw/zinc/03/02/67/200030267.db2.gz VXHMHOSYIMTIMW-VIFPVBQESA-N 1 2 277.162 1.668 20 30 CDEDLO Cc1noc([C@@H](C)[NH2+]CC(=O)NC2(C#N)CCCCC2)n1 ZINC000348093291 359828420 /nfs/dbraw/zinc/82/84/20/359828420.db2.gz RVTWGMLMZFQTLV-SNVBAGLBSA-N 1 2 291.355 1.371 20 30 CDEDLO Cn1cc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)cn1 ZINC000267335888 359946953 /nfs/dbraw/zinc/94/69/53/359946953.db2.gz CLJVMWZXINFVGY-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(C)cn2)C1=O ZINC000337199175 360021521 /nfs/dbraw/zinc/02/15/21/360021521.db2.gz APPQPVCWSYIQFH-AWEZNQCLSA-N 1 2 259.353 1.609 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(C)cn2)C1=O ZINC000337199175 360021526 /nfs/dbraw/zinc/02/15/26/360021526.db2.gz APPQPVCWSYIQFH-AWEZNQCLSA-N 1 2 259.353 1.609 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cccc(OCC)n2)C1=O ZINC000337223782 360036288 /nfs/dbraw/zinc/03/62/88/360036288.db2.gz MYOCFFFQODFFKU-AWEZNQCLSA-N 1 2 289.379 1.699 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cccc(OCC)n2)C1=O ZINC000337223782 360036292 /nfs/dbraw/zinc/03/62/92/360036292.db2.gz MYOCFFFQODFFKU-AWEZNQCLSA-N 1 2 289.379 1.699 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@H](C)O1 ZINC000066403935 360089807 /nfs/dbraw/zinc/08/98/07/360089807.db2.gz GUDORNFZMFIVAO-OKILXGFUSA-N 1 2 293.411 1.780 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@H](C)O1 ZINC000066403935 360089808 /nfs/dbraw/zinc/08/98/08/360089808.db2.gz GUDORNFZMFIVAO-OKILXGFUSA-N 1 2 293.411 1.780 20 30 CDEDLO COC(=O)c1cccc(C[N@H+](C)CC(C)(C)C#N)n1 ZINC000515550032 360513796 /nfs/dbraw/zinc/51/37/96/360513796.db2.gz GTJFAVAKCOVDHC-UHFFFAOYSA-N 1 2 261.325 1.850 20 30 CDEDLO COC(=O)c1cccc(C[N@@H+](C)CC(C)(C)C#N)n1 ZINC000515550032 360513799 /nfs/dbraw/zinc/51/37/99/360513799.db2.gz GTJFAVAKCOVDHC-UHFFFAOYSA-N 1 2 261.325 1.850 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000157663056 360944248 /nfs/dbraw/zinc/94/42/48/360944248.db2.gz NYJGWPLTUGCJHQ-AVGNSLFASA-N 1 2 267.373 1.152 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000157663056 360944253 /nfs/dbraw/zinc/94/42/53/360944253.db2.gz NYJGWPLTUGCJHQ-AVGNSLFASA-N 1 2 267.373 1.152 20 30 CDEDLO N#CCC1CC[NH+](CC(=O)Nc2nccs2)CC1 ZINC000260640925 360953372 /nfs/dbraw/zinc/95/33/72/360953372.db2.gz VINVIMOLAWFPFF-UHFFFAOYSA-N 1 2 264.354 1.707 20 30 CDEDLO C=CCCS(=O)(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000180249209 189246089 /nfs/dbraw/zinc/24/60/89/189246089.db2.gz FKORZFJIDOQEFJ-UHFFFAOYSA-N 1 2 279.365 1.638 20 30 CDEDLO CCN(c1cc[nH+]cc1)S(=O)(=O)CCCC#N ZINC000132352299 361225602 /nfs/dbraw/zinc/22/56/02/361225602.db2.gz CQWFCQHPQTTWDO-UHFFFAOYSA-N 1 2 253.327 1.541 20 30 CDEDLO C[C@@H](Cc1ccccc1F)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000566309991 370680769 /nfs/dbraw/zinc/68/07/69/370680769.db2.gz ZEUIYELTDVPGJO-LRDDRELGSA-N 1 2 291.370 1.964 20 30 CDEDLO CC[N@H+](CCC#N)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000154255617 361396701 /nfs/dbraw/zinc/39/67/01/361396701.db2.gz JNHKSKRNJIKALN-SNVBAGLBSA-N 1 2 277.290 1.775 20 30 CDEDLO CC[N@@H+](CCC#N)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000154255617 361396704 /nfs/dbraw/zinc/39/67/04/361396704.db2.gz JNHKSKRNJIKALN-SNVBAGLBSA-N 1 2 277.290 1.775 20 30 CDEDLO C[C@@H]1OCCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@H]1C ZINC000329544358 361541751 /nfs/dbraw/zinc/54/17/51/361541751.db2.gz FYFRKSPMRICTKP-GARJFASQSA-N 1 2 278.356 1.290 20 30 CDEDLO C[C@@H]1OCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)[C@H]1C ZINC000329544358 361541756 /nfs/dbraw/zinc/54/17/56/361541756.db2.gz FYFRKSPMRICTKP-GARJFASQSA-N 1 2 278.356 1.290 20 30 CDEDLO CO[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@H](C)C1 ZINC000329622976 361596284 /nfs/dbraw/zinc/59/62/84/361596284.db2.gz SAWRLXVUYGQFKP-IJLUTSLNSA-N 1 2 292.383 1.680 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000267744584 361606910 /nfs/dbraw/zinc/60/69/10/361606910.db2.gz ZUPLKSBBZRHIGF-UKRRQHHQSA-N 1 2 288.347 1.477 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CO)C1 ZINC000267744584 361606911 /nfs/dbraw/zinc/60/69/11/361606911.db2.gz ZUPLKSBBZRHIGF-UKRRQHHQSA-N 1 2 288.347 1.477 20 30 CDEDLO N#CCC1(C[N@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)CC1 ZINC000639588520 364181916 /nfs/dbraw/zinc/18/19/16/364181916.db2.gz IROMVQYZTHMXHR-CHWSQXEVSA-N 1 2 262.353 1.750 20 30 CDEDLO N#CCC1(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)CC1 ZINC000639588520 364181922 /nfs/dbraw/zinc/18/19/22/364181922.db2.gz IROMVQYZTHMXHR-CHWSQXEVSA-N 1 2 262.353 1.750 20 30 CDEDLO CCC[N@H+](CC(=O)NC)CC(=O)Nc1sccc1C#N ZINC000120149302 364795623 /nfs/dbraw/zinc/79/56/23/364795623.db2.gz XWBBAAOYRXQLOS-UHFFFAOYSA-N 1 2 294.380 1.016 20 30 CDEDLO CCC[N@@H+](CC(=O)NC)CC(=O)Nc1sccc1C#N ZINC000120149302 364795634 /nfs/dbraw/zinc/79/56/34/364795634.db2.gz XWBBAAOYRXQLOS-UHFFFAOYSA-N 1 2 294.380 1.016 20 30 CDEDLO C=CC[NH+]1CCC(NC(=O)c2cccc3[nH]nnc32)CC1 ZINC000187800161 364828550 /nfs/dbraw/zinc/82/85/50/364828550.db2.gz FNACCRYLXRUPSS-UHFFFAOYSA-N 1 2 285.351 1.338 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccn(C3CCCC3)n2)nn1 ZINC000641063378 364916271 /nfs/dbraw/zinc/91/62/71/364916271.db2.gz HGOAYVSHJMWRIE-UHFFFAOYSA-N 1 2 298.394 1.751 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCOCC(C)C)nn1 ZINC000641083750 365002047 /nfs/dbraw/zinc/00/20/47/365002047.db2.gz XCDGJWFDJRIHKB-UHFFFAOYSA-N 1 2 250.346 1.064 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000491372321 365176833 /nfs/dbraw/zinc/17/68/33/365176833.db2.gz ITVYJCAMDLMYEQ-LBPRGKRZSA-N 1 2 281.377 1.422 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000491372321 365176838 /nfs/dbraw/zinc/17/68/38/365176838.db2.gz ITVYJCAMDLMYEQ-LBPRGKRZSA-N 1 2 281.377 1.422 20 30 CDEDLO C[NH2+]Cc1noc(C2(c3ccc(C#N)cc3)CC2)n1 ZINC000414645229 241292942 /nfs/dbraw/zinc/29/29/42/241292942.db2.gz QDRHPCUKRQGKRT-UHFFFAOYSA-N 1 2 254.293 1.741 20 30 CDEDLO CCn1cc[nH+]c1CNc1nccc(C#N)c1Cl ZINC000385144151 368325724 /nfs/dbraw/zinc/32/57/24/368325724.db2.gz CBWCYUJZRWOKII-UHFFFAOYSA-N 1 2 261.716 1.857 20 30 CDEDLO Cc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)CCO)cc1F ZINC000136065539 260923305 /nfs/dbraw/zinc/92/33/05/260923305.db2.gz MHQYUUSJGSYOAQ-VIFPVBQESA-N 1 2 283.303 1.132 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CC1CCSCC1 ZINC000564216923 368411281 /nfs/dbraw/zinc/41/12/81/368411281.db2.gz ZIMOIVCULFKECL-ZDUSSCGKSA-N 1 2 269.414 1.480 20 30 CDEDLO C[C@@H](c1nc(N)nc(N(C)C)n1)[NH+]1CCC(CC#N)CC1 ZINC000541947991 368708418 /nfs/dbraw/zinc/70/84/18/368708418.db2.gz CXLNPOBLFSRGKK-JTQLQIEISA-N 1 2 289.387 1.037 20 30 CDEDLO C#Cc1ccccc1CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000290212479 369831078 /nfs/dbraw/zinc/83/10/78/369831078.db2.gz XEWWTBDOHVAKFF-UHFFFAOYSA-N 1 2 286.375 1.001 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1sccc1C#N ZINC000170862076 369951481 /nfs/dbraw/zinc/95/14/81/369951481.db2.gz SFLGVVDUKRSGNZ-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1sccc1C#N ZINC000170862076 369951487 /nfs/dbraw/zinc/95/14/87/369951487.db2.gz SFLGVVDUKRSGNZ-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO CC1(C#N)CN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000554464289 370223358 /nfs/dbraw/zinc/22/33/58/370223358.db2.gz JYOPZTIZQDOVLL-UHFFFAOYSA-N 1 2 296.334 1.704 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000564665981 370245547 /nfs/dbraw/zinc/24/55/47/370245547.db2.gz KVPMSWPZKFIIBZ-LBPRGKRZSA-N 1 2 292.364 1.009 20 30 CDEDLO C#CC[N@@H+](CCCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000157180380 371152283 /nfs/dbraw/zinc/15/22/83/371152283.db2.gz GLAGMTPCEWKSOL-LLVKDONJSA-N 1 2 297.342 1.841 20 30 CDEDLO C#CC[N@H+](CCCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000157180380 371152288 /nfs/dbraw/zinc/15/22/88/371152288.db2.gz GLAGMTPCEWKSOL-LLVKDONJSA-N 1 2 297.342 1.841 20 30 CDEDLO CSc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)o1 ZINC000567995931 371194545 /nfs/dbraw/zinc/19/45/45/371194545.db2.gz ZDZSXMPRPGUMNC-LBPRGKRZSA-N 1 2 267.354 1.575 20 30 CDEDLO N#CCC[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000568501971 371226492 /nfs/dbraw/zinc/22/64/92/371226492.db2.gz ALAGBHMYBFVZRZ-UHFFFAOYSA-N 1 2 261.325 1.643 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(F)cc2C)CC1 ZINC000165447257 371369905 /nfs/dbraw/zinc/36/99/05/371369905.db2.gz MQSIQARMZMJMRI-UHFFFAOYSA-N 1 2 290.338 1.290 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Nc1nc2ccccn2c1C#N ZINC000272899729 372338183 /nfs/dbraw/zinc/33/81/83/372338183.db2.gz LOXLELPLZHFZCG-GFCCVEGCSA-N 1 2 285.351 1.339 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc2c1CCC2 ZINC000579964614 372656163 /nfs/dbraw/zinc/65/61/63/372656163.db2.gz MQVJLJABKUDGDR-MRXNPFEDSA-N 1 2 271.364 1.749 20 30 CDEDLO COC[C@]1(C)CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000296726194 373822546 /nfs/dbraw/zinc/82/25/46/373822546.db2.gz NTMTWKNSEHYGBH-CQSZACIVSA-N 1 2 293.392 1.917 20 30 CDEDLO COC[C@]1(C)CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000296726194 373822558 /nfs/dbraw/zinc/82/25/58/373822558.db2.gz NTMTWKNSEHYGBH-CQSZACIVSA-N 1 2 293.392 1.917 20 30 CDEDLO COc1cc(C[NH2+][C@@H](C(N)=O)c2ccccc2)ccc1C#N ZINC000357283003 373903786 /nfs/dbraw/zinc/90/37/86/373903786.db2.gz LKAWXTYLZGBYTO-MRXNPFEDSA-N 1 2 295.342 1.883 20 30 CDEDLO CCONC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000298607596 373855864 /nfs/dbraw/zinc/85/58/64/373855864.db2.gz NWBOOUJAWQYDBZ-UHFFFAOYSA-N 1 2 288.351 1.337 20 30 CDEDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000360202667 374005467 /nfs/dbraw/zinc/00/54/67/374005467.db2.gz CSBSNRUCBSDYQL-GFCCVEGCSA-N 1 2 284.406 1.629 20 30 CDEDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000360202667 374005470 /nfs/dbraw/zinc/00/54/70/374005470.db2.gz CSBSNRUCBSDYQL-GFCCVEGCSA-N 1 2 284.406 1.629 20 30 CDEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc(C#N)o3)n2)C1 ZINC000350528922 374021761 /nfs/dbraw/zinc/02/17/61/374021761.db2.gz QXYOXMIZKTZXDT-GFCCVEGCSA-N 1 2 288.307 1.983 20 30 CDEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc(C#N)o3)n2)C1 ZINC000350528922 374021764 /nfs/dbraw/zinc/02/17/64/374021764.db2.gz QXYOXMIZKTZXDT-GFCCVEGCSA-N 1 2 288.307 1.983 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](CO)C2)c(C#N)c1C ZINC000051887410 374025649 /nfs/dbraw/zinc/02/56/49/374025649.db2.gz CBSPENCQJDYVKF-NSHDSACASA-N 1 2 277.324 1.021 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](CO)C2)c(C#N)c1C ZINC000051887410 374025656 /nfs/dbraw/zinc/02/56/56/374025656.db2.gz CBSPENCQJDYVKF-NSHDSACASA-N 1 2 277.324 1.021 20 30 CDEDLO CN1CC[N@H+](C)[C@@H](CNc2cc(Cl)ccc2C#N)C1 ZINC000225346417 374243956 /nfs/dbraw/zinc/24/39/56/374243956.db2.gz LJKUHKVSSJHVHL-ZDUSSCGKSA-N 1 2 278.787 1.869 20 30 CDEDLO CN1CC[N@@H+](C)[C@@H](CNc2cc(Cl)ccc2C#N)C1 ZINC000225346417 374243962 /nfs/dbraw/zinc/24/39/62/374243962.db2.gz LJKUHKVSSJHVHL-ZDUSSCGKSA-N 1 2 278.787 1.869 20 30 CDEDLO Cn1cnnc1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000352855652 374363100 /nfs/dbraw/zinc/36/31/00/374363100.db2.gz UNOUKTZCXCPWEP-UHFFFAOYSA-N 1 2 295.268 1.995 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)C[C@@H]1CCOC1 ZINC000329794049 541941378 /nfs/dbraw/zinc/94/13/78/541941378.db2.gz VVNJGOXXEXBCTE-LBPRGKRZSA-N 1 2 270.373 1.480 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)C[C@@H]1CCOC1 ZINC000329794049 541941384 /nfs/dbraw/zinc/94/13/84/541941384.db2.gz VVNJGOXXEXBCTE-LBPRGKRZSA-N 1 2 270.373 1.480 20 30 CDEDLO CCOC[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000081520583 374514540 /nfs/dbraw/zinc/51/45/40/374514540.db2.gz YFPOTSSMBLBHPE-LLVKDONJSA-N 1 2 293.392 1.917 20 30 CDEDLO CCOC[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000081520583 374514548 /nfs/dbraw/zinc/51/45/48/374514548.db2.gz YFPOTSSMBLBHPE-LLVKDONJSA-N 1 2 293.392 1.917 20 30 CDEDLO N#Cc1ccnc(N2CC[NH+](CCOCC(F)F)CC2)c1 ZINC000276330487 374728910 /nfs/dbraw/zinc/72/89/10/374728910.db2.gz GPBUNLKXIYQETR-UHFFFAOYSA-N 1 2 296.321 1.357 20 30 CDEDLO C[C@H]1CC[N@H+](CCOc2ccc(C#N)cc2)CC[S@]1=O ZINC000277186429 374775654 /nfs/dbraw/zinc/77/56/54/374775654.db2.gz LQPATVNEAUABMW-RNODOKPDSA-N 1 2 292.404 1.780 20 30 CDEDLO C[C@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)CC[S@]1=O ZINC000277186429 374775664 /nfs/dbraw/zinc/77/56/64/374775664.db2.gz LQPATVNEAUABMW-RNODOKPDSA-N 1 2 292.404 1.780 20 30 CDEDLO Cc1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)nc1 ZINC000332404409 375030586 /nfs/dbraw/zinc/03/05/86/375030586.db2.gz WKODKFXDXAUFCG-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO Cc1cc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)n(C)n1 ZINC000046518363 375142071 /nfs/dbraw/zinc/14/20/71/375142071.db2.gz AMHIHAFPXIKYER-UHFFFAOYSA-N 1 2 297.362 1.671 20 30 CDEDLO Cc1cc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)n(C)n1 ZINC000046518363 375142076 /nfs/dbraw/zinc/14/20/76/375142076.db2.gz AMHIHAFPXIKYER-UHFFFAOYSA-N 1 2 297.362 1.671 20 30 CDEDLO COC[C@@]1(C(=O)OC)CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425274190 246748278 /nfs/dbraw/zinc/74/82/78/246748278.db2.gz ZCLPQZJXZVWXQT-OAHLLOKOSA-N 1 2 289.335 1.278 20 30 CDEDLO Cc1ccc(C#N)c(N(C)CCCn2cc[nH+]c2)n1 ZINC000161921198 375217549 /nfs/dbraw/zinc/21/75/49/375217549.db2.gz BHPUANLEPGSRFZ-UHFFFAOYSA-N 1 2 255.325 1.985 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000049001061 375390743 /nfs/dbraw/zinc/39/07/43/375390743.db2.gz KXWXGRNUZSZUHW-JTQLQIEISA-N 1 2 290.754 1.939 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000049001061 375390745 /nfs/dbraw/zinc/39/07/45/375390745.db2.gz KXWXGRNUZSZUHW-JTQLQIEISA-N 1 2 290.754 1.939 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)C1CC(O)C1 ZINC000353489339 375561867 /nfs/dbraw/zinc/56/18/67/375561867.db2.gz IQHYTXBLINLULQ-RUXDESIVSA-N 1 2 274.320 1.227 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)C1CC(O)C1 ZINC000353489339 375561869 /nfs/dbraw/zinc/56/18/69/375561869.db2.gz IQHYTXBLINLULQ-RUXDESIVSA-N 1 2 274.320 1.227 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCO[C@@H](C)C1 ZINC000217570859 375673109 /nfs/dbraw/zinc/67/31/09/375673109.db2.gz MUNDEUIPRZOSAP-QWHCGFSZSA-N 1 2 287.363 1.996 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCO[C@@H](C)C1 ZINC000217570859 375673117 /nfs/dbraw/zinc/67/31/17/375673117.db2.gz MUNDEUIPRZOSAP-QWHCGFSZSA-N 1 2 287.363 1.996 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)c1ncc(C#N)cc1Cl ZINC000428033606 247231225 /nfs/dbraw/zinc/23/12/25/247231225.db2.gz QPBQTGBCXBTYKU-UHFFFAOYSA-N 1 2 275.699 1.270 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)COC2CCCC2)C1 ZINC000328758940 375948017 /nfs/dbraw/zinc/94/80/17/375948017.db2.gz WBKMHQKLKFFPOM-GFCCVEGCSA-N 1 2 256.346 1.233 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)COC2CCCC2)C1 ZINC000328758940 375948025 /nfs/dbraw/zinc/94/80/25/375948025.db2.gz WBKMHQKLKFFPOM-GFCCVEGCSA-N 1 2 256.346 1.233 20 30 CDEDLO O=C(NCCOCC1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328894272 376004790 /nfs/dbraw/zinc/00/47/90/376004790.db2.gz ARGMGBNXZSWAEW-GFCCVEGCSA-N 1 2 263.341 1.829 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[C@]1(C)CO ZINC000328864316 375991199 /nfs/dbraw/zinc/99/11/99/375991199.db2.gz WARHPOOSKAKOMT-TZMCWYRMSA-N 1 2 265.357 1.860 20 30 CDEDLO CO[C@H](CC(C)C)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000419213715 376102980 /nfs/dbraw/zinc/10/29/80/376102980.db2.gz JMRYEAINFQQOMJ-MRXNPFEDSA-N 1 2 297.443 1.595 20 30 CDEDLO CO[C@H](CC(C)C)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000419213715 376102985 /nfs/dbraw/zinc/10/29/85/376102985.db2.gz JMRYEAINFQQOMJ-MRXNPFEDSA-N 1 2 297.443 1.595 20 30 CDEDLO CO[C@H](CC(C)C)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000419213715 376102989 /nfs/dbraw/zinc/10/29/89/376102989.db2.gz JMRYEAINFQQOMJ-MRXNPFEDSA-N 1 2 297.443 1.595 20 30 CDEDLO Cc1cc(CNS(=O)(=O)N(C)[C@@H](C)CC#N)cc(C)[nH+]1 ZINC000420696235 376381976 /nfs/dbraw/zinc/38/19/76/376381976.db2.gz GREJKUOTMSTNMB-LBPRGKRZSA-N 1 2 296.396 1.267 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000075832489 377131266 /nfs/dbraw/zinc/13/12/66/377131266.db2.gz MEDZKSRMROHMIE-UHFFFAOYSA-N 1 2 293.411 1.784 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCOC2(CCCCC2)C1 ZINC000075832489 377131271 /nfs/dbraw/zinc/13/12/71/377131271.db2.gz MEDZKSRMROHMIE-UHFFFAOYSA-N 1 2 293.411 1.784 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000248575408 377318741 /nfs/dbraw/zinc/31/87/41/377318741.db2.gz UTWDRVKGBWNABG-HNNXBMFYSA-N 1 2 294.420 1.881 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000248575408 377318750 /nfs/dbraw/zinc/31/87/50/377318750.db2.gz UTWDRVKGBWNABG-HNNXBMFYSA-N 1 2 294.420 1.881 20 30 CDEDLO Cc1cccn2cc(CNc3cnc(C#N)cn3)[nH+]c12 ZINC000128797618 377321578 /nfs/dbraw/zinc/32/15/78/377321578.db2.gz TVDOEGKJYGDKKQ-UHFFFAOYSA-N 1 2 264.292 1.917 20 30 CDEDLO N#Cc1ccncc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000270005570 377835751 /nfs/dbraw/zinc/83/57/51/377835751.db2.gz ZQVSOOTXVBWVKT-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280351738 377950639 /nfs/dbraw/zinc/95/06/39/377950639.db2.gz JAQYWMCGGZQPLC-GDBMZVCRSA-N 1 2 294.395 1.067 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280351738 377950642 /nfs/dbraw/zinc/95/06/42/377950642.db2.gz JAQYWMCGGZQPLC-GDBMZVCRSA-N 1 2 294.395 1.067 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181534505 377964241 /nfs/dbraw/zinc/96/42/41/377964241.db2.gz JLZFHGITNYQIIW-GDBMZVCRSA-N 1 2 286.375 1.068 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181534505 377964245 /nfs/dbraw/zinc/96/42/45/377964245.db2.gz JLZFHGITNYQIIW-GDBMZVCRSA-N 1 2 286.375 1.068 20 30 CDEDLO C#CCN(C)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000282382900 378036842 /nfs/dbraw/zinc/03/68/42/378036842.db2.gz AZEDXWFQGGISHB-UHFFFAOYSA-N 1 2 288.351 1.324 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2CC=C)CC1 ZINC000282301206 378044104 /nfs/dbraw/zinc/04/41/04/378044104.db2.gz OSXZILKNFJJJFX-CQSZACIVSA-N 1 2 287.411 1.733 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000282770841 378070992 /nfs/dbraw/zinc/07/09/92/378070992.db2.gz LSZPXIPJVDTEOC-UUSVCDRXSA-N 1 2 261.325 1.520 20 30 CDEDLO CC#CCNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000135659271 378231578 /nfs/dbraw/zinc/23/15/78/378231578.db2.gz LBWHRMCMQVYCMV-ZDUSSCGKSA-N 1 2 295.333 1.890 20 30 CDEDLO CC#CCNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000136046112 378314054 /nfs/dbraw/zinc/31/40/54/378314054.db2.gz ALQYYMFXGJWDQB-CQSZACIVSA-N 1 2 286.379 1.493 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc([C@@H](C)O)s2)C1=O ZINC000289736211 378347222 /nfs/dbraw/zinc/34/72/22/378347222.db2.gz PEKHYWKOBLEZMN-PWSUYJOCSA-N 1 2 295.408 1.415 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc([C@@H](C)O)s2)C1=O ZINC000289736211 378347229 /nfs/dbraw/zinc/34/72/29/378347229.db2.gz PEKHYWKOBLEZMN-PWSUYJOCSA-N 1 2 295.408 1.415 20 30 CDEDLO C#Cc1ccc(C[N@@H+](C)Cc2nc(CCOC)no2)cc1 ZINC000289954269 378353465 /nfs/dbraw/zinc/35/34/65/378353465.db2.gz ICUOEFVDDFXFNW-UHFFFAOYSA-N 1 2 285.347 1.872 20 30 CDEDLO C#Cc1ccc(C[N@H+](C)Cc2nc(CCOC)no2)cc1 ZINC000289954269 378353473 /nfs/dbraw/zinc/35/34/73/378353473.db2.gz ICUOEFVDDFXFNW-UHFFFAOYSA-N 1 2 285.347 1.872 20 30 CDEDLO C#C[C@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000186051075 378812770 /nfs/dbraw/zinc/81/27/70/378812770.db2.gz DIOVMHXESXBQKN-KBPBESRZSA-N 1 2 286.379 1.492 20 30 CDEDLO C=C(CC)C[N@@H+]1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000343922716 379020544 /nfs/dbraw/zinc/02/05/44/379020544.db2.gz KDDZHWVABAVZBF-HNNXBMFYSA-N 1 2 258.365 1.996 20 30 CDEDLO C=C(CC)C[N@H+]1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000343922716 379020552 /nfs/dbraw/zinc/02/05/52/379020552.db2.gz KDDZHWVABAVZBF-HNNXBMFYSA-N 1 2 258.365 1.996 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000278621306 194072375 /nfs/dbraw/zinc/07/23/75/194072375.db2.gz MLBAVKGJKIQIOR-MRXNPFEDSA-N 1 2 289.379 1.625 20 30 CDEDLO CC1(C)C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC[C@@H]1O ZINC000446066114 250260361 /nfs/dbraw/zinc/26/03/61/250260361.db2.gz ICFFDBXNOXQKCP-KBPBESRZSA-N 1 2 287.363 1.177 20 30 CDEDLO CC1(C)C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC[C@@H]1O ZINC000446066114 250260364 /nfs/dbraw/zinc/26/03/64/250260364.db2.gz ICFFDBXNOXQKCP-KBPBESRZSA-N 1 2 287.363 1.177 20 30 CDEDLO C#CCn1ccc(CN(CC)c2[nH+]cnc3c2cnn3C)n1 ZINC000278890422 194198692 /nfs/dbraw/zinc/19/86/92/194198692.db2.gz PSDUCWPSXPBVHN-UHFFFAOYSA-N 1 2 295.350 1.220 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC000042422116 379591564 /nfs/dbraw/zinc/59/15/64/379591564.db2.gz QTBGJGMIDCURDG-AWEZNQCLSA-N 1 2 257.337 1.659 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC000042422116 379591574 /nfs/dbraw/zinc/59/15/74/379591574.db2.gz QTBGJGMIDCURDG-AWEZNQCLSA-N 1 2 257.337 1.659 20 30 CDEDLO CC(C)[C@@H](NC(=O)c1cc(C#N)ccn1)c1[nH]cc[nH+]1 ZINC000288191496 197023926 /nfs/dbraw/zinc/02/39/26/197023926.db2.gz RYLUUIDDCSBNLI-GFCCVEGCSA-N 1 2 269.308 1.803 20 30 CDEDLO C#CC(C)(C)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000279195538 194327657 /nfs/dbraw/zinc/32/76/57/194327657.db2.gz FLRLKLFEKSAHKZ-UHFFFAOYSA-N 1 2 261.350 1.902 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000279195538 194327658 /nfs/dbraw/zinc/32/76/58/194327658.db2.gz FLRLKLFEKSAHKZ-UHFFFAOYSA-N 1 2 261.350 1.902 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000281059459 195087845 /nfs/dbraw/zinc/08/78/45/195087845.db2.gz RKORXOYVZGOOJI-VXGBXAGGSA-N 1 2 250.346 1.926 20 30 CDEDLO N#Cc1ccc(OCCNC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000493154325 253384325 /nfs/dbraw/zinc/38/43/25/253384325.db2.gz MBVINRFMXATZJT-ZZXKWVIFSA-N 1 2 282.303 1.490 20 30 CDEDLO C[C@@H](NC(=O)N1CCn2cc[nH+]c2C1)C1CCOCC1 ZINC000329996813 533102991 /nfs/dbraw/zinc/10/29/91/533102991.db2.gz PMNMDHGQYFDZEM-LLVKDONJSA-N 1 2 278.356 1.428 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2nc(C)c(C)s2)C1=O ZINC000281469276 195254299 /nfs/dbraw/zinc/25/42/99/195254299.db2.gz VVPMWQTXFGUJNB-GFCCVEGCSA-N 1 2 279.409 1.979 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2nc(C)c(C)s2)C1=O ZINC000281469276 195254302 /nfs/dbraw/zinc/25/43/02/195254302.db2.gz VVPMWQTXFGUJNB-GFCCVEGCSA-N 1 2 279.409 1.979 20 30 CDEDLO C#C[C@H](NC(=O)NCCCNc1cccc[nH+]1)C(C)C ZINC000281468160 195252390 /nfs/dbraw/zinc/25/23/90/195252390.db2.gz TZDMPSLMOHDGEK-ZDUSSCGKSA-N 1 2 274.368 1.841 20 30 CDEDLO CCN1CC[N@@H+]([C@H](C)c2ccc(C#N)cc2)CC1=O ZINC000335673678 285336196 /nfs/dbraw/zinc/33/61/96/285336196.db2.gz SSXCCGFBAHXQBD-GFCCVEGCSA-N 1 2 257.337 1.783 20 30 CDEDLO CCN1CC[N@H+]([C@H](C)c2ccc(C#N)cc2)CC1=O ZINC000335673678 285336198 /nfs/dbraw/zinc/33/61/98/285336198.db2.gz SSXCCGFBAHXQBD-GFCCVEGCSA-N 1 2 257.337 1.783 20 30 CDEDLO CN(C)c1ccc(CNC(=O)NCC2(C#N)CC2)c[nH+]1 ZINC000575068693 335061569 /nfs/dbraw/zinc/06/15/69/335061569.db2.gz HNFJNIJWJCAVPX-UHFFFAOYSA-N 1 2 273.340 1.251 20 30 CDEDLO C=CCOCCCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000153173621 390833884 /nfs/dbraw/zinc/83/38/84/390833884.db2.gz CKJTWAWCVQXOFK-CQSZACIVSA-N 1 2 289.379 1.759 20 30 CDEDLO COC[C@@](C)(C#N)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000137159950 390941870 /nfs/dbraw/zinc/94/18/70/390941870.db2.gz NLAFEGFPNKGSML-OAHLLOKOSA-N 1 2 284.319 1.531 20 30 CDEDLO NC(CCO)=[NH+]OCc1nnc(-c2ccccc2)s1 ZINC000121329689 390883926 /nfs/dbraw/zinc/88/39/26/390883926.db2.gz NVHPVGIBJIOKQU-UHFFFAOYSA-N 1 2 278.337 1.376 20 30 CDEDLO Cc1c(Br)cccc1CO[NH+]=C(N)CCO ZINC000121350667 390883979 /nfs/dbraw/zinc/88/39/79/390883979.db2.gz XLJSVWOLXHZKBZ-UHFFFAOYSA-N 1 2 287.157 1.929 20 30 CDEDLO C[C@@H](O[NH+]=C(N)CCO)c1nc(-c2ccccc2)no1 ZINC000121386327 390885251 /nfs/dbraw/zinc/88/52/51/390885251.db2.gz KOAURHJSQIWJSU-SECBINFHSA-N 1 2 276.296 1.469 20 30 CDEDLO C[C@@H]1CCN(C(=O)C2(C#N)CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000124119408 390913258 /nfs/dbraw/zinc/91/32/58/390913258.db2.gz XLVRWDCNQBETAO-OLZOCXBDSA-N 1 2 272.352 1.986 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)c(F)c1 ZINC000168535544 390933227 /nfs/dbraw/zinc/93/32/27/390933227.db2.gz PCRRNPQXGAUSEI-ZDUSSCGKSA-N 1 2 273.311 1.504 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)c(F)c1 ZINC000168535544 390933228 /nfs/dbraw/zinc/93/32/28/390933228.db2.gz PCRRNPQXGAUSEI-ZDUSSCGKSA-N 1 2 273.311 1.504 20 30 CDEDLO C[C@@H]1OCC[C@@]1(C)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000329575853 391018649 /nfs/dbraw/zinc/01/86/49/391018649.db2.gz SCFRXOXBBKEXNA-SWLSCSKDSA-N 1 2 299.415 1.168 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000348929496 391119940 /nfs/dbraw/zinc/11/99/40/391119940.db2.gz VDZOBEGFUXEWIX-RGCMKSIDSA-N 1 2 281.400 1.539 20 30 CDEDLO COC(=O)c1ccc(C[NH+]2CCC(F)(C#N)CC2)nc1 ZINC000352469818 391149439 /nfs/dbraw/zinc/14/94/39/391149439.db2.gz ZLYWAFSTJJNRFT-UHFFFAOYSA-N 1 2 277.299 1.696 20 30 CDEDLO Cc1ccc(NC(=O)N2CCO[C@@H](C#N)C2)c(C)[nH+]1 ZINC000176784958 391158359 /nfs/dbraw/zinc/15/83/59/391158359.db2.gz LLJLFGZDRKECSO-NSHDSACASA-N 1 2 260.297 1.455 20 30 CDEDLO N#CCSCC(=O)NCCCNc1cccc[nH+]1 ZINC000265603131 391158676 /nfs/dbraw/zinc/15/86/76/391158676.db2.gz MMIOPFVXKQGNHV-UHFFFAOYSA-N 1 2 264.354 1.257 20 30 CDEDLO C=CCOc1ccc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000338675241 391219764 /nfs/dbraw/zinc/21/97/64/391219764.db2.gz NCXFKHNVVATQLB-OAHLLOKOSA-N 1 2 290.363 1.312 20 30 CDEDLO C=CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000338675241 391219765 /nfs/dbraw/zinc/21/97/65/391219765.db2.gz NCXFKHNVVATQLB-OAHLLOKOSA-N 1 2 290.363 1.312 20 30 CDEDLO C=CCCCS(=O)(=O)N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000339069439 391249483 /nfs/dbraw/zinc/24/94/83/391249483.db2.gz VSJPORWTJIPELF-RYUDHWBXSA-N 1 2 260.403 1.307 20 30 CDEDLO CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccncc1 ZINC000267950093 391207015 /nfs/dbraw/zinc/20/70/15/391207015.db2.gz WDZFTRSTLLMEDN-INIZCTEOSA-N 1 2 288.395 1.958 20 30 CDEDLO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccncc1 ZINC000267950093 391207018 /nfs/dbraw/zinc/20/70/18/391207018.db2.gz WDZFTRSTLLMEDN-INIZCTEOSA-N 1 2 288.395 1.958 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000375952621 391208383 /nfs/dbraw/zinc/20/83/83/391208383.db2.gz BYVHGVMXQOMDPM-LAPQFRIASA-N 1 2 298.452 1.276 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000375952621 391208386 /nfs/dbraw/zinc/20/83/86/391208386.db2.gz BYVHGVMXQOMDPM-LAPQFRIASA-N 1 2 298.452 1.276 20 30 CDEDLO N#C[C@H]1CSCCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000271686792 391299728 /nfs/dbraw/zinc/29/97/28/391299728.db2.gz DDWZYDGGYWIEPT-NSHDSACASA-N 1 2 272.333 1.415 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N(C)CCCOc1ccccc1 ZINC000339760894 391350827 /nfs/dbraw/zinc/35/08/27/391350827.db2.gz WYNKOATUQAZTDD-UHFFFAOYSA-N 1 2 288.391 1.869 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N(C)CCCOc1ccccc1 ZINC000339760894 391350832 /nfs/dbraw/zinc/35/08/32/391350832.db2.gz WYNKOATUQAZTDD-UHFFFAOYSA-N 1 2 288.391 1.869 20 30 CDEDLO CC(C)(C)[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)CCO1 ZINC000347195797 391389433 /nfs/dbraw/zinc/38/94/33/391389433.db2.gz HPBLSLQNUALWGM-LBPRGKRZSA-N 1 2 279.384 1.296 20 30 CDEDLO CC(C)(C)[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)CCO1 ZINC000347195797 391389439 /nfs/dbraw/zinc/38/94/39/391389439.db2.gz HPBLSLQNUALWGM-LBPRGKRZSA-N 1 2 279.384 1.296 20 30 CDEDLO COc1cc(C[NH2+]Cc2nnnn2CC2CC2)ccc1C#N ZINC000440631959 391428626 /nfs/dbraw/zinc/42/86/26/391428626.db2.gz BDOYMPBSCRTESB-UHFFFAOYSA-N 1 2 298.350 1.253 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCCN(CC(F)F)CC2)nc1 ZINC000567010069 391451734 /nfs/dbraw/zinc/45/17/34/391451734.db2.gz HBMHYJNAFRJWSR-UHFFFAOYSA-N 1 2 280.322 1.726 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCCN(CC(F)F)CC2)nc1 ZINC000567010069 391451738 /nfs/dbraw/zinc/45/17/38/391451738.db2.gz HBMHYJNAFRJWSR-UHFFFAOYSA-N 1 2 280.322 1.726 20 30 CDEDLO C=C[C@H](C)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000330407486 391417569 /nfs/dbraw/zinc/41/75/69/391417569.db2.gz GUGPOUPPPILNCD-RYUDHWBXSA-N 1 2 260.341 1.738 20 30 CDEDLO N#Cc1ccsc1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000052050546 391537480 /nfs/dbraw/zinc/53/74/80/391537480.db2.gz UMGPWNIXUOLWSP-LBPRGKRZSA-N 1 2 275.377 1.930 20 30 CDEDLO N#Cc1ccsc1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000052050546 391537484 /nfs/dbraw/zinc/53/74/84/391537484.db2.gz UMGPWNIXUOLWSP-LBPRGKRZSA-N 1 2 275.377 1.930 20 30 CDEDLO CC[NH+]1CCN(C(=O)[C@H](C)SCCC#N)CC1 ZINC000413014497 391666822 /nfs/dbraw/zinc/66/68/22/391666822.db2.gz QOKXQKFYWZRFDN-NSHDSACASA-N 1 2 255.387 1.186 20 30 CDEDLO C=CCOC[C@@H]([NH2+]C1CCSCC1)C(=O)OC ZINC000361114200 391683693 /nfs/dbraw/zinc/68/36/93/391683693.db2.gz RLMQHEAKUFMWSV-LLVKDONJSA-N 1 2 259.371 1.216 20 30 CDEDLO CN(Cc1c[nH+]cn1C)S(=O)(=O)c1cccc(C#N)c1 ZINC000439547589 391744763 /nfs/dbraw/zinc/74/47/63/391744763.db2.gz KBLNQVKAIMZTJH-UHFFFAOYSA-N 1 2 290.348 1.112 20 30 CDEDLO N#CCC1(O)CN(Cc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000189541347 391769278 /nfs/dbraw/zinc/76/92/78/391769278.db2.gz CIWUQRZDKSHILL-UHFFFAOYSA-N 1 2 276.727 1.448 20 30 CDEDLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329898747 391795801 /nfs/dbraw/zinc/79/58/01/391795801.db2.gz FBAIUANOKGZRET-UHIISALHSA-N 1 2 268.357 1.374 20 30 CDEDLO C[C@H](C(=O)NC1CC1)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329898747 391795802 /nfs/dbraw/zinc/79/58/02/391795802.db2.gz FBAIUANOKGZRET-UHIISALHSA-N 1 2 268.357 1.374 20 30 CDEDLO C=C(Cl)CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000372232246 391843333 /nfs/dbraw/zinc/84/33/33/391843333.db2.gz HAYCSDOTSZXMIA-LLVKDONJSA-N 1 2 280.759 1.712 20 30 CDEDLO CC[N@H+](CCS(C)(=O)=O)[C@H](C)c1ccc(C#N)cc1 ZINC000065465549 392022839 /nfs/dbraw/zinc/02/28/39/392022839.db2.gz PNACMVWYPITANN-GFCCVEGCSA-N 1 2 280.393 1.986 20 30 CDEDLO CC[N@@H+](CCS(C)(=O)=O)[C@H](C)c1ccc(C#N)cc1 ZINC000065465549 392022851 /nfs/dbraw/zinc/02/28/51/392022851.db2.gz PNACMVWYPITANN-GFCCVEGCSA-N 1 2 280.393 1.986 20 30 CDEDLO CCc1cccc(OC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000342804335 392045685 /nfs/dbraw/zinc/04/56/85/392045685.db2.gz QEHMCCORKZWNSJ-CQSZACIVSA-N 1 2 262.353 1.834 20 30 CDEDLO CCc1cccc(OC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000342804335 392045688 /nfs/dbraw/zinc/04/56/88/392045688.db2.gz QEHMCCORKZWNSJ-CQSZACIVSA-N 1 2 262.353 1.834 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(C#N)s1 ZINC000488309773 392262017 /nfs/dbraw/zinc/26/20/17/392262017.db2.gz FYYYNTLMKUNQCQ-UHFFFAOYSA-N 1 2 274.349 1.979 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](C)O ZINC000245805537 131089307 /nfs/dbraw/zinc/08/93/07/131089307.db2.gz PWKQONUPMVGIIB-ZWNOBZJWSA-N 1 2 262.309 1.085 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](C)O ZINC000245805537 131089308 /nfs/dbraw/zinc/08/93/08/131089308.db2.gz PWKQONUPMVGIIB-ZWNOBZJWSA-N 1 2 262.309 1.085 20 30 CDEDLO COCCOC1C[NH+](Cc2ccc(C#N)c(C)c2)C1 ZINC000459456167 392439540 /nfs/dbraw/zinc/43/95/40/392439540.db2.gz GMMWKCWHAYEIFR-UHFFFAOYSA-N 1 2 260.337 1.714 20 30 CDEDLO Cc1noc(C2C[NH+](Cc3ccc(C#N)s3)C2)n1 ZINC000459609632 392491130 /nfs/dbraw/zinc/49/11/30/392491130.db2.gz QPWYLHYAMVXNQM-UHFFFAOYSA-N 1 2 260.322 1.911 20 30 CDEDLO C=CCCC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000171430599 335065715 /nfs/dbraw/zinc/06/57/15/335065715.db2.gz WEBMQXYYVGHFMX-UHFFFAOYSA-N 1 2 275.352 1.501 20 30 CDEDLO CC#CC[C@@H](CO)NC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000649182816 392953760 /nfs/dbraw/zinc/95/37/60/392953760.db2.gz FQPYNCRPUJLHQU-AWEZNQCLSA-N 1 2 299.374 1.625 20 30 CDEDLO Cc1cc(NC[C@H](C)C(=O)OC(C)C)c(C#N)c[nH+]1 ZINC000425227880 392997180 /nfs/dbraw/zinc/99/71/80/392997180.db2.gz JQUJGTYLEZFARM-JTQLQIEISA-N 1 2 261.325 1.683 20 30 CDEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(OC)c(C#N)c2)CCO1 ZINC000528721907 393029820 /nfs/dbraw/zinc/02/98/20/393029820.db2.gz GCIHECRIJOYGLY-HNNXBMFYSA-N 1 2 290.363 1.804 20 30 CDEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(OC)c(C#N)c2)CCO1 ZINC000528721907 393029828 /nfs/dbraw/zinc/02/98/28/393029828.db2.gz GCIHECRIJOYGLY-HNNXBMFYSA-N 1 2 290.363 1.804 20 30 CDEDLO C[C@]1(CO)C[N@@H+](Cc2ccc(F)cc2C#N)C[C@@]1(C)CO ZINC000528748280 393029955 /nfs/dbraw/zinc/02/99/55/393029955.db2.gz NWMMUENTNOLFGH-IYBDPMFKSA-N 1 2 292.354 1.510 20 30 CDEDLO C[C@]1(CO)C[N@H+](Cc2ccc(F)cc2C#N)C[C@@]1(C)CO ZINC000528748280 393029963 /nfs/dbraw/zinc/02/99/63/393029963.db2.gz NWMMUENTNOLFGH-IYBDPMFKSA-N 1 2 292.354 1.510 20 30 CDEDLO CC[C@H]([NH2+]Cc1nnn(C)n1)c1ccc(C#N)cc1 ZINC000494372279 393232037 /nfs/dbraw/zinc/23/20/37/393232037.db2.gz BDEJTJGVFWPSSO-LBPRGKRZSA-N 1 2 256.313 1.323 20 30 CDEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)c(C)c2)CCO1 ZINC000487888441 393296652 /nfs/dbraw/zinc/29/66/52/393296652.db2.gz LZJOBWIVOIXVPF-CQSZACIVSA-N 1 2 274.320 1.241 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)c(C)c2)CCO1 ZINC000487888441 393296653 /nfs/dbraw/zinc/29/66/53/393296653.db2.gz LZJOBWIVOIXVPF-CQSZACIVSA-N 1 2 274.320 1.241 20 30 CDEDLO CN(C)c1noc(C[NH2+]Cc2ccc(C#N)s2)n1 ZINC000191900164 140139139 /nfs/dbraw/zinc/13/91/39/140139139.db2.gz ZPIDGAZWNSGILQ-UHFFFAOYSA-N 1 2 263.326 1.359 20 30 CDEDLO CCC[N@H+](CC(=O)N(C)C)Cc1cccc(C#N)c1F ZINC000219518149 140165897 /nfs/dbraw/zinc/16/58/97/140165897.db2.gz NLJNGKIXROXEPT-UHFFFAOYSA-N 1 2 277.343 1.998 20 30 CDEDLO CCC[N@@H+](CC(=O)N(C)C)Cc1cccc(C#N)c1F ZINC000219518149 140165899 /nfs/dbraw/zinc/16/58/99/140165899.db2.gz NLJNGKIXROXEPT-UHFFFAOYSA-N 1 2 277.343 1.998 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(C3CC3)no2)C1=O ZINC000660464755 413147169 /nfs/dbraw/zinc/14/71/69/413147169.db2.gz SRVIBGCHMRLYAX-CQSZACIVSA-N 1 2 275.352 1.771 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(C3CC3)no2)C1=O ZINC000660464755 413147173 /nfs/dbraw/zinc/14/71/73/413147173.db2.gz SRVIBGCHMRLYAX-CQSZACIVSA-N 1 2 275.352 1.771 20 30 CDEDLO C[C@H](C(=O)N1CCn2cc[nH+]c2C1)c1cccc(C#N)c1 ZINC000335168212 150363271 /nfs/dbraw/zinc/36/32/71/150363271.db2.gz PFHGXDXTAAQZAE-LBPRGKRZSA-N 1 2 280.331 1.901 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc(C#N)[nH]1)CCC2 ZINC000336159507 151321715 /nfs/dbraw/zinc/32/17/15/151321715.db2.gz WMHCNRIMQQKKMO-LLVKDONJSA-N 1 2 283.335 1.699 20 30 CDEDLO CN(C)c1ccc(CNc2nccc(C#N)c2[N+](=O)[O-])c[nH+]1 ZINC000349384706 154107399 /nfs/dbraw/zinc/10/73/99/154107399.db2.gz WXNDKIVBSHCCDV-UHFFFAOYSA-N 1 2 298.306 1.356 20 30 CDEDLO CCn1cc(C[N@H+](CCO)Cc2cc(C#N)cs2)cn1 ZINC000355467774 157069110 /nfs/dbraw/zinc/06/91/10/157069110.db2.gz GDSQFDBGGWNQFU-UHFFFAOYSA-N 1 2 290.392 1.831 20 30 CDEDLO CCn1cc(C[N@@H+](CCO)Cc2cc(C#N)cs2)cn1 ZINC000355467774 157069114 /nfs/dbraw/zinc/06/91/14/157069114.db2.gz GDSQFDBGGWNQFU-UHFFFAOYSA-N 1 2 290.392 1.831 20 30 CDEDLO Cc1nnc([C@@H](C)[NH2+]Cc2cc(C#N)n(C)c2)s1 ZINC000359661046 158326854 /nfs/dbraw/zinc/32/68/54/158326854.db2.gz FMFNYYGCRRKDEY-MRVPVSSYSA-N 1 2 261.354 1.908 20 30 CDEDLO C#CC[N@@H+](CCNS(=O)(=O)CC)Cc1ccccc1 ZINC000285646105 196354212 /nfs/dbraw/zinc/35/42/12/196354212.db2.gz LNAFRSVFPBPUNA-UHFFFAOYSA-N 1 2 280.393 1.061 20 30 CDEDLO C#CC[N@H+](CCNS(=O)(=O)CC)Cc1ccccc1 ZINC000285646105 196354213 /nfs/dbraw/zinc/35/42/13/196354213.db2.gz LNAFRSVFPBPUNA-UHFFFAOYSA-N 1 2 280.393 1.061 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@H](C)C(=O)N[C@@H](C)CC)nn1 ZINC000657335686 414195865 /nfs/dbraw/zinc/19/58/65/414195865.db2.gz SIHXATIPCHWUGA-NWDGAFQWSA-N 1 2 279.388 1.247 20 30 CDEDLO C=CCCn1cc(C[N@@H+](C)CC2=CCCOC2)nn1 ZINC000661652248 414253251 /nfs/dbraw/zinc/25/32/51/414253251.db2.gz KSRWABIJZNJYIH-UHFFFAOYSA-N 1 2 262.357 1.633 20 30 CDEDLO C=CCCn1cc(C[N@H+](C)CC2=CCCOC2)nn1 ZINC000661652248 414253254 /nfs/dbraw/zinc/25/32/54/414253254.db2.gz KSRWABIJZNJYIH-UHFFFAOYSA-N 1 2 262.357 1.633 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)nn1 ZINC000657488353 414388185 /nfs/dbraw/zinc/38/81/85/414388185.db2.gz BOJQEESGANGAMU-KGLIPLIRSA-N 1 2 289.383 1.097 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(Cl)nc2)CC1 ZINC000038105775 174120104 /nfs/dbraw/zinc/12/01/04/174120104.db2.gz CAZFLCHMIIZUMX-UHFFFAOYSA-N 1 2 263.728 1.126 20 30 CDEDLO Cc1nnc(NC[C@H](C)[NH+]2CCOCC2)c(C#N)c1C ZINC000044913924 175276451 /nfs/dbraw/zinc/27/64/51/175276451.db2.gz OSGAEFSYBMIIIC-JTQLQIEISA-N 1 2 275.356 1.098 20 30 CDEDLO N#CC1(CNC(=O)c2ccc3[nH+]ccn3c2)CCC1 ZINC000334884252 225372812 /nfs/dbraw/zinc/37/28/12/225372812.db2.gz CWFGDYDBHBNLQC-UHFFFAOYSA-N 1 2 254.293 1.758 20 30 CDEDLO C[C@H](C#N)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000347052645 226005045 /nfs/dbraw/zinc/00/50/45/226005045.db2.gz QXKKVSUORXXQBT-GFCCVEGCSA-N 1 2 268.320 1.707 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000575165715 335074347 /nfs/dbraw/zinc/07/43/47/335074347.db2.gz FNSNEOFGXMYERS-SMDDNHRTSA-N 1 2 263.341 1.060 20 30 CDEDLO Cc1ncoc1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000329994689 228010265 /nfs/dbraw/zinc/01/02/65/228010265.db2.gz MLOXDNRDJHQSNQ-MWLCHTKSSA-N 1 2 267.329 1.397 20 30 CDEDLO Cc1nnccc1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330102001 228039435 /nfs/dbraw/zinc/03/94/35/228039435.db2.gz FNDBNYCHPCRTHD-UHFFFAOYSA-N 1 2 286.339 1.933 20 30 CDEDLO Cc1nnccc1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000330102001 228039436 /nfs/dbraw/zinc/03/94/36/228039436.db2.gz FNDBNYCHPCRTHD-UHFFFAOYSA-N 1 2 286.339 1.933 20 30 CDEDLO C=CC[N@@H+](CCNS(C)(=O)=O)Cc1cccc(C#N)c1 ZINC000107299824 260286577 /nfs/dbraw/zinc/28/65/77/260286577.db2.gz SLGMRUFPGAINCB-UHFFFAOYSA-N 1 2 293.392 1.095 20 30 CDEDLO C=CC[N@H+](CCNS(C)(=O)=O)Cc1cccc(C#N)c1 ZINC000107299824 260286578 /nfs/dbraw/zinc/28/65/78/260286578.db2.gz SLGMRUFPGAINCB-UHFFFAOYSA-N 1 2 293.392 1.095 20 30 CDEDLO C=CCC1(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CCC1 ZINC000517799342 260307514 /nfs/dbraw/zinc/30/75/14/260307514.db2.gz XWDDQUTWSBEAMS-ZDUSSCGKSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CCC1(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CCC1 ZINC000517799342 260307516 /nfs/dbraw/zinc/30/75/16/260307516.db2.gz XWDDQUTWSBEAMS-ZDUSSCGKSA-N 1 2 266.385 1.570 20 30 CDEDLO CN(CCC#N)S(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000126041807 260344959 /nfs/dbraw/zinc/34/49/59/260344959.db2.gz ZKZAOUIHVYKFHK-LLVKDONJSA-N 1 2 297.384 1.027 20 30 CDEDLO C#CC[N@@H+](CC)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000490851662 261227969 /nfs/dbraw/zinc/22/79/69/261227969.db2.gz HQQWKKDNXOUSKK-UHFFFAOYSA-N 1 2 299.330 1.577 20 30 CDEDLO C#CC[N@H+](CC)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000490851662 261227972 /nfs/dbraw/zinc/22/79/72/261227972.db2.gz HQQWKKDNXOUSKK-UHFFFAOYSA-N 1 2 299.330 1.577 20 30 CDEDLO C#CC[N@@H+](Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000490867018 261232097 /nfs/dbraw/zinc/23/20/97/261232097.db2.gz YBQUMZOQIVEGSS-HNNXBMFYSA-N 1 2 277.389 1.617 20 30 CDEDLO C#CC[N@H+](Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000490867018 261232099 /nfs/dbraw/zinc/23/20/99/261232099.db2.gz YBQUMZOQIVEGSS-HNNXBMFYSA-N 1 2 277.389 1.617 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@](CCC)(C2CC2)C1=O ZINC000491068471 261314714 /nfs/dbraw/zinc/31/47/14/261314714.db2.gz PJZMQNZSJNCKCU-IAQYHMDHSA-N 1 2 277.368 1.398 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@](CCC)(C2CC2)C1=O ZINC000491068471 261314719 /nfs/dbraw/zinc/31/47/19/261314719.db2.gz PJZMQNZSJNCKCU-IAQYHMDHSA-N 1 2 277.368 1.398 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000367604200 261317325 /nfs/dbraw/zinc/31/73/25/261317325.db2.gz SLOGIEXEHZAIHF-CABCVRRESA-N 1 2 294.395 1.067 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000367604200 261317327 /nfs/dbraw/zinc/31/73/27/261317327.db2.gz SLOGIEXEHZAIHF-CABCVRRESA-N 1 2 294.395 1.067 20 30 CDEDLO C#CCNC(=O)CCN1CC[NH+](Cc2ccsc2)CC1 ZINC000491778775 262038133 /nfs/dbraw/zinc/03/81/33/262038133.db2.gz GSLGEXXTFLAFGE-UHFFFAOYSA-N 1 2 291.420 1.005 20 30 CDEDLO N#CCC1(O)C[NH+](C[C@@H]2CCOc3ccccc32)C1 ZINC000364473064 262248050 /nfs/dbraw/zinc/24/80/50/262248050.db2.gz CCUQMZBUHJCVCT-LBPRGKRZSA-N 1 2 258.321 1.513 20 30 CDEDLO C=CC[C@H](CO)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000185915624 262310986 /nfs/dbraw/zinc/31/09/86/262310986.db2.gz AUVQSBXNXRVQJX-CYBMUJFWSA-N 1 2 271.320 1.539 20 30 CDEDLO CC#CCN1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000365565038 262370931 /nfs/dbraw/zinc/37/09/31/262370931.db2.gz GYHSCZJJKKYACX-HNNXBMFYSA-N 1 2 282.347 1.139 20 30 CDEDLO N#CCCCNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000273069187 263012054 /nfs/dbraw/zinc/01/20/54/263012054.db2.gz JBGADNVWARPKEI-UHFFFAOYSA-N 1 2 276.340 1.411 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2cccc(C#N)c2)CC[S@]1=O ZINC000277210401 263040280 /nfs/dbraw/zinc/04/02/80/263040280.db2.gz NGVSABCCNBNIGH-KPZWWZAWSA-N 1 2 262.378 1.901 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)CC[S@]1=O ZINC000277210401 263040281 /nfs/dbraw/zinc/04/02/81/263040281.db2.gz NGVSABCCNBNIGH-KPZWWZAWSA-N 1 2 262.378 1.901 20 30 CDEDLO NC(Cc1ccccc1Cl)=[NH+]OC[C@@H]1CNC(=O)O1 ZINC000282258078 263075354 /nfs/dbraw/zinc/07/53/54/263075354.db2.gz NLRSEFXWQJKZSU-VIFPVBQESA-N 1 2 283.715 1.280 20 30 CDEDLO CO/N=C/C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000282953616 263079876 /nfs/dbraw/zinc/07/98/76/263079876.db2.gz HKIXUVPZSSUQCJ-LFIBNONCSA-N 1 2 290.367 1.005 20 30 CDEDLO C[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCC1=O ZINC000283326879 263082332 /nfs/dbraw/zinc/08/23/32/263082332.db2.gz YVMIDZBQRZNWAE-LBPRGKRZSA-N 1 2 258.321 2.000 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCC1=O ZINC000283326879 263082333 /nfs/dbraw/zinc/08/23/33/263082333.db2.gz YVMIDZBQRZNWAE-LBPRGKRZSA-N 1 2 258.321 2.000 20 30 CDEDLO COc1ccc(CCO[NH+]=C(N)[C@@H]2CCCO2)cc1 ZINC000283981195 263085238 /nfs/dbraw/zinc/08/52/38/263085238.db2.gz GTFPWPGIYLHRJQ-ZDUSSCGKSA-N 1 2 264.325 1.706 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)O[NH+]=C(N)[C@H]1CCCO1 ZINC000284474641 263087192 /nfs/dbraw/zinc/08/71/92/263087192.db2.gz RLGCBLBDRORWRR-VXGBXAGGSA-N 1 2 281.356 1.043 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000299147829 263232224 /nfs/dbraw/zinc/23/22/24/263232224.db2.gz CTZTZEZVOJVKMF-QWHCGFSZSA-N 1 2 291.370 1.964 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000299147829 263232225 /nfs/dbraw/zinc/23/22/25/263232225.db2.gz CTZTZEZVOJVKMF-QWHCGFSZSA-N 1 2 291.370 1.964 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2c(O)cccc2F)CC1 ZINC000121205190 263291815 /nfs/dbraw/zinc/29/18/15/263291815.db2.gz QUQBNZACUILEOX-UHFFFAOYSA-N 1 2 276.311 1.312 20 30 CDEDLO C=CCOCCCC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000341700098 263346781 /nfs/dbraw/zinc/34/67/81/263346781.db2.gz ZQSUVAMVIPEDJN-CQSZACIVSA-N 1 2 277.368 1.970 20 30 CDEDLO CCOC(=O)[C@H](CC)[NH+]1CCC(C#N)(COC)CC1 ZINC000341996958 263373572 /nfs/dbraw/zinc/37/35/72/263373572.db2.gz TYEYVSZAJQMDHP-LBPRGKRZSA-N 1 2 268.357 1.580 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2ccc(F)cn2)CC1 ZINC000341987893 263381248 /nfs/dbraw/zinc/38/12/48/263381248.db2.gz IZTJLGVGGXJLBW-UHFFFAOYSA-N 1 2 263.316 1.973 20 30 CDEDLO CC[C@]1(C)COCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000330512063 263956807 /nfs/dbraw/zinc/95/68/07/263956807.db2.gz KFCMCNGBAGVAIP-CABCVRRESA-N 1 2 281.400 1.542 20 30 CDEDLO CC[C@]1(C)COCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000330512063 263956808 /nfs/dbraw/zinc/95/68/08/263956808.db2.gz KFCMCNGBAGVAIP-CABCVRRESA-N 1 2 281.400 1.542 20 30 CDEDLO COc1ccc(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)cc1 ZINC000330694334 264005098 /nfs/dbraw/zinc/00/50/98/264005098.db2.gz BBIDHPNQDXMJIP-ZDUSSCGKSA-N 1 2 292.383 1.267 20 30 CDEDLO COc1ccc(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)cc1 ZINC000330694334 264005099 /nfs/dbraw/zinc/00/50/99/264005099.db2.gz BBIDHPNQDXMJIP-ZDUSSCGKSA-N 1 2 292.383 1.267 20 30 CDEDLO CN(CC#N)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000330698502 264005373 /nfs/dbraw/zinc/00/53/73/264005373.db2.gz FAIDUYTXWKZRAQ-UHFFFAOYSA-N 1 2 273.336 1.114 20 30 CDEDLO C=CCNC(=O)C[NH2+]C1(c2noc(C)n2)CCCCC1 ZINC000330704374 264018599 /nfs/dbraw/zinc/01/85/99/264018599.db2.gz MIVORHKNUUMKGK-UHFFFAOYSA-N 1 2 278.356 1.429 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccc(C(=O)OC)o2)nn1 ZINC000425346294 264018843 /nfs/dbraw/zinc/01/88/43/264018843.db2.gz BMAPRDDDZZPVHM-UHFFFAOYSA-N 1 2 276.296 1.134 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000330834440 264050443 /nfs/dbraw/zinc/05/04/43/264050443.db2.gz KXYNBBPOBTYECX-ONGXEEELSA-N 1 2 274.349 1.840 20 30 CDEDLO C[C@@H](C[S@](C)=O)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000125906755 264070111 /nfs/dbraw/zinc/07/01/11/264070111.db2.gz HUNFEJFTQHMBHF-KPZWWZAWSA-N 1 2 267.369 1.876 20 30 CDEDLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000125906755 264070114 /nfs/dbraw/zinc/07/01/14/264070114.db2.gz HUNFEJFTQHMBHF-KPZWWZAWSA-N 1 2 267.369 1.876 20 30 CDEDLO CC(C)n1cc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cn1 ZINC000330950386 264085349 /nfs/dbraw/zinc/08/53/49/264085349.db2.gz JQVYTPJVPKHJSA-LBPRGKRZSA-N 1 2 280.372 1.489 20 30 CDEDLO CC(C)n1cc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cn1 ZINC000330950386 264085350 /nfs/dbraw/zinc/08/53/50/264085350.db2.gz JQVYTPJVPKHJSA-LBPRGKRZSA-N 1 2 280.372 1.489 20 30 CDEDLO COCCCNC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000331181923 264155102 /nfs/dbraw/zinc/15/51/02/264155102.db2.gz HJZYPRUFRRRDBX-DGCLKSJQSA-N 1 2 296.371 1.180 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@H](C)c2cnn(C)c2)nn1 ZINC000653615768 424343246 /nfs/dbraw/zinc/34/32/46/424343246.db2.gz YITGMCNOGBAYME-LLVKDONJSA-N 1 2 260.345 1.439 20 30 CDEDLO C[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000398822682 267077874 /nfs/dbraw/zinc/07/78/74/267077874.db2.gz NUOURXODRPMRQP-GHMZBOCLSA-N 1 2 293.392 1.509 20 30 CDEDLO C[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000398822682 267077876 /nfs/dbraw/zinc/07/78/76/267077876.db2.gz NUOURXODRPMRQP-GHMZBOCLSA-N 1 2 293.392 1.509 20 30 CDEDLO N#Cc1ccc(C(=O)NCCCCn2cc[nH+]c2)cc1O ZINC000527190146 268197354 /nfs/dbraw/zinc/19/73/54/268197354.db2.gz NRSYZLCQZRNKFN-UHFFFAOYSA-N 1 2 284.319 1.671 20 30 CDEDLO C#CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268501803 275382867 /nfs/dbraw/zinc/38/28/67/275382867.db2.gz QHELLADLOQVBII-UHFFFAOYSA-N 1 2 260.297 1.053 20 30 CDEDLO C=C[C@H](C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000345230888 276921994 /nfs/dbraw/zinc/92/19/94/276921994.db2.gz DTOXBFLBNUAYLH-AVGNSLFASA-N 1 2 267.373 1.066 20 30 CDEDLO CC1(C)C[N@H+](Cc2cccc(C#N)c2F)C[C@@H](CO)O1 ZINC000221987360 278337073 /nfs/dbraw/zinc/33/70/73/278337073.db2.gz HNRBZCLHDOKACX-ZDUSSCGKSA-N 1 2 278.327 1.669 20 30 CDEDLO CC1(C)C[N@@H+](Cc2cccc(C#N)c2F)C[C@@H](CO)O1 ZINC000221987360 278337075 /nfs/dbraw/zinc/33/70/75/278337075.db2.gz HNRBZCLHDOKACX-ZDUSSCGKSA-N 1 2 278.327 1.669 20 30 CDEDLO CC[N@H+](CC#Cc1cccc(Cl)c1)[C@@H]1CCNC1=O ZINC000282199749 279047209 /nfs/dbraw/zinc/04/72/09/279047209.db2.gz COSJMRNGSSXFEH-CQSZACIVSA-N 1 2 276.767 1.902 20 30 CDEDLO CC[N@@H+](CC#Cc1cccc(Cl)c1)[C@@H]1CCNC1=O ZINC000282199749 279047211 /nfs/dbraw/zinc/04/72/11/279047211.db2.gz COSJMRNGSSXFEH-CQSZACIVSA-N 1 2 276.767 1.902 20 30 CDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)[C@@H](C)C1 ZINC000352595618 279365600 /nfs/dbraw/zinc/36/56/00/279365600.db2.gz BAFBQXXDLDXVGI-JTQLQIEISA-N 1 2 299.421 1.334 20 30 CDEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)[C@@H](C)C1 ZINC000352595618 279365601 /nfs/dbraw/zinc/36/56/01/279365601.db2.gz BAFBQXXDLDXVGI-JTQLQIEISA-N 1 2 299.421 1.334 20 30 CDEDLO Cc1onc(CC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1C#N ZINC000541856515 289517306 /nfs/dbraw/zinc/51/73/06/289517306.db2.gz OVRZCZTUZVIAQV-NSHDSACASA-N 1 2 299.334 1.147 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)NCCCCn2cc[nH+]c2)o1 ZINC000553534586 290125210 /nfs/dbraw/zinc/12/52/10/290125210.db2.gz XRIAFHBHNXTRAF-UHFFFAOYSA-N 1 2 294.336 1.106 20 30 CDEDLO Cc1nc([C@@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)no1 ZINC000558459707 290396507 /nfs/dbraw/zinc/39/65/07/290396507.db2.gz OOIDZTFNVUFCDK-MRVPVSSYSA-N 1 2 289.343 1.011 20 30 CDEDLO Cc1nc([C@@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2C#N)no1 ZINC000558459707 290396511 /nfs/dbraw/zinc/39/65/11/290396511.db2.gz OOIDZTFNVUFCDK-MRVPVSSYSA-N 1 2 289.343 1.011 20 30 CDEDLO N#Cc1cncc(N2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000564892042 293445814 /nfs/dbraw/zinc/44/58/14/293445814.db2.gz FDUMUCMNBLIPCI-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO COc1ccccc1C[N@H+](CCO)Cc1ccc(C#N)cn1 ZINC000576773000 317205247 /nfs/dbraw/zinc/20/52/47/317205247.db2.gz FRYDLEFHRAABLW-UHFFFAOYSA-N 1 2 297.358 1.956 20 30 CDEDLO COc1ccccc1C[N@@H+](CCO)Cc1ccc(C#N)cn1 ZINC000576773000 317205249 /nfs/dbraw/zinc/20/52/49/317205249.db2.gz FRYDLEFHRAABLW-UHFFFAOYSA-N 1 2 297.358 1.956 20 30 CDEDLO C=CCN(C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000153993024 328074586 /nfs/dbraw/zinc/07/45/86/328074586.db2.gz MHKOUYCAFUAXQV-CQSZACIVSA-N 1 2 299.440 1.022 20 30 CDEDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000264567346 328160443 /nfs/dbraw/zinc/16/04/43/328160443.db2.gz QDMNCJDPODBKHE-OAHLLOKOSA-N 1 2 287.363 1.545 20 30 CDEDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000264567346 328160445 /nfs/dbraw/zinc/16/04/45/328160445.db2.gz QDMNCJDPODBKHE-OAHLLOKOSA-N 1 2 287.363 1.545 20 30 CDEDLO N#CCCCNC(=O)NCCCNc1cccc[nH+]1 ZINC000273580788 328205403 /nfs/dbraw/zinc/20/54/03/328205403.db2.gz PHMDLFIGKWTYPD-UHFFFAOYSA-N 1 2 261.329 1.487 20 30 CDEDLO COCCc1ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000292752625 328273349 /nfs/dbraw/zinc/27/33/49/328273349.db2.gz IESKCZKAEDWUOU-OAHLLOKOSA-N 1 2 292.379 1.461 20 30 CDEDLO COCCc1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000292752625 328273350 /nfs/dbraw/zinc/27/33/50/328273350.db2.gz IESKCZKAEDWUOU-OAHLLOKOSA-N 1 2 292.379 1.461 20 30 CDEDLO N#Cc1cc(NCc2cccc(-n3cc[nH+]c3)c2)ncn1 ZINC000580149600 324379485 /nfs/dbraw/zinc/37/94/85/324379485.db2.gz VLCIVKGRQBHFJP-UHFFFAOYSA-N 1 2 276.303 1.568 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000583950419 326812959 /nfs/dbraw/zinc/81/29/59/326812959.db2.gz UGPQCUJVRYEJPS-GFCCVEGCSA-N 1 2 277.368 1.124 20 30 CDEDLO Cc1ccc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000565809804 327019344 /nfs/dbraw/zinc/01/93/44/327019344.db2.gz SOIZLRMRGMUERE-OAHLLOKOSA-N 1 2 259.353 1.498 20 30 CDEDLO CCn1nc(C(C)C)cc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000569489666 327184967 /nfs/dbraw/zinc/18/49/67/327184967.db2.gz NIGVKWOCVPRSJD-OAHLLOKOSA-N 1 2 291.399 1.600 20 30 CDEDLO CCOc1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000122785918 327367940 /nfs/dbraw/zinc/36/79/40/327367940.db2.gz RJYBQGZCWADZQR-ZDUSSCGKSA-N 1 2 278.352 1.670 20 30 CDEDLO CCOc1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000122785918 327367941 /nfs/dbraw/zinc/36/79/41/327367941.db2.gz RJYBQGZCWADZQR-ZDUSSCGKSA-N 1 2 278.352 1.670 20 30 CDEDLO Cc1[nH+]c2cc(NC(=O)C(=O)N[C@H](C)CC#N)ccc2n1C ZINC000526380189 328776880 /nfs/dbraw/zinc/77/68/80/328776880.db2.gz WYTWVHIOSKUFRP-SECBINFHSA-N 1 2 299.334 1.239 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CC[C@H](OC)C[C@H]2C(=O)OC)cc1 ZINC000377631210 329022245 /nfs/dbraw/zinc/02/22/45/329022245.db2.gz WBJPEKXVIZAMQF-HOTGVXAUSA-N 1 2 287.359 1.820 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CC[C@H](OC)C[C@H]2C(=O)OC)cc1 ZINC000377631210 329022246 /nfs/dbraw/zinc/02/22/46/329022246.db2.gz WBJPEKXVIZAMQF-HOTGVXAUSA-N 1 2 287.359 1.820 20 30 CDEDLO C#CCCCCC(=O)N1CCC[N@@H+](CC(=O)OCC)CC1 ZINC000179946156 329213718 /nfs/dbraw/zinc/21/37/18/329213718.db2.gz HINAZZOYQGGKDV-UHFFFAOYSA-N 1 2 294.395 1.277 20 30 CDEDLO C#CCCCCC(=O)N1CCC[N@H+](CC(=O)OCC)CC1 ZINC000179946156 329213719 /nfs/dbraw/zinc/21/37/19/329213719.db2.gz HINAZZOYQGGKDV-UHFFFAOYSA-N 1 2 294.395 1.277 20 30 CDEDLO CC#CCCNC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000582973624 329296945 /nfs/dbraw/zinc/29/69/45/329296945.db2.gz FHDRSSLFUQROGJ-SNVBAGLBSA-N 1 2 287.285 1.986 20 30 CDEDLO C=CC[NH+](CC=C)Cc1cn(C)nc1C(=O)OCC ZINC000186155544 329338536 /nfs/dbraw/zinc/33/85/36/329338536.db2.gz MYIUJRRQDKLGDU-UHFFFAOYSA-N 1 2 263.341 1.771 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccccc2C)CC1 ZINC000120929506 330393211 /nfs/dbraw/zinc/39/32/11/330393211.db2.gz TVSSGCXITMUPJG-OAHLLOKOSA-N 1 2 286.375 1.540 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000429851336 330555819 /nfs/dbraw/zinc/55/58/19/330555819.db2.gz PYFNJNLPYJDXRO-GFCCVEGCSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CC[C@@H](C)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433917287 330632751 /nfs/dbraw/zinc/63/27/51/330632751.db2.gz DQFCEWFNMBUWPN-GFCCVEGCSA-N 1 2 267.373 1.115 20 30 CDEDLO C=CCCOCCNc1nc(NC)c2ccccc2[nH+]1 ZINC000450400193 330976351 /nfs/dbraw/zinc/97/63/51/330976351.db2.gz GIRYXBHRCBWTFX-UHFFFAOYSA-N 1 2 272.352 1.520 20 30 CDEDLO C[N@H+](CC#Cc1cccc(Cl)c1)C(C)(C)C(N)=O ZINC000451135473 331016994 /nfs/dbraw/zinc/01/69/94/331016994.db2.gz MHQJAKRVTKBZMQ-UHFFFAOYSA-N 1 2 264.756 1.887 20 30 CDEDLO C[N@@H+](CC#Cc1cccc(Cl)c1)C(C)(C)C(N)=O ZINC000451135473 331016995 /nfs/dbraw/zinc/01/69/95/331016995.db2.gz MHQJAKRVTKBZMQ-UHFFFAOYSA-N 1 2 264.756 1.887 20 30 CDEDLO CC[N@@H+]1CCN(S(=O)(=O)CC2(CC#N)CC2)[C@@H](C)C1 ZINC000451528629 331032636 /nfs/dbraw/zinc/03/26/36/331032636.db2.gz FWSPNDCVNKRMFR-LBPRGKRZSA-N 1 2 285.413 1.036 20 30 CDEDLO CC[N@H+]1CCN(S(=O)(=O)CC2(CC#N)CC2)[C@@H](C)C1 ZINC000451528629 331032637 /nfs/dbraw/zinc/03/26/37/331032637.db2.gz FWSPNDCVNKRMFR-LBPRGKRZSA-N 1 2 285.413 1.036 20 30 CDEDLO Cc1cc(C)c(CNS(=O)(=O)N(C)[C@H](C)CC#N)c[nH+]1 ZINC000452047513 331052100 /nfs/dbraw/zinc/05/21/00/331052100.db2.gz YRLKSMKJEBDKIG-GFCCVEGCSA-N 1 2 296.396 1.267 20 30 CDEDLO COCCN(CC#N)Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000453598409 331135719 /nfs/dbraw/zinc/13/57/19/331135719.db2.gz OOVWLKSPYSVXRO-UHFFFAOYSA-N 1 2 278.743 1.960 20 30 CDEDLO Cc1cc(C)c(CNC(=O)N=c2ccn(CCC#N)[nH]2)c[nH+]1 ZINC000454822110 331154480 /nfs/dbraw/zinc/15/44/80/331154480.db2.gz GUNWWRLAAWLOFG-UHFFFAOYSA-N 1 2 298.350 1.552 20 30 CDEDLO C=C(C)CCNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000454991094 331158323 /nfs/dbraw/zinc/15/83/23/331158323.db2.gz LDCZXTMVHXBSEH-ZDUSSCGKSA-N 1 2 267.373 1.115 20 30 CDEDLO C=C(C)CCNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000454991094 331158324 /nfs/dbraw/zinc/15/83/24/331158324.db2.gz LDCZXTMVHXBSEH-ZDUSSCGKSA-N 1 2 267.373 1.115 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000456764585 331201402 /nfs/dbraw/zinc/20/14/02/331201402.db2.gz INNGBYCQOIMTGN-DZGCQCFKSA-N 1 2 296.411 1.073 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000456764585 331201403 /nfs/dbraw/zinc/20/14/03/331201403.db2.gz INNGBYCQOIMTGN-DZGCQCFKSA-N 1 2 296.411 1.073 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000458804603 331260225 /nfs/dbraw/zinc/26/02/25/331260225.db2.gz XROLZJAOKMZFRL-CYBMUJFWSA-N 1 2 294.399 1.041 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000458804603 331260226 /nfs/dbraw/zinc/26/02/26/331260226.db2.gz XROLZJAOKMZFRL-CYBMUJFWSA-N 1 2 294.399 1.041 20 30 CDEDLO C=C(CC)CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000459080680 331269656 /nfs/dbraw/zinc/26/96/56/331269656.db2.gz PXRAGWXEAZUOTD-CQSZACIVSA-N 1 2 281.400 1.459 20 30 CDEDLO Cc1cccc2nc(C[NH2+][C@H]3CCC[C@H]3C#N)cc(=O)n12 ZINC000459461746 331282716 /nfs/dbraw/zinc/28/27/16/331282716.db2.gz ISSBPWREUNJBAH-JSGCOSHPSA-N 1 2 282.347 1.785 20 30 CDEDLO C=CCn1cccc1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000489013515 332037711 /nfs/dbraw/zinc/03/77/11/332037711.db2.gz MMHXIJJDTYBUJF-UHFFFAOYSA-N 1 2 291.395 1.515 20 30 CDEDLO C=CCn1cccc1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000489013515 332037713 /nfs/dbraw/zinc/03/77/13/332037713.db2.gz MMHXIJJDTYBUJF-UHFFFAOYSA-N 1 2 291.395 1.515 20 30 CDEDLO C#CC[N@@H+](CC#CC)C[C@@H](O)c1c(F)cccc1F ZINC000490679666 332103229 /nfs/dbraw/zinc/10/32/29/332103229.db2.gz UENREIPPFSHEES-CQSZACIVSA-N 1 2 263.287 1.957 20 30 CDEDLO C#CC[N@H+](CC#CC)C[C@@H](O)c1c(F)cccc1F ZINC000490679666 332103230 /nfs/dbraw/zinc/10/32/30/332103230.db2.gz UENREIPPFSHEES-CQSZACIVSA-N 1 2 263.287 1.957 20 30 CDEDLO C#CCN(Cc1[nH+]ccn1C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000490842086 332119884 /nfs/dbraw/zinc/11/98/84/332119884.db2.gz YIXCKFJOKCIFSG-ZDUSSCGKSA-N 1 2 295.408 1.086 20 30 CDEDLO C#CCNC(=O)C1CC[NH+](Cc2ncc(Cl)s2)CC1 ZINC000491155501 332158301 /nfs/dbraw/zinc/15/83/01/332158301.db2.gz RUBJGICYKADPJA-UHFFFAOYSA-N 1 2 297.811 1.758 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000491547011 332235738 /nfs/dbraw/zinc/23/57/38/332235738.db2.gz YBRAUFOZSFEKSW-AWEZNQCLSA-N 1 2 254.333 1.606 20 30 CDEDLO C#C[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC000491566873 332239162 /nfs/dbraw/zinc/23/91/62/332239162.db2.gz IJLKPMTZUFURHC-CYBMUJFWSA-N 1 2 257.268 1.513 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@@](C)(C2CCCC2)C1=O ZINC000491566928 332239264 /nfs/dbraw/zinc/23/92/64/332239264.db2.gz IVUVJJHQAIKOGE-NHYWBVRUSA-N 1 2 277.368 1.398 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@@](C)(C2CCCC2)C1=O ZINC000491566928 332239265 /nfs/dbraw/zinc/23/92/65/332239265.db2.gz IVUVJJHQAIKOGE-NHYWBVRUSA-N 1 2 277.368 1.398 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C[C@]2(CCc3ccccc32)C1=O ZINC000491689132 332286757 /nfs/dbraw/zinc/28/67/57/332286757.db2.gz GRBPHSBROMKOMI-ACJLOTCBSA-N 1 2 296.370 1.541 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C[C@]2(CCc3ccccc32)C1=O ZINC000491689132 332286758 /nfs/dbraw/zinc/28/67/58/332286758.db2.gz GRBPHSBROMKOMI-ACJLOTCBSA-N 1 2 296.370 1.541 20 30 CDEDLO C#C[C@H]1COCCN1C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000491716015 332306023 /nfs/dbraw/zinc/30/60/23/332306023.db2.gz LUPHWSAPQAHEBK-AWEZNQCLSA-N 1 2 298.346 1.186 20 30 CDEDLO C#CCNC(=O)CC[N@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000491726763 332310202 /nfs/dbraw/zinc/31/02/02/332310202.db2.gz DOADAWJSZQZYSJ-OAHLLOKOSA-N 1 2 290.338 1.339 20 30 CDEDLO C#CCNC(=O)CC[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000491726763 332310203 /nfs/dbraw/zinc/31/02/03/332310203.db2.gz DOADAWJSZQZYSJ-OAHLLOKOSA-N 1 2 290.338 1.339 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2C2CC2)CC1 ZINC000491789732 332351520 /nfs/dbraw/zinc/35/15/20/332351520.db2.gz VJZPNDGVOYVYEH-UHFFFAOYSA-N 1 2 287.411 1.567 20 30 CDEDLO N#CCOc1ccc(/C=C/C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000492043839 332380253 /nfs/dbraw/zinc/38/02/53/332380253.db2.gz RGFUKYXKACTQJR-ZZXKWVIFSA-N 1 2 296.330 1.684 20 30 CDEDLO Cn1cnc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)n1 ZINC000219213185 333144336 /nfs/dbraw/zinc/14/43/36/333144336.db2.gz MJOSKQIHFZTIDJ-UHFFFAOYSA-N 1 2 267.336 1.529 20 30 CDEDLO Cc1ccc(OCC(=O)N[C@@](C)(C#N)C[NH+](C)C)c(C)c1 ZINC000580557643 335280223 /nfs/dbraw/zinc/28/02/23/335280223.db2.gz TZYCJEPLEHDQNX-INIZCTEOSA-N 1 2 289.379 1.642 20 30 CDEDLO Cc1cccnc1C[N@H+]1CC[C@H]1CNC(=O)C#CC(C)C ZINC001754483797 1159234697 /nfs/dbraw/zinc/23/46/97/1159234697.db2.gz OOLZJRVGHGPVDD-HNNXBMFYSA-N 1 2 285.391 1.740 20 30 CDEDLO Cc1cccnc1C[N@@H+]1CC[C@H]1CNC(=O)C#CC(C)C ZINC001754483797 1159234701 /nfs/dbraw/zinc/23/47/01/1159234701.db2.gz OOLZJRVGHGPVDD-HNNXBMFYSA-N 1 2 285.391 1.740 20 30 CDEDLO O=C(C#CC1CC1)NC[C@H]1CC[N@H+]1Cc1ccc(F)cc1 ZINC001754484016 1159234946 /nfs/dbraw/zinc/23/49/46/1159234946.db2.gz SVTYHXIXTAFWTG-MRXNPFEDSA-N 1 2 286.350 1.930 20 30 CDEDLO O=C(C#CC1CC1)NC[C@H]1CC[N@@H+]1Cc1ccc(F)cc1 ZINC001754484016 1159234950 /nfs/dbraw/zinc/23/49/50/1159234950.db2.gz SVTYHXIXTAFWTG-MRXNPFEDSA-N 1 2 286.350 1.930 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CCOc2ccccc21 ZINC000580896510 335981417 /nfs/dbraw/zinc/98/14/17/335981417.db2.gz XVWHJYIOTIHHLG-BBRMVZONSA-N 1 2 287.363 1.513 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000194360605 336018463 /nfs/dbraw/zinc/01/84/63/336018463.db2.gz HUKUQTWGKXTBLS-NSHDSACASA-N 1 2 279.296 1.180 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000194360605 336018465 /nfs/dbraw/zinc/01/84/65/336018465.db2.gz HUKUQTWGKXTBLS-NSHDSACASA-N 1 2 279.296 1.180 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001754497732 1159248526 /nfs/dbraw/zinc/24/85/26/1159248526.db2.gz OZGAGHOURIFXOZ-OWCLPIDISA-N 1 2 290.407 1.263 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001754497732 1159248533 /nfs/dbraw/zinc/24/85/33/1159248533.db2.gz OZGAGHOURIFXOZ-OWCLPIDISA-N 1 2 290.407 1.263 20 30 CDEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@H]2CC[C@@H](CC)O2)C1 ZINC001755334016 1159836155 /nfs/dbraw/zinc/83/61/55/1159836155.db2.gz RKBODULDACLSQQ-ZIAGYGMSSA-N 1 2 296.411 1.073 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)/C=C(/C)C2CC2)C1 ZINC001753645625 1159866276 /nfs/dbraw/zinc/86/62/76/1159866276.db2.gz CDLYCIYFSYPMAZ-FWLQQBITSA-N 1 2 264.369 1.346 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)/C=C(/C)C2CC2)C1 ZINC001753645625 1159866287 /nfs/dbraw/zinc/86/62/87/1159866287.db2.gz CDLYCIYFSYPMAZ-FWLQQBITSA-N 1 2 264.369 1.346 20 30 CDEDLO C=CCN(c1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1)C1CC1 ZINC000665710116 482476959 /nfs/dbraw/zinc/47/69/59/482476959.db2.gz AEZGZXJSAATWCI-STQMWFEESA-N 1 2 288.395 1.839 20 30 CDEDLO C=CCN(c1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1)C1CC1 ZINC000665710116 482476961 /nfs/dbraw/zinc/47/69/61/482476961.db2.gz AEZGZXJSAATWCI-STQMWFEESA-N 1 2 288.395 1.839 20 30 CDEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000677046778 482518113 /nfs/dbraw/zinc/51/81/13/482518113.db2.gz JALMLOAGQNSCNP-ZDUSSCGKSA-N 1 2 250.386 1.979 20 30 CDEDLO C=CCOCCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000673059644 482672748 /nfs/dbraw/zinc/67/27/48/482672748.db2.gz MPHTVZGCAZWWSB-UHFFFAOYSA-N 1 2 276.327 1.282 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000685571960 483168949 /nfs/dbraw/zinc/16/89/49/483168949.db2.gz NMFZEFBXIHIJCX-OAHLLOKOSA-N 1 2 294.420 1.719 20 30 CDEDLO C=CCN(CCOC)c1cc(-n2cc[nH+]c2)ncn1 ZINC000682923607 483380521 /nfs/dbraw/zinc/38/05/21/483380521.db2.gz DGIOHIBEEDQFDP-UHFFFAOYSA-N 1 2 259.313 1.301 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)F ZINC001716011095 1179984347 /nfs/dbraw/zinc/98/43/47/1179984347.db2.gz VLXQJHCKHVEDPJ-SECBINFHSA-N 1 2 250.745 1.924 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)F ZINC001716011095 1179984353 /nfs/dbraw/zinc/98/43/53/1179984353.db2.gz VLXQJHCKHVEDPJ-SECBINFHSA-N 1 2 250.745 1.924 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cocn1 ZINC001725158108 1181890983 /nfs/dbraw/zinc/89/09/83/1181890983.db2.gz VOKBAMZIFWUSRZ-SECBINFHSA-N 1 2 257.721 1.477 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cocn1 ZINC001725158108 1181890986 /nfs/dbraw/zinc/89/09/86/1181890986.db2.gz VOKBAMZIFWUSRZ-SECBINFHSA-N 1 2 257.721 1.477 20 30 CDEDLO Cc1noc([C@@H](C)[NH2+][C@@H](C)CNC(=O)C#CC(C)C)n1 ZINC001752870456 1184943880 /nfs/dbraw/zinc/94/38/80/1184943880.db2.gz WLCGHUOWDRRCOQ-WDEREUQCSA-N 1 2 278.356 1.193 20 30 CDEDLO C=C[C@H](CC)CC(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001113247107 1162137500 /nfs/dbraw/zinc/13/75/00/1162137500.db2.gz ZUXMGVVBBNMJNW-CQSZACIVSA-N 1 2 290.411 1.667 20 30 CDEDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccc(C#N)o1 ZINC000340674915 519524884 /nfs/dbraw/zinc/52/48/84/519524884.db2.gz LPNZZQHSQSKKEH-UHFFFAOYSA-N 1 2 272.308 1.934 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)C2(NC(C)=O)CCCC2)CC1 ZINC001113427411 1162173565 /nfs/dbraw/zinc/17/35/65/1162173565.db2.gz RSBILCXVLACRCN-UHFFFAOYSA-N 1 2 293.411 1.156 20 30 CDEDLO COCCc1noc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)n1 ZINC000338395171 522045203 /nfs/dbraw/zinc/04/52/03/522045203.db2.gz YMEUQWZFZJFPAC-NSHDSACASA-N 1 2 286.335 1.981 20 30 CDEDLO Cc1ncc(C[NH+]2CCN(C(=O)[C@H](C)C#N)CC2)s1 ZINC000347093652 534735060 /nfs/dbraw/zinc/73/50/60/534735060.db2.gz BAFYUEFUIXXBLW-SNVBAGLBSA-N 1 2 278.381 1.255 20 30 CDEDLO N#Cc1cccc(OCC[N@@H+]2CCOCC23CC3)c1 ZINC000338599739 526727601 /nfs/dbraw/zinc/72/76/01/526727601.db2.gz QZSOMBKOAHOOGQ-UHFFFAOYSA-N 1 2 258.321 1.802 20 30 CDEDLO N#Cc1cccc(OCC[N@H+]2CCOCC23CC3)c1 ZINC000338599739 526727606 /nfs/dbraw/zinc/72/76/06/526727606.db2.gz QZSOMBKOAHOOGQ-UHFFFAOYSA-N 1 2 258.321 1.802 20 30 CDEDLO C=C(CC)C[N@@H+]1CCN(S(=O)(=O)CC)C[C@@H]1C ZINC000347328101 526851981 /nfs/dbraw/zinc/85/19/81/526851981.db2.gz YASKYHAZLLSBJF-LBPRGKRZSA-N 1 2 260.403 1.308 20 30 CDEDLO C=C(CC)C[N@H+]1CCN(S(=O)(=O)CC)C[C@@H]1C ZINC000347328101 526851985 /nfs/dbraw/zinc/85/19/85/526851985.db2.gz YASKYHAZLLSBJF-LBPRGKRZSA-N 1 2 260.403 1.308 20 30 CDEDLO C=CCCC1(C(=O)NCC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC000354606336 527088196 /nfs/dbraw/zinc/08/81/96/527088196.db2.gz RUOLKRJZBMQYQM-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO CC[C@@H](C#N)NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000336072308 529269358 /nfs/dbraw/zinc/26/93/58/529269358.db2.gz FKTIIMNQMZGXNV-NSHDSACASA-N 1 2 256.309 1.914 20 30 CDEDLO C[C@H](NC(=O)N1CCn2c[nH+]cc2C1)c1cncc(F)c1 ZINC000329617940 538597012 /nfs/dbraw/zinc/59/70/12/538597012.db2.gz GABPNVNYNCZDRO-JTQLQIEISA-N 1 2 289.314 1.908 20 30 CDEDLO CC(C)C[C@@H](C#N)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000726560023 574500489 /nfs/dbraw/zinc/50/04/89/574500489.db2.gz UDDRVDKAKXVARN-ZDUSSCGKSA-N 1 2 283.335 1.935 20 30 CDEDLO C[C@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)NCCC#N ZINC000738338196 574510716 /nfs/dbraw/zinc/51/07/16/574510716.db2.gz FRKPWVKUJRJYMU-NSHDSACASA-N 1 2 275.327 1.775 20 30 CDEDLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)NCCC#N ZINC000738338196 574510717 /nfs/dbraw/zinc/51/07/17/574510717.db2.gz FRKPWVKUJRJYMU-NSHDSACASA-N 1 2 275.327 1.775 20 30 CDEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCc3c[nH]nc3C2)cc1 ZINC000750721052 574605510 /nfs/dbraw/zinc/60/55/10/574605510.db2.gz UISBWULTOYHYOP-OAHLLOKOSA-N 1 2 268.320 1.373 20 30 CDEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCc3c[nH]nc3C2)cc1 ZINC000750721052 574605511 /nfs/dbraw/zinc/60/55/11/574605511.db2.gz UISBWULTOYHYOP-OAHLLOKOSA-N 1 2 268.320 1.373 20 30 CDEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCc3cn[nH]c3C2)cc1 ZINC000750721052 574605512 /nfs/dbraw/zinc/60/55/12/574605512.db2.gz UISBWULTOYHYOP-OAHLLOKOSA-N 1 2 268.320 1.373 20 30 CDEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCc3cn[nH]c3C2)cc1 ZINC000750721052 574605513 /nfs/dbraw/zinc/60/55/13/574605513.db2.gz UISBWULTOYHYOP-OAHLLOKOSA-N 1 2 268.320 1.373 20 30 CDEDLO C=CCOCC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000729339005 574751442 /nfs/dbraw/zinc/75/14/42/574751442.db2.gz SKOWBSLDTPAITO-LBPRGKRZSA-N 1 2 265.357 1.617 20 30 CDEDLO Cc1ccn(C[N@H+]2CCCOC[C@H]2C)c(=O)c1C#N ZINC000758235927 574915690 /nfs/dbraw/zinc/91/56/90/574915690.db2.gz BCGXOASNUREKJP-GFCCVEGCSA-N 1 2 261.325 1.097 20 30 CDEDLO Cc1ccn(C[N@@H+]2CCCOC[C@H]2C)c(=O)c1C#N ZINC000758235927 574915692 /nfs/dbraw/zinc/91/56/92/574915692.db2.gz BCGXOASNUREKJP-GFCCVEGCSA-N 1 2 261.325 1.097 20 30 CDEDLO COC[C@H](C)C(C)N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761844663 576597347 /nfs/dbraw/zinc/59/73/47/576597347.db2.gz BPOCRIQGAYMKRA-JTQLQIEISA-N 1 2 274.328 1.733 20 30 CDEDLO Cc1ccc(CCCN=Nc2ccc(C(N)=O)nn2)c[nH+]1 ZINC000774388811 575202219 /nfs/dbraw/zinc/20/22/19/575202219.db2.gz QHQYCKOLXBJWOQ-UHFFFAOYSA-N 1 2 284.323 1.309 20 30 CDEDLO Cn1c[nH+]cc1C=NNc1ccc(F)c([N+](=O)[O-])c1 ZINC000769821854 575389657 /nfs/dbraw/zinc/38/96/57/575389657.db2.gz DONLNKPMNYEZOA-UHFFFAOYSA-N 1 2 263.232 1.913 20 30 CDEDLO CCCc1noc(CO[NH+]=C(N)c2ccc(F)cc2)n1 ZINC000735918929 575534910 /nfs/dbraw/zinc/53/49/10/575534910.db2.gz DAKZULVPDBFCAR-UHFFFAOYSA-N 1 2 278.287 1.998 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)CCOc1cccc(-c2nn[nH]n2)c1 ZINC000735963320 575540679 /nfs/dbraw/zinc/54/06/79/575540679.db2.gz DIKNDWQQXFATJW-LLVKDONJSA-N 1 2 286.339 1.479 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)CCOc1cccc(-c2nn[nH]n2)c1 ZINC000735963320 575540681 /nfs/dbraw/zinc/54/06/81/575540681.db2.gz DIKNDWQQXFATJW-LLVKDONJSA-N 1 2 286.339 1.479 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccn(CCC(C)C)n1 ZINC000766017134 576072560 /nfs/dbraw/zinc/07/25/60/576072560.db2.gz CPMUANNBCVOEBF-AWEZNQCLSA-N 1 2 288.395 1.965 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccn(CCC(C)C)n1 ZINC000766017134 576072561 /nfs/dbraw/zinc/07/25/61/576072561.db2.gz CPMUANNBCVOEBF-AWEZNQCLSA-N 1 2 288.395 1.965 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnn(C(F)F)c1 ZINC000767895869 576236699 /nfs/dbraw/zinc/23/66/99/576236699.db2.gz RETQEBDLGLPKHU-JTQLQIEISA-N 1 2 268.267 1.314 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnn(C(F)F)c1 ZINC000767895869 576236700 /nfs/dbraw/zinc/23/67/00/576236700.db2.gz RETQEBDLGLPKHU-JTQLQIEISA-N 1 2 268.267 1.314 20 30 CDEDLO CCOc1ccc(/C=[NH+]/Cc2ncn(C)n2)c(O)c1 ZINC000768269849 576267772 /nfs/dbraw/zinc/26/77/72/576267772.db2.gz RFMQNMRFIMWGLJ-VGOFMYFVSA-N 1 2 260.297 1.539 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000760861999 576517451 /nfs/dbraw/zinc/51/74/51/576517451.db2.gz BTWMPWUHHRPLPU-ZDUSSCGKSA-N 1 2 298.342 1.007 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000760861999 576517455 /nfs/dbraw/zinc/51/74/55/576517455.db2.gz BTWMPWUHHRPLPU-ZDUSSCGKSA-N 1 2 298.342 1.007 20 30 CDEDLO COc1cccc(/C=[NH+]\CCc2ccn(C)n2)c1O ZINC000761015479 576535278 /nfs/dbraw/zinc/53/52/78/576535278.db2.gz MXFGYTNWKPBFQX-GDNBJRDFSA-N 1 2 259.309 1.796 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCc2cn(C)nn2)ccc1F ZINC000761310652 576566627 /nfs/dbraw/zinc/56/66/27/576566627.db2.gz TYBVJEBROBPGPL-UHFFFAOYSA-N 1 2 263.276 1.100 20 30 CDEDLO Cc1ccc(S(=O)(=O)NN=C2C[C@@H](C)[N@@H+](C)C2)cc1 ZINC000761793925 576593698 /nfs/dbraw/zinc/59/36/98/576593698.db2.gz QIQGDCOZEYOTEA-LLVKDONJSA-N 1 2 281.381 1.353 20 30 CDEDLO Cc1ccc(S(=O)(=O)NN=C2C[C@@H](C)[N@H+](C)C2)cc1 ZINC000761793925 576593699 /nfs/dbraw/zinc/59/36/99/576593699.db2.gz QIQGDCOZEYOTEA-LLVKDONJSA-N 1 2 281.381 1.353 20 30 CDEDLO COC(=O)[C@@](C)([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000763560842 576742336 /nfs/dbraw/zinc/74/23/36/576742336.db2.gz PJUKYBFIJGQZOP-ZBFHGGJFSA-N 1 2 288.347 1.523 20 30 CDEDLO N#Cc1cccc(OCC(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000746244264 576765368 /nfs/dbraw/zinc/76/53/68/576765368.db2.gz BTMQLTONKGADDO-UHFFFAOYSA-N 1 2 270.292 1.019 20 30 CDEDLO N#CC1CC[NH+](Cc2nc(-c3ccccn3)no2)CC1 ZINC000747112645 576859344 /nfs/dbraw/zinc/85/93/44/576859344.db2.gz JMZJCJBGBLVRPI-UHFFFAOYSA-N 1 2 269.308 1.867 20 30 CDEDLO CCC(N=NC1=[NH+][C@H]2CCCC[C@H]2N1)[C@@H]1CCOC1 ZINC000753939864 576867530 /nfs/dbraw/zinc/86/75/30/576867530.db2.gz RSLYVZRZKLQZQP-RTXFEEFZSA-N 1 2 264.373 1.649 20 30 CDEDLO Cc1ccc2[nH+]cc(C=NN3C(=S)N=NC3C)n2c1 ZINC000755510989 576947629 /nfs/dbraw/zinc/94/76/29/576947629.db2.gz NKRPUZYCZCMXDO-UHFFFAOYSA-N 1 2 272.337 1.714 20 30 CDEDLO CCn1cc[nH+]c1CN=Nc1ccc(-n2cccn2)nn1 ZINC000755656613 576953888 /nfs/dbraw/zinc/95/38/88/576953888.db2.gz JSPRQMAQOQRXMD-UHFFFAOYSA-N 1 2 282.311 1.325 20 30 CDEDLO CC(C)CN(CCC#N)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000750856543 577010638 /nfs/dbraw/zinc/01/06/38/577010638.db2.gz MNUHYMYKDWRCIG-CYBMUJFWSA-N 1 2 274.368 1.844 20 30 CDEDLO C[N@H+](CCOCc1ccccc1)Cn1cccc(C#N)c1=O ZINC000758234823 577087112 /nfs/dbraw/zinc/08/71/12/577087112.db2.gz FRQBKIKKONRQTI-UHFFFAOYSA-N 1 2 297.358 1.826 20 30 CDEDLO C[N@@H+](CCOCc1ccccc1)Cn1cccc(C#N)c1=O ZINC000758234823 577087114 /nfs/dbraw/zinc/08/71/14/577087114.db2.gz FRQBKIKKONRQTI-UHFFFAOYSA-N 1 2 297.358 1.826 20 30 CDEDLO COC1(C)CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758249456 577090893 /nfs/dbraw/zinc/09/08/93/577090893.db2.gz QJIZFUFLGCKIQF-UHFFFAOYSA-N 1 2 261.325 1.178 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2csc(Cl)n2)C1 ZINC000957102486 612992893 /nfs/dbraw/zinc/99/28/93/612992893.db2.gz UAOXRGRXJVVYRN-UHFFFAOYSA-N 1 2 297.811 1.966 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000819845268 607059347 /nfs/dbraw/zinc/05/93/47/607059347.db2.gz SSTXSXRRVKXTRU-SECBINFHSA-N 1 2 274.303 1.597 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000819845268 607059349 /nfs/dbraw/zinc/05/93/49/607059349.db2.gz SSTXSXRRVKXTRU-SECBINFHSA-N 1 2 274.303 1.597 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnc(Cl)n2C)C1 ZINC000950879445 612993007 /nfs/dbraw/zinc/99/30/07/612993007.db2.gz CXYKKVOXIARIAC-UHFFFAOYSA-N 1 2 294.786 1.243 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2nccc3occc32)C1 ZINC000950956826 612993328 /nfs/dbraw/zinc/99/33/28/612993328.db2.gz IKQGZMCKMFIKGP-UHFFFAOYSA-N 1 2 297.358 1.997 20 30 CDEDLO C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1cnns1 ZINC000968768304 613147751 /nfs/dbraw/zinc/14/77/51/613147751.db2.gz YTXBHYHAJXCOLN-LLVKDONJSA-N 1 2 278.381 1.146 20 30 CDEDLO C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cnns1 ZINC000968768304 613147752 /nfs/dbraw/zinc/14/77/52/613147752.db2.gz YTXBHYHAJXCOLN-LLVKDONJSA-N 1 2 278.381 1.146 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cncs2)C1 ZINC000965398248 613221347 /nfs/dbraw/zinc/22/13/47/613221347.db2.gz XIERVFFBLCPFOI-GHMZBOCLSA-N 1 2 263.366 1.217 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cncs2)C1 ZINC000965398248 613221348 /nfs/dbraw/zinc/22/13/48/613221348.db2.gz XIERVFFBLCPFOI-GHMZBOCLSA-N 1 2 263.366 1.217 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](C)Oc2cccnc2)CC1 ZINC000950417634 613318800 /nfs/dbraw/zinc/31/88/00/613318800.db2.gz ZJRNCDRHKUFQBE-AWEZNQCLSA-N 1 2 289.379 1.569 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2c(C)cnn2C)CC1 ZINC000949728492 613320001 /nfs/dbraw/zinc/32/00/01/613320001.db2.gz ARVRHLVAICVSAP-UHFFFAOYSA-N 1 2 262.357 1.062 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(C)ncn2)C1 ZINC000969487421 613372358 /nfs/dbraw/zinc/37/23/58/613372358.db2.gz OLNSCSUOLKQOJA-NSHDSACASA-N 1 2 294.786 1.588 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnnn2CC)C1 ZINC000969609621 613372576 /nfs/dbraw/zinc/37/25/76/613372576.db2.gz UBMNRMNYCUYIQZ-JTQLQIEISA-N 1 2 297.790 1.101 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ncoc2C)C1 ZINC000969361128 613372626 /nfs/dbraw/zinc/37/26/26/613372626.db2.gz GMULZJJTZQJNDE-VIFPVBQESA-N 1 2 283.759 1.786 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CO[C@H](C)C2)CC1 ZINC000981487773 613373799 /nfs/dbraw/zinc/37/37/99/613373799.db2.gz UMWLDKKVOYDHQN-CHWSQXEVSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CO[C@H](C)C2)CC1 ZINC000981487773 613373800 /nfs/dbraw/zinc/37/38/00/613373800.db2.gz UMWLDKKVOYDHQN-CHWSQXEVSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)c2[nH]c(=O)[nH]c2C)CC1 ZINC000981400929 613374056 /nfs/dbraw/zinc/37/40/56/613374056.db2.gz FZAMSSKLKKVJIE-UHFFFAOYSA-N 1 2 298.774 1.324 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)c2[nH]c(=O)[nH]c2C)CC1 ZINC000981400929 613374057 /nfs/dbraw/zinc/37/40/57/613374057.db2.gz FZAMSSKLKKVJIE-UHFFFAOYSA-N 1 2 298.774 1.324 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCO2)C(C)(C)C1 ZINC000972790307 613379898 /nfs/dbraw/zinc/37/98/98/613379898.db2.gz XKBUMKVARWRJRB-VXGBXAGGSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCO2)C(C)(C)C1 ZINC000972790307 613379899 /nfs/dbraw/zinc/37/98/99/613379899.db2.gz XKBUMKVARWRJRB-VXGBXAGGSA-N 1 2 286.803 1.745 20 30 CDEDLO CC(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000970917513 613532762 /nfs/dbraw/zinc/53/27/62/613532762.db2.gz YOQWUPBTCJRZDQ-HNNXBMFYSA-N 1 2 275.327 1.750 20 30 CDEDLO CC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000970917513 613532765 /nfs/dbraw/zinc/53/27/65/613532765.db2.gz YOQWUPBTCJRZDQ-HNNXBMFYSA-N 1 2 275.327 1.750 20 30 CDEDLO C=CCN1CC[C@H](N2CCc3c([nH+]cn3CC)C2)C1=O ZINC000933253329 617378241 /nfs/dbraw/zinc/37/82/41/617378241.db2.gz DNZNBEKHFCKRNZ-AWEZNQCLSA-N 1 2 274.368 1.048 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2c3ccccc3nn2C)C1 ZINC000957098308 613656733 /nfs/dbraw/zinc/65/67/33/613656733.db2.gz JIUQNXODEZPKET-UHFFFAOYSA-N 1 2 298.390 1.906 20 30 CDEDLO C=CC[N@H+]1CCCN(C(=O)c2cnc(CC(C)C)[nH]2)CC1 ZINC000981153731 613698895 /nfs/dbraw/zinc/69/88/95/613698895.db2.gz BHDNRUSRCREZFJ-UHFFFAOYSA-N 1 2 290.411 1.942 20 30 CDEDLO C=CC[N@@H+]1CCCN(C(=O)c2cnc(CC(C)C)[nH]2)CC1 ZINC000981153731 613698897 /nfs/dbraw/zinc/69/88/97/613698897.db2.gz BHDNRUSRCREZFJ-UHFFFAOYSA-N 1 2 290.411 1.942 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2CCC(C)(C)CO2)CC1 ZINC000949357416 613709012 /nfs/dbraw/zinc/70/90/12/613709012.db2.gz BZDADEBYPHYFKG-AWEZNQCLSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc(CC)cn2)CC1 ZINC000950608004 613709570 /nfs/dbraw/zinc/70/95/70/613709570.db2.gz JMEDFQFASWAYMU-UHFFFAOYSA-N 1 2 273.380 1.517 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2noc3ccccc32)CC1 ZINC000949166411 613709973 /nfs/dbraw/zinc/70/99/73/613709973.db2.gz CCNWLYFDSKISCV-UHFFFAOYSA-N 1 2 285.347 1.701 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2sc(C)nc2C)CC1 ZINC000949384413 613710019 /nfs/dbraw/zinc/71/00/19/613710019.db2.gz HKBFDIMZVXQOND-UHFFFAOYSA-N 1 2 279.409 1.633 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCc3cccnc32)CC1 ZINC000949899669 613713205 /nfs/dbraw/zinc/71/32/05/613713205.db2.gz IKOATSMBUZKHSV-AWEZNQCLSA-N 1 2 271.364 1.442 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c(C3CC3)cnn2C)CC1 ZINC000948692821 613713774 /nfs/dbraw/zinc/71/37/74/613713774.db2.gz CJWIPWIIZKIMPP-UHFFFAOYSA-N 1 2 274.368 1.241 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C(C)(C)C)n[nH]2)CC1 ZINC000949062955 613714458 /nfs/dbraw/zinc/71/44/58/613714458.db2.gz FOMKDCODYVUJDN-UHFFFAOYSA-N 1 2 276.384 1.651 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C(C)C)[nH]c2=O)CC1 ZINC000951361033 613715782 /nfs/dbraw/zinc/71/57/82/613715782.db2.gz OFZOCRNPDYAZGH-UHFFFAOYSA-N 1 2 289.379 1.854 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc[nH]c2C2CC2)CC1 ZINC000949894615 613715809 /nfs/dbraw/zinc/71/58/09/613715809.db2.gz CNBYYDRKDQZVFO-UHFFFAOYSA-N 1 2 259.353 1.836 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccn(C)c3)C2)C1 ZINC000972340237 613724323 /nfs/dbraw/zinc/72/43/23/613724323.db2.gz VMKUQRNXIPIEMG-INIZCTEOSA-N 1 2 289.379 1.128 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccn(C)c3)C2)C1 ZINC000972340237 613724325 /nfs/dbraw/zinc/72/43/25/613724325.db2.gz VMKUQRNXIPIEMG-INIZCTEOSA-N 1 2 289.379 1.128 20 30 CDEDLO C[C@@H](O)CN(C)N=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000841652004 617496917 /nfs/dbraw/zinc/49/69/17/617496917.db2.gz CFRZXNPQGGVEJT-GFCCVEGCSA-N 1 2 258.325 1.519 20 30 CDEDLO CCc1nocc1C[N@@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC000980848512 615864186 /nfs/dbraw/zinc/86/41/86/615864186.db2.gz ZGXVRWAIQDBYJR-LBPRGKRZSA-N 1 2 290.367 1.431 20 30 CDEDLO CCc1nocc1C[N@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC000980848512 615864188 /nfs/dbraw/zinc/86/41/88/615864188.db2.gz ZGXVRWAIQDBYJR-LBPRGKRZSA-N 1 2 290.367 1.431 20 30 CDEDLO C[C@@H]([NH2+]CC#Cc1ccccc1)c1nnc2n1CCC2 ZINC000893396956 617802047 /nfs/dbraw/zinc/80/20/47/617802047.db2.gz NJBSBRQLLFDQOU-CYBMUJFWSA-N 1 2 266.348 1.927 20 30 CDEDLO C#C[C@H]([NH2+]Cc1c(Cl)c(C)nn1C)[C@H]1CCCO1 ZINC000893676875 617829738 /nfs/dbraw/zinc/82/97/38/617829738.db2.gz PDMZXJFQZFGFES-CMPLNLGQSA-N 1 2 267.760 1.652 20 30 CDEDLO C#CC[C@@H]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000888143831 620768927 /nfs/dbraw/zinc/76/89/27/620768927.db2.gz JRONGOSSIAVPPR-CQSZACIVSA-N 1 2 293.411 1.152 20 30 CDEDLO C#CC[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000888143831 620768931 /nfs/dbraw/zinc/76/89/31/620768931.db2.gz JRONGOSSIAVPPR-CQSZACIVSA-N 1 2 293.411 1.152 20 30 CDEDLO O=C(NO)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000782172328 618048662 /nfs/dbraw/zinc/04/86/62/618048662.db2.gz QTRMPZRGDKVUCI-GFCCVEGCSA-N 1 2 252.289 1.686 20 30 CDEDLO O=C(NO)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000782172328 618048667 /nfs/dbraw/zinc/04/86/67/618048667.db2.gz QTRMPZRGDKVUCI-GFCCVEGCSA-N 1 2 252.289 1.686 20 30 CDEDLO CCn1c[nH+]c2c1CCN(c1ccc(C#N)c(N)n1)C2 ZINC000896655439 620184927 /nfs/dbraw/zinc/18/49/27/620184927.db2.gz XYHPIGUHLIXDRB-UHFFFAOYSA-N 1 2 268.324 1.315 20 30 CDEDLO C=CCOc1cccnc1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896913281 620303206 /nfs/dbraw/zinc/30/32/06/620303206.db2.gz QDXZOWJSALIAOE-UHFFFAOYSA-N 1 2 286.335 1.916 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)cc1 ZINC000898192299 621387322 /nfs/dbraw/zinc/38/73/22/621387322.db2.gz IDTITMXIGHWCCF-HUUCEWRRSA-N 1 2 263.312 1.603 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)cc1 ZINC000898192299 621387328 /nfs/dbraw/zinc/38/73/28/621387328.db2.gz IDTITMXIGHWCCF-HUUCEWRRSA-N 1 2 263.312 1.603 20 30 CDEDLO CC[C@H](C#N)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000900471076 623109323 /nfs/dbraw/zinc/10/93/23/623109323.db2.gz GDKFPFHXQVEKSD-BXKDBHETSA-N 1 2 261.329 1.208 20 30 CDEDLO CC[C@H](C#N)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000900471076 623109342 /nfs/dbraw/zinc/10/93/42/623109342.db2.gz GDKFPFHXQVEKSD-BXKDBHETSA-N 1 2 261.329 1.208 20 30 CDEDLO Cc1[nH]c(CNC(=O)C#Cc2ccc3c(c2)OCO3)[nH+]c1C ZINC000900997723 623813844 /nfs/dbraw/zinc/81/38/44/623813844.db2.gz NPEQZMUWFYLGEP-UHFFFAOYSA-N 1 2 297.314 1.423 20 30 CDEDLO Cn1ccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)n1 ZINC000901543811 624341639 /nfs/dbraw/zinc/34/16/39/624341639.db2.gz QBLVQYBBJNATHL-SNAWJCMRSA-N 1 2 276.365 1.834 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2nnc(C(C)(C)C)o2)C1 ZINC000902729724 625277806 /nfs/dbraw/zinc/27/78/06/625277806.db2.gz MHHDHIJSOTXVNB-NSHDSACASA-N 1 2 290.367 1.195 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2nnc(C(C)(C)C)o2)C1 ZINC000902729724 625277814 /nfs/dbraw/zinc/27/78/14/625277814.db2.gz MHHDHIJSOTXVNB-NSHDSACASA-N 1 2 290.367 1.195 20 30 CDEDLO CCCCN(O)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000904210323 626214366 /nfs/dbraw/zinc/21/43/66/626214366.db2.gz LRNJXLBTKWNQSO-HNNXBMFYSA-N 1 2 292.379 1.905 20 30 CDEDLO CCCCN(O)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000904210323 626214367 /nfs/dbraw/zinc/21/43/67/626214367.db2.gz LRNJXLBTKWNQSO-HNNXBMFYSA-N 1 2 292.379 1.905 20 30 CDEDLO C=CCC[C@@H]1CCCN1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000911980347 629676541 /nfs/dbraw/zinc/67/65/41/629676541.db2.gz AELAQKXGZQHRKZ-LSDHHAIUSA-N 1 2 295.427 1.847 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2conc2C(C)C)C1 ZINC000923595382 630642181 /nfs/dbraw/zinc/64/21/81/630642181.db2.gz UHLSYCSWNPFNET-LBPRGKRZSA-N 1 2 275.352 1.625 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2conc2C(C)C)C1 ZINC000923595382 630642185 /nfs/dbraw/zinc/64/21/85/630642185.db2.gz UHLSYCSWNPFNET-LBPRGKRZSA-N 1 2 275.352 1.625 20 30 CDEDLO C#CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)C(C)C ZINC000917015156 632126309 /nfs/dbraw/zinc/12/63/09/632126309.db2.gz FEAFIOZZVWCSNC-KBPBESRZSA-N 1 2 281.400 1.149 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cnccn1 ZINC001717464648 1158475240 /nfs/dbraw/zinc/47/52/40/1158475240.db2.gz FZAKMAAJLJKEMZ-SNVBAGLBSA-N 1 2 268.748 1.279 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cnccn1 ZINC001717464648 1158475242 /nfs/dbraw/zinc/47/52/42/1158475242.db2.gz FZAKMAAJLJKEMZ-SNVBAGLBSA-N 1 2 268.748 1.279 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(CC)o3)C[C@H]21 ZINC001114004870 1162400145 /nfs/dbraw/zinc/40/01/45/1162400145.db2.gz LZBRPYYNYOJUMY-VIKVFOODSA-N 1 2 289.379 1.750 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(CC)o3)C[C@H]21 ZINC001114004870 1162400146 /nfs/dbraw/zinc/40/01/46/1162400146.db2.gz LZBRPYYNYOJUMY-VIKVFOODSA-N 1 2 289.379 1.750 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)/C=C(/C)CC)C2)C1 ZINC001755401691 1160144716 /nfs/dbraw/zinc/14/47/16/1160144716.db2.gz UVIBONDBOJCPMQ-KSVUCXBSSA-N 1 2 290.407 1.669 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)/C=C(/C)CC)C2)C1 ZINC001755401691 1160144718 /nfs/dbraw/zinc/14/47/18/1160144718.db2.gz UVIBONDBOJCPMQ-KSVUCXBSSA-N 1 2 290.407 1.669 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(CC)ccn1 ZINC001085612965 1161948267 /nfs/dbraw/zinc/94/82/67/1161948267.db2.gz FDJXMPUIEKILAX-CQSZACIVSA-N 1 2 271.364 1.424 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(CC)ccn1 ZINC001085612965 1161948273 /nfs/dbraw/zinc/94/82/73/1161948273.db2.gz FDJXMPUIEKILAX-CQSZACIVSA-N 1 2 271.364 1.424 20 30 CDEDLO Cc1nc(N[C@@H](C)[C@H](C)NC(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001112994412 1162063006 /nfs/dbraw/zinc/06/30/06/1162063006.db2.gz WLXRMOQDJBAABC-UWVGGRQHSA-N 1 2 298.350 1.604 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](CCC)OCC)CC1 ZINC001113235308 1162134951 /nfs/dbraw/zinc/13/49/51/1162134951.db2.gz WPNBUSVKXLGWIY-AWEZNQCLSA-N 1 2 268.401 1.912 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)N(C)CC(F)(F)F)CC1 ZINC001113257464 1162138955 /nfs/dbraw/zinc/13/89/55/1162138955.db2.gz WANIWIKFAJZASC-NSHDSACASA-N 1 2 293.333 1.199 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001132395747 1163265897 /nfs/dbraw/zinc/26/58/97/1163265897.db2.gz NOXQDJOTCVPQJD-UHFFFAOYSA-N 1 2 294.399 1.785 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001133145411 1163588776 /nfs/dbraw/zinc/58/87/76/1163588776.db2.gz XYPJUHKLONNAQU-SNVBAGLBSA-N 1 2 266.345 1.501 20 30 CDEDLO C=CCCC1(C(=O)NCC[NH2+]Cc2ncccn2)CC1 ZINC001133375672 1163659877 /nfs/dbraw/zinc/65/98/77/1163659877.db2.gz DAAZWKCUBRGBIF-UHFFFAOYSA-N 1 2 274.368 1.429 20 30 CDEDLO Cc1cc(N(C)C)nc(-c2ccc(N)c(C#N)c2)[nH+]1 ZINC001244112089 1167407092 /nfs/dbraw/zinc/40/70/92/1167407092.db2.gz JXADTBZSNHCYNC-UHFFFAOYSA-N 1 2 253.309 1.972 20 30 CDEDLO Cc1cc(C)c(C#N)c(NC(=O)c2cc(C[NH+](C)C)on2)n1 ZINC001647544587 1168804438 /nfs/dbraw/zinc/80/44/38/1168804438.db2.gz GDRYVUXLXNBJTE-UHFFFAOYSA-N 1 2 299.334 1.872 20 30 CDEDLO C=C[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001588515911 1173072809 /nfs/dbraw/zinc/07/28/09/1173072809.db2.gz KQLIITJXKAEDIZ-RKDXNWHRSA-N 1 2 259.313 1.797 20 30 CDEDLO NC(=[NH+]OCc1nc(C2CC2)no1)c1ccccc1 ZINC000172411403 1181309792 /nfs/dbraw/zinc/30/97/92/1181309792.db2.gz VQQWOVDVNKEQDA-UHFFFAOYSA-N 1 2 258.281 1.784 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@H]1CNCC#N ZINC001733921611 1183569225 /nfs/dbraw/zinc/56/92/25/1183569225.db2.gz CIWZVJPNTHVUAE-OCCSQVGLSA-N 1 2 289.383 1.083 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@H]1CNCC#N ZINC001733921611 1183569227 /nfs/dbraw/zinc/56/92/27/1183569227.db2.gz CIWZVJPNTHVUAE-OCCSQVGLSA-N 1 2 289.383 1.083 20 30 CDEDLO COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC1CC1 ZINC001752531707 1184877261 /nfs/dbraw/zinc/87/72/61/1184877261.db2.gz IWNDFAGZDFPQIW-IYBDPMFKSA-N 1 2 290.407 1.502 20 30 CDEDLO COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC1CC1 ZINC001752531707 1184877266 /nfs/dbraw/zinc/87/72/66/1184877266.db2.gz IWNDFAGZDFPQIW-IYBDPMFKSA-N 1 2 290.407 1.502 20 30 CDEDLO CC[C@H](CNC(=O)C#CC(C)C)[NH2+]Cc1nnc(C)o1 ZINC001753470998 1185225083 /nfs/dbraw/zinc/22/50/83/1185225083.db2.gz CZSYGGHPOUVIBH-GFCCVEGCSA-N 1 2 278.356 1.022 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NC/C=C\C[NH2+]Cc1nnc(C)o1 ZINC001754166375 1185490283 /nfs/dbraw/zinc/49/02/83/1185490283.db2.gz KMNZLWDCBXKMDW-ZPIQOJFGSA-N 1 2 292.383 1.742 20 30 CDEDLO C=CCCCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccon2)C1 ZINC001754754866 1185724241 /nfs/dbraw/zinc/72/42/41/1185724241.db2.gz QEADUCACOZLWGQ-OAHLLOKOSA-N 1 2 293.367 1.084 20 30 CDEDLO C=CCCCC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccon2)C1 ZINC001754754866 1185724246 /nfs/dbraw/zinc/72/42/46/1185724246.db2.gz QEADUCACOZLWGQ-OAHLLOKOSA-N 1 2 293.367 1.084 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H](F)C(C)C ZINC001754970590 1185774655 /nfs/dbraw/zinc/77/46/55/1185774655.db2.gz VZDWSAGCAGBMHE-OLZOCXBDSA-N 1 2 272.364 1.374 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H](F)C(C)C ZINC001754970590 1185774661 /nfs/dbraw/zinc/77/46/61/1185774661.db2.gz VZDWSAGCAGBMHE-OLZOCXBDSA-N 1 2 272.364 1.374 20 30 CDEDLO C=CC(C)(C)C(=O)NCC1([NH2+]Cc2nc(C)no2)CCC1 ZINC001754984865 1185779407 /nfs/dbraw/zinc/77/94/07/1185779407.db2.gz ZXFJBKCESOTNEJ-UHFFFAOYSA-N 1 2 292.383 1.719 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)/C=C(\C)CC)CO2 ZINC001755061608 1185803085 /nfs/dbraw/zinc/80/30/85/1185803085.db2.gz MWIRSQAKBBKVAC-YGLIYXGISA-N 1 2 278.396 1.878 20 30 CDEDLO CC(C)=CC[NH+]1CC(CCO)(NC(=O)C#CC(C)C)C1 ZINC001755331053 1185921248 /nfs/dbraw/zinc/92/12/48/1185921248.db2.gz BODYCLBSASHPGN-UHFFFAOYSA-N 1 2 278.396 1.165 20 30 CDEDLO CC[N@H+](Cc1ccc(OCC#N)cc1)[C@@H](C)C(=O)OC ZINC001137123763 1166064472 /nfs/dbraw/zinc/06/44/72/1166064472.db2.gz BBWQTFIFLSIIHA-LBPRGKRZSA-N 1 2 276.336 1.972 20 30 CDEDLO CC[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H](C)C(=O)OC ZINC001137123763 1166064479 /nfs/dbraw/zinc/06/44/79/1166064479.db2.gz BBWQTFIFLSIIHA-LBPRGKRZSA-N 1 2 276.336 1.972 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccn2c1CCCC2 ZINC001038353314 832305311 /nfs/dbraw/zinc/30/53/11/832305311.db2.gz QYMZYVFBGOVZJJ-ZDUSSCGKSA-N 1 2 271.364 1.262 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn2c1CCCC2 ZINC001038353314 832305324 /nfs/dbraw/zinc/30/53/24/832305324.db2.gz QYMZYVFBGOVZJJ-ZDUSSCGKSA-N 1 2 271.364 1.262 20 30 CDEDLO CCCn1cc(C[NH2+]Cc2ccc(OC)c(C#N)c2)nn1 ZINC000865506037 833027493 /nfs/dbraw/zinc/02/74/93/833027493.db2.gz LWUSYBQNFRYUCS-UHFFFAOYSA-N 1 2 285.351 1.858 20 30 CDEDLO N#Cc1ccccc1/C=C\C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779094854 833036469 /nfs/dbraw/zinc/03/64/69/833036469.db2.gz FVCUYYBWBZSGDD-YVACAVLKSA-N 1 2 292.342 1.899 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2cccnc21 ZINC001038621816 833039247 /nfs/dbraw/zinc/03/92/47/833039247.db2.gz GZXKLLMUFMUCFZ-HZPDHXFCSA-N 1 2 297.402 1.715 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2cccnc21 ZINC001038621816 833039253 /nfs/dbraw/zinc/03/92/53/833039253.db2.gz GZXKLLMUFMUCFZ-HZPDHXFCSA-N 1 2 297.402 1.715 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)C(=O)C(C)(C)C)C2)C1 ZINC001072556476 833044872 /nfs/dbraw/zinc/04/48/72/833044872.db2.gz LEJVFMIXHXXBJY-UHFFFAOYSA-N 1 2 298.814 1.888 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C(=O)C(C)(C)C)C2)C1 ZINC001072556476 833044878 /nfs/dbraw/zinc/04/48/78/833044878.db2.gz LEJVFMIXHXXBJY-UHFFFAOYSA-N 1 2 298.814 1.888 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC(C)C)nc1 ZINC001032434576 833057251 /nfs/dbraw/zinc/05/72/51/833057251.db2.gz MQZDCGHCFVIJKW-GJZGRUSLSA-N 1 2 299.374 1.401 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC(C)C)nc1 ZINC001032434576 833057261 /nfs/dbraw/zinc/05/72/61/833057261.db2.gz MQZDCGHCFVIJKW-GJZGRUSLSA-N 1 2 299.374 1.401 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]cc1C ZINC001018272003 833082855 /nfs/dbraw/zinc/08/28/55/833082855.db2.gz CECRNYBRROMJAB-BETUJISGSA-N 1 2 257.337 1.245 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]cc1C ZINC001018272003 833082869 /nfs/dbraw/zinc/08/28/69/833082869.db2.gz CECRNYBRROMJAB-BETUJISGSA-N 1 2 257.337 1.245 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(CC(C)C)c1C ZINC001038976165 833127730 /nfs/dbraw/zinc/12/77/30/833127730.db2.gz NNODTXQMHMUEEY-AWEZNQCLSA-N 1 2 288.395 1.285 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(CC(C)C)c1C ZINC001038976165 833127751 /nfs/dbraw/zinc/12/77/51/833127751.db2.gz NNODTXQMHMUEEY-AWEZNQCLSA-N 1 2 288.395 1.285 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)Cc2noc3ccccc23)C1 ZINC001043259240 833168280 /nfs/dbraw/zinc/16/82/80/833168280.db2.gz XCGHXCWTROJJRP-UHFFFAOYSA-N 1 2 297.358 1.536 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2n(n1)CCC2 ZINC001017602728 833176039 /nfs/dbraw/zinc/17/60/39/833176039.db2.gz AMRVDOOQKIBSHR-GASCZTMLSA-N 1 2 298.390 1.141 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2n(n1)CCC2 ZINC001017602728 833176066 /nfs/dbraw/zinc/17/60/66/833176066.db2.gz AMRVDOOQKIBSHR-GASCZTMLSA-N 1 2 298.390 1.141 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001043131860 833225569 /nfs/dbraw/zinc/22/55/69/833225569.db2.gz AVPGQBVQMVRPJK-CYBMUJFWSA-N 1 2 288.395 1.164 20 30 CDEDLO CCN(CC)c1ccnc(N=NCc2c[nH+]c3n2CCC3)n1 ZINC000853318256 833271115 /nfs/dbraw/zinc/27/11/15/833271115.db2.gz NJOHUGCKWXKBTC-UHFFFAOYSA-N 1 2 299.382 1.912 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2cc(C)nc3n[nH]c(C)c32)C1 ZINC001044049608 833281704 /nfs/dbraw/zinc/28/17/04/833281704.db2.gz ZWTABGVZBWBNCL-UHFFFAOYSA-N 1 2 299.378 1.517 20 30 CDEDLO CC[N@@H+]1CC[C@H]1C/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000887270737 833307753 /nfs/dbraw/zinc/30/77/53/833307753.db2.gz SNMOCPJEEVNXBG-ACLQVGRQSA-N 1 2 263.297 1.814 20 30 CDEDLO CC[N@H+]1CC[C@H]1C/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000887270737 833307756 /nfs/dbraw/zinc/30/77/56/833307756.db2.gz SNMOCPJEEVNXBG-ACLQVGRQSA-N 1 2 263.297 1.814 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCO[C@@H](C(C)C)C2)C1 ZINC001044142701 828852076 /nfs/dbraw/zinc/85/20/76/828852076.db2.gz PXPIZJIJFPXVOC-DZGCQCFKSA-N 1 2 280.412 1.766 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1F ZINC001018231660 828854066 /nfs/dbraw/zinc/85/40/66/828854066.db2.gz OTIXAYFIOFNRGG-GASCZTMLSA-N 1 2 286.350 1.677 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1F ZINC001018231660 828854067 /nfs/dbraw/zinc/85/40/67/828854067.db2.gz OTIXAYFIOFNRGG-GASCZTMLSA-N 1 2 286.350 1.677 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)nn(CCC)c1C ZINC001038895929 828867399 /nfs/dbraw/zinc/86/73/99/828867399.db2.gz WZYLMBOKUVHBTG-AWEZNQCLSA-N 1 2 288.395 1.347 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)nn(CCC)c1C ZINC001038895929 828867403 /nfs/dbraw/zinc/86/74/03/828867403.db2.gz WZYLMBOKUVHBTG-AWEZNQCLSA-N 1 2 288.395 1.347 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)sn1 ZINC001050890197 828869401 /nfs/dbraw/zinc/86/94/01/828869401.db2.gz CXZYZJXHLLCNOP-LBPRGKRZSA-N 1 2 295.408 1.458 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)sn1 ZINC001050890197 828869403 /nfs/dbraw/zinc/86/94/03/828869403.db2.gz CXZYZJXHLLCNOP-LBPRGKRZSA-N 1 2 295.408 1.458 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccn1CC=C ZINC001017621832 828872964 /nfs/dbraw/zinc/87/29/64/828872964.db2.gz ZKUYHAGGQYHGQV-GASCZTMLSA-N 1 2 283.375 1.596 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccn1CC=C ZINC001017621832 828872965 /nfs/dbraw/zinc/87/29/65/828872965.db2.gz ZKUYHAGGQYHGQV-GASCZTMLSA-N 1 2 283.375 1.596 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c(C)n2)C1 ZINC001032959648 828875715 /nfs/dbraw/zinc/87/57/15/828875715.db2.gz HGIIUFBVCJPEHG-LLVKDONJSA-N 1 2 282.775 1.617 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c(C)n2)C1 ZINC001032959648 828875717 /nfs/dbraw/zinc/87/57/17/828875717.db2.gz HGIIUFBVCJPEHG-LLVKDONJSA-N 1 2 282.775 1.617 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCCOC2)C1 ZINC001015911729 828876144 /nfs/dbraw/zinc/87/61/44/828876144.db2.gz SVTVPVDJRPDJTR-OCCSQVGLSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCCOC2)C1 ZINC001015911729 828876145 /nfs/dbraw/zinc/87/61/45/828876145.db2.gz SVTVPVDJRPDJTR-OCCSQVGLSA-N 1 2 286.803 1.746 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000191524092 828879787 /nfs/dbraw/zinc/87/97/87/828879787.db2.gz BHESIEYOEZXLMI-DZGCQCFKSA-N 1 2 275.348 1.280 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000191524092 828879788 /nfs/dbraw/zinc/87/97/88/828879788.db2.gz BHESIEYOEZXLMI-DZGCQCFKSA-N 1 2 275.348 1.280 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C(F)=C(C)C)C[C@H]21 ZINC001074211896 828892083 /nfs/dbraw/zinc/89/20/83/828892083.db2.gz HAOPUURSZIHTPR-KGLIPLIRSA-N 1 2 294.370 1.575 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(F)=C(C)C)C[C@H]21 ZINC001074211896 828892086 /nfs/dbraw/zinc/89/20/86/828892086.db2.gz HAOPUURSZIHTPR-KGLIPLIRSA-N 1 2 294.370 1.575 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc2ccccc21 ZINC001032799769 828894135 /nfs/dbraw/zinc/89/41/35/828894135.db2.gz LJHCFKSFJUTHBB-GJZGRUSLSA-N 1 2 291.354 1.767 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc2ccccc21 ZINC001032799769 828894136 /nfs/dbraw/zinc/89/41/36/828894136.db2.gz LJHCFKSFJUTHBB-GJZGRUSLSA-N 1 2 291.354 1.767 20 30 CDEDLO C#CC[C@@H](NCc1c[nH+]c(C)n1-c1ccccc1)C(=O)OC ZINC000839167275 833336602 /nfs/dbraw/zinc/33/66/02/833336602.db2.gz VCAYCOCVDNWSRP-MRXNPFEDSA-N 1 2 297.358 1.835 20 30 CDEDLO CC(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031502981 829004877 /nfs/dbraw/zinc/00/48/77/829004877.db2.gz QRAQCFAZOWDBRJ-UHFFFAOYSA-N 1 2 261.300 1.265 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001015079400 829011254 /nfs/dbraw/zinc/01/12/54/829011254.db2.gz XVCGNOZRVQFQCS-NSHDSACASA-N 1 2 274.368 1.279 20 30 CDEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001015079400 829011258 /nfs/dbraw/zinc/01/12/58/829011258.db2.gz XVCGNOZRVQFQCS-NSHDSACASA-N 1 2 274.368 1.279 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925597998 833352365 /nfs/dbraw/zinc/35/23/65/833352365.db2.gz RYSIGVRPMNQMOT-CABCVRRESA-N 1 2 295.427 1.847 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cn3ccc(C)cc3n2)C1 ZINC001043245997 833355632 /nfs/dbraw/zinc/35/56/32/833355632.db2.gz FETLLSVMGZJGLZ-UHFFFAOYSA-N 1 2 296.374 1.422 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccccc2-n2ccnn2)C1 ZINC001031486847 829109063 /nfs/dbraw/zinc/10/90/63/829109063.db2.gz NCLAWWODQOOBSI-UHFFFAOYSA-N 1 2 297.362 1.257 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001007134707 833368170 /nfs/dbraw/zinc/36/81/70/833368170.db2.gz OXGQAHGEYKUMRQ-GFCCVEGCSA-N 1 2 292.770 1.833 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001007134707 833368176 /nfs/dbraw/zinc/36/81/76/833368176.db2.gz OXGQAHGEYKUMRQ-GFCCVEGCSA-N 1 2 292.770 1.833 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)c1cccnc1 ZINC001032489324 833370707 /nfs/dbraw/zinc/37/07/07/833370707.db2.gz KYAAKKAHYQDHOQ-HOTGVXAUSA-N 1 2 297.402 1.668 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)c1cccnc1 ZINC001032489324 833370710 /nfs/dbraw/zinc/37/07/10/833370710.db2.gz KYAAKKAHYQDHOQ-HOTGVXAUSA-N 1 2 297.402 1.668 20 30 CDEDLO N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049527224 833377856 /nfs/dbraw/zinc/37/78/56/833377856.db2.gz NTMVFJKWMIYOIT-QHSBEEBCSA-N 1 2 299.378 1.102 20 30 CDEDLO N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049527224 833377859 /nfs/dbraw/zinc/37/78/59/833377859.db2.gz NTMVFJKWMIYOIT-QHSBEEBCSA-N 1 2 299.378 1.102 20 30 CDEDLO C#C[C@H](NC(=O)c1cccc2[nH+]ccn21)[C@H]1CCCO1 ZINC000775325727 829250045 /nfs/dbraw/zinc/25/00/45/829250045.db2.gz CITDZNAYDGSPSU-WCQYABFASA-N 1 2 269.304 1.245 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)cc1OC ZINC001038960883 829269759 /nfs/dbraw/zinc/26/97/59/829269759.db2.gz MGSGNXRUMQULAI-GFCCVEGCSA-N 1 2 288.347 1.141 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)cc1OC ZINC001038960883 829269774 /nfs/dbraw/zinc/26/97/74/829269774.db2.gz MGSGNXRUMQULAI-GFCCVEGCSA-N 1 2 288.347 1.141 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC23CCOCC3)C1 ZINC001031493788 829279143 /nfs/dbraw/zinc/27/91/43/829279143.db2.gz GYGNIJFNEIAALA-CYBMUJFWSA-N 1 2 264.369 1.180 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc(OCC)c1 ZINC001032806256 829295781 /nfs/dbraw/zinc/29/57/81/829295781.db2.gz ISMJSPXUKCCOMY-HOTGVXAUSA-N 1 2 298.386 1.546 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc(OCC)c1 ZINC001032806256 829295797 /nfs/dbraw/zinc/29/57/97/829295797.db2.gz ISMJSPXUKCCOMY-HOTGVXAUSA-N 1 2 298.386 1.546 20 30 CDEDLO Cc1nc(NC[C@]2(C)CCN(C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001065426851 833390764 /nfs/dbraw/zinc/39/07/64/833390764.db2.gz FQNICHGJFBEUML-KRWDZBQOSA-N 1 2 298.390 1.849 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2onc(C)c2c1 ZINC001038571677 829354358 /nfs/dbraw/zinc/35/43/58/829354358.db2.gz IJIVQWMAHNTMJS-ZDUSSCGKSA-N 1 2 298.346 1.359 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2onc(C)c2c1 ZINC001038571677 829354369 /nfs/dbraw/zinc/35/43/69/829354369.db2.gz IJIVQWMAHNTMJS-ZDUSSCGKSA-N 1 2 298.346 1.359 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3nocc3C)cc2C1 ZINC001054289053 829355736 /nfs/dbraw/zinc/35/57/36/829355736.db2.gz RZSYZPGSOGZFRP-UHFFFAOYSA-N 1 2 295.342 1.862 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3nocc3C)cc2C1 ZINC001054289053 829355748 /nfs/dbraw/zinc/35/57/48/829355748.db2.gz RZSYZPGSOGZFRP-UHFFFAOYSA-N 1 2 295.342 1.862 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCCO[C@@H]2CC)C1 ZINC001042885971 833397884 /nfs/dbraw/zinc/39/78/84/833397884.db2.gz XMBSHPQEGTYEFU-UONOGXRCSA-N 1 2 266.385 1.520 20 30 CDEDLO C#C[C@H](NC(=O)NCc1c[nH+]c(C)cc1C)[C@@H]1CCCO1 ZINC000836408924 829368024 /nfs/dbraw/zinc/36/80/24/829368024.db2.gz OTAGKOAITFQRJO-GJZGRUSLSA-N 1 2 287.363 1.678 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2ncc[nH]2)CC[C@H]1C ZINC001071934494 833401114 /nfs/dbraw/zinc/40/11/14/833401114.db2.gz NGQXFUROMVWMCU-VXGBXAGGSA-N 1 2 296.802 1.674 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2ncc[nH]2)CC[C@H]1C ZINC001071934494 833401115 /nfs/dbraw/zinc/40/11/15/833401115.db2.gz NGQXFUROMVWMCU-VXGBXAGGSA-N 1 2 296.802 1.674 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC(OC)C2)C1 ZINC001014857471 829480714 /nfs/dbraw/zinc/48/07/14/829480714.db2.gz VRJGMVRILFTBOA-CXQJBGSLSA-N 1 2 272.776 1.354 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC(OC)C2)C1 ZINC001014857471 829480743 /nfs/dbraw/zinc/48/07/43/829480743.db2.gz VRJGMVRILFTBOA-CXQJBGSLSA-N 1 2 272.776 1.354 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C(C)C)cc1 ZINC000093055159 829496937 /nfs/dbraw/zinc/49/69/37/829496937.db2.gz BCSIDQSLRMCFIS-INIZCTEOSA-N 1 2 286.375 1.655 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCNC(=O)[C@@H]2C(C)C)cc1 ZINC000093055159 829496970 /nfs/dbraw/zinc/49/69/70/829496970.db2.gz BCSIDQSLRMCFIS-INIZCTEOSA-N 1 2 286.375 1.655 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccc(OC)cc2F)C1 ZINC001044128222 829612077 /nfs/dbraw/zinc/61/20/77/829612077.db2.gz KTHIHMDQTPHXMG-UHFFFAOYSA-N 1 2 292.354 1.705 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2scnc2C)C1 ZINC001035297466 829626760 /nfs/dbraw/zinc/62/67/60/829626760.db2.gz BOOIZXAOGVCASW-GFCCVEGCSA-N 1 2 295.408 1.458 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2scnc2C)C1 ZINC001035297466 829626772 /nfs/dbraw/zinc/62/67/72/829626772.db2.gz BOOIZXAOGVCASW-GFCCVEGCSA-N 1 2 295.408 1.458 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001031088154 829678107 /nfs/dbraw/zinc/67/81/07/829678107.db2.gz LWWZWOBORSFILA-STQMWFEESA-N 1 2 270.348 1.128 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@H]2CC[C@H](C3CC3)O2)nn1 ZINC000887470509 833440922 /nfs/dbraw/zinc/44/09/22/833440922.db2.gz QVPSIYDISXFXRA-HUUCEWRRSA-N 1 2 274.368 1.349 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867233601 829716172 /nfs/dbraw/zinc/71/61/72/829716172.db2.gz VWEMIEIIQUCGBW-IQCBXXCUSA-N 1 2 266.385 1.736 20 30 CDEDLO Cn1[nH]c(=O)c2c1C[N@H+](Cc1cccc(C#N)c1F)CC2 ZINC000931195330 829811294 /nfs/dbraw/zinc/81/12/94/829811294.db2.gz WVLUXVDZOCBOIO-UHFFFAOYSA-N 1 2 286.310 1.695 20 30 CDEDLO Cn1[nH]c(=O)c2c1C[N@@H+](Cc1cccc(C#N)c1F)CC2 ZINC000931195330 829811295 /nfs/dbraw/zinc/81/12/95/829811295.db2.gz WVLUXVDZOCBOIO-UHFFFAOYSA-N 1 2 286.310 1.695 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)n2cnc3ccccc32)C1 ZINC001031195273 829822140 /nfs/dbraw/zinc/82/21/40/829822140.db2.gz CFVBHCBVTYFDCY-CYBMUJFWSA-N 1 2 298.390 1.974 20 30 CDEDLO CC(C)C#CC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000830106588 829837597 /nfs/dbraw/zinc/83/75/97/829837597.db2.gz ISPMBGLCIDUMDM-KGLIPLIRSA-N 1 2 259.353 1.952 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc(C)c1C ZINC001027797680 829838920 /nfs/dbraw/zinc/83/89/20/829838920.db2.gz SJQUBLDAPZXBHU-CYBMUJFWSA-N 1 2 274.368 1.244 20 30 CDEDLO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc(C)c1C ZINC001027797680 829838921 /nfs/dbraw/zinc/83/89/21/829838921.db2.gz SJQUBLDAPZXBHU-CYBMUJFWSA-N 1 2 274.368 1.244 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccnc2cc(C)nn21 ZINC000856465424 829851330 /nfs/dbraw/zinc/85/13/30/829851330.db2.gz STJRCUKYAWCGBU-LBPRGKRZSA-N 1 2 283.335 1.074 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccnc2cc(C)nn21 ZINC000856465424 829851332 /nfs/dbraw/zinc/85/13/32/829851332.db2.gz STJRCUKYAWCGBU-LBPRGKRZSA-N 1 2 283.335 1.074 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C2CC(C)(C)C2)C1 ZINC001035359782 829885376 /nfs/dbraw/zinc/88/53/76/829885376.db2.gz WZIQGLPXLKLEKS-CQSZACIVSA-N 1 2 280.412 1.816 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C2CC(C)(C)C2)C1 ZINC001035359782 829885380 /nfs/dbraw/zinc/88/53/80/829885380.db2.gz WZIQGLPXLKLEKS-CQSZACIVSA-N 1 2 280.412 1.816 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001032752537 829885597 /nfs/dbraw/zinc/88/55/97/829885597.db2.gz PMHPYHGMNNHHJW-SOUVJXGZSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001032752537 829885600 /nfs/dbraw/zinc/88/56/00/829885600.db2.gz PMHPYHGMNNHHJW-SOUVJXGZSA-N 1 2 290.407 1.500 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(C)c(OC)c2)C1 ZINC001030638096 833587649 /nfs/dbraw/zinc/58/76/49/833587649.db2.gz PBRCHYQNNYFPEI-UHFFFAOYSA-N 1 2 274.364 1.994 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(C)=O)C[C@@H](C)O2 ZINC001071107872 833561183 /nfs/dbraw/zinc/56/11/83/833561183.db2.gz QZWSSUSRXLSJLW-DGCLKSJQSA-N 1 2 272.776 1.451 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(C)=O)C[C@@H](C)O2 ZINC001071107872 833561192 /nfs/dbraw/zinc/56/11/92/833561192.db2.gz QZWSSUSRXLSJLW-DGCLKSJQSA-N 1 2 272.776 1.451 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000923223625 833583303 /nfs/dbraw/zinc/58/33/03/833583303.db2.gz YSCOGIJTDUZVPE-KBPBESRZSA-N 1 2 281.400 1.198 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1F ZINC001038792126 830017521 /nfs/dbraw/zinc/01/75/21/830017521.db2.gz MMYODWFBKWZSAV-VHDGCEQUSA-N 1 2 286.350 1.753 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1F ZINC001038792126 830017532 /nfs/dbraw/zinc/01/75/32/830017532.db2.gz MMYODWFBKWZSAV-VHDGCEQUSA-N 1 2 286.350 1.753 20 30 CDEDLO CC#CC[N@@H+]1C[C@H](NC(=O)c2[nH]nc(C)c2C)CC[C@H]1C ZINC001071396940 830053058 /nfs/dbraw/zinc/05/30/58/830053058.db2.gz SZDREUOFQGINCG-BXUZGUMPSA-N 1 2 288.395 1.633 20 30 CDEDLO CC#CC[N@H+]1C[C@H](NC(=O)c2[nH]nc(C)c2C)CC[C@H]1C ZINC001071396940 830053068 /nfs/dbraw/zinc/05/30/68/830053068.db2.gz SZDREUOFQGINCG-BXUZGUMPSA-N 1 2 288.395 1.633 20 30 CDEDLO Oc1ccc(/C=N/Cc2c[nH+]c3n2CCCC3)c(O)c1O ZINC000790575145 830075785 /nfs/dbraw/zinc/07/57/85/830075785.db2.gz PBLYAHLWSUHARQ-FRKPEAEDSA-N 1 2 287.319 1.955 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccccn1)O2 ZINC001053553823 830159155 /nfs/dbraw/zinc/15/91/55/830159155.db2.gz UZIJZCSQKSIYGB-CYBMUJFWSA-N 1 2 287.363 1.231 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(F)CCCC1 ZINC001032487877 830199347 /nfs/dbraw/zinc/19/93/47/830199347.db2.gz IOAPQVCDZYRBCX-STQMWFEESA-N 1 2 264.344 1.577 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(F)CCCC1 ZINC001032487877 830199350 /nfs/dbraw/zinc/19/93/50/830199350.db2.gz IOAPQVCDZYRBCX-STQMWFEESA-N 1 2 264.344 1.577 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)F)CO2 ZINC001053719147 833601282 /nfs/dbraw/zinc/60/12/82/833601282.db2.gz WZFXLCDRLGXOKB-NSHDSACASA-N 1 2 270.348 1.270 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001017968089 830291713 /nfs/dbraw/zinc/29/17/13/830291713.db2.gz GTZBKBMWRNXIQS-LVQVYYBASA-N 1 2 274.408 1.977 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001017968089 830291715 /nfs/dbraw/zinc/29/17/15/830291715.db2.gz GTZBKBMWRNXIQS-LVQVYYBASA-N 1 2 274.408 1.977 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001039071070 830307814 /nfs/dbraw/zinc/30/78/14/830307814.db2.gz SZAZGKDWPPXFOE-DEPYFDJDSA-N 1 2 258.365 1.102 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001039071070 830307823 /nfs/dbraw/zinc/30/78/23/830307823.db2.gz SZAZGKDWPPXFOE-DEPYFDJDSA-N 1 2 258.365 1.102 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(-n3cccn3)cc2)C1 ZINC001030442176 830377265 /nfs/dbraw/zinc/37/72/65/830377265.db2.gz OIKKXBYNTRMQMY-UHFFFAOYSA-N 1 2 296.374 1.862 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2c(C)noc2C)C1 ZINC000923591426 830388111 /nfs/dbraw/zinc/38/81/11/830388111.db2.gz AGNGWKHVRJLJPZ-GFCCVEGCSA-N 1 2 261.325 1.119 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)noc2C)C1 ZINC000923591426 830388117 /nfs/dbraw/zinc/38/81/17/830388117.db2.gz AGNGWKHVRJLJPZ-GFCCVEGCSA-N 1 2 261.325 1.119 20 30 CDEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OCC#N ZINC000796011042 830418247 /nfs/dbraw/zinc/41/82/47/830418247.db2.gz YPIBIKIMESBBKT-UHFFFAOYSA-N 1 2 265.219 1.690 20 30 CDEDLO CN1CC[N@H+](Cc2cccc(C#N)n2)Cc2cccnc21 ZINC000872267313 830462836 /nfs/dbraw/zinc/46/28/36/830462836.db2.gz NBJQLMQGNJEFDX-UHFFFAOYSA-N 1 2 279.347 1.800 20 30 CDEDLO CN1CC[N@@H+](Cc2cccc(C#N)n2)Cc2cccnc21 ZINC000872267313 830462858 /nfs/dbraw/zinc/46/28/58/830462858.db2.gz NBJQLMQGNJEFDX-UHFFFAOYSA-N 1 2 279.347 1.800 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1c(F)cncc1F ZINC001038298382 830542382 /nfs/dbraw/zinc/54/23/82/830542382.db2.gz UGHCCSKZWGWJKS-VIFPVBQESA-N 1 2 267.279 1.350 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1c(F)cncc1F ZINC001038298382 830542391 /nfs/dbraw/zinc/54/23/91/830542391.db2.gz UGHCCSKZWGWJKS-VIFPVBQESA-N 1 2 267.279 1.350 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@H](OC)C2)C1 ZINC001043688411 830627759 /nfs/dbraw/zinc/62/77/59/830627759.db2.gz ROOUPDATNKZTLR-OCCSQVGLSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccncc1 ZINC001050792750 830751347 /nfs/dbraw/zinc/75/13/47/830751347.db2.gz RQEAVZOQXHFULF-AWEZNQCLSA-N 1 2 275.352 1.088 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccncc1 ZINC001050792750 830751364 /nfs/dbraw/zinc/75/13/64/830751364.db2.gz RQEAVZOQXHFULF-AWEZNQCLSA-N 1 2 275.352 1.088 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1 ZINC001032251514 833683864 /nfs/dbraw/zinc/68/38/64/833683864.db2.gz PMGHUAGCSYAGAR-KBPBESRZSA-N 1 2 255.321 1.004 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1 ZINC001032251514 833683898 /nfs/dbraw/zinc/68/38/98/833683898.db2.gz PMGHUAGCSYAGAR-KBPBESRZSA-N 1 2 255.321 1.004 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccn3ccccc23)C1 ZINC001030659614 833750632 /nfs/dbraw/zinc/75/06/32/833750632.db2.gz FBMCXKNOSANZTF-UHFFFAOYSA-N 1 2 269.348 1.929 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)c1ccc(F)c(F)c1 ZINC000884103526 833794948 /nfs/dbraw/zinc/79/49/48/833794948.db2.gz MNCPLAXRZYKPHJ-LBPRGKRZSA-N 1 2 298.289 1.374 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+]([C@@H](C)C(N)=O)C2)CC1 ZINC001008416751 832080605 /nfs/dbraw/zinc/08/06/05/832080605.db2.gz INJKJLAXCDPWNG-GXTWGEPZSA-N 1 2 293.411 1.187 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)C(N)=O)C2)CC1 ZINC001008416751 832080612 /nfs/dbraw/zinc/08/06/12/832080612.db2.gz INJKJLAXCDPWNG-GXTWGEPZSA-N 1 2 293.411 1.187 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Oc1ccccc1 ZINC001032764042 832225183 /nfs/dbraw/zinc/22/51/83/832225183.db2.gz CKNGDPBXIAHVQG-KKUMJFAQSA-N 1 2 284.359 1.372 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Oc1ccccc1 ZINC001032764042 832225190 /nfs/dbraw/zinc/22/51/90/832225190.db2.gz CKNGDPBXIAHVQG-KKUMJFAQSA-N 1 2 284.359 1.372 20 30 CDEDLO CCN(C)c1ccc(C=[NH+][N-]c2cc(C)[nH+]c(N)n2)cn1 ZINC000872421008 832258865 /nfs/dbraw/zinc/25/88/65/832258865.db2.gz UZROIRUKXIJUCV-UHFFFAOYSA-N 1 2 285.355 1.664 20 30 CDEDLO C=CC[N@@H+](Cn1cc(C(=O)OCC)cn1)[C@H](C)COC ZINC000853534864 832272476 /nfs/dbraw/zinc/27/24/76/832272476.db2.gz NKWOKHNZNRNQHF-GFCCVEGCSA-N 1 2 281.356 1.540 20 30 CDEDLO C=CC[N@H+](Cn1cc(C(=O)OCC)cn1)[C@H](C)COC ZINC000853534864 832272483 /nfs/dbraw/zinc/27/24/83/832272483.db2.gz NKWOKHNZNRNQHF-GFCCVEGCSA-N 1 2 281.356 1.540 20 30 CDEDLO C=CCNc1ncc(C(=O)OCCc2c[nH+]cn2C)s1 ZINC000837589839 832279271 /nfs/dbraw/zinc/27/92/71/832279271.db2.gz ZPXGGIRPAIOECL-UHFFFAOYSA-N 1 2 292.364 1.874 20 30 CDEDLO C#CCOc1cccc(Cl)c1C[N@H+](C)CCOCCO ZINC000800545908 832313427 /nfs/dbraw/zinc/31/34/27/832313427.db2.gz ZRHAIQUOXAGEHN-UHFFFAOYSA-N 1 2 297.782 1.793 20 30 CDEDLO C#CCOc1cccc(Cl)c1C[N@@H+](C)CCOCCO ZINC000800545908 832313437 /nfs/dbraw/zinc/31/34/37/832313437.db2.gz ZRHAIQUOXAGEHN-UHFFFAOYSA-N 1 2 297.782 1.793 20 30 CDEDLO C=C(C)CC[NH+]1CC(NC(=O)c2cc(OC)no2)C1 ZINC001030237194 833823980 /nfs/dbraw/zinc/82/39/80/833823980.db2.gz XLAIRYFHLCXJSB-UHFFFAOYSA-N 1 2 265.313 1.063 20 30 CDEDLO CC[C@H](O)CNN=C1CCN(c2cccc[nH+]2)CC1 ZINC000811653580 833824497 /nfs/dbraw/zinc/82/44/97/833824497.db2.gz FMHRMVIMOPMESX-ZDUSSCGKSA-N 1 2 262.357 1.398 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1c(OC)ccnc1OC ZINC001038506598 832325448 /nfs/dbraw/zinc/32/54/48/832325448.db2.gz YPIARUFWDKKJQM-NSHDSACASA-N 1 2 291.351 1.089 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1c(OC)ccnc1OC ZINC001038506598 832325454 /nfs/dbraw/zinc/32/54/54/832325454.db2.gz YPIARUFWDKKJQM-NSHDSACASA-N 1 2 291.351 1.089 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(Cl)n[nH]c1C1CC1 ZINC001038341339 832329184 /nfs/dbraw/zinc/32/91/84/832329184.db2.gz ULOZUXBCZOXRCF-JTQLQIEISA-N 1 2 292.770 1.378 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(Cl)n[nH]c1C1CC1 ZINC001038341339 832329190 /nfs/dbraw/zinc/32/91/90/832329190.db2.gz ULOZUXBCZOXRCF-JTQLQIEISA-N 1 2 292.770 1.378 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(C(C)C)nc2)C1 ZINC001042921521 832352027 /nfs/dbraw/zinc/35/20/27/832352027.db2.gz KHJOAUGGTYLKNG-UHFFFAOYSA-N 1 2 285.391 1.985 20 30 CDEDLO N#Cc1cc(F)ccc1C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000782004632 832411313 /nfs/dbraw/zinc/41/13/13/832411313.db2.gz OQIGYPCGGWYEMH-UHFFFAOYSA-N 1 2 289.310 1.772 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc([C@@H](C)CC)no2)C1 ZINC001044021284 833836897 /nfs/dbraw/zinc/83/68/97/833836897.db2.gz QZVVXQJEAFRTNL-LBPRGKRZSA-N 1 2 289.379 1.968 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCO[C@H](CCC)C2)C1 ZINC001031155243 833837265 /nfs/dbraw/zinc/83/72/65/833837265.db2.gz IFCODZOSZYZEHA-UKRRQHHQSA-N 1 2 280.412 1.958 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cn[nH]c2)C1 ZINC001046163689 833838307 /nfs/dbraw/zinc/83/83/07/833838307.db2.gz HBTCMEHAVGKIEK-LBPRGKRZSA-N 1 2 268.748 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cn[nH]c2)C1 ZINC001046163689 833838308 /nfs/dbraw/zinc/83/83/08/833838308.db2.gz HBTCMEHAVGKIEK-LBPRGKRZSA-N 1 2 268.748 1.356 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C)o1 ZINC001050802394 833846271 /nfs/dbraw/zinc/84/62/71/833846271.db2.gz MKEDVNMGDZVHPW-ZDUSSCGKSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C)o1 ZINC001050802394 833846272 /nfs/dbraw/zinc/84/62/72/833846272.db2.gz MKEDVNMGDZVHPW-ZDUSSCGKSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2CCC[C@H](OC)C2)C1 ZINC001042874394 832441435 /nfs/dbraw/zinc/44/14/35/832441435.db2.gz MCSPOQLQDIFZHY-HIFRSBDPSA-N 1 2 280.412 1.910 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@@H]3CC[C@@H](C)O3)C2)cn1 ZINC001031278448 832493536 /nfs/dbraw/zinc/49/35/36/832493536.db2.gz MUVWLARPAXDVNE-WBMJQRKESA-N 1 2 299.374 1.044 20 30 CDEDLO CC#CC[NH+]1CC(CNC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001031738407 833873731 /nfs/dbraw/zinc/87/37/31/833873731.db2.gz RWWMUUZGEOARAB-UHFFFAOYSA-N 1 2 294.786 1.310 20 30 CDEDLO N#Cc1cc(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)c[nH]1 ZINC000874891993 832563050 /nfs/dbraw/zinc/56/30/50/832563050.db2.gz YCTQIXHKHCQUBA-OAHLLOKOSA-N 1 2 298.321 1.812 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cscn1 ZINC001050842695 833875630 /nfs/dbraw/zinc/87/56/30/833875630.db2.gz XFSAQSXDHDHBDF-LLVKDONJSA-N 1 2 281.381 1.150 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cscn1 ZINC001050842695 833875631 /nfs/dbraw/zinc/87/56/31/833875631.db2.gz XFSAQSXDHDHBDF-LLVKDONJSA-N 1 2 281.381 1.150 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC001018121968 832566435 /nfs/dbraw/zinc/56/64/35/832566435.db2.gz DEXZHMPRPILWSD-IVSAIRAKSA-N 1 2 274.408 1.977 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC001018121968 832566454 /nfs/dbraw/zinc/56/64/54/832566454.db2.gz DEXZHMPRPILWSD-IVSAIRAKSA-N 1 2 274.408 1.977 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC1(C)C)CO2 ZINC001053900387 833882447 /nfs/dbraw/zinc/88/24/47/833882447.db2.gz LDNRFQZUOIHPTG-UONOGXRCSA-N 1 2 290.407 1.405 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccccn3)[C@@H]2C1 ZINC001075486797 832592238 /nfs/dbraw/zinc/59/22/38/832592238.db2.gz QGVJGEYGGBFGTH-GXTWGEPZSA-N 1 2 291.782 1.980 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccccn3)[C@@H]2C1 ZINC001075486797 832592253 /nfs/dbraw/zinc/59/22/53/832592253.db2.gz QGVJGEYGGBFGTH-GXTWGEPZSA-N 1 2 291.782 1.980 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccn(C(C)C)n2)C1 ZINC001043991762 833887154 /nfs/dbraw/zinc/88/71/54/833887154.db2.gz IAHOAABTVYYLEH-UHFFFAOYSA-N 1 2 276.384 1.796 20 30 CDEDLO C=C(C)CCNC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875638449 833892244 /nfs/dbraw/zinc/89/22/44/833892244.db2.gz VDLIABNOIBYAKI-ZDUSSCGKSA-N 1 2 269.389 1.363 20 30 CDEDLO C=C(C)CCNC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875638449 833892245 /nfs/dbraw/zinc/89/22/45/833892245.db2.gz VDLIABNOIBYAKI-ZDUSSCGKSA-N 1 2 269.389 1.363 20 30 CDEDLO N#CCC[NH2+][C@H]1CCCN(Cc2ccccc2)C1=O ZINC000819193156 832613255 /nfs/dbraw/zinc/61/32/55/832613255.db2.gz CPEVMZYBDGLZOQ-AWEZNQCLSA-N 1 2 257.337 1.681 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001043499128 833899258 /nfs/dbraw/zinc/89/92/58/833899258.db2.gz GDCZAWKGOTYXPE-CQSZACIVSA-N 1 2 299.374 1.441 20 30 CDEDLO COc1ccnc(N=NCc2c[nH+]cn2C(C)C)n1 ZINC000819806462 832652307 /nfs/dbraw/zinc/65/23/07/832652307.db2.gz RQPRFXGTGYIFEK-UHFFFAOYSA-N 1 2 260.301 1.709 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001051034029 832725671 /nfs/dbraw/zinc/72/56/71/832725671.db2.gz LKLVUQDKIMUMQM-IIAWOOMASA-N 1 2 278.396 1.570 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001051034029 832725685 /nfs/dbraw/zinc/72/56/85/832725685.db2.gz LKLVUQDKIMUMQM-IIAWOOMASA-N 1 2 278.396 1.570 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2ccccc21 ZINC001038403098 832737279 /nfs/dbraw/zinc/73/72/79/832737279.db2.gz BJDTZHIUMUMLNF-WBVHZDCISA-N 1 2 282.387 1.930 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2ccccc21 ZINC001038403098 832737304 /nfs/dbraw/zinc/73/73/04/832737304.db2.gz BJDTZHIUMUMLNF-WBVHZDCISA-N 1 2 282.387 1.930 20 30 CDEDLO C#CC[N@H+]1CC[C@@](C)(NC(=O)c2cccc3nc[nH]c32)C1 ZINC001046725402 832795277 /nfs/dbraw/zinc/79/52/77/832795277.db2.gz WYKGCNAHHYFCDJ-MRXNPFEDSA-N 1 2 282.347 1.390 20 30 CDEDLO C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc3nc[nH]c32)C1 ZINC001046725402 832795297 /nfs/dbraw/zinc/79/52/97/832795297.db2.gz WYKGCNAHHYFCDJ-MRXNPFEDSA-N 1 2 282.347 1.390 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)c3cn[nH]n3)CCC[C@@H]12 ZINC000991573106 832816933 /nfs/dbraw/zinc/81/69/33/832816933.db2.gz WXKQZNAFQLZMLP-YPMHNXCESA-N 1 2 295.774 1.284 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)c3cn[nH]n3)CCC[C@@H]12 ZINC000991573106 832816934 /nfs/dbraw/zinc/81/69/34/832816934.db2.gz WXKQZNAFQLZMLP-YPMHNXCESA-N 1 2 295.774 1.284 20 30 CDEDLO N#Cc1ccc(CO[NH+]=C(N)Cc2cccnc2)cc1 ZINC000178919048 832858837 /nfs/dbraw/zinc/85/88/37/832858837.db2.gz WNHDDIYPWIMWCP-UHFFFAOYSA-N 1 2 266.304 1.985 20 30 CDEDLO Cc1[nH+]cc(C=NN2C(=O)NC3(CCCCC3)C2=O)n1C ZINC000853272784 832866230 /nfs/dbraw/zinc/86/62/30/832866230.db2.gz YKCFYOUVLGUZKN-UHFFFAOYSA-N 1 2 289.339 1.317 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)C3CCOCC3)cc2C1 ZINC001054252968 832866306 /nfs/dbraw/zinc/86/63/06/832866306.db2.gz IHBTTWPZJPHFQA-UHFFFAOYSA-N 1 2 298.386 1.678 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)C3CCOCC3)cc2C1 ZINC001054252968 832866307 /nfs/dbraw/zinc/86/63/07/832866307.db2.gz IHBTTWPZJPHFQA-UHFFFAOYSA-N 1 2 298.386 1.678 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2[nH]nc3ccccc32)C1 ZINC001033633815 832881025 /nfs/dbraw/zinc/88/10/25/832881025.db2.gz XVZHVTHYVKZPJN-CYBMUJFWSA-N 1 2 296.374 1.733 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2[nH]nc3ccccc32)C1 ZINC001033633815 832881027 /nfs/dbraw/zinc/88/10/27/832881027.db2.gz XVZHVTHYVKZPJN-CYBMUJFWSA-N 1 2 296.374 1.733 20 30 CDEDLO COc1cc(C=NNc2cc[nH+]cc2)cc([N+](=O)[O-])c1O ZINC000779809244 832884753 /nfs/dbraw/zinc/88/47/53/832884753.db2.gz NFYVBVLZXDTYIQ-UHFFFAOYSA-N 1 2 288.263 1.572 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccnn2CCC)C1 ZINC001014581077 832896430 /nfs/dbraw/zinc/89/64/30/832896430.db2.gz XHUCFFHNAWFBKY-LBPRGKRZSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccnn2CCC)C1 ZINC001014581077 832896431 /nfs/dbraw/zinc/89/64/31/832896431.db2.gz XHUCFFHNAWFBKY-LBPRGKRZSA-N 1 2 296.802 1.850 20 30 CDEDLO CC#CC[C@H](CO)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000823728471 832905828 /nfs/dbraw/zinc/90/58/28/832905828.db2.gz 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/nfs/dbraw/zinc/60/22/80/833602280.db2.gz ZRYPCACJZJEPCB-UHFFFAOYSA-N 1 2 263.316 1.553 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cocn1 ZINC001027779632 833748455 /nfs/dbraw/zinc/74/84/55/833748455.db2.gz ZEKZOOXOMDDZHM-JTQLQIEISA-N 1 2 269.732 1.621 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cocn1 ZINC001027779632 833748503 /nfs/dbraw/zinc/74/85/03/833748503.db2.gz ZEKZOOXOMDDZHM-JTQLQIEISA-N 1 2 269.732 1.621 20 30 CDEDLO CC(C)OCCO[NH+]=Cc1cnc(N(C)C)s1 ZINC000812240631 833853754 /nfs/dbraw/zinc/85/37/54/833853754.db2.gz WZQYOAFSBRITLY-UHFFFAOYSA-N 1 2 257.359 1.985 20 30 CDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCn2cccc2C1 ZINC000932527120 833835981 /nfs/dbraw/zinc/83/59/81/833835981.db2.gz XKBBQYOXQHUWQL-INIZCTEOSA-N 1 2 297.358 1.615 20 30 CDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCn2cccc2C1 ZINC000932527120 833835982 /nfs/dbraw/zinc/83/59/82/833835982.db2.gz XKBBQYOXQHUWQL-INIZCTEOSA-N 1 2 297.358 1.615 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccnnc2)C1 ZINC001033454094 833876899 /nfs/dbraw/zinc/87/68/99/833876899.db2.gz STWWIJTWSKSVMC-LBPRGKRZSA-N 1 2 280.759 1.375 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccnnc2)C1 ZINC001033454094 833876901 /nfs/dbraw/zinc/87/69/01/833876901.db2.gz STWWIJTWSKSVMC-LBPRGKRZSA-N 1 2 280.759 1.375 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1(C)CC=CC1)CO2 ZINC001053916350 833889691 /nfs/dbraw/zinc/88/96/91/833889691.db2.gz HEYJFGFSPNYUQB-AWEZNQCLSA-N 1 2 288.391 1.326 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(C(C)(C)C)n1 ZINC001038242572 833898283 /nfs/dbraw/zinc/89/82/83/833898283.db2.gz WJQBYFVJHRYFLO-GFCCVEGCSA-N 1 2 289.379 1.800 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(C(C)(C)C)n1 ZINC001038242572 833898284 /nfs/dbraw/zinc/89/82/84/833898284.db2.gz WJQBYFVJHRYFLO-GFCCVEGCSA-N 1 2 289.379 1.800 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(N3CCCC3)nc2)C1 ZINC001031111021 833908313 /nfs/dbraw/zinc/90/83/13/833908313.db2.gz VDTAXIPMVOZJAX-UHFFFAOYSA-N 1 2 298.390 1.119 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3n[nH]cc3C)cc2C1 ZINC001054263768 834149376 /nfs/dbraw/zinc/14/93/76/834149376.db2.gz DHVUZQCMVYZELR-UHFFFAOYSA-N 1 2 294.358 1.597 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3n[nH]cc3C)cc2C1 ZINC001054263768 834149401 /nfs/dbraw/zinc/14/94/01/834149401.db2.gz DHVUZQCMVYZELR-UHFFFAOYSA-N 1 2 294.358 1.597 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccncc1F ZINC001032329576 834256766 /nfs/dbraw/zinc/25/67/66/834256766.db2.gz NKRLGIYMSBUNFX-QWRGUYRKSA-N 1 2 261.300 1.305 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccncc1F ZINC001032329576 834256780 /nfs/dbraw/zinc/25/67/80/834256780.db2.gz NKRLGIYMSBUNFX-QWRGUYRKSA-N 1 2 261.300 1.305 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccnc1 ZINC001032319225 834280376 /nfs/dbraw/zinc/28/03/76/834280376.db2.gz LNKFEORWZNQAGH-UBHSHLNASA-N 1 2 270.336 1.026 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccnc1 ZINC001032319225 834280401 /nfs/dbraw/zinc/28/04/01/834280401.db2.gz LNKFEORWZNQAGH-UBHSHLNASA-N 1 2 270.336 1.026 20 30 CDEDLO CN(C)c1ncc(C=[NH+]Nc2ccc([N+](=O)[O-])cc2)n1C ZINC000811628740 834313500 /nfs/dbraw/zinc/31/35/00/834313500.db2.gz KJDFCRYUNKIQPL-UHFFFAOYSA-N 1 2 288.311 1.840 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(N(C)CCC)cc1 ZINC001039079881 834342902 /nfs/dbraw/zinc/34/29/02/834342902.db2.gz VWQCBOSSTRYVOX-QGZVFWFLSA-N 1 2 299.418 1.970 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N(C)CCC)cc1 ZINC001039079881 834342916 /nfs/dbraw/zinc/34/29/16/834342916.db2.gz VWQCBOSSTRYVOX-QGZVFWFLSA-N 1 2 299.418 1.970 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(OC)c(Cl)c1 ZINC001039043904 834374873 /nfs/dbraw/zinc/37/48/73/834374873.db2.gz TYNWDAUZEKQDLA-NSHDSACASA-N 1 2 293.754 1.181 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(OC)c(Cl)c1 ZINC001039043904 834374887 /nfs/dbraw/zinc/37/48/87/834374887.db2.gz TYNWDAUZEKQDLA-NSHDSACASA-N 1 2 293.754 1.181 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2c(cn1)CCCC2 ZINC001038487654 834531306 /nfs/dbraw/zinc/53/13/06/834531306.db2.gz DOTXWDDYESVQNK-HNNXBMFYSA-N 1 2 283.375 1.398 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c(cn1)CCCC2 ZINC001038487654 834531331 /nfs/dbraw/zinc/53/13/31/834531331.db2.gz DOTXWDDYESVQNK-HNNXBMFYSA-N 1 2 283.375 1.398 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C1(C#N)CC(C)C1 ZINC000874704345 834606675 /nfs/dbraw/zinc/60/66/75/834606675.db2.gz IMDWMCYEIOSHLM-JVWICGRDSA-N 1 2 279.384 1.153 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C1(C#N)CC(C)C1 ZINC000874704345 834606648 /nfs/dbraw/zinc/60/66/48/834606648.db2.gz IMDWMCYEIOSHLM-JVWICGRDSA-N 1 2 279.384 1.153 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1cccc(C(=O)OC)n1)C(C)C ZINC000932387186 834638847 /nfs/dbraw/zinc/63/88/47/834638847.db2.gz APRWAAVBQMKOKS-UHFFFAOYSA-N 1 2 289.335 1.150 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1cccc(C(=O)OC)n1)C(C)C ZINC000932387186 834638876 /nfs/dbraw/zinc/63/88/76/834638876.db2.gz APRWAAVBQMKOKS-UHFFFAOYSA-N 1 2 289.335 1.150 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C(F)=C(C)C)CCO2 ZINC001053217625 834766456 /nfs/dbraw/zinc/76/64/56/834766456.db2.gz YEKFJMOFXQHFMY-UHFFFAOYSA-N 1 2 282.359 1.739 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnnc(C)c1 ZINC001027849456 834805102 /nfs/dbraw/zinc/80/51/02/834805102.db2.gz YJZGDZBBCFRLCR-ZDUSSCGKSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnnc(C)c1 ZINC001027849456 834805106 /nfs/dbraw/zinc/80/51/06/834805106.db2.gz YJZGDZBBCFRLCR-ZDUSSCGKSA-N 1 2 294.786 1.732 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2coc(CC3CC3)n2)C1 ZINC001044109536 834844797 /nfs/dbraw/zinc/84/47/97/834844797.db2.gz TYGRFSWBVPDZBH-UHFFFAOYSA-N 1 2 287.363 1.407 20 30 CDEDLO CC(C)(C)OC(=O)N1CC[N@H+](C[C@H](O)CC#N)CC1(C)C ZINC000930670447 834868463 /nfs/dbraw/zinc/86/84/63/834868463.db2.gz IJCHBLLTBBIJIX-GFCCVEGCSA-N 1 2 297.399 1.592 20 30 CDEDLO CC(C)(C)OC(=O)N1CC[N@@H+](C[C@H](O)CC#N)CC1(C)C ZINC000930670447 834868464 /nfs/dbraw/zinc/86/84/64/834868464.db2.gz IJCHBLLTBBIJIX-GFCCVEGCSA-N 1 2 297.399 1.592 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2c[nH]c(C)n2)C1 ZINC001032959649 834924820 /nfs/dbraw/zinc/92/48/20/834924820.db2.gz HGIIUFBVCJPEHG-NSHDSACASA-N 1 2 282.775 1.617 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]c(C)n2)C1 ZINC001032959649 834924849 /nfs/dbraw/zinc/92/48/49/834924849.db2.gz HGIIUFBVCJPEHG-NSHDSACASA-N 1 2 282.775 1.617 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(Cl)n1 ZINC001032718220 835016895 /nfs/dbraw/zinc/01/68/95/835016895.db2.gz OVOGYJJBWOODOD-IUCAKERBSA-N 1 2 283.784 1.881 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(Cl)n1 ZINC001032718220 835016911 /nfs/dbraw/zinc/01/69/11/835016911.db2.gz OVOGYJJBWOODOD-IUCAKERBSA-N 1 2 283.784 1.881 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(CCC)n[nH]2)C1 ZINC001015469588 835040771 /nfs/dbraw/zinc/04/07/71/835040771.db2.gz CMWSZRJOLQUNDY-LBPRGKRZSA-N 1 2 296.802 1.919 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(CCC)n[nH]2)C1 ZINC001015469588 835040788 /nfs/dbraw/zinc/04/07/88/835040788.db2.gz CMWSZRJOLQUNDY-LBPRGKRZSA-N 1 2 296.802 1.919 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](CN2C[C@@H]3CCCCN3C2=O)C1 ZINC000872624073 835047319 /nfs/dbraw/zinc/04/73/19/835047319.db2.gz HJONQKHVAFIPMW-KBPBESRZSA-N 1 2 276.384 1.860 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](CN2C[C@@H]3CCCCN3C2=O)C1 ZINC000872624073 835047328 /nfs/dbraw/zinc/04/73/28/835047328.db2.gz HJONQKHVAFIPMW-KBPBESRZSA-N 1 2 276.384 1.860 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc[nH]c1)CO2 ZINC001053817399 835077530 /nfs/dbraw/zinc/07/75/30/835077530.db2.gz LLDCUYWXXZJWEZ-ZDUSSCGKSA-N 1 2 275.352 1.164 20 30 CDEDLO C=CCCC(=O)O[C@H](COC)C[N@@H+]1CCO[C@H](C)C1 ZINC000842972517 835168007 /nfs/dbraw/zinc/16/80/07/835168007.db2.gz XPSLPVZWQCAWIR-OLZOCXBDSA-N 1 2 271.357 1.232 20 30 CDEDLO C=CCCC(=O)O[C@H](COC)C[N@H+]1CCO[C@H](C)C1 ZINC000842972517 835168043 /nfs/dbraw/zinc/16/80/43/835168043.db2.gz XPSLPVZWQCAWIR-OLZOCXBDSA-N 1 2 271.357 1.232 20 30 CDEDLO C=CCOCC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882873378 835218385 /nfs/dbraw/zinc/21/83/85/835218385.db2.gz YOYPVIGVSMTYLO-HNNXBMFYSA-N 1 2 285.347 1.943 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C#N)ccc2F)CC1 ZINC000825077630 835246343 /nfs/dbraw/zinc/24/63/43/835246343.db2.gz CQFNSAJTNMITIH-UHFFFAOYSA-N 1 2 285.322 1.478 20 30 CDEDLO C=CC[N@@H+](Cc1ccc(C)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000876630095 835266068 /nfs/dbraw/zinc/26/60/68/835266068.db2.gz QZNQXMOUQURJMG-CQSZACIVSA-N 1 2 295.404 1.876 20 30 CDEDLO C=CC[N@H+](Cc1ccc(C)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000876630095 835266092 /nfs/dbraw/zinc/26/60/92/835266092.db2.gz QZNQXMOUQURJMG-CQSZACIVSA-N 1 2 295.404 1.876 20 30 CDEDLO N#CCNC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000996728772 835328121 /nfs/dbraw/zinc/32/81/21/835328121.db2.gz LMZMCLCVYJUZJG-UHFFFAOYSA-N 1 2 283.335 1.281 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ncoc2-c2ccon2)C1 ZINC001031267123 835334483 /nfs/dbraw/zinc/33/44/83/835334483.db2.gz SBIGKUWCBJYQEL-UHFFFAOYSA-N 1 2 288.307 1.320 20 30 CDEDLO COc1cc(C(C)=NNc2[nH+]ccn2C)cc(OC)c1O ZINC000842531334 835352178 /nfs/dbraw/zinc/35/21/78/835352178.db2.gz DSPYSQIQYRRUTH-UHFFFAOYSA-N 1 2 290.323 1.979 20 30 CDEDLO C#CCOCCOC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000853926956 835366610 /nfs/dbraw/zinc/36/66/10/835366610.db2.gz VNPLWBSEQRWZBA-UHFFFAOYSA-N 1 2 258.277 1.449 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1Cc2ccccc2O1 ZINC001032505758 835369146 /nfs/dbraw/zinc/36/91/46/835369146.db2.gz NDSHKQQTRGQBCL-YQQAZPJKSA-N 1 2 296.370 1.299 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1Cc2ccccc2O1 ZINC001032505758 835369151 /nfs/dbraw/zinc/36/91/51/835369151.db2.gz NDSHKQQTRGQBCL-YQQAZPJKSA-N 1 2 296.370 1.299 20 30 CDEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccon3)C[C@@H]21 ZINC001074184365 835391177 /nfs/dbraw/zinc/39/11/77/835391177.db2.gz LIODXLJORFKSGU-KBPBESRZSA-N 1 2 291.351 1.166 20 30 CDEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccon3)C[C@@H]21 ZINC001074184365 835391192 /nfs/dbraw/zinc/39/11/92/835391192.db2.gz LIODXLJORFKSGU-KBPBESRZSA-N 1 2 291.351 1.166 20 30 CDEDLO Cc1conc1C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000971211666 835417519 /nfs/dbraw/zinc/41/75/19/835417519.db2.gz UWMITVSLNXWCBO-JQWIXIFHSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1conc1C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000971211666 835417524 /nfs/dbraw/zinc/41/75/24/835417524.db2.gz UWMITVSLNXWCBO-JQWIXIFHSA-N 1 2 276.340 1.175 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881272164 835440928 /nfs/dbraw/zinc/44/09/28/835440928.db2.gz OVBUIRVVVQLASG-UHFFFAOYSA-N 1 2 283.379 1.505 20 30 CDEDLO CC[NH+]1CCN(C(=O)[C@H](C)SCCO[C@H](C)C#N)CC1 ZINC000808367807 835492990 /nfs/dbraw/zinc/49/29/90/835492990.db2.gz MMLIZPPSHDBROE-OLZOCXBDSA-N 1 2 299.440 1.201 20 30 CDEDLO C=CCC(F)(F)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000815831139 835504471 /nfs/dbraw/zinc/50/44/71/835504471.db2.gz ZSYPZWLMGSVHLQ-UHFFFAOYSA-N 1 2 257.284 1.943 20 30 CDEDLO C#CC[NH+]1CCN(Cn2ccc(-c3cccc(F)c3)n2)CC1 ZINC000872558243 835516478 /nfs/dbraw/zinc/51/64/78/835516478.db2.gz SOGWOVNEIJYHFG-UHFFFAOYSA-N 1 2 298.365 1.898 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C2CCC2)c1 ZINC001017551873 835557205 /nfs/dbraw/zinc/55/72/05/835557205.db2.gz SOJDNPQDMVLMPB-IYBDPMFKSA-N 1 2 298.390 1.530 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C2CCC2)c1 ZINC001017551873 835557214 /nfs/dbraw/zinc/55/72/14/835557214.db2.gz SOJDNPQDMVLMPB-IYBDPMFKSA-N 1 2 298.390 1.530 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(N(CC)CC)cc2)C1 ZINC001031304950 835605325 /nfs/dbraw/zinc/60/53/25/835605325.db2.gz VLVRHAWBDFEKLA-UHFFFAOYSA-N 1 2 299.418 1.970 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1conc1C ZINC001051092095 835640091 /nfs/dbraw/zinc/64/00/91/835640091.db2.gz GVYZLBFEXDTPCM-CYBMUJFWSA-N 1 2 293.367 1.380 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1conc1C ZINC001051092095 835640093 /nfs/dbraw/zinc/64/00/93/835640093.db2.gz GVYZLBFEXDTPCM-CYBMUJFWSA-N 1 2 293.367 1.380 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)nc2n[nH]c(C)c21 ZINC001038813501 835727860 /nfs/dbraw/zinc/72/78/60/835727860.db2.gz VRJDHMWXBAHSKF-GFCCVEGCSA-N 1 2 297.362 1.012 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)nc2n[nH]c(C)c21 ZINC001038813501 835727868 /nfs/dbraw/zinc/72/78/68/835727868.db2.gz VRJDHMWXBAHSKF-GFCCVEGCSA-N 1 2 297.362 1.012 20 30 CDEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(COC3)CC2)c1 ZINC001232673426 912375492 /nfs/dbraw/zinc/37/54/92/912375492.db2.gz GCFDAXLWERSKQK-UHFFFAOYSA-N 1 2 258.321 1.876 20 30 CDEDLO COC(=O)[C@]1([NH2+]C2CCC(CC#N)CC2)CCOC1 ZINC001173331785 912430602 /nfs/dbraw/zinc/43/06/02/912430602.db2.gz GRQWKIQKRFURRI-YIZWMMSDSA-N 1 2 266.341 1.381 20 30 CDEDLO COC(=O)c1ccc(C[C@H](C)N2CC[NH2+]C[C@H]2C#N)cc1 ZINC001173720504 912752320 /nfs/dbraw/zinc/75/23/20/912752320.db2.gz VBSAVPXLUPDEQK-SWLSCSKDSA-N 1 2 287.363 1.202 20 30 CDEDLO C#CCOCCC(=O)N(C)C[C@@H]1CC[N@@H+]1C/C=C/Cl ZINC001234246851 913409847 /nfs/dbraw/zinc/40/98/47/913409847.db2.gz TYPZDKVCMWDPMZ-LVDDQXARSA-N 1 2 284.787 1.312 20 30 CDEDLO C#CCOCCC(=O)N(C)C[C@@H]1CC[N@H+]1C/C=C/Cl ZINC001234246851 913409850 /nfs/dbraw/zinc/40/98/50/913409850.db2.gz TYPZDKVCMWDPMZ-LVDDQXARSA-N 1 2 284.787 1.312 20 30 CDEDLO C=C(C)C(=O)NCCCNc1cc(N2CCCC2)nc[nH+]1 ZINC001167666581 897311786 /nfs/dbraw/zinc/31/17/86/897311786.db2.gz SUCOIGWMWCWYSD-UHFFFAOYSA-N 1 2 289.383 1.571 20 30 CDEDLO C=C(C)C(=O)NCCCNc1cc(N2CCCC2)[nH+]cn1 ZINC001167666581 897311805 /nfs/dbraw/zinc/31/18/05/897311805.db2.gz SUCOIGWMWCWYSD-UHFFFAOYSA-N 1 2 289.383 1.571 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnn2c1CCC2 ZINC001480979325 898422125 /nfs/dbraw/zinc/42/21/25/898422125.db2.gz FICPLNPCCLUUOZ-UHFFFAOYSA-N 1 2 296.802 1.634 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnn2c1CCC2 ZINC001480979325 898422130 /nfs/dbraw/zinc/42/21/30/898422130.db2.gz FICPLNPCCLUUOZ-UHFFFAOYSA-N 1 2 296.802 1.634 20 30 CDEDLO C=C(C)CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(C)C)C1 ZINC001267628282 899082167 /nfs/dbraw/zinc/08/21/67/899082167.db2.gz TWZMIZYEHHWGGQ-AWEZNQCLSA-N 1 2 295.427 1.448 20 30 CDEDLO C=C(C)CCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC(C)C)C1 ZINC001267628282 899082180 /nfs/dbraw/zinc/08/21/80/899082180.db2.gz TWZMIZYEHHWGGQ-AWEZNQCLSA-N 1 2 295.427 1.448 20 30 CDEDLO C[C@H](C#N)N(C)C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176966038 914404796 /nfs/dbraw/zinc/40/47/96/914404796.db2.gz WLGFHTXEULOZJK-OLZOCXBDSA-N 1 2 272.352 1.668 20 30 CDEDLO Cc1nc(NC2(CNC(=O)C#CC(C)C)CCC2)cc[nH+]1 ZINC001111805059 900501865 /nfs/dbraw/zinc/50/18/65/900501865.db2.gz ZRTSZJZRMHVGHR-UHFFFAOYSA-N 1 2 286.379 1.895 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)cccc2Cl)[C@@H](O)C1 ZINC001083751104 914528465 /nfs/dbraw/zinc/52/84/65/914528465.db2.gz GDZVYYSXBWAYFF-OLZOCXBDSA-N 1 2 292.766 1.057 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)cccc2Cl)[C@@H](O)C1 ZINC001083751104 914528475 /nfs/dbraw/zinc/52/84/75/914528475.db2.gz GDZVYYSXBWAYFF-OLZOCXBDSA-N 1 2 292.766 1.057 20 30 CDEDLO CCCCN(CC#N)C(=O)CN(C)c1cccc[nH+]1 ZINC001177411758 914669725 /nfs/dbraw/zinc/66/97/25/914669725.db2.gz AKJHHPZCTDOMBK-UHFFFAOYSA-N 1 2 260.341 1.670 20 30 CDEDLO CN(CC(=O)N[C@H]1CC[C@H](C#N)CC1)c1cccc[nH+]1 ZINC001177414004 914670949 /nfs/dbraw/zinc/67/09/49/914670949.db2.gz OPQUFIDZWOVOGZ-JOCQHMNTSA-N 1 2 272.352 1.716 20 30 CDEDLO C=CC[C@H](C)C(=O)N1CC2(CC[N@@H+]2CCn2ccnc2)C1 ZINC001268968573 903283644 /nfs/dbraw/zinc/28/36/44/903283644.db2.gz SXUOAKQTSQJRQH-AWEZNQCLSA-N 1 2 288.395 1.382 20 30 CDEDLO C=CC[C@H](C)C(=O)N1CC2(CC[N@H+]2CCn2ccnc2)C1 ZINC001268968573 903283662 /nfs/dbraw/zinc/28/36/62/903283662.db2.gz SXUOAKQTSQJRQH-AWEZNQCLSA-N 1 2 288.395 1.382 20 30 CDEDLO C=CC[C@H](C)C(=O)N1CC2(CCN2CCn2cc[nH+]c2)C1 ZINC001268968573 903283678 /nfs/dbraw/zinc/28/36/78/903283678.db2.gz SXUOAKQTSQJRQH-AWEZNQCLSA-N 1 2 288.395 1.382 20 30 CDEDLO C=CC[C@H](C)C(=O)N1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001268968493 903283885 /nfs/dbraw/zinc/28/38/85/903283885.db2.gz REVFFYGWWUQTBY-LBPRGKRZSA-N 1 2 274.368 1.266 20 30 CDEDLO CC(O)=C1C=CC(=O)C=C1O[C@@H](C)C[N+](C)(C)C ZINC001225618966 903370856 /nfs/dbraw/zinc/37/08/56/903370856.db2.gz KKHLEJCERHYCIW-JTQLQIEISA-O 1 2 252.334 1.953 20 30 CDEDLO C=CCS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000711123520 903736437 /nfs/dbraw/zinc/73/64/37/903736437.db2.gz ZBXIKESGWCVPCY-CQSZACIVSA-N 1 2 280.393 1.491 20 30 CDEDLO C=CCS(=O)(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000711123520 903736443 /nfs/dbraw/zinc/73/64/43/903736443.db2.gz ZBXIKESGWCVPCY-CQSZACIVSA-N 1 2 280.393 1.491 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[NH2+]Cc1nncs1 ZINC001128246100 921227198 /nfs/dbraw/zinc/22/71/98/921227198.db2.gz QDBDSALXXNLFCN-UHFFFAOYSA-N 1 2 268.386 1.346 20 30 CDEDLO C=CC(C)(C)CC(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128366918 921284374 /nfs/dbraw/zinc/28/43/74/921284374.db2.gz QCMODXXDPGJVOT-UHFFFAOYSA-N 1 2 290.411 1.937 20 30 CDEDLO C=CC(C)(C)CC(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128366918 921284377 /nfs/dbraw/zinc/28/43/77/921284377.db2.gz QCMODXXDPGJVOT-UHFFFAOYSA-N 1 2 290.411 1.937 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nc(CC2CC2)no1 ZINC001128414069 921298925 /nfs/dbraw/zinc/29/89/25/921298925.db2.gz VHABCWLEDQQUGZ-UHFFFAOYSA-N 1 2 292.383 1.584 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128448727 921305508 /nfs/dbraw/zinc/30/55/08/921305508.db2.gz WAEQAZYKRIPEHH-STQMWFEESA-N 1 2 290.411 1.793 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128448727 921305510 /nfs/dbraw/zinc/30/55/10/921305510.db2.gz WAEQAZYKRIPEHH-STQMWFEESA-N 1 2 290.411 1.793 20 30 CDEDLO C=CCCC(=O)N(C)CCNc1[nH+]cnc2c1cnn2C ZINC001101541949 907637475 /nfs/dbraw/zinc/63/74/75/907637475.db2.gz BUZRKDAJLGNSEP-UHFFFAOYSA-N 1 2 288.355 1.200 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)Cc2cc(C)on2)C1 ZINC001189281081 921398054 /nfs/dbraw/zinc/39/80/54/921398054.db2.gz XSMUEPSKFYXPFL-AWEZNQCLSA-N 1 2 277.368 1.982 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C)on2)C1 ZINC001189281081 921398064 /nfs/dbraw/zinc/39/80/64/921398064.db2.gz XSMUEPSKFYXPFL-AWEZNQCLSA-N 1 2 277.368 1.982 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2nnc(C)o2)C1 ZINC001189318274 921426933 /nfs/dbraw/zinc/42/69/33/921426933.db2.gz IMFPDTQYSVVDCB-WCQYABFASA-N 1 2 292.383 1.938 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2nnc(C)o2)C1 ZINC001189318274 921426939 /nfs/dbraw/zinc/42/69/39/921426939.db2.gz IMFPDTQYSVVDCB-WCQYABFASA-N 1 2 292.383 1.938 20 30 CDEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H](C)OC)CC2)C1 ZINC001093512915 909887244 /nfs/dbraw/zinc/88/72/44/909887244.db2.gz ZVHKYCNCYHQEBP-CYBMUJFWSA-N 1 2 296.411 1.289 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001094030404 910271430 /nfs/dbraw/zinc/27/14/30/910271430.db2.gz REJWKSWWVJZMCS-UHFFFAOYSA-N 1 2 262.357 1.915 20 30 CDEDLO N#Cc1cccnc1NCCCNC(=O)CCn1cc[nH+]c1 ZINC001094688771 910739616 /nfs/dbraw/zinc/73/96/16/910739616.db2.gz BZCMBKRWVYRLHK-UHFFFAOYSA-N 1 2 298.350 1.158 20 30 CDEDLO CCOC(=O)C1(C)CCC(N2CC[NH2+]C[C@@H]2C#N)CC1 ZINC001171951445 911018363 /nfs/dbraw/zinc/01/83/63/911018363.db2.gz SCZLZTGZWNOKQY-OWYJLGKBSA-N 1 2 279.384 1.296 20 30 CDEDLO N#C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC001178100532 915167556 /nfs/dbraw/zinc/16/75/56/915167556.db2.gz XANHKLKOCNKSRX-KGLIPLIRSA-N 1 2 280.331 1.827 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C#Cc2ccc(F)cc2F)CC1 ZINC001178570137 915522588 /nfs/dbraw/zinc/52/25/88/915522588.db2.gz POPPHRXRELHSEF-UHFFFAOYSA-N 1 2 290.313 1.647 20 30 CDEDLO C=CCCC(=O)NCC[NH2+]Cc1nc(C(F)F)no1 ZINC001124636525 936327008 /nfs/dbraw/zinc/32/70/08/936327008.db2.gz SCVPICWFQGBTHK-UHFFFAOYSA-N 1 2 274.271 1.179 20 30 CDEDLO C=CC(C)(C)C(=O)N(C)C[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001124683617 936330424 /nfs/dbraw/zinc/33/04/24/936330424.db2.gz LNBBHHPSHDGYEE-LBPRGKRZSA-N 1 2 292.383 1.228 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001097722488 936354983 /nfs/dbraw/zinc/35/49/83/936354983.db2.gz DBLONZPRENAQKH-NEPJUHHUSA-N 1 2 292.383 1.683 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2c[nH]c3ccc(O)cc23)CC1 ZINC001180661674 916565789 /nfs/dbraw/zinc/56/57/89/916565789.db2.gz MHCRMGSPJFQKKW-UHFFFAOYSA-N 1 2 299.374 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ncccn1 ZINC001485361889 916883176 /nfs/dbraw/zinc/88/31/76/916883176.db2.gz AEUVJYIGJJLLAX-JTQLQIEISA-N 1 2 268.748 1.279 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ncccn1 ZINC001485361889 916883187 /nfs/dbraw/zinc/88/31/87/916883187.db2.gz AEUVJYIGJJLLAX-JTQLQIEISA-N 1 2 268.748 1.279 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cn(CCC)nn1 ZINC001485371485 916898230 /nfs/dbraw/zinc/89/82/30/916898230.db2.gz MHZIWDHZWRJUQR-LLVKDONJSA-N 1 2 299.806 1.491 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cn(CCC)nn1 ZINC001485371485 916898247 /nfs/dbraw/zinc/89/82/47/916898247.db2.gz MHZIWDHZWRJUQR-LLVKDONJSA-N 1 2 299.806 1.491 20 30 CDEDLO Cc1cc(NC/C=C/CNC(=O)[C@@H](C)C#N)nc(C2CC2)[nH+]1 ZINC001107081166 917987977 /nfs/dbraw/zinc/98/79/77/917987977.db2.gz YDLIUCKULCRBKC-UFFNRZRYSA-N 1 2 299.378 1.906 20 30 CDEDLO C[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccc(C#N)cc1 ZINC001182800978 918136393 /nfs/dbraw/zinc/13/63/93/918136393.db2.gz WSGRDLBLZCLXSC-SWLSCSKDSA-N 1 2 287.363 1.109 20 30 CDEDLO C[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccc(C#N)cc1 ZINC001182800978 918136401 /nfs/dbraw/zinc/13/64/01/918136401.db2.gz WSGRDLBLZCLXSC-SWLSCSKDSA-N 1 2 287.363 1.109 20 30 CDEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C(C)(C)CC)nn2)C1 ZINC001107202780 918259894 /nfs/dbraw/zinc/25/98/94/918259894.db2.gz XPORFZCIFKSQSI-UHFFFAOYSA-N 1 2 291.399 1.373 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ncoc2CC)C1 ZINC001107832039 918847434 /nfs/dbraw/zinc/84/74/34/918847434.db2.gz QQDYDQJRXSJGEQ-OAHLLOKOSA-N 1 2 293.367 1.244 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ncoc2CC)C1 ZINC001107832039 918847442 /nfs/dbraw/zinc/84/74/42/918847442.db2.gz QQDYDQJRXSJGEQ-OAHLLOKOSA-N 1 2 293.367 1.244 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ncccc2C)C1 ZINC001107854227 918897553 /nfs/dbraw/zinc/89/75/53/918897553.db2.gz CMCLDUIPDNTTSQ-INIZCTEOSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ncccc2C)C1 ZINC001107854227 918897566 /nfs/dbraw/zinc/89/75/66/918897566.db2.gz CMCLDUIPDNTTSQ-INIZCTEOSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CC(F)(F)C2)C1 ZINC001107857564 918899002 /nfs/dbraw/zinc/89/90/02/918899002.db2.gz XFJVBARNUBDMID-ZDUSSCGKSA-N 1 2 288.338 1.425 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CC(F)(F)C2)C1 ZINC001107857564 918899008 /nfs/dbraw/zinc/89/90/08/918899008.db2.gz XFJVBARNUBDMID-ZDUSSCGKSA-N 1 2 288.338 1.425 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2=CCCC2)C1 ZINC001107866510 918929220 /nfs/dbraw/zinc/92/92/20/918929220.db2.gz OSPPAHRUQXOXFZ-OAHLLOKOSA-N 1 2 264.369 1.490 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2=CCCC2)C1 ZINC001107866510 918929232 /nfs/dbraw/zinc/92/92/32/918929232.db2.gz OSPPAHRUQXOXFZ-OAHLLOKOSA-N 1 2 264.369 1.490 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)SC)C1 ZINC001107875375 918963235 /nfs/dbraw/zinc/96/32/35/918963235.db2.gz XSXHGTBDVIKKDF-DZGCQCFKSA-N 1 2 298.452 1.358 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)SC)C1 ZINC001107875375 918963257 /nfs/dbraw/zinc/96/32/57/918963257.db2.gz XSXHGTBDVIKKDF-DZGCQCFKSA-N 1 2 298.452 1.358 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CO[C@H](C)CC)C1 ZINC001107879042 918965304 /nfs/dbraw/zinc/96/53/04/918965304.db2.gz PEKWIZWUHDFRBA-ZBFHGGJFSA-N 1 2 296.411 1.032 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CO[C@H](C)CC)C1 ZINC001107879042 918965317 /nfs/dbraw/zinc/96/53/17/918965317.db2.gz PEKWIZWUHDFRBA-ZBFHGGJFSA-N 1 2 296.411 1.032 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CC(=O)N3CCC[C@@H]3C2)cc1 ZINC001138557899 936546018 /nfs/dbraw/zinc/54/60/18/936546018.db2.gz VGBWTARKWVQBEU-OAHLLOKOSA-N 1 2 284.359 1.505 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CC(=O)N3CCC[C@@H]3C2)cc1 ZINC001138557899 936546019 /nfs/dbraw/zinc/54/60/19/936546019.db2.gz VGBWTARKWVQBEU-OAHLLOKOSA-N 1 2 284.359 1.505 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)=C2CCC2)C1 ZINC001107935407 919078985 /nfs/dbraw/zinc/07/89/85/919078985.db2.gz BIWQNQNPLSIPGU-INIZCTEOSA-N 1 2 278.396 1.880 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)=C2CCC2)C1 ZINC001107935407 919079001 /nfs/dbraw/zinc/07/90/01/919079001.db2.gz BIWQNQNPLSIPGU-INIZCTEOSA-N 1 2 278.396 1.880 20 30 CDEDLO C=C(C)CN1C[C@]2(CC[N@H+](Cc3ccon3)C2)OCC1=O ZINC001272758604 919115369 /nfs/dbraw/zinc/11/53/69/919115369.db2.gz OPCIHTDWNHOFGE-OAHLLOKOSA-N 1 2 291.351 1.054 20 30 CDEDLO C=C(C)CN1C[C@]2(CC[N@@H+](Cc3ccon3)C2)OCC1=O ZINC001272758604 919115380 /nfs/dbraw/zinc/11/53/80/919115380.db2.gz OPCIHTDWNHOFGE-OAHLLOKOSA-N 1 2 291.351 1.054 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001128081199 919747896 /nfs/dbraw/zinc/74/78/96/919747896.db2.gz GCOXVHHKBMDTBG-UHFFFAOYSA-N 1 2 278.356 1.352 20 30 CDEDLO COc1ncc(C[N@@H+]2CCC[C@H](C#N)CC2)c(OC)n1 ZINC001139233696 936610630 /nfs/dbraw/zinc/61/06/30/936610630.db2.gz WQPFZWVLEAOIQC-NSHDSACASA-N 1 2 276.340 1.619 20 30 CDEDLO COc1ncc(C[N@H+]2CCC[C@H](C#N)CC2)c(OC)n1 ZINC001139233696 936610632 /nfs/dbraw/zinc/61/06/32/936610632.db2.gz WQPFZWVLEAOIQC-NSHDSACASA-N 1 2 276.340 1.619 20 30 CDEDLO CNC(=O)c1ccc([NH+]=C(NO)c2ccccc2N)cn1 ZINC001203641777 920102187 /nfs/dbraw/zinc/10/21/87/920102187.db2.gz LRPNGHZOAJYZMH-UHFFFAOYSA-N 1 2 285.307 1.081 20 30 CDEDLO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](C#N)C2)cc1 ZINC001139777383 936646631 /nfs/dbraw/zinc/64/66/31/936646631.db2.gz JCJHOPGYXMKKPH-ZDUSSCGKSA-N 1 2 274.320 1.584 20 30 CDEDLO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](C#N)C2)cc1 ZINC001139777383 936646633 /nfs/dbraw/zinc/64/66/33/936646633.db2.gz JCJHOPGYXMKKPH-ZDUSSCGKSA-N 1 2 274.320 1.584 20 30 CDEDLO C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190269688 921946492 /nfs/dbraw/zinc/94/64/92/921946492.db2.gz KOGDHPUSHGNSOA-VHSXEESVSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CCC[N@H+](C)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190269688 921946504 /nfs/dbraw/zinc/94/65/04/921946504.db2.gz KOGDHPUSHGNSOA-VHSXEESVSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001190269688 921946521 /nfs/dbraw/zinc/94/65/21/921946521.db2.gz KOGDHPUSHGNSOA-VHSXEESVSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001190269688 921946531 /nfs/dbraw/zinc/94/65/31/921946531.db2.gz KOGDHPUSHGNSOA-VHSXEESVSA-N 1 2 280.265 1.443 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CC2(C)CC2)C1 ZINC001108080463 921950016 /nfs/dbraw/zinc/95/00/16/921950016.db2.gz OOLSVVHTAOTJOJ-MRXNPFEDSA-N 1 2 278.396 1.407 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CC2(C)CC2)C1 ZINC001108080463 921950026 /nfs/dbraw/zinc/95/00/26/921950026.db2.gz OOLSVVHTAOTJOJ-MRXNPFEDSA-N 1 2 278.396 1.407 20 30 CDEDLO C#C[C@H](C)NC(=O)c1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC001190865441 922268377 /nfs/dbraw/zinc/26/83/77/922268377.db2.gz CZGZNLOFPCFYEN-HNNXBMFYSA-N 1 2 299.418 1.576 20 30 CDEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3[nH]nnc3c1)C2 ZINC001098376092 936749960 /nfs/dbraw/zinc/74/99/60/936749960.db2.gz SZYTUIFWZNHCRF-DFBGVHRSSA-N 1 2 297.362 1.479 20 30 CDEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3[nH]nnc3c1)C2 ZINC001098376092 936749961 /nfs/dbraw/zinc/74/99/61/936749961.db2.gz SZYTUIFWZNHCRF-DFBGVHRSSA-N 1 2 297.362 1.479 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc[nH]c2C)[C@H](O)C1 ZINC001090172575 922438969 /nfs/dbraw/zinc/43/89/69/922438969.db2.gz AVBTUJLUORUXTB-QWHCGFSZSA-N 1 2 297.786 1.241 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c2C)[C@H](O)C1 ZINC001090172575 922438973 /nfs/dbraw/zinc/43/89/73/922438973.db2.gz AVBTUJLUORUXTB-QWHCGFSZSA-N 1 2 297.786 1.241 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCC2CC2)C1 ZINC001108145465 922764596 /nfs/dbraw/zinc/76/45/96/922764596.db2.gz KGNTYCYIPPCKDB-KRWDZBQOSA-N 1 2 292.423 1.797 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCC2CC2)C1 ZINC001108145465 922764608 /nfs/dbraw/zinc/76/46/08/922764608.db2.gz KGNTYCYIPPCKDB-KRWDZBQOSA-N 1 2 292.423 1.797 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C)n[nH]2)C1 ZINC001203083282 936784886 /nfs/dbraw/zinc/78/48/86/936784886.db2.gz GIDNKRWMYKVCKT-LBPRGKRZSA-N 1 2 278.356 1.595 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)n[nH]2)C1 ZINC001203083282 936784887 /nfs/dbraw/zinc/78/48/87/936784887.db2.gz GIDNKRWMYKVCKT-LBPRGKRZSA-N 1 2 278.356 1.595 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2cnccc2C)CC1 ZINC001141037336 936797037 /nfs/dbraw/zinc/79/70/37/936797037.db2.gz QMNFXTXXPPVHEK-UHFFFAOYSA-N 1 2 273.336 1.669 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cccc(OC)c2F)CC1 ZINC001141222851 936831382 /nfs/dbraw/zinc/83/13/82/936831382.db2.gz WATCKJYBHWHLQT-UHFFFAOYSA-N 1 2 262.328 1.585 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001079507981 924334644 /nfs/dbraw/zinc/33/46/44/924334644.db2.gz JTMWNEPJUVKZNN-ZWNOBZJWSA-N 1 2 274.368 1.100 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001079507981 924334647 /nfs/dbraw/zinc/33/46/47/924334647.db2.gz JTMWNEPJUVKZNN-ZWNOBZJWSA-N 1 2 274.368 1.100 20 30 CDEDLO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2sc(Cl)nc2C)C1 ZINC001079774110 924427198 /nfs/dbraw/zinc/42/71/98/924427198.db2.gz PWKDCXBXIWDEIA-PSASIEDQSA-N 1 2 297.811 1.788 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2sc(Cl)nc2C)C1 ZINC001079774110 924427201 /nfs/dbraw/zinc/42/72/01/924427201.db2.gz PWKDCXBXIWDEIA-PSASIEDQSA-N 1 2 297.811 1.788 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)cs2)[C@H](OC)C1 ZINC001081638685 924772831 /nfs/dbraw/zinc/77/28/31/924772831.db2.gz XUHFNVUDEMRFAQ-VXGBXAGGSA-N 1 2 278.377 1.119 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)cs2)[C@H](OC)C1 ZINC001081638685 924772836 /nfs/dbraw/zinc/77/28/36/924772836.db2.gz XUHFNVUDEMRFAQ-VXGBXAGGSA-N 1 2 278.377 1.119 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2sc(C)cc2C)[C@H](OC)C1 ZINC001081739059 924787615 /nfs/dbraw/zinc/78/76/15/924787615.db2.gz FKSRRCAMVDVTDX-CHWSQXEVSA-N 1 2 292.404 1.427 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2sc(C)cc2C)[C@H](OC)C1 ZINC001081739059 924787621 /nfs/dbraw/zinc/78/76/21/924787621.db2.gz FKSRRCAMVDVTDX-CHWSQXEVSA-N 1 2 292.404 1.427 20 30 CDEDLO C=CCCCC(=O)N1CCC[N@H+](CC(=O)NCC=C)CC1 ZINC001196984805 925026321 /nfs/dbraw/zinc/02/63/21/925026321.db2.gz QIFLITLGWOTMMP-UHFFFAOYSA-N 1 2 293.411 1.179 20 30 CDEDLO C=CCCCC(=O)N1CCC[N@@H+](CC(=O)NCC=C)CC1 ZINC001196984805 925026330 /nfs/dbraw/zinc/02/63/30/925026330.db2.gz QIFLITLGWOTMMP-UHFFFAOYSA-N 1 2 293.411 1.179 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1CC2(C[NH+](CC=C)C2)n2ccnc21 ZINC001101626083 936995319 /nfs/dbraw/zinc/99/53/19/936995319.db2.gz VHCDPVWPEBIAJF-CQSZACIVSA-N 1 2 298.390 1.445 20 30 CDEDLO Cc1ncc(C[N@H+]2CC[C@@H]2CN(C)C(=O)[C@H](C)C#N)o1 ZINC001231293545 925695473 /nfs/dbraw/zinc/69/54/73/925695473.db2.gz OFNRKKAUGZLIHG-ZYHUDNBSSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1ncc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)[C@H](C)C#N)o1 ZINC001231293545 925695476 /nfs/dbraw/zinc/69/54/76/925695476.db2.gz OFNRKKAUGZLIHG-ZYHUDNBSSA-N 1 2 276.340 1.175 20 30 CDEDLO C=C(C)CCC(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC001120678583 937825293 /nfs/dbraw/zinc/82/52/93/937825293.db2.gz IMEDBYRQZRNVQH-CYBMUJFWSA-N 1 2 262.357 1.249 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CC3(CC3)C2)C1 ZINC001108205168 926314300 /nfs/dbraw/zinc/31/43/00/926314300.db2.gz IGBDYWGAVSQGRG-HNNXBMFYSA-N 1 2 278.396 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CC3(CC3)C2)C1 ZINC001108205168 926314310 /nfs/dbraw/zinc/31/43/10/926314310.db2.gz IGBDYWGAVSQGRG-HNNXBMFYSA-N 1 2 278.396 1.570 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)c(C)n1 ZINC001085725672 926323539 /nfs/dbraw/zinc/32/35/39/926323539.db2.gz CJNLLOBJAYCJKO-CQSZACIVSA-N 1 2 271.364 1.478 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)c(C)n1 ZINC001085725672 926323544 /nfs/dbraw/zinc/32/35/44/926323544.db2.gz CJNLLOBJAYCJKO-CQSZACIVSA-N 1 2 271.364 1.478 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1OCCc2ccccc21 ZINC001085756224 926366384 /nfs/dbraw/zinc/36/63/84/926366384.db2.gz 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C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)CCOC)C1 ZINC001108409652 927525462 /nfs/dbraw/zinc/52/54/62/927525462.db2.gz YVBCIPQJANZCHS-HIFRSBDPSA-N 1 2 284.400 1.052 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)CCOC)C1 ZINC001108409652 927525471 /nfs/dbraw/zinc/52/54/71/927525471.db2.gz YVBCIPQJANZCHS-HIFRSBDPSA-N 1 2 284.400 1.052 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc(C#N)c3[nH]ccc32)C[NH2+]1 ZINC001169132605 927747120 /nfs/dbraw/zinc/74/71/20/927747120.db2.gz SYSYZQJZGKKGKX-MFKMUULPSA-N 1 2 284.319 1.355 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[NH2+]Cc1cnsn1 ZINC001134410146 929734234 /nfs/dbraw/zinc/73/42/34/929734234.db2.gz FQBQLCLYKXQVHG-UHFFFAOYSA-N 1 2 268.386 1.346 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[NH2+]Cc1nc(COC)no1 ZINC001134410436 929735453 /nfs/dbraw/zinc/73/54/53/929735453.db2.gz QEDDDFNHOARVOG-UHFFFAOYSA-N 1 2 296.371 1.024 20 30 CDEDLO NC(=[NH+]OCC(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000029464339 930381514 /nfs/dbraw/zinc/38/15/14/930381514.db2.gz QGZFNWAIKPQEHS-UHFFFAOYSA-N 1 2 279.315 1.521 20 30 CDEDLO CC(=O)[C@H](C)N1CC[C@]2(CCC[N@H+](CCC#N)CC2)C1=O ZINC001274030939 931130163 /nfs/dbraw/zinc/13/01/63/931130163.db2.gz BZILCVFRNNTPJU-XJKSGUPXSA-N 1 2 291.395 1.582 20 30 CDEDLO CC(=O)[C@H](C)N1CC[C@]2(CCC[N@@H+](CCC#N)CC2)C1=O ZINC001274030939 931130167 /nfs/dbraw/zinc/13/01/67/931130167.db2.gz BZILCVFRNNTPJU-XJKSGUPXSA-N 1 2 291.395 1.582 20 30 CDEDLO CCCCNC(=O)[C@H]1CC12CC[NH+](CCC#N)CC2 ZINC001274031660 931130579 /nfs/dbraw/zinc/13/05/79/931130579.db2.gz WZNDSALANAKOKW-CYBMUJFWSA-N 1 2 263.385 1.918 20 30 CDEDLO CC[C@@H](C)N1CC2(C[NH+](CCCCC#N)C2)OCC1=O ZINC001274040059 931138793 /nfs/dbraw/zinc/13/87/93/931138793.db2.gz FOTCIMAHRUWOPH-CYBMUJFWSA-N 1 2 279.384 1.392 20 30 CDEDLO CC[C@H](C)N1C(=O)COCC12C[NH+](CCCC#N)C2 ZINC001274039180 931139635 /nfs/dbraw/zinc/13/96/35/931139635.db2.gz SWKZUXPBSXPYJD-LBPRGKRZSA-N 1 2 265.357 1.002 20 30 CDEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cnc[nH]1)C2 ZINC001136869910 931428534 /nfs/dbraw/zinc/42/85/34/931428534.db2.gz BQCUCJUWSPZQMT-GJZGRUSLSA-N 1 2 277.368 1.736 20 30 CDEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cnc[nH]1)C2 ZINC001136869910 931428541 /nfs/dbraw/zinc/42/85/41/931428541.db2.gz BQCUCJUWSPZQMT-GJZGRUSLSA-N 1 2 277.368 1.736 20 30 CDEDLO C#CCCCC(=O)NC1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001095410074 931447903 /nfs/dbraw/zinc/44/79/03/931447903.db2.gz QZRKRVKRTKGGMI-UHFFFAOYSA-N 1 2 286.379 1.674 20 30 CDEDLO C=C(C)CN1CC2(C[NH+](C[C@@H](O)CCCC)C2)OCC1=O ZINC001274573220 931509615 /nfs/dbraw/zinc/50/96/15/931509615.db2.gz RSTMJIGCVOLWON-AWEZNQCLSA-N 1 2 296.411 1.027 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCc3ccccc3N2)CC1 ZINC001160436592 931548368 /nfs/dbraw/zinc/54/83/68/931548368.db2.gz LFTAGJMFUDCQCD-MRXNPFEDSA-N 1 2 285.391 1.744 20 30 CDEDLO C#CCN1CCC2(CCN(c3cccc[nH+]3)CC2)C1=O ZINC001274739621 931563687 /nfs/dbraw/zinc/56/36/87/931563687.db2.gz LWWOEHDZOLCQMY-UHFFFAOYSA-N 1 2 269.348 1.534 20 30 CDEDLO C=CC[C@H](C)C(=O)N1CCN(c2cc[nH+]c(OC)c2)CC1 ZINC001144019767 931628579 /nfs/dbraw/zinc/62/85/79/931628579.db2.gz FYBABMAUJQWUQV-ZDUSSCGKSA-N 1 2 289.379 1.951 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc3cc[nH]c3n2)CC1 ZINC001144186665 931698607 /nfs/dbraw/zinc/69/86/07/931698607.db2.gz CMQVLLJKAQCEFQ-UHFFFAOYSA-N 1 2 298.346 1.842 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001411752912 931998163 /nfs/dbraw/zinc/99/81/63/931998163.db2.gz XWSDSEHMUONSOT-CYBMUJFWSA-N 1 2 283.335 1.869 20 30 CDEDLO CC(C)NC(=O)N1CCC12C[NH+](Cc1ccc(C#N)cc1)C2 ZINC001275829246 932072514 /nfs/dbraw/zinc/07/25/14/932072514.db2.gz TXIORALMSOTKTD-UHFFFAOYSA-N 1 2 298.390 1.936 20 30 CDEDLO N#CCC[N@H+](Cc1ccccc1)C[C@H]1CCC(=O)N1 ZINC001202796887 935712584 /nfs/dbraw/zinc/71/25/84/935712584.db2.gz NVJGXXCFBCUOFW-CQSZACIVSA-N 1 2 257.337 1.681 20 30 CDEDLO N#CCC[N@@H+](Cc1ccccc1)C[C@H]1CCC(=O)N1 ZINC001202796887 935712587 /nfs/dbraw/zinc/71/25/87/935712587.db2.gz NVJGXXCFBCUOFW-CQSZACIVSA-N 1 2 257.337 1.681 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCCCN2C(=O)CC)C1 ZINC001042775237 935829168 /nfs/dbraw/zinc/82/91/68/935829168.db2.gz ZHELNRSDKWDKCH-CQSZACIVSA-N 1 2 293.411 1.106 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(F)c(F)cc2F)C1 ZINC001043687237 935842953 /nfs/dbraw/zinc/84/29/53/935842953.db2.gz NDUFLBTXLZRRGM-UHFFFAOYSA-N 1 2 296.292 1.883 20 30 CDEDLO C=CCOCC(=O)N1C[C@@H](Nc2cc[nH+]c(C)n2)C[C@@H]1C ZINC001123213546 936126723 /nfs/dbraw/zinc/12/67/23/936126723.db2.gz LQOCCSCJEXIKME-AAEUAGOBSA-N 1 2 290.367 1.389 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)NC1(C#N)CCCCC1 ZINC001123635870 936191654 /nfs/dbraw/zinc/19/16/54/936191654.db2.gz IAHACWJBLPNXBV-UHFFFAOYSA-N 1 2 260.341 1.695 20 30 CDEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097042807 936261400 /nfs/dbraw/zinc/26/14/00/936261400.db2.gz XKUHSECWMPBQJG-RAIGVLPGSA-N 1 2 290.367 1.435 20 30 CDEDLO C=CCOCC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097169036 936277363 /nfs/dbraw/zinc/27/73/63/936277363.db2.gz YBMOKMHYQHFIMK-TXEJJXNPSA-N 1 2 276.340 1.047 20 30 CDEDLO C=CCCCC(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122507711 937938214 /nfs/dbraw/zinc/93/82/14/937938214.db2.gz FKKAAFUSYAZRQH-LBPRGKRZSA-N 1 2 278.356 1.030 20 30 CDEDLO CN1C(=O)CC[C@@H]2CN(c3cc(CC#N)cc[nH+]3)CC[C@@H]21 ZINC001158657065 938647565 /nfs/dbraw/zinc/64/75/65/938647565.db2.gz GYEVBTIKLSHPBP-KGLIPLIRSA-N 1 2 284.363 1.595 20 30 CDEDLO CCOC(=O)C1(C#N)CCN(Cc2c[nH+]cn2C)CC1 ZINC001204387354 938676925 /nfs/dbraw/zinc/67/69/25/938676925.db2.gz MZUKFDRCKBVGBZ-UHFFFAOYSA-N 1 2 276.340 1.089 20 30 CDEDLO C#CCCN1CCC[C@H](Nc2cc(COC)cc[nH+]2)C1=O ZINC001160899130 938840506 /nfs/dbraw/zinc/84/05/06/938840506.db2.gz ZVZLGUFSYDGPBZ-AWEZNQCLSA-N 1 2 287.363 1.654 20 30 CDEDLO COc1cc[nH+]c(C(C)(C)CNc2cc(C)nc(C#N)n2)c1 ZINC001162130100 938957061 /nfs/dbraw/zinc/95/70/61/938957061.db2.gz XOOSZDZABHSIEM-UHFFFAOYSA-N 1 2 297.362 1.872 20 30 CDEDLO COC(=O)N1CCN(c2cc(CC#N)cc[nH+]2)CC1 ZINC001163684114 939308229 /nfs/dbraw/zinc/30/82/29/939308229.db2.gz WBRHAGYEHODBIQ-UHFFFAOYSA-N 1 2 260.297 1.036 20 30 CDEDLO N#CCc1ccnc(N2CC[NH2+]CC(F)(F)C2)c1 ZINC001164497399 939479241 /nfs/dbraw/zinc/47/92/41/939479241.db2.gz HDTONQFWFUYFRL-UHFFFAOYSA-N 1 2 252.268 1.193 20 30 CDEDLO N#Cc1ncc(-c2ccc(C[NH+]3CCOCC3)cc2F)cn1 ZINC001206703163 940080300 /nfs/dbraw/zinc/08/03/00/940080300.db2.gz FIJUYWPAOCJFMC-UHFFFAOYSA-N 1 2 298.321 1.987 20 30 CDEDLO C=CCN(CC[N@@H+]1CC[C@@H](O)[C@H](F)C1)C(=O)OCC ZINC001209016720 940421646 /nfs/dbraw/zinc/42/16/46/940421646.db2.gz DUUKASAJNYBPAI-VXGBXAGGSA-N 1 2 274.336 1.036 20 30 CDEDLO C=CCN(CC[N@H+]1CC[C@@H](O)[C@H](F)C1)C(=O)OCC ZINC001209016720 940421648 /nfs/dbraw/zinc/42/16/48/940421648.db2.gz DUUKASAJNYBPAI-VXGBXAGGSA-N 1 2 274.336 1.036 20 30 CDEDLO C=C[C@@H](C#CC(C)(C)C)OCC[NH+]1CCOCC1 ZINC001210224826 940672709 /nfs/dbraw/zinc/67/27/09/940672709.db2.gz JHRNFQWMODHHLF-AWEZNQCLSA-N 1 2 251.370 1.939 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CCCCC)C(C)C)[C@@H](O)C1 ZINC001220711742 941465722 /nfs/dbraw/zinc/46/57/22/941465722.db2.gz NSXQDQWELAUAFK-XHSDSOJGSA-N 1 2 294.439 1.633 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CCCCC)C(C)C)[C@@H](O)C1 ZINC001220711742 941465725 /nfs/dbraw/zinc/46/57/25/941465725.db2.gz NSXQDQWELAUAFK-XHSDSOJGSA-N 1 2 294.439 1.633 20 30 CDEDLO CC#CC[NH+]1CCC(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001223265280 941666322 /nfs/dbraw/zinc/66/63/22/941666322.db2.gz DJNCGVNYZJUGML-NSHDSACASA-N 1 2 294.292 1.738 20 30 CDEDLO CC#CC[NH+]1CCC(CNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001223265280 941666324 /nfs/dbraw/zinc/66/63/24/941666324.db2.gz DJNCGVNYZJUGML-NSHDSACASA-N 1 2 294.292 1.738 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4[nH]cnc4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226927743 942096344 /nfs/dbraw/zinc/09/63/44/942096344.db2.gz AOLICXVMHHOHPM-BSRWDCPYSA-N 1 2 271.320 1.554 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4[nH]cnc4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226927743 942096349 /nfs/dbraw/zinc/09/63/49/942096349.db2.gz AOLICXVMHHOHPM-BSRWDCPYSA-N 1 2 271.320 1.554 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(F)cc3C#N)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227023348 942117074 /nfs/dbraw/zinc/11/70/74/942117074.db2.gz GFGUXJUJOVXMEL-KYFMZXIUSA-N 1 2 274.295 1.689 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(F)cc3C#N)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227023348 942117077 /nfs/dbraw/zinc/11/70/77/942117077.db2.gz GFGUXJUJOVXMEL-KYFMZXIUSA-N 1 2 274.295 1.689 20 30 CDEDLO Cc1cccc(O)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001227140208 942140374 /nfs/dbraw/zinc/14/03/74/942140374.db2.gz WSNCNVVMRBRAMT-RBRDRRMGSA-N 1 2 261.321 1.692 20 30 CDEDLO Cc1cccc(O)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001227140208 942140377 /nfs/dbraw/zinc/14/03/77/942140377.db2.gz WSNCNVVMRBRAMT-RBRDRRMGSA-N 1 2 261.321 1.692 20 30 CDEDLO COCCC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230485938 942623522 /nfs/dbraw/zinc/62/35/22/942623522.db2.gz OEGQMMYHYVZIQZ-CQSZACIVSA-N 1 2 279.384 1.249 20 30 CDEDLO COCCC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001230485938 942623523 /nfs/dbraw/zinc/62/35/23/942623523.db2.gz OEGQMMYHYVZIQZ-CQSZACIVSA-N 1 2 279.384 1.249 20 30 CDEDLO Cc1nc(C)c(C[N@H+]2CC[C@H]2CN(C)C(=O)[C@@H](C)C#N)o1 ZINC001231293646 942847275 /nfs/dbraw/zinc/84/72/75/942847275.db2.gz PFXZIKVNUDBHTL-GWCFXTLKSA-N 1 2 290.367 1.484 20 30 CDEDLO Cc1nc(C)c(C[N@@H+]2CC[C@H]2CN(C)C(=O)[C@@H](C)C#N)o1 ZINC001231293646 942847282 /nfs/dbraw/zinc/84/72/82/942847282.db2.gz PFXZIKVNUDBHTL-GWCFXTLKSA-N 1 2 290.367 1.484 20 30 CDEDLO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)n1 ZINC001231671354 942972708 /nfs/dbraw/zinc/97/27/08/942972708.db2.gz TUXFLNIOEXXXHB-CYBMUJFWSA-N 1 2 276.361 1.870 20 30 CDEDLO Cc1ccc(O)c(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)n1 ZINC001231671354 942972719 /nfs/dbraw/zinc/97/27/19/942972719.db2.gz TUXFLNIOEXXXHB-CYBMUJFWSA-N 1 2 276.361 1.870 20 30 CDEDLO C=CCN1CC[NH+](Cc2cn(C)nc2C2CC2)CC1 ZINC001232171140 943158690 /nfs/dbraw/zinc/15/86/90/943158690.db2.gz KCZFLGNPIGQKLW-UHFFFAOYSA-N 1 2 260.385 1.601 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(OCC)nc2C)CC1 ZINC001232309887 943213264 /nfs/dbraw/zinc/21/32/64/943213264.db2.gz HURIEEURHNJONZ-UHFFFAOYSA-N 1 2 273.380 1.540 20 30 CDEDLO C#CCN1CC[NH+](Cc2ccc(OCC)nc2C)CC1 ZINC001232309887 943213268 /nfs/dbraw/zinc/21/32/68/943213268.db2.gz HURIEEURHNJONZ-UHFFFAOYSA-N 1 2 273.380 1.540 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2C[C@@H](F)C[C@H](CO)C2)c1 ZINC001232674177 943356654 /nfs/dbraw/zinc/35/66/54/943356654.db2.gz SPTXVKZBAXQPMF-AAEUAGOBSA-N 1 2 264.300 1.416 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)c1 ZINC001232674177 943356660 /nfs/dbraw/zinc/35/66/60/943356660.db2.gz SPTXVKZBAXQPMF-AAEUAGOBSA-N 1 2 264.300 1.416 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232679095 943363537 /nfs/dbraw/zinc/36/35/37/943363537.db2.gz ZYRPOMJMWNCAGO-SMDDNHRTSA-N 1 2 288.347 1.895 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232679095 943363545 /nfs/dbraw/zinc/36/35/45/943363545.db2.gz ZYRPOMJMWNCAGO-SMDDNHRTSA-N 1 2 288.347 1.895 20 30 CDEDLO COC(=O)CC1C[NH+](Cc2ccc(C)cc2C#N)C1 ZINC001232966045 943448067 /nfs/dbraw/zinc/44/80/67/943448067.db2.gz DHUOPYXYCPVFMJ-UHFFFAOYSA-N 1 2 258.321 1.862 20 30 CDEDLO C#CC[NH+]1CCN(Cc2[nH]nc3cc(F)ccc32)CC1 ZINC001233127441 943498261 /nfs/dbraw/zinc/49/82/61/943498261.db2.gz XBJTWADODXAFJK-UHFFFAOYSA-N 1 2 272.327 1.453 20 30 CDEDLO N#Cc1ccc(C[N@H+]2Cc3ccnn3CC[C@@H]2CO)c(O)c1 ZINC001233387676 943574679 /nfs/dbraw/zinc/57/46/79/943574679.db2.gz TTZDYXTUDBUAJX-OAHLLOKOSA-N 1 2 298.346 1.227 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2Cc3ccnn3CC[C@@H]2CO)c(O)c1 ZINC001233387676 943574681 /nfs/dbraw/zinc/57/46/81/943574681.db2.gz TTZDYXTUDBUAJX-OAHLLOKOSA-N 1 2 298.346 1.227 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2c(Cl)cccc2C#N)C1 ZINC001233551054 943614819 /nfs/dbraw/zinc/61/48/19/943614819.db2.gz NPZYDDUXQLNUHI-NSHDSACASA-N 1 2 266.728 1.921 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2c(Cl)cccc2C#N)C1 ZINC001233551054 943614820 /nfs/dbraw/zinc/61/48/20/943614820.db2.gz NPZYDDUXQLNUHI-NSHDSACASA-N 1 2 266.728 1.921 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cnn(C)c1 ZINC001233965967 943703524 /nfs/dbraw/zinc/70/35/24/943703524.db2.gz HJADEKLJNLLIBM-OAHLLOKOSA-N 1 2 288.395 1.256 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cnn(C)c1 ZINC001233965967 943703527 /nfs/dbraw/zinc/70/35/27/943703527.db2.gz HJADEKLJNLLIBM-OAHLLOKOSA-N 1 2 288.395 1.256 20 30 CDEDLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)[C@@H](C#N)c1nccn1C ZINC001263331998 943833805 /nfs/dbraw/zinc/83/38/05/943833805.db2.gz DJBIDTVYSNIEAE-VXGBXAGGSA-N 1 2 260.341 1.469 20 30 CDEDLO CC(C)[N@H+]1CCC[C@@H]1C(=O)[C@@H](C#N)c1nccn1C ZINC001263331998 943833807 /nfs/dbraw/zinc/83/38/07/943833807.db2.gz DJBIDTVYSNIEAE-VXGBXAGGSA-N 1 2 260.341 1.469 20 30 CDEDLO N#CCCCN1CC[C@H]2C[N@@H+](Cc3cccc(=O)[nH]3)C[C@H]21 ZINC001277943570 944150404 /nfs/dbraw/zinc/15/04/04/944150404.db2.gz ZDLLCFAQVXVTJV-DZGCQCFKSA-N 1 2 286.379 1.597 20 30 CDEDLO N#CCCCN1CC[C@H]2C[N@H+](Cc3cccc(=O)[nH]3)C[C@H]21 ZINC001277943570 944150406 /nfs/dbraw/zinc/15/04/06/944150406.db2.gz ZDLLCFAQVXVTJV-DZGCQCFKSA-N 1 2 286.379 1.597 20 30 CDEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1CCCCO ZINC001235488833 944170726 /nfs/dbraw/zinc/17/07/26/944170726.db2.gz NBIOBFPTAKBRKL-AWEZNQCLSA-N 1 2 294.399 1.172 20 30 CDEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1CCCCO ZINC001235488833 944170728 /nfs/dbraw/zinc/17/07/28/944170728.db2.gz NBIOBFPTAKBRKL-AWEZNQCLSA-N 1 2 294.399 1.172 20 30 CDEDLO N#Cc1cccc(CCC[N@@H+]2CCn3cnc(CO)c3C2)c1 ZINC001235501244 944175615 /nfs/dbraw/zinc/17/56/15/944175615.db2.gz DDKMLRNKIBEZSL-UHFFFAOYSA-N 1 2 296.374 1.695 20 30 CDEDLO N#Cc1cccc(CCC[N@H+]2CCn3cnc(CO)c3C2)c1 ZINC001235501244 944175618 /nfs/dbraw/zinc/17/56/18/944175618.db2.gz DDKMLRNKIBEZSL-UHFFFAOYSA-N 1 2 296.374 1.695 20 30 CDEDLO C#CC[NH+]1CCN(Cc2nccc(C)c2Cl)CC1 ZINC001235587270 944211197 /nfs/dbraw/zinc/21/11/97/944211197.db2.gz AQPWCNMVNPWNEW-UHFFFAOYSA-N 1 2 263.772 1.794 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001265925472 944576013 /nfs/dbraw/zinc/57/60/13/944576013.db2.gz SLPVMTCJKMKIQV-STQMWFEESA-N 1 2 292.383 1.671 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c(F)cc1F ZINC001237526040 944825106 /nfs/dbraw/zinc/82/51/06/944825106.db2.gz YKEDVCRESKZJDI-SMDDNHRTSA-N 1 2 282.290 1.012 20 30 CDEDLO N#Cc1cc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c(F)cc1F ZINC001237526040 944825111 /nfs/dbraw/zinc/82/51/11/944825111.db2.gz YKEDVCRESKZJDI-SMDDNHRTSA-N 1 2 282.290 1.012 20 30 CDEDLO C=CCS(=O)(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001259927554 945712376 /nfs/dbraw/zinc/71/23/76/945712376.db2.gz LLKQMUMFHFVVNU-CQSZACIVSA-N 1 2 294.420 1.881 20 30 CDEDLO COC(=O)c1cc(-c2cc[nH+]c(N)c2)ccc1C#N ZINC001241170433 946179985 /nfs/dbraw/zinc/17/99/85/946179985.db2.gz NADLRGASGURLQO-UHFFFAOYSA-N 1 2 253.261 1.989 20 30 CDEDLO C=C1CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001262359949 946605719 /nfs/dbraw/zinc/60/57/19/946605719.db2.gz PXULDZBTAGFHAG-ZDUSSCGKSA-N 1 2 267.373 1.069 20 30 CDEDLO C=C1CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001262359949 946605725 /nfs/dbraw/zinc/60/57/25/946605725.db2.gz PXULDZBTAGFHAG-ZDUSSCGKSA-N 1 2 267.373 1.069 20 30 CDEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCCOC1 ZINC001254364179 947387215 /nfs/dbraw/zinc/38/72/15/947387215.db2.gz OZIAYSDMTGMRCE-OLZOCXBDSA-N 1 2 255.358 1.899 20 30 CDEDLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)N[C@H]1CC[C@@H](C#N)C1 ZINC001254655961 947574873 /nfs/dbraw/zinc/57/48/73/947574873.db2.gz HAOBMGTUYKQLID-DYEKYZERSA-N 1 2 290.367 1.176 20 30 CDEDLO COC[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C#N)C2)Cc2nnn(C)c21 ZINC001254658846 947575914 /nfs/dbraw/zinc/57/59/14/947575914.db2.gz JUYBRJSXVTVLIS-WOPDTQHZSA-N 1 2 275.356 1.053 20 30 CDEDLO COC[C@@H]1C[N@H+]([C@H]2CC[C@@H](C#N)C2)Cc2nnn(C)c21 ZINC001254658846 947575922 /nfs/dbraw/zinc/57/59/22/947575922.db2.gz JUYBRJSXVTVLIS-WOPDTQHZSA-N 1 2 275.356 1.053 20 30 CDEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(c3nccnc3Cl)CC2)C1 ZINC001254660266 947576731 /nfs/dbraw/zinc/57/67/31/947576731.db2.gz HCVIQGKOPSRKSZ-NEPJUHHUSA-N 1 2 291.786 1.944 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001255171793 947764235 /nfs/dbraw/zinc/76/42/35/947764235.db2.gz AZJOSMYOEMEYES-BYNSBNAKSA-N 1 2 264.369 1.804 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001255171793 947764239 /nfs/dbraw/zinc/76/42/39/947764239.db2.gz AZJOSMYOEMEYES-BYNSBNAKSA-N 1 2 264.369 1.804 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001255172367 947764526 /nfs/dbraw/zinc/76/45/26/947764526.db2.gz OCVXSVAHBFMKPI-UONOGXRCSA-N 1 2 279.384 1.392 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001255172367 947764533 /nfs/dbraw/zinc/76/45/33/947764533.db2.gz OCVXSVAHBFMKPI-UONOGXRCSA-N 1 2 279.384 1.392 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CC[C@@H](Oc2nccc(OC)n2)C1 ZINC001255177123 947766021 /nfs/dbraw/zinc/76/60/21/947766021.db2.gz MOARNLYWOOWKJY-VXGBXAGGSA-N 1 2 276.340 1.631 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CC[C@@H](Oc2nccc(OC)n2)C1 ZINC001255177123 947766025 /nfs/dbraw/zinc/76/60/25/947766025.db2.gz MOARNLYWOOWKJY-VXGBXAGGSA-N 1 2 276.340 1.631 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@H](NC(=O)N2CCOCC2)C1 ZINC001255177268 947766373 /nfs/dbraw/zinc/76/63/73/947766373.db2.gz PCQOKJPLPJRNSI-UONOGXRCSA-N 1 2 294.399 1.185 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CCC[C@H](NC(=O)N2CCOCC2)C1 ZINC001255177268 947766376 /nfs/dbraw/zinc/76/63/76/947766376.db2.gz PCQOKJPLPJRNSI-UONOGXRCSA-N 1 2 294.399 1.185 20 30 CDEDLO CCCCCCCC[C@H](O)CN1CC[NH2+]C[C@H]1C#N ZINC001246035316 947912885 /nfs/dbraw/zinc/91/28/85/947912885.db2.gz OZYHUZULNYZWQY-CABCVRRESA-N 1 2 267.417 1.895 20 30 CDEDLO COc1cccc(C[C@H](C)N2CC[NH2+]C[C@@H]2C#N)c1 ZINC001256159893 948219333 /nfs/dbraw/zinc/21/93/33/948219333.db2.gz KMHRHLCCFXMRID-JSGCOSHPSA-N 1 2 259.353 1.424 20 30 CDEDLO Cn1c(=O)cccc1C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001248806002 949170298 /nfs/dbraw/zinc/17/02/98/949170298.db2.gz POVPHCZZZFNRFE-GFCCVEGCSA-N 1 2 276.361 1.159 20 30 CDEDLO Cn1c(=O)cccc1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001248806002 949170317 /nfs/dbraw/zinc/17/03/17/949170317.db2.gz POVPHCZZZFNRFE-GFCCVEGCSA-N 1 2 276.361 1.159 20 30 CDEDLO N#Cc1cccc(N2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)c1 ZINC001250974913 950510028 /nfs/dbraw/zinc/51/00/28/950510028.db2.gz PVAPKYCTHQYCML-CYBMUJFWSA-N 1 2 299.296 1.603 20 30 CDEDLO C#CCOC[C@H](O)C[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC001251854600 950873625 /nfs/dbraw/zinc/87/36/25/950873625.db2.gz HYWQREVJCZPWFN-CQSZACIVSA-N 1 2 265.740 1.666 20 30 CDEDLO C#CCOC[C@H](O)C[N@H+]1Cc2ccc(Cl)cc2C1 ZINC001251854600 950873645 /nfs/dbraw/zinc/87/36/45/950873645.db2.gz HYWQREVJCZPWFN-CQSZACIVSA-N 1 2 265.740 1.666 20 30 CDEDLO C=CCOC[C@H](O)CNc1ccc(N2CCCC2)[nH+]c1 ZINC001252458773 951301369 /nfs/dbraw/zinc/30/13/69/951301369.db2.gz PINJGISBIJKAIE-CQSZACIVSA-N 1 2 277.368 1.657 20 30 CDEDLO C=CCCCCCC[C@H](O)C[NH2+]Cc1nnc[nH]1 ZINC001253249707 951826152 /nfs/dbraw/zinc/82/61/52/951826152.db2.gz NHIKWHCQYAJXGL-LBPRGKRZSA-N 1 2 252.362 1.782 20 30 CDEDLO C[C@@H]([NH2+]Cc1nc(N)nc(N(C)C)n1)c1ccc(C#N)cc1 ZINC001421766768 955533563 /nfs/dbraw/zinc/53/35/63/955533563.db2.gz NOVXYCCOHJOTGN-SNVBAGLBSA-N 1 2 297.366 1.242 20 30 CDEDLO C=C[C@](C)(O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001329166804 955730555 /nfs/dbraw/zinc/73/05/55/955730555.db2.gz NSGIQDSAMZGIAR-WFASDCNBSA-N 1 2 277.368 1.138 20 30 CDEDLO CC(C)[C@](O)(C[NH+]1CC(O)(CC#N)C1)c1ccccc1 ZINC001365292648 955843119 /nfs/dbraw/zinc/84/31/19/955843119.db2.gz GRKUTNLOPJJANJ-MRXNPFEDSA-N 1 2 274.364 1.491 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@]1(C)CCOC1 ZINC001422212439 955850454 /nfs/dbraw/zinc/85/04/54/955850454.db2.gz JOIMKNCZRUCFIR-CYBMUJFWSA-N 1 2 274.792 1.556 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@]1(C)CCOC1 ZINC001422212439 955850464 /nfs/dbraw/zinc/85/04/64/955850464.db2.gz JOIMKNCZRUCFIR-CYBMUJFWSA-N 1 2 274.792 1.556 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1csnn1 ZINC001422540648 956133437 /nfs/dbraw/zinc/13/34/37/956133437.db2.gz RWDNVSNOSMUVDB-MRVPVSSYSA-N 1 2 274.777 1.341 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1csnn1 ZINC001422540648 956133444 /nfs/dbraw/zinc/13/34/44/956133444.db2.gz RWDNVSNOSMUVDB-MRVPVSSYSA-N 1 2 274.777 1.341 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CC1(F)F ZINC001317443327 956307154 /nfs/dbraw/zinc/30/71/54/956307154.db2.gz IQJLDUPCZRKADH-MRVPVSSYSA-N 1 2 252.692 1.442 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CC1(F)F ZINC001317443327 956307167 /nfs/dbraw/zinc/30/71/67/956307167.db2.gz IQJLDUPCZRKADH-MRVPVSSYSA-N 1 2 252.692 1.442 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CC1CCOCC1 ZINC001366524693 956918227 /nfs/dbraw/zinc/91/82/27/956918227.db2.gz JWFMUEWBNROLHY-UHFFFAOYSA-N 1 2 274.792 1.604 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CC1CCOCC1 ZINC001366524693 956918238 /nfs/dbraw/zinc/91/82/38/956918238.db2.gz JWFMUEWBNROLHY-UHFFFAOYSA-N 1 2 274.792 1.604 20 30 CDEDLO C[N@H+](CCNC(=O)C1=CCOCC1)Cc1ccccc1C#N ZINC001366526717 956923005 /nfs/dbraw/zinc/92/30/05/956923005.db2.gz PFICEYUUJYKQRF-UHFFFAOYSA-N 1 2 299.374 1.453 20 30 CDEDLO C[N@@H+](CCNC(=O)C1=CCOCC1)Cc1ccccc1C#N ZINC001366526717 956923011 /nfs/dbraw/zinc/92/30/11/956923011.db2.gz PFICEYUUJYKQRF-UHFFFAOYSA-N 1 2 299.374 1.453 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2(F)CCOCC2)C1 ZINC001494558079 972256826 /nfs/dbraw/zinc/25/68/26/972256826.db2.gz LRLYUNPGTBXBGJ-UHFFFAOYSA-N 1 2 290.766 1.306 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1n[nH]c2c1CCC2 ZINC001424971545 957429768 /nfs/dbraw/zinc/42/97/68/957429768.db2.gz HULMNLGQVWQGKC-JTQLQIEISA-N 1 2 296.802 1.701 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1n[nH]c2c1CCC2 ZINC001424971545 957429773 /nfs/dbraw/zinc/42/97/73/957429773.db2.gz HULMNLGQVWQGKC-JTQLQIEISA-N 1 2 296.802 1.701 20 30 CDEDLO C=C(C)Cn1nnnc1N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC001333674272 958501744 /nfs/dbraw/zinc/50/17/44/958501744.db2.gz RRGNSKVWBIDDPN-CHWSQXEVSA-N 1 2 287.371 1.533 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001321173728 959632431 /nfs/dbraw/zinc/63/24/31/959632431.db2.gz WRHKKPKORPVFEL-XQQFMLRXSA-N 1 2 263.341 1.542 20 30 CDEDLO C#CCCCC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001336022867 960160018 /nfs/dbraw/zinc/16/00/18/960160018.db2.gz LRXZCZYQSPEJQW-UHFFFAOYSA-N 1 2 277.412 1.028 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1nccc(OC)c1OC ZINC001338880024 962042906 /nfs/dbraw/zinc/04/29/06/962042906.db2.gz GZUBTVRUSSMNNK-UHFFFAOYSA-N 1 2 264.325 1.180 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1nccc(OC)c1OC ZINC001338880024 962042933 /nfs/dbraw/zinc/04/29/33/962042933.db2.gz GZUBTVRUSSMNNK-UHFFFAOYSA-N 1 2 264.325 1.180 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)CC#C)n2CC)CC1 ZINC001339669621 962481710 /nfs/dbraw/zinc/48/17/10/962481710.db2.gz YGMFXHDTDDJNLJ-UHFFFAOYSA-N 1 2 299.422 1.354 20 30 CDEDLO C#C[C@H](C)N(C)c1nnc(Cc2[nH+]ccn2C)n1CC=C ZINC001340733738 963096483 /nfs/dbraw/zinc/09/64/83/963096483.db2.gz SLDOHFMYOHRLOL-LBPRGKRZSA-N 1 2 284.367 1.246 20 30 CDEDLO C=C(C)CNC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001340847221 963153444 /nfs/dbraw/zinc/15/34/44/963153444.db2.gz YJQJKZAUJJHLHX-UHFFFAOYSA-N 1 2 262.357 1.885 20 30 CDEDLO C=C(Cl)C[NH2+]C1(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001439608570 963821281 /nfs/dbraw/zinc/82/12/81/963821281.db2.gz SMNZYAZMEIQRIC-ZETCQYMHSA-N 1 2 288.672 1.878 20 30 CDEDLO C=C(Cl)C[NH2+][C@@H](C)CNC(=O)c1[nH]nc2c1CCC2 ZINC001441865978 964757320 /nfs/dbraw/zinc/75/73/20/964757320.db2.gz DHXIZLIEPADBEB-VIFPVBQESA-N 1 2 282.775 1.359 20 30 CDEDLO C=CCC1(O)CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001348285867 965912645 /nfs/dbraw/zinc/91/26/45/965912645.db2.gz XEADDQZXPDWAOO-UHFFFAOYSA-N 1 2 277.368 1.282 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](OC)C1CC1 ZINC001444969974 966008590 /nfs/dbraw/zinc/00/85/90/966008590.db2.gz JRWGTFBGJVMBEY-LBPRGKRZSA-N 1 2 274.792 1.554 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](OC)C1CC1 ZINC001444969974 966008598 /nfs/dbraw/zinc/00/85/98/966008598.db2.gz JRWGTFBGJVMBEY-LBPRGKRZSA-N 1 2 274.792 1.554 20 30 CDEDLO C=C(CC(C)C)C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001348920531 966228996 /nfs/dbraw/zinc/22/89/96/966228996.db2.gz UBYRHWYXWVENGD-ZDUSSCGKSA-N 1 2 262.357 1.485 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cccc(OC)n1 ZINC001448103926 966998626 /nfs/dbraw/zinc/99/86/26/966998626.db2.gz GVRQGEWOCZZAKL-NSHDSACASA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cccc(OC)n1 ZINC001448103926 966998629 /nfs/dbraw/zinc/99/86/29/966998629.db2.gz GVRQGEWOCZZAKL-NSHDSACASA-N 1 2 297.786 1.893 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001100276092 967867181 /nfs/dbraw/zinc/86/71/81/967867181.db2.gz RTTMFGOPTCIXHH-ZDUSSCGKSA-N 1 2 276.384 1.940 20 30 CDEDLO C#CC[NH2+]C1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001100349332 968086117 /nfs/dbraw/zinc/08/61/17/968086117.db2.gz ZBYYQAVKGFTLRK-HACHORDNSA-N 1 2 266.238 1.004 20 30 CDEDLO C#CC[NH2+]C1CC(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001100349332 968086124 /nfs/dbraw/zinc/08/61/24/968086124.db2.gz ZBYYQAVKGFTLRK-HACHORDNSA-N 1 2 266.238 1.004 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)Nc1cc(CC#N)ccn1 ZINC001465813088 969898711 /nfs/dbraw/zinc/89/87/11/969898711.db2.gz BAUPYBJRAXUDKU-UHFFFAOYSA-N 1 2 255.281 1.360 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cccc(=O)[nH]1 ZINC001505891236 975027274 /nfs/dbraw/zinc/02/72/74/975027274.db2.gz BUXACKCXKLHFDY-SNVBAGLBSA-N 1 2 283.759 1.590 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cccc(=O)[nH]1 ZINC001505891236 975027278 /nfs/dbraw/zinc/02/72/78/975027278.db2.gz BUXACKCXKLHFDY-SNVBAGLBSA-N 1 2 283.759 1.590 20 30 CDEDLO COCCC(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001401348408 975601189 /nfs/dbraw/zinc/60/11/89/975601189.db2.gz RTHPFKQXMWEZBM-UHFFFAOYSA-N 1 2 289.379 1.485 20 30 CDEDLO COCCC(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001401348408 975601194 /nfs/dbraw/zinc/60/11/94/975601194.db2.gz RTHPFKQXMWEZBM-UHFFFAOYSA-N 1 2 289.379 1.485 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ncoc1C ZINC001401738233 975858583 /nfs/dbraw/zinc/85/85/83/975858583.db2.gz MROKDWPOSBUMBQ-VIFPVBQESA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ncoc1C ZINC001401738233 975858595 /nfs/dbraw/zinc/85/85/95/975858595.db2.gz MROKDWPOSBUMBQ-VIFPVBQESA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCCn1cncn1 ZINC001379774661 976066047 /nfs/dbraw/zinc/06/60/47/976066047.db2.gz UMIPJIYBBPEBSS-LBPRGKRZSA-N 1 2 299.806 1.247 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCCn1cncn1 ZINC001379774661 976066060 /nfs/dbraw/zinc/06/60/60/976066060.db2.gz UMIPJIYBBPEBSS-LBPRGKRZSA-N 1 2 299.806 1.247 20 30 CDEDLO COCCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001379935003 976135775 /nfs/dbraw/zinc/13/57/75/976135775.db2.gz HSZFKBPLMVBJKL-LLVKDONJSA-N 1 2 293.392 1.347 20 30 CDEDLO COCCC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001379935003 976135779 /nfs/dbraw/zinc/13/57/79/976135779.db2.gz HSZFKBPLMVBJKL-LLVKDONJSA-N 1 2 293.392 1.347 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1coc(C(N)=O)c1 ZINC001403163392 976774875 /nfs/dbraw/zinc/77/48/75/976774875.db2.gz JBBDYIQAIAACJJ-SECBINFHSA-N 1 2 299.758 1.181 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1coc(C(N)=O)c1 ZINC001403163392 976774888 /nfs/dbraw/zinc/77/48/88/976774888.db2.gz JBBDYIQAIAACJJ-SECBINFHSA-N 1 2 299.758 1.181 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1coc(C(N)=O)c1 ZINC001403163393 976775066 /nfs/dbraw/zinc/77/50/66/976775066.db2.gz JBBDYIQAIAACJJ-VIFPVBQESA-N 1 2 299.758 1.181 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1coc(C(N)=O)c1 ZINC001403163393 976775080 /nfs/dbraw/zinc/77/50/80/976775080.db2.gz JBBDYIQAIAACJJ-VIFPVBQESA-N 1 2 299.758 1.181 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccnc(C)n1)C1CC1 ZINC001404298872 977401584 /nfs/dbraw/zinc/40/15/84/977401584.db2.gz PZTALBIMBKWJLN-UHFFFAOYSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccnc(C)n1)C1CC1 ZINC001404298872 977401587 /nfs/dbraw/zinc/40/15/87/977401587.db2.gz PZTALBIMBKWJLN-UHFFFAOYSA-N 1 2 294.786 1.732 20 30 CDEDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000515018871 398138152 /nfs/dbraw/zinc/13/81/52/398138152.db2.gz LKNKMVLGMZRREY-AWEZNQCLSA-N 1 2 272.352 1.300 20 30 CDEDLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000515018871 398138157 /nfs/dbraw/zinc/13/81/57/398138157.db2.gz LKNKMVLGMZRREY-AWEZNQCLSA-N 1 2 272.352 1.300 20 30 CDEDLO C[NH+]1CCC(C#N)(NC(=O)c2cccc3n[nH]cc32)CC1 ZINC000609460109 342553663 /nfs/dbraw/zinc/55/36/63/342553663.db2.gz UOLRNOHMTKRCFE-UHFFFAOYSA-N 1 2 283.335 1.281 20 30 CDEDLO Cc1cc(C[NH+]2CCN([C@@H]3CCOC3)CC2)ccc1C#N ZINC000618751945 349522212 /nfs/dbraw/zinc/52/22/12/349522212.db2.gz DGZLODBYDDBVMX-QGZVFWFLSA-N 1 2 285.391 1.773 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000590747470 342587142 /nfs/dbraw/zinc/58/71/42/342587142.db2.gz IYOBPAZYOIVTKK-VXGBXAGGSA-N 1 2 282.384 1.328 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000590747470 342587143 /nfs/dbraw/zinc/58/71/43/342587143.db2.gz IYOBPAZYOIVTKK-VXGBXAGGSA-N 1 2 282.384 1.328 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H]1CCO[C@@H](CC)C1)C(=O)OC ZINC000590652732 342580753 /nfs/dbraw/zinc/58/07/53/342580753.db2.gz OGJUEEBZNDPRLQ-AVGNSLFASA-N 1 2 271.357 1.278 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(OCCOC(C)C)CC1 ZINC000590763674 342593466 /nfs/dbraw/zinc/59/34/66/342593466.db2.gz PGNJTJGTJQSQQY-AWEZNQCLSA-N 1 2 285.384 1.620 20 30 CDEDLO CCC#C[C@H](C)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000590962233 342611742 /nfs/dbraw/zinc/61/17/42/342611742.db2.gz KVXDARSMFMGDJA-ZDUSSCGKSA-N 1 2 288.351 1.914 20 30 CDEDLO Cc1cc(-n2c[nH+]c(CCCO)c2)c(C#N)cc1[N+](=O)[O-] ZINC000591146520 342618534 /nfs/dbraw/zinc/61/85/34/342618534.db2.gz GXGQGQTYKZBRFM-UHFFFAOYSA-N 1 2 286.291 1.886 20 30 CDEDLO C=C[C@H]([NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)C(=O)OC ZINC000590758013 342643917 /nfs/dbraw/zinc/64/39/17/342643917.db2.gz KPEIOOJZSKYGCY-AVGNSLFASA-N 1 2 257.374 1.593 20 30 CDEDLO Cc1cc(N2CC[C@H](n3cncn3)C2)c(C#N)c[nH+]1 ZINC000591823047 342647600 /nfs/dbraw/zinc/64/76/00/342647600.db2.gz HIHFHCVSSORNTQ-LBPRGKRZSA-N 1 2 254.297 1.305 20 30 CDEDLO Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592146169 342673218 /nfs/dbraw/zinc/67/32/18/342673218.db2.gz FPLVEFLOAXILGT-MRXNPFEDSA-N 1 2 287.363 1.592 20 30 CDEDLO Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592146169 342673219 /nfs/dbraw/zinc/67/32/19/342673219.db2.gz FPLVEFLOAXILGT-MRXNPFEDSA-N 1 2 287.363 1.592 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@](O)(CC#N)C2)cc1[N+](=O)[O-] ZINC000592146584 342673358 /nfs/dbraw/zinc/67/33/58/342673358.db2.gz JMZCEMPBOBNEPV-CQSZACIVSA-N 1 2 291.307 1.454 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@](O)(CC#N)C2)cc1[N+](=O)[O-] ZINC000592146584 342673360 /nfs/dbraw/zinc/67/33/60/342673360.db2.gz JMZCEMPBOBNEPV-CQSZACIVSA-N 1 2 291.307 1.454 20 30 CDEDLO Cc1cccn2cc(C[N@@H+]3CC[C@](O)(CC#N)C3)nc12 ZINC000592146693 342673607 /nfs/dbraw/zinc/67/36/07/342673607.db2.gz JYNKIMXBTDSPGS-OAHLLOKOSA-N 1 2 270.336 1.493 20 30 CDEDLO Cc1cccn2cc(C[N@H+]3CC[C@](O)(CC#N)C3)nc12 ZINC000592146693 342673609 /nfs/dbraw/zinc/67/36/09/342673609.db2.gz JYNKIMXBTDSPGS-OAHLLOKOSA-N 1 2 270.336 1.493 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cn3ccccc3n2)C1 ZINC000592148639 342668451 /nfs/dbraw/zinc/66/84/51/342668451.db2.gz YILIPXZJXDWWAV-AWEZNQCLSA-N 1 2 256.309 1.185 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cn3ccccc3n2)C1 ZINC000592148639 342668452 /nfs/dbraw/zinc/66/84/52/342668452.db2.gz YILIPXZJXDWWAV-AWEZNQCLSA-N 1 2 256.309 1.185 20 30 CDEDLO CC(C)(C#N)C[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000592507096 342699635 /nfs/dbraw/zinc/69/96/35/342699635.db2.gz HAWQHOJPARSZRI-UHFFFAOYSA-N 1 2 254.297 1.240 20 30 CDEDLO Cc1cccn2cc(CC(=O)N3CC[C@@](O)(CC#N)C3)[nH+]c12 ZINC000592840212 342733797 /nfs/dbraw/zinc/73/37/97/342733797.db2.gz OCMJPIIZZFJCOM-INIZCTEOSA-N 1 2 298.346 1.062 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)[C@H](CC)CO1 ZINC000593056980 342760428 /nfs/dbraw/zinc/76/04/28/342760428.db2.gz CLDKMAQUPOOQFW-FMKPAKJESA-N 1 2 293.411 1.684 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)[C@H](CC)CO1 ZINC000593056980 342760429 /nfs/dbraw/zinc/76/04/29/342760429.db2.gz CLDKMAQUPOOQFW-FMKPAKJESA-N 1 2 293.411 1.684 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2c(s1)CCOC2 ZINC000593154330 342774142 /nfs/dbraw/zinc/77/41/42/342774142.db2.gz GNIXTZHWOWQZGO-AWEZNQCLSA-N 1 2 293.392 1.394 20 30 CDEDLO CC(F)(F)C[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000573490516 361895271 /nfs/dbraw/zinc/89/52/71/361895271.db2.gz NVESMTAYSBRTDW-UHFFFAOYSA-N 1 2 251.240 1.346 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNC(=O)C2(C#N)CCCC2)CCO1 ZINC000347630697 529390653 /nfs/dbraw/zinc/39/06/53/529390653.db2.gz MTVOHRYRXUEGRZ-CYBMUJFWSA-N 1 2 279.384 1.297 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)C2(C#N)CCCC2)CCO1 ZINC000347630697 529390655 /nfs/dbraw/zinc/39/06/55/529390655.db2.gz MTVOHRYRXUEGRZ-CYBMUJFWSA-N 1 2 279.384 1.297 20 30 CDEDLO C[C@@H](CC(=O)N1CCC[C@](C)(C#N)C1)n1cc[nH+]c1 ZINC000593599898 342817599 /nfs/dbraw/zinc/81/75/99/342817599.db2.gz YRKKFGQYIYZVFM-GXTWGEPZSA-N 1 2 260.341 1.986 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000341714709 361991570 /nfs/dbraw/zinc/99/15/70/361991570.db2.gz JSDDFGKZMSRTLO-CVEARBPZSA-N 1 2 299.374 1.412 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000341714709 361991581 /nfs/dbraw/zinc/99/15/81/361991581.db2.gz JSDDFGKZMSRTLO-CVEARBPZSA-N 1 2 299.374 1.412 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@H]1CCOc2ccccc21 ZINC000594009403 342862901 /nfs/dbraw/zinc/86/29/01/342862901.db2.gz JGKCGYMTABBVAP-OCCSQVGLSA-N 1 2 287.363 1.908 20 30 CDEDLO CC[C@@H](C#N)C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000594361116 342895929 /nfs/dbraw/zinc/89/59/29/342895929.db2.gz XBGJJRWYWLTZKO-NSHDSACASA-N 1 2 273.327 1.629 20 30 CDEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1[nH+]ccn1C ZINC000594274305 342884144 /nfs/dbraw/zinc/88/41/44/342884144.db2.gz XETMALBOWJBNQC-LBPRGKRZSA-N 1 2 282.347 1.787 20 30 CDEDLO CC(C)(C)n1nnc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)n1 ZINC000594509654 342915078 /nfs/dbraw/zinc/91/50/78/342915078.db2.gz JXIXWSXYXHBSOU-GHMZBOCLSA-N 1 2 262.361 1.600 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)CCc1nnn(C(C)(C)C)n1 ZINC000595302980 343023506 /nfs/dbraw/zinc/02/35/06/343023506.db2.gz YWABBYKRSHWODB-SNVBAGLBSA-N 1 2 250.350 1.062 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)CCc1nnn(C(C)(C)C)n1 ZINC000595302980 343023508 /nfs/dbraw/zinc/02/35/08/343023508.db2.gz YWABBYKRSHWODB-SNVBAGLBSA-N 1 2 250.350 1.062 20 30 CDEDLO COC[C@](C)([NH2+]CCc1ccc(C#N)cc1)C(=O)OC ZINC000595408153 343050267 /nfs/dbraw/zinc/05/02/67/343050267.db2.gz NTKWWJAIEDEFQH-HNNXBMFYSA-N 1 2 276.336 1.268 20 30 CDEDLO CN(Cc1c[nH+]c[nH]1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000595595555 343113770 /nfs/dbraw/zinc/11/37/70/343113770.db2.gz XSODKNNNVLXNKI-HNNXBMFYSA-N 1 2 295.346 1.519 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000595807024 343158966 /nfs/dbraw/zinc/15/89/66/343158966.db2.gz GYIUNWUXAWHOAH-ZIAGYGMSSA-N 1 2 290.388 1.674 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000595807024 343158967 /nfs/dbraw/zinc/15/89/67/343158967.db2.gz GYIUNWUXAWHOAH-ZIAGYGMSSA-N 1 2 290.388 1.674 20 30 CDEDLO COC(=O)c1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)nc1 ZINC000595840766 343172651 /nfs/dbraw/zinc/17/26/51/343172651.db2.gz DWEQUYCQBWIJPO-AWEZNQCLSA-N 1 2 259.309 1.604 20 30 CDEDLO COC(=O)c1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)nc1 ZINC000595840766 343172652 /nfs/dbraw/zinc/17/26/52/343172652.db2.gz DWEQUYCQBWIJPO-AWEZNQCLSA-N 1 2 259.309 1.604 20 30 CDEDLO CC[N@H+](CCC#N)C[C@H](O)COc1ccc(F)cc1 ZINC000081040539 342363480 /nfs/dbraw/zinc/36/34/80/342363480.db2.gz HLPKGOCXHQWDQO-ZDUSSCGKSA-N 1 2 266.316 1.801 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1ccc(F)cc1 ZINC000081040539 342363481 /nfs/dbraw/zinc/36/34/81/342363481.db2.gz HLPKGOCXHQWDQO-ZDUSSCGKSA-N 1 2 266.316 1.801 20 30 CDEDLO CCN(CC)c1ccc(CNc2cc(C#N)cnn2)c[nH+]1 ZINC000596078424 343227328 /nfs/dbraw/zinc/22/73/28/343227328.db2.gz VXCDSTGFRVIMPG-UHFFFAOYSA-N 1 2 282.351 1.623 20 30 CDEDLO Cn1ncc(C#N)c1NCCCCNc1cccc[nH+]1 ZINC000596103225 343227846 /nfs/dbraw/zinc/22/78/46/343227846.db2.gz AGYFDKLOKJSXLX-UHFFFAOYSA-N 1 2 270.340 1.991 20 30 CDEDLO CC[N@H+](CCC#N)C[C@@H](O)COc1ccc(C)cc1 ZINC000081513645 342371350 /nfs/dbraw/zinc/37/13/50/342371350.db2.gz QBRBJRWHJUEPOU-CQSZACIVSA-N 1 2 262.353 1.970 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@@H](O)COc1ccc(C)cc1 ZINC000081513645 342371351 /nfs/dbraw/zinc/37/13/51/342371351.db2.gz QBRBJRWHJUEPOU-CQSZACIVSA-N 1 2 262.353 1.970 20 30 CDEDLO C[N@H+](CCC#N)CCn1cc(Br)cn1 ZINC000083222613 342376704 /nfs/dbraw/zinc/37/67/04/342376704.db2.gz STBWQHNKXGRFTN-UHFFFAOYSA-N 1 2 257.135 1.491 20 30 CDEDLO C[N@@H+](CCC#N)CCn1cc(Br)cn1 ZINC000083222613 342376705 /nfs/dbraw/zinc/37/67/05/342376705.db2.gz STBWQHNKXGRFTN-UHFFFAOYSA-N 1 2 257.135 1.491 20 30 CDEDLO C=CCNC(=O)c1ccc(NCCCn2cc[nH+]c2)nc1 ZINC000091424809 342403152 /nfs/dbraw/zinc/40/31/52/342403152.db2.gz KSVHFAXYSFZXJS-UHFFFAOYSA-N 1 2 285.351 1.696 20 30 CDEDLO C[C@@H](C#N)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000596969259 343422006 /nfs/dbraw/zinc/42/20/06/343422006.db2.gz YFXBTQULIXNGQU-AAEUAGOBSA-N 1 2 268.320 1.960 20 30 CDEDLO N#Cc1ccc(C(=O)NCc2ccc[nH+]c2N2CCCC2)[nH]1 ZINC000597939746 343673252 /nfs/dbraw/zinc/67/32/52/343673252.db2.gz ALACINUIDFCBBJ-UHFFFAOYSA-N 1 2 295.346 1.812 20 30 CDEDLO CC[C@](C)(C#N)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000597993200 343683191 /nfs/dbraw/zinc/68/31/91/343683191.db2.gz DHKHTWUJLDQWSO-YRGRVCCFSA-N 1 2 267.373 1.152 20 30 CDEDLO CC[C@](C)(C#N)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000597993200 343683194 /nfs/dbraw/zinc/68/31/94/343683194.db2.gz DHKHTWUJLDQWSO-YRGRVCCFSA-N 1 2 267.373 1.152 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000619721366 349871481 /nfs/dbraw/zinc/87/14/81/349871481.db2.gz HNZIDMWXXFRBJU-CHWSQXEVSA-N 1 2 283.368 1.768 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000619721366 349871484 /nfs/dbraw/zinc/87/14/84/349871484.db2.gz HNZIDMWXXFRBJU-CHWSQXEVSA-N 1 2 283.368 1.768 20 30 CDEDLO C[C@@H](NC(=O)COc1ccc(C#N)cc1)c1[nH+]ccn1C ZINC000598459668 343805021 /nfs/dbraw/zinc/80/50/21/343805021.db2.gz KPVMNACLTYZVJC-LLVKDONJSA-N 1 2 284.319 1.548 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000598593368 343839769 /nfs/dbraw/zinc/83/97/69/343839769.db2.gz RMOGQYDQYNSXAS-JSGCOSHPSA-N 1 2 278.352 1.954 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000598593368 343839770 /nfs/dbraw/zinc/83/97/70/343839770.db2.gz RMOGQYDQYNSXAS-JSGCOSHPSA-N 1 2 278.352 1.954 20 30 CDEDLO CC[C@@H](C)N1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598620209 343845358 /nfs/dbraw/zinc/84/53/58/343845358.db2.gz JPTPDVLFYVXBAY-ZIAGYGMSSA-N 1 2 267.417 1.703 20 30 CDEDLO C=C(Cl)CN1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000127053602 187279831 /nfs/dbraw/zinc/27/98/31/187279831.db2.gz FLCQEIGJBLLSJN-JTQLQIEISA-N 1 2 259.806 1.848 20 30 CDEDLO Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1CCC#N ZINC000599444801 344050899 /nfs/dbraw/zinc/05/08/99/344050899.db2.gz MJUWFCJJSHUUGM-ZDUSSCGKSA-N 1 2 256.313 1.004 20 30 CDEDLO CCc1ccc(F)cc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000602332040 344402256 /nfs/dbraw/zinc/40/22/56/344402256.db2.gz JNYMBODVHQXSHS-HNNXBMFYSA-N 1 2 277.343 1.962 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CC2(CC#N)CC2)CCO1 ZINC000602783183 344597501 /nfs/dbraw/zinc/59/75/01/344597501.db2.gz NHNNWCMKCRDPHC-LBPRGKRZSA-N 1 2 280.368 1.723 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CC2(CC#N)CC2)CCO1 ZINC000602783183 344597502 /nfs/dbraw/zinc/59/75/02/344597502.db2.gz NHNNWCMKCRDPHC-LBPRGKRZSA-N 1 2 280.368 1.723 20 30 CDEDLO C[C@H](CC#N)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000602862160 344617154 /nfs/dbraw/zinc/61/71/54/344617154.db2.gz LNHMFUBQKXNRBB-LLVKDONJSA-N 1 2 277.349 1.224 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCCc1ccc(Cl)cc1 ZINC000602866257 344638785 /nfs/dbraw/zinc/63/87/85/344638785.db2.gz ZQBAFXMQQFCUES-LLVKDONJSA-N 1 2 279.771 1.890 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000602866085 344639085 /nfs/dbraw/zinc/63/90/85/344639085.db2.gz YDYHRZNRSSBKIU-YVECIDJPSA-N 1 2 251.374 1.771 20 30 CDEDLO Cc1[nH]c2nc[nH+]c(N3C[C@H](C)N(CC#N)[C@@H](C)C3)c2c1C ZINC000603408723 344804552 /nfs/dbraw/zinc/80/45/52/344804552.db2.gz YHICSIIXHLUIRE-QWRGUYRKSA-N 1 2 298.394 1.997 20 30 CDEDLO N#Cc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)ncn1 ZINC000617948639 344848907 /nfs/dbraw/zinc/84/89/07/344848907.db2.gz NCDFHXGCSAZNSP-GFCCVEGCSA-N 1 2 254.297 1.386 20 30 CDEDLO N#CCSCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000041776569 344853099 /nfs/dbraw/zinc/85/30/99/344853099.db2.gz NRFGIKVTLOVXDC-UHFFFAOYSA-N 1 2 295.433 1.649 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H]1CCN(c2ccccc2F)C1=O ZINC000609572514 345812854 /nfs/dbraw/zinc/81/28/54/345812854.db2.gz VGHLQVARLPZLNM-CMPLNLGQSA-N 1 2 261.300 1.823 20 30 CDEDLO C=CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@@H](C)COC ZINC000617584868 345868921 /nfs/dbraw/zinc/86/89/21/345868921.db2.gz NMOGTZDGDIEGTN-RYUDHWBXSA-N 1 2 265.357 1.638 20 30 CDEDLO C=CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@@H](C)COC ZINC000617584868 345868924 /nfs/dbraw/zinc/86/89/24/345868924.db2.gz NMOGTZDGDIEGTN-RYUDHWBXSA-N 1 2 265.357 1.638 20 30 CDEDLO C[C@H]1c2c(F)cccc2CC[N@H+]1CC(=O)NCC#N ZINC000610004437 346057099 /nfs/dbraw/zinc/05/70/99/346057099.db2.gz KRXIPEMYQDGUFV-JTQLQIEISA-N 1 2 261.300 1.385 20 30 CDEDLO C[C@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)NCC#N ZINC000610004437 346057102 /nfs/dbraw/zinc/05/71/02/346057102.db2.gz KRXIPEMYQDGUFV-JTQLQIEISA-N 1 2 261.300 1.385 20 30 CDEDLO C=CCOc1cccnc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623306200 346025890 /nfs/dbraw/zinc/02/58/90/346025890.db2.gz IMPNDBMNKIIVBM-LBPRGKRZSA-N 1 2 298.346 1.588 20 30 CDEDLO Cc1c(Cl)cnc(NC[C@H]2C[NH+]3CCN2CC3)c1C#N ZINC000273293885 192103409 /nfs/dbraw/zinc/10/34/09/192103409.db2.gz FXQRBDXTGKGWSP-NSHDSACASA-N 1 2 291.786 1.327 20 30 CDEDLO CC[N@@H+]1CCN(C(=O)c2cc(C#N)cs2)C[C@H]1C ZINC000611087517 346602357 /nfs/dbraw/zinc/60/23/57/346602357.db2.gz OIKOJBZDPVFZJE-SNVBAGLBSA-N 1 2 263.366 1.786 20 30 CDEDLO CC[N@H+]1CCN(C(=O)c2cc(C#N)cs2)C[C@H]1C ZINC000611087517 346602359 /nfs/dbraw/zinc/60/23/59/346602359.db2.gz OIKOJBZDPVFZJE-SNVBAGLBSA-N 1 2 263.366 1.786 20 30 CDEDLO N#CCCN1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000611173636 346627245 /nfs/dbraw/zinc/62/72/45/346627245.db2.gz DUENTQABZXCVLR-UHFFFAOYSA-N 1 2 254.337 1.590 20 30 CDEDLO COc1cccc(C[NH+]2CCN(CCC#N)CC2)n1 ZINC000611174954 346628735 /nfs/dbraw/zinc/62/87/35/346628735.db2.gz UFXYHBQGSOABQL-UHFFFAOYSA-N 1 2 260.341 1.121 20 30 CDEDLO CC#CC[C@@H](CO)[NH2+]Cc1csc(N(CC)C(C)=O)n1 ZINC000641768976 365835733 /nfs/dbraw/zinc/83/57/33/365835733.db2.gz MYYVNJFJBPYGSS-LBPRGKRZSA-N 1 2 295.408 1.380 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+](C)Cc1cn[nH]c1 ZINC000611236125 346704270 /nfs/dbraw/zinc/70/42/70/346704270.db2.gz INGQITBXNNGBJS-UHFFFAOYSA-N 1 2 256.309 1.922 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000611236125 346704272 /nfs/dbraw/zinc/70/42/72/346704272.db2.gz INGQITBXNNGBJS-UHFFFAOYSA-N 1 2 256.309 1.922 20 30 CDEDLO N#Cc1cc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c[nH]1 ZINC000611472014 346796059 /nfs/dbraw/zinc/79/60/59/346796059.db2.gz CJIQZYLFRDGKIP-ZDUSSCGKSA-N 1 2 269.308 1.560 20 30 CDEDLO C=CC[C@@H](CO)CNc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000450418482 362820798 /nfs/dbraw/zinc/82/07/98/362820798.db2.gz FTGPKDFZZQPDMN-GFCCVEGCSA-N 1 2 286.379 1.714 20 30 CDEDLO Cc1ccccc1OC[C@H](O)C[N@@H+](C)C[C@@H](C)C#N ZINC000066470521 347488637 /nfs/dbraw/zinc/48/86/37/347488637.db2.gz PPIXTRYEWLPYEI-GXTWGEPZSA-N 1 2 262.353 1.826 20 30 CDEDLO Cc1ccccc1OC[C@H](O)C[N@H+](C)C[C@@H](C)C#N ZINC000066470521 347488639 /nfs/dbraw/zinc/48/86/39/347488639.db2.gz PPIXTRYEWLPYEI-GXTWGEPZSA-N 1 2 262.353 1.826 20 30 CDEDLO C=C[C@H](C(=O)OC)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000619719684 348191686 /nfs/dbraw/zinc/19/16/86/348191686.db2.gz UPFWBBXKXGNKBV-JHJVBQTASA-N 1 2 263.341 1.494 20 30 CDEDLO Cn1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1C1CCC1 ZINC000576164075 348487426 /nfs/dbraw/zinc/48/74/26/348487426.db2.gz KHLHNIMEDFFUGC-INIZCTEOSA-N 1 2 288.395 1.866 20 30 CDEDLO CN(C)c1ccc(CNC(=O)N2CC[C@@](F)(C#N)C2)c[nH+]1 ZINC000615530537 348576993 /nfs/dbraw/zinc/57/69/93/348576993.db2.gz BEFKXUYYLJJHMZ-CQSZACIVSA-N 1 2 291.330 1.295 20 30 CDEDLO N#Cc1c[nH]c(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)c1 ZINC000273958943 192378957 /nfs/dbraw/zinc/37/89/57/192378957.db2.gz UFNVMDBRGQHEDH-GFCCVEGCSA-N 1 2 285.307 1.472 20 30 CDEDLO N#Cc1c[nH]c(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)c1 ZINC000273958943 192378958 /nfs/dbraw/zinc/37/89/58/192378958.db2.gz UFNVMDBRGQHEDH-GFCCVEGCSA-N 1 2 285.307 1.472 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc[nH]c3)CC2)cc1 ZINC000068231268 349056694 /nfs/dbraw/zinc/05/66/94/349056694.db2.gz RLHZGKZHHUHNNU-UHFFFAOYSA-N 1 2 294.358 1.844 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCCN(C(=O)C3CC3)CC2)n1 ZINC000602627891 350133347 /nfs/dbraw/zinc/13/33/47/350133347.db2.gz ZFWGQRYSLOINHJ-UHFFFAOYSA-N 1 2 284.363 1.398 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)n1 ZINC000602627891 350133350 /nfs/dbraw/zinc/13/33/50/350133350.db2.gz ZFWGQRYSLOINHJ-UHFFFAOYSA-N 1 2 284.363 1.398 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1cccc(C#N)n1)CCO2 ZINC000602646911 350136399 /nfs/dbraw/zinc/13/63/99/350136399.db2.gz DUAANSWSBXBZDF-WFASDCNBSA-N 1 2 273.336 1.333 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cccc(C#N)n1)CCO2 ZINC000602646911 350136402 /nfs/dbraw/zinc/13/64/02/350136402.db2.gz DUAANSWSBXBZDF-WFASDCNBSA-N 1 2 273.336 1.333 20 30 CDEDLO C[C@@H]1[C@H](C)[N@H+](Cc2cccc(C#N)c2)[C@@H](C)C(=O)N1C ZINC000602849502 350155354 /nfs/dbraw/zinc/15/53/54/350155354.db2.gz ROLKOGZWIQYGEW-AGIUHOORSA-N 1 2 271.364 1.998 20 30 CDEDLO C[C@@H]1[C@H](C)[N@@H+](Cc2cccc(C#N)c2)[C@@H](C)C(=O)N1C ZINC000602849502 350155358 /nfs/dbraw/zinc/15/53/58/350155358.db2.gz ROLKOGZWIQYGEW-AGIUHOORSA-N 1 2 271.364 1.998 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(F)c(F)c1 ZINC000068612930 351111747 /nfs/dbraw/zinc/11/17/47/351111747.db2.gz WMCYCCPZJDMWIX-MRVPVSSYSA-N 1 2 253.252 1.795 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCc2ccccc2C1 ZINC000068616812 351112303 /nfs/dbraw/zinc/11/23/03/351112303.db2.gz FNSHFLPIBMQGDC-GFCCVEGCSA-N 1 2 257.337 1.463 20 30 CDEDLO C=C1CC[NH+](CC(=O)Nc2ccnn2CCC)CC1 ZINC000639481569 363009616 /nfs/dbraw/zinc/00/96/16/363009616.db2.gz CUQWBLFBXJVWKG-UHFFFAOYSA-N 1 2 262.357 1.884 20 30 CDEDLO CC[C@](C)(C#N)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000069663324 351199129 /nfs/dbraw/zinc/19/91/29/351199129.db2.gz OAXAZYWXLLVAPX-OAHLLOKOSA-N 1 2 270.336 1.994 20 30 CDEDLO C=CC[N@@H+](CC(=O)N(C)c1nccs1)C1CC1 ZINC000271460522 191149988 /nfs/dbraw/zinc/14/99/88/191149988.db2.gz PVIRXPDPYBQMEL-UHFFFAOYSA-N 1 2 251.355 1.756 20 30 CDEDLO C=CC[N@H+](CC(=O)N(C)c1nccs1)C1CC1 ZINC000271460522 191149990 /nfs/dbraw/zinc/14/99/90/191149990.db2.gz PVIRXPDPYBQMEL-UHFFFAOYSA-N 1 2 251.355 1.756 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000569840839 363133564 /nfs/dbraw/zinc/13/35/64/363133564.db2.gz PHZGULNIVSSJPE-SMDDNHRTSA-N 1 2 263.341 1.440 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000569840839 363133567 /nfs/dbraw/zinc/13/35/67/363133567.db2.gz PHZGULNIVSSJPE-SMDDNHRTSA-N 1 2 263.341 1.440 20 30 CDEDLO COCC#CC[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000677477740 482680061 /nfs/dbraw/zinc/68/00/61/482680061.db2.gz VULJAKDDSAMZEL-UHFFFAOYSA-N 1 2 274.364 1.824 20 30 CDEDLO COCC#CC[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000677477740 482680065 /nfs/dbraw/zinc/68/00/65/482680065.db2.gz VULJAKDDSAMZEL-UHFFFAOYSA-N 1 2 274.364 1.824 20 30 CDEDLO CCC[C@@H]1C(=O)NCC[N@H+]1CCOc1ccccc1C#N ZINC000152585270 188030319 /nfs/dbraw/zinc/03/03/19/188030319.db2.gz VBYUUBFRLPJFAN-CQSZACIVSA-N 1 2 287.363 1.538 20 30 CDEDLO CCC[C@@H]1C(=O)NCC[N@@H+]1CCOc1ccccc1C#N ZINC000152585270 188030321 /nfs/dbraw/zinc/03/03/21/188030321.db2.gz VBYUUBFRLPJFAN-CQSZACIVSA-N 1 2 287.363 1.538 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCc2cccc(F)c2C1 ZINC000157891288 188345457 /nfs/dbraw/zinc/34/54/57/188345457.db2.gz WUYSBYSKBVSLIX-LLVKDONJSA-N 1 2 262.328 1.875 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCc2cccc(F)c2C1 ZINC000157891288 188345458 /nfs/dbraw/zinc/34/54/58/188345458.db2.gz WUYSBYSKBVSLIX-LLVKDONJSA-N 1 2 262.328 1.875 20 30 CDEDLO Cc1cc(N2CC[NH+](Cc3cnn(C)c3)CC2)cc(C#N)n1 ZINC000342233406 363241500 /nfs/dbraw/zinc/24/15/00/363241500.db2.gz WHUKOQYRNAEBKE-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC000642097563 366146610 /nfs/dbraw/zinc/14/66/10/366146610.db2.gz IRNVOEDWCCPZCS-ZDUSSCGKSA-N 1 2 295.427 1.258 20 30 CDEDLO Cc1ncccc1/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000493183042 366196022 /nfs/dbraw/zinc/19/60/22/366196022.db2.gz FGDOQNOFVPAMJL-MVGZEHJDSA-N 1 2 272.352 1.363 20 30 CDEDLO Cc1ncccc1/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000493183043 366196125 /nfs/dbraw/zinc/19/61/25/366196125.db2.gz FGDOQNOFVPAMJL-ZPIQOJFGSA-N 1 2 272.352 1.363 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)NCCCCn2cc[nH+]c2)C1 ZINC000583930823 355987615 /nfs/dbraw/zinc/98/76/15/355987615.db2.gz VCOHNIKOLNGFMK-QWHCGFSZSA-N 1 2 275.356 1.655 20 30 CDEDLO CN(C)C(=O)N1CC[N@H+](CC2(C#N)CCC2)C(C)(C)C1 ZINC000336272836 356117972 /nfs/dbraw/zinc/11/79/72/356117972.db2.gz DGSBCEWSHDUDQX-UHFFFAOYSA-N 1 2 278.400 1.758 20 30 CDEDLO CN(C)C(=O)N1CC[N@@H+](CC2(C#N)CCC2)C(C)(C)C1 ZINC000336272836 356117976 /nfs/dbraw/zinc/11/79/76/356117976.db2.gz DGSBCEWSHDUDQX-UHFFFAOYSA-N 1 2 278.400 1.758 20 30 CDEDLO C=C[C@@H](CO)[NH2+]Cc1csc(N(C(C)=O)C2CC2)n1 ZINC000352473006 363513553 /nfs/dbraw/zinc/51/35/53/363513553.db2.gz NKPOVMFIROFLGT-JTQLQIEISA-N 1 2 281.381 1.295 20 30 CDEDLO C[C@H](c1nccc(N)n1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000578589758 356750755 /nfs/dbraw/zinc/75/07/55/356750755.db2.gz VXQPDECUGAJIBM-LLVKDONJSA-N 1 2 267.336 1.954 20 30 CDEDLO C[C@H](c1nccc(N)n1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000578589758 356750759 /nfs/dbraw/zinc/75/07/59/356750759.db2.gz VXQPDECUGAJIBM-LLVKDONJSA-N 1 2 267.336 1.954 20 30 CDEDLO CCN1CC[N@H+](Cc2ccc(C#N)cn2)C[C@H]1c1ncc[nH]1 ZINC000578638780 356764895 /nfs/dbraw/zinc/76/48/95/356764895.db2.gz HDUJLDWGGLZXOB-HNNXBMFYSA-N 1 2 296.378 1.555 20 30 CDEDLO CCN1CC[N@@H+](Cc2ccc(C#N)cn2)C[C@H]1c1ncc[nH]1 ZINC000578638780 356764898 /nfs/dbraw/zinc/76/48/98/356764898.db2.gz HDUJLDWGGLZXOB-HNNXBMFYSA-N 1 2 296.378 1.555 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000299187006 356980897 /nfs/dbraw/zinc/98/08/97/356980897.db2.gz CIKNLABHCAQTJJ-ZDUSSCGKSA-N 1 2 272.352 1.359 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000556647793 357152871 /nfs/dbraw/zinc/15/28/71/357152871.db2.gz WGAFCNHIEZIERS-TUAOUCFPSA-N 1 2 278.356 1.607 20 30 CDEDLO CC(C)(CNc1cccnc1C#N)[NH+]1CCOCC1 ZINC000290596352 357228189 /nfs/dbraw/zinc/22/81/89/357228189.db2.gz YGZGERMGUMMCDN-UHFFFAOYSA-N 1 2 260.341 1.476 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)c1cc(C#N)ccc1[N+](=O)[O-] ZINC000341400586 357259277 /nfs/dbraw/zinc/25/92/77/357259277.db2.gz RLDXOMVJUHMYDD-UHFFFAOYSA-N 1 2 257.253 1.826 20 30 CDEDLO CC#CCO[NH+]=C(N)c1ccc(-n2nc(C)cc2C)nc1 ZINC000180624836 357278918 /nfs/dbraw/zinc/27/89/18/357278918.db2.gz ISVPCOZFYIQNCQ-UHFFFAOYSA-N 1 2 283.335 1.544 20 30 CDEDLO N#Cc1csc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)c1 ZINC000334167846 357550462 /nfs/dbraw/zinc/55/04/62/357550462.db2.gz ATTAREMXBCIEBP-NSHDSACASA-N 1 2 261.350 1.426 20 30 CDEDLO N#Cc1csc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)c1 ZINC000334167846 357550465 /nfs/dbraw/zinc/55/04/65/357550465.db2.gz ATTAREMXBCIEBP-NSHDSACASA-N 1 2 261.350 1.426 20 30 CDEDLO CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000334324914 357566741 /nfs/dbraw/zinc/56/67/41/357566741.db2.gz KLFNTCCBADAOAL-HNNXBMFYSA-N 1 2 294.358 1.976 20 30 CDEDLO CC#CCNC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000135566367 538884858 /nfs/dbraw/zinc/88/48/58/538884858.db2.gz KABOPNJPFMGQKK-UHFFFAOYSA-N 1 2 270.336 1.508 20 30 CDEDLO C#CC[N@@H+](CC1(C)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000491673533 332279446 /nfs/dbraw/zinc/27/94/46/332279446.db2.gz QGERHNWTZODKND-LBPRGKRZSA-N 1 2 255.383 1.299 20 30 CDEDLO C#CC[N@H+](CC1(C)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000491673533 332279447 /nfs/dbraw/zinc/27/94/47/332279447.db2.gz QGERHNWTZODKND-LBPRGKRZSA-N 1 2 255.383 1.299 20 30 CDEDLO COC(=O)C[C@@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000187693379 357795939 /nfs/dbraw/zinc/79/59/39/357795939.db2.gz PKVZACPIEBSXHH-IUODEOHRSA-N 1 2 288.347 1.883 20 30 CDEDLO COC(=O)C[C@@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000187693379 357795942 /nfs/dbraw/zinc/79/59/42/357795942.db2.gz PKVZACPIEBSXHH-IUODEOHRSA-N 1 2 288.347 1.883 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(C#N)s1 ZINC000566467073 357789126 /nfs/dbraw/zinc/78/91/26/357789126.db2.gz RPJKLCLVQUKGLE-SECBINFHSA-N 1 2 274.349 1.838 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(C#N)s1 ZINC000566467073 357789130 /nfs/dbraw/zinc/78/91/30/357789130.db2.gz RPJKLCLVQUKGLE-SECBINFHSA-N 1 2 274.349 1.838 20 30 CDEDLO Cc1cc(C[NH+]2CCN(C(=O)N(C)C)CC2)ccc1C#N ZINC000335205643 357866648 /nfs/dbraw/zinc/86/66/48/357866648.db2.gz RLJGFEAYNJJONE-UHFFFAOYSA-N 1 2 286.379 1.666 20 30 CDEDLO C=CCOCCCC(=O)NCc1c[nH+]ccc1OC ZINC000294614291 199107770 /nfs/dbraw/zinc/10/77/70/199107770.db2.gz OCQUWKPHZAYENT-UHFFFAOYSA-N 1 2 264.325 1.689 20 30 CDEDLO Cc1csc(=O)n1CC[N@H+](CCC#N)CC1CC1 ZINC000081514706 358129562 /nfs/dbraw/zinc/12/95/62/358129562.db2.gz FIICSYPNEWSSDY-UHFFFAOYSA-N 1 2 265.382 1.844 20 30 CDEDLO Cc1csc(=O)n1CC[N@@H+](CCC#N)CC1CC1 ZINC000081514706 358129565 /nfs/dbraw/zinc/12/95/65/358129565.db2.gz FIICSYPNEWSSDY-UHFFFAOYSA-N 1 2 265.382 1.844 20 30 CDEDLO C#CCSCC[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000294766469 199173443 /nfs/dbraw/zinc/17/34/43/199173443.db2.gz MYLQNHNHIVNFPO-ZDUSSCGKSA-N 1 2 290.367 1.989 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000636727519 358823707 /nfs/dbraw/zinc/82/37/07/358823707.db2.gz ZAATUISHDKWYHC-NSHDSACASA-N 1 2 278.356 1.229 20 30 CDEDLO N#CC1(C(=O)NCc2ccn3cc[nH+]c3c2)CCOCC1 ZINC000178349819 366484038 /nfs/dbraw/zinc/48/40/38/366484038.db2.gz VMPHZFFWRLNFMS-UHFFFAOYSA-N 1 2 284.319 1.271 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000494893440 366512889 /nfs/dbraw/zinc/51/28/89/366512889.db2.gz OPQVYTDZGSODSB-AWEZNQCLSA-N 1 2 295.427 1.847 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000494893440 366512898 /nfs/dbraw/zinc/51/28/98/366512898.db2.gz OPQVYTDZGSODSB-AWEZNQCLSA-N 1 2 295.427 1.847 20 30 CDEDLO CCC[C@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000346511222 359018961 /nfs/dbraw/zinc/01/89/61/359018961.db2.gz VKMVQKUSSZJESC-STQMWFEESA-N 1 2 279.384 1.438 20 30 CDEDLO CCC[C@H]1C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000346511222 359018965 /nfs/dbraw/zinc/01/89/65/359018965.db2.gz VKMVQKUSSZJESC-STQMWFEESA-N 1 2 279.384 1.438 20 30 CDEDLO C=CCOc1ccccc1C[NH2+]Cc1cnn(C)n1 ZINC000290073269 359084980 /nfs/dbraw/zinc/08/49/80/359084980.db2.gz IERJHPXPYJVASS-UHFFFAOYSA-N 1 2 258.325 1.670 20 30 CDEDLO COC(=O)CC[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000287866304 359134973 /nfs/dbraw/zinc/13/49/73/359134973.db2.gz MKMVCIKGZYRDFF-UHFFFAOYSA-N 1 2 294.380 1.008 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000266920116 359346506 /nfs/dbraw/zinc/34/65/06/359346506.db2.gz LVIGXBWCXPQDQS-SNVBAGLBSA-N 1 2 265.744 1.305 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000266920116 359346510 /nfs/dbraw/zinc/34/65/10/359346510.db2.gz LVIGXBWCXPQDQS-SNVBAGLBSA-N 1 2 265.744 1.305 20 30 CDEDLO C#CCCC[NH2+]c1ccc(OC)c(-n2cnnn2)c1 ZINC000270947531 359418070 /nfs/dbraw/zinc/41/80/70/359418070.db2.gz UPKCXRDHPWRAQO-UHFFFAOYSA-N 1 2 257.297 1.496 20 30 CDEDLO CC#CC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000277318302 359561702 /nfs/dbraw/zinc/56/17/02/359561702.db2.gz BYDCJGWWVRUABF-INIZCTEOSA-N 1 2 286.375 1.069 20 30 CDEDLO C#CCSCCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000277829290 359575035 /nfs/dbraw/zinc/57/50/35/359575035.db2.gz PMSQJCBROFMANY-UHFFFAOYSA-N 1 2 278.381 1.092 20 30 CDEDLO C#CCSCCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000277829290 359575038 /nfs/dbraw/zinc/57/50/38/359575038.db2.gz PMSQJCBROFMANY-UHFFFAOYSA-N 1 2 278.381 1.092 20 30 CDEDLO Cc1cccn2cc(CC(=O)N(C)[C@@H](C)C#N)[nH+]c12 ZINC000335345578 359987297 /nfs/dbraw/zinc/98/72/97/359987297.db2.gz BRVAWIBDFTVAHX-NSHDSACASA-N 1 2 256.309 1.556 20 30 CDEDLO COC[C@](C)([NH2+]CCCC1(C#N)CCOCC1)C(=O)OC ZINC000337194644 360018917 /nfs/dbraw/zinc/01/89/17/360018917.db2.gz WIEJJAJKLVRPEN-AWEZNQCLSA-N 1 2 298.383 1.255 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](C)N(CC)C[C@@H]2C)C1=O ZINC000337197076 360019357 /nfs/dbraw/zinc/01/93/57/360019357.db2.gz YBPKXHREKGWTQH-IHRRRGAJSA-N 1 2 265.401 1.188 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](C)N(CC)C[C@@H]2C)C1=O ZINC000337197076 360019362 /nfs/dbraw/zinc/01/93/62/360019362.db2.gz YBPKXHREKGWTQH-IHRRRGAJSA-N 1 2 265.401 1.188 20 30 CDEDLO C=CCNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000348457613 360081610 /nfs/dbraw/zinc/08/16/10/360081610.db2.gz RRMIRSUPQICNRB-UHFFFAOYSA-N 1 2 282.347 1.735 20 30 CDEDLO C[N@H+](CCCOc1cccc(C#N)c1)Cc1nnc[nH]1 ZINC000178334409 189108161 /nfs/dbraw/zinc/10/81/61/189108161.db2.gz IUDLQMKXMGZXDB-UHFFFAOYSA-N 1 2 271.324 1.577 20 30 CDEDLO C[N@@H+](CCCOc1cccc(C#N)c1)Cc1nnc[nH]1 ZINC000178334409 189108162 /nfs/dbraw/zinc/10/81/62/189108162.db2.gz IUDLQMKXMGZXDB-UHFFFAOYSA-N 1 2 271.324 1.577 20 30 CDEDLO C=C(C)CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156791869 360684852 /nfs/dbraw/zinc/68/48/52/360684852.db2.gz IMRRBUAHMJNENP-CYBMUJFWSA-N 1 2 261.325 1.820 20 30 CDEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000408380629 360757230 /nfs/dbraw/zinc/75/72/30/360757230.db2.gz BIQJXFLLRXTETQ-MCIONIFRSA-N 1 2 277.368 1.002 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@](C)(F)C1)C1CC1 ZINC000331774739 360769644 /nfs/dbraw/zinc/76/96/44/360769644.db2.gz BRDCTERDMSUOJH-ZIAGYGMSSA-N 1 2 267.348 1.619 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@](C)(F)C1)C1CC1 ZINC000331774739 360769647 /nfs/dbraw/zinc/76/96/47/360769647.db2.gz BRDCTERDMSUOJH-ZIAGYGMSSA-N 1 2 267.348 1.619 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cc(OC)ns2)nn1 ZINC000639276500 360771229 /nfs/dbraw/zinc/77/12/29/360771229.db2.gz YPURFVZNMNMRLU-UHFFFAOYSA-N 1 2 265.342 1.219 20 30 CDEDLO C=CCNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431596649 361019925 /nfs/dbraw/zinc/01/99/25/361019925.db2.gz PSMLFAOTUBCTQN-UHFFFAOYSA-N 1 2 255.321 1.776 20 30 CDEDLO Cc1nsc(N2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000330263213 294003895 /nfs/dbraw/zinc/00/38/95/294003895.db2.gz WFDPYCJZYSEBBB-VXGBXAGGSA-N 1 2 277.397 1.661 20 30 CDEDLO C[N@H+](Cc1cc(=O)n2ccsc2n1)CC(C)(C)C#N ZINC000433302853 361230264 /nfs/dbraw/zinc/23/02/64/361230264.db2.gz YSSDPLJCQFWMCT-UHFFFAOYSA-N 1 2 276.365 1.738 20 30 CDEDLO C[N@@H+](Cc1cc(=O)n2ccsc2n1)CC(C)(C)C#N ZINC000433302853 361230269 /nfs/dbraw/zinc/23/02/69/361230269.db2.gz YSSDPLJCQFWMCT-UHFFFAOYSA-N 1 2 276.365 1.738 20 30 CDEDLO CC(C)CC[N@H+](CCC#N)C[C@@H]1CN(C)C(=O)O1 ZINC000496264567 366735799 /nfs/dbraw/zinc/73/57/99/366735799.db2.gz MSFNYJOAQUJYAV-LBPRGKRZSA-N 1 2 253.346 1.699 20 30 CDEDLO CC(C)CC[N@@H+](CCC#N)C[C@@H]1CN(C)C(=O)O1 ZINC000496264567 366735802 /nfs/dbraw/zinc/73/58/02/366735802.db2.gz MSFNYJOAQUJYAV-LBPRGKRZSA-N 1 2 253.346 1.699 20 30 CDEDLO COc1ccccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000435532204 361409646 /nfs/dbraw/zinc/40/96/46/361409646.db2.gz DEPLEJSKOFXOMR-LBPRGKRZSA-N 1 2 264.325 1.280 20 30 CDEDLO COc1ccccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000435532204 361409650 /nfs/dbraw/zinc/40/96/50/361409650.db2.gz DEPLEJSKOFXOMR-LBPRGKRZSA-N 1 2 264.325 1.280 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CC(F)C1)C1CCOCC1 ZINC000329311630 361475525 /nfs/dbraw/zinc/47/55/25/361475525.db2.gz GFFXWUOVSDEBLR-LBPRGKRZSA-N 1 2 296.346 1.456 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000436747582 361569486 /nfs/dbraw/zinc/56/94/86/361569486.db2.gz NVACKKDBNGWHQA-UHFFFAOYSA-N 1 2 290.363 1.353 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)NCc1ccc(C#N)cc1 ZINC000137132079 363924029 /nfs/dbraw/zinc/92/40/29/363924029.db2.gz KFMOYMLUDJEZPN-UHFFFAOYSA-N 1 2 297.362 1.986 20 30 CDEDLO C=CCCC1(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000526991101 364044586 /nfs/dbraw/zinc/04/45/86/364044586.db2.gz OTHHGDMRHCFIGH-ZDUSSCGKSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CCCC1(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000526991101 364044590 /nfs/dbraw/zinc/04/45/90/364044590.db2.gz OTHHGDMRHCFIGH-ZDUSSCGKSA-N 1 2 266.385 1.570 20 30 CDEDLO N#C[C@@H]1[N@H+](CC[C@@H]2CCNC2=O)CCC[C@]12CCCCO2 ZINC000580090677 364606759 /nfs/dbraw/zinc/60/67/59/364606759.db2.gz GBPNEJTYKGKHIP-OFQRWUPVSA-N 1 2 291.395 1.440 20 30 CDEDLO N#C[C@@H]1[N@@H+](CC[C@@H]2CCNC2=O)CCC[C@]12CCCCO2 ZINC000580090677 364606766 /nfs/dbraw/zinc/60/67/66/364606766.db2.gz GBPNEJTYKGKHIP-OFQRWUPVSA-N 1 2 291.395 1.440 20 30 CDEDLO C[C@@H](NC(=O)NCc1[nH+]ccn1C)c1ccc(C#N)cc1 ZINC000264224563 364654635 /nfs/dbraw/zinc/65/46/35/364654635.db2.gz WOMOXBSPDITDOW-LLVKDONJSA-N 1 2 283.335 1.852 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2cccnc2)nn1 ZINC000641022490 364846924 /nfs/dbraw/zinc/84/69/24/364846924.db2.gz WIUDCMHSVKVSRU-LBPRGKRZSA-N 1 2 255.325 1.395 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000491372319 365176458 /nfs/dbraw/zinc/17/64/58/365176458.db2.gz ITVYJCAMDLMYEQ-GFCCVEGCSA-N 1 2 281.377 1.422 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000491372319 365176462 /nfs/dbraw/zinc/17/64/62/365176462.db2.gz ITVYJCAMDLMYEQ-GFCCVEGCSA-N 1 2 281.377 1.422 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc3c[nH]nc3c2)nn1 ZINC000641164272 365140579 /nfs/dbraw/zinc/14/05/79/365140579.db2.gz NBLQDWGZAMWRHV-UHFFFAOYSA-N 1 2 280.335 1.316 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CC2CC(OCC)C2)nn1 ZINC000641166903 365147300 /nfs/dbraw/zinc/14/73/00/365147300.db2.gz SZOGUJVVFVWXPJ-UHFFFAOYSA-N 1 2 262.357 1.206 20 30 CDEDLO Cc1nnc(NCC[N@@H+]2CCOC(C)(C)C2)c(C#N)c1C ZINC000170640451 366993140 /nfs/dbraw/zinc/99/31/40/366993140.db2.gz KCWPTQKGWVIGEL-UHFFFAOYSA-N 1 2 289.383 1.488 20 30 CDEDLO Cc1nnc(NCC[N@H+]2CCOC(C)(C)C2)c(C#N)c1C ZINC000170640451 366993146 /nfs/dbraw/zinc/99/31/46/366993146.db2.gz KCWPTQKGWVIGEL-UHFFFAOYSA-N 1 2 289.383 1.488 20 30 CDEDLO C[C@@H]1CCC[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000566976267 370852151 /nfs/dbraw/zinc/85/21/51/370852151.db2.gz KQMSNGIUWZIILZ-YRGRVCCFSA-N 1 2 251.374 1.773 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000357789760 367210520 /nfs/dbraw/zinc/21/05/20/367210520.db2.gz FLBAHDOSCKVLAO-DZGCQCFKSA-N 1 2 287.363 1.336 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066539128 368355016 /nfs/dbraw/zinc/35/50/16/368355016.db2.gz PDLJUPUTTWLGPI-HNNXBMFYSA-N 1 2 277.389 1.617 20 30 CDEDLO C#CC[N@H+](Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066539128 368355018 /nfs/dbraw/zinc/35/50/18/368355018.db2.gz PDLJUPUTTWLGPI-HNNXBMFYSA-N 1 2 277.389 1.617 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1nnc(C)o1 ZINC000542615446 368795979 /nfs/dbraw/zinc/79/59/79/368795979.db2.gz FJDNRYGQLZTFFH-QWRGUYRKSA-N 1 2 280.372 1.842 20 30 CDEDLO N#CCC1CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000543821888 368982113 /nfs/dbraw/zinc/98/21/13/368982113.db2.gz ULDWHUALCUGBHQ-UHFFFAOYSA-N 1 2 275.356 1.608 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000276220449 193246564 /nfs/dbraw/zinc/24/65/64/193246564.db2.gz MALQMRJKGRMUQV-OAHLLOKOSA-N 1 2 279.384 1.960 20 30 CDEDLO C=CCCS(=O)(=O)N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000369173542 369702834 /nfs/dbraw/zinc/70/28/34/369702834.db2.gz IMKGAYFJYXVLAN-GFCCVEGCSA-N 1 2 299.396 1.061 20 30 CDEDLO COCCS(=O)(=O)c1ccc(C[NH2+]CCC#N)cc1 ZINC000582296950 370182360 /nfs/dbraw/zinc/18/23/60/370182360.db2.gz FQDNIBWYCNWHGN-UHFFFAOYSA-N 1 2 282.365 1.110 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000565033871 370332685 /nfs/dbraw/zinc/33/26/85/370332685.db2.gz GYLKILNSMBVWPG-GUTXKFCHSA-N 1 2 289.379 1.543 20 30 CDEDLO C[C@H](C#N)CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000568800035 371231272 /nfs/dbraw/zinc/23/12/72/371231272.db2.gz IMBIRWWTLIFEFV-MNOVXSKESA-N 1 2 261.329 1.079 20 30 CDEDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000331898677 204275941 /nfs/dbraw/zinc/27/59/41/204275941.db2.gz YMKBKJQVHXQEAI-CABCVRRESA-N 1 2 297.362 1.947 20 30 CDEDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000331898677 204275945 /nfs/dbraw/zinc/27/59/45/204275945.db2.gz YMKBKJQVHXQEAI-CABCVRRESA-N 1 2 297.362 1.947 20 30 CDEDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000347454452 371391759 /nfs/dbraw/zinc/39/17/59/371391759.db2.gz RQSQHOQUHBCRRU-HNNXBMFYSA-N 1 2 288.347 1.631 20 30 CDEDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000347454452 371391764 /nfs/dbraw/zinc/39/17/64/371391764.db2.gz RQSQHOQUHBCRRU-HNNXBMFYSA-N 1 2 288.347 1.631 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351920503 284294994 /nfs/dbraw/zinc/29/49/94/284294994.db2.gz CBZHVKKKACVGLN-SWHYSGLUSA-N 1 2 274.320 1.085 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351920503 284294998 /nfs/dbraw/zinc/29/49/98/284294998.db2.gz CBZHVKKKACVGLN-SWHYSGLUSA-N 1 2 274.320 1.085 20 30 CDEDLO CC1(C)C[N@H+](CC(=O)NC2(C#N)CCC2)[C@@H]1[C@H]1CCCO1 ZINC000577837114 372136342 /nfs/dbraw/zinc/13/63/42/372136342.db2.gz YFJCNSPGTUQZNM-TZMCWYRMSA-N 1 2 291.395 1.438 20 30 CDEDLO CC1(C)C[N@@H+](CC(=O)NC2(C#N)CCC2)[C@@H]1[C@H]1CCCO1 ZINC000577837114 372136348 /nfs/dbraw/zinc/13/63/48/372136348.db2.gz YFJCNSPGTUQZNM-TZMCWYRMSA-N 1 2 291.395 1.438 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000180488304 372379772 /nfs/dbraw/zinc/37/97/72/372379772.db2.gz VZTJOHQHAPBHRE-UONOGXRCSA-N 1 2 283.416 1.751 20 30 CDEDLO CC(C)(CCC#N)CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000578911268 372547521 /nfs/dbraw/zinc/54/75/21/372547521.db2.gz YTYSCPWOBJGRLC-UHFFFAOYSA-N 1 2 298.350 1.722 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@H](COC)c1ccc(C)o1 ZINC000184656472 372650761 /nfs/dbraw/zinc/65/07/61/372650761.db2.gz VASRDABIKUKIKP-LLVKDONJSA-N 1 2 252.314 1.167 20 30 CDEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1nccs1 ZINC000191089845 373441196 /nfs/dbraw/zinc/44/11/96/373441196.db2.gz ZXBCFOFNFDJELR-JTQLQIEISA-N 1 2 269.370 1.605 20 30 CDEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1nccs1 ZINC000191089845 373441202 /nfs/dbraw/zinc/44/12/02/373441202.db2.gz ZXBCFOFNFDJELR-JTQLQIEISA-N 1 2 269.370 1.605 20 30 CDEDLO CCC[C@@H](NCc1c[nH+]c2ccc(C#N)cn12)C(=O)OC ZINC000354929117 373816002 /nfs/dbraw/zinc/81/60/02/373816002.db2.gz KWOJATMDRAUXJE-CYBMUJFWSA-N 1 2 286.335 1.637 20 30 CDEDLO CC(C)[C@H]1C(=O)NCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000104063256 374174470 /nfs/dbraw/zinc/17/44/70/374174470.db2.gz ZTNICTKCFLNUGR-HNNXBMFYSA-N 1 2 287.363 1.393 20 30 CDEDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000104063256 374174476 /nfs/dbraw/zinc/17/44/76/374174476.db2.gz ZTNICTKCFLNUGR-HNNXBMFYSA-N 1 2 287.363 1.393 20 30 CDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cccc(C#N)c1 ZINC000308705169 374195162 /nfs/dbraw/zinc/19/51/62/374195162.db2.gz LEFZFJMRBCBPSM-UHFFFAOYSA-N 1 2 287.363 1.399 20 30 CDEDLO CC(C)[C@H](CNc1ncc(C#N)cc1F)[NH+]1CCOCC1 ZINC000413034293 374203713 /nfs/dbraw/zinc/20/37/13/374203713.db2.gz ASSCSSHSWOLCRH-AWEZNQCLSA-N 1 2 292.358 1.861 20 30 CDEDLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@@H]1O ZINC000351812902 374279481 /nfs/dbraw/zinc/27/94/81/374279481.db2.gz FJNLMUGHDUYXSX-JLLWLGSASA-N 1 2 291.376 1.038 20 30 CDEDLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@@H]1O ZINC000351812902 374279492 /nfs/dbraw/zinc/27/94/92/374279492.db2.gz FJNLMUGHDUYXSX-JLLWLGSASA-N 1 2 291.376 1.038 20 30 CDEDLO COc1cc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)ccc1C#N ZINC000369712261 374362454 /nfs/dbraw/zinc/36/24/54/374362454.db2.gz KXRUOPGMWUQALE-CYBMUJFWSA-N 1 2 287.319 1.203 20 30 CDEDLO COc1cc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)ccc1C#N ZINC000369712261 374362456 /nfs/dbraw/zinc/36/24/56/374362456.db2.gz KXRUOPGMWUQALE-CYBMUJFWSA-N 1 2 287.319 1.203 20 30 CDEDLO C=CCCN(C)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000342595865 374366216 /nfs/dbraw/zinc/36/62/16/374366216.db2.gz GVQPRSOJRGDZCZ-UHFFFAOYSA-N 1 2 263.297 1.063 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nnc2n1CCOC2 ZINC000425533802 374443598 /nfs/dbraw/zinc/44/35/98/374443598.db2.gz LFIAFAQQZBOYRR-GFCCVEGCSA-N 1 2 297.362 1.873 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nnc2n1CCOC2 ZINC000425533802 374443600 /nfs/dbraw/zinc/44/36/00/374443600.db2.gz LFIAFAQQZBOYRR-GFCCVEGCSA-N 1 2 297.362 1.873 20 30 CDEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1CCC1 ZINC000081515558 374511625 /nfs/dbraw/zinc/51/16/25/374511625.db2.gz AMHJFRXCFBELSR-UHFFFAOYSA-N 1 2 278.377 1.816 20 30 CDEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1CCC1 ZINC000081515558 374511634 /nfs/dbraw/zinc/51/16/34/374511634.db2.gz AMHJFRXCFBELSR-UHFFFAOYSA-N 1 2 278.377 1.816 20 30 CDEDLO CCC[N@H+](CC(N)=O)Cc1ccc(Cl)cc1C#N ZINC000429171413 374570889 /nfs/dbraw/zinc/57/08/89/374570889.db2.gz HAVMHJYFBIMELU-UHFFFAOYSA-N 1 2 265.744 1.909 20 30 CDEDLO CCC[N@@H+](CC(N)=O)Cc1ccc(Cl)cc1C#N ZINC000429171413 374570899 /nfs/dbraw/zinc/57/08/99/374570899.db2.gz HAVMHJYFBIMELU-UHFFFAOYSA-N 1 2 265.744 1.909 20 30 CDEDLO N#Cc1nc(NCC2([NH+]3CCOCC3)CC2)ccc1Cl ZINC000277540673 374794026 /nfs/dbraw/zinc/79/40/26/374794026.db2.gz WUJGZEKQPGHHDW-UHFFFAOYSA-N 1 2 292.770 1.883 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000279721738 374952362 /nfs/dbraw/zinc/95/23/62/374952362.db2.gz IXIVFFWJPMDTIQ-KBPBESRZSA-N 1 2 288.347 1.475 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000279721738 374952366 /nfs/dbraw/zinc/95/23/66/374952366.db2.gz IXIVFFWJPMDTIQ-KBPBESRZSA-N 1 2 288.347 1.475 20 30 CDEDLO CCOC(=O)[C@@H](F)C1C[NH+](Cc2ccc(C#N)o2)C1 ZINC000293861845 374982682 /nfs/dbraw/zinc/98/26/82/374982682.db2.gz IINNAXYUHNQKAT-LBPRGKRZSA-N 1 2 266.272 1.484 20 30 CDEDLO N#Cc1ccc(F)c(C[NH+]2CCN(c3nc[nH]n3)CC2)c1 ZINC000602869802 542004793 /nfs/dbraw/zinc/00/47/93/542004793.db2.gz IJHQHRJAZFWAGM-UHFFFAOYSA-N 1 2 286.314 1.138 20 30 CDEDLO C[C@H](NC(=O)[C@H]1CCCO1)[C@H](C)[NH+]1CCOCC1 ZINC000328764630 375950378 /nfs/dbraw/zinc/95/03/78/375950378.db2.gz GJYPODQITYDLAR-SDDRHHMPSA-N 1 2 256.346 1.231 20 30 CDEDLO C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1cn[nH]c1 ZINC000328864268 375990466 /nfs/dbraw/zinc/99/04/66/375990466.db2.gz MWBPIWRDCVKBMK-VHSXEESVSA-N 1 2 259.313 1.886 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420933293 376532230 /nfs/dbraw/zinc/53/22/30/376532230.db2.gz HUKCDSZXNMCVSR-KBPBESRZSA-N 1 2 296.411 1.047 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420933293 376532233 /nfs/dbraw/zinc/53/22/33/376532233.db2.gz HUKCDSZXNMCVSR-KBPBESRZSA-N 1 2 296.411 1.047 20 30 CDEDLO N#CCCn1ccc(NC(=O)c2ccc3[nH+]ccn3c2)n1 ZINC000172089798 377254259 /nfs/dbraw/zinc/25/42/59/377254259.db2.gz WKAJLDDPONFWTN-UHFFFAOYSA-N 1 2 280.291 1.697 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)NC1CCCCC1 ZINC000251142315 377562302 /nfs/dbraw/zinc/56/23/02/377562302.db2.gz WNSRRCQAQPQBPN-NWDGAFQWSA-N 1 2 251.374 1.915 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)NC1CCCCC1 ZINC000251142315 377562307 /nfs/dbraw/zinc/56/23/07/377562307.db2.gz WNSRRCQAQPQBPN-NWDGAFQWSA-N 1 2 251.374 1.915 20 30 CDEDLO COC[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000172876856 377787220 /nfs/dbraw/zinc/78/72/20/377787220.db2.gz NJXQVQQXSUCQMV-OAHLLOKOSA-N 1 2 276.336 1.284 20 30 CDEDLO COC[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000172876856 377787226 /nfs/dbraw/zinc/78/72/26/377787226.db2.gz NJXQVQQXSUCQMV-OAHLLOKOSA-N 1 2 276.336 1.284 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2CC=C)CC1 ZINC000282301200 378044212 /nfs/dbraw/zinc/04/42/12/378044212.db2.gz OSXZILKNFJJJFX-AWEZNQCLSA-N 1 2 287.411 1.733 20 30 CDEDLO CC#CC[C@@H](CO)Nc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000645406909 378167056 /nfs/dbraw/zinc/16/70/56/378167056.db2.gz FFAUSPKTANHDLZ-LBPRGKRZSA-N 1 2 284.363 1.304 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000290864661 378414327 /nfs/dbraw/zinc/41/43/27/378414327.db2.gz ZUKIIPIJDNJGKI-DGCLKSJQSA-N 1 2 251.330 1.550 20 30 CDEDLO C=C[C@H](CO)Nc1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000292677212 378508360 /nfs/dbraw/zinc/50/83/60/378508360.db2.gz AYWFGVGHNCCTKU-VXGBXAGGSA-N 1 2 262.357 1.672 20 30 CDEDLO C=C[C@H](CO)Nc1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000292677212 378508368 /nfs/dbraw/zinc/50/83/68/378508368.db2.gz AYWFGVGHNCCTKU-VXGBXAGGSA-N 1 2 262.357 1.672 20 30 CDEDLO C=CCOCCCC(=O)NCc1[nH+]ccn1CC ZINC000295553433 378684459 /nfs/dbraw/zinc/68/44/59/378684459.db2.gz DUXSUHQUONOFRX-UHFFFAOYSA-N 1 2 251.330 1.502 20 30 CDEDLO C#CCO[C@@H](C)C(=O)OCc1c[nH+]ccc1OC(C)C ZINC000296764672 378748361 /nfs/dbraw/zinc/74/83/61/378748361.db2.gz HYODSSNDXVMJIJ-LBPRGKRZSA-N 1 2 277.320 1.950 20 30 CDEDLO N#Cc1nc(NCCn2cc[nH+]c2)ccc1C(F)(F)F ZINC000443409340 250027792 /nfs/dbraw/zinc/02/77/92/250027792.db2.gz NIGZGQSWMSJNCD-UHFFFAOYSA-N 1 2 281.241 1.703 20 30 CDEDLO Cn1c(C#N)ccc1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000450109390 251137473 /nfs/dbraw/zinc/13/74/73/251137473.db2.gz BIOIJPAWGAERNN-AWEZNQCLSA-N 1 2 296.330 1.585 20 30 CDEDLO CN(CCCn1cc[nH+]c1)c1nc2c(cc1C#N)COCC2 ZINC000450393672 251260783 /nfs/dbraw/zinc/26/07/83/251260783.db2.gz PAIAQWIOGZWKRX-UHFFFAOYSA-N 1 2 297.362 1.749 20 30 CDEDLO N#Cc1ccc(/C=C\C(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000491866365 253107663 /nfs/dbraw/zinc/10/76/63/253107663.db2.gz IFRDOZVENMOFTI-WAYWQWQTSA-N 1 2 278.315 1.851 20 30 CDEDLO C[C@@H](C#N)C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000347074401 533120418 /nfs/dbraw/zinc/12/04/18/533120418.db2.gz RELXFCCYLUQBEV-JTQLQIEISA-N 1 2 299.334 1.498 20 30 CDEDLO C=CCN1CC[C@@H](N(C)Cc2[nH+]ccn2C(C)C)C1=O ZINC000281287591 195182171 /nfs/dbraw/zinc/18/21/71/195182171.db2.gz JBMHYMWYGDSKCG-CYBMUJFWSA-N 1 2 276.384 1.683 20 30 CDEDLO C=CCN1CC[C@H]([NH2+][C@H](COC)c2ccc(C)o2)C1=O ZINC000281447014 195244031 /nfs/dbraw/zinc/24/40/31/195244031.db2.gz UKLZDVOVYDHPAW-QWHCGFSZSA-N 1 2 278.352 1.652 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@]12CCOC2=O ZINC000186746461 390145489 /nfs/dbraw/zinc/14/54/89/390145489.db2.gz FJKDJRWBFMAPCE-HNNXBMFYSA-N 1 2 280.368 1.193 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@]12CCOC2=O ZINC000186746461 390145491 /nfs/dbraw/zinc/14/54/91/390145491.db2.gz FJKDJRWBFMAPCE-HNNXBMFYSA-N 1 2 280.368 1.193 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)/C=C/c1cccc(C#N)c1 ZINC000493849100 390589195 /nfs/dbraw/zinc/58/91/95/390589195.db2.gz IEVWWAUXIVTQQQ-AATRIKPKSA-N 1 2 266.304 1.621 20 30 CDEDLO CC(C)[C@H](NC(=O)c1ccc(C#N)n1C)c1[nH]cc[nH+]1 ZINC000451102466 390597251 /nfs/dbraw/zinc/59/72/51/390597251.db2.gz JOXBFLWIKNIQRN-LBPRGKRZSA-N 1 2 271.324 1.747 20 30 CDEDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1CCCC#N ZINC000368117990 390812665 /nfs/dbraw/zinc/81/26/65/390812665.db2.gz HHIKEDUFFJMPOG-CQSZACIVSA-N 1 2 257.337 1.772 20 30 CDEDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1CCCC#N ZINC000368117990 390812666 /nfs/dbraw/zinc/81/26/66/390812666.db2.gz HHIKEDUFFJMPOG-CQSZACIVSA-N 1 2 257.337 1.772 20 30 CDEDLO NC(CCO)=[NH+]OCc1ccc(F)cc1Br ZINC000136069017 390940986 /nfs/dbraw/zinc/94/09/86/390940986.db2.gz OHOZAOGTJFPLIN-UHFFFAOYSA-N 1 2 291.120 1.759 20 30 CDEDLO N#CCN1CC[NH+](Cc2cccc3c2OCCCO3)CC1 ZINC000092936086 390897854 /nfs/dbraw/zinc/89/78/54/390897854.db2.gz GEXXHZHLVCNDQT-UHFFFAOYSA-N 1 2 287.363 1.489 20 30 CDEDLO CN(CCC#N)c1ccc(C[N@@H+]2CCN(C)C(=O)C2)cc1 ZINC000127381105 390922884 /nfs/dbraw/zinc/92/28/84/390922884.db2.gz GTOZHXGARZDTJA-UHFFFAOYSA-N 1 2 286.379 1.310 20 30 CDEDLO CN(CCC#N)c1ccc(C[N@H+]2CCN(C)C(=O)C2)cc1 ZINC000127381105 390922885 /nfs/dbraw/zinc/92/28/85/390922885.db2.gz GTOZHXGARZDTJA-UHFFFAOYSA-N 1 2 286.379 1.310 20 30 CDEDLO Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)s1 ZINC000329565553 391016656 /nfs/dbraw/zinc/01/66/56/391016656.db2.gz KLWKRYJNHYVMBO-LLVKDONJSA-N 1 2 280.397 1.692 20 30 CDEDLO Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)s1 ZINC000329565553 391016661 /nfs/dbraw/zinc/01/66/61/391016661.db2.gz KLWKRYJNHYVMBO-LLVKDONJSA-N 1 2 280.397 1.692 20 30 CDEDLO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)C2CC(O)C2)C1 ZINC000329508335 391001135 /nfs/dbraw/zinc/00/11/35/391001135.db2.gz JHFWYBIMGNTHGH-PNESKVBLSA-N 1 2 269.389 1.087 20 30 CDEDLO CCC[N@H+]1CC[C@H](CNC(=O)N(C)C2CC(O)C2)C1 ZINC000329508335 391001142 /nfs/dbraw/zinc/00/11/42/391001142.db2.gz JHFWYBIMGNTHGH-PNESKVBLSA-N 1 2 269.389 1.087 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000351792393 391095299 /nfs/dbraw/zinc/09/52/99/391095299.db2.gz PKPDAUPZOWUBKC-HNNXBMFYSA-N 1 2 294.420 1.719 20 30 CDEDLO [O-]C(=[NH+]C[C@@H]1Cc2ccccc2O1)N1CCn2c[nH+]cc2C1 ZINC000329626832 391044368 /nfs/dbraw/zinc/04/43/68/391044368.db2.gz UCHYYZIIASBDMJ-AWEZNQCLSA-N 1 2 298.346 1.616 20 30 CDEDLO C[C@H]([NH+]=C([O-])N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCCCO1 ZINC000329630785 391054520 /nfs/dbraw/zinc/05/45/20/391054520.db2.gz VOXANEHTMSMHIE-WDMOLILDSA-N 1 2 292.383 1.728 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000330628966 391056553 /nfs/dbraw/zinc/05/65/53/391056553.db2.gz ZZTCEYXCQATOMB-LLVKDONJSA-N 1 2 267.373 1.713 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000330628966 391056557 /nfs/dbraw/zinc/05/65/57/391056557.db2.gz ZZTCEYXCQATOMB-LLVKDONJSA-N 1 2 267.373 1.713 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@]1(C)C(=O)OC ZINC000186400721 391068312 /nfs/dbraw/zinc/06/83/12/391068312.db2.gz KZPBHHYBKYTUJV-HNNXBMFYSA-N 1 2 282.384 1.439 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@]1(C)C(=O)OC ZINC000186400721 391068315 /nfs/dbraw/zinc/06/83/15/391068315.db2.gz KZPBHHYBKYTUJV-HNNXBMFYSA-N 1 2 282.384 1.439 20 30 CDEDLO CCCN(CCC)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352492220 391156239 /nfs/dbraw/zinc/15/62/39/391156239.db2.gz WYGZGPGEJCDMBE-UHFFFAOYSA-N 1 2 269.364 1.963 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)COc1ccccc1F ZINC000177501952 391170539 /nfs/dbraw/zinc/17/05/39/391170539.db2.gz WAYCDFOMSLNBMU-RYUDHWBXSA-N 1 2 266.316 1.799 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)COc1ccccc1F ZINC000177501952 391170544 /nfs/dbraw/zinc/17/05/44/391170544.db2.gz WAYCDFOMSLNBMU-RYUDHWBXSA-N 1 2 266.316 1.799 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000345384931 391168614 /nfs/dbraw/zinc/16/86/14/391168614.db2.gz APPIUMFULCJFRK-AWEZNQCLSA-N 1 2 298.427 1.537 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000345384931 391168618 /nfs/dbraw/zinc/16/86/18/391168618.db2.gz APPIUMFULCJFRK-AWEZNQCLSA-N 1 2 298.427 1.537 20 30 CDEDLO C=CC[N@H+](CC(=O)N1CCNC1=O)Cc1cccc(C#N)c1 ZINC000063300769 391201679 /nfs/dbraw/zinc/20/16/79/391201679.db2.gz OIXIUBRQSBRESV-UHFFFAOYSA-N 1 2 298.346 1.098 20 30 CDEDLO C=CC[N@@H+](CC(=O)N1CCNC1=O)Cc1cccc(C#N)c1 ZINC000063300769 391201683 /nfs/dbraw/zinc/20/16/83/391201683.db2.gz OIXIUBRQSBRESV-UHFFFAOYSA-N 1 2 298.346 1.098 20 30 CDEDLO CC#CCNC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339350787 391287428 /nfs/dbraw/zinc/28/74/28/391287428.db2.gz YGJPZOVWLFAQAF-STQMWFEESA-N 1 2 252.358 1.015 20 30 CDEDLO CC#CCNC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000339350787 391287431 /nfs/dbraw/zinc/28/74/31/391287431.db2.gz YGJPZOVWLFAQAF-STQMWFEESA-N 1 2 252.358 1.015 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCCC[C@H]2C(N)=O)c1F ZINC000223518937 391299682 /nfs/dbraw/zinc/29/96/82/391299682.db2.gz VTGQJDZZBPRKPO-LBPRGKRZSA-N 1 2 261.300 1.537 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2C(N)=O)c1F ZINC000223518937 391299689 /nfs/dbraw/zinc/29/96/89/391299689.db2.gz VTGQJDZZBPRKPO-LBPRGKRZSA-N 1 2 261.300 1.537 20 30 CDEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(N)=O ZINC000352903854 391310544 /nfs/dbraw/zinc/31/05/44/391310544.db2.gz SHVDSDIJUQDLFH-GFCCVEGCSA-N 1 2 264.373 1.716 20 30 CDEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(N)=O ZINC000352903854 391310546 /nfs/dbraw/zinc/31/05/46/391310546.db2.gz SHVDSDIJUQDLFH-GFCCVEGCSA-N 1 2 264.373 1.716 20 30 CDEDLO C[C@@H](NC(=O)C#Cc1ccccc1)[C@@H](C)[NH+]1CCOCC1 ZINC000176234156 391342933 /nfs/dbraw/zinc/34/29/33/391342933.db2.gz DSPSAEYSSQKPHO-HUUCEWRRSA-N 1 2 286.375 1.264 20 30 CDEDLO C=CCNC(=O)Cc1noc(Cc2ccc[nH+]c2C)n1 ZINC000346967816 391379962 /nfs/dbraw/zinc/37/99/62/391379962.db2.gz ODVXRUWUUALZMN-UHFFFAOYSA-N 1 2 272.308 1.209 20 30 CDEDLO Cc1ccc2[nH+]c(CNC(=O)[C@H]3COCCN3C)cn2c1 ZINC000328961174 391399432 /nfs/dbraw/zinc/39/94/32/391399432.db2.gz QNOPDAZKAIYLGD-CYBMUJFWSA-N 1 2 288.351 1.430 20 30 CDEDLO C=CC[NH+](CC=C)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000411165972 391401349 /nfs/dbraw/zinc/40/13/49/391401349.db2.gz RCECQERAVBQJTJ-ZDUSSCGKSA-N 1 2 260.341 1.199 20 30 CDEDLO Cc1[nH]c(C(=O)N[C@H](C)C(=O)OC(C)(C)C)c[nH+]1 ZINC000330466499 391427068 /nfs/dbraw/zinc/42/70/68/391427068.db2.gz XGKXQHKNOQQZLX-SSDOTTSWSA-N 1 2 253.302 1.753 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000330614803 391459216 /nfs/dbraw/zinc/45/92/16/391459216.db2.gz SPPRCNNXZWWZLA-GRYCIOLGSA-N 1 2 280.372 1.240 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000330614803 391459219 /nfs/dbraw/zinc/45/92/19/391459219.db2.gz SPPRCNNXZWWZLA-GRYCIOLGSA-N 1 2 280.372 1.240 20 30 CDEDLO Cc1ccc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cn1 ZINC000330621730 391460721 /nfs/dbraw/zinc/46/07/21/391460721.db2.gz MVIWJHHDEGUUDI-CHWSQXEVSA-N 1 2 277.368 1.804 20 30 CDEDLO CCc1noc(C)c1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000330624043 391461719 /nfs/dbraw/zinc/46/17/19/391461719.db2.gz QMKQWVMHUONYGX-GHMZBOCLSA-N 1 2 295.383 1.959 20 30 CDEDLO Cc1ccc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cn1 ZINC000330627000 391462115 /nfs/dbraw/zinc/46/21/15/391462115.db2.gz WLVIQCYHGHAQBT-LBPRGKRZSA-N 1 2 263.341 1.415 20 30 CDEDLO Cc1ccc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cn1 ZINC000330627000 391462120 /nfs/dbraw/zinc/46/21/20/391462120.db2.gz WLVIQCYHGHAQBT-LBPRGKRZSA-N 1 2 263.341 1.415 20 30 CDEDLO Cc1[nH+]ccn1CCC[NH+]=C([O-])N1CCSC[C@@H]1C ZINC000330394602 391414908 /nfs/dbraw/zinc/41/49/08/391414908.db2.gz LXWDOHYITGSBAU-NSHDSACASA-N 1 2 282.413 1.933 20 30 CDEDLO C[C@H]([C@H](C)Nc1ncc(C#N)cc1F)[NH+]1CCOCC1 ZINC000413121761 391589288 /nfs/dbraw/zinc/58/92/88/391589288.db2.gz HRZRMTPMCTZFMB-WDEREUQCSA-N 1 2 278.331 1.613 20 30 CDEDLO C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000123336925 391716658 /nfs/dbraw/zinc/71/66/58/391716658.db2.gz WSXXBFQEJNMOIB-FZMZJTMJSA-N 1 2 283.335 1.806 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1c(F)cncc1F ZINC000285896682 391718186 /nfs/dbraw/zinc/71/81/86/391718186.db2.gz ZMVOSFHZGZZMBX-RKDXNWHRSA-N 1 2 267.279 1.148 20 30 CDEDLO N#CCN1CC[NH+](Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000351870082 391762848 /nfs/dbraw/zinc/76/28/48/391762848.db2.gz KMYDIZKBNIUVDJ-UHFFFAOYSA-N 1 2 295.289 1.649 20 30 CDEDLO CCOC[C@@H]1CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329748160 391769504 /nfs/dbraw/zinc/76/95/04/391769504.db2.gz STFZIYVOVOINCG-NEPJUHHUSA-N 1 2 292.383 1.539 20 30 CDEDLO CCOC[C@@H]1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329748160 391769509 /nfs/dbraw/zinc/76/95/09/391769509.db2.gz STFZIYVOVOINCG-NEPJUHHUSA-N 1 2 292.383 1.539 20 30 CDEDLO CCn1cc([C@H]2C[N@H+](Cc3cc(C#N)n(C)c3)CCO2)cn1 ZINC000191702431 130280186 /nfs/dbraw/zinc/28/01/86/130280186.db2.gz CIWRLICCTCXYON-MRXNPFEDSA-N 1 2 299.378 1.687 20 30 CDEDLO CCn1cc([C@H]2C[N@@H+](Cc3cc(C#N)n(C)c3)CCO2)cn1 ZINC000191702431 130280189 /nfs/dbraw/zinc/28/01/89/130280189.db2.gz CIWRLICCTCXYON-MRXNPFEDSA-N 1 2 299.378 1.687 20 30 CDEDLO Cc1cc(N(C)CC[NH+]2CCOCC2)cc(C#N)n1 ZINC000342129207 130287696 /nfs/dbraw/zinc/28/76/96/130287696.db2.gz YIQXKXTXLZDZMP-UHFFFAOYSA-N 1 2 260.341 1.030 20 30 CDEDLO Cc1ocnc1CNC([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000329907721 391797595 /nfs/dbraw/zinc/79/75/95/391797595.db2.gz TYLTYRMPYBBDKF-LLVKDONJSA-N 1 2 289.339 1.446 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000163115370 391902491 /nfs/dbraw/zinc/90/24/91/391902491.db2.gz HIYXNJJODAJBBO-AWEZNQCLSA-N 1 2 290.363 1.539 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000163115370 391902492 /nfs/dbraw/zinc/90/24/92/391902492.db2.gz HIYXNJJODAJBBO-AWEZNQCLSA-N 1 2 290.363 1.539 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000342804341 392044845 /nfs/dbraw/zinc/04/48/45/392044845.db2.gz QFNHJWWUQUVPJH-LBPRGKRZSA-N 1 2 279.296 1.180 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000342804341 392044855 /nfs/dbraw/zinc/04/48/55/392044855.db2.gz QFNHJWWUQUVPJH-LBPRGKRZSA-N 1 2 279.296 1.180 20 30 CDEDLO N#CCCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000345151918 392052926 /nfs/dbraw/zinc/05/29/26/392052926.db2.gz OYNWVVYYWRVGFA-UHFFFAOYSA-N 1 2 287.363 1.552 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](C)O ZINC000245805532 131089713 /nfs/dbraw/zinc/08/97/13/131089713.db2.gz PWKQONUPMVGIIB-GXFFZTMASA-N 1 2 262.309 1.085 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](C)O ZINC000245805532 131089716 /nfs/dbraw/zinc/08/97/16/131089716.db2.gz PWKQONUPMVGIIB-GXFFZTMASA-N 1 2 262.309 1.085 20 30 CDEDLO CC(C)[C@@H](CNc1nccnc1C#N)[NH+]1CCOCC1 ZINC000263718420 131315175 /nfs/dbraw/zinc/31/51/75/131315175.db2.gz BEUSFHQRRFNGFK-CYBMUJFWSA-N 1 2 275.356 1.117 20 30 CDEDLO Cc1noc(C)c1C[NH+]1CCN(c2nccnc2C#N)CC1 ZINC000263744807 131321304 /nfs/dbraw/zinc/32/13/04/131321304.db2.gz DQPWPGPNKMPXMM-UHFFFAOYSA-N 1 2 298.350 1.275 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413953240 392844325 /nfs/dbraw/zinc/84/43/25/392844325.db2.gz GHEMHXLSPRQCNM-UHFFFAOYSA-N 1 2 290.367 1.035 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000268575095 132029386 /nfs/dbraw/zinc/02/93/86/132029386.db2.gz REURIORKYBRIOZ-GFCCVEGCSA-N 1 2 297.314 1.168 20 30 CDEDLO CCN1CCN(c2ccc(C)c(C#N)n2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530480757 393051585 /nfs/dbraw/zinc/05/15/85/393051585.db2.gz PIJVKYGKASZGSQ-CQSZACIVSA-N 1 2 296.378 1.868 20 30 CDEDLO N#Cc1csc(C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)c1 ZINC000494364658 393230519 /nfs/dbraw/zinc/23/05/19/393230519.db2.gz NZMDSVIJNONCRL-LLVKDONJSA-N 1 2 277.349 1.646 20 30 CDEDLO N#Cc1csc(C[N@H+]2CCN3C(=O)OCC[C@@H]3C2)c1 ZINC000494364658 393230524 /nfs/dbraw/zinc/23/05/24/393230524.db2.gz NZMDSVIJNONCRL-LLVKDONJSA-N 1 2 277.349 1.646 20 30 CDEDLO C=CCn1cc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)nn1 ZINC000648756615 393280956 /nfs/dbraw/zinc/28/09/56/393280956.db2.gz GBKNJOKFVDIPFL-GFCCVEGCSA-N 1 2 286.339 1.555 20 30 CDEDLO Cn1cc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)cc1C#N ZINC000248813092 140293849 /nfs/dbraw/zinc/29/38/49/140293849.db2.gz CYGYAJXOBYOURV-UONOGXRCSA-N 1 2 272.352 1.140 20 30 CDEDLO Cn1cc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)cc1C#N ZINC000248813092 140293850 /nfs/dbraw/zinc/29/38/50/140293850.db2.gz CYGYAJXOBYOURV-UONOGXRCSA-N 1 2 272.352 1.140 20 30 CDEDLO N#Cc1csc(C[N@H+]2CCC[C@](F)(CO)C2)c1 ZINC000335148355 150339318 /nfs/dbraw/zinc/33/93/18/150339318.db2.gz XLKBIGUXHIOUJA-GFCCVEGCSA-N 1 2 254.330 1.916 20 30 CDEDLO N#Cc1csc(C[N@@H+]2CCC[C@](F)(CO)C2)c1 ZINC000335148355 150339321 /nfs/dbraw/zinc/33/93/21/150339321.db2.gz XLKBIGUXHIOUJA-GFCCVEGCSA-N 1 2 254.330 1.916 20 30 CDEDLO CCOC(=O)C[N@H+](CCOC)Cc1ccc(C#N)c(C)c1 ZINC000362965460 159279503 /nfs/dbraw/zinc/27/95/03/159279503.db2.gz BYHZEHKVWPDDBH-UHFFFAOYSA-N 1 2 290.363 1.878 20 30 CDEDLO CCOC(=O)C[N@@H+](CCOC)Cc1ccc(C#N)c(C)c1 ZINC000362965460 159279504 /nfs/dbraw/zinc/27/95/04/159279504.db2.gz BYHZEHKVWPDDBH-UHFFFAOYSA-N 1 2 290.363 1.878 20 30 CDEDLO C=CCCC(C)(C)NC(=O)NCCn1cc[nH+]c1 ZINC000663240998 412076647 /nfs/dbraw/zinc/07/66/47/412076647.db2.gz FJEIZROQYKXARB-UHFFFAOYSA-N 1 2 250.346 1.927 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000284753765 196125640 /nfs/dbraw/zinc/12/56/40/196125640.db2.gz VVUOLYISPDYENP-ZACQAIPSSA-N 1 2 286.375 1.920 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000284753765 196125642 /nfs/dbraw/zinc/12/56/42/196125642.db2.gz VVUOLYISPDYENP-ZACQAIPSSA-N 1 2 286.375 1.920 20 30 CDEDLO C=CC[N@H+](Cc1nc([C@@H](C)OC)no1)[C@H](C)COC ZINC000661243909 413914912 /nfs/dbraw/zinc/91/49/12/413914912.db2.gz PMLFDGOUXDUOLM-GHMZBOCLSA-N 1 2 269.345 1.800 20 30 CDEDLO C=CC[N@@H+](Cc1nc([C@@H](C)OC)no1)[C@H](C)COC ZINC000661243909 413914921 /nfs/dbraw/zinc/91/49/21/413914921.db2.gz PMLFDGOUXDUOLM-GHMZBOCLSA-N 1 2 269.345 1.800 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000662168421 414548598 /nfs/dbraw/zinc/54/85/98/414548598.db2.gz FVJMRELADUPHLX-IONNQARKSA-N 1 2 272.146 1.437 20 30 CDEDLO Cc1cc(NC(=O)N2CCC(CC#N)CC2)cc[nH+]1 ZINC000334832722 225327355 /nfs/dbraw/zinc/32/73/55/225327355.db2.gz DGRLOOXHOABXMN-UHFFFAOYSA-N 1 2 258.325 1.970 20 30 CDEDLO COC1CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000329966725 228000086 /nfs/dbraw/zinc/00/00/86/228000086.db2.gz VSGQYVRBHKJVBC-GFCCVEGCSA-N 1 2 292.383 1.785 20 30 CDEDLO [O-]C(NCC[C@@H]1CCCCO1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330182705 228058653 /nfs/dbraw/zinc/05/86/53/228058653.db2.gz HLBZQPCWJYPEKY-OLZOCXBDSA-N 1 2 292.383 1.661 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]CC[C@@H]1CCCCO1 ZINC000330182705 228058656 /nfs/dbraw/zinc/05/86/56/228058656.db2.gz HLBZQPCWJYPEKY-OLZOCXBDSA-N 1 2 292.383 1.661 20 30 CDEDLO C=CCNC(=O)C[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000299222338 260174822 /nfs/dbraw/zinc/17/48/22/260174822.db2.gz LRELMIDQYNZKCD-HIFRSBDPSA-N 1 2 274.364 1.751 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000299222338 260174824 /nfs/dbraw/zinc/17/48/24/260174824.db2.gz LRELMIDQYNZKCD-HIFRSBDPSA-N 1 2 274.364 1.751 20 30 CDEDLO COC(=O)c1cccc(OCC(N)=[NH+]OCC(C)C)c1 ZINC000085265404 260372242 /nfs/dbraw/zinc/37/22/42/260372242.db2.gz TUFIGCPSDYSLEF-UHFFFAOYSA-N 1 2 280.324 1.797 20 30 CDEDLO CS(=O)(=O)NCC[N@H+](CC#Cc1ccccc1)C1CC1 ZINC000361377794 261226940 /nfs/dbraw/zinc/22/69/40/261226940.db2.gz PQCBNHPHCJZSKC-UHFFFAOYSA-N 1 2 292.404 1.052 20 30 CDEDLO CS(=O)(=O)NCC[N@@H+](CC#Cc1ccccc1)C1CC1 ZINC000361377794 261226943 /nfs/dbraw/zinc/22/69/43/261226943.db2.gz PQCBNHPHCJZSKC-UHFFFAOYSA-N 1 2 292.404 1.052 20 30 CDEDLO C#CC[N@@H+](C[C@@H]1CCC(C)(C)O1)[C@H]1CCS(=O)(=O)C1 ZINC000491040995 261307266 /nfs/dbraw/zinc/30/72/66/261307266.db2.gz WUELQWLLFQUVLC-STQMWFEESA-N 1 2 285.409 1.066 20 30 CDEDLO C#CC[N@H+](C[C@@H]1CCC(C)(C)O1)[C@H]1CCS(=O)(=O)C1 ZINC000491040995 261307269 /nfs/dbraw/zinc/30/72/69/261307269.db2.gz WUELQWLLFQUVLC-STQMWFEESA-N 1 2 285.409 1.066 20 30 CDEDLO CC(C)(C#N)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000363963956 262071653 /nfs/dbraw/zinc/07/16/53/262071653.db2.gz TXKNZQZXTSIDBU-UHFFFAOYSA-N 1 2 269.308 1.433 20 30 CDEDLO C[C@@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000311716420 262339966 /nfs/dbraw/zinc/33/99/66/262339966.db2.gz WZHSALGDDCLOGL-DZGCQCFKSA-N 1 2 287.363 1.163 20 30 CDEDLO C[C@@H](C#N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000311716420 262339968 /nfs/dbraw/zinc/33/99/68/262339968.db2.gz WZHSALGDDCLOGL-DZGCQCFKSA-N 1 2 287.363 1.163 20 30 CDEDLO CC#CCN1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000365565039 262370748 /nfs/dbraw/zinc/37/07/48/262370748.db2.gz GYHSCZJJKKYACX-OAHLLOKOSA-N 1 2 282.347 1.139 20 30 CDEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CC(C)(C#N)C1 ZINC000280468841 263061993 /nfs/dbraw/zinc/06/19/93/263061993.db2.gz MRRGYLUWLGWOFJ-UHFFFAOYSA-N 1 2 282.347 1.971 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(CC#N)cc1 ZINC000340091881 263068672 /nfs/dbraw/zinc/06/86/72/263068672.db2.gz QAZRZIULGAOAQV-GFCCVEGCSA-N 1 2 268.320 1.768 20 30 CDEDLO CC[N@H+](CC#N)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283485874 263083021 /nfs/dbraw/zinc/08/30/21/263083021.db2.gz JKRNGNYJXUGRAG-CQSZACIVSA-N 1 2 271.364 1.994 20 30 CDEDLO CC[N@@H+](CC#N)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283485874 263083022 /nfs/dbraw/zinc/08/30/22/263083022.db2.gz JKRNGNYJXUGRAG-CQSZACIVSA-N 1 2 271.364 1.994 20 30 CDEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)[C@H](C)C#N ZINC000297884771 263211379 /nfs/dbraw/zinc/21/13/79/263211379.db2.gz PDRJIEZBLVGYEQ-MRVPVSSYSA-N 1 2 292.289 1.993 20 30 CDEDLO N#CC1(NC(=O)c2ccnc(-n3cc[nH+]c3)c2)CCC1 ZINC000299536506 263246260 /nfs/dbraw/zinc/24/62/60/263246260.db2.gz UZPTVZSRMZITLD-UHFFFAOYSA-N 1 2 267.292 1.443 20 30 CDEDLO CC#CCCCC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000342002318 263375878 /nfs/dbraw/zinc/37/58/78/263375878.db2.gz IXIOQLZNXFASKV-ZDUSSCGKSA-N 1 2 252.358 1.017 20 30 CDEDLO CC#CCCCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000342002318 263375880 /nfs/dbraw/zinc/37/58/80/263375880.db2.gz IXIOQLZNXFASKV-ZDUSSCGKSA-N 1 2 252.358 1.017 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CCCOC2)C1 ZINC000328858662 263881351 /nfs/dbraw/zinc/88/13/51/263881351.db2.gz LAEXGWMKNMBRLJ-NEPJUHHUSA-N 1 2 278.356 1.302 20 30 CDEDLO CN(C)C(=O)NCC[N@H+](C)Cc1nccn1C(F)F ZINC000330701759 264017466 /nfs/dbraw/zinc/01/74/66/264017466.db2.gz OCLRFBHNPNEIAM-UHFFFAOYSA-N 1 2 275.303 1.186 20 30 CDEDLO CN(C)C(=O)NCC[N@@H+](C)Cc1nccn1C(F)F ZINC000330701759 264017467 /nfs/dbraw/zinc/01/74/67/264017467.db2.gz OCLRFBHNPNEIAM-UHFFFAOYSA-N 1 2 275.303 1.186 20 30 CDEDLO CCC(CC)[C@@H](C(=O)N(C)CC#N)[NH+]1CCOCC1 ZINC000330905044 264073828 /nfs/dbraw/zinc/07/38/28/264073828.db2.gz RFLYVCWATQRRPB-ZDUSSCGKSA-N 1 2 267.373 1.105 20 30 CDEDLO CC[C@H](C(=O)NCC(C)(C)C#N)[N@@H+]1CCO[C@@H](CC)C1 ZINC000331115926 264128676 /nfs/dbraw/zinc/12/86/76/264128676.db2.gz DPRUNYHKRGATKJ-QWHCGFSZSA-N 1 2 281.400 1.542 20 30 CDEDLO CC[C@H](C(=O)NCC(C)(C)C#N)[N@H+]1CCO[C@@H](CC)C1 ZINC000331115926 264128678 /nfs/dbraw/zinc/12/86/78/264128678.db2.gz DPRUNYHKRGATKJ-QWHCGFSZSA-N 1 2 281.400 1.542 20 30 CDEDLO N#CCCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000331169366 264145835 /nfs/dbraw/zinc/14/58/35/264145835.db2.gz UWNCNZYJDXAKIN-GFCCVEGCSA-N 1 2 260.297 1.362 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CCC[C@H]1CCO ZINC000331173958 264147359 /nfs/dbraw/zinc/14/73/59/264147359.db2.gz KKUAHHRQHXPQKV-NWDGAFQWSA-N 1 2 280.372 1.317 20 30 CDEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(C)nn1C ZINC000331130287 264148306 /nfs/dbraw/zinc/14/83/06/264148306.db2.gz IZAFXDLTFULGQV-LBPRGKRZSA-N 1 2 262.357 1.708 20 30 CDEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C)nn1C ZINC000331130287 264148309 /nfs/dbraw/zinc/14/83/09/264148309.db2.gz IZAFXDLTFULGQV-LBPRGKRZSA-N 1 2 262.357 1.708 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000491769889 269983386 /nfs/dbraw/zinc/98/33/86/269983386.db2.gz OMFPFIMSXKRILP-HNNXBMFYSA-N 1 2 283.331 1.221 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000491769889 269983387 /nfs/dbraw/zinc/98/33/87/269983387.db2.gz OMFPFIMSXKRILP-HNNXBMFYSA-N 1 2 283.331 1.221 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000652998553 424091211 /nfs/dbraw/zinc/09/12/11/424091211.db2.gz QYUCGSRNHZDKAD-MRXNPFEDSA-N 1 2 298.427 1.396 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCCN(CC(F)F)CC2)nn1 ZINC000653595125 424310692 /nfs/dbraw/zinc/31/06/92/424310692.db2.gz WJWSMQHNWRJRBV-UHFFFAOYSA-N 1 2 299.369 1.627 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCCN(CC(F)F)CC2)nn1 ZINC000653595125 424310699 /nfs/dbraw/zinc/31/06/99/424310699.db2.gz WJWSMQHNWRJRBV-UHFFFAOYSA-N 1 2 299.369 1.627 20 30 CDEDLO C=C[C@H](CO)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000356856154 266192757 /nfs/dbraw/zinc/19/27/57/266192757.db2.gz OYKVHOZGADCPCQ-CQSZACIVSA-N 1 2 271.320 1.208 20 30 CDEDLO NS(=O)(=O)[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000357394587 266289596 /nfs/dbraw/zinc/28/95/96/266289596.db2.gz WNFKLYBKBUBEAA-CYBMUJFWSA-N 1 2 298.795 1.054 20 30 CDEDLO NS(=O)(=O)[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000357394587 266289598 /nfs/dbraw/zinc/28/95/98/266289598.db2.gz WNFKLYBKBUBEAA-CYBMUJFWSA-N 1 2 298.795 1.054 20 30 CDEDLO COc1ccc([C@@H](NC(=O)[C@@H](C)C#N)c2[nH+]ccn2C)cc1 ZINC000357800920 266366132 /nfs/dbraw/zinc/36/61/32/266366132.db2.gz OBACAOLCBKPNIJ-SMDDNHRTSA-N 1 2 298.346 1.794 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000357924367 266386243 /nfs/dbraw/zinc/38/62/43/266386243.db2.gz ZTJNEEHNNWWDQK-UHFFFAOYSA-N 1 2 261.369 1.813 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000357924367 266386246 /nfs/dbraw/zinc/38/62/46/266386246.db2.gz ZTJNEEHNNWWDQK-UHFFFAOYSA-N 1 2 261.369 1.813 20 30 CDEDLO C=CCn1cccc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000358180941 266435034 /nfs/dbraw/zinc/43/50/34/266435034.db2.gz BQILQCWBTBDNBV-LLVKDONJSA-N 1 2 270.336 1.685 20 30 CDEDLO C=CCn1cccc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000358180941 266435036 /nfs/dbraw/zinc/43/50/36/266435036.db2.gz BQILQCWBTBDNBV-LLVKDONJSA-N 1 2 270.336 1.685 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H](C)C1CCCC1)C(=O)OC ZINC000361110837 266786127 /nfs/dbraw/zinc/78/61/27/266786127.db2.gz IAPCRAOGFUHFNG-YPMHNXCESA-N 1 2 255.358 1.899 20 30 CDEDLO C#CC[NH+]1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000394899987 269556892 /nfs/dbraw/zinc/55/68/92/269556892.db2.gz GECJBAXZIYMFKR-UHFFFAOYSA-N 1 2 270.292 1.222 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000299333747 277683250 /nfs/dbraw/zinc/68/32/50/277683250.db2.gz PXVGSFKVINUEBC-SOUVJXGZSA-N 1 2 260.381 1.733 20 30 CDEDLO Cc1ncncc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330325870 279176640 /nfs/dbraw/zinc/17/66/40/279176640.db2.gz UUZVVJDBRHQYIC-JTQLQIEISA-N 1 2 257.297 1.301 20 30 CDEDLO N#Cc1ccc(/C=C\C(=O)N2CCn3cc[nH+]c3C2)cc1 ZINC000491867364 279509418 /nfs/dbraw/zinc/50/94/18/279509418.db2.gz KKTJCJQHJPUHPN-WAYWQWQTSA-N 1 2 278.315 1.810 20 30 CDEDLO CC1(C)CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCS1 ZINC000330193183 281146598 /nfs/dbraw/zinc/14/65/98/281146598.db2.gz ODCPLMYUTJXZQX-LLVKDONJSA-N 1 2 294.424 1.939 20 30 CDEDLO C[C@H](NC(=O)N[C@]1(C)CCO[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000329756106 289234236 /nfs/dbraw/zinc/23/42/36/289234236.db2.gz MATONEVHPAHALF-RMRHIDDWSA-N 1 2 299.415 1.167 20 30 CDEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccccc2C#N)C(C)(C)C1 ZINC000270983269 290053180 /nfs/dbraw/zinc/05/31/80/290053180.db2.gz COHSCNIZCHRCLS-UHFFFAOYSA-N 1 2 293.392 1.273 20 30 CDEDLO C[N@H+]1CCN(S(=O)(=O)c2ccccc2C#N)C(C)(C)C1 ZINC000270983269 290053187 /nfs/dbraw/zinc/05/31/87/290053187.db2.gz COHSCNIZCHRCLS-UHFFFAOYSA-N 1 2 293.392 1.273 20 30 CDEDLO N#Cc1cc(NCc2cccc(Cn3cc[nH+]c3)c2)ncn1 ZINC000572701265 294674938 /nfs/dbraw/zinc/67/49/38/294674938.db2.gz OTJSHPJXIVXQHM-UHFFFAOYSA-N 1 2 290.330 1.627 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](F)C1 ZINC000334811535 298136414 /nfs/dbraw/zinc/13/64/14/298136414.db2.gz NCJIIWCYYMSBAG-VXGBXAGGSA-N 1 2 267.348 1.761 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](F)C1 ZINC000334811535 298136416 /nfs/dbraw/zinc/13/64/16/298136416.db2.gz NCJIIWCYYMSBAG-VXGBXAGGSA-N 1 2 267.348 1.761 20 30 CDEDLO CS(=O)(=O)c1ccc(C[NH2+]CCC#N)cc1Cl ZINC000582117747 327877592 /nfs/dbraw/zinc/87/75/92/327877592.db2.gz FJQIILICTMNZPZ-UHFFFAOYSA-N 1 2 272.757 1.747 20 30 CDEDLO N#Cc1ccc(NCCCCn2cc[nH+]c2)nc1N ZINC000563424286 316305492 /nfs/dbraw/zinc/30/54/92/316305492.db2.gz BOHBIAMCLLDNSA-UHFFFAOYSA-N 1 2 256.313 1.046 20 30 CDEDLO CC(C)[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1COC1 ZINC000331964754 328005202 /nfs/dbraw/zinc/00/52/02/328005202.db2.gz AQOBTLPNWHGKPA-CQSZACIVSA-N 1 2 267.373 1.150 20 30 CDEDLO CC(C)[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1COC1 ZINC000331964754 328005203 /nfs/dbraw/zinc/00/52/03/328005203.db2.gz AQOBTLPNWHGKPA-CQSZACIVSA-N 1 2 267.373 1.150 20 30 CDEDLO N#CCC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000273885322 328206954 /nfs/dbraw/zinc/20/69/54/328206954.db2.gz ANDQBUJFRXNMQP-UHFFFAOYSA-N 1 2 258.325 1.602 20 30 CDEDLO CCOc1ccccc1NC(=O)[C@@H](C)O[NH+]=C(N)CCO ZINC000275536321 328215494 /nfs/dbraw/zinc/21/54/94/328215494.db2.gz RNMNIJUESAQUHV-SNVBAGLBSA-N 1 2 295.339 1.084 20 30 CDEDLO C=CC[N@H+](Cc1ccccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179562685 329209304 /nfs/dbraw/zinc/20/93/04/329209304.db2.gz XYZCSVMBKFDXFH-CYBMUJFWSA-N 1 2 281.377 1.567 20 30 CDEDLO C[C@@H](O[NH+]=C(N)[C@@H]1CCCO1)c1nc(C2CC2)no1 ZINC000284445987 328245915 /nfs/dbraw/zinc/24/59/15/328245915.db2.gz PQRXAPUXILJJRM-APPZFPTMSA-N 1 2 266.301 1.476 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c1 ZINC000579577247 324220619 /nfs/dbraw/zinc/22/06/19/324220619.db2.gz ORVQVJSHEQLOMK-CYBMUJFWSA-N 1 2 283.335 1.762 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c1 ZINC000579577247 324220624 /nfs/dbraw/zinc/22/06/24/324220624.db2.gz ORVQVJSHEQLOMK-CYBMUJFWSA-N 1 2 283.335 1.762 20 30 CDEDLO N#Cc1csc(CN2CCN(Cc3[nH]cc[nH+]3)CC2)n1 ZINC000583665702 325216323 /nfs/dbraw/zinc/21/63/23/325216323.db2.gz JUANAAMVQJPHID-UHFFFAOYSA-N 1 2 288.380 1.056 20 30 CDEDLO N#C[C@@H]1N(Cc2cc[nH+]c(N)c2)CCC[C@@]12CCCCO2 ZINC000556813083 326967439 /nfs/dbraw/zinc/96/74/39/326967439.db2.gz ZODAXFYNLSBGOX-HOCLYGCPSA-N 1 2 286.379 1.921 20 30 CDEDLO COc1cccc(/C=[NH+]\CCCN2CCOC2=O)c1O ZINC000255917518 327029495 /nfs/dbraw/zinc/02/94/95/327029495.db2.gz SYYUZLVAUBTOKL-GDNBJRDFSA-N 1 2 278.308 1.662 20 30 CDEDLO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc1 ZINC000558506724 327099704 /nfs/dbraw/zinc/09/97/04/327099704.db2.gz KJDFVIPJZVKLNL-CYBMUJFWSA-N 1 2 291.376 1.623 20 30 CDEDLO C=CCn1cc(CN[C@H]2C[C@H](C)n3cc[nH+]c32)nn1 ZINC000569350282 327155409 /nfs/dbraw/zinc/15/54/09/327155409.db2.gz IQRBMTFFDCFCLQ-JQWIXIFHSA-N 1 2 258.329 1.456 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCCN(C(C)C)C1=O ZINC000179309491 329206992 /nfs/dbraw/zinc/20/69/92/329206992.db2.gz NMKOFEKBHDTDGC-CHWSQXEVSA-N 1 2 251.374 1.867 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCCN(C(C)C)C1=O ZINC000179309491 329206994 /nfs/dbraw/zinc/20/69/94/329206994.db2.gz NMKOFEKBHDTDGC-CHWSQXEVSA-N 1 2 251.374 1.867 20 30 CDEDLO CC#CCCCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000185698278 329329019 /nfs/dbraw/zinc/32/90/19/329329019.db2.gz VJQPPHXYJLNXCQ-OAHLLOKOSA-N 1 2 278.396 1.503 20 30 CDEDLO C[C@H]1CC[C@H](CN(CCC#N)CC[NH+]2CCOCC2)O1 ZINC000190628301 329399971 /nfs/dbraw/zinc/39/99/71/329399971.db2.gz YQAWAKOEGKRWTF-LSDHHAIUSA-N 1 2 281.400 1.102 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cn(C(C)C)nc2C)nn1 ZINC000424166873 330309443 /nfs/dbraw/zinc/30/94/43/330309443.db2.gz BRLJTGGWXBQLDO-UHFFFAOYSA-N 1 2 274.372 1.840 20 30 CDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000451284073 331023109 /nfs/dbraw/zinc/02/31/09/331023109.db2.gz JDKOZJLVVBCJFD-DOMZBBRYSA-N 1 2 279.384 1.105 20 30 CDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000451284073 331023110 /nfs/dbraw/zinc/02/31/10/331023110.db2.gz JDKOZJLVVBCJFD-DOMZBBRYSA-N 1 2 279.384 1.105 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCOc2ccc(OC)cc2C1 ZINC000451642887 331037653 /nfs/dbraw/zinc/03/76/53/331037653.db2.gz MYUAQRHIJOWQRV-UHFFFAOYSA-N 1 2 276.336 1.192 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCOc2ccc(OC)cc2C1 ZINC000451642887 331037654 /nfs/dbraw/zinc/03/76/54/331037654.db2.gz MYUAQRHIJOWQRV-UHFFFAOYSA-N 1 2 276.336 1.192 20 30 CDEDLO C=C(C)CCNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000455307765 331165146 /nfs/dbraw/zinc/16/51/46/331165146.db2.gz IWSMIZOPIBTFCS-UHFFFAOYSA-N 1 2 288.395 1.875 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456436521 331192553 /nfs/dbraw/zinc/19/25/53/331192553.db2.gz WJQUPOFJBLBHGT-UMSGYPCISA-N 1 2 275.352 1.986 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000457702250 331231717 /nfs/dbraw/zinc/23/17/17/331231717.db2.gz VNGOFUFBILGEQH-ZDUSSCGKSA-N 1 2 292.383 1.274 20 30 CDEDLO CC(C)(CC#N)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000457990379 331239359 /nfs/dbraw/zinc/23/93/59/331239359.db2.gz HBTBWFRTRHEVHV-AWEZNQCLSA-N 1 2 293.411 1.686 20 30 CDEDLO CC(C)(CC#N)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000457990379 331239360 /nfs/dbraw/zinc/23/93/60/331239360.db2.gz HBTBWFRTRHEVHV-AWEZNQCLSA-N 1 2 293.411 1.686 20 30 CDEDLO C=CCN(CCOC)C(=O)NCc1c[nH+]ccc1OC ZINC000458808043 331260495 /nfs/dbraw/zinc/26/04/95/331260495.db2.gz HMFOSRHRYAEQLH-UHFFFAOYSA-N 1 2 279.340 1.434 20 30 CDEDLO C=CCCCS(=O)(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000489612052 332061569 /nfs/dbraw/zinc/06/15/69/332061569.db2.gz XVITYKRLQSDZQL-AWEZNQCLSA-N 1 2 296.392 1.831 20 30 CDEDLO C#C[C@H](CCC)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000490738509 332109731 /nfs/dbraw/zinc/10/97/31/332109731.db2.gz ASCQSWCOXGJMEP-HIFRSBDPSA-N 1 2 278.396 1.548 20 30 CDEDLO C#C[C@H](CCC)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000490738509 332109732 /nfs/dbraw/zinc/10/97/32/332109732.db2.gz ASCQSWCOXGJMEP-HIFRSBDPSA-N 1 2 278.396 1.548 20 30 CDEDLO C#CC[N@@H+](Cn1nc(CO)n(C)c1=S)C1CCCCC1 ZINC000490838558 332119054 /nfs/dbraw/zinc/11/90/54/332119054.db2.gz CRAWYRNHPADWID-UHFFFAOYSA-N 1 2 294.424 1.669 20 30 CDEDLO C#CC[N@H+](Cn1nc(CO)n(C)c1=S)C1CCCCC1 ZINC000490838558 332119055 /nfs/dbraw/zinc/11/90/55/332119055.db2.gz CRAWYRNHPADWID-UHFFFAOYSA-N 1 2 294.424 1.669 20 30 CDEDLO C#CCN(CC#CC)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000490865873 332121885 /nfs/dbraw/zinc/12/18/85/332121885.db2.gz JQKNDDCVHWNGDR-HNNXBMFYSA-N 1 2 298.390 1.737 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cnc2c(c1)c(C)nn2C ZINC000490922934 332129561 /nfs/dbraw/zinc/12/95/61/332129561.db2.gz HIJONSQQOVORDN-UHFFFAOYSA-N 1 2 266.348 1.735 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cnc2c(c1)c(C)nn2C ZINC000490922934 332129563 /nfs/dbraw/zinc/12/95/63/332129563.db2.gz HIJONSQQOVORDN-UHFFFAOYSA-N 1 2 266.348 1.735 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cc(-c2cnn(C)c2)no1 ZINC000490961045 332133343 /nfs/dbraw/zinc/13/33/43/332133343.db2.gz FKHZMAWTZVIVLK-UHFFFAOYSA-N 1 2 268.320 1.534 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cc(-c2cnn(C)c2)no1 ZINC000490961045 332133344 /nfs/dbraw/zinc/13/33/44/332133344.db2.gz FKHZMAWTZVIVLK-UHFFFAOYSA-N 1 2 268.320 1.534 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000491252606 332174515 /nfs/dbraw/zinc/17/45/15/332174515.db2.gz IXHAVMLANMZYLK-NSHDSACASA-N 1 2 273.336 1.537 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000491252606 332174517 /nfs/dbraw/zinc/17/45/17/332174517.db2.gz IXHAVMLANMZYLK-NSHDSACASA-N 1 2 273.336 1.537 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)C[C@@H](C)CS(C)(=O)=O)n1 ZINC000491286703 332181608 /nfs/dbraw/zinc/18/16/08/332181608.db2.gz JEAGJVORAPGAON-CYBMUJFWSA-N 1 2 297.424 1.019 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)C[C@@H](C)CS(C)(=O)=O)n1 ZINC000491286703 332181610 /nfs/dbraw/zinc/18/16/10/332181610.db2.gz JEAGJVORAPGAON-CYBMUJFWSA-N 1 2 297.424 1.019 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000491303774 332185686 /nfs/dbraw/zinc/18/56/86/332185686.db2.gz CFDIGYJMBJMCRO-LBPRGKRZSA-N 1 2 270.336 1.540 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000491305385 332186396 /nfs/dbraw/zinc/18/63/96/332186396.db2.gz ITFXOOHUEIHTOF-JTQLQIEISA-N 1 2 258.312 1.444 20 30 CDEDLO C#CCN(C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21)C1CC1 ZINC000491393591 332203155 /nfs/dbraw/zinc/20/31/55/332203155.db2.gz IMSVWIYBLUPQGU-ZDUSSCGKSA-N 1 2 286.379 1.876 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000491428876 332210008 /nfs/dbraw/zinc/21/00/08/332210008.db2.gz QZWGLCVEBMVUPE-NSHDSACASA-N 1 2 275.308 1.795 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000491428876 332210009 /nfs/dbraw/zinc/21/00/09/332210009.db2.gz QZWGLCVEBMVUPE-NSHDSACASA-N 1 2 275.308 1.795 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N(C)c1ccccc1 ZINC000491547012 332235796 /nfs/dbraw/zinc/23/57/96/332235796.db2.gz YBRAUFOZSFEKSW-CQSZACIVSA-N 1 2 254.333 1.606 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)NC2(C1=O)[C@H](C)CCC[C@H]2C ZINC000491566851 332239312 /nfs/dbraw/zinc/23/93/12/332239312.db2.gz IEGMTZLVBFQBSG-UPJWGTAASA-N 1 2 291.395 1.644 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)NC2(C1=O)[C@H](C)CCC[C@H]2C ZINC000491566851 332239314 /nfs/dbraw/zinc/23/93/14/332239314.db2.gz IEGMTZLVBFQBSG-UPJWGTAASA-N 1 2 291.395 1.644 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cc1nnc(-c2ccccc2)n1C ZINC000491709240 332301249 /nfs/dbraw/zinc/30/12/49/332301249.db2.gz VWEBGZCSFTUPKH-LBPRGKRZSA-N 1 2 254.337 1.936 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cc1nnc(-c2ccccc2)n1C ZINC000491709240 332301250 /nfs/dbraw/zinc/30/12/50/332301250.db2.gz VWEBGZCSFTUPKH-LBPRGKRZSA-N 1 2 254.337 1.936 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)CCOC(C)(C)C)n1 ZINC000491709523 332301616 /nfs/dbraw/zinc/30/16/16/332301616.db2.gz QQBALVYDZDNZFB-UHFFFAOYSA-N 1 2 293.411 1.780 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)CCOC(C)(C)C)n1 ZINC000491709523 332301618 /nfs/dbraw/zinc/30/16/18/332301618.db2.gz QQBALVYDZDNZFB-UHFFFAOYSA-N 1 2 293.411 1.780 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C\c1ccc(OCC#N)cc1 ZINC000491733646 332314592 /nfs/dbraw/zinc/31/45/92/332314592.db2.gz HRNPISFMLAFHKU-DAXSKMNVSA-N 1 2 296.330 1.984 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000491773778 332339724 /nfs/dbraw/zinc/33/97/24/332339724.db2.gz CJFDTJHVXTVWIF-PWSUYJOCSA-N 1 2 260.341 1.534 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(-c2cnn(C)c2)s1 ZINC000491783613 332347011 /nfs/dbraw/zinc/34/70/11/332347011.db2.gz PPVNUXXNVURKAX-CYBMUJFWSA-N 1 2 287.388 1.983 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(-c2cnn(C)c2)s1 ZINC000491783613 332347012 /nfs/dbraw/zinc/34/70/12/332347012.db2.gz PPVNUXXNVURKAX-CYBMUJFWSA-N 1 2 287.388 1.983 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000491807929 332361110 /nfs/dbraw/zinc/36/11/10/332361110.db2.gz UVFCAIBCUQWMNK-ZDUSSCGKSA-N 1 2 269.348 1.577 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000491807929 332361111 /nfs/dbraw/zinc/36/11/11/332361111.db2.gz UVFCAIBCUQWMNK-ZDUSSCGKSA-N 1 2 269.348 1.577 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000494886198 332489728 /nfs/dbraw/zinc/48/97/28/332489728.db2.gz NDRSWKTWCLRICA-QLFBSQMISA-N 1 2 295.427 1.846 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000252011820 334373144 /nfs/dbraw/zinc/37/31/44/334373144.db2.gz XROUIODWEIEQFX-ZIAGYGMSSA-N 1 2 284.400 1.147 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000252011820 334373145 /nfs/dbraw/zinc/37/31/45/334373145.db2.gz XROUIODWEIEQFX-ZIAGYGMSSA-N 1 2 284.400 1.147 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCCc2occc2C1 ZINC000564156499 333126117 /nfs/dbraw/zinc/12/61/17/333126117.db2.gz KVSCXUXCACBYHX-GFCCVEGCSA-N 1 2 287.363 1.979 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCCc2occc2C1 ZINC000564156499 333126118 /nfs/dbraw/zinc/12/61/18/333126118.db2.gz KVSCXUXCACBYHX-GFCCVEGCSA-N 1 2 287.363 1.979 20 30 CDEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(CCCC#N)n2)C1 ZINC000232640035 333339973 /nfs/dbraw/zinc/33/99/73/333339973.db2.gz SZWFTBGDONUTFY-NSHDSACASA-N 1 2 264.329 1.698 20 30 CDEDLO CC(C)[N@H+]1CCO[C@H](c2noc(CCCC#N)n2)C1 ZINC000232640035 333339975 /nfs/dbraw/zinc/33/99/75/333339975.db2.gz SZWFTBGDONUTFY-NSHDSACASA-N 1 2 264.329 1.698 20 30 CDEDLO CCC(CC)[C@@H](C(=O)NC[C@@H](C)C#N)[NH+]1CCOCC1 ZINC000173647520 335137342 /nfs/dbraw/zinc/13/73/42/335137342.db2.gz RHHZJDXBQFQPLN-JSGCOSHPSA-N 1 2 281.400 1.399 20 30 CDEDLO CC(C)c1ncsc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000576112110 335156177 /nfs/dbraw/zinc/15/61/77/335156177.db2.gz XGZLGAJFVBQASZ-ZDUSSCGKSA-N 1 2 280.397 1.840 20 30 CDEDLO CC(C)[C@H](C(=O)NCC1(C#N)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576182760 335166092 /nfs/dbraw/zinc/16/60/92/335166092.db2.gz PMEWRSSBWBEDQL-HZSPNIEDSA-N 1 2 293.411 1.540 20 30 CDEDLO CC(C)[C@H](C(=O)NCC1(C#N)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576182760 335166094 /nfs/dbraw/zinc/16/60/94/335166094.db2.gz PMEWRSSBWBEDQL-HZSPNIEDSA-N 1 2 293.411 1.540 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000134867441 334106192 /nfs/dbraw/zinc/10/61/92/334106192.db2.gz JGTVXTPCBGUIGY-HNNXBMFYSA-N 1 2 268.401 1.816 20 30 CDEDLO C[C@@H](C#N)CNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000552224864 334305232 /nfs/dbraw/zinc/30/52/32/334305232.db2.gz XDELMSSPJPCNNN-VIFPVBQESA-N 1 2 259.300 1.239 20 30 CDEDLO C=CCCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccn1 ZINC001754475108 1159225416 /nfs/dbraw/zinc/22/54/16/1159225416.db2.gz KRQGHJHNBPRNSG-CQSZACIVSA-N 1 2 259.353 1.738 20 30 CDEDLO C=CCCC(=O)NC[C@H]1CC[N@H+]1Cc1ccccn1 ZINC001754475108 1159225420 /nfs/dbraw/zinc/22/54/20/1159225420.db2.gz KRQGHJHNBPRNSG-CQSZACIVSA-N 1 2 259.353 1.738 20 30 CDEDLO C[C@H](C#N)C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000566117810 334624596 /nfs/dbraw/zinc/62/45/96/334624596.db2.gz UTOLQLZDYNJRDF-LLVKDONJSA-N 1 2 277.349 1.081 20 30 CDEDLO CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000576758762 335244408 /nfs/dbraw/zinc/24/44/08/335244408.db2.gz GKERXVHELYLEBN-IJEWVQPXSA-N 1 2 295.427 1.932 20 30 CDEDLO CCCc1ncc(C(=O)N[C@](C)(C#N)C[NH+](C)C)s1 ZINC000577694010 335389397 /nfs/dbraw/zinc/38/93/97/335389397.db2.gz YCTZWTFFCAWAAZ-CYBMUJFWSA-N 1 2 280.397 1.669 20 30 CDEDLO C[C@H](Oc1ccc(F)cc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000579184878 335718808 /nfs/dbraw/zinc/71/88/08/335718808.db2.gz JWRUOHVWPIKOBU-NHYWBVRUSA-N 1 2 293.342 1.553 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1Cc2ccccc2S1 ZINC000581433116 336076715 /nfs/dbraw/zinc/07/67/15/336076715.db2.gz XETCIKLOLGTKIV-DZGCQCFKSA-N 1 2 289.404 1.663 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)C1CCC=CCC1 ZINC001754502384 1159249975 /nfs/dbraw/zinc/24/99/75/1159249975.db2.gz GRRKVTAJBSLTJK-MRXNPFEDSA-N 1 2 290.407 1.573 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)C1CCC=CCC1 ZINC001754502384 1159249977 /nfs/dbraw/zinc/24/99/77/1159249977.db2.gz GRRKVTAJBSLTJK-MRXNPFEDSA-N 1 2 290.407 1.573 20 30 CDEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@H](C)[C@@H](C)CC)C1 ZINC001755337769 1159836648 /nfs/dbraw/zinc/83/66/48/1159836648.db2.gz SWEGPOOMRXVETR-UONOGXRCSA-N 1 2 280.412 1.245 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CCOCC2)[C@H]1C ZINC001088442216 1160411129 /nfs/dbraw/zinc/41/11/29/1160411129.db2.gz SRFCJTMJHVIFKC-YPMHNXCESA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CCOCC2)[C@H]1C ZINC001088442216 1160411135 /nfs/dbraw/zinc/41/11/35/1160411135.db2.gz SRFCJTMJHVIFKC-YPMHNXCESA-N 1 2 286.803 1.745 20 30 CDEDLO CCOc1cccc(N2CC[NH+](CC#CCOC)CC2)n1 ZINC000677818011 482294760 /nfs/dbraw/zinc/29/47/60/482294760.db2.gz SFSWAYHYKFEWQI-UHFFFAOYSA-N 1 2 289.379 1.252 20 30 CDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCOC[C@@H]2C2CCC2)cc1 ZINC000566853969 482440444 /nfs/dbraw/zinc/44/04/44/482440444.db2.gz LNOBUJBGJKATKM-MRXNPFEDSA-N 1 2 299.374 1.998 20 30 CDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCOC[C@@H]2C2CCC2)cc1 ZINC000566853969 482440445 /nfs/dbraw/zinc/44/04/45/482440445.db2.gz LNOBUJBGJKATKM-MRXNPFEDSA-N 1 2 299.374 1.998 20 30 CDEDLO CCC#C[C@@H](C)[NH+]1CCN(c2nc(C)ns2)CC1 ZINC000677480655 482683619 /nfs/dbraw/zinc/68/36/19/482683619.db2.gz YKLRCSGILRBECF-LLVKDONJSA-N 1 2 264.398 1.770 20 30 CDEDLO C=CCCOCCNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000677483611 482686274 /nfs/dbraw/zinc/68/62/74/482686274.db2.gz TXLYDHKHJLBHGX-CQSZACIVSA-N 1 2 292.383 1.822 20 30 CDEDLO COCC#CC[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000677822211 482796994 /nfs/dbraw/zinc/79/69/94/482796994.db2.gz QENPZUMYOMSULK-NSHDSACASA-N 1 2 264.291 1.205 20 30 CDEDLO COCC#CC[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000677822211 482796998 /nfs/dbraw/zinc/79/69/98/482796998.db2.gz QENPZUMYOMSULK-NSHDSACASA-N 1 2 264.291 1.205 20 30 CDEDLO C=C(C)CN(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000679285331 483325141 /nfs/dbraw/zinc/32/51/41/483325141.db2.gz BQZNWIPRVLITHT-UHFFFAOYSA-N 1 2 250.346 1.881 20 30 CDEDLO CC#CC[C@H](CO)NC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668168206 483593989 /nfs/dbraw/zinc/59/39/89/483593989.db2.gz QXYMQMIEDHWOAY-CYBMUJFWSA-N 1 2 286.335 1.539 20 30 CDEDLO CS(=O)(=O)C1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000310430750 1161141919 /nfs/dbraw/zinc/14/19/19/1161141919.db2.gz QCGANUOPPVJHFH-UHFFFAOYSA-N 1 2 256.371 1.189 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2cscn2)C1 ZINC001108264621 1161971165 /nfs/dbraw/zinc/97/11/65/1161971165.db2.gz WCWQNRRRQNVUGZ-AWEZNQCLSA-N 1 2 295.408 1.079 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2cscn2)C1 ZINC001108264621 1161971167 /nfs/dbraw/zinc/97/11/67/1161971167.db2.gz WCWQNRRRQNVUGZ-AWEZNQCLSA-N 1 2 295.408 1.079 20 30 CDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000049443106 518249064 /nfs/dbraw/zinc/24/90/64/518249064.db2.gz DKWZILCIPFPZLR-UHFFFAOYSA-N 1 2 296.367 1.155 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2cccc(Cl)n2)CC1 ZINC000051073701 518270958 /nfs/dbraw/zinc/27/09/58/518270958.db2.gz FNCGEYSFMRUZQZ-UHFFFAOYSA-N 1 2 263.728 1.126 20 30 CDEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000069036676 518890652 /nfs/dbraw/zinc/89/06/52/518890652.db2.gz IVCNNSDKZLOQSD-UHFFFAOYSA-N 1 2 293.798 1.764 20 30 CDEDLO CC#CCCCC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000184934154 519331229 /nfs/dbraw/zinc/33/12/29/519331229.db2.gz QVMUUVPFEUPWTR-UHFFFAOYSA-N 1 2 285.391 1.919 20 30 CDEDLO CC[C@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000247417413 523272608 /nfs/dbraw/zinc/27/26/08/523272608.db2.gz DEIWILLXALMAED-DOMZBBRYSA-N 1 2 287.363 1.996 20 30 CDEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000247417413 523272615 /nfs/dbraw/zinc/27/26/15/523272615.db2.gz DEIWILLXALMAED-DOMZBBRYSA-N 1 2 287.363 1.996 20 30 CDEDLO C=CCO[C@H](C)C(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001113713504 1162264521 /nfs/dbraw/zinc/26/45/21/1162264521.db2.gz RTHXRCTWISLQMN-CQSZACIVSA-N 1 2 296.411 1.148 20 30 CDEDLO O=C(NCC1([NH+]2CCOCC2)CC1)N[C@H]1CCCSC1 ZINC000330231271 534751686 /nfs/dbraw/zinc/75/16/86/534751686.db2.gz WVDGBVJGBNCDSK-LBPRGKRZSA-N 1 2 299.440 1.250 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccncc1C#N)CCC2 ZINC000363694874 525933445 /nfs/dbraw/zinc/93/34/45/525933445.db2.gz AGQULLCQRZMEAJ-GFCCVEGCSA-N 1 2 267.336 1.870 20 30 CDEDLO Cc1nnc(SCc2[nH+]ccn2C)c(C#N)c1C ZINC000182720200 526388154 /nfs/dbraw/zinc/38/81/54/526388154.db2.gz MEWNTLHKXFVHBF-UHFFFAOYSA-N 1 2 259.338 1.991 20 30 CDEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3ccnc(N)c3)CCO2)c1 ZINC000365841048 526732385 /nfs/dbraw/zinc/73/23/85/526732385.db2.gz XTFOGBMVUDPCHW-MRXNPFEDSA-N 1 2 294.358 1.939 20 30 CDEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccnc(N)c3)CCO2)c1 ZINC000365841048 526732391 /nfs/dbraw/zinc/73/23/91/526732391.db2.gz XTFOGBMVUDPCHW-MRXNPFEDSA-N 1 2 294.358 1.939 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347292077 527530511 /nfs/dbraw/zinc/53/05/11/527530511.db2.gz YWEJLMIRUNZDIW-HNNXBMFYSA-N 1 2 296.411 1.196 20 30 CDEDLO CCN1CCC[N@H+](Cc2ccccc2C#N)CC1=O ZINC000190170802 535520560 /nfs/dbraw/zinc/52/05/60/535520560.db2.gz NSPSFZADJZASDU-UHFFFAOYSA-N 1 2 257.337 1.612 20 30 CDEDLO CCN1CCC[N@@H+](Cc2ccccc2C#N)CC1=O ZINC000190170802 535520564 /nfs/dbraw/zinc/52/05/64/535520564.db2.gz NSPSFZADJZASDU-UHFFFAOYSA-N 1 2 257.337 1.612 20 30 CDEDLO COc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)nc1 ZINC000435884111 536896236 /nfs/dbraw/zinc/89/62/36/536896236.db2.gz NYYJQSILWISXLX-OAHLLOKOSA-N 1 2 296.330 1.278 20 30 CDEDLO Cc1cn2cc(NC(=O)N3C[C@@H](F)C[C@H]3CO)ccc2[nH+]1 ZINC000328599308 538238080 /nfs/dbraw/zinc/23/80/80/538238080.db2.gz BWRMDPCFEJOLSR-JQWIXIFHSA-N 1 2 292.314 1.593 20 30 CDEDLO COCC[N@H+](CC(=O)N(C)C)Cc1ccc(C#N)cc1 ZINC000051920578 538355811 /nfs/dbraw/zinc/35/58/11/538355811.db2.gz IWHYVYAKQGYPJA-UHFFFAOYSA-N 1 2 275.352 1.095 20 30 CDEDLO COCC[N@@H+](CC(=O)N(C)C)Cc1ccc(C#N)cc1 ZINC000051920578 538355816 /nfs/dbraw/zinc/35/58/16/538355816.db2.gz IWHYVYAKQGYPJA-UHFFFAOYSA-N 1 2 275.352 1.095 20 30 CDEDLO CC(C)C[C@@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000726559596 574500423 /nfs/dbraw/zinc/50/04/23/574500423.db2.gz LOGLQNONWILKAO-ZDUSSCGKSA-N 1 2 283.335 1.935 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]Nc1ccc(F)cc1C ZINC000750939138 574622599 /nfs/dbraw/zinc/62/25/99/574622599.db2.gz VPUGHBZZMXVWOH-UHFFFAOYSA-N 1 2 275.287 1.961 20 30 CDEDLO C=CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)C(C)C ZINC000729623612 574818302 /nfs/dbraw/zinc/81/83/02/574818302.db2.gz MLWSMSXKNMCMBG-UONOGXRCSA-N 1 2 283.416 1.702 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C)s1 ZINC000730097719 574849189 /nfs/dbraw/zinc/84/91/89/574849189.db2.gz IGICBXFBYWYOPF-ZDUSSCGKSA-N 1 2 262.378 1.770 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C)s1 ZINC000730097719 574849192 /nfs/dbraw/zinc/84/91/92/574849192.db2.gz IGICBXFBYWYOPF-ZDUSSCGKSA-N 1 2 262.378 1.770 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C(C)C)[nH]n1 ZINC000730281470 574909068 /nfs/dbraw/zinc/90/90/68/574909068.db2.gz XHSVRTCIHJBKIY-LBPRGKRZSA-N 1 2 260.341 1.569 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C(C)C)[nH]n1 ZINC000730281470 574909070 /nfs/dbraw/zinc/90/90/70/574909070.db2.gz XHSVRTCIHJBKIY-LBPRGKRZSA-N 1 2 260.341 1.569 20 30 CDEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000732987659 575099740 /nfs/dbraw/zinc/09/97/40/575099740.db2.gz YPKGXEMMCKCKPS-ZDUSSCGKSA-N 1 2 279.290 1.741 20 30 CDEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000732987659 575099741 /nfs/dbraw/zinc/09/97/41/575099741.db2.gz YPKGXEMMCKCKPS-ZDUSSCGKSA-N 1 2 279.290 1.741 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000733123628 575101823 /nfs/dbraw/zinc/10/18/23/575101823.db2.gz WQKVYCGFXZQNHM-ZDUSSCGKSA-N 1 2 273.292 1.631 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000733123628 575101824 /nfs/dbraw/zinc/10/18/24/575101824.db2.gz WQKVYCGFXZQNHM-ZDUSSCGKSA-N 1 2 273.292 1.631 20 30 CDEDLO CCn1cc[nH+]c1CN=Nc1ccc([N+](=O)[O-])cn1 ZINC000755647984 575409337 /nfs/dbraw/zinc/40/93/37/575409337.db2.gz BVEJNUOVRABVFB-UHFFFAOYSA-N 1 2 260.257 1.652 20 30 CDEDLO N#Cc1cccc(OCC(=O)OCCn2cc[nH+]c2)c1 ZINC000771924968 575637214 /nfs/dbraw/zinc/63/72/14/575637214.db2.gz CHYNXXVVHPTVGI-UHFFFAOYSA-N 1 2 271.276 1.377 20 30 CDEDLO C#C[C@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)[C@H]1CCCO1 ZINC000772892981 575765585 /nfs/dbraw/zinc/76/55/85/575765585.db2.gz PGGSGMZRJVLIAC-LSDHHAIUSA-N 1 2 297.358 1.482 20 30 CDEDLO C#CCCCCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000773303114 575799492 /nfs/dbraw/zinc/79/94/92/575799492.db2.gz RSBKYEBTPKFKSR-ZDUSSCGKSA-N 1 2 252.358 1.017 20 30 CDEDLO C#CCCCCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000773303114 575799494 /nfs/dbraw/zinc/79/94/94/575799494.db2.gz RSBKYEBTPKFKSR-ZDUSSCGKSA-N 1 2 252.358 1.017 20 30 CDEDLO Oc1ccccc1/C=N/CC1([NH+]2CCOCC2)CC1 ZINC000765970365 576067411 /nfs/dbraw/zinc/06/74/11/576067411.db2.gz KRESETOPLIXOHE-LFIBNONCSA-N 1 2 260.337 1.676 20 30 CDEDLO C=CCOCCCC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767559318 576205030 /nfs/dbraw/zinc/20/50/30/576205030.db2.gz OOWFHINYKKXMBT-OKILXGFUSA-N 1 2 283.368 1.376 20 30 CDEDLO C=CCOCCCC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767559318 576205033 /nfs/dbraw/zinc/20/50/33/576205033.db2.gz OOWFHINYKKXMBT-OKILXGFUSA-N 1 2 283.368 1.376 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)[C@H](F)c2ccccc2)CC1 ZINC000769374819 576350402 /nfs/dbraw/zinc/35/04/02/576350402.db2.gz WSJZLJXEBKVFNP-OAHLLOKOSA-N 1 2 274.339 1.865 20 30 CDEDLO C#CCOCCOC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000761012107 576534657 /nfs/dbraw/zinc/53/46/57/576534657.db2.gz SKXNVMQGGGLKRT-CQSZACIVSA-N 1 2 287.359 1.626 20 30 CDEDLO C#CCOCCOC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000761012107 576534658 /nfs/dbraw/zinc/53/46/58/576534658.db2.gz SKXNVMQGGGLKRT-CQSZACIVSA-N 1 2 287.359 1.626 20 30 CDEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)c1ccncc1 ZINC000761840068 576596780 /nfs/dbraw/zinc/59/67/80/576596780.db2.gz XIJSRLFYJVAEDX-UHFFFAOYSA-N 1 2 279.307 1.893 20 30 CDEDLO C#CCCCNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000743690487 576650832 /nfs/dbraw/zinc/65/08/32/576650832.db2.gz CGCAMQZTNKPWSB-UHFFFAOYSA-N 1 2 260.341 1.360 20 30 CDEDLO CC#CCOC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000745102914 576716379 /nfs/dbraw/zinc/71/63/79/576716379.db2.gz UPQYZLVMBJVUJP-INIZCTEOSA-N 1 2 287.359 1.844 20 30 CDEDLO CC#CCOC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000745102914 576716380 /nfs/dbraw/zinc/71/63/80/576716380.db2.gz UPQYZLVMBJVUJP-INIZCTEOSA-N 1 2 287.359 1.844 20 30 CDEDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2ccc(C#N)cc2F)C1 ZINC000748456367 576913091 /nfs/dbraw/zinc/91/30/91/576913091.db2.gz AMHFEBMYFFLZCE-AWEZNQCLSA-N 1 2 292.310 1.461 20 30 CDEDLO CC[N@H+]1CCO[C@H](C(=O)OCc2ccc(C#N)cc2F)C1 ZINC000748456367 576913092 /nfs/dbraw/zinc/91/30/92/576913092.db2.gz AMHFEBMYFFLZCE-AWEZNQCLSA-N 1 2 292.310 1.461 20 30 CDEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2ccc(C#N)cc2F)C1 ZINC000748456368 576913262 /nfs/dbraw/zinc/91/32/62/576913262.db2.gz AMHFEBMYFFLZCE-CQSZACIVSA-N 1 2 292.310 1.461 20 30 CDEDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2ccc(C#N)cc2F)C1 ZINC000748456368 576913264 /nfs/dbraw/zinc/91/32/64/576913264.db2.gz AMHFEBMYFFLZCE-CQSZACIVSA-N 1 2 292.310 1.461 20 30 CDEDLO C[C@H]([NH2+]CC(=O)NCCC#N)c1nc(C(C)(C)C)no1 ZINC000755068923 576929024 /nfs/dbraw/zinc/92/90/24/576929024.db2.gz WZNJLGWHHXOHBT-VIFPVBQESA-N 1 2 279.344 1.048 20 30 CDEDLO C=CC[N@@H+](C[C@H]1CC1(Cl)Cl)[C@H]1CCS(=O)(=O)C1 ZINC000749297803 576942545 /nfs/dbraw/zinc/94/25/45/576942545.db2.gz NCWYLVJANUFIDI-ZJUUUORDSA-N 1 2 298.235 1.855 20 30 CDEDLO C=CC[N@H+](C[C@H]1CC1(Cl)Cl)[C@H]1CCS(=O)(=O)C1 ZINC000749297803 576942546 /nfs/dbraw/zinc/94/25/46/576942546.db2.gz NCWYLVJANUFIDI-ZJUUUORDSA-N 1 2 298.235 1.855 20 30 CDEDLO Cn1c[nH+]cc1C=NNC(=S)NCCc1cccs1 ZINC000755628831 576952711 /nfs/dbraw/zinc/95/27/11/576952711.db2.gz MYXHUNMNUORVAM-UHFFFAOYSA-N 1 2 293.421 1.522 20 30 CDEDLO CCn1cc[nH+]c1CN=Nc1nccnc1Cl ZINC000755717545 576957186 /nfs/dbraw/zinc/95/71/86/576957186.db2.gz PPOWBMHMJHUEML-UHFFFAOYSA-N 1 2 250.693 1.792 20 30 CDEDLO Cc1[nH]c[nH+]c1C=NNS(=O)(=O)CCc1ccccc1 ZINC000755753962 576959225 /nfs/dbraw/zinc/95/92/25/576959225.db2.gz OPRFHTZRGYAZJT-UHFFFAOYSA-N 1 2 292.364 1.214 20 30 CDEDLO Cc1cccn2c(CN=Nc3nccn(C)c3=O)c[nH+]c12 ZINC000755756071 576959241 /nfs/dbraw/zinc/95/92/41/576959241.db2.gz QBNKNSFXHBKUCR-UHFFFAOYSA-N 1 2 282.307 1.182 20 30 CDEDLO C#CCNC(=O)c1ccccc1NC(=O)CCn1cc[nH+]c1 ZINC000751371421 577036447 /nfs/dbraw/zinc/03/64/47/577036447.db2.gz MMNHOBFUBOHEQR-UHFFFAOYSA-N 1 2 296.330 1.275 20 30 CDEDLO Cc1cc([C@H]2CCC[N@@H+]2Cn2cccc(C#N)c2=O)on1 ZINC000758198378 577080759 /nfs/dbraw/zinc/08/07/59/577080759.db2.gz UNPRCQSKIAKSQS-CYBMUJFWSA-N 1 2 284.319 1.811 20 30 CDEDLO Cc1cc([C@H]2CCC[N@H+]2Cn2cccc(C#N)c2=O)on1 ZINC000758198378 577080761 /nfs/dbraw/zinc/08/07/61/577080761.db2.gz UNPRCQSKIAKSQS-CYBMUJFWSA-N 1 2 284.319 1.811 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2occc2Cl)CC1 ZINC000950088765 613011104 /nfs/dbraw/zinc/01/11/04/613011104.db2.gz OMRIOTNSOAATLL-UHFFFAOYSA-N 1 2 266.728 1.714 20 30 CDEDLO C=C(C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccn(C)n2)C1 ZINC001690040346 1175355766 /nfs/dbraw/zinc/35/57/66/1175355766.db2.gz VYMYQMCSYGZVMQ-AWEZNQCLSA-N 1 2 290.411 1.857 20 30 CDEDLO C=C(C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccn(C)n2)C1 ZINC001690040346 1175355772 /nfs/dbraw/zinc/35/57/72/1175355772.db2.gz VYMYQMCSYGZVMQ-AWEZNQCLSA-N 1 2 290.411 1.857 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(C)nc(C)n2)C1 ZINC000956953739 612991739 /nfs/dbraw/zinc/99/17/39/612991739.db2.gz XNAKVBSKNGKUMM-UHFFFAOYSA-N 1 2 286.379 1.263 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccncc2CC)C1 ZINC000950688003 612992506 /nfs/dbraw/zinc/99/25/06/612992506.db2.gz ZMLYOVXUHOLRFT-UHFFFAOYSA-N 1 2 285.391 1.814 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+](CCF)CC[C@@H]2C)cn1 ZINC000968560575 613191946 /nfs/dbraw/zinc/19/19/46/613191946.db2.gz DIGSGZGMYLEHFZ-WFASDCNBSA-N 1 2 289.354 1.473 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@H+](CCF)CC[C@@H]2C)cn1 ZINC000968560575 613191947 /nfs/dbraw/zinc/19/19/47/613191947.db2.gz DIGSGZGMYLEHFZ-WFASDCNBSA-N 1 2 289.354 1.473 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC3(C)CC3)C2)C1 ZINC000972470619 613210977 /nfs/dbraw/zinc/21/09/77/613210977.db2.gz XELNDUWVVSDEMZ-INIZCTEOSA-N 1 2 276.380 1.113 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC3(C)CC3)C2)C1 ZINC000972470619 613210978 /nfs/dbraw/zinc/21/09/78/613210978.db2.gz XELNDUWVVSDEMZ-INIZCTEOSA-N 1 2 276.380 1.113 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(CC)CC3)C2)C1 ZINC000972541107 613211272 /nfs/dbraw/zinc/21/12/72/613211272.db2.gz XDJVNHFQTBCVDG-INIZCTEOSA-N 1 2 276.380 1.113 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(CC)CC3)C2)C1 ZINC000972541107 613211275 /nfs/dbraw/zinc/21/12/75/613211275.db2.gz XDJVNHFQTBCVDG-INIZCTEOSA-N 1 2 276.380 1.113 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC34CCC4)C2)C1 ZINC000972577769 613212507 /nfs/dbraw/zinc/21/25/07/613212507.db2.gz NUAKTNMHFDQSAU-WMLDXEAASA-N 1 2 288.391 1.113 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC34CCC4)C2)C1 ZINC000972577769 613212510 /nfs/dbraw/zinc/21/25/10/613212510.db2.gz NUAKTNMHFDQSAU-WMLDXEAASA-N 1 2 288.391 1.113 20 30 CDEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc[nH]c1 ZINC000948919608 613280084 /nfs/dbraw/zinc/28/00/84/613280084.db2.gz LXELMDWODOGFBX-KRWDZBQOSA-N 1 2 293.370 1.977 20 30 CDEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc[nH]c1 ZINC000948919608 613280085 /nfs/dbraw/zinc/28/00/85/613280085.db2.gz LXELMDWODOGFBX-KRWDZBQOSA-N 1 2 293.370 1.977 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnn3ccncc23)CC1 ZINC000948779360 613321800 /nfs/dbraw/zinc/32/18/00/613321800.db2.gz RBHMYCRFOOHXQL-UHFFFAOYSA-N 1 2 285.351 1.063 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC000968258007 613324924 /nfs/dbraw/zinc/32/49/24/613324924.db2.gz XXBLZSNEOPBITI-PWSUYJOCSA-N 1 2 280.347 1.565 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC000968258007 613324926 /nfs/dbraw/zinc/32/49/26/613324926.db2.gz XXBLZSNEOPBITI-PWSUYJOCSA-N 1 2 280.347 1.565 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccccn2)C1 ZINC000969199008 613371819 /nfs/dbraw/zinc/37/18/19/613371819.db2.gz LGHHSCDFLIRTGY-LLVKDONJSA-N 1 2 279.771 1.884 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnn(C)c2C)C1 ZINC000969313104 613372650 /nfs/dbraw/zinc/37/26/50/613372650.db2.gz FTMUVDGHZYLWPK-JTQLQIEISA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cc2cscn2)CC1 ZINC000982095642 613373303 /nfs/dbraw/zinc/37/33/03/613373303.db2.gz CKUDTKFMIHNZON-UHFFFAOYSA-N 1 2 299.827 1.972 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cc2cscn2)CC1 ZINC000982095642 613373304 /nfs/dbraw/zinc/37/33/04/613373304.db2.gz CKUDTKFMIHNZON-UHFFFAOYSA-N 1 2 299.827 1.972 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2nnc[nH]2)C[C@@H]1C ZINC000947821340 613377179 /nfs/dbraw/zinc/37/71/79/613377179.db2.gz TVHNOKBDZCDDOF-VHSXEESVSA-N 1 2 283.763 1.140 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2nnc[nH]2)C[C@@H]1C ZINC000947821340 613377180 /nfs/dbraw/zinc/37/71/80/613377180.db2.gz TVHNOKBDZCDDOF-VHSXEESVSA-N 1 2 283.763 1.140 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC000949662792 613433757 /nfs/dbraw/zinc/43/37/57/613433757.db2.gz DDPBWAMWVJNUDN-UHFFFAOYSA-N 1 2 276.384 1.277 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(F)=C(C)C)C2)C1 ZINC000972339978 613570827 /nfs/dbraw/zinc/57/08/27/613570827.db2.gz STLNZXBNQFHANR-MRXNPFEDSA-N 1 2 294.370 1.576 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(F)=C(C)C)C2)C1 ZINC000972339978 613570828 /nfs/dbraw/zinc/57/08/28/613570828.db2.gz STLNZXBNQFHANR-MRXNPFEDSA-N 1 2 294.370 1.576 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC3(C)C)C2)C1 ZINC000972349232 613571183 /nfs/dbraw/zinc/57/11/83/613571183.db2.gz WQIGEWRGOULKJO-WMLDXEAASA-N 1 2 290.407 1.359 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC3(C)C)C2)C1 ZINC000972349232 613571186 /nfs/dbraw/zinc/57/11/86/613571186.db2.gz WQIGEWRGOULKJO-WMLDXEAASA-N 1 2 290.407 1.359 20 30 CDEDLO O=C(NCC#C[C@@H]1CCCCO1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000891113388 617364663 /nfs/dbraw/zinc/36/46/63/617364663.db2.gz XMVVBLJHBVDITI-YNEHKIRRSA-N 1 2 273.336 1.202 20 30 CDEDLO O=C(NCC#C[C@@H]1CCCCO1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000891113388 617364665 /nfs/dbraw/zinc/36/46/65/617364665.db2.gz XMVVBLJHBVDITI-YNEHKIRRSA-N 1 2 273.336 1.202 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)Cc2c(C)noc2C)CC1 ZINC000951385084 613709843 /nfs/dbraw/zinc/70/98/43/613709843.db2.gz PTONPPORKWGQHC-LBPRGKRZSA-N 1 2 291.395 1.800 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(-n3cnnc3)cc2)CC1 ZINC000951742893 613715432 /nfs/dbraw/zinc/71/54/32/613715432.db2.gz UIXDOWZCPNHMSF-UHFFFAOYSA-N 1 2 297.362 1.211 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc(CC)n2)CC1 ZINC000948788209 613716772 /nfs/dbraw/zinc/71/67/72/613716772.db2.gz BZPSZKQEGLMCAV-UHFFFAOYSA-N 1 2 259.353 1.588 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnn(C(C)C)c2C)CC1 ZINC000957278810 613718198 /nfs/dbraw/zinc/71/81/98/613718198.db2.gz CURASYZYVWHUOB-UHFFFAOYSA-N 1 2 276.384 1.716 20 30 CDEDLO CC(C)c1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC000967941946 614334728 /nfs/dbraw/zinc/33/47/28/614334728.db2.gz BBMQTLDATRFWMD-WDEREUQCSA-N 1 2 291.355 1.043 20 30 CDEDLO C[N@@H+](Cc1csc(C#N)c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000892097181 617478193 /nfs/dbraw/zinc/47/81/93/617478193.db2.gz UBEOUUJLOKQZEI-JTQLQIEISA-N 1 2 284.406 1.486 20 30 CDEDLO C[N@H+](Cc1csc(C#N)c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000892097181 617478197 /nfs/dbraw/zinc/47/81/97/617478197.db2.gz UBEOUUJLOKQZEI-JTQLQIEISA-N 1 2 284.406 1.486 20 30 CDEDLO CNc1cc(N2CCN(c3ccccc3C#N)CC2)nc[nH+]1 ZINC000892245595 617576587 /nfs/dbraw/zinc/57/65/87/617576587.db2.gz DHBLNHHYHHSKGT-UHFFFAOYSA-N 1 2 294.362 1.717 20 30 CDEDLO CNc1cc(N2CCN(c3ccccc3C#N)CC2)[nH+]cn1 ZINC000892245595 617576590 /nfs/dbraw/zinc/57/65/90/617576590.db2.gz DHBLNHHYHHSKGT-UHFFFAOYSA-N 1 2 294.362 1.717 20 30 CDEDLO C#CC1(O)CN(Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000934448162 617593176 /nfs/dbraw/zinc/59/31/76/617593176.db2.gz IAFGIVGYMNIHNU-UHFFFAOYSA-N 1 2 267.332 1.361 20 30 CDEDLO CC[C@H](CO)Nc1cc(NCCCCC#N)[nH+]cn1 ZINC000892328832 617836860 /nfs/dbraw/zinc/83/68/60/617836860.db2.gz WYXORHQIXOVOIF-LLVKDONJSA-N 1 2 263.345 1.765 20 30 CDEDLO CC[C@H](CO)Nc1cc(NCCCCC#N)nc[nH+]1 ZINC000892328832 617836863 /nfs/dbraw/zinc/83/68/63/617836863.db2.gz WYXORHQIXOVOIF-LLVKDONJSA-N 1 2 263.345 1.765 20 30 CDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](C#N)C1 ZINC000932150581 617949726 /nfs/dbraw/zinc/94/97/26/617949726.db2.gz CWLGWZDZAXZNEU-HIFRSBDPSA-N 1 2 285.347 1.534 20 30 CDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](C#N)C1 ZINC000932150581 617949739 /nfs/dbraw/zinc/94/97/39/617949739.db2.gz CWLGWZDZAXZNEU-HIFRSBDPSA-N 1 2 285.347 1.534 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2csc(C#N)c2)[C@@H](C(N)=O)C1 ZINC000893715121 617951792 /nfs/dbraw/zinc/95/17/92/617951792.db2.gz CHLHYNSAWUHUTL-BXKDBHETSA-N 1 2 263.366 1.706 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2csc(C#N)c2)[C@@H](C(N)=O)C1 ZINC000893715121 617951803 /nfs/dbraw/zinc/95/18/03/617951803.db2.gz CHLHYNSAWUHUTL-BXKDBHETSA-N 1 2 263.366 1.706 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCc2ncc(C)cc21 ZINC000888143387 620769192 /nfs/dbraw/zinc/76/91/92/620769192.db2.gz TYRCVXCWBWEWCU-AWEZNQCLSA-N 1 2 269.348 1.377 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCc2ncc(C)cc21 ZINC000888143387 620769199 /nfs/dbraw/zinc/76/91/99/620769199.db2.gz TYRCVXCWBWEWCU-AWEZNQCLSA-N 1 2 269.348 1.377 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910783724 618480997 /nfs/dbraw/zinc/48/09/97/618480997.db2.gz JONUMUYZYQLYBM-ZDUSSCGKSA-N 1 2 269.348 1.633 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910783724 618481002 /nfs/dbraw/zinc/48/10/02/618481002.db2.gz JONUMUYZYQLYBM-ZDUSSCGKSA-N 1 2 269.348 1.633 20 30 CDEDLO Cc1cccn2cc(CC(=O)N3CCC[C@@H](C#N)C3)[nH+]c12 ZINC000928227231 618585479 /nfs/dbraw/zinc/58/54/79/618585479.db2.gz ZTCBBKLLICSAIT-ZDUSSCGKSA-N 1 2 282.347 1.947 20 30 CDEDLO CC[C@@H](CO)Nc1cc(N2CCC[C@H](CC#N)C2)nc[nH+]1 ZINC000894487148 618914673 /nfs/dbraw/zinc/91/46/73/618914673.db2.gz PCECFZQAHMHDEY-OLZOCXBDSA-N 1 2 289.383 1.789 20 30 CDEDLO CC[C@@H](CO)Nc1cc(N2CCC[C@H](CC#N)C2)[nH+]cn1 ZINC000894487148 618914674 /nfs/dbraw/zinc/91/46/74/618914674.db2.gz PCECFZQAHMHDEY-OLZOCXBDSA-N 1 2 289.383 1.789 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cnn(C)c2C2CC2)nn1 ZINC000895006578 619190101 /nfs/dbraw/zinc/19/01/01/619190101.db2.gz RTUCBNVGGHUMKU-UHFFFAOYSA-N 1 2 272.356 1.365 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2ccncc2Cl)CCCN1O ZINC000895158387 619375119 /nfs/dbraw/zinc/37/51/19/619375119.db2.gz ZNDYDHDIPFBBAS-JTQLQIEISA-N 1 2 255.705 1.205 20 30 CDEDLO Cn1cc(C[NH+]2CCN(CCC#N)CC2)c(C2CC2)n1 ZINC000895846048 619871012 /nfs/dbraw/zinc/87/10/12/619871012.db2.gz SMYGDMYSFDMYAB-UHFFFAOYSA-N 1 2 273.384 1.329 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928643437 620298759 /nfs/dbraw/zinc/29/87/59/620298759.db2.gz CSIBALWVRJDWEI-UKRRQHHQSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898502350 621777974 /nfs/dbraw/zinc/77/79/74/621777974.db2.gz DILXEBGFUBLWQK-UPJWGTAASA-N 1 2 270.348 1.128 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898502350 621777981 /nfs/dbraw/zinc/77/79/81/621777981.db2.gz DILXEBGFUBLWQK-UPJWGTAASA-N 1 2 270.348 1.128 20 30 CDEDLO C/C(=C\C(=O)Nc1cccc(C#N)c1)C[NH+]1CCOCC1 ZINC000899933767 622552542 /nfs/dbraw/zinc/55/25/42/622552542.db2.gz VDLVHNURCIFIJO-UKTHLTGXSA-N 1 2 285.347 1.775 20 30 CDEDLO C#CC[N@H+](CN1CCN(Cc2cccnc2)C1=O)C(C)C ZINC000905748610 626945128 /nfs/dbraw/zinc/94/51/28/626945128.db2.gz KVBOYHXBKZVFCL-UHFFFAOYSA-N 1 2 286.379 1.620 20 30 CDEDLO C#CC[N@@H+](CN1CCN(Cc2cccnc2)C1=O)C(C)C ZINC000905748610 626945130 /nfs/dbraw/zinc/94/51/30/626945130.db2.gz KVBOYHXBKZVFCL-UHFFFAOYSA-N 1 2 286.379 1.620 20 30 CDEDLO C=CCCC(=O)[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC000908648389 628313988 /nfs/dbraw/zinc/31/39/88/628313988.db2.gz BESOYKYFGJUMDK-ZDUSSCGKSA-N 1 2 275.352 1.800 20 30 CDEDLO Cc1cc(C)c(C(=O)N2CC[C@@](O)(CC#N)C2)c(C)[nH+]1 ZINC000911527163 629317095 /nfs/dbraw/zinc/31/70/95/629317095.db2.gz YHDBYCXSJUFVPA-HNNXBMFYSA-N 1 2 273.336 1.498 20 30 CDEDLO C[C@@H](O[NH+]=C(N)c1ccccc1)C(=O)NCC(F)(F)F ZINC000028785044 629775683 /nfs/dbraw/zinc/77/56/83/629775683.db2.gz IZIBNKCIKZVISP-MRVPVSSYSA-N 1 2 289.257 1.391 20 30 CDEDLO C#CCCCCC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800193547 632043429 /nfs/dbraw/zinc/04/34/29/632043429.db2.gz SXNLXAZAHDPUSF-ZDUSSCGKSA-N 1 2 253.342 1.444 20 30 CDEDLO C#CCCCCC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800193547 632043447 /nfs/dbraw/zinc/04/34/47/632043447.db2.gz SXNLXAZAHDPUSF-ZDUSSCGKSA-N 1 2 253.342 1.444 20 30 CDEDLO CCOC(=O)[C@@H](C#N)Nc1ccc2[nH+]cn(C)c2c1 ZINC001170373060 1162351128 /nfs/dbraw/zinc/35/11/28/1162351128.db2.gz GGNSWPJMNCNHGL-LLVKDONJSA-N 1 2 258.281 1.440 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCOC)CC[C@H]1C ZINC001131734839 1163020627 /nfs/dbraw/zinc/02/06/27/1163020627.db2.gz LYPZHLPOGFDHTD-VXGBXAGGSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCOC)CC[C@H]1C ZINC001131734839 1163020635 /nfs/dbraw/zinc/02/06/35/1163020635.db2.gz LYPZHLPOGFDHTD-VXGBXAGGSA-N 1 2 274.792 1.745 20 30 CDEDLO Cc1nc(N(C)C[C@@H](C)NC(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001108911334 1162023962 /nfs/dbraw/zinc/02/39/62/1162023962.db2.gz HFKQUBBOALDQLZ-SNVBAGLBSA-N 1 2 298.350 1.240 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001133380483 1163664172 /nfs/dbraw/zinc/66/41/72/1163664172.db2.gz HEULIJFDNKBOHN-QMTHXVAHSA-N 1 2 280.372 1.747 20 30 CDEDLO C[N@H+](CCCn1cc[nH+]c1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001606125770 1163781486 /nfs/dbraw/zinc/78/14/86/1163781486.db2.gz RSILHQOMKMQGTQ-HNNXBMFYSA-N 1 2 298.346 1.903 20 30 CDEDLO C[N@@H+](CCCn1cc[nH+]c1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001606125770 1163781493 /nfs/dbraw/zinc/78/14/93/1163781493.db2.gz RSILHQOMKMQGTQ-HNNXBMFYSA-N 1 2 298.346 1.903 20 30 CDEDLO C#CCC[C@H](O)CNc1nc(NC)c2ccccc2[nH+]1 ZINC000828081510 1165469726 /nfs/dbraw/zinc/46/97/26/1165469726.db2.gz YYDWYCSZOKHOHI-NSHDSACASA-N 1 2 270.336 1.858 20 30 CDEDLO C=C(C)CN1CC2(C[NH+](CCCCC#N)C2)OCC1=O ZINC001274043286 1166569320 /nfs/dbraw/zinc/56/93/20/1166569320.db2.gz PFNBGUSZBLYPGB-UHFFFAOYSA-N 1 2 277.368 1.170 20 30 CDEDLO N#Cc1nccc(N[C@@H](Cn2cc[nH+]c2)c2ccccc2)n1 ZINC001640325940 1167013795 /nfs/dbraw/zinc/01/37/95/1167013795.db2.gz GIZSJEPYZOIORD-AWEZNQCLSA-N 1 2 290.330 1.820 20 30 CDEDLO CN(C(=O)CCNc1cc(CC#N)cc[nH+]1)C1CC1 ZINC001155150515 1167099527 /nfs/dbraw/zinc/09/95/27/1167099527.db2.gz UWQBZCOYDYGOTB-UHFFFAOYSA-N 1 2 258.325 1.570 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)Nc1nc2cc(C#N)ccc2[nH]1 ZINC001648094179 1169095675 /nfs/dbraw/zinc/09/56/75/1169095675.db2.gz GDMQKIILUPMJAR-UHFFFAOYSA-N 1 2 294.318 1.739 20 30 CDEDLO N#Cc1cccc(-c2nn[nH]n2)c1NCc1ccc[nH+]c1N ZINC001592699742 1173974258 /nfs/dbraw/zinc/97/42/58/1173974258.db2.gz KNVSRPXREJQOEX-UHFFFAOYSA-N 1 2 292.306 1.328 20 30 CDEDLO C=C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C(=O)[O-] ZINC001602815642 1175415008 /nfs/dbraw/zinc/41/50/08/1175415008.db2.gz BMOPQBQUNUTGMP-SWLSCSKDSA-N 1 2 289.379 1.836 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC12CC2 ZINC001698997574 1176030008 /nfs/dbraw/zinc/03/00/08/1176030008.db2.gz RTWBKGYWLASDCH-LLVKDONJSA-N 1 2 256.777 1.929 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H]1CC12CC2 ZINC001698997574 1176030013 /nfs/dbraw/zinc/03/00/13/1176030013.db2.gz RTWBKGYWLASDCH-LLVKDONJSA-N 1 2 256.777 1.929 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H](C)OC)C1CC1 ZINC001713554059 1178642372 /nfs/dbraw/zinc/64/23/72/1178642372.db2.gz HQANGVDIXVQNTJ-SNVBAGLBSA-N 1 2 260.765 1.354 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H](C)OC)C1CC1 ZINC001713554059 1178642373 /nfs/dbraw/zinc/64/23/73/1178642373.db2.gz HQANGVDIXVQNTJ-SNVBAGLBSA-N 1 2 260.765 1.354 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000242895469 1180504029 /nfs/dbraw/zinc/50/40/29/1180504029.db2.gz GOMHXOBMPGNPMN-UHFFFAOYSA-N 1 2 270.336 1.894 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccns2)C1 ZINC001753317416 1185152279 /nfs/dbraw/zinc/15/22/79/1185152279.db2.gz NKSDOSBJYRIJQJ-GFCCVEGCSA-N 1 2 277.393 1.703 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccns2)C1 ZINC001753317416 1185152283 /nfs/dbraw/zinc/15/22/83/1185152283.db2.gz NKSDOSBJYRIJQJ-GFCCVEGCSA-N 1 2 277.393 1.703 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)CCCC(=O)N(CC)CC)C1 ZINC001753389906 1185181091 /nfs/dbraw/zinc/18/10/91/1185181091.db2.gz QWDOLVLTTYPXCO-UHFFFAOYSA-N 1 2 295.427 1.402 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001753646655 1185285534 /nfs/dbraw/zinc/28/55/34/1185285534.db2.gz VGRBPMBCIACRJE-ZIAGYGMSSA-N 1 2 264.369 1.346 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001753646655 1185285538 /nfs/dbraw/zinc/28/55/38/1185285538.db2.gz VGRBPMBCIACRJE-ZIAGYGMSSA-N 1 2 264.369 1.346 20 30 CDEDLO CC(C)C#CC(=O)N[C@@H](C)C[NH2+]Cc1nc(C(C)C)no1 ZINC001754266260 1185540920 /nfs/dbraw/zinc/54/09/20/1185540920.db2.gz NALYXWVVHDMZKJ-LBPRGKRZSA-N 1 2 292.383 1.447 20 30 CDEDLO CC[C@H](F)C[N@@H+]1CC[C@H]1CNC(=O)CSCC#N ZINC001754473415 1185624250 /nfs/dbraw/zinc/62/42/50/1185624250.db2.gz JXXGOUWOYNDYMG-QWRGUYRKSA-N 1 2 273.377 1.182 20 30 CDEDLO CC[C@H](F)C[N@H+]1CC[C@H]1CNC(=O)CSCC#N ZINC001754473415 1185624255 /nfs/dbraw/zinc/62/42/55/1185624255.db2.gz JXXGOUWOYNDYMG-QWRGUYRKSA-N 1 2 273.377 1.182 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)[C@H]1CCCCO1 ZINC001754482488 1185637417 /nfs/dbraw/zinc/63/74/17/1185637417.db2.gz OUFFVDRBXYQDSE-LSDHHAIUSA-N 1 2 292.423 1.796 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)C(C)(C)[C@H]1CCCCO1 ZINC001754482488 1185637422 /nfs/dbraw/zinc/63/74/22/1185637422.db2.gz OUFFVDRBXYQDSE-LSDHHAIUSA-N 1 2 292.423 1.796 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CC(C)(C)C=C)CO2 ZINC001755061142 1185803717 /nfs/dbraw/zinc/80/37/17/1185803717.db2.gz GLYSQTMNPUOIED-CQSZACIVSA-N 1 2 290.407 1.572 20 30 CDEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@@]2(C)CCC[C@@H]2C)C1 ZINC001755336245 1185923323 /nfs/dbraw/zinc/92/33/23/1185923323.db2.gz MAUOKLADABEBSH-HOCLYGCPSA-N 1 2 294.439 1.942 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC(C)=C(C)C)C2)C1 ZINC001755401031 1185940659 /nfs/dbraw/zinc/94/06/59/1185940659.db2.gz DJAFFRBNGASEHZ-QGZVFWFLSA-N 1 2 290.407 1.669 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CC(C)=C(C)C)C2)C1 ZINC001755401031 1185940663 /nfs/dbraw/zinc/94/06/63/1185940663.db2.gz DJAFFRBNGASEHZ-QGZVFWFLSA-N 1 2 290.407 1.669 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(CCC)CC3)C2)C1 ZINC001755402391 1185940671 /nfs/dbraw/zinc/94/06/71/1185940671.db2.gz RPTURQLVHFHXLS-KRWDZBQOSA-N 1 2 290.407 1.503 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(CCC)CC3)C2)C1 ZINC001755402391 1185940674 /nfs/dbraw/zinc/94/06/74/1185940674.db2.gz RPTURQLVHFHXLS-KRWDZBQOSA-N 1 2 290.407 1.503 20 30 CDEDLO N#CC1(c2ccccc2)CC([NH2+]Cc2nnnn2C2CC2)C1 ZINC001771677953 1186829822 /nfs/dbraw/zinc/82/98/22/1186829822.db2.gz FGZFWLLOVQQGDZ-UHFFFAOYSA-N 1 2 294.362 1.722 20 30 CDEDLO C=C(C)C[C@@H](CO)Nc1nc(N)c2ccccc2[nH+]1 ZINC000883006421 837386489 /nfs/dbraw/zinc/38/64/89/837386489.db2.gz RINUTNACDPCUOR-JTQLQIEISA-N 1 2 258.325 1.951 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2ncc(Cl)s2)C1 ZINC001033897490 837875871 /nfs/dbraw/zinc/87/58/71/837875871.db2.gz OYYFERDMVQFYHI-JTQLQIEISA-N 1 2 297.811 1.966 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ncc(Cl)s2)C1 ZINC001033897490 837875876 /nfs/dbraw/zinc/87/58/76/837875876.db2.gz OYYFERDMVQFYHI-JTQLQIEISA-N 1 2 297.811 1.966 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnc3cc[nH]c3c2)C1 ZINC001043037275 837449166 /nfs/dbraw/zinc/44/91/66/837449166.db2.gz FFGJUHSFMRZACG-UHFFFAOYSA-N 1 2 284.363 1.895 20 30 CDEDLO C#CCCS(=O)(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000289092707 837607011 /nfs/dbraw/zinc/60/70/11/837607011.db2.gz GWZXXYDGUIFYRZ-UHFFFAOYSA-N 1 2 292.404 1.156 20 30 CDEDLO C#CCCS(=O)(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000289092707 837607042 /nfs/dbraw/zinc/60/70/42/837607042.db2.gz GWZXXYDGUIFYRZ-UHFFFAOYSA-N 1 2 292.404 1.156 20 30 CDEDLO C#CC[N@H+]1CC[C@@](C)(NC(=O)c2scnc2Cl)C1 ZINC001046843419 837764199 /nfs/dbraw/zinc/76/41/99/837764199.db2.gz WJLYRYIQBYXVLB-GFCCVEGCSA-N 1 2 283.784 1.624 20 30 CDEDLO C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2scnc2Cl)C1 ZINC001046843419 837764214 /nfs/dbraw/zinc/76/42/14/837764214.db2.gz WJLYRYIQBYXVLB-GFCCVEGCSA-N 1 2 283.784 1.624 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(cc[nH]c2=O)c1 ZINC000855454164 837768600 /nfs/dbraw/zinc/76/86/00/837768600.db2.gz SSIFECAIZLYQCL-HNNXBMFYSA-N 1 2 295.342 1.564 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(cc[nH]c2=O)c1 ZINC000855454164 837768602 /nfs/dbraw/zinc/76/86/02/837768602.db2.gz SSIFECAIZLYQCL-HNNXBMFYSA-N 1 2 295.342 1.564 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Cc1ccccc1 ZINC001032795706 837812119 /nfs/dbraw/zinc/81/21/19/837812119.db2.gz ODZNDHDVQAUTKT-XIRDDKMYSA-N 1 2 282.387 1.784 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Cc1ccccc1 ZINC001032795706 837812122 /nfs/dbraw/zinc/81/21/22/837812122.db2.gz ODZNDHDVQAUTKT-XIRDDKMYSA-N 1 2 282.387 1.784 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)no1 ZINC001017350031 837816444 /nfs/dbraw/zinc/81/64/44/837816444.db2.gz WBTXFBKROQLKJU-TXEJJXNPSA-N 1 2 261.325 1.458 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)no1 ZINC001017350031 837816451 /nfs/dbraw/zinc/81/64/51/837816451.db2.gz WBTXFBKROQLKJU-TXEJJXNPSA-N 1 2 261.325 1.458 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001050903124 837820732 /nfs/dbraw/zinc/82/07/32/837820732.db2.gz LYPSKDRJCZUCTR-SRVKXCTJSA-N 1 2 288.338 1.281 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001050903124 837820742 /nfs/dbraw/zinc/82/07/42/837820742.db2.gz LYPSKDRJCZUCTR-SRVKXCTJSA-N 1 2 288.338 1.281 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn(C)c2C2CC2)C1 ZINC001031479942 837827987 /nfs/dbraw/zinc/82/79/87/837827987.db2.gz ZAYYFXVTGZVTFB-UHFFFAOYSA-N 1 2 274.368 1.288 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ocnc1C1CC1 ZINC001038697357 835766103 /nfs/dbraw/zinc/76/61/03/835766103.db2.gz ODWKTJHGVIIOAV-GFCCVEGCSA-N 1 2 273.336 1.379 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ocnc1C1CC1 ZINC001038697357 835766110 /nfs/dbraw/zinc/76/61/10/835766110.db2.gz ODWKTJHGVIIOAV-GFCCVEGCSA-N 1 2 273.336 1.379 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1conc1C ZINC001028110942 835791626 /nfs/dbraw/zinc/79/16/26/835791626.db2.gz IFYOCMPMVNUTRO-NSHDSACASA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1conc1C ZINC001028110942 835791633 /nfs/dbraw/zinc/79/16/33/835791633.db2.gz IFYOCMPMVNUTRO-NSHDSACASA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccc(CC)cn2)C1 ZINC001030980920 835809719 /nfs/dbraw/zinc/80/97/19/835809719.db2.gz CRUXICZZRPSIAT-UHFFFAOYSA-N 1 2 273.380 1.563 20 30 CDEDLO C[C@H](O)c1ncc(C[NH+]2CCC(C#N)CC2)s1 ZINC000809558315 835816126 /nfs/dbraw/zinc/81/61/26/835816126.db2.gz YDUIRKSPURBTNR-VIFPVBQESA-N 1 2 251.355 1.932 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]nc1C1CC1 ZINC001018133901 835823924 /nfs/dbraw/zinc/82/39/24/835823924.db2.gz CGVVMLMWYHDXSH-BETUJISGSA-N 1 2 284.363 1.209 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]nc1C1CC1 ZINC001018133901 835823925 /nfs/dbraw/zinc/82/39/25/835823925.db2.gz CGVVMLMWYHDXSH-BETUJISGSA-N 1 2 284.363 1.209 20 30 CDEDLO C=C[C@](C)(O)c1cn(Cc2ccc(N(C)C)[nH+]c2)nn1 ZINC000881381094 835852425 /nfs/dbraw/zinc/85/24/25/835852425.db2.gz PCXYPUHMRFRKJE-AWEZNQCLSA-N 1 2 273.340 1.181 20 30 CDEDLO CCCCCNC(=O)CO[NH+]=C(N)c1ccccc1 ZINC000075677459 835853400 /nfs/dbraw/zinc/85/34/00/835853400.db2.gz QGDSLORXVPAZNK-UHFFFAOYSA-N 1 2 263.341 1.630 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C2CC2)CCC1 ZINC001032543073 835859564 /nfs/dbraw/zinc/85/95/64/835859564.db2.gz GIYYBCGRVUCSRI-GJZGRUSLSA-N 1 2 272.392 1.875 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C2CC2)CCC1 ZINC001032543073 835859569 /nfs/dbraw/zinc/85/95/69/835859569.db2.gz GIYYBCGRVUCSRI-GJZGRUSLSA-N 1 2 272.392 1.875 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CC(C)C)CCO2 ZINC001053129693 835862276 /nfs/dbraw/zinc/86/22/76/835862276.db2.gz JSLZZBALXYZNQA-UHFFFAOYSA-N 1 2 266.385 1.522 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)c2ccc(F)cc2)nn1 ZINC000849148910 835877590 /nfs/dbraw/zinc/87/75/90/835877590.db2.gz YEOAPBNFFFIJOG-HNNXBMFYSA-N 1 2 288.326 1.264 20 30 CDEDLO COC(=O)[C@H]1C[N@H+](Cc2cccc(C#N)c2F)CCCO1 ZINC001249691568 1167414501 /nfs/dbraw/zinc/41/45/01/1167414501.db2.gz PAGQACWRUVYQOL-CYBMUJFWSA-N 1 2 292.310 1.461 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+](Cc2cccc(C#N)c2F)CCCO1 ZINC001249691568 1167414505 /nfs/dbraw/zinc/41/45/05/1167414505.db2.gz PAGQACWRUVYQOL-CYBMUJFWSA-N 1 2 292.310 1.461 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(F)cn1 ZINC001017672919 836023379 /nfs/dbraw/zinc/02/33/79/836023379.db2.gz RLCNQQAAWPZUBI-GASCZTMLSA-N 1 2 287.338 1.072 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(F)cn1 ZINC001017672919 836023401 /nfs/dbraw/zinc/02/34/01/836023401.db2.gz RLCNQQAAWPZUBI-GASCZTMLSA-N 1 2 287.338 1.072 20 30 CDEDLO CC(C)CN(CCC#N)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000313803228 836038367 /nfs/dbraw/zinc/03/83/67/836038367.db2.gz OGNKUTSEUWUSGA-GJZGRUSLSA-N 1 2 267.417 1.967 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C2CC2)on1 ZINC001038576334 836042083 /nfs/dbraw/zinc/04/20/83/836042083.db2.gz UVYVITUAVBEPAO-LLVKDONJSA-N 1 2 261.325 1.542 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C2CC2)on1 ZINC001038576334 836042094 /nfs/dbraw/zinc/04/20/94/836042094.db2.gz UVYVITUAVBEPAO-LLVKDONJSA-N 1 2 261.325 1.542 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1[C@@H]3CCC[C@@H]31)CO2 ZINC001053769961 836054925 /nfs/dbraw/zinc/05/49/25/836054925.db2.gz KTFHSYSKXHJHQK-KBXIAJHMSA-N 1 2 290.407 1.568 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ncoc1CC ZINC001038125880 836064400 /nfs/dbraw/zinc/06/44/00/836064400.db2.gz BBHFEXQYCXHBKE-NSHDSACASA-N 1 2 261.325 1.064 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncoc1CC ZINC001038125880 836064404 /nfs/dbraw/zinc/06/44/04/836064404.db2.gz BBHFEXQYCXHBKE-NSHDSACASA-N 1 2 261.325 1.064 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](Nc2nnc(C(F)F)s2)C1 ZINC000884611421 836122908 /nfs/dbraw/zinc/12/29/08/836122908.db2.gz MDHMUZAOWKVEDI-MRVPVSSYSA-N 1 2 272.324 1.985 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](Nc2nnc(C(F)F)s2)C1 ZINC000884611421 836122911 /nfs/dbraw/zinc/12/29/11/836122911.db2.gz MDHMUZAOWKVEDI-MRVPVSSYSA-N 1 2 272.324 1.985 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000859151333 836126401 /nfs/dbraw/zinc/12/64/01/836126401.db2.gz ARSKZJJVCYMOHR-HNNXBMFYSA-N 1 2 276.311 1.954 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000859151333 836126402 /nfs/dbraw/zinc/12/64/02/836126402.db2.gz ARSKZJJVCYMOHR-HNNXBMFYSA-N 1 2 276.311 1.954 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC001007299958 836132016 /nfs/dbraw/zinc/13/20/16/836132016.db2.gz SIPJXWIPNMSJRL-ZJUUUORDSA-N 1 2 278.730 1.975 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC001007299958 836132020 /nfs/dbraw/zinc/13/20/20/836132020.db2.gz SIPJXWIPNMSJRL-ZJUUUORDSA-N 1 2 278.730 1.975 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000808769016 836176837 /nfs/dbraw/zinc/17/68/37/836176837.db2.gz GKFSNLNOAUWLEZ-NSHDSACASA-N 1 2 292.832 1.533 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000808769016 836176845 /nfs/dbraw/zinc/17/68/45/836176845.db2.gz GKFSNLNOAUWLEZ-NSHDSACASA-N 1 2 292.832 1.533 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c(F)cccc1F ZINC001032593893 836262429 /nfs/dbraw/zinc/26/24/29/836262429.db2.gz AMUZAZQLIAKFES-RYUDHWBXSA-N 1 2 290.313 1.426 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c(F)cccc1F ZINC001032593893 836262448 /nfs/dbraw/zinc/26/24/48/836262448.db2.gz AMUZAZQLIAKFES-RYUDHWBXSA-N 1 2 290.313 1.426 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(C)c1 ZINC001032683763 836366128 /nfs/dbraw/zinc/36/61/28/836366128.db2.gz PUFWOBQRCLDTOT-KBPBESRZSA-N 1 2 274.389 1.979 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(C)c1 ZINC001032683763 836366139 /nfs/dbraw/zinc/36/61/39/836366139.db2.gz PUFWOBQRCLDTOT-KBPBESRZSA-N 1 2 274.389 1.979 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2snnc2CC)[C@H]1C ZINC000993556099 836371539 /nfs/dbraw/zinc/37/15/39/836371539.db2.gz LOSCTOLDIXICIS-ZYHUDNBSSA-N 1 2 292.408 1.316 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2snnc2CC)[C@H]1C ZINC000993556099 836371553 /nfs/dbraw/zinc/37/15/53/836371553.db2.gz LOSCTOLDIXICIS-ZYHUDNBSSA-N 1 2 292.408 1.316 20 30 CDEDLO C#CCCCCCC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000784908184 836416358 /nfs/dbraw/zinc/41/63/58/836416358.db2.gz XDMLEOBFAOHDGM-AWEZNQCLSA-N 1 2 267.369 1.834 20 30 CDEDLO N#CC1(NC(=O)C[NH+]2CCC(F)(F)CC2)CCC1 ZINC000796540989 836436273 /nfs/dbraw/zinc/43/62/73/836436273.db2.gz MRMHVVFRQPYKOT-UHFFFAOYSA-N 1 2 257.284 1.280 20 30 CDEDLO CN1CCC[C@@H](O[NH+]=C(N)c2ccc(F)cc2)C1=O ZINC000778589712 836436487 /nfs/dbraw/zinc/43/64/87/836436487.db2.gz QXWAIJLDDPXIMT-LLVKDONJSA-N 1 2 265.288 1.083 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CC(C)(C)C)CCO2 ZINC001053159444 836469927 /nfs/dbraw/zinc/46/99/27/836469927.db2.gz UQPSBISWOXSLJG-UHFFFAOYSA-N 1 2 280.412 1.912 20 30 CDEDLO C=C(Br)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845302840 836483552 /nfs/dbraw/zinc/48/35/52/836483552.db2.gz YFYKLMRFXNXDMR-SECBINFHSA-N 1 2 272.146 1.859 20 30 CDEDLO C#CC1(O)CN(Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000934446602 836500897 /nfs/dbraw/zinc/50/08/97/836500897.db2.gz KTSFLSYFGDELQA-UHFFFAOYSA-N 1 2 253.305 1.052 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc(CC)n[nH]2)C1 ZINC001031551841 836567995 /nfs/dbraw/zinc/56/79/95/836567995.db2.gz BKEOKRFYQHESFW-UHFFFAOYSA-N 1 2 282.775 1.386 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2oc(C)nc2c1 ZINC001038386820 836581547 /nfs/dbraw/zinc/58/15/47/836581547.db2.gz QWKALBQZRJDCBR-CQSZACIVSA-N 1 2 297.358 1.964 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2oc(C)nc2c1 ZINC001038386820 836581585 /nfs/dbraw/zinc/58/15/85/836581585.db2.gz QWKALBQZRJDCBR-CQSZACIVSA-N 1 2 297.358 1.964 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC001038049856 836683222 /nfs/dbraw/zinc/68/32/22/836683222.db2.gz BIOHGKHQORTFPL-LLVKDONJSA-N 1 2 265.744 1.496 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC001038049856 836683248 /nfs/dbraw/zinc/68/32/48/836683248.db2.gz BIOHGKHQORTFPL-LLVKDONJSA-N 1 2 265.744 1.496 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H](OC)C1 ZINC001017863830 836741522 /nfs/dbraw/zinc/74/15/22/836741522.db2.gz INHPMMNOFMYVHK-CAOSSQGBSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H](OC)C1 ZINC001017863830 836741550 /nfs/dbraw/zinc/74/15/50/836741550.db2.gz INHPMMNOFMYVHK-CAOSSQGBSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C(F)F)CCC1 ZINC001032584507 836818113 /nfs/dbraw/zinc/81/81/13/836818113.db2.gz BDTGAUHQWCKZLP-QWRGUYRKSA-N 1 2 268.307 1.340 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C(F)F)CCC1 ZINC001032584507 836818120 /nfs/dbraw/zinc/81/81/20/836818120.db2.gz BDTGAUHQWCKZLP-QWRGUYRKSA-N 1 2 268.307 1.340 20 30 CDEDLO Cn1c(CC#N)nn(C[N@@H+]2CC[C@@H](C3CC3)C2)c1=S ZINC000794636522 836851323 /nfs/dbraw/zinc/85/13/23/836851323.db2.gz JLKZGDJVNZDIJL-LLVKDONJSA-N 1 2 277.397 1.707 20 30 CDEDLO Cn1c(CC#N)nn(C[N@H+]2CC[C@@H](C3CC3)C2)c1=S ZINC000794636522 836851327 /nfs/dbraw/zinc/85/13/27/836851327.db2.gz JLKZGDJVNZDIJL-LLVKDONJSA-N 1 2 277.397 1.707 20 30 CDEDLO C=CC[N@@H+](CCC#N)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000793559477 836858998 /nfs/dbraw/zinc/85/89/98/836858998.db2.gz BDIXAXWHHZLJFK-AWEZNQCLSA-N 1 2 274.320 1.720 20 30 CDEDLO C=CC[N@H+](CCC#N)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000793559477 836859002 /nfs/dbraw/zinc/85/90/02/836859002.db2.gz BDIXAXWHHZLJFK-AWEZNQCLSA-N 1 2 274.320 1.720 20 30 CDEDLO C=CCOc1cccnc1C(=O)NC1C[NH+](CCC)C1 ZINC001031231846 836863755 /nfs/dbraw/zinc/86/37/55/836863755.db2.gz NOFISKNRRGPJBD-UHFFFAOYSA-N 1 2 275.352 1.470 20 30 CDEDLO CCC[N@H+](CC)Cn1nc(CC#N)n(C)c1=S ZINC000794622462 836889262 /nfs/dbraw/zinc/88/92/62/836889262.db2.gz AXLQWDWXJUZBHJ-UHFFFAOYSA-N 1 2 253.375 1.707 20 30 CDEDLO CCC[N@@H+](CC)Cn1nc(CC#N)n(C)c1=S ZINC000794622462 836889263 /nfs/dbraw/zinc/88/92/63/836889263.db2.gz AXLQWDWXJUZBHJ-UHFFFAOYSA-N 1 2 253.375 1.707 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccnc(C)c2)C1 ZINC001044073469 836927526 /nfs/dbraw/zinc/92/75/26/836927526.db2.gz LOMRUMPFFTXBSV-UHFFFAOYSA-N 1 2 257.337 1.170 20 30 CDEDLO C=C(C)C[C@H](CO)Nc1nc(N)c2ccccc2[nH+]1 ZINC000883006422 836941166 /nfs/dbraw/zinc/94/11/66/836941166.db2.gz RINUTNACDPCUOR-SNVBAGLBSA-N 1 2 258.325 1.951 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000980847419 836987681 /nfs/dbraw/zinc/98/76/81/836987681.db2.gz AXNUTXIGUKTBLC-AWEZNQCLSA-N 1 2 296.374 1.752 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000980847419 836987690 /nfs/dbraw/zinc/98/76/90/836987690.db2.gz AXNUTXIGUKTBLC-AWEZNQCLSA-N 1 2 296.374 1.752 20 30 CDEDLO C[C@@H]([NH2+][C@H]1CC(=O)N(CC2CC2)C1)c1cccc(C#N)c1O ZINC000883396931 837024793 /nfs/dbraw/zinc/02/47/93/837024793.db2.gz ZVXFDICMQYJWMR-RISCZKNCSA-N 1 2 299.374 1.925 20 30 CDEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001015969118 837047476 /nfs/dbraw/zinc/04/74/76/837047476.db2.gz 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/nfs/dbraw/zinc/33/72/77/837337277.db2.gz VIHJSNTWUYTHRO-CZUORRHYSA-N 1 2 275.348 1.280 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc[nH]3)C[C@@H]21 ZINC001074160580 837362841 /nfs/dbraw/zinc/36/28/41/837362841.db2.gz UOFKOZONDZYGFO-LSDHHAIUSA-N 1 2 289.379 1.506 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc[nH]3)C[C@@H]21 ZINC001074160580 837362851 /nfs/dbraw/zinc/36/28/51/837362851.db2.gz UOFKOZONDZYGFO-LSDHHAIUSA-N 1 2 289.379 1.506 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnc(C)o1 ZINC001017614094 837837665 /nfs/dbraw/zinc/83/76/65/837837665.db2.gz JIUHPWXYKLGJHL-OKILXGFUSA-N 1 2 287.363 1.224 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnc(C)o1 ZINC001017614094 837837666 /nfs/dbraw/zinc/83/76/66/837837666.db2.gz JIUHPWXYKLGJHL-OKILXGFUSA-N 1 2 287.363 1.224 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]cnc1CC ZINC001028290293 837868918 /nfs/dbraw/zinc/86/89/18/837868918.db2.gz QTHGIEGPVBHKST-LLVKDONJSA-N 1 2 296.802 1.919 20 30 CDEDLO 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262.284 1.646 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC3(C2)OCCO3)cc1F ZINC000192100697 837929723 /nfs/dbraw/zinc/92/97/23/837929723.db2.gz GSPCIYWQDZOYOW-UHFFFAOYSA-N 1 2 262.284 1.646 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001033169806 837975622 /nfs/dbraw/zinc/97/56/22/837975622.db2.gz REQXJMVORAUKDP-SNVBAGLBSA-N 1 2 298.774 1.323 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001033169806 837975640 /nfs/dbraw/zinc/97/56/40/837975640.db2.gz REQXJMVORAUKDP-SNVBAGLBSA-N 1 2 298.774 1.323 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)nc1 ZINC001038073291 838003108 /nfs/dbraw/zinc/00/31/08/838003108.db2.gz WRIFVSYBWBDKEZ-CQSZACIVSA-N 1 2 257.337 1.217 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)nc1 ZINC001038073291 838003120 /nfs/dbraw/zinc/00/31/20/838003120.db2.gz WRIFVSYBWBDKEZ-CQSZACIVSA-N 1 2 257.337 1.217 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cnccc2C)C1 ZINC001030463888 838011044 /nfs/dbraw/zinc/01/10/44/838011044.db2.gz 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/nfs/dbraw/zinc/09/67/77/838096777.db2.gz WBDIKZPMTUGNPU-CQSZACIVSA-N 1 2 287.363 1.308 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2cccnn21 ZINC001038785791 838104836 /nfs/dbraw/zinc/10/48/36/838104836.db2.gz KPIXGTLQYGTYEN-AWEZNQCLSA-N 1 2 282.347 1.162 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2cccnn21 ZINC001038785791 838104851 /nfs/dbraw/zinc/10/48/51/838104851.db2.gz KPIXGTLQYGTYEN-AWEZNQCLSA-N 1 2 282.347 1.162 20 30 CDEDLO C[C@@H](C#N)OCC[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000801909898 838206977 /nfs/dbraw/zinc/20/69/77/838206977.db2.gz HRYDIVTUCXHQJQ-AWEZNQCLSA-N 1 2 294.399 1.139 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001035318803 838741481 /nfs/dbraw/zinc/74/14/81/838741481.db2.gz HYMQQBYGSYWFJW-MQYQWHSLSA-N 1 2 264.369 1.036 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001035318803 838741515 /nfs/dbraw/zinc/74/15/15/838741515.db2.gz HYMQQBYGSYWFJW-MQYQWHSLSA-N 1 2 264.369 1.036 20 30 CDEDLO C=CCN(C)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000803349045 838742881 /nfs/dbraw/zinc/74/28/81/838742881.db2.gz UUCZYKJVIBEHAX-UHFFFAOYSA-N 1 2 298.346 1.133 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCCC1(F)F ZINC001032588780 838797590 /nfs/dbraw/zinc/79/75/90/838797590.db2.gz UKSGFVOCVQOUNS-AVGNSLFASA-N 1 2 282.334 1.730 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCCC1(F)F ZINC001032588780 838797609 /nfs/dbraw/zinc/79/76/09/838797609.db2.gz UKSGFVOCVQOUNS-AVGNSLFASA-N 1 2 282.334 1.730 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccon2)C1 ZINC001033756756 838817813 /nfs/dbraw/zinc/81/78/13/838817813.db2.gz OFMRXLNXFOHIME-NSHDSACASA-N 1 2 283.759 1.964 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccon2)C1 ZINC001033756756 838817816 /nfs/dbraw/zinc/81/78/16/838817816.db2.gz OFMRXLNXFOHIME-NSHDSACASA-N 1 2 283.759 1.964 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)C)n[nH]1 ZINC001038728626 838852598 /nfs/dbraw/zinc/85/25/98/838852598.db2.gz 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/nfs/dbraw/zinc/91/02/80/838910280.db2.gz HDTQDIAZBDFVJF-KBPBESRZSA-N 1 2 280.368 1.723 20 30 CDEDLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C#N)C2CCCCC2)C1 ZINC000805468542 838910304 /nfs/dbraw/zinc/91/03/04/838910304.db2.gz HDTQDIAZBDFVJF-KBPBESRZSA-N 1 2 280.368 1.723 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2[nH]nnc2C)[C@H]1C ZINC000993677159 838926445 /nfs/dbraw/zinc/92/64/45/838926445.db2.gz YIPMUOSZJDSOAB-GHMZBOCLSA-N 1 2 297.790 1.448 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2[nH]nnc2C)[C@H]1C ZINC000993677159 838926451 /nfs/dbraw/zinc/92/64/51/838926451.db2.gz YIPMUOSZJDSOAB-GHMZBOCLSA-N 1 2 297.790 1.448 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1-c1ccoc1 ZINC001038547070 839003241 /nfs/dbraw/zinc/00/32/41/839003241.db2.gz UNXYLTPRXDCXDB-LBPRGKRZSA-N 1 2 284.319 1.107 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1-c1ccoc1 ZINC001038547070 839003246 /nfs/dbraw/zinc/00/32/46/839003246.db2.gz UNXYLTPRXDCXDB-LBPRGKRZSA-N 1 2 284.319 1.107 20 30 CDEDLO C#CC[C@H](CCOC)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000827723217 839014609 /nfs/dbraw/zinc/01/46/09/839014609.db2.gz HUCRGSCBMDOQFS-GFCCVEGCSA-N 1 2 271.320 1.721 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cnccn2)CC1 ZINC001000395953 839035641 /nfs/dbraw/zinc/03/56/41/839035641.db2.gz SNLCEPKSXJITOR-UHFFFAOYSA-N 1 2 292.770 1.591 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cnccn2)CC1 ZINC001000395953 839035653 /nfs/dbraw/zinc/03/56/53/839035653.db2.gz SNLCEPKSXJITOR-UHFFFAOYSA-N 1 2 292.770 1.591 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc3nsnc32)C1 ZINC001031185963 839072430 /nfs/dbraw/zinc/07/24/30/839072430.db2.gz BFSFLRAKYQCLLK-UHFFFAOYSA-N 1 2 288.376 1.681 20 30 CDEDLO C#CCOCCNc1c(C(=O)OCC)c[nH+]c2ccccc21 ZINC000784239578 839072793 /nfs/dbraw/zinc/07/27/93/839072793.db2.gz MXUFEAXSYXTPQP-UHFFFAOYSA-N 1 2 298.342 1.895 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C3CCC3)C[C@H]21 ZINC001074133953 839076895 /nfs/dbraw/zinc/07/68/95/839076895.db2.gz UPXDNRXKPBJGGV-CABCVRRESA-N 1 2 278.396 1.664 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3CCC3)C[C@H]21 ZINC001074133953 839076898 /nfs/dbraw/zinc/07/68/98/839076898.db2.gz UPXDNRXKPBJGGV-CABCVRRESA-N 1 2 278.396 1.664 20 30 CDEDLO CCn1ncc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)n1 ZINC000839062785 839082214 /nfs/dbraw/zinc/08/22/14/839082214.db2.gz FYJRYFFMEAEQTC-OAHLLOKOSA-N 1 2 267.336 1.947 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)cc1OC ZINC001038931048 839134090 /nfs/dbraw/zinc/13/40/90/839134090.db2.gz GGFUZCQFTWFLSF-AWEZNQCLSA-N 1 2 286.375 1.831 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)cc1OC ZINC001038931048 839134097 /nfs/dbraw/zinc/13/40/97/839134097.db2.gz GGFUZCQFTWFLSF-AWEZNQCLSA-N 1 2 286.375 1.831 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(F)nc2)C1=O ZINC000798957164 839140427 /nfs/dbraw/zinc/14/04/27/839140427.db2.gz XCPUIRXYPUXOMG-GFCCVEGCSA-N 1 2 263.316 1.439 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(F)nc2)C1=O ZINC000798957164 839140444 /nfs/dbraw/zinc/14/04/44/839140444.db2.gz XCPUIRXYPUXOMG-GFCCVEGCSA-N 1 2 263.316 1.439 20 30 CDEDLO COc1ccc(C(N)=[NH+]O[C@H](C(=O)N(C)C)C(C)C)cc1 ZINC000820706757 839171521 /nfs/dbraw/zinc/17/15/21/839171521.db2.gz UOHTYMQONXKHCI-ZDUSSCGKSA-N 1 2 293.367 1.445 20 30 CDEDLO S=C(NN=C1CC[N@H+](Cc2ccccc2)C1)NC1CC1 ZINC000839394834 839187044 /nfs/dbraw/zinc/18/70/44/839187044.db2.gz YJVDYBSVHABKKX-UHFFFAOYSA-N 1 2 288.420 1.875 20 30 CDEDLO S=C(NN=C1CC[N@@H+](Cc2ccccc2)C1)NC1CC1 ZINC000839394834 839187059 /nfs/dbraw/zinc/18/70/59/839187059.db2.gz YJVDYBSVHABKKX-UHFFFAOYSA-N 1 2 288.420 1.875 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccnn3C)cc2C1 ZINC001054258521 839215528 /nfs/dbraw/zinc/21/55/28/839215528.db2.gz SCMOWQYNQJPDSC-UHFFFAOYSA-N 1 2 294.358 1.299 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccnn3C)cc2C1 ZINC001054258521 839215548 /nfs/dbraw/zinc/21/55/48/839215548.db2.gz SCMOWQYNQJPDSC-UHFFFAOYSA-N 1 2 294.358 1.299 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(F)c1F ZINC001032642094 839368300 /nfs/dbraw/zinc/36/83/00/839368300.db2.gz XMSVGDIJMMZRNM-RYUDHWBXSA-N 1 2 290.313 1.805 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(F)c1F ZINC001032642094 839368309 /nfs/dbraw/zinc/36/83/09/839368309.db2.gz XMSVGDIJMMZRNM-RYUDHWBXSA-N 1 2 290.313 1.805 20 30 CDEDLO C#CCNC(=O)C[NH2+][C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000791642463 839372707 /nfs/dbraw/zinc/37/27/07/839372707.db2.gz XUBWRFCAYDCXCY-SFHVURJKSA-N 1 2 293.370 1.818 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)C2(c3cc(C)no3)CC2)C1 ZINC001043628721 839448320 /nfs/dbraw/zinc/44/83/20/839448320.db2.gz MFOKWGOEIFMFCA-UHFFFAOYSA-N 1 2 287.363 1.181 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)NCCC#N)Cc2ccccc2O1 ZINC000795430366 839625931 /nfs/dbraw/zinc/62/59/31/839625931.db2.gz JRCBWXRYJQRGGH-GFCCVEGCSA-N 1 2 273.336 1.299 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)NCCC#N)Cc2ccccc2O1 ZINC000795430366 839625942 /nfs/dbraw/zinc/62/59/42/839625942.db2.gz JRCBWXRYJQRGGH-GFCCVEGCSA-N 1 2 273.336 1.299 20 30 CDEDLO CN(C)c1ncc(C=[NH+]Nc2ccnc(Cl)c2)n1C ZINC000853395336 839697961 /nfs/dbraw/zinc/69/79/61/839697961.db2.gz UEDYQCKHUPHOHO-UHFFFAOYSA-N 1 2 278.747 1.981 20 30 CDEDLO CC(C)n1c[nH+]cc1CN=Nc1nccn(C)c1=O ZINC000819808814 839757083 /nfs/dbraw/zinc/75/70/83/839757083.db2.gz UOUHEIFHIPYTKD-UHFFFAOYSA-N 1 2 260.301 1.004 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1occc1C)CO2 ZINC001053740253 839774148 /nfs/dbraw/zinc/77/41/48/839774148.db2.gz FWZIKIFGQLRSRG-ZDUSSCGKSA-N 1 2 290.363 1.737 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001010499669 839800962 /nfs/dbraw/zinc/80/09/62/839800962.db2.gz UMZLPVJGNLEEPP-NSHDSACASA-N 1 2 281.743 1.344 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001010499669 839800971 /nfs/dbraw/zinc/80/09/71/839800971.db2.gz UMZLPVJGNLEEPP-NSHDSACASA-N 1 2 281.743 1.344 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cc(C)[nH]c1=O ZINC001017779762 839826512 /nfs/dbraw/zinc/82/65/12/839826512.db2.gz BHBSGJXIYFGRFY-OKILXGFUSA-N 1 2 299.374 1.326 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cc(C)[nH]c1=O ZINC001017779762 839826520 /nfs/dbraw/zinc/82/65/20/839826520.db2.gz BHBSGJXIYFGRFY-OKILXGFUSA-N 1 2 299.374 1.326 20 30 CDEDLO C#Cc1ccccc1CC(=O)NC1C[NH+](CC=C)C1 ZINC001031312220 839883011 /nfs/dbraw/zinc/88/30/11/839883011.db2.gz GBWRNRYSIAHYCQ-UHFFFAOYSA-N 1 2 254.333 1.197 20 30 CDEDLO C[C@H](C#N)OCC[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000801909327 839884795 /nfs/dbraw/zinc/88/47/95/839884795.db2.gz BOZCKMLPFATFHT-CQSZACIVSA-N 1 2 287.363 1.373 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)n(C(C)C)n1 ZINC001039097024 839889590 /nfs/dbraw/zinc/88/95/90/839889590.db2.gz MWCNHZCPOYUVCU-ZDUSSCGKSA-N 1 2 274.368 1.210 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)n(C(C)C)n1 ZINC001039097024 839889595 /nfs/dbraw/zinc/88/95/95/839889595.db2.gz MWCNHZCPOYUVCU-ZDUSSCGKSA-N 1 2 274.368 1.210 20 30 CDEDLO CC[C@@H](F)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(C#N)c1 ZINC001032364843 839913538 /nfs/dbraw/zinc/91/35/38/839913538.db2.gz UOKRQUIKTNJZKJ-XBFCOCLRSA-N 1 2 290.342 1.533 20 30 CDEDLO CC[C@@H](F)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(C#N)c1 ZINC001032364843 839913556 /nfs/dbraw/zinc/91/35/56/839913556.db2.gz UOKRQUIKTNJZKJ-XBFCOCLRSA-N 1 2 290.342 1.533 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1scnc1C ZINC001038083019 839935188 /nfs/dbraw/zinc/93/51/88/839935188.db2.gz NZTGADUOZVRYAR-JTQLQIEISA-N 1 2 251.355 1.442 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1scnc1C ZINC001038083019 839935199 /nfs/dbraw/zinc/93/51/99/839935199.db2.gz NZTGADUOZVRYAR-JTQLQIEISA-N 1 2 251.355 1.442 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccnc(OC)c2)C1 ZINC001030592655 839983651 /nfs/dbraw/zinc/98/36/51/839983651.db2.gz IXKPMIBJOIJVLK-UHFFFAOYSA-N 1 2 261.325 1.080 20 30 CDEDLO C=CCn1cccc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#CC ZINC001032447711 840000983 /nfs/dbraw/zinc/00/09/83/840000983.db2.gz VBHSXXJTYQSGHP-GJZGRUSLSA-N 1 2 283.375 1.596 20 30 CDEDLO C=CCn1cccc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#CC ZINC001032447711 840000996 /nfs/dbraw/zinc/00/09/96/840000996.db2.gz VBHSXXJTYQSGHP-GJZGRUSLSA-N 1 2 283.375 1.596 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2O)C1 ZINC001035292237 840007447 /nfs/dbraw/zinc/00/74/47/840007447.db2.gz BKHOBTNTGGFMAE-LBPRGKRZSA-N 1 2 276.336 1.009 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2O)C1 ZINC001035292237 840007456 /nfs/dbraw/zinc/00/74/56/840007456.db2.gz BKHOBTNTGGFMAE-LBPRGKRZSA-N 1 2 276.336 1.009 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1nccc2[nH]ccc21 ZINC001038714131 840085553 /nfs/dbraw/zinc/08/55/53/840085553.db2.gz WMWGLBMECZNJCU-NSHDSACASA-N 1 2 268.320 1.000 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1nccc2[nH]ccc21 ZINC001038714131 840085567 /nfs/dbraw/zinc/08/55/67/840085567.db2.gz WMWGLBMECZNJCU-NSHDSACASA-N 1 2 268.320 1.000 20 30 CDEDLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001029180376 840202200 /nfs/dbraw/zinc/20/22/00/840202200.db2.gz LRSOONAABZRWIX-GASCZTMLSA-N 1 2 287.338 1.892 20 30 CDEDLO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001029180376 840202205 /nfs/dbraw/zinc/20/22/05/840202205.db2.gz LRSOONAABZRWIX-GASCZTMLSA-N 1 2 287.338 1.892 20 30 CDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C(F)F)cc1 ZINC001032238971 840213683 /nfs/dbraw/zinc/21/36/83/840213683.db2.gz NUSZQEFPAGKOQL-STQMWFEESA-N 1 2 291.301 1.608 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C(F)F)cc1 ZINC001032238971 840213695 /nfs/dbraw/zinc/21/36/95/840213695.db2.gz NUSZQEFPAGKOQL-STQMWFEESA-N 1 2 291.301 1.608 20 30 CDEDLO CCC(C#N)(CC)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000860197423 840294549 /nfs/dbraw/zinc/29/45/49/840294549.db2.gz CBHVANOYNAMGNT-BETUJISGSA-N 1 2 280.368 1.723 20 30 CDEDLO CCC(C#N)(CC)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000860197423 840294565 /nfs/dbraw/zinc/29/45/65/840294565.db2.gz CBHVANOYNAMGNT-BETUJISGSA-N 1 2 280.368 1.723 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)CC2CC(F)(F)C2)C1 ZINC001030544897 840373243 /nfs/dbraw/zinc/37/32/43/840373243.db2.gz 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/nfs/dbraw/zinc/52/11/45/840521145.db2.gz CSERIYHSNBZJTL-NSHDSACASA-N 1 2 283.335 1.015 20 30 CDEDLO Cc1cnc(C[N@@H+]2CCCN(C(=O)C#CC3CC3)CC2)cn1 ZINC000981125887 840547329 /nfs/dbraw/zinc/54/73/29/840547329.db2.gz KLAHOPJIHAMUJB-UHFFFAOYSA-N 1 2 298.390 1.233 20 30 CDEDLO Cc1cnc(C[N@H+]2CCCN(C(=O)C#CC3CC3)CC2)cn1 ZINC000981125887 840547350 /nfs/dbraw/zinc/54/73/50/840547350.db2.gz KLAHOPJIHAMUJB-UHFFFAOYSA-N 1 2 298.390 1.233 20 30 CDEDLO C#CCCCS(=O)(=O)Nc1c[nH+]ccc1N1CCCC1 ZINC000842812041 840586133 /nfs/dbraw/zinc/58/61/33/840586133.db2.gz CVHZLATWNMGAPQ-UHFFFAOYSA-N 1 2 293.392 1.837 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CCC(C)CC1 ZINC000856474990 840655883 /nfs/dbraw/zinc/65/58/83/840655883.db2.gz RASMQPOBTJVWFY-BBBYJDLNSA-N 1 2 278.396 1.141 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CCC(C)CC1 ZINC000856474990 840655893 /nfs/dbraw/zinc/65/58/93/840655893.db2.gz RASMQPOBTJVWFY-BBBYJDLNSA-N 1 2 278.396 1.141 20 30 CDEDLO C#C[C@H]1CCCN(c2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000848750003 840686242 /nfs/dbraw/zinc/68/62/42/840686242.db2.gz OLZLVSGPPKZMSG-ZDUSSCGKSA-N 1 2 288.420 1.879 20 30 CDEDLO C#C[C@H]1CCCN(c2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000848750003 840686281 /nfs/dbraw/zinc/68/62/81/840686281.db2.gz OLZLVSGPPKZMSG-ZDUSSCGKSA-N 1 2 288.420 1.879 20 30 CDEDLO CN(C)c1ncc(C=[NH+]Nc2cccc([N+](=O)[O-])c2)n1C ZINC000811629679 840696094 /nfs/dbraw/zinc/69/60/94/840696094.db2.gz AZHGJNCDDZJOPB-UHFFFAOYSA-N 1 2 288.311 1.840 20 30 CDEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2[nH]nc3c2C[C@@H](C)CC3)C1 ZINC001015926655 840704552 /nfs/dbraw/zinc/70/45/52/840704552.db2.gz URRWUTCSOGTFPQ-RYUDHWBXSA-N 1 2 288.395 1.525 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3c2C[C@@H](C)CC3)C1 ZINC001015926655 840704564 /nfs/dbraw/zinc/70/45/64/840704564.db2.gz URRWUTCSOGTFPQ-RYUDHWBXSA-N 1 2 288.395 1.525 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1F ZINC001032698250 840812255 /nfs/dbraw/zinc/81/22/55/840812255.db2.gz BYZZRJRQGUBGMM-RYUDHWBXSA-N 1 2 273.311 1.143 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1F ZINC001032698250 840812257 /nfs/dbraw/zinc/81/22/57/840812257.db2.gz BYZZRJRQGUBGMM-RYUDHWBXSA-N 1 2 273.311 1.143 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1occc1C)O2 ZINC001053572529 840831503 /nfs/dbraw/zinc/83/15/03/840831503.db2.gz SIERJAXGJVSFJB-CYBMUJFWSA-N 1 2 290.363 1.737 20 30 CDEDLO Cc1ccc(NC(=O)c2cccc(C#N)n2)c(N(C)C)[nH+]1 ZINC000813083178 840838270 /nfs/dbraw/zinc/83/82/70/840838270.db2.gz JYTJJDJUPFOXJS-UHFFFAOYSA-N 1 2 281.319 1.975 20 30 CDEDLO C#C[C@H](NC(=O)[C@H](C(CC)CC)[NH+]1CCOCC1)C(C)C ZINC000799043699 840975101 /nfs/dbraw/zinc/97/51/01/840975101.db2.gz BKWTYMGSCOISGE-HOTGVXAUSA-N 1 2 294.439 1.897 20 30 CDEDLO CC[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1cccc(C#N)c1 ZINC000886472061 840978413 /nfs/dbraw/zinc/97/84/13/840978413.db2.gz FNPHZVJAAICZEK-ZDUSSCGKSA-N 1 2 293.392 1.273 20 30 CDEDLO CC[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cccc(C#N)c1 ZINC000886472061 840978417 /nfs/dbraw/zinc/97/84/17/840978417.db2.gz FNPHZVJAAICZEK-ZDUSSCGKSA-N 1 2 293.392 1.273 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(-c2ncon2)cc1 ZINC001038929489 841009585 /nfs/dbraw/zinc/00/95/85/841009585.db2.gz CXJMTEDPOJUJOP-CQSZACIVSA-N 1 2 296.330 1.174 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(-c2ncon2)cc1 ZINC001038929489 841009594 /nfs/dbraw/zinc/00/95/94/841009594.db2.gz CXJMTEDPOJUJOP-CQSZACIVSA-N 1 2 296.330 1.174 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)c[nH]1 ZINC001032525505 841045533 /nfs/dbraw/zinc/04/55/33/841045533.db2.gz UFEMNSDHQYZPQG-RYUDHWBXSA-N 1 2 261.300 1.076 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)c[nH]1 ZINC001032525505 841045538 /nfs/dbraw/zinc/04/55/38/841045538.db2.gz UFEMNSDHQYZPQG-RYUDHWBXSA-N 1 2 261.300 1.076 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001046633990 841054777 /nfs/dbraw/zinc/05/47/77/841054777.db2.gz BRBVAHFFMBLFRX-BZPMIXESSA-N 1 2 286.803 1.887 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001046633990 841054797 /nfs/dbraw/zinc/05/47/97/841054797.db2.gz BRBVAHFFMBLFRX-BZPMIXESSA-N 1 2 286.803 1.887 20 30 CDEDLO N#CC1CC[NH+](Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000876653604 841098669 /nfs/dbraw/zinc/09/86/69/841098669.db2.gz QBCQMSYAOZJPPN-UHFFFAOYSA-N 1 2 279.365 1.070 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1ccc2c(c1)oc(=O)n2C ZINC000816512993 841111636 /nfs/dbraw/zinc/11/16/36/841111636.db2.gz BVGZZJRWGBRPQG-UHFFFAOYSA-N 1 2 268.316 1.590 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1ccc2c(c1)oc(=O)n2C ZINC000816512993 841111644 /nfs/dbraw/zinc/11/16/44/841111644.db2.gz BVGZZJRWGBRPQG-UHFFFAOYSA-N 1 2 268.316 1.590 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCOC1 ZINC001018109486 841143518 /nfs/dbraw/zinc/14/35/18/841143518.db2.gz FTBAYHHHYKHAAP-LZWOXQAQSA-N 1 2 276.380 1.112 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCOC1 ZINC001018109486 841143520 /nfs/dbraw/zinc/14/35/20/841143520.db2.gz FTBAYHHHYKHAAP-LZWOXQAQSA-N 1 2 276.380 1.112 20 30 CDEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000591010362 841149003 /nfs/dbraw/zinc/14/90/03/841149003.db2.gz XHTWGQRTMVNAHS-ZDUSSCGKSA-N 1 2 264.373 1.512 20 30 CDEDLO C=C(C)CCC(=O)N1CC[NH+]([C@H]2CCN(C(C)=O)C2)CC1 ZINC001065675478 841149917 /nfs/dbraw/zinc/14/99/17/841149917.db2.gz QYFLWMQPXFRBNE-HNNXBMFYSA-N 1 2 293.411 1.108 20 30 CDEDLO N#CCCNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000426449946 841262383 /nfs/dbraw/zinc/26/23/83/841262383.db2.gz KOOULGYTHNAIIA-UHFFFAOYSA-N 1 2 269.308 1.585 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)cc1 ZINC001032749423 841445906 /nfs/dbraw/zinc/44/59/06/841445906.db2.gz CDATZHMCAHKZCM-HOTGVXAUSA-N 1 2 268.360 1.917 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)cc1 ZINC001032749423 841445933 /nfs/dbraw/zinc/44/59/33/841445933.db2.gz CDATZHMCAHKZCM-HOTGVXAUSA-N 1 2 268.360 1.917 20 30 CDEDLO CCOC(=O)[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)C(C)(C)C ZINC000886077395 841556969 /nfs/dbraw/zinc/55/69/69/841556969.db2.gz YZPGBFVGXIYXKA-QWHCGFSZSA-N 1 2 296.411 1.999 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccccc2C)C1 ZINC001031369132 841629925 /nfs/dbraw/zinc/62/99/25/841629925.db2.gz WPYWOBCRJSPRQN-UHFFFAOYSA-N 1 2 258.365 1.914 20 30 CDEDLO CC#CCCCC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928645635 841645867 /nfs/dbraw/zinc/64/58/67/841645867.db2.gz ZUBLIFVWIOCSRN-CQSZACIVSA-N 1 2 266.385 1.407 20 30 CDEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cn1cnnc1 ZINC000776757141 841664126 /nfs/dbraw/zinc/66/41/26/841664126.db2.gz IGYUZRYPOZQQOS-UHFFFAOYSA-N 1 2 253.309 1.795 20 30 CDEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cn1cnnc1 ZINC000776757141 841664147 /nfs/dbraw/zinc/66/41/47/841664147.db2.gz IGYUZRYPOZQQOS-UHFFFAOYSA-N 1 2 253.309 1.795 20 30 CDEDLO C#CCNC(=S)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788330601 841809517 /nfs/dbraw/zinc/80/95/17/841809517.db2.gz CMLODGBIFNVKAZ-GFCCVEGCSA-N 1 2 261.350 1.042 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cccnc2Cl)C1 ZINC000829974622 841831165 /nfs/dbraw/zinc/83/11/65/841831165.db2.gz HOUCEYMNYLZWPH-LBPRGKRZSA-N 1 2 251.717 1.585 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cccnc2Cl)C1 ZINC000829974622 841831169 /nfs/dbraw/zinc/83/11/69/841831169.db2.gz HOUCEYMNYLZWPH-LBPRGKRZSA-N 1 2 251.717 1.585 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001031369231 841848248 /nfs/dbraw/zinc/84/82/48/841848248.db2.gz FEDUDJMBGPVUGW-UHFFFAOYSA-N 1 2 292.766 1.786 20 30 CDEDLO N#Cc1ccc(NC(=O)NCCCCn2cc[nH+]c2)nc1 ZINC000889222110 841850450 /nfs/dbraw/zinc/85/04/50/841850450.db2.gz DTPAZHNUQJUDSM-UHFFFAOYSA-N 1 2 284.323 1.752 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccnn1C ZINC001027783387 841850626 /nfs/dbraw/zinc/85/06/26/841850626.db2.gz WUKSLYDJXVITGF-LLVKDONJSA-N 1 2 282.775 1.367 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnn1C ZINC001027783387 841850630 /nfs/dbraw/zinc/85/06/30/841850630.db2.gz WUKSLYDJXVITGF-LLVKDONJSA-N 1 2 282.775 1.367 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)C[C@@H]2C)C1 ZINC000923567555 841857773 /nfs/dbraw/zinc/85/77/73/841857773.db2.gz UOXTVEQAFYWLGP-KCQAQPDRSA-N 1 2 276.380 1.206 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)C[C@@H]2C)C1 ZINC000923567555 841857774 /nfs/dbraw/zinc/85/77/74/841857774.db2.gz UOXTVEQAFYWLGP-KCQAQPDRSA-N 1 2 276.380 1.206 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(F)c1 ZINC001032317476 841906597 /nfs/dbraw/zinc/90/65/97/841906597.db2.gz UKUNQBIJTGEEOO-UGFHNGPFSA-N 1 2 287.338 1.770 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(F)c1 ZINC001032317476 841906617 /nfs/dbraw/zinc/90/66/17/841906617.db2.gz UKUNQBIJTGEEOO-UGFHNGPFSA-N 1 2 287.338 1.770 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@@H+](CCOC)[C@H]2C1 ZINC001074311818 841916233 /nfs/dbraw/zinc/91/62/33/841916233.db2.gz CSKCVKVZLNDYFR-KBPBESRZSA-N 1 2 296.411 1.147 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@H+](CCOC)[C@H]2C1 ZINC001074311818 841916258 /nfs/dbraw/zinc/91/62/58/841916258.db2.gz CSKCVKVZLNDYFR-KBPBESRZSA-N 1 2 296.411 1.147 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000932162865 841941435 /nfs/dbraw/zinc/94/14/35/841941435.db2.gz XSVGSELIHDOKNK-JSGCOSHPSA-N 1 2 278.327 1.801 20 30 CDEDLO N#C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000932162865 841941441 /nfs/dbraw/zinc/94/14/41/841941441.db2.gz XSVGSELIHDOKNK-JSGCOSHPSA-N 1 2 278.327 1.801 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2CCC[C@H](OC)C2)C1 ZINC001030417785 841942276 /nfs/dbraw/zinc/94/22/76/841942276.db2.gz XJRAFJFNILHOPL-ZFWWWQNUSA-N 1 2 280.412 1.958 20 30 CDEDLO C#CCSCC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000889539508 841987603 /nfs/dbraw/zinc/98/76/03/841987603.db2.gz ISWNEWAUCUHDCW-ZIAGYGMSSA-N 1 2 296.436 1.112 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2[nH]nc3ccccc32)C1 ZINC001044333443 842053085 /nfs/dbraw/zinc/05/30/85/842053085.db2.gz RFRMMQSIGIIRPF-UHFFFAOYSA-N 1 2 284.363 1.434 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)ccc2C)C1 ZINC001035586981 842099494 /nfs/dbraw/zinc/09/94/94/842099494.db2.gz LSDIALOSFDQFJN-OAHLLOKOSA-N 1 2 288.391 1.920 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(C)ccc2C)C1 ZINC001035586981 842099499 /nfs/dbraw/zinc/09/94/99/842099499.db2.gz LSDIALOSFDQFJN-OAHLLOKOSA-N 1 2 288.391 1.920 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(CCC)n1 ZINC001038923732 842193598 /nfs/dbraw/zinc/19/35/98/842193598.db2.gz VIENSOCPOYYKGC-LLVKDONJSA-N 1 2 263.341 1.617 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(CCC)n1 ZINC001038923732 842193620 /nfs/dbraw/zinc/19/36/20/842193620.db2.gz VIENSOCPOYYKGC-LLVKDONJSA-N 1 2 263.341 1.617 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927092440 842215468 /nfs/dbraw/zinc/21/54/68/842215468.db2.gz IDZBXWJINSIBSK-NSHDSACASA-N 1 2 258.325 1.644 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C)c2cncnc2)C1 ZINC001043617884 842239992 /nfs/dbraw/zinc/23/99/92/842239992.db2.gz SDANETDVVXZVHB-GFCCVEGCSA-N 1 2 274.368 1.299 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2scnc2C2CC2)C1 ZINC001033486610 842248676 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/nfs/dbraw/zinc/29/08/21/918290821.db2.gz VCOVLJGQJKCFJE-KCXAZCMYSA-N 1 2 299.374 1.378 20 30 CDEDLO CO[C@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032302243 918290833 /nfs/dbraw/zinc/29/08/33/918290833.db2.gz VCOVLJGQJKCFJE-KCXAZCMYSA-N 1 2 299.374 1.378 20 30 CDEDLO Cc1noc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N ZINC001032318657 918381169 /nfs/dbraw/zinc/38/11/69/918381169.db2.gz UZNHVGKFVXLSAC-ICCXJUOJSA-N 1 2 288.351 1.236 20 30 CDEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N ZINC001032318657 918381184 /nfs/dbraw/zinc/38/11/84/918381184.db2.gz UZNHVGKFVXLSAC-ICCXJUOJSA-N 1 2 288.351 1.236 20 30 CDEDLO CC(C)C[C@H](C(=O)N1CC[C@@H](NCC#N)C1)n1cc[nH+]c1 ZINC001183496892 918512597 /nfs/dbraw/zinc/51/25/97/918512597.db2.gz QRSJLPJCXGTYBU-ZIAGYGMSSA-N 1 2 289.383 1.184 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2CCCC2)C1 ZINC001107679618 918593644 /nfs/dbraw/zinc/59/36/44/918593644.db2.gz FOXCLCGADVLYCZ-OAHLLOKOSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2CCCC2)C1 ZINC001107679618 918593655 /nfs/dbraw/zinc/59/36/55/918593655.db2.gz FOXCLCGADVLYCZ-OAHLLOKOSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)/C=C\c2ccco2)C1 ZINC001107698338 918635620 /nfs/dbraw/zinc/63/56/20/918635620.db2.gz OOVORTMIKHPLCX-WLMCBFPDSA-N 1 2 290.363 1.686 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)/C=C\c2ccco2)C1 ZINC001107698338 918635628 /nfs/dbraw/zinc/63/56/28/918635628.db2.gz OOVORTMIKHPLCX-WLMCBFPDSA-N 1 2 290.363 1.686 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCCNC(=O)C2)cc1OC ZINC001138344140 936522924 /nfs/dbraw/zinc/52/29/24/936522924.db2.gz YSLRQYLHNWIZNC-UHFFFAOYSA-N 1 2 288.347 1.029 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCCNC(=O)C2)cc1OC ZINC001138344140 936522926 /nfs/dbraw/zinc/52/29/26/936522926.db2.gz YSLRQYLHNWIZNC-UHFFFAOYSA-N 1 2 288.347 1.029 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)NC=N ZINC001183839701 918712344 /nfs/dbraw/zinc/71/23/44/918712344.db2.gz ZZCVEZBCOYZWII-AWEZNQCLSA-N 1 2 270.336 1.636 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)NC=N ZINC001183839701 918712352 /nfs/dbraw/zinc/71/23/52/918712352.db2.gz ZZCVEZBCOYZWII-AWEZNQCLSA-N 1 2 270.336 1.636 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@](C)(O)CC(C)C)CC1 ZINC001183968033 918795121 /nfs/dbraw/zinc/79/51/21/918795121.db2.gz PKMIDYPVGJCSKT-AWEZNQCLSA-N 1 2 254.374 1.114 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001107874534 918955004 /nfs/dbraw/zinc/95/50/04/918955004.db2.gz PBMUTPCIOGJCOV-SWLSCSKDSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001107874534 918955013 /nfs/dbraw/zinc/95/50/13/918955013.db2.gz PBMUTPCIOGJCOV-SWLSCSKDSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccn1C ZINC001050818513 936564746 /nfs/dbraw/zinc/56/47/46/936564746.db2.gz DGSDSVOMWWZGQU-ZDUSSCGKSA-N 1 2 277.368 1.032 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccn1C ZINC001050818513 936564748 /nfs/dbraw/zinc/56/47/48/936564748.db2.gz DGSDSVOMWWZGQU-ZDUSSCGKSA-N 1 2 277.368 1.032 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(C)on1 ZINC001272773170 919222968 /nfs/dbraw/zinc/22/29/68/919222968.db2.gz RKVPOQCFXBUJOY-MRXNPFEDSA-N 1 2 287.363 1.573 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(C)on1 ZINC001272773170 919222982 /nfs/dbraw/zinc/22/29/82/919222982.db2.gz RKVPOQCFXBUJOY-MRXNPFEDSA-N 1 2 287.363 1.573 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC001139390066 936617839 /nfs/dbraw/zinc/61/78/39/936617839.db2.gz MHCSMEITUNLTRT-HOTGVXAUSA-N 1 2 297.402 1.764 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(O)c(F)c2)CC1 ZINC001186219649 919952936 /nfs/dbraw/zinc/95/29/36/919952936.db2.gz WLZOTDZQVKMSGQ-UHFFFAOYSA-N 1 2 264.300 1.475 20 30 CDEDLO N#Cc1ccc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)cc1F ZINC001139529116 936627064 /nfs/dbraw/zinc/62/70/64/936627064.db2.gz KRXQQGIGFHVAFP-ZDUSSCGKSA-N 1 2 277.318 1.925 20 30 CDEDLO N#Cc1ccc(CN2CC([N@H+]3CC[C@H](F)C3)C2)cc1F ZINC001139529116 936627065 /nfs/dbraw/zinc/62/70/65/936627065.db2.gz KRXQQGIGFHVAFP-ZDUSSCGKSA-N 1 2 277.318 1.925 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(cccc3C)o2)C1 ZINC001078243471 920180184 /nfs/dbraw/zinc/18/01/84/920180184.db2.gz MTLMQSRYVLSBFZ-ZIAGYGMSSA-N 1 2 298.342 1.149 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c(cccc3C)o2)C1 ZINC001078243471 920180188 /nfs/dbraw/zinc/18/01/88/920180188.db2.gz MTLMQSRYVLSBFZ-ZIAGYGMSSA-N 1 2 298.342 1.149 20 30 CDEDLO N#C[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001139853864 936653711 /nfs/dbraw/zinc/65/37/11/936653711.db2.gz PUFJAVGZINCSLL-LLVKDONJSA-N 1 2 254.297 1.212 20 30 CDEDLO N#C[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001139853864 936653712 /nfs/dbraw/zinc/65/37/12/936653712.db2.gz PUFJAVGZINCSLL-LLVKDONJSA-N 1 2 254.297 1.212 20 30 CDEDLO C#CCCC[N@H+]1C[C@]2(F)CN(CC=C(C)C)C(=O)[C@]2(F)C1 ZINC001273537786 920444247 /nfs/dbraw/zinc/44/42/47/920444247.db2.gz LTCAJOPFAPDNPT-JKSUJKDBSA-N 1 2 296.361 1.940 20 30 CDEDLO C#CCCC[N@@H+]1C[C@]2(F)CN(CC=C(C)C)C(=O)[C@]2(F)C1 ZINC001273537786 920444255 /nfs/dbraw/zinc/44/42/55/920444255.db2.gz LTCAJOPFAPDNPT-JKSUJKDBSA-N 1 2 296.361 1.940 20 30 CDEDLO C#CC[NH+]1CCN(Cc2csc(Cl)n2)CC1 ZINC001139978491 936664301 /nfs/dbraw/zinc/66/43/01/936664301.db2.gz SDFCOLADAARVET-UHFFFAOYSA-N 1 2 255.774 1.547 20 30 CDEDLO C=CC[NH+](CC=C)Cc1cnc(SC)nc1N ZINC001140251085 936692111 /nfs/dbraw/zinc/69/21/11/936692111.db2.gz WKSGMGSQPBOXEW-UHFFFAOYSA-N 1 2 250.371 1.955 20 30 CDEDLO Cn1cc(NC(=O)c2ccccc2-n2cc[nH+]c2)c(C#N)n1 ZINC001190086256 921838640 /nfs/dbraw/zinc/83/86/40/921838640.db2.gz UAKROGPJQGBNGE-UHFFFAOYSA-N 1 2 292.302 1.730 20 30 CDEDLO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190271522 921947415 /nfs/dbraw/zinc/94/74/15/921947415.db2.gz ZPOCNRWNFCRNRX-NXEZZACHSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190271522 921947427 /nfs/dbraw/zinc/94/74/27/921947427.db2.gz ZPOCNRWNFCRNRX-NXEZZACHSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001190271522 921947436 /nfs/dbraw/zinc/94/74/36/921947436.db2.gz ZPOCNRWNFCRNRX-NXEZZACHSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001190271522 921947448 /nfs/dbraw/zinc/94/74/48/921947448.db2.gz ZPOCNRWNFCRNRX-NXEZZACHSA-N 1 2 282.281 1.996 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)cn1 ZINC001140544152 936722663 /nfs/dbraw/zinc/72/26/63/936722663.db2.gz DTTZSDYYAJGWCC-MRXNPFEDSA-N 1 2 298.390 1.930 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)cn1 ZINC001140544152 936722664 /nfs/dbraw/zinc/72/26/64/936722664.db2.gz DTTZSDYYAJGWCC-MRXNPFEDSA-N 1 2 298.390 1.930 20 30 CDEDLO C=CCC1(S(=O)(=O)NCCOc2cc[nH+]cc2)CC1 ZINC001190845225 922244970 /nfs/dbraw/zinc/24/49/70/922244970.db2.gz LFQTXJINMOLKKE-UHFFFAOYSA-N 1 2 282.365 1.489 20 30 CDEDLO C=CCOCC(=O)N1CC[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001098512408 936752845 /nfs/dbraw/zinc/75/28/45/936752845.db2.gz BRMDDDPXOSIOSS-CYBMUJFWSA-N 1 2 290.367 1.248 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc[nH]c2C)[C@H](O)C1 ZINC001090172570 922436782 /nfs/dbraw/zinc/43/67/82/922436782.db2.gz AVBTUJLUORUXTB-CHWSQXEVSA-N 1 2 297.786 1.241 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c2C)[C@H](O)C1 ZINC001090172570 922436791 /nfs/dbraw/zinc/43/67/91/922436791.db2.gz AVBTUJLUORUXTB-CHWSQXEVSA-N 1 2 297.786 1.241 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CCC)OC)C1 ZINC001108115009 922484456 /nfs/dbraw/zinc/48/44/56/922484456.db2.gz KMYFOLBVMAICQA-HOCLYGCPSA-N 1 2 296.411 1.032 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CCC)OC)C1 ZINC001108115009 922484459 /nfs/dbraw/zinc/48/44/59/922484459.db2.gz KMYFOLBVMAICQA-HOCLYGCPSA-N 1 2 296.411 1.032 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)C(F)(F)F)C1 ZINC001108133132 922697969 /nfs/dbraw/zinc/69/79/69/922697969.db2.gz VDSFNYCANTYZIX-ZYHUDNBSSA-N 1 2 294.317 1.578 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)C(F)(F)F)C1 ZINC001108133132 922697980 /nfs/dbraw/zinc/69/79/80/922697980.db2.gz VDSFNYCANTYZIX-ZYHUDNBSSA-N 1 2 294.317 1.578 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NC[C@]1(C)C[N@H+](CC#CC)CCO1 ZINC001108147723 922777022 /nfs/dbraw/zinc/77/70/22/922777022.db2.gz CMLQMQOWDDTQIP-NVXWUHKLSA-N 1 2 292.423 1.819 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NC[C@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001108147723 922777030 /nfs/dbraw/zinc/77/70/30/922777030.db2.gz CMLQMQOWDDTQIP-NVXWUHKLSA-N 1 2 292.423 1.819 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)[C@H](O)C1 ZINC001090255223 922794682 /nfs/dbraw/zinc/79/46/82/922794682.db2.gz NTKLQOOZCAABSD-ZIAGYGMSSA-N 1 2 298.814 1.791 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)[C@H](O)C1 ZINC001090255223 922794694 /nfs/dbraw/zinc/79/46/94/922794694.db2.gz NTKLQOOZCAABSD-ZIAGYGMSSA-N 1 2 298.814 1.791 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccn3ccnc3c2)CC1 ZINC001141050936 936802889 /nfs/dbraw/zinc/80/28/89/936802889.db2.gz LDOQOFSNBHGNSB-UHFFFAOYSA-N 1 2 298.346 1.613 20 30 CDEDLO COC(=O)C1(C#N)CCN(Cc2ccn3cc[nH+]c3c2)CC1 ZINC001141050936 936802890 /nfs/dbraw/zinc/80/28/90/936802890.db2.gz LDOQOFSNBHGNSB-UHFFFAOYSA-N 1 2 298.346 1.613 20 30 CDEDLO N#CCS(=O)(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001192929295 923349588 /nfs/dbraw/zinc/34/95/88/923349588.db2.gz SXPDDSGQKCWISC-UHFFFAOYSA-N 1 2 262.294 1.138 20 30 CDEDLO C[C@H](C#N)S(=O)(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC001193146745 923491905 /nfs/dbraw/zinc/49/19/05/923491905.db2.gz SGXZQACBJGWJHD-LLVKDONJSA-N 1 2 290.348 1.585 20 30 CDEDLO C#CCNc1c2[nH+]ccn2ccc1I ZINC001163362351 923659824 /nfs/dbraw/zinc/65/98/24/923659824.db2.gz RZFQMNXGUXAHFC-UHFFFAOYSA-N 1 2 297.099 1.984 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc(F)cc2C)CC1 ZINC001193624694 923816146 /nfs/dbraw/zinc/81/61/46/923816146.db2.gz CYFSCGGSIMVEAQ-UHFFFAOYSA-N 1 2 263.316 1.473 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](OC)C(C)C)C1 ZINC001108184839 923922089 /nfs/dbraw/zinc/92/20/89/923922089.db2.gz YVWOTROMLLALNC-HIFRSBDPSA-N 1 2 284.400 1.051 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](OC)C(C)C)C1 ZINC001108184839 923922099 /nfs/dbraw/zinc/92/20/99/923922099.db2.gz YVWOTROMLLALNC-HIFRSBDPSA-N 1 2 284.400 1.051 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cncc(SC)c2)CC1 ZINC001194092084 924079374 /nfs/dbraw/zinc/07/93/74/924079374.db2.gz IXZSXDLGMGUNIL-UHFFFAOYSA-N 1 2 277.393 1.747 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001079470201 924326632 /nfs/dbraw/zinc/32/66/32/924326632.db2.gz HPVUKRKUHJCQSE-YUSALJHKSA-N 1 2 272.776 1.212 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001079470201 924326641 /nfs/dbraw/zinc/32/66/41/924326641.db2.gz HPVUKRKUHJCQSE-YUSALJHKSA-N 1 2 272.776 1.212 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cnoc2)C1 ZINC001080312516 924537520 /nfs/dbraw/zinc/53/75/20/924537520.db2.gz WHJWNEZHZMEWBV-BXKDBHETSA-N 1 2 283.759 1.406 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cnoc2)C1 ZINC001080312516 924537528 /nfs/dbraw/zinc/53/75/28/924537528.db2.gz WHJWNEZHZMEWBV-BXKDBHETSA-N 1 2 283.759 1.406 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)/C(C)=C\CC)[C@H](O)C1 ZINC001099718733 924643104 /nfs/dbraw/zinc/64/31/04/924643104.db2.gz QEFBMNKCMXTHJQ-LTYVFUKFSA-N 1 2 286.803 1.647 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)/C(C)=C\CC)[C@H](O)C1 ZINC001099718733 924643107 /nfs/dbraw/zinc/64/31/07/924643107.db2.gz QEFBMNKCMXTHJQ-LTYVFUKFSA-N 1 2 286.803 1.647 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)C)[C@@H]2C1 ZINC001084194544 925178524 /nfs/dbraw/zinc/17/85/24/925178524.db2.gz VMIXTKSDKHCADT-VXGBXAGGSA-N 1 2 256.777 1.928 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)C)[C@@H]2C1 ZINC001084194544 925178528 /nfs/dbraw/zinc/17/85/28/925178528.db2.gz VMIXTKSDKHCADT-VXGBXAGGSA-N 1 2 256.777 1.928 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCCO3)[C@@H]2C1 ZINC001084200373 925183201 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C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1snnc1C ZINC001085479641 926047657 /nfs/dbraw/zinc/04/76/57/926047657.db2.gz XFIQMPQCJIKJEY-LLVKDONJSA-N 1 2 278.381 1.016 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)coc1C ZINC001085578507 926175608 /nfs/dbraw/zinc/17/56/08/926175608.db2.gz PQTDKQFMMNRZCT-ZDUSSCGKSA-N 1 2 260.337 1.676 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)coc1C ZINC001085578507 926175614 /nfs/dbraw/zinc/17/56/14/926175614.db2.gz PQTDKQFMMNRZCT-ZDUSSCGKSA-N 1 2 260.337 1.676 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C)c1F ZINC001085606441 926204995 /nfs/dbraw/zinc/20/49/95/926204995.db2.gz NGYVUNHIHDASBV-ZDUSSCGKSA-N 1 2 274.339 1.914 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C)c1F ZINC001085606441 926205002 /nfs/dbraw/zinc/20/50/02/926205002.db2.gz NGYVUNHIHDASBV-ZDUSSCGKSA-N 1 2 274.339 1.914 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]cc2ncnc1-2 ZINC001085610629 926213267 /nfs/dbraw/zinc/21/32/67/926213267.db2.gz XXQKCFKYRNYGRT-NSHDSACASA-N 1 2 285.351 1.290 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]cc2ncnc1-2 ZINC001085610629 926213275 /nfs/dbraw/zinc/21/32/75/926213275.db2.gz XXQKCFKYRNYGRT-NSHDSACASA-N 1 2 285.351 1.290 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C(C)C)nc1 ZINC001085640846 926238270 /nfs/dbraw/zinc/23/82/70/926238270.db2.gz XUCKMJNEYQNNBK-OAHLLOKOSA-N 1 2 285.391 1.985 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C(C)C)nc1 ZINC001085640846 926238280 /nfs/dbraw/zinc/23/82/80/926238280.db2.gz XUCKMJNEYQNNBK-OAHLLOKOSA-N 1 2 285.391 1.985 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2cccn2cn1 ZINC001085668948 926259466 /nfs/dbraw/zinc/25/94/66/926259466.db2.gz NTOWAKOCIOEJBQ-AWEZNQCLSA-N 1 2 282.347 1.114 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2cccn2cn1 ZINC001085668948 926259470 /nfs/dbraw/zinc/25/94/70/926259470.db2.gz NTOWAKOCIOEJBQ-AWEZNQCLSA-N 1 2 282.347 1.114 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn(CC2CC2)c1 ZINC001085914517 926500948 /nfs/dbraw/zinc/50/09/48/926500948.db2.gz BQXJRUOUTNUQLH-HNNXBMFYSA-N 1 2 286.379 1.073 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(CC2CC2)c1 ZINC001085914517 926500954 /nfs/dbraw/zinc/50/09/54/926500954.db2.gz BQXJRUOUTNUQLH-HNNXBMFYSA-N 1 2 286.379 1.073 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(C(C)C)c1C ZINC001085918050 926501899 /nfs/dbraw/zinc/50/18/99/926501899.db2.gz SEBWVNGQXIHTDU-CQSZACIVSA-N 1 2 288.395 1.552 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(C(C)C)c1C ZINC001085918050 926501902 /nfs/dbraw/zinc/50/19/02/926501902.db2.gz SEBWVNGQXIHTDU-CQSZACIVSA-N 1 2 288.395 1.552 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(Cl)cn1 ZINC001085935401 926522840 /nfs/dbraw/zinc/52/28/40/926522840.db2.gz DFUCRYXUMPZVDU-ZDUSSCGKSA-N 1 2 291.782 1.905 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(Cl)cn1 ZINC001085935401 926522846 /nfs/dbraw/zinc/52/28/46/926522846.db2.gz DFUCRYXUMPZVDU-ZDUSSCGKSA-N 1 2 291.782 1.905 20 30 CDEDLO CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1cc[nH+]c(C)n1 ZINC001103016486 937113031 /nfs/dbraw/zinc/11/30/31/937113031.db2.gz DNWDPLPWJODXAN-GFCCVEGCSA-N 1 2 298.350 1.605 20 30 CDEDLO CC[C@@H](CNC(=O)Cn1cc[nH+]c1)Nc1ncccc1C#N ZINC001103117838 937123512 /nfs/dbraw/zinc/12/35/12/937123512.db2.gz MGLUPYMIJMVRPJ-ZDUSSCGKSA-N 1 2 298.350 1.157 20 30 CDEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](CC(=O)CC)C2 ZINC001273950663 926988505 /nfs/dbraw/zinc/98/85/05/926988505.db2.gz JMQUCTVKPAPYOV-INIZCTEOSA-N 1 2 294.395 1.093 20 30 CDEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](CC(=O)CC)C2 ZINC001273950663 926988515 /nfs/dbraw/zinc/98/85/15/926988515.db2.gz JMQUCTVKPAPYOV-INIZCTEOSA-N 1 2 294.395 1.093 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)CC(C)C)C1 ZINC001108309697 927373244 /nfs/dbraw/zinc/37/32/44/927373244.db2.gz XTVOZTUHKMNKRQ-NVXWUHKLSA-N 1 2 294.439 1.899 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)CC(C)C)C1 ZINC001108309697 927373254 /nfs/dbraw/zinc/37/32/54/927373254.db2.gz XTVOZTUHKMNKRQ-NVXWUHKLSA-N 1 2 294.439 1.899 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cncnc2)C1 ZINC001137672439 937228781 /nfs/dbraw/zinc/22/87/81/937228781.db2.gz GVJAIZRDQDJTQY-ZDUSSCGKSA-N 1 2 276.340 1.353 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cncnc2)C1 ZINC001137672439 937228784 /nfs/dbraw/zinc/22/87/84/937228784.db2.gz GVJAIZRDQDJTQY-ZDUSSCGKSA-N 1 2 276.340 1.353 20 30 CDEDLO C[N@@H+]1CCOC[C@H]1CNc1cc(C2(C#N)CC2)ccn1 ZINC001169654191 928289117 /nfs/dbraw/zinc/28/91/17/928289117.db2.gz XMCATEXWFVPGMW-CYBMUJFWSA-N 1 2 272.352 1.379 20 30 CDEDLO C[N@H+]1CCOC[C@H]1CNc1cc(C2(C#N)CC2)ccn1 ZINC001169654191 928289128 /nfs/dbraw/zinc/28/91/28/928289128.db2.gz XMCATEXWFVPGMW-CYBMUJFWSA-N 1 2 272.352 1.379 20 30 CDEDLO COc1ccc(NC[C@H]2COCC[N@@H+]2C)c(CC#N)c1 ZINC001169656538 928291884 /nfs/dbraw/zinc/29/18/84/928291884.db2.gz NHAMWWMJJMOVEI-ZDUSSCGKSA-N 1 2 275.352 1.504 20 30 CDEDLO COc1ccc(NC[C@H]2COCC[N@H+]2C)c(CC#N)c1 ZINC001169656538 928291898 /nfs/dbraw/zinc/29/18/98/928291898.db2.gz NHAMWWMJJMOVEI-ZDUSSCGKSA-N 1 2 275.352 1.504 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC)C2 ZINC001108844552 928680383 /nfs/dbraw/zinc/68/03/83/928680383.db2.gz DZXYRVIIEATDJR-VWYCJHECSA-N 1 2 258.749 1.107 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC)C2 ZINC001108844552 928680386 /nfs/dbraw/zinc/68/03/86/928680386.db2.gz DZXYRVIIEATDJR-VWYCJHECSA-N 1 2 258.749 1.107 20 30 CDEDLO COC(=O)n1ncc(C#N)c1Nc1c[nH+]ccc1OC ZINC001169970862 928724447 /nfs/dbraw/zinc/72/44/47/928724447.db2.gz NZFAFGFVQDDTPQ-UHFFFAOYSA-N 1 2 273.252 1.516 20 30 CDEDLO Cc1nc(N(C)C[C@@H](C)NC(=O)C#CC2CC2)cc[nH+]1 ZINC001108940929 928735373 /nfs/dbraw/zinc/73/53/73/928735373.db2.gz MDPUEYUFKMJRMK-LLVKDONJSA-N 1 2 272.352 1.139 20 30 CDEDLO CN(CCCNc1ccc(C#N)cn1)C(=O)Cn1cc[nH+]c1 ZINC001109472300 928948796 /nfs/dbraw/zinc/94/87/96/928948796.db2.gz FUFCRWTZGQNFAD-UHFFFAOYSA-N 1 2 298.350 1.110 20 30 CDEDLO CC[N@H+](Cc1ccon1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153232511 937430903 /nfs/dbraw/zinc/43/09/03/937430903.db2.gz FWRLDMYTPCXFSK-GFCCVEGCSA-N 1 2 275.352 1.415 20 30 CDEDLO CC[N@@H+](Cc1ccon1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153232511 937430904 /nfs/dbraw/zinc/43/09/04/937430904.db2.gz FWRLDMYTPCXFSK-GFCCVEGCSA-N 1 2 275.352 1.415 20 30 CDEDLO CC[N@H+](Cc1ncc(C)o1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153233234 937431708 /nfs/dbraw/zinc/43/17/08/937431708.db2.gz YBSCGKBKEZXSOE-GFCCVEGCSA-N 1 2 289.379 1.723 20 30 CDEDLO CC[N@@H+](Cc1ncc(C)o1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153233234 937431710 /nfs/dbraw/zinc/43/17/10/937431710.db2.gz YBSCGKBKEZXSOE-GFCCVEGCSA-N 1 2 289.379 1.723 20 30 CDEDLO C#CC[N@@H+](CC)[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001153477169 937447786 /nfs/dbraw/zinc/44/77/86/937447786.db2.gz GYJXJZNEMCOLAP-RKDXNWHRSA-N 1 2 268.254 1.347 20 30 CDEDLO C#CC[N@H+](CC)[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001153477169 937447787 /nfs/dbraw/zinc/44/77/87/937447787.db2.gz GYJXJZNEMCOLAP-RKDXNWHRSA-N 1 2 268.254 1.347 20 30 CDEDLO C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001153477169 937447789 /nfs/dbraw/zinc/44/77/89/937447789.db2.gz GYJXJZNEMCOLAP-RKDXNWHRSA-N 1 2 268.254 1.347 20 30 CDEDLO C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001153477169 937447790 /nfs/dbraw/zinc/44/77/90/937447790.db2.gz GYJXJZNEMCOLAP-RKDXNWHRSA-N 1 2 268.254 1.347 20 30 CDEDLO C=CCC1(C(=O)NCC[NH2+]Cc2nnc(C)o2)CCCC1 ZINC001153809150 937472240 /nfs/dbraw/zinc/47/22/40/937472240.db2.gz CLRILFNWZGIZEN-UHFFFAOYSA-N 1 2 292.383 1.720 20 30 CDEDLO C[C@]1(CO)CC[N@H+](Cc2c(Cl)cccc2C#N)C[C@H]1O ZINC001143716638 931522531 /nfs/dbraw/zinc/52/25/31/931522531.db2.gz SUMCBTBGKIUIQQ-HUUCEWRRSA-N 1 2 294.782 1.777 20 30 CDEDLO C[C@]1(CO)CC[N@@H+](Cc2c(Cl)cccc2C#N)C[C@H]1O ZINC001143716638 931522536 /nfs/dbraw/zinc/52/25/36/931522536.db2.gz SUMCBTBGKIUIQQ-HUUCEWRRSA-N 1 2 294.782 1.777 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCCN2c1cccc[nH+]1 ZINC001274739261 931563738 /nfs/dbraw/zinc/56/37/38/931563738.db2.gz DHMHBHOVRQNTCC-MRXNPFEDSA-N 1 2 269.348 1.676 20 30 CDEDLO CC(=O)N1CCC2(C[NH+](Cc3ccc(C#N)cn3)C2)C1 ZINC001144160540 931675366 /nfs/dbraw/zinc/67/53/66/931675366.db2.gz KLBYGUWPFIAWDD-UHFFFAOYSA-N 1 2 270.336 1.007 20 30 CDEDLO C#Cc1ccc(C[NH+]2CC(N3C[C@H](C)O[C@@H](C)C3)C2)cc1 ZINC001144580483 931903029 /nfs/dbraw/zinc/90/30/29/931903029.db2.gz DLIRKWSXXPNXKJ-GJZGRUSLSA-N 1 2 284.403 1.961 20 30 CDEDLO N#C[C@@H]1CN(Cc2[nH+]cn3ccccc23)CCC1=O ZINC001144624983 931921623 /nfs/dbraw/zinc/92/16/23/931921623.db2.gz YCNIKDOARRDGSS-LLVKDONJSA-N 1 2 254.293 1.249 20 30 CDEDLO N#CC1CN(Cc2[nH+]cn3ccccc23)CCC1=O ZINC001144624983 931921626 /nfs/dbraw/zinc/92/16/26/931921626.db2.gz YCNIKDOARRDGSS-LLVKDONJSA-N 1 2 254.293 1.249 20 30 CDEDLO C#CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1ncccn1)C2 ZINC001147428407 932495184 /nfs/dbraw/zinc/49/51/84/932495184.db2.gz RNMNWAUJVHAVRJ-UHFFFAOYSA-N 1 2 298.390 1.314 20 30 CDEDLO C#CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1ncccn1)C2 ZINC001147428407 932495189 /nfs/dbraw/zinc/49/51/89/932495189.db2.gz RNMNWAUJVHAVRJ-UHFFFAOYSA-N 1 2 298.390 1.314 20 30 CDEDLO N#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001095619357 932731352 /nfs/dbraw/zinc/73/13/52/932731352.db2.gz GDHPOOLZKSMGEH-ZLDLUXBVSA-N 1 2 295.346 1.422 20 30 CDEDLO COc1ccc(N[C@@H]2C(=O)N(O)C[C@@H]2C)[nH+]c1C ZINC001171369777 932889061 /nfs/dbraw/zinc/88/90/61/932889061.db2.gz ZNVNZZFZTLDRES-CPCISQLKSA-N 1 2 251.286 1.047 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1C1CCC1 ZINC001038431832 935744752 /nfs/dbraw/zinc/74/47/52/935744752.db2.gz MBSMBSGULROKOJ-CYBMUJFWSA-N 1 2 286.379 1.125 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1C1CCC1 ZINC001038431832 935744756 /nfs/dbraw/zinc/74/47/56/935744756.db2.gz MBSMBSGULROKOJ-CYBMUJFWSA-N 1 2 286.379 1.125 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096392984 936062099 /nfs/dbraw/zinc/06/20/99/936062099.db2.gz DVCMDDQBHOHJRU-WCQYABFASA-N 1 2 290.367 1.071 20 30 CDEDLO CC(C)C#CC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001124126116 936288868 /nfs/dbraw/zinc/28/88/68/936288868.db2.gz DJYDGKHVDNBVBK-UHFFFAOYSA-N 1 2 259.353 1.786 20 30 CDEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(CC)CC ZINC001121715164 937881595 /nfs/dbraw/zinc/88/15/95/937881595.db2.gz RLDKVIFDEKRARR-UHFFFAOYSA-N 1 2 274.372 1.635 20 30 CDEDLO C=C(C)CCC(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122158233 937909541 /nfs/dbraw/zinc/90/95/41/937909541.db2.gz KNAVVMYGKVJRMW-GFCCVEGCSA-N 1 2 278.356 1.030 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2nc(C(C)C)ccc2C#N)C[NH2+]1 ZINC001156239960 938339773 /nfs/dbraw/zinc/33/97/73/938339773.db2.gz DGIKSSUTNOCJGT-AAEUAGOBSA-N 1 2 288.351 1.392 20 30 CDEDLO Cc1nc(N(C)C)nc(NCc2ccccc2C#N)[nH+]1 ZINC001156787048 938418652 /nfs/dbraw/zinc/41/86/52/938418652.db2.gz UHNSZONBZAFVCC-UHFFFAOYSA-N 1 2 268.324 1.730 20 30 CDEDLO N#Cc1cccc(NC(=O)c2ccc3[nH+]c(N)[nH]c3c2)n1 ZINC001156965171 938439303 /nfs/dbraw/zinc/43/93/03/938439303.db2.gz ZVIYKVSOYRUBCC-UHFFFAOYSA-N 1 2 278.275 1.664 20 30 CDEDLO Cc1nc(-n2cncn2)cc(N[C@H]2CC[C@H](C#N)CC2)[nH+]1 ZINC001157055041 938449369 /nfs/dbraw/zinc/44/93/69/938449369.db2.gz ISUNJJKMLBVZDA-HAQNSBGRSA-N 1 2 283.339 1.860 20 30 CDEDLO CC1(C)CCCc2cc(C#N)c(-n3[nH]c(=O)nc3C[NH3+])nc21 ZINC001157940507 938566499 /nfs/dbraw/zinc/56/64/99/938566499.db2.gz QAHMFEBIBLDRMU-UHFFFAOYSA-N 1 2 298.350 1.312 20 30 CDEDLO O=C(/C=C\c1ccc(F)cc1)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001158860623 938671529 /nfs/dbraw/zinc/67/15/29/938671529.db2.gz HCXAMTGDSAOYML-ACVFHECNSA-N 1 2 299.305 1.346 20 30 CDEDLO N#Cc1nccnc1N[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC001160720377 938818726 /nfs/dbraw/zinc/81/87/26/938818726.db2.gz OQWMXEYFMKXUMX-WCQYABFASA-N 1 2 273.340 1.013 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2nc(C)c(C)c(C)c2C#N)C[NH2+]1 ZINC001164307230 939450359 /nfs/dbraw/zinc/45/03/59/939450359.db2.gz VWZYCRJINSJWQM-AAEUAGOBSA-N 1 2 288.351 1.194 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)Oc1cccc(Cl)n1 ZINC001164642505 939501396 /nfs/dbraw/zinc/50/13/96/939501396.db2.gz WXNHYPMLOQRBPF-MRVPVSSYSA-N 1 2 288.685 1.461 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)OC)C1 ZINC001206447005 940042029 /nfs/dbraw/zinc/04/20/29/940042029.db2.gz DFFSMWCRUNHWAG-JLLWLGSASA-N 1 2 274.792 1.600 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)OC)C1 ZINC001206447005 940042032 /nfs/dbraw/zinc/04/20/32/940042032.db2.gz DFFSMWCRUNHWAG-JLLWLGSASA-N 1 2 274.792 1.600 20 30 CDEDLO Cc1nc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C2)cs1 ZINC001206662339 940075770 /nfs/dbraw/zinc/07/57/70/940075770.db2.gz HIUTYGYOMWKRFA-GIPNMCIBSA-N 1 2 292.408 1.548 20 30 CDEDLO Cc1nc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C2)cs1 ZINC001206662339 940075772 /nfs/dbraw/zinc/07/57/72/940075772.db2.gz HIUTYGYOMWKRFA-GIPNMCIBSA-N 1 2 292.408 1.548 20 30 CDEDLO C=CCN(CC[N@@H+]1CCOC[C@@H]1CC)C(=O)OCC ZINC001209022789 940423647 /nfs/dbraw/zinc/42/36/47/940423647.db2.gz UJUWIYVBOWMDSM-ZDUSSCGKSA-N 1 2 270.373 1.742 20 30 CDEDLO C=CCN(CC[N@H+]1CCOC[C@@H]1CC)C(=O)OCC ZINC001209022789 940423649 /nfs/dbraw/zinc/42/36/49/940423649.db2.gz UJUWIYVBOWMDSM-ZDUSSCGKSA-N 1 2 270.373 1.742 20 30 CDEDLO CC(=O)c1ccc([NH+]=C(NO)c2ccccc2N)cn1 ZINC001210276252 940678618 /nfs/dbraw/zinc/67/86/18/940678618.db2.gz KOOMGKGKWXSGLI-UHFFFAOYSA-N 1 2 270.292 1.924 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C/C=C(/C)C=C)[C@H]2C1 ZINC001218448782 941219665 /nfs/dbraw/zinc/21/96/65/941219665.db2.gz SDTKNPKMASRRNJ-TUJBUDNFSA-N 1 2 274.364 1.054 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C/C=C(/C)C=C)[C@H]2C1 ZINC001218448782 941219668 /nfs/dbraw/zinc/21/96/68/941219668.db2.gz SDTKNPKMASRRNJ-TUJBUDNFSA-N 1 2 274.364 1.054 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1O ZINC001219332972 941331162 /nfs/dbraw/zinc/33/11/62/941331162.db2.gz NHGJQFOJHUMLFY-CABCVRRESA-N 1 2 292.354 1.453 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1O ZINC001219332972 941331167 /nfs/dbraw/zinc/33/11/67/941331167.db2.gz NHGJQFOJHUMLFY-CABCVRRESA-N 1 2 292.354 1.453 20 30 CDEDLO C=CCn1cc(-c2ccc([C@@H]([NH3+])C(=O)OC)cc2)cn1 ZINC001222405494 941591234 /nfs/dbraw/zinc/59/12/34/941591234.db2.gz NEMMPDXKFNIMGN-CQSZACIVSA-N 1 2 271.320 1.909 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3c(F)cccc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225208143 941830047 /nfs/dbraw/zinc/83/00/47/941830047.db2.gz TZHNGEZJHUACAL-PEUDNIOHSA-N 1 2 267.275 1.956 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3c(F)cccc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225208143 941830049 /nfs/dbraw/zinc/83/00/49/941830049.db2.gz TZHNGEZJHUACAL-PEUDNIOHSA-N 1 2 267.275 1.956 20 30 CDEDLO N#CC1(NC(=O)[C@]23C[C@H]2CC[N@@H+]3Cc2ccncc2)CCC1 ZINC001277090449 941938852 /nfs/dbraw/zinc/93/88/52/941938852.db2.gz NIWBFKZDINWAGW-PBHICJAKSA-N 1 2 296.374 1.608 20 30 CDEDLO N#CC1(NC(=O)[C@]23C[C@H]2CC[N@H+]3Cc2ccncc2)CCC1 ZINC001277090449 941938854 /nfs/dbraw/zinc/93/88/54/941938854.db2.gz NIWBFKZDINWAGW-PBHICJAKSA-N 1 2 296.374 1.608 20 30 CDEDLO CN(C)C(=O)[C@H]1CC12C[NH+](Cc1cc(F)cc(C#N)c1)C2 ZINC001277126534 942001117 /nfs/dbraw/zinc/00/11/17/942001117.db2.gz IIADKABVCVCNRL-CQSZACIVSA-N 1 2 287.338 1.607 20 30 CDEDLO Cc1nnc(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)o1 ZINC001226460109 942008246 /nfs/dbraw/zinc/00/82/46/942008246.db2.gz WXDVNFGVDKBPBA-AWEZNQCLSA-N 1 2 284.319 1.903 20 30 CDEDLO Cc1nnc(O[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)o1 ZINC001226460109 942008248 /nfs/dbraw/zinc/00/82/48/942008248.db2.gz WXDVNFGVDKBPBA-AWEZNQCLSA-N 1 2 284.319 1.903 20 30 CDEDLO Cc1nc(C[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)oc1C ZINC001226617582 942035887 /nfs/dbraw/zinc/03/58/87/942035887.db2.gz KEWAQGOJCMXOTP-JTQLQIEISA-N 1 2 290.367 1.532 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Oc1cc(C#N)cc(C#N)c1 ZINC001226896350 942088998 /nfs/dbraw/zinc/08/89/98/942088998.db2.gz LYEIEIWJZCTDFG-GFCCVEGCSA-N 1 2 271.320 1.529 20 30 CDEDLO Cc1ccc([N+](=O)[O-])cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001226995093 942110754 /nfs/dbraw/zinc/11/07/54/942110754.db2.gz KWPJDDNTJCJEQX-KYFMZXIUSA-N 1 2 290.319 1.894 20 30 CDEDLO Cc1ccc([N+](=O)[O-])cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001226995093 942110758 /nfs/dbraw/zinc/11/07/58/942110758.db2.gz KWPJDDNTJCJEQX-KYFMZXIUSA-N 1 2 290.319 1.894 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(C#N)ccc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227058600 942123076 /nfs/dbraw/zinc/12/30/76/942123076.db2.gz TUQMXMJLZASHBO-HJTUNCCVSA-N 1 2 274.295 1.689 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(C#N)ccc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227058600 942123081 /nfs/dbraw/zinc/12/30/81/942123081.db2.gz TUQMXMJLZASHBO-HJTUNCCVSA-N 1 2 274.295 1.689 20 30 CDEDLO Cc1nc(C[NH+]2CCC(NC(=O)C#CC3CC3)CC2)co1 ZINC001227298991 942165338 /nfs/dbraw/zinc/16/53/38/942165338.db2.gz GYRZDHVMYBWLLU-UHFFFAOYSA-N 1 2 287.363 1.477 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCCC ZINC001230795671 942698905 /nfs/dbraw/zinc/69/89/05/942698905.db2.gz RJQPWKPCGMUQJK-CYBMUJFWSA-N 1 2 281.400 1.012 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC ZINC001230795671 942698907 /nfs/dbraw/zinc/69/89/07/942698907.db2.gz RJQPWKPCGMUQJK-CYBMUJFWSA-N 1 2 281.400 1.012 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccnn1C ZINC001231123343 942792028 /nfs/dbraw/zinc/79/20/28/942792028.db2.gz SRKLUMOLJIHBBY-CQSZACIVSA-N 1 2 276.384 1.419 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccnn1C ZINC001231123343 942792033 /nfs/dbraw/zinc/79/20/33/942792033.db2.gz SRKLUMOLJIHBBY-CQSZACIVSA-N 1 2 276.384 1.419 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cnoc1C ZINC001231170628 942807207 /nfs/dbraw/zinc/80/72/07/942807207.db2.gz ROFLHPXBHCLQHD-AWEZNQCLSA-N 1 2 277.368 1.982 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cnoc1C ZINC001231170628 942807209 /nfs/dbraw/zinc/80/72/09/942807209.db2.gz ROFLHPXBHCLQHD-AWEZNQCLSA-N 1 2 277.368 1.982 20 30 CDEDLO C=CCOc1cccc(C[NH+]2CCN(C(N)=O)CC2)c1 ZINC001231623489 942947840 /nfs/dbraw/zinc/94/78/40/942947840.db2.gz GQUABRMOOVCBMK-UHFFFAOYSA-N 1 2 275.352 1.448 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2O)CCC[C@@H]1O ZINC001232673748 943355008 /nfs/dbraw/zinc/35/50/08/943355008.db2.gz MIEDWIURXUJRSF-RISCZKNCSA-N 1 2 260.337 1.857 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2O)CCC[C@@H]1O ZINC001232673748 943355003 /nfs/dbraw/zinc/35/50/03/943355003.db2.gz MIEDWIURXUJRSF-RISCZKNCSA-N 1 2 260.337 1.857 20 30 CDEDLO CN(C)C(=O)CC[N@H+](C)Cc1cc(C#N)ccc1O ZINC001232678761 943359089 /nfs/dbraw/zinc/35/90/89/943359089.db2.gz OYWSHDRAQLJJJB-UHFFFAOYSA-N 1 2 261.325 1.174 20 30 CDEDLO CN(C)C(=O)CC[N@@H+](C)Cc1cc(C#N)ccc1O ZINC001232678761 943359095 /nfs/dbraw/zinc/35/90/95/943359095.db2.gz OYWSHDRAQLJJJB-UHFFFAOYSA-N 1 2 261.325 1.174 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC001232681574 943362329 /nfs/dbraw/zinc/36/23/29/943362329.db2.gz RELYWMIEIYEHPX-AWEZNQCLSA-N 1 2 283.335 1.692 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC001232681574 943362333 /nfs/dbraw/zinc/36/23/33/943362333.db2.gz RELYWMIEIYEHPX-AWEZNQCLSA-N 1 2 283.335 1.692 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232680663 943363416 /nfs/dbraw/zinc/36/34/16/943363416.db2.gz GBNFNJWVHVOUJQ-UHFFFAOYSA-N 1 2 299.330 1.543 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)n1 ZINC001232926032 943435794 /nfs/dbraw/zinc/43/57/94/943435794.db2.gz XHMLUCLCRQIDEC-AWEZNQCLSA-N 1 2 272.308 1.028 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)n1 ZINC001232926032 943435803 /nfs/dbraw/zinc/43/58/03/943435803.db2.gz XHMLUCLCRQIDEC-AWEZNQCLSA-N 1 2 272.308 1.028 20 30 CDEDLO CC(C)(C(N)=O)C1CC[NH+](Cc2[nH]ccc2C#N)CC1 ZINC001233047438 943475006 /nfs/dbraw/zinc/47/50/06/943475006.db2.gz ZENSPBGEAZFRLR-UHFFFAOYSA-N 1 2 274.368 1.610 20 30 CDEDLO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2[nH]ccc2C#N)C1 ZINC001233048815 943475640 /nfs/dbraw/zinc/47/56/40/943475640.db2.gz NIUXAMIZHSYLRM-CYBMUJFWSA-N 1 2 260.341 1.329 20 30 CDEDLO CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2[nH]ccc2C#N)C1 ZINC001233048815 943475643 /nfs/dbraw/zinc/47/56/43/943475643.db2.gz NIUXAMIZHSYLRM-CYBMUJFWSA-N 1 2 260.341 1.329 20 30 CDEDLO COc1cc(N2CCN(Cc3[nH]ccc3C#N)CC2)cc[nH+]1 ZINC001233049454 943477165 /nfs/dbraw/zinc/47/71/65/943477165.db2.gz PGOXLNDCPHFIES-UHFFFAOYSA-N 1 2 297.362 1.612 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c(O)c1 ZINC001233384364 943571457 /nfs/dbraw/zinc/57/14/57/943571457.db2.gz SMYDTYJOASDZBZ-IVMMDQJWSA-N 1 2 288.347 1.236 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c(O)c1 ZINC001233384364 943571462 /nfs/dbraw/zinc/57/14/62/943571462.db2.gz SMYDTYJOASDZBZ-IVMMDQJWSA-N 1 2 288.347 1.236 20 30 CDEDLO Cc1nocc1C[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234177343 943765541 /nfs/dbraw/zinc/76/55/41/943765541.db2.gz ACXTZUOEOMMCPH-OAHLLOKOSA-N 1 2 287.363 1.429 20 30 CDEDLO Cc1nocc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234177343 943765547 /nfs/dbraw/zinc/76/55/47/943765547.db2.gz ACXTZUOEOMMCPH-OAHLLOKOSA-N 1 2 287.363 1.429 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@@H]2CN(C)C(=O)C#CC2CC2)ncn1 ZINC001234179715 943767223 /nfs/dbraw/zinc/76/72/23/943767223.db2.gz YCJYBPVSULEXJE-MRXNPFEDSA-N 1 2 298.390 1.231 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)C#CC2CC2)ncn1 ZINC001234179715 943767226 /nfs/dbraw/zinc/76/72/26/943767226.db2.gz YCJYBPVSULEXJE-MRXNPFEDSA-N 1 2 298.390 1.231 20 30 CDEDLO Cc1ncn(C)c1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC001235541954 944194170 /nfs/dbraw/zinc/19/41/70/944194170.db2.gz ZQTOMZROGLMYIM-UHFFFAOYSA-N 1 2 295.390 1.922 20 30 CDEDLO Cn1cc(C[N@@H+]2CCn3nncc3C2)c2cc(C#N)ccc21 ZINC001237473467 944803789 /nfs/dbraw/zinc/80/37/89/944803789.db2.gz KMODOLDEPHPUJR-UHFFFAOYSA-N 1 2 292.346 1.657 20 30 CDEDLO Cn1cc(C[N@H+]2CCn3nncc3C2)c2cc(C#N)ccc21 ZINC001237473467 944803798 /nfs/dbraw/zinc/80/37/98/944803798.db2.gz KMODOLDEPHPUJR-UHFFFAOYSA-N 1 2 292.346 1.657 20 30 CDEDLO COc1cc(C[N@@H+]2CC[C@@H](C#N)C2)c(O)c(OC)c1 ZINC001237678503 944924348 /nfs/dbraw/zinc/92/43/48/944924348.db2.gz OVDKSZASQKTJEZ-JTQLQIEISA-N 1 2 262.309 1.755 20 30 CDEDLO COc1cc(C[N@H+]2CC[C@@H](C#N)C2)c(O)c(OC)c1 ZINC001237678503 944924357 /nfs/dbraw/zinc/92/43/57/944924357.db2.gz OVDKSZASQKTJEZ-JTQLQIEISA-N 1 2 262.309 1.755 20 30 CDEDLO Cc1[nH]c(CNC(=O)c2cc(C#N)ccc2F)[nH+]c1C ZINC001362416557 971249593 /nfs/dbraw/zinc/24/95/93/971249593.db2.gz DAGFBBAYIVEAKK-UHFFFAOYSA-N 1 2 272.283 1.967 20 30 CDEDLO N#C[C@H]1CC[C@H]([N@H+]2CCN(C3CCOCC3)C(=O)C2)C1 ZINC001254671458 947586430 /nfs/dbraw/zinc/58/64/30/947586430.db2.gz RWRJEXAPYMZVPB-JSGCOSHPSA-N 1 2 277.368 1.002 20 30 CDEDLO N#C[C@H]1CC[C@H]([N@@H+]2CCN(C3CCOCC3)C(=O)C2)C1 ZINC001254671458 947586439 /nfs/dbraw/zinc/58/64/39/947586439.db2.gz RWRJEXAPYMZVPB-JSGCOSHPSA-N 1 2 277.368 1.002 20 30 CDEDLO CC[C@H](CC#N)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001255169299 947761846 /nfs/dbraw/zinc/76/18/46/947761846.db2.gz CXRHEZRXBMXOQD-CYBMUJFWSA-N 1 2 299.382 1.421 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNC(=S)Nc2ccc(C#N)cc2)C1 ZINC001245934394 947855625 /nfs/dbraw/zinc/85/56/25/947855625.db2.gz YAJNDGOURLTMIA-ZDUSSCGKSA-N 1 2 290.392 1.175 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNC(=S)Nc2ccc(C#N)cc2)C1 ZINC001245934394 947855627 /nfs/dbraw/zinc/85/56/27/947855627.db2.gz YAJNDGOURLTMIA-ZDUSSCGKSA-N 1 2 290.392 1.175 20 30 CDEDLO C#CCN([C@@H]1CCc2ccccc21)[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246817231 948456047 /nfs/dbraw/zinc/45/60/47/948456047.db2.gz ORWUAPTUPIUNPO-BHYGNILZSA-N 1 2 298.386 1.513 20 30 CDEDLO N#Cc1cccc(-c2noc(CC[NH+]3CCOCC3)n2)c1 ZINC001247449007 948637397 /nfs/dbraw/zinc/63/73/97/948637397.db2.gz LYTQLVKVNJMMLM-UHFFFAOYSA-N 1 2 284.319 1.483 20 30 CDEDLO CC(C)(C)c1ccc(-c2noc([C@H]([NH3+])CO)n2)c(C#N)c1 ZINC001247492185 948645857 /nfs/dbraw/zinc/64/58/57/948645857.db2.gz AKKBKFBJJIQOPW-GFCCVEGCSA-N 1 2 286.335 1.898 20 30 CDEDLO COC(=O)CC[C@H](C)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001258367739 948795526 /nfs/dbraw/zinc/79/55/26/948795526.db2.gz OBDMNASKDHNXNU-GXSJLCMTSA-N 1 2 269.366 1.602 20 30 CDEDLO COC(=O)CC[C@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258367739 948795532 /nfs/dbraw/zinc/79/55/32/948795532.db2.gz OBDMNASKDHNXNU-GXSJLCMTSA-N 1 2 269.366 1.602 20 30 CDEDLO COC(=O)CC[C@H](C)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258367739 948795542 /nfs/dbraw/zinc/79/55/42/948795542.db2.gz OBDMNASKDHNXNU-GXSJLCMTSA-N 1 2 269.366 1.602 20 30 CDEDLO COC(=O)CC[C@H](C)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258367739 948795553 /nfs/dbraw/zinc/79/55/53/948795553.db2.gz OBDMNASKDHNXNU-GXSJLCMTSA-N 1 2 269.366 1.602 20 30 CDEDLO C=CCOC(=O)N1CC[NH+]([C@@H](C)CCC(=O)OCC)CC1 ZINC001258501041 948908738 /nfs/dbraw/zinc/90/87/38/948908738.db2.gz QKPWFXLCIOXBGT-ZDUSSCGKSA-N 1 2 298.383 1.658 20 30 CDEDLO C[C@H](O)[C@H]([NH3+])c1nc(-c2cc(F)cc(C#N)c2)no1 ZINC001249072744 949355669 /nfs/dbraw/zinc/35/56/69/949355669.db2.gz AMSOKLPEHXMOHJ-WKEGUHRASA-N 1 2 262.244 1.128 20 30 CDEDLO N#Cc1ccn2ncc(C[N@H+]3CC[C@](F)(CO)C3)c2c1 ZINC001249082016 949365653 /nfs/dbraw/zinc/36/56/53/949365653.db2.gz DOCBXBMFHGXIPL-CQSZACIVSA-N 1 2 274.299 1.112 20 30 CDEDLO N#Cc1ccn2ncc(C[N@@H+]3CC[C@](F)(CO)C3)c2c1 ZINC001249082016 949365672 /nfs/dbraw/zinc/36/56/72/949365672.db2.gz DOCBXBMFHGXIPL-CQSZACIVSA-N 1 2 274.299 1.112 20 30 CDEDLO C#Cc1cc(Nc2cnc3c(c2)NCCO3)cc[nH+]1 ZINC001249801377 949801426 /nfs/dbraw/zinc/80/14/26/949801426.db2.gz IWQNBCGZIBTPOH-UHFFFAOYSA-N 1 2 252.277 1.428 20 30 CDEDLO C=CCOC[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC001252469904 951318216 /nfs/dbraw/zinc/31/82/16/951318216.db2.gz DOOQMYLQINGRMH-RYUDHWBXSA-N 1 2 273.373 1.212 20 30 CDEDLO C=CCOC[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC001252469904 951318230 /nfs/dbraw/zinc/31/82/30/951318230.db2.gz DOOQMYLQINGRMH-RYUDHWBXSA-N 1 2 273.373 1.212 20 30 CDEDLO C=C[C@@](C)(O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001252547777 951433963 /nfs/dbraw/zinc/43/39/63/951433963.db2.gz LFCMWDDXKOTYSM-AEJSXWLSSA-N 1 2 271.254 1.261 20 30 CDEDLO C=C[C@@](C)(O)C[N@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001252547777 951433966 /nfs/dbraw/zinc/43/39/66/951433966.db2.gz LFCMWDDXKOTYSM-AEJSXWLSSA-N 1 2 271.254 1.261 20 30 CDEDLO C=C[C@](C)(O)C[NH2+][C@H](CCSC)C(=O)OCC ZINC001252575498 951467369 /nfs/dbraw/zinc/46/73/69/951467369.db2.gz CNLTVBHASPATEU-PWSUYJOCSA-N 1 2 261.387 1.198 20 30 CDEDLO C=C[C@@H](O)C[NH2+][C@@H](CC1CCCCC1)C(=O)OC ZINC001253603545 951989168 /nfs/dbraw/zinc/98/91/68/951989168.db2.gz XUYXVLDACKLCRX-OLZOCXBDSA-N 1 2 255.358 1.635 20 30 CDEDLO CC[N@H+](CCC#N)C[C@@H](O)COc1cccc(OC)c1 ZINC001253953540 952159680 /nfs/dbraw/zinc/15/96/80/952159680.db2.gz RBQOWGFIHDBQQQ-CYBMUJFWSA-N 1 2 278.352 1.670 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@@H](O)COc1cccc(OC)c1 ZINC001253953540 952159685 /nfs/dbraw/zinc/15/96/85/952159685.db2.gz RBQOWGFIHDBQQQ-CYBMUJFWSA-N 1 2 278.352 1.670 20 30 CDEDLO CCn1cc([C@@H](C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cn1 ZINC001364419004 954592225 /nfs/dbraw/zinc/59/22/25/954592225.db2.gz QWLMAIJZJYNWIM-ABAIWWIYSA-N 1 2 297.362 1.652 20 30 CDEDLO C[C@H](C(=O)NCCc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001328439952 955296426 /nfs/dbraw/zinc/29/64/26/955296426.db2.gz VURYWRGLMZXJKL-GFCCVEGCSA-N 1 2 268.320 1.675 20 30 CDEDLO C=C[C@@](C)(O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001329166803 955730652 /nfs/dbraw/zinc/73/06/52/955730652.db2.gz NSGIQDSAMZGIAR-SWLSCSKDSA-N 1 2 277.368 1.138 20 30 CDEDLO C=C(Cl)CN(C)CCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001422224503 955865575 /nfs/dbraw/zinc/86/55/75/955865575.db2.gz NLZMOXPMLDBFDB-UHFFFAOYSA-N 1 2 284.791 1.403 20 30 CDEDLO C=CC[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C(=O)OCC ZINC001329658545 956050615 /nfs/dbraw/zinc/05/06/15/956050615.db2.gz GTPJGMNOZZQWGA-VXGBXAGGSA-N 1 2 279.340 1.458 20 30 CDEDLO N#Cc1cnc(N2CC(n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC001306992325 956356230 /nfs/dbraw/zinc/35/62/30/956356230.db2.gz XNXKEDOBDUHHGK-UHFFFAOYSA-N 1 2 270.252 1.119 20 30 CDEDLO Cc1nnc(C[N@H+](C[C@H](O)CC#N)C(C)(C)C)o1 ZINC001307541548 956419358 /nfs/dbraw/zinc/41/93/58/956419358.db2.gz NEHCBWDHFURTEV-SNVBAGLBSA-N 1 2 252.318 1.253 20 30 CDEDLO Cc1nnc(C[N@@H+](C[C@H](O)CC#N)C(C)(C)C)o1 ZINC001307541548 956419362 /nfs/dbraw/zinc/41/93/62/956419362.db2.gz NEHCBWDHFURTEV-SNVBAGLBSA-N 1 2 252.318 1.253 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC001330982200 956740602 /nfs/dbraw/zinc/74/06/02/956740602.db2.gz PTXWSABNFLDBHR-AWEZNQCLSA-N 1 2 258.325 1.510 20 30 CDEDLO C=CCNC(=O)NC(=O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC001331889696 957318277 /nfs/dbraw/zinc/31/82/77/957318277.db2.gz CKRURKVIQPGKQF-UHFFFAOYSA-N 1 2 264.329 1.192 20 30 CDEDLO C#CCN(CC1CC1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC001319441071 958565806 /nfs/dbraw/zinc/56/58/06/958565806.db2.gz DAWZEOBFBBHEGF-UHFFFAOYSA-N 1 2 293.411 1.152 20 30 CDEDLO C#CCN(CC1CC1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC001319441071 958565817 /nfs/dbraw/zinc/56/58/17/958565817.db2.gz DAWZEOBFBBHEGF-UHFFFAOYSA-N 1 2 293.411 1.152 20 30 CDEDLO C=CC[C@H]([NH2+]C1CCC(NC(C)=O)CC1)C(=O)OCC ZINC001321150282 959618380 /nfs/dbraw/zinc/61/83/80/959618380.db2.gz UJCQXBFRZWDOOG-RUXDESIVSA-N 1 2 282.384 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)COCC2CC2)C1 ZINC001369801735 959872312 /nfs/dbraw/zinc/87/23/12/959872312.db2.gz WAKNTGBKBXVPEG-ZDUSSCGKSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)COCC2CC2)C1 ZINC001369801735 959872320 /nfs/dbraw/zinc/87/23/20/959872320.db2.gz WAKNTGBKBXVPEG-ZDUSSCGKSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C1CCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC1 ZINC001336502959 960370615 /nfs/dbraw/zinc/37/06/15/960370615.db2.gz HPUZGUWYZRGFNH-UHFFFAOYSA-N 1 2 288.395 1.984 20 30 CDEDLO C=C1CCN(c2cc(N3CCC(C)(O)CC3)nc[nH+]2)CC1 ZINC001336502959 960370622 /nfs/dbraw/zinc/37/06/22/960370622.db2.gz HPUZGUWYZRGFNH-UHFFFAOYSA-N 1 2 288.395 1.984 20 30 CDEDLO C#CC[N@H+](CC#CC)CCOC(=O)Cc1ccccc1 ZINC001559566791 960783382 /nfs/dbraw/zinc/78/33/82/960783382.db2.gz NPPHFBDXGCGVPV-UHFFFAOYSA-N 1 2 269.344 1.731 20 30 CDEDLO C#CC[N@@H+](CC#CC)CCOC(=O)Cc1ccccc1 ZINC001559566791 960783396 /nfs/dbraw/zinc/78/33/96/960783396.db2.gz NPPHFBDXGCGVPV-UHFFFAOYSA-N 1 2 269.344 1.731 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@H](C)C#N)[C@@H](C)c1ncccn1 ZINC001418710680 960935783 /nfs/dbraw/zinc/93/57/83/960935783.db2.gz ISRJDWCCVZTFDW-OLZOCXBDSA-N 1 2 289.383 1.525 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@H](C)C#N)[C@@H](C)c1ncccn1 ZINC001418710680 960935801 /nfs/dbraw/zinc/93/58/01/960935801.db2.gz ISRJDWCCVZTFDW-OLZOCXBDSA-N 1 2 289.383 1.525 20 30 CDEDLO N#C[C@@H]1CCC[C@H]([NH2+][C@@H](C(N)=O)c2ccccn2)C1 ZINC001560846722 961018579 /nfs/dbraw/zinc/01/85/79/961018579.db2.gz MJLXOQQJAVONGA-NTZNESFSSA-N 1 2 258.325 1.280 20 30 CDEDLO CN(Cc1cccc(C#N)c1)C(=O)CCc1[nH+]ccn1C ZINC001548623770 961516843 /nfs/dbraw/zinc/51/68/43/961516843.db2.gz SRJMVXZRQKAOHC-UHFFFAOYSA-N 1 2 282.347 1.883 20 30 CDEDLO C=C[C@H](COC)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC001338311742 961740097 /nfs/dbraw/zinc/74/00/97/961740097.db2.gz LDVNQHSFOLEIFB-DGCLKSJQSA-N 1 2 299.367 1.835 20 30 CDEDLO C[N@H+](CCNC(=O)c1ccnnc1)Cc1ccccc1C#N ZINC001420309866 962718277 /nfs/dbraw/zinc/71/82/77/962718277.db2.gz IBMSRODUXLULDX-UHFFFAOYSA-N 1 2 295.346 1.210 20 30 CDEDLO C[N@@H+](CCNC(=O)c1ccnnc1)Cc1ccccc1C#N ZINC001420309866 962718305 /nfs/dbraw/zinc/71/83/05/962718305.db2.gz IBMSRODUXLULDX-UHFFFAOYSA-N 1 2 295.346 1.210 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C[C@@H]1CCOC1 ZINC001420368768 962806636 /nfs/dbraw/zinc/80/66/36/962806636.db2.gz LGERVWIMAZJGCI-LBPRGKRZSA-N 1 2 274.792 1.604 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C[C@@H]1CCOC1 ZINC001420368768 962806649 /nfs/dbraw/zinc/80/66/49/962806649.db2.gz LGERVWIMAZJGCI-LBPRGKRZSA-N 1 2 274.792 1.604 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnc2[nH]ccc2c1 ZINC001437476577 962940929 /nfs/dbraw/zinc/94/09/29/962940929.db2.gz KDTUZXPTKRVRES-UHFFFAOYSA-N 1 2 292.770 1.929 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnc2[nH]ccc2c1 ZINC001437476577 962940941 /nfs/dbraw/zinc/94/09/41/962940941.db2.gz KDTUZXPTKRVRES-UHFFFAOYSA-N 1 2 292.770 1.929 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnns1 ZINC001437572476 963028436 /nfs/dbraw/zinc/02/84/36/963028436.db2.gz DUEQDXGBDCSWKG-UHFFFAOYSA-N 1 2 274.777 1.342 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnns1 ZINC001437572476 963028444 /nfs/dbraw/zinc/02/84/44/963028444.db2.gz DUEQDXGBDCSWKG-UHFFFAOYSA-N 1 2 274.777 1.342 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](CC)OCC)C1 ZINC001421110493 963459198 /nfs/dbraw/zinc/45/91/98/963459198.db2.gz GLGQLKUZOCQHSN-GFCCVEGCSA-N 1 2 274.792 1.602 20 30 CDEDLO C#CCN(C)c1nnc([C@@H]2CCC[N@@H+]2C)n1CC(=C)C ZINC001346180251 964971438 /nfs/dbraw/zinc/97/14/38/964971438.db2.gz YHIXICQGJYCBTD-ZDUSSCGKSA-N 1 2 273.384 1.690 20 30 CDEDLO C#CCN(C)c1nnc([C@@H]2CCC[N@H+]2C)n1CC(=C)C ZINC001346180251 964971443 /nfs/dbraw/zinc/97/14/43/964971443.db2.gz YHIXICQGJYCBTD-ZDUSSCGKSA-N 1 2 273.384 1.690 20 30 CDEDLO N#CC1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCC1 ZINC001557066031 965139667 /nfs/dbraw/zinc/13/96/67/965139667.db2.gz DVOJLJABAURCKE-LLVKDONJSA-N 1 2 258.325 1.256 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc2nsnc21 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C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCCO1 ZINC001444970076 966032582 /nfs/dbraw/zinc/03/25/82/966032582.db2.gz IZVZLTMMGSQGIJ-LBPRGKRZSA-N 1 2 274.792 1.698 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCCO1 ZINC001444970076 966032597 /nfs/dbraw/zinc/03/25/97/966032597.db2.gz IZVZLTMMGSQGIJ-LBPRGKRZSA-N 1 2 274.792 1.698 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)Cc1[nH]cc[nH+]1 ZINC001542430214 967227634 /nfs/dbraw/zinc/22/76/34/967227634.db2.gz KGHHDYOVDXDNOE-UHFFFAOYSA-N 1 2 256.265 1.471 20 30 CDEDLO Cc1nnn([NH+]=C[C@H](C)CNC(=O)OC(C)(C)C)c1C ZINC001353079057 967675473 /nfs/dbraw/zinc/67/54/73/967675473.db2.gz UCUYKJXGZYJGTO-SECBINFHSA-N 1 2 281.360 1.890 20 30 CDEDLO C=C[C@H](C)ONC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001519436102 970083090 /nfs/dbraw/zinc/08/30/90/970083090.db2.gz JVTPTMRNBZOQLZ-NSHDSACASA-N 1 2 278.356 1.815 20 30 CDEDLO Cc1cc(NC(=O)Cc2[nH]c[nH+]c2C)n(CCC#N)n1 ZINC001361680728 970413774 /nfs/dbraw/zinc/41/37/74/970413774.db2.gz HIEZUFPLEIFOBV-UHFFFAOYSA-N 1 2 272.312 1.318 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/nfs/dbraw/zinc/61/98/69/976619869.db2.gz OBIGJGAACZGNJQ-LLVKDONJSA-N 1 2 280.397 1.583 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)COC)C1 ZINC001391597935 976982757 /nfs/dbraw/zinc/98/27/57/976982757.db2.gz CREABKRMZRBBER-SNVBAGLBSA-N 1 2 291.189 1.074 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)COC)C1 ZINC001391597935 976982760 /nfs/dbraw/zinc/98/27/60/976982760.db2.gz CREABKRMZRBBER-SNVBAGLBSA-N 1 2 291.189 1.074 20 30 CDEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001132569169 1163376648 /nfs/dbraw/zinc/37/66/48/1163376648.db2.gz MCTFJRUNMMZEBG-DGCLKSJQSA-N 1 2 276.384 1.449 20 30 CDEDLO CC#CCCCC(=O)NCC[NH2+][C@H](C)c1nnc(CC)o1 ZINC001132593066 1163394355 /nfs/dbraw/zinc/39/43/55/1163394355.db2.gz PGNPBNYTPZYHAS-GFCCVEGCSA-N 1 2 292.383 1.592 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001132649685 1163425114 /nfs/dbraw/zinc/42/51/14/1163425114.db2.gz AHBMVXSWLXWMJM-JTQLQIEISA-N 1 2 266.345 1.186 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[NH2+]Cc1nccc(C)n1 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N#CCCOCC[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000590153276 342523445 /nfs/dbraw/zinc/52/34/45/342523445.db2.gz SPHFLZNSTVYIHF-UHFFFAOYSA-N 1 2 294.399 1.140 20 30 CDEDLO C=CCCCC[N@H+]1CC[C@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000590714165 342585591 /nfs/dbraw/zinc/58/55/91/342585591.db2.gz JMPDCCGCEYQHHL-QWHCGFSZSA-N 1 2 283.368 1.769 20 30 CDEDLO C=CCCCC[N@@H+]1CC[C@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000590714165 342585592 /nfs/dbraw/zinc/58/55/92/342585592.db2.gz JMPDCCGCEYQHHL-QWHCGFSZSA-N 1 2 283.368 1.769 20 30 CDEDLO C[C@@]1(O)CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000124910128 187161077 /nfs/dbraw/zinc/16/10/77/187161077.db2.gz PSEFDCSSCGQQMI-CYBMUJFWSA-N 1 2 279.365 1.405 20 30 CDEDLO C[C@@]1(O)CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000124910128 187161078 /nfs/dbraw/zinc/16/10/78/187161078.db2.gz PSEFDCSSCGQQMI-CYBMUJFWSA-N 1 2 279.365 1.405 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(OCCOC(C)C)CC1 ZINC000590763675 342593384 /nfs/dbraw/zinc/59/33/84/342593384.db2.gz PGNJTJGTJQSQQY-CQSZACIVSA-N 1 2 285.384 1.620 20 30 CDEDLO CC1(C#N)CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000591153853 342619905 /nfs/dbraw/zinc/61/99/05/342619905.db2.gz VDKYRIQKIDLLQX-UHFFFAOYSA-N 1 2 259.313 1.411 20 30 CDEDLO CC1(C#N)CCN(c2[nH+]cnc3c2OCCN3)CC1 ZINC000591153853 342619906 /nfs/dbraw/zinc/61/99/06/342619906.db2.gz VDKYRIQKIDLLQX-UHFFFAOYSA-N 1 2 259.313 1.411 20 30 CDEDLO CS(=O)(=O)c1cccc(C[NH2+]C[C@@H](C#N)CCC#N)c1 ZINC000591770495 342646162 /nfs/dbraw/zinc/64/61/62/342646162.db2.gz DCQMINSEELPTCH-CYBMUJFWSA-N 1 2 291.376 1.623 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000592151147 342668825 /nfs/dbraw/zinc/66/88/25/342668825.db2.gz NBKWKFMTJCZCLX-KRWDZBQOSA-N 1 2 296.374 1.782 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000592151147 342668826 /nfs/dbraw/zinc/66/88/26/342668826.db2.gz NBKWKFMTJCZCLX-KRWDZBQOSA-N 1 2 296.374 1.782 20 30 CDEDLO N#CC[C@]1(O)CCN(Cc2[nH+]ccn2Cc2ccccc2)C1 ZINC000592151147 342668827 /nfs/dbraw/zinc/66/88/27/342668827.db2.gz NBKWKFMTJCZCLX-KRWDZBQOSA-N 1 2 296.374 1.782 20 30 CDEDLO C=CCC[C@H]([NH2+]C[C@@H]1CNc2ccnn2C1)C(=O)OCC ZINC000592514864 342700886 /nfs/dbraw/zinc/70/08/86/342700886.db2.gz GBIKJAZDLCAOSN-OLZOCXBDSA-N 1 2 292.383 1.412 20 30 CDEDLO C=CCCCCNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000351693497 361867588 /nfs/dbraw/zinc/86/75/88/361867588.db2.gz PYAJMKYZNSBUKH-KGLIPLIRSA-N 1 2 283.416 1.751 20 30 CDEDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000593059681 342760744 /nfs/dbraw/zinc/76/07/44/342760744.db2.gz SGTUPPMNQIUTBJ-OLZOCXBDSA-N 1 2 279.384 1.438 20 30 CDEDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000593059681 342760745 /nfs/dbraw/zinc/76/07/45/342760745.db2.gz SGTUPPMNQIUTBJ-OLZOCXBDSA-N 1 2 279.384 1.438 20 30 CDEDLO CC[C@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)[C@@H](C)CO1 ZINC000593064892 342761360 /nfs/dbraw/zinc/76/13/60/342761360.db2.gz WIQRPGQYQGCUBG-KBPBESRZSA-N 1 2 292.383 1.142 20 30 CDEDLO CC[C@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@@H](C)CO1 ZINC000593064892 342761362 /nfs/dbraw/zinc/76/13/62/342761362.db2.gz WIQRPGQYQGCUBG-KBPBESRZSA-N 1 2 292.383 1.142 20 30 CDEDLO C=CCOc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000593155740 342774538 /nfs/dbraw/zinc/77/45/38/342774538.db2.gz XUWGTUXXQRNTMI-INIZCTEOSA-N 1 2 287.363 1.825 20 30 CDEDLO C[C@H](CC#N)[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000611728440 346862457 /nfs/dbraw/zinc/86/24/57/346862457.db2.gz UQSLUEQRUOKJOZ-LLVKDONJSA-N 1 2 281.381 1.329 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000085826188 539028815 /nfs/dbraw/zinc/02/88/15/539028815.db2.gz PXHBSOSNOYPRLB-LBPRGKRZSA-N 1 2 264.373 1.655 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000085826188 539028816 /nfs/dbraw/zinc/02/88/16/539028816.db2.gz PXHBSOSNOYPRLB-LBPRGKRZSA-N 1 2 264.373 1.655 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CCC[C@H]2C#N)C1 ZINC000332900242 539049870 /nfs/dbraw/zinc/04/98/70/539049870.db2.gz OLRSWWUGJBEHDO-XQQFMLRXSA-N 1 2 287.367 1.611 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N[C@]3(C#N)CCSC3)ccn12 ZINC000594257775 342885311 /nfs/dbraw/zinc/88/53/11/342885311.db2.gz QJDZQDLLPHITMO-AWEZNQCLSA-N 1 2 286.360 1.772 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+](C)CC(=O)N1CCCC1 ZINC000130423849 342226016 /nfs/dbraw/zinc/22/60/16/342226016.db2.gz GKVCCUSCDKJVGM-UHFFFAOYSA-N 1 2 287.363 1.621 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+](C)CC(=O)N1CCCC1 ZINC000130423849 342226017 /nfs/dbraw/zinc/22/60/17/342226017.db2.gz GKVCCUSCDKJVGM-UHFFFAOYSA-N 1 2 287.363 1.621 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccccc3)C2=O)C1 ZINC000594659319 342936107 /nfs/dbraw/zinc/93/61/07/342936107.db2.gz CMKUBXQZUQSTQB-HIFRSBDPSA-N 1 2 297.358 1.944 20 30 CDEDLO N#CC[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccccc3)C2=O)C1 ZINC000594659319 342936108 /nfs/dbraw/zinc/93/61/08/342936108.db2.gz CMKUBXQZUQSTQB-HIFRSBDPSA-N 1 2 297.358 1.944 20 30 CDEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc([C@@H](C)CC#N)n2)C1 ZINC000594733903 342949792 /nfs/dbraw/zinc/94/97/92/342949792.db2.gz 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/nfs/dbraw/zinc/10/84/67/343108467.db2.gz XQMHJMNLMWEXRL-GFCCVEGCSA-N 1 2 262.361 1.599 20 30 CDEDLO CN1CC[C@@H]([N@H+](C)Cc2cc(C#N)ccc2F)C1=O ZINC000265290043 362081508 /nfs/dbraw/zinc/08/15/08/362081508.db2.gz BCHMBDQCBYQGFV-CYBMUJFWSA-N 1 2 261.300 1.360 20 30 CDEDLO CN1CC[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1=O ZINC000265290043 362081514 /nfs/dbraw/zinc/08/15/14/362081514.db2.gz BCHMBDQCBYQGFV-CYBMUJFWSA-N 1 2 261.300 1.360 20 30 CDEDLO COc1cc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)ccc1C#N ZINC000300424887 362089634 /nfs/dbraw/zinc/08/96/34/362089634.db2.gz MAXWYFKXISWPDU-RISCZKNCSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1cc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)ccc1C#N ZINC000300424887 362089644 /nfs/dbraw/zinc/08/96/44/362089644.db2.gz MAXWYFKXISWPDU-RISCZKNCSA-N 1 2 276.336 1.148 20 30 CDEDLO CO[C@H]1C[NH+](Cc2cc(F)ccc2C#N)C[C@@H]1OC ZINC000300423676 362090789 /nfs/dbraw/zinc/09/07/89/362090789.db2.gz VDTKMTULKZKPRU-KBPBESRZSA-N 1 2 264.300 1.543 20 30 CDEDLO N#Cc1nc(NCCC[NH+]2CCOCC2)sc1Cl ZINC000596051084 343221068 /nfs/dbraw/zinc/22/10/68/343221068.db2.gz LCXSRGUPYUSWOJ-UHFFFAOYSA-N 1 2 286.788 1.224 20 30 CDEDLO CCc1nc(C#N)cc(N[C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000596173440 343259790 /nfs/dbraw/zinc/25/97/90/343259790.db2.gz VUOAVFDFXJGYIO-LBPRGKRZSA-N 1 2 294.362 1.418 20 30 CDEDLO N#CC1(CC(=O)NCCn2cc[nH+]c2)CCCCC1 ZINC000596794586 343395066 /nfs/dbraw/zinc/39/50/66/343395066.db2.gz VPSIOQSAHLVNHO-UHFFFAOYSA-N 1 2 260.341 1.863 20 30 CDEDLO CC(C)(C#N)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597940253 343673384 /nfs/dbraw/zinc/67/33/84/343673384.db2.gz GJCMZPYMCOQZNB-UHFFFAOYSA-N 1 2 272.352 1.848 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598465098 343806473 /nfs/dbraw/zinc/80/64/73/343806473.db2.gz PATDRWQARYRDSE-SECBINFHSA-N 1 2 257.297 1.419 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000598620088 343844734 /nfs/dbraw/zinc/84/47/34/343844734.db2.gz YFSRQOKTOITGQO-NEPJUHHUSA-N 1 2 277.372 1.632 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000598620088 343844735 /nfs/dbraw/zinc/84/47/35/343844735.db2.gz YFSRQOKTOITGQO-NEPJUHHUSA-N 1 2 277.372 1.632 20 30 CDEDLO Cc1ccc(-c2ccc(NCCOCCO)[nH+]c2)cc1C#N ZINC000600791825 349881768 /nfs/dbraw/zinc/88/17/68/349881768.db2.gz ICJLQLZLEQHLMD-UHFFFAOYSA-N 1 2 297.358 1.771 20 30 CDEDLO Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1CC1(C#N)CC1 ZINC000599443582 344050971 /nfs/dbraw/zinc/05/09/71/344050971.db2.gz BXOMKFLFYGCQQD-AWEZNQCLSA-N 1 2 282.351 1.394 20 30 CDEDLO N#Cc1ccc(NC(=O)CN2CCc3[nH+]c[nH]c3C2)cc1 ZINC000599429139 344056022 /nfs/dbraw/zinc/05/60/22/344056022.db2.gz HLKGJSVUHQQDQC-UHFFFAOYSA-N 1 2 281.319 1.278 20 30 CDEDLO N#CC[C@@]1(O)CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000601651791 344213058 /nfs/dbraw/zinc/21/30/58/344213058.db2.gz IGRRUEYJSHFSSO-MRXNPFEDSA-N 1 2 296.330 1.567 20 30 CDEDLO C[C@@H](C#N)Cn1[nH]c2c(c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000601935248 344285800 /nfs/dbraw/zinc/28/58/00/344285800.db2.gz RKUQEQCDVLFLCR-ZFWWWQNUSA-N 1 2 296.374 1.866 20 30 CDEDLO C[C@@H](C#N)Cn1[nH]c2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000601935248 344285803 /nfs/dbraw/zinc/28/58/03/344285803.db2.gz RKUQEQCDVLFLCR-ZFWWWQNUSA-N 1 2 296.374 1.866 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1CC1(CC#N)CC1 ZINC000602822251 344610432 /nfs/dbraw/zinc/61/04/32/344610432.db2.gz ZPXLSEYZINJNNR-RYUDHWBXSA-N 1 2 250.342 1.954 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1CC1(CC#N)CC1 ZINC000602822251 344610434 /nfs/dbraw/zinc/61/04/34/344610434.db2.gz ZPXLSEYZINJNNR-RYUDHWBXSA-N 1 2 250.342 1.954 20 30 CDEDLO N#CCC1(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)CC1 ZINC000602832788 344614407 /nfs/dbraw/zinc/61/44/07/344614407.db2.gz SBATXYQVSCTNFR-OLZOCXBDSA-N 1 2 250.342 1.560 20 30 CDEDLO N#CCC1(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)CC1 ZINC000602832788 344614409 /nfs/dbraw/zinc/61/44/09/344614409.db2.gz SBATXYQVSCTNFR-OLZOCXBDSA-N 1 2 250.342 1.560 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N1c2ccccc2C[C@@H]1C ZINC000602861704 344617282 /nfs/dbraw/zinc/61/72/82/344617282.db2.gz HUGWYBUPDLJFLB-NEPJUHHUSA-N 1 2 257.337 1.856 20 30 CDEDLO CCS(=O)(=O)C1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602817451 344607337 /nfs/dbraw/zinc/60/73/37/344607337.db2.gz HWIAUFRKBCRELU-UHFFFAOYSA-N 1 2 270.398 1.579 20 30 CDEDLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@](C)(C#N)C2)C1 ZINC000612155638 347063126 /nfs/dbraw/zinc/06/31/26/347063126.db2.gz XDSDGABMSWFMPR-HIFRSBDPSA-N 1 2 263.385 1.871 20 30 CDEDLO C[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@](C)(C#N)C2)C1 ZINC000612155638 347063129 /nfs/dbraw/zinc/06/31/29/347063129.db2.gz XDSDGABMSWFMPR-HIFRSBDPSA-N 1 2 263.385 1.871 20 30 CDEDLO CCCn1nccc1NC(=O)C[NH2+][C@H](CC)CC#N ZINC000602844032 344623150 /nfs/dbraw/zinc/62/31/50/344623150.db2.gz YEVJTQVTASUMTP-LLVKDONJSA-N 1 2 263.345 1.513 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccnn1C1CCCC1 ZINC000602867918 344639339 /nfs/dbraw/zinc/63/93/39/344639339.db2.gz FPHLVOBAARNKJS-LLVKDONJSA-N 1 2 275.356 1.828 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NC(=O)Nc1ccccc1 ZINC000602871201 344641703 /nfs/dbraw/zinc/64/17/03/344641703.db2.gz ZFIHXSVZYPXIDN-JTQLQIEISA-N 1 2 260.297 1.226 20 30 CDEDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612166736 347068450 /nfs/dbraw/zinc/06/84/50/347068450.db2.gz RNEFTMWPZDYEFO-SMDDNHRTSA-N 1 2 251.374 1.915 20 30 CDEDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612166736 347068454 /nfs/dbraw/zinc/06/84/54/347068454.db2.gz RNEFTMWPZDYEFO-SMDDNHRTSA-N 1 2 251.374 1.915 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H](C)O1 ZINC000249266411 362571732 /nfs/dbraw/zinc/57/17/32/362571732.db2.gz ZOYOGJNGXGSAKZ-QWRGUYRKSA-N 1 2 266.366 1.855 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H](C)O1 ZINC000249266411 362571739 /nfs/dbraw/zinc/57/17/39/362571739.db2.gz ZOYOGJNGXGSAKZ-QWRGUYRKSA-N 1 2 266.366 1.855 20 30 CDEDLO C#CC[N@H+](CC(=O)N1CCOCC1)Cc1ccc(F)cc1 ZINC000060168262 345625343 /nfs/dbraw/zinc/62/53/43/345625343.db2.gz YFSGEFKUCNLQLE-UHFFFAOYSA-N 1 2 290.338 1.120 20 30 CDEDLO C#CC[N@@H+](CC(=O)N1CCOCC1)Cc1ccc(F)cc1 ZINC000060168262 345625346 /nfs/dbraw/zinc/62/53/46/345625346.db2.gz YFSGEFKUCNLQLE-UHFFFAOYSA-N 1 2 290.338 1.120 20 30 CDEDLO Cc1nsc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1C#N ZINC000286225181 282437892 /nfs/dbraw/zinc/43/78/92/282437892.db2.gz DGODUBVPLULQGV-JQWIXIFHSA-N 1 2 292.408 1.623 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000610762375 346398423 /nfs/dbraw/zinc/39/84/23/346398423.db2.gz JXENYBJTIAEMFE-STQMWFEESA-N 1 2 285.384 1.356 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000610762375 346398428 /nfs/dbraw/zinc/39/84/28/346398428.db2.gz JXENYBJTIAEMFE-STQMWFEESA-N 1 2 285.384 1.356 20 30 CDEDLO C[C@H](O[NH+]=C(N)c1cccc(Cl)c1)C(=O)NC1CC1 ZINC000078534844 260300917 /nfs/dbraw/zinc/30/09/17/260300917.db2.gz DTBQPUOZSNFNQU-QMMMGPOBSA-N 1 2 281.743 1.644 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449652216 362764333 /nfs/dbraw/zinc/76/43/33/362764333.db2.gz PLJKTSRIPJDPER-QWRGUYRKSA-N 1 2 276.327 1.329 20 30 CDEDLO CC[N@@H+]1CCN(S(=O)(=O)CCCCC#N)C[C@H]1C ZINC000611083862 346601707 /nfs/dbraw/zinc/60/17/07/346601707.db2.gz GKVCWFCYGGDGKA-GFCCVEGCSA-N 1 2 273.402 1.036 20 30 CDEDLO CC[N@H+]1CCN(S(=O)(=O)CCCCC#N)C[C@H]1C ZINC000611083862 346601709 /nfs/dbraw/zinc/60/17/09/346601709.db2.gz GKVCWFCYGGDGKA-GFCCVEGCSA-N 1 2 273.402 1.036 20 30 CDEDLO C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611173640 346627233 /nfs/dbraw/zinc/62/72/33/346627233.db2.gz DXHWVTNRYBGOIP-GJZGRUSLSA-N 1 2 292.427 1.307 20 30 CDEDLO Cc1c(C[NH+]2CCN(CCC#N)CC2)cccc1[N+](=O)[O-] ZINC000611174010 346627373 /nfs/dbraw/zinc/62/73/73/346627373.db2.gz BPINKVJIGQAGAN-UHFFFAOYSA-N 1 2 288.351 1.935 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000450118134 362795252 /nfs/dbraw/zinc/79/52/52/362795252.db2.gz MIIQYNMIQDHARL-CQSZACIVSA-N 1 2 296.411 1.148 20 30 CDEDLO C=CC[N@@H+](Cc1nc(-c2ccc(OC)nn2)no1)C1CC1 ZINC000450646229 362842407 /nfs/dbraw/zinc/84/24/07/362842407.db2.gz RJANTWHYXADHLL-UHFFFAOYSA-N 1 2 287.323 1.686 20 30 CDEDLO C=CC[N@H+](Cc1nc(-c2ccc(OC)nn2)no1)C1CC1 ZINC000450646229 362842412 /nfs/dbraw/zinc/84/24/12/362842412.db2.gz RJANTWHYXADHLL-UHFFFAOYSA-N 1 2 287.323 1.686 20 30 CDEDLO C#C[C@@H](CC)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000491812919 347589475 /nfs/dbraw/zinc/58/94/75/347589475.db2.gz PHLOSQYRZBQRDA-VIFPVBQESA-N 1 2 288.273 1.656 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000053944581 347810942 /nfs/dbraw/zinc/81/09/42/347810942.db2.gz QTSIOLGZNPGUNH-UHFFFAOYSA-N 1 2 286.419 1.980 20 30 CDEDLO CC(C)(C#N)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000055035067 347838082 /nfs/dbraw/zinc/83/80/82/347838082.db2.gz YHIWLPGJWCJUJC-UHFFFAOYSA-N 1 2 277.393 1.942 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000619717693 348185046 /nfs/dbraw/zinc/18/50/46/348185046.db2.gz APGYVQSNJJBIBX-OLZOCXBDSA-N 1 2 296.411 1.588 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000619717693 348185048 /nfs/dbraw/zinc/18/50/48/348185048.db2.gz APGYVQSNJJBIBX-OLZOCXBDSA-N 1 2 296.411 1.588 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1cc(F)ccc1F ZINC000414122686 362920893 /nfs/dbraw/zinc/92/08/93/362920893.db2.gz GGUZNGHVXHOBQE-NSHDSACASA-N 1 2 270.279 1.550 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cc(F)ccc1F ZINC000414122686 362920898 /nfs/dbraw/zinc/92/08/98/362920898.db2.gz GGUZNGHVXHOBQE-NSHDSACASA-N 1 2 270.279 1.550 20 30 CDEDLO COc1cc(C#N)ccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414148652 362924736 /nfs/dbraw/zinc/92/47/36/362924736.db2.gz SXRKWMMWIYEJLN-CYBMUJFWSA-N 1 2 289.335 1.152 20 30 CDEDLO COc1cc(C#N)ccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414148652 362924743 /nfs/dbraw/zinc/92/47/43/362924743.db2.gz SXRKWMMWIYEJLN-CYBMUJFWSA-N 1 2 289.335 1.152 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc(F)c1C#N ZINC000414135024 362923299 /nfs/dbraw/zinc/92/32/99/362923299.db2.gz HYMKTRGVARDWAT-LLVKDONJSA-N 1 2 277.299 1.283 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc(F)c1C#N ZINC000414135024 362923306 /nfs/dbraw/zinc/92/33/06/362923306.db2.gz HYMKTRGVARDWAT-LLVKDONJSA-N 1 2 277.299 1.283 20 30 CDEDLO CCOc1ncccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000576163901 348487447 /nfs/dbraw/zinc/48/74/47/348487447.db2.gz FTHGEENSWUNZBB-AWEZNQCLSA-N 1 2 276.340 1.054 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615535454 348579035 /nfs/dbraw/zinc/57/90/35/348579035.db2.gz BVZVSKWFZMZDPE-GDBMZVCRSA-N 1 2 280.412 1.912 20 30 CDEDLO CC(C)C[C@H](C#N)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000615745576 348654664 /nfs/dbraw/zinc/65/46/64/348654664.db2.gz MJKDXSVXQZPDGF-NWDGAFQWSA-N 1 2 260.341 1.500 20 30 CDEDLO CCC[N@@H+](CC#N)CCC(=O)Nc1cc(C)on1 ZINC000058911543 348874136 /nfs/dbraw/zinc/87/41/36/348874136.db2.gz NUDFSNZLCQAAPS-UHFFFAOYSA-N 1 2 250.302 1.547 20 30 CDEDLO CCC[N@H+](CC#N)CCC(=O)Nc1cc(C)on1 ZINC000058911543 348874140 /nfs/dbraw/zinc/87/41/40/348874140.db2.gz NUDFSNZLCQAAPS-UHFFFAOYSA-N 1 2 250.302 1.547 20 30 CDEDLO CC[N@@H+](CC(=O)NCc1ccc(OC)cc1)C[C@H](C)C#N ZINC000064248872 348936679 /nfs/dbraw/zinc/93/66/79/348936679.db2.gz JFSXMIWZTYYGAM-CYBMUJFWSA-N 1 2 289.379 1.793 20 30 CDEDLO CC[N@H+](CC(=O)NCc1ccc(OC)cc1)C[C@H](C)C#N ZINC000064248872 348936682 /nfs/dbraw/zinc/93/66/82/348936682.db2.gz JFSXMIWZTYYGAM-CYBMUJFWSA-N 1 2 289.379 1.793 20 30 CDEDLO C=C[C@@H](O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@H](C)CO ZINC000616018420 349245694 /nfs/dbraw/zinc/24/56/94/349245694.db2.gz SIFNDZCXFIXATR-YMTOWFKASA-N 1 2 289.335 1.383 20 30 CDEDLO CCn1c2ccccc2[nH+]c1CCNc1cc(C#N)ncn1 ZINC000617944520 349366633 /nfs/dbraw/zinc/36/66/33/349366633.db2.gz VYQOXRLFMZIYJT-UHFFFAOYSA-N 1 2 292.346 1.794 20 30 CDEDLO CCCN1CCC[N@H+](Cc2cccc(C#N)n2)CC1=O ZINC000602630161 350133062 /nfs/dbraw/zinc/13/30/62/350133062.db2.gz LGURSKSFYFGRSP-UHFFFAOYSA-N 1 2 272.352 1.398 20 30 CDEDLO CCCN1CCC[N@@H+](Cc2cccc(C#N)n2)CC1=O ZINC000602630161 350133065 /nfs/dbraw/zinc/13/30/65/350133065.db2.gz LGURSKSFYFGRSP-UHFFFAOYSA-N 1 2 272.352 1.398 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2cccc(C#N)n2)[C@@H](C(N)=O)C1 ZINC000602626499 350133419 /nfs/dbraw/zinc/13/34/19/350133419.db2.gz ZERVMHVUBXBVQB-ZWNOBZJWSA-N 1 2 258.325 1.039 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2cccc(C#N)n2)[C@@H](C(N)=O)C1 ZINC000602626499 350133421 /nfs/dbraw/zinc/13/34/21/350133421.db2.gz ZERVMHVUBXBVQB-ZWNOBZJWSA-N 1 2 258.325 1.039 20 30 CDEDLO CS(=O)(=O)C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000311939906 350733047 /nfs/dbraw/zinc/73/30/47/350733047.db2.gz JIZQAHKYWAUHAS-UHFFFAOYSA-N 1 2 278.377 1.567 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000569840836 363133697 /nfs/dbraw/zinc/13/36/97/363133697.db2.gz PHZGULNIVSSJPE-FZMZJTMJSA-N 1 2 263.341 1.440 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000569840836 363133699 /nfs/dbraw/zinc/13/36/99/363133699.db2.gz PHZGULNIVSSJPE-FZMZJTMJSA-N 1 2 263.341 1.440 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1cc(C#N)ccc1F ZINC000271661392 191263675 /nfs/dbraw/zinc/26/36/75/191263675.db2.gz XXYKXRIJWGOLEI-ZDUSSCGKSA-N 1 2 291.370 1.850 20 30 CDEDLO CC[N@H+](CCOc1ccccc1C#N)CCS(C)(=O)=O ZINC000154497277 188145615 /nfs/dbraw/zinc/14/56/15/188145615.db2.gz KBDWGNNYZUECRG-UHFFFAOYSA-N 1 2 296.392 1.304 20 30 CDEDLO CC[N@@H+](CCOc1ccccc1C#N)CCS(C)(=O)=O ZINC000154497277 188145616 /nfs/dbraw/zinc/14/56/16/188145616.db2.gz KBDWGNNYZUECRG-UHFFFAOYSA-N 1 2 296.392 1.304 20 30 CDEDLO Cc1ccc2[nH+]c(CNC(=O)[C@]3(C#N)C[C@@H]3C)cn2c1 ZINC000336244486 363224970 /nfs/dbraw/zinc/22/49/70/363224970.db2.gz HNOAYECVSTZTJD-NHYWBVRUSA-N 1 2 268.320 1.809 20 30 CDEDLO C[N@H+](CCOc1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000036869956 363284699 /nfs/dbraw/zinc/28/46/99/363284699.db2.gz UPPUWIVOBPRNEL-ZDUSSCGKSA-N 1 2 294.376 1.056 20 30 CDEDLO C[N@@H+](CCOc1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000036869956 363284702 /nfs/dbraw/zinc/28/47/02/363284702.db2.gz UPPUWIVOBPRNEL-ZDUSSCGKSA-N 1 2 294.376 1.056 20 30 CDEDLO CC[C@](C)([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C(=O)OC ZINC000293339433 198605221 /nfs/dbraw/zinc/60/52/21/198605221.db2.gz XESHBTHRPNXFJA-HIFRSBDPSA-N 1 2 276.336 1.523 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)s1 ZINC000336417535 356172185 /nfs/dbraw/zinc/17/21/85/356172185.db2.gz RMBTYNNRJJIWJH-NSHDSACASA-N 1 2 275.377 1.930 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)s1 ZINC000336417535 356172188 /nfs/dbraw/zinc/17/21/88/356172188.db2.gz RMBTYNNRJJIWJH-NSHDSACASA-N 1 2 275.377 1.930 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2oc(C3CC3)nc2C)CC1 ZINC000273590975 192220358 /nfs/dbraw/zinc/22/03/58/192220358.db2.gz MQSCDEVTBLERLD-UHFFFAOYSA-N 1 2 287.363 1.642 20 30 CDEDLO Cc1cc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)C2)ccc1C#N ZINC000331132863 356610766 /nfs/dbraw/zinc/61/07/66/356610766.db2.gz JTHHIBKKQDOIAW-HNNXBMFYSA-N 1 2 292.404 1.876 20 30 CDEDLO Cc1cc(C[N@H+]2CCC[C@H](S(C)(=O)=O)C2)ccc1C#N ZINC000331132863 356610771 /nfs/dbraw/zinc/61/07/71/356610771.db2.gz JTHHIBKKQDOIAW-HNNXBMFYSA-N 1 2 292.404 1.876 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)CC(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000298545271 356887749 /nfs/dbraw/zinc/88/77/49/356887749.db2.gz NNMFBVXBCCBQDT-UHFFFAOYSA-N 1 2 290.363 1.944 20 30 CDEDLO C#CC(C)(C)[N@H+](C)CC(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000298545271 356887751 /nfs/dbraw/zinc/88/77/51/356887751.db2.gz NNMFBVXBCCBQDT-UHFFFAOYSA-N 1 2 290.363 1.944 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000299186968 356980761 /nfs/dbraw/zinc/98/07/61/356980761.db2.gz CHXCTCZTOYNIJA-AWEZNQCLSA-N 1 2 284.359 1.981 20 30 CDEDLO N#Cc1cnc(N2CCn3c[nH+]cc3C2)c(Cl)c1 ZINC000290636791 283234911 /nfs/dbraw/zinc/23/49/11/283234911.db2.gz HOBGOUUZCVTPDE-UHFFFAOYSA-N 1 2 259.700 1.823 20 30 CDEDLO N#Cc1ccccc1N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000120201112 357260442 /nfs/dbraw/zinc/26/04/42/357260442.db2.gz GLLUKCMKEOWMSQ-INIZCTEOSA-N 1 2 298.390 1.349 20 30 CDEDLO N#CCC[N@@H+](Cc1cnc2c(C#N)cnn2c1)CC1CC1 ZINC000580328982 357488577 /nfs/dbraw/zinc/48/85/77/357488577.db2.gz OZDDWBXGCAKAOS-UHFFFAOYSA-N 1 2 280.335 1.727 20 30 CDEDLO N#CCC[N@H+](Cc1cnc2c(C#N)cnn2c1)CC1CC1 ZINC000580328982 357488583 /nfs/dbraw/zinc/48/85/83/357488583.db2.gz OZDDWBXGCAKAOS-UHFFFAOYSA-N 1 2 280.335 1.727 20 30 CDEDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000334315132 357565628 /nfs/dbraw/zinc/56/56/28/357565628.db2.gz QJYWOGJQDIOBIG-CYBMUJFWSA-N 1 2 276.315 1.201 20 30 CDEDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000334315132 357565631 /nfs/dbraw/zinc/56/56/31/357565631.db2.gz QJYWOGJQDIOBIG-CYBMUJFWSA-N 1 2 276.315 1.201 20 30 CDEDLO COCCN1CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)CC1=O ZINC000187719690 357799350 /nfs/dbraw/zinc/79/93/50/357799350.db2.gz ZHJVEQLFSOUWLA-ZDUSSCGKSA-N 1 2 287.363 1.410 20 30 CDEDLO COCCN1CC[N@H+]([C@@H](C)c2cccc(C#N)c2)CC1=O ZINC000187719690 357799353 /nfs/dbraw/zinc/79/93/53/357799353.db2.gz ZHJVEQLFSOUWLA-ZDUSSCGKSA-N 1 2 287.363 1.410 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2ccc(C#N)cc2OC)C[C@@H](C)O1 ZINC000189456402 358012970 /nfs/dbraw/zinc/01/29/70/358012970.db2.gz APGQWOXCTRFLTR-IUODEOHRSA-N 1 2 290.363 1.803 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2OC)C[C@@H](C)O1 ZINC000189456402 358012973 /nfs/dbraw/zinc/01/29/73/358012973.db2.gz APGQWOXCTRFLTR-IUODEOHRSA-N 1 2 290.363 1.803 20 30 CDEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1sccc1C#N ZINC000335947292 358032809 /nfs/dbraw/zinc/03/28/09/358032809.db2.gz SAZYXERGWGDUHI-UWVGGRQHSA-N 1 2 263.366 1.784 20 30 CDEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1sccc1C#N ZINC000335947292 358032811 /nfs/dbraw/zinc/03/28/11/358032811.db2.gz SAZYXERGWGDUHI-UWVGGRQHSA-N 1 2 263.366 1.784 20 30 CDEDLO CC#CCN(C)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000294627298 199113533 /nfs/dbraw/zinc/11/35/33/199113533.db2.gz RTMRHWTWFYHEQF-UHFFFAOYSA-N 1 2 286.375 1.614 20 30 CDEDLO Cc1nc(NCCCCn2cc[nH+]c2)ccc1C#N ZINC000388999871 366429403 /nfs/dbraw/zinc/42/94/03/366429403.db2.gz FCZRTXOQKXHROL-UHFFFAOYSA-N 1 2 255.325 1.772 20 30 CDEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cccc(C#N)c1 ZINC000264909395 358760923 /nfs/dbraw/zinc/76/09/23/358760923.db2.gz DUNGKGXOTLNQHV-RYUDHWBXSA-N 1 2 280.393 1.812 20 30 CDEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000264909395 358760925 /nfs/dbraw/zinc/76/09/25/358760925.db2.gz DUNGKGXOTLNQHV-RYUDHWBXSA-N 1 2 280.393 1.812 20 30 CDEDLO CCOC(=O)C[N@H+](CCOc1ccccc1C#N)C1CC1 ZINC000098143186 358814609 /nfs/dbraw/zinc/81/46/09/358814609.db2.gz GAQKCIFMTKRFRN-UHFFFAOYSA-N 1 2 288.347 1.965 20 30 CDEDLO CCOC(=O)C[N@@H+](CCOc1ccccc1C#N)C1CC1 ZINC000098143186 358814614 /nfs/dbraw/zinc/81/46/14/358814614.db2.gz GAQKCIFMTKRFRN-UHFFFAOYSA-N 1 2 288.347 1.965 20 30 CDEDLO C=CCOCCCC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000079400271 359188382 /nfs/dbraw/zinc/18/83/82/359188382.db2.gz URFLSDFWKMWWPC-UHFFFAOYSA-N 1 2 287.363 1.976 20 30 CDEDLO C=CCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000265783094 359334628 /nfs/dbraw/zinc/33/46/28/359334628.db2.gz HFTSJIZIVXGPLA-UHFFFAOYSA-N 1 2 260.337 1.435 20 30 CDEDLO C#CCOc1ccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000265928172 359337746 /nfs/dbraw/zinc/33/77/46/359337746.db2.gz FGUDYOPLSCFZAD-CYBMUJFWSA-N 1 2 283.331 1.714 20 30 CDEDLO C#CC[N@@H+](CC)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000266902743 359347705 /nfs/dbraw/zinc/34/77/05/359347705.db2.gz HBPDNCYRBWPEJW-LBPRGKRZSA-N 1 2 255.325 1.678 20 30 CDEDLO C#CC[N@H+](CC)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000266902743 359347709 /nfs/dbraw/zinc/34/77/09/359347709.db2.gz HBPDNCYRBWPEJW-LBPRGKRZSA-N 1 2 255.325 1.678 20 30 CDEDLO COc1ccc(C[NH+]2CCN(CC#N)CC2)cc1OC ZINC000049869131 359518707 /nfs/dbraw/zinc/51/87/07/359518707.db2.gz QWSJRUPUGQKVMV-UHFFFAOYSA-N 1 2 275.352 1.345 20 30 CDEDLO C#CCN(C(=O)NCc1cn2ccc(C)cc2[nH+]1)C1CC1 ZINC000274167567 359492222 /nfs/dbraw/zinc/49/22/22/359492222.db2.gz VWXQQNSCPMDXPO-UHFFFAOYSA-N 1 2 282.347 1.950 20 30 CDEDLO C=CCOCCC[NH+]1CCN(C[C@H]2CCOC2)CC1 ZINC000348050507 359802330 /nfs/dbraw/zinc/80/23/30/359802330.db2.gz KDFZMYHGARHJEH-OAHLLOKOSA-N 1 2 268.401 1.233 20 30 CDEDLO C[N@@H+](CCC#N)CCOCCNC(=O)OC(C)(C)C ZINC000495847394 366541620 /nfs/dbraw/zinc/54/16/20/366541620.db2.gz CASMREJGSMSWBB-UHFFFAOYSA-N 1 2 271.361 1.373 20 30 CDEDLO C[N@H+](CCC#N)CCOCCNC(=O)OC(C)(C)C ZINC000495847394 366541626 /nfs/dbraw/zinc/54/16/26/366541626.db2.gz CASMREJGSMSWBB-UHFFFAOYSA-N 1 2 271.361 1.373 20 30 CDEDLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1CCC#N ZINC000495834061 366542172 /nfs/dbraw/zinc/54/21/72/366542172.db2.gz AGARRUMPHZRSGR-GFCCVEGCSA-N 1 2 253.346 1.891 20 30 CDEDLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1CCC#N ZINC000495834061 366542178 /nfs/dbraw/zinc/54/21/78/366542178.db2.gz AGARRUMPHZRSGR-GFCCVEGCSA-N 1 2 253.346 1.891 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000337229380 360047176 /nfs/dbraw/zinc/04/71/76/360047176.db2.gz RUNXSUUXWKQAOI-NSHDSACASA-N 1 2 286.734 1.404 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000348504281 360110273 /nfs/dbraw/zinc/11/02/73/360110273.db2.gz DVHAQODKVJNSSP-AWEZNQCLSA-N 1 2 267.373 1.153 20 30 CDEDLO C#CC[NH+]1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000122802234 360315703 /nfs/dbraw/zinc/31/57/03/360315703.db2.gz BDLPUUYZWDXRBO-UHFFFAOYSA-N 1 2 282.347 1.487 20 30 CDEDLO C[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000385864794 360444324 /nfs/dbraw/zinc/44/43/24/360444324.db2.gz IBSKMKXCBDSQEM-GXSJLCMTSA-N 1 2 279.365 1.261 20 30 CDEDLO C[C@H]1[C@@H](CO)CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000385864794 360444326 /nfs/dbraw/zinc/44/43/26/360444326.db2.gz IBSKMKXCBDSQEM-GXSJLCMTSA-N 1 2 279.365 1.261 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)c1ccc(Cl)c(C#N)c1 ZINC000544635165 360703291 /nfs/dbraw/zinc/70/32/91/360703291.db2.gz JGDZRJGAAQVSAY-UHFFFAOYSA-N 1 2 274.711 1.875 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338271775 360798015 /nfs/dbraw/zinc/79/80/15/360798015.db2.gz LNMFPJCORJGSGW-GFCCVEGCSA-N 1 2 254.374 1.568 20 30 CDEDLO C=C(Cl)CN1CC[NH+](Cc2cccnc2)CC1 ZINC000299635336 200813711 /nfs/dbraw/zinc/81/37/11/200813711.db2.gz KEPAXQSSCOXRRB-UHFFFAOYSA-N 1 2 251.761 1.952 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CC(C)(C)C#N ZINC000433301833 361230234 /nfs/dbraw/zinc/23/02/34/361230234.db2.gz WMSDHIQWTLMPKO-LLVKDONJSA-N 1 2 262.357 1.419 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CC(C)(C)C#N ZINC000433301833 361230239 /nfs/dbraw/zinc/23/02/39/361230239.db2.gz WMSDHIQWTLMPKO-LLVKDONJSA-N 1 2 262.357 1.419 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427988365 361315990 /nfs/dbraw/zinc/31/59/90/361315990.db2.gz CXFKWWVVZBRVEM-RYUDHWBXSA-N 1 2 263.341 1.295 20 30 CDEDLO CC1(C(=O)NCC(=O)NCC[NH+]2CCOCC2)CCCC1 ZINC000329391375 361498491 /nfs/dbraw/zinc/49/84/91/361498491.db2.gz VKYYDFHICVDVDH-UHFFFAOYSA-N 1 2 297.399 1.812 20 30 CDEDLO CN(Cc1ccc(C#N)cc1)C(=O)NCc1[nH+]ccn1C ZINC000264198607 364473346 /nfs/dbraw/zinc/47/33/46/364473346.db2.gz PPPWGCIXNWHCHT-UHFFFAOYSA-N 1 2 283.335 1.633 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)CCC)C1 ZINC001661015787 1172319642 /nfs/dbraw/zinc/31/96/42/1172319642.db2.gz OHQXUHTYANMFJQ-ZDUSSCGKSA-N 1 2 295.427 1.305 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)CCC)C1 ZINC001661015787 1172319645 /nfs/dbraw/zinc/31/96/45/1172319645.db2.gz OHQXUHTYANMFJQ-ZDUSSCGKSA-N 1 2 295.427 1.305 20 30 CDEDLO C[N@H+](CCNC(=O)OC(C)(C)C)C[C@@H](C#N)CCC#N ZINC000497046093 366864367 /nfs/dbraw/zinc/86/43/67/366864367.db2.gz MSDZVHXOVOYCGB-GFCCVEGCSA-N 1 2 280.372 1.886 20 30 CDEDLO C[N@@H+](CCNC(=O)OC(C)(C)C)C[C@@H](C#N)CCC#N ZINC000497046093 366864370 /nfs/dbraw/zinc/86/43/70/366864370.db2.gz MSDZVHXOVOYCGB-GFCCVEGCSA-N 1 2 280.372 1.886 20 30 CDEDLO CC#CC[C@@H](CO)NC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000645529871 364742379 /nfs/dbraw/zinc/74/23/79/364742379.db2.gz LKOALBDRVGBDFI-RYUDHWBXSA-N 1 2 278.356 1.038 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N[C@H](C)CCC)nn1 ZINC000640909121 364732920 /nfs/dbraw/zinc/73/29/20/364732920.db2.gz NRUQBHIEBDOORH-CHWSQXEVSA-N 1 2 291.399 1.257 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2cn3ccccc3c2C#N)[C@H](C(N)=O)C1 ZINC000187450965 364763260 /nfs/dbraw/zinc/76/32/60/364763260.db2.gz MVOMTRHDPSUGST-LRDDRELGSA-N 1 2 296.374 1.897 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)[C@H](C(N)=O)C1 ZINC000187450965 364763262 /nfs/dbraw/zinc/76/32/62/364763262.db2.gz MVOMTRHDPSUGST-LRDDRELGSA-N 1 2 296.374 1.897 20 30 CDEDLO N#Cc1ccc(F)c(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000153070009 367027502 /nfs/dbraw/zinc/02/75/02/367027502.db2.gz PIAYPZCWINCJKC-LBPRGKRZSA-N 1 2 298.321 1.773 20 30 CDEDLO C[C@@]1(F)CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000347389498 370847826 /nfs/dbraw/zinc/84/78/26/370847826.db2.gz RUIUBXQEKKNOOV-OAHLLOKOSA-N 1 2 275.327 1.608 20 30 CDEDLO C[C@@]1(F)CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000347389498 370847830 /nfs/dbraw/zinc/84/78/30/370847830.db2.gz RUIUBXQEKKNOOV-OAHLLOKOSA-N 1 2 275.327 1.608 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)CCC(=O)NCC(=O)c1ccccc1 ZINC000358049133 367391583 /nfs/dbraw/zinc/39/15/83/367391583.db2.gz OAEVLVNORQKZBE-ZDUSSCGKSA-N 1 2 287.363 1.610 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)CCC(=O)NCC(=O)c1ccccc1 ZINC000358049133 367391588 /nfs/dbraw/zinc/39/15/88/367391588.db2.gz OAEVLVNORQKZBE-ZDUSSCGKSA-N 1 2 287.363 1.610 20 30 CDEDLO C[C@@H](C(=O)N[C@@]1(C#N)CCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000358446609 367688970 /nfs/dbraw/zinc/68/89/70/367688970.db2.gz UPJJWJQVNKZIQO-SUMWQHHRSA-N 1 2 299.374 1.232 20 30 CDEDLO C[C@@H](C(=O)N[C@@]1(C#N)CCOC1)[N@H+]1CCc2ccccc2C1 ZINC000358446609 367688974 /nfs/dbraw/zinc/68/89/74/367688974.db2.gz UPJJWJQVNKZIQO-SUMWQHHRSA-N 1 2 299.374 1.232 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000358509353 367735634 /nfs/dbraw/zinc/73/56/34/367735634.db2.gz PZLBXMODEAFIPS-STQMWFEESA-N 1 2 251.374 1.725 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000358509353 367735640 /nfs/dbraw/zinc/73/56/40/367735640.db2.gz PZLBXMODEAFIPS-STQMWFEESA-N 1 2 251.374 1.725 20 30 CDEDLO C=C[C@H](CO)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000358546532 367765904 /nfs/dbraw/zinc/76/59/04/367765904.db2.gz QDZTWBHAWBDASS-CYBMUJFWSA-N 1 2 286.335 1.218 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@H](c1ncc[nH]1)c1ccccc1 ZINC000128952333 368537088 /nfs/dbraw/zinc/53/70/88/368537088.db2.gz DNESDDNXYMXIQW-AWEZNQCLSA-N 1 2 270.336 1.391 20 30 CDEDLO C=CCNC(=O)CN[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000128952333 368537092 /nfs/dbraw/zinc/53/70/92/368537092.db2.gz DNESDDNXYMXIQW-AWEZNQCLSA-N 1 2 270.336 1.391 20 30 CDEDLO CC1(C)CN(C(=O)c2ccc(C#N)s2)CC[N@@H+]1CCO ZINC000614894775 368588327 /nfs/dbraw/zinc/58/83/27/368588327.db2.gz JGYSYWULGFCWQH-UHFFFAOYSA-N 1 2 293.392 1.148 20 30 CDEDLO CC1(C)CN(C(=O)c2ccc(C#N)s2)CC[N@H+]1CCO ZINC000614894775 368588333 /nfs/dbraw/zinc/58/83/33/368588333.db2.gz JGYSYWULGFCWQH-UHFFFAOYSA-N 1 2 293.392 1.148 20 30 CDEDLO C=CCSCCNC(=O)NCCCCn1cc[nH+]c1 ZINC000543745386 368966069 /nfs/dbraw/zinc/96/60/69/368966069.db2.gz QEKBNJYMLSYBAE-UHFFFAOYSA-N 1 2 282.413 1.882 20 30 CDEDLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000026194852 369183487 /nfs/dbraw/zinc/18/34/87/369183487.db2.gz ICPXBMHNEBFECX-DOMZBBRYSA-N 1 2 287.363 1.996 20 30 CDEDLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000026194852 369183490 /nfs/dbraw/zinc/18/34/90/369183490.db2.gz ICPXBMHNEBFECX-DOMZBBRYSA-N 1 2 287.363 1.996 20 30 CDEDLO C=CCN(CC(F)(F)F)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276520518 193366061 /nfs/dbraw/zinc/36/60/61/193366061.db2.gz CMSKUXSPEIKEPO-ONEGZZNKSA-N 1 2 259.231 2.000 20 30 CDEDLO N#CC1(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)CC1 ZINC000564610017 370244234 /nfs/dbraw/zinc/24/42/34/370244234.db2.gz ZYLNRTDMKFYTRL-LBPRGKRZSA-N 1 2 297.424 1.084 20 30 CDEDLO N#CC1(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)CC1 ZINC000564610017 370244238 /nfs/dbraw/zinc/24/42/38/370244238.db2.gz ZYLNRTDMKFYTRL-LBPRGKRZSA-N 1 2 297.424 1.084 20 30 CDEDLO C=CCCCCCN(C)C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000569237920 371246879 /nfs/dbraw/zinc/24/68/79/371246879.db2.gz MYWXJVVSKNHONB-UHFFFAOYSA-N 1 2 292.383 1.573 20 30 CDEDLO C=CCCCCCN(C)C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000569237920 371246885 /nfs/dbraw/zinc/24/68/85/371246885.db2.gz MYWXJVVSKNHONB-UHFFFAOYSA-N 1 2 292.383 1.573 20 30 CDEDLO N#CCCC1CCN(C(=O)[C@H]([NH3+])c2cscn2)CC1 ZINC000578751206 372545237 /nfs/dbraw/zinc/54/52/37/372545237.db2.gz JJBXITKKAMSJQB-GFCCVEGCSA-N 1 2 278.381 1.685 20 30 CDEDLO Cc1noc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)n1 ZINC000348074418 372977910 /nfs/dbraw/zinc/97/79/10/372977910.db2.gz HRSINLWJEBHFQF-NXEZZACHSA-N 1 2 299.334 1.928 20 30 CDEDLO Cc1noc([C@H](C)[NH2+]CC(=O)NCc2cccc(C#N)c2)n1 ZINC000348092749 372992156 /nfs/dbraw/zinc/99/21/56/372992156.db2.gz AERVEPCRISTYIO-JTQLQIEISA-N 1 2 299.334 1.217 20 30 CDEDLO CC[N@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000157420117 284376631 /nfs/dbraw/zinc/37/66/31/284376631.db2.gz LVCQRTGZSFYICW-OAHLLOKOSA-N 1 2 295.379 1.686 20 30 CDEDLO CC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000157420117 284376633 /nfs/dbraw/zinc/37/66/33/284376633.db2.gz LVCQRTGZSFYICW-OAHLLOKOSA-N 1 2 295.379 1.686 20 30 CDEDLO CCN1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1=O ZINC000192217723 373604093 /nfs/dbraw/zinc/60/40/93/373604093.db2.gz WORGEWZYWAXBEC-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO CCN1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1=O ZINC000192217723 373604103 /nfs/dbraw/zinc/60/41/03/373604103.db2.gz WORGEWZYWAXBEC-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO COCCc1noc(C[NH+]2CCC(CC#N)CC2)n1 ZINC000583772668 373765395 /nfs/dbraw/zinc/76/53/95/373765395.db2.gz SOOFJLUIYZZRIA-UHFFFAOYSA-N 1 2 264.329 1.384 20 30 CDEDLO Cn1c[nH+]cc1C[S@@](=O)Cc1ccc(CC#N)cc1 ZINC000342253294 374010343 /nfs/dbraw/zinc/01/03/43/374010343.db2.gz VMNILBSNDUXNJJ-IBGZPJMESA-N 1 2 273.361 1.935 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000360416740 374013469 /nfs/dbraw/zinc/01/34/69/374013469.db2.gz LUSDBMBSHQTUDO-UHFFFAOYSA-N 1 2 284.294 1.751 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000360416740 374013478 /nfs/dbraw/zinc/01/34/78/374013478.db2.gz LUSDBMBSHQTUDO-UHFFFAOYSA-N 1 2 284.294 1.751 20 30 CDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ncc(C#N)cc1F ZINC000413281859 374205043 /nfs/dbraw/zinc/20/50/43/374205043.db2.gz OBKDYUNPAGFQPM-AAEUAGOBSA-N 1 2 290.342 1.392 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@H](O)[C@@H](C)C2)c(C#N)c1C ZINC000351794680 374275284 /nfs/dbraw/zinc/27/52/84/374275284.db2.gz FMXNVQCVIJZGIK-UFBFGSQYSA-N 1 2 277.324 1.019 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2C[C@H](O)[C@@H](C)C2)c(C#N)c1C ZINC000351794680 374275291 /nfs/dbraw/zinc/27/52/91/374275291.db2.gz FMXNVQCVIJZGIK-UFBFGSQYSA-N 1 2 277.324 1.019 20 30 CDEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)Cn1cc[nH+]c1 ZINC000065949889 374296243 /nfs/dbraw/zinc/29/62/43/374296243.db2.gz KMOPPKYNFUZQKI-UHFFFAOYSA-N 1 2 292.302 1.579 20 30 CDEDLO C=CCCCN(C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418715334 374521618 /nfs/dbraw/zinc/52/16/18/374521618.db2.gz BHTJSCQXWMFNLZ-LLVKDONJSA-N 1 2 275.343 1.839 20 30 CDEDLO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000449528950 374818152 /nfs/dbraw/zinc/81/81/52/374818152.db2.gz TYEKUUDKHWLICD-OAHLLOKOSA-N 1 2 292.404 1.957 20 30 CDEDLO CS(=O)(=O)C[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000449528950 374818156 /nfs/dbraw/zinc/81/81/56/374818156.db2.gz TYEKUUDKHWLICD-OAHLLOKOSA-N 1 2 292.404 1.957 20 30 CDEDLO C[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)CC[S@@](=O)C1 ZINC000277548914 374793639 /nfs/dbraw/zinc/79/36/39/374793639.db2.gz SPZFCZXZKDMHIX-RNODOKPDSA-N 1 2 292.404 1.637 20 30 CDEDLO C[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CC[S@@](=O)C1 ZINC000277548914 374793642 /nfs/dbraw/zinc/79/36/42/374793642.db2.gz SPZFCZXZKDMHIX-RNODOKPDSA-N 1 2 292.404 1.637 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000042569796 374846080 /nfs/dbraw/zinc/84/60/80/374846080.db2.gz CHIMVYSWIJYQEP-CHWSQXEVSA-N 1 2 254.374 1.520 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000042569796 374846084 /nfs/dbraw/zinc/84/60/84/374846084.db2.gz CHIMVYSWIJYQEP-CHWSQXEVSA-N 1 2 254.374 1.520 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000280676143 375011963 /nfs/dbraw/zinc/01/19/63/375011963.db2.gz YWIDFLXRZZYIFN-UHFFFAOYSA-N 1 2 258.281 1.465 20 30 CDEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CCn2cc[nH+]c2C1 ZINC000332568664 375036128 /nfs/dbraw/zinc/03/61/28/375036128.db2.gz CBXSLMANOCCFMC-LBPRGKRZSA-N 1 2 296.330 1.564 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCc2cncnc2C1 ZINC000332529325 375036592 /nfs/dbraw/zinc/03/65/92/375036592.db2.gz UOZKJYOFRSGHQI-UHFFFAOYSA-N 1 2 280.331 1.915 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCc2cncnc2C1 ZINC000332529325 375036594 /nfs/dbraw/zinc/03/65/94/375036594.db2.gz UOZKJYOFRSGHQI-UHFFFAOYSA-N 1 2 280.331 1.915 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCOC(C)(C)C1 ZINC000030195644 375565513 /nfs/dbraw/zinc/56/55/13/375565513.db2.gz WCPXNHMCMDAJER-GFCCVEGCSA-N 1 2 287.363 1.996 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCOC(C)(C)C1 ZINC000030195644 375565518 /nfs/dbraw/zinc/56/55/18/375565518.db2.gz WCPXNHMCMDAJER-GFCCVEGCSA-N 1 2 287.363 1.996 20 30 CDEDLO N#Cc1c(F)cccc1C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000495902113 375692086 /nfs/dbraw/zinc/69/20/86/375692086.db2.gz BBTLAWBAGQGPGI-UHFFFAOYSA-N 1 2 289.310 1.772 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000135028020 375672512 /nfs/dbraw/zinc/67/25/12/375672512.db2.gz BENHIFSZJNNTOD-ZFWWWQNUSA-N 1 2 267.417 1.341 20 30 CDEDLO O=C(N[C@@H]1CCCCNC1=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328907454 376021839 /nfs/dbraw/zinc/02/18/39/376021839.db2.gz CDEYGUGVTJLILS-CMPLNLGQSA-N 1 2 276.340 1.911 20 30 CDEDLO C=CC[N@H+](CC(=O)NCC#N)Cc1ccc(OC)cc1 ZINC000076669151 377473859 /nfs/dbraw/zinc/47/38/59/377473859.db2.gz NXRDEUJCRABJNN-UHFFFAOYSA-N 1 2 273.336 1.323 20 30 CDEDLO C=CC[N@@H+](CC(=O)NCC#N)Cc1ccc(OC)cc1 ZINC000076669151 377473866 /nfs/dbraw/zinc/47/38/66/377473866.db2.gz NXRDEUJCRABJNN-UHFFFAOYSA-N 1 2 273.336 1.323 20 30 CDEDLO C#CCCCCNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000130579352 377613233 /nfs/dbraw/zinc/61/32/33/377613233.db2.gz MELAYSPKMBKNAW-AWEZNQCLSA-N 1 2 288.395 1.901 20 30 CDEDLO C#CCCCCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000130579352 377613243 /nfs/dbraw/zinc/61/32/43/377613243.db2.gz MELAYSPKMBKNAW-AWEZNQCLSA-N 1 2 288.395 1.901 20 30 CDEDLO C#CCC[NH+]1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000282190179 378026737 /nfs/dbraw/zinc/02/67/37/378026737.db2.gz PDFUTJMGCGXWHV-UHFFFAOYSA-N 1 2 266.326 1.197 20 30 CDEDLO CC(C)(CCC#N)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000563814827 378184727 /nfs/dbraw/zinc/18/47/27/378184727.db2.gz XEPIZYVHPDWXQE-GFCCVEGCSA-N 1 2 274.368 1.892 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000192236587 378177784 /nfs/dbraw/zinc/17/77/84/378177784.db2.gz FNJGCVACWUNDLU-SECBINFHSA-N 1 2 251.355 1.652 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000192236587 378177791 /nfs/dbraw/zinc/17/77/91/378177791.db2.gz FNJGCVACWUNDLU-SECBINFHSA-N 1 2 251.355 1.652 20 30 CDEDLO C=C(C)C[N@H+](CC)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290277558 378370573 /nfs/dbraw/zinc/37/05/73/378370573.db2.gz LYMNRQSQRXNJFP-UHFFFAOYSA-N 1 2 293.392 1.625 20 30 CDEDLO C=C(C)C[N@@H+](CC)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290277558 378370576 /nfs/dbraw/zinc/37/05/76/378370576.db2.gz LYMNRQSQRXNJFP-UHFFFAOYSA-N 1 2 293.392 1.625 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccnc(Br)c1 ZINC000292909377 378527365 /nfs/dbraw/zinc/52/73/65/378527365.db2.gz WTXYKECTBSTHCV-UHFFFAOYSA-N 1 2 263.138 1.913 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1cccc(C(=O)NCC)c1 ZINC000293164766 378544340 /nfs/dbraw/zinc/54/43/40/378544340.db2.gz OXNRTBQAKBLBAJ-UHFFFAOYSA-N 1 2 287.363 1.330 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1cccc(C(=O)NCC)c1 ZINC000293164766 378544344 /nfs/dbraw/zinc/54/43/44/378544344.db2.gz OXNRTBQAKBLBAJ-UHFFFAOYSA-N 1 2 287.363 1.330 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CCc3c(nnn3CCOC)C2)cc1 ZINC000293646771 378594751 /nfs/dbraw/zinc/59/47/51/378594751.db2.gz MQIXNPOKPFAFNE-UHFFFAOYSA-N 1 2 296.374 1.464 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CCc3c(nnn3CCOC)C2)cc1 ZINC000293646771 378594752 /nfs/dbraw/zinc/59/47/52/378594752.db2.gz MQIXNPOKPFAFNE-UHFFFAOYSA-N 1 2 296.374 1.464 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000343912899 379018646 /nfs/dbraw/zinc/01/86/46/379018646.db2.gz IJIVBLSGBXYTJH-MRXNPFEDSA-N 1 2 298.427 1.442 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000343912899 379018650 /nfs/dbraw/zinc/01/86/50/379018650.db2.gz IJIVBLSGBXYTJH-MRXNPFEDSA-N 1 2 298.427 1.442 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000278642650 194081472 /nfs/dbraw/zinc/08/14/72/194081472.db2.gz NZPGCUVJNDIXTB-CYBMUJFWSA-N 1 2 281.381 1.397 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000278642650 194081475 /nfs/dbraw/zinc/08/14/75/194081475.db2.gz NZPGCUVJNDIXTB-CYBMUJFWSA-N 1 2 281.381 1.397 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000278692480 194106650 /nfs/dbraw/zinc/10/66/50/194106650.db2.gz QXAWTZSNTCPVKV-UHFFFAOYSA-N 1 2 268.320 1.791 20 30 CDEDLO CCN(CC)C(=O)C[N@H+](C)Cc1ccccc1C#N ZINC000042313486 379563732 /nfs/dbraw/zinc/56/37/32/379563732.db2.gz JHTUWXRRXYEDAU-UHFFFAOYSA-N 1 2 259.353 1.858 20 30 CDEDLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccccc1C#N ZINC000042313486 379563740 /nfs/dbraw/zinc/56/37/40/379563740.db2.gz JHTUWXRRXYEDAU-UHFFFAOYSA-N 1 2 259.353 1.858 20 30 CDEDLO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2CC#Cc1ccc(F)cc1 ZINC000336120047 296381037 /nfs/dbraw/zinc/38/10/37/296381037.db2.gz ATZXNSVBPARYEN-HUUCEWRRSA-N 1 2 272.323 1.388 20 30 CDEDLO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2CC#Cc1ccc(F)cc1 ZINC000336120047 296381038 /nfs/dbraw/zinc/38/10/38/296381038.db2.gz ATZXNSVBPARYEN-HUUCEWRRSA-N 1 2 272.323 1.388 20 30 CDEDLO C[C@H](CN1CCCC1=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC000329230977 227369422 /nfs/dbraw/zinc/36/94/22/227369422.db2.gz DVXUUXSJPRQVIM-SNVBAGLBSA-N 1 2 264.329 1.310 20 30 CDEDLO C[C@H](CN1CCCC1=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC000329230977 227369427 /nfs/dbraw/zinc/36/94/27/227369427.db2.gz DVXUUXSJPRQVIM-SNVBAGLBSA-N 1 2 264.329 1.310 20 30 CDEDLO CC(C)C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000286687395 196677469 /nfs/dbraw/zinc/67/74/69/196677469.db2.gz ZCZNVGSWKXIOLF-UHFFFAOYSA-N 1 2 297.380 1.114 20 30 CDEDLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CCCCNC1=O ZINC000329235525 227371349 /nfs/dbraw/zinc/37/13/49/227371349.db2.gz IQWZWCLZNVNRJY-VIFPVBQESA-N 1 2 250.302 1.808 20 30 CDEDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000095020931 184916985 /nfs/dbraw/zinc/91/69/85/184916985.db2.gz ZDZCANIBVCDOOG-LLVKDONJSA-N 1 2 262.284 1.692 20 30 CDEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000095020931 184916986 /nfs/dbraw/zinc/91/69/86/184916986.db2.gz ZDZCANIBVCDOOG-LLVKDONJSA-N 1 2 262.284 1.692 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CCCC[C@H]2C)C1=O ZINC000281518829 195273049 /nfs/dbraw/zinc/27/30/49/195273049.db2.gz ZEAFIDVBYKPAKS-KGLIPLIRSA-N 1 2 293.411 1.106 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CCCC[C@H]2C)C1=O ZINC000281518829 195273051 /nfs/dbraw/zinc/27/30/51/195273051.db2.gz ZEAFIDVBYKPAKS-KGLIPLIRSA-N 1 2 293.411 1.106 20 30 CDEDLO C=CCN(CC(=O)OCC)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000363778622 390489270 /nfs/dbraw/zinc/48/92/70/390489270.db2.gz KTPLGEQTQDAFOW-GFCCVEGCSA-N 1 2 291.351 1.023 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000171832819 390945652 /nfs/dbraw/zinc/94/56/52/390945652.db2.gz AZQBOCPSCLZIFF-DTWKUNHWSA-N 1 2 263.263 1.384 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000171832819 390945653 /nfs/dbraw/zinc/94/56/53/390945653.db2.gz AZQBOCPSCLZIFF-DTWKUNHWSA-N 1 2 263.263 1.384 20 30 CDEDLO CC(C)[C@@H](C(=O)N[C@@H](C)C#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000161376844 390959089 /nfs/dbraw/zinc/95/90/89/390959089.db2.gz MRJRWVRVDAYNQC-RVMXOQNASA-N 1 2 267.373 1.148 20 30 CDEDLO CC(C)[C@@H](C(=O)N[C@@H](C)C#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000161376844 390959090 /nfs/dbraw/zinc/95/90/90/390959090.db2.gz MRJRWVRVDAYNQC-RVMXOQNASA-N 1 2 267.373 1.148 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCOC2(CCC2)C1)C1CC1 ZINC000154190316 390912071 /nfs/dbraw/zinc/91/20/71/390912071.db2.gz HMKCJJUKDJXLGW-CQSZACIVSA-N 1 2 277.368 1.050 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCOC2(CCC2)C1)C1CC1 ZINC000154190316 390912073 /nfs/dbraw/zinc/91/20/73/390912073.db2.gz HMKCJJUKDJXLGW-CQSZACIVSA-N 1 2 277.368 1.050 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cccnc1C1CC1 ZINC000329572002 391018731 /nfs/dbraw/zinc/01/87/31/391018731.db2.gz QYQOXXTZYNHOCP-GFCCVEGCSA-N 1 2 289.379 1.984 20 30 CDEDLO Cc1cc(N2CC[C@H](NC(=O)NC3CC3)C2)nc[nH+]1 ZINC000329592017 391022303 /nfs/dbraw/zinc/02/23/03/391022303.db2.gz UHJDEHAOEGWYNG-NSHDSACASA-N 1 2 261.329 1.030 20 30 CDEDLO CCc1noc([C@H](C)O[NH+]=C(N)Cc2csc(C)n2)n1 ZINC000174113830 391116691 /nfs/dbraw/zinc/11/66/91/391116691.db2.gz CDKRMUVTDGGXHN-ZETCQYMHSA-N 1 2 295.368 1.989 20 30 CDEDLO N#CCC1(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000373781978 391131633 /nfs/dbraw/zinc/13/16/33/391131633.db2.gz JOUMKFHRIUCZAR-CYBMUJFWSA-N 1 2 299.378 1.653 20 30 CDEDLO C=C[C@@H](CO)[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000352452347 391143235 /nfs/dbraw/zinc/14/32/35/391143235.db2.gz FDCASTWQASAMAB-VIFPVBQESA-N 1 2 296.733 1.696 20 30 CDEDLO CC#CCCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000440702717 391159618 /nfs/dbraw/zinc/15/96/18/391159618.db2.gz FRRWJXFETFKUCU-UHFFFAOYSA-N 1 2 296.330 1.340 20 30 CDEDLO C[C@@H](CC#N)NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000352747350 533404526 /nfs/dbraw/zinc/40/45/26/533404526.db2.gz BSBOKVJFKAPGEZ-NSHDSACASA-N 1 2 284.323 1.750 20 30 CDEDLO C[C@H](CC#N)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266800289 391180402 /nfs/dbraw/zinc/18/04/02/391180402.db2.gz CVOXIBQFALNUKX-CYBMUJFWSA-N 1 2 287.363 1.551 20 30 CDEDLO CCCCNC(=O)[C@H](C)O[NH+]=C(N)c1ccc(OC)cc1 ZINC000178140837 391182225 /nfs/dbraw/zinc/18/22/25/391182225.db2.gz VJESTVDKLDDGMC-NSHDSACASA-N 1 2 293.367 1.637 20 30 CDEDLO C#CCCCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376300744 391221494 /nfs/dbraw/zinc/22/14/94/391221494.db2.gz POSCHDHVTCSMIM-LSDHHAIUSA-N 1 2 293.411 1.295 20 30 CDEDLO C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+](C)C[C@H](C)C#N ZINC000269566541 391251599 /nfs/dbraw/zinc/25/15/99/391251599.db2.gz MJWADNDZQFVGGQ-VXGBXAGGSA-N 1 2 288.351 1.815 20 30 CDEDLO C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@H+](C)C[C@H](C)C#N ZINC000269566541 391251603 /nfs/dbraw/zinc/25/16/03/391251603.db2.gz MJWADNDZQFVGGQ-VXGBXAGGSA-N 1 2 288.351 1.815 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)OCC ZINC000345440452 391215351 /nfs/dbraw/zinc/21/53/51/391215351.db2.gz ZGYJZBGCYARQCY-HUUCEWRRSA-N 1 2 298.427 1.537 20 30 CDEDLO C[N@H+](CCC(F)(F)F)CC(=O)NC1(C#N)CCC1 ZINC000346901568 391375843 /nfs/dbraw/zinc/37/58/43/391375843.db2.gz KKTOUKOVPVDNON-UHFFFAOYSA-N 1 2 263.263 1.433 20 30 CDEDLO C[N@@H+](CCC(F)(F)F)CC(=O)NC1(C#N)CCC1 ZINC000346901568 391375847 /nfs/dbraw/zinc/37/58/47/391375847.db2.gz KKTOUKOVPVDNON-UHFFFAOYSA-N 1 2 263.263 1.433 20 30 CDEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCSC1 ZINC000328918003 391394267 /nfs/dbraw/zinc/39/42/67/391394267.db2.gz BCUSLVCTGJANGX-RKDXNWHRSA-N 1 2 251.355 1.977 20 30 CDEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCSC1 ZINC000328918003 391394270 /nfs/dbraw/zinc/39/42/70/391394270.db2.gz BCUSLVCTGJANGX-RKDXNWHRSA-N 1 2 251.355 1.977 20 30 CDEDLO COC(=O)C[C@](C)([NH2+]CCC#N)c1cccc(OC)c1 ZINC000411622379 391491065 /nfs/dbraw/zinc/49/10/65/391491065.db2.gz YNOQAQZDNPIOIZ-HNNXBMFYSA-N 1 2 276.336 1.977 20 30 CDEDLO CC[C@@H]1CCCCN1C(=O)C[N@H+](C)CCNC(=O)N(C)C ZINC000330621533 391460877 /nfs/dbraw/zinc/46/08/77/391460877.db2.gz MIEBVCNHSMKUIB-CYBMUJFWSA-N 1 2 298.431 1.185 20 30 CDEDLO CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000330621533 391460878 /nfs/dbraw/zinc/46/08/78/391460878.db2.gz MIEBVCNHSMKUIB-CYBMUJFWSA-N 1 2 298.431 1.185 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC#Cc1ccccc1 ZINC000583880971 391482179 /nfs/dbraw/zinc/48/21/79/391482179.db2.gz NVEFLVNJCSQZLO-ZDUSSCGKSA-N 1 2 267.332 1.756 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC#Cc1ccccc1 ZINC000583880971 391482181 /nfs/dbraw/zinc/48/21/81/391482181.db2.gz NVEFLVNJCSQZLO-ZDUSSCGKSA-N 1 2 267.332 1.756 20 30 CDEDLO C=CCCC[C@@H](C)N1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O ZINC000359195076 391581117 /nfs/dbraw/zinc/58/11/17/391581117.db2.gz ROXLXFMUHDKWGM-ZYHUDNBSSA-N 1 2 276.340 1.617 20 30 CDEDLO C=CCCC[C@@H](C)N1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O ZINC000359195076 391581120 /nfs/dbraw/zinc/58/11/20/391581120.db2.gz ROXLXFMUHDKWGM-ZYHUDNBSSA-N 1 2 276.340 1.617 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2C(=O)OCC)C1=O ZINC000282016067 391668830 /nfs/dbraw/zinc/66/88/30/391668830.db2.gz OVXJRIPVNFBMRM-QWHCGFSZSA-N 1 2 280.368 1.191 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2C(=O)OCC)C1=O ZINC000282016067 391668832 /nfs/dbraw/zinc/66/88/32/391668832.db2.gz OVXJRIPVNFBMRM-QWHCGFSZSA-N 1 2 280.368 1.191 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ncccc1Cl ZINC000519654250 391678315 /nfs/dbraw/zinc/67/83/15/391678315.db2.gz QIARYFUNVCPIAO-GFCCVEGCSA-N 1 2 266.732 1.309 20 30 CDEDLO Cc1ccn2c(C[NH+]3CCN(CC#N)CC3)cnc2c1 ZINC000092936244 391713045 /nfs/dbraw/zinc/71/30/45/391713045.db2.gz JKEXBIFBAPRRLG-UHFFFAOYSA-N 1 2 269.352 1.284 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000413273599 391736267 /nfs/dbraw/zinc/73/62/67/391736267.db2.gz SJCGKUUHDZOEQJ-XUJVJEKNSA-N 1 2 292.383 1.084 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000413273599 391736270 /nfs/dbraw/zinc/73/62/70/391736270.db2.gz SJCGKUUHDZOEQJ-XUJVJEKNSA-N 1 2 292.383 1.084 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCCN(CC)C(=O)C1 ZINC000190212876 130074408 /nfs/dbraw/zinc/07/44/08/130074408.db2.gz CYCCQNVOAGPWKX-CQSZACIVSA-N 1 2 293.411 1.130 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCCN(CC)C(=O)C1 ZINC000190212876 130074409 /nfs/dbraw/zinc/07/44/09/130074409.db2.gz CYCCQNVOAGPWKX-CQSZACIVSA-N 1 2 293.411 1.130 20 30 CDEDLO Cc1[nH+]ccn1C[C@@H](C)C[NH+]=C([O-])N1C[C@H]2CC[C@@H](C1)O2 ZINC000329799806 391780864 /nfs/dbraw/zinc/78/08/64/391780864.db2.gz HWAXJBPKADFXQM-FPMFFAJLSA-N 1 2 292.383 1.605 20 30 CDEDLO C[C@H](C#N)CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000520360529 391790616 /nfs/dbraw/zinc/79/06/16/391790616.db2.gz UIEHJBAPPDSDIK-GFCCVEGCSA-N 1 2 268.320 1.821 20 30 CDEDLO Cc1cc(C)c(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c(=O)[nH]1 ZINC000330207097 391813671 /nfs/dbraw/zinc/81/36/71/391813671.db2.gz ACDFRTZMMXSABF-JTQLQIEISA-N 1 2 286.335 1.989 20 30 CDEDLO Cc1cc(C)c(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c(=O)[nH]1 ZINC000330207097 391813674 /nfs/dbraw/zinc/81/36/74/391813674.db2.gz ACDFRTZMMXSABF-JTQLQIEISA-N 1 2 286.335 1.989 20 30 CDEDLO N#Cc1ccc(F)cc1CN1CCn2c[nH+]cc2C1 ZINC000590599726 391912325 /nfs/dbraw/zinc/91/23/25/391912325.db2.gz LLIMVHOXRKSJCF-UHFFFAOYSA-N 1 2 256.284 1.910 20 30 CDEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000495854612 391918749 /nfs/dbraw/zinc/91/87/49/391918749.db2.gz GKRIUGVHRAABNU-RISCZKNCSA-N 1 2 289.310 1.628 20 30 CDEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000495854612 391918756 /nfs/dbraw/zinc/91/87/56/391918756.db2.gz GKRIUGVHRAABNU-RISCZKNCSA-N 1 2 289.310 1.628 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)CCS1 ZINC000134344349 391942678 /nfs/dbraw/zinc/94/26/78/391942678.db2.gz OJKVCLHWHLTFCA-LLVKDONJSA-N 1 2 275.377 1.934 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CCS1 ZINC000134344349 391942682 /nfs/dbraw/zinc/94/26/82/391942682.db2.gz OJKVCLHWHLTFCA-LLVKDONJSA-N 1 2 275.377 1.934 20 30 CDEDLO CN(C)c1cc(NC(=O)c2ccc(C#N)c(O)c2)cc[nH+]1 ZINC000442658175 392444970 /nfs/dbraw/zinc/44/49/70/392444970.db2.gz ZOOAVYOBSFEIQH-UHFFFAOYSA-N 1 2 282.303 1.977 20 30 CDEDLO Cc1nnc(N(C)CCCn2cc[nH+]c2)c(C#N)c1C ZINC000268955046 132093645 /nfs/dbraw/zinc/09/36/45/132093645.db2.gz JLWNMOAGLWYAEE-UHFFFAOYSA-N 1 2 270.340 1.688 20 30 CDEDLO Cc1cc(NC[C@@H](O)COCC(C)C)c(C#N)c[nH+]1 ZINC000425203650 392991876 /nfs/dbraw/zinc/99/18/76/392991876.db2.gz FRBJXBUSKNPVMK-CYBMUJFWSA-N 1 2 263.341 1.129 20 30 CDEDLO Cc1cc(N2CCN(C(=O)c3ccco3)CC2)c(C#N)c[nH+]1 ZINC000425200286 392992355 /nfs/dbraw/zinc/99/23/55/392992355.db2.gz KKUHJPQEBJJIBJ-UHFFFAOYSA-N 1 2 296.330 1.817 20 30 CDEDLO Cc1cc(NC[C@@H](C)C(=O)OC(C)C)c(C#N)c[nH+]1 ZINC000425227881 392997550 /nfs/dbraw/zinc/99/75/50/392997550.db2.gz JQUJGTYLEZFARM-SNVBAGLBSA-N 1 2 261.325 1.683 20 30 CDEDLO COC(=O)CCSCCNc1cc(C)[nH+]cc1C#N ZINC000425223807 392997571 /nfs/dbraw/zinc/99/75/71/392997571.db2.gz IWCXBPNOJXRHJS-UHFFFAOYSA-N 1 2 279.365 1.392 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNc1c(C#N)cccc1[N+](=O)[O-] ZINC000425229622 392999156 /nfs/dbraw/zinc/99/91/56/392999156.db2.gz RLCVAYKZHYUAMQ-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNc1c(C#N)cccc1[N+](=O)[O-] ZINC000425229622 392999161 /nfs/dbraw/zinc/99/91/61/392999161.db2.gz RLCVAYKZHYUAMQ-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO Cc1cc(N2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c(C#N)c[nH+]1 ZINC000425260745 393008895 /nfs/dbraw/zinc/00/88/95/393008895.db2.gz OWZBURQNQVNSPO-GJZGRUSLSA-N 1 2 297.362 1.208 20 30 CDEDLO CCn1cc(C[N@H+](C)CC(=O)Nc2ccc(C#N)cc2)cn1 ZINC000533303454 393080267 /nfs/dbraw/zinc/08/02/67/393080267.db2.gz XPXSVNPJQVGIPU-UHFFFAOYSA-N 1 2 297.362 1.845 20 30 CDEDLO CCn1cc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)cn1 ZINC000533303454 393080274 /nfs/dbraw/zinc/08/02/74/393080274.db2.gz XPXSVNPJQVGIPU-UHFFFAOYSA-N 1 2 297.362 1.845 20 30 CDEDLO N#Cc1cn(Cc2cc[nH+]c(N)c2)c2ccccc2c1=O ZINC000195501004 393231031 /nfs/dbraw/zinc/23/10/31/393231031.db2.gz AFMDOZRWUFOEGZ-UHFFFAOYSA-N 1 2 276.299 1.899 20 30 CDEDLO Cc1cccc2[nH+]c(Cn3c(N)nc(C#N)c3C#N)cn21 ZINC000193057099 393207358 /nfs/dbraw/zinc/20/73/58/393207358.db2.gz DFSQGJXOJCBQCB-UHFFFAOYSA-N 1 2 277.291 1.213 20 30 CDEDLO Cc1nc(NCc2cn3ccccc3[nH+]2)ccc1C#N ZINC000487898852 393315978 /nfs/dbraw/zinc/31/59/78/393315978.db2.gz QSFKVFCCPDTKDN-UHFFFAOYSA-N 1 2 263.304 1.943 20 30 CDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccn1C ZINC000091936897 135074677 /nfs/dbraw/zinc/07/46/77/135074677.db2.gz BULOGQMBPDKNGL-ZDUSSCGKSA-N 1 2 296.378 1.397 20 30 CDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccn1C ZINC000091936897 135074680 /nfs/dbraw/zinc/07/46/80/135074680.db2.gz BULOGQMBPDKNGL-ZDUSSCGKSA-N 1 2 296.378 1.397 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000186354584 140060022 /nfs/dbraw/zinc/06/00/22/140060022.db2.gz UIIZZCUQEVFGGG-OLZOCXBDSA-N 1 2 287.363 1.144 20 30 CDEDLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000235610485 140235106 /nfs/dbraw/zinc/23/51/06/140235106.db2.gz QSFVKWALFKPEBR-LBPRGKRZSA-N 1 2 293.392 1.024 20 30 CDEDLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000235610485 140235107 /nfs/dbraw/zinc/23/51/07/140235107.db2.gz QSFVKWALFKPEBR-LBPRGKRZSA-N 1 2 293.392 1.024 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1c(F)cccc1C#N ZINC000349870639 154249773 /nfs/dbraw/zinc/24/97/73/154249773.db2.gz BRSMQSGTMFGRJN-NSHDSACASA-N 1 2 286.310 1.641 20 30 CDEDLO C[C@@H]([NH2+][C@H](C)c1nncn1C)C(=O)Nc1ccccc1C#N ZINC000358794031 158029524 /nfs/dbraw/zinc/02/95/24/158029524.db2.gz YCWARQLGFXULCG-GHMZBOCLSA-N 1 2 298.350 1.365 20 30 CDEDLO Cc1cccc(CCNc2nccc(C#N)c2[N+](=O)[O-])[nH+]1 ZINC000359852130 158399085 /nfs/dbraw/zinc/39/90/85/158399085.db2.gz YAIZIQQBIPSUTP-UHFFFAOYSA-N 1 2 283.291 1.641 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)Nc2sccc2C#N)C[C@H]1CO ZINC000362068339 159058056 /nfs/dbraw/zinc/05/80/56/159058056.db2.gz RSZCGNVNHXOKRA-ONGXEEELSA-N 1 2 279.365 1.118 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)C[C@H]1CO ZINC000362068339 159058059 /nfs/dbraw/zinc/05/80/59/159058059.db2.gz RSZCGNVNHXOKRA-ONGXEEELSA-N 1 2 279.365 1.118 20 30 CDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCOCC3(CCC3)C2)cc1 ZINC000363910932 159353044 /nfs/dbraw/zinc/35/30/44/159353044.db2.gz SNXNPXXSBXWHMJ-UHFFFAOYSA-N 1 2 299.374 1.999 20 30 CDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCOCC3(CCC3)C2)cc1 ZINC000363910932 159353046 /nfs/dbraw/zinc/35/30/46/159353046.db2.gz SNXNPXXSBXWHMJ-UHFFFAOYSA-N 1 2 299.374 1.999 20 30 CDEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCc2nn[nH]c2C1 ZINC000351646578 287131755 /nfs/dbraw/zinc/13/17/55/287131755.db2.gz PSPLNQVTNCFGSN-JTQLQIEISA-N 1 2 253.309 1.796 20 30 CDEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2nn[nH]c2C1 ZINC000351646578 287131758 /nfs/dbraw/zinc/13/17/58/287131758.db2.gz PSPLNQVTNCFGSN-JTQLQIEISA-N 1 2 253.309 1.796 20 30 CDEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000346835867 287245390 /nfs/dbraw/zinc/24/53/90/287245390.db2.gz MUFVITDEOXNNCW-NWDGAFQWSA-N 1 2 265.357 1.048 20 30 CDEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000346835867 287245391 /nfs/dbraw/zinc/24/53/91/287245391.db2.gz MUFVITDEOXNNCW-NWDGAFQWSA-N 1 2 265.357 1.048 20 30 CDEDLO C[NH+](C)[C@H](CNS(=O)(=O)CCCC#N)c1ccco1 ZINC000104106800 412122296 /nfs/dbraw/zinc/12/22/96/412122296.db2.gz GAZCVLCPOWELKN-LLVKDONJSA-N 1 2 285.369 1.105 20 30 CDEDLO Cc1noc([C@H]2C[N@@H+](Cc3ccccc3C#N)CCN2C)n1 ZINC000285549096 196323125 /nfs/dbraw/zinc/32/31/25/196323125.db2.gz QMWWBRVGZVUMLD-OAHLLOKOSA-N 1 2 297.362 1.738 20 30 CDEDLO Cc1noc([C@H]2C[N@H+](Cc3ccccc3C#N)CCN2C)n1 ZINC000285549096 196323127 /nfs/dbraw/zinc/32/31/27/196323127.db2.gz QMWWBRVGZVUMLD-OAHLLOKOSA-N 1 2 297.362 1.738 20 30 CDEDLO C=CC[N@H+](Cc1nc([C@@H](C)OC)no1)[C@@H](C)COC ZINC000661243913 413914833 /nfs/dbraw/zinc/91/48/33/413914833.db2.gz PMLFDGOUXDUOLM-WDEREUQCSA-N 1 2 269.345 1.800 20 30 CDEDLO C=CC[N@@H+](Cc1nc([C@@H](C)OC)no1)[C@@H](C)COC ZINC000661243913 413914842 /nfs/dbraw/zinc/91/48/42/413914842.db2.gz PMLFDGOUXDUOLM-WDEREUQCSA-N 1 2 269.345 1.800 20 30 CDEDLO COC(=O)[C@@H]1CCCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000040013645 174183066 /nfs/dbraw/zinc/18/30/66/174183066.db2.gz KKZPCSBHBOOADK-HNNXBMFYSA-N 1 2 288.347 1.965 20 30 CDEDLO COC(=O)[C@@H]1CCCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000040013645 174183067 /nfs/dbraw/zinc/18/30/67/174183067.db2.gz KKZPCSBHBOOADK-HNNXBMFYSA-N 1 2 288.347 1.965 20 30 CDEDLO N#CCCCNC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000343764317 224847580 /nfs/dbraw/zinc/84/75/80/224847580.db2.gz KPTZVDPDIMWESW-UHFFFAOYSA-N 1 2 283.335 1.975 20 30 CDEDLO Cc1cccn2cc(CNC(=O)[C@@]3(C#N)C[C@@H]3C)[nH+]c12 ZINC000334654374 225258908 /nfs/dbraw/zinc/25/89/08/225258908.db2.gz UTTMUDGYTSZEOY-XHDPSFHLSA-N 1 2 268.320 1.809 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2cncnc2)C1 ZINC000329848528 227966103 /nfs/dbraw/zinc/96/61/03/227966103.db2.gz RNPFSTDCXGWJLR-SNVBAGLBSA-N 1 2 272.312 1.245 20 30 CDEDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C1(O)CCOCC1 ZINC000330066419 228031576 /nfs/dbraw/zinc/03/15/76/228031576.db2.gz SVWBZNNQMKXSOC-LBPRGKRZSA-N 1 2 291.351 1.158 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)NC1(CO)CCCC1 ZINC000330011968 228016576 /nfs/dbraw/zinc/01/65/76/228016576.db2.gz JUCUDGRZWJSPLL-UHFFFAOYSA-N 1 2 251.330 1.614 20 30 CDEDLO Cc1nccc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)n1 ZINC000330122968 228043894 /nfs/dbraw/zinc/04/38/94/228043894.db2.gz KOFQIJDDSBYVNR-UHFFFAOYSA-N 1 2 293.371 1.222 20 30 CDEDLO Cc1nnccc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000330136488 228047613 /nfs/dbraw/zinc/04/76/13/228047613.db2.gz UEFTYNFPJCOTEX-NSHDSACASA-N 1 2 286.339 1.933 20 30 CDEDLO C[C@]1(CNC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCCS1 ZINC000330185361 228059377 /nfs/dbraw/zinc/05/93/77/228059377.db2.gz JCCSBTRQVIAHPG-SMDDNHRTSA-N 1 2 294.424 1.987 20 30 CDEDLO C[C@]1(C[NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CCCS1 ZINC000330185361 228059380 /nfs/dbraw/zinc/05/93/80/228059380.db2.gz JCCSBTRQVIAHPG-SMDDNHRTSA-N 1 2 294.424 1.987 20 30 CDEDLO O=C(C[N@@H+]1CCN2C(=O)NC[C@@H]2C1)NC1CCCCC1 ZINC000330279369 228090819 /nfs/dbraw/zinc/09/08/19/228090819.db2.gz QXXVGEKYWKINSY-GFCCVEGCSA-N 1 2 280.372 1.189 20 30 CDEDLO O=C(C[N@H+]1CCN2C(=O)NC[C@@H]2C1)NC1CCCCC1 ZINC000330279369 228090821 /nfs/dbraw/zinc/09/08/21/228090821.db2.gz QXXVGEKYWKINSY-GFCCVEGCSA-N 1 2 280.372 1.189 20 30 CDEDLO Cc1csc2nc(C[NH2+][C@H]3CCC[C@@H]3C#N)cc(=O)n12 ZINC000332207596 228152221 /nfs/dbraw/zinc/15/22/21/228152221.db2.gz HVBHGLFVIILBAH-PWSUYJOCSA-N 1 2 288.376 1.846 20 30 CDEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC000332236689 228152970 /nfs/dbraw/zinc/15/29/70/228152970.db2.gz OPPKYHVXRABVLH-KOLCDFICSA-N 1 2 274.349 1.538 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000336035635 228180505 /nfs/dbraw/zinc/18/05/05/228180505.db2.gz KKNXTYANNZLKFW-GFCCVEGCSA-N 1 2 275.327 1.630 20 30 CDEDLO C[C@H](CNC(=O)[C@]1(C#N)CC12CCCC2)[NH+]1CCOCC1 ZINC000333250038 228194735 /nfs/dbraw/zinc/19/47/35/228194735.db2.gz YBKUKKRHYVSPLT-CZUORRHYSA-N 1 2 291.395 1.297 20 30 CDEDLO C=CCN(C(=O)NCC[N@H+]1CCOC[C@@H]1C)C1CC1 ZINC000357580270 260235104 /nfs/dbraw/zinc/23/51/04/260235104.db2.gz JOCVHNIGKSFIHL-LBPRGKRZSA-N 1 2 267.373 1.067 20 30 CDEDLO C=CCN(C(=O)NCC[N@@H+]1CCOC[C@@H]1C)C1CC1 ZINC000357580270 260235107 /nfs/dbraw/zinc/23/51/07/260235107.db2.gz JOCVHNIGKSFIHL-LBPRGKRZSA-N 1 2 267.373 1.067 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N(C)Cc1ccccc1OC ZINC000490713583 261190980 /nfs/dbraw/zinc/19/09/80/261190980.db2.gz KYSVRPLEIRKJLM-UHFFFAOYSA-N 1 2 298.386 1.612 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N(C)Cc1ccccc1OC ZINC000490713583 261190982 /nfs/dbraw/zinc/19/09/82/261190982.db2.gz KYSVRPLEIRKJLM-UHFFFAOYSA-N 1 2 298.386 1.612 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C(C)(C)[C@H]1[C@H]1CCCO1 ZINC000491277664 261398467 /nfs/dbraw/zinc/39/84/67/261398467.db2.gz PLDPWMBDOUNHFM-YNEHKIRRSA-N 1 2 264.369 1.313 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C(C)(C)[C@H]1[C@H]1CCCO1 ZINC000491277664 261398471 /nfs/dbraw/zinc/39/84/71/261398471.db2.gz PLDPWMBDOUNHFM-YNEHKIRRSA-N 1 2 264.369 1.313 20 30 CDEDLO O=C(C#Cc1ccccc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161440427 262315540 /nfs/dbraw/zinc/31/55/40/262315540.db2.gz LFAVHGOPRBKTFF-INIZCTEOSA-N 1 2 291.354 1.828 20 30 CDEDLO O=C1OC[C@H]2C[N@H+](CC#Cc3ccccc3)CCN12 ZINC000365233553 262353553 /nfs/dbraw/zinc/35/35/53/262353553.db2.gz JMODAXWYEAOLGI-CQSZACIVSA-N 1 2 256.305 1.175 20 30 CDEDLO O=C1OC[C@H]2C[N@@H+](CC#Cc3ccccc3)CCN12 ZINC000365233553 262353555 /nfs/dbraw/zinc/35/35/55/262353555.db2.gz JMODAXWYEAOLGI-CQSZACIVSA-N 1 2 256.305 1.175 20 30 CDEDLO C=C(C)Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000369250371 262365118 /nfs/dbraw/zinc/36/51/18/262365118.db2.gz LIVQJBPGENDVJY-OAHLLOKOSA-N 1 2 299.378 1.823 20 30 CDEDLO C=C(C)Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000369250371 262365120 /nfs/dbraw/zinc/36/51/20/262365120.db2.gz LIVQJBPGENDVJY-OAHLLOKOSA-N 1 2 299.378 1.823 20 30 CDEDLO CC(C)n1ccnc1SC[C@@H](O)C[N@H+](C)CCC#N ZINC000414116150 262812156 /nfs/dbraw/zinc/81/21/56/262812156.db2.gz WEHUPZPEIIULER-LBPRGKRZSA-N 1 2 282.413 1.762 20 30 CDEDLO CC(C)n1ccnc1SC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414116150 262812157 /nfs/dbraw/zinc/81/21/57/262812157.db2.gz WEHUPZPEIIULER-LBPRGKRZSA-N 1 2 282.413 1.762 20 30 CDEDLO N#CCCCNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000273358395 263016003 /nfs/dbraw/zinc/01/60/03/263016003.db2.gz QHWIRRWETPCEFI-GFCCVEGCSA-N 1 2 275.356 1.401 20 30 CDEDLO N#CCCCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000273358395 263016004 /nfs/dbraw/zinc/01/60/04/263016004.db2.gz QHWIRRWETPCEFI-GFCCVEGCSA-N 1 2 275.356 1.401 20 30 CDEDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)s1 ZINC000273606408 263018272 /nfs/dbraw/zinc/01/82/72/263018272.db2.gz MOSOPHGCYSDTTF-NOZJJQNGSA-N 1 2 295.412 1.552 20 30 CDEDLO Cc1ccccc1-n1nccc1C[NH+]1CCN(CC#N)CC1 ZINC000279616222 263056432 /nfs/dbraw/zinc/05/64/32/263056432.db2.gz JORUNDNVHAVKPX-UHFFFAOYSA-N 1 2 295.390 1.822 20 30 CDEDLO CC[C@@H](C#N)NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000340133026 263075036 /nfs/dbraw/zinc/07/50/36/263075036.db2.gz CVKRZGBTIKQNRO-UONOGXRCSA-N 1 2 257.337 1.679 20 30 CDEDLO CC[C@@H](C#N)NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000340133026 263075037 /nfs/dbraw/zinc/07/50/37/263075037.db2.gz CVKRZGBTIKQNRO-UONOGXRCSA-N 1 2 257.337 1.679 20 30 CDEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)[C@H]2CCCO2)c(C)c1 ZINC000283981020 263085250 /nfs/dbraw/zinc/08/52/50/263085250.db2.gz GQKRPQHCGZWUKE-CYBMUJFWSA-N 1 2 291.351 1.710 20 30 CDEDLO C[C@@H](C[NH+](C)C)/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000286531899 263098860 /nfs/dbraw/zinc/09/88/60/263098860.db2.gz OYZAUWFIJOWOMW-PBJWJZLWSA-N 1 2 251.286 1.669 20 30 CDEDLO CC[C@](C)(C#N)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000286824787 263099796 /nfs/dbraw/zinc/09/97/96/263099796.db2.gz UBRHXVOZDFQNRD-CQSZACIVSA-N 1 2 256.309 1.890 20 30 CDEDLO CC(C)n1cnnc1C[N@H+](C)CCC(=O)N(C)CCC#N ZINC000292449321 263132289 /nfs/dbraw/zinc/13/22/89/263132289.db2.gz PHSUXMJFESHCEV-UHFFFAOYSA-N 1 2 292.387 1.053 20 30 CDEDLO CC(C)n1cnnc1C[N@@H+](C)CCC(=O)N(C)CCC#N ZINC000292449321 263132290 /nfs/dbraw/zinc/13/22/90/263132290.db2.gz PHSUXMJFESHCEV-UHFFFAOYSA-N 1 2 292.387 1.053 20 30 CDEDLO CCc1nocc1C[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000293478944 263141285 /nfs/dbraw/zinc/14/12/85/263141285.db2.gz RREZURULBJHPBI-HNNXBMFYSA-N 1 2 290.367 1.477 20 30 CDEDLO CCc1nocc1C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000293478944 263141286 /nfs/dbraw/zinc/14/12/86/263141286.db2.gz RREZURULBJHPBI-HNNXBMFYSA-N 1 2 290.367 1.477 20 30 CDEDLO C=CC[N@@H+](C)Cc1nnnn1-c1ccc(OC(F)F)cc1 ZINC000121169467 263291597 /nfs/dbraw/zinc/29/15/97/263291597.db2.gz WBDSDTSTQHJOQR-UHFFFAOYSA-N 1 2 295.293 1.882 20 30 CDEDLO C=CC[N@H+](C)Cc1nnnn1-c1ccc(OC(F)F)cc1 ZINC000121169467 263291598 /nfs/dbraw/zinc/29/15/98/263291598.db2.gz WBDSDTSTQHJOQR-UHFFFAOYSA-N 1 2 295.293 1.882 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000121391728 263295016 /nfs/dbraw/zinc/29/50/16/263295016.db2.gz DKZKYOSESAWACB-UHFFFAOYSA-N 1 2 263.297 1.675 20 30 CDEDLO C=CC[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000121391728 263295018 /nfs/dbraw/zinc/29/50/18/263295018.db2.gz DKZKYOSESAWACB-UHFFFAOYSA-N 1 2 263.297 1.675 20 30 CDEDLO COCC1(C#N)CC[NH+](CC(=O)NCCC(C)(C)C)CC1 ZINC000341987139 263381224 /nfs/dbraw/zinc/38/12/24/263381224.db2.gz IQXCCCSMEVXVFW-UHFFFAOYSA-N 1 2 295.427 1.791 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000342049926 263383940 /nfs/dbraw/zinc/38/39/40/263383940.db2.gz PUGXICJGZONPJP-AWEZNQCLSA-N 1 2 290.411 1.667 20 30 CDEDLO Cc1cn2cc(NC(=O)[C@H](C)N3CCOCC3)ccc2[nH+]1 ZINC000328778764 263869807 /nfs/dbraw/zinc/86/98/07/263869807.db2.gz DSCZNUWQFMEULI-LBPRGKRZSA-N 1 2 288.351 1.951 20 30 CDEDLO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2cn[nH]c2C)C1 ZINC000330859944 264055711 /nfs/dbraw/zinc/05/57/11/264055711.db2.gz UPMPUTCFFRXUGA-ZDUSSCGKSA-N 1 2 279.388 1.548 20 30 CDEDLO Cc1[nH]c(C(=O)N[C@H](CCO)C2CCOCC2)c[nH+]1 ZINC000330896908 264078647 /nfs/dbraw/zinc/07/86/47/264078647.db2.gz LQXATJGWUKFQLP-LLVKDONJSA-N 1 2 267.329 1.200 20 30 CDEDLO CC#CCCCC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000331212490 264163568 /nfs/dbraw/zinc/16/35/68/264163568.db2.gz ZWIZAUSWKKMJAO-UKRRQHHQSA-N 1 2 289.379 1.950 20 30 CDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc[nH]c1 ZINC000331335263 264193650 /nfs/dbraw/zinc/19/36/50/264193650.db2.gz IRBCHWAKIBRAJX-UHFFFAOYSA-N 1 2 251.330 1.430 20 30 CDEDLO C=CCC(C)(C)CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661232937 424063244 /nfs/dbraw/zinc/06/32/44/424063244.db2.gz QWVOZGGLVPZDPK-AWEZNQCLSA-N 1 2 295.427 1.705 20 30 CDEDLO Cc1cc(N2CCC(F)(F)[C@@H](CO)C2)c(C#N)c[nH+]1 ZINC000404050753 424167591 /nfs/dbraw/zinc/16/75/91/424167591.db2.gz YAPYDQWVPJVSFZ-LLVKDONJSA-N 1 2 267.279 1.716 20 30 CDEDLO C=CCCCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000664782667 424337717 /nfs/dbraw/zinc/33/77/17/424337717.db2.gz AWHHDFYKMUPOIW-STQMWFEESA-N 1 2 269.389 1.361 20 30 CDEDLO C=CCCCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000664782667 424337724 /nfs/dbraw/zinc/33/77/24/424337724.db2.gz AWHHDFYKMUPOIW-STQMWFEESA-N 1 2 269.389 1.361 20 30 CDEDLO CC[C@H](C)[C@@H](NC(=O)C[N@H+](CC)C[C@@H](C)C#N)C(=O)OC ZINC000356482337 266122990 /nfs/dbraw/zinc/12/29/90/266122990.db2.gz UNUVLUVKFFKIFV-SGMGOOAPSA-N 1 2 297.399 1.172 20 30 CDEDLO CC[C@H](C)[C@@H](NC(=O)C[N@@H+](CC)C[C@@H](C)C#N)C(=O)OC ZINC000356482337 266122992 /nfs/dbraw/zinc/12/29/92/266122992.db2.gz UNUVLUVKFFKIFV-SGMGOOAPSA-N 1 2 297.399 1.172 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CCc3c(ncn3C)C2)cc1 ZINC000368018434 267134795 /nfs/dbraw/zinc/13/47/95/267134795.db2.gz POIKUFAHGHYFNC-UHFFFAOYSA-N 1 2 251.333 1.960 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CCc3c(ncn3C)C2)cc1 ZINC000368018434 267134797 /nfs/dbraw/zinc/13/47/97/267134797.db2.gz POIKUFAHGHYFNC-UHFFFAOYSA-N 1 2 251.333 1.960 20 30 CDEDLO C#Cc1ccc(CN2CCc3c([nH+]cn3C)C2)cc1 ZINC000368018434 267134799 /nfs/dbraw/zinc/13/47/99/267134799.db2.gz POIKUFAHGHYFNC-UHFFFAOYSA-N 1 2 251.333 1.960 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1cccc(C#N)c1 ZINC000493284759 267281822 /nfs/dbraw/zinc/28/18/22/267281822.db2.gz FFJWCYJCLIXCRT-PTZVLDCSSA-N 1 2 282.347 1.532 20 30 CDEDLO Cc1cc(NC[C@H]2CCN(CC(F)(F)F)C2)c(C#N)c[nH+]1 ZINC000399541867 267300041 /nfs/dbraw/zinc/30/00/41/267300041.db2.gz XFRPVXFHKIZEQA-LLVKDONJSA-N 1 2 298.312 1.980 20 30 CDEDLO C#C[C@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000370436072 267318940 /nfs/dbraw/zinc/31/89/40/267318940.db2.gz HLSZIUQVHHVYJQ-NSHDSACASA-N 1 2 269.308 1.088 20 30 CDEDLO C[C@H]1C[C@@H](NC(=O)Nc2cccc(C#N)n2)c2[nH+]ccn21 ZINC000516649668 267897953 /nfs/dbraw/zinc/89/79/53/267897953.db2.gz YLPRKIYBEVXLRL-GXSJLCMTSA-N 1 2 282.307 1.977 20 30 CDEDLO N#Cc1cc(S(=O)(=O)Nc2c[nH+]c[nH]2)ccc1Cl ZINC000516705822 268192201 /nfs/dbraw/zinc/19/22/01/268192201.db2.gz GWSHZJANFBDHEN-UHFFFAOYSA-N 1 2 282.712 1.736 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2C2CCC2)nc1 ZINC000521367356 268220325 /nfs/dbraw/zinc/22/03/25/268220325.db2.gz ZMNMSFLLLLXJBX-OAHLLOKOSA-N 1 2 257.337 1.954 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2C2CCC2)nc1 ZINC000521367356 268220326 /nfs/dbraw/zinc/22/03/26/268220326.db2.gz ZMNMSFLLLLXJBX-OAHLLOKOSA-N 1 2 257.337 1.954 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000338125342 278584109 /nfs/dbraw/zinc/58/41/09/278584109.db2.gz QMCHRKOTUJTEHN-CYBMUJFWSA-N 1 2 280.331 1.808 20 30 CDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000285182688 279365129 /nfs/dbraw/zinc/36/51/29/279365129.db2.gz BWGPIUCRTFVQRD-GFCCVEGCSA-N 1 2 293.392 1.273 20 30 CDEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000285182688 279365130 /nfs/dbraw/zinc/36/51/30/279365130.db2.gz BWGPIUCRTFVQRD-GFCCVEGCSA-N 1 2 293.392 1.273 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000551164780 290001044 /nfs/dbraw/zinc/00/10/44/290001044.db2.gz ONUMJJWNZSXGFD-UHFFFAOYSA-N 1 2 267.292 1.155 20 30 CDEDLO Cc1c(C[NH+]2CCN(c3cnccc3C#N)CC2)cnn1C ZINC000574109668 294947757 /nfs/dbraw/zinc/94/77/57/294947757.db2.gz MLVJFCCIZXPKOP-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO O=C(NC1CCSCC1)N1CCn2cc[nH+]c2C1 ZINC000329851651 295377078 /nfs/dbraw/zinc/37/70/78/295377078.db2.gz QXMFXSQEAPPINF-UHFFFAOYSA-N 1 2 266.370 1.508 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)N2CCc3c[nH+]ccc32)cc1 ZINC000175316298 315899362 /nfs/dbraw/zinc/89/93/62/315899362.db2.gz LVHIGAMMULSELU-UHFFFAOYSA-N 1 2 285.328 1.705 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccn(C2CCCC2)n1 ZINC000570969844 327966953 /nfs/dbraw/zinc/96/69/53/327966953.db2.gz BVVISRPWESGSAG-HNNXBMFYSA-N 1 2 289.383 1.572 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N[C@H]1CCOc2ccccc21 ZINC000339759788 328055039 /nfs/dbraw/zinc/05/50/39/328055039.db2.gz NZEWDTCFVPVCHK-AWEZNQCLSA-N 1 2 272.348 1.582 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N[C@H]1CCOc2ccccc21 ZINC000339759788 328055040 /nfs/dbraw/zinc/05/50/40/328055040.db2.gz NZEWDTCFVPVCHK-AWEZNQCLSA-N 1 2 272.348 1.582 20 30 CDEDLO Cc1ncc(CO)c(/C=[NH+]/CCCO[C@@H]2CCOC2)c1O ZINC000268080912 328182130 /nfs/dbraw/zinc/18/21/30/328182130.db2.gz GFVGRBIQRMIHQR-WJHGTXIHSA-N 1 2 294.351 1.202 20 30 CDEDLO NC(=O)[C@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000178685335 329201207 /nfs/dbraw/zinc/20/12/07/329201207.db2.gz VBPBGSIIJDARKE-CYBMUJFWSA-N 1 2 262.740 1.641 20 30 CDEDLO NC(=O)[C@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000178685335 329201208 /nfs/dbraw/zinc/20/12/08/329201208.db2.gz VBPBGSIIJDARKE-CYBMUJFWSA-N 1 2 262.740 1.641 20 30 CDEDLO Cc1nc(C)c(CO[NH+]=C(N)[C@H]2CCCO2)s1 ZINC000284612860 328246517 /nfs/dbraw/zinc/24/65/17/328246517.db2.gz ZCILEFUBMWEBHA-SECBINFHSA-N 1 2 255.343 1.728 20 30 CDEDLO C=C(C)COCCNC(=O)NCCCCn1cc[nH+]c1 ZINC000531886145 328301276 /nfs/dbraw/zinc/30/12/76/328301276.db2.gz RVKBDLSZMFTKQJ-UHFFFAOYSA-N 1 2 280.372 1.555 20 30 CDEDLO C#CCN(C(=O)NCCn1cc[nH+]c1)C1CCCCC1 ZINC000049459678 328362380 /nfs/dbraw/zinc/36/23/80/328362380.db2.gz KCHPYYLVTSSZNR-UHFFFAOYSA-N 1 2 274.368 1.861 20 30 CDEDLO Cc1cccc(CCCNc2ccc(C#N)c(N)n2)[nH+]1 ZINC000581083366 324648206 /nfs/dbraw/zinc/64/82/06/324648206.db2.gz XPCLQWJPROSTFC-UHFFFAOYSA-N 1 2 267.336 1.706 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000556647796 326955987 /nfs/dbraw/zinc/95/59/87/326955987.db2.gz WGAFCNHIEZIERS-UTUOFQBUSA-N 1 2 278.356 1.607 20 30 CDEDLO Cc1cc(N[C@@H]2CCO[C@]3(CCOC3)C2)c(C#N)c[nH+]1 ZINC000584228107 327069539 /nfs/dbraw/zinc/06/95/39/327069539.db2.gz LXCWVPBABOYGEY-UKRRQHHQSA-N 1 2 273.336 1.434 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc2c1OCCC2 ZINC000566240444 327256210 /nfs/dbraw/zinc/25/62/10/327256210.db2.gz WZCFCENFUMYFCP-AWEZNQCLSA-N 1 2 290.363 1.597 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc2c1OCCC2 ZINC000566240444 327256211 /nfs/dbraw/zinc/25/62/11/327256211.db2.gz WZCFCENFUMYFCP-AWEZNQCLSA-N 1 2 290.363 1.597 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N(C)C[C@H](C)C#N)ccn12 ZINC000583449495 327372915 /nfs/dbraw/zinc/37/29/15/327372915.db2.gz MMXQXSHZLHIDEH-SNVBAGLBSA-N 1 2 256.309 1.874 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N1CCn2c[nH+]cc2C1 ZINC000378106738 329040271 /nfs/dbraw/zinc/04/02/71/329040271.db2.gz IKIXRTXLIIVNQA-CQSZACIVSA-N 1 2 263.341 1.454 20 30 CDEDLO CCC(CC)n1nccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000582549609 329105904 /nfs/dbraw/zinc/10/59/04/329105904.db2.gz HDHVPSFTFMGJHH-OAHLLOKOSA-N 1 2 291.399 1.818 20 30 CDEDLO CCC(CC)[C@@H](C(=O)N[C@H](C)CC#N)[NH+]1CCOCC1 ZINC000173328675 329145923 /nfs/dbraw/zinc/14/59/23/329145923.db2.gz ZGQCOYPAABFQJG-OCCSQVGLSA-N 1 2 281.400 1.542 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000173848768 329152818 /nfs/dbraw/zinc/15/28/18/329152818.db2.gz UBWVIQUUOAMNSC-UHFFFAOYSA-N 1 2 295.383 1.033 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCOC2(CCCCC2)C1 ZINC000173848768 329152820 /nfs/dbraw/zinc/15/28/20/329152820.db2.gz UBWVIQUUOAMNSC-UHFFFAOYSA-N 1 2 295.383 1.033 20 30 CDEDLO C=CCN(CCOC)c1cc(NCC2CC2)[nH+]cn1 ZINC000189635410 329384811 /nfs/dbraw/zinc/38/48/11/329384811.db2.gz KIJVZCWNTWPZSH-UHFFFAOYSA-N 1 2 262.357 1.937 20 30 CDEDLO C=CCN(CCOC)c1cc(NCC2CC2)nc[nH+]1 ZINC000189635410 329384813 /nfs/dbraw/zinc/38/48/13/329384813.db2.gz KIJVZCWNTWPZSH-UHFFFAOYSA-N 1 2 262.357 1.937 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)NCC1(C#N)CCC1 ZINC000419522118 329734930 /nfs/dbraw/zinc/73/49/30/329734930.db2.gz LOHUNBURXZZDCO-UHFFFAOYSA-N 1 2 274.324 1.583 20 30 CDEDLO C=C(C)C[NH2+][C@H](C(=O)OC)[C@H]1CCC[C@@H](OC)C1 ZINC000572125351 329946601 /nfs/dbraw/zinc/94/66/01/329946601.db2.gz YADNWGWNPGCOPY-XQQFMLRXSA-N 1 2 255.358 1.899 20 30 CDEDLO N#CCC1(O)C[NH+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000424140721 330281572 /nfs/dbraw/zinc/28/15/72/330281572.db2.gz STWQUAYJFXJOJW-QGZVFWFLSA-N 1 2 296.370 1.704 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)nn1 ZINC000424167282 330309848 /nfs/dbraw/zinc/30/98/48/330309848.db2.gz CLPHYDNWPXLXRB-UHFFFAOYSA-N 1 2 286.261 1.496 20 30 CDEDLO C=CCN(CC=C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000430253728 330565340 /nfs/dbraw/zinc/56/53/40/330565340.db2.gz ACAJOXKERYLXHP-LBPRGKRZSA-N 1 2 260.341 1.582 20 30 CDEDLO CCN1CCN(CC2(C#N)CCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000450892242 331005243 /nfs/dbraw/zinc/00/52/43/331005243.db2.gz NJIAKQFXQVMLNW-ZDUSSCGKSA-N 1 2 273.384 1.782 20 30 CDEDLO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1CC1(C#N)CCC1 ZINC000451064724 331014452 /nfs/dbraw/zinc/01/44/52/331014452.db2.gz XMBQHVHYWRUFDG-CYBMUJFWSA-N 1 2 284.425 1.969 20 30 CDEDLO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1CC1(C#N)CCC1 ZINC000451064724 331014453 /nfs/dbraw/zinc/01/44/53/331014453.db2.gz XMBQHVHYWRUFDG-CYBMUJFWSA-N 1 2 284.425 1.969 20 30 CDEDLO Cc1cc[nH+]cc1N1CCN(C(=O)[C@]2(C#N)C[C@H]2C)CC1 ZINC000451423428 331028876 /nfs/dbraw/zinc/02/88/76/331028876.db2.gz CREVHYXZLRGZOT-CJNGLKHVSA-N 1 2 284.363 1.588 20 30 CDEDLO C=CC(C)(C)CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000454259028 331143063 /nfs/dbraw/zinc/14/30/63/331143063.db2.gz CYOJMRKQIBFMLJ-LBPRGKRZSA-N 1 2 269.389 1.219 20 30 CDEDLO COCCN(CC#N)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000457184398 331214333 /nfs/dbraw/zinc/21/43/33/331214333.db2.gz RLEDRXPRRZSLBV-UHFFFAOYSA-N 1 2 284.319 1.484 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000491289000 332182515 /nfs/dbraw/zinc/18/25/15/332182515.db2.gz WFVREUOULBKJFY-AWEZNQCLSA-N 1 2 286.375 1.613 20 30 CDEDLO C#CC[NH+]1CCN(c2ccc(C(=O)OC)s2)CC1 ZINC000491295223 332183543 /nfs/dbraw/zinc/18/35/43/332183543.db2.gz GDFIUXKHXHTHBB-UHFFFAOYSA-N 1 2 264.350 1.290 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)CN(/C=C/c2ccccc2)C1=O ZINC000491340729 332193903 /nfs/dbraw/zinc/19/39/03/332193903.db2.gz ZSGPXWYZZFUTLM-VNDWYCCKSA-N 1 2 297.358 1.833 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)CN(/C=C/c2ccccc2)C1=O ZINC000491340729 332193904 /nfs/dbraw/zinc/19/39/04/332193904.db2.gz ZSGPXWYZZFUTLM-VNDWYCCKSA-N 1 2 297.358 1.833 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2C2CC2)CC1 ZINC000491384452 332201866 /nfs/dbraw/zinc/20/18/66/332201866.db2.gz OSADBDQXDQABCI-UHFFFAOYSA-N 1 2 285.395 1.321 20 30 CDEDLO C#CCN(CC)C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000491416203 332207735 /nfs/dbraw/zinc/20/77/35/332207735.db2.gz JPEPSWWJGMWGAO-SNVBAGLBSA-N 1 2 287.285 1.938 20 30 CDEDLO C#CC[N@@H+](CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000491676180 332281628 /nfs/dbraw/zinc/28/16/28/332281628.db2.gz YTFLWIJCYHHMDX-INIZCTEOSA-N 1 2 291.416 1.660 20 30 CDEDLO C#CC[N@H+](CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000491676180 332281629 /nfs/dbraw/zinc/28/16/29/332281629.db2.gz YTFLWIJCYHHMDX-INIZCTEOSA-N 1 2 291.416 1.660 20 30 CDEDLO C#CCN(C(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000491698841 332293491 /nfs/dbraw/zinc/29/34/91/332293491.db2.gz CVAIHEHOIQSODR-NSHDSACASA-N 1 2 258.325 1.005 20 30 CDEDLO C#C[C@@H](CC)NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000491699922 332294480 /nfs/dbraw/zinc/29/44/80/332294480.db2.gz JUOBHJKDMKSMLL-UWVGGRQHSA-N 1 2 287.285 1.984 20 30 CDEDLO C#C[C@@H](NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)C(C)C ZINC000491771536 332338227 /nfs/dbraw/zinc/33/82/27/332338227.db2.gz OQNJJZVCWFYSCD-UONOGXRCSA-N 1 2 274.368 1.715 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cn1nc(C(=O)OC)c(Cl)c1C ZINC000491783767 332347003 /nfs/dbraw/zinc/34/70/03/332347003.db2.gz KCILHSPNWRPMFS-QMMMGPOBSA-N 1 2 269.732 1.543 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cn1nc(C(=O)OC)c(Cl)c1C ZINC000491783767 332347004 /nfs/dbraw/zinc/34/70/04/332347004.db2.gz KCILHSPNWRPMFS-QMMMGPOBSA-N 1 2 269.732 1.543 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O ZINC000491788318 332350611 /nfs/dbraw/zinc/35/06/11/332350611.db2.gz XOZWNROPDWJZLJ-UPJWGTAASA-N 1 2 291.395 1.644 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O ZINC000491788318 332350613 /nfs/dbraw/zinc/35/06/13/332350613.db2.gz XOZWNROPDWJZLJ-UPJWGTAASA-N 1 2 291.395 1.644 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000491795643 332354677 /nfs/dbraw/zinc/35/46/77/332354677.db2.gz WKBZQCHPQATKFH-NSHDSACASA-N 1 2 260.341 1.311 20 30 CDEDLO CCn1cc[nH+]c1/C=C\C(=O)N(CCC#N)CCC#N ZINC000492302089 332391437 /nfs/dbraw/zinc/39/14/37/332391437.db2.gz XMYQDPZORBREQU-WAYWQWQTSA-N 1 2 271.324 1.572 20 30 CDEDLO COc1ccc(/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C)nc1 ZINC000493145297 332428133 /nfs/dbraw/zinc/42/81/33/332428133.db2.gz FVDRXOBEZXFXGO-LYASGUKUSA-N 1 2 288.351 1.063 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1nc2ccc(OC)nc2[nH]1 ZINC000517583572 333102929 /nfs/dbraw/zinc/10/29/29/333102929.db2.gz KYYHSZZHRGOQQX-SECBINFHSA-N 1 2 259.313 1.748 20 30 CDEDLO C#CC[NH+]1CCN(c2ncnc3c(C)csc32)CC1 ZINC000195343775 333250595 /nfs/dbraw/zinc/25/05/95/333250595.db2.gz AVWXCJXHXRTHDM-UHFFFAOYSA-N 1 2 272.377 1.755 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)[C@@H](C)Oc2cccc(C)c2)CC1 ZINC000128385769 333665960 /nfs/dbraw/zinc/66/59/60/333665960.db2.gz GNFQIRTXRRMZGG-OAHLLOKOSA-N 1 2 286.375 1.540 20 30 CDEDLO C[C@](O)(C1CC[NH+](CCC#N)CC1)C(F)(F)F ZINC000547344727 334081618 /nfs/dbraw/zinc/08/16/18/334081618.db2.gz UHNBMHQJLCBDMY-JTQLQIEISA-N 1 2 250.264 1.925 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)c1ccc(CC#N)cc1 ZINC000548186493 334145829 /nfs/dbraw/zinc/14/58/29/334145829.db2.gz CTGAMLIUEFDXNJ-UHFFFAOYSA-N 1 2 268.320 1.459 20 30 CDEDLO CCc1oc(C[NH2+]C[C@H](C)C#N)cc1C(=O)OC ZINC000549378899 334191881 /nfs/dbraw/zinc/19/18/81/334191881.db2.gz XQCMHBOBUOWIOI-SECBINFHSA-N 1 2 250.298 1.878 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000554552429 334437671 /nfs/dbraw/zinc/43/76/71/334437671.db2.gz XYHNTLDNOWKOCB-LBPRGKRZSA-N 1 2 256.309 1.319 20 30 CDEDLO C=CCN(CCOC)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000566304249 334641626 /nfs/dbraw/zinc/64/16/26/334641626.db2.gz MMQPYOKJPQQZNV-LBPRGKRZSA-N 1 2 251.330 1.495 20 30 CDEDLO C=CC[C@@H](CO)CNc1nc(C2CC2)[nH+]c(C)c1OC ZINC000566485665 334651982 /nfs/dbraw/zinc/65/19/82/334651982.db2.gz QRWZJTHDDIEYCA-LLVKDONJSA-N 1 2 277.368 1.689 20 30 CDEDLO COc1cc(Cl)ccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000580686060 335322541 /nfs/dbraw/zinc/32/25/41/335322541.db2.gz HLUIDPIZJWGGPB-AWEZNQCLSA-N 1 2 295.770 1.922 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000577293970 335336571 /nfs/dbraw/zinc/33/65/71/335336571.db2.gz LAKRJYAFMYCYPH-OBJOEFQTSA-N 1 2 277.368 1.686 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000577293970 335336572 /nfs/dbraw/zinc/33/65/72/335336572.db2.gz LAKRJYAFMYCYPH-OBJOEFQTSA-N 1 2 277.368 1.686 20 30 CDEDLO CCCCSCCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000580837734 335973728 /nfs/dbraw/zinc/97/37/28/335973728.db2.gz YZMVUEZQTUGNGP-ZDUSSCGKSA-N 1 2 271.430 1.870 20 30 CDEDLO COc1cc(NC[C@@H](O)C[N@H+](C)CCC#N)c(C)cc1C ZINC000581603578 336110557 /nfs/dbraw/zinc/11/05/57/336110557.db2.gz FHJYCDIWNNCOGB-CQSZACIVSA-N 1 2 291.395 1.930 20 30 CDEDLO COc1cc(NC[C@@H](O)C[N@@H+](C)CCC#N)c(C)cc1C ZINC000581603578 336110559 /nfs/dbraw/zinc/11/05/59/336110559.db2.gz FHJYCDIWNNCOGB-CQSZACIVSA-N 1 2 291.395 1.930 20 30 CDEDLO CC[C@@H]1CCC[C@H]1C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001752372911 1159527076 /nfs/dbraw/zinc/52/70/76/1159527076.db2.gz KQKGESMXGKRGTI-HUUCEWRRSA-N 1 2 292.427 1.070 20 30 CDEDLO C#CC(=O)N1C[C@@H]2COC[C@H](C1)[N@@H+]2C[C@H](CC)CCCC ZINC001268942498 1160024909 /nfs/dbraw/zinc/02/49/09/1160024909.db2.gz VBFUQXIFAYSFMZ-OAGGEKHMSA-N 1 2 292.423 1.748 20 30 CDEDLO C#CC(=O)N1C[C@@H]2COC[C@H](C1)[N@H+]2C[C@H](CC)CCCC ZINC001268942498 1160024915 /nfs/dbraw/zinc/02/49/15/1160024915.db2.gz VBFUQXIFAYSFMZ-OAGGEKHMSA-N 1 2 292.423 1.748 20 30 CDEDLO C=C(C)CS(=O)(=O)NCCc1cn2ccccc2[nH+]1 ZINC000184340996 518623273 /nfs/dbraw/zinc/62/32/73/518623273.db2.gz KCKHMNKRCVSVGZ-UHFFFAOYSA-N 1 2 279.365 1.372 20 30 CDEDLO Cc1c(C#N)cccc1NC(=O)NCCn1cc[nH+]c1 ZINC000178582995 533732668 /nfs/dbraw/zinc/73/26/68/533732668.db2.gz DGINSHZNWZMGPT-UHFFFAOYSA-N 1 2 269.308 1.885 20 30 CDEDLO C[C@@H]1CCN(C([O-])=[NH+][C@H]2[C@@H]3COC[C@@H]32)C[C@@H]1n1cc[nH+]c1 ZINC000329993387 533910118 /nfs/dbraw/zinc/91/01/18/533910118.db2.gz LIPGCVDUZFLJMF-DGTMBMJNSA-N 1 2 290.367 1.325 20 30 CDEDLO C[C@@H]1CCN(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)C[C@@H]1n1cc[nH+]c1 ZINC000329993387 533910125 /nfs/dbraw/zinc/91/01/25/533910125.db2.gz LIPGCVDUZFLJMF-DGTMBMJNSA-N 1 2 290.367 1.325 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C[C@H](C)CCC)C1 ZINC001753659304 1185290816 /nfs/dbraw/zinc/29/08/16/1185290816.db2.gz SBIPAKYLCKGKCR-ZIAGYGMSSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C[C@H](C)CCC)C1 ZINC001753659304 1185290819 /nfs/dbraw/zinc/29/08/19/1185290819.db2.gz SBIPAKYLCKGKCR-ZIAGYGMSSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cnco1 ZINC001754317833 1185573660 /nfs/dbraw/zinc/57/36/60/1185573660.db2.gz IEEFXZVQMINMAD-VIFPVBQESA-N 1 2 257.721 1.477 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cnco1 ZINC001754317833 1185573664 /nfs/dbraw/zinc/57/36/64/1185573664.db2.gz IEEFXZVQMINMAD-VIFPVBQESA-N 1 2 257.721 1.477 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCCc2cccnc2)CC1 ZINC001113462647 1162181516 /nfs/dbraw/zinc/18/15/16/1162181516.db2.gz JTLIULLKYVQQBI-UHFFFAOYSA-N 1 2 285.391 1.572 20 30 CDEDLO Cc1cncc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000330266538 534670949 /nfs/dbraw/zinc/67/09/49/534670949.db2.gz AFEHBWFWYSPOLX-GFCCVEGCSA-N 1 2 256.309 1.906 20 30 CDEDLO N#CCNC(=O)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000331598904 534675254 /nfs/dbraw/zinc/67/52/54/534675254.db2.gz QJEJDIJKWDAVBV-ZDUSSCGKSA-N 1 2 298.346 1.995 20 30 CDEDLO N#CCNC(=O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000331598904 534675257 /nfs/dbraw/zinc/67/52/57/534675257.db2.gz QJEJDIJKWDAVBV-ZDUSSCGKSA-N 1 2 298.346 1.995 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000156886948 523520298 /nfs/dbraw/zinc/52/02/98/523520298.db2.gz CQWRRUNPTKJLQM-CABCVRRESA-N 1 2 299.374 1.810 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000156886948 523520303 /nfs/dbraw/zinc/52/03/03/523520303.db2.gz CQWRRUNPTKJLQM-CABCVRRESA-N 1 2 299.374 1.810 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cccc(CC#N)c1 ZINC000353200366 534721351 /nfs/dbraw/zinc/72/13/51/534721351.db2.gz ZPOCQXUISKRYBV-UHFFFAOYSA-N 1 2 254.293 1.714 20 30 CDEDLO O=C(NCC[NH+]1CCOCC1)[C@@H]1CCc2cccnc21 ZINC000329277817 534753161 /nfs/dbraw/zinc/75/31/61/534753161.db2.gz JLZAOFJJDVVQLY-CYBMUJFWSA-N 1 2 275.352 1.400 20 30 CDEDLO O=C(NCc1ccncn1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329187800 534757822 /nfs/dbraw/zinc/75/78/22/534757822.db2.gz QHJGKDOXUNSLGB-CQSZACIVSA-N 1 2 290.367 1.577 20 30 CDEDLO O=C(NCc1ccncn1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329187800 534757824 /nfs/dbraw/zinc/75/78/24/534757824.db2.gz QHJGKDOXUNSLGB-CQSZACIVSA-N 1 2 290.367 1.577 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113802223 1162286676 /nfs/dbraw/zinc/28/66/76/1162286676.db2.gz JWUFUZDYFNETDN-NSHDSACASA-N 1 2 276.384 1.938 20 30 CDEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000113505217 526427638 /nfs/dbraw/zinc/42/76/38/526427638.db2.gz PUCDYSPTJMFFMD-SNVBAGLBSA-N 1 2 273.174 1.638 20 30 CDEDLO C=C(Br)C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000113505217 526427643 /nfs/dbraw/zinc/42/76/43/526427643.db2.gz PUCDYSPTJMFFMD-SNVBAGLBSA-N 1 2 273.174 1.638 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1)OCC ZINC000347628651 526746826 /nfs/dbraw/zinc/74/68/26/526746826.db2.gz ZBHFBDNLEPPGQB-LSDHHAIUSA-N 1 2 298.427 1.585 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCC[N@H+]1CCO[C@@H](CC)C1)OCC ZINC000347628651 526746830 /nfs/dbraw/zinc/74/68/30/526746830.db2.gz ZBHFBDNLEPPGQB-LSDHHAIUSA-N 1 2 298.427 1.585 20 30 CDEDLO C=CCCCC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000347595605 527106268 /nfs/dbraw/zinc/10/62/68/527106268.db2.gz ATHPDMOSSKIWFG-ZDUSSCGKSA-N 1 2 254.374 1.570 20 30 CDEDLO C=CCCCC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000347595605 527106274 /nfs/dbraw/zinc/10/62/74/527106274.db2.gz ATHPDMOSSKIWFG-ZDUSSCGKSA-N 1 2 254.374 1.570 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347355814 527627747 /nfs/dbraw/zinc/62/77/47/527627747.db2.gz TVYGXMSPERMSOB-UKRRQHHQSA-N 1 2 284.375 1.372 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@](F)(CO)C1 ZINC000347355814 527627751 /nfs/dbraw/zinc/62/77/51/527627751.db2.gz TVYGXMSPERMSOB-UKRRQHHQSA-N 1 2 284.375 1.372 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000356060158 527629725 /nfs/dbraw/zinc/62/97/25/527629725.db2.gz OUONBKJDWXIYPD-ZFWWWQNUSA-N 1 2 276.336 1.388 20 30 CDEDLO CC1(C)C[C@@H]1CNC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330189752 527706543 /nfs/dbraw/zinc/70/65/43/527706543.db2.gz MAGDSNOHIIQLFY-GHMZBOCLSA-N 1 2 262.357 1.748 20 30 CDEDLO CC1(C)C[C@@H]1C[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330189752 527706544 /nfs/dbraw/zinc/70/65/44/527706544.db2.gz MAGDSNOHIIQLFY-GHMZBOCLSA-N 1 2 262.357 1.748 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(C#N)cc1 ZINC000116287336 536514121 /nfs/dbraw/zinc/51/41/21/536514121.db2.gz UPCNDXAUTSRXLG-KGLIPLIRSA-N 1 2 274.320 1.321 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000116287336 536514124 /nfs/dbraw/zinc/51/41/24/536514124.db2.gz UPCNDXAUTSRXLG-KGLIPLIRSA-N 1 2 274.320 1.321 20 30 CDEDLO N#CCCCS(=O)(=O)NCc1cn2ccccc2[nH+]1 ZINC000111325462 545526295 /nfs/dbraw/zinc/52/62/95/545526295.db2.gz CSSNFLPNQFCGKD-UHFFFAOYSA-N 1 2 278.337 1.057 20 30 CDEDLO C#Cc1ccc(C(=O)Nc2c[nH+]ccc2OC)nc1 ZINC000728819727 574650475 /nfs/dbraw/zinc/65/04/75/574650475.db2.gz GSDCMHREMOVOBO-UHFFFAOYSA-N 1 2 253.261 1.719 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CN(C)c2cc(C)cc(C)c2)CC1 ZINC000746501955 574872627 /nfs/dbraw/zinc/87/26/27/574872627.db2.gz BKEIAIKPCNEHGC-UHFFFAOYSA-N 1 2 299.418 1.517 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCC)cc1 ZINC000732058578 575078127 /nfs/dbraw/zinc/07/81/27/575078127.db2.gz DTBDZVHJEJXMRN-HNNXBMFYSA-N 1 2 299.374 1.472 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCC)cc1 ZINC000732058578 575078128 /nfs/dbraw/zinc/07/81/28/575078128.db2.gz DTBDZVHJEJXMRN-HNNXBMFYSA-N 1 2 299.374 1.472 20 30 CDEDLO C=CC1CCN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000732458564 575089953 /nfs/dbraw/zinc/08/99/53/575089953.db2.gz OFGQLHUWHRVDST-ZDUSSCGKSA-N 1 2 281.400 1.315 20 30 CDEDLO C=CC1CCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000732458564 575089954 /nfs/dbraw/zinc/08/99/54/575089954.db2.gz OFGQLHUWHRVDST-ZDUSSCGKSA-N 1 2 281.400 1.315 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)C[C@H]2CCc3ccccc3C2)CC1 ZINC000732577352 575091862 /nfs/dbraw/zinc/09/18/62/575091862.db2.gz FIMQCPDIDDQHRB-INIZCTEOSA-N 1 2 296.414 1.959 20 30 CDEDLO C(=[NH+]Nc1cccnn1)c1ccccc1N1CCOCC1 ZINC000735974602 575544370 /nfs/dbraw/zinc/54/43/70/575544370.db2.gz HCQZBVNZQZHTRM-UHFFFAOYSA-N 1 2 283.335 1.759 20 30 CDEDLO C#CCCOC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000765478680 576028357 /nfs/dbraw/zinc/02/83/57/576028357.db2.gz FXJPZJDWLXNEJA-MRXNPFEDSA-N 1 2 287.359 1.844 20 30 CDEDLO C#CCCOC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000765478680 576028361 /nfs/dbraw/zinc/02/83/61/576028361.db2.gz FXJPZJDWLXNEJA-MRXNPFEDSA-N 1 2 287.359 1.844 20 30 CDEDLO COc1ccc2c(c1)[nH+]ccc2N1CCO[C@H](C#N)C1 ZINC000765495025 576030851 /nfs/dbraw/zinc/03/08/51/576030851.db2.gz OEIUNJSLCRNUDA-GFCCVEGCSA-N 1 2 269.304 1.972 20 30 CDEDLO N#CC1CC[NH+](CN2C[C@H](c3cccnc3)CC2=O)CC1 ZINC000765689273 576050000 /nfs/dbraw/zinc/05/00/00/576050000.db2.gz VILKFCJYMVPYRJ-OAHLLOKOSA-N 1 2 284.363 1.591 20 30 CDEDLO N#CC[N@@H+](Cc1ccc(OCC(N)=O)cc1)C1CCCC1 ZINC000738331343 576059980 /nfs/dbraw/zinc/05/99/80/576059980.db2.gz ZWSZTVJZMMBDTB-UHFFFAOYSA-N 1 2 287.363 1.819 20 30 CDEDLO N#CC[N@H+](Cc1ccc(OCC(N)=O)cc1)C1CCCC1 ZINC000738331343 576059983 /nfs/dbraw/zinc/05/99/83/576059983.db2.gz ZWSZTVJZMMBDTB-UHFFFAOYSA-N 1 2 287.363 1.819 20 30 CDEDLO CC(=[NH+]Nc1ccnc(N(C)C)n1)c1ccc(N)cc1 ZINC000739412400 576228452 /nfs/dbraw/zinc/22/84/52/576228452.db2.gz YMWIPIDKYQBOLZ-UHFFFAOYSA-N 1 2 270.340 1.961 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1n[nH]c2ccccc21 ZINC000742046227 576580157 /nfs/dbraw/zinc/58/01/57/576580157.db2.gz ZZBLMMSKZLNLBA-ZDUSSCGKSA-N 1 2 268.320 1.599 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1n[nH]c2ccccc21 ZINC000742046227 576580159 /nfs/dbraw/zinc/58/01/59/576580159.db2.gz ZZBLMMSKZLNLBA-ZDUSSCGKSA-N 1 2 268.320 1.599 20 30 CDEDLO C#CC[N@@H+](CC#CC)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000743854896 576658530 /nfs/dbraw/zinc/65/85/30/576658530.db2.gz RDQDJKUHRBODJD-OAHLLOKOSA-N 1 2 263.287 1.957 20 30 CDEDLO C#CC[N@H+](CC#CC)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000743854896 576658532 /nfs/dbraw/zinc/65/85/32/576658532.db2.gz RDQDJKUHRBODJD-OAHLLOKOSA-N 1 2 263.287 1.957 20 30 CDEDLO COc1nccnc1N=NCc1ccc(N2CCCC2)[nH+]c1 ZINC000763408769 576735139 /nfs/dbraw/zinc/73/51/39/576735139.db2.gz RJODPOKQXHHSJR-UHFFFAOYSA-N 1 2 298.350 1.926 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ncc(C(C)(C)C)o1 ZINC000746629189 576787275 /nfs/dbraw/zinc/78/72/75/576787275.db2.gz YAOPMILRDBMBPI-LBPRGKRZSA-N 1 2 289.379 1.686 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ncc(C(C)(C)C)o1 ZINC000746629189 576787276 /nfs/dbraw/zinc/78/72/76/576787276.db2.gz YAOPMILRDBMBPI-LBPRGKRZSA-N 1 2 289.379 1.686 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)[C@H](CC)SC)CC1 ZINC000746821238 576791259 /nfs/dbraw/zinc/79/12/59/576791259.db2.gz OACYFMPOTCZXMN-LBPRGKRZSA-N 1 2 254.399 1.296 20 30 CDEDLO COC[C@]1(C)CC(=O)N(C[N@H+](CCC#N)CC(C)C)C1 ZINC000747455259 576871012 /nfs/dbraw/zinc/87/10/12/576871012.db2.gz YFRNMUNCBUMICP-OAHLLOKOSA-N 1 2 281.400 1.701 20 30 CDEDLO COC[C@]1(C)CC(=O)N(C[N@@H+](CCC#N)CC(C)C)C1 ZINC000747455259 576871013 /nfs/dbraw/zinc/87/10/13/576871013.db2.gz YFRNMUNCBUMICP-OAHLLOKOSA-N 1 2 281.400 1.701 20 30 CDEDLO C=CCc1cc(OC)cc(C[NH+]2CC(OC)C2)c1O ZINC000754739987 576913163 /nfs/dbraw/zinc/91/31/63/576913163.db2.gz FKOVBPDASNUQIN-UHFFFAOYSA-N 1 2 263.337 1.960 20 30 CDEDLO C[C@@H]([NH2+]CC(=O)NCCC#N)c1nc(C(C)(C)C)no1 ZINC000755068921 576929018 /nfs/dbraw/zinc/92/90/18/576929018.db2.gz WZNJLGWHHXOHBT-SECBINFHSA-N 1 2 279.344 1.048 20 30 CDEDLO C#CCOCCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000755430936 576944536 /nfs/dbraw/zinc/94/45/36/576944536.db2.gz PFTTUYYYAIVDKH-UHFFFAOYSA-N 1 2 292.404 1.432 20 30 CDEDLO Cc1[nH]c[nH+]c1C=NN1C(=S)N=NC1[C@@H]1CCCCO1 ZINC000755753629 576959222 /nfs/dbraw/zinc/95/92/22/576959222.db2.gz MBPIJBKPZOBNFJ-JTQLQIEISA-N 1 2 292.368 1.722 20 30 CDEDLO O=C1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCCN1 ZINC000750044239 576973239 /nfs/dbraw/zinc/97/32/39/576973239.db2.gz TVEVDZATZHDTEC-UHFFFAOYSA-N 1 2 296.292 1.879 20 30 CDEDLO O=C1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCCN1 ZINC000750044239 576973240 /nfs/dbraw/zinc/97/32/40/576973240.db2.gz TVEVDZATZHDTEC-UHFFFAOYSA-N 1 2 296.292 1.879 20 30 CDEDLO C=C(CO)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000752949249 577136069 /nfs/dbraw/zinc/13/60/69/577136069.db2.gz GJKVTQQEEVKYDL-UHFFFAOYSA-N 1 2 271.320 1.096 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ncoc2CC)C1 ZINC000949820333 612993219 /nfs/dbraw/zinc/99/32/19/612993219.db2.gz QQGDXNLAYQABLD-UHFFFAOYSA-N 1 2 275.352 1.407 20 30 CDEDLO C#CC1(O)CN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000890526546 617196492 /nfs/dbraw/zinc/19/64/92/617196492.db2.gz ZJJQRHKBKISTMR-AWEZNQCLSA-N 1 2 295.342 1.138 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000980848382 617289348 /nfs/dbraw/zinc/28/93/48/617289348.db2.gz VNKQYHTXLPKKTN-INIZCTEOSA-N 1 2 295.386 1.732 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000980848382 617289349 /nfs/dbraw/zinc/28/93/49/617289349.db2.gz VNKQYHTXLPKKTN-INIZCTEOSA-N 1 2 295.386 1.732 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2c[nH]nc2C(C)C)C1 ZINC000950715768 612991619 /nfs/dbraw/zinc/99/16/19/612991619.db2.gz RYLZRHJECCHQDI-UHFFFAOYSA-N 1 2 288.395 1.703 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2cc(C3CC3)no2)CC1 ZINC000982053867 613157018 /nfs/dbraw/zinc/15/70/18/613157018.db2.gz AMPOZJUKPBNATE-UHFFFAOYSA-N 1 2 273.336 1.333 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc(C3CC3)no2)CC1 ZINC000982053867 613157019 /nfs/dbraw/zinc/15/70/19/613157019.db2.gz AMPOZJUKPBNATE-UHFFFAOYSA-N 1 2 273.336 1.333 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2sc(CC)nc2C)CC1 ZINC000982191469 613160629 /nfs/dbraw/zinc/16/06/29/613160629.db2.gz IRWYTBGXZYPSOV-UHFFFAOYSA-N 1 2 291.420 1.795 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2sc(CC)nc2C)CC1 ZINC000982191469 613160632 /nfs/dbraw/zinc/16/06/32/613160632.db2.gz IRWYTBGXZYPSOV-UHFFFAOYSA-N 1 2 291.420 1.795 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)/C=C(/C)C3CC3)C2)C1 ZINC000972279192 613210188 /nfs/dbraw/zinc/21/01/88/613210188.db2.gz NLLLNFJMCOSMAM-IFCKCIONSA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)/C=C(/C)C3CC3)C2)C1 ZINC000972279192 613210189 /nfs/dbraw/zinc/21/01/89/613210189.db2.gz NLLLNFJMCOSMAM-IFCKCIONSA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(CF)CCC3)C2)C1 ZINC000972561565 613211209 /nfs/dbraw/zinc/21/12/09/613211209.db2.gz RTNRAVNSBCWFRE-INIZCTEOSA-N 1 2 294.370 1.063 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(CF)CCC3)C2)C1 ZINC000972561565 613211211 /nfs/dbraw/zinc/21/12/11/613211211.db2.gz RTNRAVNSBCWFRE-INIZCTEOSA-N 1 2 294.370 1.063 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ncc(Cl)s2)C1 ZINC000967358291 613217704 /nfs/dbraw/zinc/21/77/04/613217704.db2.gz QQEABHNHGHNVNB-ZJUUUORDSA-N 1 2 297.811 1.870 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ncc(Cl)s2)C1 ZINC000967358291 613217705 /nfs/dbraw/zinc/21/77/05/613217705.db2.gz QQEABHNHGHNVNB-ZJUUUORDSA-N 1 2 297.811 1.870 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2scnc2Cl)C1 ZINC000968651590 613221965 /nfs/dbraw/zinc/22/19/65/613221965.db2.gz KHRILFHBGLMFSR-NXEZZACHSA-N 1 2 297.811 1.870 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2scnc2Cl)C1 ZINC000968651590 613221967 /nfs/dbraw/zinc/22/19/67/613221967.db2.gz KHRILFHBGLMFSR-NXEZZACHSA-N 1 2 297.811 1.870 20 30 CDEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cocn1 ZINC000948898266 613279799 /nfs/dbraw/zinc/27/97/99/613279799.db2.gz GPGDWRVIAJEBPI-INIZCTEOSA-N 1 2 295.342 1.637 20 30 CDEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cocn1 ZINC000948898266 613279800 /nfs/dbraw/zinc/27/98/00/613279800.db2.gz GPGDWRVIAJEBPI-INIZCTEOSA-N 1 2 295.342 1.637 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccn(C)n2)C1 ZINC000957390918 613296924 /nfs/dbraw/zinc/29/69/24/613296924.db2.gz XYISVGNCISBKGR-UHFFFAOYSA-N 1 2 262.357 1.143 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnc(Cl)n2C)C1 ZINC000950880103 613297493 /nfs/dbraw/zinc/29/74/93/613297493.db2.gz VSHNWUKKXXSEDB-UHFFFAOYSA-N 1 2 296.802 1.796 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2nonc2C)C1 ZINC000970973726 613372499 /nfs/dbraw/zinc/37/24/99/613372499.db2.gz WYVMIEKRHHECGR-QMMMGPOBSA-N 1 2 284.747 1.181 20 30 CDEDLO C=CCn1cccc1C(=O)N(CC)C1C[NH+](CCOC)C1 ZINC000950512371 613435957 /nfs/dbraw/zinc/43/59/57/613435957.db2.gz FMUCKJYGJGETPK-UHFFFAOYSA-N 1 2 291.395 1.467 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000969830014 613475150 /nfs/dbraw/zinc/47/51/50/613475150.db2.gz CNBZNKXHKWRKAF-RISCZKNCSA-N 1 2 294.424 1.831 20 30 CDEDLO C=CCC[NH+]1CC(N(CC)C(=O)c2c[nH]c(C)cc2=O)C1 ZINC000957087750 613479237 /nfs/dbraw/zinc/47/92/37/613479237.db2.gz JJWIUEAVDWFVFW-UHFFFAOYSA-N 1 2 289.379 1.406 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2CCC[C@@H](OC)C2)CC1 ZINC000948694955 613562531 /nfs/dbraw/zinc/56/25/31/613562531.db2.gz XQKWKYONMHIRKI-HZPDHXFCSA-N 1 2 292.423 1.749 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H](C)[C@@H]2CCCO2)CC1 ZINC000957461824 613563259 /nfs/dbraw/zinc/56/32/59/613563259.db2.gz GVQNHYUQGMZYLC-GJZGRUSLSA-N 1 2 278.396 1.359 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)SC)C2)C1 ZINC000972269391 613569984 /nfs/dbraw/zinc/56/99/84/613569984.db2.gz MVOWUDCEZVVCPC-ZFWWWQNUSA-N 1 2 296.436 1.065 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)SC)C2)C1 ZINC000972269391 613569985 /nfs/dbraw/zinc/56/99/85/613569985.db2.gz MVOWUDCEZVVCPC-ZFWWWQNUSA-N 1 2 296.436 1.065 20 30 CDEDLO N#Cc1ccc(NCCCn2cc[nH+]c2)c(CO)c1 ZINC000891409488 617386172 /nfs/dbraw/zinc/38/61/72/617386172.db2.gz SBYRPQUOMQBHMZ-UHFFFAOYSA-N 1 2 256.309 1.749 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC000957445456 613655014 /nfs/dbraw/zinc/65/50/14/613655014.db2.gz MPEUNWXKIWUVIH-XLHUXQDVSA-N 1 2 274.408 1.997 20 30 CDEDLO C=CC[N@H+]1CCCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC000981784176 613680553 /nfs/dbraw/zinc/68/05/53/613680553.db2.gz IXUTYKAQCJXXGM-JTQLQIEISA-N 1 2 294.292 1.997 20 30 CDEDLO C=CC[N@@H+]1CCCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC000981784176 613680555 /nfs/dbraw/zinc/68/05/55/613680555.db2.gz IXUTYKAQCJXXGM-JTQLQIEISA-N 1 2 294.292 1.997 20 30 CDEDLO C=CC[N@H+]1CCCC2(CN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC000981784176 613680558 /nfs/dbraw/zinc/68/05/58/613680558.db2.gz IXUTYKAQCJXXGM-JTQLQIEISA-N 1 2 294.292 1.997 20 30 CDEDLO C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC000981784176 613680561 /nfs/dbraw/zinc/68/05/61/613680561.db2.gz IXUTYKAQCJXXGM-JTQLQIEISA-N 1 2 294.292 1.997 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](OC)C2CCCCC2)CC1 ZINC000957986600 613710688 /nfs/dbraw/zinc/71/06/88/613710688.db2.gz PTKLLXANEOVVQN-HNNXBMFYSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2Cc3ccc(F)cc32)CC1 ZINC000949872409 613711993 /nfs/dbraw/zinc/71/19/93/613711993.db2.gz SKVPZRPUFOKEJJ-OAHLLOKOSA-N 1 2 274.339 1.796 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@]23CCO[C@@H]2CCCC3)CC1 ZINC000949241325 613712068 /nfs/dbraw/zinc/71/20/68/613712068.db2.gz REEZLDAIVOETHO-GDBMZVCRSA-N 1 2 278.396 1.666 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCC[C@H](OC)C2)CC1 ZINC000949935737 613712935 /nfs/dbraw/zinc/71/29/35/613712935.db2.gz WQMMGPYDDUWKBT-KBPBESRZSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3c(c2)nc[nH]c3=O)CC1 ZINC000957669805 613716463 /nfs/dbraw/zinc/71/64/63/613716463.db2.gz RHGWBPSGEBXORJ-UHFFFAOYSA-N 1 2 298.346 1.279 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCC)C2)C1 ZINC000972223409 613723707 /nfs/dbraw/zinc/72/37/07/613723707.db2.gz BRLDHMDBGJMDPK-AWEZNQCLSA-N 1 2 252.358 1.276 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCC)C2)C1 ZINC000972223409 613723708 /nfs/dbraw/zinc/72/37/08/613723708.db2.gz BRLDHMDBGJMDPK-AWEZNQCLSA-N 1 2 252.358 1.276 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cocc3C)C2)C1 ZINC000972493705 613727343 /nfs/dbraw/zinc/72/73/43/613727343.db2.gz GBXXQCNGRVVILR-MRXNPFEDSA-N 1 2 290.363 1.691 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cocc3C)C2)C1 ZINC000972493705 613727344 /nfs/dbraw/zinc/72/73/44/613727344.db2.gz GBXXQCNGRVVILR-MRXNPFEDSA-N 1 2 290.363 1.691 20 30 CDEDLO C#Cc1ccc(NC(=O)/C=C\C[NH+]2CCOCC2)cc1 ZINC000891313331 617417516 /nfs/dbraw/zinc/41/75/16/617417516.db2.gz MMMOCFRXBVQTGB-ARJAWSKDSA-N 1 2 270.332 1.495 20 30 CDEDLO C#C[C@H]([NH2+]Cc1csc(CC)n1)[C@@H]1CCCO1 ZINC000775341297 617520097 /nfs/dbraw/zinc/52/00/97/617520097.db2.gz LIRYOFSAYIEDRC-RYUDHWBXSA-N 1 2 250.367 1.976 20 30 CDEDLO C=CCCCN(CC)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000892600713 617528691 /nfs/dbraw/zinc/52/86/91/617528691.db2.gz VGSUJUDNJOCUOQ-CQSZACIVSA-N 1 2 283.416 1.705 20 30 CDEDLO C=CCCCN(CC)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000892600713 617528693 /nfs/dbraw/zinc/52/86/93/617528693.db2.gz VGSUJUDNJOCUOQ-CQSZACIVSA-N 1 2 283.416 1.705 20 30 CDEDLO CCc1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC000971218522 615705000 /nfs/dbraw/zinc/70/50/00/615705000.db2.gz OFHGTRGIYWZOMO-NWDGAFQWSA-N 1 2 290.367 1.429 20 30 CDEDLO CCc1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC000971218522 615705002 /nfs/dbraw/zinc/70/50/02/615705002.db2.gz OFHGTRGIYWZOMO-NWDGAFQWSA-N 1 2 290.367 1.429 20 30 CDEDLO C=C1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000891895264 617731323 /nfs/dbraw/zinc/73/13/23/617731323.db2.gz GHMKJAQSUXSMSA-CYBMUJFWSA-N 1 2 267.373 1.069 20 30 CDEDLO N#CCN1CC[NH+](Cc2cccc3[nH]c(=O)oc32)CC1 ZINC000891902420 617743865 /nfs/dbraw/zinc/74/38/65/617743865.db2.gz UFZVSYJUSQFSKV-UHFFFAOYSA-N 1 2 272.308 1.175 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891935232 617798066 /nfs/dbraw/zinc/79/80/66/617798066.db2.gz YMMSCCXNEWATME-WOPDTQHZSA-N 1 2 256.321 1.854 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891935232 617798069 /nfs/dbraw/zinc/79/80/69/617798069.db2.gz YMMSCCXNEWATME-WOPDTQHZSA-N 1 2 256.321 1.854 20 30 CDEDLO Cc1coc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1 ZINC000894095161 618388373 /nfs/dbraw/zinc/38/83/73/618388373.db2.gz PKYUBIIJKKIGJJ-CYBMUJFWSA-N 1 2 297.362 1.960 20 30 CDEDLO Cc1coc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1 ZINC000894095161 618388382 /nfs/dbraw/zinc/38/83/82/618388382.db2.gz PKYUBIIJKKIGJJ-CYBMUJFWSA-N 1 2 297.362 1.960 20 30 CDEDLO C#C[C@@H]1CCCN(c2cc(N[C@H](CC)CO)[nH+]cn2)C1 ZINC000894427507 618881449 /nfs/dbraw/zinc/88/14/49/618881449.db2.gz KNZMIPMBPSHRMD-CHWSQXEVSA-N 1 2 274.368 1.509 20 30 CDEDLO C#C[C@@H]1CCCN(c2cc(N[C@H](CC)CO)nc[nH+]2)C1 ZINC000894427507 618881451 /nfs/dbraw/zinc/88/14/51/618881451.db2.gz KNZMIPMBPSHRMD-CHWSQXEVSA-N 1 2 274.368 1.509 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(O)cc(Cl)c2)C1 ZINC000895106169 619295124 /nfs/dbraw/zinc/29/51/24/619295124.db2.gz CXMKGMAYITYTNT-ZDUSSCGKSA-N 1 2 266.728 1.896 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(O)cc(Cl)c2)C1 ZINC000895106169 619295128 /nfs/dbraw/zinc/29/51/28/619295128.db2.gz CXMKGMAYITYTNT-ZDUSSCGKSA-N 1 2 266.728 1.896 20 30 CDEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2cnccn2)s1 ZINC000794702382 619433345 /nfs/dbraw/zinc/43/33/45/619433345.db2.gz PLROLVSGHLUZBJ-ARJAWSKDSA-N 1 2 274.349 1.891 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)cc1 ZINC000896042385 619960893 /nfs/dbraw/zinc/96/08/93/619960893.db2.gz HPUUVLLEGWUWJV-CYBMUJFWSA-N 1 2 272.348 1.118 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[N@H+]2CCO[C@H](C)C2)cc1 ZINC000896042385 619960897 /nfs/dbraw/zinc/96/08/97/619960897.db2.gz HPUUVLLEGWUWJV-CYBMUJFWSA-N 1 2 272.348 1.118 20 30 CDEDLO CCn1c[nH+]c2c1CCN(c1ccnc(C#N)c1)C2 ZINC000896655316 620185234 /nfs/dbraw/zinc/18/52/34/620185234.db2.gz VZLYGSINJJYNBI-UHFFFAOYSA-N 1 2 253.309 1.732 20 30 CDEDLO C=CCCCC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928638210 620286577 /nfs/dbraw/zinc/28/65/77/620286577.db2.gz CEJHJAAUWWODJO-ZDUSSCGKSA-N 1 2 254.374 1.570 20 30 CDEDLO CC#CC[N@@H+](C)Cc1cc(Br)nn1C ZINC000897167891 620399154 /nfs/dbraw/zinc/39/91/54/620399154.db2.gz VXFUKVCGOKGVTP-UHFFFAOYSA-N 1 2 256.147 1.638 20 30 CDEDLO CC#CC[N@H+](C)Cc1cc(Br)nn1C ZINC000897167891 620399152 /nfs/dbraw/zinc/39/91/52/620399152.db2.gz VXFUKVCGOKGVTP-UHFFFAOYSA-N 1 2 256.147 1.638 20 30 CDEDLO CC#CC[N@H+](C)Cc1c(C)nn(C)c1N1CCOCC1 ZINC000897167086 620399163 /nfs/dbraw/zinc/39/91/63/620399163.db2.gz WLJLURRECBEKKB-UHFFFAOYSA-N 1 2 276.384 1.020 20 30 CDEDLO CC#CC[N@@H+](C)Cc1c(C)nn(C)c1N1CCOCC1 ZINC000897167086 620399164 /nfs/dbraw/zinc/39/91/64/620399164.db2.gz WLJLURRECBEKKB-UHFFFAOYSA-N 1 2 276.384 1.020 20 30 CDEDLO C=CCCOCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897228538 620430744 /nfs/dbraw/zinc/43/07/44/620430744.db2.gz PZNOOTLCDSKAQX-CQSZACIVSA-N 1 2 292.383 1.499 20 30 CDEDLO C=CCCOCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897228538 620430750 /nfs/dbraw/zinc/43/07/50/620430750.db2.gz PZNOOTLCDSKAQX-CQSZACIVSA-N 1 2 292.383 1.499 20 30 CDEDLO CCC[C@H](C#N)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000900470562 623106723 /nfs/dbraw/zinc/10/67/23/623106723.db2.gz XCELSCQBJAFKID-ZWNOBZJWSA-N 1 2 275.356 1.598 20 30 CDEDLO CCC[C@H](C#N)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000900470562 623106733 /nfs/dbraw/zinc/10/67/33/623106733.db2.gz XCELSCQBJAFKID-ZWNOBZJWSA-N 1 2 275.356 1.598 20 30 CDEDLO NC(=[NH+]OCc1noc2c1COCC2)c1ccc(F)cc1 ZINC000902693869 625231880 /nfs/dbraw/zinc/23/18/80/625231880.db2.gz QOXRURWGHOOGAV-UHFFFAOYSA-N 1 2 291.282 1.724 20 30 CDEDLO C=CCCCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000907853307 627859397 /nfs/dbraw/zinc/85/93/97/627859397.db2.gz SJYOMSCNBBHOHR-UHFFFAOYSA-N 1 2 291.395 1.516 20 30 CDEDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1cc(C#N)ccn1 ZINC000909019344 628482005 /nfs/dbraw/zinc/48/20/05/628482005.db2.gz FDYFDASUNRSDNI-CYBMUJFWSA-N 1 2 259.309 1.481 20 30 CDEDLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1cc(C#N)ccn1 ZINC000909019344 628482007 /nfs/dbraw/zinc/48/20/07/628482007.db2.gz FDYFDASUNRSDNI-CYBMUJFWSA-N 1 2 259.309 1.481 20 30 CDEDLO Cc1[nH+]c(C=NNc2nc(C)cc(=O)[nH]2)c2ccccn12 ZINC000914601026 631526813 /nfs/dbraw/zinc/52/68/13/631526813.db2.gz FLWNCMYZEVOEJS-UHFFFAOYSA-N 1 2 282.307 1.893 20 30 CDEDLO Cc1cc(C)c(CNS(=O)(=O)CC(C)(C)C#N)c[nH+]1 ZINC000916158640 631928823 /nfs/dbraw/zinc/92/88/23/631928823.db2.gz UTOBRLUXROERHF-UHFFFAOYSA-N 1 2 281.381 1.668 20 30 CDEDLO C[Si](C)(C)C#Cc1ccnc(-n2[nH]c(=O)nc2C[NH3+])c1 ZINC001157940275 1162598801 /nfs/dbraw/zinc/59/88/01/1162598801.db2.gz JIMXNEZZFHWPOW-UHFFFAOYSA-N 1 2 287.399 1.056 20 30 CDEDLO Cc1cnc(C[NH2+]C/C=C\CNC(=O)C#CC(C)C)o1 ZINC001754132069 1158799547 /nfs/dbraw/zinc/79/95/47/1158799547.db2.gz KILWIMYLNBBCAC-PLNGDYQASA-N 1 2 275.352 1.404 20 30 CDEDLO C=CCOCC(=O)N(CC)CCNc1cc[nH+]c(C)n1 ZINC001106716321 1161165631 /nfs/dbraw/zinc/16/56/31/1161165631.db2.gz DYWMVEPJSUIGCL-UHFFFAOYSA-N 1 2 278.356 1.248 20 30 CDEDLO C#CCCCC(=O)N[C@H](C)[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001113010382 1162069201 /nfs/dbraw/zinc/06/92/01/1162069201.db2.gz YHHSGZIMOJOTJG-NWDGAFQWSA-N 1 2 274.368 1.894 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)CCCOC)CC1 ZINC001113507196 1162200990 /nfs/dbraw/zinc/20/09/90/1162200990.db2.gz DBWJVKDZUFUQLE-CYBMUJFWSA-N 1 2 254.374 1.379 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001132391631 1163264175 /nfs/dbraw/zinc/26/41/75/1163264175.db2.gz MKJFHTWLIOIEMQ-VIFPVBQESA-N 1 2 268.386 1.517 20 30 CDEDLO C#C[C@@H]([NH2+]C1CC[NH+](CCCC(=O)[O-])CC1)[C@H]1CCCO1 ZINC001609057632 1164750078 /nfs/dbraw/zinc/75/00/78/1164750078.db2.gz AYLIUINQKKPUDK-HUUCEWRRSA-N 1 2 294.395 1.086 20 30 CDEDLO Cc1nc(N2C[C@H](NC(=O)C#CC3CC3)C(C)(C)C2)cc[nH+]1 ZINC001114450905 1165094883 /nfs/dbraw/zinc/09/48/83/1165094883.db2.gz LYGLMGABPUFOCT-AWEZNQCLSA-N 1 2 298.390 1.529 20 30 CDEDLO C=CCCC(=O)NCCC[NH2+]Cc1noc(CCCC)n1 ZINC001155579473 1167239780 /nfs/dbraw/zinc/23/97/80/1167239780.db2.gz BLKGEPHRJHCAIF-UHFFFAOYSA-N 1 2 294.399 1.974 20 30 CDEDLO N#C[C@@H]1CCC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001592672848 1173962085 /nfs/dbraw/zinc/96/20/85/1173962085.db2.gz OPEINZIXBUZLAB-LBPRGKRZSA-N 1 2 298.350 1.481 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001592672848 1173962087 /nfs/dbraw/zinc/96/20/87/1173962087.db2.gz OPEINZIXBUZLAB-LBPRGKRZSA-N 1 2 298.350 1.481 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([NH2+]Cc2nncs2)C1 ZINC001690661464 1175540110 /nfs/dbraw/zinc/54/01/10/1175540110.db2.gz LPCGPELRHCSBLO-JTQLQIEISA-N 1 2 266.370 1.195 20 30 CDEDLO CC[C@H]([NH2+]CC1(C#N)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001604052993 1175734732 /nfs/dbraw/zinc/73/47/32/1175734732.db2.gz AJTYCBNWVYEBDQ-LBPRGKRZSA-N 1 2 298.350 1.917 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCCC[N@H+](C)Cc1nnc(C)o1 ZINC001752056320 1184813736 /nfs/dbraw/zinc/81/37/36/1184813736.db2.gz QPKBPWSFWWTACV-OAHLLOKOSA-N 1 2 294.399 1.918 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCCC[N@@H+](C)Cc1nnc(C)o1 ZINC001752056320 1184813741 /nfs/dbraw/zinc/81/37/41/1184813741.db2.gz QPKBPWSFWWTACV-OAHLLOKOSA-N 1 2 294.399 1.918 20 30 CDEDLO C[C@@H]1CCCC[C@]1(CNCC#N)NC(=O)Cn1cc[nH+]c1 ZINC001753538378 1185250360 /nfs/dbraw/zinc/25/03/60/1185250360.db2.gz ZIJAFHWZNCYZCG-UKRRQHHQSA-N 1 2 289.383 1.061 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C[C@H]2C=CCC2)C1 ZINC001753646654 1185284199 /nfs/dbraw/zinc/28/41/99/1185284199.db2.gz VGRBPMBCIACRJE-UONOGXRCSA-N 1 2 264.369 1.346 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C[C@H]2C=CCC2)C1 ZINC001753646654 1185284203 /nfs/dbraw/zinc/28/42/03/1185284203.db2.gz VGRBPMBCIACRJE-UONOGXRCSA-N 1 2 264.369 1.346 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C=C(C)C)C1 ZINC001753646670 1185285604 /nfs/dbraw/zinc/28/56/04/1185285604.db2.gz VNONNJUQYIEXOY-CYBMUJFWSA-N 1 2 252.358 1.346 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C=C(C)C)C1 ZINC001753646670 1185285616 /nfs/dbraw/zinc/28/56/16/1185285616.db2.gz VNONNJUQYIEXOY-CYBMUJFWSA-N 1 2 252.358 1.346 20 30 CDEDLO CCN(CC[NH2+]Cc1ncc(C)o1)C(=O)C#CC(C)C ZINC001754044316 1185439373 /nfs/dbraw/zinc/43/93/73/1185439373.db2.gz ZPPOKMVHGKESBL-UHFFFAOYSA-N 1 2 277.368 1.581 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)CC(=C)Cl ZINC001754311151 1185569261 /nfs/dbraw/zinc/56/92/61/1185569261.db2.gz NKXGYLOQGDUGMA-RYUDHWBXSA-N 1 2 272.776 1.214 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CC(=C)Cl ZINC001754311151 1185569266 /nfs/dbraw/zinc/56/92/66/1185569266.db2.gz NKXGYLOQGDUGMA-RYUDHWBXSA-N 1 2 272.776 1.214 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](CC)OC1CCCCC1 ZINC001754481759 1185637449 /nfs/dbraw/zinc/63/74/49/1185637449.db2.gz BGOGYIUKBKUMCR-HOCLYGCPSA-N 1 2 292.423 1.938 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](CC)OC1CCCCC1 ZINC001754481759 1185637451 /nfs/dbraw/zinc/63/74/51/1185637451.db2.gz BGOGYIUKBKUMCR-HOCLYGCPSA-N 1 2 292.423 1.938 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)c1cccc(C)c1 ZINC001754495530 1185642939 /nfs/dbraw/zinc/64/29/39/1185642939.db2.gz MNFKYQDMKKGKDN-ZBFHGGJFSA-N 1 2 270.376 1.922 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)c1cccc(C)c1 ZINC001754495530 1185642942 /nfs/dbraw/zinc/64/29/42/1185642942.db2.gz MNFKYQDMKKGKDN-ZBFHGGJFSA-N 1 2 270.376 1.922 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)C(CC)CC)C1 ZINC001754569823 1185666244 /nfs/dbraw/zinc/66/62/44/1185666244.db2.gz VSTBLAYVWBBARU-UHFFFAOYSA-N 1 2 268.401 1.768 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)CC2CC2)C1 ZINC001754569640 1185668746 /nfs/dbraw/zinc/66/87/46/1185668746.db2.gz OWTIQJCKUMAXEH-UHFFFAOYSA-N 1 2 252.358 1.132 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H](O)C(C)C)cc2C1 ZINC001755100636 1185814991 /nfs/dbraw/zinc/81/49/91/1185814991.db2.gz AUPPYCGYHFSUKG-MRXNPFEDSA-N 1 2 286.375 1.269 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H](O)C(C)C)cc2C1 ZINC001755100636 1185815005 /nfs/dbraw/zinc/81/50/05/1185815005.db2.gz AUPPYCGYHFSUKG-MRXNPFEDSA-N 1 2 286.375 1.269 20 30 CDEDLO CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)c2cncc3nc[nH]c32)C1 ZINC001755470903 1185960613 /nfs/dbraw/zinc/96/06/13/1185960613.db2.gz FHCCSCGJROEJPA-HAQNSBGRSA-N 1 2 297.362 1.079 20 30 CDEDLO N#CCCN1CC[NH+](Cc2ccc(N3CCCC3)o2)CC1 ZINC001137068010 1165514769 /nfs/dbraw/zinc/51/47/69/1165514769.db2.gz RKVLPDNPMNDGQP-UHFFFAOYSA-N 1 2 288.395 1.911 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccncc2C)C1 ZINC001042723742 844017141 /nfs/dbraw/zinc/01/71/41/844017141.db2.gz ZKAKEAAMTYVMHI-UHFFFAOYSA-N 1 2 259.353 1.261 20 30 CDEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)C3CCC3)C2)CC1 ZINC001051963814 844021285 /nfs/dbraw/zinc/02/12/85/844021285.db2.gz CILGTUHSTKSWGQ-MRXNPFEDSA-N 1 2 289.423 1.028 20 30 CDEDLO COCC[NH+](CCOC)Cc1cc(C#N)c(F)cc1F ZINC001237529466 1167394767 /nfs/dbraw/zinc/39/47/67/1167394767.db2.gz FBGFWVZZHGSJAA-UHFFFAOYSA-N 1 2 284.306 1.931 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cncnc1 ZINC001024406344 844053741 /nfs/dbraw/zinc/05/37/41/844053741.db2.gz REQSMJYMXBAHPB-CYBMUJFWSA-N 1 2 294.786 1.813 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cncnc1 ZINC001024406344 844053752 /nfs/dbraw/zinc/05/37/52/844053752.db2.gz REQSMJYMXBAHPB-CYBMUJFWSA-N 1 2 294.786 1.813 20 30 CDEDLO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCc2cnn[nH]2)[C@@H]1C ZINC000987024776 844080369 /nfs/dbraw/zinc/08/03/69/844080369.db2.gz HDSXXQJQPSIGPC-ZYHUDNBSSA-N 1 2 297.790 1.069 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1CCCNC1=O ZINC000853685702 844080904 /nfs/dbraw/zinc/08/09/04/844080904.db2.gz NPWVIHZBKRERTH-CYBMUJFWSA-N 1 2 287.363 1.812 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CF)CCC1 ZINC001017965955 844087819 /nfs/dbraw/zinc/08/78/19/844087819.db2.gz QJWOHWHOZGZIFN-BETUJISGSA-N 1 2 264.344 1.435 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CF)CCC1 ZINC001017965955 844087829 /nfs/dbraw/zinc/08/78/29/844087829.db2.gz QJWOHWHOZGZIFN-BETUJISGSA-N 1 2 264.344 1.435 20 30 CDEDLO COc1ccc(C)cc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000819392409 844222014 /nfs/dbraw/zinc/22/20/14/844222014.db2.gz AFCQXRHKUOPTED-CYBMUJFWSA-N 1 2 277.368 1.622 20 30 CDEDLO COc1ccc(C)cc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000819392409 844222037 /nfs/dbraw/zinc/22/20/37/844222037.db2.gz AFCQXRHKUOPTED-CYBMUJFWSA-N 1 2 277.368 1.622 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC2(CCC2)C[C@@H]1C ZINC000884375501 844320214 /nfs/dbraw/zinc/32/02/14/844320214.db2.gz BRKYYHQCEWRURI-RYUDHWBXSA-N 1 2 280.368 1.224 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC001038730002 844356634 /nfs/dbraw/zinc/35/66/34/844356634.db2.gz XAHFNWACGXLLNX-LLVKDONJSA-N 1 2 296.292 1.931 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC001038730002 844356645 /nfs/dbraw/zinc/35/66/45/844356645.db2.gz XAHFNWACGXLLNX-LLVKDONJSA-N 1 2 296.292 1.931 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)c(C)cc1F ZINC001032460879 844366178 /nfs/dbraw/zinc/36/61/78/844366178.db2.gz IIWIRGQOOCAAJM-RYUDHWBXSA-N 1 2 290.313 1.805 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)c(C)cc1F ZINC001032460879 844366193 /nfs/dbraw/zinc/36/61/93/844366193.db2.gz IIWIRGQOOCAAJM-RYUDHWBXSA-N 1 2 290.313 1.805 20 30 CDEDLO C#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)(C)C ZINC000854480191 844419183 /nfs/dbraw/zinc/41/91/83/844419183.db2.gz SPNVJBXASTUIIE-NQBHXWOUSA-N 1 2 259.353 1.688 20 30 CDEDLO COCC[N@H+](CCC#N)CC[C@@H](O)c1ccccc1 ZINC000387998926 844472033 /nfs/dbraw/zinc/47/20/33/844472033.db2.gz OBAJXSGRHGTYLT-OAHLLOKOSA-N 1 2 262.353 1.972 20 30 CDEDLO COCC[N@@H+](CCC#N)CC[C@@H](O)c1ccccc1 ZINC000387998926 844472039 /nfs/dbraw/zinc/47/20/39/844472039.db2.gz OBAJXSGRHGTYLT-OAHLLOKOSA-N 1 2 262.353 1.972 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001031131334 844491969 /nfs/dbraw/zinc/49/19/69/844491969.db2.gz AZOLYDHQDWSXOH-UHFFFAOYSA-N 1 2 293.370 1.981 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccn(C)n1 ZINC001024800049 844516910 /nfs/dbraw/zinc/51/69/10/844516910.db2.gz VOWUKSKPYVWNGM-LBPRGKRZSA-N 1 2 296.802 1.757 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn(C)n1 ZINC001024800049 844516920 /nfs/dbraw/zinc/51/69/20/844516920.db2.gz VOWUKSKPYVWNGM-LBPRGKRZSA-N 1 2 296.802 1.757 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(F)cccc2F)C1 ZINC001044226506 844527867 /nfs/dbraw/zinc/52/78/67/844527867.db2.gz YUGCMOVGWALCGR-UHFFFAOYSA-N 1 2 278.302 1.744 20 30 CDEDLO Cc1nc(N[C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cc[nH+]1 ZINC001059186423 844548596 /nfs/dbraw/zinc/54/85/96/844548596.db2.gz MWISUEWMGPPBFW-HAQNSBGRSA-N 1 2 296.334 1.358 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000787139090 844566697 /nfs/dbraw/zinc/56/66/97/844566697.db2.gz QBUMKVNAZZDESE-KBPBESRZSA-N 1 2 281.400 1.457 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000787139090 844566707 /nfs/dbraw/zinc/56/67/07/844566707.db2.gz QBUMKVNAZZDESE-KBPBESRZSA-N 1 2 281.400 1.457 20 30 CDEDLO N#CCN[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000999500436 844580102 /nfs/dbraw/zinc/58/01/02/844580102.db2.gz BEJPITSSKIHWHJ-LBPRGKRZSA-N 1 2 283.335 1.281 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ncc3ccccn32)C1 ZINC001030676075 843016149 /nfs/dbraw/zinc/01/61/49/843016149.db2.gz SCLMRSRXRYORTP-UHFFFAOYSA-N 1 2 270.336 1.324 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCOC1 ZINC001054034259 843030498 /nfs/dbraw/zinc/03/04/98/843030498.db2.gz LJEUEBHFBJINSV-IAGOWNOFSA-N 1 2 298.386 1.199 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCOC1 ZINC001054034259 843030511 /nfs/dbraw/zinc/03/05/11/843030511.db2.gz LJEUEBHFBJINSV-IAGOWNOFSA-N 1 2 298.386 1.199 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2ccncc2C1 ZINC001032629670 843077554 /nfs/dbraw/zinc/07/75/54/843077554.db2.gz ICDXRDYYTLFDAO-PVAVHDDUSA-N 1 2 295.386 1.105 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2ccncc2C1 ZINC001032629670 843077570 /nfs/dbraw/zinc/07/75/70/843077570.db2.gz ICDXRDYYTLFDAO-PVAVHDDUSA-N 1 2 295.386 1.105 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000839105848 843096408 /nfs/dbraw/zinc/09/64/08/843096408.db2.gz VWZKXHFXHLJQKT-IAQYHMDHSA-N 1 2 283.368 1.768 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000839105848 843096411 /nfs/dbraw/zinc/09/64/11/843096411.db2.gz VWZKXHFXHLJQKT-IAQYHMDHSA-N 1 2 283.368 1.768 20 30 CDEDLO C[C@H]1C[N@H+](C)CC1N=Nc1cccc(S(C)(=O)=O)c1 ZINC000776263216 843128027 /nfs/dbraw/zinc/12/80/27/843128027.db2.gz OUBXXQHSWQSMMJ-JTQLQIEISA-N 1 2 281.381 1.440 20 30 CDEDLO C[C@H]1C[N@@H+](C)CC1N=Nc1cccc(S(C)(=O)=O)c1 ZINC000776263216 843128041 /nfs/dbraw/zinc/12/80/41/843128041.db2.gz OUBXXQHSWQSMMJ-JTQLQIEISA-N 1 2 281.381 1.440 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC1(C)C)CO2 ZINC001053780254 843304985 /nfs/dbraw/zinc/30/49/85/843304985.db2.gz DXRKURJVUUBTMR-QWHCGFSZSA-N 1 2 278.396 1.568 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001030667706 843445381 /nfs/dbraw/zinc/44/53/81/843445381.db2.gz TWXPUWRJVWGDMM-LSDHHAIUSA-N 1 2 278.396 1.426 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2=COCCC2)C1 ZINC001032939111 843448622 /nfs/dbraw/zinc/44/86/22/843448622.db2.gz BMLSCVCJLJCMBR-ZDUSSCGKSA-N 1 2 284.787 1.966 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2=COCCC2)C1 ZINC001032939111 843448640 /nfs/dbraw/zinc/44/86/40/843448640.db2.gz BMLSCVCJLJCMBR-ZDUSSCGKSA-N 1 2 284.787 1.966 20 30 CDEDLO C=C(Cl)CN1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001030468923 843452592 /nfs/dbraw/zinc/45/25/92/843452592.db2.gz OGFMDHQSUYVRPQ-GHMZBOCLSA-N 1 2 280.759 1.066 20 30 CDEDLO C=C(Cl)CN1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001030468923 843452638 /nfs/dbraw/zinc/45/26/38/843452638.db2.gz OGFMDHQSUYVRPQ-GHMZBOCLSA-N 1 2 280.759 1.066 20 30 CDEDLO C[C@H](C#N)OCC[N@H+](CCO)Cc1cccnc1Cl ZINC000801953786 843498305 /nfs/dbraw/zinc/49/83/05/843498305.db2.gz VEQFLUHBUCITHT-LLVKDONJSA-N 1 2 283.759 1.458 20 30 CDEDLO C[C@H](C#N)OCC[N@@H+](CCO)Cc1cccnc1Cl ZINC000801953786 843498316 /nfs/dbraw/zinc/49/83/16/843498316.db2.gz VEQFLUHBUCITHT-LLVKDONJSA-N 1 2 283.759 1.458 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C2CC2)on1 ZINC001038570321 843511760 /nfs/dbraw/zinc/51/17/60/843511760.db2.gz LRMGTQVRDYVZIG-LBPRGKRZSA-N 1 2 273.336 1.379 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C2CC2)on1 ZINC001038570321 843511770 /nfs/dbraw/zinc/51/17/70/843511770.db2.gz LRMGTQVRDYVZIG-LBPRGKRZSA-N 1 2 273.336 1.379 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC000829974894 843530157 /nfs/dbraw/zinc/53/01/57/843530157.db2.gz LGSVVBQSKJFYSL-LBPRGKRZSA-N 1 2 251.717 1.585 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC000829974894 843530133 /nfs/dbraw/zinc/53/01/33/843530133.db2.gz LGSVVBQSKJFYSL-LBPRGKRZSA-N 1 2 251.717 1.585 20 30 CDEDLO N#CC[C@@H](O)C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000929264933 843550955 /nfs/dbraw/zinc/55/09/55/843550955.db2.gz KRDWGUAAXGONGD-OAHLLOKOSA-N 1 2 282.347 1.505 20 30 CDEDLO N#CC[C@@H](O)C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000929264933 843550991 /nfs/dbraw/zinc/55/09/91/843550991.db2.gz KRDWGUAAXGONGD-OAHLLOKOSA-N 1 2 282.347 1.505 20 30 CDEDLO N#CCOc1cccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000822400420 843568924 /nfs/dbraw/zinc/56/89/24/843568924.db2.gz IFJIMLCNKPGOBV-LBPRGKRZSA-N 1 2 296.330 1.987 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cccc3cc[nH]c32)C1 ZINC001035520578 843595405 /nfs/dbraw/zinc/59/54/05/843595405.db2.gz SEMYGUSXGXTPCN-AWEZNQCLSA-N 1 2 299.374 1.785 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cccc3cc[nH]c32)C1 ZINC001035520578 843595431 /nfs/dbraw/zinc/59/54/31/843595431.db2.gz SEMYGUSXGXTPCN-AWEZNQCLSA-N 1 2 299.374 1.785 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c(C)noc2C)C1 ZINC001035281774 843706640 /nfs/dbraw/zinc/70/66/40/843706640.db2.gz DBOYPQZGSYJDCI-CYBMUJFWSA-N 1 2 293.367 1.298 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2c(C)noc2C)C1 ZINC001035281774 843706679 /nfs/dbraw/zinc/70/66/79/843706679.db2.gz DBOYPQZGSYJDCI-CYBMUJFWSA-N 1 2 293.367 1.298 20 30 CDEDLO C#CC[C@H](CCOC)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000863780140 843754755 /nfs/dbraw/zinc/75/47/55/843754755.db2.gz YBAHTTWHSVBNJQ-QWHCGFSZSA-N 1 2 263.341 1.379 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)C2=CCOCC2)CC1 ZINC001000610560 843821978 /nfs/dbraw/zinc/82/19/78/843821978.db2.gz CBVPVEPPQQCRHN-UHFFFAOYSA-N 1 2 296.798 1.834 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)C2=CCOCC2)CC1 ZINC001000610560 843821980 /nfs/dbraw/zinc/82/19/80/843821980.db2.gz CBVPVEPPQQCRHN-UHFFFAOYSA-N 1 2 296.798 1.834 20 30 CDEDLO COCCCO[NH+]=C1CCCc2nc(N)ncc21 ZINC000814931119 843826288 /nfs/dbraw/zinc/82/62/88/843826288.db2.gz JFKKXFYLCSUKET-UHFFFAOYSA-N 1 2 250.302 1.152 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(F)cn1 ZINC001038181878 843843296 /nfs/dbraw/zinc/84/32/96/843843296.db2.gz BWMPOLRCMGTEQC-GFCCVEGCSA-N 1 2 261.300 1.048 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(F)cn1 ZINC001038181878 843843299 /nfs/dbraw/zinc/84/32/99/843843299.db2.gz BWMPOLRCMGTEQC-GFCCVEGCSA-N 1 2 261.300 1.048 20 30 CDEDLO CC[C@H]([NH2+]Cc1ccc(C#N)cn1)c1nccn1C ZINC000783299815 843859101 /nfs/dbraw/zinc/85/91/01/843859101.db2.gz FYUYZSZEHGRKQZ-ZDUSSCGKSA-N 1 2 255.325 1.928 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1coc(C(C)(C)C)n1 ZINC001038240456 843859152 /nfs/dbraw/zinc/85/91/52/843859152.db2.gz JFKGNRZWUBNVEA-NSHDSACASA-N 1 2 275.352 1.409 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(C(C)(C)C)n1 ZINC001038240456 843859153 /nfs/dbraw/zinc/85/91/53/843859153.db2.gz JFKGNRZWUBNVEA-NSHDSACASA-N 1 2 275.352 1.409 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccccc1C)CO2 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C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C\C3CC3)C[C@@H]21 ZINC001074201193 843949681 /nfs/dbraw/zinc/94/96/81/843949681.db2.gz HNYQLAMQSAFERC-SHUKXNKTSA-N 1 2 288.391 1.278 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnnc3ccccc32)C1 ZINC001043971622 843950787 /nfs/dbraw/zinc/95/07/87/843950787.db2.gz SXQZTLPIHVGSHE-UHFFFAOYSA-N 1 2 296.374 1.962 20 30 CDEDLO CCC1N=NC(=S)N1N=Cc1c[nH+]c(C)n1C ZINC000853265314 843985219 /nfs/dbraw/zinc/98/52/19/843985219.db2.gz OHMFRHRYYAGCFM-UHFFFAOYSA-N 1 2 250.331 1.053 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)sc2C)C1 ZINC001035430615 844009512 /nfs/dbraw/zinc/00/95/12/844009512.db2.gz IKCPZBDTKGHBDW-CYBMUJFWSA-N 1 2 294.420 1.982 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(C)sc2C)C1 ZINC001035430615 844009518 /nfs/dbraw/zinc/00/95/18/844009518.db2.gz IKCPZBDTKGHBDW-CYBMUJFWSA-N 1 2 294.420 1.982 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccns1 ZINC001039383020 844654609 /nfs/dbraw/zinc/65/46/09/844654609.db2.gz JQDVYXIWKZPDMJ-OLZOCXBDSA-N 1 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C=CCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]cc3ncnc2-3)C1 ZINC001014507734 844875607 /nfs/dbraw/zinc/87/56/07/844875607.db2.gz XGGLRUGLVOFDPR-LLVKDONJSA-N 1 2 285.351 1.338 20 30 CDEDLO C=CCC[N@H+]1CC[C@@H](NC(=O)c2c[nH]cc3ncnc2-3)C1 ZINC001014507734 844875611 /nfs/dbraw/zinc/87/56/11/844875611.db2.gz XGGLRUGLVOFDPR-LLVKDONJSA-N 1 2 285.351 1.338 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C2CC2)n[nH]1 ZINC001017990554 844879178 /nfs/dbraw/zinc/87/91/78/844879178.db2.gz IBNABAWHCPTWND-OKILXGFUSA-N 1 2 298.390 1.599 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C2CC2)n[nH]1 ZINC001017990554 844879184 /nfs/dbraw/zinc/87/91/84/844879184.db2.gz IBNABAWHCPTWND-OKILXGFUSA-N 1 2 298.390 1.599 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)[nH]c2C)C1 ZINC001035530507 844932603 /nfs/dbraw/zinc/93/26/03/844932603.db2.gz OCRSSWUFQQSIOM-CQSZACIVSA-N 1 2 291.395 1.638 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(C)[nH]c2C)C1 ZINC001035530507 844932612 /nfs/dbraw/zinc/93/26/12/844932612.db2.gz OCRSSWUFQQSIOM-CQSZACIVSA-N 1 2 291.395 1.638 20 30 CDEDLO C=C(CO)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000791364606 844940540 /nfs/dbraw/zinc/94/05/40/844940540.db2.gz VYXXELXIUCLCRP-YVMONPNESA-N 1 2 286.375 1.393 20 30 CDEDLO C#CCOCCN1CC[NH+](Cc2ccsc2)CC1 ZINC000851710554 844948374 /nfs/dbraw/zinc/94/83/74/844948374.db2.gz MVEOLCSNRURBLV-UHFFFAOYSA-N 1 2 264.394 1.516 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001017675760 844988830 /nfs/dbraw/zinc/98/88/30/844988830.db2.gz KHXVAUAWHCJCOL-AALSBFMBSA-N 1 2 272.392 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001017675760 844988836 /nfs/dbraw/zinc/98/88/36/844988836.db2.gz KHXVAUAWHCJCOL-AALSBFMBSA-N 1 2 272.392 1.731 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ocnc1C)CO2 ZINC001053765428 845022459 /nfs/dbraw/zinc/02/24/59/845022459.db2.gz NVTWJEDFXIKNIC-LBPRGKRZSA-N 1 2 291.351 1.132 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccn1C(C)C ZINC001039038927 845047191 /nfs/dbraw/zinc/04/71/91/845047191.db2.gz XMYKVERXFQRGDI-CQSZACIVSA-N 1 2 273.380 1.896 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccn1C(C)C ZINC001039038927 845047198 /nfs/dbraw/zinc/04/71/98/845047198.db2.gz XMYKVERXFQRGDI-CQSZACIVSA-N 1 2 273.380 1.896 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c2ccccc12 ZINC001032503405 845069323 /nfs/dbraw/zinc/06/93/23/845069323.db2.gz POTZIZIISNJLSN-STQMWFEESA-N 1 2 279.343 1.700 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c2ccccc12 ZINC001032503405 845069328 /nfs/dbraw/zinc/06/93/28/845069328.db2.gz POTZIZIISNJLSN-STQMWFEESA-N 1 2 279.343 1.700 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1conc1C)CO2 ZINC001053914016 845076544 /nfs/dbraw/zinc/07/65/44/845076544.db2.gz DNSJRTAZOXQOQU-LBPRGKRZSA-N 1 2 291.351 1.132 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2oc(=O)[nH]c21 ZINC001038525497 845122174 /nfs/dbraw/zinc/12/21/74/845122174.db2.gz 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C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2sccc2CC)C1 ZINC001035609827 845349937 /nfs/dbraw/zinc/34/99/37/845349937.db2.gz RSFVNOMQXWIOCS-ZDUSSCGKSA-N 1 2 294.420 1.927 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2sccc2CC)C1 ZINC001035609827 845349947 /nfs/dbraw/zinc/34/99/47/845349947.db2.gz RSFVNOMQXWIOCS-ZDUSSCGKSA-N 1 2 294.420 1.927 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(CC)oc1C ZINC001032678771 845354181 /nfs/dbraw/zinc/35/41/81/845354181.db2.gz CGIUVBKIJDCEDG-RYUDHWBXSA-N 1 2 275.352 1.630 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(CC)oc1C ZINC001032678771 845354185 /nfs/dbraw/zinc/35/41/85/845354185.db2.gz CGIUVBKIJDCEDG-RYUDHWBXSA-N 1 2 275.352 1.630 20 30 CDEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCO[C@@H](C(=O)C3CC3)C2)CCC1 ZINC000886141172 845377103 /nfs/dbraw/zinc/37/71/03/845377103.db2.gz YWZBVFHYTCNOOZ-ZIAGYGMSSA-N 1 2 292.379 1.111 20 30 CDEDLO N#CC1(C[C@@H](O)C[N@H+]2CCO[C@@H](C(=O)C3CC3)C2)CCC1 ZINC000886141172 845377113 /nfs/dbraw/zinc/37/71/13/845377113.db2.gz 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/nfs/dbraw/zinc/56/91/90/845569190.db2.gz WWFCLHZAIYCTJZ-UHFFFAOYSA-N 1 2 262.382 1.745 20 30 CDEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CCC)C2)CC1 ZINC001051971838 845622455 /nfs/dbraw/zinc/62/24/55/845622455.db2.gz ZVQQVXHOILAXHL-OAHLLOKOSA-N 1 2 277.412 1.028 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)o1 ZINC001032279786 845622611 /nfs/dbraw/zinc/62/26/11/845622611.db2.gz DWEGXGNPIRTLSA-QWRGUYRKSA-N 1 2 278.739 1.855 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)o1 ZINC001032279786 845622616 /nfs/dbraw/zinc/62/26/16/845622616.db2.gz DWEGXGNPIRTLSA-QWRGUYRKSA-N 1 2 278.739 1.855 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2ccncc2n1 ZINC001038523883 845629673 /nfs/dbraw/zinc/62/96/73/845629673.db2.gz TUGWXPVKFSMPAW-ZDUSSCGKSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2ccncc2n1 ZINC001038523883 845629679 /nfs/dbraw/zinc/62/96/79/845629679.db2.gz TUGWXPVKFSMPAW-ZDUSSCGKSA-N 1 2 280.331 1.067 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000824121061 845716787 /nfs/dbraw/zinc/71/67/87/845716787.db2.gz VTRYDOAXHKJMDW-HNNXBMFYSA-N 1 2 298.427 1.396 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCCCO1 ZINC001018011253 845716864 /nfs/dbraw/zinc/71/68/64/845716864.db2.gz DQVBGOYAZZGFCU-OWCLPIDISA-N 1 2 290.407 1.644 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCCCO1 ZINC001018011253 845716867 /nfs/dbraw/zinc/71/68/67/845716867.db2.gz DQVBGOYAZZGFCU-OWCLPIDISA-N 1 2 290.407 1.644 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cocn2)C1 ZINC001073549264 845744357 /nfs/dbraw/zinc/74/43/57/845744357.db2.gz WWQPNOKNPACDDP-LLVKDONJSA-N 1 2 299.758 1.248 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cocn2)C1 ZINC001073549264 845744358 /nfs/dbraw/zinc/74/43/58/845744358.db2.gz WWQPNOKNPACDDP-LLVKDONJSA-N 1 2 299.758 1.248 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2ccccc2O1 ZINC001038820839 845867115 /nfs/dbraw/zinc/86/71/15/845867115.db2.gz 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C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3cnco3)C[C@@H]21 ZINC001042168729 845887749 /nfs/dbraw/zinc/88/77/49/845887749.db2.gz APSWCAHXYFXFOO-RYUDHWBXSA-N 1 2 295.770 1.964 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2OCCc3ccccc32)C1 ZINC001031282218 845933772 /nfs/dbraw/zinc/93/37/72/845933772.db2.gz ZDVDCCYLUQHYCS-KRWDZBQOSA-N 1 2 298.386 1.514 20 30 CDEDLO N#C[C@@H]1CC[C@H]([NH2+]c2ccc(N3CCNC(=O)C3)cc2)C1 ZINC000799721422 845961558 /nfs/dbraw/zinc/96/15/58/845961558.db2.gz FYBAEDIYLFLJAW-OCCSQVGLSA-N 1 2 284.363 1.727 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2CCC(OC)CC2)C1 ZINC001043693349 845979561 /nfs/dbraw/zinc/97/95/61/845979561.db2.gz UELMISUZEQYRTA-UHFFFAOYSA-N 1 2 280.412 1.910 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(CC)ncnc1CC ZINC001038709587 845982962 /nfs/dbraw/zinc/98/29/62/845982962.db2.gz GICGOVWJYMKBED-GFCCVEGCSA-N 1 2 286.379 1.039 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(CC)ncnc1CC ZINC001038709587 845982970 /nfs/dbraw/zinc/98/29/70/845982970.db2.gz 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/nfs/dbraw/zinc/10/71/17/846107117.db2.gz UNMJYUJEQNMWRT-AWEZNQCLSA-N 1 2 289.379 1.397 20 30 CDEDLO C#C[C@@H](NC(=O)Nc1ccn2cc[nH+]c2c1)[C@@H]1CCCO1 ZINC000810229219 846119524 /nfs/dbraw/zinc/11/95/24/846119524.db2.gz UUTHTNBQKLJNMI-OLZOCXBDSA-N 1 2 284.319 1.637 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H](OC)C2)C1 ZINC001031791421 846156839 /nfs/dbraw/zinc/15/68/39/846156839.db2.gz IOKJOOGGHYDKOM-CHWSQXEVSA-N 1 2 286.803 1.602 20 30 CDEDLO C#CCC1(NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CCC1 ZINC000886800465 846206608 /nfs/dbraw/zinc/20/66/08/846206608.db2.gz TYLWAABLBYHSJW-CQSZACIVSA-N 1 2 286.379 1.852 20 30 CDEDLO C#CCC1(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CCC1 ZINC000886800465 846206619 /nfs/dbraw/zinc/20/66/19/846206619.db2.gz TYLWAABLBYHSJW-CQSZACIVSA-N 1 2 286.379 1.852 20 30 CDEDLO CON=Cc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000857964937 846237926 /nfs/dbraw/zinc/23/79/26/846237926.db2.gz DIEWSNYTWBQRIN-CQSZACIVSA-N 1 2 298.346 1.608 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)cc1 ZINC001032749915 846281530 /nfs/dbraw/zinc/28/15/30/846281530.db2.gz HUBQOOOKKSSHCI-GJZGRUSLSA-N 1 2 254.333 1.527 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)cc1 ZINC001032749915 846281541 /nfs/dbraw/zinc/28/15/41/846281541.db2.gz HUBQOOOKKSSHCI-GJZGRUSLSA-N 1 2 254.333 1.527 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccnc(C)n2)C1 ZINC001046844604 846392964 /nfs/dbraw/zinc/39/29/64/846392964.db2.gz RSLXLEGNIYDBOQ-CQSZACIVSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccnc(C)n2)C1 ZINC001046844604 846392971 /nfs/dbraw/zinc/39/29/71/846392971.db2.gz RSLXLEGNIYDBOQ-CQSZACIVSA-N 1 2 294.786 1.732 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)c(C)n1 ZINC001038522972 846481620 /nfs/dbraw/zinc/48/16/20/846481620.db2.gz IXKRIUWUTOGCBX-AWEZNQCLSA-N 1 2 271.364 1.526 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)c(C)n1 ZINC001038522972 846481626 /nfs/dbraw/zinc/48/16/26/846481626.db2.gz 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QQHHYJBVZNOZJM-VIFPVBQESA-N 1 2 266.370 1.091 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2snnc2CC)C1 ZINC001015153877 847304056 /nfs/dbraw/zinc/30/40/56/847304056.db2.gz QQHHYJBVZNOZJM-VIFPVBQESA-N 1 2 266.370 1.091 20 30 CDEDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000877559132 847310983 /nfs/dbraw/zinc/31/09/83/847310983.db2.gz RSAPIMNKCVZGRC-ZDUSSCGKSA-N 1 2 274.324 1.226 20 30 CDEDLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000877559132 847310990 /nfs/dbraw/zinc/31/09/90/847310990.db2.gz RSAPIMNKCVZGRC-ZDUSSCGKSA-N 1 2 274.324 1.226 20 30 CDEDLO C#CC[C@H](CCOC)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000858857276 847352916 /nfs/dbraw/zinc/35/29/16/847352916.db2.gz MDRPVASFFMKTDA-CYBMUJFWSA-N 1 2 274.368 1.917 20 30 CDEDLO C#CC[C@H](CCOC)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000858857276 847352920 /nfs/dbraw/zinc/35/29/20/847352920.db2.gz MDRPVASFFMKTDA-CYBMUJFWSA-N 1 2 274.368 1.917 20 30 CDEDLO C#CCCCC(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC000842886553 847363544 /nfs/dbraw/zinc/36/35/44/847363544.db2.gz JZNZZPTYZCEJFE-UHFFFAOYSA-N 1 2 258.321 1.865 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)c[nH]1 ZINC001017742490 847410597 /nfs/dbraw/zinc/41/05/97/847410597.db2.gz QLPMYRBSKSLDPF-TXEJJXNPSA-N 1 2 261.300 1.076 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)c[nH]1 ZINC001017742490 847410600 /nfs/dbraw/zinc/41/06/00/847410600.db2.gz QLPMYRBSKSLDPF-TXEJJXNPSA-N 1 2 261.300 1.076 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)c(OC)c(C)c1 ZINC001038288436 847430453 /nfs/dbraw/zinc/43/04/53/847430453.db2.gz PVJVLZJSIBUZJC-OAHLLOKOSA-N 1 2 286.375 1.749 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)c(OC)c(C)c1 ZINC001038288436 847430456 /nfs/dbraw/zinc/43/04/56/847430456.db2.gz PVJVLZJSIBUZJC-OAHLLOKOSA-N 1 2 286.375 1.749 20 30 CDEDLO N#Cc1cncc(CN2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000929195176 847431690 /nfs/dbraw/zinc/43/16/90/847431690.db2.gz HPDBTPFUSGBTAY-UHFFFAOYSA-N 1 2 293.374 1.666 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2snnc2C(C)C)C1 ZINC001033523325 847508484 /nfs/dbraw/zinc/50/84/84/847508484.db2.gz PJNIVPQLXKECGB-LLVKDONJSA-N 1 2 292.408 1.441 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2snnc2C(C)C)C1 ZINC001033523325 847508491 /nfs/dbraw/zinc/50/84/91/847508491.db2.gz PJNIVPQLXKECGB-LLVKDONJSA-N 1 2 292.408 1.441 20 30 CDEDLO Cc1ncccc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC001017424020 847509867 /nfs/dbraw/zinc/50/98/67/847509867.db2.gz YQHMMWCIXSBTKJ-VBNZEHGJSA-N 1 2 298.390 1.725 20 30 CDEDLO Cc1ncccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC001017424020 847509871 /nfs/dbraw/zinc/50/98/71/847509871.db2.gz YQHMMWCIXSBTKJ-VBNZEHGJSA-N 1 2 298.390 1.725 20 30 CDEDLO CCCCCCCCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178724591 847541080 /nfs/dbraw/zinc/54/10/80/847541080.db2.gz CEOBCBYLLZBNGZ-HNNXBMFYSA-N 1 2 281.444 1.853 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001038801700 847541967 /nfs/dbraw/zinc/54/19/67/847541967.db2.gz ODTJSEBZQBKACQ-YESZJQIVSA-N 1 2 282.387 1.922 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001038801700 847541973 /nfs/dbraw/zinc/54/19/73/847541973.db2.gz ODTJSEBZQBKACQ-YESZJQIVSA-N 1 2 282.387 1.922 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC001028151463 847543884 /nfs/dbraw/zinc/54/38/84/847543884.db2.gz SPUZOLFZLBAOCC-JHJVBQTASA-N 1 2 286.803 1.887 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC001028151463 847543889 /nfs/dbraw/zinc/54/38/89/847543889.db2.gz SPUZOLFZLBAOCC-JHJVBQTASA-N 1 2 286.803 1.887 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000923159280 847552159 /nfs/dbraw/zinc/55/21/59/847552159.db2.gz CMQDRKHGHSVIGA-MGPQQGTHSA-N 1 2 283.368 1.232 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000923159280 847552164 /nfs/dbraw/zinc/55/21/64/847552164.db2.gz CMQDRKHGHSVIGA-MGPQQGTHSA-N 1 2 283.368 1.232 20 30 CDEDLO C#CCOc1cccc(Cl)c1C[NH2+]CC(=O)NC1CC1 ZINC000778156247 847567948 /nfs/dbraw/zinc/56/79/48/847567948.db2.gz QHMLICRAAGHUDX-UHFFFAOYSA-N 1 2 292.766 1.720 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC001031114887 847585487 /nfs/dbraw/zinc/58/54/87/847585487.db2.gz JWSCCBGUXHSFIM-UHFFFAOYSA-N 1 2 297.362 1.462 20 30 CDEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)CC3CC3)C2)CC1 ZINC001051965604 847651198 /nfs/dbraw/zinc/65/11/98/847651198.db2.gz BXVVQRIXEWNITG-INIZCTEOSA-N 1 2 289.423 1.028 20 30 CDEDLO COc1cc(C#N)ccc1CO[NH+]=C(N)Cc1cccnc1 ZINC000092915289 847666008 /nfs/dbraw/zinc/66/60/08/847666008.db2.gz MQTTXZLFQPCZES-UHFFFAOYSA-N 1 2 296.330 1.993 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928652280 847674905 /nfs/dbraw/zinc/67/49/05/847674905.db2.gz XQHQNIKUKXGSCT-ZBFHGGJFSA-N 1 2 298.427 1.442 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2nn(C)c(C)c2Cl)C1 ZINC001043986784 847695639 /nfs/dbraw/zinc/69/56/39/847695639.db2.gz NUMOYUZVROMEBQ-UHFFFAOYSA-N 1 2 294.786 1.161 20 30 CDEDLO C#C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000843967206 847702971 /nfs/dbraw/zinc/70/29/71/847702971.db2.gz JTRMCMQKAUCWAA-HOCLYGCPSA-N 1 2 279.343 1.936 20 30 CDEDLO O=C(C#CC1CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000837317258 847736065 /nfs/dbraw/zinc/73/60/65/847736065.db2.gz SAEOVLWYTLBULV-UHFFFAOYSA-N 1 2 298.386 1.548 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)nc1OCC ZINC001038865754 847761431 /nfs/dbraw/zinc/76/14/31/847761431.db2.gz XYJBMOFJCGOEKV-CYBMUJFWSA-N 1 2 287.363 1.226 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)nc1OCC ZINC001038865754 847761436 /nfs/dbraw/zinc/76/14/36/847761436.db2.gz XYJBMOFJCGOEKV-CYBMUJFWSA-N 1 2 287.363 1.226 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccn1 ZINC001032246778 847784186 /nfs/dbraw/zinc/78/41/86/847784186.db2.gz HBDUMHAEMZHTAR-STQMWFEESA-N 1 2 255.321 1.004 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccn1 ZINC001032246778 847784196 /nfs/dbraw/zinc/78/41/96/847784196.db2.gz HBDUMHAEMZHTAR-STQMWFEESA-N 1 2 255.321 1.004 20 30 CDEDLO C=CCNN=Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872373606 847809729 /nfs/dbraw/zinc/80/97/29/847809729.db2.gz MNVOKGPJNYZCJS-UHFFFAOYSA-N 1 2 289.379 1.507 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001038441717 847901249 /nfs/dbraw/zinc/90/12/49/847901249.db2.gz CWBNQBFJIIPGIB-LLVKDONJSA-N 1 2 274.368 1.145 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001038441717 847901262 /nfs/dbraw/zinc/90/12/62/847901262.db2.gz CWBNQBFJIIPGIB-LLVKDONJSA-N 1 2 274.368 1.145 20 30 CDEDLO Cn1cc(C(=O)/C=C\c2cccc3[nH+]ccn32)cn1 ZINC000255539434 848000423 /nfs/dbraw/zinc/00/04/23/848000423.db2.gz HHWPREWBERPKPA-WAYWQWQTSA-N 1 2 252.277 1.964 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc3occc3[nH]2)C1 ZINC001030386533 848021295 /nfs/dbraw/zinc/02/12/95/848021295.db2.gz HMFHVHIBAXPPOK-UHFFFAOYSA-N 1 2 259.309 1.751 20 30 CDEDLO C#CC[C@H]([NH2+][C@@H](C)CCCCC(=O)OC)C(=O)OC ZINC001173446171 912563797 /nfs/dbraw/zinc/56/37/97/912563797.db2.gz UGPGUYZWPQRJJY-RYUDHWBXSA-N 1 2 269.341 1.263 20 30 CDEDLO CCCn1cc([NH+]=C(NO)c2ccccc2N)cn1 ZINC001174222028 913027609 /nfs/dbraw/zinc/02/76/09/913027609.db2.gz ZCJROGSMFFMTOV-UHFFFAOYSA-N 1 2 259.313 1.932 20 30 CDEDLO Cc1nc(N[C@H]2CCCN(C(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001095294524 913075768 /nfs/dbraw/zinc/07/57/68/913075768.db2.gz PZEKLKOXJLNMLB-AWEZNQCLSA-N 1 2 286.379 1.847 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001031077657 913563151 /nfs/dbraw/zinc/56/31/51/913563151.db2.gz FMRRXSYRZHQOAJ-LSDHHAIUSA-N 1 2 286.350 1.753 20 30 CDEDLO C#CC[N@H+](CC1CC1)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001345097967 894209992 /nfs/dbraw/zinc/20/99/92/894209992.db2.gz OVPKQAOBWSPZOE-OKILXGFUSA-N 1 2 272.348 1.240 20 30 CDEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001345097967 894210006 /nfs/dbraw/zinc/21/00/06/894210006.db2.gz OVPKQAOBWSPZOE-OKILXGFUSA-N 1 2 272.348 1.240 20 30 CDEDLO Cc1[nH+]cc(Nc2nc(C#N)c(C#N)nc2Cl)cc1N ZINC001210288801 895192309 /nfs/dbraw/zinc/19/23/09/895192309.db2.gz QGLIKIGKJJFCDB-UHFFFAOYSA-N 1 2 285.698 1.903 20 30 CDEDLO Cc1c[nH+]cc(Nc2nc(C#N)c(C#N)nc2N)c1C ZINC001213525429 895754867 /nfs/dbraw/zinc/75/48/67/895754867.db2.gz WOHXUMFEHNHZQX-UHFFFAOYSA-N 1 2 265.280 1.558 20 30 CDEDLO COc1cccc(NC(=O)Cc2c[nH]c[nH+]2)c1C#N ZINC001176832092 914288930 /nfs/dbraw/zinc/28/89/30/914288930.db2.gz HQJIRKKGFYEBHW-UHFFFAOYSA-N 1 2 256.265 1.471 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C=C)CC)[C@H]2C1 ZINC001218523339 899035980 /nfs/dbraw/zinc/03/59/80/899035980.db2.gz LDWULZOBQJADMD-SOUVJXGZSA-N 1 2 276.380 1.134 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C=C)CC)[C@H]2C1 ZINC001218523339 899035997 /nfs/dbraw/zinc/03/59/97/899035997.db2.gz LDWULZOBQJADMD-SOUVJXGZSA-N 1 2 276.380 1.134 20 30 CDEDLO CC(C)=CC(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001268953747 903266874 /nfs/dbraw/zinc/26/68/74/903266874.db2.gz HDJLXWLDBCVGLU-UHFFFAOYSA-N 1 2 298.390 1.507 20 30 CDEDLO CCc1noc(C)c1C[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC001363790388 904784160 /nfs/dbraw/zinc/78/41/60/904784160.db2.gz NZQDAEYYNPYVGZ-UHFFFAOYSA-N 1 2 291.351 1.824 20 30 CDEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCN1CC#N ZINC001087610098 905719732 /nfs/dbraw/zinc/71/97/32/905719732.db2.gz RQQAUQPMQCOFDC-NRWUCQMLSA-N 1 2 287.367 1.006 20 30 CDEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCN1CC#N ZINC001087610098 905719741 /nfs/dbraw/zinc/71/97/41/905719741.db2.gz RQQAUQPMQCOFDC-NRWUCQMLSA-N 1 2 287.367 1.006 20 30 CDEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](C)CC)c2C1 ZINC001128203381 921180776 /nfs/dbraw/zinc/18/07/76/921180776.db2.gz WIEWLPYALDSASO-ZDUSSCGKSA-N 1 2 290.411 1.937 20 30 CDEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H](C)CC)c2C1 ZINC001128203381 921180779 /nfs/dbraw/zinc/18/07/79/921180779.db2.gz WIEWLPYALDSASO-ZDUSSCGKSA-N 1 2 290.411 1.937 20 30 CDEDLO C[NH+]1CC(Oc2ccc3cc(C#N)c(=O)oc3c2)C1 ZINC001227377460 906269612 /nfs/dbraw/zinc/26/96/12/906269612.db2.gz JHJUBMZTJDNRNF-UHFFFAOYSA-N 1 2 256.261 1.357 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001128246034 921227443 /nfs/dbraw/zinc/22/74/43/921227443.db2.gz ONEXLWQZDDTDHD-UHFFFAOYSA-N 1 2 280.372 1.440 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)F)[C@@H](O)C1 ZINC001090001373 921306006 /nfs/dbraw/zinc/30/60/06/921306006.db2.gz NGUJDXZIUJAOTQ-ZJUUUORDSA-N 1 2 278.755 1.038 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)F)[C@@H](O)C1 ZINC001090001373 921306007 /nfs/dbraw/zinc/30/60/07/921306007.db2.gz NGUJDXZIUJAOTQ-ZJUUUORDSA-N 1 2 278.755 1.038 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C)cn2)C1 ZINC001189278831 921393631 /nfs/dbraw/zinc/39/36/31/921393631.db2.gz DLKYVFWXPSORHS-AWEZNQCLSA-N 1 2 288.395 1.784 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C)cn2)C1 ZINC001189278831 921393642 /nfs/dbraw/zinc/39/36/42/921393642.db2.gz DLKYVFWXPSORHS-AWEZNQCLSA-N 1 2 288.395 1.784 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2snnc2C)C1 ZINC001189318820 921426360 /nfs/dbraw/zinc/42/63/60/921426360.db2.gz QJRDRZKKBHPJJD-GFCCVEGCSA-N 1 2 294.424 1.845 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2snnc2C)C1 ZINC001189318820 921426362 /nfs/dbraw/zinc/42/63/62/921426362.db2.gz QJRDRZKKBHPJJD-GFCCVEGCSA-N 1 2 294.424 1.845 20 30 CDEDLO C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001092730388 909497914 /nfs/dbraw/zinc/49/79/14/909497914.db2.gz PWMJCDDAGOFCQY-DGCLKSJQSA-N 1 2 297.362 1.384 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2CCCCCCC2)[C@@H](O)C1 ZINC001083629305 910902883 /nfs/dbraw/zinc/90/28/83/910902883.db2.gz NCBQKFTXLRYJEG-CABCVRRESA-N 1 2 278.396 1.141 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2CCCCCCC2)[C@@H](O)C1 ZINC001083629305 910902893 /nfs/dbraw/zinc/90/28/93/910902893.db2.gz NCBQKFTXLRYJEG-CABCVRRESA-N 1 2 278.396 1.141 20 30 CDEDLO COC(=O)[C@H](Cc1c[nH+]cn1C)N[C@H](C)CCCC#N ZINC001172488074 911727356 /nfs/dbraw/zinc/72/73/56/911727356.db2.gz KYQYGSDNGXILBK-YPMHNXCESA-N 1 2 278.356 1.176 20 30 CDEDLO N#Cc1cnc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)s1 ZINC001178121013 915163928 /nfs/dbraw/zinc/16/39/28/915163928.db2.gz AZJKZAACBCBHKN-SECBINFHSA-N 1 2 287.348 1.090 20 30 CDEDLO C[N@@H+]1CCO[C@H](C(=O)NC(C)(C)c2ccc(C#N)cc2)C1 ZINC001180761034 916616768 /nfs/dbraw/zinc/61/67/68/916616768.db2.gz SWPJDSYSGWNNLY-AWEZNQCLSA-N 1 2 287.363 1.240 20 30 CDEDLO C[N@H+]1CCO[C@H](C(=O)NC(C)(C)c2ccc(C#N)cc2)C1 ZINC001180761034 916616778 /nfs/dbraw/zinc/61/67/78/916616778.db2.gz SWPJDSYSGWNNLY-AWEZNQCLSA-N 1 2 287.363 1.240 20 30 CDEDLO Cc1[nH]c(NC(=O)Cc2cc[nH+]c(N)c2)c(C#N)c1C ZINC001181230973 916937428 /nfs/dbraw/zinc/93/74/28/916937428.db2.gz VTXKPTPTEDRZOX-UHFFFAOYSA-N 1 2 269.308 1.662 20 30 CDEDLO Cn1c[nH+]c(CCNC(=O)Cc2ccccc2C#N)c1 ZINC001181802537 917384457 /nfs/dbraw/zinc/38/44/57/917384457.db2.gz NCQHMJBIOCBCLB-UHFFFAOYSA-N 1 2 268.320 1.193 20 30 CDEDLO Cc1nc([C@@H](C)[NH2+]CCOc2ccc(C#N)cc2)no1 ZINC001254686124 936444490 /nfs/dbraw/zinc/44/44/90/936444490.db2.gz NQTUBGGIHPQISL-SNVBAGLBSA-N 1 2 272.308 1.979 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)OCC)C2 ZINC001110316916 917920093 /nfs/dbraw/zinc/92/00/93/917920093.db2.gz XFZNJSNTIZUZLB-LPWJVIDDSA-N 1 2 286.803 1.885 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)OCC)C2 ZINC001110316916 917920101 /nfs/dbraw/zinc/92/01/01/917920101.db2.gz XFZNJSNTIZUZLB-LPWJVIDDSA-N 1 2 286.803 1.885 20 30 CDEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1cnc(N)nc1)CC2 ZINC001138161360 936482731 /nfs/dbraw/zinc/48/27/31/936482731.db2.gz VFRIIDZMNYQUAP-UHFFFAOYSA-N 1 2 265.320 1.489 20 30 CDEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1cnc(N)nc1)CC2 ZINC001138161360 936482732 /nfs/dbraw/zinc/48/27/32/936482732.db2.gz VFRIIDZMNYQUAP-UHFFFAOYSA-N 1 2 265.320 1.489 20 30 CDEDLO CC(C)[N@@H+]1CC[C@H]1C(=O)Nc1ccc(C#N)cc1C#N ZINC001182862018 918187017 /nfs/dbraw/zinc/18/70/17/918187017.db2.gz OZJINKYNTUWMFB-AWEZNQCLSA-N 1 2 268.320 1.851 20 30 CDEDLO CC(C)[N@H+]1CC[C@H]1C(=O)Nc1ccc(C#N)cc1C#N ZINC001182862018 918187030 /nfs/dbraw/zinc/18/70/30/918187030.db2.gz OZJINKYNTUWMFB-AWEZNQCLSA-N 1 2 268.320 1.851 20 30 CDEDLO C=CCCC(=O)NCc1cn(C2C[NH+](CC(=C)C)C2)nn1 ZINC001107142606 918207918 /nfs/dbraw/zinc/20/79/18/918207918.db2.gz LQUDUCKVNLLKOJ-UHFFFAOYSA-N 1 2 289.383 1.293 20 30 CDEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)CCC)nn2)C1 ZINC001107149486 918214914 /nfs/dbraw/zinc/21/49/14/918214914.db2.gz GZYZPYDMRAUQJT-GFCCVEGCSA-N 1 2 291.399 1.373 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccccc2F)C1 ZINC001107698542 918634015 /nfs/dbraw/zinc/63/40/15/918634015.db2.gz QPKISBHPLSZIKD-MRXNPFEDSA-N 1 2 292.354 1.832 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccccc2F)C1 ZINC001107698542 918634021 /nfs/dbraw/zinc/63/40/21/918634021.db2.gz QPKISBHPLSZIKD-MRXNPFEDSA-N 1 2 292.354 1.832 20 30 CDEDLO N#C[C@@H]1COCCN1C(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183748683 918679373 /nfs/dbraw/zinc/67/93/73/918679373.db2.gz KAZGGMXYQDDTLN-HUUCEWRRSA-N 1 2 285.347 1.012 20 30 CDEDLO N#C[C@@H]1COCCN1C(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001183748683 918679378 /nfs/dbraw/zinc/67/93/78/918679378.db2.gz KAZGGMXYQDDTLN-HUUCEWRRSA-N 1 2 285.347 1.012 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)/C(C)=C\CC)C1 ZINC001107784619 918779728 /nfs/dbraw/zinc/77/97/28/918779728.db2.gz XKSVPYVBKZFJBU-QLBUUCPGSA-N 1 2 266.385 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)/C(C)=C\CC)C1 ZINC001107784619 918779741 /nfs/dbraw/zinc/77/97/41/918779741.db2.gz XKSVPYVBKZFJBU-QLBUUCPGSA-N 1 2 266.385 1.736 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccnc(F)c2)C1 ZINC001107794863 918794046 /nfs/dbraw/zinc/79/40/46/918794046.db2.gz GWHQHYKCVVBPOF-HNNXBMFYSA-N 1 2 293.342 1.227 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccnc(F)c2)C1 ZINC001107794863 918794069 /nfs/dbraw/zinc/79/40/69/918794069.db2.gz GWHQHYKCVVBPOF-HNNXBMFYSA-N 1 2 293.342 1.227 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C#CC(C)(C)C)C1 ZINC001107935299 919072921 /nfs/dbraw/zinc/07/29/21/919072921.db2.gz YZLVNZFXVFYJOW-MRXNPFEDSA-N 1 2 278.396 1.429 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C#CC(C)(C)C)C1 ZINC001107935299 919072931 /nfs/dbraw/zinc/07/29/31/919072931.db2.gz YZLVNZFXVFYJOW-MRXNPFEDSA-N 1 2 278.396 1.429 20 30 CDEDLO N#Cc1ccc(NC(=O)NC2CN(c3cccc[nH+]3)C2)cc1 ZINC001184774530 919277481 /nfs/dbraw/zinc/27/74/81/919277481.db2.gz JXAYVUMTTDULTD-UHFFFAOYSA-N 1 2 293.330 1.964 20 30 CDEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ncccn1 ZINC001272795010 919306955 /nfs/dbraw/zinc/30/69/55/919306955.db2.gz YUUSKYMUNGWXJB-INIZCTEOSA-N 1 2 284.363 1.067 20 30 CDEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ncccn1 ZINC001272795010 919306966 /nfs/dbraw/zinc/30/69/66/919306966.db2.gz YUUSKYMUNGWXJB-INIZCTEOSA-N 1 2 284.363 1.067 20 30 CDEDLO C#CC1CC[NH+](Cc2c(N)ncnc2Cl)CC1 ZINC001139441404 936621458 /nfs/dbraw/zinc/62/14/58/936621458.db2.gz BEJARRYIXGMNQF-UHFFFAOYSA-N 1 2 250.733 1.557 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c1 ZINC001139646696 936633753 /nfs/dbraw/zinc/63/37/53/936633753.db2.gz FPBYRLGHIKGMDX-CHWSQXEVSA-N 1 2 252.264 1.602 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](F)[C@H](O)C2)c1 ZINC001139646696 936633754 /nfs/dbraw/zinc/63/37/54/936633754.db2.gz FPBYRLGHIKGMDX-CHWSQXEVSA-N 1 2 252.264 1.602 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nonc3C)C[C@H]21 ZINC001187191555 920397902 /nfs/dbraw/zinc/39/79/02/920397902.db2.gz LXOGLNLQZNXHTF-GXTWGEPZSA-N 1 2 290.367 1.377 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]2C[N@H+](Cc3nonc3C)C[C@H]21 ZINC001187191555 920397914 /nfs/dbraw/zinc/39/79/14/920397914.db2.gz LXOGLNLQZNXHTF-GXTWGEPZSA-N 1 2 290.367 1.377 20 30 CDEDLO C#Cc1cc(NC(=O)c2ccccc2-n2cc[nH+]c2)ccn1 ZINC001190075590 921830209 /nfs/dbraw/zinc/83/02/09/921830209.db2.gz ZAIGVDKKBFSCKI-UHFFFAOYSA-N 1 2 288.310 1.923 20 30 CDEDLO N#CC1(C(=O)N2CC[N@@H+]3CCc4ccccc4[C@H]3C2)CC1 ZINC001143176496 922172207 /nfs/dbraw/zinc/17/22/07/922172207.db2.gz FWONZQXBDDSSRI-OAHLLOKOSA-N 1 2 281.359 1.732 20 30 CDEDLO N#CC1(C(=O)N2CC[N@H+]3CCc4ccccc4[C@H]3C2)CC1 ZINC001143176496 922172213 /nfs/dbraw/zinc/17/22/13/922172213.db2.gz FWONZQXBDDSSRI-OAHLLOKOSA-N 1 2 281.359 1.732 20 30 CDEDLO C=CCC1(S(=O)(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001190793677 922204266 /nfs/dbraw/zinc/20/42/66/922204266.db2.gz HVCMNJHKOKNAIO-UHFFFAOYSA-N 1 2 272.414 1.451 20 30 CDEDLO C=CCC1(S(=O)(=O)N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001190793677 922204276 /nfs/dbraw/zinc/20/42/76/922204276.db2.gz HVCMNJHKOKNAIO-UHFFFAOYSA-N 1 2 272.414 1.451 20 30 CDEDLO CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)C1(C#N)CC1 ZINC001143188310 922372077 /nfs/dbraw/zinc/37/20/77/922372077.db2.gz GXFQDBRIYNXOOT-LBPRGKRZSA-N 1 2 279.384 1.153 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c(C)ncnc2C)CC1 ZINC001191315562 922505180 /nfs/dbraw/zinc/50/51/80/922505180.db2.gz VFIBIWYJNVCLKY-UHFFFAOYSA-N 1 2 260.341 1.037 20 30 CDEDLO C=C/C(C)=C/CC(=O)NC[C@@]1(C)C[N@H+](CC#CC)CCO1 ZINC001108137236 922725930 /nfs/dbraw/zinc/72/59/30/922725930.db2.gz YHBHNZPRHLSBQD-BXUGYJKXSA-N 1 2 290.407 1.739 20 30 CDEDLO C=C/C(C)=C/CC(=O)NC[C@@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001108137236 922725943 /nfs/dbraw/zinc/72/59/43/922725943.db2.gz YHBHNZPRHLSBQD-BXUGYJKXSA-N 1 2 290.407 1.739 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC(C)(C)C)[C@@H](O)C1 ZINC001099680900 922770758 /nfs/dbraw/zinc/77/07/58/922770758.db2.gz IHOLOJZXCSADGY-RYUDHWBXSA-N 1 2 288.819 1.727 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C)[C@@H](O)C1 ZINC001099680900 922770774 /nfs/dbraw/zinc/77/07/74/922770774.db2.gz IHOLOJZXCSADGY-RYUDHWBXSA-N 1 2 288.819 1.727 20 30 CDEDLO C#CCC1(C(=O)NCC[NH2+][C@H](C)c2ncc(C)o2)CCC1 ZINC001129125582 922928866 /nfs/dbraw/zinc/92/88/66/922928866.db2.gz XMGAPXALEKQJDQ-CYBMUJFWSA-N 1 2 289.379 1.943 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccco2)C1 ZINC001035264305 922943212 /nfs/dbraw/zinc/94/32/12/922943212.db2.gz BPOYJPSCMLOBOO-GFCCVEGCSA-N 1 2 264.325 1.286 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccco2)C1 ZINC001035264305 922943221 /nfs/dbraw/zinc/94/32/21/922943221.db2.gz BPOYJPSCMLOBOO-GFCCVEGCSA-N 1 2 264.325 1.286 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1CC[N@@H+](CC(=C)Cl)C[C@@H]1O ZINC001099807063 936811052 /nfs/dbraw/zinc/81/10/52/936811052.db2.gz KDLFXXURUTVVJK-OLZOCXBDSA-N 1 2 284.787 1.094 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1CC[N@H+](CC(=C)Cl)C[C@@H]1O ZINC001099807063 936811053 /nfs/dbraw/zinc/81/10/53/936811053.db2.gz KDLFXXURUTVVJK-OLZOCXBDSA-N 1 2 284.787 1.094 20 30 CDEDLO N#Cc1ccc(N2CCC[N@H+](Cc3cocn3)CC2)nc1 ZINC001141129979 936816574 /nfs/dbraw/zinc/81/65/74/936816574.db2.gz ZJZNZYBACFDTLT-UHFFFAOYSA-N 1 2 283.335 1.654 20 30 CDEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3cocn3)CC2)nc1 ZINC001141129979 936816577 /nfs/dbraw/zinc/81/65/77/936816577.db2.gz ZJZNZYBACFDTLT-UHFFFAOYSA-N 1 2 283.335 1.654 20 30 CDEDLO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC(=C)Cl)C[C@H]1O ZINC001099975403 936827869 /nfs/dbraw/zinc/82/78/69/936827869.db2.gz BEGARHVHTOFESD-QWHCGFSZSA-N 1 2 286.803 1.647 20 30 CDEDLO C=CCCCC(=O)N[C@H]1CC[N@H+](CC(=C)Cl)C[C@H]1O ZINC001099975403 936827871 /nfs/dbraw/zinc/82/78/71/936827871.db2.gz BEGARHVHTOFESD-QWHCGFSZSA-N 1 2 286.803 1.647 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001099985202 936829019 /nfs/dbraw/zinc/82/90/19/936829019.db2.gz ZBGNTUSUGGMFMR-LBPRGKRZSA-N 1 2 292.383 1.319 20 30 CDEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](C[C@H](F)CC)C[C@H]2O)CCC1 ZINC001195897064 924755333 /nfs/dbraw/zinc/75/53/33/924755333.db2.gz NDAKFMKDXIJHAX-MGPQQGTHSA-N 1 2 298.402 1.642 20 30 CDEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](F)CC)C[C@H]2O)CCC1 ZINC001195897064 924755340 /nfs/dbraw/zinc/75/53/40/924755340.db2.gz NDAKFMKDXIJHAX-MGPQQGTHSA-N 1 2 298.402 1.642 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)cs2)[C@H](OC)C1 ZINC001081635428 924772801 /nfs/dbraw/zinc/77/28/01/924772801.db2.gz BBAOIUPTHGGKKJ-CHWSQXEVSA-N 1 2 292.404 1.509 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)cs2)[C@H](OC)C1 ZINC001081635428 924772807 /nfs/dbraw/zinc/77/28/07/924772807.db2.gz BBAOIUPTHGGKKJ-CHWSQXEVSA-N 1 2 292.404 1.509 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccoc2C2CC2)[C@H](OC)C1 ZINC001082066249 924856414 /nfs/dbraw/zinc/85/64/14/924856414.db2.gz IBWQDMUJDSVTJF-ZIAGYGMSSA-N 1 2 288.347 1.219 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccoc2C2CC2)[C@H](OC)C1 ZINC001082066249 924856424 /nfs/dbraw/zinc/85/64/24/924856424.db2.gz IBWQDMUJDSVTJF-ZIAGYGMSSA-N 1 2 288.347 1.219 20 30 CDEDLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000712278553 925737895 /nfs/dbraw/zinc/73/78/95/925737895.db2.gz ZGIYMPSCGJVUAG-SNVBAGLBSA-N 1 2 299.783 1.194 20 30 CDEDLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000712278553 925737896 /nfs/dbraw/zinc/73/78/96/925737896.db2.gz ZGIYMPSCGJVUAG-SNVBAGLBSA-N 1 2 299.783 1.194 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cscn1 ZINC001085515913 926104428 /nfs/dbraw/zinc/10/44/28/926104428.db2.gz JEDZWNGOHRCPPV-NSHDSACASA-N 1 2 263.366 1.313 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cscn1 ZINC001085515913 926104432 /nfs/dbraw/zinc/10/44/32/926104432.db2.gz JEDZWNGOHRCPPV-NSHDSACASA-N 1 2 263.366 1.313 20 30 CDEDLO CC[N@H+](CCSC)Cn1cccc(C#N)c1=O ZINC000842644147 937067197 /nfs/dbraw/zinc/06/71/97/937067197.db2.gz JWSNTVRYBJRTLP-UHFFFAOYSA-N 1 2 251.355 1.362 20 30 CDEDLO CC[N@@H+](CCSC)Cn1cccc(C#N)c1=O ZINC000842644147 937067200 /nfs/dbraw/zinc/06/72/00/937067200.db2.gz JWSNTVRYBJRTLP-UHFFFAOYSA-N 1 2 251.355 1.362 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2cnccc2c1 ZINC001085725928 926324617 /nfs/dbraw/zinc/32/46/17/926324617.db2.gz JZASWDLUNWJTDL-OAHLLOKOSA-N 1 2 294.358 1.409 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc2cnccc2c1 ZINC001085725928 926324625 /nfs/dbraw/zinc/32/46/25/926324625.db2.gz JZASWDLUNWJTDL-OAHLLOKOSA-N 1 2 294.358 1.409 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2c[nH]nc21 ZINC001085757502 926365736 /nfs/dbraw/zinc/36/57/36/926365736.db2.gz ISWMBVAAYPCBAD-CYBMUJFWSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2c[nH]nc21 ZINC001085757502 926365746 /nfs/dbraw/zinc/36/57/46/926365746.db2.gz ISWMBVAAYPCBAD-CYBMUJFWSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2[C@@H](C)C(=O)OCC ZINC001273908776 926411321 /nfs/dbraw/zinc/41/13/21/926411321.db2.gz XOQNTEOIFRIHEG-XJKSGUPXSA-N 1 2 292.379 1.028 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2[C@@H](C)C(=O)OCC ZINC001273908776 926411328 /nfs/dbraw/zinc/41/13/28/926411328.db2.gz XOQNTEOIFRIHEG-XJKSGUPXSA-N 1 2 292.379 1.028 20 30 CDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2[C@H](C)C(=O)OCC ZINC001273908731 926411446 /nfs/dbraw/zinc/41/14/46/926411446.db2.gz WTGFHUKVTFTCBD-CJNGLKHVSA-N 1 2 294.395 1.581 20 30 CDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2[C@H](C)C(=O)OCC ZINC001273908731 926411452 /nfs/dbraw/zinc/41/14/52/926411452.db2.gz WTGFHUKVTFTCBD-CJNGLKHVSA-N 1 2 294.395 1.581 20 30 CDEDLO Cc1nc(N2CC[C@H](N(C)C(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001102708143 937081313 /nfs/dbraw/zinc/08/13/13/937081313.db2.gz LKCKMGRBAMJKPT-AWEZNQCLSA-N 1 2 286.379 1.482 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cncc(Cl)c1 ZINC001085873918 926469456 /nfs/dbraw/zinc/46/94/56/926469456.db2.gz MSTVUSHGNWIBMN-AWEZNQCLSA-N 1 2 291.782 1.905 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cncc(Cl)c1 ZINC001085873918 926469460 /nfs/dbraw/zinc/46/94/60/926469460.db2.gz MSTVUSHGNWIBMN-AWEZNQCLSA-N 1 2 291.782 1.905 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2[nH]c(C)nc2C)C1 ZINC001108218913 926476016 /nfs/dbraw/zinc/47/60/16/926476016.db2.gz AYQFMFVYXNQLNZ-OAHLLOKOSA-N 1 2 292.383 1.033 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2[nH]c(C)nc2C)C1 ZINC001108218913 926476019 /nfs/dbraw/zinc/47/60/19/926476019.db2.gz AYQFMFVYXNQLNZ-OAHLLOKOSA-N 1 2 292.383 1.033 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(OC)c1F ZINC001085888860 926477800 /nfs/dbraw/zinc/47/78/00/926477800.db2.gz JTDNMPIHLPWMRC-GFCCVEGCSA-N 1 2 290.338 1.614 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(OC)c1F ZINC001085888860 926477804 /nfs/dbraw/zinc/47/78/04/926477804.db2.gz JTDNMPIHLPWMRC-GFCCVEGCSA-N 1 2 290.338 1.614 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001437542994 926802368 /nfs/dbraw/zinc/80/23/68/926802368.db2.gz VGSYHUHNADXIDA-NSHDSACASA-N 1 2 298.818 1.399 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001437542994 926802380 /nfs/dbraw/zinc/80/23/80/926802380.db2.gz VGSYHUHNADXIDA-NSHDSACASA-N 1 2 298.818 1.399 20 30 CDEDLO CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1ccc(C#N)nc1 ZINC001103334416 937136943 /nfs/dbraw/zinc/13/69/43/937136943.db2.gz BMUUJHWDHOFHHO-NSHDSACASA-N 1 2 298.350 1.226 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccnc(C)c2)C1 ZINC001108293665 927346670 /nfs/dbraw/zinc/34/66/70/927346670.db2.gz JQUYSAVEQDOHDC-MRXNPFEDSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccnc(C)c2)C1 ZINC001108293665 927346687 /nfs/dbraw/zinc/34/66/87/927346687.db2.gz JQUYSAVEQDOHDC-MRXNPFEDSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CCCOC2)C1 ZINC001108402817 927510267 /nfs/dbraw/zinc/51/02/67/927510267.db2.gz NOOYMCFIMMZQRQ-GDBMZVCRSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CCCOC2)C1 ZINC001108402817 927510273 /nfs/dbraw/zinc/51/02/73/927510273.db2.gz NOOYMCFIMMZQRQ-GDBMZVCRSA-N 1 2 296.411 1.196 20 30 CDEDLO C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)CNc1ncccc1C#N ZINC001104052757 937187058 /nfs/dbraw/zinc/18/70/58/937187058.db2.gz IYNINWYXUSEJQH-LLVKDONJSA-N 1 2 298.350 1.083 20 30 CDEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CC(C)(C)C)CC2=O)C1 ZINC001108506301 928176013 /nfs/dbraw/zinc/17/60/13/928176013.db2.gz OTVUVAXYFPDXRP-GFCCVEGCSA-N 1 2 293.411 1.010 20 30 CDEDLO C[N@@H+]1CCOC[C@H]1CNc1ccc(CC#N)c([N+](=O)[O-])c1 ZINC001169658456 928301410 /nfs/dbraw/zinc/30/14/10/928301410.db2.gz WWKVVWNQALUDQZ-CYBMUJFWSA-N 1 2 290.323 1.403 20 30 CDEDLO C[N@H+]1CCOC[C@H]1CNc1ccc(CC#N)c([N+](=O)[O-])c1 ZINC001169658456 928301423 /nfs/dbraw/zinc/30/14/23/928301423.db2.gz WWKVVWNQALUDQZ-CYBMUJFWSA-N 1 2 290.323 1.403 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)[C@H](C)COC)CC1 ZINC001112944927 929593206 /nfs/dbraw/zinc/59/32/06/929593206.db2.gz PYDLSGZUMOTXOR-CHWSQXEVSA-N 1 2 254.374 1.235 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H](OCC)C(C)C)CC1 ZINC001112963904 929606563 /nfs/dbraw/zinc/60/65/63/929606563.db2.gz DNKISHYTHUUEPF-CQSZACIVSA-N 1 2 268.401 1.768 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2nccc3cc[nH]c32)CC1 ZINC001152245722 937348116 /nfs/dbraw/zinc/34/81/16/937348116.db2.gz SAJPFBBPSKTVMJ-UHFFFAOYSA-N 1 2 270.336 1.507 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C/C=C/C)C1 ZINC000884447080 930568044 /nfs/dbraw/zinc/56/80/44/930568044.db2.gz KPUVQNSKKGIPOR-JRFBKZHLSA-N 1 2 294.395 1.638 20 30 CDEDLO C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136036869 930615100 /nfs/dbraw/zinc/61/51/00/930615100.db2.gz ZKEFXBUFJSSRIM-NEPJUHHUSA-N 1 2 278.400 1.710 20 30 CDEDLO C=CCC1(C(=O)NCC[NH2+]Cc2nncs2)CCCC1 ZINC001153813808 937473002 /nfs/dbraw/zinc/47/30/02/937473002.db2.gz CYGAISPTTRTCKG-UHFFFAOYSA-N 1 2 294.424 1.880 20 30 CDEDLO Cc1cc(C(=O)N2CC3(CC[N@H+]3C)C2)ccc1C#N ZINC001275066405 931650871 /nfs/dbraw/zinc/65/08/71/931650871.db2.gz ZOZZISIXRVAACS-UHFFFAOYSA-N 1 2 255.321 1.397 20 30 CDEDLO Cc1cc(C(=O)N2CC3(CC[N@@H+]3C)C2)ccc1C#N ZINC001275066405 931650872 /nfs/dbraw/zinc/65/08/72/931650872.db2.gz ZOZZISIXRVAACS-UHFFFAOYSA-N 1 2 255.321 1.397 20 30 CDEDLO C#Cc1ccc(C[NH+]2CC3(CCN3CC(=O)N(C)C)C2)cc1 ZINC001275131390 931673847 /nfs/dbraw/zinc/67/38/47/931673847.db2.gz CMDSQNJVRQQSKD-UHFFFAOYSA-N 1 2 297.402 1.016 20 30 CDEDLO C=CC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)Br ZINC001144566260 931905327 /nfs/dbraw/zinc/90/53/27/931905327.db2.gz NHOPGMXNPAQRBM-JTQLQIEISA-N 1 2 289.217 1.927 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)Br ZINC001144566260 931905330 /nfs/dbraw/zinc/90/53/30/931905330.db2.gz NHOPGMXNPAQRBM-JTQLQIEISA-N 1 2 289.217 1.927 20 30 CDEDLO C#Cc1cnc(NC(=O)c2cccc3[nH+]ccn32)c(C#C)n1 ZINC001154520486 937552961 /nfs/dbraw/zinc/55/29/61/937552961.db2.gz SBRMBGFZFVDPKZ-UHFFFAOYSA-N 1 2 287.282 1.339 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3cc(F)c(C#N)c(F)c3)C[C@@H]21 ZINC001276118395 932531141 /nfs/dbraw/zinc/53/11/41/932531141.db2.gz ZZXYEXBTIPLVSZ-GJZGRUSLSA-N 1 2 293.317 1.351 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3cc(F)c(C#N)c(F)c3)C[C@@H]21 ZINC001276118395 932531146 /nfs/dbraw/zinc/53/11/46/932531146.db2.gz ZZXYEXBTIPLVSZ-GJZGRUSLSA-N 1 2 293.317 1.351 20 30 CDEDLO Cn1cc(C[NH+]2CC3(CN(Cc4cnoc4)C3)C2)cc1C#N ZINC001276253841 932689012 /nfs/dbraw/zinc/68/90/12/932689012.db2.gz MMDFARITFMKHSP-UHFFFAOYSA-N 1 2 297.362 1.203 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccnc3ccc(O)cc32)CC1 ZINC001155133004 937640418 /nfs/dbraw/zinc/64/04/18/937640418.db2.gz FCSSODWIQWRSBX-UHFFFAOYSA-N 1 2 297.358 1.884 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2nc(-c3ccccc3)c[nH]2)CCCN1O ZINC001119512569 937726888 /nfs/dbraw/zinc/72/68/88/937726888.db2.gz RSEFCIIJTZIKAV-GFCCVEGCSA-N 1 2 286.335 1.547 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1nncc2ccccc21 ZINC001038503378 935747187 /nfs/dbraw/zinc/74/71/87/935747187.db2.gz HBEFSQYQEQFYEV-ZDUSSCGKSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1nncc2ccccc21 ZINC001038503378 935747188 /nfs/dbraw/zinc/74/71/88/935747188.db2.gz HBEFSQYQEQFYEV-ZDUSSCGKSA-N 1 2 280.331 1.067 20 30 CDEDLO Cc1nc(N[C@H](CNC(=O)C#CC(C)C)C2CC2)cc[nH+]1 ZINC001096648989 936202206 /nfs/dbraw/zinc/20/22/06/936202206.db2.gz SVHOXUSLVXSGHA-CQSZACIVSA-N 1 2 286.379 1.751 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCOC1)C2 ZINC001096860426 936229425 /nfs/dbraw/zinc/22/94/25/936229425.db2.gz YFEVROBWKXKSES-LPWJVIDDSA-N 1 2 284.787 1.497 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCOC1)C2 ZINC001096860426 936229429 /nfs/dbraw/zinc/22/94/29/936229429.db2.gz YFEVROBWKXKSES-LPWJVIDDSA-N 1 2 284.787 1.497 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C3CC=CC3)n2C)CC1 ZINC001121478163 937873145 /nfs/dbraw/zinc/87/31/45/937873145.db2.gz LRSUFEUJFWAATP-UHFFFAOYSA-N 1 2 271.368 1.004 20 30 CDEDLO C#Cc1cc(NC(=O)c2ccc3[nH+]c(N)[nH]c3c2)ccn1 ZINC001156964735 938439685 /nfs/dbraw/zinc/43/96/85/938439685.db2.gz SKBJPRKDOWIDLQ-UHFFFAOYSA-N 1 2 277.287 1.196 20 30 CDEDLO C=CC[N@H+]1CC=C(CCNC(=O)c2[nH]nc(C)c2C)CC1 ZINC001159643427 938742649 /nfs/dbraw/zinc/74/26/49/938742649.db2.gz ZQZYOZKNZJTWIP-UHFFFAOYSA-N 1 2 288.395 1.965 20 30 CDEDLO C=CC[N@@H+]1CC=C(CCNC(=O)c2[nH]nc(C)c2C)CC1 ZINC001159643427 938742651 /nfs/dbraw/zinc/74/26/51/938742651.db2.gz ZQZYOZKNZJTWIP-UHFFFAOYSA-N 1 2 288.395 1.965 20 30 CDEDLO C[C@@H]1[C@H](CO)CCN1c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001164056650 939400975 /nfs/dbraw/zinc/40/09/75/939400975.db2.gz WDPDUSNOVLICAE-ZJUUUORDSA-N 1 2 256.309 1.642 20 30 CDEDLO CC#CCCCC(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001164262343 939442693 /nfs/dbraw/zinc/44/26/93/939442693.db2.gz BCYPOJFTYJALFO-UHFFFAOYSA-N 1 2 292.383 1.422 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](Cc2cn(-c3cnccn3)cn2)C1 ZINC001238809627 945254264 /nfs/dbraw/zinc/25/42/64/945254264.db2.gz AHEDPPNGWBMVQX-ZDUSSCGKSA-N 1 2 282.351 1.788 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cn(-c3cnccn3)cn2)C1 ZINC001238809627 945254267 /nfs/dbraw/zinc/25/42/67/945254267.db2.gz AHEDPPNGWBMVQX-ZDUSSCGKSA-N 1 2 282.351 1.788 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1c1nccc2ccc(F)cc21 ZINC001164652574 939502562 /nfs/dbraw/zinc/50/25/62/939502562.db2.gz RZTXEKVXCSVZBW-GFCCVEGCSA-N 1 2 256.284 1.676 20 30 CDEDLO COc1ccc2nc(N3CC[NH2+]C[C@H]3C#N)c(C)nc2c1 ZINC001164661811 939502879 /nfs/dbraw/zinc/50/28/79/939502879.db2.gz PEFOZSMNRSWJAR-LLVKDONJSA-N 1 2 283.335 1.249 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ncccn2)C[C@H]1C ZINC001206490328 940048853 /nfs/dbraw/zinc/04/88/53/940048853.db2.gz LJIDMRPNFQYCTO-CHWSQXEVSA-N 1 2 274.368 1.379 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ncccn2)C[C@H]1C ZINC001206490328 940048857 /nfs/dbraw/zinc/04/88/57/940048857.db2.gz LJIDMRPNFQYCTO-CHWSQXEVSA-N 1 2 274.368 1.379 20 30 CDEDLO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001207030444 940131999 /nfs/dbraw/zinc/13/19/99/940131999.db2.gz XUMMKTDINZSYRS-OPRDCNLKSA-N 1 2 282.281 1.899 20 30 CDEDLO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001207030444 940132004 /nfs/dbraw/zinc/13/20/04/940132004.db2.gz XUMMKTDINZSYRS-OPRDCNLKSA-N 1 2 282.281 1.899 20 30 CDEDLO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001207030444 940132006 /nfs/dbraw/zinc/13/20/06/940132006.db2.gz XUMMKTDINZSYRS-OPRDCNLKSA-N 1 2 282.281 1.899 20 30 CDEDLO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001207030444 940132012 /nfs/dbraw/zinc/13/20/12/940132012.db2.gz XUMMKTDINZSYRS-OPRDCNLKSA-N 1 2 282.281 1.899 20 30 CDEDLO Cc1cc(C[N@@H+](C)Cc2cc(C#N)n(C)c2)n(C)n1 ZINC001207106415 940149735 /nfs/dbraw/zinc/14/97/35/940149735.db2.gz KTANYIJMEOLSPW-UHFFFAOYSA-N 1 2 257.341 1.571 20 30 CDEDLO Cc1cc(C[N@H+](C)Cc2cc(C#N)n(C)c2)n(C)n1 ZINC001207106415 940149736 /nfs/dbraw/zinc/14/97/36/940149736.db2.gz KTANYIJMEOLSPW-UHFFFAOYSA-N 1 2 257.341 1.571 20 30 CDEDLO C=CCN(CC[N@@H+]1CCN(C(C)=O)[C@H](C)C1)C(=O)OCC ZINC001209020293 940424897 /nfs/dbraw/zinc/42/48/97/940424897.db2.gz FZEVMTNLAHYUDM-CYBMUJFWSA-N 1 2 297.399 1.184 20 30 CDEDLO C=CCN(CC[N@H+]1CCN(C(C)=O)[C@H](C)C1)C(=O)OCC ZINC001209020293 940424898 /nfs/dbraw/zinc/42/48/98/940424898.db2.gz FZEVMTNLAHYUDM-CYBMUJFWSA-N 1 2 297.399 1.184 20 30 CDEDLO C=CCC[C@@H](C)[NH+]1CC2(C1)[C@H](CF)CCS2(=O)=O ZINC001258732530 945396142 /nfs/dbraw/zinc/39/61/42/945396142.db2.gz MXHXEWXWULHKQQ-NEPJUHHUSA-N 1 2 275.389 1.800 20 30 CDEDLO C#Cc1cc(Nc2cncc(C(=O)OC)c2)cc[nH+]1 ZINC001211449593 940755253 /nfs/dbraw/zinc/75/52/53/940755253.db2.gz SJDVOZXRELIYCK-UHFFFAOYSA-N 1 2 253.261 1.410 20 30 CDEDLO C=CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC001214304311 940814544 /nfs/dbraw/zinc/81/45/44/940814544.db2.gz NBTMDOLNGULILY-VXGBXAGGSA-N 1 2 292.383 1.535 20 30 CDEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001214741595 940838198 /nfs/dbraw/zinc/83/81/98/940838198.db2.gz SHESAAQKIDGOBT-DGCLKSJQSA-N 1 2 292.383 1.671 20 30 CDEDLO COC(=O)[C@@H]([NH3+])COC(C#CC(C)(C)C)C#CC(C)(C)C ZINC001217897141 941027292 /nfs/dbraw/zinc/02/72/92/941027292.db2.gz VZLVHWSSEHQAJV-AWEZNQCLSA-N 1 2 293.407 1.971 20 30 CDEDLO C=C1CC[NH2+]C[C@H]1Oc1[nH]c(=O)nc2cc(OC)ccc21 ZINC001218208309 941044121 /nfs/dbraw/zinc/04/41/21/941044121.db2.gz ZQHDASKEOVCEHL-CYBMUJFWSA-N 1 2 287.319 1.641 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)CC(C)C)[C@H]2C1 ZINC001218924931 941288941 /nfs/dbraw/zinc/28/89/41/941288941.db2.gz LAMBFEYFMVPUPI-OWCLPIDISA-N 1 2 292.423 1.604 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)CC(C)C)[C@H]2C1 ZINC001218924931 941288945 /nfs/dbraw/zinc/28/89/45/941288945.db2.gz LAMBFEYFMVPUPI-OWCLPIDISA-N 1 2 292.423 1.604 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CC)CCCCC2)[C@@H](O)C1 ZINC001221046405 941494936 /nfs/dbraw/zinc/49/49/36/941494936.db2.gz LUXOXFOAJYHQJF-KGLIPLIRSA-N 1 2 278.396 1.141 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CC)CCCCC2)[C@@H](O)C1 ZINC001221046405 941494938 /nfs/dbraw/zinc/49/49/38/941494938.db2.gz LUXOXFOAJYHQJF-KGLIPLIRSA-N 1 2 278.396 1.141 20 30 CDEDLO C=CCCC(=O)NCC1CC[NH+](Cc2nnc(C)[nH]2)CC1 ZINC001222609924 941620095 /nfs/dbraw/zinc/62/00/95/941620095.db2.gz UERJNCCVLCCTGE-UHFFFAOYSA-N 1 2 291.399 1.408 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2ccc(F)c(C#N)c2)C1 ZINC001225820937 941917151 /nfs/dbraw/zinc/91/71/51/941917151.db2.gz UFFPTSFUFZXLGY-LBPRGKRZSA-N 1 2 250.273 1.407 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2ccc(F)c(C#N)c2)C1 ZINC001225820937 941917152 /nfs/dbraw/zinc/91/71/52/941917152.db2.gz UFFPTSFUFZXLGY-LBPRGKRZSA-N 1 2 250.273 1.407 20 30 CDEDLO Cc1cc(=O)[nH]c(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C#N ZINC001226221999 941969109 /nfs/dbraw/zinc/96/91/09/941969109.db2.gz RKOIPYCQPJCMFR-ZSBIGDGJSA-N 1 2 273.336 1.971 20 30 CDEDLO Cc1cc(=O)[nH]c(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C#N ZINC001226221999 941969111 /nfs/dbraw/zinc/96/91/11/941969111.db2.gz RKOIPYCQPJCMFR-ZSBIGDGJSA-N 1 2 273.336 1.971 20 30 CDEDLO C=CCOCC(=O)NC1CC[NH+](Cc2nccs2)CC1 ZINC001226588909 942031328 /nfs/dbraw/zinc/03/13/28/942031328.db2.gz DYVFMGQEYLTROK-UHFFFAOYSA-N 1 2 295.408 1.426 20 30 CDEDLO Cc1ccc(O)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001227538366 942186076 /nfs/dbraw/zinc/18/60/76/942186076.db2.gz ICUFQXAJSMPHDS-RBRDRRMGSA-N 1 2 261.321 1.692 20 30 CDEDLO Cc1ccc(O)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001227538366 942186078 /nfs/dbraw/zinc/18/60/78/942186078.db2.gz ICUFQXAJSMPHDS-RBRDRRMGSA-N 1 2 261.321 1.692 20 30 CDEDLO CC(=O)/C=C/c1ccc(OC[C@H]2C[N@H+](C)CCO2)cc1 ZINC001228494840 942326959 /nfs/dbraw/zinc/32/69/59/942326959.db2.gz USTZNEMCVMSMAX-QDLOVBKTSA-N 1 2 275.348 1.998 20 30 CDEDLO CC(=O)/C=C/c1ccc(OC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001228494840 942326964 /nfs/dbraw/zinc/32/69/64/942326964.db2.gz USTZNEMCVMSMAX-QDLOVBKTSA-N 1 2 275.348 1.998 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Oc1cc(F)cc(C#N)c1 ZINC001229035563 942410844 /nfs/dbraw/zinc/41/08/44/942410844.db2.gz WZNCYAUTULOEMY-LLVKDONJSA-N 1 2 264.300 1.797 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccco1 ZINC001230587325 942649238 /nfs/dbraw/zinc/64/92/38/942649238.db2.gz DDQACSPNVMFACX-ZDUSSCGKSA-N 1 2 276.336 1.076 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccco1 ZINC001230587325 942649244 /nfs/dbraw/zinc/64/92/44/942649244.db2.gz DDQACSPNVMFACX-ZDUSSCGKSA-N 1 2 276.336 1.076 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NCCC ZINC001231122869 942792793 /nfs/dbraw/zinc/79/27/93/942792793.db2.gz PQDLHJIRECZDAJ-KBPBESRZSA-N 1 2 295.427 1.400 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NCCC ZINC001231122869 942792795 /nfs/dbraw/zinc/79/27/95/942792795.db2.gz PQDLHJIRECZDAJ-KBPBESRZSA-N 1 2 295.427 1.400 20 30 CDEDLO Cc1nocc1C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231249073 942833952 /nfs/dbraw/zinc/83/39/52/942833952.db2.gz YLABUPJKYMIRKG-MFKMUULPSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1nocc1C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231249073 942833960 /nfs/dbraw/zinc/83/39/60/942833960.db2.gz YLABUPJKYMIRKG-MFKMUULPSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@H]2CN(C)C(=O)[C@H](C)C#N)sn1 ZINC001231292767 942845643 /nfs/dbraw/zinc/84/56/43/942845643.db2.gz FWKQFJAUPWLVIM-PWSUYJOCSA-N 1 2 292.408 1.644 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@H]2CN(C)C(=O)[C@H](C)C#N)sn1 ZINC001231292767 942845646 /nfs/dbraw/zinc/84/56/46/942845646.db2.gz FWKQFJAUPWLVIM-PWSUYJOCSA-N 1 2 292.408 1.644 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)CCC ZINC001231313436 942851753 /nfs/dbraw/zinc/85/17/53/942851753.db2.gz YLNOIRKSCWODBP-UONOGXRCSA-N 1 2 295.427 1.258 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)CCC ZINC001231313436 942851758 /nfs/dbraw/zinc/85/17/58/942851758.db2.gz YLNOIRKSCWODBP-UONOGXRCSA-N 1 2 295.427 1.258 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(F)cc2OC)CC1 ZINC001231605241 942942958 /nfs/dbraw/zinc/94/29/58/942942958.db2.gz JQNMWJJCITUHNQ-UHFFFAOYSA-N 1 2 262.328 1.585 20 30 CDEDLO CNC(=O)C1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232673725 943354508 /nfs/dbraw/zinc/35/45/08/943354508.db2.gz LWKWWAUXLOVYNB-UHFFFAOYSA-N 1 2 273.336 1.222 20 30 CDEDLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232674994 943356575 /nfs/dbraw/zinc/35/65/75/943356575.db2.gz JWFYMKFDJIDMAE-OAHLLOKOSA-N 1 2 274.320 1.791 20 30 CDEDLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232674994 943356578 /nfs/dbraw/zinc/35/65/78/943356578.db2.gz JWFYMKFDJIDMAE-OAHLLOKOSA-N 1 2 274.320 1.791 20 30 CDEDLO CC(=O)N1CCC2(C[NH+](Cc3cccc(C#N)n3)C2)C1 ZINC001232924964 943436022 /nfs/dbraw/zinc/43/60/22/943436022.db2.gz HOZQPHSJLFOOHU-UHFFFAOYSA-N 1 2 270.336 1.007 20 30 CDEDLO Cc1ccc(CN2CC[C@@H]([NH+]3CCOCC3)C2)c(C#N)c1 ZINC001232966546 943448007 /nfs/dbraw/zinc/44/80/07/943448007.db2.gz PTGLYKGRQMNLRW-QGZVFWFLSA-N 1 2 285.391 1.773 20 30 CDEDLO CN(C)c1ccc(C[NH+]2CC3(CC(O)C3)C2)c(F)c1C#N ZINC001233097311 943489703 /nfs/dbraw/zinc/48/97/03/943489703.db2.gz SJSPHVKJLRPYNK-UHFFFAOYSA-N 1 2 289.354 1.720 20 30 CDEDLO COC(=O)C1(C#N)CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC001233364472 943555662 /nfs/dbraw/zinc/55/56/62/943555662.db2.gz MFCIGASJXUCBGU-UHFFFAOYSA-N 1 2 298.346 1.613 20 30 CDEDLO C=CCSCCNC(=O)CCc1[nH+]ccn1C ZINC001263763277 943964716 /nfs/dbraw/zinc/96/47/16/943964716.db2.gz AINLCSRKZZUYRL-UHFFFAOYSA-N 1 2 253.371 1.388 20 30 CDEDLO C=CCN(C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C)C(C)C ZINC001263778255 943971826 /nfs/dbraw/zinc/97/18/26/943971826.db2.gz HPXVZVULWLAMLK-UONOGXRCSA-N 1 2 282.432 1.227 20 30 CDEDLO C=CCN(C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C)C(C)C ZINC001263778255 943971833 /nfs/dbraw/zinc/97/18/33/943971833.db2.gz HPXVZVULWLAMLK-UONOGXRCSA-N 1 2 282.432 1.227 20 30 CDEDLO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC001237464690 944796280 /nfs/dbraw/zinc/79/62/80/944796280.db2.gz VGAQCLSPDWCVQU-ZDUSSCGKSA-N 1 2 258.325 1.054 20 30 CDEDLO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC001237464690 944796295 /nfs/dbraw/zinc/79/62/95/944796295.db2.gz VGAQCLSPDWCVQU-ZDUSSCGKSA-N 1 2 258.325 1.054 20 30 CDEDLO COc1ccccc1C[C@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001258887494 945437602 /nfs/dbraw/zinc/43/76/02/945437602.db2.gz GDSWFTMLGDFKGN-GXTWGEPZSA-N 1 2 259.353 1.424 20 30 CDEDLO Cc1nc(C#N)c(C#N)nc1-c1ccn2cc[nH+]c2c1 ZINC001240504050 945895612 /nfs/dbraw/zinc/89/56/12/945895612.db2.gz WDZBXKPYIKAWDH-UHFFFAOYSA-N 1 2 260.260 1.843 20 30 CDEDLO Cc1[nH]c(CNC(=O)c2ccc(C#N)c(C)n2)[nH+]c1C ZINC001262115750 946444738 /nfs/dbraw/zinc/44/47/38/946444738.db2.gz LCCNEHIWQWPQLM-UHFFFAOYSA-N 1 2 269.308 1.532 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001262367966 946616396 /nfs/dbraw/zinc/61/63/96/946616396.db2.gz KWGOBGYYRDNUTH-CHWSQXEVSA-N 1 2 254.374 1.426 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001262367966 946616402 /nfs/dbraw/zinc/61/64/02/946616402.db2.gz KWGOBGYYRDNUTH-CHWSQXEVSA-N 1 2 254.374 1.426 20 30 CDEDLO C[C@@H]1CC(=O)C=C(c2ncnc3c2C[N@H+](C)CC3)C1 ZINC001242741214 946864306 /nfs/dbraw/zinc/86/43/06/946864306.db2.gz XAXILUKWDRBUOG-JTQLQIEISA-N 1 2 257.337 1.847 20 30 CDEDLO C[C@@H]1CC(=O)C=C(c2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001242741214 946864315 /nfs/dbraw/zinc/86/43/15/946864315.db2.gz XAXILUKWDRBUOG-JTQLQIEISA-N 1 2 257.337 1.847 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254922417 947653267 /nfs/dbraw/zinc/65/32/67/947653267.db2.gz QDBXTXAULDXTIC-LNLATYFQSA-N 1 2 271.382 1.195 20 30 CDEDLO N#C[C@H]1CN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC1=O ZINC001255117262 947744295 /nfs/dbraw/zinc/74/42/95/947744295.db2.gz PJPBBRAELYWGGR-JKSUJKDBSA-N 1 2 283.375 1.675 20 30 CDEDLO N#C[C@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1=O ZINC001255117262 947744297 /nfs/dbraw/zinc/74/42/97/947744297.db2.gz PJPBBRAELYWGGR-JKSUJKDBSA-N 1 2 283.375 1.675 20 30 CDEDLO CC[C@H](C(=O)NCC1(C#N)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001362584658 971428568 /nfs/dbraw/zinc/42/85/68/971428568.db2.gz RIHKPINRBUIXSY-CHWSQXEVSA-N 1 2 279.384 1.296 20 30 CDEDLO CC[C@H](C(=O)NCC1(C#N)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001362584658 971428573 /nfs/dbraw/zinc/42/85/73/971428573.db2.gz RIHKPINRBUIXSY-CHWSQXEVSA-N 1 2 279.384 1.296 20 30 CDEDLO CC[C@H](CC#N)N1CC([N@@H+]2CCOC(C)(C)C2)C1 ZINC001255174238 947766390 /nfs/dbraw/zinc/76/63/90/947766390.db2.gz USBOTFMPYJWPEP-GFCCVEGCSA-N 1 2 251.374 1.474 20 30 CDEDLO CC[C@H](CC#N)N1CC([N@H+]2CCOC(C)(C)C2)C1 ZINC001255174238 947766395 /nfs/dbraw/zinc/76/63/95/947766395.db2.gz USBOTFMPYJWPEP-GFCCVEGCSA-N 1 2 251.374 1.474 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@H](NC(=O)NC(C)C)C1 ZINC001255177318 947766572 /nfs/dbraw/zinc/76/65/72/947766572.db2.gz PWTSDTSOZAQORX-STQMWFEESA-N 1 2 266.389 1.851 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@H](NC(=O)NC(C)C)C1 ZINC001255177318 947766576 /nfs/dbraw/zinc/76/65/76/947766576.db2.gz PWTSDTSOZAQORX-STQMWFEESA-N 1 2 266.389 1.851 20 30 CDEDLO CC[C@H](CC#N)N1CC([NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001255178000 947768139 /nfs/dbraw/zinc/76/81/39/947768139.db2.gz ZYDJJPBMEYKYKP-RWMBFGLXSA-N 1 2 251.374 1.472 20 30 CDEDLO CC(C)[C@](C)(C#N)[NH2+]C1CCN(c2ncccn2)CC1 ZINC001256047091 948182163 /nfs/dbraw/zinc/18/21/63/948182163.db2.gz YYXCWGSJZFXATC-HNNXBMFYSA-N 1 2 273.384 1.973 20 30 CDEDLO N#Cc1ccc(-c2noc(Cc3c[nH]c[nH+]3)n2)nc1 ZINC001247137333 948597336 /nfs/dbraw/zinc/59/73/36/948597336.db2.gz GIZBJICKNADNRV-UHFFFAOYSA-N 1 2 252.237 1.317 20 30 CDEDLO C=CC[NH+]1CCN(C(=S)NCCCSC)CC1 ZINC001247831455 948809821 /nfs/dbraw/zinc/80/98/21/948809821.db2.gz LQACYPSMIXSFOI-UHFFFAOYSA-N 1 2 273.471 1.418 20 30 CDEDLO N#CC[C@H](N)c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001248226083 948978761 /nfs/dbraw/zinc/97/87/61/948978761.db2.gz ZDTMRDWDUPBGNG-NSHDSACASA-N 1 2 280.291 1.836 20 30 CDEDLO N#Cc1ccn2ncc(C[NH+]3CC4(CC(O)C4)C3)c2c1 ZINC001249082389 949371305 /nfs/dbraw/zinc/37/13/05/949371305.db2.gz QMTPLPLBMPILPI-UHFFFAOYSA-N 1 2 268.320 1.163 20 30 CDEDLO C=CCOC[C@H](O)C[N@@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001252460032 951303396 /nfs/dbraw/zinc/30/33/96/951303396.db2.gz ACEDYPGVWNUJRK-ZJUUUORDSA-N 1 2 253.264 1.229 20 30 CDEDLO C=CCOC[C@H](O)C[N@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001252460032 951303405 /nfs/dbraw/zinc/30/34/05/951303405.db2.gz ACEDYPGVWNUJRK-ZJUUUORDSA-N 1 2 253.264 1.229 20 30 CDEDLO C=C[C@](C)(O)C[N@H+]1CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC001252557050 951448998 /nfs/dbraw/zinc/44/89/98/951448998.db2.gz HDUAUCMSJOSTBU-RISCZKNCSA-N 1 2 270.373 1.822 20 30 CDEDLO C=C[C@](C)(O)C[N@@H+]1CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC001252557050 951449004 /nfs/dbraw/zinc/44/90/04/951449004.db2.gz HDUAUCMSJOSTBU-RISCZKNCSA-N 1 2 270.373 1.822 20 30 CDEDLO C=C[C@](C)(O)C[NH2+]C1(C(=O)OCC)CCCCC1 ZINC001252582342 951476558 /nfs/dbraw/zinc/47/65/58/951476558.db2.gz PRHKCPVMFXLLQL-ZDUSSCGKSA-N 1 2 255.358 1.779 20 30 CDEDLO C=C[C@@H](O)CNc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001253568277 951956891 /nfs/dbraw/zinc/95/68/91/951956891.db2.gz DBHLFVTUBZVBGT-MBNYWOFBSA-N 1 2 277.368 1.654 20 30 CDEDLO C=C[C@H](O)C[N@@H+](CC(=O)OCC)Cc1ccccc1 ZINC001253567333 951958160 /nfs/dbraw/zinc/95/81/60/951958160.db2.gz MVVMFYJCBPGLGJ-AWEZNQCLSA-N 1 2 263.337 1.599 20 30 CDEDLO C=C[C@H](O)C[N@H+](CC(=O)OCC)Cc1ccccc1 ZINC001253567333 951958166 /nfs/dbraw/zinc/95/81/66/951958166.db2.gz MVVMFYJCBPGLGJ-AWEZNQCLSA-N 1 2 263.337 1.599 20 30 CDEDLO COC(=O)c1ccc(C[NH2+]Cc2ccc(C#N)cn2)nc1 ZINC001363603148 953523432 /nfs/dbraw/zinc/52/34/32/953523432.db2.gz SFMANIZCJKCIBA-UHFFFAOYSA-N 1 2 282.303 1.425 20 30 CDEDLO CC(C)[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001364654859 954965203 /nfs/dbraw/zinc/96/52/03/954965203.db2.gz UIOWGXZCVDGWNB-CABCVRRESA-N 1 2 287.363 1.048 20 30 CDEDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001364654859 954965213 /nfs/dbraw/zinc/96/52/13/954965213.db2.gz UIOWGXZCVDGWNB-CABCVRRESA-N 1 2 287.363 1.048 20 30 CDEDLO C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccn(C)n1 ZINC001421861107 955606708 /nfs/dbraw/zinc/60/67/08/955606708.db2.gz GWTQOLJKABTXKE-LBPRGKRZSA-N 1 2 297.362 1.259 20 30 CDEDLO C=CCCCCC[N@@H+](C)Cc1nnc2n1CCN(C)C2=O ZINC001308067320 956465885 /nfs/dbraw/zinc/46/58/85/956465885.db2.gz BVXPNYFQMFKJQR-UHFFFAOYSA-N 1 2 291.399 1.542 20 30 CDEDLO C=CCCCCC[N@H+](C)Cc1nnc2n1CCN(C)C2=O ZINC001308067320 956465892 /nfs/dbraw/zinc/46/58/92/956465892.db2.gz BVXPNYFQMFKJQR-UHFFFAOYSA-N 1 2 291.399 1.542 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001366578977 956990395 /nfs/dbraw/zinc/99/03/95/956990395.db2.gz KORHWHNQQFSZKV-NSHDSACASA-N 1 2 296.802 1.315 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001366578977 956990405 /nfs/dbraw/zinc/99/04/05/956990405.db2.gz KORHWHNQQFSZKV-NSHDSACASA-N 1 2 296.802 1.315 20 30 CDEDLO C=C1CCC(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC001332381252 957541516 /nfs/dbraw/zinc/54/15/16/957541516.db2.gz YMOODHQPINBEIX-UHFFFAOYSA-N 1 2 280.412 1.960 20 30 CDEDLO C=C1CCC(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC001332381252 957541523 /nfs/dbraw/zinc/54/15/23/957541523.db2.gz YMOODHQPINBEIX-UHFFFAOYSA-N 1 2 280.412 1.960 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1nc(-c2ccccc2)no1 ZINC001319552876 958627848 /nfs/dbraw/zinc/62/78/48/958627848.db2.gz PAMOEKRCOAGKNU-UHFFFAOYSA-N 1 2 271.320 1.818 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1nc(-c2ccccc2)no1 ZINC001319552876 958627860 /nfs/dbraw/zinc/62/78/60/958627860.db2.gz PAMOEKRCOAGKNU-UHFFFAOYSA-N 1 2 271.320 1.818 20 30 CDEDLO C=CC[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C(=O)OCC ZINC001320424428 959162133 /nfs/dbraw/zinc/16/21/33/959162133.db2.gz KFWQFZXKBCOOEA-WCQYABFASA-N 1 2 291.351 1.070 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001321173727 959631041 /nfs/dbraw/zinc/63/10/41/959631041.db2.gz WRHKKPKORPVFEL-UPJWGTAASA-N 1 2 263.341 1.542 20 30 CDEDLO N#C[C@@H]1CCC[C@@H]([NH2+][C@H](C(N)=O)c2ccccn2)C1 ZINC001560846723 961022267 /nfs/dbraw/zinc/02/22/67/961022267.db2.gz MJLXOQQJAVONGA-WZRBSPASSA-N 1 2 258.325 1.280 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3[C@@H]4CCCC[C@@H]43)n2C)CC1 ZINC001339389277 962340389 /nfs/dbraw/zinc/34/03/89/962340389.db2.gz AYJDRVHBHNBISB-FICVDOATSA-N 1 2 299.422 1.474 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H]3C)n2CC=C)CC1 ZINC001340313653 962883733 /nfs/dbraw/zinc/88/37/33/962883733.db2.gz UJHVSFLIWFHCFO-KBPBESRZSA-N 1 2 285.395 1.343 20 30 CDEDLO C[C@@H]([NH2+]CCN(C)C(=O)[C@@H](C)C#N)c1nc(C2CC2)no1 ZINC001437826166 963199717 /nfs/dbraw/zinc/19/97/17/963199717.db2.gz AXWLDKHASWIAOX-VHSXEESVSA-N 1 2 291.355 1.216 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cscn1 ZINC001440900926 964236891 /nfs/dbraw/zinc/23/68/91/964236891.db2.gz BRDZALDSQNPBOX-VIFPVBQESA-N 1 2 273.789 1.946 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cscn1 ZINC001440900926 964236899 /nfs/dbraw/zinc/23/68/99/964236899.db2.gz BRDZALDSQNPBOX-VIFPVBQESA-N 1 2 273.789 1.946 20 30 CDEDLO N#CCCCC[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC001345101722 964573417 /nfs/dbraw/zinc/57/34/17/964573417.db2.gz AEXFHLUFNTZPBE-GFCCVEGCSA-N 1 2 256.313 1.573 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3C[C@@H]3C)n2CC2CC2)CC1 ZINC001346113916 964932684 /nfs/dbraw/zinc/93/26/84/964932684.db2.gz MGYPHGVRDWEWCM-DZGCQCFKSA-N 1 2 299.422 1.567 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1Cc2ccccc2O1 ZINC001442475184 965081941 /nfs/dbraw/zinc/08/19/41/965081941.db2.gz UEBWWTUOTLGESK-AWEZNQCLSA-N 1 2 294.782 1.791 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1Cc2ccccc2O1 ZINC001442475184 965081949 /nfs/dbraw/zinc/08/19/49/965081949.db2.gz UEBWWTUOTLGESK-AWEZNQCLSA-N 1 2 294.782 1.791 20 30 CDEDLO C=CCCC(C)(C)NC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001346998168 965325735 /nfs/dbraw/zinc/32/57/35/965325735.db2.gz VHZVZXNCKCITOF-AWEZNQCLSA-N 1 2 296.459 1.666 20 30 CDEDLO C=CC(C)(C)C(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001100255225 967778330 /nfs/dbraw/zinc/77/83/30/967778330.db2.gz FIWZWXDBXNRXAN-UHFFFAOYSA-N 1 2 262.357 1.550 20 30 CDEDLO C=CCn1nnnc1N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC001354293798 968614844 /nfs/dbraw/zinc/61/48/44/968614844.db2.gz OVYIWPUEEXEQRN-CYBMUJFWSA-N 1 2 299.382 1.137 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC001460111396 969476895 /nfs/dbraw/zinc/47/68/95/969476895.db2.gz MWWOKAOZQVLBGS-GFCCVEGCSA-N 1 2 273.336 1.921 20 30 CDEDLO N#Cc1cc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cs1 ZINC001464857927 969826321 /nfs/dbraw/zinc/82/63/21/969826321.db2.gz WWVQGRSXVKPLGV-UHFFFAOYSA-N 1 2 285.328 1.918 20 30 CDEDLO C=CCCCCNC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001519288598 970072320 /nfs/dbraw/zinc/07/23/20/970072320.db2.gz AELMPESZSDCSDH-AWEZNQCLSA-N 1 2 282.432 1.278 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cnc2n1CCC2 ZINC001498307269 973822419 /nfs/dbraw/zinc/82/24/19/973822419.db2.gz WYKMUUBSEJCPDX-NSHDSACASA-N 1 2 296.802 1.632 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cnc2n1CCC2 ZINC001498307269 973822426 /nfs/dbraw/zinc/82/24/26/973822426.db2.gz WYKMUUBSEJCPDX-NSHDSACASA-N 1 2 296.802 1.632 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cnn(C)c1 ZINC001374462490 973958724 /nfs/dbraw/zinc/95/87/24/973958724.db2.gz KERJNUVEBOFSQP-UHFFFAOYSA-N 1 2 270.764 1.176 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cnn(C)c1 ZINC001374462490 973958728 /nfs/dbraw/zinc/95/87/28/973958728.db2.gz KERJNUVEBOFSQP-UHFFFAOYSA-N 1 2 270.764 1.176 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cccc(=O)[nH]1 ZINC001505891235 975028002 /nfs/dbraw/zinc/02/80/02/975028002.db2.gz BUXACKCXKLHFDY-JTQLQIEISA-N 1 2 283.759 1.590 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cccc(=O)[nH]1 ZINC001505891235 975028004 /nfs/dbraw/zinc/02/80/04/975028004.db2.gz BUXACKCXKLHFDY-JTQLQIEISA-N 1 2 283.759 1.590 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1csnn1)C1CC1 ZINC001377540706 975069750 /nfs/dbraw/zinc/06/97/50/975069750.db2.gz BOPYAYQPQNWSES-UHFFFAOYSA-N 1 2 286.788 1.485 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1csnn1)C1CC1 ZINC001377540706 975069758 /nfs/dbraw/zinc/06/97/58/975069758.db2.gz BOPYAYQPQNWSES-UHFFFAOYSA-N 1 2 286.788 1.485 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCn2cc(C)cn2)C1 ZINC001378026911 975212544 /nfs/dbraw/zinc/21/25/44/975212544.db2.gz YWTZROUQPBDUMU-UHFFFAOYSA-N 1 2 296.802 1.382 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc(C)nn1C ZINC001406076975 976006750 /nfs/dbraw/zinc/00/67/50/976006750.db2.gz UYIKKBHUSKOMBJ-UHFFFAOYSA-N 1 2 284.791 1.485 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc(C)nn1C ZINC001406076975 976006763 /nfs/dbraw/zinc/00/67/63/976006763.db2.gz UYIKKBHUSKOMBJ-UHFFFAOYSA-N 1 2 284.791 1.485 20 30 CDEDLO N#Cc1ccsc1NC(=O)NCc1ccc(N)[nH+]c1 ZINC001414463113 977204958 /nfs/dbraw/zinc/20/49/58/977204958.db2.gz FGBIADAISKTOIA-UHFFFAOYSA-N 1 2 273.321 1.919 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2ccc(C#N)cc2Cl)C1 ZINC000092056311 1174354464 /nfs/dbraw/zinc/35/44/64/1174354464.db2.gz GOTAYSIJVQXWNU-NSHDSACASA-N 1 2 266.728 1.921 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2ccc(C#N)cc2Cl)C1 ZINC000092056311 1174354471 /nfs/dbraw/zinc/35/44/71/1174354471.db2.gz GOTAYSIJVQXWNU-NSHDSACASA-N 1 2 266.728 1.921 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000585817434 342456836 /nfs/dbraw/zinc/45/68/36/342456836.db2.gz ZZJOZDNONTYMMB-UKRRQHHQSA-N 1 2 279.384 1.249 20 30 CDEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cccc(C#N)n3)n2)C1 ZINC000589369101 342504622 /nfs/dbraw/zinc/50/46/22/342504622.db2.gz SAKVUTBRLFPWAS-ZDUSSCGKSA-N 1 2 299.334 1.785 20 30 CDEDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cccc(C#N)n3)n2)C1 ZINC000589369101 342504623 /nfs/dbraw/zinc/50/46/23/342504623.db2.gz SAKVUTBRLFPWAS-ZDUSSCGKSA-N 1 2 299.334 1.785 20 30 CDEDLO N#Cc1ccc(CCC(=O)N2CCc3[nH]c[nH+]c3C2)cc1 ZINC000590379649 342541187 /nfs/dbraw/zinc/54/11/87/342541187.db2.gz YKIJHTHMCUCERJ-UHFFFAOYSA-N 1 2 280.331 1.799 20 30 CDEDLO N#Cc1ccc(CCC(=O)N2CCc3[nH+]c[nH]c3C2)cc1 ZINC000590379649 342541188 /nfs/dbraw/zinc/54/11/88/342541188.db2.gz YKIJHTHMCUCERJ-UHFFFAOYSA-N 1 2 280.331 1.799 20 30 CDEDLO N#Cc1ccc(OCCN2CCn3c[nH+]cc3C2)cc1 ZINC000590599008 342579622 /nfs/dbraw/zinc/57/96/22/342579622.db2.gz CIQPJHKLQPKZHZ-UHFFFAOYSA-N 1 2 268.320 1.649 20 30 CDEDLO Cc1onc(C2CC2)c1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000580332814 342580022 /nfs/dbraw/zinc/58/00/22/342580022.db2.gz FEXBMKTZUFAOSU-AWEZNQCLSA-N 1 2 276.340 1.434 20 30 CDEDLO C=CCCOCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590725612 342584386 /nfs/dbraw/zinc/58/43/86/342584386.db2.gz PIXZFXGDVRYWQP-CYBMUJFWSA-N 1 2 263.341 1.639 20 30 CDEDLO CC(C)[C@H](NC(=O)c1ccc(C#N)cn1)c1[nH]cc[nH+]1 ZINC000565279771 365620639 /nfs/dbraw/zinc/62/06/39/365620639.db2.gz RDCXEPNWTAYFOW-LBPRGKRZSA-N 1 2 269.308 1.803 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000047931813 342146696 /nfs/dbraw/zinc/14/66/96/342146696.db2.gz LPIWPEGZRJYWNO-OLZOCXBDSA-N 1 2 298.346 1.727 20 30 CDEDLO COCC[N@H+](CCC#N)Cc1ccc2c[nH]nc2c1 ZINC000119114192 342145538 /nfs/dbraw/zinc/14/55/38/342145538.db2.gz WKXSTJKQOHOUEF-UHFFFAOYSA-N 1 2 258.325 1.925 20 30 CDEDLO COCC[N@@H+](CCC#N)Cc1ccc2c[nH]nc2c1 ZINC000119114192 342145539 /nfs/dbraw/zinc/14/55/39/342145539.db2.gz WKXSTJKQOHOUEF-UHFFFAOYSA-N 1 2 258.325 1.925 20 30 CDEDLO COc1ccc(C[NH2+]C[C@H](C#N)CCC#N)cc1O ZINC000591756682 342643803 /nfs/dbraw/zinc/64/38/03/342643803.db2.gz OWPPRCHOHZUXOH-LBPRGKRZSA-N 1 2 259.309 1.934 20 30 CDEDLO N#CCC[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000591759070 342644199 /nfs/dbraw/zinc/64/41/99/342644199.db2.gz QVLBIVNDKFHNHH-CQSZACIVSA-N 1 2 268.320 1.557 20 30 CDEDLO COc1cc(OC)cc(N2CC[C@H]([NH2+]CCC#N)C2=O)c1 ZINC000591747709 342645305 /nfs/dbraw/zinc/64/53/05/342645305.db2.gz CPFNKIPCCKLAHB-AWEZNQCLSA-N 1 2 289.335 1.312 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000592144889 342672919 /nfs/dbraw/zinc/67/29/19/342672919.db2.gz KHAHDZAPQWOBKK-CYBMUJFWSA-N 1 2 252.264 1.815 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000592144889 342672921 /nfs/dbraw/zinc/67/29/21/342672921.db2.gz KHAHDZAPQWOBKK-CYBMUJFWSA-N 1 2 252.264 1.815 20 30 CDEDLO CC#CCN1CCc2[nH+]c[nH]c2[C@H]1c1ccnn1C ZINC000625498661 342175155 /nfs/dbraw/zinc/17/51/55/342175155.db2.gz HOPAHLNABMGUPS-CQSZACIVSA-N 1 2 255.325 1.114 20 30 CDEDLO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000602895555 342192942 /nfs/dbraw/zinc/19/29/42/342192942.db2.gz AFCVYRMHSWBTQN-KGLIPLIRSA-N 1 2 280.755 1.529 20 30 CDEDLO C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000602895555 342192943 /nfs/dbraw/zinc/19/29/43/342192943.db2.gz AFCVYRMHSWBTQN-KGLIPLIRSA-N 1 2 280.755 1.529 20 30 CDEDLO CC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000078320986 342203943 /nfs/dbraw/zinc/20/39/43/342203943.db2.gz RFSREFNQONSEHC-AWEZNQCLSA-N 1 2 276.336 1.474 20 30 CDEDLO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000078320986 342203944 /nfs/dbraw/zinc/20/39/44/342203944.db2.gz RFSREFNQONSEHC-AWEZNQCLSA-N 1 2 276.336 1.474 20 30 CDEDLO COC(=O)C[N@H+](CCOc1ccc(C#N)cc1)C1CC1 ZINC000079501484 342208351 /nfs/dbraw/zinc/20/83/51/342208351.db2.gz SNMODSJYDNNOOO-UHFFFAOYSA-N 1 2 274.320 1.574 20 30 CDEDLO COC(=O)C[N@@H+](CCOc1ccc(C#N)cc1)C1CC1 ZINC000079501484 342208352 /nfs/dbraw/zinc/20/83/52/342208352.db2.gz SNMODSJYDNNOOO-UHFFFAOYSA-N 1 2 274.320 1.574 20 30 CDEDLO Cc1[nH]nc(NC(=O)Cc2cn3cccc(C)c3[nH+]2)c1C#N ZINC000588714883 342219979 /nfs/dbraw/zinc/21/99/79/342219979.db2.gz LKWZNBPQOMLXNP-UHFFFAOYSA-N 1 2 294.318 1.727 20 30 CDEDLO N#C[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000332990626 539050706 /nfs/dbraw/zinc/05/07/06/539050706.db2.gz DTXPKDFTBGNPQT-QJPTWQEYSA-N 1 2 273.340 1.189 20 30 CDEDLO CC(C)(C)n1nnc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)n1 ZINC000594509655 342914946 /nfs/dbraw/zinc/91/49/46/342914946.db2.gz JXIXWSXYXHBSOU-MNOVXSKESA-N 1 2 262.361 1.600 20 30 CDEDLO C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)C[C@H](C)[S@@]1=O ZINC000595454471 343067124 /nfs/dbraw/zinc/06/71/24/343067124.db2.gz LLERPWQGVFQLFM-DBWKPXFBSA-N 1 2 276.405 1.942 20 30 CDEDLO C[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)C[C@H](C)[S@@]1=O ZINC000595454471 343067126 /nfs/dbraw/zinc/06/71/26/343067126.db2.gz LLERPWQGVFQLFM-DBWKPXFBSA-N 1 2 276.405 1.942 20 30 CDEDLO C[C@@H]1CSCCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329732445 362028943 /nfs/dbraw/zinc/02/89/43/362028943.db2.gz QDSKKTDCSQLXAJ-NXEZZACHSA-N 1 2 280.397 1.618 20 30 CDEDLO C[C@@H]1CSCCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329732445 362028950 /nfs/dbraw/zinc/02/89/50/362028950.db2.gz QDSKKTDCSQLXAJ-NXEZZACHSA-N 1 2 280.397 1.618 20 30 CDEDLO C[C@H](C#N)CN(C)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000079060177 342342224 /nfs/dbraw/zinc/34/22/24/342342224.db2.gz UPKYJMZSLLTOAD-GFCCVEGCSA-N 1 2 298.350 1.568 20 30 CDEDLO C=CCCSCCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000595724331 343139980 /nfs/dbraw/zinc/13/99/80/343139980.db2.gz YEMMBDKTSMIJIQ-UHFFFAOYSA-N 1 2 268.386 1.860 20 30 CDEDLO C=CCCSCCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000595724331 343139981 /nfs/dbraw/zinc/13/99/81/343139981.db2.gz YEMMBDKTSMIJIQ-UHFFFAOYSA-N 1 2 268.386 1.860 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000079952239 342348893 /nfs/dbraw/zinc/34/88/93/342348893.db2.gz XIXADBRQPGJPJK-CQSZACIVSA-N 1 2 290.367 1.882 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000079952239 342348894 /nfs/dbraw/zinc/34/88/94/342348894.db2.gz XIXADBRQPGJPJK-CQSZACIVSA-N 1 2 290.367 1.882 20 30 CDEDLO CC[N@H+](C[C@@H](O)Cc1ccc(F)cc1)[C@@H](C)C#N ZINC000595820596 343166123 /nfs/dbraw/zinc/16/61/23/343166123.db2.gz MZNDAQDOYRPRHZ-FZMZJTMJSA-N 1 2 250.317 1.963 20 30 CDEDLO CC[N@@H+](C[C@@H](O)Cc1ccc(F)cc1)[C@@H](C)C#N ZINC000595820596 343166125 /nfs/dbraw/zinc/16/61/25/343166125.db2.gz MZNDAQDOYRPRHZ-FZMZJTMJSA-N 1 2 250.317 1.963 20 30 CDEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)NC(=O)NCC(C)C ZINC000081039433 342363283 /nfs/dbraw/zinc/36/32/83/342363283.db2.gz RFTAGDCRECMFGJ-LLVKDONJSA-N 1 2 268.361 1.092 20 30 CDEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)NC(=O)NCC(C)C ZINC000081039433 342363284 /nfs/dbraw/zinc/36/32/84/342363284.db2.gz RFTAGDCRECMFGJ-LLVKDONJSA-N 1 2 268.361 1.092 20 30 CDEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)NCCc1ccccc1 ZINC000081513833 342371480 /nfs/dbraw/zinc/37/14/80/342371480.db2.gz OHRKMLOPKVMSTI-CQSZACIVSA-N 1 2 273.380 1.969 20 30 CDEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)NCCc1ccccc1 ZINC000081513833 342371481 /nfs/dbraw/zinc/37/14/81/342371481.db2.gz OHRKMLOPKVMSTI-CQSZACIVSA-N 1 2 273.380 1.969 20 30 CDEDLO C[C@H]1CCN(c2cc(C#N)cnn2)C[C@@H]1n1cc[nH+]c1 ZINC000596158205 343255101 /nfs/dbraw/zinc/25/51/01/343255101.db2.gz UAJVESFMLJGNQY-AAEUAGOBSA-N 1 2 268.324 1.632 20 30 CDEDLO Cc1cccn2cc(CCNc3c(C#N)cnn3C)[nH+]c12 ZINC000596152901 343246260 /nfs/dbraw/zinc/24/62/60/343246260.db2.gz RJECTMIVQOVLGI-UHFFFAOYSA-N 1 2 280.335 1.903 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C)cc2)CC1 ZINC000085270196 342382522 /nfs/dbraw/zinc/38/25/22/342382522.db2.gz UETZGHZWXWKFJD-UHFFFAOYSA-N 1 2 271.364 1.184 20 30 CDEDLO N#CCCCS(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000088777157 342387303 /nfs/dbraw/zinc/38/73/03/342387303.db2.gz IGQLVONRLSNPHG-NSHDSACASA-N 1 2 282.369 1.223 20 30 CDEDLO Fc1ccc(C#CC[N@@H+]2CCc3n[nH]cc3C2)cc1 ZINC000091079103 342400121 /nfs/dbraw/zinc/40/01/21/342400121.db2.gz BXCVTIZNHXXSFN-UHFFFAOYSA-N 1 2 255.296 1.959 20 30 CDEDLO Fc1ccc(C#CC[N@H+]2CCc3n[nH]cc3C2)cc1 ZINC000091079103 342400122 /nfs/dbraw/zinc/40/01/22/342400122.db2.gz BXCVTIZNHXXSFN-UHFFFAOYSA-N 1 2 255.296 1.959 20 30 CDEDLO CCOCC[N@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000093313238 342425329 /nfs/dbraw/zinc/42/53/29/342425329.db2.gz GVKVUQVUMRFQEE-ZDUSSCGKSA-N 1 2 261.325 1.053 20 30 CDEDLO CCOCC[N@@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000093313238 342425330 /nfs/dbraw/zinc/42/53/30/342425330.db2.gz GVKVUQVUMRFQEE-ZDUSSCGKSA-N 1 2 261.325 1.053 20 30 CDEDLO C#CCOc1ccccc1C[NH+]1CCN(C(=O)OC)CC1 ZINC000092217309 342408022 /nfs/dbraw/zinc/40/80/22/342408022.db2.gz INEYBTFNMXFYBP-UHFFFAOYSA-N 1 2 288.347 1.583 20 30 CDEDLO COCCN1CC[N@H+](CCCCC(C)(C)C#N)CC1=O ZINC000444670255 362196924 /nfs/dbraw/zinc/19/69/24/362196924.db2.gz GHJCPZWKHFDAGU-UHFFFAOYSA-N 1 2 281.400 1.497 20 30 CDEDLO COCCN1CC[N@@H+](CCCCC(C)(C)C#N)CC1=O ZINC000444670255 362196930 /nfs/dbraw/zinc/19/69/30/362196930.db2.gz GHJCPZWKHFDAGU-UHFFFAOYSA-N 1 2 281.400 1.497 20 30 CDEDLO COCC#CC[N@@H+]1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000645181490 362226643 /nfs/dbraw/zinc/22/66/43/362226643.db2.gz KGBHDNZBVNDMEH-INIZCTEOSA-N 1 2 286.375 1.069 20 30 CDEDLO COCC#CC[N@H+]1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000645181490 362226648 /nfs/dbraw/zinc/22/66/48/362226648.db2.gz KGBHDNZBVNDMEH-INIZCTEOSA-N 1 2 286.375 1.069 20 30 CDEDLO C=CCOC[C@H](NCc1[nH+]ccn1C(C)C)C(=O)OC ZINC000597117345 343457921 /nfs/dbraw/zinc/45/79/21/343457921.db2.gz OKQWXMGLKAEQFE-LBPRGKRZSA-N 1 2 281.356 1.298 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2cc(C#N)cs2)[C@@H](C(N)=O)C1 ZINC000249973381 365785554 /nfs/dbraw/zinc/78/55/54/365785554.db2.gz KQIJYSHIQKHIKU-JOYOIKCWSA-N 1 2 263.366 1.706 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2cc(C#N)cs2)[C@@H](C(N)=O)C1 ZINC000249973381 365785557 /nfs/dbraw/zinc/78/55/57/365785557.db2.gz KQIJYSHIQKHIKU-JOYOIKCWSA-N 1 2 263.366 1.706 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1ccc(C#N)cc1 ZINC000597894295 343660415 /nfs/dbraw/zinc/66/04/15/343660415.db2.gz NTSUBTNGDFFONB-LBPRGKRZSA-N 1 2 282.347 1.819 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCc1ccc(C#N)cc1 ZINC000597894295 343660419 /nfs/dbraw/zinc/66/04/19/343660419.db2.gz NTSUBTNGDFFONB-LBPRGKRZSA-N 1 2 282.347 1.819 20 30 CDEDLO C=CCCSCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000597970312 343687573 /nfs/dbraw/zinc/68/75/73/343687573.db2.gz NXHDKBXMGSCVPP-LBPRGKRZSA-N 1 2 279.409 1.871 20 30 CDEDLO C[C@]1(C#N)CCCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000612002700 346962101 /nfs/dbraw/zinc/96/21/01/346962101.db2.gz PQZFGQBODYXOSD-CQSZACIVSA-N 1 2 275.356 1.608 20 30 CDEDLO C=C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(=O)OC ZINC000619702956 349858859 /nfs/dbraw/zinc/85/88/59/349858859.db2.gz CCXPGLUVANGIKT-YFKTTZPYSA-N 1 2 251.326 1.261 20 30 CDEDLO C=C[C@H]([NH2+]CC1(CCOC)CCCC1)C(=O)OC ZINC000619703170 349860004 /nfs/dbraw/zinc/86/00/04/349860004.db2.gz HFZPZMPIUYITMH-LBPRGKRZSA-N 1 2 255.358 1.901 20 30 CDEDLO C[C@@H](NC(=O)c1cc(C#N)cs1)c1[nH+]ccn1C ZINC000598466359 343807061 /nfs/dbraw/zinc/80/70/61/343807061.db2.gz ZKXJDXLSJWYJPH-MRVPVSSYSA-N 1 2 260.322 1.844 20 30 CDEDLO COC(=O)C1([NH2+]C[C@H](O)CC(C)(C)C#N)CCCC1 ZINC000598599422 343830849 /nfs/dbraw/zinc/83/08/49/343830849.db2.gz NUDDMQSNJMETRY-LLVKDONJSA-N 1 2 268.357 1.363 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000598591411 343838430 /nfs/dbraw/zinc/83/84/30/343838430.db2.gz AZBQDSYMOSWSBW-QWHCGFSZSA-N 1 2 278.352 1.954 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000598591411 343838432 /nfs/dbraw/zinc/83/84/32/343838432.db2.gz AZBQDSYMOSWSBW-QWHCGFSZSA-N 1 2 278.352 1.954 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CCc2cc(F)ccc21 ZINC000598836397 343914601 /nfs/dbraw/zinc/91/46/01/343914601.db2.gz IENMJSLGWAWFJX-GOEBONIOSA-N 1 2 289.354 1.816 20 30 CDEDLO N#Cc1ccc(CC(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000598945382 343925186 /nfs/dbraw/zinc/92/51/86/343925186.db2.gz BAWQSCBCXIOOAW-CQSZACIVSA-N 1 2 280.331 1.428 20 30 CDEDLO CC1CC(C#N)(C(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000598949038 343933645 /nfs/dbraw/zinc/93/36/45/343933645.db2.gz SMWMELASUIWVFF-CVZZAPKMSA-N 1 2 258.325 1.254 20 30 CDEDLO C[N@H+](CC1(C#N)CC1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000331921495 362347288 /nfs/dbraw/zinc/34/72/88/362347288.db2.gz FMGSNSAHQPHLFM-NEPJUHHUSA-N 1 2 270.398 1.578 20 30 CDEDLO C[N@@H+](CC1(C#N)CC1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000331921495 362347291 /nfs/dbraw/zinc/34/72/91/362347291.db2.gz FMGSNSAHQPHLFM-NEPJUHHUSA-N 1 2 270.398 1.578 20 30 CDEDLO N#CCc1ccccc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000601650290 344212479 /nfs/dbraw/zinc/21/24/79/344212479.db2.gz SIINRPKASMFPOM-CYBMUJFWSA-N 1 2 280.331 1.694 20 30 CDEDLO Cc1ccnc(NC(=O)C[N@@H+](C)CC2(CC#N)CC2)c1 ZINC000602771867 344576418 /nfs/dbraw/zinc/57/64/18/344576418.db2.gz HOIWRFMRWLTAEQ-UHFFFAOYSA-N 1 2 272.352 1.954 20 30 CDEDLO Cc1ccnc(NC(=O)C[N@H+](C)CC2(CC#N)CC2)c1 ZINC000602771867 344576421 /nfs/dbraw/zinc/57/64/21/344576421.db2.gz HOIWRFMRWLTAEQ-UHFFFAOYSA-N 1 2 272.352 1.954 20 30 CDEDLO CCCn1cc(C[NH+]2CCN(CCC#N)CC2)cn1 ZINC000602748091 344562316 /nfs/dbraw/zinc/56/23/16/344562316.db2.gz KHEBMAVSTYEZDT-UHFFFAOYSA-N 1 2 261.373 1.324 20 30 CDEDLO CCCn1nccc1NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000602809242 344602400 /nfs/dbraw/zinc/60/24/00/344602400.db2.gz ZOPVDPHPOFUVFS-UHFFFAOYSA-N 1 2 289.383 1.857 20 30 CDEDLO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@H](C)CC#N)c1 ZINC000602864471 344637945 /nfs/dbraw/zinc/63/79/45/344637945.db2.gz RLZCPEHWASDOJI-SNVBAGLBSA-N 1 2 274.324 1.475 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N[C@@H](C)c1cccs1 ZINC000602866268 344639107 /nfs/dbraw/zinc/63/91/07/344639107.db2.gz ZQFRWGSCQQSCFO-UWVGGRQHSA-N 1 2 251.355 1.817 20 30 CDEDLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N)cc1OC ZINC000602869982 344640426 /nfs/dbraw/zinc/64/04/26/344640426.db2.gz RLIFTUJLCLYCLI-WDEREUQCSA-N 1 2 291.351 1.923 20 30 CDEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@H+](CC2(CC#N)CC2)C1 ZINC000602916681 344649183 /nfs/dbraw/zinc/64/91/83/344649183.db2.gz QEUNFTMZPFBYHH-NEPJUHHUSA-N 1 2 294.351 1.107 20 30 CDEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@@H+](CC2(CC#N)CC2)C1 ZINC000602916681 344649185 /nfs/dbraw/zinc/64/91/85/344649185.db2.gz QEUNFTMZPFBYHH-NEPJUHHUSA-N 1 2 294.351 1.107 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cccc(C(=O)OC)c2)nn1 ZINC000603217086 344746108 /nfs/dbraw/zinc/74/61/08/344746108.db2.gz ZLNMMBMBYJLZHD-UHFFFAOYSA-N 1 2 298.346 1.226 20 30 CDEDLO C[C@@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)CC[S@]1=O ZINC000537617882 282375373 /nfs/dbraw/zinc/37/53/73/282375373.db2.gz JPBXZVZVLAWXTN-BIBXISHDSA-N 1 2 288.376 1.159 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(C)c2C)CC1 ZINC000051185053 345091580 /nfs/dbraw/zinc/09/15/80/345091580.db2.gz CUAIQKDNWUHRMW-UHFFFAOYSA-N 1 2 286.375 1.460 20 30 CDEDLO N#CCCCC[N@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000072799281 345370692 /nfs/dbraw/zinc/37/06/92/345370692.db2.gz RSJMRHCYMPTJQL-LBPRGKRZSA-N 1 2 263.366 1.915 20 30 CDEDLO N#CCCCC[N@@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000072799281 345370693 /nfs/dbraw/zinc/37/06/93/345370693.db2.gz RSJMRHCYMPTJQL-LBPRGKRZSA-N 1 2 263.366 1.915 20 30 CDEDLO N#CCC1(CNc2cc(N3CCC[C@H]3CO)nc[nH+]2)CC1 ZINC000619527657 345450884 /nfs/dbraw/zinc/45/08/84/345450884.db2.gz GGOMBPONRIHFRH-LBPRGKRZSA-N 1 2 287.367 1.543 20 30 CDEDLO N#CCC1(CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000619527657 345450886 /nfs/dbraw/zinc/45/08/86/345450886.db2.gz GGOMBPONRIHFRH-LBPRGKRZSA-N 1 2 287.367 1.543 20 30 CDEDLO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609538406 345594874 /nfs/dbraw/zinc/59/48/74/345594874.db2.gz LBJLUQCYHBWNFI-ZNMIVQPWSA-N 1 2 294.443 1.455 20 30 CDEDLO C[N@H+](CCN1CCCC1=O)Cc1ccc(F)cc1C#N ZINC000609578219 345816234 /nfs/dbraw/zinc/81/62/34/345816234.db2.gz HMXMNSBRLIQPIS-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO C[N@@H+](CCN1CCCC1=O)Cc1ccc(F)cc1C#N ZINC000609578219 345816238 /nfs/dbraw/zinc/81/62/38/345816238.db2.gz HMXMNSBRLIQPIS-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO C=CCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000617617889 345880071 /nfs/dbraw/zinc/88/00/71/345880071.db2.gz ZSCJYFNFMHCXLU-ZDUSSCGKSA-N 1 2 252.358 1.322 20 30 CDEDLO C=CCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000617617889 345880075 /nfs/dbraw/zinc/88/00/75/345880075.db2.gz ZSCJYFNFMHCXLU-ZDUSSCGKSA-N 1 2 252.358 1.322 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635889090 362689890 /nfs/dbraw/zinc/68/98/90/362689890.db2.gz HMCYRLJFMHUUIU-NHYWBVRUSA-N 1 2 277.368 1.612 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccc(C)o1)C1CC1 ZINC000051965654 346378637 /nfs/dbraw/zinc/37/86/37/346378637.db2.gz NZMUBOWJPUWXJM-UHFFFAOYSA-N 1 2 291.351 1.564 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1ccc(C)o1)C1CC1 ZINC000051965654 346378641 /nfs/dbraw/zinc/37/86/41/346378641.db2.gz NZMUBOWJPUWXJM-UHFFFAOYSA-N 1 2 291.351 1.564 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000584663338 346385697 /nfs/dbraw/zinc/38/56/97/346385697.db2.gz YWMDVAFQRMSKPV-GFCCVEGCSA-N 1 2 284.356 1.881 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1cc(=O)n2c(C)csc2n1 ZINC000584728260 346420638 /nfs/dbraw/zinc/42/06/38/346420638.db2.gz GRJLEXLEOCIJTD-SNVBAGLBSA-N 1 2 276.365 1.846 20 30 CDEDLO C=CCOc1ccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)cc1 ZINC000449521916 362744282 /nfs/dbraw/zinc/74/42/82/362744282.db2.gz ICPHKCFFMMVOPX-LBPRGKRZSA-N 1 2 260.337 1.572 20 30 CDEDLO C=CCOc1ccc(C[N@H+]2CC(=O)N[C@@H](C)C2)cc1 ZINC000449521916 362744287 /nfs/dbraw/zinc/74/42/87/362744287.db2.gz ICPHKCFFMMVOPX-LBPRGKRZSA-N 1 2 260.337 1.572 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000611268545 346730549 /nfs/dbraw/zinc/73/05/49/346730549.db2.gz MBODKBZAERQXFA-LLVKDONJSA-N 1 2 281.381 1.792 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000611268545 346730550 /nfs/dbraw/zinc/73/05/50/346730550.db2.gz MBODKBZAERQXFA-LLVKDONJSA-N 1 2 281.381 1.792 20 30 CDEDLO C=C[C@](C)(O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000612348082 347124730 /nfs/dbraw/zinc/12/47/30/347124730.db2.gz URURFHJPNXOYCS-DYEKYZERSA-N 1 2 263.341 1.230 20 30 CDEDLO C[C@@]1(C#N)CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000612364403 347132741 /nfs/dbraw/zinc/13/27/41/347132741.db2.gz AFEKPHUHBSUBLA-DOMZBBRYSA-N 1 2 272.352 1.598 20 30 CDEDLO Cc1nc(C2([NH2+]CC(=O)NCC#N)CCCCCC2)no1 ZINC000066496793 347489359 /nfs/dbraw/zinc/48/93/59/347489359.db2.gz NJXVFRYVHQOZFM-UHFFFAOYSA-N 1 2 291.355 1.157 20 30 CDEDLO C=CC[N@H+](CC(=O)N1CCOCC1)Cc1ccccc1F ZINC000056312589 347781001 /nfs/dbraw/zinc/78/10/01/347781001.db2.gz CSSFFYRKHGJFDD-UHFFFAOYSA-N 1 2 292.354 1.673 20 30 CDEDLO C=CC[N@@H+](CC(=O)N1CCOCC1)Cc1ccccc1F ZINC000056312589 347781005 /nfs/dbraw/zinc/78/10/05/347781005.db2.gz CSSFFYRKHGJFDD-UHFFFAOYSA-N 1 2 292.354 1.673 20 30 CDEDLO Cc1c(Cl)cnc(NC[C@H]2C[N@H+](C)CCO2)c1C#N ZINC000273324680 192113554 /nfs/dbraw/zinc/11/35/54/192113554.db2.gz LAPRJUACIXZSGI-JTQLQIEISA-N 1 2 280.759 1.658 20 30 CDEDLO Cc1c(Cl)cnc(NC[C@H]2C[N@@H+](C)CCO2)c1C#N ZINC000273324680 192113556 /nfs/dbraw/zinc/11/35/56/192113556.db2.gz LAPRJUACIXZSGI-JTQLQIEISA-N 1 2 280.759 1.658 20 30 CDEDLO N#C[C@]1(F)CCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000615530466 348577094 /nfs/dbraw/zinc/57/70/94/348577094.db2.gz IFVOOFFNSQLHKZ-GFCCVEGCSA-N 1 2 258.260 1.104 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615552191 348586118 /nfs/dbraw/zinc/58/61/18/348586118.db2.gz CKWUPRNYZKKZBR-CABCVRRESA-N 1 2 296.411 1.291 20 30 CDEDLO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ncn(C)n2)cc1 ZINC000090970113 180078441 /nfs/dbraw/zinc/07/84/41/180078441.db2.gz COBLJFGEPNERSR-GFCCVEGCSA-N 1 2 270.336 1.678 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)C[C@@]2(CCOC2)O1 ZINC000602644281 350136168 /nfs/dbraw/zinc/13/61/68/350136168.db2.gz LXGQNGGRDNGCNU-IUODEOHRSA-N 1 2 273.336 1.333 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)C[C@@]2(CCOC2)O1 ZINC000602644281 350136172 /nfs/dbraw/zinc/13/61/72/350136172.db2.gz LXGQNGGRDNGCNU-IUODEOHRSA-N 1 2 273.336 1.333 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620606430 350280123 /nfs/dbraw/zinc/28/01/23/350280123.db2.gz SNHOKVOQEWDTIC-SMDDNHRTSA-N 1 2 265.357 1.826 20 30 CDEDLO C[C@H](CC#N)[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000068612968 351111644 /nfs/dbraw/zinc/11/16/44/351111644.db2.gz XSYGBQHRDDBPMU-LLVKDONJSA-N 1 2 252.339 1.352 20 30 CDEDLO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000154135693 351270402 /nfs/dbraw/zinc/27/04/02/351270402.db2.gz FKIMTBMJYQDMRJ-NSHDSACASA-N 1 2 299.421 1.133 20 30 CDEDLO CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000154135693 351270406 /nfs/dbraw/zinc/27/04/06/351270406.db2.gz FKIMTBMJYQDMRJ-NSHDSACASA-N 1 2 299.421 1.133 20 30 CDEDLO C#Cc1ccccc1CC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000291893627 198098285 /nfs/dbraw/zinc/09/82/85/198098285.db2.gz JGCGWKLXEWHCGX-CQSZACIVSA-N 1 2 281.359 1.859 20 30 CDEDLO CC#CC[N@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000292037215 198141637 /nfs/dbraw/zinc/14/16/37/198141637.db2.gz ACNHBUASQLRBRK-UHFFFAOYSA-N 1 2 260.312 1.912 20 30 CDEDLO CC#CC[N@@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000292037215 198141638 /nfs/dbraw/zinc/14/16/38/198141638.db2.gz ACNHBUASQLRBRK-UHFFFAOYSA-N 1 2 260.312 1.912 20 30 CDEDLO Cc1nc(NC[C@@H]2C[N@H+](C)CCO2)c(Cl)cc1C#N ZINC000292517060 198317707 /nfs/dbraw/zinc/31/77/07/198317707.db2.gz GTQUEEZWCVRFEY-LLVKDONJSA-N 1 2 280.759 1.658 20 30 CDEDLO Cc1nc(NC[C@@H]2C[N@@H+](C)CCO2)c(Cl)cc1C#N ZINC000292517060 198317708 /nfs/dbraw/zinc/31/77/08/198317708.db2.gz GTQUEEZWCVRFEY-LLVKDONJSA-N 1 2 280.759 1.658 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000292578309 198338933 /nfs/dbraw/zinc/33/89/33/198338933.db2.gz HZPHTKJUVNIDOB-LBPRGKRZSA-N 1 2 297.362 1.639 20 30 CDEDLO C=CCCCS(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000292704125 198381902 /nfs/dbraw/zinc/38/19/02/198381902.db2.gz SWVHNZDLQIANFN-UHFFFAOYSA-N 1 2 279.365 1.720 20 30 CDEDLO CS(=O)(=O)CC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000292709232 198383569 /nfs/dbraw/zinc/38/35/69/198383569.db2.gz DCVOZIZKSWFQNW-UHFFFAOYSA-N 1 2 298.433 1.876 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1sccc1C ZINC000569986222 363267720 /nfs/dbraw/zinc/26/77/20/363267720.db2.gz PNHMXSAPNVSGLP-LLVKDONJSA-N 1 2 265.382 1.955 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[S@](=O)CC[C@H]2C)cc1C#N ZINC000365474109 363388453 /nfs/dbraw/zinc/38/84/53/363388453.db2.gz MYUNFZSLZHBLEQ-MPBGBICISA-N 1 2 292.404 1.910 20 30 CDEDLO COc1ccc(C[N@H+]2CC[S@](=O)CC[C@H]2C)cc1C#N ZINC000365474109 363388456 /nfs/dbraw/zinc/38/84/56/363388456.db2.gz MYUNFZSLZHBLEQ-MPBGBICISA-N 1 2 292.404 1.910 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)s1 ZINC000336417533 356172023 /nfs/dbraw/zinc/17/20/23/356172023.db2.gz RMBTYNNRJJIWJH-LLVKDONJSA-N 1 2 275.377 1.930 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)s1 ZINC000336417533 356172025 /nfs/dbraw/zinc/17/20/25/356172025.db2.gz RMBTYNNRJJIWJH-LLVKDONJSA-N 1 2 275.377 1.930 20 30 CDEDLO CN1CC[C@H]([N@H+](C)Cc2cccc(C#N)c2F)C1=O ZINC000336435463 356174495 /nfs/dbraw/zinc/17/44/95/356174495.db2.gz FZSJTFRJQHXOEX-LBPRGKRZSA-N 1 2 261.300 1.360 20 30 CDEDLO CN1CC[C@H]([N@@H+](C)Cc2cccc(C#N)c2F)C1=O ZINC000336435463 356174498 /nfs/dbraw/zinc/17/44/98/356174498.db2.gz FZSJTFRJQHXOEX-LBPRGKRZSA-N 1 2 261.300 1.360 20 30 CDEDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1cc(C#N)cs1 ZINC000336348449 356148578 /nfs/dbraw/zinc/14/85/78/356148578.db2.gz DWVHCVAYKYRBQF-QGHHPUGFSA-N 1 2 268.407 1.963 20 30 CDEDLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1cc(C#N)cs1 ZINC000336348449 356148581 /nfs/dbraw/zinc/14/85/81/356148581.db2.gz DWVHCVAYKYRBQF-QGHHPUGFSA-N 1 2 268.407 1.963 20 30 CDEDLO C[N@@H+]1CCc2ncnc(N[C@@H]3CCC[C@H]3C#N)c2C1 ZINC000330054816 283181879 /nfs/dbraw/zinc/18/18/79/283181879.db2.gz SQBFHWRGCCNAHH-CMPLNLGQSA-N 1 2 257.341 1.569 20 30 CDEDLO C[N@H+]1CCc2ncnc(N[C@@H]3CCC[C@H]3C#N)c2C1 ZINC000330054816 283181880 /nfs/dbraw/zinc/18/18/80/283181880.db2.gz SQBFHWRGCCNAHH-CMPLNLGQSA-N 1 2 257.341 1.569 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCOCC23CCC3)C1=O ZINC000334175557 358506195 /nfs/dbraw/zinc/50/61/95/358506195.db2.gz CKOGRVOXACFURC-GFCCVEGCSA-N 1 2 250.342 1.028 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCOCC23CCC3)C1=O ZINC000334175557 358506199 /nfs/dbraw/zinc/50/61/99/358506199.db2.gz CKOGRVOXACFURC-GFCCVEGCSA-N 1 2 250.342 1.028 20 30 CDEDLO C=CCCN(C)C(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000298550089 356886957 /nfs/dbraw/zinc/88/69/57/356886957.db2.gz CFULOTIJDPMADX-LBPRGKRZSA-N 1 2 290.367 1.498 20 30 CDEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000181567663 357361238 /nfs/dbraw/zinc/36/12/38/357361238.db2.gz HDXBOSMLANBURB-GFCCVEGCSA-N 1 2 299.421 1.133 20 30 CDEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000181567663 357361243 /nfs/dbraw/zinc/36/12/43/357361243.db2.gz HDXBOSMLANBURB-GFCCVEGCSA-N 1 2 299.421 1.133 20 30 CDEDLO C[C@@H](CC(=O)Nc1nn(C)cc1C#N)n1cc[nH+]c1 ZINC000566303489 357452354 /nfs/dbraw/zinc/45/23/54/357452354.db2.gz DRNPXHSEHPMDMT-VIFPVBQESA-N 1 2 258.285 1.078 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)[C@H]1CCN(C2CCOCC2)C1=O ZINC000407951425 357670716 /nfs/dbraw/zinc/67/07/16/357670716.db2.gz SSKUUNQXUHCZJL-AAEUAGOBSA-N 1 2 265.357 1.000 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)[C@H]1CCN(C2CCOCC2)C1=O ZINC000407951425 357670719 /nfs/dbraw/zinc/67/07/19/357670719.db2.gz SSKUUNQXUHCZJL-AAEUAGOBSA-N 1 2 265.357 1.000 20 30 CDEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000408084911 357817701 /nfs/dbraw/zinc/81/77/01/357817701.db2.gz UYYNRZHITBGPQY-RYUDHWBXSA-N 1 2 293.392 1.271 20 30 CDEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000408084911 357817705 /nfs/dbraw/zinc/81/77/05/357817705.db2.gz UYYNRZHITBGPQY-RYUDHWBXSA-N 1 2 293.392 1.271 20 30 CDEDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000335253786 357894350 /nfs/dbraw/zinc/89/43/50/357894350.db2.gz ZRXKEGJSMUHJQS-GFCCVEGCSA-N 1 2 276.315 1.201 20 30 CDEDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000335253786 357894352 /nfs/dbraw/zinc/89/43/52/357894352.db2.gz ZRXKEGJSMUHJQS-GFCCVEGCSA-N 1 2 276.315 1.201 20 30 CDEDLO CCC#C[C@H](C)[NH+]1CCC(CS(C)(=O)=O)CC1 ZINC000644783423 358016131 /nfs/dbraw/zinc/01/61/31/358016131.db2.gz AWISVPQHAGVZJF-LBPRGKRZSA-N 1 2 257.399 1.545 20 30 CDEDLO C=CC(C)(C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000294713138 199147511 /nfs/dbraw/zinc/14/75/11/199147511.db2.gz WDYRRKUVLHJVTD-UHFFFAOYSA-N 1 2 292.383 1.366 20 30 CDEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)o2)C[C@H]1C ZINC000408116022 358159600 /nfs/dbraw/zinc/15/96/00/358159600.db2.gz SOGRYCJCQMGCIM-MNOVXSKESA-N 1 2 297.380 1.254 20 30 CDEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)o2)C[C@H]1C ZINC000408116022 358159604 /nfs/dbraw/zinc/15/96/04/358159604.db2.gz SOGRYCJCQMGCIM-MNOVXSKESA-N 1 2 297.380 1.254 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000083219138 358203410 /nfs/dbraw/zinc/20/34/10/358203410.db2.gz FHXFYAMFWYORIF-CYBMUJFWSA-N 1 2 259.309 1.857 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000083219138 358203413 /nfs/dbraw/zinc/20/34/13/358203413.db2.gz FHXFYAMFWYORIF-CYBMUJFWSA-N 1 2 259.309 1.857 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@H+](C)CCC#N ZINC000083218905 358203549 /nfs/dbraw/zinc/20/35/49/358203549.db2.gz QDRVTBDMJPAIIQ-UHFFFAOYSA-N 1 2 259.309 1.791 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@@H+](C)CCC#N ZINC000083218905 358203551 /nfs/dbraw/zinc/20/35/51/358203551.db2.gz QDRVTBDMJPAIIQ-UHFFFAOYSA-N 1 2 259.309 1.791 20 30 CDEDLO Cc1nsc(N[C@H](C)C[NH+]2CCOCC2)c1C#N ZINC000092912562 358887845 /nfs/dbraw/zinc/88/78/45/358887845.db2.gz HVEWFIFAEHDAGJ-SECBINFHSA-N 1 2 266.370 1.456 20 30 CDEDLO N#Cc1ccc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)cn1 ZINC000356696663 366530966 /nfs/dbraw/zinc/53/09/66/366530966.db2.gz GCPDZBVTQISKDH-CYBMUJFWSA-N 1 2 297.318 1.539 20 30 CDEDLO N#Cc1ccc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)cn1 ZINC000356696663 366530970 /nfs/dbraw/zinc/53/09/70/366530970.db2.gz GCPDZBVTQISKDH-CYBMUJFWSA-N 1 2 297.318 1.539 20 30 CDEDLO C=CC[N@@H+](C)CN1C[C@@H](NC(=O)OC(C)(C)C)CC1=O ZINC000495489007 366525642 /nfs/dbraw/zinc/52/56/42/366525642.db2.gz ZTDSYSWFGCUHDT-NSHDSACASA-N 1 2 283.372 1.187 20 30 CDEDLO C=CC[N@H+](C)CN1C[C@@H](NC(=O)OC(C)(C)C)CC1=O ZINC000495489007 366525646 /nfs/dbraw/zinc/52/56/46/366525646.db2.gz ZTDSYSWFGCUHDT-NSHDSACASA-N 1 2 283.372 1.187 20 30 CDEDLO COCC[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000291346896 358938739 /nfs/dbraw/zinc/93/87/39/358938739.db2.gz WQPPPWZEKJGVAL-OAHLLOKOSA-N 1 2 290.363 1.804 20 30 CDEDLO COCC[C@@H]1COCC[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000291346896 358938743 /nfs/dbraw/zinc/93/87/43/358938743.db2.gz WQPPPWZEKJGVAL-OAHLLOKOSA-N 1 2 290.363 1.804 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCCNc1cccc[nH+]1)OCC ZINC000270499657 359400047 /nfs/dbraw/zinc/40/00/47/359400047.db2.gz VYCWJWPZOMVRDO-CYBMUJFWSA-N 1 2 277.368 1.981 20 30 CDEDLO C#CC[NH+]1CCN(c2ncc(Cl)c(C)c2C#N)CC1 ZINC000273340509 359466408 /nfs/dbraw/zinc/46/64/08/359466408.db2.gz NPUYDPPTDLUBHR-UHFFFAOYSA-N 1 2 274.755 1.670 20 30 CDEDLO C#CCC(C)(C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000274309555 359503187 /nfs/dbraw/zinc/50/31/87/359503187.db2.gz WMSSFJFMIWTDQP-UHFFFAOYSA-N 1 2 259.353 1.813 20 30 CDEDLO CN(Cc1[nH+]ccn1C)c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000127977610 359518384 /nfs/dbraw/zinc/51/83/84/359518384.db2.gz SMIYWBYPSOMAHF-UHFFFAOYSA-N 1 2 271.280 1.836 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1C(=O)OCC ZINC000050064633 359566847 /nfs/dbraw/zinc/56/68/47/359566847.db2.gz KRPFNEMALJJDPH-CYBMUJFWSA-N 1 2 280.368 1.215 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1C(=O)OCC ZINC000050064633 359566852 /nfs/dbraw/zinc/56/68/52/359566852.db2.gz KRPFNEMALJJDPH-CYBMUJFWSA-N 1 2 280.368 1.215 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nncn1C ZINC000275127328 359529929 /nfs/dbraw/zinc/52/99/29/359529929.db2.gz BFNKOJOSOLROPC-NWDGAFQWSA-N 1 2 277.372 1.055 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCCCCNc1cccc[nH+]1 ZINC000279513618 359588425 /nfs/dbraw/zinc/58/84/25/359588425.db2.gz UNONSXZRVLYZSP-OAHLLOKOSA-N 1 2 277.368 1.717 20 30 CDEDLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000340195093 359590214 /nfs/dbraw/zinc/59/02/14/359590214.db2.gz ZFACFSNTIHEOFC-UHFFFAOYSA-N 1 2 276.336 1.950 20 30 CDEDLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000340195093 359590217 /nfs/dbraw/zinc/59/02/17/359590217.db2.gz ZFACFSNTIHEOFC-UHFFFAOYSA-N 1 2 276.336 1.950 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNc1nccc(C#N)n1)CCC2 ZINC000571630417 359596450 /nfs/dbraw/zinc/59/64/50/359596450.db2.gz PRRCCLMGMUJOOB-NSHDSACASA-N 1 2 268.324 1.843 20 30 CDEDLO Cn1cc(C[NH2+]C2(c3cccc(C#N)c3)CC2)nn1 ZINC000341225883 366535495 /nfs/dbraw/zinc/53/54/95/366535495.db2.gz FLCBYZDZEAQWJX-UHFFFAOYSA-N 1 2 253.309 1.466 20 30 CDEDLO N#CCCC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000335497901 360269060 /nfs/dbraw/zinc/26/90/60/360269060.db2.gz WULQUGGXYPIVBK-AWEZNQCLSA-N 1 2 286.379 1.988 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000424661406 360333248 /nfs/dbraw/zinc/33/32/48/360333248.db2.gz FBZWEXZOCIAZIJ-UHFFFAOYSA-N 1 2 276.384 1.656 20 30 CDEDLO C[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000385864796 360444160 /nfs/dbraw/zinc/44/41/60/360444160.db2.gz IBSKMKXCBDSQEM-MWLCHTKSSA-N 1 2 279.365 1.261 20 30 CDEDLO C[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000385864796 360444166 /nfs/dbraw/zinc/44/41/66/360444166.db2.gz IBSKMKXCBDSQEM-MWLCHTKSSA-N 1 2 279.365 1.261 20 30 CDEDLO Cc1nn(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c(C)c1Cl ZINC000515851232 360537361 /nfs/dbraw/zinc/53/73/61/360537361.db2.gz AMRVLJYTNDTSKA-CYBMUJFWSA-N 1 2 297.790 1.113 20 30 CDEDLO Cc1cc(N(C)CCCc2[nH]nc(N)c2C#N)c(C#N)c[nH+]1 ZINC000572395005 360646777 /nfs/dbraw/zinc/64/67/77/360646777.db2.gz MCQFPIUSWBVKOZ-UHFFFAOYSA-N 1 2 295.350 1.338 20 30 CDEDLO CCOC(=O)C[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000178311800 189106251 /nfs/dbraw/zinc/10/62/51/189106251.db2.gz KLIJIBBQSRDUHZ-CYBMUJFWSA-N 1 2 262.309 1.087 20 30 CDEDLO CCOC(=O)C[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000178311800 189106252 /nfs/dbraw/zinc/10/62/52/189106252.db2.gz KLIJIBBQSRDUHZ-CYBMUJFWSA-N 1 2 262.309 1.087 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CCC[C@H]2C#N)CCO1 ZINC000426236319 360651474 /nfs/dbraw/zinc/65/14/74/360651474.db2.gz FOZXLJGSZUEPAI-MJBXVCDLSA-N 1 2 294.399 1.089 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CCC[C@H]2C#N)CCO1 ZINC000426236319 360651481 /nfs/dbraw/zinc/65/14/81/360651481.db2.gz FOZXLJGSZUEPAI-MJBXVCDLSA-N 1 2 294.399 1.089 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000299268865 200656844 /nfs/dbraw/zinc/65/68/44/200656844.db2.gz LYUWRAFDQUZNGM-HNNXBMFYSA-N 1 2 280.371 1.528 20 30 CDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NCCCNc1cccc[nH+]1 ZINC000449853129 361177438 /nfs/dbraw/zinc/17/74/38/361177438.db2.gz AUXUHEMGHZILHI-RISCZKNCSA-N 1 2 258.325 1.550 20 30 CDEDLO CC(C)[C@@H]1C[C@@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)CCO1 ZINC000566309908 370680547 /nfs/dbraw/zinc/68/05/47/370680547.db2.gz XKHRMNMVHKGEMK-OFQRWUPVSA-N 1 2 295.427 1.788 20 30 CDEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCc1ccncc1 ZINC000329353156 361488120 /nfs/dbraw/zinc/48/81/20/361488120.db2.gz FBOOJQGDOJGNJI-CYBMUJFWSA-N 1 2 263.341 1.301 20 30 CDEDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCc1ccncc1 ZINC000329353156 361488123 /nfs/dbraw/zinc/48/81/23/361488123.db2.gz FBOOJQGDOJGNJI-CYBMUJFWSA-N 1 2 263.341 1.301 20 30 CDEDLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000049091735 361453257 /nfs/dbraw/zinc/45/32/57/361453257.db2.gz ZQJPEYVFSNSBKU-UHFFFAOYSA-N 1 2 297.362 1.969 20 30 CDEDLO Cc1n[nH]c(C)c1NC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000049091735 361453263 /nfs/dbraw/zinc/45/32/63/361453263.db2.gz ZQJPEYVFSNSBKU-UHFFFAOYSA-N 1 2 297.362 1.969 20 30 CDEDLO N#Cc1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)nn1 ZINC000301918207 201263030 /nfs/dbraw/zinc/26/30/30/201263030.db2.gz DZGKNXDVTYYKHG-CYBMUJFWSA-N 1 2 267.292 1.401 20 30 CDEDLO O=C(NCC[C@H]1CCOC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329676900 361702586 /nfs/dbraw/zinc/70/25/86/361702586.db2.gz WJDQAMPBQJEJBK-LBPRGKRZSA-N 1 2 292.383 1.930 20 30 CDEDLO CC(C)[C@H](CNC(=O)C1(C#N)CC(C)C1)[NH+]1CCOCC1 ZINC000532319550 363923405 /nfs/dbraw/zinc/92/34/05/363923405.db2.gz AWIMGSLYIKUTGN-BBBYJDLNSA-N 1 2 293.411 1.399 20 30 CDEDLO C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)c(O)c2)c2[nH+]ccn21 ZINC000456415212 364350058 /nfs/dbraw/zinc/35/00/58/364350058.db2.gz JETJTFBJFFHUAY-SKDRFNHKSA-N 1 2 282.303 1.896 20 30 CDEDLO C[C@H]1CCN(c2nccnc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000268252013 364568029 /nfs/dbraw/zinc/56/80/29/364568029.db2.gz KDOVAXCTMCIFFE-WCQYABFASA-N 1 2 268.324 1.632 20 30 CDEDLO C=CCNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000053512360 364721000 /nfs/dbraw/zinc/72/10/00/364721000.db2.gz BRXRZVVKJUDANM-UHFFFAOYSA-N 1 2 289.379 1.579 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)NCCC(C)C)nn1 ZINC000640906337 364733910 /nfs/dbraw/zinc/73/39/10/364733910.db2.gz RJYBQFDSESHSGL-ZDUSSCGKSA-N 1 2 291.399 1.114 20 30 CDEDLO C=CC[N@@H+](CCOC)CC(=O)NCC(=O)c1ccccc1 ZINC000362047893 365039137 /nfs/dbraw/zinc/03/91/37/365039137.db2.gz NMCUEXYLIFOERM-UHFFFAOYSA-N 1 2 290.363 1.120 20 30 CDEDLO C=CC[N@H+](CCOC)CC(=O)NCC(=O)c1ccccc1 ZINC000362047893 365039138 /nfs/dbraw/zinc/03/91/38/365039138.db2.gz NMCUEXYLIFOERM-UHFFFAOYSA-N 1 2 290.363 1.120 20 30 CDEDLO N#Cc1ccc(CCC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000548311315 366888843 /nfs/dbraw/zinc/88/88/43/366888843.db2.gz DSBDJEIUKIISNO-HNNXBMFYSA-N 1 2 294.358 1.819 20 30 CDEDLO CCc1ccc(CO[NH+]=C(N)C(C)(C)NC(C)=O)cc1 ZINC000172240421 365499893 /nfs/dbraw/zinc/49/98/93/365499893.db2.gz OCOTXWGCXYROIQ-UHFFFAOYSA-N 1 2 277.368 1.953 20 30 CDEDLO COc1cc(C[N@@H+]2CCO[C@@H](CF)C2)ccc1C#N ZINC000414473899 241218303 /nfs/dbraw/zinc/21/83/03/241218303.db2.gz WPIDDSODMHRZDE-ZDUSSCGKSA-N 1 2 264.300 1.737 20 30 CDEDLO COc1cc(C[N@H+]2CCO[C@@H](CF)C2)ccc1C#N ZINC000414473899 241218307 /nfs/dbraw/zinc/21/83/07/241218307.db2.gz WPIDDSODMHRZDE-ZDUSSCGKSA-N 1 2 264.300 1.737 20 30 CDEDLO C[C@]1(F)CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000347389497 370850876 /nfs/dbraw/zinc/85/08/76/370850876.db2.gz RUIUBXQEKKNOOV-HNNXBMFYSA-N 1 2 275.327 1.608 20 30 CDEDLO C[C@]1(F)CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000347389497 370850881 /nfs/dbraw/zinc/85/08/81/370850881.db2.gz RUIUBXQEKKNOOV-HNNXBMFYSA-N 1 2 275.327 1.608 20 30 CDEDLO C[C@@H]1CCC[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000566976264 370852379 /nfs/dbraw/zinc/85/23/79/370852379.db2.gz KQMSNGIUWZIILZ-BZPMIXESSA-N 1 2 251.374 1.773 20 30 CDEDLO C=CCCOCCCCC(=O)N1CCn2c[nH+]cc2C1 ZINC000358173263 367489829 /nfs/dbraw/zinc/48/98/29/367489829.db2.gz VKGMOVKLTYCLFG-UHFFFAOYSA-N 1 2 277.368 1.988 20 30 CDEDLO C=CCNC(=O)C[N@@H+](CC=C)Cc1ccc(OC)cc1 ZINC000054271985 367779451 /nfs/dbraw/zinc/77/94/51/367779451.db2.gz AQWCXQOKLBZQPK-UHFFFAOYSA-N 1 2 274.364 1.985 20 30 CDEDLO C=CCNC(=O)C[N@H+](CC=C)Cc1ccc(OC)cc1 ZINC000054271985 367779460 /nfs/dbraw/zinc/77/94/60/367779460.db2.gz AQWCXQOKLBZQPK-UHFFFAOYSA-N 1 2 274.364 1.985 20 30 CDEDLO C=CCN1CC[C@H](N(C)c2cc[nH+]c(C(C)C)n2)C1=O ZINC000358684037 367872171 /nfs/dbraw/zinc/87/21/71/367872171.db2.gz QQEZNCGKGWNTAY-LBPRGKRZSA-N 1 2 274.368 1.823 20 30 CDEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)C[C@H]1CCCO1 ZINC000170688370 368514254 /nfs/dbraw/zinc/51/42/54/368514254.db2.gz WIPYRHKTDZPLPW-LLVKDONJSA-N 1 2 279.365 1.669 20 30 CDEDLO C[N@H+](CC(=O)Nc1sccc1C#N)C[C@H]1CCCO1 ZINC000170688370 368514260 /nfs/dbraw/zinc/51/42/60/368514260.db2.gz WIPYRHKTDZPLPW-LLVKDONJSA-N 1 2 279.365 1.669 20 30 CDEDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)o1 ZINC000543541801 368926312 /nfs/dbraw/zinc/92/63/12/368926312.db2.gz ROVAIUHEBFKJBI-PKFCDNJMSA-N 1 2 293.371 1.472 20 30 CDEDLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCC#N)o1 ZINC000131300298 369024197 /nfs/dbraw/zinc/02/41/97/369024197.db2.gz OUKNFMHFMBYXMA-LBPRGKRZSA-N 1 2 277.324 1.203 20 30 CDEDLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)NCC#N)o1 ZINC000131300298 369024203 /nfs/dbraw/zinc/02/42/03/369024203.db2.gz OUKNFMHFMBYXMA-LBPRGKRZSA-N 1 2 277.324 1.203 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)[C@H]2CC(=O)c3ccccc32)CC1 ZINC000276454625 193337422 /nfs/dbraw/zinc/33/74/22/193337422.db2.gz MVCNIIKYSNDIGY-INIZCTEOSA-N 1 2 296.370 1.524 20 30 CDEDLO CC[C@H](NC(=O)COc1ccccc1C#N)c1[nH]cc[nH+]1 ZINC000139664015 369675902 /nfs/dbraw/zinc/67/59/02/369675902.db2.gz BYKRDTCYCHKLPM-LBPRGKRZSA-N 1 2 284.319 1.928 20 30 CDEDLO COc1cc(C#N)ccc1CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000347234664 369899983 /nfs/dbraw/zinc/89/99/83/369899983.db2.gz MUWPNKDPGLNDCZ-ZBFHGGJFSA-N 1 2 287.363 1.082 20 30 CDEDLO COc1cc(C#N)ccc1CN1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000347234664 369899987 /nfs/dbraw/zinc/89/99/87/369899987.db2.gz MUWPNKDPGLNDCZ-ZBFHGGJFSA-N 1 2 287.363 1.082 20 30 CDEDLO C#CCCCNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000371043580 370163770 /nfs/dbraw/zinc/16/37/70/370163770.db2.gz NSXKEMJXGAVRJN-GFCCVEGCSA-N 1 2 260.341 1.332 20 30 CDEDLO CCn1cnnc1C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000230755626 370379758 /nfs/dbraw/zinc/37/97/58/370379758.db2.gz XHXOSRTUDZWKOM-UHFFFAOYSA-N 1 2 271.324 1.468 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000372000229 370444546 /nfs/dbraw/zinc/44/45/46/370444546.db2.gz UIJMHAPQVYJTLP-SNVBAGLBSA-N 1 2 284.747 1.454 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000372000229 370444552 /nfs/dbraw/zinc/44/45/52/370444552.db2.gz UIJMHAPQVYJTLP-SNVBAGLBSA-N 1 2 284.747 1.454 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000372001896 370444602 /nfs/dbraw/zinc/44/46/02/370444602.db2.gz AUXKKMGHXLBAEO-AWEZNQCLSA-N 1 2 295.427 1.211 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000372001896 370444605 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C=CCC[C@@H](O)C[N@@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000330592647 376286935 /nfs/dbraw/zinc/28/69/35/376286935.db2.gz ZXBGWWKDVROIFL-KGLIPLIRSA-N 1 2 279.384 1.727 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C[C@H](CC)O1 ZINC000420952222 376500073 /nfs/dbraw/zinc/50/00/73/376500073.db2.gz RVWZZLCCNANGPR-IJEWVQPXSA-N 1 2 295.427 1.930 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C[C@H](CC)O1 ZINC000420952222 376500078 /nfs/dbraw/zinc/50/00/78/376500078.db2.gz RVWZZLCCNANGPR-IJEWVQPXSA-N 1 2 295.427 1.930 20 30 CDEDLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCC#N ZINC000066695903 376671171 /nfs/dbraw/zinc/67/11/71/376671171.db2.gz ARAQYPGJKMCLGU-JTQLQIEISA-N 1 2 267.354 1.240 20 30 CDEDLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCC#N ZINC000066695903 376671183 /nfs/dbraw/zinc/67/11/83/376671183.db2.gz ARAQYPGJKMCLGU-JTQLQIEISA-N 1 2 267.354 1.240 20 30 CDEDLO N#Cc1cccc(C2(C(=O)NCc3c[nH+]c[nH]3)CC2)c1 ZINC000435590857 248175596 /nfs/dbraw/zinc/17/55/96/248175596.db2.gz ZTANHVPUYCEFIU-UHFFFAOYSA-N 1 2 266.304 1.629 20 30 CDEDLO N#Cc1cccc(C2(C(=O)NCc3c[nH]c[nH+]3)CC2)c1 ZINC000435590857 248175601 /nfs/dbraw/zinc/17/56/01/248175601.db2.gz ZTANHVPUYCEFIU-UHFFFAOYSA-N 1 2 266.304 1.629 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457316059 252485128 /nfs/dbraw/zinc/48/51/28/252485128.db2.gz PNLHCBHHQGLWDE-UHFFFAOYSA-N 1 2 289.364 1.965 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000248804191 377329164 /nfs/dbraw/zinc/32/91/64/377329164.db2.gz AXCYCTWZKDZRLW-CHWSQXEVSA-N 1 2 283.397 1.672 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000280486292 377956227 /nfs/dbraw/zinc/95/62/27/377956227.db2.gz BDHYYHIVWQHJCL-QWHCGFSZSA-N 1 2 278.356 1.164 20 30 CDEDLO C=CC[N@@H+](Cc1cc(C)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000092361549 377970090 /nfs/dbraw/zinc/97/00/90/377970090.db2.gz KENFQOKTEYAUBO-CQSZACIVSA-N 1 2 295.404 1.876 20 30 CDEDLO C=CC[N@H+](Cc1cc(C)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000092361549 377970099 /nfs/dbraw/zinc/97/00/99/377970099.db2.gz KENFQOKTEYAUBO-CQSZACIVSA-N 1 2 295.404 1.876 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2CC(=O)NCC2(C)C)c1 ZINC000282832284 378084815 /nfs/dbraw/zinc/08/48/15/378084815.db2.gz UWEWEAOKYKVECR-UHFFFAOYSA-N 1 2 274.364 1.962 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2CC(=O)NCC2(C)C)c1 ZINC000282832284 378084823 /nfs/dbraw/zinc/08/48/23/378084823.db2.gz UWEWEAOKYKVECR-UHFFFAOYSA-N 1 2 274.364 1.962 20 30 CDEDLO C=CCCCCCN(C)C(=O)C(=O)NCc1[nH+]ccn1C ZINC000286931362 378229558 /nfs/dbraw/zinc/22/95/58/378229558.db2.gz QQRCMLXIGVKNSI-UHFFFAOYSA-N 1 2 292.383 1.241 20 30 CDEDLO C#C[C@H](NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C)C(C)(C)C ZINC000291796297 378478035 /nfs/dbraw/zinc/47/80/35/378478035.db2.gz WQICURWFUKBJMW-QWHCGFSZSA-N 1 2 276.384 1.187 20 30 CDEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000293319621 378554925 /nfs/dbraw/zinc/55/49/25/378554925.db2.gz XNGWMUFAEXINPJ-GFCCVEGCSA-N 1 2 260.337 1.977 20 30 CDEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000293319621 378554930 /nfs/dbraw/zinc/55/49/30/378554930.db2.gz XNGWMUFAEXINPJ-GFCCVEGCSA-N 1 2 260.337 1.977 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000294320916 378630729 /nfs/dbraw/zinc/63/07/29/378630729.db2.gz HMOLCMUIWZIFBY-UHFFFAOYSA-N 1 2 273.380 1.938 20 30 CDEDLO C#CC[N@H+](C)CCCNC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000293987862 378608001 /nfs/dbraw/zinc/60/80/01/378608001.db2.gz NMNCXWDCAPTGQD-UHFFFAOYSA-N 1 2 298.745 1.870 20 30 CDEDLO C#CC[N@@H+](C)CCCNC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000293987862 378608007 /nfs/dbraw/zinc/60/80/07/378608007.db2.gz NMNCXWDCAPTGQD-UHFFFAOYSA-N 1 2 298.745 1.870 20 30 CDEDLO Cc1cc(C[NH2+]Cc2nnnn2CC2CC2)ccc1C#N ZINC000443997021 250070057 /nfs/dbraw/zinc/07/00/57/250070057.db2.gz WBYJSTYDEYCUHT-UHFFFAOYSA-N 1 2 282.351 1.553 20 30 CDEDLO N#Cc1ccc(C(=O)CNC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000492825135 253303780 /nfs/dbraw/zinc/30/37/80/253303780.db2.gz BNWQHFQGDGYYLH-WAYWQWQTSA-N 1 2 280.287 1.294 20 30 CDEDLO C#CC[N@H+](C)CCCS(=O)(=O)c1cccc(C)c1 ZINC000192231977 533109779 /nfs/dbraw/zinc/10/97/79/533109779.db2.gz ATYLRZYRVWUXEJ-UHFFFAOYSA-N 1 2 265.378 1.724 20 30 CDEDLO C#CC[N@@H+](C)CCCS(=O)(=O)c1cccc(C)c1 ZINC000192231977 533109782 /nfs/dbraw/zinc/10/97/82/533109782.db2.gz ATYLRZYRVWUXEJ-UHFFFAOYSA-N 1 2 265.378 1.724 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000192223221 533111550 /nfs/dbraw/zinc/11/15/50/533111550.db2.gz SZRGGIFKJVECCD-JTQLQIEISA-N 1 2 261.281 1.487 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000192223221 533111558 /nfs/dbraw/zinc/11/15/58/533111558.db2.gz SZRGGIFKJVECCD-JTQLQIEISA-N 1 2 261.281 1.487 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000347080188 533111828 /nfs/dbraw/zinc/11/18/28/533111828.db2.gz WKPKQRDGXXQPGU-ZDUSSCGKSA-N 1 2 282.347 1.362 20 30 CDEDLO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000329579072 285201029 /nfs/dbraw/zinc/20/10/29/285201029.db2.gz PGAJWTKGTSOZLN-TUAOUCFPSA-N 1 2 288.413 1.250 20 30 CDEDLO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000329579072 285201030 /nfs/dbraw/zinc/20/10/30/285201030.db2.gz PGAJWTKGTSOZLN-TUAOUCFPSA-N 1 2 288.413 1.250 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000288231508 197032138 /nfs/dbraw/zinc/03/21/38/197032138.db2.gz RPTFYTCSSQOFSF-BXUZGUMPSA-N 1 2 263.341 1.440 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OC)nc2)C1=O ZINC000281255575 195170353 /nfs/dbraw/zinc/17/03/53/195170353.db2.gz MWKYZMFFMRLBPY-CYBMUJFWSA-N 1 2 275.352 1.309 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(OC)nc2)C1=O ZINC000281255575 195170355 /nfs/dbraw/zinc/17/03/55/195170355.db2.gz MWKYZMFFMRLBPY-CYBMUJFWSA-N 1 2 275.352 1.309 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](CCC)C(=O)OCC)C1=O ZINC000281439146 195241049 /nfs/dbraw/zinc/24/10/49/195241049.db2.gz TUXDTEJLPODKIC-CHWSQXEVSA-N 1 2 282.384 1.437 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](CCC)C(=O)OCC)C1=O ZINC000281439146 195241051 /nfs/dbraw/zinc/24/10/51/195241051.db2.gz TUXDTEJLPODKIC-CHWSQXEVSA-N 1 2 282.384 1.437 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2c(C)onc2CC)C1=O ZINC000281414457 195232838 /nfs/dbraw/zinc/23/28/38/195232838.db2.gz RIKFDFJGBPDSDD-CQSZACIVSA-N 1 2 277.368 1.764 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2c(C)onc2CC)C1=O ZINC000281414457 195232840 /nfs/dbraw/zinc/23/28/40/195232840.db2.gz RIKFDFJGBPDSDD-CQSZACIVSA-N 1 2 277.368 1.764 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)c2cnccn2)C1=O ZINC000281462388 195249555 /nfs/dbraw/zinc/24/95/55/195249555.db2.gz VICVBMJIMXCPRO-DGCLKSJQSA-N 1 2 260.341 1.256 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)c2cnccn2)C1=O ZINC000281462388 195249558 /nfs/dbraw/zinc/24/95/58/195249558.db2.gz VICVBMJIMXCPRO-DGCLKSJQSA-N 1 2 260.341 1.256 20 30 CDEDLO CC(C)[C@@H](NC(=O)c1ccc(C#N)n1C)c1[nH]cc[nH+]1 ZINC000451102465 390597027 /nfs/dbraw/zinc/59/70/27/390597027.db2.gz JOXBFLWIKNIQRN-GFCCVEGCSA-N 1 2 271.324 1.747 20 30 CDEDLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000451947051 390951837 /nfs/dbraw/zinc/95/18/37/390951837.db2.gz NVNHNDRERIRULE-ZIAGYGMSSA-N 1 2 264.300 1.591 20 30 CDEDLO C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000123493629 390910351 /nfs/dbraw/zinc/91/03/51/390910351.db2.gz WLPBDNJDIOTYKD-ZDUSSCGKSA-N 1 2 286.379 1.357 20 30 CDEDLO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000123493629 390910352 /nfs/dbraw/zinc/91/03/52/390910352.db2.gz WLPBDNJDIOTYKD-ZDUSSCGKSA-N 1 2 286.379 1.357 20 30 CDEDLO O=C(NC[C@H]1CCCCS1)N1CCn2c[nH+]cc2C1 ZINC000329611086 391031449 /nfs/dbraw/zinc/03/14/49/391031449.db2.gz DDURGFCSWCSUSW-GFCCVEGCSA-N 1 2 280.397 1.898 20 30 CDEDLO [O-]C(=[NH+]C[C@H]1CCCCS1)N1CCn2c[nH+]cc2C1 ZINC000329611086 391031453 /nfs/dbraw/zinc/03/14/53/391031453.db2.gz DDURGFCSWCSUSW-GFCCVEGCSA-N 1 2 280.397 1.898 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cccnc1C1CC1 ZINC000329579954 391019956 /nfs/dbraw/zinc/01/99/56/391019956.db2.gz ULGBSVNAYYHJOS-GFCCVEGCSA-N 1 2 289.379 1.984 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cccnc1C1CC1 ZINC000329579954 391019961 /nfs/dbraw/zinc/01/99/61/391019961.db2.gz ULGBSVNAYYHJOS-GFCCVEGCSA-N 1 2 289.379 1.984 20 30 CDEDLO CCc1onc(C)c1[NH+]=C([O-])N1CCn2c[nH+]cc2C1 ZINC000329443228 390989265 /nfs/dbraw/zinc/98/92/65/390989265.db2.gz BVCGEDUCKPBBSB-UHFFFAOYSA-N 1 2 275.312 1.803 20 30 CDEDLO O=C(N[C@H]1CNC(=O)C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329475118 390994299 /nfs/dbraw/zinc/99/42/99/390994299.db2.gz BBOKHDJUGUKVPM-PWSUYJOCSA-N 1 2 281.356 1.315 20 30 CDEDLO O=C(N[C@H]1CNC(=O)C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329475118 390994301 /nfs/dbraw/zinc/99/43/01/390994301.db2.gz BBOKHDJUGUKVPM-PWSUYJOCSA-N 1 2 281.356 1.315 20 30 CDEDLO Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1CN(C)CCO1)C2 ZINC000329512016 391001587 /nfs/dbraw/zinc/00/15/87/391001587.db2.gz KWLSAOJAUCJASJ-JSGCOSHPSA-N 1 2 292.383 1.041 20 30 CDEDLO CCc1nc2n(n1)CCC[C@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC000329547924 391011513 /nfs/dbraw/zinc/01/15/13/391011513.db2.gz OTIHCGRCXBXNHX-SNVBAGLBSA-N 1 2 288.355 1.988 20 30 CDEDLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000185123978 391038567 /nfs/dbraw/zinc/03/85/67/391038567.db2.gz AKBFWVWAXMPPLX-ODXCJYRJSA-N 1 2 299.440 1.028 20 30 CDEDLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000185123978 391038570 /nfs/dbraw/zinc/03/85/70/391038570.db2.gz AKBFWVWAXMPPLX-ODXCJYRJSA-N 1 2 299.440 1.028 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+](C)Cc1nc([C@H](C)OCC)no1 ZINC000351269203 391060564 /nfs/dbraw/zinc/06/05/64/391060564.db2.gz LMEINCZGTYXAHJ-RYUDHWBXSA-N 1 2 283.372 1.926 20 30 CDEDLO C=CCC[C@H](O)C[N@H+](C)Cc1nc([C@H](C)OCC)no1 ZINC000351269203 391060567 /nfs/dbraw/zinc/06/05/67/391060567.db2.gz LMEINCZGTYXAHJ-RYUDHWBXSA-N 1 2 283.372 1.926 20 30 CDEDLO C=CCCCCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000351742394 391088676 /nfs/dbraw/zinc/08/86/76/391088676.db2.gz UTAMFPGTBZSTCT-CYBMUJFWSA-N 1 2 269.389 1.363 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cc(C(=O)OC)c(CC)o1 ZINC000491407662 391113664 /nfs/dbraw/zinc/11/36/64/391113664.db2.gz RZATUEPDRRXZGF-UHFFFAOYSA-N 1 2 259.305 1.697 20 30 CDEDLO CCCCNC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352464473 391148368 /nfs/dbraw/zinc/14/83/68/391148368.db2.gz ULNYJNSQZYDWLU-NSHDSACASA-N 1 2 255.337 1.619 20 30 CDEDLO C#C[C@@H](C)NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000373473203 391120715 /nfs/dbraw/zinc/12/07/15/391120715.db2.gz FVKHWMNWSPXPFA-OLZOCXBDSA-N 1 2 257.337 1.436 20 30 CDEDLO COC[C@](C)(C#N)NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000269607413 391252989 /nfs/dbraw/zinc/25/29/89/391252989.db2.gz QJCBRQFBCDEJQU-HNNXBMFYSA-N 1 2 286.335 1.390 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000339751569 391345209 /nfs/dbraw/zinc/34/52/09/391345209.db2.gz GJVKEMWJMHCGSC-UHFFFAOYSA-N 1 2 296.273 1.902 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000339751569 391345211 /nfs/dbraw/zinc/34/52/11/391345211.db2.gz GJVKEMWJMHCGSC-UHFFFAOYSA-N 1 2 296.273 1.902 20 30 CDEDLO CC(C)[C@H](C#N)NC(=O)[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000346402436 391351253 /nfs/dbraw/zinc/35/12/53/391351253.db2.gz OKQBOMJLEPSNHF-IHRRRGAJSA-N 1 2 286.379 1.818 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000346430782 391354437 /nfs/dbraw/zinc/35/44/37/391354437.db2.gz ZKGPPQLBMVRGEK-IHRRRGAJSA-N 1 2 289.379 1.717 20 30 CDEDLO C=CCC(C)(C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000339770514 391360497 /nfs/dbraw/zinc/36/04/97/391360497.db2.gz WEDHYBDYQQQUAF-UHFFFAOYSA-N 1 2 254.374 1.379 20 30 CDEDLO Cc1c(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)nnn1C(C)C ZINC000328916494 391393042 /nfs/dbraw/zinc/39/30/42/391393042.db2.gz KFJBZNWIHVABOC-SNVBAGLBSA-N 1 2 288.355 1.753 20 30 CDEDLO Cc1c(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)nnn1C(C)C ZINC000328916494 391393048 /nfs/dbraw/zinc/39/30/48/391393048.db2.gz KFJBZNWIHVABOC-SNVBAGLBSA-N 1 2 288.355 1.753 20 30 CDEDLO CC[C@@H](C(=O)N(CC)CC#N)[N@@H+]1CCO[C@@H](CC)C1 ZINC000330463472 391426062 /nfs/dbraw/zinc/42/60/62/391426062.db2.gz UUYONZLDRUERLJ-STQMWFEESA-N 1 2 267.373 1.248 20 30 CDEDLO CC[C@@H](C(=O)N(CC)CC#N)[N@H+]1CCO[C@@H](CC)C1 ZINC000330463472 391426064 /nfs/dbraw/zinc/42/60/64/391426064.db2.gz UUYONZLDRUERLJ-STQMWFEESA-N 1 2 267.373 1.248 20 30 CDEDLO CCN(CCC#N)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411390651 391444112 /nfs/dbraw/zinc/44/41/12/391444112.db2.gz NSSBUROHQBFPRD-UHFFFAOYSA-N 1 2 288.351 1.708 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)Cc1[nH+]ccn1C ZINC000330598816 391452375 /nfs/dbraw/zinc/45/23/75/391452375.db2.gz WRDDMEWTJQPLRC-DOMZBBRYSA-N 1 2 291.399 1.295 20 30 CDEDLO N#CCCCNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000355596337 391459130 /nfs/dbraw/zinc/45/91/30/391459130.db2.gz YPTNMRUPKJXLCY-UHFFFAOYSA-N 1 2 282.347 1.894 20 30 CDEDLO C=CCCC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000102324951 391522985 /nfs/dbraw/zinc/52/29/85/391522985.db2.gz WEZCLJSTAOBSAL-UHFFFAOYSA-N 1 2 298.390 1.945 20 30 CDEDLO C=CC[N@@H+](C)CCN(CC)C[C@@H]1CCCS(=O)(=O)C1 ZINC000411644661 391500941 /nfs/dbraw/zinc/50/09/41/391500941.db2.gz JVWIJLNUMJSATL-AWEZNQCLSA-N 1 2 288.457 1.251 20 30 CDEDLO C=CC[N@H+](C)CCN(CC)C[C@@H]1CCCS(=O)(=O)C1 ZINC000411644661 391500943 /nfs/dbraw/zinc/50/09/43/391500943.db2.gz JVWIJLNUMJSATL-AWEZNQCLSA-N 1 2 288.457 1.251 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000286093026 391577890 /nfs/dbraw/zinc/57/78/90/391577890.db2.gz KQXLRXIGYVRNGM-UHFFFAOYSA-N 1 2 269.348 1.777 20 30 CDEDLO C#CC(C)(C)[N@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000286093026 391577894 /nfs/dbraw/zinc/57/78/94/391577894.db2.gz KQXLRXIGYVRNGM-UHFFFAOYSA-N 1 2 269.348 1.777 20 30 CDEDLO C=CCCC1(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000362226042 391715782 /nfs/dbraw/zinc/71/57/82/391715782.db2.gz YTOBMYOQNIDKMK-CQSZACIVSA-N 1 2 280.412 1.912 20 30 CDEDLO C#CC[N@@H+](CC(=O)NC[C@H]1CCCO1)Cc1ccccc1 ZINC000285879463 391718411 /nfs/dbraw/zinc/71/84/11/391718411.db2.gz YPDGJSVOYOPARV-MRXNPFEDSA-N 1 2 286.375 1.417 20 30 CDEDLO C#CC[N@H+](CC(=O)NC[C@H]1CCCO1)Cc1ccccc1 ZINC000285879463 391718413 /nfs/dbraw/zinc/71/84/13/391718413.db2.gz YPDGJSVOYOPARV-MRXNPFEDSA-N 1 2 286.375 1.417 20 30 CDEDLO C=C[C@@H](C)NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000362380586 391722538 /nfs/dbraw/zinc/72/25/38/391722538.db2.gz QZNWIPJZCIGUNW-LLVKDONJSA-N 1 2 258.325 1.751 20 30 CDEDLO C[C@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)[C@@H]1CO ZINC000189718239 130014755 /nfs/dbraw/zinc/01/47/55/130014755.db2.gz QMBBCOGYZSGPMH-GXSJLCMTSA-N 1 2 279.365 1.261 20 30 CDEDLO C[C@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)[C@@H]1CO ZINC000189718239 130014756 /nfs/dbraw/zinc/01/47/56/130014756.db2.gz QMBBCOGYZSGPMH-GXSJLCMTSA-N 1 2 279.365 1.261 20 30 CDEDLO COC1(C)CN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000329763589 391775126 /nfs/dbraw/zinc/77/51/26/391775126.db2.gz UTHUPNYJGWWQBH-LLVKDONJSA-N 1 2 278.356 1.395 20 30 CDEDLO Cc1csc(NC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)n1 ZINC000329952638 391805165 /nfs/dbraw/zinc/80/51/65/391805165.db2.gz IXVVGMMUYYFUMH-MNOVXSKESA-N 1 2 296.396 1.054 20 30 CDEDLO Cc1csc(NC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)n1 ZINC000329952638 391805168 /nfs/dbraw/zinc/80/51/68/391805168.db2.gz IXVVGMMUYYFUMH-MNOVXSKESA-N 1 2 296.396 1.054 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@@]2(CCOC2)O1 ZINC000330148274 391812485 /nfs/dbraw/zinc/81/24/85/391812485.db2.gz JFWDYFHGFDWKKE-IUODEOHRSA-N 1 2 298.383 1.002 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@@]2(CCOC2)O1 ZINC000330148274 391812491 /nfs/dbraw/zinc/81/24/91/391812491.db2.gz JFWDYFHGFDWKKE-IUODEOHRSA-N 1 2 298.383 1.002 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000372600676 391858093 /nfs/dbraw/zinc/85/80/93/391858093.db2.gz NUEHATKPJJBCEG-NSHDSACASA-N 1 2 287.201 1.886 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000372600676 391858096 /nfs/dbraw/zinc/85/80/96/391858096.db2.gz NUEHATKPJJBCEG-NSHDSACASA-N 1 2 287.201 1.886 20 30 CDEDLO C[C@H](CNc1nc2c(cc1C#N)CCC2)[NH+]1CCN(C)CC1 ZINC000263910242 131358550 /nfs/dbraw/zinc/35/85/50/131358550.db2.gz KWWISKBJVPEINC-CYBMUJFWSA-N 1 2 299.422 1.490 20 30 CDEDLO COc1c(C)c[nH+]c(COc2cnc(C#N)nc2)c1C ZINC000548612083 392495677 /nfs/dbraw/zinc/49/56/77/392495677.db2.gz FTOIAZLSAWJUAU-UHFFFAOYSA-N 1 2 270.292 1.948 20 30 CDEDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000361600388 392761253 /nfs/dbraw/zinc/76/12/53/392761253.db2.gz CGJODGSGEPTFFG-AWEZNQCLSA-N 1 2 274.368 1.339 20 30 CDEDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000361600388 392761255 /nfs/dbraw/zinc/76/12/55/392761255.db2.gz CGJODGSGEPTFFG-AWEZNQCLSA-N 1 2 274.368 1.339 20 30 CDEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)c1ncc(C#N)cc1F ZINC000413276314 392831681 /nfs/dbraw/zinc/83/16/81/392831681.db2.gz YUHQNIDQGPDAQN-UHFFFAOYSA-N 1 2 292.358 1.639 20 30 CDEDLO CN(CC[N@H+]1CCOC(C)(C)C1)c1ncc(C#N)cc1F ZINC000413276314 392831684 /nfs/dbraw/zinc/83/16/84/392831684.db2.gz YUHQNIDQGPDAQN-UHFFFAOYSA-N 1 2 292.358 1.639 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000268647995 132041908 /nfs/dbraw/zinc/04/19/08/132041908.db2.gz FWVDNUSPJHUJBU-ZFWWWQNUSA-N 1 2 292.310 1.179 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000268647995 132041910 /nfs/dbraw/zinc/04/19/10/132041910.db2.gz FWVDNUSPJHUJBU-ZFWWWQNUSA-N 1 2 292.310 1.179 20 30 CDEDLO Cc1cc(N[C@H](C)CN2CCCC2=O)c(C#N)c[nH+]1 ZINC000425205524 392994101 /nfs/dbraw/zinc/99/41/01/392994101.db2.gz BNBMOGBBJPHJSM-LLVKDONJSA-N 1 2 258.325 1.106 20 30 CDEDLO CCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425227592 392997256 /nfs/dbraw/zinc/99/72/56/392997256.db2.gz RQSJGDXKRFJQTL-CYBMUJFWSA-N 1 2 272.352 1.757 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)ccc1F ZINC000494085579 393225838 /nfs/dbraw/zinc/22/58/38/393225838.db2.gz KJWXFVPYKVIILQ-CYBMUJFWSA-N 1 2 289.310 1.724 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCN3C(=O)OCC[C@@H]3C2)ccc1F ZINC000494085579 393225847 /nfs/dbraw/zinc/22/58/47/393225847.db2.gz KJWXFVPYKVIILQ-CYBMUJFWSA-N 1 2 289.310 1.724 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)c1 ZINC000494135125 393227479 /nfs/dbraw/zinc/22/74/79/393227479.db2.gz RXHXJFATRDIWHH-AWEZNQCLSA-N 1 2 271.320 1.585 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)c1 ZINC000494135125 393227487 /nfs/dbraw/zinc/22/74/87/393227487.db2.gz RXHXJFATRDIWHH-AWEZNQCLSA-N 1 2 271.320 1.585 20 30 CDEDLO C[C@]1(O)CCC[N@H+](CC(=O)Nc2sccc2C#N)CC1 ZINC000230377080 140212059 /nfs/dbraw/zinc/21/20/59/140212059.db2.gz VEGNEEWIYOVRPV-AWEZNQCLSA-N 1 2 293.392 1.795 20 30 CDEDLO C[C@]1(O)CCC[N@@H+](CC(=O)Nc2sccc2C#N)CC1 ZINC000230377080 140212060 /nfs/dbraw/zinc/21/20/60/140212060.db2.gz VEGNEEWIYOVRPV-AWEZNQCLSA-N 1 2 293.392 1.795 20 30 CDEDLO CC(C)(C)n1cc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)nn1 ZINC000329705963 397654645 /nfs/dbraw/zinc/65/46/45/397654645.db2.gz JRIDEGWACWHRAR-SECBINFHSA-N 1 2 288.355 1.618 20 30 CDEDLO CC(C)(C)n1cc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)nn1 ZINC000329705963 397654649 /nfs/dbraw/zinc/65/46/49/397654649.db2.gz JRIDEGWACWHRAR-SECBINFHSA-N 1 2 288.355 1.618 20 30 CDEDLO CN(CC[NH+]1CCOCC1)Cc1cc(C#N)ccc1F ZINC000104194647 147187985 /nfs/dbraw/zinc/18/79/85/147187985.db2.gz CKZFSBIYGAOYHX-UHFFFAOYSA-N 1 2 277.343 1.461 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000120801584 147347006 /nfs/dbraw/zinc/34/70/06/147347006.db2.gz AIRPZJFGWGGDNS-JTQLQIEISA-N 1 2 284.356 1.562 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000120801584 147347007 /nfs/dbraw/zinc/34/70/07/147347007.db2.gz AIRPZJFGWGGDNS-JTQLQIEISA-N 1 2 284.356 1.562 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2CCCC2(F)F)nn1 ZINC000656463256 413298914 /nfs/dbraw/zinc/29/89/14/413298914.db2.gz LWBHVHIUYGCMTC-NSHDSACASA-N 1 2 268.311 1.826 20 30 CDEDLO CN1CCO[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@@H]21 ZINC000353742720 156055802 /nfs/dbraw/zinc/05/58/02/156055802.db2.gz AYUBUNOKKRGZTJ-GJZGRUSLSA-N 1 2 257.337 1.073 20 30 CDEDLO CN1CCO[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@@H]21 ZINC000353742720 156055804 /nfs/dbraw/zinc/05/58/04/156055804.db2.gz AYUBUNOKKRGZTJ-GJZGRUSLSA-N 1 2 257.337 1.073 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3ccccc3C#N)C[C@@H]21 ZINC000353742720 156055806 /nfs/dbraw/zinc/05/58/06/156055806.db2.gz AYUBUNOKKRGZTJ-GJZGRUSLSA-N 1 2 257.337 1.073 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3ccccc3C#N)C[C@@H]21 ZINC000353742720 156055808 /nfs/dbraw/zinc/05/58/08/156055808.db2.gz AYUBUNOKKRGZTJ-GJZGRUSLSA-N 1 2 257.337 1.073 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c(F)c1 ZINC000375583256 160393976 /nfs/dbraw/zinc/39/39/76/160393976.db2.gz NFYMIBKTVANVNN-OAHLLOKOSA-N 1 2 289.310 1.772 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)c(F)c1 ZINC000375583256 160393977 /nfs/dbraw/zinc/39/39/77/160393977.db2.gz NFYMIBKTVANVNN-OAHLLOKOSA-N 1 2 289.310 1.772 20 30 CDEDLO Cn1cc[nH+]c1CNc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000359799189 158382230 /nfs/dbraw/zinc/38/22/30/158382230.db2.gz TWRBPXAOMORQGO-UHFFFAOYSA-N 1 2 296.309 1.651 20 30 CDEDLO COc1cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)ccc1C#N ZINC000374233168 160266630 /nfs/dbraw/zinc/26/66/30/160266630.db2.gz YVJYPSSICWNAEX-MRXNPFEDSA-N 1 2 288.347 1.558 20 30 CDEDLO COc1cc(C[N@H+]2CCO[C@]3(CCOC3)C2)ccc1C#N ZINC000374233168 160266632 /nfs/dbraw/zinc/26/66/32/160266632.db2.gz YVJYPSSICWNAEX-MRXNPFEDSA-N 1 2 288.347 1.558 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCOc2ccc(C)cc2C1 ZINC000285715987 196375875 /nfs/dbraw/zinc/37/58/75/196375875.db2.gz WRJOJLYAZVUTGH-UHFFFAOYSA-N 1 2 260.337 1.492 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCOc2ccc(C)cc2C1 ZINC000285715987 196375877 /nfs/dbraw/zinc/37/58/77/196375877.db2.gz WRJOJLYAZVUTGH-UHFFFAOYSA-N 1 2 260.337 1.492 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2ccnn2CC)nn1 ZINC000663349126 414172835 /nfs/dbraw/zinc/17/28/35/414172835.db2.gz FPPRVWGAYHEZAU-UHFFFAOYSA-N 1 2 260.345 1.360 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@H](C)C(=O)NC(C)(C)C)nn1 ZINC000657335501 414191955 /nfs/dbraw/zinc/19/19/55/414191955.db2.gz KPCAHEDTXGNURC-LLVKDONJSA-N 1 2 279.388 1.247 20 30 CDEDLO N#CC1(C[NH+]2CCN(c3ccc(F)cn3)CC2)CC1 ZINC000343585181 224804641 /nfs/dbraw/zinc/80/46/41/224804641.db2.gz WIBIQVBBUALWAN-UHFFFAOYSA-N 1 2 260.316 1.646 20 30 CDEDLO O=C(NCC[C@H]1CCCCO1)N1CCn2cc[nH+]c2C1 ZINC000329269656 227396657 /nfs/dbraw/zinc/39/66/57/227396657.db2.gz FFPRADWFSZYAGY-GFCCVEGCSA-N 1 2 278.356 1.572 20 30 CDEDLO Cc1nc(C[N@H+]2CCCN(C(=O)[C@H](C)C#N)CC2)cs1 ZINC000331701331 228119439 /nfs/dbraw/zinc/11/94/39/228119439.db2.gz ZQGFKQMALYQVTN-LLVKDONJSA-N 1 2 292.408 1.646 20 30 CDEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)[C@H](C)C#N)CC2)cs1 ZINC000331701331 228119441 /nfs/dbraw/zinc/11/94/41/228119441.db2.gz ZQGFKQMALYQVTN-LLVKDONJSA-N 1 2 292.408 1.646 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CCc1ccncn1 ZINC000330232717 228074426 /nfs/dbraw/zinc/07/44/26/228074426.db2.gz RSYQGVZLLFJCTF-LBPRGKRZSA-N 1 2 278.356 1.086 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)CCc1ccncn1 ZINC000330232717 228074427 /nfs/dbraw/zinc/07/44/27/228074427.db2.gz RSYQGVZLLFJCTF-LBPRGKRZSA-N 1 2 278.356 1.086 20 30 CDEDLO O=C(CN1CCCCC1=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330337274 228156119 /nfs/dbraw/zinc/15/61/19/228156119.db2.gz ZUTIHEYWBNOOQC-LLVKDONJSA-N 1 2 276.340 1.167 20 30 CDEDLO N#C[C@@H]1CCC[C@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000336030602 228179683 /nfs/dbraw/zinc/17/96/83/228179683.db2.gz LARJRGIPMNZCBP-WDEREUQCSA-N 1 2 259.313 1.101 20 30 CDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000336232536 228218487 /nfs/dbraw/zinc/21/84/87/228218487.db2.gz NXFLFZNFBLDVNB-PBHICJAKSA-N 1 2 283.375 1.881 20 30 CDEDLO CCCCNC(=O)CO[NH+]=C(N)c1ccc(C)c(F)c1 ZINC000048610753 260201537 /nfs/dbraw/zinc/20/15/37/260201537.db2.gz FWDIBDQVABXDDJ-UHFFFAOYSA-N 1 2 281.331 1.687 20 30 CDEDLO COc1cccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1OC ZINC000516870402 260207571 /nfs/dbraw/zinc/20/75/71/260207571.db2.gz AMSQJMIRGALQKZ-HNNXBMFYSA-N 1 2 291.351 1.277 20 30 CDEDLO CC(C)[N@H+](CCC(=O)N(C)CCC#N)CC(F)F ZINC000092802071 260271935 /nfs/dbraw/zinc/27/19/35/260271935.db2.gz ZHFYQQKXUKANJN-UHFFFAOYSA-N 1 2 261.316 1.724 20 30 CDEDLO CC(C)[N@@H+](CCC(=O)N(C)CCC#N)CC(F)F ZINC000092802071 260271936 /nfs/dbraw/zinc/27/19/36/260271936.db2.gz ZHFYQQKXUKANJN-UHFFFAOYSA-N 1 2 261.316 1.724 20 30 CDEDLO N#CCCN(CCc1ccncc1)CC[NH+]1CCOCC1 ZINC000081158196 260331332 /nfs/dbraw/zinc/33/13/32/260331332.db2.gz GSSZSNIFDINDAC-UHFFFAOYSA-N 1 2 288.395 1.172 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2c(F)cccc2C1 ZINC000152823638 261070001 /nfs/dbraw/zinc/07/00/01/261070001.db2.gz MOMNJFCFNGKPID-GFCCVEGCSA-N 1 2 289.354 1.944 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCc2c(F)cccc2C1 ZINC000152823638 261070002 /nfs/dbraw/zinc/07/00/02/261070002.db2.gz MOMNJFCFNGKPID-GFCCVEGCSA-N 1 2 289.354 1.944 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000249720504 261259495 /nfs/dbraw/zinc/25/94/95/261259495.db2.gz LZNZOPDLWOPZKL-UPJWGTAASA-N 1 2 267.373 1.104 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000249720504 261259498 /nfs/dbraw/zinc/25/94/98/261259498.db2.gz LZNZOPDLWOPZKL-UPJWGTAASA-N 1 2 267.373 1.104 20 30 CDEDLO N#CCCN(CC1CC1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364386430 262223773 /nfs/dbraw/zinc/22/37/73/262223773.db2.gz DGUMROBHNBSYOX-ZDUSSCGKSA-N 1 2 272.352 1.598 20 30 CDEDLO Cc1nc(CC(N)=[NH+]OCc2cccnc2)cs1 ZINC000193583268 262224361 /nfs/dbraw/zinc/22/43/61/262224361.db2.gz UUCLOAVKCPHOOD-UHFFFAOYSA-N 1 2 262.338 1.878 20 30 CDEDLO COc1coc(C[NH+]2CCC(C)(C#N)CC2)cc1=O ZINC000272595311 263007448 /nfs/dbraw/zinc/00/74/48/263007448.db2.gz QCZBHSKWZRXNGF-UHFFFAOYSA-N 1 2 262.309 1.774 20 30 CDEDLO CC[N@H+](CCC#N)Cc1ccc(N(C)CCOC)nc1 ZINC000276791443 263038178 /nfs/dbraw/zinc/03/81/78/263038178.db2.gz SUADBKRJCBNWJQ-UHFFFAOYSA-N 1 2 276.384 1.900 20 30 CDEDLO CC[N@@H+](CCC#N)Cc1ccc(N(C)CCOC)nc1 ZINC000276791443 263038179 /nfs/dbraw/zinc/03/81/79/263038179.db2.gz SUADBKRJCBNWJQ-UHFFFAOYSA-N 1 2 276.384 1.900 20 30 CDEDLO CC(=O)N1CCC[C@H](C/[NH+]=C/c2cccc(O)c2O)C1 ZINC000281197570 263067013 /nfs/dbraw/zinc/06/70/13/263067013.db2.gz RTWBPUAGQFVVJN-GFQQVXNGSA-N 1 2 276.336 1.775 20 30 CDEDLO CN(C)C(=O)c1cccc(CO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000283755283 263084064 /nfs/dbraw/zinc/08/40/64/263084064.db2.gz AGPZTTJKGJQLAE-ZDUSSCGKSA-N 1 2 291.351 1.356 20 30 CDEDLO NC(=[NH+]OCCOc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000284383427 263086574 /nfs/dbraw/zinc/08/65/74/263086574.db2.gz MDMZVSUEAWUVMM-GFCCVEGCSA-N 1 2 295.295 1.441 20 30 CDEDLO CN(CCC#N)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000298641871 263223672 /nfs/dbraw/zinc/22/36/72/263223672.db2.gz BMDTZYMWTDDKSQ-UHFFFAOYSA-N 1 2 268.320 1.917 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000120459367 263283997 /nfs/dbraw/zinc/28/39/97/263283997.db2.gz KBPUIRVXEZUSNX-GXTWGEPZSA-N 1 2 289.383 1.397 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000120459367 263283999 /nfs/dbraw/zinc/28/39/99/263283999.db2.gz KBPUIRVXEZUSNX-GXTWGEPZSA-N 1 2 289.383 1.397 20 30 CDEDLO CC#CC[NH2+][C@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000120805252 263288655 /nfs/dbraw/zinc/28/86/55/263288655.db2.gz SHEQNRNBWTVVIJ-VIFPVBQESA-N 1 2 260.301 1.165 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000341476818 263341321 /nfs/dbraw/zinc/34/13/21/263341321.db2.gz BRFVLBCJJRWGGJ-NSHDSACASA-N 1 2 278.308 1.000 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000341476818 263341322 /nfs/dbraw/zinc/34/13/22/263341322.db2.gz BRFVLBCJJRWGGJ-NSHDSACASA-N 1 2 278.308 1.000 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)C[C@H]1CCCS(=O)(=O)C1 ZINC000341874554 263361530 /nfs/dbraw/zinc/36/15/30/263361530.db2.gz JQUPFKOHOPOFJM-NWDGAFQWSA-N 1 2 258.387 1.293 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)C[C@H]1CCCS(=O)(=O)C1 ZINC000341874554 263361532 /nfs/dbraw/zinc/36/15/32/263361532.db2.gz JQUPFKOHOPOFJM-NWDGAFQWSA-N 1 2 258.387 1.293 20 30 CDEDLO C[C@@H]1OCC[C@@]1(C)NC(=O)CCc1c[nH+]cn1C ZINC000328841319 263878022 /nfs/dbraw/zinc/87/80/22/263878022.db2.gz ORDYLLISVPBHSK-GXFFZTMASA-N 1 2 251.330 1.877 20 30 CDEDLO Cc1nscc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330784478 264052710 /nfs/dbraw/zinc/05/27/10/264052710.db2.gz KBIGPHDTCMUQBP-VIFPVBQESA-N 1 2 269.370 1.477 20 30 CDEDLO Cc1nscc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330784478 264052714 /nfs/dbraw/zinc/05/27/14/264052714.db2.gz KBIGPHDTCMUQBP-VIFPVBQESA-N 1 2 269.370 1.477 20 30 CDEDLO CC1(C)C[N@H+](CCNC(=O)c2c(O)cccc2F)CCO1 ZINC000331230921 264151894 /nfs/dbraw/zinc/15/18/94/264151894.db2.gz IARTZDIHZTVNLN-UHFFFAOYSA-N 1 2 296.342 1.947 20 30 CDEDLO CC1(C)C[N@@H+](CCNC(=O)c2c(O)cccc2F)CCO1 ZINC000331230921 264151896 /nfs/dbraw/zinc/15/18/96/264151896.db2.gz IARTZDIHZTVNLN-UHFFFAOYSA-N 1 2 296.342 1.947 20 30 CDEDLO COCC1(C#N)CCN(Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425377418 264216716 /nfs/dbraw/zinc/21/67/16/264216716.db2.gz GXSZKHSFJMEGAP-UHFFFAOYSA-N 1 2 291.399 1.238 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2cnc(N(C)C)n2C)CC1 ZINC000425377418 264216717 /nfs/dbraw/zinc/21/67/17/264216717.db2.gz GXSZKHSFJMEGAP-UHFFFAOYSA-N 1 2 291.399 1.238 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](CCOC)CC1 ZINC000343580273 265046037 /nfs/dbraw/zinc/04/60/37/265046037.db2.gz VUWMPNFONFGLNE-AWEZNQCLSA-N 1 2 254.374 1.379 20 30 CDEDLO N#CCC1(O)CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000356576895 266140343 /nfs/dbraw/zinc/14/03/43/266140343.db2.gz MNIUZELDSWQGEF-UHFFFAOYSA-N 1 2 296.330 1.032 20 30 CDEDLO C=CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)C1CC1 ZINC000357576956 266329659 /nfs/dbraw/zinc/32/96/59/266329659.db2.gz AZVIUKGEYFJEQO-STQMWFEESA-N 1 2 281.400 1.456 20 30 CDEDLO CCO[C@@H]1C[C@H](Nc2cc(C)[nH+]cc2C#N)[C@@]12CCCO2 ZINC000514933270 267151668 /nfs/dbraw/zinc/15/16/68/267151668.db2.gz XKMPCPNSDXKQAT-XHSDSOJGSA-N 1 2 287.363 1.822 20 30 CDEDLO C=C(C)CS(=O)(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000369070638 267218814 /nfs/dbraw/zinc/21/88/14/267218814.db2.gz KBJRZIHWHPAWLE-UHFFFAOYSA-N 1 2 283.397 1.557 20 30 CDEDLO CC#CC[NH+]1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC000119551657 267345368 /nfs/dbraw/zinc/34/53/68/267345368.db2.gz ZZSNRACUHBTEPX-HOTGVXAUSA-N 1 2 291.439 1.322 20 30 CDEDLO CC1(C)CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H]1C#N ZINC000333092151 278213363 /nfs/dbraw/zinc/21/33/63/278213363.db2.gz ZSRZDKISWUVIIZ-GXTWGEPZSA-N 1 2 286.379 1.986 20 30 CDEDLO N#Cc1ccc(/C=C/C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000135486173 279818898 /nfs/dbraw/zinc/81/88/98/279818898.db2.gz ARFRZCVEOULKGD-AATRIKPKSA-N 1 2 266.304 1.653 20 30 CDEDLO CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352480486 280108787 /nfs/dbraw/zinc/10/87/87/280108787.db2.gz CNTAFOHWDVDVDQ-GHMZBOCLSA-N 1 2 255.337 1.617 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2ncsc2C1 ZINC000346989698 289341495 /nfs/dbraw/zinc/34/14/95/289341495.db2.gz SGJGSPBTHPTQAA-SNVBAGLBSA-N 1 2 290.392 1.452 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2ncsc2C1 ZINC000346989698 289341496 /nfs/dbraw/zinc/34/14/96/289341496.db2.gz SGJGSPBTHPTQAA-SNVBAGLBSA-N 1 2 290.392 1.452 20 30 CDEDLO N#Cc1cccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000548640107 289909040 /nfs/dbraw/zinc/90/90/40/289909040.db2.gz MKLZOGZBZDHMLP-ZDUSSCGKSA-N 1 2 266.304 1.500 20 30 CDEDLO COc1cc(C#N)ccc1NC(=O)NCc1ccc(N)[nH+]c1 ZINC000554924909 290198737 /nfs/dbraw/zinc/19/87/37/290198737.db2.gz GEKHAULYLIWCLQ-UHFFFAOYSA-N 1 2 297.318 1.696 20 30 CDEDLO Cc1cc(NC2CCN(c3cccnn3)CC2)c(C#N)c[nH+]1 ZINC000570956669 294341945 /nfs/dbraw/zinc/34/19/45/294341945.db2.gz IUAWCFUKIYTGPM-UHFFFAOYSA-N 1 2 294.362 1.555 20 30 CDEDLO N#Cc1cnc(N2CCC[C@@H]2C[NH+]2CCOCC2)c(F)c1 ZINC000413229351 294988929 /nfs/dbraw/zinc/98/89/29/294988929.db2.gz CHXDDBCKLFDAJP-CYBMUJFWSA-N 1 2 290.342 1.393 20 30 CDEDLO C[C@@H]1CC[C@H](CCC(=O)N[C@@](C)(C#N)C[NH+](C)C)O1 ZINC000563220517 327979509 /nfs/dbraw/zinc/97/95/09/327979509.db2.gz PTSBDSNAUICZKB-BZPMIXESSA-N 1 2 267.373 1.294 20 30 CDEDLO C[C@@]1(F)CC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000576584565 317167044 /nfs/dbraw/zinc/16/70/44/317167044.db2.gz JTRBFDIPLFVUMZ-CYBMUJFWSA-N 1 2 259.288 1.535 20 30 CDEDLO C[C@@]1(F)CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000576584565 317167046 /nfs/dbraw/zinc/16/70/46/317167046.db2.gz JTRBFDIPLFVUMZ-CYBMUJFWSA-N 1 2 259.288 1.535 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c1 ZINC000579577248 324220642 /nfs/dbraw/zinc/22/06/42/324220642.db2.gz ORVQVJSHEQLOMK-ZDUSSCGKSA-N 1 2 283.335 1.762 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c1 ZINC000579577248 324220646 /nfs/dbraw/zinc/22/06/46/324220646.db2.gz ORVQVJSHEQLOMK-ZDUSSCGKSA-N 1 2 283.335 1.762 20 30 CDEDLO C#CCOc1ccccc1C[NH2+]Cc1nncn1C ZINC000037989057 326868038 /nfs/dbraw/zinc/86/80/38/326868038.db2.gz NEGLFNBOUWEXMA-UHFFFAOYSA-N 1 2 256.309 1.117 20 30 CDEDLO C=C[C@@H]1CCCCN1c1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000518337129 327154798 /nfs/dbraw/zinc/15/47/98/327154798.db2.gz ATQNIXVTJSAMKS-VXGBXAGGSA-N 1 2 262.357 1.814 20 30 CDEDLO C=C[C@@H]1CCCCN1c1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000518337129 327154799 /nfs/dbraw/zinc/15/47/99/327154799.db2.gz ATQNIXVTJSAMKS-VXGBXAGGSA-N 1 2 262.357 1.814 20 30 CDEDLO CCc1nocc1C[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000559368801 327196514 /nfs/dbraw/zinc/19/65/14/327196514.db2.gz UAVGGIQZGAONSL-UHFFFAOYSA-N 1 2 276.340 1.231 20 30 CDEDLO CCc1nocc1C[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000559368801 327196515 /nfs/dbraw/zinc/19/65/15/327196515.db2.gz UAVGGIQZGAONSL-UHFFFAOYSA-N 1 2 276.340 1.231 20 30 CDEDLO CCC(CC)[C@H](C(=O)NCC1(C#N)CC1)[NH+]1CCOCC1 ZINC000559610063 327255379 /nfs/dbraw/zinc/25/53/79/327255379.db2.gz GOYHBXGJBZHYLR-CQSZACIVSA-N 1 2 293.411 1.543 20 30 CDEDLO NC(CN1CCOCC1)=[NH+]OCc1ccc(Cl)cc1 ZINC000111182219 327277583 /nfs/dbraw/zinc/27/75/83/327277583.db2.gz QWQGSHSZSLBNIH-UHFFFAOYSA-N 1 2 283.759 1.461 20 30 CDEDLO N#CCC1(CS(=O)(=O)N2CCc3c[nH+]ccc32)CC1 ZINC000572644324 327586385 /nfs/dbraw/zinc/58/63/85/327586385.db2.gz IBPCKNKLYNLYKV-UHFFFAOYSA-N 1 2 277.349 1.468 20 30 CDEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377528509 329017676 /nfs/dbraw/zinc/01/76/76/329017676.db2.gz ROUICRJZBQMHJG-AWEZNQCLSA-N 1 2 293.411 1.247 20 30 CDEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377528510 329017805 /nfs/dbraw/zinc/01/78/05/329017805.db2.gz ROUICRJZBQMHJG-CQSZACIVSA-N 1 2 293.411 1.247 20 30 CDEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000377970316 329036049 /nfs/dbraw/zinc/03/60/49/329036049.db2.gz PWISMLKJWIXCSN-MRXNPFEDSA-N 1 2 293.370 1.960 20 30 CDEDLO C#CCN(CC#C)C(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000175726563 329168126 /nfs/dbraw/zinc/16/81/26/329168126.db2.gz RZPPDPUSKDUJPG-UHFFFAOYSA-N 1 2 279.343 1.694 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1ccccn1)C1CC1 ZINC000181336592 329231897 /nfs/dbraw/zinc/23/18/97/329231897.db2.gz UEUATOJMBSYCKE-UHFFFAOYSA-N 1 2 288.351 1.058 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccccn1)C1CC1 ZINC000181336592 329231899 /nfs/dbraw/zinc/23/18/99/329231899.db2.gz UEUATOJMBSYCKE-UHFFFAOYSA-N 1 2 288.351 1.058 20 30 CDEDLO C#CC[N@H+](C1CC1)[C@H]1CCN(c2ccccc2OC)C1=O ZINC000279012727 330121636 /nfs/dbraw/zinc/12/16/36/330121636.db2.gz APSGCAYJAHAJBY-HNNXBMFYSA-N 1 2 284.359 1.898 20 30 CDEDLO C#CC[N@@H+](C1CC1)[C@H]1CCN(c2ccccc2OC)C1=O ZINC000279012727 330121637 /nfs/dbraw/zinc/12/16/37/330121637.db2.gz APSGCAYJAHAJBY-HNNXBMFYSA-N 1 2 284.359 1.898 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)[C@H](C)Oc2ccccc2C)CC1 ZINC000120929385 330393252 /nfs/dbraw/zinc/39/32/52/330393252.db2.gz TVSSGCXITMUPJG-HNNXBMFYSA-N 1 2 286.375 1.540 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@@H](CC)C1CCC1)C(=O)OC ZINC000449299028 330912960 /nfs/dbraw/zinc/91/29/60/330912960.db2.gz KDMKBWQXUYABED-QWHCGFSZSA-N 1 2 255.358 1.899 20 30 CDEDLO C=CCC[C@@H](CO)Nc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000450904740 331006231 /nfs/dbraw/zinc/00/62/31/331006231.db2.gz CHJQTQNLQCKXAB-LBPRGKRZSA-N 1 2 286.379 1.857 20 30 CDEDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)N(C)[C@H](C)CC#N ZINC000451925346 331047429 /nfs/dbraw/zinc/04/74/29/331047429.db2.gz FFJJLEBIFQYWGI-GHMZBOCLSA-N 1 2 299.400 1.032 20 30 CDEDLO C=C(C)CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000452715042 331072707 /nfs/dbraw/zinc/07/27/07/331072707.db2.gz BMHBRIRLDCSFBC-AWEZNQCLSA-N 1 2 266.385 1.712 20 30 CDEDLO C=C(C)CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000452715042 331072708 /nfs/dbraw/zinc/07/27/08/331072708.db2.gz BMHBRIRLDCSFBC-AWEZNQCLSA-N 1 2 266.385 1.712 20 30 CDEDLO C=C(CC)CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000454708069 331151923 /nfs/dbraw/zinc/15/19/23/331151923.db2.gz GDLMSVFTTLLVLV-CYBMUJFWSA-N 1 2 274.368 1.926 20 30 CDEDLO Cc1[nH+]c2cc(NC(=O)[C@H](C)C#N)ccc2n1[C@@H](C)CO ZINC000456711356 331198979 /nfs/dbraw/zinc/19/89/79/331198979.db2.gz LUBVUDBPYAYMTF-ZJUUUORDSA-N 1 2 286.335 1.996 20 30 CDEDLO C=CC(C)(C)CNC(=O)NCCCn1cc[nH+]c1 ZINC000457380737 331220602 /nfs/dbraw/zinc/22/06/02/331220602.db2.gz HIBVYOYUACWCCE-UHFFFAOYSA-N 1 2 250.346 1.785 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000490674782 332102192 /nfs/dbraw/zinc/10/21/92/332102192.db2.gz CVCLPDKMQFHUHS-CVEARBPZSA-N 1 2 288.391 1.115 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000490674782 332102193 /nfs/dbraw/zinc/10/21/93/332102193.db2.gz CVCLPDKMQFHUHS-CVEARBPZSA-N 1 2 288.391 1.115 20 30 CDEDLO C#CCN(CC#CC)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000490701240 332106290 /nfs/dbraw/zinc/10/62/90/332106290.db2.gz VSHIVVLOJHTKMD-UHFFFAOYSA-N 1 2 284.363 1.316 20 30 CDEDLO C#CCN(CC#CC)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000490780348 332115072 /nfs/dbraw/zinc/11/50/72/332115072.db2.gz KLUUWMZNYWCLPZ-UHFFFAOYSA-N 1 2 279.343 1.830 20 30 CDEDLO C#CC(C)(C)[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000491070465 332143642 /nfs/dbraw/zinc/14/36/42/332143642.db2.gz CAJNYEUPBZDOJN-UHFFFAOYSA-N 1 2 265.378 1.934 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000491070465 332143644 /nfs/dbraw/zinc/14/36/44/332143644.db2.gz CAJNYEUPBZDOJN-UHFFFAOYSA-N 1 2 265.378 1.934 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000491627062 332250746 /nfs/dbraw/zinc/25/07/46/332250746.db2.gz JPMGWLZHQUSNMU-LBPRGKRZSA-N 1 2 288.347 1.740 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000491627062 332250747 /nfs/dbraw/zinc/25/07/47/332250747.db2.gz JPMGWLZHQUSNMU-LBPRGKRZSA-N 1 2 288.347 1.740 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000491651440 332264846 /nfs/dbraw/zinc/26/48/46/332264846.db2.gz GQYAJQRMPIZUJE-CQSZACIVSA-N 1 2 281.359 1.954 20 30 CDEDLO C#C[C@H](CCC)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000491665331 332274065 /nfs/dbraw/zinc/27/40/65/332274065.db2.gz KOOMDZWEAVHDJO-CYBMUJFWSA-N 1 2 288.395 1.863 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000491673755 332279773 /nfs/dbraw/zinc/27/97/73/332279773.db2.gz JGYCZYASTSYPRH-LLVKDONJSA-N 1 2 273.336 1.425 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C[C@]2(CCc3ccccc32)C1=O ZINC000491689135 332286700 /nfs/dbraw/zinc/28/67/00/332286700.db2.gz GRBPHSBROMKOMI-UGSOOPFHSA-N 1 2 296.370 1.541 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C[C@]2(CCc3ccccc32)C1=O ZINC000491689135 332286701 /nfs/dbraw/zinc/28/67/01/332286701.db2.gz GRBPHSBROMKOMI-UGSOOPFHSA-N 1 2 296.370 1.541 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCCCSc1ccccc1 ZINC000491691890 332288712 /nfs/dbraw/zinc/28/87/12/332288712.db2.gz FYFPEVNYABIGLM-UHFFFAOYSA-N 1 2 276.405 1.850 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCCCSc1ccccc1 ZINC000491691890 332288713 /nfs/dbraw/zinc/28/87/13/332288713.db2.gz FYFPEVNYABIGLM-UHFFFAOYSA-N 1 2 276.405 1.850 20 30 CDEDLO C#C[C@@H]1COCCN1C(=O)Nc1ccc(C)[nH+]c1C ZINC000491805135 332358864 /nfs/dbraw/zinc/35/88/64/332358864.db2.gz NIWUMQBUOSEPHD-GFCCVEGCSA-N 1 2 259.309 1.564 20 30 CDEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@]1(C#N)CC1(C)C ZINC000493363309 332437195 /nfs/dbraw/zinc/43/71/95/332437195.db2.gz BYBRQMGJWMTFOV-GJBLVYBDSA-N 1 2 258.325 1.725 20 30 CDEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(CCC#N)CC1 ZINC000516929436 333086687 /nfs/dbraw/zinc/08/66/87/333086687.db2.gz ZMUWIKLJRNMULK-CQSZACIVSA-N 1 2 279.384 1.249 20 30 CDEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(CCC#N)CC1 ZINC000516929436 333086689 /nfs/dbraw/zinc/08/66/89/333086689.db2.gz ZMUWIKLJRNMULK-CQSZACIVSA-N 1 2 279.384 1.249 20 30 CDEDLO C#CCN(C)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000191156520 333216280 /nfs/dbraw/zinc/21/62/80/333216280.db2.gz HOJYHBYMLVMJKZ-RMKNXTFCSA-N 1 2 265.316 1.977 20 30 CDEDLO C[C@@H]1C[N@H+](CCN(CCC#N)CC(C)(C)C)CCO1 ZINC000192744684 333239043 /nfs/dbraw/zinc/23/90/43/333239043.db2.gz VILGFYUVWKUVBU-CQSZACIVSA-N 1 2 267.417 1.969 20 30 CDEDLO C[C@@H]1C[N@@H+](CCN(CCC#N)CC(C)(C)C)CCO1 ZINC000192744684 333239044 /nfs/dbraw/zinc/23/90/44/333239044.db2.gz VILGFYUVWKUVBU-CQSZACIVSA-N 1 2 267.417 1.969 20 30 CDEDLO C[C@@H](CC#N)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000194711143 333276014 /nfs/dbraw/zinc/27/60/14/333276014.db2.gz JSGXTFBNPXYXGA-NSHDSACASA-N 1 2 254.293 1.904 20 30 CDEDLO CN1CC[N@H+](Cc2ccccc2C(C)(C)C#N)CC1=O ZINC000135246666 334121658 /nfs/dbraw/zinc/12/16/58/334121658.db2.gz CHXRVOWNYAAPJO-UHFFFAOYSA-N 1 2 271.364 1.762 20 30 CDEDLO CN1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)CC1=O ZINC000135246666 334121659 /nfs/dbraw/zinc/12/16/59/334121659.db2.gz CHXRVOWNYAAPJO-UHFFFAOYSA-N 1 2 271.364 1.762 20 30 CDEDLO CCn1cc[nH+]c1/C=C/C(=O)N(C)C1(C#N)CCC1 ZINC000136635040 334159826 /nfs/dbraw/zinc/15/98/26/334159826.db2.gz KSCPJHOAUMVSQU-AATRIKPKSA-N 1 2 258.325 1.821 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000565372667 334557655 /nfs/dbraw/zinc/55/76/55/334557655.db2.gz XVDKSJUEQRVKBA-CYBMUJFWSA-N 1 2 295.408 1.719 20 30 CDEDLO COc1cccc(N2C[C@@H]([NH2+]CCC#N)CC2=O)c1 ZINC000569097898 334855175 /nfs/dbraw/zinc/85/51/75/334855175.db2.gz GIDCDYDQYYSQFB-NSHDSACASA-N 1 2 259.309 1.304 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc2nsnc2c1 ZINC000573123863 334910781 /nfs/dbraw/zinc/91/07/81/334910781.db2.gz PIMLAFMWGYZZBP-ZDUSSCGKSA-N 1 2 289.364 1.265 20 30 CDEDLO C=CCN(CCOC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000576454764 335205355 /nfs/dbraw/zinc/20/53/55/335205355.db2.gz YCTWOZYPMMBYLH-UHFFFAOYSA-N 1 2 263.341 1.787 20 30 CDEDLO Cc1nc2ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc2n1C ZINC000576826352 335252753 /nfs/dbraw/zinc/25/27/53/335252753.db2.gz JGVKLIIWMZPZGJ-MRXNPFEDSA-N 1 2 299.378 1.455 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000185147572 335947115 /nfs/dbraw/zinc/94/71/15/335947115.db2.gz JHONTDFSAVGSRR-VIFPVBQESA-N 1 2 266.345 1.320 20 30 CDEDLO COc1cc2c(cc1C[NH2+]CC1(C#N)CC1)OCO2 ZINC000581980354 336183213 /nfs/dbraw/zinc/18/32/13/336183213.db2.gz QDVLJHHVKNKQJS-UHFFFAOYSA-N 1 2 260.293 1.817 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H](C)SC)C1 ZINC001753649537 1159869231 /nfs/dbraw/zinc/86/92/31/1159869231.db2.gz GKPIJWBBKMVHKQ-OLZOCXBDSA-N 1 2 286.441 1.521 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C[C@@H](C)SC)C1 ZINC001753649537 1159869243 /nfs/dbraw/zinc/86/92/43/1159869243.db2.gz GKPIJWBBKMVHKQ-OLZOCXBDSA-N 1 2 286.441 1.521 20 30 CDEDLO C=C[C@H](O)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000668414329 482429230 /nfs/dbraw/zinc/42/92/30/482429230.db2.gz ACRSBIFMYKCRNU-AWEZNQCLSA-N 1 2 289.379 1.625 20 30 CDEDLO C=CCCOCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000677060241 482463416 /nfs/dbraw/zinc/46/34/16/482463416.db2.gz WCMYQNOCHJFSJL-CYBMUJFWSA-N 1 2 275.352 1.369 20 30 CDEDLO C=CCN(c1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1)C1CC1 ZINC000665710113 482477107 /nfs/dbraw/zinc/47/71/07/482477107.db2.gz AEZGZXJSAATWCI-CHWSQXEVSA-N 1 2 288.395 1.839 20 30 CDEDLO C=CCN(c1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1)C1CC1 ZINC000665710113 482477109 /nfs/dbraw/zinc/47/71/09/482477109.db2.gz AEZGZXJSAATWCI-CHWSQXEVSA-N 1 2 288.395 1.839 20 30 CDEDLO COCC#CC[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000677989310 482882104 /nfs/dbraw/zinc/88/21/04/482882104.db2.gz OVDHEEGFRJRBRH-CYBMUJFWSA-N 1 2 274.368 1.511 20 30 CDEDLO COCC#CC[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000677989310 482882106 /nfs/dbraw/zinc/88/21/06/482882106.db2.gz OVDHEEGFRJRBRH-CYBMUJFWSA-N 1 2 274.368 1.511 20 30 CDEDLO C=CCOCC(=O)NCC[N@@H+](C)Cc1cc(C)ns1 ZINC001753043603 1185010982 /nfs/dbraw/zinc/01/09/82/1185010982.db2.gz GMNYPANFWCAJKS-UHFFFAOYSA-N 1 2 283.397 1.202 20 30 CDEDLO C=CCOCC(=O)NCC[N@H+](C)Cc1cc(C)ns1 ZINC001753043603 1185010988 /nfs/dbraw/zinc/01/09/88/1185010988.db2.gz GMNYPANFWCAJKS-UHFFFAOYSA-N 1 2 283.397 1.202 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2(C)CC(=C)C2)C1 ZINC001753652672 1185289516 /nfs/dbraw/zinc/28/95/16/1185289516.db2.gz LULNQXBKCQSCTP-CYBMUJFWSA-N 1 2 264.369 1.346 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C2(C)CC(=C)C2)C1 ZINC001753652672 1185289523 /nfs/dbraw/zinc/28/95/23/1185289523.db2.gz LULNQXBKCQSCTP-CYBMUJFWSA-N 1 2 264.369 1.346 20 30 CDEDLO C[C@H](CNC(=O)CCc1cnccn1)[NH+]1CCOCC1 ZINC000329993616 534299391 /nfs/dbraw/zinc/29/93/91/534299391.db2.gz LPWKPIOBWJSQTM-GFCCVEGCSA-N 1 2 278.356 1.086 20 30 CDEDLO C#CC[N@H+](CC(=O)N1CCCC1)Cc1ccc(F)cc1 ZINC000062363770 518254676 /nfs/dbraw/zinc/25/46/76/518254676.db2.gz KWMHBMLQRUPPDF-UHFFFAOYSA-N 1 2 274.339 1.883 20 30 CDEDLO C#CC[N@@H+](CC(=O)N1CCCC1)Cc1ccc(F)cc1 ZINC000062363770 518254682 /nfs/dbraw/zinc/25/46/82/518254682.db2.gz KWMHBMLQRUPPDF-UHFFFAOYSA-N 1 2 274.339 1.883 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH2+][C@H](COC)c1ccc(CC)o1 ZINC000184776517 518922514 /nfs/dbraw/zinc/92/25/14/518922514.db2.gz IJJAMQINCKZZDS-WCQYABFASA-N 1 2 280.368 1.810 20 30 CDEDLO CC#CCCCC(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000184196598 519332478 /nfs/dbraw/zinc/33/24/78/519332478.db2.gz DSPNNOXJFCQRAG-CYBMUJFWSA-N 1 2 293.436 1.816 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@]2(C)CCCOC2)CC1 ZINC001113459797 1162179346 /nfs/dbraw/zinc/17/93/46/1162179346.db2.gz HVQCSWNMXWMJKT-MRXNPFEDSA-N 1 2 296.411 1.150 20 30 CDEDLO CO[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000300178249 523684478 /nfs/dbraw/zinc/68/44/78/523684478.db2.gz LOHPJFSNKNFCFZ-CYBMUJFWSA-N 1 2 294.376 1.053 20 30 CDEDLO CO[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000300178249 523684486 /nfs/dbraw/zinc/68/44/86/523684486.db2.gz LOHPJFSNKNFCFZ-CYBMUJFWSA-N 1 2 294.376 1.053 20 30 CDEDLO C[NH+]1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 ZINC000338465557 523882412 /nfs/dbraw/zinc/88/24/12/523882412.db2.gz NEJQBIPORSKBKE-UHFFFAOYSA-N 1 2 298.268 1.360 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000333228492 534753180 /nfs/dbraw/zinc/75/31/80/534753180.db2.gz BLDFXCKXUWZUFE-GUTXKFCHSA-N 1 2 291.395 1.438 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000333228492 534753185 /nfs/dbraw/zinc/75/31/85/534753185.db2.gz BLDFXCKXUWZUFE-GUTXKFCHSA-N 1 2 291.395 1.438 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000047028144 524955723 /nfs/dbraw/zinc/95/57/23/524955723.db2.gz DZLKOSXEKBNLBC-ZDUSSCGKSA-N 1 2 297.362 1.985 20 30 CDEDLO C[C@@H](C#N)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000049424782 526236296 /nfs/dbraw/zinc/23/62/96/526236296.db2.gz UYDOJWAUIYZFAU-NSHDSACASA-N 1 2 269.308 1.499 20 30 CDEDLO CC(C)(CNC(=O)N[C@]1(C)CCCOC1)[NH+]1CCOCC1 ZINC000329142773 526949185 /nfs/dbraw/zinc/94/91/85/526949185.db2.gz LMXJXRNPSMSITD-OAHLLOKOSA-N 1 2 299.415 1.170 20 30 CDEDLO C=CC[C@H](CC)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000350464823 527157111 /nfs/dbraw/zinc/15/71/11/527157111.db2.gz XTRLLFMSIKHKHN-NWDGAFQWSA-N 1 2 262.357 1.852 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000352238462 527252498 /nfs/dbraw/zinc/25/24/98/527252498.db2.gz PFJKDKNNYCMGDV-GFCCVEGCSA-N 1 2 292.383 1.240 20 30 CDEDLO C#C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)C(C)C ZINC000366984393 527278351 /nfs/dbraw/zinc/27/83/51/527278351.db2.gz UWZKWVOAHODUHO-CQSZACIVSA-N 1 2 297.362 1.724 20 30 CDEDLO Cc1nc(N2CCN(c3ccnc(C#N)c3)CC2)cc[nH+]1 ZINC000286841566 527347877 /nfs/dbraw/zinc/34/78/77/527347877.db2.gz LVEKDBYMGDZNFQ-UHFFFAOYSA-N 1 2 280.335 1.378 20 30 CDEDLO C[C@H](CNC(=O)C[C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000329769239 538643852 /nfs/dbraw/zinc/64/38/52/538643852.db2.gz FFOIZGJOFRXDMT-NEPJUHHUSA-N 1 2 256.346 1.090 20 30 CDEDLO O=C(NC[C@@H]1Cc2ccccc2O1)N1CCn2cc[nH+]c2C1 ZINC000329817480 538671992 /nfs/dbraw/zinc/67/19/92/538671992.db2.gz FULUVAJYJKMTDL-ZDUSSCGKSA-N 1 2 298.346 1.616 20 30 CDEDLO N#CCCNC(=O)C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000763449822 576737641 /nfs/dbraw/zinc/73/76/41/576737641.db2.gz ZCLFCEIIENEBSY-UHFFFAOYSA-N 1 2 279.384 1.441 20 30 CDEDLO N#CCCNC(=O)C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000763449822 576737643 /nfs/dbraw/zinc/73/76/43/576737643.db2.gz ZCLFCEIIENEBSY-UHFFFAOYSA-N 1 2 279.384 1.441 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)CC(C)C)CC1 ZINC000772115694 575662407 /nfs/dbraw/zinc/66/24/07/575662407.db2.gz ZRRNYMUBIDEOTI-UHFFFAOYSA-N 1 2 265.353 1.490 20 30 CDEDLO C#C[C@@H](C)NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000773605935 575829950 /nfs/dbraw/zinc/82/99/50/575829950.db2.gz YJRFQXWIXFRZNN-GFCCVEGCSA-N 1 2 277.393 1.597 20 30 CDEDLO N#CCCNC(=O)C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000769228203 576339119 /nfs/dbraw/zinc/33/91/19/576339119.db2.gz LYPHBDREJKYDHL-LLVKDONJSA-N 1 2 293.317 1.784 20 30 CDEDLO N#CCCNC(=O)C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000769228203 576339120 /nfs/dbraw/zinc/33/91/20/576339120.db2.gz LYPHBDREJKYDHL-LLVKDONJSA-N 1 2 293.317 1.784 20 30 CDEDLO CC(C)C[N@H+](CCC#N)Cc1cc(=O)n2[nH]ccc2n1 ZINC000739915176 576397595 /nfs/dbraw/zinc/39/75/95/576397595.db2.gz VXMVEMRXSUAIOC-UHFFFAOYSA-N 1 2 273.340 1.394 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)Cc1cc(=O)n2[nH]ccc2n1 ZINC000739915176 576397597 /nfs/dbraw/zinc/39/75/97/576397597.db2.gz VXMVEMRXSUAIOC-UHFFFAOYSA-N 1 2 273.340 1.394 20 30 CDEDLO N#CCC[N@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759907034 576442872 /nfs/dbraw/zinc/44/28/72/576442872.db2.gz SBPDTKUBOPKGJP-LBPRGKRZSA-N 1 2 270.336 1.433 20 30 CDEDLO N#CCC[N@@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759907034 576442873 /nfs/dbraw/zinc/44/28/73/576442873.db2.gz SBPDTKUBOPKGJP-LBPRGKRZSA-N 1 2 270.336 1.433 20 30 CDEDLO Cc1[nH+]c(C=NNc2cnn(C)c2)c2ccccn12 ZINC000761859930 576598816 /nfs/dbraw/zinc/59/88/16/576598816.db2.gz CZEMLNDYTWBSHU-UHFFFAOYSA-N 1 2 254.297 1.822 20 30 CDEDLO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1sccc1C(N)=O ZINC000746456775 576776712 /nfs/dbraw/zinc/77/67/12/576776712.db2.gz IUPYUSOHTKGFPA-VIFPVBQESA-N 1 2 279.365 1.129 20 30 CDEDLO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1sccc1C(N)=O ZINC000746456775 576776713 /nfs/dbraw/zinc/77/67/13/576776713.db2.gz IUPYUSOHTKGFPA-VIFPVBQESA-N 1 2 279.365 1.129 20 30 CDEDLO C#CCNC(=O)C[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000746870963 576849955 /nfs/dbraw/zinc/84/99/55/576849955.db2.gz ANDNDNHKPAZWMJ-AWEZNQCLSA-N 1 2 285.372 1.572 20 30 CDEDLO C=C[C@@H](C)NC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000754119922 576881374 /nfs/dbraw/zinc/88/13/74/576881374.db2.gz SHKSHEOVQBMTSW-LLVKDONJSA-N 1 2 296.440 1.770 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]1SCC ZINC000748575331 576918295 /nfs/dbraw/zinc/91/82/95/576918295.db2.gz GCQLHOSGHPXDKE-RDBSUJKOSA-N 1 2 280.437 1.874 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]1SCC ZINC000748575331 576918296 /nfs/dbraw/zinc/91/82/96/576918296.db2.gz GCQLHOSGHPXDKE-RDBSUJKOSA-N 1 2 280.437 1.874 20 30 CDEDLO C[C@@H]1CC[N@H+](Cn2cccc(C#N)c2=O)CCS1 ZINC000754873400 576920231 /nfs/dbraw/zinc/92/02/31/576920231.db2.gz RKZFNFNQRMCUDI-LLVKDONJSA-N 1 2 263.366 1.505 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)CCS1 ZINC000754873400 576920232 /nfs/dbraw/zinc/92/02/32/576920232.db2.gz RKZFNFNQRMCUDI-LLVKDONJSA-N 1 2 263.366 1.505 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CN(C)c2ccc(C)cc2)CC1 ZINC000748813901 576926296 /nfs/dbraw/zinc/92/62/96/576926296.db2.gz WLLXBLZCMPRQLV-UHFFFAOYSA-N 1 2 285.391 1.209 20 30 CDEDLO CC(C)C(=O)NCCC/[NH+]=C/c1cccc(O)c1O ZINC000755375017 576942141 /nfs/dbraw/zinc/94/21/41/576942141.db2.gz DPPLLMRLOWMMRA-OQLLNIDSSA-N 1 2 264.325 1.679 20 30 CDEDLO N#CCCNC(=O)C[N@H+]1CCc2c(F)cccc2C1 ZINC000757148854 577031715 /nfs/dbraw/zinc/03/17/15/577031715.db2.gz GXRPLPJPPHXMNK-UHFFFAOYSA-N 1 2 261.300 1.214 20 30 CDEDLO N#CCCNC(=O)C[N@@H+]1CCc2c(F)cccc2C1 ZINC000757148854 577031716 /nfs/dbraw/zinc/03/17/16/577031716.db2.gz GXRPLPJPPHXMNK-UHFFFAOYSA-N 1 2 261.300 1.214 20 30 CDEDLO Cc1ccn(CN2CCC[C@H](n3cc[nH+]c3)C2)c(=O)c1C#N ZINC000758222249 577084810 /nfs/dbraw/zinc/08/48/10/577084810.db2.gz ILQPEJJXVGQMEV-AWEZNQCLSA-N 1 2 297.362 1.520 20 30 CDEDLO C[C@@H]1C[N@H+](C)CC1N=Nc1ccccc1S(C)(=O)=O ZINC000752165654 577091579 /nfs/dbraw/zinc/09/15/79/577091579.db2.gz LUQVFICMERFTQA-SNVBAGLBSA-N 1 2 281.381 1.440 20 30 CDEDLO C[C@@H]1C[N@@H+](C)CC1N=Nc1ccccc1S(C)(=O)=O ZINC000752165654 577091581 /nfs/dbraw/zinc/09/15/81/577091581.db2.gz LUQVFICMERFTQA-SNVBAGLBSA-N 1 2 281.381 1.440 20 30 CDEDLO CN1CCc2cc(C=[NH+]Nc3cccnn3)ccc21 ZINC000752733006 577121556 /nfs/dbraw/zinc/12/15/56/577121556.db2.gz FYEIUKWLAZURJB-UHFFFAOYSA-N 1 2 253.309 1.915 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000758723466 577128736 /nfs/dbraw/zinc/12/87/36/577128736.db2.gz DFFFLYSOTNDKLG-GFCCVEGCSA-N 1 2 290.388 1.535 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000758723466 577128737 /nfs/dbraw/zinc/12/87/37/577128737.db2.gz DFFFLYSOTNDKLG-GFCCVEGCSA-N 1 2 290.388 1.535 20 30 CDEDLO N#CC1CC[NH+](Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000826380522 608655664 /nfs/dbraw/zinc/65/56/64/608655664.db2.gz CWZCTGADPQNOEH-UHFFFAOYSA-N 1 2 258.285 1.195 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2c(C)n[nH]c2C)C1 ZINC000956966960 612991263 /nfs/dbraw/zinc/99/12/63/612991263.db2.gz SCHFJVHPQNIJOC-UHFFFAOYSA-N 1 2 274.368 1.196 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(C#N)[nH]2)C1 ZINC000949912787 612992253 /nfs/dbraw/zinc/99/22/53/612992253.db2.gz IETHZBVCEZQHPK-UHFFFAOYSA-N 1 2 270.336 1.056 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@]34C[C@H]3CCC4)C2)C1 ZINC000972471635 613211405 /nfs/dbraw/zinc/21/14/05/613211405.db2.gz LVYJXYBAWBAPNC-HYVNUMGLSA-N 1 2 288.391 1.113 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@]34C[C@H]3CCC4)C2)C1 ZINC000972471635 613211407 /nfs/dbraw/zinc/21/14/07/613211407.db2.gz LVYJXYBAWBAPNC-HYVNUMGLSA-N 1 2 288.391 1.113 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2nc(Cl)cs2)C1 ZINC000968015159 613221723 /nfs/dbraw/zinc/22/17/23/613221723.db2.gz INSXFIPQBCYFEV-NXEZZACHSA-N 1 2 297.811 1.870 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2nc(Cl)cs2)C1 ZINC000968015159 613221725 /nfs/dbraw/zinc/22/17/25/613221725.db2.gz INSXFIPQBCYFEV-NXEZZACHSA-N 1 2 297.811 1.870 20 30 CDEDLO C#Cc1cncc(C(=O)N[C@H]2C[N@@H+](CCF)CC2(C)C)c1 ZINC000975011433 613222131 /nfs/dbraw/zinc/22/21/31/613222131.db2.gz LAQIYDWJFCAECO-AWEZNQCLSA-N 1 2 289.354 1.473 20 30 CDEDLO C#Cc1cncc(C(=O)N[C@H]2C[N@H+](CCF)CC2(C)C)c1 ZINC000975011433 613222132 /nfs/dbraw/zinc/22/21/32/613222132.db2.gz LAQIYDWJFCAECO-AWEZNQCLSA-N 1 2 289.354 1.473 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c(C)cnn2C)C1 ZINC000951174936 613295940 /nfs/dbraw/zinc/29/59/40/613295940.db2.gz ZURHCBUJMGQHMI-UHFFFAOYSA-N 1 2 276.384 1.451 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(OC)ncn2)C1 ZINC000950336273 613296504 /nfs/dbraw/zinc/29/65/04/613296504.db2.gz GZKKDJQGRBSQQR-UHFFFAOYSA-N 1 2 290.367 1.208 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cn(CC)nn2)C1 ZINC000957051433 613296908 /nfs/dbraw/zinc/29/69/08/613296908.db2.gz MFZUBNOQHZBZQE-UHFFFAOYSA-N 1 2 277.372 1.020 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cncn2C)C1 ZINC000950779203 613297499 /nfs/dbraw/zinc/29/74/99/613297499.db2.gz CGBSUBNMMRTPKJ-UHFFFAOYSA-N 1 2 262.357 1.143 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cn(C)nc2C)C1 ZINC000969394955 613371808 /nfs/dbraw/zinc/37/18/08/613371808.db2.gz DORFICANJOAUMH-SNVBAGLBSA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccc(=O)[nH]2)C1 ZINC000969447657 613372422 /nfs/dbraw/zinc/37/24/22/613372422.db2.gz AXKGKTNZULMFPY-JTQLQIEISA-N 1 2 295.770 1.590 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC000965320197 613377461 /nfs/dbraw/zinc/37/74/61/613377461.db2.gz CBOOOVGOKCGCSB-CABZTGNLSA-N 1 2 282.775 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC000965320197 613377462 /nfs/dbraw/zinc/37/74/62/613377462.db2.gz CBOOOVGOKCGCSB-CABZTGNLSA-N 1 2 282.775 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccnn2C)C1 ZINC000965529563 613377612 /nfs/dbraw/zinc/37/76/12/613377612.db2.gz SLYFEGRLVBHMBC-JQWIXIFHSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccnn2C)C1 ZINC000965529563 613377613 /nfs/dbraw/zinc/37/76/13/613377613.db2.gz SLYFEGRLVBHMBC-JQWIXIFHSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccn(C)n2)C(C)(C)C1 ZINC000977589790 613379856 /nfs/dbraw/zinc/37/98/56/613379856.db2.gz RGUKVTVLABIYBD-GFCCVEGCSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccn(C)n2)C(C)(C)C1 ZINC000977589790 613379857 /nfs/dbraw/zinc/37/98/57/613379857.db2.gz RGUKVTVLABIYBD-GFCCVEGCSA-N 1 2 296.802 1.613 20 30 CDEDLO C=CCC[NH+]1CC(N(CC)C(=O)c2c[nH]cc3ncnc2-3)C1 ZINC000950385550 613481152 /nfs/dbraw/zinc/48/11/52/613481152.db2.gz YHMUJHDXQWDMGB-UHFFFAOYSA-N 1 2 299.378 1.680 20 30 CDEDLO C=CCC[NH+]1CCN(C(=O)c2cnc(COC)s2)CC1 ZINC000957939650 613511382 /nfs/dbraw/zinc/51/13/82/613511382.db2.gz QDIGRTSSRVQWGK-UHFFFAOYSA-N 1 2 295.408 1.623 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2cc3c([nH]c2=O)CCC3)CC1 ZINC000957665054 613567317 /nfs/dbraw/zinc/56/73/17/613567317.db2.gz BYYVKWFYJGBEBS-UHFFFAOYSA-N 1 2 299.374 1.057 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)F)C2)C1 ZINC000972216438 613570863 /nfs/dbraw/zinc/57/08/63/613570863.db2.gz WOUOXADZUOGAIA-OAHLLOKOSA-N 1 2 282.359 1.061 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)F)C2)C1 ZINC000972216438 613570867 /nfs/dbraw/zinc/57/08/67/613570867.db2.gz WOUOXADZUOGAIA-OAHLLOKOSA-N 1 2 282.359 1.061 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CO[C@H](C)C2)C1 ZINC000950673202 613654375 /nfs/dbraw/zinc/65/43/75/613654375.db2.gz SWQHUSWFYWZOMY-NEPJUHHUSA-N 1 2 252.358 1.130 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2(C)CC(F)(F)C2)CC1 ZINC000957291836 613706980 /nfs/dbraw/zinc/70/69/80/613706980.db2.gz YNEHIOPQQCJIFD-UHFFFAOYSA-N 1 2 258.312 1.752 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@H](C)c2c(C)n[nH]c2C)CC1 ZINC000948945218 613708939 /nfs/dbraw/zinc/70/89/39/613708939.db2.gz QOWQWGXPIZXYAU-LBPRGKRZSA-N 1 2 290.411 1.850 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc3c2O[C@H](C)C3)CC1 ZINC000949350980 613716968 /nfs/dbraw/zinc/71/69/68/613716968.db2.gz ZLNJNYMSSDGSSY-CYBMUJFWSA-N 1 2 286.375 1.954 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc3[nH]c(=O)[nH]c32)CC1 ZINC000948816043 613717011 /nfs/dbraw/zinc/71/70/11/613717011.db2.gz QQTJDHXGOFHQBR-UHFFFAOYSA-N 1 2 286.335 1.212 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccnn2[C@@H](C)CC)CC1 ZINC000948583982 613717439 /nfs/dbraw/zinc/71/74/39/613717439.db2.gz ILEXGKVCIICVJQ-ZDUSSCGKSA-N 1 2 276.384 1.798 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnn(-c3cccnc3)c2)CC1 ZINC000948739010 613718177 /nfs/dbraw/zinc/71/81/77/613718177.db2.gz URVAYMCJZUNTKH-UHFFFAOYSA-N 1 2 297.362 1.211 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cn(CCC)nc2C)CC1 ZINC000952399093 613718348 /nfs/dbraw/zinc/71/83/48/613718348.db2.gz DRIOKMZXJLVFDG-UHFFFAOYSA-N 1 2 276.384 1.545 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccco3)C2)C1 ZINC000972609689 613723688 /nfs/dbraw/zinc/72/36/88/613723688.db2.gz VPXHISGDPLIEGB-INIZCTEOSA-N 1 2 290.363 1.311 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccco3)C2)C1 ZINC000972609689 613723689 /nfs/dbraw/zinc/72/36/89/613723689.db2.gz VPXHISGDPLIEGB-INIZCTEOSA-N 1 2 290.363 1.311 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CC(C)C3)C2)C1 ZINC000972334107 613725206 /nfs/dbraw/zinc/72/52/06/613725206.db2.gz UWFGKRSVSLANMU-ZBCRRDGASA-N 1 2 278.396 1.522 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CC(C)C3)C2)C1 ZINC000972334107 613725209 /nfs/dbraw/zinc/72/52/09/613725209.db2.gz UWFGKRSVSLANMU-ZBCRRDGASA-N 1 2 278.396 1.522 20 30 CDEDLO C=CC[C@@H](CO)Nc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000893162556 617423300 /nfs/dbraw/zinc/42/33/00/617423300.db2.gz NFJCJJOQKOHXRE-QWRGUYRKSA-N 1 2 266.345 1.008 20 30 CDEDLO C=CC[C@@H](CO)Nc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000893162556 617423304 /nfs/dbraw/zinc/42/33/04/617423304.db2.gz NFJCJJOQKOHXRE-QWRGUYRKSA-N 1 2 266.345 1.008 20 30 CDEDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2csc(C#N)c2)C1 ZINC000892046749 617439452 /nfs/dbraw/zinc/43/94/52/617439452.db2.gz YBUCHORSTAGDGK-GFCCVEGCSA-N 1 2 299.421 1.133 20 30 CDEDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000892046749 617439454 /nfs/dbraw/zinc/43/94/54/617439454.db2.gz YBUCHORSTAGDGK-GFCCVEGCSA-N 1 2 299.421 1.133 20 30 CDEDLO C=CCOc1cccnc1C(=O)N(CC)C1C[NH+](CC)C1 ZINC000957113466 613884877 /nfs/dbraw/zinc/88/48/77/613884877.db2.gz LPFMBNQNQAPEKO-UHFFFAOYSA-N 1 2 289.379 1.813 20 30 CDEDLO C#CC[N@@H+](CC)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891805098 617600391 /nfs/dbraw/zinc/60/03/91/617600391.db2.gz DKLIGZSIBXHEBL-UHFFFAOYSA-N 1 2 264.281 1.764 20 30 CDEDLO C#CC[N@H+](CC)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891805098 617600393 /nfs/dbraw/zinc/60/03/93/617600393.db2.gz DKLIGZSIBXHEBL-UHFFFAOYSA-N 1 2 264.281 1.764 20 30 CDEDLO C=CCCCN(CC)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000891895797 617730885 /nfs/dbraw/zinc/73/08/85/617730885.db2.gz GEWRETROYPJVKG-CQSZACIVSA-N 1 2 283.416 1.705 20 30 CDEDLO Cc1c(C(=O)OCc2c[nH+]cn2C)cnn1CCC#N ZINC000892776189 617730975 /nfs/dbraw/zinc/73/09/75/617730975.db2.gz FVJTXVIGYVGQJV-UHFFFAOYSA-N 1 2 273.296 1.196 20 30 CDEDLO N#Cc1cncnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895348887 619592645 /nfs/dbraw/zinc/59/26/45/619592645.db2.gz GMIBFXFFFVFXMM-UHFFFAOYSA-N 1 2 280.335 1.824 20 30 CDEDLO C#CCSCC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000896131177 619999206 /nfs/dbraw/zinc/99/92/06/619999206.db2.gz CBJPVBCKRNXTAU-UHFFFAOYSA-N 1 2 262.334 1.038 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000896220879 620026887 /nfs/dbraw/zinc/02/68/87/620026887.db2.gz JZKITGRKNPCCTE-CQSZACIVSA-N 1 2 285.391 1.034 20 30 CDEDLO CCn1c[nH+]c2c1CCN(c1cc(C#N)cnn1)C2 ZINC000896654883 620184498 /nfs/dbraw/zinc/18/44/98/620184498.db2.gz PUKRLHINYKVDCH-UHFFFAOYSA-N 1 2 254.297 1.127 20 30 CDEDLO Cc1[nH]c(CNC(=O)Cc2ccc(OCC#N)cc2)[nH+]c1C ZINC000896920863 620309867 /nfs/dbraw/zinc/30/98/67/620309867.db2.gz VBFJTSOGCJWOBY-UHFFFAOYSA-N 1 2 298.346 1.788 20 30 CDEDLO C#CCSCC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000896977905 620329461 /nfs/dbraw/zinc/32/94/61/620329461.db2.gz FEDRYEKEHDUABV-STQMWFEESA-N 1 2 277.393 1.659 20 30 CDEDLO CC(C)CN(CCC#N)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000786837449 621036641 /nfs/dbraw/zinc/03/66/41/621036641.db2.gz ITLKAHFSAYYNFJ-ZDUSSCGKSA-N 1 2 274.368 1.844 20 30 CDEDLO C=C1C[NH+](C[C@H](O)COCc2ccccc2F)C1 ZINC000899901555 622518416 /nfs/dbraw/zinc/51/84/16/622518416.db2.gz OUKAMRXRPLBQLK-ZDUSSCGKSA-N 1 2 251.301 1.575 20 30 CDEDLO COCC(COC)O[NH+]=C(N)c1ccc(F)cc1 ZINC000902693407 625229943 /nfs/dbraw/zinc/22/99/43/625229943.db2.gz DQVSOJPURRFCFY-UHFFFAOYSA-N 1 2 256.277 1.124 20 30 CDEDLO C[C@H](NC(=O)c1ccsc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000906582938 627337111 /nfs/dbraw/zinc/33/71/11/627337111.db2.gz RIQSYWHOIHZZAT-QWRGUYRKSA-N 1 2 293.392 1.459 20 30 CDEDLO N#Cc1sccc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000906698012 627377145 /nfs/dbraw/zinc/37/71/45/627377145.db2.gz REYZGNCWCADWME-UHFFFAOYSA-N 1 2 258.306 1.513 20 30 CDEDLO N#CC1CCC(CNC(=O)CNc2cccc[nH+]2)CC1 ZINC000907994011 627963488 /nfs/dbraw/zinc/96/34/88/627963488.db2.gz WSCUMYATEKSVNM-UHFFFAOYSA-N 1 2 272.352 1.940 20 30 CDEDLO CN(CCO)c1ccc(C=[NH+]Nc2ccccn2)cc1 ZINC000916276163 631955573 /nfs/dbraw/zinc/95/55/73/631955573.db2.gz NPMPPZNEBSQFMC-UHFFFAOYSA-N 1 2 270.336 1.956 20 30 CDEDLO C[S@@](=O)c1c[nH]c2nc[nH+]c(NCC(C)(C)S)c12 ZINC001170301832 1162328682 /nfs/dbraw/zinc/32/86/82/1162328682.db2.gz FVGOTMUEZOSAFU-GOSISDBHSA-N 1 2 284.410 1.816 20 30 CDEDLO CCOC(=O)[C@@H](C#N)Nc1ccc([NH+](C)C)c(C)c1 ZINC001170371642 1162349710 /nfs/dbraw/zinc/34/97/10/1162349710.db2.gz WGTZHGRBDBMOSL-GFCCVEGCSA-N 1 2 261.325 1.928 20 30 CDEDLO C/C(=N\O)c1ccccc1OC[C@H]1C[N@H+](C)CCO1 ZINC000092057617 1158784663 /nfs/dbraw/zinc/78/46/63/1158784663.db2.gz KCSUBXRBBQLNJG-PKVLTRFUSA-N 1 2 264.325 1.594 20 30 CDEDLO C/C(=N\O)c1ccccc1OC[C@H]1C[N@@H+](C)CCO1 ZINC000092057617 1158784667 /nfs/dbraw/zinc/78/46/67/1158784667.db2.gz KCSUBXRBBQLNJG-PKVLTRFUSA-N 1 2 264.325 1.594 20 30 CDEDLO C[C@H]1CC[C@H](NC(=O)CSCC#N)C[N@@H+]1CCF ZINC001131831131 1163074775 /nfs/dbraw/zinc/07/47/75/1163074775.db2.gz YMZIQPIAPUINSX-QWRGUYRKSA-N 1 2 273.377 1.182 20 30 CDEDLO C[C@H]1CC[C@H](NC(=O)CSCC#N)C[N@H+]1CCF ZINC001131831131 1163074780 /nfs/dbraw/zinc/07/47/80/1163074780.db2.gz YMZIQPIAPUINSX-QWRGUYRKSA-N 1 2 273.377 1.182 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccc(C)o1 ZINC001032670994 1161416760 /nfs/dbraw/zinc/41/67/60/1161416760.db2.gz WPIKZNPHGXOQJG-ILXRZTDVSA-N 1 2 286.375 2.000 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccc(C)o1 ZINC001032670994 1161416761 /nfs/dbraw/zinc/41/67/61/1161416761.db2.gz WPIKZNPHGXOQJG-ILXRZTDVSA-N 1 2 286.375 2.000 20 30 CDEDLO C[C@@H](Nc1ccc(C#N)cn1)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001113154544 1162115699 /nfs/dbraw/zinc/11/56/99/1162115699.db2.gz FYTUDQGLPJKUJU-MNOVXSKESA-N 1 2 298.350 1.224 20 30 CDEDLO CCCc1nc(C[NH2+]CCCNC(=O)C#CC(C)C)no1 ZINC001157633282 1162248547 /nfs/dbraw/zinc/24/85/47/1162248547.db2.gz UJYXELTVELEAMQ-UHFFFAOYSA-N 1 2 292.383 1.277 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2nc(C)no2)cc1 ZINC001132226916 1163207754 /nfs/dbraw/zinc/20/77/54/1163207754.db2.gz SYXZDNZOLUJFJZ-LLVKDONJSA-N 1 2 298.346 1.440 20 30 CDEDLO C#Cc1cncc(C(=O)NCC[NH2+]Cc2ncc(CC)o2)c1 ZINC001133589542 1163800259 /nfs/dbraw/zinc/80/02/59/1163800259.db2.gz OQVXSAXINRNZCK-UHFFFAOYSA-N 1 2 298.346 1.133 20 30 CDEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2OC)CCCC1 ZINC001214003980 1167366633 /nfs/dbraw/zinc/36/66/33/1167366633.db2.gz FDEXPXPTWVKSKC-ZIAGYGMSSA-N 1 2 298.402 1.908 20 30 CDEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2OC)CCCC1 ZINC001214003980 1167366636 /nfs/dbraw/zinc/36/66/36/1167366636.db2.gz FDEXPXPTWVKSKC-ZIAGYGMSSA-N 1 2 298.402 1.908 20 30 CDEDLO Cc1cc(C[N@@H+]2CCCN(c3cnccc3C#N)CC2)no1 ZINC001645841261 1167531714 /nfs/dbraw/zinc/53/17/14/1167531714.db2.gz UNAVYOINWWDEKT-UHFFFAOYSA-N 1 2 297.362 1.962 20 30 CDEDLO Cc1cc(C[N@H+]2CCCN(c3cnccc3C#N)CC2)no1 ZINC001645841261 1167531718 /nfs/dbraw/zinc/53/17/18/1167531718.db2.gz UNAVYOINWWDEKT-UHFFFAOYSA-N 1 2 297.362 1.962 20 30 CDEDLO Cc1cccc2[nH+]c(CCNc3cncc(C#N)n3)cn21 ZINC001458466552 1167741553 /nfs/dbraw/zinc/74/15/53/1167741553.db2.gz CFZRXZANHCTWQC-UHFFFAOYSA-N 1 2 278.319 1.959 20 30 CDEDLO Cn1cc[nH+]c1Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1C ZINC001650268099 1170905613 /nfs/dbraw/zinc/90/56/13/1170905613.db2.gz WBKMSWHQKKZYRM-HNNXBMFYSA-N 1 2 299.382 1.269 20 30 CDEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC001602894142 1175446819 /nfs/dbraw/zinc/44/68/19/1175446819.db2.gz QORGBKLYRBPTBD-NSHDSACASA-N 1 2 298.350 1.149 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC001602894142 1175446821 /nfs/dbraw/zinc/44/68/21/1175446821.db2.gz QORGBKLYRBPTBD-NSHDSACASA-N 1 2 298.350 1.149 20 30 CDEDLO CC(=[NH+]Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(N)nc1 ZINC001602908433 1175449217 /nfs/dbraw/zinc/44/92/17/1175449217.db2.gz XLYKTLUIDOHLEH-UHFFFAOYSA-N 1 2 294.322 1.680 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CC(C)(C)O ZINC001717471211 1180691679 /nfs/dbraw/zinc/69/16/79/1180691679.db2.gz XMQFTQFMDSAIQM-JTQLQIEISA-N 1 2 262.781 1.336 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CC(C)(C)O ZINC001717471211 1180691682 /nfs/dbraw/zinc/69/16/82/1180691682.db2.gz XMQFTQFMDSAIQM-JTQLQIEISA-N 1 2 262.781 1.336 20 30 CDEDLO C#CCN1CC[NH+](CCNC(=O)[C@@H](C)C(C)(C)C)CC1 ZINC001752367588 1184854158 /nfs/dbraw/zinc/85/41/58/1184854158.db2.gz QJPGVIRVHOCWQY-CQSZACIVSA-N 1 2 279.428 1.036 20 30 CDEDLO CC#CCN1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC001752374311 1184854286 /nfs/dbraw/zinc/85/42/86/1184854286.db2.gz DAOTYNPMFQWANO-JKSUJKDBSA-N 1 2 291.439 1.036 20 30 CDEDLO C=C(C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1cn(C)nn1 ZINC001753105703 1185064179 /nfs/dbraw/zinc/06/41/79/1185064179.db2.gz HRYJYKGVRLDGAL-CQSZACIVSA-N 1 2 291.399 1.252 20 30 CDEDLO C=C(C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cn(C)nn1 ZINC001753105703 1185064185 /nfs/dbraw/zinc/06/41/85/1185064185.db2.gz HRYJYKGVRLDGAL-CQSZACIVSA-N 1 2 291.399 1.252 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COCCCCCC ZINC001753426605 1185199351 /nfs/dbraw/zinc/19/93/51/1185199351.db2.gz IKJOCIKNYRRZGM-HOTGVXAUSA-N 1 2 292.423 1.892 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COCCCCCC ZINC001753426605 1185199355 /nfs/dbraw/zinc/19/93/55/1185199355.db2.gz IKJOCIKNYRRZGM-HOTGVXAUSA-N 1 2 292.423 1.892 20 30 CDEDLO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)C2CC(C)C2)C1 ZINC001753657198 1185289004 /nfs/dbraw/zinc/28/90/04/1185289004.db2.gz JJVTUXRFQMGADP-NRXISQOPSA-N 1 2 296.411 1.052 20 30 CDEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)C2CC(C)C2)C1 ZINC001753657198 1185289005 /nfs/dbraw/zinc/28/90/05/1185289005.db2.gz JJVTUXRFQMGADP-NRXISQOPSA-N 1 2 296.411 1.052 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC=CCC1 ZINC001753847542 1185357143 /nfs/dbraw/zinc/35/71/43/1185357143.db2.gz YOZWMSXUUHPWGX-CQSZACIVSA-N 1 2 293.411 1.035 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC=CCC1 ZINC001753847542 1185357146 /nfs/dbraw/zinc/35/71/46/1185357146.db2.gz YOZWMSXUUHPWGX-CQSZACIVSA-N 1 2 293.411 1.035 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)CCCC)C1=O ZINC001754473382 1185632629 /nfs/dbraw/zinc/63/26/29/1185632629.db2.gz JJVOSODOLXEXRG-ZIAGYGMSSA-N 1 2 293.411 1.154 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)CCCC)C1=O ZINC001754473382 1185632630 /nfs/dbraw/zinc/63/26/30/1185632630.db2.gz JJVOSODOLXEXRG-ZIAGYGMSSA-N 1 2 293.411 1.154 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)COc1ccc(C)cc1 ZINC001754502959 1185647919 /nfs/dbraw/zinc/64/79/19/1185647919.db2.gz RACVJEIGVRRDNT-HNNXBMFYSA-N 1 2 286.375 1.588 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)COc1ccc(C)cc1 ZINC001754502959 1185647922 /nfs/dbraw/zinc/64/79/22/1185647922.db2.gz RACVJEIGVRRDNT-HNNXBMFYSA-N 1 2 286.375 1.588 20 30 CDEDLO C#CCC1(C(=O)N(C)C2C[NH+](CCO)C2)CCCCC1 ZINC001754588497 1185676668 /nfs/dbraw/zinc/67/66/68/1185676668.db2.gz YOOBODXEMWHHCV-UHFFFAOYSA-N 1 2 278.396 1.095 20 30 CDEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)COC ZINC001755074443 1185808092 /nfs/dbraw/zinc/80/80/92/1185808092.db2.gz ZCFOGSMHYPDGMH-MRXNPFEDSA-N 1 2 286.375 1.199 20 30 CDEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)COC ZINC001755074443 1185808098 /nfs/dbraw/zinc/80/80/98/1185808098.db2.gz ZCFOGSMHYPDGMH-MRXNPFEDSA-N 1 2 286.375 1.199 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCCC(C)C)C2)C1 ZINC001755400739 1185940614 /nfs/dbraw/zinc/94/06/14/1185940614.db2.gz AEOCKGVBYFYLOK-KRWDZBQOSA-N 1 2 292.423 1.749 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCCC(C)C)C2)C1 ZINC001755400739 1185940616 /nfs/dbraw/zinc/94/06/16/1185940616.db2.gz AEOCKGVBYFYLOK-KRWDZBQOSA-N 1 2 292.423 1.749 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC001771812940 1186885003 /nfs/dbraw/zinc/88/50/03/1186885003.db2.gz TXDLEICHLTUOQW-ZDUSSCGKSA-N 1 2 280.331 1.808 20 30 CDEDLO C#CCON=Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872374498 697664849 /nfs/dbraw/zinc/66/48/49/697664849.db2.gz CEODSFVQGSGACT-UHFFFAOYSA-N 1 2 288.347 1.381 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(C)c2)C1 ZINC001035285950 697680221 /nfs/dbraw/zinc/68/02/21/697680221.db2.gz ZPMAXXIOUYVBDX-HNNXBMFYSA-N 1 2 274.364 1.612 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cccc(C)c2)C1 ZINC001035285950 697680233 /nfs/dbraw/zinc/68/02/33/697680233.db2.gz ZPMAXXIOUYVBDX-HNNXBMFYSA-N 1 2 274.364 1.612 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C2CC3(CC3)C2)C1 ZINC001035497506 697745963 /nfs/dbraw/zinc/74/59/63/697745963.db2.gz AYBVEXLZZXIADP-CQSZACIVSA-N 1 2 278.396 1.570 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C2CC3(CC3)C2)C1 ZINC001035497506 697745972 /nfs/dbraw/zinc/74/59/72/697745972.db2.gz AYBVEXLZZXIADP-CQSZACIVSA-N 1 2 278.396 1.570 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnc(C)n1C ZINC001028098848 697747209 /nfs/dbraw/zinc/74/72/09/697747209.db2.gz WSXJNJXGIIRFFQ-GFCCVEGCSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc(C)n1C ZINC001028098848 697747214 /nfs/dbraw/zinc/74/72/14/697747214.db2.gz WSXJNJXGIIRFFQ-GFCCVEGCSA-N 1 2 296.802 1.675 20 30 CDEDLO CC(C)(O)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004426212 697769890 /nfs/dbraw/zinc/76/98/90/697769890.db2.gz PZIHMSAMAWDJQI-AWEZNQCLSA-N 1 2 293.411 1.374 20 30 CDEDLO CC(C)(O)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004426212 697769899 /nfs/dbraw/zinc/76/98/99/697769899.db2.gz PZIHMSAMAWDJQI-AWEZNQCLSA-N 1 2 293.411 1.374 20 30 CDEDLO C#CCN1CC(N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001042721555 697786510 /nfs/dbraw/zinc/78/65/10/697786510.db2.gz ICEHMALHBAYDCB-UHFFFAOYSA-N 1 2 282.347 1.032 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2c(C)nn(CC)c2C)C1 ZINC001044194779 697795076 /nfs/dbraw/zinc/79/50/76/697795076.db2.gz LVCBVWKUDFLAME-UHFFFAOYSA-N 1 2 290.411 1.391 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H]2CCOC[C@H]2OC)C1 ZINC001042894332 697812435 /nfs/dbraw/zinc/81/24/35/697812435.db2.gz 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ZINC001016428162 697840097 /nfs/dbraw/zinc/84/00/97/697840097.db2.gz SPLWPDYWXQFQBR-CHWSQXEVSA-N 1 2 298.814 1.746 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)ccc1OC ZINC001038988702 697843998 /nfs/dbraw/zinc/84/39/98/697843998.db2.gz KPWXMVWOLICAHV-GFCCVEGCSA-N 1 2 292.766 1.786 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)ccc1OC ZINC001038988702 697844001 /nfs/dbraw/zinc/84/40/01/697844001.db2.gz KPWXMVWOLICAHV-GFCCVEGCSA-N 1 2 292.766 1.786 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2sc(C)cc2OC)C1 ZINC001015790958 697854988 /nfs/dbraw/zinc/85/49/88/697854988.db2.gz WUCAKWKFAVCCSM-NSHDSACASA-N 1 2 278.377 1.502 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2sc(C)cc2OC)C1 ZINC001015790958 697854991 /nfs/dbraw/zinc/85/49/91/697854991.db2.gz WUCAKWKFAVCCSM-NSHDSACASA-N 1 2 278.377 1.502 20 30 CDEDLO CCOC(=O)C1CC[NH+](Cc2cncc(C#N)c2)CC1 ZINC000721573552 697856963 /nfs/dbraw/zinc/85/69/63/697856963.db2.gz WLUQEOSVGGQRDS-UHFFFAOYSA-N 1 2 273.336 1.728 20 30 CDEDLO C#CC[NH+]1CCC(N(C)C(=O)c2[nH]nc3ccccc32)CC1 ZINC001006357005 697898793 /nfs/dbraw/zinc/89/87/93/697898793.db2.gz LLOHZQOJDFKKGC-UHFFFAOYSA-N 1 2 296.374 1.733 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C1CCC1 ZINC001032543158 697899602 /nfs/dbraw/zinc/89/96/02/697899602.db2.gz KSTWWNRQLBEMBU-KBPBESRZSA-N 1 2 260.381 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C1CCC1 ZINC001032543158 697899604 /nfs/dbraw/zinc/89/96/04/697899604.db2.gz KSTWWNRQLBEMBU-KBPBESRZSA-N 1 2 260.381 1.731 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc[nH]c2C2CC2)C1 ZINC001035490019 697939306 /nfs/dbraw/zinc/93/93/06/697939306.db2.gz NHLSPLMAAGDAFU-ZDUSSCGKSA-N 1 2 289.379 1.509 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc[nH]c2C2CC2)C1 ZINC001035490019 697939312 /nfs/dbraw/zinc/93/93/12/697939312.db2.gz NHLSPLMAAGDAFU-ZDUSSCGKSA-N 1 2 289.379 1.509 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC001039010924 697961790 /nfs/dbraw/zinc/96/17/90/697961790.db2.gz 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/nfs/dbraw/zinc/29/78/86/698297886.db2.gz GVIMWOPCVMZUGO-AWEZNQCLSA-N 1 2 291.395 1.599 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CCCC1 ZINC001032709336 698308313 /nfs/dbraw/zinc/30/83/13/698308313.db2.gz ZEHDMLUHJDZFKM-KBPBESRZSA-N 1 2 260.381 1.875 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CCCC1 ZINC001032709336 698308317 /nfs/dbraw/zinc/30/83/17/698308317.db2.gz ZEHDMLUHJDZFKM-KBPBESRZSA-N 1 2 260.381 1.875 20 30 CDEDLO C[C@@H](CC#N)[NH2+]Cc1cc(=O)oc2cc(O)ccc12 ZINC000878818445 698313771 /nfs/dbraw/zinc/31/37/71/698313771.db2.gz RAAWZOFGCNBJIO-VIFPVBQESA-N 1 2 258.277 1.890 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C(/C)c2ccco2)CC1 ZINC000827527082 698314726 /nfs/dbraw/zinc/31/47/26/698314726.db2.gz RSKDXFCYDOYOIF-SEYXRHQNSA-N 1 2 258.321 1.460 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)C1(C#N)CC(C)C1 ZINC000928644519 698315340 /nfs/dbraw/zinc/31/53/40/698315340.db2.gz ZOFTVSOVUDKIIK-JVWICGRDSA-N 1 2 279.384 1.153 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2scnc2C)C1 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262.140 1.882 20 30 CDEDLO C=C(C)C[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(=O)OCC ZINC000881756238 704808617 /nfs/dbraw/zinc/80/86/17/704808617.db2.gz UUTROQALDRPSOI-DGCLKSJQSA-N 1 2 293.367 1.602 20 30 CDEDLO C=C(C)C[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(=O)OCC ZINC000881756238 704808625 /nfs/dbraw/zinc/80/86/25/704808625.db2.gz UUTROQALDRPSOI-DGCLKSJQSA-N 1 2 293.367 1.602 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c([nH]1)CCOC2 ZINC001032440301 704836978 /nfs/dbraw/zinc/83/69/78/704836978.db2.gz FUVUTCJGWSXJIM-KBPBESRZSA-N 1 2 299.374 1.009 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c([nH]1)CCOC2 ZINC001032440301 704836980 /nfs/dbraw/zinc/83/69/80/704836980.db2.gz FUVUTCJGWSXJIM-KBPBESRZSA-N 1 2 299.374 1.009 20 30 CDEDLO C#CCNC(=O)C[N@@H+](C)[C@H](COC)c1ccc(Cl)cc1 ZINC000786178219 704847110 /nfs/dbraw/zinc/84/71/10/704847110.db2.gz LAFSZQLPQFSMJC-CQSZACIVSA-N 1 2 294.782 1.709 20 30 CDEDLO C#CCNC(=O)C[N@H+](C)[C@H](COC)c1ccc(Cl)cc1 ZINC000786178219 704847114 /nfs/dbraw/zinc/84/71/14/704847114.db2.gz LAFSZQLPQFSMJC-CQSZACIVSA-N 1 2 294.782 1.709 20 30 CDEDLO CSCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004331973 704851773 /nfs/dbraw/zinc/85/17/73/704851773.db2.gz OPAHJQJDTHYWBO-ZDUSSCGKSA-N 1 2 281.425 1.576 20 30 CDEDLO CSCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004331973 704851777 /nfs/dbraw/zinc/85/17/77/704851777.db2.gz OPAHJQJDTHYWBO-ZDUSSCGKSA-N 1 2 281.425 1.576 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(-c3ccoc3)n[nH]2)C1 ZINC001031391060 704859771 /nfs/dbraw/zinc/85/97/71/704859771.db2.gz CLNCVKWFGHERAC-UHFFFAOYSA-N 1 2 286.335 1.660 20 30 CDEDLO Cc1nnc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H](C)C#N)o1 ZINC001024902673 704859958 /nfs/dbraw/zinc/85/99/58/704859958.db2.gz XMUQHVDSBYFWNH-ZYHUDNBSSA-N 1 2 291.355 1.008 20 30 CDEDLO Cc1nc(N[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)cc[nH+]1 ZINC001067090046 704863618 /nfs/dbraw/zinc/86/36/18/704863618.db2.gz TVNSEGVLDZABMS-RISCZKNCSA-N 1 2 284.363 1.457 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cn(C)nc2C)C1 ZINC001046192537 704874438 /nfs/dbraw/zinc/87/44/38/704874438.db2.gz OCARMZHAHHVXCO-CQSZACIVSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cn(C)nc2C)C1 ZINC001046192537 704874440 /nfs/dbraw/zinc/87/44/40/704874440.db2.gz OCARMZHAHHVXCO-CQSZACIVSA-N 1 2 296.802 1.675 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(F)c(F)c2F)C1 ZINC001043704304 704881332 /nfs/dbraw/zinc/88/13/32/704881332.db2.gz YESHNMSHBRBIPX-UHFFFAOYSA-N 1 2 296.292 1.883 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H](C)n2c(C)ccc2C)C1 ZINC001044335933 704884888 /nfs/dbraw/zinc/88/48/88/704884888.db2.gz RGHSFBFBSSEUNH-OAHLLOKOSA-N 1 2 287.407 1.832 20 30 CDEDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2ccc(C#N)o2)CC1 ZINC000815716043 704927723 /nfs/dbraw/zinc/92/77/23/704927723.db2.gz FYYAAIFHOAXKIJ-UHFFFAOYSA-N 1 2 297.305 1.953 20 30 CDEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2ccc(C#N)o2)CC1 ZINC000815716043 704927740 /nfs/dbraw/zinc/92/77/40/704927740.db2.gz 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C#CC[NH+](CC#C)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851794160 705278630 /nfs/dbraw/zinc/27/86/30/705278630.db2.gz PQMYVOHNQBVGDP-CQSZACIVSA-N 1 2 292.379 1.191 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC001006987300 705279206 /nfs/dbraw/zinc/27/92/06/705279206.db2.gz YBYVIKTUIFZEFO-QWHCGFSZSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC001006987300 705279211 /nfs/dbraw/zinc/27/92/11/705279211.db2.gz YBYVIKTUIFZEFO-QWHCGFSZSA-N 1 2 286.803 1.746 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2scnc2COC)C1 ZINC000923561802 705279467 /nfs/dbraw/zinc/27/94/67/705279467.db2.gz MLGMLUBSQGRVCK-NSHDSACASA-N 1 2 293.392 1.117 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2scnc2COC)C1 ZINC000923561802 705279474 /nfs/dbraw/zinc/27/94/74/705279474.db2.gz MLGMLUBSQGRVCK-NSHDSACASA-N 1 2 293.392 1.117 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000874706490 1165656730 /nfs/dbraw/zinc/65/67/30/1165656730.db2.gz 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/nfs/dbraw/zinc/11/74/02/848117402.db2.gz FAFYSSINFLTTQR-QEJZJMRPSA-N 1 2 260.381 1.731 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000884103639 848141781 /nfs/dbraw/zinc/14/17/81/848141781.db2.gz PDLNVFCEBCIUDN-FRRDWIJNSA-N 1 2 280.368 1.224 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2ccccc2O1 ZINC001032687931 848148925 /nfs/dbraw/zinc/14/89/25/848148925.db2.gz BGRXCYABNFUZLQ-YQQAZPJKSA-N 1 2 296.370 1.299 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2ccccc2O1 ZINC001032687931 848148937 /nfs/dbraw/zinc/14/89/37/848148937.db2.gz BGRXCYABNFUZLQ-YQQAZPJKSA-N 1 2 296.370 1.299 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001039109201 848149443 /nfs/dbraw/zinc/14/94/43/848149443.db2.gz ZZQYOMUEJSTPIZ-CABCVRRESA-N 1 2 284.359 1.122 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001039109201 848149449 /nfs/dbraw/zinc/14/94/49/848149449.db2.gz ZZQYOMUEJSTPIZ-CABCVRRESA-N 1 2 284.359 1.122 20 30 CDEDLO 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ZINC000923570322 848313602 /nfs/dbraw/zinc/31/36/02/848313602.db2.gz QUSHWSXXVVTCKE-INIZCTEOSA-N 1 2 284.359 1.717 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C(C)=O)c2)C1 ZINC000923570322 848313612 /nfs/dbraw/zinc/31/36/12/848313612.db2.gz QUSHWSXXVVTCKE-INIZCTEOSA-N 1 2 284.359 1.717 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc3ccccn32)C1 ZINC001043170187 848322961 /nfs/dbraw/zinc/32/29/61/848322961.db2.gz SFVZSIKGYSJDKN-UHFFFAOYSA-N 1 2 282.347 1.114 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2c(Cl)cnn2CC)CC1 ZINC000857041120 848323129 /nfs/dbraw/zinc/32/31/29/848323129.db2.gz NEBDUXVDMZAEPT-UHFFFAOYSA-N 1 2 294.786 1.338 20 30 CDEDLO CC(=[NH+]N(C)[C@H](C)CO)c1cc(F)c(N)c(F)c1 ZINC000842538795 848383627 /nfs/dbraw/zinc/38/36/27/848383627.db2.gz OXSXWDKOVKHLFL-SSDOTTSWSA-N 1 2 257.284 1.584 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc(C)c1)CO2 ZINC001053729714 848421934 /nfs/dbraw/zinc/42/19/34/848421934.db2.gz QVRDNLFZXPNFQO-MRXNPFEDSA-N 1 2 298.386 1.591 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ccnn3C)C2)C1 ZINC001015674140 848451939 /nfs/dbraw/zinc/45/19/39/848451939.db2.gz VTOHLWHCTAIBRB-ZDUSSCGKSA-N 1 2 288.395 1.467 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ccnn3C)C2)C1 ZINC001015674140 848451947 /nfs/dbraw/zinc/45/19/47/848451947.db2.gz VTOHLWHCTAIBRB-ZDUSSCGKSA-N 1 2 288.395 1.467 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001046554475 848465549 /nfs/dbraw/zinc/46/55/49/848465549.db2.gz QHDMXYDTONHHBF-OWTLIXCDSA-N 1 2 284.787 1.212 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001046554475 848465555 /nfs/dbraw/zinc/46/55/55/848465555.db2.gz QHDMXYDTONHHBF-OWTLIXCDSA-N 1 2 284.787 1.212 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2C(C)(C)C2(C)C)C1 ZINC001035330917 848494450 /nfs/dbraw/zinc/49/44/50/848494450.db2.gz SJEXWDUCUTYDRB-GFCCVEGCSA-N 1 2 280.412 1.672 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C2C(C)(C)C2(C)C)C1 ZINC001035330917 848494454 /nfs/dbraw/zinc/49/44/54/848494454.db2.gz SJEXWDUCUTYDRB-GFCCVEGCSA-N 1 2 280.412 1.672 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c(C)n[nH]c2C)C1 ZINC001035547808 848585076 /nfs/dbraw/zinc/58/50/76/848585076.db2.gz NILVILJOWKHKLA-CYBMUJFWSA-N 1 2 292.383 1.033 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2c(C)n[nH]c2C)C1 ZINC001035547808 848585082 /nfs/dbraw/zinc/58/50/82/848585082.db2.gz NILVILJOWKHKLA-CYBMUJFWSA-N 1 2 292.383 1.033 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2n1CCCCC2 ZINC001038408847 848594390 /nfs/dbraw/zinc/59/43/90/848594390.db2.gz JGDZXURXWQQCHA-CYBMUJFWSA-N 1 2 286.379 1.047 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2n1CCCCC2 ZINC001038408847 848594397 /nfs/dbraw/zinc/59/43/97/848594397.db2.gz JGDZXURXWQQCHA-CYBMUJFWSA-N 1 2 286.379 1.047 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1oc(C)cc1C ZINC001032341223 848617324 /nfs/dbraw/zinc/61/73/24/848617324.db2.gz OIAKOJVWKNTFCA-KBPBESRZSA-N 1 2 272.348 1.818 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1oc(C)cc1C ZINC001032341223 848617330 /nfs/dbraw/zinc/61/73/30/848617330.db2.gz OIAKOJVWKNTFCA-KBPBESRZSA-N 1 2 272.348 1.818 20 30 CDEDLO C=CCCCCCOC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000805467798 848627782 /nfs/dbraw/zinc/62/77/82/848627782.db2.gz BDTFOPIXAKBAMU-CYBMUJFWSA-N 1 2 255.358 1.997 20 30 CDEDLO C=CCCCCCOC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000805467798 848627786 /nfs/dbraw/zinc/62/77/86/848627786.db2.gz BDTFOPIXAKBAMU-CYBMUJFWSA-N 1 2 255.358 1.997 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001010806383 848645190 /nfs/dbraw/zinc/64/51/90/848645190.db2.gz PDYVOYKDFBCOLD-GUBZILKMSA-N 1 2 278.730 1.831 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001010806383 848645194 /nfs/dbraw/zinc/64/51/94/848645194.db2.gz PDYVOYKDFBCOLD-GUBZILKMSA-N 1 2 278.730 1.831 20 30 CDEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cnc(CC)s2)C1 ZINC001009681089 848657626 /nfs/dbraw/zinc/65/76/26/848657626.db2.gz KINNGUOWHCKCKK-LBPRGKRZSA-N 1 2 291.420 1.923 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc(CC)s2)C1 ZINC001009681089 848657628 /nfs/dbraw/zinc/65/76/28/848657628.db2.gz KINNGUOWHCKCKK-LBPRGKRZSA-N 1 2 291.420 1.923 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccccn2)C1 ZINC001032867956 848687343 /nfs/dbraw/zinc/68/73/43/848687343.db2.gz RXONROKQECCZLM-GFCCVEGCSA-N 1 2 279.771 1.980 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccn2)C1 ZINC001032867956 848687349 /nfs/dbraw/zinc/68/73/49/848687349.db2.gz RXONROKQECCZLM-GFCCVEGCSA-N 1 2 279.771 1.980 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc(COC(C)C)no1 ZINC000930640148 848692701 /nfs/dbraw/zinc/69/27/01/848692701.db2.gz TUIHDZCTJNWTIN-MNOVXSKESA-N 1 2 267.329 1.428 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC3CCC3)C[C@@H]21 ZINC001074202446 848756861 /nfs/dbraw/zinc/75/68/61/848756861.db2.gz YFMZTXYYZAZTMP-JKSUJKDBSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC3CCC3)C[C@@H]21 ZINC001074202446 848756868 /nfs/dbraw/zinc/75/68/68/848756868.db2.gz YFMZTXYYZAZTMP-JKSUJKDBSA-N 1 2 290.407 1.502 20 30 CDEDLO C=CC[N@H+](CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[C@H](C)COC ZINC000853533040 848758448 /nfs/dbraw/zinc/75/84/48/848758448.db2.gz SLSUAVDJUPNEHE-MCIONIFRSA-N 1 2 292.379 1.418 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[C@H](C)COC ZINC000853533040 848758454 /nfs/dbraw/zinc/75/84/54/848758454.db2.gz SLSUAVDJUPNEHE-MCIONIFRSA-N 1 2 292.379 1.418 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc(OCC)no1 ZINC001038524875 848765075 /nfs/dbraw/zinc/76/50/75/848765075.db2.gz KCUKXJNZPJYWML-JTQLQIEISA-N 1 2 265.313 1.063 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(OCC)no1 ZINC001038524875 848765078 /nfs/dbraw/zinc/76/50/78/848765078.db2.gz KCUKXJNZPJYWML-JTQLQIEISA-N 1 2 265.313 1.063 20 30 CDEDLO C[C@@H](CC(=O)OCc1ccnc(C#N)c1)n1cc[nH+]c1 ZINC000845282324 848798906 /nfs/dbraw/zinc/79/89/06/848798906.db2.gz NVSLCOSJEFZTFS-NSHDSACASA-N 1 2 270.292 1.844 20 30 CDEDLO C=C(Cl)C[N@H+](CCO)CCOCC(F)(F)F ZINC000112412693 848801542 /nfs/dbraw/zinc/80/15/42/848801542.db2.gz ZVLQIUODJWKMAB-UHFFFAOYSA-N 1 2 261.671 1.612 20 30 CDEDLO C=C(Cl)C[N@@H+](CCO)CCOCC(F)(F)F ZINC000112412693 848801545 /nfs/dbraw/zinc/80/15/45/848801545.db2.gz ZVLQIUODJWKMAB-UHFFFAOYSA-N 1 2 261.671 1.612 20 30 CDEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3C[C@@H]3C)C2)CC1 ZINC001052066988 848805242 /nfs/dbraw/zinc/80/52/42/848805242.db2.gz AWFOETXGFQCBOX-XHSDSOJGSA-N 1 2 291.439 1.437 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)c1ccccc1C ZINC000884047707 848825849 /nfs/dbraw/zinc/82/58/49/848825849.db2.gz HLFXAOIIRIJPLK-ZDUSSCGKSA-N 1 2 290.363 1.795 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001038274474 848840372 /nfs/dbraw/zinc/84/03/72/848840372.db2.gz VVAXCMUPMZKNCL-QLFBSQMISA-N 1 2 269.348 1.009 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001038274474 848840374 /nfs/dbraw/zinc/84/03/74/848840374.db2.gz VVAXCMUPMZKNCL-QLFBSQMISA-N 1 2 269.348 1.009 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2cscn2)C1 ZINC001027330379 848858040 /nfs/dbraw/zinc/85/80/40/848858040.db2.gz OOXNYTZBRDEZEM-AAEUAGOBSA-N 1 2 292.408 1.726 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2cscn2)C1 ZINC001027330379 848858043 /nfs/dbraw/zinc/85/80/43/848858043.db2.gz OOXNYTZBRDEZEM-AAEUAGOBSA-N 1 2 292.408 1.726 20 30 CDEDLO Cc1cn(C(C)(C)C(=O)N2CCC[C@@H](NCC#N)C2)c[nH+]1 ZINC000999480070 848891283 /nfs/dbraw/zinc/89/12/83/848891283.db2.gz BXXMBNQZZQCZJL-CYBMUJFWSA-N 1 2 289.383 1.031 20 30 CDEDLO COc1cc2c(cc1C=NNc1[nH+]ccn1C)OCO2 ZINC000790302618 848894261 /nfs/dbraw/zinc/89/42/61/848894261.db2.gz VZJXHIVGFGFQHX-UHFFFAOYSA-N 1 2 274.280 1.603 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(C3CC3)nn2C)C1 ZINC001030382520 848923075 /nfs/dbraw/zinc/92/30/75/848923075.db2.gz HGAISTWRYDPHFU-UHFFFAOYSA-N 1 2 274.368 1.288 20 30 CDEDLO CC[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1cccc(C#N)c1O ZINC000926766811 848933824 /nfs/dbraw/zinc/93/38/24/848933824.db2.gz FZPFWKPIYVWDBP-HIFRSBDPSA-N 1 2 289.379 1.371 20 30 CDEDLO c1ccc(N2CCC(=NN[C@@H]3CCOC3)CC2)[nH+]c1 ZINC000788445720 848951139 /nfs/dbraw/zinc/95/11/39/848951139.db2.gz HWIVBXLICDDIQX-CYBMUJFWSA-N 1 2 260.341 1.416 20 30 CDEDLO C[C@@H](C#N)OCC[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000801922589 848976023 /nfs/dbraw/zinc/97/60/23/848976023.db2.gz MDXQCBYIDXBVJX-LBPRGKRZSA-N 1 2 296.392 1.451 20 30 CDEDLO C[C@@H](C#N)OCC[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000801922589 848976031 /nfs/dbraw/zinc/97/60/31/848976031.db2.gz MDXQCBYIDXBVJX-LBPRGKRZSA-N 1 2 296.392 1.451 20 30 CDEDLO C#CCSCC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000887849076 849015501 /nfs/dbraw/zinc/01/55/01/849015501.db2.gz FDLJGQBIKUVILT-UHFFFAOYSA-N 1 2 299.399 1.914 20 30 CDEDLO CCCCCCNC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000829968702 849017127 /nfs/dbraw/zinc/01/71/27/849017127.db2.gz KIAWXOVKXKVIKW-AWEZNQCLSA-N 1 2 267.373 1.033 20 30 CDEDLO CCCCCCNC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000829968702 849017132 /nfs/dbraw/zinc/01/71/32/849017132.db2.gz KIAWXOVKXKVIKW-AWEZNQCLSA-N 1 2 267.373 1.033 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccncc2F)C1 ZINC001035315146 849027148 /nfs/dbraw/zinc/02/71/48/849027148.db2.gz AUMGBCQYKDFVCV-GFCCVEGCSA-N 1 2 293.342 1.227 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccncc2F)C1 ZINC001035315146 849027155 /nfs/dbraw/zinc/02/71/55/849027155.db2.gz AUMGBCQYKDFVCV-GFCCVEGCSA-N 1 2 293.342 1.227 20 30 CDEDLO NC(Cc1cccnc1)=[NH+]OCCO[C@@H]1CCCCO1 ZINC000194719154 849056225 /nfs/dbraw/zinc/05/62/25/849056225.db2.gz QUQPDVROWXEOKB-CQSZACIVSA-N 1 2 279.340 1.456 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2C2OCCO2)nc1 ZINC000846797261 849082031 /nfs/dbraw/zinc/08/20/31/849082031.db2.gz QVVLKHHQUDHFJH-AWEZNQCLSA-N 1 2 273.336 1.681 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2C2OCCO2)nc1 ZINC000846797261 849082038 /nfs/dbraw/zinc/08/20/38/849082038.db2.gz QVVLKHHQUDHFJH-AWEZNQCLSA-N 1 2 273.336 1.681 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000836475572 849091172 /nfs/dbraw/zinc/09/11/72/849091172.db2.gz WXJVXPZSYCFWOP-LBPRGKRZSA-N 1 2 292.383 1.905 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1CCC(C)C ZINC000884325622 849094419 /nfs/dbraw/zinc/09/44/19/849094419.db2.gz WBKBYDWZLBQLFX-KGLIPLIRSA-N 1 2 296.411 1.860 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C(F)F)nc1 ZINC001038323549 849126087 /nfs/dbraw/zinc/12/60/87/849126087.db2.gz RFFBHWRQYIUGIU-NSHDSACASA-N 1 2 279.290 1.457 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(F)F)nc1 ZINC001038323549 849126092 /nfs/dbraw/zinc/12/60/92/849126092.db2.gz RFFBHWRQYIUGIU-NSHDSACASA-N 1 2 279.290 1.457 20 30 CDEDLO C=CCC1(O)CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000717462852 849180357 /nfs/dbraw/zinc/18/03/57/849180357.db2.gz YCSSWRKUNYSCIJ-UHFFFAOYSA-N 1 2 273.340 1.271 20 30 CDEDLO C[C@H]1CC(=O)N(C[N@H+](C)Cc2cccc(C#N)c2)C1 ZINC000113239982 849189030 /nfs/dbraw/zinc/18/90/30/849189030.db2.gz SHMPQXVQUVYQJG-LBPRGKRZSA-N 1 2 257.337 1.816 20 30 CDEDLO C[C@H]1CC(=O)N(C[N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC000113239982 849189044 /nfs/dbraw/zinc/18/90/44/849189044.db2.gz SHMPQXVQUVYQJG-LBPRGKRZSA-N 1 2 257.337 1.816 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2cnsn2)C(C)(C)C1 ZINC000995548717 849194546 /nfs/dbraw/zinc/19/45/46/849194546.db2.gz SDNJQJIJKXIXJD-ONGXEEELSA-N 1 2 293.396 1.024 20 30 CDEDLO C#CCOCC[N@@H+](C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000851776783 849198729 /nfs/dbraw/zinc/19/87/29/849198729.db2.gz AKCOWEMUGXTWMN-INIZCTEOSA-N 1 2 289.375 1.742 20 30 CDEDLO C#CCOCC[N@H+](C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000851776783 849198733 /nfs/dbraw/zinc/19/87/33/849198733.db2.gz AKCOWEMUGXTWMN-INIZCTEOSA-N 1 2 289.375 1.742 20 30 CDEDLO Cc1noc([C@@H]2CCCC[N@H+]2CCO[C@@H](C)C#N)n1 ZINC000796668375 849251573 /nfs/dbraw/zinc/25/15/73/849251573.db2.gz KPVUODHNLCUMDF-JQWIXIFHSA-N 1 2 264.329 1.834 20 30 CDEDLO Cc1noc([C@@H]2CCCC[N@@H+]2CCO[C@@H](C)C#N)n1 ZINC000796668375 849251581 /nfs/dbraw/zinc/25/15/81/849251581.db2.gz KPVUODHNLCUMDF-JQWIXIFHSA-N 1 2 264.329 1.834 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccsc1COC ZINC001038403650 849261359 /nfs/dbraw/zinc/26/13/59/849261359.db2.gz KRDJWBZKXLZOTC-LBPRGKRZSA-N 1 2 292.404 1.722 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccsc1COC ZINC001038403650 849261375 /nfs/dbraw/zinc/26/13/75/849261375.db2.gz KRDJWBZKXLZOTC-LBPRGKRZSA-N 1 2 292.404 1.722 20 30 CDEDLO Cc1ccc(C#N)cc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000932826415 849272873 /nfs/dbraw/zinc/27/28/73/849272873.db2.gz LICDPDFEGJJUFJ-UHFFFAOYSA-N 1 2 266.304 1.760 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1OCC[C@H]1C(C)C ZINC001038267036 849282430 /nfs/dbraw/zinc/28/24/30/849282430.db2.gz RLHMNYYPEHMKJG-ILXRZTDVSA-N 1 2 278.396 1.261 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1OCC[C@H]1C(C)C ZINC001038267036 849282440 /nfs/dbraw/zinc/28/24/40/849282440.db2.gz RLHMNYYPEHMKJG-ILXRZTDVSA-N 1 2 278.396 1.261 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2c(O)cccc2Cl)C1 ZINC000923562926 849325191 /nfs/dbraw/zinc/32/51/91/849325191.db2.gz OFDCKJTVZWXYSH-LLVKDONJSA-N 1 2 292.766 1.873 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c(O)cccc2Cl)C1 ZINC000923562926 849325197 /nfs/dbraw/zinc/32/51/97/849325197.db2.gz OFDCKJTVZWXYSH-LLVKDONJSA-N 1 2 292.766 1.873 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001008597982 849332171 /nfs/dbraw/zinc/33/21/71/849332171.db2.gz LTGLXWMPKWKZFH-SYQHCUMBSA-N 1 2 298.814 1.887 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001008597982 849332176 /nfs/dbraw/zinc/33/21/76/849332176.db2.gz LTGLXWMPKWKZFH-SYQHCUMBSA-N 1 2 298.814 1.887 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)C2CCOCC2)C1 ZINC001046099780 849379656 /nfs/dbraw/zinc/37/96/56/849379656.db2.gz SHMIDLHMJVTBKF-CQSZACIVSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)C2CCOCC2)C1 ZINC001046099780 849379668 /nfs/dbraw/zinc/37/96/68/849379668.db2.gz SHMIDLHMJVTBKF-CQSZACIVSA-N 1 2 286.803 1.746 20 30 CDEDLO C=CC[N@H+]1CCC[C@H](NC(=O)c2[nH]ncc2F)[C@H]1C ZINC000993740593 849406142 /nfs/dbraw/zinc/40/61/42/849406142.db2.gz JFXVZYLQEDPYJG-KOLCDFICSA-N 1 2 266.320 1.318 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)c2[nH]ncc2F)[C@H]1C ZINC000993740593 849406143 /nfs/dbraw/zinc/40/61/43/849406143.db2.gz JFXVZYLQEDPYJG-KOLCDFICSA-N 1 2 266.320 1.318 20 30 CDEDLO C#CC[C@@H]1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000888578498 849427747 /nfs/dbraw/zinc/42/77/47/849427747.db2.gz RJRXDZRCXMRWTG-CYBMUJFWSA-N 1 2 282.347 1.889 20 30 CDEDLO C#CC[C@H]([NH2+][C@H]1CCO[C@@H](C(C)C)C1)C(=O)OC ZINC000839169943 849442982 /nfs/dbraw/zinc/44/29/82/849442982.db2.gz VZJNPZKESUVLSY-RWMBFGLXSA-N 1 2 253.342 1.345 20 30 CDEDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCC1(CO)COC1 ZINC000127424362 849471639 /nfs/dbraw/zinc/47/16/39/849471639.db2.gz NETXCMCCASKLNB-UHFFFAOYSA-N 1 2 284.743 1.180 20 30 CDEDLO C#C[C@H](NC(=O)N[C@H](CC)C[NH+]1CCOCC1)C(C)C ZINC000922520080 849514259 /nfs/dbraw/zinc/51/42/59/849514259.db2.gz KCSZVBUEFWBCOB-KGLIPLIRSA-N 1 2 281.400 1.054 20 30 CDEDLO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1ccc(F)cc1C#N ZINC000931663998 849542060 /nfs/dbraw/zinc/54/20/60/849542060.db2.gz XTDIFRMCPWQLEJ-GFCCVEGCSA-N 1 2 261.300 1.312 20 30 CDEDLO N#Cc1cc(F)ccc1N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000877747085 849565549 /nfs/dbraw/zinc/56/55/49/849565549.db2.gz VGCNZHXNPCGBNQ-UHFFFAOYSA-N 1 2 285.326 1.743 20 30 CDEDLO CC#CCC[N@H+](CCO)Cc1cccnc1Cl ZINC000796557264 849582394 /nfs/dbraw/zinc/58/23/94/849582394.db2.gz OALIQLUJSAPLKS-UHFFFAOYSA-N 1 2 252.745 1.943 20 30 CDEDLO CC#CCC[N@@H+](CCO)Cc1cccnc1Cl ZINC000796557264 849582401 /nfs/dbraw/zinc/58/24/01/849582401.db2.gz OALIQLUJSAPLKS-UHFFFAOYSA-N 1 2 252.745 1.943 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@@H](C)CO3)cc2C1 ZINC001054274516 849612361 /nfs/dbraw/zinc/61/23/61/849612361.db2.gz IJAAWPFRFWACJZ-DYVFJYSZSA-N 1 2 298.386 1.677 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@@H](C)CO3)cc2C1 ZINC001054274516 849612385 /nfs/dbraw/zinc/61/23/85/849612385.db2.gz IJAAWPFRFWACJZ-DYVFJYSZSA-N 1 2 298.386 1.677 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnoc2C2CC2)C1 ZINC001044130525 849635468 /nfs/dbraw/zinc/63/54/68/849635468.db2.gz QWVFLSCIOMDQKC-UHFFFAOYSA-N 1 2 273.336 1.332 20 30 CDEDLO Cc1nc(C[N@@H+](C)[C@H]2CCN(C(=O)C#CC3CC3)C2)co1 ZINC000971511856 849682874 /nfs/dbraw/zinc/68/28/74/849682874.db2.gz SCELECFZFMXJQT-HNNXBMFYSA-N 1 2 287.363 1.429 20 30 CDEDLO Cc1nc(C[N@H+](C)[C@H]2CCN(C(=O)C#CC3CC3)C2)co1 ZINC000971511856 849682876 /nfs/dbraw/zinc/68/28/76/849682876.db2.gz SCELECFZFMXJQT-HNNXBMFYSA-N 1 2 287.363 1.429 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1cn(Cc2ccccc2)nn1)[C@H]1CCCO1 ZINC000775797253 849698914 /nfs/dbraw/zinc/69/89/14/849698914.db2.gz CATHFRRWYCXHOS-IAGOWNOFSA-N 1 2 296.374 1.597 20 30 CDEDLO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cc(CO)on1 ZINC000924638616 849752405 /nfs/dbraw/zinc/75/24/05/849752405.db2.gz FORJCKULGILEAR-JTQLQIEISA-N 1 2 257.293 1.889 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c[nH]nc2-c2ccco2)C1 ZINC001031409035 849772111 /nfs/dbraw/zinc/77/21/11/849772111.db2.gz DCRVRMKAIUKGKN-UHFFFAOYSA-N 1 2 286.335 1.660 20 30 CDEDLO Cc1ccc(N2CCN(c3cc[nH+]c(C)n3)CC2)c(C#N)n1 ZINC000882189102 849773895 /nfs/dbraw/zinc/77/38/95/849773895.db2.gz QWCOBYVQMXNRQO-UHFFFAOYSA-N 1 2 294.362 1.687 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CC(C)(C)C)C[C@@H]21 ZINC001074166118 849813562 /nfs/dbraw/zinc/81/35/62/849813562.db2.gz BGKRLQXPFLULRN-GJZGRUSLSA-N 1 2 292.423 1.748 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC(C)(C)C)C[C@@H]21 ZINC001074166118 849813568 /nfs/dbraw/zinc/81/35/68/849813568.db2.gz BGKRLQXPFLULRN-GJZGRUSLSA-N 1 2 292.423 1.748 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)cc1OC ZINC001032741240 849835662 /nfs/dbraw/zinc/83/56/62/849835662.db2.gz CXZSIDXPTZILFM-KBPBESRZSA-N 1 2 284.359 1.536 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)cc1OC ZINC001032741240 849835668 /nfs/dbraw/zinc/83/56/68/849835668.db2.gz CXZSIDXPTZILFM-KBPBESRZSA-N 1 2 284.359 1.536 20 30 CDEDLO C#Cc1cccc(CNC(=O)/C=C\C[NH+]2CCOCC2)c1 ZINC000868792452 849838215 /nfs/dbraw/zinc/83/82/15/849838215.db2.gz KWKOGUPJCRSCCU-DAXSKMNVSA-N 1 2 284.359 1.173 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)[C@H](C)CC ZINC000884394834 849846029 /nfs/dbraw/zinc/84/60/29/849846029.db2.gz OHQQZBZHKSWFEB-MNOVXSKESA-N 1 2 256.346 1.080 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ncc(Cl)cc2Cl)C1 ZINC001031143330 849868692 /nfs/dbraw/zinc/86/86/92/849868692.db2.gz VUKNWYFKQLKCQS-UHFFFAOYSA-N 1 2 298.173 1.826 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2cccnc2)C1 ZINC001042619273 849869394 /nfs/dbraw/zinc/86/93/94/849869394.db2.gz XLXRMAVBZHPOFV-UHFFFAOYSA-N 1 2 259.353 1.343 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cnccn2)CC[C@@H]1C ZINC001071321067 849891320 /nfs/dbraw/zinc/89/13/20/849891320.db2.gz CKAVMLJZFBYVEQ-NWDGAFQWSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cnccn2)CC[C@@H]1C ZINC001071321067 849891329 /nfs/dbraw/zinc/89/13/29/849891329.db2.gz CKAVMLJZFBYVEQ-NWDGAFQWSA-N 1 2 294.786 1.812 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(CCC)on1 ZINC001038860476 849903279 /nfs/dbraw/zinc/90/32/79/849903279.db2.gz DWGXFPOBKZBJSV-LLVKDONJSA-N 1 2 261.325 1.064 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(CCC)on1 ZINC001038860476 849903286 /nfs/dbraw/zinc/90/32/86/849903286.db2.gz DWGXFPOBKZBJSV-LLVKDONJSA-N 1 2 261.325 1.064 20 30 CDEDLO Cn1c[nH+]cc1CCOC(=O)Cc1ccc(OCC#N)cc1 ZINC000793254697 849962430 /nfs/dbraw/zinc/96/24/30/849962430.db2.gz DSCMBKHBEXGVEA-UHFFFAOYSA-N 1 2 299.330 1.651 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1conc1C(C)C ZINC001038339485 849972818 /nfs/dbraw/zinc/97/28/18/849972818.db2.gz HGUBRLPZYZMXHA-NSHDSACASA-N 1 2 263.341 1.788 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1conc1C(C)C ZINC001038339485 849972822 /nfs/dbraw/zinc/97/28/22/849972822.db2.gz HGUBRLPZYZMXHA-NSHDSACASA-N 1 2 263.341 1.788 20 30 CDEDLO O=C(C#CC1CC1)N1CCC[C@H]([NH2+]Cc2csnn2)C1 ZINC000999127560 850036016 /nfs/dbraw/zinc/03/60/16/850036016.db2.gz IELLZYGYLBQNLQ-LBPRGKRZSA-N 1 2 290.392 1.032 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](Nc2ncc(C(=O)OCC)s2)C1 ZINC000884611037 850072620 /nfs/dbraw/zinc/07/26/20/850072620.db2.gz BHKAIJCRXNTBKE-NSHDSACASA-N 1 2 293.392 1.829 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](Nc2ncc(C(=O)OCC)s2)C1 ZINC000884611037 850072634 /nfs/dbraw/zinc/07/26/34/850072634.db2.gz BHKAIJCRXNTBKE-NSHDSACASA-N 1 2 293.392 1.829 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnoc1C ZINC001032562509 850150186 /nfs/dbraw/zinc/15/01/86/850150186.db2.gz WGDMLFGQTFQRSX-KBPBESRZSA-N 1 2 289.379 1.980 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnoc1C ZINC001032562509 850150194 /nfs/dbraw/zinc/15/01/94/850150194.db2.gz WGDMLFGQTFQRSX-KBPBESRZSA-N 1 2 289.379 1.980 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccncc1 ZINC001050792752 850150695 /nfs/dbraw/zinc/15/06/95/850150695.db2.gz RQEAVZOQXHFULF-CQSZACIVSA-N 1 2 275.352 1.088 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccncc1 ZINC001050792752 850150702 /nfs/dbraw/zinc/15/07/02/850150702.db2.gz RQEAVZOQXHFULF-CQSZACIVSA-N 1 2 275.352 1.088 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2cccn2)[C@@H]1C ZINC000993017232 850163565 /nfs/dbraw/zinc/16/35/65/850163565.db2.gz XHCXBANCFPKFSV-STQMWFEESA-N 1 2 296.802 1.605 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2cccn2)[C@@H]1C ZINC000993017232 850163569 /nfs/dbraw/zinc/16/35/69/850163569.db2.gz XHCXBANCFPKFSV-STQMWFEESA-N 1 2 296.802 1.605 20 30 CDEDLO CC(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001038002148 850194512 /nfs/dbraw/zinc/19/45/12/850194512.db2.gz IQYPGSXGFNZNLA-HNNXBMFYSA-N 1 2 260.312 1.388 20 30 CDEDLO CC(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001038002148 850194516 /nfs/dbraw/zinc/19/45/16/850194516.db2.gz IQYPGSXGFNZNLA-HNNXBMFYSA-N 1 2 260.312 1.388 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cncs1 ZINC001017943088 850239738 /nfs/dbraw/zinc/23/97/38/850239738.db2.gz ZLICUYLWXAWUDY-BETUJISGSA-N 1 2 289.404 1.384 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cncs1 ZINC001017943088 850239747 /nfs/dbraw/zinc/23/97/47/850239747.db2.gz ZLICUYLWXAWUDY-BETUJISGSA-N 1 2 289.404 1.384 20 30 CDEDLO C#CC[N@H+]1CCCC[C@@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC001034453713 850246127 /nfs/dbraw/zinc/24/61/27/850246127.db2.gz QHNTZDNQVAVUGA-CYBMUJFWSA-N 1 2 296.374 1.780 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC001034453713 850246140 /nfs/dbraw/zinc/24/61/40/850246140.db2.gz QHNTZDNQVAVUGA-CYBMUJFWSA-N 1 2 296.374 1.780 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)C)C[C@H]21 ZINC001074389831 850273649 /nfs/dbraw/zinc/27/36/49/850273649.db2.gz JZIPVPOPUUERIV-ZIAGYGMSSA-N 1 2 278.396 1.358 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)C)C[C@H]21 ZINC001074389831 850273659 /nfs/dbraw/zinc/27/36/59/850273659.db2.gz JZIPVPOPUUERIV-ZIAGYGMSSA-N 1 2 278.396 1.358 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1coc(C)c1 ZINC001050890190 850324024 /nfs/dbraw/zinc/32/40/24/850324024.db2.gz CTUHUESORGYUNV-AWEZNQCLSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1coc(C)c1 ZINC001050890190 850324029 /nfs/dbraw/zinc/32/40/29/850324029.db2.gz CTUHUESORGYUNV-AWEZNQCLSA-N 1 2 278.352 1.595 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc3c(c2)ncn3C)C1 ZINC001043147074 850327474 /nfs/dbraw/zinc/32/74/74/850327474.db2.gz KQYVCJUPDVZBCS-UHFFFAOYSA-N 1 2 298.390 1.906 20 30 CDEDLO N#Cc1cccc(C[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)c1 ZINC000865412921 850338704 /nfs/dbraw/zinc/33/87/04/850338704.db2.gz XWJKFXAWGJDJHD-INIZCTEOSA-N 1 2 297.362 1.619 20 30 CDEDLO C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1cccc(C#N)c1O ZINC000883376327 850435122 /nfs/dbraw/zinc/43/51/22/850435122.db2.gz ILTTXESGRNQUPW-YUSALJHKSA-N 1 2 294.376 1.490 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001014437067 850445028 /nfs/dbraw/zinc/44/50/28/850445028.db2.gz RUJQXUFTSITQRP-CHWSQXEVSA-N 1 2 288.395 1.596 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001014437067 850445029 /nfs/dbraw/zinc/44/50/29/850445029.db2.gz RUJQXUFTSITQRP-CHWSQXEVSA-N 1 2 288.395 1.596 20 30 CDEDLO CN(CCC#N)c1ccc(C=[NH+]Nc2cnnn2C)cc1 ZINC000814981081 850451886 /nfs/dbraw/zinc/45/18/86/850451886.db2.gz VQSVKTWRWGYMNW-UHFFFAOYSA-N 1 2 283.339 1.611 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(F)c(OC)c1 ZINC001038733231 850456990 /nfs/dbraw/zinc/45/69/90/850456990.db2.gz DLAXUGISHZIMEC-LBPRGKRZSA-N 1 2 276.311 1.272 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(F)c(OC)c1 ZINC001038733231 850456996 /nfs/dbraw/zinc/45/69/96/850456996.db2.gz DLAXUGISHZIMEC-LBPRGKRZSA-N 1 2 276.311 1.272 20 30 CDEDLO C=CCC1(NC(=O)/C=C\C[NH+]2CCOCC2)CCCC1 ZINC000869275928 850475796 /nfs/dbraw/zinc/47/57/96/850475796.db2.gz GUBCOGNFMYIJFB-WAYWQWQTSA-N 1 2 278.396 1.880 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2CCC[C@@H](OC)C2)C1 ZINC001042874396 850496628 /nfs/dbraw/zinc/49/66/28/850496628.db2.gz MCSPOQLQDIFZHY-UKRRQHHQSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001095038254 912235850 /nfs/dbraw/zinc/23/58/50/912235850.db2.gz YNYCPEPHAPOARY-DOMZBBRYSA-N 1 2 290.367 1.125 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCC[C@@](O)(CF)C2)c1 ZINC001232673672 912373803 /nfs/dbraw/zinc/37/38/03/912373803.db2.gz KTQKASFENIUZGU-OAHLLOKOSA-N 1 2 278.327 1.950 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCCC[C@@](O)(CF)C2)c1 ZINC001232673672 912373813 /nfs/dbraw/zinc/37/38/13/912373813.db2.gz KTQKASFENIUZGU-OAHLLOKOSA-N 1 2 278.327 1.950 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](OCC)C(C)C ZINC001234234672 913380718 /nfs/dbraw/zinc/38/07/18/913380718.db2.gz JZOIWHWJGQEPTC-UONOGXRCSA-N 1 2 266.385 1.213 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](OCC)C(C)C ZINC001234234672 913380737 /nfs/dbraw/zinc/38/07/37/913380737.db2.gz JZOIWHWJGQEPTC-UONOGXRCSA-N 1 2 266.385 1.213 20 30 CDEDLO CCOc1ncc([NH+]=C(NO)c2ccccc2N)cn1 ZINC001175559267 913672410 /nfs/dbraw/zinc/67/24/10/913672410.db2.gz VVNPDOURMQQCTB-UHFFFAOYSA-N 1 2 273.296 1.515 20 30 CDEDLO C=CCN(CC[N@@H+]1CCc2ncn(C)c2C1)C(=O)OCC ZINC001209024692 894427580 /nfs/dbraw/zinc/42/75/80/894427580.db2.gz WIRMKVBNGPNLEV-UHFFFAOYSA-N 1 2 292.383 1.423 20 30 CDEDLO C=CCN(CC[N@H+]1CCc2ncn(C)c2C1)C(=O)OCC ZINC001209024692 894427581 /nfs/dbraw/zinc/42/75/81/894427581.db2.gz WIRMKVBNGPNLEV-UHFFFAOYSA-N 1 2 292.383 1.423 20 30 CDEDLO CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)C(C)(C)C#N ZINC001143407972 896255839 /nfs/dbraw/zinc/25/58/39/896255839.db2.gz LZIYMDKLDPHKPX-LBPRGKRZSA-N 1 2 281.400 1.399 20 30 CDEDLO C=CCCOCC(=O)N(C)[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001104596019 898777898 /nfs/dbraw/zinc/77/78/98/898777898.db2.gz WCUOCYAVORJGHR-GFCCVEGCSA-N 1 2 292.383 1.637 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CC(C)(C)O)C1 ZINC001409903554 914622628 /nfs/dbraw/zinc/62/26/28/914622628.db2.gz NIVKVKSAFWOFRR-JTQLQIEISA-N 1 2 274.792 1.336 20 30 CDEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](C)C#N)c2C1 ZINC001128263920 921234779 /nfs/dbraw/zinc/23/47/79/921234779.db2.gz IADZQBBWIZDIBW-LBPRGKRZSA-N 1 2 287.367 1.051 20 30 CDEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H](C)C#N)c2C1 ZINC001128263920 921234786 /nfs/dbraw/zinc/23/47/86/921234786.db2.gz IADZQBBWIZDIBW-LBPRGKRZSA-N 1 2 287.367 1.051 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](CC)OC ZINC001271976867 907061781 /nfs/dbraw/zinc/06/17/81/907061781.db2.gz ALYQQFPNNFWSOG-LLVKDONJSA-N 1 2 262.781 1.554 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](CC)OC ZINC001271976867 907061789 /nfs/dbraw/zinc/06/17/89/907061789.db2.gz ALYQQFPNNFWSOG-LLVKDONJSA-N 1 2 262.781 1.554 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)F)[C@H](O)C1 ZINC001090001359 921306052 /nfs/dbraw/zinc/30/60/52/921306052.db2.gz NGUJDXZIUJAOTQ-NXEZZACHSA-N 1 2 278.755 1.038 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)F)[C@H](O)C1 ZINC001090001359 921306053 /nfs/dbraw/zinc/30/60/53/921306053.db2.gz NGUJDXZIUJAOTQ-NXEZZACHSA-N 1 2 278.755 1.038 20 30 CDEDLO C=CC[C@@H]([NH2+][C@@H]1Cc2ccc(OC)cc2C1)C(=O)OC ZINC001168242232 907968931 /nfs/dbraw/zinc/96/89/31/907968931.db2.gz WPRDROLYRHUNFV-UKRRQHHQSA-N 1 2 275.348 1.870 20 30 CDEDLO C=CC(C)(C)CC(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093917455 910200832 /nfs/dbraw/zinc/20/08/32/910200832.db2.gz DIWWDCVDDILSIP-UHFFFAOYSA-N 1 2 262.357 1.915 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1cscn1 ZINC001409645990 910593550 /nfs/dbraw/zinc/59/35/50/910593550.db2.gz UOOAVKXLSAAAKE-JTQLQIEISA-N 1 2 287.816 1.875 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1cscn1 ZINC001409645990 910593556 /nfs/dbraw/zinc/59/35/56/910593556.db2.gz UOOAVKXLSAAAKE-JTQLQIEISA-N 1 2 287.816 1.875 20 30 CDEDLO C#Cc1cccc(CNC(=O)Cc2c[nH+]cn2C)c1 ZINC001161803419 921638662 /nfs/dbraw/zinc/63/86/62/921638662.db2.gz IYTOSVNCWMUXDJ-UHFFFAOYSA-N 1 2 253.305 1.260 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(Cl)c[nH]2)C1 ZINC001030103071 911494405 /nfs/dbraw/zinc/49/44/05/911494405.db2.gz BDFULSNWFBDXKU-UHFFFAOYSA-N 1 2 251.717 1.105 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001106066572 912135964 /nfs/dbraw/zinc/13/59/64/912135964.db2.gz HDESNCKPGMPKDJ-STQMWFEESA-N 1 2 292.383 1.276 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)Cc2cccnc2)CC1 ZINC001178057764 915133243 /nfs/dbraw/zinc/13/32/43/915133243.db2.gz MPWGZPBNSATKQH-UHFFFAOYSA-N 1 2 287.407 1.981 20 30 CDEDLO N#Cc1ccnc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC001178100031 915164753 /nfs/dbraw/zinc/16/47/53/915164753.db2.gz AUFIDTSFOPHEIH-NSHDSACASA-N 1 2 267.292 1.351 20 30 CDEDLO COc1ccccc1Cn1c[nH+]cc1CNC(=O)[C@H](C)C#N ZINC001179900808 916041049 /nfs/dbraw/zinc/04/10/49/916041049.db2.gz DGESNBJJTDKSCW-GFCCVEGCSA-N 1 2 298.346 1.716 20 30 CDEDLO C#CCCCCC(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001097766358 936376424 /nfs/dbraw/zinc/37/64/24/936376424.db2.gz LBNRHDKBDKFLIA-GFCCVEGCSA-N 1 2 274.368 1.895 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccncn1 ZINC001485367265 916889811 /nfs/dbraw/zinc/88/98/11/916889811.db2.gz ZHUHXAFGENBKLZ-JTQLQIEISA-N 1 2 268.748 1.279 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccncn1 ZINC001485367265 916889817 /nfs/dbraw/zinc/88/98/17/916889817.db2.gz ZHUHXAFGENBKLZ-JTQLQIEISA-N 1 2 268.748 1.279 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccn(C)n1 ZINC001485385241 916932355 /nfs/dbraw/zinc/93/23/55/916932355.db2.gz DQBAOAJBFIYZRM-JTQLQIEISA-N 1 2 270.764 1.223 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccn(C)n1 ZINC001485385241 916932364 /nfs/dbraw/zinc/93/23/64/916932364.db2.gz DQBAOAJBFIYZRM-JTQLQIEISA-N 1 2 270.764 1.223 20 30 CDEDLO COc1ccc(C[N@@H+]2CCOC[C@](C)(O)C2)c(C#N)c1 ZINC001137699550 936391312 /nfs/dbraw/zinc/39/13/12/936391312.db2.gz LMINOWMYVZNHBQ-OAHLLOKOSA-N 1 2 276.336 1.150 20 30 CDEDLO COc1ccc(C[N@H+]2CCOC[C@](C)(O)C2)c(C#N)c1 ZINC001137699550 936391316 /nfs/dbraw/zinc/39/13/16/936391316.db2.gz LMINOWMYVZNHBQ-OAHLLOKOSA-N 1 2 276.336 1.150 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2csnn2)C1 ZINC001181517956 917163545 /nfs/dbraw/zinc/16/35/45/917163545.db2.gz RQMPFHPZYULXTC-WDEREUQCSA-N 1 2 280.397 1.756 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](CO)c2ccccc2)CC1 ZINC001181924197 917475948 /nfs/dbraw/zinc/47/59/48/917475948.db2.gz MWYXEHDNZINABR-OAHLLOKOSA-N 1 2 274.364 1.093 20 30 CDEDLO CCC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001099546463 917560248 /nfs/dbraw/zinc/56/02/48/917560248.db2.gz FGWZYEQUYRJIEG-UHFFFAOYSA-N 1 2 257.337 1.612 20 30 CDEDLO C=CC[NH+]1CC(n2cc(CNC(=O)/C=C(\C)CC)nn2)C1 ZINC001107167659 918238147 /nfs/dbraw/zinc/23/81/47/918238147.db2.gz FQCZPDBSFNOUSS-KPKJPENVSA-N 1 2 289.383 1.293 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(F)cc2)C1 ZINC001107690623 918629884 /nfs/dbraw/zinc/62/98/84/918629884.db2.gz FLLUSRQARQPQPU-INIZCTEOSA-N 1 2 292.354 1.832 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(F)cc2)C1 ZINC001107690623 918629894 /nfs/dbraw/zinc/62/98/94/918629894.db2.gz FLLUSRQARQPQPU-INIZCTEOSA-N 1 2 292.354 1.832 20 30 CDEDLO C[C@H](CNc1ccc(C#N)cn1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001107707346 918656786 /nfs/dbraw/zinc/65/67/86/918656786.db2.gz NIBYKFVEGVJMSX-LLVKDONJSA-N 1 2 298.350 1.226 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CC2CCCC2)C1 ZINC001107708408 918657531 /nfs/dbraw/zinc/65/75/31/918657531.db2.gz YPKIRUYYZFEHPL-QGZVFWFLSA-N 1 2 292.423 1.797 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CC2CCCC2)C1 ZINC001107708408 918657546 /nfs/dbraw/zinc/65/75/46/918657546.db2.gz YPKIRUYYZFEHPL-QGZVFWFLSA-N 1 2 292.423 1.797 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C(CC)CC)C1 ZINC001107756257 918743087 /nfs/dbraw/zinc/74/30/87/918743087.db2.gz XRQNNHPVKJQQLI-MRXNPFEDSA-N 1 2 280.412 1.653 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C(CC)CC)C1 ZINC001107756257 918743095 /nfs/dbraw/zinc/74/30/95/918743095.db2.gz XRQNNHPVKJQQLI-MRXNPFEDSA-N 1 2 280.412 1.653 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)/C=C(/C)C2CC2)C1 ZINC001107775074 918766962 /nfs/dbraw/zinc/76/69/62/918766962.db2.gz OTBFCPWANKFHAC-IVOILVROSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)/C=C(/C)C2CC2)C1 ZINC001107775074 918766971 /nfs/dbraw/zinc/76/69/71/918766971.db2.gz OTBFCPWANKFHAC-IVOILVROSA-N 1 2 278.396 1.736 20 30 CDEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ncccc2O)CC1 ZINC001138396337 936531778 /nfs/dbraw/zinc/53/17/78/936531778.db2.gz RIXUQZBXZUSHNX-UHFFFAOYSA-N 1 2 289.335 1.456 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)/C=C\c2ccc[nH]2)C1 ZINC001107897654 919020496 /nfs/dbraw/zinc/02/04/96/919020496.db2.gz MBNREYAZJWZNMY-MWWKQMNYSA-N 1 2 289.379 1.421 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)/C=C\c2ccc[nH]2)C1 ZINC001107897654 919020501 /nfs/dbraw/zinc/02/05/01/919020501.db2.gz MBNREYAZJWZNMY-MWWKQMNYSA-N 1 2 289.379 1.421 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cc(C)on2)C1=O ZINC001272773603 919227451 /nfs/dbraw/zinc/22/74/51/919227451.db2.gz XJFDOUOABHFIGO-OAHLLOKOSA-N 1 2 275.352 1.736 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(C)on2)C1=O ZINC001272773603 919227464 /nfs/dbraw/zinc/22/74/64/919227464.db2.gz XJFDOUOABHFIGO-OAHLLOKOSA-N 1 2 275.352 1.736 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001128087984 919852041 /nfs/dbraw/zinc/85/20/41/919852041.db2.gz HEFMLBLKROQDGP-NSHDSACASA-N 1 2 292.383 1.913 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC2(F)F)C1 ZINC001108017004 919956316 /nfs/dbraw/zinc/95/63/16/919956316.db2.gz LYUBIBUXSZWXGR-WCQYABFASA-N 1 2 288.338 1.425 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC2(F)F)C1 ZINC001108017004 919956326 /nfs/dbraw/zinc/95/63/26/919956326.db2.gz LYUBIBUXSZWXGR-WCQYABFASA-N 1 2 288.338 1.425 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)C2CCC2)C1 ZINC001108021166 919985529 /nfs/dbraw/zinc/98/55/29/919985529.db2.gz VJXMJRIJRXEDIZ-PBHICJAKSA-N 1 2 292.423 1.653 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)C2CCC2)C1 ZINC001108021166 919985543 /nfs/dbraw/zinc/98/55/43/919985543.db2.gz VJXMJRIJRXEDIZ-PBHICJAKSA-N 1 2 292.423 1.653 20 30 CDEDLO C=C(C)Cc1ccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC001190231495 921909793 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/nfs/dbraw/zinc/48/23/06/926482306.db2.gz VMWQZBGMPDEHPL-AWEZNQCLSA-N 1 2 288.395 1.381 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(CCC)c1C ZINC001085891280 926482310 /nfs/dbraw/zinc/48/23/10/926482310.db2.gz VMWQZBGMPDEHPL-AWEZNQCLSA-N 1 2 288.395 1.381 20 30 CDEDLO COC(=O)C[N@H+](C)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142922777 937094335 /nfs/dbraw/zinc/09/43/35/937094335.db2.gz VQTNWNUTVCKASF-UHFFFAOYSA-N 1 2 257.293 1.644 20 30 CDEDLO COC(=O)C[N@@H+](C)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142922777 937094338 /nfs/dbraw/zinc/09/43/38/937094338.db2.gz VQTNWNUTVCKASF-UHFFFAOYSA-N 1 2 257.293 1.644 20 30 CDEDLO C#CCCCC(=O)NC[C@@H](CC)Nc1cc[nH+]c(C)n1 ZINC001103072627 937120646 /nfs/dbraw/zinc/12/06/46/937120646.db2.gz ZJBUOVNUQADQDI-CYBMUJFWSA-N 1 2 274.368 1.895 20 30 CDEDLO COc1nc(C)nc(-c2c[nH+]c(N)cc2C)c1C#N ZINC001242072902 927325744 /nfs/dbraw/zinc/32/57/44/927325744.db2.gz TWSIUPCJHPLDHD-UHFFFAOYSA-N 1 2 255.281 1.618 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ncccc2F)C1 ZINC001108301351 927363111 /nfs/dbraw/zinc/36/31/11/927363111.db2.gz QMCNNFIKUNZVBX-OAHLLOKOSA-N 1 2 293.342 1.227 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ncccc2F)C1 ZINC001108301351 927363128 /nfs/dbraw/zinc/36/31/28/927363128.db2.gz QMCNNFIKUNZVBX-OAHLLOKOSA-N 1 2 293.342 1.227 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)COC)C1 ZINC001108312792 927384408 /nfs/dbraw/zinc/38/44/08/927384408.db2.gz QHPHECNAUQSTBR-HIFRSBDPSA-N 1 2 284.400 1.052 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)COC)C1 ZINC001108312792 927384420 /nfs/dbraw/zinc/38/44/20/927384420.db2.gz QHPHECNAUQSTBR-HIFRSBDPSA-N 1 2 284.400 1.052 20 30 CDEDLO C=CC[N@@H+]1CCCO[C@@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001149744500 937202556 /nfs/dbraw/zinc/20/25/56/937202556.db2.gz BGJMRIDWLZTHMN-UWVGGRQHSA-N 1 2 298.280 1.280 20 30 CDEDLO C=CC[N@H+]1CCCO[C@@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001149744500 937202557 /nfs/dbraw/zinc/20/25/57/937202557.db2.gz BGJMRIDWLZTHMN-UWVGGRQHSA-N 1 2 298.280 1.280 20 30 CDEDLO C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001149744500 937202558 /nfs/dbraw/zinc/20/25/58/937202558.db2.gz BGJMRIDWLZTHMN-UWVGGRQHSA-N 1 2 298.280 1.280 20 30 CDEDLO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001149744500 937202559 /nfs/dbraw/zinc/20/25/59/937202559.db2.gz BGJMRIDWLZTHMN-UWVGGRQHSA-N 1 2 298.280 1.280 20 30 CDEDLO C=C(C)COCCNC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC001150437923 937230663 /nfs/dbraw/zinc/23/06/63/937230663.db2.gz BHQPHUNFZQGDGP-CABCVRRESA-N 1 2 298.427 1.585 20 30 CDEDLO C=C(C)COCCNC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC001150437923 937230666 /nfs/dbraw/zinc/23/06/66/937230666.db2.gz BHQPHUNFZQGDGP-CABCVRRESA-N 1 2 298.427 1.585 20 30 CDEDLO CC#CCCCC(=O)N[C@@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001109207860 928836935 /nfs/dbraw/zinc/83/69/35/928836935.db2.gz SNVCVUGFFZBRKM-ZDUSSCGKSA-N 1 2 288.395 1.920 20 30 CDEDLO C=CCN1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001151970717 937322887 /nfs/dbraw/zinc/32/28/87/937322887.db2.gz WYOLKSXAIXFLBT-UHFFFAOYSA-N 1 2 270.336 1.507 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001151970717 937322890 /nfs/dbraw/zinc/32/28/90/937322890.db2.gz WYOLKSXAIXFLBT-UHFFFAOYSA-N 1 2 270.336 1.507 20 30 CDEDLO C=C[C@@H](C(=O)NCC[NH2+]Cc1cnon1)c1ccccc1 ZINC001151997389 937326221 /nfs/dbraw/zinc/32/62/21/937326221.db2.gz FFVHWXYBZKPZMB-CQSZACIVSA-N 1 2 286.335 1.245 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccoc2Cl)CC1 ZINC001112801331 929441536 /nfs/dbraw/zinc/44/15/36/929441536.db2.gz OHRUSCGBOSSZHB-UHFFFAOYSA-N 1 2 298.770 1.893 20 30 CDEDLO C=CCOCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nccs1 ZINC001152370384 937356546 /nfs/dbraw/zinc/35/65/46/937356546.db2.gz DDGVXZBXLBYXPB-GFCCVEGCSA-N 1 2 297.424 1.672 20 30 CDEDLO C=CCOCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccs1 ZINC001152370384 937356549 /nfs/dbraw/zinc/35/65/49/937356549.db2.gz DDGVXZBXLBYXPB-GFCCVEGCSA-N 1 2 297.424 1.672 20 30 CDEDLO CC[N@H+](Cc1nccc(C)n1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152450375 937363188 /nfs/dbraw/zinc/36/31/88/937363188.db2.gz ZNQYRFPBVFKJAL-DGCLKSJQSA-N 1 2 289.383 1.271 20 30 CDEDLO CC[N@@H+](Cc1nccc(C)n1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152450375 937363190 /nfs/dbraw/zinc/36/31/90/937363190.db2.gz ZNQYRFPBVFKJAL-DGCLKSJQSA-N 1 2 289.383 1.271 20 30 CDEDLO C[C@H](C[C@H](C)NC(=O)c1cccc2[nH+]ccn21)NCC#N ZINC001134968662 929984549 /nfs/dbraw/zinc/98/45/49/929984549.db2.gz FMLCLQUIMNOHNG-NEPJUHHUSA-N 1 2 285.351 1.344 20 30 CDEDLO O=C1C=C2C[N@H+]([C@H]3CCCOCC3)CC[C@@H]2S1 ZINC001170811464 930174014 /nfs/dbraw/zinc/17/40/14/930174014.db2.gz LXNIABAALNDMSR-RYUDHWBXSA-N 1 2 253.367 1.830 20 30 CDEDLO O=C1C=C2C[N@@H+]([C@H]3CCCOCC3)CC[C@@H]2S1 ZINC001170811464 930174022 /nfs/dbraw/zinc/17/40/22/930174022.db2.gz LXNIABAALNDMSR-RYUDHWBXSA-N 1 2 253.367 1.830 20 30 CDEDLO N#CCC[NH+]1CCC2(C[C@@H]2C(=O)NCc2ccncc2)CC1 ZINC001274032649 931134991 /nfs/dbraw/zinc/13/49/91/931134991.db2.gz UKXSGIXUTBJXEW-OAHLLOKOSA-N 1 2 298.390 1.714 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@H]1CCc2cccc(F)c2C1 ZINC001170986929 931160384 /nfs/dbraw/zinc/16/03/84/931160384.db2.gz XUVLCROLRPPELX-QWHCGFSZSA-N 1 2 259.328 1.480 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1nccc(NC)n1 ZINC001171067403 931483134 /nfs/dbraw/zinc/48/31/34/931483134.db2.gz CDTWPYNVLLWRHX-NSHDSACASA-N 1 2 293.371 1.157 20 30 CDEDLO N#Cc1cncc(C[N@H+]2CC3CC2(C(=O)N2CCCC2)C3)c1 ZINC001144080416 931650748 /nfs/dbraw/zinc/65/07/48/931650748.db2.gz LDCFUKAGXFBGRP-UHFFFAOYSA-N 1 2 296.374 1.540 20 30 CDEDLO N#Cc1cncc(C[N@@H+]2CC3CC2(C(=O)N2CCCC2)C3)c1 ZINC001144080416 931650753 /nfs/dbraw/zinc/65/07/53/931650753.db2.gz LDCFUKAGXFBGRP-UHFFFAOYSA-N 1 2 296.374 1.540 20 30 CDEDLO N#Cc1ccc(C[NH+]2CC3(C2)C[C@H](F)CS3)nc1 ZINC001144163398 931668296 /nfs/dbraw/zinc/66/82/96/931668296.db2.gz GFRMMMXSAXGDHY-NSHDSACASA-N 1 2 263.341 1.983 20 30 CDEDLO Cn1cc(NC(=O)c2cccc3[nH+]ccn32)c(C#N)n1 ZINC001154520674 937552957 /nfs/dbraw/zinc/55/29/57/937552957.db2.gz ZUUCJQGYUFUYBZ-UHFFFAOYSA-N 1 2 266.264 1.192 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)NCc1cccc(OCC#N)c1 ZINC001412540616 932480630 /nfs/dbraw/zinc/48/06/30/932480630.db2.gz LUIOYJXAMHFFBN-UHFFFAOYSA-N 1 2 284.319 1.479 20 30 CDEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1cc(N(C)C)cc(Cl)[nH+]1 ZINC001171364059 932867204 /nfs/dbraw/zinc/86/72/04/932867204.db2.gz VSBJSONSJYUJTQ-CPCISQLKSA-N 1 2 284.747 1.449 20 30 CDEDLO O=C1C=C(Nc2cccc(N3CCOCC3)[nH+]2)CCC1 ZINC001155709940 937667703 /nfs/dbraw/zinc/66/77/03/937667703.db2.gz GFXHVHMNIFRDSY-UHFFFAOYSA-N 1 2 273.336 1.967 20 30 CDEDLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C#N)cc1 ZINC000687262267 934264667 /nfs/dbraw/zinc/26/46/67/934264667.db2.gz YAEIMHYGUQZGQN-BETUJISGSA-N 1 2 291.376 1.025 20 30 CDEDLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C#N)cc1 ZINC000687262267 934264677 /nfs/dbraw/zinc/26/46/77/934264677.db2.gz YAEIMHYGUQZGQN-BETUJISGSA-N 1 2 291.376 1.025 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nonc3C)C[C@H]21 ZINC001114670997 934903134 /nfs/dbraw/zinc/90/31/34/934903134.db2.gz BHROUOIAQHRJKL-PJXYFTJBSA-N 1 2 290.367 1.137 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nonc3C)C[C@H]21 ZINC001114670997 934903137 /nfs/dbraw/zinc/90/31/37/934903137.db2.gz BHROUOIAQHRJKL-PJXYFTJBSA-N 1 2 290.367 1.137 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001114792349 934968115 /nfs/dbraw/zinc/96/81/15/934968115.db2.gz RKPHPLNVXKFWGG-JLNYLFASSA-N 1 2 290.367 1.218 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001114792349 934968118 /nfs/dbraw/zinc/96/81/18/934968118.db2.gz RKPHPLNVXKFWGG-JLNYLFASSA-N 1 2 290.367 1.218 20 30 CDEDLO Cc1noc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2C#N)n1 ZINC001412965744 935119162 /nfs/dbraw/zinc/11/91/62/935119162.db2.gz RZLAGLOEINXHLU-SNVBAGLBSA-N 1 2 299.334 1.929 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c(C)[nH]nc2Cl)C1 ZINC001042877709 935830266 /nfs/dbraw/zinc/83/02/66/935830266.db2.gz UCOXJGJQXCDDAH-UHFFFAOYSA-N 1 2 282.775 1.704 20 30 CDEDLO Cn1c[nH+]cc1CCCOC(=O)c1ccc(C#N)n1C ZINC001122973876 936095234 /nfs/dbraw/zinc/09/52/34/936095234.db2.gz MPMIUXRPCIQSBL-UHFFFAOYSA-N 1 2 272.308 1.420 20 30 CDEDLO C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)Nc1ncccc1C#N ZINC001120712451 937828225 /nfs/dbraw/zinc/82/82/25/937828225.db2.gz NYOODMRPTJSRFW-LLVKDONJSA-N 1 2 298.350 1.178 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@H](CC)OCC)n2C)CC1 ZINC001121387366 937869433 /nfs/dbraw/zinc/86/94/33/937869433.db2.gz WAWKZSZMSOLBQJ-ZDUSSCGKSA-N 1 2 291.399 1.058 20 30 CDEDLO C=C(C)C(=O)NCCCNc1nc(C)[nH+]c2c1CCC2 ZINC001156820515 938421254 /nfs/dbraw/zinc/42/12/54/938421254.db2.gz LVRXDRLEHODIQV-UHFFFAOYSA-N 1 2 274.368 1.768 20 30 CDEDLO N#Cc1nccnc1N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001158622742 938643187 /nfs/dbraw/zinc/64/31/87/938643187.db2.gz DFSQYOBFGWKJER-GFCCVEGCSA-N 1 2 293.321 1.658 20 30 CDEDLO COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1cc(CC#N)ccn1 ZINC001160695375 938815191 /nfs/dbraw/zinc/81/51/91/938815191.db2.gz DRCZZDZNJCWUKA-CYBMUJFWSA-N 1 2 299.334 1.077 20 30 CDEDLO COc1cc(Cl)ncc1N1CC[NH2+]C[C@@H]1C#N ZINC001164642304 939501156 /nfs/dbraw/zinc/50/11/56/939501156.db2.gz UOZNKZWVAIBOBS-QMMMGPOBSA-N 1 2 252.705 1.045 20 30 CDEDLO COC(=O)c1ccc2cc(N3CC[NH2+]C[C@H]3C#N)ncc2c1 ZINC001164652188 939502488 /nfs/dbraw/zinc/50/24/88/939502488.db2.gz PASVPMLFBKRQAM-CQSZACIVSA-N 1 2 296.330 1.323 20 30 CDEDLO COc1cccc2c1ccnc2N1CC[NH2+]C[C@H]1C#N ZINC001164662465 939502712 /nfs/dbraw/zinc/50/27/12/939502712.db2.gz YDWMZWCZKVAFPN-LLVKDONJSA-N 1 2 268.320 1.545 20 30 CDEDLO N#Cc1c[nH]c2cc[nH+]c(N3C[C@@H]4OCC(F)(F)[C@@H]4C3)c12 ZINC001165345185 939549669 /nfs/dbraw/zinc/54/96/69/939549669.db2.gz XHOINGJIAOBXJY-KOLCDFICSA-N 1 2 290.273 1.905 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@](O)(CF)[C@@H](F)C2)cc1 ZINC001203900347 939712507 /nfs/dbraw/zinc/71/25/07/939712507.db2.gz ZOKCLRQDIRXSKI-KBPBESRZSA-N 1 2 266.291 1.803 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@](O)(CF)[C@@H](F)C2)cc1 ZINC001203900347 939712508 /nfs/dbraw/zinc/71/25/08/939712508.db2.gz ZOKCLRQDIRXSKI-KBPBESRZSA-N 1 2 266.291 1.803 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC(=O)N3CCC[C@@H]3C2)cc1 ZINC001203905311 939712733 /nfs/dbraw/zinc/71/27/33/939712733.db2.gz IHAZARITTMROBG-CQSZACIVSA-N 1 2 255.321 1.365 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC(=O)N3CCC[C@@H]3C2)cc1 ZINC001203905311 939712735 /nfs/dbraw/zinc/71/27/35/939712735.db2.gz IHAZARITTMROBG-CQSZACIVSA-N 1 2 255.321 1.365 20 30 CDEDLO N#Cc1ccc(N2CCC[N@H+](Cc3ncc[nH]3)CC2)nc1 ZINC001203984117 939719235 /nfs/dbraw/zinc/71/92/35/939719235.db2.gz YHZDGCRNGKZVRU-UHFFFAOYSA-N 1 2 282.351 1.389 20 30 CDEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3ncc[nH]3)CC2)nc1 ZINC001203984117 939719236 /nfs/dbraw/zinc/71/92/36/939719236.db2.gz YHZDGCRNGKZVRU-UHFFFAOYSA-N 1 2 282.351 1.389 20 30 CDEDLO CCOC(=O)C1(C#N)CCN(Cc2[nH]c[nH+]c2C)CC1 ZINC001204593316 939780397 /nfs/dbraw/zinc/78/03/97/939780397.db2.gz VWUFQGJFSCJUBW-UHFFFAOYSA-N 1 2 276.340 1.387 20 30 CDEDLO C=CCCC(=O)N1CCC[C@@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC001207635168 940224350 /nfs/dbraw/zinc/22/43/50/940224350.db2.gz ITHKYJNEDMZVDJ-GFCCVEGCSA-N 1 2 292.383 1.679 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001208309037 940316276 /nfs/dbraw/zinc/31/62/76/940316276.db2.gz ABSPOECQJQMIQD-TZMCWYRMSA-N 1 2 290.411 1.569 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001208309037 940316279 /nfs/dbraw/zinc/31/62/79/940316279.db2.gz ABSPOECQJQMIQD-TZMCWYRMSA-N 1 2 290.411 1.569 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1C ZINC001208309323 940317885 /nfs/dbraw/zinc/31/78/85/940317885.db2.gz KHQRORODZKELKP-CHWSQXEVSA-N 1 2 290.411 1.569 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1C ZINC001208309323 940317891 /nfs/dbraw/zinc/31/78/91/940317891.db2.gz KHQRORODZKELKP-CHWSQXEVSA-N 1 2 290.411 1.569 20 30 CDEDLO C=CCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnsn2)C1 ZINC001215429490 940886620 /nfs/dbraw/zinc/88/66/20/940886620.db2.gz FKAGJVOAQPELFA-DGCLKSJQSA-N 1 2 294.424 1.831 20 30 CDEDLO C/C=C(\C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001219434820 941343904 /nfs/dbraw/zinc/34/39/04/941343904.db2.gz ONGYUSLICSQWDU-DOUXJEOOSA-N 1 2 298.386 1.166 20 30 CDEDLO C/C=C(\C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001219434820 941343905 /nfs/dbraw/zinc/34/39/05/941343905.db2.gz ONGYUSLICSQWDU-DOUXJEOOSA-N 1 2 298.386 1.166 20 30 CDEDLO CC(C)(C)C#CC(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001221536487 941542286 /nfs/dbraw/zinc/54/22/86/941542286.db2.gz RDMDLHXJKYRLEC-CHWSQXEVSA-N 1 2 266.360 1.538 20 30 CDEDLO CC(C)(C)C#CC(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001221536487 941542288 /nfs/dbraw/zinc/54/22/88/941542288.db2.gz RDMDLHXJKYRLEC-CHWSQXEVSA-N 1 2 266.360 1.538 20 30 CDEDLO C#C[C@@H](CC)OCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001224729881 941787024 /nfs/dbraw/zinc/78/70/24/941787024.db2.gz NPGGEGUCQUMBBI-AWEZNQCLSA-N 1 2 296.411 1.968 20 30 CDEDLO Cc1ccc(C#N)cc1O[C@H](C)C[NH+]1CCOCC1 ZINC001226875008 942086873 /nfs/dbraw/zinc/08/68/73/942086873.db2.gz QKUBHCRLUFOISV-CYBMUJFWSA-N 1 2 260.337 1.966 20 30 CDEDLO Cc1nonc1C[NH+]1CCC(NC(=O)C#CC(C)C)CC1 ZINC001227233559 942154487 /nfs/dbraw/zinc/15/44/87/942154487.db2.gz WHRKRXJCNURWKT-UHFFFAOYSA-N 1 2 290.367 1.118 20 30 CDEDLO Cc1cccc2[nH]c(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@H+]4C)nc21 ZINC001227269034 942160626 /nfs/dbraw/zinc/16/06/26/942160626.db2.gz YYCYYGRNJAVYJH-HJTUNCCVSA-N 1 2 285.347 1.863 20 30 CDEDLO Cc1cccc2[nH]c(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@@H+]4C)nc21 ZINC001227269034 942160627 /nfs/dbraw/zinc/16/06/27/942160627.db2.gz YYCYYGRNJAVYJH-HJTUNCCVSA-N 1 2 285.347 1.863 20 30 CDEDLO COc1cc2c(cc1O[C@@H]1C=CC(=O)C1)C=[NH+]CC2 ZINC001228092776 942268668 /nfs/dbraw/zinc/26/86/68/942268668.db2.gz USSGTVPDWZRDFR-CYBMUJFWSA-N 1 2 257.289 1.947 20 30 CDEDLO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)nc(C)n1 ZINC001228145532 942276309 /nfs/dbraw/zinc/27/63/09/942276309.db2.gz ZZRCEKLHMNWPNJ-GQTXGERZSA-N 1 2 261.325 1.085 20 30 CDEDLO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)nc(C)n1 ZINC001228145532 942276311 /nfs/dbraw/zinc/27/63/11/942276311.db2.gz ZZRCEKLHMNWPNJ-GQTXGERZSA-N 1 2 261.325 1.085 20 30 CDEDLO Cc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)nc1C ZINC001228298461 942292578 /nfs/dbraw/zinc/29/25/78/942292578.db2.gz IESCTXGJXQMSEL-KYFMZXIUSA-N 1 2 260.337 1.690 20 30 CDEDLO Cc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)nc1C ZINC001228298461 942292581 /nfs/dbraw/zinc/29/25/81/942292581.db2.gz IESCTXGJXQMSEL-KYFMZXIUSA-N 1 2 260.337 1.690 20 30 CDEDLO C[N@@H+]1CC[C@@H](Oc2ccc(O)c3c2C(=O)C=CC3=O)C1 ZINC001229406062 942466301 /nfs/dbraw/zinc/46/63/01/942466301.db2.gz JGHAKSAZVNNJKI-SECBINFHSA-N 1 2 273.288 1.410 20 30 CDEDLO C[N@H+]1CC[C@@H](Oc2ccc(O)c3c2C(=O)C=CC3=O)C1 ZINC001229406062 942466305 /nfs/dbraw/zinc/46/63/05/942466305.db2.gz JGHAKSAZVNNJKI-SECBINFHSA-N 1 2 273.288 1.410 20 30 CDEDLO CC(C)[NH+]1CC(Oc2cccc(C#N)c2[N+](=O)[O-])C1 ZINC001229597074 942494540 /nfs/dbraw/zinc/49/45/40/942494540.db2.gz HGYHKVOSIUQGGR-UHFFFAOYSA-N 1 2 261.281 1.938 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)OCC(C)C ZINC001230975456 942747983 /nfs/dbraw/zinc/74/79/83/942747983.db2.gz GQLCISUZFPLLCG-KBPBESRZSA-N 1 2 266.385 1.213 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)OCC(C)C ZINC001230975456 942747987 /nfs/dbraw/zinc/74/79/87/942747987.db2.gz GQLCISUZFPLLCG-KBPBESRZSA-N 1 2 266.385 1.213 20 30 CDEDLO Cc1oncc1C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231294675 942848232 /nfs/dbraw/zinc/84/82/32/942848232.db2.gz ZTMACPBMYGWEHO-ZWNOBZJWSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1oncc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231294675 942848238 /nfs/dbraw/zinc/84/82/38/942848238.db2.gz ZTMACPBMYGWEHO-ZWNOBZJWSA-N 1 2 276.340 1.175 20 30 CDEDLO N#CCOc1cccc(CNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001362145469 970940976 /nfs/dbraw/zinc/94/09/76/970940976.db2.gz HYENUEFPYYTUDN-UHFFFAOYSA-N 1 2 270.292 1.171 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)c1 ZINC001232677850 943358921 /nfs/dbraw/zinc/35/89/21/943358921.db2.gz LHGRGIYGJOGGQA-INIZCTEOSA-N 1 2 286.331 1.935 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@]3(CCC(=O)O3)C2)c1 ZINC001232677850 943358927 /nfs/dbraw/zinc/35/89/27/943358927.db2.gz LHGRGIYGJOGGQA-INIZCTEOSA-N 1 2 286.331 1.935 20 30 CDEDLO CN(CC[NH+]1CCCC1)Cc1cc(C#N)ccc1O ZINC001232678670 943358947 /nfs/dbraw/zinc/35/89/47/943358947.db2.gz MOAGKGSLZQVQJP-UHFFFAOYSA-N 1 2 259.353 1.791 20 30 CDEDLO COC(=O)CC1C[NH+](Cc2cc(C#N)ccc2O)C1 ZINC001232678489 943359120 /nfs/dbraw/zinc/35/91/20/943359120.db2.gz AUFBYZKMUBYTTE-UHFFFAOYSA-N 1 2 260.293 1.259 20 30 CDEDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232681994 943363371 /nfs/dbraw/zinc/36/33/71/943363371.db2.gz YERIRXIIGPOBIE-CQSZACIVSA-N 1 2 287.363 1.754 20 30 CDEDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232681994 943363374 /nfs/dbraw/zinc/36/33/74/943363374.db2.gz YERIRXIIGPOBIE-CQSZACIVSA-N 1 2 287.363 1.754 20 30 CDEDLO CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C#N)cc3[O-])C[C@@H]2C1 ZINC001233388216 943574447 /nfs/dbraw/zinc/57/44/47/943574447.db2.gz QKZLVTKGZIFDLI-GASCZTMLSA-N 1 2 271.364 1.647 20 30 CDEDLO CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C#N)cc3[O-])C[C@@H]2C1 ZINC001233388216 943574448 /nfs/dbraw/zinc/57/44/48/943574448.db2.gz QKZLVTKGZIFDLI-GASCZTMLSA-N 1 2 271.364 1.647 20 30 CDEDLO CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3[O-])C[C@@H]2C1 ZINC001233388216 943574452 /nfs/dbraw/zinc/57/44/52/943574452.db2.gz QKZLVTKGZIFDLI-GASCZTMLSA-N 1 2 271.364 1.647 20 30 CDEDLO CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C#N)cc3[O-])C[C@@H]2C1 ZINC001233388216 943574455 /nfs/dbraw/zinc/57/44/55/943574455.db2.gz QKZLVTKGZIFDLI-GASCZTMLSA-N 1 2 271.364 1.647 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccnn1C ZINC001233966467 943703745 /nfs/dbraw/zinc/70/37/45/943703745.db2.gz MHJRVWVWULZXOG-OAHLLOKOSA-N 1 2 288.395 1.256 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccnn1C ZINC001233966467 943703746 /nfs/dbraw/zinc/70/37/46/943703746.db2.gz MHJRVWVWULZXOG-OAHLLOKOSA-N 1 2 288.395 1.256 20 30 CDEDLO C[C@@H](c1cnccn1)[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234179162 943766188 /nfs/dbraw/zinc/76/61/88/943766188.db2.gz SYVZZNMQCDJCTD-DZGCQCFKSA-N 1 2 298.390 1.484 20 30 CDEDLO C[C@@H](c1cnccn1)[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234179162 943766196 /nfs/dbraw/zinc/76/61/96/943766196.db2.gz SYVZZNMQCDJCTD-DZGCQCFKSA-N 1 2 298.390 1.484 20 30 CDEDLO C=C(C)[C@H](CC(=O)N(C)C[C@H]1CC[N@@H+]1CCF)OCC ZINC001234644589 943924633 /nfs/dbraw/zinc/92/46/33/943924633.db2.gz VLELPKVOROQPED-KGLIPLIRSA-N 1 2 286.391 1.860 20 30 CDEDLO C=C(C)[C@H](CC(=O)N(C)C[C@H]1CC[N@H+]1CCF)OCC ZINC001234644589 943924642 /nfs/dbraw/zinc/92/46/42/943924642.db2.gz VLELPKVOROQPED-KGLIPLIRSA-N 1 2 286.391 1.860 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2cnc3ccccc3c2C#N)C1 ZINC001234855920 943959935 /nfs/dbraw/zinc/95/99/35/943959935.db2.gz ZCBQGZMEMXGZLV-GFCCVEGCSA-N 1 2 283.331 1.816 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2cnc3ccccc3c2C#N)C1 ZINC001234855920 943959942 /nfs/dbraw/zinc/95/99/42/943959942.db2.gz ZCBQGZMEMXGZLV-GFCCVEGCSA-N 1 2 283.331 1.816 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccccc1NS(C)(=O)=O ZINC001235139202 944067505 /nfs/dbraw/zinc/06/75/05/944067505.db2.gz DAIXNZAFTXUPOD-UHFFFAOYSA-N 1 2 276.361 1.127 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(Cl)nc2OC)CC1 ZINC001237254126 944708393 /nfs/dbraw/zinc/70/83/93/944708393.db2.gz ZGCBEGOGQGENII-UHFFFAOYSA-N 1 2 279.771 1.494 20 30 CDEDLO C=CCC[C@@H](C)n1cnc(C[C@@H]([NH3+])C(=O)OC)c1 ZINC001258725990 945391963 /nfs/dbraw/zinc/39/19/63/945391963.db2.gz PDGGAVPSRUMGQU-ZYHUDNBSSA-N 1 2 251.330 1.453 20 30 CDEDLO CC[N@@H+]1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1cccc(C#N)c1 ZINC001259123293 945489195 /nfs/dbraw/zinc/48/91/95/945489195.db2.gz SUTBBDMBILJGMH-STQMWFEESA-N 1 2 291.376 1.025 20 30 CDEDLO CC[N@H+]1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1cccc(C#N)c1 ZINC001259123293 945489197 /nfs/dbraw/zinc/48/91/97/945489197.db2.gz SUTBBDMBILJGMH-STQMWFEESA-N 1 2 291.376 1.025 20 30 CDEDLO C=CCC1(O)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001262152543 946469768 /nfs/dbraw/zinc/46/97/68/946469768.db2.gz XAXOOSLAAMKMPC-UHFFFAOYSA-N 1 2 263.341 1.272 20 30 CDEDLO CC(=O)N1CCC([N@@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001254423663 947433331 /nfs/dbraw/zinc/43/33/31/947433331.db2.gz KBNVYUSOMSGNEA-CYBMUJFWSA-N 1 2 280.393 1.271 20 30 CDEDLO CC(=O)N1CCC([N@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001254423663 947433337 /nfs/dbraw/zinc/43/33/37/947433337.db2.gz KBNVYUSOMSGNEA-CYBMUJFWSA-N 1 2 280.393 1.271 20 30 CDEDLO CC(=O)N1CCC([N@@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001254423663 947433345 /nfs/dbraw/zinc/43/33/45/947433345.db2.gz KBNVYUSOMSGNEA-CYBMUJFWSA-N 1 2 280.393 1.271 20 30 CDEDLO CC(=O)N1CCC([N@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001254423663 947433356 /nfs/dbraw/zinc/43/33/56/947433356.db2.gz KBNVYUSOMSGNEA-CYBMUJFWSA-N 1 2 280.393 1.271 20 30 CDEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(C(=O)c3ccncc3)CC2)C1 ZINC001254674141 947586967 /nfs/dbraw/zinc/58/69/67/947586967.db2.gz UPKDOEZCEBXCLS-DZGCQCFKSA-N 1 2 284.363 1.532 20 30 CDEDLO Cc1cc(-c2ncnc3[nH]cc(C#N)c32)c[nH+]c1N ZINC001245535201 947728088 /nfs/dbraw/zinc/72/80/88/947728088.db2.gz HRCHGPRYNKKSQW-UHFFFAOYSA-N 1 2 250.265 1.782 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(S(=O)(=O)CC)nc1 ZINC001255149103 947753153 /nfs/dbraw/zinc/75/31/53/947753153.db2.gz GDYBLEDJWADGSB-GFCCVEGCSA-N 1 2 281.381 1.657 20 30 CDEDLO C[NH+]1CCC(N2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001256203910 948235676 /nfs/dbraw/zinc/23/56/76/948235676.db2.gz OIRIVSJFHYQBDX-GFCCVEGCSA-N 1 2 252.383 1.355 20 30 CDEDLO CCCCOC(=O)CC[C@@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001257390232 948587347 /nfs/dbraw/zinc/58/73/47/948587347.db2.gz AVXPBYILSMOEQA-CHWSQXEVSA-N 1 2 267.373 1.296 20 30 CDEDLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cnn3ccc(C#N)cc13)C2 ZINC001249114361 949390475 /nfs/dbraw/zinc/39/04/75/949390475.db2.gz ZVATVPHMNOCNNM-HOCLYGCPSA-N 1 2 282.347 1.959 20 30 CDEDLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cnn3ccc(C#N)cc13)C2 ZINC001249114361 949390490 /nfs/dbraw/zinc/39/04/90/949390490.db2.gz ZVATVPHMNOCNNM-HOCLYGCPSA-N 1 2 282.347 1.959 20 30 CDEDLO Nc1ncc(C[NH+]2CCC(S)CC2)c(C(F)(F)F)n1 ZINC001249395064 949553867 /nfs/dbraw/zinc/55/38/67/949553867.db2.gz QXKZXKCWNNDXNX-UHFFFAOYSA-N 1 2 292.330 1.972 20 30 CDEDLO C=CCOC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001252464739 951309693 /nfs/dbraw/zinc/30/96/93/951309693.db2.gz BOTSZMFPGRDROS-DZGCQCFKSA-N 1 2 278.352 1.018 20 30 CDEDLO C=CCOC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001252464739 951309704 /nfs/dbraw/zinc/30/97/04/951309704.db2.gz BOTSZMFPGRDROS-DZGCQCFKSA-N 1 2 278.352 1.018 20 30 CDEDLO C=C[C@@](C)(O)C[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC001252571908 951464459 /nfs/dbraw/zinc/46/44/59/951464459.db2.gz LGIHPSMLRVRRNR-BXUZGUMPSA-N 1 2 257.374 1.879 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCN(C2CCCC2)C(=O)C1 ZINC001252599627 951493566 /nfs/dbraw/zinc/49/35/66/951493566.db2.gz CXYXTJXOCJXAAD-AWEZNQCLSA-N 1 2 266.385 1.400 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCN(C2CCCC2)C(=O)C1 ZINC001252599627 951493572 /nfs/dbraw/zinc/49/35/72/951493572.db2.gz CXYXTJXOCJXAAD-AWEZNQCLSA-N 1 2 266.385 1.400 20 30 CDEDLO C=C[C@H](O)C[N@H+](Cc1cnc[nH]1)Cc1ccccc1 ZINC001253584029 951974537 /nfs/dbraw/zinc/97/45/37/951974537.db2.gz CSCZCRLRMQGPMP-HNNXBMFYSA-N 1 2 257.337 1.959 20 30 CDEDLO C=C[C@H](O)C[N@@H+](Cc1cnc[nH]1)Cc1ccccc1 ZINC001253584029 951974540 /nfs/dbraw/zinc/97/45/40/951974540.db2.gz CSCZCRLRMQGPMP-HNNXBMFYSA-N 1 2 257.337 1.959 20 30 CDEDLO C=C[C@H](O)C[NH2+][C@@H](CC(C)C)C(=O)OC(C)(C)C ZINC001253600029 951987243 /nfs/dbraw/zinc/98/72/43/951987243.db2.gz BSMVMVBJWAWZSG-RYUDHWBXSA-N 1 2 257.374 1.879 20 30 CDEDLO C=C[C@@H](COC)NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC001324668703 953505457 /nfs/dbraw/zinc/50/54/57/953505457.db2.gz HBOOFZZNKAJMHA-STQMWFEESA-N 1 2 292.383 1.510 20 30 CDEDLO C#CC[N@H+](CC1CC1)[C@@H](C(=O)OC)C1(OC)CCC1 ZINC001325180402 953762266 /nfs/dbraw/zinc/76/22/66/953762266.db2.gz DPUNPYAMNSYXNV-ZDUSSCGKSA-N 1 2 265.353 1.442 20 30 CDEDLO C#CC[N@@H+](CC1CC1)[C@@H](C(=O)OC)C1(OC)CCC1 ZINC001325180402 953762269 /nfs/dbraw/zinc/76/22/69/953762269.db2.gz DPUNPYAMNSYXNV-ZDUSSCGKSA-N 1 2 265.353 1.442 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001363196833 971963757 /nfs/dbraw/zinc/96/37/57/971963757.db2.gz OILLDFRXIGMRJC-KBPBESRZSA-N 1 2 274.320 1.229 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001363196833 971963761 /nfs/dbraw/zinc/96/37/61/971963761.db2.gz OILLDFRXIGMRJC-KBPBESRZSA-N 1 2 274.320 1.229 20 30 CDEDLO CCn1cc([C@H](C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cn1 ZINC001364419025 954591912 /nfs/dbraw/zinc/59/19/12/954591912.db2.gz QWLMAIJZJYNWIM-NHYWBVRUSA-N 1 2 297.362 1.652 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CCc2nccn2C1 ZINC001492310215 955791040 /nfs/dbraw/zinc/79/10/40/955791040.db2.gz FWZRTOHGFKMXST-LBPRGKRZSA-N 1 2 296.802 1.246 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CCc2nccn2C1 ZINC001492310215 955791046 /nfs/dbraw/zinc/79/10/46/955791046.db2.gz FWZRTOHGFKMXST-LBPRGKRZSA-N 1 2 296.802 1.246 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1cccnc1 ZINC001422798070 956368499 /nfs/dbraw/zinc/36/84/99/956368499.db2.gz SZFSUTDDBMEVEQ-LBPRGKRZSA-N 1 2 281.787 1.813 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1cccnc1 ZINC001422798070 956368514 /nfs/dbraw/zinc/36/85/14/956368514.db2.gz SZFSUTDDBMEVEQ-LBPRGKRZSA-N 1 2 281.787 1.813 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cn(CC)nn1 ZINC001422901003 956438285 /nfs/dbraw/zinc/43/82/85/956438285.db2.gz XLVJMGYUHSYYQG-JTQLQIEISA-N 1 2 285.779 1.101 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cn(CC)nn1 ZINC001422901003 956438290 /nfs/dbraw/zinc/43/82/90/956438290.db2.gz XLVJMGYUHSYYQG-JTQLQIEISA-N 1 2 285.779 1.101 20 30 CDEDLO C#CC[N@@H+](CCCCCCO)CC(=O)OC(C)(C)C ZINC001307910679 956450376 /nfs/dbraw/zinc/45/03/76/956450376.db2.gz ZLEKYEHLZCESHJ-UHFFFAOYSA-N 1 2 269.385 1.816 20 30 CDEDLO C#CC[N@H+](CCCCCCO)CC(=O)OC(C)(C)C ZINC001307910679 956450385 /nfs/dbraw/zinc/45/03/85/956450385.db2.gz ZLEKYEHLZCESHJ-UHFFFAOYSA-N 1 2 269.385 1.816 20 30 CDEDLO C#C[C@H]1CCCC[N@H+]1Cc1nc(-c2cc(OC)ncn2)no1 ZINC001308140146 956475770 /nfs/dbraw/zinc/47/57/70/956475770.db2.gz DPLADYDACKUSGB-NSHDSACASA-N 1 2 299.334 1.523 20 30 CDEDLO C#C[C@H]1CCCC[N@@H+]1Cc1nc(-c2cc(OC)ncn2)no1 ZINC001308140146 956475777 /nfs/dbraw/zinc/47/57/77/956475777.db2.gz DPLADYDACKUSGB-NSHDSACASA-N 1 2 299.334 1.523 20 30 CDEDLO C[C@@H](C#N)C(=O)NC1C[NH+](CCc2ccc3c(c2)CCO3)C1 ZINC001494361013 972218073 /nfs/dbraw/zinc/21/80/73/972218073.db2.gz IPBLMBWQDQJQTA-LBPRGKRZSA-N 1 2 299.374 1.124 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1CC2(CC2)CC1=O ZINC001331351749 956984599 /nfs/dbraw/zinc/98/45/99/956984599.db2.gz OFVGKHLXDPRZJW-UHFFFAOYSA-N 1 2 269.348 1.960 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1CC2(CC2)CC1=O ZINC001331351749 956984610 /nfs/dbraw/zinc/98/46/10/956984610.db2.gz OFVGKHLXDPRZJW-UHFFFAOYSA-N 1 2 269.348 1.960 20 30 CDEDLO C#CC[N@@H+](Cc1cn(C)nc1C(=O)OCC)C(C)C ZINC001333811386 958619590 /nfs/dbraw/zinc/61/95/90/958619590.db2.gz FVPADJNTZDNGJO-UHFFFAOYSA-N 1 2 263.341 1.440 20 30 CDEDLO C#CC[N@H+](Cc1cn(C)nc1C(=O)OCC)C(C)C ZINC001333811386 958619598 /nfs/dbraw/zinc/61/95/98/958619598.db2.gz FVPADJNTZDNGJO-UHFFFAOYSA-N 1 2 263.341 1.440 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1nnc(C(C)C)s1)CC1CC1 ZINC001319552714 958626913 /nfs/dbraw/zinc/62/69/13/958626913.db2.gz SYUBDDQJOCCYCO-UHFFFAOYSA-N 1 2 292.408 1.945 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1nnc(C(C)C)s1)CC1CC1 ZINC001319552714 958626915 /nfs/dbraw/zinc/62/69/15/958626915.db2.gz SYUBDDQJOCCYCO-UHFFFAOYSA-N 1 2 292.408 1.945 20 30 CDEDLO C#CCNC(=O)C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC001323797144 960976697 /nfs/dbraw/zinc/97/66/97/960976697.db2.gz PPCHSZMFJKOSSJ-SNVBAGLBSA-N 1 2 279.409 1.841 20 30 CDEDLO COCCC(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001419006952 961255586 /nfs/dbraw/zinc/25/55/86/961255586.db2.gz LHRZMVXQEPAPCB-UHFFFAOYSA-N 1 2 287.363 1.143 20 30 CDEDLO C=C(C[NH+](C)C)C(=O)N=[S@](C)(=O)c1cccc(F)c1 ZINC001337590725 961295126 /nfs/dbraw/zinc/29/51/26/961295126.db2.gz DXEZDZXLBZYGTE-LJQANCHMSA-N 1 2 284.356 1.927 20 30 CDEDLO COC(=O)C[N@H+](CC(C)C)C[C@@H](O)c1cccc(C#N)c1 ZINC001434460932 961438696 /nfs/dbraw/zinc/43/86/96/961438696.db2.gz KXRVYKWCQUWVFL-OAHLLOKOSA-N 1 2 290.363 1.723 20 30 CDEDLO COC(=O)C[N@@H+](CC(C)C)C[C@@H](O)c1cccc(C#N)c1 ZINC001434460932 961438710 /nfs/dbraw/zinc/43/87/10/961438710.db2.gz KXRVYKWCQUWVFL-OAHLLOKOSA-N 1 2 290.363 1.723 20 30 CDEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@@H](C)C1 ZINC001339879859 962599047 /nfs/dbraw/zinc/59/90/47/962599047.db2.gz FUSHSRDLVLUUDP-GFCCVEGCSA-N 1 2 286.383 1.635 20 30 CDEDLO COCC#CC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001340134571 962769130 /nfs/dbraw/zinc/76/91/30/962769130.db2.gz WHNLSXVMFUZPHU-UHFFFAOYSA-N 1 2 273.336 1.134 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@H]3C)n2CC=C)CC1 ZINC001340313655 962883421 /nfs/dbraw/zinc/88/34/21/962883421.db2.gz UJHVSFLIWFHCFO-KGLIPLIRSA-N 1 2 285.395 1.343 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc(C)nn1)C1CC1 ZINC001437785564 963180474 /nfs/dbraw/zinc/18/04/74/963180474.db2.gz NNLGVPKXYYFLCZ-UHFFFAOYSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc(C)nn1)C1CC1 ZINC001437785564 963180479 /nfs/dbraw/zinc/18/04/79/963180479.db2.gz NNLGVPKXYYFLCZ-UHFFFAOYSA-N 1 2 294.786 1.732 20 30 CDEDLO C=CCN(CCOC)c1nnc(C[NH+]2CCCCC2)n1C ZINC001341702105 963517126 /nfs/dbraw/zinc/51/71/26/963517126.db2.gz BOCFROGLSRURGP-UHFFFAOYSA-N 1 2 293.415 1.440 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc(C)cn1 ZINC001439369708 963741715 /nfs/dbraw/zinc/74/17/15/963741715.db2.gz QLUXRCABDVQCIG-GFCCVEGCSA-N 1 2 284.791 1.381 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cn1cc(C)cn1 ZINC001439369708 963741718 /nfs/dbraw/zinc/74/17/18/963741718.db2.gz QLUXRCABDVQCIG-GFCCVEGCSA-N 1 2 284.791 1.381 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccc(OCC)nc1 ZINC001442410956 965046484 /nfs/dbraw/zinc/04/64/84/965046484.db2.gz OGNHSYMNVLPPFJ-UHFFFAOYSA-N 1 2 297.786 1.894 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccc(OCC)nc1 ZINC001442410956 965046496 /nfs/dbraw/zinc/04/64/96/965046496.db2.gz OGNHSYMNVLPPFJ-UHFFFAOYSA-N 1 2 297.786 1.894 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001346768819 965247934 /nfs/dbraw/zinc/24/79/34/965247934.db2.gz ZPIHWNZPRVEMCF-ZNMIVQPWSA-N 1 2 294.443 1.371 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001346768819 965247945 /nfs/dbraw/zinc/24/79/45/965247945.db2.gz ZPIHWNZPRVEMCF-ZNMIVQPWSA-N 1 2 294.443 1.371 20 30 CDEDLO C=CCC[C@@H](NC(=O)CCc1[nH+]ccn1C)C(=O)OCC ZINC001347662442 965647884 /nfs/dbraw/zinc/64/78/84/965647884.db2.gz ABVWAVGRMGKDCQ-GFCCVEGCSA-N 1 2 293.367 1.367 20 30 CDEDLO COCC#CC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC001351013585 966829709 /nfs/dbraw/zinc/82/97/09/966829709.db2.gz SDCCLNYJEMZLPZ-UHFFFAOYSA-N 1 2 283.331 1.197 20 30 CDEDLO C[C@H](O)C[C@@H]1COCC[N@@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001473366418 969723947 /nfs/dbraw/zinc/72/39/47/969723947.db2.gz SXZQPFULHNJZLI-APHBMKBZSA-N 1 2 290.363 1.063 20 30 CDEDLO C[C@H](O)C[C@@H]1COCC[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001473366418 969723950 /nfs/dbraw/zinc/72/39/50/969723950.db2.gz SXZQPFULHNJZLI-APHBMKBZSA-N 1 2 290.363 1.063 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ncoc1CC ZINC001496676726 973034322 /nfs/dbraw/zinc/03/43/22/973034322.db2.gz QACOJTGRHJFSJE-UHFFFAOYSA-N 1 2 285.775 1.993 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ncoc1CC ZINC001496676726 973034326 /nfs/dbraw/zinc/03/43/26/973034326.db2.gz QACOJTGRHJFSJE-UHFFFAOYSA-N 1 2 285.775 1.993 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1snnc1C ZINC001375000446 974212618 /nfs/dbraw/zinc/21/26/18/974212618.db2.gz HHRRZGYHZRWHHF-MRVPVSSYSA-N 1 2 288.804 1.649 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1snnc1C ZINC001375000446 974212620 /nfs/dbraw/zinc/21/26/20/974212620.db2.gz HHRRZGYHZRWHHF-MRVPVSSYSA-N 1 2 288.804 1.649 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1nonc1C ZINC001377415025 975013202 /nfs/dbraw/zinc/01/32/02/975013202.db2.gz YYTWYEADCCJWJZ-LLVKDONJSA-N 1 2 298.774 1.254 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1nonc1C ZINC001377415025 975013205 /nfs/dbraw/zinc/01/32/05/975013205.db2.gz YYTWYEADCCJWJZ-LLVKDONJSA-N 1 2 298.774 1.254 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)Cc2cccnc2)C1 ZINC001404874994 975521350 /nfs/dbraw/zinc/52/13/50/975521350.db2.gz JVNYQPQJFSUXAN-UHFFFAOYSA-N 1 2 279.771 1.425 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc[nH]c(=O)c1 ZINC001401362852 975616631 /nfs/dbraw/zinc/61/66/31/975616631.db2.gz OTPOUUOZNJAELN-UHFFFAOYSA-N 1 2 283.759 1.544 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc[nH]c(=O)c1 ZINC001401362852 975616634 /nfs/dbraw/zinc/61/66/34/975616634.db2.gz OTPOUUOZNJAELN-UHFFFAOYSA-N 1 2 283.759 1.544 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1coc(C)n1)C1CC1 ZINC001391154931 976729712 /nfs/dbraw/zinc/72/97/12/976729712.db2.gz BSYVFKIERRNVEA-UHFFFAOYSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1coc(C)n1)C1CC1 ZINC001391154931 976729725 /nfs/dbraw/zinc/72/97/25/976729725.db2.gz BSYVFKIERRNVEA-UHFFFAOYSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1nccn1CC)C1CC1 ZINC001391158065 976732503 /nfs/dbraw/zinc/73/25/03/976732503.db2.gz WAWSAWYXNZGUQI-UHFFFAOYSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1nccn1CC)C1CC1 ZINC001391158065 976732511 /nfs/dbraw/zinc/73/25/11/976732511.db2.gz WAWSAWYXNZGUQI-UHFFFAOYSA-N 1 2 296.802 1.850 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1 ZINC001399998394 976796610 /nfs/dbraw/zinc/79/66/10/976796610.db2.gz RJJMITHJVIOWEU-ZDUSSCGKSA-N 1 2 296.374 1.799 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC001399998394 976796617 /nfs/dbraw/zinc/79/66/17/976796617.db2.gz RJJMITHJVIOWEU-ZDUSSCGKSA-N 1 2 296.374 1.799 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1nccn1CC ZINC001394047376 978031784 /nfs/dbraw/zinc/03/17/84/978031784.db2.gz AUNQXWUNVGCHTM-NSHDSACASA-N 1 2 284.791 1.706 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1nccn1CC ZINC001394047376 978031796 /nfs/dbraw/zinc/03/17/96/978031796.db2.gz AUNQXWUNVGCHTM-NSHDSACASA-N 1 2 284.791 1.706 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001132398585 1163267145 /nfs/dbraw/zinc/26/71/45/1163267145.db2.gz GFNBPRDRTCHUDW-VIFPVBQESA-N 1 2 266.345 1.357 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]Cc1nc(COC)no1 ZINC001132651354 1163424972 /nfs/dbraw/zinc/42/49/72/1163424972.db2.gz WRSYSVRNUXOTEU-LLVKDONJSA-N 1 2 296.371 1.024 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001133154761 1163585638 /nfs/dbraw/zinc/58/56/38/1163585638.db2.gz SCLGZKWWTBCYHM-UHFFFAOYSA-N 1 2 266.345 1.194 20 30 CDEDLO N#Cc1cccc(F)c1CC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000587066668 342474319 /nfs/dbraw/zinc/47/43/19/342474319.db2.gz XGSUMNWGFODSEB-GFCCVEGCSA-N 1 2 298.321 1.568 20 30 CDEDLO N#Cc1cc(O)cc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000589177720 342499578 /nfs/dbraw/zinc/49/95/78/342499578.db2.gz MSVNIUKXQUCBRK-CQSZACIVSA-N 1 2 296.330 1.938 20 30 CDEDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)CC1(CC#N)CC1 ZINC000601427660 342561870 /nfs/dbraw/zinc/56/18/70/342561870.db2.gz GAIMIXAZOZROOP-LLVKDONJSA-N 1 2 296.396 1.577 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000045784592 342044633 /nfs/dbraw/zinc/04/46/33/342044633.db2.gz GJSGNGBDYNGFFS-CHWSQXEVSA-N 1 2 252.358 1.296 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000045784592 342044634 /nfs/dbraw/zinc/04/46/34/342044634.db2.gz GJSGNGBDYNGFFS-CHWSQXEVSA-N 1 2 252.358 1.296 20 30 CDEDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000124809544 187155613 /nfs/dbraw/zinc/15/56/13/187155613.db2.gz SMKWJAWWEZSNLF-LLVKDONJSA-N 1 2 250.323 1.757 20 30 CDEDLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000124809544 187155614 /nfs/dbraw/zinc/15/56/14/187155614.db2.gz SMKWJAWWEZSNLF-LLVKDONJSA-N 1 2 250.323 1.757 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC ZINC000590652730 342580776 /nfs/dbraw/zinc/58/07/76/342580776.db2.gz MHQASAPZYXMDMY-YVECIDJPSA-N 1 2 271.357 1.276 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000292440511 342589627 /nfs/dbraw/zinc/58/96/27/342589627.db2.gz VVQAEPWODYLTJT-UHFFFAOYSA-N 1 2 295.346 1.780 20 30 CDEDLO C[NH+]1CCN(C(=O)CSc2cccc(F)c2C#N)CC1 ZINC000565240805 365617927 /nfs/dbraw/zinc/61/79/27/365617927.db2.gz FZJRSVPJMIZWQH-UHFFFAOYSA-N 1 2 293.367 1.563 20 30 CDEDLO Cc1nnc(NCC[N@H+]2CCOC[C@@H]2C)c(C#N)c1C ZINC000609150047 342092447 /nfs/dbraw/zinc/09/24/47/342092447.db2.gz FMMFASZDRHWDSE-JTQLQIEISA-N 1 2 275.356 1.098 20 30 CDEDLO Cc1nnc(NCC[N@@H+]2CCOC[C@@H]2C)c(C#N)c1C ZINC000609150047 342092448 /nfs/dbraw/zinc/09/24/48/342092448.db2.gz FMMFASZDRHWDSE-JTQLQIEISA-N 1 2 275.356 1.098 20 30 CDEDLO CC(C)(C#N)CNC(=O)NCCNc1cccc[nH+]1 ZINC000611622854 346832295 /nfs/dbraw/zinc/83/22/95/346832295.db2.gz PWVPEJPUCRWSKV-UHFFFAOYSA-N 1 2 261.329 1.342 20 30 CDEDLO C[C@@H]1CSCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000070219812 361835823 /nfs/dbraw/zinc/83/58/23/361835823.db2.gz IOCQCQRHJBPCJE-LLVKDONJSA-N 1 2 275.377 1.934 20 30 CDEDLO C[C@@H]1CSCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000070219812 361835830 /nfs/dbraw/zinc/83/58/30/361835830.db2.gz IOCQCQRHJBPCJE-LLVKDONJSA-N 1 2 275.377 1.934 20 30 CDEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N1CC[C@](O)(CC#N)C1 ZINC000592031908 342662702 /nfs/dbraw/zinc/66/27/02/342662702.db2.gz XQDNNRJUQYLYCJ-SMDDNHRTSA-N 1 2 291.355 1.024 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000592151308 342668841 /nfs/dbraw/zinc/66/88/41/342668841.db2.gz LIYXEXRHYXSIBL-AWEZNQCLSA-N 1 2 259.284 1.548 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000592151308 342668842 /nfs/dbraw/zinc/66/88/42/342668842.db2.gz LIYXEXRHYXSIBL-AWEZNQCLSA-N 1 2 259.284 1.548 20 30 CDEDLO C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592152160 342669237 /nfs/dbraw/zinc/66/92/37/342669237.db2.gz VFFHWPLQUBHFLE-CZUORRHYSA-N 1 2 297.362 1.679 20 30 CDEDLO C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592152160 342669238 /nfs/dbraw/zinc/66/92/38/342669238.db2.gz VFFHWPLQUBHFLE-CZUORRHYSA-N 1 2 297.362 1.679 20 30 CDEDLO N#CC[C@@]1(O)CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000592837217 342733253 /nfs/dbraw/zinc/73/32/53/342733253.db2.gz FRWXULDCDFGVKX-MRXNPFEDSA-N 1 2 296.330 1.363 20 30 CDEDLO C=CCC[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)OCC ZINC000593738575 342826773 /nfs/dbraw/zinc/82/67/73/342826773.db2.gz IYLUEZFJWZMXBC-STQMWFEESA-N 1 2 293.367 1.848 20 30 CDEDLO C[C@H]1C[C@]1(C#N)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000448645620 361944314 /nfs/dbraw/zinc/94/43/14/361944314.db2.gz AJVCZVSGUKTIIU-XJKSGUPXSA-N 1 2 284.363 1.276 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000594009589 342863290 /nfs/dbraw/zinc/86/32/90/342863290.db2.gz DYNBLAPDFRNRSS-NSHDSACASA-N 1 2 289.335 1.678 20 30 CDEDLO N#Cc1ccc(CN2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000593968306 342858436 /nfs/dbraw/zinc/85/84/36/342858436.db2.gz QNMKLILQDJRNLJ-GFCCVEGCSA-N 1 2 277.393 1.526 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN([C@@H]3CCOC3)CC2)s1 ZINC000593968306 342858437 /nfs/dbraw/zinc/85/84/37/342858437.db2.gz QNMKLILQDJRNLJ-GFCCVEGCSA-N 1 2 277.393 1.526 20 30 CDEDLO CC(C)[N@H+](CC(=O)NC1(C#N)CCCCC1)C1COC1 ZINC000333424457 539052033 /nfs/dbraw/zinc/05/20/33/539052033.db2.gz MMXXVNWGQAONCL-UHFFFAOYSA-N 1 2 279.384 1.438 20 30 CDEDLO CC(C)[N@@H+](CC(=O)NC1(C#N)CCCCC1)C1COC1 ZINC000333424457 539052034 /nfs/dbraw/zinc/05/20/34/539052034.db2.gz MMXXVNWGQAONCL-UHFFFAOYSA-N 1 2 279.384 1.438 20 30 CDEDLO N#CC[C@H]1CCCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000594684681 342940688 /nfs/dbraw/zinc/94/06/88/342940688.db2.gz AZBZWMMHQKJATN-GFCCVEGCSA-N 1 2 261.329 1.218 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H](CC#N)C1 ZINC000594685240 342941159 /nfs/dbraw/zinc/94/11/59/342941159.db2.gz GINQPJJIZYPFHI-OLZOCXBDSA-N 1 2 275.356 1.607 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000353715164 529488234 /nfs/dbraw/zinc/48/82/34/529488234.db2.gz XIRPCDAESZEDJG-HNNXBMFYSA-N 1 2 281.400 1.495 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595518046 343074056 /nfs/dbraw/zinc/07/40/56/343074056.db2.gz YRIYASJVDCKUDL-NSHDSACASA-N 1 2 261.329 1.255 20 30 CDEDLO C[N@H+](CCOc1ccccc1C#N)Cc1n[nH]c(=O)o1 ZINC000595545917 343083456 /nfs/dbraw/zinc/08/34/56/343083456.db2.gz BBWIZULSVLUACJ-UHFFFAOYSA-N 1 2 274.280 1.158 20 30 CDEDLO C[N@@H+](CCOc1ccccc1C#N)Cc1n[nH]c(=O)o1 ZINC000595545917 343083458 /nfs/dbraw/zinc/08/34/58/343083458.db2.gz BBWIZULSVLUACJ-UHFFFAOYSA-N 1 2 274.280 1.158 20 30 CDEDLO COC(=O)[C@@](C)(CO)[NH2+]CCCCC(C)(C)C#N ZINC000595532529 343090977 /nfs/dbraw/zinc/09/09/77/343090977.db2.gz SWKFOCSZBBSCPB-CYBMUJFWSA-N 1 2 256.346 1.220 20 30 CDEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000081039934 342363428 /nfs/dbraw/zinc/36/34/28/342363428.db2.gz MHMWAJSWCXOZRF-JSGCOSHPSA-N 1 2 264.373 1.665 20 30 CDEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000081039934 342363429 /nfs/dbraw/zinc/36/34/29/342363429.db2.gz MHMWAJSWCXOZRF-JSGCOSHPSA-N 1 2 264.373 1.665 20 30 CDEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000081039677 342363362 /nfs/dbraw/zinc/36/33/62/342363362.db2.gz UDUNKPIGUOSIPG-JTQLQIEISA-N 1 2 268.361 1.235 20 30 CDEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000081039677 342363363 /nfs/dbraw/zinc/36/33/63/342363363.db2.gz UDUNKPIGUOSIPG-JTQLQIEISA-N 1 2 268.361 1.235 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccc2c(c1)CCO2 ZINC000573449921 334938719 /nfs/dbraw/zinc/93/87/19/334938719.db2.gz XANLGFCHAUQDFN-INIZCTEOSA-N 1 2 287.363 1.124 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1ccc(C#N)cc1 ZINC000596743727 343386208 /nfs/dbraw/zinc/38/62/08/343386208.db2.gz AAXGUQCXFXUSRG-ZIAGYGMSSA-N 1 2 280.331 1.712 20 30 CDEDLO CC(C)C[C@@H](C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597073019 343438814 /nfs/dbraw/zinc/43/88/14/343438814.db2.gz DGDPLCXMEXXUHS-QJPTWQEYSA-N 1 2 260.341 1.578 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)N1CCc2cc(C#N)ccc21 ZINC000597772165 343630715 /nfs/dbraw/zinc/63/07/15/343630715.db2.gz JLIQVQKYOWCZMI-UHFFFAOYSA-N 1 2 266.304 1.424 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000619719490 349869301 /nfs/dbraw/zinc/86/93/01/349869301.db2.gz CVVUGUAIZCYEQR-CHWSQXEVSA-N 1 2 292.383 1.766 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000619719490 349869302 /nfs/dbraw/zinc/86/93/02/349869302.db2.gz CVVUGUAIZCYEQR-CHWSQXEVSA-N 1 2 292.383 1.766 20 30 CDEDLO CNc1[nH+]cnc2c1cnn2C[C@H](O)CC(C)(C)C#N ZINC000598701825 343889789 /nfs/dbraw/zinc/88/97/89/343889789.db2.gz NLNPIZBLZIDBMB-SECBINFHSA-N 1 2 274.328 1.169 20 30 CDEDLO Cc1cc(F)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(F)c1 ZINC000598836240 343914377 /nfs/dbraw/zinc/91/43/77/343914377.db2.gz DBMBFRVNFUPVAO-AWEZNQCLSA-N 1 2 281.306 1.847 20 30 CDEDLO N#Cc1cccc(F)c1CC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598950865 343933908 /nfs/dbraw/zinc/93/39/08/343933908.db2.gz UYOVIVSXLBREPN-GFCCVEGCSA-N 1 2 298.321 1.568 20 30 CDEDLO Cc1cc(CN2CC[NH+](Cc3cn[nH]c3)CC2)ccc1C#N ZINC000599438516 344048519 /nfs/dbraw/zinc/04/85/19/344048519.db2.gz DGPZRJRNIKFNHJ-UHFFFAOYSA-N 1 2 295.390 1.908 20 30 CDEDLO N#Cc1cc(NCCCn2cc[nH+]c2)nc(C2CC2)n1 ZINC000601098648 349904737 /nfs/dbraw/zinc/90/47/37/349904737.db2.gz CIJJTAGVCYMOAF-UHFFFAOYSA-N 1 2 268.324 1.346 20 30 CDEDLO Cc1cn2ccc(C(=O)N(C)C[C@@H](C)C#N)cc2[nH+]1 ZINC000602084602 344328853 /nfs/dbraw/zinc/32/88/53/344328853.db2.gz UIRHXOHYKPOLDJ-JTQLQIEISA-N 1 2 256.309 1.874 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C)CC1CCCCC1 ZINC000602863083 344617954 /nfs/dbraw/zinc/61/79/54/344617954.db2.gz NRYVPWUISKKRGT-GFCCVEGCSA-N 1 2 251.374 1.917 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000602927557 344659987 /nfs/dbraw/zinc/65/99/87/344659987.db2.gz UWKVTRQVKMNTOB-CYBMUJFWSA-N 1 2 291.351 1.674 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000602927557 344659990 /nfs/dbraw/zinc/65/99/90/344659990.db2.gz UWKVTRQVKMNTOB-CYBMUJFWSA-N 1 2 291.351 1.674 20 30 CDEDLO COc1cccc(CNC(=O)C[NH2+][C@@H](C)CC#N)c1 ZINC000602866415 344638773 /nfs/dbraw/zinc/63/87/73/344638773.db2.gz ZXSBDEKOXDPYHL-NSHDSACASA-N 1 2 261.325 1.203 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000602870420 344641229 /nfs/dbraw/zinc/64/12/29/344641229.db2.gz SZVRDHPOVRMOIJ-GXFFZTMASA-N 1 2 288.307 1.592 20 30 CDEDLO CC[N@H+](CCN1C[C@@H](C)O[C@@H](C)C1)C[C@@H](C)C#N ZINC000313793722 344908634 /nfs/dbraw/zinc/90/86/34/344908634.db2.gz HJDCJWUPEFEEGD-MELADBBJSA-N 1 2 253.390 1.577 20 30 CDEDLO CC[N@@H+](CCN1C[C@@H](C)O[C@@H](C)C1)C[C@@H](C)C#N ZINC000313793722 344908636 /nfs/dbraw/zinc/90/86/36/344908636.db2.gz HJDCJWUPEFEEGD-MELADBBJSA-N 1 2 253.390 1.577 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000030195902 345029419 /nfs/dbraw/zinc/02/94/19/345029419.db2.gz ITLMIGCEHTVCAL-SWLSCSKDSA-N 1 2 281.400 1.540 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000030195902 345029421 /nfs/dbraw/zinc/02/94/21/345029421.db2.gz ITLMIGCEHTVCAL-SWLSCSKDSA-N 1 2 281.400 1.540 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447848284 362530921 /nfs/dbraw/zinc/53/09/21/362530921.db2.gz LFIWTZCLXAUVAA-VXGBXAGGSA-N 1 2 254.374 1.424 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447848284 362530925 /nfs/dbraw/zinc/53/09/25/362530925.db2.gz LFIWTZCLXAUVAA-VXGBXAGGSA-N 1 2 254.374 1.424 20 30 CDEDLO N#CCSCCC[N@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000072486818 345323974 /nfs/dbraw/zinc/32/39/74/345323974.db2.gz KWVFWUDGCPBZGE-LBPRGKRZSA-N 1 2 295.433 1.868 20 30 CDEDLO N#CCSCCC[N@@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000072486818 345323976 /nfs/dbraw/zinc/32/39/76/345323976.db2.gz KWVFWUDGCPBZGE-LBPRGKRZSA-N 1 2 295.433 1.868 20 30 CDEDLO CCOC(=O)[C@H]1CCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000120576935 362584397 /nfs/dbraw/zinc/58/43/97/362584397.db2.gz ACILNGGOKNAPEK-OAHLLOKOSA-N 1 2 288.347 1.965 20 30 CDEDLO CCOC(=O)[C@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000120576935 362584400 /nfs/dbraw/zinc/58/44/00/362584400.db2.gz ACILNGGOKNAPEK-OAHLLOKOSA-N 1 2 288.347 1.965 20 30 CDEDLO CCCC[C@H](C(=O)OC)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000610391048 346270411 /nfs/dbraw/zinc/27/04/11/346270411.db2.gz MLCSFMUPWXVJRK-HUUCEWRRSA-N 1 2 295.427 1.884 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)s1 ZINC000610521083 346299977 /nfs/dbraw/zinc/29/99/77/346299977.db2.gz XMCGDAYOUPMWAS-UHFFFAOYSA-N 1 2 285.328 1.918 20 30 CDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611173920 346627438 /nfs/dbraw/zinc/62/74/38/346627438.db2.gz RMCIWLWOXPCORU-CABCVRRESA-N 1 2 292.427 1.213 20 30 CDEDLO COc1ccc(C#N)cc1C[NH+]1CCN(CCC#N)CC1 ZINC000611174187 346628107 /nfs/dbraw/zinc/62/81/07/346628107.db2.gz XHTVWYADJCVWJB-UHFFFAOYSA-N 1 2 284.363 1.598 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000611176096 346632340 /nfs/dbraw/zinc/63/23/40/346632340.db2.gz UEUVDOOKWAJLKX-UHFFFAOYSA-N 1 2 265.307 1.996 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3nc(C#N)ccc3C)CC2)on1 ZINC000611398893 346774785 /nfs/dbraw/zinc/77/47/85/346774785.db2.gz ORYBSQLQFAQLHB-UHFFFAOYSA-N 1 2 297.362 1.880 20 30 CDEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccncc2)CC1 ZINC000611431862 346782386 /nfs/dbraw/zinc/78/23/86/346782386.db2.gz DJUTXMUVRKWOLG-OAHLLOKOSA-N 1 2 258.369 1.747 20 30 CDEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC3(C#N)CCC3)[C@@H]2C1 ZINC000450618769 362838512 /nfs/dbraw/zinc/83/85/12/362838512.db2.gz IJYYHPAMFSZHBI-MCIONIFRSA-N 1 2 264.369 1.949 20 30 CDEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC3(C#N)CCC3)[C@@H]2C1 ZINC000450618769 362838516 /nfs/dbraw/zinc/83/85/16/362838516.db2.gz IJYYHPAMFSZHBI-MCIONIFRSA-N 1 2 264.369 1.949 20 30 CDEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC3(C#N)CCC3)[C@H]2C1 ZINC000450618771 362839322 /nfs/dbraw/zinc/83/93/22/362839322.db2.gz IJYYHPAMFSZHBI-RDBSUJKOSA-N 1 2 264.369 1.949 20 30 CDEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC3(C#N)CCC3)[C@H]2C1 ZINC000450618771 362839326 /nfs/dbraw/zinc/83/93/26/362839326.db2.gz IJYYHPAMFSZHBI-RDBSUJKOSA-N 1 2 264.369 1.949 20 30 CDEDLO C=CC[N@@H+](CCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000068830393 347568403 /nfs/dbraw/zinc/56/84/03/347568403.db2.gz ILKOUNDSJOIDBO-AWEZNQCLSA-N 1 2 297.424 1.175 20 30 CDEDLO C=CC[N@H+](CCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000068830393 347568404 /nfs/dbraw/zinc/56/84/04/347568404.db2.gz ILKOUNDSJOIDBO-AWEZNQCLSA-N 1 2 297.424 1.175 20 30 CDEDLO C#C[C@H](NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)C(C)(C)C ZINC000491640746 347585201 /nfs/dbraw/zinc/58/52/01/347585201.db2.gz OUXHZXGOTBVDLC-MJBXVCDLSA-N 1 2 295.427 1.443 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000491695390 347587027 /nfs/dbraw/zinc/58/70/27/347587027.db2.gz MOBFXPDAYURXFT-STQMWFEESA-N 1 2 274.368 1.972 20 30 CDEDLO CC(C)(C#N)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000055256702 347842176 /nfs/dbraw/zinc/84/21/76/347842176.db2.gz IJWYKDNKQGARLH-UHFFFAOYSA-N 1 2 288.351 1.084 20 30 CDEDLO Cc1nn(Cc2ccc(N(C)C)[nH+]c2)c(=O)c(C#N)c1C ZINC000600512795 348141568 /nfs/dbraw/zinc/14/15/68/348141568.db2.gz ZQMAKIUCXPYIIA-UHFFFAOYSA-N 1 2 283.335 1.241 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc2nccnc2c1 ZINC000414139619 362923528 /nfs/dbraw/zinc/92/35/28/362923528.db2.gz GJYACUUFHRLPNO-GFCCVEGCSA-N 1 2 286.335 1.215 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc2nccnc2c1 ZINC000414139619 362923532 /nfs/dbraw/zinc/92/35/32/362923532.db2.gz GJYACUUFHRLPNO-GFCCVEGCSA-N 1 2 286.335 1.215 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc2ncncc2c1 ZINC000414121810 362926947 /nfs/dbraw/zinc/92/69/47/362926947.db2.gz HURJHGJQKWYRMN-ZDUSSCGKSA-N 1 2 286.335 1.215 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc2ncncc2c1 ZINC000414121810 362926952 /nfs/dbraw/zinc/92/69/52/362926952.db2.gz HURJHGJQKWYRMN-ZDUSSCGKSA-N 1 2 286.335 1.215 20 30 CDEDLO CC(=O)c1ccc(OC[C@H](O)C[N@H+](C)CCC#N)c(F)c1 ZINC000414136927 362923448 /nfs/dbraw/zinc/92/34/48/362923448.db2.gz JGJSFGJVZSOWCW-CYBMUJFWSA-N 1 2 294.326 1.613 20 30 CDEDLO CC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)c(F)c1 ZINC000414136927 362923452 /nfs/dbraw/zinc/92/34/52/362923452.db2.gz JGJSFGJVZSOWCW-CYBMUJFWSA-N 1 2 294.326 1.613 20 30 CDEDLO Cc1ccc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)c(C)[nH+]1 ZINC000615631690 348616800 /nfs/dbraw/zinc/61/68/00/348616800.db2.gz NOZZIZZHVUHLHW-CQSZACIVSA-N 1 2 290.298 1.101 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065422243 348955163 /nfs/dbraw/zinc/95/51/63/348955163.db2.gz RVKJRRRWAWOVPW-QWHCGFSZSA-N 1 2 281.400 1.494 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065422243 348955166 /nfs/dbraw/zinc/95/51/66/348955166.db2.gz RVKJRRRWAWOVPW-QWHCGFSZSA-N 1 2 281.400 1.494 20 30 CDEDLO CCC[N@H+]1CCC[C@@H]1C(=O)N=c1[nH][nH]c(C2CC2)c1C#N ZINC000601738223 350002026 /nfs/dbraw/zinc/00/20/26/350002026.db2.gz PQPSVLVEEZCHCS-GFCCVEGCSA-N 1 2 287.367 1.394 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000069314757 349098296 /nfs/dbraw/zinc/09/82/96/349098296.db2.gz SWTWDBWBDRSMFK-CQSZACIVSA-N 1 2 289.379 1.711 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000068468673 349068127 /nfs/dbraw/zinc/06/81/27/349068127.db2.gz QEPVQYMQCYZOLB-UHFFFAOYSA-N 1 2 264.275 1.356 20 30 CDEDLO CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602438562 350108717 /nfs/dbraw/zinc/10/87/17/350108717.db2.gz FPGRLYNYLVOANV-CYBMUJFWSA-N 1 2 258.325 1.054 20 30 CDEDLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602438562 350108720 /nfs/dbraw/zinc/10/87/20/350108720.db2.gz FPGRLYNYLVOANV-CYBMUJFWSA-N 1 2 258.325 1.054 20 30 CDEDLO C[C@H]([C@H](C)[N@H+](C)Cc1cccc(C#N)n1)S(C)(=O)=O ZINC000602469584 350111544 /nfs/dbraw/zinc/11/15/44/350111544.db2.gz UUMDYIXYQASGGV-WDEREUQCSA-N 1 2 281.381 1.207 20 30 CDEDLO C[C@H]([C@H](C)[N@@H+](C)Cc1cccc(C#N)n1)S(C)(=O)=O ZINC000602469584 350111550 /nfs/dbraw/zinc/11/15/50/350111550.db2.gz UUMDYIXYQASGGV-WDEREUQCSA-N 1 2 281.381 1.207 20 30 CDEDLO CCc1ncc(C[NH+]2CCN(CC#N)CC2)s1 ZINC000264336230 363036182 /nfs/dbraw/zinc/03/61/82/363036182.db2.gz ORCYZIRLVPJNDT-UHFFFAOYSA-N 1 2 250.371 1.347 20 30 CDEDLO Cc1ccn(Cc2[nH+]ccn2C(F)F)c(=O)c1C#N ZINC000121996448 187009176 /nfs/dbraw/zinc/00/91/76/187009176.db2.gz DGCMTSJQAAHBLH-UHFFFAOYSA-N 1 2 264.235 1.668 20 30 CDEDLO C=C[C@H](CO)NC(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000292219845 198206915 /nfs/dbraw/zinc/20/69/15/198206915.db2.gz DFERWFWDFJCLPW-CYBMUJFWSA-N 1 2 292.383 1.274 20 30 CDEDLO C=C[C@H](CO)NC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000292407469 198277760 /nfs/dbraw/zinc/27/77/60/198277760.db2.gz MDBCNHONLXBZLA-GFCCVEGCSA-N 1 2 288.351 1.191 20 30 CDEDLO C[C@@H](CC(=O)NC[C@H]1CCCN(CC#N)C1)n1cc[nH+]c1 ZINC000583941428 355991851 /nfs/dbraw/zinc/99/18/51/355991851.db2.gz ITQOYSUJPPDVKH-UONOGXRCSA-N 1 2 289.383 1.186 20 30 CDEDLO N#Cc1cccc(CS(=O)(=O)N2CCc3c[nH+]ccc32)c1 ZINC000175317183 356089183 /nfs/dbraw/zinc/08/91/83/356089183.db2.gz KLZDZQHFGWVNKH-UHFFFAOYSA-N 1 2 299.355 1.846 20 30 CDEDLO N#Cc1cccc(S(=O)(=O)N2CCc3c[nH+]ccc32)c1 ZINC000175314697 356089307 /nfs/dbraw/zinc/08/93/07/356089307.db2.gz RQYCSAHKLZHYEG-UHFFFAOYSA-N 1 2 285.328 1.705 20 30 CDEDLO C[C@@H](c1cnccn1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000559259612 356410010 /nfs/dbraw/zinc/41/00/10/356410010.db2.gz PPMZYGJMPFOPFS-ZDUSSCGKSA-N 1 2 294.362 1.626 20 30 CDEDLO N#Cc1c(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)cn2ccccc12 ZINC000329032967 202162679 /nfs/dbraw/zinc/16/26/79/202162679.db2.gz LWPNWBOMUUQOSD-AWEZNQCLSA-N 1 2 294.358 1.618 20 30 CDEDLO N#Cc1c(C[N@H+]2CCN3C(=O)CC[C@H]3C2)cn2ccccc12 ZINC000329032967 202162680 /nfs/dbraw/zinc/16/26/80/202162680.db2.gz LWPNWBOMUUQOSD-AWEZNQCLSA-N 1 2 294.358 1.618 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000299190052 356980081 /nfs/dbraw/zinc/98/00/81/356980081.db2.gz CWVSJFZECWQCRM-CYBMUJFWSA-N 1 2 289.379 1.102 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NCCc1cccs1 ZINC000299267555 357008123 /nfs/dbraw/zinc/00/81/23/357008123.db2.gz LWOSXBMIIGKRIY-CYBMUJFWSA-N 1 2 274.389 1.364 20 30 CDEDLO C[C@@H](C[S@](C)=O)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000185113285 357510270 /nfs/dbraw/zinc/51/02/70/357510270.db2.gz BUDHSGGJEWIDKM-UGZDLDLSSA-N 1 2 299.421 1.257 20 30 CDEDLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000185113285 357510274 /nfs/dbraw/zinc/51/02/74/357510274.db2.gz BUDHSGGJEWIDKM-UGZDLDLSSA-N 1 2 299.421 1.257 20 30 CDEDLO COC[C@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1ccco1 ZINC000184586943 357489017 /nfs/dbraw/zinc/48/90/17/357489017.db2.gz XLMCHFMUXJEKNW-RYUDHWBXSA-N 1 2 279.340 1.317 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000185175048 357518346 /nfs/dbraw/zinc/51/83/46/357518346.db2.gz AJRKRVMDCXSXEM-HNNXBMFYSA-N 1 2 276.311 1.689 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000185175048 357518349 /nfs/dbraw/zinc/51/83/49/357518349.db2.gz AJRKRVMDCXSXEM-HNNXBMFYSA-N 1 2 276.311 1.689 20 30 CDEDLO Cc1cc(NC[C@@H](O)C[N@H+](C)CCC#N)c(C)cc1O ZINC000581126878 357560443 /nfs/dbraw/zinc/56/04/43/357560443.db2.gz GRPFTJWELHHOJV-CYBMUJFWSA-N 1 2 277.368 1.627 20 30 CDEDLO Cc1cc(NC[C@@H](O)C[N@@H+](C)CCC#N)c(C)cc1O ZINC000581126878 357560446 /nfs/dbraw/zinc/56/04/46/357560446.db2.gz GRPFTJWELHHOJV-CYBMUJFWSA-N 1 2 277.368 1.627 20 30 CDEDLO N#Cc1cc(C(=O)Nc2c[nH+]c3n2CCCC3)c[nH]1 ZINC000334665828 357615068 /nfs/dbraw/zinc/61/50/68/357615068.db2.gz PAFFRUBGIWKKEG-UHFFFAOYSA-N 1 2 255.281 1.671 20 30 CDEDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000334898095 357643911 /nfs/dbraw/zinc/64/39/11/357643911.db2.gz IIJCFPKXNLAYJR-LLVKDONJSA-N 1 2 276.315 1.201 20 30 CDEDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000334898095 357643915 /nfs/dbraw/zinc/64/39/15/357643915.db2.gz IIJCFPKXNLAYJR-LLVKDONJSA-N 1 2 276.315 1.201 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)C[C@@H](C)O1 ZINC000187714275 357799141 /nfs/dbraw/zinc/79/91/41/357799141.db2.gz IQUXYGBPHJODOW-TYNCELHUSA-N 1 2 288.347 1.882 20 30 CDEDLO COC(=O)[C@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)C[C@@H](C)O1 ZINC000187714275 357799148 /nfs/dbraw/zinc/79/91/48/357799148.db2.gz IQUXYGBPHJODOW-TYNCELHUSA-N 1 2 288.347 1.882 20 30 CDEDLO C#CCNC(=O)CC[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000294409451 199029246 /nfs/dbraw/zinc/02/92/46/199029246.db2.gz CWNWFSWTWAZZSE-CYBMUJFWSA-N 1 2 282.384 1.082 20 30 CDEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)s1 ZINC000335493969 357919122 /nfs/dbraw/zinc/91/91/22/357919122.db2.gz ATNORQZFJAXQEG-SNVBAGLBSA-N 1 2 286.360 1.695 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)ccc1C#N ZINC000337438402 358037842 /nfs/dbraw/zinc/03/78/42/358037842.db2.gz DXJQJCWUNYMQCO-CQSZACIVSA-N 1 2 278.377 1.486 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)ccc1C#N ZINC000337438402 358037848 /nfs/dbraw/zinc/03/78/48/358037848.db2.gz DXJQJCWUNYMQCO-CQSZACIVSA-N 1 2 278.377 1.486 20 30 CDEDLO N#CC1(C[NH+]2CCC3(CC2)CCS(=O)(=O)CC3)CC1 ZINC000518659938 358535156 /nfs/dbraw/zinc/53/51/56/358535156.db2.gz QRKWUPJLUFCSBV-UHFFFAOYSA-N 1 2 282.409 1.581 20 30 CDEDLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000185124801 358776208 /nfs/dbraw/zinc/77/62/08/358776208.db2.gz JZJYMOMIMDCVEA-YPMLDQLKSA-N 1 2 268.357 1.896 20 30 CDEDLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000185124801 358776213 /nfs/dbraw/zinc/77/62/13/358776213.db2.gz JZJYMOMIMDCVEA-YPMLDQLKSA-N 1 2 268.357 1.896 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000338112047 358872729 /nfs/dbraw/zinc/87/27/29/358872729.db2.gz VIWAFWUTMLYICO-GFCCVEGCSA-N 1 2 287.363 1.317 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](C)O ZINC000159418870 359093163 /nfs/dbraw/zinc/09/31/63/359093163.db2.gz PWKQONUPMVGIIB-GWCFXTLKSA-N 1 2 262.309 1.085 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](C)O ZINC000159418870 359093167 /nfs/dbraw/zinc/09/31/67/359093167.db2.gz PWKQONUPMVGIIB-GWCFXTLKSA-N 1 2 262.309 1.085 20 30 CDEDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000375948258 359190859 /nfs/dbraw/zinc/19/08/59/359190859.db2.gz QSWOPPLXLUYRFY-XCLFUZPHSA-N 1 2 292.404 1.780 20 30 CDEDLO C[C@@H]1CC[S@](=O)CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000375948258 359190862 /nfs/dbraw/zinc/19/08/62/359190862.db2.gz QSWOPPLXLUYRFY-XCLFUZPHSA-N 1 2 292.404 1.780 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1c(C)nc2sccn21 ZINC000268227357 359359528 /nfs/dbraw/zinc/35/95/28/359359528.db2.gz KITJNICPGTWUSM-NSHDSACASA-N 1 2 292.408 1.827 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1c(C)nc2sccn21 ZINC000268227357 359359532 /nfs/dbraw/zinc/35/95/32/359359532.db2.gz KITJNICPGTWUSM-NSHDSACASA-N 1 2 292.408 1.827 20 30 CDEDLO C=CC[C@@H](C)NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000265292536 359326316 /nfs/dbraw/zinc/32/63/16/359326316.db2.gz KPZRBXXFLNQRBC-LLVKDONJSA-N 1 2 262.357 1.911 20 30 CDEDLO C=CCn1nnnc1SCc1cc(OC)cc(C)[nH+]1 ZINC000270122678 359391757 /nfs/dbraw/zinc/39/17/57/359391757.db2.gz KNTMTAUKVOQUON-UHFFFAOYSA-N 1 2 277.353 1.863 20 30 CDEDLO C=CCCOCCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000270535430 359402466 /nfs/dbraw/zinc/40/24/66/359402466.db2.gz WGHXMTWSUHJBQY-CYBMUJFWSA-N 1 2 292.383 1.891 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCCOc1cccc(C)c1)C1CC1 ZINC000274188706 359490773 /nfs/dbraw/zinc/49/07/73/359490773.db2.gz PVQFRZGDQSHMCB-UHFFFAOYSA-N 1 2 286.375 1.588 20 30 CDEDLO C#CC[N@H+](CC(=O)NCCOc1cccc(C)c1)C1CC1 ZINC000274188706 359490779 /nfs/dbraw/zinc/49/07/79/359490779.db2.gz PVQFRZGDQSHMCB-UHFFFAOYSA-N 1 2 286.375 1.588 20 30 CDEDLO C#CCCCc1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000277503541 359565852 /nfs/dbraw/zinc/56/58/52/359565852.db2.gz JZIYMDQFFDNENZ-GFCCVEGCSA-N 1 2 263.341 1.807 20 30 CDEDLO C#CCCCc1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000277503541 359565854 /nfs/dbraw/zinc/56/58/54/359565854.db2.gz JZIYMDQFFDNENZ-GFCCVEGCSA-N 1 2 263.341 1.807 20 30 CDEDLO C[C@@H](Cn1cccn1)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000329086010 296007651 /nfs/dbraw/zinc/00/76/51/296007651.db2.gz GOFHAAUNONXLRT-ZDUSSCGKSA-N 1 2 292.383 1.483 20 30 CDEDLO N#Cc1ccc(NCc2ccc[nH+]c2N2CCOCC2)cn1 ZINC000267357792 360062815 /nfs/dbraw/zinc/06/28/15/360062815.db2.gz HQNDIAFCQKFLCL-UHFFFAOYSA-N 1 2 295.346 1.797 20 30 CDEDLO C[C@]1([NH2+]CCOc2ccccc2C#N)CCOC1=O ZINC000289763589 360956088 /nfs/dbraw/zinc/95/60/88/360956088.db2.gz ZJVQHPQPOJJQGQ-AWEZNQCLSA-N 1 2 260.293 1.232 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cnc(CCOC)s2)nn1 ZINC000631163207 361200684 /nfs/dbraw/zinc/20/06/84/361200684.db2.gz LVCFSPLSGITUNR-UHFFFAOYSA-N 1 2 293.396 1.399 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC#Cc1cccc(F)c1 ZINC000563896665 361370984 /nfs/dbraw/zinc/37/09/84/361370984.db2.gz FJGWMFCXFDOZDF-GFCCVEGCSA-N 1 2 285.322 1.895 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC#Cc1cccc(F)c1 ZINC000563896665 361370986 /nfs/dbraw/zinc/37/09/86/361370986.db2.gz FJGWMFCXFDOZDF-GFCCVEGCSA-N 1 2 285.322 1.895 20 30 CDEDLO C[C@@](C#N)(NC(=O)CN1CCn2cc[nH+]c2C1)C1CC1 ZINC000329314652 361476073 /nfs/dbraw/zinc/47/60/73/361476073.db2.gz HBLLZCAYCVNJLP-AWEZNQCLSA-N 1 2 273.340 1.347 20 30 CDEDLO C[C@@H]1C[C@@H](NC(=O)N2CCn3cc[nH+]c3C2)CCO1 ZINC000329114368 361450249 /nfs/dbraw/zinc/45/02/49/361450249.db2.gz SGDVTVBJWBGMKA-MNOVXSKESA-N 1 2 264.329 1.180 20 30 CDEDLO C=CC[N@@H+](C)Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000154790679 361453600 /nfs/dbraw/zinc/45/36/00/361453600.db2.gz MMDKMSQJFIFZMY-CYBMUJFWSA-N 1 2 283.397 1.035 20 30 CDEDLO C=CC[N@H+](C)Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000154790679 361453609 /nfs/dbraw/zinc/45/36/09/361453609.db2.gz MMDKMSQJFIFZMY-CYBMUJFWSA-N 1 2 283.397 1.035 20 30 CDEDLO CN1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1=O ZINC000192217610 361618849 /nfs/dbraw/zinc/61/88/49/361618849.db2.gz XBXRIJMXNHRCMM-UHFFFAOYSA-N 1 2 261.300 1.361 20 30 CDEDLO CN1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1=O ZINC000192217610 361618852 /nfs/dbraw/zinc/61/88/52/361618852.db2.gz XBXRIJMXNHRCMM-UHFFFAOYSA-N 1 2 261.300 1.361 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)c1F ZINC000300241594 361684706 /nfs/dbraw/zinc/68/47/06/361684706.db2.gz KALRAXQCJGWGMX-CHWSQXEVSA-N 1 2 273.311 1.408 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)c1F ZINC000300241594 361684713 /nfs/dbraw/zinc/68/47/13/361684713.db2.gz KALRAXQCJGWGMX-CHWSQXEVSA-N 1 2 273.311 1.408 20 30 CDEDLO Cc1cc(N2C[C@@H](C)S(=O)[C@H](C)C2)c(C#N)c[nH+]1 ZINC000580555910 363923397 /nfs/dbraw/zinc/92/33/97/363923397.db2.gz KOAPAPSGEUNQJA-GHMZBOCLSA-N 1 2 263.366 1.607 20 30 CDEDLO C=CCCC1(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000526991100 364043946 /nfs/dbraw/zinc/04/39/46/364043946.db2.gz OTHHGDMRHCFIGH-CYBMUJFWSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CCCC1(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000526991100 364043953 /nfs/dbraw/zinc/04/39/53/364043953.db2.gz OTHHGDMRHCFIGH-CYBMUJFWSA-N 1 2 266.385 1.570 20 30 CDEDLO C[C@H]1C[C@H](O)C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000340916707 364257851 /nfs/dbraw/zinc/25/78/51/364257851.db2.gz ALLLPXMOZHNISM-CABZTGNLSA-N 1 2 293.754 1.605 20 30 CDEDLO C[C@H]1C[C@H](O)C[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000340916707 364257856 /nfs/dbraw/zinc/25/78/56/364257856.db2.gz ALLLPXMOZHNISM-CABZTGNLSA-N 1 2 293.754 1.605 20 30 CDEDLO COc1ccc(C(N)=[NH+]OC[C@@H]2CCCO2)cc1 ZINC000170616315 364391574 /nfs/dbraw/zinc/39/15/74/364391574.db2.gz JRGJQXLSBPVSMT-LBPRGKRZSA-N 1 2 250.298 1.511 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCCOc2ccccc2)nn1 ZINC000640859770 364698570 /nfs/dbraw/zinc/69/85/70/364698570.db2.gz SIGGOARCHUIGMY-UHFFFAOYSA-N 1 2 284.363 1.860 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2csc(CCC)n2)nn1 ZINC000640930518 364747273 /nfs/dbraw/zinc/74/72/73/364747273.db2.gz IRWXBSDZDURBOA-UHFFFAOYSA-N 1 2 289.408 1.848 20 30 CDEDLO CCc1ccnc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000563960692 364788136 /nfs/dbraw/zinc/78/81/36/364788136.db2.gz RKMUOPQZGNLPOI-AWEZNQCLSA-N 1 2 260.341 1.218 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)Nc1cc(F)cc(F)c1 ZINC000491298671 364939317 /nfs/dbraw/zinc/93/93/17/364939317.db2.gz WRWIYAVGIDWUDJ-CQSZACIVSA-N 1 2 294.301 1.627 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1cc(F)cc(F)c1 ZINC000491298671 364939321 /nfs/dbraw/zinc/93/93/21/364939321.db2.gz WRWIYAVGIDWUDJ-CQSZACIVSA-N 1 2 294.301 1.627 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CC(=O)c2ccccc2F)nn1 ZINC000641083864 365003132 /nfs/dbraw/zinc/00/31/32/365003132.db2.gz WXAKOGNDPLNZHE-UHFFFAOYSA-N 1 2 286.310 1.413 20 30 CDEDLO C=CC[C@H](C)NC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000354090328 365408477 /nfs/dbraw/zinc/40/84/77/365408477.db2.gz BIQXOMDOAUUUFM-STQMWFEESA-N 1 2 291.399 1.763 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)NC1(C#N)CCOCC1 ZINC000172244581 365499122 /nfs/dbraw/zinc/49/91/22/365499122.db2.gz LOCUVOYZNOJSDX-UHFFFAOYSA-N 1 2 298.346 1.534 20 30 CDEDLO NC(CN1CCOCC1)=[NH+]OCc1ccc2c(c1)CCC2 ZINC000172282817 365507164 /nfs/dbraw/zinc/50/71/64/365507164.db2.gz WJMGARIAQFMVDQ-UHFFFAOYSA-N 1 2 289.379 1.296 20 30 CDEDLO COc1cccc([C@H](NC(=O)CC#N)c2[nH+]ccn2C)c1 ZINC000375382122 370817195 /nfs/dbraw/zinc/81/71/95/370817195.db2.gz VXFIRSFXTHUFBC-AWEZNQCLSA-N 1 2 284.319 1.548 20 30 CDEDLO CC[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCNC1=O ZINC000270749231 366928061 /nfs/dbraw/zinc/92/80/61/366928061.db2.gz JPEFSFBZHNBCRU-ZDUSSCGKSA-N 1 2 261.300 1.408 20 30 CDEDLO CC[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCNC1=O ZINC000270749231 366928069 /nfs/dbraw/zinc/92/80/69/366928069.db2.gz JPEFSFBZHNBCRU-ZDUSSCGKSA-N 1 2 261.300 1.408 20 30 CDEDLO CC(C)[C@]1(C)C[C@H]1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000566975474 370852449 /nfs/dbraw/zinc/85/24/49/370852449.db2.gz CFPHERQSJBIZAT-UBHSHLNASA-N 1 2 251.374 1.629 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000375685665 370908422 /nfs/dbraw/zinc/90/84/22/370908422.db2.gz SZSGKUFFGXDJCL-JSGCOSHPSA-N 1 2 260.341 1.986 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000089153931 370135494 /nfs/dbraw/zinc/13/54/94/370135494.db2.gz NLWZKFKYRMHTOV-HOTGVXAUSA-N 1 2 272.348 1.938 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000089153931 370135496 /nfs/dbraw/zinc/13/54/96/370135496.db2.gz NLWZKFKYRMHTOV-HOTGVXAUSA-N 1 2 272.348 1.938 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CSCc1ccccn1 ZINC000565457299 370448730 /nfs/dbraw/zinc/44/87/30/370448730.db2.gz UHXGTONRNXNFER-CQSZACIVSA-N 1 2 292.408 1.275 20 30 CDEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]2CO)c(C#N)c1C ZINC000050116220 372388697 /nfs/dbraw/zinc/38/86/97/372388697.db2.gz NBXUCMAMQPVJGR-NSHDSACASA-N 1 2 293.392 1.632 20 30 CDEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2CO)c(C#N)c1C ZINC000050116220 372388701 /nfs/dbraw/zinc/38/87/01/372388701.db2.gz NBXUCMAMQPVJGR-NSHDSACASA-N 1 2 293.392 1.632 20 30 CDEDLO C#Cc1cccc(N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC000172769128 372414625 /nfs/dbraw/zinc/41/46/25/372414625.db2.gz MHOPXCVOGOMHQV-OAHLLOKOSA-N 1 2 272.348 1.351 20 30 CDEDLO C#Cc1cccc(N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000172769128 372414629 /nfs/dbraw/zinc/41/46/29/372414629.db2.gz MHOPXCVOGOMHQV-OAHLLOKOSA-N 1 2 272.348 1.351 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)NCCCCn1cc[nH+]c1 ZINC000579081812 372551778 /nfs/dbraw/zinc/55/17/78/372551778.db2.gz MYUMVZSNYZYEFA-CYBMUJFWSA-N 1 2 280.372 1.290 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000181253431 372569602 /nfs/dbraw/zinc/56/96/02/372569602.db2.gz BGRRURPKWNWAHG-SNVBAGLBSA-N 1 2 280.290 1.042 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000181253431 372569609 /nfs/dbraw/zinc/56/96/09/372569609.db2.gz BGRRURPKWNWAHG-SNVBAGLBSA-N 1 2 280.290 1.042 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N(C)Cc1ccc(F)cc1 ZINC000174530437 372592855 /nfs/dbraw/zinc/59/28/55/372592855.db2.gz FDGGCSBLRQXGFM-UHFFFAOYSA-N 1 2 272.323 1.353 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC000578843846 372546236 /nfs/dbraw/zinc/54/62/36/372546236.db2.gz VJTAVFGPZJHGNK-MNOVXSKESA-N 1 2 257.293 1.864 20 30 CDEDLO Cn1cnnc1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000195514703 372962633 /nfs/dbraw/zinc/96/26/33/372962633.db2.gz FPLYAZXEURVINI-UHFFFAOYSA-N 1 2 296.378 1.399 20 30 CDEDLO Cn1cnnc1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000195514703 372962637 /nfs/dbraw/zinc/96/26/37/372962637.db2.gz FPLYAZXEURVINI-UHFFFAOYSA-N 1 2 296.378 1.399 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)Cc1ccc(C#N)cc1 ZINC000348237989 373092027 /nfs/dbraw/zinc/09/20/27/373092027.db2.gz AAKYLBMLCYPDLO-UHFFFAOYSA-N 1 2 281.315 1.821 20 30 CDEDLO CC(C)CCN(CCC#N)CC[N@@H+]1CCO[C@@H](C)C1 ZINC000191527011 373513719 /nfs/dbraw/zinc/51/37/19/373513719.db2.gz AJRQALCPSBOPII-HNNXBMFYSA-N 1 2 267.417 1.969 20 30 CDEDLO CC(C)CCN(CCC#N)CC[N@H+]1CCO[C@@H](C)C1 ZINC000191527011 373513727 /nfs/dbraw/zinc/51/37/27/373513727.db2.gz AJRQALCPSBOPII-HNNXBMFYSA-N 1 2 267.417 1.969 20 30 CDEDLO Cc1cc(F)cc(NC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000584406592 373725203 /nfs/dbraw/zinc/72/52/03/373725203.db2.gz SXISYANWCWLYEA-CQSZACIVSA-N 1 2 265.332 1.752 20 30 CDEDLO Cc1cc(F)cc(NC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000584406592 373725206 /nfs/dbraw/zinc/72/52/06/373725206.db2.gz SXISYANWCWLYEA-CQSZACIVSA-N 1 2 265.332 1.752 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000034928530 373785864 /nfs/dbraw/zinc/78/58/64/373785864.db2.gz QEUJDQLVCVQWSE-UHFFFAOYSA-N 1 2 251.374 1.832 20 30 CDEDLO COc1cc[nH+]cc1NC(=O)c1cnccc1C#N ZINC000358535712 373961655 /nfs/dbraw/zinc/96/16/55/373961655.db2.gz XQYJFOYCPFAEMG-UHFFFAOYSA-N 1 2 254.249 1.609 20 30 CDEDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000371184110 374410729 /nfs/dbraw/zinc/41/07/29/374410729.db2.gz MFWNMBLTFHYLKZ-JTQLQIEISA-N 1 2 261.300 1.408 20 30 CDEDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000371184110 374410731 /nfs/dbraw/zinc/41/07/31/374410731.db2.gz MFWNMBLTFHYLKZ-JTQLQIEISA-N 1 2 261.300 1.408 20 30 CDEDLO C/C(Cl)=C\C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000528469821 374447816 /nfs/dbraw/zinc/44/78/16/374447816.db2.gz CAFDSLGZMXYMED-NYYWCZLTSA-N 1 2 293.802 1.865 20 30 CDEDLO C[C@H]1[N@H+](CC(=O)Nc2cccc(C#N)c2)CCOC1(C)C ZINC000331045566 374882386 /nfs/dbraw/zinc/88/23/86/374882386.db2.gz HSXZKUTZZPMDKN-GFCCVEGCSA-N 1 2 287.363 1.996 20 30 CDEDLO C[C@H]1[N@@H+](CC(=O)Nc2cccc(C#N)c2)CCOC1(C)C ZINC000331045566 374882393 /nfs/dbraw/zinc/88/23/93/374882393.db2.gz HSXZKUTZZPMDKN-GFCCVEGCSA-N 1 2 287.363 1.996 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)C[C@H](C2CC2)O1 ZINC000279455435 374906407 /nfs/dbraw/zinc/90/64/07/374906407.db2.gz ZTQIRMWKRMMKHE-BLLLJJGKSA-N 1 2 299.374 1.996 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)C[C@H](C2CC2)O1 ZINC000279455435 374906413 /nfs/dbraw/zinc/90/64/13/374906413.db2.gz ZTQIRMWKRMMKHE-BLLLJJGKSA-N 1 2 299.374 1.996 20 30 CDEDLO COCC[N@@H+]1CCN(C(=O)c2cc(C#N)oc2C)C[C@H]1C ZINC000280734634 375018656 /nfs/dbraw/zinc/01/86/56/375018656.db2.gz WGFTVBVWGSBFGT-LLVKDONJSA-N 1 2 291.351 1.252 20 30 CDEDLO COCC[N@H+]1CCN(C(=O)c2cc(C#N)oc2C)C[C@H]1C ZINC000280734634 375018659 /nfs/dbraw/zinc/01/86/59/375018659.db2.gz WGFTVBVWGSBFGT-LLVKDONJSA-N 1 2 291.351 1.252 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCOC[C@@H](C)C1 ZINC000332288216 375024588 /nfs/dbraw/zinc/02/45/88/375024588.db2.gz FLXIDOLCLUYXBQ-QWHCGFSZSA-N 1 2 287.363 1.854 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCOC[C@@H](C)C1 ZINC000332288216 375024592 /nfs/dbraw/zinc/02/45/92/375024592.db2.gz FLXIDOLCLUYXBQ-QWHCGFSZSA-N 1 2 287.363 1.854 20 30 CDEDLO CNC(=O)N1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC000282154474 375069732 /nfs/dbraw/zinc/06/97/32/375069732.db2.gz CZKOTSVSXZRJSA-UHFFFAOYSA-N 1 2 288.351 1.024 20 30 CDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccncc1 ZINC000156838879 375110502 /nfs/dbraw/zinc/11/05/02/375110502.db2.gz QOZJAWNNKTUYNL-CYBMUJFWSA-N 1 2 294.362 1.454 20 30 CDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccncc1 ZINC000156838879 375110511 /nfs/dbraw/zinc/11/05/11/375110511.db2.gz QOZJAWNNKTUYNL-CYBMUJFWSA-N 1 2 294.362 1.454 20 30 CDEDLO CCOc1cccc(C[NH+]2CCN(CC#N)CC2)n1 ZINC000129931530 375246971 /nfs/dbraw/zinc/24/69/71/375246971.db2.gz VCYRNIIZHGKZJG-UHFFFAOYSA-N 1 2 260.341 1.121 20 30 CDEDLO CC(C)(C#N)CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000351585379 375309714 /nfs/dbraw/zinc/30/97/14/375309714.db2.gz WSNFOBKSOIAIKA-UHFFFAOYSA-N 1 2 289.383 1.611 20 30 CDEDLO COc1ccc(C(=O)N2CC[NH+](CCCC#N)CC2)cc1 ZINC000132610914 375538407 /nfs/dbraw/zinc/53/84/07/375538407.db2.gz PNFWHMVFROZRDY-UHFFFAOYSA-N 1 2 287.363 1.757 20 30 CDEDLO Cc1[nH]c(C(=O)N[C@H]2CCOC3(CCOCC3)C2)c[nH+]1 ZINC000328752391 375944080 /nfs/dbraw/zinc/94/40/80/375944080.db2.gz CVPAYMLFQROFRR-NSHDSACASA-N 1 2 279.340 1.751 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(N)=O)CC1 ZINC000171379020 376557559 /nfs/dbraw/zinc/55/75/59/376557559.db2.gz FISJNQFRUKEQGB-UHFFFAOYSA-N 1 2 258.325 1.145 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(N)=O)CC1 ZINC000171379020 376557563 /nfs/dbraw/zinc/55/75/63/376557563.db2.gz FISJNQFRUKEQGB-UHFFFAOYSA-N 1 2 258.325 1.145 20 30 CDEDLO C#CCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000160701286 377092993 /nfs/dbraw/zinc/09/29/93/377092993.db2.gz JBIPCKRRZIIWFE-KBPBESRZSA-N 1 2 293.317 1.642 20 30 CDEDLO C#CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000160701286 377093001 /nfs/dbraw/zinc/09/30/01/377093001.db2.gz JBIPCKRRZIIWFE-KBPBESRZSA-N 1 2 293.317 1.642 20 30 CDEDLO C=C1CC(C)(C(=O)N2CCN(C)[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000632615937 377675145 /nfs/dbraw/zinc/67/51/45/377675145.db2.gz QNJDYDSMYSVREH-LBPRGKRZSA-N 1 2 274.368 1.581 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CC)C[C@H](C)C#N ZINC000253357856 377810622 /nfs/dbraw/zinc/81/06/22/377810622.db2.gz JCLIYWVERUQQJF-CHWSQXEVSA-N 1 2 264.373 1.476 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC)C[C@H](C)C#N ZINC000253357856 377810625 /nfs/dbraw/zinc/81/06/25/377810625.db2.gz JCLIYWVERUQQJF-CHWSQXEVSA-N 1 2 264.373 1.476 20 30 CDEDLO C=C(C)CS(=O)(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000280570614 377966286 /nfs/dbraw/zinc/96/62/86/377966286.db2.gz LOLAFFHNJIQNHR-UHFFFAOYSA-N 1 2 279.365 1.638 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)C2(C(=O)OC)CCCC2)C1=O ZINC000281151576 377987575 /nfs/dbraw/zinc/98/75/75/377987575.db2.gz BKLYFCSBMYGBJW-LBPRGKRZSA-N 1 2 280.368 1.191 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)C2(C(=O)OC)CCCC2)C1=O ZINC000281151576 377987582 /nfs/dbraw/zinc/98/75/82/377987582.db2.gz BKLYFCSBMYGBJW-LBPRGKRZSA-N 1 2 280.368 1.191 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]([C@H](CC)C(=O)OCC)C2CC2)C1=O ZINC000281178199 377991063 /nfs/dbraw/zinc/99/10/63/377991063.db2.gz ASZJNTHGVUJTCH-KGLIPLIRSA-N 1 2 294.395 1.579 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]([C@H](CC)C(=O)OCC)C2CC2)C1=O ZINC000281178199 377991065 /nfs/dbraw/zinc/99/10/65/377991065.db2.gz ASZJNTHGVUJTCH-KGLIPLIRSA-N 1 2 294.395 1.579 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](C)C[C@@H]2C(=O)OC)C1=O ZINC000281332870 378000605 /nfs/dbraw/zinc/00/06/05/378000605.db2.gz LYDHYIZGARZNRP-FRRDWIJNSA-N 1 2 280.368 1.047 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C)C[C@@H]2C(=O)OC)C1=O ZINC000281332870 378000610 /nfs/dbraw/zinc/00/06/10/378000610.db2.gz LYDHYIZGARZNRP-FRRDWIJNSA-N 1 2 280.368 1.047 20 30 CDEDLO N#Cc1ccc(NC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000069416995 378081459 /nfs/dbraw/zinc/08/14/59/378081459.db2.gz NEMULSNXRFJPTK-UHFFFAOYSA-N 1 2 274.324 1.012 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000284032057 378133867 /nfs/dbraw/zinc/13/38/67/378133867.db2.gz RDAOTOFMTAGSLM-UHFFFAOYSA-N 1 2 293.392 1.333 20 30 CDEDLO CC#CC[C@@H](CO)Nc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000645403495 378134337 /nfs/dbraw/zinc/13/43/37/378134337.db2.gz BZSCFBZCVKBKBD-HNNXBMFYSA-N 1 2 296.374 1.709 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cnc(COC)s2)CC1 ZINC000286338032 378206120 /nfs/dbraw/zinc/20/61/20/378206120.db2.gz IMAPZGRIQANTPZ-UHFFFAOYSA-N 1 2 293.392 1.071 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000192238876 378178066 /nfs/dbraw/zinc/17/80/66/378178066.db2.gz DUMFBKMOMFCBKT-UHFFFAOYSA-N 1 2 268.263 1.792 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000192238876 378178068 /nfs/dbraw/zinc/17/80/68/378178068.db2.gz DUMFBKMOMFCBKT-UHFFFAOYSA-N 1 2 268.263 1.792 20 30 CDEDLO C=C[C@H](CO)Nc1nc(N[C@H](C=C)CO)c(Cl)c[nH+]1 ZINC000291162917 378433827 /nfs/dbraw/zinc/43/38/27/378433827.db2.gz QEOKELGVBGGOQM-RKDXNWHRSA-N 1 2 284.747 1.048 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000292903947 378527473 /nfs/dbraw/zinc/52/74/73/378527473.db2.gz AOZPJTVVBQFAOQ-UHFFFAOYSA-N 1 2 291.307 1.497 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000292903947 378527477 /nfs/dbraw/zinc/52/74/77/378527477.db2.gz AOZPJTVVBQFAOQ-UHFFFAOYSA-N 1 2 291.307 1.497 20 30 CDEDLO CC#CC[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000293294998 378553546 /nfs/dbraw/zinc/55/35/46/378553546.db2.gz WEUXIFALXXLLND-UHFFFAOYSA-N 1 2 276.292 1.916 20 30 CDEDLO CC#CC[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000293294998 378553549 /nfs/dbraw/zinc/55/35/49/378553549.db2.gz WEUXIFALXXLLND-UHFFFAOYSA-N 1 2 276.292 1.916 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000293319625 378555808 /nfs/dbraw/zinc/55/58/08/378555808.db2.gz XNGWMUFAEXINPJ-LBPRGKRZSA-N 1 2 260.337 1.977 20 30 CDEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000293319625 378555812 /nfs/dbraw/zinc/55/58/12/378555812.db2.gz XNGWMUFAEXINPJ-LBPRGKRZSA-N 1 2 260.337 1.977 20 30 CDEDLO C=CCCCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000366824643 378734741 /nfs/dbraw/zinc/73/47/41/378734741.db2.gz IAEGNXVYHNIQAQ-AWEZNQCLSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CCCCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000366824643 378734744 /nfs/dbraw/zinc/73/47/44/378734744.db2.gz IAEGNXVYHNIQAQ-AWEZNQCLSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc3c(C)cccn23)C1=O ZINC000343609024 378926048 /nfs/dbraw/zinc/92/60/48/378926048.db2.gz VZMAEZGCJZUXML-OAHLLOKOSA-N 1 2 298.390 1.861 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc3c(C)cccn23)C1=O ZINC000343609024 378926053 /nfs/dbraw/zinc/92/60/53/378926053.db2.gz VZMAEZGCJZUXML-OAHLLOKOSA-N 1 2 298.390 1.861 20 30 CDEDLO C=CCN1CC[C@@H](N(C)Cc2c[nH+]c3c(C)cccn23)C1=O ZINC000343609024 378926059 /nfs/dbraw/zinc/92/60/59/378926059.db2.gz VZMAEZGCJZUXML-OAHLLOKOSA-N 1 2 298.390 1.861 20 30 CDEDLO C[N@@H+]1CCO[C@@H](C(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 ZINC000173867424 379326708 /nfs/dbraw/zinc/32/67/08/379326708.db2.gz XEOZQQBQUPZIIG-MRXNPFEDSA-N 1 2 299.374 1.380 20 30 CDEDLO C[N@H+]1CCO[C@@H](C(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 ZINC000173867424 379326716 /nfs/dbraw/zinc/32/67/16/379326716.db2.gz XEOZQQBQUPZIIG-MRXNPFEDSA-N 1 2 299.374 1.380 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CCO[C@@H](CC(=O)OC)C2)cc1 ZINC000278923477 194215488 /nfs/dbraw/zinc/21/54/88/194215488.db2.gz KRHHCESKMCDWRX-HNNXBMFYSA-N 1 2 273.332 1.432 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CCO[C@@H](CC(=O)OC)C2)cc1 ZINC000278923477 194215489 /nfs/dbraw/zinc/21/54/89/194215489.db2.gz KRHHCESKMCDWRX-HNNXBMFYSA-N 1 2 273.332 1.432 20 30 CDEDLO C#CC(C)(C)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000279295022 194371995 /nfs/dbraw/zinc/37/19/95/194371995.db2.gz PRXFBOBDWDTMRF-UHFFFAOYSA-N 1 2 275.308 1.877 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000279295022 194371996 /nfs/dbraw/zinc/37/19/96/194371996.db2.gz PRXFBOBDWDTMRF-UHFFFAOYSA-N 1 2 275.308 1.877 20 30 CDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)/C=C/c3cccc(C#N)c3)C[C@H]21 ZINC000492128377 253161024 /nfs/dbraw/zinc/16/10/24/253161024.db2.gz FBZUNHSOUFLWHH-DOOVEFGSSA-N 1 2 297.358 1.113 20 30 CDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)/C=C/c3cccc(C#N)c3)C[C@H]21 ZINC000492128377 253161026 /nfs/dbraw/zinc/16/10/26/253161026.db2.gz FBZUNHSOUFLWHH-DOOVEFGSSA-N 1 2 297.358 1.113 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](CCCC)C(=O)OC)C1=O ZINC000281498637 195264743 /nfs/dbraw/zinc/26/47/43/195264743.db2.gz XYDHECRBZJBMCE-QWHCGFSZSA-N 1 2 282.384 1.437 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](CCCC)C(=O)OC)C1=O ZINC000281498637 195264744 /nfs/dbraw/zinc/26/47/44/195264744.db2.gz XYDHECRBZJBMCE-QWHCGFSZSA-N 1 2 282.384 1.437 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000192234066 262200302 /nfs/dbraw/zinc/20/03/02/262200302.db2.gz GYCUFHRASMFALC-AWEZNQCLSA-N 1 2 269.348 1.887 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000192234066 262200303 /nfs/dbraw/zinc/20/03/03/262200303.db2.gz GYCUFHRASMFALC-AWEZNQCLSA-N 1 2 269.348 1.887 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccnn1C1CCCC1 ZINC000575049751 335058916 /nfs/dbraw/zinc/05/89/16/335058916.db2.gz MVZIHCCKSAGSJO-HNNXBMFYSA-N 1 2 289.383 1.572 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1CNc1[nH+]cnc2c1cnn2C ZINC000281700546 195343610 /nfs/dbraw/zinc/34/36/10/195343610.db2.gz HDDSENCYNHFNFF-CMPLNLGQSA-N 1 2 273.340 1.756 20 30 CDEDLO CC(C)(C)n1cc(C[NH+]2CCN(CC#N)CC2)cn1 ZINC000105866111 390520859 /nfs/dbraw/zinc/52/08/59/390520859.db2.gz YQUWOKXVASQGBD-UHFFFAOYSA-N 1 2 261.373 1.279 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCc3n[nH]cc3C2)cc1F ZINC000335684478 390673252 /nfs/dbraw/zinc/67/32/52/390673252.db2.gz LGPBTUTXNOGQDP-UHFFFAOYSA-N 1 2 256.284 1.979 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCc3n[nH]cc3C2)cc1F ZINC000335684478 390673254 /nfs/dbraw/zinc/67/32/54/390673254.db2.gz LGPBTUTXNOGQDP-UHFFFAOYSA-N 1 2 256.284 1.979 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC(C)(C)O1 ZINC000049177310 390680604 /nfs/dbraw/zinc/68/06/04/390680604.db2.gz KCBCGJSESXUCCA-ABAIWWIYSA-N 1 2 279.384 1.294 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC(C)(C)O1 ZINC000049177310 390680607 /nfs/dbraw/zinc/68/06/07/390680607.db2.gz KCBCGJSESXUCCA-ABAIWWIYSA-N 1 2 279.384 1.294 20 30 CDEDLO C[C@H](O[NH+]=C(N)CCO)c1nc(-c2ccccc2)no1 ZINC000121386154 390885390 /nfs/dbraw/zinc/88/53/90/390885390.db2.gz KOAURHJSQIWJSU-VIFPVBQESA-N 1 2 276.296 1.469 20 30 CDEDLO C[C@H](c1ccccc1)[C@@H]([NH2+]CC1(C#N)CC1)C(N)=O ZINC000428833518 390913978 /nfs/dbraw/zinc/91/39/78/390913978.db2.gz IYUDTTBVHUWAAO-DGCLKSJQSA-N 1 2 257.337 1.537 20 30 CDEDLO C#C[C@H](C)NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373064923 391104059 /nfs/dbraw/zinc/10/40/59/391104059.db2.gz ZJMJQWUUSKDYCZ-RYUDHWBXSA-N 1 2 260.341 1.331 20 30 CDEDLO Cc1nc(CNC(=O)N2CCn3c[nH+]cc3C2)sc1C ZINC000329622557 391041076 /nfs/dbraw/zinc/04/10/76/391041076.db2.gz RUASNLGJTNAFRZ-UHFFFAOYSA-N 1 2 291.380 1.886 20 30 CDEDLO C[C@]1(CNC([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CCOC1 ZINC000329629655 391047456 /nfs/dbraw/zinc/04/74/56/391047456.db2.gz VDPIPYFEGGZCIN-IINYFYTJSA-N 1 2 278.356 1.197 20 30 CDEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352464002 391148554 /nfs/dbraw/zinc/14/85/54/391148554.db2.gz NLLLCCIQJSEREF-GFCCVEGCSA-N 1 2 267.348 1.715 20 30 CDEDLO C[C@@H]1CC[C@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000345286711 391117481 /nfs/dbraw/zinc/11/74/81/391117481.db2.gz NLLFCGDLODPXET-CABCVRRESA-N 1 2 293.411 1.497 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373584900 391123922 /nfs/dbraw/zinc/12/39/22/391123922.db2.gz WBJXWTNZBSVXBU-RYUDHWBXSA-N 1 2 260.341 1.454 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000491486877 391145792 /nfs/dbraw/zinc/14/57/92/391145792.db2.gz YSHRZXMCIWRGSK-OAHLLOKOSA-N 1 2 270.332 1.661 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000491486877 391145799 /nfs/dbraw/zinc/14/57/99/391145799.db2.gz YSHRZXMCIWRGSK-OAHLLOKOSA-N 1 2 270.332 1.661 20 30 CDEDLO C=C[C@H](C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000338052281 391179822 /nfs/dbraw/zinc/17/98/22/391179822.db2.gz SVJBXVTUYMAOBZ-ZDUSSCGKSA-N 1 2 274.368 1.483 20 30 CDEDLO CC[C@@H](C)NC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(OC)cc1 ZINC000178140347 391182249 /nfs/dbraw/zinc/18/22/49/391182249.db2.gz YYNFIIJLEFIBJD-GHMZBOCLSA-N 1 2 293.367 1.635 20 30 CDEDLO Cc1cccc(CCCO[NH+]=C(N)CN2CCOCC2)c1 ZINC000183173160 391255332 /nfs/dbraw/zinc/25/53/32/391255332.db2.gz XMFKCRKNYXBVFY-UHFFFAOYSA-N 1 2 291.395 1.549 20 30 CDEDLO Cc1cnc(N2CC[NH+](CCCC#N)CC2)s1 ZINC000267454464 391196644 /nfs/dbraw/zinc/19/66/44/391196644.db2.gz SKHMXLILPYYGJU-UHFFFAOYSA-N 1 2 250.371 1.877 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(F)cc1 ZINC000267648192 391201332 /nfs/dbraw/zinc/20/13/32/391201332.db2.gz XCMHVKUTENSIMV-GFCCVEGCSA-N 1 2 252.289 1.411 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(F)cc1 ZINC000267648192 391201333 /nfs/dbraw/zinc/20/13/33/391201333.db2.gz XCMHVKUTENSIMV-GFCCVEGCSA-N 1 2 252.289 1.411 20 30 CDEDLO C=C1CC[NH+](CC(=O)Nc2cccc(C(=O)OC)n2)CC1 ZINC000346245546 391345420 /nfs/dbraw/zinc/34/54/20/391345420.db2.gz DMXROJQQLIUXTG-UHFFFAOYSA-N 1 2 289.335 1.459 20 30 CDEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1OC ZINC000339766854 391355244 /nfs/dbraw/zinc/35/52/44/391355244.db2.gz UWDIPOAQFNDEQR-GFCCVEGCSA-N 1 2 260.337 1.977 20 30 CDEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1OC ZINC000339766854 391355247 /nfs/dbraw/zinc/35/52/47/391355247.db2.gz UWDIPOAQFNDEQR-GFCCVEGCSA-N 1 2 260.337 1.977 20 30 CDEDLO COc1ccc(O)c(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)c1 ZINC000330597863 391452665 /nfs/dbraw/zinc/45/26/65/391452665.db2.gz FBOMVFWMXJKDJP-NSHDSACASA-N 1 2 294.351 1.426 20 30 CDEDLO COc1ccc(O)c(C(=O)NCC[N@H+]2CCOC[C@@H]2C)c1 ZINC000330597863 391452667 /nfs/dbraw/zinc/45/26/67/391452667.db2.gz FBOMVFWMXJKDJP-NSHDSACASA-N 1 2 294.351 1.426 20 30 CDEDLO CC(C)[NH+]1CC(NC(=O)c2ccc(C#N)c(O)c2)C1 ZINC000457727570 391573249 /nfs/dbraw/zinc/57/32/49/391573249.db2.gz STPUWDUFVGVBEX-UHFFFAOYSA-N 1 2 259.309 1.086 20 30 CDEDLO C=C[C@@H](C)NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000362380822 391722402 /nfs/dbraw/zinc/72/24/02/391722402.db2.gz SRJKZRXHIVVDFN-GFCCVEGCSA-N 1 2 290.367 1.292 20 30 CDEDLO O=C(NC[C@@H]1CCCCS1)N1CCn2cc[nH+]c2C1 ZINC000329725421 391760172 /nfs/dbraw/zinc/76/01/72/391760172.db2.gz DLIZNQFMDBKZNE-NSHDSACASA-N 1 2 280.397 1.898 20 30 CDEDLO O=C(NCC[C@@H]1CCOC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329763834 391774996 /nfs/dbraw/zinc/77/49/96/391774996.db2.gz UZYNVHWYHGYSEQ-CHWSQXEVSA-N 1 2 292.383 1.930 20 30 CDEDLO CC[C@]1(O)CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329744635 391768871 /nfs/dbraw/zinc/76/88/71/391768871.db2.gz QUTRKSWCGWGWJE-YGRLFVJLSA-N 1 2 278.356 1.028 20 30 CDEDLO CC[C@]1(O)CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329744635 391768875 /nfs/dbraw/zinc/76/88/75/391768875.db2.gz QUTRKSWCGWGWJE-YGRLFVJLSA-N 1 2 278.356 1.028 20 30 CDEDLO CC(=O)N1CC(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)C1 ZINC000329951479 391805251 /nfs/dbraw/zinc/80/52/51/391805251.db2.gz MJNVCHBKUVBSHE-UHFFFAOYSA-N 1 2 298.346 1.716 20 30 CDEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccc2c(c1)OCCO2 ZINC000330295869 391817953 /nfs/dbraw/zinc/81/79/53/391817953.db2.gz FXINOPJAXISRDB-LBPRGKRZSA-N 1 2 299.330 1.974 20 30 CDEDLO C[C@@H](CNC(=O)c1ccc(C#N)s1)Cn1cc[nH+]c1 ZINC000487567245 391829737 /nfs/dbraw/zinc/82/97/37/391829737.db2.gz FHNZEXNICMZODO-JTQLQIEISA-N 1 2 274.349 1.882 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000372259887 391844629 /nfs/dbraw/zinc/84/46/29/391844629.db2.gz DMPNTOQZPYLULY-OAHLLOKOSA-N 1 2 280.412 1.912 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000372259887 391844631 /nfs/dbraw/zinc/84/46/31/391844631.db2.gz DMPNTOQZPYLULY-OAHLLOKOSA-N 1 2 280.412 1.912 20 30 CDEDLO CC1(C)C[N@H+](Cc2ccccc2C#N)C[C@H](CO)O1 ZINC000163117540 391902342 /nfs/dbraw/zinc/90/23/42/391902342.db2.gz KPFMCUITPHCXQZ-CQSZACIVSA-N 1 2 260.337 1.530 20 30 CDEDLO CC1(C)C[N@@H+](Cc2ccccc2C#N)C[C@H](CO)O1 ZINC000163117540 391902345 /nfs/dbraw/zinc/90/23/45/391902345.db2.gz KPFMCUITPHCXQZ-CQSZACIVSA-N 1 2 260.337 1.530 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N[C@@H](C)CC)n1 ZINC000279687365 392213926 /nfs/dbraw/zinc/21/39/26/392213926.db2.gz HHGZGGQSYDTRDQ-UONOGXRCSA-N 1 2 290.411 1.641 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N[C@@H](C)CC)n1 ZINC000279687365 392213930 /nfs/dbraw/zinc/21/39/30/392213930.db2.gz HHGZGGQSYDTRDQ-UONOGXRCSA-N 1 2 290.411 1.641 20 30 CDEDLO COCC[NH+](CCOC)Cc1cn2ccccc2c1C#N ZINC000247906642 131107611 /nfs/dbraw/zinc/10/76/11/131107611.db2.gz XIHZZEBCESUOLC-UHFFFAOYSA-N 1 2 287.363 1.906 20 30 CDEDLO C=C[C@H](O)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000646627630 392602534 /nfs/dbraw/zinc/60/25/34/392602534.db2.gz XZQWHGDVMWFIEY-STQMWFEESA-N 1 2 289.310 1.312 20 30 CDEDLO CCN(C)c1ccc(CNc2n[nH]c(C)c2C#N)c[nH+]1 ZINC000419749231 392895310 /nfs/dbraw/zinc/89/53/10/392895310.db2.gz VSPNBWWOWZQNOK-UHFFFAOYSA-N 1 2 270.340 1.475 20 30 CDEDLO Cc1cc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)ccc1C#N ZINC000489009747 392865212 /nfs/dbraw/zinc/86/52/12/392865212.db2.gz KOJBRUYTDNJKSO-WFASDCNBSA-N 1 2 260.337 1.448 20 30 CDEDLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)ccc1C#N ZINC000489009747 392865216 /nfs/dbraw/zinc/86/52/16/392865216.db2.gz KOJBRUYTDNJKSO-WFASDCNBSA-N 1 2 260.337 1.448 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000268575096 132029675 /nfs/dbraw/zinc/02/96/75/132029675.db2.gz REURIORKYBRIOZ-LBPRGKRZSA-N 1 2 297.314 1.168 20 30 CDEDLO CC(=O)NC[C@@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425218629 392995483 /nfs/dbraw/zinc/99/54/83/392995483.db2.gz YWZSXVKSTDQVLL-ZDUSSCGKSA-N 1 2 272.352 1.614 20 30 CDEDLO Cc1cc(NCc2ccnc(N(C)C)n2)c(C#N)c[nH+]1 ZINC000425244797 393002215 /nfs/dbraw/zinc/00/22/15/393002215.db2.gz HXAYOZQVTVEADA-UHFFFAOYSA-N 1 2 268.324 1.152 20 30 CDEDLO COC(=O)[C@H]1CN(c2cc(C)[nH+]cc2C#N)C[C@@H](C)O1 ZINC000425255837 393007495 /nfs/dbraw/zinc/00/74/95/393007495.db2.gz QHLOHONNLTYORO-ZWNOBZJWSA-N 1 2 275.308 1.028 20 30 CDEDLO N#Cc1cc(C(=O)NCCc2cn3ccccc3[nH+]2)ccn1 ZINC000192473311 140141522 /nfs/dbraw/zinc/14/15/22/140141522.db2.gz ULIQKRAXSFWZFA-UHFFFAOYSA-N 1 2 291.314 1.573 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNc2nnc(C)c(C)c2C#N)CCO1 ZINC000343111961 152035243 /nfs/dbraw/zinc/03/52/43/152035243.db2.gz UPZOOOYFZLPKNN-CYBMUJFWSA-N 1 2 289.383 1.488 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNc2nnc(C)c(C)c2C#N)CCO1 ZINC000343111961 152035245 /nfs/dbraw/zinc/03/52/45/152035245.db2.gz UPZOOOYFZLPKNN-CYBMUJFWSA-N 1 2 289.383 1.488 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c(F)c1 ZINC000375583255 160393795 /nfs/dbraw/zinc/39/37/95/160393795.db2.gz NFYMIBKTVANVNN-HNNXBMFYSA-N 1 2 289.310 1.772 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)c(F)c1 ZINC000375583255 160393796 /nfs/dbraw/zinc/39/37/96/160393796.db2.gz NFYMIBKTVANVNN-HNNXBMFYSA-N 1 2 289.310 1.772 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1 ZINC000020301883 171139459 /nfs/dbraw/zinc/13/94/59/171139459.db2.gz MKNUZNYUQLMPJZ-UHFFFAOYSA-N 1 2 290.348 1.123 20 30 CDEDLO C=CCNC(=O)C[S@](=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000285116214 196200505 /nfs/dbraw/zinc/20/05/05/196200505.db2.gz MZTIXWVZXGVUOH-HXUWFJFHSA-N 1 2 291.376 1.194 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1c(F)cncc1F ZINC000285518139 196312391 /nfs/dbraw/zinc/31/23/91/196312391.db2.gz DSWYHYBMGBZNHC-RKDXNWHRSA-N 1 2 269.295 1.701 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1nc(-c2ccc(CC)cc2)no1 ZINC000662167407 414546642 /nfs/dbraw/zinc/54/66/42/414546642.db2.gz CUMFASRRWVBDFS-CYBMUJFWSA-N 1 2 273.336 1.936 20 30 CDEDLO C#CC[NH+]1CCN(Cn2nc(C(C)(C)C)[nH]c2=S)CC1 ZINC000044756740 175245842 /nfs/dbraw/zinc/24/58/42/175245842.db2.gz LBKHQUODGOBQAF-UHFFFAOYSA-N 1 2 293.440 1.446 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@H]1C(=O)OCC ZINC000071010324 176020873 /nfs/dbraw/zinc/02/08/73/176020873.db2.gz OCINOHSWKUEAJD-AWEZNQCLSA-N 1 2 294.395 1.605 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@H]1C(=O)OCC ZINC000071010324 176020874 /nfs/dbraw/zinc/02/08/74/176020874.db2.gz OCINOHSWKUEAJD-AWEZNQCLSA-N 1 2 294.395 1.605 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000076843165 177117704 /nfs/dbraw/zinc/11/77/04/177117704.db2.gz AFKAZVIQAWAFAB-UHFFFAOYSA-N 1 2 277.393 1.868 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2sccc2C1 ZINC000076843165 177117705 /nfs/dbraw/zinc/11/77/05/177117705.db2.gz AFKAZVIQAWAFAB-UHFFFAOYSA-N 1 2 277.393 1.868 20 30 CDEDLO N#CCCCCS(=O)(=O)Cc1cn2ccccc2[nH+]1 ZINC000077473948 177272827 /nfs/dbraw/zinc/27/28/27/177272827.db2.gz VZXULNDOVAAULN-UHFFFAOYSA-N 1 2 277.349 1.943 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352686314 227161389 /nfs/dbraw/zinc/16/13/89/227161389.db2.gz NAYWLEUROGXIJR-IJLUTSLNSA-N 1 2 289.301 1.923 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352686314 227161393 /nfs/dbraw/zinc/16/13/93/227161393.db2.gz NAYWLEUROGXIJR-IJLUTSLNSA-N 1 2 289.301 1.923 20 30 CDEDLO Cc1n[nH]c(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)n1 ZINC000330025338 228019260 /nfs/dbraw/zinc/01/92/60/228019260.db2.gz AVBHDQNXBLOHNF-NSHDSACASA-N 1 2 279.388 1.877 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCCSC1 ZINC000330120175 228043605 /nfs/dbraw/zinc/04/36/05/228043605.db2.gz IUGPGBPJDLGHKS-NEPJUHHUSA-N 1 2 287.429 1.106 20 30 CDEDLO Cc1nnccc1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000330121348 228044411 /nfs/dbraw/zinc/04/44/11/228044411.db2.gz JNKAEHGGOOHWOW-LLVKDONJSA-N 1 2 286.339 1.554 20 30 CDEDLO Cc1n[nH]c(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)n1 ZINC000330213954 228068816 /nfs/dbraw/zinc/06/88/16/228068816.db2.gz FSVTXYYPLSHBHQ-NSHDSACASA-N 1 2 263.345 1.239 20 30 CDEDLO Cc1n[nH]c(CCNC(=O)[C@@H]2CCC[N@H+]2C2CC2)n1 ZINC000330213954 228068817 /nfs/dbraw/zinc/06/88/17/228068817.db2.gz FSVTXYYPLSHBHQ-NSHDSACASA-N 1 2 263.345 1.239 20 30 CDEDLO [O-]C(N[C@H]1CCCC[C@H]1CO)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330276602 228089566 /nfs/dbraw/zinc/08/95/66/228089566.db2.gz NDLHRYCKVGLKPT-XQQFMLRXSA-N 1 2 292.383 1.253 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@H]1CCCC[C@H]1CO ZINC000330276602 228089568 /nfs/dbraw/zinc/08/95/68/228089568.db2.gz NDLHRYCKVGLKPT-XQQFMLRXSA-N 1 2 292.383 1.253 20 30 CDEDLO C[C@@H](NC(=O)C1(C#N)CCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000408078424 260217397 /nfs/dbraw/zinc/21/73/97/260217397.db2.gz CFEYRMGEXWEEJB-CHWSQXEVSA-N 1 2 279.384 1.296 20 30 CDEDLO N#CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000153539325 261080087 /nfs/dbraw/zinc/08/00/87/261080087.db2.gz UEJIIHPJABWYDM-AWEZNQCLSA-N 1 2 273.336 1.090 20 30 CDEDLO C=CCOCC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000361560943 261337257 /nfs/dbraw/zinc/33/72/57/261337257.db2.gz BRHUZSMRNDWHLR-CYBMUJFWSA-N 1 2 277.368 1.404 20 30 CDEDLO CC(C)(C)OC(=O)c1cccc(CO[NH+]=C(N)CCO)c1 ZINC000192557665 262205151 /nfs/dbraw/zinc/20/51/51/262205151.db2.gz XVANKSLNWJWCHL-UHFFFAOYSA-N 1 2 294.351 1.813 20 30 CDEDLO C[C@@H]1C[C@@H](NC(=O)Nc2cccc(C#N)n2)c2[nH+]ccn21 ZINC000516649674 262340023 /nfs/dbraw/zinc/34/00/23/262340023.db2.gz YLPRKIYBEVXLRL-MWLCHTKSSA-N 1 2 282.307 1.977 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N[C@@H](C)C[NH+]1CCOCC1)OCC ZINC000339420937 262640284 /nfs/dbraw/zinc/64/02/84/262640284.db2.gz JGUWCDCIEWMYFV-UONOGXRCSA-N 1 2 284.400 1.195 20 30 CDEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)CCn2cc[nH+]c2)C1 ZINC000265319570 262906179 /nfs/dbraw/zinc/90/61/79/262906179.db2.gz DDWJUVIWEGUYST-TZMCWYRMSA-N 1 2 260.341 1.862 20 30 CDEDLO CC(C)(C)c1nc(CO[NH+]=C(N)[C@@H]2CCCO2)no1 ZINC000284621471 263087608 /nfs/dbraw/zinc/08/76/08/263087608.db2.gz ZPEVRBBOOQTTEE-QMMMGPOBSA-N 1 2 268.317 1.335 20 30 CDEDLO COc1ccc(O)c(/C=[NH+]/C[C@H]2CCCS(=O)(=O)C2)c1 ZINC000287365056 263101722 /nfs/dbraw/zinc/10/17/22/263101722.db2.gz YPTNANUMBPWWNB-BTAWCLGRSA-N 1 2 297.376 1.645 20 30 CDEDLO C[N@H+](Cc1ncnn1CC(F)F)[C@@H]1CC[C@@H](C#N)C1 ZINC000294287704 263159354 /nfs/dbraw/zinc/15/93/54/263159354.db2.gz WHWQRIWSKYRQJH-NXEZZACHSA-N 1 2 269.299 1.667 20 30 CDEDLO C[N@@H+](Cc1ncnn1CC(F)F)[C@@H]1CC[C@@H](C#N)C1 ZINC000294287704 263159355 /nfs/dbraw/zinc/15/93/55/263159355.db2.gz WHWQRIWSKYRQJH-NXEZZACHSA-N 1 2 269.299 1.667 20 30 CDEDLO CC(C)[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)c1[nH]cc[nH+]1 ZINC000296263954 263188494 /nfs/dbraw/zinc/18/84/94/263188494.db2.gz YJKMPUSOINWNSL-QWRGUYRKSA-N 1 2 299.400 1.175 20 30 CDEDLO C#CCCCCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000120050742 263281157 /nfs/dbraw/zinc/28/11/57/263281157.db2.gz CFQGYVXSJKHXKU-CQSZACIVSA-N 1 2 271.364 1.970 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000121305358 263293234 /nfs/dbraw/zinc/29/32/34/263293234.db2.gz UHCIXQPYEKDZHY-UHFFFAOYSA-N 1 2 268.386 1.892 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000121305358 263293235 /nfs/dbraw/zinc/29/32/35/263293235.db2.gz UHCIXQPYEKDZHY-UHFFFAOYSA-N 1 2 268.386 1.892 20 30 CDEDLO CC#CCN(C)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000341056793 263320040 /nfs/dbraw/zinc/32/00/40/263320040.db2.gz YVUCGWMPRDKWHX-UHFFFAOYSA-N 1 2 286.375 1.614 20 30 CDEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1c(F)cccc1F ZINC000341305624 263333245 /nfs/dbraw/zinc/33/32/45/263333245.db2.gz CSHVNWBZIIRWCN-SECBINFHSA-N 1 2 297.305 1.627 20 30 CDEDLO C=CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccco1 ZINC000353671811 263362100 /nfs/dbraw/zinc/36/21/00/263362100.db2.gz LZDPAUHKZJGTPR-HIFRSBDPSA-N 1 2 264.369 1.943 20 30 CDEDLO C=CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccco1 ZINC000353671811 263362102 /nfs/dbraw/zinc/36/21/02/263362102.db2.gz LZDPAUHKZJGTPR-HIFRSBDPSA-N 1 2 264.369 1.943 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2cc(=O)c(OC)co2)CC1 ZINC000341999773 263375380 /nfs/dbraw/zinc/37/53/80/263375380.db2.gz VELKQFBGUCPWER-UHFFFAOYSA-N 1 2 292.335 1.401 20 30 CDEDLO N#CCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000343015566 263564612 /nfs/dbraw/zinc/56/46/12/263564612.db2.gz QZGUFNTVSSAZHE-GFCCVEGCSA-N 1 2 254.293 1.571 20 30 CDEDLO CC(C)=CCCNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000331061257 264111101 /nfs/dbraw/zinc/11/11/01/264111101.db2.gz CDHIOWFYZIYFRW-ZDUSSCGKSA-N 1 2 269.389 1.567 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331324395 264190307 /nfs/dbraw/zinc/19/03/07/264190307.db2.gz NLZYYXHNPPSJCN-KGLIPLIRSA-N 1 2 295.427 1.741 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331324395 264190308 /nfs/dbraw/zinc/19/03/08/264190308.db2.gz NLZYYXHNPPSJCN-KGLIPLIRSA-N 1 2 295.427 1.741 20 30 CDEDLO C=C[C@@H](C)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000333975156 264226445 /nfs/dbraw/zinc/22/64/45/264226445.db2.gz GUGPOUPPPILNCD-NEPJUHHUSA-N 1 2 260.341 1.534 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000045839194 423866846 /nfs/dbraw/zinc/86/68/46/423866846.db2.gz GJQYUCKWVVQIDB-STQMWFEESA-N 1 2 254.374 1.520 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000045839194 423866857 /nfs/dbraw/zinc/86/68/57/423866857.db2.gz GJQYUCKWVVQIDB-STQMWFEESA-N 1 2 254.374 1.520 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@](C)(CO)c2ccccc2)nn1 ZINC000653554599 424275046 /nfs/dbraw/zinc/27/50/46/424275046.db2.gz LVKDOSTXIWZDDN-MRXNPFEDSA-N 1 2 286.379 1.852 20 30 CDEDLO CCOC(=O)c1noc(C[NH+]2CCC(CCC#N)CC2)n1 ZINC000519148676 265337741 /nfs/dbraw/zinc/33/77/41/265337741.db2.gz MCDKMVPALILCDC-UHFFFAOYSA-N 1 2 292.339 1.762 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000652676674 424633157 /nfs/dbraw/zinc/63/31/57/424633157.db2.gz FRWUECCHPGPPLD-AGIUHOORSA-N 1 2 290.367 1.514 20 30 CDEDLO C=CCCC1(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)CC1 ZINC000356227948 266077300 /nfs/dbraw/zinc/07/73/00/266077300.db2.gz SCRXDCIWPZPSFA-GJZGRUSLSA-N 1 2 292.423 1.912 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1C ZINC000356751568 266169057 /nfs/dbraw/zinc/16/90/57/266169057.db2.gz LXJIBCLWODQYNR-GZBFAFLISA-N 1 2 279.384 1.248 20 30 CDEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)CC#N ZINC000356758879 266169678 /nfs/dbraw/zinc/16/96/78/266169678.db2.gz MTUPMBJISRKCPL-UHFFFAOYSA-N 1 2 268.320 1.803 20 30 CDEDLO CC#CCCNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000361640378 266861523 /nfs/dbraw/zinc/86/15/23/266861523.db2.gz UJBXPEMSHXOLDM-UHFFFAOYSA-N 1 2 275.352 1.520 20 30 CDEDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000113003895 276388120 /nfs/dbraw/zinc/38/81/20/276388120.db2.gz LEDUVFMLFSAHMZ-GFCCVEGCSA-N 1 2 280.393 1.813 20 30 CDEDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000113003895 276388122 /nfs/dbraw/zinc/38/81/22/276388122.db2.gz LEDUVFMLFSAHMZ-GFCCVEGCSA-N 1 2 280.393 1.813 20 30 CDEDLO CC#CCNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296470033 276931831 /nfs/dbraw/zinc/93/18/31/276931831.db2.gz LNHLYGJDSINZCR-LLVKDONJSA-N 1 2 260.341 1.536 20 30 CDEDLO Cn1cc(C(C)(C)[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cn1 ZINC000546001427 289711632 /nfs/dbraw/zinc/71/16/32/289711632.db2.gz WOCUHKALWBQARN-CQSZACIVSA-N 1 2 297.362 1.343 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)nc1 ZINC000558641742 290410254 /nfs/dbraw/zinc/41/02/54/290410254.db2.gz CWFHSBFWXGOMEK-OAHLLOKOSA-N 1 2 293.330 1.135 20 30 CDEDLO Cc1ccc(CCNc2nc3c(cc2C#N)COCC3)[nH+]c1 ZINC000560831376 293036242 /nfs/dbraw/zinc/03/62/42/293036242.db2.gz IMWMZMMSNBZDFJ-UHFFFAOYSA-N 1 2 294.358 1.806 20 30 CDEDLO Cc1onc(CC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)c1C#N ZINC000561115354 293051476 /nfs/dbraw/zinc/05/14/76/293051476.db2.gz AZZCUPLJRKQPHI-AWEZNQCLSA-N 1 2 299.334 1.398 20 30 CDEDLO Cc1cc(N2CC[C@H](Oc3ccc(C#N)cn3)C2)nc[nH+]1 ZINC000568826236 294105569 /nfs/dbraw/zinc/10/55/69/294105569.db2.gz GWFVJIAEGLWOKC-ZDUSSCGKSA-N 1 2 281.319 1.709 20 30 CDEDLO C[C@H]1CCN(c2cc(C#N)ncn2)C[C@@H]1n1cc[nH+]c1 ZINC000570323838 294215930 /nfs/dbraw/zinc/21/59/30/294215930.db2.gz JWFATSVZNIPMBY-AAEUAGOBSA-N 1 2 268.324 1.632 20 30 CDEDLO C[C@H]1C[N@H+](CCNc2ncc(C#N)cc2F)CCO1 ZINC000570497325 294249317 /nfs/dbraw/zinc/24/93/17/294249317.db2.gz PTCGJGBDLNYYCI-JTQLQIEISA-N 1 2 264.304 1.225 20 30 CDEDLO C[C@H]1C[N@@H+](CCNc2ncc(C#N)cc2F)CCO1 ZINC000570497325 294249320 /nfs/dbraw/zinc/24/93/20/294249320.db2.gz PTCGJGBDLNYYCI-JTQLQIEISA-N 1 2 264.304 1.225 20 30 CDEDLO N#Cc1cncnc1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000574842282 295062598 /nfs/dbraw/zinc/06/25/98/295062598.db2.gz BAWDENVIUABENG-UHFFFAOYSA-N 1 2 294.293 1.707 20 30 CDEDLO CCOC(=O)N1CCC[N@H+](C[C@H](C#N)CCC#N)CC1 ZINC000171988688 329082745 /nfs/dbraw/zinc/08/27/45/329082745.db2.gz VOVJYDLLZHQIRX-ZDUSSCGKSA-N 1 2 278.356 1.594 20 30 CDEDLO CCOC(=O)N1CCC[N@@H+](C[C@H](C#N)CCC#N)CC1 ZINC000171988688 329082746 /nfs/dbraw/zinc/08/27/46/329082746.db2.gz VOVJYDLLZHQIRX-ZDUSSCGKSA-N 1 2 278.356 1.594 20 30 CDEDLO C[C@@H]1CCC[C@H](OCC(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000571407989 328119743 /nfs/dbraw/zinc/11/97/43/328119743.db2.gz JIGABDCJJRTBBP-VNHYZAJKSA-N 1 2 281.400 1.542 20 30 CDEDLO O=C1CCC(=O)N1CCC/[NH+]=C/c1cccc(O)c1O ZINC000264351466 328159064 /nfs/dbraw/zinc/15/90/64/328159064.db2.gz GZMZYUFQYRRIQU-OQLLNIDSSA-N 1 2 276.292 1.056 20 30 CDEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000571652711 328213584 /nfs/dbraw/zinc/21/35/84/328213584.db2.gz CHOZLUPXBRQLGP-JQWIXIFHSA-N 1 2 277.372 1.646 20 30 CDEDLO Cc1nc(C)c(CO[NH+]=C(N)[C@@H]2CCCO2)s1 ZINC000284612861 328246547 /nfs/dbraw/zinc/24/65/47/328246547.db2.gz ZCILEFUBMWEBHA-VIFPVBQESA-N 1 2 255.343 1.728 20 30 CDEDLO N#CCCN(CCc1cscn1)CC[NH+]1CCOCC1 ZINC000295086349 328284928 /nfs/dbraw/zinc/28/49/28/328284928.db2.gz RSKCPPDJLTYEPS-UHFFFAOYSA-N 1 2 294.424 1.233 20 30 CDEDLO CC1CC(C#N)(C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000532079545 328447860 /nfs/dbraw/zinc/44/78/60/328447860.db2.gz WJCPUYYTFZWZSE-UHFFFAOYSA-N 1 2 272.352 1.940 20 30 CDEDLO C[N@H+](Cc1ccc(CC#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000330823841 327369184 /nfs/dbraw/zinc/36/91/84/327369184.db2.gz GSWXXWIRBPINIQ-AWEZNQCLSA-N 1 2 278.377 1.372 20 30 CDEDLO C[N@@H+](Cc1ccc(CC#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000330823841 327369185 /nfs/dbraw/zinc/36/91/85/327369185.db2.gz GSWXXWIRBPINIQ-AWEZNQCLSA-N 1 2 278.377 1.372 20 30 CDEDLO Cc1ncccc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000154787459 327387309 /nfs/dbraw/zinc/38/73/09/327387309.db2.gz WVEQAUGLJWORDB-UHFFFAOYSA-N 1 2 288.395 1.438 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cccc(OC)c1 ZINC000582674425 329123696 /nfs/dbraw/zinc/12/36/96/329123696.db2.gz JUGVNBWNIIGJHR-LLVKDONJSA-N 1 2 261.325 1.916 20 30 CDEDLO CC(C)n1ncc2cc(C[NH+]3CCN(CC#N)CC3)cnc21 ZINC000174136972 329154828 /nfs/dbraw/zinc/15/48/28/329154828.db2.gz QUJVCXACPQEHIC-UHFFFAOYSA-N 1 2 298.394 1.653 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000583207189 329365450 /nfs/dbraw/zinc/36/54/50/329365450.db2.gz UYHJFRQKMMUQMX-BNOWGMLFSA-N 1 2 275.352 1.295 20 30 CDEDLO C=CCC[C@H]1NC(=O)N(Cc2ccc(N(C)C)[nH+]c2)C1=O ZINC000419925040 329749165 /nfs/dbraw/zinc/74/91/65/329749165.db2.gz NTKUEPOJWYHMJT-GFCCVEGCSA-N 1 2 288.351 1.534 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H]1CCCCO1 ZINC000078686807 329968604 /nfs/dbraw/zinc/96/86/04/329968604.db2.gz LEMQRUHSJMFRTL-OAHLLOKOSA-N 1 2 281.400 1.103 20 30 CDEDLO C=CCN(CCOC)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000572290602 329972657 /nfs/dbraw/zinc/97/26/57/329972657.db2.gz ZQOFSWUHIRWTCI-LBPRGKRZSA-N 1 2 263.341 1.107 20 30 CDEDLO CC#CC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000278008370 330118634 /nfs/dbraw/zinc/11/86/34/330118634.db2.gz DSNNVKDYIONXMB-LBPRGKRZSA-N 1 2 262.378 1.977 20 30 CDEDLO C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC(O)(CC#N)C1 ZINC000424144383 330289848 /nfs/dbraw/zinc/28/98/48/330289848.db2.gz XKEMTBWJCANLPL-TZMCWYRMSA-N 1 2 260.337 1.111 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cnc3n[nH]c(C)c3c2)nn1 ZINC000424168107 330310014 /nfs/dbraw/zinc/31/00/14/330310014.db2.gz FGRCKNMISVKSKG-UHFFFAOYSA-N 1 2 283.339 1.334 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000424169406 330312013 /nfs/dbraw/zinc/31/20/13/330312013.db2.gz IAVFFACFXOEVDH-UHFFFAOYSA-N 1 2 287.323 1.971 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccc(C(=O)NC)cc2)nn1 ZINC000424174222 330314374 /nfs/dbraw/zinc/31/43/74/330314374.db2.gz RHVQDBGBLYFVEC-UHFFFAOYSA-N 1 2 285.351 1.114 20 30 CDEDLO CC(C)OCC[NH+]1CCN(C(=O)[C@]2(C#N)C[C@@H]2C)CC1 ZINC000450014099 330958640 /nfs/dbraw/zinc/95/86/40/330958640.db2.gz AGGGPIQXLAMJKU-ZFWWWQNUSA-N 1 2 279.384 1.105 20 30 CDEDLO CC(C)[C@@H](NS(=O)(=O)CC1(C#N)CCC1)c1[nH]cc[nH+]1 ZINC000451548053 331033695 /nfs/dbraw/zinc/03/36/95/331033695.db2.gz MELWOQVXJXTEPV-LLVKDONJSA-N 1 2 296.396 1.720 20 30 CDEDLO C=CC(C)(C)CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000454991990 331158370 /nfs/dbraw/zinc/15/83/70/331158370.db2.gz MVVHSWAEPNXRSX-CYBMUJFWSA-N 1 2 281.400 1.361 20 30 CDEDLO C=CC(C)(C)CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000454991990 331158371 /nfs/dbraw/zinc/15/83/71/331158371.db2.gz MVVHSWAEPNXRSX-CYBMUJFWSA-N 1 2 281.400 1.361 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000456784653 331203789 /nfs/dbraw/zinc/20/37/89/331203789.db2.gz XPNGITIVJNTOIN-HOTGVXAUSA-N 1 2 288.391 1.704 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000456784653 331203790 /nfs/dbraw/zinc/20/37/90/331203790.db2.gz XPNGITIVJNTOIN-HOTGVXAUSA-N 1 2 288.391 1.704 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000457702248 331231693 /nfs/dbraw/zinc/23/16/93/331231693.db2.gz VNGOFUFBILGEQH-CYBMUJFWSA-N 1 2 292.383 1.274 20 30 CDEDLO C[C@H](NC(=O)N(C)CC(C)(C)C#N)[C@H](C)[NH+]1CCOCC1 ZINC000458321791 331248474 /nfs/dbraw/zinc/24/84/74/331248474.db2.gz XQYHMMUJPZGUKX-STQMWFEESA-N 1 2 296.415 1.287 20 30 CDEDLO C=CCCCCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000488533883 332015915 /nfs/dbraw/zinc/01/59/15/332015915.db2.gz IXPDOSXLZRPHEW-LBPRGKRZSA-N 1 2 262.357 1.853 20 30 CDEDLO N#CCCCC(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000488576845 332018645 /nfs/dbraw/zinc/01/86/45/332018645.db2.gz NLOQMXQNAAPCQO-ZDUSSCGKSA-N 1 2 258.325 1.248 20 30 CDEDLO C=CCCCS(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000489654640 332063223 /nfs/dbraw/zinc/06/32/23/332063223.db2.gz BMZIXGAIIZQWCW-NSHDSACASA-N 1 2 269.370 1.084 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1c(C)nc2sccn21 ZINC000490842033 332119940 /nfs/dbraw/zinc/11/99/40/332119940.db2.gz YDETVKFKHKADAP-NSHDSACASA-N 1 2 290.392 1.274 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1c(C)nc2sccn21 ZINC000490842033 332119942 /nfs/dbraw/zinc/11/99/42/332119942.db2.gz YDETVKFKHKADAP-NSHDSACASA-N 1 2 290.392 1.274 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cnc(N2CCCC2)nc1 ZINC000490898155 332126765 /nfs/dbraw/zinc/12/67/65/332126765.db2.gz HYQQYNFQGSDWGS-UHFFFAOYSA-N 1 2 268.364 1.535 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cnc(N2CCCC2)nc1 ZINC000490898155 332126767 /nfs/dbraw/zinc/12/67/67/332126767.db2.gz HYQQYNFQGSDWGS-UHFFFAOYSA-N 1 2 268.364 1.535 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1ccc2c(c1)NC(=O)CO2 ZINC000491125611 332153512 /nfs/dbraw/zinc/15/35/12/332153512.db2.gz FUSSOYMYMGKLBV-UHFFFAOYSA-N 1 2 268.316 1.476 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1ccc2c(c1)NC(=O)CO2 ZINC000491125611 332153513 /nfs/dbraw/zinc/15/35/13/332153513.db2.gz FUSSOYMYMGKLBV-UHFFFAOYSA-N 1 2 268.316 1.476 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2CC(=C)C)CC1 ZINC000491484907 332219946 /nfs/dbraw/zinc/21/99/46/332219946.db2.gz LMFCHCRDAAUKRF-UHFFFAOYSA-N 1 2 287.411 1.733 20 30 CDEDLO C[C@H](C#N)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000172121779 335095608 /nfs/dbraw/zinc/09/56/08/335095608.db2.gz ZAZWTQDOJPNPLD-LLVKDONJSA-N 1 2 254.293 1.762 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000491555868 332237524 /nfs/dbraw/zinc/23/75/24/332237524.db2.gz UMSXMKNXTFORHR-SECBINFHSA-N 1 2 276.336 1.554 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000491555868 332237525 /nfs/dbraw/zinc/23/75/25/332237525.db2.gz UMSXMKNXTFORHR-SECBINFHSA-N 1 2 276.336 1.554 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000491655173 332267428 /nfs/dbraw/zinc/26/74/28/332267428.db2.gz GVULYUCQRMNMHF-VIFPVBQESA-N 1 2 259.309 1.660 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000491655173 332267429 /nfs/dbraw/zinc/26/74/29/332267429.db2.gz GVULYUCQRMNMHF-VIFPVBQESA-N 1 2 259.309 1.660 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1Cc2ccc(OC)cc2C1=O ZINC000491659884 332270393 /nfs/dbraw/zinc/27/03/93/332270393.db2.gz LQCPCSVWERSWIF-LLVKDONJSA-N 1 2 258.321 1.562 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1Cc2ccc(OC)cc2C1=O ZINC000491659884 332270394 /nfs/dbraw/zinc/27/03/94/332270394.db2.gz LQCPCSVWERSWIF-LLVKDONJSA-N 1 2 258.321 1.562 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@H](CCCC)C1=O ZINC000491665838 332274484 /nfs/dbraw/zinc/27/44/84/332274484.db2.gz PQIRKMRFVVPTPF-GHMZBOCLSA-N 1 2 251.330 1.008 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@H](CCCC)C1=O ZINC000491665838 332274485 /nfs/dbraw/zinc/27/44/85/332274485.db2.gz PQIRKMRFVVPTPF-GHMZBOCLSA-N 1 2 251.330 1.008 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)Nc1cccc(F)c1C ZINC000491675623 332281393 /nfs/dbraw/zinc/28/13/93/332281393.db2.gz MIKBKZVJZCDDGN-CYBMUJFWSA-N 1 2 290.338 1.797 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1cccc(F)c1C ZINC000491675623 332281395 /nfs/dbraw/zinc/28/13/95/332281395.db2.gz MIKBKZVJZCDDGN-CYBMUJFWSA-N 1 2 290.338 1.797 20 30 CDEDLO C#C[C@H](NC(=O)NCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000491698039 332293029 /nfs/dbraw/zinc/29/30/29/332293029.db2.gz ACHBOZHQSBVIAK-AWEZNQCLSA-N 1 2 286.310 1.696 20 30 CDEDLO C#C[C@H](CCC)NC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000491785956 332348534 /nfs/dbraw/zinc/34/85/34/332348534.db2.gz SBMOQVKERJMFEZ-CYBMUJFWSA-N 1 2 287.363 1.863 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000493651366 332448657 /nfs/dbraw/zinc/44/86/57/332448657.db2.gz MHYDOGYMJXCPGD-QPJJXVBHSA-N 1 2 296.330 1.652 20 30 CDEDLO Cc1sccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000568752460 334838908 /nfs/dbraw/zinc/83/89/08/334838908.db2.gz DDZALKNRBWLIFL-LBPRGKRZSA-N 1 2 251.355 1.630 20 30 CDEDLO Cc1cccc(C)c1OCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000568944619 334847824 /nfs/dbraw/zinc/84/78/24/334847824.db2.gz GNMWAZLTIWHERP-MRXNPFEDSA-N 1 2 289.379 1.642 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000192231041 333233042 /nfs/dbraw/zinc/23/30/42/333233042.db2.gz JKCYBAUWJSRUNR-JTQLQIEISA-N 1 2 291.307 1.495 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000192231041 333233043 /nfs/dbraw/zinc/23/30/43/333233043.db2.gz JKCYBAUWJSRUNR-JTQLQIEISA-N 1 2 291.307 1.495 20 30 CDEDLO C=CC[N@@H+](CCN1C(=O)CCC1=O)Cc1ccccc1F ZINC000193426962 333249902 /nfs/dbraw/zinc/24/99/02/333249902.db2.gz NFPJYFPUBXNLKR-UHFFFAOYSA-N 1 2 290.338 1.963 20 30 CDEDLO C=CC[N@H+](CCN1C(=O)CCC1=O)Cc1ccccc1F ZINC000193426962 333249903 /nfs/dbraw/zinc/24/99/03/333249903.db2.gz NFPJYFPUBXNLKR-UHFFFAOYSA-N 1 2 290.338 1.963 20 30 CDEDLO CN1CC[N@H+](C)C[C@@H]1c1noc(C2(C#N)CCCCC2)n1 ZINC000545789237 334000737 /nfs/dbraw/zinc/00/07/37/334000737.db2.gz WCZNMXFGIADGPY-GFCCVEGCSA-N 1 2 289.383 1.713 20 30 CDEDLO CN1CC[N@@H+](C)C[C@@H]1c1noc(C2(C#N)CCCCC2)n1 ZINC000545789237 334000739 /nfs/dbraw/zinc/00/07/39/334000739.db2.gz WCZNMXFGIADGPY-GFCCVEGCSA-N 1 2 289.383 1.713 20 30 CDEDLO CC(C)(C#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000133223790 334028422 /nfs/dbraw/zinc/02/84/22/334028422.db2.gz RDBGPOLYFBJQMV-AWEZNQCLSA-N 1 2 287.363 1.306 20 30 CDEDLO CC(C)(C#N)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000133223790 334028423 /nfs/dbraw/zinc/02/84/23/334028423.db2.gz RDBGPOLYFBJQMV-AWEZNQCLSA-N 1 2 287.363 1.306 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCCOc1ccc(F)cc1 ZINC000566429578 334648384 /nfs/dbraw/zinc/64/83/84/334648384.db2.gz WOXSSQQNZJLBAX-CYBMUJFWSA-N 1 2 293.342 1.603 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CC(C)(C)C1CC1 ZINC000568096368 334791787 /nfs/dbraw/zinc/79/17/87/334791787.db2.gz YUZVQNNIMYWBDH-AWEZNQCLSA-N 1 2 251.374 1.773 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1cccc(Cl)c1F ZINC000577757201 335397879 /nfs/dbraw/zinc/39/78/79/335397879.db2.gz PNUYVFWODVHOAR-AWEZNQCLSA-N 1 2 297.761 1.982 20 30 CDEDLO Cc1nc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c(C)s1 ZINC000581135249 336013597 /nfs/dbraw/zinc/01/35/97/336013597.db2.gz LDBQRBBQWWAQTM-ZDUSSCGKSA-N 1 2 280.397 1.263 20 30 CDEDLO Cc1ccc(F)c(OCC(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000581947219 336174764 /nfs/dbraw/zinc/17/47/64/336174764.db2.gz REYROFPGUZQLMJ-OAHLLOKOSA-N 1 2 293.342 1.473 20 30 CDEDLO CC[C@H]1CCC[C@H]1C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001752372912 1159527386 /nfs/dbraw/zinc/52/73/86/1159527386.db2.gz KQKGESMXGKRGTI-LSDHHAIUSA-N 1 2 292.427 1.070 20 30 CDEDLO N#Cc1ccccc1N1CC[NH+](Cc2cnco2)CC1 ZINC001140927123 1159531354 /nfs/dbraw/zinc/53/13/54/1159531354.db2.gz GGYIITTWKCTVPG-UHFFFAOYSA-N 1 2 268.320 1.868 20 30 CDEDLO C[C@@H](CC(=O)NC1(CNCC#N)CCCC1)n1cc[nH+]c1 ZINC001753509176 1159843024 /nfs/dbraw/zinc/84/30/24/1159843024.db2.gz KLYBQNGBYKCCNR-ZDUSSCGKSA-N 1 2 289.383 1.376 20 30 CDEDLO C=CCOCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000665710793 482563925 /nfs/dbraw/zinc/56/39/25/482563925.db2.gz VXBQWAQRCCXCLM-CHWSQXEVSA-N 1 2 292.383 1.298 20 30 CDEDLO C=CCOCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000665710793 482563930 /nfs/dbraw/zinc/56/39/30/482563930.db2.gz VXBQWAQRCCXCLM-CHWSQXEVSA-N 1 2 292.383 1.298 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000684988466 483057455 /nfs/dbraw/zinc/05/74/55/483057455.db2.gz XETUWWWLHPNSNN-LLVKDONJSA-N 1 2 271.324 1.747 20 30 CDEDLO COc1ccccc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329970039 534164159 /nfs/dbraw/zinc/16/41/59/534164159.db2.gz XSSPUHGNLNHVPA-OCCSQVGLSA-N 1 2 291.351 1.256 20 30 CDEDLO COc1ccccc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329970039 534164166 /nfs/dbraw/zinc/16/41/66/534164166.db2.gz XSSPUHGNLNHVPA-OCCSQVGLSA-N 1 2 291.351 1.256 20 30 CDEDLO C#CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000061172857 518263128 /nfs/dbraw/zinc/26/31/28/518263128.db2.gz WVJBFULQQOVYDT-UHFFFAOYSA-N 1 2 255.321 1.767 20 30 CDEDLO C#CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000061172857 518263133 /nfs/dbraw/zinc/26/31/33/518263133.db2.gz WVJBFULQQOVYDT-UHFFFAOYSA-N 1 2 255.321 1.767 20 30 CDEDLO Cc1nc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)sc1C ZINC000329966416 534451895 /nfs/dbraw/zinc/45/18/95/534451895.db2.gz VOKUVZVRKHLCBG-MNOVXSKESA-N 1 2 296.396 1.320 20 30 CDEDLO Cc1nc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)sc1C ZINC000329966416 534451904 /nfs/dbraw/zinc/45/19/04/534451904.db2.gz VOKUVZVRKHLCBG-MNOVXSKESA-N 1 2 296.396 1.320 20 30 CDEDLO CCC[C@@H]([NH2+]C(C)C)C(=O)N=c1[nH][nH]c(C)c1C#N ZINC000357246161 520759514 /nfs/dbraw/zinc/75/95/14/520759514.db2.gz RQGDPNWHUSDAMS-LLVKDONJSA-N 1 2 263.345 1.117 20 30 CDEDLO Cc1nc2n(n1)CCN(C(=O)Nc1c(C)cc[nH+]c1C)C2 ZINC000329240587 534697418 /nfs/dbraw/zinc/69/74/18/534697418.db2.gz MVQCTXOBNNKSMX-UHFFFAOYSA-N 1 2 286.339 1.660 20 30 CDEDLO CNC(=O)[C@@H]1C[N@@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000184050722 524088718 /nfs/dbraw/zinc/08/87/18/524088718.db2.gz GUXNANZUEMLXKG-RISCZKNCSA-N 1 2 273.336 1.066 20 30 CDEDLO CNC(=O)[C@@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000184050722 524088721 /nfs/dbraw/zinc/08/87/21/524088721.db2.gz GUXNANZUEMLXKG-RISCZKNCSA-N 1 2 273.336 1.066 20 30 CDEDLO Cc1cc(C(=O)N2CC[NH+](CCCC#N)CC2)c(C)o1 ZINC000052242005 526253705 /nfs/dbraw/zinc/25/37/05/526253705.db2.gz OYNQFBJBNHUALJ-UHFFFAOYSA-N 1 2 275.352 1.958 20 30 CDEDLO C=CC[N@H+](CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 ZINC000109133542 526328754 /nfs/dbraw/zinc/32/87/54/526328754.db2.gz CCFIJRRLXZDQBR-CQSZACIVSA-N 1 2 280.393 1.299 20 30 CDEDLO C=CC[N@@H+](CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 ZINC000109133542 526328757 /nfs/dbraw/zinc/32/87/57/526328757.db2.gz CCFIJRRLXZDQBR-CQSZACIVSA-N 1 2 280.393 1.299 20 30 CDEDLO C=C(C)C[N@H+](CC(=O)NCC1CC1)Cc1ccc(CO)o1 ZINC000352791516 526509902 /nfs/dbraw/zinc/50/99/02/526509902.db2.gz IOCRFSOGZZLBPD-UHFFFAOYSA-N 1 2 292.379 1.676 20 30 CDEDLO C=C(C)C[N@@H+](CC(=O)NCC1CC1)Cc1ccc(CO)o1 ZINC000352791516 526509907 /nfs/dbraw/zinc/50/99/07/526509907.db2.gz IOCRFSOGZZLBPD-UHFFFAOYSA-N 1 2 292.379 1.676 20 30 CDEDLO CC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000329090251 526548504 /nfs/dbraw/zinc/54/85/04/526548504.db2.gz IZGZDWBELJWLNW-QWHCGFSZSA-N 1 2 290.367 1.555 20 30 CDEDLO C=CCOc1ccccc1C[NH+]1CC(n2ccnn2)C1 ZINC000355012776 526930900 /nfs/dbraw/zinc/93/09/00/526930900.db2.gz HXBRJXRBQYOFNX-UHFFFAOYSA-N 1 2 270.336 1.900 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000350627796 527931006 /nfs/dbraw/zinc/93/10/06/527931006.db2.gz GEOCDPRFYDRYOA-NFAWXSAZSA-N 1 2 279.384 1.294 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000350627796 527931009 /nfs/dbraw/zinc/93/10/09/527931009.db2.gz GEOCDPRFYDRYOA-NFAWXSAZSA-N 1 2 279.384 1.294 20 30 CDEDLO CCC[C@]1([NH+]=C([O-])N[C@@H]2CCc3[nH]c[nH+]c3C2)CCOC1 ZINC000329603948 528527058 /nfs/dbraw/zinc/52/70/58/528527058.db2.gz GPSJPSGXXCLCGK-ABAIWWIYSA-N 1 2 292.383 1.730 20 30 CDEDLO CCC[C@]1([NH+]=C([O-])N[C@@H]2CCc3[nH+]c[nH]c3C2)CCOC1 ZINC000329603948 528527062 /nfs/dbraw/zinc/52/70/62/528527062.db2.gz GPSJPSGXXCLCGK-ABAIWWIYSA-N 1 2 292.383 1.730 20 30 CDEDLO CCN(C(C)=O)c1nc(C[NH2+]CCCC#N)cs1 ZINC000344339587 529108440 /nfs/dbraw/zinc/10/84/40/529108440.db2.gz YKBQPNIQIZOXAY-UHFFFAOYSA-N 1 2 266.370 1.909 20 30 CDEDLO O=C(Cc1cn2ccccc2[nH+]1)N[C@H]1CCCNC1=O ZINC000328712151 538347463 /nfs/dbraw/zinc/34/74/63/538347463.db2.gz CFQGTOZYGVRWLJ-NSHDSACASA-N 1 2 272.308 1.952 20 30 CDEDLO C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)N1CCCCC1=O ZINC000329339023 538561298 /nfs/dbraw/zinc/56/12/98/538561298.db2.gz NKRUTKZPNAFCMZ-NSHDSACASA-N 1 2 278.356 1.700 20 30 CDEDLO C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)N1CCCCC1=O ZINC000329339023 538561301 /nfs/dbraw/zinc/56/13/01/538561301.db2.gz NKRUTKZPNAFCMZ-NSHDSACASA-N 1 2 278.356 1.700 20 30 CDEDLO C#Cc1ccc(C(=O)Nc2ccc[nH+]c2N(C)C)cn1 ZINC000728811767 574649585 /nfs/dbraw/zinc/64/95/85/574649585.db2.gz JILZOHOVQNQUFG-UHFFFAOYSA-N 1 2 266.304 1.776 20 30 CDEDLO C#Cc1ccc(C(=O)NCCCCn2cc[nH+]c2)nc1 ZINC000728963066 574678468 /nfs/dbraw/zinc/67/84/68/574678468.db2.gz ZKXJLECEZOQNNC-UHFFFAOYSA-N 1 2 268.320 1.470 20 30 CDEDLO CCCCCCCC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000731873760 575068135 /nfs/dbraw/zinc/06/81/35/575068135.db2.gz ZZUDPKDECXXCSR-AWEZNQCLSA-N 1 2 269.433 1.709 20 30 CDEDLO CCCCCCCC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000731873760 575068138 /nfs/dbraw/zinc/06/81/38/575068138.db2.gz ZZUDPKDECXXCSR-AWEZNQCLSA-N 1 2 269.433 1.709 20 30 CDEDLO CCC(CC)CN[NH+]=Cc1c(N)ncnc1OC ZINC000774462877 575206664 /nfs/dbraw/zinc/20/66/64/575206664.db2.gz PMXNXAFZAOPAHX-UHFFFAOYSA-N 1 2 251.334 1.427 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CCC3(C2)CCOCC3)c1=S ZINC000743405138 576638671 /nfs/dbraw/zinc/63/86/71/576638671.db2.gz FSVDTIBBNKJGAE-UHFFFAOYSA-N 1 2 295.412 1.455 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CCC3(C2)CCOCC3)c1=S ZINC000743405138 576638673 /nfs/dbraw/zinc/63/86/73/576638673.db2.gz FSVDTIBBNKJGAE-UHFFFAOYSA-N 1 2 295.412 1.455 20 30 CDEDLO CC[N@@H+]1CCCC[C@H]1C(=O)[C@@H](C#N)c1ccncn1 ZINC000774414748 575203682 /nfs/dbraw/zinc/20/36/82/575203682.db2.gz JQDMWPICGNOLID-AAEUAGOBSA-N 1 2 258.325 1.527 20 30 CDEDLO CC[N@H+]1CCCC[C@H]1C(=O)[C@@H](C#N)c1ccncn1 ZINC000774414748 575203683 /nfs/dbraw/zinc/20/36/83/575203683.db2.gz JQDMWPICGNOLID-AAEUAGOBSA-N 1 2 258.325 1.527 20 30 CDEDLO Cc1nc(C#N)c(N=NCc2cccc3[nH+]ccn32)o1 ZINC000771098939 575548569 /nfs/dbraw/zinc/54/85/69/575548569.db2.gz UQJWYNQOXVHTBR-UHFFFAOYSA-N 1 2 266.264 1.948 20 30 CDEDLO CON=CC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000773852696 575841379 /nfs/dbraw/zinc/84/13/79/575841379.db2.gz HMNXHEQOFYZHDG-UHFFFAOYSA-N 1 2 262.244 1.582 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cn1 ZINC000759474007 576393069 /nfs/dbraw/zinc/39/30/69/576393069.db2.gz PYZBSOHUEKLEGD-XJKSGUPXSA-N 1 2 294.358 1.983 20 30 CDEDLO N#CCC[N@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759907031 576442860 /nfs/dbraw/zinc/44/28/60/576442860.db2.gz SBPDTKUBOPKGJP-GFCCVEGCSA-N 1 2 270.336 1.433 20 30 CDEDLO N#CCC[N@@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759907031 576442861 /nfs/dbraw/zinc/44/28/61/576442861.db2.gz SBPDTKUBOPKGJP-GFCCVEGCSA-N 1 2 270.336 1.433 20 30 CDEDLO COCC#CCOC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000762830789 576679085 /nfs/dbraw/zinc/67/90/85/576679085.db2.gz FGCVKANYVDVVDP-CQSZACIVSA-N 1 2 287.359 1.626 20 30 CDEDLO COCC#CCOC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000762830789 576679086 /nfs/dbraw/zinc/67/90/86/576679086.db2.gz FGCVKANYVDVVDP-CQSZACIVSA-N 1 2 287.359 1.626 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)C[C@@H](C)n2nc(C)cc2C)CC1 ZINC000744419200 576679448 /nfs/dbraw/zinc/67/94/48/576679448.db2.gz QRAUATWNWBXIIU-OAHLLOKOSA-N 1 2 288.395 1.228 20 30 CDEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(C(=O)C3CC3)CC2)cc1 ZINC000763235150 576724270 /nfs/dbraw/zinc/72/42/70/576724270.db2.gz UXDWCRWJIVCZBX-INIZCTEOSA-N 1 2 299.374 1.146 20 30 CDEDLO CO[C@@H](C)C(N)=[NH+]O[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000747868110 576887921 /nfs/dbraw/zinc/88/79/21/576887921.db2.gz RGHMQCDMDPMBLX-VHSXEESVSA-N 1 2 290.323 1.419 20 30 CDEDLO COc1cc(C#N)ccc1OCCO[NH+]=C(N)[C@@H](C)OC ZINC000754296579 576891045 /nfs/dbraw/zinc/89/10/45/576891045.db2.gz VKZDUFNDXJWDHT-SNVBAGLBSA-N 1 2 293.323 1.479 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C)c1O ZINC000748857305 576929552 /nfs/dbraw/zinc/92/95/52/576929552.db2.gz KGYWKPJLGGDQBN-ZDUSSCGKSA-N 1 2 258.321 1.737 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C)c1O ZINC000748857305 576929554 /nfs/dbraw/zinc/92/95/54/576929554.db2.gz KGYWKPJLGGDQBN-ZDUSSCGKSA-N 1 2 258.321 1.737 20 30 CDEDLO C[S@](=O)CC[NH+]1CCN(CCCC(C)(C)C#N)CC1 ZINC000755951022 576970808 /nfs/dbraw/zinc/97/08/08/576970808.db2.gz ZMCKUGRPOBVZOU-IBGZPJMESA-N 1 2 285.457 1.312 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C(C)C)cc2)CC1 ZINC000749988933 576971329 /nfs/dbraw/zinc/97/13/29/576971329.db2.gz AHXVIKHFSBZBFH-UHFFFAOYSA-N 1 2 299.418 1.999 20 30 CDEDLO C=CCCOCCNC(=O)c1cccc2[nH+]ccn21 ZINC000757233084 577036972 /nfs/dbraw/zinc/03/69/72/577036972.db2.gz XUSCQORMFONDPP-UHFFFAOYSA-N 1 2 259.309 1.657 20 30 CDEDLO C#CCNC(=S)NCc1[nH+]cc(C)c(OC)c1C ZINC000758215977 577083553 /nfs/dbraw/zinc/08/35/53/577083553.db2.gz LOPXTNZBWMVNCW-UHFFFAOYSA-N 1 2 263.366 1.304 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@H](NC(C)=O)C(C)(C)C1 ZINC000972701291 613235403 /nfs/dbraw/zinc/23/54/03/613235403.db2.gz BSPMGROXFALUJQ-JTQLQIEISA-N 1 2 275.190 1.742 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@H](NC(C)=O)C(C)(C)C1 ZINC000972701291 613235405 /nfs/dbraw/zinc/23/54/05/613235405.db2.gz BSPMGROXFALUJQ-JTQLQIEISA-N 1 2 275.190 1.742 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000820220863 607086831 /nfs/dbraw/zinc/08/68/31/607086831.db2.gz YMQIGDAMHMGCBL-SECBINFHSA-N 1 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/nfs/dbraw/zinc/09/69/46/613096946.db2.gz BWKOAVUTUPMCLW-LBPRGKRZSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CC[N@H+](C)[C@H]1CCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000980299218 613096947 /nfs/dbraw/zinc/09/69/47/613096947.db2.gz BWKOAVUTUPMCLW-LBPRGKRZSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C(C)(C)C=C)CC2)C1 ZINC000949433370 613209597 /nfs/dbraw/zinc/20/95/97/613209597.db2.gz QQCTUYOGYNSNGC-UHFFFAOYSA-N 1 2 290.407 1.525 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C(C)(C)C=C)CC2)C1 ZINC000949433370 613209599 /nfs/dbraw/zinc/20/95/99/613209599.db2.gz QQCTUYOGYNSNGC-UHFFFAOYSA-N 1 2 290.407 1.525 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)=C3CCC3)C2)C1 ZINC000972377034 613210867 /nfs/dbraw/zinc/21/08/67/613210867.db2.gz BQYIRNZOIDILPM-KRWDZBQOSA-N 1 2 288.391 1.423 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)=C3CCC3)C2)C1 ZINC000972377034 613210869 /nfs/dbraw/zinc/21/08/69/613210869.db2.gz BQYIRNZOIDILPM-KRWDZBQOSA-N 1 2 288.391 1.423 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(CC)CC)C2)C1 ZINC000972683722 613211813 /nfs/dbraw/zinc/21/18/13/613211813.db2.gz OQWZKQMHIYTANA-QGZVFWFLSA-N 1 2 292.423 1.749 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(CC)CC)C2)C1 ZINC000972683722 613211815 /nfs/dbraw/zinc/21/18/15/613211815.db2.gz OQWZKQMHIYTANA-QGZVFWFLSA-N 1 2 292.423 1.749 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2scnc2C)C1 ZINC000965184573 613217679 /nfs/dbraw/zinc/21/76/79/613217679.db2.gz VJQCGSNRWXFXLJ-PWSUYJOCSA-N 1 2 277.393 1.525 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2scnc2C)C1 ZINC000965184573 613217680 /nfs/dbraw/zinc/21/76/80/613217680.db2.gz VJQCGSNRWXFXLJ-PWSUYJOCSA-N 1 2 277.393 1.525 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC1 ZINC000958010141 613235949 /nfs/dbraw/zinc/23/59/49/613235949.db2.gz ZFELORGBYZHLGZ-URLYPYJESA-N 1 2 285.185 1.351 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC1 ZINC000958010141 613235951 /nfs/dbraw/zinc/23/59/51/613235951.db2.gz ZFELORGBYZHLGZ-URLYPYJESA-N 1 2 285.185 1.351 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc3ncccn3n2)C1 ZINC000956975596 613296388 /nfs/dbraw/zinc/29/63/88/613296388.db2.gz BZQAQJKGOVPXSP-UHFFFAOYSA-N 1 2 299.378 1.452 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2cnc(CC)s2)C(C)(C)C1 ZINC000977665472 613301217 /nfs/dbraw/zinc/30/12/17/613301217.db2.gz XCKGUYBFTXKVOK-LBPRGKRZSA-N 1 2 291.420 1.779 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2cnc(CC)s2)C(C)(C)C1 ZINC000977665472 613301219 /nfs/dbraw/zinc/30/12/19/613301219.db2.gz XCKGUYBFTXKVOK-LBPRGKRZSA-N 1 2 291.420 1.779 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2c(C3CC3)cnn2C)CC1 ZINC000948706664 613319846 /nfs/dbraw/zinc/31/98/46/613319846.db2.gz CVCGPLGBKXCWMN-UHFFFAOYSA-N 1 2 288.395 1.631 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cccc(C(N)=O)c2)CC1 ZINC000948915348 613320758 /nfs/dbraw/zinc/32/07/58/613320758.db2.gz PKHVUPWAQJLAAC-UHFFFAOYSA-N 1 2 287.363 1.119 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC23CC3)C1 ZINC000970487314 613371530 /nfs/dbraw/zinc/37/15/30/613371530.db2.gz AZOHOGUWVXLJPT-ZYHUDNBSSA-N 1 2 268.788 1.976 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC000965344201 613377939 /nfs/dbraw/zinc/37/79/39/613377939.db2.gz GEJDLHDSTAWDDH-CABZTGNLSA-N 1 2 282.775 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC000965344201 613377940 /nfs/dbraw/zinc/37/79/40/613377940.db2.gz GEJDLHDSTAWDDH-CABZTGNLSA-N 1 2 282.775 1.602 20 30 CDEDLO N#CCCCC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000812617510 617331758 /nfs/dbraw/zinc/33/17/58/617331758.db2.gz QBKMBUXYZCWBSP-TXEJJXNPSA-N 1 2 252.314 1.087 20 30 CDEDLO N#CCCCC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000812617510 617331760 /nfs/dbraw/zinc/33/17/60/617331760.db2.gz QBKMBUXYZCWBSP-TXEJJXNPSA-N 1 2 252.314 1.087 20 30 CDEDLO C=CCC[N@H+]1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000981208572 613493622 /nfs/dbraw/zinc/49/36/22/613493622.db2.gz AZFAXHXBVGZJAA-SNVBAGLBSA-N 1 2 282.281 1.997 20 30 CDEDLO C=CCC[N@@H+]1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000981208572 613493628 /nfs/dbraw/zinc/49/36/28/613493628.db2.gz AZFAXHXBVGZJAA-SNVBAGLBSA-N 1 2 282.281 1.997 20 30 CDEDLO O=C(NCC#C[C@H]1CCCCO1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000891124017 617367816 /nfs/dbraw/zinc/36/78/16/617367816.db2.gz HCTGAJOGLHZIGI-UKRRQHHQSA-N 1 2 287.363 1.134 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCc2ccncc2)CC1 ZINC000949035007 613561683 /nfs/dbraw/zinc/56/16/83/613561683.db2.gz CBBFOWMFTGTLED-UHFFFAOYSA-N 1 2 271.364 1.182 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2CCO[C@@H](CC)C2)CC1 ZINC000957107205 613562628 /nfs/dbraw/zinc/56/26/28/613562628.db2.gz OGDAYXJNWQKNRP-CVEARBPZSA-N 1 2 292.423 1.749 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[C@H]2OC)C1 ZINC000957445552 613653443 /nfs/dbraw/zinc/65/34/43/613653443.db2.gz OWOGUZKQUTZGHD-HUUCEWRRSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCO[C@H]2C(C)C)C1 ZINC000950487090 613654416 /nfs/dbraw/zinc/65/44/16/613654416.db2.gz RTJPXSCVOOWINX-CABCVRRESA-N 1 2 280.412 1.766 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCOC[C@H]2C)C1 ZINC000951700739 613654452 /nfs/dbraw/zinc/65/44/52/613654452.db2.gz KBCUXLRLYJSIMO-TZMCWYRMSA-N 1 2 266.385 1.378 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cc(CC)c[nH]c2=O)C1 ZINC000957073362 613657008 /nfs/dbraw/zinc/65/70/08/613657008.db2.gz QFOSVAZEVVEWHM-UHFFFAOYSA-N 1 2 289.379 1.682 20 30 CDEDLO C=CC[NH+]1CC([C@@H](C)NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC000970042687 613667725 /nfs/dbraw/zinc/66/77/25/613667725.db2.gz VDVXKDCCEBMAOZ-LLVKDONJSA-N 1 2 288.395 1.525 20 30 CDEDLO C=CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3c[nH]nc32)CC1 ZINC000981164775 613691967 /nfs/dbraw/zinc/69/19/67/613691967.db2.gz GHYNSLHZQFYZRD-CQSZACIVSA-N 1 2 288.395 1.550 20 30 CDEDLO C=CC[N@H+]1CCCN(C(=O)[C@@H]2CCCc3c[nH]nc32)CC1 ZINC000981164775 613691968 /nfs/dbraw/zinc/69/19/68/613691968.db2.gz GHYNSLHZQFYZRD-CQSZACIVSA-N 1 2 288.395 1.550 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2ccc(C)o2)CC1 ZINC000957767734 613707821 /nfs/dbraw/zinc/70/78/21/613707821.db2.gz HFIZSNNLBAUAHP-UHFFFAOYSA-N 1 2 262.353 1.851 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2c(C)nn(C)c2Cl)CC1 ZINC000949108276 613709236 /nfs/dbraw/zinc/70/92/36/613709236.db2.gz DTZYGGHJNANNMH-UHFFFAOYSA-N 1 2 296.802 1.255 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC000950635106 613711817 /nfs/dbraw/zinc/71/18/17/613711817.db2.gz KJHTXABLYSEOER-CHWSQXEVSA-N 1 2 260.337 1.713 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cn(C)nc2C(F)F)CC1 ZINC000948795343 613717776 /nfs/dbraw/zinc/71/77/76/613717776.db2.gz POHGFIWTXNOWRP-UHFFFAOYSA-N 1 2 284.310 1.302 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc(C)nc2C(C)C)CC1 ZINC000951187101 613718278 /nfs/dbraw/zinc/71/82/78/613718278.db2.gz FEYULHWUCPCPHI-UHFFFAOYSA-N 1 2 288.395 1.852 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnn(C)c2CCC)CC1 ZINC000949079384 613718663 /nfs/dbraw/zinc/71/86/63/613718663.db2.gz KXPHHJDZYIDORV-UHFFFAOYSA-N 1 2 276.384 1.316 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)C=C)C2)C1 ZINC000972505246 613722993 /nfs/dbraw/zinc/72/29/93/613722993.db2.gz UZAOLJNQLYGNBL-INIZCTEOSA-N 1 2 278.396 1.688 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)C=C)C2)C1 ZINC000972505246 613722994 /nfs/dbraw/zinc/72/29/94/613722994.db2.gz UZAOLJNQLYGNBL-INIZCTEOSA-N 1 2 278.396 1.688 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC34CCC4)C2)C1 ZINC000972576140 613726509 /nfs/dbraw/zinc/72/65/09/613726509.db2.gz AIOSOLZMYZOERV-WMLDXEAASA-N 1 2 290.407 1.666 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC34CCC4)C2)C1 ZINC000972576140 613726513 /nfs/dbraw/zinc/72/65/13/613726513.db2.gz AIOSOLZMYZOERV-WMLDXEAASA-N 1 2 290.407 1.666 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C3CCC3)C2)C1 ZINC000972431357 613726847 /nfs/dbraw/zinc/72/68/47/613726847.db2.gz PSLDXRMTUHNXKD-RHSMWYFYSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C3CCC3)C2)C1 ZINC000972431357 613726849 /nfs/dbraw/zinc/72/68/49/613726849.db2.gz PSLDXRMTUHNXKD-RHSMWYFYSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3conc3C)C2)C1 ZINC000972529062 613727042 /nfs/dbraw/zinc/72/70/42/613727042.db2.gz XILZAATZKUOQOW-OAHLLOKOSA-N 1 2 291.351 1.086 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3conc3C)C2)C1 ZINC000972529062 613727043 /nfs/dbraw/zinc/72/70/43/613727043.db2.gz XILZAATZKUOQOW-OAHLLOKOSA-N 1 2 291.351 1.086 20 30 CDEDLO C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC000968630850 613735389 /nfs/dbraw/zinc/73/53/89/613735389.db2.gz CIBMJPIZKARKKA-IAQYHMDHSA-N 1 2 299.378 1.584 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC000968630850 613735391 /nfs/dbraw/zinc/73/53/91/613735391.db2.gz CIBMJPIZKARKKA-IAQYHMDHSA-N 1 2 299.378 1.584 20 30 CDEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cn[nH]n1 ZINC000948935306 613805622 /nfs/dbraw/zinc/80/56/22/613805622.db2.gz FEEGUSHVBKPINE-OAHLLOKOSA-N 1 2 297.362 1.320 20 30 CDEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cn[nH]n1 ZINC000948935306 613805623 /nfs/dbraw/zinc/80/56/23/613805623.db2.gz FEEGUSHVBKPINE-OAHLLOKOSA-N 1 2 297.362 1.320 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891715467 617552586 /nfs/dbraw/zinc/55/25/86/617552586.db2.gz DLCCMVRNXJEJIB-UTUOFQBUSA-N 1 2 256.321 1.712 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891715467 617552589 /nfs/dbraw/zinc/55/25/89/617552589.db2.gz DLCCMVRNXJEJIB-UTUOFQBUSA-N 1 2 256.321 1.712 20 30 CDEDLO CNC(=S)N(C)[NH+]=C1CCCc2ccc(N)cc21 ZINC000841645913 617560881 /nfs/dbraw/zinc/56/08/81/617560881.db2.gz AXUUXQSLGPMILH-UHFFFAOYSA-N 1 2 262.382 1.745 20 30 CDEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@@H](SC)C1)C(=O)OC ZINC000894859914 619105282 /nfs/dbraw/zinc/10/52/82/619105282.db2.gz YPEQHPWVEYWLKJ-UTUOFQBUSA-N 1 2 255.383 1.815 20 30 CDEDLO N#CCC(=O)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000895066449 619253903 /nfs/dbraw/zinc/25/39/03/619253903.db2.gz SGBJLIYXRHXYJX-UHFFFAOYSA-N 1 2 293.754 1.603 20 30 CDEDLO Cc1cc(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)ccc1C#N ZINC000895118940 619313880 /nfs/dbraw/zinc/31/38/80/619313880.db2.gz RUUUSNBMQWRJMV-YNEHKIRRSA-N 1 2 271.364 1.964 20 30 CDEDLO Cc1cc(C[N@@H+]2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)ccc1C#N ZINC000895118940 619313883 /nfs/dbraw/zinc/31/38/83/619313883.db2.gz RUUUSNBMQWRJMV-YNEHKIRRSA-N 1 2 271.364 1.964 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2nccn2-c2ccccc2)CCCN1O ZINC000895160156 619377529 /nfs/dbraw/zinc/37/75/29/619377529.db2.gz KPZHDKUCKBUFKQ-ZDUSSCGKSA-N 1 2 286.335 1.342 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2ccc(F)cc2F)CCCN1O ZINC000895165375 619393124 /nfs/dbraw/zinc/39/31/24/619393124.db2.gz JYUZUKFKXOPOAB-NSHDSACASA-N 1 2 256.252 1.435 20 30 CDEDLO C#Cc1ccc(C(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000895414796 619648686 /nfs/dbraw/zinc/64/86/86/619648686.db2.gz OTJGQQJVOHUHPV-UHFFFAOYSA-N 1 2 286.375 1.509 20 30 CDEDLO N#Cc1cnc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000896484807 620107309 /nfs/dbraw/zinc/10/73/09/620107309.db2.gz NBWLEBFUJJCYLP-MRVPVSSYSA-N 1 2 273.321 1.412 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)Nc1ncc(C#N)s1 ZINC000896486645 620108244 /nfs/dbraw/zinc/10/82/44/620108244.db2.gz UBJXBFJWGYAGDY-UHFFFAOYSA-N 1 2 261.310 1.320 20 30 CDEDLO Cc1[nH]c(CNC(=O)c2cc(C#N)oc2C)[nH+]c1C ZINC000896910944 620301349 /nfs/dbraw/zinc/30/13/49/620301349.db2.gz VBTIFIUTHAXLJG-UHFFFAOYSA-N 1 2 258.281 1.730 20 30 CDEDLO C=CCCOCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000897228535 620430631 /nfs/dbraw/zinc/43/06/31/620430631.db2.gz PZNOOTLCDSKAQX-AWEZNQCLSA-N 1 2 292.383 1.499 20 30 CDEDLO C=CCCOCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897228535 620430633 /nfs/dbraw/zinc/43/06/33/620430633.db2.gz PZNOOTLCDSKAQX-AWEZNQCLSA-N 1 2 292.383 1.499 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897902053 621207012 /nfs/dbraw/zinc/20/70/12/621207012.db2.gz IQJUMFHPXDGCSR-HONMWMINSA-N 1 2 290.367 1.250 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897902053 621207014 /nfs/dbraw/zinc/20/70/14/621207014.db2.gz IQJUMFHPXDGCSR-HONMWMINSA-N 1 2 290.367 1.250 20 30 CDEDLO C=C1CCC(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000898664321 621835603 /nfs/dbraw/zinc/83/56/03/621835603.db2.gz CZTQFEBMHLCDQC-UONOGXRCSA-N 1 2 280.412 1.958 20 30 CDEDLO C=C1CCC(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000898664321 621835606 /nfs/dbraw/zinc/83/56/06/621835606.db2.gz CZTQFEBMHLCDQC-UONOGXRCSA-N 1 2 280.412 1.958 20 30 CDEDLO C=C1C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000899900962 622517482 /nfs/dbraw/zinc/51/74/82/622517482.db2.gz ZMQASDNKOWUGLP-UHFFFAOYSA-N 1 2 261.281 1.795 20 30 CDEDLO Cn1cncc1/C=C1\COC/C(=C\c2c[nH+]cn2C)C1=O ZINC000901478759 624268368 /nfs/dbraw/zinc/26/83/68/624268368.db2.gz AWOVYXFOYKYRNS-HMMKTVFPSA-N 1 2 284.319 1.220 20 30 CDEDLO C[C@@H](C#N)OCCO[NH+]=C(N)Cc1ccccc1F ZINC000902622178 625042838 /nfs/dbraw/zinc/04/28/38/625042838.db2.gz AWJGMXZAVOTICY-JTQLQIEISA-N 1 2 265.288 1.795 20 30 CDEDLO C#CCNC(=O)[C@@H](C)O[NH+]=C(N)Cc1ccccc1F ZINC000902622525 625043418 /nfs/dbraw/zinc/04/34/18/625043418.db2.gz GEOWSPMHKXXLOQ-SNVBAGLBSA-N 1 2 277.299 1.005 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)c2cccc(C)c2)nn1 ZINC000905828873 627002257 /nfs/dbraw/zinc/00/22/57/627002257.db2.gz UUPKHBRSYLGVQG-INIZCTEOSA-N 1 2 284.363 1.433 20 30 CDEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@]2(C#N)CC2(C)C)[nH]n1 ZINC000908298316 628129860 /nfs/dbraw/zinc/12/98/60/628129860.db2.gz FMFZYUOVLGLPPU-DOMZBBRYSA-N 1 2 287.367 1.598 20 30 CDEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@]2(C#N)CC2(C)C)[nH]n1 ZINC000908298316 628129862 /nfs/dbraw/zinc/12/98/62/628129862.db2.gz FMFZYUOVLGLPPU-DOMZBBRYSA-N 1 2 287.367 1.598 20 30 CDEDLO C=CCNc1ncc(C(=O)N2CC[N@@H+](C)C[C@@H]2CC)s1 ZINC000908444683 628205321 /nfs/dbraw/zinc/20/53/21/628205321.db2.gz WKXXTCIGYHQRNR-NSHDSACASA-N 1 2 294.424 1.907 20 30 CDEDLO C=CCNc1ncc(C(=O)N2CC[N@H+](C)C[C@@H]2CC)s1 ZINC000908444683 628205323 /nfs/dbraw/zinc/20/53/23/628205323.db2.gz WKXXTCIGYHQRNR-NSHDSACASA-N 1 2 294.424 1.907 20 30 CDEDLO C#C[C@](C)(CC)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000908529198 628246471 /nfs/dbraw/zinc/24/64/71/628246471.db2.gz KHIFLDGYBZOKOP-UKRRQHHQSA-N 1 2 274.368 1.708 20 30 CDEDLO C#C[C@](C)(CC)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000908529198 628246474 /nfs/dbraw/zinc/24/64/74/628246474.db2.gz KHIFLDGYBZOKOP-UKRRQHHQSA-N 1 2 274.368 1.708 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC#C[Si](C)(C)C ZINC000912330362 629911505 /nfs/dbraw/zinc/91/15/05/629911505.db2.gz MOXDVMXADPDRGW-LBPRGKRZSA-N 1 2 277.444 1.975 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC#C[Si](C)(C)C ZINC000912330362 629911506 /nfs/dbraw/zinc/91/15/06/629911506.db2.gz MOXDVMXADPDRGW-LBPRGKRZSA-N 1 2 277.444 1.975 20 30 CDEDLO CCOC(=O)[C@@H](C#N)Nc1cc2[nH+]c[nH]c2cc1F ZINC001170370590 1162344934 /nfs/dbraw/zinc/34/49/34/1162344934.db2.gz GRRBFJBTNPVQPX-LLVKDONJSA-N 1 2 262.244 1.569 20 30 CDEDLO Cc1nc([C@@H](C)[NH2+]CCCNC(=O)C#CC(C)(C)C)no1 ZINC001157727710 1162349247 /nfs/dbraw/zinc/34/92/47/1162349247.db2.gz VHLBATQLAAZTSK-LLVKDONJSA-N 1 2 292.383 1.584 20 30 CDEDLO C=CCNC(=O)c1ccc(NCc2cc[nH+]c(N)c2)nc1 ZINC001167617549 1159161764 /nfs/dbraw/zinc/16/17/64/1159161764.db2.gz UAGZHSHYSWRSJZ-UHFFFAOYSA-N 1 2 283.335 1.587 20 30 CDEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)C(C)(C)F)CC[C@H]1C ZINC001131742344 1163024143 /nfs/dbraw/zinc/02/41/43/1163024143.db2.gz CJAFYAPJHOWLAJ-VXGBXAGGSA-N 1 2 299.390 1.006 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C(C)(C)F)CC[C@H]1C ZINC001131742344 1163024148 /nfs/dbraw/zinc/02/41/48/1163024148.db2.gz CJAFYAPJHOWLAJ-VXGBXAGGSA-N 1 2 299.390 1.006 20 30 CDEDLO C#CCC[NH+]1CC(O)(CNC(=O)C2(C)CCCCC2)C1 ZINC001754773259 1159453899 /nfs/dbraw/zinc/45/38/99/1159453899.db2.gz INUHDUNJHWRQSR-UHFFFAOYSA-N 1 2 278.396 1.143 20 30 CDEDLO N#Cc1cccc(N[C@@H]2CCC[N@@H+](C3COC3)C2)n1 ZINC001168369989 1160827727 /nfs/dbraw/zinc/82/77/27/1160827727.db2.gz RVLIUWROSSOANA-GFCCVEGCSA-N 1 2 258.325 1.228 20 30 CDEDLO N#Cc1cccc(N[C@@H]2CCC[N@H+](C3COC3)C2)n1 ZINC001168369989 1160827736 /nfs/dbraw/zinc/82/77/36/1160827736.db2.gz RVLIUWROSSOANA-GFCCVEGCSA-N 1 2 258.325 1.228 20 30 CDEDLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)Nc1ccc(C#N)nc1 ZINC001113083345 1162095357 /nfs/dbraw/zinc/09/53/57/1162095357.db2.gz YTGJWYIWYUPPJR-VXGBXAGGSA-N 1 2 298.350 1.155 20 30 CDEDLO C#CCCCCCC(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001132407744 1163273105 /nfs/dbraw/zinc/27/31/05/1163273105.db2.gz NAGKBEUTAKZUKH-GFCCVEGCSA-N 1 2 292.383 1.729 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001132658118 1163419742 /nfs/dbraw/zinc/41/97/42/1163419742.db2.gz ZFVGLMVVRNHKDH-NSHDSACASA-N 1 2 280.372 1.440 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+][C@@H](C)c1nnc(CC)o1 ZINC001133145049 1163587248 /nfs/dbraw/zinc/58/72/48/1163587248.db2.gz NJEGSTOJEUYERQ-NSHDSACASA-N 1 2 280.372 1.755 20 30 CDEDLO C=CCCC1(C(=O)NCC[NH2+][C@@H](C)c2nnc(C)o2)CC1 ZINC001133374362 1163660829 /nfs/dbraw/zinc/66/08/29/1163660829.db2.gz UPTGWJBWIIRYKV-NSHDSACASA-N 1 2 292.383 1.891 20 30 CDEDLO Cc1cc(NCC2(C#N)CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001609409544 1164934105 /nfs/dbraw/zinc/93/41/05/1164934105.db2.gz NKEXAWMIRWBDEG-UHFFFAOYSA-N 1 2 269.312 1.098 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNc2ncc(Cl)cc2C#N)C1 ZINC001155198023 1167106606 /nfs/dbraw/zinc/10/66/06/1167106606.db2.gz VBJDKIODZJOTFS-NSHDSACASA-N 1 2 266.732 1.349 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNc2ncc(Cl)cc2C#N)C1 ZINC001155198023 1167106608 /nfs/dbraw/zinc/10/66/08/1167106608.db2.gz VBJDKIODZJOTFS-NSHDSACASA-N 1 2 266.732 1.349 20 30 CDEDLO COc1cccc([C@H]2CN(C(=O)C3(C#N)CCC3)CC[NH2+]2)c1 ZINC001650204804 1169853395 /nfs/dbraw/zinc/85/33/95/1169853395.db2.gz AAHFLTRUJJFETQ-OAHLLOKOSA-N 1 2 299.374 1.862 20 30 CDEDLO CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1(C#N)CCC1 ZINC001597909007 1174297529 /nfs/dbraw/zinc/29/75/29/1174297529.db2.gz URWRDAAVHCRTGQ-NSHDSACASA-N 1 2 258.325 1.350 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cncnc1 ZINC001717470093 1180689454 /nfs/dbraw/zinc/68/94/54/1180689454.db2.gz COSZDNUWTALIFI-JTQLQIEISA-N 1 2 268.748 1.279 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cncnc1 ZINC001717470093 1180689458 /nfs/dbraw/zinc/68/94/58/1180689458.db2.gz COSZDNUWTALIFI-JTQLQIEISA-N 1 2 268.748 1.279 20 30 CDEDLO C=CCC(C)(C)C(=O)NC1C[NH+](CCOC(C)C)C1 ZINC001753388398 1184526104 /nfs/dbraw/zinc/52/61/04/1184526104.db2.gz CLNZSFIBWVKAQW-UHFFFAOYSA-N 1 2 268.401 1.814 20 30 CDEDLO C[C@H](C#N)C(=O)NCC1C[NH+](Cc2cccc(Cl)n2)C1 ZINC001753398815 1184530098 /nfs/dbraw/zinc/53/00/98/1184530098.db2.gz RKQQSTUWVRSTOZ-SNVBAGLBSA-N 1 2 292.770 1.443 20 30 CDEDLO Cc1noc([C@H](C)[NH2+][C@H](C)CNC(=O)C#CC(C)C)n1 ZINC001752870454 1184944222 /nfs/dbraw/zinc/94/42/22/1184944222.db2.gz WLCGHUOWDRRCOQ-MNOVXSKESA-N 1 2 278.356 1.193 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](C)SC ZINC001753078693 1185045443 /nfs/dbraw/zinc/04/54/43/1185045443.db2.gz LKYFODISJDAFDF-JTQLQIEISA-N 1 2 264.822 1.929 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](C)SC ZINC001753078693 1185045446 /nfs/dbraw/zinc/04/54/46/1185045446.db2.gz LKYFODISJDAFDF-JTQLQIEISA-N 1 2 264.822 1.929 20 30 CDEDLO CC(C)CCC(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001753343801 1185162426 /nfs/dbraw/zinc/16/24/26/1185162426.db2.gz HTXZYHPEIUUIDP-UHFFFAOYSA-N 1 2 280.416 1.022 20 30 CDEDLO C[C@H]1CCCC[C@@]1(CNCC#N)NC(=O)Cn1cc[nH+]c1 ZINC001753538379 1185250093 /nfs/dbraw/zinc/25/00/93/1185250093.db2.gz ZIJAFHWZNCYZCG-ZFWWWQNUSA-N 1 2 289.383 1.061 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2(C)CCCC2)C1 ZINC001753650816 1185287977 /nfs/dbraw/zinc/28/79/77/1185287977.db2.gz AKNHPLBJDLAGDQ-AWEZNQCLSA-N 1 2 280.412 1.960 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C2(C)CCCC2)C1 ZINC001753650816 1185287979 /nfs/dbraw/zinc/28/79/79/1185287979.db2.gz AKNHPLBJDLAGDQ-AWEZNQCLSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CCCC(=O)NC[C@H]1C[N@H+](CCOC(C)C)CCO1 ZINC001753659637 1185291770 /nfs/dbraw/zinc/29/17/70/1185291770.db2.gz YOFMDFDUANCIMF-AWEZNQCLSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CCCC(=O)NC[C@H]1C[N@@H+](CCOC(C)C)CCO1 ZINC001753659637 1185291777 /nfs/dbraw/zinc/29/17/77/1185291777.db2.gz YOFMDFDUANCIMF-AWEZNQCLSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CCOCC(=O)NC[C@H](C)[N@H+](C)[C@H](C)c1ncc(C)o1 ZINC001755293913 1185896772 /nfs/dbraw/zinc/89/67/72/1185896772.db2.gz BIVCQIOGKSYNRD-WCQYABFASA-N 1 2 295.383 1.683 20 30 CDEDLO C=CCOCC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)c1ncc(C)o1 ZINC001755293913 1185896775 /nfs/dbraw/zinc/89/67/75/1185896775.db2.gz BIVCQIOGKSYNRD-WCQYABFASA-N 1 2 295.383 1.683 20 30 CDEDLO C=CCCCC(=O)NC[C@@H](C)[N@H+](C)Cc1cnnn1C ZINC001755313013 1185910291 /nfs/dbraw/zinc/91/02/91/1185910291.db2.gz HZPATEFBFRXLCT-GFCCVEGCSA-N 1 2 279.388 1.108 20 30 CDEDLO C=CCCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1cnnn1C ZINC001755313013 1185910292 /nfs/dbraw/zinc/91/02/92/1185910292.db2.gz HZPATEFBFRXLCT-GFCCVEGCSA-N 1 2 279.388 1.108 20 30 CDEDLO C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CC(C)(C)C)C1 ZINC001755369822 1185930599 /nfs/dbraw/zinc/93/05/99/1185930599.db2.gz DWUZAMIREQZTLN-GFCCVEGCSA-N 1 2 295.427 1.161 20 30 CDEDLO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001075820235 705304694 /nfs/dbraw/zinc/30/46/94/705304694.db2.gz SXGOFGYYNSWVSU-HBNTYKKESA-N 1 2 292.276 1.443 20 30 CDEDLO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001075820235 705304700 /nfs/dbraw/zinc/30/47/00/705304700.db2.gz SXGOFGYYNSWVSU-HBNTYKKESA-N 1 2 292.276 1.443 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1noc2ccccc21 ZINC001032506550 705330541 /nfs/dbraw/zinc/33/05/41/705330541.db2.gz KAUJMDRPXJFJCF-STQMWFEESA-N 1 2 295.342 1.289 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1noc2ccccc21 ZINC001032506550 705330543 /nfs/dbraw/zinc/33/05/43/705330543.db2.gz KAUJMDRPXJFJCF-STQMWFEESA-N 1 2 295.342 1.289 20 30 CDEDLO CC(C)C#CC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000823601816 705370902 /nfs/dbraw/zinc/37/09/02/705370902.db2.gz OXIWJSKHVKWVHN-UHFFFAOYSA-N 1 2 256.349 1.778 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1nccn1CC ZINC001027846472 705385203 /nfs/dbraw/zinc/38/52/03/705385203.db2.gz MZSJARDPARVDHT-GFCCVEGCSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1nccn1CC ZINC001027846472 705385207 /nfs/dbraw/zinc/38/52/07/705385207.db2.gz MZSJARDPARVDHT-GFCCVEGCSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ncccc2F)C1 ZINC001015614164 705472243 /nfs/dbraw/zinc/47/22/43/705472243.db2.gz UBJKRRDHDSAZAR-LLVKDONJSA-N 1 2 297.761 1.706 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ncccc2F)C1 ZINC001015614164 705472245 /nfs/dbraw/zinc/47/22/45/705472245.db2.gz UBJKRRDHDSAZAR-LLVKDONJSA-N 1 2 297.761 1.706 20 30 CDEDLO Cc1noc([C@H](C)[N@H+](C)C[C@H](O)CC2(C#N)CCC2)n1 ZINC000886270635 705472858 /nfs/dbraw/zinc/47/28/58/705472858.db2.gz IYWTXAWNXATZQK-CMPLNLGQSA-N 1 2 278.356 1.816 20 30 CDEDLO Cc1noc([C@H](C)[N@@H+](C)C[C@H](O)CC2(C#N)CCC2)n1 ZINC000886270635 705472860 /nfs/dbraw/zinc/47/28/60/705472860.db2.gz IYWTXAWNXATZQK-CMPLNLGQSA-N 1 2 278.356 1.816 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)co2)C1 ZINC001035482638 705481322 /nfs/dbraw/zinc/48/13/22/705481322.db2.gz ZHCXXOSEXUWMQG-ZDUSSCGKSA-N 1 2 276.336 1.042 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)co2)C1 ZINC001035482638 705481323 /nfs/dbraw/zinc/48/13/23/705481323.db2.gz ZHCXXOSEXUWMQG-ZDUSSCGKSA-N 1 2 276.336 1.042 20 30 CDEDLO O=[N+]([O-])c1ccc(N=NCc2c[nH+]c3n2CCC3)nc1 ZINC000853290885 705490862 /nfs/dbraw/zinc/49/08/62/705490862.db2.gz NIWVGOAOWJCSNH-UHFFFAOYSA-N 1 2 272.268 1.579 20 30 CDEDLO C=C1CCC(C(=O)NC[C@H]2COCC[N@H+]2CCCF)CC1 ZINC001051100124 705515780 /nfs/dbraw/zinc/51/57/80/705515780.db2.gz PISFIUUIAVUJPQ-HNNXBMFYSA-N 1 2 298.402 1.909 20 30 CDEDLO C=C1CCC(C(=O)NC[C@H]2COCC[N@@H+]2CCCF)CC1 ZINC001051100124 705515787 /nfs/dbraw/zinc/51/57/87/705515787.db2.gz PISFIUUIAVUJPQ-HNNXBMFYSA-N 1 2 298.402 1.909 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@H](CC)C1 ZINC001018154128 705569222 /nfs/dbraw/zinc/56/92/22/705569222.db2.gz CMWNXDIBGHIUOY-CAOSSQGBSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@H](CC)C1 ZINC001018154128 705569226 /nfs/dbraw/zinc/56/92/26/705569226.db2.gz CMWNXDIBGHIUOY-CAOSSQGBSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C3CC3)no2)C1 ZINC001043992473 705573534 /nfs/dbraw/zinc/57/35/34/705573534.db2.gz UAQKVAVHEFDODY-UHFFFAOYSA-N 1 2 273.336 1.332 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)ncn1C ZINC001017638724 705635117 /nfs/dbraw/zinc/63/51/17/705635117.db2.gz GKASVWSSOBJIQU-OKILXGFUSA-N 1 2 286.379 1.041 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)ncn1C ZINC001017638724 705635122 /nfs/dbraw/zinc/63/51/22/705635122.db2.gz GKASVWSSOBJIQU-OKILXGFUSA-N 1 2 286.379 1.041 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCOC2(C[NH+](CC[C@@H](C)F)C2)C1 ZINC001053372496 705643022 /nfs/dbraw/zinc/64/30/22/705643022.db2.gz HWTUHBQDULRYQM-CYBMUJFWSA-N 1 2 298.402 1.860 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)C2CC(OCC)C2)C1 ZINC000949989200 705652184 /nfs/dbraw/zinc/65/21/84/705652184.db2.gz RWZZZACATYXFIQ-UHFFFAOYSA-N 1 2 280.412 1.910 20 30 CDEDLO N#Cc1ccc(C2=CC[N@H+](CN3CCC3=O)CC2)cc1 ZINC000857233269 705674246 /nfs/dbraw/zinc/67/42/46/705674246.db2.gz CDPXFOJOVKGJGS-UHFFFAOYSA-N 1 2 267.332 1.837 20 30 CDEDLO N#Cc1ccc(C2=CC[N@@H+](CN3CCC3=O)CC2)cc1 ZINC000857233269 705674250 /nfs/dbraw/zinc/67/42/50/705674250.db2.gz CDPXFOJOVKGJGS-UHFFFAOYSA-N 1 2 267.332 1.837 20 30 CDEDLO CC(C)(CCC#N)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868360501 705698459 /nfs/dbraw/zinc/69/84/59/705698459.db2.gz XDFBDDJRRNVTSZ-HWKANZROSA-N 1 2 279.384 1.321 20 30 CDEDLO C#CCOCCOC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000798842946 705700120 /nfs/dbraw/zinc/70/01/20/705700120.db2.gz XRFDNPDMGFICOH-AWEZNQCLSA-N 1 2 261.321 1.482 20 30 CDEDLO C[N@@H+](Cc1ncc[nH]1)C[C@H](O)c1ccc(C#N)cc1 ZINC000844359586 705723192 /nfs/dbraw/zinc/72/31/92/705723192.db2.gz CFUBSIWXMRPCBI-ZDUSSCGKSA-N 1 2 256.309 1.447 20 30 CDEDLO C[N@H+](Cc1ncc[nH]1)C[C@H](O)c1ccc(C#N)cc1 ZINC000844359586 705723194 /nfs/dbraw/zinc/72/31/94/705723194.db2.gz CFUBSIWXMRPCBI-ZDUSSCGKSA-N 1 2 256.309 1.447 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccoc1Cl ZINC001050889416 705723295 /nfs/dbraw/zinc/72/32/95/705723295.db2.gz PWLLCAUDNKVLFR-NSHDSACASA-N 1 2 298.770 1.940 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccoc1Cl ZINC001050889416 705723305 /nfs/dbraw/zinc/72/33/05/705723305.db2.gz PWLLCAUDNKVLFR-NSHDSACASA-N 1 2 298.770 1.940 20 30 CDEDLO C=C1CC(C)(C(=O)N2CCOC3(C[NH+](C(C)C)C3)C2)C1 ZINC001053417948 705732784 /nfs/dbraw/zinc/73/27/84/705732784.db2.gz IDRJWPIKSHPKIY-UHFFFAOYSA-N 1 2 278.396 1.664 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccc(OC)c(F)c2)C1 ZINC001043250146 705739460 /nfs/dbraw/zinc/73/94/60/705739460.db2.gz PMGYVAHJPHNZIQ-UHFFFAOYSA-N 1 2 292.354 1.705 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccn(C)c2CC)C1 ZINC001043869657 705749647 /nfs/dbraw/zinc/74/96/47/705749647.db2.gz BGNQZGAMSXATEI-UHFFFAOYSA-N 1 2 275.396 1.920 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2c[nH]nc2C)C1 ZINC001046526266 705754387 /nfs/dbraw/zinc/75/43/87/705754387.db2.gz QSTKEPKNFJIBGA-CYBMUJFWSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2c[nH]nc2C)C1 ZINC001046526266 705754394 /nfs/dbraw/zinc/75/43/94/705754394.db2.gz QSTKEPKNFJIBGA-CYBMUJFWSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn3c2CCCC3)C1 ZINC001031206125 705778249 /nfs/dbraw/zinc/77/82/49/705778249.db2.gz DYFVSILOCGGVKR-UHFFFAOYSA-N 1 2 274.368 1.210 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCOCC2)C1 ZINC001042665218 705780114 /nfs/dbraw/zinc/78/01/14/705780114.db2.gz NPPHBOAOLJAUQJ-ZDUSSCGKSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CCC[C@H](O)C[NH2+][C@H](C[C@H]1CCCO1)C(=O)OC ZINC000886951122 705783959 /nfs/dbraw/zinc/78/39/59/705783959.db2.gz XEOKEQKWPXEYCS-YNEHKIRRSA-N 1 2 271.357 1.014 20 30 CDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC001004354358 705785124 /nfs/dbraw/zinc/78/51/24/705785124.db2.gz BTYRBZNMHPJAER-HUUCEWRRSA-N 1 2 291.395 1.249 20 30 CDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC001004354358 705785127 /nfs/dbraw/zinc/78/51/27/705785127.db2.gz BTYRBZNMHPJAER-HUUCEWRRSA-N 1 2 291.395 1.249 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](CC)SC)CCO2 ZINC001053224936 705799131 /nfs/dbraw/zinc/79/91/31/705799131.db2.gz CREXVYYHAAFSFT-ZDUSSCGKSA-N 1 2 298.452 1.617 20 30 CDEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)C[C@H](C)[N@H+]1C ZINC000135263577 705804972 /nfs/dbraw/zinc/80/49/72/705804972.db2.gz RYMDWOZVVVHDAO-TXEJJXNPSA-N 1 2 293.392 1.271 20 30 CDEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)C[C@H](C)[N@@H+]1C ZINC000135263577 705804975 /nfs/dbraw/zinc/80/49/75/705804975.db2.gz RYMDWOZVVVHDAO-TXEJJXNPSA-N 1 2 293.392 1.271 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccn(CC)n2)C1 ZINC001014514055 705812153 /nfs/dbraw/zinc/81/21/53/705812153.db2.gz VRMYDKHFOAJOSX-ZDUSSCGKSA-N 1 2 296.802 1.389 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccn(CC)n2)C1 ZINC001014514055 705812155 /nfs/dbraw/zinc/81/21/55/705812155.db2.gz VRMYDKHFOAJOSX-ZDUSSCGKSA-N 1 2 296.802 1.389 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1COC ZINC001017704173 705860956 /nfs/dbraw/zinc/86/09/56/705860956.db2.gz CAHTUPYFWUEWSP-IYBDPMFKSA-N 1 2 298.386 1.755 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1COC ZINC001017704173 705860960 /nfs/dbraw/zinc/86/09/60/705860960.db2.gz CAHTUPYFWUEWSP-IYBDPMFKSA-N 1 2 298.386 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001015337624 705871819 /nfs/dbraw/zinc/87/18/19/705871819.db2.gz QQRHJWJSLGKQIN-MJBXVCDLSA-N 1 2 298.814 1.745 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001015337624 705871824 /nfs/dbraw/zinc/87/18/24/705871824.db2.gz QQRHJWJSLGKQIN-MJBXVCDLSA-N 1 2 298.814 1.745 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(C)nc1C(C)C ZINC001038781791 705882902 /nfs/dbraw/zinc/88/29/02/705882902.db2.gz QBWDXPQRMXLHNK-ZDUSSCGKSA-N 1 2 286.379 1.346 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(C)nc1C(C)C ZINC001038781791 705882905 /nfs/dbraw/zinc/88/29/05/705882905.db2.gz QBWDXPQRMXLHNK-ZDUSSCGKSA-N 1 2 286.379 1.346 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC001038348006 705905449 /nfs/dbraw/zinc/90/54/49/705905449.db2.gz ZKCMESSWEFOWPG-ZDUSSCGKSA-N 1 2 295.342 1.378 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC001038348006 705905450 /nfs/dbraw/zinc/90/54/50/705905450.db2.gz ZKCMESSWEFOWPG-ZDUSSCGKSA-N 1 2 295.342 1.378 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C(CC)CC)CCO2 ZINC001053161414 705916766 /nfs/dbraw/zinc/91/67/66/705916766.db2.gz TUCIEVXGWHEWIO-UHFFFAOYSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cncc(F)c1 ZINC001050864342 705963535 /nfs/dbraw/zinc/96/35/35/705963535.db2.gz AXUZFLAVGRMBSS-CQSZACIVSA-N 1 2 293.342 1.227 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cncc(F)c1 ZINC001050864342 705963547 /nfs/dbraw/zinc/96/35/47/705963547.db2.gz AXUZFLAVGRMBSS-CQSZACIVSA-N 1 2 293.342 1.227 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2ccc(F)cn2)C1 ZINC001043119397 705998923 /nfs/dbraw/zinc/99/89/23/705998923.db2.gz CYBVHURGUPSNPM-UHFFFAOYSA-N 1 2 277.343 1.482 20 30 CDEDLO C=C(C)CC[NH+]1CC(NC(=O)c2cncs2)C1 ZINC001030136139 706020441 /nfs/dbraw/zinc/02/04/41/706020441.db2.gz YTTTWNJNHCFOJS-UHFFFAOYSA-N 1 2 251.355 1.523 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1nccs1)CO2 ZINC001053965376 706027820 /nfs/dbraw/zinc/02/78/20/706027820.db2.gz CJGACNLTVZQSDD-LLVKDONJSA-N 1 2 293.392 1.292 20 30 CDEDLO C=C(C)C[N@H+](CC[S@@](C)=O)Cc1ccc(CO)o1 ZINC000829714368 706032739 /nfs/dbraw/zinc/03/27/39/706032739.db2.gz XDWGXWQYVXBDFY-GOSISDBHSA-N 1 2 271.382 1.529 20 30 CDEDLO C=C(C)C[N@@H+](CC[S@@](C)=O)Cc1ccc(CO)o1 ZINC000829714368 706032741 /nfs/dbraw/zinc/03/27/41/706032741.db2.gz XDWGXWQYVXBDFY-GOSISDBHSA-N 1 2 271.382 1.529 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800211190 706042356 /nfs/dbraw/zinc/04/23/56/706042356.db2.gz SOXBGVXDMQHMFR-HIFRSBDPSA-N 1 2 285.384 1.479 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800211190 706042363 /nfs/dbraw/zinc/04/23/63/706042363.db2.gz SOXBGVXDMQHMFR-HIFRSBDPSA-N 1 2 285.384 1.479 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(C2CCC2)n1 ZINC001038895349 706080421 /nfs/dbraw/zinc/08/04/21/706080421.db2.gz KMHZSVARJMKONZ-LBPRGKRZSA-N 1 2 275.352 1.932 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1coc(C2CCC2)n1 ZINC001038895349 706080425 /nfs/dbraw/zinc/08/04/25/706080425.db2.gz KMHZSVARJMKONZ-LBPRGKRZSA-N 1 2 275.352 1.932 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2cccc(COC)c2)C1 ZINC001031243614 706093884 /nfs/dbraw/zinc/09/38/84/706093884.db2.gz WERFILYWULMGGV-UHFFFAOYSA-N 1 2 274.364 1.362 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnsn1 ZINC001017382648 706157295 /nfs/dbraw/zinc/15/72/95/706157295.db2.gz DMOZRMXOZFXZFQ-AOOOYVTPSA-N 1 2 264.354 1.013 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnsn1 ZINC001017382648 706157296 /nfs/dbraw/zinc/15/72/96/706157296.db2.gz DMOZRMXOZFXZFQ-AOOOYVTPSA-N 1 2 264.354 1.013 20 30 CDEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2CC(=O)N(C)C)CC1 ZINC001038660982 706168307 /nfs/dbraw/zinc/16/83/07/706168307.db2.gz JGCUDCQQIMJYPF-CQSZACIVSA-N 1 2 293.411 1.012 20 30 CDEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2CC(=O)N(C)C)CC1 ZINC001038660982 706168309 /nfs/dbraw/zinc/16/83/09/706168309.db2.gz JGCUDCQQIMJYPF-CQSZACIVSA-N 1 2 293.411 1.012 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)OC1CCCC1 ZINC001032658178 706176877 /nfs/dbraw/zinc/17/68/77/706176877.db2.gz CSLVNVMSGZYPPD-DZKIICNBSA-N 1 2 290.407 1.643 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)OC1CCCC1 ZINC001032658178 706176884 /nfs/dbraw/zinc/17/68/84/706176884.db2.gz CSLVNVMSGZYPPD-DZKIICNBSA-N 1 2 290.407 1.643 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001031469263 706196784 /nfs/dbraw/zinc/19/67/84/706196784.db2.gz OQDNMEIRCXSBRO-UHFFFAOYSA-N 1 2 262.397 1.882 20 30 CDEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ccon1 ZINC001010334002 706240139 /nfs/dbraw/zinc/24/01/39/706240139.db2.gz JLHPOOBMWVWEGE-HNNXBMFYSA-N 1 2 295.342 1.530 20 30 CDEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ccon1 ZINC001010334002 706240140 /nfs/dbraw/zinc/24/01/40/706240140.db2.gz JLHPOOBMWVWEGE-HNNXBMFYSA-N 1 2 295.342 1.530 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncn2ccc(C)cc12 ZINC001038435531 709540930 /nfs/dbraw/zinc/54/09/30/709540930.db2.gz ABJVYFSGDJYEBP-CQSZACIVSA-N 1 2 296.374 1.470 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncn2ccc(C)cc12 ZINC001038435531 709540940 /nfs/dbraw/zinc/54/09/40/709540940.db2.gz ABJVYFSGDJYEBP-CQSZACIVSA-N 1 2 296.374 1.470 20 30 CDEDLO C#CCC[N@H+]1CC[C@H](N(C)C(=O)c2ccc3[nH]nnc3c2)C1 ZINC001033649623 709546477 /nfs/dbraw/zinc/54/64/77/709546477.db2.gz DIUVFOWATDJPBF-ZDUSSCGKSA-N 1 2 297.362 1.128 20 30 CDEDLO C#CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3[nH]nnc3c2)C1 ZINC001033649623 709546488 /nfs/dbraw/zinc/54/64/88/709546488.db2.gz DIUVFOWATDJPBF-ZDUSSCGKSA-N 1 2 297.362 1.128 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1nncc2ccccc21 ZINC001038503685 709642710 /nfs/dbraw/zinc/64/27/10/709642710.db2.gz HUXGOZDKNGFBND-AWEZNQCLSA-N 1 2 294.358 1.457 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1nncc2ccccc21 ZINC001038503685 709642723 /nfs/dbraw/zinc/64/27/23/709642723.db2.gz HUXGOZDKNGFBND-AWEZNQCLSA-N 1 2 294.358 1.457 20 30 CDEDLO Cn1ncc(C=[NH+]Nc2ccnc(Br)c2)c1N ZINC000814904523 709706498 /nfs/dbraw/zinc/70/64/98/709706498.db2.gz MVIPQSNUXJSMJL-UHFFFAOYSA-N 1 2 295.144 1.606 20 30 CDEDLO C[Si](C)(C)C#CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000912329265 709762349 /nfs/dbraw/zinc/76/23/49/709762349.db2.gz FLVUPQFISFAHBJ-CYBMUJFWSA-N 1 2 289.455 1.833 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccn(C)c2)C1 ZINC001046240105 709807012 /nfs/dbraw/zinc/80/70/12/709807012.db2.gz WQUOXSXDXPQIMQ-CQSZACIVSA-N 1 2 281.787 1.972 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccn(C)c2)C1 ZINC001046240105 709807013 /nfs/dbraw/zinc/80/70/13/709807013.db2.gz WQUOXSXDXPQIMQ-CQSZACIVSA-N 1 2 281.787 1.972 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc(-n3cncn3)c2)C1 ZINC001030929280 709808679 /nfs/dbraw/zinc/80/86/79/709808679.db2.gz ODAORLCTRKJVNU-UHFFFAOYSA-N 1 2 297.362 1.257 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2nocc2C)CC1 ZINC001003915336 709819880 /nfs/dbraw/zinc/81/98/80/709819880.db2.gz XMRLZSUEARYSTR-UHFFFAOYSA-N 1 2 283.759 1.930 20 30 CDEDLO COCCOc1cccc(C=NNc2[nH+]ccn2C)c1 ZINC000790299804 709823850 /nfs/dbraw/zinc/82/38/50/709823850.db2.gz JRXXWWKQROEASL-UHFFFAOYSA-N 1 2 274.324 1.891 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2n1[C@H](C)CCC2 ZINC001032413743 709826214 /nfs/dbraw/zinc/82/62/14/709826214.db2.gz ZQWHANRBCGFYJE-RDBSUJKOSA-N 1 2 298.390 1.312 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2n1[C@H](C)CCC2 ZINC001032413743 709826217 /nfs/dbraw/zinc/82/62/17/709826217.db2.gz ZQWHANRBCGFYJE-RDBSUJKOSA-N 1 2 298.390 1.312 20 30 CDEDLO CC(C)CN(CCC#N)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000847398498 709853483 /nfs/dbraw/zinc/85/34/83/709853483.db2.gz BZOVACMVJMOFMI-GFCCVEGCSA-N 1 2 262.357 1.987 20 30 CDEDLO CC(C)CN(CCC#N)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000847398498 709853485 /nfs/dbraw/zinc/85/34/85/709853485.db2.gz BZOVACMVJMOFMI-GFCCVEGCSA-N 1 2 262.357 1.987 20 30 CDEDLO CN(C)c1ncc(C=[NH+]Nc2ccncc2Cl)cn1 ZINC000814870382 709862825 /nfs/dbraw/zinc/86/28/25/709862825.db2.gz ZYHNOCVNQAPKPZ-UHFFFAOYSA-N 1 2 276.731 1.459 20 30 CDEDLO C#CC[N@@H+](CC[C@@H]1C[C@H]1C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000886062002 709878004 /nfs/dbraw/zinc/87/80/04/709878004.db2.gz DETUCTPJEJMIRP-KFWWJZLASA-N 1 2 281.421 1.545 20 30 CDEDLO C#CC[N@H+](CC[C@@H]1C[C@H]1C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000886062002 709878006 /nfs/dbraw/zinc/87/80/06/709878006.db2.gz DETUCTPJEJMIRP-KFWWJZLASA-N 1 2 281.421 1.545 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3ccc(F)cc3c2)C1 ZINC001031201041 709878832 /nfs/dbraw/zinc/87/88/32/709878832.db2.gz HMKBNKTVGHJJTO-UHFFFAOYSA-N 1 2 297.333 1.811 20 30 CDEDLO CC(C)C[C@H](C(=O)N1CCO[C@](C)(C#N)C1)n1cc[nH+]c1 ZINC000887690310 709890598 /nfs/dbraw/zinc/89/05/98/709890598.db2.gz JXMJYMBOPUKEAI-UKRRQHHQSA-N 1 2 290.367 1.611 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CC(C)(C)O)C[C@@H]21 ZINC001074229011 709892287 /nfs/dbraw/zinc/89/22/87/709892287.db2.gz IJHOQURDGYUBFM-KBPBESRZSA-N 1 2 296.411 1.025 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CC(C)(C)O)C[C@@H]21 ZINC001074229011 709892288 /nfs/dbraw/zinc/89/22/88/709892288.db2.gz IJHOQURDGYUBFM-KBPBESRZSA-N 1 2 296.411 1.025 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2cc(C)nc3c2cnn3C)C1 ZINC001044098142 709893087 /nfs/dbraw/zinc/89/30/87/709893087.db2.gz RRUOVJULAOKYBF-UHFFFAOYSA-N 1 2 299.378 1.219 20 30 CDEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](CCF)C2)cc1 ZINC001015809862 709901503 /nfs/dbraw/zinc/90/15/03/709901503.db2.gz VZCPJGUULIIAKW-AWEZNQCLSA-N 1 2 290.338 1.472 20 30 CDEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](CCF)C2)cc1 ZINC001015809862 709901513 /nfs/dbraw/zinc/90/15/13/709901513.db2.gz VZCPJGUULIIAKW-AWEZNQCLSA-N 1 2 290.338 1.472 20 30 CDEDLO CCOc1cccc(/C=[NH+]\CCCNC(C)=O)c1O ZINC000255216361 709911869 /nfs/dbraw/zinc/91/18/69/709911869.db2.gz SRPALUXJMHUMJA-GDNBJRDFSA-N 1 2 264.325 1.736 20 30 CDEDLO C[C@@H]1C[C@@H]([NH2+]Cc2cnsn2)CN1C(=O)C#CC1CC1 ZINC000988809781 709996410 /nfs/dbraw/zinc/99/64/10/709996410.db2.gz FBQQZNUDBLNABD-ZYHUDNBSSA-N 1 2 290.392 1.031 20 30 CDEDLO C[C@@H](C#N)OCC[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000852343119 710001939 /nfs/dbraw/zinc/00/19/39/710001939.db2.gz QKIKVHVOAFDDLY-LBPRGKRZSA-N 1 2 290.392 1.670 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(F)(F)CC1 ZINC000796541799 710093533 /nfs/dbraw/zinc/09/35/33/710093533.db2.gz NYEIJVQDMDSBNQ-LLVKDONJSA-N 1 2 273.327 1.726 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1ccc(Cl)nn1)[C@H]1CCCO1 ZINC000877418359 710152480 /nfs/dbraw/zinc/15/24/80/710152480.db2.gz XVBXFHMOCXUOPC-GHMZBOCLSA-N 1 2 251.717 1.400 20 30 CDEDLO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)C(F)F)C2)ccc1F ZINC001009806393 710158622 /nfs/dbraw/zinc/15/86/22/710158622.db2.gz BIKSNZFSKXQWDG-NSHDSACASA-N 1 2 297.280 1.653 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C(F)F)C2)ccc1F ZINC001009806393 710158628 /nfs/dbraw/zinc/15/86/28/710158628.db2.gz BIKSNZFSKXQWDG-NSHDSACASA-N 1 2 297.280 1.653 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(O)c(F)c2)C1 ZINC000923564996 710172090 /nfs/dbraw/zinc/17/20/90/710172090.db2.gz BJJRQHXXEICLTL-LBPRGKRZSA-N 1 2 276.311 1.359 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(O)c(F)c2)C1 ZINC000923564996 710172099 /nfs/dbraw/zinc/17/20/99/710172099.db2.gz BJJRQHXXEICLTL-LBPRGKRZSA-N 1 2 276.311 1.359 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 ZINC001043434734 710193731 /nfs/dbraw/zinc/19/37/31/710193731.db2.gz SNEYBMHKSCCKFJ-ZIAGYGMSSA-N 1 2 288.395 1.242 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(-c2ccccc2)c1 ZINC001038476865 710213414 /nfs/dbraw/zinc/21/34/14/710213414.db2.gz RSJWVPNBQMFQEI-INIZCTEOSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(-c2ccccc2)c1 ZINC001038476865 710213417 /nfs/dbraw/zinc/21/34/17/710213417.db2.gz RSJWVPNBQMFQEI-INIZCTEOSA-N 1 2 294.358 1.310 20 30 CDEDLO CC(C)[C@H]1N(C[NH+]2CCC(C#N)CC2)C(=O)[C@]12CCCO2 ZINC000839979798 710218729 /nfs/dbraw/zinc/21/87/29/710218729.db2.gz OMLJXQMNBIROHM-ZBFHGGJFSA-N 1 2 291.395 1.595 20 30 CDEDLO C=CCOCC[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000815015373 710234908 /nfs/dbraw/zinc/23/49/08/710234908.db2.gz GSCXAIZTGFPKOY-UHFFFAOYSA-N 1 2 273.336 1.970 20 30 CDEDLO C=CCOCC[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000815015373 710234910 /nfs/dbraw/zinc/23/49/10/710234910.db2.gz GSCXAIZTGFPKOY-UHFFFAOYSA-N 1 2 273.336 1.970 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2oc(C)nc2c1 ZINC001038386819 710244875 /nfs/dbraw/zinc/24/48/75/710244875.db2.gz QWKALBQZRJDCBR-AWEZNQCLSA-N 1 2 297.358 1.964 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2oc(C)nc2c1 ZINC001038386819 710244879 /nfs/dbraw/zinc/24/48/79/710244879.db2.gz QWKALBQZRJDCBR-AWEZNQCLSA-N 1 2 297.358 1.964 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@]2(C)CC2(Cl)Cl)nn1 ZINC000881429789 710245170 /nfs/dbraw/zinc/24/51/70/710245170.db2.gz VNIJGAKGHRFRGK-NSHDSACASA-N 1 2 287.194 1.975 20 30 CDEDLO C#CCOc1ccccc1NC(=O)CCn1cc[nH+]c1 ZINC000775938821 710245634 /nfs/dbraw/zinc/24/56/34/710245634.db2.gz GUQVMTJYZCCUFN-UHFFFAOYSA-N 1 2 269.304 1.924 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H](C)c2c(C)n[nH]c2C)C1 ZINC001044061503 710261851 /nfs/dbraw/zinc/26/18/51/710261851.db2.gz UZZOELFVPVUWKH-SNVBAGLBSA-N 1 2 276.384 1.459 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H](CC)O1 ZINC001017597876 710306553 /nfs/dbraw/zinc/30/65/53/710306553.db2.gz YOFSGBLYHXHOMZ-QXSJWSMHSA-N 1 2 290.407 1.643 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H](CC)O1 ZINC001017597876 710306556 /nfs/dbraw/zinc/30/65/56/710306556.db2.gz YOFSGBLYHXHOMZ-QXSJWSMHSA-N 1 2 290.407 1.643 20 30 CDEDLO C#CCCCCCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000780476773 710327619 /nfs/dbraw/zinc/32/76/19/710327619.db2.gz NRCMDJSZRBUMQK-AWEZNQCLSA-N 1 2 266.385 1.407 20 30 CDEDLO C#CCCCCCC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000780476773 710327623 /nfs/dbraw/zinc/32/76/23/710327623.db2.gz NRCMDJSZRBUMQK-AWEZNQCLSA-N 1 2 266.385 1.407 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001031986804 710340750 /nfs/dbraw/zinc/34/07/50/710340750.db2.gz FMDQDXKDOKFANB-ZYHUDNBSSA-N 1 2 272.776 1.354 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ncccn1 ZINC001028216579 710353703 /nfs/dbraw/zinc/35/37/03/710353703.db2.gz KYDXNQVBGNUHBV-NSHDSACASA-N 1 2 280.759 1.423 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ncccn1 ZINC001028216579 710353708 /nfs/dbraw/zinc/35/37/08/710353708.db2.gz KYDXNQVBGNUHBV-NSHDSACASA-N 1 2 280.759 1.423 20 30 CDEDLO C#CCSCCOC(=O)[C@H]1CCCC[N@H+]1CC ZINC000835439793 710356063 /nfs/dbraw/zinc/35/60/63/710356063.db2.gz PWOIGXHBRPOZOU-GFCCVEGCSA-N 1 2 255.383 1.770 20 30 CDEDLO C#CCSCCOC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000835439793 710356068 /nfs/dbraw/zinc/35/60/68/710356068.db2.gz PWOIGXHBRPOZOU-GFCCVEGCSA-N 1 2 255.383 1.770 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1C1CCCC1 ZINC000884099006 710361212 /nfs/dbraw/zinc/36/12/12/710361212.db2.gz AXOBKFLMPMQJGB-KBPBESRZSA-N 1 2 294.395 1.614 20 30 CDEDLO Cn1cc(N[NH+]=C2CCCc3nc(N)ccc32)cn1 ZINC000834974559 710366775 /nfs/dbraw/zinc/36/67/75/710366775.db2.gz HOFVNAOQGGHRFS-UHFFFAOYSA-N 1 2 256.313 1.550 20 30 CDEDLO C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1NCC#N ZINC001036269633 710376798 /nfs/dbraw/zinc/37/67/98/710376798.db2.gz VSSWVBBAPYKASG-NWDGAFQWSA-N 1 2 289.383 1.037 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc(C)s2)CC[C@@H]1C ZINC001071381383 710377950 /nfs/dbraw/zinc/37/79/50/710377950.db2.gz NLNZKIMCDZAXGF-JQWIXIFHSA-N 1 2 277.393 1.667 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc(C)s2)CC[C@@H]1C ZINC001071381383 710377951 /nfs/dbraw/zinc/37/79/51/710377951.db2.gz NLNZKIMCDZAXGF-JQWIXIFHSA-N 1 2 277.393 1.667 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cnn(C)c2)CC[C@@H]1C ZINC001071338798 710377999 /nfs/dbraw/zinc/37/79/99/710377999.db2.gz ZJTYHKMUBWHYHX-WCQYABFASA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cnn(C)c2)CC[C@@H]1C ZINC001071338798 710378002 /nfs/dbraw/zinc/37/80/02/710378002.db2.gz ZJTYHKMUBWHYHX-WCQYABFASA-N 1 2 296.802 1.755 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1F ZINC001017437587 710378472 /nfs/dbraw/zinc/37/84/72/710378472.db2.gz LNTRJOIKTZXCJS-BETUJISGSA-N 1 2 287.338 1.533 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1F ZINC001017437587 710378475 /nfs/dbraw/zinc/37/84/75/710378475.db2.gz LNTRJOIKTZXCJS-BETUJISGSA-N 1 2 287.338 1.533 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(N2CCCC2)c1 ZINC001038850936 710387484 /nfs/dbraw/zinc/38/74/84/710387484.db2.gz XZWDFJZADDCMEA-QGZVFWFLSA-N 1 2 297.402 1.724 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(N2CCCC2)c1 ZINC001038850936 710387486 /nfs/dbraw/zinc/38/74/86/710387486.db2.gz XZWDFJZADDCMEA-QGZVFWFLSA-N 1 2 297.402 1.724 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CC(=O)N[C@@H](CC)C2)C1 ZINC001043441451 710390731 /nfs/dbraw/zinc/39/07/31/710390731.db2.gz RZMUQRLOICLTQO-STQMWFEESA-N 1 2 293.411 1.010 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnc(C(C)C)nc2C)C1 ZINC001031057549 710398403 /nfs/dbraw/zinc/39/84/03/710398403.db2.gz RTWXMGRTWKACLM-UHFFFAOYSA-N 1 2 286.379 1.346 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927079041 710418744 /nfs/dbraw/zinc/41/87/44/710418744.db2.gz ZQVYOBNAOMYHAQ-MRXNPFEDSA-N 1 2 289.379 1.812 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001030619314 710441060 /nfs/dbraw/zinc/44/10/60/710441060.db2.gz SHYIYSSPIWRNSK-UHFFFAOYSA-N 1 2 271.364 1.949 20 30 CDEDLO C=CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC001033437494 710452954 /nfs/dbraw/zinc/45/29/54/710452954.db2.gz WUJPYIWUFMUTQQ-LBPRGKRZSA-N 1 2 276.384 1.865 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC001033437494 710452963 /nfs/dbraw/zinc/45/29/63/710452963.db2.gz WUJPYIWUFMUTQQ-LBPRGKRZSA-N 1 2 276.384 1.865 20 30 CDEDLO Cc1ccc(C#N)cc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000935487492 710456688 /nfs/dbraw/zinc/45/66/88/710456688.db2.gz BCMBCAXNJAHYCE-CYBMUJFWSA-N 1 2 280.331 1.808 20 30 CDEDLO C#CCN(C(=O)NCc1ccn2cc[nH+]c2c1)C(C)C ZINC000921488347 710460139 /nfs/dbraw/zinc/46/01/39/710460139.db2.gz RYRHYFZINBHSGR-UHFFFAOYSA-N 1 2 270.336 1.888 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001034195850 710470275 /nfs/dbraw/zinc/47/02/75/710470275.db2.gz UTKISXBBGRMUFD-LLVKDONJSA-N 1 2 297.790 1.152 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001034195850 710470279 /nfs/dbraw/zinc/47/02/79/710470279.db2.gz UTKISXBBGRMUFD-LLVKDONJSA-N 1 2 297.790 1.152 20 30 CDEDLO C#CCNC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000887624537 710480640 /nfs/dbraw/zinc/48/06/40/710480640.db2.gz VCUZXGIXOKAZGS-JOCQHMNTSA-N 1 2 272.352 1.737 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnc3cccnn23)C1 ZINC001044017333 710488475 /nfs/dbraw/zinc/48/84/75/710488475.db2.gz UEIDERQLUAFGHS-UHFFFAOYSA-N 1 2 285.351 1.062 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)CC2(Br)CC2)C1=O ZINC000846890375 710502284 /nfs/dbraw/zinc/50/22/84/710502284.db2.gz IALYIUBXSGOZAY-JTQLQIEISA-N 1 2 287.201 1.633 20 30 CDEDLO C=CCONC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000838709011 710502040 /nfs/dbraw/zinc/50/20/40/710502040.db2.gz MBHJTWHEWTUISW-NSHDSACASA-N 1 2 262.313 1.077 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)CC2(Br)CC2)C1=O ZINC000846890375 710502275 /nfs/dbraw/zinc/50/22/75/710502275.db2.gz IALYIUBXSGOZAY-JTQLQIEISA-N 1 2 287.201 1.633 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H](C)C1 ZINC001018021715 710548075 /nfs/dbraw/zinc/54/80/75/710548075.db2.gz CKCOGVWZCCYJAO-TUVASFSCSA-N 1 2 260.381 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H](C)C1 ZINC001018021715 710548076 /nfs/dbraw/zinc/54/80/76/710548076.db2.gz CKCOGVWZCCYJAO-TUVASFSCSA-N 1 2 260.381 1.731 20 30 CDEDLO C#C[C@@H](CC)NC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000806363516 710551596 /nfs/dbraw/zinc/55/15/96/710551596.db2.gz CHISIPGBFFXMSL-NSHDSACASA-N 1 2 260.341 1.989 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001051194905 710553219 /nfs/dbraw/zinc/55/32/19/710553219.db2.gz OBKIQSJNPTZMMH-LSDHHAIUSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001051194905 710553225 /nfs/dbraw/zinc/55/32/25/710553225.db2.gz OBKIQSJNPTZMMH-LSDHHAIUSA-N 1 2 292.423 1.960 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1CC ZINC001038647672 710560366 /nfs/dbraw/zinc/56/03/66/710560366.db2.gz XWAMYLAJSWYBHP-AWEZNQCLSA-N 1 2 256.349 1.686 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1CC ZINC001038647672 710560369 /nfs/dbraw/zinc/56/03/69/710560369.db2.gz XWAMYLAJSWYBHP-AWEZNQCLSA-N 1 2 256.349 1.686 20 30 CDEDLO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)s1 ZINC001032814074 710561132 /nfs/dbraw/zinc/56/11/32/710561132.db2.gz XEOGVHBOKBHOAY-QWRGUYRKSA-N 1 2 278.352 1.809 20 30 CDEDLO C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)s1 ZINC001032814074 710561136 /nfs/dbraw/zinc/56/11/36/710561136.db2.gz XEOGVHBOKBHOAY-QWRGUYRKSA-N 1 2 278.352 1.809 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CC ZINC001017973464 710570841 /nfs/dbraw/zinc/57/08/41/710570841.db2.gz PRNKZGZQCWXXKA-APIJFGDWSA-N 1 2 260.381 1.731 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CC ZINC001017973464 710570845 /nfs/dbraw/zinc/57/08/45/710570845.db2.gz PRNKZGZQCWXXKA-APIJFGDWSA-N 1 2 260.381 1.731 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Oc1cccc(C)c1 ZINC001032769652 710613344 /nfs/dbraw/zinc/61/33/44/710613344.db2.gz QSFZTYVYOQFVAJ-JYJNAYRXSA-N 1 2 298.386 1.681 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Oc1cccc(C)c1 ZINC001032769652 710613366 /nfs/dbraw/zinc/61/33/66/710613366.db2.gz QSFZTYVYOQFVAJ-JYJNAYRXSA-N 1 2 298.386 1.681 20 30 CDEDLO C=CCN1CC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001044188179 710621628 /nfs/dbraw/zinc/62/16/28/710621628.db2.gz DUBXQQPPPPBWBN-UHFFFAOYSA-N 1 2 262.357 1.016 20 30 CDEDLO C=CCCc1noc(C(C)(C)C[NH+]2CCOCC2)n1 ZINC000924083780 710726568 /nfs/dbraw/zinc/72/65/68/710726568.db2.gz KIHHLGHQOQPHCY-UHFFFAOYSA-N 1 2 265.357 1.798 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC/C=C/c1ccccc1 ZINC000884379784 710794912 /nfs/dbraw/zinc/79/49/12/710794912.db2.gz JQFGXFRSPSBNGG-MRZGDXHCSA-N 1 2 288.347 1.263 20 30 CDEDLO CCn1cc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)cn1 ZINC000852000037 710797913 /nfs/dbraw/zinc/79/79/13/710797913.db2.gz NPDCCWNHLVEKMC-UHFFFAOYSA-N 1 2 296.378 1.492 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1[nH]nc(C)c1C(=O)OCC)[C@H]1CCCO1 ZINC000851951217 710802559 /nfs/dbraw/zinc/80/25/59/710802559.db2.gz WGWHFHIXEHTYLD-DGCLKSJQSA-N 1 2 291.351 1.165 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccnn2)C1 ZINC001033524928 710810989 /nfs/dbraw/zinc/81/09/89/710810989.db2.gz CDDXXWWSQWHGSG-NSHDSACASA-N 1 2 280.759 1.375 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccnn2)C1 ZINC001033524928 710810992 /nfs/dbraw/zinc/81/09/92/710810992.db2.gz CDDXXWWSQWHGSG-NSHDSACASA-N 1 2 280.759 1.375 20 30 CDEDLO C=CCONC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000838707036 710818941 /nfs/dbraw/zinc/81/89/41/710818941.db2.gz FUTHJIDYTWAYBZ-SNVBAGLBSA-N 1 2 250.302 1.416 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](C#N)C1 ZINC000928217683 710828288 /nfs/dbraw/zinc/82/82/88/710828288.db2.gz SUWBBONVUKWIMO-QJPTWQEYSA-N 1 2 258.325 1.286 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC001030765598 710832600 /nfs/dbraw/zinc/83/26/00/710832600.db2.gz GZWOSRWTMYAPPS-AWEZNQCLSA-N 1 2 299.374 1.489 20 30 CDEDLO C#C[C@H]([NH2+][C@@H](C)c1cc(OC)no1)[C@H]1CCCO1 ZINC000926211471 710833968 /nfs/dbraw/zinc/83/39/68/710833968.db2.gz USWPEGZZTNLHOC-GARJFASQSA-N 1 2 250.298 1.515 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCOC[C@H](C)C1 ZINC000328664302 710836015 /nfs/dbraw/zinc/83/60/15/710836015.db2.gz BSNVYFZMQFQXRT-SNVBAGLBSA-N 1 2 280.372 1.593 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCOC[C@H](C)C1 ZINC000328664302 710836017 /nfs/dbraw/zinc/83/60/17/710836017.db2.gz BSNVYFZMQFQXRT-SNVBAGLBSA-N 1 2 280.372 1.593 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2Cc3ccccc3O2)C1 ZINC001042770121 710840540 /nfs/dbraw/zinc/84/05/40/710840540.db2.gz GEMVTJLIANVQAQ-HNNXBMFYSA-N 1 2 286.375 1.709 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2CCOC[C@H]2OCC)C1 ZINC001030693576 710863062 /nfs/dbraw/zinc/86/30/62/710863062.db2.gz PLCMJXOHLPKODI-DZGCQCFKSA-N 1 2 296.411 1.195 20 30 CDEDLO C#C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)[C@@H]1CCCO1 ZINC000844484849 711378134 /nfs/dbraw/zinc/37/81/34/711378134.db2.gz JCPVUUPFMDSDFA-AVGNSLFASA-N 1 2 261.325 1.131 20 30 CDEDLO C[C@H](C#N)OCC[N@H+](C)Cc1nccn1CC(F)(F)F ZINC000801917504 711462874 /nfs/dbraw/zinc/46/28/74/711462874.db2.gz FMLXDMDQHHMVAY-SNVBAGLBSA-N 1 2 290.289 1.806 20 30 CDEDLO C[C@H](C#N)OCC[N@@H+](C)Cc1nccn1CC(F)(F)F ZINC000801917504 711462880 /nfs/dbraw/zinc/46/28/80/711462880.db2.gz FMLXDMDQHHMVAY-SNVBAGLBSA-N 1 2 290.289 1.806 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2ccc(OC)cc2C)C1 ZINC001030365212 711471647 /nfs/dbraw/zinc/47/16/47/711471647.db2.gz QVCVAWASAXMJGD-UHFFFAOYSA-N 1 2 274.364 1.533 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1C)CCO2 ZINC001053141335 711486677 /nfs/dbraw/zinc/48/66/77/711486677.db2.gz SQVMDAADKHDLSF-CHWSQXEVSA-N 1 2 264.369 1.132 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccon2)[C@@H]1C ZINC000993162030 711491720 /nfs/dbraw/zinc/49/17/20/711491720.db2.gz UEFCFCISRBDMMO-WCQYABFASA-N 1 2 297.786 1.939 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccon2)[C@@H]1C ZINC000993162030 711491724 /nfs/dbraw/zinc/49/17/24/711491724.db2.gz UEFCFCISRBDMMO-WCQYABFASA-N 1 2 297.786 1.939 20 30 CDEDLO N#CC1(c2ccccn2)CC[NH+](CC[N+](=O)[O-])CC1 ZINC000930332791 711564813 /nfs/dbraw/zinc/56/48/13/711564813.db2.gz IGRVFPOWGZENJU-UHFFFAOYSA-N 1 2 260.297 1.215 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001035477664 711567895 /nfs/dbraw/zinc/56/78/95/711567895.db2.gz IRCOAQSZNXQHAQ-YJNKXOJESA-N 1 2 278.396 1.426 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001035477664 711567897 /nfs/dbraw/zinc/56/78/97/711567897.db2.gz IRCOAQSZNXQHAQ-YJNKXOJESA-N 1 2 278.396 1.426 20 30 CDEDLO C[C@H](O)CN[NH+]=Cc1cc(F)c(N(C)C)cc1F ZINC000863117563 711575355 /nfs/dbraw/zinc/57/53/55/711575355.db2.gz XANOQLGRCVUYBX-QMMMGPOBSA-N 1 2 257.284 1.335 20 30 CDEDLO C=CCn1cc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCF)C2)nn1 ZINC001071883695 711581203 /nfs/dbraw/zinc/58/12/03/711581203.db2.gz PLCAIBLOSARFHX-NEPJUHHUSA-N 1 2 295.362 1.016 20 30 CDEDLO C=CCn1cc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCF)C2)nn1 ZINC001071883695 711581205 /nfs/dbraw/zinc/58/12/05/711581205.db2.gz PLCAIBLOSARFHX-NEPJUHHUSA-N 1 2 295.362 1.016 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001050978122 711585480 /nfs/dbraw/zinc/58/54/80/711585480.db2.gz JYJDGMOLWOKWSR-CABCVRRESA-N 1 2 292.423 1.960 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001050978122 711585483 /nfs/dbraw/zinc/58/54/83/711585483.db2.gz JYJDGMOLWOKWSR-CABCVRRESA-N 1 2 292.423 1.960 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cnco2)cc1 ZINC001038565776 711585552 /nfs/dbraw/zinc/58/55/52/711585552.db2.gz YBEFBIGJCYLNIG-AWEZNQCLSA-N 1 2 296.330 1.551 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cnco2)cc1 ZINC001038565776 711585555 /nfs/dbraw/zinc/58/55/55/711585555.db2.gz YBEFBIGJCYLNIG-AWEZNQCLSA-N 1 2 296.330 1.551 20 30 CDEDLO C[C@@H](CC(=O)[C@@H](C#N)C(=O)N1CCCC1)n1cc[nH+]c1 ZINC000845438805 711586983 /nfs/dbraw/zinc/58/69/83/711586983.db2.gz BCLUCOBMKSZQNC-NWDGAFQWSA-N 1 2 274.324 1.165 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCOCC2)C1 ZINC001010804476 711593485 /nfs/dbraw/zinc/59/34/85/711593485.db2.gz CNTGGPBLRQSSJE-CHWSQXEVSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCOCC2)C1 ZINC001010804476 711593488 /nfs/dbraw/zinc/59/34/88/711593488.db2.gz CNTGGPBLRQSSJE-CHWSQXEVSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C[C@H](CC)CC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000830162281 711604558 /nfs/dbraw/zinc/60/45/58/711604558.db2.gz HHBKIRRIYAKNIK-ZIAGYGMSSA-N 1 2 268.401 1.816 20 30 CDEDLO C#CCOCC[N@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000852190596 711617046 /nfs/dbraw/zinc/61/70/46/711617046.db2.gz LVZIICCZJNOJHB-BETUJISGSA-N 1 2 295.285 1.439 20 30 CDEDLO C#CCOCC[N@@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000852190596 711617047 /nfs/dbraw/zinc/61/70/47/711617047.db2.gz LVZIICCZJNOJHB-BETUJISGSA-N 1 2 295.285 1.439 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](CN2C[C@@H](c3ccccn3)CC2=O)C1 ZINC000853524855 711636594 /nfs/dbraw/zinc/63/65/94/711636594.db2.gz QZUCBRHRWIHCKF-CABCVRRESA-N 1 2 298.390 1.981 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](CN2C[C@@H](c3ccccn3)CC2=O)C1 ZINC000853524855 711636597 /nfs/dbraw/zinc/63/65/97/711636597.db2.gz QZUCBRHRWIHCKF-CABCVRRESA-N 1 2 298.390 1.981 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC001043330259 711656040 /nfs/dbraw/zinc/65/60/40/711656040.db2.gz OXSKQLQCRIIZCQ-UHFFFAOYSA-N 1 2 298.390 1.824 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001049996111 711674681 /nfs/dbraw/zinc/67/46/81/711674681.db2.gz UKRMJHMQHPIPJY-MBNYWOFBSA-N 1 2 288.351 1.257 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001049996111 711674682 /nfs/dbraw/zinc/67/46/82/711674682.db2.gz UKRMJHMQHPIPJY-MBNYWOFBSA-N 1 2 288.351 1.257 20 30 CDEDLO C#CC[N@H+]1CCCC[C@@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001034130509 711679575 /nfs/dbraw/zinc/67/95/75/711679575.db2.gz IAAFNGPEXPLNEX-CYBMUJFWSA-N 1 2 274.368 1.244 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001034130509 711679577 /nfs/dbraw/zinc/67/95/77/711679577.db2.gz IAAFNGPEXPLNEX-CYBMUJFWSA-N 1 2 274.368 1.244 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(OCC)nc2)C1 ZINC001030397724 711681128 /nfs/dbraw/zinc/68/11/28/711681128.db2.gz KIHRHVUBVYHYBP-UHFFFAOYSA-N 1 2 275.352 1.470 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC2(CC2)C1 ZINC001017930141 711699814 /nfs/dbraw/zinc/69/98/14/711699814.db2.gz VVJZYLMOFLVJBX-OKILXGFUSA-N 1 2 258.365 1.485 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC2(CC2)C1 ZINC001017930141 711699815 /nfs/dbraw/zinc/69/98/15/711699815.db2.gz VVJZYLMOFLVJBX-OKILXGFUSA-N 1 2 258.365 1.485 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2snnc2CC)C1 ZINC001033239778 711702158 /nfs/dbraw/zinc/70/21/58/711702158.db2.gz FROZOHFOXWKXDR-NSHDSACASA-N 1 2 292.408 1.270 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2snnc2CC)C1 ZINC001033239778 711702159 /nfs/dbraw/zinc/70/21/59/711702159.db2.gz FROZOHFOXWKXDR-NSHDSACASA-N 1 2 292.408 1.270 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ncccn2)C1 ZINC001033993606 711715906 /nfs/dbraw/zinc/71/59/06/711715906.db2.gz ADKOGALVULHNRX-LBPRGKRZSA-N 1 2 294.786 1.766 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ncccn2)C1 ZINC001033993606 711715908 /nfs/dbraw/zinc/71/59/08/711715908.db2.gz ADKOGALVULHNRX-LBPRGKRZSA-N 1 2 294.786 1.766 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccon1 ZINC001054034629 711716669 /nfs/dbraw/zinc/71/66/69/711716669.db2.gz UUDBNBBESGJDMR-HNNXBMFYSA-N 1 2 295.342 1.465 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccon1 ZINC001054034629 711716671 /nfs/dbraw/zinc/71/66/71/711716671.db2.gz UUDBNBBESGJDMR-HNNXBMFYSA-N 1 2 295.342 1.465 20 30 CDEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)[C@H]2C)CC1 ZINC000993740091 711717455 /nfs/dbraw/zinc/71/74/55/711717455.db2.gz HUDDNILJFFOVEV-JSGCOSHPSA-N 1 2 293.411 1.187 20 30 CDEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)[C@H]2C)CC1 ZINC000993740091 711717457 /nfs/dbraw/zinc/71/74/57/711717457.db2.gz HUDDNILJFFOVEV-JSGCOSHPSA-N 1 2 293.411 1.187 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1cccc(C#N)c1 ZINC000928636716 711723256 /nfs/dbraw/zinc/72/32/56/711723256.db2.gz PFABRAKRICUGJY-HNNXBMFYSA-N 1 2 287.363 1.399 20 30 CDEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)/C(C)=C\C)C2)CC1 ZINC001052010090 711734515 /nfs/dbraw/zinc/73/45/15/711734515.db2.gz SONTYCGOUNHENG-STJUIISESA-N 1 2 291.439 1.747 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ncccc1F ZINC001051185362 711735077 /nfs/dbraw/zinc/73/50/77/711735077.db2.gz VFYHYVZRKKVXQX-GFCCVEGCSA-N 1 2 293.342 1.227 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ncccc1F ZINC001051185362 711735079 /nfs/dbraw/zinc/73/50/79/711735079.db2.gz VFYHYVZRKKVXQX-GFCCVEGCSA-N 1 2 293.342 1.227 20 30 CDEDLO C=C(C)CC[NH+]1CC(NC(=O)c2cc(C(N)=O)cs2)C1 ZINC001031446377 711739203 /nfs/dbraw/zinc/73/92/03/711739203.db2.gz VHASYIJNAGEEOZ-UHFFFAOYSA-N 1 2 293.392 1.227 20 30 CDEDLO N#CCN1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001015938693 711745892 /nfs/dbraw/zinc/74/58/92/711745892.db2.gz PHILHVVDQYVKFP-AWEZNQCLSA-N 1 2 295.346 1.200 20 30 CDEDLO CCCCCNC(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000079861904 711752167 /nfs/dbraw/zinc/75/21/67/711752167.db2.gz QWQHWGXUCICBOV-UHFFFAOYSA-N 1 2 277.368 1.824 20 30 CDEDLO C[N@H+](Cc1ccon1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027406914 711755205 /nfs/dbraw/zinc/75/52/05/711755205.db2.gz WWHVPLOTGXAUNL-OAHLLOKOSA-N 1 2 287.363 1.511 20 30 CDEDLO C[N@@H+](Cc1ccon1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027406914 711755207 /nfs/dbraw/zinc/75/52/07/711755207.db2.gz WWHVPLOTGXAUNL-OAHLLOKOSA-N 1 2 287.363 1.511 20 30 CDEDLO C[N@@H+](CC(=O)NCCC1=CCCCC1)C[C@H](O)CC#N ZINC000933357513 711761993 /nfs/dbraw/zinc/76/19/93/711761993.db2.gz ZBPAWXKLTCVSAT-CQSZACIVSA-N 1 2 279.384 1.199 20 30 CDEDLO C[N@H+](CC(=O)NCCC1=CCCCC1)C[C@H](O)CC#N ZINC000933357513 711761994 /nfs/dbraw/zinc/76/19/94/711761994.db2.gz ZBPAWXKLTCVSAT-CQSZACIVSA-N 1 2 279.384 1.199 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccn(C)n2)C1 ZINC001034526905 711762198 /nfs/dbraw/zinc/76/21/98/711762198.db2.gz BPVSSZSHPLLIOJ-GFCCVEGCSA-N 1 2 296.802 1.757 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccn(C)n2)C1 ZINC001034526905 711762200 /nfs/dbraw/zinc/76/22/00/711762200.db2.gz BPVSSZSHPLLIOJ-GFCCVEGCSA-N 1 2 296.802 1.757 20 30 CDEDLO C#CC1(O)C[NH+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000934443125 711762870 /nfs/dbraw/zinc/76/28/70/711762870.db2.gz CPDDHGLOKMEKNZ-UHFFFAOYSA-N 1 2 294.395 1.313 20 30 CDEDLO COCC#CC[N@@H+]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000832703432 711763279 /nfs/dbraw/zinc/76/32/79/711763279.db2.gz VFORZNHQSKDKTJ-UHFFFAOYSA-N 1 2 296.411 1.968 20 30 CDEDLO COCC#CC[N@H+]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000832703432 711763280 /nfs/dbraw/zinc/76/32/80/711763280.db2.gz VFORZNHQSKDKTJ-UHFFFAOYSA-N 1 2 296.411 1.968 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(C)(C)C ZINC001032560871 711773170 /nfs/dbraw/zinc/77/31/70/711773170.db2.gz STEJYROTJHOESS-STQMWFEESA-N 1 2 262.397 1.977 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(C)(C)C ZINC001032560871 711773171 /nfs/dbraw/zinc/77/31/71/711773171.db2.gz STEJYROTJHOESS-STQMWFEESA-N 1 2 262.397 1.977 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001038635062 711779774 /nfs/dbraw/zinc/77/97/74/711779774.db2.gz SMUOWKVIQPFFCD-UKRRQHHQSA-N 1 2 272.323 1.289 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001038635062 711779775 /nfs/dbraw/zinc/77/97/75/711779775.db2.gz SMUOWKVIQPFFCD-UKRRQHHQSA-N 1 2 272.323 1.289 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cncc(OC)c2C)C1 ZINC001043083328 711783776 /nfs/dbraw/zinc/78/37/76/711783776.db2.gz CSHKFEMVVGFNNT-UHFFFAOYSA-N 1 2 287.363 1.178 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(F)c1Cl ZINC001038751433 711787777 /nfs/dbraw/zinc/78/77/77/711787777.db2.gz PPSWEOCTGYQTHK-SNVBAGLBSA-N 1 2 280.730 1.916 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(F)c1Cl ZINC001038751433 711787778 /nfs/dbraw/zinc/78/77/78/711787778.db2.gz PPSWEOCTGYQTHK-SNVBAGLBSA-N 1 2 280.730 1.916 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(CC(C)C)[nH]n1 ZINC000779377298 711787962 /nfs/dbraw/zinc/78/79/62/711787962.db2.gz KKWVPOPYAIKGMU-ZDUSSCGKSA-N 1 2 274.368 1.644 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(CC(C)C)[nH]n1 ZINC000779377298 711787963 /nfs/dbraw/zinc/78/79/63/711787963.db2.gz KKWVPOPYAIKGMU-ZDUSSCGKSA-N 1 2 274.368 1.644 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ncc[nH]3)[C@@H]2C1 ZINC001075770588 711788408 /nfs/dbraw/zinc/78/84/08/711788408.db2.gz BGNVUGRIDZWIBV-WDEREUQCSA-N 1 2 280.759 1.309 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ncc[nH]3)[C@@H]2C1 ZINC001075770588 711788409 /nfs/dbraw/zinc/78/84/09/711788409.db2.gz BGNVUGRIDZWIBV-WDEREUQCSA-N 1 2 280.759 1.309 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(F)ccc1CC ZINC001038462409 711795665 /nfs/dbraw/zinc/79/56/65/711795665.db2.gz IKOLZDFDPIRZFI-AWEZNQCLSA-N 1 2 274.339 1.825 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)ccc1CC ZINC001038462409 711795666 /nfs/dbraw/zinc/79/56/66/711795666.db2.gz IKOLZDFDPIRZFI-AWEZNQCLSA-N 1 2 274.339 1.825 20 30 CDEDLO C=C(Br)C[NH+]1CCC(NC(=O)NC)CC1 ZINC000839666430 711796639 /nfs/dbraw/zinc/79/66/39/711796639.db2.gz MTCGZTWQZGKWDP-UHFFFAOYSA-N 1 2 276.178 1.288 20 30 CDEDLO C#CC[C@H]([NH2+][C@@H]1CCc2cccnc2CC1)C(=O)OC ZINC000877582807 711808152 /nfs/dbraw/zinc/80/81/52/711808152.db2.gz HVEUVFTWJNJEIM-HIFRSBDPSA-N 1 2 272.348 1.484 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[N@@H+]([C@@H](C)c2cnccn2)CC1 ZINC000980848790 711808523 /nfs/dbraw/zinc/80/85/23/711808523.db2.gz BRTVIBQEYZCCQQ-OLZOCXBDSA-N 1 2 287.367 1.232 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[N@H+]([C@@H](C)c2cnccn2)CC1 ZINC000980848790 711808525 /nfs/dbraw/zinc/80/85/25/711808525.db2.gz BRTVIBQEYZCCQQ-OLZOCXBDSA-N 1 2 287.367 1.232 20 30 CDEDLO N#CCCCn1cc(-c2csc(Cn3cc[nH+]c3)n2)nn1 ZINC000887531142 711813271 /nfs/dbraw/zinc/81/32/71/711813271.db2.gz CGTCDEPFQGIKAC-UHFFFAOYSA-N 1 2 299.363 1.950 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001035331156 711814989 /nfs/dbraw/zinc/81/49/89/711814989.db2.gz RIPWSBWQRVTJAR-BYNSBNAKSA-N 1 2 278.396 1.426 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001035331156 711814990 /nfs/dbraw/zinc/81/49/90/711814990.db2.gz RIPWSBWQRVTJAR-BYNSBNAKSA-N 1 2 278.396 1.426 20 30 CDEDLO C#CC[C@H](CCOC)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000863780109 711817576 /nfs/dbraw/zinc/81/75/76/711817576.db2.gz XPOHVXZOFFXHAS-NWDGAFQWSA-N 1 2 263.341 1.133 20 30 CDEDLO C#CC[C@H](CCOC)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000863780109 711817577 /nfs/dbraw/zinc/81/75/77/711817577.db2.gz XPOHVXZOFFXHAS-NWDGAFQWSA-N 1 2 263.341 1.133 20 30 CDEDLO Cc1nc(C#N)cc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000882087345 711817579 /nfs/dbraw/zinc/81/75/79/711817579.db2.gz LTNXPOKGEUBNAI-RISCZKNCSA-N 1 2 282.351 1.941 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2n[nH]cc21 ZINC001017555649 711818111 /nfs/dbraw/zinc/81/81/11/711818111.db2.gz RVIIDKJCXOHXQP-MJBXVCDLSA-N 1 2 298.390 1.138 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2n[nH]cc21 ZINC001017555649 711818112 /nfs/dbraw/zinc/81/81/12/711818112.db2.gz RVIIDKJCXOHXQP-MJBXVCDLSA-N 1 2 298.390 1.138 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc(C)s2)CC[C@H]1C ZINC001071381384 711823865 /nfs/dbraw/zinc/82/38/65/711823865.db2.gz NLNZKIMCDZAXGF-PWSUYJOCSA-N 1 2 277.393 1.667 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc(C)s2)CC[C@H]1C ZINC001071381384 711823866 /nfs/dbraw/zinc/82/38/66/711823866.db2.gz NLNZKIMCDZAXGF-PWSUYJOCSA-N 1 2 277.393 1.667 20 30 CDEDLO N#CCC1(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC000797562736 711826912 /nfs/dbraw/zinc/82/69/12/711826912.db2.gz GVRFDVJXCBFDIH-UHFFFAOYSA-N 1 2 254.293 1.758 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc(CC)s2)[C@H]1C ZINC000994504168 711830008 /nfs/dbraw/zinc/83/00/08/711830008.db2.gz FNTZSIZKKWLIJO-VXGBXAGGSA-N 1 2 291.420 1.921 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc(CC)s2)[C@H]1C ZINC000994504168 711830010 /nfs/dbraw/zinc/83/00/10/711830010.db2.gz FNTZSIZKKWLIJO-VXGBXAGGSA-N 1 2 291.420 1.921 20 30 CDEDLO COc1ccc(C[NH2+][C@H](C)c2cn(C)nn2)cc1C#N ZINC000720567862 711831500 /nfs/dbraw/zinc/83/15/00/711831500.db2.gz QFCHHBONPYNKRI-SNVBAGLBSA-N 1 2 271.324 1.546 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)cs2)C1 ZINC001035367332 711835201 /nfs/dbraw/zinc/83/52/01/711835201.db2.gz JQYIZFQHELUYKA-CYBMUJFWSA-N 1 2 292.404 1.510 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc(C)cs2)C1 ZINC001035367332 711835202 /nfs/dbraw/zinc/83/52/02/711835202.db2.gz JQYIZFQHELUYKA-CYBMUJFWSA-N 1 2 292.404 1.510 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(N(C)C)c1 ZINC001018213472 711837212 /nfs/dbraw/zinc/83/72/12/711837212.db2.gz QRWDGJJEFSZWIP-CALCHBBNSA-N 1 2 297.402 1.675 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(N(C)C)c1 ZINC001018213472 711837213 /nfs/dbraw/zinc/83/72/13/711837213.db2.gz QRWDGJJEFSZWIP-CALCHBBNSA-N 1 2 297.402 1.675 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2cccnc21 ZINC001038637164 711837440 /nfs/dbraw/zinc/83/74/40/711837440.db2.gz FNXAZVJNZLMJQF-CABCVRRESA-N 1 2 283.375 1.325 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2cccnc21 ZINC001038637164 711837441 /nfs/dbraw/zinc/83/74/41/711837441.db2.gz FNXAZVJNZLMJQF-CABCVRRESA-N 1 2 283.375 1.325 20 30 CDEDLO C=CC[NH+]1CCN(c2nccc(OC)c2C#N)CC1 ZINC001165031461 721865866 /nfs/dbraw/zinc/86/58/66/721865866.db2.gz KOSZBFZGQRCTET-UHFFFAOYSA-N 1 2 258.325 1.270 20 30 CDEDLO C=CC[NH+]1CCN(c2cc(Cl)nc3[nH]cnc32)CC1 ZINC001165031410 721866559 /nfs/dbraw/zinc/86/65/59/721866559.db2.gz HURQXBJSCMKKBM-UHFFFAOYSA-N 1 2 277.759 1.919 20 30 CDEDLO CN(Cc1cc(C#N)cs1)C(=O)Cc1c[nH+]cn1C ZINC000887968466 1166584342 /nfs/dbraw/zinc/58/43/42/1166584342.db2.gz LZNZTVRJDOETKO-UHFFFAOYSA-N 1 2 274.349 1.554 20 30 CDEDLO CO[C@H]1C[NH2+][C@@H](C(=O)OCc2cc(C#N)ccc2F)C1 ZINC001574001381 1167628322 /nfs/dbraw/zinc/62/83/22/1167628322.db2.gz WQUWWVRSHXSDJL-DGCLKSJQSA-N 1 2 278.283 1.117 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)n[nH]c2C)[C@H]1C ZINC001088925561 912298956 /nfs/dbraw/zinc/29/89/56/912298956.db2.gz FVLBVWXBBZDYPR-NEPJUHHUSA-N 1 2 296.802 1.972 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)n[nH]c2C)[C@H]1C ZINC001088925561 912298967 /nfs/dbraw/zinc/29/89/67/912298967.db2.gz FVLBVWXBBZDYPR-NEPJUHHUSA-N 1 2 296.802 1.972 20 30 CDEDLO CCOC(=O)C[C@H]1CC[C@H]([NH2+]C2(C#N)CCOCC2)C1 ZINC001173634408 912676514 /nfs/dbraw/zinc/67/65/14/912676514.db2.gz PUPGEMJZYOYVLL-STQMWFEESA-N 1 2 280.368 1.771 20 30 CDEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@H](CC(=O)OCC)C1)C(=O)OC ZINC001173638643 912683666 /nfs/dbraw/zinc/68/36/66/912683666.db2.gz YRJOJCUHNCMAFW-XQQFMLRXSA-N 1 2 281.352 1.263 20 30 CDEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cocn1)CC2 ZINC001272374571 912971353 /nfs/dbraw/zinc/97/13/53/912971353.db2.gz GSFRAYORMSDZFO-ZDUSSCGKSA-N 1 2 273.336 1.026 20 30 CDEDLO Cc1nc(NCC[C@@H](C)NC(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001106269278 913753660 /nfs/dbraw/zinc/75/36/60/913753660.db2.gz RPXNIDUQYMCMNQ-VHSXEESVSA-N 1 2 261.329 1.251 20 30 CDEDLO C[C@@H](CNc1ccc(C#N)cn1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001104604651 898783101 /nfs/dbraw/zinc/78/31/01/898783101.db2.gz SCPHLAIWXZIISG-LBPRGKRZSA-N 1 2 298.350 1.109 20 30 CDEDLO C=C(C)CCC(=O)N1CC(n2cc(C[NH2+]CCF)nn2)C1 ZINC001105252603 899988179 /nfs/dbraw/zinc/98/81/79/899988179.db2.gz ZGROWKKTHIVDEG-UHFFFAOYSA-N 1 2 295.362 1.077 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C(\C)CC)C[C@@H]21 ZINC001177002266 914426392 /nfs/dbraw/zinc/42/63/92/914426392.db2.gz YDANVBBROJLVGW-TZLBIFBXSA-N 1 2 278.396 1.830 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C(\C)CC)C[C@@H]21 ZINC001177002266 914426397 /nfs/dbraw/zinc/42/63/97/914426397.db2.gz YDANVBBROJLVGW-TZLBIFBXSA-N 1 2 278.396 1.830 20 30 CDEDLO Cc1cnc([C@@H](C)[NH2+]CCNC(=O)c2c[nH]c(C#N)c2)o1 ZINC001125988236 900345605 /nfs/dbraw/zinc/34/56/05/900345605.db2.gz QOYRJDGKTICZNI-SNVBAGLBSA-N 1 2 287.323 1.263 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](CC)[C@@H]2C1 ZINC001177108143 914490913 /nfs/dbraw/zinc/49/09/13/914490913.db2.gz YMFAMFBLEWNJFO-ZIAGYGMSSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](CC)[C@@H]2C1 ZINC001177108143 914490928 /nfs/dbraw/zinc/49/09/28/914490928.db2.gz YMFAMFBLEWNJFO-ZIAGYGMSSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CCOCC(=O)NC[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001103900600 902791506 /nfs/dbraw/zinc/79/15/06/902791506.db2.gz UKRBVNGKJJORMT-NSHDSACASA-N 1 2 278.356 1.152 20 30 CDEDLO CN(CC(=O)Nc1[nH]ccc1C#N)c1cccc[nH+]1 ZINC001177408757 914662921 /nfs/dbraw/zinc/66/29/21/914662921.db2.gz BMGKMXIYLBPLGZ-UHFFFAOYSA-N 1 2 255.281 1.356 20 30 CDEDLO C=CC[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2COCCOC ZINC001268968023 903289032 /nfs/dbraw/zinc/28/90/32/903289032.db2.gz IIGIZJOGWDEAHS-ILXRZTDVSA-N 1 2 296.411 1.494 20 30 CDEDLO C=CC[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2COCCOC ZINC001268968023 903289052 /nfs/dbraw/zinc/28/90/52/903289052.db2.gz IIGIZJOGWDEAHS-ILXRZTDVSA-N 1 2 296.411 1.494 20 30 CDEDLO C=CCCCC(=O)N[C@H]1CC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001269061271 903379835 /nfs/dbraw/zinc/37/98/35/903379835.db2.gz IVJZBHXPMSCUGE-AWEZNQCLSA-N 1 2 288.395 1.832 20 30 CDEDLO C=CCCCC(=O)N[C@H]1CC[N@H+](Cc2cnc(C)cn2)C1 ZINC001269061271 903379842 /nfs/dbraw/zinc/37/98/42/903379842.db2.gz IVJZBHXPMSCUGE-AWEZNQCLSA-N 1 2 288.395 1.832 20 30 CDEDLO Cn1c[nH+]c(CCNC(=O)c2cccc(CC#N)c2)c1 ZINC001188682671 921151946 /nfs/dbraw/zinc/15/19/46/921151946.db2.gz UXAMCQZBWYOGBG-UHFFFAOYSA-N 1 2 268.320 1.459 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cccnc2)[C@H]1C ZINC001088524745 907603825 /nfs/dbraw/zinc/60/38/25/907603825.db2.gz LHKGLZWJKXZZEH-OCCSQVGLSA-N 1 2 293.798 1.956 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cccnc2)[C@H]1C ZINC001088524745 907603832 /nfs/dbraw/zinc/60/38/32/907603832.db2.gz LHKGLZWJKXZZEH-OCCSQVGLSA-N 1 2 293.798 1.956 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2nnc(C)o2)[C@H]1C ZINC001088553667 907765770 /nfs/dbraw/zinc/76/57/70/907765770.db2.gz SNNYRWSHIAHCIA-KOLCDFICSA-N 1 2 298.774 1.252 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2nnc(C)o2)[C@H]1C ZINC001088553667 907765773 /nfs/dbraw/zinc/76/57/73/907765773.db2.gz SNNYRWSHIAHCIA-KOLCDFICSA-N 1 2 298.774 1.252 20 30 CDEDLO Cc1cnc([C@@H](C)[NH2+]CCNC(=O)C#CC2CC2)o1 ZINC001126876050 909482244 /nfs/dbraw/zinc/48/22/44/909482244.db2.gz ZGCDNAWBIYBAII-LLVKDONJSA-N 1 2 261.325 1.163 20 30 CDEDLO Cc1cccc2c1CC[C@H](N1CC[NH2+]C[C@@H]1C#N)C2 ZINC001171565382 910830969 /nfs/dbraw/zinc/83/09/69/910830969.db2.gz OKSAANIHMWCTNX-GJZGRUSLSA-N 1 2 255.365 1.650 20 30 CDEDLO C=CC[C@@](C)([NH2+][C@H]1CCN(CC)C(=O)C1)C(=O)OC ZINC001172040921 911170549 /nfs/dbraw/zinc/17/05/49/911170549.db2.gz GXULGSZEVBFZMJ-SMDDNHRTSA-N 1 2 268.357 1.095 20 30 CDEDLO CC(=O)Nc1ccc(NC(=O)[C@@H](C)n2cc[nH+]c2)cc1C#N ZINC001177925501 915039752 /nfs/dbraw/zinc/03/97/52/915039752.db2.gz KLKLIYDMGYKAGD-SNVBAGLBSA-N 1 2 297.318 1.913 20 30 CDEDLO N#Cc1cc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)ccc1O ZINC001178118260 915183450 /nfs/dbraw/zinc/18/34/50/915183450.db2.gz RMJPRSNLOICROE-SNVBAGLBSA-N 1 2 282.303 1.661 20 30 CDEDLO CC#CC[NH2+][C@@H]1C[C@H](NC(=O)c2[nH]ncc2F)C12CCC2 ZINC001203356878 915489834 /nfs/dbraw/zinc/48/98/34/915489834.db2.gz CDSMTKNLOQZTPP-NEPJUHHUSA-N 1 2 290.342 1.203 20 30 CDEDLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1nc2ncccc2cc1C#N ZINC001178690172 915565901 /nfs/dbraw/zinc/56/59/01/915565901.db2.gz ORTIZAQAUWVLOB-ZDUSSCGKSA-N 1 2 295.346 1.924 20 30 CDEDLO C[N@H+]1CCCC[C@H]1C(=O)Nc1nc2ncccc2cc1C#N ZINC001178690172 915565916 /nfs/dbraw/zinc/56/59/16/915565916.db2.gz ORTIZAQAUWVLOB-ZDUSSCGKSA-N 1 2 295.346 1.924 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)NCCCCCCNCC#N ZINC001179097163 915748341 /nfs/dbraw/zinc/74/83/41/915748341.db2.gz DXUTWDWBVJXOPC-UHFFFAOYSA-N 1 2 291.399 1.142 20 30 CDEDLO Cc1c[nH+]c2n1CCC21CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001179897000 916037477 /nfs/dbraw/zinc/03/74/77/916037477.db2.gz XGQVQZUFINDEFF-NSHDSACASA-N 1 2 272.352 1.615 20 30 CDEDLO COc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c(C#N)c1 ZINC001137701164 936392039 /nfs/dbraw/zinc/39/20/39/936392039.db2.gz NYGLXFJYIVFVIL-CVEARBPZSA-N 1 2 287.363 1.082 20 30 CDEDLO COc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c(C#N)c1 ZINC001137701164 936392043 /nfs/dbraw/zinc/39/20/43/936392043.db2.gz NYGLXFJYIVFVIL-CVEARBPZSA-N 1 2 287.363 1.082 20 30 CDEDLO N#Cc1ccccc1CC(=O)NCCOc1cc[nH+]cc1 ZINC001181805456 917392228 /nfs/dbraw/zinc/39/22/28/917392228.db2.gz KTADHTSJIDQNJE-UHFFFAOYSA-N 1 2 281.315 1.691 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001182214924 917725235 /nfs/dbraw/zinc/72/52/35/917725235.db2.gz MBADECWEQYOBLF-LLVKDONJSA-N 1 2 278.381 1.032 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2ccn(C)n2)C1=O ZINC001272733365 917730642 /nfs/dbraw/zinc/73/06/42/917730642.db2.gz LLSWEPHDTQISOL-HNNXBMFYSA-N 1 2 274.368 1.173 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccn(C)n2)C1=O ZINC001272733365 917730648 /nfs/dbraw/zinc/73/06/48/917730648.db2.gz LLSWEPHDTQISOL-HNNXBMFYSA-N 1 2 274.368 1.173 20 30 CDEDLO C[C@@H]([NH2+]CCNC(=O)[C@@H](C)C#N)c1ncc(C(C)(C)C)o1 ZINC001124901842 917750600 /nfs/dbraw/zinc/75/06/00/917750600.db2.gz DGPWUKROHVUEPX-WDEREUQCSA-N 1 2 292.383 1.899 20 30 CDEDLO CCCCc1noc([C@H](C)[NH2+]CCNC(=O)[C@@H](C)C#N)n1 ZINC001124908626 917758704 /nfs/dbraw/zinc/75/87/04/917758704.db2.gz OHEVHOROEROTAQ-QWRGUYRKSA-N 1 2 293.371 1.339 20 30 CDEDLO CCN(C(=O)[C@H](C)c1ccc(C#N)cc1)C1C[NH+](C)C1 ZINC001182792473 918128032 /nfs/dbraw/zinc/12/80/32/918128032.db2.gz FUTFVDFITSATOB-GFCCVEGCSA-N 1 2 271.364 1.824 20 30 CDEDLO COc1cccc(NC(=O)[C@@H]2CC[N@@H+]2C(C)C)c1C#N ZINC001182851832 918199673 /nfs/dbraw/zinc/19/96/73/918199673.db2.gz JLPHCRQFZGXUIP-ZDUSSCGKSA-N 1 2 273.336 1.988 20 30 CDEDLO COc1cccc(NC(=O)[C@@H]2CC[N@H+]2C(C)C)c1C#N ZINC001182851832 918199681 /nfs/dbraw/zinc/19/96/81/918199681.db2.gz JLPHCRQFZGXUIP-ZDUSSCGKSA-N 1 2 273.336 1.988 20 30 CDEDLO C=CCCOCC(=O)NC/C=C/CNc1cc[nH+]c(C)n1 ZINC001107235505 918290463 /nfs/dbraw/zinc/29/04/63/918290463.db2.gz JEPUJDORCPVKFB-AATRIKPKSA-N 1 2 290.367 1.462 20 30 CDEDLO C=CCCC(=O)N[C@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001107647696 918556810 /nfs/dbraw/zinc/55/68/10/918556810.db2.gz VVGGVDGBYUEQNB-SNVBAGLBSA-N 1 2 292.387 1.129 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(C)o2)C1 ZINC001107716185 918672845 /nfs/dbraw/zinc/67/28/45/918672845.db2.gz BVBJOBYBWHGCRK-OAHLLOKOSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(C)o2)C1 ZINC001107716185 918672860 /nfs/dbraw/zinc/67/28/60/918672860.db2.gz BVBJOBYBWHGCRK-OAHLLOKOSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccoc2)C1 ZINC001107736246 918708190 /nfs/dbraw/zinc/70/81/90/918708190.db2.gz SGOXHBLEUOESCO-CQSZACIVSA-N 1 2 264.325 1.286 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccoc2)C1 ZINC001107736246 918708200 /nfs/dbraw/zinc/70/82/00/918708200.db2.gz SGOXHBLEUOESCO-CQSZACIVSA-N 1 2 264.325 1.286 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)OCC)C1 ZINC001107788689 918782295 /nfs/dbraw/zinc/78/22/95/918782295.db2.gz JWCIUYCRNGIGOC-GDBMZVCRSA-N 1 2 296.411 1.032 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)OCC)C1 ZINC001107788689 918782305 /nfs/dbraw/zinc/78/23/05/918782305.db2.gz JWCIUYCRNGIGOC-GDBMZVCRSA-N 1 2 296.411 1.032 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cscn2)C1 ZINC001107809278 918808843 /nfs/dbraw/zinc/80/88/43/918808843.db2.gz IRRGDJNJJQGVBL-CYBMUJFWSA-N 1 2 281.381 1.150 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cscn2)C1 ZINC001107809278 918808855 /nfs/dbraw/zinc/80/88/55/918808855.db2.gz IRRGDJNJJQGVBL-CYBMUJFWSA-N 1 2 281.381 1.150 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)/C=C\C(C)(C)C)C1 ZINC001107821656 918829996 /nfs/dbraw/zinc/82/99/96/918829996.db2.gz SPXGMGHVISXAGQ-XZVRFQMRSA-N 1 2 292.423 1.819 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)/C=C\C(C)(C)C)C1 ZINC001107821656 918830003 /nfs/dbraw/zinc/83/00/03/918830003.db2.gz SPXGMGHVISXAGQ-XZVRFQMRSA-N 1 2 292.423 1.819 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001107848577 918875288 /nfs/dbraw/zinc/87/52/88/918875288.db2.gz QSVXKAGTOOIYBO-HWMZRRJGSA-N 1 2 290.407 1.263 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001107848577 918875297 /nfs/dbraw/zinc/87/52/97/918875297.db2.gz QSVXKAGTOOIYBO-HWMZRRJGSA-N 1 2 290.407 1.263 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)COC(C)(C)C)C1 ZINC001107880792 918974770 /nfs/dbraw/zinc/97/47/70/918974770.db2.gz SMKICRHYXOZMCM-MRXNPFEDSA-N 1 2 296.411 1.032 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)COC(C)(C)C)C1 ZINC001107880792 918974780 /nfs/dbraw/zinc/97/47/80/918974780.db2.gz SMKICRHYXOZMCM-MRXNPFEDSA-N 1 2 296.411 1.032 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)/C=C(\C)CC)C1 ZINC001107923606 919049874 /nfs/dbraw/zinc/04/98/74/919049874.db2.gz GOMMTNUYIDGKBB-VOMSXAGXSA-N 1 2 266.385 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)/C=C(\C)CC)C1 ZINC001107923606 919049882 /nfs/dbraw/zinc/04/98/82/919049882.db2.gz GOMMTNUYIDGKBB-VOMSXAGXSA-N 1 2 266.385 1.736 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccncc2C)C1 ZINC001107926986 919063007 /nfs/dbraw/zinc/06/30/07/919063007.db2.gz RBNXTYMHMCIDKM-MRXNPFEDSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccncc2C)C1 ZINC001107926986 919063022 /nfs/dbraw/zinc/06/30/22/919063022.db2.gz RBNXTYMHMCIDKM-MRXNPFEDSA-N 1 2 289.379 1.397 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnn(Cc3ccccc3)c2)CC1 ZINC001138767457 936565042 /nfs/dbraw/zinc/56/50/42/936565042.db2.gz SITKZHYZNKTMNE-UHFFFAOYSA-N 1 2 294.402 1.682 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Nc2c(C)noc2C)CC1 ZINC001185161472 919445677 /nfs/dbraw/zinc/44/56/77/919445677.db2.gz JKOGOUSLSPRZQP-UHFFFAOYSA-N 1 2 264.329 1.627 20 30 CDEDLO C=CC[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)OCC)C1)C(=O)OC ZINC001255342272 936609894 /nfs/dbraw/zinc/60/98/94/936609894.db2.gz HDZJLSFXRUJKQR-XQQFMLRXSA-N 1 2 283.368 1.816 20 30 CDEDLO COc1ncc(C[N@H+](C)Cc2ccc(C#N)cc2)c(OC)n1 ZINC001139231840 936610277 /nfs/dbraw/zinc/61/02/77/936610277.db2.gz MYELEFXMDFYNNR-UHFFFAOYSA-N 1 2 298.346 1.997 20 30 CDEDLO COc1ncc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(OC)n1 ZINC001139231840 936610278 /nfs/dbraw/zinc/61/02/78/936610278.db2.gz MYELEFXMDFYNNR-UHFFFAOYSA-N 1 2 298.346 1.997 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c(N)c(OC)ccc2OC)CC1 ZINC001139281240 936613855 /nfs/dbraw/zinc/61/38/55/936613855.db2.gz XKGQMCIUVSADSP-UHFFFAOYSA-N 1 2 289.379 1.037 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)COC)C2 ZINC001110379789 919986983 /nfs/dbraw/zinc/98/69/83/919986983.db2.gz CJXWROJAYPPGRM-JHEVNIALSA-N 1 2 286.803 1.743 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)COC)C2 ZINC001110379789 919987005 /nfs/dbraw/zinc/98/70/05/919987005.db2.gz CJXWROJAYPPGRM-JHEVNIALSA-N 1 2 286.803 1.743 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(CC)o2)C1 ZINC001108031738 920124264 /nfs/dbraw/zinc/12/42/64/920124264.db2.gz FHVCRAZOYQSEMF-MRXNPFEDSA-N 1 2 292.379 1.849 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(CC)o2)C1 ZINC001108031738 920124278 /nfs/dbraw/zinc/12/42/78/920124278.db2.gz FHVCRAZOYQSEMF-MRXNPFEDSA-N 1 2 292.379 1.849 20 30 CDEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)[C@@H]1C[C@@H]1C#N ZINC001186977531 920280250 /nfs/dbraw/zinc/28/02/50/920280250.db2.gz QOXJTNFTFRFUKL-UKRRQHHQSA-N 1 2 280.331 1.990 20 30 CDEDLO N#Cc1cc(F)cc(CN2CCn3c[nH+]cc3C2)c1 ZINC001139875651 936655480 /nfs/dbraw/zinc/65/54/80/936655480.db2.gz YBNUZVXTXOAEHB-UHFFFAOYSA-N 1 2 256.284 1.910 20 30 CDEDLO CN(CC[NH+]1CC(CC#N)C1)C(=O)OC(C)(C)C ZINC001202987527 936661437 /nfs/dbraw/zinc/66/14/37/936661437.db2.gz AZCQOLFLNLYOMB-UHFFFAOYSA-N 1 2 253.346 1.699 20 30 CDEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](CC(=O)N(C)C)CCO2 ZINC001203015147 936688293 /nfs/dbraw/zinc/68/82/93/936688293.db2.gz SQIJOKAIYRQJNA-GDBMZVCRSA-N 1 2 296.411 1.148 20 30 CDEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](CC(=O)N(C)C)CCO2 ZINC001203015147 936688294 /nfs/dbraw/zinc/68/82/94/936688294.db2.gz 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/nfs/dbraw/zinc/19/00/00/922190000.db2.gz SKOHAUGCBLZXCZ-KRWDZBQOSA-N 1 2 292.423 1.797 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc(C)c(C)s1)C2 ZINC001098436855 936751958 /nfs/dbraw/zinc/75/19/58/936751958.db2.gz ZPKXEFSOAATWPK-UPJWGTAASA-N 1 2 289.404 1.728 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc(C)c(C)s1)C2 ZINC001098436855 936751959 /nfs/dbraw/zinc/75/19/59/936751959.db2.gz ZPKXEFSOAATWPK-UPJWGTAASA-N 1 2 289.404 1.728 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)C(F)(F)F)C1 ZINC001108133130 922699110 /nfs/dbraw/zinc/69/91/10/922699110.db2.gz VDSFNYCANTYZIX-JQWIXIFHSA-N 1 2 294.317 1.578 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)C(F)(F)F)C1 ZINC001108133130 922699114 /nfs/dbraw/zinc/69/91/14/922699114.db2.gz VDSFNYCANTYZIX-JQWIXIFHSA-N 1 2 294.317 1.578 20 30 CDEDLO C#CCC1(C(=O)NCC[NH2+][C@H](C)c2nnc(C)o2)CCC1 ZINC001129125128 922927934 /nfs/dbraw/zinc/92/79/34/922927934.db2.gz MUGUWVHDNBZTSH-LLVKDONJSA-N 1 2 290.367 1.338 20 30 CDEDLO C[C@]1(CO)C[N@H+](Cc2ccc(F)cc2C#N)CC[C@@H]1O ZINC001141164348 936823511 /nfs/dbraw/zinc/82/35/11/936823511.db2.gz YTYFOHQKKMMQLM-LSDHHAIUSA-N 1 2 278.327 1.263 20 30 CDEDLO C[C@]1(CO)C[N@@H+](Cc2ccc(F)cc2C#N)CC[C@@H]1O ZINC001141164348 936823513 /nfs/dbraw/zinc/82/35/13/936823513.db2.gz YTYFOHQKKMMQLM-LSDHHAIUSA-N 1 2 278.327 1.263 20 30 CDEDLO Cc1[nH+]ccn1CCNC(=O)c1ccc(O)c(C#N)c1 ZINC001193511583 923756850 /nfs/dbraw/zinc/75/68/50/923756850.db2.gz CIIDYJLMADKJFL-UHFFFAOYSA-N 1 2 270.292 1.199 20 30 CDEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](F)CC)C[C@H]2O)CCC1 ZINC001193684571 923856565 /nfs/dbraw/zinc/85/65/65/923856565.db2.gz BEQZBJKSIGGZPX-BFHYXJOUSA-N 1 2 296.386 1.089 20 30 CDEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](F)CC)C[C@H]2O)CCC1 ZINC001193684571 923856579 /nfs/dbraw/zinc/85/65/79/923856579.db2.gz BEQZBJKSIGGZPX-BFHYXJOUSA-N 1 2 296.386 1.089 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cccn2)C1 ZINC001079423552 924299892 /nfs/dbraw/zinc/29/98/92/924299892.db2.gz 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C#CC[N@@H+]1C[C@@H](NC(=O)C2(C)CCCC2)[C@H](OC)C1 ZINC001081996584 924837591 /nfs/dbraw/zinc/83/75/91/924837591.db2.gz NVMUSRLIJKIQGC-CHWSQXEVSA-N 1 2 264.369 1.015 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C)CCCC2)[C@H](OC)C1 ZINC001081996584 924837598 /nfs/dbraw/zinc/83/75/98/924837598.db2.gz NVMUSRLIJKIQGC-CHWSQXEVSA-N 1 2 264.369 1.015 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)C=C)CC1 ZINC001196732103 924973088 /nfs/dbraw/zinc/97/30/88/924973088.db2.gz MTRGTIUARBIONN-UHFFFAOYSA-N 1 2 293.411 1.035 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)C=C)CC1 ZINC001196732103 924973092 /nfs/dbraw/zinc/97/30/92/924973092.db2.gz MTRGTIUARBIONN-UHFFFAOYSA-N 1 2 293.411 1.035 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnccc2C2CC2)CC1 ZINC001197850671 925235841 /nfs/dbraw/zinc/23/58/41/925235841.db2.gz LTEPNVGLWWFHGS-UHFFFAOYSA-N 1 2 271.364 1.903 20 30 CDEDLO C[C@H](C#N)N(C)C(=O)C[N@@H+]1CCc2sccc2C1 ZINC001142219142 936992104 /nfs/dbraw/zinc/99/21/04/936992104.db2.gz BDIKIKQFXUSZLG-SNVBAGLBSA-N 1 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WVHAWIDHZKZXHP-MRXNPFEDSA-N 1 2 285.347 1.354 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001108198218 925776481 /nfs/dbraw/zinc/77/64/81/925776481.db2.gz WWJKZMLFYSKGJN-IIAWOOMASA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001108198218 925776487 /nfs/dbraw/zinc/77/64/87/925776487.db2.gz WWJKZMLFYSKGJN-IIAWOOMASA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(CC)[nH]n1 ZINC001085492751 926066253 /nfs/dbraw/zinc/06/62/53/926066253.db2.gz DIERWGHFMKIEBD-GFCCVEGCSA-N 1 2 262.357 1.304 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(CC)[nH]n1 ZINC001085492751 926066262 /nfs/dbraw/zinc/06/62/62/926066262.db2.gz DIERWGHFMKIEBD-GFCCVEGCSA-N 1 2 262.357 1.304 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1oc(C)cc1C ZINC001085526265 926114682 /nfs/dbraw/zinc/11/46/82/926114682.db2.gz XQOSCNIUMRSJIA-ZDUSSCGKSA-N 1 2 260.337 1.676 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1oc(C)cc1C ZINC001085526265 926114687 /nfs/dbraw/zinc/11/46/87/926114687.db2.gz XQOSCNIUMRSJIA-ZDUSSCGKSA-N 1 2 260.337 1.676 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1[nH]cnc1C(C)(C)C ZINC001085606820 926204318 /nfs/dbraw/zinc/20/43/18/926204318.db2.gz ZBLQZONNNVIIOF-GFCCVEGCSA-N 1 2 288.395 1.487 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1[nH]cnc1C(C)(C)C ZINC001085606820 926204324 /nfs/dbraw/zinc/20/43/24/926204324.db2.gz ZBLQZONNNVIIOF-GFCCVEGCSA-N 1 2 288.395 1.487 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(CC)ccn1 ZINC001085614655 926217067 /nfs/dbraw/zinc/21/70/67/926217067.db2.gz SMZPYLYLNVYSKN-OAHLLOKOSA-N 1 2 285.391 1.814 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(CC)ccn1 ZINC001085614655 926217074 /nfs/dbraw/zinc/21/70/74/926217074.db2.gz SMZPYLYLNVYSKN-OAHLLOKOSA-N 1 2 285.391 1.814 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C2CC2)nn1C ZINC001085621771 926221461 /nfs/dbraw/zinc/22/14/61/926221461.db2.gz ZRVBZPZJGBIVBF-ZDUSSCGKSA-N 1 2 286.379 1.077 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C2CC2)nn1C ZINC001085621771 926221469 /nfs/dbraw/zinc/22/14/69/926221469.db2.gz ZRVBZPZJGBIVBF-ZDUSSCGKSA-N 1 2 286.379 1.077 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1conc1C(C)C ZINC001085636484 926235681 /nfs/dbraw/zinc/23/56/81/926235681.db2.gz RTORSJDHWLEWPW-ZDUSSCGKSA-N 1 2 289.379 1.968 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1conc1C(C)C ZINC001085636484 926235689 /nfs/dbraw/zinc/23/56/89/926235689.db2.gz RTORSJDHWLEWPW-ZDUSSCGKSA-N 1 2 289.379 1.968 20 30 CDEDLO C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc2n[nH]cc21 ZINC001085755973 926361836 /nfs/dbraw/zinc/36/18/36/926361836.db2.gz WLOBTTFUSAEXJL-ZDUSSCGKSA-N 1 2 296.374 1.733 20 30 CDEDLO C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc2n[nH]cc21 ZINC001085755973 926361846 /nfs/dbraw/zinc/36/18/46/926361846.db2.gz WLOBTTFUSAEXJL-ZDUSSCGKSA-N 1 2 296.374 1.733 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn(CC)n1 ZINC001085855149 926458858 /nfs/dbraw/zinc/45/88/58/926458858.db2.gz QSLFRNSQQPMNSQ-ZDUSSCGKSA-N 1 2 274.368 1.073 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn(CC)n1 ZINC001085855149 926458862 /nfs/dbraw/zinc/45/88/62/926458862.db2.gz QSLFRNSQQPMNSQ-ZDUSSCGKSA-N 1 2 274.368 1.073 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2ccn(C)c2c1 ZINC001085906510 926492717 /nfs/dbraw/zinc/49/27/17/926492717.db2.gz KEHJNDJCQQRXPR-MRXNPFEDSA-N 1 2 295.386 1.958 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2ccn(C)c2c1 ZINC001085906510 926492721 /nfs/dbraw/zinc/49/27/21/926492721.db2.gz KEHJNDJCQQRXPR-MRXNPFEDSA-N 1 2 295.386 1.958 20 30 CDEDLO COC(=O)[C@H]1C[N@H+](Cc2c[nH]c3cc(C#N)ccc23)CCO1 ZINC001142912126 937092783 /nfs/dbraw/zinc/09/27/83/937092783.db2.gz VOMWBVBRXCFFAN-OAHLLOKOSA-N 1 2 299.330 1.413 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)CCO1 ZINC001142912126 937092785 /nfs/dbraw/zinc/09/27/85/937092785.db2.gz VOMWBVBRXCFFAN-OAHLLOKOSA-N 1 2 299.330 1.413 20 30 CDEDLO CC[C@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1cc[nH+]c(C)n1 ZINC001103039303 937116156 /nfs/dbraw/zinc/11/61/56/937116156.db2.gz GSPKAZGOKIEUNJ-GFCCVEGCSA-N 1 2 298.350 1.605 20 30 CDEDLO C#CCCCC(=O)NC[C@H](CC)Nc1cc[nH+]c(C)n1 ZINC001103072628 937120336 /nfs/dbraw/zinc/12/03/36/937120336.db2.gz ZJBUOVNUQADQDI-ZDUSSCGKSA-N 1 2 274.368 1.895 20 30 CDEDLO CC[C@H](CNC(=O)Cn1cc[nH+]c1)Nc1ccc(C#N)nc1 ZINC001103118240 937123431 /nfs/dbraw/zinc/12/34/31/937123431.db2.gz UNSMETQEEHXJRW-GFCCVEGCSA-N 1 2 298.350 1.157 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)CCCOC)C1 ZINC001108327951 927394916 /nfs/dbraw/zinc/39/49/16/927394916.db2.gz XJYPZWMHUZWPNZ-GDBMZVCRSA-N 1 2 298.427 1.442 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)CCCOC)C1 ZINC001108327951 927394926 /nfs/dbraw/zinc/39/49/26/927394926.db2.gz XJYPZWMHUZWPNZ-GDBMZVCRSA-N 1 2 298.427 1.442 20 30 CDEDLO Cc1nc(NC[C@@H](C)CNC(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001103954367 937181024 /nfs/dbraw/zinc/18/10/24/937181024.db2.gz FTLLVIAIBPBRMC-SNVBAGLBSA-N 1 2 298.350 1.463 20 30 CDEDLO Cc1nc(NC[C@H](C)CNC(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001103924534 937177022 /nfs/dbraw/zinc/17/70/22/937177022.db2.gz NBTMTIWLXSBQFX-JTQLQIEISA-N 1 2 298.350 1.463 20 30 CDEDLO C[C@H](CNC(=O)Cn1cc[nH+]c1)CNc1ccc(C#N)nc1 ZINC001104002154 937184536 /nfs/dbraw/zinc/18/45/36/937184536.db2.gz LUKXEFHMKKOONA-LBPRGKRZSA-N 1 2 298.350 1.014 20 30 CDEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)CC(C)C)CC2=O)C1 ZINC001108499479 928139837 /nfs/dbraw/zinc/13/98/37/928139837.db2.gz FOADGWFOPGRXCL-ZDUSSCGKSA-N 1 2 293.411 1.010 20 30 CDEDLO Cc1nc(NC2(CNC(=O)[C@@H](C)C#N)CCC2)cc[nH+]1 ZINC001111773258 937229996 /nfs/dbraw/zinc/22/99/96/937229996.db2.gz OYEKZPYQABFDAZ-JTQLQIEISA-N 1 2 273.340 1.396 20 30 CDEDLO C[N@@H+]1CCOC[C@@H]1CNc1cnc2c(C#N)c[nH]c2c1 ZINC001169658105 928296783 /nfs/dbraw/zinc/29/67/83/928296783.db2.gz VUURCNNCXUWHGQ-LBPRGKRZSA-N 1 2 271.324 1.177 20 30 CDEDLO C[N@H+]1CCOC[C@@H]1CNc1cnc2c(C#N)c[nH]c2c1 ZINC001169658105 928296798 /nfs/dbraw/zinc/29/67/98/928296798.db2.gz VUURCNNCXUWHGQ-LBPRGKRZSA-N 1 2 271.324 1.177 20 30 CDEDLO C[N@@H+]1CCOC[C@@H]1CNc1c[nH]c2c(C#N)cnc-2c1 ZINC001169658105 928296814 /nfs/dbraw/zinc/29/68/14/928296814.db2.gz VUURCNNCXUWHGQ-LBPRGKRZSA-N 1 2 271.324 1.177 20 30 CDEDLO C[N@H+]1CCOC[C@@H]1CNc1c[nH]c2c(C#N)cnc-2c1 ZINC001169658105 928296833 /nfs/dbraw/zinc/29/68/33/928296833.db2.gz VUURCNNCXUWHGQ-LBPRGKRZSA-N 1 2 271.324 1.177 20 30 CDEDLO C#CC[C@H]([NH2+][C@H]1CCCN(C(=O)OCC)CC1)C(=O)OC ZINC001169662309 928310033 /nfs/dbraw/zinc/31/00/33/928310033.db2.gz QHLCCUSQUYCWEL-STQMWFEESA-N 1 2 296.367 1.152 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CC)C2 ZINC001108944008 928737891 /nfs/dbraw/zinc/73/78/91/928737891.db2.gz IQFVOHFUZSIWFB-CRWXNKLISA-N 1 2 293.411 1.056 20 30 CDEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CC)C2 ZINC001108944008 928737898 /nfs/dbraw/zinc/73/78/98/928737898.db2.gz IQFVOHFUZSIWFB-CRWXNKLISA-N 1 2 293.411 1.056 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncs1 ZINC001109088338 928786122 /nfs/dbraw/zinc/78/61/22/928786122.db2.gz MGZWKBYKALVVMX-AAXDQBDMSA-N 1 2 290.392 1.524 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncs1 ZINC001109088338 928786125 /nfs/dbraw/zinc/78/61/25/928786125.db2.gz MGZWKBYKALVVMX-AAXDQBDMSA-N 1 2 290.392 1.524 20 30 CDEDLO CC(C)C#CC(=O)N1CC[NH+](CCOCCC(C)C)CC1 ZINC001112829407 929476700 /nfs/dbraw/zinc/47/67/00/929476700.db2.gz DPGRWECVDLDYEY-UHFFFAOYSA-N 1 2 294.439 1.853 20 30 CDEDLO C=C(C)CCC(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001112901633 929552774 /nfs/dbraw/zinc/55/27/74/929552774.db2.gz XTSRJVPUHMIDLO-UHFFFAOYSA-N 1 2 276.384 1.421 20 30 CDEDLO CC[N@H+](Cc1snnc1C)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152414313 937360421 /nfs/dbraw/zinc/36/04/21/937360421.db2.gz ZULZRPPDGSMQPG-VHSXEESVSA-N 1 2 295.412 1.333 20 30 CDEDLO CC[N@@H+](Cc1snnc1C)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152414313 937360422 /nfs/dbraw/zinc/36/04/22/937360422.db2.gz ZULZRPPDGSMQPG-VHSXEESVSA-N 1 2 295.412 1.333 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1cn(-c2ccccc2)nn1 ZINC001116396735 937445830 /nfs/dbraw/zinc/44/58/30/937445830.db2.gz NTLBRJIDJMYGKB-UHFFFAOYSA-N 1 2 270.336 1.349 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1cn(-c2ccccc2)nn1 ZINC001116396735 937445831 /nfs/dbraw/zinc/44/58/31/937445831.db2.gz NTLBRJIDJMYGKB-UHFFFAOYSA-N 1 2 270.336 1.349 20 30 CDEDLO N#CCC[NH+]1CCC2(C[C@H]2C(=O)NCC(F)(F)F)CC1 ZINC001274031034 931130073 /nfs/dbraw/zinc/13/00/73/931130073.db2.gz FTXNDPYUJVLTBQ-JTQLQIEISA-N 1 2 289.301 1.681 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N1CCC(CC#N)CC1 ZINC001116956702 937482792 /nfs/dbraw/zinc/48/27/92/937482792.db2.gz JOJFAZBKAWGBRV-UHFFFAOYSA-N 1 2 260.341 1.505 20 30 CDEDLO N#CCCCN1CC[C@@]2(CCN(c3cccc[nH+]3)C2)C1=O ZINC001274740543 931564256 /nfs/dbraw/zinc/56/42/56/931564256.db2.gz XHEKJSANBPQZIT-INIZCTEOSA-N 1 2 284.363 1.814 20 30 CDEDLO C#CC(=O)NCc1c[nH+]cn1Cc1ccccc1OC ZINC001143912861 931586937 /nfs/dbraw/zinc/58/69/37/931586937.db2.gz LGPLSBXBKYAASM-UHFFFAOYSA-N 1 2 269.304 1.189 20 30 CDEDLO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC001144169617 931688906 /nfs/dbraw/zinc/68/89/06/931688906.db2.gz OSGTYZJORYOJRW-ZDUSSCGKSA-N 1 2 258.325 1.054 20 30 CDEDLO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC001144169617 931688907 /nfs/dbraw/zinc/68/89/07/931688907.db2.gz OSGTYZJORYOJRW-ZDUSSCGKSA-N 1 2 258.325 1.054 20 30 CDEDLO NC(=O)c1ccc(C(=[NH2+])Nc2cnc3nccnc3c2)cc1 ZINC001171257073 932162934 /nfs/dbraw/zinc/16/29/34/932162934.db2.gz WTJYEEIFOPLSRP-UHFFFAOYSA-N 1 2 292.302 1.161 20 30 CDEDLO N#Cc1ccc(F)c(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC001146981234 932369939 /nfs/dbraw/zinc/36/99/39/932369939.db2.gz DUITUXLFULCBER-UHFFFAOYSA-N 1 2 258.256 1.393 20 30 CDEDLO COc1cccc2[nH+]c(N[C@@H]3C(=O)N(O)C[C@@H]3C)ccc21 ZINC001171363629 932869037 /nfs/dbraw/zinc/86/90/37/932869037.db2.gz JBCOWQFMIQQWLA-XPTSAGLGSA-N 1 2 287.319 1.891 20 30 CDEDLO CC(C)(C)[NH+]1CC(NS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC001258178223 934553900 /nfs/dbraw/zinc/55/39/00/934553900.db2.gz AGVYEPFWGNCXPD-UHFFFAOYSA-N 1 2 293.392 1.319 20 30 CDEDLO CCOC[C@@H]1C[N@H+](C[C@@H](O)c2cccc(C#N)c2)CCO1 ZINC001413039496 935192776 /nfs/dbraw/zinc/19/27/76/935192776.db2.gz AXVHUXRJNRQRAY-JKSUJKDBSA-N 1 2 290.363 1.329 20 30 CDEDLO CCOC[C@@H]1C[N@@H+](C[C@@H](O)c2cccc(C#N)c2)CCO1 ZINC001413039496 935192779 /nfs/dbraw/zinc/19/27/79/935192779.db2.gz AXVHUXRJNRQRAY-JKSUJKDBSA-N 1 2 290.363 1.329 20 30 CDEDLO Cc1ncncc1C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001238170211 945114578 /nfs/dbraw/zinc/11/45/78/945114578.db2.gz ZJKRTBIBFYTKQK-LBPRGKRZSA-N 1 2 261.350 1.559 20 30 CDEDLO Cc1ncncc1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001238170211 945114584 /nfs/dbraw/zinc/11/45/84/945114584.db2.gz ZJKRTBIBFYTKQK-LBPRGKRZSA-N 1 2 261.350 1.559 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001044195983 935853795 /nfs/dbraw/zinc/85/37/95/935853795.db2.gz KQLHHKSUUYNAOU-UHFFFAOYSA-N 1 2 287.407 1.993 20 30 CDEDLO Cc1cc(N[C@H]2C[C@@H](NC(=O)[C@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001097164227 936276079 /nfs/dbraw/zinc/27/60/79/936276079.db2.gz FNGZHBWGWAYUPE-WQAKAFBOSA-N 1 2 299.378 1.881 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C3CC=CC3)n2CC)CC1 ZINC001121856293 937885478 /nfs/dbraw/zinc/88/54/78/937885478.db2.gz VPYWKYHGDMCVOT-UHFFFAOYSA-N 1 2 285.395 1.487 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122319051 937921018 /nfs/dbraw/zinc/92/10/18/937921018.db2.gz ZFANWVYPXMIDIQ-LBPRGKRZSA-N 1 2 292.383 1.276 20 30 CDEDLO N#C[C@@H]1C[C@H](F)CN1C(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156972116 938440424 /nfs/dbraw/zinc/44/04/24/938440424.db2.gz VAENPOMXWFODPD-IUCAKERBSA-N 1 2 273.271 1.221 20 30 CDEDLO CC[C@H](CC#N)NC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156979277 938442738 /nfs/dbraw/zinc/44/27/38/938442738.db2.gz KVCXFESAWMVHDU-SECBINFHSA-N 1 2 257.297 1.567 20 30 CDEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCC[C@@H](n4ccnn4)C3)c12 ZINC001157796396 938547468 /nfs/dbraw/zinc/54/74/68/938547468.db2.gz ADSVLEMFFQHOAP-GFCCVEGCSA-N 1 2 293.334 1.868 20 30 CDEDLO C=C(C)CCC(=O)NCCC[NH2+][C@H](C)c1noc(C)n1 ZINC001159032870 938694097 /nfs/dbraw/zinc/69/40/97/938694097.db2.gz YJBFPQTVJISGGA-LLVKDONJSA-N 1 2 280.372 1.891 20 30 CDEDLO C#CCOCCOCCNc1cc(CC#N)cc[nH+]1 ZINC001160673314 938812056 /nfs/dbraw/zinc/81/20/56/938812056.db2.gz HUIMQZAXZDHDHP-UHFFFAOYSA-N 1 2 259.309 1.226 20 30 CDEDLO COC(=O)[C@@H]1C[C@H]1CNc1[nH+]cc(C)cc1/C=N/O ZINC001161044835 938864225 /nfs/dbraw/zinc/86/42/25/938864225.db2.gz WVESYQWLFNCRRN-MPZQLARYSA-N 1 2 263.297 1.419 20 30 CDEDLO Cc1nc(NC2CN(c3cccc[nH+]3)C2)cnc1C#N ZINC001161322268 938888772 /nfs/dbraw/zinc/88/87/72/938888772.db2.gz CJYPEOQRDRGRMU-UHFFFAOYSA-N 1 2 266.308 1.352 20 30 CDEDLO CCOC(=O)[C@H]([NH3+])CNc1nc2c(cc1C#N)CCCC2 ZINC001161950646 938947288 /nfs/dbraw/zinc/94/72/88/938947288.db2.gz XQCPCGXZTSYJOG-GFCCVEGCSA-N 1 2 288.351 1.134 20 30 CDEDLO N#Cc1c[nH]c2cc[nH+]c(N3C[C@H](F)C[C@H](CO)C3)c12 ZINC001164041596 939394108 /nfs/dbraw/zinc/39/41/08/939394108.db2.gz BTCGIVIIYIBTKM-GXSJLCMTSA-N 1 2 274.299 1.591 20 30 CDEDLO N#CC1(c2cc[nH+]c(NCCCc3c[nH][nH]c3=O)c2)CC1 ZINC001164373962 939467576 /nfs/dbraw/zinc/46/75/76/939467576.db2.gz FWWPMYRYNGPXME-NSHDSACASA-N 1 2 283.335 1.561 20 30 CDEDLO Cc1ccc(C#N)c(N2CC[NH2+]CC(F)(F)C2)n1 ZINC001164488261 939478202 /nfs/dbraw/zinc/47/82/02/939478202.db2.gz BINFEUSUPZJHDV-UHFFFAOYSA-N 1 2 252.268 1.307 20 30 CDEDLO N#Cc1cc(Cl)nc(N2CC[NH2+]CC(F)(F)C2)c1 ZINC001164488771 939478368 /nfs/dbraw/zinc/47/83/68/939478368.db2.gz KQGYJXUWDNPJGM-UHFFFAOYSA-N 1 2 272.686 1.652 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1c1cc(Cl)nc2c1CCC2 ZINC001164640678 939500698 /nfs/dbraw/zinc/50/06/98/939500698.db2.gz DERVIEDTXCQKCX-SECBINFHSA-N 1 2 262.744 1.525 20 30 CDEDLO COc1cc(N2CC[NH2+]C[C@H]2C#N)nc2ccccc21 ZINC001164651394 939501695 /nfs/dbraw/zinc/50/16/95/939501695.db2.gz FQTQSJZZGSKMLV-LLVKDONJSA-N 1 2 268.320 1.545 20 30 CDEDLO CCOC(=O)[C@H]1CN(c2ccc(CC#N)c(C)[nH+]2)CCO1 ZINC001166828469 939642151 /nfs/dbraw/zinc/64/21/51/939642151.db2.gz UEUJJFQOSUDTBZ-CYBMUJFWSA-N 1 2 289.335 1.224 20 30 CDEDLO N#Cc1cccc(N2CC[NH+](Cc3cnoc3)CC2)c1 ZINC001205724451 939926792 /nfs/dbraw/zinc/92/67/92/939926792.db2.gz POWWPUKNOSIJLS-UHFFFAOYSA-N 1 2 268.320 1.868 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2nonc2C)C[C@H]1C ZINC001206490270 940048574 /nfs/dbraw/zinc/04/85/74/940048574.db2.gz JQKNGDGJZZSUMP-ZYHUDNBSSA-N 1 2 278.356 1.281 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2nonc2C)C[C@H]1C ZINC001206490270 940048576 /nfs/dbraw/zinc/04/85/76/940048576.db2.gz JQKNGDGJZZSUMP-ZYHUDNBSSA-N 1 2 278.356 1.281 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)cn2)C[C@H]1C ZINC001206640156 940074781 /nfs/dbraw/zinc/07/47/81/940074781.db2.gz FBTBZKRTZODLPP-JTNHKYCSSA-N 1 2 290.342 1.317 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)cn2)C[C@H]1C ZINC001206640156 940074783 /nfs/dbraw/zinc/07/47/83/940074783.db2.gz FBTBZKRTZODLPP-JTNHKYCSSA-N 1 2 290.342 1.317 20 30 CDEDLO C=CCN(CC[N@@H+](C)CC(=O)NC)C(=O)OC(C)(C)C ZINC001207198946 940166136 /nfs/dbraw/zinc/16/61/36/940166136.db2.gz KHNXDPSNVOCVJJ-UHFFFAOYSA-N 1 2 285.388 1.087 20 30 CDEDLO C=CCN(CC[N@H+](C)CC(=O)NC)C(=O)OC(C)(C)C ZINC001207198946 940166137 /nfs/dbraw/zinc/16/61/37/940166137.db2.gz KHNXDPSNVOCVJJ-UHFFFAOYSA-N 1 2 285.388 1.087 20 30 CDEDLO C=CCCC(=O)N1CCC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001207635938 940224453 /nfs/dbraw/zinc/22/44/53/940224453.db2.gz ONOHHSUMWVWUNN-GFCCVEGCSA-N 1 2 278.356 1.425 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](OC)C(C)C)C1 ZINC001208500233 940336170 /nfs/dbraw/zinc/33/61/70/940336170.db2.gz KJBUZKUJDBEPIQ-RAIGVLPGSA-N 1 2 288.819 1.846 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](OC)C(C)C)C1 ZINC001208500233 940336173 /nfs/dbraw/zinc/33/61/73/940336173.db2.gz KJBUZKUJDBEPIQ-RAIGVLPGSA-N 1 2 288.819 1.846 20 30 CDEDLO CC[N@H+](CCC#N)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC001208967713 940414680 /nfs/dbraw/zinc/41/46/80/940414680.db2.gz FGYBTAUDONNSKK-CYBMUJFWSA-N 1 2 297.399 1.858 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC001208967713 940414683 /nfs/dbraw/zinc/41/46/83/940414683.db2.gz FGYBTAUDONNSKK-CYBMUJFWSA-N 1 2 297.399 1.858 20 30 CDEDLO CC(C)(C)OC(=O)N1CC[C@H]1C[N@@H+]1CC[C@H](C#N)C1 ZINC001208998145 940420721 /nfs/dbraw/zinc/42/07/21/940420721.db2.gz ITFINVXDUDERAH-NEPJUHHUSA-N 1 2 265.357 1.841 20 30 CDEDLO CC(C)(C)OC(=O)N1CC[C@H]1C[N@H+]1CC[C@H](C#N)C1 ZINC001208998145 940420722 /nfs/dbraw/zinc/42/07/22/940420722.db2.gz ITFINVXDUDERAH-NEPJUHHUSA-N 1 2 265.357 1.841 20 30 CDEDLO C[NH+]1CCN(c2cc(C#N)sc2[N+](=O)[O-])CC1 ZINC000407103908 941211127 /nfs/dbraw/zinc/21/11/27/941211127.db2.gz VDESFPHRNKWQQV-UHFFFAOYSA-N 1 2 252.299 1.280 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CC[N@H+](CC(=C)Cl)C[C@H]21 ZINC001221516216 941540264 /nfs/dbraw/zinc/54/02/64/941540264.db2.gz HECWMFGKZSSAQH-UMVBOHGHSA-N 1 2 298.814 1.599 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CC[N@@H+](CC(=C)Cl)C[C@H]21 ZINC001221516216 941540267 /nfs/dbraw/zinc/54/02/67/941540267.db2.gz HECWMFGKZSSAQH-UMVBOHGHSA-N 1 2 298.814 1.599 20 30 CDEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001221533185 941540938 /nfs/dbraw/zinc/54/09/38/941540938.db2.gz BMYSEDPUDJSKQJ-CHWSQXEVSA-N 1 2 252.333 1.148 20 30 CDEDLO CC(C)C#CC(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001221533185 941540940 /nfs/dbraw/zinc/54/09/40/941540940.db2.gz BMYSEDPUDJSKQJ-CHWSQXEVSA-N 1 2 252.333 1.148 20 30 CDEDLO CCn1ccnc1C[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001226618122 942037073 /nfs/dbraw/zinc/03/70/73/942037073.db2.gz XDBUZPCLMFAFAB-LBPRGKRZSA-N 1 2 289.383 1.143 20 30 CDEDLO CC#CC[NH+]1CCC(NC(=O)C(F)C(F)(F)F)CC1 ZINC001227480732 942179877 /nfs/dbraw/zinc/17/98/77/942179877.db2.gz JZRYVWRBWPMHPT-JTQLQIEISA-N 1 2 280.265 1.491 20 30 CDEDLO CC#CC[NH+]1CCC(NC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001227480732 942179883 /nfs/dbraw/zinc/17/98/83/942179883.db2.gz JZRYVWRBWPMHPT-JTQLQIEISA-N 1 2 280.265 1.491 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2ccc(C#N)c(C#N)c2)C1 ZINC001228259665 942285569 /nfs/dbraw/zinc/28/55/69/942285569.db2.gz HVKSEECOCDCAJY-CQSZACIVSA-N 1 2 257.293 1.139 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2ccc(C#N)c(C#N)c2)C1 ZINC001228259665 942285570 /nfs/dbraw/zinc/28/55/70/942285570.db2.gz HVKSEECOCDCAJY-CQSZACIVSA-N 1 2 257.293 1.139 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccs1 ZINC001230646821 942666811 /nfs/dbraw/zinc/66/68/11/942666811.db2.gz XCMBSIGNNHZAGV-CYBMUJFWSA-N 1 2 292.404 1.544 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccs1 ZINC001230646821 942666816 /nfs/dbraw/zinc/66/68/16/942666816.db2.gz XCMBSIGNNHZAGV-CYBMUJFWSA-N 1 2 292.404 1.544 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@H]2CN(C)C(=O)[C@@H](C)C#N)sn1 ZINC001231292766 942845931 /nfs/dbraw/zinc/84/59/31/942845931.db2.gz FWKQFJAUPWLVIM-JQWIXIFHSA-N 1 2 292.408 1.644 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@H]2CN(C)C(=O)[C@@H](C)C#N)sn1 ZINC001231292766 942845941 /nfs/dbraw/zinc/84/59/41/942845941.db2.gz FWKQFJAUPWLVIM-JQWIXIFHSA-N 1 2 292.408 1.644 20 30 CDEDLO COC(=O)c1cc(C[NH+]2CC(CC#N)C2)ccc1O ZINC001231415838 942883309 /nfs/dbraw/zinc/88/33/09/942883309.db2.gz OLBFAXKBOMNFKR-UHFFFAOYSA-N 1 2 260.293 1.524 20 30 CDEDLO N#Cc1cccc(CCC[NH+]2CC3(C2)CC[C@H](C(N)=O)O3)c1 ZINC001277589010 943059536 /nfs/dbraw/zinc/05/95/36/943059536.db2.gz USQKFZVEMFOYCK-OAHLLOKOSA-N 1 2 299.374 1.210 20 30 CDEDLO CCNC(=O)C[N@H+](C)Cc1ccc(C#N)c(Cl)c1 ZINC001232111991 943141493 /nfs/dbraw/zinc/14/14/93/943141493.db2.gz NISCHSFCNYOXNX-UHFFFAOYSA-N 1 2 265.744 1.780 20 30 CDEDLO CCNC(=O)C[N@@H+](C)Cc1ccc(C#N)c(Cl)c1 ZINC001232111991 943141496 /nfs/dbraw/zinc/14/14/96/943141496.db2.gz NISCHSFCNYOXNX-UHFFFAOYSA-N 1 2 265.744 1.780 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccnc(Cl)c2C)CC1 ZINC001232757960 943377192 /nfs/dbraw/zinc/37/71/92/943377192.db2.gz RUJMFBHHGQWUIB-UHFFFAOYSA-N 1 2 263.772 1.794 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCCN(C(=O)C3CCC3)CC2)n1 ZINC001232924614 943435055 /nfs/dbraw/zinc/43/50/55/943435055.db2.gz OBHSFPGYGMQGPY-UHFFFAOYSA-N 1 2 298.390 1.788 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)n1 ZINC001232924614 943435058 /nfs/dbraw/zinc/43/50/58/943435058.db2.gz OBHSFPGYGMQGPY-UHFFFAOYSA-N 1 2 298.390 1.788 20 30 CDEDLO N#Cc1cc[nH]c1C[NH+]1CCC(N2CC(F)(F)C2)CC1 ZINC001233047362 943475186 /nfs/dbraw/zinc/47/51/86/943475186.db2.gz XMVKNONINZZEFS-UHFFFAOYSA-N 1 2 280.322 1.802 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cccc(OCOC)c2)CC1 ZINC001233282649 943530102 /nfs/dbraw/zinc/53/01/02/943530102.db2.gz ZMFCHIKPPORTTA-UHFFFAOYSA-N 1 2 274.364 1.420 20 30 CDEDLO CCOC(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1ccc(C#N)cc1O ZINC001233383919 943571425 /nfs/dbraw/zinc/57/14/25/943571425.db2.gz AKMGVNLZGHZFKM-CJNGLKHVSA-N 1 2 286.331 1.791 20 30 CDEDLO CCOC(=O)[C@]12C[C@H]1CC[N@H+]2Cc1ccc(C#N)cc1O ZINC001233383919 943571429 /nfs/dbraw/zinc/57/14/29/943571429.db2.gz AKMGVNLZGHZFKM-CJNGLKHVSA-N 1 2 286.331 1.791 20 30 CDEDLO Cc1ncc(C[N@H+]2CC[C@H]2CN(C)C(=O)C#CC(C)C)o1 ZINC001234163063 943761469 /nfs/dbraw/zinc/76/14/69/943761469.db2.gz XFOYUOCHMMSWSM-AWEZNQCLSA-N 1 2 289.379 1.675 20 30 CDEDLO Cc1ncc(C[N@@H+]2CC[C@H]2CN(C)C(=O)C#CC(C)C)o1 ZINC001234163063 943761475 /nfs/dbraw/zinc/76/14/75/943761475.db2.gz XFOYUOCHMMSWSM-AWEZNQCLSA-N 1 2 289.379 1.675 20 30 CDEDLO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001234510261 943873750 /nfs/dbraw/zinc/87/37/50/943873750.db2.gz WFXYADPHHJKYMN-GXTWGEPZSA-N 1 2 293.411 1.161 20 30 CDEDLO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001234510261 943873755 /nfs/dbraw/zinc/87/37/55/943873755.db2.gz WFXYADPHHJKYMN-GXTWGEPZSA-N 1 2 293.411 1.161 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NCC ZINC001234604684 943912603 /nfs/dbraw/zinc/91/26/03/943912603.db2.gz SYKQVPJNHJIKBX-CYBMUJFWSA-N 1 2 281.400 1.012 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NCC ZINC001234604684 943912610 /nfs/dbraw/zinc/91/26/10/943912610.db2.gz SYKQVPJNHJIKBX-CYBMUJFWSA-N 1 2 281.400 1.012 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)[C@@H](C)c1nnc(CC)[nH]1 ZINC001235451518 944160203 /nfs/dbraw/zinc/16/02/03/944160203.db2.gz LMACRZFITFKGDB-LBPRGKRZSA-N 1 2 293.415 1.832 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)[C@@H](C)c1nnc(CC)[nH]1 ZINC001235451518 944160211 /nfs/dbraw/zinc/16/02/11/944160211.db2.gz LMACRZFITFKGDB-LBPRGKRZSA-N 1 2 293.415 1.832 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)[C@H](C)c1nnc(C)[nH]1 ZINC001235451956 944160235 /nfs/dbraw/zinc/16/02/35/944160235.db2.gz RPSLVDOYHMBVBD-LLVKDONJSA-N 1 2 279.388 1.578 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)[C@H](C)c1nnc(C)[nH]1 ZINC001235451956 944160240 /nfs/dbraw/zinc/16/02/40/944160240.db2.gz RPSLVDOYHMBVBD-LLVKDONJSA-N 1 2 279.388 1.578 20 30 CDEDLO CC(=O)N1CC[NH+](Cc2cn(C)c3ccc(C#N)cc23)CC1 ZINC001237468784 944797789 /nfs/dbraw/zinc/79/77/89/944797789.db2.gz PRYSVFGQNAVKAH-UHFFFAOYSA-N 1 2 296.374 1.714 20 30 CDEDLO N#Cc1cc(-c2ccc(C[NH+]3CCOCC3)cn2)ccn1 ZINC001241177159 946182977 /nfs/dbraw/zinc/18/29/77/946182977.db2.gz LLWWMZXZZGPQHT-UHFFFAOYSA-N 1 2 280.331 1.847 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001262367967 946615934 /nfs/dbraw/zinc/61/59/34/946615934.db2.gz KWGOBGYYRDNUTH-OLZOCXBDSA-N 1 2 254.374 1.426 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001262367967 946615944 /nfs/dbraw/zinc/61/59/44/946615944.db2.gz KWGOBGYYRDNUTH-OLZOCXBDSA-N 1 2 254.374 1.426 20 30 CDEDLO C[C@@H]1CC(=O)C=C(c2cc(N3CC[NH+](C)CC3)ncn2)C1 ZINC001242738191 946864555 /nfs/dbraw/zinc/86/45/55/946864555.db2.gz WMNLAZTXGRALLB-LBPRGKRZSA-N 1 2 286.379 1.611 20 30 CDEDLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)N[C@H]1CC[C@H](C#N)C1 ZINC001254655962 947575319 /nfs/dbraw/zinc/57/53/19/947575319.db2.gz HAOBMGTUYKQLID-OBJOEFQTSA-N 1 2 290.367 1.176 20 30 CDEDLO C=C[C@H](COC)NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC001255018184 947693807 /nfs/dbraw/zinc/69/38/07/947693807.db2.gz CEYXOVMRDSIMSK-NWDGAFQWSA-N 1 2 278.356 1.120 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@H](OCC(=O)N(C)CC)C1 ZINC001255177817 947767731 /nfs/dbraw/zinc/76/77/31/947767731.db2.gz XCEJFKCOOOCEAH-KGLIPLIRSA-N 1 2 281.400 1.638 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CCC[C@H](OCC(=O)N(C)CC)C1 ZINC001255177817 947767737 /nfs/dbraw/zinc/76/77/37/947767737.db2.gz XCEJFKCOOOCEAH-KGLIPLIRSA-N 1 2 281.400 1.638 20 30 CDEDLO Cc1ncc(C[N@H+](C)Cc2cnn3ccc(C#N)cc23)cn1 ZINC001249119400 949396204 /nfs/dbraw/zinc/39/62/04/949396204.db2.gz VQPJKQFLOVIBSU-UHFFFAOYSA-N 1 2 292.346 1.936 20 30 CDEDLO Cc1ncc(C[N@@H+](C)Cc2cnn3ccc(C#N)cc23)cn1 ZINC001249119400 949396229 /nfs/dbraw/zinc/39/62/29/949396229.db2.gz VQPJKQFLOVIBSU-UHFFFAOYSA-N 1 2 292.346 1.936 20 30 CDEDLO C#CCOC[C@@H](O)CNc1cccc(-n2cc[nH+]c2)c1 ZINC001251860554 950879931 /nfs/dbraw/zinc/87/99/31/950879931.db2.gz NXIXXMWODHVCHR-HNNXBMFYSA-N 1 2 271.320 1.295 20 30 CDEDLO C=CCOC[C@@H](O)CNc1cc([C@@H](C)O)cc[nH+]1 ZINC001252459038 951304095 /nfs/dbraw/zinc/30/40/95/951304095.db2.gz UABTYJLMYXQWGU-PWSUYJOCSA-N 1 2 252.314 1.110 20 30 CDEDLO C=CCOC[C@@H](O)C[NH+]1CC(Oc2ccc(F)cc2)C1 ZINC001252470810 951320416 /nfs/dbraw/zinc/32/04/16/951320416.db2.gz QPHJZVYPPILBTM-ZDUSSCGKSA-N 1 2 281.327 1.452 20 30 CDEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1CC2(CC2)CC1=O ZINC001326023515 954188450 /nfs/dbraw/zinc/18/84/50/954188450.db2.gz LISAKJNYKQIHFN-UHFFFAOYSA-N 1 2 269.348 1.960 20 30 CDEDLO C[N@H+](Cc1cccc(C#N)c1)CN1CC2(CC2)CC1=O ZINC001326023515 954188454 /nfs/dbraw/zinc/18/84/54/954188454.db2.gz LISAKJNYKQIHFN-UHFFFAOYSA-N 1 2 269.348 1.960 20 30 CDEDLO N#Cc1cccc([C@@H](O)C[N@@H+]2CCC[C@]23CCOC3=O)c1 ZINC001363225566 971995946 /nfs/dbraw/zinc/99/59/46/971995946.db2.gz SKGYJMOVPGPCKP-GOEBONIOSA-N 1 2 286.331 1.373 20 30 CDEDLO N#Cc1cccc([C@@H](O)C[N@H+]2CCC[C@]23CCOC3=O)c1 ZINC001363225566 971995952 /nfs/dbraw/zinc/99/59/52/971995952.db2.gz SKGYJMOVPGPCKP-GOEBONIOSA-N 1 2 286.331 1.373 20 30 CDEDLO C[C@@H]1CC[N@H+](C[C@H](O)c2cccc(C#N)c2)CC[S@@]1=O ZINC001364391897 954546613 /nfs/dbraw/zinc/54/66/13/954546613.db2.gz XLEFSYGSUKUHSH-RAJNIJHNSA-N 1 2 292.404 1.435 20 30 CDEDLO C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc(C#N)c2)CC[S@@]1=O ZINC001364391897 954546629 /nfs/dbraw/zinc/54/66/29/954546629.db2.gz XLEFSYGSUKUHSH-RAJNIJHNSA-N 1 2 292.404 1.435 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H](CC#N)C1 ZINC001329194923 955748419 /nfs/dbraw/zinc/74/84/19/955748419.db2.gz JBERSQPETAUQTI-NEPJUHHUSA-N 1 2 260.341 1.741 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](CC#N)C1 ZINC001329194923 955748431 /nfs/dbraw/zinc/74/84/31/955748431.db2.gz JBERSQPETAUQTI-NEPJUHHUSA-N 1 2 260.341 1.741 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cccc2n[nH]nc21 ZINC001492260894 955765128 /nfs/dbraw/zinc/76/51/28/955765128.db2.gz DMEWKXGAVZNVFL-UHFFFAOYSA-N 1 2 293.758 1.372 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cccc2n[nH]nc21 ZINC001492260894 955765142 /nfs/dbraw/zinc/76/51/42/955765142.db2.gz DMEWKXGAVZNVFL-UHFFFAOYSA-N 1 2 293.758 1.372 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)Cc2ccoc2)C1 ZINC001494546891 972252678 /nfs/dbraw/zinc/25/26/78/972252678.db2.gz VNZMJWNDHVJJGC-UHFFFAOYSA-N 1 2 268.744 1.623 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CCc2nnc[nH]2)C1 ZINC001494811764 972315067 /nfs/dbraw/zinc/31/50/67/972315067.db2.gz BUZSSPWDTNLRNG-LLVKDONJSA-N 1 2 297.790 1.023 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CCc2nnc[nH]2)C1 ZINC001494811764 972315069 /nfs/dbraw/zinc/31/50/69/972315069.db2.gz BUZSSPWDTNLRNG-LLVKDONJSA-N 1 2 297.790 1.023 20 30 CDEDLO C=CC[C@H]([NH2+]C1CCN(C(C)=O)CC1)C(=O)OCC ZINC001321965454 960036708 /nfs/dbraw/zinc/03/67/08/960036708.db2.gz BPZFWTODVNZQHQ-ZDUSSCGKSA-N 1 2 268.357 1.095 20 30 CDEDLO CC[C@H](F)C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001419029128 961280816 /nfs/dbraw/zinc/28/08/16/961280816.db2.gz ODARZUYCQVXZKE-HNNXBMFYSA-N 1 2 289.354 1.854 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001434797310 961927390 /nfs/dbraw/zinc/92/73/90/961927390.db2.gz QZBJTHIOZBLEOQ-NSHDSACASA-N 1 2 275.356 1.389 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCc1cn(C)nc1C ZINC001420307293 962714270 /nfs/dbraw/zinc/71/42/70/962714270.db2.gz JYXQSUPKIMKCLG-UHFFFAOYSA-N 1 2 298.818 1.462 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCc1cn(C)nc1C ZINC001420307293 962714281 /nfs/dbraw/zinc/71/42/81/962714281.db2.gz JYXQSUPKIMKCLG-UHFFFAOYSA-N 1 2 298.818 1.462 20 30 CDEDLO CCOCC(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001437432906 962890114 /nfs/dbraw/zinc/89/01/14/962890114.db2.gz YNFUDMFCZIOHKH-UHFFFAOYSA-N 1 2 275.352 1.143 20 30 CDEDLO CCOCC(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001437432906 962890126 /nfs/dbraw/zinc/89/01/26/962890126.db2.gz YNFUDMFCZIOHKH-UHFFFAOYSA-N 1 2 275.352 1.143 20 30 CDEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)OC ZINC001340390432 962919834 /nfs/dbraw/zinc/91/98/34/962919834.db2.gz OZRCQOGKPTUMHH-LLVKDONJSA-N 1 2 265.361 1.619 20 30 CDEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)OC ZINC001340390432 962919842 /nfs/dbraw/zinc/91/98/42/962919842.db2.gz OZRCQOGKPTUMHH-LLVKDONJSA-N 1 2 265.361 1.619 20 30 CDEDLO C=C(Cl)CN(C)CCNC(=O)CCc1c[nH+]cn1C ZINC001437552222 963010672 /nfs/dbraw/zinc/01/06/72/963010672.db2.gz NAYATUCNLCISJX-UHFFFAOYSA-N 1 2 284.791 1.153 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(OC)ccn1 ZINC001420608265 963117493 /nfs/dbraw/zinc/11/74/93/963117493.db2.gz HWYITGVDFLBTOV-NSHDSACASA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc(OC)ccn1 ZINC001420608265 963117500 /nfs/dbraw/zinc/11/75/00/963117500.db2.gz HWYITGVDFLBTOV-NSHDSACASA-N 1 2 297.786 1.893 20 30 CDEDLO C=C[C@@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1ccccc1 ZINC001347022357 965336366 /nfs/dbraw/zinc/33/63/66/965336366.db2.gz YBOHRDMNPNKWTA-UKRRQHHQSA-N 1 2 267.332 1.894 20 30 CDEDLO CCOC(=O)N1CCC(C)(C=[NH+]n2nnc(C)c2C)CC1 ZINC001353080110 967677077 /nfs/dbraw/zinc/67/70/77/967677077.db2.gz XNDVDGUIVOQJGT-UHFFFAOYSA-N 1 2 293.371 1.987 20 30 CDEDLO C=C(C)C[NH2+]C1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001100348004 968082309 /nfs/dbraw/zinc/08/23/09/968082309.db2.gz RIIUMUDEQCCCDK-RTBKNWGFSA-N 1 2 282.281 1.947 20 30 CDEDLO C=C(C)C[NH2+]C1CC(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001100348004 968082318 /nfs/dbraw/zinc/08/23/18/968082318.db2.gz RIIUMUDEQCCCDK-RTBKNWGFSA-N 1 2 282.281 1.947 20 30 CDEDLO C=CC[NH2+]C[C@H]1CN(C(=O)C(F)C(F)(F)F)CCCO1 ZINC001200555196 968459392 /nfs/dbraw/zinc/45/93/92/968459392.db2.gz PCKRATMKXRQNEB-UWVGGRQHSA-N 1 2 298.280 1.280 20 30 CDEDLO C=CC[NH2+]C[C@H]1CN(C(=O)[C@H](F)C(F)(F)F)CCCO1 ZINC001200555196 968459397 /nfs/dbraw/zinc/45/93/97/968459397.db2.gz PCKRATMKXRQNEB-UWVGGRQHSA-N 1 2 298.280 1.280 20 30 CDEDLO Cn1cc(C[NH2+]Cc2nnc[nH]2)c(-c2ccc(C#N)cc2)n1 ZINC001461841077 969648830 /nfs/dbraw/zinc/64/88/30/969648830.db2.gz FEJMBNQCOATXRY-UHFFFAOYSA-N 1 2 293.334 1.367 20 30 CDEDLO C=CCN(C)c1nnc(Cc2[nH+]ccn2C)n1CC ZINC001520758101 970222304 /nfs/dbraw/zinc/22/23/04/970222304.db2.gz RMVIXWCUQXGTMJ-UHFFFAOYSA-N 1 2 260.345 1.245 20 30 CDEDLO C=C(CC)C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC001521569814 970319646 /nfs/dbraw/zinc/31/96/46/970319646.db2.gz WBYBZQLHXCSPGV-LBPRGKRZSA-N 1 2 277.368 1.124 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)Nc1cc(F)cc(C#N)c1 ZINC001471132149 970399280 /nfs/dbraw/zinc/39/92/80/970399280.db2.gz FIHJMESYMAQNJB-UHFFFAOYSA-N 1 2 258.256 1.910 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccncn1)C1CC1 ZINC001372880650 973184520 /nfs/dbraw/zinc/18/45/20/973184520.db2.gz ULAGUCGHBPDWIQ-UHFFFAOYSA-N 1 2 280.759 1.423 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccncn1)C1CC1 ZINC001372880650 973184528 /nfs/dbraw/zinc/18/45/28/973184528.db2.gz ULAGUCGHBPDWIQ-UHFFFAOYSA-N 1 2 280.759 1.423 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1ccc(F)cn1 ZINC001418551904 973961455 /nfs/dbraw/zinc/96/14/55/973961455.db2.gz SFVYJTPGNIJJMN-UHFFFAOYSA-N 1 2 299.777 1.954 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1ccc(F)cn1 ZINC001418551904 973961463 /nfs/dbraw/zinc/96/14/63/973961463.db2.gz SFVYJTPGNIJJMN-UHFFFAOYSA-N 1 2 299.777 1.954 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnc(C)nc1C ZINC001377234511 974938771 /nfs/dbraw/zinc/93/87/71/974938771.db2.gz IJECIWQMZIJJDF-UHFFFAOYSA-N 1 2 282.775 1.508 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnc(C)nc1C ZINC001377234511 974938774 /nfs/dbraw/zinc/93/87/74/974938774.db2.gz IJECIWQMZIJJDF-UHFFFAOYSA-N 1 2 282.775 1.508 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 ZINC001505893910 975026590 /nfs/dbraw/zinc/02/65/90/975026590.db2.gz HWMQKSVOHATYBA-SNVBAGLBSA-N 1 2 280.759 1.689 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 ZINC001505893910 975026600 /nfs/dbraw/zinc/02/66/00/975026600.db2.gz HWMQKSVOHATYBA-SNVBAGLBSA-N 1 2 280.759 1.689 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)COCC2CC2)C1 ZINC001506590312 975184655 /nfs/dbraw/zinc/18/46/55/975184655.db2.gz LLKYWCORALSOCV-LLVKDONJSA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](CC)NC(C)=O ZINC001379107236 975666208 /nfs/dbraw/zinc/66/62/08/975666208.db2.gz AXFMDSQRZYWMIS-LBPRGKRZSA-N 1 2 289.807 1.044 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](CC)NC(C)=O ZINC001379107236 975666215 /nfs/dbraw/zinc/66/62/15/975666215.db2.gz AXFMDSQRZYWMIS-LBPRGKRZSA-N 1 2 289.807 1.044 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cnc(C)n1C ZINC001406128020 976049475 /nfs/dbraw/zinc/04/94/75/976049475.db2.gz MBOOHYSQLGETMU-UHFFFAOYSA-N 1 2 284.791 1.485 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cnc(C)n1C ZINC001406128020 976049488 /nfs/dbraw/zinc/04/94/88/976049488.db2.gz MBOOHYSQLGETMU-UHFFFAOYSA-N 1 2 284.791 1.485 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)COCC2CC2)C1 ZINC001402159017 976153395 /nfs/dbraw/zinc/15/33/95/976153395.db2.gz VUOBMQNJRHJMBR-LBPRGKRZSA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)COCC2CC2)C1 ZINC001402159017 976153397 /nfs/dbraw/zinc/15/33/97/976153397.db2.gz VUOBMQNJRHJMBR-LBPRGKRZSA-N 1 2 272.776 1.356 20 30 CDEDLO C[N@H+](CCNC(=O)c1cnccn1)Cc1ccccc1C#N ZINC001390735850 976468123 /nfs/dbraw/zinc/46/81/23/976468123.db2.gz TXAOHDUVGHCZBS-UHFFFAOYSA-N 1 2 295.346 1.210 20 30 CDEDLO C[N@@H+](CCNC(=O)c1cnccn1)Cc1ccccc1C#N ZINC001390735850 976468127 /nfs/dbraw/zinc/46/81/27/976468127.db2.gz TXAOHDUVGHCZBS-UHFFFAOYSA-N 1 2 295.346 1.210 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cccc2ncnn21 ZINC001399501986 976532622 /nfs/dbraw/zinc/53/26/22/976532622.db2.gz KUJHDKMAPRIMIO-UHFFFAOYSA-N 1 2 293.758 1.143 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cccc2ncnn21 ZINC001399501986 976532632 /nfs/dbraw/zinc/53/26/32/976532632.db2.gz KUJHDKMAPRIMIO-UHFFFAOYSA-N 1 2 293.758 1.143 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ocnc1CC ZINC001399578510 976581947 /nfs/dbraw/zinc/58/19/47/976581947.db2.gz KZIOSJRNSNDGMW-UHFFFAOYSA-N 1 2 271.748 1.651 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ocnc1CC ZINC001399578510 976581956 /nfs/dbraw/zinc/58/19/56/976581956.db2.gz KZIOSJRNSNDGMW-UHFFFAOYSA-N 1 2 271.748 1.651 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)[C@@H](C)c1nnc(C)o1 ZINC001391124465 976705412 /nfs/dbraw/zinc/70/54/12/976705412.db2.gz WMLBMEKWFZNQAX-QWRGUYRKSA-N 1 2 293.371 1.427 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)[C@@H](C)c1nnc(C)o1 ZINC001391124465 976705423 /nfs/dbraw/zinc/70/54/23/976705423.db2.gz WMLBMEKWFZNQAX-QWRGUYRKSA-N 1 2 293.371 1.427 20 30 CDEDLO CC[C@H](F)C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001403644457 977120959 /nfs/dbraw/zinc/12/09/59/977120959.db2.gz UQJHNSKEMHLRTK-AWEZNQCLSA-N 1 2 277.343 1.854 20 30 CDEDLO CC[C@H](F)C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001403644457 977120968 /nfs/dbraw/zinc/12/09/68/977120968.db2.gz UQJHNSKEMHLRTK-AWEZNQCLSA-N 1 2 277.343 1.854 20 30 CDEDLO CC[N@H+](CCNC(=O)[C@@H](C)C#N)[C@@H](C)c1ncccn1 ZINC001403822678 977216597 /nfs/dbraw/zinc/21/65/97/977216597.db2.gz IWHUVRMLOCKCRT-RYUDHWBXSA-N 1 2 275.356 1.135 20 30 CDEDLO CC[N@@H+](CCNC(=O)[C@@H](C)C#N)[C@@H](C)c1ncccn1 ZINC001403822678 977216617 /nfs/dbraw/zinc/21/66/17/977216617.db2.gz IWHUVRMLOCKCRT-RYUDHWBXSA-N 1 2 275.356 1.135 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnc(C)[nH]1 ZINC001392647432 977526159 /nfs/dbraw/zinc/52/61/59/977526159.db2.gz ZROXARCVXNQNLR-SECBINFHSA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cnc(C)[nH]1 ZINC001392647432 977526165 /nfs/dbraw/zinc/52/61/65/977526165.db2.gz ZROXARCVXNQNLR-SECBINFHSA-N 1 2 270.764 1.521 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nc([C@H](C)OC)no1 ZINC001132402262 1163268434 /nfs/dbraw/zinc/26/84/34/1163268434.db2.gz NTUDNBRZBUBDFU-JTQLQIEISA-N 1 2 296.371 1.195 20 30 CDEDLO Cc1cc(C#N)cc(N2CC([NH+]3C[C@H](C)O[C@@H](C)C3)C2)n1 ZINC001158726666 1163493824 /nfs/dbraw/zinc/49/38/24/1163493824.db2.gz HQLWWURXGQSFKW-STQMWFEESA-N 1 2 286.379 1.560 20 30 CDEDLO C[C@H](C[C@H](C)[NH2+]Cc1c[nH]nn1)NC(=O)C#CC(C)(C)C ZINC001575508810 1171188601 /nfs/dbraw/zinc/18/86/01/1171188601.db2.gz GIEZSENZRLQRMW-NWDGAFQWSA-N 1 2 291.399 1.227 20 30 CDEDLO C[C@H](C[C@H](C)[NH2+]Cc1cn[nH]n1)NC(=O)C#CC(C)(C)C ZINC001575508810 1171188606 /nfs/dbraw/zinc/18/86/06/1171188606.db2.gz GIEZSENZRLQRMW-NWDGAFQWSA-N 1 2 291.399 1.227 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)c2ccccc2CC#N)CCO1 ZINC000601028799 342459843 /nfs/dbraw/zinc/45/98/43/342459843.db2.gz AUOCYLVVNYDCED-ZDUSSCGKSA-N 1 2 287.363 1.203 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccccc2CC#N)CCO1 ZINC000601028799 342459844 /nfs/dbraw/zinc/45/98/44/342459844.db2.gz AUOCYLVVNYDCED-ZDUSSCGKSA-N 1 2 287.363 1.203 20 30 CDEDLO C=CCCOCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000586817986 342471122 /nfs/dbraw/zinc/47/11/22/342471122.db2.gz DWTLXYMAZSUQKH-UHFFFAOYSA-N 1 2 263.341 1.639 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000589272617 342502940 /nfs/dbraw/zinc/50/29/40/342502940.db2.gz BXPZGOLJFBXOTC-IJLUTSLNSA-N 1 2 253.342 1.603 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000589272617 342502941 /nfs/dbraw/zinc/50/29/41/342502941.db2.gz BXPZGOLJFBXOTC-IJLUTSLNSA-N 1 2 253.342 1.603 20 30 CDEDLO N#Cc1c(NC(=O)CCc2[nH]cc[nH+]2)n[nH]c1C1CC1 ZINC000290536311 342535029 /nfs/dbraw/zinc/53/50/29/342535029.db2.gz OIZZHRNJKKTZEG-UHFFFAOYSA-N 1 2 270.296 1.453 20 30 CDEDLO Cc1nn2c(C[NH2+]CC3(C#N)CC3)c(C)nc2s1 ZINC000574981691 342560631 /nfs/dbraw/zinc/56/06/31/342560631.db2.gz VBSJOJYNWHGVKA-UHFFFAOYSA-N 1 2 261.354 1.801 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H](C)O1 ZINC000329687223 361763918 /nfs/dbraw/zinc/76/39/18/361763918.db2.gz FUOWFOQZQZHHBC-OUAUKWLOSA-N 1 2 278.356 1.290 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H](C)O1 ZINC000329687223 361763926 /nfs/dbraw/zinc/76/39/26/361763926.db2.gz FUOWFOQZQZHHBC-OUAUKWLOSA-N 1 2 278.356 1.290 20 30 CDEDLO Cc1c(Cl)cnc(NCC[NH+]2CCOCC2)c1C#N ZINC000273066507 192034706 /nfs/dbraw/zinc/03/47/06/192034706.db2.gz ULWGBWNOZVDOPI-UHFFFAOYSA-N 1 2 280.759 1.659 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000590740828 342586597 /nfs/dbraw/zinc/58/65/97/342586597.db2.gz VXYZMDFNEJGKCB-KGLIPLIRSA-N 1 2 260.337 1.989 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000590740828 342586598 /nfs/dbraw/zinc/58/65/98/342586598.db2.gz VXYZMDFNEJGKCB-KGLIPLIRSA-N 1 2 260.337 1.989 20 30 CDEDLO COC(=O)C[N@H+](Cc1ccc(OC)c(C#N)c1)C(C)C ZINC000087832710 361825025 /nfs/dbraw/zinc/82/50/25/361825025.db2.gz YGUZANGUBOSJAQ-UHFFFAOYSA-N 1 2 276.336 1.950 20 30 CDEDLO COC(=O)C[N@@H+](Cc1ccc(OC)c(C#N)c1)C(C)C ZINC000087832710 361825029 /nfs/dbraw/zinc/82/50/29/361825029.db2.gz YGUZANGUBOSJAQ-UHFFFAOYSA-N 1 2 276.336 1.950 20 30 CDEDLO NC(=[NH+]OCC(=O)N1CCCCC1)c1cccc(Cl)c1 ZINC000198442442 342624761 /nfs/dbraw/zinc/62/47/61/342624761.db2.gz RMRMUQCJBFHLLW-UHFFFAOYSA-N 1 2 295.770 1.989 20 30 CDEDLO C[C@H](C#N)CN(C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000045426290 342122605 /nfs/dbraw/zinc/12/26/05/342122605.db2.gz LAVBGYQKESHTLH-GFCCVEGCSA-N 1 2 285.351 1.678 20 30 CDEDLO N#CCCC[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000591555747 342635101 /nfs/dbraw/zinc/63/51/01/342635101.db2.gz QYWIHBHXXSIRGZ-UHFFFAOYSA-N 1 2 250.346 1.124 20 30 CDEDLO CC1(C)CC[N@H+](CC2(CC#N)CC2)CC[S@]1=O ZINC000321899061 342144279 /nfs/dbraw/zinc/14/42/79/342144279.db2.gz PWQMMSLFSNIMGU-QGZVFWFLSA-N 1 2 254.399 1.913 20 30 CDEDLO CC1(C)CC[N@@H+](CC2(CC#N)CC2)CC[S@]1=O ZINC000321899061 342144280 /nfs/dbraw/zinc/14/42/80/342144280.db2.gz PWQMMSLFSNIMGU-QGZVFWFLSA-N 1 2 254.399 1.913 20 30 CDEDLO Cc1cc(NCc2csc(N(C)C)n2)c(C#N)c[nH+]1 ZINC000591820952 342647510 /nfs/dbraw/zinc/64/75/10/342647510.db2.gz OCCUDJBWDRTLNH-UHFFFAOYSA-N 1 2 273.365 1.818 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000592144893 342673087 /nfs/dbraw/zinc/67/30/87/342673087.db2.gz KHAHDZAPQWOBKK-ZDUSSCGKSA-N 1 2 252.264 1.815 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000592144893 342673089 /nfs/dbraw/zinc/67/30/89/342673089.db2.gz KHAHDZAPQWOBKK-ZDUSSCGKSA-N 1 2 252.264 1.815 20 30 CDEDLO Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592146168 342673262 /nfs/dbraw/zinc/67/32/62/342673262.db2.gz FPLVEFLOAXILGT-INIZCTEOSA-N 1 2 287.363 1.592 20 30 CDEDLO Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592146168 342673263 /nfs/dbraw/zinc/67/32/63/342673263.db2.gz FPLVEFLOAXILGT-INIZCTEOSA-N 1 2 287.363 1.592 20 30 CDEDLO CC(C)(C)[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000592510603 342700144 /nfs/dbraw/zinc/70/01/44/342700144.db2.gz LFQULYKULLHGPT-AWEZNQCLSA-N 1 2 299.378 1.848 20 30 CDEDLO CC(C)(C)[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000592510603 342700145 /nfs/dbraw/zinc/70/01/45/342700145.db2.gz LFQULYKULLHGPT-AWEZNQCLSA-N 1 2 299.378 1.848 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000064443578 342165970 /nfs/dbraw/zinc/16/59/70/342165970.db2.gz ZGXQJMTZIWEPOM-UHFFFAOYSA-N 1 2 287.319 1.376 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H](C)O1 ZINC000593079712 342762966 /nfs/dbraw/zinc/76/29/66/342762966.db2.gz BKWBXCKYYYEQLH-FZMZJTMJSA-N 1 2 274.320 1.321 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H](C)O1 ZINC000593079712 342762967 /nfs/dbraw/zinc/76/29/67/342762967.db2.gz BKWBXCKYYYEQLH-FZMZJTMJSA-N 1 2 274.320 1.321 20 30 CDEDLO CC[C@@H](C#N)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000593397286 342795023 /nfs/dbraw/zinc/79/50/23/342795023.db2.gz ZEZUJFZOVWISHW-AWEZNQCLSA-N 1 2 272.352 1.276 20 30 CDEDLO Cn1cc(CC[N@H+](CCC#N)Cc2ccccn2)cn1 ZINC000081159543 342213988 /nfs/dbraw/zinc/21/39/88/342213988.db2.gz UHHRXDINSMWLJF-UHFFFAOYSA-N 1 2 269.352 1.773 20 30 CDEDLO Cn1cc(CC[N@@H+](CCC#N)Cc2ccccn2)cn1 ZINC000081159543 342213989 /nfs/dbraw/zinc/21/39/89/342213989.db2.gz UHHRXDINSMWLJF-UHFFFAOYSA-N 1 2 269.352 1.773 20 30 CDEDLO N#C[C@@H]1CCC[C@@H]1[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000330245459 539035201 /nfs/dbraw/zinc/03/52/01/539035201.db2.gz DTXPKDFTBGNPQT-SRVKXCTJSA-N 1 2 273.340 1.394 20 30 CDEDLO N#C[C@@H]1CCC[C@@H]1NC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330245459 539035202 /nfs/dbraw/zinc/03/52/02/539035202.db2.gz DTXPKDFTBGNPQT-SRVKXCTJSA-N 1 2 273.340 1.394 20 30 CDEDLO CC[C@]1(C)C[N@H+](CC(=O)NC2(C#N)CCC2)CCO1 ZINC000347185286 529406192 /nfs/dbraw/zinc/40/61/92/529406192.db2.gz MXFCVXWKQXGITQ-CYBMUJFWSA-N 1 2 265.357 1.050 20 30 CDEDLO CC[C@]1(C)C[N@@H+](CC(=O)NC2(C#N)CCC2)CCO1 ZINC000347185286 529406193 /nfs/dbraw/zinc/40/61/93/529406193.db2.gz MXFCVXWKQXGITQ-CYBMUJFWSA-N 1 2 265.357 1.050 20 30 CDEDLO CC[C@@H](C#N)N(C)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000594082822 342871085 /nfs/dbraw/zinc/87/10/85/342871085.db2.gz DRAUKDZNOWNWPH-NSHDSACASA-N 1 2 273.327 1.724 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@](F)(C#N)C1 ZINC000594343300 342891185 /nfs/dbraw/zinc/89/11/85/342891185.db2.gz NSTRPXCEOGSSSM-BXKDBHETSA-N 1 2 250.277 1.052 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@](F)(C#N)C1 ZINC000594343300 342891186 /nfs/dbraw/zinc/89/11/86/342891186.db2.gz NSTRPXCEOGSSSM-BXKDBHETSA-N 1 2 250.277 1.052 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)N3CC[C@@](F)(C#N)C3)cc2n1C ZINC000619445182 349717443 /nfs/dbraw/zinc/71/74/43/349717443.db2.gz GSGOYKCZJRRTLP-OAHLLOKOSA-N 1 2 286.310 1.960 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@H](C)CC1CCC1)C(=O)OC ZINC000619509444 349780830 /nfs/dbraw/zinc/78/08/30/349780830.db2.gz RUCJLCKWRDMYED-DGCLKSJQSA-N 1 2 255.358 1.899 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCn2c[nH+]cc2C1 ZINC000595494739 343076725 /nfs/dbraw/zinc/07/67/25/343076725.db2.gz MXLRSCMRCRUJHD-DOMZBBRYSA-N 1 2 289.383 1.142 20 30 CDEDLO N#Cc1cccc(NC(=O)CN2CCn3c[nH+]cc3C2)c1 ZINC000595495117 343076963 /nfs/dbraw/zinc/07/69/63/343076963.db2.gz OIKQMZFDFINCOM-UHFFFAOYSA-N 1 2 281.319 1.209 20 30 CDEDLO C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595617136 343110632 /nfs/dbraw/zinc/11/06/32/343110632.db2.gz VCIFWOPQYNWUDL-RYUDHWBXSA-N 1 2 273.340 1.429 20 30 CDEDLO C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595617136 343110634 /nfs/dbraw/zinc/11/06/34/343110634.db2.gz VCIFWOPQYNWUDL-RYUDHWBXSA-N 1 2 273.340 1.429 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNc1nc(C#N)c(Cl)s1 ZINC000596113187 343230884 /nfs/dbraw/zinc/23/08/84/343230884.db2.gz PPXSXNUJJGAATI-QMMMGPOBSA-N 1 2 286.788 1.223 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNc1nc(C#N)c(Cl)s1 ZINC000596113187 343230887 /nfs/dbraw/zinc/23/08/87/343230887.db2.gz PPXSXNUJJGAATI-QMMMGPOBSA-N 1 2 286.788 1.223 20 30 CDEDLO N#Cc1c(N)n[nH]c1CCCNc1cc[nH+]c2ccncc12 ZINC000085653111 342381926 /nfs/dbraw/zinc/38/19/26/342381926.db2.gz GGQGCCXQEXCHDU-UHFFFAOYSA-N 1 2 293.334 1.851 20 30 CDEDLO C[C@@H]1C[N@H+](CCNc2ncc(C#N)cc2F)[C@@H](C)CO1 ZINC000596427270 343311813 /nfs/dbraw/zinc/31/18/13/343311813.db2.gz DWVDCJHNRCQFOE-WDEREUQCSA-N 1 2 278.331 1.613 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNc2ncc(C#N)cc2F)[C@@H](C)CO1 ZINC000596427270 343311814 /nfs/dbraw/zinc/31/18/14/343311814.db2.gz DWVDCJHNRCQFOE-WDEREUQCSA-N 1 2 278.331 1.613 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC000093887940 342426999 /nfs/dbraw/zinc/42/69/99/342426999.db2.gz DGZMINRQAYPGEL-INIZCTEOSA-N 1 2 291.322 1.786 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC000093887940 342427000 /nfs/dbraw/zinc/42/70/00/342427000.db2.gz DGZMINRQAYPGEL-INIZCTEOSA-N 1 2 291.322 1.786 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000596823392 343399979 /nfs/dbraw/zinc/39/99/79/343399979.db2.gz ORNJHRCKCCNAMB-QJPTWQEYSA-N 1 2 260.341 1.532 20 30 CDEDLO COCC[N@@H+](CCC#N)CCOC[C@@H]1CCCO1 ZINC000072689138 349811675 /nfs/dbraw/zinc/81/16/75/349811675.db2.gz LZHRNSSRNINAPN-ZDUSSCGKSA-N 1 2 256.346 1.044 20 30 CDEDLO COCC[N@H+](CCC#N)CCOC[C@@H]1CCCO1 ZINC000072689138 349811678 /nfs/dbraw/zinc/81/16/78/349811678.db2.gz LZHRNSSRNINAPN-ZDUSSCGKSA-N 1 2 256.346 1.044 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CCC#N)CC1CC1 ZINC000597148542 343460610 /nfs/dbraw/zinc/46/06/10/343460610.db2.gz UCUCDNYXWNWPPG-CHWSQXEVSA-N 1 2 272.352 1.676 20 30 CDEDLO Cc1cc(=NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[nH]n1CCC#N ZINC000597460301 343546740 /nfs/dbraw/zinc/54/67/40/343546740.db2.gz PFKDCGLBUBZPBL-VXGBXAGGSA-N 1 2 298.350 1.003 20 30 CDEDLO C=CCCSCCNC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000597967872 343686700 /nfs/dbraw/zinc/68/67/00/343686700.db2.gz ALIOPBSOTGHEAC-GFCCVEGCSA-N 1 2 288.482 1.849 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+](CC)Cc1ccc2c(c1)OCO2 ZINC000619716547 349866660 /nfs/dbraw/zinc/86/66/60/349866660.db2.gz UDGUZJHXKJGLPS-LBPRGKRZSA-N 1 2 277.320 1.965 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+](CC)Cc1ccc2c(c1)OCO2 ZINC000619716547 349866663 /nfs/dbraw/zinc/86/66/63/349866663.db2.gz UDGUZJHXKJGLPS-LBPRGKRZSA-N 1 2 277.320 1.965 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000619716234 349866757 /nfs/dbraw/zinc/86/67/57/349866757.db2.gz BSAGKUKXOAAPRR-HNNXBMFYSA-N 1 2 274.364 1.926 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCCN(c2ccccc2)CC1 ZINC000619716234 349866761 /nfs/dbraw/zinc/86/67/61/349866761.db2.gz BSAGKUKXOAAPRR-HNNXBMFYSA-N 1 2 274.364 1.926 20 30 CDEDLO CCC(CC)([NH2+]C[C@@H](O)CC(C)(C)C#N)C(=O)OC ZINC000598611180 343841361 /nfs/dbraw/zinc/84/13/61/343841361.db2.gz GOOZYNBVIXHVQL-NSHDSACASA-N 1 2 270.373 1.609 20 30 CDEDLO CC(C)OC(=O)[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C(C)C ZINC000598621881 343846022 /nfs/dbraw/zinc/84/60/22/343846022.db2.gz YFOSLBWFVSBMOT-STQMWFEESA-N 1 2 284.400 1.853 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCc1cccnc1 ZINC000598837913 343914901 /nfs/dbraw/zinc/91/49/01/343914901.db2.gz ZZZXKFANEUTIPJ-OAHLLOKOSA-N 1 2 274.368 1.364 20 30 CDEDLO CN(CCC#N)C(=O)CC[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599648387 344102647 /nfs/dbraw/zinc/10/26/47/344102647.db2.gz GVRBLJVZUWJKTC-UHFFFAOYSA-N 1 2 297.399 1.458 20 30 CDEDLO C[C@H](C#N)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601851299 344271767 /nfs/dbraw/zinc/27/17/67/344271767.db2.gz KOPPRFVHMIGCMF-LLVKDONJSA-N 1 2 290.392 1.411 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1 ZINC000602165387 344365809 /nfs/dbraw/zinc/36/58/09/344365809.db2.gz FCUYKMFXUCYSLV-NWDGAFQWSA-N 1 2 296.330 2.000 20 30 CDEDLO CCS(=O)(=O)c1ccc(C[NH2+]CCC#N)cc1 ZINC000258984057 344423504 /nfs/dbraw/zinc/42/35/04/344423504.db2.gz WUAAAAAGDHYCCQ-UHFFFAOYSA-N 1 2 252.339 1.483 20 30 CDEDLO Cn1nc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c2ccccc21 ZINC000602331423 344402121 /nfs/dbraw/zinc/40/21/21/344402121.db2.gz DCQMPWIGILGQBV-OAHLLOKOSA-N 1 2 285.351 1.147 20 30 CDEDLO C[C@H](CCC#N)CNc1ccc(N2CCOCC2)c[nH+]1 ZINC000602523114 344453264 /nfs/dbraw/zinc/45/32/64/344453264.db2.gz YBMMJBJWSCSJED-CYBMUJFWSA-N 1 2 274.368 1.692 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cc(C(=O)OC)cs2)nn1 ZINC000602695410 344542864 /nfs/dbraw/zinc/54/28/64/344542864.db2.gz SVKLFUBTZXRFOG-UHFFFAOYSA-N 1 2 292.364 1.602 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCCCOC1CCCCC1 ZINC000602859818 344616221 /nfs/dbraw/zinc/61/62/21/344616221.db2.gz AWRPAKCKRBWUEY-CYBMUJFWSA-N 1 2 281.400 1.734 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C ZINC000602861284 344616603 /nfs/dbraw/zinc/61/66/03/344616603.db2.gz FVLUOYCZAMHYEH-UTUOFQBUSA-N 1 2 280.372 1.283 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)NCc1ccccc1F ZINC000602861289 344616614 /nfs/dbraw/zinc/61/66/14/344616614.db2.gz GUMUHEAQAWVRFU-GHMZBOCLSA-N 1 2 263.316 1.722 20 30 CDEDLO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@H](C)CC#N)c1 ZINC000602870425 344641128 /nfs/dbraw/zinc/64/11/28/344641128.db2.gz TUMAQTNQKYAIBP-LLVKDONJSA-N 1 2 289.335 1.612 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(C#N)cc2C)nn1 ZINC000603238784 344757559 /nfs/dbraw/zinc/75/75/59/344757559.db2.gz YAQNNIJFMMLDLC-UHFFFAOYSA-N 1 2 279.347 1.619 20 30 CDEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CC#N ZINC000274264667 345368350 /nfs/dbraw/zinc/36/83/50/345368350.db2.gz ZGMKOTXGVLZICB-UHFFFAOYSA-N 1 2 273.336 1.679 20 30 CDEDLO C=CCOCC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000617483039 345580077 /nfs/dbraw/zinc/58/00/77/345580077.db2.gz DVKQCBWFZOKFLR-UHFFFAOYSA-N 1 2 275.352 1.501 20 30 CDEDLO CS(=O)(=O)C1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000399137661 345762988 /nfs/dbraw/zinc/76/29/88/345762988.db2.gz RZHJLXWRMHTLJV-UHFFFAOYSA-N 1 2 292.404 1.762 20 30 CDEDLO N#CCC1(C[NH+]2CCN(CC(F)(F)F)CC2)CC1 ZINC000088259491 346035676 /nfs/dbraw/zinc/03/56/76/346035676.db2.gz XXBMHXVWGSVLGR-UHFFFAOYSA-N 1 2 261.291 1.860 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000610490337 346293715 /nfs/dbraw/zinc/29/37/15/346293715.db2.gz AEGIKILYADUVAL-LBPRGKRZSA-N 1 2 269.308 1.560 20 30 CDEDLO CC[N@H+](CCC#N)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610511717 346300874 /nfs/dbraw/zinc/30/08/74/346300874.db2.gz MQKUVYBRTOKPFV-OAHLLOKOSA-N 1 2 287.363 1.728 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610511717 346300879 /nfs/dbraw/zinc/30/08/79/346300879.db2.gz MQKUVYBRTOKPFV-OAHLLOKOSA-N 1 2 287.363 1.728 20 30 CDEDLO C[N@H+](CCOC(C)(C)C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000610859893 346467917 /nfs/dbraw/zinc/46/79/17/346467917.db2.gz SUXJAKYBUSIISI-AWEZNQCLSA-N 1 2 289.379 1.832 20 30 CDEDLO C[N@@H+](CCOC(C)(C)C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000610859893 346467921 /nfs/dbraw/zinc/46/79/21/346467921.db2.gz SUXJAKYBUSIISI-AWEZNQCLSA-N 1 2 289.379 1.832 20 30 CDEDLO N#CCCN1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000611174178 346627663 /nfs/dbraw/zinc/62/76/63/346627663.db2.gz APEJWTOQAUQFNJ-UHFFFAOYSA-N 1 2 270.336 1.859 20 30 CDEDLO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611176162 346632021 /nfs/dbraw/zinc/63/20/21/346632021.db2.gz UZHXGUOUFKSMJD-CYBMUJFWSA-N 1 2 280.416 1.211 20 30 CDEDLO Cc1cc(NC(=O)NC2CCN(CC#N)CC2)c(C)c[nH+]1 ZINC000611246541 346715764 /nfs/dbraw/zinc/71/57/64/346715764.db2.gz SYZRLXSCEQKDCG-UHFFFAOYSA-N 1 2 287.367 1.230 20 30 CDEDLO C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1cccc(C#N)c1 ZINC000611388551 346776286 /nfs/dbraw/zinc/77/62/86/346776286.db2.gz PPWGKYOMDIXIHB-SNVBAGLBSA-N 1 2 268.324 1.730 20 30 CDEDLO N#Cc1ccccc1N1CC[NH+](CC2(C#N)CC2)CC1 ZINC000611429344 346786999 /nfs/dbraw/zinc/78/69/99/346786999.db2.gz BLPIERSMILVJEX-UHFFFAOYSA-N 1 2 266.348 1.984 20 30 CDEDLO N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2CO)c(OC(F)F)c1 ZINC000352020033 362777077 /nfs/dbraw/zinc/77/70/77/362777077.db2.gz GOYLMMLSQBUQBZ-NWDGAFQWSA-N 1 2 298.289 1.087 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2CO)c(OC(F)F)c1 ZINC000352020033 362777081 /nfs/dbraw/zinc/77/70/81/362777081.db2.gz GOYLMMLSQBUQBZ-NWDGAFQWSA-N 1 2 298.289 1.087 20 30 CDEDLO C#CCNC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000060330634 347330247 /nfs/dbraw/zinc/33/02/47/347330247.db2.gz XXSZYHLDYYXJQA-UHFFFAOYSA-N 1 2 268.320 1.579 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCCO[C@H]1CCCCO1 ZINC000491299155 347580448 /nfs/dbraw/zinc/58/04/48/347580448.db2.gz YPUOWONFNBLOHE-KGLIPLIRSA-N 1 2 253.342 1.254 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCCO[C@H]1CCCCO1 ZINC000491299155 347580452 /nfs/dbraw/zinc/58/04/52/347580452.db2.gz YPUOWONFNBLOHE-KGLIPLIRSA-N 1 2 253.342 1.254 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cnc(CC)nc2)n1 ZINC000491640720 347585266 /nfs/dbraw/zinc/58/52/66/347585266.db2.gz ORYSLXHXQPLOEV-UHFFFAOYSA-N 1 2 283.379 1.891 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2cnc(CC)nc2)n1 ZINC000491640720 347585270 /nfs/dbraw/zinc/58/52/70/347585270.db2.gz ORYSLXHXQPLOEV-UHFFFAOYSA-N 1 2 283.379 1.891 20 30 CDEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Cc1noc(C)c1C#N ZINC000601603469 349978507 /nfs/dbraw/zinc/97/85/07/349978507.db2.gz BTRNHZYEJIULQQ-SECBINFHSA-N 1 2 287.323 1.491 20 30 CDEDLO C=C[C@H](C(=O)OC)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000619719499 348191506 /nfs/dbraw/zinc/19/15/06/348191506.db2.gz DHUVUZXNOLKXCF-OAHLLOKOSA-N 1 2 290.363 1.237 20 30 CDEDLO Cc1ccc([N+](=O)[O-])cc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414122117 362926889 /nfs/dbraw/zinc/92/68/89/362926889.db2.gz FVHLLZKDQWMTEB-ZDUSSCGKSA-N 1 2 293.323 1.488 20 30 CDEDLO Cc1ccc([N+](=O)[O-])cc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414122117 362926892 /nfs/dbraw/zinc/92/68/92/362926892.db2.gz FVHLLZKDQWMTEB-ZDUSSCGKSA-N 1 2 293.323 1.488 20 30 CDEDLO Cc1[nH][nH]c(=NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)c1C#N ZINC000601678117 349989013 /nfs/dbraw/zinc/98/90/13/349989013.db2.gz CBXPJEGOURZQII-CYBMUJFWSA-N 1 2 289.383 1.461 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000615741626 348656267 /nfs/dbraw/zinc/65/62/67/348656267.db2.gz CCXPLEWMEXTLFW-LBPRGKRZSA-N 1 2 296.330 1.964 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CC1CCCC1 ZINC000060633963 348894728 /nfs/dbraw/zinc/89/47/28/348894728.db2.gz PHQGITOYTDOONX-UHFFFAOYSA-N 1 2 293.411 1.641 20 30 CDEDLO N#Cc1cccc(C[NH+]2CCN(c3cccc(O)c3)CC2)n1 ZINC000602434855 350109659 /nfs/dbraw/zinc/10/96/59/350109659.db2.gz FQZUHBMVESVDNB-UHFFFAOYSA-N 1 2 294.358 1.981 20 30 CDEDLO N#Cc1cccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)n1 ZINC000602569942 350126734 /nfs/dbraw/zinc/12/67/34/350126734.db2.gz DFMFXDZAUXKJPY-CYBMUJFWSA-N 1 2 253.309 1.844 20 30 CDEDLO COC(=O)[C@@H](C)[N@H+](Cc1cccc(C#N)n1)C1CCC1 ZINC000602633364 350134135 /nfs/dbraw/zinc/13/41/35/350134135.db2.gz KOPHVMPJHFRKFW-LLVKDONJSA-N 1 2 273.336 1.869 20 30 CDEDLO COC(=O)[C@@H](C)[N@@H+](Cc1cccc(C#N)n1)C1CCC1 ZINC000602633364 350134137 /nfs/dbraw/zinc/13/41/37/350134137.db2.gz KOPHVMPJHFRKFW-LLVKDONJSA-N 1 2 273.336 1.869 20 30 CDEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000602868371 350158026 /nfs/dbraw/zinc/15/80/26/350158026.db2.gz XPEBHCNNFBHZSD-UHFFFAOYSA-N 1 2 296.378 1.303 20 30 CDEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC000602868371 350158028 /nfs/dbraw/zinc/15/80/28/350158028.db2.gz XPEBHCNNFBHZSD-UHFFFAOYSA-N 1 2 296.378 1.303 20 30 CDEDLO C=CCCn1cc(C(=O)N[C@H](C)c2[nH+]ccn2C)nn1 ZINC000620612274 350284491 /nfs/dbraw/zinc/28/44/91/350284491.db2.gz SXFYEARNRQHTSZ-SNVBAGLBSA-N 1 2 274.328 1.079 20 30 CDEDLO N#Cc1sc(NCCC[NH+]2CCOCC2)nc1Cl ZINC000236076086 362967539 /nfs/dbraw/zinc/96/75/39/362967539.db2.gz FGOXCMPHKJVTKQ-UHFFFAOYSA-N 1 2 286.788 1.802 20 30 CDEDLO C[C@H](C#N)CN(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000079769966 350967553 /nfs/dbraw/zinc/96/75/53/350967553.db2.gz PEPJYIUFKFXTRL-GFCCVEGCSA-N 1 2 263.345 1.464 20 30 CDEDLO CCO[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000115598250 350946433 /nfs/dbraw/zinc/94/64/33/350946433.db2.gz XLDQIBANXKJHHT-CABCVRRESA-N 1 2 287.363 1.586 20 30 CDEDLO CCO[C@@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000115598250 350946437 /nfs/dbraw/zinc/94/64/37/350946437.db2.gz XLDQIBANXKJHHT-CABCVRRESA-N 1 2 287.363 1.586 20 30 CDEDLO COC(=O)C1(O)CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000271441963 191139074 /nfs/dbraw/zinc/13/90/74/191139074.db2.gz RDDFZXJZHRLPHD-UHFFFAOYSA-N 1 2 291.322 1.177 20 30 CDEDLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000292093564 198159691 /nfs/dbraw/zinc/15/96/91/198159691.db2.gz FTENKTTXQPXPNJ-ZWNOBZJWSA-N 1 2 299.334 1.859 20 30 CDEDLO Cc1nnc([C@@H](C)[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000292093564 198159692 /nfs/dbraw/zinc/15/96/92/198159692.db2.gz FTENKTTXQPXPNJ-ZWNOBZJWSA-N 1 2 299.334 1.859 20 30 CDEDLO Cn1nccc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000155254963 188194581 /nfs/dbraw/zinc/19/45/81/188194581.db2.gz XIEFLJWFUPGGFH-KRWDZBQOSA-N 1 2 295.390 1.803 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000158895197 188398546 /nfs/dbraw/zinc/39/85/46/188398546.db2.gz KSWOEXQEENPSLH-UHFFFAOYSA-N 1 2 286.331 1.196 20 30 CDEDLO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000329442673 291002901 /nfs/dbraw/zinc/00/29/01/291002901.db2.gz AQYSJIAABGYXPV-MVWJERBFSA-N 1 2 286.397 1.003 20 30 CDEDLO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000329442673 291002905 /nfs/dbraw/zinc/00/29/05/291002905.db2.gz AQYSJIAABGYXPV-MVWJERBFSA-N 1 2 286.397 1.003 20 30 CDEDLO CC[C@@H](F)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000440712775 366095749 /nfs/dbraw/zinc/09/57/49/366095749.db2.gz MUSIJDJTMQVDCR-CYBMUJFWSA-N 1 2 262.332 1.823 20 30 CDEDLO N#CCCCCNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000352353280 363250045 /nfs/dbraw/zinc/25/00/45/363250045.db2.gz VJLAYILCNHNLSQ-UHFFFAOYSA-N 1 2 275.356 1.923 20 30 CDEDLO C[N@H+](CCOc1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000036869959 363284381 /nfs/dbraw/zinc/28/43/81/363284381.db2.gz CYLFHGRGPDYKPZ-CYBMUJFWSA-N 1 2 294.376 1.056 20 30 CDEDLO C[N@@H+](CCOc1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000036869959 363284385 /nfs/dbraw/zinc/28/43/85/363284385.db2.gz CYLFHGRGPDYKPZ-CYBMUJFWSA-N 1 2 294.376 1.056 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000336305593 363336398 /nfs/dbraw/zinc/33/63/98/363336398.db2.gz WWNYWUBMNOROSL-CHWSQXEVSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CCSCCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000271803809 191337451 /nfs/dbraw/zinc/33/74/51/191337451.db2.gz PSVIJTZNPLLKGZ-UHFFFAOYSA-N 1 2 268.386 1.481 20 30 CDEDLO N#Cc1cc(N2CCn3c[nH+]cc3C2)ccc1[N+](=O)[O-] ZINC000377330398 283108473 /nfs/dbraw/zinc/10/84/73/283108473.db2.gz MDGIRHAUKHGHFG-UHFFFAOYSA-N 1 2 269.264 1.683 20 30 CDEDLO N#Cc1cccc(C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000336292293 356127385 /nfs/dbraw/zinc/12/73/85/356127385.db2.gz KEJBZESABXWPRQ-UHFFFAOYSA-N 1 2 252.277 1.411 20 30 CDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cccc(F)c1C#N ZINC000286437645 356409786 /nfs/dbraw/zinc/40/97/86/356409786.db2.gz SIVGGNKBZOMQJC-QWHCGFSZSA-N 1 2 289.354 1.997 20 30 CDEDLO C[C@H](C(=O)N[C@H]1CCCNC1=O)[NH+]1CCSCC1 ZINC000328939342 538443574 /nfs/dbraw/zinc/44/35/74/538443574.db2.gz HCKRRHLUQJAQLY-ZJUUUORDSA-N 1 2 271.386 1.499 20 30 CDEDLO C[N@@H+]1CCc2ncnc(N[C@H]3CCC[C@H]3C#N)c2C1 ZINC000330054817 283181882 /nfs/dbraw/zinc/18/18/82/283181882.db2.gz SQBFHWRGCCNAHH-JQWIXIFHSA-N 1 2 257.341 1.569 20 30 CDEDLO C[N@H+]1CCc2ncnc(N[C@H]3CCC[C@H]3C#N)c2C1 ZINC000330054817 283181883 /nfs/dbraw/zinc/18/18/83/283181883.db2.gz SQBFHWRGCCNAHH-JQWIXIFHSA-N 1 2 257.341 1.569 20 30 CDEDLO N#Cc1ccc(CNC(=O)NCCn2cc[nH+]c2)cc1 ZINC000043311122 356608556 /nfs/dbraw/zinc/60/85/56/356608556.db2.gz VBQDCDGXCHHAJG-UHFFFAOYSA-N 1 2 269.308 1.254 20 30 CDEDLO CN(C(=O)Nc1ccn2cc[nH+]c2c1)[C@H]1CCN(C)C1=O ZINC000329520503 538579638 /nfs/dbraw/zinc/57/96/38/538579638.db2.gz OLHGPBQREZBGKT-NSHDSACASA-N 1 2 287.323 1.042 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccncc1C#N ZINC000344397541 356998949 /nfs/dbraw/zinc/99/89/49/356998949.db2.gz OCBCKCLVYBDDEB-UHFFFAOYSA-N 1 2 291.314 1.672 20 30 CDEDLO N#Cc1cc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c[nH]1 ZINC000181363772 357339298 /nfs/dbraw/zinc/33/92/98/357339298.db2.gz WQNWHZLWOCEHTF-GFCCVEGCSA-N 1 2 281.319 1.290 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1cccc(C#N)c1 ZINC000380204810 357366494 /nfs/dbraw/zinc/36/64/94/357366494.db2.gz JDDNYGGQMVNWPI-AATRIKPKSA-N 1 2 266.304 1.919 20 30 CDEDLO C[C@@H]1C[N@H+](CCSc2cc(C#N)ccn2)CCO1 ZINC000188298038 357875220 /nfs/dbraw/zinc/87/52/20/357875220.db2.gz ZWKVSRGXIQHCIR-LLVKDONJSA-N 1 2 263.366 1.766 20 30 CDEDLO C[C@@H]1C[N@@H+](CCSc2cc(C#N)ccn2)CCO1 ZINC000188298038 357875224 /nfs/dbraw/zinc/87/52/24/357875224.db2.gz ZWKVSRGXIQHCIR-LLVKDONJSA-N 1 2 263.366 1.766 20 30 CDEDLO C#CCO[C@@H](C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000294488639 199059400 /nfs/dbraw/zinc/05/94/00/199059400.db2.gz PKCUKJSSFQWZPH-AWEZNQCLSA-N 1 2 297.358 1.586 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCc1c[nH+]ccc1OC ZINC000294599230 199102110 /nfs/dbraw/zinc/10/21/10/199102110.db2.gz NDKPOXYQLOZESF-NSHDSACASA-N 1 2 264.325 1.688 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1ccsc1 ZINC000493467797 366389273 /nfs/dbraw/zinc/38/92/73/366389273.db2.gz UDAOWJQRYSMPPK-ZFDPJTLLSA-N 1 2 263.366 1.721 20 30 CDEDLO C[C@@H](CNc1ncc2c(c1C#N)CCC2)Cn1cc[nH+]c1 ZINC000584406714 366410533 /nfs/dbraw/zinc/41/05/33/366410533.db2.gz BGSUIHQOTJBQEW-LBPRGKRZSA-N 1 2 281.363 1.809 20 30 CDEDLO N#CCCN(Cc1ccccn1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493544860 366452094 /nfs/dbraw/zinc/45/20/94/366452094.db2.gz HZNCGRQSELQSEM-WAYWQWQTSA-N 1 2 281.319 1.760 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148898 358587456 /nfs/dbraw/zinc/58/74/56/358587456.db2.gz DZICFOLVEQNCTN-BLLLJJGKSA-N 1 2 298.346 1.236 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148898 358587458 /nfs/dbraw/zinc/58/74/58/358587458.db2.gz DZICFOLVEQNCTN-BLLLJJGKSA-N 1 2 298.346 1.236 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148901 358587665 /nfs/dbraw/zinc/58/76/65/358587665.db2.gz DZICFOLVEQNCTN-WBMJQRKESA-N 1 2 298.346 1.236 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148901 358587668 /nfs/dbraw/zinc/58/76/68/358587668.db2.gz DZICFOLVEQNCTN-WBMJQRKESA-N 1 2 298.346 1.236 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000337990525 358657210 /nfs/dbraw/zinc/65/72/10/358657210.db2.gz GVMKCVKGRHEDNP-CABCVRRESA-N 1 2 285.347 1.022 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000337990525 358657214 /nfs/dbraw/zinc/65/72/14/358657214.db2.gz GVMKCVKGRHEDNP-CABCVRRESA-N 1 2 285.347 1.022 20 30 CDEDLO C[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290402085 366490774 /nfs/dbraw/zinc/49/07/74/366490774.db2.gz SZJVSOQQPWTXRC-LLVKDONJSA-N 1 2 279.365 1.211 20 30 CDEDLO C[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290402085 366490777 /nfs/dbraw/zinc/49/07/77/366490777.db2.gz SZJVSOQQPWTXRC-LLVKDONJSA-N 1 2 279.365 1.211 20 30 CDEDLO C#CC[C@@H](CC(F)(F)F)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493754402 366492172 /nfs/dbraw/zinc/49/21/72/366492172.db2.gz YKBFJJDPVWAUTA-WBSSQXGSSA-N 1 2 271.242 1.883 20 30 CDEDLO C[C@H](C#N)OCC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000495589950 366529607 /nfs/dbraw/zinc/52/96/07/366529607.db2.gz QTKYUOAIDXQFNO-CHWSQXEVSA-N 1 2 297.399 1.856 20 30 CDEDLO C[C@H](C#N)OCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000495589950 366529616 /nfs/dbraw/zinc/52/96/16/366529616.db2.gz QTKYUOAIDXQFNO-CHWSQXEVSA-N 1 2 297.399 1.856 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000044809224 359107051 /nfs/dbraw/zinc/10/70/51/359107051.db2.gz HYDQCTVPCLIUEK-GXTWGEPZSA-N 1 2 257.337 1.661 20 30 CDEDLO C=CCOCCCC(=O)NCCNc1cccc[nH+]1 ZINC000266572362 359342694 /nfs/dbraw/zinc/34/26/94/359342694.db2.gz LGVAWROYQXYYFU-UHFFFAOYSA-N 1 2 263.341 1.593 20 30 CDEDLO C=CCCc1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000272351119 359453509 /nfs/dbraw/zinc/45/35/09/359453509.db2.gz AHUKQLYCPUPWSV-NSHDSACASA-N 1 2 251.330 1.970 20 30 CDEDLO C=CCCc1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000272351119 359453513 /nfs/dbraw/zinc/45/35/13/359453513.db2.gz AHUKQLYCPUPWSV-NSHDSACASA-N 1 2 251.330 1.970 20 30 CDEDLO CC#CC[N@H+]1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000274492855 359506205 /nfs/dbraw/zinc/50/62/05/359506205.db2.gz RETSCXYKALZFNP-UHFFFAOYSA-N 1 2 286.375 1.753 20 30 CDEDLO CC#CC[N@@H+]1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000274492855 359506214 /nfs/dbraw/zinc/50/62/14/359506214.db2.gz RETSCXYKALZFNP-UHFFFAOYSA-N 1 2 286.375 1.753 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000274009958 359486195 /nfs/dbraw/zinc/48/61/95/359486195.db2.gz OCSANUUOPKEMPM-SNVBAGLBSA-N 1 2 288.189 1.431 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000274009958 359486200 /nfs/dbraw/zinc/48/62/00/359486200.db2.gz OCSANUUOPKEMPM-SNVBAGLBSA-N 1 2 288.189 1.431 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1ccsc1C(=O)OC)C1CC1 ZINC000274197751 359490705 /nfs/dbraw/zinc/49/07/05/359490705.db2.gz QZHJXNVGHDKRLV-UHFFFAOYSA-N 1 2 292.360 1.571 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1ccsc1C(=O)OC)C1CC1 ZINC000274197751 359490711 /nfs/dbraw/zinc/49/07/11/359490711.db2.gz QZHJXNVGHDKRLV-UHFFFAOYSA-N 1 2 292.360 1.571 20 30 CDEDLO C#CCN(C)CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000276940913 359553684 /nfs/dbraw/zinc/55/36/84/359553684.db2.gz JYMJSWIOJHQREH-UHFFFAOYSA-N 1 2 292.408 1.242 20 30 CDEDLO N#Cc1cc(N2CCC[C@H]2Cn2cc[nH+]c2)ncn1 ZINC000571502269 359578988 /nfs/dbraw/zinc/57/89/88/359578988.db2.gz WJGILMWTVOSMAS-LBPRGKRZSA-N 1 2 254.297 1.214 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccnc(F)c2F)CC1 ZINC000279535568 359588351 /nfs/dbraw/zinc/58/83/51/359588351.db2.gz MVYKZWYSKBFKLY-UHFFFAOYSA-N 1 2 279.290 1.141 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000279824990 359596466 /nfs/dbraw/zinc/59/64/66/359596466.db2.gz QQZUMMQARKLPMO-AWEZNQCLSA-N 1 2 280.412 1.934 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000279824990 359596467 /nfs/dbraw/zinc/59/64/67/359596467.db2.gz QQZUMMQARKLPMO-AWEZNQCLSA-N 1 2 280.412 1.934 20 30 CDEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000408380628 359709676 /nfs/dbraw/zinc/70/96/76/359709676.db2.gz BIQJXFLLRXTETQ-HZSPNIEDSA-N 1 2 277.368 1.002 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2nc3ccccc3[nH]2)C1=O ZINC000337225528 360036134 /nfs/dbraw/zinc/03/61/34/360036134.db2.gz OJDPRCHECGWFNT-AWEZNQCLSA-N 1 2 284.363 1.782 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2nc3ccccc3[nH]2)C1=O ZINC000337225528 360036137 /nfs/dbraw/zinc/03/61/37/360036137.db2.gz OJDPRCHECGWFNT-AWEZNQCLSA-N 1 2 284.363 1.782 20 30 CDEDLO C[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000385864797 360443604 /nfs/dbraw/zinc/44/36/04/360443604.db2.gz IBSKMKXCBDSQEM-ONGXEEELSA-N 1 2 279.365 1.261 20 30 CDEDLO C[C@H]1[C@H](CO)CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000385864797 360443612 /nfs/dbraw/zinc/44/36/12/360443612.db2.gz IBSKMKXCBDSQEM-ONGXEEELSA-N 1 2 279.365 1.261 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000178424124 189115501 /nfs/dbraw/zinc/11/55/01/189115501.db2.gz OYUSXIPEMIVUKJ-LJQANCHMSA-N 1 2 280.393 1.158 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000178424124 189115502 /nfs/dbraw/zinc/11/55/02/189115502.db2.gz OYUSXIPEMIVUKJ-LJQANCHMSA-N 1 2 280.393 1.158 20 30 CDEDLO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NCCC#N ZINC000571040085 360875827 /nfs/dbraw/zinc/87/58/27/360875827.db2.gz RMOBDZCJSLFBLO-OAHLLOKOSA-N 1 2 272.396 1.700 20 30 CDEDLO C=C(C)C[N@@H+](C)Cc1nnnn1C1CCOCC1 ZINC000433264244 361225285 /nfs/dbraw/zinc/22/52/85/361225285.db2.gz ZFFXJFAACFVYJG-UHFFFAOYSA-N 1 2 251.334 1.033 20 30 CDEDLO C=C(C)C[N@H+](C)Cc1nnnn1C1CCOCC1 ZINC000433264244 361225292 /nfs/dbraw/zinc/22/52/92/361225292.db2.gz ZFFXJFAACFVYJG-UHFFFAOYSA-N 1 2 251.334 1.033 20 30 CDEDLO Cc1csc(=O)n1CC[N@@H+](C)CC(C)(C)C#N ZINC000433293498 361228781 /nfs/dbraw/zinc/22/87/81/361228781.db2.gz FLYDQBCPKGFZNR-UHFFFAOYSA-N 1 2 253.371 1.700 20 30 CDEDLO Cc1csc(=O)n1CC[N@H+](C)CC(C)(C)C#N ZINC000433293498 361228782 /nfs/dbraw/zinc/22/87/82/361228782.db2.gz FLYDQBCPKGFZNR-UHFFFAOYSA-N 1 2 253.371 1.700 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCCCS2)C1 ZINC000329313853 361476259 /nfs/dbraw/zinc/47/62/59/361476259.db2.gz AQBDUAOTGPPNIR-VXGBXAGGSA-N 1 2 287.429 1.106 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCCCS2)C1 ZINC000329313853 361476262 /nfs/dbraw/zinc/47/62/62/361476262.db2.gz AQBDUAOTGPPNIR-VXGBXAGGSA-N 1 2 287.429 1.106 20 30 CDEDLO C[C@](O)(CNC(=O)C1([NH+]2CCOCC2)CCC1)C1CC1 ZINC000329356711 361489436 /nfs/dbraw/zinc/48/94/36/361489436.db2.gz ZMRHYEKUIKWTDH-AWEZNQCLSA-N 1 2 282.384 1.359 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H](CO)O1 ZINC000192217709 361618112 /nfs/dbraw/zinc/61/81/12/361618112.db2.gz NNTJUWHGHXBKGQ-ZWNOBZJWSA-N 1 2 264.300 1.279 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H](CO)O1 ZINC000192217709 361618118 /nfs/dbraw/zinc/61/81/18/361618118.db2.gz NNTJUWHGHXBKGQ-ZWNOBZJWSA-N 1 2 264.300 1.279 20 30 CDEDLO N#CCN1CC[NH+](Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000437597829 361682713 /nfs/dbraw/zinc/68/27/13/361682713.db2.gz DPXCMUQADHSYRN-UHFFFAOYSA-N 1 2 272.327 1.948 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000437978553 361700364 /nfs/dbraw/zinc/70/03/64/361700364.db2.gz MWJLJDHXIHURAK-IMJJTQAJSA-N 1 2 299.374 1.258 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000437978553 361700365 /nfs/dbraw/zinc/70/03/65/361700365.db2.gz MWJLJDHXIHURAK-IMJJTQAJSA-N 1 2 299.374 1.258 20 30 CDEDLO CNc1ccc(C#N)cc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000582303687 364084715 /nfs/dbraw/zinc/08/47/15/364084715.db2.gz IWYPZHANCKSODW-GFCCVEGCSA-N 1 2 295.346 1.998 20 30 CDEDLO C#CCN(CC#CC)Cc1[nH+]ccc(OC)c1OC ZINC000490742294 364280151 /nfs/dbraw/zinc/28/01/51/364280151.db2.gz WMBLJLCROAGVMU-UHFFFAOYSA-N 1 2 258.321 1.557 20 30 CDEDLO C[C@H]1C[C@@H](NC(=O)CNc2cccc(C#N)c2)c2[nH+]ccn21 ZINC000456435135 364369805 /nfs/dbraw/zinc/36/98/05/364369805.db2.gz VJFVOLNHDFELTB-SMDDNHRTSA-N 1 2 295.346 1.989 20 30 CDEDLO CCN1CCC[N@H+](Cc2ccc(C#N)c(OC)c2)CC1=O ZINC000367037347 364620064 /nfs/dbraw/zinc/62/00/64/364620064.db2.gz SFIRJTQRQUNDGD-UHFFFAOYSA-N 1 2 287.363 1.621 20 30 CDEDLO CCN1CCC[N@@H+](Cc2ccc(C#N)c(OC)c2)CC1=O ZINC000367037347 364620071 /nfs/dbraw/zinc/62/00/71/364620071.db2.gz SFIRJTQRQUNDGD-UHFFFAOYSA-N 1 2 287.363 1.621 20 30 CDEDLO Cc1sc(NC(=O)C[N@H+]2C[C@@H](O)C[C@@H]2C)c(C#N)c1C ZINC000340927695 364689265 /nfs/dbraw/zinc/68/92/65/364689265.db2.gz PQGPUDFNQRZFNM-KWQFWETISA-N 1 2 293.392 1.630 20 30 CDEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2C)c(C#N)c1C ZINC000340927695 364689268 /nfs/dbraw/zinc/68/92/68/364689268.db2.gz PQGPUDFNQRZFNM-KWQFWETISA-N 1 2 293.392 1.630 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCOCCCC)nn1 ZINC000640944022 364766689 /nfs/dbraw/zinc/76/66/89/364766689.db2.gz XURJFWXJHCHJHZ-UHFFFAOYSA-N 1 2 250.346 1.208 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2cn3ccccc3c2C#N)[C@@H](C(N)=O)C1 ZINC000249565300 364888793 /nfs/dbraw/zinc/88/87/93/364888793.db2.gz MVOMTRHDPSUGST-BLLLJJGKSA-N 1 2 296.374 1.897 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)[C@@H](C(N)=O)C1 ZINC000249565300 364888797 /nfs/dbraw/zinc/88/87/97/364888797.db2.gz MVOMTRHDPSUGST-BLLLJJGKSA-N 1 2 296.374 1.897 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000353275622 365105396 /nfs/dbraw/zinc/10/53/96/365105396.db2.gz SHHDZZJKMYKAAS-CQSZACIVSA-N 1 2 293.411 1.495 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000353275622 365105405 /nfs/dbraw/zinc/10/54/05/365105405.db2.gz SHHDZZJKMYKAAS-CQSZACIVSA-N 1 2 293.411 1.495 20 30 CDEDLO CC#CCNCc1cn(Cc2cc(OC)cc(C)[nH+]2)nn1 ZINC000641155199 365124452 /nfs/dbraw/zinc/12/44/52/365124452.db2.gz QSAZIPKPICLIPF-UHFFFAOYSA-N 1 2 285.351 1.151 20 30 CDEDLO N#CCC[NH2+]Cc1ccncc1OC[C@@H]1CCOC1 ZINC000563010543 365283471 /nfs/dbraw/zinc/28/34/71/365283471.db2.gz ILHZIJAHLVGUNH-GFCCVEGCSA-N 1 2 261.325 1.500 20 30 CDEDLO CC[C@@H]1C[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C[C@@H]1O ZINC000270906129 366943119 /nfs/dbraw/zinc/94/31/19/366943119.db2.gz NHHDNMUGPSULKA-VHDGCEQUSA-N 1 2 288.347 1.475 20 30 CDEDLO CC[C@@H]1C[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C[C@@H]1O ZINC000270906129 366943121 /nfs/dbraw/zinc/94/31/21/366943121.db2.gz NHHDNMUGPSULKA-VHDGCEQUSA-N 1 2 288.347 1.475 20 30 CDEDLO CC[C@@H]1C[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C[C@@H]1O ZINC000270906125 366943244 /nfs/dbraw/zinc/94/32/44/366943244.db2.gz NHHDNMUGPSULKA-SNPRPXQTSA-N 1 2 288.347 1.475 20 30 CDEDLO CC[C@@H]1C[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C[C@@H]1O ZINC000270906125 366943247 /nfs/dbraw/zinc/94/32/47/366943247.db2.gz NHHDNMUGPSULKA-SNPRPXQTSA-N 1 2 288.347 1.475 20 30 CDEDLO Cc1ccc(C#N)c(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)n1 ZINC000161208212 367599904 /nfs/dbraw/zinc/59/99/04/367599904.db2.gz ODDZFUKAKFDMKQ-QWHCGFSZSA-N 1 2 274.368 1.783 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000072906792 369148187 /nfs/dbraw/zinc/14/81/87/369148187.db2.gz YAFJGMBXSSYQKM-SFHVURJKSA-N 1 2 280.371 1.822 20 30 CDEDLO CC(C)CCO[C@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000574329466 335011075 /nfs/dbraw/zinc/01/10/75/335011075.db2.gz IBTXYKIDSDBFBF-TZMCWYRMSA-N 1 2 269.389 1.398 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCc1[nH]c[nH+]c1C ZINC000276129899 193220811 /nfs/dbraw/zinc/22/08/11/193220811.db2.gz CECKWAIVXUWIPJ-ZDUSSCGKSA-N 1 2 251.330 1.563 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCOc1ccccc1 ZINC000565296883 370411480 /nfs/dbraw/zinc/41/14/80/370411480.db2.gz SRSKMERRXLXPPH-INIZCTEOSA-N 1 2 289.379 1.806 20 30 CDEDLO Cc1ccn2cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nc2c1 ZINC000567995600 371193987 /nfs/dbraw/zinc/19/39/87/371193987.db2.gz POGHDWYHWPWVII-HNNXBMFYSA-N 1 2 285.351 1.216 20 30 CDEDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000331823349 204205389 /nfs/dbraw/zinc/20/53/89/204205389.db2.gz WETAVUUXIRYBSR-QMTHXVAHSA-N 1 2 299.334 1.270 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc2nsnc2c1 ZINC000573123861 371431235 /nfs/dbraw/zinc/43/12/35/371431235.db2.gz PIMLAFMWGYZZBP-CYBMUJFWSA-N 1 2 289.364 1.265 20 30 CDEDLO CC[N@H+](CCOc1ccc(C#N)cc1)CC(=O)OC ZINC000049947916 372054627 /nfs/dbraw/zinc/05/46/27/372054627.db2.gz GCTXNSKSUOYJAX-UHFFFAOYSA-N 1 2 262.309 1.432 20 30 CDEDLO CC[N@@H+](CCOc1ccc(C#N)cc1)CC(=O)OC ZINC000049947916 372054634 /nfs/dbraw/zinc/05/46/34/372054634.db2.gz GCTXNSKSUOYJAX-UHFFFAOYSA-N 1 2 262.309 1.432 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CCCSC1 ZINC000577956367 372185150 /nfs/dbraw/zinc/18/51/50/372185150.db2.gz ZIZDBQUNLVYPMV-PWSUYJOCSA-N 1 2 255.387 1.090 20 30 CDEDLO CCC#C[C@@H](C)[NH+]1CCN(CC(=O)NCCCC)CC1 ZINC000639901806 372329779 /nfs/dbraw/zinc/32/97/79/372329779.db2.gz GNFJQNHDXKCMBC-OAHLLOKOSA-N 1 2 279.428 1.322 20 30 CDEDLO C[C@@H](C#N)CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000182397739 372600819 /nfs/dbraw/zinc/60/08/19/372600819.db2.gz VTJYHUIJSWDTSI-NSHDSACASA-N 1 2 271.324 1.336 20 30 CDEDLO C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1cccc(F)c1 ZINC000579599009 372602214 /nfs/dbraw/zinc/60/22/14/372602214.db2.gz DLORLVCDECDASF-XHDPSFHLSA-N 1 2 277.343 1.889 20 30 CDEDLO C=CCC[C@@H]1NC(=O)N([C@@H]2C[C@@H](C)n3cc[nH+]c32)C1=O ZINC000581002179 372781631 /nfs/dbraw/zinc/78/16/31/372781631.db2.gz RQVHSQJLTSINHG-OUAUKWLOSA-N 1 2 274.324 1.776 20 30 CDEDLO Cc1noc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)n1 ZINC000348097588 372996238 /nfs/dbraw/zinc/99/62/38/372996238.db2.gz WQXNBFKMRRSEEV-SECBINFHSA-N 1 2 285.307 1.539 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)COc1ccccc1C#N ZINC000348337849 373104591 /nfs/dbraw/zinc/10/45/91/373104591.db2.gz QADFZDBUGQLRGM-UHFFFAOYSA-N 1 2 297.314 1.657 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)c1nccc(C#N)c1[N+](=O)[O-] ZINC000348368684 373119809 /nfs/dbraw/zinc/11/98/09/373119809.db2.gz UGGFPKYTEGHWIT-UHFFFAOYSA-N 1 2 258.241 1.221 20 30 CDEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3C(N)=O)o2)cc1 ZINC000075618286 374193301 /nfs/dbraw/zinc/19/33/01/374193301.db2.gz PTMBQDSSQFAEBL-GFCCVEGCSA-N 1 2 297.318 1.058 20 30 CDEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3C(N)=O)o2)cc1 ZINC000075618286 374193305 /nfs/dbraw/zinc/19/33/05/374193305.db2.gz PTMBQDSSQFAEBL-GFCCVEGCSA-N 1 2 297.318 1.058 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292854743 374318277 /nfs/dbraw/zinc/31/82/77/374318277.db2.gz UOQYAJPQIJTMEP-SNVBAGLBSA-N 1 2 299.421 1.085 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292854743 374318283 /nfs/dbraw/zinc/31/82/83/374318283.db2.gz UOQYAJPQIJTMEP-SNVBAGLBSA-N 1 2 299.421 1.085 20 30 CDEDLO N#Cc1csc(C[NH2+]Cc2ccnc3ccnn32)n1 ZINC000352810402 374358753 /nfs/dbraw/zinc/35/87/53/374358753.db2.gz NCUWDVIELPOEQP-UHFFFAOYSA-N 1 2 270.321 1.347 20 30 CDEDLO CCOC(=O)[C@@H](F)C1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000293832947 374890225 /nfs/dbraw/zinc/89/02/25/374890225.db2.gz GQARHNYIIPEZMK-AWEZNQCLSA-N 1 2 276.311 1.891 20 30 CDEDLO CSC[C@H](O)C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000331150641 374895462 /nfs/dbraw/zinc/89/54/62/374895462.db2.gz IHWJLIYZNZBRBM-CABCVRRESA-N 1 2 292.404 1.655 20 30 CDEDLO CSC[C@H](O)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000331150641 374895470 /nfs/dbraw/zinc/89/54/70/374895470.db2.gz IHWJLIYZNZBRBM-CABCVRRESA-N 1 2 292.404 1.655 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)C[C@@H](C2CC2)O1 ZINC000279455437 374905662 /nfs/dbraw/zinc/90/56/62/374905662.db2.gz ZTQIRMWKRMMKHE-LRDDRELGSA-N 1 2 299.374 1.996 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)C[C@@H](C2CC2)O1 ZINC000279455437 374905672 /nfs/dbraw/zinc/90/56/72/374905672.db2.gz ZTQIRMWKRMMKHE-LRDDRELGSA-N 1 2 299.374 1.996 20 30 CDEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000282044722 375061431 /nfs/dbraw/zinc/06/14/31/375061431.db2.gz GENQSYFDKFNELU-RISCZKNCSA-N 1 2 278.377 1.738 20 30 CDEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000282044722 375061443 /nfs/dbraw/zinc/06/14/43/375061443.db2.gz GENQSYFDKFNELU-RISCZKNCSA-N 1 2 278.377 1.738 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1c[nH]c(C#N)c1)CCC2 ZINC000335315341 375135776 /nfs/dbraw/zinc/13/57/76/375135776.db2.gz PSNGYVKGWDZFCY-NSHDSACASA-N 1 2 283.335 1.699 20 30 CDEDLO N#Cc1c(F)cc(CNC(=O)C=Cc2c[nH]c[nH+]2)cc1F ZINC000493227895 375428613 /nfs/dbraw/zinc/42/86/13/375428613.db2.gz SWNCMNOSHKYIPG-UPHRSURJSA-N 1 2 288.257 1.889 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)c1nc2ccccn2c1C#N ZINC000428123878 247246563 /nfs/dbraw/zinc/24/65/63/247246563.db2.gz YGRAKDCDHFFPRZ-UHFFFAOYSA-N 1 2 252.281 1.565 20 30 CDEDLO [O-]C(NCCC1(O)CCC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000328870790 375995369 /nfs/dbraw/zinc/99/53/69/375995369.db2.gz IEDIVOBWEPLYDC-LLVKDONJSA-N 1 2 278.356 1.007 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]CCC1(O)CCC1 ZINC000328870790 375995377 /nfs/dbraw/zinc/99/53/77/375995377.db2.gz IEDIVOBWEPLYDC-LLVKDONJSA-N 1 2 278.356 1.007 20 30 CDEDLO CCn1nncc1C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000328948582 376018030 /nfs/dbraw/zinc/01/80/30/376018030.db2.gz KPRVHBISZBQRCC-NSHDSACASA-N 1 2 288.355 1.685 20 30 CDEDLO Cc1noc([C@@H](C)NC(=O)Nc2cc[nH+]cc2C)n1 ZINC000330593909 376287319 /nfs/dbraw/zinc/28/73/19/376287319.db2.gz SPWPUBPGBWCCDT-MRVPVSSYSA-N 1 2 261.285 1.590 20 30 CDEDLO N#Cc1cccc(C2(C(=O)NCCCn3cc[nH+]c3)CC2)c1 ZINC000435115281 248154175 /nfs/dbraw/zinc/15/41/75/248154175.db2.gz YPFGGEFJWUMEBH-UHFFFAOYSA-N 1 2 294.358 1.993 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N[C@H](C)c1ccccc1 ZINC000076185949 377466295 /nfs/dbraw/zinc/46/62/95/377466295.db2.gz UWJHNOJWHLOOTM-CQSZACIVSA-N 1 2 254.333 1.432 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N1CCN(c2cccc(C)c2)CC1 ZINC000192237923 378177501 /nfs/dbraw/zinc/17/75/01/378177501.db2.gz VUYDBIJKOZJHPZ-UHFFFAOYSA-N 1 2 285.391 1.209 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N1CCN(c2cccc(C)c2)CC1 ZINC000192237923 378177504 /nfs/dbraw/zinc/17/75/04/378177504.db2.gz VUYDBIJKOZJHPZ-UHFFFAOYSA-N 1 2 285.391 1.209 20 30 CDEDLO C=CC[N@@H+](CCN1CCNC1=O)Cc1ccccc1F ZINC000289846167 378350125 /nfs/dbraw/zinc/35/01/25/378350125.db2.gz BAEAXVSHZIYSDC-UHFFFAOYSA-N 1 2 277.343 1.839 20 30 CDEDLO C=CC[N@H+](CCN1CCNC1=O)Cc1ccccc1F ZINC000289846167 378350129 /nfs/dbraw/zinc/35/01/29/378350129.db2.gz BAEAXVSHZIYSDC-UHFFFAOYSA-N 1 2 277.343 1.839 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCOC[C@@]23CCOC3)cc1 ZINC000195014021 378497741 /nfs/dbraw/zinc/49/77/41/378497741.db2.gz MNQHGDSKHLZPBS-KRWDZBQOSA-N 1 2 287.359 1.690 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCOC[C@@]23CCOC3)cc1 ZINC000195014021 378497750 /nfs/dbraw/zinc/49/77/50/378497750.db2.gz MNQHGDSKHLZPBS-KRWDZBQOSA-N 1 2 287.359 1.690 20 30 CDEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000293285454 378553306 /nfs/dbraw/zinc/55/33/06/378553306.db2.gz VPWBEPCFWZQKER-GFCCVEGCSA-N 1 2 290.363 1.986 20 30 CDEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000293285454 378553312 /nfs/dbraw/zinc/55/33/12/378553312.db2.gz VPWBEPCFWZQKER-GFCCVEGCSA-N 1 2 290.363 1.986 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCCOc1ccccc1 ZINC000293074560 378536242 /nfs/dbraw/zinc/53/62/42/378536242.db2.gz JDLYCPUQBYMHNF-UHFFFAOYSA-N 1 2 260.337 1.137 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCCOc1ccccc1 ZINC000293074560 378536250 /nfs/dbraw/zinc/53/62/50/378536250.db2.gz JDLYCPUQBYMHNF-UHFFFAOYSA-N 1 2 260.337 1.137 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(OC)s2)C1=O ZINC000639132602 378768519 /nfs/dbraw/zinc/76/85/19/378768519.db2.gz RCGPXVHUPFHSQJ-NSHDSACASA-N 1 2 281.381 1.370 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(OC)s2)C1=O ZINC000639132602 378768524 /nfs/dbraw/zinc/76/85/24/378768524.db2.gz RCGPXVHUPFHSQJ-NSHDSACASA-N 1 2 281.381 1.370 20 30 CDEDLO COc1ccc(OC)c2c1C[N@H+](CCCC#N)C[C@@H]2O ZINC000053145973 378773358 /nfs/dbraw/zinc/77/33/58/378773358.db2.gz URSYJKMSOKPCSN-LBPRGKRZSA-N 1 2 276.336 1.857 20 30 CDEDLO COc1ccc(OC)c2c1C[N@@H+](CCCC#N)C[C@@H]2O ZINC000053145973 378773361 /nfs/dbraw/zinc/77/33/61/378773361.db2.gz URSYJKMSOKPCSN-LBPRGKRZSA-N 1 2 276.336 1.857 20 30 CDEDLO C#C[C@@H](C)NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000186051129 378813371 /nfs/dbraw/zinc/81/33/71/378813371.db2.gz DIOVMHXESXBQKN-ZIAGYGMSSA-N 1 2 286.379 1.492 20 30 CDEDLO C#CCN(C)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000278609306 194066290 /nfs/dbraw/zinc/06/62/90/194066290.db2.gz MJFDOPUYYKUDLK-UHFFFAOYSA-N 1 2 287.363 1.616 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000278729669 194126812 /nfs/dbraw/zinc/12/68/12/194126812.db2.gz DBGADRNDGIWYGO-MRXNPFEDSA-N 1 2 285.347 1.816 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000278855865 194184599 /nfs/dbraw/zinc/18/45/99/194184599.db2.gz LUAGVSKRUSWRSE-ZDUSSCGKSA-N 1 2 251.330 1.059 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1nc(-c2cccs2)no1 ZINC000662163780 412912349 /nfs/dbraw/zinc/91/23/49/412912349.db2.gz KCRTZHHJRAHWFV-MRVPVSSYSA-N 1 2 251.311 1.435 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278935833 194218562 /nfs/dbraw/zinc/21/85/62/194218562.db2.gz WVXIQBGAZMMQPY-LBPRGKRZSA-N 1 2 293.342 1.366 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278935833 194218565 /nfs/dbraw/zinc/21/85/65/194218565.db2.gz WVXIQBGAZMMQPY-LBPRGKRZSA-N 1 2 293.342 1.366 20 30 CDEDLO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2sccc2C#N)C[C@@H]1C ZINC000174287915 379440884 /nfs/dbraw/zinc/44/08/84/379440884.db2.gz PHOVADBIQCEECE-WDEREUQCSA-N 1 2 293.392 1.147 20 30 CDEDLO C[C@@H](O)C[N@H+]1CCN(C(=O)c2sccc2C#N)C[C@@H]1C ZINC000174287915 379440892 /nfs/dbraw/zinc/44/08/92/379440892.db2.gz PHOVADBIQCEECE-WDEREUQCSA-N 1 2 293.392 1.147 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000492128740 253160654 /nfs/dbraw/zinc/16/06/54/253160654.db2.gz BPQNQGGBLFFKHV-BXUZGUMPSA-N 1 2 271.320 1.756 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000492128740 253160657 /nfs/dbraw/zinc/16/06/57/253160657.db2.gz BPQNQGGBLFFKHV-BXUZGUMPSA-N 1 2 271.320 1.756 20 30 CDEDLO CCO/C=C/C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000492798006 253297179 /nfs/dbraw/zinc/29/71/79/253297179.db2.gz SHFHOYQHMUHBLL-KPKJPENVSA-N 1 2 299.374 1.753 20 30 CDEDLO C#CC[N@@H+](C)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000192220301 533109629 /nfs/dbraw/zinc/10/96/29/533109629.db2.gz ZCVBNBJFGLBEQC-UHFFFAOYSA-N 1 2 287.319 1.005 20 30 CDEDLO C#CC[N@H+](C)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000192220301 533109633 /nfs/dbraw/zinc/10/96/33/533109633.db2.gz ZCVBNBJFGLBEQC-UHFFFAOYSA-N 1 2 287.319 1.005 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000192227803 533110415 /nfs/dbraw/zinc/11/04/15/533110415.db2.gz QBWLLVWHXSPNKC-VIFPVBQESA-N 1 2 252.264 1.857 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000192227803 533110422 /nfs/dbraw/zinc/11/04/22/533110422.db2.gz QBWLLVWHXSPNKC-VIFPVBQESA-N 1 2 252.264 1.857 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153760642 413005834 /nfs/dbraw/zinc/00/58/34/413005834.db2.gz NZZFGWAPLUISGQ-AWEZNQCLSA-N 1 2 291.376 1.671 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000153760642 413005840 /nfs/dbraw/zinc/00/58/40/413005840.db2.gz NZZFGWAPLUISGQ-AWEZNQCLSA-N 1 2 291.376 1.671 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCCC(C)(C)C)C1=O ZINC000281462563 195249118 /nfs/dbraw/zinc/24/91/18/195249118.db2.gz VKOQOCJAVOQDGA-CYBMUJFWSA-N 1 2 295.427 1.258 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCCC(C)(C)C)C1=O ZINC000281462563 195249119 /nfs/dbraw/zinc/24/91/19/195249119.db2.gz VKOQOCJAVOQDGA-CYBMUJFWSA-N 1 2 295.427 1.258 20 30 CDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H](F)C2)c1 ZINC000451181704 390603612 /nfs/dbraw/zinc/60/36/12/390603612.db2.gz FZGJYKXFNHGKJG-CYBMUJFWSA-N 1 2 261.300 1.218 20 30 CDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000451181704 390603619 /nfs/dbraw/zinc/60/36/19/390603619.db2.gz FZGJYKXFNHGKJG-CYBMUJFWSA-N 1 2 261.300 1.218 20 30 CDEDLO C=CCCCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376185768 390840726 /nfs/dbraw/zinc/84/07/26/390840726.db2.gz GASTXQGUKNBGKG-UONOGXRCSA-N 1 2 266.385 1.664 20 30 CDEDLO C=CCCCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376185767 390841094 /nfs/dbraw/zinc/84/10/94/390841094.db2.gz 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391453069 /nfs/dbraw/zinc/45/30/69/391453069.db2.gz PLNLJVATNHQPPZ-NWDGAFQWSA-N 1 2 285.388 1.172 20 30 CDEDLO C=C(CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O)c1ccccc1 ZINC000348953396 391467825 /nfs/dbraw/zinc/46/78/25/391467825.db2.gz HHVPCCLIXYLVMJ-AWEZNQCLSA-N 1 2 296.330 1.586 20 30 CDEDLO C=C(CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O)c1ccccc1 ZINC000348953396 391467829 /nfs/dbraw/zinc/46/78/29/391467829.db2.gz HHVPCCLIXYLVMJ-AWEZNQCLSA-N 1 2 296.330 1.586 20 30 CDEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411609519 391485479 /nfs/dbraw/zinc/48/54/79/391485479.db2.gz XEHRISYSSIPTOC-KGLIPLIRSA-N 1 2 294.395 1.849 20 30 CDEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411609519 391485482 /nfs/dbraw/zinc/48/54/82/391485482.db2.gz XEHRISYSSIPTOC-KGLIPLIRSA-N 1 2 294.395 1.849 20 30 CDEDLO N#CC[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000597901573 391516913 /nfs/dbraw/zinc/51/69/13/391516913.db2.gz XMZMAXFIBFCDIQ-QWHCGFSZSA-N 1 2 272.352 1.598 20 30 CDEDLO 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C=CCC(C)(C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000334221850 392037573 /nfs/dbraw/zinc/03/75/73/392037573.db2.gz XOISERFGWWKJFZ-NEPJUHHUSA-N 1 2 252.358 1.130 20 30 CDEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000334221850 392037580 /nfs/dbraw/zinc/03/75/80/392037580.db2.gz XOISERFGWWKJFZ-NEPJUHHUSA-N 1 2 252.358 1.130 20 30 CDEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCOCC12CC2 ZINC000549399543 392575119 /nfs/dbraw/zinc/57/51/19/392575119.db2.gz LYSQJNPMRBMUAV-UHFFFAOYSA-N 1 2 291.376 1.813 20 30 CDEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCOCC12CC2 ZINC000549399543 392575123 /nfs/dbraw/zinc/57/51/23/392575123.db2.gz LYSQJNPMRBMUAV-UHFFFAOYSA-N 1 2 291.376 1.813 20 30 CDEDLO COc1ccc(C[NH2+][C@H](C)c2nnc3n2CCC3)cc1C#N ZINC000266238493 131705472 /nfs/dbraw/zinc/70/54/72/131705472.db2.gz WKLNSNXLCBSEFA-LLVKDONJSA-N 1 2 297.362 1.955 20 30 CDEDLO N#Cc1cnn2cc(C[N@@H+]3CCOC4(CCC4)C3)cnc12 ZINC000517743415 392823156 /nfs/dbraw/zinc/82/31/56/392823156.db2.gz VYVXHEMUNLURSC-UHFFFAOYSA-N 1 2 283.335 1.356 20 30 CDEDLO N#Cc1cnn2cc(C[N@H+]3CCOC4(CCC4)C3)cnc12 ZINC000517743415 392823162 /nfs/dbraw/zinc/82/31/62/392823162.db2.gz VYVXHEMUNLURSC-UHFFFAOYSA-N 1 2 283.335 1.356 20 30 CDEDLO Cc1cc(N[C@@H]2CC(=O)N(C(C)C)C2)c(C#N)c[nH+]1 ZINC000425233295 392999307 /nfs/dbraw/zinc/99/93/07/392999307.db2.gz WVIRDQCQSCSPBS-GFCCVEGCSA-N 1 2 258.325 1.105 20 30 CDEDLO N#Cc1csc(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)c1 ZINC000494364659 393230447 /nfs/dbraw/zinc/23/04/47/393230447.db2.gz NZMDSVIJNONCRL-NSHDSACASA-N 1 2 277.349 1.646 20 30 CDEDLO N#Cc1csc(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)c1 ZINC000494364659 393230455 /nfs/dbraw/zinc/23/04/55/393230455.db2.gz NZMDSVIJNONCRL-NSHDSACASA-N 1 2 277.349 1.646 20 30 CDEDLO C=CCn1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)nn1 ZINC000648765423 393301330 /nfs/dbraw/zinc/30/13/30/393301330.db2.gz GZVQPJAXIMTMIN-NSHDSACASA-N 1 2 286.339 1.207 20 30 CDEDLO N#Cc1ncn(Cc2ccc(-n3cc[nH+]c3)cc2)c1C#N ZINC000188151349 140089107 /nfs/dbraw/zinc/08/91/07/140089107.db2.gz NUTQUSLHFFXNIU-UHFFFAOYSA-N 1 2 274.287 1.860 20 30 CDEDLO CC[NH+]1CCN(c2nccc(C#N)c2Cl)CC1 ZINC000233472473 140227122 /nfs/dbraw/zinc/22/71/22/140227122.db2.gz AKIQSCLUAHUNDT-UHFFFAOYSA-N 1 2 250.733 1.749 20 30 CDEDLO C[C@H]1C(=O)N(C)CC[N@H+]1CCOc1ccccc1C#N ZINC000187038297 397724360 /nfs/dbraw/zinc/72/43/60/397724360.db2.gz CFDDVYGKQYRXFM-LBPRGKRZSA-N 1 2 273.336 1.100 20 30 CDEDLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCOc1ccccc1C#N ZINC000187038297 397724364 /nfs/dbraw/zinc/72/43/64/397724364.db2.gz CFDDVYGKQYRXFM-LBPRGKRZSA-N 1 2 273.336 1.100 20 30 CDEDLO N#Cc1c(C[N@H+]2CCSC[C@H]2CO)cn2ccccc12 ZINC000335118815 150306064 /nfs/dbraw/zinc/30/60/64/150306064.db2.gz WWAJELBROJLBNO-CYBMUJFWSA-N 1 2 287.388 1.721 20 30 CDEDLO N#Cc1c(C[N@@H+]2CCSC[C@H]2CO)cn2ccccc12 ZINC000335118815 150306065 /nfs/dbraw/zinc/30/60/65/150306065.db2.gz WWAJELBROJLBNO-CYBMUJFWSA-N 1 2 287.388 1.721 20 30 CDEDLO N#Cc1cccc(NC(=O)CCCn2cc[nH+]c2)n1 ZINC001585912098 1172921861 /nfs/dbraw/zinc/92/18/61/1172921861.db2.gz BTSPDVTZADHCFA-UHFFFAOYSA-N 1 2 255.281 1.569 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000362085234 159065510 /nfs/dbraw/zinc/06/55/10/159065510.db2.gz GCTVFHGPBMQWEP-GLQYFDAESA-N 1 2 288.347 1.333 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000362085234 159065512 /nfs/dbraw/zinc/06/55/12/159065512.db2.gz GCTVFHGPBMQWEP-GLQYFDAESA-N 1 2 288.347 1.333 20 30 CDEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1nnnn1C ZINC000355867296 287130371 /nfs/dbraw/zinc/13/03/71/287130371.db2.gz ULXUKIBJOBZSEB-JTQLQIEISA-N 1 2 256.313 1.275 20 30 CDEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1nnnn1C ZINC000355867296 287130374 /nfs/dbraw/zinc/13/03/74/287130374.db2.gz ULXUKIBJOBZSEB-JTQLQIEISA-N 1 2 256.313 1.275 20 30 CDEDLO C=CCCC(C)(C)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000664758372 413636554 /nfs/dbraw/zinc/63/65/54/413636554.db2.gz DBPVBFFXDIOCGM-UHFFFAOYSA-N 1 2 295.427 1.895 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1nc(Cc2cccc(F)c2)no1 ZINC000662168928 414548575 /nfs/dbraw/zinc/54/85/75/414548575.db2.gz ZNPXKAKCUZNGKJ-GFCCVEGCSA-N 1 2 277.299 1.436 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1nc(Cc2ccccc2)no1 ZINC000662165534 414544447 /nfs/dbraw/zinc/54/44/47/414544447.db2.gz IFAMTGQULZMLKX-GFCCVEGCSA-N 1 2 259.309 1.297 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)CC(C)(C)O1 ZINC000044477826 175178464 /nfs/dbraw/zinc/17/84/64/175178464.db2.gz BVYVELIMABLVQV-GFCCVEGCSA-N 1 2 287.363 1.996 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC(C)(C)O1 ZINC000044477826 175178465 /nfs/dbraw/zinc/17/84/65/175178465.db2.gz BVYVELIMABLVQV-GFCCVEGCSA-N 1 2 287.363 1.996 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCOC3)CC2)cc1 ZINC000071834610 176273322 /nfs/dbraw/zinc/27/33/22/176273322.db2.gz KAKZLDURLZFLGZ-MRXNPFEDSA-N 1 2 299.374 1.239 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000076398330 177015736 /nfs/dbraw/zinc/01/57/36/177015736.db2.gz JVKWXDUWPJGKNG-LLVKDONJSA-N 1 2 293.333 1.247 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000076398330 177015737 /nfs/dbraw/zinc/01/57/37/177015737.db2.gz JVKWXDUWPJGKNG-LLVKDONJSA-N 1 2 293.333 1.247 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000077248181 177239723 /nfs/dbraw/zinc/23/97/23/177239723.db2.gz ZREJGSIZUUJEEM-LBPRGKRZSA-N 1 2 276.336 1.666 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@@H](C)C1 ZINC000077248181 177239724 /nfs/dbraw/zinc/23/97/24/177239724.db2.gz ZREJGSIZUUJEEM-LBPRGKRZSA-N 1 2 276.336 1.666 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000347088707 226044847 /nfs/dbraw/zinc/04/48/47/226044847.db2.gz PXJCPGNTPCMYIR-OLZOCXBDSA-N 1 2 272.352 1.446 20 30 CDEDLO C[C@]1(F)CC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000347398618 226145387 /nfs/dbraw/zinc/14/53/87/226145387.db2.gz YHXIPZZUAPQLJM-ZDUSSCGKSA-N 1 2 266.320 1.076 20 30 CDEDLO C[C@]1(F)CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000347398618 226145391 /nfs/dbraw/zinc/14/53/91/226145391.db2.gz YHXIPZZUAPQLJM-ZDUSSCGKSA-N 1 2 266.320 1.076 20 30 CDEDLO O=C(NC[C@@H]1COCCO1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000329176819 227340445 /nfs/dbraw/zinc/34/04/45/227340445.db2.gz MWQGLRACLSQLDJ-NEPJUHHUSA-N 1 2 294.355 1.266 20 30 CDEDLO Cc1nc(C)c(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)o1 ZINC000329202302 227351948 /nfs/dbraw/zinc/35/19/48/227351948.db2.gz YAQFRLCVJHUQKT-VIFPVBQESA-N 1 2 260.297 1.877 20 30 CDEDLO Cc1nc(C)c(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)o1 ZINC000329202302 227351951 /nfs/dbraw/zinc/35/19/51/227351951.db2.gz YAQFRLCVJHUQKT-VIFPVBQESA-N 1 2 260.297 1.877 20 30 CDEDLO Cc1nnccc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330136487 228047500 /nfs/dbraw/zinc/04/75/00/228047500.db2.gz UEFTYNFPJCOTEX-LLVKDONJSA-N 1 2 286.339 1.933 20 30 CDEDLO Cc1nccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)n1 ZINC000330153512 228051429 /nfs/dbraw/zinc/05/14/29/228051429.db2.gz MVIVDHMXTFRZFL-UHFFFAOYSA-N 1 2 286.339 1.933 20 30 CDEDLO Cc1nccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)n1 ZINC000330153512 228051432 /nfs/dbraw/zinc/05/14/32/228051432.db2.gz MVIVDHMXTFRZFL-UHFFFAOYSA-N 1 2 286.339 1.933 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)C[C@@H](C)O1 ZINC000408127699 260267421 /nfs/dbraw/zinc/26/74/21/260267421.db2.gz FUSHNGVZZRNRRN-ZIAGYGMSSA-N 1 2 293.411 1.828 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C[C@@H](C)O1 ZINC000408127699 260267422 /nfs/dbraw/zinc/26/74/22/260267422.db2.gz FUSHNGVZZRNRRN-ZIAGYGMSSA-N 1 2 293.411 1.828 20 30 CDEDLO CCc1nc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)no1 ZINC000158213423 261160896 /nfs/dbraw/zinc/16/08/96/261160896.db2.gz BVCLAFKJWAMKRP-UHFFFAOYSA-N 1 2 288.307 1.404 20 30 CDEDLO N#CCNC(=O)C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000119653365 262169281 /nfs/dbraw/zinc/16/92/81/262169281.db2.gz ABOWWDIUALZGRN-UHFFFAOYSA-N 1 2 265.357 1.051 20 30 CDEDLO N#CCNC(=O)C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000119653365 262169282 /nfs/dbraw/zinc/16/92/82/262169282.db2.gz ABOWWDIUALZGRN-UHFFFAOYSA-N 1 2 265.357 1.051 20 30 CDEDLO C=CCCCCCO[NH+]=C(N)C(C)(C)NC(C)=O ZINC000195392080 262250265 /nfs/dbraw/zinc/25/02/65/262250265.db2.gz QDRIRBZRQLCREW-UHFFFAOYSA-N 1 2 255.362 1.936 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc2cccnc21 ZINC000414161675 262819088 /nfs/dbraw/zinc/81/90/88/262819088.db2.gz KLQIUGWYOXRRLX-AWEZNQCLSA-N 1 2 285.347 1.820 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc2cccnc21 ZINC000414161675 262819089 /nfs/dbraw/zinc/81/90/89/262819089.db2.gz KLQIUGWYOXRRLX-AWEZNQCLSA-N 1 2 285.347 1.820 20 30 CDEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1nnc(C)s1 ZINC000273624976 263018590 /nfs/dbraw/zinc/01/85/90/263018590.db2.gz RFKVOHZMSAIPPN-SECBINFHSA-N 1 2 281.385 1.259 20 30 CDEDLO NC(CN1CCOCC1)=[NH+]OCc1cccc(C(F)F)c1 ZINC000279875092 263057975 /nfs/dbraw/zinc/05/79/75/263057975.db2.gz MKEUSIULGNWCRC-UHFFFAOYSA-N 1 2 299.321 1.745 20 30 CDEDLO CC1(C#N)CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000280519938 263062456 /nfs/dbraw/zinc/06/24/56/263062456.db2.gz RAOSFXSJFCKWOY-UHFFFAOYSA-N 1 2 280.331 1.917 20 30 CDEDLO NC(=[NH+]OCCOc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000284405867 263086890 /nfs/dbraw/zinc/08/68/90/263086890.db2.gz NFPVBBFAEDPXQY-GFCCVEGCSA-N 1 2 295.295 1.441 20 30 CDEDLO CC(C)(CC#N)CS(=O)(=O)NCCNc1cccc[nH+]1 ZINC000296219458 263187724 /nfs/dbraw/zinc/18/77/24/263187724.db2.gz KCIKRUKKOCJNGQ-UHFFFAOYSA-N 1 2 296.396 1.353 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1)C1CC1 ZINC000298752959 263225125 /nfs/dbraw/zinc/22/51/25/263225125.db2.gz HNEJSAMPZPMQFD-HOCLYGCPSA-N 1 2 286.379 1.960 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1c1ccc[nH]1)C1CC1 ZINC000298752959 263225127 /nfs/dbraw/zinc/22/51/27/263225127.db2.gz HNEJSAMPZPMQFD-HOCLYGCPSA-N 1 2 286.379 1.960 20 30 CDEDLO CC(C)(CCC#N)CNc1[nH+]cnc(N)c1Cl ZINC000340944311 263313435 /nfs/dbraw/zinc/31/34/35/263313435.db2.gz VZJVRCMZACNGKF-UHFFFAOYSA-N 1 2 253.737 1.876 20 30 CDEDLO CC(C)(CCC#N)CNc1nc[nH+]c(N)c1Cl ZINC000340944311 263313433 /nfs/dbraw/zinc/31/34/33/263313433.db2.gz VZJVRCMZACNGKF-UHFFFAOYSA-N 1 2 253.737 1.876 20 30 CDEDLO C[C@H]1OCC[N@@H+](CC#CCN2CCO[C@@H](C)[C@H]2C)[C@@H]1C ZINC000341873065 263361136 /nfs/dbraw/zinc/36/11/36/263361136.db2.gz RNKMASSTKBXSRI-FPCVCCKLSA-N 1 2 280.412 1.208 20 30 CDEDLO C[C@H]1OCC[N@H+](CC#CCN2CCO[C@@H](C)[C@H]2C)[C@@H]1C ZINC000341873065 263361138 /nfs/dbraw/zinc/36/11/38/263361138.db2.gz RNKMASSTKBXSRI-FPCVCCKLSA-N 1 2 280.412 1.208 20 30 CDEDLO C[C@H]1OCCN(CC#CC[N@@H+]2CCO[C@@H](C)[C@H]2C)[C@@H]1C ZINC000341873065 263361140 /nfs/dbraw/zinc/36/11/40/263361140.db2.gz RNKMASSTKBXSRI-FPCVCCKLSA-N 1 2 280.412 1.208 20 30 CDEDLO C[C@H]1OCCN(CC#CC[N@H+]2CCO[C@@H](C)[C@H]2C)[C@@H]1C ZINC000341873065 263361144 /nfs/dbraw/zinc/36/11/44/263361144.db2.gz RNKMASSTKBXSRI-FPCVCCKLSA-N 1 2 280.412 1.208 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCC(F)(F)F ZINC000330934492 264079861 /nfs/dbraw/zinc/07/98/61/264079861.db2.gz IZROLAVUHSTUGP-VIFPVBQESA-N 1 2 283.294 1.163 20 30 CDEDLO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)Cc1ccoc1 ZINC000330942726 264084358 /nfs/dbraw/zinc/08/43/58/264084358.db2.gz GSHVKAUXYUZMRJ-SNVBAGLBSA-N 1 2 281.356 1.929 20 30 CDEDLO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)Cc1ccoc1 ZINC000330942726 264084359 /nfs/dbraw/zinc/08/43/59/264084359.db2.gz GSHVKAUXYUZMRJ-SNVBAGLBSA-N 1 2 281.356 1.929 20 30 CDEDLO CC(C)c1cc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)nn1C ZINC000330970437 264092076 /nfs/dbraw/zinc/09/20/76/264092076.db2.gz JKRHBFOEIPXKPX-LBPRGKRZSA-N 1 2 294.399 1.569 20 30 CDEDLO CC(C)c1cc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)nn1C ZINC000330970437 264092079 /nfs/dbraw/zinc/09/20/79/264092079.db2.gz JKRHBFOEIPXKPX-LBPRGKRZSA-N 1 2 294.399 1.569 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000331058668 264109562 /nfs/dbraw/zinc/10/95/62/264109562.db2.gz ROLBXKNPBAVFTL-ZFWWWQNUSA-N 1 2 293.411 1.638 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000331058668 264109565 /nfs/dbraw/zinc/10/95/65/264109565.db2.gz ROLBXKNPBAVFTL-ZFWWWQNUSA-N 1 2 293.411 1.638 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C ZINC000356752049 266168647 /nfs/dbraw/zinc/16/86/47/266168647.db2.gz OOUCSRJRJBJDEH-ZNMIVQPWSA-N 1 2 296.411 1.289 20 30 CDEDLO C[C@H](CC#N)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117773047 267221802 /nfs/dbraw/zinc/22/18/02/267221802.db2.gz FKVWYZYCLNVURH-LLVKDONJSA-N 1 2 254.293 1.904 20 30 CDEDLO Cc1cccc2[nH+]c(CNc3ncncc3C#N)cn21 ZINC000517348467 268059676 /nfs/dbraw/zinc/05/96/76/268059676.db2.gz IHQBVOOINCCPRX-UHFFFAOYSA-N 1 2 264.292 1.338 20 30 CDEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C#N)C1 ZINC000528562219 268301380 /nfs/dbraw/zinc/30/13/80/268301380.db2.gz VLEOYSYLHOXNSX-GXTWGEPZSA-N 1 2 271.320 1.143 20 30 CDEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C#N)C1 ZINC000528562219 268301382 /nfs/dbraw/zinc/30/13/82/268301382.db2.gz VLEOYSYLHOXNSX-GXTWGEPZSA-N 1 2 271.320 1.143 20 30 CDEDLO CC(C)(C)[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])C(N)=O ZINC000459364617 270394834 /nfs/dbraw/zinc/39/48/34/270394834.db2.gz JDIRQLBDSQGERM-GFCCVEGCSA-N 1 2 290.323 1.456 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H]2[C@@H](CCS2(=O)=O)C1 ZINC000353118274 278310126 /nfs/dbraw/zinc/31/01/26/278310126.db2.gz LKPSJPZDGKTSFZ-UGFHNGPFSA-N 1 2 290.388 1.738 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2[C@@H](CCS2(=O)=O)C1 ZINC000353118274 278310127 /nfs/dbraw/zinc/31/01/27/278310127.db2.gz LKPSJPZDGKTSFZ-UGFHNGPFSA-N 1 2 290.388 1.738 20 30 CDEDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc(C#N)s1 ZINC000336555422 288099275 /nfs/dbraw/zinc/09/92/75/288099275.db2.gz UWXDIYHJDGVFJF-VHSXEESVSA-N 1 2 263.366 1.784 20 30 CDEDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc(C#N)s1 ZINC000336555422 288099277 /nfs/dbraw/zinc/09/92/77/288099277.db2.gz UWXDIYHJDGVFJF-VHSXEESVSA-N 1 2 263.366 1.784 20 30 CDEDLO CC[N@H+](CC#Cc1ccc(Cl)cc1)[C@@H]1CCNC1=O ZINC000282357360 279047287 /nfs/dbraw/zinc/04/72/87/279047287.db2.gz MZKHWIVACFWOMS-CQSZACIVSA-N 1 2 276.767 1.902 20 30 CDEDLO CC[N@@H+](CC#Cc1ccc(Cl)cc1)[C@@H]1CCNC1=O ZINC000282357360 279047288 /nfs/dbraw/zinc/04/72/88/279047288.db2.gz MZKHWIVACFWOMS-CQSZACIVSA-N 1 2 276.767 1.902 20 30 CDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)C[C@@H](C)[NH+]1C ZINC000230346663 288240220 /nfs/dbraw/zinc/24/02/20/288240220.db2.gz GOWIDDVNBLFPFP-NXEZZACHSA-N 1 2 299.421 1.333 20 30 CDEDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000346835869 288328216 /nfs/dbraw/zinc/32/82/16/288328216.db2.gz MUFVITDEOXNNCW-RYUDHWBXSA-N 1 2 265.357 1.048 20 30 CDEDLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000346835869 288328218 /nfs/dbraw/zinc/32/82/18/288328218.db2.gz MUFVITDEOXNNCW-RYUDHWBXSA-N 1 2 265.357 1.048 20 30 CDEDLO N#Cc1cc(NCc2ccccc2Cn2cc[nH+]c2)ncn1 ZINC000570973010 294345194 /nfs/dbraw/zinc/34/51/94/294345194.db2.gz WYPFQTAWAQWIAC-UHFFFAOYSA-N 1 2 290.330 1.627 20 30 CDEDLO N#CC1(F)CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000352464168 294791909 /nfs/dbraw/zinc/79/19/09/294791909.db2.gz PVJDVFUIXDOVDC-NSHDSACASA-N 1 2 251.305 1.077 20 30 CDEDLO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000329647449 294823627 /nfs/dbraw/zinc/82/36/27/294823627.db2.gz BGWGEDHNLWTRCK-MDZLAQPJSA-N 1 2 276.361 1.797 20 30 CDEDLO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000574462896 295004536 /nfs/dbraw/zinc/00/45/36/295004536.db2.gz NSGYYCFFWSIURO-AWEZNQCLSA-N 1 2 293.392 1.352 20 30 CDEDLO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000574462896 295004537 /nfs/dbraw/zinc/00/45/37/295004537.db2.gz NSGYYCFFWSIURO-AWEZNQCLSA-N 1 2 293.392 1.352 20 30 CDEDLO N#Cc1ccc(N2CCN(c3cccc[nH+]3)CC2)nc1N ZINC000574704520 295042163 /nfs/dbraw/zinc/04/21/63/295042163.db2.gz WRFFFGIQDKKDES-UHFFFAOYSA-N 1 2 280.335 1.257 20 30 CDEDLO Cc1cc(N2CC[C@@H](C)[S@](=O)CC2)c(C#N)c[nH+]1 ZINC000333459167 301340867 /nfs/dbraw/zinc/34/08/67/301340867.db2.gz LGCCNHREGOXJLK-ADLMAVQZSA-N 1 2 263.366 1.609 20 30 CDEDLO Cn1ccc(N2CCC[C@H]([NH2+][C@H]3CCC[C@@H]3C#N)C2=O)n1 ZINC000329556005 302953248 /nfs/dbraw/zinc/95/32/48/302953248.db2.gz DVTSWNFDQOWSIU-AGIUHOORSA-N 1 2 287.367 1.197 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000333228493 303168659 /nfs/dbraw/zinc/16/86/59/303168659.db2.gz BLDFXCKXUWZUFE-GZBFAFLISA-N 1 2 291.395 1.438 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000333228493 303168660 /nfs/dbraw/zinc/16/86/60/303168660.db2.gz BLDFXCKXUWZUFE-GZBFAFLISA-N 1 2 291.395 1.438 20 30 CDEDLO CC(C)(CC#N)CNC(=O)NCCCCn1cc[nH+]c1 ZINC000563013254 327756718 /nfs/dbraw/zinc/75/67/18/327756718.db2.gz JKYRUSIQOBIRTP-UHFFFAOYSA-N 1 2 277.372 1.902 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](COC)c1ccco1 ZINC000184623053 327831431 /nfs/dbraw/zinc/83/14/31/327831431.db2.gz DHEDIMIYRZWQRP-CHWSQXEVSA-N 1 2 293.367 1.565 20 30 CDEDLO C=CCNC(=O)c1ccc(NC(=O)CCn2cc[nH+]c2)cc1 ZINC000338060889 327965105 /nfs/dbraw/zinc/96/51/05/327965105.db2.gz SRYVCUPAPOGMPQ-UHFFFAOYSA-N 1 2 298.346 1.828 20 30 CDEDLO Cc1ccc(F)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1F ZINC000570970172 327966904 /nfs/dbraw/zinc/96/69/04/327966904.db2.gz KAXSUQITYHLRQN-CQSZACIVSA-N 1 2 281.306 1.847 20 30 CDEDLO Cc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000571258544 328095614 /nfs/dbraw/zinc/09/56/14/328095614.db2.gz PTYXRMJNOMQBCD-CQSZACIVSA-N 1 2 290.323 1.477 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CC12CCCCC2 ZINC000571450751 328122991 /nfs/dbraw/zinc/12/29/91/328122991.db2.gz UYJYTSHFAYKFFD-JSGCOSHPSA-N 1 2 263.385 1.917 20 30 CDEDLO N#Cc1ccc2[nH+]cc(CN3CCN(C(=O)C4CC4)C3)n2c1 ZINC000582957894 325076470 /nfs/dbraw/zinc/07/64/70/325076470.db2.gz NXGZKTVJNNOIIO-UHFFFAOYSA-N 1 2 295.346 1.218 20 30 CDEDLO CN(C)c1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000563815815 328521100 /nfs/dbraw/zinc/52/11/00/328521100.db2.gz UJJBCFKZKMMTFJ-HNNXBMFYSA-N 1 2 274.368 1.326 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+]CC(=O)N1CCc2ccccc2C1 ZINC000558506836 327099798 /nfs/dbraw/zinc/09/97/98/327099798.db2.gz PFJNAVKSYHQWMC-CQSZACIVSA-N 1 2 296.374 1.604 20 30 CDEDLO CC(C)(C(=O)N1CCC(CC#N)CC1)[NH+]1CCOCC1 ZINC000558715927 327116443 /nfs/dbraw/zinc/11/64/43/327116443.db2.gz XQWOZBVFNYFIEU-UHFFFAOYSA-N 1 2 279.384 1.249 20 30 CDEDLO COc1ccccc1COC[C@H](O)C[N@H+](C)CCC#N ZINC000078320954 327134876 /nfs/dbraw/zinc/13/48/76/327134876.db2.gz RAQUPBQQMGSLGB-CQSZACIVSA-N 1 2 278.352 1.418 20 30 CDEDLO COc1ccccc1COC[C@H](O)C[N@@H+](C)CCC#N ZINC000078320954 327134877 /nfs/dbraw/zinc/13/48/77/327134877.db2.gz RAQUPBQQMGSLGB-CQSZACIVSA-N 1 2 278.352 1.418 20 30 CDEDLO C=CCSCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000561316324 327385435 /nfs/dbraw/zinc/38/54/35/327385435.db2.gz RPRJXPCABFCDHC-NSHDSACASA-N 1 2 265.382 1.481 20 30 CDEDLO CC(C)(CC#N)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000570453392 327591639 /nfs/dbraw/zinc/59/16/39/327591639.db2.gz VPAGEHJKMDZNJX-LLVKDONJSA-N 1 2 260.341 1.502 20 30 CDEDLO C#CCCS(=O)(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000377399315 329014242 /nfs/dbraw/zinc/01/42/42/329014242.db2.gz NPNWEBYTEMFUBD-QWHCGFSZSA-N 1 2 281.381 1.119 20 30 CDEDLO CC#CCCCC(=O)N1CCC[N@@H+](CC(=O)OCC)CC1 ZINC000186087722 329337464 /nfs/dbraw/zinc/33/74/64/329337464.db2.gz IIKFNBODGLRLRX-UHFFFAOYSA-N 1 2 294.395 1.277 20 30 CDEDLO CC#CCCCC(=O)N1CCC[N@H+](CC(=O)OCC)CC1 ZINC000186087722 329337466 /nfs/dbraw/zinc/33/74/66/329337466.db2.gz IIKFNBODGLRLRX-UHFFFAOYSA-N 1 2 294.395 1.277 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccc(OC)c(OC)c2)nn1 ZINC000424173080 330313585 /nfs/dbraw/zinc/31/35/85/330313585.db2.gz OXLULYJHOTUKJG-UHFFFAOYSA-N 1 2 288.351 1.771 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Nc2cc(C)ccc2F)CC1 ZINC000119500718 330375894 /nfs/dbraw/zinc/37/58/94/330375894.db2.gz WMOPKRAYQBNYJO-UHFFFAOYSA-N 1 2 275.327 1.917 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCOC[C@@H]2C2CC2)CCCCC1 ZINC000090008914 330389854 /nfs/dbraw/zinc/38/98/54/330389854.db2.gz DKILCMFUNHHFCU-CQSZACIVSA-N 1 2 291.395 1.440 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCOC[C@@H]2C2CC2)CCCCC1 ZINC000090008914 330389855 /nfs/dbraw/zinc/38/98/55/330389855.db2.gz DKILCMFUNHHFCU-CQSZACIVSA-N 1 2 291.395 1.440 20 30 CDEDLO CN(CC#N)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000433345405 330626854 /nfs/dbraw/zinc/62/68/54/330626854.db2.gz XXGPOOCSFPRSAZ-UHFFFAOYSA-N 1 2 268.320 1.456 20 30 CDEDLO CC(C)C[C@H](CNC(=O)[C@@]1(C#N)C[C@@H]1C)[NH+]1CCOCC1 ZINC000448634894 330747228 /nfs/dbraw/zinc/74/72/28/330747228.db2.gz WSANBKMINJNTRK-SQWLQELKSA-N 1 2 293.411 1.399 20 30 CDEDLO C=C(C)COCCNC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000454701479 331151781 /nfs/dbraw/zinc/15/17/81/331151781.db2.gz XFJDGIGIHVRWTC-RYUDHWBXSA-N 1 2 278.356 1.781 20 30 CDEDLO C=C(C)CCNC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000458990463 331264568 /nfs/dbraw/zinc/26/45/68/331264568.db2.gz BRLRNQQOFPDDAA-CYBMUJFWSA-N 1 2 269.389 1.363 20 30 CDEDLO C=C(C)CCNC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000458990463 331264569 /nfs/dbraw/zinc/26/45/69/331264569.db2.gz BRLRNQQOFPDDAA-CYBMUJFWSA-N 1 2 269.389 1.363 20 30 CDEDLO C#CCN(CC)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000490606139 332095075 /nfs/dbraw/zinc/09/50/75/332095075.db2.gz VMUOZSGCGKIAIB-UHFFFAOYSA-N 1 2 253.305 1.968 20 30 CDEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCOC[C@H]1C)C(C)(C)C ZINC000491465751 332217228 /nfs/dbraw/zinc/21/72/28/332217228.db2.gz XXUNMMAJPWCUMG-CHWSQXEVSA-N 1 2 281.400 1.054 20 30 CDEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1C)C(C)(C)C ZINC000491465751 332217229 /nfs/dbraw/zinc/21/72/29/332217229.db2.gz XXUNMMAJPWCUMG-CHWSQXEVSA-N 1 2 281.400 1.054 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C2(CCOCC2)[C@H]1C1CC1 ZINC000491546479 332235570 /nfs/dbraw/zinc/23/55/70/332235570.db2.gz VYZSREYYYQZNNI-TZMCWYRMSA-N 1 2 276.380 1.315 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C2(CCOCC2)[C@H]1C1CC1 ZINC000491546479 332235571 /nfs/dbraw/zinc/23/55/71/332235571.db2.gz VYZSREYYYQZNNI-TZMCWYRMSA-N 1 2 276.380 1.315 20 30 CDEDLO C#CCN(CC#N)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000491555317 332237478 /nfs/dbraw/zinc/23/74/78/332237478.db2.gz QJHQGUJKVYXVLC-UHFFFAOYSA-N 1 2 250.305 1.831 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCc1nc(-c2ccccc2)no1 ZINC000491642751 332261778 /nfs/dbraw/zinc/26/17/78/332261778.db2.gz BVGUGPPZRBNCSM-CQSZACIVSA-N 1 2 283.331 1.613 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCc1nc(-c2ccccc2)no1 ZINC000491642751 332261780 /nfs/dbraw/zinc/26/17/80/332261780.db2.gz BVGUGPPZRBNCSM-CQSZACIVSA-N 1 2 283.331 1.613 20 30 CDEDLO C#CCN(CC#CC)C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000491724508 332308946 /nfs/dbraw/zinc/30/89/46/332308946.db2.gz FNJJBFMYEHQWSA-UHFFFAOYSA-N 1 2 294.358 1.811 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000491750521 332327101 /nfs/dbraw/zinc/32/71/01/332327101.db2.gz VHINVODTETYJFW-NSHDSACASA-N 1 2 285.307 1.764 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000491750521 332327102 /nfs/dbraw/zinc/32/71/02/332327102.db2.gz VHINVODTETYJFW-NSHDSACASA-N 1 2 285.307 1.764 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/COc1ccccc1 ZINC000493493490 332442503 /nfs/dbraw/zinc/44/25/03/332442503.db2.gz MRLAPCCIRAWLBN-JCVNQNCUSA-N 1 2 287.363 1.582 20 30 CDEDLO C#CCN(CC#C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000175711329 333029986 /nfs/dbraw/zinc/02/99/86/333029986.db2.gz VZYNJSORNUEACX-UHFFFAOYSA-N 1 2 263.300 1.581 20 30 CDEDLO CCCc1occc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000516774091 333082126 /nfs/dbraw/zinc/08/21/26/333082126.db2.gz GPKKBWLSNLTGOU-AWEZNQCLSA-N 1 2 263.341 1.806 20 30 CDEDLO C#CC[NH+]1CCN(CN2C[C@H](CC(C)(C)C)CC2=O)CC1 ZINC000189051043 333179255 /nfs/dbraw/zinc/17/92/55/333179255.db2.gz DFFMGEBQLUXYBW-HNNXBMFYSA-N 1 2 291.439 1.479 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCc1ccc(Cl)s1 ZINC000192235941 333233579 /nfs/dbraw/zinc/23/35/79/333233579.db2.gz DTUCSUJNBLTWBJ-UHFFFAOYSA-N 1 2 256.758 1.583 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCc1ccc(Cl)s1 ZINC000192235941 333233580 /nfs/dbraw/zinc/23/35/80/333233580.db2.gz DTUCSUJNBLTWBJ-UHFFFAOYSA-N 1 2 256.758 1.583 20 30 CDEDLO CC(C)c1ncsc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000576112109 335156119 /nfs/dbraw/zinc/15/61/19/335156119.db2.gz XGZLGAJFVBQASZ-CYBMUJFWSA-N 1 2 280.397 1.840 20 30 CDEDLO C=CCNC(=O)C[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000547344705 334081604 /nfs/dbraw/zinc/08/16/04/334081604.db2.gz PZXKOTWTDMQNPL-GFCCVEGCSA-N 1 2 294.317 1.314 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000251663116 334366354 /nfs/dbraw/zinc/36/63/54/334366354.db2.gz IDNMYHUJVLLGKB-KKUMJFAQSA-N 1 2 296.411 1.311 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000251663116 334366356 /nfs/dbraw/zinc/36/63/56/334366356.db2.gz IDNMYHUJVLLGKB-KKUMJFAQSA-N 1 2 296.411 1.311 20 30 CDEDLO Cc1nc(C(C)C)oc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000566309815 334642201 /nfs/dbraw/zinc/64/22/01/334642201.db2.gz TZMWLSJCQALHNY-AWEZNQCLSA-N 1 2 278.356 1.680 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc2cnccc2n1 ZINC000569250031 334863699 /nfs/dbraw/zinc/86/36/99/334863699.db2.gz WFINRRFFTBSBMW-OAHLLOKOSA-N 1 2 283.335 1.203 20 30 CDEDLO CCc1ccc(OCC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000576565288 335219269 /nfs/dbraw/zinc/21/92/69/335219269.db2.gz CIKQUXDZJTUGTM-MRXNPFEDSA-N 1 2 289.379 1.588 20 30 CDEDLO N#CC1(C[N@H+]2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)CCC1 ZINC000577186763 335318791 /nfs/dbraw/zinc/31/87/91/335318791.db2.gz WFOUKYIHVZMTJC-RBSFLKMASA-N 1 2 278.396 1.932 20 30 CDEDLO N#CC1(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)CCC1 ZINC000577186763 335318792 /nfs/dbraw/zinc/31/87/92/335318792.db2.gz WFOUKYIHVZMTJC-RBSFLKMASA-N 1 2 278.396 1.932 20 30 CDEDLO C[C@H](C#N)CNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000182861371 335847443 /nfs/dbraw/zinc/84/74/43/335847443.db2.gz SYIZOWOUBGZEQV-CYBMUJFWSA-N 1 2 287.367 1.068 20 30 CDEDLO COc1cc(NC[C@H](O)C[N@H+](C)CCC#N)c(C)cc1C ZINC000581603577 336110394 /nfs/dbraw/zinc/11/03/94/336110394.db2.gz FHJYCDIWNNCOGB-AWEZNQCLSA-N 1 2 291.395 1.930 20 30 CDEDLO COc1cc(NC[C@H](O)C[N@@H+](C)CCC#N)c(C)cc1C ZINC000581603577 336110395 /nfs/dbraw/zinc/11/03/95/336110395.db2.gz FHJYCDIWNNCOGB-AWEZNQCLSA-N 1 2 291.395 1.930 20 30 CDEDLO C=CCn1cc(CNc2cc(CCCC)[nH+]cn2)nn1 ZINC000631309483 482466738 /nfs/dbraw/zinc/46/67/38/482466738.db2.gz QGUPVZXJFAQLDW-UHFFFAOYSA-N 1 2 272.356 1.631 20 30 CDEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000677133043 482469232 /nfs/dbraw/zinc/46/92/32/482469232.db2.gz FAFGPHSRXCWHPF-UHFFFAOYSA-N 1 2 292.404 1.546 20 30 CDEDLO COCC#CC[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000677133043 482469233 /nfs/dbraw/zinc/46/92/33/482469233.db2.gz FAFGPHSRXCWHPF-UHFFFAOYSA-N 1 2 292.404 1.546 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cn(C)nc2CC)C1=O ZINC000684967179 483042631 /nfs/dbraw/zinc/04/26/31/483042631.db2.gz SUEDEKHWBUJWKD-AWEZNQCLSA-N 1 2 276.384 1.201 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cn(C)nc2CC)C1=O ZINC000684967179 483042638 /nfs/dbraw/zinc/04/26/38/483042638.db2.gz SUEDEKHWBUJWKD-AWEZNQCLSA-N 1 2 276.384 1.201 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)COCC)C1 ZINC001753429834 1185200816 /nfs/dbraw/zinc/20/08/16/1185200816.db2.gz DDPDHAAIULUELG-LLVKDONJSA-N 1 2 260.765 1.308 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)COCC)C1 ZINC001753429834 1185200821 /nfs/dbraw/zinc/20/08/21/1185200821.db2.gz DDPDHAAIULUELG-LLVKDONJSA-N 1 2 260.765 1.308 20 30 CDEDLO CCn1ccnc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000366352888 523536502 /nfs/dbraw/zinc/53/65/02/523536502.db2.gz HGSAXOGSFYPSOG-CQSZACIVSA-N 1 2 297.362 1.823 20 30 CDEDLO CCn1ccnc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000366352888 523536511 /nfs/dbraw/zinc/53/65/11/523536511.db2.gz HGSAXOGSFYPSOG-CQSZACIVSA-N 1 2 297.362 1.823 20 30 CDEDLO Cc1cccn2c(=O)cc(C[NH2+][C@@H]3CCC[C@H]3C#N)nc12 ZINC000332122001 534842839 /nfs/dbraw/zinc/84/28/39/534842839.db2.gz HSTSWXMKYUTDCJ-GXTWGEPZSA-N 1 2 282.347 1.785 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCC[N@@H+]1CCO[C@H](CC)C1)OCC ZINC000347628646 526812641 /nfs/dbraw/zinc/81/26/41/526812641.db2.gz ZBHFBDNLEPPGQB-CABCVRRESA-N 1 2 298.427 1.585 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCC[N@H+]1CCO[C@H](CC)C1)OCC ZINC000347628646 526812643 /nfs/dbraw/zinc/81/26/43/526812643.db2.gz ZBHFBDNLEPPGQB-CABCVRRESA-N 1 2 298.427 1.585 20 30 CDEDLO CC(C)(CNC(=O)N[C@@]1(C)CCCOC1)[NH+]1CCOCC1 ZINC000329142772 526949101 /nfs/dbraw/zinc/94/91/01/526949101.db2.gz LMXJXRNPSMSITD-HNNXBMFYSA-N 1 2 299.415 1.170 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000350464822 527047466 /nfs/dbraw/zinc/04/74/66/527047466.db2.gz XTRLLFMSIKHKHN-NEPJUHHUSA-N 1 2 262.357 1.852 20 30 CDEDLO C=CCCC1(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000355806281 527094422 /nfs/dbraw/zinc/09/44/22/527094422.db2.gz WGWOCZWJLQWDJB-CQSZACIVSA-N 1 2 279.428 1.485 20 30 CDEDLO C=CCCCCCN(C)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000352276375 527126299 /nfs/dbraw/zinc/12/62/99/527126299.db2.gz UQSIXVFVYLSLHX-HNNXBMFYSA-N 1 2 281.444 1.827 20 30 CDEDLO Cn1cc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)cn1 ZINC000339220411 527204362 /nfs/dbraw/zinc/20/43/62/527204362.db2.gz VXMXJFRUDALAMJ-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000356060148 527541213 /nfs/dbraw/zinc/54/12/13/527541213.db2.gz OUONBKJDWXIYPD-DZGCQCFKSA-N 1 2 276.336 1.388 20 30 CDEDLO CC1=CC[N@H+](CCNC(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC000329046613 528115216 /nfs/dbraw/zinc/11/52/16/528115216.db2.gz QBSLNFOFJQMYGK-GFCCVEGCSA-N 1 2 289.383 1.518 20 30 CDEDLO CC1=CC[N@@H+](CCNC(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC000329046613 528115221 /nfs/dbraw/zinc/11/52/21/528115221.db2.gz QBSLNFOFJQMYGK-GFCCVEGCSA-N 1 2 289.383 1.518 20 30 CDEDLO CC1=CC[N@H+](CCNC(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC000329046613 528115228 /nfs/dbraw/zinc/11/52/28/528115228.db2.gz QBSLNFOFJQMYGK-GFCCVEGCSA-N 1 2 289.383 1.518 20 30 CDEDLO CC1=CC[N@@H+](CCNC(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC000329046613 528115232 /nfs/dbraw/zinc/11/52/32/528115232.db2.gz QBSLNFOFJQMYGK-GFCCVEGCSA-N 1 2 289.383 1.518 20 30 CDEDLO O=C(Cc1cn2ccccc2[nH+]1)N[C@@H]1CCCNC1=O ZINC000328712150 538347303 /nfs/dbraw/zinc/34/73/03/538347303.db2.gz CFQGTOZYGVRWLJ-LLVKDONJSA-N 1 2 272.308 1.952 20 30 CDEDLO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1n[nH]c(=O)[nH]1 ZINC000329285419 538555623 /nfs/dbraw/zinc/55/56/23/538555623.db2.gz OHFPSVKJOZFFAB-VIFPVBQESA-N 1 2 267.333 1.231 20 30 CDEDLO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1n[nH]c(=O)[nH]1 ZINC000329285419 538555628 /nfs/dbraw/zinc/55/56/28/538555628.db2.gz OHFPSVKJOZFFAB-VIFPVBQESA-N 1 2 267.333 1.231 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)nc1 ZINC000728863542 574662961 /nfs/dbraw/zinc/66/29/61/574662961.db2.gz WAICWBASEZBKNC-UHFFFAOYSA-N 1 2 280.331 1.737 20 30 CDEDLO COc1ccc(O)c(/C=N\CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC000729149613 574722882 /nfs/dbraw/zinc/72/28/82/574722882.db2.gz MJTIAAGWZXQJJP-KPENOIPVSA-N 1 2 278.352 1.540 20 30 CDEDLO COc1ccc(O)c(/C=N\CC[N@H+]2CCOC[C@@H]2C)c1 ZINC000729149613 574722883 /nfs/dbraw/zinc/72/28/83/574722883.db2.gz MJTIAAGWZXQJJP-KPENOIPVSA-N 1 2 278.352 1.540 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCc2occc21 ZINC000730275415 574908378 /nfs/dbraw/zinc/90/83/78/574908378.db2.gz DZKRLQIGZBEDQL-KBPBESRZSA-N 1 2 272.348 1.871 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCc2occc21 ZINC000730275415 574908379 /nfs/dbraw/zinc/90/83/79/574908379.db2.gz DZKRLQIGZBEDQL-KBPBESRZSA-N 1 2 272.348 1.871 20 30 CDEDLO C#Cc1cccc(NC(=O)CNC(=O)c2c[nH+]c(C)[nH]2)c1 ZINC000731870789 575067160 /nfs/dbraw/zinc/06/71/60/575067160.db2.gz PBNMZGUFFXTBPC-UHFFFAOYSA-N 1 2 282.303 1.068 20 30 CDEDLO CCOc1ccc(/C=[NH+]\CCN2C(=O)CCC2=O)c(O)c1 ZINC000733749843 575137653 /nfs/dbraw/zinc/13/76/53/575137653.db2.gz BJCAPYZDFZFXIQ-YBEGLDIGSA-N 1 2 290.319 1.359 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000733781191 575138925 /nfs/dbraw/zinc/13/89/25/575138925.db2.gz ZXEVFJDWFWWJNH-AWEZNQCLSA-N 1 2 283.331 1.217 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000733781191 575138927 /nfs/dbraw/zinc/13/89/27/575138927.db2.gz ZXEVFJDWFWWJNH-AWEZNQCLSA-N 1 2 283.331 1.217 20 30 CDEDLO C[C@@H]1OCCC1N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761844490 576597318 /nfs/dbraw/zinc/59/73/18/576597318.db2.gz AIUMDAKCOMVEEQ-VIFPVBQESA-N 1 2 258.285 1.239 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000734840211 575390727 /nfs/dbraw/zinc/39/07/27/575390727.db2.gz ZGPGARQIODHVJQ-OAHLLOKOSA-N 1 2 288.416 1.834 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000734840211 575390728 /nfs/dbraw/zinc/39/07/28/575390728.db2.gz ZGPGARQIODHVJQ-OAHLLOKOSA-N 1 2 288.416 1.834 20 30 CDEDLO C=CC[N@H+](CN1C(=O)NC(C2CC2)(C2CC2)C1=O)C1CC1 ZINC000771640694 575599687 /nfs/dbraw/zinc/59/96/87/575599687.db2.gz QNDSROFJZFWTHJ-UHFFFAOYSA-N 1 2 289.379 1.705 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)NC(C2CC2)(C2CC2)C1=O)C1CC1 ZINC000771640694 575599688 /nfs/dbraw/zinc/59/96/88/575599688.db2.gz QNDSROFJZFWTHJ-UHFFFAOYSA-N 1 2 289.379 1.705 20 30 CDEDLO N#CCOc1ccccc1C(=O)OCCn1cc[nH+]c1 ZINC000771932576 575638813 /nfs/dbraw/zinc/63/88/13/575638813.db2.gz GTRCFDMISHKJOY-UHFFFAOYSA-N 1 2 271.276 1.642 20 30 CDEDLO C#C[C@@H](Nc1cc(-n2cc[nH+]c2)ncn1)[C@H]1CCCO1 ZINC000772255814 575677281 /nfs/dbraw/zinc/67/72/81/575677281.db2.gz LEVLWPSLOGZTDA-VXGBXAGGSA-N 1 2 269.308 1.255 20 30 CDEDLO N#Cc1ccc(CNc2cc(N3CCCC3)nc[nH+]2)nc1 ZINC000764901215 575962509 /nfs/dbraw/zinc/96/25/09/575962509.db2.gz XGJBODXABJTKRE-UHFFFAOYSA-N 1 2 280.335 1.956 20 30 CDEDLO N#Cc1ccc(CNc2cc(N3CCCC3)[nH+]cn2)nc1 ZINC000764901215 575962512 /nfs/dbraw/zinc/96/25/12/575962512.db2.gz XGJBODXABJTKRE-UHFFFAOYSA-N 1 2 280.335 1.956 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@](C)(O)c1cccs1 ZINC000740170059 576434245 /nfs/dbraw/zinc/43/42/45/576434245.db2.gz NHQQCLWXEBMLFC-SWLSCSKDSA-N 1 2 292.404 1.169 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@](C)(O)c1cccs1 ZINC000740170059 576434250 /nfs/dbraw/zinc/43/42/50/576434250.db2.gz NHQQCLWXEBMLFC-SWLSCSKDSA-N 1 2 292.404 1.169 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2nc(C)n3ccccc23)CC1 ZINC000741215650 576543542 /nfs/dbraw/zinc/54/35/42/576543542.db2.gz KSJHGEBKDRNADF-UHFFFAOYSA-N 1 2 282.347 1.034 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2ccsc2)CC1 ZINC000744423009 576679730 /nfs/dbraw/zinc/67/97/30/576679730.db2.gz RAPYHWSOBVCWQC-ARJAWSKDSA-N 1 2 260.362 1.539 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CCOc2ccccc2F)CC1 ZINC000744425542 576680071 /nfs/dbraw/zinc/68/00/71/576680071.db2.gz PMUSLERYWSANSG-UHFFFAOYSA-N 1 2 290.338 1.372 20 30 CDEDLO CC#CC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000763945663 576767415 /nfs/dbraw/zinc/76/74/15/576767415.db2.gz AXZVTDGKGSEZIJ-UHFFFAOYSA-N 1 2 272.348 1.233 20 30 CDEDLO CC#CC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000764058720 576776834 /nfs/dbraw/zinc/77/68/34/576776834.db2.gz QMKZYSAPMFIXTF-AWEZNQCLSA-N 1 2 271.295 1.788 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)[C@@H](CC)SC)CC1 ZINC000746821236 576791299 /nfs/dbraw/zinc/79/12/99/576791299.db2.gz OACYFMPOTCZXMN-GFCCVEGCSA-N 1 2 254.399 1.296 20 30 CDEDLO C=CCNC(=S)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000753905853 576865522 /nfs/dbraw/zinc/86/55/22/576865522.db2.gz NFOWVRUQSCWKEU-UHFFFAOYSA-N 1 2 298.481 1.546 20 30 CDEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1sccc1C(N)=O ZINC000754013891 576873466 /nfs/dbraw/zinc/87/34/66/576873466.db2.gz JEGRWEQUYHULOR-SNVBAGLBSA-N 1 2 293.392 1.848 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(O)c1 ZINC000747940192 576889668 /nfs/dbraw/zinc/88/96/68/576889668.db2.gz QUUUUWWPHQHWQP-ZDUSSCGKSA-N 1 2 258.321 1.737 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(O)c1 ZINC000747940192 576889669 /nfs/dbraw/zinc/88/96/69/576889669.db2.gz QUUUUWWPHQHWQP-ZDUSSCGKSA-N 1 2 258.321 1.737 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CN(C)c2ccc(C)cc2C)CC1 ZINC000748812739 576926194 /nfs/dbraw/zinc/92/61/94/576926194.db2.gz FIBNOLBVWZKOHM-UHFFFAOYSA-N 1 2 299.418 1.517 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000755262887 576937874 /nfs/dbraw/zinc/93/78/74/576937874.db2.gz NONWOTKAIIHWEQ-INIZCTEOSA-N 1 2 286.375 1.069 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000755262887 576937875 /nfs/dbraw/zinc/93/78/75/576937875.db2.gz NONWOTKAIIHWEQ-INIZCTEOSA-N 1 2 286.375 1.069 20 30 CDEDLO Cc1ncc(CO)c(/C=[NH+]/CCCNC(=O)C(C)C)c1O ZINC000755377106 576942042 /nfs/dbraw/zinc/94/20/42/576942042.db2.gz WWBQTAHZZQVHIX-LZYBPNLTSA-N 1 2 293.367 1.169 20 30 CDEDLO C=CC[N@H+](C[C@@H]1CC1(Cl)Cl)[C@H]1CCS(=O)(=O)C1 ZINC000749297796 576942623 /nfs/dbraw/zinc/94/26/23/576942623.db2.gz NCWYLVJANUFIDI-UWVGGRQHSA-N 1 2 298.235 1.855 20 30 CDEDLO C=CC[N@@H+](C[C@@H]1CC1(Cl)Cl)[C@H]1CCS(=O)(=O)C1 ZINC000749297796 576942621 /nfs/dbraw/zinc/94/26/21/576942621.db2.gz NCWYLVJANUFIDI-UWVGGRQHSA-N 1 2 298.235 1.855 20 30 CDEDLO Cc1nc2sccc2c(=O)n1N=Cc1c[nH+]cn1C ZINC000755607432 576951753 /nfs/dbraw/zinc/95/17/53/576951753.db2.gz ZJYDJROSBCVRJS-UHFFFAOYSA-N 1 2 273.321 1.382 20 30 CDEDLO Cc1ccc2[nH+]cc(CN=Nc3nccn(C)c3=O)n2c1 ZINC000755756713 576959191 /nfs/dbraw/zinc/95/91/91/576959191.db2.gz YYSNJBASXFIFAN-UHFFFAOYSA-N 1 2 282.307 1.182 20 30 CDEDLO C[C@H]1C[N@@H+](C2CC2)CC1=NNS(=O)(=O)c1ccccc1 ZINC000755871813 576965109 /nfs/dbraw/zinc/96/51/09/576965109.db2.gz LCCPVSFCQSZNFS-NSHDSACASA-N 1 2 293.392 1.435 20 30 CDEDLO C[C@H]1C[N@H+](C2CC2)CC1=NNS(=O)(=O)c1ccccc1 ZINC000755871813 576965110 /nfs/dbraw/zinc/96/51/10/576965110.db2.gz LCCPVSFCQSZNFS-NSHDSACASA-N 1 2 293.392 1.435 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000819845270 607059622 /nfs/dbraw/zinc/05/96/22/607059622.db2.gz SSTXSXRRVKXTRU-VIFPVBQESA-N 1 2 274.303 1.597 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000819845270 607059619 /nfs/dbraw/zinc/05/96/19/607059619.db2.gz SSTXSXRRVKXTRU-VIFPVBQESA-N 1 2 274.303 1.597 20 30 CDEDLO C=CC[C@@H]1CCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000890546654 617202848 /nfs/dbraw/zinc/20/28/48/617202848.db2.gz QVUZUNRCJJFYLQ-KFWWJZLASA-N 1 2 294.395 1.043 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc3nc[nH]c3n2)C1 ZINC000950609659 612992193 /nfs/dbraw/zinc/99/21/93/612992193.db2.gz ZQBNEGRCGBZMFN-UHFFFAOYSA-N 1 2 297.362 1.128 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2n[nH]c(CC)c2Cl)CC1 ZINC000948818733 613011157 /nfs/dbraw/zinc/01/11/57/613011157.db2.gz MXPPWOUDTASPAJ-UHFFFAOYSA-N 1 2 294.786 1.407 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C)C3CC3)CC2)C1 ZINC000949331860 613210594 /nfs/dbraw/zinc/21/05/94/613210594.db2.gz GYLPLJAUSAQIDY-AWEZNQCLSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)C3CC3)CC2)C1 ZINC000949331860 613210595 /nfs/dbraw/zinc/21/05/95/613210595.db2.gz GYLPLJAUSAQIDY-AWEZNQCLSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCC3CCC3)C2)C1 ZINC000972321773 613210946 /nfs/dbraw/zinc/21/09/46/613210946.db2.gz XGCMTVKOARHKRO-KRWDZBQOSA-N 1 2 290.407 1.503 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCC3CCC3)C2)C1 ZINC000972321773 613210948 /nfs/dbraw/zinc/21/09/48/613210948.db2.gz XGCMTVKOARHKRO-KRWDZBQOSA-N 1 2 290.407 1.503 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C3CCC3)C2)C1 ZINC000972430173 613212536 /nfs/dbraw/zinc/21/25/36/613212536.db2.gz BIJWHDUJBRDYDC-WMLDXEAASA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C3CCC3)C2)C1 ZINC000972430173 613212539 /nfs/dbraw/zinc/21/25/39/613212539.db2.gz BIJWHDUJBRDYDC-WMLDXEAASA-N 1 2 290.407 1.359 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC000969570162 613241913 /nfs/dbraw/zinc/24/19/13/613241913.db2.gz JEEQKTRLQLENCP-GFCCVEGCSA-N 1 2 292.383 1.671 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(OC)ns2)C(C)(C)C1 ZINC000974599293 613283354 /nfs/dbraw/zinc/28/33/54/613283354.db2.gz XNUNIAHTEUUUAB-LLVKDONJSA-N 1 2 293.392 1.225 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)ns2)C(C)(C)C1 ZINC000974599293 613283355 /nfs/dbraw/zinc/28/33/55/613283355.db2.gz XNUNIAHTEUUUAB-LLVKDONJSA-N 1 2 293.392 1.225 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnc(C)cn2)C1 ZINC000949604592 613296875 /nfs/dbraw/zinc/29/68/75/613296875.db2.gz HPYTXOAFLDEBFN-UHFFFAOYSA-N 1 2 274.368 1.507 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccnnc2)C1 ZINC000952344870 613297078 /nfs/dbraw/zinc/29/70/78/613297078.db2.gz RRBGYEVDZBFFGS-UHFFFAOYSA-N 1 2 260.341 1.199 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2CC)CC1 ZINC000957099278 613315592 /nfs/dbraw/zinc/31/55/92/613315592.db2.gz PMMTUOJGTUJBSY-AWEZNQCLSA-N 1 2 293.411 1.108 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(C(F)F)n(C)n2)CC1 ZINC000949295896 613319979 /nfs/dbraw/zinc/31/99/79/613319979.db2.gz GUISNOLKQQLICT-UHFFFAOYSA-N 1 2 298.337 1.692 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnc3nccnc3c2)CC1 ZINC000948797968 613321659 /nfs/dbraw/zinc/32/16/59/613321659.db2.gz GQJGBHGZTDWOHN-UHFFFAOYSA-N 1 2 297.362 1.359 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCOC2)C1 ZINC000969366572 613371674 /nfs/dbraw/zinc/37/16/74/613371674.db2.gz WBBTUHKAUAAZJG-GHMZBOCLSA-N 1 2 272.776 1.212 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cncnc2)C1 ZINC000969538010 613371925 /nfs/dbraw/zinc/37/19/25/613371925.db2.gz BTEUJOWHYPMMFQ-SNVBAGLBSA-N 1 2 280.759 1.279 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc[nH]c(=O)c2)C1 ZINC000969475583 613372469 /nfs/dbraw/zinc/37/24/69/613372469.db2.gz GWLVKWTXYBHGIG-JTQLQIEISA-N 1 2 295.770 1.590 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2nccs2)C1 ZINC000970636199 613372519 /nfs/dbraw/zinc/37/25/19/613372519.db2.gz HXEOHHPPNHOOBO-VIFPVBQESA-N 1 2 285.800 1.946 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC000980658631 613374022 /nfs/dbraw/zinc/37/40/22/613374022.db2.gz DRCPCLICGZHYER-UHFFFAOYSA-N 1 2 296.758 1.083 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC000980658631 613374023 /nfs/dbraw/zinc/37/40/23/613374023.db2.gz DRCPCLICGZHYER-UHFFFAOYSA-N 1 2 296.758 1.083 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC(=C)Cl)C1 ZINC000970446878 613466224 /nfs/dbraw/zinc/46/62/24/613466224.db2.gz KWMHHSPPDUTWMU-YUTCNCBUSA-N 1 2 298.814 1.767 20 30 CDEDLO COC(=O)c1ccccc1N[NH+]=Cc1ccc(N)nc1 ZINC000807979468 617372668 /nfs/dbraw/zinc/37/26/68/617372668.db2.gz AEXBVSVJPQSYLV-UHFFFAOYSA-N 1 2 270.292 1.896 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2c[nH]c3ncccc23)CC1 ZINC000957694520 613566785 /nfs/dbraw/zinc/56/67/85/613566785.db2.gz XKDXPSDJSKZIMQ-UHFFFAOYSA-N 1 2 282.347 1.344 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC000950927658 613654381 /nfs/dbraw/zinc/65/43/81/613654381.db2.gz VJRJYXANQPXJBT-KGLIPLIRSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2CCO[C@H](CC)C2)CC1 ZINC000957106973 613709341 /nfs/dbraw/zinc/70/93/41/613709341.db2.gz IWTQKIIDZKTPRZ-LSDHHAIUSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc(F)c(F)c2)CC1 ZINC000949922208 613709478 /nfs/dbraw/zinc/70/94/78/613709478.db2.gz ZBWYSDKDDLYWBC-UHFFFAOYSA-N 1 2 280.318 1.838 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2Oc3ccccc3[C@@H]2C)CC1 ZINC000957918207 613711652 /nfs/dbraw/zinc/71/16/52/613711652.db2.gz XBFRJKIQKWBKDV-XJKSGUPXSA-N 1 2 286.375 1.881 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CC=CC3)C2)C1 ZINC000972308144 613722996 /nfs/dbraw/zinc/72/29/96/613722996.db2.gz IGVDGSLCAKYCEZ-INIZCTEOSA-N 1 2 276.380 1.442 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CC=CC3)C2)C1 ZINC000972308144 613722997 /nfs/dbraw/zinc/72/29/97/613722997.db2.gz IGVDGSLCAKYCEZ-INIZCTEOSA-N 1 2 276.380 1.442 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC3(C)C)C2)C1 ZINC000972509183 613724500 /nfs/dbraw/zinc/72/45/00/613724500.db2.gz BDJMUSVCTRZWQQ-PBHICJAKSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC3(C)C)C2)C1 ZINC000972509183 613724504 /nfs/dbraw/zinc/72/45/04/613724504.db2.gz BDJMUSVCTRZWQQ-PBHICJAKSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC3CC3)C2)C1 ZINC000972210579 613725666 /nfs/dbraw/zinc/72/56/66/613725666.db2.gz IFXYZXYFDBTUBA-OAHLLOKOSA-N 1 2 264.369 1.276 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CC3CC3)C2)C1 ZINC000972210579 613725667 /nfs/dbraw/zinc/72/56/67/613725667.db2.gz IFXYZXYFDBTUBA-OAHLLOKOSA-N 1 2 264.369 1.276 20 30 CDEDLO Cc1nn(C)c(NC(=O)C[C@H](C)n2cc[nH+]c2)c1C#N ZINC000892619119 617538387 /nfs/dbraw/zinc/53/83/87/617538387.db2.gz FSXJSPUOGLUEED-VIFPVBQESA-N 1 2 272.312 1.387 20 30 CDEDLO C#CCN(C(=O)N[C@H](CC)C[NH+]1CCOCC1)C(C)C ZINC000925610151 617554332 /nfs/dbraw/zinc/55/43/32/617554332.db2.gz CPACONUDIDOMMM-CQSZACIVSA-N 1 2 281.400 1.150 20 30 CDEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@@H]3CO)o2)c1 ZINC000934025073 617846349 /nfs/dbraw/zinc/84/63/49/617846349.db2.gz YPRWJYXRDOIGFM-GFCCVEGCSA-N 1 2 270.292 1.175 20 30 CDEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@@H]3CO)o2)c1 ZINC000934025073 617846352 /nfs/dbraw/zinc/84/63/52/617846352.db2.gz YPRWJYXRDOIGFM-GFCCVEGCSA-N 1 2 270.292 1.175 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)C(=O)OC ZINC000894191684 618684960 /nfs/dbraw/zinc/68/49/60/618684960.db2.gz CJCXEHIFVNETRF-XJFOESAGSA-N 1 2 267.369 1.899 20 30 CDEDLO CNc1cc(N(C)C[C@@H](O)c2cccc(C#N)c2)nc[nH+]1 ZINC000894380701 618836846 /nfs/dbraw/zinc/83/68/46/618836846.db2.gz KTMJGJMFDFOZIL-CYBMUJFWSA-N 1 2 283.335 1.560 20 30 CDEDLO CNc1cc(N(C)C[C@@H](O)c2cccc(C#N)c2)[nH+]cn1 ZINC000894380701 618836849 /nfs/dbraw/zinc/83/68/49/618836849.db2.gz KTMJGJMFDFOZIL-CYBMUJFWSA-N 1 2 283.335 1.560 20 30 CDEDLO CCc1cc(N2CCN(CCC#N)CC2)nc(CC)[nH+]1 ZINC000895027644 619217085 /nfs/dbraw/zinc/21/70/85/619217085.db2.gz ZERXRKGBMJDDAF-UHFFFAOYSA-N 1 2 273.384 1.637 20 30 CDEDLO Cn1c(N)nc(Cl)c1C=[NH+]OCc1cccnc1 ZINC000814884405 619285403 /nfs/dbraw/zinc/28/54/03/619285403.db2.gz WUFTYYSDQFHBMY-UHFFFAOYSA-N 1 2 265.704 1.601 20 30 CDEDLO Cc1cc(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)ccc1C#N ZINC000895118937 619313874 /nfs/dbraw/zinc/31/38/74/619313874.db2.gz RUUUSNBMQWRJMV-FRRDWIJNSA-N 1 2 271.364 1.964 20 30 CDEDLO Cc1cc(C[N@@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)ccc1C#N ZINC000895118937 619313875 /nfs/dbraw/zinc/31/38/75/619313875.db2.gz RUUUSNBMQWRJMV-FRRDWIJNSA-N 1 2 271.364 1.964 20 30 CDEDLO COc1cccc(OC)c1C[NH2+][C@H]1CCCN(O)C1=O ZINC000895159382 619376715 /nfs/dbraw/zinc/37/67/15/619376715.db2.gz UPCFZIXYSPBKRA-NSHDSACASA-N 1 2 280.324 1.174 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)Nc1nc(C)ccc1C#N ZINC000895802493 619852472 /nfs/dbraw/zinc/85/24/72/619852472.db2.gz UHMYTWFIFIVHOE-CQSZACIVSA-N 1 2 274.368 1.784 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@@](C(=O)OCC)(C(C)C)CC1=O ZINC000795452759 619886281 /nfs/dbraw/zinc/88/62/81/619886281.db2.gz OVLUSLVEAFCVDE-CZUORRHYSA-N 1 2 294.395 1.335 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@@](C(=O)OCC)(C(C)C)CC1=O ZINC000795452759 619886284 /nfs/dbraw/zinc/88/62/84/619886284.db2.gz OVLUSLVEAFCVDE-CZUORRHYSA-N 1 2 294.395 1.335 20 30 CDEDLO CCn1c[nH+]c2c1CCN(c1ccncc1C#N)C2 ZINC000896660084 620181570 /nfs/dbraw/zinc/18/15/70/620181570.db2.gz JXPLTCLBGWDXIG-UHFFFAOYSA-N 1 2 253.309 1.732 20 30 CDEDLO C#CC[N@H+](Cc1cn(Cc2cccnc2)nn1)C(C)C ZINC000897170792 620402808 /nfs/dbraw/zinc/40/28/08/620402808.db2.gz IDCHVNKQIJJVDX-UHFFFAOYSA-N 1 2 269.352 1.565 20 30 CDEDLO C#CC[N@@H+](Cc1cn(Cc2cccnc2)nn1)C(C)C ZINC000897170792 620402811 /nfs/dbraw/zinc/40/28/11/620402811.db2.gz IDCHVNKQIJJVDX-UHFFFAOYSA-N 1 2 269.352 1.565 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2ccc3nonc3c2)nn1 ZINC000897990705 621274769 /nfs/dbraw/zinc/27/47/69/621274769.db2.gz XVEFOIVLBGEUFF-UHFFFAOYSA-N 1 2 284.323 1.680 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N[C@@H](Cn1cc[nH+]c1)C(=O)OC ZINC000898081528 621320484 /nfs/dbraw/zinc/32/04/84/621320484.db2.gz JEVZSNIDZFMVOM-RYUDHWBXSA-N 1 2 279.340 1.143 20 30 CDEDLO C=CCC1(O)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000899592705 622320610 /nfs/dbraw/zinc/32/06/10/622320610.db2.gz XBYHAWJCKGSWDO-ZDUSSCGKSA-N 1 2 289.379 1.375 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)c2ccc(C)cc2)C1 ZINC000902728908 625275198 /nfs/dbraw/zinc/27/51/98/625275198.db2.gz CCGOSXYMQKNDHH-HNNXBMFYSA-N 1 2 284.359 1.392 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)c2ccc(C)cc2)C1 ZINC000902728908 625275223 /nfs/dbraw/zinc/27/52/23/625275223.db2.gz CCGOSXYMQKNDHH-HNNXBMFYSA-N 1 2 284.359 1.392 20 30 CDEDLO C=CC[C@H]([NH2+]C1CCN(C(=O)OCC)CC1)C(=O)OC ZINC000905748852 626944633 /nfs/dbraw/zinc/94/46/33/626944633.db2.gz YMLHTRNUOGMLLF-LBPRGKRZSA-N 1 2 284.356 1.315 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc(NC)s2)C1 ZINC000923594932 630632611 /nfs/dbraw/zinc/63/26/11/630632611.db2.gz OLXUEGXBXZBPIK-JTQLQIEISA-N 1 2 278.381 1.012 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc(NC)s2)C1 ZINC000923594932 630632614 /nfs/dbraw/zinc/63/26/14/630632614.db2.gz OLXUEGXBXZBPIK-JTQLQIEISA-N 1 2 278.381 1.012 20 30 CDEDLO COC(=O)[C@@H]1CSCC[N@@H+]1CCCC(C)(C)C#N ZINC000887074255 711684619 /nfs/dbraw/zinc/68/46/19/711684619.db2.gz RNROUSNBCKIJQQ-NSHDSACASA-N 1 2 270.398 1.907 20 30 CDEDLO COC(=O)[C@@H]1CSCC[N@H+]1CCCC(C)(C)C#N ZINC000887074255 711684621 /nfs/dbraw/zinc/68/46/21/711684621.db2.gz RNROUSNBCKIJQQ-NSHDSACASA-N 1 2 270.398 1.907 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccnnc1C ZINC001690957524 1158457046 /nfs/dbraw/zinc/45/70/46/1158457046.db2.gz LHPZUHXHGWASQH-UHFFFAOYSA-N 1 2 268.748 1.199 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccnnc1C ZINC001690957524 1158457050 /nfs/dbraw/zinc/45/70/50/1158457050.db2.gz LHPZUHXHGWASQH-UHFFFAOYSA-N 1 2 268.748 1.199 20 30 CDEDLO C=CCC[C@H](O)C[NH2+]C1(C(=O)OCC)CCCC1 ZINC000128959542 1158901846 /nfs/dbraw/zinc/90/18/46/1158901846.db2.gz BRIYOGNARQBOEK-LBPRGKRZSA-N 1 2 255.358 1.779 20 30 CDEDLO CN1CCN(C(=[NH2+])Nc2ncc(Cl)cc2C#N)CC1 ZINC001157915508 1162546175 /nfs/dbraw/zinc/54/61/75/1162546175.db2.gz QNRNUMUKZQXCEG-UHFFFAOYSA-N 1 2 278.747 1.201 20 30 CDEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@@H](CC)CCC)C1 ZINC001755337771 1159837219 /nfs/dbraw/zinc/83/72/19/1159837219.db2.gz SXLBSEDMMDDCDW-AWEZNQCLSA-N 1 2 282.428 1.942 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)COC ZINC001752814605 1160498207 /nfs/dbraw/zinc/49/82/07/1160498207.db2.gz VAWUUFMTXCMFSD-NSHDSACASA-N 1 2 260.765 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)COC ZINC001752814605 1160498212 /nfs/dbraw/zinc/49/82/12/1160498212.db2.gz VAWUUFMTXCMFSD-NSHDSACASA-N 1 2 260.765 1.356 20 30 CDEDLO C#Cc1cncc(C(=O)NC[C@@H](C)Nc2cc[nH+]c(C)n2)c1 ZINC001098254772 1160941726 /nfs/dbraw/zinc/94/17/26/1160941726.db2.gz UAFDFPSQKBHLIY-LLVKDONJSA-N 1 2 295.346 1.392 20 30 CDEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cccnc2F)C1=O ZINC001273401600 1161961126 /nfs/dbraw/zinc/96/11/26/1161961126.db2.gz ZPVFTQRZYBZOTH-INIZCTEOSA-N 1 2 287.338 1.421 20 30 CDEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cccnc2F)C1=O ZINC001273401600 1161961130 /nfs/dbraw/zinc/96/11/30/1161961130.db2.gz ZPVFTQRZYBZOTH-INIZCTEOSA-N 1 2 287.338 1.421 20 30 CDEDLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)Nc1ccc(C#N)nc1 ZINC001113314954 1162152649 /nfs/dbraw/zinc/15/26/49/1162152649.db2.gz WQCKYVDYEUTGFC-GHMZBOCLSA-N 1 2 298.350 1.224 20 30 CDEDLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)Nc1ncccc1C#N ZINC001113314720 1162152687 /nfs/dbraw/zinc/15/26/87/1162152687.db2.gz VJHFITFQCNVGBU-GHMZBOCLSA-N 1 2 298.350 1.224 20 30 CDEDLO C[N@H+](CCCn1cc[nH+]c1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001606125771 1163780400 /nfs/dbraw/zinc/78/04/00/1163780400.db2.gz RSILHQOMKMQGTQ-OAHLLOKOSA-N 1 2 298.346 1.903 20 30 CDEDLO C[N@@H+](CCCn1cc[nH+]c1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001606125771 1163780405 /nfs/dbraw/zinc/78/04/05/1163780405.db2.gz RSILHQOMKMQGTQ-OAHLLOKOSA-N 1 2 298.346 1.903 20 30 CDEDLO C[N@H+](C[C@H](O)c1cccc(-c2nn[nH]n2)c1)CC1(C#N)CC1 ZINC001609273471 1164876253 /nfs/dbraw/zinc/87/62/53/1164876253.db2.gz MZKICTGNQQSOOW-ZDUSSCGKSA-N 1 2 298.350 1.136 20 30 CDEDLO C[N@@H+](C[C@H](O)c1cccc(-c2nn[nH]n2)c1)CC1(C#N)CC1 ZINC001609273471 1164876260 /nfs/dbraw/zinc/87/62/60/1164876260.db2.gz MZKICTGNQQSOOW-ZDUSSCGKSA-N 1 2 298.350 1.136 20 30 CDEDLO C#Cc1cc(Nc2cccc(C(=O)N(C)OC)c2)cc[nH+]1 ZINC001211388168 1167363988 /nfs/dbraw/zinc/36/39/88/1167363988.db2.gz VKINUJSARMPBQX-UHFFFAOYSA-N 1 2 281.315 1.862 20 30 CDEDLO Cc1cc(NC(=O)CNc2ccc(C#N)cn2)cc[nH+]1 ZINC001565746367 1168164889 /nfs/dbraw/zinc/16/48/89/1168164889.db2.gz LKJICUQFEKPIAO-UHFFFAOYSA-N 1 2 267.292 1.129 20 30 CDEDLO C#CCCCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1c[nH]nn1 ZINC001574867800 1171031571 /nfs/dbraw/zinc/03/15/71/1171031571.db2.gz YZHLDZNHHMDVKI-CHWSQXEVSA-N 1 2 291.399 1.371 20 30 CDEDLO C#CCCCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cn[nH]n1 ZINC001574867800 1171031579 /nfs/dbraw/zinc/03/15/79/1171031579.db2.gz YZHLDZNHHMDVKI-CHWSQXEVSA-N 1 2 291.399 1.371 20 30 CDEDLO Cn1c[nH+]cc1C1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC001650602221 1171230210 /nfs/dbraw/zinc/23/02/10/1171230210.db2.gz BHLOFZKLBUZOTG-UHFFFAOYSA-N 1 2 272.352 1.820 20 30 CDEDLO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)CC(C)(C)C#N ZINC001591134757 1173573782 /nfs/dbraw/zinc/57/37/82/1173573782.db2.gz AZXDPJUMFBGEGE-UHFFFAOYSA-N 1 2 270.340 1.848 20 30 CDEDLO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)CC(C)(C)C#N ZINC001591134757 1173573787 /nfs/dbraw/zinc/57/37/87/1173573787.db2.gz AZXDPJUMFBGEGE-UHFFFAOYSA-N 1 2 270.340 1.848 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cccc(=O)[nH]1 ZINC001731764798 1182556669 /nfs/dbraw/zinc/55/66/69/1182556669.db2.gz CYBGYRSMAUYYPR-UHFFFAOYSA-N 1 2 269.732 1.201 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cccc(=O)[nH]1 ZINC001731764798 1182556673 /nfs/dbraw/zinc/55/66/73/1182556673.db2.gz CYBGYRSMAUYYPR-UHFFFAOYSA-N 1 2 269.732 1.201 20 30 CDEDLO C=CCC(C)(C)C(=O)NCCC[N@@H+](C)Cc1cnon1 ZINC001752075191 1184815733 /nfs/dbraw/zinc/81/57/33/1184815733.db2.gz MLRPXMOJFFLREC-UHFFFAOYSA-N 1 2 280.372 1.610 20 30 CDEDLO C=CCC(C)(C)C(=O)NCCC[N@H+](C)Cc1cnon1 ZINC001752075191 1184815738 /nfs/dbraw/zinc/81/57/38/1184815738.db2.gz MLRPXMOJFFLREC-UHFFFAOYSA-N 1 2 280.372 1.610 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](C)C#N)C1 ZINC001753452612 1185215078 /nfs/dbraw/zinc/21/50/78/1185215078.db2.gz BOKXYCUHJJNDFT-CMPLNLGQSA-N 1 2 269.776 1.821 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H](C)C#N)C1 ZINC001753452612 1185215072 /nfs/dbraw/zinc/21/50/72/1185215072.db2.gz BOKXYCUHJJNDFT-CMPLNLGQSA-N 1 2 269.776 1.821 20 30 CDEDLO C=C(C)CCC(=O)NC[C@@H](CC)[NH2+]Cc1nnc(C)o1 ZINC001753475338 1185227944 /nfs/dbraw/zinc/22/79/44/1185227944.db2.gz OTVNLCMKSXGVMN-GFCCVEGCSA-N 1 2 280.372 1.719 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@@H](CC)[NH2+]Cc1nc(C)no1 ZINC001753485604 1185231897 /nfs/dbraw/zinc/23/18/97/1185231897.db2.gz YSSLEOMXXMZKRB-LLVKDONJSA-N 1 2 280.372 1.575 20 30 CDEDLO C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC001754308490 1185540819 /nfs/dbraw/zinc/54/08/19/1185540819.db2.gz AOCMYLPQOXDZNY-IUCAKERBSA-N 1 2 268.254 1.347 20 30 CDEDLO C#CCC[N@H+](C)C[C@H](C)NC(=O)C(F)C(F)(F)F ZINC001754308490 1185540810 /nfs/dbraw/zinc/54/08/10/1185540810.db2.gz AOCMYLPQOXDZNY-IUCAKERBSA-N 1 2 268.254 1.347 20 30 CDEDLO C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC001754308490 1185540815 /nfs/dbraw/zinc/54/08/15/1185540815.db2.gz AOCMYLPQOXDZNY-IUCAKERBSA-N 1 2 268.254 1.347 20 30 CDEDLO C#CCC[N@@H+](C)C[C@H](C)NC(=O)C(F)C(F)(F)F ZINC001754308490 1185540805 /nfs/dbraw/zinc/54/08/05/1185540805.db2.gz AOCMYLPQOXDZNY-IUCAKERBSA-N 1 2 268.254 1.347 20 30 CDEDLO C=CCCOCC(=O)NC[C@@H]1CC[N@H+]1Cc1ocnc1C ZINC001754504770 1185648272 /nfs/dbraw/zinc/64/82/72/1185648272.db2.gz LZIOPFXTLPJDSJ-ZDUSSCGKSA-N 1 2 293.367 1.266 20 30 CDEDLO C=CCCOCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ocnc1C ZINC001754504770 1185648277 /nfs/dbraw/zinc/64/82/77/1185648277.db2.gz LZIOPFXTLPJDSJ-ZDUSSCGKSA-N 1 2 293.367 1.266 20 30 CDEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2cccc(F)c2)C1 ZINC001755329731 1185921556 /nfs/dbraw/zinc/92/15/56/1185921556.db2.gz KAALVWRUAVAFBR-UHFFFAOYSA-N 1 2 290.338 1.016 20 30 CDEDLO C#CCC(C)(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000185460938 711843917 /nfs/dbraw/zinc/84/39/17/711843917.db2.gz IFIHGZVPIJEEGX-UHFFFAOYSA-N 1 2 266.385 1.263 20 30 CDEDLO C#CCC(C)(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000185460938 711843920 /nfs/dbraw/zinc/84/39/20/711843920.db2.gz IFIHGZVPIJEEGX-UHFFFAOYSA-N 1 2 266.385 1.263 20 30 CDEDLO N#CCCNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000359066192 711845226 /nfs/dbraw/zinc/84/52/26/711845226.db2.gz ZDRWGGIYHMQMBV-UHFFFAOYSA-N 1 2 283.335 1.644 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)c2ncccc2c1 ZINC001038828776 711852786 /nfs/dbraw/zinc/85/27/86/711852786.db2.gz DQILNCIEVBQNEQ-CQSZACIVSA-N 1 2 297.333 1.811 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)c2ncccc2c1 ZINC001038828776 711852787 /nfs/dbraw/zinc/85/27/87/711852787.db2.gz DQILNCIEVBQNEQ-CQSZACIVSA-N 1 2 297.333 1.811 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCN(C)C[C@@H]2CO)cc1 ZINC000877643146 711859792 /nfs/dbraw/zinc/85/97/92/711859792.db2.gz AVUQKVPNKMQTLT-UKRRQHHQSA-N 1 2 289.379 1.086 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCN(C)C[C@@H]2CO)cc1 ZINC000877643146 711859793 /nfs/dbraw/zinc/85/97/93/711859793.db2.gz AVUQKVPNKMQTLT-UKRRQHHQSA-N 1 2 289.379 1.086 20 30 CDEDLO C#CC[C@H](CCOC)Nc1[nH+]cnc2c1cnn2C ZINC000858857144 711864389 /nfs/dbraw/zinc/86/43/89/711864389.db2.gz ZBWQBUQYGLQGJJ-SNVBAGLBSA-N 1 2 259.313 1.204 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC001030415637 711881729 /nfs/dbraw/zinc/88/17/29/711881729.db2.gz KRLBNTWHEUJNQS-UHFFFAOYSA-N 1 2 297.362 1.462 20 30 CDEDLO C=C(Cl)CN1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009711035 711904313 /nfs/dbraw/zinc/90/43/13/711904313.db2.gz VJHHLONIHZKTFF-GFCCVEGCSA-N 1 2 282.775 1.216 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CNC(C)=O ZINC001038004480 711920496 /nfs/dbraw/zinc/92/04/96/711920496.db2.gz UXHTZOFBMWCBQL-CQSZACIVSA-N 1 2 273.336 1.277 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CNC(C)=O ZINC001038004480 711920497 /nfs/dbraw/zinc/92/04/97/711920497.db2.gz UXHTZOFBMWCBQL-CQSZACIVSA-N 1 2 273.336 1.277 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]12C[C@H]1CCC2 ZINC001032532214 711931111 /nfs/dbraw/zinc/93/11/11/711931111.db2.gz GHPIAGJCUSOMEP-ORIJERBGSA-N 1 2 258.365 1.485 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]12C[C@H]1CCC2 ZINC001032532214 711931113 /nfs/dbraw/zinc/93/11/13/711931113.db2.gz GHPIAGJCUSOMEP-ORIJERBGSA-N 1 2 258.365 1.485 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnc(C)s2)C1 ZINC001032950646 711934804 /nfs/dbraw/zinc/93/48/04/711934804.db2.gz KSLCJGCZWWSGSL-LLVKDONJSA-N 1 2 263.366 1.231 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc(C)s2)C1 ZINC001032950646 711934806 /nfs/dbraw/zinc/93/48/06/711934806.db2.gz KSLCJGCZWWSGSL-LLVKDONJSA-N 1 2 263.366 1.231 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001030420552 711939922 /nfs/dbraw/zinc/93/99/22/711939922.db2.gz OFXTVRQFSJOTMZ-UHFFFAOYSA-N 1 2 259.353 1.882 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2[nH]cnc2CC)C1 ZINC001033627201 711943964 /nfs/dbraw/zinc/94/39/64/711943964.db2.gz JQBUUAGHPOVHPL-NSHDSACASA-N 1 2 296.802 1.871 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2[nH]cnc2CC)C1 ZINC001033627201 711943965 /nfs/dbraw/zinc/94/39/65/711943965.db2.gz JQBUUAGHPOVHPL-NSHDSACASA-N 1 2 296.802 1.871 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(F)c(F)c2)C1 ZINC001030446911 711944585 /nfs/dbraw/zinc/94/45/85/711944585.db2.gz WZESCRLLDIMZMY-UHFFFAOYSA-N 1 2 264.275 1.402 20 30 CDEDLO C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)c3cnn[nH]3)cc2C1 ZINC001054271944 711952195 /nfs/dbraw/zinc/95/21/95/711952195.db2.gz YYDVJUCASITUPS-UHFFFAOYSA-N 1 2 297.362 1.626 20 30 CDEDLO C=C(C)C[N@H+]1Cc2ccc(CNC(=O)c3cnn[nH]3)cc2C1 ZINC001054271944 711952197 /nfs/dbraw/zinc/95/21/97/711952197.db2.gz YYDVJUCASITUPS-UHFFFAOYSA-N 1 2 297.362 1.626 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCC[C@@H]1CCC ZINC000884123528 711965485 /nfs/dbraw/zinc/96/54/85/711965485.db2.gz WHADZTBNYULSLO-MELADBBJSA-N 1 2 296.411 1.908 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(O)cc2)C1 ZINC000852319155 711972460 /nfs/dbraw/zinc/97/24/60/711972460.db2.gz HKHVZDIMFXKQAH-GFCCVEGCSA-N 1 2 273.336 1.956 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(O)cc2)C1 ZINC000852319155 711972461 /nfs/dbraw/zinc/97/24/61/711972461.db2.gz HKHVZDIMFXKQAH-GFCCVEGCSA-N 1 2 273.336 1.956 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(C)nn(C)c2Cl)C1 ZINC001043499916 711980369 /nfs/dbraw/zinc/98/03/69/711980369.db2.gz MYFMALHSZVBMGB-UHFFFAOYSA-N 1 2 294.786 1.161 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001046543687 711982238 /nfs/dbraw/zinc/98/22/38/711982238.db2.gz IUAMDDNYBCSQDX-IRUJWGPZSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001046543687 711982247 /nfs/dbraw/zinc/98/22/47/711982247.db2.gz IUAMDDNYBCSQDX-IRUJWGPZSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccc3nccn32)C1 ZINC001043328383 711995986 /nfs/dbraw/zinc/99/59/86/711995986.db2.gz LYPCPIQUXDYLPP-UHFFFAOYSA-N 1 2 284.363 1.667 20 30 CDEDLO C#CCC[C@H](O)CNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000799222578 712019130 /nfs/dbraw/zinc/01/91/30/712019130.db2.gz CDHVKJDNFIVMCF-LBPRGKRZSA-N 1 2 290.367 1.352 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccn2C)C1 ZINC001006775034 712022358 /nfs/dbraw/zinc/02/23/58/712022358.db2.gz UDUIAIHADFPGOO-GFCCVEGCSA-N 1 2 281.787 1.972 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccn2C)C1 ZINC001006775034 712022360 /nfs/dbraw/zinc/02/23/60/712022360.db2.gz UDUIAIHADFPGOO-GFCCVEGCSA-N 1 2 281.787 1.972 20 30 CDEDLO C=CC[N@@H+](C)CN1C(=O)C(C)(C)[C@H]1c1cnn(C)c1 ZINC000808180413 712025248 /nfs/dbraw/zinc/02/52/48/712025248.db2.gz KMXRANBIAXUQAG-GFCCVEGCSA-N 1 2 262.357 1.405 20 30 CDEDLO C=CC[N@H+](C)CN1C(=O)C(C)(C)[C@H]1c1cnn(C)c1 ZINC000808180413 712025250 /nfs/dbraw/zinc/02/52/50/712025250.db2.gz KMXRANBIAXUQAG-GFCCVEGCSA-N 1 2 262.357 1.405 20 30 CDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccnnc2)CC1 ZINC001004547336 712030494 /nfs/dbraw/zinc/03/04/94/712030494.db2.gz OOIFOCPWSQFSIX-OAHLLOKOSA-N 1 2 299.378 1.317 20 30 CDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccnnc2)CC1 ZINC001004547336 712030495 /nfs/dbraw/zinc/03/04/95/712030495.db2.gz OOIFOCPWSQFSIX-OAHLLOKOSA-N 1 2 299.378 1.317 20 30 CDEDLO N#Cc1csc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000887977808 712033675 /nfs/dbraw/zinc/03/36/75/712033675.db2.gz WPCOFZMGYOAQIU-SECBINFHSA-N 1 2 287.348 1.090 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccnn2[C@H](C)CC)C1 ZINC001042821100 712034249 /nfs/dbraw/zinc/03/42/49/712034249.db2.gz UACZEDNZFYDNEZ-CYBMUJFWSA-N 1 2 288.395 1.634 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2CCC[C@@H](OC)C2)C1 ZINC001030417784 712051925 /nfs/dbraw/zinc/05/19/25/712051925.db2.gz XJRAFJFNILHOPL-UKRRQHHQSA-N 1 2 280.412 1.958 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1[C@@H]3CCC[C@@H]31)CO2 ZINC001053770054 712069751 /nfs/dbraw/zinc/06/97/51/712069751.db2.gz LDQUNQRKHDTAIX-BYNSBNAKSA-N 1 2 288.391 1.015 20 30 CDEDLO C#CC[C@H](CCOC)NC(=O)CCCn1cc[nH+]c1 ZINC000863787717 712070677 /nfs/dbraw/zinc/07/06/77/712070677.db2.gz VQYNCTVQEWYNJV-CYBMUJFWSA-N 1 2 263.341 1.208 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(-c2ccccc2)cn1 ZINC001038277569 712089813 /nfs/dbraw/zinc/08/98/13/712089813.db2.gz IQXVEDRETRISJF-OAHLLOKOSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(-c2ccccc2)cn1 ZINC001038277569 712089820 /nfs/dbraw/zinc/08/98/20/712089820.db2.gz IQXVEDRETRISJF-OAHLLOKOSA-N 1 2 294.358 1.310 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCC[C@@H]2OC)C1 ZINC001030559726 712102809 /nfs/dbraw/zinc/10/28/09/712102809.db2.gz DHKIWFORXFPKHK-OLZOCXBDSA-N 1 2 252.358 1.178 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC(=O)N[C@H](C)C2)C1 ZINC000950696633 712128146 /nfs/dbraw/zinc/12/81/46/712128146.db2.gz DMOLTLUKYLECBJ-OLZOCXBDSA-N 1 2 293.411 1.010 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H](C)C(C)(C)C ZINC000884087632 712131115 /nfs/dbraw/zinc/13/11/15/712131115.db2.gz JPMLBXOCNSXHIO-MNOVXSKESA-N 1 2 270.373 1.326 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cccc(C)c2)C1 ZINC001035285953 712170369 /nfs/dbraw/zinc/17/03/69/712170369.db2.gz ZPMAXXIOUYVBDX-OAHLLOKOSA-N 1 2 274.364 1.612 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cccc(C)c2)C1 ZINC001035285953 712170372 /nfs/dbraw/zinc/17/03/72/712170372.db2.gz ZPMAXXIOUYVBDX-OAHLLOKOSA-N 1 2 274.364 1.612 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001032407134 712199668 /nfs/dbraw/zinc/19/96/68/712199668.db2.gz MXBBQCFAENXZRA-KKUMJFAQSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001032407134 712199669 /nfs/dbraw/zinc/19/96/69/712199669.db2.gz MXBBQCFAENXZRA-KKUMJFAQSA-N 1 2 290.407 1.500 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnc(C)cn2)C1 ZINC001046116914 712223230 /nfs/dbraw/zinc/22/32/30/712223230.db2.gz DSIJAAMOBWUFJG-CQSZACIVSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnc(C)cn2)C1 ZINC001046116914 712223231 /nfs/dbraw/zinc/22/32/31/712223231.db2.gz DSIJAAMOBWUFJG-CQSZACIVSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(OC)cc2)C1 ZINC001031298033 712224167 /nfs/dbraw/zinc/22/41/67/712224167.db2.gz NTNLUGIJFSQTEC-UHFFFAOYSA-N 1 2 260.337 1.685 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(CC(C)C)[nH]1 ZINC001038251135 712244000 /nfs/dbraw/zinc/24/40/00/712244000.db2.gz PMKCMLIQZNABEI-ZDUSSCGKSA-N 1 2 288.395 1.436 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(CC(C)C)[nH]1 ZINC001038251135 712244003 /nfs/dbraw/zinc/24/40/03/712244003.db2.gz PMKCMLIQZNABEI-ZDUSSCGKSA-N 1 2 288.395 1.436 20 30 CDEDLO C=C(C)C[C@@H](CO)NC(=O)CCCn1cc[nH+]c1 ZINC000882894175 712244012 /nfs/dbraw/zinc/24/40/12/712244012.db2.gz KEOAFOWRYJJUFQ-LBPRGKRZSA-N 1 2 251.330 1.107 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C)cc2F)C1 ZINC001035517910 712251490 /nfs/dbraw/zinc/25/14/90/712251490.db2.gz AZPWHTMXXDNVRQ-ZDUSSCGKSA-N 1 2 292.354 1.751 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C)cc2F)C1 ZINC001035517910 712251492 /nfs/dbraw/zinc/25/14/92/712251492.db2.gz AZPWHTMXXDNVRQ-ZDUSSCGKSA-N 1 2 292.354 1.751 20 30 CDEDLO C[C@H]1C[C@@H](NCC#N)CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000989042127 712258412 /nfs/dbraw/zinc/25/84/12/712258412.db2.gz OPNHUBUPOOVUMB-CMPLNLGQSA-N 1 2 283.335 1.279 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@H](C)CO3)cc2C1 ZINC001054274518 712263456 /nfs/dbraw/zinc/26/34/56/712263456.db2.gz IJAAWPFRFWACJZ-SUMWQHHRSA-N 1 2 298.386 1.677 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@H](C)CO3)cc2C1 ZINC001054274518 712263460 /nfs/dbraw/zinc/26/34/60/712263460.db2.gz IJAAWPFRFWACJZ-SUMWQHHRSA-N 1 2 298.386 1.677 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2sc(CC)nc2C)C1 ZINC000923586547 712263775 /nfs/dbraw/zinc/26/37/75/712263775.db2.gz XCPZXXZFZCTIDT-LBPRGKRZSA-N 1 2 291.420 1.841 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2sc(CC)nc2C)C1 ZINC000923586547 712263778 /nfs/dbraw/zinc/26/37/78/712263778.db2.gz XCPZXXZFZCTIDT-LBPRGKRZSA-N 1 2 291.420 1.841 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1Cc2ccccc2C1 ZINC001032645414 712273855 /nfs/dbraw/zinc/27/38/55/712273855.db2.gz QKBVVPSFHHWSKN-IRXDYDNUSA-N 1 2 280.371 1.320 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1Cc2ccccc2C1 ZINC001032645414 712273857 /nfs/dbraw/zinc/27/38/57/712273857.db2.gz QKBVVPSFHHWSKN-IRXDYDNUSA-N 1 2 280.371 1.320 20 30 CDEDLO Cc1cc(N=NCc2c[nH+]c3n2CCC3)nc(C)n1 ZINC000853290589 712289644 /nfs/dbraw/zinc/28/96/44/712289644.db2.gz BBPNYKXTTGDIPS-UHFFFAOYSA-N 1 2 256.313 1.682 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(C)ccc2OC)C1 ZINC001030631661 712303654 /nfs/dbraw/zinc/30/36/54/712303654.db2.gz ZBINTINFZDDANV-UHFFFAOYSA-N 1 2 274.364 1.994 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(C)cc1 ZINC000884044762 712307209 /nfs/dbraw/zinc/30/72/09/712307209.db2.gz UXRWZTJWQRXTIA-LBPRGKRZSA-N 1 2 262.309 1.380 20 30 CDEDLO C[C@H](CC(=O)OCc1ccnc(C#N)c1)n1cc[nH+]c1 ZINC000845282323 712341938 /nfs/dbraw/zinc/34/19/38/712341938.db2.gz NVSLCOSJEFZTFS-LLVKDONJSA-N 1 2 270.292 1.844 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N([C@@H](C)[C@H](C)CC)C1CC1 ZINC000884128195 712345748 /nfs/dbraw/zinc/34/57/48/712345748.db2.gz WXFNJGJCEKTLCU-DYEKYZERSA-N 1 2 296.411 1.859 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(C)C)[nH]c1=O ZINC001032666898 712346823 /nfs/dbraw/zinc/34/68/23/712346823.db2.gz JEPPXZLUPHERHB-STQMWFEESA-N 1 2 299.374 1.443 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(C)C)[nH]c1=O ZINC001032666898 712346826 /nfs/dbraw/zinc/34/68/26/712346826.db2.gz JEPPXZLUPHERHB-STQMWFEESA-N 1 2 299.374 1.443 20 30 CDEDLO C#CC1CC[NH+](Cc2cccc(S(C)(=O)=O)c2)CC1 ZINC000830351349 712359679 /nfs/dbraw/zinc/35/96/79/712359679.db2.gz PXLADPXQKSYUHD-UHFFFAOYSA-N 1 2 277.389 1.935 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc3cnccc3n2)CC1 ZINC000839576897 712359754 /nfs/dbraw/zinc/35/97/54/712359754.db2.gz RGIQPARCVAEVME-UHFFFAOYSA-N 1 2 294.358 1.411 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCCCN2C(=O)CC)C1 ZINC001030359897 712373476 /nfs/dbraw/zinc/37/34/76/712373476.db2.gz FVOJTHODTVTPDX-CQSZACIVSA-N 1 2 293.411 1.154 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)noc1C ZINC001032272045 712383511 /nfs/dbraw/zinc/38/35/11/712383511.db2.gz HXIYLVQTMKMXIA-RYUDHWBXSA-N 1 2 261.325 1.376 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)noc1C ZINC001032272045 712383514 /nfs/dbraw/zinc/38/35/14/712383514.db2.gz HXIYLVQTMKMXIA-RYUDHWBXSA-N 1 2 261.325 1.376 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cnccn2)C1 ZINC001033736216 712383669 /nfs/dbraw/zinc/38/36/69/712383669.db2.gz JWQDLTCFAOGOLN-GFCCVEGCSA-N 1 2 294.786 1.766 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnccn2)C1 ZINC001033736216 712383671 /nfs/dbraw/zinc/38/36/71/712383671.db2.gz JWQDLTCFAOGOLN-GFCCVEGCSA-N 1 2 294.786 1.766 20 30 CDEDLO C[C@@H](C#N)N(CN1C[C@H](c2c[nH+]cn2C)CC1=O)C1CC1 ZINC000853546683 712385423 /nfs/dbraw/zinc/38/54/23/712385423.db2.gz GWQWVKRPLDGZLV-NWDGAFQWSA-N 1 2 287.367 1.070 20 30 CDEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)C(C)C)C2)CC1 ZINC001052093845 712401072 /nfs/dbraw/zinc/40/10/72/712401072.db2.gz QGVJOHOVSJGOPA-JKSUJKDBSA-N 1 2 291.439 1.130 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001043013642 712402164 /nfs/dbraw/zinc/40/21/64/712402164.db2.gz JJNLXYWDVJSLSE-UHFFFAOYSA-N 1 2 288.351 1.002 20 30 CDEDLO C[N@H+](CCCOc1ccc(C#N)cc1)CCS(C)(=O)=O ZINC000112478221 712402458 /nfs/dbraw/zinc/40/24/58/712402458.db2.gz APCURHSUKLIDHJ-UHFFFAOYSA-N 1 2 296.392 1.304 20 30 CDEDLO C[N@@H+](CCCOc1ccc(C#N)cc1)CCS(C)(=O)=O ZINC000112478221 712402459 /nfs/dbraw/zinc/40/24/59/712402459.db2.gz APCURHSUKLIDHJ-UHFFFAOYSA-N 1 2 296.392 1.304 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncnc2ccsc21 ZINC001032438324 712405347 /nfs/dbraw/zinc/40/53/47/712405347.db2.gz SMRKJKFFKUNUJP-QWRGUYRKSA-N 1 2 298.371 1.223 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncnc2ccsc21 ZINC001032438324 712405348 /nfs/dbraw/zinc/40/53/48/712405348.db2.gz SMRKJKFFKUNUJP-QWRGUYRKSA-N 1 2 298.371 1.223 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)[C@@H]1CCCO1 ZINC000775795173 712413222 /nfs/dbraw/zinc/41/32/22/712413222.db2.gz MRXGBVORRAJHMF-CVEARBPZSA-N 1 2 298.342 1.615 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)c2ccccc2F)C1 ZINC001031119170 712415268 /nfs/dbraw/zinc/41/52/68/712415268.db2.gz IURDFDCGUHIMTR-GFCCVEGCSA-N 1 2 274.339 1.753 20 30 CDEDLO C#CCNC(=O)C[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000775545240 712419128 /nfs/dbraw/zinc/41/91/28/712419128.db2.gz MBVVUGMWQFLXFC-SECBINFHSA-N 1 2 268.719 1.879 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(O)cc(OC)c1 ZINC000781023601 712422615 /nfs/dbraw/zinc/42/26/15/712422615.db2.gz ZVLFCAPLMBESFS-AWEZNQCLSA-N 1 2 274.320 1.437 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(O)cc(OC)c1 ZINC000781023601 712422618 /nfs/dbraw/zinc/42/26/18/712422618.db2.gz ZVLFCAPLMBESFS-AWEZNQCLSA-N 1 2 274.320 1.437 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCO1)O2 ZINC001053564559 712427570 /nfs/dbraw/zinc/42/75/70/712427570.db2.gz CUSAXHGNACVTSO-KGLIPLIRSA-N 1 2 294.395 1.091 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc2sccc21 ZINC001032585610 712433902 /nfs/dbraw/zinc/43/39/02/712433902.db2.gz ORXKSLLBLZBDTL-RYUDHWBXSA-N 1 2 297.383 1.828 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc2sccc21 ZINC001032585610 712433904 /nfs/dbraw/zinc/43/39/04/712433904.db2.gz ORXKSLLBLZBDTL-RYUDHWBXSA-N 1 2 297.383 1.828 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c(C)cc(=O)[nH]c2C)C1 ZINC001044321689 712452473 /nfs/dbraw/zinc/45/24/73/712452473.db2.gz REUPVGBHQVRYQT-UHFFFAOYSA-N 1 2 289.379 1.736 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnc(OCC)cn2)C1 ZINC001044372853 712464556 /nfs/dbraw/zinc/46/45/56/712464556.db2.gz SZKQVWLBHZNECQ-UHFFFAOYSA-N 1 2 290.367 1.208 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2CCC3(CCC3)CO2)C1 ZINC001031293817 712487474 /nfs/dbraw/zinc/48/74/74/712487474.db2.gz PVHUTEIGRFVJOW-AWEZNQCLSA-N 1 2 278.396 1.712 20 30 CDEDLO COc1ccc(CC(N)=[NH+]OCC(=O)NCC(C)C)cc1 ZINC000060455258 712501344 /nfs/dbraw/zinc/50/13/44/712501344.db2.gz VJNHJESYVPJPII-UHFFFAOYSA-N 1 2 293.367 1.299 20 30 CDEDLO CCOC(=O)C(CC)(CC)[NH2+]CCO[C@@H](C)C#N ZINC000795749342 712534162 /nfs/dbraw/zinc/53/41/62/712534162.db2.gz VGFURSOFYPDKBB-NSHDSACASA-N 1 2 256.346 1.627 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)c2cccs2)C1 ZINC001030942997 712534844 /nfs/dbraw/zinc/53/48/44/712534844.db2.gz QVEFKPASUWERQD-NSHDSACASA-N 1 2 262.378 1.675 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001031462639 712537700 /nfs/dbraw/zinc/53/77/00/712537700.db2.gz GASNDIKSGFMOFJ-AWEZNQCLSA-N 1 2 288.778 1.803 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3coc(C)n3)cc2C1 ZINC001054261892 712682385 /nfs/dbraw/zinc/68/23/85/712682385.db2.gz AGFATAVPCXWKDM-UHFFFAOYSA-N 1 2 295.342 1.862 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3coc(C)n3)cc2C1 ZINC001054261892 712682389 /nfs/dbraw/zinc/68/23/89/712682389.db2.gz AGFATAVPCXWKDM-UHFFFAOYSA-N 1 2 295.342 1.862 20 30 CDEDLO C#CC1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC000882533314 712693207 /nfs/dbraw/zinc/69/32/07/712693207.db2.gz SOHRKUBJKBCYLY-GFCCVEGCSA-N 1 2 257.337 1.508 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCCCCC1 ZINC001032311739 712693569 /nfs/dbraw/zinc/69/35/69/712693569.db2.gz NRSVPJQBKWEZOP-GJZGRUSLSA-N 1 2 260.381 1.875 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCCCCC1 ZINC001032311739 712693570 /nfs/dbraw/zinc/69/35/70/712693570.db2.gz NRSVPJQBKWEZOP-GJZGRUSLSA-N 1 2 260.381 1.875 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cn1cc(C(=O)OCC)c(C)n1 ZINC000853620315 712696018 /nfs/dbraw/zinc/69/60/18/712696018.db2.gz YFURIVPYINLICU-UHFFFAOYSA-N 1 2 293.367 1.297 20 30 CDEDLO C#CCC[N@H+](CCOC)Cn1cc(C(=O)OCC)c(C)n1 ZINC000853620315 712696019 /nfs/dbraw/zinc/69/60/19/712696019.db2.gz YFURIVPYINLICU-UHFFFAOYSA-N 1 2 293.367 1.297 20 30 CDEDLO C=CC[N@H+]1CCC[C@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001006944441 712696693 /nfs/dbraw/zinc/69/66/93/712696693.db2.gz IOVXHTNDVRCPFX-LBPRGKRZSA-N 1 2 262.357 1.407 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001006944441 712696694 /nfs/dbraw/zinc/69/66/94/712696694.db2.gz IOVXHTNDVRCPFX-LBPRGKRZSA-N 1 2 262.357 1.407 20 30 CDEDLO CCOCC[NH+]1CCN(C(=O)C#Cc2cccs2)CC1 ZINC000825822543 712704525 /nfs/dbraw/zinc/70/45/25/712704525.db2.gz JFGZEMCHXZAWOC-UHFFFAOYSA-N 1 2 292.404 1.280 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(Cl)c1 ZINC001032679793 712706626 /nfs/dbraw/zinc/70/66/26/712706626.db2.gz IZZADPHNFZMGHT-STQMWFEESA-N 1 2 275.739 1.267 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(Cl)c1 ZINC001032679793 712706627 /nfs/dbraw/zinc/70/66/27/712706627.db2.gz IZZADPHNFZMGHT-STQMWFEESA-N 1 2 275.739 1.267 20 30 CDEDLO C#C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000843968672 712708802 /nfs/dbraw/zinc/70/88/02/712708802.db2.gz YXAMPXAGBKVXNH-GJZGRUSLSA-N 1 2 279.343 1.936 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCc1ccc[nH+]c1N ZINC000923156864 712712921 /nfs/dbraw/zinc/71/29/21/712712921.db2.gz BWYJEWBJVSUORI-RYUDHWBXSA-N 1 2 262.309 1.688 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2c[nH]c3ncccc23)C1 ZINC001044306847 712716236 /nfs/dbraw/zinc/71/62/36/712716236.db2.gz DVOHECJXVJFMCA-UHFFFAOYSA-N 1 2 270.336 1.505 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cc1F ZINC001032762135 712723193 /nfs/dbraw/zinc/72/31/93/712723193.db2.gz WKTITEGEAVVSQV-RYUDHWBXSA-N 1 2 276.286 1.497 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cc1F ZINC001032762135 712723195 /nfs/dbraw/zinc/72/31/95/712723195.db2.gz WKTITEGEAVVSQV-RYUDHWBXSA-N 1 2 276.286 1.497 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(C)=O)C1 ZINC001046905655 712735033 /nfs/dbraw/zinc/73/50/33/712735033.db2.gz FYGWWPHBAARHRT-SNVBAGLBSA-N 1 2 266.719 1.832 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(C)=O)C1 ZINC001046905655 712735035 /nfs/dbraw/zinc/73/50/35/712735035.db2.gz FYGWWPHBAARHRT-SNVBAGLBSA-N 1 2 266.719 1.832 20 30 CDEDLO C[C@H]1C[N@H+](C[C@H](O)CC#N)CCN1C(=O)OC(C)(C)C ZINC000809575667 712736367 /nfs/dbraw/zinc/73/63/67/712736367.db2.gz AFHUIOHWFCSETN-NWDGAFQWSA-N 1 2 283.372 1.202 20 30 CDEDLO C[C@H]1C[N@@H+](C[C@H](O)CC#N)CCN1C(=O)OC(C)(C)C ZINC000809575667 712736372 /nfs/dbraw/zinc/73/63/72/712736372.db2.gz AFHUIOHWFCSETN-NWDGAFQWSA-N 1 2 283.372 1.202 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[C@@H]1C)CO2 ZINC001053895457 712740716 /nfs/dbraw/zinc/74/07/16/712740716.db2.gz GOHBZZWMWDTXIY-AVGNSLFASA-N 1 2 264.369 1.178 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2c1ccn2C ZINC001038824469 712754308 /nfs/dbraw/zinc/75/43/08/712754308.db2.gz YPUXRZZGNNLWES-ZDUSSCGKSA-N 1 2 281.359 1.616 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2c1ccn2C ZINC001038824469 712754312 /nfs/dbraw/zinc/75/43/12/712754312.db2.gz YPUXRZZGNNLWES-ZDUSSCGKSA-N 1 2 281.359 1.616 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnnc1C ZINC001017706069 712760465 /nfs/dbraw/zinc/76/04/65/712760465.db2.gz IVNQVHBAPXUZSA-OKILXGFUSA-N 1 2 284.363 1.097 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnnc1C ZINC001017706069 712760467 /nfs/dbraw/zinc/76/04/67/712760467.db2.gz IVNQVHBAPXUZSA-OKILXGFUSA-N 1 2 284.363 1.097 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2ccn(C)n2)C1 ZINC001033075456 712764106 /nfs/dbraw/zinc/76/41/06/712764106.db2.gz NAKULVJFPDKGKX-ZDUSSCGKSA-N 1 2 296.802 1.248 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccn(C)n2)C1 ZINC001033075456 712764108 /nfs/dbraw/zinc/76/41/08/712764108.db2.gz NAKULVJFPDKGKX-ZDUSSCGKSA-N 1 2 296.802 1.248 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Oc1ccccn1 ZINC001018182798 712764236 /nfs/dbraw/zinc/76/42/36/712764236.db2.gz KKUAABIXZDXHMK-KFWWJZLASA-N 1 2 299.374 1.157 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Oc1ccccn1 ZINC001018182798 712764239 /nfs/dbraw/zinc/76/42/39/712764239.db2.gz KKUAABIXZDXHMK-KFWWJZLASA-N 1 2 299.374 1.157 20 30 CDEDLO CN(C(=O)C(F)F)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001032858263 712766245 /nfs/dbraw/zinc/76/62/45/712766245.db2.gz ZSMLRAAALCQFRA-CQSZACIVSA-N 1 2 292.329 1.836 20 30 CDEDLO CN(C(=O)C(F)F)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001032858263 712766252 /nfs/dbraw/zinc/76/62/52/712766252.db2.gz ZSMLRAAALCQFRA-CQSZACIVSA-N 1 2 292.329 1.836 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC001038733859 712775268 /nfs/dbraw/zinc/77/52/68/712775268.db2.gz BOQDALGWRTTYLH-NSHDSACASA-N 1 2 284.319 1.107 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC001038733859 712775272 /nfs/dbraw/zinc/77/52/72/712775272.db2.gz BOQDALGWRTTYLH-NSHDSACASA-N 1 2 284.319 1.107 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000875682074 712781608 /nfs/dbraw/zinc/78/16/08/712781608.db2.gz UZZFYBDKGZAJHD-MJBXVCDLSA-N 1 2 294.399 1.089 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000875682074 712781610 /nfs/dbraw/zinc/78/16/10/712781610.db2.gz UZZFYBDKGZAJHD-MJBXVCDLSA-N 1 2 294.399 1.089 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1cn(CCC=C)nn1)[C@H]1CCCO1 ZINC000846862586 712785692 /nfs/dbraw/zinc/78/56/92/712785692.db2.gz WGQOVRVEWQMWRN-ZIAGYGMSSA-N 1 2 260.341 1.125 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnns2)CC[C@@H]1C ZINC001071365572 712786622 /nfs/dbraw/zinc/78/66/22/712786622.db2.gz ARUNCHXSAQVECM-QWRGUYRKSA-N 1 2 278.381 1.144 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnns2)CC[C@@H]1C ZINC001071365572 712786623 /nfs/dbraw/zinc/78/66/23/712786623.db2.gz ARUNCHXSAQVECM-QWRGUYRKSA-N 1 2 278.381 1.144 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1C1CC1 ZINC001038301160 712790475 /nfs/dbraw/zinc/79/04/75/712790475.db2.gz MLOJCHVONXBPMX-CYBMUJFWSA-N 1 2 286.379 1.125 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)nc1C1CC1 ZINC001038301160 712790477 /nfs/dbraw/zinc/79/04/77/712790477.db2.gz MLOJCHVONXBPMX-CYBMUJFWSA-N 1 2 286.379 1.125 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3(CF)CC3)C[C@@H]21 ZINC001074336285 712796545 /nfs/dbraw/zinc/79/65/45/712796545.db2.gz MWTQYCXVALJVSQ-KBPBESRZSA-N 1 2 294.370 1.061 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3(CF)CC3)C[C@@H]21 ZINC001074336285 712796547 /nfs/dbraw/zinc/79/65/47/712796547.db2.gz MWTQYCXVALJVSQ-KBPBESRZSA-N 1 2 294.370 1.061 20 30 CDEDLO C#CCO[NH+]=Cc1ccc(N2CCOCC2)s1 ZINC000812234432 712798179 /nfs/dbraw/zinc/79/81/79/712798179.db2.gz HNLCDIQJYFIJHI-UHFFFAOYSA-N 1 2 250.323 1.568 20 30 CDEDLO Cc1ccccc1S(=O)(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000057608143 1167169557 /nfs/dbraw/zinc/16/95/57/1167169557.db2.gz DMYLGHZTXBTVKF-UHFFFAOYSA-N 1 2 293.392 1.261 20 30 CDEDLO CC1(C#N)CC[NH+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233016527 912673936 /nfs/dbraw/zinc/67/39/36/912673936.db2.gz GSZKSEBXWZUETE-UHFFFAOYSA-N 1 2 262.309 1.929 20 30 CDEDLO COc1ccnc(C(=N)Nc2cc[nH+]c3c2ccn3C)n1 ZINC001168427671 912687556 /nfs/dbraw/zinc/68/75/56/912687556.db2.gz GELJDUYSJUBALU-UHFFFAOYSA-N 1 2 282.307 1.409 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(C)nc(OC)c2)C1 ZINC001030855754 912912958 /nfs/dbraw/zinc/91/29/58/912912958.db2.gz NQHJTPQLXHAATG-UHFFFAOYSA-N 1 2 275.352 1.389 20 30 CDEDLO C#Cc1cc(Nc2ccc(S(=O)(=O)NC)cc2)cc[nH+]1 ZINC001174264947 913067469 /nfs/dbraw/zinc/06/74/69/913067469.db2.gz LVQXATVNHJHWQX-UHFFFAOYSA-N 1 2 287.344 1.137 20 30 CDEDLO Cn1ncc(Nc2ccc(N3CCOCC3)[nH+]c2)c1C#N ZINC001174974727 913404153 /nfs/dbraw/zinc/40/41/53/913404153.db2.gz LTQWLZYPCTVWOY-UHFFFAOYSA-N 1 2 284.323 1.267 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001031038080 913475542 /nfs/dbraw/zinc/47/55/42/913475542.db2.gz LMUZJMRLMRMAMB-UHFFFAOYSA-N 1 2 286.375 1.831 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2snnc2C)[C@H]1C ZINC000993053286 913665895 /nfs/dbraw/zinc/66/58/95/913665895.db2.gz VPZXLMYXYDUFER-GHMZBOCLSA-N 1 2 278.381 1.062 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2snnc2C)[C@H]1C ZINC000993053286 913665913 /nfs/dbraw/zinc/66/59/13/913665913.db2.gz VPZXLMYXYDUFER-GHMZBOCLSA-N 1 2 278.381 1.062 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)Cc1ccc(C#N)cc1 ZINC000784914938 894007803 /nfs/dbraw/zinc/00/78/03/894007803.db2.gz SFBVYHHWNBFBMV-ZDUSSCGKSA-N 1 2 288.347 1.365 20 30 CDEDLO CN(c1cc(CC#N)cc[nH+]1)C1CCS(=O)(=O)CC1 ZINC001167102313 894526212 /nfs/dbraw/zinc/52/62/12/894526212.db2.gz SNMWHAMVUCEPIW-UHFFFAOYSA-N 1 2 279.365 1.161 20 30 CDEDLO C[C@@H](CCNc1ncccc1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001106426972 913917778 /nfs/dbraw/zinc/91/77/78/913917778.db2.gz VXRSBCBDNAEFCL-NSHDSACASA-N 1 2 298.350 1.226 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3CC(C)C)[C@H]2C1 ZINC001083198201 894946206 /nfs/dbraw/zinc/94/62/06/894946206.db2.gz HTDMVXIDQUVZHI-LVQVYYBASA-N 1 2 290.407 1.213 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3CC(C)C)[C@H]2C1 ZINC001083198201 894946211 /nfs/dbraw/zinc/94/62/11/894946211.db2.gz HTDMVXIDQUVZHI-LVQVYYBASA-N 1 2 290.407 1.213 20 30 CDEDLO C#CCCCCCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000780371163 895819418 /nfs/dbraw/zinc/81/94/18/895819418.db2.gz ZOPALQFNVJTXEE-CQSZACIVSA-N 1 2 266.385 1.407 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CCCF ZINC001267248594 897331341 /nfs/dbraw/zinc/33/13/41/897331341.db2.gz DANFWRRHMWDAMD-UHFFFAOYSA-N 1 2 250.745 1.927 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CCCF ZINC001267248594 897331351 /nfs/dbraw/zinc/33/13/51/897331351.db2.gz DANFWRRHMWDAMD-UHFFFAOYSA-N 1 2 250.745 1.927 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CC12CCOCC2 ZINC001480956208 898200742 /nfs/dbraw/zinc/20/07/42/898200742.db2.gz MMBBIRWGRJNFND-LBPRGKRZSA-N 1 2 286.803 1.604 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CC12CCOCC2 ZINC001480956208 898200756 /nfs/dbraw/zinc/20/07/56/898200756.db2.gz MMBBIRWGRJNFND-LBPRGKRZSA-N 1 2 286.803 1.604 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N(C)[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001104684507 898884858 /nfs/dbraw/zinc/88/48/58/898884858.db2.gz ZJBYZACVWYQMHY-RYUDHWBXSA-N 1 2 290.367 1.082 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cn[nH]n2)C1 ZINC001025470333 898935555 /nfs/dbraw/zinc/93/55/55/898935555.db2.gz WHNOKROZCCTRGA-MNOVXSKESA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cn[nH]n2)C1 ZINC001025470333 898935566 /nfs/dbraw/zinc/93/55/66/898935566.db2.gz WHNOKROZCCTRGA-MNOVXSKESA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cnn[nH]2)C1 ZINC001025470333 898935577 /nfs/dbraw/zinc/93/55/77/898935577.db2.gz WHNOKROZCCTRGA-MNOVXSKESA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cnn[nH]2)C1 ZINC001025470333 898935586 /nfs/dbraw/zinc/93/55/86/898935586.db2.gz WHNOKROZCCTRGA-MNOVXSKESA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001481156785 898997458 /nfs/dbraw/zinc/99/74/58/898997458.db2.gz DESYESBJQUKSBH-UHFFFAOYSA-N 1 2 296.758 1.129 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001481156785 898997461 /nfs/dbraw/zinc/99/74/61/898997461.db2.gz DESYESBJQUKSBH-UHFFFAOYSA-N 1 2 296.758 1.129 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCCCC#N)C1 ZINC000444092393 914332031 /nfs/dbraw/zinc/33/20/31/914332031.db2.gz DCYQQAIPOQAXHY-LBPRGKRZSA-N 1 2 275.356 1.613 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCOCC)C[C@H]21 ZINC001176949366 914397124 /nfs/dbraw/zinc/39/71/24/914397124.db2.gz MRMLDZKEWGLANE-CABCVRRESA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCOCC)C[C@H]21 ZINC001176949366 914397140 /nfs/dbraw/zinc/39/71/40/914397140.db2.gz MRMLDZKEWGLANE-CABCVRRESA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cn(C)cn1 ZINC001027823823 900856318 /nfs/dbraw/zinc/85/63/18/900856318.db2.gz AKJBDGQCPIMGGH-NSHDSACASA-N 1 2 282.775 1.367 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C)cn1 ZINC001027823823 900856324 /nfs/dbraw/zinc/85/63/24/900856324.db2.gz AKJBDGQCPIMGGH-NSHDSACASA-N 1 2 282.775 1.367 20 30 CDEDLO N#Cc1cc(F)cc(-c2noc(C[N@H+]3CC[C@@H](O)C3)n2)c1 ZINC001211785967 902437586 /nfs/dbraw/zinc/43/75/86/902437586.db2.gz MGSHVUODQRBZFJ-GFCCVEGCSA-N 1 2 288.282 1.314 20 30 CDEDLO N#Cc1cc(F)cc(-c2noc(C[N@@H+]3CC[C@@H](O)C3)n2)c1 ZINC001211785967 902437599 /nfs/dbraw/zinc/43/75/99/902437599.db2.gz MGSHVUODQRBZFJ-GFCCVEGCSA-N 1 2 288.282 1.314 20 30 CDEDLO CN(CC(=O)Nc1ccc(O)c(C#N)c1)c1cccc[nH+]1 ZINC001177413105 914672923 /nfs/dbraw/zinc/67/29/23/914672923.db2.gz MVIHGJSCGSNNQV-UHFFFAOYSA-N 1 2 282.303 1.734 20 30 CDEDLO C[C@H](C#N)C(=O)NCC1([NH2+]Cc2cnsn2)CCCC1 ZINC001482213532 903699374 /nfs/dbraw/zinc/69/93/74/903699374.db2.gz PMDQWWKIRQKOCT-SNVBAGLBSA-N 1 2 293.396 1.216 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccsc1COC ZINC001038404183 903877558 /nfs/dbraw/zinc/87/75/58/903877558.db2.gz RUZGXCILFZJEKP-NSHDSACASA-N 1 2 278.377 1.332 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccsc1COC ZINC001038404183 903877569 /nfs/dbraw/zinc/87/75/69/903877569.db2.gz RUZGXCILFZJEKP-NSHDSACASA-N 1 2 278.377 1.332 20 30 CDEDLO N#C[C@H]1CCC[C@@H]([NH2+]Cc2nc(C(F)(F)F)n[nH]2)C1 ZINC001363728174 904681467 /nfs/dbraw/zinc/68/14/67/904681467.db2.gz DNEUEICMSVPKCF-JGVFFNPUSA-N 1 2 273.262 1.995 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)NC ZINC001029422034 905862723 /nfs/dbraw/zinc/86/27/23/905862723.db2.gz RJJDSJQDEUHHBX-UPJWGTAASA-N 1 2 293.411 1.008 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)NC ZINC001029422034 905862739 /nfs/dbraw/zinc/86/27/39/905862739.db2.gz RJJDSJQDEUHHBX-UPJWGTAASA-N 1 2 293.411 1.008 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](CC)C(N)=O ZINC001029422010 905863482 /nfs/dbraw/zinc/86/34/82/905863482.db2.gz QNDMXMYSGMXYQC-FRRDWIJNSA-N 1 2 293.411 1.138 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](CC)C(N)=O ZINC001029422010 905863499 /nfs/dbraw/zinc/86/34/99/905863499.db2.gz QNDMXMYSGMXYQC-FRRDWIJNSA-N 1 2 293.411 1.138 20 30 CDEDLO CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001089980316 921213426 /nfs/dbraw/zinc/21/34/26/921213426.db2.gz LJLMSCLHOOPNJU-HUUCEWRRSA-N 1 2 287.363 1.020 20 30 CDEDLO CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001089980316 921213434 /nfs/dbraw/zinc/21/34/34/921213434.db2.gz LJLMSCLHOOPNJU-HUUCEWRRSA-N 1 2 287.363 1.020 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(=O)[nH]n2)[C@H]1C ZINC001088456056 907319251 /nfs/dbraw/zinc/31/92/51/907319251.db2.gz XPCKUXHUKZQBES-ZJUUUORDSA-N 1 2 296.758 1.127 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)[nH]n2)[C@H]1C ZINC001088456056 907319274 /nfs/dbraw/zinc/31/92/74/907319274.db2.gz XPCKUXHUKZQBES-ZJUUUORDSA-N 1 2 296.758 1.127 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C)cs2)C1 ZINC001042696352 908696827 /nfs/dbraw/zinc/69/68/27/908696827.db2.gz DRNMDHALMYUSKF-UHFFFAOYSA-N 1 2 262.378 1.836 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Nc2nccs2)CC1 ZINC001189365281 921470649 /nfs/dbraw/zinc/47/06/49/921470649.db2.gz PHGGDNNSQMMNJT-UHFFFAOYSA-N 1 2 252.343 1.479 20 30 CDEDLO CC(C)C#CC(=O)NCC[NH2+]Cc1nc(C(C)C)ns1 ZINC001126816078 909297303 /nfs/dbraw/zinc/29/73/03/909297303.db2.gz RLUKGDZFAKFTPL-UHFFFAOYSA-N 1 2 294.424 1.527 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccnn2C(C)C)C1 ZINC001042789722 909636340 /nfs/dbraw/zinc/63/63/40/909636340.db2.gz OJMJXDNSURWTKA-UHFFFAOYSA-N 1 2 276.384 1.796 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC)c2)C1 ZINC001032959086 921523755 /nfs/dbraw/zinc/52/37/55/921523755.db2.gz VTUOADPLBNTSFH-CYBMUJFWSA-N 1 2 296.802 1.802 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC)c2)C1 ZINC001032959086 921523764 /nfs/dbraw/zinc/52/37/64/921523764.db2.gz VTUOADPLBNTSFH-CYBMUJFWSA-N 1 2 296.802 1.802 20 30 CDEDLO C=CCCCNC(=S)NC1CC[NH+](C2COC2)CC1 ZINC001247771212 910027224 /nfs/dbraw/zinc/02/72/24/910027224.db2.gz HQSGOQQBUZATAG-UHFFFAOYSA-N 1 2 283.441 1.280 20 30 CDEDLO C#Cc1ccc(C(=O)NCCCNc2cc[nH+]c(C)n2)cc1 ZINC001094696331 910743085 /nfs/dbraw/zinc/74/30/85/910743085.db2.gz ZCHRYSWVLJFSBR-UHFFFAOYSA-N 1 2 294.358 1.998 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2n[nH]cc2F)[C@H]1C ZINC001088841130 911585676 /nfs/dbraw/zinc/58/56/76/911585676.db2.gz OPRHJVDAURDQLE-SCZZXKLOSA-N 1 2 286.738 1.494 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2n[nH]cc2F)[C@H]1C ZINC001088841130 911585682 /nfs/dbraw/zinc/58/56/82/911585682.db2.gz OPRHJVDAURDQLE-SCZZXKLOSA-N 1 2 286.738 1.494 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc(F)cc2F)C1 ZINC001030347114 911698942 /nfs/dbraw/zinc/69/89/42/911698942.db2.gz KPQNIBTUPDWAQV-UHFFFAOYSA-N 1 2 278.302 1.331 20 30 CDEDLO COC(=O)[C@H](CS)[NH2+][C@@H](C)CCOCC(C)C ZINC001172461892 911717647 /nfs/dbraw/zinc/71/76/47/911717647.db2.gz KGPBTYSNAJVIAN-QWRGUYRKSA-N 1 2 263.403 1.499 20 30 CDEDLO C=CCn1cccc1C(=O)NC1C[NH+]([C@@H](C)COC)C1 ZINC001030447562 911847130 /nfs/dbraw/zinc/84/71/30/911847130.db2.gz BTSQWUNNLXTKMJ-LBPRGKRZSA-N 1 2 277.368 1.123 20 30 CDEDLO C=CCOc1ccc(C(=O)NC2C[NH+](CCOC)C2)cc1 ZINC001030541647 912009809 /nfs/dbraw/zinc/00/98/09/912009809.db2.gz VEZVJKNWYGLWBS-UHFFFAOYSA-N 1 2 290.363 1.312 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cn(C)nc2C2CCC2)C1 ZINC001030550919 912023018 /nfs/dbraw/zinc/02/30/18/912023018.db2.gz SJANVQFVPITIIO-UHFFFAOYSA-N 1 2 286.379 1.125 20 30 CDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1nccn1C ZINC001272678411 915081878 /nfs/dbraw/zinc/08/18/78/915081878.db2.gz MDEDHRGQKUSFAO-INIZCTEOSA-N 1 2 288.395 1.563 20 30 CDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1nccn1C ZINC001272678411 915081897 /nfs/dbraw/zinc/08/18/97/915081897.db2.gz MDEDHRGQKUSFAO-INIZCTEOSA-N 1 2 288.395 1.563 20 30 CDEDLO C#Cc1ccc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001178118993 915182315 /nfs/dbraw/zinc/18/23/15/915182315.db2.gz HPXHQVIWLODICJ-HNNXBMFYSA-N 1 2 279.343 1.743 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1scnc1C ZINC001038071394 915385621 /nfs/dbraw/zinc/38/56/21/915385621.db2.gz YTWKIDPAEXGFDV-NSHDSACASA-N 1 2 265.382 1.832 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1scnc1C ZINC001038071394 915385638 /nfs/dbraw/zinc/38/56/38/915385638.db2.gz YTWKIDPAEXGFDV-NSHDSACASA-N 1 2 265.382 1.832 20 30 CDEDLO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ncn[nH]1 ZINC001089711770 915508381 /nfs/dbraw/zinc/50/83/81/915508381.db2.gz ASCMUWIGEKEXKP-LBPRGKRZSA-N 1 2 289.383 1.048 20 30 CDEDLO CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1nc[nH]n1 ZINC001089711770 915508397 /nfs/dbraw/zinc/50/83/97/915508397.db2.gz ASCMUWIGEKEXKP-LBPRGKRZSA-N 1 2 289.383 1.048 20 30 CDEDLO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1nc[nH]n1 ZINC001089711770 915508416 /nfs/dbraw/zinc/50/84/16/915508416.db2.gz ASCMUWIGEKEXKP-LBPRGKRZSA-N 1 2 289.383 1.048 20 30 CDEDLO C=C(CC)CNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000922779572 921806107 /nfs/dbraw/zinc/80/61/07/921806107.db2.gz WTZDGAQYNXOUJE-ZDUSSCGKSA-N 1 2 269.389 1.363 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cc1Br)C[C@@H](O)CO ZINC001137634577 936379088 /nfs/dbraw/zinc/37/90/88/936379088.db2.gz UTZCCADTIZMWQG-LLVKDONJSA-N 1 2 299.168 1.106 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cc1Br)C[C@@H](O)CO ZINC001137634577 936379093 /nfs/dbraw/zinc/37/90/93/936379093.db2.gz UTZCCADTIZMWQG-LLVKDONJSA-N 1 2 299.168 1.106 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccncn1 ZINC001485367267 916890281 /nfs/dbraw/zinc/89/02/81/916890281.db2.gz ZHUHXAFGENBKLZ-SNVBAGLBSA-N 1 2 268.748 1.279 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccncn1 ZINC001485367267 916890293 /nfs/dbraw/zinc/89/02/93/916890293.db2.gz ZHUHXAFGENBKLZ-SNVBAGLBSA-N 1 2 268.748 1.279 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccnc1)O2 ZINC001053562513 936414978 /nfs/dbraw/zinc/41/49/78/936414978.db2.gz ZZMYIQADYPTCPJ-CQSZACIVSA-N 1 2 287.363 1.231 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ocnc1C)O2 ZINC001053588158 936416146 /nfs/dbraw/zinc/41/61/46/936416146.db2.gz PQNHXGGJVMSEJX-LBPRGKRZSA-N 1 2 291.351 1.132 20 30 CDEDLO C=C1CCC(C(=O)N[C@H]2COC3(C[NH+](CC)C3)C2)CC1 ZINC001053914941 936423569 /nfs/dbraw/zinc/42/35/69/936423569.db2.gz YYUDZZZHPRVODG-CQSZACIVSA-N 1 2 278.396 1.712 20 30 CDEDLO C=CCCC(=O)NCC[NH2+]Cc1nnc(C(C)C)o1 ZINC001124631229 917510588 /nfs/dbraw/zinc/51/05/88/917510588.db2.gz FRBQCMFXPKXJJL-UHFFFAOYSA-N 1 2 266.345 1.365 20 30 CDEDLO Cc1nc([C@H](C)[NH2+]CCOc2ccc(C#N)cc2)no1 ZINC001254686121 936444817 /nfs/dbraw/zinc/44/48/17/936444817.db2.gz NQTUBGGIHPQISL-JTQLQIEISA-N 1 2 272.308 1.979 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001124908586 917757346 /nfs/dbraw/zinc/75/73/46/917757346.db2.gz NPNWYQFHBSSMER-JTQLQIEISA-N 1 2 278.356 1.338 20 30 CDEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CC3CC3)nn2)C1 ZINC001107116751 918117242 /nfs/dbraw/zinc/11/72/42/918117242.db2.gz COOBCHKZMDXPMZ-UHFFFAOYSA-N 1 2 289.383 1.127 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)o1 ZINC001032267459 918121124 /nfs/dbraw/zinc/12/11/24/918121124.db2.gz MZAPUEBPPJXKMC-STQMWFEESA-N 1 2 258.321 1.510 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)o1 ZINC001032267459 918121133 /nfs/dbraw/zinc/12/11/33/918121133.db2.gz MZAPUEBPPJXKMC-STQMWFEESA-N 1 2 258.321 1.510 20 30 CDEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCC3CC3)nn2)C1 ZINC001107145955 918212721 /nfs/dbraw/zinc/21/27/21/918212721.db2.gz PIIQTFVWEINYDE-UHFFFAOYSA-N 1 2 289.383 1.127 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@](C)(O)c2ccccc2)CC1 ZINC001182931969 918236216 /nfs/dbraw/zinc/23/62/16/918236216.db2.gz UAINTQIEWIDINZ-MRXNPFEDSA-N 1 2 274.364 1.224 20 30 CDEDLO C=CC[NH+]1CCN(Cc2[nH]nc3ccccc32)CC1 ZINC001137348872 936495015 /nfs/dbraw/zinc/49/50/15/936495015.db2.gz UVWISKKAKTUMFM-UHFFFAOYSA-N 1 2 256.353 1.867 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](O)c2ccc(C)cc2)CC1 ZINC001183645689 918583053 /nfs/dbraw/zinc/58/30/53/918583053.db2.gz PYTKEXBEZMHJMH-OAHLLOKOSA-N 1 2 274.364 1.359 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc(CO)cc2)CC1 ZINC001183691293 918618117 /nfs/dbraw/zinc/61/81/17/918618117.db2.gz RQHRNCTZXAQSAF-UHFFFAOYSA-N 1 2 274.364 1.052 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2C[C@@]23CCCOC3)CC1 ZINC001183713770 918640238 /nfs/dbraw/zinc/64/02/38/918640238.db2.gz CQHHMVCMCJONBI-UKRRQHHQSA-N 1 2 264.369 1.133 20 30 CDEDLO O=C1C=C2C[N@H+](Cc3ncccc3O)CC[C@H]2S1 ZINC001138390934 936529729 /nfs/dbraw/zinc/52/97/29/936529729.db2.gz LDAQWEVRCBDXPX-GFCCVEGCSA-N 1 2 262.334 1.561 20 30 CDEDLO O=C1C=C2C[N@@H+](Cc3ncccc3O)CC[C@H]2S1 ZINC001138390934 936529731 /nfs/dbraw/zinc/52/97/31/936529731.db2.gz LDAQWEVRCBDXPX-GFCCVEGCSA-N 1 2 262.334 1.561 20 30 CDEDLO CC[C@H](F)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C#N)[nH]1 ZINC001032361840 918762659 /nfs/dbraw/zinc/76/26/59/918762659.db2.gz DVMLTESWTVOJOB-DRZSPHRISA-N 1 2 290.342 1.533 20 30 CDEDLO CC[C@H](F)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C#N)[nH]1 ZINC001032361840 918762671 /nfs/dbraw/zinc/76/26/71/918762671.db2.gz DVMLTESWTVOJOB-DRZSPHRISA-N 1 2 290.342 1.533 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CC(F)(F)F)C1 ZINC001107788535 918782182 /nfs/dbraw/zinc/78/21/82/918782182.db2.gz CEYZGTDFCRYYPR-LLVKDONJSA-N 1 2 280.290 1.332 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CC(F)(F)F)C1 ZINC001107788535 918782188 /nfs/dbraw/zinc/78/21/88/918782188.db2.gz CEYZGTDFCRYYPR-LLVKDONJSA-N 1 2 280.290 1.332 20 30 CDEDLO Cc1nc(NC[C@@H](C)NC(=O)Cn2cc[nH+]c2)ccc1C#N ZINC001107814190 918827526 /nfs/dbraw/zinc/82/75/26/918827526.db2.gz DCNMWBLOICDQTN-LLVKDONJSA-N 1 2 298.350 1.075 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccncc2F)C1 ZINC001107836054 918860062 /nfs/dbraw/zinc/86/00/62/918860062.db2.gz OUTBXCVWBSLTLL-HNNXBMFYSA-N 1 2 293.342 1.227 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccncc2F)C1 ZINC001107836054 918860078 /nfs/dbraw/zinc/86/00/78/918860078.db2.gz OUTBXCVWBSLTLL-HNNXBMFYSA-N 1 2 293.342 1.227 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CC2CCC2)C1 ZINC001107844669 918866142 /nfs/dbraw/zinc/86/61/42/918866142.db2.gz YSZBREYPPUPBQN-MRXNPFEDSA-N 1 2 278.396 1.407 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CC2CCC2)C1 ZINC001107844669 918866157 /nfs/dbraw/zinc/86/61/57/918866157.db2.gz YSZBREYPPUPBQN-MRXNPFEDSA-N 1 2 278.396 1.407 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC2(C)C)C1 ZINC001107876145 918962003 /nfs/dbraw/zinc/96/20/03/918962003.db2.gz HYEIAURMCVPFNJ-CJNGLKHVSA-N 1 2 278.396 1.263 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC2(C)C)C1 ZINC001107876145 918961994 /nfs/dbraw/zinc/96/19/94/918961994.db2.gz HYEIAURMCVPFNJ-CJNGLKHVSA-N 1 2 278.396 1.263 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)SC)C1 ZINC001107878653 918970510 /nfs/dbraw/zinc/97/05/10/918970510.db2.gz FURAZJGGCWCYRO-GXTWGEPZSA-N 1 2 286.441 1.521 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)SC)C1 ZINC001107878653 918970516 /nfs/dbraw/zinc/97/05/16/918970516.db2.gz FURAZJGGCWCYRO-GXTWGEPZSA-N 1 2 286.441 1.521 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC001050820069 936565305 /nfs/dbraw/zinc/56/53/05/936565305.db2.gz JJFYFOIOULEJSN-LLVKDONJSA-N 1 2 298.770 1.940 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC001050820069 936565306 /nfs/dbraw/zinc/56/53/06/936565306.db2.gz JJFYFOIOULEJSN-LLVKDONJSA-N 1 2 298.770 1.940 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C(C)(C)C)c1 ZINC001032492065 919225953 /nfs/dbraw/zinc/22/59/53/919225953.db2.gz QTPJRTVRTFCZOJ-KBPBESRZSA-N 1 2 286.379 1.170 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C(C)(C)C)c1 ZINC001032492065 919225964 /nfs/dbraw/zinc/22/59/64/919225964.db2.gz QTPJRTVRTFCZOJ-KBPBESRZSA-N 1 2 286.379 1.170 20 30 CDEDLO C#CCCN(CC(F)(F)F)C(=O)Cc1[nH]cc[nH+]1 ZINC000832276675 936571719 /nfs/dbraw/zinc/57/17/19/936571719.db2.gz XZCHFORQVCUOOA-UHFFFAOYSA-N 1 2 259.231 1.366 20 30 CDEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)CC)C2)CC1 ZINC001051984542 936575715 /nfs/dbraw/zinc/57/57/15/936575715.db2.gz JTBDABOIYOTTQP-HOTGVXAUSA-N 1 2 291.439 1.274 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2nonc2c1 ZINC001032601217 919477701 /nfs/dbraw/zinc/47/77/01/919477701.db2.gz PTWUSGVWHFEWRB-STQMWFEESA-N 1 2 296.330 1.145 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2nonc2c1 ZINC001032601217 919477713 /nfs/dbraw/zinc/47/77/13/919477713.db2.gz PTWUSGVWHFEWRB-STQMWFEESA-N 1 2 296.330 1.145 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001077897388 919850017 /nfs/dbraw/zinc/85/00/17/919850017.db2.gz WWPKEVDSHVJJGB-KLHDSHLOSA-N 1 2 292.423 1.243 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001077897388 919850025 /nfs/dbraw/zinc/85/00/25/919850025.db2.gz WWPKEVDSHVJJGB-KLHDSHLOSA-N 1 2 292.423 1.243 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2oc3ccccc3c2C)C1 ZINC001078129139 920123276 /nfs/dbraw/zinc/12/32/76/920123276.db2.gz TVMDRJXSGSJKTL-ZIAGYGMSSA-N 1 2 298.342 1.149 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2oc3ccccc3c2C)C1 ZINC001078129139 920123286 /nfs/dbraw/zinc/12/32/86/920123286.db2.gz TVMDRJXSGSJKTL-ZIAGYGMSSA-N 1 2 298.342 1.149 20 30 CDEDLO N#C[C@H]1C[C@H]1C(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001186977481 920279791 /nfs/dbraw/zinc/27/97/91/920279791.db2.gz TUIZVVVLIZGXAY-IJLUTSLNSA-N 1 2 283.322 1.478 20 30 CDEDLO C=CC[N@H+]1C[C@H](NC(=O)c2[nH]nc(C)c2C)CC[C@H]1C ZINC001071391763 936679438 /nfs/dbraw/zinc/67/94/38/936679438.db2.gz MYYMAQXDUBONEP-ZWNOBZJWSA-N 1 2 276.384 1.795 20 30 CDEDLO C=CC[N@@H+]1C[C@H](NC(=O)c2[nH]nc(C)c2C)CC[C@H]1C ZINC001071391763 936679440 /nfs/dbraw/zinc/67/94/40/936679440.db2.gz MYYMAQXDUBONEP-ZWNOBZJWSA-N 1 2 276.384 1.795 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccnn2C)CC[C@H]1C ZINC001071384016 936679617 /nfs/dbraw/zinc/67/96/17/936679617.db2.gz QKNHSMMKGBJYKZ-NEPJUHHUSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccnn2C)CC[C@H]1C ZINC001071384016 936679618 /nfs/dbraw/zinc/67/96/18/936679618.db2.gz QKNHSMMKGBJYKZ-NEPJUHHUSA-N 1 2 296.802 1.755 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2[nH]nc(C)c2C)CC[C@H]1C ZINC001071391762 936679722 /nfs/dbraw/zinc/67/97/22/936679722.db2.gz MYYMAQXDUBONEP-MFKMUULPSA-N 1 2 276.384 1.795 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2[nH]nc(C)c2C)CC[C@H]1C ZINC001071391762 936679724 /nfs/dbraw/zinc/67/97/24/936679724.db2.gz MYYMAQXDUBONEP-MFKMUULPSA-N 1 2 276.384 1.795 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccns2)CC[C@H]1C ZINC001071547119 936684820 /nfs/dbraw/zinc/68/48/20/936684820.db2.gz RQUADVXBFNOGOM-NEPJUHHUSA-N 1 2 277.393 1.749 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccns2)CC[C@H]1C ZINC001071547119 936684822 /nfs/dbraw/zinc/68/48/22/936684822.db2.gz RQUADVXBFNOGOM-NEPJUHHUSA-N 1 2 277.393 1.749 20 30 CDEDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)nc2)C1 ZINC001140547102 936723838 /nfs/dbraw/zinc/72/38/38/936723838.db2.gz IRSUHNOFNQLDDH-CQSZACIVSA-N 1 2 287.367 1.189 20 30 CDEDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)nc2)C1 ZINC001140547102 936723840 /nfs/dbraw/zinc/72/38/40/936723840.db2.gz IRSUHNOFNQLDDH-CQSZACIVSA-N 1 2 287.367 1.189 20 30 CDEDLO N#Cc1ccc(Cl)c(C[N@H+]2CCOC[C@@H](O)C2)c1 ZINC001140600606 936729445 /nfs/dbraw/zinc/72/94/45/936729445.db2.gz PSOBSIVNHALZJX-LBPRGKRZSA-N 1 2 266.728 1.405 20 30 CDEDLO N#Cc1ccc(Cl)c(C[N@@H+]2CCOC[C@@H](O)C2)c1 ZINC001140600606 936729447 /nfs/dbraw/zinc/72/94/47/936729447.db2.gz PSOBSIVNHALZJX-LBPRGKRZSA-N 1 2 266.728 1.405 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3(C)CCC3)C[C@@H]21 ZINC001074315015 936736382 /nfs/dbraw/zinc/73/63/82/936736382.db2.gz OHWGQPYDZGYRRO-LSDHHAIUSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(C)CCC3)C[C@@H]21 ZINC001074315015 936736383 /nfs/dbraw/zinc/73/63/83/936736383.db2.gz OHWGQPYDZGYRRO-LSDHHAIUSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC001033452554 922215466 /nfs/dbraw/zinc/21/54/66/922215466.db2.gz 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922407023 /nfs/dbraw/zinc/40/70/23/922407023.db2.gz LCVIYBLDWFIOJM-QWHCGFSZSA-N 1 2 284.787 1.257 20 30 CDEDLO C#Cc1ccccc1C(=O)NCCOc1cc[nH+]cc1 ZINC001191128424 922416751 /nfs/dbraw/zinc/41/67/51/922416751.db2.gz KTZAMJKGZPBDJQ-UHFFFAOYSA-N 1 2 266.300 1.872 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cnn(C)n2)C1 ZINC001033983811 922442404 /nfs/dbraw/zinc/44/24/04/922442404.db2.gz YSLSBMVQRQCDFY-LLVKDONJSA-N 1 2 297.790 1.104 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnn(C)n2)C1 ZINC001033983811 922442411 /nfs/dbraw/zinc/44/24/11/922442411.db2.gz YSLSBMVQRQCDFY-LLVKDONJSA-N 1 2 297.790 1.104 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001034452967 922638315 /nfs/dbraw/zinc/63/83/15/922638315.db2.gz RDOSXBXCKNZOMV-LLVKDONJSA-N 1 2 297.790 1.152 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001034452967 922638321 /nfs/dbraw/zinc/63/83/21/922638321.db2.gz RDOSXBXCKNZOMV-LLVKDONJSA-N 1 2 297.790 1.152 20 30 CDEDLO 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C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(C)C)on1 ZINC001085745426 926347603 /nfs/dbraw/zinc/34/76/03/926347603.db2.gz GYLYBHIEEZBEGI-LBPRGKRZSA-N 1 2 275.352 1.578 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(C(C)C)n1 ZINC001085853361 926452526 /nfs/dbraw/zinc/45/25/26/926452526.db2.gz VTPHXUZBLVCSTR-CQSZACIVSA-N 1 2 288.395 1.634 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(C(C)C)n1 ZINC001085853361 926452531 /nfs/dbraw/zinc/45/25/31/926452531.db2.gz VTPHXUZBLVCSTR-CQSZACIVSA-N 1 2 288.395 1.634 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(OC)n1 ZINC001085903972 926494019 /nfs/dbraw/zinc/49/40/19/926494019.db2.gz UOFGQPBNYJMSAQ-ZDUSSCGKSA-N 1 2 287.363 1.260 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(OC)n1 ZINC001085903972 926494024 /nfs/dbraw/zinc/49/40/24/926494024.db2.gz UOFGQPBNYJMSAQ-ZDUSSCGKSA-N 1 2 287.363 1.260 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1occ2c1CCCC2 ZINC001085946776 926529368 /nfs/dbraw/zinc/52/93/68/926529368.db2.gz RVFGPJCZJFLDBG-AWEZNQCLSA-N 1 2 286.375 1.938 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1occ2c1CCCC2 ZINC001085946776 926529372 /nfs/dbraw/zinc/52/93/72/926529372.db2.gz RVFGPJCZJFLDBG-AWEZNQCLSA-N 1 2 286.375 1.938 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(N)=O)cs1 ZINC001085988782 926575423 /nfs/dbraw/zinc/57/54/23/926575423.db2.gz ATVVFWSOKXSLRV-NSHDSACASA-N 1 2 293.392 1.179 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(N)=O)cs1 ZINC001085988782 926575430 /nfs/dbraw/zinc/57/54/30/926575430.db2.gz ATVVFWSOKXSLRV-NSHDSACASA-N 1 2 293.392 1.179 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(CC)n(C)n1 ZINC001086003706 926592199 /nfs/dbraw/zinc/59/21/99/926592199.db2.gz OSQKDKMKGMOZLD-CQSZACIVSA-N 1 2 288.395 1.152 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(CC)n(C)n1 ZINC001086003706 926592205 /nfs/dbraw/zinc/59/22/05/926592205.db2.gz OSQKDKMKGMOZLD-CQSZACIVSA-N 1 2 288.395 1.152 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](O)C2)c1F ZINC001143163913 937127178 /nfs/dbraw/zinc/12/71/78/937127178.db2.gz ORIFIVCIEJVHIT-SNVBAGLBSA-N 1 2 252.264 1.793 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](O)C2)c1F ZINC001143163913 937127179 /nfs/dbraw/zinc/12/71/79/937127179.db2.gz ORIFIVCIEJVHIT-SNVBAGLBSA-N 1 2 252.264 1.793 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3c(F)ccc(C#N)c3F)C[C@H]21 ZINC001143166681 937128040 /nfs/dbraw/zinc/12/80/40/937128040.db2.gz MQKAGWISXFOPKO-KGLIPLIRSA-N 1 2 293.317 1.351 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3c(F)ccc(C#N)c3F)C[C@H]21 ZINC001143166681 937128042 /nfs/dbraw/zinc/12/80/42/937128042.db2.gz MQKAGWISXFOPKO-KGLIPLIRSA-N 1 2 293.317 1.351 20 30 CDEDLO N#CCCC(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001143198857 937134363 /nfs/dbraw/zinc/13/43/63/937134363.db2.gz OIPFTWNGHXWTCZ-NSHDSACASA-N 1 2 271.311 1.622 20 30 CDEDLO CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1ncccc1C#N ZINC001103334687 937136947 /nfs/dbraw/zinc/13/69/47/937136947.db2.gz JWELRAZSJIBEFZ-GFCCVEGCSA-N 1 2 298.350 1.226 20 30 CDEDLO C=CCCn1cc(C[NH2+]C2COC(C)(C)OC2)nn1 ZINC000850246729 927403856 /nfs/dbraw/zinc/40/38/56/927403856.db2.gz WVGWPPCLPUHHSR-UHFFFAOYSA-N 1 2 266.345 1.095 20 30 CDEDLO C=CC[N@H+](CN1C[C@H](C2CC2)CC1=O)[C@@H](C)COC ZINC000853535606 928037151 /nfs/dbraw/zinc/03/71/51/928037151.db2.gz XJBALPYJAMSCED-GXTWGEPZSA-N 1 2 266.385 1.725 20 30 CDEDLO C=CC[N@@H+](CN1C[C@H](C2CC2)CC1=O)[C@@H](C)COC ZINC000853535606 928037161 /nfs/dbraw/zinc/03/71/61/928037161.db2.gz XJBALPYJAMSCED-GXTWGEPZSA-N 1 2 266.385 1.725 20 30 CDEDLO C=C(C)COCCNC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC001150437924 937230793 /nfs/dbraw/zinc/23/07/93/937230793.db2.gz BHQPHUNFZQGDGP-GJZGRUSLSA-N 1 2 298.427 1.585 20 30 CDEDLO C=C(C)COCCNC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC001150437924 937230796 /nfs/dbraw/zinc/23/07/96/937230796.db2.gz BHQPHUNFZQGDGP-GJZGRUSLSA-N 1 2 298.427 1.585 20 30 CDEDLO C[C@@H](C#N)OCC[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000859797516 929069304 /nfs/dbraw/zinc/06/93/04/929069304.db2.gz DWJYZGWNSJXSSR-NSHDSACASA-N 1 2 272.352 1.641 20 30 CDEDLO C[C@@H](C#N)OCC[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000859797516 929069313 /nfs/dbraw/zinc/06/93/13/929069313.db2.gz DWJYZGWNSJXSSR-NSHDSACASA-N 1 2 272.352 1.641 20 30 CDEDLO C=CCCC[NH+]1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001112868329 929514329 /nfs/dbraw/zinc/51/43/29/929514329.db2.gz MZTBRFDDFRPQFK-SNVBAGLBSA-N 1 2 282.281 1.997 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001134410552 929734006 /nfs/dbraw/zinc/73/40/06/929734006.db2.gz XMYHNGPWLVWXSX-UHFFFAOYSA-N 1 2 266.345 1.186 20 30 CDEDLO C=CCOCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccon1 ZINC001152370395 937356726 /nfs/dbraw/zinc/35/67/26/937356726.db2.gz DMGSEQBXVWOTOV-GFCCVEGCSA-N 1 2 281.356 1.204 20 30 CDEDLO C=CCOCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccon1 ZINC001152370395 937356729 /nfs/dbraw/zinc/35/67/29/937356729.db2.gz DMGSEQBXVWOTOV-GFCCVEGCSA-N 1 2 281.356 1.204 20 30 CDEDLO COc1ccnc(N=NC(C)c2ccc(N)[nH+]c2)n1 ZINC000814798243 929843056 /nfs/dbraw/zinc/84/30/56/929843056.db2.gz AGQKOGHJODWBKD-UHFFFAOYSA-N 1 2 258.285 1.299 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(CC#N)n1 ZINC000882475627 930007047 /nfs/dbraw/zinc/00/70/47/930007047.db2.gz SIWKZFQSDJIYOX-ZDUSSCGKSA-N 1 2 268.320 1.184 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(CC#N)n1 ZINC000882475627 930007061 /nfs/dbraw/zinc/00/70/61/930007061.db2.gz SIWKZFQSDJIYOX-ZDUSSCGKSA-N 1 2 268.320 1.184 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](C)c1ccccc1 ZINC000884056387 930418425 /nfs/dbraw/zinc/41/84/25/930418425.db2.gz WCRPEOIYKUOHHR-OCCSQVGLSA-N 1 2 290.363 1.353 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000884103638 930443018 /nfs/dbraw/zinc/44/30/18/930443018.db2.gz PDLNVFCEBCIUDN-AVGNSLFASA-N 1 2 280.368 1.224 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)c1ccc(OC)cc1 ZINC000884382095 930548816 /nfs/dbraw/zinc/54/88/16/930548816.db2.gz ZYGFDZBYAVLYCI-ZDUSSCGKSA-N 1 2 292.335 1.105 20 30 CDEDLO C#CCC[C@H](O)CNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817784870 930605317 /nfs/dbraw/zinc/60/53/17/930605317.db2.gz DVWFPCRIUQFJMY-AWEZNQCLSA-N 1 2 275.352 1.272 20 30 CDEDLO NC(=[NH+]O[C@H]1CCN(C2CC2)C1=O)c1ccc(F)cc1 ZINC001116200503 937436613 /nfs/dbraw/zinc/43/66/13/937436613.db2.gz YFJBOFYXYFPMBX-LBPRGKRZSA-N 1 2 277.299 1.226 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C)cc2)C1 ZINC000885508573 930730831 /nfs/dbraw/zinc/73/08/31/930730831.db2.gz ILZRQWDTOJPNCS-CQSZACIVSA-N 1 2 292.404 1.371 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C)cc2)C1 ZINC000885508573 930730835 /nfs/dbraw/zinc/73/08/35/930730835.db2.gz ILZRQWDTOJPNCS-CQSZACIVSA-N 1 2 292.404 1.371 20 30 CDEDLO N#CC1(C[C@H](O)C[N@@H+]2CCO[C@@H](C(F)F)C2)CCC1 ZINC000886190527 930820838 /nfs/dbraw/zinc/82/08/38/930820838.db2.gz UUJDOVVSXSSXLZ-WDEREUQCSA-N 1 2 274.311 1.397 20 30 CDEDLO N#CC1(C[C@H](O)C[N@H+]2CCO[C@@H](C(F)F)C2)CCC1 ZINC000886190527 930820843 /nfs/dbraw/zinc/82/08/43/930820843.db2.gz UUJDOVVSXSSXLZ-WDEREUQCSA-N 1 2 274.311 1.397 20 30 CDEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@@H]1C[C@]12CCOC2 ZINC000886276987 930847765 /nfs/dbraw/zinc/84/77/65/930847765.db2.gz CLCABAWHOKWXDO-BBRMVZONSA-N 1 2 279.380 1.690 20 30 CDEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@@H]1C[C@]12CCOC2 ZINC000886276987 930847767 /nfs/dbraw/zinc/84/77/67/930847767.db2.gz CLCABAWHOKWXDO-BBRMVZONSA-N 1 2 279.380 1.690 20 30 CDEDLO CCOC(=O)[C@@H](CC1CC1)[NH2+]C[C@@H](O)CC1(C#N)CCC1 ZINC000886314277 930856498 /nfs/dbraw/zinc/85/64/98/930856498.db2.gz RMCQIEMQSPITFO-UONOGXRCSA-N 1 2 294.395 1.753 20 30 CDEDLO N#Cc1cccc(NC(=O)CO[NH+]=C(N)c2ccccc2)c1 ZINC000005295566 931078218 /nfs/dbraw/zinc/07/82/18/931078218.db2.gz HJGODMDFXXBODZ-UHFFFAOYSA-N 1 2 294.314 1.834 20 30 CDEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cnc(F)c(C#N)c2)cc1 ZINC001170984690 931146543 /nfs/dbraw/zinc/14/65/43/931146543.db2.gz XDVORZNDIINNPO-UHFFFAOYSA-N 1 2 298.277 1.916 20 30 CDEDLO C#CCSCC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000887767856 931224485 /nfs/dbraw/zinc/22/44/85/931224485.db2.gz ZNNZAVKGPSEWNU-OAHLLOKOSA-N 1 2 288.416 1.868 20 30 CDEDLO C#CCSCC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000887767856 931224490 /nfs/dbraw/zinc/22/44/90/931224490.db2.gz ZNNZAVKGPSEWNU-OAHLLOKOSA-N 1 2 288.416 1.868 20 30 CDEDLO C#CCSCC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000889083471 931294919 /nfs/dbraw/zinc/29/49/19/931294919.db2.gz CCHIFHXWBXIOQD-AWEZNQCLSA-N 1 2 296.436 1.066 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C)[C@@H](O)C1 ZINC001090746045 931386972 /nfs/dbraw/zinc/38/69/72/931386972.db2.gz GFROQICQKWGKHW-MNOVXSKESA-N 1 2 274.792 1.336 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C)[C@@H](O)C1 ZINC001090746045 931386982 /nfs/dbraw/zinc/38/69/82/931386982.db2.gz GFROQICQKWGKHW-MNOVXSKESA-N 1 2 274.792 1.336 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3c(Cl)cccc3C#N)C[C@H]21 ZINC001143719253 931523777 /nfs/dbraw/zinc/52/37/77/931523777.db2.gz UQHZAEVEKDREFY-CABCVRRESA-N 1 2 291.782 1.726 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3c(Cl)cccc3C#N)C[C@H]21 ZINC001143719253 931523782 /nfs/dbraw/zinc/52/37/82/931523782.db2.gz UQHZAEVEKDREFY-CABCVRRESA-N 1 2 291.782 1.726 20 30 CDEDLO N#Cc1cncc(C[N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c1 ZINC001144079944 931651055 /nfs/dbraw/zinc/65/10/55/931651055.db2.gz QGICGHGGSNTAEQ-GVDBMIGSSA-N 1 2 299.374 1.579 20 30 CDEDLO N#Cc1cncc(C[N@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c1 ZINC001144079944 931651059 /nfs/dbraw/zinc/65/10/59/931651059.db2.gz QGICGHGGSNTAEQ-GVDBMIGSSA-N 1 2 299.374 1.579 20 30 CDEDLO COC(=O)C[C@H]1CCCN(c2cc(CC#N)cc[nH+]2)C1 ZINC001154835898 937594155 /nfs/dbraw/zinc/59/41/55/937594155.db2.gz GJMJPWPIPJOSLW-CYBMUJFWSA-N 1 2 273.336 1.927 20 30 CDEDLO C=CCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(C)o1)C2 ZINC001147165885 932431602 /nfs/dbraw/zinc/43/16/02/932431602.db2.gz MBTCANJUTFMOJS-UHFFFAOYSA-N 1 2 290.367 1.379 20 30 CDEDLO C=CCCC(=O)N1CC2(C1)CC[N@H+](Cc1nnc(C)o1)C2 ZINC001147165885 932431604 /nfs/dbraw/zinc/43/16/04/932431604.db2.gz MBTCANJUTFMOJS-UHFFFAOYSA-N 1 2 290.367 1.379 20 30 CDEDLO Cc1nc(N(C)CCCNC(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001095518987 932680660 /nfs/dbraw/zinc/68/06/60/932680660.db2.gz CPRZYAANOKVWDH-UHFFFAOYSA-N 1 2 298.350 1.241 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2ncc(C)o2)cn1 ZINC001148383064 932702793 /nfs/dbraw/zinc/70/27/93/932702793.db2.gz QCYDOQJCPPULGZ-GFCCVEGCSA-N 1 2 298.346 1.440 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)F)c1nccn12 ZINC001092345088 932936747 /nfs/dbraw/zinc/93/67/47/932936747.db2.gz KTGLXLXJEYIUQV-LLVKDONJSA-N 1 2 292.358 1.389 20 30 CDEDLO C#CCNc1cc(N2CCN(c3ccccc3)CC2)nc[nH+]1 ZINC001155655889 937660427 /nfs/dbraw/zinc/66/04/27/937660427.db2.gz SPOHDGZFXGFOEC-UHFFFAOYSA-N 1 2 293.374 1.848 20 30 CDEDLO C#CCNc1cc(N2CCN(c3ccccc3)CC2)[nH+]cn1 ZINC001155655889 937660428 /nfs/dbraw/zinc/66/04/28/937660428.db2.gz SPOHDGZFXGFOEC-UHFFFAOYSA-N 1 2 293.374 1.848 20 30 CDEDLO Cc1cc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC#N)c(C)[nH+]1 ZINC001095787012 934409810 /nfs/dbraw/zinc/40/98/10/934409810.db2.gz VOZGYKJKMAANFN-ILXRZTDVSA-N 1 2 298.390 1.866 20 30 CDEDLO C=C(Br)C[N@@H+](C)CCOCCOCC ZINC000190252224 934508944 /nfs/dbraw/zinc/50/89/44/934508944.db2.gz UCVCLLFGMUDKNJ-UHFFFAOYSA-N 1 2 266.179 1.880 20 30 CDEDLO C=C(Br)C[N@H+](C)CCOCCOCC ZINC000190252224 934508950 /nfs/dbraw/zinc/50/89/50/934508950.db2.gz UCVCLLFGMUDKNJ-UHFFFAOYSA-N 1 2 266.179 1.880 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)C2CC(OC)C2)C1 ZINC000950577529 934570209 /nfs/dbraw/zinc/57/02/09/934570209.db2.gz CKUQPGYVWMKUGG-UHFFFAOYSA-N 1 2 266.385 1.520 20 30 CDEDLO CCN(CCCNC(=O)[C@@H](C)C#N)c1cc[nH+]c(C)n1 ZINC001095848485 934738510 /nfs/dbraw/zinc/73/85/10/934738510.db2.gz RXHIFUQIGGSKTR-NSHDSACASA-N 1 2 275.356 1.277 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001114677228 934908492 /nfs/dbraw/zinc/90/84/92/934908492.db2.gz AHTMUAAONONCHY-WDNDVIMCSA-N 1 2 289.379 1.823 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001114677228 934908498 /nfs/dbraw/zinc/90/84/98/934908498.db2.gz AHTMUAAONONCHY-WDNDVIMCSA-N 1 2 289.379 1.823 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001114727220 934941015 /nfs/dbraw/zinc/94/10/15/934941015.db2.gz UGAHUDPQSBOOHA-YYWXWVFPSA-N 1 2 289.379 1.823 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001114727220 934941018 /nfs/dbraw/zinc/94/10/18/934941018.db2.gz UGAHUDPQSBOOHA-YYWXWVFPSA-N 1 2 289.379 1.823 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2nccs2)C1 ZINC001008970636 935416909 /nfs/dbraw/zinc/41/69/09/935416909.db2.gz FWZXLHOFOYMFNE-NSHDSACASA-N 1 2 263.366 1.361 20 30 CDEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2nccs2)C1 ZINC001008970636 935416913 /nfs/dbraw/zinc/41/69/13/935416913.db2.gz FWZXLHOFOYMFNE-NSHDSACASA-N 1 2 263.366 1.361 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC001010446095 935459612 /nfs/dbraw/zinc/45/96/12/935459612.db2.gz KCXQDGKVSPRGHO-CMPLNLGQSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC001010446095 935459616 /nfs/dbraw/zinc/45/96/16/935459616.db2.gz KCXQDGKVSPRGHO-CMPLNLGQSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)C2CC2)C1 ZINC001010446107 935459838 /nfs/dbraw/zinc/45/98/38/935459838.db2.gz KCXQDGKVSPRGHO-ZYHUDNBSSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C2CC2)C1 ZINC001010446107 935459839 /nfs/dbraw/zinc/45/98/39/935459839.db2.gz KCXQDGKVSPRGHO-ZYHUDNBSSA-N 1 2 256.777 1.976 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2nc3cccnc3s2)C1 ZINC001014747673 935549532 /nfs/dbraw/zinc/54/95/32/935549532.db2.gz UPIREMKXJGMUSY-SNVBAGLBSA-N 1 2 286.360 1.129 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2nc3cccnc3s2)C1 ZINC001014747673 935549536 /nfs/dbraw/zinc/54/95/36/935549536.db2.gz UPIREMKXJGMUSY-SNVBAGLBSA-N 1 2 286.360 1.129 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001015914237 935593479 /nfs/dbraw/zinc/59/34/79/935593479.db2.gz UJBJFKBMISDPMZ-AWEZNQCLSA-N 1 2 297.362 1.257 20 30 CDEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001015914237 935593480 /nfs/dbraw/zinc/59/34/80/935593480.db2.gz UJBJFKBMISDPMZ-AWEZNQCLSA-N 1 2 297.362 1.257 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)SC ZINC001017366582 935636131 /nfs/dbraw/zinc/63/61/31/935636131.db2.gz DRQGJNHUCWKHJA-UPJWGTAASA-N 1 2 266.410 1.436 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)SC ZINC001017366582 935636134 /nfs/dbraw/zinc/63/61/34/935636134.db2.gz DRQGJNHUCWKHJA-UPJWGTAASA-N 1 2 266.410 1.436 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCO[C@@H]1C ZINC001017511258 935640994 /nfs/dbraw/zinc/64/09/94/935640994.db2.gz CBRDRQIKYSNMOA-LVQVYYBASA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCO[C@@H]1C ZINC001017511258 935640996 /nfs/dbraw/zinc/64/09/96/935640996.db2.gz CBRDRQIKYSNMOA-LVQVYYBASA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1(F)F ZINC001017531713 935641999 /nfs/dbraw/zinc/64/19/99/935641999.db2.gz MHNYMANCHNBCJS-TUAOUCFPSA-N 1 2 268.307 1.340 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1(F)F ZINC001017531713 935642005 /nfs/dbraw/zinc/64/20/05/935642005.db2.gz MHNYMANCHNBCJS-TUAOUCFPSA-N 1 2 268.307 1.340 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c1CCCC2 ZINC001017626618 935645387 /nfs/dbraw/zinc/64/53/87/935645387.db2.gz LNXTYISJNQSSGG-GASCZTMLSA-N 1 2 297.402 1.746 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c1CCCC2 ZINC001017626618 935645389 /nfs/dbraw/zinc/64/53/89/935645389.db2.gz LNXTYISJNQSSGG-GASCZTMLSA-N 1 2 297.402 1.746 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N(C)C)nc1 ZINC001017695409 935647124 /nfs/dbraw/zinc/64/71/24/935647124.db2.gz IAJQZYCAHYMISI-GASCZTMLSA-N 1 2 298.390 1.070 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N(C)C)nc1 ZINC001017695409 935647126 /nfs/dbraw/zinc/64/71/26/935647126.db2.gz IAJQZYCAHYMISI-GASCZTMLSA-N 1 2 298.390 1.070 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c([nH]1)CCC2 ZINC001018167498 935661605 /nfs/dbraw/zinc/66/16/05/935661605.db2.gz GIBWXLUSAOBJAP-GASCZTMLSA-N 1 2 297.402 1.816 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c([nH]1)CCC2 ZINC001018167498 935661608 /nfs/dbraw/zinc/66/16/08/935661608.db2.gz GIBWXLUSAOBJAP-GASCZTMLSA-N 1 2 297.402 1.816 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(C(C)C)c1Cl ZINC001038559200 935748832 /nfs/dbraw/zinc/74/88/32/935748832.db2.gz VWQBLYDBMHLBMX-LLVKDONJSA-N 1 2 294.786 1.555 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(C(C)C)c1Cl ZINC001038559200 935748833 /nfs/dbraw/zinc/74/88/33/935748833.db2.gz VWQBLYDBMHLBMX-LLVKDONJSA-N 1 2 294.786 1.555 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)nc2n[nH]c(C)c21 ZINC001038813504 935757861 /nfs/dbraw/zinc/75/78/61/935757861.db2.gz VRJDHMWXBAHSKF-LBPRGKRZSA-N 1 2 297.362 1.012 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)nc2n[nH]c(C)c21 ZINC001038813504 935757862 /nfs/dbraw/zinc/75/78/62/935757862.db2.gz VRJDHMWXBAHSKF-LBPRGKRZSA-N 1 2 297.362 1.012 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cccc2)nc1 ZINC001038822289 935759022 /nfs/dbraw/zinc/75/90/22/935759022.db2.gz ZCYANAWXJVERKT-OAHLLOKOSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cccc2)nc1 ZINC001038822289 935759023 /nfs/dbraw/zinc/75/90/23/935759023.db2.gz ZCYANAWXJVERKT-OAHLLOKOSA-N 1 2 294.358 1.310 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(CC)c1C ZINC001038844823 935759086 /nfs/dbraw/zinc/75/90/86/935759086.db2.gz GULMNPQKGMXRFG-CYBMUJFWSA-N 1 2 274.368 1.039 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(CC)c1C ZINC001038844823 935759087 /nfs/dbraw/zinc/75/90/87/935759087.db2.gz GULMNPQKGMXRFG-CYBMUJFWSA-N 1 2 274.368 1.039 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1csc(Cl)n1 ZINC001038890085 935760907 /nfs/dbraw/zinc/76/09/07/935760907.db2.gz FGNKDRNRTHPCHW-QMMMGPOBSA-N 1 2 271.773 1.787 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1csc(Cl)n1 ZINC001038890085 935760910 /nfs/dbraw/zinc/76/09/10/935760910.db2.gz FGNKDRNRTHPCHW-QMMMGPOBSA-N 1 2 271.773 1.787 20 30 CDEDLO C=C(C)CN1CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001038922166 935761969 /nfs/dbraw/zinc/76/19/69/935761969.db2.gz NCKDLBDSNVFQTD-CYBMUJFWSA-N 1 2 288.395 1.528 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(C)c1C ZINC001038981059 935765248 /nfs/dbraw/zinc/76/52/48/935765248.db2.gz FTGQUXCXYRUBNR-AWEZNQCLSA-N 1 2 256.349 1.741 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C)c1C ZINC001038981059 935765250 /nfs/dbraw/zinc/76/52/50/935765250.db2.gz FTGQUXCXYRUBNR-AWEZNQCLSA-N 1 2 256.349 1.741 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn2ccccc2n1 ZINC001038984515 935765520 /nfs/dbraw/zinc/76/55/20/935765520.db2.gz GPCBNYSALRRBNR-CYBMUJFWSA-N 1 2 282.347 1.162 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn2ccccc2n1 ZINC001038984515 935765521 /nfs/dbraw/zinc/76/55/21/935765521.db2.gz GPCBNYSALRRBNR-CYBMUJFWSA-N 1 2 282.347 1.162 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2c(cccc2OC)[nH]1 ZINC001039019654 935766468 /nfs/dbraw/zinc/76/64/68/935766468.db2.gz VMEWMAVHSHPIQO-GFCCVEGCSA-N 1 2 297.358 1.614 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c(cccc2OC)[nH]1 ZINC001039019654 935766469 /nfs/dbraw/zinc/76/64/69/935766469.db2.gz VMEWMAVHSHPIQO-GFCCVEGCSA-N 1 2 297.358 1.614 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(N(C)CCC)cc1 ZINC001039079877 935768895 /nfs/dbraw/zinc/76/88/95/935768895.db2.gz VWQCBOSSTRYVOX-KRWDZBQOSA-N 1 2 299.418 1.970 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N(C)CCC)cc1 ZINC001039079877 935768897 /nfs/dbraw/zinc/76/88/97/935768897.db2.gz VWQCBOSSTRYVOX-KRWDZBQOSA-N 1 2 299.418 1.970 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnccc2C)C1 ZINC001042568232 935823955 /nfs/dbraw/zinc/82/39/55/935823955.db2.gz VLNCVXIFYDWELJ-UHFFFAOYSA-N 1 2 259.353 1.722 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCn3nccc32)C1 ZINC001043128932 935834018 /nfs/dbraw/zinc/83/40/18/935834018.db2.gz SQLBPLPCVHTBJZ-AWEZNQCLSA-N 1 2 288.395 1.479 20 30 CDEDLO C=CCC[NH+]1CC(N(C)C(=O)c2snnc2C(C)C)C1 ZINC001044079604 935851159 /nfs/dbraw/zinc/85/11/59/935851159.db2.gz RDBILNCCDRFQFK-UHFFFAOYSA-N 1 2 294.424 1.994 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2C(C)C)C1 ZINC001044112766 935851602 /nfs/dbraw/zinc/85/16/02/935851602.db2.gz SMHZLDRYAAOQJA-UONOGXRCSA-N 1 2 250.386 1.997 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCO[C@H](CC)C2)C1 ZINC001044152120 935852485 /nfs/dbraw/zinc/85/24/85/935852485.db2.gz JYLYXQWGYCHEKO-DZGCQCFKSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cncnc2CC)C1 ZINC001044302838 935857109 /nfs/dbraw/zinc/85/71/09/935857109.db2.gz PMNBEQMTAACAOQ-UHFFFAOYSA-N 1 2 274.368 1.371 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cccn2C)C1 ZINC001046150120 935929428 /nfs/dbraw/zinc/92/94/28/935929428.db2.gz OKSWYFSCQHGFFO-CQSZACIVSA-N 1 2 281.787 1.972 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cccn2C)C1 ZINC001046150120 935929431 /nfs/dbraw/zinc/92/94/31/935929431.db2.gz OKSWYFSCQHGFFO-CQSZACIVSA-N 1 2 281.787 1.972 20 30 CDEDLO Cn1cc[nH+]c1CCCOC(=O)COc1ccccc1C#N ZINC000802785615 936065020 /nfs/dbraw/zinc/06/50/20/936065020.db2.gz CSJZONMVPPRFSZ-UHFFFAOYSA-N 1 2 299.330 1.847 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096436611 936086098 /nfs/dbraw/zinc/08/60/98/936086098.db2.gz WIIWAZQAGHRNQV-CYBMUJFWSA-N 1 2 274.368 1.836 20 30 CDEDLO C#CCCCC(=O)NC[C@H](Nc1cc[nH+]c(C)n1)C1CC1 ZINC001096660394 936206710 /nfs/dbraw/zinc/20/67/10/936206710.db2.gz WFCDFUAFNDLQLS-AWEZNQCLSA-N 1 2 286.379 1.895 20 30 CDEDLO N#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001097336368 936293017 /nfs/dbraw/zinc/29/30/17/936293017.db2.gz GDHPOOLZKSMGEH-KYOSRNDESA-N 1 2 295.346 1.422 20 30 CDEDLO C#CC1CCN(c2nnc(Cc3[nH+]ccn3C)n2CC)CC1 ZINC001121771170 937882323 /nfs/dbraw/zinc/88/23/23/937882323.db2.gz YFAMKSOZGRXTNH-UHFFFAOYSA-N 1 2 298.394 1.472 20 30 CDEDLO N#C[C@H]1CCCCN1C(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156970111 938440740 /nfs/dbraw/zinc/44/07/40/938440740.db2.gz PRQCOCUQQSWAAU-SNVBAGLBSA-N 1 2 269.308 1.663 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(NC[C@H]3COCCO3)c2c1 ZINC001157481695 938500378 /nfs/dbraw/zinc/50/03/78/938500378.db2.gz DCWTVOUHFVLGHA-ZDUSSCGKSA-N 1 2 269.304 1.934 20 30 CDEDLO CN1C(=O)CC[C@@H]2CN(c3cc(CC#N)cc[nH+]3)CC[C@H]21 ZINC001158657067 938647336 /nfs/dbraw/zinc/64/73/36/938647336.db2.gz GYEVBTIKLSHPBP-ZIAGYGMSSA-N 1 2 284.363 1.595 20 30 CDEDLO CC(C)(C)NC(=O)CCNc1cc(CC#N)cc[nH+]1 ZINC001160412470 938785816 /nfs/dbraw/zinc/78/58/16/938785816.db2.gz SJVRRVDKJSUESP-UHFFFAOYSA-N 1 2 260.341 1.864 20 30 CDEDLO CN(C)c1cc(NCc2cncc(C#N)c2)[nH+]cn1 ZINC001160989926 938854568 /nfs/dbraw/zinc/85/45/68/938854568.db2.gz VPQFOEXAVKXFAF-UHFFFAOYSA-N 1 2 254.297 1.421 20 30 CDEDLO CN(C)c1cc(NCc2cncc(C#N)c2)nc[nH+]1 ZINC001160989926 938854570 /nfs/dbraw/zinc/85/45/70/938854570.db2.gz VPQFOEXAVKXFAF-UHFFFAOYSA-N 1 2 254.297 1.421 20 30 CDEDLO N#Cc1cnc(NCc2c[nH+]cn2CC2CCC2)cn1 ZINC001161532011 938908835 /nfs/dbraw/zinc/90/88/35/938908835.db2.gz YNYZTUGIZLGQDZ-UHFFFAOYSA-N 1 2 268.324 1.957 20 30 CDEDLO N#Cc1cccc2c1CCN2C(=O)Cn1cc[nH+]c1 ZINC001162451994 939056000 /nfs/dbraw/zinc/05/60/00/939056000.db2.gz ZOCYSBMYWBFFNO-UHFFFAOYSA-N 1 2 252.277 1.344 20 30 CDEDLO N#Cc1ccccc1N1CCN(c2cc(N)nc[nH+]2)CC1 ZINC001163616015 939293718 /nfs/dbraw/zinc/29/37/18/939293718.db2.gz FSFBSWBIVRFJDP-UHFFFAOYSA-N 1 2 280.335 1.257 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1nc(Cl)ccc1F ZINC001164640652 939501025 /nfs/dbraw/zinc/50/10/25/939501025.db2.gz CZQHACPXXRLBBJ-SSDOTTSWSA-N 1 2 290.676 1.721 20 30 CDEDLO C#C[C@H]1CCCN(c2ccc(Cn3cncn3)c[nH+]2)C1 ZINC001167008437 939670551 /nfs/dbraw/zinc/67/05/51/939670551.db2.gz XFJYFTXEYWAARV-ZDUSSCGKSA-N 1 2 267.336 1.571 20 30 CDEDLO Cc1nn(C)cc1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001204577254 939776801 /nfs/dbraw/zinc/77/68/01/939776801.db2.gz UKBLZPPKBJFIJU-GFCCVEGCSA-N 1 2 263.366 1.503 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(OC)cc2F)CC1 ZINC001204934000 939806347 /nfs/dbraw/zinc/80/63/47/939806347.db2.gz LSOXGTUKZRATCI-UHFFFAOYSA-N 1 2 262.328 1.585 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)SC)C1 ZINC001206183297 939993069 /nfs/dbraw/zinc/99/30/69/939993069.db2.gz JGSZZHKLINJROP-DVVUODLYSA-N 1 2 276.833 1.927 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)SC)C1 ZINC001206183297 939993071 /nfs/dbraw/zinc/99/30/71/939993071.db2.gz JGSZZHKLINJROP-DVVUODLYSA-N 1 2 276.833 1.927 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC2CC2)C1 ZINC001206197617 939996185 /nfs/dbraw/zinc/99/61/85/939996185.db2.gz XEFOQAJLIXXUJO-ZWNOBZJWSA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC2CC2)C1 ZINC001206197617 939996187 /nfs/dbraw/zinc/99/61/87/939996187.db2.gz XEFOQAJLIXXUJO-ZWNOBZJWSA-N 1 2 286.803 1.602 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COCC(=O)c2ccc(C#N)cc2)C1 ZINC001206498931 940049847 /nfs/dbraw/zinc/04/98/47/940049847.db2.gz XBSMDYMWQIOSNA-CQSZACIVSA-N 1 2 274.320 1.088 20 30 CDEDLO C[N@H+]1CCO[C@@H](COCC(=O)c2ccc(C#N)cc2)C1 ZINC001206498931 940049849 /nfs/dbraw/zinc/04/98/49/940049849.db2.gz XBSMDYMWQIOSNA-CQSZACIVSA-N 1 2 274.320 1.088 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1C ZINC001206912229 940110318 /nfs/dbraw/zinc/11/03/18/940110318.db2.gz AWQFGOQAQKIZIS-ZIAGYGMSSA-N 1 2 288.395 1.160 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1C ZINC001206912229 940110324 /nfs/dbraw/zinc/11/03/24/940110324.db2.gz AWQFGOQAQKIZIS-ZIAGYGMSSA-N 1 2 288.395 1.160 20 30 CDEDLO C#CCC[NH2+][C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001208084042 940287032 /nfs/dbraw/zinc/28/70/32/940287032.db2.gz JVALWENWBZMVNY-VHSXEESVSA-N 1 2 280.265 1.491 20 30 CDEDLO C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001208084042 940287034 /nfs/dbraw/zinc/28/70/34/940287034.db2.gz JVALWENWBZMVNY-VHSXEESVSA-N 1 2 280.265 1.491 20 30 CDEDLO COC(=O)[C@H](C)C[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001208725084 940377050 /nfs/dbraw/zinc/37/70/50/940377050.db2.gz KOZCGQPCGJZBBH-LLVKDONJSA-N 1 2 274.320 1.430 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CC(C)C)CCC2)[C@H](OC)C1 ZINC001213156157 940760736 /nfs/dbraw/zinc/76/07/36/940760736.db2.gz LTUGCWIOOQGUEU-HUUCEWRRSA-N 1 2 292.423 1.651 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CC(C)C)CCC2)[C@H](OC)C1 ZINC001213156157 940760737 /nfs/dbraw/zinc/76/07/37/940760737.db2.gz LTUGCWIOOQGUEU-HUUCEWRRSA-N 1 2 292.423 1.651 20 30 CDEDLO C=CCCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2noc(C)n2)C1 ZINC001214304485 940814427 /nfs/dbraw/zinc/81/44/27/940814427.db2.gz VKSBELRJIMZRBD-NQBHXWOUSA-N 1 2 292.383 1.842 20 30 CDEDLO C=CCCC[N@@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@@H](O)C1 ZINC001219669806 941377331 /nfs/dbraw/zinc/37/73/31/941377331.db2.gz IGKIDFMGANBPQP-UTLUCORTSA-N 1 2 298.280 1.014 20 30 CDEDLO C=CCCC[N@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@@H](O)C1 ZINC001219669806 941377335 /nfs/dbraw/zinc/37/73/35/941377335.db2.gz IGKIDFMGANBPQP-UTLUCORTSA-N 1 2 298.280 1.014 20 30 CDEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001220149245 941416905 /nfs/dbraw/zinc/41/69/05/941416905.db2.gz DPIFRUHLGSGPRO-ZAACICEASA-N 1 2 298.814 1.484 20 30 CDEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001220149245 941416907 /nfs/dbraw/zinc/41/69/07/941416907.db2.gz DPIFRUHLGSGPRO-ZAACICEASA-N 1 2 298.814 1.484 20 30 CDEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001220180827 941420981 /nfs/dbraw/zinc/42/09/81/941420981.db2.gz RMJYVAZXUZUGRQ-DZTBXEGKSA-N 1 2 284.787 1.094 20 30 CDEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001220180827 941420982 /nfs/dbraw/zinc/42/09/82/941420982.db2.gz RMJYVAZXUZUGRQ-DZTBXEGKSA-N 1 2 284.787 1.094 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001220437066 941446990 /nfs/dbraw/zinc/44/69/90/941446990.db2.gz SLXODRQWFFFIPD-OXTPZFROSA-N 1 2 286.803 1.503 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001220437066 941446993 /nfs/dbraw/zinc/44/69/93/941446993.db2.gz SLXODRQWFFFIPD-OXTPZFROSA-N 1 2 286.803 1.503 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](F)CC)C[C@@H]1O ZINC001220435534 941447149 /nfs/dbraw/zinc/44/71/49/941447149.db2.gz FRHRUHCQHIGIKM-XQQFMLRXSA-N 1 2 286.391 1.498 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](F)CC)C[C@@H]1O ZINC001220435534 941447152 /nfs/dbraw/zinc/44/71/52/941447152.db2.gz FRHRUHCQHIGIKM-XQQFMLRXSA-N 1 2 286.391 1.498 20 30 CDEDLO C=CCOCC(COCC=C)OCCn1cc[nH+]c1 ZINC001222135540 941568682 /nfs/dbraw/zinc/56/86/82/941568682.db2.gz ZPUFVHXCZNQIPF-UHFFFAOYSA-N 1 2 266.341 1.674 20 30 CDEDLO CCC1=C(OCCC[NH+]2CCOCC2)C(=O)[C@H](C)O1 ZINC001224870797 941800484 /nfs/dbraw/zinc/80/04/84/941800484.db2.gz VGWWHJPNAWGZGP-NSHDSACASA-N 1 2 269.341 1.335 20 30 CDEDLO C=CCCC(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001226471605 942011041 /nfs/dbraw/zinc/01/10/41/942011041.db2.gz RLYIMAQCTUECQF-UHFFFAOYSA-N 1 2 276.384 1.467 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc4cccnc4o3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230351941 942610650 /nfs/dbraw/zinc/61/06/50/942610650.db2.gz WRFBWCHNAZFPPG-ZQLNZSQWSA-N 1 2 273.292 1.214 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc4cccnc4o3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230351941 942610653 /nfs/dbraw/zinc/61/06/53/942610653.db2.gz WRFBWCHNAZFPPG-ZQLNZSQWSA-N 1 2 273.292 1.214 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(C#N)n1C ZINC001362128386 970923353 /nfs/dbraw/zinc/92/33/53/970923353.db2.gz NHGNCTQPURRJLA-UHFFFAOYSA-N 1 2 271.324 1.256 20 30 CDEDLO C#Cc1cccc(C[N@H+]2CCOC[C@@H]2CC(=O)OC)c1 ZINC001231660528 942965350 /nfs/dbraw/zinc/96/53/50/942965350.db2.gz HNGSJOOCRSNIBT-HNNXBMFYSA-N 1 2 273.332 1.432 20 30 CDEDLO C#Cc1cccc(C[N@@H+]2CCOC[C@@H]2CC(=O)OC)c1 ZINC001231660528 942965353 /nfs/dbraw/zinc/96/53/53/942965353.db2.gz HNGSJOOCRSNIBT-HNNXBMFYSA-N 1 2 273.332 1.432 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(OC)ccc2OCC)CC1 ZINC001232385067 943253037 /nfs/dbraw/zinc/25/30/37/943253037.db2.gz FZUILHOJPAHIGS-UHFFFAOYSA-N 1 2 288.391 1.845 20 30 CDEDLO C#CCN1CC[NH+](Cc2cc(OC)ccc2OCC)CC1 ZINC001232385067 943253041 /nfs/dbraw/zinc/25/30/41/943253041.db2.gz FZUILHOJPAHIGS-UHFFFAOYSA-N 1 2 288.391 1.845 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H](O)[C@@H](F)CC2)c1 ZINC001232674031 943356241 /nfs/dbraw/zinc/35/62/41/943356241.db2.gz QBTMUSJMLHNPOH-GXTWGEPZSA-N 1 2 264.300 1.559 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)c1 ZINC001232674031 943356245 /nfs/dbraw/zinc/35/62/45/943356245.db2.gz QBTMUSJMLHNPOH-GXTWGEPZSA-N 1 2 264.300 1.559 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1 ZINC001232677618 943360612 /nfs/dbraw/zinc/36/06/12/943360612.db2.gz FTNWIJDMRZXAHJ-JSGCOSHPSA-N 1 2 258.321 1.732 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c1 ZINC001232677618 943360615 /nfs/dbraw/zinc/36/06/15/943360615.db2.gz FTNWIJDMRZXAHJ-JSGCOSHPSA-N 1 2 258.321 1.732 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(O)cc(OC)c2)CC1 ZINC001232804616 943401410 /nfs/dbraw/zinc/40/14/10/943401410.db2.gz FPLVQEGDXWDIRR-UHFFFAOYSA-N 1 2 260.337 1.152 20 30 CDEDLO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001232845225 943419008 /nfs/dbraw/zinc/41/90/08/943419008.db2.gz PMYPROZLWMAZKV-LBPRGKRZSA-N 1 2 263.366 1.720 20 30 CDEDLO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC001232845225 943419010 /nfs/dbraw/zinc/41/90/10/943419010.db2.gz PMYPROZLWMAZKV-LBPRGKRZSA-N 1 2 263.366 1.720 20 30 CDEDLO Cc1ccc(C[N@@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)c(C#N)c1 ZINC001232967464 943447629 /nfs/dbraw/zinc/44/76/29/943447629.db2.gz NADFMEDSZQTPOA-UHFFFAOYSA-N 1 2 296.330 1.626 20 30 CDEDLO Cc1ccc(C[N@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)c(C#N)c1 ZINC001232967464 943447632 /nfs/dbraw/zinc/44/76/32/943447632.db2.gz NADFMEDSZQTPOA-UHFFFAOYSA-N 1 2 296.330 1.626 20 30 CDEDLO CCO[C@@H]1C[N@H+](Cc2[nH]ccc2C#N)[C@@H]2CCCO[C@H]12 ZINC001233044488 943473561 /nfs/dbraw/zinc/47/35/61/943473561.db2.gz SCEMINWCCBVANX-KFWWJZLASA-N 1 2 275.352 1.655 20 30 CDEDLO CCO[C@@H]1C[N@@H+](Cc2[nH]ccc2C#N)[C@@H]2CCCO[C@H]12 ZINC001233044488 943473564 /nfs/dbraw/zinc/47/35/64/943473564.db2.gz SCEMINWCCBVANX-KFWWJZLASA-N 1 2 275.352 1.655 20 30 CDEDLO CCOC(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccc(C#N)cc1O ZINC001233383921 943571635 /nfs/dbraw/zinc/57/16/35/943571635.db2.gz AKMGVNLZGHZFKM-XJKSGUPXSA-N 1 2 286.331 1.791 20 30 CDEDLO CCOC(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1ccc(C#N)cc1O ZINC001233383921 943571641 /nfs/dbraw/zinc/57/16/41/943571641.db2.gz AKMGVNLZGHZFKM-XJKSGUPXSA-N 1 2 286.331 1.791 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(O)cc(C#N)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234144186 943753539 /nfs/dbraw/zinc/75/35/39/943753539.db2.gz KKKSTMHWOCLKFN-ABWMFPBJSA-N 1 2 272.304 1.255 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(O)cc(C#N)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234144186 943753542 /nfs/dbraw/zinc/75/35/42/943753542.db2.gz KKKSTMHWOCLKFN-ABWMFPBJSA-N 1 2 272.304 1.255 20 30 CDEDLO N#CCC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CCc1ccc[nH]1 ZINC001277936198 944112825 /nfs/dbraw/zinc/11/28/25/944112825.db2.gz BOMZRPROLQMTTF-GJZGRUSLSA-N 1 2 286.379 1.536 20 30 CDEDLO N#CCC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CCc1ccc[nH]1 ZINC001277936198 944112831 /nfs/dbraw/zinc/11/28/31/944112831.db2.gz BOMZRPROLQMTTF-GJZGRUSLSA-N 1 2 286.379 1.536 20 30 CDEDLO CCn1ccnc1C[N@H+]1C[C@H]2C[C@@H](C1)N2CCC#N ZINC001277939582 944133792 /nfs/dbraw/zinc/13/37/92/944133792.db2.gz YDQDJSFOBBVLKU-BETUJISGSA-N 1 2 259.357 1.075 20 30 CDEDLO CCn1ccnc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2CCC#N ZINC001277939582 944133797 /nfs/dbraw/zinc/13/37/97/944133797.db2.gz YDQDJSFOBBVLKU-BETUJISGSA-N 1 2 259.357 1.075 20 30 CDEDLO COC(=O)CC[N@H+](C)Cc1c(F)cc(C#N)cc1F ZINC001235666032 944237294 /nfs/dbraw/zinc/23/72/94/944237294.db2.gz HYDNBTVPHMOOBS-UHFFFAOYSA-N 1 2 268.263 1.831 20 30 CDEDLO COC(=O)CC[N@@H+](C)Cc1c(F)cc(C#N)cc1F ZINC001235666032 944237297 /nfs/dbraw/zinc/23/72/97/944237297.db2.gz HYDNBTVPHMOOBS-UHFFFAOYSA-N 1 2 268.263 1.831 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)NCc1ccc(C#N)cc1F ZINC001362255540 971080612 /nfs/dbraw/zinc/08/06/12/971080612.db2.gz TWIVSUILINTTQE-UHFFFAOYSA-N 1 2 272.283 1.588 20 30 CDEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2oc(C)nc2C)CC1 ZINC001236593341 944521614 /nfs/dbraw/zinc/52/16/14/944521614.db2.gz DYNNHTVETKXHEN-UHFFFAOYSA-N 1 2 291.351 1.960 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(F)cc3c2OCCC3)CC1 ZINC001236630232 944533629 /nfs/dbraw/zinc/53/36/29/944533629.db2.gz QLZIBTIABISRSN-UHFFFAOYSA-N 1 2 288.366 1.902 20 30 CDEDLO Cc1cc(CNC(=O)c2c[nH]c(C#N)c2)cc(C)[nH+]1 ZINC001299551541 945474630 /nfs/dbraw/zinc/47/46/30/945474630.db2.gz UKJUVRQTPKCWPQ-UHFFFAOYSA-N 1 2 254.293 1.828 20 30 CDEDLO C#CC[N@@H+](Cc1cn(C[C@@H]2CCCO2)nn1)CC1CC1 ZINC001262007646 946368181 /nfs/dbraw/zinc/36/81/81/946368181.db2.gz MQMRWZJLEWHMLI-HNNXBMFYSA-N 1 2 274.368 1.302 20 30 CDEDLO C#CC[N@H+](Cc1cn(C[C@@H]2CCCO2)nn1)CC1CC1 ZINC001262007646 946368188 /nfs/dbraw/zinc/36/81/88/946368188.db2.gz MQMRWZJLEWHMLI-HNNXBMFYSA-N 1 2 274.368 1.302 20 30 CDEDLO C[C@H]1CC(=O)C=C(c2ccnc(N3CC[NH+](C)CC3)n2)C1 ZINC001242741244 946864178 /nfs/dbraw/zinc/86/41/78/946864178.db2.gz XVQXRFMSXJSTFY-GFCCVEGCSA-N 1 2 286.379 1.611 20 30 CDEDLO COC(=O)c1ccc(-c2ccc[nH+]c2N)cc1C#N ZINC001243474768 947126453 /nfs/dbraw/zinc/12/64/53/947126453.db2.gz RHTFWVRPOYYRPL-UHFFFAOYSA-N 1 2 253.261 1.989 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC001255176719 947765713 /nfs/dbraw/zinc/76/57/13/947765713.db2.gz DPZGPRPYEYWHQV-VXGBXAGGSA-N 1 2 252.362 1.414 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC001255176719 947765718 /nfs/dbraw/zinc/76/57/18/947765718.db2.gz DPZGPRPYEYWHQV-VXGBXAGGSA-N 1 2 252.362 1.414 20 30 CDEDLO C[C@@H](O)[C@H]([NH2+]C1CCC(C#N)CC1)C(=O)OC(C)(C)C ZINC001256958712 948463054 /nfs/dbraw/zinc/46/30/54/948463054.db2.gz MVWFYVRNFIEHFR-XVSSEFHLSA-N 1 2 282.384 1.749 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(F)cc(N(C)C)c2)CC1 ZINC001249958721 949913726 /nfs/dbraw/zinc/91/37/26/949913726.db2.gz QFGDBHSZTPAOBA-UHFFFAOYSA-N 1 2 275.371 1.643 20 30 CDEDLO C#CCN1CC[NH+](Cc2cc(F)cc(N(C)C)c2)CC1 ZINC001249958721 949913746 /nfs/dbraw/zinc/91/37/46/949913746.db2.gz QFGDBHSZTPAOBA-UHFFFAOYSA-N 1 2 275.371 1.643 20 30 CDEDLO N#C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc(F)c2)C1 ZINC001250809051 950388181 /nfs/dbraw/zinc/38/81/81/950388181.db2.gz MUASVACZPWGJBT-WCQYABFASA-N 1 2 264.300 1.411 20 30 CDEDLO N#C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc(F)c2)C1 ZINC001250809051 950388209 /nfs/dbraw/zinc/38/82/09/950388209.db2.gz MUASVACZPWGJBT-WCQYABFASA-N 1 2 264.300 1.411 20 30 CDEDLO C=CCOC[C@H](O)C[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC001252464741 951309229 /nfs/dbraw/zinc/30/92/29/951309229.db2.gz BOTSZMFPGRDROS-HIFRSBDPSA-N 1 2 278.352 1.018 20 30 CDEDLO C=CCOC[C@H](O)C[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC001252464741 951309243 /nfs/dbraw/zinc/30/92/43/951309243.db2.gz BOTSZMFPGRDROS-HIFRSBDPSA-N 1 2 278.352 1.018 20 30 CDEDLO C=C[C@H](COC)NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC001324668701 953505166 /nfs/dbraw/zinc/50/51/66/953505166.db2.gz HBOOFZZNKAJMHA-QWHCGFSZSA-N 1 2 292.383 1.510 20 30 CDEDLO N#Cc1cccc([C@H](O)C[N@@H+]2CCC[C@]23CCOC3=O)c1 ZINC001363225557 971996864 /nfs/dbraw/zinc/99/68/64/971996864.db2.gz SKGYJMOVPGPCKP-GDBMZVCRSA-N 1 2 286.331 1.373 20 30 CDEDLO N#Cc1cccc([C@H](O)C[N@H+]2CCC[C@]23CCOC3=O)c1 ZINC001363225557 971996871 /nfs/dbraw/zinc/99/68/71/971996871.db2.gz SKGYJMOVPGPCKP-GDBMZVCRSA-N 1 2 286.331 1.373 20 30 CDEDLO C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)Cc1ncn[nH]1 ZINC001421717582 955498919 /nfs/dbraw/zinc/49/89/19/955498919.db2.gz BNOKGNVBZLLNQA-LLVKDONJSA-N 1 2 297.790 1.070 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc(C)no1 ZINC001366597928 957010457 /nfs/dbraw/zinc/01/04/57/957010457.db2.gz CLSSJPPRUIUGJO-UHFFFAOYSA-N 1 2 271.748 1.787 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc(C)no1 ZINC001366597928 957010464 /nfs/dbraw/zinc/01/04/64/957010464.db2.gz CLSSJPPRUIUGJO-UHFFFAOYSA-N 1 2 271.748 1.787 20 30 CDEDLO CC(C)(C[NH+]1CC(O)(CC#N)C1)Oc1ccccc1 ZINC001331727459 957230374 /nfs/dbraw/zinc/23/03/74/957230374.db2.gz GWFPZNROFDVSCP-UHFFFAOYSA-N 1 2 260.337 1.804 20 30 CDEDLO C#CCN(CC1CC1)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC001332403654 957550086 /nfs/dbraw/zinc/55/00/86/957550086.db2.gz ZCDRQVGZAMDEOZ-HNNXBMFYSA-N 1 2 293.411 1.152 20 30 CDEDLO C#CCN(CC1CC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001320141032 958963413 /nfs/dbraw/zinc/96/34/13/958963413.db2.gz ZISGFPGFEKBDAF-CYBMUJFWSA-N 1 2 257.337 1.317 20 30 CDEDLO C[NH+](C)Cc1cc(C(=O)N(O)Cc2ccc(F)cc2)no1 ZINC001334860150 959419744 /nfs/dbraw/zinc/41/97/44/959419744.db2.gz ZSAXEJFCFGFWSS-UHFFFAOYSA-N 1 2 293.298 1.907 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001321173722 959631549 /nfs/dbraw/zinc/63/15/49/959631549.db2.gz WRHKKPKORPVFEL-AGIUHOORSA-N 1 2 263.341 1.542 20 30 CDEDLO C=C[C@](C)(O)C(=O)N1CC[NH2+][C@H](c2cccc(OC)c2)C1 ZINC001336023170 960160529 /nfs/dbraw/zinc/16/05/29/960160529.db2.gz BVEGNXXNFIBSHF-HOCLYGCPSA-N 1 2 290.363 1.105 20 30 CDEDLO Cc1nc([C@@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H](C)C#N)C2)no1 ZINC001418623362 960818413 /nfs/dbraw/zinc/81/84/13/960818413.db2.gz WYCRQWVWCLGBQE-IQIPOGNMSA-N 1 2 291.355 1.083 20 30 CDEDLO C=C(CO)C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001337376273 961149914 /nfs/dbraw/zinc/14/99/14/961149914.db2.gz FJKKEQKMZICQMD-CYBMUJFWSA-N 1 2 280.755 1.361 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(OC)no1 ZINC001420209466 962577857 /nfs/dbraw/zinc/57/78/57/962577857.db2.gz MJCIHWCORYCSLG-UHFFFAOYSA-N 1 2 273.720 1.097 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(OC)no1 ZINC001420209466 962577868 /nfs/dbraw/zinc/57/78/68/962577868.db2.gz MJCIHWCORYCSLG-UHFFFAOYSA-N 1 2 273.720 1.097 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1scnc1C ZINC001437436894 962895336 /nfs/dbraw/zinc/89/53/36/962895336.db2.gz ZVDHTFSXYHVENB-UHFFFAOYSA-N 1 2 273.789 1.866 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1scnc1C ZINC001437436894 962895343 /nfs/dbraw/zinc/89/53/43/962895343.db2.gz ZVDHTFSXYHVENB-UHFFFAOYSA-N 1 2 273.789 1.866 20 30 CDEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)CCCF ZINC001340592696 963021064 /nfs/dbraw/zinc/02/10/64/963021064.db2.gz AXMIXMUSTJYXMS-UHFFFAOYSA-N 1 2 292.362 1.584 20 30 CDEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)CCOC ZINC001342003728 963606962 /nfs/dbraw/zinc/60/69/62/963606962.db2.gz MRWAVJTXDOSBNH-CYBMUJFWSA-N 1 2 293.415 1.704 20 30 CDEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(C)CCOC ZINC001342003728 963606969 /nfs/dbraw/zinc/60/69/69/963606969.db2.gz MRWAVJTXDOSBNH-CYBMUJFWSA-N 1 2 293.415 1.704 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCc1cnccn1 ZINC001440995055 964317140 /nfs/dbraw/zinc/31/71/40/964317140.db2.gz WVTLKSQFHQJSSA-GFCCVEGCSA-N 1 2 296.802 1.598 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCc1cnccn1 ZINC001440995055 964317153 /nfs/dbraw/zinc/31/71/53/964317153.db2.gz WVTLKSQFHQJSSA-GFCCVEGCSA-N 1 2 296.802 1.598 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(C2CC2)nn1C ZINC001442406377 965040428 /nfs/dbraw/zinc/04/04/28/965040428.db2.gz CJGHVQUYBIBTAV-UHFFFAOYSA-N 1 2 296.802 1.712 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(C2CC2)nn1C ZINC001442406377 965040436 /nfs/dbraw/zinc/04/04/36/965040436.db2.gz CJGHVQUYBIBTAV-UHFFFAOYSA-N 1 2 296.802 1.712 20 30 CDEDLO C#CCN(C)c1nnc([C@H]2CCC[N@@H+]2C)n1CC1CC1 ZINC001347950039 965761206 /nfs/dbraw/zinc/76/12/06/965761206.db2.gz FZRDCPHNUGTCSV-CYBMUJFWSA-N 1 2 273.384 1.524 20 30 CDEDLO C#CCN(C)c1nnc([C@H]2CCC[N@H+]2C)n1CC1CC1 ZINC001347950039 965761215 /nfs/dbraw/zinc/76/12/15/965761215.db2.gz FZRDCPHNUGTCSV-CYBMUJFWSA-N 1 2 273.384 1.524 20 30 CDEDLO C=C[C@H](COC)[NH2+]Cc1cn(-c2ccc(F)cc2)nn1 ZINC001348100055 965820722 /nfs/dbraw/zinc/82/07/22/965820722.db2.gz PDXIGHCIIAKYOI-GFCCVEGCSA-N 1 2 276.315 1.697 20 30 CDEDLO C=CCNC(=S)NCc1c[nH+]cn1CC1CCC1 ZINC001200302339 967890656 /nfs/dbraw/zinc/89/06/56/967890656.db2.gz LJOZZPVUEYSMJT-UHFFFAOYSA-N 1 2 264.398 1.833 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2coc(C)n2)CC1 ZINC001002638723 968916522 /nfs/dbraw/zinc/91/65/22/968916522.db2.gz HEKYKXFHLBJIDO-UHFFFAOYSA-N 1 2 283.759 1.930 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc(C#N)n2C)C1 ZINC001361405745 970177620 /nfs/dbraw/zinc/17/76/20/970177620.db2.gz UHJZQNXUWVQVDS-NSHDSACASA-N 1 2 283.335 1.260 20 30 CDEDLO C#CCOCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001522888213 970605247 /nfs/dbraw/zinc/60/52/47/970605247.db2.gz NUVFSIBCFVSTAG-UHFFFAOYSA-N 1 2 257.293 1.056 20 30 CDEDLO C[N@H+](CCNC(=O)c1ccn[nH]1)Cc1ccccc1C#N ZINC001371923487 972689521 /nfs/dbraw/zinc/68/95/21/972689521.db2.gz OCPCUZVVGOADPD-UHFFFAOYSA-N 1 2 283.335 1.143 20 30 CDEDLO C[N@@H+](CCNC(=O)c1ccn[nH]1)Cc1ccccc1C#N ZINC001371923487 972689524 /nfs/dbraw/zinc/68/95/24/972689524.db2.gz OCPCUZVVGOADPD-UHFFFAOYSA-N 1 2 283.335 1.143 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(C)nn1 ZINC001406610754 976300603 /nfs/dbraw/zinc/30/06/03/976300603.db2.gz OZISUHVMMZNGFH-LLVKDONJSA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C)nn1 ZINC001406610754 976300618 /nfs/dbraw/zinc/30/06/18/976300618.db2.gz OZISUHVMMZNGFH-LLVKDONJSA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)CN1CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001406840702 976434427 /nfs/dbraw/zinc/43/44/27/976434427.db2.gz LECXZLRMJIJPIZ-GFCCVEGCSA-N 1 2 282.775 1.216 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C(C)(C)CCOC ZINC001390839547 976553473 /nfs/dbraw/zinc/55/34/73/976553473.db2.gz RZNRHTDXBRIHCJ-UHFFFAOYSA-N 1 2 276.808 1.850 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C(C)(C)CCOC ZINC001390839547 976553479 /nfs/dbraw/zinc/55/34/79/976553479.db2.gz RZNRHTDXBRIHCJ-UHFFFAOYSA-N 1 2 276.808 1.850 20 30 CDEDLO CC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1ccn(C(C)C)n1 ZINC001399694843 976647472 /nfs/dbraw/zinc/64/74/72/976647472.db2.gz UPRWEKATSBJENC-ZDUSSCGKSA-N 1 2 291.399 1.562 20 30 CDEDLO CC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1ccn(C(C)C)n1 ZINC001399694843 976647474 /nfs/dbraw/zinc/64/74/74/976647474.db2.gz UPRWEKATSBJENC-ZDUSSCGKSA-N 1 2 291.399 1.562 20 30 CDEDLO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(N)=O)C2)CCC1 ZINC001132283359 1163222449 /nfs/dbraw/zinc/22/24/49/1163222449.db2.gz WNEGEWISORZETF-STQMWFEESA-N 1 2 293.411 1.187 20 30 CDEDLO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(N)=O)C2)CCC1 ZINC001132283359 1163222454 /nfs/dbraw/zinc/22/24/54/1163222454.db2.gz WNEGEWISORZETF-STQMWFEESA-N 1 2 293.411 1.187 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nc2c(o1)CCCC2 ZINC001132391961 1163264555 /nfs/dbraw/zinc/26/45/55/1163264555.db2.gz SWYPCYXAHVNJTE-UHFFFAOYSA-N 1 2 291.395 1.971 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NCC[NH2+]Cc1csnn1 ZINC001132653400 1163415703 /nfs/dbraw/zinc/41/57/03/1163415703.db2.gz LBRGRMRMGGPVLX-JTQLQIEISA-N 1 2 268.386 1.346 20 30 CDEDLO C=CCC1(C(=O)NCC[NH2+]Cc2ncc(C)o2)CCC1 ZINC001133392118 1163670465 /nfs/dbraw/zinc/67/04/65/1163670465.db2.gz HYELBKOQEXZIHK-UHFFFAOYSA-N 1 2 277.368 1.935 20 30 CDEDLO COC(=O)[C@@H]([NH2+]Cc1ccc(C#N)cc1C)C1CC1 ZINC000585816496 342456583 /nfs/dbraw/zinc/45/65/83/342456583.db2.gz VMLUYLICBSKNHH-AWEZNQCLSA-N 1 2 258.321 1.908 20 30 CDEDLO CCN1CC[NH+]([C@H](C)CNc2cc(C#N)cc(C)n2)CC1 ZINC000587210546 342474677 /nfs/dbraw/zinc/47/46/77/342474677.db2.gz NSFYPDRLSXTPHZ-CQSZACIVSA-N 1 2 287.411 1.122 20 30 CDEDLO CC(C)(CNC(=O)CCCCCC#N)[NH+]1CCOCC1 ZINC000588147775 342493452 /nfs/dbraw/zinc/49/34/52/342493452.db2.gz NSKKGVOHOSQXFZ-UHFFFAOYSA-N 1 2 281.400 1.687 20 30 CDEDLO CSc1ccccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000589827878 342514844 /nfs/dbraw/zinc/51/48/44/342514844.db2.gz VLEDRMHJDQMPLY-AWEZNQCLSA-N 1 2 277.393 1.982 20 30 CDEDLO COC(=O)[C@H](NCc1c[nH+]cn1C)c1cccc(C#N)c1 ZINC000290610850 342535944 /nfs/dbraw/zinc/53/59/44/342535944.db2.gz KGAHNUXUIPXZKA-CQSZACIVSA-N 1 2 284.319 1.296 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)c1ccccc1CC#N ZINC000601425538 342561694 /nfs/dbraw/zinc/56/16/94/342561694.db2.gz RUTAVOUUQHLWSW-UHFFFAOYSA-N 1 2 268.320 1.459 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000351544160 361749008 /nfs/dbraw/zinc/74/90/08/361749008.db2.gz JWDLHAORFWULPA-KGLIPLIRSA-N 1 2 294.374 1.415 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000351544160 361749011 /nfs/dbraw/zinc/74/90/11/361749011.db2.gz JWDLHAORFWULPA-KGLIPLIRSA-N 1 2 294.374 1.415 20 30 CDEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3nc[nH]c3C2)cc1 ZINC000590601171 342577599 /nfs/dbraw/zinc/57/75/99/342577599.db2.gz RCFZRTWJGRSHQI-CYBMUJFWSA-N 1 2 298.346 1.079 20 30 CDEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCc3nc[nH]c3C2)cc1 ZINC000590601171 342577600 /nfs/dbraw/zinc/57/76/00/342577600.db2.gz RCFZRTWJGRSHQI-CYBMUJFWSA-N 1 2 298.346 1.079 20 30 CDEDLO N#CCSCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000046025056 342049067 /nfs/dbraw/zinc/04/90/67/342049067.db2.gz UPRZXOUFZJKVOB-UHFFFAOYSA-N 1 2 260.322 1.207 20 30 CDEDLO Cc1cc(C)c(C#N)c(NCC[N@H+]2CCOC[C@@H]2C)n1 ZINC000609150208 342092454 /nfs/dbraw/zinc/09/24/54/342092454.db2.gz XZCSNEOFCMFBQD-ZDUSSCGKSA-N 1 2 274.368 1.703 20 30 CDEDLO Cc1cc(C)c(C#N)c(NCC[N@@H+]2CCOC[C@@H]2C)n1 ZINC000609150208 342092455 /nfs/dbraw/zinc/09/24/55/342092455.db2.gz XZCSNEOFCMFBQD-ZDUSSCGKSA-N 1 2 274.368 1.703 20 30 CDEDLO C[C@@H]1C[C@H](NC(=O)c2cc(O)cc(C#N)c2)c2[nH+]ccn21 ZINC000590875703 342602468 /nfs/dbraw/zinc/60/24/68/342602468.db2.gz FAFUDAWVOWSIAH-RNCFNFMXSA-N 1 2 282.303 1.896 20 30 CDEDLO Cc1cc(F)c(F)cc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000591241488 342622450 /nfs/dbraw/zinc/62/24/50/342622450.db2.gz CUFLXGVJKRPFQM-NSHDSACASA-N 1 2 284.306 1.858 20 30 CDEDLO Cc1cc(F)c(F)cc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000591241488 342622451 /nfs/dbraw/zinc/62/24/51/342622451.db2.gz CUFLXGVJKRPFQM-NSHDSACASA-N 1 2 284.306 1.858 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147128 342673599 /nfs/dbraw/zinc/67/35/99/342673599.db2.gz LVFAHMHUXKBRHQ-WFASDCNBSA-N 1 2 273.336 1.364 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147128 342673600 /nfs/dbraw/zinc/67/36/00/342673600.db2.gz LVFAHMHUXKBRHQ-WFASDCNBSA-N 1 2 273.336 1.364 20 30 CDEDLO CCC[C@@H](C(=O)OCC)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150503 342668551 /nfs/dbraw/zinc/66/85/51/342668551.db2.gz FLEQMOXDQXUHCL-WCQYABFASA-N 1 2 254.330 1.069 20 30 CDEDLO CCC[C@@H](C(=O)OCC)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150503 342668552 /nfs/dbraw/zinc/66/85/52/342668552.db2.gz FLEQMOXDQXUHCL-WCQYABFASA-N 1 2 254.330 1.069 20 30 CDEDLO COC(=O)c1ccc(C[N@@H+]2CC[C@](O)(CC#N)C2)s1 ZINC000592150297 342668614 /nfs/dbraw/zinc/66/86/14/342668614.db2.gz DMWDZSUHVPYYKJ-CYBMUJFWSA-N 1 2 280.349 1.385 20 30 CDEDLO COC(=O)c1ccc(C[N@H+]2CC[C@](O)(CC#N)C2)s1 ZINC000592150297 342668615 /nfs/dbraw/zinc/66/86/15/342668615.db2.gz DMWDZSUHVPYYKJ-CYBMUJFWSA-N 1 2 280.349 1.385 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NCCC2CCCCC2)C1 ZINC000592150529 342668680 /nfs/dbraw/zinc/66/86/80/342668680.db2.gz FZGMYGYPNDGCNR-INIZCTEOSA-N 1 2 293.411 1.423 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NCCC2CCCCC2)C1 ZINC000592150529 342668681 /nfs/dbraw/zinc/66/86/81/342668681.db2.gz FZGMYGYPNDGCNR-INIZCTEOSA-N 1 2 293.411 1.423 20 30 CDEDLO C[C@@]1(C#N)CCC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000619049754 349605399 /nfs/dbraw/zinc/60/53/99/349605399.db2.gz QZHFPQHRTGDEQV-RYUDHWBXSA-N 1 2 256.371 1.047 20 30 CDEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000619049754 349605401 /nfs/dbraw/zinc/60/54/01/349605401.db2.gz QZHFPQHRTGDEQV-RYUDHWBXSA-N 1 2 256.371 1.047 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000592523175 342702830 /nfs/dbraw/zinc/70/28/30/342702830.db2.gz WSYTWTMAYWKGIG-CQSZACIVSA-N 1 2 277.393 1.872 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000592523175 342702832 /nfs/dbraw/zinc/70/28/32/342702832.db2.gz WSYTWTMAYWKGIG-CQSZACIVSA-N 1 2 277.393 1.872 20 30 CDEDLO N#Cc1cccc(CCNC(=O)CCn2cc[nH+]c2)c1 ZINC000340595457 361868837 /nfs/dbraw/zinc/86/88/37/361868837.db2.gz LSXYQLDFMRUJCP-UHFFFAOYSA-N 1 2 268.320 1.504 20 30 CDEDLO CC[C@@H]1COC(C)(C)C[N@@H+]1CC(=O)N(CC)C[C@H](C)C#N ZINC000593056890 342760462 /nfs/dbraw/zinc/76/04/62/342760462.db2.gz QKVOGQYLAHUETQ-ZIAGYGMSSA-N 1 2 295.427 1.884 20 30 CDEDLO CC[C@@H]1COC(C)(C)C[N@H+]1CC(=O)N(CC)C[C@H](C)C#N ZINC000593056890 342760463 /nfs/dbraw/zinc/76/04/63/342760463.db2.gz QKVOGQYLAHUETQ-ZIAGYGMSSA-N 1 2 295.427 1.884 20 30 CDEDLO CC[C@H](C)[C@H](OC)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593153030 342773929 /nfs/dbraw/zinc/77/39/29/342773929.db2.gz DYQMFJMLPGAPDH-GMXVVIOVSA-N 1 2 255.362 1.008 20 30 CDEDLO COc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(Cl)c1 ZINC000593154714 342774056 /nfs/dbraw/zinc/77/40/56/342774056.db2.gz VGAZEYOEOWWRCZ-CQSZACIVSA-N 1 2 295.770 1.922 20 30 CDEDLO CSCC1(CC(=O)N[C@](C)(C#N)C[NH+](C)C)CC1 ZINC000593153435 342774259 /nfs/dbraw/zinc/77/42/59/342774259.db2.gz OZWRBBXDWICFSL-GFCCVEGCSA-N 1 2 269.414 1.480 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc2ccncc21 ZINC000593153350 342774294 /nfs/dbraw/zinc/77/42/94/342774294.db2.gz LKDXZACUYINMBI-INIZCTEOSA-N 1 2 282.347 1.808 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000593387321 342793510 /nfs/dbraw/zinc/79/35/10/342793510.db2.gz NWQFEXRJIAQBRG-GFCCVEGCSA-N 1 2 277.393 1.942 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1ccccc1C ZINC000594011629 342862095 /nfs/dbraw/zinc/86/20/95/342862095.db2.gz DYFJRZJRNPQJGG-CQSZACIVSA-N 1 2 259.353 1.893 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1scc2c1OCCO2 ZINC000594024671 342867373 /nfs/dbraw/zinc/86/73/73/342867373.db2.gz URWKQICTHJCHKY-ZDUSSCGKSA-N 1 2 295.364 1.093 20 30 CDEDLO N#Cc1cccc(C[NH+]2CCN(c3nc[nH]n3)CC2)c1F ZINC000602869614 539101355 /nfs/dbraw/zinc/10/13/55/539101355.db2.gz MLTIRQBFCFCCJS-UHFFFAOYSA-N 1 2 286.314 1.138 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCc1c[nH+]cn1C)OCC ZINC000291111573 539132824 /nfs/dbraw/zinc/13/28/24/539132824.db2.gz COJOQNPGVLSUBU-GFCCVEGCSA-N 1 2 251.330 1.408 20 30 CDEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCc2c[nH]nc2C1 ZINC000599339657 344013182 /nfs/dbraw/zinc/01/31/82/344013182.db2.gz HWHRZAPMDUPBLK-CQSZACIVSA-N 1 2 298.346 1.079 20 30 CDEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCc2c[nH]nc2C1 ZINC000599339657 344013184 /nfs/dbraw/zinc/01/31/84/344013184.db2.gz HWHRZAPMDUPBLK-CQSZACIVSA-N 1 2 298.346 1.079 20 30 CDEDLO CCC[N@H+](CC(=O)NCC#N)Cc1ccccc1F ZINC000609419771 342301135 /nfs/dbraw/zinc/30/11/35/342301135.db2.gz UKONEZIULFIFAX-UHFFFAOYSA-N 1 2 263.316 1.677 20 30 CDEDLO CCC[N@@H+](CC(=O)NCC#N)Cc1ccccc1F ZINC000609419771 342301136 /nfs/dbraw/zinc/30/11/36/342301136.db2.gz UKONEZIULFIFAX-UHFFFAOYSA-N 1 2 263.316 1.677 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000595297156 343027225 /nfs/dbraw/zinc/02/72/25/343027225.db2.gz BQYSRWHWLQCZCM-XJFOESAGSA-N 1 2 263.385 1.915 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000595297156 343027227 /nfs/dbraw/zinc/02/72/27/343027227.db2.gz BQYSRWHWLQCZCM-XJFOESAGSA-N 1 2 263.385 1.915 20 30 CDEDLO Cc1ncncc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330325871 282225194 /nfs/dbraw/zinc/22/51/94/282225194.db2.gz UUZVVJDBRHQYIC-SNVBAGLBSA-N 1 2 257.297 1.301 20 30 CDEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@](C)(O)C2)c(C#N)c1C ZINC000226812036 362087822 /nfs/dbraw/zinc/08/78/22/362087822.db2.gz KIGIWNZBTHPXNI-AWEZNQCLSA-N 1 2 293.392 1.632 20 30 CDEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@](C)(O)C2)c(C#N)c1C ZINC000226812036 362087828 /nfs/dbraw/zinc/08/78/28/362087828.db2.gz KIGIWNZBTHPXNI-AWEZNQCLSA-N 1 2 293.392 1.632 20 30 CDEDLO N#Cc1cnnc(N2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000596057376 343222710 /nfs/dbraw/zinc/22/27/10/343222710.db2.gz NNZUOHABMXHCAI-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000081039583 342363391 /nfs/dbraw/zinc/36/33/91/342363391.db2.gz XJWXNEDOUJWXIR-GFCCVEGCSA-N 1 2 294.399 1.769 20 30 CDEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000081039583 342363392 /nfs/dbraw/zinc/36/33/92/342363392.db2.gz XJWXNEDOUJWXIR-GFCCVEGCSA-N 1 2 294.399 1.769 20 30 CDEDLO CCc1nc(C#N)cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000596173439 343259632 /nfs/dbraw/zinc/25/96/32/343259632.db2.gz VUOAVFDFXJGYIO-GFCCVEGCSA-N 1 2 294.362 1.418 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCC1(C#N)CCC1 ZINC000596632807 343362112 /nfs/dbraw/zinc/36/21/12/343362112.db2.gz ORFHHRXTWYWGIJ-OLZOCXBDSA-N 1 2 294.399 1.089 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCC1(C#N)CCC1 ZINC000596632807 343362113 /nfs/dbraw/zinc/36/21/13/343362113.db2.gz ORFHHRXTWYWGIJ-OLZOCXBDSA-N 1 2 294.399 1.089 20 30 CDEDLO COc1cncc(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)c1 ZINC000588963595 342446187 /nfs/dbraw/zinc/44/61/87/342446187.db2.gz APHRTLUVYGXRJQ-INIZCTEOSA-N 1 2 288.395 1.756 20 30 CDEDLO N#Cc1ccccc1N1CC[NH+](Cc2cccnc2N)CC1 ZINC000290139366 362206068 /nfs/dbraw/zinc/20/60/68/362206068.db2.gz VQKDTHPWNYRZIF-UHFFFAOYSA-N 1 2 293.374 1.858 20 30 CDEDLO Cn1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)n1 ZINC000332426896 136384162 /nfs/dbraw/zinc/38/41/62/136384162.db2.gz UMPPMHIICDKYAU-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO N#CC1(C(=O)NCc2ccc[nH+]c2N2CCCC2)CCC1 ZINC000597940287 343673292 /nfs/dbraw/zinc/67/32/92/343673292.db2.gz HOHRMDIZBIEYQG-UHFFFAOYSA-N 1 2 284.363 1.992 20 30 CDEDLO CC[C@@H](C#N)C(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000597847213 343652592 /nfs/dbraw/zinc/65/25/92/343652592.db2.gz ORUOUXKKRXKYLF-QWRGUYRKSA-N 1 2 278.356 1.146 20 30 CDEDLO C[C@]1(C#N)CCCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000612002665 346962365 /nfs/dbraw/zinc/96/23/65/346962365.db2.gz LFUYXLPWIAGTBW-CYBMUJFWSA-N 1 2 261.329 1.218 20 30 CDEDLO C=C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)C(=O)OC ZINC000619704250 349861004 /nfs/dbraw/zinc/86/10/04/349861004.db2.gz ZXTCYJVUHZEKCH-GVXVVHGQSA-N 1 2 271.382 1.358 20 30 CDEDLO COC(=O)C1([NH2+]C[C@@H](O)CC(C)(C)C#N)CCCC1 ZINC000598599423 343830982 /nfs/dbraw/zinc/83/09/82/343830982.db2.gz NUDDMQSNJMETRY-NSHDSACASA-N 1 2 268.357 1.363 20 30 CDEDLO C[C@@H]1C[N@@H+](C[C@H](O)CC(C)(C)C#N)C[C@H](C)[S@@]1=O ZINC000598615323 343842700 /nfs/dbraw/zinc/84/27/00/343842700.db2.gz KKDMPJIMCLBTMZ-QPSSLKIMSA-N 1 2 272.414 1.128 20 30 CDEDLO C[C@@H]1C[N@H+](C[C@H](O)CC(C)(C)C#N)C[C@H](C)[S@@]1=O ZINC000598615323 343842703 /nfs/dbraw/zinc/84/27/03/343842703.db2.gz KKDMPJIMCLBTMZ-QPSSLKIMSA-N 1 2 272.414 1.128 20 30 CDEDLO Cc1noc(C[N@H+](C)C[C@H](O)CC(C)(C)C#N)n1 ZINC000598622205 343845885 /nfs/dbraw/zinc/84/58/85/343845885.db2.gz GFHLJCXIQSDPGG-SNVBAGLBSA-N 1 2 252.318 1.111 20 30 CDEDLO Cc1noc(C[N@@H+](C)C[C@H](O)CC(C)(C)C#N)n1 ZINC000598622205 343845886 /nfs/dbraw/zinc/84/58/86/343845886.db2.gz GFHLJCXIQSDPGG-SNVBAGLBSA-N 1 2 252.318 1.111 20 30 CDEDLO N#CCNC(=O)C[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000599516884 344073504 /nfs/dbraw/zinc/07/35/04/344073504.db2.gz YXRLJPXSNMEIGB-LBPRGKRZSA-N 1 2 293.317 1.784 20 30 CDEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000599516884 344073506 /nfs/dbraw/zinc/07/35/06/344073506.db2.gz YXRLJPXSNMEIGB-LBPRGKRZSA-N 1 2 293.317 1.784 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599648098 344102421 /nfs/dbraw/zinc/10/24/21/344102421.db2.gz TZAOYMPHDQDPCC-GFCCVEGCSA-N 1 2 287.363 1.511 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCc2c(O)cccc2C1 ZINC000599648098 344102424 /nfs/dbraw/zinc/10/24/24/344102424.db2.gz TZAOYMPHDQDPCC-GFCCVEGCSA-N 1 2 287.363 1.511 20 30 CDEDLO C[C@H](NC(=O)c1ccccc1CC#N)c1[nH+]ccn1C ZINC000601676626 344219137 /nfs/dbraw/zinc/21/91/37/344219137.db2.gz UHSHMTVHMJPNEW-NSHDSACASA-N 1 2 268.320 1.977 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(=O)OC ZINC000602642812 344512523 /nfs/dbraw/zinc/51/25/23/344512523.db2.gz AAQCNZAHSGIUIU-DGAVXFQQSA-N 1 2 295.379 1.278 20 30 CDEDLO COc1ncc(C[N@@H+]2CC[C@](O)(CC#N)C2)s1 ZINC000602697392 344544298 /nfs/dbraw/zinc/54/42/98/344544298.db2.gz PGXDLLOETGOWTD-LLVKDONJSA-N 1 2 253.327 1.002 20 30 CDEDLO COc1ncc(C[N@H+]2CC[C@](O)(CC#N)C2)s1 ZINC000602697392 344544300 /nfs/dbraw/zinc/54/43/00/344544300.db2.gz PGXDLLOETGOWTD-LLVKDONJSA-N 1 2 253.327 1.002 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)NCc1cccs1 ZINC000602861257 344616740 /nfs/dbraw/zinc/61/67/40/344616740.db2.gz FSIQVMATPUPFBM-UWVGGRQHSA-N 1 2 251.355 1.645 20 30 CDEDLO CCc1ccc(CNC(=O)C[NH2+][C@H](C)CC#N)s1 ZINC000602861726 344617173 /nfs/dbraw/zinc/61/71/73/344617173.db2.gz HZJXTCPVDZYIJC-SNVBAGLBSA-N 1 2 265.382 1.818 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(CCC#N)c1ccccc1 ZINC000602863199 344618772 /nfs/dbraw/zinc/61/87/72/344618772.db2.gz LVXTXJXXSOWQFS-ZDUSSCGKSA-N 1 2 270.336 1.825 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)NCC1CCCCC1 ZINC000602863738 344637487 /nfs/dbraw/zinc/63/74/87/344637487.db2.gz POIZVSDCUZIGJZ-VXGBXAGGSA-N 1 2 251.374 1.963 20 30 CDEDLO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000602863562 344637617 /nfs/dbraw/zinc/63/76/17/344637617.db2.gz OHQLLMSPMRZDQZ-QWRGUYRKSA-N 1 2 261.325 1.914 20 30 CDEDLO C[C@]1(C#N)CCC[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000612161948 347064372 /nfs/dbraw/zinc/06/43/72/347064372.db2.gz CVZSKXSKIOAGIS-OAHLLOKOSA-N 1 2 257.337 1.911 20 30 CDEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000612161948 347064377 /nfs/dbraw/zinc/06/43/77/347064377.db2.gz CVZSKXSKIOAGIS-OAHLLOKOSA-N 1 2 257.337 1.911 20 30 CDEDLO C[C@@H](CC#N)[NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000602870626 344640933 /nfs/dbraw/zinc/64/09/33/344640933.db2.gz UXHRIRBYKLUTSW-VIFPVBQESA-N 1 2 276.727 1.740 20 30 CDEDLO C[C@]1(C#N)CCCN(CCC[NH+]2CCOCC2)C1 ZINC000612164439 347066990 /nfs/dbraw/zinc/06/69/90/347066990.db2.gz CBMABNDELMPTFL-CQSZACIVSA-N 1 2 251.374 1.334 20 30 CDEDLO N#CCc1ccc(Cn2cc[nH+]c2CN2CCOCC2)cc1 ZINC000603419923 344799704 /nfs/dbraw/zinc/79/97/04/344799704.db2.gz CKIXCGGRPVQQQK-UHFFFAOYSA-N 1 2 296.374 1.830 20 30 CDEDLO C#CCCN1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000127315236 187296446 /nfs/dbraw/zinc/29/64/46/187296446.db2.gz YQDPVJWOEZEBJG-UHFFFAOYSA-N 1 2 283.375 1.578 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@@H](C(C)C)C2)C1=O ZINC000337178965 345064945 /nfs/dbraw/zinc/06/49/45/345064945.db2.gz KTLUJHORDCQHEE-QWHCGFSZSA-N 1 2 252.358 1.130 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@@H](C(C)C)C2)C1=O ZINC000337178965 345064949 /nfs/dbraw/zinc/06/49/49/345064949.db2.gz KTLUJHORDCQHEE-QWHCGFSZSA-N 1 2 252.358 1.130 20 30 CDEDLO Cc1cc(N2CCN(c3ccc(C#N)cn3)CC2)nc[nH+]1 ZINC000609502898 345109043 /nfs/dbraw/zinc/10/90/43/345109043.db2.gz XJDIWUHTRDFNJK-UHFFFAOYSA-N 1 2 280.335 1.378 20 30 CDEDLO COCC[N@H+](CCC#N)Cc1ccc(-n2cncn2)c(C)c1 ZINC000093099910 345452362 /nfs/dbraw/zinc/45/23/62/345452362.db2.gz OYFNSGNUFBKDDS-UHFFFAOYSA-N 1 2 299.378 1.938 20 30 CDEDLO COCC[N@@H+](CCC#N)Cc1ccc(-n2cncn2)c(C)c1 ZINC000093099910 345452367 /nfs/dbraw/zinc/45/23/67/345452367.db2.gz OYFNSGNUFBKDDS-UHFFFAOYSA-N 1 2 299.378 1.938 20 30 CDEDLO N#CC1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000619535277 345461947 /nfs/dbraw/zinc/46/19/47/345461947.db2.gz DVFOQSKQNDZOMJ-UHFFFAOYSA-N 1 2 289.291 1.759 20 30 CDEDLO Cc1nnc(C[N@H+](C)CCOc2cccc(C#N)c2)o1 ZINC000609540911 345596951 /nfs/dbraw/zinc/59/69/51/345596951.db2.gz LQYMCCSDXGBCFL-UHFFFAOYSA-N 1 2 272.308 1.761 20 30 CDEDLO Cc1nnc(C[N@@H+](C)CCOc2cccc(C#N)c2)o1 ZINC000609540911 345596952 /nfs/dbraw/zinc/59/69/52/345596952.db2.gz LQYMCCSDXGBCFL-UHFFFAOYSA-N 1 2 272.308 1.761 20 30 CDEDLO C#CC[N@H+]1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000111289748 345798258 /nfs/dbraw/zinc/79/82/58/345798258.db2.gz UTWDXVMMNAFISJ-TXEJJXNPSA-N 1 2 252.358 1.949 20 30 CDEDLO C#CC[N@@H+]1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000111289748 345798271 /nfs/dbraw/zinc/79/82/71/345798271.db2.gz UTWDXVMMNAFISJ-TXEJJXNPSA-N 1 2 252.358 1.949 20 30 CDEDLO C=CCN(C(=O)CCCn1cc[nH+]c1)[C@H](C)COC ZINC000617578130 345863788 /nfs/dbraw/zinc/86/37/88/345863788.db2.gz CUGJPFIHEIFBAL-CYBMUJFWSA-N 1 2 265.357 1.713 20 30 CDEDLO C=CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@H](C)COC ZINC000617584867 345868837 /nfs/dbraw/zinc/86/88/37/345868837.db2.gz NMOGTZDGDIEGTN-NWDGAFQWSA-N 1 2 265.357 1.638 20 30 CDEDLO C=CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@H](C)COC ZINC000617584867 345868840 /nfs/dbraw/zinc/86/88/40/345868840.db2.gz NMOGTZDGDIEGTN-NWDGAFQWSA-N 1 2 265.357 1.638 20 30 CDEDLO COCC[N@@H+](CCC#N)CCOc1ccc(OC)cc1 ZINC000088401885 346051311 /nfs/dbraw/zinc/05/13/11/346051311.db2.gz DQWBKSBZZSGUCW-UHFFFAOYSA-N 1 2 278.352 1.936 20 30 CDEDLO COCC[N@H+](CCC#N)CCOc1ccc(OC)cc1 ZINC000088401885 346051313 /nfs/dbraw/zinc/05/13/13/346051313.db2.gz DQWBKSBZZSGUCW-UHFFFAOYSA-N 1 2 278.352 1.936 20 30 CDEDLO CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccoc1 ZINC000102409265 346231108 /nfs/dbraw/zinc/23/11/08/346231108.db2.gz GBSPKTNVVLEFOI-HNNXBMFYSA-N 1 2 275.352 1.910 20 30 CDEDLO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccoc1 ZINC000102409265 346231110 /nfs/dbraw/zinc/23/11/10/346231110.db2.gz GBSPKTNVVLEFOI-HNNXBMFYSA-N 1 2 275.352 1.910 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCSC[C@@H]2CO)s1 ZINC000584847215 346456401 /nfs/dbraw/zinc/45/64/01/346456401.db2.gz IEXCRIKVDPTFSD-VIFPVBQESA-N 1 2 254.380 1.529 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCSC[C@@H]2CO)s1 ZINC000584847215 346456404 /nfs/dbraw/zinc/45/64/04/346456404.db2.gz IEXCRIKVDPTFSD-VIFPVBQESA-N 1 2 254.380 1.529 20 30 CDEDLO COc1ccc(C[NH+]2CCN(CC#N)CC2)c(F)c1 ZINC000228602469 346543548 /nfs/dbraw/zinc/54/35/48/346543548.db2.gz CIAKUFPISJVTGN-UHFFFAOYSA-N 1 2 263.316 1.475 20 30 CDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC23CCC3)c1 ZINC000611089379 346604319 /nfs/dbraw/zinc/60/43/19/346604319.db2.gz AWKYHZWHYHLJDY-UHFFFAOYSA-N 1 2 290.388 1.960 20 30 CDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC23CCC3)c1 ZINC000611089379 346604321 /nfs/dbraw/zinc/60/43/21/346604321.db2.gz AWKYHZWHYHLJDY-UHFFFAOYSA-N 1 2 290.388 1.960 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1[nH]cc[nH+]1 ZINC000611191165 346686029 /nfs/dbraw/zinc/68/60/29/346686029.db2.gz VHAHJCPSQBAHPX-LLVKDONJSA-N 1 2 283.335 1.740 20 30 CDEDLO CN(C)c1cc[nH+]c(NC(=O)c2cc(C#N)c[nH]2)c1 ZINC000612345508 347123591 /nfs/dbraw/zinc/12/35/91/347123591.db2.gz IUPHYITZJCAKDX-UHFFFAOYSA-N 1 2 255.281 1.600 20 30 CDEDLO C=CCC1(C(=O)NCC[N@H+]2CCOC[C@H]2C)CCCC1 ZINC000449845238 362776496 /nfs/dbraw/zinc/77/64/96/362776496.db2.gz ZKKBSYYATAABBN-CQSZACIVSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CCC1(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CCCC1 ZINC000449845238 362776500 /nfs/dbraw/zinc/77/65/00/362776500.db2.gz ZKKBSYYATAABBN-CQSZACIVSA-N 1 2 280.412 1.960 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(CC)cc2)CC1 ZINC000490778918 347577612 /nfs/dbraw/zinc/57/76/12/347577612.db2.gz ORPPVQSNTYPRHJ-UHFFFAOYSA-N 1 2 285.391 1.438 20 30 CDEDLO C#C[C@H](CCC)NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000491695384 347587066 /nfs/dbraw/zinc/58/70/66/347587066.db2.gz MOBFXPDAYURXFT-CHWSQXEVSA-N 1 2 274.368 1.972 20 30 CDEDLO C#C[C@H](CC)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000491812918 347589562 /nfs/dbraw/zinc/58/95/62/347589562.db2.gz PHLOSQYRZBQRDA-SECBINFHSA-N 1 2 288.273 1.656 20 30 CDEDLO CC(C)(CCC#N)CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000355104399 365912680 /nfs/dbraw/zinc/91/26/80/365912680.db2.gz XLINAMCDPSWSDU-LBPRGKRZSA-N 1 2 289.383 1.827 20 30 CDEDLO C=CC[N@@H+](CC(=O)NC(=O)NCC)Cc1ccccc1F ZINC000056312436 348815845 /nfs/dbraw/zinc/81/58/45/348815845.db2.gz QADLIFGWDZAHGQ-UHFFFAOYSA-N 1 2 293.342 1.659 20 30 CDEDLO C=CC[N@H+](CC(=O)NC(=O)NCC)Cc1ccccc1F ZINC000056312436 348815848 /nfs/dbraw/zinc/81/58/48/348815848.db2.gz QADLIFGWDZAHGQ-UHFFFAOYSA-N 1 2 293.342 1.659 20 30 CDEDLO N#Cc1ccc(NCC(=O)NCCNc2cccc[nH+]2)cc1 ZINC000064723420 348945792 /nfs/dbraw/zinc/94/57/92/348945792.db2.gz SDZBOOYRNATLPE-UHFFFAOYSA-N 1 2 295.346 1.593 20 30 CDEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000072692447 349128939 /nfs/dbraw/zinc/12/89/39/349128939.db2.gz ODAVZSWKUWBYOG-GJZGRUSLSA-N 1 2 295.427 1.884 20 30 CDEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000072692447 349128942 /nfs/dbraw/zinc/12/89/42/349128942.db2.gz ODAVZSWKUWBYOG-GJZGRUSLSA-N 1 2 295.427 1.884 20 30 CDEDLO N#CC1(NC(=O)C[N@H+](C2CC2)C2COC2)CCCCC1 ZINC000333148713 362945150 /nfs/dbraw/zinc/94/51/50/362945150.db2.gz AHMMSOUGSVVXSH-UHFFFAOYSA-N 1 2 277.368 1.192 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+](C2CC2)C2COC2)CCCCC1 ZINC000333148713 362945156 /nfs/dbraw/zinc/94/51/56/362945156.db2.gz AHMMSOUGSVVXSH-UHFFFAOYSA-N 1 2 277.368 1.192 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601974953 350037398 /nfs/dbraw/zinc/03/73/98/350037398.db2.gz VCQMPCDATIGIID-QLFBSQMISA-N 1 2 286.331 1.351 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601974953 350037401 /nfs/dbraw/zinc/03/74/01/350037401.db2.gz VCQMPCDATIGIID-QLFBSQMISA-N 1 2 286.331 1.351 20 30 CDEDLO C[C@@H]1[C@H]([NH2+]Cc2cccc(F)c2C#N)CCS1(=O)=O ZINC000602018287 350044480 /nfs/dbraw/zinc/04/44/80/350044480.db2.gz XYUBHYZTTVTZFB-NOZJJQNGSA-N 1 2 282.340 1.363 20 30 CDEDLO Cn1ncnc1C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000602659797 350137771 /nfs/dbraw/zinc/13/77/71/350137771.db2.gz XHNUFZGKNIXOKL-UHFFFAOYSA-N 1 2 261.716 1.630 20 30 CDEDLO CCOCC[NH+]1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000110918439 186332736 /nfs/dbraw/zinc/33/27/36/186332736.db2.gz ZHURUIOOSNRQRD-UHFFFAOYSA-N 1 2 287.363 1.353 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCC(=O)CC23CCC3)C1=O ZINC000653765272 412556202 /nfs/dbraw/zinc/55/62/02/412556202.db2.gz MADLHUOQQAEMDR-ZDUSSCGKSA-N 1 2 262.353 1.361 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCC(=O)CC23CCC3)C1=O ZINC000653765272 412556206 /nfs/dbraw/zinc/55/62/06/412556206.db2.gz MADLHUOQQAEMDR-ZDUSSCGKSA-N 1 2 262.353 1.361 20 30 CDEDLO CC[C@H](F)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000440694195 366038320 /nfs/dbraw/zinc/03/83/20/366038320.db2.gz BIDJJOUCODQCCQ-ZDUSSCGKSA-N 1 2 262.332 1.823 20 30 CDEDLO COCC#CC[N@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000677477095 482680226 /nfs/dbraw/zinc/68/02/26/482680226.db2.gz PSVMIWBCRYLWRI-UHFFFAOYSA-N 1 2 260.337 1.515 20 30 CDEDLO COCC#CC[N@@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000677477095 482680228 /nfs/dbraw/zinc/68/02/28/482680228.db2.gz PSVMIWBCRYLWRI-UHFFFAOYSA-N 1 2 260.337 1.515 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000152564356 188028813 /nfs/dbraw/zinc/02/88/13/188028813.db2.gz XMMXKVQOVIQKRV-AWEZNQCLSA-N 1 2 257.337 1.659 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000152564356 188028814 /nfs/dbraw/zinc/02/88/14/188028814.db2.gz XMMXKVQOVIQKRV-AWEZNQCLSA-N 1 2 257.337 1.659 20 30 CDEDLO CC#CC[N@@H+](CC)CC(=O)Nc1cccc(OC)c1 ZINC000157604776 188327582 /nfs/dbraw/zinc/32/75/82/188327582.db2.gz XKQWWTRZRLJTTM-UHFFFAOYSA-N 1 2 260.337 1.979 20 30 CDEDLO CC#CC[N@H+](CC)CC(=O)Nc1cccc(OC)c1 ZINC000157604776 188327584 /nfs/dbraw/zinc/32/75/84/188327584.db2.gz XKQWWTRZRLJTTM-UHFFFAOYSA-N 1 2 260.337 1.979 20 30 CDEDLO C=CCOCC[NH2+]C1(c2noc(C)n2)CCCC1 ZINC000292686853 198376757 /nfs/dbraw/zinc/37/67/57/198376757.db2.gz CEILBZSIEUFQGC-UHFFFAOYSA-N 1 2 251.330 1.940 20 30 CDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CC[S@@](=O)C1 ZINC000336313778 356143906 /nfs/dbraw/zinc/14/39/06/356143906.db2.gz IYCDQXAKNYQWMQ-JEOXALJRSA-N 1 2 280.368 1.898 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC[S@@](=O)C1 ZINC000336313778 356143908 /nfs/dbraw/zinc/14/39/08/356143908.db2.gz IYCDQXAKNYQWMQ-JEOXALJRSA-N 1 2 280.368 1.898 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1c(F)cc(C#N)cc1F ZINC000336848829 356375466 /nfs/dbraw/zinc/37/54/66/356375466.db2.gz NGVIKTMGQARIFT-SECBINFHSA-N 1 2 290.273 1.851 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCOCC1 ZINC000059951015 356377458 /nfs/dbraw/zinc/37/74/58/356377458.db2.gz YZOHAKNMSXCDKR-LBPRGKRZSA-N 1 2 273.336 1.608 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCOCC1 ZINC000059951015 356377461 /nfs/dbraw/zinc/37/74/61/356377461.db2.gz YZOHAKNMSXCDKR-LBPRGKRZSA-N 1 2 273.336 1.608 20 30 CDEDLO C#CC[C@@H]([NH2+]Cc1nc(N)nc(N(C)C)n1)c1ccccc1 ZINC000298906640 356960320 /nfs/dbraw/zinc/96/03/20/356960320.db2.gz MVAQETSUQYGFJM-CYBMUJFWSA-N 1 2 296.378 1.374 20 30 CDEDLO CNC(=O)C[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000267530887 283312012 /nfs/dbraw/zinc/31/20/12/283312012.db2.gz QCUUURPCRRQATQ-UHFFFAOYSA-N 1 2 284.281 1.735 20 30 CDEDLO CNC(=O)C[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000267530887 283312018 /nfs/dbraw/zinc/31/20/18/283312018.db2.gz QCUUURPCRRQATQ-UHFFFAOYSA-N 1 2 284.281 1.735 20 30 CDEDLO COCCCCO[NH+]=C(N)Cc1csc(C)n1 ZINC000089736612 358431671 /nfs/dbraw/zinc/43/16/71/358431671.db2.gz SWSIEKWCRLKNNA-UHFFFAOYSA-N 1 2 257.359 1.709 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCN(C(N)=O)CC1 ZINC000111688069 358723284 /nfs/dbraw/zinc/72/32/84/358723284.db2.gz FUGGSMUNTPFIKO-UHFFFAOYSA-N 1 2 276.315 1.284 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCN(C(N)=O)CC1 ZINC000111688069 358723287 /nfs/dbraw/zinc/72/32/87/358723287.db2.gz FUGGSMUNTPFIKO-UHFFFAOYSA-N 1 2 276.315 1.284 20 30 CDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cccnc1C#N ZINC000291179724 358888483 /nfs/dbraw/zinc/88/84/83/358888483.db2.gz RSHFLKCYCMFNDS-STQMWFEESA-N 1 2 272.352 1.253 20 30 CDEDLO C=CCCN(C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000494221992 366502480 /nfs/dbraw/zinc/50/24/80/366502480.db2.gz BPXXCCLHZWYWGG-CYBMUJFWSA-N 1 2 267.373 1.067 20 30 CDEDLO C=CCCN(C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000494221992 366502487 /nfs/dbraw/zinc/50/24/87/366502487.db2.gz BPXXCCLHZWYWGG-CYBMUJFWSA-N 1 2 267.373 1.067 20 30 CDEDLO C=CCOc1ccccc1C[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000494361567 366504326 /nfs/dbraw/zinc/50/43/26/366504326.db2.gz DCSPGSIKVVDNTD-AWEZNQCLSA-N 1 2 288.347 1.888 20 30 CDEDLO C=CCOc1ccccc1C[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000494361567 366504335 /nfs/dbraw/zinc/50/43/35/366504335.db2.gz DCSPGSIKVVDNTD-AWEZNQCLSA-N 1 2 288.347 1.888 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)NCC(=O)c1cccs1 ZINC000494691023 366508323 /nfs/dbraw/zinc/50/83/23/366508323.db2.gz NYFJQIDAXLCFGP-UHFFFAOYSA-N 1 2 252.339 1.165 20 30 CDEDLO C=CC[N@H+](C)CC(=O)NCC(=O)c1cccs1 ZINC000494691023 366508328 /nfs/dbraw/zinc/50/83/28/366508328.db2.gz NYFJQIDAXLCFGP-UHFFFAOYSA-N 1 2 252.339 1.165 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000346019115 358966493 /nfs/dbraw/zinc/96/64/93/358966493.db2.gz SXYQGPWCOUECQS-ZDUSSCGKSA-N 1 2 283.416 1.751 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000338173383 359094939 /nfs/dbraw/zinc/09/49/39/359094939.db2.gz GAOAHIPGAALSOR-OAHLLOKOSA-N 1 2 299.374 1.460 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000338173383 359094942 /nfs/dbraw/zinc/09/49/42/359094942.db2.gz GAOAHIPGAALSOR-OAHLLOKOSA-N 1 2 299.374 1.460 20 30 CDEDLO CCC[N@H+](Cc1ccc(C#N)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000570055461 359278369 /nfs/dbraw/zinc/27/83/69/359278369.db2.gz VKVZJPSBOOSYCF-CQSZACIVSA-N 1 2 293.392 1.352 20 30 CDEDLO CCC[N@@H+](Cc1ccc(C#N)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000570055461 359278374 /nfs/dbraw/zinc/27/83/74/359278374.db2.gz VKVZJPSBOOSYCF-CQSZACIVSA-N 1 2 293.392 1.352 20 30 CDEDLO C=C(Cl)CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000265535880 359331019 /nfs/dbraw/zinc/33/10/19/359331019.db2.gz JZARJESFXYTFTC-UHFFFAOYSA-N 1 2 275.780 1.149 20 30 CDEDLO C=C(Cl)CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000265535880 359331020 /nfs/dbraw/zinc/33/10/20/359331020.db2.gz JZARJESFXYTFTC-UHFFFAOYSA-N 1 2 275.780 1.149 20 30 CDEDLO C#CC[N@@H+](CC)[C@H](C)c1nnnn1-c1ccccc1 ZINC000266902742 359347777 /nfs/dbraw/zinc/34/77/77/359347777.db2.gz HBPDNCYRBWPEJW-GFCCVEGCSA-N 1 2 255.325 1.678 20 30 CDEDLO C#CC[N@H+](CC)[C@H](C)c1nnnn1-c1ccccc1 ZINC000266902742 359347780 /nfs/dbraw/zinc/34/77/80/359347780.db2.gz HBPDNCYRBWPEJW-GFCCVEGCSA-N 1 2 255.325 1.678 20 30 CDEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)NC)CC2)c1 ZINC000271205339 359427504 /nfs/dbraw/zinc/42/75/04/359427504.db2.gz ZMIPMTMSPLMEHR-UHFFFAOYSA-N 1 2 289.379 1.708 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+][C@H](CC)c1nccn1C ZINC000272810240 359472147 /nfs/dbraw/zinc/47/21/47/359472147.db2.gz CYESGXLIFFPIAA-LLVKDONJSA-N 1 2 271.386 1.062 20 30 CDEDLO C#CCC[N@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000274498805 359506383 /nfs/dbraw/zinc/50/63/83/359506383.db2.gz RCZAMFSEURPVJO-OAHLLOKOSA-N 1 2 257.333 1.984 20 30 CDEDLO C#CCC[N@@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000274498805 359506387 /nfs/dbraw/zinc/50/63/87/359506387.db2.gz RCZAMFSEURPVJO-OAHLLOKOSA-N 1 2 257.333 1.984 20 30 CDEDLO C#C[C@H](C)NC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000277520374 359565047 /nfs/dbraw/zinc/56/50/47/359565047.db2.gz RSTQWVRVQKSELP-ZDUSSCGKSA-N 1 2 276.384 1.889 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)C[C@H]2CCC(=O)[C@H]2C)CC1 ZINC000279671231 359590287 /nfs/dbraw/zinc/59/02/87/359590287.db2.gz HUSRBVUSKBAFMY-UONOGXRCSA-N 1 2 276.380 1.159 20 30 CDEDLO C#CCn1ccc(CN(CC)c2nc[nH+]c(N)c2Cl)n1 ZINC000408515074 359904806 /nfs/dbraw/zinc/90/48/06/359904806.db2.gz ODSZAZNUUZZIDL-UHFFFAOYSA-N 1 2 290.758 1.568 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H]1CCCC12CCOCC2)C(=O)OC ZINC000337359759 360087550 /nfs/dbraw/zinc/08/75/50/360087550.db2.gz CNBFLLPXLFQKFM-KBPBESRZSA-N 1 2 297.395 1.670 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2nc3c(s2)CCC3)nn1 ZINC000643794401 360299071 /nfs/dbraw/zinc/29/90/71/360299071.db2.gz HIJWMLUZWNAXKA-UHFFFAOYSA-N 1 2 275.381 1.699 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C)n1 ZINC000348579475 360425720 /nfs/dbraw/zinc/42/57/20/360425720.db2.gz QPSCWCXRJNAVGW-GFCCVEGCSA-N 1 2 290.367 1.222 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C)n1 ZINC000348579475 360425724 /nfs/dbraw/zinc/42/57/24/360425724.db2.gz QPSCWCXRJNAVGW-GFCCVEGCSA-N 1 2 290.367 1.222 20 30 CDEDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC000130433490 360465740 /nfs/dbraw/zinc/46/57/40/360465740.db2.gz BMPFEEQVTSQMDI-CQSZACIVSA-N 1 2 287.363 1.667 20 30 CDEDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1OC ZINC000130433490 360465745 /nfs/dbraw/zinc/46/57/45/360465745.db2.gz BMPFEEQVTSQMDI-CQSZACIVSA-N 1 2 287.363 1.667 20 30 CDEDLO COC[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)CCO1 ZINC000179009073 189161635 /nfs/dbraw/zinc/16/16/35/189161635.db2.gz KCUCQGHQIBFOTA-HNNXBMFYSA-N 1 2 263.312 1.524 20 30 CDEDLO COC[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)CCO1 ZINC000179009073 189161636 /nfs/dbraw/zinc/16/16/36/189161636.db2.gz KCUCQGHQIBFOTA-HNNXBMFYSA-N 1 2 263.312 1.524 20 30 CDEDLO Cc1ccoc1C[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000429406200 360823216 /nfs/dbraw/zinc/82/32/16/360823216.db2.gz JROBUNQTXNHNBS-GFCCVEGCSA-N 1 2 275.352 1.971 20 30 CDEDLO Cc1ccoc1C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000429406200 360823219 /nfs/dbraw/zinc/82/32/19/360823219.db2.gz JROBUNQTXNHNBS-GFCCVEGCSA-N 1 2 275.352 1.971 20 30 CDEDLO C[C@@H](CCC#N)[N@H+](C)Cc1ncnn1CC(F)F ZINC000563218376 360839968 /nfs/dbraw/zinc/83/99/68/360839968.db2.gz UPUADCVBMYURJO-VIFPVBQESA-N 1 2 257.288 1.667 20 30 CDEDLO C[C@@H](CCC#N)[N@@H+](C)Cc1ncnn1CC(F)F ZINC000563218376 360839973 /nfs/dbraw/zinc/83/99/73/360839973.db2.gz UPUADCVBMYURJO-VIFPVBQESA-N 1 2 257.288 1.667 20 30 CDEDLO C=CCOCC(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000338915984 361125843 /nfs/dbraw/zinc/12/58/43/361125843.db2.gz BQOCTHCHZCPNDU-UHFFFAOYSA-N 1 2 274.324 1.770 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2CCN(C)C[C@H]2CO)c1 ZINC000639337559 361200546 /nfs/dbraw/zinc/20/05/46/361200546.db2.gz TZWMOWSVUPKTBQ-HNNXBMFYSA-N 1 2 276.380 1.360 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2CCN(C)C[C@H]2CO)c1 ZINC000639337559 361200551 /nfs/dbraw/zinc/20/05/51/361200551.db2.gz TZWMOWSVUPKTBQ-HNNXBMFYSA-N 1 2 276.380 1.360 20 30 CDEDLO CC(C)N1CCC[C@@H]([N@H+](C)CC(C)(C)C#N)C1=O ZINC000433283216 361227202 /nfs/dbraw/zinc/22/72/02/361227202.db2.gz CMHGVGXGBZSSQB-GFCCVEGCSA-N 1 2 251.374 1.867 20 30 CDEDLO CC(C)N1CCC[C@@H]([N@@H+](C)CC(C)(C)C#N)C1=O ZINC000433283216 361227204 /nfs/dbraw/zinc/22/72/04/361227204.db2.gz CMHGVGXGBZSSQB-GFCCVEGCSA-N 1 2 251.374 1.867 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@](C)(O)C1 ZINC000267615579 361229305 /nfs/dbraw/zinc/22/93/05/361229305.db2.gz OWSAFHMMZIERBE-DZGCQCFKSA-N 1 2 274.320 1.229 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@](C)(O)C1 ZINC000267615579 361229309 /nfs/dbraw/zinc/22/93/09/361229309.db2.gz OWSAFHMMZIERBE-DZGCQCFKSA-N 1 2 274.320 1.229 20 30 CDEDLO CC[C@@H](C)[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C#N)C(=O)OC ZINC000433302965 361229896 /nfs/dbraw/zinc/22/98/96/361229896.db2.gz KDDCKJSGYQEXIP-DGCLKSJQSA-N 1 2 297.399 1.172 20 30 CDEDLO CC[C@@H](C)[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C#N)C(=O)OC ZINC000433302965 361229901 /nfs/dbraw/zinc/22/99/01/361229901.db2.gz KDDCKJSGYQEXIP-DGCLKSJQSA-N 1 2 297.399 1.172 20 30 CDEDLO C=CCOc1ccc(C(=O)NC[C@H]2COCC[N@H+]2C)cc1 ZINC000628924047 361311352 /nfs/dbraw/zinc/31/13/52/361311352.db2.gz YDQQNUBYBQZPRA-AWEZNQCLSA-N 1 2 290.363 1.312 20 30 CDEDLO C=CCOc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C)cc1 ZINC000628924047 361311357 /nfs/dbraw/zinc/31/13/57/361311357.db2.gz YDQQNUBYBQZPRA-AWEZNQCLSA-N 1 2 290.363 1.312 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000267705099 361331661 /nfs/dbraw/zinc/33/16/61/361331661.db2.gz VECFSISFKJJSPM-HNNXBMFYSA-N 1 2 292.310 1.524 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000267705099 361331662 /nfs/dbraw/zinc/33/16/62/361331662.db2.gz VECFSISFKJJSPM-HNNXBMFYSA-N 1 2 292.310 1.524 20 30 CDEDLO N#CC1(C(=O)NCc2cn3ccccc3[nH+]2)CCC1 ZINC000134502406 361610269 /nfs/dbraw/zinc/61/02/69/361610269.db2.gz NQIUPTOHLNUJJX-UHFFFAOYSA-N 1 2 254.293 1.644 20 30 CDEDLO N#CC1(CS(=O)(=O)NCCn2cc[nH+]c2)CCCCC1 ZINC000329675500 361701457 /nfs/dbraw/zinc/70/14/57/361701457.db2.gz UKTXHIDQQCDLDD-UHFFFAOYSA-N 1 2 296.396 1.277 20 30 CDEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(N)=O ZINC000352797626 363906082 /nfs/dbraw/zinc/90/60/82/363906082.db2.gz JEZKMPABPRZNGQ-SNVBAGLBSA-N 1 2 252.314 1.024 20 30 CDEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(N)=O ZINC000352797626 363906088 /nfs/dbraw/zinc/90/60/88/363906088.db2.gz JEZKMPABPRZNGQ-SNVBAGLBSA-N 1 2 252.314 1.024 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)N3CCO[C@@H](C#N)C3)cc2n1C ZINC000526994969 364045709 /nfs/dbraw/zinc/04/57/09/364045709.db2.gz FWJHRBJLMPWOKV-LBPRGKRZSA-N 1 2 284.319 1.246 20 30 CDEDLO Cc1nc(C)n(C[C@H]2C[N@H+]([C@H](C)CCC#N)CCO2)n1 ZINC000566564728 370764812 /nfs/dbraw/zinc/76/48/12/370764812.db2.gz UCHFLZZXCFRWFS-BXUZGUMPSA-N 1 2 277.372 1.288 20 30 CDEDLO Cc1nc(C)n(C[C@H]2C[N@@H+]([C@H](C)CCC#N)CCO2)n1 ZINC000566564728 370764814 /nfs/dbraw/zinc/76/48/14/370764814.db2.gz UCHFLZZXCFRWFS-BXUZGUMPSA-N 1 2 277.372 1.288 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ncccc2C)nn1 ZINC000641037414 364870811 /nfs/dbraw/zinc/87/08/11/364870811.db2.gz DFMSBUFFUCVCMN-UHFFFAOYSA-N 1 2 255.325 1.143 20 30 CDEDLO N#Cc1ccsc1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000564296721 365405626 /nfs/dbraw/zinc/40/56/26/365405626.db2.gz ZUARFLMIPNNMFH-TXEJJXNPSA-N 1 2 291.376 1.213 20 30 CDEDLO N#Cc1ccsc1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000564296721 365405629 /nfs/dbraw/zinc/40/56/29/365405629.db2.gz ZUARFLMIPNNMFH-TXEJJXNPSA-N 1 2 291.376 1.213 20 30 CDEDLO Cc1n[nH]cc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000271038540 366959723 /nfs/dbraw/zinc/95/97/23/366959723.db2.gz LJJUJDZZNWBTRL-UHFFFAOYSA-N 1 2 282.351 1.307 20 30 CDEDLO N#Cc1ccc(F)c(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000153069905 367028418 /nfs/dbraw/zinc/02/84/18/367028418.db2.gz PIAYPZCWINCJKC-GFCCVEGCSA-N 1 2 298.321 1.773 20 30 CDEDLO N#C[C@@]1(NC(=O)c2cccc(-n3cc[nH+]c3)c2)CCOC1 ZINC000358455706 367696476 /nfs/dbraw/zinc/69/64/76/367696476.db2.gz DIZRGMIUFGIZKK-HNNXBMFYSA-N 1 2 282.303 1.285 20 30 CDEDLO CC(=O)c1ccc(C#N)c(N[C@H](C)C[NH+]2CCOCC2)c1 ZINC000272565388 367775993 /nfs/dbraw/zinc/77/59/93/367775993.db2.gz SNVXRNAWTJWHLT-GFCCVEGCSA-N 1 2 287.363 1.893 20 30 CDEDLO C=CC[N@@H+](C[C@@H](O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000361315616 368743669 /nfs/dbraw/zinc/74/36/69/368743669.db2.gz LPPURBPPFVYXQP-KBPBESRZSA-N 1 2 289.441 1.459 20 30 CDEDLO C=CC[N@H+](C[C@@H](O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000361315616 368743673 /nfs/dbraw/zinc/74/36/73/368743673.db2.gz LPPURBPPFVYXQP-KBPBESRZSA-N 1 2 289.441 1.459 20 30 CDEDLO CCC[C@H]1C[N@H+](CC(=O)N(CC)CCC#N)CCO1 ZINC000131968127 369165027 /nfs/dbraw/zinc/16/50/27/369165027.db2.gz DZCOMOFDOMGSHH-ZDUSSCGKSA-N 1 2 267.373 1.249 20 30 CDEDLO CCC[C@H]1C[N@@H+](CC(=O)N(CC)CCC#N)CCO1 ZINC000131968127 369165033 /nfs/dbraw/zinc/16/50/33/369165033.db2.gz DZCOMOFDOMGSHH-ZDUSSCGKSA-N 1 2 267.373 1.249 20 30 CDEDLO C[C@H]1C[C@@H](NC(=O)COc2ccc(C#N)cc2)c2[nH+]ccn21 ZINC000456401009 252432238 /nfs/dbraw/zinc/43/22/38/252432238.db2.gz VLWHYYFWRNWMRC-SMDDNHRTSA-N 1 2 296.330 1.956 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000076186037 369505295 /nfs/dbraw/zinc/50/52/95/369505295.db2.gz DNVTUCJGHYNLLN-OAHLLOKOSA-N 1 2 282.343 1.195 20 30 CDEDLO C[C@@H](C#N)n1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000369137259 369694813 /nfs/dbraw/zinc/69/48/13/369694813.db2.gz LUOLWOXGXYKZPE-GXTWGEPZSA-N 1 2 298.350 1.331 20 30 CDEDLO C[C@@H](C#N)n1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000369137259 369694817 /nfs/dbraw/zinc/69/48/17/369694817.db2.gz LUOLWOXGXYKZPE-GXTWGEPZSA-N 1 2 298.350 1.331 20 30 CDEDLO C=CCCCS(=O)(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660098489 412784155 /nfs/dbraw/zinc/78/41/55/412784155.db2.gz AHYIXXIQSASETR-SNVBAGLBSA-N 1 2 257.359 1.367 20 30 CDEDLO N#CCC1CC[NH+](Cc2nnc3n2CCCC3)CC1 ZINC000569143096 371239639 /nfs/dbraw/zinc/23/96/39/371239639.db2.gz SRJHHCKQIUQPHL-UHFFFAOYSA-N 1 2 259.357 1.740 20 30 CDEDLO Cc1cc(F)ccc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000573597966 371594413 /nfs/dbraw/zinc/59/44/13/371594413.db2.gz YVLBLPPJJBDWJM-ZDUSSCGKSA-N 1 2 265.332 1.752 20 30 CDEDLO Cc1cc(F)ccc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000573597966 371594414 /nfs/dbraw/zinc/59/44/14/371594414.db2.gz YVLBLPPJJBDWJM-ZDUSSCGKSA-N 1 2 265.332 1.752 20 30 CDEDLO CCOC(=O)C[N@H+](CC)CCOc1ccc(C#N)cc1 ZINC000049948258 372054710 /nfs/dbraw/zinc/05/47/10/372054710.db2.gz RNOHXNYUJXMBFM-UHFFFAOYSA-N 1 2 276.336 1.822 20 30 CDEDLO CCOC(=O)C[N@@H+](CC)CCOc1ccc(C#N)cc1 ZINC000049948258 372054719 /nfs/dbraw/zinc/05/47/19/372054719.db2.gz RNOHXNYUJXMBFM-UHFFFAOYSA-N 1 2 276.336 1.822 20 30 CDEDLO CCOC[C@@H](O)C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000193835007 372057979 /nfs/dbraw/zinc/05/79/79/372057979.db2.gz ZGACJFQQDSXOMV-ZDUSSCGKSA-N 1 2 276.336 1.019 20 30 CDEDLO CCOC(=O)[C@@H]1CCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000050064658 372285804 /nfs/dbraw/zinc/28/58/04/372285804.db2.gz FMENTVKUOGEDAN-HNNXBMFYSA-N 1 2 288.347 1.965 20 30 CDEDLO CCOC(=O)[C@@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000050064658 372285819 /nfs/dbraw/zinc/28/58/19/372285819.db2.gz FMENTVKUOGEDAN-HNNXBMFYSA-N 1 2 288.347 1.965 20 30 CDEDLO C=CCOCc1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000351026165 372350210 /nfs/dbraw/zinc/35/02/10/372350210.db2.gz PHHYZLMSMRVVLT-VXGBXAGGSA-N 1 2 279.340 1.698 20 30 CDEDLO C=CCOCc1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000351026165 372350215 /nfs/dbraw/zinc/35/02/15/372350215.db2.gz PHHYZLMSMRVVLT-VXGBXAGGSA-N 1 2 279.340 1.698 20 30 CDEDLO C=CCC[NH+]1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000172618770 372407239 /nfs/dbraw/zinc/40/72/39/372407239.db2.gz CVXXFWJGNUQUFU-UHFFFAOYSA-N 1 2 280.393 1.569 20 30 CDEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000191087786 373442846 /nfs/dbraw/zinc/44/28/46/373442846.db2.gz PJTKCJVVYVGLMZ-UHFFFAOYSA-N 1 2 293.323 1.668 20 30 CDEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000191087786 373442851 /nfs/dbraw/zinc/44/28/51/373442851.db2.gz PJTKCJVVYVGLMZ-UHFFFAOYSA-N 1 2 293.323 1.668 20 30 CDEDLO CN(Cc1[nH+]ccn1C)c1ncc([N+](=O)[O-])cc1C#N ZINC000266594321 374181060 /nfs/dbraw/zinc/18/10/60/374181060.db2.gz OMWVFAUHRKNCPT-UHFFFAOYSA-N 1 2 272.268 1.231 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H](C)O1 ZINC000248911044 374196321 /nfs/dbraw/zinc/19/63/21/374196321.db2.gz YBRDCMUUJCQKHN-RISCZKNCSA-N 1 2 278.327 1.933 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H](C)O1 ZINC000248911044 374196325 /nfs/dbraw/zinc/19/63/25/374196325.db2.gz YBRDCMUUJCQKHN-RISCZKNCSA-N 1 2 278.327 1.933 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000640137434 374284030 /nfs/dbraw/zinc/28/40/30/374284030.db2.gz NXGFPZWOFXGDSF-ZDUSSCGKSA-N 1 2 291.370 1.638 20 30 CDEDLO N#CCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000342621310 374341337 /nfs/dbraw/zinc/34/13/37/374341337.db2.gz ASCFWEAHVJXINC-UHFFFAOYSA-N 1 2 299.290 1.814 20 30 CDEDLO C[C@H]1CC[S@](=O)CC[N@@H+]1CCOc1ccccc1C#N ZINC000369360052 374350794 /nfs/dbraw/zinc/35/07/94/374350794.db2.gz VGJLISRCONZNCW-RBZFPXEDSA-N 1 2 292.404 1.780 20 30 CDEDLO C[C@H]1CC[S@](=O)CC[N@H+]1CCOc1ccccc1C#N ZINC000369360052 374350798 /nfs/dbraw/zinc/35/07/98/374350798.db2.gz VGJLISRCONZNCW-RBZFPXEDSA-N 1 2 292.404 1.780 20 30 CDEDLO Cn1c[nH+]c2c1CCN(C(=O)Nc1cccc(C#N)c1)C2 ZINC000369330097 374351859 /nfs/dbraw/zinc/35/18/59/374351859.db2.gz BKCNWHBEAOMTCR-UHFFFAOYSA-N 1 2 281.319 1.882 20 30 CDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCO[C@@H]3CCC[C@H]32)c1 ZINC000370745560 374401714 /nfs/dbraw/zinc/40/17/14/374401714.db2.gz RYRCQNKZTWWTSO-HZPDHXFCSA-N 1 2 299.374 1.428 20 30 CDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCO[C@@H]3CCC[C@H]32)c1 ZINC000370745560 374401721 /nfs/dbraw/zinc/40/17/21/374401721.db2.gz RYRCQNKZTWWTSO-HZPDHXFCSA-N 1 2 299.374 1.428 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCc2c(ncn2C)C1 ZINC000371355019 374415754 /nfs/dbraw/zinc/41/57/54/374415754.db2.gz WLGKCNQXPWQYJB-UHFFFAOYSA-N 1 2 282.347 1.859 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCc2c(ncn2C)C1 ZINC000371355019 374415762 /nfs/dbraw/zinc/41/57/62/374415762.db2.gz WLGKCNQXPWQYJB-UHFFFAOYSA-N 1 2 282.347 1.859 20 30 CDEDLO COc1cc(C#N)ccc1CN1CCc2c([nH+]cn2C)C1 ZINC000371355019 374415769 /nfs/dbraw/zinc/41/57/69/374415769.db2.gz WLGKCNQXPWQYJB-UHFFFAOYSA-N 1 2 282.347 1.859 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000334167431 374499364 /nfs/dbraw/zinc/49/93/64/374499364.db2.gz APFNUBLKUQHZQX-ZWNOBZJWSA-N 1 2 261.300 1.458 20 30 CDEDLO CN(C)c1[nH+]cccc1NC(=O)c1ccc(C#N)cn1 ZINC000170960719 374566993 /nfs/dbraw/zinc/56/69/93/374566993.db2.gz NITFQLULGRZAIL-UHFFFAOYSA-N 1 2 267.292 1.667 20 30 CDEDLO COCC[N@H+](Cc1ccnn1C)Cc1ccc(C#N)cc1 ZINC000092567893 374697524 /nfs/dbraw/zinc/69/75/24/374697524.db2.gz ZRDDXPYRRSYRDK-UHFFFAOYSA-N 1 2 284.363 1.940 20 30 CDEDLO COCC[N@@H+](Cc1ccnn1C)Cc1ccc(C#N)cc1 ZINC000092567893 374697531 /nfs/dbraw/zinc/69/75/31/374697531.db2.gz ZRDDXPYRRSYRDK-UHFFFAOYSA-N 1 2 284.363 1.940 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2cccc(C#N)c2)CC[S@@]1=O ZINC000277210393 374778304 /nfs/dbraw/zinc/77/83/04/374778304.db2.gz NGVSABCCNBNIGH-SGTLLEGYSA-N 1 2 262.378 1.901 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)CC[S@@]1=O ZINC000277210393 374778312 /nfs/dbraw/zinc/77/83/12/374778312.db2.gz NGVSABCCNBNIGH-SGTLLEGYSA-N 1 2 262.378 1.901 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[S@@](=O)C[C@H](C)C2)cc1C#N ZINC000277326920 374781892 /nfs/dbraw/zinc/78/18/92/374781892.db2.gz CKOVQDGJHGMYCB-MPBGBICISA-N 1 2 292.404 1.767 20 30 CDEDLO COc1ccc(C[N@H+]2CC[S@@](=O)C[C@H](C)C2)cc1C#N ZINC000277326920 374781896 /nfs/dbraw/zinc/78/18/96/374781896.db2.gz CKOVQDGJHGMYCB-MPBGBICISA-N 1 2 292.404 1.767 20 30 CDEDLO C[C@@H]1[N@H+](CC(=O)Nc2cccc(C#N)c2)CCOC1(C)C ZINC000331045567 374882564 /nfs/dbraw/zinc/88/25/64/374882564.db2.gz HSXZKUTZZPMDKN-LBPRGKRZSA-N 1 2 287.363 1.996 20 30 CDEDLO C[C@@H]1[N@@H+](CC(=O)Nc2cccc(C#N)c2)CCOC1(C)C ZINC000331045567 374882573 /nfs/dbraw/zinc/88/25/73/374882573.db2.gz HSXZKUTZZPMDKN-LBPRGKRZSA-N 1 2 287.363 1.996 20 30 CDEDLO C[C@H]1COC(C)(C)C[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000331102938 374888398 /nfs/dbraw/zinc/88/83/98/374888398.db2.gz GVAASRLOUHBLEV-LBPRGKRZSA-N 1 2 287.363 1.996 20 30 CDEDLO C[C@H]1COC(C)(C)C[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000331102938 374888401 /nfs/dbraw/zinc/88/84/01/374888401.db2.gz GVAASRLOUHBLEV-LBPRGKRZSA-N 1 2 287.363 1.996 20 30 CDEDLO N#Cc1cccc([C@H]2C[N@H+](CCN3CCCC3=O)CCO2)c1 ZINC000331574372 374974745 /nfs/dbraw/zinc/97/47/45/374974745.db2.gz HVXVUDSLCRKDET-MRXNPFEDSA-N 1 2 299.374 1.554 20 30 CDEDLO N#Cc1cccc([C@H]2C[N@@H+](CCN3CCCC3=O)CCO2)c1 ZINC000331574372 374974752 /nfs/dbraw/zinc/97/47/52/374974752.db2.gz HVXVUDSLCRKDET-MRXNPFEDSA-N 1 2 299.374 1.554 20 30 CDEDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)CCCCC#N ZINC000127475659 375059939 /nfs/dbraw/zinc/05/99/39/375059939.db2.gz YFULQBOSFKLKPF-UHFFFAOYSA-N 1 2 297.380 1.558 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000131068763 375161000 /nfs/dbraw/zinc/16/10/00/375161000.db2.gz WNYLCFNVLJEVGO-SMDDNHRTSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000131068763 375161003 /nfs/dbraw/zinc/16/10/03/375161003.db2.gz WNYLCFNVLJEVGO-SMDDNHRTSA-N 1 2 276.336 1.148 20 30 CDEDLO C[NH+]1CCN(C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000047704132 375244859 /nfs/dbraw/zinc/24/48/59/375244859.db2.gz UMNFTXATIZHLND-UHFFFAOYSA-N 1 2 289.404 1.565 20 30 CDEDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000162885012 375543278 /nfs/dbraw/zinc/54/32/78/375543278.db2.gz KFORKSMOGFWJJO-ZDUSSCGKSA-N 1 2 277.755 1.922 20 30 CDEDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000162885012 375543281 /nfs/dbraw/zinc/54/32/81/375543281.db2.gz KFORKSMOGFWJJO-ZDUSSCGKSA-N 1 2 277.755 1.922 20 30 CDEDLO C[N@@H+]1CCO[C@@H]2CN(CC#Cc3ccccc3Cl)C[C@@H]21 ZINC000135166296 375683736 /nfs/dbraw/zinc/68/37/36/375683736.db2.gz GVBBUHUHMIENAR-JKSUJKDBSA-N 1 2 290.794 1.706 20 30 CDEDLO C[N@H+]1CCO[C@@H]2CN(CC#Cc3ccccc3Cl)C[C@@H]21 ZINC000135166296 375683744 /nfs/dbraw/zinc/68/37/44/375683744.db2.gz GVBBUHUHMIENAR-JKSUJKDBSA-N 1 2 290.794 1.706 20 30 CDEDLO Cc1ccnc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000428800427 247364955 /nfs/dbraw/zinc/36/49/55/247364955.db2.gz GGOUOUKBNQNWAJ-CQSZACIVSA-N 1 2 295.346 1.705 20 30 CDEDLO Cc1ccnc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000428800427 247364958 /nfs/dbraw/zinc/36/49/58/247364958.db2.gz GGOUOUKBNQNWAJ-CQSZACIVSA-N 1 2 295.346 1.705 20 30 CDEDLO CC1(C)C[N@H+](CCNC(=O)[C@H]2CCC(=O)NC2)CCO1 ZINC000328638338 375904258 /nfs/dbraw/zinc/90/42/58/375904258.db2.gz BIWZOMZRYXOJPW-NSHDSACASA-N 1 2 283.372 1.420 20 30 CDEDLO CC1(C)C[N@@H+](CCNC(=O)[C@H]2CCC(=O)NC2)CCO1 ZINC000328638338 375904266 /nfs/dbraw/zinc/90/42/66/375904266.db2.gz BIWZOMZRYXOJPW-NSHDSACASA-N 1 2 283.372 1.420 20 30 CDEDLO C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)C[C@H](C)[N@H+]1C ZINC000328875822 375997210 /nfs/dbraw/zinc/99/72/10/375997210.db2.gz ZOJXUVKBCYLZRN-BETUJISGSA-N 1 2 299.440 1.425 20 30 CDEDLO C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)C[C@H](C)[N@@H+]1C ZINC000328875822 375997211 /nfs/dbraw/zinc/99/72/11/375997211.db2.gz ZOJXUVKBCYLZRN-BETUJISGSA-N 1 2 299.440 1.425 20 30 CDEDLO C=CC[C@H]1CCCN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000632659573 377716591 /nfs/dbraw/zinc/71/65/91/377716591.db2.gz KAHNPNORDZOTBL-LBPRGKRZSA-N 1 2 290.367 1.183 20 30 CDEDLO CC(C)OCC[NH+]1CCN(C(=O)C(C)(C)C#N)CC1 ZINC000080483166 377770596 /nfs/dbraw/zinc/77/05/96/377770596.db2.gz PHQACKUKYLBJRE-UHFFFAOYSA-N 1 2 267.373 1.105 20 30 CDEDLO C[C@@H](C#N)NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000353791557 377992809 /nfs/dbraw/zinc/99/28/09/377992809.db2.gz GIKCZYMJDHZUPT-NSHDSACASA-N 1 2 290.348 1.122 20 30 CDEDLO C#CC[N@@H+](C)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000192225439 378178399 /nfs/dbraw/zinc/17/83/99/378178399.db2.gz KEILDQLXUUSMDE-UHFFFAOYSA-N 1 2 271.276 1.530 20 30 CDEDLO C#CC[N@H+](C)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000192225439 378178405 /nfs/dbraw/zinc/17/84/05/378178405.db2.gz KEILDQLXUUSMDE-UHFFFAOYSA-N 1 2 271.276 1.530 20 30 CDEDLO Cn1cc[nH+]c1CN1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000563859973 378358999 /nfs/dbraw/zinc/35/89/99/378358999.db2.gz POXXGZBWYJLMEG-ZFWWWQNUSA-N 1 2 274.368 1.847 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCc1cccc(Cl)c1 ZINC000293094828 378538178 /nfs/dbraw/zinc/53/81/78/378538178.db2.gz KPXKGTLTWGTEDM-UHFFFAOYSA-N 1 2 264.756 1.911 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCc1cccc(Cl)c1 ZINC000293094828 378538185 /nfs/dbraw/zinc/53/81/85/378538185.db2.gz KPXKGTLTWGTEDM-UHFFFAOYSA-N 1 2 264.756 1.911 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+]Cc1cccc(O)c1Cl ZINC000293133584 378539342 /nfs/dbraw/zinc/53/93/42/378539342.db2.gz CDAJLYXORLATBL-UHFFFAOYSA-N 1 2 289.784 1.736 20 30 CDEDLO C=CCCCS(=O)(=O)NCc1cn2ccccc2[nH+]1 ZINC000293149296 378541798 /nfs/dbraw/zinc/54/17/98/378541798.db2.gz WXTZAUFBYRNSRD-UHFFFAOYSA-N 1 2 279.365 1.720 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2oc(CC)nc2C)CC1 ZINC000293338652 378557996 /nfs/dbraw/zinc/55/79/96/378557996.db2.gz GWVBFYDZGOGLNS-UHFFFAOYSA-N 1 2 275.352 1.327 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000278601429 194063295 /nfs/dbraw/zinc/06/32/95/194063295.db2.gz LCCRZRZDHBVKTM-AWEZNQCLSA-N 1 2 263.341 1.091 20 30 CDEDLO C#CCCCC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000192158808 533018781 /nfs/dbraw/zinc/01/87/81/533018781.db2.gz RVVIUZMBCVQNLR-UHFFFAOYSA-N 1 2 287.363 1.338 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)/C=C\c1ccc(C#N)cc1 ZINC000492713086 253278779 /nfs/dbraw/zinc/27/87/79/253278779.db2.gz VYFLDPLRGJXKOH-SREVYHEPSA-N 1 2 280.331 1.664 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)/C=C/c1ccc(C#N)cc1 ZINC000492875626 253315150 /nfs/dbraw/zinc/31/51/50/253315150.db2.gz YNZQJAKMMTXNDS-UZYOAWRESA-N 1 2 299.374 1.408 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)/C=C/c1ccc(C#N)cc1 ZINC000492875626 253315152 /nfs/dbraw/zinc/31/51/52/253315152.db2.gz YNZQJAKMMTXNDS-UZYOAWRESA-N 1 2 299.374 1.408 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)/C=C\c1ccc(C#N)cc1 ZINC000492875624 253315517 /nfs/dbraw/zinc/31/55/17/253315517.db2.gz YNZQJAKMMTXNDS-LMVHVUTASA-N 1 2 299.374 1.408 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)/C=C\c1ccc(C#N)cc1 ZINC000492875624 253315518 /nfs/dbraw/zinc/31/55/18/253315518.db2.gz YNZQJAKMMTXNDS-LMVHVUTASA-N 1 2 299.374 1.408 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1c1nc(=O)[nH][nH]1 ZINC000289346461 197305374 /nfs/dbraw/zinc/30/53/74/197305374.db2.gz MMBXDRHPXAEHPH-CYBMUJFWSA-N 1 2 283.335 1.697 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1c1nc(=O)[nH][nH]1 ZINC000289346461 197305376 /nfs/dbraw/zinc/30/53/76/197305376.db2.gz MMBXDRHPXAEHPH-CYBMUJFWSA-N 1 2 283.335 1.697 20 30 CDEDLO Cc1nccc(C[NH+]2CCN(c3ccccc3C#N)CC2)n1 ZINC000507115150 254096558 /nfs/dbraw/zinc/09/65/58/254096558.db2.gz FMAOAWMLNPQPPQ-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](CC(=O)OC)[C@@H](C)CC)C1=O ZINC000281239344 195162302 /nfs/dbraw/zinc/16/23/02/195162302.db2.gz GAWZXXAVSUCJFS-NWDGAFQWSA-N 1 2 268.357 1.047 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](CC(=O)OC)[C@@H](C)CC)C1=O ZINC000281239344 195162304 /nfs/dbraw/zinc/16/23/04/195162304.db2.gz GAWZXXAVSUCJFS-NWDGAFQWSA-N 1 2 268.357 1.047 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC(C)=C(Br)C1 ZINC000281263143 195171956 /nfs/dbraw/zinc/17/19/56/195171956.db2.gz VLLNMGLYLUHNLW-JTQLQIEISA-N 1 2 285.185 1.499 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC(C)=C(Br)C1 ZINC000281263143 195171958 /nfs/dbraw/zinc/17/19/58/195171958.db2.gz VLLNMGLYLUHNLW-JTQLQIEISA-N 1 2 285.185 1.499 20 30 CDEDLO C#C[C@H](NC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1)C(C)C ZINC000281635831 195316093 /nfs/dbraw/zinc/31/60/93/195316093.db2.gz WDWMBSKRWFDAMT-ZDUSSCGKSA-N 1 2 298.346 1.355 20 30 CDEDLO C=C(CC)C[N@@H+]1CCC[C@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000358615490 390800266 /nfs/dbraw/zinc/80/02/66/390800266.db2.gz DKOBTTSRHQGKLA-NWDGAFQWSA-N 1 2 269.341 1.379 20 30 CDEDLO C=C(CC)C[N@H+]1CCC[C@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000358615490 390800267 /nfs/dbraw/zinc/80/02/67/390800267.db2.gz DKOBTTSRHQGKLA-NWDGAFQWSA-N 1 2 269.341 1.379 20 30 CDEDLO COC(=O)C[NH+]1CCC(Nc2ccc(CC#N)cc2)CC1 ZINC000136953302 390941687 /nfs/dbraw/zinc/94/16/87/390941687.db2.gz YAPIQZZHJIKRFK-UHFFFAOYSA-N 1 2 287.363 1.802 20 30 CDEDLO CC(C)[C@@H](C(=O)N[C@@H](C)C#N)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000161377100 390959085 /nfs/dbraw/zinc/95/90/85/390959085.db2.gz MRJRWVRVDAYNQC-LOWDOPEQSA-N 1 2 267.373 1.148 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCc2nc(C3CC3)no2)cc1 ZINC000123346523 390909848 /nfs/dbraw/zinc/90/98/48/390909848.db2.gz NDDYDRZACABNRM-UHFFFAOYSA-N 1 2 288.307 1.793 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+]CC(=O)N1CCCc2ccccc21 ZINC000575088624 335063721 /nfs/dbraw/zinc/06/37/21/335063721.db2.gz PGPPXHMANHKSEB-CQSZACIVSA-N 1 2 296.374 1.999 20 30 CDEDLO O=C(N[C@H]1CCCOC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329485157 390996189 /nfs/dbraw/zinc/99/61/89/390996189.db2.gz WZXHAFAZLVBFDV-JSGCOSHPSA-N 1 2 282.384 1.765 20 30 CDEDLO O=C(N[C@H]1CCCOC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329485157 390996195 /nfs/dbraw/zinc/99/61/95/390996195.db2.gz WZXHAFAZLVBFDV-JSGCOSHPSA-N 1 2 282.384 1.765 20 30 CDEDLO CC[C@@H]1CO[C@H](C)CN1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329695040 391084182 /nfs/dbraw/zinc/08/41/82/391084182.db2.gz BEJWIIWFBKAHFF-IJLUTSLNSA-N 1 2 292.383 1.680 20 30 CDEDLO CC[C@@H]1CO[C@H](C)CN1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329695040 391084186 /nfs/dbraw/zinc/08/41/86/391084186.db2.gz BEJWIIWFBKAHFF-IJLUTSLNSA-N 1 2 292.383 1.680 20 30 CDEDLO C[C@H]1CC[C@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000345286713 391117710 /nfs/dbraw/zinc/11/77/10/391117710.db2.gz NLLFCGDLODPXET-GJZGRUSLSA-N 1 2 293.411 1.497 20 30 CDEDLO COc1cccc(C(N)=[NH+]OCC(=O)NCC(C)C)c1 ZINC000174211959 391118889 /nfs/dbraw/zinc/11/88/89/391118889.db2.gz MUZLAZJHWHSGGX-UHFFFAOYSA-N 1 2 279.340 1.104 20 30 CDEDLO Cn1cc(-c2cc(C[NH+]3CCC(F)(C#N)CC3)on2)cn1 ZINC000352481310 391155442 /nfs/dbraw/zinc/15/54/42/391155442.db2.gz FDTKTHWKODKDSU-UHFFFAOYSA-N 1 2 289.314 1.903 20 30 CDEDLO Cc1cc(NC(=O)CO[NH+]=C(N)[C@@H](C)OCC(C)C)no1 ZINC000266166617 391170824 /nfs/dbraw/zinc/17/08/24/391170824.db2.gz ARFFYVPEPPUCJM-SNVBAGLBSA-N 1 2 298.343 1.271 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000366177136 391228005 /nfs/dbraw/zinc/22/80/05/391228005.db2.gz DNXJIZSVZIFLHL-STQMWFEESA-N 1 2 251.326 1.980 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCOC[C@H]1c1ccco1 ZINC000366177136 391228007 /nfs/dbraw/zinc/22/80/07/391228007.db2.gz DNXJIZSVZIFLHL-STQMWFEESA-N 1 2 251.326 1.980 20 30 CDEDLO C=CCOCC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000338880628 391229929 /nfs/dbraw/zinc/22/99/29/391229929.db2.gz BWJPZMRCUCVJTP-UHFFFAOYSA-N 1 2 252.280 1.369 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000491682176 391208624 /nfs/dbraw/zinc/20/86/24/391208624.db2.gz QDIHCMUOXTWEEJ-LBPRGKRZSA-N 1 2 274.368 1.170 20 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ZINC000339765371 391354452 /nfs/dbraw/zinc/35/44/52/391354452.db2.gz FZJGESGXGONRTL-UHFFFAOYSA-N 1 2 262.328 1.440 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCCc1ccc(F)cc1 ZINC000339765371 391354456 /nfs/dbraw/zinc/35/44/56/391354456.db2.gz FZJGESGXGONRTL-UHFFFAOYSA-N 1 2 262.328 1.440 20 30 CDEDLO Cc1cncc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000328925470 391395198 /nfs/dbraw/zinc/39/51/98/391395198.db2.gz DXFMMBGAJBFUGI-NSHDSACASA-N 1 2 256.309 1.975 20 30 CDEDLO Cc1cncc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000328925470 391395202 /nfs/dbraw/zinc/39/52/02/391395202.db2.gz DXFMMBGAJBFUGI-NSHDSACASA-N 1 2 256.309 1.975 20 30 CDEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(CC)CCC#N ZINC000330458501 391425700 /nfs/dbraw/zinc/42/57/00/391425700.db2.gz RXIAANBPCAKALP-QWHCGFSZSA-N 1 2 267.373 1.248 20 30 CDEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(CC)CCC#N ZINC000330458501 391425705 /nfs/dbraw/zinc/42/57/05/391425705.db2.gz RXIAANBPCAKALP-QWHCGFSZSA-N 1 2 267.373 1.248 20 30 CDEDLO CC[C@@H](C(=O)N(CC)CC#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000330463470 391426756 /nfs/dbraw/zinc/42/67/56/391426756.db2.gz UUYONZLDRUERLJ-OLZOCXBDSA-N 1 2 267.373 1.248 20 30 CDEDLO CC[C@@H](C(=O)N(CC)CC#N)[N@H+]1CCO[C@H](CC)C1 ZINC000330463470 391426758 /nfs/dbraw/zinc/42/67/58/391426758.db2.gz UUYONZLDRUERLJ-OLZOCXBDSA-N 1 2 267.373 1.248 20 30 CDEDLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000330512064 391435443 /nfs/dbraw/zinc/43/54/43/391435443.db2.gz KFCMCNGBAGVAIP-GJZGRUSLSA-N 1 2 281.400 1.542 20 30 CDEDLO CC[C@@]1(C)COCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000330512064 391435445 /nfs/dbraw/zinc/43/54/45/391435445.db2.gz KFCMCNGBAGVAIP-GJZGRUSLSA-N 1 2 281.400 1.542 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@@H+]1CCOC[C@@]1(C)CC ZINC000330529368 391443771 /nfs/dbraw/zinc/44/37/71/391443771.db2.gz RWHDRNHJJMRLAV-CQSZACIVSA-N 1 2 285.388 1.318 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@H+]1CCOC[C@@]1(C)CC ZINC000330529368 391443774 /nfs/dbraw/zinc/44/37/74/391443774.db2.gz RWHDRNHJJMRLAV-CQSZACIVSA-N 1 2 285.388 1.318 20 30 CDEDLO CC#CCCNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411425092 391453525 /nfs/dbraw/zinc/45/35/25/391453525.db2.gz XFMFDXWVOSMRKX-UHFFFAOYSA-N 1 2 273.336 1.475 20 30 CDEDLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+](C)C[C@H](C)C#N ZINC000330614807 391459426 /nfs/dbraw/zinc/45/94/26/391459426.db2.gz SPPRCNNXZWWZLA-UTUOFQBUSA-N 1 2 280.372 1.240 20 30 CDEDLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)C[C@H](C)C#N ZINC000330614807 391459429 /nfs/dbraw/zinc/45/94/29/391459429.db2.gz SPPRCNNXZWWZLA-UTUOFQBUSA-N 1 2 280.372 1.240 20 30 CDEDLO CCc1noc(C)c1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330618735 391460267 /nfs/dbraw/zinc/46/02/67/391460267.db2.gz HSADTFZAFOAXMI-JTQLQIEISA-N 1 2 281.356 1.571 20 30 CDEDLO CCc1noc(C)c1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330618735 391460270 /nfs/dbraw/zinc/46/02/70/391460270.db2.gz HSADTFZAFOAXMI-JTQLQIEISA-N 1 2 281.356 1.571 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000330624068 391461469 /nfs/dbraw/zinc/46/14/69/391461469.db2.gz QOFNUFKWWSTMPP-VIFPVBQESA-N 1 2 299.352 1.682 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000330624068 391461475 /nfs/dbraw/zinc/46/14/75/391461475.db2.gz QOFNUFKWWSTMPP-VIFPVBQESA-N 1 2 299.352 1.682 20 30 CDEDLO C=C(C)CCN1CC[NH+](C(COC)COC)CC1 ZINC000411859968 391531931 /nfs/dbraw/zinc/53/19/31/391531931.db2.gz LFECVOSBICMPIB-UHFFFAOYSA-N 1 2 256.390 1.232 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccon1 ZINC000349242316 391538964 /nfs/dbraw/zinc/53/89/64/391538964.db2.gz OVEODSZMZGGESI-GHMZBOCLSA-N 1 2 264.329 1.333 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000335726337 391551733 /nfs/dbraw/zinc/55/17/33/391551733.db2.gz SYAMQWNIWSWERI-LLVKDONJSA-N 1 2 263.366 1.552 20 30 CDEDLO C=C[C@@H](CO)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000350009151 391591851 /nfs/dbraw/zinc/59/18/51/391591851.db2.gz PWWVZJLJIYBFCQ-LBPRGKRZSA-N 1 2 286.335 1.756 20 30 CDEDLO C=CCN(CCC#N)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000359447493 391596651 /nfs/dbraw/zinc/59/66/51/391596651.db2.gz SAQNWXYQMUOZPZ-HNNXBMFYSA-N 1 2 291.395 1.558 20 30 CDEDLO C=CCN(CCC#N)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000359447493 391596655 /nfs/dbraw/zinc/59/66/55/391596655.db2.gz SAQNWXYQMUOZPZ-HNNXBMFYSA-N 1 2 291.395 1.558 20 30 CDEDLO C=C(C)CN(C)c1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413226097 391718936 /nfs/dbraw/zinc/71/89/36/391718936.db2.gz CWPLOKMXNUHJHG-OLZOCXBDSA-N 1 2 276.384 1.696 20 30 CDEDLO C=C(C)CN(C)c1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413226097 391718939 /nfs/dbraw/zinc/71/89/39/391718939.db2.gz CWPLOKMXNUHJHG-OLZOCXBDSA-N 1 2 276.384 1.696 20 30 CDEDLO C=CCOC[C@@H]([NH2+]C1CCC(C)CC1)C(=O)OC ZINC000361112871 391683394 /nfs/dbraw/zinc/68/33/94/391683394.db2.gz JXZPSYHBNQURTP-WXRRBKDZSA-N 1 2 255.358 1.899 20 30 CDEDLO Cn1cc(C[NH+]2CCN(c3ncccn3)CC2)cc1C#N ZINC000191164347 130194155 /nfs/dbraw/zinc/19/41/55/130194155.db2.gz RWONQDKTVKHRAF-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)c1cccnc1 ZINC000329922889 391799538 /nfs/dbraw/zinc/79/95/38/391799538.db2.gz IEIYFSUDRFKJIC-YUTCNCBUSA-N 1 2 290.367 1.071 20 30 CDEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)c1cccnc1 ZINC000329922889 391799540 /nfs/dbraw/zinc/79/95/40/391799540.db2.gz IEIYFSUDRFKJIC-YUTCNCBUSA-N 1 2 290.367 1.071 20 30 CDEDLO CCN1CCN(C(=O)NC2CC(C)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329963344 391808098 /nfs/dbraw/zinc/80/80/98/391808098.db2.gz PVAZCNXLGKWUSX-WXRRBKDZSA-N 1 2 291.399 1.801 20 30 CDEDLO CCOC(=O)[C@@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000121032089 391848364 /nfs/dbraw/zinc/84/83/64/391848364.db2.gz WBQDKGQQALTQTC-QWHCGFSZSA-N 1 2 263.341 1.705 20 30 CDEDLO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000121032089 391848365 /nfs/dbraw/zinc/84/83/65/391848365.db2.gz WBQDKGQQALTQTC-QWHCGFSZSA-N 1 2 263.341 1.705 20 30 CDEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H](C(N)=O)O1 ZINC000122347111 391902103 /nfs/dbraw/zinc/90/21/03/391902103.db2.gz GHDALTPLGYNJHI-BXUZGUMPSA-N 1 2 292.766 1.266 20 30 CDEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H](C(N)=O)O1 ZINC000122347111 391902109 /nfs/dbraw/zinc/90/21/09/391902109.db2.gz GHDALTPLGYNJHI-BXUZGUMPSA-N 1 2 292.766 1.266 20 30 CDEDLO Cc1cc(C(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)c(C)[nH]1 ZINC000646032041 391918667 /nfs/dbraw/zinc/91/86/67/391918667.db2.gz VOUKHLICMZVSAG-CQSZACIVSA-N 1 2 261.325 1.165 20 30 CDEDLO Cc1cc(C(=O)C[N@H+]2CC[C@](O)(CC#N)C2)c(C)[nH]1 ZINC000646032041 391918672 /nfs/dbraw/zinc/91/86/72/391918672.db2.gz VOUKHLICMZVSAG-CQSZACIVSA-N 1 2 261.325 1.165 20 30 CDEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(CC(F)(F)F)CC2)C1 ZINC000334254243 392054267 /nfs/dbraw/zinc/05/42/67/392054267.db2.gz MSVLTNIIEWEUFK-WDEREUQCSA-N 1 2 261.291 1.859 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1ccn(C)n1 ZINC000459798790 392507504 /nfs/dbraw/zinc/50/75/04/392507504.db2.gz UQEOWDIYPPKXHX-NEPJUHHUSA-N 1 2 297.362 1.970 20 30 CDEDLO C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccn(C)n1 ZINC000459790602 392507673 /nfs/dbraw/zinc/50/76/73/392507673.db2.gz MJCCGWXMSCENDL-LLVKDONJSA-N 1 2 283.335 1.581 20 30 CDEDLO C=C[C@H](O)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000646683951 392649517 /nfs/dbraw/zinc/64/95/17/392649517.db2.gz MGRSPRDZSPDODA-AWEZNQCLSA-N 1 2 289.379 1.625 20 30 CDEDLO Cc1cc(NCC2(CS(C)(=O)=O)CCC2)c(C#N)c[nH+]1 ZINC000425267689 393010242 /nfs/dbraw/zinc/01/02/42/393010242.db2.gz MCIGLICASTUBME-UHFFFAOYSA-N 1 2 293.392 1.310 20 30 CDEDLO N#Cc1ccc(F)c(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000119035613 147301696 /nfs/dbraw/zinc/30/16/96/147301696.db2.gz RIKCBURVOIUYOY-GFCCVEGCSA-N 1 2 298.321 1.773 20 30 CDEDLO C=CCn1cc(C[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000656445622 413256765 /nfs/dbraw/zinc/25/67/65/413256765.db2.gz QBZNLVRLILXHBL-UHFFFAOYSA-N 1 2 283.379 1.786 20 30 CDEDLO Cn1c[nH+]cc1C[S@](=O)Cc1ccc(C#N)cc1 ZINC000343851017 152325271 /nfs/dbraw/zinc/32/52/71/152325271.db2.gz ASQPVICZIBCTPJ-GOSISDBHSA-N 1 2 259.334 1.741 20 30 CDEDLO Cc1ccn2cc(CNC(=O)c3c[nH]c(C#N)c3)[nH+]c2c1 ZINC000346670234 153264991 /nfs/dbraw/zinc/26/49/91/153264991.db2.gz NVGUOIUOLKEDKS-UHFFFAOYSA-N 1 2 279.303 1.773 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCn2cnc3ccccc32)nn1 ZINC000656451715 413304429 /nfs/dbraw/zinc/30/44/29/413304429.db2.gz YJIUHSRNZRTJEQ-UHFFFAOYSA-N 1 2 294.362 1.441 20 30 CDEDLO N#Cc1cc(F)c(N2CC[NH+]([C@@H]3CCOC3)CC2)c(F)c1 ZINC000371109621 159964912 /nfs/dbraw/zinc/96/49/12/159964912.db2.gz WLSVKQQYKITXNQ-GFCCVEGCSA-N 1 2 293.317 1.747 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCn2nc(C)nc2C1 ZINC000372168295 160087985 /nfs/dbraw/zinc/08/79/85/160087985.db2.gz CLGSANDTXCRHHE-UHFFFAOYSA-N 1 2 283.335 1.483 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCn2nc(C)nc2C1 ZINC000372168295 160087986 /nfs/dbraw/zinc/08/79/86/160087986.db2.gz CLGSANDTXCRHHE-UHFFFAOYSA-N 1 2 283.335 1.483 20 30 CDEDLO CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373565734 160211511 /nfs/dbraw/zinc/21/15/11/160211511.db2.gz FMIZPOZDVRYKTL-OAHLLOKOSA-N 1 2 294.358 1.976 20 30 CDEDLO COc1cc(OC)c(OC)cc1C[NH2+]CCC#N ZINC000020199384 171063031 /nfs/dbraw/zinc/06/30/31/171063031.db2.gz GOHMIKUEHMXZAX-UHFFFAOYSA-N 1 2 250.298 1.716 20 30 CDEDLO C=CCCCCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664699153 413599322 /nfs/dbraw/zinc/59/93/22/413599322.db2.gz RHTNGOODYNYNIG-UONOGXRCSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CCCCCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664699153 413599329 /nfs/dbraw/zinc/59/93/29/413599329.db2.gz RHTNGOODYNYNIG-UONOGXRCSA-N 1 2 283.416 1.751 20 30 CDEDLO CCC#C[C@H](C)[NH+]1CCN(C(COC)COC)CC1 ZINC000664816564 413667286 /nfs/dbraw/zinc/66/72/86/413667286.db2.gz VYCLSFPWPGGZCR-AWEZNQCLSA-N 1 2 268.401 1.067 20 30 CDEDLO C=CCCn1cc(C[N@H+](C)CC2=CCSC2)nn1 ZINC000662267772 414602554 /nfs/dbraw/zinc/60/25/54/414602554.db2.gz YGBGVEKYQKMHDG-UHFFFAOYSA-N 1 2 264.398 1.959 20 30 CDEDLO C=CCCn1cc(C[N@@H+](C)CC2=CCSC2)nn1 ZINC000662267772 414602556 /nfs/dbraw/zinc/60/25/56/414602556.db2.gz YGBGVEKYQKMHDG-UHFFFAOYSA-N 1 2 264.398 1.959 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@](C)(F)C1)C1CC1 ZINC000347383094 226141658 /nfs/dbraw/zinc/14/16/58/226141658.db2.gz NSVPVIHRFHULDD-QWHCGFSZSA-N 1 2 253.321 1.229 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@](C)(F)C1)C1CC1 ZINC000347383094 226141662 /nfs/dbraw/zinc/14/16/62/226141662.db2.gz NSVPVIHRFHULDD-QWHCGFSZSA-N 1 2 253.321 1.229 20 30 CDEDLO O=C(C[N@@H+]1CCc2n[nH]c(=O)cc2C1)NC1CCCC1 ZINC000330165575 228054042 /nfs/dbraw/zinc/05/40/42/228054042.db2.gz UQLXLJUPTGVELO-UHFFFAOYSA-N 1 2 276.340 1.439 20 30 CDEDLO O=C(C[N@H+]1CCc2n[nH]c(=O)cc2C1)NC1CCCC1 ZINC000330165575 228054046 /nfs/dbraw/zinc/05/40/46/228054046.db2.gz UQLXLJUPTGVELO-UHFFFAOYSA-N 1 2 276.340 1.439 20 30 CDEDLO CCc1nsc(N2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000330264674 228085362 /nfs/dbraw/zinc/08/53/62/228085362.db2.gz YFHGYMKCDLPTKT-NWDGAFQWSA-N 1 2 291.424 1.915 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCOCC1 ZINC000330271613 228087793 /nfs/dbraw/zinc/08/77/93/228087793.db2.gz WEIDRCYMIBCVRI-CHWSQXEVSA-N 1 2 270.373 1.480 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CCCC#N)C1CC1 ZINC000352304574 228217067 /nfs/dbraw/zinc/21/70/67/228217067.db2.gz ZLHURTYDKMESIL-LLVKDONJSA-N 1 2 282.369 1.094 20 30 CDEDLO C[C@H](CNC(=O)C1(C#N)CCCC1)Cn1cc[nH+]c1 ZINC000153637816 261081369 /nfs/dbraw/zinc/08/13/69/261081369.db2.gz NMPDPSBOOFJJEJ-GFCCVEGCSA-N 1 2 260.341 1.719 20 30 CDEDLO Cc1nnc([C@H](C)O[NH+]=C(N)c2ccc3c(c2)CCO3)o1 ZINC000158205187 261161006 /nfs/dbraw/zinc/16/10/06/261161006.db2.gz JWCZRTPEWLYJIT-QMMMGPOBSA-N 1 2 288.307 1.711 20 30 CDEDLO C#CCN(CC#N)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000490983503 261276331 /nfs/dbraw/zinc/27/63/31/261276331.db2.gz ACYYTHCBCKBOAR-UHFFFAOYSA-N 1 2 278.315 1.530 20 30 CDEDLO N#CCSc1cccc(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000177278345 261343073 /nfs/dbraw/zinc/34/30/73/261343073.db2.gz DFLJBDDPICGHDA-UHFFFAOYSA-N 1 2 286.360 1.998 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@]1(C)C(=O)OC ZINC000186379395 262314411 /nfs/dbraw/zinc/31/44/11/262314411.db2.gz UTNAYOCKNPAXOI-DOMZBBRYSA-N 1 2 295.383 1.022 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@]1(C)C(=O)OC ZINC000186379395 262314412 /nfs/dbraw/zinc/31/44/12/262314412.db2.gz UTNAYOCKNPAXOI-DOMZBBRYSA-N 1 2 295.383 1.022 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000354889310 262322308 /nfs/dbraw/zinc/32/23/08/262322308.db2.gz RFGOHYAGSWGXJE-WDEREUQCSA-N 1 2 275.274 1.819 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000354889310 262322309 /nfs/dbraw/zinc/32/23/09/262322309.db2.gz RFGOHYAGSWGXJE-WDEREUQCSA-N 1 2 275.274 1.819 20 30 CDEDLO COc1cc2c(cc1C[NH+]1CCN(CC#N)CC1)OCO2 ZINC000355353913 262364035 /nfs/dbraw/zinc/36/40/35/262364035.db2.gz HCXKHSTUUMJKSH-UHFFFAOYSA-N 1 2 289.335 1.065 20 30 CDEDLO Cc1nc(NC(=O)C[C@@H](C)n2cc[nH+]c2)ccc1C#N ZINC000515851331 269899968 /nfs/dbraw/zinc/89/99/68/269899968.db2.gz DJDACDDAXMWSQZ-SNVBAGLBSA-N 1 2 269.308 1.470 20 30 CDEDLO C[C@H](C#N)CN(C)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000263785869 262853653 /nfs/dbraw/zinc/85/36/53/262853653.db2.gz OXQIJDFVOMUDBL-LLVKDONJSA-N 1 2 256.309 1.495 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)NC1(C#N)CCCCC1 ZINC000276634132 263037690 /nfs/dbraw/zinc/03/76/90/263037690.db2.gz TZQIVOSNGHLAFE-UHFFFAOYSA-N 1 2 260.341 1.695 20 30 CDEDLO C[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CC[S@@](=O)C1 ZINC000277578292 263042072 /nfs/dbraw/zinc/04/20/72/263042072.db2.gz VPLOANLPZNGUIP-RNODOKPDSA-N 1 2 292.404 1.789 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CC[S@@](=O)C1 ZINC000277578292 263042073 /nfs/dbraw/zinc/04/20/73/263042073.db2.gz VPLOANLPZNGUIP-RNODOKPDSA-N 1 2 292.404 1.789 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)C1CC1 ZINC000298752957 263225232 /nfs/dbraw/zinc/22/52/32/263225232.db2.gz HNEJSAMPZPMQFD-GDBMZVCRSA-N 1 2 286.379 1.960 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1)C1CC1 ZINC000298752957 263225233 /nfs/dbraw/zinc/22/52/33/263225233.db2.gz HNEJSAMPZPMQFD-GDBMZVCRSA-N 1 2 286.379 1.960 20 30 CDEDLO CC#CC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000121705120 263297754 /nfs/dbraw/zinc/29/77/54/263297754.db2.gz WNSIEZXCLORPNE-STQMWFEESA-N 1 2 265.378 1.896 20 30 CDEDLO CC#CC[N@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000121705120 263297756 /nfs/dbraw/zinc/29/77/56/263297756.db2.gz WNSIEZXCLORPNE-STQMWFEESA-N 1 2 265.378 1.896 20 30 CDEDLO C=CCSCCNc1cc(NCCCC)[nH+]c(N)n1 ZINC000341936950 263367105 /nfs/dbraw/zinc/36/71/05/263367105.db2.gz VVLAPOWKBVFLSM-UHFFFAOYSA-N 1 2 281.429 1.854 20 30 CDEDLO C=CCSCCNc1cc(NCCCC)nc(N)[nH+]1 ZINC000341936950 263367107 /nfs/dbraw/zinc/36/71/07/263367107.db2.gz VVLAPOWKBVFLSM-UHFFFAOYSA-N 1 2 281.429 1.854 20 30 CDEDLO C=C1CC[NH+](CC(=O)NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000341990983 263382210 /nfs/dbraw/zinc/38/22/10/263382210.db2.gz DVLPRIRBGNEVCP-HNNXBMFYSA-N 1 2 286.375 1.758 20 30 CDEDLO CC[C@@H](C(=O)OC)[NH+]1CCC(C#N)(COC)CC1 ZINC000341992274 263382341 /nfs/dbraw/zinc/38/23/41/263382341.db2.gz PGAOHYUEQZFHBU-NSHDSACASA-N 1 2 254.330 1.190 20 30 CDEDLO Cc1nc(C)c(C(=O)N[C@@H](C)Cn2cc[nH+]c2)nc1C ZINC000330921009 264093719 /nfs/dbraw/zinc/09/37/19/264093719.db2.gz PXPALAKCJFISRB-VIFPVBQESA-N 1 2 273.340 1.992 20 30 CDEDLO C=C[C@@H](C)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330922064 264094133 /nfs/dbraw/zinc/09/41/33/264094133.db2.gz AXWLNOHJYVTECU-LLVKDONJSA-N 1 2 255.362 1.175 20 30 CDEDLO C=C[C@@H](C)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330922064 264094134 /nfs/dbraw/zinc/09/41/34/264094134.db2.gz AXWLNOHJYVTECU-LLVKDONJSA-N 1 2 255.362 1.175 20 30 CDEDLO COc1cc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)ccc1F ZINC000331061221 264111064 /nfs/dbraw/zinc/11/10/64/264111064.db2.gz UHJRJSLBBMLOSS-LLVKDONJSA-N 1 2 296.342 1.860 20 30 CDEDLO COc1cc(C(=O)NCC[N@H+]2CCOC[C@H]2C)ccc1F ZINC000331061221 264111067 /nfs/dbraw/zinc/11/10/67/264111067.db2.gz UHJRJSLBBMLOSS-LLVKDONJSA-N 1 2 296.342 1.860 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000331150886 264139527 /nfs/dbraw/zinc/13/95/27/264139527.db2.gz ZSIKIQHEHQOHNI-OLZOCXBDSA-N 1 2 281.400 1.494 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000331150886 264139528 /nfs/dbraw/zinc/13/95/28/264139528.db2.gz ZSIKIQHEHQOHNI-OLZOCXBDSA-N 1 2 281.400 1.494 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331324393 264190313 /nfs/dbraw/zinc/19/03/13/264190313.db2.gz NLZYYXHNPPSJCN-KBPBESRZSA-N 1 2 295.427 1.741 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331324393 264190314 /nfs/dbraw/zinc/19/03/14/264190314.db2.gz NLZYYXHNPPSJCN-KBPBESRZSA-N 1 2 295.427 1.741 20 30 CDEDLO CN(CC(=O)NC1(C#N)CCCCC1)Cc1[nH+]ccn1C ZINC000161988146 264302773 /nfs/dbraw/zinc/30/27/73/264302773.db2.gz WRZVSMLTOWTAAS-UHFFFAOYSA-N 1 2 289.383 1.195 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000425488326 264354531 /nfs/dbraw/zinc/35/45/31/264354531.db2.gz MSVHGDGXTSGFHD-DTWKUNHWSA-N 1 2 297.380 1.271 20 30 CDEDLO CC[C@@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000424963551 264399124 /nfs/dbraw/zinc/39/91/24/264399124.db2.gz DKKXESCFQWTLFA-YJNKXOJESA-N 1 2 293.411 1.684 20 30 CDEDLO CC[C@@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000424963551 264399125 /nfs/dbraw/zinc/39/91/25/264399125.db2.gz DKKXESCFQWTLFA-YJNKXOJESA-N 1 2 293.411 1.684 20 30 CDEDLO Cc1noc([C@@H]2CCC[N@H+]2Cc2cc(C#N)n(C)c2)n1 ZINC000289671008 423871256 /nfs/dbraw/zinc/87/12/56/423871256.db2.gz DLCHXARFUDNBJG-ZDUSSCGKSA-N 1 2 271.324 1.925 20 30 CDEDLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2cc(C#N)n(C)c2)n1 ZINC000289671008 423871271 /nfs/dbraw/zinc/87/12/71/423871271.db2.gz DLCHXARFUDNBJG-ZDUSSCGKSA-N 1 2 271.324 1.925 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)nn1 ZINC000653634992 424384021 /nfs/dbraw/zinc/38/40/21/424384021.db2.gz UBNKBSCTRYGKIL-CYBMUJFWSA-N 1 2 264.373 1.447 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)nn1 ZINC000653634992 424384030 /nfs/dbraw/zinc/38/40/30/424384030.db2.gz UBNKBSCTRYGKIL-CYBMUJFWSA-N 1 2 264.373 1.447 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)nn1 ZINC000653634993 424385350 /nfs/dbraw/zinc/38/53/50/424385350.db2.gz UBNKBSCTRYGKIL-ZDUSSCGKSA-N 1 2 264.373 1.447 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CC[C@H](O)C(C)(C)C2)nn1 ZINC000653634993 424385357 /nfs/dbraw/zinc/38/53/57/424385357.db2.gz UBNKBSCTRYGKIL-ZDUSSCGKSA-N 1 2 264.373 1.447 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](n3cccn3)C2)nn1 ZINC000653692198 424437125 /nfs/dbraw/zinc/43/71/25/424437125.db2.gz BAUHLUYBBCDKMD-CQSZACIVSA-N 1 2 272.356 1.498 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](n3cccn3)C2)nn1 ZINC000653692198 424437132 /nfs/dbraw/zinc/43/71/32/424437132.db2.gz BAUHLUYBBCDKMD-CQSZACIVSA-N 1 2 272.356 1.498 20 30 CDEDLO C=C[C@H](CO)NC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000356830653 266183551 /nfs/dbraw/zinc/18/35/51/266183551.db2.gz ZXTBSQVPVAJOJB-GFCCVEGCSA-N 1 2 273.336 1.398 20 30 CDEDLO Cc1cc(NCC#CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000357545327 266318687 /nfs/dbraw/zinc/31/86/87/266318687.db2.gz KBCVDALYLFFXMY-UHFFFAOYSA-N 1 2 298.302 1.190 20 30 CDEDLO N#CCCN(Cc1ccccn1)C(=O)CCc1c[nH+]c[nH]1 ZINC000357604585 266333358 /nfs/dbraw/zinc/33/33/58/266333358.db2.gz YKYPFHSHNIFWAH-UHFFFAOYSA-N 1 2 283.335 1.680 20 30 CDEDLO N#CCCN(Cc1ccccn1)C(=O)CCc1c[nH]c[nH+]1 ZINC000357604585 266333361 /nfs/dbraw/zinc/33/33/61/266333361.db2.gz YKYPFHSHNIFWAH-UHFFFAOYSA-N 1 2 283.335 1.680 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(F)c(C#N)c1 ZINC000330595830 267067856 /nfs/dbraw/zinc/06/78/56/267067856.db2.gz BYTBEIYVXKERFV-LLVKDONJSA-N 1 2 291.326 1.723 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(F)c(C#N)c1 ZINC000330595830 267067858 /nfs/dbraw/zinc/06/78/58/267067858.db2.gz BYTBEIYVXKERFV-LLVKDONJSA-N 1 2 291.326 1.723 20 30 CDEDLO Cc1nnc(NCC[N@@H+]2CCO[C@H](C)C2)c(C#N)c1C ZINC000523732827 268094961 /nfs/dbraw/zinc/09/49/61/268094961.db2.gz DEPIZTPDJHXKLH-SNVBAGLBSA-N 1 2 275.356 1.098 20 30 CDEDLO Cc1nnc(NCC[N@H+]2CCO[C@H](C)C2)c(C#N)c1C ZINC000523732827 268094962 /nfs/dbraw/zinc/09/49/62/268094962.db2.gz DEPIZTPDJHXKLH-SNVBAGLBSA-N 1 2 275.356 1.098 20 30 CDEDLO CN(Cc1cccc(C#N)c1)C(=O)NCCCn1cc[nH+]c1 ZINC000042897397 270226458 /nfs/dbraw/zinc/22/64/58/270226458.db2.gz SBXGBHSWBWIFQZ-UHFFFAOYSA-N 1 2 297.362 1.986 20 30 CDEDLO C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000181344458 279706813 /nfs/dbraw/zinc/70/68/13/279706813.db2.gz RRCZDIVFZSKSQY-FZMZJTMJSA-N 1 2 283.335 1.806 20 30 CDEDLO CCN1CCN(c2ccnc(C#N)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000567498779 293798008 /nfs/dbraw/zinc/79/80/08/293798008.db2.gz ORGHVKVAJPVDII-CQSZACIVSA-N 1 2 282.351 1.560 20 30 CDEDLO N#Cc1cccc(C#N)c1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000365547148 294955689 /nfs/dbraw/zinc/95/56/89/294955689.db2.gz OBUZKHNMCQYKCJ-OAHLLOKOSA-N 1 2 282.347 1.341 20 30 CDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cccnc1C#N ZINC000291179709 297266433 /nfs/dbraw/zinc/26/64/33/297266433.db2.gz RSHFLKCYCMFNDS-CHWSQXEVSA-N 1 2 272.352 1.253 20 30 CDEDLO N#Cc1ccccc1C[N@@H+](CC(N)=O)C1CCCC1 ZINC000047274255 303205897 /nfs/dbraw/zinc/20/58/97/303205897.db2.gz KTOCMQJUZYNBAM-UHFFFAOYSA-N 1 2 257.337 1.788 20 30 CDEDLO N#Cc1ccccc1C[N@H+](CC(N)=O)C1CCCC1 ZINC000047274255 303205898 /nfs/dbraw/zinc/20/58/98/303205898.db2.gz KTOCMQJUZYNBAM-UHFFFAOYSA-N 1 2 257.337 1.788 20 30 CDEDLO CC[C@@H](CC#N)[NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000575932591 328020308 /nfs/dbraw/zinc/02/03/08/328020308.db2.gz OLXYDBNGABLTHD-RYUDHWBXSA-N 1 2 275.356 1.197 20 30 CDEDLO CC#CCNC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000563388722 328061349 /nfs/dbraw/zinc/06/13/49/328061349.db2.gz ZRTAIBNDULMHGW-SECBINFHSA-N 1 2 273.258 1.596 20 30 CDEDLO Cc1ccc2[nH+]c(CNC(=O)N3CCO[C@H](C#N)C3)cn2c1 ZINC000264409668 328159567 /nfs/dbraw/zinc/15/95/67/328159567.db2.gz QQLMAFMBIYKKRU-CYBMUJFWSA-N 1 2 299.334 1.077 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(F)cn1 ZINC000276200373 328217346 /nfs/dbraw/zinc/21/73/46/328217346.db2.gz JNYPLAPTASCEHV-UHFFFAOYSA-N 1 2 292.358 1.269 20 30 CDEDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2ncncc2C#N)CC1 ZINC000578525921 323958302 /nfs/dbraw/zinc/95/83/02/323958302.db2.gz RPWXLSDMQBRXDS-ZDUSSCGKSA-N 1 2 294.362 1.626 20 30 CDEDLO Cc1cccc2c1C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)O2 ZINC000582550261 329106056 /nfs/dbraw/zinc/10/60/56/329106056.db2.gz QNSDCHBAGJCGCJ-HOCLYGCPSA-N 1 2 287.363 1.259 20 30 CDEDLO C=CCN(CC(=O)OCC)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000127191873 329597850 /nfs/dbraw/zinc/59/78/50/329597850.db2.gz KRAUMAMHECWNLR-LBPRGKRZSA-N 1 2 291.351 1.023 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273443812 330092987 /nfs/dbraw/zinc/09/29/87/330092987.db2.gz DSVHQZZESGMRLW-SECBINFHSA-N 1 2 279.296 1.253 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3cc(C#N)ccc3Cl)C[C@H]21 ZINC001140599191 1159166644 /nfs/dbraw/zinc/16/66/44/1159166644.db2.gz SNAOQEMVDFYKCV-CABCVRRESA-N 1 2 291.782 1.726 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3cc(C#N)ccc3Cl)C[C@H]21 ZINC001140599191 1159166647 /nfs/dbraw/zinc/16/66/47/1159166647.db2.gz SNAOQEMVDFYKCV-CABCVRRESA-N 1 2 291.782 1.726 20 30 CDEDLO CN1CCO[C@H]2C[N@H+](Cc3cc(C#N)ccc3Cl)C[C@H]21 ZINC001140599191 1159166651 /nfs/dbraw/zinc/16/66/51/1159166651.db2.gz SNAOQEMVDFYKCV-CABCVRRESA-N 1 2 291.782 1.726 20 30 CDEDLO CN1CCO[C@H]2C[N@@H+](Cc3cc(C#N)ccc3Cl)C[C@H]21 ZINC001140599191 1159166654 /nfs/dbraw/zinc/16/66/54/1159166654.db2.gz SNAOQEMVDFYKCV-CABCVRRESA-N 1 2 291.782 1.726 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cnc(N(C)C)s2)nn1 ZINC000424169566 330312040 /nfs/dbraw/zinc/31/20/40/330312040.db2.gz IKVNZMYBEBUZOI-UHFFFAOYSA-N 1 2 278.385 1.276 20 30 CDEDLO C=CCC(C)(C)CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000432114899 330593086 /nfs/dbraw/zinc/59/30/86/330593086.db2.gz DXPFOXIONZSKGJ-ZIAGYGMSSA-N 1 2 297.443 1.997 20 30 CDEDLO C[C@H]1C[C@@]1(C#N)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000450120889 330962525 /nfs/dbraw/zinc/96/25/25/330962525.db2.gz ZUYPMJIEFORBPZ-COMQUAJESA-N 1 2 272.352 1.842 20 30 CDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000450211490 330966082 /nfs/dbraw/zinc/96/60/82/330966082.db2.gz PYYRJOLHAQSFDJ-JMSVASOKSA-N 1 2 270.336 1.326 20 30 CDEDLO C=CCC[C@H](CO)Nc1nc(NC)c2ccccc2[nH+]1 ZINC000450910997 331006637 /nfs/dbraw/zinc/00/66/37/331006637.db2.gz JSRUGZANZDUBGR-LLVKDONJSA-N 1 2 272.352 1.254 20 30 CDEDLO C=CC(C)(C)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000451493382 331031417 /nfs/dbraw/zinc/03/14/17/331031417.db2.gz GVXXXQYEWHMYRY-LBPRGKRZSA-N 1 2 254.374 1.378 20 30 CDEDLO C[C@@H]1CN(S(=O)(=O)CC(C)(C)CC#N)C[C@H](C)[N@H+]1C ZINC000451609630 331036636 /nfs/dbraw/zinc/03/66/36/331036636.db2.gz SEHJYVKLSZTMHA-TXEJJXNPSA-N 1 2 287.429 1.280 20 30 CDEDLO C[C@@H]1CN(S(=O)(=O)CC(C)(C)CC#N)C[C@H](C)[N@@H+]1C ZINC000451609630 331036637 /nfs/dbraw/zinc/03/66/37/331036637.db2.gz SEHJYVKLSZTMHA-TXEJJXNPSA-N 1 2 287.429 1.280 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000455410591 331169036 /nfs/dbraw/zinc/16/90/36/331169036.db2.gz OMWDRRHBIUXIJX-OLZOCXBDSA-N 1 2 278.356 1.258 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458721354 331257786 /nfs/dbraw/zinc/25/77/86/331257786.db2.gz CMKUBVHAQXFWTC-MCIONIFRSA-N 1 2 281.400 1.504 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458721354 331257787 /nfs/dbraw/zinc/25/77/87/331257787.db2.gz CMKUBVHAQXFWTC-MCIONIFRSA-N 1 2 281.400 1.504 20 30 CDEDLO C=CCn1cccc1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000488383531 332003150 /nfs/dbraw/zinc/00/31/50/332003150.db2.gz FLIZMSSKOVUJHY-ZDUSSCGKSA-N 1 2 277.368 1.125 20 30 CDEDLO C#CCN(CC#CC)C(=O)c1ccc2[nH+]ccn2c1 ZINC000490690681 332104852 /nfs/dbraw/zinc/10/48/52/332104852.db2.gz TZYDHJIFMXYTBA-UHFFFAOYSA-N 1 2 251.289 1.433 20 30 CDEDLO C#CC[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(F)cc1 ZINC000490721941 332109305 /nfs/dbraw/zinc/10/93/05/332109305.db2.gz ZDYWAYRCHAAENV-UHFFFAOYSA-N 1 2 299.349 1.823 20 30 CDEDLO C#CC[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(F)cc1 ZINC000490721941 332109307 /nfs/dbraw/zinc/10/93/07/332109307.db2.gz ZDYWAYRCHAAENV-UHFFFAOYSA-N 1 2 299.349 1.823 20 30 CDEDLO C#CC[N@@H+](CC)Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000490841626 332119639 /nfs/dbraw/zinc/11/96/39/332119639.db2.gz WHSIELBEFGEQSA-UHFFFAOYSA-N 1 2 258.325 1.877 20 30 CDEDLO C#CC[N@H+](CC)Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000490841626 332119640 /nfs/dbraw/zinc/11/96/40/332119640.db2.gz WHSIELBEFGEQSA-UHFFFAOYSA-N 1 2 258.325 1.877 20 30 CDEDLO C#CCNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000490876345 332124091 /nfs/dbraw/zinc/12/40/91/332124091.db2.gz UDJCYGSSSCEQCF-UHFFFAOYSA-N 1 2 263.366 1.209 20 30 CDEDLO C#CC[N@@H+](CC(=O)NC(=O)NCC=C)Cc1ccccc1 ZINC000491125555 332153623 /nfs/dbraw/zinc/15/36/23/332153623.db2.gz FPMMGVWWZBZRDY-UHFFFAOYSA-N 1 2 285.347 1.134 20 30 CDEDLO C#CC[N@H+](CC(=O)NC(=O)NCC=C)Cc1ccccc1 ZINC000491125555 332153625 /nfs/dbraw/zinc/15/36/25/332153625.db2.gz FPMMGVWWZBZRDY-UHFFFAOYSA-N 1 2 285.347 1.134 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000491495155 332222491 /nfs/dbraw/zinc/22/24/91/332222491.db2.gz GZNZAPVWFMRAET-NSHDSACASA-N 1 2 276.336 1.596 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000491495155 332222492 /nfs/dbraw/zinc/22/24/92/332222492.db2.gz GZNZAPVWFMRAET-NSHDSACASA-N 1 2 276.336 1.596 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C[C@@H]1Cc1ccccc1 ZINC000491542484 332233423 /nfs/dbraw/zinc/23/34/23/332233423.db2.gz AJIFETHQMSWECH-HIFRSBDPSA-N 1 2 256.349 1.741 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C[C@@H]1Cc1ccccc1 ZINC000491542484 332233424 /nfs/dbraw/zinc/23/34/24/332233424.db2.gz AJIFETHQMSWECH-HIFRSBDPSA-N 1 2 256.349 1.741 20 30 CDEDLO C#C[C@H]1COCCN1C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000491555320 332237331 /nfs/dbraw/zinc/23/73/31/332237331.db2.gz QJSLIIGNGWPNOK-ZDUSSCGKSA-N 1 2 284.319 1.509 20 30 CDEDLO C#CCn1ccc(CN(CCOC)c2cc(C)[nH+]cn2)n1 ZINC000491615705 332242975 /nfs/dbraw/zinc/24/29/75/332242975.db2.gz FSNRNRIRIDIQSZ-UHFFFAOYSA-N 1 2 285.351 1.268 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000491673227 332279605 /nfs/dbraw/zinc/27/96/05/332279605.db2.gz UDBSFJHODZKXPT-HUUCEWRRSA-N 1 2 260.381 1.734 20 30 CDEDLO C#CC[NH+]1CCN(CN2C[C@H](C3CCCC3)CC2=O)CC1 ZINC000491695926 332291258 /nfs/dbraw/zinc/29/12/58/332291258.db2.gz OTLYUPSOUUGFPY-MRXNPFEDSA-N 1 2 289.423 1.233 20 30 CDEDLO C#C[C@H](NC(=O)C1CC[NH+](CC(F)F)CC1)C(C)C ZINC000491718026 332307184 /nfs/dbraw/zinc/30/71/84/332307184.db2.gz YQFWDMVJDYFVBW-LBPRGKRZSA-N 1 2 272.339 1.738 20 30 CDEDLO C#C[C@@H](NC(=O)NCCc1cn(C)c[nH+]1)C(C)(C)C ZINC000491735099 332315710 /nfs/dbraw/zinc/31/57/10/332315710.db2.gz JPROAAVHPAZXHZ-GFCCVEGCSA-N 1 2 262.357 1.310 20 30 CDEDLO C#CCN(CC)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000491735476 332316113 /nfs/dbraw/zinc/31/61/13/332316113.db2.gz MRHGPOJFZXKNJM-UHFFFAOYSA-N 1 2 281.359 1.956 20 30 CDEDLO C#C[C@H](NC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C)C(C)C ZINC000491779969 332344395 /nfs/dbraw/zinc/34/43/95/332344395.db2.gz JRZMDFLTPYAQKM-ZDUSSCGKSA-N 1 2 287.363 1.719 20 30 CDEDLO C#CC[N@@H+](CCCC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000491779724 332344527 /nfs/dbraw/zinc/34/45/27/332344527.db2.gz KFRILTWUTDTBDO-ZDUSSCGKSA-N 1 2 257.399 1.545 20 30 CDEDLO C#CC[N@H+](CCCC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000491779724 332344528 /nfs/dbraw/zinc/34/45/28/332344528.db2.gz KFRILTWUTDTBDO-ZDUSSCGKSA-N 1 2 257.399 1.545 20 30 CDEDLO C#C[C@H](CC)NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000491780114 332344627 /nfs/dbraw/zinc/34/46/27/332344627.db2.gz IGBMYSAPIDCBGY-VXGBXAGGSA-N 1 2 274.368 1.924 20 30 CDEDLO C#CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC000491782589 332346477 /nfs/dbraw/zinc/34/64/77/332346477.db2.gz IKKVCPFBJPJMHU-UHFFFAOYSA-N 1 2 253.305 1.881 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000491789552 332351583 /nfs/dbraw/zinc/35/15/83/332351583.db2.gz YYCHNPMUDOUHMA-SNVBAGLBSA-N 1 2 260.293 1.307 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000491789552 332351585 /nfs/dbraw/zinc/35/15/85/332351585.db2.gz YYCHNPMUDOUHMA-SNVBAGLBSA-N 1 2 260.293 1.307 20 30 CDEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@](C)(C#N)C(C)C ZINC000492448792 332397901 /nfs/dbraw/zinc/39/79/01/332397901.db2.gz NSTNTEWMNZSDFM-PSKZRQQASA-N 1 2 260.341 1.971 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607083 333090430 /nfs/dbraw/zinc/09/04/30/333090430.db2.gz DZQUTZBYZJOVRH-NSHDSACASA-N 1 2 287.319 1.091 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607083 333090431 /nfs/dbraw/zinc/09/04/31/333090431.db2.gz DZQUTZBYZJOVRH-NSHDSACASA-N 1 2 287.319 1.091 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194734746 333276720 /nfs/dbraw/zinc/27/67/20/333276720.db2.gz WASINCPUKDQDAX-ZNMIVQPWSA-N 1 2 298.427 1.535 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194734746 333276721 /nfs/dbraw/zinc/27/67/21/333276721.db2.gz WASINCPUKDQDAX-ZNMIVQPWSA-N 1 2 298.427 1.535 20 30 CDEDLO C[C@@H]1CCCC[C@@H]1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000572529663 333384127 /nfs/dbraw/zinc/38/41/27/333384127.db2.gz PZEMKBMNFPOGRE-DYEKYZERSA-N 1 2 251.374 1.773 20 30 CDEDLO CC[C@@H](C)[N@H+](CC(=O)NCC#N)CC(=O)OC(C)(C)C ZINC000136346865 334152510 /nfs/dbraw/zinc/15/25/10/334152510.db2.gz PKNBBNIOQLOSOW-LLVKDONJSA-N 1 2 283.372 1.068 20 30 CDEDLO CC[C@@H](C)[N@@H+](CC(=O)NCC#N)CC(=O)OC(C)(C)C ZINC000136346865 334152512 /nfs/dbraw/zinc/15/25/12/334152512.db2.gz PKNBBNIOQLOSOW-LLVKDONJSA-N 1 2 283.372 1.068 20 30 CDEDLO CN(C)c1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1F ZINC000566308536 334641926 /nfs/dbraw/zinc/64/19/26/334641926.db2.gz IBSMPWHAYFMWDT-OAHLLOKOSA-N 1 2 292.358 1.465 20 30 CDEDLO C=CCC[C@H]1NC(=O)N(Cc2ccn3cc[nH+]c3c2)C1=O ZINC000567223370 334694724 /nfs/dbraw/zinc/69/47/24/334694724.db2.gz UIIKRPLPXSVHOT-GFCCVEGCSA-N 1 2 284.319 1.721 20 30 CDEDLO COc1ccc(CCC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000568581370 334831509 /nfs/dbraw/zinc/83/15/09/334831509.db2.gz MGCGFERKJXJHND-INIZCTEOSA-N 1 2 289.379 1.588 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1noc2c1CCCCC2 ZINC000577378505 335345031 /nfs/dbraw/zinc/34/50/31/335345031.db2.gz YDLYXEMIXWUNQB-OAHLLOKOSA-N 1 2 290.367 1.517 20 30 CDEDLO C[C@@H](C(=O)NCc1ccc(CC#N)cc1)[NH+]1CCOCC1 ZINC000577528185 335365350 /nfs/dbraw/zinc/36/53/50/335365350.db2.gz FECLDGICRIDEQY-ZDUSSCGKSA-N 1 2 287.363 1.090 20 30 CDEDLO CC(C)c1ncc(C(=O)N[C@](C)(C#N)C[NH+](C)C)s1 ZINC000577582575 335373002 /nfs/dbraw/zinc/37/30/02/335373002.db2.gz OPHXNXPYNCLQEQ-CYBMUJFWSA-N 1 2 280.397 1.840 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)n[nH]1 ZINC001027763337 1159723451 /nfs/dbraw/zinc/72/34/51/1159723451.db2.gz HQPRQJCVPGPBEC-LLVKDONJSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)n[nH]1 ZINC001027763337 1159723457 /nfs/dbraw/zinc/72/34/57/1159723457.db2.gz HQPRQJCVPGPBEC-LLVKDONJSA-N 1 2 282.775 1.665 20 30 CDEDLO COCC#CC[NH+]1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000677132950 482542527 /nfs/dbraw/zinc/54/25/27/482542527.db2.gz ANQGLSMGXNRKQF-UHFFFAOYSA-N 1 2 277.368 1.059 20 30 CDEDLO CCc1ccc([C@@H](COC)[NH2+]CC#CCOC)o1 ZINC000680395891 483608688 /nfs/dbraw/zinc/60/86/88/483608688.db2.gz PNDWXHUIYSITNP-CYBMUJFWSA-N 1 2 251.326 1.769 20 30 CDEDLO COCC#CC[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000680434433 483619580 /nfs/dbraw/zinc/61/95/80/483619580.db2.gz JZCSFSFMLVQJTA-QGZVFWFLSA-N 1 2 273.376 1.970 20 30 CDEDLO COCC#CC[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000680434433 483619583 /nfs/dbraw/zinc/61/95/83/483619583.db2.gz JZCSFSFMLVQJTA-QGZVFWFLSA-N 1 2 273.376 1.970 20 30 CDEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000683793305 483639681 /nfs/dbraw/zinc/63/96/81/483639681.db2.gz ZFDJGBWKECNTSA-SNVBAGLBSA-N 1 2 273.340 1.609 20 30 CDEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000683793305 483639684 /nfs/dbraw/zinc/63/96/84/483639684.db2.gz ZFDJGBWKECNTSA-SNVBAGLBSA-N 1 2 273.340 1.609 20 30 CDEDLO C#CCC[NH2+][C@H](CNC(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC001752462299 1184866480 /nfs/dbraw/zinc/86/64/80/1184866480.db2.gz CLGAWWFNRYBHMC-ZJUUUORDSA-N 1 2 280.265 1.395 20 30 CDEDLO C[C@H](CNC(=O)C1CCC(=O)CC1)C[NH+]1CCOCC1 ZINC000329967271 534299261 /nfs/dbraw/zinc/29/92/61/534299261.db2.gz VMARRFCTGAHNDQ-GFCCVEGCSA-N 1 2 282.384 1.671 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1c(F)cccc1F ZINC000061760616 518258752 /nfs/dbraw/zinc/25/87/52/518258752.db2.gz GRFWOLMUMAAEQG-UHFFFAOYSA-N 1 2 252.264 1.858 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1c(F)cccc1F ZINC000061760616 518258756 /nfs/dbraw/zinc/25/87/56/518258756.db2.gz GRFWOLMUMAAEQG-UHFFFAOYSA-N 1 2 252.264 1.858 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)CCCOC)CC1 ZINC001113507197 1162200645 /nfs/dbraw/zinc/20/06/45/1162200645.db2.gz DBWJVKDZUFUQLE-ZDUSSCGKSA-N 1 2 254.374 1.379 20 30 CDEDLO N#CCNC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000347943622 534672851 /nfs/dbraw/zinc/67/28/51/534672851.db2.gz HCRUPZIOCLJIHG-UHFFFAOYSA-N 1 2 280.331 1.287 20 30 CDEDLO N#CCNC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000347943622 534672853 /nfs/dbraw/zinc/67/28/53/534672853.db2.gz HCRUPZIOCLJIHG-UHFFFAOYSA-N 1 2 280.331 1.287 20 30 CDEDLO Cc1nnc(N[C@@H](C)Cn2cc[nH+]c2)c(C#N)c1C ZINC000049237435 526372380 /nfs/dbraw/zinc/37/23/80/526372380.db2.gz OAWXVAKOCFLUOO-VIFPVBQESA-N 1 2 256.313 1.662 20 30 CDEDLO Cc1nc(C)c(C#N)c(SCC[N@@H+]2CCO[C@H](C)C2)n1 ZINC000188290894 526688538 /nfs/dbraw/zinc/68/85/38/526688538.db2.gz GIOIGLBWLKWFCT-SNVBAGLBSA-N 1 2 292.408 1.778 20 30 CDEDLO Cc1nc(C)c(C#N)c(SCC[N@H+]2CCO[C@H](C)C2)n1 ZINC000188290894 526688539 /nfs/dbraw/zinc/68/85/39/526688539.db2.gz GIOIGLBWLKWFCT-SNVBAGLBSA-N 1 2 292.408 1.778 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000347614771 526710887 /nfs/dbraw/zinc/71/08/87/526710887.db2.gz AHEXCOQAXAIBKP-UONOGXRCSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000347614771 526710883 /nfs/dbraw/zinc/71/08/83/526710883.db2.gz AHEXCOQAXAIBKP-UONOGXRCSA-N 1 2 268.401 1.816 20 30 CDEDLO N#Cc1cccc(Nc2ccc(N3CCOCC3)[nH+]c2)n1 ZINC000339213704 526724462 /nfs/dbraw/zinc/72/44/62/526724462.db2.gz BWOBGTXGOFCLPA-UHFFFAOYSA-N 1 2 281.319 1.928 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000353627669 527617523 /nfs/dbraw/zinc/61/75/23/527617523.db2.gz ZHNTUQFEMJTRCW-XJKSGUPXSA-N 1 2 291.395 1.965 20 30 CDEDLO CCC[N@@H+]1CCC[C@H]1C(=O)NCCc1nc(C)n[nH]1 ZINC000329126327 528227069 /nfs/dbraw/zinc/22/70/69/528227069.db2.gz UFKBNEBTVLTIGH-NSHDSACASA-N 1 2 265.361 1.487 20 30 CDEDLO CCC[N@H+]1CCC[C@H]1C(=O)NCCc1nc(C)n[nH]1 ZINC000329126327 528227071 /nfs/dbraw/zinc/22/70/71/528227071.db2.gz UFKBNEBTVLTIGH-NSHDSACASA-N 1 2 265.361 1.487 20 30 CDEDLO CCN(CCC#N)C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000331949284 528370579 /nfs/dbraw/zinc/37/05/79/528370579.db2.gz KJYJARAEZNQFPR-CQSZACIVSA-N 1 2 279.384 1.249 20 30 CDEDLO CCN(CCC#N)C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000331949284 528370587 /nfs/dbraw/zinc/37/05/87/528370587.db2.gz KJYJARAEZNQFPR-CQSZACIVSA-N 1 2 279.384 1.249 20 30 CDEDLO COc1cccc(/C=[NH+]\C2CCN(C(C)=O)CC2)c1O ZINC000743333834 574434618 /nfs/dbraw/zinc/43/46/18/574434618.db2.gz ACPVKOLQLCREIK-YBEGLDIGSA-N 1 2 276.336 1.831 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)nc1 ZINC000728866127 574666693 /nfs/dbraw/zinc/66/66/93/574666693.db2.gz MHIUTCFUAILOPN-CQSZACIVSA-N 1 2 280.331 1.737 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cn1 ZINC000728866875 574667784 /nfs/dbraw/zinc/66/77/84/574667784.db2.gz WCMAQXAQFUSFOR-OAHLLOKOSA-N 1 2 280.331 1.737 20 30 CDEDLO C=CCNC(=S)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000753676471 574912998 /nfs/dbraw/zinc/91/29/98/574912998.db2.gz ONHUSMNPAVTFRB-NSHDSACASA-N 1 2 262.382 1.310 20 30 CDEDLO Oc1cccc(/C=[NH+]\Cc2nnnn2-c2ccccc2)c1O ZINC000730434391 574981294 /nfs/dbraw/zinc/98/12/94/574981294.db2.gz LADWBHFANNZOFZ-SXGWCWSVSA-N 1 2 295.302 1.693 20 30 CDEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)cn1 ZINC000730772977 575005742 /nfs/dbraw/zinc/00/57/42/575005742.db2.gz ZYIWCVOMDVOPIE-AWEZNQCLSA-N 1 2 297.362 1.994 20 30 CDEDLO Cc1cc(NCCNc2ccc(C#N)cn2)nc[nH+]1 ZINC000731920638 575071357 /nfs/dbraw/zinc/07/13/57/575071357.db2.gz PIOUSVLXFVLUET-UHFFFAOYSA-N 1 2 254.297 1.576 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000735495284 575473486 /nfs/dbraw/zinc/47/34/86/575473486.db2.gz SVSHQFITJPQUTF-CQSZACIVSA-N 1 2 274.389 1.526 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000735495284 575473488 /nfs/dbraw/zinc/47/34/88/575473488.db2.gz SVSHQFITJPQUTF-CQSZACIVSA-N 1 2 274.389 1.526 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1CCn2ncnc2C1 ZINC000770664011 575482750 /nfs/dbraw/zinc/48/27/50/575482750.db2.gz IJPYMPFCWYRBIQ-UHFFFAOYSA-N 1 2 268.320 1.306 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1CCn2ncnc2C1 ZINC000770664011 575482752 /nfs/dbraw/zinc/48/27/52/575482752.db2.gz IJPYMPFCWYRBIQ-UHFFFAOYSA-N 1 2 268.320 1.306 20 30 CDEDLO C=CC[N@@H+](CN1CC(=O)N(C(C)C)C1=O)C1CC1 ZINC000771642874 575600525 /nfs/dbraw/zinc/60/05/25/575600525.db2.gz VINOYEPTILLWNT-UHFFFAOYSA-N 1 2 251.330 1.267 20 30 CDEDLO C=CC[N@H+](CN1CC(=O)N(C(C)C)C1=O)C1CC1 ZINC000771642874 575600527 /nfs/dbraw/zinc/60/05/27/575600527.db2.gz VINOYEPTILLWNT-UHFFFAOYSA-N 1 2 251.330 1.267 20 30 CDEDLO Cc1noc([C@@H](C)O[NH+]=C(N)c2ccc(F)cc2)n1 ZINC000736297290 575613555 /nfs/dbraw/zinc/61/35/55/575613555.db2.gz VJKGLIVVXOFSDW-SSDOTTSWSA-N 1 2 264.260 1.915 20 30 CDEDLO CON=Cc1ccc(C(=O)OCCn2cc[nH+]c2)cc1 ZINC000771848435 575717603 /nfs/dbraw/zinc/71/76/03/575717603.db2.gz ADRUYAKALFUMQK-UHFFFAOYSA-N 1 2 273.292 1.720 20 30 CDEDLO C#C[C@@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)[C@H]1CCCO1 ZINC000772892979 575765599 /nfs/dbraw/zinc/76/55/99/575765599.db2.gz PGGSGMZRJVLIAC-HUUCEWRRSA-N 1 2 297.358 1.482 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC(O)(C(C)C)C1 ZINC000773894604 575843689 /nfs/dbraw/zinc/84/36/89/575843689.db2.gz UFNIYOOHGQZAAT-ZDUSSCGKSA-N 1 2 268.401 1.502 20 30 CDEDLO C#CCCC[N@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000765063259 575981497 /nfs/dbraw/zinc/98/14/97/575981497.db2.gz OTBMLEFOQYZTQU-UHFFFAOYSA-N 1 2 260.312 1.888 20 30 CDEDLO C#CCCC[N@@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000765063259 575981499 /nfs/dbraw/zinc/98/14/99/575981499.db2.gz OTBMLEFOQYZTQU-UHFFFAOYSA-N 1 2 260.312 1.888 20 30 CDEDLO CCN(CC)c1ccc(C=[NH+]N2CC(=O)N(C)C2=O)cc1 ZINC000768385900 576278568 /nfs/dbraw/zinc/27/85/68/576278568.db2.gz TWYOSOKRAKZKAU-UHFFFAOYSA-N 1 2 288.351 1.761 20 30 CDEDLO C#CCCN(CC(F)(F)F)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000768617556 576300559 /nfs/dbraw/zinc/30/05/59/576300559.db2.gz HMLNGNIXYYKXQO-NSHDSACASA-N 1 2 299.296 1.860 20 30 CDEDLO C#CCCN1CC[NH+]([C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000760859186 576516948 /nfs/dbraw/zinc/51/69/48/576516948.db2.gz DMPIBTQAYYDDKZ-HNNXBMFYSA-N 1 2 277.412 1.028 20 30 CDEDLO C#CCOCCc1nc(-c2ccc(-n3cc[nH+]c3)nc2)no1 ZINC000761478797 576579092 /nfs/dbraw/zinc/57/90/92/576579092.db2.gz WPWMRTQIICFCML-UHFFFAOYSA-N 1 2 295.302 1.510 20 30 CDEDLO CON=Cc1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000742178271 576584603 /nfs/dbraw/zinc/58/46/03/576584603.db2.gz FBSUHFZJJMTIFA-UHFFFAOYSA-N 1 2 258.281 1.320 20 30 CDEDLO CON=Cc1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000742178271 576584605 /nfs/dbraw/zinc/58/46/05/576584605.db2.gz FBSUHFZJJMTIFA-UHFFFAOYSA-N 1 2 258.281 1.320 20 30 CDEDLO COc1ccc(C(N)=[NH+]OC[C@H]2CC3(CC3)C(=O)O2)cc1 ZINC000762204957 576628745 /nfs/dbraw/zinc/62/87/45/576628745.db2.gz BUSMNVPIOOCUMP-GFCCVEGCSA-N 1 2 290.319 1.428 20 30 CDEDLO N#Cc1cnn(C(=O)c2cccc(Cn3cc[nH+]c3)c2)c1N ZINC000746889712 576850254 /nfs/dbraw/zinc/85/02/54/576850254.db2.gz RGKGDUBNDSZBLW-UHFFFAOYSA-N 1 2 292.302 1.270 20 30 CDEDLO COCCC1N=NC(=S)N1N=C1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000753959008 576869979 /nfs/dbraw/zinc/86/99/79/576869979.db2.gz COEUBFZYDUVCJT-VIFPVBQESA-N 1 2 295.412 1.216 20 30 CDEDLO COCCC1N=NC(=S)N1N=C1C[C@H](C)[N@H+](C2CC2)C1 ZINC000753959008 576869981 /nfs/dbraw/zinc/86/99/81/576869981.db2.gz COEUBFZYDUVCJT-VIFPVBQESA-N 1 2 295.412 1.216 20 30 CDEDLO N#CC1CC[NH+](CN2CC3(CCCC3)CC2=O)CC1 ZINC000747454216 576871096 /nfs/dbraw/zinc/87/10/96/576871096.db2.gz KQJNDLBRNDOQEF-UHFFFAOYSA-N 1 2 261.369 1.972 20 30 CDEDLO C#CC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000754035190 576874549 /nfs/dbraw/zinc/87/45/49/576874549.db2.gz IDFIVMLKHMHXGS-LLVKDONJSA-N 1 2 252.264 1.317 20 30 CDEDLO CC(C)C[N@H+](CCC#N)CC(=O)NC(=O)NC(C)(C)C ZINC000755669846 576954466 /nfs/dbraw/zinc/95/44/66/576954466.db2.gz IHFFWYCDVQNHNN-UHFFFAOYSA-N 1 2 282.388 1.482 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)CC(=O)NC(=O)NC(C)(C)C ZINC000755669846 576954467 /nfs/dbraw/zinc/95/44/67/576954467.db2.gz IHFFWYCDVQNHNN-UHFFFAOYSA-N 1 2 282.388 1.482 20 30 CDEDLO C(N=NC1=[NH+][C@H]2CCCC[C@@H]2N1)C1CCOCC1 ZINC000755813209 576962651 /nfs/dbraw/zinc/96/26/51/576962651.db2.gz BAPZOCDRGSGHKI-RYUDHWBXSA-N 1 2 250.346 1.259 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)c1ccc2c(c1)OCO2 ZINC000756283561 576984132 /nfs/dbraw/zinc/98/41/32/576984132.db2.gz FOJMIJVLZKGYTL-ZDUSSCGKSA-N 1 2 286.331 1.476 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)c1ccc2c(c1)OCO2 ZINC000756283561 576984134 /nfs/dbraw/zinc/98/41/34/576984134.db2.gz FOJMIJVLZKGYTL-ZDUSSCGKSA-N 1 2 286.331 1.476 20 30 CDEDLO Cc1cccc(OCC[N@@H+](C)Cn2cccc(C#N)c2=O)c1 ZINC000758203254 577081248 /nfs/dbraw/zinc/08/12/48/577081248.db2.gz LUGOYPBCDPVKBR-UHFFFAOYSA-N 1 2 297.358 1.997 20 30 CDEDLO Cc1cccc(OCC[N@H+](C)Cn2cccc(C#N)c2=O)c1 ZINC000758203254 577081250 /nfs/dbraw/zinc/08/12/50/577081250.db2.gz LUGOYPBCDPVKBR-UHFFFAOYSA-N 1 2 297.358 1.997 20 30 CDEDLO Cc1ccn(C[N@@H+]2CCCOC(C)(C)C2)c(=O)c1C#N ZINC000758220875 577084309 /nfs/dbraw/zinc/08/43/09/577084309.db2.gz CRINZADXLVKAGR-UHFFFAOYSA-N 1 2 275.352 1.487 20 30 CDEDLO Cc1ccn(C[N@H+]2CCCOC(C)(C)C2)c(=O)c1C#N ZINC000758220875 577084311 /nfs/dbraw/zinc/08/43/11/577084311.db2.gz CRINZADXLVKAGR-UHFFFAOYSA-N 1 2 275.352 1.487 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000752108547 577089480 /nfs/dbraw/zinc/08/94/80/577089480.db2.gz UPBXCRRAWJKALF-LBPRGKRZSA-N 1 2 292.766 1.543 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000752108547 577089481 /nfs/dbraw/zinc/08/94/81/577089481.db2.gz UPBXCRRAWJKALF-LBPRGKRZSA-N 1 2 292.766 1.543 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(C)on2)C1 ZINC000949636593 612991659 /nfs/dbraw/zinc/99/16/59/612991659.db2.gz LCWSWIFWPDCFID-UHFFFAOYSA-N 1 2 261.325 1.153 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnn(CCF)c2)C1 ZINC000950692480 612993105 /nfs/dbraw/zinc/99/31/05/612993105.db2.gz SMZGTMHDQUZOPM-UHFFFAOYSA-N 1 2 292.358 1.022 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2c(C)noc2C(C)C)CC1 ZINC000981376394 613156425 /nfs/dbraw/zinc/15/64/25/613156425.db2.gz WHDSQACQIXVRMF-UHFFFAOYSA-N 1 2 289.379 1.888 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2c(C)noc2C(C)C)CC1 ZINC000981376394 613156426 /nfs/dbraw/zinc/15/64/26/613156426.db2.gz WHDSQACQIXVRMF-UHFFFAOYSA-N 1 2 289.379 1.888 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccoc3)CC2)C1 ZINC000949298559 613210072 /nfs/dbraw/zinc/21/00/72/613210072.db2.gz KTEVEHOLVGDYDN-UHFFFAOYSA-N 1 2 288.347 1.220 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccoc3)CC2)C1 ZINC000949298559 613210074 /nfs/dbraw/zinc/21/00/74/613210074.db2.gz KTEVEHOLVGDYDN-UHFFFAOYSA-N 1 2 288.347 1.220 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc3nc[nH]c32)[C@H](C)C1 ZINC000943745390 613237305 /nfs/dbraw/zinc/23/73/05/613237305.db2.gz SUNUBWGZIZPVMZ-TZMCWYRMSA-N 1 2 296.374 1.636 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cccc3nc[nH]c32)[C@H](C)C1 ZINC000943745390 613237308 /nfs/dbraw/zinc/23/73/08/613237308.db2.gz SUNUBWGZIZPVMZ-TZMCWYRMSA-N 1 2 296.374 1.636 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2ccc3[nH]nnc3c2)C[C@@H]1C ZINC000948026731 613269819 /nfs/dbraw/zinc/26/98/19/613269819.db2.gz SWXHQFYOFLRVFH-AAEUAGOBSA-N 1 2 297.362 1.174 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3[nH]nnc3c2)C[C@@H]1C ZINC000948026731 613269822 /nfs/dbraw/zinc/26/98/22/613269822.db2.gz SWXHQFYOFLRVFH-AAEUAGOBSA-N 1 2 297.362 1.174 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(OC)nn2)C1 ZINC000957094691 613296563 /nfs/dbraw/zinc/29/65/63/613296563.db2.gz OEJZCSARQCUQFR-UHFFFAOYSA-N 1 2 290.367 1.208 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnn(C)c2C)C1 ZINC000949678776 613297483 /nfs/dbraw/zinc/29/74/83/613297483.db2.gz VUBKSKQHYBBWRM-UHFFFAOYSA-N 1 2 276.384 1.451 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2c[nH]nc2CC)CC1 ZINC000949046023 613320089 /nfs/dbraw/zinc/32/00/89/613320089.db2.gz JHBDBEWOQGDQSW-UHFFFAOYSA-N 1 2 262.357 1.306 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnc3ccc(C)cn23)CC1 ZINC000949274450 613321655 /nfs/dbraw/zinc/32/16/55/613321655.db2.gz KZMAZJQZELNXBP-UHFFFAOYSA-N 1 2 298.390 1.977 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnnc(C)c2)C1 ZINC000969560758 613372652 /nfs/dbraw/zinc/37/26/52/613372652.db2.gz IGCSFZMIVWLNNS-NSHDSACASA-N 1 2 294.786 1.588 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000982002917 613373538 /nfs/dbraw/zinc/37/35/38/613373538.db2.gz NGIWILVEYOMBAU-MCIONIFRSA-N 1 2 298.814 1.841 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000982002917 613373539 /nfs/dbraw/zinc/37/35/39/613373539.db2.gz NGIWILVEYOMBAU-MCIONIFRSA-N 1 2 298.814 1.841 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CCO[C@@H]2C)CC1 ZINC000982795935 613373807 /nfs/dbraw/zinc/37/38/07/613373807.db2.gz PWJOTCXIVUNBMR-OLZOCXBDSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CCO[C@@H]2C)CC1 ZINC000982795935 613373808 /nfs/dbraw/zinc/37/38/08/613373808.db2.gz PWJOTCXIVUNBMR-OLZOCXBDSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC000968471608 613375875 /nfs/dbraw/zinc/37/58/75/613375875.db2.gz IAUUSFNYDRJQGP-ZYHUDNBSSA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC000968471608 613375876 /nfs/dbraw/zinc/37/58/76/613375876.db2.gz IAUUSFNYDRJQGP-ZYHUDNBSSA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC000965375850 613377559 /nfs/dbraw/zinc/37/75/59/613377559.db2.gz WYJGBPVFSNMNLJ-ZANVPECISA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC000965375850 613377560 /nfs/dbraw/zinc/37/75/60/613377560.db2.gz WYJGBPVFSNMNLJ-ZANVPECISA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC000965985475 613378207 /nfs/dbraw/zinc/37/82/07/613378207.db2.gz PKAZPLGWYNGICL-JOYOIKCWSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC000965985475 613378208 /nfs/dbraw/zinc/37/82/08/613378208.db2.gz PKAZPLGWYNGICL-JOYOIKCWSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cnccn2)C(C)(C)C1 ZINC000972765189 613379907 /nfs/dbraw/zinc/37/99/07/613379907.db2.gz FYOYUBXXQOMHMV-GFCCVEGCSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cnccn2)C(C)(C)C1 ZINC000972765189 613379908 /nfs/dbraw/zinc/37/99/08/613379908.db2.gz FYOYUBXXQOMHMV-GFCCVEGCSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cncnc2)C(C)(C)C1 ZINC000974477649 613379916 /nfs/dbraw/zinc/37/99/16/613379916.db2.gz JDMZJUPKFKGHET-GFCCVEGCSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cncnc2)C(C)(C)C1 ZINC000974477649 613379917 /nfs/dbraw/zinc/37/99/17/613379917.db2.gz JDMZJUPKFKGHET-GFCCVEGCSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ncc[nH]2)C(C)(C)C1 ZINC000974579543 613380310 /nfs/dbraw/zinc/38/03/10/613380310.db2.gz SESUUQQBDMNKEM-SNVBAGLBSA-N 1 2 282.775 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ncc[nH]2)C(C)(C)C1 ZINC000974579543 613380311 /nfs/dbraw/zinc/38/03/11/613380311.db2.gz SESUUQQBDMNKEM-SNVBAGLBSA-N 1 2 282.775 1.602 20 30 CDEDLO C#CCONC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000812783202 617335865 /nfs/dbraw/zinc/33/58/65/617335865.db2.gz CWOGXQYJDCCHQY-UHFFFAOYSA-N 1 2 255.277 1.226 20 30 CDEDLO C=CCCCN(CC)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000890812225 617338551 /nfs/dbraw/zinc/33/85/51/617338551.db2.gz HOWVINXOUFSVRX-UHFFFAOYSA-N 1 2 268.401 1.912 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2OCc3ccccc32)CC1 ZINC000957495126 613563171 /nfs/dbraw/zinc/56/31/71/613563171.db2.gz LGNSDYDQIXMLIU-KRWDZBQOSA-N 1 2 298.386 1.816 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)C)C2)C1 ZINC000972648936 613569966 /nfs/dbraw/zinc/56/99/66/613569966.db2.gz DNMANSMNOMDSPE-INIZCTEOSA-N 1 2 278.396 1.359 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)C)C2)C1 ZINC000972648936 613569967 /nfs/dbraw/zinc/56/99/67/613569967.db2.gz DNMANSMNOMDSPE-INIZCTEOSA-N 1 2 278.396 1.359 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2nccs2)C1 ZINC000968463913 613574165 /nfs/dbraw/zinc/57/41/65/613574165.db2.gz GDHURNYVXJJLKM-NEPJUHHUSA-N 1 2 277.393 1.607 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2nccs2)C1 ZINC000968463913 613574166 /nfs/dbraw/zinc/57/41/66/613574166.db2.gz GDHURNYVXJJLKM-NEPJUHHUSA-N 1 2 277.393 1.607 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC#C[C@H]1CCCCO1 ZINC000891115284 617365303 /nfs/dbraw/zinc/36/53/03/617365303.db2.gz FEBJBLLXNALOSI-GXTWGEPZSA-N 1 2 275.352 1.277 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC#C[C@H]1CCCCO1 ZINC000891115284 617365304 /nfs/dbraw/zinc/36/53/04/617365304.db2.gz FEBJBLLXNALOSI-GXTWGEPZSA-N 1 2 275.352 1.277 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCO[C@H]2C)C1 ZINC000949963007 613653457 /nfs/dbraw/zinc/65/34/57/613653457.db2.gz ONWLCFQUSNGMMR-GXTWGEPZSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC(=O)N2C(C)C)C1 ZINC000951369037 613653861 /nfs/dbraw/zinc/65/38/61/613653861.db2.gz WBGKRBVHEKUUKV-AWEZNQCLSA-N 1 2 293.411 1.105 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CC23CCOCC3)C1 ZINC000957473501 613654756 /nfs/dbraw/zinc/65/47/56/613654756.db2.gz ILZUQMCMCQGSHP-CQSZACIVSA-N 1 2 278.396 1.522 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCCOCC2)C1 ZINC000949985883 613655455 /nfs/dbraw/zinc/65/54/55/613655455.db2.gz NJHMVJILVDGBOX-ZDUSSCGKSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CCN1CC(N(CC)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000950643149 613655999 /nfs/dbraw/zinc/65/59/99/613655999.db2.gz XGUYBMNWXWHVEF-ZDUSSCGKSA-N 1 2 288.395 1.164 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2COc3ccccc32)C1 ZINC000957456158 613656022 /nfs/dbraw/zinc/65/60/22/613656022.db2.gz UELPPXVPBUQYQQ-HNNXBMFYSA-N 1 2 286.375 1.881 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@@]23CCOC3)C1 ZINC000957109149 613656099 /nfs/dbraw/zinc/65/60/99/613656099.db2.gz VTUZDYPYIUFQOD-UKRRQHHQSA-N 1 2 264.369 1.132 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2ccnc(C)n2)CC1 ZINC000949468176 613707630 /nfs/dbraw/zinc/70/76/30/613707630.db2.gz CSWPGJNDJOAIGI-UHFFFAOYSA-N 1 2 274.368 1.048 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2[nH]nc3ccccc32)CC1 ZINC000957755022 613709997 /nfs/dbraw/zinc/70/99/97/613709997.db2.gz ZMPGFLKGENRROY-UHFFFAOYSA-N 1 2 284.363 1.436 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCO[C@H]2CC)CC1 ZINC000948698464 613712923 /nfs/dbraw/zinc/71/29/23/613712923.db2.gz GBBWTIYLXSCDPF-KBPBESRZSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C3CC3)n(CC)n2)CC1 ZINC000948702659 613714975 /nfs/dbraw/zinc/71/49/75/613714975.db2.gz BWRDRYJPHFEPFM-UHFFFAOYSA-N 1 2 288.395 1.724 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3[nH]ccc3n2)CC1 ZINC000949277485 613716043 /nfs/dbraw/zinc/71/60/43/613716043.db2.gz QZBJCALBBCBUCO-UHFFFAOYSA-N 1 2 270.336 1.507 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3nc(C)n(C)c3c2)CC1 ZINC000949606771 613716377 /nfs/dbraw/zinc/71/63/77/613716377.db2.gz KLHRNEZMEIPULD-UHFFFAOYSA-N 1 2 298.390 1.826 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)C3CC3)C2)C1 ZINC000972695823 613723760 /nfs/dbraw/zinc/72/37/60/613723760.db2.gz UULLVMQUYFWQRU-YOEHRIQHSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)C3CC3)C2)C1 ZINC000972695823 613723761 /nfs/dbraw/zinc/72/37/61/613723761.db2.gz UULLVMQUYFWQRU-YOEHRIQHSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](OC)C(C)C)C2)C1 ZINC000972532480 613726146 /nfs/dbraw/zinc/72/61/46/613726146.db2.gz RVQWWEZELHVGGF-GOEBONIOSA-N 1 2 296.411 1.147 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](OC)C(C)C)C2)C1 ZINC000972532480 613726147 /nfs/dbraw/zinc/72/61/47/613726147.db2.gz RVQWWEZELHVGGF-GOEBONIOSA-N 1 2 296.411 1.147 20 30 CDEDLO CCc1cc(N2CCN(CC#N)CC2)nc(CC)[nH+]1 ZINC000892258611 617590530 /nfs/dbraw/zinc/59/05/30/617590530.db2.gz BYSNGPRQTJFFAH-UHFFFAOYSA-N 1 2 259.357 1.247 20 30 CDEDLO C=CC(C)(C)NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000892839963 617813576 /nfs/dbraw/zinc/81/35/76/617813576.db2.gz XGCMWTYVYQTAIX-NWDGAFQWSA-N 1 2 269.389 1.359 20 30 CDEDLO C=C1CCC(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000892871482 617847645 /nfs/dbraw/zinc/84/76/45/617847645.db2.gz RIUPROUTUINXGL-OAHLLOKOSA-N 1 2 278.396 1.666 20 30 CDEDLO C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000157400992 617983875 /nfs/dbraw/zinc/98/38/75/617983875.db2.gz OOGYKNHBGJMVTP-SECBINFHSA-N 1 2 276.340 1.085 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnn(C3CCC3)c2)C1=O ZINC000894230226 618739429 /nfs/dbraw/zinc/73/94/29/618739429.db2.gz BSWXUHZAKUXNDK-HNNXBMFYSA-N 1 2 288.395 1.827 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnn(C3CCC3)c2)C1=O ZINC000894230226 618739430 /nfs/dbraw/zinc/73/94/30/618739430.db2.gz BSWXUHZAKUXNDK-HNNXBMFYSA-N 1 2 288.395 1.827 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(OC)o2)C1=O ZINC000894231377 618740325 /nfs/dbraw/zinc/74/03/25/618740325.db2.gz ORRIBRHXIIGLHX-LBPRGKRZSA-N 1 2 264.325 1.507 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(OC)o2)C1=O ZINC000894231377 618740327 /nfs/dbraw/zinc/74/03/27/618740327.db2.gz ORRIBRHXIIGLHX-LBPRGKRZSA-N 1 2 264.325 1.507 20 30 CDEDLO C[C@H](Nc1nc(Cl)c(C#N)s1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000895247103 619492867 /nfs/dbraw/zinc/49/28/67/619492867.db2.gz SORWJLHWPGAORF-IUCAKERBSA-N 1 2 299.831 1.714 20 30 CDEDLO C[C@H](Nc1nc(Cl)c(C#N)s1)[C@@H]1CN(C)CC[N@H+]1C ZINC000895247103 619492870 /nfs/dbraw/zinc/49/28/70/619492870.db2.gz 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/nfs/dbraw/zinc/32/80/65/626328065.db2.gz CZQOALXMXSVFFM-SECBINFHSA-N 1 2 273.358 1.360 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccsc1C#N ZINC000906199874 627146900 /nfs/dbraw/zinc/14/69/00/627146900.db2.gz REPUXYVUVAZDRS-SECBINFHSA-N 1 2 260.322 1.635 20 30 CDEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@]2(C#N)CC2(C)C)[nH]n1 ZINC000908298319 628129493 /nfs/dbraw/zinc/12/94/93/628129493.db2.gz FMFZYUOVLGLPPU-WFASDCNBSA-N 1 2 287.367 1.598 20 30 CDEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@]2(C#N)CC2(C)C)[nH]n1 ZINC000908298319 628129496 /nfs/dbraw/zinc/12/94/96/628129496.db2.gz FMFZYUOVLGLPPU-WFASDCNBSA-N 1 2 287.367 1.598 20 30 CDEDLO C=CCC[C@H]1CCCN1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000911980345 629676290 /nfs/dbraw/zinc/67/62/90/629676290.db2.gz AELAQKXGZQHRKZ-GJZGRUSLSA-N 1 2 295.427 1.847 20 30 CDEDLO N#Cc1cc(N2CC[NH+](Cc3cncs3)CC2)ccn1 ZINC000912300083 629902715 /nfs/dbraw/zinc/90/27/15/629902715.db2.gz BZTZMBBZUDRTHT-UHFFFAOYSA-N 1 2 285.376 1.732 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913460220 630490173 /nfs/dbraw/zinc/49/01/73/630490173.db2.gz MYHOJNJZYHFSDO-GFCCVEGCSA-N 1 2 262.357 1.105 20 30 CDEDLO C=C1CCC(C(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)CC1 ZINC000913473950 630498543 /nfs/dbraw/zinc/49/85/43/630498543.db2.gz GHJZFWHRQWUOAG-HNNXBMFYSA-N 1 2 288.395 1.639 20 30 CDEDLO CC(C)(C#N)CS(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000914236786 631275959 /nfs/dbraw/zinc/27/59/59/631275959.db2.gz FBJYNRXGPQNRCC-LLVKDONJSA-N 1 2 296.396 1.469 20 30 CDEDLO N#Cc1cccc(OCC(=O)NCCCCn2cc[nH+]c2)c1 ZINC000918705826 632420189 /nfs/dbraw/zinc/42/01/89/632420189.db2.gz LQGKSWDBRAEOMI-UHFFFAOYSA-N 1 2 298.346 1.730 20 30 CDEDLO C=CC[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000154964483 632573722 /nfs/dbraw/zinc/57/37/22/632573722.db2.gz KAJUCTAABZMMRK-UHFFFAOYSA-N 1 2 273.296 1.929 20 30 CDEDLO C=CC[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000154964483 632573734 /nfs/dbraw/zinc/57/37/34/632573734.db2.gz KAJUCTAABZMMRK-UHFFFAOYSA-N 1 2 273.296 1.929 20 30 CDEDLO C=C(Br)C[NH+]1CCC(NC(=O)COC)CC1 ZINC000919647705 632647815 /nfs/dbraw/zinc/64/78/15/632647815.db2.gz HQASMHGHDLWGAJ-UHFFFAOYSA-N 1 2 291.189 1.122 20 30 CDEDLO C=C(C)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO ZINC000217674854 1158758477 /nfs/dbraw/zinc/75/84/77/1158758477.db2.gz CGJMMCUXKDDMOZ-GFCCVEGCSA-N 1 2 270.373 1.476 20 30 CDEDLO C=C(C)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO ZINC000217674854 1158758479 /nfs/dbraw/zinc/75/84/79/1158758479.db2.gz CGJMMCUXKDDMOZ-GFCCVEGCSA-N 1 2 270.373 1.476 20 30 CDEDLO N#Cc1ccc(CNc2[nH+]cnc3[nH]cc(C(N)=O)c32)s1 ZINC001170199609 1162306065 /nfs/dbraw/zinc/30/60/65/1162306065.db2.gz CADDBDYWABTREU-UHFFFAOYSA-N 1 2 298.331 1.554 20 30 CDEDLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C)c2ccc(C#N)cc2)C1 ZINC000805470624 1162573334 /nfs/dbraw/zinc/57/33/34/1162573334.db2.gz RWMVHQAXNVRKMJ-DOMZBBRYSA-N 1 2 288.347 1.883 20 30 CDEDLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C)c2ccc(C#N)cc2)C1 ZINC000805470624 1162573336 /nfs/dbraw/zinc/57/33/36/1162573336.db2.gz RWMVHQAXNVRKMJ-DOMZBBRYSA-N 1 2 288.347 1.883 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nc(C(C)C)no1 ZINC001132404235 1163270901 /nfs/dbraw/zinc/27/09/01/1163270901.db2.gz XEIPEEIQGMVHIJ-UHFFFAOYSA-N 1 2 280.372 1.611 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001132577290 1163383610 /nfs/dbraw/zinc/38/36/10/1163383610.db2.gz RWJJIQQLXCHIKQ-QWRGUYRKSA-N 1 2 280.372 1.296 20 30 CDEDLO Cn1cc[nH+]c1NN=Cc1ccc(-c2nn[nH]n2)cc1 ZINC001609481140 1164966769 /nfs/dbraw/zinc/96/67/69/1164966769.db2.gz YVBFHTAMGHRKMB-UHFFFAOYSA-N 1 2 268.284 1.046 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)NCc1ccc(OCC#N)cc1 ZINC001646941397 1168274675 /nfs/dbraw/zinc/27/46/75/1168274675.db2.gz VMEITLXWVBEIGV-UHFFFAOYSA-N 1 2 298.346 1.571 20 30 CDEDLO COc1cc(C#N)ccc1OC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC001574012425 1170864185 /nfs/dbraw/zinc/86/41/85/1170864185.db2.gz KMYLSPOOQZTHLI-XHDPSFHLSA-N 1 2 290.319 1.239 20 30 CDEDLO C=C(Br)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001583913927 1172788498 /nfs/dbraw/zinc/78/84/98/1172788498.db2.gz CXLRWPCWLWQJSY-UHFFFAOYSA-N 1 2 258.119 1.285 20 30 CDEDLO C[C@H](C#N)C[N@@H+](Cc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001588934195 1173114315 /nfs/dbraw/zinc/11/43/15/1173114315.db2.gz FXHLMCZJPMGZOE-SNVBAGLBSA-N 1 2 283.339 1.386 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001715000436 1179499299 /nfs/dbraw/zinc/49/92/99/1179499299.db2.gz WEQUTDMSUZKOEY-ZDUSSCGKSA-N 1 2 290.411 1.713 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001715000436 1179499303 /nfs/dbraw/zinc/49/93/03/1179499303.db2.gz WEQUTDMSUZKOEY-ZDUSSCGKSA-N 1 2 290.411 1.713 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC)C2)CC1 ZINC001731374238 1182345764 /nfs/dbraw/zinc/34/57/64/1182345764.db2.gz MXIQKCHICZMFFB-CQSZACIVSA-N 1 2 293.411 1.059 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC)C2)CC1 ZINC001731374238 1182345770 /nfs/dbraw/zinc/34/57/70/1182345770.db2.gz MXIQKCHICZMFFB-CQSZACIVSA-N 1 2 293.411 1.059 20 30 CDEDLO C#CCC[NH2+][C@H](CNC(=O)C(F)C(F)(F)F)C1CC1 ZINC001752462299 1184866478 /nfs/dbraw/zinc/86/64/78/1184866478.db2.gz CLGAWWFNRYBHMC-ZJUUUORDSA-N 1 2 280.265 1.395 20 30 CDEDLO CC#CCCCC(=O)NC[C@@H](C)[NH2+]Cc1nncs1 ZINC001752892773 1184952835 /nfs/dbraw/zinc/95/28/35/1184952835.db2.gz KDLYADDFCKTFKA-LLVKDONJSA-N 1 2 280.397 1.326 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCC[N@@H+](CC)Cc1nocc1C ZINC001753080815 1185046911 /nfs/dbraw/zinc/04/69/11/1185046911.db2.gz JBNSKNOEUXCBRF-OAHLLOKOSA-N 1 2 295.383 1.248 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCC[N@H+](CC)Cc1nocc1C ZINC001753080815 1185046918 /nfs/dbraw/zinc/04/69/18/1185046918.db2.gz JBNSKNOEUXCBRF-OAHLLOKOSA-N 1 2 295.383 1.248 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)C(F)(F)F ZINC001753426942 1185199629 /nfs/dbraw/zinc/19/96/29/1185199629.db2.gz WRFVDIZZHXUFND-QWRGUYRKSA-N 1 2 288.313 1.883 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)C(F)(F)F ZINC001753426942 1185199632 /nfs/dbraw/zinc/19/96/32/1185199632.db2.gz WRFVDIZZHXUFND-QWRGUYRKSA-N 1 2 288.313 1.883 20 30 CDEDLO C=CC(C)(C)CC(=O)NC[C@H]1CCN1Cc1c[nH+]cn1C ZINC001754484865 1185638814 /nfs/dbraw/zinc/63/88/14/1185638814.db2.gz JVGNXOLCRCGAQH-CYBMUJFWSA-N 1 2 290.411 1.713 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)COc1ccc2c(c1)CCC2 ZINC001754501368 1185646471 /nfs/dbraw/zinc/64/64/71/1185646471.db2.gz RFVRRZIGCLWWMO-MRXNPFEDSA-N 1 2 298.386 1.378 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)COc1ccc2c(c1)CCC2 ZINC001754501368 1185646475 /nfs/dbraw/zinc/64/64/75/1185646475.db2.gz RFVRRZIGCLWWMO-MRXNPFEDSA-N 1 2 298.386 1.378 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1(C)C(C)(C)C1(C)C ZINC001754505140 1185648376 /nfs/dbraw/zinc/64/83/76/1185648376.db2.gz QXHDXSMWNOMWKL-GFCCVEGCSA-N 1 2 262.397 1.882 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1(C)C(C)(C)C1(C)C ZINC001754505140 1185648377 /nfs/dbraw/zinc/64/83/77/1185648377.db2.gz QXHDXSMWNOMWKL-GFCCVEGCSA-N 1 2 262.397 1.882 20 30 CDEDLO CN(C(=O)C#CC(C)(C)C)C1C[NH+](CCOCC2CC2)C1 ZINC001754575003 1185670787 /nfs/dbraw/zinc/67/07/87/1185670787.db2.gz LLIIHQPUWYELEI-UHFFFAOYSA-N 1 2 292.423 1.605 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)CC2(COC)CC2)C1 ZINC001754574675 1185670896 /nfs/dbraw/zinc/67/08/96/1185670896.db2.gz ALLLTPGSRRTHPA-UHFFFAOYSA-N 1 2 252.358 1.132 20 30 CDEDLO CC#CCCCC(=O)N(C)C1C[NH+](CCn2cccn2)C1 ZINC001754582388 1185675355 /nfs/dbraw/zinc/67/53/55/1185675355.db2.gz QFDIKEAVYXLDDP-UHFFFAOYSA-N 1 2 288.395 1.219 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)CCCC(C)C)CO2 ZINC001755063204 1185804425 /nfs/dbraw/zinc/80/44/25/1185804425.db2.gz IEKCEQKOLRQIPM-HNNXBMFYSA-N 1 2 292.423 1.796 20 30 CDEDLO C=CCCC(=O)N(C)C1CC([NH2+][C@@H](C)c2noc(C)n2)C1 ZINC001755854878 1186090986 /nfs/dbraw/zinc/09/09/86/1186090986.db2.gz WLDXQMXOASQLKD-PKSQDBQZSA-N 1 2 292.383 1.984 20 30 CDEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(C(=O)OC)cs1 ZINC000852103651 1164449518 /nfs/dbraw/zinc/44/95/18/1164449518.db2.gz NPKTYZBTWPCZSW-LBPRGKRZSA-N 1 2 252.339 1.821 20 30 CDEDLO C#C[C@](C)(CC)[NH2+]Cc1csc(CS(C)(=O)=O)n1 ZINC000852103128 1164449937 /nfs/dbraw/zinc/44/99/37/1164449937.db2.gz YCRBOYAJEIMRBK-GFCCVEGCSA-N 1 2 286.422 1.579 20 30 CDEDLO CCCNN=Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872342149 1165418527 /nfs/dbraw/zinc/41/85/27/1165418527.db2.gz OYAHKMLRANPYER-UHFFFAOYSA-N 1 2 291.395 1.731 20 30 CDEDLO C=CC(C)(C)CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000879942159 1166429447 /nfs/dbraw/zinc/42/94/47/1166429447.db2.gz TYXUSDFFUMWJJR-UONOGXRCSA-N 1 2 280.412 1.910 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2scnc2COC)[C@H]1C ZINC001088907594 912242321 /nfs/dbraw/zinc/24/23/21/912242321.db2.gz BEWPKGOFFOIHRY-MNOVXSKESA-N 1 2 293.392 1.115 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2scnc2COC)[C@H]1C ZINC001088907594 912242338 /nfs/dbraw/zinc/24/23/38/912242338.db2.gz BEWPKGOFFOIHRY-MNOVXSKESA-N 1 2 293.392 1.115 20 30 CDEDLO CCc1ccc(C[C@H](C)N2CC[NH2+]C[C@H]2C#N)cc1 ZINC001173241312 912375866 /nfs/dbraw/zinc/37/58/66/912375866.db2.gz UUUAXFPDWPLOFX-XJKSGUPXSA-N 1 2 257.381 1.977 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@]23CCO[C@@H]2CCCC3)C1 ZINC001030663859 912383439 /nfs/dbraw/zinc/38/34/39/912383439.db2.gz IPMLVOXUIAMUOO-ZBFHGGJFSA-N 1 2 276.380 1.159 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001030665583 912396504 /nfs/dbraw/zinc/39/65/04/912396504.db2.gz KOAPEYVANIUTSS-HIFRSBDPSA-N 1 2 264.369 1.322 20 30 CDEDLO C=CCOC1CCC([NH2+]C2(C(=O)OC)CC2)CC1 ZINC001173311602 912404079 /nfs/dbraw/zinc/40/40/79/912404079.db2.gz MLICYSZOYNHJBO-UHFFFAOYSA-N 1 2 253.342 1.795 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc(C(F)F)cc2)C1 ZINC001030667491 912409656 /nfs/dbraw/zinc/40/96/56/912409656.db2.gz OXBBFNBNLJOUGY-UHFFFAOYSA-N 1 2 292.329 1.990 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3cncnc3)CC2)s1 ZINC001232846887 912552604 /nfs/dbraw/zinc/55/26/04/912552604.db2.gz MBIOSQLXUKTIRB-UHFFFAOYSA-N 1 2 285.376 1.732 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2c3c[nH]nc3CC[C@H]2C)C1 ZINC001030697075 912566950 /nfs/dbraw/zinc/56/69/50/912566950.db2.gz IOZHJTDIHPRODY-ABAIWWIYSA-N 1 2 288.395 1.452 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccon1 ZINC001089140220 912696539 /nfs/dbraw/zinc/69/65/39/912696539.db2.gz ZLGDOTOWDCMPHU-OCCSQVGLSA-N 1 2 290.367 1.647 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ccon1 ZINC001089140220 912696544 /nfs/dbraw/zinc/69/65/44/912696544.db2.gz ZLGDOTOWDCMPHU-OCCSQVGLSA-N 1 2 290.367 1.647 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc[nH]c2CCC)C1 ZINC001030819185 912800406 /nfs/dbraw/zinc/80/04/06/912800406.db2.gz WTSLUUPKFDVGMX-UHFFFAOYSA-N 1 2 261.369 1.957 20 30 CDEDLO C#Cc1cncc(C(=O)NC2C[NH+](CC3=CCCCC3)C2)c1 ZINC001030928398 913146723 /nfs/dbraw/zinc/14/67/23/913146723.db2.gz QSFSMCCCUNQENA-UHFFFAOYSA-N 1 2 295.386 1.977 20 30 CDEDLO C#Cc1cncc(C(=O)NC2C[NH+](C[C@H]3CCCCO3)C2)c1 ZINC001030928316 913147662 /nfs/dbraw/zinc/14/76/62/913147662.db2.gz NHZUVAYKVRZJLA-MRXNPFEDSA-N 1 2 299.374 1.046 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccn(C)c2CC)C1 ZINC001030957616 913284181 /nfs/dbraw/zinc/28/41/81/913284181.db2.gz MKTPLARQSDSSQU-UHFFFAOYSA-N 1 2 261.369 1.578 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc[nH]n2)C1=O ZINC001272538208 913394393 /nfs/dbraw/zinc/39/43/93/913394393.db2.gz ONVDDGJNMCYDIL-AWEZNQCLSA-N 1 2 260.341 1.163 20 30 CDEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cc[nH]n2)C1=O ZINC001272538208 913394407 /nfs/dbraw/zinc/39/44/07/913394407.db2.gz ONVDDGJNMCYDIL-AWEZNQCLSA-N 1 2 260.341 1.163 20 30 CDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](CC)C1 ZINC001031077110 913563337 /nfs/dbraw/zinc/56/33/37/913563337.db2.gz GPZRJAIQAAJEHJ-STQMWFEESA-N 1 2 252.358 1.178 20 30 CDEDLO Cc1nc(NCC[C@H](C)NC(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001106277711 913778260 /nfs/dbraw/zinc/77/82/60/913778260.db2.gz KIBJOJHSAIVPOT-JTQLQIEISA-N 1 2 298.350 1.605 20 30 CDEDLO Cc1ncc(C#N)c(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC001167123654 894648008 /nfs/dbraw/zinc/64/80/08/894648008.db2.gz FZYQHYPLLLFGJP-UHFFFAOYSA-N 1 2 268.324 1.695 20 30 CDEDLO COc1ccc(O)c(/C=N\CC[NH+]2CCOCC2)c1 ZINC000255059689 895096669 /nfs/dbraw/zinc/09/66/69/895096669.db2.gz ZBBZYDAVDZYXLL-PTNGSMBKSA-N 1 2 264.325 1.152 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NCC[NH2+]Cc2ncc(C3CC3)o2)c1 ZINC001125390941 895237375 /nfs/dbraw/zinc/23/73/75/895237375.db2.gz KHAZHSICIDTNRZ-UHFFFAOYSA-N 1 2 299.334 1.271 20 30 CDEDLO COc1cc[nH+]cc1Nc1c(C#N)cnc2ccnn21 ZINC001176117997 913967352 /nfs/dbraw/zinc/96/73/52/913967352.db2.gz GISADMWSUWYOPU-UHFFFAOYSA-N 1 2 266.264 1.748 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccon1)C1CC1 ZINC001266583812 895460305 /nfs/dbraw/zinc/46/03/05/895460305.db2.gz LBJFOUXQSMARDQ-UHFFFAOYSA-N 1 2 269.732 1.621 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccon1)C1CC1 ZINC001266583812 895460316 /nfs/dbraw/zinc/46/03/16/895460316.db2.gz LBJFOUXQSMARDQ-UHFFFAOYSA-N 1 2 269.732 1.621 20 30 CDEDLO O=C(C#Cc1ccccc1)OCCCn1cc[nH+]c1 ZINC000782303455 896498293 /nfs/dbraw/zinc/49/82/93/896498293.db2.gz ZMZTUDZISCOJIV-UHFFFAOYSA-N 1 2 254.289 1.868 20 30 CDEDLO C#CC1CC[NH+](Cc2nc(C(=O)OCC)no2)CC1 ZINC000692368342 896778952 /nfs/dbraw/zinc/77/89/52/896778952.db2.gz QDMNRKWSFCMVQS-UHFFFAOYSA-N 1 2 263.297 1.092 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2cnc(C)s2)CC1 ZINC000255526978 896987241 /nfs/dbraw/zinc/98/72/41/896987241.db2.gz LLRVIMSBCHNJKW-PLNGDYQASA-N 1 2 275.377 1.242 20 30 CDEDLO COc1cccc(COC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000122785215 897184135 /nfs/dbraw/zinc/18/41/35/897184135.db2.gz RLTFIPKEGIXQDL-AWEZNQCLSA-N 1 2 278.352 1.418 20 30 CDEDLO COc1cccc(COC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000122785215 897184145 /nfs/dbraw/zinc/18/41/45/897184145.db2.gz RLTFIPKEGIXQDL-AWEZNQCLSA-N 1 2 278.352 1.418 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1-c1ccc(F)c(C#N)c1 ZINC001176611858 914188075 /nfs/dbraw/zinc/18/80/75/914188075.db2.gz XODDHRSAISSLAY-UHFFFAOYSA-N 1 2 274.255 1.642 20 30 CDEDLO C#Cc1cc(Nc2ccc(S(C)(=O)=O)c(F)c2)cc[nH+]1 ZINC001176737612 914236311 /nfs/dbraw/zinc/23/63/11/914236311.db2.gz FVKSDOPQMFBXSS-UHFFFAOYSA-N 1 2 290.319 1.771 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ncc[nH]2)[C@@H]1C ZINC000993342375 914254097 /nfs/dbraw/zinc/25/40/97/914254097.db2.gz IGARRARJIMIVEB-WDEREUQCSA-N 1 2 282.775 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ncc[nH]2)[C@@H]1C ZINC000993342375 914254112 /nfs/dbraw/zinc/25/41/12/914254112.db2.gz IGARRARJIMIVEB-WDEREUQCSA-N 1 2 282.775 1.745 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C ZINC001025659879 899137162 /nfs/dbraw/zinc/13/71/62/899137162.db2.gz GBBUGACBMHHCBC-BGOACCFOSA-N 1 2 299.212 1.597 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C ZINC001025659879 899137170 /nfs/dbraw/zinc/13/71/70/899137170.db2.gz GBBUGACBMHHCBC-BGOACCFOSA-N 1 2 299.212 1.597 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(-c3ncon3)cc2)C1 ZINC001031274854 914323126 /nfs/dbraw/zinc/32/31/26/914323126.db2.gz ZCQDYXZRAZDUPQ-UHFFFAOYSA-N 1 2 296.330 1.174 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)COCCC)C[C@H]21 ZINC001176936295 914369720 /nfs/dbraw/zinc/36/97/20/914369720.db2.gz GTXBLKWPVXSCQP-HUUCEWRRSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)COCCC)C[C@H]21 ZINC001176936295 914369739 /nfs/dbraw/zinc/36/97/39/914369739.db2.gz GTXBLKWPVXSCQP-HUUCEWRRSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCSC)C[C@@H]21 ZINC001176906254 914384408 /nfs/dbraw/zinc/38/44/08/914384408.db2.gz GWSMWIMMDCPKJP-KBPBESRZSA-N 1 2 298.452 1.617 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCSC)C[C@@H]21 ZINC001176906254 914384421 /nfs/dbraw/zinc/38/44/21/914384421.db2.gz GWSMWIMMDCPKJP-KBPBESRZSA-N 1 2 298.452 1.617 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cc2C)C1 ZINC001015680863 914389511 /nfs/dbraw/zinc/38/95/11/914389511.db2.gz LNGPGTYQJSJIOX-LLVKDONJSA-N 1 2 295.770 1.652 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cc2C)C1 ZINC001015680863 914389525 /nfs/dbraw/zinc/38/95/25/914389525.db2.gz LNGPGTYQJSJIOX-LLVKDONJSA-N 1 2 295.770 1.652 20 30 CDEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027407082 900478522 /nfs/dbraw/zinc/47/85/22/900478522.db2.gz ZTNXWUKQYSVVQM-OAHLLOKOSA-N 1 2 298.390 1.313 20 30 CDEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027407082 900478528 /nfs/dbraw/zinc/47/85/28/900478528.db2.gz ZTNXWUKQYSVVQM-OAHLLOKOSA-N 1 2 298.390 1.313 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H](N(C)CC#N)C1 ZINC001027611963 900665515 /nfs/dbraw/zinc/66/55/15/900665515.db2.gz YTPYLUGQXDZFNR-TZMCWYRMSA-N 1 2 289.383 1.035 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](N(C)CC#N)C1 ZINC001027611963 900665524 /nfs/dbraw/zinc/66/55/24/900665524.db2.gz YTPYLUGQXDZFNR-TZMCWYRMSA-N 1 2 289.383 1.035 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc2nc[nH]c21 ZINC001028220271 901667563 /nfs/dbraw/zinc/66/75/63/901667563.db2.gz SOBGXVNJRPHRGK-LBPRGKRZSA-N 1 2 282.347 1.390 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc2nc[nH]c21 ZINC001028220271 901667580 /nfs/dbraw/zinc/66/75/80/901667580.db2.gz SOBGXVNJRPHRGK-LBPRGKRZSA-N 1 2 282.347 1.390 20 30 CDEDLO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1n[nH]c2ccccc21 ZINC001038982395 901948232 /nfs/dbraw/zinc/94/82/32/901948232.db2.gz MPQXCGJINQFGNV-LBPRGKRZSA-N 1 2 284.363 1.943 20 30 CDEDLO C=CCC[N@H+]1CC[C@H]1CNC(=O)c1n[nH]c2ccccc21 ZINC001038982395 901948234 /nfs/dbraw/zinc/94/82/34/901948234.db2.gz MPQXCGJINQFGNV-LBPRGKRZSA-N 1 2 284.363 1.943 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2[nH]nnc2c1 ZINC001028311861 902209982 /nfs/dbraw/zinc/20/99/82/902209982.db2.gz WXIWFVWYLVWWPN-ZDUSSCGKSA-N 1 2 297.362 1.175 20 30 CDEDLO CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2[nH]nnc2c1 ZINC001028311861 902209997 /nfs/dbraw/zinc/20/99/97/902209997.db2.gz WXIWFVWYLVWWPN-ZDUSSCGKSA-N 1 2 297.362 1.175 20 30 CDEDLO Cc1[nH]c(NC(=O)CN(C)c2cccc[nH+]2)c(C#N)c1C ZINC001177409135 914668974 /nfs/dbraw/zinc/66/89/74/914668974.db2.gz RJFDQRNFBHJJNJ-UHFFFAOYSA-N 1 2 283.335 1.973 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N(C)CCN(C)c1cc[nH+]c(C)n1 ZINC001105379741 904509530 /nfs/dbraw/zinc/50/95/30/904509530.db2.gz JKGCGNRLBMOLFG-OAHLLOKOSA-N 1 2 292.383 1.007 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2cscc2Cl)CCCN1O ZINC000895163618 905594581 /nfs/dbraw/zinc/59/45/81/905594581.db2.gz WRUMXICPUMIKBB-SECBINFHSA-N 1 2 260.746 1.871 20 30 CDEDLO CC[N@@H+]1CCn2ncc(CNC(=O)C#CC(C)(C)C)c2C1 ZINC001128351078 921278312 /nfs/dbraw/zinc/27/83/12/921278312.db2.gz SEIOQRCDTNMOKC-UHFFFAOYSA-N 1 2 288.395 1.384 20 30 CDEDLO CC[N@H+]1CCn2ncc(CNC(=O)C#CC(C)(C)C)c2C1 ZINC001128351078 921278318 /nfs/dbraw/zinc/27/83/18/921278318.db2.gz SEIOQRCDTNMOKC-UHFFFAOYSA-N 1 2 288.395 1.384 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001128409003 921296831 /nfs/dbraw/zinc/29/68/31/921296831.db2.gz PAUWINMZUIUQQN-UHFFFAOYSA-N 1 2 278.356 1.509 20 30 CDEDLO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CCO1 ZINC001168120108 907232326 /nfs/dbraw/zinc/23/23/26/907232326.db2.gz VBIBMFKQCCERAR-USWWRNFRSA-N 1 2 253.367 1.828 20 30 CDEDLO C[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3SC(=O)C=C3C2)CCO1 ZINC001168120108 907232340 /nfs/dbraw/zinc/23/23/40/907232340.db2.gz VBIBMFKQCCERAR-USWWRNFRSA-N 1 2 253.367 1.828 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)n(C)n2)[C@H]1C ZINC001088485249 907449866 /nfs/dbraw/zinc/44/98/66/907449866.db2.gz ZTQRMODYZOFVTD-NEPJUHHUSA-N 1 2 296.802 1.674 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)n(C)n2)[C@H]1C ZINC001088485249 907449870 /nfs/dbraw/zinc/44/98/70/907449870.db2.gz ZTQRMODYZOFVTD-NEPJUHHUSA-N 1 2 296.802 1.674 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)ncn2)[C@H]1C ZINC001088528722 907609717 /nfs/dbraw/zinc/60/97/17/907609717.db2.gz MUDBIFZNQXZNMA-NEPJUHHUSA-N 1 2 294.786 1.730 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)ncn2)[C@H]1C ZINC001088528722 907609721 /nfs/dbraw/zinc/60/97/21/907609721.db2.gz MUDBIFZNQXZNMA-NEPJUHHUSA-N 1 2 294.786 1.730 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(OC)no2)C1 ZINC001189317815 921427418 /nfs/dbraw/zinc/42/74/18/921427418.db2.gz FURKCCLJCVTSFX-LBPRGKRZSA-N 1 2 293.367 1.682 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)Cc2cc(OC)no2)C1 ZINC001189317815 921427429 /nfs/dbraw/zinc/42/74/29/921427429.db2.gz FURKCCLJCVTSFX-LBPRGKRZSA-N 1 2 293.367 1.682 20 30 CDEDLO C=CC[N@H+]1CCCN(C(=O)c2cnc(COC)s2)CC1 ZINC000989804982 909004500 /nfs/dbraw/zinc/00/45/00/909004500.db2.gz ZVJFDARCJAOOKA-UHFFFAOYSA-N 1 2 295.408 1.623 20 30 CDEDLO C=CC[N@@H+]1CCCN(C(=O)c2cnc(COC)s2)CC1 ZINC000989804982 909004516 /nfs/dbraw/zinc/00/45/16/909004516.db2.gz ZVJFDARCJAOOKA-UHFFFAOYSA-N 1 2 295.408 1.623 20 30 CDEDLO CC#CC[NH+]1CCC(NC(=O)c2cccc3nc[nH]c32)CC1 ZINC001003831682 921468308 /nfs/dbraw/zinc/46/83/08/921468308.db2.gz LCKLRNLZXHKXST-UHFFFAOYSA-N 1 2 296.374 1.780 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2nnn(C)c2C)C1 ZINC001032969788 921529722 /nfs/dbraw/zinc/52/97/22/921529722.db2.gz HOKZVYGKPWDQNP-LLVKDONJSA-N 1 2 297.790 1.022 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2nnn(C)c2C)C1 ZINC001032969788 921529732 /nfs/dbraw/zinc/52/97/32/921529732.db2.gz HOKZVYGKPWDQNP-LLVKDONJSA-N 1 2 297.790 1.022 20 30 CDEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H](C)OC)CC2)C1 ZINC001093512916 909887910 /nfs/dbraw/zinc/88/79/10/909887910.db2.gz ZVHKYCNCYHQEBP-ZDUSSCGKSA-N 1 2 296.411 1.289 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCCC#N)C1 ZINC000360465092 921543437 /nfs/dbraw/zinc/54/34/37/921543437.db2.gz CVQUABBYBNIRQM-GFCCVEGCSA-N 1 2 260.341 1.820 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001077186851 910208388 /nfs/dbraw/zinc/20/83/88/910208388.db2.gz QZVPDEMIRMDZRB-LBPRGKRZSA-N 1 2 292.383 1.106 20 30 CDEDLO C=CCCCC(=O)NCCNc1[nH+]cnc2c1cnn2C ZINC001094077072 910312963 /nfs/dbraw/zinc/31/29/63/910312963.db2.gz DFLFQHMZNRQYEH-UHFFFAOYSA-N 1 2 288.355 1.248 20 30 CDEDLO C#CCN1CC[C@]2(CCN(c3cc[nH+]c(OC)c3)C2)C1=O ZINC001273585554 921599818 /nfs/dbraw/zinc/59/98/18/921599818.db2.gz QZKCVGXZSCBCGV-MRXNPFEDSA-N 1 2 285.347 1.152 20 30 CDEDLO Cc1nc(NC[C@@H]2CCCCN2C(=O)[C@H](C)C#N)cc[nH+]1 ZINC001060223190 911161177 /nfs/dbraw/zinc/16/11/77/911161177.db2.gz PFRUBKATIGYPMO-YPMHNXCESA-N 1 2 287.367 1.738 20 30 CDEDLO C#CC[C@H]([NH2+][C@H](C)CCO[C@@H](C)CC)C(=O)OC ZINC001172327551 911591017 /nfs/dbraw/zinc/59/10/17/911591017.db2.gz DMHGXFPKAGNVCW-AGIUHOORSA-N 1 2 255.358 1.735 20 30 CDEDLO C=CC[C@@H]([NH2+][C@H]1CCC[C@@H](C(=O)OC)C1)C(=O)OC ZINC001172598264 911766272 /nfs/dbraw/zinc/76/62/72/911766272.db2.gz BQXJODDMNFONTM-GRYCIOLGSA-N 1 2 269.341 1.426 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccnn2C(CC)CC)C1 ZINC001030438271 911830959 /nfs/dbraw/zinc/83/09/59/911830959.db2.gz BZSSWCPSDMDSDS-UHFFFAOYSA-N 1 2 288.395 1.682 20 30 CDEDLO C=CCn1cccc1C(=O)NC1C[NH+]([C@H](C)COC)C1 ZINC001030447561 911847445 /nfs/dbraw/zinc/84/74/45/911847445.db2.gz BTSQWUNNLXTKMJ-GFCCVEGCSA-N 1 2 277.368 1.123 20 30 CDEDLO CCCC[N@H+](CC#N)C1CCN(C(=O)OC)CC1 ZINC001172741240 911889635 /nfs/dbraw/zinc/88/96/35/911889635.db2.gz VFZKNMXBOPWJAT-UHFFFAOYSA-N 1 2 253.346 1.843 20 30 CDEDLO CCCC[N@@H+](CC#N)C1CCN(C(=O)OC)CC1 ZINC001172741240 911889648 /nfs/dbraw/zinc/88/96/48/911889648.db2.gz VFZKNMXBOPWJAT-UHFFFAOYSA-N 1 2 253.346 1.843 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c[nH]nc2-c2ccncc2)C1 ZINC001030605509 912125549 /nfs/dbraw/zinc/12/55/49/912125549.db2.gz WACZWBYKYXTJCN-UHFFFAOYSA-N 1 2 297.362 1.462 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3cccnc32)C1 ZINC001030622498 912185070 /nfs/dbraw/zinc/18/50/70/912185070.db2.gz BGKWVLXBSAXDBX-UHFFFAOYSA-N 1 2 279.343 1.672 20 30 CDEDLO N=C(c1ccccc1N)N(O)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178117929 915181721 /nfs/dbraw/zinc/18/17/21/915181721.db2.gz LJJQNAWIIXVHTJ-JTQLQIEISA-N 1 2 299.334 1.271 20 30 CDEDLO CC#CC[NH2+][C@H]1C[C@H](NC(=O)c2[nH]ncc2F)C12CCC2 ZINC001203356880 915488951 /nfs/dbraw/zinc/48/89/51/915488951.db2.gz CDSMTKNLOQZTPP-RYUDHWBXSA-N 1 2 290.342 1.203 20 30 CDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccccn2)CC1 ZINC001004334029 921778828 /nfs/dbraw/zinc/77/88/28/921778828.db2.gz KFPWJNGFMHDQET-INIZCTEOSA-N 1 2 298.390 1.922 20 30 CDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccccn2)CC1 ZINC001004334029 921778849 /nfs/dbraw/zinc/77/88/49/921778849.db2.gz KFPWJNGFMHDQET-INIZCTEOSA-N 1 2 298.390 1.922 20 30 CDEDLO CC(C)C#CC(=O)N1CC[C@H]([NH2+]Cc2cnsn2)[C@@H]1C ZINC001178648945 915543570 /nfs/dbraw/zinc/54/35/70/915543570.db2.gz QTECYCTZMTWYGO-AAEUAGOBSA-N 1 2 292.408 1.277 20 30 CDEDLO CC#CC[NH2+][C@H]1CCN(C(=O)C(F)C(F)(F)F)[C@H]1C ZINC001178747454 915611823 /nfs/dbraw/zinc/61/18/23/915611823.db2.gz XJTAAKPWMSDINL-LPEHRKFASA-N 1 2 280.265 1.489 20 30 CDEDLO CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)[C@H]1C ZINC001178747454 915611835 /nfs/dbraw/zinc/61/18/35/915611835.db2.gz XJTAAKPWMSDINL-LPEHRKFASA-N 1 2 280.265 1.489 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000381853075 935778665 /nfs/dbraw/zinc/77/86/65/935778665.db2.gz RITDTEIEIVDODI-DTORHVGOSA-N 1 2 250.136 1.241 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000381853075 935778667 /nfs/dbraw/zinc/77/86/67/935778667.db2.gz RITDTEIEIVDODI-DTORHVGOSA-N 1 2 250.136 1.241 20 30 CDEDLO CCON=C(N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181839730 916769770 /nfs/dbraw/zinc/76/97/70/916769770.db2.gz OTYBWDZNGYROLZ-CYBMUJFWSA-N 1 2 263.341 1.196 20 30 CDEDLO CCON=C(N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181839730 916769775 /nfs/dbraw/zinc/76/97/75/916769775.db2.gz OTYBWDZNGYROLZ-CYBMUJFWSA-N 1 2 263.341 1.196 20 30 CDEDLO N#Cc1cccc2c1CC[C@H]2NC(=O)Cc1cc[nH+]c(N)c1 ZINC001181280360 916961686 /nfs/dbraw/zinc/96/16/86/916961686.db2.gz YQQHPLNHGOHKEL-OAHLLOKOSA-N 1 2 292.342 1.882 20 30 CDEDLO COc1ccc(C[NH+]2CC3(C2)CCOC3)c(C#N)c1 ZINC001137698134 936391504 /nfs/dbraw/zinc/39/15/04/936391504.db2.gz LHPPKMJXEOBVOJ-UHFFFAOYSA-N 1 2 258.321 1.789 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001181535034 917131344 /nfs/dbraw/zinc/13/13/44/917131344.db2.gz LPCGPELRHCSBLO-SNVBAGLBSA-N 1 2 266.370 1.195 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CC(F)(F)F)CCO2 ZINC001053179924 936409452 /nfs/dbraw/zinc/40/94/52/936409452.db2.gz MCHGZTQWOYJVCN-UHFFFAOYSA-N 1 2 292.301 1.428 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1coc(C)n1)CCO2 ZINC001053232716 936411267 /nfs/dbraw/zinc/41/12/67/936411267.db2.gz XJFFLDNODGNRST-UHFFFAOYSA-N 1 2 291.351 1.086 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCOC3(C[NH+](CC)C3)C2)cc1 ZINC001053369937 936411786 /nfs/dbraw/zinc/41/17/86/936411786.db2.gz OIIBSBVMWLUONO-UHFFFAOYSA-N 1 2 284.359 1.215 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CCCC1)CO2 ZINC001053715877 936417534 /nfs/dbraw/zinc/41/75/34/936417534.db2.gz HKABLUPDGXASCF-CQSZACIVSA-N 1 2 276.380 1.159 20 30 CDEDLO C=CCCC(=O)N[C@@H](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001077572204 917312114 /nfs/dbraw/zinc/31/21/14/917312114.db2.gz KLTDVQKCWAXDIM-ZDUSSCGKSA-N 1 2 292.383 1.250 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccsc1)O2 ZINC001053566013 936415224 /nfs/dbraw/zinc/41/52/24/936415224.db2.gz HFXZAFGCNQBMBQ-ZDUSSCGKSA-N 1 2 292.404 1.897 20 30 CDEDLO C=C(C)C[N@H+](C)CN1C(=O)C(=O)N(C2CCCC2)C1=O ZINC000182630993 917339148 /nfs/dbraw/zinc/33/91/48/917339148.db2.gz JQIADISRSTYDDI-UHFFFAOYSA-N 1 2 279.340 1.185 20 30 CDEDLO C=C(C)C[N@@H+](C)CN1C(=O)C(=O)N(C2CCCC2)C1=O ZINC000182630993 917339159 /nfs/dbraw/zinc/33/91/59/917339159.db2.gz JQIADISRSTYDDI-UHFFFAOYSA-N 1 2 279.340 1.185 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@]1(C)C=CCC1)CO2 ZINC001053895338 936422424 /nfs/dbraw/zinc/42/24/24/936422424.db2.gz DSLMBQQJSHEXSH-HOCLYGCPSA-N 1 2 290.407 1.878 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)CC1CCCC1)CO2 ZINC001053726407 936418053 /nfs/dbraw/zinc/41/80/53/936418053.db2.gz GSUIZGHZTIJHDD-HNNXBMFYSA-N 1 2 290.407 1.550 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1occc1C)CO2 ZINC001053740252 936419656 /nfs/dbraw/zinc/41/96/56/936419656.db2.gz FWZIKIFGQLRSRG-CYBMUJFWSA-N 1 2 290.363 1.737 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C=C1CCC1)CO2 ZINC001053775142 936420568 /nfs/dbraw/zinc/42/05/68/936420568.db2.gz QVGJFOJSELRGKY-AWEZNQCLSA-N 1 2 274.364 1.080 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccns1)CO2 ZINC001053820545 936421572 /nfs/dbraw/zinc/42/15/72/936421572.db2.gz FIRKYBGSMZIUFK-NSHDSACASA-N 1 2 293.392 1.292 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000829998305 936441112 /nfs/dbraw/zinc/44/11/12/936441112.db2.gz KTPBNQYWDQDWQF-ZDUSSCGKSA-N 1 2 279.271 1.584 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000829998305 936441113 /nfs/dbraw/zinc/44/11/13/936441113.db2.gz KTPBNQYWDQDWQF-ZDUSSCGKSA-N 1 2 279.271 1.584 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc(Cl)n1 ZINC000830007154 936441882 /nfs/dbraw/zinc/44/18/82/936441882.db2.gz SVVRTMGJSPVCLQ-ZDUSSCGKSA-N 1 2 265.744 1.894 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@@](O)(CC#N)C2)cc(Cl)n1 ZINC000830007154 936441884 /nfs/dbraw/zinc/44/18/84/936441884.db2.gz SVVRTMGJSPVCLQ-ZDUSSCGKSA-N 1 2 265.744 1.894 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2C[C@H]2C(F)(F)F)CC1 ZINC001182324733 917780054 /nfs/dbraw/zinc/78/00/54/917780054.db2.gz QFOBXPFMCPLWBX-VHSXEESVSA-N 1 2 262.275 1.515 20 30 CDEDLO Cc1n[nH]c(C(=O)NCC[NH2+]Cc2ccc(C#N)cc2)c1C ZINC001125039510 917901503 /nfs/dbraw/zinc/90/15/03/917901503.db2.gz JGVJBIXZGWZTGN-UHFFFAOYSA-N 1 2 297.362 1.418 20 30 CDEDLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032237692 918054613 /nfs/dbraw/zinc/05/46/13/918054613.db2.gz POEFFZZCFRPHSG-HOTGVXAUSA-N 1 2 268.360 1.733 20 30 CDEDLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032237692 918054627 /nfs/dbraw/zinc/05/46/27/918054627.db2.gz POEFFZZCFRPHSG-HOTGVXAUSA-N 1 2 268.360 1.733 20 30 CDEDLO C[C@H](C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1)c1ccc(C#N)cc1 ZINC001182801403 918136545 /nfs/dbraw/zinc/13/65/45/918136545.db2.gz ZNDCJQLYLGFYQU-XHDPSFHLSA-N 1 2 298.346 1.105 20 30 CDEDLO C[C@H](C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1)c1ccc(C#N)cc1 ZINC001182801403 918136551 /nfs/dbraw/zinc/13/65/51/918136551.db2.gz ZNDCJQLYLGFYQU-XHDPSFHLSA-N 1 2 298.346 1.105 20 30 CDEDLO C[C@@H](C(=O)NCCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC001182788717 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HQZILARISGGJHJ-CABCVRRESA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3(CC)CC3)C[C@H]21 ZINC001074331464 936736260 /nfs/dbraw/zinc/73/62/60/936736260.db2.gz HQZILARISGGJHJ-CABCVRRESA-N 1 2 290.407 1.502 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](N(CC)C(=O)c2cnc(C)[nH]2)C1 ZINC001033769006 922363035 /nfs/dbraw/zinc/36/30/35/922363035.db2.gz DETCJUBTICITFW-ZDUSSCGKSA-N 1 2 274.368 1.278 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cnc(C)[nH]2)C1 ZINC001033769006 922363049 /nfs/dbraw/zinc/36/30/49/922363049.db2.gz DETCJUBTICITFW-ZDUSSCGKSA-N 1 2 274.368 1.278 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ncn(C)n2)C1 ZINC001033816920 922383254 /nfs/dbraw/zinc/38/32/54/922383254.db2.gz MSKNVDYIPMPTKJ-NSHDSACASA-N 1 2 297.790 1.104 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ncn(C)n2)C1 ZINC001033816920 922383265 /nfs/dbraw/zinc/38/32/65/922383265.db2.gz MSKNVDYIPMPTKJ-NSHDSACASA-N 1 2 297.790 1.104 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2sc3nccn3c2C)C1 ZINC001014763952 922395232 /nfs/dbraw/zinc/39/52/32/922395232.db2.gz HJZPMONJVFRASF-NSHDSACASA-N 1 2 288.376 1.142 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2sc3nccn3c2C)C1 ZINC001014763952 922395243 /nfs/dbraw/zinc/39/52/43/922395243.db2.gz HJZPMONJVFRASF-NSHDSACASA-N 1 2 288.376 1.142 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001034198021 922537843 /nfs/dbraw/zinc/53/78/43/922537843.db2.gz PNQBWQJLWSSXTI-LLVKDONJSA-N 1 2 282.775 1.747 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001034198021 922537858 /nfs/dbraw/zinc/53/78/58/922537858.db2.gz PNQBWQJLWSSXTI-LLVKDONJSA-N 1 2 282.775 1.747 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@]2(C)C=CCC2)C1 ZINC001108138565 922728693 /nfs/dbraw/zinc/72/86/93/922728693.db2.gz PWXVAHZBGBXATR-DLBZAZTESA-N 1 2 290.407 1.573 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@]2(C)C=CCC2)C1 ZINC001108138565 922728701 /nfs/dbraw/zinc/72/87/01/922728701.db2.gz PWXVAHZBGBXATR-DLBZAZTESA-N 1 2 290.407 1.573 20 30 CDEDLO C#CCOCCNC(=O)NCc1c[nH+]c(C)cc1C ZINC000836393735 936780811 /nfs/dbraw/zinc/78/08/11/936780811.db2.gz HTCGGUCKJLRXCJ-UHFFFAOYSA-N 1 2 261.325 1.147 20 30 CDEDLO C#CCOCCC(=O)NCC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001099515824 936790283 /nfs/dbraw/zinc/79/02/83/936790283.db2.gz KBVSZCBDCGICDB-LBPRGKRZSA-N 1 2 290.367 1.132 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(Cl)o2)C1 ZINC001035291512 922948769 /nfs/dbraw/zinc/94/87/69/922948769.db2.gz UIRQAUFLMBQCSU-LLVKDONJSA-N 1 2 296.754 1.387 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccc(Cl)o2)C1 ZINC001035291512 922948776 /nfs/dbraw/zinc/94/87/76/922948776.db2.gz UIRQAUFLMBQCSU-LLVKDONJSA-N 1 2 296.754 1.387 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2O)C1 ZINC001035292235 922952329 /nfs/dbraw/zinc/95/23/29/922952329.db2.gz BKHOBTNTGGFMAE-GFCCVEGCSA-N 1 2 276.336 1.009 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccccc2O)C1 ZINC001035292235 922952339 /nfs/dbraw/zinc/95/23/39/922952339.db2.gz BKHOBTNTGGFMAE-GFCCVEGCSA-N 1 2 276.336 1.009 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccoc2Cl)C1 ZINC001035349198 922967969 /nfs/dbraw/zinc/96/79/69/922967969.db2.gz FOJUXOJUPANEPT-LLVKDONJSA-N 1 2 296.754 1.387 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccoc2Cl)C1 ZINC001035349198 922967983 /nfs/dbraw/zinc/96/79/83/922967983.db2.gz FOJUXOJUPANEPT-LLVKDONJSA-N 1 2 296.754 1.387 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001035393764 922983627 /nfs/dbraw/zinc/98/36/27/922983627.db2.gz FMBTYLNNAUYSMG-NEPJUHHUSA-N 1 2 288.338 1.425 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001035393764 922983636 /nfs/dbraw/zinc/98/36/36/922983636.db2.gz FMBTYLNNAUYSMG-NEPJUHHUSA-N 1 2 288.338 1.425 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)sc2C)C1 ZINC001035430616 922985256 /nfs/dbraw/zinc/98/52/56/922985256.db2.gz IKCPZBDTKGHBDW-ZDUSSCGKSA-N 1 2 294.420 1.982 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)sc2C)C1 ZINC001035430616 922985259 /nfs/dbraw/zinc/98/52/59/922985259.db2.gz IKCPZBDTKGHBDW-ZDUSSCGKSA-N 1 2 294.420 1.982 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CC=C)CCO2)cc1 ZINC001035469298 922990331 /nfs/dbraw/zinc/99/03/31/922990331.db2.gz DVKYOAFPRZIJBU-MRXNPFEDSA-N 1 2 284.359 1.285 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC=C)CCO2)cc1 ZINC001035469298 922990342 /nfs/dbraw/zinc/99/03/42/922990342.db2.gz DVKYOAFPRZIJBU-MRXNPFEDSA-N 1 2 284.359 1.285 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001035580576 923010377 /nfs/dbraw/zinc/01/03/77/923010377.db2.gz OEVDZRTWGPZTGY-RBSFLKMASA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001035580576 923010386 /nfs/dbraw/zinc/01/03/86/923010386.db2.gz OEVDZRTWGPZTGY-RBSFLKMASA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2Cl)C1 ZINC001035592588 923012407 /nfs/dbraw/zinc/01/24/07/923012407.db2.gz QJNGLDVDJDUYLA-LBPRGKRZSA-N 1 2 294.782 1.957 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2Cl)C1 ZINC001035592588 923012418 /nfs/dbraw/zinc/01/24/18/923012418.db2.gz QJNGLDVDJDUYLA-LBPRGKRZSA-N 1 2 294.782 1.957 20 30 CDEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)COC)CC2 ZINC001035624488 923012584 /nfs/dbraw/zinc/01/25/84/923012584.db2.gz CXVYLWMJHKMTFL-UHFFFAOYSA-N 1 2 272.776 1.310 20 30 CDEDLO C=CCC(F)(F)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000836869725 936807961 /nfs/dbraw/zinc/80/79/61/936807961.db2.gz RNHOMNOPNDKDMC-PHIMTYICSA-N 1 2 276.327 1.111 20 30 CDEDLO C=CCC(F)(F)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000836869725 936807963 /nfs/dbraw/zinc/80/79/63/936807963.db2.gz RNHOMNOPNDKDMC-PHIMTYICSA-N 1 2 276.327 1.111 20 30 CDEDLO C[C@@]1(CO)C[N@H+](Cc2ccc(F)cc2C#N)CC[C@@H]1O ZINC001141164346 936823728 /nfs/dbraw/zinc/82/37/28/936823728.db2.gz YTYFOHQKKMMQLM-GJZGRUSLSA-N 1 2 278.327 1.263 20 30 CDEDLO C[C@@]1(CO)C[N@@H+](Cc2ccc(F)cc2C#N)CC[C@@H]1O ZINC001141164346 936823730 /nfs/dbraw/zinc/82/37/30/936823730.db2.gz YTYFOHQKKMMQLM-GJZGRUSLSA-N 1 2 278.327 1.263 20 30 CDEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C#CC1CC1 ZINC000837358988 936839589 /nfs/dbraw/zinc/83/95/89/936839589.db2.gz FFVTWJIMXYFYIN-CYBMUJFWSA-N 1 2 259.353 1.827 20 30 CDEDLO O=C(C#CC1CC1)NCC[NH+]1Cc2ccccc2C1 ZINC000837365303 936839692 /nfs/dbraw/zinc/83/96/92/936839692.db2.gz OZYCMQLOYYVRMW-UHFFFAOYSA-N 1 2 254.333 1.532 20 30 CDEDLO C=CCNc1nc(C(=O)OCCc2c[nH+]cn2C)cs1 ZINC000837373939 936840156 /nfs/dbraw/zinc/84/01/56/936840156.db2.gz RZTQVRARGPMFSH-UHFFFAOYSA-N 1 2 292.364 1.874 20 30 CDEDLO Cn1c[nH+]cc1CCOC(=O)CNc1ccc(C#N)cc1 ZINC000837459915 936843530 /nfs/dbraw/zinc/84/35/30/936843530.db2.gz TWGGTDVOZLHRBT-UHFFFAOYSA-N 1 2 284.319 1.490 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1O ZINC001193400087 923658633 /nfs/dbraw/zinc/65/86/33/923658633.db2.gz IQVJJAAPZOJOSS-ZIAGYGMSSA-N 1 2 293.367 1.001 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1O ZINC001193400087 923658642 /nfs/dbraw/zinc/65/86/42/923658642.db2.gz IQVJJAAPZOJOSS-ZIAGYGMSSA-N 1 2 293.367 1.001 20 30 CDEDLO C#CCO[C@@H](C)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000837852343 936858888 /nfs/dbraw/zinc/85/88/88/936858888.db2.gz PLFFDZLKTTYYHC-ZDUSSCGKSA-N 1 2 284.315 1.954 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CCC(F)CC2)C1 ZINC001108189435 924089442 /nfs/dbraw/zinc/08/94/42/924089442.db2.gz BQBXLFWGYMDYMH-XUJLQICISA-N 1 2 298.402 1.908 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CCC(F)CC2)C1 ZINC001108189435 924089450 /nfs/dbraw/zinc/08/94/50/924089450.db2.gz BQBXLFWGYMDYMH-XUJLQICISA-N 1 2 298.402 1.908 20 30 CDEDLO C#Cc1ccc(C[NH+]2CC3(C2)COCC(=O)N3CC=C)cc1 ZINC001273671856 924100107 /nfs/dbraw/zinc/10/01/07/924100107.db2.gz UKLALLLRABPQGS-UHFFFAOYSA-N 1 2 296.370 1.267 20 30 CDEDLO C#CC[C@@H]([NH2+]C1CCC(COC)CC1)C(=O)OC ZINC000839168438 936907517 /nfs/dbraw/zinc/90/75/17/936907517.db2.gz LWHIQLPFMXVEGU-WXRRBKDZSA-N 1 2 253.342 1.346 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001079681220 924402492 /nfs/dbraw/zinc/40/24/92/924402492.db2.gz AVROAHTZRDKAQR-ZWNOBZJWSA-N 1 2 296.802 1.152 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001079681220 924402497 /nfs/dbraw/zinc/40/24/97/924402497.db2.gz AVROAHTZRDKAQR-ZWNOBZJWSA-N 1 2 296.802 1.152 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2snnc2CC)C1 ZINC001080066638 924478698 /nfs/dbraw/zinc/47/86/98/924478698.db2.gz SPQSNRXBLBGGRD-ZYHUDNBSSA-N 1 2 292.408 1.174 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2snnc2CC)C1 ZINC001080066638 924478703 /nfs/dbraw/zinc/47/87/03/924478703.db2.gz SPQSNRXBLBGGRD-ZYHUDNBSSA-N 1 2 292.408 1.174 20 30 CDEDLO CC(C)[C@@H]1N(C[NH+]2CCC(C#N)CC2)C(=O)[C@]12CCCO2 ZINC000839979797 936931487 /nfs/dbraw/zinc/93/14/87/936931487.db2.gz OMLJXQMNBIROHM-HOCLYGCPSA-N 1 2 291.395 1.595 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001195726583 924693357 /nfs/dbraw/zinc/69/33/57/924693357.db2.gz YWRPEKWAJLAQQY-LWSHCTJVSA-N 1 2 272.776 1.257 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001195726583 924693361 /nfs/dbraw/zinc/69/33/61/924693361.db2.gz YWRPEKWAJLAQQY-LWSHCTJVSA-N 1 2 272.776 1.257 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnc(C)s2)[C@H](OC)C1 ZINC001081426374 924750956 /nfs/dbraw/zinc/75/09/56/924750956.db2.gz OKUYTJOOPMXSTL-GHMZBOCLSA-N 1 2 281.381 1.067 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cnc(C)s2)[C@H](OC)C1 ZINC001081426374 924750962 /nfs/dbraw/zinc/75/09/62/924750962.db2.gz OKUYTJOOPMXSTL-GHMZBOCLSA-N 1 2 281.381 1.067 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC001196854929 925002333 /nfs/dbraw/zinc/00/23/33/925002333.db2.gz VTIDTUMTDVHBLR-KBPBESRZSA-N 1 2 295.427 1.115 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC001196854929 925002344 /nfs/dbraw/zinc/00/23/44/925002344.db2.gz VTIDTUMTDVHBLR-KBPBESRZSA-N 1 2 295.427 1.115 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C3CCCCC3)[C@H]2C1 ZINC001082984900 925060274 /nfs/dbraw/zinc/06/02/74/925060274.db2.gz AVTKCXWBBFLRDZ-LSDHHAIUSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CCCCC3)[C@H]2C1 ZINC001082984900 925060280 /nfs/dbraw/zinc/06/02/80/925060280.db2.gz AVTKCXWBBFLRDZ-LSDHHAIUSA-N 1 2 276.380 1.112 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867233604 925124498 /nfs/dbraw/zinc/12/44/98/925124498.db2.gz VWEMIEIIQUCGBW-QPBFKRLHSA-N 1 2 266.385 1.736 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(CC)c(C)s2)[C@@H](O)C1 ZINC001084037699 925130478 /nfs/dbraw/zinc/13/04/78/925130478.db2.gz FLFQSNGCUHQSRL-OLZOCXBDSA-N 1 2 292.404 1.027 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)c(C)s2)[C@@H](O)C1 ZINC001084037699 925130482 /nfs/dbraw/zinc/13/04/82/925130482.db2.gz FLFQSNGCUHQSRL-OLZOCXBDSA-N 1 2 292.404 1.027 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001084235791 925198600 /nfs/dbraw/zinc/19/86/00/925198600.db2.gz OAKPBDKPVOSISO-MVWJERBFSA-N 1 2 267.760 1.431 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001084235791 925198606 /nfs/dbraw/zinc/19/86/06/925198606.db2.gz OAKPBDKPVOSISO-MVWJERBFSA-N 1 2 267.760 1.431 20 30 CDEDLO C=CCCC(=O)N[C@H]1CC2(C[NH+](CC#CC)C2)n2ccnc21 ZINC001101615281 936994692 /nfs/dbraw/zinc/99/46/92/936994692.db2.gz DWZSVPUJZJYLKS-AWEZNQCLSA-N 1 2 298.390 1.445 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001098294581 925421318 /nfs/dbraw/zinc/42/13/18/925421318.db2.gz VYDGHZFEIKHEMG-RTXFEEFZSA-N 1 2 290.367 1.293 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cnc(CC)s3)[C@@H]2C1 ZINC001084862609 925463665 /nfs/dbraw/zinc/46/36/65/925463665.db2.gz TWGHJSNIMLKUOP-VXGBXAGGSA-N 1 2 289.404 1.485 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc(CC)s3)[C@@H]2C1 ZINC001084862609 925463671 /nfs/dbraw/zinc/46/36/71/925463671.db2.gz TWGHJSNIMLKUOP-VXGBXAGGSA-N 1 2 289.404 1.485 20 30 CDEDLO C#Cc1cncc(C(=O)NC[C@@]2(C)C[N@H+](CC=C)CCO2)c1 ZINC001108202276 925787617 /nfs/dbraw/zinc/78/76/17/925787617.db2.gz AKQYRGFMMKCHEX-KRWDZBQOSA-N 1 2 299.374 1.070 20 30 CDEDLO C#Cc1cncc(C(=O)NC[C@@]2(C)C[N@@H+](CC=C)CCO2)c1 ZINC001108202276 925787623 /nfs/dbraw/zinc/78/76/23/925787623.db2.gz AKQYRGFMMKCHEX-KRWDZBQOSA-N 1 2 299.374 1.070 20 30 CDEDLO C=CCSc1ncccc1C(=O)NCCn1cc[nH+]c1 ZINC001199736413 925855082 /nfs/dbraw/zinc/85/50/82/925855082.db2.gz PMNWYAWOLJRNTI-UHFFFAOYSA-N 1 2 288.376 1.986 20 30 CDEDLO N#Cc1cnc(CNC(=O)[C@@H]2CC3CC[NH+]2CC3)s1 ZINC001142637709 937044586 /nfs/dbraw/zinc/04/45/86/937044586.db2.gz OPDQGUVRZGJMTD-NSHDSACASA-N 1 2 276.365 1.115 20 30 CDEDLO Cc1cc(C)c(C(=O)N(C)C[C@@H]2CCN2CC#N)c(C)[nH+]1 ZINC001085734307 926337152 /nfs/dbraw/zinc/33/71/52/926337152.db2.gz DCQSNBZTMQWDFW-AWEZNQCLSA-N 1 2 286.379 1.677 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1conc1CC ZINC001085804721 926408566 /nfs/dbraw/zinc/40/85/66/926408566.db2.gz PPOLERBGJQRZAT-NSHDSACASA-N 1 2 261.325 1.017 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1conc1CC ZINC001085804721 926408572 /nfs/dbraw/zinc/40/85/72/926408572.db2.gz PPOLERBGJQRZAT-NSHDSACASA-N 1 2 261.325 1.017 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccnc(OCC)c1 ZINC001085808948 926413370 /nfs/dbraw/zinc/41/33/70/926413370.db2.gz QMXQFHRTIINPFA-AWEZNQCLSA-N 1 2 287.363 1.260 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccnc(OCC)c1 ZINC001085808948 926413374 /nfs/dbraw/zinc/41/33/74/926413374.db2.gz QMXQFHRTIINPFA-AWEZNQCLSA-N 1 2 287.363 1.260 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnoc1CC ZINC001085852542 926451401 /nfs/dbraw/zinc/45/14/01/926451401.db2.gz ZMCQOMKCTJTSEF-LLVKDONJSA-N 1 2 261.325 1.017 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnoc1CC ZINC001085852542 926451406 /nfs/dbraw/zinc/45/14/06/926451406.db2.gz ZMCQOMKCTJTSEF-LLVKDONJSA-N 1 2 261.325 1.017 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C)nc1OC ZINC001085855239 926460180 /nfs/dbraw/zinc/46/01/80/926460180.db2.gz TVWKBDCTBCFYRQ-ZDUSSCGKSA-N 1 2 287.363 1.178 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C)nc1OC ZINC001085855239 926460186 /nfs/dbraw/zinc/46/01/86/926460186.db2.gz TVWKBDCTBCFYRQ-ZDUSSCGKSA-N 1 2 287.363 1.178 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(N[C@@H]3CCS(=O)(=O)C3)c2c1 ZINC001155057173 926466276 /nfs/dbraw/zinc/46/62/76/926466276.db2.gz ZVCXRMXHRWDOPP-GFCCVEGCSA-N 1 2 287.344 1.705 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]nc1C(C)(C)C ZINC001085918845 926505579 /nfs/dbraw/zinc/50/55/79/926505579.db2.gz NUXCNMOLYUUKPJ-GFCCVEGCSA-N 1 2 288.395 1.487 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]nc1C(C)(C)C ZINC001085918845 926505582 /nfs/dbraw/zinc/50/55/82/926505582.db2.gz NUXCNMOLYUUKPJ-GFCCVEGCSA-N 1 2 288.395 1.487 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(C(C)C)c1 ZINC001085921096 926508518 /nfs/dbraw/zinc/50/85/18/926508518.db2.gz UJVHNOMEPILLIT-CQSZACIVSA-N 1 2 274.368 1.244 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(C(C)C)c1 ZINC001085921096 926508529 /nfs/dbraw/zinc/50/85/29/926508529.db2.gz UJVHNOMEPILLIT-CQSZACIVSA-N 1 2 274.368 1.244 20 30 CDEDLO C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001110582393 926554068 /nfs/dbraw/zinc/55/40/68/926554068.db2.gz DOCZJZZASWSHSG-CHWFTXMASA-N 1 2 292.276 1.632 20 30 CDEDLO C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001110582393 926554072 /nfs/dbraw/zinc/55/40/72/926554072.db2.gz DOCZJZZASWSHSG-CHWFTXMASA-N 1 2 292.276 1.632 20 30 CDEDLO C=CCO[C@H](C)C(=O)NCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001153134147 927581465 /nfs/dbraw/zinc/58/14/65/927581465.db2.gz AFKGJUUPBFZGRI-VXGBXAGGSA-N 1 2 281.356 1.341 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cnon3)CC2)cc1 ZINC000851723818 927612994 /nfs/dbraw/zinc/61/29/94/927612994.db2.gz RBUPGUCSEYOATF-UHFFFAOYSA-N 1 2 283.335 1.259 20 30 CDEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc(Cl)nc1 ZINC000851979224 927678249 /nfs/dbraw/zinc/67/82/49/927678249.db2.gz BSLGFZYYRHDHHI-UHFFFAOYSA-N 1 2 283.759 1.808 20 30 CDEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc(Cl)nc1 ZINC000851979224 927678253 /nfs/dbraw/zinc/67/82/53/927678253.db2.gz BSLGFZYYRHDHHI-UHFFFAOYSA-N 1 2 283.759 1.808 20 30 CDEDLO COC(=O)[C@@]1([NH2+]CCO[C@H](C)C#N)CC[C@@H](C)CC1 ZINC000852471748 927793291 /nfs/dbraw/zinc/79/32/91/927793291.db2.gz GDHRWXPCWXETBH-YRGRVCCFSA-N 1 2 268.357 1.627 20 30 CDEDLO C[N@@H+](Cc1ccc(F)cc1C#N)C[C@H]1COCCO1 ZINC000852496077 927799651 /nfs/dbraw/zinc/79/96/51/927799651.db2.gz PAKMEZRPCAAIDP-AWEZNQCLSA-N 1 2 264.300 1.545 20 30 CDEDLO C[N@H+](Cc1ccc(F)cc1C#N)C[C@H]1COCCO1 ZINC000852496077 927799657 /nfs/dbraw/zinc/79/96/57/927799657.db2.gz PAKMEZRPCAAIDP-AWEZNQCLSA-N 1 2 264.300 1.545 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cc1ccoc1C(=O)OC ZINC000852751467 927860372 /nfs/dbraw/zinc/86/03/72/927860372.db2.gz DRUWBIGGWOYTAT-UHFFFAOYSA-N 1 2 265.309 1.538 20 30 CDEDLO C#CCC[N@H+](CCOC)Cc1ccoc1C(=O)OC ZINC000852751467 927860380 /nfs/dbraw/zinc/86/03/80/927860380.db2.gz DRUWBIGGWOYTAT-UHFFFAOYSA-N 1 2 265.309 1.538 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CNc1ncccc1C#N ZINC001108468909 928009704 /nfs/dbraw/zinc/00/97/04/928009704.db2.gz RVNBOEJVYWHBLY-JTQLQIEISA-N 1 2 298.350 1.144 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](CN2CCC3(CCOCC3)C2=O)C1 ZINC000853525140 928037971 /nfs/dbraw/zinc/03/79/71/928037971.db2.gz TUJFPMXUFUSJFI-CQSZACIVSA-N 1 2 291.395 1.599 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](CN2CCC3(CCOCC3)C2=O)C1 ZINC000853525140 928037976 /nfs/dbraw/zinc/03/79/76/928037976.db2.gz TUJFPMXUFUSJFI-CQSZACIVSA-N 1 2 291.395 1.599 20 30 CDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)CC2(CCCC2)C1=O ZINC000853619699 928058132 /nfs/dbraw/zinc/05/81/32/928058132.db2.gz IAOKCZUTPYUBRU-UHFFFAOYSA-N 1 2 292.379 1.235 20 30 CDEDLO C#CCC[N@H+](CCOC)CN1C(=O)CC2(CCCC2)C1=O ZINC000853619699 928058145 /nfs/dbraw/zinc/05/81/45/928058145.db2.gz IAOKCZUTPYUBRU-UHFFFAOYSA-N 1 2 292.379 1.235 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cn1cccnc1=S ZINC000853620141 928058423 /nfs/dbraw/zinc/05/84/23/928058423.db2.gz SHCWBTLMTPGVLC-UHFFFAOYSA-N 1 2 251.355 1.542 20 30 CDEDLO C#CCC[N@H+](CCOC)Cn1cccnc1=S ZINC000853620141 928058435 /nfs/dbraw/zinc/05/84/35/928058435.db2.gz SHCWBTLMTPGVLC-UHFFFAOYSA-N 1 2 251.355 1.542 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000854040955 928143786 /nfs/dbraw/zinc/14/37/86/928143786.db2.gz VSRKLZMTJDQNPN-JSGCOSHPSA-N 1 2 271.364 1.602 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000854040955 928143795 /nfs/dbraw/zinc/14/37/95/928143795.db2.gz VSRKLZMTJDQNPN-JSGCOSHPSA-N 1 2 271.364 1.602 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000854040954 928145154 /nfs/dbraw/zinc/14/51/54/928145154.db2.gz VSRKLZMTJDQNPN-GXTWGEPZSA-N 1 2 271.364 1.602 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000854040954 928145160 /nfs/dbraw/zinc/14/51/60/928145160.db2.gz VSRKLZMTJDQNPN-GXTWGEPZSA-N 1 2 271.364 1.602 20 30 CDEDLO C#CC[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1ccccc1 ZINC000866997925 928163828 /nfs/dbraw/zinc/16/38/28/928163828.db2.gz AXVKCXGDSNZTPE-DKISHCGFSA-N 1 2 298.386 1.756 20 30 CDEDLO CCc1ccc([C@H](C#N)NC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC000854474008 928213440 /nfs/dbraw/zinc/21/34/40/928213440.db2.gz IOIIKUUHZSZUSU-ZDUSSCGKSA-N 1 2 268.320 1.896 20 30 CDEDLO C[N@@H+]1CCOC[C@@H]1CNc1cc(C#N)c(Cl)cn1 ZINC001169650259 928277319 /nfs/dbraw/zinc/27/73/19/928277319.db2.gz XMLSHNKCFDJGDJ-JTQLQIEISA-N 1 2 266.732 1.349 20 30 CDEDLO C[N@H+]1CCOC[C@@H]1CNc1cc(C#N)c(Cl)cn1 ZINC001169650259 928277333 /nfs/dbraw/zinc/27/73/33/928277333.db2.gz XMLSHNKCFDJGDJ-JTQLQIEISA-N 1 2 266.732 1.349 20 30 CDEDLO Cc1cc(NC(=O)NCc2ccc(C#N)cn2)c(C)c[nH+]1 ZINC000782058253 937237243 /nfs/dbraw/zinc/23/72/43/937237243.db2.gz HKKTXFUCNLWTPD-UHFFFAOYSA-N 1 2 281.319 1.709 20 30 CDEDLO O=C1C=C2C[N@H+]([C@H]3CCCC4(C3)OCCO4)CC[C@H]2S1 ZINC001169934445 928527101 /nfs/dbraw/zinc/52/71/01/928527101.db2.gz MSEJFPMVPZPLQT-QWHCGFSZSA-N 1 2 295.404 1.946 20 30 CDEDLO O=C1C=C2C[N@@H+]([C@H]3CCCC4(C3)OCCO4)CC[C@H]2S1 ZINC001169934445 928527105 /nfs/dbraw/zinc/52/71/05/928527105.db2.gz MSEJFPMVPZPLQT-QWHCGFSZSA-N 1 2 295.404 1.946 20 30 CDEDLO CCc1noc(CO[NH+]=C(N)c2ccc(OC)cc2)n1 ZINC000114185992 928588109 /nfs/dbraw/zinc/58/81/09/928588109.db2.gz AUDOKHUDWVAGHW-UHFFFAOYSA-N 1 2 276.296 1.478 20 30 CDEDLO C=CCCC(=O)N[C@]1(C)CCN(c2cc[nH+]c(C)n2)C1 ZINC001110712680 928631461 /nfs/dbraw/zinc/63/14/61/928631461.db2.gz NLHPXDFJOAZDDG-OAHLLOKOSA-N 1 2 274.368 1.836 20 30 CDEDLO Cc1nc(N(C)CCCN(C)C(=O)C#CC2CC2)cc[nH+]1 ZINC001112085254 937269297 /nfs/dbraw/zinc/26/92/97/937269297.db2.gz KDRMXEOZKZTVAB-UHFFFAOYSA-N 1 2 286.379 1.483 20 30 CDEDLO C#CCNC(=O)C[N@@H+](C)[C@@H](COC)c1ccc(Cl)cc1 ZINC000786178218 929210091 /nfs/dbraw/zinc/21/00/91/929210091.db2.gz LAFSZQLPQFSMJC-AWEZNQCLSA-N 1 2 294.782 1.709 20 30 CDEDLO C#CCNC(=O)C[N@H+](C)[C@@H](COC)c1ccc(Cl)cc1 ZINC000786178218 929210101 /nfs/dbraw/zinc/21/01/01/929210101.db2.gz LAFSZQLPQFSMJC-AWEZNQCLSA-N 1 2 294.782 1.709 20 30 CDEDLO Cc1noc(C)c1C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000787166533 929326439 /nfs/dbraw/zinc/32/64/39/929326439.db2.gz AOVZCOAYEQBEQE-NSHDSACASA-N 1 2 290.367 1.674 20 30 CDEDLO Cc1noc(C)c1C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000787166533 929326443 /nfs/dbraw/zinc/32/64/43/929326443.db2.gz AOVZCOAYEQBEQE-NSHDSACASA-N 1 2 290.367 1.674 20 30 CDEDLO C=Cn1cc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)cn1 ZINC000862421656 929414838 /nfs/dbraw/zinc/41/48/38/929414838.db2.gz BXHGOUVYRKPYJK-UHFFFAOYSA-N 1 2 294.362 1.572 20 30 CDEDLO CCCCOCC[NH+]1CCN(C(=O)C#CC2CC2)CC1 ZINC001112832372 929466143 /nfs/dbraw/zinc/46/61/43/929466143.db2.gz TWTCDAAZFCOIFS-UHFFFAOYSA-N 1 2 278.396 1.361 20 30 CDEDLO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CC1(C#N)CC1 ZINC000797605375 937333686 /nfs/dbraw/zinc/33/36/86/937333686.db2.gz OCOREKLQXDEUJO-LBPRGKRZSA-N 1 2 278.377 1.742 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)C2(COC)CCOCC2)CC1 ZINC001112934895 929580069 /nfs/dbraw/zinc/58/00/69/929580069.db2.gz VKZIWNKJQZGAGZ-UHFFFAOYSA-N 1 2 296.411 1.150 20 30 CDEDLO Cn1cc(C=[NH+]Nc2ccc3n[nH]cc3c2)c(=O)[nH]1 ZINC000814226740 929639107 /nfs/dbraw/zinc/63/91/07/929639107.db2.gz IDIWUXSWZFCVFN-UHFFFAOYSA-N 1 2 256.269 1.448 20 30 CDEDLO CC[N@H+](Cc1nc(C)cs1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152449699 937363138 /nfs/dbraw/zinc/36/31/38/937363138.db2.gz IEQJUJUXJSOARJ-CMPLNLGQSA-N 1 2 294.424 1.938 20 30 CDEDLO CC[N@@H+](Cc1nc(C)cs1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152449699 937363139 /nfs/dbraw/zinc/36/31/39/937363139.db2.gz IEQJUJUXJSOARJ-CMPLNLGQSA-N 1 2 294.424 1.938 20 30 CDEDLO C#CCC(CC#C)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000881438600 929846025 /nfs/dbraw/zinc/84/60/25/929846025.db2.gz WFFRBWKPZWNBJA-KRWDZBQOSA-N 1 2 280.371 1.952 20 30 CDEDLO C#CCC(CC#C)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000881438600 929846031 /nfs/dbraw/zinc/84/60/31/929846031.db2.gz WFFRBWKPZWNBJA-KRWDZBQOSA-N 1 2 280.371 1.952 20 30 CDEDLO Cn1nncc1N[NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC000814984477 929910292 /nfs/dbraw/zinc/91/02/92/929910292.db2.gz ZPHUDIHHDVFJMS-VIFPVBQESA-N 1 2 268.324 1.934 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ncc(C#N)cc2C)CC1 ZINC000815186053 929959630 /nfs/dbraw/zinc/95/96/30/929959630.db2.gz PCGVRBWNFOFXQU-UHFFFAOYSA-N 1 2 282.347 1.043 20 30 CDEDLO C=C(C)C[C@H](CO)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000882902617 930098461 /nfs/dbraw/zinc/09/84/61/930098461.db2.gz KKLQQZUDUCTURI-NWDGAFQWSA-N 1 2 251.330 1.278 20 30 CDEDLO COc1cc(C=NNc2[nH+]ccn2C)ccc1C#N ZINC000799487327 937389544 /nfs/dbraw/zinc/38/95/44/937389544.db2.gz KKBUCNADQVHUNK-UHFFFAOYSA-N 1 2 255.281 1.746 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](CC(C)C)C1 ZINC000884133568 930452972 /nfs/dbraw/zinc/45/29/72/930452972.db2.gz CTMDATOXEMFSEU-OLZOCXBDSA-N 1 2 282.384 1.328 20 30 CDEDLO C[C@H](C#N)OCC[N@@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000817299148 930487773 /nfs/dbraw/zinc/48/77/73/930487773.db2.gz VXYLYUYSRKKVGO-UKRRQHHQSA-N 1 2 293.411 1.686 20 30 CDEDLO C[C@H](C#N)OCC[N@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000817299148 930487776 /nfs/dbraw/zinc/48/77/76/930487776.db2.gz VXYLYUYSRKKVGO-UKRRQHHQSA-N 1 2 293.411 1.686 20 30 CDEDLO C=CCC1(O)CCN(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000884358751 930537743 /nfs/dbraw/zinc/53/77/43/930537743.db2.gz XGVWOVAWFUALEX-UHFFFAOYSA-N 1 2 278.356 1.033 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@H]1CC(C)(C)C ZINC000884383601 930548340 /nfs/dbraw/zinc/54/83/40/930548340.db2.gz OLHVPNMJIFRFOI-SDDRHHMPSA-N 1 2 282.384 1.374 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1=S ZINC000884482843 930581268 /nfs/dbraw/zinc/58/12/68/930581268.db2.gz IQSACUCGJRNAEA-VXGBXAGGSA-N 1 2 295.412 1.453 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1=S ZINC000884482843 930581276 /nfs/dbraw/zinc/58/12/76/930581276.db2.gz IQSACUCGJRNAEA-VXGBXAGGSA-N 1 2 295.412 1.453 20 30 CDEDLO C=CC(C)(C)CC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000884649571 930617820 /nfs/dbraw/zinc/61/78/20/930617820.db2.gz HZVZLJFZLUCMSM-LBPRGKRZSA-N 1 2 255.358 1.853 20 30 CDEDLO COC(=O)C[N@H+](C[C@@H](O)CC1(C#N)CCC1)C1CC1 ZINC000886035324 930791452 /nfs/dbraw/zinc/79/14/52/930791452.db2.gz LOPBVCLFHJLDDU-LBPRGKRZSA-N 1 2 266.341 1.069 20 30 CDEDLO COC(=O)C[N@@H+](C[C@@H](O)CC1(C#N)CCC1)C1CC1 ZINC000886035324 930791456 /nfs/dbraw/zinc/79/14/56/930791456.db2.gz LOPBVCLFHJLDDU-LBPRGKRZSA-N 1 2 266.341 1.069 20 30 CDEDLO C#CC[C@H]1CC[N@@H+](Cc2noc(CCCC(=O)OC)n2)C1 ZINC000886358628 930870149 /nfs/dbraw/zinc/87/01/49/930870149.db2.gz YQRIPQQNLISOKP-LBPRGKRZSA-N 1 2 291.351 1.411 20 30 CDEDLO C#CC[C@H]1CC[N@H+](Cc2noc(CCCC(=O)OC)n2)C1 ZINC000886358628 930870157 /nfs/dbraw/zinc/87/01/57/930870157.db2.gz YQRIPQQNLISOKP-LBPRGKRZSA-N 1 2 291.351 1.411 20 30 CDEDLO C=C(C)CN1CC2(C[NH+](CCSCC)C2)OCC1=O ZINC001274007399 931099441 /nfs/dbraw/zinc/09/94/41/931099441.db2.gz FFIGFASJLCVXHN-UHFFFAOYSA-N 1 2 284.425 1.229 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC3(CC3)C2)[C@H](O)C1 ZINC001090559001 931105866 /nfs/dbraw/zinc/10/58/66/931105866.db2.gz HLIYXUBOEZQJKR-CHWSQXEVSA-N 1 2 298.814 1.481 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC3(CC3)C2)[C@H](O)C1 ZINC001090559001 931105871 /nfs/dbraw/zinc/10/58/71/931105871.db2.gz HLIYXUBOEZQJKR-CHWSQXEVSA-N 1 2 298.814 1.481 20 30 CDEDLO C#CCO[C@H](C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000822442446 931154889 /nfs/dbraw/zinc/15/48/89/931154889.db2.gz VBPZZGRDRPTQJR-CQSZACIVSA-N 1 2 297.358 1.586 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000822726089 931196307 /nfs/dbraw/zinc/19/63/07/931196307.db2.gz MKPORUCENPFUBO-QWHCGFSZSA-N 1 2 277.368 1.452 20 30 CDEDLO C#CCSCC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000889083472 931294537 /nfs/dbraw/zinc/29/45/37/931294537.db2.gz CCHIFHXWBXIOQD-CQSZACIVSA-N 1 2 296.436 1.066 20 30 CDEDLO C=C[C@@](C)(O)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000824814605 931482912 /nfs/dbraw/zinc/48/29/12/931482912.db2.gz TVMAXBARFQVLTR-CQSZACIVSA-N 1 2 264.325 1.260 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2occc2C)CC1 ZINC000824867623 931483933 /nfs/dbraw/zinc/48/39/33/931483933.db2.gz TUXNNFSZRLJRGO-UHFFFAOYSA-N 1 2 262.309 1.867 20 30 CDEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1cnc(C)[nH]1)CC2 ZINC001274576696 931510264 /nfs/dbraw/zinc/51/02/64/931510264.db2.gz QSIPUIQKWMUFAV-CQSZACIVSA-N 1 2 286.379 1.070 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccccc2O)CC1 ZINC001144256330 931718289 /nfs/dbraw/zinc/71/82/89/931718289.db2.gz DGKDMGVAQPRLKW-UHFFFAOYSA-N 1 2 260.337 1.265 20 30 CDEDLO C=C(Cc1ccccc1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001144407797 931797563 /nfs/dbraw/zinc/79/75/63/931797563.db2.gz JGBITTZDFZUMHN-OAHLLOKOSA-N 1 2 274.364 1.232 20 30 CDEDLO C=C(Cc1ccccc1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001144407797 931797567 /nfs/dbraw/zinc/79/75/67/931797567.db2.gz JGBITTZDFZUMHN-OAHLLOKOSA-N 1 2 274.364 1.232 20 30 CDEDLO C=C(C)CONC(=O)NCCCNc1cccc[nH+]1 ZINC000845593403 931855640 /nfs/dbraw/zinc/85/56/40/931855640.db2.gz ZBWZFBCCIHSHJP-UHFFFAOYSA-N 1 2 264.329 1.691 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CCOC[C@H]2CCC(=O)OC)cc1 ZINC001144580766 931902544 /nfs/dbraw/zinc/90/25/44/931902544.db2.gz ILEBNTPOQNNSKX-MRXNPFEDSA-N 1 2 287.359 1.822 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CCOC[C@H]2CCC(=O)OC)cc1 ZINC001144580766 931902547 /nfs/dbraw/zinc/90/25/47/931902547.db2.gz ILEBNTPOQNNSKX-MRXNPFEDSA-N 1 2 287.359 1.822 20 30 CDEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCn2ncnc2C1 ZINC001171203998 931944492 /nfs/dbraw/zinc/94/44/92/931944492.db2.gz RASCLEOWQYPXOI-LBPRGKRZSA-N 1 2 267.336 1.597 20 30 CDEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCn2ncnc2C1 ZINC001171203998 931944503 /nfs/dbraw/zinc/94/45/03/931944503.db2.gz RASCLEOWQYPXOI-LBPRGKRZSA-N 1 2 267.336 1.597 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000846018428 931954674 /nfs/dbraw/zinc/95/46/74/931954674.db2.gz MKEZUOZJMVGDDY-VXGBXAGGSA-N 1 2 260.341 1.676 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cnsn3)CC2)cc1 ZINC000846772278 932131678 /nfs/dbraw/zinc/13/16/78/932131678.db2.gz QVGXNOPFVCGQJH-UHFFFAOYSA-N 1 2 299.403 1.728 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccccc2C(=O)OC)CC1 ZINC001148233175 932675290 /nfs/dbraw/zinc/67/52/90/932675290.db2.gz YGFNZZNEKLMKOZ-UHFFFAOYSA-N 1 2 288.347 1.417 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928640289 933168950 /nfs/dbraw/zinc/16/89/50/933168950.db2.gz OHBZDKIUFIPHSC-UONOGXRCSA-N 1 2 284.400 1.195 20 30 CDEDLO COC(=O)[C@@](C)(CO)[NH2+]CCCCC1(C#N)CCC1 ZINC000930693808 933432305 /nfs/dbraw/zinc/43/23/05/933432305.db2.gz VZOYKDXLQRTXAI-CYBMUJFWSA-N 1 2 268.357 1.364 20 30 CDEDLO C=C(C)CN(C)C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000778147745 933781649 /nfs/dbraw/zinc/78/16/49/933781649.db2.gz DFDPNSMRMRMWMJ-UHFFFAOYSA-N 1 2 290.367 1.429 20 30 CDEDLO COCC[N@H+](CCC#N)Cc1cc(OC)c(OC)cc1O ZINC000160132147 934417297 /nfs/dbraw/zinc/41/72/97/934417297.db2.gz DTEVSXJDOLSUPL-UHFFFAOYSA-N 1 2 294.351 1.771 20 30 CDEDLO COCC[N@@H+](CCC#N)Cc1cc(OC)c(OC)cc1O ZINC000160132147 934417303 /nfs/dbraw/zinc/41/73/03/934417303.db2.gz DTEVSXJDOLSUPL-UHFFFAOYSA-N 1 2 294.351 1.771 20 30 CDEDLO C#CC[N@@H+](CN1C[C@@H](OC)CC1=O)[C@@H]1CCc2ccccc21 ZINC000189070291 934451981 /nfs/dbraw/zinc/45/19/81/934451981.db2.gz BLXRGOPYYALRLP-DOTOQJQBSA-N 1 2 298.386 1.814 20 30 CDEDLO C#CC[N@H+](CN1C[C@@H](OC)CC1=O)[C@@H]1CCc2ccccc21 ZINC000189070291 934451984 /nfs/dbraw/zinc/45/19/84/934451984.db2.gz BLXRGOPYYALRLP-DOTOQJQBSA-N 1 2 298.386 1.814 20 30 CDEDLO C#CCOCCC(=O)N(C)C[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001120150491 937783172 /nfs/dbraw/zinc/78/31/72/937783172.db2.gz DQXGDGAAZONRIV-GFCCVEGCSA-N 1 2 290.367 1.084 20 30 CDEDLO C#CCCCNc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000192322466 934608689 /nfs/dbraw/zinc/60/86/89/934608689.db2.gz QXCOXMOJOWDVOT-ZDUSSCGKSA-N 1 2 274.368 1.653 20 30 CDEDLO C#CCCCNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000192322466 934608694 /nfs/dbraw/zinc/60/86/94/934608694.db2.gz QXCOXMOJOWDVOT-ZDUSSCGKSA-N 1 2 274.368 1.653 20 30 CDEDLO C[C@H]1C[NH+]=C(NN=Cc2ccc(O)c(Cl)c2)N1 ZINC000779793834 934707444 /nfs/dbraw/zinc/70/74/44/934707444.db2.gz ASAKWQSRVVJELN-ZETCQYMHSA-N 1 2 252.705 1.317 20 30 CDEDLO CC1(C#N)CC[NH+](CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000779879702 934756734 /nfs/dbraw/zinc/75/67/34/934756734.db2.gz NZMIDXSSWDOMTR-BETUJISGSA-N 1 2 287.363 1.521 20 30 CDEDLO COC(=O)[C@H](CS)[NH2+][C@H](C)CC(C)(C)SC ZINC001258321380 934779646 /nfs/dbraw/zinc/77/96/46/934779646.db2.gz KGBQANDSVASGKW-BDAKNGLRSA-N 1 2 265.444 1.968 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)s1 ZINC001038002885 935330001 /nfs/dbraw/zinc/33/00/01/935330001.db2.gz JQRGBMOGEGNDKT-GFCCVEGCSA-N 1 2 262.378 1.884 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)s1 ZINC001038002885 935330008 /nfs/dbraw/zinc/33/00/08/935330008.db2.gz JQRGBMOGEGNDKT-GFCCVEGCSA-N 1 2 262.378 1.884 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC2(F)F)C1 ZINC001014892704 935553577 /nfs/dbraw/zinc/55/35/77/935553577.db2.gz VCMDAWIDTFZOHI-ZJUUUORDSA-N 1 2 278.730 1.975 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC2(F)F)C1 ZINC001014892704 935553581 /nfs/dbraw/zinc/55/35/81/935553581.db2.gz VCMDAWIDTFZOHI-ZJUUUORDSA-N 1 2 278.730 1.975 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001015622280 935576474 /nfs/dbraw/zinc/57/64/74/935576474.db2.gz DYMCKHPHICKIMM-CQSZACIVSA-N 1 2 291.395 1.721 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2occc2CN(C)C)C1 ZINC001015622280 935576476 /nfs/dbraw/zinc/57/64/76/935576476.db2.gz DYMCKHPHICKIMM-CQSZACIVSA-N 1 2 291.395 1.721 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cnc(CC)s2)C1 ZINC001016387447 935612363 /nfs/dbraw/zinc/61/23/63/935612363.db2.gz KWCMZSBEOCLSFT-JTQLQIEISA-N 1 2 263.366 1.143 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnc(CC)s2)C1 ZINC001016387447 935612366 /nfs/dbraw/zinc/61/23/66/935612366.db2.gz KWCMZSBEOCLSFT-JTQLQIEISA-N 1 2 263.366 1.143 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccncc1C ZINC001017555426 935642804 /nfs/dbraw/zinc/64/28/04/935642804.db2.gz MGQFXHVXWOPFDQ-IYBDPMFKSA-N 1 2 283.375 1.241 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccncc1C ZINC001017555426 935642806 /nfs/dbraw/zinc/64/28/06/935642806.db2.gz MGQFXHVXWOPFDQ-IYBDPMFKSA-N 1 2 283.375 1.241 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cccnc1 ZINC001017712099 935647258 /nfs/dbraw/zinc/64/72/58/935647258.db2.gz OYECOCQTFAKUSN-IYBDPMFKSA-N 1 2 283.375 1.323 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cccnc1 ZINC001017712099 935647261 /nfs/dbraw/zinc/64/72/61/935647261.db2.gz OYECOCQTFAKUSN-IYBDPMFKSA-N 1 2 283.375 1.323 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cncc1C ZINC001017733436 935647632 /nfs/dbraw/zinc/64/76/32/935647632.db2.gz LPGKRYGKOGCTHX-GASCZTMLSA-N 1 2 283.375 1.620 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cncc1C ZINC001017733436 935647635 /nfs/dbraw/zinc/64/76/35/935647635.db2.gz LPGKRYGKOGCTHX-GASCZTMLSA-N 1 2 283.375 1.620 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(CC)n1 ZINC001018027511 935658541 /nfs/dbraw/zinc/65/85/41/935658541.db2.gz VQXGISKTYQCXMC-OKILXGFUSA-N 1 2 286.379 1.215 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(CC)n1 ZINC001018027511 935658544 /nfs/dbraw/zinc/65/85/44/935658544.db2.gz VQXGISKTYQCXMC-OKILXGFUSA-N 1 2 286.379 1.215 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1[nH]cnc1C(C)(C)C ZINC001038264332 935738042 /nfs/dbraw/zinc/73/80/42/935738042.db2.gz ATOLZVCOLIIDTP-NSHDSACASA-N 1 2 274.368 1.145 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1[nH]cnc1C(C)(C)C ZINC001038264332 935738044 /nfs/dbraw/zinc/73/80/44/935738044.db2.gz ATOLZVCOLIIDTP-NSHDSACASA-N 1 2 274.368 1.145 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2n(n1)CCCC2 ZINC001038382229 935743021 /nfs/dbraw/zinc/74/30/21/935743021.db2.gz KQBFQTFGFVCJDD-AWEZNQCLSA-N 1 2 286.379 1.047 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2n(n1)CCCC2 ZINC001038382229 935743023 /nfs/dbraw/zinc/74/30/23/935743023.db2.gz KQBFQTFGFVCJDD-AWEZNQCLSA-N 1 2 286.379 1.047 20 30 CDEDLO C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1[nH]ncc1F ZINC001038677419 935752268 /nfs/dbraw/zinc/75/22/68/935752268.db2.gz BXANRHISUGCWSG-SNVBAGLBSA-N 1 2 266.320 1.319 20 30 CDEDLO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1[nH]ncc1F ZINC001038677419 935752270 /nfs/dbraw/zinc/75/22/70/935752270.db2.gz BXANRHISUGCWSG-SNVBAGLBSA-N 1 2 266.320 1.319 20 30 CDEDLO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+]2C/C=C\Cl)c1 ZINC001038685774 935753310 /nfs/dbraw/zinc/75/33/10/935753310.db2.gz XKJZYTNQTVIDFB-MFBWXBCUSA-N 1 2 289.766 1.620 20 30 CDEDLO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@@H+]2C/C=C\Cl)c1 ZINC001038685774 935753312 /nfs/dbraw/zinc/75/33/12/935753312.db2.gz XKJZYTNQTVIDFB-MFBWXBCUSA-N 1 2 289.766 1.620 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(C(C)C)c1 ZINC001038907171 935761987 /nfs/dbraw/zinc/76/19/87/935761987.db2.gz WNSRJFXQRQSTAC-AWEZNQCLSA-N 1 2 274.368 1.291 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(C(C)C)c1 ZINC001038907171 935761988 /nfs/dbraw/zinc/76/19/88/935761988.db2.gz WNSRJFXQRQSTAC-AWEZNQCLSA-N 1 2 274.368 1.291 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn2c(cccc2C)n1 ZINC001039006731 935765341 /nfs/dbraw/zinc/76/53/41/935765341.db2.gz UFVMKTIRAYTNRW-ZDUSSCGKSA-N 1 2 282.347 1.080 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn2c(cccc2C)n1 ZINC001039006731 935765344 /nfs/dbraw/zinc/76/53/44/935765344.db2.gz UFVMKTIRAYTNRW-ZDUSSCGKSA-N 1 2 282.347 1.080 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2cnccc21 ZINC001039021459 935765718 /nfs/dbraw/zinc/76/57/18/935765718.db2.gz HDKYNNBCUOOTPD-CQSZACIVSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2cnccc21 ZINC001039021459 935765721 /nfs/dbraw/zinc/76/57/21/935765721.db2.gz HDKYNNBCUOOTPD-CQSZACIVSA-N 1 2 279.343 1.672 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001039055355 935767959 /nfs/dbraw/zinc/76/79/59/935767959.db2.gz WDXHIFWJXNYUFX-LBPRGKRZSA-N 1 2 299.330 1.361 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001039055355 935767961 /nfs/dbraw/zinc/76/79/61/935767961.db2.gz WDXHIFWJXNYUFX-LBPRGKRZSA-N 1 2 299.330 1.361 20 30 CDEDLO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1cnc(COC)s1 ZINC001039083066 935768878 /nfs/dbraw/zinc/76/88/78/935768878.db2.gz UXQHZWHIGCOSLK-NSHDSACASA-N 1 2 293.392 1.117 20 30 CDEDLO C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(COC)s1 ZINC001039083066 935768882 /nfs/dbraw/zinc/76/88/82/935768882.db2.gz UXQHZWHIGCOSLK-NSHDSACASA-N 1 2 293.392 1.117 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2sccc2C)C1 ZINC001042421405 935820073 /nfs/dbraw/zinc/82/00/73/935820073.db2.gz BZKLQJCOZQCBGA-UHFFFAOYSA-N 1 2 262.378 1.836 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccnn2C(C)C)C1 ZINC001042789452 935828999 /nfs/dbraw/zinc/82/89/99/935828999.db2.gz KHZMGLTXWYTMQG-UHFFFAOYSA-N 1 2 274.368 1.244 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001042782968 935829298 /nfs/dbraw/zinc/82/92/98/935829298.db2.gz MUSSANGZSRCWAT-INIZCTEOSA-N 1 2 260.381 1.899 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccc(C(N)=O)c2)C1 ZINC001043116658 935833577 /nfs/dbraw/zinc/83/35/77/935833577.db2.gz XEEAZAXKWNTEAN-UHFFFAOYSA-N 1 2 287.363 1.118 20 30 CDEDLO Cc1nc(N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)cc[nH+]1 ZINC001043169700 935834738 /nfs/dbraw/zinc/83/47/38/935834738.db2.gz TVNSEGVLDZABMS-BXUZGUMPSA-N 1 2 284.363 1.457 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccn3ccnc3c2)C1 ZINC001043327796 935836379 /nfs/dbraw/zinc/83/63/79/935836379.db2.gz BXCQXXZCCSNMIV-UHFFFAOYSA-N 1 2 284.363 1.667 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCOC[C@@H]2C)C1 ZINC001043786934 935844483 /nfs/dbraw/zinc/84/44/83/935844483.db2.gz GTOPRNXADGTFPN-GXTWGEPZSA-N 1 2 266.385 1.378 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2OCc3ccccc32)C1 ZINC001044243753 935854975 /nfs/dbraw/zinc/85/49/75/935854975.db2.gz LGAMWOXXOFGURM-INIZCTEOSA-N 1 2 286.375 1.977 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccccc2OCC)C1 ZINC001044253053 935855395 /nfs/dbraw/zinc/85/53/95/935855395.db2.gz LZEACDNZXGFTHV-UHFFFAOYSA-N 1 2 286.375 1.865 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CN2CCCCCC2=O)C1 ZINC001044273486 935856325 /nfs/dbraw/zinc/85/63/25/935856325.db2.gz SWLDBOYFEQDORQ-UHFFFAOYSA-N 1 2 293.411 1.108 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](C)C2CCOCC2)C1 ZINC001044381653 935858751 /nfs/dbraw/zinc/85/87/51/935858751.db2.gz UJXBANGJMVOYMO-ZDUSSCGKSA-N 1 2 280.412 1.768 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccccc2N(C)C)C1 ZINC001044363547 935858860 /nfs/dbraw/zinc/85/88/60/935858860.db2.gz QWKMASSMHUACGN-UHFFFAOYSA-N 1 2 285.391 1.532 20 30 CDEDLO C=C[C@H](C(=O)OC)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000800358652 935899761 /nfs/dbraw/zinc/89/97/61/935899761.db2.gz AVFYWDHHEZFAMD-LLVKDONJSA-N 1 2 276.327 1.375 20 30 CDEDLO C=C[C@H](C(=O)OC)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000800358652 935899764 /nfs/dbraw/zinc/89/97/64/935899764.db2.gz AVFYWDHHEZFAMD-LLVKDONJSA-N 1 2 276.327 1.375 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CC(=O)NCC2(C)C)cc1 ZINC000800539122 935910463 /nfs/dbraw/zinc/91/04/63/935910463.db2.gz NSPSDSARVYMUKA-UHFFFAOYSA-N 1 2 272.348 1.409 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CC(=O)NCC2(C)C)cc1 ZINC000800539122 935910466 /nfs/dbraw/zinc/91/04/66/935910466.db2.gz NSPSDSARVYMUKA-UHFFFAOYSA-N 1 2 272.348 1.409 20 30 CDEDLO COc1ccc(N=NC(C)c2cn(C)c(C)[nH+]2)nc1 ZINC000800816561 935937720 /nfs/dbraw/zinc/93/77/20/935937720.db2.gz NIXKUKABMYALOB-UHFFFAOYSA-N 1 2 259.313 1.968 20 30 CDEDLO C[C@H](C#N)OCC[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000801922586 936015879 /nfs/dbraw/zinc/01/58/79/936015879.db2.gz MDXQCBYIDXBVJX-GFCCVEGCSA-N 1 2 296.392 1.451 20 30 CDEDLO C[C@H](C#N)OCC[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000801922586 936015881 /nfs/dbraw/zinc/01/58/81/936015881.db2.gz MDXQCBYIDXBVJX-GFCCVEGCSA-N 1 2 296.392 1.451 20 30 CDEDLO Cc1nc(N[C@H]2C[C@H](NC(=O)C#CC(C)(C)C)C2)cc[nH+]1 ZINC001097025840 936260129 /nfs/dbraw/zinc/26/01/29/936260129.db2.gz NRIMGMFPYIIMOU-JOCQHMNTSA-N 1 2 286.379 1.894 20 30 CDEDLO C#CCN(CC)c1nnc(Cc2[nH+]ccn2C)n1CC(=C)C ZINC001122490111 937936794 /nfs/dbraw/zinc/93/67/94/937936794.db2.gz FZSCMKWKGHAVIU-UHFFFAOYSA-N 1 2 298.394 1.638 20 30 CDEDLO Cc1conc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001206659571 938312106 /nfs/dbraw/zinc/31/21/06/938312106.db2.gz NYWJGHPSLXCCMN-HOSYDEDBSA-N 1 2 276.340 1.079 20 30 CDEDLO Cc1conc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001206659571 938312107 /nfs/dbraw/zinc/31/21/07/938312107.db2.gz NYWJGHPSLXCCMN-HOSYDEDBSA-N 1 2 276.340 1.079 20 30 CDEDLO COc1cc(C[N@@H+]2CCc3nn(C)cc3C2)ccc1C#N ZINC001238410315 945170021 /nfs/dbraw/zinc/17/00/21/945170021.db2.gz ZXZHDRQRKPGHMW-UHFFFAOYSA-N 1 2 282.347 1.859 20 30 CDEDLO COc1cc(C[N@H+]2CCc3nn(C)cc3C2)ccc1C#N ZINC001238410315 945170028 /nfs/dbraw/zinc/17/00/28/945170028.db2.gz ZXZHDRQRKPGHMW-UHFFFAOYSA-N 1 2 282.347 1.859 20 30 CDEDLO CN1C[C@H](CNc2[nH+]ccc3ccc(C#N)cc32)CC1=O ZINC001157904661 938560004 /nfs/dbraw/zinc/56/00/04/938560004.db2.gz GTSSKDVZIHIXCU-LBPRGKRZSA-N 1 2 280.331 1.997 20 30 CDEDLO C=C(C)CC[NH2+]CCCNC(=O)C(F)C(F)(F)F ZINC001158462694 938627821 /nfs/dbraw/zinc/62/78/21/938627821.db2.gz IUYAWFONRGBENK-VIFPVBQESA-N 1 2 270.270 1.949 20 30 CDEDLO C=C(C)CC[NH2+]CCCNC(=O)[C@H](F)C(F)(F)F ZINC001158462694 938627822 /nfs/dbraw/zinc/62/78/22/938627822.db2.gz IUYAWFONRGBENK-VIFPVBQESA-N 1 2 270.270 1.949 20 30 CDEDLO CC(=O)NC[C@H](C)CNc1[nH+]cc(C)cc1/C=N/O ZINC001160654844 938808732 /nfs/dbraw/zinc/80/87/32/938808732.db2.gz BTNOHKJYTNMCCN-JVDJPWEPSA-N 1 2 264.329 1.382 20 30 CDEDLO COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1ccc(C)c(C#N)n1 ZINC001160692218 938815351 /nfs/dbraw/zinc/81/53/51/938815351.db2.gz GQSYUVJUBCGPFJ-GFCCVEGCSA-N 1 2 299.334 1.191 20 30 CDEDLO C#CCCN1CCC[C@H](Nc2cc(CC#N)cc[nH+]2)C1=O ZINC001160900288 938841264 /nfs/dbraw/zinc/84/12/64/938841264.db2.gz ZILBULWBFBUBLG-AWEZNQCLSA-N 1 2 282.347 1.574 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNc2ccc(C3(C#N)CC3)cn2)C1 ZINC001162682959 939115172 /nfs/dbraw/zinc/11/51/72/939115172.db2.gz LWMUVPULJVPBCW-CYBMUJFWSA-N 1 2 272.352 1.379 20 30 CDEDLO C[N@H+]1CCO[C@H](CNc2ccc(C3(C#N)CC3)cn2)C1 ZINC001162682959 939115175 /nfs/dbraw/zinc/11/51/75/939115175.db2.gz LWMUVPULJVPBCW-CYBMUJFWSA-N 1 2 272.352 1.379 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2cccc(C)c2C#N)C[NH2+]1 ZINC001164309030 939450750 /nfs/dbraw/zinc/45/07/50/939450750.db2.gz YYQDEDDCRAZTLV-GWCFXTLKSA-N 1 2 259.309 1.182 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1c1ccc2cccc(F)c2n1 ZINC001164652271 939502555 /nfs/dbraw/zinc/50/25/55/939502555.db2.gz QLBTYYKETLSIIJ-LLVKDONJSA-N 1 2 256.284 1.676 20 30 CDEDLO Cc1cncc(C[NH+]2CCN(c3ccccc3C#N)CC2)n1 ZINC001203161784 939675955 /nfs/dbraw/zinc/67/59/55/939675955.db2.gz NEHUOAZTGODIKS-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO C#CCN1CC[NH+](Cc2ccc(OC)c(C)c2OC)CC1 ZINC001204262848 939749418 /nfs/dbraw/zinc/74/94/18/939749418.db2.gz GPVYUCHWMFRWJL-UHFFFAOYSA-N 1 2 288.391 1.763 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(OC)c(C)c2OC)CC1 ZINC001204262848 939749420 /nfs/dbraw/zinc/74/94/20/939749420.db2.gz GPVYUCHWMFRWJL-UHFFFAOYSA-N 1 2 288.391 1.763 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)COC)C1 ZINC001207988008 940274926 /nfs/dbraw/zinc/27/49/26/940274926.db2.gz FCUWDTIJZHXJOS-ZYHUDNBSSA-N 1 2 288.819 1.848 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)COC)C1 ZINC001207988008 940274928 /nfs/dbraw/zinc/27/49/28/940274928.db2.gz FCUWDTIJZHXJOS-ZYHUDNBSSA-N 1 2 288.819 1.848 20 30 CDEDLO COC(=O)[C@H](C)C[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001208715675 940374248 /nfs/dbraw/zinc/37/42/48/940374248.db2.gz UAJXFKGBWHIVKM-PSASIEDQSA-N 1 2 255.339 1.070 20 30 CDEDLO COC(=O)[C@H](C)C[N@H+]1CCC2SC(=O)C=C2C1 ZINC001208715675 940374252 /nfs/dbraw/zinc/37/42/52/940374252.db2.gz UAJXFKGBWHIVKM-PSASIEDQSA-N 1 2 255.339 1.070 20 30 CDEDLO COC(=O)[C@H](C)C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001208715675 940374255 /nfs/dbraw/zinc/37/42/55/940374255.db2.gz UAJXFKGBWHIVKM-PSASIEDQSA-N 1 2 255.339 1.070 20 30 CDEDLO COC(=O)[C@H](C)C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001208715675 940374256 /nfs/dbraw/zinc/37/42/56/940374256.db2.gz UAJXFKGBWHIVKM-PSASIEDQSA-N 1 2 255.339 1.070 20 30 CDEDLO N#CCCN1CC[NH+](CCOC(=O)c2ccccc2)CC1 ZINC001209045397 940430269 /nfs/dbraw/zinc/43/02/69/940430269.db2.gz NZBIPCBYEUKBFR-UHFFFAOYSA-N 1 2 287.363 1.375 20 30 CDEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1CCCOC ZINC001209049381 940431337 /nfs/dbraw/zinc/43/13/37/940431337.db2.gz FXGHUPYYZKPNCB-AWEZNQCLSA-N 1 2 294.399 1.436 20 30 CDEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1CCCOC ZINC001209049381 940431338 /nfs/dbraw/zinc/43/13/38/940431338.db2.gz FXGHUPYYZKPNCB-AWEZNQCLSA-N 1 2 294.399 1.436 20 30 CDEDLO C=CCCCC(=O)N1CCC[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001209335604 940462660 /nfs/dbraw/zinc/46/26/60/940462660.db2.gz PAEDCGSGNSHGBF-ZDUSSCGKSA-N 1 2 292.383 1.815 20 30 CDEDLO C#CC[N@@H+](C)Cc1ccc(C(=O)OC)cc1OCC ZINC001209687475 940625974 /nfs/dbraw/zinc/62/59/74/940625974.db2.gz JZNMZANOIBDOFT-UHFFFAOYSA-N 1 2 261.321 1.937 20 30 CDEDLO C#CC[N@H+](C)Cc1ccc(C(=O)OC)cc1OCC ZINC001209687475 940625975 /nfs/dbraw/zinc/62/59/75/940625975.db2.gz JZNMZANOIBDOFT-UHFFFAOYSA-N 1 2 261.321 1.937 20 30 CDEDLO N#Cc1cnc(Nc2ccccc2C[NH+]2CCOCC2)cn1 ZINC001209925416 940651634 /nfs/dbraw/zinc/65/16/34/940651634.db2.gz BVHQEXMOYYGLHS-UHFFFAOYSA-N 1 2 295.346 1.924 20 30 CDEDLO N#CCCNCc1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001211454913 940755695 /nfs/dbraw/zinc/75/56/95/940755695.db2.gz QUGMIAMBBIKCOB-UHFFFAOYSA-N 1 2 294.318 1.926 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1-c1ccc(OC)c(C#N)c1 ZINC001214993712 940850743 /nfs/dbraw/zinc/85/07/43/940850743.db2.gz RWXIZTCTGUNWDA-UHFFFAOYSA-N 1 2 286.291 1.511 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)CCCC)[C@H]2C1 ZINC001217344471 940991238 /nfs/dbraw/zinc/99/12/38/940991238.db2.gz VQFRWOYXKSIZHH-HRCADAONSA-N 1 2 292.423 1.748 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)CCCC)[C@H]2C1 ZINC001217344471 940991242 /nfs/dbraw/zinc/99/12/42/940991242.db2.gz VQFRWOYXKSIZHH-HRCADAONSA-N 1 2 292.423 1.748 20 30 CDEDLO C#C[C@](C)([NH3+])C(=O)Nc1c(Cl)ccc(O)c1Cl ZINC001218924335 941288626 /nfs/dbraw/zinc/28/86/26/941288626.db2.gz CAKVVDWSZPXYCO-NSHDSACASA-N 1 2 273.119 1.988 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)CC2CCCCC2)[C@@H](O)C1 ZINC001220468207 941449655 /nfs/dbraw/zinc/44/96/55/941449655.db2.gz WJENBUDHLBJLBO-BMFZPTHFSA-N 1 2 292.423 1.387 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CC2CCCCC2)[C@@H](O)C1 ZINC001220468207 941449656 /nfs/dbraw/zinc/44/96/56/941449656.db2.gz WJENBUDHLBJLBO-BMFZPTHFSA-N 1 2 292.423 1.387 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc4ncccc4o3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226812878 942074683 /nfs/dbraw/zinc/07/46/83/942074683.db2.gz AMXMNNNXZKEVAJ-ADAFDVPTSA-N 1 2 273.292 1.214 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc4ncccc4o3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226812878 942074687 /nfs/dbraw/zinc/07/46/87/942074687.db2.gz AMXMNNNXZKEVAJ-ADAFDVPTSA-N 1 2 273.292 1.214 20 30 CDEDLO COC(=O)c1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cc1 ZINC001227559885 942188282 /nfs/dbraw/zinc/18/82/82/942188282.db2.gz TVBXAXILMNCJAU-ABWMFPBJSA-N 1 2 289.331 1.464 20 30 CDEDLO COC(=O)c1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cc1 ZINC001227559885 942188285 /nfs/dbraw/zinc/18/82/85/942188285.db2.gz TVBXAXILMNCJAU-ABWMFPBJSA-N 1 2 289.331 1.464 20 30 CDEDLO COC(=O)c1ccccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001227600152 942193222 /nfs/dbraw/zinc/19/32/22/942193222.db2.gz MFZBURMKASKCCP-HJTUNCCVSA-N 1 2 289.331 1.464 20 30 CDEDLO COC(=O)c1ccccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001227600152 942193224 /nfs/dbraw/zinc/19/32/24/942193224.db2.gz MFZBURMKASKCCP-HJTUNCCVSA-N 1 2 289.331 1.464 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(O)c(C#N)c3C#N)[C@H]1CC(=O)C2 ZINC001227620206 942197915 /nfs/dbraw/zinc/19/79/15/942197915.db2.gz YTCAYDTZRRBEHT-LQBHMHGISA-N 1 2 297.314 1.319 20 30 CDEDLO N#Cc1c(O)ccc(O[C@@H]2CCc3[nH+]ccn3C2)c1C#N ZINC001227621728 942198284 /nfs/dbraw/zinc/19/82/84/942198284.db2.gz FYXQEWSMPFFOHX-SNVBAGLBSA-N 1 2 280.287 1.726 20 30 CDEDLO Cc1cc(OC[C@@H]2C[N@H+](C)CCO2)c(C)cc1C#N ZINC001228147300 942276347 /nfs/dbraw/zinc/27/63/47/942276347.db2.gz LZLYIFTVOSUOKW-AWEZNQCLSA-N 1 2 260.337 1.885 20 30 CDEDLO Cc1cc(OC[C@@H]2C[N@@H+](C)CCO2)c(C)cc1C#N ZINC001228147300 942276351 /nfs/dbraw/zinc/27/63/51/942276351.db2.gz LZLYIFTVOSUOKW-AWEZNQCLSA-N 1 2 260.337 1.885 20 30 CDEDLO Cc1nc(F)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001228556080 942334461 /nfs/dbraw/zinc/33/44/61/942334461.db2.gz QKWMUTAXVDXVQM-OTDFPYDRSA-N 1 2 264.300 1.520 20 30 CDEDLO Cc1nc(F)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001228556080 942334464 /nfs/dbraw/zinc/33/44/64/942334464.db2.gz QKWMUTAXVDXVQM-OTDFPYDRSA-N 1 2 264.300 1.520 20 30 CDEDLO Cc1ncc2c(c1O[C@@H]1C[C@@H]3[C@H]4O[C@H]4[C@H](C1)[N@H+]3C)COC2 ZINC001229789543 942533063 /nfs/dbraw/zinc/53/30/63/942533063.db2.gz OMGFSFLKZBJJHN-UCHAVSLVSA-N 1 2 288.347 1.411 20 30 CDEDLO Cc1ncc2c(c1O[C@@H]1C[C@@H]3[C@H]4O[C@H]4[C@H](C1)[N@@H+]3C)COC2 ZINC001229789543 942533066 /nfs/dbraw/zinc/53/30/66/942533066.db2.gz OMGFSFLKZBJJHN-UCHAVSLVSA-N 1 2 288.347 1.411 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)OCCC(C)C ZINC001316611552 942587445 /nfs/dbraw/zinc/58/74/45/942587445.db2.gz ULADHJARQHWJLM-HUUCEWRRSA-N 1 2 280.412 1.604 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)OCCC(C)C ZINC001316611552 942587447 /nfs/dbraw/zinc/58/74/47/942587447.db2.gz ULADHJARQHWJLM-HUUCEWRRSA-N 1 2 280.412 1.604 20 30 CDEDLO CC(C)OCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230522028 942630680 /nfs/dbraw/zinc/63/06/80/942630680.db2.gz GGLOFYZBOMFQAL-HNNXBMFYSA-N 1 2 293.411 1.638 20 30 CDEDLO CC(C)OCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001230522028 942630684 /nfs/dbraw/zinc/63/06/84/942630684.db2.gz GGLOFYZBOMFQAL-HNNXBMFYSA-N 1 2 293.411 1.638 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)/C(C)=C\CC ZINC001230987968 942750837 /nfs/dbraw/zinc/75/08/37/942750837.db2.gz CIGSSUBUETZFIT-LVOZBFFPSA-N 1 2 293.411 1.178 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)/C(C)=C\CC ZINC001230987968 942750844 /nfs/dbraw/zinc/75/08/44/942750844.db2.gz CIGSSUBUETZFIT-LVOZBFFPSA-N 1 2 293.411 1.178 20 30 CDEDLO CCOc1nc(OC[C@H]2C[N@H+](C)CCO2)c(C#N)s1 ZINC001231090601 942782644 /nfs/dbraw/zinc/78/26/44/942782644.db2.gz HEKCIESVDXXJAQ-SECBINFHSA-N 1 2 283.353 1.123 20 30 CDEDLO CCOc1nc(OC[C@H]2C[N@@H+](C)CCO2)c(C#N)s1 ZINC001231090601 942782647 /nfs/dbraw/zinc/78/26/47/942782647.db2.gz HEKCIESVDXXJAQ-SECBINFHSA-N 1 2 283.353 1.123 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(=O)NCC=C ZINC001231121412 942792087 /nfs/dbraw/zinc/79/20/87/942792087.db2.gz CLTCBIWFWFOHDN-ZIAGYGMSSA-N 1 2 293.411 1.176 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(=O)NCC=C ZINC001231121412 942792089 /nfs/dbraw/zinc/79/20/89/942792089.db2.gz CLTCBIWFWFOHDN-ZIAGYGMSSA-N 1 2 293.411 1.176 20 30 CDEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CC(=O)CO3)CC2)c1 ZINC001232675531 943356017 /nfs/dbraw/zinc/35/60/17/943356017.db2.gz QBEMFFOTWIJMSQ-UHFFFAOYSA-N 1 2 286.331 1.588 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H](CO)CC2)c1 ZINC001232674010 943356335 /nfs/dbraw/zinc/35/63/35/943356335.db2.gz PNKOOYQMYCGQIA-LBPRGKRZSA-N 1 2 260.337 1.858 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H](CO)CC2)c1 ZINC001232674010 943356340 /nfs/dbraw/zinc/35/63/40/943356340.db2.gz PNKOOYQMYCGQIA-LBPRGKRZSA-N 1 2 260.337 1.858 20 30 CDEDLO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232678447 943358830 /nfs/dbraw/zinc/35/88/30/943358830.db2.gz ZQIRVJNUUZSGJC-CQSZACIVSA-N 1 2 273.336 1.316 20 30 CDEDLO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232678447 943358833 /nfs/dbraw/zinc/35/88/33/943358833.db2.gz ZQIRVJNUUZSGJC-CQSZACIVSA-N 1 2 273.336 1.316 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCc3nccn3CC2)c1 ZINC001232678606 943359206 /nfs/dbraw/zinc/35/92/06/943359206.db2.gz JLKIIJNULAEMFV-UHFFFAOYSA-N 1 2 268.320 1.519 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCc3nccn3CC2)c1 ZINC001232678606 943359214 /nfs/dbraw/zinc/35/92/14/943359214.db2.gz JLKIIJNULAEMFV-UHFFFAOYSA-N 1 2 268.320 1.519 20 30 CDEDLO N#Cc1cc(C[N@H+]2CC[C@@H](O)C2)ccc1Br ZINC001232892142 943426627 /nfs/dbraw/zinc/42/66/27/943426627.db2.gz AYESZILNWOOXFM-LLVKDONJSA-N 1 2 281.153 1.887 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](O)C2)ccc1Br ZINC001232892142 943426631 /nfs/dbraw/zinc/42/66/31/943426631.db2.gz AYESZILNWOOXFM-LLVKDONJSA-N 1 2 281.153 1.887 20 30 CDEDLO C[C@]1(CO)CC[N@H+](Cc2cc(F)ccc2C#N)C[C@@H]1O ZINC001232888409 943426885 /nfs/dbraw/zinc/42/68/85/943426885.db2.gz BNQDPRPOZQCHRX-LSDHHAIUSA-N 1 2 278.327 1.263 20 30 CDEDLO C[C@]1(CO)CC[N@@H+](Cc2cc(F)ccc2C#N)C[C@@H]1O ZINC001232888409 943426887 /nfs/dbraw/zinc/42/68/87/943426887.db2.gz BNQDPRPOZQCHRX-LSDHHAIUSA-N 1 2 278.327 1.263 20 30 CDEDLO Cc1ccc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c(C#N)c1 ZINC001232967606 943448496 /nfs/dbraw/zinc/44/84/96/943448496.db2.gz RSFDVSXHURPQCQ-MRXNPFEDSA-N 1 2 285.347 1.941 20 30 CDEDLO Cc1ccc(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)c(C#N)c1 ZINC001232967606 943448499 /nfs/dbraw/zinc/44/84/99/943448499.db2.gz RSFDVSXHURPQCQ-MRXNPFEDSA-N 1 2 285.347 1.941 20 30 CDEDLO N#Cc1ccc(C[N@H+]2C[C@H](F)C[C@H](CO)C2)c(O)c1 ZINC001233383240 943570157 /nfs/dbraw/zinc/57/01/57/943570157.db2.gz BOMSULDHFPNBBQ-WCQYABFASA-N 1 2 264.300 1.416 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)c(O)c1 ZINC001233383240 943570163 /nfs/dbraw/zinc/57/01/63/943570163.db2.gz BOMSULDHFPNBBQ-WCQYABFASA-N 1 2 264.300 1.416 20 30 CDEDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1O ZINC001233387388 943574348 /nfs/dbraw/zinc/57/43/48/943574348.db2.gz GWTXJZAMIZHRIU-ZDUSSCGKSA-N 1 2 290.319 1.028 20 30 CDEDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1ccc(C#N)cc1O ZINC001233387388 943574351 /nfs/dbraw/zinc/57/43/51/943574351.db2.gz GWTXJZAMIZHRIU-ZDUSSCGKSA-N 1 2 290.319 1.028 20 30 CDEDLO CCc1cc(C)c(C#N)c(OC[C@H]2C[N@H+](C)CCO2)n1 ZINC001233557378 943616549 /nfs/dbraw/zinc/61/65/49/943616549.db2.gz YCZBEKNDUVWKPS-CYBMUJFWSA-N 1 2 275.352 1.534 20 30 CDEDLO CCc1cc(C)c(C#N)c(OC[C@H]2C[N@@H+](C)CCO2)n1 ZINC001233557378 943616551 /nfs/dbraw/zinc/61/65/51/943616551.db2.gz YCZBEKNDUVWKPS-CYBMUJFWSA-N 1 2 275.352 1.534 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3n[nH]c4c3cccc4F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233616327 943626628 /nfs/dbraw/zinc/62/66/28/943626628.db2.gz PHEOTXKNJJXDLR-PEUDNIOHSA-N 1 2 289.310 1.693 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3n[nH]c4c3cccc4F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233616327 943626632 /nfs/dbraw/zinc/62/66/32/943626632.db2.gz PHEOTXKNJJXDLR-PEUDNIOHSA-N 1 2 289.310 1.693 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(C)CC ZINC001234594214 943907151 /nfs/dbraw/zinc/90/71/51/943907151.db2.gz LKISLZBGTCYPAU-AWEZNQCLSA-N 1 2 295.427 1.354 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(C)CC ZINC001234594214 943907155 /nfs/dbraw/zinc/90/71/55/943907155.db2.gz LKISLZBGTCYPAU-AWEZNQCLSA-N 1 2 295.427 1.354 20 30 CDEDLO C=CCN(C(=O)CCc1[nH+]ccn1C)[C@@H](C)COC ZINC001263860799 944008915 /nfs/dbraw/zinc/00/89/15/944008915.db2.gz HTTQIWOYGSGZIM-LBPRGKRZSA-N 1 2 265.357 1.402 20 30 CDEDLO CCCCCCCCNC(=O)N1CC[NH2+]C[C@H]1C(=O)OC ZINC001239273585 945390735 /nfs/dbraw/zinc/39/07/35/945390735.db2.gz FVSWOGAFMWANDS-ZDUSSCGKSA-N 1 2 299.415 1.503 20 30 CDEDLO Cc1[nH+]cn(C)c1NS(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260039138 945780997 /nfs/dbraw/zinc/78/09/97/945780997.db2.gz PYXRCJDQISATDH-UHFFFAOYSA-N 1 2 290.348 1.542 20 30 CDEDLO C#CCN(C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1)C(C)C ZINC001262289391 946569471 /nfs/dbraw/zinc/56/94/71/946569471.db2.gz CCRLUCIKVJOGPA-UHFFFAOYSA-N 1 2 287.363 1.185 20 30 CDEDLO N#C[C@@H]1CC[C@H]([NH+]2CC(N3CCC(F)(F)C3)C2)C1 ZINC001254670693 947584501 /nfs/dbraw/zinc/58/45/01/947584501.db2.gz LFBAFEXQFUTVIG-MNOVXSKESA-N 1 2 255.312 1.704 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(OC2COC2)n1 ZINC001255162226 947760323 /nfs/dbraw/zinc/76/03/23/947760323.db2.gz KODASGJBYCVTTE-NSHDSACASA-N 1 2 261.325 1.641 20 30 CDEDLO COC(=O)c1cccc(C[NH+]2CCN(CC#N)CC2)c1 ZINC001256394991 948299540 /nfs/dbraw/zinc/29/95/40/948299540.db2.gz QKEOZYOJINOBOV-UHFFFAOYSA-N 1 2 273.336 1.114 20 30 CDEDLO CC(C)(C)c1ccc(-c2noc([C@@H]([NH3+])CO)n2)c(C#N)c1 ZINC001247607672 948676424 /nfs/dbraw/zinc/67/64/24/948676424.db2.gz AKKBKFBJJIQOPW-LBPRGKRZSA-N 1 2 286.335 1.898 20 30 CDEDLO CCCC#Cc1nnc(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001258092981 948699649 /nfs/dbraw/zinc/69/96/49/948699649.db2.gz XLCMVXRUFOYSBG-BETUJISGSA-N 1 2 277.368 1.873 20 30 CDEDLO CCCC#Cc1nnc(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001258092981 948699658 /nfs/dbraw/zinc/69/96/58/948699658.db2.gz XLCMVXRUFOYSBG-BETUJISGSA-N 1 2 277.368 1.873 20 30 CDEDLO C=C[C@@](C)(O)CNc1cc(N2CCCCC2)nc[nH+]1 ZINC001252542570 951428968 /nfs/dbraw/zinc/42/89/68/951428968.db2.gz ICECYLDNWITFNK-CQSZACIVSA-N 1 2 262.357 1.816 20 30 CDEDLO C=C[C@@](C)(O)CNc1cc(N2CCCCC2)[nH+]cn1 ZINC001252542570 951428973 /nfs/dbraw/zinc/42/89/73/951428973.db2.gz ICECYLDNWITFNK-CQSZACIVSA-N 1 2 262.357 1.816 20 30 CDEDLO C=C[C@](C)(O)C[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC001252554622 951446752 /nfs/dbraw/zinc/44/67/52/951446752.db2.gz IQQJORRYGIFAIM-YPMHNXCESA-N 1 2 251.330 1.842 20 30 CDEDLO C=C[C@](C)(O)C[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC001252554622 951446761 /nfs/dbraw/zinc/44/67/61/951446761.db2.gz IQQJORRYGIFAIM-YPMHNXCESA-N 1 2 251.330 1.842 20 30 CDEDLO C=C[C@@](C)(O)CNc1ccc([NH+]2CCC(O)CC2)cc1 ZINC001252564380 951458915 /nfs/dbraw/zinc/45/89/15/951458915.db2.gz GETKIVUIDDJEKW-MRXNPFEDSA-N 1 2 276.380 1.997 20 30 CDEDLO C#CC[N@H+](CC1CC1)[C@H](C(=O)OC)C1(OC)CCC1 ZINC001325180401 953762855 /nfs/dbraw/zinc/76/28/55/953762855.db2.gz DPUNPYAMNSYXNV-CYBMUJFWSA-N 1 2 265.353 1.442 20 30 CDEDLO C#CC[N@@H+](CC1CC1)[C@H](C(=O)OC)C1(OC)CCC1 ZINC001325180401 953762867 /nfs/dbraw/zinc/76/28/67/953762867.db2.gz DPUNPYAMNSYXNV-CYBMUJFWSA-N 1 2 265.353 1.442 20 30 CDEDLO Cc1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)C#CC(C)C)C2)o1 ZINC000830559972 954098155 /nfs/dbraw/zinc/09/81/55/954098155.db2.gz YJNROSPUIWQHEY-AWEZNQCLSA-N 1 2 289.379 1.675 20 30 CDEDLO Cc1cnc(C[N@H+](C)[C@H]2CCN(C(=O)C#CC(C)C)C2)o1 ZINC000830559972 954098166 /nfs/dbraw/zinc/09/81/66/954098166.db2.gz YJNROSPUIWQHEY-AWEZNQCLSA-N 1 2 289.379 1.675 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](CC)SC)C1 ZINC001494541948 972251292 /nfs/dbraw/zinc/25/12/92/972251292.db2.gz IVJZPPBPRUOJEU-NSHDSACASA-N 1 2 276.833 1.929 20 30 CDEDLO CCOCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001367004037 957327288 /nfs/dbraw/zinc/32/72/88/957327288.db2.gz VHTLRJDRQVQNDV-HOTGVXAUSA-N 1 2 299.374 1.380 20 30 CDEDLO CCOCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001367004037 957327290 /nfs/dbraw/zinc/32/72/90/957327290.db2.gz VHTLRJDRQVQNDV-HOTGVXAUSA-N 1 2 299.374 1.380 20 30 CDEDLO C#CC[N@H+](CC1CC1)CN1C(=O)CC2(CCCCC2)C1=O ZINC001320146491 958967389 /nfs/dbraw/zinc/96/73/89/958967389.db2.gz BNFPWDGBAOZFRS-UHFFFAOYSA-N 1 2 288.391 1.999 20 30 CDEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)CC2(CCCCC2)C1=O ZINC001320146491 958967395 /nfs/dbraw/zinc/96/73/95/958967395.db2.gz BNFPWDGBAOZFRS-UHFFFAOYSA-N 1 2 288.391 1.999 20 30 CDEDLO C[C@H](C(=O)N1CCCC(C)(C)[C@@H]1C#N)n1cc[nH+]c1 ZINC001321161858 959625182 /nfs/dbraw/zinc/62/51/82/959625182.db2.gz RBURUYUAHYDAMW-NEPJUHHUSA-N 1 2 260.341 1.985 20 30 CDEDLO Cc1cc(NC(=O)N2CC[C@](O)(CC#N)C2)c(C)c[nH+]1 ZINC001434703853 961794982 /nfs/dbraw/zinc/79/49/82/961794982.db2.gz DWSYYTGKGFZPPR-CQSZACIVSA-N 1 2 274.324 1.003 20 30 CDEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1ccon1 ZINC001419954357 962286771 /nfs/dbraw/zinc/28/67/71/962286771.db2.gz OIHMKBKFRBEFIC-UHFFFAOYSA-N 1 2 298.346 1.750 20 30 CDEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1ccon1 ZINC001419954357 962286783 /nfs/dbraw/zinc/28/67/83/962286783.db2.gz OIHMKBKFRBEFIC-UHFFFAOYSA-N 1 2 298.346 1.750 20 30 CDEDLO C=CCCOCCNC(=O)CCc1[nH+]ccn1C ZINC001346710919 965223722 /nfs/dbraw/zinc/22/37/22/965223722.db2.gz NMLIDLAXWWHHIP-UHFFFAOYSA-N 1 2 251.330 1.062 20 30 CDEDLO C=C(CC(C)C)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC001347570384 965602096 /nfs/dbraw/zinc/60/20/96/965602096.db2.gz ARSPQHVVFFJRMU-LSDHHAIUSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C[C@@H](COC)[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC001348487969 966019444 /nfs/dbraw/zinc/01/94/44/966019444.db2.gz KBXVPLZQSKGJPI-BDAKNGLRSA-N 1 2 270.354 1.781 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1ccc(F)cn1 ZINC001445766400 966329429 /nfs/dbraw/zinc/32/94/29/966329429.db2.gz QKUGVTQNVCSNQZ-LLVKDONJSA-N 1 2 299.777 1.952 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1ccc(F)cn1 ZINC001445766400 966329438 /nfs/dbraw/zinc/32/94/38/966329438.db2.gz QKUGVTQNVCSNQZ-LLVKDONJSA-N 1 2 299.777 1.952 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(OCC#N)cc1 ZINC000847431030 967454143 /nfs/dbraw/zinc/45/41/43/967454143.db2.gz QQHRHYOVULWDIZ-LBPRGKRZSA-N 1 2 298.346 1.807 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(OCC#N)cc1 ZINC000847431030 967454152 /nfs/dbraw/zinc/45/41/52/967454152.db2.gz QQHRHYOVULWDIZ-LBPRGKRZSA-N 1 2 298.346 1.807 20 30 CDEDLO C=CC(C)(C)CC(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001100163491 967524679 /nfs/dbraw/zinc/52/46/79/967524679.db2.gz GWKVLOOTWCLVRH-UHFFFAOYSA-N 1 2 276.384 1.940 20 30 CDEDLO C=CCNC(=S)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001200302240 967889697 /nfs/dbraw/zinc/88/96/97/967889697.db2.gz HOTFRPIOCUUKTL-GFCCVEGCSA-N 1 2 276.409 1.701 20 30 CDEDLO C#CCCCC(=O)NCCN(CC)c1cc[nH+]c(C)n1 ZINC001100508105 968541607 /nfs/dbraw/zinc/54/16/07/968541607.db2.gz QITSYRWIWGACNK-UHFFFAOYSA-N 1 2 274.368 1.531 20 30 CDEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC=C(C)C1 ZINC001356152845 969344653 /nfs/dbraw/zinc/34/46/53/969344653.db2.gz OWEZUNITEWOLHP-UHFFFAOYSA-N 1 2 298.394 1.945 20 30 CDEDLO COC(=O)/C=C/c1ccc(C[NH2+]CC2(C#N)CC2)o1 ZINC000848908472 969347582 /nfs/dbraw/zinc/34/75/82/969347582.db2.gz VIEZCIFRFCKSPS-SNAWJCMRSA-N 1 2 260.293 1.859 20 30 CDEDLO C[C@@H](c1nc(-c2nc[nH]n2)no1)[NH+]1CCC(C#N)CC1 ZINC001473131599 970756764 /nfs/dbraw/zinc/75/67/64/970756764.db2.gz HCZBRIWQYQNMTQ-QMMMGPOBSA-N 1 2 273.300 1.151 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cn(CC)nn1 ZINC001374549925 974012155 /nfs/dbraw/zinc/01/21/55/974012155.db2.gz VNNMWEXNJVDLFM-UHFFFAOYSA-N 1 2 285.779 1.054 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cn(CC)nn1 ZINC001374549925 974012169 /nfs/dbraw/zinc/01/21/69/974012169.db2.gz VNNMWEXNJVDLFM-UHFFFAOYSA-N 1 2 285.779 1.054 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ncccc1OC ZINC001401807160 975927770 /nfs/dbraw/zinc/92/77/70/975927770.db2.gz ZQXQFWJJFKCCEM-LLVKDONJSA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ncccc1OC ZINC001401807160 975927775 /nfs/dbraw/zinc/92/77/75/975927775.db2.gz ZQXQFWJJFKCCEM-LLVKDONJSA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1oc(CC)nc1C ZINC001390846315 976556985 /nfs/dbraw/zinc/55/69/85/976556985.db2.gz VVVQKHKBQHTBLU-UHFFFAOYSA-N 1 2 285.775 1.960 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1oc(CC)nc1C ZINC001390846315 976556998 /nfs/dbraw/zinc/55/69/98/976556998.db2.gz VVVQKHKBQHTBLU-UHFFFAOYSA-N 1 2 285.775 1.960 20 30 CDEDLO C[C@H](C#N)C(=O)NC1C[NH+](Cc2ccc3ncccc3c2)C1 ZINC001400328131 976987276 /nfs/dbraw/zinc/98/72/76/976987276.db2.gz FEOZBWGHSVTDRF-GFCCVEGCSA-N 1 2 294.358 1.695 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)Cc1ccccc1CC#N ZINC000810754569 1163292458 /nfs/dbraw/zinc/29/24/58/1163292458.db2.gz IHTZWDPBSNWWFT-UHFFFAOYSA-N 1 2 268.320 1.345 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)/C=C\c1ccccc1C#N ZINC000810754286 1163292533 /nfs/dbraw/zinc/29/25/33/1163292533.db2.gz WNEFWLNZDXNFPT-SREVYHEPSA-N 1 2 266.304 1.621 20 30 CDEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001132565690 1163374618 /nfs/dbraw/zinc/37/46/18/1163374618.db2.gz YHTFWVNKXBLMII-MNOVXSKESA-N 1 2 292.383 1.611 20 30 CDEDLO CC1(C)C(=O)N(C[NH+]2CCC(C#N)CC2)[C@H]1[C@H]1CCCO1 ZINC000811740396 1163527391 /nfs/dbraw/zinc/52/73/91/1163527391.db2.gz VLFQVIUBVCYNBY-KGLIPLIRSA-N 1 2 291.395 1.595 20 30 CDEDLO C=CCCCC(=O)NC[C@H]([NH2+]Cc1c[nH]nn1)C1CC1 ZINC001575092993 1171110139 /nfs/dbraw/zinc/11/01/39/1171110139.db2.gz CKPYXQZWVZFEEZ-ZDUSSCGKSA-N 1 2 277.372 1.145 20 30 CDEDLO C[C@@H](CC#N)[NH2+]Cc1csc(-c2cnn(C)c2)n1 ZINC000600144550 341979925 /nfs/dbraw/zinc/97/99/25/341979925.db2.gz LOSMRNSYAILBCD-VIFPVBQESA-N 1 2 261.354 1.935 20 30 CDEDLO CNc1ccc(C#N)cc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000586818180 342471294 /nfs/dbraw/zinc/47/12/94/342471294.db2.gz MXWRBFOYLFVGEB-GFCCVEGCSA-N 1 2 295.346 1.998 20 30 CDEDLO C=C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)C(=O)OC ZINC000589655685 342511300 /nfs/dbraw/zinc/51/13/00/342511300.db2.gz GNMJONMFUKZPSB-OCCSQVGLSA-N 1 2 292.354 1.969 20 30 CDEDLO Cc1cc(NC(=O)c2cc(O)cc(C#N)c2)cc[nH+]1 ZINC000589163845 342498643 /nfs/dbraw/zinc/49/86/43/342498643.db2.gz FMCADURZIGAMAY-UHFFFAOYSA-N 1 2 253.261 1.642 20 30 CDEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H]1CCOC1=O ZINC000298179934 260146726 /nfs/dbraw/zinc/14/67/26/260146726.db2.gz RLGQYBSWFBWVAW-CQSZACIVSA-N 1 2 261.321 1.999 20 30 CDEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H]1CCOC1=O ZINC000298179934 260146728 /nfs/dbraw/zinc/14/67/28/260146728.db2.gz RLGQYBSWFBWVAW-CQSZACIVSA-N 1 2 261.321 1.999 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3ncc(F)cn3)CC2)nc1 ZINC000565164800 365599588 /nfs/dbraw/zinc/59/95/88/365599588.db2.gz OBVHRCXRCRYWBK-UHFFFAOYSA-N 1 2 298.325 1.205 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000590747469 342587079 /nfs/dbraw/zinc/58/70/79/342587079.db2.gz IYOBPAZYOIVTKK-RYUDHWBXSA-N 1 2 282.384 1.328 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000590747469 342587080 /nfs/dbraw/zinc/58/70/80/342587080.db2.gz IYOBPAZYOIVTKK-RYUDHWBXSA-N 1 2 282.384 1.328 20 30 CDEDLO CC1(C)C[C@@]1(C#N)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000333018743 342076535 /nfs/dbraw/zinc/07/65/35/342076535.db2.gz VNACWNMXRYERLC-YGRLFVJLSA-N 1 2 258.325 1.254 20 30 CDEDLO CCc1cc(N(C)CCCc2[nH]nc(N)c2C#N)nc[nH+]1 ZINC000609287506 342100281 /nfs/dbraw/zinc/10/02/81/342100281.db2.gz IDYOGYBHXIJADI-UHFFFAOYSA-N 1 2 285.355 1.115 20 30 CDEDLO N#CCN1CCC(Nc2cc(NC3CC3)[nH+]cn2)CC1 ZINC000591146606 342618452 /nfs/dbraw/zinc/61/84/52/342618452.db2.gz OAUXWMBSTJLPBF-UHFFFAOYSA-N 1 2 272.356 1.451 20 30 CDEDLO N#CCN1CCC(Nc2cc(NC3CC3)nc[nH+]2)CC1 ZINC000591146606 342618453 /nfs/dbraw/zinc/61/84/53/342618453.db2.gz OAUXWMBSTJLPBF-UHFFFAOYSA-N 1 2 272.356 1.451 20 30 CDEDLO N#Cc1cncnc1NCC[NH+]1Cc2ccccc2C1 ZINC000591902869 342654638 /nfs/dbraw/zinc/65/46/38/342654638.db2.gz DZPMAIPPVOMBNY-UHFFFAOYSA-N 1 2 265.320 1.198 20 30 CDEDLO CC[C@@H]1CN(c2cc(C)[nH+]cc2C#N)C[C@@H](C)S1(=O)=O ZINC000591825087 342647737 /nfs/dbraw/zinc/64/77/37/342647737.db2.gz KRABYOLDDDHEAC-DGCLKSJQSA-N 1 2 293.392 1.664 20 30 CDEDLO CC[C@@H]1CN(c2cc(C)[nH+]cc2C#N)C[C@@H](C)[S@]1=O ZINC000591825076 342647851 /nfs/dbraw/zinc/64/78/51/342647851.db2.gz DAUARMAZDHMQEA-MJCKAROISA-N 1 2 277.393 1.998 20 30 CDEDLO Cc1ccc2nc(C[N@@H+]3CC[C@@](O)(CC#N)C3)cn2c1 ZINC000592145892 342673170 /nfs/dbraw/zinc/67/31/70/342673170.db2.gz ASMVSBGYCIWJEV-HNNXBMFYSA-N 1 2 270.336 1.493 20 30 CDEDLO Cc1ccc2nc(C[N@H+]3CC[C@@](O)(CC#N)C3)cn2c1 ZINC000592145892 342673171 /nfs/dbraw/zinc/67/31/71/342673171.db2.gz ASMVSBGYCIWJEV-HNNXBMFYSA-N 1 2 270.336 1.493 20 30 CDEDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2ccncc2C#N)C1 ZINC000592066388 342663300 /nfs/dbraw/zinc/66/33/00/342663300.db2.gz ZHSHZQMMOGCDFE-AWEZNQCLSA-N 1 2 272.352 1.444 20 30 CDEDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592066388 342663301 /nfs/dbraw/zinc/66/33/01/342663301.db2.gz ZHSHZQMMOGCDFE-AWEZNQCLSA-N 1 2 272.352 1.444 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000592152091 342669255 /nfs/dbraw/zinc/66/92/55/342669255.db2.gz UDMZDCFLWMGVBP-CYBMUJFWSA-N 1 2 279.271 1.584 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000592152091 342669256 /nfs/dbraw/zinc/66/92/56/342669256.db2.gz UDMZDCFLWMGVBP-CYBMUJFWSA-N 1 2 279.271 1.584 20 30 CDEDLO CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592152522 342669314 /nfs/dbraw/zinc/66/93/14/342669314.db2.gz YOVDVSHCDKAGER-GOEBONIOSA-N 1 2 288.347 1.641 20 30 CDEDLO CCOC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592152522 342669316 /nfs/dbraw/zinc/66/93/16/342669316.db2.gz YOVDVSHCDKAGER-GOEBONIOSA-N 1 2 288.347 1.641 20 30 CDEDLO COC(=O)c1ccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)c(F)c1 ZINC000592152547 342669397 /nfs/dbraw/zinc/66/93/97/342669397.db2.gz ZHTQQSUPBRQDDX-HNNXBMFYSA-N 1 2 292.310 1.463 20 30 CDEDLO COC(=O)c1ccc(C[N@H+]2CC[C@@](O)(CC#N)C2)c(F)c1 ZINC000592152547 342669399 /nfs/dbraw/zinc/66/93/99/342669399.db2.gz ZHTQQSUPBRQDDX-HNNXBMFYSA-N 1 2 292.310 1.463 20 30 CDEDLO CC(C)[C@H](CNC(=O)[C@@]1(C#N)C[C@H]1C)[NH+]1CCOCC1 ZINC000448634081 361849009 /nfs/dbraw/zinc/84/90/09/361849009.db2.gz RUQWJOIMGIFTCD-VNHYZAJKSA-N 1 2 279.384 1.009 20 30 CDEDLO CN1CC[N@H+](Cc2cccc(OCCCC#N)c2)CC1=O ZINC000127341774 342157681 /nfs/dbraw/zinc/15/76/81/342157681.db2.gz UKLXUEDPPRAQDY-UHFFFAOYSA-N 1 2 287.363 1.643 20 30 CDEDLO CN1CC[N@@H+](Cc2cccc(OCCCC#N)c2)CC1=O ZINC000127341774 342157682 /nfs/dbraw/zinc/15/76/82/342157682.db2.gz UKLXUEDPPRAQDY-UHFFFAOYSA-N 1 2 287.363 1.643 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440486449 361876050 /nfs/dbraw/zinc/87/60/50/361876050.db2.gz LUNUZGNVMJTKPO-LBPRGKRZSA-N 1 2 276.384 1.723 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440486449 361876057 /nfs/dbraw/zinc/87/60/57/361876057.db2.gz LUNUZGNVMJTKPO-LBPRGKRZSA-N 1 2 276.384 1.723 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000289929159 361904167 /nfs/dbraw/zinc/90/41/67/361904167.db2.gz VZEMSQIDYANRGB-UHFFFAOYSA-N 1 2 297.318 1.811 20 30 CDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000594024683 342867451 /nfs/dbraw/zinc/86/74/51/342867451.db2.gz UWLDBCHLGXSOFR-CXAGYDPISA-N 1 2 298.390 1.697 20 30 CDEDLO N#C[C@H]1CCC[C@@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000332897436 539049891 /nfs/dbraw/zinc/04/98/91/539049891.db2.gz MVDBCBMPYQIJCO-PWSUYJOCSA-N 1 2 259.313 1.101 20 30 CDEDLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000593972815 342859473 /nfs/dbraw/zinc/85/94/73/342859473.db2.gz VMGCAGRCMURDBP-CQSZACIVSA-N 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N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCC[NH+]2CCOCC2)c1 ZINC000081106705 342365552 /nfs/dbraw/zinc/36/55/52/342365552.db2.gz KJVQIZVKKAACIO-JKSUJKDBSA-N 1 2 299.374 1.110 20 30 CDEDLO C=CCCSCCNc1nc[nH+]c(N)c1OC ZINC000596413646 343315802 /nfs/dbraw/zinc/31/58/02/343315802.db2.gz QHAQOPUREOSBLV-UHFFFAOYSA-N 1 2 254.359 1.211 20 30 CDEDLO C=CCCSCCNc1[nH+]cnc(N)c1OC ZINC000596413646 343315803 /nfs/dbraw/zinc/31/58/03/343315803.db2.gz QHAQOPUREOSBLV-UHFFFAOYSA-N 1 2 254.359 1.211 20 30 CDEDLO COc1ccc(C[N@@H+]2CCc3n[nH]cc3C2)cc1C#N ZINC000091078361 342399772 /nfs/dbraw/zinc/39/97/72/342399772.db2.gz CINADGNOLCYACC-UHFFFAOYSA-N 1 2 268.320 1.848 20 30 CDEDLO COc1ccc(C[N@H+]2CCc3n[nH]cc3C2)cc1C#N ZINC000091078361 342399773 /nfs/dbraw/zinc/39/97/73/342399773.db2.gz CINADGNOLCYACC-UHFFFAOYSA-N 1 2 268.320 1.848 20 30 CDEDLO Cc1cc[nH+]cc1Cc1noc(C2(C#N)CCOCC2)n1 ZINC000596617518 343357348 /nfs/dbraw/zinc/35/73/48/343357348.db2.gz SYBBMBIZNQYQOA-UHFFFAOYSA-N 1 2 284.319 1.936 20 30 CDEDLO COCc1csc(C[NH+]2CCN(CC#N)CC2)c1 ZINC000596994293 343427108 /nfs/dbraw/zinc/42/71/08/343427108.db2.gz CXRUAYTUAYIIBX-UHFFFAOYSA-N 1 2 265.382 1.536 20 30 CDEDLO N#CC1(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000444725222 362200217 /nfs/dbraw/zinc/20/02/17/362200217.db2.gz MQGTZDIYNDPZDB-ZJUUUORDSA-N 1 2 262.275 1.925 20 30 CDEDLO N#CC1(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000444725222 362200224 /nfs/dbraw/zinc/20/02/24/362200224.db2.gz MQGTZDIYNDPZDB-ZJUUUORDSA-N 1 2 262.275 1.925 20 30 CDEDLO N#Cc1cncnc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000565874682 365746928 /nfs/dbraw/zinc/74/69/28/365746928.db2.gz RRTSVPMCJIHGNQ-UHFFFAOYSA-N 1 2 294.362 1.768 20 30 CDEDLO COCC[N@H+](CCC#N)CCC(=O)N1CCC[C@H]1C ZINC000072689155 349811808 /nfs/dbraw/zinc/81/18/08/349811808.db2.gz HOYDZSPPLBLGNQ-CYBMUJFWSA-N 1 2 267.373 1.249 20 30 CDEDLO COCC[N@@H+](CCC#N)CCC(=O)N1CCC[C@H]1C ZINC000072689155 349811810 /nfs/dbraw/zinc/81/18/10/349811810.db2.gz HOYDZSPPLBLGNQ-CYBMUJFWSA-N 1 2 267.373 1.249 20 30 CDEDLO C[C@H](C#N)CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC000597436639 343536320 /nfs/dbraw/zinc/53/63/20/343536320.db2.gz HJOIGQQQKZAYSR-RAIGVLPGSA-N 1 2 272.352 1.674 20 30 CDEDLO CC(C)(CC#N)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000597761283 343617754 /nfs/dbraw/zinc/61/77/54/343617754.db2.gz AXRANHGZMHKCPC-NSHDSACASA-N 1 2 260.341 1.502 20 30 CDEDLO C[C@@H](C#N)N(C(=O)c1ccc2[nH+]ccn2c1)C1CC1 ZINC000598130764 343722497 /nfs/dbraw/zinc/72/24/97/343722497.db2.gz VBFANUVIXKBMHD-JTQLQIEISA-N 1 2 254.293 1.851 20 30 CDEDLO C[C@@H](C#N)N(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000598131850 343722807 /nfs/dbraw/zinc/72/28/07/343722807.db2.gz NIGHSVGIIKWROS-QWRGUYRKSA-N 1 2 258.325 1.349 20 30 CDEDLO C=C[C@H]([NH2+]CCCNC(=O)c1cccc(F)c1)C(=O)OC ZINC000619701922 349858332 /nfs/dbraw/zinc/85/83/32/349858332.db2.gz ZZPSYZGIKQTTKE-ZDUSSCGKSA-N 1 2 294.326 1.263 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000619721895 349872165 /nfs/dbraw/zinc/87/21/65/349872165.db2.gz 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/nfs/dbraw/zinc/97/03/73/343970373.db2.gz ACLBCQVSCFTUFL-CYBMUJFWSA-N 1 2 272.352 1.184 20 30 CDEDLO C[N@H+]1CCOC[C@H]1CNc1nc2c(cc1C#N)CCC2 ZINC000599159601 343970376 /nfs/dbraw/zinc/97/03/76/343970376.db2.gz ACLBCQVSCFTUFL-CYBMUJFWSA-N 1 2 272.352 1.184 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000085826059 344161988 /nfs/dbraw/zinc/16/19/88/344161988.db2.gz NGKUISGTXAZPNS-FZMZJTMJSA-N 1 2 277.372 1.284 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000085826059 344161990 /nfs/dbraw/zinc/16/19/90/344161990.db2.gz NGKUISGTXAZPNS-FZMZJTMJSA-N 1 2 277.372 1.284 20 30 CDEDLO CC(C)(C#N)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601726650 344238352 /nfs/dbraw/zinc/23/83/52/344238352.db2.gz DTEKRFXEVOTABL-UHFFFAOYSA-N 1 2 287.363 1.586 20 30 CDEDLO C[C@@H](CC#N)N(C)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000602092069 344343338 /nfs/dbraw/zinc/34/33/38/344343338.db2.gz CPWIKCSKPGHLMN-NSHDSACASA-N 1 2 284.319 1.952 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccc(F)c(Cl)c1 ZINC000602334368 344403391 /nfs/dbraw/zinc/40/33/91/344403391.db2.gz QQKHTWAPSLRRMS-AWEZNQCLSA-N 1 2 297.761 1.982 20 30 CDEDLO C[C@@]1(C#N)CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000612159379 347061571 /nfs/dbraw/zinc/06/15/71/347061571.db2.gz AONCHSLSXZMGAE-AWEZNQCLSA-N 1 2 290.323 1.382 20 30 CDEDLO C[C@@]1(C#N)CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000612159379 347061575 /nfs/dbraw/zinc/06/15/75/347061575.db2.gz AONCHSLSXZMGAE-AWEZNQCLSA-N 1 2 290.323 1.382 20 30 CDEDLO Cc1n[nH]cc1C[N@@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000602937712 344664674 /nfs/dbraw/zinc/66/46/74/344664674.db2.gz LRIOAXOHVXVMRA-DOMZBBRYSA-N 1 2 291.399 1.593 20 30 CDEDLO Cc1n[nH]cc1C[N@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000602937712 344664676 /nfs/dbraw/zinc/66/46/76/344664676.db2.gz LRIOAXOHVXVMRA-DOMZBBRYSA-N 1 2 291.399 1.593 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NC(=O)NC1CCCCC1 ZINC000602867987 344639495 /nfs/dbraw/zinc/63/94/95/344639495.db2.gz GMLPSEDDFDKOBL-JTQLQIEISA-N 1 2 266.345 1.037 20 30 CDEDLO CCCC[C@@H]([NH2+][C@H](C)CC#N)C(=O)Nc1cc(C)on1 ZINC000602868253 344640132 /nfs/dbraw/zinc/64/01/32/344640132.db2.gz ILMJCBMJIFJANA-ZYHUDNBSSA-N 1 2 278.356 1.794 20 30 CDEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)CC#N)c1 ZINC000602869371 344640646 /nfs/dbraw/zinc/64/06/46/344640646.db2.gz NQMCYVPSYSREGF-MNOVXSKESA-N 1 2 288.351 1.864 20 30 CDEDLO Cn1cccc1C(=O)N1CC[NH+](CCCC#N)CC1 ZINC000603849768 344840108 /nfs/dbraw/zinc/84/01/08/344840108.db2.gz JGMOHAYMGBBDQL-UHFFFAOYSA-N 1 2 260.341 1.087 20 30 CDEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000609538059 345595489 /nfs/dbraw/zinc/59/54/89/345595489.db2.gz HLSOTAVCYRLBKE-CQSZACIVSA-N 1 2 261.373 1.086 20 30 CDEDLO C=CC[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C1 ZINC000617783614 345970876 /nfs/dbraw/zinc/97/08/76/345970876.db2.gz CTGWVFVQNNTCBB-GJZGRUSLSA-N 1 2 279.428 1.437 20 30 CDEDLO N#CC1(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCC1 ZINC000609873428 346027800 /nfs/dbraw/zinc/02/78/00/346027800.db2.gz PMIQIACABLKAGU-CYBMUJFWSA-N 1 2 277.368 1.003 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000127534361 187313782 /nfs/dbraw/zinc/31/37/82/187313782.db2.gz FQIXGULKZFUUEX-GFCCVEGCSA-N 1 2 297.399 1.230 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000127534361 187313783 /nfs/dbraw/zinc/31/37/83/187313783.db2.gz FQIXGULKZFUUEX-GFCCVEGCSA-N 1 2 297.399 1.230 20 30 CDEDLO C[C@H]1C[N@H+](CCNc2ccc(F)cc2C#N)CCO1 ZINC000610277528 346240745 /nfs/dbraw/zinc/24/07/45/346240745.db2.gz BJRXBWGFNJZFOK-NSHDSACASA-N 1 2 263.316 1.830 20 30 CDEDLO C[C@H]1C[N@@H+](CCNc2ccc(F)cc2C#N)CCO1 ZINC000610277528 346240748 /nfs/dbraw/zinc/24/07/48/346240748.db2.gz BJRXBWGFNJZFOK-NSHDSACASA-N 1 2 263.316 1.830 20 30 CDEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H]2CCN(C(C)C)C2=O)CC1 ZINC000610481140 346291195 /nfs/dbraw/zinc/29/11/95/346291195.db2.gz KFDURIAOMJDYRF-GJZGRUSLSA-N 1 2 292.427 1.161 20 30 CDEDLO COC[C@@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000610615589 346323405 /nfs/dbraw/zinc/32/34/05/346323405.db2.gz UDNVYKGOBKLOBC-NSHDSACASA-N 1 2 279.365 1.669 20 30 CDEDLO COC[C@@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000610615589 346323410 /nfs/dbraw/zinc/32/34/10/346323410.db2.gz UDNVYKGOBKLOBC-NSHDSACASA-N 1 2 279.365 1.669 20 30 CDEDLO C[N@H+](CCC#N)Cc1ccccc1N1CCOCC1 ZINC000053138917 346377676 /nfs/dbraw/zinc/37/76/76/346377676.db2.gz OMNYHOTYMJOXFL-UHFFFAOYSA-N 1 2 259.353 1.869 20 30 CDEDLO C[N@@H+](CCC#N)Cc1ccccc1N1CCOCC1 ZINC000053138917 346377680 /nfs/dbraw/zinc/37/76/80/346377680.db2.gz OMNYHOTYMJOXFL-UHFFFAOYSA-N 1 2 259.353 1.869 20 30 CDEDLO C=C[C@](C)(O)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000613545208 347775883 /nfs/dbraw/zinc/77/58/83/347775883.db2.gz NARPTPVBMXFOOJ-WFASDCNBSA-N 1 2 294.420 1.890 20 30 CDEDLO C=C[C@H]([NH2+][C@@H]1CCc2cc(OC)ccc2C1)C(=O)OC ZINC000619703527 347954772 /nfs/dbraw/zinc/95/47/72/347954772.db2.gz MUVNLPGRCQNOGZ-HIFRSBDPSA-N 1 2 275.348 1.870 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000619718827 348189060 /nfs/dbraw/zinc/18/90/60/348189060.db2.gz AIXGBMCPWMRBPP-CYBMUJFWSA-N 1 2 280.368 1.191 20 30 CDEDLO Cc1cc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)n(CCC#N)n1 ZINC000615721255 348651936 /nfs/dbraw/zinc/65/19/36/348651936.db2.gz OJAHTLPIKUKCAM-LBPRGKRZSA-N 1 2 298.350 1.503 20 30 CDEDLO CN(C[C@H](O)C[N@H+](C)CCC#N)c1nc2ccccc2[nH]1 ZINC000414166450 362929409 /nfs/dbraw/zinc/92/94/09/362929409.db2.gz RBJBNPNYVVQFEE-GFCCVEGCSA-N 1 2 287.367 1.205 20 30 CDEDLO CN(C[C@H](O)C[N@@H+](C)CCC#N)c1nc2ccccc2[nH]1 ZINC000414166450 362929411 /nfs/dbraw/zinc/92/94/11/362929411.db2.gz RBJBNPNYVVQFEE-GFCCVEGCSA-N 1 2 287.367 1.205 20 30 CDEDLO NC(=[NH+]OCC(=O)N1CCCC1)c1cccc(Cl)c1 ZINC000263862201 362947952 /nfs/dbraw/zinc/94/79/52/362947952.db2.gz IPIGGZGBUMCCKH-UHFFFAOYSA-N 1 2 281.743 1.599 20 30 CDEDLO Cn1c[nH+]c2c1CCN(Cc1cccc(C#N)n1)C2 ZINC000602433434 350108945 /nfs/dbraw/zinc/10/89/45/350108945.db2.gz STQHJUUDCMVWDZ-UHFFFAOYSA-N 1 2 253.309 1.245 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2cccc(C#N)n2)C[C@@H](C)O1 ZINC000602627841 350133209 /nfs/dbraw/zinc/13/32/09/350133209.db2.gz UXPSUIUYJYNMGY-RISCZKNCSA-N 1 2 261.325 1.189 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)C[C@@H](C)O1 ZINC000602627841 350133211 /nfs/dbraw/zinc/13/32/11/350133211.db2.gz UXPSUIUYJYNMGY-RISCZKNCSA-N 1 2 261.325 1.189 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2cccnc2C)nn1 ZINC000623703301 350173000 /nfs/dbraw/zinc/17/30/00/350173000.db2.gz JJDXLFCABMPYAI-UHFFFAOYSA-N 1 2 257.341 1.847 20 30 CDEDLO Cc1nc(NC[C@H]2C[NH+]3CCN2CC3)c(Cl)cc1C#N ZINC000292352600 198255376 /nfs/dbraw/zinc/25/53/76/198255376.db2.gz CECFAXAWEYXTJD-LBPRGKRZSA-N 1 2 291.786 1.327 20 30 CDEDLO CCCC[N@H+](CC(N)=O)Cc1cc(F)ccc1C#N ZINC000158477784 188378578 /nfs/dbraw/zinc/37/85/78/188378578.db2.gz MSOSZXIPFKFJLI-UHFFFAOYSA-N 1 2 263.316 1.785 20 30 CDEDLO CCCC[N@@H+](CC(N)=O)Cc1cc(F)ccc1C#N ZINC000158477784 188378580 /nfs/dbraw/zinc/37/85/80/188378580.db2.gz MSOSZXIPFKFJLI-UHFFFAOYSA-N 1 2 263.316 1.785 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccccc1C(=O)OC ZINC000569985312 363274298 /nfs/dbraw/zinc/27/42/98/363274298.db2.gz JVHYHZCMIWXJMM-LLVKDONJSA-N 1 2 289.335 1.694 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H]1CCO ZINC000336815363 356284787 /nfs/dbraw/zinc/28/47/87/356284787.db2.gz ZLJDTPMYZGRIEZ-NSHDSACASA-N 1 2 279.365 1.405 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H]1CCO ZINC000336815363 356284789 /nfs/dbraw/zinc/28/47/89/356284789.db2.gz ZLJDTPMYZGRIEZ-NSHDSACASA-N 1 2 279.365 1.405 20 30 CDEDLO C#CC[C@H]([NH2+]Cc1nc(N)nc(N(C)C)n1)c1ccccc1 ZINC000298906644 356960138 /nfs/dbraw/zinc/96/01/38/356960138.db2.gz MVAQETSUQYGFJM-ZDUSSCGKSA-N 1 2 296.378 1.374 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000299408764 357056999 /nfs/dbraw/zinc/05/69/99/357056999.db2.gz VRIRIMCSBWQURJ-ZDUSSCGKSA-N 1 2 288.778 1.913 20 30 CDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCCCc1cccc(F)c1 ZINC000180381918 357267197 /nfs/dbraw/zinc/26/71/97/357267197.db2.gz GNIDLEFMCZOTGH-UHFFFAOYSA-N 1 2 295.358 1.962 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)C[C@H](C)O1 ZINC000282460306 357350666 /nfs/dbraw/zinc/35/06/66/357350666.db2.gz VNKIMRZDSBAUNJ-SWLSCSKDSA-N 1 2 290.363 1.803 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)C[C@H](C)O1 ZINC000282460306 357350670 /nfs/dbraw/zinc/35/06/70/357350670.db2.gz VNKIMRZDSBAUNJ-SWLSCSKDSA-N 1 2 290.363 1.803 20 30 CDEDLO CCn1ccnc1[C@@H](C)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000566243108 357438128 /nfs/dbraw/zinc/43/81/28/357438128.db2.gz OWSSLMATSRUORO-LLVKDONJSA-N 1 2 295.350 1.668 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1cncs1 ZINC000493482297 366401674 /nfs/dbraw/zinc/40/16/74/366401674.db2.gz NFEIQAJALLHHTP-QMAVJUDZSA-N 1 2 264.354 1.116 20 30 CDEDLO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(C#N)s2)[C@H](C)C1 ZINC000356911931 358577143 /nfs/dbraw/zinc/57/71/43/358577143.db2.gz ODMRCHITVNDKSE-MNOVXSKESA-N 1 2 293.392 1.147 20 30 CDEDLO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(C#N)s2)[C@H](C)C1 ZINC000356911931 358577145 /nfs/dbraw/zinc/57/71/45/358577145.db2.gz ODMRCHITVNDKSE-MNOVXSKESA-N 1 2 293.392 1.147 20 30 CDEDLO N#Cc1cc(C[NH+]2CCN(c3cccnn3)CC2)ccc1F ZINC000119744720 359000215 /nfs/dbraw/zinc/00/02/15/359000215.db2.gz KYGDKSPOPFEKMJ-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO C=C1CC[NH+](CC(=O)NC2(C(=O)OC)CCCCC2)CC1 ZINC000264461434 359309504 /nfs/dbraw/zinc/30/95/04/359309504.db2.gz KPHWUNYDBZTJBH-UHFFFAOYSA-N 1 2 294.395 1.631 20 30 CDEDLO C=CC[N@@H+](CCc1ccco1)CCS(=O)(=O)CC ZINC000272223521 359451888 /nfs/dbraw/zinc/45/18/88/359451888.db2.gz CINSMDKQVQRZPR-UHFFFAOYSA-N 1 2 271.382 1.745 20 30 CDEDLO C=CC[N@H+](CCc1ccco1)CCS(=O)(=O)CC ZINC000272223521 359451894 /nfs/dbraw/zinc/45/18/94/359451894.db2.gz CINSMDKQVQRZPR-UHFFFAOYSA-N 1 2 271.382 1.745 20 30 CDEDLO C#C[C@H](C)NC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000274831208 192799143 /nfs/dbraw/zinc/79/91/43/192799143.db2.gz RWEKMTYOCFCSEH-NSHDSACASA-N 1 2 256.309 1.464 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000335312688 359802130 /nfs/dbraw/zinc/80/21/30/359802130.db2.gz BFKJMUUUYMVJNY-IAQYHMDHSA-N 1 2 253.305 1.518 20 30 CDEDLO C=CC[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000335312688 359802133 /nfs/dbraw/zinc/80/21/33/359802133.db2.gz BFKJMUUUYMVJNY-IAQYHMDHSA-N 1 2 253.305 1.518 20 30 CDEDLO Cc1noc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n1 ZINC000348093342 359828689 /nfs/dbraw/zinc/82/86/89/359828689.db2.gz SODIEQQCBNWZAO-BHDSKKPTSA-N 1 2 293.371 1.472 20 30 CDEDLO CC#CC[N@@H+]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC000495988742 366590388 /nfs/dbraw/zinc/59/03/88/366590388.db2.gz MOPJSFQWAYUDKA-UHFFFAOYSA-N 1 2 280.368 1.331 20 30 CDEDLO CC#CC[N@H+]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC000495988742 366590394 /nfs/dbraw/zinc/59/03/94/366590394.db2.gz MOPJSFQWAYUDKA-UHFFFAOYSA-N 1 2 280.368 1.331 20 30 CDEDLO C#CCN(C(=O)NCc1c[nH+]ccc1OC)C1CC1 ZINC000297967448 200310439 /nfs/dbraw/zinc/31/04/39/200310439.db2.gz LOWVCKIEGZNWCE-UHFFFAOYSA-N 1 2 259.309 1.397 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc3ccccn23)C1=O ZINC000337203778 360025187 /nfs/dbraw/zinc/02/51/87/360025187.db2.gz GVVLBJRKWGSVDW-CQSZACIVSA-N 1 2 284.363 1.553 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc3ccccn23)C1=O ZINC000337203778 360025190 /nfs/dbraw/zinc/02/51/90/360025190.db2.gz GVVLBJRKWGSVDW-CQSZACIVSA-N 1 2 284.363 1.553 20 30 CDEDLO Cc1cccc(C[N@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)n1 ZINC000348576357 360421281 /nfs/dbraw/zinc/42/12/81/360421281.db2.gz KAYZBPHFURADCX-MRXNPFEDSA-N 1 2 286.379 1.630 20 30 CDEDLO Cc1cccc(C[N@@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)n1 ZINC000348576357 360421286 /nfs/dbraw/zinc/42/12/86/360421286.db2.gz KAYZBPHFURADCX-MRXNPFEDSA-N 1 2 286.379 1.630 20 30 CDEDLO C=CCOCCCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178375287 189111550 /nfs/dbraw/zinc/11/15/50/189111550.db2.gz PRVXDGFJVCQRNR-UHFFFAOYSA-N 1 2 273.336 1.933 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccc(F)cc1Cl ZINC000563220340 360900743 /nfs/dbraw/zinc/90/07/43/360900743.db2.gz LGUCGDVTOGCCQV-CQSZACIVSA-N 1 2 297.761 1.982 20 30 CDEDLO Cc1cccc([C@H](CNC(=O)CC#N)[NH+]2CCOCC2)c1 ZINC000129888633 360892437 /nfs/dbraw/zinc/89/24/37/360892437.db2.gz QLLGYEHWZZYFBY-HNNXBMFYSA-N 1 2 287.363 1.398 20 30 CDEDLO Cc1cccc2nc(C[N@@H+](C)CC(C)(C)C#N)cc(=O)n12 ZINC000433303935 361230333 /nfs/dbraw/zinc/23/03/33/361230333.db2.gz MHHPIQSLELXBBS-UHFFFAOYSA-N 1 2 284.363 1.985 20 30 CDEDLO Cc1cccc2nc(C[N@H+](C)CC(C)(C)C#N)cc(=O)n12 ZINC000433303935 361230337 /nfs/dbraw/zinc/23/03/37/361230337.db2.gz MHHPIQSLELXBBS-UHFFFAOYSA-N 1 2 284.363 1.985 20 30 CDEDLO C=CCCN(C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433941436 361280438 /nfs/dbraw/zinc/28/04/38/361280438.db2.gz QBFZNFIEXDDNAC-UHFFFAOYSA-N 1 2 267.373 1.069 20 30 CDEDLO O=C(CN1CCn2cc[nH+]c2C1)NC(C1CC1)C1CC1 ZINC000329336214 361482245 /nfs/dbraw/zinc/48/22/45/361482245.db2.gz LPZBNCWULUAJKX-UHFFFAOYSA-N 1 2 274.368 1.844 20 30 CDEDLO O=C(N[C@H]1CNC(=O)C1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329475119 361523536 /nfs/dbraw/zinc/52/35/36/361523536.db2.gz BBOKHDJUGUKVPM-ZYHUDNBSSA-N 1 2 281.356 1.315 20 30 CDEDLO O=C(N[C@H]1CNC(=O)C1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329475119 361523539 /nfs/dbraw/zinc/52/35/39/361523539.db2.gz BBOKHDJUGUKVPM-ZYHUDNBSSA-N 1 2 281.356 1.315 20 30 CDEDLO CN(C)c1nccc(C[NH2+]Cc2ccc(C#N)o2)n1 ZINC000345690268 361534310 /nfs/dbraw/zinc/53/43/10/361534310.db2.gz HHKLYLBSYLFQBO-UHFFFAOYSA-N 1 2 257.297 1.297 20 30 CDEDLO CO[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000267750505 361617870 /nfs/dbraw/zinc/61/78/70/361617870.db2.gz DOBGSKQTPIQZRE-LBPRGKRZSA-N 1 2 293.754 1.871 20 30 CDEDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000267750505 361617872 /nfs/dbraw/zinc/61/78/72/361617872.db2.gz DOBGSKQTPIQZRE-LBPRGKRZSA-N 1 2 293.754 1.871 20 30 CDEDLO CCOC(=O)Cn1nc(C)c(C[N@H+](C)C[C@H](C)C#N)c1C ZINC000437584192 361680863 /nfs/dbraw/zinc/68/08/63/361680863.db2.gz UYAITRHDLXJJBP-LLVKDONJSA-N 1 2 292.383 1.655 20 30 CDEDLO CCOC(=O)Cn1nc(C)c(C[N@@H+](C)C[C@H](C)C#N)c1C ZINC000437584192 361680868 /nfs/dbraw/zinc/68/08/68/361680868.db2.gz UYAITRHDLXJJBP-LLVKDONJSA-N 1 2 292.383 1.655 20 30 CDEDLO Cc1nc(C)n(C[C@H]2C[N@H+]([C@@H](C)CCC#N)CCO2)n1 ZINC000566564731 370765355 /nfs/dbraw/zinc/76/53/55/370765355.db2.gz UCHFLZZXCFRWFS-SMDDNHRTSA-N 1 2 277.372 1.288 20 30 CDEDLO Cc1nc(C)n(C[C@H]2C[N@@H+]([C@@H](C)CCC#N)CCO2)n1 ZINC000566564731 370765360 /nfs/dbraw/zinc/76/53/60/370765360.db2.gz UCHFLZZXCFRWFS-SMDDNHRTSA-N 1 2 277.372 1.288 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCOCC2CCC2)nn1 ZINC000641179247 365168902 /nfs/dbraw/zinc/16/89/02/365168902.db2.gz HKCNISDCDQDZQI-UHFFFAOYSA-N 1 2 262.357 1.208 20 30 CDEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1nccs1 ZINC000566687612 370792448 /nfs/dbraw/zinc/79/24/48/370792448.db2.gz OPSBJORFLYCKOQ-IUCAKERBSA-N 1 2 252.343 1.752 20 30 CDEDLO Cn1cc([C@H](CO)[NH2+]Cc2ccc(Cl)cc2C#N)cn1 ZINC000275167530 366939778 /nfs/dbraw/zinc/93/97/78/366939778.db2.gz KJBYRCHODGHZMZ-AWEZNQCLSA-N 1 2 290.754 1.768 20 30 CDEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C(C)(C)C1 ZINC000271069603 366965188 /nfs/dbraw/zinc/96/51/88/366965188.db2.gz VFOZBJKQSSSTFX-UHFFFAOYSA-N 1 2 293.392 1.273 20 30 CDEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C(C)(C)C1 ZINC000271069603 366965193 /nfs/dbraw/zinc/96/51/93/366965193.db2.gz VFOZBJKQSSSTFX-UHFFFAOYSA-N 1 2 293.392 1.273 20 30 CDEDLO C[N@H+](CCC#N)CCC(=O)NCC(=O)c1ccccc1 ZINC000358063203 367402128 /nfs/dbraw/zinc/40/21/28/367402128.db2.gz JQDFYBXCPYPNRV-UHFFFAOYSA-N 1 2 273.336 1.221 20 30 CDEDLO C[N@@H+](CCC#N)CCC(=O)NCC(=O)c1ccccc1 ZINC000358063203 367402134 /nfs/dbraw/zinc/40/21/34/367402134.db2.gz JQDFYBXCPYPNRV-UHFFFAOYSA-N 1 2 273.336 1.221 20 30 CDEDLO CS(=O)(=O)CC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000122807283 367790968 /nfs/dbraw/zinc/79/09/68/367790968.db2.gz SVEAQSBWNKACNM-UHFFFAOYSA-N 1 2 278.377 1.567 20 30 CDEDLO CS(=O)(=O)CC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000122807283 367790977 /nfs/dbraw/zinc/79/09/77/367790977.db2.gz SVEAQSBWNKACNM-UHFFFAOYSA-N 1 2 278.377 1.567 20 30 CDEDLO C=C(C)COCCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000358835467 367909347 /nfs/dbraw/zinc/90/93/47/367909347.db2.gz XRZUSYMBYFYJOU-UHFFFAOYSA-N 1 2 264.329 1.001 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000545163375 369151346 /nfs/dbraw/zinc/15/13/46/369151346.db2.gz LNDHLFSPMDPSGD-CYBMUJFWSA-N 1 2 259.357 1.859 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000370229493 284155151 /nfs/dbraw/zinc/15/51/51/284155151.db2.gz BPCSNTYJFOHZIH-GJZGRUSLSA-N 1 2 288.347 1.711 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000370229493 284155155 /nfs/dbraw/zinc/15/51/55/284155155.db2.gz BPCSNTYJFOHZIH-GJZGRUSLSA-N 1 2 288.347 1.711 20 30 CDEDLO N#Cc1nc(N2CC(n3cc[nH+]c3)C2)ccc1Cl ZINC000572543852 370222713 /nfs/dbraw/zinc/22/27/13/370222713.db2.gz HVNYPEBQUAWJRC-UHFFFAOYSA-N 1 2 259.700 1.864 20 30 CDEDLO C[N@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160553314 370443140 /nfs/dbraw/zinc/44/31/40/370443140.db2.gz JHTXPFYBALSLAE-LBPRGKRZSA-N 1 2 282.340 1.316 20 30 CDEDLO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160553314 370443145 /nfs/dbraw/zinc/44/31/45/370443145.db2.gz JHTXPFYBALSLAE-LBPRGKRZSA-N 1 2 282.340 1.316 20 30 CDEDLO CCNC(=O)NC(=O)[C@@H](C)[N@H+](CCC#N)CC(C)(C)C ZINC000156172321 371043353 /nfs/dbraw/zinc/04/33/53/371043353.db2.gz SUGGHTROQYXHMK-LLVKDONJSA-N 1 2 282.388 1.482 20 30 CDEDLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CCC#N)CC(C)(C)C ZINC000156172321 371043357 /nfs/dbraw/zinc/04/33/57/371043357.db2.gz SUGGHTROQYXHMK-LLVKDONJSA-N 1 2 282.388 1.482 20 30 CDEDLO Cc1onc(CC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1C#N ZINC000331677975 204065978 /nfs/dbraw/zinc/06/59/78/204065978.db2.gz VNPPIYXFNSNDOQ-ZDUSSCGKSA-N 1 2 299.334 1.874 20 30 CDEDLO CC#CCCNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000574067089 371696518 /nfs/dbraw/zinc/69/65/18/371696518.db2.gz DFVBCYLHKUKUDV-UHFFFAOYSA-N 1 2 291.420 1.989 20 30 CDEDLO C=CCOCC[N@@H+]1CCNC(=O)[C@H]1c1cccc(C)c1 ZINC000574054753 371696892 /nfs/dbraw/zinc/69/68/92/371696892.db2.gz XPJLSXDMMNMVPV-OAHLLOKOSA-N 1 2 274.364 1.671 20 30 CDEDLO C=CCOCC[N@H+]1CCNC(=O)[C@H]1c1cccc(C)c1 ZINC000574054753 371696895 /nfs/dbraw/zinc/69/68/95/371696895.db2.gz XPJLSXDMMNMVPV-OAHLLOKOSA-N 1 2 274.364 1.671 20 30 CDEDLO Cn1c[nH+]c2cc(Nc3nccc(C#N)c3[N+](=O)[O-])ccc21 ZINC000348345291 373111753 /nfs/dbraw/zinc/11/17/53/373111753.db2.gz DPLVPIWNHNUQJU-UHFFFAOYSA-N 1 2 294.274 1.914 20 30 CDEDLO COC[C@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H](C)O1 ZINC000189373174 373276344 /nfs/dbraw/zinc/27/63/44/373276344.db2.gz SPKPBCCYADHOGA-CZUORRHYSA-N 1 2 277.339 1.913 20 30 CDEDLO COC[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H](C)O1 ZINC000189373174 373276350 /nfs/dbraw/zinc/27/63/50/373276350.db2.gz SPKPBCCYADHOGA-CZUORRHYSA-N 1 2 277.339 1.913 20 30 CDEDLO C=CC[N@@H+](CCOC)[C@H](C)c1nnnn1-c1ccccc1 ZINC000191145427 373458690 /nfs/dbraw/zinc/45/86/90/373458690.db2.gz FPBQOQFOKKLGBP-CYBMUJFWSA-N 1 2 287.367 1.858 20 30 CDEDLO C=CC[N@H+](CCOC)[C@H](C)c1nnnn1-c1ccccc1 ZINC000191145427 373458697 /nfs/dbraw/zinc/45/86/97/373458697.db2.gz FPBQOQFOKKLGBP-CYBMUJFWSA-N 1 2 287.367 1.858 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNc1ccc(F)cc1C#N ZINC000361007648 374031755 /nfs/dbraw/zinc/03/17/55/374031755.db2.gz AUDBLCWPKAOMHC-NSHDSACASA-N 1 2 263.316 1.830 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNc1ccc(F)cc1C#N ZINC000361007648 374031764 /nfs/dbraw/zinc/03/17/64/374031764.db2.gz AUDBLCWPKAOMHC-NSHDSACASA-N 1 2 263.316 1.830 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000342283671 374034707 /nfs/dbraw/zinc/03/47/07/374034707.db2.gz LAMVZDAYDVBXNE-IIAWOOMASA-N 1 2 280.412 1.910 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000342278654 374077068 /nfs/dbraw/zinc/07/70/68/374077068.db2.gz FDUZLMYBHYXFEW-GZBFAFLISA-N 1 2 279.384 1.248 20 30 CDEDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1CCOc1ccccc1C#N ZINC000104064201 374174263 /nfs/dbraw/zinc/17/42/63/374174263.db2.gz QWIXLVROALMLKH-OAHLLOKOSA-N 1 2 287.363 1.393 20 30 CDEDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1CCOc1ccccc1C#N ZINC000104064201 374174269 /nfs/dbraw/zinc/17/42/69/374174269.db2.gz QWIXLVROALMLKH-OAHLLOKOSA-N 1 2 287.363 1.393 20 30 CDEDLO C=CCOc1cccnc1C(=O)NCCNc1cccc[nH+]1 ZINC000342425463 374192701 /nfs/dbraw/zinc/19/27/01/374192701.db2.gz NXUPZNFTMQHOFG-UHFFFAOYSA-N 1 2 298.346 1.883 20 30 CDEDLO Cc1nc(N2CC[NH+](C[C@@H](C)O)CC2)c(Cl)cc1C#N ZINC000292533223 374302986 /nfs/dbraw/zinc/30/29/86/374302986.db2.gz HWMUOKPDFZPXEN-SNVBAGLBSA-N 1 2 294.786 1.418 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000353118267 374991151 /nfs/dbraw/zinc/99/11/51/374991151.db2.gz LKPSJPZDGKTSFZ-BYCMXARLSA-N 1 2 290.388 1.738 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000353118267 374991156 /nfs/dbraw/zinc/99/11/56/374991156.db2.gz LKPSJPZDGKTSFZ-BYCMXARLSA-N 1 2 290.388 1.738 20 30 CDEDLO COCC[N@@H+]1CCN(C(=O)c2cc(C#N)oc2C)C[C@@H]1C ZINC000280734637 375018168 /nfs/dbraw/zinc/01/81/68/375018168.db2.gz WGFTVBVWGSBFGT-NSHDSACASA-N 1 2 291.351 1.252 20 30 CDEDLO COCC[N@H+]1CCN(C(=O)c2cc(C#N)oc2C)C[C@@H]1C ZINC000280734637 375018179 /nfs/dbraw/zinc/01/81/79/375018179.db2.gz WGFTVBVWGSBFGT-NSHDSACASA-N 1 2 291.351 1.252 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCOC[C@@H](C)C1 ZINC000332284028 375021840 /nfs/dbraw/zinc/02/18/40/375021840.db2.gz RTSDCBYRRKNEJA-WFASDCNBSA-N 1 2 288.347 1.741 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCOC[C@@H](C)C1 ZINC000332284028 375021843 /nfs/dbraw/zinc/02/18/43/375021843.db2.gz RTSDCBYRRKNEJA-WFASDCNBSA-N 1 2 288.347 1.741 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3nc(C)cc(C#N)n3)CC2)on1 ZINC000280920614 375030512 /nfs/dbraw/zinc/03/05/12/375030512.db2.gz GAONNMRYPNJPGQ-UHFFFAOYSA-N 1 2 298.350 1.275 20 30 CDEDLO CNc1ccc(C#N)cc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000332619277 375038580 /nfs/dbraw/zinc/03/85/80/375038580.db2.gz NLFVJNFQXUPTLP-LBPRGKRZSA-N 1 2 295.346 1.998 20 30 CDEDLO CC[N@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCNC1=O ZINC000282464280 375088183 /nfs/dbraw/zinc/08/81/83/375088183.db2.gz UEYOLOYVTBEJKW-CYBMUJFWSA-N 1 2 261.300 1.408 20 30 CDEDLO CC[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCNC1=O ZINC000282464280 375088188 /nfs/dbraw/zinc/08/81/88/375088188.db2.gz UEYOLOYVTBEJKW-CYBMUJFWSA-N 1 2 261.300 1.408 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000049001058 375390785 /nfs/dbraw/zinc/39/07/85/375390785.db2.gz QRQKMRWJZLITBM-LLVKDONJSA-N 1 2 256.309 1.286 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000049001058 375390788 /nfs/dbraw/zinc/39/07/88/375390788.db2.gz QRQKMRWJZLITBM-LLVKDONJSA-N 1 2 256.309 1.286 20 30 CDEDLO CNC(=O)C[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162866261 375537117 /nfs/dbraw/zinc/53/71/17/375537117.db2.gz UAYBMLKIBOIKHK-UHFFFAOYSA-N 1 2 251.717 1.389 20 30 CDEDLO CNC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162866261 375537124 /nfs/dbraw/zinc/53/71/24/375537124.db2.gz UAYBMLKIBOIKHK-UHFFFAOYSA-N 1 2 251.717 1.389 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000532080607 375828404 /nfs/dbraw/zinc/82/84/04/375828404.db2.gz AARDQGDFSYANFJ-ZDUSSCGKSA-N 1 2 266.385 1.592 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000532080607 375828406 /nfs/dbraw/zinc/82/84/06/375828406.db2.gz AARDQGDFSYANFJ-ZDUSSCGKSA-N 1 2 266.385 1.592 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000123805028 375858864 /nfs/dbraw/zinc/85/88/64/375858864.db2.gz DQSZAFQQPNBITQ-RQJABVFESA-N 1 2 281.400 1.539 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000123805028 375858872 /nfs/dbraw/zinc/85/88/72/375858872.db2.gz DQSZAFQQPNBITQ-RQJABVFESA-N 1 2 281.400 1.539 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000048995728 375913306 /nfs/dbraw/zinc/91/33/06/375913306.db2.gz RUYBUYZZLREXOL-UHFFFAOYSA-N 1 2 291.376 1.027 20 30 CDEDLO Cn1cc(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cn1 ZINC000328864680 375990885 /nfs/dbraw/zinc/99/08/85/375990885.db2.gz NAZZMXRRSNOOIJ-JTQLQIEISA-N 1 2 274.328 1.189 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000330546208 376214792 /nfs/dbraw/zinc/21/47/92/376214792.db2.gz VFSCMBWZURBDOT-FRRDWIJNSA-N 1 2 294.399 1.630 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000330546208 376214797 /nfs/dbraw/zinc/21/47/97/376214797.db2.gz VFSCMBWZURBDOT-FRRDWIJNSA-N 1 2 294.399 1.630 20 30 CDEDLO CC[N@@H+](Cc1cc(=O)n2cccc(C)c2n1)C[C@H](C)C#N ZINC000066424412 376657542 /nfs/dbraw/zinc/65/75/42/376657542.db2.gz GDSBQOKPDYNDRD-GFCCVEGCSA-N 1 2 284.363 1.985 20 30 CDEDLO CC[N@H+](Cc1cc(=O)n2cccc(C)c2n1)C[C@H](C)C#N ZINC000066424412 376657547 /nfs/dbraw/zinc/65/75/47/376657547.db2.gz GDSBQOKPDYNDRD-GFCCVEGCSA-N 1 2 284.363 1.985 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435576821 248174302 /nfs/dbraw/zinc/17/43/02/248174302.db2.gz CJYZGJTZELHTPV-UHFFFAOYSA-N 1 2 280.331 1.938 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000073871925 376858264 /nfs/dbraw/zinc/85/82/64/376858264.db2.gz CCDZUIWBZXBSDM-ZDUSSCGKSA-N 1 2 268.401 1.910 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000073871925 376858270 /nfs/dbraw/zinc/85/82/70/376858270.db2.gz CCDZUIWBZXBSDM-ZDUSSCGKSA-N 1 2 268.401 1.910 20 30 CDEDLO N#CCN1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000073100603 377189258 /nfs/dbraw/zinc/18/92/58/377189258.db2.gz GUCYUBCFBQZCPM-UHFFFAOYSA-N 1 2 295.346 1.154 20 30 CDEDLO CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000172398906 377506359 /nfs/dbraw/zinc/50/63/59/377506359.db2.gz HYERIYISLLNFCS-BLLLJJGKSA-N 1 2 287.363 1.456 20 30 CDEDLO CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000172398906 377506367 /nfs/dbraw/zinc/50/63/67/377506367.db2.gz HYERIYISLLNFCS-BLLLJJGKSA-N 1 2 287.363 1.456 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCc1ccccc1F ZINC000076185555 377467003 /nfs/dbraw/zinc/46/70/03/377467003.db2.gz KKJTZCZPWWSCKA-UHFFFAOYSA-N 1 2 258.296 1.010 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCc1ccc(C)c(F)c1 ZINC000076185656 377467178 /nfs/dbraw/zinc/46/71/78/377467178.db2.gz LEWIYJLXXCXPQG-UHFFFAOYSA-N 1 2 272.323 1.319 20 30 CDEDLO N#CCNC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000076667983 377473511 /nfs/dbraw/zinc/47/35/11/377473511.db2.gz PCFJGARXBXJDHZ-UHFFFAOYSA-N 1 2 283.331 1.922 20 30 CDEDLO N#CCNC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000076667983 377473523 /nfs/dbraw/zinc/47/35/23/377473523.db2.gz PCFJGARXBXJDHZ-UHFFFAOYSA-N 1 2 283.331 1.922 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000572336145 377894830 /nfs/dbraw/zinc/89/48/30/377894830.db2.gz HRFSELUZUUYFMT-OLZOCXBDSA-N 1 2 290.367 1.290 20 30 CDEDLO CCCCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000078681264 377844296 /nfs/dbraw/zinc/84/42/96/377844296.db2.gz SXQCJJSLMCESST-UHFFFAOYSA-N 1 2 253.390 1.724 20 30 CDEDLO COc1ccc([C@@H](C)C[NH+]2CC(O)(CC#N)C2)cc1 ZINC000190979444 377951310 /nfs/dbraw/zinc/95/13/10/377951310.db2.gz NSTKXPZRMZVLCE-LBPRGKRZSA-N 1 2 260.337 1.759 20 30 CDEDLO CC#CC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000283130898 378086331 /nfs/dbraw/zinc/08/63/31/378086331.db2.gz IPEFMIHXBQVHHS-CQSZACIVSA-N 1 2 286.375 1.924 20 30 CDEDLO C#CCN(Cc1ccccc1)C(=O)Cc1[nH]c[nH+]c1C ZINC000286559843 378219972 /nfs/dbraw/zinc/21/99/72/378219972.db2.gz PKRUSHDIMLLNRC-UHFFFAOYSA-N 1 2 267.332 1.923 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000192224990 378177942 /nfs/dbraw/zinc/17/79/42/378177942.db2.gz LGABSRQXOXFBPA-LBPRGKRZSA-N 1 2 288.347 1.740 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000192224990 378177946 /nfs/dbraw/zinc/17/79/46/378177946.db2.gz LGABSRQXOXFBPA-LBPRGKRZSA-N 1 2 288.347 1.740 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000192238338 378179067 /nfs/dbraw/zinc/17/90/67/378179067.db2.gz LCAKUCMCIPFYGE-OAHLLOKOSA-N 1 2 285.391 1.194 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000192238338 378179072 /nfs/dbraw/zinc/17/90/72/378179072.db2.gz LCAKUCMCIPFYGE-OAHLLOKOSA-N 1 2 285.391 1.194 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)C(=O)N(C)C)c1 ZINC000097496542 378523453 /nfs/dbraw/zinc/52/34/53/378523453.db2.gz PDVGWEUOQKMUNW-GFCCVEGCSA-N 1 2 287.363 1.015 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)C(=O)N(C)C)c1 ZINC000097496542 378523455 /nfs/dbraw/zinc/52/34/55/378523455.db2.gz PDVGWEUOQKMUNW-GFCCVEGCSA-N 1 2 287.363 1.015 20 30 CDEDLO C=CCCCS(=O)(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000293138312 378539810 /nfs/dbraw/zinc/53/98/10/378539810.db2.gz WJSBFXFHIZVOAU-GFCCVEGCSA-N 1 2 286.397 1.768 20 30 CDEDLO C#C[C@@H](C)NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000185977763 378832157 /nfs/dbraw/zinc/83/21/57/378832157.db2.gz OTJCCRCYUNAAIV-GFCCVEGCSA-N 1 2 292.408 1.382 20 30 CDEDLO C#C[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000185977763 378832166 /nfs/dbraw/zinc/83/21/66/378832166.db2.gz OTJCCRCYUNAAIV-GFCCVEGCSA-N 1 2 292.408 1.382 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000343533168 378923587 /nfs/dbraw/zinc/92/35/87/378923587.db2.gz PXWVAZFCPIDHSV-UONOGXRCSA-N 1 2 267.417 1.483 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc3cccc(C)n23)C1=O ZINC000343599931 378923896 /nfs/dbraw/zinc/92/38/96/378923896.db2.gz IDWCLYBLPYGVIT-HNNXBMFYSA-N 1 2 298.390 1.861 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc3cccc(C)n23)C1=O ZINC000343599931 378923902 /nfs/dbraw/zinc/92/39/02/378923902.db2.gz IDWCLYBLPYGVIT-HNNXBMFYSA-N 1 2 298.390 1.861 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(OC)n2)n1 ZINC000278725937 194123862 /nfs/dbraw/zinc/12/38/62/194123862.db2.gz AKIGJWQZCBKSMZ-UHFFFAOYSA-N 1 2 284.363 1.942 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccc(OC)n2)n1 ZINC000278725937 194123865 /nfs/dbraw/zinc/12/38/65/194123865.db2.gz AKIGJWQZCBKSMZ-UHFFFAOYSA-N 1 2 284.363 1.942 20 30 CDEDLO N#Cc1ccc(/C=C/C(=O)N2CCn3cc[nH+]c3C2)cc1 ZINC000491867363 253107521 /nfs/dbraw/zinc/10/75/21/253107521.db2.gz KKTJCJQHJPUHPN-AATRIKPKSA-N 1 2 278.315 1.810 20 30 CDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)/C=C\c3cccc(C#N)c3)C[C@@H]21 ZINC000492128379 253160938 /nfs/dbraw/zinc/16/09/38/253160938.db2.gz FBZUNHSOUFLWHH-LGZALOBFSA-N 1 2 297.358 1.113 20 30 CDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)/C=C\c3cccc(C#N)c3)C[C@@H]21 ZINC000492128379 253160940 /nfs/dbraw/zinc/16/09/40/253160940.db2.gz FBZUNHSOUFLWHH-LGZALOBFSA-N 1 2 297.358 1.113 20 30 CDEDLO COc1cc(CNC(=O)C=Cc2c[nH]c[nH+]2)ccc1C#N ZINC000493466041 253468356 /nfs/dbraw/zinc/46/83/56/253468356.db2.gz ZLHBLDCOHQFEDY-PLNGDYQASA-N 1 2 282.303 1.620 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000347047401 533112817 /nfs/dbraw/zinc/11/28/17/533112817.db2.gz KUNYBJMEOCXQRU-ZDUSSCGKSA-N 1 2 297.362 1.138 20 30 CDEDLO Cc1cc(N2CCC3(COC(=O)N3)CC2)c(C#N)c[nH+]1 ZINC000497305908 254059760 /nfs/dbraw/zinc/05/97/60/254059760.db2.gz MJZBTTANYRNDPJ-UHFFFAOYSA-N 1 2 272.308 1.341 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnn(C(C)(C)C)c2)C1=O ZINC000281241758 195164013 /nfs/dbraw/zinc/16/40/13/195164013.db2.gz LTRUTUKXGIVANW-AWEZNQCLSA-N 1 2 290.411 1.857 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnn(C(C)(C)C)c2)C1=O ZINC000281241758 195164015 /nfs/dbraw/zinc/16/40/15/195164015.db2.gz LTRUTUKXGIVANW-AWEZNQCLSA-N 1 2 290.411 1.857 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(COC)o2)C1=O ZINC000281246451 195166899 /nfs/dbraw/zinc/16/68/99/195166899.db2.gz MELPNHRZDHGYOZ-AWEZNQCLSA-N 1 2 278.352 1.645 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(COC)o2)C1=O ZINC000281246451 195166901 /nfs/dbraw/zinc/16/69/01/195166901.db2.gz MELPNHRZDHGYOZ-AWEZNQCLSA-N 1 2 278.352 1.645 20 30 CDEDLO C=CCN1CC[C@H]([NH2+][C@H](CO)c2c(F)cccc2F)C1=O ZINC000281258531 195171092 /nfs/dbraw/zinc/17/10/92/195171092.db2.gz HGULOXUNVQRVDG-QWHCGFSZSA-N 1 2 296.317 1.375 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187049121 260026252 /nfs/dbraw/zinc/02/62/52/260026252.db2.gz RVBNWHLZGZAUBU-ZDUSSCGKSA-N 1 2 254.374 1.114 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000187049121 260026254 /nfs/dbraw/zinc/02/62/54/260026254.db2.gz RVBNWHLZGZAUBU-ZDUSSCGKSA-N 1 2 254.374 1.114 20 30 CDEDLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000187024876 390167896 /nfs/dbraw/zinc/16/78/96/390167896.db2.gz ZHLUTNQPLKKSLF-CYBMUJFWSA-N 1 2 287.363 1.490 20 30 CDEDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000187024876 390167897 /nfs/dbraw/zinc/16/78/97/390167897.db2.gz ZHLUTNQPLKKSLF-CYBMUJFWSA-N 1 2 287.363 1.490 20 30 CDEDLO N#CCc1ccc(NC(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000119746103 390651899 /nfs/dbraw/zinc/65/18/99/390651899.db2.gz SHNHLHJNOPTGEB-UHFFFAOYSA-N 1 2 255.281 1.797 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000015547700 390667060 /nfs/dbraw/zinc/66/70/60/390667060.db2.gz ZVPRMVWDESOPNP-JTQLQIEISA-N 1 2 293.392 1.679 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000015547700 390667065 /nfs/dbraw/zinc/66/70/65/390667065.db2.gz ZVPRMVWDESOPNP-JTQLQIEISA-N 1 2 293.392 1.679 20 30 CDEDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)O[NH+]=C(N)CCO ZINC000121383317 390885364 /nfs/dbraw/zinc/88/53/64/390885364.db2.gz DBSBBPZVTWSKSP-SECBINFHSA-N 1 2 267.285 1.635 20 30 CDEDLO N#CCN1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000092936292 390897886 /nfs/dbraw/zinc/89/78/86/390897886.db2.gz KVHANTDMXHNJFU-UHFFFAOYSA-N 1 2 299.353 1.857 20 30 CDEDLO Cn1ccc(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)n1 ZINC000329578849 391019897 /nfs/dbraw/zinc/01/98/97/391019897.db2.gz WKBBWEBZUDSOIY-AWEZNQCLSA-N 1 2 292.383 1.520 20 30 CDEDLO Cn1ccc(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)n1 ZINC000329578849 391019902 /nfs/dbraw/zinc/01/99/02/391019902.db2.gz WKBBWEBZUDSOIY-AWEZNQCLSA-N 1 2 292.383 1.520 20 30 CDEDLO Cc1cc(=O)c(C(=O)NCc2[nH+]ccn2C)cn1C1CC1 ZINC000329460737 390992102 /nfs/dbraw/zinc/99/21/02/390992102.db2.gz SFNMSWKTQFGMBC-UHFFFAOYSA-N 1 2 286.335 1.730 20 30 CDEDLO Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000329501572 391000535 /nfs/dbraw/zinc/00/05/35/391000535.db2.gz GHMGGYITSPWSPN-NSHDSACASA-N 1 2 297.380 1.105 20 30 CDEDLO CN(C(=O)NC[C@H]1CCCn2cc[nH+]c21)C1CC(O)C1 ZINC000329517894 391003639 /nfs/dbraw/zinc/00/36/39/391003639.db2.gz NHWKVVMUFCANCW-VOMCLLRMSA-N 1 2 278.356 1.130 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)N[C@@H]2CCCOC2)C1 ZINC000329652274 391067759 /nfs/dbraw/zinc/06/77/59/391067759.db2.gz LAEXGWMKNMBRLJ-NWDGAFQWSA-N 1 2 278.356 1.302 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCOC2(CCCC2)C1 ZINC000526056594 391127386 /nfs/dbraw/zinc/12/73/86/391127386.db2.gz QMJHZQOUFQJLKU-ZDUSSCGKSA-N 1 2 291.395 1.582 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCOC2(CCCC2)C1 ZINC000526056594 391127390 /nfs/dbraw/zinc/12/73/90/391127390.db2.gz QMJHZQOUFQJLKU-ZDUSSCGKSA-N 1 2 291.395 1.582 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)NC(C2CC2)(C2CC2)C1=O ZINC000491440671 391129641 /nfs/dbraw/zinc/12/96/41/391129641.db2.gz QLRLPFQLABOTAU-SNVBAGLBSA-N 1 2 275.352 1.008 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)NC(C2CC2)(C2CC2)C1=O ZINC000491440671 391129647 /nfs/dbraw/zinc/12/96/47/391129647.db2.gz QLRLPFQLABOTAU-SNVBAGLBSA-N 1 2 275.352 1.008 20 30 CDEDLO C#C[C@H](CCC)NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000491453967 391133932 /nfs/dbraw/zinc/13/39/32/391133932.db2.gz UVDQVYCNFQUKFT-QWHCGFSZSA-N 1 2 274.368 1.721 20 30 CDEDLO N#CC1(F)CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000352483243 391155416 /nfs/dbraw/zinc/15/54/16/391155416.db2.gz HUXKWFHGEJXWAU-UHFFFAOYSA-N 1 2 294.286 1.084 20 30 CDEDLO C#CCCCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000366111741 391218457 /nfs/dbraw/zinc/21/84/57/391218457.db2.gz YQOKGLZMQKGGSW-CQSZACIVSA-N 1 2 273.336 1.658 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000366177133 391228152 /nfs/dbraw/zinc/22/81/52/391228152.db2.gz DNXJIZSVZIFLHL-CHWSQXEVSA-N 1 2 251.326 1.980 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000366177133 391228156 /nfs/dbraw/zinc/22/81/56/391228156.db2.gz DNXJIZSVZIFLHL-CHWSQXEVSA-N 1 2 251.326 1.980 20 30 CDEDLO C[C@@H](C#N)CN(C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000270057647 391262255 /nfs/dbraw/zinc/26/22/55/391262255.db2.gz JTPSSVVKHIRUJP-STQMWFEESA-N 1 2 287.367 1.461 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000270212739 391267752 /nfs/dbraw/zinc/26/77/52/391267752.db2.gz QZXIGSAPQQWESE-UHFFFAOYSA-N 1 2 289.301 1.943 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000270212739 391267754 /nfs/dbraw/zinc/26/77/54/391267754.db2.gz QZXIGSAPQQWESE-UHFFFAOYSA-N 1 2 289.301 1.943 20 30 CDEDLO C=CCN(CCc1ccco1)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000353119889 391343070 /nfs/dbraw/zinc/34/30/70/391343070.db2.gz XZWVJBMUJOPPRU-CQSZACIVSA-N 1 2 292.379 1.557 20 30 CDEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C[C@H](C)O1 ZINC000346286467 391344456 /nfs/dbraw/zinc/34/44/56/391344456.db2.gz VAGPIYBLNNWEHC-YNEHKIRRSA-N 1 2 279.384 1.437 20 30 CDEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C[C@H](C)O1 ZINC000346286467 391344460 /nfs/dbraw/zinc/34/44/60/391344460.db2.gz VAGPIYBLNNWEHC-YNEHKIRRSA-N 1 2 279.384 1.437 20 30 CDEDLO CC#CC[N@H+](C)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000339754006 391348570 /nfs/dbraw/zinc/34/85/70/391348570.db2.gz MHPQRQMXQJKOBN-LBPRGKRZSA-N 1 2 295.180 1.931 20 30 CDEDLO CC#CC[N@@H+](C)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000339754006 391348573 /nfs/dbraw/zinc/34/85/73/391348573.db2.gz MHPQRQMXQJKOBN-LBPRGKRZSA-N 1 2 295.180 1.931 20 30 CDEDLO C=CC[N@@H+](C)CCN(CC)CC1(CS(C)(=O)=O)CC1 ZINC000411648213 391501920 /nfs/dbraw/zinc/50/19/20/391501920.db2.gz ZWHMJPUHKGKLLB-UHFFFAOYSA-N 1 2 288.457 1.251 20 30 CDEDLO C=CC[N@H+](C)CCN(CC)CC1(CS(C)(=O)=O)CC1 ZINC000411648213 391501923 /nfs/dbraw/zinc/50/19/23/391501923.db2.gz ZWHMJPUHKGKLLB-UHFFFAOYSA-N 1 2 288.457 1.251 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)c1ccon1)C(=O)N(C)CCC#N ZINC000349247036 391539933 /nfs/dbraw/zinc/53/99/33/391539933.db2.gz UIGLUADPDWFICE-VHSXEESVSA-N 1 2 250.302 1.086 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000280932098 391654574 /nfs/dbraw/zinc/65/45/74/391654574.db2.gz KNTVJIPHDTWTQN-ZDUSSCGKSA-N 1 2 264.373 1.447 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](CC(=O)OC(C)(C)C)C(C)C)C1=O ZINC000281934121 391675016 /nfs/dbraw/zinc/67/50/16/391675016.db2.gz IGBNWNJDOBUZEA-CYBMUJFWSA-N 1 2 296.411 1.825 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](CC(=O)OC(C)(C)C)C(C)C)C1=O ZINC000281934121 391675022 /nfs/dbraw/zinc/67/50/22/391675022.db2.gz IGBNWNJDOBUZEA-CYBMUJFWSA-N 1 2 296.411 1.825 20 30 CDEDLO C=C(C)CN(C)c1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413226099 391718844 /nfs/dbraw/zinc/71/88/44/391718844.db2.gz CWPLOKMXNUHJHG-STQMWFEESA-N 1 2 276.384 1.696 20 30 CDEDLO C=C(C)CN(C)c1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000413226099 391718845 /nfs/dbraw/zinc/71/88/45/391718845.db2.gz CWPLOKMXNUHJHG-STQMWFEESA-N 1 2 276.384 1.696 20 30 CDEDLO C[C@@H]1OCC[C@]1(C)[NH+]=C([O-])N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329724469 391759182 /nfs/dbraw/zinc/75/91/82/391759182.db2.gz FXGAJCGUTLYUBD-BHDSKKPTSA-N 1 2 278.356 1.338 20 30 CDEDLO C[C@@H]1OCC[C@]1(C)[NH+]=C([O-])N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329724469 391759186 /nfs/dbraw/zinc/75/91/86/391759186.db2.gz FXGAJCGUTLYUBD-BHDSKKPTSA-N 1 2 278.356 1.338 20 30 CDEDLO Cn1cc(CN2CC[NH+](Cc3cccnc3)CC2)cc1C#N ZINC000191460582 130239288 /nfs/dbraw/zinc/23/92/88/130239288.db2.gz VUFAREWCXJFXRR-UHFFFAOYSA-N 1 2 295.390 1.610 20 30 CDEDLO Cn1cc(C[NH+]2CCN(Cc3cccnc3)CC2)cc1C#N ZINC000191460582 130239290 /nfs/dbraw/zinc/23/92/90/130239290.db2.gz VUFAREWCXJFXRR-UHFFFAOYSA-N 1 2 295.390 1.610 20 30 CDEDLO COc1ccc(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)cc1C#N ZINC000163116393 391902681 /nfs/dbraw/zinc/90/26/81/391902681.db2.gz YGMAWNONOWPBQE-AWEZNQCLSA-N 1 2 290.363 1.539 20 30 CDEDLO COc1ccc(C[N@H+]2C[C@@H](CO)OC(C)(C)C2)cc1C#N ZINC000163116393 391902682 /nfs/dbraw/zinc/90/26/82/391902682.db2.gz YGMAWNONOWPBQE-AWEZNQCLSA-N 1 2 290.363 1.539 20 30 CDEDLO Cc1cccc2[nH+]c(CNC(=O)c3ccc(C#N)[nH]3)cn21 ZINC000130023956 392862800 /nfs/dbraw/zinc/86/28/00/392862800.db2.gz LFYDDVJNNVTGPZ-UHFFFAOYSA-N 1 2 279.303 1.773 20 30 CDEDLO COC(=O)C[N@H+](CCCOc1cccc(C#N)c1)C1CC1 ZINC000268657020 132043538 /nfs/dbraw/zinc/04/35/38/132043538.db2.gz HQLAQURDADHTIT-UHFFFAOYSA-N 1 2 288.347 1.965 20 30 CDEDLO COC(=O)C[N@@H+](CCCOc1cccc(C#N)c1)C1CC1 ZINC000268657020 132043539 /nfs/dbraw/zinc/04/35/39/132043539.db2.gz HQLAQURDADHTIT-UHFFFAOYSA-N 1 2 288.347 1.965 20 30 CDEDLO Cc1cc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)c(C#N)cn1 ZINC000425227492 392998068 /nfs/dbraw/zinc/99/80/68/392998068.db2.gz OXBKTWSSCKOVNE-OLZOCXBDSA-N 1 2 274.368 1.205 20 30 CDEDLO CCN1CCN(c2cnccc2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530427530 393051842 /nfs/dbraw/zinc/05/18/42/393051842.db2.gz KGVSWGLCRXQIBU-CQSZACIVSA-N 1 2 282.351 1.560 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCc2nn[nH]c2C1 ZINC000429317523 393080314 /nfs/dbraw/zinc/08/03/14/393080314.db2.gz LIPGQOGLIDGGRD-SNVBAGLBSA-N 1 2 253.309 1.796 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2nn[nH]c2C1 ZINC000429317523 393080320 /nfs/dbraw/zinc/08/03/20/393080320.db2.gz LIPGQOGLIDGGRD-SNVBAGLBSA-N 1 2 253.309 1.796 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)ccc1F ZINC000494085580 393226308 /nfs/dbraw/zinc/22/63/08/393226308.db2.gz KJWXFVPYKVIILQ-ZDUSSCGKSA-N 1 2 289.310 1.724 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)ccc1F ZINC000494085580 393226313 /nfs/dbraw/zinc/22/63/13/393226313.db2.gz KJWXFVPYKVIILQ-ZDUSSCGKSA-N 1 2 289.310 1.724 20 30 CDEDLO C[C@H](C(=O)N1CCn2c[nH+]cc2C1)c1cccc(C#N)c1 ZINC000336036119 151214723 /nfs/dbraw/zinc/21/47/23/151214723.db2.gz DGSYZIWCGTYKDO-LBPRGKRZSA-N 1 2 280.331 1.901 20 30 CDEDLO CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000336037357 151216380 /nfs/dbraw/zinc/21/63/80/151216380.db2.gz NJBFNGPQWOKJCN-LBPRGKRZSA-N 1 2 276.315 1.201 20 30 CDEDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000336037357 151216382 /nfs/dbraw/zinc/21/63/82/151216382.db2.gz NJBFNGPQWOKJCN-LBPRGKRZSA-N 1 2 276.315 1.201 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC000115575888 287236306 /nfs/dbraw/zinc/23/63/06/287236306.db2.gz JJNQUBAPULWROX-QWHCGFSZSA-N 1 2 267.373 1.105 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC000115575888 287236309 /nfs/dbraw/zinc/23/63/09/287236309.db2.gz JJNQUBAPULWROX-QWHCGFSZSA-N 1 2 267.373 1.105 20 30 CDEDLO C=CC(C)(C)CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661268601 413935163 /nfs/dbraw/zinc/93/51/63/413935163.db2.gz GMVYWAVZLDJMQW-ZDUSSCGKSA-N 1 2 281.400 1.315 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000285756066 196388656 /nfs/dbraw/zinc/38/86/56/196388656.db2.gz RXMKIXXLDUVURZ-CYBMUJFWSA-N 1 2 290.367 1.716 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000285756066 196388657 /nfs/dbraw/zinc/38/86/57/196388657.db2.gz RXMKIXXLDUVURZ-CYBMUJFWSA-N 1 2 290.367 1.716 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@H]2c3ccccc3C[C@H]2O)nn1 ZINC000657343811 414184470 /nfs/dbraw/zinc/18/44/70/414184470.db2.gz VWNVUVDXBOKYQR-CVEARBPZSA-N 1 2 284.363 1.602 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2c(C)nn(C)c2C)nn1 ZINC000657340136 414200553 /nfs/dbraw/zinc/20/05/53/414200553.db2.gz AOVUCXVWLJYCHO-UHFFFAOYSA-N 1 2 274.372 1.494 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001588931091 1173115090 /nfs/dbraw/zinc/11/50/90/1173115090.db2.gz RCZFBDQDWMHEIP-JTQLQIEISA-N 1 2 256.313 1.458 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001588931091 1173115096 /nfs/dbraw/zinc/11/50/96/1173115096.db2.gz RCZFBDQDWMHEIP-JTQLQIEISA-N 1 2 256.313 1.458 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)NCCOC1CCCC1 ZINC000329211091 227353101 /nfs/dbraw/zinc/35/31/01/227353101.db2.gz ZCNBMKTZXXZUGO-UHFFFAOYSA-N 1 2 266.345 1.383 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C[C@H]1C(N)=O ZINC000329209794 227354605 /nfs/dbraw/zinc/35/46/05/227354605.db2.gz YOVKFZVQLHNGFS-OUAUKWLOSA-N 1 2 291.355 1.215 20 30 CDEDLO Cc1nccc(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)n1 ZINC000330120831 228044044 /nfs/dbraw/zinc/04/40/44/228044044.db2.gz JELXWVWILOURLB-UHFFFAOYSA-N 1 2 293.371 1.222 20 30 CDEDLO Cc1nccc(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)n1 ZINC000330120831 228044046 /nfs/dbraw/zinc/04/40/46/228044046.db2.gz JELXWVWILOURLB-UHFFFAOYSA-N 1 2 293.371 1.222 20 30 CDEDLO C[C@@H]1COCC[C@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000330337071 228155841 /nfs/dbraw/zinc/15/58/41/228155841.db2.gz SXUQPGVYKYIKHS-CHWSQXEVSA-N 1 2 299.415 1.026 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)C[C@H](C)O1 ZINC000408124944 260251771 /nfs/dbraw/zinc/25/17/71/260251771.db2.gz UYVZTFQUQHUIDY-NWDGAFQWSA-N 1 2 265.357 1.048 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)C[C@H](C)O1 ZINC000408124944 260251773 /nfs/dbraw/zinc/25/17/73/260251773.db2.gz UYVZTFQUQHUIDY-NWDGAFQWSA-N 1 2 265.357 1.048 20 30 CDEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N(C)C2CC2)cc1 ZINC000067953731 260254126 /nfs/dbraw/zinc/25/41/26/260254126.db2.gz MGAZQOXVHKYPRV-UHFFFAOYSA-N 1 2 291.351 1.147 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CC)Cc1cnn(C)c1 ZINC000161130034 262311231 /nfs/dbraw/zinc/31/12/31/262311231.db2.gz WVTOBUAMQRZEPH-CYBMUJFWSA-N 1 2 291.399 1.250 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC)Cc1cnn(C)c1 ZINC000161130034 262311232 /nfs/dbraw/zinc/31/12/32/262311232.db2.gz WVTOBUAMQRZEPH-CYBMUJFWSA-N 1 2 291.399 1.250 20 30 CDEDLO CC(C)C(=O)N1CCC(=NOCc2c[nH+]cn2C)CC1 ZINC000268093564 262949294 /nfs/dbraw/zinc/94/92/94/262949294.db2.gz UVEQXTRVCHOUIY-UHFFFAOYSA-N 1 2 278.356 1.571 20 30 CDEDLO N#CCc1cccc(C(=O)NCC2([NH+]3CCOCC3)CC2)c1 ZINC000277824146 263043615 /nfs/dbraw/zinc/04/36/15/263043615.db2.gz HTXJQMNJLFUBLO-UHFFFAOYSA-N 1 2 299.374 1.347 20 30 CDEDLO CC1(C)CCCN(C(=O)CCn2cc[nH+]c2)[C@H]1C#N ZINC000277988237 263044946 /nfs/dbraw/zinc/04/49/46/263044946.db2.gz RAVPHTMFSHTXCS-LBPRGKRZSA-N 1 2 260.341 1.814 20 30 CDEDLO CO/N=C/C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000283239276 263082118 /nfs/dbraw/zinc/08/21/18/263082118.db2.gz JGGVDXRPUJNXII-GCIHHOABSA-N 1 2 296.396 1.946 20 30 CDEDLO CO/N=C/C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000283239276 263082119 /nfs/dbraw/zinc/08/21/19/263082119.db2.gz JGGVDXRPUJNXII-GCIHHOABSA-N 1 2 296.396 1.946 20 30 CDEDLO NC(=[NH+]OCC(=O)Nc1ccc(F)c(F)c1)[C@@H]1CCCO1 ZINC000284042286 263085427 /nfs/dbraw/zinc/08/54/27/263085427.db2.gz JAOXQLRPDXWSCQ-NSHDSACASA-N 1 2 299.277 1.371 20 30 CDEDLO NC(=[NH+]OCCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000284405872 263086933 /nfs/dbraw/zinc/08/69/33/263086933.db2.gz NFPVBBFAEDPXQY-LBPRGKRZSA-N 1 2 295.295 1.441 20 30 CDEDLO C[N@H+](Cc1ncnn1CC(F)F)[C@@H]1CC[C@H](C#N)C1 ZINC000294287712 263159304 /nfs/dbraw/zinc/15/93/04/263159304.db2.gz WHWQRIWSKYRQJH-VHSXEESVSA-N 1 2 269.299 1.667 20 30 CDEDLO C[N@@H+](Cc1ncnn1CC(F)F)[C@@H]1CC[C@H](C#N)C1 ZINC000294287712 263159305 /nfs/dbraw/zinc/15/93/05/263159305.db2.gz WHWQRIWSKYRQJH-VHSXEESVSA-N 1 2 269.299 1.667 20 30 CDEDLO Cc1ncc(CO)c(/C=[NH+]/CC2CCOCC2)c1O ZINC000299519127 263244779 /nfs/dbraw/zinc/24/47/79/263244779.db2.gz MYJJMKVBIVSWGS-OVCLIPMQSA-N 1 2 264.325 1.433 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000121169119 263290930 /nfs/dbraw/zinc/29/09/30/263290930.db2.gz JNXXMVFOTGVHSP-UHFFFAOYSA-N 1 2 264.325 1.760 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000121169119 263290932 /nfs/dbraw/zinc/29/09/32/263290932.db2.gz JNXXMVFOTGVHSP-UHFFFAOYSA-N 1 2 264.325 1.760 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1ccccc1N1CCCC1=O ZINC000121585236 263297189 /nfs/dbraw/zinc/29/71/89/263297189.db2.gz LPDXGLMYXJBRPG-UHFFFAOYSA-N 1 2 287.363 1.870 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1ccccc1N1CCCC1=O ZINC000121585236 263297191 /nfs/dbraw/zinc/29/71/91/263297191.db2.gz LPDXGLMYXJBRPG-UHFFFAOYSA-N 1 2 287.363 1.870 20 30 CDEDLO CCC[C@@H](C(=O)OCC)[NH+]1CCC(C#N)(COC)CC1 ZINC000341986810 263381228 /nfs/dbraw/zinc/38/12/28/263381228.db2.gz FSIQRSPIBJGOJD-ZDUSSCGKSA-N 1 2 282.384 1.970 20 30 CDEDLO N#CCCN1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000051383171 264006678 /nfs/dbraw/zinc/00/66/78/264006678.db2.gz QAPUXGQYKFVTKO-UHFFFAOYSA-N 1 2 298.390 1.107 20 30 CDEDLO CCc1nc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)co1 ZINC000330823007 264047602 /nfs/dbraw/zinc/04/76/02/264047602.db2.gz HSRLIGAGWWVHSU-SNVBAGLBSA-N 1 2 267.329 1.262 20 30 CDEDLO CC[N@@H+](CC(=O)N1C[C@H](C)O[C@@H](C)C1)C[C@@H](C)C#N ZINC000330784347 264052668 /nfs/dbraw/zinc/05/26/68/264052668.db2.gz RSHBFPOOPSCJRR-AVGNSLFASA-N 1 2 267.373 1.104 20 30 CDEDLO CC[N@H+](CC(=O)N1C[C@H](C)O[C@@H](C)C1)C[C@@H](C)C#N ZINC000330784347 264052670 /nfs/dbraw/zinc/05/26/70/264052670.db2.gz RSHBFPOOPSCJRR-AVGNSLFASA-N 1 2 267.373 1.104 20 30 CDEDLO N#Cc1ccc(NC(=O)C[NH2+][C@H]2CCC[C@@H]2C#N)cc1 ZINC000331340843 264195501 /nfs/dbraw/zinc/19/55/01/264195501.db2.gz KCRYCLZFEGOCBJ-OCCSQVGLSA-N 1 2 268.320 1.779 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000331305944 264201271 /nfs/dbraw/zinc/20/12/71/264201271.db2.gz AYBQDHVXVAICLN-UHFFFAOYSA-N 1 2 291.351 1.875 20 30 CDEDLO C=CC[N@H+](Cc1nc(COC)no1)[C@H](C)COC ZINC000661240680 424072845 /nfs/dbraw/zinc/07/28/45/424072845.db2.gz PYFPDDGGLGTODZ-SNVBAGLBSA-N 1 2 255.318 1.239 20 30 CDEDLO C=CC[N@@H+](Cc1nc(COC)no1)[C@H](C)COC ZINC000661240680 424072853 /nfs/dbraw/zinc/07/28/53/424072853.db2.gz PYFPDDGGLGTODZ-SNVBAGLBSA-N 1 2 255.318 1.239 20 30 CDEDLO C=CCCCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664782665 424337438 /nfs/dbraw/zinc/33/74/38/424337438.db2.gz AWHHDFYKMUPOIW-QWHCGFSZSA-N 1 2 269.389 1.361 20 30 CDEDLO C=CCCCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664782665 424337442 /nfs/dbraw/zinc/33/74/42/424337442.db2.gz AWHHDFYKMUPOIW-QWHCGFSZSA-N 1 2 269.389 1.361 20 30 CDEDLO C=CCN(CCOC)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000357164877 266258535 /nfs/dbraw/zinc/25/85/35/266258535.db2.gz NVZUCRDZOFAMSB-HNNXBMFYSA-N 1 2 296.411 1.291 20 30 CDEDLO C=CCN(CCOC)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000357164877 266258538 /nfs/dbraw/zinc/25/85/38/266258538.db2.gz NVZUCRDZOFAMSB-HNNXBMFYSA-N 1 2 296.411 1.291 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+](CCO)Cc1cccnc1 ZINC000357308743 266273499 /nfs/dbraw/zinc/27/34/99/266273499.db2.gz SZKWESPOWYCMFU-CYBMUJFWSA-N 1 2 258.325 1.319 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+](CCO)Cc1cccnc1 ZINC000357308743 266273496 /nfs/dbraw/zinc/27/34/96/266273496.db2.gz SZKWESPOWYCMFU-CYBMUJFWSA-N 1 2 258.325 1.319 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528604819 268181044 /nfs/dbraw/zinc/18/10/44/268181044.db2.gz OWVOBGWWQTYXRM-STQMWFEESA-N 1 2 280.755 1.244 20 30 CDEDLO CCc1ccc(C#CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000292524215 276665164 /nfs/dbraw/zinc/66/51/64/276665164.db2.gz PGGOIQAGYFJINH-UHFFFAOYSA-N 1 2 256.349 1.375 20 30 CDEDLO CC(C)(C(N)=O)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000267517049 277126128 /nfs/dbraw/zinc/12/61/28/277126128.db2.gz OAFZLMXMRRVFBB-UHFFFAOYSA-N 1 2 290.342 1.083 20 30 CDEDLO Cc1nsc(N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c1C#N ZINC000291076340 279264700 /nfs/dbraw/zinc/26/47/00/279264700.db2.gz HOUGJXDOKKLWJW-DGCLKSJQSA-N 1 2 292.408 1.623 20 30 CDEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)[C@@H](C)C[N@@H+]1C ZINC000350867404 288242178 /nfs/dbraw/zinc/24/21/78/288242178.db2.gz GSFWCPRCAYPWLF-NEPJUHHUSA-N 1 2 293.392 1.271 20 30 CDEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)[C@@H](C)C[N@H+]1C ZINC000350867404 288242179 /nfs/dbraw/zinc/24/21/79/288242179.db2.gz GSFWCPRCAYPWLF-NEPJUHHUSA-N 1 2 293.392 1.271 20 30 CDEDLO N#Cc1cccc(/C=C\C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000255312844 289365209 /nfs/dbraw/zinc/36/52/09/289365209.db2.gz SRTHHHRNPAXZGA-PLNGDYQASA-N 1 2 266.304 1.653 20 30 CDEDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)o1 ZINC000544513695 289639804 /nfs/dbraw/zinc/63/98/04/289639804.db2.gz ZCSOTYUSJMCSKU-SECBINFHSA-N 1 2 285.307 1.539 20 30 CDEDLO Cn1cc(C(C)(C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cn1 ZINC000546001426 289711472 /nfs/dbraw/zinc/71/14/72/289711472.db2.gz WOCUHKALWBQARN-AWEZNQCLSA-N 1 2 297.362 1.343 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1nncn1-c1ccccc1 ZINC000562986571 327735193 /nfs/dbraw/zinc/73/51/93/327735193.db2.gz ZKLDJNITUSNVIH-ZDUSSCGKSA-N 1 2 280.335 1.800 20 30 CDEDLO N#Cc1cccc(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)n1 ZINC000564328644 316448444 /nfs/dbraw/zinc/44/84/44/316448444.db2.gz OFSAPTZKFRFTDN-ZDUSSCGKSA-N 1 2 296.334 1.846 20 30 CDEDLO N#Cc1ccc(C[NH2+][C@@H](CCO)c2ccco2)nc1 ZINC000566017326 316456783 /nfs/dbraw/zinc/45/67/83/316456783.db2.gz MLFDZZXPJBGSCE-ZDUSSCGKSA-N 1 2 257.293 1.760 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+](CC(=O)OC)Cc1ccccc1 ZINC000531613766 328019416 /nfs/dbraw/zinc/01/94/16/328019416.db2.gz LJVBDOMECORPDI-OAHLLOKOSA-N 1 2 277.364 1.989 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+](CC(=O)OC)Cc1ccccc1 ZINC000531613766 328019417 /nfs/dbraw/zinc/01/94/17/328019417.db2.gz LJVBDOMECORPDI-OAHLLOKOSA-N 1 2 277.364 1.989 20 30 CDEDLO COC(=O)c1ccc(N(C)CCCn2cc[nH+]c2)c(C#N)n1 ZINC000576292520 317113356 /nfs/dbraw/zinc/11/33/56/317113356.db2.gz QCBGMQJVDDMDEL-UHFFFAOYSA-N 1 2 299.334 1.463 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)Cc1cccc(C#N)c1 ZINC000576796715 317207325 /nfs/dbraw/zinc/20/73/25/317207325.db2.gz ZNEGGWLNDSNASG-UHFFFAOYSA-N 1 2 254.293 1.151 20 30 CDEDLO C#CCNC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000048020195 328036024 /nfs/dbraw/zinc/03/60/24/328036024.db2.gz IZOPIOZTAOYTHE-UHFFFAOYSA-N 1 2 262.700 1.420 20 30 CDEDLO COc1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc1F ZINC000571650808 328200702 /nfs/dbraw/zinc/20/07/02/328200702.db2.gz NIQTVNQZTVAKGR-NSHDSACASA-N 1 2 282.315 1.419 20 30 CDEDLO COc1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc1F ZINC000571650808 328200703 /nfs/dbraw/zinc/20/07/03/328200703.db2.gz NIQTVNQZTVAKGR-NSHDSACASA-N 1 2 282.315 1.419 20 30 CDEDLO C=CC[C@H](CO)C[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000340318040 328255015 /nfs/dbraw/zinc/25/50/15/328255015.db2.gz SSWIYVHAWRFBRN-CMPLNLGQSA-N 1 2 278.381 1.730 20 30 CDEDLO N#CC1(C(=O)N2CCn3c[nH+]cc3C2)CCCCC1 ZINC000290987130 328261567 /nfs/dbraw/zinc/26/15/67/328261567.db2.gz WROWTCJQVKJNRF-UHFFFAOYSA-N 1 2 258.325 1.699 20 30 CDEDLO Cc1nn(C)c(C)c1CNC(=O)CCc1c[nH+]cn1C ZINC000328792632 328458596 /nfs/dbraw/zinc/45/85/96/328458596.db2.gz RLMYHRDZQCCHQX-UHFFFAOYSA-N 1 2 275.356 1.860 20 30 CDEDLO COC(=O)c1cccc(C[N@@H+]2C[C@H](O)C(C)(C)C2)c1C#N ZINC000582825583 325050467 /nfs/dbraw/zinc/05/04/67/325050467.db2.gz UDKGEIYKKUJZNO-AWEZNQCLSA-N 1 2 288.347 1.548 20 30 CDEDLO COC(=O)c1cccc(C[N@H+]2C[C@H](O)C(C)(C)C2)c1C#N ZINC000582825583 325050471 /nfs/dbraw/zinc/05/04/71/325050471.db2.gz UDKGEIYKKUJZNO-AWEZNQCLSA-N 1 2 288.347 1.548 20 30 CDEDLO C[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N(CC#N)CC#N ZINC000346718105 328573026 /nfs/dbraw/zinc/57/30/26/328573026.db2.gz HVPZCYYDOJFGPX-STQMWFEESA-N 1 2 283.335 1.030 20 30 CDEDLO C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000491164672 332158781 /nfs/dbraw/zinc/15/87/81/332158781.db2.gz DIPMZHPGBWSAOO-LSDHHAIUSA-N 1 2 251.418 1.261 20 30 CDEDLO CCC(CC)[C@H](C(=O)N[C@H](C#N)CC)[NH+]1CCOCC1 ZINC000179241536 329206656 /nfs/dbraw/zinc/20/66/56/329206656.db2.gz VFBBDVLPHLANFK-UONOGXRCSA-N 1 2 281.400 1.542 20 30 CDEDLO CCC(CC)[C@@H](C(=O)N[C@@H](CC)CC#N)[NH+]1CCOCC1 ZINC000183879867 329253758 /nfs/dbraw/zinc/25/37/58/329253758.db2.gz UVNDAUWZZURIED-GJZGRUSLSA-N 1 2 295.427 1.932 20 30 CDEDLO N#CCC1(O)CN(Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000189540671 329383131 /nfs/dbraw/zinc/38/31/31/329383131.db2.gz AGHXMRYNXNDGKU-UHFFFAOYSA-N 1 2 268.320 1.333 20 30 CDEDLO Cn1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(C(C)(C)C)n1 ZINC000574992824 330125208 /nfs/dbraw/zinc/12/52/08/330125208.db2.gz ZDNDOBYIMWYJEU-HNNXBMFYSA-N 1 2 291.399 1.291 20 30 CDEDLO C=CCC1(C(=O)Nc2ccc(N)[nH+]c2)CCOCC1 ZINC000424077089 330221033 /nfs/dbraw/zinc/22/10/33/330221033.db2.gz NMWJKUVTIPOCOV-UHFFFAOYSA-N 1 2 261.325 1.806 20 30 CDEDLO C[C@@H]1CC(F)(F)CC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000528763993 330257699 /nfs/dbraw/zinc/25/76/99/330257699.db2.gz CIUMACRANJEWCF-MFKMUULPSA-N 1 2 285.338 1.914 20 30 CDEDLO C[C@@H]1CC(F)(F)CC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000528763993 330257700 /nfs/dbraw/zinc/25/77/00/330257700.db2.gz CIUMACRANJEWCF-MFKMUULPSA-N 1 2 285.338 1.914 20 30 CDEDLO C=CC[C@H](CO)CNc1nc(N)c2ccccc2[nH+]1 ZINC000537049261 330394887 /nfs/dbraw/zinc/39/48/87/330394887.db2.gz YUHIAOUSRBSTJY-JTQLQIEISA-N 1 2 258.325 1.061 20 30 CDEDLO N#CCNC(=O)C[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000429223116 330540366 /nfs/dbraw/zinc/54/03/66/330540366.db2.gz VGFBYUNFODFRIE-UHFFFAOYSA-N 1 2 292.770 1.554 20 30 CDEDLO CCN(CCC#N)S(=O)(=O)NCc1c[nH+]c(C)cc1C ZINC000452037947 331051305 /nfs/dbraw/zinc/05/13/05/331051305.db2.gz CUGYCSMPSYXPFL-UHFFFAOYSA-N 1 2 296.396 1.268 20 30 CDEDLO C=CCC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)C(=O)OCC ZINC000456637116 331197946 /nfs/dbraw/zinc/19/79/46/331197946.db2.gz YTFNVPYORMPPPQ-SNVBAGLBSA-N 1 2 265.313 1.346 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458625717 331254553 /nfs/dbraw/zinc/25/45/53/331254553.db2.gz TXFXYVPNJIBEJW-KFWWJZLASA-N 1 2 295.427 1.894 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458625717 331254554 /nfs/dbraw/zinc/25/45/54/331254554.db2.gz TXFXYVPNJIBEJW-KFWWJZLASA-N 1 2 295.427 1.894 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000490688725 332104345 /nfs/dbraw/zinc/10/43/45/332104345.db2.gz KSBJZIYBMLLTQW-UHFFFAOYSA-N 1 2 285.391 1.630 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000490688725 332104347 /nfs/dbraw/zinc/10/43/47/332104347.db2.gz KSBJZIYBMLLTQW-UHFFFAOYSA-N 1 2 285.391 1.630 20 30 CDEDLO C#CCN(C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1)C1CC1 ZINC000491305956 332186575 /nfs/dbraw/zinc/18/65/75/332186575.db2.gz LANAXZFWFBRQAL-CYBMUJFWSA-N 1 2 272.352 1.678 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000491447452 332212902 /nfs/dbraw/zinc/21/29/02/332212902.db2.gz CHAMSBMNTCSWAG-QPJJXVBHSA-N 1 2 296.330 1.652 20 30 CDEDLO C#CCN(CC)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000491463192 332216361 /nfs/dbraw/zinc/21/63/61/332216361.db2.gz MBHNQOJQEHTGRX-UHFFFAOYSA-N 1 2 258.312 1.445 20 30 CDEDLO C#C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccc(F)cc1 ZINC000491505852 332224926 /nfs/dbraw/zinc/22/49/26/332224926.db2.gz NLLSWQANMSTWAL-CQSZACIVSA-N 1 2 271.295 1.972 20 30 CDEDLO C#C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC000491505852 332224927 /nfs/dbraw/zinc/22/49/27/332224927.db2.gz NLLSWQANMSTWAL-CQSZACIVSA-N 1 2 271.295 1.972 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@H](O)c1ccc(F)cc1C ZINC000491516146 332227684 /nfs/dbraw/zinc/22/76/84/332227684.db2.gz RETRFWKDHSDAGD-ZFWWWQNUSA-N 1 2 263.312 1.502 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](O)c1ccc(F)cc1C ZINC000491516146 332227685 /nfs/dbraw/zinc/22/76/85/332227685.db2.gz RETRFWKDHSDAGD-ZFWWWQNUSA-N 1 2 263.312 1.502 20 30 CDEDLO C#C[C@H]1COCCN1Cc1[nH+]ccn1Cc1ccccc1 ZINC000491536924 332232220 /nfs/dbraw/zinc/23/22/20/332232220.db2.gz MZRZNHSTFYQSJZ-INIZCTEOSA-N 1 2 281.359 1.765 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@@]2(C1=O)[C@H](C)CCC[C@@H]2C ZINC000491566849 332239252 /nfs/dbraw/zinc/23/92/52/332239252.db2.gz IEGMTZLVBFQBSG-IATRGZMQSA-N 1 2 291.395 1.644 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@@]2(C1=O)[C@H](C)CCC[C@@H]2C ZINC000491566849 332239253 /nfs/dbraw/zinc/23/92/53/332239253.db2.gz IEGMTZLVBFQBSG-IATRGZMQSA-N 1 2 291.395 1.644 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(OCC)cc1 ZINC000491616122 332243496 /nfs/dbraw/zinc/24/34/96/332243496.db2.gz AFOYIWBKWWXQCB-GFCCVEGCSA-N 1 2 260.337 1.977 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(OCC)cc1 ZINC000491616122 332243497 /nfs/dbraw/zinc/24/34/97/332243497.db2.gz AFOYIWBKWWXQCB-GFCCVEGCSA-N 1 2 260.337 1.977 20 30 CDEDLO C#CC[N@@H+](CCC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491668835 332276257 /nfs/dbraw/zinc/27/62/57/332276257.db2.gz MXCYHIDPJHRFAI-OAHLLOKOSA-N 1 2 281.421 1.999 20 30 CDEDLO C#CC[N@H+](CCC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491668835 332276260 /nfs/dbraw/zinc/27/62/60/332276260.db2.gz MXCYHIDPJHRFAI-OAHLLOKOSA-N 1 2 281.421 1.999 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)NC2(CCCCC2)C1=O ZINC000491727356 332310562 /nfs/dbraw/zinc/31/05/62/332310562.db2.gz FTLBCKFUQWHUHQ-NSHDSACASA-N 1 2 263.341 1.152 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)NC2(CCCCC2)C1=O ZINC000491727356 332310563 /nfs/dbraw/zinc/31/05/63/332310563.db2.gz FTLBCKFUQWHUHQ-NSHDSACASA-N 1 2 263.341 1.152 20 30 CDEDLO C[C@@H]1CCCC[C@H]1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000572529662 333384095 /nfs/dbraw/zinc/38/40/95/333384095.db2.gz PZEMKBMNFPOGRE-BZPMIXESSA-N 1 2 251.374 1.773 20 30 CDEDLO CC#CCCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000543604882 333883925 /nfs/dbraw/zinc/88/39/25/333883925.db2.gz FLUFXGLVHLFBBQ-UHFFFAOYSA-N 1 2 286.375 1.662 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(F)c(C)c2)CC1 ZINC000134284808 334086718 /nfs/dbraw/zinc/08/67/18/334086718.db2.gz ZWPXNRUDNQAFAG-UHFFFAOYSA-N 1 2 290.338 1.290 20 30 CDEDLO CC(C)(C#N)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000549605576 334199109 /nfs/dbraw/zinc/19/91/09/334199109.db2.gz GNQVUSZFHHNTIC-UHFFFAOYSA-N 1 2 268.320 1.963 20 30 CDEDLO CCC[C@@H]1C[N@H+](CC(=O)N(CC)C[C@H](C)C#N)CCO1 ZINC000248134461 334295626 /nfs/dbraw/zinc/29/56/26/334295626.db2.gz XDMNGEUENINNGY-ZIAGYGMSSA-N 1 2 281.400 1.495 20 30 CDEDLO CCC[C@@H]1C[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)CCO1 ZINC000248134461 334295627 /nfs/dbraw/zinc/29/56/27/334295627.db2.gz XDMNGEUENINNGY-ZIAGYGMSSA-N 1 2 281.400 1.495 20 30 CDEDLO N#CC1(CNC(=O)C2CC[NH+](CC(F)F)CC2)CC1 ZINC000554612639 334443039 /nfs/dbraw/zinc/44/30/39/334443039.db2.gz SDJXKMNNUMGPEU-UHFFFAOYSA-N 1 2 271.311 1.383 20 30 CDEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(F)cc1F ZINC000566799023 334664932 /nfs/dbraw/zinc/66/49/32/334664932.db2.gz ATCRZZODYKZMJN-AWEZNQCLSA-N 1 2 281.306 1.847 20 30 CDEDLO CC(=O)Nc1cccc(OC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000577735608 335394477 /nfs/dbraw/zinc/39/44/77/335394477.db2.gz NFYRQLQOUFKBMT-AWEZNQCLSA-N 1 2 291.351 1.230 20 30 CDEDLO CC(=O)Nc1cccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000577735608 335394478 /nfs/dbraw/zinc/39/44/78/335394478.db2.gz NFYRQLQOUFKBMT-AWEZNQCLSA-N 1 2 291.351 1.230 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1Cc2ccccc2S1 ZINC000581433119 336076623 /nfs/dbraw/zinc/07/66/23/336076623.db2.gz XETCIKLOLGTKIV-ZFWWWQNUSA-N 1 2 289.404 1.663 20 30 CDEDLO C=CCOCC(=O)N[C@@H]1CCC[N@H+](CC(=C)Cl)[C@H]1C ZINC001755714877 1160488939 /nfs/dbraw/zinc/48/89/39/1160488939.db2.gz QXKSQRHUGQVRPN-QWHCGFSZSA-N 1 2 286.803 1.911 20 30 CDEDLO C=CCOCC(=O)N[C@@H]1CCC[N@@H+](CC(=C)Cl)[C@H]1C ZINC001755714877 1160488943 /nfs/dbraw/zinc/48/89/43/1160488943.db2.gz QXKSQRHUGQVRPN-QWHCGFSZSA-N 1 2 286.803 1.911 20 30 CDEDLO CCC#C[C@@H](C)[NH+]1CCN(CC(=O)N[C@H](C)CC)CC1 ZINC000677047078 482520085 /nfs/dbraw/zinc/52/00/85/482520085.db2.gz RDORGADZICADIF-HUUCEWRRSA-N 1 2 279.428 1.321 20 30 CDEDLO C=CCCNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000666395825 482680759 /nfs/dbraw/zinc/68/07/59/482680759.db2.gz DTYZFRDENJHSHK-UHFFFAOYSA-N 1 2 290.367 1.924 20 30 CDEDLO CC[N@H+](CC#CCOC)CC(=O)NCc1ccc(F)cc1 ZINC000677476918 482681005 /nfs/dbraw/zinc/68/10/05/482681005.db2.gz KGLNBRQZLGRHKA-UHFFFAOYSA-N 1 2 292.354 1.414 20 30 CDEDLO CC[N@@H+](CC#CCOC)CC(=O)NCc1ccc(F)cc1 ZINC000677476918 482681011 /nfs/dbraw/zinc/68/10/11/482681011.db2.gz KGLNBRQZLGRHKA-UHFFFAOYSA-N 1 2 292.354 1.414 20 30 CDEDLO COCC#CC[N@@H+]1CCOc2cc(OC)ccc2C1 ZINC000670097119 482774324 /nfs/dbraw/zinc/77/43/24/482774324.db2.gz SXFMFSLYHFBLGH-UHFFFAOYSA-N 1 2 261.321 1.539 20 30 CDEDLO COCC#CC[N@H+]1CCOc2cc(OC)ccc2C1 ZINC000670097119 482774330 /nfs/dbraw/zinc/77/43/30/482774330.db2.gz SXFMFSLYHFBLGH-UHFFFAOYSA-N 1 2 261.321 1.539 20 30 CDEDLO C=C(C)COCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682513015 483262173 /nfs/dbraw/zinc/26/21/73/483262173.db2.gz REOSFIKMCPJSSN-GFCCVEGCSA-N 1 2 263.341 1.154 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C)nnc2CC)C1 ZINC001043131658 1161436237 /nfs/dbraw/zinc/43/62/37/1161436237.db2.gz VFFJHWBEFFMRBW-UHFFFAOYSA-N 1 2 288.395 1.680 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2cccs2)C1 ZINC001731369531 1182340556 /nfs/dbraw/zinc/34/05/56/1182340556.db2.gz IOUSYRIXIMLTQK-LBPRGKRZSA-N 1 2 278.377 1.202 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H](NC(=O)c2cccs2)C1 ZINC001731369531 1182340563 /nfs/dbraw/zinc/34/05/63/1182340563.db2.gz IOUSYRIXIMLTQK-LBPRGKRZSA-N 1 2 278.377 1.202 20 30 CDEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H](C)CCC)C1 ZINC001754765108 1185725173 /nfs/dbraw/zinc/72/51/73/1185725173.db2.gz XCJWARLMTAJMKK-GFCCVEGCSA-N 1 2 254.374 1.162 20 30 CDEDLO Cc1nc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)sc1C ZINC000329966418 534452011 /nfs/dbraw/zinc/45/20/11/534452011.db2.gz VOKUVZVRKHLCBG-WDEREUQCSA-N 1 2 296.396 1.320 20 30 CDEDLO Cc1nc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)sc1C ZINC000329966418 534452015 /nfs/dbraw/zinc/45/20/15/534452015.db2.gz VOKUVZVRKHLCBG-WDEREUQCSA-N 1 2 296.396 1.320 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CC[C@@H](C)CC)CC1 ZINC001113454388 1162180707 /nfs/dbraw/zinc/18/07/07/1162180707.db2.gz KSAZZANOCGGYBI-AWEZNQCLSA-N 1 2 250.386 1.980 20 30 CDEDLO C#CCCS(=O)(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000791420692 1162220468 /nfs/dbraw/zinc/22/04/68/1162220468.db2.gz AVBFJUWKAGSAKK-UHFFFAOYSA-N 1 2 282.365 1.150 20 30 CDEDLO C=CCCC(=O)NC[C@@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113562097 1162221918 /nfs/dbraw/zinc/22/19/18/1162221918.db2.gz BURWZACYZHXQFX-LLVKDONJSA-N 1 2 262.357 1.692 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)C2(C)COC2)CCO1 ZINC000330324870 534813584 /nfs/dbraw/zinc/81/35/84/534813584.db2.gz IUTSBDTVHIQZQR-PWSUYJOCSA-N 1 2 279.340 1.633 20 30 CDEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3ccccn3)CC2)c[nH]1 ZINC000181349790 526540746 /nfs/dbraw/zinc/54/07/46/526540746.db2.gz FMGNGCUXTUYJRC-UHFFFAOYSA-N 1 2 295.346 1.239 20 30 CDEDLO N#Cc1cccc(CN2CCN(Cc3[nH]cc[nH+]3)CC2)c1F ZINC000340867670 526704344 /nfs/dbraw/zinc/70/43/44/526704344.db2.gz IKDWYVYJPBMTFA-UHFFFAOYSA-N 1 2 299.353 1.738 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000347614768 526710778 /nfs/dbraw/zinc/71/07/78/526710778.db2.gz AHEXCOQAXAIBKP-KBPBESRZSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000347614768 526710784 /nfs/dbraw/zinc/71/07/84/526710784.db2.gz AHEXCOQAXAIBKP-KBPBESRZSA-N 1 2 268.401 1.816 20 30 CDEDLO N#Cc1cscc1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000340366500 526784174 /nfs/dbraw/zinc/78/41/74/526784174.db2.gz QYCDDFCPYSJAEM-LBPRGKRZSA-N 1 2 291.376 1.213 20 30 CDEDLO N#Cc1cscc1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000340366500 526784179 /nfs/dbraw/zinc/78/41/79/526784179.db2.gz QYCDDFCPYSJAEM-LBPRGKRZSA-N 1 2 291.376 1.213 20 30 CDEDLO C=CCC[C@@H](O)C[NH2+][C@H](C)c1noc(COC(C)C)n1 ZINC000352681713 527458387 /nfs/dbraw/zinc/45/83/87/527458387.db2.gz YYEGFBNPYGRPRJ-VXGBXAGGSA-N 1 2 283.372 1.972 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000347616788 527531479 /nfs/dbraw/zinc/53/14/79/527531479.db2.gz VOYXFWYTPSDITR-HOCLYGCPSA-N 1 2 298.427 1.442 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000347616788 527531483 /nfs/dbraw/zinc/53/14/83/527531483.db2.gz VOYXFWYTPSDITR-HOCLYGCPSA-N 1 2 298.427 1.442 20 30 CDEDLO CCC[C@@](C)([NH2+]C[C@H](O)c1ccc(C#N)cc1)C(=O)OC ZINC000156445833 527899248 /nfs/dbraw/zinc/89/92/48/527899248.db2.gz KXUSRTLXFKGQPY-GOEBONIOSA-N 1 2 290.363 1.913 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000332408561 528620900 /nfs/dbraw/zinc/62/09/00/528620900.db2.gz YWNYXCGCCYUKNU-QWHCGFSZSA-N 1 2 289.383 1.555 20 30 CDEDLO CC[C@@H](C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000354955191 529299496 /nfs/dbraw/zinc/29/94/96/529299496.db2.gz XOBYKTSPXIMGTE-CYBMUJFWSA-N 1 2 267.373 1.107 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@H](C)CS(C)(=O)=O ZINC000120945601 536878803 /nfs/dbraw/zinc/87/88/03/536878803.db2.gz JKQOWVMWMFLUFU-LLVKDONJSA-N 1 2 296.392 1.432 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)CS(C)(=O)=O ZINC000120945601 536878810 /nfs/dbraw/zinc/87/88/10/536878810.db2.gz JKQOWVMWMFLUFU-LLVKDONJSA-N 1 2 296.392 1.432 20 30 CDEDLO C=C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000133775826 538830808 /nfs/dbraw/zinc/83/08/08/538830808.db2.gz KNRMGIYJHXQIJS-VIFPVBQESA-N 1 2 286.335 1.511 20 30 CDEDLO C#Cc1cccc(NC(=O)NCC[N@@H+]2CCO[C@H](C)C2)c1 ZINC000726257468 574495506 /nfs/dbraw/zinc/49/55/06/574495506.db2.gz HBRDYHYZOPUHMN-CYBMUJFWSA-N 1 2 287.363 1.510 20 30 CDEDLO C#Cc1cccc(NC(=O)NCC[N@H+]2CCO[C@H](C)C2)c1 ZINC000726257468 574495508 /nfs/dbraw/zinc/49/55/08/574495508.db2.gz HBRDYHYZOPUHMN-CYBMUJFWSA-N 1 2 287.363 1.510 20 30 CDEDLO C=CC[C@H](C)C(C)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000727777329 574598229 /nfs/dbraw/zinc/59/82/29/574598229.db2.gz PHHLSGXRISIPMO-LBPRGKRZSA-N 1 2 298.456 1.371 20 30 CDEDLO CN(C)C(=S)N[NH+]=Cc1ccc(N(C)CCC#N)cc1 ZINC000731563044 575054049 /nfs/dbraw/zinc/05/40/49/575054049.db2.gz QLGIXUGHCUQCEW-UHFFFAOYSA-N 1 2 289.408 1.806 20 30 CDEDLO CC#CCCCC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767671801 576218373 /nfs/dbraw/zinc/21/83/73/576218373.db2.gz OPHRUVWJGOMDKH-OKILXGFUSA-N 1 2 265.353 1.586 20 30 CDEDLO CC#CCCCC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767671801 576218376 /nfs/dbraw/zinc/21/83/76/576218376.db2.gz OPHRUVWJGOMDKH-OKILXGFUSA-N 1 2 265.353 1.586 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761075992 576542941 /nfs/dbraw/zinc/54/29/41/576542941.db2.gz GGTPUZUFPHJKCL-KBPBESRZSA-N 1 2 267.417 1.435 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761075992 576542943 /nfs/dbraw/zinc/54/29/43/576542943.db2.gz GGTPUZUFPHJKCL-KBPBESRZSA-N 1 2 267.417 1.435 20 30 CDEDLO C[C@@H](C(=O)OCCCCC#N)[NH+]1CCSCC1 ZINC000774993834 575259638 /nfs/dbraw/zinc/25/96/38/575259638.db2.gz WYSCPMKXHAIHSD-NSHDSACASA-N 1 2 256.371 1.661 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CCCC3(CC3)C2)c1=S ZINC000769799466 575385881 /nfs/dbraw/zinc/38/58/81/575385881.db2.gz KNSRJDPNFCTWBJ-UHFFFAOYSA-N 1 2 265.386 1.829 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CCCC3(CC3)C2)c1=S ZINC000769799466 575385883 /nfs/dbraw/zinc/38/58/83/575385883.db2.gz KNSRJDPNFCTWBJ-UHFFFAOYSA-N 1 2 265.386 1.829 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000735507103 575474985 /nfs/dbraw/zinc/47/49/85/575474985.db2.gz ZFYQODXXPAKXNU-VIFPVBQESA-N 1 2 274.303 1.597 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000735507103 575474986 /nfs/dbraw/zinc/47/49/86/575474986.db2.gz ZFYQODXXPAKXNU-VIFPVBQESA-N 1 2 274.303 1.597 20 30 CDEDLO C=CC[N@@H+](CCS(N)(=O)=O)Cc1cccs1 ZINC000735883392 575527068 /nfs/dbraw/zinc/52/70/68/575527068.db2.gz IIXYIZRDLMSAHK-UHFFFAOYSA-N 1 2 260.384 1.025 20 30 CDEDLO C=CC[N@H+](CCS(N)(=O)=O)Cc1cccs1 ZINC000735883392 575527071 /nfs/dbraw/zinc/52/70/71/575527071.db2.gz IIXYIZRDLMSAHK-UHFFFAOYSA-N 1 2 260.384 1.025 20 30 CDEDLO CCCCCCN(CC[NH+]1CCOCC1)C(=O)[C@@H](C)C#N ZINC000736671778 575715960 /nfs/dbraw/zinc/71/59/60/575715960.db2.gz GYKRAKVJPDDYPI-HNNXBMFYSA-N 1 2 295.427 1.887 20 30 CDEDLO CCOc1ccc(/C=[NH+]/CC(C)(C)C(=O)NC)c(O)c1 ZINC000772801347 575754893 /nfs/dbraw/zinc/75/48/93/575754893.db2.gz DYLOTQTUVRGMMC-RQZCQDPDSA-N 1 2 278.352 1.982 20 30 CDEDLO C#C[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)[C@H]1CCCO1 ZINC000772883340 575762884 /nfs/dbraw/zinc/76/28/84/575762884.db2.gz ZIOCCVUHACINTB-ZIAGYGMSSA-N 1 2 283.331 1.174 20 30 CDEDLO CC1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766612734 576115746 /nfs/dbraw/zinc/11/57/46/576115746.db2.gz YZZSNBDXXYSUJC-UHFFFAOYSA-N 1 2 271.364 1.898 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(C#N)cn2)C1 ZINC000768142575 576260907 /nfs/dbraw/zinc/26/09/07/576260907.db2.gz GKSJITNGAQAMLL-ZDUSSCGKSA-N 1 2 295.346 1.707 20 30 CDEDLO C=CCN1CC(=O)N(Cc2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC000761160086 576556061 /nfs/dbraw/zinc/55/60/61/576556061.db2.gz OKZFQIWJZULLRE-UHFFFAOYSA-N 1 2 296.330 1.823 20 30 CDEDLO CN1CCC(=NNc2cc[nH+]c3ccccc23)C1=O ZINC000761806780 576594499 /nfs/dbraw/zinc/59/44/99/576594499.db2.gz IMONEKOFXMKSDN-UHFFFAOYSA-N 1 2 254.293 1.287 20 30 CDEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)c1nccs1 ZINC000761835199 576596686 /nfs/dbraw/zinc/59/66/86/576596686.db2.gz LEUHIXKJJCUZIZ-UHFFFAOYSA-N 1 2 285.336 1.955 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CCCOc2cccnc2)CC1 ZINC000742670610 576611828 /nfs/dbraw/zinc/61/18/28/576611828.db2.gz LNXYUMFZLITFIV-UHFFFAOYSA-N 1 2 287.363 1.018 20 30 CDEDLO C[S@@](=O)CC[NH+]1CCN(Cc2cccc(C#N)c2)CC1 ZINC000746470233 576777907 /nfs/dbraw/zinc/77/79/07/576777907.db2.gz RCSXISJSGRCUBK-HXUWFJFHSA-N 1 2 291.420 1.054 20 30 CDEDLO C#CC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000754005985 576873227 /nfs/dbraw/zinc/87/32/27/576873227.db2.gz JFMQPFPBMLXUFO-UHFFFAOYSA-N 1 2 293.330 1.895 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]NCCCc1ccccc1 ZINC000747631518 576877756 /nfs/dbraw/zinc/87/77/56/576877756.db2.gz PKLIQLHWEXZQIV-UHFFFAOYSA-N 1 2 285.351 1.624 20 30 CDEDLO CCCON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000754280291 576890018 /nfs/dbraw/zinc/89/00/18/576890018.db2.gz MCCYWVVXXWWSDD-UHFFFAOYSA-N 1 2 277.368 1.566 20 30 CDEDLO Cc1[nH+]cc(C=NN[C@@H](C)CO)n1-c1ccccc1 ZINC000755759138 576959475 /nfs/dbraw/zinc/95/94/75/576959475.db2.gz VHGNCYYGMYRVHP-NSHDSACASA-N 1 2 258.325 1.485 20 30 CDEDLO C=CCn1nnn(C[N@H+](C)CCC2CCOCC2)c1=S ZINC000757613049 577046000 /nfs/dbraw/zinc/04/60/00/577046000.db2.gz YHTWJONNLAELQA-UHFFFAOYSA-N 1 2 297.428 1.701 20 30 CDEDLO C=CCn1nnn(C[N@@H+](C)CCC2CCOCC2)c1=S ZINC000757613049 577046002 /nfs/dbraw/zinc/04/60/02/577046002.db2.gz YHTWJONNLAELQA-UHFFFAOYSA-N 1 2 297.428 1.701 20 30 CDEDLO N#Cc1cccn(C[N@@H+]2CCOC3(CCCC3)C2)c1=O ZINC000758241239 577089301 /nfs/dbraw/zinc/08/93/01/577089301.db2.gz SQDZEDLZJLMNJD-UHFFFAOYSA-N 1 2 273.336 1.322 20 30 CDEDLO N#Cc1cccn(C[N@H+]2CCOC3(CCCC3)C2)c1=O ZINC000758241239 577089303 /nfs/dbraw/zinc/08/93/03/577089303.db2.gz SQDZEDLZJLMNJD-UHFFFAOYSA-N 1 2 273.336 1.322 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CCC[C@H]2C[C@H](C)O)c1=S ZINC000752809213 577129043 /nfs/dbraw/zinc/12/90/43/577129043.db2.gz FBYUZTBWPGLIMC-QWRGUYRKSA-N 1 2 283.401 1.188 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1=S ZINC000752809213 577129044 /nfs/dbraw/zinc/12/90/44/577129044.db2.gz FBYUZTBWPGLIMC-QWRGUYRKSA-N 1 2 283.401 1.188 20 30 CDEDLO COCCOCCO[NH+]=C(N)c1ccc(F)cc1 ZINC000758762305 577131543 /nfs/dbraw/zinc/13/15/43/577131543.db2.gz FLMCYFGWOLPELW-UHFFFAOYSA-N 1 2 256.277 1.126 20 30 CDEDLO CC[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)C[C@H](C)C#N ZINC000825428383 608598693 /nfs/dbraw/zinc/59/86/93/608598693.db2.gz LGVLGIWEJNNOJR-SECBINFHSA-N 1 2 260.301 1.441 20 30 CDEDLO CC[N@H+](Cc1ccc(-c2nn[nH]n2)o1)C[C@H](C)C#N ZINC000825428383 608598696 /nfs/dbraw/zinc/59/86/96/608598696.db2.gz LGVLGIWEJNNOJR-SECBINFHSA-N 1 2 260.301 1.441 20 30 CDEDLO C=CCSCCNc1[nH+]ccc(C)c1-c1nn[nH]n1 ZINC000823937326 609540346 /nfs/dbraw/zinc/54/03/46/609540346.db2.gz RYFJLYPMUUZNAF-UHFFFAOYSA-N 1 2 276.369 1.901 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2conc2CC)C1 ZINC000951697333 612992862 /nfs/dbraw/zinc/99/28/62/612992862.db2.gz NXSLLGFSWFODSO-UHFFFAOYSA-N 1 2 275.352 1.407 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2nc(CC)oc2C)CC1 ZINC000982172945 613160297 /nfs/dbraw/zinc/16/02/97/613160297.db2.gz VIGGSOGGYDWNNN-UHFFFAOYSA-N 1 2 275.352 1.327 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2nc(CC)oc2C)CC1 ZINC000982172945 613160298 /nfs/dbraw/zinc/16/02/98/613160298.db2.gz VIGGSOGGYDWNNN-UHFFFAOYSA-N 1 2 275.352 1.327 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3C=CCC3)C2)C1 ZINC000972247208 613212448 /nfs/dbraw/zinc/21/24/48/613212448.db2.gz BXAYORSKYILWGP-NVXWUHKLSA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3C=CCC3)C2)C1 ZINC000972247208 613212449 /nfs/dbraw/zinc/21/24/49/613212449.db2.gz BXAYORSKYILWGP-NVXWUHKLSA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2sc(C)nc2C)C1 ZINC000968628351 613222240 /nfs/dbraw/zinc/22/22/40/613222240.db2.gz WZRKYQHLVJBCBZ-ZWNOBZJWSA-N 1 2 291.420 1.833 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2sc(C)nc2C)C1 ZINC000968628351 613222242 /nfs/dbraw/zinc/22/22/42/613222242.db2.gz WZRKYQHLVJBCBZ-ZWNOBZJWSA-N 1 2 291.420 1.833 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2snnc2CC)C1 ZINC000967279277 613251011 /nfs/dbraw/zinc/25/10/11/613251011.db2.gz JWOXCLOXGNSUGK-JQWIXIFHSA-N 1 2 292.408 1.174 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2snnc2CC)C1 ZINC000967279277 613251012 /nfs/dbraw/zinc/25/10/12/613251012.db2.gz JWOXCLOXGNSUGK-JQWIXIFHSA-N 1 2 292.408 1.174 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CC23CCOCC3)C1 ZINC000957474928 613295168 /nfs/dbraw/zinc/29/51/68/613295168.db2.gz YULUCEHZWKRWOY-OAHLLOKOSA-N 1 2 292.423 1.912 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@@H]2OC)C1 ZINC000950666524 613295374 /nfs/dbraw/zinc/29/53/74/613295374.db2.gz HQWNSIZFNUBLGV-GJZGRUSLSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](OC)C(C)C)CC1 ZINC000950035579 613318834 /nfs/dbraw/zinc/31/88/34/613318834.db2.gz ZLUNBBXABXUUSH-CYBMUJFWSA-N 1 2 254.374 1.378 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(C)nn2CC)CC1 ZINC000950673877 613320215 /nfs/dbraw/zinc/32/02/15/613320215.db2.gz BBHYLVYDVWQNFZ-UHFFFAOYSA-N 1 2 276.384 1.545 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2coc(COC)n2)CC1 ZINC000956958743 613321684 /nfs/dbraw/zinc/32/16/84/613321684.db2.gz YGODPUUKTOBPNV-UHFFFAOYSA-N 1 2 279.340 1.155 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2coc(CC3CC3)n2)CC1 ZINC000956961369 613321747 /nfs/dbraw/zinc/32/17/47/613321747.db2.gz VDBJDEXLICRZOJ-UHFFFAOYSA-N 1 2 289.379 1.961 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnoc2CC)CC1 ZINC000951082864 613321951 /nfs/dbraw/zinc/32/19/51/613321951.db2.gz QMAYEEHUWVNMLE-UHFFFAOYSA-N 1 2 263.341 1.571 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC000968258008 613326391 /nfs/dbraw/zinc/32/63/91/613326391.db2.gz XXBLZSNEOPBITI-ZYHUDNBSSA-N 1 2 280.347 1.565 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC000968258008 613326392 /nfs/dbraw/zinc/32/63/92/613326392.db2.gz XXBLZSNEOPBITI-ZYHUDNBSSA-N 1 2 280.347 1.565 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnsn2)C1 ZINC000969330718 613371903 /nfs/dbraw/zinc/37/19/03/613371903.db2.gz WOJSDYZJSSUHME-MRVPVSSYSA-N 1 2 286.788 1.341 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cc2ccn(C)n2)CC1 ZINC000981143136 613373327 /nfs/dbraw/zinc/37/33/27/613373327.db2.gz COCIDZXGUZIOBJ-UHFFFAOYSA-N 1 2 296.802 1.249 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cc2ccn(C)n2)CC1 ZINC000981143136 613373328 /nfs/dbraw/zinc/37/33/28/613373328.db2.gz COCIDZXGUZIOBJ-UHFFFAOYSA-N 1 2 296.802 1.249 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2ccon2)C1 ZINC000965564621 613377837 /nfs/dbraw/zinc/37/78/37/613377837.db2.gz ZIBHINMZHFOJTI-GXFFZTMASA-N 1 2 297.786 1.796 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2ccon2)C1 ZINC000965564621 613377838 /nfs/dbraw/zinc/37/78/38/613377838.db2.gz ZIBHINMZHFOJTI-GXFFZTMASA-N 1 2 297.786 1.796 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C)o2)C1 ZINC000957850808 613380219 /nfs/dbraw/zinc/38/02/19/613380219.db2.gz DHGZDINUWNJJNT-NWDGAFQWSA-N 1 2 298.770 1.363 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C)o2)C1 ZINC000957850808 613380220 /nfs/dbraw/zinc/38/02/20/613380220.db2.gz DHGZDINUWNJJNT-NWDGAFQWSA-N 1 2 298.770 1.363 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(C)o2)C1 ZINC000957850807 613381194 /nfs/dbraw/zinc/38/11/94/613381194.db2.gz DHGZDINUWNJJNT-NEPJUHHUSA-N 1 2 298.770 1.363 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(C)o2)C1 ZINC000957850807 613381195 /nfs/dbraw/zinc/38/11/95/613381195.db2.gz DHGZDINUWNJJNT-NEPJUHHUSA-N 1 2 298.770 1.363 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c([C@H](C)O)c1 ZINC000804801680 617334149 /nfs/dbraw/zinc/33/41/49/617334149.db2.gz BMXKKYBWVOJZKD-NHYWBVRUSA-N 1 2 290.338 1.915 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c([C@H](C)O)c1 ZINC000804801680 617334150 /nfs/dbraw/zinc/33/41/50/617334150.db2.gz BMXKKYBWVOJZKD-NHYWBVRUSA-N 1 2 290.338 1.915 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nc(CC)no2)C1 ZINC000969584605 613436372 /nfs/dbraw/zinc/43/63/72/613436372.db2.gz KFDTWXVDEAANAK-LLVKDONJSA-N 1 2 292.383 1.535 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCc2cc(C)on2)CC1 ZINC000950438977 613561831 /nfs/dbraw/zinc/56/18/31/613561831.db2.gz SEFNAMIREQPQKE-UHFFFAOYSA-N 1 2 275.352 1.083 20 30 CDEDLO O=C(NCC#C[C@H]1CCCCO1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000891117599 617366047 /nfs/dbraw/zinc/36/60/47/617366047.db2.gz WXTJRQBKCHWQJM-ZIAGYGMSSA-N 1 2 287.363 1.134 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ncccc2O)C1 ZINC000965940493 613595285 /nfs/dbraw/zinc/59/52/85/613595285.db2.gz HPWLJBBJTOUNOO-QWHCGFSZSA-N 1 2 287.363 1.251 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ncccc2O)C1 ZINC000965940493 613595286 /nfs/dbraw/zinc/59/52/86/613595286.db2.gz HPWLJBBJTOUNOO-QWHCGFSZSA-N 1 2 287.363 1.251 20 30 CDEDLO C=CC[N@@H+](C)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971570061 613631308 /nfs/dbraw/zinc/63/13/08/613631308.db2.gz GWSXWBFQXWQRII-DTWKUNHWSA-N 1 2 268.254 1.606 20 30 CDEDLO C=CC[N@H+](C)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971570061 613631309 /nfs/dbraw/zinc/63/13/09/613631309.db2.gz GWSXWBFQXWQRII-DTWKUNHWSA-N 1 2 268.254 1.606 20 30 CDEDLO C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000971570061 613631311 /nfs/dbraw/zinc/63/13/11/613631311.db2.gz GWSXWBFQXWQRII-DTWKUNHWSA-N 1 2 268.254 1.606 20 30 CDEDLO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000971570061 613631313 /nfs/dbraw/zinc/63/13/13/613631313.db2.gz GWSXWBFQXWQRII-DTWKUNHWSA-N 1 2 268.254 1.606 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC000952311333 613654848 /nfs/dbraw/zinc/65/48/48/613654848.db2.gz MPEZOLBOCSJSMZ-JKSUJKDBSA-N 1 2 285.391 1.904 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCCc3cn[nH]c32)C1 ZINC000950097426 613655510 /nfs/dbraw/zinc/65/55/10/613655510.db2.gz PICTVXDZYOEWIX-AWEZNQCLSA-N 1 2 288.395 1.548 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000949981676 613656045 /nfs/dbraw/zinc/65/60/45/613656045.db2.gz UHPXKMPYGNXHMV-QWRGUYRKSA-N 1 2 258.312 1.606 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cc(C)[nH]c2C)C1 ZINC000952372555 613656712 /nfs/dbraw/zinc/65/67/12/613656712.db2.gz OHHKIHVDCBDDRF-UHFFFAOYSA-N 1 2 261.369 1.964 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)[C@@H]2CCCO2)CC1 ZINC000950360663 613710465 /nfs/dbraw/zinc/71/04/65/613710465.db2.gz QEIJCSCGKYMAQN-STQMWFEESA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@@]2(C)C(C)C)CC1 ZINC000956978905 613711583 /nfs/dbraw/zinc/71/15/83/613711583.db2.gz GHPNUNFJLKZSPH-ZFWWWQNUSA-N 1 2 250.386 1.999 20 30 CDEDLO C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccsc1 ZINC000048921735 618055914 /nfs/dbraw/zinc/05/59/14/618055914.db2.gz CDKREEHAHBTBFS-UHFFFAOYSA-N 1 2 290.392 1.836 20 30 CDEDLO C[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccsc1 ZINC000048921735 618055921 /nfs/dbraw/zinc/05/59/21/618055921.db2.gz CDKREEHAHBTBFS-UHFFFAOYSA-N 1 2 290.392 1.836 20 30 CDEDLO N#Cc1ccc2c(n1)CCCN2C(=O)CCCn1cc[nH+]c1 ZINC000892405947 618158117 /nfs/dbraw/zinc/15/81/17/618158117.db2.gz WOKZTNMDNLXVSN-UHFFFAOYSA-N 1 2 295.346 1.909 20 30 CDEDLO C=CC[C@@H](CO)CNc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000893096923 618163808 /nfs/dbraw/zinc/16/38/08/618163808.db2.gz WSSCPGYNMOIOFA-NEPJUHHUSA-N 1 2 280.372 1.256 20 30 CDEDLO C=CC[C@@H](CO)CNc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000893096923 618163815 /nfs/dbraw/zinc/16/38/15/618163815.db2.gz WSSCPGYNMOIOFA-NEPJUHHUSA-N 1 2 280.372 1.256 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)OCc1cc[nH+]c(N)c1 ZINC000792168591 619015626 /nfs/dbraw/zinc/01/56/26/619015626.db2.gz BAMQTQCHJRJTNU-AWEZNQCLSA-N 1 2 264.325 1.936 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCCN1O ZINC000895166771 619395592 /nfs/dbraw/zinc/39/55/92/619395592.db2.gz RMYBOXGOORUJQJ-NSHDSACASA-N 1 2 299.714 1.718 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](Nc2nccnc2Cl)C1 ZINC000895201273 619452268 /nfs/dbraw/zinc/45/22/68/619452268.db2.gz MVFGBNJSZTVZMO-SNVBAGLBSA-N 1 2 250.733 1.640 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](Nc2nccnc2Cl)C1 ZINC000895201273 619452270 /nfs/dbraw/zinc/45/22/70/619452270.db2.gz MVFGBNJSZTVZMO-SNVBAGLBSA-N 1 2 250.733 1.640 20 30 CDEDLO C=C1CCC(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000896049017 619958534 /nfs/dbraw/zinc/95/85/34/619958534.db2.gz KKYMLJLWIHBZCG-UHFFFAOYSA-N 1 2 280.412 1.960 20 30 CDEDLO C=C1CCC(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000896049017 619958537 /nfs/dbraw/zinc/95/85/37/619958537.db2.gz KKYMLJLWIHBZCG-UHFFFAOYSA-N 1 2 280.412 1.960 20 30 CDEDLO C=C(Cl)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000896451935 620097085 /nfs/dbraw/zinc/09/70/85/620097085.db2.gz JKSQERSDFJNQTM-LLVKDONJSA-N 1 2 268.748 1.659 20 30 CDEDLO C=C(Cl)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000896451935 620097088 /nfs/dbraw/zinc/09/70/88/620097088.db2.gz JKSQERSDFJNQTM-LLVKDONJSA-N 1 2 268.748 1.659 20 30 CDEDLO C=C1CCN(C(=O)N[C@H](CC)C[NH+]2CCOCC2)CC1 ZINC000896634339 620174631 /nfs/dbraw/zinc/17/46/31/620174631.db2.gz XODGACIOAFJUCU-CQSZACIVSA-N 1 2 281.400 1.459 20 30 CDEDLO C=C1CCN(C(=O)N[C@@H](CC)C[NH+]2CCOCC2)CC1 ZINC000896634338 620174729 /nfs/dbraw/zinc/17/47/29/620174729.db2.gz XODGACIOAFJUCU-AWEZNQCLSA-N 1 2 281.400 1.459 20 30 CDEDLO C#Cc1ccc(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000897600970 621017339 /nfs/dbraw/zinc/01/73/39/621017339.db2.gz YOYNJQKWGRELRZ-AWEZNQCLSA-N 1 2 286.375 1.461 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCc2cc[nH]c(=O)c21 ZINC000898915009 621954290 /nfs/dbraw/zinc/95/42/90/621954290.db2.gz ZFAWNSKVMZEBGT-ZDUSSCGKSA-N 1 2 285.347 1.164 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCc2cc[nH]c(=O)c21 ZINC000898915009 621954296 /nfs/dbraw/zinc/95/42/96/621954296.db2.gz ZFAWNSKVMZEBGT-ZDUSSCGKSA-N 1 2 285.347 1.164 20 30 CDEDLO N#Cc1cccc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)c1 ZINC000901252303 624042918 /nfs/dbraw/zinc/04/29/18/624042918.db2.gz ZOWCUIFXCLAOPM-HNNXBMFYSA-N 1 2 296.330 1.424 20 30 CDEDLO Cn1c[nH+]cc1/C=C1\S/C(=N/C2CCCC2)NC1=O ZINC000901431314 624243896 /nfs/dbraw/zinc/24/38/96/624243896.db2.gz SFZAYCGHFWCXNK-WDZFZDKYSA-N 1 2 276.365 1.923 20 30 CDEDLO CC(C)n1c[nH+]cc1/C=C1\C(=O)c2ncnn2[C@H]1C ZINC000905086090 626603131 /nfs/dbraw/zinc/60/31/31/626603131.db2.gz RAJROVIJKHMENH-SYUPGTOSSA-N 1 2 257.297 1.896 20 30 CDEDLO C(=[NH+]OC[C@H]1CCOC1)c1cnc(N2CCOCC2)s1 ZINC000788030042 631579869 /nfs/dbraw/zinc/57/98/69/631579869.db2.gz JJPQZCFKWAVTNC-NSHDSACASA-N 1 2 297.380 1.367 20 30 CDEDLO Cc1nnc(C)n1N=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000917028865 632129920 /nfs/dbraw/zinc/12/99/20/632129920.db2.gz WREQRHJZXBZERC-UHFFFAOYSA-N 1 2 266.308 1.963 20 30 CDEDLO CCc1nc(C[NH2+]CCCNC(=O)C#CC(C)(C)C)no1 ZINC001157718763 1162340431 /nfs/dbraw/zinc/34/04/31/1162340431.db2.gz IQEXAFIWINAMJZ-UHFFFAOYSA-N 1 2 292.383 1.277 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCO[C@H]1CC ZINC001017609977 1159489330 /nfs/dbraw/zinc/48/93/30/1159489330.db2.gz UGNSDZPBDOQZJA-QXSJWSMHSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCO[C@H]1CC ZINC001017609977 1159489332 /nfs/dbraw/zinc/48/93/32/1159489332.db2.gz UGNSDZPBDOQZJA-QXSJWSMHSA-N 1 2 290.407 1.500 20 30 CDEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cnnn2C)C1 ZINC001131899083 1163100944 /nfs/dbraw/zinc/10/09/44/1163100944.db2.gz IFIGFNSESGLUIT-STQMWFEESA-N 1 2 291.399 1.250 20 30 CDEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cnnn2C)C1 ZINC001131899083 1163100945 /nfs/dbraw/zinc/10/09/45/1163100945.db2.gz IFIGFNSESGLUIT-STQMWFEESA-N 1 2 291.399 1.250 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC001227313181 1160314462 /nfs/dbraw/zinc/31/44/62/1160314462.db2.gz XIINJRODSBXFDL-GFCCVEGCSA-N 1 2 277.280 1.176 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC001227313181 1160314469 /nfs/dbraw/zinc/31/44/69/1160314469.db2.gz XIINJRODSBXFDL-GFCCVEGCSA-N 1 2 277.280 1.176 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001038517964 1160868192 /nfs/dbraw/zinc/86/81/92/1160868192.db2.gz OMRUYSVWRVYODN-AWEZNQCLSA-N 1 2 260.381 1.781 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001038517964 1160868200 /nfs/dbraw/zinc/86/82/00/1160868200.db2.gz OMRUYSVWRVYODN-AWEZNQCLSA-N 1 2 260.381 1.781 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2CCc3ccccc32)C1 ZINC001031125605 1161136889 /nfs/dbraw/zinc/13/68/89/1161136889.db2.gz RAFZPZXUACNWII-OAHLLOKOSA-N 1 2 282.387 1.930 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC001112597901 1162045530 /nfs/dbraw/zinc/04/55/30/1162045530.db2.gz DVRCDUPRLFWHIY-UHFFFAOYSA-N 1 2 292.354 1.786 20 30 CDEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC001113229100 1162133469 /nfs/dbraw/zinc/13/34/69/1162133469.db2.gz CTFHZSTXUWGWNW-HUUCEWRRSA-N 1 2 298.427 1.252 20 30 CDEDLO CC(=O)Nc1ccc(C=NNc2[nH+]ccn2C)cc1 ZINC000790299841 1162143671 /nfs/dbraw/zinc/14/36/71/1162143671.db2.gz KUPWWHVWENMNNX-UHFFFAOYSA-N 1 2 257.297 1.825 20 30 CDEDLO Cn1c(CC#N)nn(C[N@H+](C)CC2CCOCC2)c1=S ZINC000794641228 1164526596 /nfs/dbraw/zinc/52/65/96/1164526596.db2.gz VZMHZVMDWDMYLD-UHFFFAOYSA-N 1 2 295.412 1.333 20 30 CDEDLO Cn1c(CC#N)nn(C[N@@H+](C)CC2CCOCC2)c1=S ZINC000794641228 1164526599 /nfs/dbraw/zinc/52/65/99/1164526599.db2.gz VZMHZVMDWDMYLD-UHFFFAOYSA-N 1 2 295.412 1.333 20 30 CDEDLO N#C[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)C1CCCCC1 ZINC000866344219 1164768924 /nfs/dbraw/zinc/76/89/24/1164768924.db2.gz RQKFYNKUVKCEFY-IJVDHGTGSA-N 1 2 291.395 1.463 20 30 CDEDLO C(=NN1CCC1)c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872398842 1165427100 /nfs/dbraw/zinc/42/71/00/1165427100.db2.gz JWJWWNKJXQBOJM-UHFFFAOYSA-N 1 2 289.379 1.437 20 30 CDEDLO C#CC[N@@H+](Cc1cnc(CCOC)s1)C1CC1 ZINC000877371567 1166025157 /nfs/dbraw/zinc/02/51/57/1166025157.db2.gz JMRWPWRXXRSHMU-UHFFFAOYSA-N 1 2 250.367 1.930 20 30 CDEDLO C#CC[N@H+](Cc1cnc(CCOC)s1)C1CC1 ZINC000877371567 1166025158 /nfs/dbraw/zinc/02/51/58/1166025158.db2.gz JMRWPWRXXRSHMU-UHFFFAOYSA-N 1 2 250.367 1.930 20 30 CDEDLO C=CC(C)(C)C(=O)NC1CC[NH+](Cc2nnc(C)o2)CC1 ZINC001228622612 1167384212 /nfs/dbraw/zinc/38/42/12/1167384212.db2.gz ZSZCRULSSYYKJM-UHFFFAOYSA-N 1 2 292.383 1.671 20 30 CDEDLO N#Cc1c2c(cn(C[N@H+]3CC[C@@H](CF)C3)c1=O)CCC2 ZINC001646171542 1167678169 /nfs/dbraw/zinc/67/81/69/1167678169.db2.gz FKYGNGJSOMXDIX-NSHDSACASA-N 1 2 275.327 1.458 20 30 CDEDLO N#Cc1c2c(cn(C[N@@H+]3CC[C@@H](CF)C3)c1=O)CCC2 ZINC001646171542 1167678171 /nfs/dbraw/zinc/67/81/71/1167678171.db2.gz FKYGNGJSOMXDIX-NSHDSACASA-N 1 2 275.327 1.458 20 30 CDEDLO CCNc1ccc(C#N)cc1NC(=O)C[C@H]([NH3+])C(F)F ZINC001577902359 1171763284 /nfs/dbraw/zinc/76/32/84/1171763284.db2.gz OCHDNRQXRPGRGB-VIFPVBQESA-N 1 2 282.294 1.911 20 30 CDEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC001602850882 1175435164 /nfs/dbraw/zinc/43/51/64/1175435164.db2.gz YCOXHQGMYGLVAQ-UHFFFAOYSA-N 1 2 298.350 1.479 20 30 CDEDLO CC#CCCCC(=O)NC[C@H](C)[NH2+][C@H](C)c1nc(C)no1 ZINC001752894945 1184954619 /nfs/dbraw/zinc/95/46/19/1184954619.db2.gz YBUBTPMVGBPGII-NWDGAFQWSA-N 1 2 292.383 1.727 20 30 CDEDLO C#CCCCC(=O)NC[C@@H]1CC[N@@H+](Cc2nc(C)no2)C1 ZINC001753124379 1185073956 /nfs/dbraw/zinc/07/39/56/1185073956.db2.gz ZAXDDVOTMCHSBB-ZDUSSCGKSA-N 1 2 290.367 1.120 20 30 CDEDLO C#CCCCC(=O)NC[C@@H]1CC[N@H+](Cc2nc(C)no2)C1 ZINC001753124379 1185073960 /nfs/dbraw/zinc/07/39/60/1185073960.db2.gz ZAXDDVOTMCHSBB-ZDUSSCGKSA-N 1 2 290.367 1.120 20 30 CDEDLO C=CCOCC[NH+]1CC(NC(=O)[C@@H](C)C(C)C)C1 ZINC001753390690 1185182942 /nfs/dbraw/zinc/18/29/42/1185182942.db2.gz XFZOCKXJXSIINV-LBPRGKRZSA-N 1 2 254.374 1.282 20 30 CDEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)SC ZINC001753419162 1185196079 /nfs/dbraw/zinc/19/60/79/1185196079.db2.gz DUSHTWYIMCGLHM-IHRRRGAJSA-N 1 2 296.436 1.063 20 30 CDEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)SC ZINC001753419162 1185196084 /nfs/dbraw/zinc/19/60/84/1185196084.db2.gz DUSHTWYIMCGLHM-IHRRRGAJSA-N 1 2 296.436 1.063 20 30 CDEDLO C=CCCC(=O)N(C)CC[N@H+](C)Cc1ccns1 ZINC001753849465 1185358359 /nfs/dbraw/zinc/35/83/59/1185358359.db2.gz GOPSENCZOVLNHR-UHFFFAOYSA-N 1 2 267.398 2.000 20 30 CDEDLO C=CCCC(=O)N(C)CC[N@@H+](C)Cc1ccns1 ZINC001753849465 1185358362 /nfs/dbraw/zinc/35/83/62/1185358362.db2.gz GOPSENCZOVLNHR-UHFFFAOYSA-N 1 2 267.398 2.000 20 30 CDEDLO C#CCCCCC(=O)N[C@H](C)C[NH2+][C@H](C)c1csnn1 ZINC001754223655 1185515635 /nfs/dbraw/zinc/51/56/35/1185515635.db2.gz GCYNZQHYIJNKJV-VXGBXAGGSA-N 1 2 294.424 1.887 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)C1 ZINC001754577425 1185672020 /nfs/dbraw/zinc/67/20/20/1185672020.db2.gz VBHDDFWRHNEOPJ-YCPHGPKFSA-N 1 2 292.423 1.768 20 30 CDEDLO CC(C)CCOCC[NH+]1CC(N(C)C(=O)C#CC2CC2)C1 ZINC001754575191 1185672074 /nfs/dbraw/zinc/67/20/74/1185672074.db2.gz OBZIAUMTWKQXDK-UHFFFAOYSA-N 1 2 292.423 1.605 20 30 CDEDLO C=CCC1(C(=O)N(C)C2C[NH+](CCOC)C2)CCC1 ZINC001754580478 1185673481 /nfs/dbraw/zinc/67/34/81/1185673481.db2.gz APEWRLJZPONZCZ-UHFFFAOYSA-N 1 2 266.385 1.522 20 30 CDEDLO CC#CC[N@H+](C)CCCN(C)C(=O)C(F)C(F)(F)F ZINC001755038065 1185794052 /nfs/dbraw/zinc/79/40/52/1185794052.db2.gz LJRKZZXSNCEGHH-SNVBAGLBSA-N 1 2 282.281 1.690 20 30 CDEDLO CC#CC[N@@H+](C)CCCN(C)C(=O)C(F)C(F)(F)F ZINC001755038065 1185794056 /nfs/dbraw/zinc/79/40/56/1185794056.db2.gz LJRKZZXSNCEGHH-SNVBAGLBSA-N 1 2 282.281 1.690 20 30 CDEDLO CC#CC[N@H+](C)CCCN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001755038065 1185794059 /nfs/dbraw/zinc/79/40/59/1185794059.db2.gz LJRKZZXSNCEGHH-SNVBAGLBSA-N 1 2 282.281 1.690 20 30 CDEDLO CC#CC[N@@H+](C)CCCN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001755038065 1185794063 /nfs/dbraw/zinc/79/40/63/1185794063.db2.gz LJRKZZXSNCEGHH-SNVBAGLBSA-N 1 2 282.281 1.690 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CCC(=C)C)CO2 ZINC001755061354 1185804566 /nfs/dbraw/zinc/80/45/66/1185804566.db2.gz JLSYECURQUGDQR-CQSZACIVSA-N 1 2 276.380 1.326 20 30 CDEDLO C=CCC(C)(C)C(=O)NC[C@H](C)[N@H+](C)Cc1ccn(C)n1 ZINC001755317672 1185914974 /nfs/dbraw/zinc/91/49/74/1185914974.db2.gz CUYKEQBTJQBUJR-ZDUSSCGKSA-N 1 2 292.427 1.959 20 30 CDEDLO C=CCC(C)(C)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccn(C)n1 ZINC001755317672 1185914979 /nfs/dbraw/zinc/91/49/79/1185914979.db2.gz CUYKEQBTJQBUJR-ZDUSSCGKSA-N 1 2 292.427 1.959 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NC1(CCO)C[NH+](CCCF)C1 ZINC001755335779 1185922700 /nfs/dbraw/zinc/92/27/00/1185922700.db2.gz VLURRPVWEFZOBY-UHFFFAOYSA-N 1 2 286.391 1.501 20 30 CDEDLO C=CC(C)(C)C(=O)NC1(CCO)C[NH+](CC(=C)C)C1 ZINC001755335554 1185922740 /nfs/dbraw/zinc/92/27/40/1185922740.db2.gz MCFUYGIMIUCZHI-UHFFFAOYSA-N 1 2 266.385 1.328 20 30 CDEDLO Cc1cc(NC(=O)[C@@H](C)n2cc[nH+]c2)nn1CCC#N ZINC001771639928 1186820796 /nfs/dbraw/zinc/82/07/96/1186820796.db2.gz UZUDFNCSLNZWST-LLVKDONJSA-N 1 2 272.312 1.501 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001609108352 1164772880 /nfs/dbraw/zinc/77/28/80/1164772880.db2.gz KSXVZLPPUMORHP-SNVBAGLBSA-N 1 2 256.313 1.601 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001609108352 1164772887 /nfs/dbraw/zinc/77/28/87/1164772887.db2.gz KSXVZLPPUMORHP-SNVBAGLBSA-N 1 2 256.313 1.601 20 30 CDEDLO CCN(CC#N)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155175402 1167101886 /nfs/dbraw/zinc/10/18/86/1167101886.db2.gz SZJHZCMYNZYUEH-NEPJUHHUSA-N 1 2 289.383 1.180 20 30 CDEDLO C=CCCC(=O)N1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001095164680 912541611 /nfs/dbraw/zinc/54/16/11/912541611.db2.gz IFOASYJUNCUUOG-UHFFFAOYSA-N 1 2 274.368 1.790 20 30 CDEDLO N#CC1([NH2+][C@H]2CCC[C@@H](n3ncnn3)C2)CCCC1 ZINC001173741603 912773850 /nfs/dbraw/zinc/77/38/50/912773850.db2.gz YFOOSLJOCVLTMK-NWDGAFQWSA-N 1 2 260.345 1.583 20 30 CDEDLO N#CC1([NH2+][C@H]2CCC[C@H](n3ncnn3)C2)CCCCC1 ZINC001173743816 912776005 /nfs/dbraw/zinc/77/60/05/912776005.db2.gz RGQVLYHUBUGNAG-STQMWFEESA-N 1 2 274.372 1.973 20 30 CDEDLO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1cocn1)CC2 ZINC001272378198 912978012 /nfs/dbraw/zinc/97/80/12/912978012.db2.gz ROMUMWQLAWBSPX-AWEZNQCLSA-N 1 2 289.379 1.969 20 30 CDEDLO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)CNc1ncccc1C#N ZINC001104226507 894247283 /nfs/dbraw/zinc/24/72/83/894247283.db2.gz SUAPHSCZFUICQW-LLVKDONJSA-N 1 2 298.350 1.083 20 30 CDEDLO N#CCN(Cc1ccccc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001176831468 914289770 /nfs/dbraw/zinc/28/97/70/914289770.db2.gz RBEBHGBOGJJSSZ-UHFFFAOYSA-N 1 2 254.293 1.505 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC(C)C)C1 ZINC001267613756 898932168 /nfs/dbraw/zinc/93/21/68/898932168.db2.gz TWZMIZYEHHWGGQ-CQSZACIVSA-N 1 2 295.427 1.448 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC(C)C)C1 ZINC001267613756 898932181 /nfs/dbraw/zinc/93/21/81/898932181.db2.gz TWZMIZYEHHWGGQ-CQSZACIVSA-N 1 2 295.427 1.448 20 30 CDEDLO CC(C)c1noc([C@H](C)[NH2+]CCN(C)C(=O)[C@@H](C)C#N)n1 ZINC001481215940 899401380 /nfs/dbraw/zinc/40/13/80/899401380.db2.gz PRHJLZJBCHNJCS-QWRGUYRKSA-N 1 2 293.371 1.462 20 30 CDEDLO CCN(CCNc1ccc(C#N)nc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001106829471 914386357 /nfs/dbraw/zinc/38/63/57/914386357.db2.gz VWVXOKWSSFMMIR-UHFFFAOYSA-N 1 2 298.350 1.179 20 30 CDEDLO C=CCOCC(=O)N1CC[C@@H]2OCC[N@@H+](CC(=C)C)[C@H]2C1 ZINC001176949755 914395708 /nfs/dbraw/zinc/39/57/08/914395708.db2.gz SGRYSYXRAGOWPE-GJZGRUSLSA-N 1 2 294.395 1.067 20 30 CDEDLO C=CCOCC(=O)N1CC[C@@H]2OCC[N@H+](CC(=C)C)[C@H]2C1 ZINC001176949755 914395725 /nfs/dbraw/zinc/39/57/25/914395725.db2.gz SGRYSYXRAGOWPE-GJZGRUSLSA-N 1 2 294.395 1.067 20 30 CDEDLO N#Cc1nc[nH]c1NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176958638 914400966 /nfs/dbraw/zinc/40/09/66/914400966.db2.gz REPZBBLHXNEGII-LLVKDONJSA-N 1 2 296.334 1.531 20 30 CDEDLO C#CCO[C@H](C)C(=O)N(CC)CCNc1cc[nH+]c(C)n1 ZINC001106853047 914435320 /nfs/dbraw/zinc/43/53/20/914435320.db2.gz WADRPXXQJCTPHQ-GFCCVEGCSA-N 1 2 290.367 1.084 20 30 CDEDLO CN(CC(=O)NC1=CC(=O)CC(C)(C)C1)c1cccc[nH+]1 ZINC001177414186 914671532 /nfs/dbraw/zinc/67/15/32/914671532.db2.gz VQFSWCCWCDLASN-UHFFFAOYSA-N 1 2 287.363 1.907 20 30 CDEDLO N#CC1(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccco2)CCC1 ZINC001177613192 914799096 /nfs/dbraw/zinc/79/90/96/914799096.db2.gz SNSDRJXKVNAUJV-ZDUSSCGKSA-N 1 2 273.336 1.806 20 30 CDEDLO N#CC1(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccco2)CCC1 ZINC001177613192 914799106 /nfs/dbraw/zinc/79/91/06/914799106.db2.gz SNSDRJXKVNAUJV-ZDUSSCGKSA-N 1 2 273.336 1.806 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccns1 ZINC001110401369 921174077 /nfs/dbraw/zinc/17/40/77/921174077.db2.gz AWLXCUGLZHMBCB-YGNMPJRFSA-N 1 2 290.392 1.524 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccns1 ZINC001110401369 921174082 /nfs/dbraw/zinc/17/40/82/921174082.db2.gz AWLXCUGLZHMBCB-YGNMPJRFSA-N 1 2 290.392 1.524 20 30 CDEDLO Cc1cnc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C)C#N)C3)cn1 ZINC001110401906 921180048 /nfs/dbraw/zinc/18/00/48/921180048.db2.gz QRTMREMAEPWFGA-QOWREQOWSA-N 1 2 299.378 1.166 20 30 CDEDLO Cc1cnc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C)C#N)C3)cn1 ZINC001110401906 921180058 /nfs/dbraw/zinc/18/00/58/921180058.db2.gz QRTMREMAEPWFGA-QOWREQOWSA-N 1 2 299.378 1.166 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2nnc[nH]2)[C@H]1CC ZINC001087788974 905847636 /nfs/dbraw/zinc/84/76/36/905847636.db2.gz SDCPIIFSYYKMAF-WDEREUQCSA-N 1 2 297.790 1.069 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2nnc[nH]2)[C@H]1CC ZINC001087788974 905847647 /nfs/dbraw/zinc/84/76/47/905847647.db2.gz SDCPIIFSYYKMAF-WDEREUQCSA-N 1 2 297.790 1.069 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccco2)[C@H](O)C1 ZINC001090021642 921365703 /nfs/dbraw/zinc/36/57/03/921365703.db2.gz WOFNJCIQMUFWIU-WDEREUQCSA-N 1 2 284.743 1.197 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccco2)[C@H](O)C1 ZINC001090021642 921365712 /nfs/dbraw/zinc/36/57/12/921365712.db2.gz WOFNJCIQMUFWIU-WDEREUQCSA-N 1 2 284.743 1.197 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C)o2)[C@@H](O)C1 ZINC001090052031 921490364 /nfs/dbraw/zinc/49/03/64/921490364.db2.gz UTZHONGOGTVXCR-NEPJUHHUSA-N 1 2 298.770 1.506 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)o2)[C@@H](O)C1 ZINC001090052031 921490370 /nfs/dbraw/zinc/49/03/70/921490370.db2.gz UTZHONGOGTVXCR-NEPJUHHUSA-N 1 2 298.770 1.506 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CC1)c1nccn12 ZINC001092337797 909376585 /nfs/dbraw/zinc/37/65/85/909376585.db2.gz BNILYOSUOZEOHX-GFCCVEGCSA-N 1 2 272.352 1.051 20 30 CDEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001093515231 909890737 /nfs/dbraw/zinc/89/07/37/909890737.db2.gz RTVVUHMMQTYSTD-ZDUSSCGKSA-N 1 2 291.395 1.414 20 30 CDEDLO C#Cc1ccc(C(=O)NCCCNc2cc[nH+]c(C)n2)cn1 ZINC001094510528 910633672 /nfs/dbraw/zinc/63/36/72/910633672.db2.gz PXLRREBVOIPZSM-UHFFFAOYSA-N 1 2 295.346 1.393 20 30 CDEDLO C#CCOCCC(=O)NCC[NH2+]Cc1ncc(C(C)C)o1 ZINC001127023528 910778920 /nfs/dbraw/zinc/77/89/20/910778920.db2.gz NKDHEGSDAWGMSV-UHFFFAOYSA-N 1 2 293.367 1.044 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccon2)C1 ZINC001189917520 921721944 /nfs/dbraw/zinc/72/19/44/921721944.db2.gz HNSKTLFCKVAYBC-UKRRQHHQSA-N 1 2 293.367 1.034 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccon2)C1 ZINC001189917520 921721949 /nfs/dbraw/zinc/72/19/49/921721949.db2.gz HNSKTLFCKVAYBC-UKRRQHHQSA-N 1 2 293.367 1.034 20 30 CDEDLO C[C@H](C(=O)NC1=CC(=O)CC(C)(C)C1)n1cc[nH+]c1 ZINC001177927673 915054543 /nfs/dbraw/zinc/05/45/43/915054543.db2.gz 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/nfs/dbraw/zinc/72/56/24/917725624.db2.gz ADKQXAUVMMTVMN-OAHLLOKOSA-N 1 2 274.368 1.173 20 30 CDEDLO CC#CC[NH2+][C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001182718544 918068862 /nfs/dbraw/zinc/06/88/62/918068862.db2.gz GKWZXCJDTFDVSW-BDAKNGLRSA-N 1 2 266.238 1.101 20 30 CDEDLO CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001182718544 918068875 /nfs/dbraw/zinc/06/88/75/918068875.db2.gz GKWZXCJDTFDVSW-BDAKNGLRSA-N 1 2 266.238 1.101 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC001238410001 918079714 /nfs/dbraw/zinc/07/97/14/918079714.db2.gz UMNJFGHAVPOOMQ-UHFFFAOYSA-N 1 2 269.348 1.318 20 30 CDEDLO C#CCN1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC001238410001 918079732 /nfs/dbraw/zinc/07/97/32/918079732.db2.gz UMNJFGHAVPOOMQ-UHFFFAOYSA-N 1 2 269.348 1.318 20 30 CDEDLO C[C@H](C(=O)N1CCc2[nH+]ccn2CC1)c1ccc(C#N)cc1 ZINC001182794154 918131203 /nfs/dbraw/zinc/13/12/03/918131203.db2.gz QWXMJYXQRDHRRM-ZDUSSCGKSA-N 1 2 294.358 1.943 20 30 CDEDLO CC(C)C[C@@H](C(=O)N1CC[C@@H](NCC#N)C1)n1cc[nH+]c1 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C=CCC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001185951500 919813390 /nfs/dbraw/zinc/81/33/90/919813390.db2.gz PAMDQYLRQVSKQK-LLVKDONJSA-N 1 2 294.424 1.831 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[NH2+]Cc1nncs1 ZINC001128085591 919843914 /nfs/dbraw/zinc/84/39/14/919843914.db2.gz WMWOLLSTGWEGNF-UHFFFAOYSA-N 1 2 280.397 1.512 20 30 CDEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1nc(C)c[nH]1)CC2 ZINC001272908650 920021513 /nfs/dbraw/zinc/02/15/13/920021513.db2.gz ZGWBPACSSGQXRS-CYBMUJFWSA-N 1 2 288.395 1.622 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(C)cnc2Cl)CC1 ZINC001139595147 936630200 /nfs/dbraw/zinc/63/02/00/936630200.db2.gz IZPDHLBKXIBDTP-UHFFFAOYSA-N 1 2 263.772 1.794 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(c2cccc(C)c2)CC1 ZINC001032802095 920261114 /nfs/dbraw/zinc/26/11/14/920261114.db2.gz SEHWHOPQQVMKHE-IRXDYDNUSA-N 1 2 294.398 1.945 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(c2cccc(C)c2)CC1 ZINC001032802095 920261125 /nfs/dbraw/zinc/26/11/25/920261125.db2.gz 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CC#CC[N@@H+]1C[C@@H](CNC(=O)C(F)C(F)(F)F)[C@H](C)C1 ZINC001101988122 937034601 /nfs/dbraw/zinc/03/46/01/937034601.db2.gz SMOPOJZVOJDNNF-MXWKQRLJSA-N 1 2 294.292 1.594 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)[C@H](C)C1 ZINC001101988122 937034603 /nfs/dbraw/zinc/03/46/03/937034603.db2.gz SMOPOJZVOJDNNF-MXWKQRLJSA-N 1 2 294.292 1.594 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)[C@H](C)C1 ZINC001101988122 937034605 /nfs/dbraw/zinc/03/46/05/937034605.db2.gz SMOPOJZVOJDNNF-MXWKQRLJSA-N 1 2 294.292 1.594 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1oc(C)cc1C ZINC001085526264 926115787 /nfs/dbraw/zinc/11/57/87/926115787.db2.gz XQOSCNIUMRSJIA-CYBMUJFWSA-N 1 2 260.337 1.676 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1oc(C)cc1C ZINC001085526264 926115792 /nfs/dbraw/zinc/11/57/92/926115792.db2.gz XQOSCNIUMRSJIA-CYBMUJFWSA-N 1 2 260.337 1.676 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(F)cncc1F ZINC001085617920 926218524 /nfs/dbraw/zinc/21/85/24/926218524.db2.gz 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/nfs/dbraw/zinc/32/04/76/926320476.db2.gz CVAQKQPTQYZBCF-HNNXBMFYSA-N 1 2 296.374 1.504 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CC3(CC3)C2)C1 ZINC001108206565 926322334 /nfs/dbraw/zinc/32/23/34/926322334.db2.gz HDOFCOTYOQKMGQ-INIZCTEOSA-N 1 2 290.407 1.407 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CC3(CC3)C2)C1 ZINC001108206565 926322349 /nfs/dbraw/zinc/32/23/49/926322349.db2.gz HDOFCOTYOQKMGQ-INIZCTEOSA-N 1 2 290.407 1.407 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1conc1C1CC1 ZINC001085812795 926419820 /nfs/dbraw/zinc/41/98/20/926419820.db2.gz LXFYQAUKQPHLDN-ZDUSSCGKSA-N 1 2 287.363 1.722 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1conc1C1CC1 ZINC001085812795 926419823 /nfs/dbraw/zinc/41/98/23/926419823.db2.gz LXFYQAUKQPHLDN-ZDUSSCGKSA-N 1 2 287.363 1.722 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2cnccc2n1 ZINC001085843241 926443255 /nfs/dbraw/zinc/44/32/55/926443255.db2.gz HBHJILSYRMKXOR-CQSZACIVSA-N 1 2 294.358 1.409 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2cnccc2n1 ZINC001085843241 926443261 /nfs/dbraw/zinc/44/32/61/926443261.db2.gz HBHJILSYRMKXOR-CQSZACIVSA-N 1 2 294.358 1.409 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001085848243 926446280 /nfs/dbraw/zinc/44/62/80/926446280.db2.gz UPVAFLWPDDSMCB-LBPRGKRZSA-N 1 2 298.346 1.048 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001085848243 926446285 /nfs/dbraw/zinc/44/62/85/926446285.db2.gz UPVAFLWPDDSMCB-LBPRGKRZSA-N 1 2 298.346 1.048 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(OC)o1 ZINC001085892036 926487307 /nfs/dbraw/zinc/48/73/07/926487307.db2.gz ORTFHGSJTQITNN-GFCCVEGCSA-N 1 2 276.336 1.458 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(OC)o1 ZINC001085892036 926487326 /nfs/dbraw/zinc/48/73/26/926487326.db2.gz ORTFHGSJTQITNN-GFCCVEGCSA-N 1 2 276.336 1.458 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1coc(CCC)n1 ZINC001085923793 926510269 /nfs/dbraw/zinc/51/02/69/926510269.db2.gz 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926590767 /nfs/dbraw/zinc/59/07/67/926590767.db2.gz XRAHEVCOMPTEFC-LLVKDONJSA-N 1 2 295.408 1.622 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(COC)s1 ZINC001086002986 926590775 /nfs/dbraw/zinc/59/07/75/926590775.db2.gz XRAHEVCOMPTEFC-LLVKDONJSA-N 1 2 295.408 1.622 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)n(C(C)C)n1 ZINC001086005528 926592420 /nfs/dbraw/zinc/59/24/20/926592420.db2.gz IDHFYNAOLDVAFB-CQSZACIVSA-N 1 2 288.395 1.552 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)n(C(C)C)n1 ZINC001086005528 926592427 /nfs/dbraw/zinc/59/24/27/926592427.db2.gz IDHFYNAOLDVAFB-CQSZACIVSA-N 1 2 288.395 1.552 20 30 CDEDLO CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1ccc(C#N)cn1 ZINC001103161598 937125256 /nfs/dbraw/zinc/12/52/56/937125256.db2.gz GDLOPLYXMCKEOM-GFCCVEGCSA-N 1 2 298.350 1.226 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCCOC2)C1 ZINC001108402819 927509071 /nfs/dbraw/zinc/50/90/71/927509071.db2.gz NOOYMCFIMMZQRQ-HOCLYGCPSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCCOC2)C1 ZINC001108402819 927509085 /nfs/dbraw/zinc/50/90/85/927509085.db2.gz NOOYMCFIMMZQRQ-HOCLYGCPSA-N 1 2 296.411 1.196 20 30 CDEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCF)CCC1 ZINC001110652529 927826672 /nfs/dbraw/zinc/82/66/72/927826672.db2.gz ITGBXILCDZXKIN-MCIONIFRSA-N 1 2 278.371 1.871 20 30 CDEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCF)CCC1 ZINC001110652529 927826682 /nfs/dbraw/zinc/82/66/82/927826682.db2.gz ITGBXILCDZXKIN-MCIONIFRSA-N 1 2 278.371 1.871 20 30 CDEDLO NC(=[NH+]OCCO)c1ccc(OCc2ccccc2)cc1 ZINC000111997735 928168526 /nfs/dbraw/zinc/16/85/26/928168526.db2.gz KMDSZDXIVCCTFQ-UHFFFAOYSA-N 1 2 286.331 1.895 20 30 CDEDLO C=CCOC[C@H](O)C[NH2+][C@@H](C(=O)OC)C1CCCCC1 ZINC001252451226 928350182 /nfs/dbraw/zinc/35/01/82/928350182.db2.gz OREDLWIQEMVKME-ZIAGYGMSSA-N 1 2 285.384 1.261 20 30 CDEDLO C=C[C@@H](CO)Nc1ccc(C)cc1C[NH+]1CCOCC1 ZINC001169784143 928436612 /nfs/dbraw/zinc/43/66/12/928436612.db2.gz ABEHLTAXYQPGLD-HNNXBMFYSA-N 1 2 276.380 1.786 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1-c1ccccc1OCC#N ZINC001212596275 928488317 /nfs/dbraw/zinc/48/83/17/928488317.db2.gz LMGKSYJQHIIAEX-UHFFFAOYSA-N 1 2 286.291 1.534 20 30 CDEDLO Cc1c(C[N@@H+](C)Cc2cc(C#N)ccn2)cnn1C ZINC001169953896 928545670 /nfs/dbraw/zinc/54/56/70/928545670.db2.gz YEPRTEDNHJNQSY-UHFFFAOYSA-N 1 2 255.325 1.627 20 30 CDEDLO Cc1c(C[N@H+](C)Cc2cc(C#N)ccn2)cnn1C ZINC001169953896 928545666 /nfs/dbraw/zinc/54/56/66/928545666.db2.gz YEPRTEDNHJNQSY-UHFFFAOYSA-N 1 2 255.325 1.627 20 30 CDEDLO CN1CC[C@H](Nc2[nH+]ccc3ccc(C#N)cc32)C1=O ZINC001156502513 928698518 /nfs/dbraw/zinc/69/85/18/928698518.db2.gz IQJQFRBXYWSUNU-ZDUSSCGKSA-N 1 2 266.304 1.749 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N[C@@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001108995865 928759140 /nfs/dbraw/zinc/75/91/40/928759140.db2.gz LDROUCJPQNWOLS-RYUDHWBXSA-N 1 2 292.383 1.317 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](C)SC)CC1 ZINC001112627405 929270573 /nfs/dbraw/zinc/27/05/73/929270573.db2.gz HUXLFUSWHZPKKK-LBPRGKRZSA-N 1 2 272.414 1.085 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCOc2cccc(F)c2)CC1 ZINC001112927017 929578201 /nfs/dbraw/zinc/57/82/01/929578201.db2.gz UWXOLRZZJIEVSD-UHFFFAOYSA-N 1 2 292.354 1.925 20 30 CDEDLO O=S(=O)(CCn1cc[nH+]c1)OCC(F)(F)C(F)F ZINC000881735014 929893197 /nfs/dbraw/zinc/89/31/97/929893197.db2.gz WSNQNEBMMSMNME-UHFFFAOYSA-N 1 2 290.238 1.130 20 30 CDEDLO C#CCN(CC1CC1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC001116367523 937444317 /nfs/dbraw/zinc/44/43/17/937444317.db2.gz HURYZFCTSWZBED-UHFFFAOYSA-N 1 2 293.411 1.152 20 30 CDEDLO C#CCN(CC1CC1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC001116367523 937444321 /nfs/dbraw/zinc/44/43/21/937444321.db2.gz HURYZFCTSWZBED-UHFFFAOYSA-N 1 2 293.411 1.152 20 30 CDEDLO C#CCNC(=S)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001116388280 937445591 /nfs/dbraw/zinc/44/55/91/937445591.db2.gz FGVLVTPELPRFSG-GFCCVEGCSA-N 1 2 276.409 1.182 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)Nc3cnn(CC#N)c3)ccn12 ZINC001136435419 931029920 /nfs/dbraw/zinc/02/99/20/931029920.db2.gz KGYQSCCAISBPSO-UHFFFAOYSA-N 1 2 280.291 1.615 20 30 CDEDLO N#Cc1coc(C(=O)N2CC3(C2)C[NH+](Cc2ccc[nH]2)C3)c1 ZINC001274349067 931492502 /nfs/dbraw/zinc/49/25/02/931492502.db2.gz BFPBMMLNZRRMEG-UHFFFAOYSA-N 1 2 296.330 1.437 20 30 CDEDLO C[N@@H+]1CCc2nc(C(=O)NCCCS)sc2C1 ZINC001154224113 937519817 /nfs/dbraw/zinc/51/98/17/937519817.db2.gz PBGBBNHRONUQFN-UHFFFAOYSA-N 1 2 271.411 1.181 20 30 CDEDLO C[N@H+]1CCc2nc(C(=O)NCCCS)sc2C1 ZINC001154224113 937519818 /nfs/dbraw/zinc/51/98/18/937519818.db2.gz PBGBBNHRONUQFN-UHFFFAOYSA-N 1 2 271.411 1.181 20 30 CDEDLO C#CCN(CC1CC1)C(=O)NCCCn1cc[nH+]c1 ZINC001117652186 937540059 /nfs/dbraw/zinc/54/00/59/937540059.db2.gz IYEVHHPAHJMPOJ-UHFFFAOYSA-N 1 2 260.341 1.328 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cccnc1 ZINC001275757756 932003717 /nfs/dbraw/zinc/00/37/17/932003717.db2.gz IIRCELDFAPKTCI-LLVKDONJSA-N 1 2 267.760 1.884 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cccnc1 ZINC001275757756 932003720 /nfs/dbraw/zinc/00/37/20/932003720.db2.gz IIRCELDFAPKTCI-LLVKDONJSA-N 1 2 267.760 1.884 20 30 CDEDLO C[C@H](Cc1cccc(C#N)c1)[NH+]1CC(N(C)[C@H]2CCOC2)C1 ZINC001171224839 932027633 /nfs/dbraw/zinc/02/76/33/932027633.db2.gz VJARWEYRCLEWBU-PBHICJAKSA-N 1 2 299.418 1.894 20 30 CDEDLO C=C(CC)CNC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001118036201 937584120 /nfs/dbraw/zinc/58/41/20/937584120.db2.gz SYNFAKMBPGQIQC-LBPRGKRZSA-N 1 2 290.367 1.198 20 30 CDEDLO C=CC[C@@H]([NH2+]C1CC(CC(=O)OC)C1)C(=O)OCC ZINC001118098782 937591124 /nfs/dbraw/zinc/59/11/24/937591124.db2.gz AJKAGZHCGIZWBY-HTAVTVPLSA-N 1 2 269.341 1.426 20 30 CDEDLO Cc1nc(N(C)CCCNC(=O)[C@H](C)C#N)c(C)c(C)[nH+]1 ZINC001095507338 932663345 /nfs/dbraw/zinc/66/33/45/932663345.db2.gz OZNFZEUVOVWCFB-SNVBAGLBSA-N 1 2 289.383 1.504 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCCCN(C)c1cc[nH+]c(C)n1 ZINC001095527992 932693042 /nfs/dbraw/zinc/69/30/42/932693042.db2.gz XLOCCUWXGGNMFW-OAHLLOKOSA-N 1 2 292.383 1.055 20 30 CDEDLO C=CCCC[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001148350477 932695468 /nfs/dbraw/zinc/69/54/68/932695468.db2.gz ABYVEFXJXRFAQO-UHFFFAOYSA-N 1 2 288.395 1.453 20 30 CDEDLO C=CC(C)(C)C(=O)NCCCN(C)c1cc[nH+]c(C)n1 ZINC001095703135 932757269 /nfs/dbraw/zinc/75/72/69/932757269.db2.gz GFZYRASWOTZXBJ-UHFFFAOYSA-N 1 2 276.384 1.940 20 30 CDEDLO COc1cccc2c(N[C@@H]3C(=O)N(O)C[C@@H]3C)cc[nH+]c12 ZINC001171368185 932884478 /nfs/dbraw/zinc/88/44/78/932884478.db2.gz ATRKYODSQYXCOE-ZANVPECISA-N 1 2 287.319 1.891 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nnc(C)o3)C[C@H]21 ZINC001114752784 934954516 /nfs/dbraw/zinc/95/45/16/934954516.db2.gz KZESRDZJJNRUFB-JYAVWHMHSA-N 1 2 290.367 1.281 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nnc(C)o3)C[C@H]21 ZINC001114752784 934954519 /nfs/dbraw/zinc/95/45/19/934954519.db2.gz KZESRDZJJNRUFB-JYAVWHMHSA-N 1 2 290.367 1.281 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2sc(CC)nc2C)C1 ZINC001015836344 935587878 /nfs/dbraw/zinc/58/78/78/935587878.db2.gz MTPHOEJGSYRCTN-LLVKDONJSA-N 1 2 277.393 1.451 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2sc(CC)nc2C)C1 ZINC001015836344 935587881 /nfs/dbraw/zinc/58/78/81/935587881.db2.gz MTPHOEJGSYRCTN-LLVKDONJSA-N 1 2 277.393 1.451 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccn(C(C)C)n2)C1 ZINC001043408238 935838798 /nfs/dbraw/zinc/83/87/98/935838798.db2.gz MZUKIHZKVDKTGL-UHFFFAOYSA-N 1 2 276.384 1.335 20 30 CDEDLO CC(C)[C@H](O)C[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001253770071 936051880 /nfs/dbraw/zinc/05/18/80/936051880.db2.gz ZMSAEDALNZKQCT-CQSZACIVSA-N 1 2 260.337 1.638 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1OC)C2 ZINC001096395512 936065005 /nfs/dbraw/zinc/06/50/05/936065005.db2.gz SEXLCGLSVHZQIC-WOPDTQHZSA-N 1 2 290.388 1.725 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1OC)C2 ZINC001096395512 936065009 /nfs/dbraw/zinc/06/50/09/936065009.db2.gz SEXLCGLSVHZQIC-WOPDTQHZSA-N 1 2 290.388 1.725 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[nH]c1)C2 ZINC001096839229 936226934 /nfs/dbraw/zinc/22/69/34/936226934.db2.gz YGHHTYFMIGDNRT-UTUOFQBUSA-N 1 2 280.759 1.497 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[nH]c1)C2 ZINC001096839229 936226939 /nfs/dbraw/zinc/22/69/39/936226939.db2.gz YGHHTYFMIGDNRT-UTUOFQBUSA-N 1 2 280.759 1.497 20 30 CDEDLO C#CCCCCC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001096934213 936240511 /nfs/dbraw/zinc/24/05/11/936240511.db2.gz CWQDSZXPBXHBTP-AWEZNQCLSA-N 1 2 286.379 1.991 20 30 CDEDLO Cc1ccc2ccnc(N3CC[NH2+]C[C@@H]3C#N)c2c1 ZINC001156319908 938351427 /nfs/dbraw/zinc/35/14/27/938351427.db2.gz IXAJIJNXHWUZPG-ZDUSSCGKSA-N 1 2 252.321 1.845 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1ccc(-c2ccncc2)cn1 ZINC001156327813 938353030 /nfs/dbraw/zinc/35/30/30/938353030.db2.gz NFTTUXOECHWXCZ-AWEZNQCLSA-N 1 2 265.320 1.445 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)c1[nH]nc2cc(C#N)ccc21 ZINC001156893037 938430149 /nfs/dbraw/zinc/43/01/49/938430149.db2.gz IOFNUFBSCPRQJA-UHFFFAOYSA-N 1 2 294.318 1.141 20 30 CDEDLO N#Cc1ccc(NC(=O)c2ccc3[nH]c(N)[nH+]c3c2)c(O)c1 ZINC001156971684 938440578 /nfs/dbraw/zinc/44/05/78/938440578.db2.gz OHDFZANTPREZKW-UHFFFAOYSA-N 1 2 293.286 1.975 20 30 CDEDLO N#Cc1ccc(NC(=O)c2ccc3[nH+]c(N)[nH]c3c2)c(O)c1 ZINC001156971684 938440580 /nfs/dbraw/zinc/44/05/80/938440580.db2.gz OHDFZANTPREZKW-UHFFFAOYSA-N 1 2 293.286 1.975 20 30 CDEDLO C#CCCCC(=O)NCCC[NH2+][C@H](C)c1noc(C)n1 ZINC001157170341 938461805 /nfs/dbraw/zinc/46/18/05/938461805.db2.gz HBWJIOXOHOTDAO-LLVKDONJSA-N 1 2 278.356 1.338 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1nc(C#N)ccc1[N+](=O)[O-] ZINC001157462478 938496668 /nfs/dbraw/zinc/49/66/68/938496668.db2.gz KDEUPJOMHTYUEL-UHFFFAOYSA-N 1 2 286.295 1.584 20 30 CDEDLO CN(C)C(=O)N[C@@H]1CCCN(c2cc(CC#N)cc[nH+]2)C1 ZINC001158001906 938574221 /nfs/dbraw/zinc/57/42/21/938574221.db2.gz NHTIKVMKRLONQJ-CYBMUJFWSA-N 1 2 287.367 1.388 20 30 CDEDLO COc1cnc(NC(=[NH2+])c2ccc(C(N)=O)cc2)c(C)c1 ZINC001160079320 938767662 /nfs/dbraw/zinc/76/76/62/938767662.db2.gz IOZPDCQTTSLPPV-UHFFFAOYSA-N 1 2 284.319 1.535 20 30 CDEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ncccn1)C2 ZINC001207014310 940129047 /nfs/dbraw/zinc/12/90/47/940129047.db2.gz ZLKCWNMTLPNPAX-GDBMZVCRSA-N 1 2 289.379 1.803 20 30 CDEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ncccn1)C2 ZINC001207014310 940129048 /nfs/dbraw/zinc/12/90/48/940129048.db2.gz ZLKCWNMTLPNPAX-GDBMZVCRSA-N 1 2 289.379 1.803 20 30 CDEDLO C#Cc1cc(Nc2ccc(-n3ccnn3)cc2)cc[nH+]1 ZINC001210294202 940680465 /nfs/dbraw/zinc/68/04/65/940680465.db2.gz UBCHAQVKJXPYOJ-UHFFFAOYSA-N 1 2 261.288 1.809 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC[C@@H](C)CC)[C@H]2C1 ZINC001218832425 941277834 /nfs/dbraw/zinc/27/78/34/941277834.db2.gz PLVHITCEGBGWCL-SOUVJXGZSA-N 1 2 278.396 1.358 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[C@@H](C)CC)[C@H]2C1 ZINC001218832425 941277835 /nfs/dbraw/zinc/27/78/35/941277835.db2.gz PLVHITCEGBGWCL-SOUVJXGZSA-N 1 2 278.396 1.358 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001220203505 941424134 /nfs/dbraw/zinc/42/41/34/941424134.db2.gz IHUBJVNMDSIDPB-MTTQNTSXSA-N 1 2 286.803 1.503 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001220203505 941424136 /nfs/dbraw/zinc/42/41/36/941424136.db2.gz IHUBJVNMDSIDPB-MTTQNTSXSA-N 1 2 286.803 1.503 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@@H]1O ZINC001220241891 941426829 /nfs/dbraw/zinc/42/68/29/941426829.db2.gz BFZYDVBPLZQVGQ-KGLIPLIRSA-N 1 2 293.367 1.001 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@@H]1O ZINC001220241891 941426830 /nfs/dbraw/zinc/42/68/30/941426830.db2.gz BFZYDVBPLZQVGQ-KGLIPLIRSA-N 1 2 293.367 1.001 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001220247911 941427925 /nfs/dbraw/zinc/42/79/25/941427925.db2.gz YWRPEKWAJLAQQY-BAEOLTKYSA-N 1 2 272.776 1.257 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001220247911 941427928 /nfs/dbraw/zinc/42/79/28/941427928.db2.gz YWRPEKWAJLAQQY-BAEOLTKYSA-N 1 2 272.776 1.257 20 30 CDEDLO C=CCOCC(=O)N1C[C@H]2CC[N@@H+](CC(=C)Cl)C[C@H]21 ZINC001221442911 941535075 /nfs/dbraw/zinc/53/50/75/941535075.db2.gz BGVCLHNDUKLSGZ-CHWSQXEVSA-N 1 2 284.787 1.474 20 30 CDEDLO C=CCOCC(=O)N1C[C@H]2CC[N@H+](CC(=C)Cl)C[C@H]21 ZINC001221442911 941535076 /nfs/dbraw/zinc/53/50/76/941535076.db2.gz BGVCLHNDUKLSGZ-CHWSQXEVSA-N 1 2 284.787 1.474 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[N@H+](CC(=C)Cl)C[C@H]21 ZINC001221516215 941540568 /nfs/dbraw/zinc/54/05/68/941540568.db2.gz HECWMFGKZSSAQH-NFAWXSAZSA-N 1 2 298.814 1.599 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[N@@H+](CC(=C)Cl)C[C@H]21 ZINC001221516215 941540569 /nfs/dbraw/zinc/54/05/69/941540569.db2.gz HECWMFGKZSSAQH-NFAWXSAZSA-N 1 2 298.814 1.599 20 30 CDEDLO CCc1cnc(C[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)o1 ZINC001226617282 942035749 /nfs/dbraw/zinc/03/57/49/942035749.db2.gz DGGUSRVWOUESJD-NSHDSACASA-N 1 2 290.367 1.477 20 30 CDEDLO C=CCCCCC[N@H+]1Cc2ccnn2CC[C@H]1C(N)=O ZINC001277151069 942059032 /nfs/dbraw/zinc/05/90/32/942059032.db2.gz HTRWTAVAZDAZRA-AWEZNQCLSA-N 1 2 276.384 1.689 20 30 CDEDLO C=CCCCCC[N@@H+]1Cc2ccnn2CC[C@H]1C(N)=O ZINC001277151069 942059038 /nfs/dbraw/zinc/05/90/38/942059038.db2.gz HTRWTAVAZDAZRA-AWEZNQCLSA-N 1 2 276.384 1.689 20 30 CDEDLO CC(C)C#CC(=O)NC1CC[NH+](Cc2nccs2)CC1 ZINC001227233694 942154612 /nfs/dbraw/zinc/15/46/12/942154612.db2.gz ZQWMMUNXKJJHJR-UHFFFAOYSA-N 1 2 291.420 1.883 20 30 CDEDLO COc1cnnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1Cl ZINC001227257736 942159779 /nfs/dbraw/zinc/15/97/79/942159779.db2.gz JTYTUZWLWOODDA-NTBMCGCHSA-N 1 2 297.742 1.130 20 30 CDEDLO COc1cnnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1Cl ZINC001227257736 942159781 /nfs/dbraw/zinc/15/97/81/942159781.db2.gz JTYTUZWLWOODDA-NTBMCGCHSA-N 1 2 297.742 1.130 20 30 CDEDLO Cc1ccc2ncnc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@H+]4C)c2c1 ZINC001229054073 942413061 /nfs/dbraw/zinc/41/30/61/942413061.db2.gz QTOCGPTXVJDOAH-BDOHNGBXSA-N 1 2 297.358 1.929 20 30 CDEDLO Cc1ccc2ncnc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@@H+]4C)c2c1 ZINC001229054073 942413063 /nfs/dbraw/zinc/41/30/63/942413063.db2.gz QTOCGPTXVJDOAH-BDOHNGBXSA-N 1 2 297.358 1.929 20 30 CDEDLO CCc1nocc1C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231248099 942835022 /nfs/dbraw/zinc/83/50/22/942835022.db2.gz UOIZYIHWRSZSBI-AAEUAGOBSA-N 1 2 290.367 1.429 20 30 CDEDLO CCc1nocc1C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231248099 942835029 /nfs/dbraw/zinc/83/50/29/942835029.db2.gz UOIZYIHWRSZSBI-AAEUAGOBSA-N 1 2 290.367 1.429 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+](C)Cc1cncnc1 ZINC001231621909 942947096 /nfs/dbraw/zinc/94/70/96/942947096.db2.gz MJHIWBLSFYXWDN-UHFFFAOYSA-N 1 2 268.320 1.989 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+](C)Cc1cncnc1 ZINC001231621909 942947102 /nfs/dbraw/zinc/94/71/02/942947102.db2.gz MJHIWBLSFYXWDN-UHFFFAOYSA-N 1 2 268.320 1.989 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c(Cl)nccc2OC)CC1 ZINC001232154407 943152985 /nfs/dbraw/zinc/15/29/85/943152985.db2.gz OXTATLDAJOQLJM-UHFFFAOYSA-N 1 2 279.771 1.494 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c(Cl)ccnc2F)CC1 ZINC001232620976 943340583 /nfs/dbraw/zinc/34/05/83/943340583.db2.gz YYUPTMSYEPUWGP-UHFFFAOYSA-N 1 2 267.735 1.625 20 30 CDEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@]2(CCN2c2ncccn2)C1 ZINC001233045588 943473392 /nfs/dbraw/zinc/47/33/92/943473392.db2.gz XUVGVYZPSCUULI-INIZCTEOSA-N 1 2 294.362 1.531 20 30 CDEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@]2(CCN2c2ncccn2)C1 ZINC001233045588 943473396 /nfs/dbraw/zinc/47/33/96/943473396.db2.gz XUVGVYZPSCUULI-INIZCTEOSA-N 1 2 294.362 1.531 20 30 CDEDLO CCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC001233080024 943487117 /nfs/dbraw/zinc/48/71/17/943487117.db2.gz BNEYGYRTCLGVIX-UHFFFAOYSA-N 1 2 271.364 1.921 20 30 CDEDLO COCc1noc2c1C[N@H+](Cc1ccc(C#N)cc1O)CC2 ZINC001233384785 943571280 /nfs/dbraw/zinc/57/12/80/943571280.db2.gz ILSBJZUXVWZXTJ-UHFFFAOYSA-N 1 2 299.330 1.957 20 30 CDEDLO COCc1noc2c1C[N@@H+](Cc1ccc(C#N)cc1O)CC2 ZINC001233384785 943571285 /nfs/dbraw/zinc/57/12/85/943571285.db2.gz ILSBJZUXVWZXTJ-UHFFFAOYSA-N 1 2 299.330 1.957 20 30 CDEDLO CN1CCC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3O)C[C@H]21 ZINC001233387520 943573024 /nfs/dbraw/zinc/57/30/24/943573024.db2.gz MKDCIDXKUZNVOY-UKRRQHHQSA-N 1 2 271.364 1.790 20 30 CDEDLO CN1CCC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3O)C[C@H]21 ZINC001233387520 943573030 /nfs/dbraw/zinc/57/30/30/943573030.db2.gz MKDCIDXKUZNVOY-UKRRQHHQSA-N 1 2 271.364 1.790 20 30 CDEDLO N#Cc1cc(Cl)nc(NCC2([NH+]3CCOCC3)CC2)c1 ZINC001262694552 943672616 /nfs/dbraw/zinc/67/26/16/943672616.db2.gz XTFHCESDNYDBPV-UHFFFAOYSA-N 1 2 292.770 1.883 20 30 CDEDLO C=C(C)[C@H](CC(=O)N(C)C[C@@H]1CC[N@H+]1CCF)OCC ZINC001234644588 943924899 /nfs/dbraw/zinc/92/48/99/943924899.db2.gz VLELPKVOROQPED-KBPBESRZSA-N 1 2 286.391 1.860 20 30 CDEDLO C=C(C)[C@H](CC(=O)N(C)C[C@@H]1CC[N@@H+]1CCF)OCC ZINC001234644588 943924895 /nfs/dbraw/zinc/92/48/95/943924895.db2.gz VLELPKVOROQPED-KBPBESRZSA-N 1 2 286.391 1.860 20 30 CDEDLO Cc1[nH+]cc(NS(=O)(=O)c2ccc(F)c(C#N)c2)n1C ZINC001259413398 945570967 /nfs/dbraw/zinc/57/09/67/945570967.db2.gz GYZVZOVJEZROPO-UHFFFAOYSA-N 1 2 294.311 1.540 20 30 CDEDLO Cc1cc(N(C)C)[nH+]cc1-c1cnc(C#N)c(C#N)n1 ZINC001241239707 946200036 /nfs/dbraw/zinc/20/00/36/946200036.db2.gz AKKMJKKVOAZOQN-UHFFFAOYSA-N 1 2 264.292 1.656 20 30 CDEDLO C[C@H]1C[C@H](C(=O)NC2(C#N)CC[NH+](C)CC2)CCC1=O ZINC001254145254 947302807 /nfs/dbraw/zinc/30/28/07/947302807.db2.gz RBBITEJLNZDARS-NWDGAFQWSA-N 1 2 277.368 1.096 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH2+][C@H]1CCCOC1)[C@@H](C)CC ZINC001254364367 947387948 /nfs/dbraw/zinc/38/79/48/947387948.db2.gz SLYZFLBSUFNDGM-AVGNSLFASA-N 1 2 255.358 1.899 20 30 CDEDLO CCS(=O)(=O)c1cnc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)nc1 ZINC001254645261 947567761 /nfs/dbraw/zinc/56/77/61/947567761.db2.gz BEKRUTOSXQEDKW-GHMZBOCLSA-N 1 2 294.380 1.052 20 30 CDEDLO CCOC(=O)N1CC[C@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001256033704 948170556 /nfs/dbraw/zinc/17/05/56/948170556.db2.gz SSCXTKQHZRIDAT-RYUDHWBXSA-N 1 2 296.392 1.491 20 30 CDEDLO CCOC(=O)N1CC[C@H]([N@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001256033704 948170558 /nfs/dbraw/zinc/17/05/58/948170558.db2.gz SSCXTKQHZRIDAT-RYUDHWBXSA-N 1 2 296.392 1.491 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1C1CCC(C#N)CC1 ZINC001256963783 948464939 /nfs/dbraw/zinc/46/49/39/948464939.db2.gz MBOTVTAAXMSTOP-RSJDFQLWSA-N 1 2 254.305 1.654 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](F)C[N@H+]1C1CCC(C#N)CC1 ZINC001256963783 948464942 /nfs/dbraw/zinc/46/49/42/948464942.db2.gz MBOTVTAAXMSTOP-RSJDFQLWSA-N 1 2 254.305 1.654 20 30 CDEDLO CCc1ccc(C[C@@H](C)[N@@H+]2CCN[C@H](C#N)C2)cc1 ZINC001246837585 948470077 /nfs/dbraw/zinc/47/00/77/948470077.db2.gz QWQGNVBZFPXWIM-CZUORRHYSA-N 1 2 257.381 1.977 20 30 CDEDLO CCc1ccc(C[C@@H](C)[N@H+]2CCN[C@H](C#N)C2)cc1 ZINC001246837585 948470079 /nfs/dbraw/zinc/47/00/79/948470079.db2.gz QWQGNVBZFPXWIM-CZUORRHYSA-N 1 2 257.381 1.977 20 30 CDEDLO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001257057642 948505566 /nfs/dbraw/zinc/50/55/66/948505566.db2.gz XRYSLABMJGTDDV-RAIGVLPGSA-N 1 2 295.404 1.992 20 30 CDEDLO CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001257057642 948505567 /nfs/dbraw/zinc/50/55/67/948505567.db2.gz XRYSLABMJGTDDV-RAIGVLPGSA-N 1 2 295.404 1.992 20 30 CDEDLO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001257057642 948505572 /nfs/dbraw/zinc/50/55/72/948505572.db2.gz XRYSLABMJGTDDV-RAIGVLPGSA-N 1 2 295.404 1.992 20 30 CDEDLO CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001257057642 948505576 /nfs/dbraw/zinc/50/55/76/948505576.db2.gz XRYSLABMJGTDDV-RAIGVLPGSA-N 1 2 295.404 1.992 20 30 CDEDLO Cn1c[nH+]c(Cc2nc(-c3ccc(C#N)cn3)no2)c1 ZINC001247243800 948607465 /nfs/dbraw/zinc/60/74/65/948607465.db2.gz MGBNKARSCQUPEG-UHFFFAOYSA-N 1 2 266.264 1.328 20 30 CDEDLO CCOC(=O)CC[C@H](C)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001258492485 948890997 /nfs/dbraw/zinc/89/09/97/948890997.db2.gz TYHZKKQFEDSZOD-CMPLNLGQSA-N 1 2 283.393 1.992 20 30 CDEDLO CCOC(=O)CC[C@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258492485 948891019 /nfs/dbraw/zinc/89/10/19/948891019.db2.gz TYHZKKQFEDSZOD-CMPLNLGQSA-N 1 2 283.393 1.992 20 30 CDEDLO CCOC(=O)CC[C@H](C)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258492485 948891034 /nfs/dbraw/zinc/89/10/34/948891034.db2.gz TYHZKKQFEDSZOD-CMPLNLGQSA-N 1 2 283.393 1.992 20 30 CDEDLO CCOC(=O)CC[C@H](C)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258492485 948891051 /nfs/dbraw/zinc/89/10/51/948891051.db2.gz TYHZKKQFEDSZOD-CMPLNLGQSA-N 1 2 283.393 1.992 20 30 CDEDLO CCc1cc(C#N)ccc1C[NH+]1CC(OCCOC)C1 ZINC001248753212 949124457 /nfs/dbraw/zinc/12/44/57/949124457.db2.gz XFELLZXNICFGIA-UHFFFAOYSA-N 1 2 274.364 1.968 20 30 CDEDLO Cc1cnc(C[NH2+][C@H](C)CNC(=O)c2cc(C#N)c[nH]2)o1 ZINC001480440232 971729312 /nfs/dbraw/zinc/72/93/12/971729312.db2.gz AFSXKBOUPZXBAN-SECBINFHSA-N 1 2 287.323 1.091 20 30 CDEDLO COc1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](C#N)C2)c1 ZINC001253958326 952161639 /nfs/dbraw/zinc/16/16/39/952161639.db2.gz ZBPYIHOZQAYFMX-OLZOCXBDSA-N 1 2 276.336 1.280 20 30 CDEDLO COc1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](C#N)C2)c1 ZINC001253958326 952161645 /nfs/dbraw/zinc/16/16/45/952161645.db2.gz ZBPYIHOZQAYFMX-OLZOCXBDSA-N 1 2 276.336 1.280 20 30 CDEDLO C[C@H](C(=O)NCc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC001327045429 954674343 /nfs/dbraw/zinc/67/43/43/954674343.db2.gz MORBGBCQXIBUFU-SNVBAGLBSA-N 1 2 255.281 1.027 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCC(=O)NCC ZINC001422485719 956075647 /nfs/dbraw/zinc/07/56/47/956075647.db2.gz JTJDHQSSBNWNDE-NSHDSACASA-N 1 2 289.807 1.092 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCC(=O)NCC ZINC001422485719 956075656 /nfs/dbraw/zinc/07/56/56/956075656.db2.gz JTJDHQSSBNWNDE-NSHDSACASA-N 1 2 289.807 1.092 20 30 CDEDLO N#Cc1ccc(NC(=O)NCc2ccc[nH+]c2N)cc1F ZINC001365506398 956102410 /nfs/dbraw/zinc/10/24/10/956102410.db2.gz NXLUUJLUBMZZSY-UHFFFAOYSA-N 1 2 285.282 1.996 20 30 CDEDLO C=C(Cl)CN(C)CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001367537718 958118150 /nfs/dbraw/zinc/11/81/50/958118150.db2.gz UUCJNVUWZXEOPK-ZDUSSCGKSA-N 1 2 298.818 1.977 20 30 CDEDLO Cc1cc(C#N)nc(NCC[N@H+]2CCOC[C@H]2C)c1 ZINC001336697196 960474759 /nfs/dbraw/zinc/47/47/59/960474759.db2.gz FZCNQTFREJRIQS-GFCCVEGCSA-N 1 2 260.341 1.394 20 30 CDEDLO Cc1cc(C#N)nc(NCC[N@@H+]2CCOC[C@H]2C)c1 ZINC001336697196 960474771 /nfs/dbraw/zinc/47/47/71/960474771.db2.gz FZCNQTFREJRIQS-GFCCVEGCSA-N 1 2 260.341 1.394 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](OC)C2CC2)C1 ZINC001419015240 961265078 /nfs/dbraw/zinc/26/50/78/961265078.db2.gz DBFLRBJKENNHEQ-GFCCVEGCSA-N 1 2 272.776 1.212 20 30 CDEDLO C[C@@H](c1nc(-c2nc[nH]n2)no1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001434479252 961490959 /nfs/dbraw/zinc/49/09/59/961490959.db2.gz SIGMWEFMVGHGQT-UWVGGRQHSA-N 1 2 287.327 1.541 20 30 CDEDLO C[C@@H](c1nc(-c2nc[nH]n2)no1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC001434479252 961490972 /nfs/dbraw/zinc/49/09/72/961490972.db2.gz SIGMWEFMVGHGQT-UWVGGRQHSA-N 1 2 287.327 1.541 20 30 CDEDLO C=C[C@@H](COC)[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC001338311739 961741724 /nfs/dbraw/zinc/74/17/24/961741724.db2.gz LDVNQHSFOLEIFB-AAEUAGOBSA-N 1 2 299.367 1.835 20 30 CDEDLO C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001436893240 962482030 /nfs/dbraw/zinc/48/20/30/962482030.db2.gz FPUXMRMXVPBLSM-BWZBUEFSSA-N 1 2 288.672 1.876 20 30 CDEDLO C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001436893240 962482039 /nfs/dbraw/zinc/48/20/39/962482039.db2.gz FPUXMRMXVPBLSM-BWZBUEFSSA-N 1 2 288.672 1.876 20 30 CDEDLO CCN(CC[NH2+][C@H](C)c1csnn1)C(=O)[C@H](C)C#N ZINC001420232896 962606897 /nfs/dbraw/zinc/60/68/97/962606897.db2.gz FMFKKRDSIOSFNY-NXEZZACHSA-N 1 2 281.385 1.197 20 30 CDEDLO CC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1ccncc1Cl ZINC001420367922 962798165 /nfs/dbraw/zinc/79/81/65/962798165.db2.gz JZCVXNMTSYBZOT-NSHDSACASA-N 1 2 294.786 1.833 20 30 CDEDLO CC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1ccncc1Cl ZINC001420367922 962798172 /nfs/dbraw/zinc/79/81/72/962798172.db2.gz JZCVXNMTSYBZOT-NSHDSACASA-N 1 2 294.786 1.833 20 30 CDEDLO CC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1ncc(C)s1 ZINC001420366645 962800692 /nfs/dbraw/zinc/80/06/92/962800692.db2.gz DDVWLDQKXIAWPP-SNVBAGLBSA-N 1 2 280.397 1.549 20 30 CDEDLO CC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1ncc(C)s1 ZINC001420366645 962800707 /nfs/dbraw/zinc/80/07/07/962800707.db2.gz DDVWLDQKXIAWPP-SNVBAGLBSA-N 1 2 280.397 1.549 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC[N@H+](C)Cc1cccc(F)c1F ZINC001437450028 962910362 /nfs/dbraw/zinc/91/03/62/962910362.db2.gz MCZCEZCREWVKPZ-JTQLQIEISA-N 1 2 281.306 1.672 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](C)Cc1cccc(F)c1F ZINC001437450028 962910378 /nfs/dbraw/zinc/91/03/78/962910378.db2.gz MCZCEZCREWVKPZ-JTQLQIEISA-N 1 2 281.306 1.672 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](C)C(F)(F)F ZINC001437502820 962967634 /nfs/dbraw/zinc/96/76/34/962967634.db2.gz YPJWGZVNRBJEOK-QMMMGPOBSA-N 1 2 272.698 1.985 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](C)C(F)(F)F ZINC001437502820 962967647 /nfs/dbraw/zinc/96/76/47/962967647.db2.gz YPJWGZVNRBJEOK-QMMMGPOBSA-N 1 2 272.698 1.985 20 30 CDEDLO C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)OC ZINC001340626685 963038446 /nfs/dbraw/zinc/03/84/46/963038446.db2.gz BAHDTGUCPZHGPK-JTQLQIEISA-N 1 2 251.334 1.228 20 30 CDEDLO C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)OC ZINC001340626685 963038463 /nfs/dbraw/zinc/03/84/63/963038463.db2.gz BAHDTGUCPZHGPK-JTQLQIEISA-N 1 2 251.334 1.228 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCOC(C)C)C1 ZINC001438198397 963359419 /nfs/dbraw/zinc/35/94/19/963359419.db2.gz MOYXOJZAVAEPGB-GFCCVEGCSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCOC(C)C)C1 ZINC001438198397 963359427 /nfs/dbraw/zinc/35/94/27/963359427.db2.gz MOYXOJZAVAEPGB-GFCCVEGCSA-N 1 2 274.792 1.745 20 30 CDEDLO CC(C)[N@@H+]1CCC[C@H]1C(=O)[C@@H](C#N)c1ccncn1 ZINC001343241133 963935698 /nfs/dbraw/zinc/93/56/98/963935698.db2.gz MWNPLIYJQFYXIE-AAEUAGOBSA-N 1 2 258.325 1.526 20 30 CDEDLO CC(C)[N@H+]1CCC[C@H]1C(=O)[C@@H](C#N)c1ccncn1 ZINC001343241133 963935702 /nfs/dbraw/zinc/93/57/02/963935702.db2.gz MWNPLIYJQFYXIE-AAEUAGOBSA-N 1 2 258.325 1.526 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(C(N)=O)o1 ZINC001440957601 964289261 /nfs/dbraw/zinc/28/92/61/964289261.db2.gz ZBHJGXGXCJJBBS-SECBINFHSA-N 1 2 299.758 1.181 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(C(N)=O)o1 ZINC001440957601 964289265 /nfs/dbraw/zinc/28/92/65/964289265.db2.gz ZBHJGXGXCJJBBS-SECBINFHSA-N 1 2 299.758 1.181 20 30 CDEDLO C#CC1(O)CCN(C(=O)NCc2cc(C)[nH+]c(C)c2)CC1 ZINC001346482780 965137735 /nfs/dbraw/zinc/13/77/35/965137735.db2.gz IWQAYYRXXCQMQY-UHFFFAOYSA-N 1 2 287.363 1.368 20 30 CDEDLO C=C(CC(C)C)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC001347570379 965602253 /nfs/dbraw/zinc/60/22/53/965602253.db2.gz ARSPQHVVFFJRMU-GJZGRUSLSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CCN(CC=C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001349468050 966357614 /nfs/dbraw/zinc/35/76/14/966357614.db2.gz REYWDVQNPKKFSD-UONOGXRCSA-N 1 2 280.416 1.004 20 30 CDEDLO C=CCN(CC=C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001349468050 966357623 /nfs/dbraw/zinc/35/76/23/966357623.db2.gz REYWDVQNPKKFSD-UONOGXRCSA-N 1 2 280.416 1.004 20 30 CDEDLO N#CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001351113837 966860684 /nfs/dbraw/zinc/86/06/84/966860684.db2.gz UGXZIWQUYHHJSZ-AWEZNQCLSA-N 1 2 275.327 1.820 20 30 CDEDLO N#CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001351113837 966860693 /nfs/dbraw/zinc/86/06/93/966860693.db2.gz UGXZIWQUYHHJSZ-AWEZNQCLSA-N 1 2 275.327 1.820 20 30 CDEDLO C=CCNC(=S)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001200290142 967850404 /nfs/dbraw/zinc/85/04/04/967850404.db2.gz ACZYYOVWXXROOZ-NSHDSACASA-N 1 2 289.395 1.852 20 30 CDEDLO C#CCN(CC#CC)c1nnc(Cc2[nH+]ccn2C)n1CC ZINC001356296098 969369777 /nfs/dbraw/zinc/36/97/77/969369777.db2.gz FKETVTNZYFQDBL-UHFFFAOYSA-N 1 2 296.378 1.085 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cn1cccn1 ZINC001498230045 973762865 /nfs/dbraw/zinc/76/28/65/973762865.db2.gz ZBQRWYQNARHGPP-NSHDSACASA-N 1 2 270.764 1.072 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cn1cccn1 ZINC001498230045 973762869 /nfs/dbraw/zinc/76/28/69/973762869.db2.gz ZBQRWYQNARHGPP-NSHDSACASA-N 1 2 270.764 1.072 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1nnc(C)o1 ZINC001379650394 975986966 /nfs/dbraw/zinc/98/69/66/975986966.db2.gz HSMRERZOJUDRHA-SECBINFHSA-N 1 2 286.763 1.110 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1nnc(C)o1 ZINC001379650394 975986971 /nfs/dbraw/zinc/98/69/71/975986971.db2.gz HSMRERZOJUDRHA-SECBINFHSA-N 1 2 286.763 1.110 20 30 CDEDLO Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@H](C)C#N)CC2)no1 ZINC001402036732 976088768 /nfs/dbraw/zinc/08/87/68/976088768.db2.gz GRLVNJKIPPDVME-LLVKDONJSA-N 1 2 290.367 1.566 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(OCC)n[nH]1 ZINC001390777803 976499471 /nfs/dbraw/zinc/49/94/71/976499471.db2.gz KTWXSJXEDSYDHC-UHFFFAOYSA-N 1 2 286.763 1.223 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(OCC)n[nH]1 ZINC001390777803 976499482 /nfs/dbraw/zinc/49/94/82/976499482.db2.gz KTWXSJXEDSYDHC-UHFFFAOYSA-N 1 2 286.763 1.223 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnc(C)nc1C ZINC001390978564 976632425 /nfs/dbraw/zinc/63/24/25/976632425.db2.gz UFWOYVVQWOMKAV-UHFFFAOYSA-N 1 2 296.802 1.898 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnc(C)nc1C ZINC001390978564 976632431 /nfs/dbraw/zinc/63/24/31/976632431.db2.gz UFWOYVVQWOMKAV-UHFFFAOYSA-N 1 2 296.802 1.898 20 30 CDEDLO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(N)=O)C2)CCC1 ZINC001132283357 1163223558 /nfs/dbraw/zinc/22/35/58/1163223558.db2.gz WNEGEWISORZETF-OLZOCXBDSA-N 1 2 293.411 1.187 20 30 CDEDLO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(N)=O)C2)CCC1 ZINC001132283357 1163223565 /nfs/dbraw/zinc/22/35/65/1163223565.db2.gz WNEGEWISORZETF-OLZOCXBDSA-N 1 2 293.411 1.187 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+]Cc1cnsn1 ZINC001133378763 1163662208 /nfs/dbraw/zinc/66/22/08/1163662208.db2.gz MOAOJSYSAFGONC-GFCCVEGCSA-N 1 2 268.386 1.346 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+]Cc1nncs1 ZINC001133380737 1163663618 /nfs/dbraw/zinc/66/36/18/1163663618.db2.gz NQTBFCLWKKAGDE-GFCCVEGCSA-N 1 2 268.386 1.346 20 30 CDEDLO C#CCOc1cccc(NC(=O)C[C@@H]([NH3+])C(F)F)c1 ZINC001574735708 1171000449 /nfs/dbraw/zinc/00/04/49/1171000449.db2.gz MQQOZPUEQAFRMK-LLVKDONJSA-N 1 2 268.263 1.620 20 30 CDEDLO C[C@H](C#N)CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000182503746 342451259 /nfs/dbraw/zinc/45/12/59/342451259.db2.gz KNWCTXVTCWADAC-CYBMUJFWSA-N 1 2 297.362 1.890 20 30 CDEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCCn1cc[nH+]c1 ZINC000618630571 349496756 /nfs/dbraw/zinc/49/67/56/349496756.db2.gz BWAJGHLOKYQFKH-OAHLLOKOSA-N 1 2 295.346 1.741 20 30 CDEDLO CC[N@H+](CCC#N)C[C@H](O)COc1ccccc1C#N ZINC000042450517 341999283 /nfs/dbraw/zinc/99/92/83/341999283.db2.gz DJRQIKUMTINCIS-AWEZNQCLSA-N 1 2 273.336 1.534 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1ccccc1C#N ZINC000042450517 341999284 /nfs/dbraw/zinc/99/92/84/341999284.db2.gz DJRQIKUMTINCIS-AWEZNQCLSA-N 1 2 273.336 1.534 20 30 CDEDLO C=CCCCC[N@H+]1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000590714163 342585597 /nfs/dbraw/zinc/58/55/97/342585597.db2.gz JMPDCCGCEYQHHL-CHWSQXEVSA-N 1 2 283.368 1.769 20 30 CDEDLO C=CCCCC[N@@H+]1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000590714163 342585598 /nfs/dbraw/zinc/58/55/98/342585598.db2.gz JMPDCCGCEYQHHL-CHWSQXEVSA-N 1 2 283.368 1.769 20 30 CDEDLO CCN(CC#N)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000608847998 342078412 /nfs/dbraw/zinc/07/84/12/342078412.db2.gz RETPZVQDKYSRMM-UHFFFAOYSA-N 1 2 256.309 1.557 20 30 CDEDLO COCCN(CCC#N)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000609136870 342091906 /nfs/dbraw/zinc/09/19/06/342091906.db2.gz OHQKOCKRYCJCHV-UHFFFAOYSA-N 1 2 286.335 1.265 20 30 CDEDLO C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152158 342669068 /nfs/dbraw/zinc/66/90/68/342669068.db2.gz VFFHWPLQUBHFLE-BBRMVZONSA-N 1 2 297.362 1.679 20 30 CDEDLO C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152158 342669069 /nfs/dbraw/zinc/66/90/69/342669069.db2.gz VFFHWPLQUBHFLE-BBRMVZONSA-N 1 2 297.362 1.679 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)[C@H](CC)CO1 ZINC000593057153 342760431 /nfs/dbraw/zinc/76/04/31/342760431.db2.gz CLDKMAQUPOOQFW-IIAWOOMASA-N 1 2 293.411 1.684 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)[C@H](CC)CO1 ZINC000593057153 342760432 /nfs/dbraw/zinc/76/04/32/342760432.db2.gz CLDKMAQUPOOQFW-IIAWOOMASA-N 1 2 293.411 1.684 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000593998761 342862055 /nfs/dbraw/zinc/86/20/55/342862055.db2.gz YGPZZEBKDQMSTJ-CHWSQXEVSA-N 1 2 277.368 1.573 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000593998761 342862056 /nfs/dbraw/zinc/86/20/56/342862056.db2.gz YGPZZEBKDQMSTJ-CHWSQXEVSA-N 1 2 277.368 1.573 20 30 CDEDLO C=C[C@H](O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000666849471 539083613 /nfs/dbraw/zinc/08/36/13/539083613.db2.gz RSODQDFYHWSROY-AWEZNQCLSA-N 1 2 276.336 1.004 20 30 CDEDLO C=CCC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCOCC1 ZINC000618247484 342263196 /nfs/dbraw/zinc/26/31/96/342263196.db2.gz ZIJKYITVXRKVIA-CYBMUJFWSA-N 1 2 289.379 1.687 20 30 CDEDLO CCN(CC)c1ccc(CNc2ccnc(C#N)n2)c[nH+]1 ZINC000594544786 342915867 /nfs/dbraw/zinc/91/58/67/342915867.db2.gz PLUFXBJHGCRFMQ-UHFFFAOYSA-N 1 2 282.351 1.623 20 30 CDEDLO CCn1c2ccccc2[nH+]c1CCNc1ccnc(C#N)n1 ZINC000594547106 342915986 /nfs/dbraw/zinc/91/59/86/342915986.db2.gz AKJVKNKFPOVEGR-UHFFFAOYSA-N 1 2 292.346 1.794 20 30 CDEDLO N#Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609383931 342266946 /nfs/dbraw/zinc/26/69/46/342266946.db2.gz MQAANVIZJDMPQF-LBPRGKRZSA-N 1 2 298.306 1.899 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)cc1F ZINC000496417112 539114278 /nfs/dbraw/zinc/11/42/78/539114278.db2.gz KLJOMMDMRBGXIK-CYBMUJFWSA-N 1 2 289.310 1.724 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)OCC[C@@H]3C2)cc1F ZINC000496417112 539114279 /nfs/dbraw/zinc/11/42/79/539114279.db2.gz KLJOMMDMRBGXIK-CYBMUJFWSA-N 1 2 289.310 1.724 20 30 CDEDLO C[C@H](C#N)Cn1[nH]c2c(c1=O)C[N@H+](Cc1ccccc1)CC2 ZINC000594659605 342936453 /nfs/dbraw/zinc/93/64/53/342936453.db2.gz GNVVNWYXYROMOS-UKRRQHHQSA-N 1 2 296.374 1.866 20 30 CDEDLO C[C@H](C#N)Cn1[nH]c2c(c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000594659605 342936454 /nfs/dbraw/zinc/93/64/54/342936454.db2.gz GNVVNWYXYROMOS-UKRRQHHQSA-N 1 2 296.374 1.866 20 30 CDEDLO CNS(=O)(=O)c1ccc(C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000595301768 343028526 /nfs/dbraw/zinc/02/85/26/343028526.db2.gz ORIIRMXDZTUZPK-LLVKDONJSA-N 1 2 281.381 1.186 20 30 CDEDLO CNS(=O)(=O)c1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000595301768 343028527 /nfs/dbraw/zinc/02/85/27/343028527.db2.gz ORIIRMXDZTUZPK-LLVKDONJSA-N 1 2 281.381 1.186 20 30 CDEDLO CO[C@H](C[N@H+](CCC#N)Cc1cccnc1)[C@H]1CCOC1 ZINC000595339394 343030188 /nfs/dbraw/zinc/03/01/88/343030188.db2.gz NZOSVVZXWVKCDL-JKSUJKDBSA-N 1 2 289.379 1.849 20 30 CDEDLO CO[C@H](C[N@@H+](CCC#N)Cc1cccnc1)[C@H]1CCOC1 ZINC000595339394 343030191 /nfs/dbraw/zinc/03/01/91/343030191.db2.gz NZOSVVZXWVKCDL-JKSUJKDBSA-N 1 2 289.379 1.849 20 30 CDEDLO N#Cc1cnnc(NCC2CC[NH+](CC(F)F)CC2)c1 ZINC000596240825 343284556 /nfs/dbraw/zinc/28/45/56/343284556.db2.gz ZUKWQYOTTHPGSH-UHFFFAOYSA-N 1 2 281.310 1.159 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000596637325 343363255 /nfs/dbraw/zinc/36/32/55/343363255.db2.gz TWGBMYLJJCFTHW-ZOBORPQBSA-N 1 2 294.399 1.087 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000596637325 343363256 /nfs/dbraw/zinc/36/32/56/343363256.db2.gz TWGBMYLJJCFTHW-ZOBORPQBSA-N 1 2 294.399 1.087 20 30 CDEDLO COC1(CO)CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000401951188 343708825 /nfs/dbraw/zinc/70/88/25/343708825.db2.gz UUXFUFSUKCASKD-UHFFFAOYSA-N 1 2 261.325 1.239 20 30 CDEDLO CN1CC[C@H]([N@H+](C)CC(=O)NC2CCCC2)C1=O ZINC000329085975 529819441 /nfs/dbraw/zinc/81/94/41/529819441.db2.gz UPSZUFBACRSSDS-NSHDSACASA-N 1 2 253.346 1.048 20 30 CDEDLO CN1CC[C@H]([N@@H+](C)CC(=O)NC2CCCC2)C1=O ZINC000329085975 529819442 /nfs/dbraw/zinc/81/94/42/529819442.db2.gz UPSZUFBACRSSDS-NSHDSACASA-N 1 2 253.346 1.048 20 30 CDEDLO C=C[C@@H]([NH2+]CCCNC(=O)c1occc1C)C(=O)OC ZINC000619702946 349859356 /nfs/dbraw/zinc/85/93/56/349859356.db2.gz UNXJFVBPXARNKI-LLVKDONJSA-N 1 2 280.324 1.025 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000619717170 349867929 /nfs/dbraw/zinc/86/79/29/349867929.db2.gz FCPSEVXGYWXGMG-STQMWFEESA-N 1 2 282.384 1.198 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000619717170 349867931 /nfs/dbraw/zinc/86/79/31/349867931.db2.gz FCPSEVXGYWXGMG-STQMWFEESA-N 1 2 282.384 1.198 20 30 CDEDLO Cc1nc(C(C)(C)[NH2+]C[C@@H](O)CC(C)(C)C#N)no1 ZINC000598596377 343840653 /nfs/dbraw/zinc/84/06/53/343840653.db2.gz PAQALWZCLXGZRQ-JTQLQIEISA-N 1 2 266.345 1.504 20 30 CDEDLO Cc1ccccc1COCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000598836480 343914553 /nfs/dbraw/zinc/91/45/53/343914553.db2.gz KJFNGSALIYNRTO-INIZCTEOSA-N 1 2 289.379 1.472 20 30 CDEDLO N#Cc1ccc(CC(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000598945380 343925075 /nfs/dbraw/zinc/92/50/75/343925075.db2.gz BAWQSCBCXIOOAW-AWEZNQCLSA-N 1 2 280.331 1.428 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCc3cnc(N)nc3C2)c1 ZINC000598950079 343933476 /nfs/dbraw/zinc/93/34/76/343933476.db2.gz NZUQZKODPBLFAZ-UHFFFAOYSA-N 1 2 265.320 1.319 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCc3cnc(N)nc3C2)c1 ZINC000598950079 343933479 /nfs/dbraw/zinc/93/34/79/343933479.db2.gz NZUQZKODPBLFAZ-UHFFFAOYSA-N 1 2 265.320 1.319 20 30 CDEDLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CC1(C#N)CCC1 ZINC000332004766 362351717 /nfs/dbraw/zinc/35/17/17/362351717.db2.gz RIDOGIFQRYDBMM-GFCCVEGCSA-N 1 2 285.413 1.084 20 30 CDEDLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CC1(C#N)CCC1 ZINC000332004766 362351722 /nfs/dbraw/zinc/35/17/22/362351722.db2.gz RIDOGIFQRYDBMM-GFCCVEGCSA-N 1 2 285.413 1.084 20 30 CDEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(CCC#N)C(C)(C)CC ZINC000602306762 344394862 /nfs/dbraw/zinc/39/48/62/344394862.db2.gz GEWLLZFBNHCCNZ-CYBMUJFWSA-N 1 2 281.400 1.638 20 30 CDEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N(CCC#N)C(C)(C)CC ZINC000602306762 344394863 /nfs/dbraw/zinc/39/48/63/344394863.db2.gz GEWLLZFBNHCCNZ-CYBMUJFWSA-N 1 2 281.400 1.638 20 30 CDEDLO CCn1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(C2CC2)n1 ZINC000602331915 344402237 /nfs/dbraw/zinc/40/22/37/344402237.db2.gz IFMWXQVUZFTIPS-HNNXBMFYSA-N 1 2 289.383 1.354 20 30 CDEDLO CC(C)[C@H](C#N)N1CC[NH+](CCc2cnccn2)CC1 ZINC000602794607 344585862 /nfs/dbraw/zinc/58/58/62/344585862.db2.gz JJYNGLBKFGHANX-HNNXBMFYSA-N 1 2 273.384 1.185 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(C)CCCOc1ccccc1 ZINC000602859726 344616267 /nfs/dbraw/zinc/61/62/67/344616267.db2.gz AILCDRFSESEZPQ-AWEZNQCLSA-N 1 2 289.379 1.806 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000602861312 344616680 /nfs/dbraw/zinc/61/66/80/344616680.db2.gz GBRZIUUDRXQLPO-UMSGYPCISA-N 1 2 251.374 1.819 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000602860700 344616866 /nfs/dbraw/zinc/61/68/66/344616866.db2.gz FJNUYQQAMPBBOB-MCIONIFRSA-N 1 2 281.400 1.590 20 30 CDEDLO Cc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000602861766 344617490 /nfs/dbraw/zinc/61/74/90/344617490.db2.gz ISKSYNSAJSPIET-CHWSQXEVSA-N 1 2 259.353 1.892 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)N1CCC[C@](C)(C#N)C1 ZINC000612158064 347061815 /nfs/dbraw/zinc/06/18/15/347061815.db2.gz HJWWLNTWVFAXHB-UONOGXRCSA-N 1 2 251.374 1.333 20 30 CDEDLO CCOC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)CC#N)cc1 ZINC000602869760 344640469 /nfs/dbraw/zinc/64/04/69/344640469.db2.gz OMQJMKKEYPZNQV-LLVKDONJSA-N 1 2 289.335 1.694 20 30 CDEDLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)CC#N)cc1OC ZINC000602869978 344640663 /nfs/dbraw/zinc/64/06/63/344640663.db2.gz RLIFTUJLCLYCLI-MNOVXSKESA-N 1 2 291.351 1.923 20 30 CDEDLO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166969 347068469 /nfs/dbraw/zinc/06/84/69/347068469.db2.gz TZOSFRWYZRPICE-OCCSQVGLSA-N 1 2 251.374 1.869 20 30 CDEDLO CCN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166969 347068472 /nfs/dbraw/zinc/06/84/72/347068472.db2.gz TZOSFRWYZRPICE-OCCSQVGLSA-N 1 2 251.374 1.869 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)OC(C)(C)C)nn1 ZINC000603201640 344733288 /nfs/dbraw/zinc/73/32/88/344733288.db2.gz GUBWZCOSEBRKKX-NSHDSACASA-N 1 2 278.356 1.294 20 30 CDEDLO N#CCCN1CC[NH+]([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000603016534 344691159 /nfs/dbraw/zinc/69/11/59/344691159.db2.gz HNSMTWLRQXIHTL-MRXNPFEDSA-N 1 2 298.390 1.471 20 30 CDEDLO CN1CC[N@H+](C)[C@H](CNC(=O)CC2(O)CCCCC2)C1 ZINC000329972306 530070620 /nfs/dbraw/zinc/07/06/20/530070620.db2.gz YCFWUWPPJQFWAK-CYBMUJFWSA-N 1 2 283.416 1.274 20 30 CDEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)CC2(O)CCCCC2)C1 ZINC000329972306 530070621 /nfs/dbraw/zinc/07/06/21/530070621.db2.gz YCFWUWPPJQFWAK-CYBMUJFWSA-N 1 2 283.416 1.274 20 30 CDEDLO Cc1cc(NC[C@@H](n2cncn2)C(F)(F)F)c(C#N)c[nH+]1 ZINC000601219476 349927663 /nfs/dbraw/zinc/92/76/63/349927663.db2.gz MTKLVOYUVPENJG-LLVKDONJSA-N 1 2 296.256 1.491 20 30 CDEDLO C=CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H](C)COC ZINC000617579014 345865579 /nfs/dbraw/zinc/86/55/79/345865579.db2.gz WEDWZRHGIPMNFA-STQMWFEESA-N 1 2 277.368 1.495 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623304063 346022860 /nfs/dbraw/zinc/02/28/60/346022860.db2.gz PWDZAXXIGSYNCW-NEPJUHHUSA-N 1 2 263.341 1.295 20 30 CDEDLO COCC[N@H+](CCC#N)C[C@H](O)COc1ccccc1F ZINC000610511747 346300578 /nfs/dbraw/zinc/30/05/78/346300578.db2.gz TXQUXVQKQTUONB-ZDUSSCGKSA-N 1 2 296.342 1.427 20 30 CDEDLO COCC[N@@H+](CCC#N)C[C@H](O)COc1ccccc1F ZINC000610511747 346300582 /nfs/dbraw/zinc/30/05/82/346300582.db2.gz TXQUXVQKQTUONB-ZDUSSCGKSA-N 1 2 296.342 1.427 20 30 CDEDLO Cc1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC000610888305 346482940 /nfs/dbraw/zinc/48/29/40/346482940.db2.gz IWKHRTGWVYTCHV-JQWIXIFHSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1cnc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC000610888305 346482944 /nfs/dbraw/zinc/48/29/44/346482944.db2.gz IWKHRTGWVYTCHV-JQWIXIFHSA-N 1 2 276.340 1.175 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCn3c(nnc3C3CC3)C2)ccn1 ZINC000610992832 346569605 /nfs/dbraw/zinc/56/96/05/346569605.db2.gz MXYHCXURHQITSG-UHFFFAOYSA-N 1 2 280.335 1.438 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCn3c(nnc3C3CC3)C2)ccn1 ZINC000610992832 346569608 /nfs/dbraw/zinc/56/96/08/346569608.db2.gz MXYHCXURHQITSG-UHFFFAOYSA-N 1 2 280.335 1.438 20 30 CDEDLO CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)c1cccc(C#N)c1 ZINC000611012022 346576589 /nfs/dbraw/zinc/57/65/89/346576589.db2.gz GDZCQGIFDNBEFJ-ZDUSSCGKSA-N 1 2 280.331 1.980 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611175298 346628564 /nfs/dbraw/zinc/62/85/64/346628564.db2.gz CYLGCSGHVKHRSG-OAHLLOKOSA-N 1 2 292.427 1.331 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)Cc1[nH]cc[nH+]1 ZINC000611191161 346685447 /nfs/dbraw/zinc/68/54/47/346685447.db2.gz TWWJWGDHLYAYIX-LBPRGKRZSA-N 1 2 289.383 1.573 20 30 CDEDLO CCCC[C@H]([NH2+]C1CCN(CC#N)CC1)C(=O)OC ZINC000611193594 346689529 /nfs/dbraw/zinc/68/95/29/346689529.db2.gz ODZITOGZZVUTMV-ZDUSSCGKSA-N 1 2 267.373 1.296 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000611374053 346772577 /nfs/dbraw/zinc/77/25/77/346772577.db2.gz CSVJRAOIEGATQJ-UHFFFAOYSA-N 1 2 272.327 1.729 20 30 CDEDLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612321257 347113234 /nfs/dbraw/zinc/11/32/34/347113234.db2.gz UNDMDBCJVYSTHD-CQSZACIVSA-N 1 2 258.325 1.970 20 30 CDEDLO N#CCCC[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000085785611 179170890 /nfs/dbraw/zinc/17/08/90/179170890.db2.gz VCCHVCDKJBSUCM-UHFFFAOYSA-N 1 2 273.336 1.454 20 30 CDEDLO N#Cc1ccc(Cl)cc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000086114935 179234050 /nfs/dbraw/zinc/23/40/50/179234050.db2.gz WGEOJFCAYZNEDT-CYBMUJFWSA-N 1 2 295.770 1.317 20 30 CDEDLO C[C@@]([NH2+]CC1(C#N)CCC1)(C(N)=O)c1ccccc1 ZINC000450532095 362830990 /nfs/dbraw/zinc/83/09/90/362830990.db2.gz MVXBLDULXKYNSJ-AWEZNQCLSA-N 1 2 257.337 1.671 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccsc1 ZINC000017307614 347710252 /nfs/dbraw/zinc/71/02/52/347710252.db2.gz XBVUQTFZHZTKEY-UHFFFAOYSA-N 1 2 267.354 1.192 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1ccsc1 ZINC000017307614 347710256 /nfs/dbraw/zinc/71/02/56/347710256.db2.gz XBVUQTFZHZTKEY-UHFFFAOYSA-N 1 2 267.354 1.192 20 30 CDEDLO CO[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000054852366 347832610 /nfs/dbraw/zinc/83/26/10/347832610.db2.gz HMOYZIBDCJJYOW-ZDUSSCGKSA-N 1 2 287.363 1.237 20 30 CDEDLO C=C[C@@H](C(=O)OC)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000619719498 348191819 /nfs/dbraw/zinc/19/18/19/348191819.db2.gz DHUVUZXNOLKXCF-HNNXBMFYSA-N 1 2 290.363 1.237 20 30 CDEDLO C#CC[N@@H+](Cc1cnnn1C)[C@H]1CCc2ccccc21 ZINC000127551079 348239361 /nfs/dbraw/zinc/23/93/61/348239361.db2.gz OILBJEPCOHPWKT-INIZCTEOSA-N 1 2 266.348 1.938 20 30 CDEDLO C#CC[N@H+](Cc1cnnn1C)[C@H]1CCc2ccccc21 ZINC000127551079 348239363 /nfs/dbraw/zinc/23/93/63/348239363.db2.gz OILBJEPCOHPWKT-INIZCTEOSA-N 1 2 266.348 1.938 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCc3ncsc3C2)ccn1 ZINC000615000421 348301152 /nfs/dbraw/zinc/30/11/52/348301152.db2.gz CNNMTNMIPQCEDE-UHFFFAOYSA-N 1 2 256.334 1.968 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCc3ncsc3C2)ccn1 ZINC000615000421 348301154 /nfs/dbraw/zinc/30/11/54/348301154.db2.gz CNNMTNMIPQCEDE-UHFFFAOYSA-N 1 2 256.334 1.968 20 30 CDEDLO Cc1cccc(OC[C@@H](O)C[N@H+](C)CCC#N)c1[N+](=O)[O-] ZINC000414122386 362920978 /nfs/dbraw/zinc/92/09/78/362920978.db2.gz FXVNUGPMNVQGLD-LBPRGKRZSA-N 1 2 293.323 1.488 20 30 CDEDLO Cc1cccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c1[N+](=O)[O-] ZINC000414122386 362920983 /nfs/dbraw/zinc/92/09/83/362920983.db2.gz FXVNUGPMNVQGLD-LBPRGKRZSA-N 1 2 293.323 1.488 20 30 CDEDLO C[C@@H](C#N)CN(C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000043477410 348756559 /nfs/dbraw/zinc/75/65/59/348756559.db2.gz UOUTVTDAKGPWEU-NSHDSACASA-N 1 2 271.324 1.635 20 30 CDEDLO C#CC[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)C1CCCCC1 ZINC000066496898 348988020 /nfs/dbraw/zinc/98/80/20/348988020.db2.gz BZMPNJXCOWTANY-UHFFFAOYSA-N 1 2 284.363 1.791 20 30 CDEDLO C#CC[N@H+](Cc1cc(=O)n2[nH]ccc2n1)C1CCCCC1 ZINC000066496898 348988026 /nfs/dbraw/zinc/98/80/26/348988026.db2.gz BZMPNJXCOWTANY-UHFFFAOYSA-N 1 2 284.363 1.791 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000068445566 349064205 /nfs/dbraw/zinc/06/42/05/349064205.db2.gz YOWAXOWFUALBMS-UHFFFAOYSA-N 1 2 293.348 1.437 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000271228158 191013831 /nfs/dbraw/zinc/01/38/31/191013831.db2.gz SEEWDCJADJHQBF-GFCCVEGCSA-N 1 2 268.313 1.707 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000271228158 191013835 /nfs/dbraw/zinc/01/38/35/191013835.db2.gz SEEWDCJADJHQBF-GFCCVEGCSA-N 1 2 268.313 1.707 20 30 CDEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccns3)CC2)c1 ZINC000602437429 350109686 /nfs/dbraw/zinc/10/96/86/350109686.db2.gz XJKCYNDTUOMBPH-UHFFFAOYSA-N 1 2 285.376 1.732 20 30 CDEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cccc(C#N)n1 ZINC000602469583 350111619 /nfs/dbraw/zinc/11/16/19/350111619.db2.gz UUMDYIXYQASGGV-QWRGUYRKSA-N 1 2 281.381 1.207 20 30 CDEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602469583 350111621 /nfs/dbraw/zinc/11/16/21/350111621.db2.gz UUMDYIXYQASGGV-QWRGUYRKSA-N 1 2 281.381 1.207 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)C[C@H](C2CC2)O1 ZINC000602646525 350135669 /nfs/dbraw/zinc/13/56/69/350135669.db2.gz ASWDBDCEIPBNSX-IAQYHMDHSA-N 1 2 257.337 1.953 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)C[C@H](C2CC2)O1 ZINC000602646525 350135672 /nfs/dbraw/zinc/13/56/72/350135672.db2.gz ASWDBDCEIPBNSX-IAQYHMDHSA-N 1 2 257.337 1.953 20 30 CDEDLO COCC[N@H+](Cc1cccnc1)Cc1cccc(C#N)n1 ZINC000602657610 350137783 /nfs/dbraw/zinc/13/77/83/350137783.db2.gz OQRIWRKTGPVHGG-UHFFFAOYSA-N 1 2 282.347 1.997 20 30 CDEDLO COCC[N@@H+](Cc1cccnc1)Cc1cccc(C#N)n1 ZINC000602657610 350137785 /nfs/dbraw/zinc/13/77/85/350137785.db2.gz OQRIWRKTGPVHGG-UHFFFAOYSA-N 1 2 282.347 1.997 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@@H]2C2CCC2)n1 ZINC000602697972 350141516 /nfs/dbraw/zinc/14/15/16/350141516.db2.gz RNPBRHULPOPDCJ-OAHLLOKOSA-N 1 2 257.337 1.954 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCOC[C@@H]2C2CCC2)n1 ZINC000602697972 350141520 /nfs/dbraw/zinc/14/15/20/350141520.db2.gz RNPBRHULPOPDCJ-OAHLLOKOSA-N 1 2 257.337 1.954 20 30 CDEDLO COCC[N@H+](C)Cc1cn([C@@H](C)c2cccc(C#N)c2)nn1 ZINC000603231830 350232260 /nfs/dbraw/zinc/23/22/60/350232260.db2.gz CPRHKYARJCKAFE-ZDUSSCGKSA-N 1 2 299.378 1.837 20 30 CDEDLO COCC[N@@H+](C)Cc1cn([C@@H](C)c2cccc(C#N)c2)nn1 ZINC000603231830 350232262 /nfs/dbraw/zinc/23/22/62/350232262.db2.gz CPRHKYARJCKAFE-ZDUSSCGKSA-N 1 2 299.378 1.837 20 30 CDEDLO N#Cc1ccncc1N1CCN(c2cc[nH+]cc2F)CC1 ZINC000603387770 350270743 /nfs/dbraw/zinc/27/07/43/350270743.db2.gz OAEDBFIJLKSOPT-UHFFFAOYSA-N 1 2 283.310 1.814 20 30 CDEDLO C=CCOCCCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620601588 350276434 /nfs/dbraw/zinc/27/64/34/350276434.db2.gz XTMMVNFVRMUCFW-NSHDSACASA-N 1 2 251.330 1.580 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000291602496 198046876 /nfs/dbraw/zinc/04/68/76/198046876.db2.gz QRWRBAKWSIMSNF-OCCSQVGLSA-N 1 2 290.367 1.390 20 30 CDEDLO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000292144722 198179815 /nfs/dbraw/zinc/17/98/15/198179815.db2.gz IDDRWWXABLNATP-AWEZNQCLSA-N 1 2 278.377 1.425 20 30 CDEDLO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000292144722 198179816 /nfs/dbraw/zinc/17/98/16/198179816.db2.gz IDDRWWXABLNATP-AWEZNQCLSA-N 1 2 278.377 1.425 20 30 CDEDLO CC#CCC[NH+]1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000155032352 188178054 /nfs/dbraw/zinc/17/80/54/188178054.db2.gz PCYOTQKUJHCNHB-UHFFFAOYSA-N 1 2 292.404 1.406 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000156499759 188265647 /nfs/dbraw/zinc/26/56/47/188265647.db2.gz NWEVNDKRTGDWTI-CHWSQXEVSA-N 1 2 252.358 1.296 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000156499759 188265649 /nfs/dbraw/zinc/26/56/49/188265649.db2.gz NWEVNDKRTGDWTI-CHWSQXEVSA-N 1 2 252.358 1.296 20 30 CDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc(C#N)cc1F ZINC000376183811 291067590 /nfs/dbraw/zinc/06/75/90/291067590.db2.gz DLESQRDDFILCRU-GXTWGEPZSA-N 1 2 289.354 1.997 20 30 CDEDLO N#Cc1ccc(Cl)c(C(=O)NCC[NH+]2CCOCC2)c1 ZINC000286223119 356232253 /nfs/dbraw/zinc/23/22/53/356232253.db2.gz QZRMYOGWBIVZOL-UHFFFAOYSA-N 1 2 293.754 1.274 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCSC[C@@H]2CO)c1F ZINC000336558999 356207342 /nfs/dbraw/zinc/20/73/42/356207342.db2.gz ZSEXLGADTMOWJS-LBPRGKRZSA-N 1 2 266.341 1.607 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCSC[C@@H]2CO)c1F ZINC000336558999 356207343 /nfs/dbraw/zinc/20/73/43/356207343.db2.gz ZSEXLGADTMOWJS-LBPRGKRZSA-N 1 2 266.341 1.607 20 30 CDEDLO N#Cc1ccc(N2CCn3c[nH+]cc3C2)c([N+](=O)[O-])c1 ZINC000377982312 283171076 /nfs/dbraw/zinc/17/10/76/283171076.db2.gz FUXOSTZIWMMFFA-UHFFFAOYSA-N 1 2 269.264 1.683 20 30 CDEDLO N#CC1(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CCC1 ZINC000363350205 356507942 /nfs/dbraw/zinc/50/79/42/356507942.db2.gz VNOIRMJWIHKVRU-UHFFFAOYSA-N 1 2 281.319 1.577 20 30 CDEDLO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000578690656 356777175 /nfs/dbraw/zinc/77/71/75/356777175.db2.gz FFLHPMRXTYVIKW-CYBMUJFWSA-N 1 2 273.336 1.430 20 30 CDEDLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000578690656 356777176 /nfs/dbraw/zinc/77/71/76/356777176.db2.gz FFLHPMRXTYVIKW-CYBMUJFWSA-N 1 2 273.336 1.430 20 30 CDEDLO C#CC[N@@H+](CC(=O)N(C)C1CC1)Cc1ccc(F)cc1 ZINC000062363578 356745936 /nfs/dbraw/zinc/74/59/36/356745936.db2.gz HMTVBAHLBILEQL-UHFFFAOYSA-N 1 2 274.339 1.882 20 30 CDEDLO C#CC[N@H+](CC(=O)N(C)C1CC1)Cc1ccc(F)cc1 ZINC000062363578 356745941 /nfs/dbraw/zinc/74/59/41/356745941.db2.gz HMTVBAHLBILEQL-UHFFFAOYSA-N 1 2 274.339 1.882 20 30 CDEDLO Cc1nnc(C[N@H+](C)CCOCc2ccc(C#N)cc2)o1 ZINC000344102005 356887818 /nfs/dbraw/zinc/88/78/18/356887818.db2.gz DEYJGIFIPIKBHS-UHFFFAOYSA-N 1 2 286.335 1.898 20 30 CDEDLO Cc1nnc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)o1 ZINC000344102005 356887824 /nfs/dbraw/zinc/88/78/24/356887824.db2.gz DEYJGIFIPIKBHS-UHFFFAOYSA-N 1 2 286.335 1.898 20 30 CDEDLO C=CCCOCCNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000299087843 356970509 /nfs/dbraw/zinc/97/05/09/356970509.db2.gz WBNNDMVZRBRSIO-NSHDSACASA-N 1 2 266.345 1.274 20 30 CDEDLO C=CCCOCCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000299087843 356970510 /nfs/dbraw/zinc/97/05/10/356970510.db2.gz WBNNDMVZRBRSIO-NSHDSACASA-N 1 2 266.345 1.274 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185190898 357520399 /nfs/dbraw/zinc/52/03/99/357520399.db2.gz VUKIFBUEYBPVIW-OAHLLOKOSA-N 1 2 258.321 1.550 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185190898 357520404 /nfs/dbraw/zinc/52/04/04/357520404.db2.gz VUKIFBUEYBPVIW-OAHLLOKOSA-N 1 2 258.321 1.550 20 30 CDEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc(C#N)o1 ZINC000334479007 357594736 /nfs/dbraw/zinc/59/47/36/357594736.db2.gz RMKXFQREZBHDFK-UHFFFAOYSA-N 1 2 284.319 1.956 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCSC[C@H]2CO)cc1F ZINC000334660980 357615763 /nfs/dbraw/zinc/61/57/63/357615763.db2.gz BWWJJRWNBWCQTK-GFCCVEGCSA-N 1 2 266.341 1.607 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCSC[C@H]2CO)cc1F ZINC000334660980 357615768 /nfs/dbraw/zinc/61/57/68/357615768.db2.gz BWWJJRWNBWCQTK-GFCCVEGCSA-N 1 2 266.341 1.607 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCC[C@]23CCOC3=O)ccc1F ZINC000186750078 357683841 /nfs/dbraw/zinc/68/38/41/357683841.db2.gz NUBQWRJVZCVZAG-OAHLLOKOSA-N 1 2 274.295 1.979 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCC[C@]23CCOC3=O)ccc1F ZINC000186750078 357683845 /nfs/dbraw/zinc/68/38/45/357683845.db2.gz NUBQWRJVZCVZAG-OAHLLOKOSA-N 1 2 274.295 1.979 20 30 CDEDLO N#Cc1ccc(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000335560465 357926025 /nfs/dbraw/zinc/92/60/25/357926025.db2.gz VXVGIYIJHTXBID-AWEZNQCLSA-N 1 2 280.331 1.634 20 30 CDEDLO CCN1CCC[N@H+](Cc2ccc(OC)c(C#N)c2)CC1=O ZINC000190191302 358058539 /nfs/dbraw/zinc/05/85/39/358058539.db2.gz AHRGAXBMKSTLHM-UHFFFAOYSA-N 1 2 287.363 1.621 20 30 CDEDLO CCN1CCC[N@@H+](Cc2ccc(OC)c(C#N)c2)CC1=O ZINC000190191302 358058540 /nfs/dbraw/zinc/05/85/40/358058540.db2.gz AHRGAXBMKSTLHM-UHFFFAOYSA-N 1 2 287.363 1.621 20 30 CDEDLO Cn1cc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1C#N ZINC000191236520 358121905 /nfs/dbraw/zinc/12/19/05/358121905.db2.gz CHNGSXZCJCKCSN-CYBMUJFWSA-N 1 2 293.392 1.048 20 30 CDEDLO Cn1cc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1C#N ZINC000191236520 358121910 /nfs/dbraw/zinc/12/19/10/358121910.db2.gz CHNGSXZCJCKCSN-CYBMUJFWSA-N 1 2 293.392 1.048 20 30 CDEDLO N#CCCCCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000192304117 358188052 /nfs/dbraw/zinc/18/80/52/358188052.db2.gz MNCGOABMKNTIDA-UHFFFAOYSA-N 1 2 261.329 1.419 20 30 CDEDLO N#CCCCCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000192304117 358188053 /nfs/dbraw/zinc/18/80/53/358188053.db2.gz MNCGOABMKNTIDA-UHFFFAOYSA-N 1 2 261.329 1.419 20 30 CDEDLO Cc1ccnc(-c2noc(C[N@@H+]3CC[C@@](O)(CC#N)C3)n2)c1 ZINC000592152815 358588107 /nfs/dbraw/zinc/58/81/07/358588107.db2.gz FCROWTDUFMEQBO-HNNXBMFYSA-N 1 2 299.334 1.291 20 30 CDEDLO Cc1ccnc(-c2noc(C[N@H+]3CC[C@@](O)(CC#N)C3)n2)c1 ZINC000592152815 358588109 /nfs/dbraw/zinc/58/81/09/358588109.db2.gz FCROWTDUFMEQBO-HNNXBMFYSA-N 1 2 299.334 1.291 20 30 CDEDLO C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000185107488 358772770 /nfs/dbraw/zinc/77/27/70/358772770.db2.gz ANKVYKZHHXYNDX-BIBXISHDSA-N 1 2 293.392 1.196 20 30 CDEDLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000185107488 358772774 /nfs/dbraw/zinc/77/27/74/358772774.db2.gz ANKVYKZHHXYNDX-BIBXISHDSA-N 1 2 293.392 1.196 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)nc1)C1CC1 ZINC000341700712 358792986 /nfs/dbraw/zinc/79/29/86/358792986.db2.gz AHJJUZCRMCLBOU-ZDUSSCGKSA-N 1 2 281.319 1.568 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000494869346 366513216 /nfs/dbraw/zinc/51/32/16/366513216.db2.gz CTSJVESQHAXOPO-LSDHHAIUSA-N 1 2 294.443 1.372 20 30 CDEDLO CCOC(=O)N[C@@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000494609330 366507454 /nfs/dbraw/zinc/50/74/54/366507454.db2.gz YVVQVPULKCORDS-LLVKDONJSA-N 1 2 251.330 1.501 20 30 CDEDLO CCOC(=O)N[C@@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000494609330 366507460 /nfs/dbraw/zinc/50/74/60/366507460.db2.gz YVVQVPULKCORDS-LLVKDONJSA-N 1 2 251.330 1.501 20 30 CDEDLO COCC[C@H]1COCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000291280871 358908683 /nfs/dbraw/zinc/90/86/83/358908683.db2.gz OQFHKSIYAUQPJZ-ZDUSSCGKSA-N 1 2 263.341 1.134 20 30 CDEDLO COCC[C@H]1COCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000291280871 358908685 /nfs/dbraw/zinc/90/86/85/358908685.db2.gz OQFHKSIYAUQPJZ-ZDUSSCGKSA-N 1 2 263.341 1.134 20 30 CDEDLO C=CCOCCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000643236512 358927046 /nfs/dbraw/zinc/92/70/46/358927046.db2.gz IZZQTOVOQHHQJO-UHFFFAOYSA-N 1 2 263.341 1.700 20 30 CDEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@H]1O ZINC000451765487 359078907 /nfs/dbraw/zinc/07/89/07/359078907.db2.gz YOKPXUXBNQNBAI-DGCLKSJQSA-N 1 2 298.289 1.351 20 30 CDEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@H]1O ZINC000451765487 359078913 /nfs/dbraw/zinc/07/89/13/359078913.db2.gz YOKPXUXBNQNBAI-DGCLKSJQSA-N 1 2 298.289 1.351 20 30 CDEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H]2CC[C@H](C)C2)c1C#N ZINC000540657723 359080978 /nfs/dbraw/zinc/08/09/78/359080978.db2.gz KITIHNDUNPBUCX-WDEREUQCSA-N 1 2 289.383 1.230 20 30 CDEDLO CC(C)[C@H](NC(=O)c1ccc(C#N)nc1)c1[nH]cc[nH+]1 ZINC000338882644 359192079 /nfs/dbraw/zinc/19/20/79/359192079.db2.gz ZGWHEXMDRYXHDR-LBPRGKRZSA-N 1 2 269.308 1.803 20 30 CDEDLO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@@H+]1C ZINC000344770303 359133056 /nfs/dbraw/zinc/13/30/56/359133056.db2.gz KQZSBLWPYPAAIV-LBPRGKRZSA-N 1 2 297.380 1.112 20 30 CDEDLO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@H+]1C ZINC000344770303 359133061 /nfs/dbraw/zinc/13/30/61/359133061.db2.gz KQZSBLWPYPAAIV-LBPRGKRZSA-N 1 2 297.380 1.112 20 30 CDEDLO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CC(N)=O ZINC000269561296 359372895 /nfs/dbraw/zinc/37/28/95/359372895.db2.gz IYTMTTGVRBQMQW-UHFFFAOYSA-N 1 2 286.253 1.354 20 30 CDEDLO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CC(N)=O ZINC000269561296 359372904 /nfs/dbraw/zinc/37/29/04/359372904.db2.gz IYTMTTGVRBQMQW-UHFFFAOYSA-N 1 2 286.253 1.354 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](CC)CC(=O)NCC ZINC000270774091 359410882 /nfs/dbraw/zinc/41/08/82/359410882.db2.gz MPRKFFANWILZCG-ZDUSSCGKSA-N 1 2 281.400 1.034 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](CC)CC(=O)NCC ZINC000270774091 359410888 /nfs/dbraw/zinc/41/08/88/359410888.db2.gz MPRKFFANWILZCG-ZDUSSCGKSA-N 1 2 281.400 1.034 20 30 CDEDLO C=CCCN(C)c1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000277316499 359561656 /nfs/dbraw/zinc/56/16/56/359561656.db2.gz CXKJALCFQHPXKW-CYBMUJFWSA-N 1 2 276.384 1.840 20 30 CDEDLO C=CCCN(C)c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000277316499 359561659 /nfs/dbraw/zinc/56/16/59/359561659.db2.gz CXKJALCFQHPXKW-CYBMUJFWSA-N 1 2 276.384 1.840 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000278093958 359577835 /nfs/dbraw/zinc/57/78/35/359577835.db2.gz YTJVWGZTGINBLC-UHFFFAOYSA-N 1 2 278.396 1.736 20 30 CDEDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc(C#N)c(O)c1 ZINC000408428517 359768683 /nfs/dbraw/zinc/76/86/83/359768683.db2.gz UXCCNTOKMAXNCI-WDEREUQCSA-N 1 2 273.336 1.428 20 30 CDEDLO C#CC[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C(=O)OC ZINC000496024680 366610015 /nfs/dbraw/zinc/61/00/15/366610015.db2.gz AFOHGDMFTPDOIR-NSHDSACASA-N 1 2 298.383 1.444 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CC(=O)N(CC)CC ZINC000298065959 200326626 /nfs/dbraw/zinc/32/66/26/200326626.db2.gz LBZPSHDODSGDCU-CQSZACIVSA-N 1 2 295.427 1.376 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CC(=O)N(CC)CC ZINC000298065959 200326628 /nfs/dbraw/zinc/32/66/28/200326628.db2.gz LBZPSHDODSGDCU-CQSZACIVSA-N 1 2 295.427 1.376 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](C)N(CC)C[C@H]2C)C1=O ZINC000337197078 360019913 /nfs/dbraw/zinc/01/99/13/360019913.db2.gz YBPKXHREKGWTQH-MJBXVCDLSA-N 1 2 265.401 1.188 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](C)N(CC)C[C@H]2C)C1=O ZINC000337197078 360019917 /nfs/dbraw/zinc/01/99/17/360019917.db2.gz YBPKXHREKGWTQH-MJBXVCDLSA-N 1 2 265.401 1.188 20 30 CDEDLO N#CC1(C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)CCC1 ZINC000514840450 360235992 /nfs/dbraw/zinc/23/59/92/360235992.db2.gz JDMPGRDNJSRYGG-BFHYXJOUSA-N 1 2 264.369 1.542 20 30 CDEDLO N#CC1(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)CCC1 ZINC000514840450 360235995 /nfs/dbraw/zinc/23/59/95/360235995.db2.gz JDMPGRDNJSRYGG-BFHYXJOUSA-N 1 2 264.369 1.542 20 30 CDEDLO C=CCN(C)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000121430962 360239817 /nfs/dbraw/zinc/23/98/17/360239817.db2.gz VBRVDZMMZLJUSK-UHFFFAOYSA-N 1 2 298.346 1.670 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000424653056 360330304 /nfs/dbraw/zinc/33/03/04/360330304.db2.gz RTNPASQCZGWIKD-UHFFFAOYSA-N 1 2 290.411 1.667 20 30 CDEDLO Cc1cccc(C[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)n1 ZINC000348577807 360423666 /nfs/dbraw/zinc/42/36/66/360423666.db2.gz MZNCPNLMJIGJLZ-MRXNPFEDSA-N 1 2 288.395 1.876 20 30 CDEDLO Cc1cccc(C[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)n1 ZINC000348577807 360423670 /nfs/dbraw/zinc/42/36/70/360423670.db2.gz MZNCPNLMJIGJLZ-MRXNPFEDSA-N 1 2 288.395 1.876 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2oc(CC)nc2C)C1=O ZINC000428971779 360734408 /nfs/dbraw/zinc/73/44/08/360734408.db2.gz ACPFLPFGFGMTIU-LBPRGKRZSA-N 1 2 277.368 1.764 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2oc(CC)nc2C)C1=O ZINC000428971779 360734412 /nfs/dbraw/zinc/73/44/12/360734412.db2.gz ACPFLPFGFGMTIU-LBPRGKRZSA-N 1 2 277.368 1.764 20 30 CDEDLO C[C@@H]1CC[C@@H](CCC(=O)N[C@](C)(C#N)C[NH+](C)C)O1 ZINC000563220519 360882625 /nfs/dbraw/zinc/88/26/25/360882625.db2.gz PTSBDSNAUICZKB-MBNYWOFBSA-N 1 2 267.373 1.294 20 30 CDEDLO Cc1ccc(NC(=O)C(=O)NCC2(CC#N)CC2)c(C)[nH+]1 ZINC000430352160 360918100 /nfs/dbraw/zinc/91/81/00/360918100.db2.gz HIHYFCPADLXFOX-UHFFFAOYSA-N 1 2 286.335 1.447 20 30 CDEDLO CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433306521 361231430 /nfs/dbraw/zinc/23/14/30/361231430.db2.gz SKJRNCIOAAXZHR-SNVBAGLBSA-N 1 2 268.361 1.091 20 30 CDEDLO CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433306521 361231435 /nfs/dbraw/zinc/23/14/35/361231435.db2.gz SKJRNCIOAAXZHR-SNVBAGLBSA-N 1 2 268.361 1.091 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000191717931 361269370 /nfs/dbraw/zinc/26/93/70/361269370.db2.gz FWSRVCWWJLOPME-SMDDNHRTSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000191717931 361269372 /nfs/dbraw/zinc/26/93/72/361269372.db2.gz FWSRVCWWJLOPME-SMDDNHRTSA-N 1 2 276.336 1.148 20 30 CDEDLO C[C@](C#N)(NC(=O)CN1CCn2cc[nH+]c2C1)C1CC1 ZINC000329314656 361476276 /nfs/dbraw/zinc/47/62/76/361476276.db2.gz HBLLZCAYCVNJLP-CQSZACIVSA-N 1 2 273.340 1.347 20 30 CDEDLO N#CCC[N@@H+](CC[C@@H]1CCNC1=O)Cc1ccco1 ZINC000562478617 361499587 /nfs/dbraw/zinc/49/95/87/361499587.db2.gz KZVVRVJNZNBOKO-LBPRGKRZSA-N 1 2 261.325 1.521 20 30 CDEDLO N#CCC[N@H+](CC[C@@H]1CCNC1=O)Cc1ccco1 ZINC000562478617 361499591 /nfs/dbraw/zinc/49/95/91/361499591.db2.gz KZVVRVJNZNBOKO-LBPRGKRZSA-N 1 2 261.325 1.521 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000520424936 361512081 /nfs/dbraw/zinc/51/20/81/361512081.db2.gz GFRPNUJWCULAQP-AWEZNQCLSA-N 1 2 270.336 1.456 20 30 CDEDLO C[C@H]([NH+]=C([O-])N1CCn2c[nH+]cc2C1)[C@H]1CCOC1 ZINC000329661715 361673324 /nfs/dbraw/zinc/67/33/24/361673324.db2.gz OOSMQGPIXAWUQB-QWRGUYRKSA-N 1 2 264.329 1.038 20 30 CDEDLO C[C@H](NC(=O)N1CCn2c[nH+]cc2C1)[C@H]1CCOC1 ZINC000329661715 361673328 /nfs/dbraw/zinc/67/33/28/361673328.db2.gz OOSMQGPIXAWUQB-QWRGUYRKSA-N 1 2 264.329 1.038 20 30 CDEDLO N#Cc1c(NCC[NH+]2CCOCC2)cccc1-n1cccn1 ZINC000580570774 363924671 /nfs/dbraw/zinc/92/46/71/363924671.db2.gz LLIMWMWMYJQTOR-UHFFFAOYSA-N 1 2 297.362 1.488 20 30 CDEDLO N#Cc1ccc(C[N@H+](CCCO)Cc2ccccn2)nc1 ZINC000581318134 363979101 /nfs/dbraw/zinc/97/91/01/363979101.db2.gz BIAAZQRGUVFSNI-UHFFFAOYSA-N 1 2 282.347 1.733 20 30 CDEDLO N#Cc1ccc(C[N@@H+](CCCO)Cc2ccccn2)nc1 ZINC000581318134 363979103 /nfs/dbraw/zinc/97/91/03/363979103.db2.gz BIAAZQRGUVFSNI-UHFFFAOYSA-N 1 2 282.347 1.733 20 30 CDEDLO CC1(C)C[C@]1(C#N)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000570901833 364098603 /nfs/dbraw/zinc/09/86/03/364098603.db2.gz UBWNLAPHTQZKPH-LKFCYVNXSA-N 1 2 258.325 1.638 20 30 CDEDLO CC1(C)C[C@]1(C#N)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000570901833 364098609 /nfs/dbraw/zinc/09/86/09/364098609.db2.gz UBWNLAPHTQZKPH-LKFCYVNXSA-N 1 2 258.325 1.638 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cccc(C(=O)OC)n1 ZINC000566428800 370718110 /nfs/dbraw/zinc/71/81/10/370718110.db2.gz KQHZZCDPTMNYDK-JTQLQIEISA-N 1 2 290.323 1.089 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496712599 366849010 /nfs/dbraw/zinc/84/90/10/366849010.db2.gz MZBHXMLCMKTFOZ-VXGBXAGGSA-N 1 2 285.388 1.448 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496712599 366849015 /nfs/dbraw/zinc/84/90/15/366849015.db2.gz MZBHXMLCMKTFOZ-VXGBXAGGSA-N 1 2 285.388 1.448 20 30 CDEDLO C[C@@H]1CCN(C(=O)c2cnn(C)c2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000356428901 364841268 /nfs/dbraw/zinc/84/12/68/364841268.db2.gz KXBYHJAXZBQQBJ-RISCZKNCSA-N 1 2 298.350 1.212 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@H](OC)c2ccccc2)nn1 ZINC000641129389 365090925 /nfs/dbraw/zinc/09/09/25/365090925.db2.gz MNSFXDFXUAATRV-INIZCTEOSA-N 1 2 284.363 1.779 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2c(C)cc(C)nc2OC)nn1 ZINC000641120806 365079539 /nfs/dbraw/zinc/07/95/39/365079539.db2.gz IZXLZZJXOZZGDY-UHFFFAOYSA-N 1 2 299.378 1.460 20 30 CDEDLO Cc1ncsc1C[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000526055491 365278699 /nfs/dbraw/zinc/27/86/99/365278699.db2.gz MMRQQUXHGXCWED-LLVKDONJSA-N 1 2 292.408 1.834 20 30 CDEDLO Cc1ncsc1C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000526055491 365278702 /nfs/dbraw/zinc/27/87/02/365278702.db2.gz MMRQQUXHGXCWED-LLVKDONJSA-N 1 2 292.408 1.834 20 30 CDEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000270900480 366941459 /nfs/dbraw/zinc/94/14/59/366941459.db2.gz QZKLEMSWKROXPR-OLZOCXBDSA-N 1 2 287.363 1.144 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@H+](CCC(C)(C)C#N)[C@H]1C(=O)OC ZINC000345765312 291359911 /nfs/dbraw/zinc/35/99/11/291359911.db2.gz WVQYNHIVMBCPBL-VXGBXAGGSA-N 1 2 296.367 1.353 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)[C@H]1C(=O)OC ZINC000345765312 291359914 /nfs/dbraw/zinc/35/99/14/291359914.db2.gz WVQYNHIVMBCPBL-VXGBXAGGSA-N 1 2 296.367 1.353 20 30 CDEDLO C[C@H](c1cnccn1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000274274114 367021912 /nfs/dbraw/zinc/02/19/12/367021912.db2.gz RWQIFMPPRJYYIS-CYBMUJFWSA-N 1 2 294.362 1.626 20 30 CDEDLO C#CC[NH+]1CCN(Cn2nc(C3CC3)sc2=S)CC1 ZINC000173881983 367048808 /nfs/dbraw/zinc/04/88/08/367048808.db2.gz MZICGKGAEWADEG-UHFFFAOYSA-N 1 2 294.449 1.760 20 30 CDEDLO CC(C)N1CC[N@H+](CCOc2ccccc2C#N)CC1=O ZINC000272471929 367739478 /nfs/dbraw/zinc/73/94/78/367739478.db2.gz ABXQDGSTORHYQA-UHFFFAOYSA-N 1 2 287.363 1.490 20 30 CDEDLO CC(C)N1CC[N@@H+](CCOc2ccccc2C#N)CC1=O ZINC000272471929 367739484 /nfs/dbraw/zinc/73/94/84/367739484.db2.gz ABXQDGSTORHYQA-UHFFFAOYSA-N 1 2 287.363 1.490 20 30 CDEDLO C=C[C@@H](CO)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000358546533 367765275 /nfs/dbraw/zinc/76/52/75/367765275.db2.gz QDZTWBHAWBDASS-ZDUSSCGKSA-N 1 2 286.335 1.218 20 30 CDEDLO CC(C)(C#N)CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000358625342 367825052 /nfs/dbraw/zinc/82/50/52/367825052.db2.gz HZHXPTOPEGTYNC-UHFFFAOYSA-N 1 2 287.367 1.463 20 30 CDEDLO C=CCC[C@@H](NCc1[nH+]ccn1CC)C(=O)OCC ZINC000574268472 335005074 /nfs/dbraw/zinc/00/50/74/335005074.db2.gz WAWDAIZKAYBYTL-GFCCVEGCSA-N 1 2 265.357 1.891 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCc1cc(F)cc(F)c1 ZINC000076185286 369505332 /nfs/dbraw/zinc/50/53/32/369505332.db2.gz YDHZTKSXVSNMOV-UHFFFAOYSA-N 1 2 276.286 1.149 20 30 CDEDLO Cc1sccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000568752459 371230715 /nfs/dbraw/zinc/23/07/15/371230715.db2.gz DDZALKNRBWLIFL-GFCCVEGCSA-N 1 2 251.355 1.630 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccccc1Cl ZINC000569059277 371235152 /nfs/dbraw/zinc/23/51/52/371235152.db2.gz UXFIFGDCDQVAPY-AWEZNQCLSA-N 1 2 279.771 1.843 20 30 CDEDLO COc1ccc([C@@H](NC(=O)CC#N)c2[nH+]ccn2C)cc1 ZINC000169812878 372092375 /nfs/dbraw/zinc/09/23/75/372092375.db2.gz YDVPWROFSOTAJE-CQSZACIVSA-N 1 2 284.319 1.548 20 30 CDEDLO C[C@@H](C#N)CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000182488189 372602715 /nfs/dbraw/zinc/60/27/15/372602715.db2.gz SXPXHVDUGJXCOX-LBPRGKRZSA-N 1 2 287.367 1.641 20 30 CDEDLO COCC[N@@H+]1CCN(C(=O)c2cc(C#N)cs2)C[C@H]1C ZINC000177487700 372868636 /nfs/dbraw/zinc/86/86/36/372868636.db2.gz OVEBMJWLFWBACF-LLVKDONJSA-N 1 2 293.392 1.412 20 30 CDEDLO COCC[N@H+]1CCN(C(=O)c2cc(C#N)cs2)C[C@H]1C ZINC000177487700 372868641 /nfs/dbraw/zinc/86/86/41/372868641.db2.gz OVEBMJWLFWBACF-LLVKDONJSA-N 1 2 293.392 1.412 20 30 CDEDLO Cc1noc([C@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)n1 ZINC000348109246 372998917 /nfs/dbraw/zinc/99/89/17/372998917.db2.gz KSGPCSVLLMPXDT-VIFPVBQESA-N 1 2 285.307 1.539 20 30 CDEDLO CN1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1=O ZINC000191115294 373450986 /nfs/dbraw/zinc/45/09/86/373450986.db2.gz XOMITSCFSLIXAT-UHFFFAOYSA-N 1 2 261.300 1.361 20 30 CDEDLO CN1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1=O ZINC000191115294 373450998 /nfs/dbraw/zinc/45/09/98/373450998.db2.gz XOMITSCFSLIXAT-UHFFFAOYSA-N 1 2 261.300 1.361 20 30 CDEDLO N#CCC1CCN(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000540990604 412813783 /nfs/dbraw/zinc/81/37/83/412813783.db2.gz OZBBEVCZYXPNIM-UHFFFAOYSA-N 1 2 289.383 1.999 20 30 CDEDLO Cn1cc(C[N@@H+]2CCc3ncsc3C2)cc1C#N ZINC000361610595 374046789 /nfs/dbraw/zinc/04/67/89/374046789.db2.gz NEEUXDIWVXQJGM-UHFFFAOYSA-N 1 2 258.350 1.912 20 30 CDEDLO Cn1cc(C[N@H+]2CCc3ncsc3C2)cc1C#N ZINC000361610595 374046794 /nfs/dbraw/zinc/04/67/94/374046794.db2.gz NEEUXDIWVXQJGM-UHFFFAOYSA-N 1 2 258.350 1.912 20 30 CDEDLO Cn1cc([C@H](CO)[NH2+]Cc2cc(C#N)ccc2F)cn1 ZINC000274126035 374131743 /nfs/dbraw/zinc/13/17/43/374131743.db2.gz VRPPIAPTUDNMFD-AWEZNQCLSA-N 1 2 274.299 1.254 20 30 CDEDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000112671605 374225850 /nfs/dbraw/zinc/22/58/50/374225850.db2.gz YVIRONQBIJUWEQ-LLVKDONJSA-N 1 2 262.284 1.692 20 30 CDEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000112671605 374225857 /nfs/dbraw/zinc/22/58/57/374225857.db2.gz YVIRONQBIJUWEQ-LLVKDONJSA-N 1 2 262.284 1.692 20 30 CDEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000368889239 374335357 /nfs/dbraw/zinc/33/53/57/374335357.db2.gz PWGGDHWLBLFBLB-AWEZNQCLSA-N 1 2 296.334 1.035 20 30 CDEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000368889239 374335365 /nfs/dbraw/zinc/33/53/65/374335365.db2.gz PWGGDHWLBLFBLB-AWEZNQCLSA-N 1 2 296.334 1.035 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC000449527916 374817917 /nfs/dbraw/zinc/81/79/17/374817917.db2.gz LXCFNCHBLFWXEQ-HNNXBMFYSA-N 1 2 292.404 1.957 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC000449527916 374817921 /nfs/dbraw/zinc/81/79/21/374817921.db2.gz LXCFNCHBLFWXEQ-HNNXBMFYSA-N 1 2 292.404 1.957 20 30 CDEDLO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000449529671 374819106 /nfs/dbraw/zinc/81/91/06/374819106.db2.gz YWSYXVJZQPLCDT-OAHLLOKOSA-N 1 2 292.404 1.957 20 30 CDEDLO CS(=O)(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000449529671 374819113 /nfs/dbraw/zinc/81/91/13/374819113.db2.gz YWSYXVJZQPLCDT-OAHLLOKOSA-N 1 2 292.404 1.957 20 30 CDEDLO C[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)CC[S@@](=O)C1 ZINC000277435572 374788093 /nfs/dbraw/zinc/78/80/93/374788093.db2.gz KYDOOCOHTBOWDS-ZUOKHONESA-N 1 2 292.404 1.637 20 30 CDEDLO C[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)CC[S@@](=O)C1 ZINC000277435572 374788094 /nfs/dbraw/zinc/78/80/94/374788094.db2.gz KYDOOCOHTBOWDS-ZUOKHONESA-N 1 2 292.404 1.637 20 30 CDEDLO C[C@H](C(=O)N(C)c1cccc(C#N)c1)[NH+]1CCSCC1 ZINC000125082123 374921753 /nfs/dbraw/zinc/92/17/53/374921753.db2.gz FJTVOKMXYQOMJY-GFCCVEGCSA-N 1 2 289.404 1.958 20 30 CDEDLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(C#N)s1)CCO2 ZINC000279646714 374941468 /nfs/dbraw/zinc/94/14/68/374941468.db2.gz JWZNPUOVHUPHTK-RISCZKNCSA-N 1 2 278.377 2.000 20 30 CDEDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(C#N)s1)CCO2 ZINC000279646714 374941473 /nfs/dbraw/zinc/94/14/73/374941473.db2.gz JWZNPUOVHUPHTK-RISCZKNCSA-N 1 2 278.377 2.000 20 30 CDEDLO COC(=O)C[N@H+](Cc1ccnc(C#N)c1)C1CCCC1 ZINC000161899324 375208967 /nfs/dbraw/zinc/20/89/67/375208967.db2.gz YMRJOHRIMQCEOZ-UHFFFAOYSA-N 1 2 273.336 1.871 20 30 CDEDLO COC(=O)C[N@@H+](Cc1ccnc(C#N)c1)C1CCCC1 ZINC000161899324 375208973 /nfs/dbraw/zinc/20/89/73/375208973.db2.gz YMRJOHRIMQCEOZ-UHFFFAOYSA-N 1 2 273.336 1.871 20 30 CDEDLO CC[N@@H+](Cc1cc(=O)n2ccsc2n1)C[C@@H](C)C#N ZINC000049000631 375390664 /nfs/dbraw/zinc/39/06/64/375390664.db2.gz MSCLNQULZMJHQP-JTQLQIEISA-N 1 2 276.365 1.738 20 30 CDEDLO CC[N@H+](Cc1cc(=O)n2ccsc2n1)C[C@@H](C)C#N ZINC000049000631 375390666 /nfs/dbraw/zinc/39/06/66/375390666.db2.gz MSCLNQULZMJHQP-JTQLQIEISA-N 1 2 276.365 1.738 20 30 CDEDLO C[C@@H]1CCCN(C(=O)C2CC[NH+](CCC#N)CC2)C1 ZINC000049752135 375461183 /nfs/dbraw/zinc/46/11/83/375461183.db2.gz ZTJXBSMAEQPNCE-CYBMUJFWSA-N 1 2 263.385 1.871 20 30 CDEDLO C=C(Cl)CN1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000359868611 375474869 /nfs/dbraw/zinc/47/48/69/375474869.db2.gz KLXUYPUKFZJJBX-UHFFFAOYSA-N 1 2 271.792 1.155 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H](C)C#N ZINC000133746935 375588051 /nfs/dbraw/zinc/58/80/51/375588051.db2.gz AXNYLEPPTNZXEK-SNVBAGLBSA-N 1 2 256.309 1.763 20 30 CDEDLO C=C[C@@H](CO)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425307715 375820584 /nfs/dbraw/zinc/82/05/84/375820584.db2.gz BLHRVHYPTSWNDA-KBPBESRZSA-N 1 2 285.347 1.595 20 30 CDEDLO C[N@@H+]1CCc2ncnc(N3CCC(F)(C#N)CC3)c2C1 ZINC000343237896 375815976 /nfs/dbraw/zinc/81/59/76/375815976.db2.gz XSXYRDPPOTUVTR-UHFFFAOYSA-N 1 2 275.331 1.297 20 30 CDEDLO C[N@H+]1CCc2ncnc(N3CCC(F)(C#N)CC3)c2C1 ZINC000343237896 375815979 /nfs/dbraw/zinc/81/59/79/375815979.db2.gz XSXYRDPPOTUVTR-UHFFFAOYSA-N 1 2 275.331 1.297 20 30 CDEDLO CO[C@H]1C[NH+](Cc2cccc(F)c2C#N)C[C@@H]1OC ZINC000428959507 247387824 /nfs/dbraw/zinc/38/78/24/247387824.db2.gz GOLQDJQWAHZOCE-KBPBESRZSA-N 1 2 264.300 1.543 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2c2ncc[nH]2)C1=O ZINC000328815474 375963482 /nfs/dbraw/zinc/96/34/82/375963482.db2.gz NQGZAPIRHIOBSN-NWDGAFQWSA-N 1 2 260.341 1.334 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2c2ncc[nH]2)C1=O ZINC000328815474 375963489 /nfs/dbraw/zinc/96/34/89/375963489.db2.gz NQGZAPIRHIOBSN-NWDGAFQWSA-N 1 2 260.341 1.334 20 30 CDEDLO C=CCN1CC[C@@H](N2CCC[C@H]2c2[nH]cc[nH+]2)C1=O ZINC000328815474 375963492 /nfs/dbraw/zinc/96/34/92/375963492.db2.gz NQGZAPIRHIOBSN-NWDGAFQWSA-N 1 2 260.341 1.334 20 30 CDEDLO CNC(=O)[C@@H]1CCCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328956332 376021204 /nfs/dbraw/zinc/02/12/04/376021204.db2.gz ZGMOUWHTPFGCPK-AAEUAGOBSA-N 1 2 290.367 1.413 20 30 CDEDLO CC(C)(C)[N@H+](CC(N)=O)CC(=O)Nc1ccc(C#N)cc1 ZINC000131387889 376368485 /nfs/dbraw/zinc/36/84/85/376368485.db2.gz DDGAEVATHWINQW-UHFFFAOYSA-N 1 2 288.351 1.083 20 30 CDEDLO CC(C)(C)[N@@H+](CC(N)=O)CC(=O)Nc1ccc(C#N)cc1 ZINC000131387889 376368490 /nfs/dbraw/zinc/36/84/90/376368490.db2.gz DDGAEVATHWINQW-UHFFFAOYSA-N 1 2 288.351 1.083 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000263822375 190080777 /nfs/dbraw/zinc/08/07/77/190080777.db2.gz YPFRYSVCHMHADD-UHFFFAOYSA-N 1 2 266.291 1.909 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cccc(C#N)c1 ZINC000172022386 377235204 /nfs/dbraw/zinc/23/52/04/377235204.db2.gz AOAIHWDHERXEFV-KGLIPLIRSA-N 1 2 274.320 1.321 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cccc(C#N)c1 ZINC000172022386 377235217 /nfs/dbraw/zinc/23/52/17/377235217.db2.gz AOAIHWDHERXEFV-KGLIPLIRSA-N 1 2 274.320 1.321 20 30 CDEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1cccc(C#N)c1 ZINC000264909396 190143715 /nfs/dbraw/zinc/14/37/15/190143715.db2.gz DUNGKGXOTLNQHV-VXGBXAGGSA-N 1 2 280.393 1.812 20 30 CDEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000264909396 190143716 /nfs/dbraw/zinc/14/37/16/190143716.db2.gz DUNGKGXOTLNQHV-VXGBXAGGSA-N 1 2 280.393 1.812 20 30 CDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1CO ZINC000265473203 190184700 /nfs/dbraw/zinc/18/47/00/190184700.db2.gz JJCADHCHIOLPDZ-LBPRGKRZSA-N 1 2 293.754 1.607 20 30 CDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1CO ZINC000265473203 190184701 /nfs/dbraw/zinc/18/47/01/190184701.db2.gz JJCADHCHIOLPDZ-LBPRGKRZSA-N 1 2 293.754 1.607 20 30 CDEDLO N#Cc1ccncc1N1CCC(n2cc[nH+]c2)CC1 ZINC000269951646 377825427 /nfs/dbraw/zinc/82/54/27/377825427.db2.gz JEMBMAPWYXDITK-UHFFFAOYSA-N 1 2 253.309 1.991 20 30 CDEDLO COC[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000172876851 377787258 /nfs/dbraw/zinc/78/72/58/377787258.db2.gz NJXQVQQXSUCQMV-HNNXBMFYSA-N 1 2 276.336 1.284 20 30 CDEDLO COC[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000172876851 377787264 /nfs/dbraw/zinc/78/72/64/377787264.db2.gz NJXQVQQXSUCQMV-HNNXBMFYSA-N 1 2 276.336 1.284 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000092703342 378007584 /nfs/dbraw/zinc/00/75/84/378007584.db2.gz AVTYMFPTDWGXKU-HOTGVXAUSA-N 1 2 298.386 1.942 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000092703342 378007591 /nfs/dbraw/zinc/00/75/91/378007591.db2.gz AVTYMFPTDWGXKU-HOTGVXAUSA-N 1 2 298.386 1.942 20 30 CDEDLO COC(=O)[C@H](C)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000265993698 190221561 /nfs/dbraw/zinc/22/15/61/190221561.db2.gz KPJYSAWKIWTCGB-NSHDSACASA-N 1 2 262.309 1.430 20 30 CDEDLO COC(=O)[C@H](C)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000265993698 190221562 /nfs/dbraw/zinc/22/15/62/190221562.db2.gz KPJYSAWKIWTCGB-NSHDSACASA-N 1 2 262.309 1.430 20 30 CDEDLO Cc1nnc(SCC[N@H+]2CCOC[C@@H]2C)c(C#N)c1C ZINC000191557974 378097490 /nfs/dbraw/zinc/09/74/90/378097490.db2.gz XJJYEHGZRPQLCF-JTQLQIEISA-N 1 2 292.408 1.778 20 30 CDEDLO Cc1nnc(SCC[N@@H+]2CCOC[C@@H]2C)c(C#N)c1C ZINC000191557974 378097495 /nfs/dbraw/zinc/09/74/95/378097495.db2.gz XJJYEHGZRPQLCF-JTQLQIEISA-N 1 2 292.408 1.778 20 30 CDEDLO C#CCCCC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000192159806 378187562 /nfs/dbraw/zinc/18/75/62/378187562.db2.gz ZJVJBZFZXKOVII-ZDUSSCGKSA-N 1 2 257.337 1.580 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1OCC ZINC000192230119 378177672 /nfs/dbraw/zinc/17/76/72/378177672.db2.gz KPJFQEJJIAFWKR-LBPRGKRZSA-N 1 2 260.337 1.977 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1OCC ZINC000192230119 378177679 /nfs/dbraw/zinc/17/76/79/378177679.db2.gz KPJFQEJJIAFWKR-LBPRGKRZSA-N 1 2 260.337 1.977 20 30 CDEDLO C#CC[N@@H+](C)[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000192235891 378178238 /nfs/dbraw/zinc/17/82/38/378178238.db2.gz ZFYYNLAXKSTLEB-GFCCVEGCSA-N 1 2 264.275 1.635 20 30 CDEDLO C#CC[N@H+](C)[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000192235891 378178241 /nfs/dbraw/zinc/17/82/41/378178241.db2.gz ZFYYNLAXKSTLEB-GFCCVEGCSA-N 1 2 264.275 1.635 20 30 CDEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C ZINC000292060684 378489760 /nfs/dbraw/zinc/48/97/60/378489760.db2.gz CNLQCKZPTWWVET-RKDXNWHRSA-N 1 2 250.264 1.704 20 30 CDEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C ZINC000292060684 378489765 /nfs/dbraw/zinc/48/97/65/378489765.db2.gz CNLQCKZPTWWVET-RKDXNWHRSA-N 1 2 250.264 1.704 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000293274704 378552099 /nfs/dbraw/zinc/55/20/99/378552099.db2.gz VEAVNQDFIVZPCD-QWHCGFSZSA-N 1 2 279.384 1.346 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000293274704 378552104 /nfs/dbraw/zinc/55/21/04/378552104.db2.gz VEAVNQDFIVZPCD-QWHCGFSZSA-N 1 2 279.384 1.346 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N(C)Cc1ccccc1C ZINC000293086593 378536112 /nfs/dbraw/zinc/53/61/12/378536112.db2.gz KBDDBDZPCPENDV-UHFFFAOYSA-N 1 2 258.365 1.909 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N(C)Cc1ccccc1C ZINC000293086593 378536121 /nfs/dbraw/zinc/53/61/21/378536121.db2.gz KBDDBDZPCPENDV-UHFFFAOYSA-N 1 2 258.365 1.909 20 30 CDEDLO C#CCNC(=O)CC[NH2+]C1(C(=O)OC)CCC(CC)CC1 ZINC000293807216 378613464 /nfs/dbraw/zinc/61/34/64/378613464.db2.gz NYQLFUVABPMBRN-UHFFFAOYSA-N 1 2 294.395 1.228 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)NCC[NH+]2CCC2)cc1Cl ZINC000443727719 250050982 /nfs/dbraw/zinc/05/09/82/250050982.db2.gz CSMMADLEHCMSCM-UHFFFAOYSA-N 1 2 299.783 1.196 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N1CCc2sccc2C1 ZINC000267668521 190346159 /nfs/dbraw/zinc/34/61/59/190346159.db2.gz OBLARGPLLRWQSK-UHFFFAOYSA-N 1 2 272.373 1.201 20 30 CDEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](O)C2)C1=O ZINC000267715384 190349342 /nfs/dbraw/zinc/34/93/42/190349342.db2.gz UEXMBLRBLRTHLY-VXGBXAGGSA-N 1 2 291.376 1.182 20 30 CDEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](O)C2)C1=O ZINC000267715384 190349343 /nfs/dbraw/zinc/34/93/43/190349343.db2.gz UEXMBLRBLRTHLY-VXGBXAGGSA-N 1 2 291.376 1.182 20 30 CDEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@@H]3COCCO3)CCO2)c1 ZINC000450652194 251390265 /nfs/dbraw/zinc/39/02/65/251390265.db2.gz UOUIMYBJFDHART-HZPDHXFCSA-N 1 2 288.347 1.347 20 30 CDEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H]3COCCO3)CCO2)c1 ZINC000450652194 251390271 /nfs/dbraw/zinc/39/02/71/251390271.db2.gz UOUIMYBJFDHART-HZPDHXFCSA-N 1 2 288.347 1.347 20 30 CDEDLO CCn1cnc2c(c1=O)CC[N@H+](Cc1cccc(C#N)c1)C2 ZINC000281040130 195079798 /nfs/dbraw/zinc/07/97/98/195079798.db2.gz PYLMSHHZDBQFLL-UHFFFAOYSA-N 1 2 294.358 1.693 20 30 CDEDLO CCn1cnc2c(c1=O)CC[N@@H+](Cc1cccc(C#N)c1)C2 ZINC000281040130 195079800 /nfs/dbraw/zinc/07/98/00/195079800.db2.gz PYLMSHHZDBQFLL-UHFFFAOYSA-N 1 2 294.358 1.693 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000336488039 533109705 /nfs/dbraw/zinc/10/97/05/533109705.db2.gz VFYJLUVVJCYBLR-RYUDHWBXSA-N 1 2 260.341 1.361 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000347054725 533117675 /nfs/dbraw/zinc/11/76/75/533117675.db2.gz AADBXWXBSQIALS-GWCFXTLKSA-N 1 2 286.310 1.924 20 30 CDEDLO C=CCN1CC[C@@H]([NH2+][C@H](C)c2nnc3ccccn32)C1=O ZINC000281294451 195186014 /nfs/dbraw/zinc/18/60/14/195186014.db2.gz JKENWNAFBLBLFG-VXGBXAGGSA-N 1 2 285.351 1.167 20 30 CDEDLO CC#CCNC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000281308407 195190313 /nfs/dbraw/zinc/19/03/13/195190313.db2.gz UFMJBOKDZXFDSJ-UHFFFAOYSA-N 1 2 277.274 1.762 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccccc2C#N)C1=O ZINC000281353829 195208974 /nfs/dbraw/zinc/20/89/74/195208974.db2.gz UHQYHTIIPAVQRX-OAHLLOKOSA-N 1 2 269.348 1.777 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2C#N)C1=O ZINC000281353829 195208976 /nfs/dbraw/zinc/20/89/76/195208976.db2.gz UHQYHTIIPAVQRX-OAHLLOKOSA-N 1 2 269.348 1.777 20 30 CDEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000298661934 390414290 /nfs/dbraw/zinc/41/42/90/390414290.db2.gz YAIWDYGEHOHQJY-CYBMUJFWSA-N 1 2 299.374 1.499 20 30 CDEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000298661934 390414294 /nfs/dbraw/zinc/41/42/94/390414294.db2.gz YAIWDYGEHOHQJY-CYBMUJFWSA-N 1 2 299.374 1.499 20 30 CDEDLO C[C@H](C#N)CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000525693599 390939658 /nfs/dbraw/zinc/93/96/58/390939658.db2.gz BTVIKZSIILJFHH-CYBMUJFWSA-N 1 2 287.363 1.408 20 30 CDEDLO C[N@H+](CCS(C)(=O)=O)Cc1ccccc1C(C)(C)C#N ZINC000135182351 390939802 /nfs/dbraw/zinc/93/98/02/390939802.db2.gz OHZFZFHXQXHKSW-UHFFFAOYSA-N 1 2 294.420 1.964 20 30 CDEDLO C[N@@H+](CCS(C)(=O)=O)Cc1ccccc1C(C)(C)C#N ZINC000135182351 390939803 /nfs/dbraw/zinc/93/98/03/390939803.db2.gz OHZFZFHXQXHKSW-UHFFFAOYSA-N 1 2 294.420 1.964 20 30 CDEDLO CC[C@H](C)c1ccc(NC(=O)CO[NH+]=C(N)CCO)cc1 ZINC000136063821 390940964 /nfs/dbraw/zinc/94/09/64/390940964.db2.gz XRQUFFUUGSOLEN-NSHDSACASA-N 1 2 293.367 1.810 20 30 CDEDLO C=CCn1cc(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)nn1 ZINC000648411097 390994823 /nfs/dbraw/zinc/99/48/23/390994823.db2.gz WANFTYDJDAJGBS-UWVGGRQHSA-N 1 2 272.312 1.096 20 30 CDEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCC1)C1CCOCC1 ZINC000329515234 391002419 /nfs/dbraw/zinc/00/24/19/391002419.db2.gz YKSYLMVMOQKIKX-CYBMUJFWSA-N 1 2 292.383 1.990 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000352432760 391135642 /nfs/dbraw/zinc/13/56/42/391135642.db2.gz NDHCURNMONVNHE-IJEWVQPXSA-N 1 2 298.427 1.441 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N1CCC(F)(C#N)CC1 ZINC000352442329 391140507 /nfs/dbraw/zinc/14/05/07/391140507.db2.gz OIUUTGHVFJOABC-GFCCVEGCSA-N 1 2 255.337 1.035 20 30 CDEDLO C[C@H]1CCC[C@](C#N)(NC(=O)CCn2cc[nH+]c2)C1 ZINC000265319564 391153965 /nfs/dbraw/zinc/15/39/65/391153965.db2.gz DDWJUVIWEGUYST-JSGCOSHPSA-N 1 2 260.341 1.862 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352484789 391155366 /nfs/dbraw/zinc/15/53/66/391155366.db2.gz UAETZWOMBZJLGI-GFCCVEGCSA-N 1 2 280.347 1.322 20 30 CDEDLO Cc1cc(CO[NH+]=C(N)[C@H](C)OCC(C)C)on1 ZINC000266212849 391171845 /nfs/dbraw/zinc/17/18/45/391171845.db2.gz OSSRYADDDYIMLB-JTQLQIEISA-N 1 2 255.318 1.833 20 30 CDEDLO CC#CCCCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376172369 391216627 /nfs/dbraw/zinc/21/66/27/391216627.db2.gz LBKWAHHGOGZRIU-HUUCEWRRSA-N 1 2 278.396 1.502 20 30 CDEDLO C=CCOCC[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000339093812 391252444 /nfs/dbraw/zinc/25/24/44/391252444.db2.gz KCSCRUBCZWRHMP-UHFFFAOYSA-N 1 2 260.337 1.538 20 30 CDEDLO C=CCOCC[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000339093812 391252449 /nfs/dbraw/zinc/25/24/49/391252449.db2.gz KCSCRUBCZWRHMP-UHFFFAOYSA-N 1 2 260.337 1.538 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)Cc1cccc(OCC#N)c1 ZINC000270515269 391275978 /nfs/dbraw/zinc/27/59/78/391275978.db2.gz QPEGGANADLYDAG-UHFFFAOYSA-N 1 2 284.319 1.479 20 30 CDEDLO C#CCOCCNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000302129363 391294675 /nfs/dbraw/zinc/29/46/75/391294675.db2.gz GINNSOCCAFPCQL-UHFFFAOYSA-N 1 2 263.345 1.123 20 30 CDEDLO C#CCOCCNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000302129363 391294679 /nfs/dbraw/zinc/29/46/79/391294679.db2.gz GINNSOCCAFPCQL-UHFFFAOYSA-N 1 2 263.345 1.123 20 30 CDEDLO N#C[C@@H]1CSCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000271734926 391302704 /nfs/dbraw/zinc/30/27/04/391302704.db2.gz NQQLQTQZQWLIOJ-GFCCVEGCSA-N 1 2 299.359 1.348 20 30 CDEDLO COC(=O)[C@H]1[C@@H](C(=O)OC)CCC[N@@H+]1CCC(C)(C)C#N ZINC000345765310 391311834 /nfs/dbraw/zinc/31/18/34/391311834.db2.gz WVQYNHIVMBCPBL-NWDGAFQWSA-N 1 2 296.367 1.353 20 30 CDEDLO COC(=O)[C@H]1[C@@H](C(=O)OC)CCC[N@H+]1CCC(C)(C)C#N ZINC000345765310 391311837 /nfs/dbraw/zinc/31/18/37/391311837.db2.gz WVQYNHIVMBCPBL-NWDGAFQWSA-N 1 2 296.367 1.353 20 30 CDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)CC(=O)OC ZINC000339830479 391387357 /nfs/dbraw/zinc/38/73/57/391387357.db2.gz NNXDUHPLDVLROH-CQSZACIVSA-N 1 2 293.363 1.260 20 30 CDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)CC(=O)OC ZINC000339830479 391387361 /nfs/dbraw/zinc/38/73/61/391387361.db2.gz NNXDUHPLDVLROH-CQSZACIVSA-N 1 2 293.363 1.260 20 30 CDEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N(CC)C[C@H](C)C#N ZINC000330447386 391433924 /nfs/dbraw/zinc/43/39/24/391433924.db2.gz GBSVUMYITAPOMR-MGPQQGTHSA-N 1 2 281.400 1.494 20 30 CDEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N(CC)C[C@H](C)C#N ZINC000330447386 391433927 /nfs/dbraw/zinc/43/39/27/391433927.db2.gz GBSVUMYITAPOMR-MGPQQGTHSA-N 1 2 281.400 1.494 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000355347330 391451119 /nfs/dbraw/zinc/45/11/19/391451119.db2.gz MLUFPIOKJPQTRN-SWLSCSKDSA-N 1 2 277.368 1.512 20 30 CDEDLO Cc1occc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330623724 391461425 /nfs/dbraw/zinc/46/14/25/391461425.db2.gz QCCOLEAHJDTQDX-SNVBAGLBSA-N 1 2 252.314 1.613 20 30 CDEDLO Cc1occc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330623724 391461426 /nfs/dbraw/zinc/46/14/26/391461426.db2.gz QCCOLEAHJDTQDX-SNVBAGLBSA-N 1 2 252.314 1.613 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)C[C@@H](C)O1 ZINC000439289714 391576197 /nfs/dbraw/zinc/57/61/97/391576197.db2.gz ONDBKZOVJSMIHA-RISCZKNCSA-N 1 2 278.327 1.933 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)C[C@@H](C)O1 ZINC000439289714 391576200 /nfs/dbraw/zinc/57/62/00/391576200.db2.gz ONDBKZOVJSMIHA-RISCZKNCSA-N 1 2 278.327 1.933 20 30 CDEDLO CN(CC#N)C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000360277653 391652391 /nfs/dbraw/zinc/65/23/91/391652391.db2.gz BMMLDAQSMFLEDA-LBPRGKRZSA-N 1 2 258.325 1.280 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2c2nc(C)no2)C1=O ZINC000285488142 391717235 /nfs/dbraw/zinc/71/72/35/391717235.db2.gz BYPSURHFWXTXLA-VXGBXAGGSA-N 1 2 276.340 1.302 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2c2nc(C)no2)C1=O ZINC000285488142 391717238 /nfs/dbraw/zinc/71/72/38/391717238.db2.gz BYPSURHFWXTXLA-VXGBXAGGSA-N 1 2 276.340 1.302 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000281237193 391660047 /nfs/dbraw/zinc/66/00/47/391660047.db2.gz LLMSNZCTXRMYHB-CQSZACIVSA-N 1 2 289.335 1.814 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000281237193 391660050 /nfs/dbraw/zinc/66/00/50/391660050.db2.gz LLMSNZCTXRMYHB-CQSZACIVSA-N 1 2 289.335 1.814 20 30 CDEDLO CC#CCC[N@@H+]1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000360630646 391666771 /nfs/dbraw/zinc/66/67/71/391666771.db2.gz XIBKGERSRJKTDD-HNNXBMFYSA-N 1 2 256.349 1.443 20 30 CDEDLO CC#CCC[N@H+]1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000360630646 391666776 /nfs/dbraw/zinc/66/67/76/391666776.db2.gz XIBKGERSRJKTDD-HNNXBMFYSA-N 1 2 256.349 1.443 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000320462630 391722737 /nfs/dbraw/zinc/72/27/37/391722737.db2.gz LMFPXZQWWRSNDS-LBPRGKRZSA-N 1 2 273.336 1.320 20 30 CDEDLO N#CCNC(=O)C[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000362480478 391726248 /nfs/dbraw/zinc/72/62/48/391726248.db2.gz AASCVDLSAPQYHY-UHFFFAOYSA-N 1 2 287.338 1.945 20 30 CDEDLO C=CC(C)(C)CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413596417 391777880 /nfs/dbraw/zinc/77/78/80/391777880.db2.gz UIOAZKKXJGPKMF-UHFFFAOYSA-N 1 2 283.416 1.609 20 30 CDEDLO C[C@]1([NH+]=C([O-])N[C@H]2CCc3[nH]c[nH+]c3C2)CCCOC1 ZINC000329748685 391769920 /nfs/dbraw/zinc/76/99/20/391769920.db2.gz TVUUGHPRJQZUQQ-HZMBPMFUSA-N 1 2 278.356 1.340 20 30 CDEDLO C[C@]1([NH+]=C([O-])N[C@H]2CCc3[nH+]c[nH]c3C2)CCCOC1 ZINC000329748685 391769923 /nfs/dbraw/zinc/76/99/23/391769923.db2.gz TVUUGHPRJQZUQQ-HZMBPMFUSA-N 1 2 278.356 1.340 20 30 CDEDLO NC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@@H]2C[NH+]3CCN2CC3)C1 ZINC000329885572 391795104 /nfs/dbraw/zinc/79/51/04/391795104.db2.gz UVQGDBIARYVBFF-FRRDWIJNSA-N 1 2 294.399 1.284 20 30 CDEDLO CCN1CCC[N@H+](CC(=O)NC2CCCCC2)CC1=O ZINC000329958252 391806316 /nfs/dbraw/zinc/80/63/16/391806316.db2.gz PWCVFRUBVCEWOR-UHFFFAOYSA-N 1 2 281.400 1.830 20 30 CDEDLO CCN1CCC[N@@H+](CC(=O)NC2CCCCC2)CC1=O ZINC000329958252 391806317 /nfs/dbraw/zinc/80/63/17/391806317.db2.gz PWCVFRUBVCEWOR-UHFFFAOYSA-N 1 2 281.400 1.830 20 30 CDEDLO N#C[C@H]1CSCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000334418424 392136293 /nfs/dbraw/zinc/13/62/93/392136293.db2.gz YOYCVSNTHRKEDU-AWEZNQCLSA-N 1 2 298.371 1.953 20 30 CDEDLO N#Cc1ccc2ncc(C[N@@H+]3CC[C@]34CCOC4)n2c1 ZINC000421395572 392935123 /nfs/dbraw/zinc/93/51/23/392935123.db2.gz AIMAPMTVCRSGOD-OAHLLOKOSA-N 1 2 268.320 1.571 20 30 CDEDLO N#Cc1ccc2ncc(C[N@H+]3CC[C@]34CCOC4)n2c1 ZINC000421395572 392935124 /nfs/dbraw/zinc/93/51/24/392935124.db2.gz AIMAPMTVCRSGOD-OAHLLOKOSA-N 1 2 268.320 1.571 20 30 CDEDLO COC(=O)[C@@H]1CCN(c2cc(C)[nH+]cc2C#N)[C@H]1C ZINC000425256064 393007194 /nfs/dbraw/zinc/00/71/94/393007194.db2.gz OIFXAKWNJFUIHB-CMPLNLGQSA-N 1 2 259.309 1.650 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNc2cc(C)ncc2C#N)CCO1 ZINC000425257719 393007280 /nfs/dbraw/zinc/00/72/80/393007280.db2.gz JFPFWWSNLQJWIE-CQSZACIVSA-N 1 2 274.368 1.206 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNc2cc(C)ncc2C#N)CCO1 ZINC000425257719 393007282 /nfs/dbraw/zinc/00/72/82/393007282.db2.gz JFPFWWSNLQJWIE-CQSZACIVSA-N 1 2 274.368 1.206 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Cc2ccc(C#N)cc2)C1 ZINC000534411445 393097580 /nfs/dbraw/zinc/09/75/80/393097580.db2.gz RYSHRLJYAGIKNJ-OAHLLOKOSA-N 1 2 294.358 1.850 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3ccc(F)cc3C#N)C[C@H]21 ZINC000431117728 393106828 /nfs/dbraw/zinc/10/68/28/393106828.db2.gz BSPUIQKPJPMFBX-CABCVRRESA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3ccc(F)cc3C#N)C[C@H]21 ZINC000431117728 393106838 /nfs/dbraw/zinc/10/68/38/393106838.db2.gz BSPUIQKPJPMFBX-CABCVRRESA-N 1 2 275.327 1.212 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000136172020 393317394 /nfs/dbraw/zinc/31/73/94/393317394.db2.gz NOPUNUVIXXFETA-HNNXBMFYSA-N 1 2 272.352 1.670 20 30 CDEDLO N#Cc1ccc(F)cc1CN1CCn2cc[nH+]c2C1 ZINC000229958523 140204837 /nfs/dbraw/zinc/20/48/37/140204837.db2.gz QUJONNRTIYHKCJ-UHFFFAOYSA-N 1 2 256.284 1.910 20 30 CDEDLO Cn1cc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)cc1C#N ZINC000334861093 150003647 /nfs/dbraw/zinc/00/36/47/150003647.db2.gz BMYSHBJJWXYYDU-OAHLLOKOSA-N 1 2 259.353 1.898 20 30 CDEDLO Cn1cc(C[N@H+]2CCO[C@@H](C3CCC3)C2)cc1C#N ZINC000334861093 150003648 /nfs/dbraw/zinc/00/36/48/150003648.db2.gz BMYSHBJJWXYYDU-OAHLLOKOSA-N 1 2 259.353 1.898 20 30 CDEDLO C[C@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H](C)S1=O ZINC000336089622 151259482 /nfs/dbraw/zinc/25/94/82/151259482.db2.gz DORLPUCLBSGHKU-RYUDHWBXSA-N 1 2 262.378 1.900 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNc2nc(C)ccc2C#N)CCO1 ZINC000343098819 152031073 /nfs/dbraw/zinc/03/10/73/152031073.db2.gz LJFZAFKEMSESGW-CQSZACIVSA-N 1 2 274.368 1.784 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNc2nc(C)ccc2C#N)CCO1 ZINC000343098819 152031078 /nfs/dbraw/zinc/03/10/78/152031078.db2.gz LJFZAFKEMSESGW-CQSZACIVSA-N 1 2 274.368 1.784 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNc2nccc(C#N)c2Cl)CCO1 ZINC000343110825 152035368 /nfs/dbraw/zinc/03/53/68/152035368.db2.gz UHQNAQKDVLCSLB-GFCCVEGCSA-N 1 2 294.786 1.551 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNc2nccc(C#N)c2Cl)CCO1 ZINC000343110825 152035372 /nfs/dbraw/zinc/03/53/72/152035372.db2.gz UHQNAQKDVLCSLB-GFCCVEGCSA-N 1 2 294.786 1.551 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3ccno3)CC2)cn1 ZINC000374639917 160303104 /nfs/dbraw/zinc/30/31/04/160303104.db2.gz YKKOTHVJCRTCFH-UHFFFAOYSA-N 1 2 269.308 1.263 20 30 CDEDLO C[C@H](O)c1cn(C2C[NH+](Cc3cccc(C#N)c3)C2)nn1 ZINC000374807071 160317560 /nfs/dbraw/zinc/31/75/60/160317560.db2.gz ONFGRTQSANIDDP-NSHDSACASA-N 1 2 283.335 1.260 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccn3)n2CC)CC1 ZINC000284410522 196049029 /nfs/dbraw/zinc/04/90/29/196049029.db2.gz NWFVSBYBDKHYHR-UHFFFAOYSA-N 1 2 296.378 1.115 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000664809685 413665547 /nfs/dbraw/zinc/66/55/47/413665547.db2.gz JNDGZJZTQNXVND-RDBSUJKOSA-N 1 2 283.416 1.750 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000664809685 413665555 /nfs/dbraw/zinc/66/55/55/413665555.db2.gz JNDGZJZTQNXVND-RDBSUJKOSA-N 1 2 283.416 1.750 20 30 CDEDLO C=CCCS(=O)(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000657069963 413892902 /nfs/dbraw/zinc/89/29/02/413892902.db2.gz AEPRMISOMOCUOW-UHFFFAOYSA-N 1 2 295.408 1.677 20 30 CDEDLO COC(=O)[C@@H]([NH2+]CCOc1cccc(C#N)c1)C(C)C ZINC000547299167 289762189 /nfs/dbraw/zinc/76/21/89/289762189.db2.gz VEGPRPZDDWXSGK-AWEZNQCLSA-N 1 2 276.336 1.724 20 30 CDEDLO COC[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1ccco1 ZINC000347196271 226081972 /nfs/dbraw/zinc/08/19/72/226081972.db2.gz ADSVQLRCHJRLPW-NSHDSACASA-N 1 2 277.324 1.119 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N[C@@]1(C)CCCOC1 ZINC000330018924 228017994 /nfs/dbraw/zinc/01/79/94/228017994.db2.gz UHICCWFYVBIFAY-ZDUSSCGKSA-N 1 2 251.330 1.878 20 30 CDEDLO CC[C@@H](C)NC(=O)CO[NH+]=C(N)c1cccc(Cl)c1 ZINC000048376230 260199098 /nfs/dbraw/zinc/19/90/98/260199098.db2.gz UCZJVYZFHXTJFT-SECBINFHSA-N 1 2 283.759 1.892 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCC(=O)NC(C)C)ccc1F ZINC000049066035 260203193 /nfs/dbraw/zinc/20/31/93/260203193.db2.gz DEKUFXBNGJNMSH-UHFFFAOYSA-N 1 2 267.304 1.296 20 30 CDEDLO CC[C@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)C[C@@H](C)O1 ZINC000408127695 260267126 /nfs/dbraw/zinc/26/71/26/260267126.db2.gz FUSHNGVZZRNRRN-KGLIPLIRSA-N 1 2 293.411 1.828 20 30 CDEDLO CC[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C[C@@H](C)O1 ZINC000408127695 260267127 /nfs/dbraw/zinc/26/71/27/260267127.db2.gz FUSHNGVZZRNRRN-KGLIPLIRSA-N 1 2 293.411 1.828 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccc(F)c1 ZINC000078686918 260301949 /nfs/dbraw/zinc/30/19/49/260301949.db2.gz PCAGWASEZRCGAZ-UHFFFAOYSA-N 1 2 291.370 1.874 20 30 CDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccc(F)cc1F ZINC000084915094 260369064 /nfs/dbraw/zinc/36/90/64/260369064.db2.gz GMWOWMRWNSMOHP-UHFFFAOYSA-N 1 2 285.294 1.668 20 30 CDEDLO CC(C)(C#N)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000153017341 261072371 /nfs/dbraw/zinc/07/23/71/261072371.db2.gz JRMLQMUHILQXRS-NSHDSACASA-N 1 2 258.325 1.326 20 30 CDEDLO C#CCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000491096274 261326060 /nfs/dbraw/zinc/32/60/60/261326060.db2.gz QVBXJOAVYXPAJQ-ZDUSSCGKSA-N 1 2 253.305 1.681 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCOCCOc1ccccc1 ZINC000491790420 262056192 /nfs/dbraw/zinc/05/61/92/262056192.db2.gz ZENPQQTZGTVTOO-OAHLLOKOSA-N 1 2 275.348 1.416 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCOCCOc1ccccc1 ZINC000491790420 262056194 /nfs/dbraw/zinc/05/61/94/262056194.db2.gz ZENPQQTZGTVTOO-OAHLLOKOSA-N 1 2 275.348 1.416 20 30 CDEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000189039800 262165964 /nfs/dbraw/zinc/16/59/64/262165964.db2.gz XFTMFPSKNJAOFC-RISCZKNCSA-N 1 2 260.341 1.931 20 30 CDEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000189039800 262165966 /nfs/dbraw/zinc/16/59/66/262165966.db2.gz XFTMFPSKNJAOFC-RISCZKNCSA-N 1 2 260.341 1.931 20 30 CDEDLO O=C(NCC[NH+]1CCCCC1)[C@@H]1CCCCS1(=O)=O ZINC000329371286 262267601 /nfs/dbraw/zinc/26/76/01/262267601.db2.gz AWYZXQCWDWKRBM-LBPRGKRZSA-N 1 2 288.413 1.396 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc2c(c1)CCC2=O ZINC000414128201 262807352 /nfs/dbraw/zinc/80/73/52/262807352.db2.gz RSDJGQNHNHREFX-ZDUSSCGKSA-N 1 2 288.347 1.401 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc2c(c1)CCC2=O ZINC000414128201 262807353 /nfs/dbraw/zinc/80/73/53/262807353.db2.gz RSDJGQNHNHREFX-ZDUSSCGKSA-N 1 2 288.347 1.401 20 30 CDEDLO CCOCCO[NH+]=C(N)COc1cccc(C(=O)OC)c1 ZINC000272877643 263009456 /nfs/dbraw/zinc/00/94/56/263009456.db2.gz GAYWCNRZGWEJMQ-UHFFFAOYSA-N 1 2 296.323 1.177 20 30 CDEDLO C[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CC[S@](=O)C1 ZINC000277578289 263042064 /nfs/dbraw/zinc/04/20/64/263042064.db2.gz VPLOANLPZNGUIP-RBZFPXEDSA-N 1 2 292.404 1.789 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CC[S@](=O)C1 ZINC000277578289 263042065 /nfs/dbraw/zinc/04/20/65/263042065.db2.gz VPLOANLPZNGUIP-RBZFPXEDSA-N 1 2 292.404 1.789 20 30 CDEDLO CC1(C)CCCN(C(=O)CCn2cc[nH+]c2)[C@@H]1C#N ZINC000277988234 263044936 /nfs/dbraw/zinc/04/49/36/263044936.db2.gz RAVPHTMFSHTXCS-GFCCVEGCSA-N 1 2 260.341 1.814 20 30 CDEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C)C#N)cn2c1 ZINC000340433585 263144411 /nfs/dbraw/zinc/14/44/11/263144411.db2.gz DSFKHESANRFMSM-LLVKDONJSA-N 1 2 288.376 1.904 20 30 CDEDLO N#C[C@]1(C(=O)NCCCn2cc[nH+]c2)CC12CCCC2 ZINC000294230154 263158223 /nfs/dbraw/zinc/15/82/23/263158223.db2.gz MBLOSUAIGFLYRN-HNNXBMFYSA-N 1 2 272.352 1.863 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1ccccn1 ZINC000295240881 263175016 /nfs/dbraw/zinc/17/50/16/263175016.db2.gz YBFMURBFMVEJGH-CYBMUJFWSA-N 1 2 274.368 1.522 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccccn1 ZINC000295240881 263175017 /nfs/dbraw/zinc/17/50/17/263175017.db2.gz YBFMURBFMVEJGH-CYBMUJFWSA-N 1 2 274.368 1.522 20 30 CDEDLO C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000298733263 263224446 /nfs/dbraw/zinc/22/44/46/263224446.db2.gz HMNGSPWBDSSYDW-GFCCVEGCSA-N 1 2 296.330 1.606 20 30 CDEDLO C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000298733263 263224448 /nfs/dbraw/zinc/22/44/48/263224448.db2.gz HMNGSPWBDSSYDW-GFCCVEGCSA-N 1 2 296.330 1.606 20 30 CDEDLO CCOC(=O)CC/[NH+]=C/c1cc(OC)ccc1O ZINC000299260704 263236894 /nfs/dbraw/zinc/23/68/94/263236894.db2.gz KJGBNEROMPZZTP-NTEUORMPSA-N 1 2 251.282 1.773 20 30 CDEDLO C=CC[C@H](C)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000121010202 263290019 /nfs/dbraw/zinc/29/00/19/263290019.db2.gz IAYXVPZENAQKAX-STQMWFEESA-N 1 2 274.368 1.924 20 30 CDEDLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)NCC#N)s1 ZINC000122085698 263300469 /nfs/dbraw/zinc/30/04/69/263300469.db2.gz HTHROXVFEQGRLB-SNVBAGLBSA-N 1 2 280.397 1.647 20 30 CDEDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)NCC#N)s1 ZINC000122085698 263300472 /nfs/dbraw/zinc/30/04/72/263300472.db2.gz HTHROXVFEQGRLB-SNVBAGLBSA-N 1 2 280.397 1.647 20 30 CDEDLO COC(=O)COc1ccc(C[N@H+](C)CCC#N)cc1 ZINC000340944630 263313596 /nfs/dbraw/zinc/31/35/96/263313596.db2.gz GUKWZNFNKJPSBM-UHFFFAOYSA-N 1 2 262.309 1.584 20 30 CDEDLO COC(=O)COc1ccc(C[N@@H+](C)CCC#N)cc1 ZINC000340944630 263313597 /nfs/dbraw/zinc/31/35/97/263313597.db2.gz GUKWZNFNKJPSBM-UHFFFAOYSA-N 1 2 262.309 1.584 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2nccc(C)n2)CC1 ZINC000341986828 263380753 /nfs/dbraw/zinc/38/07/53/263380753.db2.gz IBEGCKVRGVQXCM-UHFFFAOYSA-N 1 2 260.341 1.537 20 30 CDEDLO CCc1nnc([C@@H](C)[NH+]2CCC(C#N)(COC)CC2)o1 ZINC000341993505 263383053 /nfs/dbraw/zinc/38/30/53/263383053.db2.gz QWOUQISGFOGDBA-LLVKDONJSA-N 1 2 278.356 1.945 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000342190226 263396665 /nfs/dbraw/zinc/39/66/65/263396665.db2.gz BQHUOSUXXDVGGJ-GFCCVEGCSA-N 1 2 273.336 1.178 20 30 CDEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000330631781 264000103 /nfs/dbraw/zinc/00/01/03/264000103.db2.gz GNLNNQNVKKTUDT-UMVBOHGHSA-N 1 2 281.400 1.540 20 30 CDEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000330631781 264000104 /nfs/dbraw/zinc/00/01/04/264000104.db2.gz GNLNNQNVKKTUDT-UMVBOHGHSA-N 1 2 281.400 1.540 20 30 CDEDLO Cc1c(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cnn1C(C)C ZINC000330631445 264000108 /nfs/dbraw/zinc/00/01/08/264000108.db2.gz GCCPVBDNJRNSCZ-LBPRGKRZSA-N 1 2 294.399 1.798 20 30 CDEDLO Cc1c(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cnn1C(C)C ZINC000330631445 264000109 /nfs/dbraw/zinc/00/01/09/264000109.db2.gz GCCPVBDNJRNSCZ-LBPRGKRZSA-N 1 2 294.399 1.798 20 30 CDEDLO Cc1ncc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)c(C)n1 ZINC000330702412 264017900 /nfs/dbraw/zinc/01/79/00/264017900.db2.gz IAWJSWZHQGOKBK-JTQLQIEISA-N 1 2 278.356 1.119 20 30 CDEDLO Cc1ncc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)c(C)n1 ZINC000330702412 264017901 /nfs/dbraw/zinc/01/79/01/264017901.db2.gz IAWJSWZHQGOKBK-JTQLQIEISA-N 1 2 278.356 1.119 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccc(C(=O)OCC)o2)nn1 ZINC000425361348 264148177 /nfs/dbraw/zinc/14/81/77/264148177.db2.gz ZBTDWUBWKGLRAV-UHFFFAOYSA-N 1 2 290.323 1.524 20 30 CDEDLO Cc1ccc(O)c(C(=O)NCC[N@H+]2CCOC[C@@H]2C)c1 ZINC000331247354 264179581 /nfs/dbraw/zinc/17/95/81/264179581.db2.gz VTFRNDPXZPZXKE-LBPRGKRZSA-N 1 2 278.352 1.726 20 30 CDEDLO Cc1ccc(O)c(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)c1 ZINC000331247354 264179582 /nfs/dbraw/zinc/17/95/82/264179582.db2.gz VTFRNDPXZPZXKE-LBPRGKRZSA-N 1 2 278.352 1.726 20 30 CDEDLO C=CC[N@H+](CC(=O)c1cccn1C)[C@H](C)COC ZINC000661243470 424077459 /nfs/dbraw/zinc/07/74/59/424077459.db2.gz KUGBBXLMMZGFMU-GFCCVEGCSA-N 1 2 250.342 1.731 20 30 CDEDLO C=CC[N@@H+](CC(=O)c1cccn1C)[C@H](C)COC ZINC000661243470 424077474 /nfs/dbraw/zinc/07/74/74/424077474.db2.gz KUGBBXLMMZGFMU-GFCCVEGCSA-N 1 2 250.342 1.731 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)C1=O ZINC000282048747 424206496 /nfs/dbraw/zinc/20/64/96/424206496.db2.gz RJXMJLCXRGAWKZ-QWHCGFSZSA-N 1 2 294.395 1.579 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)C1=O ZINC000282048747 424206504 /nfs/dbraw/zinc/20/65/04/424206504.db2.gz RJXMJLCXRGAWKZ-QWHCGFSZSA-N 1 2 294.395 1.579 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](OC)C2)nn1 ZINC000653541094 424259044 /nfs/dbraw/zinc/25/90/44/424259044.db2.gz DDXAQIXXVCESNV-ZDUSSCGKSA-N 1 2 250.346 1.465 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](OC)C2)nn1 ZINC000653541094 424259052 /nfs/dbraw/zinc/25/90/52/424259052.db2.gz DDXAQIXXVCESNV-ZDUSSCGKSA-N 1 2 250.346 1.465 20 30 CDEDLO CC(C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000230335450 265847170 /nfs/dbraw/zinc/84/71/70/265847170.db2.gz KQHBFSLCRVUTCO-UHFFFAOYSA-N 1 2 299.421 1.334 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCC(F)(F)F ZINC000356478080 266122443 /nfs/dbraw/zinc/12/24/43/266122443.db2.gz QAXCUKMSFLLQQZ-DTWKUNHWSA-N 1 2 265.279 1.535 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCC(F)(F)F ZINC000356478080 266122449 /nfs/dbraw/zinc/12/24/49/266122449.db2.gz QAXCUKMSFLLQQZ-DTWKUNHWSA-N 1 2 265.279 1.535 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000368438392 267172317 /nfs/dbraw/zinc/17/23/17/267172317.db2.gz LGUSXHMWKTXAEO-DJJJIMSYSA-N 1 2 286.441 1.111 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000368438392 267172319 /nfs/dbraw/zinc/17/23/19/267172319.db2.gz LGUSXHMWKTXAEO-DJJJIMSYSA-N 1 2 286.441 1.111 20 30 CDEDLO CC[N@@H+](Cc1cnc(-c2cnn(C)c2)nc1)C[C@@H](C)C#N ZINC000368443219 267173175 /nfs/dbraw/zinc/17/31/75/267173175.db2.gz SKRCAIXQPWLXQI-LBPRGKRZSA-N 1 2 284.367 1.859 20 30 CDEDLO CC[N@H+](Cc1cnc(-c2cnn(C)c2)nc1)C[C@@H](C)C#N ZINC000368443219 267173176 /nfs/dbraw/zinc/17/31/76/267173176.db2.gz SKRCAIXQPWLXQI-LBPRGKRZSA-N 1 2 284.367 1.859 20 30 CDEDLO C=CCCC(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000368673353 267196724 /nfs/dbraw/zinc/19/67/24/267196724.db2.gz RWLLVRXUVCYJPG-UHFFFAOYSA-N 1 2 276.384 1.421 20 30 CDEDLO C=CCCC(=O)N1CCC[N@@H+](Cc2nccn2C)CC1 ZINC000368673353 267196728 /nfs/dbraw/zinc/19/67/28/267196728.db2.gz RWLLVRXUVCYJPG-UHFFFAOYSA-N 1 2 276.384 1.421 20 30 CDEDLO C=CCCC(=O)N1CCC[N@H+](Cc2nccn2C)CC1 ZINC000368673353 267196732 /nfs/dbraw/zinc/19/67/32/267196732.db2.gz RWLLVRXUVCYJPG-UHFFFAOYSA-N 1 2 276.384 1.421 20 30 CDEDLO N#Cc1ccc(OC[C@@H](O)C[NH+]2CC(OC(F)F)C2)cc1 ZINC000399866754 270376229 /nfs/dbraw/zinc/37/62/29/270376229.db2.gz ANGDSNXSXHGWGV-NSHDSACASA-N 1 2 298.289 1.221 20 30 CDEDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000152532682 289137206 /nfs/dbraw/zinc/13/72/06/289137206.db2.gz BJKILMJWOIETLE-CQSZACIVSA-N 1 2 287.363 1.667 20 30 CDEDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000152532682 289137211 /nfs/dbraw/zinc/13/72/11/289137211.db2.gz BJKILMJWOIETLE-CQSZACIVSA-N 1 2 287.363 1.667 20 30 CDEDLO N#Cc1cccc(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000548609515 289903490 /nfs/dbraw/zinc/90/34/90/289903490.db2.gz FQFHZPFYKLDTOP-CQSZACIVSA-N 1 2 295.346 1.569 20 30 CDEDLO Cc1nc(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)ccc1C#N ZINC000456367341 293192443 /nfs/dbraw/zinc/19/24/43/293192443.db2.gz HDRKTHPUSSJDSU-ZANVPECISA-N 1 2 281.319 1.894 20 30 CDEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(C)n1C ZINC000563220774 327979618 /nfs/dbraw/zinc/97/96/18/327979618.db2.gz VADJLMQODQCBHA-AWEZNQCLSA-N 1 2 262.357 1.216 20 30 CDEDLO C=CCN(CC=C)C(=O)CO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000266245547 328168551 /nfs/dbraw/zinc/16/85/51/328168551.db2.gz YPTJWBWFWHMWRL-CYBMUJFWSA-N 1 2 297.399 1.537 20 30 CDEDLO CC(=O)c1ccccc1OCCO[NH+]=C(N)[C@H]1CCCO1 ZINC000284598586 328246395 /nfs/dbraw/zinc/24/63/95/328246395.db2.gz YIYGVJQEXBMNMW-CQSZACIVSA-N 1 2 292.335 1.736 20 30 CDEDLO Cc1nc2n(n1)C[C@H](Nc1cc(C)[nH+]cc1C#N)CC2 ZINC000583496030 325186697 /nfs/dbraw/zinc/18/66/97/325186697.db2.gz VZRNQHWRBNBGSJ-GFCCVEGCSA-N 1 2 268.324 1.010 20 30 CDEDLO Cc1nc(CCNc2cc(C)[nH+]cc2C#N)c(C)o1 ZINC000584049157 326906908 /nfs/dbraw/zinc/90/69/08/326906908.db2.gz COVSMLTZMKVKPJ-UHFFFAOYSA-N 1 2 256.309 1.943 20 30 CDEDLO C=CCC[C@H](O)C[NH2+][C@H](C(=O)OC)[C@H]1CCC[C@@H](OC)C1 ZINC000566013366 327114529 /nfs/dbraw/zinc/11/45/29/327114529.db2.gz NTOIZHGQRRAJJP-XQLPTFJDSA-N 1 2 299.411 1.650 20 30 CDEDLO C[C@H](c1nnnn1-c1ccccc1)[NH+]1CCC(C#N)CC1 ZINC000141983001 327131851 /nfs/dbraw/zinc/13/18/51/327131851.db2.gz JADKPMAGVSVCEU-GFCCVEGCSA-N 1 2 282.351 1.959 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000579370105 327364416 /nfs/dbraw/zinc/36/44/16/327364416.db2.gz XYESEWUVJDPFQD-GFCCVEGCSA-N 1 2 256.309 1.779 20 30 CDEDLO Cc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nc1C ZINC000583443900 327368905 /nfs/dbraw/zinc/36/89/05/327368905.db2.gz GQYDKTMSPOSFBH-CQSZACIVSA-N 1 2 260.341 1.272 20 30 CDEDLO CC[C@@H](C)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000190804462 329402651 /nfs/dbraw/zinc/40/26/51/329402651.db2.gz SNRRLFAIILCFDD-CQSZACIVSA-N 1 2 281.400 1.497 20 30 CDEDLO C=CCC[C@H]1NC(=O)N([C@H](C)c2[nH+]ccn2CC)C1=O ZINC000420026136 329755369 /nfs/dbraw/zinc/75/53/69/329755369.db2.gz ZSJLZYQWSNMPCM-GHMZBOCLSA-N 1 2 276.340 1.851 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccnn2C(C)C)nn1 ZINC000424171228 330311088 /nfs/dbraw/zinc/31/10/88/330311088.db2.gz LOGFLUOEOMZBCH-UHFFFAOYSA-N 1 2 260.345 1.531 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cnc3ccc(C)cn23)nn1 ZINC000424169862 330312065 /nfs/dbraw/zinc/31/20/65/330312065.db2.gz IXTASVRGTFNCLC-UHFFFAOYSA-N 1 2 282.351 1.710 20 30 CDEDLO C=CCn1cc(CNCc2c[nH+]c3ccc(C)cn23)nn1 ZINC000424169862 330312066 /nfs/dbraw/zinc/31/20/66/330312066.db2.gz IXTASVRGTFNCLC-UHFFFAOYSA-N 1 2 282.351 1.710 20 30 CDEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cncc(F)c2)nn1 ZINC000424175162 330315259 /nfs/dbraw/zinc/31/52/59/330315259.db2.gz SROGESVQCRFDFY-JTQLQIEISA-N 1 2 261.304 1.849 20 30 CDEDLO C=CC(C)(C)CNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000453878986 331138484 /nfs/dbraw/zinc/13/84/84/331138484.db2.gz IUYBPDHAWGMWRU-UHFFFAOYSA-N 1 2 275.352 1.965 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456196250 331186299 /nfs/dbraw/zinc/18/62/99/331186299.db2.gz CLXDKKDHMMIQIW-IJEWVQPXSA-N 1 2 296.411 1.195 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456196250 331186300 /nfs/dbraw/zinc/18/63/00/331186300.db2.gz CLXDKKDHMMIQIW-IJEWVQPXSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456196869 331186322 /nfs/dbraw/zinc/18/63/22/331186322.db2.gz DAOSUWAQTICEEQ-GASCZTMLSA-N 1 2 278.396 1.734 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456196869 331186323 /nfs/dbraw/zinc/18/63/23/331186323.db2.gz DAOSUWAQTICEEQ-GASCZTMLSA-N 1 2 278.396 1.734 20 30 CDEDLO COCCN(CC#N)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000457209381 331216067 /nfs/dbraw/zinc/21/60/67/331216067.db2.gz YWKZVEMJIOCRSC-UHFFFAOYSA-N 1 2 284.319 1.484 20 30 CDEDLO C=CC(C)(C)CNC(=O)N(C)Cc1[nH+]ccn1C ZINC000458993832 331265054 /nfs/dbraw/zinc/26/50/54/331265054.db2.gz YICWHHRJRXXUGQ-UHFFFAOYSA-N 1 2 250.346 1.774 20 30 CDEDLO C#CCNC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000490668890 332101382 /nfs/dbraw/zinc/10/13/82/332101382.db2.gz CFPRIGWGNJMEIB-UHFFFAOYSA-N 1 2 254.293 1.305 20 30 CDEDLO C#CC[N@@H+](CC#CC)C[C@H](O)c1ccc(F)cc1F ZINC000490712857 332107182 /nfs/dbraw/zinc/10/71/82/332107182.db2.gz HBRVXFKKJWGAEK-HNNXBMFYSA-N 1 2 263.287 1.957 20 30 CDEDLO C#CC[N@H+](CC#CC)C[C@H](O)c1ccc(F)cc1F ZINC000490712857 332107183 /nfs/dbraw/zinc/10/71/83/332107183.db2.gz HBRVXFKKJWGAEK-HNNXBMFYSA-N 1 2 263.287 1.957 20 30 CDEDLO C#CC[N@@H+](CCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000490865581 332121723 /nfs/dbraw/zinc/12/17/23/332121723.db2.gz FAIRKAGCFRKBCS-INIZCTEOSA-N 1 2 291.416 1.742 20 30 CDEDLO C#CC[N@H+](CCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000490865581 332121724 /nfs/dbraw/zinc/12/17/24/332121724.db2.gz FAIRKAGCFRKBCS-INIZCTEOSA-N 1 2 291.416 1.742 20 30 CDEDLO C#CCN(CC#N)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000490971797 332134479 /nfs/dbraw/zinc/13/44/79/332134479.db2.gz DHHRTQZNVXEIPL-UHFFFAOYSA-N 1 2 264.288 1.471 20 30 CDEDLO C#C[C@H](NC(=O)Cc1[nH]c[nH+]c1C)c1ccc(F)cc1 ZINC000491240881 332172264 /nfs/dbraw/zinc/17/22/64/332172264.db2.gz DPRJSCCCYBZCOD-ZDUSSCGKSA-N 1 2 271.295 1.890 20 30 CDEDLO C#C[C@H](NC(=O)Cc1[nH+]c[nH]c1C)c1ccc(F)cc1 ZINC000491240881 332172265 /nfs/dbraw/zinc/17/22/65/332172265.db2.gz DPRJSCCCYBZCOD-ZDUSSCGKSA-N 1 2 271.295 1.890 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(C(C)=O)c1 ZINC000491252353 332174340 /nfs/dbraw/zinc/17/43/40/332174340.db2.gz HODGKAUQHJQUBF-LLVKDONJSA-N 1 2 258.321 1.781 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(C(C)=O)c1 ZINC000491252353 332174342 /nfs/dbraw/zinc/17/43/42/332174342.db2.gz HODGKAUQHJQUBF-LLVKDONJSA-N 1 2 258.321 1.781 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)N1CCCc2ccccc21 ZINC000491339093 332192875 /nfs/dbraw/zinc/19/28/75/332192875.db2.gz NQYMXOKTEBLLRX-INIZCTEOSA-N 1 2 298.386 1.690 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)N1CCCc2ccccc21 ZINC000491339093 332192876 /nfs/dbraw/zinc/19/28/76/332192876.db2.gz NQYMXOKTEBLLRX-INIZCTEOSA-N 1 2 298.386 1.690 20 30 CDEDLO C#C[C@H]1COCCN1c1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000491428203 332209982 /nfs/dbraw/zinc/20/99/82/332209982.db2.gz NQNFKUCUSRZGQG-AWEZNQCLSA-N 1 2 280.331 1.685 20 30 CDEDLO C#C[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccc(F)cc1 ZINC000491505851 332224986 /nfs/dbraw/zinc/22/49/86/332224986.db2.gz NLLSWQANMSTWAL-AWEZNQCLSA-N 1 2 271.295 1.972 20 30 CDEDLO C#C[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC000491505851 332224987 /nfs/dbraw/zinc/22/49/87/332224987.db2.gz NLLSWQANMSTWAL-AWEZNQCLSA-N 1 2 271.295 1.972 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cccc2nsnc21 ZINC000491538017 332233059 /nfs/dbraw/zinc/23/30/59/332233059.db2.gz WDKZVVUPUVQZCO-SECBINFHSA-N 1 2 274.349 1.583 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc2nsnc21 ZINC000491538017 332233060 /nfs/dbraw/zinc/23/30/60/332233060.db2.gz WDKZVVUPUVQZCO-SECBINFHSA-N 1 2 274.349 1.583 20 30 CDEDLO C#CC[N@@H+](Cc1nc(C(=O)OCC)no1)C1CCCC1 ZINC000491616062 332243174 /nfs/dbraw/zinc/24/31/74/332243174.db2.gz IDCXLMRZJBCJRL-UHFFFAOYSA-N 1 2 277.324 1.624 20 30 CDEDLO C#CC[N@H+](Cc1nc(C(=O)OCC)no1)C1CCCC1 ZINC000491616062 332243175 /nfs/dbraw/zinc/24/31/75/332243175.db2.gz IDCXLMRZJBCJRL-UHFFFAOYSA-N 1 2 277.324 1.624 20 30 CDEDLO C#C[C@@H](Nc1nc(N(C)C)nc(C)[nH+]1)c1ccc(F)cc1 ZINC000491635900 332257080 /nfs/dbraw/zinc/25/70/80/332257080.db2.gz SIMKKKYIPVIJNH-CYBMUJFWSA-N 1 2 285.326 1.593 20 30 CDEDLO C#C[C@@H](Nc1nc(C)[nH+]c(N(C)C)n1)c1ccc(F)cc1 ZINC000491635900 332257082 /nfs/dbraw/zinc/25/70/82/332257082.db2.gz SIMKKKYIPVIJNH-CYBMUJFWSA-N 1 2 285.326 1.593 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)Nc1ccc(F)cc1 ZINC000491660680 332270819 /nfs/dbraw/zinc/27/08/19/332270819.db2.gz MTVPQWLZFAJWHC-AWEZNQCLSA-N 1 2 276.311 1.488 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(F)cc1 ZINC000491660680 332270821 /nfs/dbraw/zinc/27/08/21/332270821.db2.gz MTVPQWLZFAJWHC-AWEZNQCLSA-N 1 2 276.311 1.488 20 30 CDEDLO C#CC[NH+](CC#C)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000491665442 332274088 /nfs/dbraw/zinc/27/40/88/332274088.db2.gz ITJPOMTUFWZEEL-AWEZNQCLSA-N 1 2 289.400 1.762 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000491711409 332302961 /nfs/dbraw/zinc/30/29/61/332302961.db2.gz WMHIALQQNSVIBS-CXAGYDPISA-N 1 2 299.374 1.755 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000491711409 332302962 /nfs/dbraw/zinc/30/29/62/332302962.db2.gz WMHIALQQNSVIBS-CXAGYDPISA-N 1 2 299.374 1.755 20 30 CDEDLO C#C[C@@H]1COCCN1C(=O)NCc1c[nH+]c(C)cc1C ZINC000491740952 332319847 /nfs/dbraw/zinc/31/98/47/332319847.db2.gz PASYTKBFQDUYFJ-CQSZACIVSA-N 1 2 273.336 1.242 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cc(OC)c(O)c(OC)c1 ZINC000491741022 332320068 /nfs/dbraw/zinc/32/00/68/332320068.db2.gz YZJBTFQYEMQBHA-UHFFFAOYSA-N 1 2 273.332 1.868 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cc(OC)c(O)c(OC)c1 ZINC000491741022 332320069 /nfs/dbraw/zinc/32/00/69/332320069.db2.gz YZJBTFQYEMQBHA-UHFFFAOYSA-N 1 2 273.332 1.868 20 30 CDEDLO C#C[C@H](C)N(C)c1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000491752075 332328226 /nfs/dbraw/zinc/32/82/26/332328226.db2.gz YXPMOLTVZUDDBM-AVGNSLFASA-N 1 2 274.368 1.142 20 30 CDEDLO C#C[C@H](C)N(C)c1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000491752075 332328227 /nfs/dbraw/zinc/32/82/27/332328227.db2.gz YXPMOLTVZUDDBM-AVGNSLFASA-N 1 2 274.368 1.142 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000491779283 332344204 /nfs/dbraw/zinc/34/42/04/332344204.db2.gz ZMJSVBLFLFFSMU-TZMCWYRMSA-N 1 2 271.364 1.902 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000491779283 332344206 /nfs/dbraw/zinc/34/42/06/332344206.db2.gz ZMJSVBLFLFFSMU-TZMCWYRMSA-N 1 2 271.364 1.902 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000491803139 332357099 /nfs/dbraw/zinc/35/70/99/332357099.db2.gz INHZSCCONGGCLA-CQSZACIVSA-N 1 2 256.305 1.423 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000491803139 332357100 /nfs/dbraw/zinc/35/71/00/332357100.db2.gz INHZSCCONGGCLA-CQSZACIVSA-N 1 2 256.305 1.423 20 30 CDEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@](C)(C#N)C(C)C ZINC000492448790 332397832 /nfs/dbraw/zinc/39/78/32/332397832.db2.gz NSTNTEWMNZSDFM-LMVHVUTASA-N 1 2 260.341 1.971 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000246497174 334260127 /nfs/dbraw/zinc/26/01/27/334260127.db2.gz AZQBOCPSCLZIFF-BDAKNGLRSA-N 1 2 263.263 1.384 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000246497174 334260128 /nfs/dbraw/zinc/26/01/28/334260128.db2.gz AZQBOCPSCLZIFF-BDAKNGLRSA-N 1 2 263.263 1.384 20 30 CDEDLO C=C(C)C(=O)NCCCNc1c(N)[nH+]ccc1F ZINC001167667100 1159204866 /nfs/dbraw/zinc/20/48/66/1159204866.db2.gz GNAJHQJFWSPWDW-UHFFFAOYSA-N 1 2 252.293 1.297 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1nc2ccc(OC)nc2[nH]1 ZINC000517583573 333102910 /nfs/dbraw/zinc/10/29/10/333102910.db2.gz KYYHSZZHRGOQQX-VIFPVBQESA-N 1 2 259.313 1.748 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000192234019 333233055 /nfs/dbraw/zinc/23/30/55/333233055.db2.gz WSHGTWKPLLQKOK-GFCCVEGCSA-N 1 2 260.337 1.896 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000192234019 333233056 /nfs/dbraw/zinc/23/30/56/333233056.db2.gz WSHGTWKPLLQKOK-GFCCVEGCSA-N 1 2 260.337 1.896 20 30 CDEDLO CCOCC[NH+]1CCN(C(=O)C(C#N)(CC)CC)CC1 ZINC000528524187 333429321 /nfs/dbraw/zinc/42/93/21/333429321.db2.gz ZWMONHWHFXUQIZ-UHFFFAOYSA-N 1 2 281.400 1.497 20 30 CDEDLO C=CCOc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000134493471 334092190 /nfs/dbraw/zinc/09/21/90/334092190.db2.gz UPSIOOOUKKFUHL-UHFFFAOYSA-N 1 2 271.320 1.947 20 30 CDEDLO C=CCOc1ccccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000135074464 334114578 /nfs/dbraw/zinc/11/45/78/334114578.db2.gz IUWRKTWGWPWRCL-UHFFFAOYSA-N 1 2 271.320 1.947 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000555482534 334479578 /nfs/dbraw/zinc/47/95/78/334479578.db2.gz BIJVQORGGPPNMT-CYBMUJFWSA-N 1 2 276.296 1.168 20 30 CDEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)ns1 ZINC000576759170 335244657 /nfs/dbraw/zinc/24/46/57/335244657.db2.gz UKABHNARVCJDNT-LLVKDONJSA-N 1 2 252.343 1.025 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000580624659 335305546 /nfs/dbraw/zinc/30/55/46/335305546.db2.gz BZZXUIHSIIXSFA-OLZOCXBDSA-N 1 2 271.320 1.798 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1C(C)(C)C1(C)C ZINC000578511660 335643348 /nfs/dbraw/zinc/64/33/48/335643348.db2.gz AJAGFVOFGOUWIQ-CQSZACIVSA-N 1 2 251.374 1.629 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1ccc(Cl)cc1 ZINC000581761419 336143435 /nfs/dbraw/zinc/14/34/35/336143435.db2.gz PGRFMCPNYWGXAH-CQSZACIVSA-N 1 2 295.770 1.679 20 30 CDEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)CC(C)(C)CC ZINC001754968125 1159493392 /nfs/dbraw/zinc/49/33/92/1159493392.db2.gz XPCKXWNTEKGVGA-AWEZNQCLSA-N 1 2 280.412 1.653 20 30 CDEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)CC(C)(C)CC ZINC001754968125 1159493396 /nfs/dbraw/zinc/49/33/96/1159493396.db2.gz XPCKXWNTEKGVGA-AWEZNQCLSA-N 1 2 280.412 1.653 20 30 CDEDLO C=CCN1CC[C@@H](N(C)c2cc(NC3CC3)[nH+]cn2)C1=O ZINC000665716491 482477307 /nfs/dbraw/zinc/47/73/07/482477307.db2.gz DMYCQRGJBGMFER-GFCCVEGCSA-N 1 2 287.367 1.274 20 30 CDEDLO C=CCN1CC[C@@H](N(C)c2cc(NC3CC3)nc[nH+]2)C1=O ZINC000665716491 482477308 /nfs/dbraw/zinc/47/73/08/482477308.db2.gz DMYCQRGJBGMFER-GFCCVEGCSA-N 1 2 287.367 1.274 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1[nH+]cnc2c1OCCN2 ZINC000665716446 482569455 /nfs/dbraw/zinc/56/94/55/482569455.db2.gz HFPYLXIYURLUAW-GHMZBOCLSA-N 1 2 276.340 1.674 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1nc[nH+]c2c1OCCN2 ZINC000665716446 482569461 /nfs/dbraw/zinc/56/94/61/482569461.db2.gz HFPYLXIYURLUAW-GHMZBOCLSA-N 1 2 276.340 1.674 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000682041676 482669075 /nfs/dbraw/zinc/66/90/75/482669075.db2.gz MKYPOBPQESRBTB-JQWIXIFHSA-N 1 2 294.317 1.720 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000682041676 482669077 /nfs/dbraw/zinc/66/90/77/482669077.db2.gz MKYPOBPQESRBTB-JQWIXIFHSA-N 1 2 294.317 1.720 20 30 CDEDLO C=C[C@@](C)(O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000667158405 483118849 /nfs/dbraw/zinc/11/88/49/483118849.db2.gz XVGOWBBLSPWPBE-OAHLLOKOSA-N 1 2 260.337 1.055 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)C1=O ZINC000282048741 483232813 /nfs/dbraw/zinc/23/28/13/483232813.db2.gz RJXMJLCXRGAWKZ-CHWSQXEVSA-N 1 2 294.395 1.579 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)C1=O ZINC000282048741 483232819 /nfs/dbraw/zinc/23/28/19/483232819.db2.gz RJXMJLCXRGAWKZ-CHWSQXEVSA-N 1 2 294.395 1.579 20 30 CDEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1OC ZINC001212148666 1160968479 /nfs/dbraw/zinc/96/84/79/1160968479.db2.gz OHVKFYYTVHBOEB-TXKQXAOOSA-N 1 2 298.814 1.748 20 30 CDEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1OC ZINC001212148666 1160968485 /nfs/dbraw/zinc/96/84/85/1160968485.db2.gz OHVKFYYTVHBOEB-TXKQXAOOSA-N 1 2 298.814 1.748 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(CC)CCC2)C1 ZINC001108144145 1161515909 /nfs/dbraw/zinc/51/59/09/1161515909.db2.gz KKXUWIMRAFIDGR-INIZCTEOSA-N 1 2 292.423 1.797 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(CC)CCC2)C1 ZINC001108144145 1161515914 /nfs/dbraw/zinc/51/59/14/1161515914.db2.gz KKXUWIMRAFIDGR-INIZCTEOSA-N 1 2 292.423 1.797 20 30 CDEDLO C[C@@H](CN1CCCC1=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC000329230976 533809165 /nfs/dbraw/zinc/80/91/65/533809165.db2.gz DVXUUXSJPRQVIM-JTQLQIEISA-N 1 2 264.329 1.310 20 30 CDEDLO C[C@@H](CN1CCCC1=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC000329230976 533809178 /nfs/dbraw/zinc/80/91/78/533809178.db2.gz DVXUUXSJPRQVIM-JTQLQIEISA-N 1 2 264.329 1.310 20 30 CDEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)C1CC1 ZINC001085450150 1161941489 /nfs/dbraw/zinc/94/14/89/1161941489.db2.gz LWAHVRMHCKUTGR-QGZVFWFLSA-N 1 2 282.387 1.981 20 30 CDEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)C1CC1 ZINC001085450150 1161941495 /nfs/dbraw/zinc/94/14/95/1161941495.db2.gz LWAHVRMHCKUTGR-QGZVFWFLSA-N 1 2 282.387 1.981 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)COCC1CC1 ZINC001731764637 1182557197 /nfs/dbraw/zinc/55/71/97/1182557197.db2.gz PFZWVRJKYRPVIJ-UHFFFAOYSA-N 1 2 260.765 1.214 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)COCC1CC1 ZINC001731764637 1182557202 /nfs/dbraw/zinc/55/72/02/1182557202.db2.gz PFZWVRJKYRPVIJ-UHFFFAOYSA-N 1 2 260.765 1.214 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2onc(C)c2C)CC1 ZINC001112997615 1162066002 /nfs/dbraw/zinc/06/60/02/1162066002.db2.gz FGRUZEYKOUDDCV-UHFFFAOYSA-N 1 2 293.367 1.252 20 30 CDEDLO C[C@H](C#N)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000347079999 534283058 /nfs/dbraw/zinc/28/30/58/534283058.db2.gz ICARJPVRDAIOGQ-BXKDBHETSA-N 1 2 281.306 1.843 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113802222 1162286739 /nfs/dbraw/zinc/28/67/39/1162286739.db2.gz JWUFUZDYFNETDN-LLVKDONJSA-N 1 2 276.384 1.938 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NCC2CC2)CCO1 ZINC000330036837 534813916 /nfs/dbraw/zinc/81/39/16/534813916.db2.gz CVAVPKGDTFNVJB-YPMHNXCESA-N 1 2 278.356 1.554 20 30 CDEDLO CC(=O)N1CC[NH+](CCNC(=O)CCC2CCC2)CC1 ZINC000330124715 526623582 /nfs/dbraw/zinc/62/35/82/526623582.db2.gz BHGUWATUWNFGKO-UHFFFAOYSA-N 1 2 281.400 1.687 20 30 CDEDLO N#Cc1ccc(Cl)cc1NCC[NH+]1CCOCC1 ZINC000062785224 526634960 /nfs/dbraw/zinc/63/49/60/526634960.db2.gz LPCJFOJWGSEPNT-UHFFFAOYSA-N 1 2 265.744 1.956 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000106141743 526954264 /nfs/dbraw/zinc/95/42/64/526954264.db2.gz CJEVBONIRUTOET-UHFFFAOYSA-N 1 2 280.375 1.623 20 30 CDEDLO C#CCN1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000106141743 526954271 /nfs/dbraw/zinc/95/42/71/526954271.db2.gz CJEVBONIRUTOET-UHFFFAOYSA-N 1 2 280.375 1.623 20 30 CDEDLO C=CCCOCCCCC(=O)Nc1cc[nH+]cc1O ZINC000344749445 527334668 /nfs/dbraw/zinc/33/46/68/527334668.db2.gz CEWVHFBQBRNBJA-UHFFFAOYSA-N 1 2 264.325 1.911 20 30 CDEDLO C=C[C@@H](C)NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000354835713 527412547 /nfs/dbraw/zinc/41/25/47/527412547.db2.gz ATUMNIOZYAVBEH-DGCLKSJQSA-N 1 2 252.358 1.178 20 30 CDEDLO C=C[C@@H](C)NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000354835713 527412551 /nfs/dbraw/zinc/41/25/51/527412551.db2.gz ATUMNIOZYAVBEH-DGCLKSJQSA-N 1 2 252.358 1.178 20 30 CDEDLO C=C[C@@H](CO)[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000352453803 527440509 /nfs/dbraw/zinc/44/05/09/527440509.db2.gz QDCKJSMTKRYWKP-JTQLQIEISA-N 1 2 296.733 1.696 20 30 CDEDLO CCC[C@@H]1C[C@H]1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000330267429 527850025 /nfs/dbraw/zinc/85/00/25/527850025.db2.gz ICAGSVCLGAQEJK-GRYCIOLGSA-N 1 2 255.362 1.009 20 30 CDEDLO CCC[C@@H]1C[C@H]1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000330267429 527850030 /nfs/dbraw/zinc/85/00/30/527850030.db2.gz ICAGSVCLGAQEJK-GRYCIOLGSA-N 1 2 255.362 1.009 20 30 CDEDLO CC(C)(C#N)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000042091810 534968836 /nfs/dbraw/zinc/96/88/36/534968836.db2.gz IMKMJGHIBGSMPM-UHFFFAOYSA-N 1 2 258.325 1.280 20 30 CDEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000178199713 535329788 /nfs/dbraw/zinc/32/97/88/535329788.db2.gz HDDMGLZYAQLQKO-UHFFFAOYSA-N 1 2 298.346 1.798 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](CC(=O)OCC)C2CCCC2)C1=O ZINC000337189405 538436361 /nfs/dbraw/zinc/43/63/61/538436361.db2.gz RFMKTMNFDUBYQQ-CQSZACIVSA-N 1 2 294.395 1.581 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](CC(=O)OCC)C2CCCC2)C1=O ZINC000337189405 538436364 /nfs/dbraw/zinc/43/63/64/538436364.db2.gz RFMKTMNFDUBYQQ-CQSZACIVSA-N 1 2 294.395 1.581 20 30 CDEDLO C=CCN(C(=O)c1ccc(-n2cc[nH+]c2)nn1)C(C)C ZINC000728868229 574669426 /nfs/dbraw/zinc/66/94/26/574669426.db2.gz FTUXTVWAMIOKFW-UHFFFAOYSA-N 1 2 271.324 1.699 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)nc1 ZINC000730095364 574848546 /nfs/dbraw/zinc/84/85/46/574848546.db2.gz FFJREDDNGWKOJG-LBPRGKRZSA-N 1 2 259.309 1.126 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)nc1 ZINC000730095364 574848547 /nfs/dbraw/zinc/84/85/47/574848547.db2.gz FFJREDDNGWKOJG-LBPRGKRZSA-N 1 2 259.309 1.126 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2nnco2)cc1 ZINC000730098122 574849400 /nfs/dbraw/zinc/84/94/00/574849400.db2.gz WMFWGQKDNBKULC-AWEZNQCLSA-N 1 2 296.330 1.773 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2nnco2)cc1 ZINC000730098122 574849401 /nfs/dbraw/zinc/84/94/01/574849401.db2.gz WMFWGQKDNBKULC-AWEZNQCLSA-N 1 2 296.330 1.773 20 30 CDEDLO C[C@@H](C#N)CNN=C1CCN(c2cccc[nH+]2)CC1 ZINC000771103743 575549125 /nfs/dbraw/zinc/54/91/25/575549125.db2.gz PSVLTDZGXTXCTO-LBPRGKRZSA-N 1 2 257.341 1.787 20 30 CDEDLO C=C(Cl)CNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000736245295 575602634 /nfs/dbraw/zinc/60/26/34/575602634.db2.gz NFUQJWCLRWBJLD-UHFFFAOYSA-N 1 2 262.700 1.750 20 30 CDEDLO C=C(C)[C@H](CC(=O)OCCn1cc[nH+]c1)OCC ZINC000772029743 575652020 /nfs/dbraw/zinc/65/20/20/575652020.db2.gz BVCHABXTVFWWJN-LBPRGKRZSA-N 1 2 252.314 1.798 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC(O)(C(C)C)C1 ZINC000773890991 575843240 /nfs/dbraw/zinc/84/32/40/575843240.db2.gz MDRWJBMNPZMCLG-ZDUSSCGKSA-N 1 2 266.385 1.278 20 30 CDEDLO C[C@H](CCC#N)CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000766034635 576073203 /nfs/dbraw/zinc/07/32/03/576073203.db2.gz RXVPBMDYFNGTRU-LLVKDONJSA-N 1 2 269.312 2.000 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000766694508 576122997 /nfs/dbraw/zinc/12/29/97/576122997.db2.gz YFOSGJPCAUWWER-STQMWFEESA-N 1 2 272.352 1.001 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000766694508 576122998 /nfs/dbraw/zinc/12/29/98/576122998.db2.gz YFOSGJPCAUWWER-STQMWFEESA-N 1 2 272.352 1.001 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000766694508 576123001 /nfs/dbraw/zinc/12/30/01/576123001.db2.gz YFOSGJPCAUWWER-STQMWFEESA-N 1 2 272.352 1.001 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000766694508 576123004 /nfs/dbraw/zinc/12/30/04/576123004.db2.gz YFOSGJPCAUWWER-STQMWFEESA-N 1 2 272.352 1.001 20 30 CDEDLO C#CCNC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000768544280 576295079 /nfs/dbraw/zinc/29/50/79/576295079.db2.gz LBMCNZUPXVTOLL-UHFFFAOYSA-N 1 2 287.319 1.309 20 30 CDEDLO C#CCNC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000768544280 576295082 /nfs/dbraw/zinc/29/50/82/576295082.db2.gz LBMCNZUPXVTOLL-UHFFFAOYSA-N 1 2 287.319 1.309 20 30 CDEDLO Cc1cc(NC(=O)C[N@@H+](CCC#N)CC(C)C)n(C)n1 ZINC000739915178 576397566 /nfs/dbraw/zinc/39/75/66/576397566.db2.gz VXQIWDTXKDXBPZ-UHFFFAOYSA-N 1 2 277.372 1.539 20 30 CDEDLO Cc1cc(NC(=O)C[N@H+](CCC#N)CC(C)C)n(C)n1 ZINC000739915178 576397567 /nfs/dbraw/zinc/39/75/67/576397567.db2.gz VXQIWDTXKDXBPZ-UHFFFAOYSA-N 1 2 277.372 1.539 20 30 CDEDLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000759716590 576422179 /nfs/dbraw/zinc/42/21/79/576422179.db2.gz ATKOCDXLXSQWAF-GFCCVEGCSA-N 1 2 259.309 1.687 20 30 CDEDLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000759716590 576422181 /nfs/dbraw/zinc/42/21/81/576422181.db2.gz ATKOCDXLXSQWAF-GFCCVEGCSA-N 1 2 259.309 1.687 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(C(C)C)cc2O)CC1 ZINC000760429115 576484279 /nfs/dbraw/zinc/48/42/79/576484279.db2.gz CBUBGKWKGJXMHW-UHFFFAOYSA-N 1 2 286.375 1.907 20 30 CDEDLO Oc1c(F)cccc1C=NNc1ccc(-n2cc[nH+]c2)nn1 ZINC000761854870 576598225 /nfs/dbraw/zinc/59/82/25/576598225.db2.gz ISDYYBYXNRHBLI-UHFFFAOYSA-N 1 2 298.281 1.953 20 30 CDEDLO N#CCN(C(=O)c1ccnc(-n2cc[nH+]c2)c1)C1CC1 ZINC000743886771 576660053 /nfs/dbraw/zinc/66/00/53/576660053.db2.gz FGRNQTRLAPSDDG-UHFFFAOYSA-N 1 2 267.292 1.395 20 30 CDEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)N(C)CCC#N ZINC000745085517 576714065 /nfs/dbraw/zinc/71/40/65/576714065.db2.gz FTOFLQMWBFNLOW-QWHCGFSZSA-N 1 2 295.383 1.165 20 30 CDEDLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)N(C)CCC#N ZINC000745085517 576714067 /nfs/dbraw/zinc/71/40/67/576714067.db2.gz FTOFLQMWBFNLOW-QWHCGFSZSA-N 1 2 295.383 1.165 20 30 CDEDLO C=CC[N@@H+](CC(=O)OCC)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763678392 576747824 /nfs/dbraw/zinc/74/78/24/576747824.db2.gz YQXIXBVDKIXEFJ-NSHDSACASA-N 1 2 267.325 1.133 20 30 CDEDLO C=CC[N@H+](CC(=O)OCC)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763678392 576747826 /nfs/dbraw/zinc/74/78/26/576747826.db2.gz YQXIXBVDKIXEFJ-NSHDSACASA-N 1 2 267.325 1.133 20 30 CDEDLO C#CC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000753906996 576865640 /nfs/dbraw/zinc/86/56/40/576865640.db2.gz HDEHIZDSMPYYNR-ZDUSSCGKSA-N 1 2 257.268 1.398 20 30 CDEDLO CC(C)C[N@H+](CCC#N)CC(=O)N(CCC#N)CCC#N ZINC000755671517 576954456 /nfs/dbraw/zinc/95/44/56/576954456.db2.gz LNONBLLEDMWLET-UHFFFAOYSA-N 1 2 289.383 1.514 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)CC(=O)N(CCC#N)CCC#N ZINC000755671517 576954457 /nfs/dbraw/zinc/95/44/57/576954457.db2.gz LNONBLLEDMWLET-UHFFFAOYSA-N 1 2 289.383 1.514 20 30 CDEDLO COc1cccc(/C=N/CC[N@@H+]2CCO[C@@H](C)C2)c1O ZINC000750949906 577018615 /nfs/dbraw/zinc/01/86/15/577018615.db2.gz KASDPGGKQNGCIP-SEJMYLSOSA-N 1 2 278.352 1.540 20 30 CDEDLO COc1cccc(/C=N/CC[N@H+]2CCO[C@@H](C)C2)c1O ZINC000750949906 577018617 /nfs/dbraw/zinc/01/86/17/577018617.db2.gz KASDPGGKQNGCIP-SEJMYLSOSA-N 1 2 278.352 1.540 20 30 CDEDLO C[C@H]1C[N@H+](C)CC1=NNc1nc(=O)c2ccccc2[nH]1 ZINC000757585022 577043941 /nfs/dbraw/zinc/04/39/41/577043941.db2.gz WKQIAAPNVYOFEK-VIFPVBQESA-N 1 2 271.324 1.685 20 30 CDEDLO C[C@H]1C[N@@H+](C)CC1=NNc1nc(=O)c2ccccc2[nH]1 ZINC000757585022 577043942 /nfs/dbraw/zinc/04/39/42/577043942.db2.gz WKQIAAPNVYOFEK-VIFPVBQESA-N 1 2 271.324 1.685 20 30 CDEDLO CO[C@H]1CCC[N@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000758218841 577083747 /nfs/dbraw/zinc/08/37/47/577083747.db2.gz DTCYFHWOWGUSTA-LBPRGKRZSA-N 1 2 261.325 1.097 20 30 CDEDLO CO[C@H]1CCC[N@@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000758218841 577083749 /nfs/dbraw/zinc/08/37/49/577083749.db2.gz DTCYFHWOWGUSTA-LBPRGKRZSA-N 1 2 261.325 1.097 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820219511 606911460 /nfs/dbraw/zinc/91/14/60/606911460.db2.gz HLNVFRMASDPZAP-GWCFXTLKSA-N 1 2 286.339 1.134 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820219511 606911461 /nfs/dbraw/zinc/91/14/61/606911461.db2.gz HLNVFRMASDPZAP-GWCFXTLKSA-N 1 2 286.339 1.134 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCO[C@H](CCC)C2)C1 ZINC001031155361 678691825 /nfs/dbraw/zinc/69/18/25/678691825.db2.gz KWDJDKGHHYGEOF-UKRRQHHQSA-N 1 2 278.396 1.405 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(C)nc(C)c2)C1 ZINC000950425446 612991854 /nfs/dbraw/zinc/99/18/54/612991854.db2.gz GBUNQVSEFSJKPE-UHFFFAOYSA-N 1 2 285.391 1.868 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(Cl)cn2)C1 ZINC000957301974 612992243 /nfs/dbraw/zinc/99/22/43/612992243.db2.gz DXOBHHSTZZONNI-UHFFFAOYSA-N 1 2 291.782 1.905 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cccc(OC)c2)C1 ZINC000957316382 612992492 /nfs/dbraw/zinc/99/24/92/612992492.db2.gz MHZXLJLPPQOHQZ-UHFFFAOYSA-N 1 2 286.375 1.865 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccccc2N(C)C)C1 ZINC000957450586 612992581 /nfs/dbraw/zinc/99/25/81/612992581.db2.gz GHZQLTMSZFGIAG-UHFFFAOYSA-N 1 2 299.418 1.922 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2n[nH]c3c2CCC3)C1 ZINC000950717793 612993451 /nfs/dbraw/zinc/99/34/51/612993451.db2.gz MIEACPONQYPFNJ-UHFFFAOYSA-N 1 2 286.379 1.068 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2ncc(F)cc2F)CC1 ZINC000981464053 613160504 /nfs/dbraw/zinc/16/05/04/613160504.db2.gz POTKZSOYOXGJBT-UHFFFAOYSA-N 1 2 279.290 1.141 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2ncc(F)cc2F)CC1 ZINC000981464053 613160507 /nfs/dbraw/zinc/16/05/07/613160507.db2.gz POTKZSOYOXGJBT-UHFFFAOYSA-N 1 2 279.290 1.141 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(OC)n(C)n2)C1 ZINC000950835989 613296590 /nfs/dbraw/zinc/29/65/90/613296590.db2.gz PPDMMJAZHQMLQQ-UHFFFAOYSA-N 1 2 292.383 1.151 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccnnc2C)CC1 ZINC000949115047 613321285 /nfs/dbraw/zinc/32/12/85/613321285.db2.gz WJJCWLDBFZCKSF-UHFFFAOYSA-N 1 2 260.341 1.119 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnn(CCC)c2C)CC1 ZINC000952396746 613321629 /nfs/dbraw/zinc/32/16/29/613321629.db2.gz BFUFJVASRZCGGD-UHFFFAOYSA-N 1 2 290.411 1.935 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnn(C)c2C(F)F)CC1 ZINC000957289249 613321785 /nfs/dbraw/zinc/32/17/85/613321785.db2.gz WDJTYKJIEXZZNB-UHFFFAOYSA-N 1 2 298.337 1.692 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2nc(C)oc2C)CC1 ZINC000952386662 613322340 /nfs/dbraw/zinc/32/23/40/613322340.db2.gz RJHVZMFBDDSHAN-UHFFFAOYSA-N 1 2 263.341 1.625 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2CC(OC)C2)C1 ZINC000969916683 613372001 /nfs/dbraw/zinc/37/20/01/613372001.db2.gz PLPWDFFWQRUJHP-ZBOXLXRLSA-N 1 2 286.803 1.600 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2csnn2)C1 ZINC000970222089 613372615 /nfs/dbraw/zinc/37/26/15/613372615.db2.gz CFJNFIDYSSLUPW-QMMMGPOBSA-N 1 2 286.788 1.341 20 30 CDEDLO C=C(Cl)CN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000948869838 613374951 /nfs/dbraw/zinc/37/49/51/613374951.db2.gz WSVRFKBUZRVSDN-VXGBXAGGSA-N 1 2 294.786 1.410 20 30 CDEDLO C=C(Cl)CN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000948869838 613374952 /nfs/dbraw/zinc/37/49/52/613374952.db2.gz WSVRFKBUZRVSDN-VXGBXAGGSA-N 1 2 294.786 1.410 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC000968400637 613375655 /nfs/dbraw/zinc/37/56/55/613375655.db2.gz RUFLPCHPPZFNQK-SKDRFNHKSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC000968400637 613375656 /nfs/dbraw/zinc/37/56/56/613375656.db2.gz RUFLPCHPPZFNQK-SKDRFNHKSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2cc(C)co2)[C@H](O)C1 ZINC000958323781 613380406 /nfs/dbraw/zinc/38/04/06/613380406.db2.gz DKBOYPBAUDGQJE-VXGBXAGGSA-N 1 2 298.770 1.363 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cc(C)co2)[C@H](O)C1 ZINC000958323781 613380407 /nfs/dbraw/zinc/38/04/07/613380407.db2.gz DKBOYPBAUDGQJE-VXGBXAGGSA-N 1 2 298.770 1.363 20 30 CDEDLO C=CCn1cccc1C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000981336818 613436689 /nfs/dbraw/zinc/43/66/89/613436689.db2.gz BMMYLMJVXIEKCH-UHFFFAOYSA-N 1 2 279.359 1.792 20 30 CDEDLO C=CCn1cccc1C(=O)N1CCC[N@H+](CCF)CC1 ZINC000981336818 613436691 /nfs/dbraw/zinc/43/66/91/613436691.db2.gz BMMYLMJVXIEKCH-UHFFFAOYSA-N 1 2 279.359 1.792 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2conc2C(C)C)CC1 ZINC000981322272 613556349 /nfs/dbraw/zinc/55/63/49/613556349.db2.gz NTDVKTGADSRCRL-UHFFFAOYSA-N 1 2 289.379 1.969 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2conc2C(C)C)CC1 ZINC000981322272 613556351 /nfs/dbraw/zinc/55/63/51/613556351.db2.gz NTDVKTGADSRCRL-UHFFFAOYSA-N 1 2 289.379 1.969 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H]2OCc3ccccc32)CC1 ZINC000957495127 613563284 /nfs/dbraw/zinc/56/32/84/613563284.db2.gz LGNSDYDQIXMLIU-QGZVFWFLSA-N 1 2 298.386 1.816 20 30 CDEDLO C[C@@H](CC(=O)NCC#C[C@H]1CCCCO1)n1cc[nH+]c1 ZINC000891112582 617365170 /nfs/dbraw/zinc/36/51/70/617365170.db2.gz MCANEIOWTIGKOF-UONOGXRCSA-N 1 2 275.352 1.523 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCO[C@@H](CC)C2)C1 ZINC000957101237 613654060 /nfs/dbraw/zinc/65/40/60/613654060.db2.gz MVZYYLATAOMFCT-HIFRSBDPSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC000950942552 613654200 /nfs/dbraw/zinc/65/42/00/613654200.db2.gz OLQLXJHYZUFEHK-CABCVRRESA-N 1 2 278.396 1.520 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cccc3[nH]ncc32)C1 ZINC000951107975 613657902 /nfs/dbraw/zinc/65/79/02/613657902.db2.gz OXJLUFJQNKZCMD-UHFFFAOYSA-N 1 2 284.363 1.895 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc3c(c2)NC(=O)C3)CC1 ZINC000948815896 613709408 /nfs/dbraw/zinc/70/94/08/613709408.db2.gz IPRHPIHXWHUJFU-UHFFFAOYSA-N 1 2 299.374 1.054 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)n2nc(C)cc2C)CC1 ZINC000957880036 613710451 /nfs/dbraw/zinc/71/04/51/613710451.db2.gz QMDANNHFTNWXFS-CQSZACIVSA-N 1 2 276.384 1.391 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCc3ccccc3O2)CC1 ZINC000952310973 613713167 /nfs/dbraw/zinc/71/31/67/613713167.db2.gz DWQQCACDVDZPJP-MRXNPFEDSA-N 1 2 286.375 1.710 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2Cc3cccc(C)c3O2)CC1 ZINC000957977363 613713608 /nfs/dbraw/zinc/71/36/08/613713608.db2.gz BSFVMIMQGLFYCV-OAHLLOKOSA-N 1 2 286.375 1.629 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)ccc2OC)CC1 ZINC000949160981 613714528 /nfs/dbraw/zinc/71/45/28/613714528.db2.gz VADBMVGSKTUZQO-UHFFFAOYSA-N 1 2 274.364 1.947 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C)[nH]c2=O)CC1 ZINC000950725835 613715521 /nfs/dbraw/zinc/71/55/21/613715521.db2.gz YVSYYQROJDNIJS-UHFFFAOYSA-N 1 2 261.325 1.039 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(-n3ccnn3)cc2)CC1 ZINC000957299802 613715818 /nfs/dbraw/zinc/71/58/18/613715818.db2.gz VKIVMSDDYXXBKN-UHFFFAOYSA-N 1 2 297.362 1.211 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccn3cc(C)nc3c2)CC1 ZINC000950495340 613717333 /nfs/dbraw/zinc/71/73/33/613717333.db2.gz CYYIVAUWEFNLIQ-UHFFFAOYSA-N 1 2 284.363 1.587 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc(Cl)n2C)CC1 ZINC000949283571 613717856 /nfs/dbraw/zinc/71/78/56/613717856.db2.gz CTTYKKGEXFGTBJ-UHFFFAOYSA-N 1 2 268.748 1.017 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnnc3ccccc32)CC1 ZINC000950721499 613718646 /nfs/dbraw/zinc/71/86/46/613718646.db2.gz PLBXZZHTDVOOMF-UHFFFAOYSA-N 1 2 282.347 1.574 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)C3CCC3)C2)C1 ZINC000972431360 613723563 /nfs/dbraw/zinc/72/35/63/613723563.db2.gz PSLDXRMTUHNXKD-YOEHRIQHSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)C3CCC3)C2)C1 ZINC000972431360 613723565 /nfs/dbraw/zinc/72/35/65/613723565.db2.gz PSLDXRMTUHNXKD-YOEHRIQHSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC000968188018 613770950 /nfs/dbraw/zinc/77/09/50/613770950.db2.gz AQKYPJSGONNCMX-ONGXEEELSA-N 1 2 266.320 1.175 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC000968188018 613770951 /nfs/dbraw/zinc/77/09/51/613770951.db2.gz AQKYPJSGONNCMX-ONGXEEELSA-N 1 2 266.320 1.175 20 30 CDEDLO C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cnns2)C1 ZINC000965392508 613775419 /nfs/dbraw/zinc/77/54/19/613775419.db2.gz CZSVLVLEHNSXOE-VHSXEESVSA-N 1 2 266.370 1.164 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cnns2)C1 ZINC000965392508 613775420 /nfs/dbraw/zinc/77/54/20/613775420.db2.gz CZSVLVLEHNSXOE-VHSXEESVSA-N 1 2 266.370 1.164 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H](C#N)C1 ZINC000925609736 617554214 /nfs/dbraw/zinc/55/42/14/617554214.db2.gz AQIBXLMYVPKQEW-UONOGXRCSA-N 1 2 294.399 1.042 20 30 CDEDLO CCc1cnc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC000967941948 615707598 /nfs/dbraw/zinc/70/75/98/615707598.db2.gz BBMRJDWHPCANAL-WDEREUQCSA-N 1 2 276.340 1.087 20 30 CDEDLO N#CCC1C[NH+](C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000849327888 617819508 /nfs/dbraw/zinc/81/95/08/617819508.db2.gz WQUCZTKYSASDTL-ZDUSSCGKSA-N 1 2 252.264 1.844 20 30 CDEDLO C#C[C@H]([NH2+]Cc1ccnc(OC)c1F)[C@H]1CCCO1 ZINC000893677398 617831273 /nfs/dbraw/zinc/83/12/73/617831273.db2.gz SYWXVEXFDSUTAJ-NWDGAFQWSA-N 1 2 264.300 1.500 20 30 CDEDLO C=CCOC[C@H]([NH2+]Cc1cccc2[nH+]ccn21)C(=O)[O-] ZINC000901808393 618259147 /nfs/dbraw/zinc/25/91/47/618259147.db2.gz FAOGAIYAOBOISD-LBPRGKRZSA-N 1 2 275.308 1.080 20 30 CDEDLO C#CCCCS(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000786976370 618368711 /nfs/dbraw/zinc/36/87/11/618368711.db2.gz VKUUOGKPMKGGOX-UHFFFAOYSA-N 1 2 277.349 1.167 20 30 CDEDLO C#CC[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000888173438 620809876 /nfs/dbraw/zinc/80/98/76/620809876.db2.gz KMWDRFQFYVPJDY-RRFJBIMHSA-N 1 2 293.411 1.150 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](Nc2nccnc2Cl)C1 ZINC000895201272 619452574 /nfs/dbraw/zinc/45/25/74/619452574.db2.gz MVFGBNJSZTVZMO-JTQLQIEISA-N 1 2 250.733 1.640 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](Nc2nccnc2Cl)C1 ZINC000895201272 619452576 /nfs/dbraw/zinc/45/25/76/619452576.db2.gz MVFGBNJSZTVZMO-JTQLQIEISA-N 1 2 250.733 1.640 20 30 CDEDLO Cn1ncc(C#N)c1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895349764 619593189 /nfs/dbraw/zinc/59/31/89/619593189.db2.gz NGQPOMNHYSEIKV-UHFFFAOYSA-N 1 2 282.351 1.768 20 30 CDEDLO N#Cc1ccc(N2CCC(Nc3cccc[nH+]3)CC2)nn1 ZINC000895349136 619593266 /nfs/dbraw/zinc/59/32/66/619593266.db2.gz JAMUAYCKXYHUFX-UHFFFAOYSA-N 1 2 280.335 1.824 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)Nc1cnccc1C#N ZINC000895801860 619851796 /nfs/dbraw/zinc/85/17/96/619851796.db2.gz UQMXNPHFEDGQPV-CYBMUJFWSA-N 1 2 260.341 1.476 20 30 CDEDLO Cc1cn(C(C)(C)C(=O)NC2CCN(CC#N)CC2)c[nH+]1 ZINC000896243619 620033978 /nfs/dbraw/zinc/03/39/78/620033978.db2.gz IKBCBPNSDDHKJJ-UHFFFAOYSA-N 1 2 289.383 1.031 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896921369 620309812 /nfs/dbraw/zinc/30/98/12/620309812.db2.gz LGOGUSMNFIQSFO-NSHDSACASA-N 1 2 251.330 1.624 20 30 CDEDLO CC(C)CN(CCC#N)C(=O)CNc1cccc[nH+]1 ZINC000900401687 623004477 /nfs/dbraw/zinc/00/44/77/623004477.db2.gz GJIQUTNGUKVKTC-UHFFFAOYSA-N 1 2 260.341 1.892 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2c(O)cccc2OC)CC1 ZINC000900474311 623150244 /nfs/dbraw/zinc/15/02/44/623150244.db2.gz OKJURLTUDUPCBN-UHFFFAOYSA-N 1 2 288.347 1.182 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1CCN(Cc2cccc(F)c2)C1=O ZINC000902244050 624601937 /nfs/dbraw/zinc/60/19/37/624601937.db2.gz PSBJEGWZYZZKAA-CYBMUJFWSA-N 1 2 289.354 1.974 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1CCN(Cc2cccc(F)c2)C1=O ZINC000902244050 624601939 /nfs/dbraw/zinc/60/19/39/624601939.db2.gz PSBJEGWZYZZKAA-CYBMUJFWSA-N 1 2 289.354 1.974 20 30 CDEDLO N#C[C@H]1CCCN(C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000914154280 631071726 /nfs/dbraw/zinc/07/17/26/631071726.db2.gz ZGOUQOMLEDIZDK-CYBMUJFWSA-N 1 2 287.367 1.829 20 30 CDEDLO N#CCC[NH2+]CCS(=O)(=O)CCc1ccccc1 ZINC000819290001 678996517 /nfs/dbraw/zinc/99/65/17/678996517.db2.gz BCKFCORLBCWSEH-UHFFFAOYSA-N 1 2 266.366 1.147 20 30 CDEDLO CC(C)(C)C#CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000837440671 679141849 /nfs/dbraw/zinc/14/18/49/679141849.db2.gz MSOBCUMGEBYKAB-CQSZACIVSA-N 1 2 278.396 1.359 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2CC[C@@H](C)O2)C1 ZINC001030896369 679376649 /nfs/dbraw/zinc/37/66/49/679376649.db2.gz VANIXQLPTBCPQT-YPMHNXCESA-N 1 2 252.358 1.321 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)nc1C ZINC001032798455 677727732 /nfs/dbraw/zinc/72/77/32/677727732.db2.gz CCTLADWNTMLZPI-GJZGRUSLSA-N 1 2 283.375 1.620 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)nc1C ZINC001032798455 677727735 /nfs/dbraw/zinc/72/77/35/677727735.db2.gz CCTLADWNTMLZPI-GJZGRUSLSA-N 1 2 283.375 1.620 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccn3cc(C)nc3c2)C1 ZINC001030953625 677756350 /nfs/dbraw/zinc/75/63/50/677756350.db2.gz GIVQRXYXZNFFKW-UHFFFAOYSA-N 1 2 282.347 1.080 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000929339618 677824866 /nfs/dbraw/zinc/82/48/66/677824866.db2.gz DBRRPGMJFHJFGS-ZDUSSCGKSA-N 1 2 268.401 1.816 20 30 CDEDLO C#Cc1ccc(NC(=O)[C@@H]2C[N@H+](C)CCO2)c(Cl)c1 ZINC000885673284 677788360 /nfs/dbraw/zinc/78/83/60/677788360.db2.gz HCJBAFBVOMETAF-ZDUSSCGKSA-N 1 2 278.739 1.590 20 30 CDEDLO C#Cc1ccc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)c(Cl)c1 ZINC000885673284 677788363 /nfs/dbraw/zinc/78/83/63/677788363.db2.gz HCJBAFBVOMETAF-ZDUSSCGKSA-N 1 2 278.739 1.590 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCCO[C@H]2C)C1 ZINC001042660048 677788367 /nfs/dbraw/zinc/78/83/67/677788367.db2.gz BTQIIUBNHDPSBC-AAEUAGOBSA-N 1 2 252.358 1.130 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c2ccc(F)cc21 ZINC001032819167 677794623 /nfs/dbraw/zinc/79/46/23/677794623.db2.gz LZMLZSNYHBHYQQ-STQMWFEESA-N 1 2 297.333 1.839 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c2ccc(F)cc21 ZINC001032819167 677794627 /nfs/dbraw/zinc/79/46/27/677794627.db2.gz LZMLZSNYHBHYQQ-STQMWFEESA-N 1 2 297.333 1.839 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(C)s1 ZINC001018305446 677823259 /nfs/dbraw/zinc/82/32/59/677823259.db2.gz XRBJYPWVPQHEDY-OKILXGFUSA-N 1 2 288.416 1.907 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(C)s1 ZINC001018305446 677823262 /nfs/dbraw/zinc/82/32/62/677823262.db2.gz XRBJYPWVPQHEDY-OKILXGFUSA-N 1 2 288.416 1.907 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@]2(C)CCCOC2)C1 ZINC001044100546 677823282 /nfs/dbraw/zinc/82/32/82/677823282.db2.gz QRCJCWJWCTYQRM-OAHLLOKOSA-N 1 2 266.385 1.522 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](Nc2nnc(COC)s2)C1 ZINC000884612767 677827195 /nfs/dbraw/zinc/82/71/95/677827195.db2.gz TUGQQYYLCNWOTD-SNVBAGLBSA-N 1 2 266.370 1.194 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](Nc2nnc(COC)s2)C1 ZINC000884612767 677827196 /nfs/dbraw/zinc/82/71/96/677827196.db2.gz TUGQQYYLCNWOTD-SNVBAGLBSA-N 1 2 266.370 1.194 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001014758273 677814423 /nfs/dbraw/zinc/81/44/23/677814423.db2.gz VEIVLZGCXJORCR-SECBINFHSA-N 1 2 280.759 1.063 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001014758273 677814426 /nfs/dbraw/zinc/81/44/26/677814426.db2.gz VEIVLZGCXJORCR-SECBINFHSA-N 1 2 280.759 1.063 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(F)c(C)c2)C1 ZINC001030879282 677815314 /nfs/dbraw/zinc/81/53/14/677815314.db2.gz JLNFMLRVDVQKQQ-UHFFFAOYSA-N 1 2 260.312 1.571 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2occc2C)C1 ZINC001035282591 677907157 /nfs/dbraw/zinc/90/71/57/677907157.db2.gz XJRMPMVCPSYETA-ZDUSSCGKSA-N 1 2 278.352 1.595 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2occc2C)C1 ZINC001035282591 677907159 /nfs/dbraw/zinc/90/71/59/677907159.db2.gz XJRMPMVCPSYETA-ZDUSSCGKSA-N 1 2 278.352 1.595 20 30 CDEDLO COC(=O)[C@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)C(C)C ZINC000886127116 677849154 /nfs/dbraw/zinc/84/91/54/677849154.db2.gz BOAJTHZHSMMQGF-VXGBXAGGSA-N 1 2 268.357 1.218 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCC[C@@H]1CCCC ZINC000884122792 677856516 /nfs/dbraw/zinc/85/65/16/677856516.db2.gz ZMCHVFHHRSKSDV-IHRRRGAJSA-N 1 2 296.411 1.908 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccnc1OC(C)C ZINC001039090385 677870202 /nfs/dbraw/zinc/87/02/02/677870202.db2.gz ZGIFJGLEMXDYQE-CYBMUJFWSA-N 1 2 287.363 1.306 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccnc1OC(C)C ZINC001039090385 677870205 /nfs/dbraw/zinc/87/02/05/677870205.db2.gz ZGIFJGLEMXDYQE-CYBMUJFWSA-N 1 2 287.363 1.306 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ocnc2CC)C1 ZINC001035501948 677879814 /nfs/dbraw/zinc/87/98/14/677879814.db2.gz ZOXXMPDMHBTZQH-GFCCVEGCSA-N 1 2 293.367 1.244 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ocnc2CC)C1 ZINC001035501948 677879816 /nfs/dbraw/zinc/87/98/16/677879816.db2.gz ZOXXMPDMHBTZQH-GFCCVEGCSA-N 1 2 293.367 1.244 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CCCOC2)C1 ZINC001015911728 677965422 /nfs/dbraw/zinc/96/54/22/677965422.db2.gz SVTVPVDJRPDJTR-JSGCOSHPSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CCCOC2)C1 ZINC001015911728 677965423 /nfs/dbraw/zinc/96/54/23/677965423.db2.gz SVTVPVDJRPDJTR-JSGCOSHPSA-N 1 2 286.803 1.746 20 30 CDEDLO CN(Cc1cccc(C#N)c1)C(=O)Cc1[nH]cc[nH+]1 ZINC000816858056 677953313 /nfs/dbraw/zinc/95/33/13/677953313.db2.gz ZNLOJDIJTLOCKP-UHFFFAOYSA-N 1 2 254.293 1.482 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(N(C)C)cn2)C1 ZINC001031453896 677955013 /nfs/dbraw/zinc/95/50/13/677955013.db2.gz JVDCRBYISGVDBY-UHFFFAOYSA-N 1 2 274.368 1.138 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccnc1C1CC1 ZINC001038464291 677957940 /nfs/dbraw/zinc/95/79/40/677957940.db2.gz DLZQYNLMLIOAPV-ZDUSSCGKSA-N 1 2 269.348 1.396 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccnc1C1CC1 ZINC001038464291 677957944 /nfs/dbraw/zinc/95/79/44/677957944.db2.gz DLZQYNLMLIOAPV-ZDUSSCGKSA-N 1 2 269.348 1.396 20 30 CDEDLO Cc1noc(C)c1CN1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801931159 677961359 /nfs/dbraw/zinc/96/13/59/677961359.db2.gz REEIAYYQENFMHP-GFCCVEGCSA-N 1 2 292.383 1.338 20 30 CDEDLO C=CCN(CC=C)C(=O)CO[NH+]=C(N)c1ccccc1 ZINC000072807309 677962618 /nfs/dbraw/zinc/96/26/18/677962618.db2.gz YMAIGCLNFNDSGW-UHFFFAOYSA-N 1 2 273.336 1.524 20 30 CDEDLO C[C@H](CC(=O)N1CCC(N(C)CC#N)CC1)n1cc[nH+]c1 ZINC000985682301 678028604 /nfs/dbraw/zinc/02/86/04/678028604.db2.gz RAIGWIMJUHKQPK-CYBMUJFWSA-N 1 2 289.383 1.281 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2c(C)cnn2C)C1 ZINC001033339270 678028671 /nfs/dbraw/zinc/02/86/71/678028671.db2.gz RPGBFIXWQLHABL-LBPRGKRZSA-N 1 2 296.802 1.627 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2c(C)cnn2C)C1 ZINC001033339270 678028675 /nfs/dbraw/zinc/02/86/75/678028675.db2.gz RPGBFIXWQLHABL-LBPRGKRZSA-N 1 2 296.802 1.627 20 30 CDEDLO C=CCC[N@@H+](C)CN1C(=O)c2cccc(N)c2C1=O ZINC000786101134 678075663 /nfs/dbraw/zinc/07/56/63/678075663.db2.gz JMHZEBMUEWSCQQ-UHFFFAOYSA-N 1 2 259.309 1.330 20 30 CDEDLO C=CCC[N@H+](C)CN1C(=O)c2cccc(N)c2C1=O ZINC000786101134 678075665 /nfs/dbraw/zinc/07/56/65/678075665.db2.gz JMHZEBMUEWSCQQ-UHFFFAOYSA-N 1 2 259.309 1.330 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C)n2cccc2)C1 ZINC001042621479 678082183 /nfs/dbraw/zinc/08/21/83/678082183.db2.gz DTYBSCREZSHZSP-ZDUSSCGKSA-N 1 2 261.369 1.768 20 30 CDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cccnc2)CC1 ZINC001004332779 678085969 /nfs/dbraw/zinc/08/59/69/678085969.db2.gz JBDBUORUOWQFRL-MRXNPFEDSA-N 1 2 298.390 1.922 20 30 CDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cccnc2)CC1 ZINC001004332779 678085971 /nfs/dbraw/zinc/08/59/71/678085971.db2.gz JBDBUORUOWQFRL-MRXNPFEDSA-N 1 2 298.390 1.922 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn2ccnc2c1 ZINC001038510355 678105981 /nfs/dbraw/zinc/10/59/81/678105981.db2.gz MPZFXRHMKHCLDO-AWEZNQCLSA-N 1 2 282.347 1.162 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccn2ccnc2c1 ZINC001038510355 678105983 /nfs/dbraw/zinc/10/59/83/678105983.db2.gz MPZFXRHMKHCLDO-AWEZNQCLSA-N 1 2 282.347 1.162 20 30 CDEDLO CCC(=[NH+]N(C)C(=S)NC)c1ccc(N)cc1 ZINC000863119526 678124733 /nfs/dbraw/zinc/12/47/33/678124733.db2.gz DHGSDPNKVMOGCC-UHFFFAOYSA-N 1 2 250.371 1.819 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1[C@H](C)CC[C@@H]1CC ZINC000884329611 678165386 /nfs/dbraw/zinc/16/53/86/678165386.db2.gz QVXHVXXMRKAZMS-WOPDTQHZSA-N 1 2 268.357 1.223 20 30 CDEDLO Cc1ccc(C(=O)N[C@H](C)C[NH+]2CCOCC2)cc1C#N ZINC000799560998 678168564 /nfs/dbraw/zinc/16/85/64/678168564.db2.gz RRRPNKIHZKGFSL-CYBMUJFWSA-N 1 2 287.363 1.317 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn3ccc(C)cc23)C1 ZINC001042987315 678171180 /nfs/dbraw/zinc/17/11/80/678171180.db2.gz GJHRSXWNOAKQCZ-UHFFFAOYSA-N 1 2 296.374 1.422 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cn(C)cn2)C1 ZINC001046238139 678173377 /nfs/dbraw/zinc/17/33/77/678173377.db2.gz DOGQCMXAZVLJOA-CYBMUJFWSA-N 1 2 282.775 1.367 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cn(C)cn2)C1 ZINC001046238139 678173380 /nfs/dbraw/zinc/17/33/80/678173380.db2.gz DOGQCMXAZVLJOA-CYBMUJFWSA-N 1 2 282.775 1.367 20 30 CDEDLO Cc1ncccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 ZINC001032397992 678194201 /nfs/dbraw/zinc/19/42/01/678194201.db2.gz QVKYUEHZHXYWHZ-IRXDYDNUSA-N 1 2 295.386 1.589 20 30 CDEDLO Cc1ncccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 ZINC001032397992 678194202 /nfs/dbraw/zinc/19/42/02/678194202.db2.gz QVKYUEHZHXYWHZ-IRXDYDNUSA-N 1 2 295.386 1.589 20 30 CDEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865919699 678221647 /nfs/dbraw/zinc/22/16/47/678221647.db2.gz HYAYLNDHHUEYKX-LDAMZSCKSA-N 1 2 291.395 1.463 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(Cl)cn2C)C1 ZINC001030644725 679671180 /nfs/dbraw/zinc/67/11/80/679671180.db2.gz HWOPFOBPYGFXAS-UHFFFAOYSA-N 1 2 267.760 1.669 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC001010407000 679676059 /nfs/dbraw/zinc/67/60/59/679676059.db2.gz IHGZSDGXRYSJJN-RYUDHWBXSA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC001010407000 679676063 /nfs/dbraw/zinc/67/60/63/679676063.db2.gz IHGZSDGXRYSJJN-RYUDHWBXSA-N 1 2 272.776 1.356 20 30 CDEDLO CN(C)c1c(C=[NH+]N2CCOCC2)ccc(F)c1F ZINC000863065611 679678902 /nfs/dbraw/zinc/67/89/02/679678902.db2.gz AMTDPRPBSBTIIA-UHFFFAOYSA-N 1 2 269.295 1.697 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2[nH]ccc2c1 ZINC001032462415 679680487 /nfs/dbraw/zinc/68/04/87/679680487.db2.gz ORRWTPDKNCVYOS-KBPBESRZSA-N 1 2 280.331 1.046 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2[nH]ccc2c1 ZINC001032462415 679680489 /nfs/dbraw/zinc/68/04/89/679680489.db2.gz ORRWTPDKNCVYOS-KBPBESRZSA-N 1 2 280.331 1.046 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cn3cccc(C)c3n2)C1 ZINC001031102555 679692976 /nfs/dbraw/zinc/69/29/76/679692976.db2.gz FGXGNCDOVJUUND-UHFFFAOYSA-N 1 2 298.390 1.562 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(CC)n[nH]2)C1 ZINC001046153484 679694134 /nfs/dbraw/zinc/69/41/34/679694134.db2.gz UCOGNNMZIVBSDG-CQSZACIVSA-N 1 2 296.802 1.919 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(CC)n[nH]2)C1 ZINC001046153484 679694136 /nfs/dbraw/zinc/69/41/36/679694136.db2.gz UCOGNNMZIVBSDG-CQSZACIVSA-N 1 2 296.802 1.919 20 30 CDEDLO C#CC[N@@H+](CC#CC)C[C@@H]1CN(c2ccccc2)CCO1 ZINC000846808003 677718380 /nfs/dbraw/zinc/71/83/80/677718380.db2.gz YFTMKNSJQSYTIV-GOSISDBHSA-N 1 2 282.387 1.850 20 30 CDEDLO C#CC[N@H+](CC#CC)C[C@@H]1CN(c2ccccc2)CCO1 ZINC000846808003 677718383 /nfs/dbraw/zinc/71/83/83/677718383.db2.gz YFTMKNSJQSYTIV-GOSISDBHSA-N 1 2 282.387 1.850 20 30 CDEDLO N#CCC1(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000797565931 677728285 /nfs/dbraw/zinc/72/82/85/677728285.db2.gz MWFAFQOZCFIAKF-ZDUSSCGKSA-N 1 2 287.367 1.923 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)CC1CCC1)CO2 ZINC001053765544 677733910 /nfs/dbraw/zinc/73/39/10/677733910.db2.gz QVDJPSNNFIUSKX-CQSZACIVSA-N 1 2 278.396 1.712 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(OCCC)c2)C1 ZINC001030396139 677762026 /nfs/dbraw/zinc/76/20/26/677762026.db2.gz BETVGMDYVYYLEQ-UHFFFAOYSA-N 1 2 286.375 1.913 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)nn2CC)C1 ZINC001015740914 677929663 /nfs/dbraw/zinc/92/96/63/677929663.db2.gz FAPXLXABHKFRSV-GFCCVEGCSA-N 1 2 296.802 1.768 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)nn2CC)C1 ZINC001015740914 677929666 /nfs/dbraw/zinc/92/96/66/677929666.db2.gz FAPXLXABHKFRSV-GFCCVEGCSA-N 1 2 296.802 1.768 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2cnccc2n1 ZINC001038747899 677980151 /nfs/dbraw/zinc/98/01/51/677980151.db2.gz AFBBQRHAUPUONI-AWEZNQCLSA-N 1 2 294.358 1.457 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2cnccc2n1 ZINC001038747899 677980153 /nfs/dbraw/zinc/98/01/53/677980153.db2.gz AFBBQRHAUPUONI-AWEZNQCLSA-N 1 2 294.358 1.457 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N=C3C[C@@H](C)ON3)ccn12 ZINC000847624486 678046260 /nfs/dbraw/zinc/04/62/60/678046260.db2.gz RQEINBLSUPAKSM-SECBINFHSA-N 1 2 258.281 1.495 20 30 CDEDLO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1nnnn1C1CC1 ZINC000792475114 678047141 /nfs/dbraw/zinc/04/71/41/678047141.db2.gz VDIHAAFLSRHZEK-NSHDSACASA-N 1 2 282.351 1.925 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCC[C@H]2C(F)F)C1 ZINC001030439458 678081391 /nfs/dbraw/zinc/08/13/91/678081391.db2.gz DUDHYQAHVBUTLY-NEPJUHHUSA-N 1 2 270.323 1.492 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC13CC3)CO2 ZINC001053937206 678127731 /nfs/dbraw/zinc/12/77/31/678127731.db2.gz AJADPFAEGFPIDZ-OLZOCXBDSA-N 1 2 276.380 1.322 20 30 CDEDLO N#CCN[C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001034671290 678135280 /nfs/dbraw/zinc/13/52/80/678135280.db2.gz LTPRSABQHRMTPM-JOCQHMNTSA-N 1 2 297.362 1.717 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cnoc2)[C@H]1C ZINC000993713249 678163262 /nfs/dbraw/zinc/16/32/62/678163262.db2.gz CINIYXBBWQUFAB-YPMHNXCESA-N 1 2 297.786 1.939 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cnoc2)[C@H]1C ZINC000993713249 678163264 /nfs/dbraw/zinc/16/32/64/678163264.db2.gz CINIYXBBWQUFAB-YPMHNXCESA-N 1 2 297.786 1.939 20 30 CDEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000821323477 678175343 /nfs/dbraw/zinc/17/53/43/678175343.db2.gz YRCIAHXFDSSDLV-SECBINFHSA-N 1 2 261.163 1.448 20 30 CDEDLO C=C(Br)C[N@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000821323477 678175344 /nfs/dbraw/zinc/17/53/44/678175344.db2.gz YRCIAHXFDSSDLV-SECBINFHSA-N 1 2 261.163 1.448 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001017749315 678223585 /nfs/dbraw/zinc/22/35/85/678223585.db2.gz ZPKRJEVOCNOFDS-JONQDZQNSA-N 1 2 272.392 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001017749315 678223587 /nfs/dbraw/zinc/22/35/87/678223587.db2.gz ZPKRJEVOCNOFDS-JONQDZQNSA-N 1 2 272.392 1.731 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2cnc(C)o2)C1 ZINC001042909706 678225756 /nfs/dbraw/zinc/22/57/56/678225756.db2.gz XMYBDCBYXHYVPI-UHFFFAOYSA-N 1 2 263.341 1.244 20 30 CDEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cnn(C)n2)c1 ZINC000815126118 678272905 /nfs/dbraw/zinc/27/29/05/678272905.db2.gz HEJURUUVDMUKDU-AWEZNQCLSA-N 1 2 285.351 1.786 20 30 CDEDLO N#Cc1cc([N+](=O)[O-])ccc1N1CCc2[nH+]c[nH]c2C1 ZINC000820581396 678287698 /nfs/dbraw/zinc/28/76/98/678287698.db2.gz SRAQSSJFDQFKGC-UHFFFAOYSA-N 1 2 269.264 1.752 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2=CCOCC2)C1 ZINC001033034446 678299091 /nfs/dbraw/zinc/29/90/91/678299091.db2.gz ASROUEZMDXMXKJ-ZDUSSCGKSA-N 1 2 284.787 1.618 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2=CCOCC2)C1 ZINC001033034446 678299094 /nfs/dbraw/zinc/29/90/94/678299094.db2.gz ASROUEZMDXMXKJ-ZDUSSCGKSA-N 1 2 284.787 1.618 20 30 CDEDLO COc1cc(C#N)ccc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000933297925 678319535 /nfs/dbraw/zinc/31/95/35/678319535.db2.gz CEGQPNFYTCMLHG-LBPRGKRZSA-N 1 2 298.346 1.829 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccoc1 ZINC001017462428 678350371 /nfs/dbraw/zinc/35/03/71/678350371.db2.gz QVMFNNUICAJEFQ-GASCZTMLSA-N 1 2 272.348 1.521 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccoc1 ZINC001017462428 678350373 /nfs/dbraw/zinc/35/03/73/678350373.db2.gz QVMFNNUICAJEFQ-GASCZTMLSA-N 1 2 272.348 1.521 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001043201906 678356722 /nfs/dbraw/zinc/35/67/22/678356722.db2.gz OAWMIGKLRIAPPV-UHFFFAOYSA-N 1 2 288.395 1.487 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)C)nn1CC ZINC001038456854 678402853 /nfs/dbraw/zinc/40/28/53/678402853.db2.gz QBANNXUTKCLMKN-CYBMUJFWSA-N 1 2 288.395 1.464 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)C)nn1CC ZINC001038456854 678402857 /nfs/dbraw/zinc/40/28/57/678402857.db2.gz QBANNXUTKCLMKN-CYBMUJFWSA-N 1 2 288.395 1.464 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCCCC(=O)C2)CC1 ZINC000813432939 678408156 /nfs/dbraw/zinc/40/81/56/678408156.db2.gz YKBRFALOSJMSAC-HNNXBMFYSA-N 1 2 290.407 1.693 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C)N2CCCCC2=O)C1 ZINC001044330465 678423523 /nfs/dbraw/zinc/42/35/23/678423523.db2.gz BUGGODGNFWUOAT-ZDUSSCGKSA-N 1 2 293.411 1.106 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C(C)(C)C2CCOCC2)C1 ZINC001030648225 678427800 /nfs/dbraw/zinc/42/78/00/678427800.db2.gz OLLMXPBFVPELDF-UHFFFAOYSA-N 1 2 280.412 1.816 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3c(c2)nc[nH]c3=O)C1 ZINC001031395205 678428050 /nfs/dbraw/zinc/42/80/50/678428050.db2.gz YXBCUVPMBFMQJR-UHFFFAOYSA-N 1 2 298.346 1.326 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C1CC(C)(C)C1 ZINC001050902786 678433706 /nfs/dbraw/zinc/43/37/06/678433706.db2.gz KVCJFUPKSVPWQH-AWEZNQCLSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CC(C)(C)C1 ZINC001050902786 678433707 /nfs/dbraw/zinc/43/37/07/678433707.db2.gz KVCJFUPKSVPWQH-AWEZNQCLSA-N 1 2 280.412 1.816 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C)nc(C)n2)C1 ZINC001044045664 678442909 /nfs/dbraw/zinc/44/29/09/678442909.db2.gz OCOLJRBVQIIQQE-UHFFFAOYSA-N 1 2 274.368 1.426 20 30 CDEDLO C#CC[NH+]1CCC(C)(NC(=O)c2[nH]nc(C)c2C)CC1 ZINC001045390187 678443641 /nfs/dbraw/zinc/44/36/41/678443641.db2.gz UOJHGFKJKZBAOV-UHFFFAOYSA-N 1 2 274.368 1.244 20 30 CDEDLO CN(C)c1ncc(C=[NH+]NCCC(F)(F)F)cn1 ZINC000814920595 678450180 /nfs/dbraw/zinc/45/01/80/678450180.db2.gz RBJPIMDGGVBNAL-UHFFFAOYSA-N 1 2 261.251 1.419 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)[nH]1 ZINC001032613782 678469911 /nfs/dbraw/zinc/46/99/11/678469911.db2.gz UWJISZPGPUQIDB-UWVGGRQHSA-N 1 2 263.728 1.200 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)[nH]1 ZINC001032613782 678469914 /nfs/dbraw/zinc/46/99/14/678469914.db2.gz UWJISZPGPUQIDB-UWVGGRQHSA-N 1 2 263.728 1.200 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+](CC(=C)C)CCO2)cc1 ZINC001035472111 678492503 /nfs/dbraw/zinc/49/25/03/678492503.db2.gz XZIRDUAFCSBMFV-KRWDZBQOSA-N 1 2 298.386 1.675 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](CC(=C)C)CCO2)cc1 ZINC001035472111 678492506 /nfs/dbraw/zinc/49/25/06/678492506.db2.gz XZIRDUAFCSBMFV-KRWDZBQOSA-N 1 2 298.386 1.675 20 30 CDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)C2CC2)C1 ZINC001031508415 678562340 /nfs/dbraw/zinc/56/23/40/678562340.db2.gz DFABCWZSCXNEKK-UHFFFAOYSA-N 1 2 269.348 1.516 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc3cccn3cn2)CC1 ZINC000931347860 678585174 /nfs/dbraw/zinc/58/51/74/678585174.db2.gz XBNQKFDSLICWJS-UHFFFAOYSA-N 1 2 282.347 1.115 20 30 CDEDLO C#CC[NH+]1CCC(CNC(=O)c2[nH]nc(C)c2C)CC1 ZINC001001266352 678591462 /nfs/dbraw/zinc/59/14/62/678591462.db2.gz XBMZINYPIMSWDM-UHFFFAOYSA-N 1 2 274.368 1.102 20 30 CDEDLO Cc1cc(C)c(C(=O)N[C@@H]2CCCN(CC#N)C2)c(C)[nH+]1 ZINC001008006680 678610979 /nfs/dbraw/zinc/61/09/79/678610979.db2.gz HHXVEDHQCQZMIV-CQSZACIVSA-N 1 2 286.379 1.725 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)cn2C)C1 ZINC001035440855 678617154 /nfs/dbraw/zinc/61/71/54/678617154.db2.gz VGDVJZJLPIAJJX-LBPRGKRZSA-N 1 2 297.786 1.295 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)cn2C)C1 ZINC001035440855 678617155 /nfs/dbraw/zinc/61/71/55/678617155.db2.gz VGDVJZJLPIAJJX-LBPRGKRZSA-N 1 2 297.786 1.295 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccnn1 ZINC001028221812 678629862 /nfs/dbraw/zinc/62/98/62/678629862.db2.gz OWZMKZGPOMXEAV-NSHDSACASA-N 1 2 280.759 1.423 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cccnn1 ZINC001028221812 678629865 /nfs/dbraw/zinc/62/98/65/678629865.db2.gz OWZMKZGPOMXEAV-NSHDSACASA-N 1 2 280.759 1.423 20 30 CDEDLO C#CC1CC[NH+](CN2Cc3c(cccc3OC)C2=O)CC1 ZINC000863270345 678635857 /nfs/dbraw/zinc/63/58/57/678635857.db2.gz MVFRAQVNLIRVDO-UHFFFAOYSA-N 1 2 284.359 1.954 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cncc(OC(C)C)c2)C1 ZINC001030789168 678652925 /nfs/dbraw/zinc/65/29/25/678652925.db2.gz UCMUABRHOPFQOI-UHFFFAOYSA-N 1 2 287.363 1.306 20 30 CDEDLO Cc1nnc(C[N@H+](C)C[C@H](O)c2ccc(C#N)cc2)o1 ZINC000844362205 678659469 /nfs/dbraw/zinc/65/94/69/678659469.db2.gz UNBIVJLYXROBLZ-ZDUSSCGKSA-N 1 2 272.308 1.415 20 30 CDEDLO Cc1nnc(C[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)o1 ZINC000844362205 678659470 /nfs/dbraw/zinc/65/94/70/678659470.db2.gz UNBIVJLYXROBLZ-ZDUSSCGKSA-N 1 2 272.308 1.415 20 30 CDEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(CCO)CC2)cc1 ZINC000305195884 678665187 /nfs/dbraw/zinc/66/51/87/678665187.db2.gz LHYSIXDTRCOIRA-AWEZNQCLSA-N 1 2 289.379 1.087 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CCOCC2)C1 ZINC001009879437 678676167 /nfs/dbraw/zinc/67/61/67/678676167.db2.gz CRZVHYRMLLCOLT-GFCCVEGCSA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CCOCC2)C1 ZINC001009879437 678676170 /nfs/dbraw/zinc/67/61/70/678676170.db2.gz CRZVHYRMLLCOLT-GFCCVEGCSA-N 1 2 272.776 1.356 20 30 CDEDLO CSCCO[NH+]=C1CCCc2nc(N)ncc21 ZINC000814921876 678682045 /nfs/dbraw/zinc/68/20/45/678682045.db2.gz HSAKNMULGKYMOY-UHFFFAOYSA-N 1 2 252.343 1.479 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C(C)(C)C)C2)C1 ZINC000972435066 678683578 /nfs/dbraw/zinc/68/35/78/678683578.db2.gz LKHQPYOTGDDDKY-YOEHRIQHSA-N 1 2 292.423 1.605 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C(C)(C)C)C2)C1 ZINC000972435066 678683580 /nfs/dbraw/zinc/68/35/80/678683580.db2.gz LKHQPYOTGDDDKY-YOEHRIQHSA-N 1 2 292.423 1.605 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1OCC ZINC001032822763 678718061 /nfs/dbraw/zinc/71/80/61/678718061.db2.gz AXMURCBNTRSKCL-KBPBESRZSA-N 1 2 299.374 1.402 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1OCC ZINC001032822763 678718066 /nfs/dbraw/zinc/71/80/66/678718066.db2.gz AXMURCBNTRSKCL-KBPBESRZSA-N 1 2 299.374 1.402 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1ccc(F)cc1 ZINC001032776391 678736811 /nfs/dbraw/zinc/73/68/11/678736811.db2.gz FPYQOYQSWYAVTF-KBPBESRZSA-N 1 2 288.322 1.123 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1ccc(F)cc1 ZINC001032776391 678736813 /nfs/dbraw/zinc/73/68/13/678736813.db2.gz FPYQOYQSWYAVTF-KBPBESRZSA-N 1 2 288.322 1.123 20 30 CDEDLO C=C(Cl)CN1CC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001044188496 678750592 /nfs/dbraw/zinc/75/05/92/678750592.db2.gz KMOITVFMCPTBKZ-UHFFFAOYSA-N 1 2 296.802 1.582 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3CC[C@H](NCC#N)[C@H]3C)ccn12 ZINC000986281302 678774702 /nfs/dbraw/zinc/77/47/02/678774702.db2.gz OMMNESUGUWCPEF-OCCSQVGLSA-N 1 2 297.362 1.359 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2n[nH]nc21 ZINC001032419242 678775229 /nfs/dbraw/zinc/77/52/29/678775229.db2.gz QIFRXSGQOHTPLE-RYUDHWBXSA-N 1 2 297.362 1.433 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2n[nH]nc21 ZINC001032419242 678775232 /nfs/dbraw/zinc/77/52/32/678775232.db2.gz QIFRXSGQOHTPLE-RYUDHWBXSA-N 1 2 297.362 1.433 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2nn[nH]c21 ZINC001032419242 678775237 /nfs/dbraw/zinc/77/52/37/678775237.db2.gz QIFRXSGQOHTPLE-RYUDHWBXSA-N 1 2 297.362 1.433 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2nn[nH]c21 ZINC001032419242 678775240 /nfs/dbraw/zinc/77/52/40/678775240.db2.gz QIFRXSGQOHTPLE-RYUDHWBXSA-N 1 2 297.362 1.433 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879695748 678775264 /nfs/dbraw/zinc/77/52/64/678775264.db2.gz OWVOBGWWQTYXRM-BETUJISGSA-N 1 2 280.755 1.244 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879695748 678775267 /nfs/dbraw/zinc/77/52/67/678775267.db2.gz OWVOBGWWQTYXRM-BETUJISGSA-N 1 2 280.755 1.244 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1cnc(C)s1 ZINC000884460561 678784177 /nfs/dbraw/zinc/78/41/77/678784177.db2.gz DIQZNFLWZPRBOG-WPRPVWTQSA-N 1 2 297.380 1.075 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccccc2COC)C1 ZINC001044037071 678791507 /nfs/dbraw/zinc/79/15/07/678791507.db2.gz AYNSHJJKFSTXKI-UHFFFAOYSA-N 1 2 288.391 1.704 20 30 CDEDLO CCCCCCCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000858141479 678832695 /nfs/dbraw/zinc/83/26/95/678832695.db2.gz OSXZANNAPDPYDB-CQSZACIVSA-N 1 2 285.432 1.977 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2nncc3ccccc32)C1 ZINC001030660181 678843784 /nfs/dbraw/zinc/84/37/84/678843784.db2.gz XNZSCSMGXZGBKI-UHFFFAOYSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1[nH]nc2ccc(C)cc21 ZINC001038454030 678850198 /nfs/dbraw/zinc/85/01/98/678850198.db2.gz DGJWVQRQEHLADW-LBPRGKRZSA-N 1 2 282.347 1.309 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1[nH]nc2ccc(C)cc21 ZINC001038454030 678850202 /nfs/dbraw/zinc/85/02/02/678850202.db2.gz DGJWVQRQEHLADW-LBPRGKRZSA-N 1 2 282.347 1.309 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cc(C)on2)C1 ZINC001010372697 678855499 /nfs/dbraw/zinc/85/54/99/678855499.db2.gz GORIJNWPZGHRRD-NSHDSACASA-N 1 2 283.759 1.469 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cc(C)on2)C1 ZINC001010372697 678855500 /nfs/dbraw/zinc/85/55/00/678855500.db2.gz GORIJNWPZGHRRD-NSHDSACASA-N 1 2 283.759 1.469 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNc2nc3ccccc3cc2C#N)C1 ZINC000091670690 678856650 /nfs/dbraw/zinc/85/66/50/678856650.db2.gz ZTWQJJVUZDUJPA-CQSZACIVSA-N 1 2 282.347 1.849 20 30 CDEDLO C[N@H+]1CCO[C@H](CNc2nc3ccccc3cc2C#N)C1 ZINC000091670690 678856653 /nfs/dbraw/zinc/85/66/53/678856653.db2.gz ZTWQJJVUZDUJPA-CQSZACIVSA-N 1 2 282.347 1.849 20 30 CDEDLO C#CCCN1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001030527339 678867207 /nfs/dbraw/zinc/86/72/07/678867207.db2.gz IFXNFYSYBREVHC-UHFFFAOYSA-N 1 2 268.320 1.000 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001030527339 678867210 /nfs/dbraw/zinc/86/72/10/678867210.db2.gz IFXNFYSYBREVHC-UHFFFAOYSA-N 1 2 268.320 1.000 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCN(c3ccccc3)C2)C1 ZINC001030506659 678926537 /nfs/dbraw/zinc/92/65/37/678926537.db2.gz QAOVAXXCBISRAJ-HNNXBMFYSA-N 1 2 299.418 1.889 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)c(C)c1 ZINC001018061520 678929917 /nfs/dbraw/zinc/92/99/17/678929917.db2.gz OVAGQEUIXSIHSU-IYBDPMFKSA-N 1 2 298.386 1.926 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)c(C)c1 ZINC001018061520 678929918 /nfs/dbraw/zinc/92/99/18/678929918.db2.gz OVAGQEUIXSIHSU-IYBDPMFKSA-N 1 2 298.386 1.926 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccncn2)[C@H]1C ZINC000994017645 678933671 /nfs/dbraw/zinc/93/36/71/678933671.db2.gz FPDCVWJQFZHJEJ-NEPJUHHUSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccncn2)[C@H]1C ZINC000994017645 678933673 /nfs/dbraw/zinc/93/36/73/678933673.db2.gz FPDCVWJQFZHJEJ-NEPJUHHUSA-N 1 2 294.786 1.812 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCc2nccs2)cc1OC ZINC000161260608 678942982 /nfs/dbraw/zinc/94/29/82/678942982.db2.gz HCHUYGPBVOKNOZ-UHFFFAOYSA-N 1 2 293.348 1.997 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc2c(c1)CCCO2 ZINC000819431341 678953238 /nfs/dbraw/zinc/95/32/38/678953238.db2.gz SEKNILOCNYRHGY-HNNXBMFYSA-N 1 2 289.379 1.630 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc2c(c1)CCCO2 ZINC000819431341 678953240 /nfs/dbraw/zinc/95/32/40/678953240.db2.gz SEKNILOCNYRHGY-HNNXBMFYSA-N 1 2 289.379 1.630 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCCC[C@H]1C ZINC000884102829 678984094 /nfs/dbraw/zinc/98/40/94/678984094.db2.gz OBDUDPUGHSMKIA-AGIUHOORSA-N 1 2 282.384 1.376 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)no1 ZINC001027741809 678993025 /nfs/dbraw/zinc/99/30/25/678993025.db2.gz KYSXZKGYBPBFRE-NSHDSACASA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)no1 ZINC001027741809 678993026 /nfs/dbraw/zinc/99/30/26/678993026.db2.gz KYSXZKGYBPBFRE-NSHDSACASA-N 1 2 283.759 1.930 20 30 CDEDLO CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001038000826 679001952 /nfs/dbraw/zinc/00/19/52/679001952.db2.gz DPGDNTZJPODFCI-ZDUSSCGKSA-N 1 2 261.300 1.408 20 30 CDEDLO CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001038000826 679001955 /nfs/dbraw/zinc/00/19/55/679001955.db2.gz DPGDNTZJPODFCI-ZDUSSCGKSA-N 1 2 261.300 1.408 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1OC ZINC001018204958 679012231 /nfs/dbraw/zinc/01/22/31/679012231.db2.gz JYAFXFMGQQPCAI-OKILXGFUSA-N 1 2 284.359 1.617 20 30 CDEDLO 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/nfs/dbraw/zinc/04/39/23/679043923.db2.gz RLGNWQRAACQSGN-LLVKDONJSA-N 1 2 268.320 1.000 20 30 CDEDLO Cc1conc1C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)C#N ZINC000960503178 679056507 /nfs/dbraw/zinc/05/65/07/679056507.db2.gz PMLYXKUUQNGIFR-YPMHNXCESA-N 1 2 290.367 1.566 20 30 CDEDLO Cc1conc1C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)C#N ZINC000960503178 679056510 /nfs/dbraw/zinc/05/65/10/679056510.db2.gz PMLYXKUUQNGIFR-YPMHNXCESA-N 1 2 290.367 1.566 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](C)c1ccccc1 ZINC000884056386 679058650 /nfs/dbraw/zinc/05/86/50/679058650.db2.gz WCRPEOIYKUOHHR-JSGCOSHPSA-N 1 2 290.363 1.353 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+]Cc1ncc(CC)s1 ZINC000784609476 679064479 /nfs/dbraw/zinc/06/44/79/679064479.db2.gz GUBQQRCRXDEDOO-UHFFFAOYSA-N 1 2 274.411 1.396 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C=C3CCC3)C[C@H]21 ZINC001074208039 679089811 /nfs/dbraw/zinc/08/98/11/679089811.db2.gz AUBVJMXDPWNYLT-CVEARBPZSA-N 1 2 290.407 1.975 20 30 CDEDLO 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/nfs/dbraw/zinc/22/76/34/679227634.db2.gz DIBDJRZFFCTONQ-CKDBGZEDSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C23CCC(CC2)CC3)C1 ZINC001035606428 679227636 /nfs/dbraw/zinc/22/76/36/679227636.db2.gz DIBDJRZFFCTONQ-CKDBGZEDSA-N 1 2 292.423 1.960 20 30 CDEDLO N#CCN1CC=C(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001140017 679361011 /nfs/dbraw/zinc/36/10/11/679361011.db2.gz VXSHEXFQDLJHLS-ZDUSSCGKSA-N 1 2 299.378 1.101 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnn1C(F)F ZINC001038290778 679368072 /nfs/dbraw/zinc/36/80/72/679368072.db2.gz QXDCPYJKPHCSJT-SNVBAGLBSA-N 1 2 282.294 1.106 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnn1C(F)F ZINC001038290778 679368073 /nfs/dbraw/zinc/36/80/73/679368073.db2.gz QXDCPYJKPHCSJT-SNVBAGLBSA-N 1 2 282.294 1.106 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2c[nH]c3ccccc23)C1 ZINC001031300046 679383645 /nfs/dbraw/zinc/38/36/45/679383645.db2.gz QMWHKOGUKQKKTD-UHFFFAOYSA-N 1 2 269.348 1.697 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001035317426 679394689 /nfs/dbraw/zinc/39/46/89/679394689.db2.gz SXGXRLCHXPMJOE-KBXIAJHMSA-N 1 2 278.396 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001035317426 679394692 /nfs/dbraw/zinc/39/46/92/679394692.db2.gz SXGXRLCHXPMJOE-KBXIAJHMSA-N 1 2 278.396 1.426 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2sc(C)nc2C)C1 ZINC001009455964 679400843 /nfs/dbraw/zinc/40/08/43/679400843.db2.gz SXOZSNCRZWQCHX-ZDUSSCGKSA-N 1 2 291.420 1.977 20 30 CDEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2sc(C)nc2C)C1 ZINC001009455964 679400845 /nfs/dbraw/zinc/40/08/45/679400845.db2.gz SXOZSNCRZWQCHX-ZDUSSCGKSA-N 1 2 291.420 1.977 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnccn2)C1 ZINC001032885176 679405071 /nfs/dbraw/zinc/40/50/71/679405071.db2.gz SYVBBPHLDIAHRB-LLVKDONJSA-N 1 2 280.759 1.375 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnccn2)C1 ZINC001032885176 679405073 /nfs/dbraw/zinc/40/50/73/679405073.db2.gz SYVBBPHLDIAHRB-LLVKDONJSA-N 1 2 280.759 1.375 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2NC(=O)c3ccccc32)C1 ZINC001044078117 679429752 /nfs/dbraw/zinc/42/97/52/679429752.db2.gz KDINKMQMWDSUIY-OAHLLOKOSA-N 1 2 299.374 1.190 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(C2CC2)n1 ZINC001032815174 679430925 /nfs/dbraw/zinc/43/09/25/679430925.db2.gz HDHKTYPXGFNGJC-RYUDHWBXSA-N 1 2 287.388 1.552 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(C2CC2)n1 ZINC001032815174 679430927 /nfs/dbraw/zinc/43/09/27/679430927.db2.gz HDHKTYPXGFNGJC-RYUDHWBXSA-N 1 2 287.388 1.552 20 30 CDEDLO Cc1nc(N(C)C[C@@H]2CCN(C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001062118752 679438716 /nfs/dbraw/zinc/43/87/16/679438716.db2.gz WSWJAGOIUIEUCI-HNNXBMFYSA-N 1 2 298.390 1.483 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CCS(=O)(=O)Cc1ccccc1 ZINC000846979956 679463761 /nfs/dbraw/zinc/46/37/61/679463761.db2.gz DWDLSODIFUQJRU-AWEZNQCLSA-N 1 2 280.393 1.883 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(N(C)C)cn2)C1 ZINC001044347344 679474407 /nfs/dbraw/zinc/47/44/07/679474407.db2.gz MZJUWTYIWOSUGP-UHFFFAOYSA-N 1 2 288.395 1.480 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1scnc1Cl ZINC001028318661 679479471 /nfs/dbraw/zinc/47/94/71/679479471.db2.gz BODDDOZOVMIJSE-SECBINFHSA-N 1 2 283.784 1.624 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1scnc1Cl ZINC001028318661 679479472 /nfs/dbraw/zinc/47/94/72/679479472.db2.gz BODDDOZOVMIJSE-SECBINFHSA-N 1 2 283.784 1.624 20 30 CDEDLO C#CCOCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000851821488 679489516 /nfs/dbraw/zinc/48/95/16/679489516.db2.gz WILUGYDZGLFGQC-UHFFFAOYSA-N 1 2 268.357 1.189 20 30 CDEDLO Cc1ccncc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC001017420709 679491378 /nfs/dbraw/zinc/49/13/78/679491378.db2.gz BTLJCSPCXXRSJJ-CWRNSKLLSA-N 1 2 298.390 1.725 20 30 CDEDLO Cc1ccncc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC001017420709 679491381 /nfs/dbraw/zinc/49/13/81/679491381.db2.gz BTLJCSPCXXRSJJ-CWRNSKLLSA-N 1 2 298.390 1.725 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2c(C)noc2C2CC2)C1 ZINC001030690007 679500199 /nfs/dbraw/zinc/50/01/99/679500199.db2.gz KGDBQKROOAYQEM-UHFFFAOYSA-N 1 2 275.352 1.851 20 30 CDEDLO CC#CCCCC(=O)O[C@H](COC)C[N@@H+]1CCO[C@H](C)C1 ZINC000842972941 679509680 /nfs/dbraw/zinc/50/96/80/679509680.db2.gz JURNLBJNGVDJNW-CABCVRRESA-N 1 2 297.395 1.459 20 30 CDEDLO CC#CCCCC(=O)O[C@H](COC)C[N@H+]1CCO[C@H](C)C1 ZINC000842972941 679509687 /nfs/dbraw/zinc/50/96/87/679509687.db2.gz JURNLBJNGVDJNW-CABCVRRESA-N 1 2 297.395 1.459 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(C)c(C#N)c1 ZINC000799667766 679512468 /nfs/dbraw/zinc/51/24/68/679512468.db2.gz AEZWCYXCKGMWOD-UHFFFAOYSA-N 1 2 254.293 1.828 20 30 CDEDLO C#CC[C@@H]([NH2+][C@@H](C)C1CCSCC1)C(=O)OC ZINC000839167737 679516554 /nfs/dbraw/zinc/51/65/54/679516554.db2.gz HWQPZJSFPGYSCG-CMPLNLGQSA-N 1 2 255.383 1.673 20 30 CDEDLO CCc1ncc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)o1 ZINC000929327445 679526218 /nfs/dbraw/zinc/52/62/18/679526218.db2.gz JZGCGEPQXYKQLO-UHFFFAOYSA-N 1 2 297.362 1.826 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000820660809 679548622 /nfs/dbraw/zinc/54/86/22/679548622.db2.gz MCAJNKRTPXKDDK-KBPBESRZSA-N 1 2 281.400 1.150 20 30 CDEDLO C#CCCN(CCOC)C(=O)c1cccc2[nH+]ccn21 ZINC000856389439 679564289 /nfs/dbraw/zinc/56/42/89/679564289.db2.gz QTBKQZNPMKNDNQ-UHFFFAOYSA-N 1 2 271.320 1.446 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001031101851 679592160 /nfs/dbraw/zinc/59/21/60/679592160.db2.gz ODVORLLZXSODMX-UHFFFAOYSA-N 1 2 297.362 1.257 20 30 CDEDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000778253140 679609050 /nfs/dbraw/zinc/60/90/50/679609050.db2.gz OQGWXMLIUQHXHD-GFCCVEGCSA-N 1 2 273.336 1.251 20 30 CDEDLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000778253140 679609049 /nfs/dbraw/zinc/60/90/49/679609049.db2.gz OQGWXMLIUQHXHD-GFCCVEGCSA-N 1 2 273.336 1.251 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2nsnc21 ZINC001032709841 679619743 /nfs/dbraw/zinc/61/97/43/679619743.db2.gz MLMDTOBGXOXNKT-QWRGUYRKSA-N 1 2 298.371 1.223 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2nsnc21 ZINC001032709841 679619747 /nfs/dbraw/zinc/61/97/47/679619747.db2.gz MLMDTOBGXOXNKT-QWRGUYRKSA-N 1 2 298.371 1.223 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(Cl)[nH]2)C1 ZINC001035499548 679631520 /nfs/dbraw/zinc/63/15/20/679631520.db2.gz LSZGOMWMVOIVAA-NSHDSACASA-N 1 2 297.786 1.675 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(Cl)[nH]2)C1 ZINC001035499548 679631522 /nfs/dbraw/zinc/63/15/22/679631522.db2.gz LSZGOMWMVOIVAA-NSHDSACASA-N 1 2 297.786 1.675 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(-c3ccccc3)no2)C1 ZINC001015078156 679642176 /nfs/dbraw/zinc/64/21/76/679642176.db2.gz QVUUDZRAMXFFBC-CQSZACIVSA-N 1 2 295.342 1.779 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3ccccc3)no2)C1 ZINC001015078156 679642177 /nfs/dbraw/zinc/64/21/77/679642177.db2.gz QVUUDZRAMXFFBC-CQSZACIVSA-N 1 2 295.342 1.779 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C)n(C(C)C)n2)CC1 ZINC000822934374 679644002 /nfs/dbraw/zinc/64/40/02/679644002.db2.gz CAPQMOMTDVWMNK-UHFFFAOYSA-N 1 2 288.395 1.554 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC13CC3)O2 ZINC001053670771 679646850 /nfs/dbraw/zinc/64/68/50/679646850.db2.gz VOEGPNWQSLNYAW-KGLIPLIRSA-N 1 2 290.407 1.712 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C)CC)C1 ZINC001149167012 1158733866 /nfs/dbraw/zinc/73/38/66/1158733866.db2.gz BCEOZYWDDKUQCD-YPMHNXCESA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C)CC)C1 ZINC001149167012 1158733872 /nfs/dbraw/zinc/73/38/72/1158733872.db2.gz BCEOZYWDDKUQCD-YPMHNXCESA-N 1 2 288.819 1.992 20 30 CDEDLO COC(=O)c1[nH+]ccc(NCC(C)(C)S)c1C ZINC001170307321 1162339787 /nfs/dbraw/zinc/33/97/87/1162339787.db2.gz UZGWVDVGGOTPGO-UHFFFAOYSA-N 1 2 254.355 1.719 20 30 CDEDLO C=CCn1cccc1C(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001129513355 1162481116 /nfs/dbraw/zinc/48/11/16/1162481116.db2.gz CIDWEMVAOZVLRD-UHFFFAOYSA-N 1 2 288.351 1.490 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C)CCC2)[C@@H](O)C1 ZINC001090492448 1162701292 /nfs/dbraw/zinc/70/12/92/1162701292.db2.gz JOVLMZHUXZUKDC-NEPJUHHUSA-N 1 2 286.803 1.481 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CCC2)[C@@H](O)C1 ZINC001090492448 1162701296 /nfs/dbraw/zinc/70/12/96/1162701296.db2.gz JOVLMZHUXZUKDC-NEPJUHHUSA-N 1 2 286.803 1.481 20 30 CDEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)/C=C(\C)CC)CC1 ZINC001131357098 1162871095 /nfs/dbraw/zinc/87/10/95/1162871095.db2.gz HCEUGHIIOGAYMP-BUHFOSPRSA-N 1 2 293.411 1.179 20 30 CDEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)/C=C(\C)CC)CC1 ZINC001131357098 1162871100 /nfs/dbraw/zinc/87/11/00/1162871100.db2.gz HCEUGHIIOGAYMP-BUHFOSPRSA-N 1 2 293.411 1.179 20 30 CDEDLO C#CCCCCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccon2)C1 ZINC001754672573 1159415438 /nfs/dbraw/zinc/41/54/38/1159415438.db2.gz KTTQGPCYVKRHBT-INIZCTEOSA-N 1 2 289.379 1.949 20 30 CDEDLO C#CCCCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccon2)C1 ZINC001754672573 1159415441 /nfs/dbraw/zinc/41/54/41/1159415441.db2.gz KTTQGPCYVKRHBT-INIZCTEOSA-N 1 2 289.379 1.949 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](OC)[C@H](C)CC)CC1 ZINC001113044209 1162082124 /nfs/dbraw/zinc/08/21/24/1162082124.db2.gz MZYDVIRWMVHOLN-CABCVRRESA-N 1 2 298.427 1.394 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](OCC)C2CCCC2)CC1 ZINC001113166704 1162120822 /nfs/dbraw/zinc/12/08/22/1162120822.db2.gz RQSSOULBTYNQSW-HNNXBMFYSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](F)CC)CC1 ZINC001113200160 1162128073 /nfs/dbraw/zinc/12/80/73/1162128073.db2.gz YSBCAFCJYBMZQA-LBPRGKRZSA-N 1 2 258.337 1.081 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H](OC)C(F)(F)F)CC1 ZINC001113505794 1162199743 /nfs/dbraw/zinc/19/97/43/1162199743.db2.gz LOSHCAWVOCBUNL-SNVBAGLBSA-N 1 2 280.290 1.284 20 30 CDEDLO Cc1nc(N(C)[C@@H](C)CNC(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001113562183 1162222806 /nfs/dbraw/zinc/22/28/06/1162222806.db2.gz FFCGQYNRQRSLQS-JTQLQIEISA-N 1 2 298.350 1.240 20 30 CDEDLO CC[NH+](CC)CCC[NH+]1CCC(C#N)(C(=O)[O-])CC1 ZINC001605430456 1163561958 /nfs/dbraw/zinc/56/19/58/1163561958.db2.gz WRFOLNMIBSCCBU-UHFFFAOYSA-N 1 2 267.373 1.409 20 30 CDEDLO CC#CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1Cl ZINC001609059758 1164752655 /nfs/dbraw/zinc/75/26/55/1164752655.db2.gz IRENEWSNVKCVJA-UHFFFAOYSA-N 1 2 275.743 1.975 20 30 CDEDLO CC#CC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1Cl ZINC001609059758 1164752659 /nfs/dbraw/zinc/75/26/59/1164752659.db2.gz IRENEWSNVKCVJA-UHFFFAOYSA-N 1 2 275.743 1.975 20 30 CDEDLO N#Cc1cccc([C@@H](O)C[N@H+](C2CC2)C2COC2)c1 ZINC001643193119 1167234735 /nfs/dbraw/zinc/23/47/35/1167234735.db2.gz AGKQTCSZBXQCMF-HNNXBMFYSA-N 1 2 258.321 1.455 20 30 CDEDLO N#Cc1cccc([C@@H](O)C[N@@H+](C2CC2)C2COC2)c1 ZINC001643193119 1167234737 /nfs/dbraw/zinc/23/47/37/1167234737.db2.gz AGKQTCSZBXQCMF-HNNXBMFYSA-N 1 2 258.321 1.455 20 30 CDEDLO N#Cc1cccc([C@H](O)CN2CCn3c[nH+]cc3C2)c1 ZINC001646007511 1167607359 /nfs/dbraw/zinc/60/73/59/1167607359.db2.gz QOXUQOHPRBZBFX-OAHLLOKOSA-N 1 2 268.320 1.304 20 30 CDEDLO CC#CC[C@@H]([NH3+])C(=O)Nc1nccc(Br)c1O ZINC001574969438 1171067759 /nfs/dbraw/zinc/06/77/59/1171067759.db2.gz JCENWQODDSECOD-MRVPVSSYSA-N 1 2 298.140 1.229 20 30 CDEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@H](C)C2CC2)C1 ZINC001692392277 1175760255 /nfs/dbraw/zinc/76/02/55/1175760255.db2.gz OORGVTFIXGFSPV-OCCSQVGLSA-N 1 2 293.411 1.058 20 30 CDEDLO C=CCCC(=O)N[C@H]1CC[N@H+](CC(=O)N[C@H](C)C2CC2)C1 ZINC001692392277 1175760260 /nfs/dbraw/zinc/76/02/60/1175760260.db2.gz OORGVTFIXGFSPV-OCCSQVGLSA-N 1 2 293.411 1.058 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2ccc(C#N)c(F)c2)C1 ZINC000155606925 1178163735 /nfs/dbraw/zinc/16/37/35/1178163735.db2.gz TZSIJZRRLMMANG-LBPRGKRZSA-N 1 2 250.273 1.407 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2ccc(C#N)c(F)c2)C1 ZINC000155606925 1178163743 /nfs/dbraw/zinc/16/37/43/1178163743.db2.gz TZSIJZRRLMMANG-LBPRGKRZSA-N 1 2 250.273 1.407 20 30 CDEDLO C=CCCC(=O)N(C)CC[NH2+]Cc1nnc(C2CC2)o1 ZINC001753174531 1182226203 /nfs/dbraw/zinc/22/62/03/1182226203.db2.gz HJDHUNOBEMESDE-UHFFFAOYSA-N 1 2 278.356 1.461 20 30 CDEDLO CC#CC[N@H+](C)CCCNC(=O)C(F)C(F)(F)F ZINC001751979031 1184803483 /nfs/dbraw/zinc/80/34/83/1184803483.db2.gz LPZHLEULLLKOCL-VIFPVBQESA-N 1 2 268.254 1.348 20 30 CDEDLO CC#CC[N@@H+](C)CCCNC(=O)C(F)C(F)(F)F ZINC001751979031 1184803490 /nfs/dbraw/zinc/80/34/90/1184803490.db2.gz LPZHLEULLLKOCL-VIFPVBQESA-N 1 2 268.254 1.348 20 30 CDEDLO CC#CC[N@H+](C)CCCNC(=O)[C@H](F)C(F)(F)F ZINC001751979031 1184803497 /nfs/dbraw/zinc/80/34/97/1184803497.db2.gz LPZHLEULLLKOCL-VIFPVBQESA-N 1 2 268.254 1.348 20 30 CDEDLO CC#CC[N@@H+](C)CCCNC(=O)[C@H](F)C(F)(F)F ZINC001751979031 1184803504 /nfs/dbraw/zinc/80/35/04/1184803504.db2.gz LPZHLEULLLKOCL-VIFPVBQESA-N 1 2 268.254 1.348 20 30 CDEDLO C#CCC[NH2+][C@@H](CNC(=O)C(F)C(F)(F)F)C1CC1 ZINC001752462297 1184865778 /nfs/dbraw/zinc/86/57/78/1184865778.db2.gz CLGAWWFNRYBHMC-UWVGGRQHSA-N 1 2 280.265 1.395 20 30 CDEDLO C#CCC[NH2+][C@@H](CNC(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC001752462297 1184865784 /nfs/dbraw/zinc/86/57/84/1184865784.db2.gz CLGAWWFNRYBHMC-UWVGGRQHSA-N 1 2 280.265 1.395 20 30 CDEDLO C[C@@H](NCC#N)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001753277398 1185139560 /nfs/dbraw/zinc/13/95/60/1185139560.db2.gz LRALSUHSRKQEQQ-CYBMUJFWSA-N 1 2 289.383 1.013 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)CCc2c(C)noc2C)C1 ZINC001753393415 1185183873 /nfs/dbraw/zinc/18/38/73/1185183873.db2.gz NYTCPXUERUBQKW-UHFFFAOYSA-N 1 2 277.368 1.601 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)C2(COC)CCCCC2)C1 ZINC001754576674 1185672056 /nfs/dbraw/zinc/67/20/56/1185672056.db2.gz UQHQSEKIQHTYEC-UHFFFAOYSA-N 1 2 292.423 1.749 20 30 CDEDLO C#CC[NH2+]CC[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001754915101 1185763273 /nfs/dbraw/zinc/76/32/73/1185763273.db2.gz CKLNKEOIOIYVRK-ZJUUUORDSA-N 1 2 280.265 1.348 20 30 CDEDLO C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001754915101 1185763278 /nfs/dbraw/zinc/76/32/78/1185763278.db2.gz CKLNKEOIOIYVRK-ZJUUUORDSA-N 1 2 280.265 1.348 20 30 CDEDLO CC#CCCCC(=O)N(C)CCC[N@H+](C)Cc1cnon1 ZINC001755042067 1185796034 /nfs/dbraw/zinc/79/60/34/1185796034.db2.gz 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N#C[C@@H]1CC[N@H+](Cc2ccccc2N2CCC(O)CC2)C1 ZINC001138762845 936564436 /nfs/dbraw/zinc/56/44/36/936564436.db2.gz KQVUIMUUNASYKC-AWEZNQCLSA-N 1 2 285.391 1.993 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)C(C)C)C1 ZINC001107969536 919342259 /nfs/dbraw/zinc/34/22/59/919342259.db2.gz PJKBYGMLNUYPTJ-KRWDZBQOSA-N 1 2 294.439 1.899 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)C(C)C)C1 ZINC001107969536 919342275 /nfs/dbraw/zinc/34/22/75/919342275.db2.gz PJKBYGMLNUYPTJ-KRWDZBQOSA-N 1 2 294.439 1.899 20 30 CDEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C(F)F ZINC001151441433 919395844 /nfs/dbraw/zinc/39/58/44/919395844.db2.gz JNPPRINCJVVEDG-MRVPVSSYSA-N 1 2 299.159 1.987 20 30 CDEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C(F)F ZINC001151441433 919395856 /nfs/dbraw/zinc/39/58/56/919395856.db2.gz JNPPRINCJVVEDG-MRVPVSSYSA-N 1 2 299.159 1.987 20 30 CDEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001185071425 919409516 /nfs/dbraw/zinc/40/95/16/919409516.db2.gz WEJZHOBTACWAGH-VXGBXAGGSA-N 1 2 294.424 1.831 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc([C@@H](C)CC)no2)CC1 ZINC000162786614 919878879 /nfs/dbraw/zinc/87/88/79/919878879.db2.gz POHMDKXTCDSJDE-ZDUSSCGKSA-N 1 2 289.379 1.969 20 30 CDEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ncc[nH]1 ZINC001272920910 920079168 /nfs/dbraw/zinc/07/91/68/920079168.db2.gz FZLPNXFJWLCQGD-CHWSQXEVSA-N 1 2 287.367 1.279 20 30 CDEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ncc[nH]1 ZINC001272920910 920079184 /nfs/dbraw/zinc/07/91/84/920079184.db2.gz FZLPNXFJWLCQGD-CHWSQXEVSA-N 1 2 287.367 1.279 20 30 CDEDLO C#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2[nH]c(C)cc2C)C1 ZINC001108029779 920105712 /nfs/dbraw/zinc/10/57/12/920105712.db2.gz ZRDWMYYVJKTOSG-MRXNPFEDSA-N 1 2 289.379 1.085 20 30 CDEDLO C#CC[N@H+]1CCO[C@](C)(CNC(=O)c2[nH]c(C)cc2C)C1 ZINC001108029779 920105723 /nfs/dbraw/zinc/10/57/23/920105723.db2.gz ZRDWMYYVJKTOSG-MRXNPFEDSA-N 1 2 289.379 1.085 20 30 CDEDLO CNC(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139650718 936634386 /nfs/dbraw/zinc/63/43/86/936634386.db2.gz TVIHKQNSHVSRDS-ZDUSSCGKSA-N 1 2 290.342 1.591 20 30 CDEDLO CNC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139650718 936634388 /nfs/dbraw/zinc/63/43/88/936634388.db2.gz TVIHKQNSHVSRDS-ZDUSSCGKSA-N 1 2 290.342 1.591 20 30 CDEDLO C#CCN1CC[NH+](Cc2cnc3cccnc3c2)CC1 ZINC001139743267 936642908 /nfs/dbraw/zinc/64/29/08/936642908.db2.gz VXSSOQZLAOMBAH-UHFFFAOYSA-N 1 2 266.348 1.381 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnc3cccnc3c2)CC1 ZINC001139743267 936642909 /nfs/dbraw/zinc/64/29/09/936642909.db2.gz VXSSOQZLAOMBAH-UHFFFAOYSA-N 1 2 266.348 1.381 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)NCC(F)(F)F)CC1 ZINC001187073943 920319782 /nfs/dbraw/zinc/31/97/82/920319782.db2.gz LHTJOKMIVGKSML-UHFFFAOYSA-N 1 2 251.252 1.062 20 30 CDEDLO COCC#CC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC001187121439 920370867 /nfs/dbraw/zinc/37/08/67/920370867.db2.gz ALFDECHBFGUETE-HNNXBMFYSA-N 1 2 272.348 1.152 20 30 CDEDLO COCC#CC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC001187121439 920370882 /nfs/dbraw/zinc/37/08/82/920370882.db2.gz ALFDECHBFGUETE-HNNXBMFYSA-N 1 2 272.348 1.152 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccnnc2)C1 ZINC001139987569 936665978 /nfs/dbraw/zinc/66/59/78/936665978.db2.gz XZNMINSTAYKIST-ZDUSSCGKSA-N 1 2 276.340 1.353 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccnnc2)C1 ZINC001139987569 936665979 /nfs/dbraw/zinc/66/59/79/936665979.db2.gz XZNMINSTAYKIST-ZDUSSCGKSA-N 1 2 276.340 1.353 20 30 CDEDLO C=CCC1(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC001190783610 922197163 /nfs/dbraw/zinc/19/71/63/922197163.db2.gz KHMQJXWRPSPQQS-NWDGAFQWSA-N 1 2 272.414 1.449 20 30 CDEDLO C=CCC1(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC001190783610 922197166 /nfs/dbraw/zinc/19/71/66/922197166.db2.gz KHMQJXWRPSPQQS-NWDGAFQWSA-N 1 2 272.414 1.449 20 30 CDEDLO C[C@]1(CO)CC[N@H+](Cc2cc(F)c(C#N)c(F)c2)C[C@H]1O ZINC001140753145 936750442 /nfs/dbraw/zinc/75/04/42/936750442.db2.gz YSMCDQFEMHJKFE-HUUCEWRRSA-N 1 2 296.317 1.402 20 30 CDEDLO C[C@]1(CO)CC[N@@H+](Cc2cc(F)c(C#N)c(F)c2)C[C@H]1O ZINC001140753145 936750443 /nfs/dbraw/zinc/75/04/43/936750443.db2.gz YSMCDQFEMHJKFE-HUUCEWRRSA-N 1 2 296.317 1.402 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@]2(C)C=CCC2)C1 ZINC001108138568 922729731 /nfs/dbraw/zinc/72/97/31/922729731.db2.gz PWXVAHZBGBXATR-SJORKVTESA-N 1 2 290.407 1.573 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@]2(C)C=CCC2)C1 ZINC001108138568 922729746 /nfs/dbraw/zinc/72/97/46/922729746.db2.gz PWXVAHZBGBXATR-SJORKVTESA-N 1 2 290.407 1.573 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001108148364 922780953 /nfs/dbraw/zinc/78/09/53/922780953.db2.gz KLJLNUGQOWKPLK-BBRMVZONSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001108148364 922780964 /nfs/dbraw/zinc/78/09/64/922780964.db2.gz KLJLNUGQOWKPLK-BBRMVZONSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C)n[nH]2)C1 ZINC001203083281 936784862 /nfs/dbraw/zinc/78/48/62/936784862.db2.gz GIDNKRWMYKVCKT-GFCCVEGCSA-N 1 2 278.356 1.595 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)n[nH]2)C1 ZINC001203083281 936784864 /nfs/dbraw/zinc/78/48/64/936784864.db2.gz GIDNKRWMYKVCKT-GFCCVEGCSA-N 1 2 278.356 1.595 20 30 CDEDLO C[Si](C)(C)C#Cc1ccc(-n2[nH]c(=O)nc2C[NH3+])cn1 ZINC001168761492 923281036 /nfs/dbraw/zinc/28/10/36/923281036.db2.gz QTPMBJXDXBJYDG-UHFFFAOYSA-N 1 2 287.399 1.056 20 30 CDEDLO COc1ccc(C[NH+]2CCN(C)CC2)cc1NCC#N ZINC001163187538 923405231 /nfs/dbraw/zinc/40/52/31/923405231.db2.gz LATQQWOMYWUVPO-UHFFFAOYSA-N 1 2 274.368 1.378 20 30 CDEDLO C[C@@H](C#N)S(=O)(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC001193139315 923483881 /nfs/dbraw/zinc/48/38/81/923483881.db2.gz CAEYOCSERARCIG-JTQLQIEISA-N 1 2 276.321 1.526 20 30 CDEDLO N#Cc1cncc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC001194120563 924068094 /nfs/dbraw/zinc/06/80/94/924068094.db2.gz BPKSULLDQJEEPK-CQSZACIVSA-N 1 2 293.330 1.357 20 30 CDEDLO C=CCCC(=O)N1CCC[N@@H+](Cc2cncn2C)CC1 ZINC001195191552 924488540 /nfs/dbraw/zinc/48/85/40/924488540.db2.gz KKLXMABOPDWQRD-UHFFFAOYSA-N 1 2 276.384 1.421 20 30 CDEDLO C=CCCC(=O)N1CCC[N@H+](Cc2cncn2C)CC1 ZINC001195191552 924488544 /nfs/dbraw/zinc/48/85/44/924488544.db2.gz KKLXMABOPDWQRD-UHFFFAOYSA-N 1 2 276.384 1.421 20 30 CDEDLO N#C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC001250667675 924674104 /nfs/dbraw/zinc/67/41/04/924674104.db2.gz FIILPHAABHEWEE-YPMHNXCESA-N 1 2 280.755 1.925 20 30 CDEDLO N#C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC001250667675 924674108 /nfs/dbraw/zinc/67/41/08/924674108.db2.gz FIILPHAABHEWEE-YPMHNXCESA-N 1 2 280.755 1.925 20 30 CDEDLO N#Cc1ccc2c(c1)CC[N@@H+](C[C@H](O)C(F)(F)F)C2 ZINC001250964697 924814205 /nfs/dbraw/zinc/81/42/05/924814205.db2.gz MTZQVAZVJLVUIR-LBPRGKRZSA-N 1 2 270.254 1.840 20 30 CDEDLO N#Cc1ccc2c(c1)CC[N@H+](C[C@H](O)C(F)(F)F)C2 ZINC001250964697 924814208 /nfs/dbraw/zinc/81/42/08/924814208.db2.gz MTZQVAZVJLVUIR-LBPRGKRZSA-N 1 2 270.254 1.840 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(F)ccc2C)[C@H](OC)C1 ZINC001081995699 924835230 /nfs/dbraw/zinc/83/52/30/924835230.db2.gz YJFHVYNJWCJTEK-HUUCEWRRSA-N 1 2 290.338 1.196 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(F)ccc2C)[C@H](OC)C1 ZINC001081995699 924835233 /nfs/dbraw/zinc/83/52/33/924835233.db2.gz YJFHVYNJWCJTEK-HUUCEWRRSA-N 1 2 290.338 1.196 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)cs2)[C@H](OC)C1 ZINC001082016497 924840934 /nfs/dbraw/zinc/84/09/34/924840934.db2.gz RDZKYACEZTXMER-VXGBXAGGSA-N 1 2 296.392 1.372 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(OC)cs2)[C@H](OC)C1 ZINC001082016497 924840945 /nfs/dbraw/zinc/84/09/45/924840945.db2.gz RDZKYACEZTXMER-VXGBXAGGSA-N 1 2 296.392 1.372 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001101033804 936952826 /nfs/dbraw/zinc/95/28/26/936952826.db2.gz GYAIMANUGLCVCE-CYBMUJFWSA-N 1 2 288.395 1.940 20 30 CDEDLO C=CC[C@H]([NH2+]C[C@@H](OC)[C@H]1CCOC1)C(=O)OCC ZINC001119245045 925033038 /nfs/dbraw/zinc/03/30/38/925033038.db2.gz MHWRYBGKIXWTFT-RWMBFGLXSA-N 1 2 271.357 1.135 20 30 CDEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001198080719 925319329 /nfs/dbraw/zinc/31/93/29/925319329.db2.gz HNHPMVZWZKZSGZ-ZIAGYGMSSA-N 1 2 288.407 1.868 20 30 CDEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001198080719 925319337 /nfs/dbraw/zinc/31/93/37/925319337.db2.gz HNHPMVZWZKZSGZ-ZIAGYGMSSA-N 1 2 288.407 1.868 20 30 CDEDLO C#Cc1cc(Nc2cc(O)cc([N+](=O)[O-])c2)cc[nH+]1 ZINC001199802588 925868066 /nfs/dbraw/zinc/86/80/66/925868066.db2.gz VOLYBRXPUVVHFM-UHFFFAOYSA-N 1 2 255.233 1.842 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ocnc1C ZINC001085532686 926123148 /nfs/dbraw/zinc/12/31/48/926123148.db2.gz SEJRNTLDXWXZKS-GFCCVEGCSA-N 1 2 261.325 1.153 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ocnc1C ZINC001085532686 926123155 /nfs/dbraw/zinc/12/31/55/926123155.db2.gz SEJRNTLDXWXZKS-GFCCVEGCSA-N 1 2 261.325 1.153 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(C)C)n(C)n1 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CDEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C(N)=O)s1 ZINC001085871462 926465838 /nfs/dbraw/zinc/46/58/38/926465838.db2.gz VWYQBJKGALIYID-JTQLQIEISA-N 1 2 293.392 1.179 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C(N)=O)s1 ZINC001085871462 926465841 /nfs/dbraw/zinc/46/58/41/926465841.db2.gz VWYQBJKGALIYID-JTQLQIEISA-N 1 2 293.392 1.179 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ncoc1C(C)C ZINC001085913843 926497081 /nfs/dbraw/zinc/49/70/81/926497081.db2.gz LGRFJERWCOERTN-GFCCVEGCSA-N 1 2 275.352 1.578 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncoc1C(C)C ZINC001085913843 926497086 /nfs/dbraw/zinc/49/70/86/926497086.db2.gz LGRFJERWCOERTN-GFCCVEGCSA-N 1 2 275.352 1.578 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ncccc1Cl ZINC001085937131 926523674 /nfs/dbraw/zinc/52/36/74/926523674.db2.gz WQOWWXXRJKQEKC-NSHDSACASA-N 1 2 277.755 1.515 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncccc1Cl ZINC001085937131 926523680 /nfs/dbraw/zinc/52/36/80/926523680.db2.gz WQOWWXXRJKQEKC-NSHDSACASA-N 1 2 277.755 1.515 20 30 CDEDLO N#CCN[C@H]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001086121302 926729928 /nfs/dbraw/zinc/72/99/28/926729928.db2.gz MFCKHWBBBMLEHY-KLPPZKSPSA-N 1 2 283.335 1.184 20 30 CDEDLO CC[C@@H](CNC(=O)Cn1cc[nH+]c1)Nc1ccc(C#N)nc1 ZINC001103118241 937123836 /nfs/dbraw/zinc/12/38/36/937123836.db2.gz UNSMETQEEHXJRW-LBPRGKRZSA-N 1 2 298.350 1.157 20 30 CDEDLO C#CCN(C(=O)CC)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110615705 927308861 /nfs/dbraw/zinc/30/88/61/927308861.db2.gz CWUCTASYWFMRSY-UHFFFAOYSA-N 1 2 286.379 1.626 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)C2CC2)C1 ZINC001108425173 927546854 /nfs/dbraw/zinc/54/68/54/927546854.db2.gz ZIIHEAYCZPTBOH-CJNGLKHVSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)C2CC2)C1 ZINC001108425173 927546864 /nfs/dbraw/zinc/54/68/64/927546864.db2.gz ZIIHEAYCZPTBOH-CJNGLKHVSA-N 1 2 280.412 1.816 20 30 CDEDLO N#CC1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168995809 927603055 /nfs/dbraw/zinc/60/30/55/927603055.db2.gz TUECVZJKEIEAQD-WDEREUQCSA-N 1 2 253.302 1.094 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C#CC2CC2)C1 ZINC001149687215 937199732 /nfs/dbraw/zinc/19/97/32/937199732.db2.gz NAJQDVNOJJNVAB-AWEZNQCLSA-N 1 2 296.798 1.359 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C#CC2CC2)C1 ZINC001149687215 937199733 /nfs/dbraw/zinc/19/97/33/937199733.db2.gz NAJQDVNOJJNVAB-AWEZNQCLSA-N 1 2 296.798 1.359 20 30 CDEDLO N#Cc1ccc2[nH]c(NC(=O)Cn3cc[nH+]c3)nc2c1 ZINC001149884978 937208677 /nfs/dbraw/zinc/20/86/77/937208677.db2.gz WZKUCQICQYIRNL-UHFFFAOYSA-N 1 2 266.264 1.270 20 30 CDEDLO Cc1[nH+]cc(C=NN=c2cc[nH]c(N(C)C)n2)n1C ZINC000853310978 928001135 /nfs/dbraw/zinc/00/11/35/928001135.db2.gz VERDFBGRNBJWGG-UHFFFAOYSA-N 1 2 259.317 1.031 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](F)CC)C1 ZINC001150150580 937221453 /nfs/dbraw/zinc/22/14/53/937221453.db2.gz ZVBOBSKPASCYCB-RYUDHWBXSA-N 1 2 292.782 1.694 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](F)CC)C1 ZINC001150150580 937221455 /nfs/dbraw/zinc/22/14/55/937221455.db2.gz ZVBOBSKPASCYCB-RYUDHWBXSA-N 1 2 292.782 1.694 20 30 CDEDLO COc1ccc(C(=NO)Nc2ccc(C)c(N)[nH+]2)nc1 ZINC001169599741 928211825 /nfs/dbraw/zinc/21/18/25/928211825.db2.gz GPDSLORZDPIZQB-UHFFFAOYSA-N 1 2 273.296 1.624 20 30 CDEDLO C=C[C@@H](CO)Nc1nc(NC2CC2)c(OC)c[nH+]1 ZINC001169779903 928431564 /nfs/dbraw/zinc/43/15/64/928431564.db2.gz AGPYXYBIUBUMTE-QMMMGPOBSA-N 1 2 250.302 1.018 20 30 CDEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnnn1C ZINC001109045757 928773922 /nfs/dbraw/zinc/77/39/22/928773922.db2.gz BYDHFIQNGAQLSG-XBFCOCLRSA-N 1 2 289.383 1.003 20 30 CDEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnnn1C ZINC001109045757 928773934 /nfs/dbraw/zinc/77/39/34/928773934.db2.gz BYDHFIQNGAQLSG-XBFCOCLRSA-N 1 2 289.383 1.003 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H](OCC)C(C)C)CC1 ZINC001112966037 929608374 /nfs/dbraw/zinc/60/83/74/929608374.db2.gz SNAQNOWCALKRSM-OAHLLOKOSA-N 1 2 280.412 1.605 20 30 CDEDLO N#CCC[N@H+]1CCCC[C@]12CC(=O)N(CC(F)F)C2 ZINC001274032545 931133361 /nfs/dbraw/zinc/13/33/61/931133361.db2.gz RNUPSRSXCJHSLV-CYBMUJFWSA-N 1 2 271.311 1.622 20 30 CDEDLO N#CCC[N@@H+]1CCCC[C@]12CC(=O)N(CC(F)F)C2 ZINC001274032545 931133363 /nfs/dbraw/zinc/13/33/63/931133363.db2.gz RNUPSRSXCJHSLV-CYBMUJFWSA-N 1 2 271.311 1.622 20 30 CDEDLO C#CCN(C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890248129 931422330 /nfs/dbraw/zinc/42/23/30/931422330.db2.gz JVFGIYSPDMVODF-HNNXBMFYSA-N 1 2 282.347 1.899 20 30 CDEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cn[nH]c1CC ZINC001274382200 931495457 /nfs/dbraw/zinc/49/54/57/931495457.db2.gz XQZSTQAIODOHGT-HUUCEWRRSA-N 1 2 288.395 1.723 20 30 CDEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cn[nH]c1CC ZINC001274382200 931495459 /nfs/dbraw/zinc/49/54/59/931495459.db2.gz XQZSTQAIODOHGT-HUUCEWRRSA-N 1 2 288.395 1.723 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)nc1 ZINC001144163133 931676743 /nfs/dbraw/zinc/67/67/43/931676743.db2.gz OJSPQWDWGMAWJM-MRXNPFEDSA-N 1 2 298.390 1.930 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)nc1 ZINC001144163133 931676749 /nfs/dbraw/zinc/67/67/49/931676749.db2.gz OJSPQWDWGMAWJM-MRXNPFEDSA-N 1 2 298.390 1.930 20 30 CDEDLO C=C(Cc1ccccc1)C(=O)NCCc1[nH+]ccn1C ZINC001144399510 931793400 /nfs/dbraw/zinc/79/34/00/931793400.db2.gz VTXCRIJBYJPDLA-UHFFFAOYSA-N 1 2 269.348 1.878 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CCOC[C@@H]2CCC(=O)OC)cc1 ZINC001144580765 931902444 /nfs/dbraw/zinc/90/24/44/931902444.db2.gz ILEBNTPOQNNSKX-INIZCTEOSA-N 1 2 287.359 1.822 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CCOC[C@@H]2CCC(=O)OC)cc1 ZINC001144580765 931902449 /nfs/dbraw/zinc/90/24/49/931902449.db2.gz ILEBNTPOQNNSKX-INIZCTEOSA-N 1 2 287.359 1.822 20 30 CDEDLO C=C[C@H]1C[C@@]1(NC(=O)c1cccc2[nH+]ccn21)C(=O)OCC ZINC001154525678 937553805 /nfs/dbraw/zinc/55/38/05/937553805.db2.gz RYCRIGARSABBPQ-ZBEGNZNMSA-N 1 2 299.330 1.572 20 30 CDEDLO NC(=O)c1ccc(C(=[NH2+])Nc2ccc3[nH]ccc3n2)cc1 ZINC001171253593 932136045 /nfs/dbraw/zinc/13/60/45/932136045.db2.gz WRYNYZKSCJFLHR-UHFFFAOYSA-N 1 2 279.303 1.699 20 30 CDEDLO Cc1nc(N[C@H]2C[C@H](CNC(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001091445795 932190014 /nfs/dbraw/zinc/19/00/14/932190014.db2.gz YEXCWXCMLPKIJJ-DLOVCJGASA-N 1 2 273.340 1.251 20 30 CDEDLO C[C@@H](CC(=O)NC1(C#N)CCOCC1)n1cc[nH+]c1 ZINC001326441974 932238793 /nfs/dbraw/zinc/23/87/93/932238793.db2.gz DUKAAXJMRMJQLY-NSHDSACASA-N 1 2 262.313 1.023 20 30 CDEDLO N#CCc1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001247385029 932801540 /nfs/dbraw/zinc/80/15/40/932801540.db2.gz CYCSIFCFZAUXDO-UHFFFAOYSA-N 1 2 251.249 1.988 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCc3n[nH]c(=O)cc3C2)n1 ZINC001119302875 937707207 /nfs/dbraw/zinc/70/72/07/937707207.db2.gz VWCAHHHWZJOFMV-UHFFFAOYSA-N 1 2 267.292 1.007 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)n1 ZINC001119302875 937707209 /nfs/dbraw/zinc/70/72/09/937707209.db2.gz VWCAHHHWZJOFMV-UHFFFAOYSA-N 1 2 267.292 1.007 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nccn3C)C[C@H]21 ZINC001114753389 934954807 /nfs/dbraw/zinc/95/48/07/934954807.db2.gz VBEPPKVCJJYFOC-VIKVFOODSA-N 1 2 288.395 1.323 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nccn3C)C[C@H]21 ZINC001114753389 934954812 /nfs/dbraw/zinc/95/48/12/934954812.db2.gz VBEPPKVCJJYFOC-VIKVFOODSA-N 1 2 288.395 1.323 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cn3cc(C)nc3s2)C1 ZINC001014715128 935547896 /nfs/dbraw/zinc/54/78/96/935547896.db2.gz XAWYMZIVNDLQKR-NSHDSACASA-N 1 2 288.376 1.142 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cn3cc(C)nc3s2)C1 ZINC001014715128 935547899 /nfs/dbraw/zinc/54/78/99/935547899.db2.gz XAWYMZIVNDLQKR-NSHDSACASA-N 1 2 288.376 1.142 20 30 CDEDLO Cn1nncc1C[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001238166155 945112851 /nfs/dbraw/zinc/11/28/51/945112851.db2.gz LXMYFGFHDLEYLE-UHFFFAOYSA-N 1 2 297.362 1.730 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1Cc2ccncc2C1 ZINC001017951139 935655853 /nfs/dbraw/zinc/65/58/53/935655853.db2.gz ZGNBCOOUBUGEDP-OIISXLGYSA-N 1 2 295.386 1.105 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1Cc2ccncc2C1 ZINC001017951139 935655856 /nfs/dbraw/zinc/65/58/56/935655856.db2.gz ZGNBCOOUBUGEDP-OIISXLGYSA-N 1 2 295.386 1.105 20 30 CDEDLO C#CCCCCC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096359161 936050486 /nfs/dbraw/zinc/05/04/86/936050486.db2.gz YMJPOEGHAIHJFW-CQSZACIVSA-N 1 2 286.379 1.674 20 30 CDEDLO C#CCSCC(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC001122988667 936099266 /nfs/dbraw/zinc/09/92/66/936099266.db2.gz VYKHQVQOJCQTOE-UHFFFAOYSA-N 1 2 276.361 1.427 20 30 CDEDLO C=CCOCC(=O)NC[C@@H](Nc1cc[nH+]c(C)n1)C1CC1 ZINC001096591390 936189669 /nfs/dbraw/zinc/18/96/69/936189669.db2.gz HJYNKRCWHQFYPB-CYBMUJFWSA-N 1 2 290.367 1.294 20 30 CDEDLO C=C1CCN(c2nc(NCCO)[nH+]c(NC(C)C)n2)CC1 ZINC001120896496 937845542 /nfs/dbraw/zinc/84/55/42/937845542.db2.gz NOOOVEGGJCGFEP-UHFFFAOYSA-N 1 2 292.387 1.253 20 30 CDEDLO C#C[C@H](C)N(C)c1nnc(C[NH+]2CCCCC2)n1C ZINC001121494166 937874239 /nfs/dbraw/zinc/87/42/39/937874239.db2.gz DQFMVBISENULEZ-LBPRGKRZSA-N 1 2 261.373 1.259 20 30 CDEDLO N#Cc1c(Cl)nccc1C(F)(F)N1CC[NH2+]C[C@@H]1C#N ZINC001156321032 938351248 /nfs/dbraw/zinc/35/12/48/938351248.db2.gz MUVOSSFHJBVOEE-QMMMGPOBSA-N 1 2 297.696 1.453 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)Oc1ccnc(Cl)c1 ZINC001156332707 938353064 /nfs/dbraw/zinc/35/30/64/938353064.db2.gz MSKFQYIMICAMPN-QMMMGPOBSA-N 1 2 288.685 1.461 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(N3C[C@H](O)C[C@@H]3CO)c2c1 ZINC001159247366 938715815 /nfs/dbraw/zinc/71/58/15/938715815.db2.gz YICLBPDFLLJABR-CHWSQXEVSA-N 1 2 269.304 1.038 20 30 CDEDLO N#Cc1cnc(N[C@H]2CCC[C@H]2[NH+]2CCOCC2)c(C#N)c1 ZINC001160725170 938821006 /nfs/dbraw/zinc/82/10/06/938821006.db2.gz SKJAVEITXFNISH-LSDHHAIUSA-N 1 2 297.362 1.490 20 30 CDEDLO Cc1cc(NCc2c[nH+]cn2CC2CCC2)nc(C#N)n1 ZINC001161533181 938908776 /nfs/dbraw/zinc/90/87/76/938908776.db2.gz KNBDBYIJIKJPHL-UHFFFAOYSA-N 1 2 282.351 1.687 20 30 CDEDLO CCc1cc(C[NH+]2CC(N3CCOCC3)C2)ccc1C#N ZINC001238778748 945246565 /nfs/dbraw/zinc/24/65/65/945246565.db2.gz QEQQXGBABMVBBU-UHFFFAOYSA-N 1 2 285.391 1.637 20 30 CDEDLO N#CCc1ccc[nH+]c1NCCCc1c[nH][nH]c1=O ZINC001164370547 939465615 /nfs/dbraw/zinc/46/56/15/939465615.db2.gz GTZGUCKZXYJWHV-NSHDSACASA-N 1 2 257.297 1.072 20 30 CDEDLO Cc1nc(Cl)nc(N2CC[NH2+]CC(F)(F)C2)c1C#N ZINC001164493026 939478979 /nfs/dbraw/zinc/47/89/79/939478979.db2.gz LLXAVOLXHYKNNR-UHFFFAOYSA-N 1 2 287.701 1.355 20 30 CDEDLO Cc1c[nH]c2nc(Cl)cc(N3CC[NH2+]C[C@H]3C#N)c12 ZINC001164662179 939502894 /nfs/dbraw/zinc/50/28/94/939502894.db2.gz SFSYAHIYHYJFQQ-SECBINFHSA-N 1 2 275.743 1.827 20 30 CDEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccc[nH]2)CC1 ZINC001204011600 939720921 /nfs/dbraw/zinc/72/09/21/939720921.db2.gz WKKXZWKHQUADLI-UHFFFAOYSA-N 1 2 261.325 1.684 20 30 CDEDLO C=CCOC(=O)N1CC[NH+](Cc2ccncc2C)CC1 ZINC001205867296 939947517 /nfs/dbraw/zinc/94/75/17/939947517.db2.gz BAIJRNLMFUYECX-UHFFFAOYSA-N 1 2 275.352 1.830 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)n(C)n2)C[C@H]1C ZINC001206537204 940056599 /nfs/dbraw/zinc/05/65/99/940056599.db2.gz LRASQIYOPQGOTI-IUODEOHRSA-N 1 2 290.411 1.631 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)n(C)n2)C[C@H]1C ZINC001206537204 940056602 /nfs/dbraw/zinc/05/66/02/940056602.db2.gz LRASQIYOPQGOTI-IUODEOHRSA-N 1 2 290.411 1.631 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CO[C@@H](C)CC)C1 ZINC001206878575 940106619 /nfs/dbraw/zinc/10/66/19/940106619.db2.gz SNXNJWIXBDGNAC-KGYLQXTDSA-N 1 2 288.819 1.991 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CO[C@@H](C)CC)C1 ZINC001206878575 940106621 /nfs/dbraw/zinc/10/66/21/940106621.db2.gz SNXNJWIXBDGNAC-KGYLQXTDSA-N 1 2 288.819 1.991 20 30 CDEDLO CCOC(=O)[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCS1 ZINC001207110378 940152119 /nfs/dbraw/zinc/15/21/19/940152119.db2.gz JRLUHXSMRRHAQI-CYBMUJFWSA-N 1 2 293.392 1.377 20 30 CDEDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CCS1 ZINC001207110378 940152121 /nfs/dbraw/zinc/15/21/21/940152121.db2.gz JRLUHXSMRRHAQI-CYBMUJFWSA-N 1 2 293.392 1.377 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)CC)C1 ZINC001208312769 940317626 /nfs/dbraw/zinc/31/76/26/940317626.db2.gz QLVLJRBCJSUBLF-FBIMIBRVSA-N 1 2 262.756 1.924 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)CC)C1 ZINC001208312769 940317629 /nfs/dbraw/zinc/31/76/29/940317629.db2.gz QLVLJRBCJSUBLF-FBIMIBRVSA-N 1 2 262.756 1.924 20 30 CDEDLO COCOCCC[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001209031334 940427121 /nfs/dbraw/zinc/42/71/21/940427121.db2.gz IBCDJWINGWRNTJ-UHFFFAOYSA-N 1 2 276.336 1.632 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CC=C)CCCCC2)[C@@H](O)C1 ZINC001221050803 941494770 /nfs/dbraw/zinc/49/47/70/941494770.db2.gz OZLWEPKFIUESDQ-CABCVRRESA-N 1 2 290.407 1.308 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CC=C)CCCCC2)[C@@H](O)C1 ZINC001221050803 941494772 /nfs/dbraw/zinc/49/47/72/941494772.db2.gz OZLWEPKFIUESDQ-CABCVRRESA-N 1 2 290.407 1.308 20 30 CDEDLO Cc1nc(C[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)co1 ZINC001226639500 942039370 /nfs/dbraw/zinc/03/93/70/942039370.db2.gz DUABAULQEYMDDN-JTQLQIEISA-N 1 2 276.340 1.223 20 30 CDEDLO Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)o1 ZINC001226640062 942039915 /nfs/dbraw/zinc/03/99/15/942039915.db2.gz KQUAZSIWFFMCNM-NXEZZACHSA-N 1 2 291.355 1.179 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ncc(C#N)cc1Cl ZINC001362092567 970877637 /nfs/dbraw/zinc/87/76/37/970877637.db2.gz WRAJBQMFUBLXDS-SECBINFHSA-N 1 2 289.726 1.622 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Oc1cnc(Cl)c(C#N)c1 ZINC001227744778 942216497 /nfs/dbraw/zinc/21/64/97/942216497.db2.gz LOYZAYBGOBOSTR-SNVBAGLBSA-N 1 2 281.743 1.706 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Oc1cc(O)ccc1C#N ZINC001228004412 942254803 /nfs/dbraw/zinc/25/48/03/942254803.db2.gz CFGFXMMVOPQRRN-LLVKDONJSA-N 1 2 262.309 1.363 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2c(F)cc(C#N)cc2F)C1 ZINC001228080121 942266237 /nfs/dbraw/zinc/26/62/37/942266237.db2.gz NXUXGYAMNCTXBQ-SNVBAGLBSA-N 1 2 268.263 1.546 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2c(F)cc(C#N)cc2F)C1 ZINC001228080121 942266242 /nfs/dbraw/zinc/26/62/42/942266242.db2.gz NXUXGYAMNCTXBQ-SNVBAGLBSA-N 1 2 268.263 1.546 20 30 CDEDLO Cc1cc(Cl)c(C#N)c(OC[C@@H]2C[N@H+](C)CCO2)n1 ZINC001230183369 942589454 /nfs/dbraw/zinc/58/94/54/942589454.db2.gz MHVRIMDLQBSVQO-JTQLQIEISA-N 1 2 281.743 1.625 20 30 CDEDLO Cc1cc(Cl)c(C#N)c(OC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001230183369 942589455 /nfs/dbraw/zinc/58/94/55/942589455.db2.gz MHVRIMDLQBSVQO-JTQLQIEISA-N 1 2 281.743 1.625 20 30 CDEDLO Cc1cc(C#N)ccc1O[C@@H](C)C[NH+]1CCOCC1 ZINC001230683278 942673482 /nfs/dbraw/zinc/67/34/82/942673482.db2.gz ZJTVFSGWSPVXQY-ZDUSSCGKSA-N 1 2 260.337 1.966 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cccnc1 ZINC001231249122 942833685 /nfs/dbraw/zinc/83/36/85/942833685.db2.gz YUKSISIMFAXJQE-OCCSQVGLSA-N 1 2 272.352 1.274 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cccnc1 ZINC001231249122 942833693 /nfs/dbraw/zinc/83/36/93/942833693.db2.gz YUKSISIMFAXJQE-OCCSQVGLSA-N 1 2 272.352 1.274 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](F)C[C@H](CO)C1 ZINC001231617152 942944335 /nfs/dbraw/zinc/94/43/35/942944335.db2.gz YWVOEEFTUXRLAH-GXTWGEPZSA-N 1 2 278.327 1.719 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@H](F)C[C@H](CO)C1 ZINC001231617152 942944344 /nfs/dbraw/zinc/94/43/44/942944344.db2.gz YWVOEEFTUXRLAH-GXTWGEPZSA-N 1 2 278.327 1.719 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3ccc(C#N)c(Cl)c3)C[C@H]21 ZINC001232112978 943141624 /nfs/dbraw/zinc/14/16/24/943141624.db2.gz NXQZNLUCDDYFGD-CABCVRRESA-N 1 2 291.782 1.726 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3ccc(C#N)c(Cl)c3)C[C@H]21 ZINC001232112978 943141627 /nfs/dbraw/zinc/14/16/27/943141627.db2.gz NXQZNLUCDDYFGD-CABCVRRESA-N 1 2 291.782 1.726 20 30 CDEDLO CN1CCO[C@H]2C[N@H+](Cc3ccc(C#N)c(Cl)c3)C[C@H]21 ZINC001232112978 943141630 /nfs/dbraw/zinc/14/16/30/943141630.db2.gz NXQZNLUCDDYFGD-CABCVRRESA-N 1 2 291.782 1.726 20 30 CDEDLO CN1CCO[C@H]2C[N@@H+](Cc3ccc(C#N)c(Cl)c3)C[C@H]21 ZINC001232112978 943141635 /nfs/dbraw/zinc/14/16/35/943141635.db2.gz NXQZNLUCDDYFGD-CABCVRRESA-N 1 2 291.782 1.726 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1Cl ZINC001232111918 943142287 /nfs/dbraw/zinc/14/22/87/943142287.db2.gz MGILRMQLXMXCMD-AWEZNQCLSA-N 1 2 291.782 1.728 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCN3CCOC[C@@H]3C2)cc1Cl ZINC001232111918 943142288 /nfs/dbraw/zinc/14/22/88/943142288.db2.gz MGILRMQLXMXCMD-AWEZNQCLSA-N 1 2 291.782 1.728 20 30 CDEDLO CO[C@@H]1C[N@H+](Cc2cc(C#N)ccc2O)C[C@@H]1OC ZINC001232673585 943354155 /nfs/dbraw/zinc/35/41/55/943354155.db2.gz JPCSHZVLOAWDDK-OKILXGFUSA-N 1 2 262.309 1.109 20 30 CDEDLO CO[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2O)C[C@@H]1OC ZINC001232673585 943354159 /nfs/dbraw/zinc/35/41/59/943354159.db2.gz JPCSHZVLOAWDDK-OKILXGFUSA-N 1 2 262.309 1.109 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c1 ZINC001232673242 943355282 /nfs/dbraw/zinc/35/52/82/943355282.db2.gz DBDNCGWGJRDFEY-AAEUAGOBSA-N 1 2 250.273 1.169 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H](F)[C@@H](O)C2)c1 ZINC001232673242 943355285 /nfs/dbraw/zinc/35/52/85/943355285.db2.gz DBDNCGWGJRDFEY-AAEUAGOBSA-N 1 2 250.273 1.169 20 30 CDEDLO N#Cc1ccc(O)c(C[NH+]2CCN(c3cnccn3)CC2)c1 ZINC001232674155 943356208 /nfs/dbraw/zinc/35/62/08/943356208.db2.gz SBWAAWKSAGXKCW-UHFFFAOYSA-N 1 2 295.346 1.376 20 30 CDEDLO CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(C#N)ccc1O ZINC001232676182 943356886 /nfs/dbraw/zinc/35/68/86/943356886.db2.gz GRPVCOJCCPVDNW-ZIAGYGMSSA-N 1 2 285.347 1.459 20 30 CDEDLO CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(C#N)ccc1O ZINC001232676182 943356891 /nfs/dbraw/zinc/35/68/91/943356891.db2.gz GRPVCOJCCPVDNW-ZIAGYGMSSA-N 1 2 285.347 1.459 20 30 CDEDLO CN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3O)CC[C@H]21 ZINC001232681580 943363224 /nfs/dbraw/zinc/36/32/24/943363224.db2.gz RPZKOUAPLPRVGC-DZGCQCFKSA-N 1 2 299.374 1.707 20 30 CDEDLO CN1C(=O)CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3O)CC[C@H]21 ZINC001232681580 943363228 /nfs/dbraw/zinc/36/32/28/943363228.db2.gz RPZKOUAPLPRVGC-DZGCQCFKSA-N 1 2 299.374 1.707 20 30 CDEDLO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3O)CC[C@@H]21 ZINC001232681581 943363302 /nfs/dbraw/zinc/36/33/02/943363302.db2.gz RPZKOUAPLPRVGC-HIFRSBDPSA-N 1 2 299.374 1.707 20 30 CDEDLO CN1C(=O)CC[C@@H]2C[N@H+](Cc3cc(C#N)ccc3O)CC[C@@H]21 ZINC001232681581 943363308 /nfs/dbraw/zinc/36/33/08/943363308.db2.gz RPZKOUAPLPRVGC-HIFRSBDPSA-N 1 2 299.374 1.707 20 30 CDEDLO N#Cc1ccc(F)cc1CN1CC([N@@H+]2CC[C@H](F)C2)C1 ZINC001232891656 943426138 /nfs/dbraw/zinc/42/61/38/943426138.db2.gz NJSOHXYTPDTKFP-AWEZNQCLSA-N 1 2 277.318 1.925 20 30 CDEDLO N#Cc1ccc(F)cc1CN1CC([N@H+]2CC[C@H](F)C2)C1 ZINC001232891656 943426142 /nfs/dbraw/zinc/42/61/42/943426142.db2.gz NJSOHXYTPDTKFP-AWEZNQCLSA-N 1 2 277.318 1.925 20 30 CDEDLO Cc1cc[nH+]c(N2CCN(Cc3[nH]ccc3C#N)CC2)c1 ZINC001233047091 943474470 /nfs/dbraw/zinc/47/44/70/943474470.db2.gz OIBDBLBFCHUNEZ-UHFFFAOYSA-N 1 2 281.363 1.912 20 30 CDEDLO N#Cc1cc[nH]c1C[N@@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001233047613 943474992 /nfs/dbraw/zinc/47/49/92/943474992.db2.gz FEYMILAFDHDBIC-PHIMTYICSA-N 1 2 267.279 1.600 20 30 CDEDLO N#Cc1cc[nH]c1C[N@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001233047613 943474995 /nfs/dbraw/zinc/47/49/95/943474995.db2.gz FEYMILAFDHDBIC-PHIMTYICSA-N 1 2 267.279 1.600 20 30 CDEDLO N#Cc1cc[nH]c1C[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC001233047927 943475628 /nfs/dbraw/zinc/47/56/28/943475628.db2.gz QQKACIUMTWIAIJ-UHFFFAOYSA-N 1 2 274.324 1.351 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)c(O)c1 ZINC001233384365 943571777 /nfs/dbraw/zinc/57/17/77/943571777.db2.gz SMYDTYJOASDZBZ-JGGQBBKZSA-N 1 2 288.347 1.236 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)c(O)c1 ZINC001233384365 943571778 /nfs/dbraw/zinc/57/17/78/943571778.db2.gz SMYDTYJOASDZBZ-JGGQBBKZSA-N 1 2 288.347 1.236 20 30 CDEDLO CN(C1CC1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2O)C1 ZINC001233387590 943574233 /nfs/dbraw/zinc/57/42/33/943574233.db2.gz OQWZHYYEALWGTH-OAHLLOKOSA-N 1 2 271.364 1.932 20 30 CDEDLO CN(C1CC1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2O)C1 ZINC001233387590 943574236 /nfs/dbraw/zinc/57/42/36/943574236.db2.gz OQWZHYYEALWGTH-OAHLLOKOSA-N 1 2 271.364 1.932 20 30 CDEDLO COc1cc(F)c(F)cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001234230883 943780027 /nfs/dbraw/zinc/78/00/27/943780027.db2.gz CCEUJIKVYCYQNS-LDGUKNRMSA-N 1 2 297.301 1.965 20 30 CDEDLO COc1cc(F)c(F)cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001234230883 943780032 /nfs/dbraw/zinc/78/00/32/943780032.db2.gz CCEUJIKVYCYQNS-LDGUKNRMSA-N 1 2 297.301 1.965 20 30 CDEDLO C#CCN(C)c1nnc([C@@H]2CCCC[N@@H+]2C)n1CCOC ZINC001263215727 943791901 /nfs/dbraw/zinc/79/19/01/943791901.db2.gz GPPSYGWSZLNNPS-ZDUSSCGKSA-N 1 2 291.399 1.151 20 30 CDEDLO C#CCN(C)c1nnc([C@@H]2CCCC[N@H+]2C)n1CCOC ZINC001263215727 943791905 /nfs/dbraw/zinc/79/19/05/943791905.db2.gz GPPSYGWSZLNNPS-ZDUSSCGKSA-N 1 2 291.399 1.151 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3noc4c3CCCC4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234456496 943846348 /nfs/dbraw/zinc/84/63/48/943846348.db2.gz PLYNROAEPWWGKA-LSVRBPJHSA-N 1 2 276.336 1.545 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3noc4c3CCCC4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234456496 943846353 /nfs/dbraw/zinc/84/63/53/943846353.db2.gz PLYNROAEPWWGKA-LSVRBPJHSA-N 1 2 276.336 1.545 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1nnc(CC)n1C ZINC001235479394 944168620 /nfs/dbraw/zinc/16/86/20/944168620.db2.gz BPNXOLMXKHLTAC-UHFFFAOYSA-N 1 2 293.415 1.282 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1nnc(CC)n1C ZINC001235479394 944168623 /nfs/dbraw/zinc/16/86/23/944168623.db2.gz BPNXOLMXKHLTAC-UHFFFAOYSA-N 1 2 293.415 1.282 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3c(F)cc(C#N)cc3F)C[C@H]21 ZINC001235654627 944233204 /nfs/dbraw/zinc/23/32/04/944233204.db2.gz RCUMTZLZXHGVRI-CABCVRRESA-N 1 2 293.317 1.351 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3c(F)cc(C#N)cc3F)C[C@H]21 ZINC001235654627 944233209 /nfs/dbraw/zinc/23/32/09/944233209.db2.gz RCUMTZLZXHGVRI-CABCVRRESA-N 1 2 293.317 1.351 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(Cl)cc(C)n2)CC1 ZINC001236642467 944535537 /nfs/dbraw/zinc/53/55/37/944535537.db2.gz GROPRYXODPEEEV-UHFFFAOYSA-N 1 2 263.772 1.794 20 30 CDEDLO C[N@H+](C1COC1)C1CN(Cc2cc(C#N)c(F)cc2F)C1 ZINC001237526603 944824732 /nfs/dbraw/zinc/82/47/32/944824732.db2.gz CVNDLUZUWHDCGN-UHFFFAOYSA-N 1 2 293.317 1.351 20 30 CDEDLO C[N@@H+](C1COC1)C1CN(Cc2cc(C#N)c(F)cc2F)C1 ZINC001237526603 944824734 /nfs/dbraw/zinc/82/47/34/944824734.db2.gz CVNDLUZUWHDCGN-UHFFFAOYSA-N 1 2 293.317 1.351 20 30 CDEDLO CCc1n[nH]cc1C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001237645668 944901382 /nfs/dbraw/zinc/90/13/82/944901382.db2.gz HXMMQCRVMMTBSN-GFCCVEGCSA-N 1 2 263.366 1.746 20 30 CDEDLO CCc1n[nH]cc1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001237645668 944901392 /nfs/dbraw/zinc/90/13/92/944901392.db2.gz HXMMQCRVMMTBSN-GFCCVEGCSA-N 1 2 263.366 1.746 20 30 CDEDLO Cc1cc(N)[nH+]cc1-c1nc(C#N)c(C#N)nc1C ZINC001242078061 946593070 /nfs/dbraw/zinc/59/30/70/946593070.db2.gz QQUMBJXTLGDIIY-UHFFFAOYSA-N 1 2 250.265 1.481 20 30 CDEDLO C#CCN(CC)c1nnnn1CCCc1cccc(C)[nH+]1 ZINC001262409177 946644503 /nfs/dbraw/zinc/64/45/03/946644503.db2.gz RDEJMPWWRNIFMI-UHFFFAOYSA-N 1 2 284.367 1.469 20 30 CDEDLO C=CCCCNC(=S)N1CCn2c[nH+]cc2C1 ZINC001247734438 948728477 /nfs/dbraw/zinc/72/84/77/948728477.db2.gz DANOXDPWQYABGA-UHFFFAOYSA-N 1 2 250.371 1.539 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(F)cc2F)C1 ZINC001250858515 950431916 /nfs/dbraw/zinc/43/19/16/950431916.db2.gz WVIHCJVBEWOEBL-DGCLKSJQSA-N 1 2 296.317 1.940 20 30 CDEDLO N#C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(F)cc2F)C1 ZINC001250858515 950431934 /nfs/dbraw/zinc/43/19/34/950431934.db2.gz WVIHCJVBEWOEBL-DGCLKSJQSA-N 1 2 296.317 1.940 20 30 CDEDLO C#CCOC[C@H](O)C[N@@H+]1Cc2cccc(Cl)c2C1 ZINC001251854763 950876921 /nfs/dbraw/zinc/87/69/21/950876921.db2.gz LQWSNIDULNTAEM-GFCCVEGCSA-N 1 2 265.740 1.666 20 30 CDEDLO C#CCOC[C@H](O)C[N@H+]1Cc2cccc(Cl)c2C1 ZINC001251854763 950876936 /nfs/dbraw/zinc/87/69/36/950876936.db2.gz LQWSNIDULNTAEM-GFCCVEGCSA-N 1 2 265.740 1.666 20 30 CDEDLO C=CCOC[C@@H](O)CNc1ccc(N2CCCC2)[nH+]c1 ZINC001252458772 951300800 /nfs/dbraw/zinc/30/08/00/951300800.db2.gz PINJGISBIJKAIE-AWEZNQCLSA-N 1 2 277.368 1.657 20 30 CDEDLO C=C[C@](C)(O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001252561182 951454997 /nfs/dbraw/zinc/45/49/97/951454997.db2.gz YEFFTTMNPXNDCZ-AWEZNQCLSA-N 1 2 284.356 1.003 20 30 CDEDLO C=C[C@](C)(O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001252561182 951455002 /nfs/dbraw/zinc/45/50/02/951455002.db2.gz YEFFTTMNPXNDCZ-AWEZNQCLSA-N 1 2 284.356 1.003 20 30 CDEDLO C=C[C@@](C)(O)C[N@H+](CC(=O)OC)Cc1ccccc1 ZINC001252561364 951457594 /nfs/dbraw/zinc/45/75/94/951457594.db2.gz ZUHMEDPXPICGAI-OAHLLOKOSA-N 1 2 263.337 1.599 20 30 CDEDLO C=C[C@@](C)(O)C[N@@H+](CC(=O)OC)Cc1ccccc1 ZINC001252561364 951457601 /nfs/dbraw/zinc/45/76/01/951457601.db2.gz ZUHMEDPXPICGAI-OAHLLOKOSA-N 1 2 263.337 1.599 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH2+]C[C@](C)(O)C=C)[C@@H](C)CC ZINC001252573800 951467125 /nfs/dbraw/zinc/46/71/25/951467125.db2.gz JHSYTCNGNMVJBB-SGMGOOAPSA-N 1 2 255.358 1.657 20 30 CDEDLO C=CCCCCCC[C@@H](O)C[N@@H+]1CCNC(=O)C1 ZINC001253227325 951822135 /nfs/dbraw/zinc/82/21/35/951822135.db2.gz GURYJWJMLKMIIY-CYBMUJFWSA-N 1 2 254.374 1.306 20 30 CDEDLO C=CCCCCCC[C@@H](O)C[N@H+]1CCNC(=O)C1 ZINC001253227325 951822145 /nfs/dbraw/zinc/82/21/45/951822145.db2.gz GURYJWJMLKMIIY-CYBMUJFWSA-N 1 2 254.374 1.306 20 30 CDEDLO NC(=[NH+]OCC[C@@H]1CCOC1)c1ccc(F)cc1 ZINC001325696677 954032175 /nfs/dbraw/zinc/03/21/75/954032175.db2.gz VFMRZZLEWFQUSK-JTQLQIEISA-N 1 2 252.289 1.889 20 30 CDEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCc2n[nH]nc2C1 ZINC001364381358 954527887 /nfs/dbraw/zinc/52/78/87/954527887.db2.gz NMCXBLZRTAIGLL-UHFFFAOYSA-N 1 2 296.334 1.063 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cscn1 ZINC001422155136 955793950 /nfs/dbraw/zinc/79/39/50/955793950.db2.gz XTXKVUGSIMLMGR-UHFFFAOYSA-N 1 2 273.789 1.899 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cscn1 ZINC001422155136 955793936 /nfs/dbraw/zinc/79/39/36/955793936.db2.gz XTXKVUGSIMLMGR-UHFFFAOYSA-N 1 2 273.789 1.899 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cnnn1CC ZINC001422156170 955795656 /nfs/dbraw/zinc/79/56/56/955795656.db2.gz ODPRFSWWBITNGT-UHFFFAOYSA-N 1 2 285.779 1.054 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cnnn1CC ZINC001422156170 955795662 /nfs/dbraw/zinc/79/56/62/955795662.db2.gz ODPRFSWWBITNGT-UHFFFAOYSA-N 1 2 285.779 1.054 20 30 CDEDLO CC[C@@H](F)C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001492372951 955838028 /nfs/dbraw/zinc/83/80/28/955838028.db2.gz SUSJGRXWOKNVDO-CYBMUJFWSA-N 1 2 295.333 1.993 20 30 CDEDLO CC[C@@H](F)C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001492372951 955838045 /nfs/dbraw/zinc/83/80/45/955838045.db2.gz SUSJGRXWOKNVDO-CYBMUJFWSA-N 1 2 295.333 1.993 20 30 CDEDLO Cn1cnc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)c1 ZINC001366518917 956907189 /nfs/dbraw/zinc/90/71/89/956907189.db2.gz DGQFFIPRCVNPMX-UHFFFAOYSA-N 1 2 297.362 1.154 20 30 CDEDLO Cn1cnc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)c1 ZINC001366518917 956907195 /nfs/dbraw/zinc/90/71/95/956907195.db2.gz DGQFFIPRCVNPMX-UHFFFAOYSA-N 1 2 297.362 1.154 20 30 CDEDLO C#CCSCC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001331917055 957334044 /nfs/dbraw/zinc/33/40/44/957334044.db2.gz RIRMSRSXHHOLFN-CYBMUJFWSA-N 1 2 291.420 1.568 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1c(C)n[nH]c1C ZINC001369007855 959394367 /nfs/dbraw/zinc/39/43/67/959394367.db2.gz UEFOQTKSJPRGSL-JTQLQIEISA-N 1 2 298.818 1.758 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1c(C)n[nH]c1C ZINC001369007855 959394390 /nfs/dbraw/zinc/39/43/90/959394390.db2.gz UEFOQTKSJPRGSL-JTQLQIEISA-N 1 2 298.818 1.758 20 30 CDEDLO C=CC[C@@H]1NC(=O)N(CCc2cn3c([nH+]2)CCCC3)C1=O ZINC001339059952 962143792 /nfs/dbraw/zinc/14/37/92/962143792.db2.gz CXYWWUDYAQJENA-LBPRGKRZSA-N 1 2 288.351 1.258 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](C)Cn1ccc(C)n1 ZINC001420233296 962608555 /nfs/dbraw/zinc/60/85/55/962608555.db2.gz IRPHNBGKICKGFF-LLVKDONJSA-N 1 2 298.818 1.628 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](C)Cn1ccc(C)n1 ZINC001420233296 962608574 /nfs/dbraw/zinc/60/85/74/962608574.db2.gz IRPHNBGKICKGFF-LLVKDONJSA-N 1 2 298.818 1.628 20 30 CDEDLO CCCCCCCC[C@H]([NH3+])C(=O)N1CCc2[nH]nnc2C1 ZINC001341733415 963525408 /nfs/dbraw/zinc/52/54/08/963525408.db2.gz RSOZHMOJFLEITO-LBPRGKRZSA-N 1 2 293.415 1.767 20 30 CDEDLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)[C@H](C#N)C(=O)N1CCCC1 ZINC001342021062 963611320 /nfs/dbraw/zinc/61/13/20/963611320.db2.gz NLSIRQHRHVEHGT-QWHCGFSZSA-N 1 2 277.368 1.190 20 30 CDEDLO CC(C)[N@H+]1CCC[C@@H]1C(=O)[C@H](C#N)C(=O)N1CCCC1 ZINC001342021062 963611325 /nfs/dbraw/zinc/61/13/25/963611325.db2.gz NLSIRQHRHVEHGT-QWHCGFSZSA-N 1 2 277.368 1.190 20 30 CDEDLO C=C(C)CONC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001346180574 964971547 /nfs/dbraw/zinc/97/15/47/964971547.db2.gz CYNPZSNKQAFDTR-ZDUSSCGKSA-N 1 2 292.383 1.892 20 30 CDEDLO C#C[C@H](C)N(C)c1nnc([C@H]2CCC[N@@H+]2C)n1CC1CC1 ZINC001347951786 965762284 /nfs/dbraw/zinc/76/22/84/965762284.db2.gz RLISAIIOQVZXHD-GXTWGEPZSA-N 1 2 287.411 1.913 20 30 CDEDLO C#C[C@H](C)N(C)c1nnc([C@H]2CCC[N@H+]2C)n1CC1CC1 ZINC001347951786 965762292 /nfs/dbraw/zinc/76/22/92/965762292.db2.gz RLISAIIOQVZXHD-GXTWGEPZSA-N 1 2 287.411 1.913 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2c(C)c(C)n[nH]c2=O)nn1 ZINC001350131716 966588081 /nfs/dbraw/zinc/58/80/81/966588081.db2.gz WOZNERFMKGPLFL-UHFFFAOYSA-N 1 2 288.355 1.256 20 30 CDEDLO C=CCCN(C)c1nnnn1Cc1cc(C)[nH+]c(C)c1 ZINC001355779830 969265942 /nfs/dbraw/zinc/26/59/42/969265942.db2.gz YJFQVMSQWCGTQU-UHFFFAOYSA-N 1 2 272.356 1.746 20 30 CDEDLO CCC[N@@H+](CC(=O)OC)C[C@@H](O)c1cccc(C#N)c1 ZINC001459958772 969463538 /nfs/dbraw/zinc/46/35/38/969463538.db2.gz AYGHJZDOECLCGB-CQSZACIVSA-N 1 2 276.336 1.477 20 30 CDEDLO CCC[N@H+](CC(=O)OC)C[C@@H](O)c1cccc(C#N)c1 ZINC001459958772 969463544 /nfs/dbraw/zinc/46/35/44/969463544.db2.gz AYGHJZDOECLCGB-CQSZACIVSA-N 1 2 276.336 1.477 20 30 CDEDLO C[C@H](C#N)C(=O)NCC[N@H+](C)Cc1cc(C2CC2)no1 ZINC001371934272 972699242 /nfs/dbraw/zinc/69/92/42/972699242.db2.gz NXQBBDGGRGPYKW-SNVBAGLBSA-N 1 2 276.340 1.260 20 30 CDEDLO C[C@H](C#N)C(=O)NCC[N@@H+](C)Cc1cc(C2CC2)no1 ZINC001371934272 972699249 /nfs/dbraw/zinc/69/92/49/972699249.db2.gz NXQBBDGGRGPYKW-SNVBAGLBSA-N 1 2 276.340 1.260 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C(C)(F)F ZINC001498211648 973747670 /nfs/dbraw/zinc/74/76/70/973747670.db2.gz AOUGWZXSBYJMAS-QMMMGPOBSA-N 1 2 254.708 1.831 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C(C)(F)F ZINC001498211648 973747674 /nfs/dbraw/zinc/74/76/74/973747674.db2.gz AOUGWZXSBYJMAS-QMMMGPOBSA-N 1 2 254.708 1.831 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CCc1ncccn1 ZINC001418566260 973972481 /nfs/dbraw/zinc/97/24/81/973972481.db2.gz UMZMPFDHPXWCTJ-UHFFFAOYSA-N 1 2 296.802 1.600 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CCc1ncccn1 ZINC001418566260 973972490 /nfs/dbraw/zinc/97/24/90/973972490.db2.gz UMZMPFDHPXWCTJ-UHFFFAOYSA-N 1 2 296.802 1.600 20 30 CDEDLO CCc1nnc([C@@H](C)[NH2+]CCN(CC)C(=O)[C@H](C)C#N)o1 ZINC001374707821 974073248 /nfs/dbraw/zinc/07/32/48/974073248.db2.gz CVLARBWONMXLOC-GHMZBOCLSA-N 1 2 293.371 1.291 20 30 CDEDLO COc1cc(C[N@H+](C)CCN(C)C(=O)[C@H](C)C#N)sn1 ZINC001401357048 975610526 /nfs/dbraw/zinc/61/05/26/975610526.db2.gz GANAIEFVRXSAFV-SNVBAGLBSA-N 1 2 296.396 1.202 20 30 CDEDLO COc1cc(C[N@@H+](C)CCN(C)C(=O)[C@H](C)C#N)sn1 ZINC001401357048 975610534 /nfs/dbraw/zinc/61/05/34/975610534.db2.gz GANAIEFVRXSAFV-SNVBAGLBSA-N 1 2 296.396 1.202 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1c(C)cnn1C ZINC001379074411 975643825 /nfs/dbraw/zinc/64/38/25/975643825.db2.gz HRLZBNVPXNHTTR-UHFFFAOYSA-N 1 2 284.791 1.485 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1c(C)cnn1C ZINC001379074411 975643830 /nfs/dbraw/zinc/64/38/30/975643830.db2.gz HRLZBNVPXNHTTR-UHFFFAOYSA-N 1 2 284.791 1.485 20 30 CDEDLO C[N@H+](CCNC(=O)[C@@H]1CCOC1)Cc1ccccc1C#N ZINC001403516493 977014790 /nfs/dbraw/zinc/01/47/90/977014790.db2.gz GEMZTONSBUDGKG-OAHLLOKOSA-N 1 2 287.363 1.143 20 30 CDEDLO C[N@@H+](CCNC(=O)[C@@H]1CCOC1)Cc1ccccc1C#N ZINC001403516493 977014799 /nfs/dbraw/zinc/01/47/99/977014799.db2.gz GEMZTONSBUDGKG-OAHLLOKOSA-N 1 2 287.363 1.143 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCn1cccn1 ZINC001392637339 977520257 /nfs/dbraw/zinc/52/02/57/977520257.db2.gz ORFYZOJRFJBLAR-GFCCVEGCSA-N 1 2 284.791 1.462 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCn1cccn1 ZINC001392637339 977520263 /nfs/dbraw/zinc/52/02/63/977520263.db2.gz ORFYZOJRFJBLAR-GFCCVEGCSA-N 1 2 284.791 1.462 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]Cc1nonc1C ZINC001132650871 1163425290 /nfs/dbraw/zinc/42/52/90/1163425290.db2.gz PJPPKVRRQYNDAG-SNVBAGLBSA-N 1 2 266.345 1.186 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001133379053 1163662581 /nfs/dbraw/zinc/66/25/81/1163662581.db2.gz RUJMJZUGJWXDRE-ZDUSSCGKSA-N 1 2 266.345 1.186 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001133378157 1163662747 /nfs/dbraw/zinc/66/27/47/1163662747.db2.gz BHISDMXLAPYJBF-ZDUSSCGKSA-N 1 2 266.345 1.186 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[NH2+]Cc2nn(C)cc2Cl)C1 ZINC001133564508 1163788551 /nfs/dbraw/zinc/78/85/51/1163788551.db2.gz RDGKPSZDXKJXLH-UHFFFAOYSA-N 1 2 296.802 1.636 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC=CCC2)cc1 ZINC000611517181 346807895 /nfs/dbraw/zinc/80/78/95/346807895.db2.gz GQFLCMZVYKUYOD-UHFFFAOYSA-N 1 2 276.361 1.594 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC=CCC2)cc1 ZINC000611517181 346807897 /nfs/dbraw/zinc/80/78/97/346807897.db2.gz GQFLCMZVYKUYOD-UHFFFAOYSA-N 1 2 276.361 1.594 20 30 CDEDLO CCc1nc(C#N)cc(NCCCCn2cc[nH+]c2)n1 ZINC000308200803 342513381 /nfs/dbraw/zinc/51/33/81/342513381.db2.gz XZCYWVYDQLMKHO-UHFFFAOYSA-N 1 2 270.340 1.999 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000156247263 398145639 /nfs/dbraw/zinc/14/56/39/398145639.db2.gz AJAXMMLOFZOXAV-RYUDHWBXSA-N 1 2 260.341 1.454 20 30 CDEDLO COC(=O)c1cccc(C[NH+]2CCC(C#N)CC2)n1 ZINC000618528077 349476376 /nfs/dbraw/zinc/47/63/76/349476376.db2.gz RDBRAZJJMYQCII-UHFFFAOYSA-N 1 2 259.309 1.604 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2ccccc2OC)CC1 ZINC000607726482 342000335 /nfs/dbraw/zinc/00/03/35/342000335.db2.gz CSUNFGOJHSHJPU-UHFFFAOYSA-N 1 2 272.348 1.476 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCc2[nH+]c[nH]c2C1 ZINC000590598813 342579611 /nfs/dbraw/zinc/57/96/11/342579611.db2.gz BNIPZNBKZQYXQN-NSHDSACASA-N 1 2 295.346 1.667 20 30 CDEDLO C[C@H](NC(=O)[C@@H]1C[C@]12CCOC2)[C@H](C)[NH+]1CCOCC1 ZINC000329692300 361811748 /nfs/dbraw/zinc/81/17/48/361811748.db2.gz ZXBNZEPKUCTXNZ-ABHRYQDASA-N 1 2 282.384 1.479 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000609030843 342087626 /nfs/dbraw/zinc/08/76/26/342087626.db2.gz OLQODJFHWGHVML-CHWSQXEVSA-N 1 2 271.364 1.852 20 30 CDEDLO N#Cc1c2c(cnc1N1CC[C@@H]([NH+]3CCOCC3)C1)CCC2 ZINC000591820758 342647421 /nfs/dbraw/zinc/64/74/21/342647421.db2.gz PGLMKQGCBFMWJB-CQSZACIVSA-N 1 2 298.390 1.353 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000592147344 342667966 /nfs/dbraw/zinc/66/79/66/342667966.db2.gz OKRQSIYJHAMUSC-MRXNPFEDSA-N 1 2 280.331 1.661 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000592147344 342667967 /nfs/dbraw/zinc/66/79/67/342667967.db2.gz OKRQSIYJHAMUSC-MRXNPFEDSA-N 1 2 280.331 1.661 20 30 CDEDLO C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148184 342668019 /nfs/dbraw/zinc/66/80/19/342668019.db2.gz RQQLTEBJLCTRRU-CXAGYDPISA-N 1 2 299.374 1.315 20 30 CDEDLO C[C@H](C(=O)N1CCc2ccccc21)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148184 342668020 /nfs/dbraw/zinc/66/80/20/342668020.db2.gz RQQLTEBJLCTRRU-CXAGYDPISA-N 1 2 299.374 1.315 20 30 CDEDLO CC[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)C(F)F ZINC000592514689 342701019 /nfs/dbraw/zinc/70/10/19/342701019.db2.gz WASWMXZDSSGVIX-JTQLQIEISA-N 1 2 265.267 1.734 20 30 CDEDLO Cc1ccccc1-n1cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)nn1 ZINC000592523418 342702656 /nfs/dbraw/zinc/70/26/56/342702656.db2.gz ZYAREQDCJNICKI-INIZCTEOSA-N 1 2 297.362 1.426 20 30 CDEDLO Cc1ccccc1-n1cc(C[N@H+]2CC[C@@](O)(CC#N)C2)nn1 ZINC000592523418 342702657 /nfs/dbraw/zinc/70/26/57/342702657.db2.gz ZYAREQDCJNICKI-INIZCTEOSA-N 1 2 297.362 1.426 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000592523360 342702776 /nfs/dbraw/zinc/70/27/76/342702776.db2.gz YWUHDNQOLYPRNL-AWEZNQCLSA-N 1 2 290.754 1.838 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000592523360 342702778 /nfs/dbraw/zinc/70/27/78/342702778.db2.gz YWUHDNQOLYPRNL-AWEZNQCLSA-N 1 2 290.754 1.838 20 30 CDEDLO N#CC[C@]1(O)CCN(Cc2c[nH+]c3ccc(Cl)cn23)C1 ZINC000592523360 342702779 /nfs/dbraw/zinc/70/27/79/342702779.db2.gz YWUHDNQOLYPRNL-AWEZNQCLSA-N 1 2 290.754 1.838 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000339750532 361871113 /nfs/dbraw/zinc/87/11/13/361871113.db2.gz NNLSFRGXSGIWFX-GJZGRUSLSA-N 1 2 280.412 1.653 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000339750532 361871118 /nfs/dbraw/zinc/87/11/18/361871118.db2.gz NNLSFRGXSGIWFX-GJZGRUSLSA-N 1 2 280.412 1.653 20 30 CDEDLO C=CCC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccnn1C ZINC000625497232 342175144 /nfs/dbraw/zinc/17/51/44/342175144.db2.gz WABWSEGEDHGRIU-AWEZNQCLSA-N 1 2 257.341 1.667 20 30 CDEDLO C=CCC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccnn1C ZINC000625497232 342175145 /nfs/dbraw/zinc/17/51/45/342175145.db2.gz WABWSEGEDHGRIU-AWEZNQCLSA-N 1 2 257.341 1.667 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1Cc2ccccc21 ZINC000593154473 342774264 /nfs/dbraw/zinc/77/42/64/342774264.db2.gz UIXZROGIJXRGDT-ZFWWWQNUSA-N 1 2 257.337 1.286 20 30 CDEDLO C=CCOc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000593155741 342774377 /nfs/dbraw/zinc/77/43/77/342774377.db2.gz XUWGTUXXQRNTMI-MRXNPFEDSA-N 1 2 287.363 1.825 20 30 CDEDLO CC(C)c1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc(=O)[nH]1 ZINC000593154991 342774468 /nfs/dbraw/zinc/77/44/68/342774468.db2.gz WTQTUSQBAODEMF-HNNXBMFYSA-N 1 2 290.367 1.484 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3CC[C@](F)(C#N)C3)ccn12 ZINC000594343972 342891488 /nfs/dbraw/zinc/89/14/88/342891488.db2.gz VPWHWBVDBQQMJP-AWEZNQCLSA-N 1 2 272.283 1.721 20 30 CDEDLO CC#CC[NH+]1CCN(c2nccc(C(C)C)n2)CC1 ZINC000185865774 539147424 /nfs/dbraw/zinc/14/74/24/539147424.db2.gz DELWNJSZPAYYRA-UHFFFAOYSA-N 1 2 258.369 1.745 20 30 CDEDLO Cc1ccc(C#N)c(N2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000127603674 342280267 /nfs/dbraw/zinc/28/02/67/342280267.db2.gz VHJKGSFVLNWHSU-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO CCn1ncnc1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404161668 349767496 /nfs/dbraw/zinc/76/74/96/349767496.db2.gz QTDDMQXNRKFHPV-UHFFFAOYSA-N 1 2 259.288 1.599 20 30 CDEDLO N#Cc1sccc1N1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000595629864 343113493 /nfs/dbraw/zinc/11/34/93/343113493.db2.gz OHHDWLKIQZCOAH-UHFFFAOYSA-N 1 2 299.403 1.750 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442819309 362093169 /nfs/dbraw/zinc/09/31/69/362093169.db2.gz ATKLILDYJKAQNQ-IAQYHMDHSA-N 1 2 295.383 1.068 20 30 CDEDLO N#Cc1cnnc(NCc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000596078392 343227079 /nfs/dbraw/zinc/22/70/79/343227079.db2.gz UZZHZRNHIAQOBF-UHFFFAOYSA-N 1 2 294.362 1.768 20 30 CDEDLO N#Cc1cnc(N2CCC[C@H]([NH+]3CCOCC3)C2)c(F)c1 ZINC000596246873 343286672 /nfs/dbraw/zinc/28/66/72/343286672.db2.gz JAFNYMFCDSWGKL-ZDUSSCGKSA-N 1 2 290.342 1.393 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCc3[nH]c[nH+]c3C2)cc1 ZINC000065164093 362167667 /nfs/dbraw/zinc/16/76/67/362167667.db2.gz UPINJKIEPMBQRO-UHFFFAOYSA-N 1 2 252.277 1.480 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCc3[nH+]c[nH]c3C2)cc1 ZINC000065164093 362167670 /nfs/dbraw/zinc/16/76/70/362167670.db2.gz UPINJKIEPMBQRO-UHFFFAOYSA-N 1 2 252.277 1.480 20 30 CDEDLO N#Cc1c2c(cn(Cc3ccc[nH+]c3N)c1=O)CCC2 ZINC000596274925 343295121 /nfs/dbraw/zinc/29/51/21/343295121.db2.gz LSJKTLDJIADVPL-UHFFFAOYSA-N 1 2 266.304 1.234 20 30 CDEDLO C=C[C@@H](CO)NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000290488849 197724943 /nfs/dbraw/zinc/72/49/43/197724943.db2.gz FHSZDLMRWQFTBC-NSHDSACASA-N 1 2 259.309 1.008 20 30 CDEDLO CN(C)c1cc(C#N)cc(C(=O)N(C)Cc2c[nH+]c[nH]2)c1 ZINC000597857507 343647509 /nfs/dbraw/zinc/64/75/09/343647509.db2.gz MOYCAXWPUKOFSB-UHFFFAOYSA-N 1 2 283.335 1.620 20 30 CDEDLO CN(C)c1cc(C#N)cc(C(=O)N(C)Cc2c[nH]c[nH+]2)c1 ZINC000597857507 343647510 /nfs/dbraw/zinc/64/75/10/343647510.db2.gz MOYCAXWPUKOFSB-UHFFFAOYSA-N 1 2 283.335 1.620 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)NCCc1ccc(C#N)cc1 ZINC000597889530 343658940 /nfs/dbraw/zinc/65/89/40/343658940.db2.gz JTTLRNRIAGLBHI-UHFFFAOYSA-N 1 2 282.347 1.583 20 30 CDEDLO CC1CC(C#N)(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)C1 ZINC000597995422 343684572 /nfs/dbraw/zinc/68/45/72/343684572.db2.gz GBRFCEIRNKXYJK-ICRTXTNUSA-N 1 2 279.384 1.152 20 30 CDEDLO CC1CC(C#N)(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)C1 ZINC000597995422 343684574 /nfs/dbraw/zinc/68/45/74/343684574.db2.gz GBRFCEIRNKXYJK-ICRTXTNUSA-N 1 2 279.384 1.152 20 30 CDEDLO C=C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)C(=O)OC ZINC000619702028 349858047 /nfs/dbraw/zinc/85/80/47/349858047.db2.gz DCOZJRFZUXYFQZ-WRWGMCAJSA-N 1 2 253.342 1.507 20 30 CDEDLO C[C@@H]1CCN(C(=O)NCC2(C#N)CC2)C[C@H]1n1cc[nH+]c1 ZINC000573543664 334945665 /nfs/dbraw/zinc/94/56/65/334945665.db2.gz XOSXLKLLASHPKT-CHWSQXEVSA-N 1 2 287.367 1.779 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000598592741 343839122 /nfs/dbraw/zinc/83/91/22/343839122.db2.gz MIZRVUVVVLGCRQ-VHSXEESVSA-N 1 2 280.290 1.550 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000598592741 343839123 /nfs/dbraw/zinc/83/91/23/343839123.db2.gz MIZRVUVVVLGCRQ-VHSXEESVSA-N 1 2 280.290 1.550 20 30 CDEDLO C[C@@H]1C[N@H+](C[C@H](O)CC(C)(C)C#N)C[C@H](C(F)(F)F)O1 ZINC000598596096 343840516 /nfs/dbraw/zinc/84/05/16/343840516.db2.gz QQIOXSCRAFRKHU-GMTAPVOTSA-N 1 2 294.317 1.939 20 30 CDEDLO C[C@@H]1C[N@@H+](C[C@H](O)CC(C)(C)C#N)C[C@H](C(F)(F)F)O1 ZINC000598596096 343840517 /nfs/dbraw/zinc/84/05/17/343840517.db2.gz QQIOXSCRAFRKHU-GMTAPVOTSA-N 1 2 294.317 1.939 20 30 CDEDLO CC(C)n1cnnc1C[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598617232 343843290 /nfs/dbraw/zinc/84/32/90/343843290.db2.gz HBQAPHUFCIZRIR-LBPRGKRZSA-N 1 2 279.388 1.592 20 30 CDEDLO CC(C)n1cnnc1C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598617232 343843292 /nfs/dbraw/zinc/84/32/92/343843292.db2.gz HBQAPHUFCIZRIR-LBPRGKRZSA-N 1 2 279.388 1.592 20 30 CDEDLO N#Cc1cccc(Cn2cc(C[NH+]3CCSCC3)nn2)c1 ZINC000600972382 349896700 /nfs/dbraw/zinc/89/67/00/349896700.db2.gz IAKYRSNYBYYZIT-UHFFFAOYSA-N 1 2 299.403 1.747 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598950579 343933815 /nfs/dbraw/zinc/93/38/15/343933815.db2.gz SAHJKPXWWJAQRT-LBPRGKRZSA-N 1 2 281.319 1.203 20 30 CDEDLO N#Cc1cccc(F)c1CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598950866 343934049 /nfs/dbraw/zinc/93/40/49/343934049.db2.gz UYOVIVSXLBREPN-LBPRGKRZSA-N 1 2 298.321 1.568 20 30 CDEDLO CCOC(=O)C1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)CC#N)CC1 ZINC000602861090 344616636 /nfs/dbraw/zinc/61/66/36/344616636.db2.gz FGDKHOIENBCWBJ-RYUDHWBXSA-N 1 2 295.383 1.068 20 30 CDEDLO CCCOc1ccc(CNC(=O)C[NH2+][C@H](C)CC#N)cc1 ZINC000602862677 344617905 /nfs/dbraw/zinc/61/79/05/344617905.db2.gz LPPNIOHGHPQPMA-CYBMUJFWSA-N 1 2 289.379 1.983 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1CC1(CC#N)CC1 ZINC000602841050 344621860 /nfs/dbraw/zinc/62/18/60/344621860.db2.gz PRXSWCMMPSQVQG-LBPRGKRZSA-N 1 2 270.398 1.579 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1CC1(CC#N)CC1 ZINC000602841050 344621862 /nfs/dbraw/zinc/62/18/62/344621862.db2.gz PRXSWCMMPSQVQG-LBPRGKRZSA-N 1 2 270.398 1.579 20 30 CDEDLO Cc1ccccc1C[C@@H](C)NC(=O)C[NH2+][C@@H](C)CC#N ZINC000602865370 344638199 /nfs/dbraw/zinc/63/81/99/344638199.db2.gz XPROXGCUZRYGDB-UONOGXRCSA-N 1 2 273.380 1.934 20 30 CDEDLO CC(C)Cc1nnc(NC(=O)C[NH2+][C@@H](C)CC#N)s1 ZINC000602869766 344640420 /nfs/dbraw/zinc/64/04/20/344640420.db2.gz OOJSWHCVRONJJA-VIFPVBQESA-N 1 2 281.385 1.567 20 30 CDEDLO C[C@H](Nc1cc(C#N)nc(C2CC2)n1)c1[nH+]ccn1C ZINC000601199532 349925263 /nfs/dbraw/zinc/92/52/63/349925263.db2.gz WZZLRZWWNHQLCQ-VIFPVBQESA-N 1 2 268.324 1.554 20 30 CDEDLO Cn1c[nH+]c(CN(CCC#N)Cc2ccccn2)c1 ZINC000618904875 345445604 /nfs/dbraw/zinc/44/56/04/345445604.db2.gz DQQIMTWIJGNRFS-UHFFFAOYSA-N 1 2 255.325 1.731 20 30 CDEDLO CC[N@@H+]1CCN(S(=O)(=O)CCCCC#N)C[C@@H]1C ZINC000611083863 346601821 /nfs/dbraw/zinc/60/18/21/346601821.db2.gz GKVCWFCYGGDGKA-LBPRGKRZSA-N 1 2 273.402 1.036 20 30 CDEDLO CC[N@H+]1CCN(S(=O)(=O)CCCCC#N)C[C@@H]1C ZINC000611083863 346601824 /nfs/dbraw/zinc/60/18/24/346601824.db2.gz GKVCWFCYGGDGKA-LBPRGKRZSA-N 1 2 273.402 1.036 20 30 CDEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1ccc(C#N)nn1 ZINC000611240575 346710893 /nfs/dbraw/zinc/71/08/93/346710893.db2.gz YNHSALCGQLMLCQ-UHFFFAOYSA-N 1 2 296.256 1.743 20 30 CDEDLO COCCN(CCC#N)C(=O)Nc1cc(C)[nH+]cc1C ZINC000611246588 346715785 /nfs/dbraw/zinc/71/57/85/346715785.db2.gz RZQPIJKBZMGHAR-UHFFFAOYSA-N 1 2 276.340 1.514 20 30 CDEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)c(OC(F)F)c1 ZINC000352020032 362776468 /nfs/dbraw/zinc/77/64/68/362776468.db2.gz GOYLMMLSQBUQBZ-NEPJUHHUSA-N 1 2 298.289 1.087 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c(OC(F)F)c1 ZINC000352020032 362776476 /nfs/dbraw/zinc/77/64/76/362776476.db2.gz GOYLMMLSQBUQBZ-NEPJUHHUSA-N 1 2 298.289 1.087 20 30 CDEDLO C#CC[N@@H+](Cc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066537366 347490206 /nfs/dbraw/zinc/49/02/06/347490206.db2.gz MCGMDLIIJAGRPG-MRXNPFEDSA-N 1 2 291.416 1.926 20 30 CDEDLO C#CC[N@H+](Cc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066537366 347490208 /nfs/dbraw/zinc/49/02/08/347490208.db2.gz MCGMDLIIJAGRPG-MRXNPFEDSA-N 1 2 291.416 1.926 20 30 CDEDLO C=CC(C)(C)C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000614467721 348120879 /nfs/dbraw/zinc/12/08/79/348120879.db2.gz ANONUGRTYLRLKX-UHFFFAOYSA-N 1 2 292.383 1.884 20 30 CDEDLO C=C[C@H](O)C(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000614360253 348088325 /nfs/dbraw/zinc/08/83/25/348088325.db2.gz IUERFIWSYYSDQM-NEPJUHHUSA-N 1 2 263.341 1.504 20 30 CDEDLO C=C(C)CCNc1nc2cc(OC)c(OC)cc2c(N)[nH+]1 ZINC000450720090 362870098 /nfs/dbraw/zinc/87/00/98/362870098.db2.gz XMCMOGSPVKIPMQ-UHFFFAOYSA-N 1 2 288.351 1.860 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc2c1OCCO2 ZINC000414144549 362923185 /nfs/dbraw/zinc/92/31/85/362923185.db2.gz JRKYKWPXGFMSIA-LBPRGKRZSA-N 1 2 292.335 1.043 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc2c1OCCO2 ZINC000414144549 362923186 /nfs/dbraw/zinc/92/31/86/362923186.db2.gz JRKYKWPXGFMSIA-LBPRGKRZSA-N 1 2 292.335 1.043 20 30 CDEDLO C=C1CC[NH+](CC(=O)NCC(=O)OC(C)(C)C)CC1 ZINC000273418647 192144356 /nfs/dbraw/zinc/14/43/56/192144356.db2.gz YQAKXXSMDASLKC-UHFFFAOYSA-N 1 2 268.357 1.096 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nnnn1C ZINC000615702482 348640424 /nfs/dbraw/zinc/64/04/24/348640424.db2.gz WAFDJZHSMWHQKK-VHSXEESVSA-N 1 2 256.313 1.494 20 30 CDEDLO CN(C[C@@H](O)C[N@H+](C)CCC#N)c1nc2ccccc2[nH]1 ZINC000414166451 362929762 /nfs/dbraw/zinc/92/97/62/362929762.db2.gz RBJBNPNYVVQFEE-LBPRGKRZSA-N 1 2 287.367 1.205 20 30 CDEDLO CN(C[C@@H](O)C[N@@H+](C)CCC#N)c1nc2ccccc2[nH]1 ZINC000414166451 362929768 /nfs/dbraw/zinc/92/97/68/362929768.db2.gz RBJBNPNYVVQFEE-LBPRGKRZSA-N 1 2 287.367 1.205 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(C(=O)N(C)C)c1 ZINC000064797314 348947200 /nfs/dbraw/zinc/94/72/00/348947200.db2.gz RQCKWOWRSRFAAG-LBPRGKRZSA-N 1 2 259.353 1.980 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(C(=O)N(C)C)c1 ZINC000064797314 348947202 /nfs/dbraw/zinc/94/72/02/348947202.db2.gz RQCKWOWRSRFAAG-LBPRGKRZSA-N 1 2 259.353 1.980 20 30 CDEDLO COCC[N@H+](Cc1ccccn1)Cc1cccc(C#N)n1 ZINC000602657906 350137794 /nfs/dbraw/zinc/13/77/94/350137794.db2.gz UDGGJBIHPIMAQB-UHFFFAOYSA-N 1 2 282.347 1.997 20 30 CDEDLO COCC[N@@H+](Cc1ccccn1)Cc1cccc(C#N)n1 ZINC000602657906 350137799 /nfs/dbraw/zinc/13/77/99/350137799.db2.gz UDGGJBIHPIMAQB-UHFFFAOYSA-N 1 2 282.347 1.997 20 30 CDEDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1Cc1ccc(C#N)cn1 ZINC000602846193 350154748 /nfs/dbraw/zinc/15/47/48/350154748.db2.gz CLCLTVLQWMMPST-GRYCIOLGSA-N 1 2 272.352 1.393 20 30 CDEDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1Cc1ccc(C#N)cn1 ZINC000602846193 350154752 /nfs/dbraw/zinc/15/47/52/350154752.db2.gz CLCLTVLQWMMPST-GRYCIOLGSA-N 1 2 272.352 1.393 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNc2ncc(C#N)cc2Cl)C1 ZINC000108945651 186237050 /nfs/dbraw/zinc/23/70/50/186237050.db2.gz DSLUYYZAFQHOOB-SNVBAGLBSA-N 1 2 266.732 1.349 20 30 CDEDLO C[N@H+]1CCO[C@H](CNc2ncc(C#N)cc2Cl)C1 ZINC000108945651 186237052 /nfs/dbraw/zinc/23/70/52/186237052.db2.gz DSLUYYZAFQHOOB-SNVBAGLBSA-N 1 2 266.732 1.349 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Nc1c(F)cc(C#N)cc1F ZINC000111143276 186358331 /nfs/dbraw/zinc/35/83/31/186358331.db2.gz WUFGPDIIFCKNDB-JTQLQIEISA-N 1 2 281.306 1.969 20 30 CDEDLO C=C(C)CNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000156574900 188270337 /nfs/dbraw/zinc/27/03/37/188270337.db2.gz PEIIRYQEUOWQMU-UHFFFAOYSA-N 1 2 274.368 1.485 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)[nH]1 ZINC000336443993 356175542 /nfs/dbraw/zinc/17/55/42/356175542.db2.gz ZACXKXBTRUXVQJ-LLVKDONJSA-N 1 2 255.281 1.587 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)cs2)CC[S@@]1=O ZINC000336607220 356218856 /nfs/dbraw/zinc/21/88/56/356218856.db2.gz GWTQZYNPAHRGFY-QGHHPUGFSA-N 1 2 268.407 1.963 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)cs2)CC[S@@]1=O ZINC000336607220 356218858 /nfs/dbraw/zinc/21/88/58/356218858.db2.gz GWTQZYNPAHRGFY-QGHHPUGFSA-N 1 2 268.407 1.963 20 30 CDEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCCOCC2)c1 ZINC000059951050 356377566 /nfs/dbraw/zinc/37/75/66/356377566.db2.gz KDAXKWYNUSEZKF-UHFFFAOYSA-N 1 2 259.309 1.219 20 30 CDEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCCOCC2)c1 ZINC000059951050 356377568 /nfs/dbraw/zinc/37/75/68/356377568.db2.gz KDAXKWYNUSEZKF-UHFFFAOYSA-N 1 2 259.309 1.219 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000530779350 356762513 /nfs/dbraw/zinc/76/25/13/356762513.db2.gz GRPYXQMPRZNNEB-GFCCVEGCSA-N 1 2 273.336 1.196 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NCc1ccccc1 ZINC000299418337 357055625 /nfs/dbraw/zinc/05/56/25/357055625.db2.gz WPUUWXUCFJUZSX-AWEZNQCLSA-N 1 2 254.333 1.260 20 30 CDEDLO N#Cc1ccncc1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000341431631 357269733 /nfs/dbraw/zinc/26/97/33/357269733.db2.gz KSOXEQKMZQXGIQ-UHFFFAOYSA-N 1 2 291.314 1.573 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)ccc1F ZINC000185193682 357520579 /nfs/dbraw/zinc/52/05/79/357520579.db2.gz VHNJGQDSYQHMLH-OAHLLOKOSA-N 1 2 276.311 1.689 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCO[C@]3(CCOC3)C2)ccc1F ZINC000185193682 357520584 /nfs/dbraw/zinc/52/05/84/357520584.db2.gz VHNJGQDSYQHMLH-OAHLLOKOSA-N 1 2 276.311 1.689 20 30 CDEDLO CCc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191307762 358125787 /nfs/dbraw/zinc/12/57/87/358125787.db2.gz GYPASUCBBHTPBQ-ZDUSSCGKSA-N 1 2 284.367 1.675 20 30 CDEDLO C[C@H](CS(C)(=O)=O)[N@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191361306 358128339 /nfs/dbraw/zinc/12/83/39/358128339.db2.gz KCXSXDZOLSGWAL-LLVKDONJSA-N 1 2 295.408 1.294 20 30 CDEDLO C[C@H](CS(C)(=O)=O)[N@@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191361306 358128343 /nfs/dbraw/zinc/12/83/43/358128343.db2.gz KCXSXDZOLSGWAL-LLVKDONJSA-N 1 2 295.408 1.294 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000337990528 358657461 /nfs/dbraw/zinc/65/74/61/358657461.db2.gz GVMKCVKGRHEDNP-LSDHHAIUSA-N 1 2 285.347 1.022 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000337990528 358657462 /nfs/dbraw/zinc/65/74/62/358657462.db2.gz GVMKCVKGRHEDNP-LSDHHAIUSA-N 1 2 285.347 1.022 20 30 CDEDLO C[C@H](C#N)CNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000596553496 358663926 /nfs/dbraw/zinc/66/39/26/358663926.db2.gz YQMQWARHFRZNIZ-GFCCVEGCSA-N 1 2 287.367 1.641 20 30 CDEDLO CC[N@H+](CCOc1ccccc1C#N)CC(=O)OC ZINC000299342557 358740261 /nfs/dbraw/zinc/74/02/61/358740261.db2.gz OSQPRSUSGFYDOG-UHFFFAOYSA-N 1 2 262.309 1.432 20 30 CDEDLO CC[N@@H+](CCOc1ccccc1C#N)CC(=O)OC ZINC000299342557 358740265 /nfs/dbraw/zinc/74/02/65/358740265.db2.gz OSQPRSUSGFYDOG-UHFFFAOYSA-N 1 2 262.309 1.432 20 30 CDEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000159411838 359083460 /nfs/dbraw/zinc/08/34/60/359083460.db2.gz KSVVJTAIGSDZHZ-CQSZACIVSA-N 1 2 280.331 1.634 20 30 CDEDLO N#Cc1ccnc(NCC2([NH+]3CCOCC3)CC2)c1 ZINC000287698349 359111122 /nfs/dbraw/zinc/11/11/22/359111122.db2.gz KEJPEUJYXFRDDJ-UHFFFAOYSA-N 1 2 258.325 1.230 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)CCc1ccc(C#N)cc1 ZINC000355260651 359256150 /nfs/dbraw/zinc/25/61/50/359256150.db2.gz YGZNEWNMKGLBEQ-UHFFFAOYSA-N 1 2 268.320 1.541 20 30 CDEDLO C#CC[NH+]1CCN(c2cc(C)nc(-c3ccccn3)n2)CC1 ZINC000264549171 359311738 /nfs/dbraw/zinc/31/17/38/359311738.db2.gz HULGQGLDXDXNPJ-UHFFFAOYSA-N 1 2 293.374 1.602 20 30 CDEDLO C#C[C@H](C)NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000274808818 359522171 /nfs/dbraw/zinc/52/21/71/359522171.db2.gz OKMLCKNWAFAOTJ-ZDUSSCGKSA-N 1 2 286.379 1.893 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cnn(CC)c2)n1 ZINC000279369069 359585080 /nfs/dbraw/zinc/58/50/80/359585080.db2.gz INGXXNCPCWUOSN-UHFFFAOYSA-N 1 2 271.368 1.755 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2cnn(CC)c2)n1 ZINC000279369069 359585083 /nfs/dbraw/zinc/58/50/83/359585083.db2.gz INGXXNCPCWUOSN-UHFFFAOYSA-N 1 2 271.368 1.755 20 30 CDEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(C#N)s2)CC[N@H+]1C ZINC000408402451 359733547 /nfs/dbraw/zinc/73/35/47/359733547.db2.gz IHCGJIRKVKNLQI-ZJUUUORDSA-N 1 2 299.421 1.333 20 30 CDEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(C#N)s2)CC[N@@H+]1C ZINC000408402451 359733551 /nfs/dbraw/zinc/73/35/51/359733551.db2.gz IHCGJIRKVKNLQI-ZJUUUORDSA-N 1 2 299.421 1.333 20 30 CDEDLO C=CCCn1cc(CNc2[nH+]cnc3c2cnn3C)nn1 ZINC000631313944 359777371 /nfs/dbraw/zinc/77/73/71/359777371.db2.gz SQRWWAMKXZFOFQ-UHFFFAOYSA-N 1 2 284.327 1.143 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000336802533 359845308 /nfs/dbraw/zinc/84/53/08/359845308.db2.gz UYWOEIRNYAJQHW-NXEZZACHSA-N 1 2 277.290 1.774 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000336802533 359845312 /nfs/dbraw/zinc/84/53/12/359845312.db2.gz UYWOEIRNYAJQHW-NXEZZACHSA-N 1 2 277.290 1.774 20 30 CDEDLO N#CCC[N@H+](CCN1CCOCC1)[C@@H]1C=CCCC1 ZINC000081515457 359857898 /nfs/dbraw/zinc/85/78/98/359857898.db2.gz KWQIWZNPPMHCIH-OAHLLOKOSA-N 1 2 263.385 1.643 20 30 CDEDLO N#CCC[N@@H+](CCN1CCOCC1)[C@@H]1C=CCCC1 ZINC000081515457 359857903 /nfs/dbraw/zinc/85/79/03/359857903.db2.gz KWQIWZNPPMHCIH-OAHLLOKOSA-N 1 2 263.385 1.643 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)[C@@H]1C=CCCC1 ZINC000081515457 359857908 /nfs/dbraw/zinc/85/79/08/359857908.db2.gz KWQIWZNPPMHCIH-OAHLLOKOSA-N 1 2 263.385 1.643 20 30 CDEDLO N#C[C@H]1COCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000081739491 359885121 /nfs/dbraw/zinc/88/51/21/359885121.db2.gz INLUHLHOBSSOIV-AWEZNQCLSA-N 1 2 282.303 1.237 20 30 CDEDLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000235262183 359950301 /nfs/dbraw/zinc/95/03/01/359950301.db2.gz QSFVKWALFKPEBR-GFCCVEGCSA-N 1 2 293.392 1.024 20 30 CDEDLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000235262183 359950303 /nfs/dbraw/zinc/95/03/03/359950303.db2.gz QSFVKWALFKPEBR-GFCCVEGCSA-N 1 2 293.392 1.024 20 30 CDEDLO C=CCN(C(=O)[C@H]1COCC[N@H+]1CC)C(C)(C)C ZINC000637408835 359970785 /nfs/dbraw/zinc/97/07/85/359970785.db2.gz XCRPABFXEVVXMZ-GFCCVEGCSA-N 1 2 254.374 1.520 20 30 CDEDLO C=CCN(C(=O)[C@H]1COCC[N@@H+]1CC)C(C)(C)C ZINC000637408835 359970788 /nfs/dbraw/zinc/97/07/88/359970788.db2.gz XCRPABFXEVVXMZ-GFCCVEGCSA-N 1 2 254.374 1.520 20 30 CDEDLO CC[C@@H](C)[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC(=O)OC ZINC000337221653 360035454 /nfs/dbraw/zinc/03/54/54/360035454.db2.gz CKRXIBRYZTYFHU-DOMZBBRYSA-N 1 2 297.399 1.314 20 30 CDEDLO CC[C@@H](C)[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC(=O)OC ZINC000337221653 360035459 /nfs/dbraw/zinc/03/54/59/360035459.db2.gz CKRXIBRYZTYFHU-DOMZBBRYSA-N 1 2 297.399 1.314 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCN1CCCC(C)(C)[C@@H]1C#N ZINC000337208215 360039994 /nfs/dbraw/zinc/03/99/94/360039994.db2.gz QCNIYTWJLNSLCW-KBPBESRZSA-N 1 2 265.401 1.721 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCN1CCCC(C)(C)[C@@H]1C#N ZINC000337208215 360039996 /nfs/dbraw/zinc/03/99/96/360039996.db2.gz QCNIYTWJLNSLCW-KBPBESRZSA-N 1 2 265.401 1.721 20 30 CDEDLO CN(C)C(=O)C[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000176988769 189019092 /nfs/dbraw/zinc/01/90/92/189019092.db2.gz LRGIRNKOERDMMO-UHFFFAOYSA-N 1 2 264.756 1.712 20 30 CDEDLO CN(C)C(=O)C[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000176988769 189019093 /nfs/dbraw/zinc/01/90/93/189019093.db2.gz LRGIRNKOERDMMO-UHFFFAOYSA-N 1 2 264.756 1.712 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335490981 360261723 /nfs/dbraw/zinc/26/17/23/360261723.db2.gz HWUUKFPRCLCAJI-LLVKDONJSA-N 1 2 260.341 1.454 20 30 CDEDLO C[C@@]1(O)CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000177210005 189036609 /nfs/dbraw/zinc/03/66/09/189036609.db2.gz VEHGEEZEFCULEH-BXUZGUMPSA-N 1 2 291.376 1.182 20 30 CDEDLO C[C@@]1(O)CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000177210005 189036610 /nfs/dbraw/zinc/03/66/10/189036610.db2.gz VEHGEEZEFCULEH-BXUZGUMPSA-N 1 2 291.376 1.182 20 30 CDEDLO COc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc1C ZINC000515542047 360512887 /nfs/dbraw/zinc/51/28/87/360512887.db2.gz SHYWJFWBZVUGFI-HNNXBMFYSA-N 1 2 275.352 1.577 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)[C@H](C#N)CCc1ccccc1 ZINC000426483537 360675491 /nfs/dbraw/zinc/67/54/91/360675491.db2.gz PJFXHZXCRREGJV-AWEZNQCLSA-N 1 2 282.347 1.809 20 30 CDEDLO C=C(C)COCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000563216500 360765078 /nfs/dbraw/zinc/76/50/78/360765078.db2.gz HIQCOBCFPKXGSW-GFCCVEGCSA-N 1 2 251.330 1.543 20 30 CDEDLO N#Cc1cnc(NC[C@@H]2C[NH+]3CCN2CC3)c(Cl)c1 ZINC000179075708 189167026 /nfs/dbraw/zinc/16/70/26/189167026.db2.gz IULWBXDDRCBFLN-LLVKDONJSA-N 1 2 277.759 1.018 20 30 CDEDLO C=CCCNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000665940787 482850951 /nfs/dbraw/zinc/85/09/51/482850951.db2.gz MGIXBUKILSDAHH-NSHDSACASA-N 1 2 280.372 1.355 20 30 CDEDLO CN(C)c1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(F)c1 ZINC000563220476 360881183 /nfs/dbraw/zinc/88/11/83/360881183.db2.gz OUCRKAMHJCWHJM-HNNXBMFYSA-N 1 2 292.358 1.465 20 30 CDEDLO N#CCCN(CCC#N)C(=O)C[NH+]1Cc2ccccc2C1 ZINC000130296951 360939105 /nfs/dbraw/zinc/93/91/05/360939105.db2.gz AJWNPGGDNZKDNI-UHFFFAOYSA-N 1 2 282.347 1.658 20 30 CDEDLO C=CC[N@@H+](CCC(=O)OC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000157966411 361034806 /nfs/dbraw/zinc/03/48/06/361034806.db2.gz DNZOAFORISVZJY-GFCCVEGCSA-N 1 2 289.397 1.003 20 30 CDEDLO C=CC[N@H+](CCC(=O)OC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000157966411 361034810 /nfs/dbraw/zinc/03/48/10/361034810.db2.gz DNZOAFORISVZJY-GFCCVEGCSA-N 1 2 289.397 1.003 20 30 CDEDLO C[C@@]1(C(=O)NCC2([NH+]3CCOCC3)CC2)CCCO1 ZINC000329915497 361056399 /nfs/dbraw/zinc/05/63/99/361056399.db2.gz PQKLQHGBEVDMFV-ZDUSSCGKSA-N 1 2 268.357 1.377 20 30 CDEDLO C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C#N)C[C@@H](C)O1 ZINC000433319398 361233300 /nfs/dbraw/zinc/23/33/00/361233300.db2.gz OHYAHALOGHEKOT-VXGBXAGGSA-N 1 2 267.373 1.104 20 30 CDEDLO C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C#N)C[C@@H](C)O1 ZINC000433319398 361233304 /nfs/dbraw/zinc/23/33/04/361233304.db2.gz OHYAHALOGHEKOT-VXGBXAGGSA-N 1 2 267.373 1.104 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1cnc(C)s1 ZINC000053153878 361270174 /nfs/dbraw/zinc/27/01/74/361270174.db2.gz LKVLTNIFRYCLBK-VIFPVBQESA-N 1 2 251.355 1.021 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1cnc(C)s1 ZINC000053153878 361270179 /nfs/dbraw/zinc/27/01/79/361270179.db2.gz LKVLTNIFRYCLBK-VIFPVBQESA-N 1 2 251.355 1.021 20 30 CDEDLO Cc1cc(C)cc(OC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000435533801 361411010 /nfs/dbraw/zinc/41/10/10/361411010.db2.gz KRGKBKWOLZZVCI-AWEZNQCLSA-N 1 2 262.353 1.889 20 30 CDEDLO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000435533801 361411020 /nfs/dbraw/zinc/41/10/20/361411020.db2.gz KRGKBKWOLZZVCI-AWEZNQCLSA-N 1 2 262.353 1.889 20 30 CDEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCC[C@@H]1CCCCO1 ZINC000329316283 361476102 /nfs/dbraw/zinc/47/61/02/361476102.db2.gz HLWDMCOSQHNIBN-QWHCGFSZSA-N 1 2 270.373 1.623 20 30 CDEDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCC[C@@H]1CCCCO1 ZINC000329316283 361476105 /nfs/dbraw/zinc/47/61/05/361476105.db2.gz HLWDMCOSQHNIBN-QWHCGFSZSA-N 1 2 270.373 1.623 20 30 CDEDLO Cc1ocnc1CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329381974 361495255 /nfs/dbraw/zinc/49/52/55/361495255.db2.gz NZLYJBBQNISYKS-UHFFFAOYSA-N 1 2 289.339 2.000 20 30 CDEDLO Cc1ocnc1CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329381974 361495259 /nfs/dbraw/zinc/49/52/59/361495259.db2.gz NZLYJBBQNISYKS-UHFFFAOYSA-N 1 2 289.339 2.000 20 30 CDEDLO CC(C)CC[N@H+](CCC#N)CCN1CCCS1(=O)=O ZINC000437576188 361679440 /nfs/dbraw/zinc/67/94/40/361679440.db2.gz HMEUAJILKAPQKS-UHFFFAOYSA-N 1 2 287.429 1.284 20 30 CDEDLO CC(C)CC[N@@H+](CCC#N)CCN1CCCS1(=O)=O ZINC000437576188 361679446 /nfs/dbraw/zinc/67/94/46/361679446.db2.gz HMEUAJILKAPQKS-UHFFFAOYSA-N 1 2 287.429 1.284 20 30 CDEDLO CCOC(=O)Cn1nc(C)c(C[N@H+](CC)CCC#N)c1C ZINC000437583255 361680619 /nfs/dbraw/zinc/68/06/19/361680619.db2.gz OLYHYWNEJYIIOI-UHFFFAOYSA-N 1 2 292.383 1.799 20 30 CDEDLO CCOC(=O)Cn1nc(C)c(C[N@@H+](CC)CCC#N)c1C ZINC000437583255 361680622 /nfs/dbraw/zinc/68/06/22/361680622.db2.gz OLYHYWNEJYIIOI-UHFFFAOYSA-N 1 2 292.383 1.799 20 30 CDEDLO C=CC1CC[NH+](Cc2noc(CCOC)n2)CC1 ZINC000351472340 361690809 /nfs/dbraw/zinc/69/08/09/361690809.db2.gz AUYHIQIYGDBMML-UHFFFAOYSA-N 1 2 251.330 1.657 20 30 CDEDLO N#Cc1nccc(N2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000581022468 363963429 /nfs/dbraw/zinc/96/34/29/363963429.db2.gz WCFOGAPISHIAJZ-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1ncc(C#N)cn1 ZINC000582410419 364087906 /nfs/dbraw/zinc/08/79/06/364087906.db2.gz DWMUJJJFDMOXGV-UHFFFAOYSA-N 1 2 296.330 1.751 20 30 CDEDLO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1ncc(C#N)cn1 ZINC000582410419 364087910 /nfs/dbraw/zinc/08/79/10/364087910.db2.gz DWMUJJJFDMOXGV-UHFFFAOYSA-N 1 2 296.330 1.751 20 30 CDEDLO C=C(C)CN(C)C(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000357227942 366845166 /nfs/dbraw/zinc/84/51/66/366845166.db2.gz HKWAGTLWPCGGRS-UHFFFAOYSA-N 1 2 292.383 1.190 20 30 CDEDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1CC1(C#N)CC1 ZINC000496764178 366851999 /nfs/dbraw/zinc/85/19/99/366851999.db2.gz QWSRZRMGKLYVKX-GFCCVEGCSA-N 1 2 265.357 1.891 20 30 CDEDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1CC1(C#N)CC1 ZINC000496764178 366852005 /nfs/dbraw/zinc/85/20/05/366852005.db2.gz QWSRZRMGKLYVKX-GFCCVEGCSA-N 1 2 265.357 1.891 20 30 CDEDLO C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1nnc[nH]1 ZINC000174808251 364571175 /nfs/dbraw/zinc/57/11/75/364571175.db2.gz FHCBPOBDLXJBQI-UHFFFAOYSA-N 1 2 284.323 1.137 20 30 CDEDLO C[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1nnc[nH]1 ZINC000174808251 364571179 /nfs/dbraw/zinc/57/11/79/364571179.db2.gz FHCBPOBDLXJBQI-UHFFFAOYSA-N 1 2 284.323 1.137 20 30 CDEDLO C=CCNC(=O)C[N@H+]1C[C@H](CC)N(C(C)=O)C[C@H]1CC ZINC000472354229 365069785 /nfs/dbraw/zinc/06/97/85/365069785.db2.gz SVFFBBUZYJDETN-KGLIPLIRSA-N 1 2 281.400 1.010 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1C[C@H](CC)N(C(C)=O)C[C@H]1CC ZINC000472354229 365069793 /nfs/dbraw/zinc/06/97/93/365069793.db2.gz SVFFBBUZYJDETN-KGLIPLIRSA-N 1 2 281.400 1.010 20 30 CDEDLO COC(CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC000275606396 193085709 /nfs/dbraw/zinc/08/57/09/193085709.db2.gz MKSGTAXKEMPSBA-UHFFFAOYSA-N 1 2 289.379 1.295 20 30 CDEDLO N#Cc1ccnc(NCCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000213013108 366885866 /nfs/dbraw/zinc/88/58/66/366885866.db2.gz PPUYNLNESVEVBR-UHFFFAOYSA-N 1 2 286.295 1.950 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCCCn1cc[nH+]c1 ZINC000275650247 193094809 /nfs/dbraw/zinc/09/48/09/193094809.db2.gz BWSMXCFSOCAXSM-AWEZNQCLSA-N 1 2 265.357 1.618 20 30 CDEDLO COCCCn1nccc1C[N@H+](C)CC(C)(C)C#N ZINC000354043384 365402089 /nfs/dbraw/zinc/40/20/89/365402089.db2.gz XMWLSBWNJKLLSC-UHFFFAOYSA-N 1 2 264.373 1.901 20 30 CDEDLO COCCCn1nccc1C[N@@H+](C)CC(C)(C)C#N ZINC000354043384 365402094 /nfs/dbraw/zinc/40/20/94/365402094.db2.gz XMWLSBWNJKLLSC-UHFFFAOYSA-N 1 2 264.373 1.901 20 30 CDEDLO C[C@@H](C(=O)N[C@]1(C#N)CCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000358446605 367688409 /nfs/dbraw/zinc/68/84/09/367688409.db2.gz UPJJWJQVNKZIQO-GUYCJALGSA-N 1 2 299.374 1.232 20 30 CDEDLO C[C@@H](C(=O)N[C@]1(C#N)CCOC1)[N@H+]1CCc2ccccc2C1 ZINC000358446605 367688416 /nfs/dbraw/zinc/68/84/16/367688416.db2.gz UPJJWJQVNKZIQO-GUYCJALGSA-N 1 2 299.374 1.232 20 30 CDEDLO COCC#CC[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528738415 367963963 /nfs/dbraw/zinc/96/39/63/367963963.db2.gz FXVQNPAPLAEIJH-UHFFFAOYSA-N 1 2 257.337 1.362 20 30 CDEDLO COCC#CC[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528738415 367963971 /nfs/dbraw/zinc/96/39/71/367963971.db2.gz FXVQNPAPLAEIJH-UHFFFAOYSA-N 1 2 257.337 1.362 20 30 CDEDLO C[NH+]1CCC(C#N)(NC(=O)[C@H]2CC(=O)c3ccccc32)CC1 ZINC000530397936 368185351 /nfs/dbraw/zinc/18/53/51/368185351.db2.gz YZPRFBHGVHHQEV-AWEZNQCLSA-N 1 2 297.358 1.461 20 30 CDEDLO C[C@@H](C#N)CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000541945554 368708360 /nfs/dbraw/zinc/70/83/60/368708360.db2.gz SEVYUQFVSIPHNF-NSHDSACASA-N 1 2 275.356 1.221 20 30 CDEDLO CC(C)c1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)n(C)n1 ZINC000567506701 371014365 /nfs/dbraw/zinc/01/43/65/371014365.db2.gz ZTIBEYYESGXNKL-CQSZACIVSA-N 1 2 277.372 1.117 20 30 CDEDLO CC#CC[N@H+](CC(=O)OC(C)(C)C)C1CCOCC1 ZINC000567995759 371194339 /nfs/dbraw/zinc/19/43/39/371194339.db2.gz UVBHBNXQQFSFDY-UHFFFAOYSA-N 1 2 267.369 1.832 20 30 CDEDLO CC#CC[N@@H+](CC(=O)OC(C)(C)C)C1CCOCC1 ZINC000567995759 371194342 /nfs/dbraw/zinc/19/43/42/371194342.db2.gz UVBHBNXQQFSFDY-UHFFFAOYSA-N 1 2 267.369 1.832 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000568619757 371227627 /nfs/dbraw/zinc/22/76/27/371227627.db2.gz GRLYHJATNFFLAZ-LOWVWBTDSA-N 1 2 275.352 1.537 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000568619757 371227632 /nfs/dbraw/zinc/22/76/32/371227632.db2.gz GRLYHJATNFFLAZ-LOWVWBTDSA-N 1 2 275.352 1.537 20 30 CDEDLO CC1(C)C[C@@]1(C#N)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000333004275 371224119 /nfs/dbraw/zinc/22/41/19/371224119.db2.gz JOUKSCBYWKHFIL-HZMBPMFUSA-N 1 2 258.325 1.254 20 30 CDEDLO C=C(C)CS(=O)(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000295957079 371535784 /nfs/dbraw/zinc/53/57/84/371535784.db2.gz JQPKLKXAFWEEMY-SNVBAGLBSA-N 1 2 257.359 1.602 20 30 CDEDLO CC/C=C\CCN(CCC#N)CC[NH+]1CCOCC1 ZINC000342213504 371967093 /nfs/dbraw/zinc/96/70/93/371967093.db2.gz YQQPYYILVNZTPG-ARJAWSKDSA-N 1 2 265.401 1.891 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1c1nc([C@H]2C[N@@H+](C)CCN2C)no1 ZINC000351348745 372397022 /nfs/dbraw/zinc/39/70/22/372397022.db2.gz NEAWXLHSWUIBPX-UPJWGTAASA-N 1 2 292.383 1.437 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1c1nc([C@H]2C[N@H+](C)CCN2C)no1 ZINC000351348745 372397027 /nfs/dbraw/zinc/39/70/27/372397027.db2.gz NEAWXLHSWUIBPX-UPJWGTAASA-N 1 2 292.383 1.437 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)NC[C@H](C)C#N ZINC000182374964 372600986 /nfs/dbraw/zinc/60/09/86/372600986.db2.gz FZCNCEHILFVJKI-LLVKDONJSA-N 1 2 285.351 1.804 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H]1CC=C(C)CC1)C(=O)OC ZINC000578747545 372545054 /nfs/dbraw/zinc/54/50/54/372545054.db2.gz FNERDLAIBFZJCA-STQMWFEESA-N 1 2 253.342 1.819 20 30 CDEDLO CCOC(=O)[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)[C@@H](C)CC ZINC000191543913 373517917 /nfs/dbraw/zinc/51/79/17/373517917.db2.gz VSNNOAAAILVRAV-FZMZJTMJSA-N 1 2 277.368 1.964 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000035775877 373840934 /nfs/dbraw/zinc/84/09/34/373840934.db2.gz RTOBFXCLMNFQIN-OCCSQVGLSA-N 1 2 276.336 1.019 20 30 CDEDLO C[C@@H]1COCC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000035775877 373840940 /nfs/dbraw/zinc/84/09/40/373840940.db2.gz RTOBFXCLMNFQIN-OCCSQVGLSA-N 1 2 276.336 1.019 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNc2cccnc2C#N)CCO1 ZINC000357685535 373928887 /nfs/dbraw/zinc/92/88/87/373928887.db2.gz BNHPTNBWNFNIBH-GFCCVEGCSA-N 1 2 260.341 1.476 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNc2cccnc2C#N)CCO1 ZINC000357685535 373928893 /nfs/dbraw/zinc/92/88/93/373928893.db2.gz BNHPTNBWNFNIBH-GFCCVEGCSA-N 1 2 260.341 1.476 20 30 CDEDLO CC[N@H+](Cc1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000057597213 373985793 /nfs/dbraw/zinc/98/57/93/373985793.db2.gz NZYYLBYPJASGJZ-AWEZNQCLSA-N 1 2 278.377 1.567 20 30 CDEDLO CC[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000057597213 373985798 /nfs/dbraw/zinc/98/57/98/373985798.db2.gz NZYYLBYPJASGJZ-AWEZNQCLSA-N 1 2 278.377 1.567 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H]1O ZINC000351812241 374280464 /nfs/dbraw/zinc/28/04/64/374280464.db2.gz PMKMAVPQKWIJOI-RNCFNFMXSA-N 1 2 293.754 1.463 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H]1O ZINC000351812241 374280469 /nfs/dbraw/zinc/28/04/69/374280469.db2.gz PMKMAVPQKWIJOI-RNCFNFMXSA-N 1 2 293.754 1.463 20 30 CDEDLO Cc1sc(NC(=O)C[N@H+]2C[C@H](C)[C@H](O)C2)c(C#N)c1C ZINC000351786891 374284342 /nfs/dbraw/zinc/28/43/42/374284342.db2.gz YKEPBILGYKNQJF-QPUJVOFHSA-N 1 2 293.392 1.488 20 30 CDEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@H](C)[C@H](O)C2)c(C#N)c1C ZINC000351786891 374284352 /nfs/dbraw/zinc/28/43/52/374284352.db2.gz YKEPBILGYKNQJF-QPUJVOFHSA-N 1 2 293.392 1.488 20 30 CDEDLO Cc1cc(NC(=O)C[N@@H+](C)Cc2ccc(CC#N)cc2)no1 ZINC000342691297 374396289 /nfs/dbraw/zinc/39/62/89/374396289.db2.gz CJYRYZQWHCOMCH-UHFFFAOYSA-N 1 2 298.346 1.542 20 30 CDEDLO Cc1cc(NC(=O)C[N@H+](C)Cc2ccc(CC#N)cc2)no1 ZINC000342691297 374396295 /nfs/dbraw/zinc/39/62/95/374396295.db2.gz CJYRYZQWHCOMCH-UHFFFAOYSA-N 1 2 298.346 1.542 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nccc(N)n1 ZINC000425539765 374444402 /nfs/dbraw/zinc/44/44/02/374444402.db2.gz UMXRUXCOZLRENB-LLVKDONJSA-N 1 2 267.336 1.954 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nccc(N)n1 ZINC000425539765 374444407 /nfs/dbraw/zinc/44/44/07/374444407.db2.gz UMXRUXCOZLRENB-LLVKDONJSA-N 1 2 267.336 1.954 20 30 CDEDLO Cn1c[nH+]c2c1CCN(Cc1cc(C#N)n(C)c1)C2 ZINC000377014702 374579665 /nfs/dbraw/zinc/57/96/65/374579665.db2.gz OBOQOWKXQDHEQJ-UHFFFAOYSA-N 1 2 255.325 1.189 20 30 CDEDLO N#Cc1cccnc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000069843004 374621734 /nfs/dbraw/zinc/62/17/34/374621734.db2.gz MKVJHPGGYPQNNY-UHFFFAOYSA-N 1 2 298.350 1.226 20 30 CDEDLO C#CCOCCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000125351272 374925816 /nfs/dbraw/zinc/92/58/16/374925816.db2.gz QDMOUTYFKPONAS-UHFFFAOYSA-N 1 2 261.325 1.087 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000282210146 375070743 /nfs/dbraw/zinc/07/07/43/375070743.db2.gz OIGXBIAMYVMOPO-FZMZJTMJSA-N 1 2 278.377 1.738 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000282210146 375070748 /nfs/dbraw/zinc/07/07/48/375070748.db2.gz OIGXBIAMYVMOPO-FZMZJTMJSA-N 1 2 278.377 1.738 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CC=CCC2)s1 ZINC000392858773 375083863 /nfs/dbraw/zinc/08/38/63/375083863.db2.gz MZZMOXLIYVNVMT-UHFFFAOYSA-N 1 2 297.405 1.160 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)s1 ZINC000392858773 375083870 /nfs/dbraw/zinc/08/38/70/375083870.db2.gz MZZMOXLIYVNVMT-UHFFFAOYSA-N 1 2 297.405 1.160 20 30 CDEDLO COc1cc(C[N@@H+]2CC(=O)NCC2(C)C)ccc1C#N ZINC000282896323 375105392 /nfs/dbraw/zinc/10/53/92/375105392.db2.gz ZSWNXJOALKDNCQ-UHFFFAOYSA-N 1 2 273.336 1.277 20 30 CDEDLO COc1cc(C[N@H+]2CC(=O)NCC2(C)C)ccc1C#N ZINC000282896323 375105395 /nfs/dbraw/zinc/10/53/95/375105395.db2.gz ZSWNXJOALKDNCQ-UHFFFAOYSA-N 1 2 273.336 1.277 20 30 CDEDLO CO[C@H]1C[C@@H](C(N)=O)[N@H+](Cc2cc(C#N)cs2)C1 ZINC000332708561 375044860 /nfs/dbraw/zinc/04/48/60/375044860.db2.gz OLCPAAGLXZZAFJ-ONGXEEELSA-N 1 2 265.338 1.744 20 30 CDEDLO CO[C@H]1C[C@@H](C(N)=O)[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000332708561 375044867 /nfs/dbraw/zinc/04/48/67/375044867.db2.gz OLCPAAGLXZZAFJ-ONGXEEELSA-N 1 2 265.338 1.744 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000131068357 375161265 /nfs/dbraw/zinc/16/12/65/375161265.db2.gz WNYLCFNVLJEVGO-FZMZJTMJSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000131068357 375161270 /nfs/dbraw/zinc/16/12/70/375161270.db2.gz WNYLCFNVLJEVGO-FZMZJTMJSA-N 1 2 276.336 1.148 20 30 CDEDLO CCOC(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000496178464 375720093 /nfs/dbraw/zinc/72/00/93/375720093.db2.gz 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/nfs/dbraw/zinc/31/15/39/391311539.db2.gz OZFSACYUJYGIIA-ZDUSSCGKSA-N 1 2 286.379 1.532 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000346231843 391340559 /nfs/dbraw/zinc/34/05/59/391340559.db2.gz UNNRFONONSHTEO-UONOGXRCSA-N 1 2 277.368 1.713 20 30 CDEDLO CC(C)[C@H](C#N)NC(=O)[C@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000346402439 391351341 /nfs/dbraw/zinc/35/13/41/391351341.db2.gz OKQBOMJLEPSNHF-RDBSUJKOSA-N 1 2 286.379 1.818 20 30 CDEDLO C=C(C)CNC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000354438631 391419305 /nfs/dbraw/zinc/41/93/05/391419305.db2.gz IUCWURRTPQTBJG-LBPRGKRZSA-N 1 2 277.372 1.374 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000366542143 391438385 /nfs/dbraw/zinc/43/83/85/391438385.db2.gz BJMKBVARWKWCRT-GFCCVEGCSA-N 1 2 260.337 1.572 20 30 CDEDLO C=CCNC(=O)C[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000366542143 391438389 /nfs/dbraw/zinc/43/83/89/391438389.db2.gz BJMKBVARWKWCRT-GFCCVEGCSA-N 1 2 260.337 1.572 20 30 CDEDLO Cc1cc(C)c(NC(=O)C(=O)N(C)C[C@@H](C)C#N)c(C)[nH+]1 ZINC000411381412 391440536 /nfs/dbraw/zinc/44/05/36/391440536.db2.gz CVHKCBGUQGPBIX-VIFPVBQESA-N 1 2 288.351 1.563 20 30 CDEDLO CSc1cc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)ccn1 ZINC000330626511 391462514 /nfs/dbraw/zinc/46/25/14/391462514.db2.gz VSYBUSWJNIRKMK-NSHDSACASA-N 1 2 295.408 1.829 20 30 CDEDLO CSc1cc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)ccn1 ZINC000330626511 391462516 /nfs/dbraw/zinc/46/25/16/391462516.db2.gz VSYBUSWJNIRKMK-NSHDSACASA-N 1 2 295.408 1.829 20 30 CDEDLO C=CCCCCNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353337481 391606921 /nfs/dbraw/zinc/60/69/21/391606921.db2.gz QRYOPNUDKZQZFP-UHFFFAOYSA-N 1 2 291.399 1.593 20 30 CDEDLO C=CCN1CC[C@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1=O ZINC000281888532 391663589 /nfs/dbraw/zinc/66/35/89/391663589.db2.gz ONHLQIGNXOFFQC-ZDUSSCGKSA-N 1 2 286.379 1.886 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](CC)C(=O)OCC)C1=O ZINC000282024135 391669576 /nfs/dbraw/zinc/66/95/76/391669576.db2.gz PLRBFOWANKGTDI-RYUDHWBXSA-N 1 2 268.357 1.047 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](CC)C(=O)OCC)C1=O ZINC000282024135 391669577 /nfs/dbraw/zinc/66/95/77/391669577.db2.gz PLRBFOWANKGTDI-RYUDHWBXSA-N 1 2 268.357 1.047 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCC1(CC#N)CC1 ZINC000362330264 391718734 /nfs/dbraw/zinc/71/87/34/391718734.db2.gz OSPICZXBUHZDIU-LLVKDONJSA-N 1 2 261.329 1.265 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@H]1CCC(C)(C)C1)C(=O)OC ZINC000361113252 391683850 /nfs/dbraw/zinc/68/38/50/391683850.db2.gz LHAIGJNQMGFVAN-NWDGAFQWSA-N 1 2 255.358 1.899 20 30 CDEDLO Cc1cnc([NH+]=C([O-])N[C@@H]2CCc3[nH]c[nH+]c3C2)o1 ZINC000329778651 391777399 /nfs/dbraw/zinc/77/73/99/391777399.db2.gz LIRIODROLVCIHP-MRVPVSSYSA-N 1 2 261.285 1.590 20 30 CDEDLO Cc1cnc([NH+]=C([O-])N[C@@H]2CCc3[nH+]c[nH]c3C2)o1 ZINC000329778651 391777402 /nfs/dbraw/zinc/77/74/02/391777402.db2.gz LIRIODROLVCIHP-MRVPVSSYSA-N 1 2 261.285 1.590 20 30 CDEDLO C#Cc1ccc(C[N@@H+](CCS(C)(=O)=O)C2CC2)cc1 ZINC000290088253 391767224 /nfs/dbraw/zinc/76/72/24/391767224.db2.gz RDBVYEWFNVMRCN-UHFFFAOYSA-N 1 2 277.389 1.677 20 30 CDEDLO C#Cc1ccc(C[N@H+](CCS(C)(=O)=O)C2CC2)cc1 ZINC000290088253 391767229 /nfs/dbraw/zinc/76/72/29/391767229.db2.gz RDBVYEWFNVMRCN-UHFFFAOYSA-N 1 2 277.389 1.677 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000372167313 391840009 /nfs/dbraw/zinc/84/00/09/391840009.db2.gz QOXQXNILZPJSMG-HNNXBMFYSA-N 1 2 298.427 1.537 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000372167313 391840011 /nfs/dbraw/zinc/84/00/11/391840011.db2.gz QOXQXNILZPJSMG-HNNXBMFYSA-N 1 2 298.427 1.537 20 30 CDEDLO N#Cc1csc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)c1 ZINC000245567664 391993146 /nfs/dbraw/zinc/99/31/46/391993146.db2.gz UQMZLLLCJLDHNF-CHWSQXEVSA-N 1 2 275.377 1.863 20 30 CDEDLO N#Cc1csc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)c1 ZINC000245567664 391993150 /nfs/dbraw/zinc/99/31/50/391993150.db2.gz UQMZLLLCJLDHNF-CHWSQXEVSA-N 1 2 275.377 1.863 20 30 CDEDLO N#CCNC(=O)C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000343029865 392080027 /nfs/dbraw/zinc/08/00/27/392080027.db2.gz CGXJVJZHAMEPBW-UHFFFAOYSA-N 1 2 289.360 1.983 20 30 CDEDLO N#CCNC(=O)C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000343029865 392080031 /nfs/dbraw/zinc/08/00/31/392080031.db2.gz CGXJVJZHAMEPBW-UHFFFAOYSA-N 1 2 289.360 1.983 20 30 CDEDLO CCn1nncc1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000459538039 392460360 /nfs/dbraw/zinc/46/03/60/392460360.db2.gz SBRBGOYCRPMUAM-UHFFFAOYSA-N 1 2 299.378 1.818 20 30 CDEDLO CCn1nncc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000459538039 392460368 /nfs/dbraw/zinc/46/03/68/392460368.db2.gz SBRBGOYCRPMUAM-UHFFFAOYSA-N 1 2 299.378 1.818 20 30 CDEDLO CC#CC[C@@H](CO)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000646391909 392407208 /nfs/dbraw/zinc/40/72/08/392407208.db2.gz HACMLAKICCIQLJ-LBPRGKRZSA-N 1 2 272.308 1.230 20 30 CDEDLO N#Cc1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000548639419 392500223 /nfs/dbraw/zinc/50/02/23/392500223.db2.gz NNICYDHZKPCDLC-ZDUSSCGKSA-N 1 2 266.304 1.500 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000412089600 392819580 /nfs/dbraw/zinc/81/95/80/392819580.db2.gz BRSMSIDWTGPHPU-OCCSQVGLSA-N 1 2 280.755 1.387 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000412089600 392819584 /nfs/dbraw/zinc/81/95/84/392819584.db2.gz BRSMSIDWTGPHPU-OCCSQVGLSA-N 1 2 280.755 1.387 20 30 CDEDLO Cc1cc(NCCCOCC2CCOCC2)c(C#N)c[nH+]1 ZINC000425222782 392996136 /nfs/dbraw/zinc/99/61/36/392996136.db2.gz BFKNRJCOQMIEQV-UHFFFAOYSA-N 1 2 289.379 1.929 20 30 CDEDLO Cc1cc(N(C)C[C@H](O)C(F)(F)F)c(C#N)c[nH+]1 ZINC000425247799 393003397 /nfs/dbraw/zinc/00/33/97/393003397.db2.gz PCIVFPQAQMOQOV-JTQLQIEISA-N 1 2 259.231 1.621 20 30 CDEDLO COCCO[C@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425252687 393004907 /nfs/dbraw/zinc/00/49/07/393004907.db2.gz BQDUFCUWHMCBPO-AWEZNQCLSA-N 1 2 275.352 1.894 20 30 CDEDLO Cc1cc(NCc2ccc(C)n(C)c2=O)c(C#N)c[nH+]1 ZINC000425260748 393009280 /nfs/dbraw/zinc/00/92/80/393009280.db2.gz OXCYAKQYOXPHQO-UHFFFAOYSA-N 1 2 268.320 1.303 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)c1 ZINC000494135128 393227805 /nfs/dbraw/zinc/22/78/05/393227805.db2.gz RXHXJFATRDIWHH-CQSZACIVSA-N 1 2 271.320 1.585 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCN3C(=O)OCC[C@@H]3C2)c1 ZINC000494135128 393227812 /nfs/dbraw/zinc/22/78/12/393227812.db2.gz RXHXJFATRDIWHH-CQSZACIVSA-N 1 2 271.320 1.585 20 30 CDEDLO N#Cc1cc(NC(=O)NCc2[nH]cc[nH+]2)ccc1F ZINC000120481130 139758851 /nfs/dbraw/zinc/75/88/51/139758851.db2.gz HUFPFLNYLVBGBZ-UHFFFAOYSA-N 1 2 259.244 1.742 20 30 CDEDLO N#Cc1cccc(F)c1CC(=O)N1CCn2c[nH+]cc2C1 ZINC000336022345 151202733 /nfs/dbraw/zinc/20/27/33/151202733.db2.gz WXRZQFFQMLORQE-UHFFFAOYSA-N 1 2 284.294 1.479 20 30 CDEDLO CC(C)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000157656138 289291457 /nfs/dbraw/zinc/29/14/57/289291457.db2.gz JNCNJSNOPNQLJV-UHFFFAOYSA-N 1 2 277.343 1.901 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc(C#N)cc1F ZINC000352648899 155323377 /nfs/dbraw/zinc/32/33/77/155323377.db2.gz XWVMDWKPCUCTRL-LLVKDONJSA-N 1 2 263.316 1.830 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNc1ccc(C#N)cc1F ZINC000352648899 155323380 /nfs/dbraw/zinc/32/33/80/155323380.db2.gz XWVMDWKPCUCTRL-LLVKDONJSA-N 1 2 263.316 1.830 20 30 CDEDLO COc1ccc(C[NH+]2CCC(F)(C#N)CC2)nn1 ZINC000352466199 286304469 /nfs/dbraw/zinc/30/44/69/286304469.db2.gz BJUCOTVAERBYTO-UHFFFAOYSA-N 1 2 250.277 1.313 20 30 CDEDLO Cn1c[nH+]cc1C[S@@](=O)Cc1ccc(C#N)cc1 ZINC000343851023 152324977 /nfs/dbraw/zinc/32/49/77/152324977.db2.gz ASQPVICZIBCTPJ-SFHVURJKSA-N 1 2 259.334 1.741 20 30 CDEDLO N#Cc1cccc(CNC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000353767541 156071558 /nfs/dbraw/zinc/07/15/58/156071558.db2.gz MKUIILBRUYIMSQ-UHFFFAOYSA-N 1 2 254.293 1.530 20 30 CDEDLO N#Cc1cccc(CNC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000353767541 156071564 /nfs/dbraw/zinc/07/15/64/156071564.db2.gz MKUIILBRUYIMSQ-UHFFFAOYSA-N 1 2 254.293 1.530 20 30 CDEDLO Cc1cccn2cc(CNC(=O)c3cnn(C)c3C#N)[nH+]c12 ZINC000355810814 157249330 /nfs/dbraw/zinc/24/93/30/157249330.db2.gz JROYPXGNJLYUMY-UHFFFAOYSA-N 1 2 294.318 1.178 20 30 CDEDLO Cn1cc(CNc2[nH]c3cc(F)ccc3[nH+]2)cc1C#N ZINC000362627273 159198265 /nfs/dbraw/zinc/19/82/65/159198265.db2.gz MWAGSCLIDVZSDF-UHFFFAOYSA-N 1 2 269.283 1.946 20 30 CDEDLO N#Cc1cccc(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000374051743 160248730 /nfs/dbraw/zinc/24/87/30/160248730.db2.gz OTFYUYXDMGQOQH-HNNXBMFYSA-N 1 2 294.358 1.676 20 30 CDEDLO C=CCCn1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)nn1 ZINC000655402015 412177880 /nfs/dbraw/zinc/17/78/80/412177880.db2.gz XXWKVDLNIIAVKB-SECBINFHSA-N 1 2 260.301 1.068 20 30 CDEDLO C=CCCC(C)(C)NC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000658978128 413482475 /nfs/dbraw/zinc/48/24/75/413482475.db2.gz UQJJMCKLCWPAMK-UHFFFAOYSA-N 1 2 291.351 1.890 20 30 CDEDLO C=CC[N@H+](Cc1cc(=O)n2[nH]ccc2n1)[C@H](C)COC ZINC000661241789 413912030 /nfs/dbraw/zinc/91/20/30/413912030.db2.gz GYILPBZOWCXVGI-LLVKDONJSA-N 1 2 276.340 1.046 20 30 CDEDLO C=CC[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)[C@H](C)COC ZINC000661241789 413912039 /nfs/dbraw/zinc/91/20/39/413912039.db2.gz GYILPBZOWCXVGI-LLVKDONJSA-N 1 2 276.340 1.046 20 30 CDEDLO C=C[C@](C)(O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000665561179 414284522 /nfs/dbraw/zinc/28/45/22/414284522.db2.gz LKSAAISCDCNKGG-AWEZNQCLSA-N 1 2 280.393 1.329 20 30 CDEDLO C=C(C)C[N@H+](C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000071012577 176020804 /nfs/dbraw/zinc/02/08/04/176020804.db2.gz GPKZNBFZTYGNGF-CHWSQXEVSA-N 1 2 273.398 1.231 20 30 CDEDLO C=C(C)C[N@@H+](C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000071012577 176020806 /nfs/dbraw/zinc/02/08/06/176020806.db2.gz GPKZNBFZTYGNGF-CHWSQXEVSA-N 1 2 273.398 1.231 20 30 CDEDLO C[S@](=O)C[C@@H]([NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000347656762 226228166 /nfs/dbraw/zinc/22/81/66/226228166.db2.gz UGGLGVDWIGXMLN-ACJLOTCBSA-N 1 2 262.378 2.000 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CN1CCCCCC1=O ZINC000329126852 227313155 /nfs/dbraw/zinc/31/31/55/227313155.db2.gz YSHDFBRBFHNCNO-CYBMUJFWSA-N 1 2 297.399 1.066 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)CN1CCCCCC1=O ZINC000329126852 227313158 /nfs/dbraw/zinc/31/31/58/227313158.db2.gz YSHDFBRBFHNCNO-CYBMUJFWSA-N 1 2 297.399 1.066 20 30 CDEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000329968433 228001121 /nfs/dbraw/zinc/00/11/21/228001121.db2.gz WAWBMNSYRFZKOF-GIPNMCIBSA-N 1 2 295.383 1.907 20 30 CDEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000329968433 228001124 /nfs/dbraw/zinc/00/11/24/228001124.db2.gz WAWBMNSYRFZKOF-GIPNMCIBSA-N 1 2 295.383 1.907 20 30 CDEDLO CCCc1nc(CO[NH+]=C(N)Cc2csc(C)n2)no1 ZINC000067098574 260250756 /nfs/dbraw/zinc/25/07/56/260250756.db2.gz YAHGBRXSHUXGTD-UHFFFAOYSA-N 1 2 295.368 1.819 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cc(C(=O)OC)n(C)c1 ZINC000491267154 261394566 /nfs/dbraw/zinc/39/45/66/261394566.db2.gz RUFOYMNBKJQAMR-UHFFFAOYSA-N 1 2 258.321 1.270 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cc(C(=O)OC)n(C)c1 ZINC000491267154 261394568 /nfs/dbraw/zinc/39/45/68/261394568.db2.gz RUFOYMNBKJQAMR-UHFFFAOYSA-N 1 2 258.321 1.270 20 30 CDEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000279431271 263055222 /nfs/dbraw/zinc/05/52/22/263055222.db2.gz MJQICDLCOKSWPT-RISCZKNCSA-N 1 2 260.341 1.931 20 30 CDEDLO N#CCN1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000280702929 263063954 /nfs/dbraw/zinc/06/39/54/263063954.db2.gz CNJUIOSMIYGVME-CABCVRRESA-N 1 2 257.337 1.095 20 30 CDEDLO N#CCN1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000280702929 263063955 /nfs/dbraw/zinc/06/39/55/263063955.db2.gz CNJUIOSMIYGVME-CABCVRRESA-N 1 2 257.337 1.095 20 30 CDEDLO Cc1cccc(NC(=O)CO[NH+]=C(N)[C@H]2CCCO2)c1C ZINC000283764238 263084001 /nfs/dbraw/zinc/08/40/01/263084001.db2.gz BHVJKQOLJCEKFX-CYBMUJFWSA-N 1 2 291.351 1.710 20 30 CDEDLO CSC[C@@](C)(C#N)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000289987690 263113577 /nfs/dbraw/zinc/11/35/77/263113577.db2.gz SSHQNADPUAAEPC-CYBMUJFWSA-N 1 2 274.349 1.709 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000299149311 263231549 /nfs/dbraw/zinc/23/15/49/263231549.db2.gz DNBZQAFHCMQEEB-NWDGAFQWSA-N 1 2 277.343 1.922 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000299149311 263231552 /nfs/dbraw/zinc/23/15/52/263231552.db2.gz DNBZQAFHCMQEEB-NWDGAFQWSA-N 1 2 277.343 1.922 20 30 CDEDLO COCC1(C#N)CC[NH+](CC(=O)NCC(C)C)CC1 ZINC000341989639 263381098 /nfs/dbraw/zinc/38/10/98/263381098.db2.gz MGULKSVPKJKKAK-UHFFFAOYSA-N 1 2 267.373 1.011 20 30 CDEDLO CCc1onc(C)c1NC(=O)N(C)Cc1[nH+]ccn1C ZINC000330693329 264004842 /nfs/dbraw/zinc/00/48/42/264004842.db2.gz BPCDIYRXIBSHSJ-UHFFFAOYSA-N 1 2 277.328 1.956 20 30 CDEDLO CC(C)[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000330730723 264036487 /nfs/dbraw/zinc/03/64/87/264036487.db2.gz IHTZYHOMUHDINE-OLZOCXBDSA-N 1 2 267.373 1.104 20 30 CDEDLO CC(C)[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000330730723 264036488 /nfs/dbraw/zinc/03/64/88/264036488.db2.gz IHTZYHOMUHDINE-OLZOCXBDSA-N 1 2 267.373 1.104 20 30 CDEDLO N#CCC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000330874229 264059800 /nfs/dbraw/zinc/05/98/00/264059800.db2.gz IGKHJWHRYAHJEW-UHFFFAOYSA-N 1 2 259.309 1.371 20 30 CDEDLO N#CCCNC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000331147853 264138471 /nfs/dbraw/zinc/13/84/71/264138471.db2.gz MRJMZAVHMULSJH-UHFFFAOYSA-N 1 2 290.342 1.771 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000331173959 264147552 /nfs/dbraw/zinc/14/75/52/264147552.db2.gz KKUAHHRQHXPQKV-VXGBXAGGSA-N 1 2 280.372 1.317 20 30 CDEDLO CN(C)C(=O)NCC[N@H+](C)Cc1cc(C(F)(F)F)n[nH]1 ZINC000331259880 264183657 /nfs/dbraw/zinc/18/36/57/264183657.db2.gz ASRIKRVSLHPKAD-UHFFFAOYSA-N 1 2 293.293 1.336 20 30 CDEDLO CN(C)C(=O)NCC[N@@H+](C)Cc1cc(C(F)(F)F)n[nH]1 ZINC000331259880 264183660 /nfs/dbraw/zinc/18/36/60/264183660.db2.gz ASRIKRVSLHPKAD-UHFFFAOYSA-N 1 2 293.293 1.336 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331332072 264192249 /nfs/dbraw/zinc/19/22/49/264192249.db2.gz SAKHXQVJNKGETL-CJNGLKHVSA-N 1 2 295.427 1.788 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331332072 264192250 /nfs/dbraw/zinc/19/22/50/264192250.db2.gz SAKHXQVJNKGETL-CJNGLKHVSA-N 1 2 295.427 1.788 20 30 CDEDLO CC(C)(CNC(=O)N[C@@H]1CC[C@H](C#N)C1)[NH+]1CCOCC1 ZINC000425392195 264275001 /nfs/dbraw/zinc/27/50/01/264275001.db2.gz YXQCYHULGXFQJU-QWHCGFSZSA-N 1 2 294.399 1.089 20 30 CDEDLO C=CC[N@H+](CC(=O)c1cccn1C)[C@@H](C)COC ZINC000661243471 424077707 /nfs/dbraw/zinc/07/77/07/424077707.db2.gz KUGBBXLMMZGFMU-LBPRGKRZSA-N 1 2 250.342 1.731 20 30 CDEDLO C=CC[N@@H+](CC(=O)c1cccn1C)[C@@H](C)COC ZINC000661243471 424077720 /nfs/dbraw/zinc/07/77/20/424077720.db2.gz KUGBBXLMMZGFMU-LBPRGKRZSA-N 1 2 250.342 1.731 20 30 CDEDLO C=CCCn1cc(C[NH+]2CCC(CC(=O)NC)CC2)nn1 ZINC000653562683 424283311 /nfs/dbraw/zinc/28/33/11/424283311.db2.gz FIHHBNAYMSAETC-UHFFFAOYSA-N 1 2 291.399 1.202 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000520424937 267209710 /nfs/dbraw/zinc/20/97/10/267209710.db2.gz GFRPNUJWCULAQP-CQSZACIVSA-N 1 2 270.336 1.456 20 30 CDEDLO C=CCC[N@@H+]1CCNC(=O)[C@@H]1c1c(C)nc2ccccn21 ZINC000372662674 267588140 /nfs/dbraw/zinc/58/81/40/267588140.db2.gz BTSAHIJGLJOZGI-HNNXBMFYSA-N 1 2 284.363 1.692 20 30 CDEDLO C=CCC[N@H+]1CCNC(=O)[C@@H]1c1c(C)nc2ccccn21 ZINC000372662674 267588145 /nfs/dbraw/zinc/58/81/45/267588145.db2.gz BTSAHIJGLJOZGI-HNNXBMFYSA-N 1 2 284.363 1.692 20 30 CDEDLO C=CCCN1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000372662674 267588150 /nfs/dbraw/zinc/58/81/50/267588150.db2.gz BTSAHIJGLJOZGI-HNNXBMFYSA-N 1 2 284.363 1.692 20 30 CDEDLO N#Cc1cc(NCCc2[nH]c3ccccc3[nH+]2)ncn1 ZINC000526138370 268172641 /nfs/dbraw/zinc/17/26/41/268172641.db2.gz KAGFQLFGWLSJHA-UHFFFAOYSA-N 1 2 264.292 1.301 20 30 CDEDLO CC(C)(C)[N@H+](CC(N)=O)Cc1cc(F)ccc1C#N ZINC000131153758 278338851 /nfs/dbraw/zinc/33/88/51/278338851.db2.gz OTIOQWPFDXRQPH-UHFFFAOYSA-N 1 2 263.316 1.783 20 30 CDEDLO CC(C)(C)[N@@H+](CC(N)=O)Cc1cc(F)ccc1C#N ZINC000131153758 278338854 /nfs/dbraw/zinc/33/88/54/278338854.db2.gz OTIOQWPFDXRQPH-UHFFFAOYSA-N 1 2 263.316 1.783 20 30 CDEDLO Cc1cc(N2CCN3C(=O)CC[C@@H]3C2)c(C#N)c[nH+]1 ZINC000333340004 280560933 /nfs/dbraw/zinc/56/09/33/280560933.db2.gz XVXBNJRAULDWBI-GFCCVEGCSA-N 1 2 256.309 1.073 20 30 CDEDLO CC(C)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1C#N ZINC000157656138 289291454 /nfs/dbraw/zinc/29/14/54/289291454.db2.gz JNCNJSNOPNQLJV-UHFFFAOYSA-N 1 2 277.343 1.901 20 30 CDEDLO Cc1nnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)o1 ZINC000544512233 289639823 /nfs/dbraw/zinc/63/98/23/289639823.db2.gz HVXYWAPZSAGFIX-ZJUUUORDSA-N 1 2 299.334 1.928 20 30 CDEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)C(C)(C)C2CC2)c1C#N ZINC000554489260 290163554 /nfs/dbraw/zinc/16/35/54/290163554.db2.gz MCLZRRODASAPEN-UHFFFAOYSA-N 1 2 289.383 1.230 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](Nc1cc(C#N)ncn1)C1CC1 ZINC000561359447 293081603 /nfs/dbraw/zinc/08/16/03/293081603.db2.gz WTOLDHXCELRMNA-LBPRGKRZSA-N 1 2 254.297 1.645 20 30 CDEDLO Cc1cc(C[NH+]2CCN(C(=O)C3CC3)CC2)ccc1C#N ZINC000562326133 293135826 /nfs/dbraw/zinc/13/58/26/293135826.db2.gz NXCLMCGGJRFQRL-UHFFFAOYSA-N 1 2 283.375 1.921 20 30 CDEDLO Cc1nc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(C)o1 ZINC000329081603 293147991 /nfs/dbraw/zinc/14/79/91/293147991.db2.gz RTGFMVMFLSBFSR-SNVBAGLBSA-N 1 2 260.297 1.808 20 30 CDEDLO N#Cc1cccc(CC(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000564596529 293378250 /nfs/dbraw/zinc/37/82/50/293378250.db2.gz GAGHBWJAQYPGSX-UHFFFAOYSA-N 1 2 266.304 1.340 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCOCC2(CC2)C1 ZINC000329747561 295384557 /nfs/dbraw/zinc/38/45/57/295384557.db2.gz SNNRLCNOHAZGCF-LLVKDONJSA-N 1 2 290.367 1.293 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCOCC2(CC2)C1 ZINC000329747561 295384560 /nfs/dbraw/zinc/38/45/60/295384560.db2.gz SNNRLCNOHAZGCF-LLVKDONJSA-N 1 2 290.367 1.293 20 30 CDEDLO CCOCCO[NH+]=C(N)COc1ccccc1F ZINC000186868224 327854959 /nfs/dbraw/zinc/85/49/59/327854959.db2.gz DTVRPSXYZOJDTD-UHFFFAOYSA-N 1 2 256.277 1.530 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1cccc(C#N)c1 ZINC000577744576 317396494 /nfs/dbraw/zinc/39/64/94/317396494.db2.gz QCDCKSMTGOWJRA-LBPRGKRZSA-N 1 2 282.347 1.819 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCc1cccc(C#N)c1 ZINC000577744576 317396496 /nfs/dbraw/zinc/39/64/96/317396496.db2.gz QCDCKSMTGOWJRA-LBPRGKRZSA-N 1 2 282.347 1.819 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(CC)nc2)C1=O ZINC000414450065 328177206 /nfs/dbraw/zinc/17/72/06/328177206.db2.gz VWCIHIKVKOPIOR-CYBMUJFWSA-N 1 2 274.368 1.258 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(CC)nc2)C1=O ZINC000414450065 328177208 /nfs/dbraw/zinc/17/72/08/328177208.db2.gz VWCIHIKVKOPIOR-CYBMUJFWSA-N 1 2 274.368 1.258 20 30 CDEDLO Cc1oncc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000188877007 323458710 /nfs/dbraw/zinc/45/87/10/323458710.db2.gz QCTTVYSEUTXESE-UHFFFAOYSA-N 1 2 283.335 1.572 20 30 CDEDLO Cc1ccc2[nH+]c(CNc3cc(C#N)ncn3)cn2c1 ZINC000581758566 324830186 /nfs/dbraw/zinc/83/01/86/324830186.db2.gz QDJCJWBIWIUJCW-UHFFFAOYSA-N 1 2 264.292 1.338 20 30 CDEDLO C[C@@H]1C[C@@H]1CNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000329193194 533707507 /nfs/dbraw/zinc/70/75/07/533707507.db2.gz TYQZDCDRPGIRNO-TZMCWYRMSA-N 1 2 291.399 1.108 20 30 CDEDLO C=CCN(CCC#N)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000557383569 327003516 /nfs/dbraw/zinc/00/35/16/327003516.db2.gz IOFSSNLSZGSWQI-UHFFFAOYSA-N 1 2 282.307 1.204 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cn2ccccc2n1 ZINC000558494671 327098109 /nfs/dbraw/zinc/09/81/09/327098109.db2.gz JBWUYHYYPGZHNX-GFCCVEGCSA-N 1 2 253.309 1.867 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000579370106 327364402 /nfs/dbraw/zinc/36/44/02/327364402.db2.gz XYESEWUVJDPFQD-LBPRGKRZSA-N 1 2 256.309 1.779 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cccc3c2OCCO3)nn1 ZINC000562967040 327594393 /nfs/dbraw/zinc/59/43/93/327594393.db2.gz APKZOATXRSVVAN-UHFFFAOYSA-N 1 2 286.335 1.525 20 30 CDEDLO C=C(C)COCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000532401115 328776451 /nfs/dbraw/zinc/77/64/51/328776451.db2.gz ZIVUNMYEZGRHTR-UHFFFAOYSA-N 1 2 287.363 1.894 20 30 CDEDLO C#C[C@H](NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C(C)C ZINC000378075892 329038981 /nfs/dbraw/zinc/03/89/81/329038981.db2.gz RECSTVTVUXVSSU-MNOVXSKESA-N 1 2 260.341 1.224 20 30 CDEDLO C#C[C@H](NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C(C)C ZINC000378075892 329038982 /nfs/dbraw/zinc/03/89/82/329038982.db2.gz RECSTVTVUXVSSU-MNOVXSKESA-N 1 2 260.341 1.224 20 30 CDEDLO N#CCc1ccnc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000583086875 329307529 /nfs/dbraw/zinc/30/75/29/329307529.db2.gz YLRVCZBUXBIZGP-LBPRGKRZSA-N 1 2 281.319 1.545 20 30 CDEDLO C=CCOc1cccc(C[NH2+]Cc2nc(N(C)C)no2)c1 ZINC000191897194 329421957 /nfs/dbraw/zinc/42/19/57/329421957.db2.gz NKMDCUIUNZXUJN-UHFFFAOYSA-N 1 2 288.351 1.990 20 30 CDEDLO C=CCC[C@@H]1NC(=O)N(Cc2c[nH+]ccc2OC)C1=O ZINC000419939018 329750329 /nfs/dbraw/zinc/75/03/29/329750329.db2.gz IULZGEMTLAYFJG-NSHDSACASA-N 1 2 275.308 1.477 20 30 CDEDLO C=C(C)CNC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000275017017 330109021 /nfs/dbraw/zinc/10/90/21/330109021.db2.gz LJEZQECWSREZLP-UHFFFAOYSA-N 1 2 296.440 1.771 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000527191519 330231888 /nfs/dbraw/zinc/23/18/88/330231888.db2.gz FCWLKVHIRKCWAP-TZMCWYRMSA-N 1 2 254.374 1.426 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000527191519 330231889 /nfs/dbraw/zinc/23/18/89/330231889.db2.gz FCWLKVHIRKCWAP-TZMCWYRMSA-N 1 2 254.374 1.426 20 30 CDEDLO N#CCC1(CNC(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000431168096 330580770 /nfs/dbraw/zinc/58/07/70/330580770.db2.gz GYLNITDSWVQZHC-UHFFFAOYSA-N 1 2 254.293 1.758 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000456777569 331203083 /nfs/dbraw/zinc/20/30/83/331203083.db2.gz NEFWJRNYESNBFD-CQSZACIVSA-N 1 2 285.347 1.929 20 30 CDEDLO C=CCOCC(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457285808 331218154 /nfs/dbraw/zinc/21/81/54/331218154.db2.gz GTRIJQUZDIJVGK-UHFFFAOYSA-N 1 2 255.343 1.346 20 30 CDEDLO C#CCN(CC#CC)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000490679600 332103110 /nfs/dbraw/zinc/10/31/10/332103110.db2.gz TUVAQHCJJQKCOO-UHFFFAOYSA-N 1 2 294.358 1.545 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@](C(C)C)(C2CC2)C1=O ZINC000490690711 332104879 /nfs/dbraw/zinc/10/48/79/332104879.db2.gz UDVDUUXUWIFCTN-IAQYHMDHSA-N 1 2 277.368 1.254 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@](C(C)C)(C2CC2)C1=O ZINC000490690711 332104880 /nfs/dbraw/zinc/10/48/80/332104880.db2.gz UDVDUUXUWIFCTN-IAQYHMDHSA-N 1 2 277.368 1.254 20 30 CDEDLO C#CC[N@@H+](CC)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000490761538 332113367 /nfs/dbraw/zinc/11/33/67/332113367.db2.gz UORBPVQARFYSLH-AWEZNQCLSA-N 1 2 281.377 1.079 20 30 CDEDLO C#CC[N@H+](CC)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000490761538 332113368 /nfs/dbraw/zinc/11/33/68/332113368.db2.gz UORBPVQARFYSLH-AWEZNQCLSA-N 1 2 281.377 1.079 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(C)c2F)CC1 ZINC000490924858 332129988 /nfs/dbraw/zinc/12/99/88/332129988.db2.gz SFFQDQVKKIVZSR-UHFFFAOYSA-N 1 2 289.354 1.323 20 30 CDEDLO C#CCN(CC#N)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000491012815 332138600 /nfs/dbraw/zinc/13/86/00/332138600.db2.gz FVBVGNRXGIRYDR-UHFFFAOYSA-N 1 2 266.304 1.171 20 30 CDEDLO C#CC[N@@H+](CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000491118340 332151486 /nfs/dbraw/zinc/15/14/86/332151486.db2.gz CQVGWRMSTOLBBI-ZDUSSCGKSA-N 1 2 285.409 1.068 20 30 CDEDLO C#CC[N@H+](CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000491118340 332151488 /nfs/dbraw/zinc/15/14/88/332151488.db2.gz CQVGWRMSTOLBBI-ZDUSSCGKSA-N 1 2 285.409 1.068 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000491338121 332192282 /nfs/dbraw/zinc/19/22/82/332192282.db2.gz GGBLASPKRNRRQY-NUEKZKHPSA-N 1 2 259.349 1.485 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000491338121 332192283 /nfs/dbraw/zinc/19/22/83/332192283.db2.gz GGBLASPKRNRRQY-NUEKZKHPSA-N 1 2 259.349 1.485 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)CC2=CCCOC2)n1 ZINC000491505760 332225019 /nfs/dbraw/zinc/22/50/19/332225019.db2.gz MZKHXZCPCLJCEW-UHFFFAOYSA-N 1 2 289.379 1.311 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)CC2=CCCOC2)n1 ZINC000491505760 332225021 /nfs/dbraw/zinc/22/50/21/332225021.db2.gz MZKHXZCPCLJCEW-UHFFFAOYSA-N 1 2 289.379 1.311 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000491627983 332251169 /nfs/dbraw/zinc/25/11/69/332251169.db2.gz MZVUEHMBFSCREZ-LLVKDONJSA-N 1 2 285.307 1.764 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000491627983 332251170 /nfs/dbraw/zinc/25/11/70/332251170.db2.gz MZVUEHMBFSCREZ-LLVKDONJSA-N 1 2 285.307 1.764 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000491655158 332267360 /nfs/dbraw/zinc/26/73/60/332267360.db2.gz GVULYUCQRMNMHF-SECBINFHSA-N 1 2 259.309 1.660 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000491655158 332267361 /nfs/dbraw/zinc/26/73/61/332267361.db2.gz GVULYUCQRMNMHF-SECBINFHSA-N 1 2 259.309 1.660 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000491658015 332269114 /nfs/dbraw/zinc/26/91/14/332269114.db2.gz ANAXIFNZFYRYPT-LLVKDONJSA-N 1 2 255.321 1.387 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000491658015 332269115 /nfs/dbraw/zinc/26/91/15/332269115.db2.gz ANAXIFNZFYRYPT-LLVKDONJSA-N 1 2 255.321 1.387 20 30 CDEDLO C#C[C@@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000491662163 332271797 /nfs/dbraw/zinc/27/17/97/332271797.db2.gz LOSXPCLRKXRREJ-NWDGAFQWSA-N 1 2 274.368 1.545 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cccc(O)c2)n1 ZINC000491700086 332294911 /nfs/dbraw/zinc/29/49/11/332294911.db2.gz VFVZLRJAMAISDY-UHFFFAOYSA-N 1 2 299.374 1.871 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cccc(O)c2)n1 ZINC000491700086 332294912 /nfs/dbraw/zinc/29/49/12/332294912.db2.gz VFVZLRJAMAISDY-UHFFFAOYSA-N 1 2 299.374 1.871 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)NCCNc1cccc[nH+]1 ZINC000491701765 332296146 /nfs/dbraw/zinc/29/61/46/332296146.db2.gz GKCPSDIPWRDCCI-LBPRGKRZSA-N 1 2 260.341 1.595 20 30 CDEDLO C#C[C@H](CCC)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000491708371 332300791 /nfs/dbraw/zinc/30/07/91/332300791.db2.gz ULUDNALLNXBXQX-GFCCVEGCSA-N 1 2 255.321 1.795 20 30 CDEDLO C#C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000491711442 332302813 /nfs/dbraw/zinc/30/28/13/332302813.db2.gz WQPSDNCORXXYBT-RYUDHWBXSA-N 1 2 259.353 1.610 20 30 CDEDLO C#C[C@@H](NC(=O)C1CC[NH+](CC(F)F)CC1)C(C)C ZINC000491718025 332307119 /nfs/dbraw/zinc/30/71/19/332307119.db2.gz YQFWDMVJDYFVBW-GFCCVEGCSA-N 1 2 272.339 1.738 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000491736951 332316961 /nfs/dbraw/zinc/31/69/61/332316961.db2.gz DULAEWCSSSYITQ-OLZOCXBDSA-N 1 2 256.349 1.918 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000491736951 332316962 /nfs/dbraw/zinc/31/69/62/332316962.db2.gz DULAEWCSSSYITQ-OLZOCXBDSA-N 1 2 256.349 1.918 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N(C)c1ccccc1C(=O)OC ZINC000491749627 332326368 /nfs/dbraw/zinc/32/63/68/332326368.db2.gz GRIVIFOTKWSDAS-LBPRGKRZSA-N 1 2 288.347 1.390 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)N(C)c1ccccc1C(=O)OC ZINC000491749627 332326370 /nfs/dbraw/zinc/32/63/70/332326370.db2.gz GRIVIFOTKWSDAS-LBPRGKRZSA-N 1 2 288.347 1.390 20 30 CDEDLO C#CC[N@@H+](CC(=O)N[C@@H](Cc1ccccc1)C(C)=O)C1CC1 ZINC000491749822 332326549 /nfs/dbraw/zinc/32/65/49/332326549.db2.gz ZVSMZTXROVCQAO-KRWDZBQOSA-N 1 2 298.386 1.401 20 30 CDEDLO C#CC[N@H+](CC(=O)N[C@@H](Cc1ccccc1)C(C)=O)C1CC1 ZINC000491749822 332326550 /nfs/dbraw/zinc/32/65/50/332326550.db2.gz ZVSMZTXROVCQAO-KRWDZBQOSA-N 1 2 298.386 1.401 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H]2CC[C@@H](C)O2)n1 ZINC000491759655 332331158 /nfs/dbraw/zinc/33/11/58/332331158.db2.gz NUCQOLCOBHNZDP-GDBMZVCRSA-N 1 2 291.395 1.532 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H]2CC[C@@H](C)O2)n1 ZINC000491759655 332331159 /nfs/dbraw/zinc/33/11/59/332331159.db2.gz NUCQOLCOBHNZDP-GDBMZVCRSA-N 1 2 291.395 1.532 20 30 CDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H]1CCCN(C)C1=O ZINC000491764272 332333029 /nfs/dbraw/zinc/33/30/29/332333029.db2.gz CGPSPFUMUUMWLZ-HNNXBMFYSA-N 1 2 274.339 1.882 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H]1CCCN(C)C1=O ZINC000491764272 332333030 /nfs/dbraw/zinc/33/30/30/332333030.db2.gz CGPSPFUMUUMWLZ-HNNXBMFYSA-N 1 2 274.339 1.882 20 30 CDEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@](C)(C#N)C(C)C ZINC000492448793 332397813 /nfs/dbraw/zinc/39/78/13/332397813.db2.gz NSTNTEWMNZSDFM-UZYOAWRESA-N 1 2 260.341 1.971 20 30 CDEDLO Cc1ccc(/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C)o1 ZINC000492944798 332419509 /nfs/dbraw/zinc/41/95/09/332419509.db2.gz DJUYOLFNPPAIDR-WBTMPAOCSA-N 1 2 261.325 1.561 20 30 CDEDLO C=CCC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(=O)OCC ZINC000492948219 332419691 /nfs/dbraw/zinc/41/96/91/332419691.db2.gz BJOCLKPJZDKRMP-KRZKBDHCSA-N 1 2 277.324 1.437 20 30 CDEDLO COc1cccc(/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000493061529 332424862 /nfs/dbraw/zinc/42/48/62/332424862.db2.gz ZKPCILREQGCFHE-QWGSZXSUSA-N 1 2 287.363 1.668 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000575927855 335132459 /nfs/dbraw/zinc/13/24/59/335132459.db2.gz SVNSFGIALQSRNG-NEPJUHHUSA-N 1 2 251.330 1.135 20 30 CDEDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)nn1)C1(C#N)CCC1 ZINC000523257744 333313263 /nfs/dbraw/zinc/31/32/63/333313263.db2.gz INQHYEICPVUUNX-UHFFFAOYSA-N 1 2 282.307 1.181 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000076185662 334076105 /nfs/dbraw/zinc/07/61/05/334076105.db2.gz YFTSPLDJENYNDC-UHFFFAOYSA-N 1 2 290.388 1.005 20 30 CDEDLO C#CCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000079264034 334151058 /nfs/dbraw/zinc/15/10/58/334151058.db2.gz GHWCQJNRNDMJJP-UHFFFAOYSA-N 1 2 272.352 1.504 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000251883014 334371535 /nfs/dbraw/zinc/37/15/35/334371535.db2.gz PUIJTCXDKHFQRX-QLFBSQMISA-N 1 2 298.427 1.535 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000251883014 334371536 /nfs/dbraw/zinc/37/15/36/334371536.db2.gz PUIJTCXDKHFQRX-QLFBSQMISA-N 1 2 298.427 1.535 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc2ccccc2n1 ZINC000565052476 334536697 /nfs/dbraw/zinc/53/66/97/334536697.db2.gz YXZPAKJKSZNFPW-MRXNPFEDSA-N 1 2 282.347 1.808 20 30 CDEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(F)cc1F ZINC000566799024 334664745 /nfs/dbraw/zinc/66/47/45/334664745.db2.gz ATCRZZODYKZMJN-CQSZACIVSA-N 1 2 281.306 1.847 20 30 CDEDLO C=CCNC(=O)c1ccc(NC(=O)Cc2c[nH+]cn2C)cc1 ZINC000576572198 335220043 /nfs/dbraw/zinc/22/00/43/335220043.db2.gz QBGDABOEZBQWRR-UHFFFAOYSA-N 1 2 298.346 1.517 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000577293967 335336548 /nfs/dbraw/zinc/33/65/48/335336548.db2.gz LAKRJYAFMYCYPH-DYEKYZERSA-N 1 2 277.368 1.686 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000577293967 335336549 /nfs/dbraw/zinc/33/65/49/335336549.db2.gz LAKRJYAFMYCYPH-DYEKYZERSA-N 1 2 277.368 1.686 20 30 CDEDLO C[C@@H](Cc1cccc(F)c1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000578135753 335520552 /nfs/dbraw/zinc/52/05/52/335520552.db2.gz PPCVPEKOTNDKQC-BLLLJJGKSA-N 1 2 291.370 1.964 20 30 CDEDLO C[C@H](C#N)CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000182397720 335816506 /nfs/dbraw/zinc/81/65/06/335816506.db2.gz VTJYHUIJSWDTSI-LLVKDONJSA-N 1 2 271.324 1.336 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H](F)C(C)C ZINC001754970591 1159493681 /nfs/dbraw/zinc/49/36/81/1159493681.db2.gz VZDWSAGCAGBMHE-QWHCGFSZSA-N 1 2 272.364 1.374 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H](F)C(C)C ZINC001754970591 1159493683 /nfs/dbraw/zinc/49/36/83/1159493683.db2.gz VZDWSAGCAGBMHE-QWHCGFSZSA-N 1 2 272.364 1.374 20 30 CDEDLO COc1cccc(C#N)c1OC[C@@H]1C[N@H+](C)CCO1 ZINC001226250493 1160149983 /nfs/dbraw/zinc/14/99/83/1160149983.db2.gz MXHZGNNQQAQNOL-LBPRGKRZSA-N 1 2 262.309 1.276 20 30 CDEDLO COc1cccc(C#N)c1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001226250493 1160149984 /nfs/dbraw/zinc/14/99/84/1160149984.db2.gz MXHZGNNQQAQNOL-LBPRGKRZSA-N 1 2 262.309 1.276 20 30 CDEDLO CC[N@H+](CC#CCOC)CC(=O)Nc1ccccc1OC ZINC000677476518 482680275 /nfs/dbraw/zinc/68/02/75/482680275.db2.gz SLMIRLORWONGKA-UHFFFAOYSA-N 1 2 290.363 1.605 20 30 CDEDLO CC[N@@H+](CC#CCOC)CC(=O)Nc1ccccc1OC ZINC000677476518 482680278 /nfs/dbraw/zinc/68/02/78/482680278.db2.gz SLMIRLORWONGKA-UHFFFAOYSA-N 1 2 290.363 1.605 20 30 CDEDLO COCC#CC[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000677818606 482794404 /nfs/dbraw/zinc/79/44/04/482794404.db2.gz CYFYTMUSRJCIRS-UHFFFAOYSA-N 1 2 255.321 1.612 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000675497078 483320787 /nfs/dbraw/zinc/32/07/87/483320787.db2.gz XDKADFXFPNWTQQ-ZJUUUORDSA-N 1 2 253.264 1.577 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000675497078 483320794 /nfs/dbraw/zinc/32/07/94/483320794.db2.gz XDKADFXFPNWTQQ-ZJUUUORDSA-N 1 2 253.264 1.577 20 30 CDEDLO C=CCOc1ccc(C(=O)NCCc2c[nH+]cn2C)cc1 ZINC000680343461 483587223 /nfs/dbraw/zinc/58/72/23/483587223.db2.gz BOIIXRUZVAIERJ-UHFFFAOYSA-N 1 2 285.347 1.957 20 30 CDEDLO C[C@H](O)C[C@@H]1CCCN1C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330302876 534094056 /nfs/dbraw/zinc/09/40/56/534094056.db2.gz OSMUIRHGAIVCQJ-AVGNSLFASA-N 1 2 292.383 1.347 20 30 CDEDLO C=CCO[C@H](C)C(=O)NC[C@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113639707 1162245091 /nfs/dbraw/zinc/24/50/91/1162245091.db2.gz JDRWTHBQDYASNQ-NWDGAFQWSA-N 1 2 292.383 1.317 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000157406545 523523844 /nfs/dbraw/zinc/52/38/44/523523844.db2.gz FCASIBDBFHUDBS-WFASDCNBSA-N 1 2 290.363 1.539 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000157406545 523523854 /nfs/dbraw/zinc/52/38/54/523523854.db2.gz FCASIBDBFHUDBS-WFASDCNBSA-N 1 2 290.363 1.539 20 30 CDEDLO COCC[N@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000049236639 523576012 /nfs/dbraw/zinc/57/60/12/523576012.db2.gz VTVCHHDPPNABFJ-UHFFFAOYSA-N 1 2 265.313 1.285 20 30 CDEDLO COCC[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000049236639 523576023 /nfs/dbraw/zinc/57/60/23/523576023.db2.gz VTVCHHDPPNABFJ-UHFFFAOYSA-N 1 2 265.313 1.285 20 30 CDEDLO C=CCNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000352750002 526617814 /nfs/dbraw/zinc/61/78/14/526617814.db2.gz VIXFEUAQPMZCKM-UHFFFAOYSA-N 1 2 257.297 1.634 20 30 CDEDLO C=CCOCC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000354568342 526709565 /nfs/dbraw/zinc/70/95/65/526709565.db2.gz ZKTZZHVRLXGGSC-UHFFFAOYSA-N 1 2 285.347 1.750 20 30 CDEDLO C=CCOCCC[N@@H+]1CCO[C@@H](c2noc(C)n2)C1 ZINC000347974603 526757620 /nfs/dbraw/zinc/75/76/20/526757620.db2.gz USHZLXPARBGFNG-GFCCVEGCSA-N 1 2 267.329 1.344 20 30 CDEDLO C=CCOCCC[N@H+]1CCO[C@@H](c2noc(C)n2)C1 ZINC000347974603 526757623 /nfs/dbraw/zinc/75/76/23/526757623.db2.gz USHZLXPARBGFNG-GFCCVEGCSA-N 1 2 267.329 1.344 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+](C)CC(=O)NC(C)C ZINC000106861284 527124571 /nfs/dbraw/zinc/12/45/71/527124571.db2.gz RBLPWAKLFKEBSH-UHFFFAOYSA-N 1 2 274.364 1.655 20 30 CDEDLO C#CCOc1ccccc1C[N@H+](C)CC(=O)NC(C)C ZINC000106861284 527124575 /nfs/dbraw/zinc/12/45/75/527124575.db2.gz RBLPWAKLFKEBSH-UHFFFAOYSA-N 1 2 274.364 1.655 20 30 CDEDLO C=CCC[C@H](O)C[NH2+][C@H](C)c1noc(COC(C)C)n1 ZINC000352681706 527495318 /nfs/dbraw/zinc/49/53/18/527495318.db2.gz YYEGFBNPYGRPRJ-NEPJUHHUSA-N 1 2 283.372 1.972 20 30 CDEDLO C=C(Br)CNC(=O)NCc1[nH+]ccn1C ZINC000728749053 574644509 /nfs/dbraw/zinc/64/45/09/574644509.db2.gz KIMYXQCDGBCRCJ-UHFFFAOYSA-N 1 2 273.134 1.128 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(NC(N)=O)c1 ZINC000730275151 574908291 /nfs/dbraw/zinc/90/82/91/574908291.db2.gz URMHAOKQCWVWFC-ZDUSSCGKSA-N 1 2 286.335 1.213 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(NC(N)=O)c1 ZINC000730275151 574908292 /nfs/dbraw/zinc/90/82/92/574908292.db2.gz URMHAOKQCWVWFC-ZDUSSCGKSA-N 1 2 286.335 1.213 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc[nH]c1C(C)C ZINC001038614850 679854295 /nfs/dbraw/zinc/85/42/95/679854295.db2.gz AXKBHTWYGNQGKE-GFCCVEGCSA-N 1 2 259.353 1.575 20 30 CDEDLO N#CCCN1CC[NH+](C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000760943389 576527537 /nfs/dbraw/zinc/52/75/37/576527537.db2.gz LXLXMNYZUDYTTK-HNNXBMFYSA-N 1 2 293.798 1.905 20 30 CDEDLO Cc1nc2sccn2c1C[N@H+](C)CC(=O)NCCC#N ZINC000761915000 576604975 /nfs/dbraw/zinc/60/49/75/576604975.db2.gz USKNCXMQZIDKDR-UHFFFAOYSA-N 1 2 291.380 1.166 20 30 CDEDLO Cc1nc2sccn2c1C[N@@H+](C)CC(=O)NCCC#N ZINC000761915000 576604979 /nfs/dbraw/zinc/60/49/79/576604979.db2.gz USKNCXMQZIDKDR-UHFFFAOYSA-N 1 2 291.380 1.166 20 30 CDEDLO C[C@@H](NC(=S)NN=Cc1cccc2[nH+]ccn21)C1CC1 ZINC000771101463 575548765 /nfs/dbraw/zinc/54/87/65/575548765.db2.gz ZLPIMDSHUXSMFL-SNVBAGLBSA-N 1 2 287.392 1.931 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(C(C)=O)o2)CC1 ZINC000772152598 575666563 /nfs/dbraw/zinc/66/65/63/575666563.db2.gz CEBBWAHVSYZSHU-UHFFFAOYSA-N 1 2 274.320 1.263 20 30 CDEDLO C#C[C@H](NC(=O)Cc1cn2ccccc2[nH+]1)[C@H]1CCCO1 ZINC000772883338 575762972 /nfs/dbraw/zinc/76/29/72/575762972.db2.gz ZIOCCVUHACINTB-UONOGXRCSA-N 1 2 283.331 1.174 20 30 CDEDLO C#C[C@@H](NC(=O)NCCCCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000773228825 575793492 /nfs/dbraw/zinc/79/34/92/575793492.db2.gz JLWJWOIESFYLFF-ZIAGYGMSSA-N 1 2 290.367 1.143 20 30 CDEDLO C#CC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000766037915 576073564 /nfs/dbraw/zinc/07/35/64/576073564.db2.gz HWUIPBJCLDDSJI-HIFRSBDPSA-N 1 2 292.766 1.461 20 30 CDEDLO C#CC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000766037915 576073566 /nfs/dbraw/zinc/07/35/66/576073566.db2.gz HWUIPBJCLDDSJI-HIFRSBDPSA-N 1 2 292.766 1.461 20 30 CDEDLO C=C(C)C[N@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766631735 576117052 /nfs/dbraw/zinc/11/70/52/576117052.db2.gz IODRCMHVUCCCLV-UHFFFAOYSA-N 1 2 257.337 1.674 20 30 CDEDLO C=C(C)C[N@@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766631735 576117054 /nfs/dbraw/zinc/11/70/54/576117054.db2.gz IODRCMHVUCCCLV-UHFFFAOYSA-N 1 2 257.337 1.674 20 30 CDEDLO C[C@H](C#N)OC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741354263 576553890 /nfs/dbraw/zinc/55/38/90/576553890.db2.gz NLJIIJGWHNOSNZ-UKRRQHHQSA-N 1 2 288.347 1.733 20 30 CDEDLO C[C@H](C#N)OC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741354263 576553892 /nfs/dbraw/zinc/55/38/92/576553892.db2.gz NLJIIJGWHNOSNZ-UKRRQHHQSA-N 1 2 288.347 1.733 20 30 CDEDLO Cn1cc(N=NC2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000761881499 576602965 /nfs/dbraw/zinc/60/29/65/576602965.db2.gz PZQYYSYYJIIVSZ-UHFFFAOYSA-N 1 2 270.340 1.883 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCc3ccc(OC)cc32)CC1 ZINC000761886296 576603681 /nfs/dbraw/zinc/60/36/81/576603681.db2.gz YFXQYROVSDENPR-INIZCTEOSA-N 1 2 298.386 1.502 20 30 CDEDLO CC(N=NC1=[NH+][C@@H]2CCCC[C@@H]2N1)C1CCOCC1 ZINC000753934817 576866970 /nfs/dbraw/zinc/86/69/70/576866970.db2.gz KFBFDGVMRJYONO-BETUJISGSA-N 1 2 264.373 1.649 20 30 CDEDLO COCCC(N=NC1=[NH+][C@H]2CCCC[C@@H]2N1)C(C)C ZINC000753935259 576867090 /nfs/dbraw/zinc/86/70/90/576867090.db2.gz MYVKLLODGFXICU-STQMWFEESA-N 1 2 266.389 1.895 20 30 CDEDLO C#CC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000754066567 576877106 /nfs/dbraw/zinc/87/71/06/576877106.db2.gz FVBKGNVEEBMZAU-UHFFFAOYSA-N 1 2 267.332 1.765 20 30 CDEDLO C#CCOc1ccc(C(=O)OCc2c[nH+]cn2C)cc1 ZINC000747780692 576884223 /nfs/dbraw/zinc/88/42/23/576884223.db2.gz GVFRXXZYYRMLQN-UHFFFAOYSA-N 1 2 270.288 1.789 20 30 CDEDLO C#CCNC(=O)CO[NH+]=C(N)c1cccc(C(F)(F)F)c1 ZINC000747827847 576885865 /nfs/dbraw/zinc/88/58/65/576885865.db2.gz RSMAQUMVTBEGTC-UHFFFAOYSA-N 1 2 299.252 1.301 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ncccc2OCC)CC1 ZINC000748708292 576921915 /nfs/dbraw/zinc/92/19/15/576921915.db2.gz GUTAVSPGWOJOBO-UHFFFAOYSA-N 1 2 287.363 1.261 20 30 CDEDLO CC[C@H](C)NC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000749787770 576962234 /nfs/dbraw/zinc/96/22/34/576962234.db2.gz YEXKHGVVZUNHRF-VHSXEESVSA-N 1 2 281.331 1.766 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1=S ZINC000749796092 576962783 /nfs/dbraw/zinc/96/27/83/576962783.db2.gz GWQAWSJZELDGTO-NWDGAFQWSA-N 1 2 295.412 1.311 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1=S ZINC000749796092 576962785 /nfs/dbraw/zinc/96/27/85/576962785.db2.gz GWQAWSJZELDGTO-NWDGAFQWSA-N 1 2 295.412 1.311 20 30 CDEDLO N#CCOc1ccc(C[N@@H+]2CCc3c[nH]nc3C2)cc1 ZINC000750720505 577002193 /nfs/dbraw/zinc/00/21/93/577002193.db2.gz HFGMEEGULLOKTE-UHFFFAOYSA-N 1 2 268.320 1.870 20 30 CDEDLO N#CCOc1ccc(C[N@H+]2CCc3c[nH]nc3C2)cc1 ZINC000750720505 577002194 /nfs/dbraw/zinc/00/21/94/577002194.db2.gz HFGMEEGULLOKTE-UHFFFAOYSA-N 1 2 268.320 1.870 20 30 CDEDLO N#CCOc1ccc(C[N@@H+]2CCc3cn[nH]c3C2)cc1 ZINC000750720505 577002196 /nfs/dbraw/zinc/00/21/96/577002196.db2.gz HFGMEEGULLOKTE-UHFFFAOYSA-N 1 2 268.320 1.870 20 30 CDEDLO N#CCOc1ccc(C[N@H+]2CCc3cn[nH]c3C2)cc1 ZINC000750720505 577002198 /nfs/dbraw/zinc/00/21/98/577002198.db2.gz HFGMEEGULLOKTE-UHFFFAOYSA-N 1 2 268.320 1.870 20 30 CDEDLO C=CCNC(=O)c1ccccc1NC(=O)CCn1cc[nH+]c1 ZINC000750850679 577009480 /nfs/dbraw/zinc/00/94/80/577009480.db2.gz ITJFJJPRTFLHDS-UHFFFAOYSA-N 1 2 298.346 1.828 20 30 CDEDLO C#CCCn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000751781396 577065457 /nfs/dbraw/zinc/06/54/57/577065457.db2.gz DKSAZTJJAGONHK-HNNXBMFYSA-N 1 2 297.362 1.270 20 30 CDEDLO C#CCCn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000751781396 577065459 /nfs/dbraw/zinc/06/54/59/577065459.db2.gz DKSAZTJJAGONHK-HNNXBMFYSA-N 1 2 297.362 1.270 20 30 CDEDLO CC[N@H+](CC(=O)NC)Cc1ccc(C#N)cc1OC(F)F ZINC000752288129 577097504 /nfs/dbraw/zinc/09/75/04/577097504.db2.gz TUPDIKHDPAPGAM-UHFFFAOYSA-N 1 2 297.305 1.728 20 30 CDEDLO CC[N@@H+](CC(=O)NC)Cc1ccc(C#N)cc1OC(F)F ZINC000752288129 577097505 /nfs/dbraw/zinc/09/75/05/577097505.db2.gz TUPDIKHDPAPGAM-UHFFFAOYSA-N 1 2 297.305 1.728 20 30 CDEDLO Cn1ccnc(N=NCc2ccc(N3CCCC3)[nH+]c2)c1=O ZINC000758378247 577103079 /nfs/dbraw/zinc/10/30/79/577103079.db2.gz LWPSYAXXNWDZAO-UHFFFAOYSA-N 1 2 298.350 1.222 20 30 CDEDLO C#CC[N@H+](Cc1ccc(-c2nn[nH]n2)s1)C1CSC1 ZINC001602718632 1175373101 /nfs/dbraw/zinc/37/31/01/1175373101.db2.gz YTLXPPJMRDRTEK-UHFFFAOYSA-N 1 2 291.405 1.479 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)C1CSC1 ZINC001602718632 1175373106 /nfs/dbraw/zinc/37/31/06/1175373106.db2.gz YTLXPPJMRDRTEK-UHFFFAOYSA-N 1 2 291.405 1.479 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cn(CC)nc2C)C1 ZINC000952381573 612992866 /nfs/dbraw/zinc/99/28/66/612992866.db2.gz ZRSLEFMOPROOQG-UHFFFAOYSA-N 1 2 288.395 1.381 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[NH+](CC=C)CC2)nc1 ZINC000957365805 613170122 /nfs/dbraw/zinc/17/01/22/613170122.db2.gz XIEQPKFHTKTRIX-UHFFFAOYSA-N 1 2 255.321 1.007 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C3=CCCC3)CC2)C1 ZINC000949340380 613210109 /nfs/dbraw/zinc/21/01/09/613210109.db2.gz MDGJVJIZLWTYLY-UHFFFAOYSA-N 1 2 288.391 1.423 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C3=CCCC3)CC2)C1 ZINC000949340380 613210112 /nfs/dbraw/zinc/21/01/12/613210112.db2.gz MDGJVJIZLWTYLY-UHFFFAOYSA-N 1 2 288.391 1.423 20 30 CDEDLO C#Cc1cncc(C(=O)N(CC)C2C[NH+](CC)C2)c1 ZINC000951719618 613211593 /nfs/dbraw/zinc/21/15/93/613211593.db2.gz WKIBWECOVUFFQU-UHFFFAOYSA-N 1 2 257.337 1.229 20 30 CDEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCCO1 ZINC000948985469 613279814 /nfs/dbraw/zinc/27/98/14/613279814.db2.gz DYXJSBRRLAWDTI-IAGOWNOFSA-N 1 2 298.386 1.514 20 30 CDEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCCO1 ZINC000948985469 613279815 /nfs/dbraw/zinc/27/98/15/613279815.db2.gz DYXJSBRRLAWDTI-IAGOWNOFSA-N 1 2 298.386 1.514 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2scnc2C)C(C)(C)C1 ZINC000972831418 613285823 /nfs/dbraw/zinc/28/58/23/613285823.db2.gz UPIHUAWREBERDK-LLVKDONJSA-N 1 2 277.393 1.525 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2scnc2C)C(C)(C)C1 ZINC000972831418 613285824 /nfs/dbraw/zinc/28/58/24/613285824.db2.gz UPIHUAWREBERDK-LLVKDONJSA-N 1 2 277.393 1.525 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@@H](C)CO2)C1 ZINC000950919937 613294917 /nfs/dbraw/zinc/29/49/17/613294917.db2.gz OWAGLMDXSJRWGS-OCCSQVGLSA-N 1 2 266.385 1.520 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCNC(=O)CC2)C1 ZINC000950989225 613295664 /nfs/dbraw/zinc/29/56/64/613295664.db2.gz IKKQJBROZRPWJQ-CYBMUJFWSA-N 1 2 293.411 1.012 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccncc2F)C1 ZINC000949813067 613297049 /nfs/dbraw/zinc/29/70/49/613297049.db2.gz VKQXUFINIUSNLG-UHFFFAOYSA-N 1 2 277.343 1.943 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2ncc(Cl)s2)C(C)(C)C1 ZINC000974826408 613301908 /nfs/dbraw/zinc/30/19/08/613301908.db2.gz LJXBAKXAACSJTB-VIFPVBQESA-N 1 2 297.811 1.870 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2ncc(Cl)s2)C(C)(C)C1 ZINC000974826408 613301910 /nfs/dbraw/zinc/30/19/10/613301910.db2.gz LJXBAKXAACSJTB-VIFPVBQESA-N 1 2 297.811 1.870 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H]2C[C@H](C)CO2)CC1 ZINC000949368146 613319589 /nfs/dbraw/zinc/31/95/89/613319589.db2.gz VFJDYBOYZGKGEB-QWHCGFSZSA-N 1 2 252.358 1.132 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnc(Cl)n2C)CC1 ZINC000949286068 613321751 /nfs/dbraw/zinc/32/17/51/613321751.db2.gz PBPDCRSAQAWFBU-UHFFFAOYSA-N 1 2 282.775 1.407 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC2(F)F)C1 ZINC000969632304 613371522 /nfs/dbraw/zinc/37/15/22/613371522.db2.gz MNFLANODSALJCI-PSASIEDQSA-N 1 2 278.730 1.831 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC000969908882 613371618 /nfs/dbraw/zinc/37/16/18/613371618.db2.gz WZXYRHCXFNSQNF-MRVPVSSYSA-N 1 2 298.774 1.226 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnccn2)C1 ZINC000969229790 613371955 /nfs/dbraw/zinc/37/19/55/613371955.db2.gz BEDIXGODRCZXPB-SNVBAGLBSA-N 1 2 280.759 1.279 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000969513178 613372402 /nfs/dbraw/zinc/37/24/02/613372402.db2.gz ALKKEBIZBXLYIT-JTQLQIEISA-N 1 2 292.770 1.689 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2ccon2)C1 ZINC000965564623 613375858 /nfs/dbraw/zinc/37/58/58/613375858.db2.gz ZIBHINMZHFOJTI-ZWNOBZJWSA-N 1 2 297.786 1.796 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2ccon2)C1 ZINC000965564623 613375859 /nfs/dbraw/zinc/37/58/59/613375859.db2.gz ZIBHINMZHFOJTI-ZWNOBZJWSA-N 1 2 297.786 1.796 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccco2)C1 ZINC000957783856 613380250 /nfs/dbraw/zinc/38/02/50/613380250.db2.gz NHXPGOWTZJMTSG-WDEREUQCSA-N 1 2 284.743 1.055 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccco2)C1 ZINC000957783856 613380251 /nfs/dbraw/zinc/38/02/51/613380251.db2.gz NHXPGOWTZJMTSG-WDEREUQCSA-N 1 2 284.743 1.055 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC000949659552 613433369 /nfs/dbraw/zinc/43/33/69/613433369.db2.gz ODQMXTWNFVXBMV-UHFFFAOYSA-N 1 2 276.384 1.240 20 30 CDEDLO COCC[C@@](C)(C#N)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000890897834 617346348 /nfs/dbraw/zinc/34/63/48/617346348.db2.gz DPARIHYRGGKGRB-HNNXBMFYSA-N 1 2 286.335 1.691 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCC2CCOCC2)CC1 ZINC000951180110 613561865 /nfs/dbraw/zinc/56/18/65/613561865.db2.gz ATMYSEUTFOIHEA-UHFFFAOYSA-N 1 2 278.396 1.361 20 30 CDEDLO C=CC[NH+]1CC([C@@H](C)NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC000970860592 613666131 /nfs/dbraw/zinc/66/61/31/613666131.db2.gz HTKIVTQIFNDTCA-SNVBAGLBSA-N 1 2 285.351 1.194 20 30 CDEDLO CNS(=O)(=O)C1CC[NH+](Cc2csc(C#N)c2)CC1 ZINC000892012512 617407326 /nfs/dbraw/zinc/40/73/26/617407326.db2.gz CMEPKENFXOIQOX-UHFFFAOYSA-N 1 2 299.421 1.133 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)C(C)(F)F)CC1 ZINC000957477104 613707205 /nfs/dbraw/zinc/70/72/05/613707205.db2.gz NBSMZGJNFTXXLU-UHFFFAOYSA-N 1 2 260.328 1.998 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CC[C@H]2CC[C@@H](C)O2)CC1 ZINC000957727822 613707502 /nfs/dbraw/zinc/70/75/02/613707502.db2.gz PVGIXCKTAMQLTF-ZIAGYGMSSA-N 1 2 266.385 1.664 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2nc(C)cs2)CC1 ZINC000949311971 613708437 /nfs/dbraw/zinc/70/84/37/613708437.db2.gz UYLQPNGGCNDAKN-UHFFFAOYSA-N 1 2 279.409 1.714 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H](CC)O2)CC1 ZINC000948603257 613711243 /nfs/dbraw/zinc/71/12/43/613711243.db2.gz BBMSBYLOCIYWGS-OLZOCXBDSA-N 1 2 252.358 1.274 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H](OC)C2)CC1 ZINC000948948103 613711356 /nfs/dbraw/zinc/71/13/56/613711356.db2.gz FPFGYCYYLUEMBR-CHWSQXEVSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@]2(C)CCO[C@H]2C)CC1 ZINC000949448056 613714103 /nfs/dbraw/zinc/71/41/03/613714103.db2.gz ROGDLSYWOQKVRU-GXTWGEPZSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc(NC(N)=O)c2)CC1 ZINC000957605823 613716870 /nfs/dbraw/zinc/71/68/70/613716870.db2.gz ZRPNZWCOQIHJML-UHFFFAOYSA-N 1 2 288.351 1.121 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccccc2-n2ccnn2)CC1 ZINC000957933289 613716890 /nfs/dbraw/zinc/71/68/90/613716890.db2.gz DEPYGSWXCVQSPX-UHFFFAOYSA-N 1 2 297.362 1.211 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC(C)(F)F)C2)C1 ZINC000972532927 613723714 /nfs/dbraw/zinc/72/37/14/613723714.db2.gz XJSLWJDJISMNSV-AWEZNQCLSA-N 1 2 288.338 1.521 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC(C)(F)F)C2)C1 ZINC000972532927 613723715 /nfs/dbraw/zinc/72/37/15/613723715.db2.gz XJSLWJDJISMNSV-AWEZNQCLSA-N 1 2 288.338 1.521 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ncoc3C)C2)C1 ZINC000972290741 613724142 /nfs/dbraw/zinc/72/41/42/613724142.db2.gz XTLZHCNQETUAIN-HNNXBMFYSA-N 1 2 291.351 1.086 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ncoc3C)C2)C1 ZINC000972290741 613724143 /nfs/dbraw/zinc/72/41/43/613724143.db2.gz XTLZHCNQETUAIN-HNNXBMFYSA-N 1 2 291.351 1.086 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCC)C2)C1 ZINC000972223410 613725471 /nfs/dbraw/zinc/72/54/71/613725471.db2.gz BRLDHMDBGJMDPK-CQSZACIVSA-N 1 2 252.358 1.276 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CCC)C2)C1 ZINC000972223410 613725475 /nfs/dbraw/zinc/72/54/75/613725475.db2.gz BRLDHMDBGJMDPK-CQSZACIVSA-N 1 2 252.358 1.276 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC3(C)C)C2)C1 ZINC000972343047 613726243 /nfs/dbraw/zinc/72/62/43/613726243.db2.gz NCJXFGUCDMMTER-XJKSGUPXSA-N 1 2 278.396 1.522 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC3(C)C)C2)C1 ZINC000972343047 613726244 /nfs/dbraw/zinc/72/62/44/613726244.db2.gz NCJXFGUCDMMTER-XJKSGUPXSA-N 1 2 278.396 1.522 20 30 CDEDLO CNc1cc(N2CCN(c3cccc(C#N)n3)CC2)nc[nH+]1 ZINC000893182297 617445217 /nfs/dbraw/zinc/44/52/17/617445217.db2.gz OMGNEZRNBBQIJJ-UHFFFAOYSA-N 1 2 295.350 1.112 20 30 CDEDLO CNc1cc(N2CCN(c3cccc(C#N)n3)CC2)[nH+]cn1 ZINC000893182297 617445220 /nfs/dbraw/zinc/44/52/20/617445220.db2.gz OMGNEZRNBBQIJJ-UHFFFAOYSA-N 1 2 295.350 1.112 20 30 CDEDLO C#CC[NH+]1CCN(c2cc(Cl)nc(COCC)n2)CC1 ZINC000891677930 617534475 /nfs/dbraw/zinc/53/44/75/617534475.db2.gz IXCGWEMZSNXJPL-UHFFFAOYSA-N 1 2 294.786 1.422 20 30 CDEDLO Cc1ccc(C#N)cc1C(=O)OCCc1c[nH+]cn1C ZINC000924392517 617826943 /nfs/dbraw/zinc/82/69/43/617826943.db2.gz RZYBRQBOOFPSBC-UHFFFAOYSA-N 1 2 269.304 2.000 20 30 CDEDLO C=CCC[C@H](CO)Nc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000894112440 618445177 /nfs/dbraw/zinc/44/51/77/618445177.db2.gz GQTBHCBNQYAZEY-NWDGAFQWSA-N 1 2 280.372 1.398 20 30 CDEDLO C=CCC[C@H](CO)Nc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000894112440 618445189 /nfs/dbraw/zinc/44/51/89/618445189.db2.gz GQTBHCBNQYAZEY-NWDGAFQWSA-N 1 2 280.372 1.398 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(F)c(C)c2)C1=O ZINC000894230206 618739244 /nfs/dbraw/zinc/73/92/44/618739244.db2.gz BQMKNVSPNBVFQM-CYBMUJFWSA-N 1 2 277.343 1.748 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(F)c(C)c2)C1=O ZINC000894230206 618739245 /nfs/dbraw/zinc/73/92/45/618739245.db2.gz BQMKNVSPNBVFQM-CYBMUJFWSA-N 1 2 277.343 1.748 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2cc(Cl)ccc2F)CCCN1O ZINC000895163307 619386123 /nfs/dbraw/zinc/38/61/23/619386123.db2.gz SYDWBOYYEANVRE-NSHDSACASA-N 1 2 272.707 1.949 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)Nc1ccc(C)nc1C#N ZINC000895798864 619850486 /nfs/dbraw/zinc/85/04/86/619850486.db2.gz JVABYDGPPCMXGZ-CYBMUJFWSA-N 1 2 274.368 1.784 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)C#CC(C)(C)C ZINC000928649066 620334119 /nfs/dbraw/zinc/33/41/19/620334119.db2.gz VYWSZMSYRFPPFU-ZDUSSCGKSA-N 1 2 266.385 1.263 20 30 CDEDLO C=C[C@@H](C)ONC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000898281001 621458838 /nfs/dbraw/zinc/45/88/38/621458838.db2.gz NNQNKAZYFRIHFU-BXKDBHETSA-N 1 2 264.329 1.412 20 30 CDEDLO C=C[C@@H](C)ONC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000898281001 621458847 /nfs/dbraw/zinc/45/88/47/621458847.db2.gz NNQNKAZYFRIHFU-BXKDBHETSA-N 1 2 264.329 1.412 20 30 CDEDLO C=C1C[NH+](C[C@@H](O)COc2ccc(CCOC)cc2)C1 ZINC000899899820 622514058 /nfs/dbraw/zinc/51/40/58/622514058.db2.gz BYZHDSSWYOPSBS-OAHLLOKOSA-N 1 2 277.364 1.487 20 30 CDEDLO CC[NH+]1CCN(C(=O)/C=C\C(=O)c2ccc(C)cc2)CC1 ZINC000899907883 622527275 /nfs/dbraw/zinc/52/72/75/622527275.db2.gz ORNFBKOGSKTSQR-HJWRWDBZSA-N 1 2 286.375 1.898 20 30 CDEDLO CCn1c[nH+]cc1/C=C1/CCc2nn(C)cc2C1=O ZINC000901508226 624309532 /nfs/dbraw/zinc/30/95/32/624309532.db2.gz POYXVFZYWAIYNM-POHAHGRESA-N 1 2 256.309 1.849 20 30 CDEDLO C[NH+](C)Cc1cnc(C=CC(=O)c2c[nH]cn2)s1 ZINC000901541328 624326833 /nfs/dbraw/zinc/32/68/33/624326833.db2.gz VERJIHOEKNBMLG-ARJAWSKDSA-N 1 2 262.338 1.824 20 30 CDEDLO Cc1ccn(CCCc2c[nH+]cn2C)c(=O)c1C#N ZINC000902298810 624648848 /nfs/dbraw/zinc/64/88/48/624648848.db2.gz SHUHARXBYQUDMC-UHFFFAOYSA-N 1 2 256.309 1.395 20 30 CDEDLO C[C@@H](C#N)OCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000801915798 624876600 /nfs/dbraw/zinc/87/66/00/624876600.db2.gz UULCOLUNCCAMMB-ZFWWWQNUSA-N 1 2 260.337 1.989 20 30 CDEDLO C[C@@H](C#N)OCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000801915798 624876604 /nfs/dbraw/zinc/87/66/04/624876604.db2.gz UULCOLUNCCAMMB-ZFWWWQNUSA-N 1 2 260.337 1.989 20 30 CDEDLO N#Cc1sccc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000905085547 626602568 /nfs/dbraw/zinc/60/25/68/626602568.db2.gz ODHNUQQZCRTPRH-UHFFFAOYSA-N 1 2 298.371 1.977 20 30 CDEDLO C=CC[C@@H]([NH2+]C1CCN(C(=O)OCC)CC1)C(=O)OC ZINC000905748850 626945095 /nfs/dbraw/zinc/94/50/95/626945095.db2.gz YMLHTRNUOGMLLF-GFCCVEGCSA-N 1 2 284.356 1.315 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000913808510 630790616 /nfs/dbraw/zinc/79/06/16/630790616.db2.gz DDCRCFDJBNXYBX-RBSFLKMASA-N 1 2 296.411 1.195 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000913808510 630790619 /nfs/dbraw/zinc/79/06/19/630790619.db2.gz DDCRCFDJBNXYBX-RBSFLKMASA-N 1 2 296.411 1.195 20 30 CDEDLO C#CC[C@@H](CO)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000914351627 631365031 /nfs/dbraw/zinc/36/50/31/631365031.db2.gz ILTCZBQLKSZYBD-AWEZNQCLSA-N 1 2 298.346 1.056 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000931845205 682810499 /nfs/dbraw/zinc/81/04/99/682810499.db2.gz AJHPDOCIBDKGJU-ZDUSSCGKSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000931845205 682810501 /nfs/dbraw/zinc/81/05/01/682810501.db2.gz AJHPDOCIBDKGJU-ZDUSSCGKSA-N 1 2 268.401 1.816 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)C(C)(C)C ZINC000812021726 682853072 /nfs/dbraw/zinc/85/30/72/682853072.db2.gz YSFUTVUIHFLGJL-STQMWFEESA-N 1 2 281.400 1.054 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCO[C@@H](C)C1)C(C)(C)C ZINC000812021726 682853073 /nfs/dbraw/zinc/85/30/73/682853073.db2.gz YSFUTVUIHFLGJL-STQMWFEESA-N 1 2 281.400 1.054 20 30 CDEDLO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001006947456 679704178 /nfs/dbraw/zinc/70/41/78/679704178.db2.gz ZCTUIANKFMUEDC-CYBMUJFWSA-N 1 2 276.384 1.797 20 30 CDEDLO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001006947456 679704180 /nfs/dbraw/zinc/70/41/80/679704180.db2.gz ZCTUIANKFMUEDC-CYBMUJFWSA-N 1 2 276.384 1.797 20 30 CDEDLO CCC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046055290 679762162 /nfs/dbraw/zinc/76/21/62/679762162.db2.gz VURCGIRTQCSJON-AWEZNQCLSA-N 1 2 292.427 1.165 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccn(C)n1 ZINC000960501481 679744252 /nfs/dbraw/zinc/74/42/52/679744252.db2.gz KEXBGZPOOJFRQY-JSGCOSHPSA-N 1 2 289.383 1.003 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccn(C)n1 ZINC000960501481 679744253 /nfs/dbraw/zinc/74/42/53/679744253.db2.gz KEXBGZPOOJFRQY-JSGCOSHPSA-N 1 2 289.383 1.003 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ncccc2CC)C1 ZINC001035418681 679744988 /nfs/dbraw/zinc/74/49/88/679744988.db2.gz CUQOUAGPBZTKNE-AWEZNQCLSA-N 1 2 289.379 1.261 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ncccc2CC)C1 ZINC001035418681 679744989 /nfs/dbraw/zinc/74/49/89/679744989.db2.gz CUQOUAGPBZTKNE-AWEZNQCLSA-N 1 2 289.379 1.261 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCCOC2)C1 ZINC001015911727 679748691 /nfs/dbraw/zinc/74/86/91/679748691.db2.gz SVTVPVDJRPDJTR-GXTWGEPZSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCCOC2)C1 ZINC001015911727 679748693 /nfs/dbraw/zinc/74/86/93/679748693.db2.gz SVTVPVDJRPDJTR-GXTWGEPZSA-N 1 2 286.803 1.746 20 30 CDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C#CC(C)(C)C ZINC000837631715 679752346 /nfs/dbraw/zinc/75/23/46/679752346.db2.gz XKHUUBLSXXUEOD-KGLIPLIRSA-N 1 2 278.396 1.358 20 30 CDEDLO Cc1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)C#CC(C)C)C2)o1 ZINC000830559973 679756936 /nfs/dbraw/zinc/75/69/36/679756936.db2.gz YJNROSPUIWQHEY-CQSZACIVSA-N 1 2 289.379 1.675 20 30 CDEDLO Cc1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)C#CC(C)C)C2)o1 ZINC000830559973 679756937 /nfs/dbraw/zinc/75/69/37/679756937.db2.gz YJNROSPUIWQHEY-CQSZACIVSA-N 1 2 289.379 1.675 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cccc(F)c2C#N)CC1 ZINC000778644172 679757223 /nfs/dbraw/zinc/75/72/23/679757223.db2.gz RGSYCIJMAYWXDM-UHFFFAOYSA-N 1 2 285.322 1.478 20 30 CDEDLO C#C[C@](C)(CC)[NH2+]Cc1nnnn1Cc1ccccc1 ZINC000852098733 679760757 /nfs/dbraw/zinc/76/07/57/679760757.db2.gz UROOCSVISSRLRG-OAHLLOKOSA-N 1 2 269.352 1.613 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2ccc(Cl)nc2)CC1 ZINC000134609190 679765918 /nfs/dbraw/zinc/76/59/18/679765918.db2.gz UKOJTLFRVPBJNO-GQCTYLIASA-N 1 2 289.766 1.526 20 30 CDEDLO C#Cc1cccc(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC000848208061 679775180 /nfs/dbraw/zinc/77/51/80/679775180.db2.gz GETVNDAMZRFFMB-LBPRGKRZSA-N 1 2 267.332 1.886 20 30 CDEDLO C#Cc1cccc(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC000848208061 679775182 /nfs/dbraw/zinc/77/51/82/679775182.db2.gz GETVNDAMZRFFMB-LBPRGKRZSA-N 1 2 267.332 1.886 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1nc(C)c(C)s1 ZINC000884056106 679780453 /nfs/dbraw/zinc/78/04/53/679780453.db2.gz LMKHLTDUWGQSJO-VIFPVBQESA-N 1 2 283.353 1.145 20 30 CDEDLO COCCc1ncc(C=NNc2cc(C)[nH+]c(N)n2)s1 ZINC000872421450 679794778 /nfs/dbraw/zinc/79/47/78/679794778.db2.gz KRTNIWPWVIFHGT-UHFFFAOYSA-N 1 2 292.368 1.459 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnc(C)n2C)C1 ZINC001033357886 679794828 /nfs/dbraw/zinc/79/48/28/679794828.db2.gz CUECYDNTKJEKKL-LBPRGKRZSA-N 1 2 296.802 1.627 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnc(C)n2C)C1 ZINC001033357886 679794829 /nfs/dbraw/zinc/79/48/29/679794829.db2.gz CUECYDNTKJEKKL-LBPRGKRZSA-N 1 2 296.802 1.627 20 30 CDEDLO C#CCOc1cc(F)ccc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000816935073 679787044 /nfs/dbraw/zinc/78/70/44/679787044.db2.gz JFOBAPNYYOISOL-UHFFFAOYSA-N 1 2 273.267 1.742 20 30 CDEDLO C#CCCCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000192050516 679790339 /nfs/dbraw/zinc/79/03/39/679790339.db2.gz ONIPYRYDQCCXPE-UHFFFAOYSA-N 1 2 252.358 1.017 20 30 CDEDLO CC#CCOC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000175457073 679799411 /nfs/dbraw/zinc/79/94/11/679799411.db2.gz JQGUGTWSXXCQPE-ZDUSSCGKSA-N 1 2 257.333 2.000 20 30 CDEDLO CC#CCOC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000175457073 679799412 /nfs/dbraw/zinc/79/94/12/679799412.db2.gz JQGUGTWSXXCQPE-ZDUSSCGKSA-N 1 2 257.333 2.000 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1nonc1C ZINC001028346009 679801921 /nfs/dbraw/zinc/80/19/21/679801921.db2.gz LLMCREKVBUFKIN-SNVBAGLBSA-N 1 2 284.747 1.325 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1nonc1C ZINC001028346009 679801923 /nfs/dbraw/zinc/80/19/23/679801923.db2.gz LLMCREKVBUFKIN-SNVBAGLBSA-N 1 2 284.747 1.325 20 30 CDEDLO C=CC[N@@H+](CCS(=O)(=O)C(C)C)[C@@H](C)COC ZINC000852356394 679802358 /nfs/dbraw/zinc/80/23/58/679802358.db2.gz CYOAKADYJBDZTD-LBPRGKRZSA-N 1 2 263.403 1.333 20 30 CDEDLO C=CC[N@H+](CCS(=O)(=O)C(C)C)[C@@H](C)COC ZINC000852356394 679802359 /nfs/dbraw/zinc/80/23/59/679802359.db2.gz CYOAKADYJBDZTD-LBPRGKRZSA-N 1 2 263.403 1.333 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)CCC[C@H]1C ZINC000884143992 679803295 /nfs/dbraw/zinc/80/32/95/679803295.db2.gz XQIGFTUNCUVYTN-XQQFMLRXSA-N 1 2 282.384 1.470 20 30 CDEDLO Cc1oncc1C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000801552361 679805392 /nfs/dbraw/zinc/80/53/92/679805392.db2.gz AGAGQCHCYGOMTN-UHFFFAOYSA-N 1 2 283.335 1.572 20 30 CDEDLO CCN1CC[C@@H](O[NH+]=C(N)c2ccc(F)cc2)C1=O ZINC000853646775 679827315 /nfs/dbraw/zinc/82/73/15/679827315.db2.gz ZDGVHPRUAXIHOK-LLVKDONJSA-N 1 2 265.288 1.083 20 30 CDEDLO Cc1nc(N(C)C[C@H]2CCN(C(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001062096534 679826337 /nfs/dbraw/zinc/82/63/37/679826337.db2.gz OOPCOEPZPTXTHN-DGCLKSJQSA-N 1 2 287.367 1.229 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1-c1cnc(C#N)c(C)c1 ZINC001210201577 1158565708 /nfs/dbraw/zinc/56/57/08/1158565708.db2.gz WIAZUWLYDINSBX-UHFFFAOYSA-N 1 2 271.280 1.206 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)C2(F)CCCCC2)CC1 ZINC000989412448 679828056 /nfs/dbraw/zinc/82/80/56/679828056.db2.gz NQGWPYVQKGLYCM-UHFFFAOYSA-N 1 2 266.360 1.826 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)C2(F)CCCCC2)CC1 ZINC000989412448 679828058 /nfs/dbraw/zinc/82/80/58/679828058.db2.gz NQGWPYVQKGLYCM-UHFFFAOYSA-N 1 2 266.360 1.826 20 30 CDEDLO CC[C@H](C#N)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000845270516 679835023 /nfs/dbraw/zinc/83/50/23/679835023.db2.gz UWSWOKWMMABMDL-VXGBXAGGSA-N 1 2 262.357 1.964 20 30 CDEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1C[NH+](Cc2ccccc2)C1 ZINC001042627815 679839400 /nfs/dbraw/zinc/83/94/00/679839400.db2.gz WOFCNLDOFOMYNE-UHFFFAOYSA-N 1 2 294.358 1.843 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C)cc2OC)C1 ZINC001031283408 679841064 /nfs/dbraw/zinc/84/10/64/679841064.db2.gz UPJVVLXQARMCPH-UHFFFAOYSA-N 1 2 272.348 1.441 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C)cc2C)CC1 ZINC000852743264 679845368 /nfs/dbraw/zinc/84/53/68/679845368.db2.gz UJKFFDXXBHSZRZ-INIZCTEOSA-N 1 2 299.418 1.563 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2CC(OCC)C2)C1 ZINC001035351739 679845750 /nfs/dbraw/zinc/84/57/50/679845750.db2.gz GCGDVRLLACSLTC-NRXISQOPSA-N 1 2 296.411 1.195 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C2CC(OCC)C2)C1 ZINC001035351739 679845751 /nfs/dbraw/zinc/84/57/51/679845751.db2.gz GCGDVRLLACSLTC-NRXISQOPSA-N 1 2 296.411 1.195 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3CC=CC3)C[C@@H]21 ZINC001074200710 679847469 /nfs/dbraw/zinc/84/74/69/679847469.db2.gz YWEGAVLXEMXJFS-JKSUJKDBSA-N 1 2 288.391 1.278 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CC=CC3)C[C@@H]21 ZINC001074200710 679847470 /nfs/dbraw/zinc/84/74/70/679847470.db2.gz YWEGAVLXEMXJFS-JKSUJKDBSA-N 1 2 288.391 1.278 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(C)c1C(F)F ZINC001038904209 679852315 /nfs/dbraw/zinc/85/23/15/679852315.db2.gz IADDXZCQBHGNSO-SNVBAGLBSA-N 1 2 296.321 1.185 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(C)c1C(F)F ZINC001038904209 679852316 /nfs/dbraw/zinc/85/23/16/679852316.db2.gz IADDXZCQBHGNSO-SNVBAGLBSA-N 1 2 296.321 1.185 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc[nH]c1C(C)C ZINC001038614850 679854294 /nfs/dbraw/zinc/85/42/94/679854294.db2.gz AXKBHTWYGNQGKE-GFCCVEGCSA-N 1 2 259.353 1.575 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2csc(CC)n2)C1 ZINC001031432588 679861749 /nfs/dbraw/zinc/86/17/49/679861749.db2.gz STSSVIIGKUNAEV-UHFFFAOYSA-N 1 2 279.409 1.625 20 30 CDEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)C(F)F ZINC001009809356 679864693 /nfs/dbraw/zinc/86/46/93/679864693.db2.gz NYMNJZLBAKQJKT-CYBMUJFWSA-N 1 2 278.302 1.494 20 30 CDEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)C(F)F ZINC001009809356 679864695 /nfs/dbraw/zinc/86/46/95/679864695.db2.gz NYMNJZLBAKQJKT-CYBMUJFWSA-N 1 2 278.302 1.494 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3c2CCC3)C1 ZINC001031467217 679872467 /nfs/dbraw/zinc/87/24/67/679872467.db2.gz APYDTJHOXUDIDC-UHFFFAOYSA-N 1 2 268.360 1.613 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(C(F)F)o2)C1 ZINC001044243481 681813708 /nfs/dbraw/zinc/81/37/08/681813708.db2.gz VSCQGQYAHMGEDR-UHFFFAOYSA-N 1 2 282.290 1.997 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001027875057 681873636 /nfs/dbraw/zinc/87/36/36/681873636.db2.gz SLKUZCVRTNVNMF-ZJUUUORDSA-N 1 2 278.730 1.975 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001027875057 681873639 /nfs/dbraw/zinc/87/36/39/681873639.db2.gz SLKUZCVRTNVNMF-ZJUUUORDSA-N 1 2 278.730 1.975 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncnc1C ZINC001017379582 681227580 /nfs/dbraw/zinc/22/75/80/681227580.db2.gz OWBXBWGWDQYARX-OKILXGFUSA-N 1 2 284.363 1.097 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncnc1C ZINC001017379582 681227588 /nfs/dbraw/zinc/22/75/88/681227588.db2.gz OWBXBWGWDQYARX-OKILXGFUSA-N 1 2 284.363 1.097 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccns1 ZINC001032429776 681259964 /nfs/dbraw/zinc/25/99/64/681259964.db2.gz JZIZUHKXTDGMKQ-QWRGUYRKSA-N 1 2 263.366 1.618 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccns1 ZINC001032429776 681259977 /nfs/dbraw/zinc/25/99/77/681259977.db2.gz JZIZUHKXTDGMKQ-QWRGUYRKSA-N 1 2 263.366 1.618 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC13CC3)O2 ZINC001053667780 681260725 /nfs/dbraw/zinc/26/07/25/681260725.db2.gz DTOUHSXWILHGAC-CHWSQXEVSA-N 1 2 276.380 1.322 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](Nc2snc(C)c2C#N)C1 ZINC000884611935 681567128 /nfs/dbraw/zinc/56/71/28/681567128.db2.gz YRMSMMJYUYDMQT-LLVKDONJSA-N 1 2 260.366 1.833 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](Nc2snc(C)c2C#N)C1 ZINC000884611935 681567133 /nfs/dbraw/zinc/56/71/33/681567133.db2.gz YRMSMMJYUYDMQT-LLVKDONJSA-N 1 2 260.366 1.833 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCCO[C@@H]2C)C1 ZINC001030253632 681576992 /nfs/dbraw/zinc/57/69/92/681576992.db2.gz RUOCUTYWHTYIKY-DGCLKSJQSA-N 1 2 252.358 1.178 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1sc(C)nc1C ZINC001038994636 681585002 /nfs/dbraw/zinc/58/50/02/681585002.db2.gz CMOJHPCDPCXQNQ-NSHDSACASA-N 1 2 265.382 1.750 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1sc(C)nc1C ZINC001038994636 681585011 /nfs/dbraw/zinc/58/50/11/681585011.db2.gz CMOJHPCDPCXQNQ-NSHDSACASA-N 1 2 265.382 1.750 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001030724231 681604644 /nfs/dbraw/zinc/60/46/44/681604644.db2.gz XOXCFSIWOGDVJR-AEGPPILISA-N 1 2 260.381 1.636 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2cnccc21 ZINC001032783882 681708917 /nfs/dbraw/zinc/70/89/17/681708917.db2.gz XACXNRHIXAJKKR-GJZGRUSLSA-N 1 2 291.354 1.767 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2cnccc21 ZINC001032783882 681708934 /nfs/dbraw/zinc/70/89/34/681708934.db2.gz XACXNRHIXAJKKR-GJZGRUSLSA-N 1 2 291.354 1.767 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1OCCC ZINC001032603018 681730334 /nfs/dbraw/zinc/73/03/34/681730334.db2.gz KYYQQIMTNHJEET-KBPBESRZSA-N 1 2 299.374 1.402 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1OCCC ZINC001032603018 681730343 /nfs/dbraw/zinc/73/03/43/681730343.db2.gz KYYQQIMTNHJEET-KBPBESRZSA-N 1 2 299.374 1.402 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+]([C@H](C)COC)C2)cc1 ZINC001030775638 681807033 /nfs/dbraw/zinc/80/70/33/681807033.db2.gz UQULBKIFEFVCRO-GFCCVEGCSA-N 1 2 272.348 1.117 20 30 CDEDLO CNC(=O)c1ccc(CO[NH+]=C(N)c2ccccc2)cc1 ZINC000191947717 681815704 /nfs/dbraw/zinc/81/57/04/681815704.db2.gz GBVZZVHISWFPCU-UHFFFAOYSA-N 1 2 283.331 1.883 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[C@@H]1CCCC[C@@H]1C ZINC000884134690 681824547 /nfs/dbraw/zinc/82/45/47/681824547.db2.gz ONXQXKAPMJURQW-IHRRRGAJSA-N 1 2 296.411 1.766 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC001030714700 681884218 /nfs/dbraw/zinc/88/42/18/681884218.db2.gz AMPRXHXMNKUYDL-LSDHHAIUSA-N 1 2 276.380 1.158 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2Cc3ccccc32)C1 ZINC001030878104 681887140 /nfs/dbraw/zinc/88/71/40/681887140.db2.gz IBRQAGXPSJBXDD-HNNXBMFYSA-N 1 2 256.349 1.703 20 30 CDEDLO C=CCOc1ccccc1C(=O)NC1C[NH+](CC)C1 ZINC001030541842 681898708 /nfs/dbraw/zinc/89/87/08/681898708.db2.gz AOOUFGWDXFFEBA-UHFFFAOYSA-N 1 2 260.337 1.685 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCO[C@@H]2C)C1 ZINC001042660049 681904751 /nfs/dbraw/zinc/90/47/51/681904751.db2.gz BTQIIUBNHDPSBC-DGCLKSJQSA-N 1 2 252.358 1.130 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2oc(C(C)C)nc2C)C1 ZINC000923559083 681942708 /nfs/dbraw/zinc/94/27/08/681942708.db2.gz DXBDTGBDZBAZIA-CYBMUJFWSA-N 1 2 289.379 1.934 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2oc(C(C)C)nc2C)C1 ZINC000923559083 681942712 /nfs/dbraw/zinc/94/27/12/681942712.db2.gz DXBDTGBDZBAZIA-CYBMUJFWSA-N 1 2 289.379 1.934 20 30 CDEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001014757782 681944164 /nfs/dbraw/zinc/94/41/64/681944164.db2.gz QKZDCYDMDOBDIH-VIFPVBQESA-N 1 2 282.775 1.616 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001014757782 681944172 /nfs/dbraw/zinc/94/41/72/681944172.db2.gz QKZDCYDMDOBDIH-VIFPVBQESA-N 1 2 282.775 1.616 20 30 CDEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@](C)(C(C)C)C1=O ZINC000182628191 682051332 /nfs/dbraw/zinc/05/13/32/682051332.db2.gz FDYGTYKDWYHESM-CYBMUJFWSA-N 1 2 253.346 1.418 20 30 CDEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@](C)(C(C)C)C1=O ZINC000182628191 682051340 /nfs/dbraw/zinc/05/13/40/682051340.db2.gz FDYGTYKDWYHESM-CYBMUJFWSA-N 1 2 253.346 1.418 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(CC)ccn1 ZINC001038280240 682079281 /nfs/dbraw/zinc/07/92/81/682079281.db2.gz KTIAKIPHGTZIOV-ZDUSSCGKSA-N 1 2 257.337 1.081 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(CC)ccn1 ZINC001038280240 682079292 /nfs/dbraw/zinc/07/92/92/682079292.db2.gz KTIAKIPHGTZIOV-ZDUSSCGKSA-N 1 2 257.337 1.081 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1CCCCC1 ZINC000884045889 682088191 /nfs/dbraw/zinc/08/81/91/682088191.db2.gz LGNZIAAERSYIQX-LBPRGKRZSA-N 1 2 268.357 1.130 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccnc(-n2cccn2)c1 ZINC000889499672 682090616 /nfs/dbraw/zinc/09/06/16/682090616.db2.gz FQIUPDHIYKQZPZ-AWEZNQCLSA-N 1 2 295.346 1.303 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccnc(-n2cccn2)c1 ZINC000889499672 682090624 /nfs/dbraw/zinc/09/06/24/682090624.db2.gz FQIUPDHIYKQZPZ-AWEZNQCLSA-N 1 2 295.346 1.303 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@](C)(CC)C1CC1 ZINC000884453194 682130894 /nfs/dbraw/zinc/13/08/94/682130894.db2.gz INCCHJGIHFIJCH-SMDDNHRTSA-N 1 2 268.357 1.128 20 30 CDEDLO N#CCN1CC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001038557323 682161402 /nfs/dbraw/zinc/16/14/02/682161402.db2.gz CLBVRBBYJDRIEX-HNNXBMFYSA-N 1 2 295.346 1.200 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(OC)cccc1OC ZINC001038962186 682191498 /nfs/dbraw/zinc/19/14/98/682191498.db2.gz UCLJLYZUPJVHAL-LBPRGKRZSA-N 1 2 288.347 1.141 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(OC)cccc1OC ZINC001038962186 682191500 /nfs/dbraw/zinc/19/15/00/682191500.db2.gz UCLJLYZUPJVHAL-LBPRGKRZSA-N 1 2 288.347 1.141 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925598003 682215251 /nfs/dbraw/zinc/21/52/51/682215251.db2.gz RYSIGVRPMNQMOT-LSDHHAIUSA-N 1 2 295.427 1.847 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3cnccc3n2)C1 ZINC001031009085 682244107 /nfs/dbraw/zinc/24/41/07/682244107.db2.gz IELLMORLSGJBEZ-UHFFFAOYSA-N 1 2 280.331 1.067 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1scnc1C ZINC001032292983 682250836 /nfs/dbraw/zinc/25/08/36/682250836.db2.gz RQXXFDJEIUBOAJ-RYUDHWBXSA-N 1 2 277.393 1.926 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1scnc1C ZINC001032292983 682250843 /nfs/dbraw/zinc/25/08/43/682250843.db2.gz RQXXFDJEIUBOAJ-RYUDHWBXSA-N 1 2 277.393 1.926 20 30 CDEDLO C=C(C)CN(CC)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000925575272 682273877 /nfs/dbraw/zinc/27/38/77/682273877.db2.gz ZANYPXDPYMSPBI-AWEZNQCLSA-N 1 2 283.416 1.705 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cncc1C ZINC001032522292 682312435 /nfs/dbraw/zinc/31/24/35/682312435.db2.gz XPSOAZQUBVHGMX-KBPBESRZSA-N 1 2 274.368 1.053 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cncc1C ZINC001032522292 682312442 /nfs/dbraw/zinc/31/24/42/682312442.db2.gz XPSOAZQUBVHGMX-KBPBESRZSA-N 1 2 274.368 1.053 20 30 CDEDLO C=CCC1(NC(=O)/C=C\C[NH+]2CCOCC2)CCOCC1 ZINC000869259439 682357774 /nfs/dbraw/zinc/35/77/74/682357774.db2.gz RRFBCKGWWPOTGH-ARJAWSKDSA-N 1 2 294.395 1.116 20 30 CDEDLO COc1ccc(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1C#N ZINC000880875043 682374195 /nfs/dbraw/zinc/37/41/95/682374195.db2.gz AWJVALDWVIBTTQ-NSHDSACASA-N 1 2 299.334 1.974 20 30 CDEDLO C#CC1(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CCCC1 ZINC000883337117 682383035 /nfs/dbraw/zinc/38/30/35/682383035.db2.gz ZEZMKFBMVHOIIH-ZIAGYGMSSA-N 1 2 293.411 1.341 20 30 CDEDLO C=CCn1cccc1C(=O)NC[C@@H]1COCC[N@H+]1CCC ZINC001050955892 682437612 /nfs/dbraw/zinc/43/76/12/682437612.db2.gz QKEAHKCMINAULG-CQSZACIVSA-N 1 2 291.395 1.515 20 30 CDEDLO C=CCn1cccc1C(=O)NC[C@@H]1COCC[N@@H+]1CCC ZINC001050955892 682437614 /nfs/dbraw/zinc/43/76/14/682437614.db2.gz QKEAHKCMINAULG-CQSZACIVSA-N 1 2 291.395 1.515 20 30 CDEDLO Cc1ccc(C[NH+]2CC(NC(=O)c3cc(C#N)c[nH]3)C2)cc1 ZINC001030192053 682442843 /nfs/dbraw/zinc/44/28/43/682442843.db2.gz LPLPLLIMKLEJPB-UHFFFAOYSA-N 1 2 294.358 1.809 20 30 CDEDLO C[C@H]1C[C@H]([NH2+]Cc2csnn2)CN1C(=O)C#CC1CC1 ZINC000988826992 682466386 /nfs/dbraw/zinc/46/63/86/682466386.db2.gz QLILLUVCXOJNTB-JQWIXIFHSA-N 1 2 290.392 1.031 20 30 CDEDLO CC(C)[C@H](C)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046069789 682469613 /nfs/dbraw/zinc/46/96/13/682469613.db2.gz IWQNDYORVMNNFT-LSDHHAIUSA-N 1 2 292.427 1.021 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc3[nH]c(C)nc3c2)C1 ZINC001042880534 682481756 /nfs/dbraw/zinc/48/17/56/682481756.db2.gz DUOIOCDHIQPDTB-UHFFFAOYSA-N 1 2 297.362 1.046 20 30 CDEDLO C#C[C@H]1CCCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000890649498 682485731 /nfs/dbraw/zinc/48/57/31/682485731.db2.gz CUILIBKMEAXYAY-ZDUSSCGKSA-N 1 2 280.331 1.895 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886793194 682486583 /nfs/dbraw/zinc/48/65/83/682486583.db2.gz DBIHJXJPWXBVAV-GHMZBOCLSA-N 1 2 275.274 1.677 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886793194 682486590 /nfs/dbraw/zinc/48/65/90/682486590.db2.gz DBIHJXJPWXBVAV-GHMZBOCLSA-N 1 2 275.274 1.677 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2nonc2C)C1 ZINC001009036430 682533838 /nfs/dbraw/zinc/53/38/38/682533838.db2.gz FRKNRQGLZNXPKB-NSHDSACASA-N 1 2 298.774 1.254 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2nonc2C)C1 ZINC001009036430 682533844 /nfs/dbraw/zinc/53/38/44/682533844.db2.gz FRKNRQGLZNXPKB-NSHDSACASA-N 1 2 298.774 1.254 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2C[C@@H](F)CC)cn1 ZINC001038931162 682554276 /nfs/dbraw/zinc/55/42/76/682554276.db2.gz HMHYLMVGKYNVLQ-DZGCQCFKSA-N 1 2 289.354 1.615 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C[C@@H](F)CC)cn1 ZINC001038931162 682554282 /nfs/dbraw/zinc/55/42/82/682554282.db2.gz HMHYLMVGKYNVLQ-DZGCQCFKSA-N 1 2 289.354 1.615 20 30 CDEDLO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C#CC2CC2)C1)c1csnn1 ZINC000968626913 682590975 /nfs/dbraw/zinc/59/09/75/682590975.db2.gz IFNOHDDKQDATQA-ZYHUDNBSSA-N 1 2 290.392 1.203 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)oc2C)C1 ZINC001035288947 682604747 /nfs/dbraw/zinc/60/47/47/682604747.db2.gz WENCHCAAPCUUAN-CYBMUJFWSA-N 1 2 278.352 1.513 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(C)oc2C)C1 ZINC001035288947 682604751 /nfs/dbraw/zinc/60/47/51/682604751.db2.gz WENCHCAAPCUUAN-CYBMUJFWSA-N 1 2 278.352 1.513 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001051145106 682609409 /nfs/dbraw/zinc/60/94/09/682609409.db2.gz GUASNIRSKZJTHZ-AWEZNQCLSA-N 1 2 291.395 1.638 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001051145106 682609413 /nfs/dbraw/zinc/60/94/13/682609413.db2.gz GUASNIRSKZJTHZ-AWEZNQCLSA-N 1 2 291.395 1.638 20 30 CDEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CC3CC3)C2)CC1 ZINC001051965605 682612836 /nfs/dbraw/zinc/61/28/36/682612836.db2.gz BXVVQRIXEWNITG-MRXNPFEDSA-N 1 2 289.423 1.028 20 30 CDEDLO N#CC1CC[NH+](CN2CCC3(CCOCC3)C2=O)CC1 ZINC000777526176 682616439 /nfs/dbraw/zinc/61/64/39/682616439.db2.gz HLMQJEIBYWQFNM-UHFFFAOYSA-N 1 2 277.368 1.209 20 30 CDEDLO C=CC[N@@H+](CN1C[C@H](CC)CC1=O)[C@@H](C)COC ZINC000853535511 682665237 /nfs/dbraw/zinc/66/52/37/682665237.db2.gz WMLQTRIZPPXMJM-QWHCGFSZSA-N 1 2 254.374 1.725 20 30 CDEDLO C=CC[N@H+](CN1C[C@H](CC)CC1=O)[C@@H](C)COC ZINC000853535511 682665241 /nfs/dbraw/zinc/66/52/41/682665241.db2.gz WMLQTRIZPPXMJM-QWHCGFSZSA-N 1 2 254.374 1.725 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001032404387 682678219 /nfs/dbraw/zinc/67/82/19/682678219.db2.gz FWYYHRYWVYOWOC-MELADBBJSA-N 1 2 298.390 1.138 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccncc1)CO2 ZINC001053720947 682688378 /nfs/dbraw/zinc/68/83/78/682688378.db2.gz JLGBWQLKARNOOT-AWEZNQCLSA-N 1 2 287.363 1.231 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@]2(C)CCOC2)C1 ZINC001044091994 682692430 /nfs/dbraw/zinc/69/24/30/682692430.db2.gz RMPOBVCMIFSYSY-AWEZNQCLSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnnc1C ZINC001017706711 682694319 /nfs/dbraw/zinc/69/43/19/682694319.db2.gz UXVDZQYGRDIVIA-BETUJISGSA-N 1 2 272.352 1.260 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnnc1C ZINC001017706711 682694321 /nfs/dbraw/zinc/69/43/21/682694321.db2.gz UXVDZQYGRDIVIA-BETUJISGSA-N 1 2 272.352 1.260 20 30 CDEDLO C[C@@H](C#N)OCC[NH+]1CCN(CCc2ccncc2)CC1 ZINC000931342494 682695914 /nfs/dbraw/zinc/69/59/14/682695914.db2.gz HBVPOOHDCQFQMT-HNNXBMFYSA-N 1 2 288.395 1.170 20 30 CDEDLO C=CCCS(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000178316797 682703357 /nfs/dbraw/zinc/70/33/57/682703357.db2.gz CAICPXGQLKYDAY-UHFFFAOYSA-N 1 2 291.376 1.868 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccn2C)C1 ZINC001032929623 682708685 /nfs/dbraw/zinc/70/86/85/682708685.db2.gz XDIBWIUFSCUUDR-LBPRGKRZSA-N 1 2 281.787 1.924 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccn2C)C1 ZINC001032929623 682708689 /nfs/dbraw/zinc/70/86/89/682708689.db2.gz XDIBWIUFSCUUDR-LBPRGKRZSA-N 1 2 281.787 1.924 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC1(F)F ZINC001017650254 682711150 /nfs/dbraw/zinc/71/11/50/682711150.db2.gz JQITVSJPTGFNRS-TUAOUCFPSA-N 1 2 268.307 1.340 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC1(F)F ZINC001017650254 682711153 /nfs/dbraw/zinc/71/11/53/682711153.db2.gz JQITVSJPTGFNRS-TUAOUCFPSA-N 1 2 268.307 1.340 20 30 CDEDLO C#CC[C@H](CO)Nc1nc(C)[nH+]c(C)c1Br ZINC000717733888 682730323 /nfs/dbraw/zinc/73/03/23/682730323.db2.gz SSFORZMQAGWRMT-SECBINFHSA-N 1 2 284.157 1.652 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccnn2C)[C@H]1C ZINC000993126473 682755564 /nfs/dbraw/zinc/75/55/64/682755564.db2.gz JXHZTGRAPCKXRM-VXGBXAGGSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccnn2C)[C@H]1C ZINC000993126473 682755569 /nfs/dbraw/zinc/75/55/69/682755569.db2.gz JXHZTGRAPCKXRM-VXGBXAGGSA-N 1 2 296.802 1.755 20 30 CDEDLO C#CCC1(C(=O)N[C@H](C)C[NH+]2CCOCC2)CCCCC1 ZINC000788159772 682790759 /nfs/dbraw/zinc/79/07/59/682790759.db2.gz UCQGZTCZDJFEOH-OAHLLOKOSA-N 1 2 292.423 1.797 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@](C)(CC)C1 ZINC000884141161 682797584 /nfs/dbraw/zinc/79/75/84/682797584.db2.gz RHSJGFDNUJUPGL-WFASDCNBSA-N 1 2 282.384 1.472 20 30 CDEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1nccs1 ZINC000852752031 682812955 /nfs/dbraw/zinc/81/29/55/682812955.db2.gz LZJMYYIZYCAVLJ-UHFFFAOYSA-N 1 2 267.354 1.053 20 30 CDEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1nccs1 ZINC000852752031 682812956 /nfs/dbraw/zinc/81/29/56/682812956.db2.gz LZJMYYIZYCAVLJ-UHFFFAOYSA-N 1 2 267.354 1.053 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C1 ZINC001044016967 682814728 /nfs/dbraw/zinc/81/47/28/682814728.db2.gz OLAGYKKOUXNIEV-IXDOHACOSA-N 1 2 282.387 1.901 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2c(C)noc2C)C1 ZINC001044283855 682830133 /nfs/dbraw/zinc/83/01/33/682830133.db2.gz CZPNWDWRRGNVCW-UHFFFAOYSA-N 1 2 277.368 1.553 20 30 CDEDLO C#CC[C@H]1CCN(C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000887753553 682842589 /nfs/dbraw/zinc/84/25/89/682842589.db2.gz IEKBRDYPXJKDOI-AWEZNQCLSA-N 1 2 286.379 1.938 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2CC[C@@H](C)O2)C1 ZINC001030896367 682843297 /nfs/dbraw/zinc/84/32/97/682843297.db2.gz VANIXQLPTBCPQT-DGCLKSJQSA-N 1 2 252.358 1.321 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccn2CC=C)C1 ZINC001042930676 682847984 /nfs/dbraw/zinc/84/79/84/682847984.db2.gz LPBBCHIACUMLLY-UHFFFAOYSA-N 1 2 271.364 1.454 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)C3CCC3)C2)C1 ZINC000972430174 682858226 /nfs/dbraw/zinc/85/82/26/682858226.db2.gz BIJWHDUJBRDYDC-YOEHRIQHSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)C3CCC3)C2)C1 ZINC000972430174 682858227 /nfs/dbraw/zinc/85/82/27/682858227.db2.gz BIJWHDUJBRDYDC-YOEHRIQHSA-N 1 2 290.407 1.359 20 30 CDEDLO CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000843424988 683051042 /nfs/dbraw/zinc/05/10/42/683051042.db2.gz CNUSCQLVAVQYSH-CYBMUJFWSA-N 1 2 282.775 1.486 20 30 CDEDLO CCc1nn(C)c(Cl)c1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000843424988 683051045 /nfs/dbraw/zinc/05/10/45/683051045.db2.gz CNUSCQLVAVQYSH-CYBMUJFWSA-N 1 2 282.775 1.486 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3oncc3C)cc2C1 ZINC001054288414 683053617 /nfs/dbraw/zinc/05/36/17/683053617.db2.gz WCWQCUVQSKQNLA-UHFFFAOYSA-N 1 2 295.342 1.862 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3oncc3C)cc2C1 ZINC001054288414 683053621 /nfs/dbraw/zinc/05/36/21/683053621.db2.gz WCWQCUVQSKQNLA-UHFFFAOYSA-N 1 2 295.342 1.862 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccc3n[nH]nc32)C1 ZINC001042774758 683065444 /nfs/dbraw/zinc/06/54/44/683065444.db2.gz SQQNVAJGDMBVLK-UHFFFAOYSA-N 1 2 285.351 1.290 20 30 CDEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)CC)C1 ZINC000970906038 683089621 /nfs/dbraw/zinc/08/96/21/683089621.db2.gz XUNGZJCGYRMXPZ-SNVBAGLBSA-N 1 2 275.190 1.838 20 30 CDEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)CC)C1 ZINC000970906038 683089626 /nfs/dbraw/zinc/08/96/26/683089626.db2.gz XUNGZJCGYRMXPZ-SNVBAGLBSA-N 1 2 275.190 1.838 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1sccc1F ZINC001038211745 683095840 /nfs/dbraw/zinc/09/58/40/683095840.db2.gz MDYPTOWXPIGRFF-SECBINFHSA-N 1 2 254.330 1.877 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1sccc1F ZINC001038211745 683095844 /nfs/dbraw/zinc/09/58/44/683095844.db2.gz MDYPTOWXPIGRFF-SECBINFHSA-N 1 2 254.330 1.877 20 30 CDEDLO C=CCC(F)(F)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000815874927 683107173 /nfs/dbraw/zinc/10/71/73/683107173.db2.gz YJUGXOFTEYRKQB-SNVBAGLBSA-N 1 2 269.295 1.947 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]12CCC[C@H]1OCC2 ZINC001017728279 683177615 /nfs/dbraw/zinc/17/76/15/683177615.db2.gz JZXVQBZPEHAEOF-DLTWYDFYSA-N 1 2 288.391 1.254 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]12CCC[C@H]1OCC2 ZINC001017728279 683177619 /nfs/dbraw/zinc/17/76/19/683177619.db2.gz JZXVQBZPEHAEOF-DLTWYDFYSA-N 1 2 288.391 1.254 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CS[C@H](C)C1 ZINC000839829111 683309404 /nfs/dbraw/zinc/30/94/04/683309404.db2.gz GNVRSPODKYMVHK-UTUOFQBUSA-N 1 2 252.383 1.094 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CS[C@H](C)C1 ZINC000839829111 683309408 /nfs/dbraw/zinc/30/94/08/683309408.db2.gz GNVRSPODKYMVHK-UTUOFQBUSA-N 1 2 252.383 1.094 20 30 CDEDLO COc1cccc(N=NCc2c[nH+]c3n2CCC3)n1 ZINC000853331193 683254253 /nfs/dbraw/zinc/25/42/53/683254253.db2.gz KJXWNAPEJZZDKA-UHFFFAOYSA-N 1 2 257.297 1.679 20 30 CDEDLO C#C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC000844146828 683276322 /nfs/dbraw/zinc/27/63/22/683276322.db2.gz QQHDHJCQKBNFNL-GDBMZVCRSA-N 1 2 279.343 1.936 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2c(C)cccn2c1 ZINC001038917773 683277250 /nfs/dbraw/zinc/27/72/50/683277250.db2.gz FIUCCWBNBWSPCG-HNNXBMFYSA-N 1 2 281.359 1.685 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c(C)cccn2c1 ZINC001038917773 683277260 /nfs/dbraw/zinc/27/72/60/683277260.db2.gz FIUCCWBNBWSPCG-HNNXBMFYSA-N 1 2 281.359 1.685 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2sc(C)cc2C)C1 ZINC001031326210 683361733 /nfs/dbraw/zinc/36/17/33/683361733.db2.gz OHJGQMWEUZALMC-UHFFFAOYSA-N 1 2 276.405 1.731 20 30 CDEDLO N#CCCNC(=O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000782300716 683326391 /nfs/dbraw/zinc/32/63/91/683326391.db2.gz KBPDMIUCIMZGNH-UHFFFAOYSA-N 1 2 258.325 1.076 20 30 CDEDLO N#CCCNC(=O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000782300716 683326398 /nfs/dbraw/zinc/32/63/98/683326398.db2.gz KBPDMIUCIMZGNH-UHFFFAOYSA-N 1 2 258.325 1.076 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029422520 683350394 /nfs/dbraw/zinc/35/03/94/683350394.db2.gz MXBWKTNGTKRPQN-TXEJJXNPSA-N 1 2 254.349 1.843 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029422520 683350400 /nfs/dbraw/zinc/35/04/00/683350400.db2.gz MXBWKTNGTKRPQN-TXEJJXNPSA-N 1 2 254.349 1.843 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(NC(C)=O)cc1 ZINC001038961922 683424476 /nfs/dbraw/zinc/42/44/76/683424476.db2.gz ZTQOMVHRENSUSM-INIZCTEOSA-N 1 2 299.374 1.472 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(NC(C)=O)cc1 ZINC001038961922 683424490 /nfs/dbraw/zinc/42/44/90/683424490.db2.gz ZTQOMVHRENSUSM-INIZCTEOSA-N 1 2 299.374 1.472 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC(OC)C2)C1 ZINC001014857472 683455120 /nfs/dbraw/zinc/45/51/20/683455120.db2.gz VRJGMVRILFTBOA-MOENNCHZSA-N 1 2 272.776 1.354 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC(OC)C2)C1 ZINC001014857472 683455123 /nfs/dbraw/zinc/45/51/23/683455123.db2.gz VRJGMVRILFTBOA-MOENNCHZSA-N 1 2 272.776 1.354 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC(C)(C)C1 ZINC001032583767 683464314 /nfs/dbraw/zinc/46/43/14/683464314.db2.gz CNLMHDGZLPYDDI-KBPBESRZSA-N 1 2 260.381 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC(C)(C)C1 ZINC001032583767 683464346 /nfs/dbraw/zinc/46/43/46/683464346.db2.gz CNLMHDGZLPYDDI-KBPBESRZSA-N 1 2 260.381 1.731 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)cc2ccncc21 ZINC001038256636 683476016 /nfs/dbraw/zinc/47/60/16/683476016.db2.gz GYOJXTNMVSCYGA-CQSZACIVSA-N 1 2 297.333 1.811 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)cc2ccncc21 ZINC001038256636 683476028 /nfs/dbraw/zinc/47/60/28/683476028.db2.gz GYOJXTNMVSCYGA-CQSZACIVSA-N 1 2 297.333 1.811 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)on1 ZINC001017334733 683523756 /nfs/dbraw/zinc/52/37/56/683523756.db2.gz IWVFIHRHVCNSDE-BETUJISGSA-N 1 2 273.336 1.295 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)on1 ZINC001017334733 683523764 /nfs/dbraw/zinc/52/37/64/683523764.db2.gz IWVFIHRHVCNSDE-BETUJISGSA-N 1 2 273.336 1.295 20 30 CDEDLO CC[NH+](CC)Cc1csc(NC(=O)C=NOC)n1 ZINC000809622388 683563943 /nfs/dbraw/zinc/56/39/43/683563943.db2.gz ZYNDTQDSGJTJBN-UHFFFAOYSA-N 1 2 270.358 1.556 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C#Cc1ccccc1 ZINC000855411127 683626912 /nfs/dbraw/zinc/62/69/12/683626912.db2.gz NUKGODOHZDNHBY-CABCVRRESA-N 1 2 286.375 1.264 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C#Cc1ccccc1 ZINC000855411127 683626916 /nfs/dbraw/zinc/62/69/16/683626916.db2.gz NUKGODOHZDNHBY-CABCVRRESA-N 1 2 286.375 1.264 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)N2CCC(CC#N)CC2)CCO1 ZINC000781933734 683706084 /nfs/dbraw/zinc/70/60/84/683706084.db2.gz KLBIKRFZJGDRGN-ZDUSSCGKSA-N 1 2 294.399 1.042 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)N2CCC(CC#N)CC2)CCO1 ZINC000781933734 683706094 /nfs/dbraw/zinc/70/60/94/683706094.db2.gz KLBIKRFZJGDRGN-ZDUSSCGKSA-N 1 2 294.399 1.042 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2coc(=O)c3ccccc23)C1 ZINC001043506326 683709511 /nfs/dbraw/zinc/70/95/11/683709511.db2.gz XBCDPUQVMZMISM-UHFFFAOYSA-N 1 2 298.342 1.735 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2sc(C)cc2C)C1 ZINC001035381670 683714519 /nfs/dbraw/zinc/71/45/19/683714519.db2.gz RXVGHCOTTLSXHA-ZDUSSCGKSA-N 1 2 294.420 1.982 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2sc(C)cc2C)C1 ZINC001035381670 683714527 /nfs/dbraw/zinc/71/45/27/683714527.db2.gz RXVGHCOTTLSXHA-ZDUSSCGKSA-N 1 2 294.420 1.982 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCO[C@H](C)C2)C1 ZINC001031153594 683732991 /nfs/dbraw/zinc/73/29/91/683732991.db2.gz RRYMXUCYPMABAM-NEPJUHHUSA-N 1 2 252.358 1.178 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1 ZINC001017301174 683733073 /nfs/dbraw/zinc/73/30/73/683733073.db2.gz FOYYAIMUYJAPJH-GASCZTMLSA-N 1 2 269.348 1.394 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1 ZINC001017301174 683733082 /nfs/dbraw/zinc/73/30/82/683733082.db2.gz FOYYAIMUYJAPJH-GASCZTMLSA-N 1 2 269.348 1.394 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000884071168 683733218 /nfs/dbraw/zinc/73/32/18/683733218.db2.gz LEKLKLDJBBFSDC-HZSPNIEDSA-N 1 2 288.347 1.105 20 30 CDEDLO C#CC1(NC(=O)NCC(C)(C)[NH+]2CCOCC2)CCCC1 ZINC000883056429 683738555 /nfs/dbraw/zinc/73/85/55/683738555.db2.gz LEHNQIPFICZVBD-UHFFFAOYSA-N 1 2 293.411 1.342 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)n([C@@H](C)CC)n1 ZINC001038437201 683749597 /nfs/dbraw/zinc/74/95/97/683749597.db2.gz UMBOMUPNBREWHL-JSGCOSHPSA-N 1 2 288.395 1.600 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)n([C@@H](C)CC)n1 ZINC001038437201 683749605 /nfs/dbraw/zinc/74/96/05/683749605.db2.gz UMBOMUPNBREWHL-JSGCOSHPSA-N 1 2 288.395 1.600 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]1OC ZINC001017678578 683756646 /nfs/dbraw/zinc/75/66/46/683756646.db2.gz XKFBDJANUJTBAS-XGUBFFRZSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]1OC ZINC001017678578 683756652 /nfs/dbraw/zinc/75/66/52/683756652.db2.gz XKFBDJANUJTBAS-XGUBFFRZSA-N 1 2 276.380 1.110 20 30 CDEDLO C=CCC1(O)CC[NH+](CC(=O)OCCCC)CC1 ZINC000717247317 683760749 /nfs/dbraw/zinc/76/07/49/683760749.db2.gz WCXKAJVZJPOYHK-UHFFFAOYSA-N 1 2 255.358 1.733 20 30 CDEDLO COC(=O)CCCO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000844763858 683790614 /nfs/dbraw/zinc/79/06/14/683790614.db2.gz QKMADSGLHSTHCH-UHFFFAOYSA-N 1 2 268.288 1.724 20 30 CDEDLO C#CC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)CC1(C)C ZINC000995850808 683801874 /nfs/dbraw/zinc/80/18/74/683801874.db2.gz VLBAHGKZCROULP-RKDXNWHRSA-N 1 2 280.265 1.347 20 30 CDEDLO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)CC1(C)C ZINC000995850808 683801875 /nfs/dbraw/zinc/80/18/75/683801875.db2.gz VLBAHGKZCROULP-RKDXNWHRSA-N 1 2 280.265 1.347 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C(C)(C)[C@H]2CCCCO2)C1 ZINC001030327353 683808964 /nfs/dbraw/zinc/80/89/64/683808964.db2.gz VQSIYWFFQFRUHA-CQSZACIVSA-N 1 2 278.396 1.405 20 30 CDEDLO C#Cc1ccc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000934922671 683812913 /nfs/dbraw/zinc/81/29/13/683812913.db2.gz MEYYQGYFZNRUJI-INIZCTEOSA-N 1 2 299.374 1.606 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2CC[C@@H](C3CC3)O2)nn1 ZINC000887470508 683814974 /nfs/dbraw/zinc/81/49/74/683814974.db2.gz QVPSIYDISXFXRA-GJZGRUSLSA-N 1 2 274.368 1.349 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c[nH]c3ncccc23)C1 ZINC001031406262 683819442 /nfs/dbraw/zinc/81/94/42/683819442.db2.gz DEOGAMOXLUDTNS-UHFFFAOYSA-N 1 2 270.336 1.553 20 30 CDEDLO Cn1cc[nH+]c1CCCOC(=O)COc1cccc(C#N)c1 ZINC000802788371 683823374 /nfs/dbraw/zinc/82/33/74/683823374.db2.gz WXGGDRXWAFFJMD-UHFFFAOYSA-N 1 2 299.330 1.847 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccncc2C)C1 ZINC001014444000 683835175 /nfs/dbraw/zinc/83/51/75/683835175.db2.gz OZTOFOFWDGIXNU-AWEZNQCLSA-N 1 2 293.798 1.876 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccncc2C)C1 ZINC001014444000 683835176 /nfs/dbraw/zinc/83/51/76/683835176.db2.gz OZTOFOFWDGIXNU-AWEZNQCLSA-N 1 2 293.798 1.876 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(N2CC=CC2)c1 ZINC001038755396 683848282 /nfs/dbraw/zinc/84/82/82/683848282.db2.gz XNQKUOWSKIQNLE-KRWDZBQOSA-N 1 2 295.386 1.500 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(N2CC=CC2)c1 ZINC001038755396 683848283 /nfs/dbraw/zinc/84/82/83/683848283.db2.gz XNQKUOWSKIQNLE-KRWDZBQOSA-N 1 2 295.386 1.500 20 30 CDEDLO C[C@H](C#N)OCC[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000801941737 683862951 /nfs/dbraw/zinc/86/29/51/683862951.db2.gz VLGYKABTDHUHDY-ZJUUUORDSA-N 1 2 266.345 1.946 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[C@H]3C[C@H]3C1)CCO2 ZINC001053389302 683863528 /nfs/dbraw/zinc/86/35/28/683863528.db2.gz KFRKYSZJPZCTTQ-FICVDOATSA-N 1 2 290.407 1.522 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(Cl)ccc2F)C1 ZINC001030639583 683872557 /nfs/dbraw/zinc/87/25/57/683872557.db2.gz NOQUJQOLRPJIFA-UHFFFAOYSA-N 1 2 280.730 1.916 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ncccc2C)C1 ZINC001042593688 683885534 /nfs/dbraw/zinc/88/55/34/683885534.db2.gz YMRNRYKGPYXCMR-UHFFFAOYSA-N 1 2 259.353 1.722 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2cnsn2)C(C)(C)C1 ZINC000995548711 683922185 /nfs/dbraw/zinc/92/21/85/683922185.db2.gz SDNJQJIJKXIXJD-GXSJLCMTSA-N 1 2 293.396 1.024 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001043946910 683948867 /nfs/dbraw/zinc/94/88/67/683948867.db2.gz VDCJFOAGMFBXPX-JKSUJKDBSA-N 1 2 285.391 1.904 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c([nH]1)CCC2 ZINC001032726026 683955189 /nfs/dbraw/zinc/95/51/89/683955189.db2.gz DZXHZDKSRKXBDF-STQMWFEESA-N 1 2 269.348 1.035 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c([nH]1)CCC2 ZINC001032726026 683955194 /nfs/dbraw/zinc/95/51/94/683955194.db2.gz DZXHZDKSRKXBDF-STQMWFEESA-N 1 2 269.348 1.035 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccnn2C)C1 ZINC001046183337 683961057 /nfs/dbraw/zinc/96/10/57/683961057.db2.gz OXIUMFKSRFRDCI-CYBMUJFWSA-N 1 2 282.775 1.367 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccnn2C)C1 ZINC001046183337 683961064 /nfs/dbraw/zinc/96/10/64/683961064.db2.gz OXIUMFKSRFRDCI-CYBMUJFWSA-N 1 2 282.775 1.367 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1O ZINC001050825334 683985169 /nfs/dbraw/zinc/98/51/69/683985169.db2.gz QMBBZMAVJOXMGZ-ZDUSSCGKSA-N 1 2 290.363 1.399 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1O ZINC001050825334 683985176 /nfs/dbraw/zinc/98/51/76/683985176.db2.gz QMBBZMAVJOXMGZ-ZDUSSCGKSA-N 1 2 290.363 1.399 20 30 CDEDLO Cc1nc(N[C@@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001069089194 683991167 /nfs/dbraw/zinc/99/11/67/683991167.db2.gz BFOUWAABNVJQGP-BXUZGUMPSA-N 1 2 284.363 1.600 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCO[C@H]2CC)C1 ZINC001030424469 684001440 /nfs/dbraw/zinc/00/14/40/684001440.db2.gz SJZIGLKQTFBRRY-KGLIPLIRSA-N 1 2 264.369 1.015 20 30 CDEDLO CN1CCc2cc(C=[NH+]Nc3cnnn3C)ccc21 ZINC000814981384 684019786 /nfs/dbraw/zinc/01/97/86/684019786.db2.gz FSSBFOOVDDPKSF-UHFFFAOYSA-N 1 2 256.313 1.253 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2CCOC[C@H]2OCC)C1 ZINC001030693578 684054046 /nfs/dbraw/zinc/05/40/46/684054046.db2.gz PLCMJXOHLPKODI-UKRRQHHQSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CCOCCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845284512 684063434 /nfs/dbraw/zinc/06/34/34/684063434.db2.gz MWFHPBRPOAQMGD-LBPRGKRZSA-N 1 2 252.314 1.970 20 30 CDEDLO O=C(C#Cc1ccccc1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000854729207 684065359 /nfs/dbraw/zinc/06/53/59/684065359.db2.gz VKEOEUSVNGTTBT-KRWDZBQOSA-N 1 2 298.386 1.361 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(OCC#N)cc1 ZINC000847431029 684068486 /nfs/dbraw/zinc/06/84/86/684068486.db2.gz QQHRHYOVULWDIZ-GFCCVEGCSA-N 1 2 298.346 1.807 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(OCC#N)cc1 ZINC000847431029 684068491 /nfs/dbraw/zinc/06/84/91/684068491.db2.gz QQHRHYOVULWDIZ-GFCCVEGCSA-N 1 2 298.346 1.807 20 30 CDEDLO C=C[C@H](NCc1[nH+]cc(C)c(OC)c1C)C(=O)OC ZINC000799978135 684069760 /nfs/dbraw/zinc/06/97/60/684069760.db2.gz XJWAOEAZSZTUOA-NSHDSACASA-N 1 2 264.325 1.524 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(OC)n1 ZINC001032711073 684074292 /nfs/dbraw/zinc/07/42/92/684074292.db2.gz GWQNFNAXABDXTK-STQMWFEESA-N 1 2 285.347 1.012 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(OC)n1 ZINC001032711073 684074294 /nfs/dbraw/zinc/07/42/94/684074294.db2.gz GWQNFNAXABDXTK-STQMWFEESA-N 1 2 285.347 1.012 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(OC)c1F ZINC001038832957 684098248 /nfs/dbraw/zinc/09/82/48/684098248.db2.gz GAWOSIRRFCCUDN-LBPRGKRZSA-N 1 2 290.338 1.662 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(OC)c1F ZINC001038832957 684098249 /nfs/dbraw/zinc/09/82/49/684098249.db2.gz GAWOSIRRFCCUDN-LBPRGKRZSA-N 1 2 290.338 1.662 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21 ZINC001049998339 684101808 /nfs/dbraw/zinc/10/18/08/684101808.db2.gz DYCNHAYRSHFCJH-MELADBBJSA-N 1 2 299.378 1.059 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21 ZINC001049998339 684101812 /nfs/dbraw/zinc/10/18/12/684101812.db2.gz DYCNHAYRSHFCJH-MELADBBJSA-N 1 2 299.378 1.059 20 30 CDEDLO CC(C)C#CC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874889788 684122929 /nfs/dbraw/zinc/12/29/29/684122929.db2.gz MWMVGOYYJRITBU-HNNXBMFYSA-N 1 2 274.339 1.958 20 30 CDEDLO C[C@H](CC(=O)O[C@@H](C)C(=O)N(C)CCC#N)n1cc[nH+]c1 ZINC000845279294 684152015 /nfs/dbraw/zinc/15/20/15/684152015.db2.gz YRVRCSQOUYGVKK-NEPJUHHUSA-N 1 2 292.339 1.138 20 30 CDEDLO C#CCCS(=O)(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000279486835 684175093 /nfs/dbraw/zinc/17/50/93/684175093.db2.gz OWWHLPDUQQENGG-HNNXBMFYSA-N 1 2 292.404 1.328 20 30 CDEDLO C#CCCS(=O)(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000279486835 684175095 /nfs/dbraw/zinc/17/50/95/684175095.db2.gz OWWHLPDUQQENGG-HNNXBMFYSA-N 1 2 292.404 1.328 20 30 CDEDLO C#C[C@H](C)NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000820436776 684182708 /nfs/dbraw/zinc/18/27/08/684182708.db2.gz ZTLCHIAZHUUWCL-NSHDSACASA-N 1 2 275.352 1.870 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccco1 ZINC001017934233 684214074 /nfs/dbraw/zinc/21/40/74/684214074.db2.gz FLHROTWPGNZRDQ-MELADBBJSA-N 1 2 272.348 1.692 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccco1 ZINC001017934233 684214080 /nfs/dbraw/zinc/21/40/80/684214080.db2.gz FLHROTWPGNZRDQ-MELADBBJSA-N 1 2 272.348 1.692 20 30 CDEDLO CC(C)(C)c1cn(CC(=O)N(CCC#N)CCC#N)c[nH+]1 ZINC000865375150 684215098 /nfs/dbraw/zinc/21/50/98/684215098.db2.gz QOROTBKUYYVMOD-UHFFFAOYSA-N 1 2 287.367 1.837 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](CF)C2)nc1 ZINC000880300610 684222716 /nfs/dbraw/zinc/22/27/16/684222716.db2.gz VACOHJUTUQLLDB-LLVKDONJSA-N 1 2 297.355 1.018 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](CF)C2)nc1 ZINC000880300610 684222718 /nfs/dbraw/zinc/22/27/18/684222718.db2.gz VACOHJUTUQLLDB-LLVKDONJSA-N 1 2 297.355 1.018 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2c[nH]c3cccc(C)c23)C1 ZINC001031268482 684299992 /nfs/dbraw/zinc/29/99/92/684299992.db2.gz LCAKDXANQLEGBN-UHFFFAOYSA-N 1 2 295.386 1.843 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CCOCC1 ZINC001018355247 684303298 /nfs/dbraw/zinc/30/32/98/684303298.db2.gz YJAZBGYJAHMCJZ-CWRNSKLLSA-N 1 2 290.407 1.358 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CCOCC1 ZINC001018355247 684303304 /nfs/dbraw/zinc/30/33/04/684303304.db2.gz YJAZBGYJAHMCJZ-CWRNSKLLSA-N 1 2 290.407 1.358 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc2n[nH]nc21 ZINC001085612943 1161948177 /nfs/dbraw/zinc/94/81/77/1161948177.db2.gz DRRMBXYGASNMRN-NSHDSACASA-N 1 2 285.351 1.290 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc2n[nH]nc21 ZINC001085612943 1161948182 /nfs/dbraw/zinc/94/81/82/1161948182.db2.gz DRRMBXYGASNMRN-NSHDSACASA-N 1 2 285.351 1.290 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc2nn[nH]c21 ZINC001085612943 1161948187 /nfs/dbraw/zinc/94/81/87/1161948187.db2.gz DRRMBXYGASNMRN-NSHDSACASA-N 1 2 285.351 1.290 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc2nn[nH]c21 ZINC001085612943 1161948192 /nfs/dbraw/zinc/94/81/92/1161948192.db2.gz DRRMBXYGASNMRN-NSHDSACASA-N 1 2 285.351 1.290 20 30 CDEDLO Cc1nc(N[C@H](C)[C@@H](C)NC(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001112994411 1162062663 /nfs/dbraw/zinc/06/26/63/1162062663.db2.gz WLXRMOQDJBAABC-NXEZZACHSA-N 1 2 298.350 1.604 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2cnsn2)cc1 ZINC001132215774 1163200906 /nfs/dbraw/zinc/20/09/06/1163200906.db2.gz KRWOJTFBUQJPFC-UHFFFAOYSA-N 1 2 286.360 1.039 20 30 CDEDLO CN(C)C(=O)C[N@H+](C)Cc1ccc(Cl)c(C#N)c1 ZINC001238195053 1167402013 /nfs/dbraw/zinc/40/20/13/1167402013.db2.gz ZJYQVBBQGPWRFJ-UHFFFAOYSA-N 1 2 265.744 1.732 20 30 CDEDLO CN(C)C(=O)C[N@@H+](C)Cc1ccc(Cl)c(C#N)c1 ZINC001238195053 1167402018 /nfs/dbraw/zinc/40/20/18/1167402018.db2.gz ZJYQVBBQGPWRFJ-UHFFFAOYSA-N 1 2 265.744 1.732 20 30 CDEDLO C#C[C@H]1CCCCN1c1[nH+]c(C)cc(C)c1-c1nn[nH]n1 ZINC001588332164 1173034838 /nfs/dbraw/zinc/03/48/38/1173034838.db2.gz GWZDMKYBSWLIBW-LBPRGKRZSA-N 1 2 282.351 1.871 20 30 CDEDLO Nc1ccc(C=[NH+]Nc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC001592759171 1173987316 /nfs/dbraw/zinc/98/73/16/1173987316.db2.gz GMOQFUUEOZHXKQ-UHFFFAOYSA-N 1 2 280.295 1.290 20 30 CDEDLO CC(C)(CC#N)CNC(=O)N1CCn2c[nH+]cc2C1 ZINC001686738105 1174773269 /nfs/dbraw/zinc/77/32/69/1174773269.db2.gz IDUWITSTQVJXTJ-UHFFFAOYSA-N 1 2 261.329 1.348 20 30 CDEDLO C=CCOCC(=O)NC1C[NH+](Cc2ccccc2CC)C1 ZINC001753373015 1184473636 /nfs/dbraw/zinc/47/36/36/1184473636.db2.gz JAOVCQJCBABENT-UHFFFAOYSA-N 1 2 288.391 1.752 20 30 CDEDLO C#CCN1CC[NH+](CCNC(=O)[C@@H](CC)CC(C)C)CC1 ZINC001752374979 1184856987 /nfs/dbraw/zinc/85/69/87/1184856987.db2.gz FIQXWZZVPOXYIA-INIZCTEOSA-N 1 2 293.455 1.426 20 30 CDEDLO C#CCCCC(=O)NCC[N@@H+](C)Cc1conc1CC ZINC001753047227 1185016190 /nfs/dbraw/zinc/01/61/90/1185016190.db2.gz BVFGUEWXGIEZGW-UHFFFAOYSA-N 1 2 277.368 1.589 20 30 CDEDLO C#CCCCC(=O)NCC[N@H+](C)Cc1conc1CC ZINC001753047227 1185016194 /nfs/dbraw/zinc/01/61/94/1185016194.db2.gz BVFGUEWXGIEZGW-UHFFFAOYSA-N 1 2 277.368 1.589 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc[nH]c1)C1CC1 ZINC001753154768 1185090994 /nfs/dbraw/zinc/09/09/94/1185090994.db2.gz PRFFYYFZXIQJOU-UHFFFAOYSA-N 1 2 267.760 1.961 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc[nH]c1)C1CC1 ZINC001753154768 1185090996 /nfs/dbraw/zinc/09/09/96/1185090996.db2.gz PRFFYYFZXIQJOU-UHFFFAOYSA-N 1 2 267.760 1.961 20 30 CDEDLO C=CC(C)(C)CC(=O)N(CCC)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001753316873 1185150057 /nfs/dbraw/zinc/15/00/57/1185150057.db2.gz CESVDGCIOPAAHL-ZDUSSCGKSA-N 1 2 295.427 1.387 20 30 CDEDLO C=CC(C)(C)CC(=O)N(CCC)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001753316873 1185150061 /nfs/dbraw/zinc/15/00/61/1185150061.db2.gz CESVDGCIOPAAHL-ZDUSSCGKSA-N 1 2 295.427 1.387 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)CC2(c3ccccc3)CC2)C1 ZINC001753378341 1185177714 /nfs/dbraw/zinc/17/77/14/1185177714.db2.gz FHXHEDXHGQOKRO-UHFFFAOYSA-N 1 2 282.387 1.932 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C2(C)CCCC2)C1 ZINC001753650817 1185287018 /nfs/dbraw/zinc/28/70/18/1185287018.db2.gz AKNHPLBJDLAGDQ-CQSZACIVSA-N 1 2 280.412 1.960 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C2(C)CCCC2)C1 ZINC001753650817 1185287025 /nfs/dbraw/zinc/28/70/25/1185287025.db2.gz AKNHPLBJDLAGDQ-CQSZACIVSA-N 1 2 280.412 1.960 20 30 CDEDLO C#CCCCC(=O)N(CC)CC[NH2+][C@H](C)c1csnn1 ZINC001754041718 1185438071 /nfs/dbraw/zinc/43/80/71/1185438071.db2.gz AYOXPXDKLHOWAU-GFCCVEGCSA-N 1 2 294.424 1.841 20 30 CDEDLO C=C(C)CCC(=O)NC/C=C/C[NH2+]Cc1nnc(C)s1 ZINC001754125071 1185474871 /nfs/dbraw/zinc/47/48/71/1185474871.db2.gz AQPCIYJLSMHZBH-SNAWJCMRSA-N 1 2 294.424 1.965 20 30 CDEDLO C=CCCCC(=O)N[C@H](C)C[NH2+]Cc1cnsn1 ZINC001754240463 1185525448 /nfs/dbraw/zinc/52/54/48/1185525448.db2.gz SFJRYRPTJDILTD-SNVBAGLBSA-N 1 2 268.386 1.489 20 30 CDEDLO Cc1cn(C(C)(C)C(=O)N2CCC[C@H]2CNCC#N)c[nH+]1 ZINC001754612195 1185683746 /nfs/dbraw/zinc/68/37/46/1185683746.db2.gz KPLVAEWGSYRUAL-ZDUSSCGKSA-N 1 2 289.383 1.031 20 30 CDEDLO C=CCCC(=O)NC[C@@]1(O)CC[N@H+](Cc2nccs2)C1 ZINC001754745997 1185719988 /nfs/dbraw/zinc/71/99/88/1185719988.db2.gz KVQRBFOOROKOAD-AWEZNQCLSA-N 1 2 295.408 1.162 20 30 CDEDLO C=CCCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2nccs2)C1 ZINC001754745997 1185719991 /nfs/dbraw/zinc/71/99/91/1185719991.db2.gz KVQRBFOOROKOAD-AWEZNQCLSA-N 1 2 295.408 1.162 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H](C)COC)CO2 ZINC001755065774 1185805647 /nfs/dbraw/zinc/80/56/47/1185805647.db2.gz RKTNMNXWGPDUPW-UONOGXRCSA-N 1 2 296.411 1.195 20 30 CDEDLO C[C@H](C#N)S(=O)(=O)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001193140337 1164387945 /nfs/dbraw/zinc/38/79/45/1164387945.db2.gz WEUVBIZCMDAGKM-DGCLKSJQSA-N 1 2 295.364 1.167 20 30 CDEDLO C=CC[NH+]1CCN(c2nc(C)nc(Cl)c2OC)CC1 ZINC001165031448 721866785 /nfs/dbraw/zinc/86/67/85/721866785.db2.gz JZFYPBVYDAQPKO-UHFFFAOYSA-N 1 2 282.775 1.755 20 30 CDEDLO NC(Cc1ccccc1)=[NH+]OCc1nc(C2CC2)no1 ZINC000123358108 1165221852 /nfs/dbraw/zinc/22/18/52/1165221852.db2.gz ICTKAWFGSQTTHV-UHFFFAOYSA-N 1 2 272.308 1.979 20 30 CDEDLO CCOC(=O)[C@@H]1CC12CCC([NH+]1CC(C#N)C1)CC2 ZINC001173614268 912624172 /nfs/dbraw/zinc/62/41/72/912624172.db2.gz RXSSQRBLRQWAHR-OWYJLGKBSA-N 1 2 262.353 1.954 20 30 CDEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cocn1)CC2 ZINC001272374535 912969211 /nfs/dbraw/zinc/96/92/11/912969211.db2.gz FIFCWPNFUGZPCZ-ZDUSSCGKSA-N 1 2 275.352 1.579 20 30 CDEDLO CC#CC[NH2+]C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001106155327 913442574 /nfs/dbraw/zinc/44/25/74/913442574.db2.gz SBFQGRIIIJCWPC-GMTAPVOTSA-N 1 2 294.292 1.594 20 30 CDEDLO CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C ZINC001106155327 913442581 /nfs/dbraw/zinc/44/25/81/913442581.db2.gz SBFQGRIIIJCWPC-GMTAPVOTSA-N 1 2 294.292 1.594 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2cc(F)ccn2)CC1 ZINC001175424272 913601221 /nfs/dbraw/zinc/60/12/21/913601221.db2.gz UMFYORMHPNRUFH-UHFFFAOYSA-N 1 2 277.343 1.484 20 30 CDEDLO Cc1nc(N(C)CCN(C(=O)[C@H](C)C#N)C(C)C)cc[nH+]1 ZINC001125435526 895476929 /nfs/dbraw/zinc/47/69/29/895476929.db2.gz GPEZGTRBLDYZPG-GFCCVEGCSA-N 1 2 289.383 1.618 20 30 CDEDLO CC(C)(C#N)C(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001143398312 896132291 /nfs/dbraw/zinc/13/22/91/896132291.db2.gz IIBZSVXNGHWGFA-UHFFFAOYSA-N 1 2 286.379 1.318 20 30 CDEDLO Cc1cc(C)c(CNC(=O)NCc2ccc(C#N)cn2)c[nH+]1 ZINC001414655800 914168978 /nfs/dbraw/zinc/16/89/78/914168978.db2.gz XQHQRCPSNOQTSI-UHFFFAOYSA-N 1 2 295.346 1.965 20 30 CDEDLO Cc1nc(NC[C@@H](NC(=O)[C@H](C)C#N)C(C)(C)C)cc[nH+]1 ZINC001125821851 898492945 /nfs/dbraw/zinc/49/29/45/898492945.db2.gz LIDCVUDYQZTPBL-ZYHUDNBSSA-N 1 2 289.383 1.888 20 30 CDEDLO N#Cc1ccc(NC(=O)CCn2cc[nH+]c2)c(C#N)c1 ZINC001176878821 914332421 /nfs/dbraw/zinc/33/24/21/914332421.db2.gz MPIUVTBCUXUFKS-UHFFFAOYSA-N 1 2 265.276 1.655 20 30 CDEDLO Cc1nc(N(C)CCCN(C)C(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001112062059 899658383 /nfs/dbraw/zinc/65/83/83/899658383.db2.gz YTQNPXYSUWQWNY-NSHDSACASA-N 1 2 275.356 1.229 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](C)n2cccn2)C1 ZINC001481614878 901468760 /nfs/dbraw/zinc/46/87/60/901468760.db2.gz GTUUIKIABNLNBM-NSHDSACASA-N 1 2 282.775 1.245 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccccc2N(C)C)C1 ZINC001031474905 914663121 /nfs/dbraw/zinc/66/31/21/914663121.db2.gz VFYFIOSZOSQTNM-UHFFFAOYSA-N 1 2 273.380 1.743 20 30 CDEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](C)CC)c2C1 ZINC001128203380 921181569 /nfs/dbraw/zinc/18/15/69/921181569.db2.gz WIEWLPYALDSASO-CYBMUJFWSA-N 1 2 290.411 1.937 20 30 CDEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H](C)CC)c2C1 ZINC001128203380 921181573 /nfs/dbraw/zinc/18/15/73/921181573.db2.gz WIEWLPYALDSASO-CYBMUJFWSA-N 1 2 290.411 1.937 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@@H](C)COC ZINC001482639812 908098445 /nfs/dbraw/zinc/09/84/45/908098445.db2.gz VZINKMVXGWASST-LLVKDONJSA-N 1 2 276.808 1.802 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@@H](C)COC ZINC001482639812 908098462 /nfs/dbraw/zinc/09/84/62/908098462.db2.gz VZINKMVXGWASST-LLVKDONJSA-N 1 2 276.808 1.802 20 30 CDEDLO CC(C)[NH+]1CC(Nc2nc(Cl)nc(Cl)c2C#N)C1 ZINC001168311550 908973455 /nfs/dbraw/zinc/97/34/55/908973455.db2.gz ANTKGAQNQJEZLZ-UHFFFAOYSA-N 1 2 286.166 1.581 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2coc3c2cccc3C)[C@@H](O)C1 ZINC001083526900 909685158 /nfs/dbraw/zinc/68/51/58/909685158.db2.gz PWXJWUKFIMJLDD-CABCVRRESA-N 1 2 298.342 1.149 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2coc3c2cccc3C)[C@@H](O)C1 ZINC001083526900 909685174 /nfs/dbraw/zinc/68/51/74/909685174.db2.gz PWXJWUKFIMJLDD-CABCVRRESA-N 1 2 298.342 1.149 20 30 CDEDLO C=C(C)C[NH+]1CC(OC2CCN(C(C)=O)CC2)C1 ZINC001093491883 909864649 /nfs/dbraw/zinc/86/46/49/909864649.db2.gz HHLQTLYPTNSQIF-UHFFFAOYSA-N 1 2 252.358 1.274 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CCCOC)CC2)C1 ZINC001105691843 910231241 /nfs/dbraw/zinc/23/12/41/910231241.db2.gz YVAIXMQDOROVFB-UHFFFAOYSA-N 1 2 296.411 1.291 20 30 CDEDLO Cc1ccc(C#N)c(NCCNC(=O)CCn2cc[nH+]c2)n1 ZINC001094024675 910266719 /nfs/dbraw/zinc/26/67/19/910266719.db2.gz RAJBYWWOPGJQTC-UHFFFAOYSA-N 1 2 298.350 1.077 20 30 CDEDLO N#CC1(c2ccnc(N[C@@H]3CCC[N@@H+](C4COC4)C3)c2)CC1 ZINC001168370005 910407531 /nfs/dbraw/zinc/40/75/31/910407531.db2.gz TVEFSDVHPGDBDB-CQSZACIVSA-N 1 2 298.390 1.912 20 30 CDEDLO N#CC1(c2ccnc(N[C@@H]3CCC[N@H+](C4COC4)C3)c2)CC1 ZINC001168370005 910407541 /nfs/dbraw/zinc/40/75/41/910407541.db2.gz TVEFSDVHPGDBDB-CQSZACIVSA-N 1 2 298.390 1.912 20 30 CDEDLO C=CCO[C@H](C)C(=O)NCC1(Nc2cc[nH+]c(C)n2)CC1 ZINC001110164977 911190670 /nfs/dbraw/zinc/19/06/70/911190670.db2.gz VMIPCVIXWZQNHZ-LLVKDONJSA-N 1 2 290.367 1.437 20 30 CDEDLO O=C(C#Cc1ccccn1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001177807203 914951623 /nfs/dbraw/zinc/95/16/23/914951623.db2.gz LADLAGHLSPANKE-OAHLLOKOSA-N 1 2 292.342 1.223 20 30 CDEDLO CC(C)[NH+]1CC(NC(=O)[C@H](C#N)Cc2cccs2)C1 ZINC001177916570 915025674 /nfs/dbraw/zinc/02/56/74/915025674.db2.gz XOECOBQOCDRWBL-NSHDSACASA-N 1 2 277.393 1.639 20 30 CDEDLO C[C@H](C(=O)N(O)C(=N)c1ccccc1N)n1cc[nH+]c1 ZINC001177926541 915043671 /nfs/dbraw/zinc/04/36/71/915043671.db2.gz KGUWDDUAXPEQNA-SECBINFHSA-N 1 2 273.296 1.270 20 30 CDEDLO Cc1coc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)c1C#N ZINC001178102076 915171375 /nfs/dbraw/zinc/17/13/75/915171375.db2.gz HLINMNTVVQFQPX-JTQLQIEISA-N 1 2 270.292 1.857 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)c2cnccn2)CC1 ZINC001178192864 915258491 /nfs/dbraw/zinc/25/84/91/915258491.db2.gz FDPAPEWILYIVPM-UHFFFAOYSA-N 1 2 274.368 1.084 20 30 CDEDLO C[C@H](CNC(=O)CCc1[nH]cc[nH+]1)Nc1ccc(C#N)cn1 ZINC001097791860 936379111 /nfs/dbraw/zinc/37/91/11/936379111.db2.gz IHPRWKSKLYRHMB-LLVKDONJSA-N 1 2 298.350 1.226 20 30 CDEDLO N#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001097821759 936392482 /nfs/dbraw/zinc/39/24/82/936392482.db2.gz RAHRWNVPDNJFAK-WVWOOGAGSA-N 1 2 299.378 1.075 20 30 CDEDLO Cc1nc(N[C@@H](C)CNC(=O)C#CC(C)C)cc[nH+]1 ZINC001097823460 936392651 /nfs/dbraw/zinc/39/26/51/936392651.db2.gz VSVJZVREQLLHIW-NSHDSACASA-N 1 2 260.341 1.361 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C(C)C)o2)C1 ZINC001181511396 917113986 /nfs/dbraw/zinc/11/39/86/917113986.db2.gz NDMXWWCFAODMEM-GFCCVEGCSA-N 1 2 292.383 1.850 20 30 CDEDLO Cc1noc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C#CC(C)C)C2)n1 ZINC001182413966 917863150 /nfs/dbraw/zinc/86/31/50/917863150.db2.gz AVFIJUCCPMSUHW-DGCLKSJQSA-N 1 2 290.367 1.289 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)cc1OC ZINC001138345596 936523150 /nfs/dbraw/zinc/52/31/50/936523150.db2.gz KENZSWHNFKQKMN-KBPBESRZSA-N 1 2 273.332 1.680 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CO3)cc1OC ZINC001138345596 936523153 /nfs/dbraw/zinc/52/31/53/936523153.db2.gz KENZSWHNFKQKMN-KBPBESRZSA-N 1 2 273.332 1.680 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)CCCC(C)=O)C1 ZINC001107734333 918703863 /nfs/dbraw/zinc/70/38/63/918703863.db2.gz BNQGRFTVELNUEX-INIZCTEOSA-N 1 2 296.411 1.529 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)CCCC(C)=O)C1 ZINC001107734333 918703869 /nfs/dbraw/zinc/70/38/69/918703869.db2.gz BNQGRFTVELNUEX-INIZCTEOSA-N 1 2 296.411 1.529 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001107731300 918708881 /nfs/dbraw/zinc/70/88/81/918708881.db2.gz NQTQBGUDBBYZFE-QMTHXVAHSA-N 1 2 278.356 1.029 20 30 CDEDLO N#Cc1ccnc(NC(=O)CCc2ccc(N)[nH+]c2)c1 ZINC001183932731 918744734 /nfs/dbraw/zinc/74/47/34/918744734.db2.gz VIAQWWOXRRIJCS-UHFFFAOYSA-N 1 2 267.292 1.502 20 30 CDEDLO N#Cc1cc[nH]c1NC(=O)CCc1ccc(N)[nH+]c1 ZINC001183928367 918772572 /nfs/dbraw/zinc/77/25/72/918772572.db2.gz BYSIVGUQSPIMOX-UHFFFAOYSA-N 1 2 255.281 1.435 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)OCC)C1 ZINC001107788691 918784730 /nfs/dbraw/zinc/78/47/30/918784730.db2.gz JWCIUYCRNGIGOC-HOCLYGCPSA-N 1 2 296.411 1.032 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)OCC)C1 ZINC001107788691 918784742 /nfs/dbraw/zinc/78/47/42/918784742.db2.gz JWCIUYCRNGIGOC-HOCLYGCPSA-N 1 2 296.411 1.032 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCOC2)CC1 ZINC001000495643 936532793 /nfs/dbraw/zinc/53/27/93/936532793.db2.gz KAHXIAWTSSJIPL-CYBMUJFWSA-N 1 2 284.787 1.524 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCOC2)CC1 ZINC001000495643 936532796 /nfs/dbraw/zinc/53/27/96/936532796.db2.gz KAHXIAWTSSJIPL-CYBMUJFWSA-N 1 2 284.787 1.524 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)CSC)C1 ZINC001107816469 918818053 /nfs/dbraw/zinc/81/80/53/918818053.db2.gz DMKBKCDFENFTSC-JSGCOSHPSA-N 1 2 286.441 1.379 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)CSC)C1 ZINC001107816469 918818062 /nfs/dbraw/zinc/81/80/62/918818062.db2.gz DMKBKCDFENFTSC-JSGCOSHPSA-N 1 2 286.441 1.379 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2c(C)coc2C)C1 ZINC001107914822 919040391 /nfs/dbraw/zinc/04/03/91/919040391.db2.gz SSRIEMHWFSLCCF-MRXNPFEDSA-N 1 2 292.379 1.903 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2c(C)coc2C)C1 ZINC001107914822 919040400 /nfs/dbraw/zinc/04/04/00/919040400.db2.gz SSRIEMHWFSLCCF-MRXNPFEDSA-N 1 2 292.379 1.903 20 30 CDEDLO C#CCN1CCC2(CC[NH+](Cc3cn[nH]c3C)CC2)C1=O ZINC001272754311 919079089 /nfs/dbraw/zinc/07/90/89/919079089.db2.gz GAPBGMYJXDDXQU-UHFFFAOYSA-N 1 2 286.379 1.166 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C2CC2)n(C)n1 ZINC001032435092 919135886 /nfs/dbraw/zinc/13/58/86/919135886.db2.gz GWMDXVMSTKSTQP-KBPBESRZSA-N 1 2 298.390 1.220 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C2CC2)n(C)n1 ZINC001032435092 919135900 /nfs/dbraw/zinc/13/59/00/919135900.db2.gz GWMDXVMSTKSTQP-KBPBESRZSA-N 1 2 298.390 1.220 20 30 CDEDLO C=CCCCC(=O)N1CC[C@@H]([NH2+]Cc2nc(CC)no2)C1 ZINC001185314349 919534943 /nfs/dbraw/zinc/53/49/43/919534943.db2.gz XJSXFTPVZSDETQ-GFCCVEGCSA-N 1 2 292.383 1.679 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C(C)(F)F)CC1 ZINC001032631268 919544590 /nfs/dbraw/zinc/54/45/90/919544590.db2.gz KIAQMBGIBMIIOT-RYUDHWBXSA-N 1 2 282.334 1.730 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C(C)(F)F)CC1 ZINC001032631268 919544603 /nfs/dbraw/zinc/54/46/03/919544603.db2.gz KIAQMBGIBMIIOT-RYUDHWBXSA-N 1 2 282.334 1.730 20 30 CDEDLO N#C[C@H]1CC[N@H+](Cc2ccccc2N2CCOCC2)C1 ZINC001139506948 936625772 /nfs/dbraw/zinc/62/57/72/936625772.db2.gz HDAYSASBLBSUEK-CQSZACIVSA-N 1 2 271.364 1.869 20 30 CDEDLO N#C[C@H]1CC[N@@H+](Cc2ccccc2N2CCOCC2)C1 ZINC001139506948 936625773 /nfs/dbraw/zinc/62/57/73/936625773.db2.gz HDAYSASBLBSUEK-CQSZACIVSA-N 1 2 271.364 1.869 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(CC)c(C)s2)C1 ZINC001078146873 920140544 /nfs/dbraw/zinc/14/05/44/920140544.db2.gz FLFQSNGCUHQSRL-CHWSQXEVSA-N 1 2 292.404 1.027 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(CC)c(C)s2)C1 ZINC001078146873 920140549 /nfs/dbraw/zinc/14/05/49/920140549.db2.gz FLFQSNGCUHQSRL-CHWSQXEVSA-N 1 2 292.404 1.027 20 30 CDEDLO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001139650842 936634381 /nfs/dbraw/zinc/63/43/81/936634381.db2.gz YZZDFSGDCRDZML-AWEZNQCLSA-N 1 2 275.327 1.798 20 30 CDEDLO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001139650842 936634383 /nfs/dbraw/zinc/63/43/83/936634383.db2.gz YZZDFSGDCRDZML-AWEZNQCLSA-N 1 2 275.327 1.798 20 30 CDEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001139687701 936636008 /nfs/dbraw/zinc/63/60/08/936636008.db2.gz VWOOPIJFGWVIOS-RISCZKNCSA-N 1 2 280.755 1.387 20 30 CDEDLO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001139687701 936636009 /nfs/dbraw/zinc/63/60/09/936636009.db2.gz VWOOPIJFGWVIOS-RISCZKNCSA-N 1 2 280.755 1.387 20 30 CDEDLO C#CCCC[N@H+]1C[C@]2(F)CN([C@@H](C)CC)C(=O)[C@]2(F)C1 ZINC001273537270 920429384 /nfs/dbraw/zinc/42/93/84/920429384.db2.gz DWZDIAPLJFVYOF-AEGPPILISA-N 1 2 284.350 1.773 20 30 CDEDLO C#CCCC[N@@H+]1C[C@]2(F)CN([C@@H](C)CC)C(=O)[C@]2(F)C1 ZINC001273537270 920429386 /nfs/dbraw/zinc/42/93/86/920429386.db2.gz DWZDIAPLJFVYOF-AEGPPILISA-N 1 2 284.350 1.773 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2scnc2C(C)C)[C@@H](O)C1 ZINC001083843685 921921263 /nfs/dbraw/zinc/92/12/63/921921263.db2.gz UAOOUNPYOIHNRS-MNOVXSKESA-N 1 2 295.408 1.227 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2scnc2C(C)C)[C@@H](O)C1 ZINC001083843685 921921270 /nfs/dbraw/zinc/92/12/70/921921270.db2.gz UAOOUNPYOIHNRS-MNOVXSKESA-N 1 2 295.408 1.227 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(F)c[nH]2)C1 ZINC001108077829 921924953 /nfs/dbraw/zinc/92/49/53/921924953.db2.gz AEASPNFTEYWHLC-AWEZNQCLSA-N 1 2 281.331 1.161 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(F)c[nH]2)C1 ZINC001108077829 921924962 /nfs/dbraw/zinc/92/49/62/921924962.db2.gz AEASPNFTEYWHLC-AWEZNQCLSA-N 1 2 281.331 1.161 20 30 CDEDLO COC(=O)N1CCC[N@H+](Cc2ccc(C#N)nc2)CC1 ZINC001140540507 936722280 /nfs/dbraw/zinc/72/22/80/936722280.db2.gz YRSYBPPMQBDKHW-UHFFFAOYSA-N 1 2 274.324 1.227 20 30 CDEDLO COC(=O)N1CCC[N@@H+](Cc2ccc(C#N)nc2)CC1 ZINC001140540507 936722281 /nfs/dbraw/zinc/72/22/81/936722281.db2.gz YRSYBPPMQBDKHW-UHFFFAOYSA-N 1 2 274.324 1.227 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](F)C(C)C)C1 ZINC001108140540 922740074 /nfs/dbraw/zinc/74/00/74/922740074.db2.gz OQIQGBLDTMSYAL-ZFWWWQNUSA-N 1 2 284.375 1.211 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](F)C(C)C)C1 ZINC001108140540 922740081 /nfs/dbraw/zinc/74/00/81/922740081.db2.gz OQIQGBLDTMSYAL-ZFWWWQNUSA-N 1 2 284.375 1.211 20 30 CDEDLO COc1cc(O)c(C[N@@H+]2CC[C@H](C#N)C2)c(OC)c1 ZINC001141029686 936794003 /nfs/dbraw/zinc/79/40/03/936794003.db2.gz ZVTITGDLKZKPSL-SNVBAGLBSA-N 1 2 262.309 1.755 20 30 CDEDLO COc1cc(O)c(C[N@H+]2CC[C@H](C#N)C2)c(OC)c1 ZINC001141029686 936794004 /nfs/dbraw/zinc/79/40/04/936794004.db2.gz ZVTITGDLKZKPSL-SNVBAGLBSA-N 1 2 262.309 1.755 20 30 CDEDLO Cc1c[nH]c(CCNC(=O)c2cnc(C)c(C#N)c2)[nH+]1 ZINC001192296392 922997172 /nfs/dbraw/zinc/99/71/72/922997172.db2.gz HSGISXDITCUHHP-UHFFFAOYSA-N 1 2 269.308 1.266 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)[C@H](O)C1 ZINC001099826886 936812697 /nfs/dbraw/zinc/81/26/97/936812697.db2.gz ROBDFFBAIOONDH-QWHCGFSZSA-N 1 2 298.814 1.340 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)[C@H](O)C1 ZINC001099826886 936812700 /nfs/dbraw/zinc/81/27/00/936812700.db2.gz ROBDFFBAIOONDH-QWHCGFSZSA-N 1 2 298.814 1.340 20 30 CDEDLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2c[nH]nc2C#N)c1 ZINC001194885822 924380180 /nfs/dbraw/zinc/38/01/80/924380180.db2.gz BQTPWHRFUXVPSD-UHFFFAOYSA-N 1 2 292.302 1.934 20 30 CDEDLO N#C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC001250667674 924672325 /nfs/dbraw/zinc/67/23/25/924672325.db2.gz FIILPHAABHEWEE-WCQYABFASA-N 1 2 280.755 1.925 20 30 CDEDLO N#C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC001250667674 924672329 /nfs/dbraw/zinc/67/23/29/924672329.db2.gz FIILPHAABHEWEE-WCQYABFASA-N 1 2 280.755 1.925 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C(F)=C2CCCC2)[C@H](OC)C1 ZINC001081538018 924765237 /nfs/dbraw/zinc/76/52/37/924765237.db2.gz HSGVTHHEDHTDRK-ZIAGYGMSSA-N 1 2 294.370 1.623 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C(F)=C2CCCC2)[C@H](OC)C1 ZINC001081538018 924765243 /nfs/dbraw/zinc/76/52/43/924765243.db2.gz HSGVTHHEDHTDRK-ZIAGYGMSSA-N 1 2 294.370 1.623 20 30 CDEDLO CSc1nc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)ccc1C#N ZINC001141928893 936955209 /nfs/dbraw/zinc/95/52/09/936955209.db2.gz CCDDXEQGJAPPNI-NEPJUHHUSA-N 1 2 281.356 1.580 20 30 CDEDLO CSc1nc(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)ccc1C#N ZINC001141928893 936955211 /nfs/dbraw/zinc/95/52/11/936955211.db2.gz CCDDXEQGJAPPNI-NEPJUHHUSA-N 1 2 281.356 1.580 20 30 CDEDLO N#Cc1ccc(Cl)cc1S(=O)(=O)NCC[NH+]1CCC1 ZINC001196706657 924964898 /nfs/dbraw/zinc/96/48/98/924964898.db2.gz IREVIUQJPBOSMV-UHFFFAOYSA-N 1 2 299.783 1.196 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC(C)(C)C3)[C@H]2C1 ZINC001083183720 925116299 /nfs/dbraw/zinc/11/62/99/925116299.db2.gz RWAVXPKGOVRZOA-QLFBSQMISA-N 1 2 290.407 1.358 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC(C)(C)C3)[C@H]2C1 ZINC001083183720 925116305 /nfs/dbraw/zinc/11/63/05/925116305.db2.gz RWAVXPKGOVRZOA-QLFBSQMISA-N 1 2 290.407 1.358 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2oc3ccccc3c2C)[C@@H](O)C1 ZINC001084027672 925128022 /nfs/dbraw/zinc/12/80/22/925128022.db2.gz TVMDRJXSGSJKTL-KGLIPLIRSA-N 1 2 298.342 1.149 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2oc3ccccc3c2C)[C@@H](O)C1 ZINC001084027672 925128028 /nfs/dbraw/zinc/12/80/28/925128028.db2.gz TVMDRJXSGSJKTL-KGLIPLIRSA-N 1 2 298.342 1.149 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C3CCCCC3)CC2)[C@@H](O)C1 ZINC001084000179 925130458 /nfs/dbraw/zinc/13/04/58/925130458.db2.gz PDEZWLNJOXWKST-CABCVRRESA-N 1 2 290.407 1.141 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C3CCCCC3)CC2)[C@@H](O)C1 ZINC001084000179 925130465 /nfs/dbraw/zinc/13/04/65/925130465.db2.gz PDEZWLNJOXWKST-CABCVRRESA-N 1 2 290.407 1.141 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]nc3C)[C@@H]2C1 ZINC001084563700 925289479 /nfs/dbraw/zinc/28/94/79/925289479.db2.gz RDSAFPOCIILQDJ-DGCLKSJQSA-N 1 2 294.786 1.617 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]nc3C)[C@@H]2C1 ZINC001084563700 925289484 /nfs/dbraw/zinc/28/94/84/925289484.db2.gz RDSAFPOCIILQDJ-DGCLKSJQSA-N 1 2 294.786 1.617 20 30 CDEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](CCF)C[C@H]32)cn1 ZINC001084784609 925425814 /nfs/dbraw/zinc/42/58/14/925425814.db2.gz XBVLGYCPLPFFLZ-UKRRQHHQSA-N 1 2 287.338 1.179 20 30 CDEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](CCF)C[C@H]32)cn1 ZINC001084784609 925425820 /nfs/dbraw/zinc/42/58/20/925425820.db2.gz XBVLGYCPLPFFLZ-UKRRQHHQSA-N 1 2 287.338 1.179 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC=C)c2ccccc2)C1 ZINC001198896694 925560446 /nfs/dbraw/zinc/56/04/46/925560446.db2.gz LTVYOSYWPZSSTJ-GVDBMIGSSA-N 1 2 298.386 1.141 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC=C)c2ccccc2)C1 ZINC001198896694 925560452 /nfs/dbraw/zinc/56/04/52/925560452.db2.gz LTVYOSYWPZSSTJ-GVDBMIGSSA-N 1 2 298.386 1.141 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ocnc2CC)C1 ZINC001108201939 925787565 /nfs/dbraw/zinc/78/75/65/925787565.db2.gz UCXZNFSVCNKDIP-HNNXBMFYSA-N 1 2 293.367 1.244 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ocnc2CC)C1 ZINC001108201939 925787569 /nfs/dbraw/zinc/78/75/69/925787569.db2.gz UCXZNFSVCNKDIP-HNNXBMFYSA-N 1 2 293.367 1.244 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccncc1F ZINC001085528354 926118350 /nfs/dbraw/zinc/11/83/50/926118350.db2.gz WPAZGYNAWYPBSB-GFCCVEGCSA-N 1 2 275.327 1.390 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccncc1F ZINC001085528354 926118352 /nfs/dbraw/zinc/11/83/52/926118352.db2.gz WPAZGYNAWYPBSB-GFCCVEGCSA-N 1 2 275.327 1.390 20 30 CDEDLO CN(C[C@H]1CC[N@@H+]1C/C=C/Cl)C(=O)c1ccc(C#N)[nH]1 ZINC001085543557 926132720 /nfs/dbraw/zinc/13/27/20/926132720.db2.gz ZXURIDJMRCJDCT-RDNKVPPGSA-N 1 2 292.770 1.785 20 30 CDEDLO CN(C[C@H]1CC[N@H+]1C/C=C/Cl)C(=O)c1ccc(C#N)[nH]1 ZINC001085543557 926132729 /nfs/dbraw/zinc/13/27/29/926132729.db2.gz ZXURIDJMRCJDCT-RDNKVPPGSA-N 1 2 292.770 1.785 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)cs1 ZINC001085586051 926182742 /nfs/dbraw/zinc/18/27/42/926182742.db2.gz NLLKBTLAZNBNGC-LBPRGKRZSA-N 1 2 262.378 1.836 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)cs1 ZINC001085586051 926182747 /nfs/dbraw/zinc/18/27/47/926182747.db2.gz NLLKBTLAZNBNGC-LBPRGKRZSA-N 1 2 262.378 1.836 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(F)c(F)c1 ZINC001085640738 926239757 /nfs/dbraw/zinc/23/97/57/926239757.db2.gz TZTYCISWMAXJKD-LBPRGKRZSA-N 1 2 278.302 1.744 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(F)c(F)c1 ZINC001085640738 926239764 /nfs/dbraw/zinc/23/97/64/926239764.db2.gz TZTYCISWMAXJKD-LBPRGKRZSA-N 1 2 278.302 1.744 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(F)ccc1F ZINC001085641348 926243141 /nfs/dbraw/zinc/24/31/41/926243141.db2.gz JRWLGJRQGUDTRK-LBPRGKRZSA-N 1 2 278.302 1.744 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(F)ccc1F ZINC001085641348 926243149 /nfs/dbraw/zinc/24/31/49/926243149.db2.gz JRWLGJRQGUDTRK-LBPRGKRZSA-N 1 2 278.302 1.744 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc2[nH]ccc2c1 ZINC001085656681 926251968 /nfs/dbraw/zinc/25/19/68/926251968.db2.gz XAFOKEDSTJBLGH-AWEZNQCLSA-N 1 2 282.347 1.294 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc2[nH]ccc2c1 ZINC001085656681 926251971 /nfs/dbraw/zinc/25/19/71/926251971.db2.gz XAFOKEDSTJBLGH-AWEZNQCLSA-N 1 2 282.347 1.294 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(Cl)cn1C ZINC001085710333 926315023 /nfs/dbraw/zinc/31/50/23/926315023.db2.gz GNBPUWKCKGKVAJ-GFCCVEGCSA-N 1 2 279.771 1.458 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(Cl)cn1C ZINC001085710333 926315034 /nfs/dbraw/zinc/31/50/34/926315034.db2.gz GNBPUWKCKGKVAJ-GFCCVEGCSA-N 1 2 279.771 1.458 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2nonc2c1 ZINC001085796364 926405712 /nfs/dbraw/zinc/40/57/12/926405712.db2.gz PFCDPASSNVVJTB-GFCCVEGCSA-N 1 2 284.319 1.002 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2nonc2c1 ZINC001085796364 926405717 /nfs/dbraw/zinc/40/57/17/926405717.db2.gz PFCDPASSNVVJTB-GFCCVEGCSA-N 1 2 284.319 1.002 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ocnc1CC ZINC001085809007 926414207 /nfs/dbraw/zinc/41/42/07/926414207.db2.gz SHXSBFOCNONEGK-LBPRGKRZSA-N 1 2 275.352 1.407 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ocnc1CC ZINC001085809007 926414214 /nfs/dbraw/zinc/41/42/14/926414214.db2.gz SHXSBFOCNONEGK-LBPRGKRZSA-N 1 2 275.352 1.407 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc(C2CC2)n1 ZINC001085852263 926450984 /nfs/dbraw/zinc/45/09/84/926450984.db2.gz RXWFWCAREAARNY-CQSZACIVSA-N 1 2 298.390 1.524 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc(C2CC2)n1 ZINC001085852263 926450989 /nfs/dbraw/zinc/45/09/89/926450989.db2.gz RXWFWCAREAARNY-CQSZACIVSA-N 1 2 298.390 1.524 20 30 CDEDLO C#CCN1C[C@@]2(F)C[N@@H+](CC/C=C\CC)C[C@@]2(F)C1=O ZINC001273420643 926988140 /nfs/dbraw/zinc/98/81/40/926988140.db2.gz GZYRCYANXDRKGL-RWCKICOTSA-N 1 2 282.334 1.550 20 30 CDEDLO C#CCN1C[C@@]2(F)C[N@H+](CC/C=C\CC)C[C@@]2(F)C1=O ZINC001273420643 926988146 /nfs/dbraw/zinc/98/81/46/926988146.db2.gz GZYRCYANXDRKGL-RWCKICOTSA-N 1 2 282.334 1.550 20 30 CDEDLO Cc1nc(NC[C@@](C)(NC(=O)[C@@H](C)C#N)C2CC2)cc[nH+]1 ZINC001103492602 937144443 /nfs/dbraw/zinc/14/44/43/937144443.db2.gz BRVRYXXRELUMQN-ZUZCIYMTSA-N 1 2 287.367 1.642 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](F)CC)C1 ZINC001150150579 937221313 /nfs/dbraw/zinc/22/13/13/937221313.db2.gz ZVBOBSKPASCYCB-NWDGAFQWSA-N 1 2 292.782 1.694 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H](F)CC)C1 ZINC001150150579 937221315 /nfs/dbraw/zinc/22/13/15/937221315.db2.gz ZVBOBSKPASCYCB-NWDGAFQWSA-N 1 2 292.782 1.694 20 30 CDEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)CCCC)CC2=O)C1 ZINC001108506404 928176490 /nfs/dbraw/zinc/17/64/90/928176490.db2.gz QUODMXDDEMUDTB-ZDUSSCGKSA-N 1 2 293.411 1.154 20 30 CDEDLO C=CCc1cc(C)cnc1NC[C@H]1COCC[N@H+]1C ZINC001169652155 928284344 /nfs/dbraw/zinc/28/43/44/928284344.db2.gz DAYPGVYDMBFWFD-AWEZNQCLSA-N 1 2 261.369 1.861 20 30 CDEDLO C=CCc1cc(C)cnc1NC[C@H]1COCC[N@@H+]1C ZINC001169652155 928284348 /nfs/dbraw/zinc/28/43/48/928284348.db2.gz DAYPGVYDMBFWFD-AWEZNQCLSA-N 1 2 261.369 1.861 20 30 CDEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H](C)CCC)CC2=O)C1 ZINC001108527337 928341911 /nfs/dbraw/zinc/34/19/11/928341911.db2.gz HMOMZAPJHAKAHY-STQMWFEESA-N 1 2 293.411 1.010 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169764855 928415494 /nfs/dbraw/zinc/41/54/94/928415494.db2.gz QZYHFPVJMPCALU-HOTGVXAUSA-N 1 2 298.390 1.089 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC001169908056 928511102 /nfs/dbraw/zinc/51/11/02/928511102.db2.gz SHWBLVDMZBCALG-QWRGUYRKSA-N 1 2 289.397 1.123 20 30 CDEDLO C=CCCC(=O)N1CCO[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001111937572 937257704 /nfs/dbraw/zinc/25/77/04/937257704.db2.gz QXWVVSAZJGHKQN-ZDUSSCGKSA-N 1 2 290.367 1.391 20 30 CDEDLO C#CCO[C@H](C)C(=O)N(C)CCCNc1cc[nH+]c(C)n1 ZINC001109528336 928963580 /nfs/dbraw/zinc/96/35/80/928963580.db2.gz MXKIXFRAVTTYDW-GFCCVEGCSA-N 1 2 290.367 1.084 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H](C)CCC)CC1 ZINC001112685698 929325206 /nfs/dbraw/zinc/32/52/06/929325206.db2.gz CUYBLDNQDWLSQF-CQSZACIVSA-N 1 2 250.386 1.980 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CC2(OC)CCC2)CC1 ZINC001112812295 929459137 /nfs/dbraw/zinc/45/91/37/929459137.db2.gz UOUJYUNSLNRDCV-UHFFFAOYSA-N 1 2 252.358 1.276 20 30 CDEDLO CCCCCCCCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001116049753 937429247 /nfs/dbraw/zinc/42/92/47/937429247.db2.gz KHTBEKHRFDODOZ-AWEZNQCLSA-N 1 2 297.443 1.803 20 30 CDEDLO CCCCCCCCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001116049753 937429248 /nfs/dbraw/zinc/42/92/48/937429248.db2.gz KHTBEKHRFDODOZ-AWEZNQCLSA-N 1 2 297.443 1.803 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@H]1CCc2c(Cl)cccc2C1 ZINC001171037328 931374902 /nfs/dbraw/zinc/37/49/02/931374902.db2.gz KMVAXRFYXHTJAT-STQMWFEESA-N 1 2 275.783 1.995 20 30 CDEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1[nH]ccc1C#N ZINC001274856201 931594786 /nfs/dbraw/zinc/59/47/86/931594786.db2.gz WOHJNAAXFJDFMT-HUUCEWRRSA-N 1 2 284.363 1.638 20 30 CDEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1[nH]ccc1C#N ZINC001274856201 931594790 /nfs/dbraw/zinc/59/47/90/931594790.db2.gz WOHJNAAXFJDFMT-HUUCEWRRSA-N 1 2 284.363 1.638 20 30 CDEDLO C[N@@H+]1CCc2nc(C(=O)N3CCC[C@@H](C#N)C3)sc2C1 ZINC001154219396 937518565 /nfs/dbraw/zinc/51/85/65/937518565.db2.gz SJPJVACCKNTQJO-JTQLQIEISA-N 1 2 290.392 1.507 20 30 CDEDLO C[N@H+]1CCc2nc(C(=O)N3CCC[C@@H](C#N)C3)sc2C1 ZINC001154219396 937518566 /nfs/dbraw/zinc/51/85/66/937518566.db2.gz SJPJVACCKNTQJO-JTQLQIEISA-N 1 2 290.392 1.507 20 30 CDEDLO C=C(Cc1ccccc1)C(=O)NCCc1cn(C)c[nH+]1 ZINC001144408061 931799010 /nfs/dbraw/zinc/79/90/10/931799010.db2.gz VPCCIEPAMZZNBS-UHFFFAOYSA-N 1 2 269.348 1.878 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)/C=C/C2CC2)C1 ZINC001149521450 932843355 /nfs/dbraw/zinc/84/33/55/932843355.db2.gz NHYRKVYYOHEJDN-VBROQKIQSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)/C=C/C2CC2)C1 ZINC001149521450 932843362 /nfs/dbraw/zinc/84/33/62/932843362.db2.gz NHYRKVYYOHEJDN-VBROQKIQSA-N 1 2 298.814 1.912 20 30 CDEDLO C=CC[C@H]([NH2+]C[C@H](OC)[C@H]1CCOC1)C(=O)OCC ZINC001119245043 937703115 /nfs/dbraw/zinc/70/31/15/937703115.db2.gz MHWRYBGKIXWTFT-AVGNSLFASA-N 1 2 271.357 1.135 20 30 CDEDLO C=CC[N@@H+](CCc1ccco1)Cn1cnc(C(=O)OC)n1 ZINC000778585574 934198822 /nfs/dbraw/zinc/19/88/22/934198822.db2.gz RYQVYWZRNIMPIL-UHFFFAOYSA-N 1 2 290.323 1.346 20 30 CDEDLO C=CC[N@H+](CCc1ccco1)Cn1cnc(C(=O)OC)n1 ZINC000778585574 934198825 /nfs/dbraw/zinc/19/88/25/934198825.db2.gz RYQVYWZRNIMPIL-UHFFFAOYSA-N 1 2 290.323 1.346 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cnoc1)C2 ZINC001095904665 935028484 /nfs/dbraw/zinc/02/84/84/935028484.db2.gz 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285.376 1.815 20 30 CDEDLO CCc1ccc(C[NH+]2CCN(c3nccnc3C#N)CC2)o1 ZINC001204393357 939504411 /nfs/dbraw/zinc/50/44/11/939504411.db2.gz STWAZPJQRRMDJN-UHFFFAOYSA-N 1 2 297.362 1.826 20 30 CDEDLO Nc1ccc([NH+]=C(NO)c2ccccc2N)c(F)n1 ZINC001203620128 939696747 /nfs/dbraw/zinc/69/67/47/939696747.db2.gz AMZAAMIJYGBKCX-UHFFFAOYSA-N 1 2 261.260 1.442 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)OCC)C1 ZINC001206377694 940029228 /nfs/dbraw/zinc/02/92/28/940029228.db2.gz BTSBVWZDSVVRMN-RTXFEEFZSA-N 1 2 288.819 1.991 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)OCC)C1 ZINC001206377694 940029233 /nfs/dbraw/zinc/02/92/33/940029233.db2.gz BTSBVWZDSVVRMN-RTXFEEFZSA-N 1 2 288.819 1.991 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ccn(CC)n2)C[C@H]1C ZINC001206537145 940056752 /nfs/dbraw/zinc/05/67/52/940056752.db2.gz JRDVXMGSXYTTJV-UKRRQHHQSA-N 1 2 290.411 1.806 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(CC)n2)C[C@H]1C ZINC001206537145 940056754 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260.337 1.885 20 30 CDEDLO Cc1cc(OC[C@@H]2C[N@@H+](C)CCO2)cc(C)c1C#N ZINC001226833719 942080589 /nfs/dbraw/zinc/08/05/89/942080589.db2.gz KSFGCUDUPOIDCP-AWEZNQCLSA-N 1 2 260.337 1.885 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)OCCC(C)C ZINC001316611553 942587469 /nfs/dbraw/zinc/58/74/69/942587469.db2.gz ULADHJARQHWJLM-LSDHHAIUSA-N 1 2 280.412 1.604 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)OCCC(C)C ZINC001316611553 942587471 /nfs/dbraw/zinc/58/74/71/942587471.db2.gz ULADHJARQHWJLM-LSDHHAIUSA-N 1 2 280.412 1.604 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCCC ZINC001230795051 942698940 /nfs/dbraw/zinc/69/89/40/942698940.db2.gz CJOKPQDCCITSTN-KGLIPLIRSA-N 1 2 295.427 1.400 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC ZINC001230795051 942698943 /nfs/dbraw/zinc/69/89/43/942698943.db2.gz CJOKPQDCCITSTN-KGLIPLIRSA-N 1 2 295.427 1.400 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(OCC)nc2)CC1 ZINC001231658566 942963364 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943361773 /nfs/dbraw/zinc/36/17/73/943361773.db2.gz YNGJJTGFXPZOCQ-AWEZNQCLSA-N 1 2 259.353 1.790 20 30 CDEDLO Cc1ccc(CN2CC([N@H+](C)C3COC3)C2)c(C#N)c1 ZINC001232967487 943448196 /nfs/dbraw/zinc/44/81/96/943448196.db2.gz NSQNDUDXUGXXIV-UHFFFAOYSA-N 1 2 271.364 1.382 20 30 CDEDLO Cc1ccc(CN2CC([N@@H+](C)C3COC3)C2)c(C#N)c1 ZINC001232967487 943448199 /nfs/dbraw/zinc/44/81/99/943448199.db2.gz NSQNDUDXUGXXIV-UHFFFAOYSA-N 1 2 271.364 1.382 20 30 CDEDLO CC[N@H+](Cc1ccc(N(C)C)c(C#N)c1F)C1CN(C)C1 ZINC001233102834 943490535 /nfs/dbraw/zinc/49/05/35/943490535.db2.gz PFJLFEHZHRSKNT-UHFFFAOYSA-N 1 2 290.386 1.899 20 30 CDEDLO CC[N@@H+](Cc1ccc(N(C)C)c(C#N)c1F)C1CN(C)C1 ZINC001233102834 943490539 /nfs/dbraw/zinc/49/05/39/943490539.db2.gz PFJLFEHZHRSKNT-UHFFFAOYSA-N 1 2 290.386 1.899 20 30 CDEDLO CC[C@@H](SC)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001233695020 943641674 /nfs/dbraw/zinc/64/16/74/943641674.db2.gz QGJPCPMXFKUYKR-ZIAGYGMSSA-N 1 2 298.452 1.311 20 30 CDEDLO CC[C@@H](SC)C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001233695020 943641677 /nfs/dbraw/zinc/64/16/77/943641677.db2.gz QGJPCPMXFKUYKR-ZIAGYGMSSA-N 1 2 298.452 1.311 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)n1cccc1 ZINC001233730534 943647131 /nfs/dbraw/zinc/64/71/31/943647131.db2.gz JGFUYSKUDTZUPN-ZIAGYGMSSA-N 1 2 259.353 1.215 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)n1cccc1 ZINC001233730534 943647132 /nfs/dbraw/zinc/64/71/32/943647132.db2.gz JGFUYSKUDTZUPN-ZIAGYGMSSA-N 1 2 259.353 1.215 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(O)cc(F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233818354 943665166 /nfs/dbraw/zinc/66/51/66/943665166.db2.gz ZMFBTEZLMOVWSV-KLLCGCCRSA-N 1 2 265.284 1.523 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(O)cc(F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233818354 943665168 /nfs/dbraw/zinc/66/51/68/943665168.db2.gz ZMFBTEZLMOVWSV-KLLCGCCRSA-N 1 2 265.284 1.523 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@H]3C)n2CC)CC1 ZINC001263042739 943725877 /nfs/dbraw/zinc/72/58/77/943725877.db2.gz OWYWULAHBPLJSX-OLZOCXBDSA-N 1 2 273.384 1.177 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(c2ccccn2)CC1 ZINC001234314164 943799414 /nfs/dbraw/zinc/79/94/14/943799414.db2.gz SENHFWWKUQOSIM-AWEZNQCLSA-N 1 2 283.375 1.279 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(c2ccccn2)CC1 ZINC001234314164 943799417 /nfs/dbraw/zinc/79/94/17/943799417.db2.gz SENHFWWKUQOSIM-AWEZNQCLSA-N 1 2 283.375 1.279 20 30 CDEDLO CCc1cccnc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001234576530 943902524 /nfs/dbraw/zinc/90/25/24/943902524.db2.gz CDRGSPBCHCMYAG-KLLCGCCRSA-N 1 2 260.337 1.635 20 30 CDEDLO CCc1cccnc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001234576530 943902530 /nfs/dbraw/zinc/90/25/30/943902530.db2.gz CDRGSPBCHCMYAG-KLLCGCCRSA-N 1 2 260.337 1.635 20 30 CDEDLO Cc1cc(CNS(=O)(=O)c2ccc(C#N)o2)cc(C)[nH+]1 ZINC001475408700 971080486 /nfs/dbraw/zinc/08/04/86/971080486.db2.gz WDEONFZHBVYYKL-UHFFFAOYSA-N 1 2 291.332 1.642 20 30 CDEDLO COC(=O)c1cc(C#N)cc(-c2ccc(N)[nH+]c2)c1 ZINC001236313819 944464456 /nfs/dbraw/zinc/46/44/56/944464456.db2.gz ZJGSOIIWQOGTGG-UHFFFAOYSA-N 1 2 253.261 1.989 20 30 CDEDLO N#CCCN1CC[NH+](CC2OC=CC2=S)CC1 ZINC001237177659 944676518 /nfs/dbraw/zinc/67/65/18/944676518.db2.gz FBPRCBMANYHCSZ-UHFFFAOYSA-N 1 2 251.355 1.600 20 30 CDEDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(C#N)c(F)cc3F)C[C@@H]21 ZINC001237530956 944827462 /nfs/dbraw/zinc/82/74/62/944827462.db2.gz UKHVYDAPCHTKMO-YABSGUDNSA-N 1 2 292.285 1.687 20 30 CDEDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(C#N)c(F)cc3F)C[C@@H]21 ZINC001237530956 944827468 /nfs/dbraw/zinc/82/74/68/944827468.db2.gz UKHVYDAPCHTKMO-YABSGUDNSA-N 1 2 292.285 1.687 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccccc2C(=O)OCC)CC1 ZINC001237889097 944996385 /nfs/dbraw/zinc/99/63/85/944996385.db2.gz FRXWEBNXUODTFR-UHFFFAOYSA-N 1 2 286.375 1.614 20 30 CDEDLO C[C@@]1(O)COCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC001238082773 945054320 /nfs/dbraw/zinc/05/43/20/945054320.db2.gz NEROYYBLESLNFA-AWEZNQCLSA-N 1 2 280.755 1.795 20 30 CDEDLO C[C@@]1(O)COCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC001238082773 945054330 /nfs/dbraw/zinc/05/43/30/945054330.db2.gz NEROYYBLESLNFA-AWEZNQCLSA-N 1 2 280.755 1.795 20 30 CDEDLO COC(=O)c1cc(C#N)cc(-c2ccc[nH+]c2N)c1 ZINC001243476402 947129274 /nfs/dbraw/zinc/12/92/74/947129274.db2.gz RJHPHWINWMJBDS-UHFFFAOYSA-N 1 2 253.261 1.989 20 30 CDEDLO C=CCC1(O)C[NH+](Cc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001573330170 947433867 /nfs/dbraw/zinc/43/38/67/947433867.db2.gz VDZOKICEXIXSPR-UHFFFAOYSA-N 1 2 289.314 1.129 20 30 CDEDLO COC(=O)c1cnc2c(c1)C[N@H+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC001254679847 947594104 /nfs/dbraw/zinc/59/41/04/947594104.db2.gz QBUPOIJCUOBARH-RISCZKNCSA-N 1 2 285.347 1.919 20 30 CDEDLO COC(=O)c1cnc2c(c1)C[N@@H+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC001254679847 947594113 /nfs/dbraw/zinc/59/41/13/947594113.db2.gz QBUPOIJCUOBARH-RISCZKNCSA-N 1 2 285.347 1.919 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CCNC(=O)C(F)(F)Br ZINC001255165572 947759284 /nfs/dbraw/zinc/75/92/84/947759284.db2.gz YOMZFFNKBHPYHF-ZETCQYMHSA-N 1 2 298.131 1.372 20 30 CDEDLO CS(=O)(=O)N1CCC([NH2+]C2(C#N)CCCCCC2)CC1 ZINC001257224974 948553101 /nfs/dbraw/zinc/55/31/01/948553101.db2.gz XCYVDYUKOVKQNA-UHFFFAOYSA-N 1 2 299.440 1.617 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCc2cncnc2)C1 ZINC001479957514 971509417 /nfs/dbraw/zinc/50/94/17/971509417.db2.gz BOOHQUGSSHIBID-ZDUSSCGKSA-N 1 2 294.786 1.352 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCc2cncnc2)C1 ZINC001479957514 971509420 /nfs/dbraw/zinc/50/94/20/971509420.db2.gz BOOHQUGSSHIBID-ZDUSSCGKSA-N 1 2 294.786 1.352 20 30 CDEDLO N#Cc1cccc(-c2noc([C@@H]3CSCC[NH2+]3)n2)c1 ZINC001248601394 949082811 /nfs/dbraw/zinc/08/28/11/949082811.db2.gz MCLINOZVZUUVKI-NSHDSACASA-N 1 2 272.333 1.986 20 30 CDEDLO C#CCOC[C@@H](O)C[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC001251858156 950879804 /nfs/dbraw/zinc/87/98/04/950879804.db2.gz SEQUOARYINOGBL-KRWDZBQOSA-N 1 2 299.374 1.423 20 30 CDEDLO C#CCOC[C@@H](O)C[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC001251858156 950879819 /nfs/dbraw/zinc/87/98/19/950879819.db2.gz SEQUOARYINOGBL-KRWDZBQOSA-N 1 2 299.374 1.423 20 30 CDEDLO C=CCOC[C@H](O)CNc1cccc2[nH+]c(C)cn21 ZINC001252452071 951290647 /nfs/dbraw/zinc/29/06/47/951290647.db2.gz IIFCVQZATZDWRB-GFCCVEGCSA-N 1 2 261.325 1.618 20 30 CDEDLO C=CCOC[C@@H](O)C[NH2+]C1(c2ccccc2Cl)COC1 ZINC001252495533 951368152 /nfs/dbraw/zinc/36/81/52/951368152.db2.gz PNRSXLMVAUCDEW-LBPRGKRZSA-N 1 2 297.782 1.719 20 30 CDEDLO C=C[C@](C)(O)CNC(=[NH2+])c1ncccc1OCCC ZINC001252582998 951476158 /nfs/dbraw/zinc/47/61/58/951476158.db2.gz AUCATESJNHEKNX-AWEZNQCLSA-N 1 2 263.341 1.722 20 30 CDEDLO COc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001252889628 951698557 /nfs/dbraw/zinc/69/85/57/951698557.db2.gz APNCSGFKWGJTCJ-CZUORRHYSA-N 1 2 290.363 1.670 20 30 CDEDLO COc1ccccc1OC[C@H](O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC001252889628 951698561 /nfs/dbraw/zinc/69/85/61/951698561.db2.gz APNCSGFKWGJTCJ-CZUORRHYSA-N 1 2 290.363 1.670 20 30 CDEDLO C=C[C@@H](O)CNc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001253589828 951983256 /nfs/dbraw/zinc/98/32/56/951983256.db2.gz QTDRQIFHPDFMQG-OAHLLOKOSA-N 1 2 292.379 1.356 20 30 CDEDLO COc1ncc(NC(=O)c2cccc3[nH+]ccn32)cc1C#N ZINC001289072223 953969632 /nfs/dbraw/zinc/96/96/32/953969632.db2.gz SKTQVKKRPUUNEL-UHFFFAOYSA-N 1 2 293.286 1.862 20 30 CDEDLO C=CC[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)OCC ZINC001329658543 956050853 /nfs/dbraw/zinc/05/08/53/956050853.db2.gz GTPJGMNOZZQWGA-NWDGAFQWSA-N 1 2 279.340 1.458 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCc2cn[nH]c2)C1 ZINC001365935010 956457534 /nfs/dbraw/zinc/45/75/34/956457534.db2.gz BFTQDDLJPLQAMB-ZDUSSCGKSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCc2cn[nH]c2)C1 ZINC001365935010 956457541 /nfs/dbraw/zinc/45/75/41/956457541.db2.gz BFTQDDLJPLQAMB-ZDUSSCGKSA-N 1 2 296.802 1.675 20 30 CDEDLO C#CC[N@@H+](C)Cc1ccnn1-c1ccccc1OC ZINC001308963627 956605019 /nfs/dbraw/zinc/60/50/19/956605019.db2.gz OXPQQDWFOLUXAL-UHFFFAOYSA-N 1 2 255.321 1.946 20 30 CDEDLO C#CC[N@H+](C)Cc1ccnn1-c1ccccc1OC ZINC001308963627 956605028 /nfs/dbraw/zinc/60/50/28/956605028.db2.gz OXPQQDWFOLUXAL-UHFFFAOYSA-N 1 2 255.321 1.946 20 30 CDEDLO C=C(Cl)C[NH2+][C@@H](C)CNC(=O)c1[nH]nc2c1CCCC2 ZINC001366305289 956724979 /nfs/dbraw/zinc/72/49/79/956724979.db2.gz PWFCLAFLNIPSAZ-JTQLQIEISA-N 1 2 296.802 1.749 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnc(C)cn2)CC1 ZINC001313442284 956857307 /nfs/dbraw/zinc/85/73/07/956857307.db2.gz MNZVNFGCFBXPDS-UHFFFAOYSA-N 1 2 260.341 1.119 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1c(F)cncc1F ZINC001366532748 956935659 /nfs/dbraw/zinc/93/56/59/956935659.db2.gz QREXETPMVUPIFV-UHFFFAOYSA-N 1 2 289.713 1.774 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1c(F)cncc1F ZINC001366532748 956935674 /nfs/dbraw/zinc/93/56/74/956935674.db2.gz QREXETPMVUPIFV-UHFFFAOYSA-N 1 2 289.713 1.774 20 30 CDEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)COC ZINC001424271911 957182705 /nfs/dbraw/zinc/18/27/05/957182705.db2.gz VVYGMLOHHJMXOS-UHFFFAOYSA-N 1 2 293.205 1.322 20 30 CDEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)COC ZINC001424271911 957182708 /nfs/dbraw/zinc/18/27/08/957182708.db2.gz VVYGMLOHHJMXOS-UHFFFAOYSA-N 1 2 293.205 1.322 20 30 CDEDLO C=C[C@@H](COC)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001332078894 957425941 /nfs/dbraw/zinc/42/59/41/957425941.db2.gz NGFWOEGIQSHPCM-GWCFXTLKSA-N 1 2 278.356 1.107 20 30 CDEDLO C=C[C@@H](COC)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001332078894 957425945 /nfs/dbraw/zinc/42/59/45/957425945.db2.gz NGFWOEGIQSHPCM-GWCFXTLKSA-N 1 2 278.356 1.107 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCn1cc(C)cn1 ZINC001425076669 957464737 /nfs/dbraw/zinc/46/47/37/957464737.db2.gz XMDWPZNOZBEKIL-CYBMUJFWSA-N 1 2 298.818 1.771 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCn1cc(C)cn1 ZINC001425076669 957464744 /nfs/dbraw/zinc/46/47/44/957464744.db2.gz XMDWPZNOZBEKIL-CYBMUJFWSA-N 1 2 298.818 1.771 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ncccc1C ZINC001480853681 958616488 /nfs/dbraw/zinc/61/64/88/958616488.db2.gz OFMYBIHTUNOLIN-UHFFFAOYSA-N 1 2 267.760 1.804 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ncccc1C ZINC001480853681 958616495 /nfs/dbraw/zinc/61/64/95/958616495.db2.gz OFMYBIHTUNOLIN-UHFFFAOYSA-N 1 2 267.760 1.804 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cncc(F)c1 ZINC001480854659 958631025 /nfs/dbraw/zinc/63/10/25/958631025.db2.gz GPKJZEWQKOKXIF-UHFFFAOYSA-N 1 2 271.723 1.635 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cncc(F)c1 ZINC001480854659 958631030 /nfs/dbraw/zinc/63/10/30/958631030.db2.gz GPKJZEWQKOKXIF-UHFFFAOYSA-N 1 2 271.723 1.635 20 30 CDEDLO COCC#CC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC001334374404 959064996 /nfs/dbraw/zinc/06/49/96/959064996.db2.gz VNAXWPREZGWERF-UHFFFAOYSA-N 1 2 289.379 1.552 20 30 CDEDLO C#CC[N@H+](CC1CC1)Cn1ccc(C)c(C#N)c1=O ZINC001337817156 961444793 /nfs/dbraw/zinc/44/47/93/961444793.db2.gz UUIJRZWPVRDFMY-UHFFFAOYSA-N 1 2 255.321 1.331 20 30 CDEDLO C#CC[N@@H+](CC1CC1)Cn1ccc(C)c(C#N)c1=O ZINC001337817156 961444800 /nfs/dbraw/zinc/44/48/00/961444800.db2.gz UUIJRZWPVRDFMY-UHFFFAOYSA-N 1 2 255.321 1.331 20 30 CDEDLO C[N@H+](C[C@@H](O)c1cccc(C#N)c1)[C@H]1CC(C)(C)OC1=O ZINC001434470712 961467995 /nfs/dbraw/zinc/46/79/95/961467995.db2.gz AGIRUJLAYAMYSX-UONOGXRCSA-N 1 2 288.347 1.618 20 30 CDEDLO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)[C@H]1CC(C)(C)OC1=O ZINC001434470712 961468002 /nfs/dbraw/zinc/46/80/02/961468002.db2.gz AGIRUJLAYAMYSX-UONOGXRCSA-N 1 2 288.347 1.618 20 30 CDEDLO Cc1oncc1C[N@H+](C)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001437450206 962912283 /nfs/dbraw/zinc/91/22/83/962912283.db2.gz VTXUFKPSGVXCOH-UHFFFAOYSA-N 1 2 287.323 1.045 20 30 CDEDLO Cc1oncc1C[N@@H+](C)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001437450206 962912296 /nfs/dbraw/zinc/91/22/96/962912296.db2.gz VTXUFKPSGVXCOH-UHFFFAOYSA-N 1 2 287.323 1.045 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)C[C@H]1CCCO1)C1CC1 ZINC001437780285 963178086 /nfs/dbraw/zinc/17/80/86/963178086.db2.gz OQIMIEDGYREBGN-CYBMUJFWSA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)C[C@H]1CCCO1)C1CC1 ZINC001437780285 963178093 /nfs/dbraw/zinc/17/80/93/963178093.db2.gz OQIMIEDGYREBGN-CYBMUJFWSA-N 1 2 286.803 1.889 20 30 CDEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)OC ZINC001342685557 963796865 /nfs/dbraw/zinc/79/68/65/963796865.db2.gz KYGFJVSSPQFXEW-UHFFFAOYSA-N 1 2 292.387 1.389 20 30 CDEDLO C=C[C@@H](COC)[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC001342732863 963811494 /nfs/dbraw/zinc/81/14/94/963811494.db2.gz NBAWWBGDFPKNLN-ZDUSSCGKSA-N 1 2 273.340 1.012 20 30 CDEDLO C=C[C@H](CC)CC(=O)O[C@H](COC)C[N@@H+]1CCO[C@@H](C)C1 ZINC001343759717 964133153 /nfs/dbraw/zinc/13/31/53/964133153.db2.gz GGCFQZARNAWLFF-ZNMIVQPWSA-N 1 2 299.411 1.868 20 30 CDEDLO C=C[C@H](CC)CC(=O)O[C@H](COC)C[N@H+]1CCO[C@@H](C)C1 ZINC001343759717 964133161 /nfs/dbraw/zinc/13/31/61/964133161.db2.gz GGCFQZARNAWLFF-ZNMIVQPWSA-N 1 2 299.411 1.868 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(=O)n(C)c1 ZINC001440944767 964275314 /nfs/dbraw/zinc/27/53/14/964275314.db2.gz NRGSZFPNDJITIR-NSHDSACASA-N 1 2 297.786 1.188 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(=O)n(C)c1 ZINC001440944767 964275322 /nfs/dbraw/zinc/27/53/22/964275322.db2.gz NRGSZFPNDJITIR-NSHDSACASA-N 1 2 297.786 1.188 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1snnc1C(C)C ZINC001344515679 964339269 /nfs/dbraw/zinc/33/92/69/964339269.db2.gz VVDNHGMWJMBKMM-LLVKDONJSA-N 1 2 293.392 1.916 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1snnc1C(C)C ZINC001344515679 964339275 /nfs/dbraw/zinc/33/92/75/964339275.db2.gz VVDNHGMWJMBKMM-LLVKDONJSA-N 1 2 293.392 1.916 20 30 CDEDLO CC[C@@H](F)C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001442491836 965093095 /nfs/dbraw/zinc/09/30/95/965093095.db2.gz VKEXDXFEHLCVFY-CYBMUJFWSA-N 1 2 295.333 1.993 20 30 CDEDLO CC[C@@H](F)C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001442491836 965093102 /nfs/dbraw/zinc/09/31/02/965093102.db2.gz VKEXDXFEHLCVFY-CYBMUJFWSA-N 1 2 295.333 1.993 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)Nc1nc2cc(C#N)ccc2[nH]1 ZINC001557761912 965203900 /nfs/dbraw/zinc/20/39/00/965203900.db2.gz FPBJCPVHGRDDCE-UHFFFAOYSA-N 1 2 294.318 1.739 20 30 CDEDLO C#CCN(C)c1nnc([C@@H]2CCC[N@@H+]2C)n1CC1CC1 ZINC001347950042 965761445 /nfs/dbraw/zinc/76/14/45/965761445.db2.gz FZRDCPHNUGTCSV-ZDUSSCGKSA-N 1 2 273.384 1.524 20 30 CDEDLO C#CCN(C)c1nnc([C@@H]2CCC[N@H+]2C)n1CC1CC1 ZINC001347950042 965761455 /nfs/dbraw/zinc/76/14/55/965761455.db2.gz FZRDCPHNUGTCSV-ZDUSSCGKSA-N 1 2 273.384 1.524 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCc1ccon1 ZINC001448078154 966986837 /nfs/dbraw/zinc/98/68/37/966986837.db2.gz YWRISBSBFJPKCN-NSHDSACASA-N 1 2 285.775 1.796 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCc1ccon1 ZINC001448078154 966986846 /nfs/dbraw/zinc/98/68/46/966986846.db2.gz YWRISBSBFJPKCN-NSHDSACASA-N 1 2 285.775 1.796 20 30 CDEDLO C#CCCCC(=O)NCCN(C)c1nc(C)[nH+]c(C)c1C ZINC001100040412 967287003 /nfs/dbraw/zinc/28/70/03/967287003.db2.gz OFBMVPAZHYFHHC-UHFFFAOYSA-N 1 2 288.395 1.758 20 30 CDEDLO COc1ncc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1C#N ZINC001548463783 967506348 /nfs/dbraw/zinc/50/63/48/967506348.db2.gz SSWXYAOFMVYTLU-JTQLQIEISA-N 1 2 297.318 1.359 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCCN(CC)c1cc[nH+]c(C)n1 ZINC001100503132 968530589 /nfs/dbraw/zinc/53/05/89/968530589.db2.gz OXLREBLSILRHAG-HNNXBMFYSA-N 1 2 292.383 1.055 20 30 CDEDLO C=CCN(C)c1nnc(C[NH+]2CCCCC2)n1CC ZINC001356573958 969433171 /nfs/dbraw/zinc/43/31/71/969433171.db2.gz JAVMTHWOFGQAMQ-UHFFFAOYSA-N 1 2 263.389 1.906 20 30 CDEDLO C=C(C)CCC(=O)O[C@H](COC)C[N@@H+]1CCO[C@@H](C)C1 ZINC001519117039 970065774 /nfs/dbraw/zinc/06/57/74/970065774.db2.gz OFKSKLGPYRMCQZ-KBPBESRZSA-N 1 2 285.384 1.622 20 30 CDEDLO C=C(C)CCC(=O)O[C@H](COC)C[N@H+]1CCO[C@@H](C)C1 ZINC001519117039 970065780 /nfs/dbraw/zinc/06/57/80/970065780.db2.gz OFKSKLGPYRMCQZ-KBPBESRZSA-N 1 2 285.384 1.622 20 30 CDEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)C1CCC1 ZINC001520596623 970205953 /nfs/dbraw/zinc/20/59/53/970205953.db2.gz QGQKBKDIIOBETB-UHFFFAOYSA-N 1 2 286.383 1.777 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001361756735 970498415 /nfs/dbraw/zinc/49/84/15/970498415.db2.gz LGRJRNHVDRFDLD-UHFFFAOYSA-N 1 2 297.362 1.700 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001361934737 970692405 /nfs/dbraw/zinc/69/24/05/970692405.db2.gz BNVXENJDKDSMBF-GFCCVEGCSA-N 1 2 296.330 1.964 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(C(C)C)n(C)n1 ZINC001371965608 972720978 /nfs/dbraw/zinc/72/09/78/972720978.db2.gz UVSFWRGDPNFZII-UHFFFAOYSA-N 1 2 298.818 1.958 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(C(C)C)n(C)n1 ZINC001371965608 972720986 /nfs/dbraw/zinc/72/09/86/972720986.db2.gz UVSFWRGDPNFZII-UHFFFAOYSA-N 1 2 298.818 1.958 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](OCC)C2CC2)C1 ZINC001373508847 973473726 /nfs/dbraw/zinc/47/37/26/973473726.db2.gz RILCUQHKKLZANV-CYBMUJFWSA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cn1nc(C)cc1C ZINC001375068849 974250021 /nfs/dbraw/zinc/25/00/21/974250021.db2.gz DDNQOHFFCFYYSK-LBPRGKRZSA-N 1 2 298.818 1.689 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cn1nc(C)cc1C ZINC001375068849 974250016 /nfs/dbraw/zinc/25/00/16/974250016.db2.gz DDNQOHFFCFYYSK-LBPRGKRZSA-N 1 2 298.818 1.689 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCc1cnccn1 ZINC001377239909 974941956 /nfs/dbraw/zinc/94/19/56/974941956.db2.gz FSYVDRIPHXOYOA-UHFFFAOYSA-N 1 2 282.775 1.210 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCc1cnccn1 ZINC001377239909 974941958 /nfs/dbraw/zinc/94/19/58/974941958.db2.gz FSYVDRIPHXOYOA-UHFFFAOYSA-N 1 2 282.775 1.210 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ncc(OC)cn1 ZINC001401759684 975886892 /nfs/dbraw/zinc/88/68/92/975886892.db2.gz JOYSUCUWFASXEC-SNVBAGLBSA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ncc(OC)cn1 ZINC001401759684 975886897 /nfs/dbraw/zinc/88/68/97/975886897.db2.gz JOYSUCUWFASXEC-SNVBAGLBSA-N 1 2 298.774 1.288 20 30 CDEDLO C[C@H](C#N)C(=O)NCC1(O)C[NH+]([C@H](C)c2ccccc2)C1 ZINC001380581765 976463704 /nfs/dbraw/zinc/46/37/04/976463704.db2.gz PLPJCKLMRKBJNS-CHWSQXEVSA-N 1 2 287.363 1.070 20 30 CDEDLO Cc1cnc([C@H](C)[N@@H+](CCNC(=O)[C@H](C)C#N)C2CC2)o1 ZINC001404208428 977368533 /nfs/dbraw/zinc/36/85/33/977368533.db2.gz BZEZHGVXVVFHKJ-PWSUYJOCSA-N 1 2 290.367 1.784 20 30 CDEDLO Cc1cnc([C@H](C)[N@H+](CCNC(=O)[C@H](C)C#N)C2CC2)o1 ZINC001404208428 977368536 /nfs/dbraw/zinc/36/85/36/977368536.db2.gz BZEZHGVXVVFHKJ-PWSUYJOCSA-N 1 2 290.367 1.784 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cncc(OC)n1 ZINC001392701758 977559441 /nfs/dbraw/zinc/55/94/41/977559441.db2.gz KQLLPYFMQLQWCR-SNVBAGLBSA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cncc(OC)n1 ZINC001392701758 977559447 /nfs/dbraw/zinc/55/94/47/977559447.db2.gz KQLLPYFMQLQWCR-SNVBAGLBSA-N 1 2 298.774 1.288 20 30 CDEDLO C#CCCCCCC(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001132404080 1163271255 /nfs/dbraw/zinc/27/12/55/1163271255.db2.gz PJHULAFYSYZIBG-GFCCVEGCSA-N 1 2 294.424 1.889 20 30 CDEDLO COc1cc(C#N)ccc1OC[C@@H]1C[N@H+](C)CCO1 ZINC000092056296 1174354173 /nfs/dbraw/zinc/35/41/73/1174354173.db2.gz SYCVVUQOGBMKBH-LBPRGKRZSA-N 1 2 262.309 1.276 20 30 CDEDLO COc1cc(C#N)ccc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC000092056296 1174354176 /nfs/dbraw/zinc/35/41/76/1174354176.db2.gz SYCVVUQOGBMKBH-LBPRGKRZSA-N 1 2 262.309 1.276 20 30 CDEDLO C[C@@H](CNC(=O)c1cccc(C#N)n1)Cn1cc[nH+]c1 ZINC000589838960 342514925 /nfs/dbraw/zinc/51/49/25/342514925.db2.gz AYIFCCKBCZRJPA-NSHDSACASA-N 1 2 269.308 1.216 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)c1cccc(C#N)n1 ZINC000590075582 342521549 /nfs/dbraw/zinc/52/15/49/342521549.db2.gz GYSXPOIKRLRPQV-UHFFFAOYSA-N 1 2 268.276 1.287 20 30 CDEDLO C[N@H+](Cc1nnc2ccccn21)[C@H]1CC[C@H](C#N)C1 ZINC000590161281 342523639 /nfs/dbraw/zinc/52/36/39/342523639.db2.gz SNDCPPSYRDBCBM-RYUDHWBXSA-N 1 2 255.325 1.853 20 30 CDEDLO C[N@@H+](Cc1nnc2ccccn21)[C@H]1CC[C@H](C#N)C1 ZINC000590161281 342523640 /nfs/dbraw/zinc/52/36/40/342523640.db2.gz SNDCPPSYRDBCBM-RYUDHWBXSA-N 1 2 255.325 1.853 20 30 CDEDLO Cc1ccc(C#N)c(NC[C@@H](C)[NH+]2CCOCC2)n1 ZINC000127708749 187327643 /nfs/dbraw/zinc/32/76/43/187327643.db2.gz ZKZUXHNMVCKXKE-GFCCVEGCSA-N 1 2 260.341 1.394 20 30 CDEDLO C=CCCC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616868878 342569428 /nfs/dbraw/zinc/56/94/28/342569428.db2.gz WFNMMRRLELVWLH-LBPRGKRZSA-N 1 2 265.357 1.562 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCn2c[nH+]cc2C1 ZINC000590599081 342579636 /nfs/dbraw/zinc/57/96/36/342579636.db2.gz HFGWULBTHNMNPP-LBPRGKRZSA-N 1 2 295.346 1.598 20 30 CDEDLO N#CC1(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CCC1 ZINC000591323062 342625878 /nfs/dbraw/zinc/62/58/78/342625878.db2.gz DWZRFJADORTRBF-HNNXBMFYSA-N 1 2 298.390 1.856 20 30 CDEDLO N#CC1(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CCC1 ZINC000591323062 342625879 /nfs/dbraw/zinc/62/58/79/342625879.db2.gz DWZRFJADORTRBF-HNNXBMFYSA-N 1 2 298.390 1.856 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000591859770 342650052 /nfs/dbraw/zinc/65/00/52/342650052.db2.gz BQEJCGSNHRVXRR-WCQYABFASA-N 1 2 283.335 1.826 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000592152520 342669350 /nfs/dbraw/zinc/66/93/50/342669350.db2.gz YONPXTBNWILWNW-OAHLLOKOSA-N 1 2 258.296 1.528 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000592152520 342669351 /nfs/dbraw/zinc/66/93/51/342669351.db2.gz YONPXTBNWILWNW-OAHLLOKOSA-N 1 2 258.296 1.528 20 30 CDEDLO Cc1cncc(CC[NH+]2CCN([C@@H](C#N)C(C)C)CC2)n1 ZINC000593020048 342758021 /nfs/dbraw/zinc/75/80/21/342758021.db2.gz VREOBIXQKKBPSP-INIZCTEOSA-N 1 2 287.411 1.493 20 30 CDEDLO Cc1oc(C(C)C)nc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593153335 342774068 /nfs/dbraw/zinc/77/40/68/342774068.db2.gz WVZJVCYWYCITDP-CQSZACIVSA-N 1 2 278.356 1.680 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000593153417 342774134 /nfs/dbraw/zinc/77/41/34/342774134.db2.gz OEILALHNLYZJGR-COMQUAJESA-N 1 2 261.369 1.549 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1c(F)cc(C#N)cc1F ZINC000593154339 342774234 /nfs/dbraw/zinc/77/42/34/342774234.db2.gz JKTFDIHUEZGGFD-AWEZNQCLSA-N 1 2 292.289 1.410 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1Cc2ccccc21 ZINC000593154471 342774261 /nfs/dbraw/zinc/77/42/61/342774261.db2.gz UIXZROGIJXRGDT-HIFRSBDPSA-N 1 2 257.337 1.286 20 30 CDEDLO CC[C@H](C#N)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000593501124 342808512 /nfs/dbraw/zinc/80/85/12/342808512.db2.gz WIJTUVWWMNMOEM-GFCCVEGCSA-N 1 2 270.336 1.851 20 30 CDEDLO N#CCc1ccc(NC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000078312112 342204001 /nfs/dbraw/zinc/20/40/01/342204001.db2.gz FOHJHEXYMKNWHS-UHFFFAOYSA-N 1 2 288.351 1.206 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)NC3CCN(CC#N)CC3)ccn12 ZINC000594281371 342884279 /nfs/dbraw/zinc/88/42/79/342884279.db2.gz GPRWTXCKAFMRPT-UHFFFAOYSA-N 1 2 297.362 1.361 20 30 CDEDLO COCC[N@H+](C)Cc1cn([C@@H]2CC[C@H](C#N)C2)nn1 ZINC000600813061 342250391 /nfs/dbraw/zinc/25/03/91/342250391.db2.gz JSXZHWOBFQGUCR-WCQYABFASA-N 1 2 263.345 1.221 20 30 CDEDLO COCC[N@@H+](C)Cc1cn([C@@H]2CC[C@H](C#N)C2)nn1 ZINC000600813061 342250392 /nfs/dbraw/zinc/25/03/92/342250392.db2.gz JSXZHWOBFQGUCR-WCQYABFASA-N 1 2 263.345 1.221 20 30 CDEDLO N#C[C@H]1CC[C@@H](n2cc(C[NH+]3CCSCC3)nn2)C1 ZINC000600814182 342250437 /nfs/dbraw/zinc/25/04/37/342250437.db2.gz VXCOJGZGDNAZIW-WCQYABFASA-N 1 2 277.397 1.692 20 30 CDEDLO COCC[N@H+](C)Cc1cn([C@H]2CC[C@@H](C#N)C2)nn1 ZINC000600813062 342250467 /nfs/dbraw/zinc/25/04/67/342250467.db2.gz JSXZHWOBFQGUCR-YPMHNXCESA-N 1 2 263.345 1.221 20 30 CDEDLO COCC[N@@H+](C)Cc1cn([C@H]2CC[C@@H](C#N)C2)nn1 ZINC000600813062 342250468 /nfs/dbraw/zinc/25/04/68/342250468.db2.gz JSXZHWOBFQGUCR-YPMHNXCESA-N 1 2 263.345 1.221 20 30 CDEDLO COCCN(CCC#N)C(=O)Nc1cc[nH+]c(C)c1 ZINC000119926954 342271867 /nfs/dbraw/zinc/27/18/67/342271867.db2.gz HJVKTJUCUQMGTD-UHFFFAOYSA-N 1 2 262.313 1.784 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000595297158 343027412 /nfs/dbraw/zinc/02/74/12/343027412.db2.gz BQYSRWHWLQCZCM-YIYPIFLZSA-N 1 2 263.385 1.915 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000595297158 343027413 /nfs/dbraw/zinc/02/74/13/343027413.db2.gz BQYSRWHWLQCZCM-YIYPIFLZSA-N 1 2 263.385 1.915 20 30 CDEDLO CCN1CC[NH+]([C@H]2CCN([C@H](C#N)c3ccccc3)C2)CC1 ZINC000595309819 343032782 /nfs/dbraw/zinc/03/27/82/343032782.db2.gz BLOZESQGJLKCRJ-ZWKOTPCHSA-N 1 2 298.434 1.963 20 30 CDEDLO C[N@H+](CCc1nnn(C(C)(C)C)n1)CC(C)(C)C#N ZINC000595501387 343078781 /nfs/dbraw/zinc/07/87/81/343078781.db2.gz OVLZRHLBNCZINW-UHFFFAOYSA-N 1 2 264.377 1.452 20 30 CDEDLO C[N@@H+](CCc1nnn(C(C)(C)C)n1)CC(C)(C)C#N ZINC000595501387 343078784 /nfs/dbraw/zinc/07/87/84/343078784.db2.gz OVLZRHLBNCZINW-UHFFFAOYSA-N 1 2 264.377 1.452 20 30 CDEDLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595609494 343108166 /nfs/dbraw/zinc/10/81/66/343108166.db2.gz KYKGCFIGQBDMJP-LBPRGKRZSA-N 1 2 275.356 1.591 20 30 CDEDLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595609494 343108167 /nfs/dbraw/zinc/10/81/67/343108167.db2.gz KYKGCFIGQBDMJP-LBPRGKRZSA-N 1 2 275.356 1.591 20 30 CDEDLO N#CC[C@H]1CCCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000595590097 343094969 /nfs/dbraw/zinc/09/49/69/343094969.db2.gz RUTLIOKKUSRLKR-OLZOCXBDSA-N 1 2 287.367 1.533 20 30 CDEDLO C=CCOCC[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000645089900 362102732 /nfs/dbraw/zinc/10/27/32/362102732.db2.gz YBTFGGRWNXAUED-ZJUUUORDSA-N 1 2 253.264 1.841 20 30 CDEDLO C=CCOCC[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000645089900 362102735 /nfs/dbraw/zinc/10/27/35/362102735.db2.gz YBTFGGRWNXAUED-ZJUUUORDSA-N 1 2 253.264 1.841 20 30 CDEDLO N#Cc1sccc1N1CC[NH+](Cc2ccno2)CC1 ZINC000595630032 343113374 /nfs/dbraw/zinc/11/33/74/343113374.db2.gz DEJYASUGOUAYAS-UHFFFAOYSA-N 1 2 274.349 1.930 20 30 CDEDLO CC[N@H+](CCC#N)CCN1C(=O)c2ccccc2C1=O ZINC000081054658 342363738 /nfs/dbraw/zinc/36/37/38/342363738.db2.gz RBHQKQYNLMLSOY-UHFFFAOYSA-N 1 2 271.320 1.518 20 30 CDEDLO CC[N@@H+](CCC#N)CCN1C(=O)c2ccccc2C1=O ZINC000081054658 342363739 /nfs/dbraw/zinc/36/37/39/342363739.db2.gz RBHQKQYNLMLSOY-UHFFFAOYSA-N 1 2 271.320 1.518 20 30 CDEDLO CCc1nc(C#N)cc(N2CC(n3cc[nH+]c3)C2)n1 ZINC000596164711 343257157 /nfs/dbraw/zinc/25/71/57/343257157.db2.gz WPANTMRVYNYDOU-UHFFFAOYSA-N 1 2 254.297 1.168 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)NCCCCC#N)[C@@H](C)CO1 ZINC000596265203 343279246 /nfs/dbraw/zinc/27/92/46/343279246.db2.gz GUFDFQJISPZAFF-QWHCGFSZSA-N 1 2 282.388 1.089 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCCCCC#N)[C@@H](C)CO1 ZINC000596265203 343279249 /nfs/dbraw/zinc/27/92/49/343279249.db2.gz GUFDFQJISPZAFF-QWHCGFSZSA-N 1 2 282.388 1.089 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)NCC2(CC#N)CC2)[C@@H](C)CO1 ZINC000596587638 343355963 /nfs/dbraw/zinc/35/59/63/343355963.db2.gz OJJCWVKWZASEHD-QWHCGFSZSA-N 1 2 294.399 1.089 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCC2(CC#N)CC2)[C@@H](C)CO1 ZINC000596587638 343355964 /nfs/dbraw/zinc/35/59/64/343355964.db2.gz OJJCWVKWZASEHD-QWHCGFSZSA-N 1 2 294.399 1.089 20 30 CDEDLO C=CCCSCCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000596716096 343376752 /nfs/dbraw/zinc/37/67/52/343376752.db2.gz PXQAGYGFUDOHGI-UHFFFAOYSA-N 1 2 280.397 1.718 20 30 CDEDLO COC(=O)c1ccc(N[C@H](C)c2[nH+]ccn2C)c(C#N)n1 ZINC000596542176 343346820 /nfs/dbraw/zinc/34/68/20/343346820.db2.gz JYAIBUIPLTZGJT-SECBINFHSA-N 1 2 285.307 1.646 20 30 CDEDLO N#CC1CC[NH+](CC(=O)NC(C2CC2)C2CC2)CC1 ZINC000142019349 342447580 /nfs/dbraw/zinc/44/75/80/342447580.db2.gz XAWOAJUKVACQIX-UHFFFAOYSA-N 1 2 261.369 1.527 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCCC[C@H]2CNC(C)=O)nn1 ZINC000626158907 342449869 /nfs/dbraw/zinc/44/98/69/342449869.db2.gz CQIHRMITOIJJOD-HNNXBMFYSA-N 1 2 291.399 1.345 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCCC[C@H]2CNC(C)=O)nn1 ZINC000626158907 342449870 /nfs/dbraw/zinc/44/98/70/342449870.db2.gz CQIHRMITOIJJOD-HNNXBMFYSA-N 1 2 291.399 1.345 20 30 CDEDLO C=CCN(C)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000157629933 136388481 /nfs/dbraw/zinc/38/84/81/136388481.db2.gz ZBZLUUCFYZUYJM-UHFFFAOYSA-N 1 2 290.367 1.876 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CC#N)C1CCCC1 ZINC000597276542 343496392 /nfs/dbraw/zinc/49/63/92/343496392.db2.gz LLRUKHJTIQKEJJ-CHWSQXEVSA-N 1 2 272.352 1.818 20 30 CDEDLO C[C@@H](C#N)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597942455 343674415 /nfs/dbraw/zinc/67/44/15/343674415.db2.gz YULZEVLPVXRYFH-NSHDSACASA-N 1 2 258.325 1.458 20 30 CDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597863282 343661536 /nfs/dbraw/zinc/66/15/36/343661536.db2.gz MUYAHSYHWDOGKJ-LLVKDONJSA-N 1 2 284.319 1.707 20 30 CDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597863282 343661537 /nfs/dbraw/zinc/66/15/37/343661537.db2.gz MUYAHSYHWDOGKJ-LLVKDONJSA-N 1 2 284.319 1.707 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CC1(O)CCCCCC1 ZINC000619721833 349872256 /nfs/dbraw/zinc/87/22/56/349872256.db2.gz ITWULFWVMNSGBR-LBPRGKRZSA-N 1 2 255.358 1.731 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CC1(O)CCCCCC1 ZINC000619721833 349872258 /nfs/dbraw/zinc/87/22/58/349872258.db2.gz ITWULFWVMNSGBR-LBPRGKRZSA-N 1 2 255.358 1.731 20 30 CDEDLO C[N@@H+](Cc1cscn1)C[C@H](O)CC(C)(C)C#N ZINC000598587581 343835401 /nfs/dbraw/zinc/83/54/01/343835401.db2.gz RVBUNUFBRDJLNX-LLVKDONJSA-N 1 2 253.371 1.876 20 30 CDEDLO C[N@H+](Cc1cscn1)C[C@H](O)CC(C)(C)C#N ZINC000598587581 343835404 /nfs/dbraw/zinc/83/54/04/343835404.db2.gz RVBUNUFBRDJLNX-LLVKDONJSA-N 1 2 253.371 1.876 20 30 CDEDLO COC(=O)[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C(C)(C)C ZINC000598597542 343841400 /nfs/dbraw/zinc/84/14/00/343841400.db2.gz GMVCKMTZNNGLJR-QWRGUYRKSA-N 1 2 270.373 1.464 20 30 CDEDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598628413 343848526 /nfs/dbraw/zinc/84/85/26/343848526.db2.gz TYURCUNDFYTBRI-OUAUKWLOSA-N 1 2 294.317 1.939 20 30 CDEDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598628413 343848527 /nfs/dbraw/zinc/84/85/27/343848527.db2.gz TYURCUNDFYTBRI-OUAUKWLOSA-N 1 2 294.317 1.939 20 30 CDEDLO CN(CC[NH+]1CCOCC1)C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000333203610 529911192 /nfs/dbraw/zinc/91/11/92/529911192.db2.gz OEOLUQBSFHZQTL-INIZCTEOSA-N 1 2 291.395 1.251 20 30 CDEDLO N#Cc1ccc(CCC(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000598946228 343925968 /nfs/dbraw/zinc/92/59/68/343925968.db2.gz FZQRIKODNRSCLC-HNNXBMFYSA-N 1 2 294.358 1.819 20 30 CDEDLO C[N@@H+]1CCOC[C@H]1CNc1cc(C#N)c2ccccc2n1 ZINC000599160953 343971229 /nfs/dbraw/zinc/97/12/29/343971229.db2.gz MPUGQBNXDWZVRU-CYBMUJFWSA-N 1 2 282.347 1.271 20 30 CDEDLO C[N@H+]1CCOC[C@H]1CNc1cc(C#N)c2ccccc2n1 ZINC000599160953 343971232 /nfs/dbraw/zinc/97/12/32/343971232.db2.gz MPUGQBNXDWZVRU-CYBMUJFWSA-N 1 2 282.347 1.271 20 30 CDEDLO C[N@H+](Cc1cn[nH]c1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000085825437 344161581 /nfs/dbraw/zinc/16/15/81/344161581.db2.gz DTFNGROROZGONY-UHFFFAOYSA-N 1 2 294.318 1.963 20 30 CDEDLO C[N@@H+](Cc1cn[nH]c1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000085825437 344161584 /nfs/dbraw/zinc/16/15/84/344161584.db2.gz DTFNGROROZGONY-UHFFFAOYSA-N 1 2 294.318 1.963 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000085826056 344161888 /nfs/dbraw/zinc/16/18/88/344161888.db2.gz NGKUISGTXAZPNS-BXUZGUMPSA-N 1 2 277.372 1.284 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000085826056 344161889 /nfs/dbraw/zinc/16/18/89/344161889.db2.gz NGKUISGTXAZPNS-BXUZGUMPSA-N 1 2 277.372 1.284 20 30 CDEDLO CCOc1ccccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000573657876 334955276 /nfs/dbraw/zinc/95/52/76/334955276.db2.gz FCZJTMVIADRRKZ-OAHLLOKOSA-N 1 2 275.352 1.659 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccc(F)c(Cl)c1 ZINC000602334375 344403315 /nfs/dbraw/zinc/40/33/15/344403315.db2.gz QQKHTWAPSLRRMS-CQSZACIVSA-N 1 2 297.761 1.982 20 30 CDEDLO N#Cc1cccc(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC000265524187 362444501 /nfs/dbraw/zinc/44/45/01/362444501.db2.gz MPEMOVVSWMXFHE-UHFFFAOYSA-N 1 2 253.309 1.991 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccccc1C#N ZINC000602861903 344617482 /nfs/dbraw/zinc/61/74/82/344617482.db2.gz IBCKRCBJNDAJGP-GHMZBOCLSA-N 1 2 256.309 1.777 20 30 CDEDLO COc1cccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N)c1 ZINC000602865496 344638227 /nfs/dbraw/zinc/63/82/27/344638227.db2.gz YMVNKJVNYBXBCW-NWDGAFQWSA-N 1 2 275.352 1.592 20 30 CDEDLO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)CC#N)c1 ZINC000602869056 344640017 /nfs/dbraw/zinc/64/00/17/344640017.db2.gz LWWXDWSOQFWCBP-MNOVXSKESA-N 1 2 288.351 1.265 20 30 CDEDLO COc1ccc(NC(=O)C[NH2+][C@@H](C)CC#N)cc1OC ZINC000602869888 344640656 /nfs/dbraw/zinc/64/06/56/344640656.db2.gz QHHIEOSWOMYLRQ-JTQLQIEISA-N 1 2 277.324 1.534 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000602869780 344640742 /nfs/dbraw/zinc/64/07/42/344640742.db2.gz OSMRDYAMOVYOIF-IUCAKERBSA-N 1 2 266.732 1.954 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cccc([N+](=O)[O-])c2C)nn1 ZINC000603197930 344731467 /nfs/dbraw/zinc/73/14/67/344731467.db2.gz PHVGYASWSBXWRJ-UHFFFAOYSA-N 1 2 299.334 1.656 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2cccc(C#N)c2)nn1 ZINC000603235195 344742533 /nfs/dbraw/zinc/74/25/33/344742533.db2.gz PILPIFDKVKMUDP-CYBMUJFWSA-N 1 2 279.347 1.872 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(CC(=O)N(CC)CC)CC1 ZINC000051708190 345177253 /nfs/dbraw/zinc/17/72/53/345177253.db2.gz IYGMNJJRHKTUJJ-UHFFFAOYSA-N 1 2 287.835 1.615 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(CC(=O)N(CC)CC)CC1 ZINC000051708190 345177256 /nfs/dbraw/zinc/17/72/56/345177256.db2.gz IYGMNJJRHKTUJJ-UHFFFAOYSA-N 1 2 287.835 1.615 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(O)cc3)CC2)nc1 ZINC000618903834 345443321 /nfs/dbraw/zinc/44/33/21/345443321.db2.gz BCMVLSNVCIYCSC-UHFFFAOYSA-N 1 2 294.358 1.981 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617722868 345935026 /nfs/dbraw/zinc/93/50/26/345935026.db2.gz GHSBSDMGYZPNHB-OLZOCXBDSA-N 1 2 268.401 1.814 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617722868 345935028 /nfs/dbraw/zinc/93/50/28/345935028.db2.gz GHSBSDMGYZPNHB-OLZOCXBDSA-N 1 2 268.401 1.814 20 30 CDEDLO CC#CCCCC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619883497 349942996 /nfs/dbraw/zinc/94/29/96/349942996.db2.gz LDWCXVJFNOEUEG-UHFFFAOYSA-N 1 2 292.423 1.751 20 30 CDEDLO Cn1cnnc1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104716363 346548808 /nfs/dbraw/zinc/54/88/08/346548808.db2.gz LFYVZOWSBRCXGW-UHFFFAOYSA-N 1 2 297.362 1.730 20 30 CDEDLO CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611174789 346627673 /nfs/dbraw/zinc/62/76/73/346627673.db2.gz MXKBJSSDLYZJQL-KGLIPLIRSA-N 1 2 280.416 1.211 20 30 CDEDLO N#CCCN1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000611174995 346628687 /nfs/dbraw/zinc/62/86/87/346628687.db2.gz QWEWCGTXTLQHCK-UHFFFAOYSA-N 1 2 272.327 1.729 20 30 CDEDLO Cn1cc[nH+]c1[C@H](Nc1ccc(C#N)nn1)c1ccccc1 ZINC000611239165 346705483 /nfs/dbraw/zinc/70/54/83/346705483.db2.gz KQHVBBKCYUVDMM-OAHLLOKOSA-N 1 2 290.330 1.705 20 30 CDEDLO N#CC1(CN2CCC[N@H+](CC3(C#N)CC3)CC2)CC1 ZINC000611428972 346786908 /nfs/dbraw/zinc/78/69/08/346786908.db2.gz OZSYMNYLZPZEBD-UHFFFAOYSA-N 1 2 258.369 1.602 20 30 CDEDLO N#CC1(CN2CCC[N@@H+](CC3(C#N)CC3)CC2)CC1 ZINC000611428972 346786912 /nfs/dbraw/zinc/78/69/12/346786912.db2.gz OZSYMNYLZPZEBD-UHFFFAOYSA-N 1 2 258.369 1.602 20 30 CDEDLO C=C[C@@H](O)C(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000612995118 347360043 /nfs/dbraw/zinc/36/00/43/347360043.db2.gz VZFGHPNFBMQBMS-CZUORRHYSA-N 1 2 299.374 1.883 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000448617228 347472192 /nfs/dbraw/zinc/47/21/92/347472192.db2.gz FNKMCOZQUJCDET-CABCVRRESA-N 1 2 290.363 1.515 20 30 CDEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)c2cnccn2)CC1 ZINC000613450170 347735885 /nfs/dbraw/zinc/73/58/85/347735885.db2.gz RKDZAOBHUQRCBY-UKRRQHHQSA-N 1 2 273.384 1.703 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(CCC)n[nH]2)C1 ZINC001043502333 684682146 /nfs/dbraw/zinc/68/21/46/684682146.db2.gz VJFJHRHEAWDYHS-UHFFFAOYSA-N 1 2 274.368 1.142 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000614667621 348189627 /nfs/dbraw/zinc/18/96/27/348189627.db2.gz DNINNHNCMXXLLY-GFCCVEGCSA-N 1 2 292.383 1.610 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000614667621 348189629 /nfs/dbraw/zinc/18/96/29/348189629.db2.gz DNINNHNCMXXLLY-GFCCVEGCSA-N 1 2 292.383 1.610 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000619719687 348191645 /nfs/dbraw/zinc/19/16/45/348191645.db2.gz UPFWBBXKXGNKBV-YNEHKIRRSA-N 1 2 263.341 1.494 20 30 CDEDLO C=C[C@H](C(=O)OC)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000619719687 348191652 /nfs/dbraw/zinc/19/16/52/348191652.db2.gz UPFWBBXKXGNKBV-YNEHKIRRSA-N 1 2 263.341 1.494 20 30 CDEDLO CC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)c(F)c1 ZINC000414136929 362922518 /nfs/dbraw/zinc/92/25/18/362922518.db2.gz JGJSFGJVZSOWCW-ZDUSSCGKSA-N 1 2 294.326 1.613 20 30 CDEDLO CC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c(F)c1 ZINC000414136929 362922526 /nfs/dbraw/zinc/92/25/26/362922526.db2.gz JGJSFGJVZSOWCW-ZDUSSCGKSA-N 1 2 294.326 1.613 20 30 CDEDLO Cc1ccnc(N[C@H](C)C[NH+]2CCN(C)CC2)c1C#N ZINC000273418716 192144540 /nfs/dbraw/zinc/14/45/40/192144540.db2.gz YSSFJIGJWXBLMT-CYBMUJFWSA-N 1 2 273.384 1.310 20 30 CDEDLO CCC1(O)CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000072724291 349131057 /nfs/dbraw/zinc/13/10/57/349131057.db2.gz LMTISEBIZSIUNA-UHFFFAOYSA-N 1 2 293.392 1.795 20 30 CDEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H](CO)C2)c1C#N ZINC000091070189 349309265 /nfs/dbraw/zinc/30/92/65/349309265.db2.gz NHYWLOQSMSYMHM-AWEZNQCLSA-N 1 2 296.374 1.867 20 30 CDEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H](CO)C2)c1C#N ZINC000091070189 349309270 /nfs/dbraw/zinc/30/92/70/349309270.db2.gz NHYWLOQSMSYMHM-AWEZNQCLSA-N 1 2 296.374 1.867 20 30 CDEDLO C=CCC1(NC(=O)CCCn2cc[nH+]c2)CCOCC1 ZINC000618247259 349415122 /nfs/dbraw/zinc/41/51/22/349415122.db2.gz ORBJNSOCMAIGFA-UHFFFAOYSA-N 1 2 277.368 1.905 20 30 CDEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)n2)C[C@@H](C2CC2)O1 ZINC000602646526 350136524 /nfs/dbraw/zinc/13/65/24/350136524.db2.gz ASWDBDCEIPBNSX-NHYWBVRUSA-N 1 2 257.337 1.953 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)n2)C[C@@H](C2CC2)O1 ZINC000602646526 350136529 /nfs/dbraw/zinc/13/65/29/350136529.db2.gz ASWDBDCEIPBNSX-NHYWBVRUSA-N 1 2 257.337 1.953 20 30 CDEDLO COCc1cc(C#N)ccc1NCC[NH+]1CCOCC1 ZINC000603267990 350242403 /nfs/dbraw/zinc/24/24/03/350242403.db2.gz PAVMPHXBXKOAND-UHFFFAOYSA-N 1 2 275.352 1.449 20 30 CDEDLO C=C[C@H](CO)NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000620591815 350269173 /nfs/dbraw/zinc/26/91/73/350269173.db2.gz UNLJEYMALIVKNJ-BDAKNGLRSA-N 1 2 291.273 1.119 20 30 CDEDLO Cc1cc(C#N)ccc1Cn1cc[nH+]c1CN1CCOCC1 ZINC000603420560 350288078 /nfs/dbraw/zinc/28/80/78/350288078.db2.gz NPPKODNUWKHOCW-UHFFFAOYSA-N 1 2 296.374 1.944 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1nncn1C ZINC000311930081 350732050 /nfs/dbraw/zinc/73/20/50/350732050.db2.gz GDPHMWVVKFKGJZ-UHFFFAOYSA-N 1 2 255.325 1.627 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@H+](C)Cc1nncn1C ZINC000311930081 350732054 /nfs/dbraw/zinc/73/20/54/350732054.db2.gz GDPHMWVVKFKGJZ-UHFFFAOYSA-N 1 2 255.325 1.627 20 30 CDEDLO CCO[C@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000115598253 350946394 /nfs/dbraw/zinc/94/63/94/350946394.db2.gz XLDQIBANXKJHHT-GJZGRUSLSA-N 1 2 287.363 1.586 20 30 CDEDLO CCO[C@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000115598253 350946397 /nfs/dbraw/zinc/94/63/97/350946397.db2.gz XLDQIBANXKJHHT-GJZGRUSLSA-N 1 2 287.363 1.586 20 30 CDEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ncc[nH]3)C2)nc1 ZINC000292078537 198154737 /nfs/dbraw/zinc/15/47/37/198154737.db2.gz DIUFBSPTVDGSBM-LBPRGKRZSA-N 1 2 269.308 1.330 20 30 CDEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ncc[nH]3)C2)nc1 ZINC000292078537 198154738 /nfs/dbraw/zinc/15/47/38/198154738.db2.gz DIUFBSPTVDGSBM-LBPRGKRZSA-N 1 2 269.308 1.330 20 30 CDEDLO N#Cc1ccc(O[C@H]2CCN(Cc3[nH]cc[nH+]3)C2)nc1 ZINC000292078537 198154740 /nfs/dbraw/zinc/15/47/40/198154740.db2.gz DIUFBSPTVDGSBM-LBPRGKRZSA-N 1 2 269.308 1.330 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)N(C)Cc1[nH+]ccn1C ZINC000271848201 191364177 /nfs/dbraw/zinc/36/41/77/191364177.db2.gz VZZMBZSZTDZPBT-UHFFFAOYSA-N 1 2 299.334 1.964 20 30 CDEDLO Cc1cc(NCc2cn(C(C)C)nn2)c(C#N)c[nH+]1 ZINC000578248113 356305407 /nfs/dbraw/zinc/30/54/07/356305407.db2.gz VCKGXZLOZILXIG-UHFFFAOYSA-N 1 2 256.313 1.468 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000298857162 356935558 /nfs/dbraw/zinc/93/55/58/356935558.db2.gz FSZBWBKWMJSBDU-UWVGGRQHSA-N 1 2 266.291 1.753 20 30 CDEDLO C#CC[N@H+](CC(=O)NCC=C)Cc1ccc(F)cc1 ZINC000299368577 357047408 /nfs/dbraw/zinc/04/74/08/357047408.db2.gz XGTDXJRZTODXDB-UHFFFAOYSA-N 1 2 260.312 1.563 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCC=C)Cc1ccc(F)cc1 ZINC000299368577 357047411 /nfs/dbraw/zinc/04/74/11/357047411.db2.gz XGTDXJRZTODXDB-UHFFFAOYSA-N 1 2 260.312 1.563 20 30 CDEDLO N#CC1(C(=O)NCC2CC[NH+](CC(F)F)CC2)CCC1 ZINC000556941328 357253792 /nfs/dbraw/zinc/25/37/92/357253792.db2.gz LIJHWRAUMYKRPE-UHFFFAOYSA-N 1 2 285.338 1.774 20 30 CDEDLO C[C@@H](c1cnccn1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000184467890 357485466 /nfs/dbraw/zinc/48/54/66/357485466.db2.gz ZUDCLENABWNIIQ-ZDUSSCGKSA-N 1 2 294.362 1.626 20 30 CDEDLO COCC1=CC[N@H+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000185870716 357587347 /nfs/dbraw/zinc/58/73/47/357587347.db2.gz KZNCQPKNCMQQNS-UHFFFAOYSA-N 1 2 285.347 1.775 20 30 CDEDLO COCC1=CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000185870716 357587353 /nfs/dbraw/zinc/58/73/53/357587353.db2.gz KZNCQPKNCMQQNS-UHFFFAOYSA-N 1 2 285.347 1.775 20 30 CDEDLO N#Cc1ccc(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)s1 ZINC000335493968 357918928 /nfs/dbraw/zinc/91/89/28/357918928.db2.gz ATNORQZFJAXQEG-JTQLQIEISA-N 1 2 286.360 1.695 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nncn1C ZINC000287007008 358079251 /nfs/dbraw/zinc/07/92/51/358079251.db2.gz QKXOVCSYRFQROV-NSHDSACASA-N 1 2 255.325 1.880 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nncn1C ZINC000287007008 358079254 /nfs/dbraw/zinc/07/92/54/358079254.db2.gz QKXOVCSYRFQROV-NSHDSACASA-N 1 2 255.325 1.880 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000337990526 358657141 /nfs/dbraw/zinc/65/71/41/358657141.db2.gz GVMKCVKGRHEDNP-GJZGRUSLSA-N 1 2 285.347 1.022 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000337990526 358657145 /nfs/dbraw/zinc/65/71/45/358657145.db2.gz GVMKCVKGRHEDNP-GJZGRUSLSA-N 1 2 285.347 1.022 20 30 CDEDLO N#CCOc1ccc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000493561968 366464784 /nfs/dbraw/zinc/46/47/84/366464784.db2.gz AYHCVRVFMSFACV-ZDUSSCGKSA-N 1 2 287.319 1.225 20 30 CDEDLO N#CCOc1ccc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000493561968 366464789 /nfs/dbraw/zinc/46/47/89/366464789.db2.gz AYHCVRVFMSFACV-ZDUSSCGKSA-N 1 2 287.319 1.225 20 30 CDEDLO C=CCN(CCOC)C(=O)/C=C\c1[nH+]ccn1CC ZINC000493724562 366490230 /nfs/dbraw/zinc/49/02/30/366490230.db2.gz MQIVQANLABFSMA-SREVYHEPSA-N 1 2 263.341 1.577 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2ncsc2C1 ZINC000346989695 359125832 /nfs/dbraw/zinc/12/58/32/359125832.db2.gz SGJGSPBTHPTQAA-JTQLQIEISA-N 1 2 290.392 1.452 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2ncsc2C1 ZINC000346989695 359125837 /nfs/dbraw/zinc/12/58/37/359125837.db2.gz SGJGSPBTHPTQAA-JTQLQIEISA-N 1 2 290.392 1.452 20 30 CDEDLO Cc1nsc(NCC[N@@H+]2CCOCC2(C)C)c1C#N ZINC000287960497 359140312 /nfs/dbraw/zinc/14/03/12/359140312.db2.gz QXIUUCTWIZBSGZ-UHFFFAOYSA-N 1 2 280.397 1.846 20 30 CDEDLO Cc1nsc(NCC[N@H+]2CCOCC2(C)C)c1C#N ZINC000287960497 359140324 /nfs/dbraw/zinc/14/03/24/359140324.db2.gz QXIUUCTWIZBSGZ-UHFFFAOYSA-N 1 2 280.397 1.846 20 30 CDEDLO C=CCCS(=O)(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000268829066 359364946 /nfs/dbraw/zinc/36/49/46/359364946.db2.gz DQKAODPPQOGKFZ-UHFFFAOYSA-N 1 2 279.365 1.638 20 30 CDEDLO CC#CCNC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000270706648 359411076 /nfs/dbraw/zinc/41/10/76/359411076.db2.gz JXCMZQRMWUYLMF-UHFFFAOYSA-N 1 2 256.309 1.465 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCc1ccc(F)cc1)C1CC1 ZINC000274206927 359494852 /nfs/dbraw/zinc/49/48/52/359494852.db2.gz SMCJADKGTBETHG-UHFFFAOYSA-N 1 2 260.312 1.540 20 30 CDEDLO C#CC[N@H+](CC(=O)NCc1ccc(F)cc1)C1CC1 ZINC000274206927 359494855 /nfs/dbraw/zinc/49/48/55/359494855.db2.gz SMCJADKGTBETHG-UHFFFAOYSA-N 1 2 260.312 1.540 20 30 CDEDLO C=C(C)CS(=O)(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000274931119 359524582 /nfs/dbraw/zinc/52/45/82/359524582.db2.gz LHSRJGHXMPTKKK-UHFFFAOYSA-N 1 2 269.370 1.143 20 30 CDEDLO C[N@H+](CCCSCC#N)Cc1nnc2n1CCC2 ZINC000531494524 359689181 /nfs/dbraw/zinc/68/91/81/359689181.db2.gz JFTICKHJZXFIPS-UHFFFAOYSA-N 1 2 265.386 1.303 20 30 CDEDLO C[N@@H+](CCCSCC#N)Cc1nnc2n1CCC2 ZINC000531494524 359689183 /nfs/dbraw/zinc/68/91/83/359689183.db2.gz JFTICKHJZXFIPS-UHFFFAOYSA-N 1 2 265.386 1.303 20 30 CDEDLO CC[N@H+](CCCO)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000135648906 359822667 /nfs/dbraw/zinc/82/26/67/359822667.db2.gz ISFUYQXBBNXYPM-UHFFFAOYSA-N 1 2 296.392 1.036 20 30 CDEDLO CC[N@@H+](CCCO)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000135648906 359822670 /nfs/dbraw/zinc/82/26/70/359822670.db2.gz ISFUYQXBBNXYPM-UHFFFAOYSA-N 1 2 296.392 1.036 20 30 CDEDLO Cc1noc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)n1 ZINC000348093346 359828002 /nfs/dbraw/zinc/82/80/02/359828002.db2.gz SODIEQQCBNWZAO-PKFCDNJMSA-N 1 2 293.371 1.472 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001030711310 684850931 /nfs/dbraw/zinc/85/09/31/684850931.db2.gz IJJPKVAXPHJAGG-OLZOCXBDSA-N 1 2 252.358 1.178 20 30 CDEDLO C=CCOCCC[N@@H+](C)Cc1ncnn1CC(F)F ZINC000348167116 359868482 /nfs/dbraw/zinc/86/84/82/359868482.db2.gz IPNRDKVMRZFPQL-UHFFFAOYSA-N 1 2 274.315 1.568 20 30 CDEDLO C=CCOCCC[N@H+](C)Cc1ncnn1CC(F)F ZINC000348167116 359868484 /nfs/dbraw/zinc/86/84/84/359868484.db2.gz IPNRDKVMRZFPQL-UHFFFAOYSA-N 1 2 274.315 1.568 20 30 CDEDLO C[C@H](C#N)CN(CC[N@@H+]1CCOC[C@@H]1C)C1CC1 ZINC000337172295 360007965 /nfs/dbraw/zinc/00/79/65/360007965.db2.gz FHVUKJOMQRHZBB-OLZOCXBDSA-N 1 2 251.374 1.331 20 30 CDEDLO C[C@H](C#N)CN(CC[N@H+]1CCOC[C@@H]1C)C1CC1 ZINC000337172295 360007968 /nfs/dbraw/zinc/00/79/68/360007968.db2.gz FHVUKJOMQRHZBB-OLZOCXBDSA-N 1 2 251.374 1.331 20 30 CDEDLO C[C@H](C#N)C[N@H+](CCN1CCOC[C@@H]1C)C1CC1 ZINC000337172295 360007973 /nfs/dbraw/zinc/00/79/73/360007973.db2.gz FHVUKJOMQRHZBB-OLZOCXBDSA-N 1 2 251.374 1.331 20 30 CDEDLO C[C@H](C#N)C[N@@H+](CCN1CCOC[C@@H]1C)C1CC1 ZINC000337172295 360007976 /nfs/dbraw/zinc/00/79/76/360007976.db2.gz FHVUKJOMQRHZBB-OLZOCXBDSA-N 1 2 251.374 1.331 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2OC)C1=O ZINC000337200077 360020531 /nfs/dbraw/zinc/02/05/31/360020531.db2.gz BMIFRBAGCNSPAW-HNNXBMFYSA-N 1 2 299.374 1.786 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2OC)C1=O ZINC000337200077 360020536 /nfs/dbraw/zinc/02/05/36/360020536.db2.gz BMIFRBAGCNSPAW-HNNXBMFYSA-N 1 2 299.374 1.786 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1ccnn1C ZINC000348365667 360029399 /nfs/dbraw/zinc/02/93/99/360029399.db2.gz OJMXWQSKAQTZTL-UHFFFAOYSA-N 1 2 262.357 1.053 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1ccnn1C ZINC000348365667 360029403 /nfs/dbraw/zinc/02/94/03/360029403.db2.gz OJMXWQSKAQTZTL-UHFFFAOYSA-N 1 2 262.357 1.053 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](CCOC)Cc2cncs2)C1=O ZINC000337253125 360046007 /nfs/dbraw/zinc/04/60/07/360046007.db2.gz RWLYTGNSWQVBTJ-ZDUSSCGKSA-N 1 2 295.408 1.378 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](CCOC)Cc2cncs2)C1=O ZINC000337253125 360046009 /nfs/dbraw/zinc/04/60/09/360046009.db2.gz RWLYTGNSWQVBTJ-ZDUSSCGKSA-N 1 2 295.408 1.378 20 30 CDEDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000176821344 189010570 /nfs/dbraw/zinc/01/05/70/189010570.db2.gz FBOHYDVKFKXPHA-ZDUSSCGKSA-N 1 2 261.300 1.408 20 30 CDEDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000176821344 189010571 /nfs/dbraw/zinc/01/05/71/189010571.db2.gz FBOHYDVKFKXPHA-ZDUSSCGKSA-N 1 2 261.300 1.408 20 30 CDEDLO N#CCC[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000516050103 360554923 /nfs/dbraw/zinc/55/49/23/360554923.db2.gz MQPPQFIQODXVOK-UHFFFAOYSA-N 1 2 256.302 1.103 20 30 CDEDLO Cn1cc(C[N@@H+]2CCOc3cc(O)ccc3C2)cc1C#N ZINC000289731832 360720697 /nfs/dbraw/zinc/72/06/97/360720697.db2.gz PVGUZCNQTPAJDR-UHFFFAOYSA-N 1 2 283.331 1.997 20 30 CDEDLO Cn1cc(C[N@H+]2CCOc3cc(O)ccc3C2)cc1C#N ZINC000289731832 360720700 /nfs/dbraw/zinc/72/07/00/360720700.db2.gz PVGUZCNQTPAJDR-UHFFFAOYSA-N 1 2 283.331 1.997 20 30 CDEDLO CC#CC[NH+]1CCN(CC(=O)Nc2ccccc2CC)CC1 ZINC000157419864 360869751 /nfs/dbraw/zinc/86/97/51/360869751.db2.gz GSOXORGARWRLKY-UHFFFAOYSA-N 1 2 299.418 1.828 20 30 CDEDLO CC(C)CO[C@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000563219989 360897236 /nfs/dbraw/zinc/89/72/36/360897236.db2.gz CZKBWFFLZNLMHJ-YPMHNXCESA-N 1 2 255.362 1.008 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338628298 360949038 /nfs/dbraw/zinc/94/90/38/360949038.db2.gz ZJIULPQXNDWKQQ-GXTWGEPZSA-N 1 2 272.364 1.206 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@](F)(CO)C1 ZINC000338628298 360949043 /nfs/dbraw/zinc/94/90/43/360949043.db2.gz ZJIULPQXNDWKQQ-GXTWGEPZSA-N 1 2 272.364 1.206 20 30 CDEDLO CC(=O)N1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000034674127 360963703 /nfs/dbraw/zinc/96/37/03/360963703.db2.gz STOKDQLNAPHTQN-UHFFFAOYSA-N 1 2 273.336 1.101 20 30 CDEDLO C=CCCOCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000673841716 482853349 /nfs/dbraw/zinc/85/33/49/482853349.db2.gz FCRVFFXZEFYTHI-LBPRGKRZSA-N 1 2 251.330 1.228 20 30 CDEDLO CN(CCC#N)C(=O)CC[N@H+](C)Cc1nccn1C(F)F ZINC000131110153 361046224 /nfs/dbraw/zinc/04/62/24/361046224.db2.gz QYTOHHYCMQOXBV-UHFFFAOYSA-N 1 2 299.325 1.472 20 30 CDEDLO CN(CCC#N)C(=O)CC[N@@H+](C)Cc1nccn1C(F)F ZINC000131110153 361046226 /nfs/dbraw/zinc/04/62/26/361046226.db2.gz QYTOHHYCMQOXBV-UHFFFAOYSA-N 1 2 299.325 1.472 20 30 CDEDLO C=CCOCC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000432864587 361196702 /nfs/dbraw/zinc/19/67/02/361196702.db2.gz HXLSZTLRHCORTK-UHFFFAOYSA-N 1 2 291.351 1.368 20 30 CDEDLO C[N@H+](CCC#N)C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000496211520 366707946 /nfs/dbraw/zinc/70/79/46/366707946.db2.gz FXWOXZCHBCCIST-CYBMUJFWSA-N 1 2 271.361 1.108 20 30 CDEDLO C[N@@H+](CCC#N)C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000496211520 366707950 /nfs/dbraw/zinc/70/79/50/366707950.db2.gz FXWOXZCHBCCIST-CYBMUJFWSA-N 1 2 271.361 1.108 20 30 CDEDLO C=C(C)CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000154361999 361411167 /nfs/dbraw/zinc/41/11/67/361411167.db2.gz NSVYZJLBIMXQHP-UHFFFAOYSA-N 1 2 274.364 1.825 20 30 CDEDLO CCOC1CC(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000329384433 361495330 /nfs/dbraw/zinc/49/53/30/361495330.db2.gz PJZPOWCLBMFKPD-CXQJBGSLSA-N 1 2 263.341 1.970 20 30 CDEDLO CN(C)c1nccc(C[NH2+]Cc2ccc(C#N)cc2F)n1 ZINC000345702994 361552083 /nfs/dbraw/zinc/55/20/83/361552083.db2.gz VOJIXVXRBQWXGF-UHFFFAOYSA-N 1 2 285.326 1.843 20 30 CDEDLO COC(=O)c1cccc(C[N@H+](CCC#N)CC2CC2)n1 ZINC000562587560 361630571 /nfs/dbraw/zinc/63/05/71/361630571.db2.gz CRSNVLXANUVULH-UHFFFAOYSA-N 1 2 273.336 1.994 20 30 CDEDLO COC(=O)c1cccc(C[N@@H+](CCC#N)CC2CC2)n1 ZINC000562587560 361630574 /nfs/dbraw/zinc/63/05/74/361630574.db2.gz CRSNVLXANUVULH-UHFFFAOYSA-N 1 2 273.336 1.994 20 30 CDEDLO CC#CC[N@@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000159579036 361721770 /nfs/dbraw/zinc/72/17/70/361721770.db2.gz XGPIRHZBMHXDIO-UHFFFAOYSA-N 1 2 292.404 1.406 20 30 CDEDLO CC#CC[N@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000159579036 361721774 /nfs/dbraw/zinc/72/17/74/361721774.db2.gz XGPIRHZBMHXDIO-UHFFFAOYSA-N 1 2 292.404 1.406 20 30 CDEDLO C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C(F)(F)F ZINC000570849939 364031387 /nfs/dbraw/zinc/03/13/87/364031387.db2.gz SYSOQUOSYZZRCD-APPZFPTMSA-N 1 2 251.252 1.145 20 30 CDEDLO N#C[C@@H]1[N@H+](CC[C@@H]2CCNC2=O)CCC[C@@]12CCCCO2 ZINC000580090675 364607730 /nfs/dbraw/zinc/60/77/30/364607730.db2.gz GBPNEJTYKGKHIP-DZKIICNBSA-N 1 2 291.395 1.440 20 30 CDEDLO N#C[C@@H]1[N@@H+](CC[C@@H]2CCNC2=O)CCC[C@@]12CCCCO2 ZINC000580090675 364607733 /nfs/dbraw/zinc/60/77/33/364607733.db2.gz GBPNEJTYKGKHIP-DZKIICNBSA-N 1 2 291.395 1.440 20 30 CDEDLO CCOC(=O)C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000268632895 365169090 /nfs/dbraw/zinc/16/90/90/365169090.db2.gz CAKSOVBKNUUHSU-OAHLLOKOSA-N 1 2 288.347 1.619 20 30 CDEDLO CCOC(=O)C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000268632895 365169097 /nfs/dbraw/zinc/16/90/97/365169097.db2.gz CAKSOVBKNUUHSU-OAHLLOKOSA-N 1 2 288.347 1.619 20 30 CDEDLO C[C@@H]1CCC[C@@H](CO)[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000270525137 366895234 /nfs/dbraw/zinc/89/52/34/366895234.db2.gz UKXCYRRJOKASCN-PWSUYJOCSA-N 1 2 293.392 1.794 20 30 CDEDLO C[C@@H]1CCC[C@@H](CO)[N@H+]1CC(=O)Nc1sccc1C#N ZINC000270525137 366895237 /nfs/dbraw/zinc/89/52/37/366895237.db2.gz UKXCYRRJOKASCN-PWSUYJOCSA-N 1 2 293.392 1.794 20 30 CDEDLO CC[N@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CCNC1=O ZINC000440951243 367179423 /nfs/dbraw/zinc/17/94/23/367179423.db2.gz CYGWVVHIWLAVBI-CYBMUJFWSA-N 1 2 277.755 1.922 20 30 CDEDLO CC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CCNC1=O ZINC000440951243 367179427 /nfs/dbraw/zinc/17/94/27/367179427.db2.gz CYGWVVHIWLAVBI-CYBMUJFWSA-N 1 2 277.755 1.922 20 30 CDEDLO CC(C)(C#N)CC[NH+]1CCN(S(=O)(=O)C2CC2)CC1 ZINC000528614971 367919118 /nfs/dbraw/zinc/91/91/18/367919118.db2.gz POTXHRVTYVYNQS-UHFFFAOYSA-N 1 2 285.413 1.036 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@@H](COCC)C1 ZINC000528715171 367951636 /nfs/dbraw/zinc/95/16/36/367951636.db2.gz BMAYKHGOHIKQJU-LSDHHAIUSA-N 1 2 298.427 1.537 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](COCC)C1 ZINC000528715171 367951640 /nfs/dbraw/zinc/95/16/40/367951640.db2.gz BMAYKHGOHIKQJU-LSDHHAIUSA-N 1 2 298.427 1.537 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)Nc1cc(C)[nH+]cc1C ZINC000539257463 368409504 /nfs/dbraw/zinc/40/95/04/368409504.db2.gz MRLFFUGBAHZRTO-LBPRGKRZSA-N 1 2 263.341 1.426 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1nnc(C)o1 ZINC000543543475 368927555 /nfs/dbraw/zinc/92/75/55/368927555.db2.gz UCCABEBICKCJQF-JTQLQIEISA-N 1 2 266.345 1.453 20 30 CDEDLO C[C@@H](C#N)CNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000567420264 370984597 /nfs/dbraw/zinc/98/45/97/370984597.db2.gz JHDOBOKVYBTIBA-LBPRGKRZSA-N 1 2 292.408 1.735 20 30 CDEDLO C=CCC[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000276427726 193325678 /nfs/dbraw/zinc/32/56/78/193325678.db2.gz NETVETNFHVVUAH-UHFFFAOYSA-N 1 2 298.364 1.876 20 30 CDEDLO C=CCC[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000276427726 193325680 /nfs/dbraw/zinc/32/56/80/193325680.db2.gz NETVETNFHVVUAH-UHFFFAOYSA-N 1 2 298.364 1.876 20 30 CDEDLO N#CCC[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000369002208 369663844 /nfs/dbraw/zinc/66/38/44/369663844.db2.gz MVLDCDLXNWVMCZ-LBPRGKRZSA-N 1 2 258.325 1.646 20 30 CDEDLO N#CCC[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000369002208 369663848 /nfs/dbraw/zinc/66/38/48/369663848.db2.gz MVLDCDLXNWVMCZ-LBPRGKRZSA-N 1 2 258.325 1.646 20 30 CDEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C2(C#N)CCC2)C1 ZINC000120422565 370397935 /nfs/dbraw/zinc/39/79/35/370397935.db2.gz GRSLNDIFVFEUCJ-ZDUSSCGKSA-N 1 2 286.379 1.895 20 30 CDEDLO C=C(C)CCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000582312183 370411737 /nfs/dbraw/zinc/41/17/37/370411737.db2.gz MXMCJPIUPOABBH-UHFFFAOYSA-N 1 2 287.363 1.518 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1cccc(COC)c1 ZINC000567624209 371070533 /nfs/dbraw/zinc/07/05/33/371070533.db2.gz IRMLCZKMIBHYQS-OAHLLOKOSA-N 1 2 289.379 1.731 20 30 CDEDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)CC1 ZINC000331649899 204042212 /nfs/dbraw/zinc/04/22/12/204042212.db2.gz OLENVVSLKGNQLP-ZDUSSCGKSA-N 1 2 282.365 1.550 20 30 CDEDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)o2)CC1 ZINC000331649899 204042214 /nfs/dbraw/zinc/04/22/14/204042214.db2.gz OLENVVSLKGNQLP-ZDUSSCGKSA-N 1 2 282.365 1.550 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000567812348 371154672 /nfs/dbraw/zinc/15/46/72/371154672.db2.gz SUCYCRXKUMKJQV-HNNXBMFYSA-N 1 2 280.412 1.912 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000567812348 371154676 /nfs/dbraw/zinc/15/46/76/371154676.db2.gz SUCYCRXKUMKJQV-HNNXBMFYSA-N 1 2 280.412 1.912 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N(CC#N)C3CC3)ccn12 ZINC000568410548 371224012 /nfs/dbraw/zinc/22/40/12/371224012.db2.gz QEOPXRXIHGZRPF-UHFFFAOYSA-N 1 2 254.293 1.771 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(Cl)ccn1 ZINC000573180914 371451703 /nfs/dbraw/zinc/45/17/03/371451703.db2.gz XQOVEZDKBUKPHA-GFCCVEGCSA-N 1 2 266.732 1.309 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000573868634 371684153 /nfs/dbraw/zinc/68/41/53/371684153.db2.gz JNJVYXIEGNAFLG-AWEZNQCLSA-N 1 2 290.323 1.097 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)N(C)c1nccs1 ZINC000577884367 372159296 /nfs/dbraw/zinc/15/92/96/372159296.db2.gz KQZBPRDQWIYBSQ-SECBINFHSA-N 1 2 252.343 1.388 20 30 CDEDLO C=CCC[NH+]1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000172619951 372407077 /nfs/dbraw/zinc/40/70/77/372407077.db2.gz OVLBXGACSYIDCI-UHFFFAOYSA-N 1 2 299.396 1.174 20 30 CDEDLO C[C@H](C#N)C[NH2+]Cc1ccccc1OCC(=O)N(C)C ZINC000183825265 372644101 /nfs/dbraw/zinc/64/41/01/372644101.db2.gz SHTSSMJJFXKGCZ-GFCCVEGCSA-N 1 2 275.352 1.403 20 30 CDEDLO C=CCCCC(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000175872912 372717585 /nfs/dbraw/zinc/71/75/85/372717585.db2.gz RVSRFNPENQUUNL-GFCCVEGCSA-N 1 2 281.425 1.978 20 30 CDEDLO CCc1nnc(NC[C@@H]2C[N@H+](C)CCO2)c(C#N)c1CC ZINC000120797923 372795398 /nfs/dbraw/zinc/79/53/98/372795398.db2.gz QBCDWZVFLNOHJK-LLVKDONJSA-N 1 2 289.383 1.216 20 30 CDEDLO CCc1nnc(NC[C@@H]2C[N@@H+](C)CCO2)c(C#N)c1CC ZINC000120797923 372795404 /nfs/dbraw/zinc/79/54/04/372795404.db2.gz QBCDWZVFLNOHJK-LLVKDONJSA-N 1 2 289.383 1.216 20 30 CDEDLO N#Cc1cccc(C[NH2+]Cc2nnnn2C2CC2)c1 ZINC000610271775 373050967 /nfs/dbraw/zinc/05/09/67/373050967.db2.gz CNQRKPGFLAYDCE-UHFFFAOYSA-N 1 2 254.297 1.169 20 30 CDEDLO C=CCC1(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CCC1 ZINC000191293046 373476697 /nfs/dbraw/zinc/47/66/97/373476697.db2.gz OSGFXDPNTGUUSF-KGLIPLIRSA-N 1 2 280.412 1.958 20 30 CDEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000330550267 373705179 /nfs/dbraw/zinc/70/51/79/373705179.db2.gz CBMQLGFZBJZOKU-IUODEOHRSA-N 1 2 287.363 1.456 20 30 CDEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000330550267 373705182 /nfs/dbraw/zinc/70/51/82/373705182.db2.gz CBMQLGFZBJZOKU-IUODEOHRSA-N 1 2 287.363 1.456 20 30 CDEDLO Cc1n[nH]cc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000122970843 373707292 /nfs/dbraw/zinc/70/72/92/373707292.db2.gz YFFOFOCEUHLKBA-UHFFFAOYSA-N 1 2 282.351 1.307 20 30 CDEDLO CN(C)C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC000355068409 373820054 /nfs/dbraw/zinc/82/00/54/373820054.db2.gz MNDBUJKQQDDONX-UHFFFAOYSA-N 1 2 260.341 1.261 20 30 CDEDLO CN(C)C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC000355068409 373820063 /nfs/dbraw/zinc/82/00/63/373820063.db2.gz MNDBUJKQQDDONX-UHFFFAOYSA-N 1 2 260.341 1.261 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3ccno3)CC2)nc1 ZINC000299069917 373886253 /nfs/dbraw/zinc/88/62/53/373886253.db2.gz PKOCESUNBCHESS-UHFFFAOYSA-N 1 2 269.308 1.263 20 30 CDEDLO CO[C@H](C)C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000360210486 374005674 /nfs/dbraw/zinc/00/56/74/374005674.db2.gz YXAMHJLVTYDGAV-DOMZBBRYSA-N 1 2 260.337 1.966 20 30 CDEDLO CO[C@H](C)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000360210486 374005680 /nfs/dbraw/zinc/00/56/80/374005680.db2.gz YXAMHJLVTYDGAV-DOMZBBRYSA-N 1 2 260.337 1.966 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1O ZINC000351812242 374279240 /nfs/dbraw/zinc/27/92/40/374279240.db2.gz PMKMAVPQKWIJOI-TVQRCGJNSA-N 1 2 293.754 1.463 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1O ZINC000351812242 374279249 /nfs/dbraw/zinc/27/92/49/374279249.db2.gz PMKMAVPQKWIJOI-TVQRCGJNSA-N 1 2 293.754 1.463 20 30 CDEDLO COC(=O)c1c(C)[nH]c(-c2csc(NC(N)=[NH2+])n2)c1C ZINC000029456583 374483720 /nfs/dbraw/zinc/48/37/20/374483720.db2.gz NJQRYBRLAQSLTL-UHFFFAOYSA-N 1 2 293.352 1.447 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[S@](=O)C[C@H](C)C2)cc1C#N ZINC000277326922 374782624 /nfs/dbraw/zinc/78/26/24/374782624.db2.gz CKOVQDGJHGMYCB-ODXCJYRJSA-N 1 2 292.404 1.767 20 30 CDEDLO COc1ccc(C[N@H+]2CC[S@](=O)C[C@H](C)C2)cc1C#N ZINC000277326922 374782628 /nfs/dbraw/zinc/78/26/28/374782628.db2.gz CKOVQDGJHGMYCB-ODXCJYRJSA-N 1 2 292.404 1.767 20 30 CDEDLO CC[N@H+](CCS(C)(=O)=O)Cc1ccc(C#N)c(OC)c1 ZINC000282448243 375085329 /nfs/dbraw/zinc/08/53/29/375085329.db2.gz UXKFBKUQFLWUGC-UHFFFAOYSA-N 1 2 296.392 1.433 20 30 CDEDLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccc(C#N)c(OC)c1 ZINC000282448243 375085334 /nfs/dbraw/zinc/08/53/34/375085334.db2.gz UXKFBKUQFLWUGC-UHFFFAOYSA-N 1 2 296.392 1.433 20 30 CDEDLO C=C(C)COCCNC(=O)NCc1c[nH+]ccc1OC ZINC000431289327 375255754 /nfs/dbraw/zinc/25/57/54/375255754.db2.gz FUCHYDXYBPZVAP-UHFFFAOYSA-N 1 2 279.340 1.482 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000047592711 375223983 /nfs/dbraw/zinc/22/39/83/375223983.db2.gz YBUSUSCOGNGHJQ-LBPRGKRZSA-N 1 2 275.352 1.248 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000047592711 375223992 /nfs/dbraw/zinc/22/39/92/375223992.db2.gz YBUSUSCOGNGHJQ-LBPRGKRZSA-N 1 2 275.352 1.248 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCOC(C)(C)C1 ZINC000030195645 375566119 /nfs/dbraw/zinc/56/61/19/375566119.db2.gz WCPXNHMCMDAJER-LBPRGKRZSA-N 1 2 287.363 1.996 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCOC(C)(C)C1 ZINC000030195645 375566127 /nfs/dbraw/zinc/56/61/27/375566127.db2.gz WCPXNHMCMDAJER-LBPRGKRZSA-N 1 2 287.363 1.996 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](C)[C@H]2CO)c(C#N)c1C ZINC000248994170 375670903 /nfs/dbraw/zinc/67/09/03/375670903.db2.gz XQXXUBVFSXMHDP-TVQRCGJNSA-N 1 2 291.351 1.409 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H]2CO)c(C#N)c1C ZINC000248994170 375670909 /nfs/dbraw/zinc/67/09/09/375670909.db2.gz XQXXUBVFSXMHDP-TVQRCGJNSA-N 1 2 291.351 1.409 20 30 CDEDLO N#Cc1nccnc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000269836013 375726623 /nfs/dbraw/zinc/72/66/23/375726623.db2.gz ATFVJRFULNMSJM-LLVKDONJSA-N 1 2 266.308 1.434 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@H](O)C1)CCC2 ZINC000328656839 375910988 /nfs/dbraw/zinc/91/09/88/375910988.db2.gz OFUGFLNIZJBACD-STQMWFEESA-N 1 2 292.383 1.440 20 30 CDEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC[C@@H](O)C1 ZINC000328623533 375900211 /nfs/dbraw/zinc/90/02/11/375900211.db2.gz YYKARBLRNGCBBD-NWDGAFQWSA-N 1 2 278.356 1.131 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)COC2CCCC2)C1 ZINC000328758941 375948216 /nfs/dbraw/zinc/94/82/16/375948216.db2.gz WBKMHQKLKFFPOM-LBPRGKRZSA-N 1 2 256.346 1.233 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNC(=O)COC2CCCC2)C1 ZINC000328758941 375948223 /nfs/dbraw/zinc/94/82/23/375948223.db2.gz WBKMHQKLKFFPOM-LBPRGKRZSA-N 1 2 256.346 1.233 20 30 CDEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC#N)c2C1 ZINC000195453985 375997912 /nfs/dbraw/zinc/99/79/12/375997912.db2.gz WAVKCJQBBQYQCW-UHFFFAOYSA-N 1 2 294.358 1.866 20 30 CDEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCC#N)c2C1 ZINC000195453985 375997920 /nfs/dbraw/zinc/99/79/20/375997920.db2.gz WAVKCJQBBQYQCW-UHFFFAOYSA-N 1 2 294.358 1.866 20 30 CDEDLO CCn1cc[nH+]c1CNC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000295470344 376012599 /nfs/dbraw/zinc/01/25/99/376012599.db2.gz CYGOLTTZJYMOET-UHFFFAOYSA-N 1 2 297.362 1.771 20 30 CDEDLO O=C(N[C@H]1CC[C@H](CO)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328849670 375986310 /nfs/dbraw/zinc/98/63/10/375986310.db2.gz YUMLUIMAUNFVFS-JHJVBQTASA-N 1 2 277.368 1.953 20 30 CDEDLO Cc1cnn(C[C@H]2C[N@H+](Cc3cccc(C#N)c3)CCO2)c1 ZINC000264351359 190104856 /nfs/dbraw/zinc/10/48/56/190104856.db2.gz GVLSLBOUZYIQKC-QGZVFWFLSA-N 1 2 296.374 1.964 20 30 CDEDLO Cc1cnn(C[C@H]2C[N@@H+](Cc3cccc(C#N)c3)CCO2)c1 ZINC000264351359 190104857 /nfs/dbraw/zinc/10/48/57/190104857.db2.gz GVLSLBOUZYIQKC-QGZVFWFLSA-N 1 2 296.374 1.964 20 30 CDEDLO C[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000264398342 190107141 /nfs/dbraw/zinc/10/71/41/190107141.db2.gz GVMSGWHSMPIDFS-ZYHUDNBSSA-N 1 2 293.392 1.794 20 30 CDEDLO C[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000264398342 190107142 /nfs/dbraw/zinc/10/71/42/190107142.db2.gz GVMSGWHSMPIDFS-ZYHUDNBSSA-N 1 2 293.392 1.794 20 30 CDEDLO N#Cc1ccnc(NCc2ccn3cc[nH+]c3c2)c1[N+](=O)[O-] ZINC000354396281 376713125 /nfs/dbraw/zinc/71/31/25/376713125.db2.gz UBUSFUDDMMCGGR-UHFFFAOYSA-N 1 2 294.274 1.543 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](OC)C1 ZINC000435035120 248150908 /nfs/dbraw/zinc/15/09/08/248150908.db2.gz PCENWXNFUAOPBO-ZIAGYGMSSA-N 1 2 274.320 1.493 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](OC)C1 ZINC000435035120 248150910 /nfs/dbraw/zinc/15/09/10/248150910.db2.gz PCENWXNFUAOPBO-ZIAGYGMSSA-N 1 2 274.320 1.493 20 30 CDEDLO C=CCCn1cc(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)nn1 ZINC000571875258 377560613 /nfs/dbraw/zinc/56/06/13/377560613.db2.gz ZWNUALVDVSSIDI-MNOVXSKESA-N 1 2 286.339 1.487 20 30 CDEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000265608345 190192981 /nfs/dbraw/zinc/19/29/81/190192981.db2.gz KUHQCUSRAZOOQF-MTJIALIYSA-N 1 2 292.404 1.778 20 30 CDEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000265608345 190192982 /nfs/dbraw/zinc/19/29/82/190192982.db2.gz KUHQCUSRAZOOQF-MTJIALIYSA-N 1 2 292.404 1.778 20 30 CDEDLO C#CC(C)(C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000265907863 190216476 /nfs/dbraw/zinc/21/64/76/190216476.db2.gz PYFBFKQNTZFORX-OAHLLOKOSA-N 1 2 286.375 1.415 20 30 CDEDLO C#CC(C)(C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000265907863 190216477 /nfs/dbraw/zinc/21/64/77/190216477.db2.gz PYFBFKQNTZFORX-OAHLLOKOSA-N 1 2 286.375 1.415 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000281105438 377984005 /nfs/dbraw/zinc/98/40/05/377984005.db2.gz WIGZZTYFKQOMFF-ZDUSSCGKSA-N 1 2 262.357 1.223 20 30 CDEDLO CC[N@H+](CC#Cc1ccc(Cl)cc1)[C@H]1CCNC1=O ZINC000282357358 378032528 /nfs/dbraw/zinc/03/25/28/378032528.db2.gz MZKHWIVACFWOMS-AWEZNQCLSA-N 1 2 276.767 1.902 20 30 CDEDLO CC[N@@H+](CC#Cc1ccc(Cl)cc1)[C@H]1CCNC1=O ZINC000282357358 378032531 /nfs/dbraw/zinc/03/25/31/378032531.db2.gz MZKHWIVACFWOMS-AWEZNQCLSA-N 1 2 276.767 1.902 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cc(OC)c2c(c1)OCCO2 ZINC000093461420 378078032 /nfs/dbraw/zinc/07/80/32/378078032.db2.gz PNYFIQIVFRYLGG-UHFFFAOYSA-N 1 2 271.316 1.535 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(Cc1ccc(OC)cc1)C1CC1 ZINC000192234940 378178671 /nfs/dbraw/zinc/17/86/71/378178671.db2.gz FOBYTKIPYWGEPV-UHFFFAOYSA-N 1 2 286.375 1.751 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N(Cc1ccc(OC)cc1)C1CC1 ZINC000192234940 378178675 /nfs/dbraw/zinc/17/86/75/378178675.db2.gz FOBYTKIPYWGEPV-UHFFFAOYSA-N 1 2 286.375 1.751 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1conc1CC ZINC000293520087 378579926 /nfs/dbraw/zinc/57/99/26/378579926.db2.gz VXJLMNOGHQGPAR-JTQLQIEISA-N 1 2 294.355 1.069 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1conc1CC ZINC000293520087 378579934 /nfs/dbraw/zinc/57/99/34/378579934.db2.gz VXJLMNOGHQGPAR-JTQLQIEISA-N 1 2 294.355 1.069 20 30 CDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](CO)C1 ZINC000266958205 190294018 /nfs/dbraw/zinc/29/40/18/190294018.db2.gz WCRIRKGWCYAYKK-JTQLQIEISA-N 1 2 293.754 1.464 20 30 CDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](CO)C1 ZINC000266958205 190294019 /nfs/dbraw/zinc/29/40/19/190294019.db2.gz WCRIRKGWCYAYKK-JTQLQIEISA-N 1 2 293.754 1.464 20 30 CDEDLO C#CC[N@@H+](CC)Cc1csc(CC(=O)N(C)C)n1 ZINC000267341028 190322114 /nfs/dbraw/zinc/32/21/14/190322114.db2.gz SJDBKFWUQROVCA-UHFFFAOYSA-N 1 2 265.382 1.229 20 30 CDEDLO C#CC[N@H+](CC)Cc1csc(CC(=O)N(C)C)n1 ZINC000267341028 190322115 /nfs/dbraw/zinc/32/21/15/190322115.db2.gz SJDBKFWUQROVCA-UHFFFAOYSA-N 1 2 265.382 1.229 20 30 CDEDLO C#Cc1ccc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000280922066 195030402 /nfs/dbraw/zinc/03/04/02/195030402.db2.gz GLMWDNBHHJEPFH-CQSZACIVSA-N 1 2 263.362 1.287 20 30 CDEDLO C#Cc1ccc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000280922066 195030404 /nfs/dbraw/zinc/03/04/04/195030404.db2.gz GLMWDNBHHJEPFH-CQSZACIVSA-N 1 2 263.362 1.287 20 30 CDEDLO C#Cc1ccccc1CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000289401702 197329148 /nfs/dbraw/zinc/32/91/48/197329148.db2.gz ADFZQLKSSUJTLZ-ZDUSSCGKSA-N 1 2 267.332 1.612 20 30 CDEDLO O=C1NC[C@H]2C[N@H+](CC#Cc3cccc(Cl)c3)CCN12 ZINC000156565806 296383644 /nfs/dbraw/zinc/38/36/44/296383644.db2.gz BFCOHTBCWMACIU-AWEZNQCLSA-N 1 2 289.766 1.401 20 30 CDEDLO O=C1NC[C@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)CCN12 ZINC000156565806 296383645 /nfs/dbraw/zinc/38/36/45/296383645.db2.gz BFCOHTBCWMACIU-AWEZNQCLSA-N 1 2 289.766 1.401 20 30 CDEDLO C=CCN1CC[C@@H](N(C)C(=O)c2ccc3[nH+]ccn3c2)C1=O ZINC000281212308 195150682 /nfs/dbraw/zinc/15/06/82/195150682.db2.gz CWHLYVJNNZVCAR-CYBMUJFWSA-N 1 2 298.346 1.193 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)NC2CCCC2)C1=O ZINC000281335135 195202134 /nfs/dbraw/zinc/20/21/34/195202134.db2.gz MEIJUMWJKOOZEA-GXTWGEPZSA-N 1 2 293.411 1.152 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)NC2CCCC2)C1=O ZINC000281335135 195202135 /nfs/dbraw/zinc/20/21/35/195202135.db2.gz MEIJUMWJKOOZEA-GXTWGEPZSA-N 1 2 293.411 1.152 20 30 CDEDLO Cc1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c(C#N)cn1 ZINC000333471809 291943333 /nfs/dbraw/zinc/94/33/33/291943333.db2.gz NTMIVHVUOQULIS-HIFRSBDPSA-N 1 2 286.379 1.561 20 30 CDEDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC000337379592 390811738 /nfs/dbraw/zinc/81/17/38/390811738.db2.gz BSIRVMDNAXCLOM-HNNXBMFYSA-N 1 2 292.404 1.957 20 30 CDEDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC000337379592 390811740 /nfs/dbraw/zinc/81/17/40/390811740.db2.gz BSIRVMDNAXCLOM-HNNXBMFYSA-N 1 2 292.404 1.957 20 30 CDEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C2CC2)CC1=O ZINC000119249180 390844030 /nfs/dbraw/zinc/84/40/30/390844030.db2.gz KUQWYRUFCPAXOR-UHFFFAOYSA-N 1 2 282.347 1.809 20 30 CDEDLO Cc1cccc(C(C)C)c1NC(=O)CO[NH+]=C(N)CCO ZINC000136071371 390941050 /nfs/dbraw/zinc/94/10/50/390941050.db2.gz MJNKWAFVLAAXJW-UHFFFAOYSA-N 1 2 293.367 1.728 20 30 CDEDLO N#CCC[C@@H](C#N)CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000125393496 390918300 /nfs/dbraw/zinc/91/83/00/390918300.db2.gz ODQNLIIHHFMMBW-INIZCTEOSA-N 1 2 298.390 1.953 20 30 CDEDLO C[C@H](NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCOC1 ZINC000329459728 390991449 /nfs/dbraw/zinc/99/14/49/390991449.db2.gz RPZULAOCLRRLTL-SDDRHHMPSA-N 1 2 278.356 1.127 20 30 CDEDLO C[C@H]([NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCOC1 ZINC000329459728 390991454 /nfs/dbraw/zinc/99/14/54/390991454.db2.gz RPZULAOCLRRLTL-SDDRHHMPSA-N 1 2 278.356 1.127 20 30 CDEDLO [O-]C(NC[C@@H]1CCCSC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000329541184 391009714 /nfs/dbraw/zinc/00/97/14/391009714.db2.gz NHCPQJDFAQNSJT-RYUDHWBXSA-N 1 2 294.424 1.845 20 30 CDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@@H]1CCCSC1 ZINC000329541184 391009719 /nfs/dbraw/zinc/00/97/19/391009719.db2.gz NHCPQJDFAQNSJT-RYUDHWBXSA-N 1 2 294.424 1.845 20 30 CDEDLO CC[C@H](NC(=O)N1CCn2c[nH+]cc2C1)C1CCOCC1 ZINC000329617189 391034160 /nfs/dbraw/zinc/03/41/60/391034160.db2.gz QBJPHYUXZHJXNZ-AWEZNQCLSA-N 1 2 292.383 1.818 20 30 CDEDLO CC[C@H]([NH+]=C([O-])N1CCn2c[nH+]cc2C1)C1CCOCC1 ZINC000329617189 391034165 /nfs/dbraw/zinc/03/41/65/391034165.db2.gz QBJPHYUXZHJXNZ-AWEZNQCLSA-N 1 2 292.383 1.818 20 30 CDEDLO C[C@@H](C[S@](C)=O)[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000185123951 391038094 /nfs/dbraw/zinc/03/80/94/391038094.db2.gz AKBFWVWAXMPPLX-YUNKPMOVSA-N 1 2 299.440 1.028 20 30 CDEDLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000185123951 391038096 /nfs/dbraw/zinc/03/80/96/391038096.db2.gz AKBFWVWAXMPPLX-YUNKPMOVSA-N 1 2 299.440 1.028 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000121592116 391090727 /nfs/dbraw/zinc/09/07/27/391090727.db2.gz RDFXBGILLAJOMO-UHFFFAOYSA-N 1 2 279.296 1.660 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000121592116 391090730 /nfs/dbraw/zinc/09/07/30/391090730.db2.gz RDFXBGILLAJOMO-UHFFFAOYSA-N 1 2 279.296 1.660 20 30 CDEDLO CC(C)CCNC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352469478 391149434 /nfs/dbraw/zinc/14/94/34/391149434.db2.gz XXWAXULXBBVDQE-LBPRGKRZSA-N 1 2 269.364 1.865 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373844743 391134208 /nfs/dbraw/zinc/13/42/08/391134208.db2.gz PXTWQJJTXGDQCK-GUTXKFCHSA-N 1 2 289.379 1.543 20 30 CDEDLO CN1CCN(S(=O)(=O)CCCCC#N)c2ccc[nH+]c21 ZINC000267296603 391190806 /nfs/dbraw/zinc/19/08/06/391190806.db2.gz SXMKZFGKIBWETR-UHFFFAOYSA-N 1 2 294.380 1.361 20 30 CDEDLO N#Cc1ccccc1N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000120200966 391216545 /nfs/dbraw/zinc/21/65/45/391216545.db2.gz GLLUKCMKEOWMSQ-MRXNPFEDSA-N 1 2 298.390 1.349 20 30 CDEDLO C#CCCCS(=O)(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000376266291 391220431 /nfs/dbraw/zinc/22/04/31/391220431.db2.gz QHXOIZIODRXKDF-UHFFFAOYSA-N 1 2 295.408 1.095 20 30 CDEDLO N#CCC[N@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375793073 391197952 /nfs/dbraw/zinc/19/79/52/391197952.db2.gz SAESACCNHFTADX-CHWSQXEVSA-N 1 2 281.356 1.270 20 30 CDEDLO N#CCC[N@@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375793073 391197956 /nfs/dbraw/zinc/19/79/56/391197956.db2.gz SAESACCNHFTADX-CHWSQXEVSA-N 1 2 281.356 1.270 20 30 CDEDLO Cc1cc(NC(=O)CCn2cc[nH+]c2)nn1CCC#N ZINC000271126891 391288357 /nfs/dbraw/zinc/28/83/57/391288357.db2.gz LLQPFNHTXXAKRG-UHFFFAOYSA-N 1 2 272.312 1.331 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000339533530 391312398 /nfs/dbraw/zinc/31/23/98/391312398.db2.gz XCYWRYVYDQZJJK-CYBMUJFWSA-N 1 2 292.383 1.250 20 30 CDEDLO C=C(C)CN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000366407492 391313128 /nfs/dbraw/zinc/31/31/28/391313128.db2.gz RWQICEFRDWFDLN-CQSZACIVSA-N 1 2 266.385 1.664 20 30 CDEDLO C=C(C)CN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000366407492 391313133 /nfs/dbraw/zinc/31/31/33/391313133.db2.gz RWQICEFRDWFDLN-CQSZACIVSA-N 1 2 266.385 1.664 20 30 CDEDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)[C@H](C)C#N ZINC000416525088 391315150 /nfs/dbraw/zinc/31/51/50/391315150.db2.gz NEWFPUAGFSIUGJ-VXGBXAGGSA-N 1 2 296.396 1.672 20 30 CDEDLO N#CCN(CC#N)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000346779860 391370944 /nfs/dbraw/zinc/37/09/44/391370944.db2.gz RSOGGUPAMYLTHD-UHFFFAOYSA-N 1 2 279.303 1.421 20 30 CDEDLO O=C(NCCn1cccn1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328957542 391398696 /nfs/dbraw/zinc/39/86/96/391398696.db2.gz OCCUZTVXXPRIFH-LLVKDONJSA-N 1 2 259.313 1.299 20 30 CDEDLO CN1CCOC[C@@H]1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328959638 391399087 /nfs/dbraw/zinc/39/90/87/391399087.db2.gz KBYQUKARCDOYJJ-NWDGAFQWSA-N 1 2 278.356 1.048 20 30 CDEDLO Cn1ncc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1C1CC1 ZINC000328968928 391400063 /nfs/dbraw/zinc/40/00/63/391400063.db2.gz UHCWHMMVSXXBTM-JTQLQIEISA-N 1 2 285.351 1.883 20 30 CDEDLO Cn1ncc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1C1CC1 ZINC000328968928 391400064 /nfs/dbraw/zinc/40/00/64/391400064.db2.gz UHCWHMMVSXXBTM-JTQLQIEISA-N 1 2 285.351 1.883 20 30 CDEDLO C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccon1 ZINC000349251405 391539646 /nfs/dbraw/zinc/53/96/46/391539646.db2.gz RAEIWDYQMGNLMH-TVQRCGJNSA-N 1 2 262.313 1.134 20 30 CDEDLO C=CCn1cc(C(=O)Nc2nc(C[NH+](C)C)cs2)nn1 ZINC000648415272 391584555 /nfs/dbraw/zinc/58/45/55/391584555.db2.gz PFJHDQMGASGUMO-UHFFFAOYSA-N 1 2 292.368 1.235 20 30 CDEDLO CC(C)(C#N)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000359636754 391606803 /nfs/dbraw/zinc/60/68/03/391606803.db2.gz PBNBVYJWWLGFON-UHFFFAOYSA-N 1 2 256.309 1.543 20 30 CDEDLO CC(C)[N@H+](CC(N)=O)Cc1ccc(C#N)cc1OC(F)F ZINC000437402426 391652411 /nfs/dbraw/zinc/65/24/11/391652411.db2.gz GLRBNXOPUKYUCZ-UHFFFAOYSA-N 1 2 297.305 1.855 20 30 CDEDLO CC(C)[N@@H+](CC(N)=O)Cc1ccc(C#N)cc1OC(F)F ZINC000437402426 391652415 /nfs/dbraw/zinc/65/24/15/391652415.db2.gz GLRBNXOPUKYUCZ-UHFFFAOYSA-N 1 2 297.305 1.855 20 30 CDEDLO N#CCC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000051371556 391660520 /nfs/dbraw/zinc/66/05/20/391660520.db2.gz KTERUXSQTZBKHR-UHFFFAOYSA-N 1 2 254.337 1.984 20 30 CDEDLO N#CCC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000051371556 391660523 /nfs/dbraw/zinc/66/05/23/391660523.db2.gz KTERUXSQTZBKHR-UHFFFAOYSA-N 1 2 254.337 1.984 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)C1=O ZINC000281959906 391666641 /nfs/dbraw/zinc/66/66/41/391666641.db2.gz KIDIKUDUCICBFU-OLZOCXBDSA-N 1 2 289.383 1.079 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)C1=O ZINC000281959906 391666648 /nfs/dbraw/zinc/66/66/48/391666648.db2.gz KIDIKUDUCICBFU-OLZOCXBDSA-N 1 2 289.383 1.079 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)C1=O ZINC000281959906 391666653 /nfs/dbraw/zinc/66/66/53/391666653.db2.gz KIDIKUDUCICBFU-OLZOCXBDSA-N 1 2 289.383 1.079 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)C1=O ZINC000281959906 391666657 /nfs/dbraw/zinc/66/66/57/391666657.db2.gz KIDIKUDUCICBFU-OLZOCXBDSA-N 1 2 289.383 1.079 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)C1=O ZINC000281959906 391666661 /nfs/dbraw/zinc/66/66/61/391666661.db2.gz KIDIKUDUCICBFU-OLZOCXBDSA-N 1 2 289.383 1.079 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)C1=O ZINC000281959906 391666666 /nfs/dbraw/zinc/66/66/66/391666666.db2.gz KIDIKUDUCICBFU-OLZOCXBDSA-N 1 2 289.383 1.079 20 30 CDEDLO CCOC(=O)[C@@H](C)[N@H+](C)CCOc1ccccc1C#N ZINC000341995560 130187720 /nfs/dbraw/zinc/18/77/20/130187720.db2.gz PLDQTSLXCDNYBQ-GFCCVEGCSA-N 1 2 276.336 1.820 20 30 CDEDLO CCOC(=O)[C@@H](C)[N@@H+](C)CCOc1ccccc1C#N ZINC000341995560 130187722 /nfs/dbraw/zinc/18/77/22/130187722.db2.gz PLDQTSLXCDNYBQ-GFCCVEGCSA-N 1 2 276.336 1.820 20 30 CDEDLO CC[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CCCO1 ZINC000329757010 391772286 /nfs/dbraw/zinc/77/22/86/391772286.db2.gz ZBKBVLCEQTWBGF-NWDGAFQWSA-N 1 2 292.383 1.682 20 30 CDEDLO CC[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CCCO1 ZINC000329757010 391772291 /nfs/dbraw/zinc/77/22/91/391772291.db2.gz ZBKBVLCEQTWBGF-NWDGAFQWSA-N 1 2 292.383 1.682 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000329893358 391795056 /nfs/dbraw/zinc/79/50/56/391795056.db2.gz JLZGPBLRJJFVII-MGPQQGTHSA-N 1 2 282.384 1.645 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000329893358 391795059 /nfs/dbraw/zinc/79/50/59/391795059.db2.gz JLZGPBLRJJFVII-MGPQQGTHSA-N 1 2 282.384 1.645 20 30 CDEDLO Cc1nc(C)c(C(=O)NCC[N@H+]2CCOC[C@H]2C)o1 ZINC000329899265 391795902 /nfs/dbraw/zinc/79/59/02/391795902.db2.gz MVHGVRONGZIIQH-SECBINFHSA-N 1 2 267.329 1.317 20 30 CDEDLO Cc1nc(C)c(C(=O)NCC[N@@H+]2CCOC[C@H]2C)o1 ZINC000329899265 391795903 /nfs/dbraw/zinc/79/59/03/391795903.db2.gz MVHGVRONGZIIQH-SECBINFHSA-N 1 2 267.329 1.317 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)N1CC[C@@](F)(C#N)C1 ZINC000590098322 391833241 /nfs/dbraw/zinc/83/32/41/391833241.db2.gz GIBVKMNJNCXUEO-CYBMUJFWSA-N 1 2 278.287 1.237 20 30 CDEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCOC[C@@]23CCOC3)cc1 ZINC000193718976 391950192 /nfs/dbraw/zinc/95/01/92/391950192.db2.gz CMACBVPWMVKNEH-HOTGVXAUSA-N 1 2 288.347 1.083 20 30 CDEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCOC[C@@]23CCOC3)cc1 ZINC000193718976 391950198 /nfs/dbraw/zinc/95/01/98/391950198.db2.gz CMACBVPWMVKNEH-HOTGVXAUSA-N 1 2 288.347 1.083 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000448621065 392127097 /nfs/dbraw/zinc/12/70/97/392127097.db2.gz IKHNAXHWMSDARQ-GFCCVEGCSA-N 1 2 293.411 1.010 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)C(=O)Nc1cccc(C#N)c1 ZINC000459796983 392507490 /nfs/dbraw/zinc/50/74/90/392507490.db2.gz RSLJMCZMCNKQDJ-NWDGAFQWSA-N 1 2 297.362 1.970 20 30 CDEDLO CC(C)(C[NH+]1CCOCC1)Nc1ncc(C#N)cc1F ZINC000413540164 392840834 /nfs/dbraw/zinc/84/08/34/392840834.db2.gz JHVBEMNMULMRRO-UHFFFAOYSA-N 1 2 278.331 1.615 20 30 CDEDLO CCOCC[NH+]1CCN(c2ncc(C#N)cc2F)CC1 ZINC000413128779 392826902 /nfs/dbraw/zinc/82/69/02/392826902.db2.gz KPURLVMTHONTJM-UHFFFAOYSA-N 1 2 278.331 1.251 20 30 CDEDLO N#Cc1cc(F)cc(OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000419032246 392885536 /nfs/dbraw/zinc/88/55/36/392885536.db2.gz JZHTXOBZNKPXBU-OKILXGFUSA-N 1 2 276.311 1.939 20 30 CDEDLO N#Cc1cc(F)cc(OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000419032246 392885541 /nfs/dbraw/zinc/88/55/41/392885541.db2.gz JZHTXOBZNKPXBU-OKILXGFUSA-N 1 2 276.311 1.939 20 30 CDEDLO Cc1cc(C[NH2+][C@@H](C)c2ncn(C)n2)ccc1C#N ZINC000488996575 392859316 /nfs/dbraw/zinc/85/93/16/392859316.db2.gz ZDSKSZLMNVJVLG-NSHDSACASA-N 1 2 255.325 1.846 20 30 CDEDLO CC#CC[C@H](CO)NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000649181745 392951324 /nfs/dbraw/zinc/95/13/24/392951324.db2.gz HRKIEZMYPQMWEX-CYBMUJFWSA-N 1 2 285.347 1.386 20 30 CDEDLO N#Cc1c2c(cnc1NCCCn1cc[nH+]c1)CCC2 ZINC000425201608 392992527 /nfs/dbraw/zinc/99/25/27/392992527.db2.gz NPDXPAVVJBNRJI-UHFFFAOYSA-N 1 2 267.336 1.563 20 30 CDEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3C[C@H]4CC[C@@H](C3)O4)C2=O)cc1 ZINC000329848248 393141819 /nfs/dbraw/zinc/14/18/19/393141819.db2.gz RKFAMUABLAIWLA-XHSDSOJGSA-N 1 2 297.358 1.527 20 30 CDEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3C[C@H]4CC[C@@H](C3)O4)C2=O)cc1 ZINC000329848248 393141824 /nfs/dbraw/zinc/14/18/24/393141824.db2.gz RKFAMUABLAIWLA-XHSDSOJGSA-N 1 2 297.358 1.527 20 30 CDEDLO C=CCn1cc(C(=O)NCCCNc2cccc[nH+]2)nn1 ZINC000648789159 393354953 /nfs/dbraw/zinc/35/49/53/393354953.db2.gz MYVVAJUILDLPFN-UHFFFAOYSA-N 1 2 286.339 1.091 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)ccc1F ZINC000246755029 140283653 /nfs/dbraw/zinc/28/36/53/140283653.db2.gz VTBVQDKYWVZLII-LSDHHAIUSA-N 1 2 287.338 1.940 20 30 CDEDLO N#Cc1cc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)ccc1F ZINC000246755029 140283654 /nfs/dbraw/zinc/28/36/54/140283654.db2.gz VTBVQDKYWVZLII-LSDHHAIUSA-N 1 2 287.338 1.940 20 30 CDEDLO C#CCC(C)(C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000373354421 397675516 /nfs/dbraw/zinc/67/55/16/397675516.db2.gz PANFXBGYAZQGEU-UHFFFAOYSA-N 1 2 273.380 1.928 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](CC)OC[C@@H]1C ZINC000649730504 397914119 /nfs/dbraw/zinc/91/41/19/397914119.db2.gz SFISOFRSBYOJGM-KBPBESRZSA-N 1 2 266.385 1.686 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](CC)OC[C@@H]1C ZINC000649730504 397914123 /nfs/dbraw/zinc/91/41/23/397914123.db2.gz SFISOFRSBYOJGM-KBPBESRZSA-N 1 2 266.385 1.686 20 30 CDEDLO CC[C@H](F)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004519152 685107697 /nfs/dbraw/zinc/10/76/97/685107697.db2.gz YZFYMXSELFNWKX-KBPBESRZSA-N 1 2 281.375 1.961 20 30 CDEDLO CC[C@H](F)C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004519152 685107708 /nfs/dbraw/zinc/10/77/08/685107708.db2.gz YZFYMXSELFNWKX-KBPBESRZSA-N 1 2 281.375 1.961 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCSC[C@@H]2CO)ccc1F ZINC000335939301 151132927 /nfs/dbraw/zinc/13/29/27/151132927.db2.gz UTXWGXJUYGLHLO-LBPRGKRZSA-N 1 2 266.341 1.607 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCSC[C@@H]2CO)ccc1F ZINC000335939301 151132928 /nfs/dbraw/zinc/13/29/28/151132928.db2.gz UTXWGXJUYGLHLO-LBPRGKRZSA-N 1 2 266.341 1.607 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc(C#N)n1C)CCC2 ZINC000336193993 151350545 /nfs/dbraw/zinc/35/05/45/151350545.db2.gz ITWCDLBXZPLLDN-GFCCVEGCSA-N 1 2 297.362 1.709 20 30 CDEDLO Cc1ccnc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1C#N ZINC000343503387 152204667 /nfs/dbraw/zinc/20/46/67/152204667.db2.gz APMJCSJGCCGKSW-CHWSQXEVSA-N 1 2 274.368 1.783 20 30 CDEDLO COc1cc[nH+]cc1CSc1nc(N)c(C#N)cc1C#N ZINC000343832824 152318898 /nfs/dbraw/zinc/31/88/98/152318898.db2.gz FJPCGZRYMVEWKL-UHFFFAOYSA-N 1 2 297.343 1.933 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)s1)C[C@@H](O)C(F)(F)F ZINC000349372443 154102663 /nfs/dbraw/zinc/10/26/63/154102663.db2.gz UUBZHLDRAKVTQV-SECBINFHSA-N 1 2 264.272 1.975 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)s1)C[C@@H](O)C(F)(F)F ZINC000349372443 154102666 /nfs/dbraw/zinc/10/26/66/154102666.db2.gz UUBZHLDRAKVTQV-SECBINFHSA-N 1 2 264.272 1.975 20 30 CDEDLO N#Cc1ccc(NCC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000359484007 158261485 /nfs/dbraw/zinc/26/14/85/158261485.db2.gz QICBHGWUVWXMJX-UHFFFAOYSA-N 1 2 281.319 1.209 20 30 CDEDLO C=CCN(C(=O)NCCn1cc[nH+]c1)[C@@H](C)COC ZINC000656541775 413394090 /nfs/dbraw/zinc/39/40/90/413394090.db2.gz XPFVQWGAUBGQJG-LBPRGKRZSA-N 1 2 266.345 1.116 20 30 CDEDLO Cc1cc(C[N@H+]2C[C@H]3[C@@H](CCS3(=O)=O)C2)ccc1C#N ZINC000352984156 165077795 /nfs/dbraw/zinc/07/77/95/165077795.db2.gz IQNPCVVVBGNSIJ-GJZGRUSLSA-N 1 2 290.388 1.486 20 30 CDEDLO Cc1cc(C[N@@H+]2C[C@H]3[C@@H](CCS3(=O)=O)C2)ccc1C#N ZINC000352984156 165077796 /nfs/dbraw/zinc/07/77/96/165077796.db2.gz IQNPCVVVBGNSIJ-GJZGRUSLSA-N 1 2 290.388 1.486 20 30 CDEDLO C=CCCn1cc(CNc2ccc(N(C)C)[nH+]c2)nn1 ZINC000656767175 413657684 /nfs/dbraw/zinc/65/76/84/413657684.db2.gz DDGISTBBHKIVDI-UHFFFAOYSA-N 1 2 272.356 1.927 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661120664 413807983 /nfs/dbraw/zinc/80/79/83/413807983.db2.gz QOIOMYGDPDUEJZ-DGCLKSJQSA-N 1 2 278.356 1.532 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661120664 413807991 /nfs/dbraw/zinc/80/79/91/413807991.db2.gz QOIOMYGDPDUEJZ-DGCLKSJQSA-N 1 2 278.356 1.532 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664958287 413759793 /nfs/dbraw/zinc/75/97/93/413759793.db2.gz YIVVRHXAEHHGKR-UONOGXRCSA-N 1 2 297.443 1.997 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664958287 413759807 /nfs/dbraw/zinc/75/98/07/413759807.db2.gz YIVVRHXAEHHGKR-UONOGXRCSA-N 1 2 297.443 1.997 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@H](C)C(=O)N[C@H](C)CC)nn1 ZINC000657335688 414195520 /nfs/dbraw/zinc/19/55/20/414195520.db2.gz SIHXATIPCHWUGA-VXGBXAGGSA-N 1 2 279.388 1.247 20 30 CDEDLO CC#CCN(C)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000665615286 414316794 /nfs/dbraw/zinc/31/67/94/414316794.db2.gz FHPPQBYZPHRUJR-UHFFFAOYSA-N 1 2 286.379 1.847 20 30 CDEDLO N#CC1(C(=O)NCCCn2cc[nH+]c2)CCCCC1 ZINC000044385201 175169801 /nfs/dbraw/zinc/16/98/01/175169801.db2.gz NOBUVNMNQIARFC-UHFFFAOYSA-N 1 2 260.341 1.863 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)c1ccc(C#N)cc1 ZINC000045136834 175314284 /nfs/dbraw/zinc/31/42/84/175314284.db2.gz KDJMHWMWKVCBSC-UHFFFAOYSA-N 1 2 254.293 1.264 20 30 CDEDLO C=C[C@H](CC)CC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000932722725 686802686 /nfs/dbraw/zinc/80/26/86/686802686.db2.gz GBIGFYKVRBFXBF-UONOGXRCSA-N 1 2 267.417 1.341 20 30 CDEDLO C[C@H](C#N)C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000347074410 226015369 /nfs/dbraw/zinc/01/53/69/226015369.db2.gz RELXFCCYLUQBEV-SNVBAGLBSA-N 1 2 299.334 1.498 20 30 CDEDLO O=C(NCCC1(O)CCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000329136111 227319625 /nfs/dbraw/zinc/31/96/25/227319625.db2.gz GRVBYEDLLRIUPU-NSHDSACASA-N 1 2 263.341 1.707 20 30 CDEDLO [O-]C(NCC1CCCC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330126243 228044542 /nfs/dbraw/zinc/04/45/42/228044542.db2.gz BYISWRLEBHWUQS-GFCCVEGCSA-N 1 2 262.357 1.892 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]CC1CCCC1 ZINC000330126243 228044545 /nfs/dbraw/zinc/04/45/45/228044545.db2.gz BYISWRLEBHWUQS-GFCCVEGCSA-N 1 2 262.357 1.892 20 30 CDEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CC(=O)Nc2ccccc21 ZINC000331817326 228130821 /nfs/dbraw/zinc/13/08/21/228130821.db2.gz XCUNLWACPKWXLD-NWDGAFQWSA-N 1 2 298.346 1.254 20 30 CDEDLO Cc1cnc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c(O)c1 ZINC000330337325 228156199 /nfs/dbraw/zinc/15/61/99/228156199.db2.gz ZWGDQVVHSUKIIG-JTQLQIEISA-N 1 2 272.308 1.612 20 30 CDEDLO OC(NC1=[NH+]CCS1)=C1CCOc2ccccc21 ZINC000078472346 260300148 /nfs/dbraw/zinc/30/01/48/260300148.db2.gz QQAMSZCLXFURKN-SNVBAGLBSA-N 1 2 262.334 1.772 20 30 CDEDLO C#C[C@H](CC)NC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000490975203 261276220 /nfs/dbraw/zinc/27/62/20/261276220.db2.gz SGFGGGZAIYZLIC-CQSZACIVSA-N 1 2 286.379 1.633 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000491144866 261346285 /nfs/dbraw/zinc/34/62/85/261346285.db2.gz IXOOMDLOZJTNKH-GFCCVEGCSA-N 1 2 274.339 1.630 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCc2cc(F)cc(C)c2C1 ZINC000491144866 261346287 /nfs/dbraw/zinc/34/62/87/261346287.db2.gz IXOOMDLOZJTNKH-GFCCVEGCSA-N 1 2 274.339 1.630 20 30 CDEDLO C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001027418559 686857317 /nfs/dbraw/zinc/85/73/17/686857317.db2.gz AIAGKHQIZXGZGT-UWVGGRQHSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001027418559 686857319 /nfs/dbraw/zinc/85/73/19/686857319.db2.gz AIAGKHQIZXGZGT-UWVGGRQHSA-N 1 2 280.265 1.443 20 30 CDEDLO COC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1ccco1 ZINC000184540257 262022796 /nfs/dbraw/zinc/02/27/96/262022796.db2.gz FDZQVRJQHPRSLI-SWLSCSKDSA-N 1 2 293.367 1.611 20 30 CDEDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCC1OCCO1 ZINC000194644088 262241119 /nfs/dbraw/zinc/24/11/19/262241119.db2.gz POXLWDJYRFXMRQ-UHFFFAOYSA-N 1 2 270.716 1.544 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000339758485 262665650 /nfs/dbraw/zinc/66/56/50/262665650.db2.gz IETUOLYPSWHSBT-UHFFFAOYSA-N 1 2 274.280 1.223 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000339758485 262665651 /nfs/dbraw/zinc/66/56/51/262665651.db2.gz IETUOLYPSWHSBT-UHFFFAOYSA-N 1 2 274.280 1.223 20 30 CDEDLO N#CCCCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000273295032 263014842 /nfs/dbraw/zinc/01/48/42/263014842.db2.gz TTZDMGXQNSZAGX-LLVKDONJSA-N 1 2 261.329 1.602 20 30 CDEDLO CCOc1ccc(C[NH+]2CCN(C(=O)CC#N)CC2)cc1 ZINC000274610258 263027683 /nfs/dbraw/zinc/02/76/83/263027683.db2.gz PVDWDUYAJJMMFZ-UHFFFAOYSA-N 1 2 287.363 1.643 20 30 CDEDLO CC(C)(C#N)CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000278352092 263047420 /nfs/dbraw/zinc/04/74/20/263047420.db2.gz XKBTVBXLAFKCKG-UHFFFAOYSA-N 1 2 272.352 1.670 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000279457209 263055625 /nfs/dbraw/zinc/05/56/25/263055625.db2.gz ONYVUZDKDZJDID-QMTHXVAHSA-N 1 2 260.341 1.849 20 30 CDEDLO Cc1[nH]c[nH+]c1CC(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000279457209 263055626 /nfs/dbraw/zinc/05/56/26/263055626.db2.gz ONYVUZDKDZJDID-QMTHXVAHSA-N 1 2 260.341 1.849 20 30 CDEDLO CCN(CC)c1ccc(CNC(=O)/C=N/OC)c[nH+]1 ZINC000282928807 263079598 /nfs/dbraw/zinc/07/95/98/263079598.db2.gz FTIWCSTZMVWOOT-MHWRWJLKSA-N 1 2 264.329 1.176 20 30 CDEDLO N#Cc1ccc(OCCO[NH+]=C(N)[C@@H]2CCCO2)cc1 ZINC000284471987 263087004 /nfs/dbraw/zinc/08/70/04/263087004.db2.gz RHMPUJVASVWVEW-ZDUSSCGKSA-N 1 2 275.308 1.405 20 30 CDEDLO COC(=O)c1cc(CO[NH+]=C(N)[C@@H]2CCCO2)c(C)s1 ZINC000284472119 263087039 /nfs/dbraw/zinc/08/70/39/263087039.db2.gz RIEPYVQZCBNZRR-JTQLQIEISA-N 1 2 298.364 1.811 20 30 CDEDLO C[C@H](NC(=O)CO[NH+]=C(N)[C@H]1CCCO1)c1ccccc1 ZINC000284619352 263087679 /nfs/dbraw/zinc/08/76/79/263087679.db2.gz ZNUJVDDDLAJPPH-WCQYABFASA-N 1 2 291.351 1.332 20 30 CDEDLO COc1c[nH+]c(NCCCC#N)nc1NCCCC#N ZINC000286870349 263100011 /nfs/dbraw/zinc/10/00/11/263100011.db2.gz NLQLIBLWYHEGOP-UHFFFAOYSA-N 1 2 274.328 1.917 20 30 CDEDLO N#CCc1ccc(NC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000289501257 263110576 /nfs/dbraw/zinc/11/05/76/263110576.db2.gz MAQSVTUEMHMRKE-UHFFFAOYSA-N 1 2 281.319 1.997 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000299190086 263234510 /nfs/dbraw/zinc/23/45/10/263234510.db2.gz CXDVNWOYBXTOON-INIZCTEOSA-N 1 2 293.370 1.890 20 30 CDEDLO CCOC(=O)CCC/[NH+]=C/c1ccc(O)c(O)c1O ZINC000299268508 263236651 /nfs/dbraw/zinc/23/66/51/263236651.db2.gz KRHDNFCFCFBIRK-RIYZIHGNSA-N 1 2 267.281 1.566 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000341858762 263355646 /nfs/dbraw/zinc/35/56/46/263355646.db2.gz JDWHUMPKIUVGTC-ZDUSSCGKSA-N 1 2 292.383 1.131 20 30 CDEDLO COCC1(C#N)CC[NH+]([C@@H](C)c2nnnn2C2CC2)CC1 ZINC000341982035 263370326 /nfs/dbraw/zinc/37/03/26/263370326.db2.gz CRNYIXZFGWKEAK-NSHDSACASA-N 1 2 290.371 1.321 20 30 CDEDLO C=C[C@H](CO)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425307717 263810180 /nfs/dbraw/zinc/81/01/80/263810180.db2.gz BLHRVHYPTSWNDA-KGLIPLIRSA-N 1 2 285.347 1.595 20 30 CDEDLO CCNC(=O)N1CC[NH+](CCCC(=O)CC)CC1 ZINC000330829627 264049976 /nfs/dbraw/zinc/04/99/76/264049976.db2.gz JKBHCBLDQSRLRL-UHFFFAOYSA-N 1 2 255.362 1.297 20 30 CDEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cn1 ZINC000330849292 264067292 /nfs/dbraw/zinc/06/72/92/264067292.db2.gz PSCOLBCOHUPQFD-GXSJLCMTSA-N 1 2 278.743 1.955 20 30 CDEDLO COCC(C)(C)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330934731 264079848 /nfs/dbraw/zinc/07/98/48/264079848.db2.gz KCYKADGUQKXZHB-UHFFFAOYSA-N 1 2 287.404 1.026 20 30 CDEDLO COCC(C)(C)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330934731 264079851 /nfs/dbraw/zinc/07/98/51/264079851.db2.gz KCYKADGUQKXZHB-UHFFFAOYSA-N 1 2 287.404 1.026 20 30 CDEDLO CSC1(CNC(=O)NCc2[nH+]ccn2C)CCOCC1 ZINC000330935221 264080223 /nfs/dbraw/zinc/08/02/23/264080223.db2.gz MEBQQCSUELDJNG-UHFFFAOYSA-N 1 2 298.412 1.336 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cncc(F)c1 ZINC000330982964 264103106 /nfs/dbraw/zinc/10/31/06/264103106.db2.gz XQVVFZPLTYISQK-SNVBAGLBSA-N 1 2 267.304 1.246 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cncc(F)c1 ZINC000330982964 264103109 /nfs/dbraw/zinc/10/31/09/264103109.db2.gz XQVVFZPLTYISQK-SNVBAGLBSA-N 1 2 267.304 1.246 20 30 CDEDLO Cc1cnc(C2CC[NH+](CC(=O)NCC#N)CC2)s1 ZINC000331190754 264157374 /nfs/dbraw/zinc/15/73/74/264157374.db2.gz LBZHUBFWNVITBN-UHFFFAOYSA-N 1 2 278.381 1.271 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331313312 264187107 /nfs/dbraw/zinc/18/71/07/264187107.db2.gz IEIPXKCATKSPEM-GFCCVEGCSA-N 1 2 276.384 1.827 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000190521503 264390843 /nfs/dbraw/zinc/39/08/43/264390843.db2.gz JVISMWAOITYTAO-MRXNPFEDSA-N 1 2 295.427 1.930 20 30 CDEDLO C[N@H+](CC(=O)NC1CC1)Cc1ccc(F)c(C#N)c1 ZINC000160566503 423854084 /nfs/dbraw/zinc/85/40/84/423854084.db2.gz JMMGIGLTHQCZQU-UHFFFAOYSA-N 1 2 261.300 1.408 20 30 CDEDLO C[N@@H+](CC(=O)NC1CC1)Cc1ccc(F)c(C#N)c1 ZINC000160566503 423854096 /nfs/dbraw/zinc/85/40/96/423854096.db2.gz JMMGIGLTHQCZQU-UHFFFAOYSA-N 1 2 261.300 1.408 20 30 CDEDLO C=CC[N@@H+](Cc1nc(CCOC)no1)[C@H](C)COC ZINC000661244250 424080720 /nfs/dbraw/zinc/08/07/20/424080720.db2.gz RQOPNHKHOZGLGX-LLVKDONJSA-N 1 2 269.345 1.281 20 30 CDEDLO C=CC[N@H+](Cc1nc(CCOC)no1)[C@H](C)COC ZINC000661244250 424080730 /nfs/dbraw/zinc/08/07/30/424080730.db2.gz RQOPNHKHOZGLGX-LLVKDONJSA-N 1 2 269.345 1.281 20 30 CDEDLO CCOC[C@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)CCO1 ZINC000529666414 267141585 /nfs/dbraw/zinc/14/15/85/267141585.db2.gz LBBRFAZRDGFXOR-OAHLLOKOSA-N 1 2 290.363 1.804 20 30 CDEDLO CCOC[C@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)CCO1 ZINC000529666414 267141588 /nfs/dbraw/zinc/14/15/88/267141588.db2.gz LBBRFAZRDGFXOR-OAHLLOKOSA-N 1 2 290.363 1.804 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120060182 267354512 /nfs/dbraw/zinc/35/45/12/267354512.db2.gz MZMLSSRBUNQQOG-JTQLQIEISA-N 1 2 269.776 1.801 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120060182 267354514 /nfs/dbraw/zinc/35/45/14/267354514.db2.gz MZMLSSRBUNQQOG-JTQLQIEISA-N 1 2 269.776 1.801 20 30 CDEDLO C#CCOCCC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000377216164 268056427 /nfs/dbraw/zinc/05/64/27/268056427.db2.gz SCDZDMWVFLIKLF-CQSZACIVSA-N 1 2 289.379 1.997 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)F ZINC001017293075 687118749 /nfs/dbraw/zinc/11/87/49/687118749.db2.gz KSFAATIPQRUDNK-TXEJJXNPSA-N 1 2 252.333 1.433 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)F ZINC001017293075 687118756 /nfs/dbraw/zinc/11/87/56/687118756.db2.gz KSFAATIPQRUDNK-TXEJJXNPSA-N 1 2 252.333 1.433 20 30 CDEDLO COCC[N@H+](CC#Cc1ccc(Cl)cc1)[C@H](C)C(N)=O ZINC000177144633 277214230 /nfs/dbraw/zinc/21/42/30/277214230.db2.gz NFHZBGIGVAKFII-GFCCVEGCSA-N 1 2 294.782 1.514 20 30 CDEDLO COCC[N@@H+](CC#Cc1ccc(Cl)cc1)[C@H](C)C(N)=O ZINC000177144633 277214231 /nfs/dbraw/zinc/21/42/31/277214231.db2.gz NFHZBGIGVAKFII-GFCCVEGCSA-N 1 2 294.782 1.514 20 30 CDEDLO C[C@@H]1c2cccn2CCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330274916 278109776 /nfs/dbraw/zinc/10/97/76/278109776.db2.gz KUJSRLQZLJPJBX-OLZOCXBDSA-N 1 2 299.378 1.990 20 30 CDEDLO C[C@@H]1COCC[C@@H]1NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330337688 288356714 /nfs/dbraw/zinc/35/67/14/288356714.db2.gz UHBBYQUQYOHELF-UTUOFQBUSA-N 1 2 278.356 1.127 20 30 CDEDLO C[C@@H]1COCC[C@@H]1[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330337688 288356715 /nfs/dbraw/zinc/35/67/15/288356715.db2.gz UHBBYQUQYOHELF-UTUOFQBUSA-N 1 2 278.356 1.127 20 30 CDEDLO N#Cc1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)nc1 ZINC000152499181 289136532 /nfs/dbraw/zinc/13/65/32/289136532.db2.gz RBEPYXKLQMOVMW-ZDUSSCGKSA-N 1 2 293.330 1.357 20 30 CDEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000071904623 290197991 /nfs/dbraw/zinc/19/79/91/290197991.db2.gz GGQYVLSORNQSCU-GHMZBOCLSA-N 1 2 298.383 1.951 20 30 CDEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000071904623 290197994 /nfs/dbraw/zinc/19/79/94/290197994.db2.gz GGQYVLSORNQSCU-GHMZBOCLSA-N 1 2 298.383 1.951 20 30 CDEDLO Cc1noc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000562379072 293147502 /nfs/dbraw/zinc/14/75/02/293147502.db2.gz PUYHQDBJOIPUDR-LBPRGKRZSA-N 1 2 285.307 1.298 20 30 CDEDLO Cc1noc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000562379072 293147503 /nfs/dbraw/zinc/14/75/03/293147503.db2.gz PUYHQDBJOIPUDR-LBPRGKRZSA-N 1 2 285.307 1.298 20 30 CDEDLO C[C@@H]1CCN(c2cc(C#N)ncn2)C[C@H]1n1cc[nH+]c1 ZINC000570323843 294215801 /nfs/dbraw/zinc/21/58/01/294215801.db2.gz JWFATSVZNIPMBY-DGCLKSJQSA-N 1 2 268.324 1.632 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)c(F)c1 ZINC001038738373 687149223 /nfs/dbraw/zinc/14/92/23/687149223.db2.gz AYHPYNSZPQSBHE-NSHDSACASA-N 1 2 280.730 1.916 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)c(F)c1 ZINC001038738373 687149225 /nfs/dbraw/zinc/14/92/25/687149225.db2.gz AYHPYNSZPQSBHE-NSHDSACASA-N 1 2 280.730 1.916 20 30 CDEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000226157952 301075406 /nfs/dbraw/zinc/07/54/06/301075406.db2.gz KHDPYNXPVJTKMI-LBPRGKRZSA-N 1 2 293.392 1.191 20 30 CDEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000226157952 301075408 /nfs/dbraw/zinc/07/54/08/301075408.db2.gz KHDPYNXPVJTKMI-LBPRGKRZSA-N 1 2 293.392 1.191 20 30 CDEDLO C[C@@H]1C[N@H+](CCSc2cccnc2C#N)CCO1 ZINC000563735873 316364366 /nfs/dbraw/zinc/36/43/66/316364366.db2.gz WMOPUUROIQKHGT-LLVKDONJSA-N 1 2 263.366 1.766 20 30 CDEDLO C[C@@H]1C[N@@H+](CCSc2cccnc2C#N)CCO1 ZINC000563735873 316364369 /nfs/dbraw/zinc/36/43/69/316364369.db2.gz WMOPUUROIQKHGT-LLVKDONJSA-N 1 2 263.366 1.766 20 30 CDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cn2)C[C@@]2(CCCOC2)O1 ZINC000577526633 317350103 /nfs/dbraw/zinc/35/01/03/317350103.db2.gz GNIBKQSHLPZPII-XJKSGUPXSA-N 1 2 287.363 1.723 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)C[C@@]2(CCCOC2)O1 ZINC000577526633 317350105 /nfs/dbraw/zinc/35/01/05/317350105.db2.gz GNIBKQSHLPZPII-XJKSGUPXSA-N 1 2 287.363 1.723 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1cccc(OCC#N)c1 ZINC000271851006 328198113 /nfs/dbraw/zinc/19/81/13/328198113.db2.gz WIUKVQWUXKASLF-UHFFFAOYSA-N 1 2 299.334 1.986 20 30 CDEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCC#N ZINC000279904410 328233653 /nfs/dbraw/zinc/23/36/53/328233653.db2.gz WECQHZXERPLQOD-UHFFFAOYSA-N 1 2 264.235 1.263 20 30 CDEDLO C#CCN(CC#N)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000281628589 328240619 /nfs/dbraw/zinc/24/06/19/328240619.db2.gz YXYNAMHHDYMKDI-UHFFFAOYSA-N 1 2 266.304 1.330 20 30 CDEDLO Cc1cc[nH+]c(NCC2(CC#N)CC2)c1-c1nn[nH]n1 ZINC001592275874 1173842973 /nfs/dbraw/zinc/84/29/73/1173842973.db2.gz VQQNXQLSXNCMDM-UHFFFAOYSA-N 1 2 269.312 1.676 20 30 CDEDLO C=CC[C@H](CC)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000341436227 328410389 /nfs/dbraw/zinc/41/03/89/328410389.db2.gz SPFGIXVZRKUXHV-GJZGRUSLSA-N 1 2 295.427 1.847 20 30 CDEDLO COCCOc1ccc(CNc2cc(C)[nH+]cc2C#N)cn1 ZINC000579346390 324161806 /nfs/dbraw/zinc/16/18/06/324161806.db2.gz XNNJADZKRNIKHT-UHFFFAOYSA-N 1 2 298.346 1.716 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)[C@H](C)CO1 ZINC000579593755 324228688 /nfs/dbraw/zinc/22/86/88/324228688.db2.gz RUSIMWLRLONUAL-GHMZBOCLSA-N 1 2 271.324 1.210 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)[C@H](C)CO1 ZINC000579593755 324228692 /nfs/dbraw/zinc/22/86/92/324228692.db2.gz RUSIMWLRLONUAL-GHMZBOCLSA-N 1 2 271.324 1.210 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](Nc1cncc(C#N)n1)C1CC1 ZINC000579707092 324258553 /nfs/dbraw/zinc/25/85/53/324258553.db2.gz BWQRUIJLICMESX-LBPRGKRZSA-N 1 2 254.297 1.645 20 30 CDEDLO CC[NH+]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1 ZINC000408229931 327313933 /nfs/dbraw/zinc/31/39/33/327313933.db2.gz ZMNHLPAMIRCOGW-UHFFFAOYSA-N 1 2 299.440 1.428 20 30 CDEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn1C(C)(C)C ZINC000570401449 327589025 /nfs/dbraw/zinc/58/90/25/327589025.db2.gz SRTFPEZNGQORFT-OAHLLOKOSA-N 1 2 291.399 1.520 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000357955857 328880258 /nfs/dbraw/zinc/88/02/58/328880258.db2.gz RTBSIGLKFJBWMJ-LLVKDONJSA-N 1 2 250.346 1.964 20 30 CDEDLO C=C(CC)CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000459084286 329142919 /nfs/dbraw/zinc/14/29/19/329142919.db2.gz HLVUNAKLCRESQP-ZDUSSCGKSA-N 1 2 269.389 1.315 20 30 CDEDLO CCC[C@H](C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000072679845 329858477 /nfs/dbraw/zinc/85/84/77/329858477.db2.gz SXCBJOBJFALUIE-AWEZNQCLSA-N 1 2 281.400 1.497 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCc1ccc(COC)cc1)C1CC1 ZINC000274232075 330104006 /nfs/dbraw/zinc/10/40/06/330104006.db2.gz WRKMZOQPMWFVIJ-UHFFFAOYSA-N 1 2 286.375 1.547 20 30 CDEDLO C#CC[N@H+](CC(=O)NCc1ccc(COC)cc1)C1CC1 ZINC000274232075 330104008 /nfs/dbraw/zinc/10/40/08/330104008.db2.gz WRKMZOQPMWFVIJ-UHFFFAOYSA-N 1 2 286.375 1.547 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424064480 330219187 /nfs/dbraw/zinc/21/91/87/330219187.db2.gz OGKPEHJXMMJKDB-GRYCIOLGSA-N 1 2 261.329 1.263 20 30 CDEDLO COC(=O)[C@H](CS)Nc1cn2cc[nH+]c2cc1OC ZINC001167623401 1159167757 /nfs/dbraw/zinc/16/77/57/1159167757.db2.gz OJBNVNKVKMEWFE-VIFPVBQESA-N 1 2 281.337 1.226 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424190552 330323124 /nfs/dbraw/zinc/32/31/24/330323124.db2.gz MOXHAXLHUZKDDP-TUAOUCFPSA-N 1 2 288.338 1.329 20 30 CDEDLO C=CCC[C@@H]([NH2+]Cc1c[nH]c2nccnc12)C(=O)OCC ZINC000449653495 330942174 /nfs/dbraw/zinc/94/21/74/330942174.db2.gz CIOMRFLYUQPLSR-GFCCVEGCSA-N 1 2 288.351 1.897 20 30 CDEDLO C[C@H]1C[C@@]1(C#N)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000450120893 330962518 /nfs/dbraw/zinc/96/25/18/330962518.db2.gz ZUYPMJIEFORBPZ-OSFYFWSMSA-N 1 2 272.352 1.842 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](F)C1 ZINC000451181380 331019093 /nfs/dbraw/zinc/01/90/93/331019093.db2.gz FHYQRVHGTMLBPE-MDZLAQPJSA-N 1 2 255.337 1.473 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](F)C1 ZINC000451181380 331019094 /nfs/dbraw/zinc/01/90/94/331019094.db2.gz FHYQRVHGTMLBPE-MDZLAQPJSA-N 1 2 255.337 1.473 20 30 CDEDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)N(C)[C@H](C)CC#N ZINC000451925347 331047431 /nfs/dbraw/zinc/04/74/31/331047431.db2.gz FFJJLEBIFQYWGI-MNOVXSKESA-N 1 2 299.400 1.032 20 30 CDEDLO C=C(CC)CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000454151654 331139992 /nfs/dbraw/zinc/13/99/92/331139992.db2.gz NKUFNZGSZAMRSL-UHFFFAOYSA-N 1 2 269.389 1.363 20 30 CDEDLO C=C(CC)CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000454531212 331148046 /nfs/dbraw/zinc/14/80/46/331148046.db2.gz TUNGSAURHCWJAD-UHFFFAOYSA-N 1 2 269.389 1.363 20 30 CDEDLO C=C(CC)CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000454531212 331148047 /nfs/dbraw/zinc/14/80/47/331148047.db2.gz TUNGSAURHCWJAD-UHFFFAOYSA-N 1 2 269.389 1.363 20 30 CDEDLO C=CC(C)(C)CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000454624580 331149997 /nfs/dbraw/zinc/14/99/97/331149997.db2.gz BYUMELGACXLKTM-UHFFFAOYSA-N 1 2 283.416 1.609 20 30 CDEDLO C=CC(C)(C)CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000454624580 331149998 /nfs/dbraw/zinc/14/99/98/331149998.db2.gz BYUMELGACXLKTM-UHFFFAOYSA-N 1 2 283.416 1.609 20 30 CDEDLO C=C(C)CCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000455316703 331165855 /nfs/dbraw/zinc/16/58/55/331165855.db2.gz VZBXRKMGVIACCY-UHFFFAOYSA-N 1 2 288.395 1.875 20 30 CDEDLO C=CCn1cccc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457855275 331236628 /nfs/dbraw/zinc/23/66/28/331236628.db2.gz KQFNKNDMVARKCE-UHFFFAOYSA-N 1 2 258.325 1.380 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458815126 331261208 /nfs/dbraw/zinc/26/12/08/331261208.db2.gz WYENLMRODZDCED-OKILXGFUSA-N 1 2 295.427 1.751 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458815126 331261209 /nfs/dbraw/zinc/26/12/09/331261209.db2.gz WYENLMRODZDCED-OKILXGFUSA-N 1 2 295.427 1.751 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cnc(CC)s1 ZINC000490616964 332095726 /nfs/dbraw/zinc/09/57/26/332095726.db2.gz NDXUOBIMUSFUTR-NSHDSACASA-N 1 2 278.377 1.960 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cnc(CC)s1 ZINC000490616964 332095727 /nfs/dbraw/zinc/09/57/27/332095727.db2.gz NDXUOBIMUSFUTR-NSHDSACASA-N 1 2 278.377 1.960 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000490759686 332112661 /nfs/dbraw/zinc/11/26/61/332112661.db2.gz DUAATFCGTLZYLZ-CQSZACIVSA-N 1 2 272.392 1.734 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000490759686 332112662 /nfs/dbraw/zinc/11/26/62/332112662.db2.gz DUAATFCGTLZYLZ-CQSZACIVSA-N 1 2 272.392 1.734 20 30 CDEDLO C#CCNC(=O)C1CCN(c2[nH+]c(C)nc3[nH]ccc32)CC1 ZINC000491043380 332142018 /nfs/dbraw/zinc/14/20/18/332142018.db2.gz AWPMWYZKZUHYAE-UHFFFAOYSA-N 1 2 297.362 1.232 20 30 CDEDLO C#CCNC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000491125788 332153539 /nfs/dbraw/zinc/15/35/39/332153539.db2.gz HCITYQBKAKDWEE-MRVPVSSYSA-N 1 2 259.231 1.206 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000491546422 332235440 /nfs/dbraw/zinc/23/54/40/332235440.db2.gz VTGBGGKQOLUKHA-RDJZCZTQSA-N 1 2 299.418 1.455 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000491546420 332235499 /nfs/dbraw/zinc/23/54/99/332235499.db2.gz VTGBGGKQOLUKHA-NVXWUHKLSA-N 1 2 299.418 1.455 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C2(CCOCC2)[C@@H]1C1CC1 ZINC000491546477 332235631 /nfs/dbraw/zinc/23/56/31/332235631.db2.gz VYZSREYYYQZNNI-OCCSQVGLSA-N 1 2 276.380 1.315 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C2(CCOCC2)[C@@H]1C1CC1 ZINC000491546477 332235633 /nfs/dbraw/zinc/23/56/33/332235633.db2.gz VYZSREYYYQZNNI-OCCSQVGLSA-N 1 2 276.380 1.315 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000491553774 332236268 /nfs/dbraw/zinc/23/62/68/332236268.db2.gz CLWNLYMFUFNFRV-SNVBAGLBSA-N 1 2 261.281 1.487 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000491553774 332236269 /nfs/dbraw/zinc/23/62/69/332236269.db2.gz CLWNLYMFUFNFRV-SNVBAGLBSA-N 1 2 261.281 1.487 20 30 CDEDLO C#C[C@H](Nc1nc(N(C)C)nc(C)[nH+]1)c1ccc(F)cc1 ZINC000491635922 332257015 /nfs/dbraw/zinc/25/70/15/332257015.db2.gz SIMKKKYIPVIJNH-ZDUSSCGKSA-N 1 2 285.326 1.593 20 30 CDEDLO C#C[C@H](Nc1nc(C)[nH+]c(N(C)C)n1)c1ccc(F)cc1 ZINC000491635922 332257017 /nfs/dbraw/zinc/25/70/17/332257017.db2.gz SIMKKKYIPVIJNH-ZDUSSCGKSA-N 1 2 285.326 1.593 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@H](CCCC)C1=O ZINC000491665844 332274469 /nfs/dbraw/zinc/27/44/69/332274469.db2.gz PQIRKMRFVVPTPF-WDEREUQCSA-N 1 2 251.330 1.008 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@H](CCCC)C1=O ZINC000491665844 332274471 /nfs/dbraw/zinc/27/44/71/332274471.db2.gz PQIRKMRFVVPTPF-WDEREUQCSA-N 1 2 251.330 1.008 20 30 CDEDLO C#C[C@H](NC(=O)Cc1c[nH+]cn1C)c1ccc(F)cc1 ZINC000491666475 332274853 /nfs/dbraw/zinc/27/48/53/332274853.db2.gz QGIQSBNKBLBDIC-AWEZNQCLSA-N 1 2 271.295 1.592 20 30 CDEDLO C#CCN(C(=O)[C@H](C)[NH+]1CCOCC1)C1CCCCC1 ZINC000491673031 332279352 /nfs/dbraw/zinc/27/93/52/332279352.db2.gz SUSNUMMRDOWTAC-AWEZNQCLSA-N 1 2 278.396 1.502 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@H](c2ccccc2)CC1=O ZINC000491692444 332289175 /nfs/dbraw/zinc/28/91/75/332289175.db2.gz HLDGGJHNBWJUSW-DZGCQCFKSA-N 1 2 256.349 1.914 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@H](c2ccccc2)CC1=O ZINC000491692444 332289176 /nfs/dbraw/zinc/28/91/76/332289176.db2.gz HLDGGJHNBWJUSW-DZGCQCFKSA-N 1 2 256.349 1.914 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1=O ZINC000491739107 332318309 /nfs/dbraw/zinc/31/83/09/332318309.db2.gz XGNYTNLLKFNREA-AWYNBESOSA-N 1 2 274.364 1.319 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1=O ZINC000491739107 332318310 /nfs/dbraw/zinc/31/83/10/332318310.db2.gz XGNYTNLLKFNREA-AWYNBESOSA-N 1 2 274.364 1.319 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C[C@](C)(c2ccccc2)C1=O ZINC000491749698 332326612 /nfs/dbraw/zinc/32/66/12/332326612.db2.gz ZRLCQVWSTTXAKA-SUMWQHHRSA-N 1 2 284.359 1.614 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C[C@](C)(c2ccccc2)C1=O ZINC000491749698 332326614 /nfs/dbraw/zinc/32/66/14/332326614.db2.gz ZRLCQVWSTTXAKA-SUMWQHHRSA-N 1 2 284.359 1.614 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1sccc1C(=O)OCC ZINC000491775207 332340924 /nfs/dbraw/zinc/34/09/24/332340924.db2.gz WYEMHIIVUUEABV-SNVBAGLBSA-N 1 2 294.376 1.817 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1sccc1C(=O)OCC ZINC000491775207 332340925 /nfs/dbraw/zinc/34/09/25/332340925.db2.gz WYEMHIIVUUEABV-SNVBAGLBSA-N 1 2 294.376 1.817 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C[C@](C)(c2ccc(C)cc2)C1=O ZINC000491786478 332349201 /nfs/dbraw/zinc/34/92/01/332349201.db2.gz OWRRBUPJEXEZJA-RDTXWAMCSA-N 1 2 298.386 1.923 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C[C@](C)(c2ccc(C)cc2)C1=O ZINC000491786478 332349203 /nfs/dbraw/zinc/34/92/03/332349203.db2.gz OWRRBUPJEXEZJA-RDTXWAMCSA-N 1 2 298.386 1.923 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1ccsc1 ZINC000493467794 332441564 /nfs/dbraw/zinc/44/15/64/332441564.db2.gz UDAOWJQRYSMPPK-DSYXLKISSA-N 1 2 263.366 1.721 20 30 CDEDLO Cc1cccc(C)c1OCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000568944618 334847810 /nfs/dbraw/zinc/84/78/10/334847810.db2.gz GNMWAZLTIWHERP-INIZCTEOSA-N 1 2 289.379 1.642 20 30 CDEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H](CO)O1 ZINC000190146251 333203602 /nfs/dbraw/zinc/20/36/02/333203602.db2.gz QRFGENAVAAENMG-IUODEOHRSA-N 1 2 279.767 1.773 20 30 CDEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H](CO)O1 ZINC000190146251 333203603 /nfs/dbraw/zinc/20/36/03/333203603.db2.gz QRFGENAVAAENMG-IUODEOHRSA-N 1 2 279.767 1.773 20 30 CDEDLO C#CC[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000192238551 333233588 /nfs/dbraw/zinc/23/35/88/333233588.db2.gz VCUJDYZSDIUVDS-UHFFFAOYSA-N 1 2 252.277 1.673 20 30 CDEDLO C#CC[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000192238551 333233589 /nfs/dbraw/zinc/23/35/89/333233589.db2.gz VCUJDYZSDIUVDS-UHFFFAOYSA-N 1 2 252.277 1.673 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000522138212 333248698 /nfs/dbraw/zinc/24/86/98/333248698.db2.gz OTRNBWNJQOMRPX-KGLIPLIRSA-N 1 2 274.368 1.517 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000522138212 333248699 /nfs/dbraw/zinc/24/86/99/333248699.db2.gz OTRNBWNJQOMRPX-KGLIPLIRSA-N 1 2 274.368 1.517 20 30 CDEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(C)(C)C#N)C[C@H](C)O1 ZINC000194736815 333276760 /nfs/dbraw/zinc/27/67/60/333276760.db2.gz FRYQAZMUWDRQLD-TXEJJXNPSA-N 1 2 267.373 1.104 20 30 CDEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(C)(C)C#N)C[C@H](C)O1 ZINC000194736815 333276762 /nfs/dbraw/zinc/27/67/62/333276762.db2.gz FRYQAZMUWDRQLD-TXEJJXNPSA-N 1 2 267.373 1.104 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523506103 333330928 /nfs/dbraw/zinc/33/09/28/333330928.db2.gz XFLFGYDCOYBYBJ-NSHDSACASA-N 1 2 284.323 1.284 20 30 CDEDLO COC(=O)[C@@H](c1cccnc1)[NH+]1CCC(CC#N)CC1 ZINC000541949027 333803254 /nfs/dbraw/zinc/80/32/54/333803254.db2.gz PYIGAGMXCCIFMS-CQSZACIVSA-N 1 2 273.336 1.921 20 30 CDEDLO C=CCNC(=O)C[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000547344706 334081690 /nfs/dbraw/zinc/08/16/90/334081690.db2.gz PZXKOTWTDMQNPL-LBPRGKRZSA-N 1 2 294.317 1.314 20 30 CDEDLO C[C@@H](C#N)C(=O)NCCC[N@H+](C)Cc1cscn1 ZINC001751952940 1159226726 /nfs/dbraw/zinc/22/67/26/1159226726.db2.gz OXZAVXSMTDOIBR-JTQLQIEISA-N 1 2 266.370 1.241 20 30 CDEDLO C[C@@H](C#N)C(=O)NCCC[N@@H+](C)Cc1cscn1 ZINC001751952940 1159226731 /nfs/dbraw/zinc/22/67/31/1159226731.db2.gz OXZAVXSMTDOIBR-JTQLQIEISA-N 1 2 266.370 1.241 20 30 CDEDLO C#CCCCC(=O)N(C)C1C[NH+](CCc2ccns2)C1 ZINC001754574273 1159285415 /nfs/dbraw/zinc/28/54/15/1159285415.db2.gz NMIWWZQYTMIWSX-UHFFFAOYSA-N 1 2 291.420 1.632 20 30 CDEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@H](C)[C@H](C)CC)C1 ZINC001755337770 1159836480 /nfs/dbraw/zinc/83/64/80/1159836480.db2.gz SWEGPOOMRXVETR-ZIAGYGMSSA-N 1 2 280.412 1.245 20 30 CDEDLO C=CCOCCNc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000665710794 482564244 /nfs/dbraw/zinc/56/42/44/482564244.db2.gz VXBQWAQRCCXCLM-OLZOCXBDSA-N 1 2 292.383 1.298 20 30 CDEDLO C=CCOCCNc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000665710794 482564248 /nfs/dbraw/zinc/56/42/48/482564248.db2.gz VXBQWAQRCCXCLM-OLZOCXBDSA-N 1 2 292.383 1.298 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000674753279 483096270 /nfs/dbraw/zinc/09/62/70/483096270.db2.gz IINHIXSXVQMEHH-LBPRGKRZSA-N 1 2 262.357 1.431 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000674753279 483096273 /nfs/dbraw/zinc/09/62/73/483096273.db2.gz IINHIXSXVQMEHH-LBPRGKRZSA-N 1 2 262.357 1.431 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668159263 483589614 /nfs/dbraw/zinc/58/96/14/483589614.db2.gz PBCOXTBEYKJQIQ-LBPRGKRZSA-N 1 2 288.351 1.949 20 30 CDEDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000093417381 535645513 /nfs/dbraw/zinc/64/55/13/535645513.db2.gz WBJCOXWSBBQJTR-JTQLQIEISA-N 1 2 286.422 1.875 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2(NC(C)=O)CCCCC2)CC1 ZINC001113028060 1162076364 /nfs/dbraw/zinc/07/63/64/1162076364.db2.gz QINJWRQSKAZRLQ-UHFFFAOYSA-N 1 2 293.411 1.156 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)C2(COCC)CC2)CC1 ZINC001113035404 1162079871 /nfs/dbraw/zinc/07/98/71/1162079871.db2.gz YFWXXPNVYIOWDW-UHFFFAOYSA-N 1 2 296.411 1.150 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)nn1C ZINC000336854596 524699374 /nfs/dbraw/zinc/69/93/74/524699374.db2.gz FQWHXNRSANPGJV-UHFFFAOYSA-N 1 2 295.390 1.922 20 30 CDEDLO CC#CCCCC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000347614950 526296994 /nfs/dbraw/zinc/29/69/94/526296994.db2.gz AORHKRMXWSBTTD-CQSZACIVSA-N 1 2 266.385 1.407 20 30 CDEDLO CC#CCCCC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000347614950 526296999 /nfs/dbraw/zinc/29/69/99/526296999.db2.gz AORHKRMXWSBTTD-CQSZACIVSA-N 1 2 266.385 1.407 20 30 CDEDLO C=CC1CCN(C(=O)[C@H]([NH3+])c2cscn2)CC1 ZINC000335007088 526973271 /nfs/dbraw/zinc/97/32/71/526973271.db2.gz DSPGTNOMGQQUCY-LLVKDONJSA-N 1 2 251.355 1.568 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCCCNc1cccc[nH+]1 ZINC000115161249 527378542 /nfs/dbraw/zinc/37/85/42/527378542.db2.gz PLGTYCPFDPAICD-ZDUSSCGKSA-N 1 2 277.368 1.981 20 30 CDEDLO CC(C)[C@@H]1C[C@@H](NC(=O)NCC[NH+]2CCOCC2)CCO1 ZINC000329132446 528762185 /nfs/dbraw/zinc/76/21/85/528762185.db2.gz YJAHVSZEIOTTFL-KBPBESRZSA-N 1 2 299.415 1.026 20 30 CDEDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1cc(C#N)cs1 ZINC000093417381 535645510 /nfs/dbraw/zinc/64/55/10/535645510.db2.gz WBJCOXWSBBQJTR-JTQLQIEISA-N 1 2 286.422 1.875 20 30 CDEDLO N#Cc1cccnc1NCCNC(=O)CCCn1cc[nH+]c1 ZINC000729340453 574751859 /nfs/dbraw/zinc/75/18/59/574751859.db2.gz JTUBYKWEKKSVBB-UHFFFAOYSA-N 1 2 298.350 1.158 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(C)=O)c(C)c1 ZINC000730275547 574907645 /nfs/dbraw/zinc/90/76/45/574907645.db2.gz LVMUEYYAFFZMMI-INIZCTEOSA-N 1 2 299.374 1.990 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(C)=O)c(C)c1 ZINC000730275547 574907648 /nfs/dbraw/zinc/90/76/48/574907648.db2.gz LVMUEYYAFFZMMI-INIZCTEOSA-N 1 2 299.374 1.990 20 30 CDEDLO C#CC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000753951993 574985041 /nfs/dbraw/zinc/98/50/41/574985041.db2.gz CRSKWQWTBGBMLQ-JTQLQIEISA-N 1 2 263.366 1.947 20 30 CDEDLO C#CC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000753951993 574985043 /nfs/dbraw/zinc/98/50/43/574985043.db2.gz CRSKWQWTBGBMLQ-JTQLQIEISA-N 1 2 263.366 1.947 20 30 CDEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)CCN1C ZINC000731360526 575045717 /nfs/dbraw/zinc/04/57/17/575045717.db2.gz GWXAMKHPDRAAEM-LLVKDONJSA-N 1 2 292.408 1.584 20 30 CDEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)CCN1C ZINC000731360526 575045720 /nfs/dbraw/zinc/04/57/20/575045720.db2.gz GWXAMKHPDRAAEM-LLVKDONJSA-N 1 2 292.408 1.584 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)nc1 ZINC000732056630 575077690 /nfs/dbraw/zinc/07/76/90/575077690.db2.gz WZOMLPNQMKWHOU-NSHDSACASA-N 1 2 263.728 1.771 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)nc1 ZINC000732056630 575077691 /nfs/dbraw/zinc/07/76/91/575077691.db2.gz WZOMLPNQMKWHOU-NSHDSACASA-N 1 2 263.728 1.771 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc([S@](C)=O)c1 ZINC000732122684 575080730 /nfs/dbraw/zinc/08/07/30/575080730.db2.gz GHVJOLOBPIGMMJ-XOBRGWDASA-N 1 2 290.388 1.460 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc([S@](C)=O)c1 ZINC000732122684 575080731 /nfs/dbraw/zinc/08/07/31/575080731.db2.gz GHVJOLOBPIGMMJ-XOBRGWDASA-N 1 2 290.388 1.460 20 30 CDEDLO C#C[C@H](CC)OC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000774484939 575208262 /nfs/dbraw/zinc/20/82/62/575208262.db2.gz WLATXQPRZSOLHV-GFCCVEGCSA-N 1 2 255.277 1.836 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C3CC3)cc2)CC1 ZINC000771684896 575604254 /nfs/dbraw/zinc/60/42/54/575604254.db2.gz VGMUKWDWPDTUEP-UHFFFAOYSA-N 1 2 297.402 1.753 20 30 CDEDLO N#CCCN1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000760945571 576528088 /nfs/dbraw/zinc/52/80/88/576528088.db2.gz ZZIDAQQNEIKHHE-HNNXBMFYSA-N 1 2 295.333 1.529 20 30 CDEDLO COc1ccc(C[NH2+]Cc2nnnn2C2CC2)cc1C#N ZINC000742388461 576599644 /nfs/dbraw/zinc/59/96/44/576599644.db2.gz VICCRGCPNMZORO-UHFFFAOYSA-N 1 2 284.323 1.178 20 30 CDEDLO CCN(CC#N)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000743892848 576659876 /nfs/dbraw/zinc/65/98/76/576659876.db2.gz HRVDKNAITYAMRW-UHFFFAOYSA-N 1 2 255.281 1.253 20 30 CDEDLO COCC#CC[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000762926551 576694669 /nfs/dbraw/zinc/69/46/69/576694669.db2.gz SPGVAGVGXXACTF-UHFFFAOYSA-N 1 2 292.354 1.606 20 30 CDEDLO C[N@H+](CC(=O)NCCC#N)Cc1ccc(Cl)c(F)c1 ZINC000762927983 576694788 /nfs/dbraw/zinc/69/47/88/576694788.db2.gz OTBYBFGDQLLYEN-UHFFFAOYSA-N 1 2 283.734 1.941 20 30 CDEDLO C[N@@H+](CC(=O)NCCC#N)Cc1ccc(Cl)c(F)c1 ZINC000762927983 576694790 /nfs/dbraw/zinc/69/47/90/576694790.db2.gz OTBYBFGDQLLYEN-UHFFFAOYSA-N 1 2 283.734 1.941 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000746456817 576776992 /nfs/dbraw/zinc/77/69/92/576776992.db2.gz LSCTTYWBJSEPGL-UHFFFAOYSA-N 1 2 299.374 1.472 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000746456817 576776993 /nfs/dbraw/zinc/77/69/93/576776993.db2.gz LSCTTYWBJSEPGL-UHFFFAOYSA-N 1 2 299.374 1.472 20 30 CDEDLO O=C(C#Cc1ccccc1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000747200539 576862619 /nfs/dbraw/zinc/86/26/19/576862619.db2.gz ZFKNSGVEISQSOD-QGZVFWFLSA-N 1 2 298.386 1.361 20 30 CDEDLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)c1cccc(C#N)c1 ZINC000748291353 576904230 /nfs/dbraw/zinc/90/42/30/576904230.db2.gz RWXIQPQMLDSKCI-AWEZNQCLSA-N 1 2 286.331 1.768 20 30 CDEDLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)c1cccc(C#N)c1 ZINC000748291353 576904232 /nfs/dbraw/zinc/90/42/32/576904232.db2.gz RWXIQPQMLDSKCI-AWEZNQCLSA-N 1 2 286.331 1.768 20 30 CDEDLO C=CCN(C(=O)[C@H](C)[NH+]1CCN(C)CC1)C(C)C ZINC000755246386 576937302 /nfs/dbraw/zinc/93/73/02/576937302.db2.gz YXADOAYJCKVGCD-ZDUSSCGKSA-N 1 2 253.390 1.045 20 30 CDEDLO COc1nc(N)nc(N2CCCC2)c1C=[NH+]OCC(C)C ZINC000749635967 576956113 /nfs/dbraw/zinc/95/61/13/576956113.db2.gz BLICTVDRVVSQQO-UHFFFAOYSA-N 1 2 293.371 1.674 20 30 CDEDLO Cn1c[nH+]cc1C=NNc1ccccc1S(C)(=O)=O ZINC000755726535 576957552 /nfs/dbraw/zinc/95/75/52/576957552.db2.gz DOJGUUHSHHQAOM-UHFFFAOYSA-N 1 2 278.337 1.270 20 30 CDEDLO CCN(CC)c1ccnc(N=NCc2[nH+]ccn2CC)n1 ZINC000755773152 576960488 /nfs/dbraw/zinc/96/04/88/576960488.db2.gz RMNCRXDJXUMNBH-UHFFFAOYSA-N 1 2 287.371 1.985 20 30 CDEDLO O=c1[nH]c(N=NC2C[NH+]3CCC2CC3)nc2ccccc21 ZINC000757584048 577043527 /nfs/dbraw/zinc/04/35/27/577043527.db2.gz RJIUGYWEAMYKEJ-UHFFFAOYSA-N 1 2 283.335 1.829 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC)c1c(C)noc1C ZINC000757601292 577045231 /nfs/dbraw/zinc/04/52/31/577045231.db2.gz ZBWRHLFPCPCAHV-KBPBESRZSA-N 1 2 289.379 1.956 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC)c1c(C)noc1C ZINC000757601292 577045234 /nfs/dbraw/zinc/04/52/34/577045234.db2.gz ZBWRHLFPCPCAHV-KBPBESRZSA-N 1 2 289.379 1.956 20 30 CDEDLO C=CCOCC(=O)OCc1cc(OC)cc(C)[nH+]1 ZINC000757718565 577052078 /nfs/dbraw/zinc/05/20/78/577052078.db2.gz VXLPUAUMTPTMHT-UHFFFAOYSA-N 1 2 251.282 1.644 20 30 CDEDLO COC[C@H](C#N)OC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000751606244 577054274 /nfs/dbraw/zinc/05/42/74/577054274.db2.gz PVKPMHFGKOWFNW-STQMWFEESA-N 1 2 262.309 1.371 20 30 CDEDLO N#Cc1cccn(C[N@@H+]2CCC[C@@H]2c2ccccn2)c1=O ZINC000758198275 577080777 /nfs/dbraw/zinc/08/07/77/577080777.db2.gz NKHTVSXXVCMWRJ-OAHLLOKOSA-N 1 2 280.331 1.910 20 30 CDEDLO N#Cc1cccn(C[N@H+]2CCC[C@@H]2c2ccccn2)c1=O ZINC000758198275 577080778 /nfs/dbraw/zinc/08/07/78/577080778.db2.gz NKHTVSXXVCMWRJ-OAHLLOKOSA-N 1 2 280.331 1.910 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)OC1CCCC1 ZINC000752705816 577119741 /nfs/dbraw/zinc/11/97/41/577119741.db2.gz GWABCXHOPBKIHS-JSGCOSHPSA-N 1 2 292.379 1.075 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)OC1CCCC1 ZINC000752705816 577119743 /nfs/dbraw/zinc/11/97/43/577119743.db2.gz GWABCXHOPBKIHS-JSGCOSHPSA-N 1 2 292.379 1.075 20 30 CDEDLO N#Cc1ccc(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)o1 ZINC000822826294 599457709 /nfs/dbraw/zinc/45/77/09/599457709.db2.gz WAFDYGFIUAGXJK-UHFFFAOYSA-N 1 2 298.281 1.760 20 30 CDEDLO C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cncc(C(=O)[O-])c1 ZINC001602713728 1175372371 /nfs/dbraw/zinc/37/23/71/1175372371.db2.gz QNUGVMYZIFTMCY-LBPRGKRZSA-N 1 2 275.352 1.386 20 30 CDEDLO C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cncc(C(=O)[O-])c1 ZINC001602713728 1175372379 /nfs/dbraw/zinc/37/23/79/1175372379.db2.gz QNUGVMYZIFTMCY-LBPRGKRZSA-N 1 2 275.352 1.386 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc3cc[nH]c3n2)C1 ZINC000950565971 612992004 /nfs/dbraw/zinc/99/20/04/612992004.db2.gz KHCITBBBJHNJOG-UHFFFAOYSA-N 1 2 296.374 1.733 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccn(C(F)F)n2)C1 ZINC000950422249 612992312 /nfs/dbraw/zinc/99/23/12/612992312.db2.gz ZIWNZWXVMHZHHF-UHFFFAOYSA-N 1 2 296.321 1.448 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2nccc3[nH]ccc32)C1 ZINC000951770472 612993153 /nfs/dbraw/zinc/99/31/53/612993153.db2.gz FXQHXXXOEBOFAY-UHFFFAOYSA-N 1 2 296.374 1.733 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2occc2C)C1 ZINC000949678345 612993303 /nfs/dbraw/zinc/99/33/03/612993303.db2.gz AUZWEFRUQPIKHJ-UHFFFAOYSA-N 1 2 260.337 1.758 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2cc(COC)cs2)CC1 ZINC000981555804 613156950 /nfs/dbraw/zinc/15/69/50/613156950.db2.gz AAVDMMWWYQRLLY-UHFFFAOYSA-N 1 2 292.404 1.676 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc(COC)cs2)CC1 ZINC000981555804 613156951 /nfs/dbraw/zinc/15/69/51/613156951.db2.gz AAVDMMWWYQRLLY-UHFFFAOYSA-N 1 2 292.404 1.676 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2nc(C)ncc2Cl)CC1 ZINC000982080888 613160530 /nfs/dbraw/zinc/16/05/30/613160530.db2.gz DBLNYGHMOWXBSW-UHFFFAOYSA-N 1 2 292.770 1.220 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2nc(C)ncc2Cl)CC1 ZINC000982080888 613160533 /nfs/dbraw/zinc/16/05/33/613160533.db2.gz DBLNYGHMOWXBSW-UHFFFAOYSA-N 1 2 292.770 1.220 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2nn(C)c(C)c2Cl)CC1 ZINC000982053228 613160727 /nfs/dbraw/zinc/16/07/27/613160727.db2.gz WSKDXNBMXYXKTI-UHFFFAOYSA-N 1 2 294.786 1.163 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2nn(C)c(C)c2Cl)CC1 ZINC000982053228 613160729 /nfs/dbraw/zinc/16/07/29/613160729.db2.gz WSKDXNBMXYXKTI-UHFFFAOYSA-N 1 2 294.786 1.163 20 30 CDEDLO C#Cc1ccc(C(=O)N(CC)C2C[NH+](CC(=C)C)C2)cn1 ZINC000957289701 613166696 /nfs/dbraw/zinc/16/66/96/613166696.db2.gz DWSPOVUTAZKBNQ-UHFFFAOYSA-N 1 2 283.375 1.785 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2nccs2)C1 ZINC000968467658 613217180 /nfs/dbraw/zinc/21/71/80/613217180.db2.gz GJJRGRZKFFCEAW-MNOVXSKESA-N 1 2 263.366 1.217 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2nccs2)C1 ZINC000968467658 613217183 /nfs/dbraw/zinc/21/71/83/613217183.db2.gz GJJRGRZKFFCEAW-MNOVXSKESA-N 1 2 263.366 1.217 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC000949635546 613241027 /nfs/dbraw/zinc/24/10/27/613241027.db2.gz AXSDSUAPLGRADD-UHFFFAOYSA-N 1 2 290.411 1.667 20 30 CDEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccn[nH]1 ZINC000948894766 613280061 /nfs/dbraw/zinc/28/00/61/613280061.db2.gz PKKKRPKQVZBFFW-MRXNPFEDSA-N 1 2 294.358 1.372 20 30 CDEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccn[nH]1 ZINC000948894766 613280063 /nfs/dbraw/zinc/28/00/63/613280063.db2.gz PKKKRPKQVZBFFW-MRXNPFEDSA-N 1 2 294.358 1.372 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cn(CC)cn2)C1 ZINC000957283344 613296896 /nfs/dbraw/zinc/29/68/96/613296896.db2.gz WARHATCJAAGTEC-UHFFFAOYSA-N 1 2 276.384 1.625 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2nn(CC)nc2C)C1 ZINC000957466780 613298242 /nfs/dbraw/zinc/29/82/42/613298242.db2.gz VSNGPJKVPJCKSU-UHFFFAOYSA-N 1 2 291.399 1.329 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2scnc2CC)C(C)(C)C1 ZINC000974648890 613301732 /nfs/dbraw/zinc/30/17/32/613301732.db2.gz CIGJKKYJUIBPLS-LBPRGKRZSA-N 1 2 291.420 1.779 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2scnc2CC)C(C)(C)C1 ZINC000974648890 613301734 /nfs/dbraw/zinc/30/17/34/613301734.db2.gz CIGJKKYJUIBPLS-LBPRGKRZSA-N 1 2 291.420 1.779 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H]2C[C@@H](C)CO2)CC1 ZINC000949368145 613318180 /nfs/dbraw/zinc/31/81/80/613318180.db2.gz VFJDYBOYZGKGEB-OLZOCXBDSA-N 1 2 252.358 1.132 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2c[nH]nc2CCC)CC1 ZINC000949049845 613319983 /nfs/dbraw/zinc/31/99/83/613319983.db2.gz VHGQQBLSXLWZMD-UHFFFAOYSA-N 1 2 276.384 1.696 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)c3cnon3)C2)C1 ZINC000982077022 613372726 /nfs/dbraw/zinc/37/27/26/613372726.db2.gz RBGRMPALDLMJDD-UHFFFAOYSA-N 1 2 296.758 1.360 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)c3cnon3)C2)C1 ZINC000982077022 613372727 /nfs/dbraw/zinc/37/27/27/613372727.db2.gz RBGRMPALDLMJDD-UHFFFAOYSA-N 1 2 296.758 1.360 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCn2cccn2)CC1 ZINC000980726346 613373336 /nfs/dbraw/zinc/37/33/36/613373336.db2.gz OUMXWHHOJLYDAU-UHFFFAOYSA-N 1 2 296.802 1.560 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCn2cccn2)CC1 ZINC000980726346 613373337 /nfs/dbraw/zinc/37/33/37/613373337.db2.gz OUMXWHHOJLYDAU-UHFFFAOYSA-N 1 2 296.802 1.560 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2[nH]nnc2C)C(C)(C)C1 ZINC000974929491 613381325 /nfs/dbraw/zinc/38/13/25/613381325.db2.gz KCUSHSLLKYBSFR-JTQLQIEISA-N 1 2 297.790 1.306 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2[nH]nnc2C)C(C)(C)C1 ZINC000974929491 613381326 /nfs/dbraw/zinc/38/13/26/613381326.db2.gz KCUSHSLLKYBSFR-JTQLQIEISA-N 1 2 297.790 1.306 20 30 CDEDLO C=C1CCC(C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC2(C)C)CC1 ZINC000974990083 613412686 /nfs/dbraw/zinc/41/26/86/613412686.db2.gz WMZUYJDEUVOYOK-ZDUSSCGKSA-N 1 2 293.411 1.045 20 30 CDEDLO C=C1CCC(C(=O)N[C@H]2C[N@H+](CC(N)=O)CC2(C)C)CC1 ZINC000974990083 613412689 /nfs/dbraw/zinc/41/26/89/613412689.db2.gz WMZUYJDEUVOYOK-ZDUSSCGKSA-N 1 2 293.411 1.045 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CC[C@@H]2CC(C)(C)CO2)CC1 ZINC000957459647 613562072 /nfs/dbraw/zinc/56/20/72/613562072.db2.gz VQJAZVWNOIHDBU-OAHLLOKOSA-N 1 2 292.423 1.749 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H]2CC[C@@H](C)O2)CC1 ZINC000950025388 613563132 /nfs/dbraw/zinc/56/31/32/613563132.db2.gz XPZHKRNNUKENNE-ZIAGYGMSSA-N 1 2 264.369 1.112 20 30 CDEDLO Cc1cn(C(C)(C)C(=O)NCC#C[C@H]2CCCCO2)c[nH+]1 ZINC000891107551 617363982 /nfs/dbraw/zinc/36/39/82/617363982.db2.gz RTVQWJVSUGSPIU-CQSZACIVSA-N 1 2 289.379 1.615 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)C2CC(OCC)C2)C1 ZINC000949989225 613653017 /nfs/dbraw/zinc/65/30/17/613653017.db2.gz TZWVSIRNCGDUOS-UHFFFAOYSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccnc3[nH]cnc32)C1 ZINC000950438257 613658226 /nfs/dbraw/zinc/65/82/26/613658226.db2.gz XNCLWEUAZMVHJI-UHFFFAOYSA-N 1 2 285.351 1.290 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCc3cccnc32)CC1 ZINC000949899671 613711352 /nfs/dbraw/zinc/71/13/52/613711352.db2.gz IKOATSMBUZKHSV-CQSZACIVSA-N 1 2 271.364 1.442 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@H](C)Cc3cn[nH]c32)CC1 ZINC000949837656 613711814 /nfs/dbraw/zinc/71/18/14/613711814.db2.gz SGTBWSIADUSTNC-TZMCWYRMSA-N 1 2 288.395 1.406 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCO[C@H]2C(=C)C)CC1 ZINC000951581673 613712933 /nfs/dbraw/zinc/71/29/33/613712933.db2.gz FIOHEMWUUCRCAD-GJZGRUSLSA-N 1 2 278.396 1.688 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c(C)[nH]cc2NC(C)=O)CC1 ZINC000949005453 613714148 /nfs/dbraw/zinc/71/41/48/613714148.db2.gz OCXPXMDJENVOEQ-UHFFFAOYSA-N 1 2 290.367 1.225 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(-c3nc[nH]n3)cc2)CC1 ZINC000957054571 613715780 /nfs/dbraw/zinc/71/57/80/613715780.db2.gz ZEKFHTOZOQCBQI-UHFFFAOYSA-N 1 2 297.362 1.416 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc3cn[nH]c32)CC1 ZINC000949586572 613717119 /nfs/dbraw/zinc/71/71/19/613717119.db2.gz JSEPPMSDZGKRMP-UHFFFAOYSA-N 1 2 270.336 1.507 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(C)CC(=C)C3)C2)C1 ZINC000972544782 613722930 /nfs/dbraw/zinc/72/29/30/613722930.db2.gz WEKHLWRHBQIZKY-KRWDZBQOSA-N 1 2 290.407 1.832 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(C)CC(=C)C3)C2)C1 ZINC000972544782 613722931 /nfs/dbraw/zinc/72/29/31/613722931.db2.gz WEKHLWRHBQIZKY-KRWDZBQOSA-N 1 2 290.407 1.832 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nccs3)C2)C1 ZINC000972610043 613724390 /nfs/dbraw/zinc/72/43/90/613724390.db2.gz ZUKUVPZRQPRSGR-AWEZNQCLSA-N 1 2 293.392 1.246 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nccs3)C2)C1 ZINC000972610043 613724391 /nfs/dbraw/zinc/72/43/91/613724391.db2.gz ZUKUVPZRQPRSGR-AWEZNQCLSA-N 1 2 293.392 1.246 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CCCC3)C2)C1 ZINC000972212404 613725233 /nfs/dbraw/zinc/72/52/33/613725233.db2.gz VCTXOGRSUKBAOK-MRXNPFEDSA-N 1 2 278.396 1.666 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CCCC3)C2)C1 ZINC000972212404 613725236 /nfs/dbraw/zinc/72/52/36/613725236.db2.gz VCTXOGRSUKBAOK-MRXNPFEDSA-N 1 2 278.396 1.666 20 30 CDEDLO C=C1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000891512690 617453685 /nfs/dbraw/zinc/45/36/85/617453685.db2.gz UWNDNXZLVMZZIY-UHFFFAOYSA-N 1 2 281.400 1.459 20 30 CDEDLO CCn1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC000971208968 616029326 /nfs/dbraw/zinc/02/93/26/616029326.db2.gz BFZVGEHLHTZCCY-JSGCOSHPSA-N 1 2 289.383 1.095 20 30 CDEDLO CCn1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC000971208968 616029329 /nfs/dbraw/zinc/02/93/29/616029329.db2.gz BFZVGEHLHTZCCY-JSGCOSHPSA-N 1 2 289.383 1.095 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2ccccc2)CC1=NNS(C)(=O)=O ZINC000776188184 617603247 /nfs/dbraw/zinc/60/32/47/617603247.db2.gz WWORJTZLTHBXGG-LBPRGKRZSA-N 1 2 295.408 1.434 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2ccccc2)CC1=NNS(C)(=O)=O ZINC000776188184 617603251 /nfs/dbraw/zinc/60/32/51/617603251.db2.gz WWORJTZLTHBXGG-LBPRGKRZSA-N 1 2 295.408 1.434 20 30 CDEDLO Cc1cc[nH+]c(N)c1CN1CCN(C2CC2)[C@H](C#N)C1 ZINC000894025037 618259565 /nfs/dbraw/zinc/25/95/65/618259565.db2.gz RPJXTKDVGRCIOL-CYBMUJFWSA-N 1 2 271.368 1.144 20 30 CDEDLO C=CCC[C@@H](CO)Nc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000894112438 618445761 /nfs/dbraw/zinc/44/57/61/618445761.db2.gz GQTBHCBNQYAZEY-NEPJUHHUSA-N 1 2 280.372 1.398 20 30 CDEDLO C=CCC[C@@H](CO)Nc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000894112438 618445769 /nfs/dbraw/zinc/44/57/69/618445769.db2.gz GQTBHCBNQYAZEY-NEPJUHHUSA-N 1 2 280.372 1.398 20 30 CDEDLO C#C[C@H]1COCCN1c1[nH+]cnc2[nH]cc(CC)c21 ZINC000894166775 618645111 /nfs/dbraw/zinc/64/51/11/618645111.db2.gz GCXUPUMKXGAGGK-NSHDSACASA-N 1 2 256.309 1.359 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](CCC(=O)OC)C1 ZINC000880043959 618875050 /nfs/dbraw/zinc/87/50/50/618875050.db2.gz UPVJRKMJMUIHPO-RYUDHWBXSA-N 1 2 269.341 1.379 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](CCC(=O)OC)C1 ZINC000880043959 618875051 /nfs/dbraw/zinc/87/50/51/618875051.db2.gz UPVJRKMJMUIHPO-RYUDHWBXSA-N 1 2 269.341 1.379 20 30 CDEDLO COc1cc(OC)c(C[NH2+][C@H]2CCCN(O)C2=O)cc1F ZINC000895157282 619372590 /nfs/dbraw/zinc/37/25/90/619372590.db2.gz OTTFZYHRYGIRMF-NSHDSACASA-N 1 2 298.314 1.313 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2ccc(F)c(F)c2F)CCCN1O ZINC000895158072 619373949 /nfs/dbraw/zinc/37/39/49/619373949.db2.gz WHADAMNYHFZIOJ-SECBINFHSA-N 1 2 274.242 1.574 20 30 CDEDLO N#Cc1cncc(N2CCC(Nc3cccc[nH+]3)CC2)n1 ZINC000895349926 619593291 /nfs/dbraw/zinc/59/32/91/619593291.db2.gz PLQBQRNTMSATNK-UHFFFAOYSA-N 1 2 280.335 1.824 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)Nc1cc(C)ncc1C#N ZINC000895801568 619851243 /nfs/dbraw/zinc/85/12/43/619851243.db2.gz QOJYCNNYIAFYPF-AWEZNQCLSA-N 1 2 274.368 1.206 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)Nc1nc(C)ccc1C#N ZINC000895802490 619852543 /nfs/dbraw/zinc/85/25/43/619852543.db2.gz UHMYTWFIFIVHOE-AWEZNQCLSA-N 1 2 274.368 1.784 20 30 CDEDLO C=C1CCC(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000896222099 620027426 /nfs/dbraw/zinc/02/74/26/620027426.db2.gz LUTMECZQEHQJJB-CQSZACIVSA-N 1 2 279.428 1.485 20 30 CDEDLO C#Cc1cncc(-c2noc([C@@H]3C[N@H+](CC)CCO3)n2)c1 ZINC000896553911 620143220 /nfs/dbraw/zinc/14/32/20/620143220.db2.gz CQPHGEYCYPBPSR-ZDUSSCGKSA-N 1 2 284.319 1.506 20 30 CDEDLO C#Cc1cncc(-c2noc([C@@H]3C[N@@H+](CC)CCO3)n2)c1 ZINC000896553911 620143222 /nfs/dbraw/zinc/14/32/22/620143222.db2.gz CQPHGEYCYPBPSR-ZDUSSCGKSA-N 1 2 284.319 1.506 20 30 CDEDLO CCn1c[nH+]c2c1CCN(c1ncncc1C#N)C2 ZINC000896655392 620185125 /nfs/dbraw/zinc/18/51/25/620185125.db2.gz WHHQEEKNAMUMRV-UHFFFAOYSA-N 1 2 254.297 1.127 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897553681 620987156 /nfs/dbraw/zinc/98/71/56/620987156.db2.gz VVPMSOBZLFITFG-SMDDNHRTSA-N 1 2 274.368 1.708 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897553681 620987158 /nfs/dbraw/zinc/98/71/58/620987158.db2.gz VVPMSOBZLFITFG-SMDDNHRTSA-N 1 2 274.368 1.708 20 30 CDEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCC2(C#N)CCC2)[nH]n1 ZINC000897991886 621275425 /nfs/dbraw/zinc/27/54/25/621275425.db2.gz NMWAWHRWPPPWNF-ZDUSSCGKSA-N 1 2 287.367 1.600 20 30 CDEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCC2(C#N)CCC2)[nH]n1 ZINC000897991886 621275431 /nfs/dbraw/zinc/27/54/31/621275431.db2.gz NMWAWHRWPPPWNF-ZDUSSCGKSA-N 1 2 287.367 1.600 20 30 CDEDLO C=CCCONC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000898939855 621978532 /nfs/dbraw/zinc/97/85/32/621978532.db2.gz XTTSWRFSGZDWBT-LBPRGKRZSA-N 1 2 264.329 1.414 20 30 CDEDLO C=CCCONC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000898939855 621978533 /nfs/dbraw/zinc/97/85/33/621978533.db2.gz XTTSWRFSGZDWBT-LBPRGKRZSA-N 1 2 264.329 1.414 20 30 CDEDLO NC(=[NH+]OCc1nncs1)c1ccc2c(c1)CCO2 ZINC000902302832 624654190 /nfs/dbraw/zinc/65/41/90/624654190.db2.gz CONYVIUCXIVFLG-UHFFFAOYSA-N 1 2 276.321 1.310 20 30 CDEDLO C#CC[C@H](CCOC)[NH2+][C@@H](C(=O)OC)[C@@H](C)CC ZINC000905775851 626959016 /nfs/dbraw/zinc/95/90/16/626959016.db2.gz CBXUABOPQRDDKZ-YNEHKIRRSA-N 1 2 255.358 1.592 20 30 CDEDLO C#CC[N@H+](CN1C(=O)[C@@H](C2CC2)[C@H]1C1CC1)C(C)C ZINC000905747685 626944140 /nfs/dbraw/zinc/94/41/40/626944140.db2.gz ANGDMZOLYRHPIR-LSDHHAIUSA-N 1 2 260.381 1.935 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)[C@@H](C2CC2)[C@H]1C1CC1)C(C)C ZINC000905747685 626944142 /nfs/dbraw/zinc/94/41/42/626944142.db2.gz ANGDMZOLYRHPIR-LSDHHAIUSA-N 1 2 260.381 1.935 20 30 CDEDLO C=CC[N@H+](Cc1cn(-c2ccn(C)n2)nn1)C(C)C ZINC000906257235 627154475 /nfs/dbraw/zinc/15/44/75/627154475.db2.gz ATWYNIDOHAMCCZ-UHFFFAOYSA-N 1 2 260.345 1.397 20 30 CDEDLO C=CC[N@@H+](Cc1cn(-c2ccn(C)n2)nn1)C(C)C ZINC000906257235 627154476 /nfs/dbraw/zinc/15/44/76/627154476.db2.gz ATWYNIDOHAMCCZ-UHFFFAOYSA-N 1 2 260.345 1.397 20 30 CDEDLO N#C[C@H]1C[N@H+](CC2CCSCC2)CCN1C1CC1 ZINC000876734113 630561277 /nfs/dbraw/zinc/56/12/77/630561277.db2.gz PHVWQVTXXIFEPE-AWEZNQCLSA-N 1 2 265.426 1.802 20 30 CDEDLO N#C[C@H]1C[N@@H+](CC2CCSCC2)CCN1C1CC1 ZINC000876734113 630561278 /nfs/dbraw/zinc/56/12/78/630561278.db2.gz PHVWQVTXXIFEPE-AWEZNQCLSA-N 1 2 265.426 1.802 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001006883873 684359296 /nfs/dbraw/zinc/35/92/96/684359296.db2.gz UJKVYAZHSXKLSF-NEPJUHHUSA-N 1 2 272.776 1.356 20 30 CDEDLO C=CCN1CC(=O)N(Cc2cc(C)[nH+]c(C)c2)C1=O ZINC000817573254 685284346 /nfs/dbraw/zinc/28/43/46/685284346.db2.gz LZSHDGHPKYFACQ-UHFFFAOYSA-N 1 2 259.309 1.649 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001038464405 685325566 /nfs/dbraw/zinc/32/55/66/685325566.db2.gz CKEYKRVKPMRGLH-CQSZACIVSA-N 1 2 269.348 1.396 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001038464405 685325573 /nfs/dbraw/zinc/32/55/73/685325573.db2.gz CKEYKRVKPMRGLH-CQSZACIVSA-N 1 2 269.348 1.396 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC001043499127 685323905 /nfs/dbraw/zinc/32/39/05/685323905.db2.gz GDCZAWKGOTYXPE-AWEZNQCLSA-N 1 2 299.374 1.441 20 30 CDEDLO C#CC[N@H+]1CC[C@@](C)(NC(=O)c2ncc(Cl)s2)C1 ZINC001046484126 685335214 /nfs/dbraw/zinc/33/52/14/685335214.db2.gz ZLCQBDSOJFGYOP-GFCCVEGCSA-N 1 2 283.784 1.624 20 30 CDEDLO C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2ncc(Cl)s2)C1 ZINC001046484126 685335220 /nfs/dbraw/zinc/33/52/20/685335220.db2.gz ZLCQBDSOJFGYOP-GFCCVEGCSA-N 1 2 283.784 1.624 20 30 CDEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CC[N@@H+]1C ZINC000785409352 685364516 /nfs/dbraw/zinc/36/45/16/685364516.db2.gz KBJKOBMHWUKAES-SNVBAGLBSA-N 1 2 259.309 1.040 20 30 CDEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CC[N@H+]1C ZINC000785409352 685364524 /nfs/dbraw/zinc/36/45/24/685364524.db2.gz KBJKOBMHWUKAES-SNVBAGLBSA-N 1 2 259.309 1.040 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccsc2)C1 ZINC001035279865 685390219 /nfs/dbraw/zinc/39/02/19/685390219.db2.gz RBLBNWIQMNNZDZ-ZDUSSCGKSA-N 1 2 278.377 1.202 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccsc2)C1 ZINC001035279865 685390220 /nfs/dbraw/zinc/39/02/20/685390220.db2.gz RBLBNWIQMNNZDZ-ZDUSSCGKSA-N 1 2 278.377 1.202 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCCO[C@@H](C)C#N)ccc1F ZINC000802727788 685457786 /nfs/dbraw/zinc/45/77/86/685457786.db2.gz BTXNZFTYAKFREN-JTQLQIEISA-N 1 2 265.288 1.700 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2ccccc2O1 ZINC001038820758 685474372 /nfs/dbraw/zinc/47/43/72/685474372.db2.gz MFOGNLHUDZKJFH-HOCLYGCPSA-N 1 2 284.359 1.204 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2ccccc2O1 ZINC001038820758 685474375 /nfs/dbraw/zinc/47/43/75/685474375.db2.gz MFOGNLHUDZKJFH-HOCLYGCPSA-N 1 2 284.359 1.204 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(=O)[nH]c(C3CC3)c2)C1 ZINC001030426570 685555404 /nfs/dbraw/zinc/55/54/04/685555404.db2.gz OAJBGZVOMUBQAO-UHFFFAOYSA-N 1 2 287.363 1.655 20 30 CDEDLO CCOCC[NH+]1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC000837407498 685571251 /nfs/dbraw/zinc/57/12/51/685571251.db2.gz FMHWHQGTIBUCQX-UHFFFAOYSA-N 1 2 266.385 1.217 20 30 CDEDLO C=C(C)[C@@H](CC(=O)OCC[N@@H+]1CCO[C@@H](C)C1)OCC ZINC000800189111 685872289 /nfs/dbraw/zinc/87/22/89/685872289.db2.gz FRNSYHMGPBETNO-UONOGXRCSA-N 1 2 285.384 1.622 20 30 CDEDLO C=C(C)[C@@H](CC(=O)OCC[N@H+]1CCO[C@@H](C)C1)OCC ZINC000800189111 685872290 /nfs/dbraw/zinc/87/22/90/685872290.db2.gz FRNSYHMGPBETNO-UONOGXRCSA-N 1 2 285.384 1.622 20 30 CDEDLO C#Cc1ccc(C[NH+]2CCC(S(C)(=O)=O)CC2)cc1 ZINC000809580466 685912410 /nfs/dbraw/zinc/91/24/10/685912410.db2.gz AHKKJYPSJFAXMA-UHFFFAOYSA-N 1 2 277.389 1.677 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccccn1 ZINC001050788634 684306101 /nfs/dbraw/zinc/30/61/01/684306101.db2.gz ABTMMFZXHAUOTJ-CQSZACIVSA-N 1 2 289.379 1.478 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccccn1 ZINC001050788634 684306108 /nfs/dbraw/zinc/30/61/08/684306108.db2.gz ABTMMFZXHAUOTJ-CQSZACIVSA-N 1 2 289.379 1.478 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C(C)(C)C1CC1)CCO2 ZINC001053388030 684325202 /nfs/dbraw/zinc/32/52/02/684325202.db2.gz PFXIBHBMKJMGMK-UHFFFAOYSA-N 1 2 292.423 1.912 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)CCC(=O)c2ccccn2)C1 ZINC000923565541 684331383 /nfs/dbraw/zinc/33/13/83/684331383.db2.gz IMIIVYIYUFIDQO-AWEZNQCLSA-N 1 2 299.374 1.258 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)CCC(=O)c2ccccn2)C1 ZINC000923565541 684331385 /nfs/dbraw/zinc/33/13/85/684331385.db2.gz IMIIVYIYUFIDQO-AWEZNQCLSA-N 1 2 299.374 1.258 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@H]2COC3(C[NH+](CCCF)C3)C2)C1 ZINC001053920002 684332366 /nfs/dbraw/zinc/33/23/66/684332366.db2.gz YCDKMOHFADEGIX-CYBMUJFWSA-N 1 2 296.386 1.662 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001006883873 684359293 /nfs/dbraw/zinc/35/92/93/684359293.db2.gz UJKVYAZHSXKLSF-NEPJUHHUSA-N 1 2 272.776 1.356 20 30 CDEDLO N#CCCN(CC=C(Cl)Cl)CC[NH+]1CCOCC1 ZINC000851798933 684393806 /nfs/dbraw/zinc/39/38/06/684393806.db2.gz UVEWPWSEPQGTKX-UHFFFAOYSA-N 1 2 292.210 1.853 20 30 CDEDLO C=CC(C)(C)CCCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000882513362 684448093 /nfs/dbraw/zinc/44/80/93/684448093.db2.gz JPMDPRHXKYZQTG-UHFFFAOYSA-N 1 2 285.413 1.795 20 30 CDEDLO COc1cccc(/C=N\[C@@H](C)C[NH+]2CCOCC2)c1O ZINC000255430427 684448773 /nfs/dbraw/zinc/44/87/73/684448773.db2.gz BFUGQFBGUBXVHL-KPENOIPVSA-N 1 2 278.352 1.540 20 30 CDEDLO C[C@@H]1[C@H]([NH2+]Cc2cnsn2)CCN1C(=O)C#CC1CC1 ZINC000986251891 684450970 /nfs/dbraw/zinc/45/09/70/684450970.db2.gz BMPZYDALIJHZNQ-ZWNOBZJWSA-N 1 2 290.392 1.031 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)C#CC(C)(C)C)[C@@H](C)CO1 ZINC000855406315 684475174 /nfs/dbraw/zinc/47/51/74/684475174.db2.gz CZCCTOHTORLMGI-STQMWFEESA-N 1 2 266.385 1.261 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)C#CC(C)(C)C)[C@@H](C)CO1 ZINC000855406315 684475184 /nfs/dbraw/zinc/47/51/84/684475184.db2.gz CZCCTOHTORLMGI-STQMWFEESA-N 1 2 266.385 1.261 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C1CC1)C[C@@H](C)O2 ZINC001071116291 684500982 /nfs/dbraw/zinc/50/09/82/684500982.db2.gz MDLJOLPNBGMWGW-IUODEOHRSA-N 1 2 298.814 1.841 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1CC1)C[C@@H](C)O2 ZINC001071116291 684500984 /nfs/dbraw/zinc/50/09/84/684500984.db2.gz MDLJOLPNBGMWGW-IUODEOHRSA-N 1 2 298.814 1.841 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccon2)C1 ZINC001032916360 684514165 /nfs/dbraw/zinc/51/41/65/684514165.db2.gz BJKVFLHINQSQAX-SNVBAGLBSA-N 1 2 269.732 1.573 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccon2)C1 ZINC001032916360 684514174 /nfs/dbraw/zinc/51/41/74/684514174.db2.gz BJKVFLHINQSQAX-SNVBAGLBSA-N 1 2 269.732 1.573 20 30 CDEDLO CC[C@H](F)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 ZINC001032396689 684523920 /nfs/dbraw/zinc/52/39/20/684523920.db2.gz COMCXBBUTPUCGL-IHRRRGAJSA-N 1 2 264.344 1.433 20 30 CDEDLO CC[C@H](F)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 ZINC001032396689 684523923 /nfs/dbraw/zinc/52/39/23/684523923.db2.gz COMCXBBUTPUCGL-IHRRRGAJSA-N 1 2 264.344 1.433 20 30 CDEDLO C[C@H](CO)N(C)N=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000842542835 684562986 /nfs/dbraw/zinc/56/29/86/684562986.db2.gz DOEOPXCMBASLCT-GFCCVEGCSA-N 1 2 258.325 1.519 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]2OC)C1 ZINC001031793304 684565506 /nfs/dbraw/zinc/56/55/06/684565506.db2.gz MUMJEPLLEZAOCC-CHWSQXEVSA-N 1 2 286.803 1.602 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)COC2 ZINC001032679762 684596651 /nfs/dbraw/zinc/59/66/51/684596651.db2.gz GNBJFFVYMYVFHT-IRXDYDNUSA-N 1 2 296.370 1.639 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)COC2 ZINC001032679762 684596654 /nfs/dbraw/zinc/59/66/54/684596654.db2.gz GNBJFFVYMYVFHT-IRXDYDNUSA-N 1 2 296.370 1.639 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCCC1(F)F ZINC001038551567 684694253 /nfs/dbraw/zinc/69/42/53/684694253.db2.gz AFSWAHUCXHSXQM-NWDGAFQWSA-N 1 2 270.323 1.636 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCCC1(F)F ZINC001038551567 684694256 /nfs/dbraw/zinc/69/42/56/684694256.db2.gz AFSWAHUCXHSXQM-NWDGAFQWSA-N 1 2 270.323 1.636 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)C(C)(C)CC)CC1 ZINC000811123930 684727291 /nfs/dbraw/zinc/72/72/91/684727291.db2.gz OIZSSFJGXBDZFZ-UHFFFAOYSA-N 1 2 279.380 1.880 20 30 CDEDLO C=CCCCCCn1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000883992486 684737589 /nfs/dbraw/zinc/73/75/89/684737589.db2.gz QTFOFYKFCVLCBY-UHFFFAOYSA-N 1 2 278.400 1.981 20 30 CDEDLO C=CC[N@H+](CN1C(=O)C[C@](C)(C(C)C)C1=O)[C@@H](C)COC ZINC000853535288 684746847 /nfs/dbraw/zinc/74/68/47/684746847.db2.gz SGLPEWXNXVDTFO-XJKSGUPXSA-N 1 2 296.411 1.888 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)C[C@](C)(C(C)C)C1=O)[C@@H](C)COC ZINC000853535288 684746862 /nfs/dbraw/zinc/74/68/62/684746862.db2.gz SGLPEWXNXVDTFO-XJKSGUPXSA-N 1 2 296.411 1.888 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3c(c2)CCO3)C1 ZINC001030996933 684786390 /nfs/dbraw/zinc/78/63/90/684786390.db2.gz RLBPDSVSSSVZHQ-UHFFFAOYSA-N 1 2 272.348 1.612 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C)on1)CO2 ZINC001053732559 684790817 /nfs/dbraw/zinc/79/08/17/684790817.db2.gz YIAMBDGYBHDUGB-LBPRGKRZSA-N 1 2 291.351 1.132 20 30 CDEDLO C=CC[N@H+](CN1C[C@H](C)[C@H](C)C1=O)[C@@H](C)COC ZINC000853535175 684797420 /nfs/dbraw/zinc/79/74/20/684797420.db2.gz QGYREWVILPYXTQ-AVGNSLFASA-N 1 2 254.374 1.581 20 30 CDEDLO C=CC[N@@H+](CN1C[C@H](C)[C@H](C)C1=O)[C@@H](C)COC ZINC000853535175 684797423 /nfs/dbraw/zinc/79/74/23/684797423.db2.gz QGYREWVILPYXTQ-AVGNSLFASA-N 1 2 254.374 1.581 20 30 CDEDLO C#C[C@H](NC(=O)Nc1ccn2cc[nH+]c2c1)[C@@H]1CCCO1 ZINC000810229223 684806877 /nfs/dbraw/zinc/80/68/77/684806877.db2.gz UUTHTNBQKLJNMI-STQMWFEESA-N 1 2 284.319 1.637 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1-c1ccoc1 ZINC001038545434 684807556 /nfs/dbraw/zinc/80/75/56/684807556.db2.gz DGDAEVKXWYIVRC-ZDUSSCGKSA-N 1 2 298.346 1.117 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C)nc1-c1ccoc1 ZINC001038545434 684807558 /nfs/dbraw/zinc/80/75/58/684807558.db2.gz DGDAEVKXWYIVRC-ZDUSSCGKSA-N 1 2 298.346 1.117 20 30 CDEDLO Cc1cc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)no1 ZINC001027336104 684809813 /nfs/dbraw/zinc/80/98/13/684809813.db2.gz NKUISYDCWSSDHA-SMDDNHRTSA-N 1 2 290.367 1.566 20 30 CDEDLO Cc1cc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)no1 ZINC001027336104 684809816 /nfs/dbraw/zinc/80/98/16/684809816.db2.gz NKUISYDCWSSDHA-SMDDNHRTSA-N 1 2 290.367 1.566 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(C(F)F)nc2)C1 ZINC001042874259 684850670 /nfs/dbraw/zinc/85/06/70/684850670.db2.gz JSWUGRRZCFEOLW-UHFFFAOYSA-N 1 2 293.317 1.799 20 30 CDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1ccn[nH]1 ZINC001031558529 684859420 /nfs/dbraw/zinc/85/94/20/684859420.db2.gz XIKWDVXYWZPKTF-UHFFFAOYSA-N 1 2 294.358 1.123 20 30 CDEDLO CC#CC[N@@H+]1C[C@H](NC(=O)c2snnc2C)CC[C@H]1C ZINC001071347209 684870885 /nfs/dbraw/zinc/87/08/85/684870885.db2.gz IJZYMFWQLZHTMI-ZYHUDNBSSA-N 1 2 292.408 1.453 20 30 CDEDLO CC#CC[N@H+]1C[C@H](NC(=O)c2snnc2C)CC[C@H]1C ZINC001071347209 684870886 /nfs/dbraw/zinc/87/08/86/684870886.db2.gz IJZYMFWQLZHTMI-ZYHUDNBSSA-N 1 2 292.408 1.453 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C(C)C)c1C ZINC001032724923 684875763 /nfs/dbraw/zinc/87/57/63/684875763.db2.gz HMJSJFSHZWRYFK-KBPBESRZSA-N 1 2 286.379 1.304 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C(C)C)c1C ZINC001032724923 684875765 /nfs/dbraw/zinc/87/57/65/684875765.db2.gz HMJSJFSHZWRYFK-KBPBESRZSA-N 1 2 286.379 1.304 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1coc(OC)n1 ZINC001028055633 684884030 /nfs/dbraw/zinc/88/40/30/684884030.db2.gz ZKFCJTAEKYVZMW-SNVBAGLBSA-N 1 2 299.758 1.630 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1coc(OC)n1 ZINC001028055633 684884032 /nfs/dbraw/zinc/88/40/32/684884032.db2.gz ZKFCJTAEKYVZMW-SNVBAGLBSA-N 1 2 299.758 1.630 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(F)(F)C(F)F ZINC000791402573 684892389 /nfs/dbraw/zinc/89/23/89/684892389.db2.gz CEMOBJCROYVSCQ-QMMMGPOBSA-N 1 2 266.238 1.101 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(F)(F)C(F)F ZINC000791402573 684892391 /nfs/dbraw/zinc/89/23/91/684892391.db2.gz CEMOBJCROYVSCQ-QMMMGPOBSA-N 1 2 266.238 1.101 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)nc1C ZINC001039046597 684893838 /nfs/dbraw/zinc/89/38/38/684893838.db2.gz ZLCXWVRERMNNCH-CYBMUJFWSA-N 1 2 257.337 1.136 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)nc1C ZINC001039046597 684893839 /nfs/dbraw/zinc/89/38/39/684893839.db2.gz ZLCXWVRERMNNCH-CYBMUJFWSA-N 1 2 257.337 1.136 20 30 CDEDLO C=CCC1(O)CC[NH+](CC(=O)N(C)CC(F)(F)F)CC1 ZINC000886766262 684894939 /nfs/dbraw/zinc/89/49/39/684894939.db2.gz GNFMMHMXJXPPJY-UHFFFAOYSA-N 1 2 294.317 1.410 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCC(C)(C)CC#N ZINC000922834910 684897420 /nfs/dbraw/zinc/89/74/20/684897420.db2.gz BUPGJFDNJVHZEE-ZDUSSCGKSA-N 1 2 296.415 1.336 20 30 CDEDLO N#CCOc1ccc(C[N@@H+]2CCc3ncncc3C2)cc1 ZINC000880595316 684899512 /nfs/dbraw/zinc/89/95/12/684899512.db2.gz OIXUGMGKCPJANW-UHFFFAOYSA-N 1 2 280.331 1.937 20 30 CDEDLO N#CCOc1ccc(C[N@H+]2CCc3ncncc3C2)cc1 ZINC000880595316 684899516 /nfs/dbraw/zinc/89/95/16/684899516.db2.gz OIXUGMGKCPJANW-UHFFFAOYSA-N 1 2 280.331 1.937 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000356065975 684948173 /nfs/dbraw/zinc/94/81/73/684948173.db2.gz USQPRNIPHSNPMU-WFASDCNBSA-N 1 2 277.368 1.453 20 30 CDEDLO C#CC1(O)C[NH+](CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000934448846 684949657 /nfs/dbraw/zinc/94/96/57/684949657.db2.gz AWUXXRHHKOLRHY-CYBMUJFWSA-N 1 2 294.395 1.313 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)[C@@H](C)CO2 ZINC001038621768 684958589 /nfs/dbraw/zinc/95/85/89/684958589.db2.gz QBKVTLRLLQMKFI-JSGCOSHPSA-N 1 2 284.359 1.620 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)[C@@H](C)CO2 ZINC001038621768 684958595 /nfs/dbraw/zinc/95/85/95/684958595.db2.gz QBKVTLRLLQMKFI-JSGCOSHPSA-N 1 2 284.359 1.620 20 30 CDEDLO N#CCCNC(=O)C[N@@H+](Cc1ccccn1)C1CC1 ZINC000780023263 684977765 /nfs/dbraw/zinc/97/77/65/684977765.db2.gz LUAUKYKJUTYZFN-UHFFFAOYSA-N 1 2 258.325 1.076 20 30 CDEDLO N#CCCNC(=O)C[N@H+](Cc1ccccn1)C1CC1 ZINC000780023263 684977759 /nfs/dbraw/zinc/97/77/59/684977759.db2.gz LUAUKYKJUTYZFN-UHFFFAOYSA-N 1 2 258.325 1.076 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1[nH]ccc1C ZINC001050904692 685004511 /nfs/dbraw/zinc/00/45/11/685004511.db2.gz KTAIKSISDLZPSO-ZDUSSCGKSA-N 1 2 277.368 1.330 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1[nH]ccc1C ZINC001050904692 685004514 /nfs/dbraw/zinc/00/45/14/685004514.db2.gz KTAIKSISDLZPSO-ZDUSSCGKSA-N 1 2 277.368 1.330 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cc1cccc(S(C)(=O)=O)c1 ZINC000852748834 685005417 /nfs/dbraw/zinc/00/54/17/685005417.db2.gz HYPJDCWAKHDCFV-UHFFFAOYSA-N 1 2 295.404 1.562 20 30 CDEDLO C#CCC[N@H+](CCOC)Cc1cccc(S(C)(=O)=O)c1 ZINC000852748834 685005419 /nfs/dbraw/zinc/00/54/19/685005419.db2.gz HYPJDCWAKHDCFV-UHFFFAOYSA-N 1 2 295.404 1.562 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCO[C@@H]1CC ZINC001017609978 685029581 /nfs/dbraw/zinc/02/95/81/685029581.db2.gz UGNSDZPBDOQZJA-XUWVNRHRSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCO[C@@H]1CC ZINC001017609978 685029584 /nfs/dbraw/zinc/02/95/84/685029584.db2.gz UGNSDZPBDOQZJA-XUWVNRHRSA-N 1 2 290.407 1.500 20 30 CDEDLO COC(=O)C1=C(C)O[C@@H](C[N@@H+]2CCC[C@@H](C#N)C2)C1 ZINC000932150325 685031086 /nfs/dbraw/zinc/03/10/86/685031086.db2.gz GGZNWOUDZQVEJG-NWDGAFQWSA-N 1 2 264.325 1.458 20 30 CDEDLO COC(=O)C1=C(C)O[C@@H](C[N@H+]2CCC[C@@H](C#N)C2)C1 ZINC000932150325 685031088 /nfs/dbraw/zinc/03/10/88/685031088.db2.gz GGZNWOUDZQVEJG-NWDGAFQWSA-N 1 2 264.325 1.458 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ncoc2-c2ccccc2)C1 ZINC001030400461 685036885 /nfs/dbraw/zinc/03/68/85/685036885.db2.gz YRHJARAAHGSRFA-UHFFFAOYSA-N 1 2 295.342 1.779 20 30 CDEDLO Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)no1 ZINC001075619890 685050689 /nfs/dbraw/zinc/05/06/89/685050689.db2.gz RWHJVOWSOXWMQU-SCDSUCTJSA-N 1 2 288.351 1.175 20 30 CDEDLO Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)no1 ZINC001075619890 685050694 /nfs/dbraw/zinc/05/06/94/685050694.db2.gz RWHJVOWSOXWMQU-SCDSUCTJSA-N 1 2 288.351 1.175 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2scnc2C)CC1 ZINC000188919980 685062299 /nfs/dbraw/zinc/06/22/99/685062299.db2.gz KMLPWLQPTPZUMN-SNAWJCMRSA-N 1 2 275.377 1.242 20 30 CDEDLO C#CCC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCCCC1 ZINC000886654467 685096680 /nfs/dbraw/zinc/09/66/80/685096680.db2.gz BUYPXQJWRTZQOV-ZDUSSCGKSA-N 1 2 264.369 1.159 20 30 CDEDLO C#CCC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC000886654467 685096687 /nfs/dbraw/zinc/09/66/87/685096687.db2.gz BUYPXQJWRTZQOV-ZDUSSCGKSA-N 1 2 264.369 1.159 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](C)n2cccc2)C1 ZINC001042621478 685167393 /nfs/dbraw/zinc/16/73/93/685167393.db2.gz DTYBSCREZSHZSP-CYBMUJFWSA-N 1 2 261.369 1.768 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnn1CCC ZINC001038298993 685182382 /nfs/dbraw/zinc/18/23/82/685182382.db2.gz BYBGIGDLWTZQTH-CYBMUJFWSA-N 1 2 274.368 1.121 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnn1CCC ZINC001038298993 685182413 /nfs/dbraw/zinc/18/24/13/685182413.db2.gz BYBGIGDLWTZQTH-CYBMUJFWSA-N 1 2 274.368 1.121 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C/C=C/Cl)c1 ZINC001032337049 685204142 /nfs/dbraw/zinc/20/41/42/685204142.db2.gz PTDDHOIWMCWKCY-NLMOASMRSA-N 1 2 290.754 1.538 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C/C=C/Cl)c1 ZINC001032337049 685204153 /nfs/dbraw/zinc/20/41/53/685204153.db2.gz PTDDHOIWMCWKCY-NLMOASMRSA-N 1 2 290.754 1.538 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2scnc2C(F)F)C1 ZINC001015230900 685219605 /nfs/dbraw/zinc/21/96/05/685219605.db2.gz ANIIEGCORAQAOG-SECBINFHSA-N 1 2 299.346 1.908 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2scnc2C(F)F)C1 ZINC001015230900 685219612 /nfs/dbraw/zinc/21/96/12/685219612.db2.gz ANIIEGCORAQAOG-SECBINFHSA-N 1 2 299.346 1.908 20 30 CDEDLO COCC#CC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC000776606882 685690844 /nfs/dbraw/zinc/69/08/44/685690844.db2.gz PDNRTVIYWLIQLE-UONOGXRCSA-N 1 2 296.411 1.966 20 30 CDEDLO COCC#CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC000776606882 685690858 /nfs/dbraw/zinc/69/08/58/685690858.db2.gz PDNRTVIYWLIQLE-UONOGXRCSA-N 1 2 296.411 1.966 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCOc3ccccc32)C1 ZINC001044056241 685772827 /nfs/dbraw/zinc/77/28/27/685772827.db2.gz PGWLMLHEEKKQNX-OAHLLOKOSA-N 1 2 286.375 1.881 20 30 CDEDLO O=C(C#Cc1ccccc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779213506 685789421 /nfs/dbraw/zinc/78/94/21/685789421.db2.gz KSOJTOZAKRPXET-AWEZNQCLSA-N 1 2 265.316 1.366 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2cnoc2)C1 ZINC001033356103 685791061 /nfs/dbraw/zinc/79/10/61/685791061.db2.gz KGSMBRXHKZVBQW-LBPRGKRZSA-N 1 2 283.759 1.502 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2cnoc2)C1 ZINC001033356103 685791070 /nfs/dbraw/zinc/79/10/70/685791070.db2.gz KGSMBRXHKZVBQW-LBPRGKRZSA-N 1 2 283.759 1.502 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@@H](C)C1 ZINC001018108389 685795169 /nfs/dbraw/zinc/79/51/69/685795169.db2.gz ADCOKJNOSSUIDY-LJISPDSOSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@@H](C)C1 ZINC001018108389 685795175 /nfs/dbraw/zinc/79/51/75/685795175.db2.gz ADCOKJNOSSUIDY-LJISPDSOSA-N 1 2 276.380 1.110 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)C)CO2 ZINC001053989465 685824220 /nfs/dbraw/zinc/82/42/20/685824220.db2.gz GUNUDIPQGXCJKV-GFCCVEGCSA-N 1 2 266.385 1.568 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000878818278 685827251 /nfs/dbraw/zinc/82/72/51/685827251.db2.gz OYCRZKAAPBTBMW-LBPRGKRZSA-N 1 2 274.368 1.261 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C)nn2C)C1 ZINC001042514877 685852031 /nfs/dbraw/zinc/85/20/31/685852031.db2.gz IHQKPRXOQDOILB-UHFFFAOYSA-N 1 2 262.357 1.061 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCOC2)C1 ZINC001033768130 685853271 /nfs/dbraw/zinc/85/32/71/685853271.db2.gz XQUIJFHQVAZLGZ-CHWSQXEVSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCOC2)C1 ZINC001033768130 685853273 /nfs/dbraw/zinc/85/32/73/685853273.db2.gz XQUIJFHQVAZLGZ-CHWSQXEVSA-N 1 2 286.803 1.698 20 30 CDEDLO C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH+]ccc1N(C)C ZINC001032736686 685864118 /nfs/dbraw/zinc/86/41/18/685864118.db2.gz YJSIWDHVWZJEHI-KBPBESRZSA-N 1 2 298.390 1.070 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001032410652 685905771 /nfs/dbraw/zinc/90/57/71/685905771.db2.gz NNMXCQRPQBRBJA-LUKYLMHMSA-N 1 2 295.386 1.494 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001032410652 685905775 /nfs/dbraw/zinc/90/57/75/685905775.db2.gz NNMXCQRPQBRBJA-LUKYLMHMSA-N 1 2 295.386 1.494 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2n[nH]c(C)c2C)C1 ZINC001042554023 685916633 /nfs/dbraw/zinc/91/66/33/685916633.db2.gz BSSPFHGJEXOENJ-UHFFFAOYSA-N 1 2 262.357 1.359 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001018050004 685921055 /nfs/dbraw/zinc/92/10/55/685921055.db2.gz QYANQUKEQWIQNJ-LJISPDSOSA-N 1 2 258.365 1.341 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001018050004 685921058 /nfs/dbraw/zinc/92/10/58/685921058.db2.gz QYANQUKEQWIQNJ-LJISPDSOSA-N 1 2 258.365 1.341 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2sc(CCC)nc2C)C1 ZINC001016241218 685922774 /nfs/dbraw/zinc/92/27/74/685922774.db2.gz YVOBEEROTPAXJN-GFCCVEGCSA-N 1 2 291.420 1.841 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2sc(CCC)nc2C)C1 ZINC001016241218 685922780 /nfs/dbraw/zinc/92/27/80/685922780.db2.gz YVOBEEROTPAXJN-GFCCVEGCSA-N 1 2 291.420 1.841 20 30 CDEDLO CC(C)C#CC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000826622016 685948283 /nfs/dbraw/zinc/94/82/83/685948283.db2.gz OYSJAVHPHDBNGH-UHFFFAOYSA-N 1 2 288.395 1.114 20 30 CDEDLO CC(C)C#CC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000826622016 685948284 /nfs/dbraw/zinc/94/82/84/685948284.db2.gz OYSJAVHPHDBNGH-UHFFFAOYSA-N 1 2 288.395 1.114 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001038539808 685951758 /nfs/dbraw/zinc/95/17/58/685951758.db2.gz DQYOYMGGIUWFCV-LXTVHRRPSA-N 1 2 260.381 1.636 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001038539808 685951763 /nfs/dbraw/zinc/95/17/63/685951763.db2.gz DQYOYMGGIUWFCV-LXTVHRRPSA-N 1 2 260.381 1.636 20 30 CDEDLO C#CCOCC[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000851822444 685960331 /nfs/dbraw/zinc/96/03/31/685960331.db2.gz PPWBXJCKQYPVAA-UHFFFAOYSA-N 1 2 293.411 1.296 20 30 CDEDLO C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)c2cn[nH]n2)CC1 ZINC001016704678 685964055 /nfs/dbraw/zinc/96/40/55/685964055.db2.gz OBTHOYLPIZFAMC-LLVKDONJSA-N 1 2 295.774 1.142 20 30 CDEDLO C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)c2cnn[nH]2)CC1 ZINC001016704678 685964057 /nfs/dbraw/zinc/96/40/57/685964057.db2.gz OBTHOYLPIZFAMC-LLVKDONJSA-N 1 2 295.774 1.142 20 30 CDEDLO N#CC[C@@H](O)C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000809574206 685972678 /nfs/dbraw/zinc/97/26/78/685972678.db2.gz GMBYSWKDVIHZFY-LLVKDONJSA-N 1 2 250.729 1.973 20 30 CDEDLO N#CC[C@@H](O)C[N@H+]1CCc2c(Cl)cccc2C1 ZINC000809574206 685972679 /nfs/dbraw/zinc/97/26/79/685972679.db2.gz GMBYSWKDVIHZFY-LLVKDONJSA-N 1 2 250.729 1.973 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2noc3ccccc23)C1 ZINC001043259363 685980038 /nfs/dbraw/zinc/98/00/38/685980038.db2.gz YLKIMZXCNSNOLV-UHFFFAOYSA-N 1 2 285.347 1.699 20 30 CDEDLO N#CCC(=O)N1CC[NH+](C[C@H]2CCC3(CCC3)CO2)CC1 ZINC000886229323 685981621 /nfs/dbraw/zinc/98/16/21/685981621.db2.gz NYCSXGKSOJFPND-CQSZACIVSA-N 1 2 291.395 1.394 20 30 CDEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](F)C(C)C)C2)CC1 ZINC001052067797 685994351 /nfs/dbraw/zinc/99/43/51/685994351.db2.gz OIYYKARRLYSNKM-HUUCEWRRSA-N 1 2 297.418 1.385 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1Cl ZINC001032746766 686002248 /nfs/dbraw/zinc/00/22/48/686002248.db2.gz FFPQGLSBBMLPHY-RYUDHWBXSA-N 1 2 274.751 1.872 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1Cl ZINC001032746766 686002256 /nfs/dbraw/zinc/00/22/56/686002256.db2.gz FFPQGLSBBMLPHY-RYUDHWBXSA-N 1 2 274.751 1.872 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCO[C@H](C(C)C)C2)C1 ZINC001031208009 686006422 /nfs/dbraw/zinc/00/64/22/686006422.db2.gz QSOMGVGCAHMZQN-HIFRSBDPSA-N 1 2 280.412 1.814 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]cc2ncnc1-2 ZINC001017573260 686009365 /nfs/dbraw/zinc/00/93/65/686009365.db2.gz RDXAUGSKAVZKIT-TXEJJXNPSA-N 1 2 297.362 1.433 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]cc2ncnc1-2 ZINC001017573260 686009375 /nfs/dbraw/zinc/00/93/75/686009375.db2.gz RDXAUGSKAVZKIT-TXEJJXNPSA-N 1 2 297.362 1.433 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc2nc[nH]c21 ZINC001017573260 686009383 /nfs/dbraw/zinc/00/93/83/686009383.db2.gz RDXAUGSKAVZKIT-TXEJJXNPSA-N 1 2 297.362 1.433 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc2nc[nH]c21 ZINC001017573260 686009393 /nfs/dbraw/zinc/00/93/93/686009393.db2.gz RDXAUGSKAVZKIT-TXEJJXNPSA-N 1 2 297.362 1.433 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cccnc1)CCO2 ZINC001053129234 686015956 /nfs/dbraw/zinc/01/59/56/686015956.db2.gz OFHFLNFKEISRRX-UHFFFAOYSA-N 1 2 287.363 1.185 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2CC[C@H](C)O2)C1 ZINC001030896368 686018195 /nfs/dbraw/zinc/01/81/95/686018195.db2.gz VANIXQLPTBCPQT-WCQYABFASA-N 1 2 252.358 1.321 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccnc3ccncc32)C1 ZINC001043478380 686019326 /nfs/dbraw/zinc/01/93/26/686019326.db2.gz OTYGFKRJTDPTFA-UHFFFAOYSA-N 1 2 294.358 1.409 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C)c1CC ZINC001017946242 686053331 /nfs/dbraw/zinc/05/33/31/686053331.db2.gz UMXPLWUEROYFMM-OKILXGFUSA-N 1 2 285.391 1.510 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C)c1CC ZINC001017946242 686053334 /nfs/dbraw/zinc/05/33/34/686053334.db2.gz UMXPLWUEROYFMM-OKILXGFUSA-N 1 2 285.391 1.510 20 30 CDEDLO Cc1noc([C@H](C)[N@H+](C)C[C@@H](O)CC2(C#N)CCC2)n1 ZINC000886270636 686056870 /nfs/dbraw/zinc/05/68/70/686056870.db2.gz IYWTXAWNXATZQK-JQWIXIFHSA-N 1 2 278.356 1.816 20 30 CDEDLO Cc1noc([C@H](C)[N@@H+](C)C[C@@H](O)CC2(C#N)CCC2)n1 ZINC000886270636 686056881 /nfs/dbraw/zinc/05/68/81/686056881.db2.gz IYWTXAWNXATZQK-JQWIXIFHSA-N 1 2 278.356 1.816 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncn2ccc(C)cc12 ZINC001038435527 686069913 /nfs/dbraw/zinc/06/99/13/686069913.db2.gz ABJVYFSGDJYEBP-AWEZNQCLSA-N 1 2 296.374 1.470 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ncn2ccc(C)cc12 ZINC001038435527 686069923 /nfs/dbraw/zinc/06/99/23/686069923.db2.gz ABJVYFSGDJYEBP-AWEZNQCLSA-N 1 2 296.374 1.470 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)cn2ccnc12 ZINC001038542834 686246681 /nfs/dbraw/zinc/24/66/81/686246681.db2.gz MLRKXSQXOZCLAU-ZDUSSCGKSA-N 1 2 282.347 1.080 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)cn2ccnc12 ZINC001038542834 686246698 /nfs/dbraw/zinc/24/66/98/686246698.db2.gz MLRKXSQXOZCLAU-ZDUSSCGKSA-N 1 2 282.347 1.080 20 30 CDEDLO N#Cc1ccccc1/C=C/C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779094852 686247532 /nfs/dbraw/zinc/24/75/32/686247532.db2.gz FVCUYYBWBZSGDD-NFAHFFEMSA-N 1 2 292.342 1.899 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001030942282 686300607 /nfs/dbraw/zinc/30/06/07/686300607.db2.gz KCPMLCIPQMUXFF-NSHDSACASA-N 1 2 262.378 1.675 20 30 CDEDLO NC(=[NH+]OC[C@H]1CCNC(=O)CC1)c1ccc(F)cc1 ZINC000842019720 686334770 /nfs/dbraw/zinc/33/47/70/686334770.db2.gz VEUOZVFZHXKBCB-SNVBAGLBSA-N 1 2 279.315 1.379 20 30 CDEDLO N#Cc1cccc(C[NH+]2CCN(c3cc(F)ncn3)CC2)c1 ZINC000852128500 686341296 /nfs/dbraw/zinc/34/12/96/686341296.db2.gz PVKVWKBPCIDWAV-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2nn(C)c3ccccc32)C1 ZINC001031280108 686355909 /nfs/dbraw/zinc/35/59/09/686355909.db2.gz ZMFYFJQOLTVYFG-UHFFFAOYSA-N 1 2 284.363 1.563 20 30 CDEDLO C#CC[NH+]1CCN(c2ccnc(-c3nccs3)n2)CC1 ZINC000865427024 686370240 /nfs/dbraw/zinc/37/02/40/686370240.db2.gz LCSFOWGDQZORHO-UHFFFAOYSA-N 1 2 285.376 1.355 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2ncnn2CC)CC1 ZINC000717425640 686407338 /nfs/dbraw/zinc/40/73/38/686407338.db2.gz XOUUAARFAZFHCS-UHFFFAOYSA-N 1 2 250.346 1.201 20 30 CDEDLO C[C@H](C#N)OCC[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000801911208 686412484 /nfs/dbraw/zinc/41/24/84/686412484.db2.gz VRDQHRHPLSEANT-GFCCVEGCSA-N 1 2 267.373 1.105 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(CC2CC2)n1 ZINC001032707632 686420561 /nfs/dbraw/zinc/42/05/61/686420561.db2.gz GPAJDJJZUGHOES-KBPBESRZSA-N 1 2 299.374 1.549 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(CC2CC2)n1 ZINC001032707632 686420577 /nfs/dbraw/zinc/42/05/77/686420577.db2.gz GPAJDJJZUGHOES-KBPBESRZSA-N 1 2 299.374 1.549 20 30 CDEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCNC(=O)C2(C)C)cc1 ZINC000093084474 686452339 /nfs/dbraw/zinc/45/23/39/686452339.db2.gz OOXCIFOCYBWVFE-LBPRGKRZSA-N 1 2 287.363 1.688 20 30 CDEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCNC(=O)C2(C)C)cc1 ZINC000093084474 686452350 /nfs/dbraw/zinc/45/23/50/686452350.db2.gz OOXCIFOCYBWVFE-LBPRGKRZSA-N 1 2 287.363 1.688 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2sc(Cl)nc2C)C1 ZINC001033123954 686466755 /nfs/dbraw/zinc/46/67/55/686466755.db2.gz UDQHCFJVEDMHLK-JTQLQIEISA-N 1 2 297.811 1.884 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2sc(Cl)nc2C)C1 ZINC001033123954 686466729 /nfs/dbraw/zinc/46/67/29/686466729.db2.gz UDQHCFJVEDMHLK-JTQLQIEISA-N 1 2 297.811 1.884 20 30 CDEDLO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2cn[nH]c21 ZINC001027885440 686496676 /nfs/dbraw/zinc/49/66/76/686496676.db2.gz FGGZEOSQTWKMAN-ZIAGYGMSSA-N 1 2 288.395 1.596 20 30 CDEDLO C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2cn[nH]c21 ZINC001027885440 686496695 /nfs/dbraw/zinc/49/66/95/686496695.db2.gz FGGZEOSQTWKMAN-ZIAGYGMSSA-N 1 2 288.395 1.596 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2scnc2Cl)C1 ZINC001033666423 686530342 /nfs/dbraw/zinc/53/03/42/686530342.db2.gz CFLQMJTUQLHCNT-SECBINFHSA-N 1 2 283.784 1.576 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2scnc2Cl)C1 ZINC001033666423 686530369 /nfs/dbraw/zinc/53/03/69/686530369.db2.gz CFLQMJTUQLHCNT-SECBINFHSA-N 1 2 283.784 1.576 20 30 CDEDLO C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cnon1 ZINC001054058030 686718577 /nfs/dbraw/zinc/71/85/77/686718577.db2.gz WCGLROILRTZTFG-AWEZNQCLSA-N 1 2 298.346 1.412 20 30 CDEDLO C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cnon1 ZINC001054058030 686718587 /nfs/dbraw/zinc/71/85/87/686718587.db2.gz WCGLROILRTZTFG-AWEZNQCLSA-N 1 2 298.346 1.412 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC000923566502 686745313 /nfs/dbraw/zinc/74/53/13/686745313.db2.gz LYCULMVZOLJSFR-CYBMUJFWSA-N 1 2 288.395 1.669 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC000923566502 686745331 /nfs/dbraw/zinc/74/53/31/686745331.db2.gz LYCULMVZOLJSFR-CYBMUJFWSA-N 1 2 288.395 1.669 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C(C)C ZINC001017822253 686781366 /nfs/dbraw/zinc/78/13/66/686781366.db2.gz VQGPBVZRISBUKQ-XQQFMLRXSA-N 1 2 254.349 1.842 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C(C)C ZINC001017822253 686781374 /nfs/dbraw/zinc/78/13/74/686781374.db2.gz VQGPBVZRISBUKQ-XQQFMLRXSA-N 1 2 254.349 1.842 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(F)C(F)(F)F ZINC001049480188 686806199 /nfs/dbraw/zinc/80/61/99/686806199.db2.gz DWUFIEKBAFBPRE-GMTAPVOTSA-N 1 2 292.276 1.585 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(F)C(F)(F)F ZINC001049480188 686806207 /nfs/dbraw/zinc/80/62/07/686806207.db2.gz DWUFIEKBAFBPRE-GMTAPVOTSA-N 1 2 292.276 1.585 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccnn2C)C1 ZINC001033048552 686824431 /nfs/dbraw/zinc/82/44/31/686824431.db2.gz UILKNIBLONRVQD-CYBMUJFWSA-N 1 2 296.802 1.248 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccnn2C)C1 ZINC001033048552 686824434 /nfs/dbraw/zinc/82/44/34/686824434.db2.gz UILKNIBLONRVQD-CYBMUJFWSA-N 1 2 296.802 1.248 20 30 CDEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(Cl)o2)C1 ZINC001047305549 686841519 /nfs/dbraw/zinc/84/15/19/686841519.db2.gz FSGMYOJOZLFHFV-QWRGUYRKSA-N 1 2 296.754 1.073 20 30 CDEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(Cl)o2)C1 ZINC001047305549 686841522 /nfs/dbraw/zinc/84/15/22/686841522.db2.gz FSGMYOJOZLFHFV-QWRGUYRKSA-N 1 2 296.754 1.073 20 30 CDEDLO C=CCN(CC(=O)OCC)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000816954954 686841922 /nfs/dbraw/zinc/84/19/22/686841922.db2.gz ORZSCUIGQDJRRK-LBPRGKRZSA-N 1 2 291.351 1.023 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)C[C@](C)(O)C(F)F)n1 ZINC000886176379 686845360 /nfs/dbraw/zinc/84/53/60/686845360.db2.gz AKMRYXRFPPWTBR-ZDUSSCGKSA-N 1 2 271.311 1.354 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)C[C@](C)(O)C(F)F)n1 ZINC000886176379 686845364 /nfs/dbraw/zinc/84/53/64/686845364.db2.gz AKMRYXRFPPWTBR-ZDUSSCGKSA-N 1 2 271.311 1.354 20 30 CDEDLO C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001027418559 686857313 /nfs/dbraw/zinc/85/73/13/686857313.db2.gz AIAGKHQIZXGZGT-UWVGGRQHSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CC[N@H+](C)[C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001027418559 686857316 /nfs/dbraw/zinc/85/73/16/686857316.db2.gz AIAGKHQIZXGZGT-UWVGGRQHSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CCO[C@H](C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000822757749 686873777 /nfs/dbraw/zinc/87/37/77/686873777.db2.gz JNPAKVISLCNGAZ-CYBMUJFWSA-N 1 2 272.348 1.157 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)cc(OC)c1C ZINC001038464481 686913880 /nfs/dbraw/zinc/91/38/80/686913880.db2.gz CXKCPJZIZBVDMA-AWEZNQCLSA-N 1 2 286.375 1.749 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)cc(OC)c1C ZINC001038464481 686913884 /nfs/dbraw/zinc/91/38/84/686913884.db2.gz CXKCPJZIZBVDMA-AWEZNQCLSA-N 1 2 286.375 1.749 20 30 CDEDLO N#Cc1ccccc1C[N@@H+](CC(N)=O)C1CCOCC1 ZINC000880393582 686936584 /nfs/dbraw/zinc/93/65/84/686936584.db2.gz KDQCNXWEQAUDCQ-UHFFFAOYSA-N 1 2 273.336 1.025 20 30 CDEDLO N#Cc1ccccc1C[N@H+](CC(N)=O)C1CCOCC1 ZINC000880393582 686936594 /nfs/dbraw/zinc/93/65/94/686936594.db2.gz KDQCNXWEQAUDCQ-UHFFFAOYSA-N 1 2 273.336 1.025 20 30 CDEDLO C#Cc1cncc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000807063354 686946423 /nfs/dbraw/zinc/94/64/23/686946423.db2.gz SAROEVYPJQSQMS-BBRMVZONSA-N 1 2 294.358 1.983 20 30 CDEDLO N#Cc1ccc(C(=O)NC2C[NH+](CC3CC(F)(F)C3)C2)[nH]1 ZINC001030224193 687015625 /nfs/dbraw/zinc/01/56/25/687015625.db2.gz IKKHFBZDZSKHNV-UHFFFAOYSA-N 1 2 294.305 1.346 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C)on1)CO2 ZINC001053732558 687046228 /nfs/dbraw/zinc/04/62/28/687046228.db2.gz YIAMBDGYBHDUGB-GFCCVEGCSA-N 1 2 291.351 1.132 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@H]2OC)C1 ZINC001043147533 687075854 /nfs/dbraw/zinc/07/58/54/687075854.db2.gz ORFJNNRGORWRDK-QWHCGFSZSA-N 1 2 252.358 1.130 20 30 CDEDLO C=CCC(F)(F)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000815607107 687086334 /nfs/dbraw/zinc/08/63/34/687086334.db2.gz PTYOQEAEHXVPQQ-UHFFFAOYSA-N 1 2 258.312 1.895 20 30 CDEDLO Cn1c[nH+]cc1CCOC(=O)Cc1cccc(C#N)c1 ZINC000837561803 687131976 /nfs/dbraw/zinc/13/19/76/687131976.db2.gz KRGPDSQFYFPWHW-UHFFFAOYSA-N 1 2 269.304 1.620 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc[nH]c2)C1 ZINC001046335390 687145980 /nfs/dbraw/zinc/14/59/80/687145980.db2.gz LBWXRCTVMRDVDH-CYBMUJFWSA-N 1 2 267.760 1.961 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc[nH]c2)C1 ZINC001046335390 687145982 /nfs/dbraw/zinc/14/59/82/687145982.db2.gz LBWXRCTVMRDVDH-CYBMUJFWSA-N 1 2 267.760 1.961 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OC)C1CCC1 ZINC001017771856 687148876 /nfs/dbraw/zinc/14/88/76/687148876.db2.gz NOTGWTQDTHKTIT-ZNMIVQPWSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OC)C1CCC1 ZINC001017771856 687148880 /nfs/dbraw/zinc/14/88/80/687148880.db2.gz NOTGWTQDTHKTIT-ZNMIVQPWSA-N 1 2 276.380 1.110 20 30 CDEDLO COc1cc(C#N)ccc1C(=O)NCCCCn1cc[nH+]c1 ZINC000932718113 687149876 /nfs/dbraw/zinc/14/98/76/687149876.db2.gz PFDGBWBYVXWRHG-UHFFFAOYSA-N 1 2 298.346 1.974 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@@H]2OCC)CC1 ZINC001000458958 687176798 /nfs/dbraw/zinc/17/67/98/687176798.db2.gz OOINMBJPLQEMEF-KGLIPLIRSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@@H]2OCC)CC1 ZINC001000458958 687176806 /nfs/dbraw/zinc/17/68/06/687176806.db2.gz OOINMBJPLQEMEF-KGLIPLIRSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCOc3ccccc32)C1 ZINC001031110311 687207308 /nfs/dbraw/zinc/20/73/08/687207308.db2.gz LQNRJOASKGNMAM-OAHLLOKOSA-N 1 2 286.375 1.929 20 30 CDEDLO N#CCCNC(=O)NCCCCNc1cccc[nH+]1 ZINC000426438310 687207821 /nfs/dbraw/zinc/20/78/21/687207821.db2.gz COQXXFKIQUOANO-UHFFFAOYSA-N 1 2 261.329 1.487 20 30 CDEDLO C#CC[C@H]1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000888578499 687303249 /nfs/dbraw/zinc/30/32/49/687303249.db2.gz RJRXDZRCXMRWTG-ZDUSSCGKSA-N 1 2 282.347 1.889 20 30 CDEDLO C#CCOCCO[NH+]=C(N)c1ccc(Br)cc1 ZINC000853685315 687311057 /nfs/dbraw/zinc/31/10/57/687311057.db2.gz TTZDFDRMASBFSD-UHFFFAOYSA-N 1 2 297.152 1.736 20 30 CDEDLO COC[C@H](C)NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000777903404 687316903 /nfs/dbraw/zinc/31/69/03/687316903.db2.gz ZSHOBJOMIOUFCN-LBPRGKRZSA-N 1 2 258.325 1.831 20 30 CDEDLO CC(C)(C)CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046002747 687336757 /nfs/dbraw/zinc/33/67/57/687336757.db2.gz NOOLRVOAJZARCY-AWEZNQCLSA-N 1 2 292.427 1.165 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)n1C ZINC001032277750 687362710 /nfs/dbraw/zinc/36/27/10/687362710.db2.gz SQMZSCUQYGCAFV-KBPBESRZSA-N 1 2 271.364 1.256 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)n1C ZINC001032277750 687362714 /nfs/dbraw/zinc/36/27/14/687362714.db2.gz SQMZSCUQYGCAFV-KBPBESRZSA-N 1 2 271.364 1.256 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001032981246 687363484 /nfs/dbraw/zinc/36/34/84/687363484.db2.gz NMQUADOGJLJLMC-LBPRGKRZSA-N 1 2 282.775 1.237 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001032981246 687363490 /nfs/dbraw/zinc/36/34/90/687363490.db2.gz NMQUADOGJLJLMC-LBPRGKRZSA-N 1 2 282.775 1.237 20 30 CDEDLO CCn1ncn(N=Cc2[nH+]c(C(C)C)n3ccccc23)c1=O ZINC000814235507 687379151 /nfs/dbraw/zinc/37/91/51/687379151.db2.gz NMQDDHONUFTDOZ-UHFFFAOYSA-N 1 2 298.350 1.718 20 30 CDEDLO C#CCOCCN1CC[NH+](Cc2ccccc2OC)CC1 ZINC000851749970 687429037 /nfs/dbraw/zinc/42/90/37/687429037.db2.gz SJYGBNKROBHASS-UHFFFAOYSA-N 1 2 288.391 1.463 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2cscn2)C1 ZINC001033477779 687434554 /nfs/dbraw/zinc/43/45/54/687434554.db2.gz QRPHUKORZZDBMX-LBPRGKRZSA-N 1 2 299.827 1.971 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2cscn2)C1 ZINC001033477779 687434560 /nfs/dbraw/zinc/43/45/60/687434560.db2.gz QRPHUKORZZDBMX-LBPRGKRZSA-N 1 2 299.827 1.971 20 30 CDEDLO C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001034277905 687464473 /nfs/dbraw/zinc/46/44/73/687464473.db2.gz UGNUJVWADQCYAT-CABCVRRESA-N 1 2 277.412 1.075 20 30 CDEDLO C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001034277905 687464482 /nfs/dbraw/zinc/46/44/82/687464482.db2.gz UGNUJVWADQCYAT-CABCVRRESA-N 1 2 277.412 1.075 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cn(C(C)C)cn2)C1 ZINC001035459477 687479999 /nfs/dbraw/zinc/47/99/99/687479999.db2.gz QJWVHOQNYMVXGQ-CYBMUJFWSA-N 1 2 292.383 1.081 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cn(C(C)C)cn2)C1 ZINC001035459477 687480010 /nfs/dbraw/zinc/48/00/10/687480010.db2.gz QJWVHOQNYMVXGQ-CYBMUJFWSA-N 1 2 292.383 1.081 20 30 CDEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)c2snnc2C)C1 ZINC001006700114 687503046 /nfs/dbraw/zinc/50/30/46/687503046.db2.gz XSTXIRSBUCHJGE-SNVBAGLBSA-N 1 2 266.370 1.227 20 30 CDEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2snnc2C)C1 ZINC001006700114 687503050 /nfs/dbraw/zinc/50/30/50/687503050.db2.gz XSTXIRSBUCHJGE-SNVBAGLBSA-N 1 2 266.370 1.227 20 30 CDEDLO C#CCOCCOC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810630943 687556949 /nfs/dbraw/zinc/55/69/49/687556949.db2.gz NWTFVPAOPMKSEV-UHFFFAOYSA-N 1 2 298.342 1.667 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1coc(=O)c2ccccc12 ZINC001038583774 687559850 /nfs/dbraw/zinc/55/98/50/687559850.db2.gz YIZIQBKSCCOKGW-LBPRGKRZSA-N 1 2 296.326 1.230 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(=O)c2ccccc12 ZINC001038583774 687559855 /nfs/dbraw/zinc/55/98/55/687559855.db2.gz YIZIQBKSCCOKGW-LBPRGKRZSA-N 1 2 296.326 1.230 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c1ccn2C ZINC001032685887 687564284 /nfs/dbraw/zinc/56/42/84/687564284.db2.gz CSCJMYKYRDAFRB-KBPBESRZSA-N 1 2 293.370 1.710 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c1ccn2C ZINC001032685887 687564303 /nfs/dbraw/zinc/56/43/03/687564303.db2.gz CSCJMYKYRDAFRB-KBPBESRZSA-N 1 2 293.370 1.710 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cn(CC(F)F)nc2C)C1 ZINC001030488727 687584129 /nfs/dbraw/zinc/58/41/29/687584129.db2.gz NAVAINLNLSNAOP-UHFFFAOYSA-N 1 2 298.337 1.447 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)C(C)(C)C2CCOCC2)C1 ZINC001043284209 687592989 /nfs/dbraw/zinc/59/29/89/687592989.db2.gz PXZDUYCEOGFADS-UHFFFAOYSA-N 1 2 292.423 1.605 20 30 CDEDLO C[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038606164 687616697 /nfs/dbraw/zinc/61/66/97/687616697.db2.gz MRLOLOKJRXJDMX-JTNHKYCSSA-N 1 2 289.404 1.966 20 30 CDEDLO C[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038606164 687616707 /nfs/dbraw/zinc/61/67/07/687616707.db2.gz MRLOLOKJRXJDMX-JTNHKYCSSA-N 1 2 289.404 1.966 20 30 CDEDLO CCOC(=O)C(C)(C)O[NH+]=Cc1cnc(N(C)C)s1 ZINC000835004888 687683374 /nfs/dbraw/zinc/68/33/74/687683374.db2.gz FPVWRRCEGRKHNI-UHFFFAOYSA-N 1 2 285.369 1.901 20 30 CDEDLO CC(=NN[C@@H]1CCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000788440725 687692660 /nfs/dbraw/zinc/69/26/60/687692660.db2.gz XFSXJRUCMQFBNC-CQSZACIVSA-N 1 2 270.336 1.975 20 30 CDEDLO C=C[C@H](C)ONC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000846544911 687795013 /nfs/dbraw/zinc/79/50/13/687795013.db2.gz LEWRLBLGACUMAZ-ZDUSSCGKSA-N 1 2 282.384 1.644 20 30 CDEDLO CC(C)S(=O)(=O)NN=C1CCCc2[nH+]c(N)ccc21 ZINC000834952906 687834576 /nfs/dbraw/zinc/83/45/76/687834576.db2.gz PDOIELDNFBYZCR-UHFFFAOYSA-N 1 2 282.369 1.032 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC23CCCC3)C1 ZINC001035563782 687836108 /nfs/dbraw/zinc/83/61/08/687836108.db2.gz LBJUZRDRVODMHX-CABCVRRESA-N 1 2 292.423 1.960 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC23CCCC3)C1 ZINC001035563782 687836113 /nfs/dbraw/zinc/83/61/13/687836113.db2.gz LBJUZRDRVODMHX-CABCVRRESA-N 1 2 292.423 1.960 20 30 CDEDLO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2cn[nH]c21 ZINC001038259355 687851872 /nfs/dbraw/zinc/85/18/72/687851872.db2.gz AEAQSYFUSMIUDN-KGLIPLIRSA-N 1 2 288.395 1.596 20 30 CDEDLO C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2cn[nH]c21 ZINC001038259355 687851873 /nfs/dbraw/zinc/85/18/73/687851873.db2.gz AEAQSYFUSMIUDN-KGLIPLIRSA-N 1 2 288.395 1.596 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cncnc2C)C1 ZINC001042498851 687870259 /nfs/dbraw/zinc/87/02/59/687870259.db2.gz PGEPLJSXDVCQSE-UHFFFAOYSA-N 1 2 260.341 1.117 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(F)(F)C1 ZINC001017464982 687882210 /nfs/dbraw/zinc/88/22/10/687882210.db2.gz DIXXFQRCLNKEFW-BETUJISGSA-N 1 2 282.334 1.730 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(F)(F)C1 ZINC001017464982 687882211 /nfs/dbraw/zinc/88/22/11/687882211.db2.gz DIXXFQRCLNKEFW-BETUJISGSA-N 1 2 282.334 1.730 20 30 CDEDLO C=CC[N@@H+]1Cc2ccc(CNC(=O)c3nnc[nH]3)cc2C1 ZINC001054285943 687890848 /nfs/dbraw/zinc/89/08/48/687890848.db2.gz IONYVLZLQMEEHT-UHFFFAOYSA-N 1 2 283.335 1.236 20 30 CDEDLO C=CC[N@H+]1Cc2ccc(CNC(=O)c3nnc[nH]3)cc2C1 ZINC001054285943 687890849 /nfs/dbraw/zinc/89/08/49/687890849.db2.gz IONYVLZLQMEEHT-UHFFFAOYSA-N 1 2 283.335 1.236 20 30 CDEDLO C=CC[N@@H+]1Cc2ccc(CNC(=O)c3ncn[nH]3)cc2C1 ZINC001054285943 687890850 /nfs/dbraw/zinc/89/08/50/687890850.db2.gz IONYVLZLQMEEHT-UHFFFAOYSA-N 1 2 283.335 1.236 20 30 CDEDLO C=CC[N@H+]1Cc2ccc(CNC(=O)c3ncn[nH]3)cc2C1 ZINC001054285943 687890851 /nfs/dbraw/zinc/89/08/51/687890851.db2.gz IONYVLZLQMEEHT-UHFFFAOYSA-N 1 2 283.335 1.236 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2Cc3ccncc3C2)C1 ZINC001030963456 687898186 /nfs/dbraw/zinc/89/81/86/687898186.db2.gz MAAZZOLQEBEHGG-CYBMUJFWSA-N 1 2 271.364 1.173 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)c2n[nH]nc2-c2ccccc2)C1 ZINC001016355072 687931736 /nfs/dbraw/zinc/93/17/36/687931736.db2.gz TYZCETUKQSCDQM-CYBMUJFWSA-N 1 2 297.362 1.462 20 30 CDEDLO C=CC[N@H+]1CC[C@@H](NC(=O)c2n[nH]nc2-c2ccccc2)C1 ZINC001016355072 687931745 /nfs/dbraw/zinc/93/17/45/687931745.db2.gz TYZCETUKQSCDQM-CYBMUJFWSA-N 1 2 297.362 1.462 20 30 CDEDLO C=C1CCC(C(=O)NC2C[NH+](CCn3cccn3)C2)CC1 ZINC001030903637 687964173 /nfs/dbraw/zinc/96/41/73/687964173.db2.gz PDUKRWSSJQMCJG-UHFFFAOYSA-N 1 2 288.395 1.430 20 30 CDEDLO C=C(C)COCCNC(=O)c1cccc2[nH+]ccn21 ZINC000777028304 687972897 /nfs/dbraw/zinc/97/28/97/687972897.db2.gz OUPIGRFZSGJUCL-UHFFFAOYSA-N 1 2 259.309 1.657 20 30 CDEDLO C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001031671430 687974621 /nfs/dbraw/zinc/97/46/21/687974621.db2.gz IERWZMIGVHMOMH-ZDUSSCGKSA-N 1 2 288.395 1.454 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C1CCCC1)O2 ZINC001053561346 687974911 /nfs/dbraw/zinc/97/49/11/687974911.db2.gz LUELNIRNASKSSH-CQSZACIVSA-N 1 2 278.396 1.712 20 30 CDEDLO CC[C@H](F)C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038174771 687999133 /nfs/dbraw/zinc/99/91/33/687999133.db2.gz VIXNHXXAAOMNQF-JQWIXIFHSA-N 1 2 278.331 1.439 20 30 CDEDLO CC[C@H](F)C[N@H+]1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038174771 687999144 /nfs/dbraw/zinc/99/91/44/687999144.db2.gz VIXNHXXAAOMNQF-JQWIXIFHSA-N 1 2 278.331 1.439 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844456018 688000830 /nfs/dbraw/zinc/00/08/30/688000830.db2.gz XKELFNFVNMBBSR-UMNHJUIQSA-N 1 2 271.311 1.238 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844456018 688000840 /nfs/dbraw/zinc/00/08/40/688000840.db2.gz XKELFNFVNMBBSR-UMNHJUIQSA-N 1 2 271.311 1.238 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000878818277 688007269 /nfs/dbraw/zinc/00/72/69/688007269.db2.gz OYCRZKAAPBTBMW-GFCCVEGCSA-N 1 2 274.368 1.261 20 30 CDEDLO C=CCN1CC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001044177592 688011314 /nfs/dbraw/zinc/01/13/14/688011314.db2.gz PMFREIIVPGZOFQ-UHFFFAOYSA-N 1 2 297.362 1.210 20 30 CDEDLO Cn1cc[nH+]c1NN=Cc1csc([N+](=O)[O-])c1 ZINC000790305158 688046349 /nfs/dbraw/zinc/04/63/49/688046349.db2.gz BDTWDRGIMCVMFI-UHFFFAOYSA-N 1 2 251.271 1.836 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCO[C@@H]2C)C1 ZINC001044091002 688051021 /nfs/dbraw/zinc/05/10/21/688051021.db2.gz HJTFWOMGRAVIFO-DGCLKSJQSA-N 1 2 252.358 1.130 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1snnc1C1CC1 ZINC001038372433 688106812 /nfs/dbraw/zinc/10/68/12/688106812.db2.gz WHRGLKWNKQNNNF-LLVKDONJSA-N 1 2 292.408 1.796 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1snnc1C1CC1 ZINC001038372433 688106818 /nfs/dbraw/zinc/10/68/18/688106818.db2.gz WHRGLKWNKQNNNF-LLVKDONJSA-N 1 2 292.408 1.796 20 30 CDEDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cc(C#N)cc(C#N)c1 ZINC001170343318 1162347688 /nfs/dbraw/zinc/34/76/88/1162347688.db2.gz QOCHXPGYSRFQQH-UHFFFAOYSA-N 1 2 267.292 1.131 20 30 CDEDLO Cc1cncc(C[NH+]2CCN(c3nccnc3C#N)CC2)c1 ZINC001207161338 1158767249 /nfs/dbraw/zinc/76/72/49/1158767249.db2.gz ZKFRGSMPWLNLAA-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO Cc1c[nH+]cc(C)c1NC(=O)c1ccc(C#N)n1C ZINC001625884025 1159423183 /nfs/dbraw/zinc/42/31/83/1159423183.db2.gz JHZPZXJBLHGANX-UHFFFAOYSA-N 1 2 254.293 1.583 20 30 CDEDLO C#CCN1CC2(C[NH+](Cc3cc(C)ccc3C)C2)OCC1=O ZINC001272637699 1161170321 /nfs/dbraw/zinc/17/03/21/1161170321.db2.gz CGQLBARMVDWHCI-UHFFFAOYSA-N 1 2 298.386 1.350 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)C2(C3CC3)CC2)CC1 ZINC001112992490 1162062464 /nfs/dbraw/zinc/06/24/64/1162062464.db2.gz BEPQZXRDCXJFTD-UHFFFAOYSA-N 1 2 278.396 1.523 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)C(C)(C)COC)CC1 ZINC001113104827 1162101365 /nfs/dbraw/zinc/10/13/65/1162101365.db2.gz WHWPXRZEDONCQC-UHFFFAOYSA-N 1 2 254.374 1.379 20 30 CDEDLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)Nc1ccc(C#N)cn1 ZINC001113154545 1162115933 /nfs/dbraw/zinc/11/59/33/1162115933.db2.gz FYTUDQGLPJKUJU-QWRGUYRKSA-N 1 2 298.350 1.224 20 30 CDEDLO C[C@@H](NC(=O)NCc1c[nH+]cn1C)c1cccc(C#N)c1 ZINC000811887616 1163555057 /nfs/dbraw/zinc/55/50/57/1163555057.db2.gz UEIQBVSXIFSGIB-LLVKDONJSA-N 1 2 283.335 1.852 20 30 CDEDLO C[C@@H](C#N)S(=O)(=O)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001193140336 1164387593 /nfs/dbraw/zinc/38/75/93/1164387593.db2.gz WEUVBIZCMDAGKM-AAEUAGOBSA-N 1 2 295.364 1.167 20 30 CDEDLO CCC[N@@H+]1CCCC[C@@H]1C(=O)[C@@H](C#N)c1ccncn1 ZINC001649174720 1166759983 /nfs/dbraw/zinc/75/99/83/1166759983.db2.gz OWPXZDHJLZYFAD-GXTWGEPZSA-N 1 2 272.352 1.917 20 30 CDEDLO CCC[N@H+]1CCCC[C@@H]1C(=O)[C@@H](C#N)c1ccncn1 ZINC001649174720 1166759992 /nfs/dbraw/zinc/75/99/92/1166759992.db2.gz OWPXZDHJLZYFAD-GXTWGEPZSA-N 1 2 272.352 1.917 20 30 CDEDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)c1cccc(C#N)c1 ZINC001155244725 1167108592 /nfs/dbraw/zinc/10/85/92/1167108592.db2.gz JZVLPDBGGGWIFH-SNVBAGLBSA-N 1 2 254.293 1.701 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(F)c1-c1nn[nH]n1 ZINC001588931094 1173115378 /nfs/dbraw/zinc/11/53/78/1173115378.db2.gz RDOCVZRQRCBJNL-VIFPVBQESA-N 1 2 274.303 1.597 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(F)c1-c1nn[nH]n1 ZINC001588931094 1173115379 /nfs/dbraw/zinc/11/53/79/1173115379.db2.gz RDOCVZRQRCBJNL-VIFPVBQESA-N 1 2 274.303 1.597 20 30 CDEDLO N#C[C@H]1CC[C@H]([NH2+]Cc2nc(-c3nn[nH]n3)cs2)C1 ZINC001592672427 1173963472 /nfs/dbraw/zinc/96/34/72/1173963472.db2.gz IDGDEAPKEOSILI-YUMQZZPRSA-N 1 2 275.341 1.105 20 30 CDEDLO N#CCC[N@@H+](Cc1cncc(-c2nn[nH]n2)c1)CC1CC1 ZINC001592676963 1173965260 /nfs/dbraw/zinc/96/52/60/1173965260.db2.gz MQLSSZIQIAZJDE-UHFFFAOYSA-N 1 2 283.339 1.387 20 30 CDEDLO N#CCC[N@H+](Cc1cncc(-c2nn[nH]n2)c1)CC1CC1 ZINC001592676963 1173965264 /nfs/dbraw/zinc/96/52/64/1173965264.db2.gz MQLSSZIQIAZJDE-UHFFFAOYSA-N 1 2 283.339 1.387 20 30 CDEDLO C=CCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1cnsn1 ZINC001723889408 1181619061 /nfs/dbraw/zinc/61/90/61/1181619061.db2.gz TZSQVTMPQOGJCC-GFCCVEGCSA-N 1 2 280.397 1.585 20 30 CDEDLO C=CCOCC[NH+]1CC(NC(=O)[C@H]2CC[C@H](F)C2)C1 ZINC001753384948 1184523741 /nfs/dbraw/zinc/52/37/41/1184523741.db2.gz DNBQNKKKSCOCMP-RYUDHWBXSA-N 1 2 270.348 1.128 20 30 CDEDLO CC[C@@H](CNC(=O)C#CC(C)C)[NH2+]Cc1nnc(C)o1 ZINC001753470999 1185225254 /nfs/dbraw/zinc/22/52/54/1185225254.db2.gz CZSYGGHPOUVIBH-LBPRGKRZSA-N 1 2 278.356 1.022 20 30 CDEDLO CC#CC[N@H+](C)CCCN(C)C(=O)C(F)C(F)(F)F ZINC001755038064 1185792921 /nfs/dbraw/zinc/79/29/21/1185792921.db2.gz LJRKZZXSNCEGHH-JTQLQIEISA-N 1 2 282.281 1.690 20 30 CDEDLO CC#CC[N@@H+](C)CCCN(C)C(=O)C(F)C(F)(F)F ZINC001755038064 1185792924 /nfs/dbraw/zinc/79/29/24/1185792924.db2.gz LJRKZZXSNCEGHH-JTQLQIEISA-N 1 2 282.281 1.690 20 30 CDEDLO CC#CC[N@H+](C)CCCN(C)C(=O)[C@H](F)C(F)(F)F ZINC001755038064 1185792929 /nfs/dbraw/zinc/79/29/29/1185792929.db2.gz LJRKZZXSNCEGHH-JTQLQIEISA-N 1 2 282.281 1.690 20 30 CDEDLO CC#CC[N@@H+](C)CCCN(C)C(=O)[C@H](F)C(F)(F)F ZINC001755038064 1185792935 /nfs/dbraw/zinc/79/29/35/1185792935.db2.gz LJRKZZXSNCEGHH-JTQLQIEISA-N 1 2 282.281 1.690 20 30 CDEDLO C=CC[NH+]1CCN(c2nc(Cl)ncc2C#N)CC1 ZINC001165033719 721865087 /nfs/dbraw/zinc/86/50/87/721865087.db2.gz WRGVNJGWLRQJSA-UHFFFAOYSA-N 1 2 263.732 1.310 20 30 CDEDLO COCCC[NH+]1CCN(Cc2cc(C#N)ccc2O)CC1 ZINC001232679573 912390941 /nfs/dbraw/zinc/39/09/41/912390941.db2.gz NVNQZWLBMGQARP-UHFFFAOYSA-N 1 2 289.379 1.418 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccnc(C)n2)[C@H]1C ZINC001089046364 912537630 /nfs/dbraw/zinc/53/76/30/912537630.db2.gz GCVCOCHFAGZLFF-PWSUYJOCSA-N 1 2 294.786 1.730 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccnc(C)n2)[C@H]1C ZINC001089046364 912537645 /nfs/dbraw/zinc/53/76/45/912537645.db2.gz GCVCOCHFAGZLFF-PWSUYJOCSA-N 1 2 294.786 1.730 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(C)c1)C2 ZINC001095160341 912542129 /nfs/dbraw/zinc/54/21/29/912542129.db2.gz LZPZVLRTCSSJOE-AGIUHOORSA-N 1 2 294.786 1.508 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(C)c1)C2 ZINC001095160341 912542138 /nfs/dbraw/zinc/54/21/38/912542138.db2.gz LZPZVLRTCSSJOE-AGIUHOORSA-N 1 2 294.786 1.508 20 30 CDEDLO N#CC1([NH2+][C@H]2CCC[C@H](n3ncnn3)C2)CCCC1 ZINC001173741604 912772283 /nfs/dbraw/zinc/77/22/83/912772283.db2.gz YFOOSLJOCVLTMK-RYUDHWBXSA-N 1 2 260.345 1.583 20 30 CDEDLO CCC(C#N)(CC)[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173750336 912787109 /nfs/dbraw/zinc/78/71/09/912787109.db2.gz NJXVFHIYTCPFQX-NWDGAFQWSA-N 1 2 262.361 1.829 20 30 CDEDLO N#Cc1ccc(Nc2cnn(CC[NH+]3CCOCC3)c2)cn1 ZINC001174489499 913164005 /nfs/dbraw/zinc/16/40/05/913164005.db2.gz FWBWBUVXVWPOLW-UHFFFAOYSA-N 1 2 298.350 1.226 20 30 CDEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(C)n[nH]2)C1=O ZINC001272543601 913405934 /nfs/dbraw/zinc/40/59/34/913405934.db2.gz KBWMZBSMLZPHLV-INIZCTEOSA-N 1 2 288.395 1.861 20 30 CDEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cc(C)n[nH]2)C1=O ZINC001272543601 913405944 /nfs/dbraw/zinc/40/59/44/913405944.db2.gz KBWMZBSMLZPHLV-INIZCTEOSA-N 1 2 288.395 1.861 20 30 CDEDLO C[N@@H+]1CCCn2nc(C(=O)NCC3(C#N)CCC3)cc2C1 ZINC001175094161 913460856 /nfs/dbraw/zinc/46/08/56/913460856.db2.gz FLJFPVQFPQPXIH-UHFFFAOYSA-N 1 2 287.367 1.142 20 30 CDEDLO C[N@H+]1CCCn2nc(C(=O)NCC3(C#N)CCC3)cc2C1 ZINC001175094161 913460866 /nfs/dbraw/zinc/46/08/66/913460866.db2.gz FLJFPVQFPQPXIH-UHFFFAOYSA-N 1 2 287.367 1.142 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001110184746 913534712 /nfs/dbraw/zinc/53/47/12/913534712.db2.gz VGXPZMZSMJZMST-RNJOBUHISA-N 1 2 270.348 1.269 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001110184746 913534722 /nfs/dbraw/zinc/53/47/22/913534722.db2.gz VGXPZMZSMJZMST-RNJOBUHISA-N 1 2 270.348 1.269 20 30 CDEDLO C[C@H](CC(=O)[C@H](C#N)c1nccn1C)n1cc[nH+]c1 ZINC001122517582 913791974 /nfs/dbraw/zinc/79/19/74/913791974.db2.gz FNIWLDNFFJZWNS-MNOVXSKESA-N 1 2 257.297 1.444 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N[C@H](C)CCNc1cc[nH+]c(C)n1 ZINC001106303949 913836197 /nfs/dbraw/zinc/83/61/97/913836197.db2.gz DOUVCUJYDKEONZ-IAQYHMDHSA-N 1 2 292.383 1.419 20 30 CDEDLO N#Cc1c[nH]c2ncnc(N3CCC(n4cc[nH+]c4)CC3)c12 ZINC001167126780 894660308 /nfs/dbraw/zinc/66/03/08/894660308.db2.gz OCOJMZYYUMTBJL-UHFFFAOYSA-N 1 2 293.334 1.868 20 30 CDEDLO Cc1[nH+]cc(Nc2c(C#N)cnc3ccnn32)cc1N ZINC001210287073 895190042 /nfs/dbraw/zinc/19/00/42/895190042.db2.gz KVACOCVWBHOOKQ-UHFFFAOYSA-N 1 2 265.280 1.630 20 30 CDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)cn1 ZINC001140540147 896692410 /nfs/dbraw/zinc/69/24/10/896692410.db2.gz LBAIJNNLZVLMAA-NEPJUHHUSA-N 1 2 265.263 1.419 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)cn1 ZINC001140540147 896692415 /nfs/dbraw/zinc/69/24/15/896692415.db2.gz LBAIJNNLZVLMAA-NEPJUHHUSA-N 1 2 265.263 1.419 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccn(C)c1 ZINC001267192876 897095697 /nfs/dbraw/zinc/09/56/97/897095697.db2.gz UXCWPBWOFXAFLO-UHFFFAOYSA-N 1 2 255.749 1.439 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccn(C)c1 ZINC001267192876 897095687 /nfs/dbraw/zinc/09/56/87/897095687.db2.gz UXCWPBWOFXAFLO-UHFFFAOYSA-N 1 2 255.749 1.439 20 30 CDEDLO C=C(C)C(=O)NCCCNc1ccc(CC(=O)OC)c[nH+]1 ZINC001167665764 897305298 /nfs/dbraw/zinc/30/52/98/897305298.db2.gz SRDRPXQEXQIHIJ-UHFFFAOYSA-N 1 2 291.351 1.291 20 30 CDEDLO Cc1nc(NC[C@@H](C)N(C)C(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001104523933 898350731 /nfs/dbraw/zinc/35/07/31/898350731.db2.gz GOBXLVBCLCMKBW-VHSXEESVSA-N 1 2 261.329 1.204 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)COCCC)C[C@@H]21 ZINC001176936296 914371314 /nfs/dbraw/zinc/37/13/14/914371314.db2.gz GTXBLKWPVXSCQP-LSDHHAIUSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)COCCC)C[C@@H]21 ZINC001176936296 914371332 /nfs/dbraw/zinc/37/13/32/914371332.db2.gz GTXBLKWPVXSCQP-LSDHHAIUSA-N 1 2 296.411 1.291 20 30 CDEDLO CN(CC(=O)Nc1cc(C#N)ccn1)c1cccc[nH+]1 ZINC001177408686 914662975 /nfs/dbraw/zinc/66/29/75/914662975.db2.gz LAWSTPYMIDJCFW-UHFFFAOYSA-N 1 2 267.292 1.423 20 30 CDEDLO CN(CC(=O)N(CCC#N)CCC#N)c1cccc[nH+]1 ZINC001177412186 914667945 /nfs/dbraw/zinc/66/79/45/914667945.db2.gz KQPUIKXAYGSEAT-UHFFFAOYSA-N 1 2 271.324 1.174 20 30 CDEDLO C=CC[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn[nH]c1 ZINC001268967666 903289237 /nfs/dbraw/zinc/28/92/37/903289237.db2.gz BIBUQFUBFHPGIX-AEGPPILISA-N 1 2 288.395 1.797 20 30 CDEDLO C=CC[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn[nH]c1 ZINC001268967666 903289250 /nfs/dbraw/zinc/28/92/50/903289250.db2.gz BIBUQFUBFHPGIX-AEGPPILISA-N 1 2 288.395 1.797 20 30 CDEDLO N#Cc1cc(CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccn1 ZINC001177668171 914843092 /nfs/dbraw/zinc/84/30/92/914843092.db2.gz KPWZNVHYLBTWCJ-UHFFFAOYSA-N 1 2 295.346 1.625 20 30 CDEDLO N#Cc1cc(CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccn1 ZINC001177668171 914843110 /nfs/dbraw/zinc/84/31/10/914843110.db2.gz KPWZNVHYLBTWCJ-UHFFFAOYSA-N 1 2 295.346 1.625 20 30 CDEDLO C=C(Cl)C(C)(C)C(=O)NCC[NH2+]Cc1cnon1 ZINC001128190692 921159389 /nfs/dbraw/zinc/15/93/89/921159389.db2.gz WLHYLMZCLZIGNO-UHFFFAOYSA-N 1 2 272.736 1.054 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[NH2+]Cc1csnn1 ZINC001128242793 921223769 /nfs/dbraw/zinc/22/37/69/921223769.db2.gz WSBLADIJMUNKKD-UHFFFAOYSA-N 1 2 268.386 1.346 20 30 CDEDLO CC(C)[N@@H+]1CCn2ncc(CNC(=O)C#CC3CC3)c2C1 ZINC001128351082 921278359 /nfs/dbraw/zinc/27/83/59/921278359.db2.gz SLRLHGHFGXCNQY-UHFFFAOYSA-N 1 2 286.379 1.137 20 30 CDEDLO CC(C)[N@H+]1CCn2ncc(CNC(=O)C#CC3CC3)c2C1 ZINC001128351082 921278360 /nfs/dbraw/zinc/27/83/60/921278360.db2.gz SLRLHGHFGXCNQY-UHFFFAOYSA-N 1 2 286.379 1.137 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc(OC)ncn1 ZINC001482599217 907836682 /nfs/dbraw/zinc/83/66/82/907836682.db2.gz PTXBEJPBFUNCPO-UHFFFAOYSA-N 1 2 298.774 1.242 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc(OC)ncn1 ZINC001482599217 907836701 /nfs/dbraw/zinc/83/67/01/907836701.db2.gz PTXBEJPBFUNCPO-UHFFFAOYSA-N 1 2 298.774 1.242 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2cccc(C#N)c2[N+](=O)[O-])C1 ZINC001229599952 908221903 /nfs/dbraw/zinc/22/19/03/908221903.db2.gz KRTHDYCAZBFGFI-LLVKDONJSA-N 1 2 277.280 1.176 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2cccc(C#N)c2[N+](=O)[O-])C1 ZINC001229599952 908221919 /nfs/dbraw/zinc/22/19/19/908221919.db2.gz KRTHDYCAZBFGFI-LLVKDONJSA-N 1 2 277.280 1.176 20 30 CDEDLO C=CCOCC(=O)N1CC[C@@H]([N@H+](C)Cc2nccs2)C1 ZINC001189370963 921443689 /nfs/dbraw/zinc/44/36/89/921443689.db2.gz MZISGSMRGUDGAO-GFCCVEGCSA-N 1 2 295.408 1.378 20 30 CDEDLO C=CCOCC(=O)N1CC[C@@H]([N@@H+](C)Cc2nccs2)C1 ZINC001189370963 921443697 /nfs/dbraw/zinc/44/36/97/921443697.db2.gz MZISGSMRGUDGAO-GFCCVEGCSA-N 1 2 295.408 1.378 20 30 CDEDLO Cc1nc(NC[C@@H]2CCC[C@H]2NC(=O)C#CC2CC2)cc[nH+]1 ZINC001105659420 909224111 /nfs/dbraw/zinc/22/41/11/909224111.db2.gz SHZBVFHWVNMBSJ-LSDHHAIUSA-N 1 2 298.390 1.895 20 30 CDEDLO CC(C)c1noc([C@@H](C)[NH2+]CCNC(=O)C#CC2CC2)n1 ZINC001126885464 909541434 /nfs/dbraw/zinc/54/14/34/909541434.db2.gz GUIGQIMUBYVLKK-LLVKDONJSA-N 1 2 290.367 1.373 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@H]1CCc2c(F)cccc2C1 ZINC001171420628 910068497 /nfs/dbraw/zinc/06/84/97/910068497.db2.gz CSNSUZYJUODLJO-QWHCGFSZSA-N 1 2 259.328 1.480 20 30 CDEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001094045538 910283273 /nfs/dbraw/zinc/28/32/73/910283273.db2.gz AOJOOYALHLUKRG-MNOVXSKESA-N 1 2 262.357 1.771 20 30 CDEDLO Cc1cc(NCCCNC(=O)C#CC2CC2)nc(C2CC2)[nH+]1 ZINC001094400452 910582362 /nfs/dbraw/zinc/58/23/62/910582362.db2.gz YJYIFPORWSJPDT-UHFFFAOYSA-N 1 2 298.390 1.994 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC001189910998 921713354 /nfs/dbraw/zinc/71/33/54/921713354.db2.gz WEFPARJTHCPNEN-OAHLLOKOSA-N 1 2 288.395 1.256 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C)n2)C1 ZINC001189910998 921713366 /nfs/dbraw/zinc/71/33/66/921713366.db2.gz WEFPARJTHCPNEN-OAHLLOKOSA-N 1 2 288.395 1.256 20 30 CDEDLO C=CC[C@H]([NH2+][C@H]1CCc2ncsc2C1)C(=O)OC ZINC001173130025 912187868 /nfs/dbraw/zinc/18/78/68/912187868.db2.gz VDGGBZKFDIXKHB-ONGXEEELSA-N 1 2 266.366 1.708 20 30 CDEDLO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1nc[nH]n1 ZINC001089711439 915510186 /nfs/dbraw/zinc/51/01/86/915510186.db2.gz UNYJQONFOIYPIC-NSHDSACASA-N 1 2 277.372 1.211 20 30 CDEDLO C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1nc[nH]n1 ZINC001089711439 915510198 /nfs/dbraw/zinc/51/01/98/915510198.db2.gz UNYJQONFOIYPIC-NSHDSACASA-N 1 2 277.372 1.211 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(OC)cs1)C2 ZINC001097632347 936318233 /nfs/dbraw/zinc/31/82/33/936318233.db2.gz RZGKMPRJJQJFFG-RTXFEEFZSA-N 1 2 290.388 1.725 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(OC)cs1)C2 ZINC001097632347 936318237 /nfs/dbraw/zinc/31/82/37/936318237.db2.gz RZGKMPRJJQJFFG-RTXFEEFZSA-N 1 2 290.388 1.725 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@@](C)(O)C(F)(F)F)CC1 ZINC001179808948 915990326 /nfs/dbraw/zinc/99/03/26/915990326.db2.gz WMHIYOPKQQKHFX-LLVKDONJSA-N 1 2 280.290 1.020 20 30 CDEDLO C[C@H](C#N)C(=O)Nc1ccnc(-c2cc(N)cc[nH+]2)c1 ZINC001179888342 916020842 /nfs/dbraw/zinc/02/08/42/916020842.db2.gz FYKKWEFPYRTRPT-SECBINFHSA-N 1 2 267.292 1.824 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1[nH]c(C)nc1C ZINC001485351642 916872334 /nfs/dbraw/zinc/87/23/34/916872334.db2.gz GUAJAFDEQUGIAH-VIFPVBQESA-N 1 2 284.791 1.829 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1[nH]c(C)nc1C ZINC001485351642 916872341 /nfs/dbraw/zinc/87/23/41/916872341.db2.gz GUAJAFDEQUGIAH-VIFPVBQESA-N 1 2 284.791 1.829 20 30 CDEDLO C=CCOc1ccc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)cc1 ZINC001204297088 917051860 /nfs/dbraw/zinc/05/18/60/917051860.db2.gz ACZPCPUXBJFCIH-UONOGXRCSA-N 1 2 251.301 1.766 20 30 CDEDLO C=CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)cc1 ZINC001204297088 917051888 /nfs/dbraw/zinc/05/18/88/917051888.db2.gz ACZPCPUXBJFCIH-UONOGXRCSA-N 1 2 251.301 1.766 20 30 CDEDLO C=CCO[C@@H](C)C(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001097920153 936426087 /nfs/dbraw/zinc/42/60/87/936426087.db2.gz SLLJHQUHRAVSKD-MNOVXSKESA-N 1 2 278.356 1.293 20 30 CDEDLO Cc1c(CN2CCOC[C@@H]2C#N)[nH+]c2ccccn12 ZINC001137274176 936438173 /nfs/dbraw/zinc/43/81/73/936438173.db2.gz JMJJNSHNUXXWPF-LBPRGKRZSA-N 1 2 256.309 1.367 20 30 CDEDLO Cc1cc(C)c(C[NH+]2CCN(c3nccnc3C#N)CC2)[nH]1 ZINC001137329893 936485329 /nfs/dbraw/zinc/48/53/29/936485329.db2.gz UOZCLQZPVGOJBF-UHFFFAOYSA-N 1 2 296.378 1.615 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccoc2C)C1 ZINC001107728145 918699819 /nfs/dbraw/zinc/69/98/19/918699819.db2.gz SVPPVSWRYSPVHI-OAHLLOKOSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccoc2C)C1 ZINC001107728145 918699827 /nfs/dbraw/zinc/69/98/27/918699827.db2.gz SVPPVSWRYSPVHI-OAHLLOKOSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(Cl)c[nH]2)C1 ZINC001107732346 918706357 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C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[C@@H]2CCOC2)C1 ZINC001107854564 918891679 /nfs/dbraw/zinc/89/16/79/918891679.db2.gz IIVDIIGIHJWQRO-ZBFHGGJFSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CC[C@@H]2CCOC2)C1 ZINC001107854564 918891696 /nfs/dbraw/zinc/89/16/96/918891696.db2.gz IIVDIIGIHJWQRO-ZBFHGGJFSA-N 1 2 296.411 1.196 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H](C)CNc2cc[nH+]c(C)n2)nc1 ZINC001107858358 918904274 /nfs/dbraw/zinc/90/42/74/918904274.db2.gz KPVLTRPYISZWJI-LLVKDONJSA-N 1 2 295.346 1.392 20 30 CDEDLO C=CCN(CCc1ccco1)C(=O)Cc1[nH]cc[nH+]1 ZINC000831846263 936542991 /nfs/dbraw/zinc/54/29/91/936542991.db2.gz XQTKTDKPBMGBBN-UHFFFAOYSA-N 1 2 259.309 1.803 20 30 CDEDLO C#CCCCC(=O)NC[C@@]1(C)C[N@H+](CC=C)CCO1 ZINC001107901696 919024111 /nfs/dbraw/zinc/02/41/11/919024111.db2.gz WEEFIPSEWUIYKN-HNNXBMFYSA-N 1 2 264.369 1.183 20 30 CDEDLO C#CCCCC(=O)NC[C@@]1(C)C[N@@H+](CC=C)CCO1 ZINC001107901696 919024117 /nfs/dbraw/zinc/02/41/17/919024117.db2.gz WEEFIPSEWUIYKN-HNNXBMFYSA-N 1 2 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/nfs/dbraw/zinc/49/49/36/926494936.db2.gz TUDSBYNEOYSVDJ-LBPRGKRZSA-N 1 2 275.352 1.578 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1coc(CCC)n1 ZINC001085924114 926514414 /nfs/dbraw/zinc/51/44/14/926514414.db2.gz NYZVLXYSHUHGIV-LBPRGKRZSA-N 1 2 275.352 1.407 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1coc(CCC)n1 ZINC001085924114 926514419 /nfs/dbraw/zinc/51/44/19/926514419.db2.gz NYZVLXYSHUHGIV-LBPRGKRZSA-N 1 2 275.352 1.407 20 30 CDEDLO N#Cc1ccc2c(C[NH+]3CC4(C3)CS(=O)C4)c[nH]c2c1 ZINC001142915696 937093089 /nfs/dbraw/zinc/09/30/89/937093089.db2.gz DOCIZEVSRXMTHC-UHFFFAOYSA-N 1 2 285.372 1.604 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)CC=C)C1 ZINC001108246582 926769985 /nfs/dbraw/zinc/76/99/85/926769985.db2.gz QJENUJKFXAUCOL-INIZCTEOSA-N 1 2 280.412 1.982 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)CC=C)C1 ZINC001108246582 926769998 /nfs/dbraw/zinc/76/99/98/926769998.db2.gz QJENUJKFXAUCOL-INIZCTEOSA-N 1 2 280.412 1.982 20 30 CDEDLO C[N@@H+]1CCOC[C@H]1CNc1cnc2[nH]cc(C#N)c2c1 ZINC001169655137 928293181 /nfs/dbraw/zinc/29/31/81/928293181.db2.gz DAJHGABKRDZOPR-GFCCVEGCSA-N 1 2 271.324 1.177 20 30 CDEDLO C[N@H+]1CCOC[C@H]1CNc1cnc2[nH]cc(C#N)c2c1 ZINC001169655137 928293200 /nfs/dbraw/zinc/29/32/00/928293200.db2.gz DAJHGABKRDZOPR-GFCCVEGCSA-N 1 2 271.324 1.177 20 30 CDEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H](C)CCC)CC2=O)C1 ZINC001108527335 928341618 /nfs/dbraw/zinc/34/16/18/928341618.db2.gz HMOMZAPJHAKAHY-OLZOCXBDSA-N 1 2 293.411 1.010 20 30 CDEDLO C=C[C@H](CC)CC(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001151970743 937323237 /nfs/dbraw/zinc/32/32/37/937323237.db2.gz RLXUKIHLOPAGFJ-OCCSQVGLSA-N 1 2 294.395 1.485 20 30 CDEDLO O=C(C#CC1CC1)N1CC[NH+](CCOCC2CCC2)CC1 ZINC001112825029 929466490 /nfs/dbraw/zinc/46/64/90/929466490.db2.gz QMPBMSLXZFBCRO-UHFFFAOYSA-N 1 2 290.407 1.361 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H]2CC[C@H](CC)O2)CC1 ZINC001112902307 929546585 /nfs/dbraw/zinc/54/65/85/929546585.db2.gz KPUDCSXWRZHOCJ-LSDHHAIUSA-N 1 2 296.411 1.291 20 30 CDEDLO C#CCC1(C(=O)N2CC[NH+](CCOCC)CC2)CCC1 ZINC001112951708 929600845 /nfs/dbraw/zinc/60/08/45/929600845.db2.gz WPLPRPFADBBINF-UHFFFAOYSA-N 1 2 278.396 1.361 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001134428152 929732598 /nfs/dbraw/zinc/73/25/98/929732598.db2.gz AXDLDVWYFBKLLL-JTQLQIEISA-N 1 2 280.372 1.747 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000884137075 930457768 /nfs/dbraw/zinc/45/77/68/930457768.db2.gz CTPKLVIUNJKKGX-ZDEQEGDKSA-N 1 2 282.384 1.374 20 30 CDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1nonc1C ZINC001273992991 930528621 /nfs/dbraw/zinc/52/86/21/930528621.db2.gz OJJOGLJJLFKLFL-ZIAGYGMSSA-N 1 2 290.367 1.519 20 30 CDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1nonc1C ZINC001273992991 930528624 /nfs/dbraw/zinc/52/86/24/930528624.db2.gz OJJOGLJJLFKLFL-ZIAGYGMSSA-N 1 2 290.367 1.519 20 30 CDEDLO N#CCC[N@H+]1CCCC[C@@]12CC(=O)N(CC(F)F)C2 ZINC001274032546 931134383 /nfs/dbraw/zinc/13/43/83/931134383.db2.gz RNUPSRSXCJHSLV-ZDUSSCGKSA-N 1 2 271.311 1.622 20 30 CDEDLO N#CCC[N@@H+]1CCCC[C@@]12CC(=O)N(CC(F)F)C2 ZINC001274032546 931134388 /nfs/dbraw/zinc/13/43/88/931134388.db2.gz RNUPSRSXCJHSLV-ZDUSSCGKSA-N 1 2 271.311 1.622 20 30 CDEDLO C=C(Cc1ccccc1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001144407796 931797796 /nfs/dbraw/zinc/79/77/96/931797796.db2.gz JGBITTZDFZUMHN-HNNXBMFYSA-N 1 2 274.364 1.232 20 30 CDEDLO C=C(Cc1ccccc1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001144407796 931797800 /nfs/dbraw/zinc/79/78/00/931797800.db2.gz JGBITTZDFZUMHN-HNNXBMFYSA-N 1 2 274.364 1.232 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2[C@H]3COC[C@@H]2C[C@@H](C(=O)OC)C3)cc1 ZINC001144576835 931909551 /nfs/dbraw/zinc/90/95/51/931909551.db2.gz RZWAZUZHJUTKBN-BJWYYQGGSA-N 1 2 299.370 1.820 20 30 CDEDLO C#Cc1ccc(C[N@H+]2[C@H]3COC[C@@H]2C[C@@H](C(=O)OC)C3)cc1 ZINC001144576835 931909555 /nfs/dbraw/zinc/90/95/55/931909555.db2.gz RZWAZUZHJUTKBN-BJWYYQGGSA-N 1 2 299.370 1.820 20 30 CDEDLO C=CC[NH+]1CCN([C@H]2CC[C@@H](C(=O)OCC)C2)CC1 ZINC001257064761 932739800 /nfs/dbraw/zinc/73/98/00/932739800.db2.gz XNDYKAAMKLRTAQ-KGLIPLIRSA-N 1 2 266.385 1.522 20 30 CDEDLO CCC[N@@H+]1CCc2c([nH]nc2C(=O)N2CC(CC#N)C2)C1 ZINC001278192451 945084477 /nfs/dbraw/zinc/08/44/77/945084477.db2.gz FPLRLCQBIOMLDK-UHFFFAOYSA-N 1 2 287.367 1.163 20 30 CDEDLO CCC[N@H+]1CCc2c([nH]nc2C(=O)N2CC(CC#N)C2)C1 ZINC001278192451 945084484 /nfs/dbraw/zinc/08/44/84/945084484.db2.gz FPLRLCQBIOMLDK-UHFFFAOYSA-N 1 2 287.367 1.163 20 30 CDEDLO C=C[C@@H](O)C[N@@H+]1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001253579532 935250953 /nfs/dbraw/zinc/25/09/53/935250953.db2.gz QVOZYXWURMWXFF-OCCSQVGLSA-N 1 2 281.377 1.082 20 30 CDEDLO C=C[C@@H](O)C[N@H+]1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001253579532 935250958 /nfs/dbraw/zinc/25/09/58/935250958.db2.gz QVOZYXWURMWXFF-OCCSQVGLSA-N 1 2 281.377 1.082 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001014381143 935535172 /nfs/dbraw/zinc/53/51/72/935535172.db2.gz ODGDUYJWCCFVHF-AWEZNQCLSA-N 1 2 295.346 1.286 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001014381143 935535175 /nfs/dbraw/zinc/53/51/75/935535175.db2.gz ODGDUYJWCCFVHF-AWEZNQCLSA-N 1 2 295.346 1.286 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001016229064 935607168 /nfs/dbraw/zinc/60/71/68/935607168.db2.gz LQJMJAHTSYGRMG-GFCCVEGCSA-N 1 2 285.351 1.338 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001016229064 935607170 /nfs/dbraw/zinc/60/71/70/935607170.db2.gz LQJMJAHTSYGRMG-GFCCVEGCSA-N 1 2 285.351 1.338 20 30 CDEDLO C[N@@H+]1CCC12CN(C(=O)c1c(F)cc(C#N)cc1F)C2 ZINC001276374600 935729811 /nfs/dbraw/zinc/72/98/11/935729811.db2.gz ZRWIABJFMOKQLP-UHFFFAOYSA-N 1 2 277.274 1.367 20 30 CDEDLO C[N@H+]1CCC12CN(C(=O)c1c(F)cc(C#N)cc1F)C2 ZINC001276374600 935729812 /nfs/dbraw/zinc/72/98/12/935729812.db2.gz ZRWIABJFMOKQLP-UHFFFAOYSA-N 1 2 277.274 1.367 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC2CCC1CC2 ZINC001039049544 935767425 /nfs/dbraw/zinc/76/74/25/935767425.db2.gz QKFBZOJVCWSXOY-CVSAEHQPSA-N 1 2 260.381 1.636 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC2CCC1CC2 ZINC001039049544 935767427 /nfs/dbraw/zinc/76/74/27/935767427.db2.gz QKFBZOJVCWSXOY-CVSAEHQPSA-N 1 2 260.381 1.636 20 30 CDEDLO N#CC[C@]1(O)CCN(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC001413567492 936194860 /nfs/dbraw/zinc/19/48/60/936194860.db2.gz KTYDTWSFASMCCB-AWEZNQCLSA-N 1 2 285.307 1.217 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1cc(Cl)ncc1F ZINC001156319846 938351556 /nfs/dbraw/zinc/35/15/56/938351556.db2.gz HGYIXZZGOWZKPR-ZETCQYMHSA-N 1 2 290.676 1.721 20 30 CDEDLO C=C(C)C(=O)NCCCNc1cc(COC)cc[nH+]1 ZINC001156820791 938421668 /nfs/dbraw/zinc/42/16/68/938421668.db2.gz CZKQUAPRBIBYAG-UHFFFAOYSA-N 1 2 263.341 1.722 20 30 CDEDLO N#CC1(NC(=O)c2ccc3[nH+]c(N)[nH]c3c2)CCC1 ZINC001156963584 938439155 /nfs/dbraw/zinc/43/91/55/938439155.db2.gz ACTSIOABDGPVHI-UHFFFAOYSA-N 1 2 255.281 1.321 20 30 CDEDLO COc1nc(NC2C[NH+](C(C)C)C2)c(F)cc1C#N ZINC001157530417 938505068 /nfs/dbraw/zinc/50/50/68/938505068.db2.gz XEPQBXUEAANYDF-UHFFFAOYSA-N 1 2 264.304 1.605 20 30 CDEDLO C[C@@H]1C[NH+](C2CN(c3cc(CC#N)ccn3)C2)C[C@@H](C)O1 ZINC001158716885 938655954 /nfs/dbraw/zinc/65/59/54/938655954.db2.gz MDANCICAHCDILB-CHWSQXEVSA-N 1 2 286.379 1.445 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cncc(OC(C)C)c2)CC1 ZINC001238472042 945194957 /nfs/dbraw/zinc/19/49/57/945194957.db2.gz SHQKHJSBRAAFNF-UHFFFAOYSA-N 1 2 273.380 1.620 20 30 CDEDLO Cc1nc(-n2cncn2)cc(NCCCS)[nH+]1 ZINC001159871788 938758036 /nfs/dbraw/zinc/75/80/36/938758036.db2.gz SKPNJZNZQZWHCF-UHFFFAOYSA-N 1 2 250.331 1.098 20 30 CDEDLO Cc1cc(N[C@@H]2C(=O)N(O)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC001160175986 938773403 /nfs/dbraw/zinc/77/34/03/938773403.db2.gz BDKISMVSSJYQHF-KWQFWETISA-N 1 2 264.329 1.556 20 30 CDEDLO Cc1ccnc(NC2CN(c3cccc[nH+]3)C2)c1C#N ZINC001161319051 938888298 /nfs/dbraw/zinc/88/82/98/938888298.db2.gz IKWPVACUSNQYJD-UHFFFAOYSA-N 1 2 265.320 1.957 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2cccc3[nH]cc(CC#N)c32)C[NH2+]1 ZINC001164312314 939451739 /nfs/dbraw/zinc/45/17/39/939451739.db2.gz NZLOPOIFJVHRJC-FZMZJTMJSA-N 1 2 298.346 1.549 20 30 CDEDLO Cc1nc2cc(F)ccc2c(N2CC[NH2+]C[C@@H]2C#N)n1 ZINC001164642433 939501385 /nfs/dbraw/zinc/50/13/85/939501385.db2.gz WFXWBTPSXRNNGS-NSHDSACASA-N 1 2 271.299 1.379 20 30 CDEDLO CC(C)c1noc(-c2ccnc(N3CC[NH2+]C[C@@H]3C#N)c2)n1 ZINC001164661280 939503059 /nfs/dbraw/zinc/50/30/59/939503059.db2.gz KUDCMFNAQABQFT-LBPRGKRZSA-N 1 2 298.350 1.557 20 30 CDEDLO CCOC(=O)[C@@H]1CN(c2ccc(CC#N)c(C)[nH+]2)CCO1 ZINC001166828470 939642210 /nfs/dbraw/zinc/64/22/10/939642210.db2.gz UEUJJFQOSUDTBZ-ZDUSSCGKSA-N 1 2 289.335 1.224 20 30 CDEDLO CC1(C#N)CC[NH+](Cc2cn(-c3cnccn3)cn2)CC1 ZINC001238822215 945262919 /nfs/dbraw/zinc/26/29/19/945262919.db2.gz ZSSWQLWJDZWAFW-UHFFFAOYSA-N 1 2 282.351 1.788 20 30 CDEDLO Cn1cc2c(n1)CC[N@@H+](Cc1cccc(C#N)c1)C2 ZINC001203762486 939702893 /nfs/dbraw/zinc/70/28/93/939702893.db2.gz JMTAQWBTSDBUJD-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO Cn1cc2c(n1)CC[N@H+](Cc1cccc(C#N)c1)C2 ZINC001203762486 939702896 /nfs/dbraw/zinc/70/28/96/939702896.db2.gz JMTAQWBTSDBUJD-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO C=CCOC(=O)N1CCN(Cc2[nH]c[nH+]c2C)CC1 ZINC001204593911 939780310 /nfs/dbraw/zinc/78/03/10/939780310.db2.gz IKFVMFHLRCRZGC-UHFFFAOYSA-N 1 2 264.329 1.158 20 30 CDEDLO COC(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001205459170 939890658 /nfs/dbraw/zinc/89/06/58/939890658.db2.gz FSUHNCKWCKSWPA-UHFFFAOYSA-N 1 2 291.326 1.971 20 30 CDEDLO COC(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001205459170 939890662 /nfs/dbraw/zinc/89/06/62/939890662.db2.gz FSUHNCKWCKSWPA-UHFFFAOYSA-N 1 2 291.326 1.971 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2ncccc2C)CC1 ZINC001205821539 939940995 /nfs/dbraw/zinc/94/09/95/939940995.db2.gz URWGFSWDAIJIFI-UHFFFAOYSA-N 1 2 273.336 1.669 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(Br)cn2)CC1 ZINC001206534381 940055654 /nfs/dbraw/zinc/05/56/54/940055654.db2.gz VWHNQARCYHQQPQ-UHFFFAOYSA-N 1 2 294.196 1.595 20 30 CDEDLO C#CCCCC(=O)N1CCC[C@H]([NH2+]Cc2csnn2)C1 ZINC001207944904 940267246 /nfs/dbraw/zinc/26/72/46/940267246.db2.gz VYLYFTRJJCTDDL-LBPRGKRZSA-N 1 2 292.408 1.422 20 30 CDEDLO COC(=O)[C@@H]1CC[N@@H+]1CCCc1ccc(C#N)cc1 ZINC001208856926 940397781 /nfs/dbraw/zinc/39/77/81/940397781.db2.gz UGNPWIBFVIJHCC-AWEZNQCLSA-N 1 2 258.321 1.738 20 30 CDEDLO COC(=O)[C@@H]1CC[N@H+]1CCCc1ccc(C#N)cc1 ZINC001208856926 940397782 /nfs/dbraw/zinc/39/77/82/940397782.db2.gz UGNPWIBFVIJHCC-AWEZNQCLSA-N 1 2 258.321 1.738 20 30 CDEDLO C=CCN(CC[N@@H+]1CCc2c(cnn2C)C1)C(=O)OCC ZINC001209020831 940425237 /nfs/dbraw/zinc/42/52/37/940425237.db2.gz OLJMHZIZHUOQCZ-UHFFFAOYSA-N 1 2 292.383 1.423 20 30 CDEDLO C=CCN(CC[N@H+]1CCc2c(cnn2C)C1)C(=O)OCC ZINC001209020831 940425238 /nfs/dbraw/zinc/42/52/38/940425238.db2.gz OLJMHZIZHUOQCZ-UHFFFAOYSA-N 1 2 292.383 1.423 20 30 CDEDLO O=C1C=C2C[N@@H+](CCCC3OCCO3)CC[C@@H]2S1 ZINC001209301143 940457581 /nfs/dbraw/zinc/45/75/81/940457581.db2.gz IFYHVELKVDVLTR-NSHDSACASA-N 1 2 269.366 1.414 20 30 CDEDLO O=C1C=C2C[N@H+](CCCC3OCCO3)CC[C@@H]2S1 ZINC001209301143 940457582 /nfs/dbraw/zinc/45/75/82/940457582.db2.gz IFYHVELKVDVLTR-NSHDSACASA-N 1 2 269.366 1.414 20 30 CDEDLO N#Cc1nn(-c2ccc(-c3[nH]cc[nH+]3)cc2)cc1N ZINC001213087222 940759337 /nfs/dbraw/zinc/75/93/37/940759337.db2.gz MEKAVIBDHFJBSA-UHFFFAOYSA-N 1 2 250.265 1.716 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(CC)CC)[C@H](OC)C1 ZINC001213886143 940787396 /nfs/dbraw/zinc/78/73/96/940787396.db2.gz WOMXHJHRUVVPAE-CHWSQXEVSA-N 1 2 266.385 1.261 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(CC)CC)[C@H](OC)C1 ZINC001213886143 940787398 /nfs/dbraw/zinc/78/73/98/940787398.db2.gz WOMXHJHRUVVPAE-CHWSQXEVSA-N 1 2 266.385 1.261 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCCC(C)C)[C@H]2C1 ZINC001218666323 941255983 /nfs/dbraw/zinc/25/59/83/941255983.db2.gz VPBKQPADNOEJRI-LSDHHAIUSA-N 1 2 278.396 1.358 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCCC(C)C)[C@H]2C1 ZINC001218666323 941255985 /nfs/dbraw/zinc/25/59/85/941255985.db2.gz VPBKQPADNOEJRI-LSDHHAIUSA-N 1 2 278.396 1.358 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2nccc(=O)[nH]2)C1 ZINC001226327464 941987165 /nfs/dbraw/zinc/98/71/65/941987165.db2.gz YBDFNPFFPBLFKY-CQSZACIVSA-N 1 2 296.330 1.707 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2nccc(=O)[nH]2)C1 ZINC001226327464 941987166 /nfs/dbraw/zinc/98/71/66/941987166.db2.gz YBDFNPFFPBLFKY-CQSZACIVSA-N 1 2 296.330 1.707 20 30 CDEDLO Cc1nc(C[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)cs1 ZINC001226649475 942041435 /nfs/dbraw/zinc/04/14/35/942041435.db2.gz UBZPSIYZQLWEEJ-JTQLQIEISA-N 1 2 292.408 1.692 20 30 CDEDLO COc1ccc(C#N)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001226791633 942071911 /nfs/dbraw/zinc/07/19/11/942071911.db2.gz PZIMCIAIPRWADT-NQPNPBMCSA-N 1 2 286.331 1.558 20 30 CDEDLO COc1ccc(C#N)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001226791633 942071918 /nfs/dbraw/zinc/07/19/18/942071918.db2.gz PZIMCIAIPRWADT-NQPNPBMCSA-N 1 2 286.331 1.558 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc([N+](=O)[O-])cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227523620 942183334 /nfs/dbraw/zinc/18/33/34/942183334.db2.gz OQIUIVOBAMVCCN-KLLCGCCRSA-N 1 2 276.292 1.586 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc([N+](=O)[O-])cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227523620 942183337 /nfs/dbraw/zinc/18/33/37/942183337.db2.gz OQIUIVOBAMVCCN-KLLCGCCRSA-N 1 2 276.292 1.586 20 30 CDEDLO C=C(C)CCC(=O)NC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001227596720 942193131 /nfs/dbraw/zinc/19/31/31/942193131.db2.gz JSXWFXBBTIAYKQ-UHFFFAOYSA-N 1 2 291.399 1.252 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2cc(F)c(C#N)c(F)c2)C1 ZINC001228223617 942282852 /nfs/dbraw/zinc/28/28/52/942282852.db2.gz MBKIWQBFMFPBPN-JTQLQIEISA-N 1 2 268.263 1.546 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2cc(F)c(C#N)c(F)c2)C1 ZINC001228223617 942282855 /nfs/dbraw/zinc/28/28/55/942282855.db2.gz MBKIWQBFMFPBPN-JTQLQIEISA-N 1 2 268.263 1.546 20 30 CDEDLO COc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)ccc1F ZINC001228981788 942403192 /nfs/dbraw/zinc/40/31/92/942403192.db2.gz FYPPCIOYYLCKQI-HJTUNCCVSA-N 1 2 279.311 1.826 20 30 CDEDLO COc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)ccc1F ZINC001228981788 942403194 /nfs/dbraw/zinc/40/31/94/942403194.db2.gz FYPPCIOYYLCKQI-HJTUNCCVSA-N 1 2 279.311 1.826 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCC1 ZINC001230571935 942647037 /nfs/dbraw/zinc/64/70/37/942647037.db2.gz GSZJFPOWAYNUPV-OCCSQVGLSA-N 1 2 293.411 1.010 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1CCC1 ZINC001230571935 942647040 /nfs/dbraw/zinc/64/70/40/942647040.db2.gz GSZJFPOWAYNUPV-OCCSQVGLSA-N 1 2 293.411 1.010 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C1CCCC1 ZINC001230573592 942647229 /nfs/dbraw/zinc/64/72/29/942647229.db2.gz ZVKOTQHFLZZSKL-AWEZNQCLSA-N 1 2 293.411 1.012 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCCC1 ZINC001230573592 942647230 /nfs/dbraw/zinc/64/72/30/942647230.db2.gz ZVKOTQHFLZZSKL-AWEZNQCLSA-N 1 2 293.411 1.012 20 30 CDEDLO CC[C@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001230810110 942704649 /nfs/dbraw/zinc/70/46/49/942704649.db2.gz JKOWZMYHGJDZOI-UONOGXRCSA-N 1 2 266.385 1.215 20 30 CDEDLO CC[C@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001230810110 942704655 /nfs/dbraw/zinc/70/46/55/942704655.db2.gz JKOWZMYHGJDZOI-UONOGXRCSA-N 1 2 266.385 1.215 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C(CC)CC ZINC001230829521 942708870 /nfs/dbraw/zinc/70/88/70/942708870.db2.gz OQTTWAULPXAMAP-AWEZNQCLSA-N 1 2 295.427 1.258 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C(CC)CC ZINC001230829521 942708876 /nfs/dbraw/zinc/70/88/76/942708876.db2.gz OQTTWAULPXAMAP-AWEZNQCLSA-N 1 2 295.427 1.258 20 30 CDEDLO N#Cc1ccc(N2CC3(CC[N@@H+]3Cc3ccc[nH]3)C2)nc1 ZINC001277687827 943336424 /nfs/dbraw/zinc/33/64/24/943336424.db2.gz YYFQIFADZTWANG-UHFFFAOYSA-N 1 2 279.347 1.746 20 30 CDEDLO N#Cc1ccc(N2CC3(CC[N@H+]3Cc3ccc[nH]3)C2)nc1 ZINC001277687827 943336430 /nfs/dbraw/zinc/33/64/30/943336430.db2.gz YYFQIFADZTWANG-UHFFFAOYSA-N 1 2 279.347 1.746 20 30 CDEDLO CCOC(=O)[C@H]1C[N@H+](Cc2cccc(C#N)n2)CCS1 ZINC001232926570 943436411 /nfs/dbraw/zinc/43/64/11/943436411.db2.gz UDVDAKQYRVXEOE-CYBMUJFWSA-N 1 2 291.376 1.434 20 30 CDEDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cccc(C#N)n2)CCS1 ZINC001232926570 943436413 /nfs/dbraw/zinc/43/64/13/943436413.db2.gz UDVDAKQYRVXEOE-CYBMUJFWSA-N 1 2 291.376 1.434 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC)SC ZINC001233691423 943641176 /nfs/dbraw/zinc/64/11/76/943641176.db2.gz AWCODRLQSXHEAN-NEPJUHHUSA-N 1 2 254.399 1.294 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC)SC ZINC001233691423 943641178 /nfs/dbraw/zinc/64/11/78/943641178.db2.gz AWCODRLQSXHEAN-NEPJUHHUSA-N 1 2 254.399 1.294 20 30 CDEDLO CCn1ccnc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2CCC#N ZINC001277939565 944134783 /nfs/dbraw/zinc/13/47/83/944134783.db2.gz XKAKBLOTTIHMGU-OKILXGFUSA-N 1 2 273.384 1.465 20 30 CDEDLO CCn1ccnc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CCC#N ZINC001277939565 944134784 /nfs/dbraw/zinc/13/47/84/944134784.db2.gz XKAKBLOTTIHMGU-OKILXGFUSA-N 1 2 273.384 1.465 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)[C@@H](C)c1nnc(C)[nH]1 ZINC001235451957 944160454 /nfs/dbraw/zinc/16/04/54/944160454.db2.gz RPSLVDOYHMBVBD-NSHDSACASA-N 1 2 279.388 1.578 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)[C@@H](C)c1nnc(C)[nH]1 ZINC001235451957 944160458 /nfs/dbraw/zinc/16/04/58/944160458.db2.gz RPSLVDOYHMBVBD-NSHDSACASA-N 1 2 279.388 1.578 20 30 CDEDLO C=CCN(C(=O)C(=O)NCc1c[nH+]c(C)cc1C)C(C)C ZINC001261411633 946103148 /nfs/dbraw/zinc/10/31/48/946103148.db2.gz GPFHWMHLXQYWQA-UHFFFAOYSA-N 1 2 289.379 1.738 20 30 CDEDLO N#C[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254603991 947552681 /nfs/dbraw/zinc/55/26/81/947552681.db2.gz ROBYIGHBGGZDPQ-HZMBPMFUSA-N 1 2 257.293 1.907 20 30 CDEDLO N#C[C@@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254603991 947552694 /nfs/dbraw/zinc/55/26/94/947552694.db2.gz ROBYIGHBGGZDPQ-HZMBPMFUSA-N 1 2 257.293 1.907 20 30 CDEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CCOCC1 ZINC001255039224 947708826 /nfs/dbraw/zinc/70/88/26/947708826.db2.gz ZNFVQDWHJPSWMX-OAHLLOKOSA-N 1 2 288.347 1.411 20 30 CDEDLO CC[C@@H](CC#N)[NH2+][C@@H](CCC(=O)OC(C)(C)C)C(N)=O ZINC001255157877 947757241 /nfs/dbraw/zinc/75/72/41/947757241.db2.gz YBHUHQYCDIXEBZ-QWRGUYRKSA-N 1 2 283.372 1.244 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1ccnc(N2CCCNC2=O)c1 ZINC001255160665 947757318 /nfs/dbraw/zinc/75/73/18/947757318.db2.gz NDSUCSSHJTYBDZ-ZDUSSCGKSA-N 1 2 287.367 1.783 20 30 CDEDLO C[NH+](C)CCn1[nH]c(-c2ccc(C#N)cc2)cc1=O ZINC001245934050 947855162 /nfs/dbraw/zinc/85/51/62/947855162.db2.gz YLXIGQQFGCICSS-UHFFFAOYSA-N 1 2 256.309 1.689 20 30 CDEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1[C@H](C)COC ZINC001255568329 947992647 /nfs/dbraw/zinc/99/26/47/947992647.db2.gz BAWFQBLIOBKPTC-OCCSQVGLSA-N 1 2 294.399 1.435 20 30 CDEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1[C@H](C)COC ZINC001255568329 947992651 /nfs/dbraw/zinc/99/26/51/947992651.db2.gz BAWFQBLIOBKPTC-OCCSQVGLSA-N 1 2 294.399 1.435 20 30 CDEDLO C=CC[C@H]([NH2+]C1CCN(C(=O)OC)CC1)C(=O)OCC ZINC001255854896 948113981 /nfs/dbraw/zinc/11/39/81/948113981.db2.gz WUJLWLJYWIEKBU-LBPRGKRZSA-N 1 2 284.356 1.315 20 30 CDEDLO C=CCCCNC(=S)NCCc1[nH+]ccn1C ZINC001247802583 948788246 /nfs/dbraw/zinc/78/82/46/948788246.db2.gz PJLSUOWEPBVJEI-UHFFFAOYSA-N 1 2 252.387 1.393 20 30 CDEDLO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1cnn2ccc(C#N)cc12 ZINC001249124466 949405280 /nfs/dbraw/zinc/40/52/80/949405280.db2.gz CVTAOESESRUYKJ-AWEZNQCLSA-N 1 2 297.362 1.306 20 30 CDEDLO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1cnn2ccc(C#N)cc12 ZINC001249124466 949405290 /nfs/dbraw/zinc/40/52/90/949405290.db2.gz CVTAOESESRUYKJ-AWEZNQCLSA-N 1 2 297.362 1.306 20 30 CDEDLO C#Cc1cc(Nc2cc(C)c(OC)nc2OC)cc[nH+]1 ZINC001250179545 950020255 /nfs/dbraw/zinc/02/02/55/950020255.db2.gz HPWIKVGGZDJHBF-UHFFFAOYSA-N 1 2 269.304 1.949 20 30 CDEDLO N#C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(F)cc2F)C1 ZINC001250856277 950432490 /nfs/dbraw/zinc/43/24/90/950432490.db2.gz FUGJZZICRJTPDE-PWSUYJOCSA-N 1 2 282.290 1.550 20 30 CDEDLO N#C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(F)cc2F)C1 ZINC001250856277 950432500 /nfs/dbraw/zinc/43/25/00/950432500.db2.gz FUGJZZICRJTPDE-PWSUYJOCSA-N 1 2 282.290 1.550 20 30 CDEDLO C=CCOC[C@@H](O)C[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001252471850 951323804 /nfs/dbraw/zinc/32/38/04/951323804.db2.gz JJHXCPZVIRPHEI-AWEZNQCLSA-N 1 2 288.347 1.185 20 30 CDEDLO C=CCOC[C@H](O)C[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001252471851 951324536 /nfs/dbraw/zinc/32/45/36/951324536.db2.gz JJHXCPZVIRPHEI-CQSZACIVSA-N 1 2 288.347 1.185 20 30 CDEDLO C[N@H+](CCNC(=O)c1cocn1)Cc1ccccc1C#N ZINC001492214972 955715616 /nfs/dbraw/zinc/71/56/16/955715616.db2.gz HXEOVXVSNFGPJZ-UHFFFAOYSA-N 1 2 284.319 1.408 20 30 CDEDLO C[N@@H+](CCNC(=O)c1cocn1)Cc1ccccc1C#N ZINC001492214972 955715625 /nfs/dbraw/zinc/71/56/25/955715625.db2.gz HXEOVXVSNFGPJZ-UHFFFAOYSA-N 1 2 284.319 1.408 20 30 CDEDLO COc1ccc(NC(=O)NCc2c[nH+]cn2C)cc1C#N ZINC001365246790 955774997 /nfs/dbraw/zinc/77/49/97/955774997.db2.gz XBGZEPJIWWKQRC-UHFFFAOYSA-N 1 2 285.307 1.622 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001422203954 955840087 /nfs/dbraw/zinc/84/00/87/955840087.db2.gz IKGMLJGKFTWFKM-UPJWGTAASA-N 1 2 286.803 1.697 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001422203954 955840099 /nfs/dbraw/zinc/84/00/99/955840099.db2.gz IKGMLJGKFTWFKM-UPJWGTAASA-N 1 2 286.803 1.697 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCn1cccn1 ZINC001422490690 956080797 /nfs/dbraw/zinc/08/07/97/956080797.db2.gz QKRYHLLFZANQFS-GFCCVEGCSA-N 1 2 284.791 1.462 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCn1cccn1 ZINC001422490690 956080813 /nfs/dbraw/zinc/08/08/13/956080813.db2.gz QKRYHLLFZANQFS-GFCCVEGCSA-N 1 2 284.791 1.462 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cnc(C)nc1C ZINC001422910290 956444187 /nfs/dbraw/zinc/44/41/87/956444187.db2.gz TYEZAKUFERDXPS-JTQLQIEISA-N 1 2 296.802 1.896 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cnc(C)nc1C ZINC001422910290 956444194 /nfs/dbraw/zinc/44/41/94/956444194.db2.gz TYEZAKUFERDXPS-JTQLQIEISA-N 1 2 296.802 1.896 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCn1cc(C)cn1 ZINC001422916404 956446969 /nfs/dbraw/zinc/44/69/69/956446969.db2.gz JWNQDIQJBVTTPT-ZDUSSCGKSA-N 1 2 298.818 1.771 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCn1cc(C)cn1 ZINC001422916404 956446978 /nfs/dbraw/zinc/44/69/78/956446978.db2.gz JWNQDIQJBVTTPT-ZDUSSCGKSA-N 1 2 298.818 1.771 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(COC)CC2)C1 ZINC001366904187 957259972 /nfs/dbraw/zinc/25/99/72/957259972.db2.gz OSKDAOUEJLWFNA-LBPRGKRZSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(COC)CC2)C1 ZINC001366904187 957259980 /nfs/dbraw/zinc/25/99/80/957259980.db2.gz OSKDAOUEJLWFNA-LBPRGKRZSA-N 1 2 286.803 1.746 20 30 CDEDLO C=CCn1nnnc1N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC001332488173 957587655 /nfs/dbraw/zinc/58/76/55/957587655.db2.gz FJKFHCSUNSVTPS-RYUDHWBXSA-N 1 2 273.344 1.143 20 30 CDEDLO C#Cc1cccc(NC(=O)CNC(=O)[C@H](C)n2cc[nH+]c2)c1 ZINC001317997991 957850078 /nfs/dbraw/zinc/85/00/78/957850078.db2.gz JHVZOSBDHXPNST-LBPRGKRZSA-N 1 2 296.330 1.180 20 30 CDEDLO C#CC[N@@H+](Cc1nc2ccccc2c(=O)n1C)CC1CC1 ZINC001320134397 958961061 /nfs/dbraw/zinc/96/10/61/958961061.db2.gz BESHMWBRJWXYHB-UHFFFAOYSA-N 1 2 281.359 1.779 20 30 CDEDLO C#CC[N@H+](Cc1nc2ccccc2c(=O)n1C)CC1CC1 ZINC001320134397 958961071 /nfs/dbraw/zinc/96/10/71/958961071.db2.gz BESHMWBRJWXYHB-UHFFFAOYSA-N 1 2 281.359 1.779 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2c(C)cnn2COC)C1=O ZINC001335051033 959550094 /nfs/dbraw/zinc/55/00/94/959550094.db2.gz LBJPMUAGIFSAIS-ZDUSSCGKSA-N 1 2 292.383 1.014 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2c(C)cnn2COC)C1=O ZINC001335051033 959550106 /nfs/dbraw/zinc/55/01/06/959550106.db2.gz LBJPMUAGIFSAIS-ZDUSSCGKSA-N 1 2 292.383 1.014 20 30 CDEDLO N#CCOc1cc(F)ccc1NC(=O)Cc1[nH]cc[nH+]1 ZINC001433815069 960649955 /nfs/dbraw/zinc/64/99/55/960649955.db2.gz IZRXPIOGBWHSGJ-UHFFFAOYSA-N 1 2 274.255 1.632 20 30 CDEDLO C#CCN(CC1CC1)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC001324368324 961335800 /nfs/dbraw/zinc/33/58/00/961335800.db2.gz HYIGGBPMZGEPMM-ZIAGYGMSSA-N 1 2 293.411 1.150 20 30 CDEDLO C=C(Cl)CN1CC[C@H]1CN(C)C(=O)Cc1c[nH+]cn1C ZINC001436332184 962189021 /nfs/dbraw/zinc/18/90/21/962189021.db2.gz XWBGADQTNRLGJR-LBPRGKRZSA-N 1 2 296.802 1.248 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1c[nH]cn1 ZINC001437041333 962576928 /nfs/dbraw/zinc/57/69/28/962576928.db2.gz PCFPMOXQSLIYSA-CYBMUJFWSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)Cc1c[nH]cn1 ZINC001437041333 962576944 /nfs/dbraw/zinc/57/69/44/962576944.db2.gz PCFPMOXQSLIYSA-CYBMUJFWSA-N 1 2 296.802 1.675 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)CC[NH2+][C@H](C)c1nc(C2CC2)no1 ZINC001437826164 963199376 /nfs/dbraw/zinc/19/93/76/963199376.db2.gz AXWLDKHASWIAOX-NXEZZACHSA-N 1 2 291.355 1.216 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CC2(OC)CCC2)C1 ZINC001421123408 963455668 /nfs/dbraw/zinc/45/56/68/963455668.db2.gz CJYBVHUTTQURBL-UHFFFAOYSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CC1(O)CCC1 ZINC001440913166 964250907 /nfs/dbraw/zinc/25/09/07/964250907.db2.gz CETWVNSBNTUMGJ-LLVKDONJSA-N 1 2 274.792 1.481 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CC1(O)CCC1 ZINC001440913166 964250917 /nfs/dbraw/zinc/25/09/17/964250917.db2.gz CETWVNSBNTUMGJ-LLVKDONJSA-N 1 2 274.792 1.481 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCn2cc(C)cn2)C1 ZINC001441128278 964374783 /nfs/dbraw/zinc/37/47/83/964374783.db2.gz MLHJKCAOLXNMPY-CYBMUJFWSA-N 1 2 296.802 1.525 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCn2cc(C)cn2)C1 ZINC001441128278 964374794 /nfs/dbraw/zinc/37/47/94/964374794.db2.gz MLHJKCAOLXNMPY-CYBMUJFWSA-N 1 2 296.802 1.525 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)N1CCC[C@@](C)(C#N)C1 ZINC001347138430 965389945 /nfs/dbraw/zinc/38/99/45/965389945.db2.gz QVFFBCQALPFGLK-AWEZNQCLSA-N 1 2 260.341 1.505 20 30 CDEDLO C[C@@H](C#N)C(=O)NC1C[NH+](Cc2cccc3cccnc32)C1 ZINC001443460990 965479100 /nfs/dbraw/zinc/47/91/00/965479100.db2.gz LSTSJFNYHFOVNP-LBPRGKRZSA-N 1 2 294.358 1.695 20 30 CDEDLO C=CCC1(NC(=O)[C@@H](C)n2cc[nH+]c2)CCOCC1 ZINC001347853240 965730028 /nfs/dbraw/zinc/73/00/28/965730028.db2.gz RZDBFHSCIMPVND-GFCCVEGCSA-N 1 2 263.341 1.686 20 30 CDEDLO C[C@H](CCC#N)C[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC001349632079 966414531 /nfs/dbraw/zinc/41/45/31/966414531.db2.gz FOJDDBNWAURCLE-GHMZBOCLSA-N 1 2 263.345 1.686 20 30 CDEDLO C=CCCC(=O)NCC1CC([NH2+][C@H](C)c2noc(C)n2)C1 ZINC001100176898 967568928 /nfs/dbraw/zinc/56/89/28/967568928.db2.gz LVFKWNIPZHUEJQ-QFWMXSHPSA-N 1 2 292.383 1.890 20 30 CDEDLO CCN(CCNC(=O)C#CC1CC1)c1cc[nH+]c(C)n1 ZINC001100523497 968591394 /nfs/dbraw/zinc/59/13/94/968591394.db2.gz TYHQXLZMUNRLAC-UHFFFAOYSA-N 1 2 272.352 1.141 20 30 CDEDLO CON=CC(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001358482993 969744556 /nfs/dbraw/zinc/74/45/56/969744556.db2.gz BFVJTBQMXJCYLP-LBPRGKRZSA-N 1 2 281.743 1.445 20 30 CDEDLO Cc1cc(C)c(CNC(=O)[C@H](C)n2cnc(C#N)n2)c[nH+]1 ZINC001361410031 970180126 /nfs/dbraw/zinc/18/01/26/970180126.db2.gz FWXVBYMFYKDARS-NSHDSACASA-N 1 2 284.323 1.039 20 30 CDEDLO N#CCOc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC001361695674 970433379 /nfs/dbraw/zinc/43/33/79/970433379.db2.gz NYRGDXQPFWRULX-LBPRGKRZSA-N 1 2 296.330 1.987 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC1C[NH+](CC=C(Cl)Cl)C1 ZINC001377960232 975178388 /nfs/dbraw/zinc/17/83/88/975178388.db2.gz LOURLHGJEFZZGH-QMMMGPOBSA-N 1 2 276.167 1.513 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1c(C)ncn1C ZINC001379693672 976012783 /nfs/dbraw/zinc/01/27/83/976012783.db2.gz SPLSLYQXNCSMMT-JTQLQIEISA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1c(C)ncn1C ZINC001379693672 976012793 /nfs/dbraw/zinc/01/27/93/976012793.db2.gz SPLSLYQXNCSMMT-JTQLQIEISA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(CC)[nH]c(=O)c1 ZINC001390799468 976515722 /nfs/dbraw/zinc/51/57/22/976515722.db2.gz XXJMCJQNJLCZTG-UHFFFAOYSA-N 1 2 297.786 1.764 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(CC)[nH]c(=O)c1 ZINC001390799468 976515729 /nfs/dbraw/zinc/51/57/29/976515729.db2.gz XXJMCJQNJLCZTG-UHFFFAOYSA-N 1 2 297.786 1.764 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCc2ccncc2)C1 ZINC001391487178 976914460 /nfs/dbraw/zinc/91/44/60/976914460.db2.gz CHVCGTILLRIFQO-UHFFFAOYSA-N 1 2 293.798 1.815 20 30 CDEDLO COc1ccc(NC(=O)NCc2ccc[nH+]c2N)cc1C#N ZINC001414488247 977215724 /nfs/dbraw/zinc/21/57/24/977215724.db2.gz YCVZWBFXJVDGRY-UHFFFAOYSA-N 1 2 297.318 1.866 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nc(CC2CC2)no1 ZINC001132391292 1163275020 /nfs/dbraw/zinc/27/50/20/1163275020.db2.gz HCGFYRYVOPDSIH-UHFFFAOYSA-N 1 2 292.383 1.440 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1F ZINC000192070182 342468022 /nfs/dbraw/zinc/46/80/22/342468022.db2.gz OSQGTBPTRNHXCJ-CABCVRRESA-N 1 2 287.338 1.940 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1F ZINC000192070182 342468023 /nfs/dbraw/zinc/46/80/23/342468023.db2.gz OSQGTBPTRNHXCJ-CABCVRRESA-N 1 2 287.338 1.940 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000068468675 342486887 /nfs/dbraw/zinc/48/68/87/342486887.db2.gz KRMOZWYBMMGONN-UHFFFAOYSA-N 1 2 280.730 1.870 20 30 CDEDLO Cn1c2ccccc2[nH+]c1N1CCN(CCC#N)CC1 ZINC000601262621 342539906 /nfs/dbraw/zinc/53/99/06/342539906.db2.gz PAHGMNJOZLGLQU-UHFFFAOYSA-N 1 2 269.352 1.609 20 30 CDEDLO Cc1ccc(C[N@H+](C)CC(=O)N(CCC#N)CCC#N)nc1 ZINC000590754891 342587816 /nfs/dbraw/zinc/58/78/16/342587816.db2.gz RQABNAOZNQOKON-UHFFFAOYSA-N 1 2 299.378 1.478 20 30 CDEDLO Cc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)CCC#N)nc1 ZINC000590754891 342587817 /nfs/dbraw/zinc/58/78/17/342587817.db2.gz RQABNAOZNQOKON-UHFFFAOYSA-N 1 2 299.378 1.478 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC ZINC000590652728 342580782 /nfs/dbraw/zinc/58/07/82/342580782.db2.gz MHQASAPZYXMDMY-MROQNXINSA-N 1 2 271.357 1.276 20 30 CDEDLO C[C@@H](NC(=O)COc1ccccc1C#N)c1[nH]cc[nH+]1 ZINC000139672203 342071665 /nfs/dbraw/zinc/07/16/65/342071665.db2.gz YNGRGEDDVNXVPN-SNVBAGLBSA-N 1 2 270.292 1.538 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CCCCCC#N ZINC000588348017 342093515 /nfs/dbraw/zinc/09/35/15/342093515.db2.gz ORSBABZYMNABGK-CYBMUJFWSA-N 1 2 267.373 1.297 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)CCCCCC#N ZINC000588348017 342093516 /nfs/dbraw/zinc/09/35/16/342093516.db2.gz ORSBABZYMNABGK-CYBMUJFWSA-N 1 2 267.373 1.297 20 30 CDEDLO Cc1nc(NC(=O)CCCn2cc[nH+]c2)ccc1C#N ZINC000591007532 342613733 /nfs/dbraw/zinc/61/37/33/342613733.db2.gz GNPIBWUREHYTDQ-UHFFFAOYSA-N 1 2 269.308 1.299 20 30 CDEDLO CN1CC[N@H+](C)[C@H](CNc2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC000127819630 187334887 /nfs/dbraw/zinc/33/48/87/187334887.db2.gz MAXIRYQGSCCPED-CYBMUJFWSA-N 1 2 289.339 1.124 20 30 CDEDLO CN1CC[N@@H+](C)[C@H](CNc2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC000127819630 187334889 /nfs/dbraw/zinc/33/48/89/187334889.db2.gz MAXIRYQGSCCPED-CYBMUJFWSA-N 1 2 289.339 1.124 20 30 CDEDLO COCC[N@H+](CCC#N)CCn1cc(Cl)cn1 ZINC000312890180 342146958 /nfs/dbraw/zinc/14/69/58/342146958.db2.gz VAFGJQTXFGOCNS-UHFFFAOYSA-N 1 2 256.737 1.399 20 30 CDEDLO COCC[N@@H+](CCC#N)CCn1cc(Cl)cn1 ZINC000312890180 342146959 /nfs/dbraw/zinc/14/69/59/342146959.db2.gz VAFGJQTXFGOCNS-UHFFFAOYSA-N 1 2 256.737 1.399 20 30 CDEDLO CC(C)(C)[C@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000592510604 342700015 /nfs/dbraw/zinc/70/00/15/342700015.db2.gz LFQULYKULLHGPT-CQSZACIVSA-N 1 2 299.378 1.848 20 30 CDEDLO CC(C)(C)[C@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000592510604 342700016 /nfs/dbraw/zinc/70/00/16/342700016.db2.gz LFQULYKULLHGPT-CQSZACIVSA-N 1 2 299.378 1.848 20 30 CDEDLO C[C@]1(C#N)CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000592947451 342748989 /nfs/dbraw/zinc/74/89/89/342748989.db2.gz IUAHCSJBLFFCAM-SWLSCSKDSA-N 1 2 272.352 1.598 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc2ccncc2c1 ZINC000593153590 342774279 /nfs/dbraw/zinc/77/42/79/342774279.db2.gz VRCFEECNEAENML-MRXNPFEDSA-N 1 2 282.347 1.808 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000593155237 342774351 /nfs/dbraw/zinc/77/43/51/342774351.db2.gz CPBKNKXGMRYTTP-CQSZACIVSA-N 1 2 288.307 1.107 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCCC1(C)C ZINC000593155005 342774515 /nfs/dbraw/zinc/77/45/15/342774515.db2.gz XQGKNSYZWGCEQW-SMDDNHRTSA-N 1 2 251.374 1.773 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000599311245 344004877 /nfs/dbraw/zinc/00/48/77/344004877.db2.gz IBCSOQPVSHZFDF-ZDUSSCGKSA-N 1 2 295.342 1.520 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000599311245 344004880 /nfs/dbraw/zinc/00/48/80/344004880.db2.gz IBCSOQPVSHZFDF-ZDUSSCGKSA-N 1 2 295.342 1.520 20 30 CDEDLO Cn1ncc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000290058450 361986595 /nfs/dbraw/zinc/98/65/95/361986595.db2.gz SJLIGHQJLJZZDT-UHFFFAOYSA-N 1 2 296.378 1.005 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)cc1F ZINC000496417113 539114308 /nfs/dbraw/zinc/11/43/08/539114308.db2.gz KLJOMMDMRBGXIK-ZDUSSCGKSA-N 1 2 289.310 1.724 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)cc1F ZINC000496417113 539114309 /nfs/dbraw/zinc/11/43/09/539114309.db2.gz KLJOMMDMRBGXIK-ZDUSSCGKSA-N 1 2 289.310 1.724 20 30 CDEDLO C[C@@H]1CN(CC[N@@H+]2CCC[C@](C)(C#N)C2)C[C@H](C)O1 ZINC000595427196 343056875 /nfs/dbraw/zinc/05/68/75/343056875.db2.gz SLUHMHLCUBELPW-QLFBSQMISA-N 1 2 265.401 1.721 20 30 CDEDLO C[C@@H]1CN(CC[N@H+]2CCC[C@](C)(C#N)C2)C[C@H](C)O1 ZINC000595427196 343056876 /nfs/dbraw/zinc/05/68/76/343056876.db2.gz SLUHMHLCUBELPW-QLFBSQMISA-N 1 2 265.401 1.721 20 30 CDEDLO COC(=O)C[N@H+](Cc1cccc(C#N)c1)C1CCOCC1 ZINC000076118038 342319109 /nfs/dbraw/zinc/31/91/09/342319109.db2.gz HTNOVJNTWILBJP-UHFFFAOYSA-N 1 2 288.347 1.712 20 30 CDEDLO COC(=O)C[N@@H+](Cc1cccc(C#N)c1)C1CCOCC1 ZINC000076118038 342319110 /nfs/dbraw/zinc/31/91/10/342319110.db2.gz HTNOVJNTWILBJP-UHFFFAOYSA-N 1 2 288.347 1.712 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](CC)[C@@H](C)C(=O)OC(C)(C)C)C1=O ZINC000595607587 343107378 /nfs/dbraw/zinc/10/73/78/343107378.db2.gz WDKIYRGQLXNVHI-STQMWFEESA-N 1 2 296.411 1.825 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](CC)[C@@H](C)C(=O)OC(C)(C)C)C1=O ZINC000595607587 343107380 /nfs/dbraw/zinc/10/73/80/343107380.db2.gz WDKIYRGQLXNVHI-STQMWFEESA-N 1 2 296.411 1.825 20 30 CDEDLO COCC#CC[N@H+](C1CC1)C1(C(=O)OC)CCC1 ZINC000595542665 343093948 /nfs/dbraw/zinc/09/39/48/343093948.db2.gz UMCIZAVVIVPYMS-UHFFFAOYSA-N 1 2 251.326 1.196 20 30 CDEDLO COCC#CC[N@@H+](C1CC1)C1(C(=O)OC)CCC1 ZINC000595542665 343093949 /nfs/dbraw/zinc/09/39/49/343093949.db2.gz UMCIZAVVIVPYMS-UHFFFAOYSA-N 1 2 251.326 1.196 20 30 CDEDLO C[C@]1(C(=O)NCC2([NH+]3CCOCC3)CC2)CCCOC1 ZINC000329901271 362086732 /nfs/dbraw/zinc/08/67/32/362086732.db2.gz GUDVYPMWWAQHHR-AWEZNQCLSA-N 1 2 282.384 1.624 20 30 CDEDLO N#Cc1cnnc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000596154071 343246757 /nfs/dbraw/zinc/24/67/57/343246757.db2.gz KDGITNMSZGMBPH-LLVKDONJSA-N 1 2 254.297 1.803 20 30 CDEDLO C#CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CCCCC1 ZINC000081300710 342367060 /nfs/dbraw/zinc/36/70/60/342367060.db2.gz XYQFFZXTBGVJRW-CQSZACIVSA-N 1 2 264.369 1.112 20 30 CDEDLO C#CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CCCCC1 ZINC000081300710 342367061 /nfs/dbraw/zinc/36/70/61/342367061.db2.gz XYQFFZXTBGVJRW-CQSZACIVSA-N 1 2 264.369 1.112 20 30 CDEDLO Cc1nccc(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)n1 ZINC000330103075 362147236 /nfs/dbraw/zinc/14/72/36/362147236.db2.gz GBBPMNKIYSZBLQ-MNOVXSKESA-N 1 2 293.371 1.220 20 30 CDEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(C#N)s1 ZINC000126658317 187254490 /nfs/dbraw/zinc/25/44/90/187254490.db2.gz ADVMHUKYXVAKEH-UWVGGRQHSA-N 1 2 286.422 1.873 20 30 CDEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000126658317 187254491 /nfs/dbraw/zinc/25/44/91/187254491.db2.gz ADVMHUKYXVAKEH-UWVGGRQHSA-N 1 2 286.422 1.873 20 30 CDEDLO COC(=O)CN1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC000599382159 344032111 /nfs/dbraw/zinc/03/21/11/344032111.db2.gz UHIIYPDAOSCOTI-UHFFFAOYSA-N 1 2 287.363 1.157 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000597793869 343636920 /nfs/dbraw/zinc/63/69/20/343636920.db2.gz ZBMGMKXHIPUDIF-IRCOFANPSA-N 1 2 258.325 1.332 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCc2cc(C#N)ccc21 ZINC000597770994 343630147 /nfs/dbraw/zinc/63/01/47/343630147.db2.gz AOBCLBJOOLEWDJ-ZIAGYGMSSA-N 1 2 292.342 1.985 20 30 CDEDLO C=CCCSCCNC(=O)Cc1c[nH+]cn1C ZINC000597966708 343671991 /nfs/dbraw/zinc/67/19/91/343671991.db2.gz ARIHFDDHDTZENL-UHFFFAOYSA-N 1 2 253.371 1.388 20 30 CDEDLO C=CCCSCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000597967570 343686657 /nfs/dbraw/zinc/68/66/57/343686657.db2.gz ZRFCMGYDOAETEE-UHFFFAOYSA-N 1 2 253.371 1.768 20 30 CDEDLO C=CCCSCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000597967570 343686659 /nfs/dbraw/zinc/68/66/59/343686659.db2.gz ZRFCMGYDOAETEE-UHFFFAOYSA-N 1 2 253.371 1.768 20 30 CDEDLO C[C@H](C#N)N(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC000598135515 343724608 /nfs/dbraw/zinc/72/46/08/343724608.db2.gz XMZCULZEFBQHAO-YUSALJHKSA-N 1 2 258.325 1.427 20 30 CDEDLO C=C[C@H]([NH2+]CCCn1cnc2ccccc21)C(=O)OC ZINC000619700056 349856688 /nfs/dbraw/zinc/85/66/88/349856688.db2.gz VPMQIKYVKQOSBP-LBPRGKRZSA-N 1 2 273.336 1.744 20 30 CDEDLO C[C@H](NC(=O)Cc1cccc(C#N)c1)c1[nH+]ccn1C ZINC000598466352 343806962 /nfs/dbraw/zinc/80/69/62/343806962.db2.gz ZBUXHCARMVNKRV-NSHDSACASA-N 1 2 268.320 1.712 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000598593367 343839069 /nfs/dbraw/zinc/83/90/69/343839069.db2.gz RMOGQYDQYNSXAS-GXTWGEPZSA-N 1 2 278.352 1.954 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000598593367 343839070 /nfs/dbraw/zinc/83/90/70/343839070.db2.gz RMOGQYDQYNSXAS-GXTWGEPZSA-N 1 2 278.352 1.954 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000598593370 343839782 /nfs/dbraw/zinc/83/97/82/343839782.db2.gz RMOGQYDQYNSXAS-TZMCWYRMSA-N 1 2 278.352 1.954 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000598593370 343839783 /nfs/dbraw/zinc/83/97/83/343839783.db2.gz RMOGQYDQYNSXAS-TZMCWYRMSA-N 1 2 278.352 1.954 20 30 CDEDLO CC(C)CN1CC[N@H+](C[C@H](O)CC(C)(C)C#N)[C@H](C)C1=O ZINC000598607612 343852589 /nfs/dbraw/zinc/85/25/89/343852589.db2.gz RNVQAYHSFOXOMZ-ZIAGYGMSSA-N 1 2 295.427 1.476 20 30 CDEDLO CC(C)CN1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@H](C)C1=O ZINC000598607612 343852591 /nfs/dbraw/zinc/85/25/91/343852591.db2.gz RNVQAYHSFOXOMZ-ZIAGYGMSSA-N 1 2 295.427 1.476 20 30 CDEDLO Cc1nccnc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000598678637 343875305 /nfs/dbraw/zinc/87/53/05/343875305.db2.gz JJSFTVXVTMGOFQ-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO Cc1cc(C)cc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000598836310 343914590 /nfs/dbraw/zinc/91/45/90/343914590.db2.gz FZAHTMKHOHXEAR-INIZCTEOSA-N 1 2 273.380 1.806 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCc2cnc(N)nc2C1 ZINC000598948536 343933010 /nfs/dbraw/zinc/93/30/10/343933010.db2.gz HDKXCLWFQVGMFZ-UHFFFAOYSA-N 1 2 265.320 1.319 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCc2cnc(N)nc2C1 ZINC000598948536 343933011 /nfs/dbraw/zinc/93/30/11/343933011.db2.gz HDKXCLWFQVGMFZ-UHFFFAOYSA-N 1 2 265.320 1.319 20 30 CDEDLO COC(=O)c1csc(C[NH2+]CC2(C#N)CC2)c1 ZINC000602643365 344513013 /nfs/dbraw/zinc/51/30/13/344513013.db2.gz QBEWSGSASMJIJH-UHFFFAOYSA-N 1 2 250.323 1.928 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612136853 347053616 /nfs/dbraw/zinc/05/36/16/347053616.db2.gz LZQWINXMSJQKRF-ZFWWWQNUSA-N 1 2 294.399 1.042 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612136853 347053617 /nfs/dbraw/zinc/05/36/17/347053617.db2.gz LZQWINXMSJQKRF-ZFWWWQNUSA-N 1 2 294.399 1.042 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000602750121 344579693 /nfs/dbraw/zinc/57/96/93/344579693.db2.gz BVTLCCDSOXHMJF-UHFFFAOYSA-N 1 2 273.336 1.447 20 30 CDEDLO N#CCC1(C[NH+]2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000602755222 344581764 /nfs/dbraw/zinc/58/17/64/344581764.db2.gz BFUHKQRWSXWCAW-UHFFFAOYSA-N 1 2 273.336 1.731 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)NC(=O)Nc1ccccc1 ZINC000602860398 344616261 /nfs/dbraw/zinc/61/62/61/344616261.db2.gz BJPCSCQPFNFUFI-WDEREUQCSA-N 1 2 274.324 1.615 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000602861760 344617198 /nfs/dbraw/zinc/61/71/98/344617198.db2.gz IRFBHYYQOSJHMD-LLVKDONJSA-N 1 2 256.309 1.066 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N1CCC[C@](C)(C#N)C1 ZINC000612158065 347061801 /nfs/dbraw/zinc/06/18/01/347061801.db2.gz HJWWLNTWVFAXHB-ZIAGYGMSSA-N 1 2 251.374 1.333 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(CC#N)cc2)nn1 ZINC000603221221 344748182 /nfs/dbraw/zinc/74/81/82/344748182.db2.gz CAWCEPKOUKVSKB-UHFFFAOYSA-N 1 2 279.347 1.505 20 30 CDEDLO C[N@@H+]1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1(C)C ZINC000603373837 344786905 /nfs/dbraw/zinc/78/69/05/344786905.db2.gz HIWRCZKSUFKOFX-UHFFFAOYSA-N 1 2 287.429 1.282 20 30 CDEDLO C[N@H+]1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1(C)C ZINC000603373837 344786907 /nfs/dbraw/zinc/78/69/07/344786907.db2.gz HIWRCZKSUFKOFX-UHFFFAOYSA-N 1 2 287.429 1.282 20 30 CDEDLO CC(C)[C@H](C)NC(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609486193 344915231 /nfs/dbraw/zinc/91/52/31/344915231.db2.gz FTLIAKOFXYYVMX-LSDHHAIUSA-N 1 2 294.443 1.313 20 30 CDEDLO C=CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@H](C)COC ZINC000617584645 345870749 /nfs/dbraw/zinc/87/07/49/345870749.db2.gz HSRLUYRPBHRUMR-QWHCGFSZSA-N 1 2 265.357 1.884 20 30 CDEDLO CCn1cc[nH+]c1CN1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC000609921343 346041334 /nfs/dbraw/zinc/04/13/34/346041334.db2.gz KNCBHAFCBMPNQX-ZDUSSCGKSA-N 1 2 289.383 1.097 20 30 CDEDLO CC(=O)Nc1ccccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000584723906 346419150 /nfs/dbraw/zinc/41/91/50/346419150.db2.gz PSQXUZSARHODBU-CYBMUJFWSA-N 1 2 291.351 1.230 20 30 CDEDLO CC(=O)Nc1ccccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000584723906 346419153 /nfs/dbraw/zinc/41/91/53/346419153.db2.gz PSQXUZSARHODBU-CYBMUJFWSA-N 1 2 291.351 1.230 20 30 CDEDLO C=CCOc1ccccc1C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000449523516 362743447 /nfs/dbraw/zinc/74/34/47/362743447.db2.gz LNYMNJGJEFWAGL-GFCCVEGCSA-N 1 2 260.337 1.572 20 30 CDEDLO C=CCOc1ccccc1C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000449523516 362743450 /nfs/dbraw/zinc/74/34/50/362743450.db2.gz LNYMNJGJEFWAGL-GFCCVEGCSA-N 1 2 260.337 1.572 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000610913719 346489698 /nfs/dbraw/zinc/48/96/98/346489698.db2.gz WRBBNVAUYSQQMH-LLVKDONJSA-N 1 2 291.376 1.166 20 30 CDEDLO Cn1cnc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)n1 ZINC000611395060 346777132 /nfs/dbraw/zinc/77/71/32/346777132.db2.gz IRYBYKIOEGXQRC-AWEZNQCLSA-N 1 2 267.336 1.854 20 30 CDEDLO C#C[C@@H]1COCCN1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000491496234 347582997 /nfs/dbraw/zinc/58/29/97/347582997.db2.gz OZQGLCFTANKTEB-CYBMUJFWSA-N 1 2 275.739 1.822 20 30 CDEDLO C#C[C@H](CCC)NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000491695386 347587053 /nfs/dbraw/zinc/58/70/53/347587053.db2.gz MOBFXPDAYURXFT-OLZOCXBDSA-N 1 2 274.368 1.972 20 30 CDEDLO C=C[C@H](O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000614188998 348029903 /nfs/dbraw/zinc/02/99/03/348029903.db2.gz NLAUPFGIWFUMBN-AWEZNQCLSA-N 1 2 289.379 1.472 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)CSCCC(F)(F)F ZINC000414126658 362921159 /nfs/dbraw/zinc/92/11/59/362921159.db2.gz OPPXDDXCGXPJFR-SECBINFHSA-N 1 2 270.320 1.878 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)CSCCC(F)(F)F ZINC000414126658 362921164 /nfs/dbraw/zinc/92/11/64/362921164.db2.gz OPPXDDXCGXPJFR-SECBINFHSA-N 1 2 270.320 1.878 20 30 CDEDLO Cc1nc(C(=O)NCc2cn3ccccc3[nH+]2)ccc1C#N ZINC000028875775 348668449 /nfs/dbraw/zinc/66/84/49/348668449.db2.gz JEJNFSCVHMOBMP-UHFFFAOYSA-N 1 2 291.314 1.839 20 30 CDEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](COC)c1ccco1 ZINC000273487006 192172210 /nfs/dbraw/zinc/17/22/10/192172210.db2.gz JNMMKRNMPFXRAX-CYBMUJFWSA-N 1 2 278.352 1.757 20 30 CDEDLO N#Cc1ccccc1Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000603173722 350224664 /nfs/dbraw/zinc/22/46/64/350224664.db2.gz OQBXGHLJHLSASM-UHFFFAOYSA-N 1 2 297.362 1.073 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000291441345 198023188 /nfs/dbraw/zinc/02/31/88/198023188.db2.gz ZHUJYTZIVNNTCX-MRXNPFEDSA-N 1 2 291.395 1.755 20 30 CDEDLO CC(=O)N1CCC(C/[NH+]=C/c2cccc(O)c2O)CC1 ZINC000264446051 363065754 /nfs/dbraw/zinc/06/57/54/363065754.db2.gz UUDIONSRVRDZOH-MHWRWJLKSA-N 1 2 276.336 1.775 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000156111936 188243178 /nfs/dbraw/zinc/24/31/78/188243178.db2.gz JHDVCEGKCOKLNR-KBPBESRZSA-N 1 2 274.320 1.229 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000156111936 188243179 /nfs/dbraw/zinc/24/31/79/188243179.db2.gz JHDVCEGKCOKLNR-KBPBESRZSA-N 1 2 274.320 1.229 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000355499525 366106715 /nfs/dbraw/zinc/10/67/15/366106715.db2.gz LTBZPPQPVMRVFD-HNNXBMFYSA-N 1 2 281.400 1.495 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000355499525 366106718 /nfs/dbraw/zinc/10/67/18/366106718.db2.gz LTBZPPQPVMRVFD-HNNXBMFYSA-N 1 2 281.400 1.495 20 30 CDEDLO C#Cc1cccc(NC(=O)NCC[NH+]2CCOCC2)c1 ZINC000065550815 363313993 /nfs/dbraw/zinc/31/39/93/363313993.db2.gz XDAPDPKTRABXAX-UHFFFAOYSA-N 1 2 273.336 1.122 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000336307278 363337747 /nfs/dbraw/zinc/33/77/47/363337747.db2.gz IVFOPBKHQKDTKH-STQMWFEESA-N 1 2 266.385 1.520 20 30 CDEDLO N#C[C@H]1COCCN1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000081166264 283070275 /nfs/dbraw/zinc/07/02/75/283070275.db2.gz CBAJNPSKKUBAEU-HNNXBMFYSA-N 1 2 268.320 1.597 20 30 CDEDLO C=CCS(=O)(=O)CCNC(=O)Nc1ccc(C)[nH+]c1C ZINC000273025914 192022730 /nfs/dbraw/zinc/02/27/30/192022730.db2.gz XMMUQFNHUAWPOD-UHFFFAOYSA-N 1 2 297.380 1.421 20 30 CDEDLO CC(=O)N1CC[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000336546743 356204310 /nfs/dbraw/zinc/20/43/10/356204310.db2.gz DPSCALBLAZIGGJ-NSHDSACASA-N 1 2 275.327 1.750 20 30 CDEDLO CC(=O)N1CC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000336546743 356204313 /nfs/dbraw/zinc/20/43/13/356204313.db2.gz DPSCALBLAZIGGJ-NSHDSACASA-N 1 2 275.327 1.750 20 30 CDEDLO CCN1CC[N@H+](CCOc2cccc(C#N)c2)CC1=O ZINC000273546393 192196445 /nfs/dbraw/zinc/19/64/45/192196445.db2.gz USHPXQNXONFRND-UHFFFAOYSA-N 1 2 273.336 1.101 20 30 CDEDLO CCN1CC[N@@H+](CCOc2cccc(C#N)c2)CC1=O ZINC000273546393 192196447 /nfs/dbraw/zinc/19/64/47/192196447.db2.gz USHPXQNXONFRND-UHFFFAOYSA-N 1 2 273.336 1.101 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1nnc(C)s1 ZINC000273578990 192211975 /nfs/dbraw/zinc/21/19/75/192211975.db2.gz GOCIOVWQEMYOLX-SFYZADRCSA-N 1 2 254.359 1.188 20 30 CDEDLO CC(C)(CNC(=O)COc1cccnc1)[NH+]1CCOCC1 ZINC000328848584 538442108 /nfs/dbraw/zinc/44/21/08/538442108.db2.gz RBUZGWAEOZAQPH-UHFFFAOYSA-N 1 2 293.367 1.528 20 30 CDEDLO CC(C)[C@H](NC(=O)c1cc(C#N)cn1C)c1[nH]cc[nH+]1 ZINC000342379104 363487927 /nfs/dbraw/zinc/48/79/27/363487927.db2.gz PJHGPRJVPVVHRJ-LBPRGKRZSA-N 1 2 271.324 1.747 20 30 CDEDLO CCc1nnc(C[N@H+](C)CCOCc2ccc(C#N)cc2)[nH]1 ZINC000344139339 356911888 /nfs/dbraw/zinc/91/18/88/356911888.db2.gz LKQGVUXDDSMVSY-UHFFFAOYSA-N 1 2 299.378 1.887 20 30 CDEDLO CCc1nnc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)[nH]1 ZINC000344139339 356911892 /nfs/dbraw/zinc/91/18/92/356911892.db2.gz LKQGVUXDDSMVSY-UHFFFAOYSA-N 1 2 299.378 1.887 20 30 CDEDLO CCc1ccc(/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C)o1 ZINC000493101454 358512882 /nfs/dbraw/zinc/51/28/82/358512882.db2.gz CNYWYWYRTROYHB-XVJNWHFHSA-N 1 2 275.352 1.815 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000299258108 357000568 /nfs/dbraw/zinc/00/05/68/357000568.db2.gz VYPKHKZOPJPZEF-UHFFFAOYSA-N 1 2 260.337 1.678 20 30 CDEDLO CC(C)[C@H](NC(=O)c1ccc(C#N)[nH]1)c1[nH]cc[nH+]1 ZINC000283040188 357520757 /nfs/dbraw/zinc/52/07/57/357520757.db2.gz PIKHFZUIBZEHHC-NSHDSACASA-N 1 2 257.297 1.737 20 30 CDEDLO COc1cc[nH+]cc1Cn1nc(C)c(C)c(C#N)c1=O ZINC000286663397 357655886 /nfs/dbraw/zinc/65/58/86/357655886.db2.gz RMRHZAXYZNYQSS-UHFFFAOYSA-N 1 2 270.292 1.184 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(CCO)CC1 ZINC000186297985 357635812 /nfs/dbraw/zinc/63/58/12/357635812.db2.gz NWGHTBUACHSMKK-ZDUSSCGKSA-N 1 2 259.353 1.229 20 30 CDEDLO N#CCN1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000072516054 357840626 /nfs/dbraw/zinc/84/06/26/357840626.db2.gz CPQLCSOZDZENEL-UHFFFAOYSA-N 1 2 281.306 1.929 20 30 CDEDLO Cn1cc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1C#N ZINC000191288299 358124517 /nfs/dbraw/zinc/12/45/17/358124517.db2.gz CYGYAJXOBYOURV-KGLIPLIRSA-N 1 2 272.352 1.140 20 30 CDEDLO Cn1cc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1C#N ZINC000191288299 358124521 /nfs/dbraw/zinc/12/45/21/358124521.db2.gz CYGYAJXOBYOURV-KGLIPLIRSA-N 1 2 272.352 1.140 20 30 CDEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000082255003 358152528 /nfs/dbraw/zinc/15/25/28/358152528.db2.gz GSHOCYCLHKBZCI-LBPRGKRZSA-N 1 2 258.325 1.200 20 30 CDEDLO Cc1cc(N(C)C[C@@H](C)c2nn[nH]n2)c(C#N)c[nH+]1 ZINC000566616442 358188338 /nfs/dbraw/zinc/18/83/38/358188338.db2.gz SFMBRNXWGHEVKK-MRVPVSSYSA-N 1 2 257.301 1.015 20 30 CDEDLO C#CCO[C@@H](C)C(=O)NCCCNc1cccc[nH+]1 ZINC000294790829 199184601 /nfs/dbraw/zinc/18/46/01/199184601.db2.gz DGJSRLXHQYBVDV-LBPRGKRZSA-N 1 2 261.325 1.038 20 30 CDEDLO COc1ccccc1/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000493497365 366414563 /nfs/dbraw/zinc/41/45/63/366414563.db2.gz QQISYCIIKQLICA-ZBTGYSDGSA-N 1 2 287.363 1.668 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000024900320 358550968 /nfs/dbraw/zinc/55/09/68/358550968.db2.gz HNODBWUBJPFDGO-JTQLQIEISA-N 1 2 293.392 1.507 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000024900320 358550970 /nfs/dbraw/zinc/55/09/70/358550970.db2.gz HNODBWUBJPFDGO-JTQLQIEISA-N 1 2 293.392 1.507 20 30 CDEDLO C=CCOCCNC(=O)NCc1c[nH+]ccc1OC ZINC000644908053 358647863 /nfs/dbraw/zinc/64/78/63/358647863.db2.gz NNQYZRVOTORYFO-UHFFFAOYSA-N 1 2 265.313 1.092 20 30 CDEDLO Cn1cccc1C[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000567735647 358725632 /nfs/dbraw/zinc/72/56/32/358725632.db2.gz NGMIDEOTNQFVTM-UHFFFAOYSA-N 1 2 280.335 1.571 20 30 CDEDLO Cn1cccc1C[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000567735647 358725638 /nfs/dbraw/zinc/72/56/38/358725638.db2.gz NGMIDEOTNQFVTM-UHFFFAOYSA-N 1 2 280.335 1.571 20 30 CDEDLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1ccccc1C#N ZINC000185110122 358772887 /nfs/dbraw/zinc/77/28/87/358772887.db2.gz LWPDBIYBTDENDW-PIGZYNQJSA-N 1 2 250.367 1.757 20 30 CDEDLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1ccccc1C#N ZINC000185110122 358772892 /nfs/dbraw/zinc/77/28/92/358772892.db2.gz LWPDBIYBTDENDW-PIGZYNQJSA-N 1 2 250.367 1.757 20 30 CDEDLO N#CC1(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000572344271 359074192 /nfs/dbraw/zinc/07/41/92/359074192.db2.gz AQHHOAAHSXNBIW-UHFFFAOYSA-N 1 2 266.304 1.906 20 30 CDEDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccncc1F ZINC000338363653 359117742 /nfs/dbraw/zinc/11/77/42/359117742.db2.gz AQPAJRPUEAQNCQ-BONVTDFDSA-N 1 2 298.321 1.970 20 30 CDEDLO CC1(C)C[S@@](=O)CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000330986881 359305636 /nfs/dbraw/zinc/30/56/36/359305636.db2.gz GFOOIUDIKAEHNN-FQEVSTJZSA-N 1 2 292.404 1.780 20 30 CDEDLO CC1(C)C[S@@](=O)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000330986881 359305640 /nfs/dbraw/zinc/30/56/40/359305640.db2.gz GFOOIUDIKAEHNN-FQEVSTJZSA-N 1 2 292.404 1.780 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1ccc(C(=O)OC)cc1)C1CC1 ZINC000274240041 359494762 /nfs/dbraw/zinc/49/47/62/359494762.db2.gz XSBYIKKYSCKGEI-UHFFFAOYSA-N 1 2 286.331 1.509 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1ccc(C(=O)OC)cc1)C1CC1 ZINC000274240041 359494768 /nfs/dbraw/zinc/49/47/68/359494768.db2.gz XSBYIKKYSCKGEI-UHFFFAOYSA-N 1 2 286.331 1.509 20 30 CDEDLO Cc1nc(C#N)c(C#N)n1Cc1cn2ccccc2[nH+]1 ZINC000155268543 237057424 /nfs/dbraw/zinc/05/74/24/237057424.db2.gz GALGYKNLZBCIDQ-UHFFFAOYSA-N 1 2 262.276 1.631 20 30 CDEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000408428821 359769132 /nfs/dbraw/zinc/76/91/32/359769132.db2.gz VTQUGGXSXZAOAH-WDEREUQCSA-N 1 2 273.336 1.428 20 30 CDEDLO N#CC1CC[NH+](CC(=O)N2CCc3sccc3C2)CC1 ZINC000057878464 360163829 /nfs/dbraw/zinc/16/38/29/360163829.db2.gz PNURZMJNRGRUOR-UHFFFAOYSA-N 1 2 289.404 1.868 20 30 CDEDLO N#CC1(C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)CCC1 ZINC000514840453 360236198 /nfs/dbraw/zinc/23/61/98/360236198.db2.gz JDMPGRDNJSRYGG-MJBXVCDLSA-N 1 2 264.369 1.542 20 30 CDEDLO N#CC1(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)CCC1 ZINC000514840453 360236201 /nfs/dbraw/zinc/23/62/01/360236201.db2.gz JDMPGRDNJSRYGG-MJBXVCDLSA-N 1 2 264.369 1.542 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)C[C@H](C)C#N)CCC2 ZINC000337602078 360280510 /nfs/dbraw/zinc/28/05/10/360280510.db2.gz OHHNOEUAGMYUGY-YPMHNXCESA-N 1 2 289.383 1.870 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](CC)C[C@H](C)C#N ZINC000098134580 360353485 /nfs/dbraw/zinc/35/34/85/360353485.db2.gz NWFPHHMCZGJDPJ-GFCCVEGCSA-N 1 2 250.346 1.230 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](CC)C[C@H](C)C#N ZINC000098134580 360353488 /nfs/dbraw/zinc/35/34/88/360353488.db2.gz NWFPHHMCZGJDPJ-GFCCVEGCSA-N 1 2 250.346 1.230 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Nc2ccc(OC)cc2)CC1 ZINC000051315824 360960227 /nfs/dbraw/zinc/96/02/27/360960227.db2.gz GNMMMPWMFJSLGA-UHFFFAOYSA-N 1 2 273.336 1.478 20 30 CDEDLO CCN(c1cc[nH+]cc1)S(=O)(=O)CCCCC#N ZINC000132372690 361227102 /nfs/dbraw/zinc/22/71/02/361227102.db2.gz YFUNXPSJVGEHLV-UHFFFAOYSA-N 1 2 267.354 1.932 20 30 CDEDLO Cn1ccc(N2CCC[C@H]([N@H+](C)CC(C)(C)C#N)C2=O)n1 ZINC000433291163 361227163 /nfs/dbraw/zinc/22/71/63/361227163.db2.gz UYRHRBMQJPHBBE-LBPRGKRZSA-N 1 2 289.383 1.397 20 30 CDEDLO Cn1ccc(N2CCC[C@H]([N@@H+](C)CC(C)(C)C#N)C2=O)n1 ZINC000433291163 361227164 /nfs/dbraw/zinc/22/71/64/361227164.db2.gz UYRHRBMQJPHBBE-LBPRGKRZSA-N 1 2 289.383 1.397 20 30 CDEDLO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(C)(C)C#N ZINC000433319574 361233166 /nfs/dbraw/zinc/23/31/66/361233166.db2.gz RJMXVOQDLAPZKW-UHFFFAOYSA-N 1 2 278.312 1.238 20 30 CDEDLO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(C)(C)C#N ZINC000433319574 361233170 /nfs/dbraw/zinc/23/31/70/361233170.db2.gz RJMXVOQDLAPZKW-UHFFFAOYSA-N 1 2 278.312 1.238 20 30 CDEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433329832 361233920 /nfs/dbraw/zinc/23/39/20/361233920.db2.gz ZKVXGERXECZQNL-NSHDSACASA-N 1 2 282.388 1.338 20 30 CDEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433329832 361233926 /nfs/dbraw/zinc/23/39/26/361233926.db2.gz ZKVXGERXECZQNL-NSHDSACASA-N 1 2 282.388 1.338 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(Cl)s1 ZINC000562322796 361280475 /nfs/dbraw/zinc/28/04/75/361280475.db2.gz NJAFCBJLCXTBCN-NSHDSACASA-N 1 2 271.773 1.975 20 30 CDEDLO C=CCNC(=O)C[NH+]1CCN(c2ccccc2C)CC1 ZINC000034685190 361339471 /nfs/dbraw/zinc/33/94/71/361339471.db2.gz LAKNCJDDYKCJRR-UHFFFAOYSA-N 1 2 273.380 1.419 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412043597 291277093 /nfs/dbraw/zinc/27/70/93/291277093.db2.gz VKSGPSKCUKWDPL-NILFDRSVSA-N 1 2 288.347 1.475 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412043597 291277097 /nfs/dbraw/zinc/27/70/97/291277097.db2.gz VKSGPSKCUKWDPL-NILFDRSVSA-N 1 2 288.347 1.475 20 30 CDEDLO C=CCOc1cc(OC)ccc1C(=O)N1CC[NH+](C)CC1 ZINC000351500681 361719615 /nfs/dbraw/zinc/71/96/15/361719615.db2.gz VAYFKMUXCXEDSB-UHFFFAOYSA-N 1 2 290.363 1.648 20 30 CDEDLO C#C[C@H](C)[NH2+]Cc1c(Br)c(C)nn1C ZINC000166704593 363996928 /nfs/dbraw/zinc/99/69/28/363996928.db2.gz QWWCGFSJFFLNCI-ZETCQYMHSA-N 1 2 256.147 1.602 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456196900 363990127 /nfs/dbraw/zinc/99/01/27/363990127.db2.gz DDZXUEAFSIQHIJ-GASCZTMLSA-N 1 2 299.374 1.460 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456196900 363990132 /nfs/dbraw/zinc/99/01/32/363990132.db2.gz DDZXUEAFSIQHIJ-GASCZTMLSA-N 1 2 299.374 1.460 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000490674603 364170525 /nfs/dbraw/zinc/17/05/25/364170525.db2.gz CFZYIYHTRIBNFO-GASCZTMLSA-N 1 2 260.381 1.734 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000490674603 364170532 /nfs/dbraw/zinc/17/05/32/364170532.db2.gz CFZYIYHTRIBNFO-GASCZTMLSA-N 1 2 260.381 1.734 20 30 CDEDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC1(C#N)CC1 ZINC000496764179 366852311 /nfs/dbraw/zinc/85/23/11/366852311.db2.gz QWSRZRMGKLYVKX-LBPRGKRZSA-N 1 2 265.357 1.891 20 30 CDEDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1CC1(C#N)CC1 ZINC000496764179 366852316 /nfs/dbraw/zinc/85/23/16/366852316.db2.gz QWSRZRMGKLYVKX-LBPRGKRZSA-N 1 2 265.357 1.891 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N(CCC)CCC)nn1 ZINC000640862841 364698741 /nfs/dbraw/zinc/69/87/41/364698741.db2.gz AZJFAHABPVKBSM-UHFFFAOYSA-N 1 2 291.399 1.040 20 30 CDEDLO CN1CC[N@H+](C)C[C@H]1c1noc(Cc2cccc(C#N)c2)n1 ZINC000545796877 364765744 /nfs/dbraw/zinc/76/57/44/364765744.db2.gz JWEPEKFCIXTPIX-AWEZNQCLSA-N 1 2 297.362 1.450 20 30 CDEDLO CN1CC[N@@H+](C)C[C@H]1c1noc(Cc2cccc(C#N)c2)n1 ZINC000545796877 364765751 /nfs/dbraw/zinc/76/57/51/364765751.db2.gz JWEPEKFCIXTPIX-AWEZNQCLSA-N 1 2 297.362 1.450 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N(C)Cc1[nH+]ccn1C ZINC000275490053 193056344 /nfs/dbraw/zinc/05/63/44/193056344.db2.gz QWULJESIRPMMTI-AWEZNQCLSA-N 1 2 265.357 1.607 20 30 CDEDLO C#CCOc1ccccc1C[NH2+]CN1CCC(=O)CC1 ZINC000275846436 193145860 /nfs/dbraw/zinc/14/58/60/193145860.db2.gz VLQAYAFUQUGRKY-UHFFFAOYSA-N 1 2 272.348 1.411 20 30 CDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCOc1ccccc1C#N ZINC000076018111 366949194 /nfs/dbraw/zinc/94/91/94/366949194.db2.gz QFQCIGRETDYMSW-MTJIALIYSA-N 1 2 292.404 1.778 20 30 CDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCOc1ccccc1C#N ZINC000076018111 366949199 /nfs/dbraw/zinc/94/91/99/366949199.db2.gz QFQCIGRETDYMSW-MTJIALIYSA-N 1 2 292.404 1.778 20 30 CDEDLO C[NH+]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000122459731 367024565 /nfs/dbraw/zinc/02/45/65/367024565.db2.gz MYYUYVHTHCBWLK-UHFFFAOYSA-N 1 2 263.728 1.599 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1[nH+]ccn1C ZINC000280610607 367457729 /nfs/dbraw/zinc/45/77/29/367457729.db2.gz AVVFBOUOGKBMSE-YPMHNXCESA-N 1 2 278.356 1.201 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@]1(C#N)CCOC1 ZINC000358455668 367696503 /nfs/dbraw/zinc/69/65/03/367696503.db2.gz XGLNFSMEBJMLHQ-OAHLLOKOSA-N 1 2 284.319 1.144 20 30 CDEDLO C=CCN1CC[C@H](N(C)Cc2cn3c([nH+]2)CCCC3)C1=O ZINC000375624092 370882341 /nfs/dbraw/zinc/88/23/41/370882341.db2.gz JUEJSXSGRIREJW-AWEZNQCLSA-N 1 2 288.395 1.438 20 30 CDEDLO N#Cc1cn(CCn2cc[nH+]c2)c2ccccc2c1=O ZINC000193489812 370877119 /nfs/dbraw/zinc/87/71/19/370877119.db2.gz WYIDZDOFRXEWPN-UHFFFAOYSA-N 1 2 264.288 1.770 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066539125 368355043 /nfs/dbraw/zinc/35/50/43/368355043.db2.gz PDLJUPUTTWLGPI-OAHLLOKOSA-N 1 2 277.389 1.617 20 30 CDEDLO C#CC[N@H+](Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066539125 368355047 /nfs/dbraw/zinc/35/50/47/368355047.db2.gz PDLJUPUTTWLGPI-OAHLLOKOSA-N 1 2 277.389 1.617 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@H]2COc3ccccc3O2)nn1 ZINC000630603741 369376439 /nfs/dbraw/zinc/37/64/39/369376439.db2.gz PEUUSUGPALUVQY-AWEZNQCLSA-N 1 2 298.346 1.231 20 30 CDEDLO C#CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000075558343 369423441 /nfs/dbraw/zinc/42/34/41/369423441.db2.gz AENXANSCBMPBOP-CQSZACIVSA-N 1 2 298.346 1.451 20 30 CDEDLO CCn1ncnc1C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000441341984 370108143 /nfs/dbraw/zinc/10/81/43/370108143.db2.gz WQKKYGBLECDUOM-UHFFFAOYSA-N 1 2 271.324 1.468 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(F)c(F)c1 ZINC000567694147 371105076 /nfs/dbraw/zinc/10/50/76/371105076.db2.gz JSZCLRQQTJWCPM-LLVKDONJSA-N 1 2 269.295 1.583 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(F)c(F)c1 ZINC000567694147 371105079 /nfs/dbraw/zinc/10/50/79/371105079.db2.gz JSZCLRQQTJWCPM-LLVKDONJSA-N 1 2 269.295 1.583 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1cccs1 ZINC000568181942 371208268 /nfs/dbraw/zinc/20/82/68/371208268.db2.gz DVKSYHFLUNASDO-SNVBAGLBSA-N 1 2 251.355 1.646 20 30 CDEDLO Cc1noc(C)c1CCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000568344493 371219050 /nfs/dbraw/zinc/21/90/50/371219050.db2.gz JNYQVICGUPDKNZ-AWEZNQCLSA-N 1 2 278.356 1.184 20 30 CDEDLO Cc1cc(C[N@@H+](C)Cc2nncn2C)ccc1C#N ZINC000347633371 372097512 /nfs/dbraw/zinc/09/75/12/372097512.db2.gz UIPWZSUIQYGYLP-UHFFFAOYSA-N 1 2 255.325 1.627 20 30 CDEDLO Cc1cc(C[N@H+](C)Cc2nncn2C)ccc1C#N ZINC000347633371 372097517 /nfs/dbraw/zinc/09/75/17/372097517.db2.gz UIPWZSUIQYGYLP-UHFFFAOYSA-N 1 2 255.325 1.627 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CCCC[C@H]2CO)c(C#N)c1C ZINC000050104281 372338904 /nfs/dbraw/zinc/33/89/04/372338904.db2.gz MKIMHQVPJHYOSH-LBPRGKRZSA-N 1 2 291.351 1.553 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CCCC[C@H]2CO)c(C#N)c1C ZINC000050104281 372338908 /nfs/dbraw/zinc/33/89/08/372338908.db2.gz MKIMHQVPJHYOSH-LBPRGKRZSA-N 1 2 291.351 1.553 20 30 CDEDLO Cc1cccc2c1O[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C2 ZINC000579243579 372555996 /nfs/dbraw/zinc/55/59/96/372555996.db2.gz COACYUORZKKWHK-CZUORRHYSA-N 1 2 287.363 1.259 20 30 CDEDLO CC[C@@H](C)n1nc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1C ZINC000578753799 372544972 /nfs/dbraw/zinc/54/49/72/372544972.db2.gz GTBNLQABVQQREK-IAQYHMDHSA-N 1 2 291.399 1.736 20 30 CDEDLO CC[N@H+](CC#Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000157420254 284376962 /nfs/dbraw/zinc/37/69/62/284376962.db2.gz LVCQRTGZSFYICW-HNNXBMFYSA-N 1 2 295.379 1.686 20 30 CDEDLO CC[N@@H+](CC#Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000157420254 284376964 /nfs/dbraw/zinc/37/69/64/284376964.db2.gz LVCQRTGZSFYICW-HNNXBMFYSA-N 1 2 295.379 1.686 20 30 CDEDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000360202668 374005510 /nfs/dbraw/zinc/00/55/10/374005510.db2.gz CSBSNRUCBSDYQL-LBPRGKRZSA-N 1 2 284.406 1.629 20 30 CDEDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000360202668 374005514 /nfs/dbraw/zinc/00/55/14/374005514.db2.gz CSBSNRUCBSDYQL-LBPRGKRZSA-N 1 2 284.406 1.629 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000342259798 374062362 /nfs/dbraw/zinc/06/23/62/374062362.db2.gz HWRHCJCTDFNMKT-ZNMIVQPWSA-N 1 2 296.411 1.289 20 30 CDEDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000350896019 374125100 /nfs/dbraw/zinc/12/51/00/374125100.db2.gz MHDWCJCMJNWNPP-RYUDHWBXSA-N 1 2 293.392 1.271 20 30 CDEDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000350896019 374125105 /nfs/dbraw/zinc/12/51/05/374125105.db2.gz MHDWCJCMJNWNPP-RYUDHWBXSA-N 1 2 293.392 1.271 20 30 CDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](O)C1 ZINC000114485563 374313661 /nfs/dbraw/zinc/31/36/61/374313661.db2.gz YUIZDYZVFFTYRP-LLVKDONJSA-N 1 2 279.727 1.217 20 30 CDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC000114485563 374313671 /nfs/dbraw/zinc/31/36/71/374313671.db2.gz YUIZDYZVFFTYRP-LLVKDONJSA-N 1 2 279.727 1.217 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000292777181 374313655 /nfs/dbraw/zinc/31/36/55/374313655.db2.gz LAMDJDYOGRNXCU-SNVBAGLBSA-N 1 2 284.406 1.486 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000292777181 374313665 /nfs/dbraw/zinc/31/36/65/374313665.db2.gz LAMDJDYOGRNXCU-SNVBAGLBSA-N 1 2 284.406 1.486 20 30 CDEDLO Cn1cc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)cc1C#N ZINC000373821414 374473906 /nfs/dbraw/zinc/47/39/06/374473906.db2.gz LMNQYKJORFORAR-LSDHHAIUSA-N 1 2 287.363 1.467 20 30 CDEDLO Cn1cc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)cc1C#N ZINC000373821414 374473912 /nfs/dbraw/zinc/47/39/12/374473912.db2.gz LMNQYKJORFORAR-LSDHHAIUSA-N 1 2 287.363 1.467 20 30 CDEDLO Cc1cc(C[N@@H+]2C[C@H]3CCS(=O)(=O)[C@H]3C2)ccc1C#N ZINC000352984153 374505035 /nfs/dbraw/zinc/50/50/35/374505035.db2.gz IQNPCVVVBGNSIJ-CABCVRRESA-N 1 2 290.388 1.486 20 30 CDEDLO Cc1cc(C[N@H+]2C[C@H]3CCS(=O)(=O)[C@H]3C2)ccc1C#N ZINC000352984153 374505043 /nfs/dbraw/zinc/50/50/43/374505043.db2.gz IQNPCVVVBGNSIJ-CABCVRRESA-N 1 2 290.388 1.486 20 30 CDEDLO N#Cc1cccc(NC(=O)COCc2[nH]cc[nH+]2)c1 ZINC000123779650 374698346 /nfs/dbraw/zinc/69/83/46/374698346.db2.gz HSXCTLPRTORTBG-UHFFFAOYSA-N 1 2 256.265 1.437 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000289485436 197370509 /nfs/dbraw/zinc/37/05/09/197370509.db2.gz BDXZWTVMALXGSS-OAHLLOKOSA-N 1 2 277.389 1.677 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000289485436 197370510 /nfs/dbraw/zinc/37/05/10/197370510.db2.gz BDXZWTVMALXGSS-OAHLLOKOSA-N 1 2 277.389 1.677 20 30 CDEDLO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1nnc2n1CCCC2 ZINC000331581987 374974271 /nfs/dbraw/zinc/97/42/71/374974271.db2.gz AAHUPHHFDXHOTC-NSHDSACASA-N 1 2 284.367 1.675 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000282210145 375071594 /nfs/dbraw/zinc/07/15/94/375071594.db2.gz OIGXBIAMYVMOPO-BXUZGUMPSA-N 1 2 278.377 1.738 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000282210145 375071599 /nfs/dbraw/zinc/07/15/99/375071599.db2.gz OIGXBIAMYVMOPO-BXUZGUMPSA-N 1 2 278.377 1.738 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H]([C@H](C)O)C2)c(C#N)c1C ZINC000228167141 375706200 /nfs/dbraw/zinc/70/62/00/375706200.db2.gz YKPIDRAGAUMALE-CMPLNLGQSA-N 1 2 291.351 1.409 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c(C#N)c1C ZINC000228167141 375706204 /nfs/dbraw/zinc/70/62/04/375706204.db2.gz YKPIDRAGAUMALE-CMPLNLGQSA-N 1 2 291.351 1.409 20 30 CDEDLO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000353635547 375738941 /nfs/dbraw/zinc/73/89/41/375738941.db2.gz BGIYKXCKTRZYJY-NSHDSACASA-N 1 2 298.433 1.876 20 30 CDEDLO CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000353635547 375738945 /nfs/dbraw/zinc/73/89/45/375738945.db2.gz BGIYKXCKTRZYJY-NSHDSACASA-N 1 2 298.433 1.876 20 30 CDEDLO C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)S(=O)(=O)C1CC1 ZINC000328797658 375973588 /nfs/dbraw/zinc/97/35/88/375973588.db2.gz FIYMNUGBTRAQPR-SNVBAGLBSA-N 1 2 288.413 1.393 20 30 CDEDLO C[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)S(=O)(=O)C1CC1 ZINC000328797658 375973593 /nfs/dbraw/zinc/97/35/93/375973593.db2.gz FIYMNUGBTRAQPR-SNVBAGLBSA-N 1 2 288.413 1.393 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000195520382 376002909 /nfs/dbraw/zinc/00/29/09/376002909.db2.gz UEIYGDLRMMTVFB-KBPBESRZSA-N 1 2 298.394 1.847 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000195520382 376002914 /nfs/dbraw/zinc/00/29/14/376002914.db2.gz UEIYGDLRMMTVFB-KBPBESRZSA-N 1 2 298.394 1.847 20 30 CDEDLO C[C@@H]1OCC[C@]1(C)NC(=O)CCc1c[nH+]cn1C ZINC000328841318 375982527 /nfs/dbraw/zinc/98/25/27/375982527.db2.gz ORDYLLISVPBHSK-GWCFXTLKSA-N 1 2 251.330 1.877 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNC(=O)NCC2(C#N)CCC2)CCO1 ZINC000419650647 376149910 /nfs/dbraw/zinc/14/99/10/376149910.db2.gz VHTKKPPDMOQEGT-CYBMUJFWSA-N 1 2 294.399 1.090 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)NCC2(C#N)CCC2)CCO1 ZINC000419650647 376149916 /nfs/dbraw/zinc/14/99/16/376149916.db2.gz VHTKKPPDMOQEGT-CYBMUJFWSA-N 1 2 294.399 1.090 20 30 CDEDLO CC(C)c1noc([C@@H](C)[N@H+](C)CCNC(=O)N(C)C)n1 ZINC000330628254 376296255 /nfs/dbraw/zinc/29/62/55/376296255.db2.gz YOAKAFMLMKAQJZ-SNVBAGLBSA-N 1 2 283.376 1.661 20 30 CDEDLO CC(C)c1noc([C@@H](C)[N@@H+](C)CCNC(=O)N(C)C)n1 ZINC000330628254 376296258 /nfs/dbraw/zinc/29/62/58/376296258.db2.gz YOAKAFMLMKAQJZ-SNVBAGLBSA-N 1 2 283.376 1.661 20 30 CDEDLO Cc1cccc(C[N@H+](C)CC(=O)NC(=O)NC(C)(C)C)n1 ZINC000331001217 376438209 /nfs/dbraw/zinc/43/82/09/376438209.db2.gz WXKUIKDMIFTKRV-UHFFFAOYSA-N 1 2 292.383 1.651 20 30 CDEDLO Cc1cccc(C[N@@H+](C)CC(=O)NC(=O)NC(C)(C)C)n1 ZINC000331001217 376438215 /nfs/dbraw/zinc/43/82/15/376438215.db2.gz WXKUIKDMIFTKRV-UHFFFAOYSA-N 1 2 292.383 1.651 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)c1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000264250125 190099823 /nfs/dbraw/zinc/09/98/23/190099823.db2.gz KUZCRWNMFLTZEJ-QWHCGFSZSA-N 1 2 287.363 1.397 20 30 CDEDLO CN1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2F)C1=O ZINC000265648248 190196670 /nfs/dbraw/zinc/19/66/70/190196670.db2.gz NBRVWHRSKYDEID-ZDUSSCGKSA-N 1 2 261.300 1.360 20 30 CDEDLO CN1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1=O ZINC000265648248 190196671 /nfs/dbraw/zinc/19/66/71/190196671.db2.gz NBRVWHRSKYDEID-ZDUSSCGKSA-N 1 2 261.300 1.360 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000131603841 377684696 /nfs/dbraw/zinc/68/46/96/377684696.db2.gz DTVBWFHCNMIZBG-CQSZACIVSA-N 1 2 279.428 1.507 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(CC)CC(=C)C)C1=O ZINC000281458296 378005735 /nfs/dbraw/zinc/00/57/35/378005735.db2.gz VDYXQSCWQUDLTH-CQSZACIVSA-N 1 2 293.411 1.130 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(CC)CC(=C)C)C1=O ZINC000281458296 378005738 /nfs/dbraw/zinc/00/57/38/378005738.db2.gz VDYXQSCWQUDLTH-CQSZACIVSA-N 1 2 293.411 1.130 20 30 CDEDLO C=CCCN(C)c1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000286801897 378239898 /nfs/dbraw/zinc/23/98/98/378239898.db2.gz WPRFQYOAODGRFM-UHFFFAOYSA-N 1 2 280.376 1.108 20 30 CDEDLO C=CCCN(C)c1nc(NC(C)C)nc(NCCO)[nH+]1 ZINC000286801897 378239908 /nfs/dbraw/zinc/23/99/08/378239908.db2.gz WPRFQYOAODGRFM-UHFFFAOYSA-N 1 2 280.376 1.108 20 30 CDEDLO C=CCCN(C)c1nc(NCCO)nc(NC(C)C)[nH+]1 ZINC000286801897 378239914 /nfs/dbraw/zinc/23/99/14/378239914.db2.gz WPRFQYOAODGRFM-UHFFFAOYSA-N 1 2 280.376 1.108 20 30 CDEDLO C#CC[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000136105317 378312417 /nfs/dbraw/zinc/31/24/17/378312417.db2.gz DIYJVZUSPPJINW-UHFFFAOYSA-N 1 2 291.782 1.529 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1cc(F)ccc1F ZINC000563852020 378317066 /nfs/dbraw/zinc/31/70/66/378317066.db2.gz AMHSLJLJXBHGGR-OAHLLOKOSA-N 1 2 295.333 1.857 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCc1cn2ccccc2[nH+]1 ZINC000289624575 378329352 /nfs/dbraw/zinc/32/93/52/378329352.db2.gz VIZCUDBHUMHZNM-AWEZNQCLSA-N 1 2 259.309 1.278 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000290499355 378380455 /nfs/dbraw/zinc/38/04/55/378380455.db2.gz MFFFFSYHWXKPIL-IPYPFGDCSA-N 1 2 277.368 1.620 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000293332230 378557377 /nfs/dbraw/zinc/55/73/77/378557377.db2.gz YFFQUNDEMJGXBV-UHFFFAOYSA-N 1 2 287.319 1.439 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000293332230 378557385 /nfs/dbraw/zinc/55/73/85/378557385.db2.gz YFFQUNDEMJGXBV-UHFFFAOYSA-N 1 2 287.319 1.439 20 30 CDEDLO COc1cc(C[N@H+](C)Cc2ccnn2C)ccc1C#N ZINC000443059137 250005899 /nfs/dbraw/zinc/00/58/99/250005899.db2.gz BJQNATCFNADWBC-UHFFFAOYSA-N 1 2 270.336 1.932 20 30 CDEDLO COc1cc(C[N@@H+](C)Cc2ccnn2C)ccc1C#N ZINC000443059137 250005902 /nfs/dbraw/zinc/00/59/02/250005902.db2.gz BJQNATCFNADWBC-UHFFFAOYSA-N 1 2 270.336 1.932 20 30 CDEDLO C#CCn1ccc(CN(CC)c2cc[nH+]c(C)n2)n1 ZINC000278610294 194068472 /nfs/dbraw/zinc/06/84/72/194068472.db2.gz FVXJNKIBLWCMTM-UHFFFAOYSA-N 1 2 255.325 1.641 20 30 CDEDLO CC[C@H](CC#N)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000343862735 379009721 /nfs/dbraw/zinc/00/97/21/379009721.db2.gz HVQBBYDZRCRYDQ-LLVKDONJSA-N 1 2 273.327 1.772 20 30 CDEDLO N#Cc1nnc2ccccc2c1NCC[NH+]1CCOCC1 ZINC000041531974 379392277 /nfs/dbraw/zinc/39/22/77/379392277.db2.gz 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ZINC000267744577 190351699 /nfs/dbraw/zinc/35/16/99/190351699.db2.gz ZUPLKSBBZRHIGF-DZGCQCFKSA-N 1 2 288.347 1.477 20 30 CDEDLO COc1cc(Cl)cc(C[NH+]2CCN(CC#N)CC2)c1O ZINC000184687105 262026310 /nfs/dbraw/zinc/02/63/10/262026310.db2.gz WXVLQULYFMPVQN-UHFFFAOYSA-N 1 2 295.770 1.695 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOCC1(C)C ZINC000066423857 285038198 /nfs/dbraw/zinc/03/81/98/285038198.db2.gz ZTYYGZPLUQJDFX-GFCCVEGCSA-N 1 2 267.373 1.105 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOCC1(C)C ZINC000066423857 285038201 /nfs/dbraw/zinc/03/82/01/285038201.db2.gz ZTYYGZPLUQJDFX-GFCCVEGCSA-N 1 2 267.373 1.105 20 30 CDEDLO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2nnc(C)s2)C1=O ZINC000280988642 195058987 /nfs/dbraw/zinc/05/89/87/195058987.db2.gz IXFQTQYBHKDCME-WCBMZHEXSA-N 1 2 266.370 1.284 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1cccc(C#N)c1 ZINC000491188065 253066236 /nfs/dbraw/zinc/06/62/36/253066236.db2.gz WBGABXJMYCNLEG-URWSZGRFSA-N 1 2 280.331 1.973 20 30 CDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)/C=C\c3cccc(C#N)c3)C[C@H]21 ZINC000492128378 253160774 /nfs/dbraw/zinc/16/07/74/253160774.db2.gz FBZUNHSOUFLWHH-ILNYKDOHSA-N 1 2 297.358 1.113 20 30 CDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)/C=C\c3cccc(C#N)c3)C[C@H]21 ZINC000492128378 253160775 /nfs/dbraw/zinc/16/07/75/253160775.db2.gz FBZUNHSOUFLWHH-ILNYKDOHSA-N 1 2 297.358 1.113 20 30 CDEDLO N#Cc1cccc(/C=C\C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000492693036 253273867 /nfs/dbraw/zinc/27/38/67/253273867.db2.gz WQTCKOVEJJPQFU-XVWMLYKFSA-N 1 2 292.342 1.899 20 30 CDEDLO COC(=O)N1CCC(Nc2cc(C)[nH+]cc2C#N)CC1 ZINC000497161261 254028535 /nfs/dbraw/zinc/02/85/35/254028535.db2.gz KSXUMBABDCOECP-UHFFFAOYSA-N 1 2 274.324 1.326 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1ccccn1 ZINC000414100707 413011577 /nfs/dbraw/zinc/01/15/77/413011577.db2.gz SKBIEVPKHCJJIG-LLVKDONJSA-N 1 2 251.355 1.380 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1ccccn1 ZINC000414100707 413011582 /nfs/dbraw/zinc/01/15/82/413011582.db2.gz SKBIEVPKHCJJIG-LLVKDONJSA-N 1 2 251.355 1.380 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]([C@H](C)C(=O)OC)C2CCC2)C1=O ZINC000281304045 195188923 /nfs/dbraw/zinc/18/89/23/195188923.db2.gz KEFMAOFYUKLUMG-YPMHNXCESA-N 1 2 280.368 1.189 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]([C@H](C)C(=O)OC)C2CCC2)C1=O ZINC000281304045 195188926 /nfs/dbraw/zinc/18/89/26/195188926.db2.gz KEFMAOFYUKLUMG-YPMHNXCESA-N 1 2 280.368 1.189 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000281466873 195252200 /nfs/dbraw/zinc/25/22/00/195252200.db2.gz PFSOBBRGUXNPAL-GXTWGEPZSA-N 1 2 263.341 1.371 20 30 CDEDLO O=C1CCC(=O)N1CCC/[NH+]=C/c1ccccc1O ZINC000105935514 390523992 /nfs/dbraw/zinc/52/39/92/390523992.db2.gz KKAQCKAIYINRJH-XNTDXEJSSA-N 1 2 260.293 1.350 20 30 CDEDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CO[NH+]=C(N)CCO ZINC000136073598 390940967 /nfs/dbraw/zinc/94/09/67/390940967.db2.gz ZDVHAVGLCZAFPT-UHFFFAOYSA-N 1 2 297.311 1.553 20 30 CDEDLO NC(CCO)=[NH+]OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000136063440 390940982 /nfs/dbraw/zinc/94/09/82/390940982.db2.gz 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/nfs/dbraw/zinc/00/03/53/391000353.db2.gz FYANXIOHXLRAKV-GHMZBOCLSA-N 1 2 274.386 1.004 20 30 CDEDLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@H](O)c1ccc(C#N)cc1 ZINC000155985622 391132057 /nfs/dbraw/zinc/13/20/57/391132057.db2.gz XMUHTPAWZQOLCP-AWEZNQCLSA-N 1 2 290.363 1.865 20 30 CDEDLO C[N@H+](CC(=O)OC(C)(C)C)C[C@H](O)c1ccc(C#N)cc1 ZINC000155985622 391132061 /nfs/dbraw/zinc/13/20/61/391132061.db2.gz XMUHTPAWZQOLCP-AWEZNQCLSA-N 1 2 290.363 1.865 20 30 CDEDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000265667564 391160555 /nfs/dbraw/zinc/16/05/55/391160555.db2.gz YUVFFCNSNRIBFC-VFGMZZLHSA-N 1 2 292.404 1.930 20 30 CDEDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000265667564 391160559 /nfs/dbraw/zinc/16/05/59/391160559.db2.gz YUVFFCNSNRIBFC-VFGMZZLHSA-N 1 2 292.404 1.930 20 30 CDEDLO Cc1nc(CC(N)=[NH+]O[C@H]2CCN(C(C)C)C2=O)cs1 ZINC000177560227 391171439 /nfs/dbraw/zinc/17/14/39/391171439.db2.gz RYMOIGCZXROBJS-NSHDSACASA-N 1 2 296.396 1.292 20 30 CDEDLO Cn1cc(N2CC[N@H+](CCCC(C)(C)C#N)CC2=O)cn1 ZINC000177436460 391169317 /nfs/dbraw/zinc/16/93/17/391169317.db2.gz CQJWCEFCCGCPSM-UHFFFAOYSA-N 1 2 289.383 1.399 20 30 CDEDLO Cn1cc(N2CC[N@@H+](CCCC(C)(C)C#N)CC2=O)cn1 ZINC000177436460 391169321 /nfs/dbraw/zinc/16/93/21/391169321.db2.gz CQJWCEFCCGCPSM-UHFFFAOYSA-N 1 2 289.383 1.399 20 30 CDEDLO CN1CC[N@H+](Cc2ccc(OCC#N)cc2)C(C)(C)C1=O ZINC000268051586 391209452 /nfs/dbraw/zinc/20/94/52/391209452.db2.gz VNZQNSAXFIODDI-UHFFFAOYSA-N 1 2 287.363 1.642 20 30 CDEDLO CN1CC[N@@H+](Cc2ccc(OCC#N)cc2)C(C)(C)C1=O ZINC000268051586 391209455 /nfs/dbraw/zinc/20/94/55/391209455.db2.gz VNZQNSAXFIODDI-UHFFFAOYSA-N 1 2 287.363 1.642 20 30 CDEDLO C=C(C)[C@H](CC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)OCC ZINC000339221712 391271314 /nfs/dbraw/zinc/27/13/14/391271314.db2.gz JZJARITXWMPPIP-GJZGRUSLSA-N 1 2 296.411 1.337 20 30 CDEDLO C=C(C)[C@H](CC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)OCC ZINC000339221712 391271318 /nfs/dbraw/zinc/27/13/18/391271318.db2.gz JZJARITXWMPPIP-GJZGRUSLSA-N 1 2 296.411 1.337 20 30 CDEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)[C@H](C)C#N)c1C ZINC000416379962 391281505 /nfs/dbraw/zinc/28/15/05/391281505.db2.gz BXMGPZIALLTHBU-SNVBAGLBSA-N 1 2 297.380 1.381 20 30 CDEDLO Cc1ccc(C#N)c(N2CCN(Cc3[nH]cc[nH+]3)CC2)n1 ZINC000346841600 391326742 /nfs/dbraw/zinc/32/67/42/391326742.db2.gz UIEYISUAYXOQBK-UHFFFAOYSA-N 1 2 282.351 1.307 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCc2cc(OCC)ccc2C1 ZINC000441109789 391328668 /nfs/dbraw/zinc/32/86/68/391328668.db2.gz YALWMTSEDURFMA-UHFFFAOYSA-N 1 2 274.364 1.746 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCc2cc(OCC)ccc2C1 ZINC000441109789 391328670 /nfs/dbraw/zinc/32/86/70/391328670.db2.gz YALWMTSEDURFMA-UHFFFAOYSA-N 1 2 274.364 1.746 20 30 CDEDLO CCc1nc([C@H](C)NC(=O)[C@H](C)N2CC[NH+](C)CC2)n[nH]1 ZINC000328918942 391394132 /nfs/dbraw/zinc/39/41/32/391394132.db2.gz ALYKXLPPQLETGZ-QWRGUYRKSA-N 1 2 294.403 1.021 20 30 CDEDLO Cc1ccc(F)cc1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000330455226 391424472 /nfs/dbraw/zinc/42/44/72/391424472.db2.gz MYTRKYZQLIUIQH-ZDUSSCGKSA-N 1 2 296.342 1.132 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090009369 391621644 /nfs/dbraw/zinc/62/16/44/391621644.db2.gz MLYVYULEGUKGLJ-HIFRSBDPSA-N 1 2 279.384 1.152 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000090009369 391621646 /nfs/dbraw/zinc/62/16/46/391621646.db2.gz MLYVYULEGUKGLJ-HIFRSBDPSA-N 1 2 279.384 1.152 20 30 CDEDLO C#CC[N@@H+](CCCS(C)(=O)=O)Cc1ccccc1 ZINC000285533836 391717538 /nfs/dbraw/zinc/71/75/38/391717538.db2.gz FOIBTYYDPKWOQT-UHFFFAOYSA-N 1 2 265.378 1.557 20 30 CDEDLO C#CC[N@H+](CCCS(C)(=O)=O)Cc1ccccc1 ZINC000285533836 391717541 /nfs/dbraw/zinc/71/75/41/391717541.db2.gz FOIBTYYDPKWOQT-UHFFFAOYSA-N 1 2 265.378 1.557 20 30 CDEDLO N#CC1(F)CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413281990 391724754 /nfs/dbraw/zinc/72/47/54/391724754.db2.gz OJYRMHBFCRMHAO-UHFFFAOYSA-N 1 2 261.304 1.883 20 30 CDEDLO N#CC1(F)CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000413281990 391724755 /nfs/dbraw/zinc/72/47/55/391724755.db2.gz OJYRMHBFCRMHAO-UHFFFAOYSA-N 1 2 261.304 1.883 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)C1 ZINC000329778360 391776696 /nfs/dbraw/zinc/77/66/96/391776696.db2.gz QAEJPBQOMGRDQV-GBJTYRQASA-N 1 2 295.427 1.789 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)C1 ZINC000329778360 391776701 /nfs/dbraw/zinc/77/67/01/391776701.db2.gz QAEJPBQOMGRDQV-GBJTYRQASA-N 1 2 295.427 1.789 20 30 CDEDLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCN2C(=O)CC[C@@H]2C1 ZINC000329779005 391777658 /nfs/dbraw/zinc/77/76/58/391777658.db2.gz LOHHDXHLHPMGTP-GFCCVEGCSA-N 1 2 299.334 1.186 20 30 CDEDLO C[C@H](NC(=O)N1CCn2cc[nH+]c2C1)c1cnn(C)c1 ZINC000329822836 391785879 /nfs/dbraw/zinc/78/58/79/391785879.db2.gz ZFYXZYDUZZRBEO-JTQLQIEISA-N 1 2 274.328 1.107 20 30 CDEDLO C[C@@H]1C[C@@H](C(=O)NCC2([NH+]3CCOCC3)CC2)CCO1 ZINC000329900680 391796798 /nfs/dbraw/zinc/79/67/98/391796798.db2.gz GHZVXQSWYGAUBR-OLZOCXBDSA-N 1 2 282.384 1.623 20 30 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393029327 /nfs/dbraw/zinc/02/93/27/393029327.db2.gz ICIAPEPKNCVBBR-ZDUSSCGKSA-N 1 2 258.325 1.006 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000279721742 393147650 /nfs/dbraw/zinc/14/76/50/393147650.db2.gz IXIVFFWJPMDTIQ-UONOGXRCSA-N 1 2 288.347 1.475 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000279721742 393147657 /nfs/dbraw/zinc/14/76/57/393147657.db2.gz IXIVFFWJPMDTIQ-UONOGXRCSA-N 1 2 288.347 1.475 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000195530310 393272786 /nfs/dbraw/zinc/27/27/86/393272786.db2.gz SKBOIZIHVYFVSF-MELADBBJSA-N 1 2 279.384 1.248 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000195530310 393272790 /nfs/dbraw/zinc/27/27/90/393272790.db2.gz SKBOIZIHVYFVSF-MELADBBJSA-N 1 2 279.384 1.248 20 30 CDEDLO CN(C)c1noc(C[NH2+]Cc2cc(C#N)cs2)n1 ZINC000191899760 140138345 /nfs/dbraw/zinc/13/83/45/140138345.db2.gz PFJDSTKJRLBKBU-UHFFFAOYSA-N 1 2 263.326 1.359 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000120549240 286191963 /nfs/dbraw/zinc/19/19/63/286191963.db2.gz DPSPANNVSNMUTG-CYBMUJFWSA-N 1 2 294.376 1.186 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000120549240 286191964 /nfs/dbraw/zinc/19/19/64/286191964.db2.gz DPSPANNVSNMUTG-CYBMUJFWSA-N 1 2 294.376 1.186 20 30 CDEDLO CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000336221806 151370956 /nfs/dbraw/zinc/37/09/56/151370956.db2.gz QDEXXMKJLPZAEE-ZDUSSCGKSA-N 1 2 258.325 1.062 20 30 CDEDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000336221806 151370957 /nfs/dbraw/zinc/37/09/57/151370957.db2.gz QDEXXMKJLPZAEE-ZDUSSCGKSA-N 1 2 258.325 1.062 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352661400 155333145 /nfs/dbraw/zinc/33/31/45/155333145.db2.gz SPZRDBGPAXKNPO-ZNMIVQPWSA-N 1 2 288.347 1.618 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000352661400 155333147 /nfs/dbraw/zinc/33/31/47/155333147.db2.gz 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ZINC000371186866 287200756 /nfs/dbraw/zinc/20/07/56/287200756.db2.gz ZRVAPVUEOIXKLJ-SNVBAGLBSA-N 1 2 261.300 1.408 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000284753759 196124401 /nfs/dbraw/zinc/12/44/01/196124401.db2.gz VVUOLYISPDYENP-BBWFWOEESA-N 1 2 286.375 1.920 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000284753759 196124403 /nfs/dbraw/zinc/12/44/03/196124403.db2.gz VVUOLYISPDYENP-BBWFWOEESA-N 1 2 286.375 1.920 20 30 CDEDLO C=CC[N@H+](CC(=O)Nc1cc(C)on1)[C@@H](C)COC ZINC000661247758 413920881 /nfs/dbraw/zinc/92/08/81/413920881.db2.gz QUWSXKBHVAAMLY-JTQLQIEISA-N 1 2 267.329 1.444 20 30 CDEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)on1)[C@@H](C)COC ZINC000661247758 413920891 /nfs/dbraw/zinc/92/08/91/413920891.db2.gz QUWSXKBHVAAMLY-JTQLQIEISA-N 1 2 267.329 1.444 20 30 CDEDLO C=CC[N@H+](Cc1ncnn1C(C)C)[C@H](C)COC ZINC000661240885 413911353 /nfs/dbraw/zinc/91/13/53/413911353.db2.gz SOUOGHLXQKMKGT-GFCCVEGCSA-N 1 2 252.362 1.882 20 30 CDEDLO C=CC[N@@H+](Cc1ncnn1C(C)C)[C@H](C)COC ZINC000661240885 413911363 /nfs/dbraw/zinc/91/13/63/413911363.db2.gz SOUOGHLXQKMKGT-GFCCVEGCSA-N 1 2 252.362 1.882 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)[C@@H]2COC[C@H]2O)c1C ZINC000285603235 196340534 /nfs/dbraw/zinc/34/05/34/196340534.db2.gz PPHYVMUIXYBEHV-GDBMZVCRSA-N 1 2 292.379 1.165 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@@H]2COC[C@H]2O)c1C ZINC000285603235 196340535 /nfs/dbraw/zinc/34/05/35/196340535.db2.gz PPHYVMUIXYBEHV-GDBMZVCRSA-N 1 2 292.379 1.165 20 30 CDEDLO CN(CC#N)C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000072072173 176312629 /nfs/dbraw/zinc/31/26/29/176312629.db2.gz JFIFDUKDVFITLO-AWEZNQCLSA-N 1 2 289.404 1.758 20 30 CDEDLO C[C@H](C[NH+]1CCN(C)CC1)Nc1ncccc1C#N ZINC000078543731 177352367 /nfs/dbraw/zinc/35/23/67/177352367.db2.gz GIJNYNVGTMJETC-GFCCVEGCSA-N 1 2 259.357 1.001 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000347047399 226028708 /nfs/dbraw/zinc/02/87/08/226028708.db2.gz KUNYBJMEOCXQRU-CYBMUJFWSA-N 1 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/nfs/dbraw/zinc/23/58/92/260235892.db2.gz SBXRZKYNFLQJBR-UHFFFAOYSA-N 1 2 272.396 1.990 20 30 CDEDLO CC1(C)C[N@@H+](CC2(C#N)CC2)CCN1CC1(C#N)CC1 ZINC000408110601 260235894 /nfs/dbraw/zinc/23/58/94/260235894.db2.gz SBXRZKYNFLQJBR-UHFFFAOYSA-N 1 2 272.396 1.990 20 30 CDEDLO CC1(C)CN(CC2(C#N)CC2)CC[N@@H+]1CC1(C#N)CC1 ZINC000408110601 260235896 /nfs/dbraw/zinc/23/58/96/260235896.db2.gz SBXRZKYNFLQJBR-UHFFFAOYSA-N 1 2 272.396 1.990 20 30 CDEDLO CC1(C)CN(CC2(C#N)CC2)CC[N@H+]1CC1(C#N)CC1 ZINC000408110601 260235897 /nfs/dbraw/zinc/23/58/97/260235897.db2.gz SBXRZKYNFLQJBR-UHFFFAOYSA-N 1 2 272.396 1.990 20 30 CDEDLO Cc1nc(CC(N)=[NH+]OCc2noc(C(C)C)n2)cs1 ZINC000067098566 260250941 /nfs/dbraw/zinc/25/09/41/260250941.db2.gz IAXOWGNJCYIPNZ-UHFFFAOYSA-N 1 2 295.368 1.989 20 30 CDEDLO COCC[N@H+](CCC#N)Cc1ccc2c(c1)OCO2 ZINC000111692905 260658590 /nfs/dbraw/zinc/65/85/90/260658590.db2.gz RSHMAGXIYUFIBO-UHFFFAOYSA-N 1 2 262.309 1.777 20 30 CDEDLO COCC[N@@H+](CCC#N)Cc1ccc2c(c1)OCO2 ZINC000111692905 260658592 /nfs/dbraw/zinc/65/85/92/260658592.db2.gz RSHMAGXIYUFIBO-UHFFFAOYSA-N 1 2 262.309 1.777 20 30 CDEDLO CC(C)c1cccc(NC(=O)CO[NH+]=C(N)CCO)c1 ZINC000121404125 260709910 /nfs/dbraw/zinc/70/99/10/260709910.db2.gz LTBLTPIJVOOYCU-UHFFFAOYSA-N 1 2 279.340 1.420 20 30 CDEDLO C#CC[N@@H+](C[C@H](O)CC1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000490742497 261198252 /nfs/dbraw/zinc/19/82/52/261198252.db2.gz YHXNAXBYYZDTAR-LSDHHAIUSA-N 1 2 299.436 1.050 20 30 CDEDLO C#CC[N@H+](C[C@H](O)CC1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000490742497 261198253 /nfs/dbraw/zinc/19/82/53/261198253.db2.gz YHXNAXBYYZDTAR-LSDHHAIUSA-N 1 2 299.436 1.050 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000490851904 261228240 /nfs/dbraw/zinc/22/82/40/261228240.db2.gz IUWMAACWIHFYDV-KRWDZBQOSA-N 1 2 280.371 1.749 20 30 CDEDLO O=C(NCC[NH+]1CCCCC1)[C@H]1CCCCS1(=O)=O ZINC000329371285 262267553 /nfs/dbraw/zinc/26/75/53/262267553.db2.gz AWYZXQCWDWKRBM-GFCCVEGCSA-N 1 2 288.413 1.396 20 30 CDEDLO N#CC1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000277477251 263041523 /nfs/dbraw/zinc/04/15/23/263041523.db2.gz PJVPTTHDKWDUGG-UHFFFAOYSA-N 1 2 289.408 1.770 20 30 CDEDLO N#CC1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000277477251 263041524 /nfs/dbraw/zinc/04/15/24/263041524.db2.gz PJVPTTHDKWDUGG-UHFFFAOYSA-N 1 2 289.408 1.770 20 30 CDEDLO CCOCC[C@@H](O)C[N@H+](CCC#N)Cc1ccccn1 ZINC000277672681 263042845 /nfs/dbraw/zinc/04/28/45/263042845.db2.gz JXBZPUXFBVFVAW-OAHLLOKOSA-N 1 2 277.368 1.585 20 30 CDEDLO CCOCC[C@@H](O)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000277672681 263042846 /nfs/dbraw/zinc/04/28/46/263042846.db2.gz JXBZPUXFBVFVAW-OAHLLOKOSA-N 1 2 277.368 1.585 20 30 CDEDLO CO[C@H](CO[NH+]=C(N)[C@@H]1CCCO1)c1ccccc1 ZINC000283939667 263084972 /nfs/dbraw/zinc/08/49/72/263084972.db2.gz FKRBUFTZDQKRMB-QWHCGFSZSA-N 1 2 264.325 1.842 20 30 CDEDLO NC(=[NH+]OCC(=O)Nc1ccccc1)[C@@H]1CCCO1 ZINC000284494800 263087142 /nfs/dbraw/zinc/08/71/42/263087142.db2.gz SOUVYBKPHLNXOO-NSHDSACASA-N 1 2 263.297 1.093 20 30 CDEDLO C#CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000285876754 263096263 /nfs/dbraw/zinc/09/62/63/263096263.db2.gz YLAITKODDTXHFB-GOSISDBHSA-N 1 2 295.386 1.930 20 30 CDEDLO C#CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000285876754 263096264 /nfs/dbraw/zinc/09/62/64/263096264.db2.gz YLAITKODDTXHFB-GOSISDBHSA-N 1 2 295.386 1.930 20 30 CDEDLO C=CC[C@H](CO)C[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000340318675 263110502 /nfs/dbraw/zinc/11/05/02/263110502.db2.gz WFHLOJIPZFMFCA-AAEUAGOBSA-N 1 2 273.340 1.063 20 30 CDEDLO C=CC[N@@H+](C)Cc1nnc2n1c1ccc(C)cc1c(=O)n2C ZINC000121339990 263291745 /nfs/dbraw/zinc/29/17/45/263291745.db2.gz HIZFPSTUFNXEID-UHFFFAOYSA-N 1 2 297.362 1.507 20 30 CDEDLO C=CC[N@H+](C)Cc1nnc2n1c1ccc(C)cc1c(=O)n2C ZINC000121339990 263291748 /nfs/dbraw/zinc/29/17/48/263291748.db2.gz HIZFPSTUFNXEID-UHFFFAOYSA-N 1 2 297.362 1.507 20 30 CDEDLO COCC1(C#N)CC[NH+]([C@H](C)c2nnnn2C2CC2)CC1 ZINC000341982025 263369984 /nfs/dbraw/zinc/36/99/84/263369984.db2.gz CRNYIXZFGWKEAK-LLVKDONJSA-N 1 2 290.371 1.321 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2ccoc2C(=O)OC)CC1 ZINC000341968259 263372126 /nfs/dbraw/zinc/37/21/26/263372126.db2.gz AQYKOLDRGDQUJN-UHFFFAOYSA-N 1 2 292.335 1.818 20 30 CDEDLO CN(C)c1ccc(CNC(=O)NC[C@H](O)C(C)(C)C)c[nH+]1 ZINC000330830365 264049818 /nfs/dbraw/zinc/04/98/18/264049818.db2.gz RXHIPWXQQPQTEZ-LBPRGKRZSA-N 1 2 294.399 1.558 20 30 CDEDLO CCNC(=O)CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331317585 264188264 /nfs/dbraw/zinc/18/82/64/264188264.db2.gz JSSXRQZAVSZLHZ-UHFFFAOYSA-N 1 2 264.329 1.469 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1C ZINC000356752046 266168634 /nfs/dbraw/zinc/16/86/34/266168634.db2.gz OOUCSRJRJBJDEH-KFWWJZLASA-N 1 2 296.411 1.289 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C ZINC000356810614 266178347 /nfs/dbraw/zinc/17/83/47/266178347.db2.gz GEFYZFACFHLQEZ-KBPBESRZSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(CC)C[NH+]1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000358494468 266469482 /nfs/dbraw/zinc/46/94/82/266469482.db2.gz CKEZLEMNLQRNDN-UHFFFAOYSA-N 1 2 295.408 1.354 20 30 CDEDLO COC(=O)CN(CC#N)CCc1[nH+]c2ccccc2n1C ZINC000362233224 266948787 /nfs/dbraw/zinc/94/87/87/266948787.db2.gz KCTONDAFVYKIFT-UHFFFAOYSA-N 1 2 286.335 1.114 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C2(C#N)CCC2)C1 ZINC000369353226 267237677 /nfs/dbraw/zinc/23/76/77/267237677.db2.gz MTWGESICAIOQJC-GFCCVEGCSA-N 1 2 272.352 1.820 20 30 CDEDLO Cc1cc(N[C@H](C)CC[S@](C)=O)c(C#N)c[nH+]1 ZINC000399562330 267301779 /nfs/dbraw/zinc/30/17/79/267301779.db2.gz FTYUALRORCNDPD-XLFHBGCDSA-N 1 2 251.355 1.253 20 30 CDEDLO C=CCCC(=O)NC1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000370272725 267305849 /nfs/dbraw/zinc/30/58/49/267305849.db2.gz LKHMEWAZNSGYBT-UHFFFAOYSA-N 1 2 274.368 1.836 20 30 CDEDLO C[N@H+](Cc1nnc2n1CCC2)Cc1ccc(C#N)cc1 ZINC000530778748 267324324 /nfs/dbraw/zinc/32/43/24/267324324.db2.gz SIURQAPQNUFQJM-UHFFFAOYSA-N 1 2 267.336 1.728 20 30 CDEDLO C[N@@H+](Cc1nnc2n1CCC2)Cc1ccc(C#N)cc1 ZINC000530778748 267324327 /nfs/dbraw/zinc/32/43/27/267324327.db2.gz SIURQAPQNUFQJM-UHFFFAOYSA-N 1 2 267.336 1.728 20 30 CDEDLO N#CCSCC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120529590 267472674 /nfs/dbraw/zinc/47/26/74/267472674.db2.gz RRNMLGGMJBXULH-LBPRGKRZSA-N 1 2 277.349 1.318 20 30 CDEDLO C[C@@H](C#N)NC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000349898416 278182418 /nfs/dbraw/zinc/18/24/18/278182418.db2.gz SUCBALNCOOIEET-NSHDSACASA-N 1 2 294.358 1.865 20 30 CDEDLO C[C@@H](C#N)NC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000349898416 278182419 /nfs/dbraw/zinc/18/24/19/278182419.db2.gz SUCBALNCOOIEET-NSHDSACASA-N 1 2 294.358 1.865 20 30 CDEDLO N#Cc1ccc(CC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000070159149 279207718 /nfs/dbraw/zinc/20/77/18/279207718.db2.gz HFYKDCOHXMPNRP-UHFFFAOYSA-N 1 2 268.320 1.504 20 30 CDEDLO N#CC1(F)CC[NH+](Cc2cnc3cnccn23)CC1 ZINC000348706876 279477786 /nfs/dbraw/zinc/47/77/86/279477786.db2.gz HYQSMXKRSUBUQT-UHFFFAOYSA-N 1 2 259.288 1.557 20 30 CDEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2cnn(C)c2)c1C#N ZINC000543505299 289595779 /nfs/dbraw/zinc/59/57/79/289595779.db2.gz PFYQPGWIUXCCNC-NSHDSACASA-N 1 2 298.346 1.929 20 30 CDEDLO Cn1cnnc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000551410955 290006995 /nfs/dbraw/zinc/00/69/95/290006995.db2.gz KGDONHTXKWHLJV-UHFFFAOYSA-N 1 2 253.309 1.466 20 30 CDEDLO N#Cc1ccc(C(=O)Nc2ccn3cc[nH+]c3c2)nc1 ZINC000551937976 290029289 /nfs/dbraw/zinc/02/92/89/290029289.db2.gz SIMSVNANPXYLTA-UHFFFAOYSA-N 1 2 263.260 1.853 20 30 CDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@]3(C#N)CC34CCCC4)C[C@@H]21 ZINC000333037932 290094575 /nfs/dbraw/zinc/09/45/75/290094575.db2.gz DNAXFNDBBCIAPW-ZENOOKHLSA-N 1 2 289.379 1.002 20 30 CDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)[C@@]3(C#N)CC34CCCC4)C[C@@H]21 ZINC000333037932 290094576 /nfs/dbraw/zinc/09/45/76/290094576.db2.gz DNAXFNDBBCIAPW-ZENOOKHLSA-N 1 2 289.379 1.002 20 30 CDEDLO N#Cc1ccnc(N2CC(n3cc[nH+]c3)C2)c1Cl ZINC000553442620 290119800 /nfs/dbraw/zinc/11/98/00/290119800.db2.gz SWQMQTHMOVJVHO-UHFFFAOYSA-N 1 2 259.700 1.864 20 30 CDEDLO CC(C)[N@H+](Cc1cnc2c(C#N)cnn2c1)C1COC1 ZINC000564656942 293388128 /nfs/dbraw/zinc/38/81/28/293388128.db2.gz OLNDKJJTZZPAIL-UHFFFAOYSA-N 1 2 271.324 1.210 20 30 CDEDLO CC(C)[N@@H+](Cc1cnc2c(C#N)cnn2c1)C1COC1 ZINC000564656942 293388129 /nfs/dbraw/zinc/38/81/29/293388129.db2.gz OLNDKJJTZZPAIL-UHFFFAOYSA-N 1 2 271.324 1.210 20 30 CDEDLO Cc1cc(NC[C@H](CO)Cc2ccco2)c(C#N)c[nH+]1 ZINC000568993801 294137096 /nfs/dbraw/zinc/13/70/96/294137096.db2.gz ZWHIVHWLBZXTCI-GFCCVEGCSA-N 1 2 271.320 1.540 20 30 CDEDLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1ccc(C#N)cn1 ZINC000563355890 316265273 /nfs/dbraw/zinc/26/52/73/316265273.db2.gz UFGYTLPBPPGYOL-LLVKDONJSA-N 1 2 261.325 1.727 20 30 CDEDLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1ccc(C#N)cn1 ZINC000563355890 316265276 /nfs/dbraw/zinc/26/52/76/316265276.db2.gz UFGYTLPBPPGYOL-LLVKDONJSA-N 1 2 261.325 1.727 20 30 CDEDLO Cc1cc(NC(=O)N=c2ccn(CCC#N)[nH]2)c(C)c[nH+]1 ZINC000526064255 328010498 /nfs/dbraw/zinc/01/04/98/328010498.db2.gz QIKNCTFFDHNVRO-UHFFFAOYSA-N 1 2 284.323 1.296 20 30 CDEDLO CC(C)OCC[NH+]1CCN(C(=O)C2(C#N)CC(C)C2)CC1 ZINC000531554585 328017061 /nfs/dbraw/zinc/01/70/61/328017061.db2.gz RREGJXPABPZQCP-UHFFFAOYSA-N 1 2 293.411 1.495 20 30 CDEDLO CC1CC(C#N)(C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000531562406 328018120 /nfs/dbraw/zinc/01/81/20/328018120.db2.gz ZXEBUVYHXIRCLL-UHFFFAOYSA-N 1 2 268.320 1.890 20 30 CDEDLO CCOC(=O)[C@H](C)C/[NH+]=C/c1cccc(O)c1O ZINC000267591757 328179234 /nfs/dbraw/zinc/17/92/34/328179234.db2.gz CYPRUNPRHOWRSK-MBBDXHFBSA-N 1 2 251.282 1.716 20 30 CDEDLO C[C@@H](CCC#N)N1CC[NH+](Cc2cccnc2)CC1 ZINC000276346339 328217608 /nfs/dbraw/zinc/21/76/08/328217608.db2.gz VFETXKRSSUPZPP-AWEZNQCLSA-N 1 2 258.369 1.891 20 30 CDEDLO Cc1nsc(NCC[N@H+]2CCOC[C@@H]2C)c1C#N ZINC000579266354 324145996 /nfs/dbraw/zinc/14/59/96/324145996.db2.gz ATJZHCGVSIAKPM-VIFPVBQESA-N 1 2 266.370 1.456 20 30 CDEDLO Cc1nsc(NCC[N@@H+]2CCOC[C@@H]2C)c1C#N ZINC000579266354 324145999 /nfs/dbraw/zinc/14/59/99/324145999.db2.gz ATJZHCGVSIAKPM-VIFPVBQESA-N 1 2 266.370 1.456 20 30 CDEDLO Cn1cc[nH+]c1[C@H](Nc1cncc(C#N)n1)C1CC1 ZINC000579707091 324258571 /nfs/dbraw/zinc/25/85/71/324258571.db2.gz BWQRUIJLICMESX-GFCCVEGCSA-N 1 2 254.297 1.645 20 30 CDEDLO N#Cc1cncnc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000579760449 324274626 /nfs/dbraw/zinc/27/46/26/324274626.db2.gz GGIWTLLVOFXSOW-UHFFFAOYSA-N 1 2 280.335 1.377 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N(Cc1ccccc1)C1CC1 ZINC000076185429 328485837 /nfs/dbraw/zinc/48/58/37/328485837.db2.gz GMOUQBQQLPAHTN-UHFFFAOYSA-N 1 2 280.371 1.746 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(F)ccc1F ZINC000558899919 327129988 /nfs/dbraw/zinc/12/99/88/327129988.db2.gz YPLNFXRUGRUDTF-ZDUSSCGKSA-N 1 2 267.279 1.538 20 30 CDEDLO C[C@@H](c1nnnn1-c1ccccc1)[NH+]1CCC(C#N)CC1 ZINC000141982851 327131834 /nfs/dbraw/zinc/13/18/34/327131834.db2.gz JADKPMAGVSVCEU-LBPRGKRZSA-N 1 2 282.351 1.959 20 30 CDEDLO CO[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccccc1 ZINC000564535349 327521548 /nfs/dbraw/zinc/52/15/48/327521548.db2.gz KLXIFTBISDTNNA-ZFWWWQNUSA-N 1 2 275.352 1.334 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000569682282 327535131 /nfs/dbraw/zinc/53/51/31/327535131.db2.gz KIMZRGNFFPLVDB-ZDUSSCGKSA-N 1 2 287.363 1.629 20 30 CDEDLO N#CCCN(CCC#N)Cc1c[nH+]c2ccccn12 ZINC000159720257 327556013 /nfs/dbraw/zinc/55/60/13/327556013.db2.gz LSTMVYVYLUBKGP-UHFFFAOYSA-N 1 2 253.309 1.964 20 30 CDEDLO CCC(CC)[C@H](C(=O)N[C@@H](C)C#N)[NH+]1CCOCC1 ZINC000173281380 329144397 /nfs/dbraw/zinc/14/43/97/329144397.db2.gz AOBKTGQGCOCQKY-WCQYABFASA-N 1 2 267.373 1.152 20 30 CDEDLO C#CC[NH2+][C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177384168 329185947 /nfs/dbraw/zinc/18/59/47/329185947.db2.gz VOVFIGRKFMRHIS-GFCCVEGCSA-N 1 2 270.254 1.629 20 30 CDEDLO CCC(CC)[C@H](C(=O)N[C@@H](C#N)CC)[NH+]1CCOCC1 ZINC000179241555 329206637 /nfs/dbraw/zinc/20/66/37/329206637.db2.gz VFBBDVLPHLANFK-ZIAGYGMSSA-N 1 2 281.400 1.542 20 30 CDEDLO C[C@@H](C#N)CNC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000583222575 329378545 /nfs/dbraw/zinc/37/85/45/329378545.db2.gz YIWLLJUMMQSYIF-ONGXEEELSA-N 1 2 261.329 1.330 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC000571851844 329926065 /nfs/dbraw/zinc/92/60/65/329926065.db2.gz APFLUHZWESWDTQ-MNOVXSKESA-N 1 2 259.313 1.509 20 30 CDEDLO C=CCn1cc(C[NH2+][C@@H](CC)c2ccn(C)n2)nn1 ZINC000424300660 330337160 /nfs/dbraw/zinc/33/71/60/330337160.db2.gz YJNIYRMHIBGTDC-LBPRGKRZSA-N 1 2 260.345 1.439 20 30 CDEDLO C=CC[N@@H+](C)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000121257063 330398598 /nfs/dbraw/zinc/39/85/98/330398598.db2.gz OLHVCRCRLABFKX-UHFFFAOYSA-N 1 2 289.335 1.558 20 30 CDEDLO C=CC[N@H+](C)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000121257063 330398599 /nfs/dbraw/zinc/39/85/99/330398599.db2.gz OLHVCRCRLABFKX-UHFFFAOYSA-N 1 2 289.335 1.558 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCC[NH+]1CCOCC1 ZINC000432074622 330592065 /nfs/dbraw/zinc/59/20/65/330592065.db2.gz CHUHZZWKDQWHQH-UHFFFAOYSA-N 1 2 269.389 1.220 20 30 CDEDLO C[C@H]1C[C@]1(C#N)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000449838441 330951613 /nfs/dbraw/zinc/95/16/13/330951613.db2.gz FTBRWCLKMMSXBD-SUMWQHHRSA-N 1 2 299.374 1.586 20 30 CDEDLO COCCN(CC#N)Cc1c[nH+]c2cc(C)ccn12 ZINC000453598346 331135635 /nfs/dbraw/zinc/13/56/35/331135635.db2.gz NVUPWXSUZNMEAS-UHFFFAOYSA-N 1 2 258.325 1.615 20 30 CDEDLO C=CC(C)(C)CNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000453876788 331138482 /nfs/dbraw/zinc/13/84/82/331138482.db2.gz DUDDMINSRXBKRZ-UHFFFAOYSA-N 1 2 277.324 1.357 20 30 CDEDLO C=CCC[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C(=O)OCC ZINC000456604326 331196383 /nfs/dbraw/zinc/19/63/83/331196383.db2.gz JPOTYCKXTHXLAW-LLVKDONJSA-N 1 2 279.340 1.275 20 30 CDEDLO C=CCC[C@@H](NC(=O)Cc1[nH+]c[nH]c1C)C(=O)OCC ZINC000456604326 331196384 /nfs/dbraw/zinc/19/63/84/331196384.db2.gz JPOTYCKXTHXLAW-LLVKDONJSA-N 1 2 279.340 1.275 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457318158 331218970 /nfs/dbraw/zinc/21/89/70/331218970.db2.gz TWABPXWXIFXRBE-GFCCVEGCSA-N 1 2 269.370 1.470 20 30 CDEDLO CC(C)(CC#N)CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000458163315 331244008 /nfs/dbraw/zinc/24/40/08/331244008.db2.gz BYZBUXQYCFHVRD-UHFFFAOYSA-N 1 2 296.415 1.336 20 30 CDEDLO CC(C)(CC#N)CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000458163315 331244009 /nfs/dbraw/zinc/24/40/09/331244009.db2.gz BYZBUXQYCFHVRD-UHFFFAOYSA-N 1 2 296.415 1.336 20 30 CDEDLO C=C(C)C[N@H+](Cc1cn(CC(N)=O)nn1)Cc1ccccc1 ZINC000459535604 331286491 /nfs/dbraw/zinc/28/64/91/331286491.db2.gz VXRWOIFLHUUHTM-UHFFFAOYSA-N 1 2 299.378 1.342 20 30 CDEDLO C=C(C)C[N@@H+](Cc1cn(CC(N)=O)nn1)Cc1ccccc1 ZINC000459535604 331286492 /nfs/dbraw/zinc/28/64/92/331286492.db2.gz VXRWOIFLHUUHTM-UHFFFAOYSA-N 1 2 299.378 1.342 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000490738507 332109698 /nfs/dbraw/zinc/10/96/98/332109698.db2.gz ASCQSWCOXGJMEP-DZGCQCFKSA-N 1 2 278.396 1.548 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000490738507 332109700 /nfs/dbraw/zinc/10/97/00/332109700.db2.gz ASCQSWCOXGJMEP-DZGCQCFKSA-N 1 2 278.396 1.548 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(F)c2F)CC1 ZINC000490800917 332116675 /nfs/dbraw/zinc/11/66/75/332116675.db2.gz XXZKJXLWRIZVQE-UHFFFAOYSA-N 1 2 294.301 1.121 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000491070260 332145784 /nfs/dbraw/zinc/14/57/84/332145784.db2.gz AJWVATHHVMOVTQ-SECBINFHSA-N 1 2 263.253 1.957 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000491070260 332145785 /nfs/dbraw/zinc/14/57/85/332145785.db2.gz AJWVATHHVMOVTQ-SECBINFHSA-N 1 2 263.253 1.957 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000491615260 332242756 /nfs/dbraw/zinc/24/27/56/332242756.db2.gz CEJVELHTFQMLOJ-HIFRSBDPSA-N 1 2 284.359 1.515 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000491615260 332242757 /nfs/dbraw/zinc/24/27/57/332242757.db2.gz CEJVELHTFQMLOJ-HIFRSBDPSA-N 1 2 284.359 1.515 20 30 CDEDLO C#CCn1ccc(CN(CC)C(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC000491629660 332252596 /nfs/dbraw/zinc/25/25/96/332252596.db2.gz ONYPUFLHUBIUBI-AWEZNQCLSA-N 1 2 299.378 1.713 20 30 CDEDLO C#CCN(C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)C1CCCC1 ZINC000491674616 332280595 /nfs/dbraw/zinc/28/05/95/332280595.db2.gz SLXJSBJQRMROGZ-LBPRGKRZSA-N 1 2 299.365 1.819 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCCC(=O)c1ccccc1 ZINC000491748933 332325833 /nfs/dbraw/zinc/32/58/33/332325833.db2.gz FIFGZIHHWGSPFJ-OAHLLOKOSA-N 1 2 257.333 1.984 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCCC(=O)c1ccccc1 ZINC000491748933 332325835 /nfs/dbraw/zinc/32/58/35/332325835.db2.gz FIFGZIHHWGSPFJ-OAHLLOKOSA-N 1 2 257.333 1.984 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H]2CC[C@H](C)O2)n1 ZINC000491759656 332331150 /nfs/dbraw/zinc/33/11/50/332331150.db2.gz NUCQOLCOBHNZDP-GOEBONIOSA-N 1 2 291.395 1.532 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H]2CC[C@H](C)O2)n1 ZINC000491759656 332331151 /nfs/dbraw/zinc/33/11/51/332331151.db2.gz NUCQOLCOBHNZDP-GOEBONIOSA-N 1 2 291.395 1.532 20 30 CDEDLO C#C[C@H]1COCCN1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000491779485 332344157 /nfs/dbraw/zinc/34/41/57/332344157.db2.gz HOOGJUBEDXBOHL-LBPRGKRZSA-N 1 2 273.361 1.768 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492958025 332420176 /nfs/dbraw/zinc/42/01/76/332420176.db2.gz LSZPXIPJVDTEOC-DAQCEPHFSA-N 1 2 261.325 1.520 20 30 CDEDLO COc1ccc(F)cc1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000517377880 333098382 /nfs/dbraw/zinc/09/83/82/333098382.db2.gz XCPPKLVPLOJWBK-HNNXBMFYSA-N 1 2 293.342 1.337 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCCOc1cccc(C)c1 ZINC000076185180 334076018 /nfs/dbraw/zinc/07/60/18/334076018.db2.gz ZCQIYJMGMJHRAZ-UHFFFAOYSA-N 1 2 284.359 1.058 20 30 CDEDLO C=CCCC(=O)CSc1[nH+]cnc2c1cnn2C ZINC000134735338 334102323 /nfs/dbraw/zinc/10/23/23/334102323.db2.gz HCPNAZYSVKAYGA-UHFFFAOYSA-N 1 2 262.338 1.991 20 30 CDEDLO C[C@@H]1CSCC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000247115015 334275958 /nfs/dbraw/zinc/27/59/58/334275958.db2.gz PKIFBNOQVQRDQR-ZWNOBZJWSA-N 1 2 267.398 1.232 20 30 CDEDLO C[C@@H]1CSCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000247115015 334275960 /nfs/dbraw/zinc/27/59/60/334275960.db2.gz PKIFBNOQVQRDQR-ZWNOBZJWSA-N 1 2 267.398 1.232 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CSc2ccccc21 ZINC000555483162 334479687 /nfs/dbraw/zinc/47/96/87/334479687.db2.gz XHUOPUMPWVECML-DOMZBBRYSA-N 1 2 289.404 1.836 20 30 CDEDLO CN(C)c1cccnc1C[NH2+]C[C@H](C#N)CCC#N ZINC000565806764 334598559 /nfs/dbraw/zinc/59/85/59/334598559.db2.gz KDBNQLSTTSJDPJ-LBPRGKRZSA-N 1 2 257.341 1.681 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC#N)CCC#N ZINC000577290530 335336194 /nfs/dbraw/zinc/33/61/94/335336194.db2.gz PRGZZNVRBUTDTK-NSHDSACASA-N 1 2 259.313 1.244 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC#N)CCC#N ZINC000577290530 335336195 /nfs/dbraw/zinc/33/61/95/335336195.db2.gz PRGZZNVRBUTDTK-NSHDSACASA-N 1 2 259.313 1.244 20 30 CDEDLO COCC#CC[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000677478798 482501014 /nfs/dbraw/zinc/50/10/14/482501014.db2.gz IKRQHOMWKIBXAN-UHFFFAOYSA-N 1 2 274.364 1.160 20 30 CDEDLO CCC#C[C@H](C)[NH+]1CCN(Cc2nc(COC)no2)CC1 ZINC000682032486 482527844 /nfs/dbraw/zinc/52/78/44/482527844.db2.gz ITWUMFATKZDQQS-ZDUSSCGKSA-N 1 2 292.383 1.136 20 30 CDEDLO COCC#CC[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000677478151 482681199 /nfs/dbraw/zinc/68/11/99/482681199.db2.gz PCDGGHKSRUMVDY-YFHOEESVSA-N 1 2 284.403 1.967 20 30 CDEDLO COCC#CC[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000677818269 482793771 /nfs/dbraw/zinc/79/37/71/482793771.db2.gz IIHZBEHBADVLBU-UHFFFAOYSA-N 1 2 266.385 1.359 20 30 CDEDLO COCC#CC[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000677818269 482793778 /nfs/dbraw/zinc/79/37/78/482793778.db2.gz IIHZBEHBADVLBU-UHFFFAOYSA-N 1 2 266.385 1.359 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2[nH]nc3ccccc32)C1=O ZINC000684966722 483040991 /nfs/dbraw/zinc/04/09/91/483040991.db2.gz KQQMYWFMGCIPCY-OAHLLOKOSA-N 1 2 284.363 1.782 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2[nH]nc3ccccc32)C1=O ZINC000684966722 483040997 /nfs/dbraw/zinc/04/09/97/483040997.db2.gz KQQMYWFMGCIPCY-OAHLLOKOSA-N 1 2 284.363 1.782 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2n[nH]c3ccccc23)C1=O ZINC000684966722 483041002 /nfs/dbraw/zinc/04/10/02/483041002.db2.gz KQQMYWFMGCIPCY-OAHLLOKOSA-N 1 2 284.363 1.782 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2n[nH]c3ccccc23)C1=O ZINC000684966722 483041008 /nfs/dbraw/zinc/04/10/08/483041008.db2.gz KQQMYWFMGCIPCY-OAHLLOKOSA-N 1 2 284.363 1.782 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C)CCCCCC2)[C@@H](O)C1 ZINC001083531397 1160757961 /nfs/dbraw/zinc/75/79/61/1160757961.db2.gz MDAUJCFLNLPACR-KGLIPLIRSA-N 1 2 278.396 1.141 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C)CCCCCC2)[C@@H](O)C1 ZINC001083531397 1160757972 /nfs/dbraw/zinc/75/79/72/1160757972.db2.gz MDAUJCFLNLPACR-KGLIPLIRSA-N 1 2 278.396 1.141 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCC(=C)C ZINC001234595409 1161140189 /nfs/dbraw/zinc/14/01/89/1161140189.db2.gz SEXANIABWBZTJE-AWEZNQCLSA-N 1 2 293.411 1.178 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCC(=C)C ZINC001234595409 1161140190 /nfs/dbraw/zinc/14/01/90/1161140190.db2.gz SEXANIABWBZTJE-AWEZNQCLSA-N 1 2 293.411 1.178 20 30 CDEDLO Cc1nc(N(C)C[C@@H](C)NC(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001108940661 1162024303 /nfs/dbraw/zinc/02/43/03/1162024303.db2.gz GUDBFBPEEIZZBS-GFCCVEGCSA-N 1 2 288.395 1.775 20 30 CDEDLO C=C(Br)C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000069528888 518582041 /nfs/dbraw/zinc/58/20/41/518582041.db2.gz FEHVQTQOZSFTLO-UHFFFAOYSA-N 1 2 287.201 1.982 20 30 CDEDLO CCC[C@H]([NH2+]C(C)C)C(=O)N=c1[nH][nH]c(C)c1C#N ZINC000357246168 521148216 /nfs/dbraw/zinc/14/82/16/521148216.db2.gz RQGDPNWHUSDAMS-NSHDSACASA-N 1 2 263.345 1.117 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338587261 522035662 /nfs/dbraw/zinc/03/56/62/522035662.db2.gz HOPAZUYSDMBHMS-AWEZNQCLSA-N 1 2 264.300 1.473 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338587261 522035669 /nfs/dbraw/zinc/03/56/69/522035669.db2.gz HOPAZUYSDMBHMS-AWEZNQCLSA-N 1 2 264.300 1.473 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCOC[C@H]1C#N ZINC000332074788 534678294 /nfs/dbraw/zinc/67/82/94/534678294.db2.gz YKVLJUJEZVVFLS-CYBMUJFWSA-N 1 2 298.346 1.486 20 30 CDEDLO C=C(C)COCCNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000347880180 526628248 /nfs/dbraw/zinc/62/82/48/526628248.db2.gz VINAQAWTJJFDLA-UHFFFAOYSA-N 1 2 279.388 1.488 20 30 CDEDLO C=C(C)COCCNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000347880180 526628251 /nfs/dbraw/zinc/62/82/51/526628251.db2.gz VINAQAWTJJFDLA-UHFFFAOYSA-N 1 2 279.388 1.488 20 30 CDEDLO N#Cc1cccc(OCC[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)c1 ZINC000246756981 526727206 /nfs/dbraw/zinc/72/72/06/526727206.db2.gz VUJDKBJWGQODEQ-HZPDHXFCSA-N 1 2 299.374 1.680 20 30 CDEDLO N#Cc1cccc(OCC[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)c1 ZINC000246756981 526727209 /nfs/dbraw/zinc/72/72/09/526727209.db2.gz VUJDKBJWGQODEQ-HZPDHXFCSA-N 1 2 299.374 1.680 20 30 CDEDLO C=CCCC1(C(=O)N2CC[NH+](CCOCC)CC2)CC1 ZINC000356003624 527084402 /nfs/dbraw/zinc/08/44/02/527084402.db2.gz RBNJDBFEYMXFDL-UHFFFAOYSA-N 1 2 280.412 1.914 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](CC(=O)OC)C1CCCC1 ZINC000353567325 528354642 /nfs/dbraw/zinc/35/46/42/528354642.db2.gz CUNIFMFIUKKBMQ-UHFFFAOYSA-N 1 2 295.383 1.166 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](CC(=O)OC)C1CCCC1 ZINC000353567325 528354647 /nfs/dbraw/zinc/35/46/47/528354647.db2.gz CUNIFMFIUKKBMQ-UHFFFAOYSA-N 1 2 295.383 1.166 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000331465548 528854067 /nfs/dbraw/zinc/85/40/67/528854067.db2.gz LFXLLGDAPJOHMM-IVMMDQJWSA-N 1 2 293.411 1.540 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000331465548 528854073 /nfs/dbraw/zinc/85/40/73/528854073.db2.gz LFXLLGDAPJOHMM-IVMMDQJWSA-N 1 2 293.411 1.540 20 30 CDEDLO C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(=O)N1CCCC1 ZINC000328857545 538442303 /nfs/dbraw/zinc/44/23/03/538442303.db2.gz YEAZNDQHCGPMEZ-NWDGAFQWSA-N 1 2 290.367 1.413 20 30 CDEDLO C#CCCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000742784191 574432176 /nfs/dbraw/zinc/43/21/76/574432176.db2.gz AAXRMRIQDYCNDJ-UHFFFAOYSA-N 1 2 286.375 1.662 20 30 CDEDLO C[C@@H]([NH2+]C1CCN(CC#N)CC1)C(=O)OC(C)(C)C ZINC000738423911 574579424 /nfs/dbraw/zinc/57/94/24/574579424.db2.gz HMJNJGCHBJGYNT-LLVKDONJSA-N 1 2 267.373 1.294 20 30 CDEDLO C#Cc1ccc(C(=O)NCc2cn3ccccc3[nH+]2)nc1 ZINC000728857407 574656858 /nfs/dbraw/zinc/65/68/58/574656858.db2.gz OVALJGMCPJRXEB-UHFFFAOYSA-N 1 2 276.299 1.641 20 30 CDEDLO FC(F)CNN=C1CCN(c2cccc[nH+]2)CC1 ZINC000740617348 574663746 /nfs/dbraw/zinc/66/37/46/574663746.db2.gz GVWCIPIWLLJBNT-UHFFFAOYSA-N 1 2 254.284 1.893 20 30 CDEDLO C=CCOCC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000729339003 574751205 /nfs/dbraw/zinc/75/12/05/574751205.db2.gz SKOWBSLDTPAITO-GFCCVEGCSA-N 1 2 265.357 1.617 20 30 CDEDLO C=C(Cl)CN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000729931196 574831064 /nfs/dbraw/zinc/83/10/64/574831064.db2.gz BTUNKZACKQNFOZ-UHFFFAOYSA-N 1 2 254.765 1.290 20 30 CDEDLO C=CC[N@@H+](CCS(N)(=O)=O)Cc1ccccc1F ZINC000735920636 575534812 /nfs/dbraw/zinc/53/48/12/575534812.db2.gz UUWLSGWLRHZSPP-UHFFFAOYSA-N 1 2 272.345 1.102 20 30 CDEDLO C=CC[N@H+](CCS(N)(=O)=O)Cc1ccccc1F ZINC000735920636 575534814 /nfs/dbraw/zinc/53/48/14/575534814.db2.gz UUWLSGWLRHZSPP-UHFFFAOYSA-N 1 2 272.345 1.102 20 30 CDEDLO Cc1noc([C@H](C)O[NH+]=C(N)c2ccc(F)cc2)n1 ZINC000736297292 575613487 /nfs/dbraw/zinc/61/34/87/575613487.db2.gz VJKGLIVVXOFSDW-ZETCQYMHSA-N 1 2 264.260 1.915 20 30 CDEDLO CC[C@@H]1CC(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)CCO1 ZINC000753937212 574982709 /nfs/dbraw/zinc/98/27/09/574982709.db2.gz WWWRVDFMKCRTMH-UPJWGTAASA-N 1 2 264.373 1.791 20 30 CDEDLO CC[C@@H]1CC(N=NC2=[NH+][C@H]3CCCC[C@H]3N2)CCO1 ZINC000753937212 574982712 /nfs/dbraw/zinc/98/27/12/574982712.db2.gz WWWRVDFMKCRTMH-UPJWGTAASA-N 1 2 264.373 1.791 20 30 CDEDLO NC(=[NH+]OC[C@H]1CCCOC1)c1ccc(F)cc1 ZINC000769876874 575394459 /nfs/dbraw/zinc/39/44/59/575394459.db2.gz HJCQOFZOAYZAPI-JTQLQIEISA-N 1 2 252.289 1.889 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)c2cccc(N)c2C1=O)C1CC1 ZINC000771638537 575599865 /nfs/dbraw/zinc/59/98/65/575599865.db2.gz ATKCAKDVWQSWRY-UHFFFAOYSA-N 1 2 271.320 1.473 20 30 CDEDLO C=CC[N@H+](CN1C(=O)c2cccc(N)c2C1=O)C1CC1 ZINC000771638537 575599868 /nfs/dbraw/zinc/59/98/68/575599868.db2.gz ATKCAKDVWQSWRY-UHFFFAOYSA-N 1 2 271.320 1.473 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nnc(C(C)C)[nH]1 ZINC000765231302 576000075 /nfs/dbraw/zinc/00/00/75/576000075.db2.gz QUTYVBSZBZQALO-RYUDHWBXSA-N 1 2 289.383 1.203 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nnc(C(C)C)[nH]1 ZINC000765231302 576000076 /nfs/dbraw/zinc/00/00/76/576000076.db2.gz QUTYVBSZBZQALO-RYUDHWBXSA-N 1 2 289.383 1.203 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000765231302 576000078 /nfs/dbraw/zinc/00/00/78/576000078.db2.gz QUTYVBSZBZQALO-RYUDHWBXSA-N 1 2 289.383 1.203 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000765231302 576000079 /nfs/dbraw/zinc/00/00/79/576000079.db2.gz QUTYVBSZBZQALO-RYUDHWBXSA-N 1 2 289.383 1.203 20 30 CDEDLO CN(C)c1ncc(C=[NH+]NCCOCC(F)(F)F)s1 ZINC000765593693 576042325 /nfs/dbraw/zinc/04/23/25/576042325.db2.gz MOEJIVXDAXYPDN-UHFFFAOYSA-N 1 2 296.318 1.712 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000738343152 576061109 /nfs/dbraw/zinc/06/11/09/576061109.db2.gz ZJBVJUGJRPJYSL-LLVKDONJSA-N 1 2 260.312 1.494 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000738343152 576061110 /nfs/dbraw/zinc/06/11/10/576061110.db2.gz ZJBVJUGJRPJYSL-LLVKDONJSA-N 1 2 260.312 1.494 20 30 CDEDLO Cc1cc(NC(=O)NCCNc2ncccc2C#N)cc[nH+]1 ZINC000767895371 576236821 /nfs/dbraw/zinc/23/68/21/576236821.db2.gz JTYIDDJOGFSZGW-UHFFFAOYSA-N 1 2 296.334 1.312 20 30 CDEDLO CC[C@]1(C)CC(=O)N(C[NH+]2CCC(C#N)CC2)C1=O ZINC000767968079 576243588 /nfs/dbraw/zinc/24/35/88/576243588.db2.gz FJVHWKMUPKRRGD-CQSZACIVSA-N 1 2 263.341 1.355 20 30 CDEDLO N#CCOc1cccc(CC(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000760567526 576494730 /nfs/dbraw/zinc/49/47/30/576494730.db2.gz NUKFAANYMNBFBM-UHFFFAOYSA-N 1 2 296.330 1.411 20 30 CDEDLO C[C@H]1CC(=NNc2nc(=O)c3ccccc3[nH]2)C[N@@H+]1C ZINC000761816181 576594676 /nfs/dbraw/zinc/59/46/76/576594676.db2.gz CZBJCJQHFGWQSQ-VIFPVBQESA-N 1 2 271.324 1.827 20 30 CDEDLO C[C@H]1CC(=NNc2nc(=O)c3ccccc3[nH]2)C[N@H+]1C ZINC000761816181 576594680 /nfs/dbraw/zinc/59/46/80/576594680.db2.gz CZBJCJQHFGWQSQ-VIFPVBQESA-N 1 2 271.324 1.827 20 30 CDEDLO Cn1cc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000761867981 576600642 /nfs/dbraw/zinc/60/06/42/576600642.db2.gz YBEVXKMIMZPBBE-UHFFFAOYSA-N 1 2 285.351 1.703 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CCOc2cccc(F)c2)CC1 ZINC000744422342 576679706 /nfs/dbraw/zinc/67/97/06/576679706.db2.gz MTOFMXOYXSHGTK-UHFFFAOYSA-N 1 2 290.338 1.372 20 30 CDEDLO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1sccc1C(N)=O ZINC000746456774 576776952 /nfs/dbraw/zinc/77/69/52/576776952.db2.gz IUPYUSOHTKGFPA-SECBINFHSA-N 1 2 279.365 1.129 20 30 CDEDLO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1sccc1C(N)=O ZINC000746456774 576776954 /nfs/dbraw/zinc/77/69/54/576776954.db2.gz IUPYUSOHTKGFPA-SECBINFHSA-N 1 2 279.365 1.129 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)nc1 ZINC000747401042 576868412 /nfs/dbraw/zinc/86/84/12/576868412.db2.gz RIPRBKLGGFNOQO-LBPRGKRZSA-N 1 2 268.320 1.326 20 30 CDEDLO COc1cccc(NC(=S)NN=Cc2c[nH+]cn2C)c1 ZINC000755507596 576947521 /nfs/dbraw/zinc/94/75/21/576947521.db2.gz FPTTZXODKCRACZ-UHFFFAOYSA-N 1 2 289.364 1.749 20 30 CDEDLO CC[C@]1(C)NC(=O)N(N=Cc2c[nH+]c3c(C)cccn23)C1=O ZINC000755553295 576949509 /nfs/dbraw/zinc/94/95/09/576949509.db2.gz BTBLBPQJTUYZOQ-HNNXBMFYSA-N 1 2 299.334 1.697 20 30 CDEDLO Cn1c[nH+]cc1C=NNc1nc2ccccc2c(=O)n1C ZINC000755605083 576951322 /nfs/dbraw/zinc/95/13/22/576951322.db2.gz VYWWMCHWSIGAMB-UHFFFAOYSA-N 1 2 282.307 1.113 20 30 CDEDLO Cc1[nH+]c[nH]c1CN=Nc1cc(Cl)nc(C)n1 ZINC000755746482 576958780 /nfs/dbraw/zinc/95/87/80/576958780.db2.gz YQMNYSYQGYGGQZ-UHFFFAOYSA-N 1 2 250.693 1.916 20 30 CDEDLO CCn1cc[nH+]c1CN=Nc1ncccc1[N+](=O)[O-] ZINC000755767684 576959894 /nfs/dbraw/zinc/95/98/94/576959894.db2.gz CZVJBEWMMSVTTK-UHFFFAOYSA-N 1 2 260.257 1.652 20 30 CDEDLO Cn1c[nH+]cc1CN=Nc1ccc(C(F)(F)F)nn1 ZINC000755814782 576962428 /nfs/dbraw/zinc/96/24/28/576962428.db2.gz ATGVDPUZXOKCFF-UHFFFAOYSA-N 1 2 270.218 1.675 20 30 CDEDLO C=c1[nH]c(=O)[nH]c(=O)c1=C(C)[NH2+]Nc1ccncc1Cl ZINC000756841861 577007805 /nfs/dbraw/zinc/00/78/05/577007805.db2.gz ANSWZDJGTRBGBL-UHFFFAOYSA-N 1 2 293.714 1.503 20 30 CDEDLO CCOc1ccc(O)c(/C=N/CC[N@@H+]2CCO[C@H](C)C2)c1 ZINC000750949067 577018626 /nfs/dbraw/zinc/01/86/26/577018626.db2.gz BXAZIMLCSFJGEB-VVBXCHJUSA-N 1 2 292.379 1.931 20 30 CDEDLO CCOc1ccc(O)c(/C=N/CC[N@H+]2CCO[C@H](C)C2)c1 ZINC000750949067 577018628 /nfs/dbraw/zinc/01/86/28/577018628.db2.gz BXAZIMLCSFJGEB-VVBXCHJUSA-N 1 2 292.379 1.931 20 30 CDEDLO N#Cc1cccn(CN2CCC(n3cc[nH+]c3)CC2)c1=O ZINC000758221704 577084864 /nfs/dbraw/zinc/08/48/64/577084864.db2.gz HNYWZPOVWMJHSV-UHFFFAOYSA-N 1 2 283.335 1.211 20 30 CDEDLO Cc1ccn(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c(=O)c1C#N ZINC000758222108 577084965 /nfs/dbraw/zinc/08/49/65/577084965.db2.gz FUTZUAATUFHRDK-TXEJJXNPSA-N 1 2 277.393 1.812 20 30 CDEDLO Cc1ccn(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c(=O)c1C#N ZINC000758222108 577084968 /nfs/dbraw/zinc/08/49/68/577084968.db2.gz FUTZUAATUFHRDK-TXEJJXNPSA-N 1 2 277.393 1.812 20 30 CDEDLO COC1(C)CC[NH+](Cn2ccc(C)c(C#N)c2=O)CC1 ZINC000758247141 577090642 /nfs/dbraw/zinc/09/06/42/577090642.db2.gz FTLNNKCACRSUFZ-UHFFFAOYSA-N 1 2 275.352 1.487 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2c(C)onc2CC)C1 ZINC000957381087 612991865 /nfs/dbraw/zinc/99/18/65/612991865.db2.gz ZQVLQBJSLWMPQV-UHFFFAOYSA-N 1 2 289.379 1.715 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cccc3n[nH]nc32)C1 ZINC000950412471 612992485 /nfs/dbraw/zinc/99/24/85/612992485.db2.gz UXAWHZOIFVNGBB-UHFFFAOYSA-N 1 2 297.362 1.128 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2coc(C3CC3)n2)C1 ZINC000952415960 612992978 /nfs/dbraw/zinc/99/29/78/612992978.db2.gz ZJODGJNOWHVXJA-UHFFFAOYSA-N 1 2 287.363 1.722 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2sccc2C)CC1 ZINC000980627615 613160599 /nfs/dbraw/zinc/16/05/99/613160599.db2.gz JJQASXNGZAIQIV-UHFFFAOYSA-N 1 2 262.378 1.838 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2sccc2C)CC1 ZINC000980627615 613160601 /nfs/dbraw/zinc/16/06/01/613160601.db2.gz JJQASXNGZAIQIV-UHFFFAOYSA-N 1 2 262.378 1.838 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc3nc[nH]c32)[C@@H](C)C1 ZINC000943745387 613237373 /nfs/dbraw/zinc/23/73/73/613237373.db2.gz SUNUBWGZIZPVMZ-GXTWGEPZSA-N 1 2 296.374 1.636 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cccc3nc[nH]c32)[C@@H](C)C1 ZINC000943745387 613237374 /nfs/dbraw/zinc/23/73/74/613237374.db2.gz SUNUBWGZIZPVMZ-GXTWGEPZSA-N 1 2 296.374 1.636 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CO[C@@H](C)C2)C1 ZINC000950667820 613295366 /nfs/dbraw/zinc/29/53/66/613295366.db2.gz RXSMFEQSCPNKFJ-QWHCGFSZSA-N 1 2 266.385 1.520 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc[n+]([O-])cc2)C1 ZINC000949621266 613296483 /nfs/dbraw/zinc/29/64/83/613296483.db2.gz BIRIOSSRDWKTRR-UHFFFAOYSA-N 1 2 275.352 1.042 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)C2(C)CCOCC2)CC1 ZINC000951765634 613315651 /nfs/dbraw/zinc/31/56/51/613315651.db2.gz NCNYSGVDFUQSHO-UHFFFAOYSA-N 1 2 266.385 1.523 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H]2C[C@@H](C)CO2)CC1 ZINC000949368144 613319698 /nfs/dbraw/zinc/31/96/98/613319698.db2.gz VFJDYBOYZGKGEB-CHWSQXEVSA-N 1 2 252.358 1.132 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ocnc2C)C1 ZINC000969457459 613371917 /nfs/dbraw/zinc/37/19/17/613371917.db2.gz ZXVMXVOVDKAVFR-SECBINFHSA-N 1 2 283.759 1.786 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccn[nH]2)C1 ZINC000969330381 613372491 /nfs/dbraw/zinc/37/24/91/613372491.db2.gz QMILDCOBDNQYSC-VIFPVBQESA-N 1 2 268.748 1.212 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ocnc2C)C1 ZINC000969457460 613372530 /nfs/dbraw/zinc/37/25/30/613372530.db2.gz ZXVMXVOVDKAVFR-VIFPVBQESA-N 1 2 283.759 1.786 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCCO2)CC1 ZINC000980735438 613373348 /nfs/dbraw/zinc/37/33/48/613373348.db2.gz YLGVILHSFIFGPY-ZDUSSCGKSA-N 1 2 286.803 1.842 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@@H]2CCCO2)CC1 ZINC000980735438 613373349 /nfs/dbraw/zinc/37/33/49/613373349.db2.gz YLGVILHSFIFGPY-ZDUSSCGKSA-N 1 2 286.803 1.842 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nnc[nH]2)C[C@H]1C ZINC000947821341 613379729 /nfs/dbraw/zinc/37/97/29/613379729.db2.gz TVHNOKBDZCDDOF-ZJUUUORDSA-N 1 2 283.763 1.140 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nnc[nH]2)C[C@H]1C ZINC000947821341 613379730 /nfs/dbraw/zinc/37/97/30/613379730.db2.gz TVHNOKBDZCDDOF-ZJUUUORDSA-N 1 2 283.763 1.140 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccco2)C1 ZINC000957783855 613380709 /nfs/dbraw/zinc/38/07/09/613380709.db2.gz NHXPGOWTZJMTSG-QWRGUYRKSA-N 1 2 284.743 1.055 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccco2)C1 ZINC000957783855 613380710 /nfs/dbraw/zinc/38/07/10/613380710.db2.gz NHXPGOWTZJMTSG-QWRGUYRKSA-N 1 2 284.743 1.055 20 30 CDEDLO C=C1CC(C)(C(=O)N2CC[NH+](CCn3cccn3)CC2)C1 ZINC000950373174 613393697 /nfs/dbraw/zinc/39/36/97/613393697.db2.gz JPJMVDLYAINZAD-UHFFFAOYSA-N 1 2 288.395 1.384 20 30 CDEDLO C=CCn1cc(C(=O)N2CC[NH+](CC=C(C)C)CC2)nn1 ZINC000951559931 613426122 /nfs/dbraw/zinc/42/61/22/613426122.db2.gz XJHFJBAFVBRFLL-UHFFFAOYSA-N 1 2 289.383 1.188 20 30 CDEDLO COCC[NH+]1CCN(C(=O)c2cc(C#N)ccc2C)CC1 ZINC000932689198 617346231 /nfs/dbraw/zinc/34/62/31/617346231.db2.gz XPWKWPCSWNISKQ-UHFFFAOYSA-N 1 2 287.363 1.271 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2ccc(CC)cn2)CC1 ZINC000950610695 613563052 /nfs/dbraw/zinc/56/30/52/613563052.db2.gz HPNIQJCUMVWTJY-UHFFFAOYSA-N 1 2 285.391 1.354 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2CC[C@H]3C[C@H]32)CC1 ZINC000948979964 613563276 /nfs/dbraw/zinc/56/32/76/613563276.db2.gz XUGMJDIPHWIKFL-SOUVJXGZSA-N 1 2 260.381 1.590 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2[nH]nc3ccccc32)CC1 ZINC000957768328 613563899 /nfs/dbraw/zinc/56/38/99/613563899.db2.gz XQQHQQCMXCRAPF-UHFFFAOYSA-N 1 2 296.374 1.273 20 30 CDEDLO O=C(NCC#C[C@@H]1CCCCO1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000891116043 617365648 /nfs/dbraw/zinc/36/56/48/617365648.db2.gz KBFQWAPGLSNJRR-KGLIPLIRSA-N 1 2 287.363 1.134 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCO[C@H]2CC)C1 ZINC000950489534 613653658 /nfs/dbraw/zinc/65/36/58/613653658.db2.gz AIONUPLHSLITLT-CABCVRRESA-N 1 2 280.412 1.910 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2(C)CCOCC2)CC1 ZINC000951765296 613707020 /nfs/dbraw/zinc/70/70/20/613707020.db2.gz FEXUGFRJCDFMBI-UHFFFAOYSA-N 1 2 252.358 1.133 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cn2ccc3ccccc32)CC1 ZINC000957698591 613709929 /nfs/dbraw/zinc/70/99/29/613709929.db2.gz BJXBMNMKXNLGDT-UHFFFAOYSA-N 1 2 283.375 1.972 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccccc2COC)CC1 ZINC000951710745 613710086 /nfs/dbraw/zinc/71/00/86/613710086.db2.gz XQLNRSUGIWJIIM-UHFFFAOYSA-N 1 2 288.391 1.706 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@@H](C)Cc3cn[nH]c32)CC1 ZINC000949837653 613711568 /nfs/dbraw/zinc/71/15/68/613711568.db2.gz SGTBWSIADUSTNC-GXTWGEPZSA-N 1 2 288.395 1.406 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC000948694520 613713529 /nfs/dbraw/zinc/71/35/29/613713529.db2.gz RSSVPRKEEJAVCX-UONOGXRCSA-N 1 2 266.385 1.378 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc(-n3cncn3)c2)CC1 ZINC000950411200 613716976 /nfs/dbraw/zinc/71/69/76/613716976.db2.gz OZJXAMBYCOSNTE-UHFFFAOYSA-N 1 2 297.362 1.211 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cncc(COC)c2)CC1 ZINC000948831857 613718150 /nfs/dbraw/zinc/71/81/50/613718150.db2.gz CXNKZLPMSIOUBL-UHFFFAOYSA-N 1 2 275.352 1.172 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnn(C(F)F)c2)CC1 ZINC000952423813 613718498 /nfs/dbraw/zinc/71/84/98/613718498.db2.gz AYVGZDZWPCOKEP-UHFFFAOYSA-N 1 2 270.283 1.222 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CCC3)C2)C1 ZINC000972204717 613723011 /nfs/dbraw/zinc/72/30/11/613723011.db2.gz VYSIUVALQBERPI-HNNXBMFYSA-N 1 2 264.369 1.276 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CCC3)C2)C1 ZINC000972204717 613723012 /nfs/dbraw/zinc/72/30/12/613723012.db2.gz VYSIUVALQBERPI-HNNXBMFYSA-N 1 2 264.369 1.276 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C(C)C)C2)C1 ZINC000972581345 613723902 /nfs/dbraw/zinc/72/39/02/613723902.db2.gz HIKIGBINWOQSGE-ZBFHGGJFSA-N 1 2 280.412 1.768 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C(C)C)C2)C1 ZINC000972581345 613723905 /nfs/dbraw/zinc/72/39/05/613723905.db2.gz HIKIGBINWOQSGE-ZBFHGGJFSA-N 1 2 280.412 1.768 20 30 CDEDLO C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnns2)C1 ZINC000965392504 613770553 /nfs/dbraw/zinc/77/05/53/613770553.db2.gz CZSVLVLEHNSXOE-UWVGGRQHSA-N 1 2 266.370 1.164 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnns2)C1 ZINC000965392504 613770555 /nfs/dbraw/zinc/77/05/55/613770555.db2.gz CZSVLVLEHNSXOE-UWVGGRQHSA-N 1 2 266.370 1.164 20 30 CDEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1nnc[nH]1 ZINC000948969241 613805370 /nfs/dbraw/zinc/80/53/70/613805370.db2.gz CFNBHUFZVFTFEX-AWEZNQCLSA-N 1 2 297.362 1.320 20 30 CDEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1nnc[nH]1 ZINC000948969241 613805373 /nfs/dbraw/zinc/80/53/73/613805373.db2.gz CFNBHUFZVFTFEX-AWEZNQCLSA-N 1 2 297.362 1.320 20 30 CDEDLO CC[N@H+](CCC#N)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891577318 617486421 /nfs/dbraw/zinc/48/64/21/617486421.db2.gz BOCWSEWIZVDKGQ-VXGBXAGGSA-N 1 2 256.321 1.856 20 30 CDEDLO CC[N@@H+](CCC#N)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891577318 617486424 /nfs/dbraw/zinc/48/64/24/617486424.db2.gz BOCWSEWIZVDKGQ-VXGBXAGGSA-N 1 2 256.321 1.856 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935236581 618086049 /nfs/dbraw/zinc/08/60/49/618086049.db2.gz XHCHZEVYQDUMGI-SNVBAGLBSA-N 1 2 259.309 1.477 20 30 CDEDLO Cc1cc(C#N)nc(N[C@H](C)C[NH+]2CCOCC2)c1 ZINC000891837164 617635593 /nfs/dbraw/zinc/63/55/93/617635593.db2.gz BNFMWDHBBMXNLR-GFCCVEGCSA-N 1 2 260.341 1.394 20 30 CDEDLO Cn1cc(C[NH+]2CCN(CC#N)CC2)c(C2CCCC2)n1 ZINC000891901880 617742843 /nfs/dbraw/zinc/74/28/43/617742843.db2.gz HMXPWGUAKIRMDD-UHFFFAOYSA-N 1 2 287.411 1.719 20 30 CDEDLO C=CCCCN(CC)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000892872971 617849343 /nfs/dbraw/zinc/84/93/43/617849343.db2.gz ZMVHINMMQAFEDY-HNNXBMFYSA-N 1 2 296.459 1.620 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000932153053 617954653 /nfs/dbraw/zinc/95/46/53/617954653.db2.gz MOIJANNSYCRQPY-CYBMUJFWSA-N 1 2 293.392 1.112 20 30 CDEDLO N#C[C@H]1CCC[N@H+](CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000932153053 617954657 /nfs/dbraw/zinc/95/46/57/617954657.db2.gz MOIJANNSYCRQPY-CYBMUJFWSA-N 1 2 293.392 1.112 20 30 CDEDLO C=CCC(C)(C)CNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000922606304 618294053 /nfs/dbraw/zinc/29/40/53/618294053.db2.gz WNCHIBZGVSUSQY-AWEZNQCLSA-N 1 2 297.443 1.999 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000894066473 618332722 /nfs/dbraw/zinc/33/27/22/618332722.db2.gz COFIRPDGDRFSPQ-TUAOUCFPSA-N 1 2 278.356 1.415 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000894066473 618332738 /nfs/dbraw/zinc/33/27/38/618332738.db2.gz COFIRPDGDRFSPQ-TUAOUCFPSA-N 1 2 278.356 1.415 20 30 CDEDLO COc1cc(F)c(C[NH2+][C@H]2CCCN(O)C2=O)cc1OC ZINC000895158082 619373994 /nfs/dbraw/zinc/37/39/94/619373994.db2.gz WHCLEVRPQBHDDZ-NSHDSACASA-N 1 2 298.314 1.313 20 30 CDEDLO C=C[C@@H](CC)CC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000909525545 619756219 /nfs/dbraw/zinc/75/62/19/619756219.db2.gz PUAAVBTZMMVHDJ-MELADBBJSA-N 1 2 267.369 1.995 20 30 CDEDLO C=C[C@@H](CC)CC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000909525545 619756222 /nfs/dbraw/zinc/75/62/22/619756222.db2.gz PUAAVBTZMMVHDJ-MELADBBJSA-N 1 2 267.369 1.995 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2c(Cl)cnn2C)CC1 ZINC000895833955 619867836 /nfs/dbraw/zinc/86/78/36/619867836.db2.gz GOKMLCKZIXTUII-UHFFFAOYSA-N 1 2 269.776 1.977 20 30 CDEDLO N#Cc1cnc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)s1 ZINC000896485272 620107885 /nfs/dbraw/zinc/10/78/85/620107885.db2.gz XWVXXFGDTTYPSW-QMMMGPOBSA-N 1 2 273.321 1.412 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800212184 620856981 /nfs/dbraw/zinc/85/69/81/620856981.db2.gz VWPAVGKOYWQFTC-OCCSQVGLSA-N 1 2 255.358 1.853 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800212184 620856983 /nfs/dbraw/zinc/85/69/83/620856983.db2.gz VWPAVGKOYWQFTC-OCCSQVGLSA-N 1 2 255.358 1.853 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898504403 621780521 /nfs/dbraw/zinc/78/05/21/621780521.db2.gz RCNXSCRQTVHOAG-MCIONIFRSA-N 1 2 284.375 1.518 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898504403 621780524 /nfs/dbraw/zinc/78/05/24/621780524.db2.gz RCNXSCRQTVHOAG-MCIONIFRSA-N 1 2 284.375 1.518 20 30 CDEDLO Cn1c[nH+]cc1CCCn1cc2c(c(C#N)c1=O)CCCC2 ZINC000902414348 624819448 /nfs/dbraw/zinc/81/94/48/624819448.db2.gz SWDUBJHSIOEBDB-UHFFFAOYSA-N 1 2 296.374 1.965 20 30 CDEDLO C#CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)C(C)C ZINC000917015159 632125668 /nfs/dbraw/zinc/12/56/68/632125668.db2.gz FEAFIOZZVWCSNC-ZIAGYGMSSA-N 1 2 281.400 1.149 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)COc1cccc(C#N)c1 ZINC000918583400 632392023 /nfs/dbraw/zinc/39/20/23/632392023.db2.gz GTOYHYQKUCWVCO-GFCCVEGCSA-N 1 2 284.319 1.338 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nccs2)CC[C@@H]1C ZINC001071930445 694880126 /nfs/dbraw/zinc/88/01/26/694880126.db2.gz FEAGZKCMFGQALR-QWRGUYRKSA-N 1 2 263.366 1.359 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nccs2)CC[C@@H]1C ZINC001071930445 694880128 /nfs/dbraw/zinc/88/01/28/694880128.db2.gz FEAGZKCMFGQALR-QWRGUYRKSA-N 1 2 263.366 1.359 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCC[C@@H](OC)C2)C1 ZINC001030869572 693908207 /nfs/dbraw/zinc/90/82/07/693908207.db2.gz SFCUXDBWXJLGHE-GXTWGEPZSA-N 1 2 266.385 1.568 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001032823247 693928510 /nfs/dbraw/zinc/92/85/10/693928510.db2.gz UAHLANBMJORRRG-HRCADAONSA-N 1 2 296.370 1.217 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001032823247 693928535 /nfs/dbraw/zinc/92/85/35/693928535.db2.gz UAHLANBMJORRRG-HRCADAONSA-N 1 2 296.370 1.217 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCOC2)C1 ZINC001033768206 693961156 /nfs/dbraw/zinc/96/11/56/693961156.db2.gz XQUIJFHQVAZLGZ-QWHCGFSZSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCOC2)C1 ZINC001033768206 693961162 /nfs/dbraw/zinc/96/11/62/693961162.db2.gz XQUIJFHQVAZLGZ-QWHCGFSZSA-N 1 2 286.803 1.698 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(OC)c1 ZINC001017696971 693966375 /nfs/dbraw/zinc/96/63/75/693966375.db2.gz WPPJJEQOUXGSTR-GASCZTMLSA-N 1 2 299.374 1.402 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(OC)c1 ZINC001017696971 693966379 /nfs/dbraw/zinc/96/63/79/693966379.db2.gz WPPJJEQOUXGSTR-GASCZTMLSA-N 1 2 299.374 1.402 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1 ZINC001017301045 693984673 /nfs/dbraw/zinc/98/46/73/693984673.db2.gz CEDOIMBSTKBPAY-GASCZTMLSA-N 1 2 269.348 1.394 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1 ZINC001017301045 693984682 /nfs/dbraw/zinc/98/46/82/693984682.db2.gz CEDOIMBSTKBPAY-GASCZTMLSA-N 1 2 269.348 1.394 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(C)C ZINC001017578647 695097962 /nfs/dbraw/zinc/09/79/62/695097962.db2.gz TUKPDGULKYMSRL-OKILXGFUSA-N 1 2 262.397 1.977 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(C)C ZINC001017578647 695097966 /nfs/dbraw/zinc/09/79/66/695097966.db2.gz TUKPDGULKYMSRL-OKILXGFUSA-N 1 2 262.397 1.977 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1C1CC1 ZINC001017855760 693982488 /nfs/dbraw/zinc/98/24/88/693982488.db2.gz FRMWEFPSTQYXBN-OKILXGFUSA-N 1 2 283.375 1.814 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1C1CC1 ZINC001017855760 693982494 /nfs/dbraw/zinc/98/24/94/693982494.db2.gz FRMWEFPSTQYXBN-OKILXGFUSA-N 1 2 283.375 1.814 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc[nH]c3)cc2C1 ZINC001054266631 693985898 /nfs/dbraw/zinc/98/58/98/693985898.db2.gz FBTJMWOUKZBPQY-UHFFFAOYSA-N 1 2 279.343 1.894 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc[nH]c3)cc2C1 ZINC001054266631 693985908 /nfs/dbraw/zinc/98/59/08/693985908.db2.gz FBTJMWOUKZBPQY-UHFFFAOYSA-N 1 2 279.343 1.894 20 30 CDEDLO C#C[C@H]([NH2+][C@H](C)c1cc(OC)no1)[C@H]1CCCO1 ZINC000926211472 694020448 /nfs/dbraw/zinc/02/04/48/694020448.db2.gz USWPEGZZTNLHOC-OUAUKWLOSA-N 1 2 250.298 1.515 20 30 CDEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC000846835263 694027092 /nfs/dbraw/zinc/02/70/92/694027092.db2.gz INLQYYZZKNJEHC-INIZCTEOSA-N 1 2 299.378 1.889 20 30 CDEDLO C=C(Cl)CN1CC(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001030933348 694059670 /nfs/dbraw/zinc/05/96/70/694059670.db2.gz FBVTZLDCAGCMMS-LLVKDONJSA-N 1 2 294.786 1.383 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC2(F)F)C1 ZINC001033063420 694098017 /nfs/dbraw/zinc/09/80/17/694098017.db2.gz AQLCOEIBNLRAFR-VHSXEESVSA-N 1 2 278.730 1.927 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC2(F)F)C1 ZINC001033063420 694098023 /nfs/dbraw/zinc/09/80/23/694098023.db2.gz AQLCOEIBNLRAFR-VHSXEESVSA-N 1 2 278.730 1.927 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CCC(C)C)C1 ZINC000885511225 694100778 /nfs/dbraw/zinc/10/07/78/694100778.db2.gz CYPHZVLDEMOUOK-CYBMUJFWSA-N 1 2 272.414 1.050 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCC(C)C)C1 ZINC000885511225 694100810 /nfs/dbraw/zinc/10/08/10/694100810.db2.gz CYPHZVLDEMOUOK-CYBMUJFWSA-N 1 2 272.414 1.050 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cccc(OC)c1C ZINC000884432818 694122775 /nfs/dbraw/zinc/12/27/75/694122775.db2.gz QMTZPTRYQHHFLV-NSHDSACASA-N 1 2 292.335 1.389 20 30 CDEDLO O=C(C#Cc1ccccc1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857962743 694135846 /nfs/dbraw/zinc/13/58/46/694135846.db2.gz MQJVOESOXIYSNT-AWEZNQCLSA-N 1 2 265.316 1.366 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cncnc2)CC[C@@H]1C ZINC001071448569 688221061 /nfs/dbraw/zinc/22/10/61/688221061.db2.gz XPQZGDVSVIVKDG-WCQYABFASA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cncnc2)CC[C@@H]1C ZINC001071448569 688221068 /nfs/dbraw/zinc/22/10/68/688221068.db2.gz XPQZGDVSVIVKDG-WCQYABFASA-N 1 2 294.786 1.812 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]nc1CC ZINC001017697647 688232587 /nfs/dbraw/zinc/23/25/87/688232587.db2.gz GBKWMCKSHHHMSQ-BETUJISGSA-N 1 2 286.379 1.284 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]nc1CC ZINC001017697647 688232597 /nfs/dbraw/zinc/23/25/97/688232597.db2.gz GBKWMCKSHHHMSQ-BETUJISGSA-N 1 2 286.379 1.284 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2cc[nH]c21 ZINC001032642096 688236442 /nfs/dbraw/zinc/23/64/42/688236442.db2.gz XPAQVCRNJMGFIU-KBPBESRZSA-N 1 2 279.343 1.700 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2cc[nH]c21 ZINC001032642096 688236453 /nfs/dbraw/zinc/23/64/53/688236453.db2.gz XPAQVCRNJMGFIU-KBPBESRZSA-N 1 2 279.343 1.700 20 30 CDEDLO C#CC[N@H+](Cc1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000932388250 688306296 /nfs/dbraw/zinc/30/62/96/688306296.db2.gz ZTNOUIGLQQEBHM-UHFFFAOYSA-N 1 2 265.378 1.934 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000932388250 688306300 /nfs/dbraw/zinc/30/63/00/688306300.db2.gz ZTNOUIGLQQEBHM-UHFFFAOYSA-N 1 2 265.378 1.934 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H]1C(C)C ZINC001017606442 688318546 /nfs/dbraw/zinc/31/85/46/688318546.db2.gz PVQKJHZIRCUURP-QXSJWSMHSA-N 1 2 290.407 1.356 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H]1C(C)C ZINC001017606442 688318552 /nfs/dbraw/zinc/31/85/52/688318552.db2.gz PVQKJHZIRCUURP-QXSJWSMHSA-N 1 2 290.407 1.356 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC1(C)C)O2 ZINC001053593922 688326525 /nfs/dbraw/zinc/32/65/25/688326525.db2.gz YTMQGPVEDRJXMC-KBPBESRZSA-N 1 2 292.423 1.958 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C(C)(C)c2cnn(C)c2)C1 ZINC001031179026 694194773 /nfs/dbraw/zinc/19/47/73/694194773.db2.gz FRZFSQZNQIRTJJ-UHFFFAOYSA-N 1 2 276.384 1.074 20 30 CDEDLO C#C[C@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)[C@@H]1CCCO1 ZINC000775792001 688373019 /nfs/dbraw/zinc/37/30/19/688373019.db2.gz PKUKGUBPMYSPQH-ZFWWWQNUSA-N 1 2 297.358 1.204 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCC[C@@H](OC)C2)C1 ZINC001030868333 688376815 /nfs/dbraw/zinc/37/68/15/688376815.db2.gz FXWNDQVBPOFADP-TZMCWYRMSA-N 1 2 264.369 1.015 20 30 CDEDLO C#C[C@@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C(C)(C)C ZINC000852341922 688392528 /nfs/dbraw/zinc/39/25/28/688392528.db2.gz ZWEAXWXIPRXBRI-UONOGXRCSA-N 1 2 293.411 1.150 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2cc(C)no2)CC1 ZINC001002329941 694199892 /nfs/dbraw/zinc/19/98/92/694199892.db2.gz SRZADVOOGPJPEV-UHFFFAOYSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2cccnc2)C1 ZINC001033004276 688433319 /nfs/dbraw/zinc/43/33/19/688433319.db2.gz HLEYFERSJUNABY-AWEZNQCLSA-N 1 2 293.798 1.909 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2cccnc2)C1 ZINC001033004276 688433324 /nfs/dbraw/zinc/43/33/24/688433324.db2.gz HLEYFERSJUNABY-AWEZNQCLSA-N 1 2 293.798 1.909 20 30 CDEDLO C#CCCS(=O)(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000791419091 688455793 /nfs/dbraw/zinc/45/57/93/688455793.db2.gz VLFJZRALNKGWOQ-UHFFFAOYSA-N 1 2 276.317 1.604 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(Cl)cc2)C1 ZINC001035582168 688466460 /nfs/dbraw/zinc/46/64/60/688466460.db2.gz ASDBYBNGGWDXRI-CQSZACIVSA-N 1 2 294.782 1.957 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(Cl)cc2)C1 ZINC001035582168 688466474 /nfs/dbraw/zinc/46/64/74/688466474.db2.gz ASDBYBNGGWDXRI-CQSZACIVSA-N 1 2 294.782 1.957 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)[nH]nc1C(C)C ZINC001032722025 688472217 /nfs/dbraw/zinc/47/22/17/688472217.db2.gz MJIGTTLEEGVABD-STQMWFEESA-N 1 2 286.379 1.373 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)[nH]nc1C(C)C ZINC001032722025 688472223 /nfs/dbraw/zinc/47/22/23/688472223.db2.gz MJIGTTLEEGVABD-STQMWFEESA-N 1 2 286.379 1.373 20 30 CDEDLO C#CCCCS(=O)(=O)N1c2cc[nH+]cc2C[C@H]1C ZINC000857899903 688478245 /nfs/dbraw/zinc/47/82/45/688478245.db2.gz SECNSOOPBGFGPB-LLVKDONJSA-N 1 2 264.350 1.576 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cccn1C ZINC001050818512 688538511 /nfs/dbraw/zinc/53/85/11/688538511.db2.gz DGSDSVOMWWZGQU-CYBMUJFWSA-N 1 2 277.368 1.032 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccn1C ZINC001050818512 688538524 /nfs/dbraw/zinc/53/85/24/688538524.db2.gz DGSDSVOMWWZGQU-CYBMUJFWSA-N 1 2 277.368 1.032 20 30 CDEDLO C=C(C)C[N@@H+]1CCCN(C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000989641491 688576080 /nfs/dbraw/zinc/57/60/80/688576080.db2.gz DKFCKXDJIQQTPA-UHFFFAOYSA-N 1 2 299.378 1.682 20 30 CDEDLO C=C(C)C[N@H+]1CCCN(C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000989641491 688576098 /nfs/dbraw/zinc/57/60/98/688576098.db2.gz DKFCKXDJIQQTPA-UHFFFAOYSA-N 1 2 299.378 1.682 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21 ZINC001049998333 688577671 /nfs/dbraw/zinc/57/76/71/688577671.db2.gz DYCNHAYRSHFCJH-HZSPNIEDSA-N 1 2 299.378 1.059 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21 ZINC001049998333 688577692 /nfs/dbraw/zinc/57/76/92/688577692.db2.gz DYCNHAYRSHFCJH-HZSPNIEDSA-N 1 2 299.378 1.059 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(F)cc(F)cc2F)C1 ZINC001043712934 688617184 /nfs/dbraw/zinc/61/71/84/688617184.db2.gz ULPPLJSBCQPVLK-UHFFFAOYSA-N 1 2 296.292 1.883 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(N(C)C)c1 ZINC001038959393 688677797 /nfs/dbraw/zinc/67/77/97/688677797.db2.gz BVKYJEAWRQUWPF-HNNXBMFYSA-N 1 2 271.364 1.190 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(N(C)C)c1 ZINC001038959393 688677808 /nfs/dbraw/zinc/67/78/08/688677808.db2.gz BVKYJEAWRQUWPF-HNNXBMFYSA-N 1 2 271.364 1.190 20 30 CDEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)CC)CC1 ZINC001070938347 688678522 /nfs/dbraw/zinc/67/85/22/688678522.db2.gz PMLGCOZAFAYBTI-CQSZACIVSA-N 1 2 295.427 1.259 20 30 CDEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)CC)CC1 ZINC001070938347 688678526 /nfs/dbraw/zinc/67/85/26/688678526.db2.gz PMLGCOZAFAYBTI-CQSZACIVSA-N 1 2 295.427 1.259 20 30 CDEDLO C#Cc1cncc(C(=O)NC2C[NH+](CC[C@H](C)F)C2)c1 ZINC001030928311 688686129 /nfs/dbraw/zinc/68/61/29/688686129.db2.gz NEHYVIOJXSNACZ-NSHDSACASA-N 1 2 275.327 1.225 20 30 CDEDLO NC(=[NH+]OCc1nccs1)c1ccc2c(c1)CCO2 ZINC000158217044 688691461 /nfs/dbraw/zinc/69/14/61/688691461.db2.gz BMJJOHNJURSKLL-UHFFFAOYSA-N 1 2 275.333 1.915 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2[nH]cnc2C)CC1 ZINC001001498521 688705567 /nfs/dbraw/zinc/70/55/67/688705567.db2.gz UXFZRYXVUHLYBK-UHFFFAOYSA-N 1 2 294.786 1.833 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2[nH]cnc2C)CC1 ZINC001001498521 688705584 /nfs/dbraw/zinc/70/55/84/688705584.db2.gz UXFZRYXVUHLYBK-UHFFFAOYSA-N 1 2 294.786 1.833 20 30 CDEDLO C=CC[N@@H+](C)CN1C[C@@](C)(c2ccccn2)CC1=O ZINC000777542207 688771079 /nfs/dbraw/zinc/77/10/79/688771079.db2.gz WJTVMLGFOMUVOO-HNNXBMFYSA-N 1 2 259.353 1.647 20 30 CDEDLO C=CC[N@H+](C)CN1C[C@@](C)(c2ccccn2)CC1=O ZINC000777542207 688771097 /nfs/dbraw/zinc/77/10/97/688771097.db2.gz WJTVMLGFOMUVOO-HNNXBMFYSA-N 1 2 259.353 1.647 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c[nH]cc2C2CC2)C1 ZINC001044115860 688786031 /nfs/dbraw/zinc/78/60/31/688786031.db2.gz ZLKLXZOUZCQNJN-UHFFFAOYSA-N 1 2 271.364 1.672 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)CCC(F)(F)F ZINC000884115998 688818159 /nfs/dbraw/zinc/81/81/59/688818159.db2.gz KAMWHXABDIUIMN-VIFPVBQESA-N 1 2 296.289 1.234 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2CC[C@@H](C(F)(F)F)O2)C1 ZINC001030712502 688834216 /nfs/dbraw/zinc/83/42/16/688834216.db2.gz SAAXZCQXGFLMCI-QWRGUYRKSA-N 1 2 292.301 1.473 20 30 CDEDLO O=C(C#CC1CC1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000837494232 688863584 /nfs/dbraw/zinc/86/35/84/688863584.db2.gz UNLMQZGSWQLFII-CYBMUJFWSA-N 1 2 255.321 1.190 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2CCC[C@@H](OC)C2)C1 ZINC001030417782 688881880 /nfs/dbraw/zinc/88/18/80/688881880.db2.gz XJRAFJFNILHOPL-DZGCQCFKSA-N 1 2 280.412 1.958 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](Nc2cn[nH]c(=O)c2Cl)C1 ZINC000884613176 688890481 /nfs/dbraw/zinc/89/04/81/688890481.db2.gz FUTYXNSRLTWFPU-VIFPVBQESA-N 1 2 266.732 1.345 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](Nc2cn[nH]c(=O)c2Cl)C1 ZINC000884613176 688890486 /nfs/dbraw/zinc/89/04/86/688890486.db2.gz FUTYXNSRLTWFPU-VIFPVBQESA-N 1 2 266.732 1.345 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cnn(C)c2)C1 ZINC001034096035 688893117 /nfs/dbraw/zinc/89/31/17/688893117.db2.gz BLFFUFXMINMQNT-CYBMUJFWSA-N 1 2 296.802 1.757 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnn(C)c2)C1 ZINC001034096035 688893120 /nfs/dbraw/zinc/89/31/20/688893120.db2.gz BLFFUFXMINMQNT-CYBMUJFWSA-N 1 2 296.802 1.757 20 30 CDEDLO C=CCC1(O)CC[NH+]([C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000886771981 694283027 /nfs/dbraw/zinc/28/30/27/694283027.db2.gz QQYONNSJILPVQO-CQSZACIVSA-N 1 2 292.354 1.755 20 30 CDEDLO C=CCCO[C@H](C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000791795521 694287553 /nfs/dbraw/zinc/28/75/53/694287553.db2.gz QFZFZNDAYBNESU-SNVBAGLBSA-N 1 2 250.298 1.688 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)nc1 ZINC001017410213 694321641 /nfs/dbraw/zinc/32/16/41/694321641.db2.gz WCXQNKPOJLRDDM-BETUJISGSA-N 1 2 273.311 1.143 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)nc1 ZINC001017410213 694321645 /nfs/dbraw/zinc/32/16/45/694321645.db2.gz WCXQNKPOJLRDDM-BETUJISGSA-N 1 2 273.311 1.143 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(F)(F)CC1 ZINC000796541800 694373415 /nfs/dbraw/zinc/37/34/15/694373415.db2.gz NYEIJVQDMDSBNQ-NSHDSACASA-N 1 2 273.327 1.726 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2ccc(OC)c(OC)c2)C1 ZINC001031339761 694395908 /nfs/dbraw/zinc/39/59/08/694395908.db2.gz ICVFJNYWIACQEI-UHFFFAOYSA-N 1 2 290.363 1.233 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)Cc2[nH]nc3ccccc32)C1 ZINC001031432574 694402371 /nfs/dbraw/zinc/40/23/71/694402371.db2.gz SHYSCFAMAFVZTA-UHFFFAOYSA-N 1 2 284.363 1.482 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cc1occc1C(=O)OC ZINC000852748832 694410226 /nfs/dbraw/zinc/41/02/26/694410226.db2.gz HXGUWVOSIITMAX-UHFFFAOYSA-N 1 2 265.309 1.538 20 30 CDEDLO C#CCC[N@H+](CCOC)Cc1occc1C(=O)OC ZINC000852748832 694410229 /nfs/dbraw/zinc/41/02/29/694410229.db2.gz HXGUWVOSIITMAX-UHFFFAOYSA-N 1 2 265.309 1.538 20 30 CDEDLO C#CC[C@H]([NH2+]Cc1nnc2n1CCOC2)c1ccccc1 ZINC000797978092 694434170 /nfs/dbraw/zinc/43/41/70/694434170.db2.gz MHSZXEUUHVXKQX-AWEZNQCLSA-N 1 2 282.347 1.663 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCC2(F)F)C1 ZINC001043035048 694440433 /nfs/dbraw/zinc/44/04/33/694440433.db2.gz WVGXWOUKCVFOIJ-LLVKDONJSA-N 1 2 258.312 1.750 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C)n(C)n2)C1 ZINC001042515341 694450262 /nfs/dbraw/zinc/45/02/62/694450262.db2.gz RVUGPMUWVGNAIE-UHFFFAOYSA-N 1 2 262.357 1.061 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000835370772 694451226 /nfs/dbraw/zinc/45/12/26/694451226.db2.gz JUTTWQQEXHOBOP-NSHDSACASA-N 1 2 265.288 1.395 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000835370772 694451231 /nfs/dbraw/zinc/45/12/31/694451231.db2.gz JUTTWQQEXHOBOP-NSHDSACASA-N 1 2 265.288 1.395 20 30 CDEDLO COC(=O)c1ccccc1N[NH+]=Cc1cnn(C)c1N ZINC000814894815 692130824 /nfs/dbraw/zinc/13/08/24/692130824.db2.gz RVOBACVZNZTCPY-UHFFFAOYSA-N 1 2 273.296 1.235 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NCC1(CC(N)=O)CC1 ZINC000853696063 692150887 /nfs/dbraw/zinc/15/08/87/692150887.db2.gz YTXRTRULOQUGPX-UHFFFAOYSA-N 1 2 287.363 1.941 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2CCC(O)CC2)C1 ZINC001042668218 692168755 /nfs/dbraw/zinc/16/87/55/692168755.db2.gz KISJORQIXWKNSL-UHFFFAOYSA-N 1 2 266.385 1.256 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001035617315 692197049 /nfs/dbraw/zinc/19/70/49/692197049.db2.gz RMUHGLXIJGOKGS-CKUJCDMFSA-N 1 2 292.423 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001035617315 692197057 /nfs/dbraw/zinc/19/70/57/692197057.db2.gz RMUHGLXIJGOKGS-CKUJCDMFSA-N 1 2 292.423 1.816 20 30 CDEDLO Cc1nc(CN2CC[NH+](CCO[C@H](C)C#N)CC2)oc1C ZINC000801918681 692214580 /nfs/dbraw/zinc/21/45/80/692214580.db2.gz VSSBSWLAGDPOLM-GFCCVEGCSA-N 1 2 292.383 1.338 20 30 CDEDLO COc1cccc(CN2CC[NH+](C[C@H](O)CC#N)CC2)c1 ZINC000931519277 692217605 /nfs/dbraw/zinc/21/76/05/692217605.db2.gz WGQQNLGXPDPGSN-OAHLLOKOSA-N 1 2 289.379 1.087 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2cc(F)ccc21 ZINC001038517511 692229508 /nfs/dbraw/zinc/22/95/08/692229508.db2.gz NFKZYJJHLREHQD-ZBFHGGJFSA-N 1 2 286.350 1.679 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2cc(F)ccc21 ZINC001038517511 692229512 /nfs/dbraw/zinc/22/95/12/692229512.db2.gz NFKZYJJHLREHQD-ZBFHGGJFSA-N 1 2 286.350 1.679 20 30 CDEDLO CCOC(=O)[C@@H](CC1CC1)[NH2+]C[C@H](O)CC1(C#N)CCC1 ZINC000886314278 692234687 /nfs/dbraw/zinc/23/46/87/692234687.db2.gz RMCQIEMQSPITFO-ZIAGYGMSSA-N 1 2 294.395 1.753 20 30 CDEDLO C#C[C@H]([NH2+]Cc1nc(CC)cc(=O)[nH]1)[C@@H]1CCCO1 ZINC000775791947 692259595 /nfs/dbraw/zinc/25/95/95/692259595.db2.gz XQIVYEILXPLANA-RYUDHWBXSA-N 1 2 261.325 1.015 20 30 CDEDLO CCn1c[nH+]cc1CN=Nc1ncnc2c1cnn2C ZINC000841618889 692260367 /nfs/dbraw/zinc/26/03/67/692260367.db2.gz XFHHHGPUNLWSKF-UHFFFAOYSA-N 1 2 270.300 1.026 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3cnccc3c2)C1 ZINC001031211024 692268479 /nfs/dbraw/zinc/26/84/79/692268479.db2.gz CXFAUMKUMDYVDE-UHFFFAOYSA-N 1 2 279.343 1.672 20 30 CDEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](CCF)[C@H]2C)nn1 ZINC000993948145 694517940 /nfs/dbraw/zinc/51/79/40/694517940.db2.gz HVLIHMCMVVNOII-NWDGAFQWSA-N 1 2 295.362 1.016 20 30 CDEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CCF)[C@H]2C)nn1 ZINC000993948145 694517953 /nfs/dbraw/zinc/51/79/53/694517953.db2.gz HVLIHMCMVVNOII-NWDGAFQWSA-N 1 2 295.362 1.016 20 30 CDEDLO CC1CCN(C(=O)CO[NH+]=C(N)c2ccccc2)CC1 ZINC000072807284 692326750 /nfs/dbraw/zinc/32/67/50/692326750.db2.gz KXZNXYLEGKTPBC-UHFFFAOYSA-N 1 2 275.352 1.582 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)n(C)c2C)C1 ZINC001035598304 692326889 /nfs/dbraw/zinc/32/68/89/692326889.db2.gz VTYHWZBSIDNGEG-CQSZACIVSA-N 1 2 291.395 1.259 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(C)n(C)c2C)C1 ZINC001035598304 692326894 /nfs/dbraw/zinc/32/68/94/692326894.db2.gz VTYHWZBSIDNGEG-CQSZACIVSA-N 1 2 291.395 1.259 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc(C)c1)CO2 ZINC001053729713 692371829 /nfs/dbraw/zinc/37/18/29/692371829.db2.gz QVRDNLFZXPNFQO-INIZCTEOSA-N 1 2 298.386 1.591 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cnn(C)c1 ZINC001024322389 692423996 /nfs/dbraw/zinc/42/39/96/692423996.db2.gz SPUMAQZNPCZYEW-ZDUSSCGKSA-N 1 2 296.802 1.757 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cnn(C)c1 ZINC001024322389 692424002 /nfs/dbraw/zinc/42/40/02/692424002.db2.gz SPUMAQZNPCZYEW-ZDUSSCGKSA-N 1 2 296.802 1.757 20 30 CDEDLO N#Cc1ccc(C[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)cc1 ZINC000865414770 692425685 /nfs/dbraw/zinc/42/56/85/692425685.db2.gz BSYFVAZVBKPQRH-INIZCTEOSA-N 1 2 297.362 1.619 20 30 CDEDLO CN1CCc2cc(C=[NH+]Nc3cncnc3)ccc21 ZINC000794976248 692428137 /nfs/dbraw/zinc/42/81/37/692428137.db2.gz HLMOUSZJPUCIRF-UHFFFAOYSA-N 1 2 253.309 1.915 20 30 CDEDLO C=CCCC(=O)O[C@@H](COC)C[N@@H+]1CCO[C@@H](C)C1 ZINC000842972518 692443404 /nfs/dbraw/zinc/44/34/04/692443404.db2.gz XPSLPVZWQCAWIR-QWHCGFSZSA-N 1 2 271.357 1.232 20 30 CDEDLO C=CCCC(=O)O[C@@H](COC)C[N@H+]1CCO[C@@H](C)C1 ZINC000842972518 692443410 /nfs/dbraw/zinc/44/34/10/692443410.db2.gz XPSLPVZWQCAWIR-QWHCGFSZSA-N 1 2 271.357 1.232 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2sc(Cl)nc2C)C1 ZINC001007421469 694529142 /nfs/dbraw/zinc/52/91/42/694529142.db2.gz UOTUFYROTLSFOF-JTQLQIEISA-N 1 2 297.811 1.932 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2sc(Cl)nc2C)C1 ZINC001007421469 694529157 /nfs/dbraw/zinc/52/91/57/694529157.db2.gz UOTUFYROTLSFOF-JTQLQIEISA-N 1 2 297.811 1.932 20 30 CDEDLO C[C@@H]1CN=C(N2CC[NH+](CCCC#N)CC2)S1 ZINC000175804972 692518475 /nfs/dbraw/zinc/51/84/75/692518475.db2.gz VDIULSUECRAYMW-LLVKDONJSA-N 1 2 252.387 1.399 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnc(C)[nH]1 ZINC001050844963 692525111 /nfs/dbraw/zinc/52/51/11/692525111.db2.gz ODSGZLJJFIVYPO-CYBMUJFWSA-N 1 2 292.383 1.115 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cnc(C)[nH]1 ZINC001050844963 692525114 /nfs/dbraw/zinc/52/51/14/692525114.db2.gz ODSGZLJJFIVYPO-CYBMUJFWSA-N 1 2 292.383 1.115 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1occ2c1CCOC2 ZINC001038558800 692541466 /nfs/dbraw/zinc/54/14/66/692541466.db2.gz PPYCYPDZFACWSF-CYBMUJFWSA-N 1 2 288.347 1.180 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1occ2c1CCOC2 ZINC001038558800 692541472 /nfs/dbraw/zinc/54/14/72/692541472.db2.gz PPYCYPDZFACWSF-CYBMUJFWSA-N 1 2 288.347 1.180 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000782443801 692541673 /nfs/dbraw/zinc/54/16/73/692541673.db2.gz QGAAWZSSCZEDHN-LZWOXQAQSA-N 1 2 297.395 1.622 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000782443801 692541677 /nfs/dbraw/zinc/54/16/77/692541677.db2.gz QGAAWZSSCZEDHN-LZWOXQAQSA-N 1 2 297.395 1.622 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@]2(C)CC=CCC2)C1 ZINC001042782969 692555095 /nfs/dbraw/zinc/55/50/95/692555095.db2.gz MUSSANGZSRCWAT-MRXNPFEDSA-N 1 2 260.381 1.899 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001016443673 692561877 /nfs/dbraw/zinc/56/18/77/692561877.db2.gz OPDJBQBYGUJTKA-WCQYABFASA-N 1 2 296.802 1.467 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001016443673 692561879 /nfs/dbraw/zinc/56/18/79/692561879.db2.gz OPDJBQBYGUJTKA-WCQYABFASA-N 1 2 296.802 1.467 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C2CCCCC2)C1 ZINC001035267586 692562971 /nfs/dbraw/zinc/56/29/71/692562971.db2.gz MQLGJTWTOOGYLV-OAHLLOKOSA-N 1 2 280.412 1.960 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C2CCCCC2)C1 ZINC001035267586 692562974 /nfs/dbraw/zinc/56/29/74/692562974.db2.gz MQLGJTWTOOGYLV-OAHLLOKOSA-N 1 2 280.412 1.960 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C2CC2)nc1C ZINC001032633202 692584896 /nfs/dbraw/zinc/58/48/96/692584896.db2.gz VSEZBAZILIJEOK-GJZGRUSLSA-N 1 2 295.386 1.799 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C2CC2)nc1C ZINC001032633202 692584902 /nfs/dbraw/zinc/58/49/02/692584902.db2.gz VSEZBAZILIJEOK-GJZGRUSLSA-N 1 2 295.386 1.799 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001030619100 692605203 /nfs/dbraw/zinc/60/52/03/692605203.db2.gz JBJKDUNDZGDFJK-UHFFFAOYSA-N 1 2 269.348 1.396 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(C(F)F)n1 ZINC001038304162 692616348 /nfs/dbraw/zinc/61/63/48/692616348.db2.gz RJGHUJZJONGOBD-SNVBAGLBSA-N 1 2 282.294 1.106 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(C(F)F)n1 ZINC001038304162 692616363 /nfs/dbraw/zinc/61/63/63/692616363.db2.gz RJGHUJZJONGOBD-SNVBAGLBSA-N 1 2 282.294 1.106 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CF)cc1 ZINC001032808289 692624960 /nfs/dbraw/zinc/62/49/60/692624960.db2.gz RCQKITQLYCGAET-GJZGRUSLSA-N 1 2 272.323 1.688 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CF)cc1 ZINC001032808289 692624963 /nfs/dbraw/zinc/62/49/63/692624963.db2.gz RCQKITQLYCGAET-GJZGRUSLSA-N 1 2 272.323 1.688 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001050868819 692688723 /nfs/dbraw/zinc/68/87/23/692688723.db2.gz NWOVIFQNWWOOBO-GJZGRUSLSA-N 1 2 296.411 1.339 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001050868819 692688737 /nfs/dbraw/zinc/68/87/37/692688737.db2.gz NWOVIFQNWWOOBO-GJZGRUSLSA-N 1 2 296.411 1.339 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)c(F)c1 ZINC001032457582 692688918 /nfs/dbraw/zinc/68/89/18/692688918.db2.gz GNRCAOMFFZVUMQ-STQMWFEESA-N 1 2 288.322 1.366 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)c(F)c1 ZINC001032457582 692688941 /nfs/dbraw/zinc/68/89/41/692688941.db2.gz GNRCAOMFFZVUMQ-STQMWFEESA-N 1 2 288.322 1.366 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc(CCC)n[nH]2)C1 ZINC001031889953 692697125 /nfs/dbraw/zinc/69/71/25/692697125.db2.gz ZHLJSFMGIDJQRZ-UHFFFAOYSA-N 1 2 296.802 1.776 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccnnc2)C1 ZINC001033454091 692752042 /nfs/dbraw/zinc/75/20/42/692752042.db2.gz STWWIJTWSKSVMC-GFCCVEGCSA-N 1 2 280.759 1.375 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnnc2)C1 ZINC001033454091 692752062 /nfs/dbraw/zinc/75/20/62/692752062.db2.gz STWWIJTWSKSVMC-GFCCVEGCSA-N 1 2 280.759 1.375 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc[nH]2)C1 ZINC001046139643 692759061 /nfs/dbraw/zinc/75/90/61/692759061.db2.gz LIRCVDRJRAUOCU-CYBMUJFWSA-N 1 2 267.760 1.961 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc[nH]2)C1 ZINC001046139643 692759072 /nfs/dbraw/zinc/75/90/72/692759072.db2.gz LIRCVDRJRAUOCU-CYBMUJFWSA-N 1 2 267.760 1.961 20 30 CDEDLO COC(=O)c1ccccc1N[NH+]=Cc1cccnc1N ZINC000776188473 694552208 /nfs/dbraw/zinc/55/22/08/694552208.db2.gz SFHGHUPHWNNKTK-UHFFFAOYSA-N 1 2 270.292 1.896 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(COC)o1 ZINC001032509281 692803281 /nfs/dbraw/zinc/80/32/81/692803281.db2.gz ARAYHPUKZBBOKQ-RYUDHWBXSA-N 1 2 276.336 1.511 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(COC)o1 ZINC001032509281 692803289 /nfs/dbraw/zinc/80/32/89/692803289.db2.gz ARAYHPUKZBBOKQ-RYUDHWBXSA-N 1 2 276.336 1.511 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn2ccccc12 ZINC001038819621 692804954 /nfs/dbraw/zinc/80/49/54/692804954.db2.gz GSPKHWKHDUGBCH-CYBMUJFWSA-N 1 2 282.347 1.162 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn2ccccc12 ZINC001038819621 692804955 /nfs/dbraw/zinc/80/49/55/692804955.db2.gz GSPKHWKHDUGBCH-CYBMUJFWSA-N 1 2 282.347 1.162 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OC(C)C)cc1 ZINC001038986287 692816223 /nfs/dbraw/zinc/81/62/23/692816223.db2.gz RCPWIAZNONQJHE-OAHLLOKOSA-N 1 2 286.375 1.911 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OC(C)C)cc1 ZINC001038986287 692816224 /nfs/dbraw/zinc/81/62/24/692816224.db2.gz RCPWIAZNONQJHE-OAHLLOKOSA-N 1 2 286.375 1.911 20 30 CDEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C3CC3)C2)CC1 ZINC001051963787 694554301 /nfs/dbraw/zinc/55/43/01/694554301.db2.gz BVIAJAUKFAFGQA-HNNXBMFYSA-N 1 2 277.412 1.191 20 30 CDEDLO N#CC1(C[C@H](O)C[N@@H+]2CCO[C@@H](C(=O)C3CC3)C2)CCC1 ZINC000886141171 692822885 /nfs/dbraw/zinc/82/28/85/692822885.db2.gz YWZBVFHYTCNOOZ-UONOGXRCSA-N 1 2 292.379 1.111 20 30 CDEDLO N#CC1(C[C@H](O)C[N@H+]2CCO[C@@H](C(=O)C3CC3)C2)CCC1 ZINC000886141171 692822889 /nfs/dbraw/zinc/82/28/89/692822889.db2.gz YWZBVFHYTCNOOZ-UONOGXRCSA-N 1 2 292.379 1.111 20 30 CDEDLO C#CC[N@H+](CC(=O)NCC(=O)c1cccs1)C(C)C ZINC000932388391 692828417 /nfs/dbraw/zinc/82/84/17/692828417.db2.gz IPEQAMASKAZZHX-UHFFFAOYSA-N 1 2 278.377 1.391 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCC(=O)c1cccs1)C(C)C ZINC000932388391 692828418 /nfs/dbraw/zinc/82/84/18/692828418.db2.gz IPEQAMASKAZZHX-UHFFFAOYSA-N 1 2 278.377 1.391 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3nccnc3c2)C1 ZINC001044273586 692828711 /nfs/dbraw/zinc/82/87/11/692828711.db2.gz XBDFDVQXSMFOPS-UHFFFAOYSA-N 1 2 294.358 1.409 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCOC3(C[NH+](C(C)C)C3)C2)cc1 ZINC001053370202 692831409 /nfs/dbraw/zinc/83/14/09/692831409.db2.gz ZLXGXTUWVLNRRX-UHFFFAOYSA-N 1 2 298.386 1.603 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)n(C(C)(C)C)n2)C1 ZINC001031396806 692839747 /nfs/dbraw/zinc/83/97/47/692839747.db2.gz AGUNBPCZIHAMME-UHFFFAOYSA-N 1 2 288.395 1.384 20 30 CDEDLO CCO[C@H]1CC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000932973544 692844337 /nfs/dbraw/zinc/84/43/37/692844337.db2.gz KLVPOKPYBMMPGJ-KBPBESRZSA-N 1 2 273.336 1.195 20 30 CDEDLO CCO[C@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000932973544 692844338 /nfs/dbraw/zinc/84/43/38/692844338.db2.gz KLVPOKPYBMMPGJ-KBPBESRZSA-N 1 2 273.336 1.195 20 30 CDEDLO C[C@@H]1CC[N@H+](CCCC#N)C[C@@H]1NC(=O)C(F)(F)F ZINC000852756433 692847730 /nfs/dbraw/zinc/84/77/30/692847730.db2.gz ITPJCVAYOVHSOX-ZJUUUORDSA-N 1 2 277.290 1.679 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1ncc(C2OCCO2)s1)[C@@H]1CCCO1 ZINC000809642250 692848040 /nfs/dbraw/zinc/84/80/40/692848040.db2.gz FAWDXFDMIRKCRK-MNOVXSKESA-N 1 2 294.376 1.459 20 30 CDEDLO COc1ccc(C[NH2+][C@@H](C)c2cc(CO)on2)cc1C#N ZINC000925585297 692860807 /nfs/dbraw/zinc/86/08/07/692860807.db2.gz SZDIGLXJDICVQO-JTQLQIEISA-N 1 2 287.319 1.898 20 30 CDEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCO[C@@H](C)C#N ZINC000829660907 692861089 /nfs/dbraw/zinc/86/10/89/692861089.db2.gz IBMXMUHMBYTDIZ-WFASDCNBSA-N 1 2 287.363 1.088 20 30 CDEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCO[C@@H](C)C#N ZINC000829660907 692861091 /nfs/dbraw/zinc/86/10/91/692861091.db2.gz IBMXMUHMBYTDIZ-WFASDCNBSA-N 1 2 287.363 1.088 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnco3)C[C@H]21 ZINC001042168731 692863012 /nfs/dbraw/zinc/86/30/12/692863012.db2.gz APSWCAHXYFXFOO-VXGBXAGGSA-N 1 2 295.770 1.964 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cnco3)C[C@H]21 ZINC001042168731 692863013 /nfs/dbraw/zinc/86/30/13/692863013.db2.gz APSWCAHXYFXFOO-VXGBXAGGSA-N 1 2 295.770 1.964 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(C)=O)cc1C#N ZINC001038000519 692979450 /nfs/dbraw/zinc/97/94/50/692979450.db2.gz CDQGJFFFIDKHKN-CQSZACIVSA-N 1 2 273.336 1.277 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(C)=O)cc1C#N ZINC001038000519 692979456 /nfs/dbraw/zinc/97/94/56/692979456.db2.gz CDQGJFFFIDKHKN-CQSZACIVSA-N 1 2 273.336 1.277 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001051143141 693046232 /nfs/dbraw/zinc/04/62/32/693046232.db2.gz WUOXFPNJDVOSJN-KGLIPLIRSA-N 1 2 278.396 1.570 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001051143141 693046236 /nfs/dbraw/zinc/04/62/36/693046236.db2.gz WUOXFPNJDVOSJN-KGLIPLIRSA-N 1 2 278.396 1.570 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001043411463 693049571 /nfs/dbraw/zinc/04/95/71/693049571.db2.gz BOMQUSFDQVSFEI-KGLIPLIRSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001035445381 693058673 /nfs/dbraw/zinc/05/86/73/693058673.db2.gz GKQIWJUOUVMVDA-BFHYXJOUSA-N 1 2 280.412 1.672 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001035445381 693058675 /nfs/dbraw/zinc/05/86/75/693058675.db2.gz GKQIWJUOUVMVDA-BFHYXJOUSA-N 1 2 280.412 1.672 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2c[nH]nc21 ZINC001038579463 693085316 /nfs/dbraw/zinc/08/53/16/693085316.db2.gz XRWMBMPIQATWEG-LBPRGKRZSA-N 1 2 268.320 1.000 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2c[nH]nc21 ZINC001038579463 693085318 /nfs/dbraw/zinc/08/53/18/693085318.db2.gz XRWMBMPIQATWEG-LBPRGKRZSA-N 1 2 268.320 1.000 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2nc3c(s2)CCC3)C1 ZINC001015272018 694579830 /nfs/dbraw/zinc/57/98/30/694579830.db2.gz KPCWXFRANUJEDQ-LLVKDONJSA-N 1 2 289.404 1.459 20 30 CDEDLO C=C(C)CONC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000845606846 693097734 /nfs/dbraw/zinc/09/77/34/693097734.db2.gz KBWWALSQDGHJMZ-GFCCVEGCSA-N 1 2 278.356 1.817 20 30 CDEDLO CCCCCNC(=O)[C@@H](C#N)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845444149 693112208 /nfs/dbraw/zinc/11/22/08/693112208.db2.gz LIWBWQPKLNNDMT-OLZOCXBDSA-N 1 2 290.367 1.849 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C2C=CC=CC=C2)C1 ZINC001035381716 693126201 /nfs/dbraw/zinc/12/62/01/693126201.db2.gz STGGEZIAGGHVJJ-MRXNPFEDSA-N 1 2 288.391 1.678 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C2C=CC=CC=C2)C1 ZINC001035381716 693126207 /nfs/dbraw/zinc/12/62/07/693126207.db2.gz STGGEZIAGGHVJJ-MRXNPFEDSA-N 1 2 288.391 1.678 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001008437832 693137789 /nfs/dbraw/zinc/13/77/89/693137789.db2.gz QBOARHNAIPQLAX-ZDUSSCGKSA-N 1 2 293.411 1.012 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001008437832 693137797 /nfs/dbraw/zinc/13/77/97/693137797.db2.gz QBOARHNAIPQLAX-ZDUSSCGKSA-N 1 2 293.411 1.012 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2nc3c(s2)CCC3)C1 ZINC001015272018 694579847 /nfs/dbraw/zinc/57/98/47/694579847.db2.gz KPCWXFRANUJEDQ-LLVKDONJSA-N 1 2 289.404 1.459 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(COC)cc2)C1 ZINC001031373269 693158988 /nfs/dbraw/zinc/15/89/88/693158988.db2.gz LLRMDEQDJIWERU-UHFFFAOYSA-N 1 2 272.348 1.270 20 30 CDEDLO CC[C@@H](CO[NH+]=C(N)c1ccc(OC)cc1)OC ZINC000842022221 693163839 /nfs/dbraw/zinc/16/38/39/693163839.db2.gz XQSLNBPNJZQTOY-NSHDSACASA-N 1 2 252.314 1.757 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@](C)(c2ccccc2F)C1=O ZINC000872600544 693201739 /nfs/dbraw/zinc/20/17/39/693201739.db2.gz HETMORCYHZMBHI-MLGOLLRUSA-N 1 2 274.339 1.837 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@](C)(c2ccccc2F)C1=O ZINC000872600544 693201744 /nfs/dbraw/zinc/20/17/44/693201744.db2.gz HETMORCYHZMBHI-MLGOLLRUSA-N 1 2 274.339 1.837 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1nocc1C ZINC001028246868 694637607 /nfs/dbraw/zinc/63/76/07/694637607.db2.gz CKFUDLAFUGGNEQ-NSHDSACASA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1nocc1C ZINC001028246868 694637608 /nfs/dbraw/zinc/63/76/08/694637608.db2.gz CKFUDLAFUGGNEQ-NSHDSACASA-N 1 2 283.759 1.930 20 30 CDEDLO C=CCN1CCN(C[N@H+]2C[C@@H](CC)OC[C@@H]2CC)C1=O ZINC000844724059 693231483 /nfs/dbraw/zinc/23/14/83/693231483.db2.gz TXKYYKAGRMHTAV-UONOGXRCSA-N 1 2 281.400 1.757 20 30 CDEDLO C=CCN1CCN(C[N@@H+]2C[C@@H](CC)OC[C@@H]2CC)C1=O ZINC000844724059 693231486 /nfs/dbraw/zinc/23/14/86/693231486.db2.gz TXKYYKAGRMHTAV-UONOGXRCSA-N 1 2 281.400 1.757 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC001031115401 693233003 /nfs/dbraw/zinc/23/30/03/693233003.db2.gz FQJWFIRLQKOBCJ-JTQLQIEISA-N 1 2 276.384 1.507 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC(C)C)C(C)C ZINC000884090399 693279422 /nfs/dbraw/zinc/27/94/22/693279422.db2.gz SHGBJAHHODOLFC-LBPRGKRZSA-N 1 2 270.373 1.326 20 30 CDEDLO C#C[C@@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000826547693 693359767 /nfs/dbraw/zinc/35/97/67/693359767.db2.gz DCXRAEZKMZIJHT-LSDHHAIUSA-N 1 2 294.358 1.872 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cccnn2)CC[C@H]1C ZINC001071923555 693333097 /nfs/dbraw/zinc/33/30/97/693333097.db2.gz KFWDJRALLDSAJZ-NEPJUHHUSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cccnn2)CC[C@H]1C ZINC001071923555 693333102 /nfs/dbraw/zinc/33/31/02/693333102.db2.gz KFWDJRALLDSAJZ-NEPJUHHUSA-N 1 2 294.786 1.812 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC12CC2 ZINC001032472564 693333767 /nfs/dbraw/zinc/33/37/67/693333767.db2.gz YBZJXVBLNPDPKG-KKUMJFAQSA-N 1 2 272.392 1.875 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC12CC2 ZINC001032472564 693333775 /nfs/dbraw/zinc/33/37/75/693333775.db2.gz YBZJXVBLNPDPKG-KKUMJFAQSA-N 1 2 272.392 1.875 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cn3c(n2)CCCC3)C1 ZINC001042832483 694645199 /nfs/dbraw/zinc/64/51/99/694645199.db2.gz HLMWMBJGEJMWLK-UHFFFAOYSA-N 1 2 288.395 1.552 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2[nH]ccc2C2CC2)C1 ZINC001042883128 694647969 /nfs/dbraw/zinc/64/79/69/694647969.db2.gz VIEMZOFGXCCXRG-UHFFFAOYSA-N 1 2 271.364 1.672 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC12CCCC2 ZINC001032718367 693386729 /nfs/dbraw/zinc/38/67/29/693386729.db2.gz RXOALAADFHHQMD-SOUVJXGZSA-N 1 2 272.392 1.875 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC12CCCC2 ZINC001032718367 693386734 /nfs/dbraw/zinc/38/67/34/693386734.db2.gz RXOALAADFHHQMD-SOUVJXGZSA-N 1 2 272.392 1.875 20 30 CDEDLO C[N@@H+](CC1=CCCOC1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000853562481 693397474 /nfs/dbraw/zinc/39/74/74/693397474.db2.gz QKBDMOITFWJTBJ-UHFFFAOYSA-N 1 2 299.374 1.445 20 30 CDEDLO C[N@H+](CC1=CCCOC1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000853562481 693397480 /nfs/dbraw/zinc/39/74/80/693397480.db2.gz QKBDMOITFWJTBJ-UHFFFAOYSA-N 1 2 299.374 1.445 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccccc1Cl ZINC000884046527 693399413 /nfs/dbraw/zinc/39/94/13/693399413.db2.gz IMPPUVRYVHHQJU-LBPRGKRZSA-N 1 2 296.754 1.403 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)nc1 ZINC000857944104 694686807 /nfs/dbraw/zinc/68/68/07/694686807.db2.gz IWEFHHBXUCJJNU-LBPRGKRZSA-N 1 2 266.304 1.004 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccncc1CC ZINC001038430878 694699614 /nfs/dbraw/zinc/69/96/14/694699614.db2.gz XOASKLMGDAAEHH-CQSZACIVSA-N 1 2 271.364 1.471 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccncc1CC ZINC001038430878 694699617 /nfs/dbraw/zinc/69/96/17/694699617.db2.gz XOASKLMGDAAEHH-CQSZACIVSA-N 1 2 271.364 1.471 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2OCC[C@H]2C)C1 ZINC001033435560 694704515 /nfs/dbraw/zinc/70/45/15/694704515.db2.gz QZIYZCGVVZRYAP-RTXFEEFZSA-N 1 2 286.803 1.697 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2OCC[C@H]2C)C1 ZINC001033435560 694704525 /nfs/dbraw/zinc/70/45/25/694704525.db2.gz QZIYZCGVVZRYAP-RTXFEEFZSA-N 1 2 286.803 1.697 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC001030879564 694713527 /nfs/dbraw/zinc/71/35/27/694713527.db2.gz MERRXQYABRXLTJ-UHFFFAOYSA-N 1 2 297.358 1.614 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC001038555711 694730105 /nfs/dbraw/zinc/73/01/05/694730105.db2.gz NQLCVNYWLZRQOC-CYBMUJFWSA-N 1 2 274.368 1.291 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC001038555711 694730108 /nfs/dbraw/zinc/73/01/08/694730108.db2.gz NQLCVNYWLZRQOC-CYBMUJFWSA-N 1 2 274.368 1.291 20 30 CDEDLO C=CCOCCCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845284511 694771462 /nfs/dbraw/zinc/77/14/62/694771462.db2.gz MWFHPBRPOAQMGD-GFCCVEGCSA-N 1 2 252.314 1.970 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 ZINC001074236046 694744060 /nfs/dbraw/zinc/74/40/60/694744060.db2.gz LKBDZLWJPWGINM-JKSUJKDBSA-N 1 2 288.391 1.278 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 ZINC001074236046 694744065 /nfs/dbraw/zinc/74/40/65/694744065.db2.gz LKBDZLWJPWGINM-JKSUJKDBSA-N 1 2 288.391 1.278 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2scnc2Cl)C1 ZINC000923585107 694810307 /nfs/dbraw/zinc/81/03/07/694810307.db2.gz KDLUKTGNPKNRCM-SECBINFHSA-N 1 2 283.784 1.624 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2scnc2Cl)C1 ZINC000923585107 694810308 /nfs/dbraw/zinc/81/03/08/694810308.db2.gz KDLUKTGNPKNRCM-SECBINFHSA-N 1 2 283.784 1.624 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(F)nc2)C1=O ZINC000798957165 694798258 /nfs/dbraw/zinc/79/82/58/694798258.db2.gz XCPUIRXYPUXOMG-LBPRGKRZSA-N 1 2 263.316 1.439 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(F)nc2)C1=O ZINC000798957165 694798265 /nfs/dbraw/zinc/79/82/65/694798265.db2.gz XCPUIRXYPUXOMG-LBPRGKRZSA-N 1 2 263.316 1.439 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cocn1 ZINC001027779633 694800105 /nfs/dbraw/zinc/80/01/05/694800105.db2.gz ZEKZOOXOMDDZHM-SNVBAGLBSA-N 1 2 269.732 1.621 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cocn1 ZINC001027779633 694800106 /nfs/dbraw/zinc/80/01/06/694800106.db2.gz ZEKZOOXOMDDZHM-SNVBAGLBSA-N 1 2 269.732 1.621 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cccc(C(=O)N(C)C)c2)nn1 ZINC000922198073 694805497 /nfs/dbraw/zinc/80/54/97/694805497.db2.gz MOOFRJGUMHPOQW-UHFFFAOYSA-N 1 2 299.378 1.456 20 30 CDEDLO Cn1nncc1N[NH+]=C1CCCc2cc(N)ccc21 ZINC000834983909 694805801 /nfs/dbraw/zinc/80/58/01/694805801.db2.gz XBNLNJUNGSWGDC-UHFFFAOYSA-N 1 2 256.313 1.550 20 30 CDEDLO CC(C)(F)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004327577 694806604 /nfs/dbraw/zinc/80/66/04/694806604.db2.gz RYRYMOIAUABZJG-CYBMUJFWSA-N 1 2 281.375 1.961 20 30 CDEDLO CC(C)(F)C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004327577 694806605 /nfs/dbraw/zinc/80/66/05/694806605.db2.gz RYRYMOIAUABZJG-CYBMUJFWSA-N 1 2 281.375 1.961 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C)co1)O2 ZINC001053647176 694823414 /nfs/dbraw/zinc/82/34/14/694823414.db2.gz OHVAHVFWBWPUMH-CYBMUJFWSA-N 1 2 290.363 1.737 20 30 CDEDLO C#CCOc1ccccc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000807275507 694825273 /nfs/dbraw/zinc/82/52/73/694825273.db2.gz HGUOGJOAFXLMMW-UHFFFAOYSA-N 1 2 269.304 1.993 20 30 CDEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C(C)(C)C=C)CC1 ZINC001070985175 694826475 /nfs/dbraw/zinc/82/64/75/694826475.db2.gz IOXHLXXLSKCMNJ-UHFFFAOYSA-N 1 2 293.411 1.035 20 30 CDEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C(C)(C)C=C)CC1 ZINC001070985175 694826476 /nfs/dbraw/zinc/82/64/76/694826476.db2.gz IOXHLXXLSKCMNJ-UHFFFAOYSA-N 1 2 293.411 1.035 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cscn2)C1 ZINC001015800222 694596361 /nfs/dbraw/zinc/59/63/61/694596361.db2.gz NAXVOHIWQKNUHQ-JTQLQIEISA-N 1 2 285.800 1.629 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cscn2)C1 ZINC001015800222 694596366 /nfs/dbraw/zinc/59/63/66/694596366.db2.gz NAXVOHIWQKNUHQ-JTQLQIEISA-N 1 2 285.800 1.629 20 30 CDEDLO C[C@@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)c1ncccn1 ZINC000882986450 694598858 /nfs/dbraw/zinc/59/88/58/694598858.db2.gz YROVVDSUEAJZLA-SNVBAGLBSA-N 1 2 284.319 1.810 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)c3ccccc32)C1 ZINC000923564415 694615626 /nfs/dbraw/zinc/61/56/26/694615626.db2.gz QVSGQSQOMLFSSW-XJKSGUPXSA-N 1 2 296.370 1.570 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)c3ccccc32)C1 ZINC000923564415 694615637 /nfs/dbraw/zinc/61/56/37/694615637.db2.gz QVSGQSQOMLFSSW-XJKSGUPXSA-N 1 2 296.370 1.570 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001017837305 694620095 /nfs/dbraw/zinc/62/00/95/694620095.db2.gz QMXVZUZNGGDKTA-RRACKEQVSA-N 1 2 272.392 1.731 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001017837305 694620100 /nfs/dbraw/zinc/62/01/00/694620100.db2.gz QMXVZUZNGGDKTA-RRACKEQVSA-N 1 2 272.392 1.731 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(C)cc1C ZINC000884044700 694622229 /nfs/dbraw/zinc/62/22/29/694622229.db2.gz RNSMIJSMJYEOGZ-LBPRGKRZSA-N 1 2 276.336 1.689 20 30 CDEDLO CC(C)(C)NC(=S)NN=C1CCCc2[nH+]c(N)ccc21 ZINC000834928295 694636854 /nfs/dbraw/zinc/63/68/54/694636854.db2.gz LSVXPOQWQUARCO-UHFFFAOYSA-N 1 2 291.424 1.967 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(CC)(CC)OC ZINC000814166884 694638660 /nfs/dbraw/zinc/63/86/60/694638660.db2.gz SNMOZMUKTUJKKI-ZDUSSCGKSA-N 1 2 266.385 1.405 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(CC)(CC)OC ZINC000814166884 694638661 /nfs/dbraw/zinc/63/86/61/694638661.db2.gz SNMOZMUKTUJKKI-ZDUSSCGKSA-N 1 2 266.385 1.405 20 30 CDEDLO N#CCCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425272865 694695314 /nfs/dbraw/zinc/69/53/14/694695314.db2.gz HJGLKDJLKKVYKS-CYBMUJFWSA-N 1 2 268.320 1.962 20 30 CDEDLO CC#CC[C@H](CO)[NH2+]Cc1cccc(Cl)c1O ZINC000717732335 694703761 /nfs/dbraw/zinc/70/37/61/694703761.db2.gz HWKQDGUJTVGCTB-LLVKDONJSA-N 1 2 253.729 1.910 20 30 CDEDLO CO[C@H]1CC[N@H+](Cn2ccc(C)c(C#N)c2=O)CC1(C)C ZINC000840123422 694747592 /nfs/dbraw/zinc/74/75/92/694747592.db2.gz HTUKYMNKCNVMME-AWEZNQCLSA-N 1 2 289.379 1.733 20 30 CDEDLO CO[C@H]1CC[N@@H+](Cn2ccc(C)c(C#N)c2=O)CC1(C)C ZINC000840123422 694747594 /nfs/dbraw/zinc/74/75/94/694747594.db2.gz HTUKYMNKCNVMME-AWEZNQCLSA-N 1 2 289.379 1.733 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC000837494998 694750706 /nfs/dbraw/zinc/75/07/06/694750706.db2.gz LEGGGFMCUOHPNF-LBPRGKRZSA-N 1 2 259.353 1.786 20 30 CDEDLO N#Cc1cc(C(=O)N2CCC[N@@H+](CCF)CC2)c[nH]1 ZINC000981001759 694776055 /nfs/dbraw/zinc/77/60/55/694776055.db2.gz RGZWFXCNXILSHB-UHFFFAOYSA-N 1 2 264.304 1.004 20 30 CDEDLO N#Cc1cc(C(=O)N2CCC[N@H+](CCF)CC2)c[nH]1 ZINC000981001759 694776056 /nfs/dbraw/zinc/77/60/56/694776056.db2.gz RGZWFXCNXILSHB-UHFFFAOYSA-N 1 2 264.304 1.004 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3ncccc32)C1 ZINC001030760997 694786962 /nfs/dbraw/zinc/78/69/62/694786962.db2.gz HRRMBOYPYSTGMY-UHFFFAOYSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3=CCCC3)C[C@H]21 ZINC001074215633 694808929 /nfs/dbraw/zinc/80/89/29/694808929.db2.gz LEVMADZMEVEUHN-HZPDHXFCSA-N 1 2 288.391 1.422 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3=CCCC3)C[C@H]21 ZINC001074215633 694808930 /nfs/dbraw/zinc/80/89/30/694808930.db2.gz LEVMADZMEVEUHN-HZPDHXFCSA-N 1 2 288.391 1.422 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccoc1Cl ZINC001050889415 694811395 /nfs/dbraw/zinc/81/13/95/694811395.db2.gz PWLLCAUDNKVLFR-LLVKDONJSA-N 1 2 298.770 1.940 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccoc1Cl ZINC001050889415 694811396 /nfs/dbraw/zinc/81/13/96/694811396.db2.gz PWLLCAUDNKVLFR-LLVKDONJSA-N 1 2 298.770 1.940 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1OCC[C@H]1CC ZINC001017631090 694813359 /nfs/dbraw/zinc/81/33/59/694813359.db2.gz FTKKOXCYVQWHEM-KBXIAJHMSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1OCC[C@H]1CC ZINC001017631090 694813360 /nfs/dbraw/zinc/81/33/60/694813360.db2.gz FTKKOXCYVQWHEM-KBXIAJHMSA-N 1 2 276.380 1.110 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1oc(C)cc1C ZINC001050856216 694816814 /nfs/dbraw/zinc/81/68/14/694816814.db2.gz DRHCOIBXHUEHPU-CQSZACIVSA-N 1 2 292.379 1.903 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1oc(C)cc1C ZINC001050856216 694816815 /nfs/dbraw/zinc/81/68/15/694816815.db2.gz DRHCOIBXHUEHPU-CQSZACIVSA-N 1 2 292.379 1.903 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(C)c3)[C@@H]2C1 ZINC001075533663 694819239 /nfs/dbraw/zinc/81/92/39/694819239.db2.gz BDXOSRNANJFZRX-WCQYABFASA-N 1 2 294.786 1.319 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(C)c3)[C@@H]2C1 ZINC001075533663 694819241 /nfs/dbraw/zinc/81/92/41/694819241.db2.gz BDXOSRNANJFZRX-WCQYABFASA-N 1 2 294.786 1.319 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCC2(F)F)C1 ZINC001031760723 694822302 /nfs/dbraw/zinc/82/23/02/694822302.db2.gz NQLMJVZGOUYDGS-JTQLQIEISA-N 1 2 278.730 1.832 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ncccc1OCC ZINC001039089332 694824358 /nfs/dbraw/zinc/82/43/58/694824358.db2.gz NDPUWNMUPMIYIL-ZDUSSCGKSA-N 1 2 287.363 1.308 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncccc1OCC ZINC001039089332 694824359 /nfs/dbraw/zinc/82/43/59/694824359.db2.gz NDPUWNMUPMIYIL-ZDUSSCGKSA-N 1 2 287.363 1.308 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2oc(CC)nc2C)C1 ZINC001031202660 694825563 /nfs/dbraw/zinc/82/55/63/694825563.db2.gz UCJZNCSOLXBOME-UHFFFAOYSA-N 1 2 263.341 1.536 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001039388768 694856558 /nfs/dbraw/zinc/85/65/58/694856558.db2.gz IRKZWCZCGLSBHK-LXTVHRRPSA-N 1 2 298.390 1.212 20 30 CDEDLO C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001039388768 694856559 /nfs/dbraw/zinc/85/65/59/694856559.db2.gz IRKZWCZCGLSBHK-LXTVHRRPSA-N 1 2 298.390 1.212 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(OC)c1C ZINC001017659963 694857614 /nfs/dbraw/zinc/85/76/14/694857614.db2.gz DLHVWKKVUMHPQQ-OKILXGFUSA-N 1 2 299.374 1.321 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(OC)c1C ZINC001017659963 694857615 /nfs/dbraw/zinc/85/76/15/694857615.db2.gz DLHVWKKVUMHPQQ-OKILXGFUSA-N 1 2 299.374 1.321 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(N(C)C)c(F)c1 ZINC001039054742 694858697 /nfs/dbraw/zinc/85/86/97/694858697.db2.gz MBQREJKYHQVKJC-ZDUSSCGKSA-N 1 2 289.354 1.329 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N(C)C)c(F)c1 ZINC001039054742 694858698 /nfs/dbraw/zinc/85/86/98/694858698.db2.gz MBQREJKYHQVKJC-ZDUSSCGKSA-N 1 2 289.354 1.329 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001035502381 694861087 /nfs/dbraw/zinc/86/10/87/694861087.db2.gz OGEJCUUAGQLTSM-GDBMZVCRSA-N 1 2 286.375 1.329 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001035502381 694861088 /nfs/dbraw/zinc/86/10/88/694861088.db2.gz OGEJCUUAGQLTSM-GDBMZVCRSA-N 1 2 286.375 1.329 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001042747565 694866670 /nfs/dbraw/zinc/86/66/70/694866670.db2.gz LMQODABCVQNFOB-UHFFFAOYSA-N 1 2 288.395 1.487 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(CCC)nc1C ZINC001038854780 694867300 /nfs/dbraw/zinc/86/73/00/694867300.db2.gz NDZPDUIBQZODMZ-ZDUSSCGKSA-N 1 2 274.368 1.039 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(CCC)nc1C ZINC001038854780 694867301 /nfs/dbraw/zinc/86/73/01/694867301.db2.gz NDZPDUIBQZODMZ-ZDUSSCGKSA-N 1 2 274.368 1.039 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cnn(C)n1 ZINC001024707297 694876386 /nfs/dbraw/zinc/87/63/86/694876386.db2.gz JXVQRNAPBRVCIG-NSHDSACASA-N 1 2 297.790 1.152 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cnn(C)n1 ZINC001024707297 694876387 /nfs/dbraw/zinc/87/63/87/694876387.db2.gz JXVQRNAPBRVCIG-NSHDSACASA-N 1 2 297.790 1.152 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)/C(C)=C\C)C[C@H]21 ZINC001074205629 694879981 /nfs/dbraw/zinc/87/99/81/694879981.db2.gz VAPRWWVJFYRJGD-RZAHBXAWSA-N 1 2 278.396 1.830 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)/C(C)=C\C)C[C@H]21 ZINC001074205629 694879982 /nfs/dbraw/zinc/87/99/82/694879982.db2.gz VAPRWWVJFYRJGD-RZAHBXAWSA-N 1 2 278.396 1.830 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)n(C)c2C)C1 ZINC001031369557 694892527 /nfs/dbraw/zinc/89/25/27/694892527.db2.gz SYZZFGAFIXUHGS-UHFFFAOYSA-N 1 2 259.353 1.079 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C/C=C/Cl)cn1 ZINC001038927756 695043450 /nfs/dbraw/zinc/04/34/50/695043450.db2.gz BIYRYQNYSXAHFD-RRFAQUSLSA-N 1 2 289.766 1.620 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C/C=C/Cl)cn1 ZINC001038927756 695043453 /nfs/dbraw/zinc/04/34/53/695043453.db2.gz BIYRYQNYSXAHFD-RRFAQUSLSA-N 1 2 289.766 1.620 20 30 CDEDLO CC(=O)[C@](C#N)(CC[N@@H+](C)[C@H]1CCNC1=O)c1ccccc1 ZINC000878307097 695051252 /nfs/dbraw/zinc/05/12/52/695051252.db2.gz KLOLKPPKPREIGP-DOTOQJQBSA-N 1 2 299.374 1.247 20 30 CDEDLO CC(=O)[C@](C#N)(CC[N@H+](C)[C@H]1CCNC1=O)c1ccccc1 ZINC000878307097 695051253 /nfs/dbraw/zinc/05/12/53/695051253.db2.gz KLOLKPPKPREIGP-DOTOQJQBSA-N 1 2 299.374 1.247 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2Cc3ccc(F)cc32)C1 ZINC001030847573 695065281 /nfs/dbraw/zinc/06/52/81/695065281.db2.gz JZURHILNKVQHAT-HNNXBMFYSA-N 1 2 274.339 1.842 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2c(C)coc2C)C1 ZINC001035363852 695087143 /nfs/dbraw/zinc/08/71/43/695087143.db2.gz ZHGBAJSBCGKEED-AWEZNQCLSA-N 1 2 290.363 1.350 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2c(C)coc2C)C1 ZINC001035363852 695087148 /nfs/dbraw/zinc/08/71/48/695087148.db2.gz ZHGBAJSBCGKEED-AWEZNQCLSA-N 1 2 290.363 1.350 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2c(C)noc2Cl)C1 ZINC001044048841 695108086 /nfs/dbraw/zinc/10/80/86/695108086.db2.gz JEROUJHGQZMKPL-UHFFFAOYSA-N 1 2 283.759 1.508 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[C@H]1CCCO1 ZINC001017923141 695131921 /nfs/dbraw/zinc/13/19/21/695131921.db2.gz MLGFHNPAHFWATK-LVQVYYBASA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[C@H]1CCCO1 ZINC001017923141 695131925 /nfs/dbraw/zinc/13/19/25/695131925.db2.gz MLGFHNPAHFWATK-LVQVYYBASA-N 1 2 290.407 1.500 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3[nH]cnc32)C1 ZINC001031134260 695143341 /nfs/dbraw/zinc/14/33/41/695143341.db2.gz PIBRTZNJHFSGRM-UHFFFAOYSA-N 1 2 268.320 1.000 20 30 CDEDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cc(C2(C#N)CC2)ccn1 ZINC001170337864 1162345886 /nfs/dbraw/zinc/34/58/86/1162345886.db2.gz HMQAZWINPDWQHN-UHFFFAOYSA-N 1 2 283.335 1.338 20 30 CDEDLO Cc1nc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)C#N)cs1 ZINC001114069810 1162416757 /nfs/dbraw/zinc/41/67/57/1162416757.db2.gz OXQDVZHRPSWWLH-HWNAMQAFSA-N 1 2 290.392 1.158 20 30 CDEDLO Cc1nc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)C#N)cs1 ZINC001114069810 1162416759 /nfs/dbraw/zinc/41/67/59/1162416759.db2.gz OXQDVZHRPSWWLH-HWNAMQAFSA-N 1 2 290.392 1.158 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3ncccn3)C[C@H]21 ZINC001114198862 1162451787 /nfs/dbraw/zinc/45/17/87/1162451787.db2.gz JYXOPFKWJZTRJA-TTZDDIAXSA-N 1 2 298.390 1.388 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3ncccn3)C[C@H]21 ZINC001114198862 1162451788 /nfs/dbraw/zinc/45/17/88/1162451788.db2.gz JYXOPFKWJZTRJA-TTZDDIAXSA-N 1 2 298.390 1.388 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001108269509 1161974998 /nfs/dbraw/zinc/97/49/98/1161974998.db2.gz LUSRAKJOFYGLLH-UXLLHSPISA-N 1 2 290.407 1.263 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001108269509 1161974999 /nfs/dbraw/zinc/97/49/99/1161974999.db2.gz LUSRAKJOFYGLLH-UXLLHSPISA-N 1 2 290.407 1.263 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[NH+](CCOCC=C)CC2)nc1 ZINC001113559516 1162220943 /nfs/dbraw/zinc/22/09/43/1162220943.db2.gz XFGUPUFNMMTPKH-UHFFFAOYSA-N 1 2 299.374 1.023 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001132663243 1163430544 /nfs/dbraw/zinc/43/05/44/1163430544.db2.gz SKXZUSYDILEGBJ-WDEREUQCSA-N 1 2 280.372 1.747 20 30 CDEDLO C#Cc1cncc(C(=O)NCC[NH2+][C@@H](C)c2ncc(C)o2)c1 ZINC001133592824 1163806548 /nfs/dbraw/zinc/80/65/48/1163806548.db2.gz CVRDZVMSKMSFFH-LBPRGKRZSA-N 1 2 298.346 1.440 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001135145563 1164130107 /nfs/dbraw/zinc/13/01/07/1164130107.db2.gz OIUCTPQHYSOQRE-JSGCOSHPSA-N 1 2 293.367 1.170 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC001252603057 1164570687 /nfs/dbraw/zinc/57/06/87/1164570687.db2.gz KTYMZHJTIQSQFR-ZFWWWQNUSA-N 1 2 262.353 1.782 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC001252603057 1164570690 /nfs/dbraw/zinc/57/06/90/1164570690.db2.gz KTYMZHJTIQSQFR-ZFWWWQNUSA-N 1 2 262.353 1.782 20 30 CDEDLO Cc1nc(N2C[C@@H](NC(=O)C#CC3CC3)C(C)(C)C2)cc[nH+]1 ZINC001114450906 1165094773 /nfs/dbraw/zinc/09/47/73/1165094773.db2.gz LYGLMGABPUFOCT-CQSZACIVSA-N 1 2 298.390 1.529 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc3scnc3[nH]2)CC1 ZINC001155512100 1167205279 /nfs/dbraw/zinc/20/52/79/1167205279.db2.gz BZZWVDWXWPPYPT-UHFFFAOYSA-N 1 2 276.365 1.568 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(OCC#N)cc1 ZINC001647172683 1168424761 /nfs/dbraw/zinc/42/47/61/1168424761.db2.gz WTHCJMXJOJEXMW-UHFFFAOYSA-N 1 2 284.319 1.894 20 30 CDEDLO C#Cc1ccc(NC(=O)[C@H]2COCC[NH2+]2)c(Cl)c1 ZINC001573307761 1170652047 /nfs/dbraw/zinc/65/20/47/1170652047.db2.gz WMMZBJHZZMSPSR-GFCCVEGCSA-N 1 2 264.712 1.248 20 30 CDEDLO CCCN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001650268334 1170906290 /nfs/dbraw/zinc/90/62/90/1170906290.db2.gz ASKNWPXGVBQAEH-UHFFFAOYSA-N 1 2 290.415 1.754 20 30 CDEDLO C#CC[C@@]1(C(=O)Oc2ccc3c(c2)nc(C)n3C)CCC[NH2+]1 ZINC001574525041 1170991345 /nfs/dbraw/zinc/99/13/45/1170991345.db2.gz BZDFVVKONZMWBC-KRWDZBQOSA-N 1 2 297.358 1.933 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)Nc1cccc(C#N)n1 ZINC001678742223 1174449516 /nfs/dbraw/zinc/44/95/16/1174449516.db2.gz ZEMDPJFWNRZAGF-UHFFFAOYSA-N 1 2 256.269 1.008 20 30 CDEDLO C=CCCC(=O)NC1C[NH+](C[C@H]2CC[C@@H](C)O2)C1 ZINC001753372017 1185173353 /nfs/dbraw/zinc/17/33/53/1185173353.db2.gz CNRDVJXXJIAQGY-DGCLKSJQSA-N 1 2 252.358 1.321 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)CC(F)(F)C(F)(F)F)C1 ZINC001753394635 1185184095 /nfs/dbraw/zinc/18/40/95/1185184095.db2.gz HEXPDDVSWXZZRP-UHFFFAOYSA-N 1 2 272.217 1.561 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC1C[NH+](CC(=O)NC(C)C)C1 ZINC001753410863 1185192307 /nfs/dbraw/zinc/19/23/07/1185192307.db2.gz SUYMXKGFIYJWCT-CYBMUJFWSA-N 1 2 295.427 1.161 20 30 CDEDLO C#CCCCC(=O)N(CC)CC[NH2+][C@@H](C)c1csnn1 ZINC001754041719 1185438528 /nfs/dbraw/zinc/43/85/28/1185438528.db2.gz AYOXPXDKLHOWAU-LBPRGKRZSA-N 1 2 294.424 1.841 20 30 CDEDLO C=CCCC(=O)NCC1([NH2+][C@H](C)c2nnc(CC)o2)CC1 ZINC001754509421 1185650794 /nfs/dbraw/zinc/65/07/94/1185650794.db2.gz IIDFBAKTVRKXDH-LLVKDONJSA-N 1 2 292.383 1.898 20 30 CDEDLO CN(C(=O)C#CC(C)(C)C)C1C[NH+](C[C@H]2CCCCO2)C1 ZINC001754574784 1185671065 /nfs/dbraw/zinc/67/10/65/1185671065.db2.gz DTIDQUQRYCMKQM-OAHLLOKOSA-N 1 2 292.423 1.748 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NC[C@H](CO)[NH2+]Cc1coc(C)n1 ZINC001755635365 1186018480 /nfs/dbraw/zinc/01/84/80/1186018480.db2.gz WDUYYCMDMLMNMC-GFCCVEGCSA-N 1 2 295.383 1.152 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000820641823 723094204 /nfs/dbraw/zinc/09/42/04/723094204.db2.gz XQJFNWYOPUTKST-LSDHHAIUSA-N 1 2 293.411 1.295 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC(C)C)CC(C)C ZINC000884043144 723135679 /nfs/dbraw/zinc/13/56/79/723135679.db2.gz OWCMQIPANILJLF-ZDUSSCGKSA-N 1 2 284.400 1.574 20 30 CDEDLO CCCC[NH+]1CC2(C1)CN(C(=O)C#CC1CC1)CCO2 ZINC001053250045 723193965 /nfs/dbraw/zinc/19/39/65/723193965.db2.gz JEXTZLXYDWNMMZ-UHFFFAOYSA-N 1 2 276.380 1.113 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCN2CCCC2=O)c1 ZINC000193502521 723262142 /nfs/dbraw/zinc/26/21/42/723262142.db2.gz KVXAWBMCULSUCH-UHFFFAOYSA-N 1 2 299.374 1.161 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCN2CCCC2=O)c1 ZINC000193502521 723262146 /nfs/dbraw/zinc/26/21/46/723262146.db2.gz KVXAWBMCULSUCH-UHFFFAOYSA-N 1 2 299.374 1.161 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2coc(C(C)(C)C)n2)C1 ZINC001042715595 723265341 /nfs/dbraw/zinc/26/53/41/723265341.db2.gz FPNGNJGDXXPINH-UHFFFAOYSA-N 1 2 289.379 1.752 20 30 CDEDLO C=C(C)CNC(=S)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000849280819 723305162 /nfs/dbraw/zinc/30/51/62/723305162.db2.gz HWRCARSOEZAKDC-RYUDHWBXSA-N 1 2 271.430 1.136 20 30 CDEDLO C=C(C)CNC(=S)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000849280819 723305165 /nfs/dbraw/zinc/30/51/65/723305165.db2.gz HWRCARSOEZAKDC-RYUDHWBXSA-N 1 2 271.430 1.136 20 30 CDEDLO COC[C@H](C#N)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000857067326 723382148 /nfs/dbraw/zinc/38/21/48/723382148.db2.gz JWJHXZSLWKNSRK-AWEZNQCLSA-N 1 2 285.303 1.627 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1[nH]nnc1C ZINC001028064868 723408957 /nfs/dbraw/zinc/40/89/57/723408957.db2.gz UAIODBWBHKSKKO-JTQLQIEISA-N 1 2 283.763 1.060 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]nnc1C ZINC001028064868 723408963 /nfs/dbraw/zinc/40/89/63/723408963.db2.gz UAIODBWBHKSKKO-JTQLQIEISA-N 1 2 283.763 1.060 20 30 CDEDLO N#CCOc1ccc(CN2CCn3c[nH+]cc3C2)cc1 ZINC000852060781 723409904 /nfs/dbraw/zinc/40/99/04/723409904.db2.gz JTFNWDFKMFMIOY-UHFFFAOYSA-N 1 2 268.320 1.801 20 30 CDEDLO C=CC[N@@H+](CC(=O)OCC)C[C@](C)(OC)C1CC1 ZINC000876609624 723416328 /nfs/dbraw/zinc/41/63/28/723416328.db2.gz QLBFGWMQCCWIFN-AWEZNQCLSA-N 1 2 255.358 1.853 20 30 CDEDLO C=CC[N@H+](CC(=O)OCC)C[C@](C)(OC)C1CC1 ZINC000876609624 723416333 /nfs/dbraw/zinc/41/63/33/723416333.db2.gz QLBFGWMQCCWIFN-AWEZNQCLSA-N 1 2 255.358 1.853 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2scnc2C)CC[C@@H]1C ZINC001071349927 723565327 /nfs/dbraw/zinc/56/53/27/723565327.db2.gz NJDMCTJJDHJTPA-JQWIXIFHSA-N 1 2 277.393 1.667 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2scnc2C)CC[C@@H]1C ZINC001071349927 723565344 /nfs/dbraw/zinc/56/53/44/723565344.db2.gz NJDMCTJJDHJTPA-JQWIXIFHSA-N 1 2 277.393 1.667 20 30 CDEDLO Cc1conc1C[N@@H+]1CCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001072721105 723589436 /nfs/dbraw/zinc/58/94/36/723589436.db2.gz DPUMKAXAFKBCNB-UHFFFAOYSA-N 1 2 299.374 1.431 20 30 CDEDLO Cc1conc1C[N@H+]1CCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001072721105 723589443 /nfs/dbraw/zinc/58/94/43/723589443.db2.gz DPUMKAXAFKBCNB-UHFFFAOYSA-N 1 2 299.374 1.431 20 30 CDEDLO C=C(C)C[C@@H](CO)NC(=O)NCCCCn1cc[nH+]c1 ZINC000883175061 723599199 /nfs/dbraw/zinc/59/91/99/723599199.db2.gz YHULWOUJNVEIND-ZDUSSCGKSA-N 1 2 280.372 1.290 20 30 CDEDLO CCc1noc(CO[NH+]=C(N)Cc2ccccc2)n1 ZINC000074285501 723607087 /nfs/dbraw/zinc/60/70/87/723607087.db2.gz IPCHNSQPUATPDW-UHFFFAOYSA-N 1 2 260.297 1.664 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2c(C)cccc2C)C1 ZINC001035526936 723613978 /nfs/dbraw/zinc/61/39/78/723613978.db2.gz LCJCEBGMFCHLOJ-OAHLLOKOSA-N 1 2 288.391 1.920 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2c(C)cccc2C)C1 ZINC001035526936 723613990 /nfs/dbraw/zinc/61/39/90/723613990.db2.gz LCJCEBGMFCHLOJ-OAHLLOKOSA-N 1 2 288.391 1.920 20 30 CDEDLO CC[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1cccc(C#N)c1O ZINC000926319260 723623906 /nfs/dbraw/zinc/62/39/06/723623906.db2.gz AJQAQARZVMMBLJ-PJODQICGSA-N 1 2 290.363 1.844 20 30 CDEDLO C#CC1(O)CC[NH+](CC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000931145296 723634690 /nfs/dbraw/zinc/63/46/90/723634690.db2.gz FVYGIXJVIQYEOP-UHFFFAOYSA-N 1 2 294.301 1.363 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1ncc(CC)s1)[C@H]1CCCO1 ZINC000775345862 723646719 /nfs/dbraw/zinc/64/67/19/723646719.db2.gz QRPZIIBOOFVGGK-VXGBXAGGSA-N 1 2 250.367 1.976 20 30 CDEDLO C#CC[NH+]1CCC(NC(=O)C(F)C(F)(F)F)CC1 ZINC000928652517 723657130 /nfs/dbraw/zinc/65/71/30/723657130.db2.gz AUBDHKFOGCUPEL-SECBINFHSA-N 1 2 266.238 1.101 20 30 CDEDLO C#CC[NH+]1CCC(NC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000928652517 723657131 /nfs/dbraw/zinc/65/71/31/723657131.db2.gz AUBDHKFOGCUPEL-SECBINFHSA-N 1 2 266.238 1.101 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cnc(C(C)C)s2)C1 ZINC001016443036 723663996 /nfs/dbraw/zinc/66/39/96/723663996.db2.gz IWYRHLCNHIKTIW-LLVKDONJSA-N 1 2 277.393 1.704 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnc(C(C)C)s2)C1 ZINC001016443036 723663998 /nfs/dbraw/zinc/66/39/98/723663998.db2.gz IWYRHLCNHIKTIW-LLVKDONJSA-N 1 2 277.393 1.704 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2c(C)onc2C2CC2)C1 ZINC001007966770 723684880 /nfs/dbraw/zinc/68/48/80/723684880.db2.gz ISUXZMBSRGHTRQ-CYBMUJFWSA-N 1 2 287.363 1.688 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)onc2C2CC2)C1 ZINC001007966770 723684882 /nfs/dbraw/zinc/68/48/82/723684882.db2.gz ISUXZMBSRGHTRQ-CYBMUJFWSA-N 1 2 287.363 1.688 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)ccc1Cl ZINC001038736325 723689582 /nfs/dbraw/zinc/68/95/82/723689582.db2.gz PTMMNPQHLYUAPD-LLVKDONJSA-N 1 2 280.730 1.916 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)ccc1Cl ZINC001038736325 723689585 /nfs/dbraw/zinc/68/95/85/723689585.db2.gz PTMMNPQHLYUAPD-LLVKDONJSA-N 1 2 280.730 1.916 20 30 CDEDLO C=C(C)CC[NH+]1CC(NC(=O)c2scnc2COC)C1 ZINC001031072277 723690368 /nfs/dbraw/zinc/69/03/68/723690368.db2.gz XYWFBIZNAIOTKB-UHFFFAOYSA-N 1 2 295.408 1.670 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2F)C1 ZINC001035262772 723690393 /nfs/dbraw/zinc/69/03/93/723690393.db2.gz RZDBXHABNJYDQZ-ZDUSSCGKSA-N 1 2 292.354 1.832 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2F)C1 ZINC001035262772 723690396 /nfs/dbraw/zinc/69/03/96/723690396.db2.gz RZDBXHABNJYDQZ-ZDUSSCGKSA-N 1 2 292.354 1.832 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2c1ccn2C ZINC001038824466 723228405 /nfs/dbraw/zinc/22/84/05/723228405.db2.gz YPUXRZZGNNLWES-CYBMUJFWSA-N 1 2 281.359 1.616 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2c1ccn2C ZINC001038824466 723228407 /nfs/dbraw/zinc/22/84/07/723228407.db2.gz YPUXRZZGNNLWES-CYBMUJFWSA-N 1 2 281.359 1.616 20 30 CDEDLO O=C(C#CC1CC1)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874890788 723238666 /nfs/dbraw/zinc/23/86/66/723238666.db2.gz ZGZNGEJCVAKRHI-OAHLLOKOSA-N 1 2 272.323 1.712 20 30 CDEDLO C#CC1(F)CN(C(=O)[C@H](C(CC)CC)[NH+]2CCOCC2)C1 ZINC000881942632 723243222 /nfs/dbraw/zinc/24/32/22/723243222.db2.gz AJKGBRHKKACJML-AWEZNQCLSA-N 1 2 296.386 1.307 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nn(C)cc1Cl ZINC001017581250 723245564 /nfs/dbraw/zinc/24/55/64/723245564.db2.gz CDXZYFZNXSUFLE-PHIMTYICSA-N 1 2 294.786 1.548 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nn(C)cc1Cl ZINC001017581250 723245568 /nfs/dbraw/zinc/24/55/68/723245568.db2.gz CDXZYFZNXSUFLE-PHIMTYICSA-N 1 2 294.786 1.548 20 30 CDEDLO C#CCOCCC(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC000842887619 723346125 /nfs/dbraw/zinc/34/61/25/723346125.db2.gz FKYRQNLLLSRZFJ-UHFFFAOYSA-N 1 2 274.320 1.101 20 30 CDEDLO CC(C)CNC(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000047255292 723351284 /nfs/dbraw/zinc/35/12/84/723351284.db2.gz YHGWBYVWPVKXFJ-UHFFFAOYSA-N 1 2 263.341 1.290 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)CCCCS(C)(=O)=O)n1 ZINC000789331693 723365872 /nfs/dbraw/zinc/36/58/72/723365872.db2.gz FTXALNBAMQEUPT-UHFFFAOYSA-N 1 2 297.424 1.163 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)CCCCS(C)(=O)=O)n1 ZINC000789331693 723365878 /nfs/dbraw/zinc/36/58/78/723365878.db2.gz FTXALNBAMQEUPT-UHFFFAOYSA-N 1 2 297.424 1.163 20 30 CDEDLO COC(=O)[C@H]([NH2+]CCO[C@H](C)C#N)C1CCCCC1 ZINC000801941614 723449956 /nfs/dbraw/zinc/44/99/56/723449956.db2.gz RQXZPAHESQGCDQ-DGCLKSJQSA-N 1 2 268.357 1.627 20 30 CDEDLO N#Cc1ccc(NCCNc2cc(NC3CC3)nc[nH+]2)nc1 ZINC000840242372 723442327 /nfs/dbraw/zinc/44/23/27/723442327.db2.gz STKRIZVLTMYLKC-UHFFFAOYSA-N 1 2 295.350 1.842 20 30 CDEDLO N#Cc1ccc(NCCNc2cc(NC3CC3)[nH+]cn2)nc1 ZINC000840242372 723442332 /nfs/dbraw/zinc/44/23/32/723442332.db2.gz STKRIZVLTMYLKC-UHFFFAOYSA-N 1 2 295.350 1.842 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)noc1C1CC1 ZINC001038531129 723449147 /nfs/dbraw/zinc/44/91/47/723449147.db2.gz FUBYMQUIQVZELK-CYBMUJFWSA-N 1 2 287.363 1.688 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)noc1C1CC1 ZINC001038531129 723449148 /nfs/dbraw/zinc/44/91/48/723449148.db2.gz FUBYMQUIQVZELK-CYBMUJFWSA-N 1 2 287.363 1.688 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnn1[C@H](C)CC ZINC001038313148 723453918 /nfs/dbraw/zinc/45/39/18/723453918.db2.gz WOYARQORPQGJQU-ZIAGYGMSSA-N 1 2 288.395 1.682 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnn1[C@H](C)CC ZINC001038313148 723453924 /nfs/dbraw/zinc/45/39/24/723453924.db2.gz WOYARQORPQGJQU-ZIAGYGMSSA-N 1 2 288.395 1.682 20 30 CDEDLO C#CC[N@@H+](CN1C[C@H](OC)CC1=O)[C@@H]1CCc2ccccc21 ZINC000189070265 723458304 /nfs/dbraw/zinc/45/83/04/723458304.db2.gz BLXRGOPYYALRLP-NVXWUHKLSA-N 1 2 298.386 1.814 20 30 CDEDLO C#CC[N@H+](CN1C[C@H](OC)CC1=O)[C@@H]1CCc2ccccc21 ZINC000189070265 723458306 /nfs/dbraw/zinc/45/83/06/723458306.db2.gz BLXRGOPYYALRLP-NVXWUHKLSA-N 1 2 298.386 1.814 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cnn(CC)c2)C1 ZINC001015975526 723485780 /nfs/dbraw/zinc/48/57/80/723485780.db2.gz RDAMKGAUOBXINC-CYBMUJFWSA-N 1 2 296.802 1.389 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnn(CC)c2)C1 ZINC001015975526 723485785 /nfs/dbraw/zinc/48/57/85/723485785.db2.gz RDAMKGAUOBXINC-CYBMUJFWSA-N 1 2 296.802 1.389 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC)CSC ZINC000775255596 723490690 /nfs/dbraw/zinc/49/06/90/723490690.db2.gz NQLXKPXVPCDAJB-RYUDHWBXSA-N 1 2 254.399 1.342 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC)CSC ZINC000775255596 723490698 /nfs/dbraw/zinc/49/06/98/723490698.db2.gz NQLXKPXVPCDAJB-RYUDHWBXSA-N 1 2 254.399 1.342 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001042821102 723505579 /nfs/dbraw/zinc/50/55/79/723505579.db2.gz UACZEDNZFYDNEZ-ZDUSSCGKSA-N 1 2 288.395 1.634 20 30 CDEDLO N#CC1(C[C@H](O)C[N@@H+]2CCO[C@H](C(F)F)C2)CCC1 ZINC000886190526 723570982 /nfs/dbraw/zinc/57/09/82/723570982.db2.gz UUJDOVVSXSSXLZ-QWRGUYRKSA-N 1 2 274.311 1.397 20 30 CDEDLO N#CC1(C[C@H](O)C[N@H+]2CCO[C@H](C(F)F)C2)CCC1 ZINC000886190526 723570988 /nfs/dbraw/zinc/57/09/88/723570988.db2.gz UUJDOVVSXSSXLZ-QWRGUYRKSA-N 1 2 274.311 1.397 20 30 CDEDLO C#C[C@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)[C@@H]1CCCO1 ZINC000775787907 723595158 /nfs/dbraw/zinc/59/51/58/723595158.db2.gz BPXZWJLDPIUUCH-KBPBESRZSA-N 1 2 286.379 1.761 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1[C@@H]3CCC[C@@H]31)CO2 ZINC001053770056 723603152 /nfs/dbraw/zinc/60/31/52/723603152.db2.gz LDQUNQRKHDTAIX-KBXIAJHMSA-N 1 2 288.391 1.015 20 30 CDEDLO CC(C)C[N@H+](CCC#N)[C@H]1CCN(C2CCOCC2)C1=O ZINC000790289236 723627220 /nfs/dbraw/zinc/62/72/20/723627220.db2.gz AZMWLPDJJWLXPT-HNNXBMFYSA-N 1 2 293.411 1.638 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)[C@H]1CCN(C2CCOCC2)C1=O ZINC000790289236 723627223 /nfs/dbraw/zinc/62/72/23/723627223.db2.gz AZMWLPDJJWLXPT-HNNXBMFYSA-N 1 2 293.411 1.638 20 30 CDEDLO COC[C@](C)(C#N)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934719237 723638026 /nfs/dbraw/zinc/63/80/26/723638026.db2.gz VOLHCECGGFJXQD-ZDUSSCGKSA-N 1 2 258.281 1.221 20 30 CDEDLO C=CC[N@H+]1CC[C@@](C)(NC(=O)c2cccc3nc[nH]c32)C1 ZINC001046723780 723642247 /nfs/dbraw/zinc/64/22/47/723642247.db2.gz FOUQIPNIKSSWSR-MRXNPFEDSA-N 1 2 284.363 1.943 20 30 CDEDLO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc3nc[nH]c32)C1 ZINC001046723780 723642248 /nfs/dbraw/zinc/64/22/48/723642248.db2.gz FOUQIPNIKSSWSR-MRXNPFEDSA-N 1 2 284.363 1.943 20 30 CDEDLO NC(Cc1ccccc1)=[NH+]O[C@@H]1CCN(C2CC2)C1=O ZINC000075093874 723652717 /nfs/dbraw/zinc/65/27/17/723652717.db2.gz MIXFDAUCFNUQJR-CYBMUJFWSA-N 1 2 273.336 1.281 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2ccc(C)cn12 ZINC001038510114 723670548 /nfs/dbraw/zinc/67/05/48/723670548.db2.gz IVOINBLGFJTZCT-AWEZNQCLSA-N 1 2 296.374 1.470 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2ccc(C)cn12 ZINC001038510114 723670550 /nfs/dbraw/zinc/67/05/50/723670550.db2.gz IVOINBLGFJTZCT-AWEZNQCLSA-N 1 2 296.374 1.470 20 30 CDEDLO COc1cccc(C=NNc2[nH+]ccn2C)c1OC ZINC000790301565 723675920 /nfs/dbraw/zinc/67/59/20/723675920.db2.gz GRDVMILOZTZEPC-UHFFFAOYSA-N 1 2 260.297 1.883 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)C1 ZINC001030416197 723682333 /nfs/dbraw/zinc/68/23/33/723682333.db2.gz BIKFFKUEZSFUDV-UHFFFAOYSA-N 1 2 299.378 1.405 20 30 CDEDLO C=CCCC(=O)NCCC[NH2+]Cc1noc(C2CC2)n1 ZINC001155602650 1167254406 /nfs/dbraw/zinc/25/44/06/1167254406.db2.gz VKJBTDLKKKZLJP-UHFFFAOYSA-N 1 2 278.356 1.509 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCOC(C)C ZINC001394043165 978023114 /nfs/dbraw/zinc/02/31/14/978023114.db2.gz IJCHPHVPBHNHMY-GFCCVEGCSA-N 1 2 276.808 1.991 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCOC(C)C ZINC001394043165 978023123 /nfs/dbraw/zinc/02/31/23/978023123.db2.gz IJCHPHVPBHNHMY-GFCCVEGCSA-N 1 2 276.808 1.991 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001646619368 1167985827 /nfs/dbraw/zinc/98/58/27/1167985827.db2.gz UZNHDRBZKGKTIG-ZWNOBZJWSA-N 1 2 277.755 1.973 20 30 CDEDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@@H]1C#N ZINC001173223044 912311470 /nfs/dbraw/zinc/31/14/70/912311470.db2.gz WVWRSXJMIDPJHZ-FZMZJTMJSA-N 1 2 274.324 1.323 20 30 CDEDLO CCc1ccc(C[C@@H](C)N2CC[NH2+]C[C@H]2C#N)cc1 ZINC001173241311 912373940 /nfs/dbraw/zinc/37/39/40/912373940.db2.gz UUUAXFPDWPLOFX-CZUORRHYSA-N 1 2 257.381 1.977 20 30 CDEDLO CCc1ccc(C[C@H](C)N2CC[NH2+]C[C@@H]2C#N)cc1 ZINC001173241285 912376963 /nfs/dbraw/zinc/37/69/63/912376963.db2.gz UUUAXFPDWPLOFX-BBRMVZONSA-N 1 2 257.381 1.977 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001120709315 912382237 /nfs/dbraw/zinc/38/22/37/912382237.db2.gz PKFXPYJWVXCMTE-OAHLLOKOSA-N 1 2 296.411 1.292 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2nccc3occc32)C1 ZINC001030717775 912623582 /nfs/dbraw/zinc/62/35/82/912623582.db2.gz YZCJSZKXGXZMJJ-UHFFFAOYSA-N 1 2 269.304 1.265 20 30 CDEDLO C[C@H](C(=O)NCc1ncc(C#N)s1)n1cc[nH+]c1 ZINC001177929348 915060286 /nfs/dbraw/zinc/06/02/86/915060286.db2.gz KAIORYKQUFMJEN-MRVPVSSYSA-N 1 2 261.310 1.089 20 30 CDEDLO C#Cc1ccc(Nc2cnn(CC[NH+]3CCOCC3)c2)cn1 ZINC001174491313 913163502 /nfs/dbraw/zinc/16/35/02/913163502.db2.gz NZUAMSMUORPCRT-UHFFFAOYSA-N 1 2 297.362 1.335 20 30 CDEDLO C#Cc1ccc(Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC001174494624 913164280 /nfs/dbraw/zinc/16/42/80/913164280.db2.gz ZNTSTKIJHNHPEP-UHFFFAOYSA-N 1 2 296.374 1.940 20 30 CDEDLO C[N@@H+]1CCCn2nc(C(=O)N3CCCC[C@@H]3C#N)cc2C1 ZINC001175077866 913454089 /nfs/dbraw/zinc/45/40/89/913454089.db2.gz SKGPMIBWIKMXSK-GFCCVEGCSA-N 1 2 287.367 1.237 20 30 CDEDLO C[N@H+]1CCCn2nc(C(=O)N3CCCC[C@@H]3C#N)cc2C1 ZINC001175077866 913454093 /nfs/dbraw/zinc/45/40/93/913454093.db2.gz SKGPMIBWIKMXSK-GFCCVEGCSA-N 1 2 287.367 1.237 20 30 CDEDLO CC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1[nH]ncc1F ZINC001175126009 913470112 /nfs/dbraw/zinc/47/01/12/913470112.db2.gz WMOJSENGLKCNPJ-LLVKDONJSA-N 1 2 280.347 1.450 20 30 CDEDLO CCN(CCn1cccn1)c1cc(CC#N)cc[nH+]1 ZINC001167060260 894105930 /nfs/dbraw/zinc/10/59/30/894105930.db2.gz QOYFSPLFRXFESN-UHFFFAOYSA-N 1 2 255.325 1.871 20 30 CDEDLO C=CCN(CC[N@@H+]1C[C@@H](C)OC[C@H]1C)C(=O)OCC ZINC001209021343 894420960 /nfs/dbraw/zinc/42/09/60/894420960.db2.gz YHUWQNHDPRBEEN-CHWSQXEVSA-N 1 2 270.373 1.740 20 30 CDEDLO C=CCN(CC[N@H+]1C[C@@H](C)OC[C@H]1C)C(=O)OCC ZINC001209021343 894420963 /nfs/dbraw/zinc/42/09/63/894420963.db2.gz YHUWQNHDPRBEEN-CHWSQXEVSA-N 1 2 270.373 1.740 20 30 CDEDLO C[C@H](CCNc1ccc(C#N)cn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001106427113 913919451 /nfs/dbraw/zinc/91/94/51/913919451.db2.gz YUGVZYQYDYDLQT-LLVKDONJSA-N 1 2 298.350 1.226 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C)c1F ZINC001038284482 897640910 /nfs/dbraw/zinc/64/09/10/897640910.db2.gz KONGAKFOCCSDJV-ZDUSSCGKSA-N 1 2 274.339 1.962 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(C)c1F ZINC001038284482 897640916 /nfs/dbraw/zinc/64/09/16/897640916.db2.gz KONGAKFOCCSDJV-ZDUSSCGKSA-N 1 2 274.339 1.962 20 30 CDEDLO C[C@@]1(CO)C[N@H+](Cc2cc(F)c(C#N)c(F)c2)CC[C@@H]1O ZINC001140753124 898191029 /nfs/dbraw/zinc/19/10/29/898191029.db2.gz YJKHTRDAXIITMP-GJZGRUSLSA-N 1 2 296.317 1.402 20 30 CDEDLO C[C@@]1(CO)C[N@@H+](Cc2cc(F)c(C#N)c(F)c2)CC[C@@H]1O ZINC001140753124 898191037 /nfs/dbraw/zinc/19/10/37/898191037.db2.gz YJKHTRDAXIITMP-GJZGRUSLSA-N 1 2 296.317 1.402 20 30 CDEDLO C[C@@H](CNC(=O)CCn1cc[nH+]c1)Nc1ccc(C#N)nc1 ZINC001098168016 898622138 /nfs/dbraw/zinc/62/21/38/898622138.db2.gz QJYXWVVYVJMOFQ-LBPRGKRZSA-N 1 2 298.350 1.157 20 30 CDEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCC)C[C@H]21 ZINC001176881442 914336418 /nfs/dbraw/zinc/33/64/18/914336418.db2.gz DXRAZHCSZCEFJU-HUUCEWRRSA-N 1 2 296.411 1.291 20 30 CDEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCC)C[C@H]21 ZINC001176881442 914336437 /nfs/dbraw/zinc/33/64/37/914336437.db2.gz DXRAZHCSZCEFJU-HUUCEWRRSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCCOC)C[C@H]21 ZINC001176938425 914375725 /nfs/dbraw/zinc/37/57/25/914375725.db2.gz 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900042821 /nfs/dbraw/zinc/04/28/21/900042821.db2.gz PTYIPOKRHZLPBV-UHFFFAOYSA-N 1 2 292.383 1.422 20 30 CDEDLO COCCO[NH+]=C(N)Cc1ccc(OC)c(OC)c1 ZINC000195169839 900186542 /nfs/dbraw/zinc/18/65/42/900186542.db2.gz GKUVZWXLEREWBD-UHFFFAOYSA-N 1 2 268.313 1.182 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ocnc1C(F)F ZINC001038704199 900371004 /nfs/dbraw/zinc/37/10/04/900371004.db2.gz MKLUYAPGAFGWNW-QMMMGPOBSA-N 1 2 271.267 1.602 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ocnc1C(F)F ZINC001038704199 900371010 /nfs/dbraw/zinc/37/10/10/900371010.db2.gz MKLUYAPGAFGWNW-QMMMGPOBSA-N 1 2 271.267 1.602 20 30 CDEDLO CC[N@H+](C)[C@H](C(=O)O[C@H](C#N)COC)c1ccccc1 ZINC000785337087 900864873 /nfs/dbraw/zinc/86/48/73/900864873.db2.gz LTXODWNJKAMPDH-KGLIPLIRSA-N 1 2 276.336 1.761 20 30 CDEDLO CC[N@@H+](C)[C@H](C(=O)O[C@H](C#N)COC)c1ccccc1 ZINC000785337087 900864881 /nfs/dbraw/zinc/86/48/81/900864881.db2.gz LTXODWNJKAMPDH-KGLIPLIRSA-N 1 2 276.336 1.761 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC001027895926 900955368 /nfs/dbraw/zinc/95/53/68/900955368.db2.gz DIBQVWMHIVOYDM-OBJOEFQTSA-N 1 2 284.787 1.356 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC001027895926 900955378 /nfs/dbraw/zinc/95/53/78/900955378.db2.gz DIBQVWMHIVOYDM-OBJOEFQTSA-N 1 2 284.787 1.356 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc(CC)c1Cl ZINC001027938110 901020395 /nfs/dbraw/zinc/02/03/95/901020395.db2.gz SQSBSSREBJVIFQ-SNVBAGLBSA-N 1 2 294.786 1.453 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc(CC)c1Cl ZINC001027938110 901020406 /nfs/dbraw/zinc/02/04/06/901020406.db2.gz SQSBSSREBJVIFQ-SNVBAGLBSA-N 1 2 294.786 1.453 20 30 CDEDLO C#CCCCC(=O)NCC[NH2+]Cc1nc(CCCC)no1 ZINC001126335256 901630289 /nfs/dbraw/zinc/63/02/89/901630289.db2.gz WEOHFWAXJXMZFD-UHFFFAOYSA-N 1 2 292.383 1.422 20 30 CDEDLO C=CCO[C@H](C)C(=O)NCCC[NH2+][C@@H](C)c1noc(C)n1 ZINC001177273023 914581245 /nfs/dbraw/zinc/58/12/45/914581245.db2.gz 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907597754 /nfs/dbraw/zinc/59/77/54/907597754.db2.gz FIECNWBZEDTUQQ-YPMHNXCESA-N 1 2 281.787 1.970 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C)c2)[C@H]1C ZINC001088521780 907597763 /nfs/dbraw/zinc/59/77/63/907597763.db2.gz FIECNWBZEDTUQQ-YPMHNXCESA-N 1 2 281.787 1.970 20 30 CDEDLO C=CC[N@@H+](CC(=O)OCC)CC1CCC(=O)CC1 ZINC000827511831 921377858 /nfs/dbraw/zinc/37/78/58/921377858.db2.gz ZZIYTJIURRZUEK-UHFFFAOYSA-N 1 2 253.342 1.797 20 30 CDEDLO C=CC[N@H+](CC(=O)OCC)CC1CCC(=O)CC1 ZINC000827511831 921377871 /nfs/dbraw/zinc/37/78/71/921377871.db2.gz ZZIYTJIURRZUEK-UHFFFAOYSA-N 1 2 253.342 1.797 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccnc2)C1 ZINC001032865286 921453968 /nfs/dbraw/zinc/45/39/68/921453968.db2.gz SNBNDXZXEALZLK-CYBMUJFWSA-N 1 2 279.771 1.980 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccnc2)C1 ZINC001032865286 921453975 /nfs/dbraw/zinc/45/39/75/921453975.db2.gz SNBNDXZXEALZLK-CYBMUJFWSA-N 1 2 279.771 1.980 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)CC)c1nccn12 ZINC001092337399 909378367 /nfs/dbraw/zinc/37/83/67/909378367.db2.gz XLMNEZGDOQRUHA-LLVKDONJSA-N 1 2 260.341 1.051 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C)o2)[C@H](O)C1 ZINC001090052034 921490607 /nfs/dbraw/zinc/49/06/07/921490607.db2.gz UTZHONGOGTVXCR-VXGBXAGGSA-N 1 2 298.770 1.506 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)o2)[C@H](O)C1 ZINC001090052034 921490614 /nfs/dbraw/zinc/49/06/14/921490614.db2.gz UTZHONGOGTVXCR-VXGBXAGGSA-N 1 2 298.770 1.506 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C3CCC3)CC2)C1 ZINC001093496309 909831166 /nfs/dbraw/zinc/83/11/66/909831166.db2.gz AADQQUILUQTPRI-UHFFFAOYSA-N 1 2 278.396 1.664 20 30 CDEDLO CN1C[C@H](CNc2cc(C3(C#N)CC3)cc[nH+]2)CC1=O ZINC001168726123 921586233 /nfs/dbraw/zinc/58/62/33/921586233.db2.gz ZRGQDDIDWRHPQH-NSHDSACASA-N 1 2 270.336 1.527 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@H](C)OC)CC2)C1 ZINC001105698578 910701538 /nfs/dbraw/zinc/70/15/38/910701538.db2.gz NOKJTSLXTMIJDA-ZDUSSCGKSA-N 1 2 296.411 1.289 20 30 CDEDLO COC(=O)N1CCC([N@@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001172739420 911884405 /nfs/dbraw/zinc/88/44/05/911884405.db2.gz LRHZSNISBRBCCW-LBPRGKRZSA-N 1 2 296.392 1.491 20 30 CDEDLO COC(=O)N1CCC([N@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001172739420 911884417 /nfs/dbraw/zinc/88/44/17/911884417.db2.gz LRHZSNISBRBCCW-LBPRGKRZSA-N 1 2 296.392 1.491 20 30 CDEDLO COC(=O)N1CCC([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001172739420 911884429 /nfs/dbraw/zinc/88/44/29/911884429.db2.gz LRHZSNISBRBCCW-LBPRGKRZSA-N 1 2 296.392 1.491 20 30 CDEDLO COC(=O)N1CCC([N@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001172739420 911884437 /nfs/dbraw/zinc/88/44/37/911884437.db2.gz LRHZSNISBRBCCW-LBPRGKRZSA-N 1 2 296.392 1.491 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)c3ccccc3n2)C1 ZINC001030544034 912017412 /nfs/dbraw/zinc/01/74/12/912017412.db2.gz YZLLSSOXZQUJKM-UHFFFAOYSA-N 1 2 293.370 1.981 20 30 CDEDLO CCCOC1CCC(N2CC[NH2+]C[C@H]2C#N)CC1 ZINC001173097712 912152172 /nfs/dbraw/zinc/15/21/72/912152172.db2.gz PKHPKUODFMFWOI-ROKHWSDSSA-N 1 2 251.374 1.522 20 30 CDEDLO CS[C@@H](C)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004349199 921782122 /nfs/dbraw/zinc/78/21/22/921782122.db2.gz HLDKGOUHZIKEFX-JSGCOSHPSA-N 1 2 295.452 1.964 20 30 CDEDLO CS[C@@H](C)C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004349199 921782137 /nfs/dbraw/zinc/78/21/37/921782137.db2.gz HLDKGOUHZIKEFX-JSGCOSHPSA-N 1 2 295.452 1.964 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cn3cc(C)ccc3n2)CC1 ZINC001150882202 915981993 /nfs/dbraw/zinc/98/19/93/915981993.db2.gz IYBZZFCEISIOON-UHFFFAOYSA-N 1 2 284.363 1.587 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)OCc1c[nH+]cn1CC ZINC001123471785 936167246 /nfs/dbraw/zinc/16/72/46/936167246.db2.gz BFKQHCZNVWWCGY-NSHDSACASA-N 1 2 252.314 1.927 20 30 CDEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC001180755432 916607115 /nfs/dbraw/zinc/60/71/15/916607115.db2.gz GMGKFJJKPWJCHD-GFCCVEGCSA-N 1 2 290.367 1.384 20 30 CDEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC001180755432 916607126 /nfs/dbraw/zinc/60/71/26/916607126.db2.gz GMGKFJJKPWJCHD-GFCCVEGCSA-N 1 2 290.367 1.384 20 30 CDEDLO COc1ccc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c(C#N)c1 ZINC001137706870 936394358 /nfs/dbraw/zinc/39/43/58/936394358.db2.gz UTCILQIGBCQSOM-OAHLLOKOSA-N 1 2 297.362 1.995 20 30 CDEDLO COc1ccc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c(C#N)c1 ZINC001137706870 936394362 /nfs/dbraw/zinc/39/43/62/936394362.db2.gz UTCILQIGBCQSOM-OAHLLOKOSA-N 1 2 297.362 1.995 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2nnc[nH]2)CC1 ZINC001052801421 936401248 /nfs/dbraw/zinc/40/12/48/936401248.db2.gz TYUMRECOYRPOMK-SNVBAGLBSA-N 1 2 283.763 1.142 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2nnc[nH]2)CC1 ZINC001052801421 936401249 /nfs/dbraw/zinc/40/12/49/936401249.db2.gz TYUMRECOYRPOMK-SNVBAGLBSA-N 1 2 283.763 1.142 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ncn[nH]2)CC1 ZINC001052801421 936401251 /nfs/dbraw/zinc/40/12/51/936401251.db2.gz TYUMRECOYRPOMK-SNVBAGLBSA-N 1 2 283.763 1.142 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ncn[nH]2)CC1 ZINC001052801421 936401252 /nfs/dbraw/zinc/40/12/52/936401252.db2.gz TYUMRECOYRPOMK-SNVBAGLBSA-N 1 2 283.763 1.142 20 30 CDEDLO COC(=O)c1ccccc1CO[NH+]=C(N)Cc1cccnc1 ZINC000182943879 917369088 /nfs/dbraw/zinc/36/90/88/917369088.db2.gz IMVCGMKHJIADBL-UHFFFAOYSA-N 1 2 299.330 1.900 20 30 CDEDLO C[C@H](C#N)C(=O)NCC[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC001124908324 917760026 /nfs/dbraw/zinc/76/00/26/917760026.db2.gz IHFVKJYLRJZMEI-ZJUUUORDSA-N 1 2 293.371 1.294 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nc(C)no2)C1 ZINC001182918769 918215633 /nfs/dbraw/zinc/21/56/33/918215633.db2.gz NRAWOAILPQTMPR-WCQYABFASA-N 1 2 292.383 1.986 20 30 CDEDLO CC(=O)NC[C@@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107664829 918581765 /nfs/dbraw/zinc/58/17/65/918581765.db2.gz YDQXOTAICWEHMR-INIZCTEOSA-N 1 2 287.363 1.285 20 30 CDEDLO CC(=O)NC[C@@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107664829 918581778 /nfs/dbraw/zinc/58/17/78/918581778.db2.gz YDQXOTAICWEHMR-INIZCTEOSA-N 1 2 287.363 1.285 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccccc2)C1 ZINC001107699854 918633894 /nfs/dbraw/zinc/63/38/94/918633894.db2.gz DBNISINVPLTSHJ-INIZCTEOSA-N 1 2 274.364 1.693 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccccc2)C1 ZINC001107699854 918633902 /nfs/dbraw/zinc/63/39/02/918633902.db2.gz DBNISINVPLTSHJ-INIZCTEOSA-N 1 2 274.364 1.693 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C2CC2)cnn1C ZINC001032438791 919132273 /nfs/dbraw/zinc/13/22/73/919132273.db2.gz DWFFPLZPVLDYPI-KBPBESRZSA-N 1 2 298.390 1.220 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C2CC2)cnn1C ZINC001032438791 919132284 /nfs/dbraw/zinc/13/22/84/919132284.db2.gz DWFFPLZPVLDYPI-KBPBESRZSA-N 1 2 298.390 1.220 20 30 CDEDLO C[N@H+](CCC#N)Cc1ccccc1N1CCC(O)CC1 ZINC001138755050 936563860 /nfs/dbraw/zinc/56/38/60/936563860.db2.gz LGMVCRPYSMSOTF-UHFFFAOYSA-N 1 2 273.380 1.993 20 30 CDEDLO C[N@@H+](CCC#N)Cc1ccccc1N1CCC(O)CC1 ZINC001138755050 936563861 /nfs/dbraw/zinc/56/38/61/936563861.db2.gz LGMVCRPYSMSOTF-UHFFFAOYSA-N 1 2 273.380 1.993 20 30 CDEDLO C=C1CC(C)(C(=O)NCC2([NH+]3CCCC3)COC2)C1 ZINC001184793332 919282063 /nfs/dbraw/zinc/28/20/63/919282063.db2.gz FDYYQRWDVARDPP-UHFFFAOYSA-N 1 2 264.369 1.324 20 30 CDEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)CC)C2)CC1 ZINC001051957941 936575127 /nfs/dbraw/zinc/57/51/27/936575127.db2.gz PTHBYIUUTJJTCL-CQSZACIVSA-N 1 2 265.401 1.191 20 30 CDEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)C(C)(C)F)C2)CC1 ZINC001051967014 936575685 /nfs/dbraw/zinc/57/56/85/936575685.db2.gz OPDIGYPBTCAEMG-ZDUSSCGKSA-N 1 2 283.391 1.139 20 30 CDEDLO C=CCNC(=S)N[NH+]=Cc1ccc(N)c(Cl)c1 ZINC001116364712 919718622 /nfs/dbraw/zinc/71/86/22/919718622.db2.gz SNOHHUVBMMNEBJ-UHFFFAOYSA-N 1 2 268.773 1.906 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)n1c(C)ccc1C ZINC001032801353 920255602 /nfs/dbraw/zinc/25/56/02/920255602.db2.gz RRVGFPOBLUESFZ-IKGGRYGDSA-N 1 2 299.418 1.974 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)n1c(C)ccc1C ZINC001032801353 920255614 /nfs/dbraw/zinc/25/56/14/920255614.db2.gz RRVGFPOBLUESFZ-IKGGRYGDSA-N 1 2 299.418 1.974 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC(C(F)(F)F)(C1)C2 ZINC001032804458 920270108 /nfs/dbraw/zinc/27/01/08/920270108.db2.gz ICYILKIWGOLNKI-BCVKRFQSSA-N 1 2 298.308 1.637 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC(C(F)(F)F)(C1)C2 ZINC001032804458 920270115 /nfs/dbraw/zinc/27/01/15/920270115.db2.gz ICYILKIWGOLNKI-BCVKRFQSSA-N 1 2 298.308 1.637 20 30 CDEDLO Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)cc1C#N ZINC001139725014 936639915 /nfs/dbraw/zinc/63/99/15/936639915.db2.gz ZGMPEKHXKJSICL-DJIMGWMZSA-N 1 2 286.375 1.838 20 30 CDEDLO Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)cc1C#N ZINC001139725014 936639916 /nfs/dbraw/zinc/63/99/16/936639916.db2.gz ZGMPEKHXKJSICL-DJIMGWMZSA-N 1 2 286.375 1.838 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2cccn2)CC[C@H]1C ZINC001071354008 936678083 /nfs/dbraw/zinc/67/80/83/936678083.db2.gz GCEFYSPOOYIRNT-OLZOCXBDSA-N 1 2 296.802 1.605 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2cccn2)CC[C@H]1C ZINC001071354008 936678084 /nfs/dbraw/zinc/67/80/84/936678084.db2.gz GCEFYSPOOYIRNT-OLZOCXBDSA-N 1 2 296.802 1.605 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001108041379 920861915 /nfs/dbraw/zinc/86/19/15/920861915.db2.gz OKZZKXMINLMMFD-SNVBAGLBSA-N 1 2 262.357 1.914 20 30 CDEDLO O=C(NCCCS)c1ccccc1-n1cc[nH+]c1 ZINC001190108035 921830544 /nfs/dbraw/zinc/83/05/44/921830544.db2.gz YNOIPUYCLGTUNZ-UHFFFAOYSA-N 1 2 261.350 1.922 20 30 CDEDLO CCOC(=O)C1(F)CC[NH+](Cc2ccc(C#N)nc2)CC1 ZINC001140544064 936723084 /nfs/dbraw/zinc/72/30/84/936723084.db2.gz XCNDCDXCSMSMEA-UHFFFAOYSA-N 1 2 291.326 1.820 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC23CC3)C1 ZINC001073785115 936730627 /nfs/dbraw/zinc/73/06/27/936730627.db2.gz BSJOXRACLSPXAG-CHWSQXEVSA-N 1 2 298.814 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC23CC3)C1 ZINC001073785115 936730629 /nfs/dbraw/zinc/73/06/29/936730629.db2.gz BSJOXRACLSPXAG-CHWSQXEVSA-N 1 2 298.814 1.746 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3(CF)CC3)C[C@H]21 ZINC001074336286 936735977 /nfs/dbraw/zinc/73/59/77/936735977.db2.gz MWTQYCXVALJVSQ-KGLIPLIRSA-N 1 2 294.370 1.061 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3(CF)CC3)C[C@H]21 ZINC001074336286 936735978 /nfs/dbraw/zinc/73/59/78/936735978.db2.gz MWTQYCXVALJVSQ-KGLIPLIRSA-N 1 2 294.370 1.061 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c(C)cc[nH]c2=O)CC1 ZINC001190970316 922331549 /nfs/dbraw/zinc/33/15/49/922331549.db2.gz DVCHLZVHBJKZNK-UHFFFAOYSA-N 1 2 261.325 1.039 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCO2)C1 ZINC001033736122 922339872 /nfs/dbraw/zinc/33/98/72/922339872.db2.gz YMKMDKZDHZEPOW-STQMWFEESA-N 1 2 286.803 1.841 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCO2)C1 ZINC001033736122 922339884 /nfs/dbraw/zinc/33/98/84/922339884.db2.gz YMKMDKZDHZEPOW-STQMWFEESA-N 1 2 286.803 1.841 20 30 CDEDLO C=CCOCC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@@H]1C ZINC001090200456 922556892 /nfs/dbraw/zinc/55/68/92/922556892.db2.gz NTOFRGWLXZGDIB-AAEUAGOBSA-N 1 2 290.367 1.389 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccoc2)[C@@H](O)C1 ZINC001090214875 922634942 /nfs/dbraw/zinc/63/49/42/922634942.db2.gz ZVYSJQKBTIENTL-STQMWFEESA-N 1 2 298.770 1.126 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccoc2)[C@@H](O)C1 ZINC001090214875 922634968 /nfs/dbraw/zinc/63/49/68/922634968.db2.gz ZVYSJQKBTIENTL-STQMWFEESA-N 1 2 298.770 1.126 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCC#CC)[C@@H](O)C1 ZINC001099959856 936825087 /nfs/dbraw/zinc/82/50/87/936825087.db2.gz KCRZQFWXQPNAOC-KGLIPLIRSA-N 1 2 298.814 1.484 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCC#CC)[C@@H](O)C1 ZINC001099959856 936825089 /nfs/dbraw/zinc/82/50/89/936825089.db2.gz KCRZQFWXQPNAOC-KGLIPLIRSA-N 1 2 298.814 1.484 20 30 CDEDLO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC(=C)Cl)C[C@@H]1O ZINC001099975404 936827723 /nfs/dbraw/zinc/82/77/23/936827723.db2.gz BEGARHVHTOFESD-STQMWFEESA-N 1 2 286.803 1.647 20 30 CDEDLO C=CCCCC(=O)N[C@H]1CC[N@H+](CC(=C)Cl)C[C@@H]1O ZINC001099975404 936827724 /nfs/dbraw/zinc/82/77/24/936827724.db2.gz BEGARHVHTOFESD-STQMWFEESA-N 1 2 286.803 1.647 20 30 CDEDLO C[N@H+](CC(F)F)C1CCN(C(=O)C#CC2CC2)CC1 ZINC000837443155 936842954 /nfs/dbraw/zinc/84/29/54/936842954.db2.gz WUJAGOWZRJMQEN-UHFFFAOYSA-N 1 2 270.323 1.588 20 30 CDEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)C#CC2CC2)CC1 ZINC000837443155 936842956 /nfs/dbraw/zinc/84/29/56/936842956.db2.gz WUJAGOWZRJMQEN-UHFFFAOYSA-N 1 2 270.323 1.588 20 30 CDEDLO N#C[C@@]1(C(=O)NCCn2cc[nH+]c2)CC12CCCC2 ZINC001141601458 936910680 /nfs/dbraw/zinc/91/06/80/936910680.db2.gz PNLUZJFQVARXKA-CQSZACIVSA-N 1 2 258.325 1.473 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)n2cncn2)C1 ZINC001079596339 924379484 /nfs/dbraw/zinc/37/94/84/924379484.db2.gz ZRKVTXDMKQCLCZ-YUSALJHKSA-N 1 2 297.790 1.028 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)n2cncn2)C1 ZINC001079596339 924379490 /nfs/dbraw/zinc/37/94/90/924379490.db2.gz ZRKVTXDMKQCLCZ-YUSALJHKSA-N 1 2 297.790 1.028 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nn(C)cc2C)C1 ZINC001079681287 924402161 /nfs/dbraw/zinc/40/21/61/924402161.db2.gz FOMXGOMOFUFCHS-BXKDBHETSA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nn(C)cc2C)C1 ZINC001079681287 924402164 /nfs/dbraw/zinc/40/21/64/924402164.db2.gz FOMXGOMOFUFCHS-BXKDBHETSA-N 1 2 296.802 1.531 20 30 CDEDLO CC(C)C#CC(=O)N1CCC[N@H+](Cc2ccnn2C)CC1 ZINC001195774816 924727691 /nfs/dbraw/zinc/72/76/91/924727691.db2.gz CIEYSSWWOUREEQ-UHFFFAOYSA-N 1 2 288.395 1.114 20 30 CDEDLO CC(C)C#CC(=O)N1CCC[N@@H+](Cc2ccnn2C)CC1 ZINC001195774816 924727695 /nfs/dbraw/zinc/72/76/95/924727695.db2.gz CIEYSSWWOUREEQ-UHFFFAOYSA-N 1 2 288.395 1.114 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNC(=S)Nc2ccccc2C#N)C1 ZINC001196331949 924871763 /nfs/dbraw/zinc/87/17/63/924871763.db2.gz UWAMSDNQHJVFIC-LBPRGKRZSA-N 1 2 290.392 1.175 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNC(=S)Nc2ccccc2C#N)C1 ZINC001196331949 924871769 /nfs/dbraw/zinc/87/17/69/924871769.db2.gz UWAMSDNQHJVFIC-LBPRGKRZSA-N 1 2 290.392 1.175 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](F)CC)C[C@H]1O ZINC001196474201 924906933 /nfs/dbraw/zinc/90/69/33/924906933.db2.gz FRHRUHCQHIGIKM-YNEHKIRRSA-N 1 2 286.391 1.498 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](F)CC)C[C@H]1O ZINC001196474201 924906938 /nfs/dbraw/zinc/90/69/38/924906938.db2.gz FRHRUHCQHIGIKM-YNEHKIRRSA-N 1 2 286.391 1.498 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cnc(CC)s2)[C@H](OC)C1 ZINC001082392153 924913967 /nfs/dbraw/zinc/91/39/67/924913967.db2.gz UEDMOAYFMVTPKZ-GHMZBOCLSA-N 1 2 295.408 1.321 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnc(CC)s2)[C@H](OC)C1 ZINC001082392153 924913972 /nfs/dbraw/zinc/91/39/72/924913972.db2.gz UEDMOAYFMVTPKZ-GHMZBOCLSA-N 1 2 295.408 1.321 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCOC3)[C@@H]2C1 ZINC001084245651 925189073 /nfs/dbraw/zinc/18/90/73/925189073.db2.gz ZNULISCJUPUXPO-BFHYXJOUSA-N 1 2 298.814 1.698 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCOC3)[C@@H]2C1 ZINC001084245651 925189078 /nfs/dbraw/zinc/18/90/78/925189078.db2.gz ZNULISCJUPUXPO-BFHYXJOUSA-N 1 2 298.814 1.698 20 30 CDEDLO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001084360408 925237060 /nfs/dbraw/zinc/23/70/60/925237060.db2.gz AVCRWDCFBBXFSM-GMTAPVOTSA-N 1 2 292.276 1.443 20 30 CDEDLO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001084360408 925237067 /nfs/dbraw/zinc/23/70/67/925237067.db2.gz AVCRWDCFBBXFSM-GMTAPVOTSA-N 1 2 292.276 1.443 20 30 CDEDLO C=CCCC(=O)N(C)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001101542863 936986355 /nfs/dbraw/zinc/98/63/55/936986355.db2.gz WVXBWMZNSUEIAN-UHFFFAOYSA-N 1 2 292.387 1.083 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C(C)C)no3)[C@@H]2C1 ZINC001084700861 925365164 /nfs/dbraw/zinc/36/51/64/925365164.db2.gz DAANHAVMRUGWMC-TZMCWYRMSA-N 1 2 287.363 1.578 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C(C)C)no3)[C@@H]2C1 ZINC001084700861 925365170 /nfs/dbraw/zinc/36/51/70/925365170.db2.gz DAANHAVMRUGWMC-TZMCWYRMSA-N 1 2 287.363 1.578 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)/C(C)=C/C)c1nccn12 ZINC001101622077 936994630 /nfs/dbraw/zinc/99/46/30/936994630.db2.gz KNKVAJYLEKIGEY-YFTXEMMHSA-N 1 2 286.379 1.607 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C[C@@H]21 ZINC001084946404 925514865 /nfs/dbraw/zinc/51/48/65/925514865.db2.gz ILYZQMHRLZRZLF-VWYCJHECSA-N 1 2 292.276 1.443 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C[C@@H]21 ZINC001084946404 925514877 /nfs/dbraw/zinc/51/48/77/925514877.db2.gz ILYZQMHRLZRZLF-VWYCJHECSA-N 1 2 292.276 1.443 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101960167 937032749 /nfs/dbraw/zinc/03/27/49/937032749.db2.gz DUHYVPQKRBLARB-OLZOCXBDSA-N 1 2 290.367 1.246 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccncc1F ZINC001085527382 926114525 /nfs/dbraw/zinc/11/45/25/926114525.db2.gz YUVBKNYSAYPDOQ-LLVKDONJSA-N 1 2 261.300 1.000 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccncc1F ZINC001085527382 926114536 /nfs/dbraw/zinc/11/45/36/926114536.db2.gz YUVBKNYSAYPDOQ-LLVKDONJSA-N 1 2 261.300 1.000 20 30 CDEDLO CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)c1ccc(C#N)[nH]1 ZINC001085553305 926138412 /nfs/dbraw/zinc/13/84/12/926138412.db2.gz DKKQIZKHFUVOBK-NSHDSACASA-N 1 2 264.304 1.002 20 30 CDEDLO CN(C[C@@H]1CC[N@H+]1CCF)C(=O)c1ccc(C#N)[nH]1 ZINC001085553305 926138416 /nfs/dbraw/zinc/13/84/16/926138416.db2.gz DKKQIZKHFUVOBK-NSHDSACASA-N 1 2 264.304 1.002 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)n(C(F)F)n1 ZINC001085620681 926226096 /nfs/dbraw/zinc/22/60/96/926226096.db2.gz VCWGMKFTDXGIAW-NSHDSACASA-N 1 2 296.321 1.366 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)n(C(F)F)n1 ZINC001085620681 926226103 /nfs/dbraw/zinc/22/61/03/926226103.db2.gz VCWGMKFTDXGIAW-NSHDSACASA-N 1 2 296.321 1.366 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)noc1C(F)F ZINC001085666736 926263876 /nfs/dbraw/zinc/26/38/76/926263876.db2.gz PFAOBQRPAUUUIP-JTQLQIEISA-N 1 2 297.305 1.700 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)noc1C(F)F ZINC001085666736 926263887 /nfs/dbraw/zinc/26/38/87/926263887.db2.gz PFAOBQRPAUUUIP-JTQLQIEISA-N 1 2 297.305 1.700 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1COC ZINC001085694236 926296602 /nfs/dbraw/zinc/29/66/02/926296602.db2.gz BDZSEMGCINJKAZ-OAHLLOKOSA-N 1 2 286.375 1.613 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1COC ZINC001085694236 926296608 /nfs/dbraw/zinc/29/66/08/926296608.db2.gz BDZSEMGCINJKAZ-OAHLLOKOSA-N 1 2 286.375 1.613 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(Cl)n(C)n1 ZINC001085712197 926310929 /nfs/dbraw/zinc/31/09/29/926310929.db2.gz DGRKNYWFACGDQH-LLVKDONJSA-N 1 2 294.786 1.243 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(Cl)n(C)n1 ZINC001085712197 926310937 /nfs/dbraw/zinc/31/09/37/926310937.db2.gz DGRKNYWFACGDQH-LLVKDONJSA-N 1 2 294.786 1.243 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C2CC2)on1 ZINC001085749139 926348989 /nfs/dbraw/zinc/34/89/89/926348989.db2.gz ZJGSERXEWFKAQK-ZDUSSCGKSA-N 1 2 287.363 1.722 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C2CC2)on1 ZINC001085749139 926348999 /nfs/dbraw/zinc/34/89/99/926348999.db2.gz ZJGSERXEWFKAQK-ZDUSSCGKSA-N 1 2 287.363 1.722 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OC)cs1 ZINC001085759962 926368546 /nfs/dbraw/zinc/36/85/46/926368546.db2.gz WAQBXZGMXKPQJP-LLVKDONJSA-N 1 2 278.377 1.536 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OC)cs1 ZINC001085759962 926368555 /nfs/dbraw/zinc/36/85/55/926368555.db2.gz WAQBXZGMXKPQJP-LLVKDONJSA-N 1 2 278.377 1.536 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001085812302 926419625 /nfs/dbraw/zinc/41/96/25/926419625.db2.gz AJJSWACORLZXPD-SECBINFHSA-N 1 2 282.294 1.127 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001085812302 926419631 /nfs/dbraw/zinc/41/96/31/926419631.db2.gz AJJSWACORLZXPD-SECBINFHSA-N 1 2 282.294 1.127 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1C/C=C\Cl ZINC001085826894 926428960 /nfs/dbraw/zinc/42/89/60/926428960.db2.gz BWGXDGAJXYOZDA-GZGQYIKTSA-N 1 2 298.814 1.863 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1C/C=C\Cl ZINC001085826894 926428966 /nfs/dbraw/zinc/42/89/66/926428966.db2.gz BWGXDGAJXYOZDA-GZGQYIKTSA-N 1 2 298.814 1.863 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C2CC2)n[nH]1 ZINC001085836972 926435973 /nfs/dbraw/zinc/43/59/73/926435973.db2.gz YFUVPGBRVAQFRT-GFCCVEGCSA-N 1 2 272.352 1.067 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C2CC2)n[nH]1 ZINC001085836972 926435982 /nfs/dbraw/zinc/43/59/82/926435982.db2.gz YFUVPGBRVAQFRT-GFCCVEGCSA-N 1 2 272.352 1.067 20 30 CDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001085865103 926465489 /nfs/dbraw/zinc/46/54/89/926465489.db2.gz UAVVDCDIDNDOBX-KKUMJFAQSA-N 1 2 298.402 1.860 20 30 CDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001085865103 926465493 /nfs/dbraw/zinc/46/54/93/926465493.db2.gz UAVVDCDIDNDOBX-KKUMJFAQSA-N 1 2 298.402 1.860 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C(C)C)nc1C ZINC001085921010 926508168 /nfs/dbraw/zinc/50/81/68/926508168.db2.gz QOEYTYZVOWXGDH-CQSZACIVSA-N 1 2 288.395 1.552 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C(C)C)nc1C ZINC001085921010 926508175 /nfs/dbraw/zinc/50/81/75/926508175.db2.gz QOEYTYZVOWXGDH-CQSZACIVSA-N 1 2 288.395 1.552 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1OCC ZINC001085953745 926542843 /nfs/dbraw/zinc/54/28/43/926542843.db2.gz JGPHCYALGNRPMH-CQSZACIVSA-N 1 2 286.375 1.865 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1OCC ZINC001085953745 926542851 /nfs/dbraw/zinc/54/28/51/926542851.db2.gz JGPHCYALGNRPMH-CQSZACIVSA-N 1 2 286.375 1.865 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(NC(C)=O)c1 ZINC001085969507 926555139 /nfs/dbraw/zinc/55/51/39/926555139.db2.gz CVVPYNXMWQKPGI-MRXNPFEDSA-N 1 2 299.374 1.425 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(NC(C)=O)c1 ZINC001085969507 926555144 /nfs/dbraw/zinc/55/51/44/926555144.db2.gz CVVPYNXMWQKPGI-MRXNPFEDSA-N 1 2 299.374 1.425 20 30 CDEDLO C[C@]1(O)CC[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143164868 937127127 /nfs/dbraw/zinc/12/71/27/937127127.db2.gz PRZHTHKHPCGEQH-ZDUSSCGKSA-N 1 2 252.264 1.793 20 30 CDEDLO C[C@]1(O)CC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143164868 937127129 /nfs/dbraw/zinc/12/71/29/937127129.db2.gz PRZHTHKHPCGEQH-ZDUSSCGKSA-N 1 2 252.264 1.793 20 30 CDEDLO Cc1nc(NC[C@@H](C)CNC(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001103924535 937176918 /nfs/dbraw/zinc/17/69/18/937176918.db2.gz NBTMTIWLXSBQFX-SNVBAGLBSA-N 1 2 298.350 1.463 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cc1nc(-c2ccccn2)no1 ZINC000852751911 927861822 /nfs/dbraw/zinc/86/18/22/927861822.db2.gz OOJKIHCCOGJJLR-UHFFFAOYSA-N 1 2 286.335 1.603 20 30 CDEDLO C#CCC[N@H+](CCOC)Cc1nc(-c2ccccn2)no1 ZINC000852751911 927861836 /nfs/dbraw/zinc/86/18/36/927861836.db2.gz OOJKIHCCOGJJLR-UHFFFAOYSA-N 1 2 286.335 1.603 20 30 CDEDLO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](C#N)C2)CO1 ZINC001169402498 927989267 /nfs/dbraw/zinc/98/92/67/927989267.db2.gz DEAQMCIOQFWTLJ-AVGNSLFASA-N 1 2 266.341 1.333 20 30 CDEDLO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](C#N)C2)CO1 ZINC001169402498 927989274 /nfs/dbraw/zinc/98/92/74/927989274.db2.gz DEAQMCIOQFWTLJ-AVGNSLFASA-N 1 2 266.341 1.333 20 30 CDEDLO NC(=[NH+]OCc1ncnn1CCF)c1ccc(F)cc1 ZINC000853646705 928064963 /nfs/dbraw/zinc/06/49/63/928064963.db2.gz XHWMIUOYEMJXQK-UHFFFAOYSA-N 1 2 281.266 1.224 20 30 CDEDLO COc1ccc2cnc(N3CC[NH2+]C[C@@H]3C#N)cc2c1 ZINC001156327624 928074113 /nfs/dbraw/zinc/07/41/13/928074113.db2.gz IJEIXMSBGAMFOG-ZDUSSCGKSA-N 1 2 268.320 1.545 20 30 CDEDLO C#CC[C@@H](CO)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000854540977 928229145 /nfs/dbraw/zinc/22/91/45/928229145.db2.gz DMEUUYOWNDLWKV-LSDHHAIUSA-N 1 2 297.358 1.432 20 30 CDEDLO C=CCN1CC[NH+](C2CCC(S(C)(=O)=O)CC2)CC1 ZINC001169884505 928478114 /nfs/dbraw/zinc/47/81/14/928478114.db2.gz FVWDKGLBNVKQDB-UHFFFAOYSA-N 1 2 286.441 1.146 20 30 CDEDLO C=CCOC[C@H](O)C[NH+]1CCN(CCCCC)CC1 ZINC001252466927 928497545 /nfs/dbraw/zinc/49/75/45/928497545.db2.gz TZWZUGQYFXQIPO-OAHLLOKOSA-N 1 2 270.417 1.358 20 30 CDEDLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000782585274 937255197 /nfs/dbraw/zinc/25/51/97/937255197.db2.gz RJCVPMMZJWKAFU-ZDUSSCGKSA-N 1 2 287.363 1.490 20 30 CDEDLO C[C@H]1CN(C)C(=O)C[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000782585274 937255200 /nfs/dbraw/zinc/25/52/00/937255200.db2.gz RJCVPMMZJWKAFU-ZDUSSCGKSA-N 1 2 287.363 1.490 20 30 CDEDLO C=CCN(CC(=O)OCC)Cc1[nH]c(C)c(C)[nH+]1 ZINC000862226328 929389016 /nfs/dbraw/zinc/38/90/16/929389016.db2.gz AHBYJZXHFQBASP-UHFFFAOYSA-N 1 2 251.330 1.578 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2cccc(F)c2)CC1 ZINC000128393237 929666404 /nfs/dbraw/zinc/66/64/04/929666404.db2.gz DXKDAVMIPVEXQH-VOTSOKGWSA-N 1 2 272.323 1.616 20 30 CDEDLO Cc1nc(C#N)cc(N2CCC(c3c[nH]c[nH+]3)CC2)n1 ZINC000882066326 929939546 /nfs/dbraw/zinc/93/95/46/929939546.db2.gz IJBFRLBWSDPNRZ-UHFFFAOYSA-N 1 2 268.324 1.764 20 30 CDEDLO C#C[C@H](NC(=O)[C@@H](C(CC)CC)[NH+]1CCOCC1)C(C)C ZINC000799043703 937373895 /nfs/dbraw/zinc/37/38/95/937373895.db2.gz BKWTYMGSCOISGE-JKSUJKDBSA-N 1 2 294.439 1.897 20 30 CDEDLO C#CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccon1 ZINC001153012594 937409738 /nfs/dbraw/zinc/40/97/38/937409738.db2.gz NSZFELSSDASMEH-CYBMUJFWSA-N 1 2 277.368 1.805 20 30 CDEDLO C#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccon1 ZINC001153012594 937409739 /nfs/dbraw/zinc/40/97/39/937409739.db2.gz NSZFELSSDASMEH-CYBMUJFWSA-N 1 2 277.368 1.805 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](CC)C1 ZINC000884091487 930439286 /nfs/dbraw/zinc/43/92/86/930439286.db2.gz ZSHKYNQFURNRMI-NEPJUHHUSA-N 1 2 268.357 1.082 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N(C)C[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001115759657 937418349 /nfs/dbraw/zinc/41/83/49/937418349.db2.gz KMFGBOGOJIQNJJ-RYUDHWBXSA-N 1 2 292.383 1.635 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N(C)C[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001115759655 937418634 /nfs/dbraw/zinc/41/86/34/937418634.db2.gz KMFGBOGOJIQNJJ-NEPJUHHUSA-N 1 2 292.383 1.635 20 30 CDEDLO CC[N@H+](Cc1ncccn1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153232880 937430882 /nfs/dbraw/zinc/43/08/82/937430882.db2.gz OCDGUEZJKWVLOB-CYBMUJFWSA-N 1 2 286.379 1.217 20 30 CDEDLO CC[N@@H+](Cc1ncccn1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153232880 937430883 /nfs/dbraw/zinc/43/08/83/937430883.db2.gz OCDGUEZJKWVLOB-CYBMUJFWSA-N 1 2 286.379 1.217 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)[C@@]12C[C@@H]1CCCC2 ZINC000884461108 930572822 /nfs/dbraw/zinc/57/28/22/930572822.db2.gz UWZABRLITSVRTD-LMOYCYGVSA-N 1 2 294.395 1.518 20 30 CDEDLO CC1(C)C[S@@](=O)CC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886158435 930817910 /nfs/dbraw/zinc/81/79/10/930817910.db2.gz ZDRVFYBCMDNKIQ-BUXKBTBVSA-N 1 2 284.425 1.274 20 30 CDEDLO CC1(C)C[S@@](=O)CC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886158435 930817920 /nfs/dbraw/zinc/81/79/20/930817920.db2.gz ZDRVFYBCMDNKIQ-BUXKBTBVSA-N 1 2 284.425 1.274 20 30 CDEDLO C[C@H]1CC(=O)CC[C@H]1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001116476147 937450609 /nfs/dbraw/zinc/45/06/09/937450609.db2.gz UJPHKEKHHANLMR-WCQYABFASA-N 1 2 277.368 1.096 20 30 CDEDLO C=CCN1C[C@@]2(F)C[N@@H+](CCSCC)C[C@@]2(F)C1=O ZINC001274010210 931103187 /nfs/dbraw/zinc/10/31/87/931103187.db2.gz RUHZGNUSUXEPDH-QWHCGFSZSA-N 1 2 290.379 1.500 20 30 CDEDLO C=CCN1C[C@@]2(F)C[N@H+](CCSCC)C[C@@]2(F)C1=O ZINC001274010210 931103190 /nfs/dbraw/zinc/10/31/90/931103190.db2.gz RUHZGNUSUXEPDH-QWHCGFSZSA-N 1 2 290.379 1.500 20 30 CDEDLO C#CC[C@@H]1CCN(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000887876579 931253046 /nfs/dbraw/zinc/25/30/46/931253046.db2.gz PQDOMLHYFJYIID-CQSZACIVSA-N 1 2 274.368 1.718 20 30 CDEDLO C=CCN1C[C@@]2(CC1=O)COCCN(c1cccc[nH+]1)C2 ZINC001274739382 931563665 /nfs/dbraw/zinc/56/36/65/931563665.db2.gz IHACIMWTWZGLKH-INIZCTEOSA-N 1 2 287.363 1.323 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)Nc1ccc(OCC#N)cc1 ZINC001411594870 931905751 /nfs/dbraw/zinc/90/57/51/931905751.db2.gz ALPSTTZMTUZHPC-UHFFFAOYSA-N 1 2 270.292 1.504 20 30 CDEDLO Cc1ccc(C[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c(C#N)c1 ZINC001275617033 931909493 /nfs/dbraw/zinc/90/94/93/931909493.db2.gz QTNQQSVPVWLSDJ-HOTGVXAUSA-N 1 2 271.364 1.382 20 30 CDEDLO Cc1ccc(C[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c(C#N)c1 ZINC001275617033 931909495 /nfs/dbraw/zinc/90/94/95/931909495.db2.gz QTNQQSVPVWLSDJ-HOTGVXAUSA-N 1 2 271.364 1.382 20 30 CDEDLO Cc1ccc(CN2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c(C#N)c1 ZINC001275617033 931909498 /nfs/dbraw/zinc/90/94/98/931909498.db2.gz QTNQQSVPVWLSDJ-HOTGVXAUSA-N 1 2 271.364 1.382 20 30 CDEDLO Cc1ccc(CN2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c(C#N)c1 ZINC001275617033 931909500 /nfs/dbraw/zinc/90/95/00/931909500.db2.gz QTNQQSVPVWLSDJ-HOTGVXAUSA-N 1 2 271.364 1.382 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccncn1 ZINC001275681446 931956275 /nfs/dbraw/zinc/95/62/75/931956275.db2.gz SDPWBMIBPRABFH-JTQLQIEISA-N 1 2 268.748 1.279 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccncn1 ZINC001275681446 931956284 /nfs/dbraw/zinc/95/62/84/931956284.db2.gz SDPWBMIBPRABFH-JTQLQIEISA-N 1 2 268.748 1.279 20 30 CDEDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cc(Cl)cc(C#N)c1 ZINC001275769281 932011981 /nfs/dbraw/zinc/01/19/81/932011981.db2.gz FKTMUCFCDCVQFI-BETUJISGSA-N 1 2 275.739 1.740 20 30 CDEDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cc(Cl)cc(C#N)c1 ZINC001275769281 932011987 /nfs/dbraw/zinc/01/19/87/932011987.db2.gz FKTMUCFCDCVQFI-BETUJISGSA-N 1 2 275.739 1.740 20 30 CDEDLO CC[C@H]1CCC[N@@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794626338 932151880 /nfs/dbraw/zinc/15/18/80/932151880.db2.gz HFOVXGHGZVXTJR-JTQLQIEISA-N 1 2 265.386 1.849 20 30 CDEDLO CC[C@H]1CCC[N@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794626338 932151882 /nfs/dbraw/zinc/15/18/82/932151882.db2.gz HFOVXGHGZVXTJR-JTQLQIEISA-N 1 2 265.386 1.849 20 30 CDEDLO C[C@@H](C#N)c1cccc(C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)c1 ZINC001148621811 932762798 /nfs/dbraw/zinc/76/27/98/932762798.db2.gz GGPATOQTKOLUJK-XHDPSFHLSA-N 1 2 298.346 1.370 20 30 CDEDLO C[C@@H](C#N)c1cccc(C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)c1 ZINC001148621811 932762800 /nfs/dbraw/zinc/76/28/00/932762800.db2.gz GGPATOQTKOLUJK-XHDPSFHLSA-N 1 2 298.346 1.370 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccco1)c1nccn12 ZINC001092344619 932936013 /nfs/dbraw/zinc/93/60/13/932936013.db2.gz IVGKZYBNKFGBRG-LBPRGKRZSA-N 1 2 298.346 1.548 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC ZINC001111072401 933921255 /nfs/dbraw/zinc/92/12/55/933921255.db2.gz KTAMZVRDRCCAEK-UPJWGTAASA-N 1 2 293.411 1.056 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC ZINC001111072401 933921256 /nfs/dbraw/zinc/92/12/56/933921256.db2.gz KTAMZVRDRCCAEK-UPJWGTAASA-N 1 2 293.411 1.056 20 30 CDEDLO C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#N)n1cc[nH+]c1 ZINC001111075044 933937717 /nfs/dbraw/zinc/93/77/17/933937717.db2.gz LAHNJJVGGSWJMH-SYQHCUMBSA-N 1 2 287.367 1.079 20 30 CDEDLO C=C(Br)CN1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000189549376 934461205 /nfs/dbraw/zinc/46/12/05/934461205.db2.gz UEABXTJCMDMHHT-GHMZBOCLSA-N 1 2 277.206 1.282 20 30 CDEDLO C=C(Br)CN1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000189549376 934461214 /nfs/dbraw/zinc/46/12/14/934461214.db2.gz UEABXTJCMDMHHT-GHMZBOCLSA-N 1 2 277.206 1.282 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cnn(C)c2)C1 ZINC001006891691 935368169 /nfs/dbraw/zinc/36/81/69/935368169.db2.gz NODZIJACDWGFKL-ZDUSSCGKSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cnn(C)c2)C1 ZINC001006891691 935368173 /nfs/dbraw/zinc/36/81/73/935368173.db2.gz NODZIJACDWGFKL-ZDUSSCGKSA-N 1 2 296.802 1.296 20 30 CDEDLO C[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015529918 935571248 /nfs/dbraw/zinc/57/12/48/935571248.db2.gz QDMNSJBUEUNMDC-UHOFOFEASA-N 1 2 283.375 1.905 20 30 CDEDLO C[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015529918 935571252 /nfs/dbraw/zinc/57/12/52/935571252.db2.gz QDMNSJBUEUNMDC-UHOFOFEASA-N 1 2 283.375 1.905 20 30 CDEDLO CCc1cnc(C[NH2+][C@H]2CCN(C(=O)[C@H](C)C#N)C2)o1 ZINC001018629838 935677093 /nfs/dbraw/zinc/67/70/93/935677093.db2.gz BBMRJDWHPCANAL-MNOVXSKESA-N 1 2 276.340 1.087 20 30 CDEDLO C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001038261351 935738230 /nfs/dbraw/zinc/73/82/30/935738230.db2.gz JTFOZKWBJVLSIV-OLZOCXBDSA-N 1 2 288.395 1.596 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1n[nH]c(CC)c1Cl ZINC001038341592 935741827 /nfs/dbraw/zinc/74/18/27/935741827.db2.gz OGQUNDIUNYBYHW-SECBINFHSA-N 1 2 280.759 1.063 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1n[nH]c(CC)c1Cl ZINC001038341592 935741828 /nfs/dbraw/zinc/74/18/28/935741828.db2.gz OGQUNDIUNYBYHW-SECBINFHSA-N 1 2 280.759 1.063 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)ccc1OC ZINC001038489924 935747547 /nfs/dbraw/zinc/74/75/47/935747547.db2.gz WBWSSDVIDOXERN-CYBMUJFWSA-N 1 2 272.348 1.441 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)ccc1OC ZINC001038489924 935747548 /nfs/dbraw/zinc/74/75/48/935747548.db2.gz WBWSSDVIDOXERN-CYBMUJFWSA-N 1 2 272.348 1.441 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)onc1C1CC1 ZINC001038526415 935747739 /nfs/dbraw/zinc/74/77/39/935747739.db2.gz MEZXSUJDMFUPPO-LBPRGKRZSA-N 1 2 275.352 1.851 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)onc1C1CC1 ZINC001038526415 935747742 /nfs/dbraw/zinc/74/77/42/935747742.db2.gz MEZXSUJDMFUPPO-LBPRGKRZSA-N 1 2 275.352 1.851 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC001038640378 935751102 /nfs/dbraw/zinc/75/11/02/935751102.db2.gz IPAGLORVCHLUPI-CQSZACIVSA-N 1 2 267.332 1.605 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC001038640378 935751103 /nfs/dbraw/zinc/75/11/03/935751103.db2.gz IPAGLORVCHLUPI-CQSZACIVSA-N 1 2 267.332 1.605 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C(C)C)nc1C ZINC001038904508 935762397 /nfs/dbraw/zinc/76/23/97/935762397.db2.gz DUPZZAJHDBBERI-AWEZNQCLSA-N 1 2 288.395 1.600 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(C(C)C)nc1C ZINC001038904508 935762400 /nfs/dbraw/zinc/76/24/00/935762400.db2.gz DUPZZAJHDBBERI-AWEZNQCLSA-N 1 2 288.395 1.600 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)C(C)(C)[C@@H]2CCCCO2)C1 ZINC001042734834 935828658 /nfs/dbraw/zinc/82/86/58/935828658.db2.gz DJKWVSYSYGQTTL-HNNXBMFYSA-N 1 2 292.423 1.748 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCOC[C@@H]2C)C1 ZINC001043786937 935844499 /nfs/dbraw/zinc/84/44/99/935844499.db2.gz GTOPRNXADGTFPN-JSGCOSHPSA-N 1 2 266.385 1.378 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001046828202 935976958 /nfs/dbraw/zinc/97/69/58/935976958.db2.gz YZMQMEGDLZVATI-INIZCTEOSA-N 1 2 299.378 1.728 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001046828202 935976961 /nfs/dbraw/zinc/97/69/61/935976961.db2.gz YZMQMEGDLZVATI-INIZCTEOSA-N 1 2 299.378 1.728 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC(F)F)nc1 ZINC000802406833 936042182 /nfs/dbraw/zinc/04/21/82/936042182.db2.gz QNDSIYSVNJAISQ-NSHDSACASA-N 1 2 295.289 1.719 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC(F)F)nc1 ZINC000802406833 936042184 /nfs/dbraw/zinc/04/21/84/936042184.db2.gz QNDSIYSVNJAISQ-NSHDSACASA-N 1 2 295.289 1.719 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)OCCCc1[nH+]ccn1C ZINC000802786251 936065044 /nfs/dbraw/zinc/06/50/44/936065044.db2.gz HDDOBRHVQPFQQY-UHFFFAOYSA-N 1 2 273.292 1.983 20 30 CDEDLO COc1cc2ccnc(N3CC[NH2+]C[C@@H]3C#N)c2cc1F ZINC001156332676 938352947 /nfs/dbraw/zinc/35/29/47/938352947.db2.gz LGTUEPIXENRGAY-NSHDSACASA-N 1 2 286.310 1.684 20 30 CDEDLO CCCc1nc(C[NH2+]CCCNC(=O)C#CC2CC2)no1 ZINC001157698755 938533928 /nfs/dbraw/zinc/53/39/28/938533928.db2.gz HTBGCJMPQMIBFD-UHFFFAOYSA-N 1 2 290.367 1.031 20 30 CDEDLO CC(=O)N1CCC[C@@H](CNc2[nH+]cc(C)cc2/C=N/O)C1 ZINC001157955377 938568209 /nfs/dbraw/zinc/56/82/09/938568209.db2.gz AMURVLDDJFRVRT-VVSAQIQQSA-N 1 2 290.367 1.869 20 30 CDEDLO CN(C)C(=O)[C@H]1CC12C[NH+](Cc1ccccc1C#N)C2 ZINC001278239501 945199756 /nfs/dbraw/zinc/19/97/56/945199756.db2.gz SNAPJYXZJFCJTE-CQSZACIVSA-N 1 2 269.348 1.468 20 30 CDEDLO N#CCc1cc[nH+]c(N[C@@H](Cc2ccc(O)cc2)C(O)O)c1 ZINC001159737765 938748243 /nfs/dbraw/zinc/74/82/43/938748243.db2.gz UWGUZVKFYOBUTK-AWEZNQCLSA-N 1 2 299.330 1.187 20 30 CDEDLO N=C(Nc1cc[nH+]c(N)n1)c1ccc2cc(O)ccc2c1 ZINC001160027011 938765148 /nfs/dbraw/zinc/76/51/48/938765148.db2.gz WOZRZKDNSHXPJI-UHFFFAOYSA-N 1 2 279.303 1.955 20 30 CDEDLO C#CCOCCOCCNc1[nH+]cc(C)cc1/C=N/O ZINC001160671165 938811373 /nfs/dbraw/zinc/81/13/73/938811373.db2.gz JHONQTDTUYUTCE-GZTJUZNOSA-N 1 2 277.324 1.276 20 30 CDEDLO C#CCOCCOCCNc1[nH+]ccc(F)c1C ZINC001160673352 938812049 /nfs/dbraw/zinc/81/20/49/938812049.db2.gz JSZKGCBMYANLBE-UHFFFAOYSA-N 1 2 252.289 1.607 20 30 CDEDLO Cc1ccc(NC2CN(c3cccc[nH+]3)C2)nc1C#N ZINC001161320896 938889326 /nfs/dbraw/zinc/88/93/26/938889326.db2.gz SZHGVQJWRFYTJV-UHFFFAOYSA-N 1 2 265.320 1.957 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1cc(Cl)ncc1C#N ZINC001162850206 939153085 /nfs/dbraw/zinc/15/30/85/939153085.db2.gz VKEQIYSRWVCTHL-VIFPVBQESA-N 1 2 296.758 1.688 20 30 CDEDLO Cc1nc(NC[C@H]([NH3+])C(=O)OC(C)(C)C)ccc1C#N ZINC001162854560 939154648 /nfs/dbraw/zinc/15/46/48/939154648.db2.gz QBLSLISSBDXHSI-NSHDSACASA-N 1 2 276.340 1.343 20 30 CDEDLO CCc1cc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)ccc1C#N ZINC001238779973 945246328 /nfs/dbraw/zinc/24/63/28/945246328.db2.gz ZUZGTUBWGNIBMW-HNNXBMFYSA-N 1 2 292.404 1.740 20 30 CDEDLO CCc1cc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)ccc1C#N ZINC001238779973 945246334 /nfs/dbraw/zinc/24/63/34/945246334.db2.gz ZUZGTUBWGNIBMW-HNNXBMFYSA-N 1 2 292.404 1.740 20 30 CDEDLO C[C@H]1CCCN(c2cc(N3CC[NH2+]C[C@H]3C#N)ncn2)C1 ZINC001164662546 939502735 /nfs/dbraw/zinc/50/27/35/939502735.db2.gz ZVGWPUTYFGRMBL-QWHCGFSZSA-N 1 2 286.383 1.015 20 30 CDEDLO CN(C1COC1)C1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC001203905574 939712907 /nfs/dbraw/zinc/71/29/07/939712907.db2.gz UNTLELNRMRZKCJ-UHFFFAOYSA-N 1 2 257.337 1.073 20 30 CDEDLO Cc1cccc(C[NH+]2CCN(c3nccnc3C#N)CC2)n1 ZINC001204068021 939728717 /nfs/dbraw/zinc/72/87/17/939728717.db2.gz PMONOFHSPGBURW-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC001204125455 939735497 /nfs/dbraw/zinc/73/54/97/939735497.db2.gz NBKSAJRQRQHZMJ-UHFFFAOYSA-N 1 2 290.363 1.160 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](OCCC(=O)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001205358585 939885252 /nfs/dbraw/zinc/88/52/52/939885252.db2.gz UTCWUYFTYLIFDG-RCKFOTBSSA-N 1 2 287.359 1.888 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](OCCC(=O)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001205358585 939885255 /nfs/dbraw/zinc/88/52/55/939885255.db2.gz UTCWUYFTYLIFDG-RCKFOTBSSA-N 1 2 287.359 1.888 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2ncc[nH]2)C1 ZINC001206921324 940112340 /nfs/dbraw/zinc/11/23/40/940112340.db2.gz KFVRIMOWEUATBC-ZYHUDNBSSA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2ncc[nH]2)C1 ZINC001206921324 940112342 /nfs/dbraw/zinc/11/23/42/940112342.db2.gz KFVRIMOWEUATBC-ZYHUDNBSSA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CCC)OC)C1 ZINC001208288950 940314964 /nfs/dbraw/zinc/31/49/64/940314964.db2.gz IPUUAJKHCZLTLB-RAIGVLPGSA-N 1 2 288.819 1.991 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CCC)OC)C1 ZINC001208288950 940314968 /nfs/dbraw/zinc/31/49/68/940314968.db2.gz IPUUAJKHCZLTLB-RAIGVLPGSA-N 1 2 288.819 1.991 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1C ZINC001208315302 940317387 /nfs/dbraw/zinc/31/73/87/940317387.db2.gz UBIOUMZHTWXNJL-ZYHUDNBSSA-N 1 2 294.424 1.687 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1C ZINC001208315302 940317391 /nfs/dbraw/zinc/31/73/91/940317391.db2.gz UBIOUMZHTWXNJL-ZYHUDNBSSA-N 1 2 294.424 1.687 20 30 CDEDLO C=CCC[C@@H](C)[NH2+]Cc1noc(C(=O)N(C)C)n1 ZINC001258717882 945390518 /nfs/dbraw/zinc/39/05/18/945390518.db2.gz XPJPPOWAYZQOMX-SECBINFHSA-N 1 2 252.318 1.216 20 30 CDEDLO C#CCOc1ccc(C[NH+]2CC3(CCN3C)C2)cc1 ZINC001276664234 940625807 /nfs/dbraw/zinc/62/58/07/940625807.db2.gz PPIJBWXRTBTKLB-UHFFFAOYSA-N 1 2 256.349 1.589 20 30 CDEDLO C#CC[NH+]1CCN(Cc2n[nH]c3ccc(Cl)cc32)CC1 ZINC001209760460 940638649 /nfs/dbraw/zinc/63/86/49/940638649.db2.gz XFECQYADVYHUIO-UHFFFAOYSA-N 1 2 288.782 1.967 20 30 CDEDLO C#CC[NH+]1CCN(Cc2[nH]nc3ccc(Cl)cc32)CC1 ZINC001209760460 940638651 /nfs/dbraw/zinc/63/86/51/940638651.db2.gz XFECQYADVYHUIO-UHFFFAOYSA-N 1 2 288.782 1.967 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1-c1ccc(C#N)cc1C ZINC001210374227 940687112 /nfs/dbraw/zinc/68/71/12/940687112.db2.gz IQWMNOBCBIRJOU-UHFFFAOYSA-N 1 2 270.292 1.811 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001213320130 940769347 /nfs/dbraw/zinc/76/93/47/940769347.db2.gz NJQXVVGHMWCYJV-YNEHKIRRSA-N 1 2 272.364 1.374 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001213320130 940769349 /nfs/dbraw/zinc/76/93/49/940769349.db2.gz NJQXVVGHMWCYJV-YNEHKIRRSA-N 1 2 272.364 1.374 20 30 CDEDLO C/C=C(/C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001219434821 941344027 /nfs/dbraw/zinc/34/40/27/941344027.db2.gz ONGYUSLICSQWDU-KMUJQGIJSA-N 1 2 298.386 1.166 20 30 CDEDLO C/C=C(/C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001219434821 941344031 /nfs/dbraw/zinc/34/40/31/941344031.db2.gz ONGYUSLICSQWDU-KMUJQGIJSA-N 1 2 298.386 1.166 20 30 CDEDLO C#C[C@H](OCCCCC(=[NH2+])OCC)C(=O)OCC ZINC001224966324 941809770 /nfs/dbraw/zinc/80/97/70/941809770.db2.gz PQHDOVMLMIVMER-NSHDSACASA-N 1 2 255.314 1.752 20 30 CDEDLO CC(C)c1ccc(C#N)c(OC[C@@H]2C[N@H+](C)CCO2)n1 ZINC001226354163 941992076 /nfs/dbraw/zinc/99/20/76/941992076.db2.gz PCLHZZKCMWXBJX-ZDUSSCGKSA-N 1 2 275.352 1.786 20 30 CDEDLO CC(C)c1ccc(C#N)c(OC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001226354163 941992079 /nfs/dbraw/zinc/99/20/79/941992079.db2.gz PCLHZZKCMWXBJX-ZDUSSCGKSA-N 1 2 275.352 1.786 20 30 CDEDLO C=CCCC(=O)NC1CC[NH+](Cc2ccn(CC)n2)CC1 ZINC001226535203 942022853 /nfs/dbraw/zinc/02/28/53/942022853.db2.gz QPQTVFRHYBYMGU-UHFFFAOYSA-N 1 2 290.411 1.950 20 30 CDEDLO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC001226841514 942081865 /nfs/dbraw/zinc/08/18/65/942081865.db2.gz NQQNXLYZMPYFMQ-GAAPNJIFSA-N 1 2 290.319 1.894 20 30 CDEDLO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC001226841514 942081871 /nfs/dbraw/zinc/08/18/71/942081871.db2.gz NQQNXLYZMPYFMQ-GAAPNJIFSA-N 1 2 290.319 1.894 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2ccc(Cl)cc2C#N)C1 ZINC001227205322 942150395 /nfs/dbraw/zinc/15/03/95/942150395.db2.gz HHNQVGIVAPGLNL-GFCCVEGCSA-N 1 2 266.728 1.921 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2ccc(Cl)cc2C#N)C1 ZINC001227205322 942150396 /nfs/dbraw/zinc/15/03/96/942150396.db2.gz HHNQVGIVAPGLNL-GFCCVEGCSA-N 1 2 266.728 1.921 20 30 CDEDLO C=C(C)CCC(=O)NC1CC[NH+](Cc2cnns2)CC1 ZINC001227596762 942192726 /nfs/dbraw/zinc/19/27/26/942192726.db2.gz KSWNCMMVKMIJGA-UHFFFAOYSA-N 1 2 294.424 1.975 20 30 CDEDLO COc1ccc(O[C@H](C)C[NH+]2CCOCC2)c(C#N)c1 ZINC001228117955 942270365 /nfs/dbraw/zinc/27/03/65/942270365.db2.gz TYMXRZMUQNPMPB-GFCCVEGCSA-N 1 2 276.336 1.666 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nccc4cccnc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228812151 942380249 /nfs/dbraw/zinc/38/02/49/942380249.db2.gz ZHXZDAJSOZBWFL-KYFMZXIUSA-N 1 2 283.331 1.621 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nccc4cccnc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228812151 942380251 /nfs/dbraw/zinc/38/02/51/942380251.db2.gz ZHXZDAJSOZBWFL-KYFMZXIUSA-N 1 2 283.331 1.621 20 30 CDEDLO C=CCCCC(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001228927597 942395781 /nfs/dbraw/zinc/39/57/81/942395781.db2.gz GIXZQWLBJBCRCU-UHFFFAOYSA-N 1 2 288.395 1.914 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(C#N)cc3C#N)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229034891 942410626 /nfs/dbraw/zinc/41/06/26/942410626.db2.gz YZGXMYGOYZLQRZ-NQPNPBMCSA-N 1 2 281.315 1.421 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(C#N)cc3C#N)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229034891 942410629 /nfs/dbraw/zinc/41/06/29/942410629.db2.gz YZGXMYGOYZLQRZ-NQPNPBMCSA-N 1 2 281.315 1.421 20 30 CDEDLO C[N@@H+]1CC[C@H](Oc2ccc(O)c3c2C(=O)C=CC3=O)C1 ZINC001229406063 942466429 /nfs/dbraw/zinc/46/64/29/942466429.db2.gz JGHAKSAZVNNJKI-VIFPVBQESA-N 1 2 273.288 1.410 20 30 CDEDLO C[N@H+]1CC[C@H](Oc2ccc(O)c3c2C(=O)C=CC3=O)C1 ZINC001229406063 942466431 /nfs/dbraw/zinc/46/64/31/942466431.db2.gz JGHAKSAZVNNJKI-VIFPVBQESA-N 1 2 273.288 1.410 20 30 CDEDLO COC[C@@H](C)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230533403 942632414 /nfs/dbraw/zinc/63/24/14/942632414.db2.gz LSHJDRWHVUYAIQ-UKRRQHHQSA-N 1 2 293.411 1.495 20 30 CDEDLO COC[C@@H](C)C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001230533403 942632419 /nfs/dbraw/zinc/63/24/19/942632419.db2.gz LSHJDRWHVUYAIQ-UKRRQHHQSA-N 1 2 293.411 1.495 20 30 CDEDLO CCCOCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230533890 942633426 /nfs/dbraw/zinc/63/34/26/942633426.db2.gz VPERGCRKQAQVRM-HNNXBMFYSA-N 1 2 293.411 1.640 20 30 CDEDLO CCCOCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001230533890 942633428 /nfs/dbraw/zinc/63/34/28/942633428.db2.gz VPERGCRKQAQVRM-HNNXBMFYSA-N 1 2 293.411 1.640 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC ZINC001230562907 942643124 /nfs/dbraw/zinc/64/31/24/942643124.db2.gz VQCUDPQAMLASRN-CQSZACIVSA-N 1 2 293.411 1.130 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC ZINC001230562907 942643126 /nfs/dbraw/zinc/64/31/26/942643126.db2.gz VQCUDPQAMLASRN-CQSZACIVSA-N 1 2 293.411 1.130 20 30 CDEDLO Cc1ccnc2[nH]c(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@H+]4C)nc21 ZINC001231063935 942772226 /nfs/dbraw/zinc/77/22/26/942772226.db2.gz WEFOPQBBUSJXBA-NJFCNUMCSA-N 1 2 286.335 1.258 20 30 CDEDLO Cc1ccnc2[nH]c(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@@H+]4C)nc21 ZINC001231063935 942772229 /nfs/dbraw/zinc/77/22/29/942772229.db2.gz WEFOPQBBUSJXBA-NJFCNUMCSA-N 1 2 286.335 1.258 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)OCCC=C ZINC001231095302 942783753 /nfs/dbraw/zinc/78/37/53/942783753.db2.gz OZQFWWDLYZYKGA-KBPBESRZSA-N 1 2 264.369 1.134 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)OCCC=C ZINC001231095302 942783756 /nfs/dbraw/zinc/78/37/56/942783756.db2.gz OZQFWWDLYZYKGA-KBPBESRZSA-N 1 2 264.369 1.134 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NCCC ZINC001231122807 942793213 /nfs/dbraw/zinc/79/32/13/942793213.db2.gz OGJZFIVPHKWVTO-CYBMUJFWSA-N 1 2 281.400 1.012 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NCCC ZINC001231122807 942793215 /nfs/dbraw/zinc/79/32/15/942793215.db2.gz OGJZFIVPHKWVTO-CYBMUJFWSA-N 1 2 281.400 1.012 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cncs1 ZINC001231292227 942845093 /nfs/dbraw/zinc/84/50/93/942845093.db2.gz BOYCZLQCIUQOEP-QWRGUYRKSA-N 1 2 278.381 1.335 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cncs1 ZINC001231292227 942845097 /nfs/dbraw/zinc/84/50/97/942845097.db2.gz BOYCZLQCIUQOEP-QWRGUYRKSA-N 1 2 278.381 1.335 20 30 CDEDLO N#Cc1ccnc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)c1 ZINC001232477600 943290748 /nfs/dbraw/zinc/29/07/48/943290748.db2.gz CIVCTYWWBFSBNB-LBPRGKRZSA-N 1 2 260.316 1.181 20 30 CDEDLO N#Cc1ccnc(CN2CC([N@H+]3CC[C@H](F)C3)C2)c1 ZINC001232477600 943290752 /nfs/dbraw/zinc/29/07/52/943290752.db2.gz CIVCTYWWBFSBNB-LBPRGKRZSA-N 1 2 260.316 1.181 20 30 CDEDLO N#Cc1ccc(N2CC3(C2)C[NH+](Cc2ccc[nH]2)C3)nc1 ZINC001277687782 943335716 /nfs/dbraw/zinc/33/57/16/943335716.db2.gz XYDNHSABGPRPNZ-UHFFFAOYSA-N 1 2 279.347 1.604 20 30 CDEDLO CC(C)[NH+]1CCN(Cc2cc(C#N)ccc2O)CC1 ZINC001232673709 943354365 /nfs/dbraw/zinc/35/43/65/943354365.db2.gz LNQZDXHETLDGTI-UHFFFAOYSA-N 1 2 259.353 1.790 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2O)CC[C@]1(C)O ZINC001232674216 943356403 /nfs/dbraw/zinc/35/64/03/943356403.db2.gz SYVJORSZJRSHNJ-ABAIWWIYSA-N 1 2 260.337 1.857 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2O)CC[C@]1(C)O ZINC001232674216 943356410 /nfs/dbraw/zinc/35/64/10/943356410.db2.gz SYVJORSZJRSHNJ-ABAIWWIYSA-N 1 2 260.337 1.857 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c1 ZINC001232677652 943359397 /nfs/dbraw/zinc/35/93/97/943359397.db2.gz GNSYEVQNRRJQJI-CYBMUJFWSA-N 1 2 271.320 1.070 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)c1 ZINC001232677652 943359406 /nfs/dbraw/zinc/35/94/06/943359406.db2.gz GNSYEVQNRRJQJI-CYBMUJFWSA-N 1 2 271.320 1.070 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC001232677229 943359546 /nfs/dbraw/zinc/35/95/46/943359546.db2.gz DCILFRHIELODPP-AWEZNQCLSA-N 1 2 283.335 1.692 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC001232677229 943359552 /nfs/dbraw/zinc/35/95/52/943359552.db2.gz DCILFRHIELODPP-AWEZNQCLSA-N 1 2 283.335 1.692 20 30 CDEDLO C[C@]1(CO)CC[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1O ZINC001232888408 943426275 /nfs/dbraw/zinc/42/62/75/943426275.db2.gz BNQDPRPOZQCHRX-HUUCEWRRSA-N 1 2 278.327 1.263 20 30 CDEDLO C[C@]1(CO)CC[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1O ZINC001232888408 943426277 /nfs/dbraw/zinc/42/62/77/943426277.db2.gz BNQDPRPOZQCHRX-HUUCEWRRSA-N 1 2 278.327 1.263 20 30 CDEDLO COC(=O)[C@H]1C[N@H+](Cc2[nH]ccc2C#N)CC12CC2 ZINC001233048381 943476304 /nfs/dbraw/zinc/47/63/04/943476304.db2.gz DMCSASUJVOGEHA-LLVKDONJSA-N 1 2 259.309 1.271 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+](Cc2[nH]ccc2C#N)CC12CC2 ZINC001233048381 943476306 /nfs/dbraw/zinc/47/63/06/943476306.db2.gz DMCSASUJVOGEHA-LLVKDONJSA-N 1 2 259.309 1.271 20 30 CDEDLO CN(C)c1ccc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c(F)c1C#N ZINC001233097594 943489607 /nfs/dbraw/zinc/48/96/07/943489607.db2.gz WVZDVYCQXOOPQJ-TZMCWYRMSA-N 1 2 295.333 1.668 20 30 CDEDLO CN(C)c1ccc(C[N@H+]2CC[C@@H](F)[C@H](O)C2)c(F)c1C#N ZINC001233097594 943489608 /nfs/dbraw/zinc/48/96/08/943489608.db2.gz WVZDVYCQXOOPQJ-TZMCWYRMSA-N 1 2 295.333 1.668 20 30 CDEDLO N#CCC1C[NH+](Cc2cc(Br)c[nH]c2=O)C1 ZINC001233183292 943506452 /nfs/dbraw/zinc/50/64/52/943506452.db2.gz YVHBPRXTAQUNOW-UHFFFAOYSA-N 1 2 282.141 1.895 20 30 CDEDLO C#CCN1CC[NH+](Cc2ccc(C#N)cc2O)CC1 ZINC001233387177 943573078 /nfs/dbraw/zinc/57/30/78/943573078.db2.gz YFUXVNYHFLPAGC-UHFFFAOYSA-N 1 2 255.321 1.015 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC1CCC1 ZINC001233521032 943608020 /nfs/dbraw/zinc/60/80/20/943608020.db2.gz QNDGXCXAARIFFL-CQSZACIVSA-N 1 2 293.411 1.012 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1CCC1 ZINC001233521032 943608024 /nfs/dbraw/zinc/60/80/24/943608024.db2.gz QNDGXCXAARIFFL-CQSZACIVSA-N 1 2 293.411 1.012 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(-c3coc(C)c3)n2C)CC1 ZINC001262883782 943708117 /nfs/dbraw/zinc/70/81/17/943708117.db2.gz WEJHDPRAJHLJKN-UHFFFAOYSA-N 1 2 285.351 1.139 20 30 CDEDLO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001234510264 943873953 /nfs/dbraw/zinc/87/39/53/943873953.db2.gz WFXYADPHHJKYMN-OCCSQVGLSA-N 1 2 293.411 1.161 20 30 CDEDLO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001234510264 943873960 /nfs/dbraw/zinc/87/39/60/943873960.db2.gz WFXYADPHHJKYMN-OCCSQVGLSA-N 1 2 293.411 1.161 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Oc1ccccc1C=NO ZINC001234821153 943954140 /nfs/dbraw/zinc/95/41/40/943954140.db2.gz DNSLDPUSYMJDJE-GFCCVEGCSA-N 1 2 264.325 1.594 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccccc2C(=O)OC)CC1 ZINC000383876872 943978019 /nfs/dbraw/zinc/97/80/19/943978019.db2.gz VOOPDRSDFXUIEZ-UHFFFAOYSA-N 1 2 272.348 1.224 20 30 CDEDLO Cc1ncsc1C[N@H+]1C[C@H]2CN(CCC#N)C[C@@H](C1)O2 ZINC001277939113 944131888 /nfs/dbraw/zinc/13/18/88/944131888.db2.gz NAJSWNKKJSKBFB-BETUJISGSA-N 1 2 292.408 1.250 20 30 CDEDLO Cc1ncsc1C[N@@H+]1C[C@H]2CN(CCC#N)C[C@@H](C1)O2 ZINC001277939113 944131890 /nfs/dbraw/zinc/13/18/90/944131890.db2.gz NAJSWNKKJSKBFB-BETUJISGSA-N 1 2 292.408 1.250 20 30 CDEDLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237473079 944800614 /nfs/dbraw/zinc/80/06/14/944800614.db2.gz RJMKVVXVBDYSCO-LBPRGKRZSA-N 1 2 296.374 1.712 20 30 CDEDLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237473079 944800615 /nfs/dbraw/zinc/80/06/15/944800615.db2.gz RJMKVVXVBDYSCO-LBPRGKRZSA-N 1 2 296.374 1.712 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(F)cc(OCC)c2)CC1 ZINC001237921457 945007968 /nfs/dbraw/zinc/00/79/68/945007968.db2.gz PZAVBDASUYLMFJ-UHFFFAOYSA-N 1 2 276.355 1.975 20 30 CDEDLO C=CCC[C@H](C)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001258721237 945392678 /nfs/dbraw/zinc/39/26/78/945392678.db2.gz QICXZEWKJUPDRA-AAEUAGOBSA-N 1 2 265.357 1.449 20 30 CDEDLO C=CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1c(C)noc1C ZINC001258771203 945407222 /nfs/dbraw/zinc/40/72/22/945407222.db2.gz PANJCIOYPKJCQX-LBPRGKRZSA-N 1 2 299.396 1.220 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c(C)noc1C ZINC001258771203 945407228 /nfs/dbraw/zinc/40/72/28/945407228.db2.gz PANJCIOYPKJCQX-LBPRGKRZSA-N 1 2 299.396 1.220 20 30 CDEDLO C=CC[C@H]1NC(=O)N(Cc2c[nH+]c(C)cc2C)C1=O ZINC001261384144 946087097 /nfs/dbraw/zinc/08/70/97/946087097.db2.gz HCZXDVJBMJNZPW-GFCCVEGCSA-N 1 2 259.309 1.695 20 30 CDEDLO CC(=O)N1CCC([N@H+](CCC#N)Cc2cccnc2)CC1 ZINC001254424526 947435882 /nfs/dbraw/zinc/43/58/82/947435882.db2.gz WDVHOMCCEBYTBQ-UHFFFAOYSA-N 1 2 286.379 1.808 20 30 CDEDLO CC(=O)N1CCC([N@@H+](CCC#N)Cc2cccnc2)CC1 ZINC001254424526 947435888 /nfs/dbraw/zinc/43/58/88/947435888.db2.gz WDVHOMCCEBYTBQ-UHFFFAOYSA-N 1 2 286.379 1.808 20 30 CDEDLO COC(=O)[C@@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C1CCOCC1 ZINC001254637447 947563445 /nfs/dbraw/zinc/56/34/45/947563445.db2.gz PCJCTSAOKZPNCV-WXHSDQCUSA-N 1 2 266.341 1.236 20 30 CDEDLO CCOC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001256033701 948169946 /nfs/dbraw/zinc/16/99/46/948169946.db2.gz SSCXTKQHZRIDAT-NEPJUHHUSA-N 1 2 296.392 1.491 20 30 CDEDLO CCOC(=O)N1CC[C@@H]([N@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001256033701 948169951 /nfs/dbraw/zinc/16/99/51/948169951.db2.gz SSCXTKQHZRIDAT-NEPJUHHUSA-N 1 2 296.392 1.491 20 30 CDEDLO C#CC[C@H]([NH2+]C1CCC(OCC)CC1)C(=O)OC ZINC001256431451 948321030 /nfs/dbraw/zinc/32/10/30/948321030.db2.gz AHLHKACYEMNSQG-BPCQOVAHSA-N 1 2 253.342 1.489 20 30 CDEDLO N#CC1CCC([NH2+][C@@H]2Oc3ccc(CCO)cc3O2)CC1 ZINC001256964155 948464899 /nfs/dbraw/zinc/46/48/99/948464899.db2.gz WFQLVKYZPPNQOF-SEEARECTSA-N 1 2 288.347 1.948 20 30 CDEDLO C=C1C[C@@H]2CC([NH2+][C@H](CC(N)=O)C(=O)OC)C[C@H](C1)C2 ZINC001257890401 948655671 /nfs/dbraw/zinc/65/56/71/948655671.db2.gz KDZJQNAYFGNQGF-ZGVCCVRISA-N 1 2 280.368 1.128 20 30 CDEDLO C#CC[NH+]1CCN(Cc2nc3cc(OC)ccc3[nH]2)CC1 ZINC001249414818 949585437 /nfs/dbraw/zinc/58/54/37/949585437.db2.gz XSZHRHSHONOISL-UHFFFAOYSA-N 1 2 284.363 1.322 20 30 CDEDLO Cn1cnc(Nc2cc[nH+]cc2C(F)(F)F)c1C#N ZINC001249585926 949684944 /nfs/dbraw/zinc/68/49/44/949684944.db2.gz GSFIKUWAHITBSG-UHFFFAOYSA-N 1 2 267.214 1.871 20 30 CDEDLO C#CCOC[C@@H](O)C[N@@H+]1CCc2nc(Cl)ccc2C1 ZINC001251847627 950867349 /nfs/dbraw/zinc/86/73/49/950867349.db2.gz JNDJPGHQSUUQBK-LBPRGKRZSA-N 1 2 280.755 1.104 20 30 CDEDLO C#CCOC[C@@H](O)C[N@H+]1CCc2nc(Cl)ccc2C1 ZINC001251847627 950867358 /nfs/dbraw/zinc/86/73/58/950867358.db2.gz JNDJPGHQSUUQBK-LBPRGKRZSA-N 1 2 280.755 1.104 20 30 CDEDLO C=CCOC[C@H](O)CNc1cc(Cl)c2[nH+]ccn2c1 ZINC001252455550 951296212 /nfs/dbraw/zinc/29/62/12/951296212.db2.gz CKUNXKUAUHCULY-LLVKDONJSA-N 1 2 281.743 1.963 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1Cc2nnn(C)c2[C@H](COCC)C1 ZINC001252595432 951490583 /nfs/dbraw/zinc/49/05/83/951490583.db2.gz HPMINWWUWPZSSW-QWHCGFSZSA-N 1 2 294.399 1.078 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1Cc2nnn(C)c2[C@H](COCC)C1 ZINC001252595432 951490591 /nfs/dbraw/zinc/49/05/91/951490591.db2.gz HPMINWWUWPZSSW-QWHCGFSZSA-N 1 2 294.399 1.078 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC001364444109 954620788 /nfs/dbraw/zinc/62/07/88/954620788.db2.gz LSGDTWNESYDNAP-IUCAKERBSA-N 1 2 287.323 1.487 20 30 CDEDLO CCC[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001421652430 955453268 /nfs/dbraw/zinc/45/32/68/955453268.db2.gz UYAWXLLVDDOQCE-HUUCEWRRSA-N 1 2 287.363 1.192 20 30 CDEDLO CCC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001421652430 955453275 /nfs/dbraw/zinc/45/32/75/955453275.db2.gz UYAWXLLVDDOQCE-HUUCEWRRSA-N 1 2 287.363 1.192 20 30 CDEDLO C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccn(C)n1 ZINC001421861096 955606547 /nfs/dbraw/zinc/60/65/47/955606547.db2.gz GWTQOLJKABTXKE-GFCCVEGCSA-N 1 2 297.362 1.259 20 30 CDEDLO N#C[C@@H]1CC[C@@H]([NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)C1 ZINC001329113980 955694161 /nfs/dbraw/zinc/69/41/61/955694161.db2.gz LRBDOZLVCDTPBO-MXWKQRLJSA-N 1 2 261.329 1.438 20 30 CDEDLO N#C[C@@H]1CC[C@@H]([NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)C1 ZINC001329113976 955695195 /nfs/dbraw/zinc/69/51/95/955695195.db2.gz LRBDOZLVCDTPBO-GMTAPVOTSA-N 1 2 261.329 1.438 20 30 CDEDLO N#CCOc1ccc(NC(=O)NCc2ccc[nH+]c2N)cc1 ZINC001365755085 956341165 /nfs/dbraw/zinc/34/11/65/956341165.db2.gz HRCLWCXLSYNYTG-UHFFFAOYSA-N 1 2 297.318 1.888 20 30 CDEDLO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1nnnn1C ZINC001308133519 956473770 /nfs/dbraw/zinc/47/37/70/956473770.db2.gz BKUOSGLWIADVHP-JTQLQIEISA-N 1 2 256.313 1.127 20 30 CDEDLO CS(=O)(=O)c1cccc(C[NH2+]CC2(C#N)CC2)c1 ZINC001308546293 956543794 /nfs/dbraw/zinc/54/37/94/956543794.db2.gz MHAWQMKXYZMXPE-UHFFFAOYSA-N 1 2 264.350 1.483 20 30 CDEDLO C#CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)C(=O)OC ZINC001308813030 956583987 /nfs/dbraw/zinc/58/39/87/956583987.db2.gz NOCQRSFYDXNZLY-FGNRJIRKSA-N 1 2 253.367 1.568 20 30 CDEDLO C=CCC1(O)C[NH+]([C@H]2CCC3(C[C@@H]2F)OCCO3)C1 ZINC001308979903 956609369 /nfs/dbraw/zinc/60/93/69/956609369.db2.gz JIRFMUAYDCJNED-RYUDHWBXSA-N 1 2 271.332 1.243 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cn(C)c(C)cc2=O)CC1 ZINC001313444968 956861187 /nfs/dbraw/zinc/86/11/87/956861187.db2.gz AXUBUNXDMJNTNE-UHFFFAOYSA-N 1 2 289.379 1.028 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnn2cc[nH]c12 ZINC001366641577 957067506 /nfs/dbraw/zinc/06/75/06/957067506.db2.gz PWJRSHCLECNMJS-UHFFFAOYSA-N 1 2 295.774 1.467 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnn2cc[nH]c12 ZINC001366641577 957067522 /nfs/dbraw/zinc/06/75/22/957067522.db2.gz PWJRSHCLECNMJS-UHFFFAOYSA-N 1 2 295.774 1.467 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)COC(C)C)C1CC1 ZINC001366732153 957146924 /nfs/dbraw/zinc/14/69/24/957146924.db2.gz KJVTWYJGTLOMMY-UHFFFAOYSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)COC(C)C)C1CC1 ZINC001366732153 957146928 /nfs/dbraw/zinc/14/69/28/957146928.db2.gz KJVTWYJGTLOMMY-UHFFFAOYSA-N 1 2 274.792 1.745 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC001319656713 958674936 /nfs/dbraw/zinc/67/49/36/958674936.db2.gz PEECMAQRZKUMJJ-UHFFFAOYSA-N 1 2 296.330 1.690 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC001319656713 958674945 /nfs/dbraw/zinc/67/49/45/958674945.db2.gz PEECMAQRZKUMJJ-UHFFFAOYSA-N 1 2 296.330 1.690 20 30 CDEDLO C#CC[NH+]1CCN(Cn2nc(C)nc2-c2ccccc2)CC1 ZINC001322368001 960195695 /nfs/dbraw/zinc/19/56/95/960195695.db2.gz VSLASWYQBHPVKI-UHFFFAOYSA-N 1 2 295.390 1.462 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)C1CC[NH+](Cc2nccs2)CC1 ZINC001419073680 961338467 /nfs/dbraw/zinc/33/84/67/961338467.db2.gz RKOHPZATJAARCV-LLVKDONJSA-N 1 2 292.408 1.726 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cncc(OC)n1 ZINC001420025741 962387148 /nfs/dbraw/zinc/38/71/48/962387148.db2.gz BJBHUJPKYCOQDB-UHFFFAOYSA-N 1 2 298.774 1.242 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cncc(OC)n1 ZINC001420025741 962387165 /nfs/dbraw/zinc/38/71/65/962387165.db2.gz BJBHUJPKYCOQDB-UHFFFAOYSA-N 1 2 298.774 1.242 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(Cl)no1 ZINC001437550582 963009421 /nfs/dbraw/zinc/00/94/21/963009421.db2.gz OBGOGKQJJUGMHS-UHFFFAOYSA-N 1 2 278.139 1.742 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(Cl)no1 ZINC001437550582 963009432 /nfs/dbraw/zinc/00/94/32/963009432.db2.gz OBGOGKQJJUGMHS-UHFFFAOYSA-N 1 2 278.139 1.742 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCc2cn[nH]c2)C1 ZINC001438142963 963339968 /nfs/dbraw/zinc/33/99/68/963339968.db2.gz SDAKJLJWIWMORN-UHFFFAOYSA-N 1 2 282.775 1.143 20 30 CDEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)CCOC ZINC001342003730 963606200 /nfs/dbraw/zinc/60/62/00/963606200.db2.gz MRWAVJTXDOSBNH-ZDUSSCGKSA-N 1 2 293.415 1.704 20 30 CDEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)CCOC ZINC001342003730 963606205 /nfs/dbraw/zinc/60/62/05/963606205.db2.gz MRWAVJTXDOSBNH-ZDUSSCGKSA-N 1 2 293.415 1.704 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccnnc1C ZINC001440958737 964289463 /nfs/dbraw/zinc/28/94/63/964289463.db2.gz WKJRNXJNIYMMND-JTQLQIEISA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccnnc1C ZINC001440958737 964289471 /nfs/dbraw/zinc/28/94/71/964289471.db2.gz WKJRNXJNIYMMND-JTQLQIEISA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1nc(C)c[nH]1 ZINC001440977082 964304485 /nfs/dbraw/zinc/30/44/85/964304485.db2.gz NFRLQDXRUZHEDM-SNVBAGLBSA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1nc(C)c[nH]1 ZINC001440977082 964304492 /nfs/dbraw/zinc/30/44/92/964304492.db2.gz NFRLQDXRUZHEDM-SNVBAGLBSA-N 1 2 270.764 1.521 20 30 CDEDLO C=CCn1cnnc1SCC[N@@H+]1CCO[C@@H](C)C1 ZINC001345055315 964554979 /nfs/dbraw/zinc/55/49/79/964554979.db2.gz HOLYEZVKGMEZBA-NSHDSACASA-N 1 2 268.386 1.277 20 30 CDEDLO C=CCn1cnnc1SCC[N@H+]1CCO[C@@H](C)C1 ZINC001345055315 964554986 /nfs/dbraw/zinc/55/49/86/964554986.db2.gz HOLYEZVKGMEZBA-NSHDSACASA-N 1 2 268.386 1.277 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CN(C)c1ccccc1 ZINC001442616969 965138202 /nfs/dbraw/zinc/13/82/02/965138202.db2.gz ZRZYSNAWHSZREJ-UHFFFAOYSA-N 1 2 295.814 1.923 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CN(C)c1ccccc1 ZINC001442616969 965138208 /nfs/dbraw/zinc/13/82/08/965138208.db2.gz ZRZYSNAWHSZREJ-UHFFFAOYSA-N 1 2 295.814 1.923 20 30 CDEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2CCC[N@@H+]2C)n1CC1CC1 ZINC001347951787 965762535 /nfs/dbraw/zinc/76/25/35/965762535.db2.gz RLISAIIOQVZXHD-JSGCOSHPSA-N 1 2 287.411 1.913 20 30 CDEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2CCC[N@H+]2C)n1CC1CC1 ZINC001347951787 965762540 /nfs/dbraw/zinc/76/25/40/965762540.db2.gz RLISAIIOQVZXHD-JSGCOSHPSA-N 1 2 287.411 1.913 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccco2)C1 ZINC001446744500 966629201 /nfs/dbraw/zinc/62/92/01/966629201.db2.gz OPEQHFKZTACYKC-CYBMUJFWSA-N 1 2 284.743 1.199 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccco2)C1 ZINC001446744500 966629204 /nfs/dbraw/zinc/62/92/04/966629204.db2.gz OPEQHFKZTACYKC-CYBMUJFWSA-N 1 2 284.743 1.199 20 30 CDEDLO C=C(C)CCC(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001100167209 967533289 /nfs/dbraw/zinc/53/32/89/967533289.db2.gz IVFHBVFFEFTWAP-UHFFFAOYSA-N 1 2 262.357 1.694 20 30 CDEDLO C[N@H+](CCCF)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC001353217285 967790725 /nfs/dbraw/zinc/79/07/25/967790725.db2.gz YCLOLIFTBLSZKJ-UHFFFAOYSA-N 1 2 263.316 1.458 20 30 CDEDLO C[N@@H+](CCCF)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC001353217285 967790735 /nfs/dbraw/zinc/79/07/35/967790735.db2.gz YCLOLIFTBLSZKJ-UHFFFAOYSA-N 1 2 263.316 1.458 20 30 CDEDLO C#Cc1ccc(NCC2([NH+]3CCOCC3)CC2)nc1 ZINC001354178291 968524546 /nfs/dbraw/zinc/52/45/46/968524546.db2.gz QRBZKUHMPHAMED-UHFFFAOYSA-N 1 2 257.337 1.340 20 30 CDEDLO CN(C)c1[nH+]cc(/C=C2/S/C(=N/C3CC3)NC2=O)n1C ZINC000849250980 969921554 /nfs/dbraw/zinc/92/15/54/969921554.db2.gz BNEULSCDFIMJCP-UXBLZVDNSA-N 1 2 291.380 1.208 20 30 CDEDLO C[C@H](C#N)C(=O)NC1C[NH+](CCCc2cccc(F)c2)C1 ZINC001373419598 973429518 /nfs/dbraw/zinc/42/95/18/973429518.db2.gz ZTALTLSICQGLHP-GFCCVEGCSA-N 1 2 289.354 1.718 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC1C[NH+](Cc2ccc(F)cc2F)C1 ZINC001373500663 973469082 /nfs/dbraw/zinc/46/90/82/973469082.db2.gz AJOCDXIYWLPGKZ-JTQLQIEISA-N 1 2 293.317 1.672 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1cnns1 ZINC001377471964 975041185 /nfs/dbraw/zinc/04/11/85/975041185.db2.gz GOPWIWWLQSKLQG-SNVBAGLBSA-N 1 2 281.385 1.026 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1cnns1 ZINC001377471964 975041186 /nfs/dbraw/zinc/04/11/86/975041186.db2.gz GOPWIWWLQSKLQG-SNVBAGLBSA-N 1 2 281.385 1.026 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cnc(C)[nH]1)C1CC1 ZINC001377515427 975060289 /nfs/dbraw/zinc/06/02/89/975060289.db2.gz AVPCZYASYYQCFK-UHFFFAOYSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cnc(C)[nH]1)C1CC1 ZINC001377515427 975060296 /nfs/dbraw/zinc/06/02/96/975060296.db2.gz AVPCZYASYYQCFK-UHFFFAOYSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C1=COCCO1 ZINC001377990238 975197134 /nfs/dbraw/zinc/19/71/34/975197134.db2.gz QDCQOHLQWHNFAH-SNVBAGLBSA-N 1 2 274.748 1.064 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C1=COCCO1 ZINC001377990238 975197138 /nfs/dbraw/zinc/19/71/38/975197138.db2.gz QDCQOHLQWHNFAH-SNVBAGLBSA-N 1 2 274.748 1.064 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ncccc1OC ZINC001401807163 975929853 /nfs/dbraw/zinc/92/98/53/975929853.db2.gz ZQXQFWJJFKCCEM-NSHDSACASA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ncccc1OC ZINC001401807163 975929863 /nfs/dbraw/zinc/92/98/63/975929863.db2.gz ZQXQFWJJFKCCEM-NSHDSACASA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnn(C)c1C ZINC001390733108 976466217 /nfs/dbraw/zinc/46/62/17/976466217.db2.gz MZSJJGINJQLWIH-UHFFFAOYSA-N 1 2 270.764 1.143 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnn(C)c1C ZINC001390733108 976466219 /nfs/dbraw/zinc/46/62/19/976466219.db2.gz MZSJJGINJQLWIH-UHFFFAOYSA-N 1 2 270.764 1.143 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cn1ccccc1=O ZINC001403185236 976796317 /nfs/dbraw/zinc/79/63/17/976796317.db2.gz IKMJQMMMRQYJMG-GFCCVEGCSA-N 1 2 297.786 1.037 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cn1ccccc1=O ZINC001403185236 976796325 /nfs/dbraw/zinc/79/63/25/976796325.db2.gz IKMJQMMMRQYJMG-GFCCVEGCSA-N 1 2 297.786 1.037 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@H](C)SC)C1 ZINC001400457970 977032930 /nfs/dbraw/zinc/03/29/30/977032930.db2.gz GYDRHJCNWVXIKM-JTQLQIEISA-N 1 2 276.833 1.929 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001132667047 1163432201 /nfs/dbraw/zinc/43/22/01/1163432201.db2.gz BPOYFVQOKUFDAH-NSHDSACASA-N 1 2 266.345 1.186 20 30 CDEDLO N#Cc1cc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)ccc1F ZINC000586771910 342468383 /nfs/dbraw/zinc/46/83/83/342468383.db2.gz CJXLEDCIUARQRW-UHFFFAOYSA-N 1 2 297.289 1.996 20 30 CDEDLO C[C@H]1C[N@H+](CCOCCC#N)C[C@@H](C(F)(F)F)O1 ZINC000590162474 342523642 /nfs/dbraw/zinc/52/36/42/342523642.db2.gz MZXXWZLPEQYPIF-UWVGGRQHSA-N 1 2 266.263 1.568 20 30 CDEDLO C[C@H]1C[N@@H+](CCOCCC#N)C[C@@H](C(F)(F)F)O1 ZINC000590162474 342523643 /nfs/dbraw/zinc/52/36/43/342523643.db2.gz MZXXWZLPEQYPIF-UWVGGRQHSA-N 1 2 266.263 1.568 20 30 CDEDLO N#CC1(NC(=O)CN2CCn3c[nH+]cc3C2)CCCCC1 ZINC000590598970 342579773 /nfs/dbraw/zinc/57/97/73/342579773.db2.gz AKBJKOINWUBDTI-UHFFFAOYSA-N 1 2 287.367 1.041 20 30 CDEDLO COCC[N@H+](CCC#N)C[C@H](O)Cc1ccccc1 ZINC000590698190 342583747 /nfs/dbraw/zinc/58/37/47/342583747.db2.gz JTURDAVVFJJGSC-OAHLLOKOSA-N 1 2 262.353 1.452 20 30 CDEDLO COCC[N@@H+](CCC#N)C[C@H](O)Cc1ccccc1 ZINC000590698190 342583748 /nfs/dbraw/zinc/58/37/48/342583748.db2.gz JTURDAVVFJJGSC-OAHLLOKOSA-N 1 2 262.353 1.452 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1 ZINC000609029593 342087087 /nfs/dbraw/zinc/08/70/87/342087087.db2.gz YPBFDWHZKLBKQQ-UHFFFAOYSA-N 1 2 279.299 1.857 20 30 CDEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000590954518 342610632 /nfs/dbraw/zinc/61/06/32/342610632.db2.gz BFMJMJBMDRYVHU-CQSZACIVSA-N 1 2 295.818 1.702 20 30 CDEDLO N#Cc1cnc(N2CC[NH+]([C@H]3CCOC3)CC2)c(F)c1 ZINC000591150736 342618914 /nfs/dbraw/zinc/61/89/14/342618914.db2.gz YZXVJTYTMDVBAV-LBPRGKRZSA-N 1 2 276.315 1.003 20 30 CDEDLO N#Cc1cccc2c1CCN2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000591536500 342635227 /nfs/dbraw/zinc/63/52/27/342635227.db2.gz BKPVYULLQIOPFW-CYBMUJFWSA-N 1 2 292.342 1.906 20 30 CDEDLO Cc1cc(N[C@@H]2CCN(C(=O)C3CC3)C[C@H]2C)c(C#N)c[nH+]1 ZINC000591821627 342647579 /nfs/dbraw/zinc/64/75/79/342647579.db2.gz GOTJLXBKVYZDDV-IAQYHMDHSA-N 1 2 298.390 1.743 20 30 CDEDLO CCCCc1noc([C@@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)n1 ZINC000592146106 342673378 /nfs/dbraw/zinc/67/33/78/342673378.db2.gz DDCMXBBJCWSUHQ-BXUZGUMPSA-N 1 2 278.356 1.824 20 30 CDEDLO CCCCc1noc([C@@H](C)[N@H+]2CC[C@](O)(CC#N)C2)n1 ZINC000592146106 342673380 /nfs/dbraw/zinc/67/33/80/342673380.db2.gz DDCMXBBJCWSUHQ-BXUZGUMPSA-N 1 2 278.356 1.824 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000592150957 342668917 /nfs/dbraw/zinc/66/89/17/342668917.db2.gz KXALGLSSTRSMCX-CYBMUJFWSA-N 1 2 279.271 1.584 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000592150957 342668918 /nfs/dbraw/zinc/66/89/18/342668918.db2.gz KXALGLSSTRSMCX-CYBMUJFWSA-N 1 2 279.271 1.584 20 30 CDEDLO [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+][C@@H]1CCO[C@H]1C1CC1 ZINC000329705190 361879352 /nfs/dbraw/zinc/87/93/52/361879352.db2.gz JFSADIFPFRYHFQ-QKCSRTOESA-N 1 2 290.367 1.338 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1coc(C2CC2)n1 ZINC000593155007 342774357 /nfs/dbraw/zinc/77/43/57/342774357.db2.gz XSXREAGEYRVFPY-CYBMUJFWSA-N 1 2 262.313 1.126 20 30 CDEDLO CN(C)c1ccc(CSc2nnc(CC#N)n2C)c[nH+]1 ZINC000600526760 342230079 /nfs/dbraw/zinc/23/00/79/342230079.db2.gz LPDDAMKQFFUTBR-UHFFFAOYSA-N 1 2 288.380 1.634 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)NCC(C)(C)C#N)ccn12 ZINC000594341406 342890992 /nfs/dbraw/zinc/89/09/92/342890992.db2.gz LDZXANCTFYBAIQ-UHFFFAOYSA-N 1 2 256.309 1.922 20 30 CDEDLO Cc1c[nH+]c(CCNc2nccc(C#N)c2[N+](=O)[O-])c(C)c1 ZINC000594597506 342919844 /nfs/dbraw/zinc/91/98/44/342919844.db2.gz WEZKABWVXDBDKM-UHFFFAOYSA-N 1 2 297.318 1.950 20 30 CDEDLO CCN1CC[NH+]([C@@H]2CCN([C@H](C#N)c3ccccc3)C2)CC1 ZINC000595309815 343032731 /nfs/dbraw/zinc/03/27/31/343032731.db2.gz BLOZESQGJLKCRJ-QZTJIDSGSA-N 1 2 298.434 1.963 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000595621412 343111568 /nfs/dbraw/zinc/11/15/68/343111568.db2.gz UNOAQVJGERRQKB-GFCCVEGCSA-N 1 2 260.341 1.175 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000595621412 343111569 /nfs/dbraw/zinc/11/15/69/343111569.db2.gz UNOAQVJGERRQKB-GFCCVEGCSA-N 1 2 260.341 1.175 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000121209564 362106927 /nfs/dbraw/zinc/10/69/27/362106927.db2.gz VBEFXRPDPGAMFW-CABCVRRESA-N 1 2 299.374 1.810 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000121209564 362106933 /nfs/dbraw/zinc/10/69/33/362106933.db2.gz VBEFXRPDPGAMFW-CABCVRRESA-N 1 2 299.374 1.810 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)CCC(F)(F)F ZINC000078720180 342339907 /nfs/dbraw/zinc/33/99/07/342339907.db2.gz IMIPOJFPINEEEI-UHFFFAOYSA-N 1 2 279.306 1.487 20 30 CDEDLO C[C@@H]1[C@H](C)[N@H+](CC2(C#N)CC2)CCN1CC1(C#N)CC1 ZINC000595887435 343180657 /nfs/dbraw/zinc/18/06/57/343180657.db2.gz SMNSYDYBWYZNCD-OKILXGFUSA-N 1 2 272.396 1.989 20 30 CDEDLO C[C@@H]1[C@H](C)[N@@H+](CC2(C#N)CC2)CCN1CC1(C#N)CC1 ZINC000595887435 343180658 /nfs/dbraw/zinc/18/06/58/343180658.db2.gz SMNSYDYBWYZNCD-OKILXGFUSA-N 1 2 272.396 1.989 20 30 CDEDLO C[C@@H]1[C@H](C)N(CC2(C#N)CC2)CC[N@H+]1CC1(C#N)CC1 ZINC000595887435 343180660 /nfs/dbraw/zinc/18/06/60/343180660.db2.gz SMNSYDYBWYZNCD-OKILXGFUSA-N 1 2 272.396 1.989 20 30 CDEDLO C[C@@H]1[C@H](C)N(CC2(C#N)CC2)CC[N@@H+]1CC1(C#N)CC1 ZINC000595887435 343180661 /nfs/dbraw/zinc/18/06/61/343180661.db2.gz SMNSYDYBWYZNCD-OKILXGFUSA-N 1 2 272.396 1.989 20 30 CDEDLO O=C(C#Cc1ccccc1)NCCc1cn2c([nH+]1)CCCC2 ZINC000081531347 342369982 /nfs/dbraw/zinc/36/99/82/342369982.db2.gz ZUEDSNAHCNAMHJ-UHFFFAOYSA-N 1 2 293.370 1.930 20 30 CDEDLO N#CC[C@]1(O)CCN(c2[nH+]ccc3c(N)cccc32)C1 ZINC000596287642 343288800 /nfs/dbraw/zinc/28/88/00/343288800.db2.gz XZWWKPGRJXKRRQ-HNNXBMFYSA-N 1 2 268.320 1.672 20 30 CDEDLO CCc1nc(C#N)cc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)n1 ZINC000596258173 343276750 /nfs/dbraw/zinc/27/67/50/343276750.db2.gz WIGHYGSYDDEWME-KOLCDFICSA-N 1 2 268.324 1.647 20 30 CDEDLO Cc1ccc(C#N)c(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)n1 ZINC000596431614 343319541 /nfs/dbraw/zinc/31/95/41/343319541.db2.gz PQHFSYPISIPWDQ-STQMWFEESA-N 1 2 274.368 1.783 20 30 CDEDLO Cc1ccc(C#N)c(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)n1 ZINC000596431614 343319544 /nfs/dbraw/zinc/31/95/44/343319544.db2.gz PQHFSYPISIPWDQ-STQMWFEESA-N 1 2 274.368 1.783 20 30 CDEDLO C#CC[NH+]1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000088700085 342386921 /nfs/dbraw/zinc/38/69/21/342386921.db2.gz NQXOSNVNRSIJSC-UHFFFAOYSA-N 1 2 259.309 1.658 20 30 CDEDLO C[C@@H]1[C@H](C)SCCN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330186525 362173291 /nfs/dbraw/zinc/17/32/91/362173291.db2.gz JVWTVXWXMXHTRQ-GRYCIOLGSA-N 1 2 294.424 1.938 20 30 CDEDLO N#Cc1cnc(N2CCC(n3cc[nH+]c3)CC2)cn1 ZINC000133265516 136390568 /nfs/dbraw/zinc/39/05/68/136390568.db2.gz HXQFENXCZNLOPY-UHFFFAOYSA-N 1 2 254.297 1.386 20 30 CDEDLO N#CC[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000597900859 343665780 /nfs/dbraw/zinc/66/57/80/343665780.db2.gz QZBFTZHRAGPBCP-CHWSQXEVSA-N 1 2 272.352 1.598 20 30 CDEDLO C=C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)C(=O)OC ZINC000619704252 349860814 /nfs/dbraw/zinc/86/08/14/349860814.db2.gz ZXTCYJVUHZEKCH-MDZLAQPJSA-N 1 2 271.382 1.358 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000619717859 349868743 /nfs/dbraw/zinc/86/87/43/349868743.db2.gz QSDVXQHUUNWXKS-LSDHHAIUSA-N 1 2 293.363 1.224 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+](C)C[C@H](O)COCc1ccccc1 ZINC000619717859 349868747 /nfs/dbraw/zinc/86/87/47/349868747.db2.gz QSDVXQHUUNWXKS-LSDHHAIUSA-N 1 2 293.363 1.224 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CC(=O)NC1CC1 ZINC000127004836 187275713 /nfs/dbraw/zinc/27/57/13/187275713.db2.gz DPNYIEWAXGSUHE-LBPRGKRZSA-N 1 2 281.400 1.010 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CC(=O)NC1CC1 ZINC000127004836 187275714 /nfs/dbraw/zinc/27/57/14/187275714.db2.gz DPNYIEWAXGSUHE-LBPRGKRZSA-N 1 2 281.400 1.010 20 30 CDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598591918 343838139 /nfs/dbraw/zinc/83/81/39/343838139.db2.gz FQMVLKLKOLMTLN-FLMCSSBNSA-N 1 2 272.414 1.128 20 30 CDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598591918 343838141 /nfs/dbraw/zinc/83/81/41/343838141.db2.gz FQMVLKLKOLMTLN-FLMCSSBNSA-N 1 2 272.414 1.128 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000085826058 344161912 /nfs/dbraw/zinc/16/19/12/344161912.db2.gz NGKUISGTXAZPNS-SMDDNHRTSA-N 1 2 277.372 1.284 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000085826058 344161913 /nfs/dbraw/zinc/16/19/13/344161913.db2.gz NGKUISGTXAZPNS-SMDDNHRTSA-N 1 2 277.372 1.284 20 30 CDEDLO C[C@@H](C#N)Cn1[nH]c2c(c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000601935242 344286077 /nfs/dbraw/zinc/28/60/77/344286077.db2.gz RKUQEQCDVLFLCR-DZGCQCFKSA-N 1 2 296.374 1.866 20 30 CDEDLO C[C@@H](C#N)Cn1[nH]c2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000601935242 344286080 /nfs/dbraw/zinc/28/60/80/344286080.db2.gz RKUQEQCDVLFLCR-DZGCQCFKSA-N 1 2 296.374 1.866 20 30 CDEDLO COC(=O)[C@@H]1CC[N@H+](C[C@@H](C)CCC#N)[C@@H](C(=O)OC)C1 ZINC000602601628 344505906 /nfs/dbraw/zinc/50/59/06/344505906.db2.gz AEDQEKREUYPZBZ-YNEHKIRRSA-N 1 2 296.367 1.353 20 30 CDEDLO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](C)CCC#N)[C@@H](C(=O)OC)C1 ZINC000602601628 344505907 /nfs/dbraw/zinc/50/59/07/344505907.db2.gz AEDQEKREUYPZBZ-YNEHKIRRSA-N 1 2 296.367 1.353 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000602861720 344617186 /nfs/dbraw/zinc/61/71/86/344617186.db2.gz HXFDQBYOYHGAIR-MNOVXSKESA-N 1 2 263.316 1.722 20 30 CDEDLO Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000602861767 344617254 /nfs/dbraw/zinc/61/72/54/344617254.db2.gz ISKSYNSAJSPIET-OLZOCXBDSA-N 1 2 259.353 1.892 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000602862958 344617703 /nfs/dbraw/zinc/61/77/03/344617703.db2.gz LJHFQZYRXXNFRL-NEPJUHHUSA-N 1 2 262.357 1.609 20 30 CDEDLO C[C@@H](CC#N)[NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000602868418 344639815 /nfs/dbraw/zinc/63/98/15/344639815.db2.gz BGZDMVCGOQPACX-QMMMGPOBSA-N 1 2 287.772 1.379 20 30 CDEDLO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612164419 347067148 /nfs/dbraw/zinc/06/71/48/347067148.db2.gz BYOQITPECRSEDS-IAQYHMDHSA-N 1 2 294.399 1.625 20 30 CDEDLO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612164419 347067153 /nfs/dbraw/zinc/06/71/53/347067153.db2.gz BYOQITPECRSEDS-IAQYHMDHSA-N 1 2 294.399 1.625 20 30 CDEDLO C=CC[N@@H+](CCS(=O)(=O)NC)Cc1ccccc1 ZINC000621244367 344808793 /nfs/dbraw/zinc/80/87/93/344808793.db2.gz LLZOPXUDTUBUIV-UHFFFAOYSA-N 1 2 268.382 1.224 20 30 CDEDLO C=CC[N@H+](CCS(=O)(=O)NC)Cc1ccccc1 ZINC000621244367 344808794 /nfs/dbraw/zinc/80/87/94/344808794.db2.gz LLZOPXUDTUBUIV-UHFFFAOYSA-N 1 2 268.382 1.224 20 30 CDEDLO Cc1ncc(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)s1 ZINC000052101251 345233268 /nfs/dbraw/zinc/23/32/68/345233268.db2.gz DPLPYARPCFNNSK-AWEZNQCLSA-N 1 2 292.408 1.692 20 30 CDEDLO Cc1ncc(C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)s1 ZINC000052101251 345233271 /nfs/dbraw/zinc/23/32/71/345233271.db2.gz DPLPYARPCFNNSK-AWEZNQCLSA-N 1 2 292.408 1.692 20 30 CDEDLO N#CCSCCC[N@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000072486815 345323680 /nfs/dbraw/zinc/32/36/80/345323680.db2.gz KWVFWUDGCPBZGE-GFCCVEGCSA-N 1 2 295.433 1.868 20 30 CDEDLO N#CCSCCC[N@@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000072486815 345323682 /nfs/dbraw/zinc/32/36/82/345323682.db2.gz KWVFWUDGCPBZGE-GFCCVEGCSA-N 1 2 295.433 1.868 20 30 CDEDLO COC(=O)C[C@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000249286217 362629283 /nfs/dbraw/zinc/62/92/83/362629283.db2.gz PKVZACPIEBSXHH-WFASDCNBSA-N 1 2 288.347 1.883 20 30 CDEDLO COC(=O)C[C@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000249286217 362629287 /nfs/dbraw/zinc/62/92/87/362629287.db2.gz PKVZACPIEBSXHH-WFASDCNBSA-N 1 2 288.347 1.883 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCOCc1ccccc1 ZINC000383833656 345735477 /nfs/dbraw/zinc/73/54/77/345735477.db2.gz JZRORQMBQHVSCD-AWEZNQCLSA-N 1 2 263.337 1.863 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCOCc1ccccc1 ZINC000383833656 345735480 /nfs/dbraw/zinc/73/54/80/345735480.db2.gz JZRORQMBQHVSCD-AWEZNQCLSA-N 1 2 263.337 1.863 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617722108 345926491 /nfs/dbraw/zinc/92/64/91/345926491.db2.gz YCJHHMHOJMAOLX-CHWSQXEVSA-N 1 2 268.401 1.814 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617722108 345926495 /nfs/dbraw/zinc/92/64/95/345926495.db2.gz YCJHHMHOJMAOLX-CHWSQXEVSA-N 1 2 268.401 1.814 20 30 CDEDLO CC[C@@H](C(=O)NC1(C#N)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000619877680 349941330 /nfs/dbraw/zinc/94/13/30/349941330.db2.gz SNDYYKVTSPLUBG-RYUDHWBXSA-N 1 2 265.357 1.048 20 30 CDEDLO CC[C@@H](C(=O)NC1(C#N)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000619877680 349941333 /nfs/dbraw/zinc/94/13/33/349941333.db2.gz SNDYYKVTSPLUBG-RYUDHWBXSA-N 1 2 265.357 1.048 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1nc2ccccc2n1C ZINC000177195705 346233000 /nfs/dbraw/zinc/23/30/00/346233000.db2.gz GBIFJIKSIPAMED-LBPRGKRZSA-N 1 2 286.379 1.696 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1nc2ccccc2n1C ZINC000177195705 346233004 /nfs/dbraw/zinc/23/30/04/346233004.db2.gz GBIFJIKSIPAMED-LBPRGKRZSA-N 1 2 286.379 1.696 20 30 CDEDLO COCC[N@@H+](CCC#N)CCCc1nc(C)no1 ZINC000610787436 346415973 /nfs/dbraw/zinc/41/59/73/346415973.db2.gz HELPFKMOUWROOC-UHFFFAOYSA-N 1 2 252.318 1.173 20 30 CDEDLO COCC[N@H+](CCC#N)CCCc1nc(C)no1 ZINC000610787436 346415977 /nfs/dbraw/zinc/41/59/77/346415977.db2.gz HELPFKMOUWROOC-UHFFFAOYSA-N 1 2 252.318 1.173 20 30 CDEDLO COCC#CC[N@@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000611194859 346690259 /nfs/dbraw/zinc/69/02/59/346690259.db2.gz YUKQFTGZONNEPE-LBPRGKRZSA-N 1 2 253.342 1.442 20 30 CDEDLO COCC#CC[N@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000611194859 346690261 /nfs/dbraw/zinc/69/02/61/346690261.db2.gz YUKQFTGZONNEPE-LBPRGKRZSA-N 1 2 253.342 1.442 20 30 CDEDLO C=CC[NH+](CC=C)Cc1nc(-c2ccc(OC)nn2)no1 ZINC000450254600 362806283 /nfs/dbraw/zinc/80/62/83/362806283.db2.gz VCMXFVCNSOTTRP-UHFFFAOYSA-N 1 2 287.323 1.709 20 30 CDEDLO N#CCc1cccc(NC(=O)NCC[NH+]2CCOCC2)c1 ZINC000455937425 347527958 /nfs/dbraw/zinc/52/79/58/347527958.db2.gz DKHLKVUOFMMKCD-UHFFFAOYSA-N 1 2 288.351 1.206 20 30 CDEDLO Cc1cc2[nH+]cn(C[C@@H](O)CN(C)CC#N)c2cc1C ZINC000068971748 347568847 /nfs/dbraw/zinc/56/88/47/347568847.db2.gz VBYJHWVATWXTON-ZDUSSCGKSA-N 1 2 272.352 1.469 20 30 CDEDLO COC1CC[NH+](CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000054619871 347827054 /nfs/dbraw/zinc/82/70/54/347827054.db2.gz DMHKQBHDLVUBRG-UHFFFAOYSA-N 1 2 291.351 1.817 20 30 CDEDLO C=C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C(=O)OC ZINC000619703216 347957601 /nfs/dbraw/zinc/95/76/01/347957601.db2.gz IBRPIEBWVWIBEA-YVECIDJPSA-N 1 2 265.353 1.651 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000614403074 348101476 /nfs/dbraw/zinc/10/14/76/348101476.db2.gz AEVUZVNWTRKNAF-CYBMUJFWSA-N 1 2 275.377 1.269 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@H+]1CCSC[C@@H]1C(N)=O ZINC000614403074 348101477 /nfs/dbraw/zinc/10/14/77/348101477.db2.gz AEVUZVNWTRKNAF-CYBMUJFWSA-N 1 2 275.377 1.269 20 30 CDEDLO N#Cc1ccc(NCC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000614662910 348188464 /nfs/dbraw/zinc/18/84/64/348188464.db2.gz XWSCEIGPAPDGFG-CQSZACIVSA-N 1 2 295.346 1.298 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000061512687 348906066 /nfs/dbraw/zinc/90/60/66/348906066.db2.gz LCPKSOQUQHCXSD-BQYQJAHWSA-N 1 2 280.331 1.964 20 30 CDEDLO N#Cc1cccc(CN2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000602432136 350109566 /nfs/dbraw/zinc/10/95/66/350109566.db2.gz WBOCZFUDERPBSN-UHFFFAOYSA-N 1 2 293.374 1.666 20 30 CDEDLO CCC[N@H+](Cc1cccc(C#N)n1)[C@H]1CCS(=O)(=O)C1 ZINC000602431799 350109618 /nfs/dbraw/zinc/10/96/18/350109618.db2.gz GIOZBLHKQREZTG-AWEZNQCLSA-N 1 2 293.392 1.352 20 30 CDEDLO CCC[N@@H+](Cc1cccc(C#N)n1)[C@H]1CCS(=O)(=O)C1 ZINC000602431799 350109621 /nfs/dbraw/zinc/10/96/21/350109621.db2.gz GIOZBLHKQREZTG-AWEZNQCLSA-N 1 2 293.392 1.352 20 30 CDEDLO CCc1nnc([C@H](C)[NH2+]Cc2cccc(C#N)n2)[nH]1 ZINC000602578644 350128365 /nfs/dbraw/zinc/12/83/65/350128365.db2.gz OZCKZDYQXUXDST-VIFPVBQESA-N 1 2 256.313 1.485 20 30 CDEDLO N#Cc1cccc(CNc2ccc(N3CCCC3)c[nH+]2)n1 ZINC000602521680 350119614 /nfs/dbraw/zinc/11/96/14/350119614.db2.gz PWRJKZFPTCRIOC-UHFFFAOYSA-N 1 2 279.347 1.982 20 30 CDEDLO C[N@H+](Cc1cc(C#N)ccc1F)[C@H]1CCCCNC1=O ZINC000364116088 362951506 /nfs/dbraw/zinc/95/15/06/362951506.db2.gz WBUVOKSKBQHCNR-AWEZNQCLSA-N 1 2 275.327 1.798 20 30 CDEDLO C[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1CCCCNC1=O ZINC000364116088 362951510 /nfs/dbraw/zinc/95/15/10/362951510.db2.gz WBUVOKSKBQHCNR-AWEZNQCLSA-N 1 2 275.327 1.798 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091891575 180281448 /nfs/dbraw/zinc/28/14/48/180281448.db2.gz GNJGCGADLIZKAU-LLVKDONJSA-N 1 2 262.328 1.875 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCc2cc(F)ccc2C1 ZINC000091891575 180281449 /nfs/dbraw/zinc/28/14/49/180281449.db2.gz GNJGCGADLIZKAU-LLVKDONJSA-N 1 2 262.328 1.875 20 30 CDEDLO C=CCCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000620858501 350346515 /nfs/dbraw/zinc/34/65/15/350346515.db2.gz HYEUHPRKVOVHKG-ZDUSSCGKSA-N 1 2 267.417 1.483 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)nn1 ZINC000653769866 412558177 /nfs/dbraw/zinc/55/81/77/412558177.db2.gz OWPLIYSUSZAUBJ-CQSZACIVSA-N 1 2 287.371 1.283 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)nn1 ZINC000653769866 412558181 /nfs/dbraw/zinc/55/81/81/412558181.db2.gz OWPLIYSUSZAUBJ-CQSZACIVSA-N 1 2 287.371 1.283 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000121899490 187003520 /nfs/dbraw/zinc/00/35/20/187003520.db2.gz WMZIJSNOMMGVOV-UHFFFAOYSA-N 1 2 287.319 1.376 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000569840834 363133600 /nfs/dbraw/zinc/13/36/00/363133600.db2.gz PHZGULNIVSSJPE-BXUZGUMPSA-N 1 2 263.341 1.440 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000569840834 363133602 /nfs/dbraw/zinc/13/36/02/363133602.db2.gz PHZGULNIVSSJPE-BXUZGUMPSA-N 1 2 263.341 1.440 20 30 CDEDLO N#Cc1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)[nH]1 ZINC000152424770 188017435 /nfs/dbraw/zinc/01/74/35/188017435.db2.gz PCGHTMIZBRHNOP-LBPRGKRZSA-N 1 2 281.319 1.290 20 30 CDEDLO CC#CCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000154543783 188148650 /nfs/dbraw/zinc/14/86/50/188148650.db2.gz PFNHZKQTWFUQDK-HNNXBMFYSA-N 1 2 288.416 1.916 20 30 CDEDLO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000156715652 188278066 /nfs/dbraw/zinc/27/80/66/188278066.db2.gz CXCNHXOQXJVROB-WFASDCNBSA-N 1 2 290.363 1.864 20 30 CDEDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000156715652 188278068 /nfs/dbraw/zinc/27/80/68/188278068.db2.gz CXCNHXOQXJVROB-WFASDCNBSA-N 1 2 290.363 1.864 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[S@@](=O)CC[C@H]2C)cc1C#N ZINC000365474111 363387340 /nfs/dbraw/zinc/38/73/40/363387340.db2.gz MYUNFZSLZHBLEQ-ODXCJYRJSA-N 1 2 292.404 1.910 20 30 CDEDLO COc1ccc(C[N@H+]2CC[S@@](=O)CC[C@H]2C)cc1C#N ZINC000365474111 363387346 /nfs/dbraw/zinc/38/73/46/363387346.db2.gz MYUNFZSLZHBLEQ-ODXCJYRJSA-N 1 2 292.404 1.910 20 30 CDEDLO N#CCC[C@@H](C#N)CN1CC[NH+](Cc2cccnc2)CC1 ZINC000091077586 358500182 /nfs/dbraw/zinc/50/01/82/358500182.db2.gz JIGWBBWHYMJGPM-HNNXBMFYSA-N 1 2 283.379 1.643 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN([C@H]3CCOC3)CC2)cc1 ZINC000370748567 283140972 /nfs/dbraw/zinc/14/09/72/283140972.db2.gz HHZILJRNMWKADP-INIZCTEOSA-N 1 2 271.364 1.465 20 30 CDEDLO C=C(C)CS(=O)(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000188231490 356361363 /nfs/dbraw/zinc/36/13/63/356361363.db2.gz OWVSCCNHZCJATE-NSHDSACASA-N 1 2 272.370 1.378 20 30 CDEDLO N#Cc1ccc(C[NH2+]Cc2nnc3n2CCCCC3)o1 ZINC000342936269 356408901 /nfs/dbraw/zinc/40/89/01/356408901.db2.gz KSANSEHCFCOLEB-UHFFFAOYSA-N 1 2 271.324 1.759 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNc1nc2c(cc1C#N)CCC2 ZINC000329037625 202162360 /nfs/dbraw/zinc/16/23/60/202162360.db2.gz CORNKOAONRTJKG-LBPRGKRZSA-N 1 2 286.379 1.575 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNc1nc2c(cc1C#N)CCC2 ZINC000329037625 202162364 /nfs/dbraw/zinc/16/23/64/202162364.db2.gz CORNKOAONRTJKG-LBPRGKRZSA-N 1 2 286.379 1.575 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)Cc1cc(OC)cc(OC)c1 ZINC000299110107 356973904 /nfs/dbraw/zinc/97/39/04/356973904.db2.gz AKFVPJREINYUPY-UHFFFAOYSA-N 1 2 278.352 1.438 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)Cc1cc(OC)cc(OC)c1 ZINC000299110107 356973909 /nfs/dbraw/zinc/97/39/09/356973909.db2.gz AKFVPJREINYUPY-UHFFFAOYSA-N 1 2 278.352 1.438 20 30 CDEDLO Cc1c[nH+]c(CNc2cnn(-c3ncccc3C#N)c2)n1C ZINC000341289427 357222792 /nfs/dbraw/zinc/22/27/92/357222792.db2.gz SNTXELJYEMTKFP-UHFFFAOYSA-N 1 2 293.334 1.793 20 30 CDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070979355 357178242 /nfs/dbraw/zinc/17/82/42/357178242.db2.gz VHMHRIDUPVXBGY-NSHDSACASA-N 1 2 284.319 1.707 20 30 CDEDLO Cc1cnc(CCNc2cc(C)[nH+]cc2C#N)cn1 ZINC000566136614 357426476 /nfs/dbraw/zinc/42/64/76/357426476.db2.gz RUJAZXRERQCMKE-UHFFFAOYSA-N 1 2 253.309 1.437 20 30 CDEDLO CC1(C)C[S@](=O)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000334357634 357575027 /nfs/dbraw/zinc/57/50/27/357575027.db2.gz QMDNDHTWBQQYCM-GOSISDBHSA-N 1 2 262.378 1.901 20 30 CDEDLO CC1(C)C[S@](=O)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000334357634 357575028 /nfs/dbraw/zinc/57/50/28/357575028.db2.gz QMDNDHTWBQQYCM-GOSISDBHSA-N 1 2 262.378 1.901 20 30 CDEDLO CNC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000334315133 357566797 /nfs/dbraw/zinc/56/67/97/357566797.db2.gz QJYWOGJQDIOBIG-ZDUSSCGKSA-N 1 2 276.315 1.201 20 30 CDEDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000334315133 357566798 /nfs/dbraw/zinc/56/67/98/357566798.db2.gz QJYWOGJQDIOBIG-ZDUSSCGKSA-N 1 2 276.315 1.201 20 30 CDEDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(C#N)cn1)CCO2 ZINC000566416563 357665374 /nfs/dbraw/zinc/66/53/74/357665374.db2.gz NBIYSUOWBMWZTA-IUODEOHRSA-N 1 2 273.336 1.333 20 30 CDEDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(C#N)cn1)CCO2 ZINC000566416563 357665377 /nfs/dbraw/zinc/66/53/77/357665377.db2.gz NBIYSUOWBMWZTA-IUODEOHRSA-N 1 2 273.336 1.333 20 30 CDEDLO COCCN1CC[N@@H+]([C@H](C)c2cccc(C#N)c2)CC1=O ZINC000187719709 357799023 /nfs/dbraw/zinc/79/90/23/357799023.db2.gz ZHJVEQLFSOUWLA-CYBMUJFWSA-N 1 2 287.363 1.410 20 30 CDEDLO COCCN1CC[N@H+]([C@H](C)c2cccc(C#N)c2)CC1=O ZINC000187719709 357799026 /nfs/dbraw/zinc/79/90/26/357799026.db2.gz ZHJVEQLFSOUWLA-CYBMUJFWSA-N 1 2 287.363 1.410 20 30 CDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc(C#N)cs1 ZINC000331354201 357848965 /nfs/dbraw/zinc/84/89/65/357848965.db2.gz PLDHCVFPOJPDMA-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO N#Cc1ccc(F)c(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000335550287 357923370 /nfs/dbraw/zinc/92/33/70/357923370.db2.gz WRGJZIKJDZGFLX-LBPRGKRZSA-N 1 2 298.321 1.773 20 30 CDEDLO C#CCO[C@H](C)C(=O)NCCCCNc1cccc[nH+]1 ZINC000294539970 199078480 /nfs/dbraw/zinc/07/84/80/199078480.db2.gz JLBLVQCHMJHNRJ-CYBMUJFWSA-N 1 2 275.352 1.428 20 30 CDEDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1C#N ZINC000189799835 358040544 /nfs/dbraw/zinc/04/05/44/358040544.db2.gz NJDPRAZJSIWSGY-HNNXBMFYSA-N 1 2 271.364 1.905 20 30 CDEDLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1C#N ZINC000189799835 358040550 /nfs/dbraw/zinc/04/05/50/358040550.db2.gz NJDPRAZJSIWSGY-HNNXBMFYSA-N 1 2 271.364 1.905 20 30 CDEDLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000189836457 358041666 /nfs/dbraw/zinc/04/16/66/358041666.db2.gz XHSNNWWKTRAWEJ-OAHLLOKOSA-N 1 2 271.364 1.905 20 30 CDEDLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000189836457 358041668 /nfs/dbraw/zinc/04/16/68/358041668.db2.gz XHSNNWWKTRAWEJ-OAHLLOKOSA-N 1 2 271.364 1.905 20 30 CDEDLO N#Cc1cnc(C[NH+]2CCC(C3CCOCC3)CC2)nc1 ZINC000566617717 358189573 /nfs/dbraw/zinc/18/95/73/358189573.db2.gz KOSHLCAGAJVEOA-UHFFFAOYSA-N 1 2 286.379 1.987 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNC(=O)NCCCCC#N)CCO1 ZINC000494882944 366513455 /nfs/dbraw/zinc/51/34/55/366513455.db2.gz MGXWYGMUPCYENH-CYBMUJFWSA-N 1 2 282.388 1.090 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)NCCCCC#N)CCO1 ZINC000494882944 366513459 /nfs/dbraw/zinc/51/34/59/366513459.db2.gz MGXWYGMUPCYENH-CYBMUJFWSA-N 1 2 282.388 1.090 20 30 CDEDLO Cc1c[nH+]c(C)nc1NCCOc1ccc(C#N)cc1 ZINC000569355483 359229037 /nfs/dbraw/zinc/22/90/37/359229037.db2.gz ONIYIPUXEODMOO-UHFFFAOYSA-N 1 2 268.320 1.878 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)[C@H]1COCC[N@H+]1CC ZINC000637182669 359344719 /nfs/dbraw/zinc/34/47/19/359344719.db2.gz UDZRJWWHXQBJRA-CHWSQXEVSA-N 1 2 252.358 1.274 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)[C@H]1COCC[N@@H+]1CC ZINC000637182669 359344723 /nfs/dbraw/zinc/34/47/23/359344723.db2.gz UDZRJWWHXQBJRA-CHWSQXEVSA-N 1 2 252.358 1.274 20 30 CDEDLO C=CCCOCCNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000270422103 359399255 /nfs/dbraw/zinc/39/92/55/359399255.db2.gz NHXNOGHTMDLFGH-UHFFFAOYSA-N 1 2 292.383 1.540 20 30 CDEDLO C#CCC[N@H+]1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000270631245 359407856 /nfs/dbraw/zinc/40/78/56/359407856.db2.gz QKUSKYKPOROZRQ-OLZOCXBDSA-N 1 2 265.378 1.896 20 30 CDEDLO C#CCC[N@@H+]1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000270631245 359407859 /nfs/dbraw/zinc/40/78/59/359407859.db2.gz QKUSKYKPOROZRQ-OLZOCXBDSA-N 1 2 265.378 1.896 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCc1ccc(C)c(F)c1)C1CC1 ZINC000274227598 359494433 /nfs/dbraw/zinc/49/44/33/359494433.db2.gz WCHDPIGUHCIBIY-UHFFFAOYSA-N 1 2 274.339 1.848 20 30 CDEDLO C#CC[N@H+](CC(=O)NCc1ccc(C)c(F)c1)C1CC1 ZINC000274227598 359494439 /nfs/dbraw/zinc/49/44/39/359494439.db2.gz WCHDPIGUHCIBIY-UHFFFAOYSA-N 1 2 274.339 1.848 20 30 CDEDLO C=CCCCNc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000279448634 359586902 /nfs/dbraw/zinc/58/69/02/359586902.db2.gz LXBNITOEMAZCHR-UHFFFAOYSA-N 1 2 275.356 1.133 20 30 CDEDLO C=CCCCNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000279448634 359586909 /nfs/dbraw/zinc/58/69/09/359586909.db2.gz LXBNITOEMAZCHR-UHFFFAOYSA-N 1 2 275.356 1.133 20 30 CDEDLO CSC1(C[N@@H+]2CCN(C3CC3)[C@@H](C#N)C2)CCC1 ZINC000365613349 359617627 /nfs/dbraw/zinc/61/76/27/359617627.db2.gz BIWGCFWEUQCXRB-ZDUSSCGKSA-N 1 2 265.426 1.944 20 30 CDEDLO CSC1(C[N@H+]2CCN(C3CC3)[C@@H](C#N)C2)CCC1 ZINC000365613349 359617631 /nfs/dbraw/zinc/61/76/31/359617631.db2.gz BIWGCFWEUQCXRB-ZDUSSCGKSA-N 1 2 265.426 1.944 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cn2)[C@H](C(N)=O)C1 ZINC000571816317 359617941 /nfs/dbraw/zinc/61/79/41/359617941.db2.gz WRMAUOKLMAOMRX-MFKMUULPSA-N 1 2 258.325 1.039 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cn2)[C@H](C(N)=O)C1 ZINC000571816317 359617944 /nfs/dbraw/zinc/61/79/44/359617944.db2.gz WRMAUOKLMAOMRX-MFKMUULPSA-N 1 2 258.325 1.039 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)OCC(C)C)CC1 ZINC000495727947 366536258 /nfs/dbraw/zinc/53/62/58/366536258.db2.gz KQMUFGWIYJWEBI-UHFFFAOYSA-N 1 2 270.373 1.599 20 30 CDEDLO COC(=O)C[C@H]1C[N@H+](Cc2ccc(C#N)cc2C)CCO1 ZINC000166228947 359783438 /nfs/dbraw/zinc/78/34/38/359783438.db2.gz RCFNGGSIDBRFOZ-HNNXBMFYSA-N 1 2 288.347 1.631 20 30 CDEDLO COC(=O)C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C)CCO1 ZINC000166228947 359783442 /nfs/dbraw/zinc/78/34/42/359783442.db2.gz RCFNGGSIDBRFOZ-HNNXBMFYSA-N 1 2 288.347 1.631 20 30 CDEDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc(C#N)nc3)CC2)S1 ZINC000267324408 359823662 /nfs/dbraw/zinc/82/36/62/359823662.db2.gz ATFWOLQKNBLRHM-LLVKDONJSA-N 1 2 287.392 1.567 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1nc(C)no1 ZINC000348092818 359828640 /nfs/dbraw/zinc/82/86/40/359828640.db2.gz BIAHFOSPHJEBTJ-GHMZBOCLSA-N 1 2 278.356 1.618 20 30 CDEDLO N#C[C@H]1COCCN1Cc1[nH+]ccn1CC(F)(F)F ZINC000336802815 359847037 /nfs/dbraw/zinc/84/70/37/359847037.db2.gz WAYNAQYLOVKYKZ-VIFPVBQESA-N 1 2 274.246 1.170 20 30 CDEDLO CCN(CCC#N)S(=O)(=O)NCCc1cc[nH+]cc1C ZINC000336954969 359950859 /nfs/dbraw/zinc/95/08/59/359950859.db2.gz YBBPZYYAMSRWKN-UHFFFAOYSA-N 1 2 296.396 1.003 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccnc(OC)c2)C1=O ZINC000337225755 360036770 /nfs/dbraw/zinc/03/67/70/360036770.db2.gz OSEGUFFFXOKGIT-ZDUSSCGKSA-N 1 2 275.352 1.309 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccnc(OC)c2)C1=O ZINC000337225755 360036777 /nfs/dbraw/zinc/03/67/77/360036777.db2.gz OSEGUFFFXOKGIT-ZDUSSCGKSA-N 1 2 275.352 1.309 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000337396567 360098692 /nfs/dbraw/zinc/09/86/92/360098692.db2.gz FZESIUMGNWVSNQ-UHFFFAOYSA-N 1 2 296.374 1.533 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000337396567 360098694 /nfs/dbraw/zinc/09/86/94/360098694.db2.gz FZESIUMGNWVSNQ-UHFFFAOYSA-N 1 2 296.374 1.533 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1CCCCCC1 ZINC000572648419 363714435 /nfs/dbraw/zinc/71/44/35/363714435.db2.gz CIARJDIRZZGWOW-CQSZACIVSA-N 1 2 251.374 1.917 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000177092744 189027931 /nfs/dbraw/zinc/02/79/31/189027931.db2.gz MOPMEKUWTCAHRT-UHFFFAOYSA-N 1 2 280.412 1.982 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000177092744 189027932 /nfs/dbraw/zinc/02/79/32/189027932.db2.gz MOPMEKUWTCAHRT-UHFFFAOYSA-N 1 2 280.412 1.982 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccc(F)cc1F ZINC000515655633 360529440 /nfs/dbraw/zinc/52/94/40/360529440.db2.gz LJCYMQKOPJLRIL-CQSZACIVSA-N 1 2 281.306 1.467 20 30 CDEDLO Cc1cccc2nc(C[N@@H+](C)C[C@@H](C)C#N)cc(=O)n12 ZINC000338263388 360793933 /nfs/dbraw/zinc/79/39/33/360793933.db2.gz KZPARLOUCXYWLO-NSHDSACASA-N 1 2 270.336 1.594 20 30 CDEDLO Cc1cccc2nc(C[N@H+](C)C[C@@H](C)C#N)cc(=O)n12 ZINC000338263388 360793941 /nfs/dbraw/zinc/79/39/41/360793941.db2.gz KZPARLOUCXYWLO-NSHDSACASA-N 1 2 270.336 1.594 20 30 CDEDLO COc1cc(C#N)ccc1OCCOCc1[nH]cc[nH+]1 ZINC000180054021 189234871 /nfs/dbraw/zinc/23/48/71/189234871.db2.gz WWHVLIHTNSPIHN-UHFFFAOYSA-N 1 2 273.292 1.886 20 30 CDEDLO CN(C[C@@](C)(O)C[N@H+](C)CCC#N)C(=O)OC(C)(C)C ZINC000496175816 366688472 /nfs/dbraw/zinc/68/84/72/366688472.db2.gz ZMWPCRWVMAQJFC-AWEZNQCLSA-N 1 2 285.388 1.450 20 30 CDEDLO CN(C[C@@](C)(O)C[N@@H+](C)CCC#N)C(=O)OC(C)(C)C ZINC000496175816 366688478 /nfs/dbraw/zinc/68/84/78/366688478.db2.gz ZMWPCRWVMAQJFC-AWEZNQCLSA-N 1 2 285.388 1.450 20 30 CDEDLO O=C(NCC1(O)CCCC1)C1([NH+]2CCOCC2)CCC1 ZINC000329310614 361474971 /nfs/dbraw/zinc/47/49/71/361474971.db2.gz CHQMZCLRCWXFKB-UHFFFAOYSA-N 1 2 282.384 1.503 20 30 CDEDLO CCN1CCOC[C@@H]1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000329365195 361490072 /nfs/dbraw/zinc/49/00/72/361490072.db2.gz ICHFILBMQMNJAW-CYBMUJFWSA-N 1 2 288.351 1.512 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCOCC2(CC2)C1)C1CC1 ZINC000329472429 361523519 /nfs/dbraw/zinc/52/35/19/361523519.db2.gz SGVKRXHUEBYMJX-AWEZNQCLSA-N 1 2 277.368 1.748 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCOCC2(CC2)C1)C1CC1 ZINC000329472429 361523522 /nfs/dbraw/zinc/52/35/22/361523522.db2.gz SGVKRXHUEBYMJX-AWEZNQCLSA-N 1 2 277.368 1.748 20 30 CDEDLO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000329500391 361529937 /nfs/dbraw/zinc/52/99/37/361529937.db2.gz FYANXIOHXLRAKV-WDEREUQCSA-N 1 2 274.386 1.004 20 30 CDEDLO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000329500391 361529941 /nfs/dbraw/zinc/52/99/41/361529941.db2.gz FYANXIOHXLRAKV-WDEREUQCSA-N 1 2 274.386 1.004 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000184412818 189385436 /nfs/dbraw/zinc/38/54/36/189385436.db2.gz FQOXHSGHDDLRAD-UHFFFAOYSA-N 1 2 269.370 1.426 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH2+][C@H](COC)c1ccco1 ZINC000184512694 189388077 /nfs/dbraw/zinc/38/80/77/189388077.db2.gz TWOIFGCKQAGUJA-WDEREUQCSA-N 1 2 252.314 1.247 20 30 CDEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC000456347210 364246073 /nfs/dbraw/zinc/24/60/73/364246073.db2.gz HVCUYFBYQBYDIK-SECBINFHSA-N 1 2 257.297 1.594 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2nc(C3CC3)no2)nn1 ZINC000640937133 364757257 /nfs/dbraw/zinc/75/72/57/364757257.db2.gz MDDOFGRVUZVLHS-JTQLQIEISA-N 1 2 286.339 1.261 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)CCC(C)C)nn1 ZINC000641228379 365232352 /nfs/dbraw/zinc/23/23/52/365232352.db2.gz ISPZAJHFZJWOAI-CQSZACIVSA-N 1 2 264.373 1.188 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000275677931 193102325 /nfs/dbraw/zinc/10/23/25/193102325.db2.gz GWDDVSOVDVGRJD-OCCSQVGLSA-N 1 2 265.357 1.617 20 30 CDEDLO CC[N@H+](CCOC)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000270694468 366922914 /nfs/dbraw/zinc/92/29/14/366922914.db2.gz GPHILVFCBWVBQG-AWEZNQCLSA-N 1 2 276.336 1.741 20 30 CDEDLO CC[N@@H+](CCOC)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000270694468 366922921 /nfs/dbraw/zinc/92/29/21/366922921.db2.gz GPHILVFCBWVBQG-AWEZNQCLSA-N 1 2 276.336 1.741 20 30 CDEDLO N#Cc1ccnc(N2CC[NH+](Cc3cncs3)CC2)c1 ZINC000271053338 366963909 /nfs/dbraw/zinc/96/39/09/366963909.db2.gz XXFZVJMRKIBSDN-UHFFFAOYSA-N 1 2 285.376 1.732 20 30 CDEDLO Cc1ccc(C#N)c(N[C@H](C)[C@H](C)[NH+]2CCOCC2)n1 ZINC000161208591 367600240 /nfs/dbraw/zinc/60/02/40/367600240.db2.gz ODDZFUKAKFDMKQ-OLZOCXBDSA-N 1 2 274.368 1.783 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](CC(=O)OC)[C@@H](C)CC)C1=O ZINC000281239347 367611649 /nfs/dbraw/zinc/61/16/49/367611649.db2.gz GAWZXXAVSUCJFS-RYUDHWBXSA-N 1 2 268.357 1.047 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](CC(=O)OC)[C@@H](C)CC)C1=O ZINC000281239347 367611655 /nfs/dbraw/zinc/61/16/55/367611655.db2.gz GAWZXXAVSUCJFS-RYUDHWBXSA-N 1 2 268.357 1.047 20 30 CDEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000330603729 203026950 /nfs/dbraw/zinc/02/69/50/203026950.db2.gz GEBHGGFKULQPEQ-AWEZNQCLSA-N 1 2 293.392 1.072 20 30 CDEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC000330603729 203026953 /nfs/dbraw/zinc/02/69/53/203026953.db2.gz GEBHGGFKULQPEQ-AWEZNQCLSA-N 1 2 293.392 1.072 20 30 CDEDLO N#CCCC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000567274561 370941713 /nfs/dbraw/zinc/94/17/13/370941713.db2.gz ZWFKVOYIRZLCGU-UHFFFAOYSA-N 1 2 260.341 1.885 20 30 CDEDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)s1 ZINC000545396160 369214606 /nfs/dbraw/zinc/21/46/06/369214606.db2.gz ZHFHWWOFZHXVCI-AMIZOPFISA-N 1 2 293.396 1.306 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1ccccc1 ZINC000564623756 370244074 /nfs/dbraw/zinc/24/40/74/370244074.db2.gz WZDJBZOSSONMTL-OAHLLOKOSA-N 1 2 259.353 1.579 20 30 CDEDLO Cn1cc[nH+]c1CN1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000331625822 204024125 /nfs/dbraw/zinc/02/41/25/204024125.db2.gz QZTKJDRWQAEMQF-HNNXBMFYSA-N 1 2 282.347 1.865 20 30 CDEDLO C=CCn1nnnc1SCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000568270507 371213769 /nfs/dbraw/zinc/21/37/69/371213769.db2.gz ILJREAJSELRYOB-PHIMTYICSA-N 1 2 283.401 1.060 20 30 CDEDLO C=CCn1nnnc1SCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000568270507 371213773 /nfs/dbraw/zinc/21/37/73/371213773.db2.gz ILJREAJSELRYOB-PHIMTYICSA-N 1 2 283.401 1.060 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000331808309 204185756 /nfs/dbraw/zinc/18/57/56/204185756.db2.gz YQTJHMXUAZYZTH-FZMZJTMJSA-N 1 2 299.334 1.270 20 30 CDEDLO COc1ccccc1CCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000575109531 371580156 /nfs/dbraw/zinc/58/01/56/371580156.db2.gz URGYFIUPGKTHIH-MRXNPFEDSA-N 1 2 289.379 1.588 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(F)c1 ZINC000578859619 372548269 /nfs/dbraw/zinc/54/82/69/372548269.db2.gz RIXNZIFMLIOFGI-CYBMUJFWSA-N 1 2 251.305 1.444 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(F)c1 ZINC000578859619 372548275 /nfs/dbraw/zinc/54/82/75/372548275.db2.gz RIXNZIFMLIOFGI-CYBMUJFWSA-N 1 2 251.305 1.444 20 30 CDEDLO N#CCC[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000579703937 372635337 /nfs/dbraw/zinc/63/53/37/372635337.db2.gz UQNVHOBLMCVIEG-LLVKDONJSA-N 1 2 265.263 1.573 20 30 CDEDLO N#Cc1cnn2ccn(Cc3[nH+]ccn3CC(F)(F)F)c12 ZINC000348019357 372816799 /nfs/dbraw/zinc/81/67/99/372816799.db2.gz BMXZUTPQBJSWQD-UHFFFAOYSA-N 1 2 294.240 1.815 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC(CC#N)CC1 ZINC000540992508 412813829 /nfs/dbraw/zinc/81/38/29/412813829.db2.gz GLTPVBXXUYSBON-ZDUSSCGKSA-N 1 2 294.399 1.042 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC(CC#N)CC1 ZINC000540992508 412813835 /nfs/dbraw/zinc/81/38/35/412813835.db2.gz GLTPVBXXUYSBON-ZDUSSCGKSA-N 1 2 294.399 1.042 20 30 CDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000301092614 373863836 /nfs/dbraw/zinc/86/38/36/373863836.db2.gz NTYQXNBDFCMCTR-ZDUSSCGKSA-N 1 2 298.390 1.347 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(F)c3)CC2)nn1 ZINC000301964370 373933013 /nfs/dbraw/zinc/93/30/13/373933013.db2.gz NSNBZLRGEFWIPH-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccccn2)C(N)=O)cc1 ZINC000360068399 373999203 /nfs/dbraw/zinc/99/92/03/373999203.db2.gz IOLBSICQDBGRIB-AWEZNQCLSA-N 1 2 266.304 1.269 20 30 CDEDLO N#Cc1cccc(CCNc2nc[nH+]c(N)c2Cl)c1 ZINC000359946941 373993364 /nfs/dbraw/zinc/99/33/64/373993364.db2.gz NKMRZSZOJFITBK-UHFFFAOYSA-N 1 2 273.727 1.660 20 30 CDEDLO N#Cc1cccc(CCNc2[nH+]cnc(N)c2Cl)c1 ZINC000359946941 373993370 /nfs/dbraw/zinc/99/33/70/373993370.db2.gz NKMRZSZOJFITBK-UHFFFAOYSA-N 1 2 273.727 1.660 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000359974565 373993817 /nfs/dbraw/zinc/99/38/17/373993817.db2.gz AEYSOCUKGGUDDI-CYBMUJFWSA-N 1 2 287.319 1.203 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000359974565 373993820 /nfs/dbraw/zinc/99/38/20/373993820.db2.gz AEYSOCUKGGUDDI-CYBMUJFWSA-N 1 2 287.319 1.203 20 30 CDEDLO C[C@@H]1C[NH+]=C(N2CCN(c3cccnc3C#N)CC2)S1 ZINC000274064436 374092733 /nfs/dbraw/zinc/09/27/33/374092733.db2.gz PERUUVBPXNOMMT-LLVKDONJSA-N 1 2 287.392 1.567 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367788354 374144482 /nfs/dbraw/zinc/14/44/82/374144482.db2.gz AMCMSCMVJSMSQE-WDNDVIMCSA-N 1 2 262.740 1.882 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367788354 374144493 /nfs/dbraw/zinc/14/44/93/374144493.db2.gz AMCMSCMVJSMSQE-WDNDVIMCSA-N 1 2 262.740 1.882 20 30 CDEDLO C[C@@H](CC(=O)Nc1n[nH]c(C2CC2)c1C#N)n1cc[nH+]c1 ZINC000516189993 374174677 /nfs/dbraw/zinc/17/46/77/374174677.db2.gz BYQJAYQBZMNCMP-VIFPVBQESA-N 1 2 284.323 1.945 20 30 CDEDLO Cc1cc(N2CCC[C@H](n3cc(CO)nn3)C2)c(C#N)c[nH+]1 ZINC000516279143 374176661 /nfs/dbraw/zinc/17/66/61/374176661.db2.gz NXSLKHUMYDIAIY-AWEZNQCLSA-N 1 2 298.350 1.187 20 30 CDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2C[C@H](O)[C@@H](C)C2)c(C#N)c1C ZINC000351776468 374283101 /nfs/dbraw/zinc/28/31/01/374283101.db2.gz BLGNUKFPTITWAR-FWDPORAESA-N 1 2 291.351 1.408 20 30 CDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2C[C@H](O)[C@@H](C)C2)c(C#N)c1C ZINC000351776468 374283103 /nfs/dbraw/zinc/28/31/03/374283103.db2.gz BLGNUKFPTITWAR-FWDPORAESA-N 1 2 291.351 1.408 20 30 CDEDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1CCOc1ccccc1C#N ZINC000369360054 374351153 /nfs/dbraw/zinc/35/11/53/374351153.db2.gz VGJLISRCONZNCW-XCLFUZPHSA-N 1 2 292.404 1.780 20 30 CDEDLO C[C@@H]1CC[S@](=O)CC[N@H+]1CCOc1ccccc1C#N ZINC000369360054 374351157 /nfs/dbraw/zinc/35/11/57/374351157.db2.gz VGJLISRCONZNCW-XCLFUZPHSA-N 1 2 292.404 1.780 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000375946969 374525980 /nfs/dbraw/zinc/52/59/80/374525980.db2.gz JMRZPEBOCYAGTJ-MPBGBICISA-N 1 2 292.404 1.767 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000375946969 374525986 /nfs/dbraw/zinc/52/59/86/374525986.db2.gz JMRZPEBOCYAGTJ-MPBGBICISA-N 1 2 292.404 1.767 20 30 CDEDLO N#Cc1cc(C[NH+]2CCN(c3cnccn3)CC2)ccc1F ZINC000160777511 374529866 /nfs/dbraw/zinc/52/98/66/374529866.db2.gz NDMMVRNDCYNPDA-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO N#Cc1cccc(C=CC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000378200814 374634906 /nfs/dbraw/zinc/63/49/06/374634906.db2.gz LJLSHUHCDXUZHZ-BTKRWWFXSA-N 1 2 292.342 1.968 20 30 CDEDLO N#Cc1cccc(C=CC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000378200814 374634909 /nfs/dbraw/zinc/63/49/09/374634909.db2.gz LJLSHUHCDXUZHZ-BTKRWWFXSA-N 1 2 292.342 1.968 20 30 CDEDLO CCS(=O)(=O)CC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000118392778 374656931 /nfs/dbraw/zinc/65/69/31/374656931.db2.gz KIFUXZFJAUZCCG-UHFFFAOYSA-N 1 2 266.366 1.425 20 30 CDEDLO CCS(=O)(=O)CC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000118392778 374656942 /nfs/dbraw/zinc/65/69/42/374656942.db2.gz KIFUXZFJAUZCCG-UHFFFAOYSA-N 1 2 266.366 1.425 20 30 CDEDLO CC(C)[NH+]1CC(NC(=O)CSc2ccc(C#N)cc2)C1 ZINC000275240435 374693544 /nfs/dbraw/zinc/69/35/44/374693544.db2.gz OALOSZSDUUBTNG-UHFFFAOYSA-N 1 2 289.404 1.859 20 30 CDEDLO CCN1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1c1[nH]cc[nH+]1 ZINC000328615401 374718951 /nfs/dbraw/zinc/71/89/51/374718951.db2.gz AVSOPKXQKIDVQF-ZDUSSCGKSA-N 1 2 298.350 1.128 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000124819605 374850390 /nfs/dbraw/zinc/85/03/90/374850390.db2.gz WLXRXHKFPACLKM-NSHDSACASA-N 1 2 250.323 1.757 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C#N)cs1 ZINC000124819605 374850396 /nfs/dbraw/zinc/85/03/96/374850396.db2.gz WLXRXHKFPACLKM-NSHDSACASA-N 1 2 250.323 1.757 20 30 CDEDLO CS(=O)(=O)[C@H]1CC[N@H+](CCOc2ccccc2C#N)C1 ZINC000282320535 375078443 /nfs/dbraw/zinc/07/84/43/375078443.db2.gz UIICBNPBOGJRRS-ZDUSSCGKSA-N 1 2 294.376 1.056 20 30 CDEDLO CS(=O)(=O)[C@H]1CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000282320535 375078448 /nfs/dbraw/zinc/07/84/48/375078448.db2.gz UIICBNPBOGJRRS-ZDUSSCGKSA-N 1 2 294.376 1.056 20 30 CDEDLO COCC[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000283525338 375118370 /nfs/dbraw/zinc/11/83/70/375118370.db2.gz KQKWFBZRLKZEGB-UHFFFAOYSA-N 1 2 266.370 1.092 20 30 CDEDLO CC1CCN(C(=O)C2CC[NH+](CCC#N)CC2)CC1 ZINC000049752142 375460945 /nfs/dbraw/zinc/46/09/45/375460945.db2.gz CWIPRDAAGVQSNN-UHFFFAOYSA-N 1 2 263.385 1.871 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2nc(C)cs2)CC1 ZINC000047890796 375855641 /nfs/dbraw/zinc/85/56/41/375855641.db2.gz CPNHNLMJUHLCJN-GFCCVEGCSA-N 1 2 294.424 1.264 20 30 CDEDLO CC[C@@H]1CN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CCO1 ZINC000328617091 375895508 /nfs/dbraw/zinc/89/55/08/375895508.db2.gz TUYUXVHICGTESR-CHWSQXEVSA-N 1 2 292.383 1.785 20 30 CDEDLO Cc1ccc(NC(=O)N2C[C@@H]3COC[C@H](C2)O3)c(C)[nH+]1 ZINC000328727346 375954586 /nfs/dbraw/zinc/95/45/86/375954586.db2.gz DCMVJYRQTCMKOU-TXEJJXNPSA-N 1 2 277.324 1.344 20 30 CDEDLO C[C@@H]1C[C@@H]1CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000328780058 375967898 /nfs/dbraw/zinc/96/78/98/375967898.db2.gz FCGDTFZNSZSNRF-GRYCIOLGSA-N 1 2 262.357 1.779 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000025506966 375917167 /nfs/dbraw/zinc/91/71/67/375917167.db2.gz OAPQWFVGAHSDQK-CYBMUJFWSA-N 1 2 289.354 1.086 20 30 CDEDLO C[C@H](C(=O)Nc1ncccn1)N1CCn2cc[nH+]c2C1 ZINC000328865412 375992769 /nfs/dbraw/zinc/99/27/69/375992769.db2.gz BSDFPHKQOVNESV-SNVBAGLBSA-N 1 2 272.312 1.165 20 30 CDEDLO COC1(C(=O)NCC2([NH+]3CCOCC3)CC2)CCOCC1 ZINC000328882161 375998885 /nfs/dbraw/zinc/99/88/85/375998885.db2.gz MRSZGNZQXHUBLK-UHFFFAOYSA-N 1 2 298.383 1.003 20 30 CDEDLO C[C@H](Cn1cccn1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328934065 376012036 /nfs/dbraw/zinc/01/20/36/376012036.db2.gz PXCJUZBPJXPWJY-VXGBXAGGSA-N 1 2 273.340 1.687 20 30 CDEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2scnc2C2CC2)C1 ZINC000328946945 376018085 /nfs/dbraw/zinc/01/80/85/376018085.db2.gz VNXDAKUKFJBTLA-VIFPVBQESA-N 1 2 267.354 1.939 20 30 CDEDLO C[N@H+]1CCO[C@H](C(=O)Nc2scnc2C2CC2)C1 ZINC000328946945 376018088 /nfs/dbraw/zinc/01/80/88/376018088.db2.gz VNXDAKUKFJBTLA-VIFPVBQESA-N 1 2 267.354 1.939 20 30 CDEDLO C#CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245667188 376132149 /nfs/dbraw/zinc/13/21/49/376132149.db2.gz JBIPCKRRZIIWFE-ZIAGYGMSSA-N 1 2 293.317 1.642 20 30 CDEDLO C#CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245667188 376132152 /nfs/dbraw/zinc/13/21/52/376132152.db2.gz JBIPCKRRZIIWFE-ZIAGYGMSSA-N 1 2 293.317 1.642 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000330546211 376214808 /nfs/dbraw/zinc/21/48/08/376214808.db2.gz VFSCMBWZURBDOT-UPJWGTAASA-N 1 2 294.399 1.630 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000330546211 376214813 /nfs/dbraw/zinc/21/48/13/376214813.db2.gz VFSCMBWZURBDOT-UPJWGTAASA-N 1 2 294.399 1.630 20 30 CDEDLO C[C@@H](Nc1ncccc1C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000264316583 190103135 /nfs/dbraw/zinc/10/31/35/190103135.db2.gz UKNDTFPVOAQMQB-VXGBXAGGSA-N 1 2 260.341 1.474 20 30 CDEDLO N#Cc1cc([N+](=O)[O-])cnc1NCc1ccn2cc[nH+]c2c1 ZINC000354403439 376710279 /nfs/dbraw/zinc/71/02/79/376710279.db2.gz NYXPMUKNLLVWSE-UHFFFAOYSA-N 1 2 294.274 1.543 20 30 CDEDLO C=CC[N@H+](CC(=O)NC1CC1)Cc1ccc(OC)cc1 ZINC000054272038 376994804 /nfs/dbraw/zinc/99/48/04/376994804.db2.gz XRUIOHFLRUXFRT-UHFFFAOYSA-N 1 2 274.364 1.962 20 30 CDEDLO C=CC[N@@H+](CC(=O)NC1CC1)Cc1ccc(OC)cc1 ZINC000054272038 376994815 /nfs/dbraw/zinc/99/48/15/376994815.db2.gz XRUIOHFLRUXFRT-UHFFFAOYSA-N 1 2 274.364 1.962 20 30 CDEDLO C=CCNC(=O)C[N@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000076147851 377466440 /nfs/dbraw/zinc/46/64/40/377466440.db2.gz YKWUFRKJSOLJEK-ZFWWWQNUSA-N 1 2 274.364 1.751 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000076147851 377466446 /nfs/dbraw/zinc/46/64/46/377466446.db2.gz YKWUFRKJSOLJEK-ZFWWWQNUSA-N 1 2 274.364 1.751 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N(C)Cc1ccccc1C ZINC000076185982 377466963 /nfs/dbraw/zinc/46/69/63/377466963.db2.gz UPVNTRISDKGQMQ-UHFFFAOYSA-N 1 2 268.360 1.522 20 30 CDEDLO C=CCNC(=O)C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057847483 377827158 /nfs/dbraw/zinc/82/71/58/377827158.db2.gz KLFZIEJCFDRDTQ-UHFFFAOYSA-N 1 2 287.407 1.728 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(C)oc3C)n2C)CC1 ZINC000283647334 378125013 /nfs/dbraw/zinc/12/50/13/378125013.db2.gz XZFVEHRPSCHKTA-UHFFFAOYSA-N 1 2 299.378 1.447 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2CC(C)C)CC1 ZINC000283140655 378088523 /nfs/dbraw/zinc/08/85/23/378088523.db2.gz WSRJQBSVEDSINP-UHFFFAOYSA-N 1 2 287.411 1.567 20 30 CDEDLO C#CCCCC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000192156831 378187675 /nfs/dbraw/zinc/18/76/75/378187675.db2.gz LGVXREWXSARQLT-UHFFFAOYSA-N 1 2 287.363 1.969 20 30 CDEDLO N#C[C@H]1CC[C@@H](Nc2cccc(C[N@@H+]3CCNC(=O)C3)c2)C1 ZINC000563845544 378282785 /nfs/dbraw/zinc/28/27/85/378282785.db2.gz NSBULAAUCGRAHX-XJKSGUPXSA-N 1 2 298.390 1.723 20 30 CDEDLO N#C[C@H]1CC[C@@H](Nc2cccc(C[N@H+]3CCNC(=O)C3)c2)C1 ZINC000563845544 378282786 /nfs/dbraw/zinc/28/27/86/378282786.db2.gz NSBULAAUCGRAHX-XJKSGUPXSA-N 1 2 298.390 1.723 20 30 CDEDLO C#C[C@@H](NC(=O)[C@H](c1c[nH+]cn1C)N(C)C)C(C)(C)C ZINC000291796295 378478369 /nfs/dbraw/zinc/47/83/69/378478369.db2.gz WQICURWFUKBJMW-OLZOCXBDSA-N 1 2 276.384 1.187 20 30 CDEDLO CC1(C)C[N@H+](CCNC(=O)c2cccc(C#N)c2)CCO1 ZINC000194900454 378489163 /nfs/dbraw/zinc/48/91/63/378489163.db2.gz FYAHKJYTJCZDGX-UHFFFAOYSA-N 1 2 287.363 1.399 20 30 CDEDLO CC1(C)C[N@@H+](CCNC(=O)c2cccc(C#N)c2)CCO1 ZINC000194900454 378489167 /nfs/dbraw/zinc/48/91/67/378489167.db2.gz FYAHKJYTJCZDGX-UHFFFAOYSA-N 1 2 287.363 1.399 20 30 CDEDLO C#CCO[C@H](C)C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000295355638 378670241 /nfs/dbraw/zinc/67/02/41/378670241.db2.gz CCUAWSFXHLMQDC-VXGBXAGGSA-N 1 2 275.352 1.368 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000296471684 378721450 /nfs/dbraw/zinc/72/14/50/378721450.db2.gz KACGAQPZCLPDHM-GFCCVEGCSA-N 1 2 259.353 1.989 20 30 CDEDLO C=CCCN(C)c1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000663836579 412902565 /nfs/dbraw/zinc/90/25/65/412902565.db2.gz MVMVKWKLEMFBFY-UHFFFAOYSA-N 1 2 276.384 1.840 20 30 CDEDLO C=CCCN(C)c1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663836579 412902570 /nfs/dbraw/zinc/90/25/70/412902570.db2.gz MVMVKWKLEMFBFY-UHFFFAOYSA-N 1 2 276.384 1.840 20 30 CDEDLO CN(CC[NH+]1CCOCC1)C(=O)c1ccc(F)c(C#N)c1 ZINC000278718080 194119063 /nfs/dbraw/zinc/11/90/63/194119063.db2.gz CIKKTLMRMBAELY-UHFFFAOYSA-N 1 2 291.326 1.102 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000278855863 194185068 /nfs/dbraw/zinc/18/50/68/194185068.db2.gz LUAGVSKRUSWRSE-CYBMUJFWSA-N 1 2 251.330 1.059 20 30 CDEDLO CO[C@@H]1C[NH+](Cc2ccc(F)cc2C#N)C[C@H]1OC ZINC000487963631 252917589 /nfs/dbraw/zinc/91/75/89/252917589.db2.gz RGLJGQYYPFDJOT-ZIAGYGMSSA-N 1 2 264.300 1.543 20 30 CDEDLO N#Cc1ccc(C(=O)CNC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000492825133 253303694 /nfs/dbraw/zinc/30/36/94/253303694.db2.gz BNWQHFQGDGYYLH-AATRIKPKSA-N 1 2 280.287 1.294 20 30 CDEDLO CCc1nocc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000507132233 254097159 /nfs/dbraw/zinc/09/71/59/254097159.db2.gz KASWQFLONPMBLG-UHFFFAOYSA-N 1 2 297.362 1.826 20 30 CDEDLO C#C[C@@H](NC(=O)NCCNc1cccc[nH+]1)C(C)(C)C ZINC000288344699 197055355 /nfs/dbraw/zinc/05/53/55/197055355.db2.gz IIGKGONUTQDIDH-GFCCVEGCSA-N 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391106158 /nfs/dbraw/zinc/10/61/58/391106158.db2.gz MRHDVWUXNMABJM-UHFFFAOYSA-N 1 2 262.378 1.636 20 30 CDEDLO C#CCCCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC000373109296 391106159 /nfs/dbraw/zinc/10/61/59/391106159.db2.gz MRHDVWUXNMABJM-UHFFFAOYSA-N 1 2 262.378 1.636 20 30 CDEDLO C[C@@H]1N(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCOC1(C)C ZINC000329630037 391046919 /nfs/dbraw/zinc/04/69/19/391046919.db2.gz VGPNZKTXZVBPDS-WDEREUQCSA-N 1 2 292.383 1.680 20 30 CDEDLO C[C@@H]1N(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCOC1(C)C ZINC000329630037 391046922 /nfs/dbraw/zinc/04/69/22/391046922.db2.gz VGPNZKTXZVBPDS-WDEREUQCSA-N 1 2 292.383 1.680 20 30 CDEDLO CCOc1ccccc1C[NH+]1CCN(CC#N)CC1 ZINC000174136525 391116326 /nfs/dbraw/zinc/11/63/26/391116326.db2.gz TVHMBTRMJIGQAK-UHFFFAOYSA-N 1 2 259.353 1.726 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000373494951 391121316 /nfs/dbraw/zinc/12/13/16/391121316.db2.gz DLGQSPXIYJWHGG-GOEBONIOSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000373494951 391121321 /nfs/dbraw/zinc/12/13/21/391121321.db2.gz DLGQSPXIYJWHGG-GOEBONIOSA-N 1 2 296.411 1.291 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@](C)(C2CCCC2)C1=O ZINC000491566930 391159662 /nfs/dbraw/zinc/15/96/62/391159662.db2.gz IVUVJJHQAIKOGE-XHDPSFHLSA-N 1 2 277.368 1.398 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@](C)(C2CCCC2)C1=O ZINC000491566930 391159665 /nfs/dbraw/zinc/15/96/65/391159665.db2.gz IVUVJJHQAIKOGE-XHDPSFHLSA-N 1 2 277.368 1.398 20 30 CDEDLO C=CCn1cccc1C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000345420667 391186463 /nfs/dbraw/zinc/18/64/63/391186463.db2.gz DLLZFSDLVMSHSI-CQSZACIVSA-N 1 2 291.395 1.467 20 30 CDEDLO CN(C)c1noc([C@@H]2CCC[N@H+](CC3(C#N)CC3)C2)n1 ZINC000338385956 391201276 /nfs/dbraw/zinc/20/12/76/391201276.db2.gz QVLRBHTVWIGDIS-LLVKDONJSA-N 1 2 275.356 1.619 20 30 CDEDLO CN(C)c1noc([C@@H]2CCC[N@@H+](CC3(C#N)CC3)C2)n1 ZINC000338385956 391201279 /nfs/dbraw/zinc/20/12/79/391201279.db2.gz 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C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000330618577 391460008 /nfs/dbraw/zinc/46/00/08/391460008.db2.gz XUYIIHJBIFLTGF-QWHCGFSZSA-N 1 2 276.384 1.809 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000330618577 391460010 /nfs/dbraw/zinc/46/00/10/391460010.db2.gz XUYIIHJBIFLTGF-QWHCGFSZSA-N 1 2 276.384 1.809 20 30 CDEDLO N#CCNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354393308 391417830 /nfs/dbraw/zinc/41/78/30/391417830.db2.gz REFVIDBSENIZNO-UHFFFAOYSA-N 1 2 268.320 1.944 20 30 CDEDLO C=CCCCN1CC[NH+](C(COC)COC)CC1 ZINC000411866024 391532456 /nfs/dbraw/zinc/53/24/56/391532456.db2.gz UYQCZYCPHIVKCC-UHFFFAOYSA-N 1 2 256.390 1.232 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1ccon1 ZINC000349244149 391539829 /nfs/dbraw/zinc/53/98/29/391539829.db2.gz QGYUFEVTGMOYDJ-ZWNOBZJWSA-N 1 2 264.329 1.380 20 30 CDEDLO C=CCOC[C@@H]([NH2+]C[C@@H]1CCSC1)C(=O)OC ZINC000361115959 391683807 /nfs/dbraw/zinc/68/38/07/391683807.db2.gz ZJMGVENAOVKEIY-WDEREUQCSA-N 1 2 259.371 1.073 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000192223828 391715115 /nfs/dbraw/zinc/71/51/15/391715115.db2.gz BPNNTRQEXICUAX-AWEZNQCLSA-N 1 2 260.312 1.710 20 30 CDEDLO C#CC[N@H+](C)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000192223828 391715118 /nfs/dbraw/zinc/71/51/18/391715118.db2.gz BPNNTRQEXICUAX-AWEZNQCLSA-N 1 2 260.312 1.710 20 30 CDEDLO C=C(C)CC[NH+]1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000351871408 391764345 /nfs/dbraw/zinc/76/43/45/391764345.db2.gz SSQQFNPUMDCRQR-UHFFFAOYSA-N 1 2 295.408 1.354 20 30 CDEDLO C[C@@H]1OCC[C@]1(C)NC(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000329750857 391771174 /nfs/dbraw/zinc/77/11/74/391771174.db2.gz IKRFQDJFTIOXQI-ZOWXZIJZSA-N 1 2 292.383 1.832 20 30 CDEDLO C#CCN(CC#C)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372448358 391853183 /nfs/dbraw/zinc/85/31/83/391853183.db2.gz XQLHWXYSHNKJTO-CYBMUJFWSA-N 1 2 283.375 1.733 20 30 CDEDLO C#CCN(CC#C)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372448358 391853187 /nfs/dbraw/zinc/85/31/87/391853187.db2.gz XQLHWXYSHNKJTO-CYBMUJFWSA-N 1 2 283.375 1.733 20 30 CDEDLO CC(C)[N@H+](CC(=O)NCC#N)Cc1ccccc1F ZINC000343044413 392084048 /nfs/dbraw/zinc/08/40/48/392084048.db2.gz WXZWGZMQHUDJMX-UHFFFAOYSA-N 1 2 263.316 1.676 20 30 CDEDLO CC(C)[N@@H+](CC(=O)NCC#N)Cc1ccccc1F ZINC000343044413 392084052 /nfs/dbraw/zinc/08/40/52/392084052.db2.gz WXZWGZMQHUDJMX-UHFFFAOYSA-N 1 2 263.316 1.676 20 30 CDEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(CC(F)(F)F)CC2)C1 ZINC000334254235 392053331 /nfs/dbraw/zinc/05/33/31/392053331.db2.gz MSVLTNIIEWEUFK-GHMZBOCLSA-N 1 2 261.291 1.859 20 30 CDEDLO CN1CC[C@H]([N@H+](C)CC#Cc2ccc(Cl)cc2)C1=O ZINC000267432861 392095046 /nfs/dbraw/zinc/09/50/46/392095046.db2.gz ZEJHEQSRCNWACU-AWEZNQCLSA-N 1 2 276.767 1.854 20 30 CDEDLO CN1CC[C@H]([N@@H+](C)CC#Cc2ccc(Cl)cc2)C1=O ZINC000267432861 392095057 /nfs/dbraw/zinc/09/50/57/392095057.db2.gz ZEJHEQSRCNWACU-AWEZNQCLSA-N 1 2 276.767 1.854 20 30 CDEDLO CC[C@@H](NC(=O)CNc1cccc(C#N)c1)c1[nH]cc[nH+]1 ZINC000442814537 392499933 /nfs/dbraw/zinc/49/99/33/392499933.db2.gz VGXMFHXJZQFUIL-CYBMUJFWSA-N 1 2 283.335 1.961 20 30 CDEDLO Cn1cc(C[N@@H+]2CCc3cncnc3C2)cc1C#N ZINC000361512220 392760352 /nfs/dbraw/zinc/76/03/52/392760352.db2.gz XPUOCIXVBJJVBH-UHFFFAOYSA-N 1 2 253.309 1.245 20 30 CDEDLO Cn1cc(C[N@H+]2CCc3cncnc3C2)cc1C#N ZINC000361512220 392760361 /nfs/dbraw/zinc/76/03/61/392760361.db2.gz XPUOCIXVBJJVBH-UHFFFAOYSA-N 1 2 253.309 1.245 20 30 CDEDLO Cc1cc(NCc2nnc(C(C)C)n2C)c(C#N)c[nH+]1 ZINC000425252544 393005519 /nfs/dbraw/zinc/00/55/19/393005519.db2.gz ZXDHPVXVBFGRBU-UHFFFAOYSA-N 1 2 270.340 1.548 20 30 CDEDLO Cn1cc(C[N@@H+]2CCCC[C@@H]2CS(C)(=O)=O)cc1C#N ZINC000449548125 393133372 /nfs/dbraw/zinc/13/33/72/393133372.db2.gz ZMSPMZMJIWICRX-CYBMUJFWSA-N 1 2 295.408 1.296 20 30 CDEDLO Cn1cc(C[N@H+]2CCCC[C@@H]2CS(C)(=O)=O)cc1C#N ZINC000449548125 393133376 /nfs/dbraw/zinc/13/33/76/393133376.db2.gz ZMSPMZMJIWICRX-CYBMUJFWSA-N 1 2 295.408 1.296 20 30 CDEDLO COCC[N@H+](CC(=O)OC)Cc1ccc(C#N)c(C)c1 ZINC000487866591 393272171 /nfs/dbraw/zinc/27/21/71/393272171.db2.gz HGWNGMNXCCMPMS-UHFFFAOYSA-N 1 2 276.336 1.488 20 30 CDEDLO COCC[N@@H+](CC(=O)OC)Cc1ccc(C#N)c(C)c1 ZINC000487866591 393272176 /nfs/dbraw/zinc/27/21/76/393272176.db2.gz HGWNGMNXCCMPMS-UHFFFAOYSA-N 1 2 276.336 1.488 20 30 CDEDLO Cc1ccn(Cc2[nH+]c3ccccc3n2C)c(=O)c1C#N ZINC000183274311 148294766 /nfs/dbraw/zinc/29/47/66/148294766.db2.gz MTMRNHZGMSFORT-UHFFFAOYSA-N 1 2 278.315 1.963 20 30 CDEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc(C#N)nc3)n2)C1 ZINC000349845515 154236216 /nfs/dbraw/zinc/23/62/16/154236216.db2.gz CDWDHJNHVZZHHC-ZDUSSCGKSA-N 1 2 299.334 1.785 20 30 CDEDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc(C#N)nc3)n2)C1 ZINC000349845515 154236219 /nfs/dbraw/zinc/23/62/19/154236219.db2.gz CDWDHJNHVZZHHC-ZDUSSCGKSA-N 1 2 299.334 1.785 20 30 CDEDLO Cc1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)nc1 ZINC000350006010 154304589 /nfs/dbraw/zinc/30/45/89/154304589.db2.gz OIXPEAKJLAJVCC-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO N#Cc1cc(F)ccc1CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173943375 413323918 /nfs/dbraw/zinc/32/39/18/413323918.db2.gz SFKBLVKKCPSDOL-MRXNPFEDSA-N 1 2 289.354 1.604 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173943375 413323926 /nfs/dbraw/zinc/32/39/26/413323926.db2.gz SFKBLVKKCPSDOL-MRXNPFEDSA-N 1 2 289.354 1.604 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173943375 413323933 /nfs/dbraw/zinc/32/39/33/413323933.db2.gz SFKBLVKKCPSDOL-MRXNPFEDSA-N 1 2 289.354 1.604 20 30 CDEDLO COc1cc(CN2CCc3c([nH+]cn3C)C2)ccc1C#N ZINC000375597076 160395454 /nfs/dbraw/zinc/39/54/54/160395454.db2.gz JPTMGKPEKNWEQC-UHFFFAOYSA-N 1 2 282.347 1.859 20 30 CDEDLO CC[N@H+](CC(N)=O)Cc1ccc(C#N)cc1OC(F)F ZINC000355610119 157142874 /nfs/dbraw/zinc/14/28/74/157142874.db2.gz SFOCDLXXTXIJTN-UHFFFAOYSA-N 1 2 283.278 1.467 20 30 CDEDLO CC[N@@H+](CC(N)=O)Cc1ccc(C#N)cc1OC(F)F ZINC000355610119 157142877 /nfs/dbraw/zinc/14/28/77/157142877.db2.gz SFOCDLXXTXIJTN-UHFFFAOYSA-N 1 2 283.278 1.467 20 30 CDEDLO COc1cc(C[N@@H+]2CC[S@@](=O)CC[C@H]2C)ccc1C#N ZINC000373026422 160166266 /nfs/dbraw/zinc/16/62/66/160166266.db2.gz SKPUMRXTGOEIFX-ODXCJYRJSA-N 1 2 292.404 1.910 20 30 CDEDLO COc1cc(C[N@H+]2CC[S@@](=O)CC[C@H]2C)ccc1C#N ZINC000373026422 160166267 /nfs/dbraw/zinc/16/62/67/160166267.db2.gz SKPUMRXTGOEIFX-ODXCJYRJSA-N 1 2 292.404 1.910 20 30 CDEDLO C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1cnn(C)c1 ZINC000329002740 227254552 /nfs/dbraw/zinc/25/45/52/227254552.db2.gz WKGPOHFZNBVUBH-WDEREUQCSA-N 1 2 273.340 1.897 20 30 CDEDLO O=C(NC[C@@H]1COCCO1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329176821 227340154 /nfs/dbraw/zinc/34/01/54/227340154.db2.gz MWQGLRACLSQLDJ-VXGBXAGGSA-N 1 2 294.355 1.266 20 30 CDEDLO C[C@H](CNC(=O)C[C@H]1CCC(=O)[C@H]1C)[NH+]1CCOCC1 ZINC000330000631 228012480 /nfs/dbraw/zinc/01/24/80/228012480.db2.gz WUAHEWGSLBJVPC-FRRDWIJNSA-N 1 2 282.384 1.669 20 30 CDEDLO O=C(CSc1n[nH]c(=O)[nH]1)NC1CC[NH+](C2CC2)CC1 ZINC000330137573 228047493 /nfs/dbraw/zinc/04/74/93/228047493.db2.gz UZJKGTMTRZRNSA-UHFFFAOYSA-N 1 2 297.384 1.186 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NCC(F)(F)F ZINC000332474937 260011762 /nfs/dbraw/zinc/01/17/62/260011762.db2.gz MQOWRSJDYDRBFM-YUMQZZPRSA-N 1 2 251.252 1.145 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NCC(F)(F)F ZINC000332474937 260011764 /nfs/dbraw/zinc/01/17/64/260011764.db2.gz MQOWRSJDYDRBFM-YUMQZZPRSA-N 1 2 251.252 1.145 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1noc(C)n1 ZINC000332402393 260005079 /nfs/dbraw/zinc/00/50/79/260005079.db2.gz WGAOGBZSFZAMGV-RYUDHWBXSA-N 1 2 251.330 1.842 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1noc(C)n1 ZINC000332402393 260005081 /nfs/dbraw/zinc/00/50/81/260005081.db2.gz WGAOGBZSFZAMGV-RYUDHWBXSA-N 1 2 251.330 1.842 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@@H](C)CO1 ZINC000407965835 260127531 /nfs/dbraw/zinc/12/75/31/260127531.db2.gz LFFQHUGNCSBIFX-UONOGXRCSA-N 1 2 293.411 1.780 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@@H](C)CO1 ZINC000407965835 260127532 /nfs/dbraw/zinc/12/75/32/260127532.db2.gz LFFQHUGNCSBIFX-UONOGXRCSA-N 1 2 293.411 1.780 20 30 CDEDLO CCCNC(=O)CO[NH+]=C(N)c1cccc(Cl)c1 ZINC000048376236 260199363 /nfs/dbraw/zinc/19/93/63/260199363.db2.gz MHQPDRBOVSMXIK-UHFFFAOYSA-N 1 2 269.732 1.503 20 30 CDEDLO Cc1ccc(C(N)=[NH+]OCC(=O)NC2CC2)cc1F ZINC000048610742 260201375 /nfs/dbraw/zinc/20/13/75/260201375.db2.gz QLHSJTCHRVIXIL-UHFFFAOYSA-N 1 2 265.288 1.050 20 30 CDEDLO Cc1ccc(C(N)=[NH+]OCC(=O)N(C)C2CC2)cc1F ZINC000049065808 260203183 /nfs/dbraw/zinc/20/31/83/260203183.db2.gz OJVIJLUEMYAYGC-UHFFFAOYSA-N 1 2 279.315 1.392 20 30 CDEDLO CC[C@H](C)NC(=O)CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000049066038 260203611 /nfs/dbraw/zinc/20/36/11/260203611.db2.gz GWKNANKHZJLGBM-JTQLQIEISA-N 1 2 281.331 1.686 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccccc1C#N ZINC000078681766 260302298 /nfs/dbraw/zinc/30/22/98/260302298.db2.gz HJXHBRNLKJLNQL-UHFFFAOYSA-N 1 2 298.390 1.606 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(CC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000490866419 261231192 /nfs/dbraw/zinc/23/11/92/261231192.db2.gz OTGODMCANUJKNT-MRXNPFEDSA-N 1 2 291.416 1.871 20 30 CDEDLO C#CC[N@H+](Cc1ccc(CC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000490866419 261231193 /nfs/dbraw/zinc/23/11/93/261231193.db2.gz OTGODMCANUJKNT-MRXNPFEDSA-N 1 2 291.416 1.871 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)C(C)(Cl)Cl ZINC000490913193 261245525 /nfs/dbraw/zinc/24/55/25/261245525.db2.gz CIUAEAOIAFLADP-SECBINFHSA-N 1 2 264.152 1.821 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)C(C)(Cl)Cl ZINC000490913193 261245526 /nfs/dbraw/zinc/24/55/26/261245526.db2.gz CIUAEAOIAFLADP-SECBINFHSA-N 1 2 264.152 1.821 20 30 CDEDLO C=C(C)CN(CC)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105299799 261309732 /nfs/dbraw/zinc/30/97/32/261309732.db2.gz IYIODVYMSDFSSH-UONOGXRCSA-N 1 2 283.416 1.703 20 30 CDEDLO C[C@@H](NC(=O)N1CCC(C#N)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000105298211 261357509 /nfs/dbraw/zinc/35/75/09/261357509.db2.gz MVHINBUCTIISQA-CHWSQXEVSA-N 1 2 294.399 1.041 20 30 CDEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)CC#N)CC2)c1 ZINC000185189784 262044900 /nfs/dbraw/zinc/04/49/00/262044900.db2.gz YNYPRLAKFLNLBM-ZDUSSCGKSA-N 1 2 287.363 1.814 20 30 CDEDLO C#CCCCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000365562402 262370959 /nfs/dbraw/zinc/37/09/59/262370959.db2.gz HRGFITQDQMAIRX-OAHLLOKOSA-N 1 2 278.396 1.550 20 30 CDEDLO C#CCCCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000365562402 262370960 /nfs/dbraw/zinc/37/09/60/262370960.db2.gz HRGFITQDQMAIRX-OAHLLOKOSA-N 1 2 278.396 1.550 20 30 CDEDLO Cn1ncc2c1nc[nH+]c2N1CCC(C)(C#N)CC1 ZINC000272395896 263003802 /nfs/dbraw/zinc/00/38/02/263003802.db2.gz AFQDQJVWBWTSKP-UHFFFAOYSA-N 1 2 256.313 1.493 20 30 CDEDLO COCCN(C)c1ccc(C[N@H+](C)C[C@@H](C)C#N)cn1 ZINC000276805953 263038041 /nfs/dbraw/zinc/03/80/41/263038041.db2.gz WSFZBPSZNJRSEK-ZDUSSCGKSA-N 1 2 276.384 1.756 20 30 CDEDLO COCCN(C)c1ccc(C[N@@H+](C)C[C@@H](C)C#N)cn1 ZINC000276805953 263038042 /nfs/dbraw/zinc/03/80/42/263038042.db2.gz WSFZBPSZNJRSEK-ZDUSSCGKSA-N 1 2 276.384 1.756 20 30 CDEDLO CC(C)(C)n1ncnc1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000283953074 263085079 /nfs/dbraw/zinc/08/50/79/263085079.db2.gz FTDKYWOISRXQNN-SECBINFHSA-N 1 2 267.333 1.001 20 30 CDEDLO CCN(C(=O)CO[NH+]=C(N)[C@@H]1CCCO1)c1ccccc1 ZINC000284484501 263087176 /nfs/dbraw/zinc/08/71/76/263087176.db2.gz SAASQTYRYRTJHU-ZDUSSCGKSA-N 1 2 291.351 1.507 20 30 CDEDLO Cn1ncc(CO[NH+]=C(N)c2cccc(C(F)(F)F)c2)n1 ZINC000289343299 263109171 /nfs/dbraw/zinc/10/91/71/263109171.db2.gz GGSGFVWBSOQSEE-UHFFFAOYSA-N 1 2 299.256 1.671 20 30 CDEDLO CC1(C#N)CN(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000290715472 263118391 /nfs/dbraw/zinc/11/83/91/263118391.db2.gz ODYOSYJBUXZLMU-UHFFFAOYSA-N 1 2 255.281 1.712 20 30 CDEDLO Cc1ccoc1C[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000292469313 263132616 /nfs/dbraw/zinc/13/26/16/263132616.db2.gz ZQBCWEVHEJVBMX-HNNXBMFYSA-N 1 2 275.352 1.828 20 30 CDEDLO Cc1ccoc1C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000292469313 263132617 /nfs/dbraw/zinc/13/26/17/263132617.db2.gz ZQBCWEVHEJVBMX-HNNXBMFYSA-N 1 2 275.352 1.828 20 30 CDEDLO C[C@@H](C#N)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000340437721 263147625 /nfs/dbraw/zinc/14/76/25/263147625.db2.gz ZUSZXTFPZNZTJH-NSHDSACASA-N 1 2 254.293 1.573 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)C1CC1 ZINC000298752960 263225301 /nfs/dbraw/zinc/22/53/01/263225301.db2.gz HNEJSAMPZPMQFD-ZBFHGGJFSA-N 1 2 286.379 1.960 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1)C1CC1 ZINC000298752960 263225302 /nfs/dbraw/zinc/22/53/02/263225302.db2.gz HNEJSAMPZPMQFD-ZBFHGGJFSA-N 1 2 286.379 1.960 20 30 CDEDLO C=CC[C@@H](C)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000120324449 263284842 /nfs/dbraw/zinc/28/48/42/263284842.db2.gz HNBPBVZVYXTLHJ-GFCCVEGCSA-N 1 2 250.346 1.879 20 30 CDEDLO C[N@H+](CC(=O)NCC#N)[C@]1(c2ccccc2)CCCCC1=O ZINC000342140952 263398467 /nfs/dbraw/zinc/39/84/67/263398467.db2.gz YYSQLORZLYMAIE-KRWDZBQOSA-N 1 2 299.374 1.597 20 30 CDEDLO C[N@@H+](CC(=O)NCC#N)[C@]1(c2ccccc2)CCCCC1=O ZINC000342140952 263398468 /nfs/dbraw/zinc/39/84/68/263398468.db2.gz YYSQLORZLYMAIE-KRWDZBQOSA-N 1 2 299.374 1.597 20 30 CDEDLO Cc1[nH]ncc1CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000330848445 264067479 /nfs/dbraw/zinc/06/74/79/264067479.db2.gz PQYCGYAORULGQT-LLVKDONJSA-N 1 2 281.404 1.698 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cncc(F)c1 ZINC000330982963 264102776 /nfs/dbraw/zinc/10/27/76/264102776.db2.gz XQVVFZPLTYISQK-JTQLQIEISA-N 1 2 267.304 1.246 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cncc(F)c1 ZINC000330982963 264102778 /nfs/dbraw/zinc/10/27/78/264102778.db2.gz XQVVFZPLTYISQK-JTQLQIEISA-N 1 2 267.304 1.246 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C1=CCOCC1 ZINC000331004107 264105704 /nfs/dbraw/zinc/10/57/04/264105704.db2.gz YHYJTZHCOPAMPN-NSHDSACASA-N 1 2 254.330 1.010 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)nn1 ZINC000425354771 264127109 /nfs/dbraw/zinc/12/71/09/264127109.db2.gz NTPFCXKJLVFROT-UHFFFAOYSA-N 1 2 299.334 1.199 20 30 CDEDLO COCCO[C@@H]1CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000189700930 264322836 /nfs/dbraw/zinc/32/28/36/264322836.db2.gz LZUVGOSUCXKRMS-QWHCGFSZSA-N 1 2 251.330 1.167 20 30 CDEDLO COCCO[C@@H]1CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000189700930 264322838 /nfs/dbraw/zinc/32/28/38/264322838.db2.gz LZUVGOSUCXKRMS-QWHCGFSZSA-N 1 2 251.330 1.167 20 30 CDEDLO C=CC[N@@H+](CCOC)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000362046306 423776898 /nfs/dbraw/zinc/77/68/98/423776898.db2.gz GZFAGMKLAGVABK-AWEZNQCLSA-N 1 2 273.336 1.219 20 30 CDEDLO C=CC[N@H+](CCOC)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000362046306 423776910 /nfs/dbraw/zinc/77/69/10/423776910.db2.gz GZFAGMKLAGVABK-AWEZNQCLSA-N 1 2 273.336 1.219 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@]2(CO)CCc3ccccc32)nn1 ZINC000653587237 424310334 /nfs/dbraw/zinc/31/03/34/424310334.db2.gz VPSAOHKQSWGIRU-KRWDZBQOSA-N 1 2 298.390 1.778 20 30 CDEDLO C=C[C@H](CO)NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000356849385 266189177 /nfs/dbraw/zinc/18/91/77/266189177.db2.gz OMARAXJXDZLPDL-GFCCVEGCSA-N 1 2 271.320 1.457 20 30 CDEDLO C=CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)C1CC1 ZINC000357576954 266329529 /nfs/dbraw/zinc/32/95/29/266329529.db2.gz AZVIUKGEYFJEQO-QWHCGFSZSA-N 1 2 281.400 1.456 20 30 CDEDLO C=CCCS(=O)(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000361785988 266883946 /nfs/dbraw/zinc/88/39/46/266883946.db2.gz CPHMQYREMKEOLU-NSHDSACASA-N 1 2 269.370 1.115 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000362226100 266947741 /nfs/dbraw/zinc/94/77/41/266947741.db2.gz ZJPCACQBRVCCNP-HIFRSBDPSA-N 1 2 268.401 1.768 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000369232352 267227657 /nfs/dbraw/zinc/22/76/57/267227657.db2.gz VNLTWZYHZGYNCB-CHWSQXEVSA-N 1 2 265.357 1.002 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000369232352 267227662 /nfs/dbraw/zinc/22/76/62/267227662.db2.gz VNLTWZYHZGYNCB-CHWSQXEVSA-N 1 2 265.357 1.002 20 30 CDEDLO CC[C@@H](C(N)=O)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000370307905 267307684 /nfs/dbraw/zinc/30/76/84/267307684.db2.gz KDWNNRZYEFBKJL-LBPRGKRZSA-N 1 2 272.352 1.203 20 30 CDEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC000371781948 267463021 /nfs/dbraw/zinc/46/30/21/267463021.db2.gz QJYCGKVUYGKWBY-JKSUJKDBSA-N 1 2 283.375 1.990 20 30 CDEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC000371781948 267463024 /nfs/dbraw/zinc/46/30/24/267463024.db2.gz QJYCGKVUYGKWBY-JKSUJKDBSA-N 1 2 283.375 1.990 20 30 CDEDLO C=CCCCCCN(C)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000377179068 268053550 /nfs/dbraw/zinc/05/35/50/268053550.db2.gz OWZSIXDBVRMFKC-AWEZNQCLSA-N 1 2 268.401 1.912 20 30 CDEDLO C=CCCCCCN(C)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000377179068 268053552 /nfs/dbraw/zinc/05/35/52/268053552.db2.gz OWZSIXDBVRMFKC-AWEZNQCLSA-N 1 2 268.401 1.912 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)cn1)C1CC1 ZINC000557492924 290348443 /nfs/dbraw/zinc/34/84/43/290348443.db2.gz XUCROBOMIIPXOG-ZDUSSCGKSA-N 1 2 281.319 1.568 20 30 CDEDLO CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cccc(C#N)c1 ZINC000570791211 294308157 /nfs/dbraw/zinc/30/81/57/294308157.db2.gz CCAQGVXLVNVBKS-CYBMUJFWSA-N 1 2 280.331 1.980 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)N1CCc2ccc(C#N)cc21 ZINC000576421761 317136549 /nfs/dbraw/zinc/13/65/49/317136549.db2.gz HXEJSRSVNLDSOT-UHFFFAOYSA-N 1 2 266.304 1.424 20 30 CDEDLO COCCN(CC#N)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000563409246 328064152 /nfs/dbraw/zinc/06/41/52/328064152.db2.gz VKJWLPNIBSZKAP-UHFFFAOYSA-N 1 2 272.308 1.255 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+](CC)Cc1cnn(C)c1 ZINC000161076433 328125713 /nfs/dbraw/zinc/12/57/13/328125713.db2.gz UVUSDNWIDOJDKA-UHFFFAOYSA-N 1 2 276.384 1.443 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+](CC)Cc1cnn(C)c1 ZINC000161076433 328125714 /nfs/dbraw/zinc/12/57/14/328125714.db2.gz UVUSDNWIDOJDKA-UHFFFAOYSA-N 1 2 276.384 1.443 20 30 CDEDLO Cc1ccc([C@@H]([NH2+]CCC#N)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280948247 328237216 /nfs/dbraw/zinc/23/72/16/328237216.db2.gz XBMFEVXMDWSVIT-OCCSQVGLSA-N 1 2 280.393 1.973 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cncc2ccccc21 ZINC000570048521 327565092 /nfs/dbraw/zinc/56/50/92/327565092.db2.gz XZVHLTOQPOZJFO-MRXNPFEDSA-N 1 2 282.347 1.808 20 30 CDEDLO CCC[C@@H](C#N)NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000532762059 328807331 /nfs/dbraw/zinc/80/73/31/328807331.db2.gz GWLYSPNLCNKUPC-QWRGUYRKSA-N 1 2 255.387 1.232 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000582405827 328981042 /nfs/dbraw/zinc/98/10/42/328981042.db2.gz RVYNROUCDWJLQO-MCIONIFRSA-N 1 2 290.367 1.401 20 30 CDEDLO C#CCCCNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000177840859 329192963 /nfs/dbraw/zinc/19/29/63/329192963.db2.gz OHIMFCCGVRPZHX-KGLIPLIRSA-N 1 2 274.368 1.889 20 30 CDEDLO CCC(CC)[C@@H](C(=O)N[C@H](CC)CC#N)[NH+]1CCOCC1 ZINC000183879900 329253765 /nfs/dbraw/zinc/25/37/65/329253765.db2.gz UVNDAUWZZURIED-CABCVRRESA-N 1 2 295.427 1.932 20 30 CDEDLO COCCC[C@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000572125297 329946573 /nfs/dbraw/zinc/94/65/73/329946573.db2.gz WGKAWKVNQMQJQO-AAEUAGOBSA-N 1 2 255.362 1.009 20 30 CDEDLO C#CC[NH+]1CCN(c2nc(Cl)c(C#N)s2)CC1 ZINC000286310503 329977531 /nfs/dbraw/zinc/97/75/31/329977531.db2.gz ZCGXTDZLNDHIRL-UHFFFAOYSA-N 1 2 266.757 1.423 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccccc1OC1CC1 ZINC000580452892 330139086 /nfs/dbraw/zinc/13/90/86/330139086.db2.gz KEBUSHAKJLUVFB-INIZCTEOSA-N 1 2 287.363 1.801 20 30 CDEDLO C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CC(O)(CC#N)C1 ZINC000424144381 330289975 /nfs/dbraw/zinc/28/99/75/330289975.db2.gz XKEMTBWJCANLPL-JSGCOSHPSA-N 1 2 260.337 1.111 20 30 CDEDLO C=C(CC)CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000454540107 331148407 /nfs/dbraw/zinc/14/84/07/331148407.db2.gz JUDADSHOBMJMQM-QWHCGFSZSA-N 1 2 269.389 1.361 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCCCNc1cccc[nH+]1 ZINC000454545630 331148504 /nfs/dbraw/zinc/14/85/04/331148504.db2.gz ZSKQTYRVCWHVFH-OLZOCXBDSA-N 1 2 290.367 1.526 20 30 CDEDLO C=CCC[C@@H](NC(=O)CCc1c[nH+]cn1C)C(=O)OCC ZINC000456616457 331196916 /nfs/dbraw/zinc/19/69/16/331196916.db2.gz XMXXMGSZGXWOGX-CYBMUJFWSA-N 1 2 293.367 1.367 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000456784657 331203746 /nfs/dbraw/zinc/20/37/46/331203746.db2.gz XPNGITIVJNTOIN-JKSUJKDBSA-N 1 2 288.391 1.704 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000456784657 331203747 /nfs/dbraw/zinc/20/37/47/331203747.db2.gz XPNGITIVJNTOIN-JKSUJKDBSA-N 1 2 288.391 1.704 20 30 CDEDLO C=C(CC)CNC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000459072840 331269219 /nfs/dbraw/zinc/26/92/19/331269219.db2.gz INXAXXVFHNBQQW-OAHLLOKOSA-N 1 2 294.443 1.374 20 30 CDEDLO Cc1cc(C)c(CNC(=O)N(C)C[C@@H](C)C#N)c[nH+]1 ZINC000459123791 331270806 /nfs/dbraw/zinc/27/08/06/331270806.db2.gz PUNGGRUIVDHGHR-JTQLQIEISA-N 1 2 260.341 2.000 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459782973 331300731 /nfs/dbraw/zinc/30/07/31/331300731.db2.gz HTEHUKQRIASZOC-SLEUVZQESA-N 1 2 291.399 1.514 20 30 CDEDLO C=CCn1cccc1C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000488875815 332031201 /nfs/dbraw/zinc/03/12/01/332031201.db2.gz GIELAHKXKDNIKJ-CQSZACIVSA-N 1 2 290.411 1.040 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2cc(F)ccc2F)CC1 ZINC000490761947 332113718 /nfs/dbraw/zinc/11/37/18/332113718.db2.gz DAVDSRFTJAZDOM-UHFFFAOYSA-N 1 2 294.301 1.121 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1c(C)nc2sccn21 ZINC000490842031 332119906 /nfs/dbraw/zinc/11/99/06/332119906.db2.gz YDETVKFKHKADAP-LLVKDONJSA-N 1 2 290.392 1.274 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1c(C)nc2sccn21 ZINC000490842031 332119907 /nfs/dbraw/zinc/11/99/07/332119907.db2.gz YDETVKFKHKADAP-LLVKDONJSA-N 1 2 290.392 1.274 20 30 CDEDLO C#CC[N@@H+](CCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000490865582 332121862 /nfs/dbraw/zinc/12/18/62/332121862.db2.gz FAIRKAGCFRKBCS-MRXNPFEDSA-N 1 2 291.416 1.742 20 30 CDEDLO C#CC[N@H+](CCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000490865582 332121863 /nfs/dbraw/zinc/12/18/63/332121863.db2.gz FAIRKAGCFRKBCS-MRXNPFEDSA-N 1 2 291.416 1.742 20 30 CDEDLO C#CCNC(=O)C1CCN(c2cc[nH+]c(C(C)C)n2)CC1 ZINC000491155489 332158348 /nfs/dbraw/zinc/15/83/48/332158348.db2.gz RQFRSZMGJJWDSL-UHFFFAOYSA-N 1 2 286.379 1.566 20 30 CDEDLO C#C[C@@H]1COCCN1Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000491264078 332176199 /nfs/dbraw/zinc/17/61/99/332176199.db2.gz DXCFFBKXKCLYGA-CQSZACIVSA-N 1 2 269.348 1.945 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000491286083 332181366 /nfs/dbraw/zinc/18/13/66/332181366.db2.gz GVUUNHAHJAEBGU-NSHDSACASA-N 1 2 258.321 1.781 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000491286083 332181368 /nfs/dbraw/zinc/18/13/68/332181368.db2.gz GVUUNHAHJAEBGU-NSHDSACASA-N 1 2 258.321 1.781 20 30 CDEDLO C#C[C@H](CC)NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000491430676 332210604 /nfs/dbraw/zinc/21/06/04/332210604.db2.gz ZENLWHAKZYCGON-VXGBXAGGSA-N 1 2 260.341 1.582 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000491465723 332217192 /nfs/dbraw/zinc/21/71/92/332217192.db2.gz XSACTMDJBDOCMY-JTQLQIEISA-N 1 2 298.346 1.300 20 30 CDEDLO C#C[C@H](CCC)NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000491652737 332265474 /nfs/dbraw/zinc/26/54/74/332265474.db2.gz MMHBTMZVWIPDQE-UTUOFQBUSA-N 1 2 260.341 1.990 20 30 CDEDLO C#C[C@@H]1COCCN1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000491665531 332274120 /nfs/dbraw/zinc/27/41/20/332274120.db2.gz JBHOVTWQMNIDCB-CYBMUJFWSA-N 1 2 290.367 1.083 20 30 CDEDLO C#C[C@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C(C)(C)C ZINC000491717258 332306864 /nfs/dbraw/zinc/30/68/64/332306864.db2.gz PUHMUGNMAKAHGK-PWSUYJOCSA-N 1 2 259.353 1.994 20 30 CDEDLO C#C[C@H](NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21)C(C)(C)C ZINC000491717258 332306866 /nfs/dbraw/zinc/30/68/66/332306866.db2.gz PUHMUGNMAKAHGK-PWSUYJOCSA-N 1 2 259.353 1.994 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cc(F)ccc1F ZINC000491746765 332324324 /nfs/dbraw/zinc/32/43/24/332324324.db2.gz QUGGAUXWDFXVFM-VIFPVBQESA-N 1 2 252.264 1.857 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cc(F)ccc1F ZINC000491746765 332324325 /nfs/dbraw/zinc/32/43/25/332324325.db2.gz QUGGAUXWDFXVFM-VIFPVBQESA-N 1 2 252.264 1.857 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N(C)c1ccccc1C(=O)OC ZINC000491749626 332326345 /nfs/dbraw/zinc/32/63/45/332326345.db2.gz GRIVIFOTKWSDAS-GFCCVEGCSA-N 1 2 288.347 1.390 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N(C)c1ccccc1C(=O)OC ZINC000491749626 332326346 /nfs/dbraw/zinc/32/63/46/332326346.db2.gz GRIVIFOTKWSDAS-GFCCVEGCSA-N 1 2 288.347 1.390 20 30 CDEDLO CCc1[nH+]c2ccccc2n1CC(=O)NC1(C#N)CC1 ZINC000172355884 335102586 /nfs/dbraw/zinc/10/25/86/335102586.db2.gz GDYHCNXBDPVLPD-UHFFFAOYSA-N 1 2 268.320 1.771 20 30 CDEDLO CCn1cc[nH+]c1/C=C/C(=O)N(CCC#N)CCC#N ZINC000492302088 332391404 /nfs/dbraw/zinc/39/14/04/332391404.db2.gz XMYQDPZORBREQU-AATRIKPKSA-N 1 2 271.324 1.572 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)/C=C/c1[nH+]ccn1CC ZINC000492385240 332395162 /nfs/dbraw/zinc/39/51/62/332395162.db2.gz RFIXGFVUBXXIBM-NNNHXZLVSA-N 1 2 263.341 1.217 20 30 CDEDLO CCn1cc[nH+]c1/C=C\C(=O)NCC(C)(C)CC#N ZINC000493223175 332431112 /nfs/dbraw/zinc/43/11/12/332431112.db2.gz CBCFTMYEVXSGAG-WAYWQWQTSA-N 1 2 260.341 1.972 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1ccccc1 ZINC000493717665 332451029 /nfs/dbraw/zinc/45/10/29/332451029.db2.gz GDRUMDNFYNYHOQ-BOLDSZDNSA-N 1 2 257.337 1.660 20 30 CDEDLO CN(C)C(=O)OC1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000497117813 332570521 /nfs/dbraw/zinc/57/05/21/332570521.db2.gz QIQMAMLSUWVROK-GFCCVEGCSA-N 1 2 278.356 1.593 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000193484405 333251110 /nfs/dbraw/zinc/25/11/10/333251110.db2.gz UHGGOKLDRAUBDC-GFCCVEGCSA-N 1 2 270.336 1.885 20 30 CDEDLO COC[C@H](C)OC[C@H](O)C[N@H+](CC#N)C1CCCC1 ZINC000234810306 333362358 /nfs/dbraw/zinc/36/23/58/333362358.db2.gz ILQCHXXPCVJIFF-GXTWGEPZSA-N 1 2 270.373 1.167 20 30 CDEDLO COC[C@H](C)OC[C@H](O)C[N@@H+](CC#N)C1CCCC1 ZINC000234810306 333362360 /nfs/dbraw/zinc/36/23/60/333362360.db2.gz ILQCHXXPCVJIFF-GXTWGEPZSA-N 1 2 270.373 1.167 20 30 CDEDLO CCC(C#N)(CC)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000529074433 333471775 /nfs/dbraw/zinc/47/17/75/333471775.db2.gz RIYXVQLVRJUXQY-LLVKDONJSA-N 1 2 260.341 1.644 20 30 CDEDLO N#CCC[N@@H+](Cc1cc(=O)n2ccccc2n1)CC1CC1 ZINC000081044667 334177020 /nfs/dbraw/zinc/17/70/20/334177020.db2.gz NQICCXDLHQJEQU-UHFFFAOYSA-N 1 2 282.347 1.820 20 30 CDEDLO N#CCC[N@H+](Cc1cc(=O)n2ccccc2n1)CC1CC1 ZINC000081044667 334177021 /nfs/dbraw/zinc/17/70/21/334177021.db2.gz NQICCXDLHQJEQU-UHFFFAOYSA-N 1 2 282.347 1.820 20 30 CDEDLO CCC[C@H](C#N)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000549780097 334204685 /nfs/dbraw/zinc/20/46/85/334204685.db2.gz WCDNEJHZSRTZSE-LLVKDONJSA-N 1 2 256.309 1.685 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000556183673 334498982 /nfs/dbraw/zinc/49/89/82/334498982.db2.gz QAMLRWVWYBXKDJ-OLZOCXBDSA-N 1 2 271.320 1.542 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(Cl)cc1 ZINC000564870480 334525244 /nfs/dbraw/zinc/52/52/44/334525244.db2.gz AMZXOIMBAQKNQM-CYBMUJFWSA-N 1 2 265.744 1.914 20 30 CDEDLO C=CCCC1(C(=O)NCc2c[nH+]c(C)nc2N)CC1 ZINC000567956090 334778819 /nfs/dbraw/zinc/77/88/19/334778819.db2.gz FCZJWSKSKHLHQZ-UHFFFAOYSA-N 1 2 260.341 1.560 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cncs1 ZINC001029244798 1160187198 /nfs/dbraw/zinc/18/71/98/1160187198.db2.gz MDTNBJXAQXWMFN-SDDRHHMPSA-N 1 2 290.392 1.478 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cncs1 ZINC001029244798 1160187202 /nfs/dbraw/zinc/18/72/02/1160187202.db2.gz MDTNBJXAQXWMFN-SDDRHHMPSA-N 1 2 290.392 1.478 20 30 CDEDLO COCC#CC[NH2+][C@H](CO)c1c(F)cccc1F ZINC000679826205 483442489 /nfs/dbraw/zinc/44/24/89/483442489.db2.gz MCQMWHZJYPJWSE-GFCCVEGCSA-N 1 2 255.264 1.238 20 30 CDEDLO COCC#CC[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000680426736 483617752 /nfs/dbraw/zinc/61/77/52/483617752.db2.gz YMBWEJDLVCRKCU-JTQLQIEISA-N 1 2 251.330 1.668 20 30 CDEDLO CC(C)=CC[NH+]1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001030223033 1160994968 /nfs/dbraw/zinc/99/49/68/1160994968.db2.gz OREKJFLTIWTDBP-UHFFFAOYSA-N 1 2 258.325 1.267 20 30 CDEDLO CCC[C@@H](C)C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001753344225 1185163488 /nfs/dbraw/zinc/16/34/88/1185163488.db2.gz VYXFTNOCAPYGIZ-CQSZACIVSA-N 1 2 280.416 1.022 20 30 CDEDLO C[NH+](C)Cc1cccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 ZINC000155704041 521919421 /nfs/dbraw/zinc/91/94/21/521919421.db2.gz BNBNTQGQAYNVRK-UHFFFAOYSA-N 1 2 294.318 1.467 20 30 CDEDLO Cn1c(C[NH2+][C@H]2CCC[C@@H]2C#N)nc2ccccc2c1=O ZINC000332122477 534693291 /nfs/dbraw/zinc/69/32/91/534693291.db2.gz DZBWBLJRBDBULO-YPMHNXCESA-N 1 2 282.347 1.715 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)NCC(C)(C)CCC#N ZINC000352802285 534788365 /nfs/dbraw/zinc/78/83/65/534788365.db2.gz VTTREQFPMFDJHO-UHFFFAOYSA-N 1 2 263.345 1.549 20 30 CDEDLO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1nsc(N(C)C)n1 ZINC000330256822 526406304 /nfs/dbraw/zinc/40/63/04/526406304.db2.gz QHYAYCYYVKSRCO-BDAKNGLRSA-N 1 2 283.401 1.449 20 30 CDEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1c(F)cncc1F ZINC000353200105 526597868 /nfs/dbraw/zinc/59/78/68/526597868.db2.gz AUYRUJNEZKSODJ-MRVPVSSYSA-N 1 2 298.293 1.022 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000335843198 526677284 /nfs/dbraw/zinc/67/72/84/526677284.db2.gz LAKSRFKBCQGREU-SNVBAGLBSA-N 1 2 255.343 1.453 20 30 CDEDLO N#Cc1cccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000155906674 526721767 /nfs/dbraw/zinc/72/17/67/526721767.db2.gz IDLNAQCUCCMTRU-LBPRGKRZSA-N 1 2 266.304 1.956 20 30 CDEDLO CC(C)(C#N)CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000336450234 527474211 /nfs/dbraw/zinc/47/42/11/527474211.db2.gz YUEFJXIEFVJSAW-LLVKDONJSA-N 1 2 275.356 1.848 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000353627658 527529577 /nfs/dbraw/zinc/52/95/77/527529577.db2.gz ZHNTUQFEMJTRCW-CJNGLKHVSA-N 1 2 291.395 1.965 20 30 CDEDLO CCN1CCN(C(=O)[C@@](C)(C#N)CC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000354974911 529131788 /nfs/dbraw/zinc/13/17/88/529131788.db2.gz OJBNTYRBVLQFNG-IUODEOHRSA-N 1 2 289.383 1.555 20 30 CDEDLO O=C(CC1CC1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000328813739 538440389 /nfs/dbraw/zinc/44/03/89/538440389.db2.gz BUTLFXCVELLRKH-UHFFFAOYSA-N 1 2 289.383 1.355 20 30 CDEDLO O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@@H]1CC12CCCC2 ZINC000328832772 538441656 /nfs/dbraw/zinc/44/16/56/538441656.db2.gz VSHHJCJIRDVLDF-STQMWFEESA-N 1 2 282.384 1.216 20 30 CDEDLO O=C(CNC(=O)C1CC=CC1)NCC[NH+]1CCOCC1 ZINC000329560496 538583491 /nfs/dbraw/zinc/58/34/91/538583491.db2.gz IVGBMHIDLAZTME-UHFFFAOYSA-N 1 2 281.356 1.198 20 30 CDEDLO Cn1cc(C=NNc2cc[nH+]c3ccccc23)cn1 ZINC000730147192 574853709 /nfs/dbraw/zinc/85/37/09/574853709.db2.gz MKFDHPBAFQXRST-UHFFFAOYSA-N 1 2 251.293 1.836 20 30 CDEDLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NCCC#N)s1 ZINC000730265411 574906802 /nfs/dbraw/zinc/90/68/02/574906802.db2.gz UDYXNYJTBITPNO-JTQLQIEISA-N 1 2 280.397 1.783 20 30 CDEDLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NCCC#N)s1 ZINC000730265411 574906805 /nfs/dbraw/zinc/90/68/05/574906805.db2.gz UDYXNYJTBITPNO-JTQLQIEISA-N 1 2 280.397 1.783 20 30 CDEDLO C=C(Br)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000731870987 575067281 /nfs/dbraw/zinc/06/72/81/575067281.db2.gz BTYXFAZWZXYQNS-SECBINFHSA-N 1 2 261.163 1.496 20 30 CDEDLO C=C(Br)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000731870987 575067282 /nfs/dbraw/zinc/06/72/82/575067282.db2.gz BTYXFAZWZXYQNS-SECBINFHSA-N 1 2 261.163 1.496 20 30 CDEDLO C#CCC[NH+]1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000774529081 575212821 /nfs/dbraw/zinc/21/28/21/575212821.db2.gz NAMUOCGGPVIOQV-UHFFFAOYSA-N 1 2 265.338 1.802 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(O)c1F ZINC000762313888 576638397 /nfs/dbraw/zinc/63/83/97/576638397.db2.gz ZBMFCTRSHBTCRS-NSHDSACASA-N 1 2 262.284 1.567 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(O)c1F ZINC000762313888 576638398 /nfs/dbraw/zinc/63/83/98/576638398.db2.gz ZBMFCTRSHBTCRS-NSHDSACASA-N 1 2 262.284 1.567 20 30 CDEDLO C#CCOc1ccccc1C[NH+]1CCN(C(=O)NC)CC1 ZINC000769499967 575353205 /nfs/dbraw/zinc/35/32/05/575353205.db2.gz YDKWJVIYQKPDQF-UHFFFAOYSA-N 1 2 287.363 1.156 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000735507099 575474619 /nfs/dbraw/zinc/47/46/19/575474619.db2.gz ZFYQODXXPAKXNU-SECBINFHSA-N 1 2 274.303 1.597 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000735507099 575474623 /nfs/dbraw/zinc/47/46/23/575474623.db2.gz ZFYQODXXPAKXNU-SECBINFHSA-N 1 2 274.303 1.597 20 30 CDEDLO NC(=O)CO[NH+]=Cc1c(F)cccc1N1CCCC1 ZINC000771574651 575592057 /nfs/dbraw/zinc/59/20/57/575592057.db2.gz IUXKJBPGUAMPEK-UHFFFAOYSA-N 1 2 265.288 1.262 20 30 CDEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)c2nc(C)no2)cc1 ZINC000736299465 575615365 /nfs/dbraw/zinc/61/53/65/575615365.db2.gz NTBCSYOLMDLFHT-QMMMGPOBSA-N 1 2 276.296 1.785 20 30 CDEDLO N#CCOc1cccc(CC(=O)OCCn2cc[nH+]c2)c1 ZINC000772031037 575651765 /nfs/dbraw/zinc/65/17/65/575651765.db2.gz SSLMOSIPLNXMSX-UHFFFAOYSA-N 1 2 285.303 1.571 20 30 CDEDLO C#CCCCCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000773333894 575802147 /nfs/dbraw/zinc/80/21/47/575802147.db2.gz QBGVJLSUZATDMI-ZDUSSCGKSA-N 1 2 252.358 1.017 20 30 CDEDLO C#CCCCCC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000773333894 575802148 /nfs/dbraw/zinc/80/21/48/575802148.db2.gz QBGVJLSUZATDMI-ZDUSSCGKSA-N 1 2 252.358 1.017 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CC[C@H](C)SC)CC1 ZINC000773384250 575805908 /nfs/dbraw/zinc/80/59/08/575805908.db2.gz XIFAWVJRMSPYKQ-LBPRGKRZSA-N 1 2 254.399 1.296 20 30 CDEDLO Cn1c(N[NH+]=Cc2cccnc2N)nnc1-c1ccccc1 ZINC000764682380 575933682 /nfs/dbraw/zinc/93/36/82/575933682.db2.gz LTJVENAUVXNMBU-UHFFFAOYSA-N 1 2 293.334 1.905 20 30 CDEDLO C[N@H+](CC(F)F)C1CCN(c2cc(C#N)ncn2)CC1 ZINC000764849883 575951893 /nfs/dbraw/zinc/95/18/93/575951893.db2.gz ITXLQVUJUOAOHQ-UHFFFAOYSA-N 1 2 281.310 1.514 20 30 CDEDLO C[N@@H+](CC(F)F)C1CCN(c2cc(C#N)ncn2)CC1 ZINC000764849883 575951895 /nfs/dbraw/zinc/95/18/95/575951895.db2.gz ITXLQVUJUOAOHQ-UHFFFAOYSA-N 1 2 281.310 1.514 20 30 CDEDLO C#CCCOC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000765482153 576028263 /nfs/dbraw/zinc/02/82/63/576028263.db2.gz PKNYDFAITWYJQU-UHFFFAOYSA-N 1 2 273.332 1.699 20 30 CDEDLO C[C@H]1COCC[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766632216 576117540 /nfs/dbraw/zinc/11/75/40/576117540.db2.gz LIGVKPKXOJUBBK-GFCCVEGCSA-N 1 2 287.363 1.134 20 30 CDEDLO C[C@H]1COCC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766632216 576117541 /nfs/dbraw/zinc/11/75/41/576117541.db2.gz LIGVKPKXOJUBBK-GFCCVEGCSA-N 1 2 287.363 1.134 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2cnn3ccc(C)cc23)CC1 ZINC000766841654 576138970 /nfs/dbraw/zinc/13/89/70/576138970.db2.gz QVSXSHYXZBZCIT-UHFFFAOYSA-N 1 2 282.347 1.034 20 30 CDEDLO Cc1nnc(N2CC[NH+](Cc3cn[nH]c3)CC2)c(C#N)c1C ZINC000769216933 576338435 /nfs/dbraw/zinc/33/84/35/576338435.db2.gz FYKFSJRMWJVPAN-UHFFFAOYSA-N 1 2 297.366 1.010 20 30 CDEDLO C[S@](=O)CC[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000746477298 576778239 /nfs/dbraw/zinc/77/82/39/576778239.db2.gz ZMSZCNTVOMSZJP-FQEVSTJZSA-N 1 2 291.420 1.054 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CN2c3ccccc3C[C@H]2C)CC1 ZINC000746495995 576779287 /nfs/dbraw/zinc/77/92/87/576779287.db2.gz RLPVYRZZZWHDBU-OAHLLOKOSA-N 1 2 297.402 1.215 20 30 CDEDLO C#CC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000754052259 576875880 /nfs/dbraw/zinc/87/58/80/576875880.db2.gz QEYUOMDSDJGPNG-UHFFFAOYSA-N 1 2 253.305 1.523 20 30 CDEDLO CCCCNC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000749787541 576962135 /nfs/dbraw/zinc/96/21/35/576962135.db2.gz QQOJWDUIHAOJAH-SNVBAGLBSA-N 1 2 281.331 1.767 20 30 CDEDLO N#Cc1cccn(C[N@@H+]2CCc3ccccc3C2)c1=O ZINC000750608636 576997299 /nfs/dbraw/zinc/99/72/99/576997299.db2.gz ZZHFWPJOYNCORR-UHFFFAOYSA-N 1 2 265.316 1.736 20 30 CDEDLO N#Cc1cccn(C[N@H+]2CCc3ccccc3C2)c1=O ZINC000750608636 576997301 /nfs/dbraw/zinc/99/73/01/576997301.db2.gz ZZHFWPJOYNCORR-UHFFFAOYSA-N 1 2 265.316 1.736 20 30 CDEDLO COC[C@@H](C#N)OC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000751606242 577054491 /nfs/dbraw/zinc/05/44/91/577054491.db2.gz PVKPMHFGKOWFNW-OLZOCXBDSA-N 1 2 262.309 1.371 20 30 CDEDLO C=CCn1nnn(C[NH+]2C[C@@H](C)[C@H](C)C2)c1=S ZINC000751929640 577075152 /nfs/dbraw/zinc/07/51/52/577075152.db2.gz QTLSPKPEFJTFDC-NXEZZACHSA-N 1 2 253.375 1.540 20 30 CDEDLO CO[C@@H]1CCC[N@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000758218839 577083878 /nfs/dbraw/zinc/08/38/78/577083878.db2.gz DTCYFHWOWGUSTA-GFCCVEGCSA-N 1 2 261.325 1.097 20 30 CDEDLO CO[C@@H]1CCC[N@@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000758218839 577083881 /nfs/dbraw/zinc/08/38/81/577083881.db2.gz DTCYFHWOWGUSTA-GFCCVEGCSA-N 1 2 261.325 1.097 20 30 CDEDLO N#CCc1ccc(C(=O)OCC[NH+]2CCOCC2)cc1 ZINC000758695129 577126491 /nfs/dbraw/zinc/12/64/91/577126491.db2.gz BMIIBEBAUBYMBZ-UHFFFAOYSA-N 1 2 274.320 1.242 20 30 CDEDLO CC1(CC/[NH+]=C/c2cccc(O)c2O)OCCO1 ZINC000758815960 577133991 /nfs/dbraw/zinc/13/39/91/577133991.db2.gz NCIGREVVHHHELZ-NTEUORMPSA-N 1 2 251.282 1.670 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000820220866 607087033 /nfs/dbraw/zinc/08/70/33/607087033.db2.gz YMQIGDAMHMGCBL-VIFPVBQESA-N 1 2 274.303 1.740 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000820220866 607087035 /nfs/dbraw/zinc/08/70/35/607087035.db2.gz YMQIGDAMHMGCBL-VIFPVBQESA-N 1 2 274.303 1.740 20 30 CDEDLO C=C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C(=O)[O-] ZINC001602815641 1175414386 /nfs/dbraw/zinc/41/43/86/1175414386.db2.gz BMOPQBQUNUTGMP-IUODEOHRSA-N 1 2 289.379 1.836 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ncccc2F)C1 ZINC000957038147 612993290 /nfs/dbraw/zinc/99/32/90/612993290.db2.gz DBOXYLCQEIHCOR-UHFFFAOYSA-N 1 2 275.327 1.390 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CC(C)C)CC2)C1 ZINC000949282651 613210427 /nfs/dbraw/zinc/21/04/27/613210427.db2.gz RXRYEYWFFORZMS-UHFFFAOYSA-N 1 2 278.396 1.359 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CC(C)C)CC2)C1 ZINC000949282651 613210428 /nfs/dbraw/zinc/21/04/28/613210428.db2.gz RXRYEYWFFORZMS-UHFFFAOYSA-N 1 2 278.396 1.359 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CCCC3)C2)C1 ZINC000972209723 613212432 /nfs/dbraw/zinc/21/24/32/613212432.db2.gz APQHIOVRKMPKAY-MRXNPFEDSA-N 1 2 276.380 1.113 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CCCC3)C2)C1 ZINC000972209723 613212433 /nfs/dbraw/zinc/21/24/33/613212433.db2.gz APQHIOVRKMPKAY-MRXNPFEDSA-N 1 2 276.380 1.113 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2scnc2CC)C1 ZINC000966597393 613217328 /nfs/dbraw/zinc/21/73/28/613217328.db2.gz IRJKTAHHTOEGRJ-YPMHNXCESA-N 1 2 291.420 1.779 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2scnc2CC)C1 ZINC000966597393 613217330 /nfs/dbraw/zinc/21/73/30/613217330.db2.gz IRJKTAHHTOEGRJ-YPMHNXCESA-N 1 2 291.420 1.779 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccns2)C(C)(C)C1 ZINC000974648062 613284543 /nfs/dbraw/zinc/28/45/43/613284543.db2.gz VFEKVVSYRCXYFE-LLVKDONJSA-N 1 2 263.366 1.217 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccns2)C(C)(C)C1 ZINC000974648062 613284545 /nfs/dbraw/zinc/28/45/45/613284545.db2.gz VFEKVVSYRCXYFE-LLVKDONJSA-N 1 2 263.366 1.217 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cn(C(C)C)nn2)C1 ZINC000957053620 613296953 /nfs/dbraw/zinc/29/69/53/613296953.db2.gz OHMHZNFUUSPWRM-UHFFFAOYSA-N 1 2 291.399 1.581 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ncc3ccccn32)CC1 ZINC000949283541 613322109 /nfs/dbraw/zinc/32/21/09/613322109.db2.gz AVYQZSLXFINYQA-UHFFFAOYSA-N 1 2 284.363 1.668 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC000971124509 613370487 /nfs/dbraw/zinc/37/04/87/613370487.db2.gz CJMSJTOPCOUZDK-JTQLQIEISA-N 1 2 268.748 1.309 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC000971124509 613370488 /nfs/dbraw/zinc/37/04/88/613370488.db2.gz CJMSJTOPCOUZDK-JTQLQIEISA-N 1 2 268.748 1.309 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC000971124509 613370489 /nfs/dbraw/zinc/37/04/89/613370489.db2.gz CJMSJTOPCOUZDK-JTQLQIEISA-N 1 2 268.748 1.309 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC000971124509 613370490 /nfs/dbraw/zinc/37/04/90/613370490.db2.gz CJMSJTOPCOUZDK-JTQLQIEISA-N 1 2 268.748 1.309 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cscn2)C1 ZINC000969371269 613372028 /nfs/dbraw/zinc/37/20/28/613372028.db2.gz QNQAHJRSZVLSBY-SECBINFHSA-N 1 2 285.800 1.946 20 30 CDEDLO C=C(Cl)CN1CC[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968698749 613375744 /nfs/dbraw/zinc/37/57/44/613375744.db2.gz RMYMJTZJTLERBU-DGCLKSJQSA-N 1 2 296.802 1.462 20 30 CDEDLO C=CCn1cc(C(=O)N(CC)C2C[NH+](CC(=C)C)C2)nn1 ZINC000952422712 613425154 /nfs/dbraw/zinc/42/51/54/613425154.db2.gz KCFGLMHLWPJXJJ-UHFFFAOYSA-N 1 2 289.383 1.187 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC000950051790 613473620 /nfs/dbraw/zinc/47/36/20/613473620.db2.gz VEJUVXNJYSWISJ-INIZCTEOSA-N 1 2 290.411 1.630 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]ncc2F)C[C@@H]1C ZINC000947697092 613589315 /nfs/dbraw/zinc/58/93/15/613589315.db2.gz AWSJHTFGGZXFPP-WDEREUQCSA-N 1 2 278.331 1.155 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2[nH]ncc2F)C[C@@H]1C ZINC000947697092 613589316 /nfs/dbraw/zinc/58/93/16/613589316.db2.gz AWSJHTFGGZXFPP-WDEREUQCSA-N 1 2 278.331 1.155 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCO[C@H](C)C2)C1 ZINC000957046811 613655297 /nfs/dbraw/zinc/65/52/97/613655297.db2.gz ZBIRNGXQXQNCCC-OLZOCXBDSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2CCC[C@H](OC)C2)CC1 ZINC000948689823 613709506 /nfs/dbraw/zinc/70/95/06/613709506.db2.gz CJFGLSYRKUMVTK-GJZGRUSLSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]nc2C2CC2)CC1 ZINC000957038465 613714732 /nfs/dbraw/zinc/71/47/32/613714732.db2.gz CYVOEBNUFGLKFU-UHFFFAOYSA-N 1 2 260.341 1.231 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C)cc2OC)CC1 ZINC000957395932 613715644 /nfs/dbraw/zinc/71/56/44/613715644.db2.gz IJWXERQMSIIEIA-UHFFFAOYSA-N 1 2 274.364 1.947 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc3nccn32)CC1 ZINC000949274433 613717015 /nfs/dbraw/zinc/71/70/15/613717015.db2.gz JXCGGAYGXRAPBL-UHFFFAOYSA-N 1 2 270.336 1.278 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccn(C)c2CC)CC1 ZINC000950505880 613717590 /nfs/dbraw/zinc/71/75/90/613717590.db2.gz NKNKWHCKXBMOKO-UHFFFAOYSA-N 1 2 261.369 1.531 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc3cc(C)nn3c2C)CC1 ZINC000949560775 613718342 /nfs/dbraw/zinc/71/83/42/613718342.db2.gz SDNJYTVDRSKRCI-UHFFFAOYSA-N 1 2 299.378 1.290 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933398256 617415626 /nfs/dbraw/zinc/41/56/26/617415626.db2.gz AIYFHOQHOBKSNT-LLVKDONJSA-N 1 2 288.351 1.170 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933398256 617415629 /nfs/dbraw/zinc/41/56/29/617415629.db2.gz AIYFHOQHOBKSNT-LLVKDONJSA-N 1 2 288.351 1.170 20 30 CDEDLO C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC000965620532 613737110 /nfs/dbraw/zinc/73/71/10/613737110.db2.gz CRUKYNDVKBACAE-ZWNOBZJWSA-N 1 2 276.384 1.653 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC000965620532 613737112 /nfs/dbraw/zinc/73/71/12/613737112.db2.gz CRUKYNDVKBACAE-ZWNOBZJWSA-N 1 2 276.384 1.653 20 30 CDEDLO CNc1cc(N2CCN(c3cc(C#N)ccn3)CC2)nc[nH+]1 ZINC000891679485 617535566 /nfs/dbraw/zinc/53/55/66/617535566.db2.gz YWNLBTRARBIOCV-UHFFFAOYSA-N 1 2 295.350 1.112 20 30 CDEDLO CNc1cc(N2CCN(c3cc(C#N)ccn3)CC2)[nH+]cn1 ZINC000891679485 617535569 /nfs/dbraw/zinc/53/55/69/617535569.db2.gz YWNLBTRARBIOCV-UHFFFAOYSA-N 1 2 295.350 1.112 20 30 CDEDLO CCc1cnc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC000971218523 615705616 /nfs/dbraw/zinc/70/56/16/615705616.db2.gz OFHGTRGIYWZOMO-RYUDHWBXSA-N 1 2 290.367 1.429 20 30 CDEDLO CCc1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC000971218523 615705617 /nfs/dbraw/zinc/70/56/17/615705617.db2.gz OFHGTRGIYWZOMO-RYUDHWBXSA-N 1 2 290.367 1.429 20 30 CDEDLO CCc1cnc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C)C#N)C2)o1 ZINC000967941947 615708210 /nfs/dbraw/zinc/70/82/10/615708210.db2.gz BBMRJDWHPCANAL-GHMZBOCLSA-N 1 2 276.340 1.087 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cc(N(C)C)nc[nH+]1 ZINC000893660084 617809211 /nfs/dbraw/zinc/80/92/11/617809211.db2.gz TUWYBTMDTMFTOP-BXUZGUMPSA-N 1 2 262.357 1.936 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cc(N(C)C)[nH+]cn1 ZINC000893660084 617809214 /nfs/dbraw/zinc/80/92/14/617809214.db2.gz TUWYBTMDTMFTOP-BXUZGUMPSA-N 1 2 262.357 1.936 20 30 CDEDLO C#CC[C@H]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000888143830 620768634 /nfs/dbraw/zinc/76/86/34/620768634.db2.gz JRONGOSSIAVPPR-AWEZNQCLSA-N 1 2 293.411 1.152 20 30 CDEDLO C#CC[C@H]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000888143830 620768639 /nfs/dbraw/zinc/76/86/39/620768639.db2.gz JRONGOSSIAVPPR-AWEZNQCLSA-N 1 2 293.411 1.152 20 30 CDEDLO COC(=O)[C@H]1[C@H](C[N@H+](CCC#N)CC2CC2)C1(F)F ZINC000894003963 618243354 /nfs/dbraw/zinc/24/33/54/618243354.db2.gz UZPZFVNUJAZGGP-WDEREUQCSA-N 1 2 272.295 1.666 20 30 CDEDLO COC(=O)[C@H]1[C@H](C[N@@H+](CCC#N)CC2CC2)C1(F)F ZINC000894003963 618243356 /nfs/dbraw/zinc/24/33/56/618243356.db2.gz UZPZFVNUJAZGGP-WDEREUQCSA-N 1 2 272.295 1.666 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(F)c(C)c2)C1=O ZINC000894230208 618739373 /nfs/dbraw/zinc/73/93/73/618739373.db2.gz BQMKNVSPNBVFQM-ZDUSSCGKSA-N 1 2 277.343 1.748 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(F)c(C)c2)C1=O ZINC000894230208 618739375 /nfs/dbraw/zinc/73/93/75/618739375.db2.gz BQMKNVSPNBVFQM-ZDUSSCGKSA-N 1 2 277.343 1.748 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OC)o2)C1=O ZINC000894231376 618740155 /nfs/dbraw/zinc/74/01/55/618740155.db2.gz ORRIBRHXIIGLHX-GFCCVEGCSA-N 1 2 264.325 1.507 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(OC)o2)C1=O ZINC000894231376 618740156 /nfs/dbraw/zinc/74/01/56/618740156.db2.gz ORRIBRHXIIGLHX-GFCCVEGCSA-N 1 2 264.325 1.507 20 30 CDEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCCCCC#N)[nH]n1 ZINC000896164796 620012963 /nfs/dbraw/zinc/01/29/63/620012963.db2.gz JOHIMRARJTTZJF-ZDUSSCGKSA-N 1 2 275.356 1.600 20 30 CDEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCCCCC#N)[nH]n1 ZINC000896164796 620012964 /nfs/dbraw/zinc/01/29/64/620012964.db2.gz JOHIMRARJTTZJF-ZDUSSCGKSA-N 1 2 275.356 1.600 20 30 CDEDLO Cc1[nH]nc(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)c1C#N ZINC000897554610 620988352 /nfs/dbraw/zinc/98/83/52/620988352.db2.gz FQOSCJYYJGPZNF-SNVBAGLBSA-N 1 2 261.329 1.401 20 30 CDEDLO Cc1[nH]nc(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)c1C#N ZINC000897554610 620988356 /nfs/dbraw/zinc/98/83/56/620988356.db2.gz FQOSCJYYJGPZNF-SNVBAGLBSA-N 1 2 261.329 1.401 20 30 CDEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)c1 ZINC000898503558 621779118 /nfs/dbraw/zinc/77/91/18/621779118.db2.gz VOHPBZFJJAFZEM-CQSZACIVSA-N 1 2 275.327 1.227 20 30 CDEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)c1 ZINC000898503558 621779122 /nfs/dbraw/zinc/77/91/22/621779122.db2.gz VOHPBZFJJAFZEM-CQSZACIVSA-N 1 2 275.327 1.227 20 30 CDEDLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1cccc(C#N)n1 ZINC000898547150 621787825 /nfs/dbraw/zinc/78/78/25/621787825.db2.gz BKTLREZDLMYUOI-CYBMUJFWSA-N 1 2 258.325 1.054 20 30 CDEDLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000898547150 621787828 /nfs/dbraw/zinc/78/78/28/621787828.db2.gz BKTLREZDLMYUOI-CYBMUJFWSA-N 1 2 258.325 1.054 20 30 CDEDLO Nc1ccc(/C=C2\S/C(=N/C3CC3)NC2=O)c[nH+]1 ZINC000899386581 622222566 /nfs/dbraw/zinc/22/25/66/622222566.db2.gz OSRVRMUORCRWGG-UITAMQMPSA-N 1 2 260.322 1.386 20 30 CDEDLO Cc1[nH]c(/C=C2/CCc3c(cnn3C)C2=O)[nH+]c1C ZINC000901458058 624276186 /nfs/dbraw/zinc/27/61/86/624276186.db2.gz XETNXQZNLBCGCD-POHAHGRESA-N 1 2 256.309 1.973 20 30 CDEDLO C/N=C1/NC(=O)/C(=C\c2c[nH+]cn2C(C)C)S1 ZINC000901541191 624326958 /nfs/dbraw/zinc/32/69/58/624326958.db2.gz QEEJWWYZQBRSRI-RUDMXATFSA-N 1 2 250.327 1.654 20 30 CDEDLO C[C@H](C#N)OCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000801915788 624875069 /nfs/dbraw/zinc/87/50/69/624875069.db2.gz UULCOLUNCCAMMB-HIFRSBDPSA-N 1 2 260.337 1.989 20 30 CDEDLO C[C@H](C#N)OCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000801915788 624875070 /nfs/dbraw/zinc/87/50/70/624875070.db2.gz UULCOLUNCCAMMB-HIFRSBDPSA-N 1 2 260.337 1.989 20 30 CDEDLO C[N@@H+]1CCO[C@H](C(=O)N(O)Cc2ccccc2Cl)C1 ZINC000904188941 626214906 /nfs/dbraw/zinc/21/49/06/626214906.db2.gz TYQYQGOSCZYGPK-LBPRGKRZSA-N 1 2 284.743 1.388 20 30 CDEDLO C[N@H+]1CCO[C@H](C(=O)N(O)Cc2ccccc2Cl)C1 ZINC000904188941 626214909 /nfs/dbraw/zinc/21/49/09/626214909.db2.gz TYQYQGOSCZYGPK-LBPRGKRZSA-N 1 2 284.743 1.388 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000905722535 626946710 /nfs/dbraw/zinc/94/67/10/626946710.db2.gz JEHRMDIYGVMSNI-IINYFYTJSA-N 1 2 274.320 1.554 20 30 CDEDLO N#C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000905722535 626946712 /nfs/dbraw/zinc/94/67/12/626946712.db2.gz JEHRMDIYGVMSNI-IINYFYTJSA-N 1 2 274.320 1.554 20 30 CDEDLO C[C@]1(C#N)CCCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000907333357 627600138 /nfs/dbraw/zinc/60/01/38/627600138.db2.gz AQHPKUUCCIYTCN-CQSZACIVSA-N 1 2 258.325 1.646 20 30 CDEDLO C=CCN(C)C(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000907517176 627711383 /nfs/dbraw/zinc/71/13/83/627711383.db2.gz AVNYLGPJBBNUOD-UHFFFAOYSA-N 1 2 277.368 1.078 20 30 CDEDLO C#C[C@H]([NH2+][C@H](C)c1cc2n(n1)CCC2)[C@@H]1CCCO1 ZINC000840745330 630686632 /nfs/dbraw/zinc/68/66/32/630686632.db2.gz DNQVIOLCLFRHGQ-ZLDLUXBVSA-N 1 2 259.353 1.661 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCn3c[nH+]cc3C2)c(F)c1 ZINC001417888383 1158823848 /nfs/dbraw/zinc/82/38/48/1158823848.db2.gz QFGAWJGCNBZHBT-UHFFFAOYSA-N 1 2 270.267 1.550 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CCC1CCCCC1 ZINC000884117469 695827843 /nfs/dbraw/zinc/82/78/43/695827843.db2.gz BQUGWSPSLWFWRS-AWEZNQCLSA-N 1 2 296.411 1.862 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)c1nc(C)cs1 ZINC000884148178 695183117 /nfs/dbraw/zinc/18/31/17/695183117.db2.gz DBPKKQRKBQYDLG-JTQLQIEISA-N 1 2 297.380 1.251 20 30 CDEDLO C[C@@H]1C(=O)NCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000110515827 695245194 /nfs/dbraw/zinc/24/51/94/695245194.db2.gz CTNMQTJIPJKQHA-GFCCVEGCSA-N 1 2 273.336 1.147 20 30 CDEDLO C[C@@H]1C(=O)NCC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000110515827 695245203 /nfs/dbraw/zinc/24/52/03/695245203.db2.gz CTNMQTJIPJKQHA-GFCCVEGCSA-N 1 2 273.336 1.147 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cnccn1 ZINC001024310099 695247567 /nfs/dbraw/zinc/24/75/67/695247567.db2.gz HAXAQKVFKRAQCR-LBPRGKRZSA-N 1 2 294.786 1.813 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cnccn1 ZINC001024310099 695247572 /nfs/dbraw/zinc/24/75/72/695247572.db2.gz HAXAQKVFKRAQCR-LBPRGKRZSA-N 1 2 294.786 1.813 20 30 CDEDLO N#CCOc1cccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000822400419 695278110 /nfs/dbraw/zinc/27/81/10/695278110.db2.gz IFJIMLCNKPGOBV-GFCCVEGCSA-N 1 2 296.330 1.987 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(CO)o3)CC2)cn1 ZINC000862422437 695286153 /nfs/dbraw/zinc/28/61/53/695286153.db2.gz ZTTOXQLYDXVEEJ-UHFFFAOYSA-N 1 2 298.346 1.361 20 30 CDEDLO C#CCC[C@@H](O)CNc1cc(NCC2CC2)[nH+]cn1 ZINC000798420635 695291022 /nfs/dbraw/zinc/29/10/22/695291022.db2.gz BLZHMOKGOFTTQX-GFCCVEGCSA-N 1 2 260.341 1.485 20 30 CDEDLO C#CCC[C@@H](O)CNc1cc(NCC2CC2)nc[nH+]1 ZINC000798420635 695291025 /nfs/dbraw/zinc/29/10/25/695291025.db2.gz BLZHMOKGOFTTQX-GFCCVEGCSA-N 1 2 260.341 1.485 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn(CC)c2C)C1 ZINC001031136253 695293820 /nfs/dbraw/zinc/29/38/20/695293820.db2.gz OMKQGOIOEUSWOU-UHFFFAOYSA-N 1 2 262.357 1.202 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1CCC(F)CC1 ZINC001038671923 695304483 /nfs/dbraw/zinc/30/44/83/695304483.db2.gz SWSGXJOYGKWAGQ-BPCQOVAHSA-N 1 2 252.333 1.338 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1CCC(F)CC1 ZINC001038671923 695304485 /nfs/dbraw/zinc/30/44/85/695304485.db2.gz SWSGXJOYGKWAGQ-BPCQOVAHSA-N 1 2 252.333 1.338 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)n(C)c1C ZINC001039011975 695304950 /nfs/dbraw/zinc/30/49/50/695304950.db2.gz ISTGRUZADDOBES-ZDUSSCGKSA-N 1 2 259.353 1.079 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)n(C)c1C ZINC001039011975 695304954 /nfs/dbraw/zinc/30/49/54/695304954.db2.gz ISTGRUZADDOBES-ZDUSSCGKSA-N 1 2 259.353 1.079 20 30 CDEDLO C#CC[N@H+](Cc1nc2ccccc2c(=O)n1C)C(C)C ZINC000932396335 695306834 /nfs/dbraw/zinc/30/68/34/695306834.db2.gz POQLCOVLGVCILQ-UHFFFAOYSA-N 1 2 269.348 1.777 20 30 CDEDLO C#CC[N@@H+](Cc1nc2ccccc2c(=O)n1C)C(C)C ZINC000932396335 695306837 /nfs/dbraw/zinc/30/68/37/695306837.db2.gz POQLCOVLGVCILQ-UHFFFAOYSA-N 1 2 269.348 1.777 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c2ccccc2nn1C ZINC001032714458 695332735 /nfs/dbraw/zinc/33/27/35/695332735.db2.gz FTSKRBLOLNTNAJ-STQMWFEESA-N 1 2 294.358 1.105 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c2ccccc2nn1C ZINC001032714458 695332737 /nfs/dbraw/zinc/33/27/37/695332737.db2.gz FTSKRBLOLNTNAJ-STQMWFEESA-N 1 2 294.358 1.105 20 30 CDEDLO CC(F)(F)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001009851681 695348521 /nfs/dbraw/zinc/34/85/21/695348521.db2.gz WWDUGCJXRHYHCA-VIFPVBQESA-N 1 2 299.346 1.965 20 30 CDEDLO CC(F)(F)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001009851681 695348524 /nfs/dbraw/zinc/34/85/24/695348524.db2.gz WWDUGCJXRHYHCA-VIFPVBQESA-N 1 2 299.346 1.965 20 30 CDEDLO C[C@H]1C[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031521588 695366378 /nfs/dbraw/zinc/36/63/78/695366378.db2.gz GXQFSNHGBDYZAC-LRDDRELGSA-N 1 2 283.375 1.762 20 30 CDEDLO Cc1nc(C(C)(C)[NH2+]C[C@@H](O)CC2(C#N)CCC2)no1 ZINC000886064082 695392732 /nfs/dbraw/zinc/39/27/32/695392732.db2.gz AMQHDISMKKPUOT-NSHDSACASA-N 1 2 278.356 1.648 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)C1(C#N)CC(C)C1 ZINC000928644520 695433564 /nfs/dbraw/zinc/43/35/64/695433564.db2.gz ZOFTVSOVUDKIIK-OWYJLGKBSA-N 1 2 279.384 1.153 20 30 CDEDLO C=C(C)CN(CC)C(=O)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845275170 695456287 /nfs/dbraw/zinc/45/62/87/695456287.db2.gz DMAKTZPSSRPXFM-ZDUSSCGKSA-N 1 2 293.367 1.802 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccnc(OCC)c2)C1 ZINC001030931207 695465628 /nfs/dbraw/zinc/46/56/28/695465628.db2.gz XYLUKHMCHGDPEZ-UHFFFAOYSA-N 1 2 275.352 1.470 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1nc(C(C)C)oc1C ZINC001038255395 695469743 /nfs/dbraw/zinc/46/97/43/695469743.db2.gz OBAJKKMJTNPRKC-ZDUSSCGKSA-N 1 2 289.379 1.934 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1nc(C(C)C)oc1C ZINC001038255395 695469748 /nfs/dbraw/zinc/46/97/48/695469748.db2.gz OBAJKKMJTNPRKC-ZDUSSCGKSA-N 1 2 289.379 1.934 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccc(C)s2)C1 ZINC001044333631 695473330 /nfs/dbraw/zinc/47/33/30/695473330.db2.gz YDGUDLABDQAYPZ-UHFFFAOYSA-N 1 2 264.394 1.928 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2c[nH]c(=O)cc2C)C1 ZINC001043827623 695481251 /nfs/dbraw/zinc/48/12/51/695481251.db2.gz YMNLOPGZHNMPPA-UHFFFAOYSA-N 1 2 261.325 1.038 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2cccnc2C1 ZINC001032754940 695504206 /nfs/dbraw/zinc/50/42/06/695504206.db2.gz WELZYMRUTDZFOC-PMPSAXMXSA-N 1 2 295.386 1.105 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2cccnc2C1 ZINC001032754940 695504210 /nfs/dbraw/zinc/50/42/10/695504210.db2.gz WELZYMRUTDZFOC-PMPSAXMXSA-N 1 2 295.386 1.105 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000821970112 695520694 /nfs/dbraw/zinc/52/06/94/695520694.db2.gz GAKWMXZBYQFLBN-NSHDSACASA-N 1 2 259.309 1.620 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)cc(F)c1 ZINC001032769065 695529157 /nfs/dbraw/zinc/52/91/57/695529157.db2.gz WQIJGNTYOXTQDO-GJZGRUSLSA-N 1 2 290.313 1.887 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)cc(F)c1 ZINC001032769065 695529164 /nfs/dbraw/zinc/52/91/64/695529164.db2.gz WQIJGNTYOXTQDO-GJZGRUSLSA-N 1 2 290.313 1.887 20 30 CDEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCn3cccc3C2)cc1 ZINC000932530541 695566855 /nfs/dbraw/zinc/56/68/55/695566855.db2.gz JUBWXOMSYNJWHQ-MRXNPFEDSA-N 1 2 297.358 1.615 20 30 CDEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCn3cccc3C2)cc1 ZINC000932530541 695566868 /nfs/dbraw/zinc/56/68/68/695566868.db2.gz JUBWXOMSYNJWHQ-MRXNPFEDSA-N 1 2 297.358 1.615 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2[nH]nc(C)c2C)[C@H]1C ZINC000993143577 695588391 /nfs/dbraw/zinc/58/83/91/695588391.db2.gz UODVYGSAMDQLJQ-ZIAGYGMSSA-N 1 2 288.395 1.633 20 30 CDEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2[nH]nc(C)c2C)[C@H]1C ZINC000993143577 695588392 /nfs/dbraw/zinc/58/83/92/695588392.db2.gz UODVYGSAMDQLJQ-ZIAGYGMSSA-N 1 2 288.395 1.633 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc[nH]c1 ZINC001027896985 695601408 /nfs/dbraw/zinc/60/14/08/695601408.db2.gz CIXGXZYLIVHXIC-GFCCVEGCSA-N 1 2 267.760 1.961 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc[nH]c1 ZINC001027896985 695601419 /nfs/dbraw/zinc/60/14/19/695601419.db2.gz CIXGXZYLIVHXIC-GFCCVEGCSA-N 1 2 267.760 1.961 20 30 CDEDLO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccs1 ZINC001032696908 695608220 /nfs/dbraw/zinc/60/82/20/695608220.db2.gz KNRWAHWGFTZCFX-QWRGUYRKSA-N 1 2 261.350 1.065 20 30 CDEDLO C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccs1 ZINC001032696908 695608223 /nfs/dbraw/zinc/60/82/23/695608223.db2.gz KNRWAHWGFTZCFX-QWRGUYRKSA-N 1 2 261.350 1.065 20 30 CDEDLO CCCCCNC(=O)CO[NH+]=C(N)c1ccc(OC)cc1 ZINC000054230968 695629021 /nfs/dbraw/zinc/62/90/21/695629021.db2.gz HSCAUSSKSSYDGP-UHFFFAOYSA-N 1 2 293.367 1.639 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001038801699 695629758 /nfs/dbraw/zinc/62/97/58/695629758.db2.gz ODTJSEBZQBKACQ-IXDOHACOSA-N 1 2 282.387 1.922 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001038801699 695629763 /nfs/dbraw/zinc/62/97/63/695629763.db2.gz ODTJSEBZQBKACQ-IXDOHACOSA-N 1 2 282.387 1.922 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1nc(C)cs1 ZINC000884211261 695647490 /nfs/dbraw/zinc/64/74/90/695647490.db2.gz YLQIEKRVBBADDP-UWVGGRQHSA-N 1 2 297.380 1.075 20 30 CDEDLO Cn1c(C#N)ccc1C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000822725649 695652335 /nfs/dbraw/zinc/65/23/35/695652335.db2.gz HQRDZNMCTWZMJM-CQSZACIVSA-N 1 2 299.378 1.938 20 30 CDEDLO C#CC1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000834303687 695656756 /nfs/dbraw/zinc/65/67/56/695656756.db2.gz LUFZTHCBOXODKE-UHFFFAOYSA-N 1 2 296.330 1.145 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2ccncc2C#N)CC1 ZINC000886778608 695686241 /nfs/dbraw/zinc/68/62/41/695686241.db2.gz JQFKNSPUCPKNMY-UHFFFAOYSA-N 1 2 257.337 1.856 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C1CCC(C)CC1 ZINC000884058662 695691989 /nfs/dbraw/zinc/69/19/89/695691989.db2.gz QURCUUZZXOMRNH-BPCQOVAHSA-N 1 2 282.384 1.470 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)CC2CC(F)(F)C2)C1 ZINC001043123009 695706414 /nfs/dbraw/zinc/70/64/14/695706414.db2.gz ZFNODUHXPNUIQS-UHFFFAOYSA-N 1 2 258.312 1.750 20 30 CDEDLO COCCc1noc(CO[NH+]=C(N)Cc2ccccc2)n1 ZINC000122204221 695715218 /nfs/dbraw/zinc/71/52/18/695715218.db2.gz VKCWTEDZCUQUFZ-UHFFFAOYSA-N 1 2 290.323 1.290 20 30 CDEDLO C[C@H]1C[NH+]=C(NN=C2C(=O)Nc3c2c(Cl)ccc3F)N1 ZINC000779793069 695719857 /nfs/dbraw/zinc/71/98/57/695719857.db2.gz RAVAAFCPZPBZOF-YFKPBYRVSA-N 1 2 295.705 1.073 20 30 CDEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(F)F)C[C@@H]21 ZINC001074137424 695721470 /nfs/dbraw/zinc/72/14/70/695721470.db2.gz QTOVZLFUFVWHCB-WDEREUQCSA-N 1 2 274.311 1.129 20 30 CDEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(F)F)C[C@@H]21 ZINC001074137424 695721474 /nfs/dbraw/zinc/72/14/74/695721474.db2.gz QTOVZLFUFVWHCB-WDEREUQCSA-N 1 2 274.311 1.129 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cnc(CC(C)C)s2)C1 ZINC001016393102 695733948 /nfs/dbraw/zinc/73/39/48/695733948.db2.gz SYHKLJALMFXGOI-LBPRGKRZSA-N 1 2 291.420 1.779 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnc(CC(C)C)s2)C1 ZINC001016393102 695733953 /nfs/dbraw/zinc/73/39/53/695733953.db2.gz SYHKLJALMFXGOI-LBPRGKRZSA-N 1 2 291.420 1.779 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc[nH]3)[C@@H]2C1 ZINC001075538173 695797223 /nfs/dbraw/zinc/79/72/23/695797223.db2.gz GPCGYMNMCUDUHN-WCQYABFASA-N 1 2 279.771 1.914 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc[nH]3)[C@@H]2C1 ZINC001075538173 695797228 /nfs/dbraw/zinc/79/72/28/695797228.db2.gz GPCGYMNMCUDUHN-WCQYABFASA-N 1 2 279.771 1.914 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](N(CC)C(=O)c2cnns2)C1 ZINC001033767921 695822664 /nfs/dbraw/zinc/82/26/64/695822664.db2.gz WKPQNXIMEFRZLO-NSHDSACASA-N 1 2 278.381 1.098 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cnns2)C1 ZINC001033767921 695822665 /nfs/dbraw/zinc/82/26/65/695822665.db2.gz WKPQNXIMEFRZLO-NSHDSACASA-N 1 2 278.381 1.098 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC2(C1)CCCCC2 ZINC000884155667 695824421 /nfs/dbraw/zinc/82/44/21/695824421.db2.gz HUUZCFQEOZIRIU-ZDUSSCGKSA-N 1 2 294.395 1.616 20 30 CDEDLO C=C1CC(C)(C(=O)N2CC[C@H]([NH2+]Cc3nc(C)no3)C2)C1 ZINC001019353554 695827949 /nfs/dbraw/zinc/82/79/49/695827949.db2.gz QBHSUASYAQZWSS-LBPRGKRZSA-N 1 2 290.367 1.425 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCOC2(C[NH+](CCC)C2)C1 ZINC001053375121 695830873 /nfs/dbraw/zinc/83/08/73/695830873.db2.gz ZNXMLQOMXPBXCX-UHFFFAOYSA-N 1 2 266.385 1.522 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CCNc1ncc(C#N)cc1F ZINC000872772919 695836445 /nfs/dbraw/zinc/83/64/45/695836445.db2.gz CKJQPBVDOSVYGU-GFCCVEGCSA-N 1 2 278.331 1.615 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CCNc1ncc(C#N)cc1F ZINC000872772919 695836446 /nfs/dbraw/zinc/83/64/46/695836446.db2.gz CKJQPBVDOSVYGU-GFCCVEGCSA-N 1 2 278.331 1.615 20 30 CDEDLO Nc1ccc2c(n1)CCCC2=[NH+]NCC(F)(F)F ZINC000834969678 695837131 /nfs/dbraw/zinc/83/71/31/695837131.db2.gz PJDKCXNCHAKNOZ-UHFFFAOYSA-N 1 2 258.247 1.856 20 30 CDEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000932153637 695841105 /nfs/dbraw/zinc/84/11/05/695841105.db2.gz AMDIIIKSHQFDCN-JKSUJKDBSA-N 1 2 299.374 1.728 20 30 CDEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000932153637 695841106 /nfs/dbraw/zinc/84/11/06/695841106.db2.gz AMDIIIKSHQFDCN-JKSUJKDBSA-N 1 2 299.374 1.728 20 30 CDEDLO COC(=O)[C@H]([NH2+]CCO[C@@H](C)C#N)C1CCCCC1 ZINC000801941615 695842948 /nfs/dbraw/zinc/84/29/48/695842948.db2.gz RQXZPAHESQGCDQ-WCQYABFASA-N 1 2 268.357 1.627 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)c(F)c1 ZINC001032446526 695858287 /nfs/dbraw/zinc/85/82/87/695858287.db2.gz WMNSBRLTQCPTOY-STQMWFEESA-N 1 2 290.313 1.887 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)c(F)c1 ZINC001032446526 695858288 /nfs/dbraw/zinc/85/82/88/695858288.db2.gz WMNSBRLTQCPTOY-STQMWFEESA-N 1 2 290.313 1.887 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cc(C)n[nH]2)C1 ZINC001032999100 695858421 /nfs/dbraw/zinc/85/84/21/695858421.db2.gz IBPNVPHFRTWCQX-CYBMUJFWSA-N 1 2 296.802 1.546 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cc(C)n[nH]2)C1 ZINC001032999100 695858422 /nfs/dbraw/zinc/85/84/22/695858422.db2.gz IBPNVPHFRTWCQX-CYBMUJFWSA-N 1 2 296.802 1.546 20 30 CDEDLO COC(=O)c1cc(N[NH+]=Cc2cnc(N)nc2)ccc1C ZINC000793098557 695858672 /nfs/dbraw/zinc/85/86/72/695858672.db2.gz UIVCAJFUKAJYKT-UHFFFAOYSA-N 1 2 285.307 1.600 20 30 CDEDLO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794636965 695859388 /nfs/dbraw/zinc/85/93/88/695859388.db2.gz ROBOXZFISOAEJY-GHMZBOCLSA-N 1 2 295.412 1.210 20 30 CDEDLO C[C@@H](O)C[C@H]1CCC[N@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794636965 695859389 /nfs/dbraw/zinc/85/93/89/695859389.db2.gz ROBOXZFISOAEJY-GHMZBOCLSA-N 1 2 295.412 1.210 20 30 CDEDLO Cc1nc(CO[NH+]=C(N)Cc2cccnc2)cs1 ZINC000092914791 695860585 /nfs/dbraw/zinc/86/05/85/695860585.db2.gz YJQKBMWIKSDWMP-UHFFFAOYSA-N 1 2 262.338 1.878 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2sccc2F)C1 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ZINC001028007359 696197966 /nfs/dbraw/zinc/19/79/66/696197966.db2.gz IZEYYTMTUFIPQC-NSHDSACASA-N 1 2 292.408 1.318 20 30 CDEDLO COC1(OC)CCOC[C@H]1[NH2+]Cc1ccc(F)cc1C#N ZINC000931667071 696201754 /nfs/dbraw/zinc/20/17/54/696201754.db2.gz JVRHHVZUVLRQHQ-CQSZACIVSA-N 1 2 294.326 1.565 20 30 CDEDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cc(C#N)ccc1F ZINC001170340396 1162347910 /nfs/dbraw/zinc/34/79/10/1162347910.db2.gz VSHMCJZBSVHNRV-UHFFFAOYSA-N 1 2 260.272 1.398 20 30 CDEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCC(C)C)CC1 ZINC001131325731 1162862881 /nfs/dbraw/zinc/86/28/81/1162862881.db2.gz SSIBMKCRGHMIHK-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCC(C)C)CC1 ZINC001131325731 1162862888 /nfs/dbraw/zinc/86/28/88/1162862888.db2.gz SSIBMKCRGHMIHK-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@@H](C)CC)CC1 ZINC001131351191 1162874557 /nfs/dbraw/zinc/87/45/57/1162874557.db2.gz CEPQMYCOGOZVQP-AWEZNQCLSA-N 1 2 295.427 1.259 20 30 CDEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C[C@@H](C)CC)CC1 ZINC001131351191 1162874563 /nfs/dbraw/zinc/87/45/63/1162874563.db2.gz CEPQMYCOGOZVQP-AWEZNQCLSA-N 1 2 295.427 1.259 20 30 CDEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccncn2)CC1 ZINC001140346050 1158767231 /nfs/dbraw/zinc/76/72/31/1158767231.db2.gz NAKIALLGLZEVIP-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO C#CCOc1ccccc1NC(=O)NCc1c[nH+]cn1C ZINC000809890548 1163110512 /nfs/dbraw/zinc/11/05/12/1163110512.db2.gz DSFAGLLMBFRQCR-UHFFFAOYSA-N 1 2 284.319 1.754 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(COC)cc2)C1 ZINC001031373582 1161207951 /nfs/dbraw/zinc/20/79/51/1161207951.db2.gz XKPNXJZJGZJCRD-UHFFFAOYSA-N 1 2 274.364 1.823 20 30 CDEDLO Cc1cc(NC2(CNC(=O)[C@@H](C)C#N)CC2)nc(C2CC2)[nH+]1 ZINC001110087666 1162074327 /nfs/dbraw/zinc/07/43/27/1162074327.db2.gz HLJFRGVEQWYHQI-JTQLQIEISA-N 1 2 299.378 1.883 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@]2(C)CCO[C@@H]2C)CC1 ZINC001113136716 1162111761 /nfs/dbraw/zinc/11/17/61/1162111761.db2.gz GSGDFEIFCRGEFN-GDBMZVCRSA-N 1 2 296.411 1.148 20 30 CDEDLO C=CCC[C@@H](C)[NH+]1CCN(C(=O)C2=NC(=O)N(C)C2)CC1 ZINC001113297588 1162150871 /nfs/dbraw/zinc/15/08/71/1162150871.db2.gz HTTPLAJRAQWYFD-GFCCVEGCSA-N 1 2 292.383 1.238 20 30 CDEDLO C#CCOc1ccc(C[NH2+]Cc2nnc3n2CCOC3)cc1 ZINC000791008528 1162180620 /nfs/dbraw/zinc/18/06/20/1162180620.db2.gz YTTSGJWRTQEKEJ-UHFFFAOYSA-N 1 2 298.346 1.110 20 30 CDEDLO C#CCC[C@H](O)CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000810231521 1163185153 /nfs/dbraw/zinc/18/51/53/1163185153.db2.gz DSKDXFHUAXCLIX-LBPRGKRZSA-N 1 2 272.308 1.230 20 30 CDEDLO CC[C@H](O)CNN=C(C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000811654198 1163512027 /nfs/dbraw/zinc/51/20/27/1163512027.db2.gz UIKURXSUVZTMMD-HNNXBMFYSA-N 1 2 272.352 1.957 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171533813 1164288753 /nfs/dbraw/zinc/28/87/53/1164288753.db2.gz PZHFLVRDCWSIRG-MNOVXSKESA-N 1 2 295.308 1.759 20 30 CDEDLO N#Cc1c[nH]nc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC001630643413 1166219731 /nfs/dbraw/zinc/21/97/31/1166219731.db2.gz PDRXOIZATYIYGJ-UHFFFAOYSA-N 1 2 292.302 1.778 20 30 CDEDLO C[N@H+](Cc1ccc(-c2nn[nH]n2)c(F)c1)CC(C)(C)C#N ZINC001591133553 1173575612 /nfs/dbraw/zinc/57/56/12/1173575612.db2.gz IUBLBOPGVJTANF-UHFFFAOYSA-N 1 2 288.330 1.987 20 30 CDEDLO C[N@@H+](Cc1ccc(-c2nn[nH]n2)c(F)c1)CC(C)(C)C#N ZINC001591133553 1173575618 /nfs/dbraw/zinc/57/56/18/1173575618.db2.gz IUBLBOPGVJTANF-UHFFFAOYSA-N 1 2 288.330 1.987 20 30 CDEDLO Nc1ccc(C=CC(=O)c2ccc(-c3nn[nH]n3)cc2)c[nH+]1 ZINC001592758948 1173987623 /nfs/dbraw/zinc/98/76/23/1173987623.db2.gz FGYVJPCQGNTVQX-XFSBKJJWSA-N 1 2 292.302 1.740 20 30 CDEDLO C[Si](C)(C)c1ccc(CN2CC[NH2+]C[C@@H]2C#N)cc1 ZINC000235731960 1178241148 /nfs/dbraw/zinc/24/11/48/1178241148.db2.gz YUUGTBGCZGSCDH-AWEZNQCLSA-N 1 2 273.456 1.529 20 30 CDEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)CCCC1 ZINC001731378070 1182347660 /nfs/dbraw/zinc/34/76/60/1182347660.db2.gz GBILIXKGXWTIMU-QWHCGFSZSA-N 1 2 293.411 1.187 20 30 CDEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)CCCC1 ZINC001731378070 1182347666 /nfs/dbraw/zinc/34/76/66/1182347666.db2.gz GBILIXKGXWTIMU-QWHCGFSZSA-N 1 2 293.411 1.187 20 30 CDEDLO C=CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2nc(C)no2)C1 ZINC001752777594 1184909130 /nfs/dbraw/zinc/90/91/30/1184909130.db2.gz AKYBHYQFXANWQM-CYBMUJFWSA-N 1 2 292.383 1.672 20 30 CDEDLO C=CCCC(=O)NC[C@H]1CCC[N@H+](Cc2nc(C)no2)C1 ZINC001752777594 1184909136 /nfs/dbraw/zinc/90/91/36/1184909136.db2.gz AKYBHYQFXANWQM-CYBMUJFWSA-N 1 2 292.383 1.672 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C1(COC)CC1 ZINC001753057096 1185026550 /nfs/dbraw/zinc/02/65/50/1185026550.db2.gz OAAVHLDUDMGQNH-UHFFFAOYSA-N 1 2 260.765 1.214 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C1(COC)CC1 ZINC001753057096 1185026557 /nfs/dbraw/zinc/02/65/57/1185026557.db2.gz OAAVHLDUDMGQNH-UHFFFAOYSA-N 1 2 260.765 1.214 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@@H+](CC)Cc1cnnn1C ZINC001753090625 1185053287 /nfs/dbraw/zinc/05/32/87/1185053287.db2.gz WPABEZSLZOIYIG-UHFFFAOYSA-N 1 2 293.415 1.356 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@H+](CC)Cc1cnnn1C ZINC001753090625 1185053290 /nfs/dbraw/zinc/05/32/90/1185053290.db2.gz WPABEZSLZOIYIG-UHFFFAOYSA-N 1 2 293.415 1.356 20 30 CDEDLO C=CCC(C)(C)C(=O)N(CC)CC[NH2+]Cc1cnon1 ZINC001754068931 1185447579 /nfs/dbraw/zinc/44/75/79/1185447579.db2.gz FIIXMBQRPTVPMX-UHFFFAOYSA-N 1 2 280.372 1.610 20 30 CDEDLO C=CCOCC(=O)N[C@@H](C)C[N@H+](C)Cc1nc(C)oc1C ZINC001754306787 1185565747 /nfs/dbraw/zinc/56/57/47/1185565747.db2.gz RKEGXDIWVRUWFH-NSHDSACASA-N 1 2 295.383 1.431 20 30 CDEDLO C=CCOCC(=O)N[C@@H](C)C[N@@H+](C)Cc1nc(C)oc1C ZINC001754306787 1185565751 /nfs/dbraw/zinc/56/57/51/1185565751.db2.gz RKEGXDIWVRUWFH-NSHDSACASA-N 1 2 295.383 1.431 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1ccc[nH]1 ZINC001754332718 1185584517 /nfs/dbraw/zinc/58/45/17/1185584517.db2.gz GJIXMMNUKFURGO-NSHDSACASA-N 1 2 269.776 1.746 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1ccc[nH]1 ZINC001754332718 1185584524 /nfs/dbraw/zinc/58/45/24/1185584524.db2.gz GJIXMMNUKFURGO-NSHDSACASA-N 1 2 269.776 1.746 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)Cn1ccc2ccccc21 ZINC001754505498 1185648368 /nfs/dbraw/zinc/64/83/68/1185648368.db2.gz PHSUJCOIMWBTON-OAHLLOKOSA-N 1 2 281.359 1.465 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)Cn1ccc2ccccc21 ZINC001754505498 1185648369 /nfs/dbraw/zinc/64/83/69/1185648369.db2.gz PHSUJCOIMWBTON-OAHLLOKOSA-N 1 2 281.359 1.465 20 30 CDEDLO C=CCCC(=O)NCC1(O)C[NH+](Cc2ccccc2C)C1 ZINC001754765106 1185726420 /nfs/dbraw/zinc/72/64/20/1185726420.db2.gz XAKYXVFOVYTLRA-UHFFFAOYSA-N 1 2 288.391 1.624 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[C@H](C)OC)O2 ZINC001755052903 1185799965 /nfs/dbraw/zinc/79/99/65/1185799965.db2.gz KGGWEGNOEJROEK-KBPBESRZSA-N 1 2 296.411 1.337 20 30 CDEDLO C#CCOCCC(=O)NCc1ccc2c(c1)C[N@@H+](CC#C)C2 ZINC001755101290 1185814127 /nfs/dbraw/zinc/81/41/27/1185814127.db2.gz YOHJMTAISXORLQ-UHFFFAOYSA-N 1 2 296.370 1.292 20 30 CDEDLO C#CCOCCC(=O)NCc1ccc2c(c1)C[N@H+](CC#C)C2 ZINC001755101290 1185814132 /nfs/dbraw/zinc/81/41/32/1185814132.db2.gz YOHJMTAISXORLQ-UHFFFAOYSA-N 1 2 296.370 1.292 20 30 CDEDLO C#CCCCCC(=O)NC[C@H](C)[N@H+](C)Cc1ccn(C)n1 ZINC001755296027 1185898292 /nfs/dbraw/zinc/89/82/92/1185898292.db2.gz IGWVRHCCAUOYOE-AWEZNQCLSA-N 1 2 290.411 1.550 20 30 CDEDLO C#CCCCCC(=O)NC[C@H](C)[N@@H+](C)Cc1ccn(C)n1 ZINC001755296027 1185898295 /nfs/dbraw/zinc/89/82/95/1185898295.db2.gz IGWVRHCCAUOYOE-AWEZNQCLSA-N 1 2 290.411 1.550 20 30 CDEDLO C=CCCC(=O)N[C@@H](C)C1C[NH+](Cc2nocc2C)C1 ZINC001755375335 1185933933 /nfs/dbraw/zinc/93/39/33/1185933933.db2.gz OTMHUQJYQHOETJ-LBPRGKRZSA-N 1 2 277.368 1.886 20 30 CDEDLO CC(C)C#CC(=O)N1C[C@H]([NH2+]Cc2csnn2)C[C@@H]1C ZINC001755678812 1186034995 /nfs/dbraw/zinc/03/49/95/1186034995.db2.gz OWJZOMMJLNIATJ-NWDGAFQWSA-N 1 2 292.408 1.277 20 30 CDEDLO Cc1nnc(C[NH2+][C@H]2C[C@H](C)N(C(=O)C#CC(C)C)C2)o1 ZINC001755679615 1186035276 /nfs/dbraw/zinc/03/52/76/1186035276.db2.gz ZPQKAWVUVLCVIN-AAEUAGOBSA-N 1 2 290.367 1.116 20 30 CDEDLO COCC[NH+]1CCN(C(=O)c2ccc(C#N)cc2F)CC1 ZINC001772079067 1187049873 /nfs/dbraw/zinc/04/98/73/1187049873.db2.gz QJFJEYOUOUGIHV-UHFFFAOYSA-N 1 2 291.326 1.102 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@@H+](CC)[C@H]2C1 ZINC001074312613 725325077 /nfs/dbraw/zinc/32/50/77/725325077.db2.gz PPPIVEFAJRAJAD-STQMWFEESA-N 1 2 266.385 1.520 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@H+](CC)[C@H]2C1 ZINC001074312613 725325079 /nfs/dbraw/zinc/32/50/79/725325079.db2.gz PPPIVEFAJRAJAD-STQMWFEESA-N 1 2 266.385 1.520 20 30 CDEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886015157 725347108 /nfs/dbraw/zinc/34/71/08/725347108.db2.gz WQKBHJCCIUSQQY-RJAOAUJVSA-N 1 2 284.425 1.273 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC23CC3)C1 ZINC001035520394 725372684 /nfs/dbraw/zinc/37/26/84/725372684.db2.gz BANFLKVYHIUKDO-STQMWFEESA-N 1 2 264.369 1.180 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccncc2)C1 ZINC001032864137 724406741 /nfs/dbraw/zinc/40/67/41/724406741.db2.gz JQKXMQZCQZBMSF-ZDUSSCGKSA-N 1 2 279.771 1.980 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccncc2)C1 ZINC001032864137 724406744 /nfs/dbraw/zinc/40/67/44/724406744.db2.gz JQKXMQZCQZBMSF-ZDUSSCGKSA-N 1 2 279.771 1.980 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2occc2Cl)C1 ZINC001035495427 724412838 /nfs/dbraw/zinc/41/28/38/724412838.db2.gz JWVFDYVXLLTWSP-LLVKDONJSA-N 1 2 298.770 1.940 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2occc2Cl)C1 ZINC001035495427 724412843 /nfs/dbraw/zinc/41/28/43/724412843.db2.gz JWVFDYVXLLTWSP-LLVKDONJSA-N 1 2 298.770 1.940 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccncc1)C(C)C ZINC001032587422 724422985 /nfs/dbraw/zinc/42/29/85/724422985.db2.gz YAOIWBMVNZTOKU-YESZJQIVSA-N 1 2 297.402 1.740 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccncc1)C(C)C ZINC001032587422 724422987 /nfs/dbraw/zinc/42/29/87/724422987.db2.gz YAOIWBMVNZTOKU-YESZJQIVSA-N 1 2 297.402 1.740 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CC[C@@H]2CC2(Cl)Cl)nn1 ZINC000849153551 724424721 /nfs/dbraw/zinc/42/47/21/724424721.db2.gz APHASIXRUAURCN-SNVBAGLBSA-N 1 2 287.194 1.975 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cnon1 ZINC001049801720 723705852 /nfs/dbraw/zinc/70/58/52/723705852.db2.gz JEHHAXBKVITMCH-RYUDHWBXSA-N 1 2 296.758 1.501 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cnon1 ZINC001049801720 723705853 /nfs/dbraw/zinc/70/58/53/723705853.db2.gz JEHHAXBKVITMCH-RYUDHWBXSA-N 1 2 296.758 1.501 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(-n3cccc3)nc2)C1 ZINC001031122767 723716463 /nfs/dbraw/zinc/71/64/63/723716463.db2.gz SHYCDTZIQKQHCC-UHFFFAOYSA-N 1 2 294.358 1.310 20 30 CDEDLO C[C@H](CNC(=O)N(C)C[C@@H]1CCCCO1)[NH+]1CCOCC1 ZINC000328780156 723708629 /nfs/dbraw/zinc/70/86/29/723708629.db2.gz FDYCYRWTIYAIKX-KGLIPLIRSA-N 1 2 299.415 1.122 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932607350 723713556 /nfs/dbraw/zinc/71/35/56/723713556.db2.gz UHCLBCHNGSINOJ-AWEZNQCLSA-N 1 2 261.369 1.903 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932607350 723713557 /nfs/dbraw/zinc/71/35/57/723713557.db2.gz UHCLBCHNGSINOJ-AWEZNQCLSA-N 1 2 261.369 1.903 20 30 CDEDLO C=CCN1CCN(C[NH+]2CC(C)(C)OC(C)(C)C2)C1=O ZINC000840051611 723716835 /nfs/dbraw/zinc/71/68/35/723716835.db2.gz IJSXKHLWQZLEII-UHFFFAOYSA-N 1 2 281.400 1.757 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(C)n2C)C1 ZINC001031536043 723723463 /nfs/dbraw/zinc/72/34/63/723723463.db2.gz CLKLLPLFAFGYPO-UHFFFAOYSA-N 1 2 281.787 1.748 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn2ccc(C)cc12 ZINC001038370843 723725304 /nfs/dbraw/zinc/72/53/04/723725304.db2.gz HFIXLRHNGVKEGX-CQSZACIVSA-N 1 2 296.374 1.470 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn2ccc(C)cc12 ZINC001038370843 723725305 /nfs/dbraw/zinc/72/53/05/723725305.db2.gz HFIXLRHNGVKEGX-CQSZACIVSA-N 1 2 296.374 1.470 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(F)c(OC)c2)C1 ZINC001043956568 723737643 /nfs/dbraw/zinc/73/76/43/723737643.db2.gz LITGRJBVJVTWRG-UHFFFAOYSA-N 1 2 290.338 1.614 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@@H]3CC[C@H](C)O3)C2)cc1 ZINC001030776834 723731048 /nfs/dbraw/zinc/73/10/48/723731048.db2.gz CLQUWGBOIIHBAA-GUYCJALGSA-N 1 2 298.386 1.649 20 30 CDEDLO C#C[C@H]([NH2+]Cc1cnn(C)c1Cl)[C@@H]1CCCO1 ZINC000815135438 723732475 /nfs/dbraw/zinc/73/24/75/723732475.db2.gz BMFCLUAJNOGQDX-QWRGUYRKSA-N 1 2 253.733 1.344 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)nnn2C ZINC000844010290 723740840 /nfs/dbraw/zinc/74/08/40/723740840.db2.gz WTTWKOPGLYUHAD-AWEZNQCLSA-N 1 2 283.335 1.004 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)nnn2C ZINC000844010290 723740842 /nfs/dbraw/zinc/74/08/42/723740842.db2.gz WTTWKOPGLYUHAD-AWEZNQCLSA-N 1 2 283.335 1.004 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c(C)nn(C)c2C)C1 ZINC001015448960 723742825 /nfs/dbraw/zinc/74/28/25/723742825.db2.gz KORRUYMAUPPLIS-GFCCVEGCSA-N 1 2 296.802 1.594 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)nn(C)c2C)C1 ZINC001015448960 723742827 /nfs/dbraw/zinc/74/28/27/723742827.db2.gz KORRUYMAUPPLIS-GFCCVEGCSA-N 1 2 296.802 1.594 20 30 CDEDLO C[C@@H](C#N)OCC[NH+]1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000801935081 723754913 /nfs/dbraw/zinc/75/49/13/723754913.db2.gz WQBCUKOCGWMGQL-NWDGAFQWSA-N 1 2 282.413 1.024 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2scnc2CC)C1 ZINC000923567261 723745172 /nfs/dbraw/zinc/74/51/72/723745172.db2.gz ROFICOLAHGTIFN-LLVKDONJSA-N 1 2 277.393 1.533 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2scnc2CC)C1 ZINC000923567261 723745173 /nfs/dbraw/zinc/74/51/73/723745173.db2.gz ROFICOLAHGTIFN-LLVKDONJSA-N 1 2 277.393 1.533 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](Nc2ncc(C(N)=O)cc2Cl)C1 ZINC000884613274 723746502 /nfs/dbraw/zinc/74/65/02/723746502.db2.gz IJNHUYJRNDDLNS-NSHDSACASA-N 1 2 292.770 1.343 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](Nc2ncc(C(N)=O)cc2Cl)C1 ZINC000884613274 723746503 /nfs/dbraw/zinc/74/65/03/723746503.db2.gz IJNHUYJRNDDLNS-NSHDSACASA-N 1 2 292.770 1.343 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852433611 723748703 /nfs/dbraw/zinc/74/87/03/723748703.db2.gz WIMQWXAXNVKLPD-VIFPVBQESA-N 1 2 275.146 1.422 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852433611 723748704 /nfs/dbraw/zinc/74/87/04/723748704.db2.gz WIMQWXAXNVKLPD-VIFPVBQESA-N 1 2 275.146 1.422 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cn(C)nn2)[C@H]1C ZINC000993254235 723758575 /nfs/dbraw/zinc/75/85/75/723758575.db2.gz GAAGSLJJMVNACJ-GHMZBOCLSA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)nn2)[C@H]1C ZINC000993254235 723758577 /nfs/dbraw/zinc/75/85/77/723758577.db2.gz GAAGSLJJMVNACJ-GHMZBOCLSA-N 1 2 297.790 1.150 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c[nH]nc2C(C)C)C1 ZINC001043200323 723759579 /nfs/dbraw/zinc/75/95/79/723759579.db2.gz WHJWQVNQKZVARO-UHFFFAOYSA-N 1 2 274.368 1.313 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(c2ccccn2)CC1 ZINC001017552506 723761257 /nfs/dbraw/zinc/76/12/57/723761257.db2.gz OCSZLZNMZDLXGN-GASCZTMLSA-N 1 2 295.386 1.422 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(c2ccccn2)CC1 ZINC001017552506 723761258 /nfs/dbraw/zinc/76/12/58/723761258.db2.gz OCSZLZNMZDLXGN-GASCZTMLSA-N 1 2 295.386 1.422 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnn1C1CCC1 ZINC001038250285 723762824 /nfs/dbraw/zinc/76/28/24/723762824.db2.gz ZEPNZACKCFKQSH-ZDUSSCGKSA-N 1 2 272.352 1.045 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnn1C1CCC1 ZINC001038250285 723762826 /nfs/dbraw/zinc/76/28/26/723762826.db2.gz ZEPNZACKCFKQSH-ZDUSSCGKSA-N 1 2 272.352 1.045 20 30 CDEDLO Cc1[nH+]cc(C=NNC(=S)NC2CCCCC2)n1C ZINC000853263627 723776087 /nfs/dbraw/zinc/77/60/87/723776087.db2.gz UNPDSDJTYSCVJZ-UHFFFAOYSA-N 1 2 279.413 1.859 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1csc(COC)n1 ZINC000811933086 723764404 /nfs/dbraw/zinc/76/44/04/723764404.db2.gz AJJLZAVRJPWDNG-LBPRGKRZSA-N 1 2 293.392 1.003 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1csc(COC)n1 ZINC000811933086 723764405 /nfs/dbraw/zinc/76/44/05/723764405.db2.gz AJJLZAVRJPWDNG-LBPRGKRZSA-N 1 2 293.392 1.003 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnnc(C)c1 ZINC001017505183 723769934 /nfs/dbraw/zinc/76/99/34/723769934.db2.gz PWDBHUZLSXGURV-OKILXGFUSA-N 1 2 272.352 1.260 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnnc(C)c1 ZINC001017505183 723769935 /nfs/dbraw/zinc/76/99/35/723769935.db2.gz PWDBHUZLSXGURV-OKILXGFUSA-N 1 2 272.352 1.260 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)CCC1CC1 ZINC000884326304 723837613 /nfs/dbraw/zinc/83/76/13/723837613.db2.gz PEPDJUNWGKVTQU-PWSUYJOCSA-N 1 2 268.357 1.128 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](CCn2cnc(Br)n2)C1 ZINC000852318990 723832488 /nfs/dbraw/zinc/83/24/88/723832488.db2.gz DLSQFZDMMDNULS-SNVBAGLBSA-N 1 2 298.188 1.666 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](CCn2cnc(Br)n2)C1 ZINC000852318990 723832489 /nfs/dbraw/zinc/83/24/89/723832489.db2.gz DLSQFZDMMDNULS-SNVBAGLBSA-N 1 2 298.188 1.666 20 30 CDEDLO N#Cc1cccn(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c1=O ZINC000853592923 723868829 /nfs/dbraw/zinc/86/88/29/723868829.db2.gz ASJPGZUXJUECLD-MRXNPFEDSA-N 1 2 295.342 1.831 20 30 CDEDLO N#Cc1cccn(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c1=O ZINC000853592923 723868832 /nfs/dbraw/zinc/86/88/32/723868832.db2.gz ASJPGZUXJUECLD-MRXNPFEDSA-N 1 2 295.342 1.831 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2cccc(F)c2F)C1 ZINC001031016984 723873247 /nfs/dbraw/zinc/87/32/47/723873247.db2.gz GIUKFPCBPLKEDR-UHFFFAOYSA-N 1 2 278.302 1.331 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c2)C1 ZINC001014510065 723895192 /nfs/dbraw/zinc/89/51/92/723895192.db2.gz TZNVSSFUWAZDAA-NSHDSACASA-N 1 2 253.733 1.571 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc[nH]c2)C1 ZINC001014510065 723895195 /nfs/dbraw/zinc/89/51/95/723895195.db2.gz TZNVSSFUWAZDAA-NSHDSACASA-N 1 2 253.733 1.571 20 30 CDEDLO C=CCCO[C@H](C)C(=O)OCCCn1cc[nH+]c1 ZINC000783234991 723927915 /nfs/dbraw/zinc/92/79/15/723927915.db2.gz NCPDAAYGOHNNQF-GFCCVEGCSA-N 1 2 252.314 1.798 20 30 CDEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)C3CC3)C2)CC1 ZINC001051966825 723937538 /nfs/dbraw/zinc/93/75/38/723937538.db2.gz MMHLYRXFFOAHDE-CQSZACIVSA-N 1 2 297.830 1.367 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1c(F)ccc(OC)c1F ZINC001038932528 723952269 /nfs/dbraw/zinc/95/22/69/723952269.db2.gz FISRLGUTNFTSAP-SNVBAGLBSA-N 1 2 296.317 1.964 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(F)ccc(OC)c1F ZINC001038932528 723952278 /nfs/dbraw/zinc/95/22/78/723952278.db2.gz FISRLGUTNFTSAP-SNVBAGLBSA-N 1 2 296.317 1.964 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnccn2)[C@@H]1C ZINC000992978710 724033044 /nfs/dbraw/zinc/03/30/44/724033044.db2.gz CQBBGDFKNNVFGA-RYUDHWBXSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnccn2)[C@@H]1C ZINC000992978710 724033047 /nfs/dbraw/zinc/03/30/47/724033047.db2.gz CQBBGDFKNNVFGA-RYUDHWBXSA-N 1 2 294.786 1.812 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)c1cccc2[nH+]ccn21 ZINC000817617954 724047454 /nfs/dbraw/zinc/04/74/54/724047454.db2.gz MJKVGXQYDWYHHT-UHFFFAOYSA-N 1 2 256.309 1.956 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)n(C)c2C)C1 ZINC001035598303 724049381 /nfs/dbraw/zinc/04/93/81/724049381.db2.gz VTYHWZBSIDNGEG-AWEZNQCLSA-N 1 2 291.395 1.259 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)n(C)c2C)C1 ZINC001035598303 724049383 /nfs/dbraw/zinc/04/93/83/724049383.db2.gz VTYHWZBSIDNGEG-AWEZNQCLSA-N 1 2 291.395 1.259 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnnn2CC)C1 ZINC001046296044 724050742 /nfs/dbraw/zinc/05/07/42/724050742.db2.gz UXRKXLSKRBUZDS-ZDUSSCGKSA-N 1 2 297.790 1.245 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnnn2CC)C1 ZINC001046296044 724050746 /nfs/dbraw/zinc/05/07/46/724050746.db2.gz UXRKXLSKRBUZDS-ZDUSSCGKSA-N 1 2 297.790 1.245 20 30 CDEDLO C#CCNC(=O)C[NH+]1CCN(c2ccc(C)cc2C)CC1 ZINC000852742329 724054395 /nfs/dbraw/zinc/05/43/95/724054395.db2.gz FVEGLNNLPOLQDJ-UHFFFAOYSA-N 1 2 285.391 1.175 20 30 CDEDLO C#Cc1ccccc1CC(=O)N[C@H]1COC2(C[NH+](CC)C2)C1 ZINC001053993239 724081997 /nfs/dbraw/zinc/08/19/97/724081997.db2.gz IYTNVLINKOBPQO-MRXNPFEDSA-N 1 2 298.386 1.190 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccn(C)n3)cc2C1 ZINC001054291708 724110190 /nfs/dbraw/zinc/11/01/90/724110190.db2.gz CSLFFFMNXBVTOW-UHFFFAOYSA-N 1 2 294.358 1.299 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccn(C)n3)cc2C1 ZINC001054291708 724110192 /nfs/dbraw/zinc/11/01/92/724110192.db2.gz CSLFFFMNXBVTOW-UHFFFAOYSA-N 1 2 294.358 1.299 20 30 CDEDLO N#CC1(COC(=O)c2ccc(N)c(-n3cc[nH+]c3)c2)CC1 ZINC000838098162 724126722 /nfs/dbraw/zinc/12/67/22/724126722.db2.gz VTTIOQSMQWYISP-UHFFFAOYSA-N 1 2 282.303 1.915 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001044039154 724126792 /nfs/dbraw/zinc/12/67/92/724126792.db2.gz VCVJOCWMHREEDC-KBPBESRZSA-N 1 2 264.369 1.296 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2coc(C)c2)C1 ZINC001035345942 724206842 /nfs/dbraw/zinc/20/68/42/724206842.db2.gz GAVTUYRFGYDAOX-CQSZACIVSA-N 1 2 276.336 1.042 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2coc(C)c2)C1 ZINC001035345942 724206855 /nfs/dbraw/zinc/20/68/55/724206855.db2.gz GAVTUYRFGYDAOX-CQSZACIVSA-N 1 2 276.336 1.042 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(OC)o2)C1 ZINC001035565092 724217680 /nfs/dbraw/zinc/21/76/80/724217680.db2.gz YYYXOUYZRHPNFD-GFCCVEGCSA-N 1 2 294.351 1.295 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(OC)o2)C1 ZINC001035565092 724217688 /nfs/dbraw/zinc/21/76/88/724217688.db2.gz YYYXOUYZRHPNFD-GFCCVEGCSA-N 1 2 294.351 1.295 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[C@@H]1C ZINC001071749533 724223798 /nfs/dbraw/zinc/22/37/98/724223798.db2.gz VXUJFJBUTMXDLI-MEBFFEOJSA-N 1 2 298.814 1.600 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[C@@H]1C ZINC001071749533 724223808 /nfs/dbraw/zinc/22/38/08/724223808.db2.gz VXUJFJBUTMXDLI-MEBFFEOJSA-N 1 2 298.814 1.600 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ncc(F)cc1F ZINC001038406538 724228295 /nfs/dbraw/zinc/22/82/95/724228295.db2.gz APPLTOQWBFUWOR-SNVBAGLBSA-N 1 2 267.279 1.350 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncc(F)cc1F ZINC001038406538 724228303 /nfs/dbraw/zinc/22/83/03/724228303.db2.gz APPLTOQWBFUWOR-SNVBAGLBSA-N 1 2 267.279 1.350 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ocnc1CC ZINC001032617060 724258148 /nfs/dbraw/zinc/25/81/48/724258148.db2.gz JNPBHFXZVAUGHH-QWRGUYRKSA-N 1 2 261.325 1.322 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ocnc1CC ZINC001032617060 724258154 /nfs/dbraw/zinc/25/81/54/724258154.db2.gz JNPBHFXZVAUGHH-QWRGUYRKSA-N 1 2 261.325 1.322 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1nc(C)n2ccccc12 ZINC001038511112 724272636 /nfs/dbraw/zinc/27/26/36/724272636.db2.gz KMDGGXHGRYDPIO-AWEZNQCLSA-N 1 2 296.374 1.470 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1nc(C)n2ccccc12 ZINC001038511112 724272644 /nfs/dbraw/zinc/27/26/44/724272644.db2.gz KMDGGXHGRYDPIO-AWEZNQCLSA-N 1 2 296.374 1.470 20 30 CDEDLO C=CCNC(=S)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788330438 724324384 /nfs/dbraw/zinc/32/43/84/724324384.db2.gz AJJSLDCYESEOBI-GFCCVEGCSA-N 1 2 263.366 1.595 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](CC)[C@H]2C1 ZINC001074314958 724341371 /nfs/dbraw/zinc/34/13/71/724341371.db2.gz NNXKWUCLFXDCBR-UONOGXRCSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](CC)[C@H]2C1 ZINC001074314958 724341372 /nfs/dbraw/zinc/34/13/72/724341372.db2.gz NNXKWUCLFXDCBR-UONOGXRCSA-N 1 2 280.412 1.910 20 30 CDEDLO Cc1nc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@H](C)C#N)co1 ZINC000960501554 724364285 /nfs/dbraw/zinc/36/42/85/724364285.db2.gz KRKNNPUXTZVKKY-RISCZKNCSA-N 1 2 290.367 1.566 20 30 CDEDLO Cc1nc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@H](C)C#N)co1 ZINC000960501554 724364288 /nfs/dbraw/zinc/36/42/88/724364288.db2.gz KRKNNPUXTZVKKY-RISCZKNCSA-N 1 2 290.367 1.566 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2ncoc2C2CC2)C1 ZINC001031202202 724446149 /nfs/dbraw/zinc/44/61/49/724446149.db2.gz FLLYUYJAJCGWBA-UHFFFAOYSA-N 1 2 261.325 1.542 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cn[nH]c2)CC[C@H]1C ZINC001071368676 724446815 /nfs/dbraw/zinc/44/68/15/724446815.db2.gz GEPAQVJUXQVPCE-ZYHUDNBSSA-N 1 2 282.775 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cn[nH]c2)CC[C@H]1C ZINC001071368676 724446817 /nfs/dbraw/zinc/44/68/17/724446817.db2.gz GEPAQVJUXQVPCE-ZYHUDNBSSA-N 1 2 282.775 1.745 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)C(C)C ZINC000854068736 725403735 /nfs/dbraw/zinc/40/37/35/725403735.db2.gz LPLQUCRHVZHAEY-MJBXVCDLSA-N 1 2 281.400 1.053 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)C(C)C ZINC000854068736 725403736 /nfs/dbraw/zinc/40/37/36/725403736.db2.gz LPLQUCRHVZHAEY-MJBXVCDLSA-N 1 2 281.400 1.053 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)c[nH]1 ZINC001017351762 724472748 /nfs/dbraw/zinc/47/27/48/724472748.db2.gz DSLLVTBPTUHHSG-TXEJJXNPSA-N 1 2 277.755 1.590 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)c[nH]1 ZINC001017351762 724472755 /nfs/dbraw/zinc/47/27/55/724472755.db2.gz DSLLVTBPTUHHSG-TXEJJXNPSA-N 1 2 277.755 1.590 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1(CC(C)C)CC1 ZINC000884173071 724500092 /nfs/dbraw/zinc/50/00/92/724500092.db2.gz LRVKHKULSWVIQZ-LBPRGKRZSA-N 1 2 282.384 1.376 20 30 CDEDLO N#Cc1csc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC000887976106 724529742 /nfs/dbraw/zinc/52/97/42/724529742.db2.gz COWYQGYZPJXNOR-RKDXNWHRSA-N 1 2 273.321 1.158 20 30 CDEDLO N#Cc1csc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC000887976106 724529750 /nfs/dbraw/zinc/52/97/50/724529750.db2.gz COWYQGYZPJXNOR-RKDXNWHRSA-N 1 2 273.321 1.158 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccn(C)n1 ZINC001028318629 724590566 /nfs/dbraw/zinc/59/05/66/724590566.db2.gz AXPHCOXGPHGUTH-LLVKDONJSA-N 1 2 282.775 1.367 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(C)n1 ZINC001028318629 724590570 /nfs/dbraw/zinc/59/05/70/724590570.db2.gz AXPHCOXGPHGUTH-LLVKDONJSA-N 1 2 282.775 1.367 20 30 CDEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1snnc1C ZINC001017343306 724592772 /nfs/dbraw/zinc/59/27/72/724592772.db2.gz IVDLJAKFTZYBEU-TXEJJXNPSA-N 1 2 290.392 1.159 20 30 CDEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1snnc1C ZINC001017343306 724592776 /nfs/dbraw/zinc/59/27/76/724592776.db2.gz IVDLJAKFTZYBEU-TXEJJXNPSA-N 1 2 290.392 1.159 20 30 CDEDLO NC(CCO)=[NH+]OCc1ccc(-n2cccn2)cc1 ZINC000136073553 724593272 /nfs/dbraw/zinc/59/32/72/724593272.db2.gz NVNSEFOAVOBKRL-UHFFFAOYSA-N 1 2 260.297 1.044 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](Nc2cc(=O)[nH]c3cccnc23)C1 ZINC000884611355 724637230 /nfs/dbraw/zinc/63/72/30/724637230.db2.gz JUKREZOPNPPJLO-GFCCVEGCSA-N 1 2 282.347 1.845 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](Nc2cc(=O)[nH]c3cccnc23)C1 ZINC000884611355 724637236 /nfs/dbraw/zinc/63/72/36/724637236.db2.gz JUKREZOPNPPJLO-GFCCVEGCSA-N 1 2 282.347 1.845 20 30 CDEDLO N#C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)C1CCCCC1 ZINC000866344220 724643390 /nfs/dbraw/zinc/64/33/90/724643390.db2.gz RQKFYNKUVKCEFY-NFBGWVBBSA-N 1 2 291.395 1.463 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CC(=O)N[C@@H](CC)C2)C1 ZINC001043441449 724653875 /nfs/dbraw/zinc/65/38/75/724653875.db2.gz RZMUQRLOICLTQO-OLZOCXBDSA-N 1 2 293.411 1.010 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCC(C)(C)C[C@H]1C ZINC000884169634 724672139 /nfs/dbraw/zinc/67/21/39/724672139.db2.gz HEWYQTOIMUBROI-AGIUHOORSA-N 1 2 296.411 1.764 20 30 CDEDLO C#CC1(F)CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC000881937956 724674952 /nfs/dbraw/zinc/67/49/52/724674952.db2.gz CABBFPSZJWSJSR-LBPRGKRZSA-N 1 2 263.316 1.654 20 30 CDEDLO C#CCOc1ccccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000840755201 724689616 /nfs/dbraw/zinc/68/96/16/724689616.db2.gz DXXHMTVCMWUSPU-CQSZACIVSA-N 1 2 288.347 1.284 20 30 CDEDLO C#CCOc1ccccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000840755201 724689618 /nfs/dbraw/zinc/68/96/18/724689618.db2.gz DXXHMTVCMWUSPU-CQSZACIVSA-N 1 2 288.347 1.284 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(CC)c1O ZINC000885641169 724699330 /nfs/dbraw/zinc/69/93/30/724699330.db2.gz VMDVRWVVESTYGQ-AWEZNQCLSA-N 1 2 272.348 1.991 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(CC)c1O ZINC000885641169 724699333 /nfs/dbraw/zinc/69/93/33/724699333.db2.gz VMDVRWVVESTYGQ-AWEZNQCLSA-N 1 2 272.348 1.991 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(C)=O ZINC001039314358 724712895 /nfs/dbraw/zinc/71/28/95/724712895.db2.gz RSOKNRDUIIADHQ-NEPJUHHUSA-N 1 2 287.201 1.980 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(C)=O ZINC001039314358 724712898 /nfs/dbraw/zinc/71/28/98/724712898.db2.gz RSOKNRDUIIADHQ-NEPJUHHUSA-N 1 2 287.201 1.980 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)c(CC)o1 ZINC001038918487 724713676 /nfs/dbraw/zinc/71/36/76/724713676.db2.gz KOIDWUSMBUAGHA-CYBMUJFWSA-N 1 2 274.364 1.978 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)c(CC)o1 ZINC001038918487 724713678 /nfs/dbraw/zinc/71/36/78/724713678.db2.gz KOIDWUSMBUAGHA-CYBMUJFWSA-N 1 2 274.364 1.978 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC=C)CC(F)(F)F ZINC000884102993 724729710 /nfs/dbraw/zinc/72/97/10/724729710.db2.gz ULVKQHLAMZSORT-VIFPVBQESA-N 1 2 294.273 1.010 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccs1)CO2 ZINC001053727677 724742998 /nfs/dbraw/zinc/74/29/98/724742998.db2.gz DGUZXJBSGWFTGW-GFCCVEGCSA-N 1 2 290.388 1.345 20 30 CDEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cnnn1C ZINC000814841156 724745167 /nfs/dbraw/zinc/74/51/67/724745167.db2.gz DGCMRYAPQHFYKF-UHFFFAOYSA-N 1 2 266.308 1.621 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)ccn1C ZINC001032372972 724753686 /nfs/dbraw/zinc/75/36/86/724753686.db2.gz MYMRRUXKCDUESC-KBPBESRZSA-N 1 2 271.364 1.256 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)ccn1C ZINC001032372972 724753693 /nfs/dbraw/zinc/75/36/93/724753693.db2.gz MYMRRUXKCDUESC-KBPBESRZSA-N 1 2 271.364 1.256 20 30 CDEDLO CC(C)C#CC(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000825100248 724789307 /nfs/dbraw/zinc/78/93/07/724789307.db2.gz ZULFKXJQPLFMLV-UHFFFAOYSA-N 1 2 285.391 1.428 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)CCO2 ZINC001038729673 724809345 /nfs/dbraw/zinc/80/93/45/724809345.db2.gz OCUOZLGURGOOAO-CQSZACIVSA-N 1 2 270.332 1.059 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)CCO2 ZINC001038729673 724809346 /nfs/dbraw/zinc/80/93/46/724809346.db2.gz OCUOZLGURGOOAO-CQSZACIVSA-N 1 2 270.332 1.059 20 30 CDEDLO C#CCCCCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000159082227 724806331 /nfs/dbraw/zinc/80/63/31/724806331.db2.gz DXVSJIRLFKNONA-UHFFFAOYSA-N 1 2 281.400 1.200 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cc1ccco1 ZINC001032677408 724824261 /nfs/dbraw/zinc/82/42/61/724824261.db2.gz DDFYRUGUOSINDI-RDBSUJKOSA-N 1 2 272.348 1.377 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cc1ccco1 ZINC001032677408 724824264 /nfs/dbraw/zinc/82/42/64/724824264.db2.gz DDFYRUGUOSINDI-RDBSUJKOSA-N 1 2 272.348 1.377 20 30 CDEDLO C#CCCOC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000858893733 725238742 /nfs/dbraw/zinc/23/87/42/725238742.db2.gz RZIOZWSVPITXSG-UHFFFAOYSA-N 1 2 261.325 1.511 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2scnc2CC)[C@H]1C ZINC000993404733 723702189 /nfs/dbraw/zinc/70/21/89/723702189.db2.gz YYQMDHRGPSVFPU-DGCLKSJQSA-N 1 2 291.420 1.921 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2scnc2CC)[C@H]1C ZINC000993404733 723702190 /nfs/dbraw/zinc/70/21/90/723702190.db2.gz YYQMDHRGPSVFPU-DGCLKSJQSA-N 1 2 291.420 1.921 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1OC ZINC001032745339 723748938 /nfs/dbraw/zinc/74/89/38/723748938.db2.gz OQXWXBUELQVFML-QWRGUYRKSA-N 1 2 278.377 1.841 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1OC ZINC001032745339 723748939 /nfs/dbraw/zinc/74/89/39/723748939.db2.gz OQXWXBUELQVFML-QWRGUYRKSA-N 1 2 278.377 1.841 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C)s2)C1 ZINC001035264333 723756001 /nfs/dbraw/zinc/75/60/01/723756001.db2.gz FXHLYYXQHUXPJW-ZDUSSCGKSA-N 1 2 292.404 1.510 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C)s2)C1 ZINC001035264333 723756002 /nfs/dbraw/zinc/75/60/02/723756002.db2.gz FXHLYYXQHUXPJW-ZDUSSCGKSA-N 1 2 292.404 1.510 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(C(F)F)c1 ZINC001038855719 723757917 /nfs/dbraw/zinc/75/79/17/723757917.db2.gz SASVXDYSUYRHHJ-NSHDSACASA-N 1 2 282.294 1.106 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(C(F)F)c1 ZINC001038855719 723757918 /nfs/dbraw/zinc/75/79/18/723757918.db2.gz SASVXDYSUYRHHJ-NSHDSACASA-N 1 2 282.294 1.106 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1[nH]ccc1C1CC1 ZINC001038333172 723761703 /nfs/dbraw/zinc/76/17/03/723761703.db2.gz PKUWWQFMRGQYSF-GFCCVEGCSA-N 1 2 257.337 1.329 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1[nH]ccc1C1CC1 ZINC001038333172 723761705 /nfs/dbraw/zinc/76/17/05/723761705.db2.gz PKUWWQFMRGQYSF-GFCCVEGCSA-N 1 2 257.337 1.329 20 30 CDEDLO C#CCOCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000121483260 723780155 /nfs/dbraw/zinc/78/01/55/723780155.db2.gz LGBBZMFLGHASSG-UHFFFAOYSA-N 1 2 287.294 1.990 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2CC(OC)C2)C1 ZINC001007553642 724002662 /nfs/dbraw/zinc/00/26/62/724002662.db2.gz DIGZKHGNRIANHQ-CPCZMJQVSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2CC(OC)C2)C1 ZINC001007553642 724002664 /nfs/dbraw/zinc/00/26/64/724002664.db2.gz DIGZKHGNRIANHQ-CPCZMJQVSA-N 1 2 286.803 1.745 20 30 CDEDLO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+]2C[C@H](F)CC)c1 ZINC001038679349 724016555 /nfs/dbraw/zinc/01/65/55/724016555.db2.gz BIBPOBFKLZKOOJ-HUUCEWRRSA-N 1 2 289.354 1.615 20 30 CDEDLO C#Cc1cncc(C(=O)NC[C@H]2CC[N@@H+]2C[C@H](F)CC)c1 ZINC001038679349 724016559 /nfs/dbraw/zinc/01/65/59/724016559.db2.gz BIBPOBFKLZKOOJ-HUUCEWRRSA-N 1 2 289.354 1.615 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2CCO[C@H](CC)C2)C1 ZINC001031217405 724026323 /nfs/dbraw/zinc/02/63/23/724026323.db2.gz KXDITKHOCWMGLD-UKRRQHHQSA-N 1 2 280.412 1.958 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001031374508 724028659 /nfs/dbraw/zinc/02/86/59/724028659.db2.gz LUHVGVIIBKCFCX-UHFFFAOYSA-N 1 2 268.360 1.613 20 30 CDEDLO C=CCNC(=O)[C@@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845277962 724069284 /nfs/dbraw/zinc/06/92/84/724069284.db2.gz QOXKRUYWHNPESN-WDEREUQCSA-N 1 2 265.313 1.068 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CC(C)(C)O)C[C@@H]21 ZINC001074229013 724177244 /nfs/dbraw/zinc/17/72/44/724177244.db2.gz IJHOQURDGYUBFM-UONOGXRCSA-N 1 2 296.411 1.025 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CC(C)(C)O)C[C@@H]21 ZINC001074229013 724177245 /nfs/dbraw/zinc/17/72/45/724177245.db2.gz IJHOQURDGYUBFM-UONOGXRCSA-N 1 2 296.411 1.025 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c(C)cc(C)nc2C)C1 ZINC001030709875 724202781 /nfs/dbraw/zinc/20/27/81/724202781.db2.gz KATLJBPBVBHKQE-UHFFFAOYSA-N 1 2 271.364 1.444 20 30 CDEDLO CCn1nc(C)c(C[NH2+]Cc2cc(C#N)cs2)n1 ZINC000818220437 724271640 /nfs/dbraw/zinc/27/16/40/724271640.db2.gz HBCHRWBQJPOADO-UHFFFAOYSA-N 1 2 261.354 1.829 20 30 CDEDLO CCN(C[C@@H](C)C#N)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783974173 724307408 /nfs/dbraw/zinc/30/74/08/724307408.db2.gz HYMFAUDDFQCHDF-STQMWFEESA-N 1 2 289.383 1.175 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2scnc2C2CC2)C1 ZINC001015813197 724337645 /nfs/dbraw/zinc/33/76/45/724337645.db2.gz MIXWEEJXEWHRTD-NSHDSACASA-N 1 2 275.377 1.458 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2scnc2C2CC2)C1 ZINC001015813197 724337640 /nfs/dbraw/zinc/33/76/40/724337640.db2.gz MIXWEEJXEWHRTD-NSHDSACASA-N 1 2 275.377 1.458 20 30 CDEDLO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccns1 ZINC001024464526 724343560 /nfs/dbraw/zinc/34/35/60/724343560.db2.gz YDXKMVREYHLDPT-GFCCVEGCSA-N 1 2 277.393 1.751 20 30 CDEDLO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccns1 ZINC001024464526 724343565 /nfs/dbraw/zinc/34/35/65/724343565.db2.gz YDXKMVREYHLDPT-GFCCVEGCSA-N 1 2 277.393 1.751 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C)c(OCC)c2)C1 ZINC001031042122 724343604 /nfs/dbraw/zinc/34/36/04/724343604.db2.gz KZJZNGDCTQQGIY-UHFFFAOYSA-N 1 2 286.375 1.831 20 30 CDEDLO C=C(Br)C[N@@H+](C)CCOCCCOC ZINC000091102169 724364040 /nfs/dbraw/zinc/36/40/40/724364040.db2.gz FWCSVSWJOCWCSG-UHFFFAOYSA-N 1 2 266.179 1.880 20 30 CDEDLO C=C(Br)C[N@H+](C)CCOCCCOC ZINC000091102169 724364043 /nfs/dbraw/zinc/36/40/43/724364043.db2.gz FWCSVSWJOCWCSG-UHFFFAOYSA-N 1 2 266.179 1.880 20 30 CDEDLO C=CCONC(=O)NCCCNc1cccc[nH+]1 ZINC000838703023 724366935 /nfs/dbraw/zinc/36/69/35/724366935.db2.gz ADKRIVZKQNSODN-UHFFFAOYSA-N 1 2 250.302 1.300 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)c2ccnn2C)C1 ZINC001014467134 725049677 /nfs/dbraw/zinc/04/96/77/725049677.db2.gz CYTTUTCFXCHSDC-VXGBXAGGSA-N 1 2 296.802 1.467 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)c2ccnn2C)C1 ZINC001014467134 725049680 /nfs/dbraw/zinc/04/96/80/725049680.db2.gz CYTTUTCFXCHSDC-VXGBXAGGSA-N 1 2 296.802 1.467 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnn(CC)n2)C1 ZINC001033061247 725061091 /nfs/dbraw/zinc/06/10/91/725061091.db2.gz IQVNCJSMVMBMAB-NSHDSACASA-N 1 2 297.790 1.197 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(CC)n2)C1 ZINC001033061247 725061094 /nfs/dbraw/zinc/06/10/94/725061094.db2.gz IQVNCJSMVMBMAB-NSHDSACASA-N 1 2 297.790 1.197 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)co1 ZINC001051075464 725062441 /nfs/dbraw/zinc/06/24/41/725062441.db2.gz YBALCCHYMWPUME-ZDUSSCGKSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)co1 ZINC001051075464 725062443 /nfs/dbraw/zinc/06/24/43/725062443.db2.gz YBALCCHYMWPUME-ZDUSSCGKSA-N 1 2 278.352 1.595 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N[C@H](C)C3CN(CC#N)C3)ccn12 ZINC000969672848 725070298 /nfs/dbraw/zinc/07/02/98/725070298.db2.gz GHFIARXZJZYMFO-GFCCVEGCSA-N 1 2 297.362 1.216 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1[nH]cnc1C ZINC001051270643 725085955 /nfs/dbraw/zinc/08/59/55/725085955.db2.gz VHTUVWYCYFZJBX-CYBMUJFWSA-N 1 2 292.383 1.115 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1[nH]cnc1C ZINC001051270643 725085959 /nfs/dbraw/zinc/08/59/59/725085959.db2.gz VHTUVWYCYFZJBX-CYBMUJFWSA-N 1 2 292.383 1.115 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1oc(C2CC2)nc1C ZINC001038798411 725094346 /nfs/dbraw/zinc/09/43/46/725094346.db2.gz GRDJIXPYLJAWBG-CYBMUJFWSA-N 1 2 287.363 1.688 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1oc(C2CC2)nc1C ZINC001038798411 725094349 /nfs/dbraw/zinc/09/43/49/725094349.db2.gz GRDJIXPYLJAWBG-CYBMUJFWSA-N 1 2 287.363 1.688 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCCC1 ZINC001017287070 725132301 /nfs/dbraw/zinc/13/23/01/725132301.db2.gz UTOAGBUJOSCKAC-GASCZTMLSA-N 1 2 260.381 1.875 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCCC1 ZINC001017287070 725132303 /nfs/dbraw/zinc/13/23/03/725132303.db2.gz UTOAGBUJOSCKAC-GASCZTMLSA-N 1 2 260.381 1.875 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccccc2)on1 ZINC001038480157 725147882 /nfs/dbraw/zinc/14/78/82/725147882.db2.gz GBTAUZQNSUMSDG-CQSZACIVSA-N 1 2 295.342 1.779 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccccc2)on1 ZINC001038480157 725147887 /nfs/dbraw/zinc/14/78/87/725147887.db2.gz GBTAUZQNSUMSDG-CQSZACIVSA-N 1 2 295.342 1.779 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](N(CC)C(=O)c2snnc2C)C1 ZINC001033747086 725175775 /nfs/dbraw/zinc/17/57/75/725175775.db2.gz HRUHWIWAHDTCDH-LBPRGKRZSA-N 1 2 292.408 1.406 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2snnc2C)C1 ZINC001033747086 725175780 /nfs/dbraw/zinc/17/57/80/725175780.db2.gz HRUHWIWAHDTCDH-LBPRGKRZSA-N 1 2 292.408 1.406 20 30 CDEDLO CCC(=[NH+]NC(=S)N[C@H](C)COC)c1ccc(N)cc1 ZINC000863067591 725177465 /nfs/dbraw/zinc/17/74/65/725177465.db2.gz DEJIOWOFQYOREK-SNVBAGLBSA-N 1 2 294.424 1.882 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1ccco1)CCO2 ZINC001053479517 725197027 /nfs/dbraw/zinc/19/70/27/725197027.db2.gz VMNGXVUBALFBJN-UHFFFAOYSA-N 1 2 290.363 1.311 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1CC(C)(C)C1)CO2 ZINC001053791926 725204471 /nfs/dbraw/zinc/20/44/71/725204471.db2.gz RPBIJDJTPDMDIL-CQSZACIVSA-N 1 2 292.423 1.958 20 30 CDEDLO CN(C)c1cc(Cn2cccc(C#N)c2=O)cc[nH+]1 ZINC000133873973 725213470 /nfs/dbraw/zinc/21/34/70/725213470.db2.gz AKNRDJRPXFCJNN-UHFFFAOYSA-N 1 2 254.293 1.229 20 30 CDEDLO N#CCN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001052460673 725213706 /nfs/dbraw/zinc/21/37/06/725213706.db2.gz CHVYPXNKAVIOSF-JHJVBQTASA-N 1 2 287.367 1.007 20 30 CDEDLO N#CCN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001052460673 725213702 /nfs/dbraw/zinc/21/37/02/725213702.db2.gz CHVYPXNKAVIOSF-JHJVBQTASA-N 1 2 287.367 1.007 20 30 CDEDLO C#Cc1cncc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000807063359 725215030 /nfs/dbraw/zinc/21/50/30/725215030.db2.gz SAROEVYPJQSQMS-CJNGLKHVSA-N 1 2 294.358 1.983 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc(C)nc2C2CC2)C1 ZINC001044248802 725249895 /nfs/dbraw/zinc/24/98/95/725249895.db2.gz QSOKSJXJUGYRPU-UHFFFAOYSA-N 1 2 298.390 1.442 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(F)ccc2Cl)C1 ZINC001031000580 725255189 /nfs/dbraw/zinc/25/51/89/725255189.db2.gz JDXGQXURTJSKLU-UHFFFAOYSA-N 1 2 280.730 1.916 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(CC)n1 ZINC001032448600 725292812 /nfs/dbraw/zinc/29/28/12/725292812.db2.gz QDIHHNNJRGOOAN-KBPBESRZSA-N 1 2 269.348 1.176 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(CC)n1 ZINC001032448600 725292815 /nfs/dbraw/zinc/29/28/15/725292815.db2.gz QDIHHNNJRGOOAN-KBPBESRZSA-N 1 2 269.348 1.176 20 30 CDEDLO C#Cc1ccccc1CC(=O)NC1C[NH+](CC=C(C)C)C1 ZINC001031313891 725292986 /nfs/dbraw/zinc/29/29/86/725292986.db2.gz BCANRCGMBPQSJZ-UHFFFAOYSA-N 1 2 282.387 1.977 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2ccncc2c1 ZINC001038897105 725307800 /nfs/dbraw/zinc/30/78/00/725307800.db2.gz XNROXQIFDMIALQ-INIZCTEOSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2ccncc2c1 ZINC001038897105 725307804 /nfs/dbraw/zinc/30/78/04/725307804.db2.gz XNROXQIFDMIALQ-INIZCTEOSA-N 1 2 279.343 1.672 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)[C@H]2CCCO2)C1 ZINC001030920521 725309822 /nfs/dbraw/zinc/30/98/22/725309822.db2.gz SQEUNBYYIOMPBM-WCQYABFASA-N 1 2 252.358 1.178 20 30 CDEDLO COC(=O)[C@](C)([NH2+]C[C@H](O)CC1(C#N)CCC1)C1CC1 ZINC000886099991 725310688 /nfs/dbraw/zinc/31/06/88/725310688.db2.gz BPBLZDKDUGCCFZ-TZMCWYRMSA-N 1 2 280.368 1.363 20 30 CDEDLO C=CCn1cccc1C(=O)N1CCOC2(C[NH+](CC)C2)C1 ZINC001053289674 725319470 /nfs/dbraw/zinc/31/94/70/725319470.db2.gz XSSBLJBZKSIMKJ-UHFFFAOYSA-N 1 2 289.379 1.221 20 30 CDEDLO CC(C)(F)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004327578 725324562 /nfs/dbraw/zinc/32/45/62/725324562.db2.gz RYRYMOIAUABZJG-ZDUSSCGKSA-N 1 2 281.375 1.961 20 30 CDEDLO CC(C)(F)C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004327578 725324564 /nfs/dbraw/zinc/32/45/64/725324564.db2.gz RYRYMOIAUABZJG-ZDUSSCGKSA-N 1 2 281.375 1.961 20 30 CDEDLO C#CC1CC[NH+](Cc2nnnn2Cc2ccccc2)CC1 ZINC000830305784 725337883 /nfs/dbraw/zinc/33/78/83/725337883.db2.gz VAMTYRGERXSPGV-UHFFFAOYSA-N 1 2 281.363 1.567 20 30 CDEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886015157 725347106 /nfs/dbraw/zinc/34/71/06/725347106.db2.gz WQKBHJCCIUSQQY-RJAOAUJVSA-N 1 2 284.425 1.273 20 30 CDEDLO CN(C)C(=S)NN=C1CCCc2[nH+]c(N)ccc21 ZINC000834957017 725347416 /nfs/dbraw/zinc/34/74/16/725347416.db2.gz RSMBTPOQTYNYGR-UHFFFAOYSA-N 1 2 263.370 1.140 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2ccco2)C1 ZINC001073503630 725352789 /nfs/dbraw/zinc/35/27/89/725352789.db2.gz KQUQICRCTIVXQU-GFCCVEGCSA-N 1 2 298.770 1.853 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2ccco2)C1 ZINC001073503630 725352792 /nfs/dbraw/zinc/35/27/92/725352792.db2.gz KQUQICRCTIVXQU-GFCCVEGCSA-N 1 2 298.770 1.853 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1csc([C@H](C)OC)n1 ZINC001038254033 725365001 /nfs/dbraw/zinc/36/50/01/725365001.db2.gz QDYOPIUNOWHCRF-WDEREUQCSA-N 1 2 293.392 1.288 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1csc([C@H](C)OC)n1 ZINC001038254033 725365003 /nfs/dbraw/zinc/36/50/03/725365003.db2.gz QDYOPIUNOWHCRF-WDEREUQCSA-N 1 2 293.392 1.288 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCC[C@@H]2C(F)F)C1 ZINC001030439459 725372150 /nfs/dbraw/zinc/37/21/50/725372150.db2.gz DUDHYQAHVBUTLY-NWDGAFQWSA-N 1 2 270.323 1.492 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC23CC3)C1 ZINC001035520394 725372682 /nfs/dbraw/zinc/37/26/82/725372682.db2.gz BANFLKVYHIUKDO-STQMWFEESA-N 1 2 264.369 1.180 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[C@]1(C)CC)CCO2 ZINC001053490218 725376745 /nfs/dbraw/zinc/37/67/45/725376745.db2.gz APTGARHUYAPUNY-ZBFHGGJFSA-N 1 2 292.423 1.912 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(OC)CCC(C)CC1 ZINC000794024821 725378642 /nfs/dbraw/zinc/37/86/42/725378642.db2.gz MXVPROVMZHOMRM-CKDBGZEDSA-N 1 2 292.423 1.796 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(OC)CCC(C)CC1 ZINC000794024821 725378644 /nfs/dbraw/zinc/37/86/44/725378644.db2.gz MXVPROVMZHOMRM-CKDBGZEDSA-N 1 2 292.423 1.796 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccoc2Cl)C1 ZINC001035348808 725384218 /nfs/dbraw/zinc/38/42/18/725384218.db2.gz BOXNILSYIKMTCN-NSHDSACASA-N 1 2 298.770 1.940 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccoc2Cl)C1 ZINC001035348808 725384221 /nfs/dbraw/zinc/38/42/21/725384221.db2.gz BOXNILSYIKMTCN-NSHDSACASA-N 1 2 298.770 1.940 20 30 CDEDLO Cc1nc(NC[C@H]2CCCCN2C(=O)C#CC2CC2)cc[nH+]1 ZINC001060247592 725384683 /nfs/dbraw/zinc/38/46/83/725384683.db2.gz IXPCXCWNBUMHQW-OAHLLOKOSA-N 1 2 298.390 1.991 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCO[C@@H](C(C)C)C2)C1 ZINC001031207985 725389449 /nfs/dbraw/zinc/38/94/49/725389449.db2.gz QIGNKQGRANGWIY-UKRRQHHQSA-N 1 2 278.396 1.261 20 30 CDEDLO C=CCNC(=S)N[NH+]=Cc1ccc(N(C)CC)nc1 ZINC000790144677 725398911 /nfs/dbraw/zinc/39/89/11/725398911.db2.gz XRCDZRRXXALZMH-UHFFFAOYSA-N 1 2 277.397 1.522 20 30 CDEDLO NC(Cc1ccccc1)=[NH+]OCC(=O)NCc1ccccc1 ZINC000071939143 725400124 /nfs/dbraw/zinc/40/01/24/725400124.db2.gz SBZSRJGPYZWJSX-UHFFFAOYSA-N 1 2 297.358 1.834 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001051143145 725400131 /nfs/dbraw/zinc/40/01/31/725400131.db2.gz WUOXFPNJDVOSJN-UONOGXRCSA-N 1 2 278.396 1.570 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001051143145 725400136 /nfs/dbraw/zinc/40/01/36/725400136.db2.gz WUOXFPNJDVOSJN-UONOGXRCSA-N 1 2 278.396 1.570 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)nn1C ZINC001027777847 725407244 /nfs/dbraw/zinc/40/72/44/725407244.db2.gz LFHZFTHQVMGUOD-LBPRGKRZSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)nn1C ZINC001027777847 725407245 /nfs/dbraw/zinc/40/72/45/725407245.db2.gz LFHZFTHQVMGUOD-LBPRGKRZSA-N 1 2 296.802 1.675 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1cn(-c2ccccc2C)nn1)[C@H]1CCCO1 ZINC000808407457 725407601 /nfs/dbraw/zinc/40/76/01/725407601.db2.gz ZFXBSDPXDNRMPO-NVXWUHKLSA-N 1 2 296.374 1.846 20 30 CDEDLO CON=Cc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000255422241 725409963 /nfs/dbraw/zinc/40/99/63/725409963.db2.gz FROWUPBVUBVADW-UHFFFAOYSA-N 1 2 286.335 1.684 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C#Cc1ccccc1 ZINC000874705441 725410888 /nfs/dbraw/zinc/41/08/88/725410888.db2.gz VVMCMUAJVUYUFB-INIZCTEOSA-N 1 2 286.375 1.265 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)C#Cc1ccccc1 ZINC000874705441 725410889 /nfs/dbraw/zinc/41/08/89/725410889.db2.gz VVMCMUAJVUYUFB-INIZCTEOSA-N 1 2 286.375 1.265 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001014464826 725412157 /nfs/dbraw/zinc/41/21/57/725412157.db2.gz YHMLDTVWMOBOKT-MCIONIFRSA-N 1 2 298.814 1.911 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001014464826 725412158 /nfs/dbraw/zinc/41/21/58/725412158.db2.gz YHMLDTVWMOBOKT-MCIONIFRSA-N 1 2 298.814 1.911 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]cnc1C(C)(C)C ZINC001032411419 725413365 /nfs/dbraw/zinc/41/33/65/725413365.db2.gz NSGFNCODMMTTGV-RYUDHWBXSA-N 1 2 286.379 1.239 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]cnc1C(C)(C)C ZINC001032411419 725413366 /nfs/dbraw/zinc/41/33/66/725413366.db2.gz NSGFNCODMMTTGV-RYUDHWBXSA-N 1 2 286.379 1.239 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2cc3cnccc3o2)C1 ZINC001030617883 725416121 /nfs/dbraw/zinc/41/61/21/725416121.db2.gz RBFGAIYVEBBWPE-UHFFFAOYSA-N 1 2 271.320 1.818 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)c2cccnc12 ZINC001038527390 725416296 /nfs/dbraw/zinc/41/62/96/725416296.db2.gz KECWTUWAOOCKJR-CQSZACIVSA-N 1 2 293.370 1.981 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)c2cccnc12 ZINC001038527390 725416297 /nfs/dbraw/zinc/41/62/97/725416297.db2.gz KECWTUWAOOCKJR-CQSZACIVSA-N 1 2 293.370 1.981 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1occ2c1CCC2 ZINC001038564897 725418508 /nfs/dbraw/zinc/41/85/08/725418508.db2.gz WBDMYMXEHRXIHO-GFCCVEGCSA-N 1 2 260.337 1.758 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1occ2c1CCC2 ZINC001038564897 725418509 /nfs/dbraw/zinc/41/85/09/725418509.db2.gz WBDMYMXEHRXIHO-GFCCVEGCSA-N 1 2 260.337 1.758 20 30 CDEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccsc2Cl)C1 ZINC001047551610 725434091 /nfs/dbraw/zinc/43/40/91/725434091.db2.gz SONBIEKYNFFKLI-QWRGUYRKSA-N 1 2 298.795 1.152 20 30 CDEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccsc2Cl)C1 ZINC001047551610 725434094 /nfs/dbraw/zinc/43/40/94/725434094.db2.gz SONBIEKYNFFKLI-QWRGUYRKSA-N 1 2 298.795 1.152 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCn2nccc21 ZINC001017671285 725453248 /nfs/dbraw/zinc/45/32/48/725453248.db2.gz QSQZKFJWFBRUSU-ZNMIVQPWSA-N 1 2 298.390 1.069 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCn2nccc21 ZINC001017671285 725453250 /nfs/dbraw/zinc/45/32/50/725453250.db2.gz QSQZKFJWFBRUSU-ZNMIVQPWSA-N 1 2 298.390 1.069 20 30 CDEDLO N#C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CCCC1 ZINC000921550399 725482484 /nfs/dbraw/zinc/48/24/84/725482484.db2.gz JVCIWRKTYSZLQS-OCCSQVGLSA-N 1 2 272.352 1.644 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(OC)ns2)[C@H]1C ZINC000993371521 725499675 /nfs/dbraw/zinc/49/96/75/725499675.db2.gz ZOWZQMBJAIVOAQ-MNOVXSKESA-N 1 2 293.392 1.368 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(OC)ns2)[C@H]1C ZINC000993371521 725499679 /nfs/dbraw/zinc/49/96/79/725499679.db2.gz ZOWZQMBJAIVOAQ-MNOVXSKESA-N 1 2 293.392 1.368 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cncc2sccc21 ZINC001038634949 725509573 /nfs/dbraw/zinc/50/95/73/725509573.db2.gz NJIODEDSXHZWIF-LLVKDONJSA-N 1 2 285.372 1.734 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncc2sccc21 ZINC001038634949 725509578 /nfs/dbraw/zinc/50/95/78/725509578.db2.gz NJIODEDSXHZWIF-LLVKDONJSA-N 1 2 285.372 1.734 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCc2cccnc2)cc1 ZINC000193576498 725516359 /nfs/dbraw/zinc/51/63/59/725516359.db2.gz RHSCVZSMQZKAOP-UHFFFAOYSA-N 1 2 257.293 1.927 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001031619082 725594807 /nfs/dbraw/zinc/59/48/07/725594807.db2.gz JCIPVYUVQIMXKP-UHFFFAOYSA-N 1 2 278.743 1.300 20 30 CDEDLO Cc1nc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)c(C)o1 ZINC000971209271 725605696 /nfs/dbraw/zinc/60/56/96/725605696.db2.gz BZGMRUADOWRINH-GWCFXTLKSA-N 1 2 290.367 1.484 20 30 CDEDLO Cc1nc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)c(C)o1 ZINC000971209271 725605703 /nfs/dbraw/zinc/60/57/03/725605703.db2.gz BZGMRUADOWRINH-GWCFXTLKSA-N 1 2 290.367 1.484 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ncccc1C(F)(F)F ZINC001038875685 725609235 /nfs/dbraw/zinc/60/92/35/725609235.db2.gz YBDJRWVYVJSKQX-JTQLQIEISA-N 1 2 297.280 1.538 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncccc1C(F)(F)F ZINC001038875685 725609241 /nfs/dbraw/zinc/60/92/41/725609241.db2.gz YBDJRWVYVJSKQX-JTQLQIEISA-N 1 2 297.280 1.538 20 30 CDEDLO COc1c(O)c(C[NH2+]CC2(C#N)CC2)ccc1[N+](=O)[O-] ZINC000797605649 725616537 /nfs/dbraw/zinc/61/65/37/725616537.db2.gz UKRZHGQKBHJXQG-UHFFFAOYSA-N 1 2 277.280 1.702 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)noc1C ZINC001038062316 725628873 /nfs/dbraw/zinc/62/88/73/725628873.db2.gz FECPHJXYRUEKHM-LBPRGKRZSA-N 1 2 261.325 1.119 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)noc1C ZINC001038062316 725628878 /nfs/dbraw/zinc/62/88/78/725628878.db2.gz FECPHJXYRUEKHM-LBPRGKRZSA-N 1 2 261.325 1.119 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cc(C)n[nH]2)C1 ZINC001007081460 725632018 /nfs/dbraw/zinc/63/20/18/725632018.db2.gz YCVMSDGMUNRLKV-LBPRGKRZSA-N 1 2 296.802 1.594 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cc(C)n[nH]2)C1 ZINC001007081460 725632022 /nfs/dbraw/zinc/63/20/22/725632022.db2.gz YCVMSDGMUNRLKV-LBPRGKRZSA-N 1 2 296.802 1.594 20 30 CDEDLO Cc1ccn(C[NH+]2CCC3(CCO3)CC2)c(=O)c1C#N ZINC000799957699 725636320 /nfs/dbraw/zinc/63/63/20/725636320.db2.gz VGJGSEOFGMUGTG-UHFFFAOYSA-N 1 2 273.336 1.241 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C)c1F ZINC001038284480 725676992 /nfs/dbraw/zinc/67/69/92/725676992.db2.gz KONGAKFOCCSDJV-CYBMUJFWSA-N 1 2 274.339 1.962 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C)c1F ZINC001038284480 725676999 /nfs/dbraw/zinc/67/69/99/725676999.db2.gz KONGAKFOCCSDJV-CYBMUJFWSA-N 1 2 274.339 1.962 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)cs1 ZINC001038234004 725682538 /nfs/dbraw/zinc/68/25/38/725682538.db2.gz IRLKOYFEFUZMNX-GFCCVEGCSA-N 1 2 262.378 1.884 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)cs1 ZINC001038234004 725682543 /nfs/dbraw/zinc/68/25/43/725682543.db2.gz IRLKOYFEFUZMNX-GFCCVEGCSA-N 1 2 262.378 1.884 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cc1c(C)nn(C)c1Cl ZINC000852751412 725697570 /nfs/dbraw/zinc/69/75/70/725697570.db2.gz BHAROMOFUBKHCT-UHFFFAOYSA-N 1 2 269.776 1.854 20 30 CDEDLO C#CCC[N@H+](CCOC)Cc1c(C)nn(C)c1Cl ZINC000852751412 725697577 /nfs/dbraw/zinc/69/75/77/725697577.db2.gz BHAROMOFUBKHCT-UHFFFAOYSA-N 1 2 269.776 1.854 20 30 CDEDLO CC(C)[C@@]1(C)NC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853525951 725703978 /nfs/dbraw/zinc/70/39/78/725703978.db2.gz KXLAZSNYFGQOCK-SWLSCSKDSA-N 1 2 292.383 1.536 20 30 CDEDLO CC(C)[C@@]1(C)NC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853525951 725703989 /nfs/dbraw/zinc/70/39/89/725703989.db2.gz KXLAZSNYFGQOCK-SWLSCSKDSA-N 1 2 292.383 1.536 20 30 CDEDLO N#CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024487088 725704135 /nfs/dbraw/zinc/70/41/35/725704135.db2.gz LPMZRZBMWJLYPS-YNEHKIRRSA-N 1 2 287.367 1.007 20 30 CDEDLO N#CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024487088 725704141 /nfs/dbraw/zinc/70/41/41/725704141.db2.gz LPMZRZBMWJLYPS-YNEHKIRRSA-N 1 2 287.367 1.007 20 30 CDEDLO C=CCOCC(=O)N1CC[NH2+][C@H](c2cccc(OC)c2)C1 ZINC000870149822 725706655 /nfs/dbraw/zinc/70/66/55/725706655.db2.gz NGUZYIINSFDMGQ-HNNXBMFYSA-N 1 2 290.363 1.371 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnnn2C)[C@@H]1C ZINC000993278084 725900288 /nfs/dbraw/zinc/90/02/88/725900288.db2.gz GXTLMOYUAKPPTE-WDEREUQCSA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnnn2C)[C@@H]1C ZINC000993278084 725900289 /nfs/dbraw/zinc/90/02/89/725900289.db2.gz GXTLMOYUAKPPTE-WDEREUQCSA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)CCC)C2)CC1 ZINC001051971102 725924734 /nfs/dbraw/zinc/92/47/34/725924734.db2.gz PUDPRDOBZRDIEV-AWEZNQCLSA-N 1 2 299.846 1.758 20 30 CDEDLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000882764259 725935231 /nfs/dbraw/zinc/93/52/31/725935231.db2.gz OJTQUMMXZYKCGQ-LLVKDONJSA-N 1 2 297.355 1.070 20 30 CDEDLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000882764259 725935232 /nfs/dbraw/zinc/93/52/32/725935232.db2.gz OJTQUMMXZYKCGQ-LLVKDONJSA-N 1 2 297.355 1.070 20 30 CDEDLO C=CCN(Cc1cc(C)cc(C)[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000929974741 725939560 /nfs/dbraw/zinc/93/95/60/725939560.db2.gz ADQYVTRKRRMPPI-OAHLLOKOSA-N 1 2 294.420 1.874 20 30 CDEDLO C#CC[C@@H](CCOC)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000859025625 725963412 /nfs/dbraw/zinc/96/34/12/725963412.db2.gz WIBSSPHREVQTET-AWEZNQCLSA-N 1 2 292.383 1.343 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001031295186 726000259 /nfs/dbraw/zinc/00/02/59/726000259.db2.gz RUKPPYPKQRBQRF-UHFFFAOYSA-N 1 2 298.346 1.326 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1CC ZINC001032381165 726008112 /nfs/dbraw/zinc/00/81/12/726008112.db2.gz ORQDPLYUEVVWAZ-RYUDHWBXSA-N 1 2 258.321 1.374 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1CC ZINC001032381165 726008113 /nfs/dbraw/zinc/00/81/13/726008113.db2.gz ORQDPLYUEVVWAZ-RYUDHWBXSA-N 1 2 258.321 1.374 20 30 CDEDLO N#Cc1cncc(NCc2ccn3cc[nH+]c3c2)n1 ZINC001642427779 1167174727 /nfs/dbraw/zinc/17/47/27/1167174727.db2.gz WLJBSYRLGFYWDK-UHFFFAOYSA-N 1 2 250.265 1.608 20 30 CDEDLO CC[C@@H](F)C[N@@H+]1C[C@H]2OCCN(C(=O)C#CC(C)C)[C@H]2C1 ZINC001217852584 1167374051 /nfs/dbraw/zinc/37/40/51/1167374051.db2.gz MODLABLLJZTQCC-QLFBSQMISA-N 1 2 296.386 1.306 20 30 CDEDLO CC[C@@H](F)C[N@H+]1C[C@H]2OCCN(C(=O)C#CC(C)C)[C@H]2C1 ZINC001217852584 1167374057 /nfs/dbraw/zinc/37/40/57/1167374057.db2.gz MODLABLLJZTQCC-QLFBSQMISA-N 1 2 296.386 1.306 20 30 CDEDLO COc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1OCC(N)=O ZINC001645644500 1167447966 /nfs/dbraw/zinc/44/79/66/1167447966.db2.gz DVCUPBPVXJPWOO-NSHDSACASA-N 1 2 291.351 1.151 20 30 CDEDLO COc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1OCC(N)=O ZINC001645644500 1167447970 /nfs/dbraw/zinc/44/79/70/1167447970.db2.gz DVCUPBPVXJPWOO-NSHDSACASA-N 1 2 291.351 1.151 20 30 CDEDLO Cc1ccccc1C[NH+]1CC(NC(=O)[C@@H](C)C#N)C1 ZINC001567785935 1168069429 /nfs/dbraw/zinc/06/94/29/1168069429.db2.gz DBYFBBXHPILLLZ-LBPRGKRZSA-N 1 2 257.337 1.455 20 30 CDEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc(C)c1C)C2 ZINC001095244757 912685814 /nfs/dbraw/zinc/68/58/14/912685814.db2.gz SUTLAWPFGKTREV-AGIUHOORSA-N 1 2 274.368 1.548 20 30 CDEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc(C)c1C)C2 ZINC001095244757 912685815 /nfs/dbraw/zinc/68/58/15/912685815.db2.gz SUTLAWPFGKTREV-AGIUHOORSA-N 1 2 274.368 1.548 20 30 CDEDLO N#CC1([NH2+][C@@H]2CCC[C@H](n3ncnn3)C2)CCCCC1 ZINC001173743814 912777775 /nfs/dbraw/zinc/77/77/75/912777775.db2.gz RGQVLYHUBUGNAG-OLZOCXBDSA-N 1 2 274.372 1.973 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cc1ccoc1 ZINC001567277596 1168635385 /nfs/dbraw/zinc/63/53/85/1168635385.db2.gz HHBOKNMSOCLUAZ-UHFFFAOYSA-N 1 2 256.733 1.623 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cc1ccoc1 ZINC001567277596 1168635390 /nfs/dbraw/zinc/63/53/90/1168635390.db2.gz HHBOKNMSOCLUAZ-UHFFFAOYSA-N 1 2 256.733 1.623 20 30 CDEDLO C=C(C)CN1CC2(C[NH+](CCCSC)C2)OCC1=O ZINC001272464525 913159899 /nfs/dbraw/zinc/15/98/99/913159899.db2.gz SMGLEYTXWCZHET-UHFFFAOYSA-N 1 2 284.425 1.229 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC23CC(OCC)C3)C1 ZINC001030952963 913271214 /nfs/dbraw/zinc/27/12/14/913271214.db2.gz BJVHGVHITIDLDC-BBBYJDLNSA-N 1 2 278.396 1.568 20 30 CDEDLO C#CCOCCC(=O)N(C)C[C@H]1CC[N@@H+]1C/C=C/Cl ZINC001234246852 913412242 /nfs/dbraw/zinc/41/22/42/913412242.db2.gz TYPZDKVCMWDPMZ-WXJAXGNASA-N 1 2 284.787 1.312 20 30 CDEDLO C#CCOCCC(=O)N(C)C[C@H]1CC[N@H+]1C/C=C/Cl ZINC001234246852 913412250 /nfs/dbraw/zinc/41/22/50/913412250.db2.gz TYPZDKVCMWDPMZ-WXJAXGNASA-N 1 2 284.787 1.312 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@@](N)(C(F)(F)F)C2)c(O)c1 ZINC001206244455 913506556 /nfs/dbraw/zinc/50/65/56/913506556.db2.gz KDJPUTYXIQSTKL-LBPRGKRZSA-N 1 2 285.269 1.729 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@](N)(C(F)(F)F)C2)c(O)c1 ZINC001206244455 913506572 /nfs/dbraw/zinc/50/65/72/913506572.db2.gz KDJPUTYXIQSTKL-LBPRGKRZSA-N 1 2 285.269 1.729 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2cccc(O)c2)CC1 ZINC000588416903 895973816 /nfs/dbraw/zinc/97/38/16/895973816.db2.gz HBIDUNNMFVFUDH-SREVYHEPSA-N 1 2 270.332 1.183 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C[C@H](C)OC ZINC001267237836 897270006 /nfs/dbraw/zinc/27/00/06/897270006.db2.gz AAFNKOPRNWKLJF-NSHDSACASA-N 1 2 262.781 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C[C@H](C)OC ZINC001267237836 897270021 /nfs/dbraw/zinc/27/00/21/897270021.db2.gz AAFNKOPRNWKLJF-NSHDSACASA-N 1 2 262.781 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnc(C)cn1 ZINC001480959634 898309275 /nfs/dbraw/zinc/30/92/75/898309275.db2.gz UKJYXPKDDICCSL-UHFFFAOYSA-N 1 2 282.775 1.589 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnc(C)cn1 ZINC001480959634 898309285 /nfs/dbraw/zinc/30/92/85/898309285.db2.gz UKJYXPKDDICCSL-UHFFFAOYSA-N 1 2 282.775 1.589 20 30 CDEDLO C#CCCC1(CCNC(=O)CCn2cc[nH+]c2)N=N1 ZINC001176884211 914334313 /nfs/dbraw/zinc/33/43/13/914334313.db2.gz XTVUYETYMRRDHH-UHFFFAOYSA-N 1 2 259.313 1.355 20 30 CDEDLO C#CCCCC(=O)NCC1CC[NH+](Cc2cnon2)CC1 ZINC001223013247 900771819 /nfs/dbraw/zinc/77/18/19/900771819.db2.gz WDPWHWDWTISHPF-UHFFFAOYSA-N 1 2 290.367 1.201 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccn2C(C)C)C1 ZINC001031395904 914601728 /nfs/dbraw/zinc/60/17/28/914601728.db2.gz UDKOFFJCBKRRON-UHFFFAOYSA-N 1 2 259.353 1.506 20 30 CDEDLO Cc1ncsc1C[NH+]1CC2(CN(C(=O)CCS)C2)C1 ZINC001268959453 903264665 /nfs/dbraw/zinc/26/46/65/903264665.db2.gz CMDLWCXBLZKPNM-UHFFFAOYSA-N 1 2 297.449 1.416 20 30 CDEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)/C(C)=C\C)c2C1 ZINC001128322255 921268353 /nfs/dbraw/zinc/26/83/53/921268353.db2.gz YAJFMHRCEZSZDX-ACAGNQJTSA-N 1 2 288.395 1.857 20 30 CDEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)/C(C)=C\C)c2C1 ZINC001128322255 921268357 /nfs/dbraw/zinc/26/83/57/921268357.db2.gz YAJFMHRCEZSZDX-ACAGNQJTSA-N 1 2 288.395 1.857 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+][C@@H](C)c1nc(COC)no1 ZINC001128409221 921297072 /nfs/dbraw/zinc/29/70/72/921297072.db2.gz YHRVAQHMQRZUBU-NSHDSACASA-N 1 2 296.371 1.339 20 30 CDEDLO CC(C)C#CC(=O)NCC[NH2+]Cc1nc(C2CCC2)no1 ZINC001126815378 909295367 /nfs/dbraw/zinc/29/53/67/909295367.db2.gz BMVIWBBHFKYVQF-UHFFFAOYSA-N 1 2 290.367 1.202 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]nnc2C)[C@H]1C ZINC001088788125 909429617 /nfs/dbraw/zinc/42/96/17/909429617.db2.gz ULIHGNMDMGAIOD-ZJUUUORDSA-N 1 2 283.763 1.058 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]nnc2C)[C@H]1C ZINC001088788125 909429623 /nfs/dbraw/zinc/42/96/23/909429623.db2.gz ULIHGNMDMGAIOD-ZJUUUORDSA-N 1 2 283.763 1.058 20 30 CDEDLO Cc1nc(NC2CC(N(C)C(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001126876126 909481771 /nfs/dbraw/zinc/48/17/71/909481771.db2.gz CTLYYRWEIMALCS-GCVQQVDUSA-N 1 2 273.340 1.346 20 30 CDEDLO C=CCOCCCC(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093570677 909970586 /nfs/dbraw/zinc/97/05/86/909970586.db2.gz VSKNINPQHYHUIL-UHFFFAOYSA-N 1 2 278.356 1.296 20 30 CDEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C3CCCC3)nn2)C1 ZINC001094270190 910424121 /nfs/dbraw/zinc/42/41/21/910424121.db2.gz LUCIAJFIRKNHNC-UHFFFAOYSA-N 1 2 289.383 1.127 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172216508 911450213 /nfs/dbraw/zinc/45/02/13/911450213.db2.gz LKLJRRJNDJCLGN-GYIHNLGQSA-N 1 2 259.371 1.148 20 30 CDEDLO C[C@H](C#N)N(C)C1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC001172894611 912051282 /nfs/dbraw/zinc/05/12/82/912051282.db2.gz SYGGFCJXPGQVAP-GFCCVEGCSA-N 1 2 281.400 1.636 20 30 CDEDLO C[C@H]([NH2+]Cc1nnnn1C1CC1)c1ccc(OCC#N)cc1 ZINC000775336570 921755943 /nfs/dbraw/zinc/75/59/43/921755943.db2.gz LRBQYSUBCKLBGM-NSHDSACASA-N 1 2 298.350 1.761 20 30 CDEDLO C=CCCCC(=O)N1CC[C@H]([NH2+]Cc2cnsn2)[C@@H]1C ZINC001179455078 915840626 /nfs/dbraw/zinc/84/06/26/915840626.db2.gz QPOKJSGJBWTUFJ-AAEUAGOBSA-N 1 2 294.424 1.973 20 30 CDEDLO C=CCCC(=O)NCC[NH2+][C@H](C)c1nc(C2CC2)no1 ZINC001124655368 936329315 /nfs/dbraw/zinc/32/93/15/936329315.db2.gz BPCCYSXPKCDQKV-SNVBAGLBSA-N 1 2 278.356 1.680 20 30 CDEDLO Cc1ncc(C#N)cc1NC(=O)Cc1cc[nH+]c(N)c1 ZINC001181240737 916908194 /nfs/dbraw/zinc/90/81/94/916908194.db2.gz RFZOIFGNIUXCPU-UHFFFAOYSA-N 1 2 267.292 1.420 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC[NH2+]Cc1ncc(CC)o1 ZINC001124483248 917395705 /nfs/dbraw/zinc/39/57/05/917395705.db2.gz LNZUHZXJWPDTKY-GFCCVEGCSA-N 1 2 295.383 1.424 20 30 CDEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](F)CC)nn2)C1 ZINC001107194317 918250479 /nfs/dbraw/zinc/25/04/79/918250479.db2.gz QOVCDNMCHXXURG-CYBMUJFWSA-N 1 2 295.362 1.075 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2cccs2)C1 ZINC001107693847 918624710 /nfs/dbraw/zinc/62/47/10/918624710.db2.gz CAOMGGQENHSNBT-HNNXBMFYSA-N 1 2 294.420 1.684 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2cccs2)C1 ZINC001107693847 918624717 /nfs/dbraw/zinc/62/47/17/918624717.db2.gz CAOMGGQENHSNBT-HNNXBMFYSA-N 1 2 294.420 1.684 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCSC)C1 ZINC001107722948 918685927 /nfs/dbraw/zinc/68/59/27/918685927.db2.gz RAVATMTVVUYHKX-CYBMUJFWSA-N 1 2 272.414 1.133 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCSC)C1 ZINC001107722948 918685919 /nfs/dbraw/zinc/68/59/19/918685919.db2.gz RAVATMTVVUYHKX-CYBMUJFWSA-N 1 2 272.414 1.133 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCC(C)C)C1 ZINC001107723883 918692981 /nfs/dbraw/zinc/69/29/81/918692981.db2.gz DKWDNHGDZSLOCZ-MRXNPFEDSA-N 1 2 280.412 1.653 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCC(C)C)C1 ZINC001107723883 918692995 /nfs/dbraw/zinc/69/29/95/918692995.db2.gz DKWDNHGDZSLOCZ-MRXNPFEDSA-N 1 2 280.412 1.653 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001107731208 918707583 /nfs/dbraw/zinc/70/75/83/918707583.db2.gz LHUWXUMLCWYCJB-GDBMZVCRSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001107731208 918707597 /nfs/dbraw/zinc/70/75/97/918707597.db2.gz LHUWXUMLCWYCJB-GDBMZVCRSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)n2cccc2)C1 ZINC001107874398 918956823 /nfs/dbraw/zinc/95/68/23/918956823.db2.gz OLUABCSAGZIPHN-ZBFHGGJFSA-N 1 2 291.395 1.442 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)n2cccc2)C1 ZINC001107874398 918956835 /nfs/dbraw/zinc/95/68/35/918956835.db2.gz OLUABCSAGZIPHN-ZBFHGGJFSA-N 1 2 291.395 1.442 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)/C=C(\C)CC)C1 ZINC001107923605 919048282 /nfs/dbraw/zinc/04/82/82/919048282.db2.gz GOMMTNUYIDGKBB-NRMKIYEFSA-N 1 2 266.385 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)/C=C(\C)CC)C1 ZINC001107923605 919048294 /nfs/dbraw/zinc/04/82/94/919048294.db2.gz GOMMTNUYIDGKBB-NRMKIYEFSA-N 1 2 266.385 1.736 20 30 CDEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001078125666 920118616 /nfs/dbraw/zinc/11/86/16/920118616.db2.gz VIVLWZBJEHPSOK-CHWSQXEVSA-N 1 2 286.331 1.394 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001078125666 920118626 /nfs/dbraw/zinc/11/86/26/920118626.db2.gz VIVLWZBJEHPSOK-CHWSQXEVSA-N 1 2 286.331 1.394 20 30 CDEDLO C[N@H+](CCN1CCOCC1)Cc1cccc(Cl)c1C#N ZINC001139688910 936635469 /nfs/dbraw/zinc/63/54/69/936635469.db2.gz CNWYCIOFAXMVBS-UHFFFAOYSA-N 1 2 293.798 1.976 20 30 CDEDLO C[N@@H+](CCN1CCOCC1)Cc1cccc(Cl)c1C#N ZINC001139688910 936635470 /nfs/dbraw/zinc/63/54/70/936635470.db2.gz CNWYCIOFAXMVBS-UHFFFAOYSA-N 1 2 293.798 1.976 20 30 CDEDLO CN(CC[NH+]1CCOCC1)Cc1cccc(Cl)c1C#N ZINC001139688910 936635472 /nfs/dbraw/zinc/63/54/72/936635472.db2.gz CNWYCIOFAXMVBS-UHFFFAOYSA-N 1 2 293.798 1.976 20 30 CDEDLO N#Cc1cccc2c(C[N@H+]3CC(=O)N4CCC[C@H]4C3)c[nH]c21 ZINC001139705800 936638599 /nfs/dbraw/zinc/63/85/99/936638599.db2.gz FECSZKZMMMKOTM-AWEZNQCLSA-N 1 2 294.358 1.846 20 30 CDEDLO N#Cc1cccc2c(C[N@@H+]3CC(=O)N4CCC[C@H]4C3)c[nH]c21 ZINC001139705800 936638601 /nfs/dbraw/zinc/63/86/01/936638601.db2.gz FECSZKZMMMKOTM-AWEZNQCLSA-N 1 2 294.358 1.846 20 30 CDEDLO C=CCn1cc(C[NH+]2CCN(CCC#N)CC2)cn1 ZINC001139770725 936645109 /nfs/dbraw/zinc/64/51/09/936645109.db2.gz YRIWFEXSEUKAHP-UHFFFAOYSA-N 1 2 259.357 1.100 20 30 CDEDLO C=CCn1cc(C[NH+]2CC3(C2)CCN(C(C)=O)C3)cn1 ZINC001139771522 936645662 /nfs/dbraw/zinc/64/56/62/936645662.db2.gz GKXHQDXTZYCUDZ-UHFFFAOYSA-N 1 2 274.368 1.123 20 30 CDEDLO N#C[C@@H]1COCCN1C(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190097235 921823995 /nfs/dbraw/zinc/82/39/95/921823995.db2.gz LWIZOBHWRLYRHC-GFCCVEGCSA-N 1 2 282.303 1.237 20 30 CDEDLO C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190269687 921945005 /nfs/dbraw/zinc/94/50/05/921945005.db2.gz KOGDHPUSHGNSOA-UWVGGRQHSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CCC[N@H+](C)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190269687 921945019 /nfs/dbraw/zinc/94/50/19/921945019.db2.gz KOGDHPUSHGNSOA-UWVGGRQHSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001190269687 921945030 /nfs/dbraw/zinc/94/50/30/921945030.db2.gz KOGDHPUSHGNSOA-UWVGGRQHSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001190269687 921945041 /nfs/dbraw/zinc/94/50/41/921945041.db2.gz KOGDHPUSHGNSOA-UWVGGRQHSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC(C)C)C[C@@H]21 ZINC001074148460 936734213 /nfs/dbraw/zinc/73/42/13/936734213.db2.gz VOGVFPLHBPTFKD-LSDHHAIUSA-N 1 2 278.396 1.358 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC(C)C)C[C@@H]21 ZINC001074148460 936734214 /nfs/dbraw/zinc/73/42/14/936734214.db2.gz VOGVFPLHBPTFKD-LSDHHAIUSA-N 1 2 278.396 1.358 20 30 CDEDLO CS(=O)(=O)CCNc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001162320926 922280370 /nfs/dbraw/zinc/28/03/70/922280370.db2.gz WVIDDEJJWYHKGB-UHFFFAOYSA-N 1 2 265.338 1.093 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](F)CC)C1 ZINC001108121599 922553654 /nfs/dbraw/zinc/55/36/54/922553654.db2.gz CONOGPDWALWHGC-YPMHNXCESA-N 1 2 258.337 1.128 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](F)CC)C1 ZINC001108121599 922553669 /nfs/dbraw/zinc/55/36/69/922553669.db2.gz CONOGPDWALWHGC-YPMHNXCESA-N 1 2 258.337 1.128 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCC)[C@@H](O)C1 ZINC001099681050 922771948 /nfs/dbraw/zinc/77/19/48/922771948.db2.gz KNZVTFLZDRAUAX-NEPJUHHUSA-N 1 2 274.792 1.481 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCC)[C@@H](O)C1 ZINC001099681050 922771961 /nfs/dbraw/zinc/77/19/61/922771961.db2.gz KNZVTFLZDRAUAX-NEPJUHHUSA-N 1 2 274.792 1.481 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC(F)F)[C@@H](O)C1 ZINC001099918171 936819300 /nfs/dbraw/zinc/81/93/00/936819300.db2.gz HRNIZAZUXVOYCM-UWVGGRQHSA-N 1 2 296.745 1.336 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC(F)F)[C@@H](O)C1 ZINC001099918171 936819302 /nfs/dbraw/zinc/81/93/02/936819302.db2.gz HRNIZAZUXVOYCM-UWVGGRQHSA-N 1 2 296.745 1.336 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC(C)(F)F)C1 ZINC001108189641 924089119 /nfs/dbraw/zinc/08/91/19/924089119.db2.gz GNCSVOHSDSEOQC-LBPRGKRZSA-N 1 2 276.327 1.425 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CC(C)(F)F)C1 ZINC001108189641 924089135 /nfs/dbraw/zinc/08/91/35/924089135.db2.gz GNCSVOHSDSEOQC-LBPRGKRZSA-N 1 2 276.327 1.425 20 30 CDEDLO C=CCCC(=O)N1CCC[N@@H+](Cc2cnc(C)cn2)CC1 ZINC001195232360 924497497 /nfs/dbraw/zinc/49/74/97/924497497.db2.gz JHXDNFLXOMLXGA-UHFFFAOYSA-N 1 2 288.395 1.786 20 30 CDEDLO C=CCCC(=O)N1CCC[N@H+](Cc2cnc(C)cn2)CC1 ZINC001195232360 924497500 /nfs/dbraw/zinc/49/75/00/924497500.db2.gz JHXDNFLXOMLXGA-UHFFFAOYSA-N 1 2 288.395 1.786 20 30 CDEDLO CC(C)(C)C#CC(=O)N1CCC[N@H+](CCF)CC1 ZINC001195785240 924730706 /nfs/dbraw/zinc/73/07/06/924730706.db2.gz HRTSCJXHDHNMDP-UHFFFAOYSA-N 1 2 254.349 1.540 20 30 CDEDLO CC(C)(C)C#CC(=O)N1CCC[N@@H+](CCF)CC1 ZINC001195785240 924730713 /nfs/dbraw/zinc/73/07/13/924730713.db2.gz HRTSCJXHDHNMDP-UHFFFAOYSA-N 1 2 254.349 1.540 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)CCC(=C)C)CC1 ZINC001196003558 924779464 /nfs/dbraw/zinc/77/94/64/924779464.db2.gz MCTSTRHJOTVXJQ-UHFFFAOYSA-N 1 2 293.411 1.179 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)CCC(=C)C)CC1 ZINC001196003558 924779472 /nfs/dbraw/zinc/77/94/72/924779472.db2.gz MCTSTRHJOTVXJQ-UHFFFAOYSA-N 1 2 293.411 1.179 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C)CCCCC2)[C@H](OC)C1 ZINC001082095719 924855445 /nfs/dbraw/zinc/85/54/45/924855445.db2.gz FTIYFFJZHRIETF-ZIAGYGMSSA-N 1 2 278.396 1.405 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C)CCCCC2)[C@H](OC)C1 ZINC001082095719 924855451 /nfs/dbraw/zinc/85/54/51/924855451.db2.gz FTIYFFJZHRIETF-ZIAGYGMSSA-N 1 2 278.396 1.405 20 30 CDEDLO CSc1nc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)ccc1C#N ZINC001141928896 936955308 /nfs/dbraw/zinc/95/53/08/936955308.db2.gz CCDDXEQGJAPPNI-VXGBXAGGSA-N 1 2 281.356 1.580 20 30 CDEDLO CSc1nc(C[N@H+]2CC[C@@H](F)[C@H](O)C2)ccc1C#N ZINC001141928896 936955309 /nfs/dbraw/zinc/95/53/09/936955309.db2.gz CCDDXEQGJAPPNI-VXGBXAGGSA-N 1 2 281.356 1.580 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)s2)[C@H](OC)C1 ZINC001082393599 924913373 /nfs/dbraw/zinc/91/33/73/924913373.db2.gz RMGMTCOSIAQBBJ-GHMZBOCLSA-N 1 2 296.367 1.340 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(F)s2)[C@H](OC)C1 ZINC001082393599 924913376 /nfs/dbraw/zinc/91/33/76/924913376.db2.gz RMGMTCOSIAQBBJ-GHMZBOCLSA-N 1 2 296.367 1.340 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3cccc(C)c3o2)[C@@H](O)C1 ZINC001084093091 925140641 /nfs/dbraw/zinc/14/06/41/925140641.db2.gz CZQUAWQGRKBAOC-KGLIPLIRSA-N 1 2 298.342 1.149 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3cccc(C)c3o2)[C@@H](O)C1 ZINC001084093091 925140642 /nfs/dbraw/zinc/14/06/42/925140642.db2.gz CZQUAWQGRKBAOC-KGLIPLIRSA-N 1 2 298.342 1.149 20 30 CDEDLO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001084360680 925238190 /nfs/dbraw/zinc/23/81/90/925238190.db2.gz KVJDIFGSMVRTHN-MXWKQRLJSA-N 1 2 294.292 1.996 20 30 CDEDLO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001084360680 925238191 /nfs/dbraw/zinc/23/81/91/925238191.db2.gz KVJDIFGSMVRTHN-MXWKQRLJSA-N 1 2 294.292 1.996 20 30 CDEDLO C#CCOC[C@@H](O)CNc1ccc([NH+]2CCCC2)cc1 ZINC001251819289 925448662 /nfs/dbraw/zinc/44/86/62/925448662.db2.gz MCMBMDUSWXPWPR-INIZCTEOSA-N 1 2 274.364 1.709 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC([NH2+]CC(F)(F)C(F)F)CC1 ZINC001199816324 925876424 /nfs/dbraw/zinc/87/64/24/925876424.db2.gz IGXWJDVJKCORFH-QMMMGPOBSA-N 1 2 295.280 1.627 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(OC)no1 ZINC001085556016 926147560 /nfs/dbraw/zinc/14/75/60/926147560.db2.gz GRVARHFDGJIMRJ-JTQLQIEISA-N 1 2 265.313 1.016 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(OC)no1 ZINC001085556016 926147562 /nfs/dbraw/zinc/14/75/62/926147562.db2.gz GRVARHFDGJIMRJ-JTQLQIEISA-N 1 2 265.313 1.016 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)nnc1CC ZINC001085679837 926278974 /nfs/dbraw/zinc/27/89/74/926278974.db2.gz RVPFKUPNTOIDAU-CYBMUJFWSA-N 1 2 286.379 1.127 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)nnc1CC ZINC001085679837 926278985 /nfs/dbraw/zinc/27/89/85/926278985.db2.gz RVPFKUPNTOIDAU-CYBMUJFWSA-N 1 2 286.379 1.127 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccncc1Cl ZINC001085838356 926438967 /nfs/dbraw/zinc/43/89/67/926438967.db2.gz HDEREPBVCBYAMB-LLVKDONJSA-N 1 2 277.755 1.515 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccncc1Cl ZINC001085838356 926438973 /nfs/dbraw/zinc/43/89/73/926438973.db2.gz HDEREPBVCBYAMB-LLVKDONJSA-N 1 2 277.755 1.515 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(Cl)no1 ZINC001085935236 926521650 /nfs/dbraw/zinc/52/16/50/926521650.db2.gz ZXBGZKUZGOWYFQ-SECBINFHSA-N 1 2 269.732 1.660 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(Cl)no1 ZINC001085935236 926521658 /nfs/dbraw/zinc/52/16/58/926521658.db2.gz ZXBGZKUZGOWYFQ-SECBINFHSA-N 1 2 269.732 1.660 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)nn(C)c1F ZINC001085950066 926533626 /nfs/dbraw/zinc/53/36/26/926533626.db2.gz VYQGNHHSPKSLQU-GFCCVEGCSA-N 1 2 292.358 1.037 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)nn(C)c1F ZINC001085950066 926533632 /nfs/dbraw/zinc/53/36/32/926533632.db2.gz VYQGNHHSPKSLQU-GFCCVEGCSA-N 1 2 292.358 1.037 20 30 CDEDLO C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1[nH]nc2ccccc21 ZINC001085955743 926539337 /nfs/dbraw/zinc/53/93/37/926539337.db2.gz IXODSYUNFBFJSA-ZDUSSCGKSA-N 1 2 296.374 1.733 20 30 CDEDLO C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1[nH]nc2ccccc21 ZINC001085955743 926539342 /nfs/dbraw/zinc/53/93/42/926539342.db2.gz IXODSYUNFBFJSA-ZDUSSCGKSA-N 1 2 296.374 1.733 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1csc(COC)n1 ZINC001085997325 926582899 /nfs/dbraw/zinc/58/28/99/926582899.db2.gz NWUIPQRFIRPTBS-NSHDSACASA-N 1 2 293.392 1.069 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1csc(COC)n1 ZINC001085997325 926582905 /nfs/dbraw/zinc/58/29/05/926582905.db2.gz NWUIPQRFIRPTBS-NSHDSACASA-N 1 2 293.392 1.069 20 30 CDEDLO CC[C@H](CNC(=O)[C@@H](C)C#N)Nc1cc[nH+]c(C)n1 ZINC001103029240 937115045 /nfs/dbraw/zinc/11/50/45/937115045.db2.gz PMGMAYHEVRRVGT-GXSJLCMTSA-N 1 2 261.329 1.251 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(C)CCOCC2)C1 ZINC001108281249 927197082 /nfs/dbraw/zinc/19/70/82/927197082.db2.gz FDDOFAPEJKAWRR-INIZCTEOSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(C)CCOCC2)C1 ZINC001108281249 927197086 /nfs/dbraw/zinc/19/70/86/927197086.db2.gz FDDOFAPEJKAWRR-INIZCTEOSA-N 1 2 296.411 1.196 20 30 CDEDLO Cc1nc(NC[C@@](C)(NC(=O)C#CC2CC2)C2CC2)cc[nH+]1 ZINC001103530317 937146067 /nfs/dbraw/zinc/14/60/67/937146067.db2.gz IHDCPPCYCLWSMN-QGZVFWFLSA-N 1 2 298.390 1.895 20 30 CDEDLO C=CCCC(=O)NC[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001103890523 937170459 /nfs/dbraw/zinc/17/04/59/937170459.db2.gz ZEKGMNBFGJVZCX-NSHDSACASA-N 1 2 262.357 1.915 20 30 CDEDLO C=CCO[C@H](C)C(=O)NC[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001104005908 937184246 /nfs/dbraw/zinc/18/42/46/937184246.db2.gz OJPGYOIUUCGGAE-VXGBXAGGSA-N 1 2 292.383 1.540 20 30 CDEDLO C[N@@H+]1CCOC[C@H]1CNc1cnc2ccc(C#N)cc2n1 ZINC001169653901 928290523 /nfs/dbraw/zinc/29/05/23/928290523.db2.gz USEBFIQGBSJGNO-GFCCVEGCSA-N 1 2 283.335 1.244 20 30 CDEDLO C[N@H+]1CCOC[C@H]1CNc1cnc2ccc(C#N)cc2n1 ZINC001169653901 928290534 /nfs/dbraw/zinc/29/05/34/928290534.db2.gz USEBFIQGBSJGNO-GFCCVEGCSA-N 1 2 283.335 1.244 20 30 CDEDLO C[N@@H+]1CCOC[C@H]1CNc1ccccc1CS ZINC001169656465 928294233 /nfs/dbraw/zinc/29/42/33/928294233.db2.gz MEMOLDVPDUEVCO-GFCCVEGCSA-N 1 2 252.383 1.859 20 30 CDEDLO C[N@H+]1CCOC[C@H]1CNc1ccccc1CS ZINC001169656465 928294244 /nfs/dbraw/zinc/29/42/44/928294244.db2.gz MEMOLDVPDUEVCO-GFCCVEGCSA-N 1 2 252.383 1.859 20 30 CDEDLO C=CC[C@H]([NH2+][C@@H]1CCCC2(C1)OCCO2)C(=O)OC ZINC001169912672 928516471 /nfs/dbraw/zinc/51/64/71/928516471.db2.gz FZYMAUMRIGBUIV-NEPJUHHUSA-N 1 2 269.341 1.379 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001109193100 928831749 /nfs/dbraw/zinc/83/17/49/928831749.db2.gz AAEVYJGWESZUMH-LLVKDONJSA-N 1 2 276.384 1.938 20 30 CDEDLO C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#N)n1cc[nH+]c1 ZINC001109771042 929039880 /nfs/dbraw/zinc/03/98/80/929039880.db2.gz LAHNJJVGGSWJMH-MQYQWHSLSA-N 1 2 287.367 1.079 20 30 CDEDLO C=C[C@H](C(=O)NCC[NH2+]Cc1ncccn1)c1ccccc1 ZINC001151990471 937325332 /nfs/dbraw/zinc/32/53/32/937325332.db2.gz HPHTWJRNMRBWCK-HNNXBMFYSA-N 1 2 296.374 1.652 20 30 CDEDLO C=C[C@H](C(=O)NCC[NH2+]Cc1cnon1)c1ccccc1 ZINC001151997388 937326217 /nfs/dbraw/zinc/32/62/17/937326217.db2.gz FFVHWXYBZKPZMB-AWEZNQCLSA-N 1 2 286.335 1.245 20 30 CDEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ncc(C)cn1 ZINC001274441562 931500287 /nfs/dbraw/zinc/50/02/87/931500287.db2.gz DSFDCGAIVDCAOU-KRWDZBQOSA-N 1 2 298.390 1.375 20 30 CDEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ncc(C)cn1 ZINC001274441562 931500288 /nfs/dbraw/zinc/50/02/88/931500288.db2.gz DSFDCGAIVDCAOU-KRWDZBQOSA-N 1 2 298.390 1.375 20 30 CDEDLO C=CCN1C[C@@]2(F)CN(c3cccc[nH+]3)C[C@@]2(F)C1=O ZINC001274739588 931563806 /nfs/dbraw/zinc/56/38/06/931563806.db2.gz LEJCXTCHOLLEGS-ZIAGYGMSSA-N 1 2 279.290 1.346 20 30 CDEDLO C#CCC[NH2+][C@H](C(=O)OC)[C@@H]1CCC[C@H](OC)C1 ZINC000844445962 931618144 /nfs/dbraw/zinc/61/81/44/931618144.db2.gz IILYQMOZZAFJJX-AGIUHOORSA-N 1 2 253.342 1.346 20 30 CDEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC(=O)N[C@H](C)C1 ZINC001171203753 931942470 /nfs/dbraw/zinc/94/24/70/931942470.db2.gz PSGWSDMEUBAEPL-NEPJUHHUSA-N 1 2 257.337 1.310 20 30 CDEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC(=O)N[C@H](C)C1 ZINC001171203753 931942472 /nfs/dbraw/zinc/94/24/72/931942472.db2.gz PSGWSDMEUBAEPL-NEPJUHHUSA-N 1 2 257.337 1.310 20 30 CDEDLO N#CCCN(CCC#N)C(=O)c1cccc2[nH+]ccn21 ZINC001154522129 937552835 /nfs/dbraw/zinc/55/28/35/937552835.db2.gz RWALZRDUVRFRPE-UHFFFAOYSA-N 1 2 267.292 1.604 20 30 CDEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC(=O)NC[C@H]1C ZINC001171224492 932035424 /nfs/dbraw/zinc/03/54/24/932035424.db2.gz SIVHSUWXLSZGJG-VXGBXAGGSA-N 1 2 257.337 1.310 20 30 CDEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC(=O)NC[C@H]1C ZINC001171224492 932035430 /nfs/dbraw/zinc/03/54/30/932035430.db2.gz SIVHSUWXLSZGJG-VXGBXAGGSA-N 1 2 257.337 1.310 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(OC)c(O)c2)CC1 ZINC001148260971 932680693 /nfs/dbraw/zinc/68/06/93/932680693.db2.gz KUQLRAXQEKNSPG-UHFFFAOYSA-N 1 2 276.336 1.345 20 30 CDEDLO COc1ccc(C[N@H+](CCO)CC2(C#N)CC2)cc1 ZINC001119327116 937710080 /nfs/dbraw/zinc/71/00/80/937710080.db2.gz DAUYIZLFWHIJKH-UHFFFAOYSA-N 1 2 260.337 1.793 20 30 CDEDLO COc1ccc(C[N@@H+](CCO)CC2(C#N)CC2)cc1 ZINC001119327116 937710081 /nfs/dbraw/zinc/71/00/81/937710081.db2.gz DAUYIZLFWHIJKH-UHFFFAOYSA-N 1 2 260.337 1.793 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c2ccccc2nn1C ZINC001038880828 935761246 /nfs/dbraw/zinc/76/12/46/935761246.db2.gz LDSASJICFIIYDU-LBPRGKRZSA-N 1 2 282.347 1.011 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c2ccccc2nn1C ZINC001038880828 935761248 /nfs/dbraw/zinc/76/12/48/935761248.db2.gz LDSASJICFIIYDU-LBPRGKRZSA-N 1 2 282.347 1.011 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001043813154 935844057 /nfs/dbraw/zinc/84/40/57/935844057.db2.gz JBKDGWWVVDASNV-BBRMVZONSA-N 1 2 260.381 1.733 20 30 CDEDLO C=CCOCC(=O)NC[C@H](Nc1cc[nH+]c(C)n1)C1CC1 ZINC001096591391 936189701 /nfs/dbraw/zinc/18/97/01/936189701.db2.gz HJYNKRCWHQFYPB-ZDUSSCGKSA-N 1 2 290.367 1.294 20 30 CDEDLO C=CCCOCC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097194145 936281231 /nfs/dbraw/zinc/28/12/31/936281231.db2.gz ZLOTYMIJIFYTQA-BETUJISGSA-N 1 2 290.367 1.437 20 30 CDEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCCCC1 ZINC001121715009 937881517 /nfs/dbraw/zinc/88/15/17/937881517.db2.gz MBHPCUJCLRDUEA-UHFFFAOYSA-N 1 2 286.383 1.779 20 30 CDEDLO N#Cc1cc[nH]c1NC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156963982 938439616 /nfs/dbraw/zinc/43/96/16/938439616.db2.gz CUKQPNXYZLTWSU-UHFFFAOYSA-N 1 2 266.264 1.597 20 30 CDEDLO CC(C)(S)CNC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156978999 938442309 /nfs/dbraw/zinc/44/23/09/938442309.db2.gz IQPUBIDHDDTKBO-UHFFFAOYSA-N 1 2 264.354 1.583 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1cc(C)c(C#N)cn1 ZINC001157459760 938495471 /nfs/dbraw/zinc/49/54/71/938495471.db2.gz HTBLMYBIWCCCET-UHFFFAOYSA-N 1 2 255.325 1.985 20 30 CDEDLO N#CCc1cc[nH+]c(N2CCC[C@H](n3ccnn3)C2)c1 ZINC001157796437 938547161 /nfs/dbraw/zinc/54/71/61/938547161.db2.gz BKFOTRCKNOEYNB-ZDUSSCGKSA-N 1 2 268.324 1.581 20 30 CDEDLO Cc1ccc(CC#N)c(NC[C@H]2COCC[N@H+]2C)n1 ZINC001158709203 938653981 /nfs/dbraw/zinc/65/39/81/938653981.db2.gz GDAVLWOYZJVNRN-ZDUSSCGKSA-N 1 2 260.341 1.199 20 30 CDEDLO Cc1ccc(CC#N)c(NC[C@H]2COCC[N@@H+]2C)n1 ZINC001158709203 938653983 /nfs/dbraw/zinc/65/39/83/938653983.db2.gz GDAVLWOYZJVNRN-ZDUSSCGKSA-N 1 2 260.341 1.199 20 30 CDEDLO C=C[C@@H](CO)Nc1cc(C)c(C(=O)OCC)c(C)[nH+]1 ZINC001158814596 938665796 /nfs/dbraw/zinc/66/57/96/938665796.db2.gz KSZMBGSSIKFYDR-NSHDSACASA-N 1 2 264.325 1.834 20 30 CDEDLO Cc1nc(-n2cncn2)cc(NCC#CC(C)(C)C)[nH+]1 ZINC001160397562 938783930 /nfs/dbraw/zinc/78/39/30/938783930.db2.gz VZSRMAAFPZKOFQ-UHFFFAOYSA-N 1 2 270.340 1.827 20 30 CDEDLO N#Cc1ccc2c(c1)CCN2C(=O)Cn1cc[nH+]c1 ZINC001161512603 938907441 /nfs/dbraw/zinc/90/74/41/938907441.db2.gz ZGRIKXLIULIJRE-UHFFFAOYSA-N 1 2 252.277 1.344 20 30 CDEDLO N#Cc1cc(Cl)nc(NCCCn2cc[nH+]c2)n1 ZINC001161681218 938919411 /nfs/dbraw/zinc/91/94/11/938919411.db2.gz KUKFUKSHYRFRMH-UHFFFAOYSA-N 1 2 262.704 1.700 20 30 CDEDLO N#CCc1ccc[nH+]c1NCc1cn2cccnc2n1 ZINC001161899909 938941300 /nfs/dbraw/zinc/94/13/00/938941300.db2.gz LQNOGWGYERSXFD-UHFFFAOYSA-N 1 2 264.292 1.802 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNc2nc(Cl)ccc2C#N)C1 ZINC001162679874 939114368 /nfs/dbraw/zinc/11/43/68/939114368.db2.gz CQPYFGNAUKYXOM-SNVBAGLBSA-N 1 2 266.732 1.349 20 30 CDEDLO C[N@H+]1CCO[C@H](CNc2nc(Cl)ccc2C#N)C1 ZINC001162679874 939114371 /nfs/dbraw/zinc/11/43/71/939114371.db2.gz CQPYFGNAUKYXOM-SNVBAGLBSA-N 1 2 266.732 1.349 20 30 CDEDLO Cc1ncc(C#N)c(NCc2ccc3[nH+]ccn3c2)n1 ZINC001163136455 939210387 /nfs/dbraw/zinc/21/03/87/939210387.db2.gz HIVKPUANPUFZGO-UHFFFAOYSA-N 1 2 264.292 1.338 20 30 CDEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001164213802 939431008 /nfs/dbraw/zinc/43/10/08/939431008.db2.gz NJBMMPMXTAMNON-VXGBXAGGSA-N 1 2 294.399 1.686 20 30 CDEDLO N#Cc1cc(F)cnc1N1CC[NH2+]CC(F)(F)C1 ZINC001164488919 939478469 /nfs/dbraw/zinc/47/84/69/939478469.db2.gz QVKQJCSDSUNCRZ-UHFFFAOYSA-N 1 2 256.231 1.137 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1cccnc1Cl ZINC001164623700 939499896 /nfs/dbraw/zinc/49/98/96/939499896.db2.gz AFSIRNJHZDFAIH-MRVPVSSYSA-N 1 2 272.686 1.582 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001164640760 939500775 /nfs/dbraw/zinc/50/07/75/939500775.db2.gz DOMVTLIAXKJGSL-LLVKDONJSA-N 1 2 283.291 1.445 20 30 CDEDLO COc1ccc2cnc(N3CC[NH2+]C[C@H]3C#N)cc2c1 ZINC001164651466 939501813 /nfs/dbraw/zinc/50/18/13/939501813.db2.gz IJEIXMSBGAMFOG-CYBMUJFWSA-N 1 2 268.320 1.545 20 30 CDEDLO CC(C)c1noc(-c2ccnc(N3CC[NH2+]C[C@H]3C#N)c2)n1 ZINC001164661274 939502886 /nfs/dbraw/zinc/50/28/86/939502886.db2.gz KUDCMFNAQABQFT-GFCCVEGCSA-N 1 2 298.350 1.557 20 30 CDEDLO CCN1CC[C@@]2(CN(c3cc(CC#N)cc[nH+]3)C[C@@H]2C)C1=O ZINC001165756919 939576590 /nfs/dbraw/zinc/57/65/90/939576590.db2.gz DGZOHTIGHSAITG-GUYCJALGSA-N 1 2 298.390 1.842 20 30 CDEDLO N#CCc1cc[nH+]c(N2CCN(c3cccnn3)CC2)c1 ZINC001166781019 939638405 /nfs/dbraw/zinc/63/84/05/939638405.db2.gz GEFYORNZQDMSFM-UHFFFAOYSA-N 1 2 280.335 1.264 20 30 CDEDLO Cn1cnc2c1C[N@H+](Cc1cccc(C#N)c1)CC2 ZINC001203764046 939703022 /nfs/dbraw/zinc/70/30/22/939703022.db2.gz VPUBAMUYVNDMHO-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO Cn1cnc2c1C[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC001203764046 939703023 /nfs/dbraw/zinc/70/30/23/939703023.db2.gz VPUBAMUYVNDMHO-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO N#Cc1cc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)ccc1F ZINC001205493731 939893258 /nfs/dbraw/zinc/89/32/58/939893258.db2.gz MXWYNSZWFYYBGJ-ZDUSSCGKSA-N 1 2 277.318 1.925 20 30 CDEDLO N#Cc1cc(CN2CC([N@H+]3CC[C@H](F)C3)C2)ccc1F ZINC001205493731 939893264 /nfs/dbraw/zinc/89/32/64/939893264.db2.gz MXWYNSZWFYYBGJ-ZDUSSCGKSA-N 1 2 277.318 1.925 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCCCC)C1 ZINC001206689592 940078874 /nfs/dbraw/zinc/07/88/74/940078874.db2.gz FORPTFHFCYHHDI-DGCLKSJQSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCCCC)C1 ZINC001206689592 940078876 /nfs/dbraw/zinc/07/88/76/940078876.db2.gz FORPTFHFCYHHDI-DGCLKSJQSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](OC)C2CC2)C1 ZINC001206926172 940112630 /nfs/dbraw/zinc/11/26/30/940112630.db2.gz ZJZYONBMMBCWFQ-OASPWFOLSA-N 1 2 286.803 1.600 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](OC)C2CC2)C1 ZINC001206926172 940112634 /nfs/dbraw/zinc/11/26/34/940112634.db2.gz ZJZYONBMMBCWFQ-OASPWFOLSA-N 1 2 286.803 1.600 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1-c1cccc(C#N)c1C ZINC001216173415 940925052 /nfs/dbraw/zinc/92/50/52/940925052.db2.gz GCKYBVQPDQCJQX-UHFFFAOYSA-N 1 2 270.292 1.811 20 30 CDEDLO CC(C)=CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001219143130 941313441 /nfs/dbraw/zinc/31/34/41/941313441.db2.gz DCUOQWBFUKYOLH-CVEARBPZSA-N 1 2 299.374 1.186 20 30 CDEDLO CC(C)=CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001219143130 941313444 /nfs/dbraw/zinc/31/34/44/941313444.db2.gz DCUOQWBFUKYOLH-CVEARBPZSA-N 1 2 299.374 1.186 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@](C)(F)CCCC)[C@@H](O)C1 ZINC001219908973 941395086 /nfs/dbraw/zinc/39/50/86/941395086.db2.gz XZZCKOJZSPDUQC-VNHYZAJKSA-N 1 2 284.375 1.089 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@](C)(F)CCCC)[C@@H](O)C1 ZINC001219908973 941395089 /nfs/dbraw/zinc/39/50/89/941395089.db2.gz XZZCKOJZSPDUQC-VNHYZAJKSA-N 1 2 284.375 1.089 20 30 CDEDLO CCCCC[C@H]([NH2+]C)C(=O)N=C(NO)c1ccc(C)cn1 ZINC001220336818 941438614 /nfs/dbraw/zinc/43/86/14/941438614.db2.gz DUZGQBZYLNSOTG-ZDUSSCGKSA-N 1 2 292.383 1.810 20 30 CDEDLO C=CC1(CC(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)CCCCC1 ZINC001220535371 941452119 /nfs/dbraw/zinc/45/21/19/941452119.db2.gz ZMHOWFCWILUEAC-KGLIPLIRSA-N 1 2 298.402 1.644 20 30 CDEDLO C=CC1(CC(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)CCCCC1 ZINC001220535371 941452120 /nfs/dbraw/zinc/45/21/20/941452120.db2.gz ZMHOWFCWILUEAC-KGLIPLIRSA-N 1 2 298.402 1.644 20 30 CDEDLO Cn1cc(C[NH+]2CC3(CN(c4cccnc4)C3)C2)cc1C#N ZINC001276985036 941776476 /nfs/dbraw/zinc/77/64/76/941776476.db2.gz WVNVYHVKGAPYSI-UHFFFAOYSA-N 1 2 293.374 1.614 20 30 CDEDLO COc1cccc(CC#N)c1O[C@H](C)C[NH+]1CCOCC1 ZINC001225842664 941920591 /nfs/dbraw/zinc/92/05/91/941920591.db2.gz KEKCGEUOTZNQKO-CYBMUJFWSA-N 1 2 290.363 1.861 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(O)ccc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226128375 941955368 /nfs/dbraw/zinc/95/53/68/941955368.db2.gz ZSNNQSMMNRSHEB-LSVRBPJHSA-N 1 2 265.284 1.523 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(O)ccc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226128375 941955371 /nfs/dbraw/zinc/95/53/71/941955371.db2.gz ZSNNQSMMNRSHEB-LSVRBPJHSA-N 1 2 265.284 1.523 20 30 CDEDLO C=CCCCC(=O)NC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001228928096 942396163 /nfs/dbraw/zinc/39/61/63/942396163.db2.gz VMELJKJCFBGALG-UHFFFAOYSA-N 1 2 291.399 1.252 20 30 CDEDLO Cn1cccc1C[N@@H+]1CC[C@@H]2C[C@@]21C(=O)NC1(C#N)CCC1 ZINC001277390183 942479221 /nfs/dbraw/zinc/47/92/21/942479221.db2.gz KIHFTKPGGSMQOB-DYVFJYSZSA-N 1 2 298.390 1.552 20 30 CDEDLO Cn1cccc1C[N@H+]1CC[C@@H]2C[C@@]21C(=O)NC1(C#N)CCC1 ZINC001277390183 942479223 /nfs/dbraw/zinc/47/92/23/942479223.db2.gz KIHFTKPGGSMQOB-DYVFJYSZSA-N 1 2 298.390 1.552 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(F)ccc3O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230295119 942603059 /nfs/dbraw/zinc/60/30/59/942603059.db2.gz RCGWVUYGAHQZIO-OTDFPYDRSA-N 1 2 265.284 1.523 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(F)ccc3O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230295119 942603063 /nfs/dbraw/zinc/60/30/63/942603063.db2.gz RCGWVUYGAHQZIO-OTDFPYDRSA-N 1 2 265.284 1.523 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)SC ZINC001230850041 942712375 /nfs/dbraw/zinc/71/23/75/942712375.db2.gz WQXIKEDPDASVEI-NEPJUHHUSA-N 1 2 254.399 1.294 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)SC ZINC001230850041 942712379 /nfs/dbraw/zinc/71/23/79/942712379.db2.gz WQXIKEDPDASVEI-NEPJUHHUSA-N 1 2 254.399 1.294 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)OCCC=C ZINC001231095305 942784183 /nfs/dbraw/zinc/78/41/83/942784183.db2.gz OZQFWWDLYZYKGA-ZIAGYGMSSA-N 1 2 264.369 1.134 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)OCCC=C ZINC001231095305 942784188 /nfs/dbraw/zinc/78/41/88/942784188.db2.gz OZQFWWDLYZYKGA-ZIAGYGMSSA-N 1 2 264.369 1.134 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(CC)CC ZINC001231122678 942792451 /nfs/dbraw/zinc/79/24/51/942792451.db2.gz MUCZLBCIJDXVCK-AWEZNQCLSA-N 1 2 295.427 1.354 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(CC)CC ZINC001231122678 942792454 /nfs/dbraw/zinc/79/24/54/942792454.db2.gz MUCZLBCIJDXVCK-AWEZNQCLSA-N 1 2 295.427 1.354 20 30 CDEDLO Cc1ncc(C[N@H+]2CC[C@H]2CN(C)C(=O)[C@H](C)C#N)s1 ZINC001231248084 942835055 /nfs/dbraw/zinc/83/50/55/942835055.db2.gz UJZVADCGMVBQBC-PWSUYJOCSA-N 1 2 292.408 1.644 20 30 CDEDLO Cc1ncc(C[N@@H+]2CC[C@H]2CN(C)C(=O)[C@H](C)C#N)s1 ZINC001231248084 942835058 /nfs/dbraw/zinc/83/50/58/942835058.db2.gz UJZVADCGMVBQBC-PWSUYJOCSA-N 1 2 292.408 1.644 20 30 CDEDLO N#CC[C@H](C(=O)N1CC(n2cc[nH+]c2)C1)c1ccccc1 ZINC001362162325 970961920 /nfs/dbraw/zinc/96/19/20/970961920.db2.gz VKTFRFJEOUSZOR-HNNXBMFYSA-N 1 2 280.331 1.964 20 30 CDEDLO C#CCN1CC[NH+](Cc2c[nH]c3nccc(Cl)c23)CC1 ZINC001232463759 943283654 /nfs/dbraw/zinc/28/36/54/943283654.db2.gz QIJIIDKRFVJGCM-UHFFFAOYSA-N 1 2 288.782 1.967 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2C[C@H](CO)C[C@H](F)C2)c1 ZINC001232674188 943357553 /nfs/dbraw/zinc/35/75/53/943357553.db2.gz SPTXVKZBAXQPMF-YPMHNXCESA-N 1 2 264.300 1.416 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2C[C@H](CO)C[C@H](F)C2)c1 ZINC001232674188 943357557 /nfs/dbraw/zinc/35/75/57/943357557.db2.gz SPTXVKZBAXQPMF-YPMHNXCESA-N 1 2 264.300 1.416 20 30 CDEDLO C[N@H+](C1CN(Cc2cc(C#N)ccc2O)C1)[C@@H]1CCOC1 ZINC001232678596 943359750 /nfs/dbraw/zinc/35/97/50/943359750.db2.gz JGAXAMCDMGJPLY-CQSZACIVSA-N 1 2 287.363 1.169 20 30 CDEDLO C[N@@H+](C1CN(Cc2cc(C#N)ccc2O)C1)[C@@H]1CCOC1 ZINC001232678596 943359756 /nfs/dbraw/zinc/35/97/56/943359756.db2.gz JGAXAMCDMGJPLY-CQSZACIVSA-N 1 2 287.363 1.169 20 30 CDEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CCOC3=O)CC2)c1 ZINC001232678399 943360696 /nfs/dbraw/zinc/36/06/96/943360696.db2.gz XRXDSHXHYCCRAH-UHFFFAOYSA-N 1 2 286.331 1.793 20 30 CDEDLO N#Cc1ccc(O)c(C[NH+]2CCN(CCF)CC2)c1 ZINC001232678736 943360815 /nfs/dbraw/zinc/36/08/15/943360815.db2.gz NVLHVBNOOVJMGV-UHFFFAOYSA-N 1 2 263.316 1.351 20 30 CDEDLO Cc1cc(C[N@H+](C)Cc2cc(C#N)ccc2O)n(C)n1 ZINC001232679144 943362061 /nfs/dbraw/zinc/36/20/61/943362061.db2.gz FBMDYKBPDSAOJY-UHFFFAOYSA-N 1 2 270.336 1.938 20 30 CDEDLO Cc1cc(C[N@@H+](C)Cc2cc(C#N)ccc2O)n(C)n1 ZINC001232679144 943362066 /nfs/dbraw/zinc/36/20/66/943362066.db2.gz FBMDYKBPDSAOJY-UHFFFAOYSA-N 1 2 270.336 1.938 20 30 CDEDLO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001233049146 943475839 /nfs/dbraw/zinc/47/58/39/943475839.db2.gz YWBLJMCRSRXJGP-GFCCVEGCSA-N 1 2 256.313 1.315 20 30 CDEDLO N#Cc1cc[nH]c1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001233049146 943475841 /nfs/dbraw/zinc/47/58/41/943475841.db2.gz YWBLJMCRSRXJGP-GFCCVEGCSA-N 1 2 256.313 1.315 20 30 CDEDLO COc1cccc(O[C@@H]2CC[N@H+](Cc3[nH]ccc3C#N)C2)n1 ZINC001233049255 943475924 /nfs/dbraw/zinc/47/59/24/943475924.db2.gz LOLTWIZVKNBZRC-CYBMUJFWSA-N 1 2 298.346 1.943 20 30 CDEDLO COc1cccc(O[C@@H]2CC[N@@H+](Cc3[nH]ccc3C#N)C2)n1 ZINC001233049255 943475927 /nfs/dbraw/zinc/47/59/27/943475927.db2.gz LOLTWIZVKNBZRC-CYBMUJFWSA-N 1 2 298.346 1.943 20 30 CDEDLO Cc1cc(C#N)ccc1C[NH+]1CC(N2CC(F)C2)C1 ZINC001233080633 943487893 /nfs/dbraw/zinc/48/78/93/943487893.db2.gz RCODXIRVKXJTQV-UHFFFAOYSA-N 1 2 259.328 1.705 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2sncc2C)CC1 ZINC001233322819 943541623 /nfs/dbraw/zinc/54/16/23/943541623.db2.gz VPIZTIPUQBWQKK-UHFFFAOYSA-N 1 2 279.365 1.730 20 30 CDEDLO COC[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1O ZINC001233387617 943573927 /nfs/dbraw/zinc/57/39/27/943573927.db2.gz PZHBDSSKSCAQCB-ZDUSSCGKSA-N 1 2 262.309 1.111 20 30 CDEDLO COC[C@H]1COCC[N@H+]1Cc1ccc(C#N)cc1O ZINC001233387617 943573929 /nfs/dbraw/zinc/57/39/29/943573929.db2.gz PZHBDSSKSCAQCB-ZDUSSCGKSA-N 1 2 262.309 1.111 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C1CC1 ZINC001233529377 943610155 /nfs/dbraw/zinc/61/01/55/943610155.db2.gz KVWDZAWNLIYHEO-DZGCQCFKSA-N 1 2 278.396 1.215 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C1CC1 ZINC001233529377 943610156 /nfs/dbraw/zinc/61/01/56/943610156.db2.gz KVWDZAWNLIYHEO-DZGCQCFKSA-N 1 2 278.396 1.215 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001234554067 943891846 /nfs/dbraw/zinc/89/18/46/943891846.db2.gz DFLFFQWEVLPZDN-STQMWFEESA-N 1 2 295.427 1.256 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001234554067 943891854 /nfs/dbraw/zinc/89/18/54/943891854.db2.gz DFLFFQWEVLPZDN-STQMWFEESA-N 1 2 295.427 1.256 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C(C)C ZINC001234563068 943893391 /nfs/dbraw/zinc/89/33/91/943893391.db2.gz NGFBGOVTWWLPKM-HNNXBMFYSA-N 1 2 294.439 1.851 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C(C)C ZINC001234563068 943893397 /nfs/dbraw/zinc/89/33/97/943893397.db2.gz NGFBGOVTWWLPKM-HNNXBMFYSA-N 1 2 294.439 1.851 20 30 CDEDLO C#CCOCCN(C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC001264015411 944064091 /nfs/dbraw/zinc/06/40/91/944064091.db2.gz UYJLXXUMNBDFOE-UHFFFAOYSA-N 1 2 297.358 1.653 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)c1cc(C)ccn1 ZINC001235798095 944277894 /nfs/dbraw/zinc/27/78/94/944277894.db2.gz RGYOJJYSCVIYAF-HNNXBMFYSA-N 1 2 299.418 1.834 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)c1cc(C)ccn1 ZINC001235798095 944277903 /nfs/dbraw/zinc/27/79/03/944277903.db2.gz RGYOJJYSCVIYAF-HNNXBMFYSA-N 1 2 299.418 1.834 20 30 CDEDLO N#Cc1ccc2nc(CN3CCn4c[nH+]cc4C3)cn2c1 ZINC001237606365 944876885 /nfs/dbraw/zinc/87/68/85/944876885.db2.gz LJDRSNDHQXCJHX-UHFFFAOYSA-N 1 2 278.319 1.418 20 30 CDEDLO NC(=O)c1cccc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)c1 ZINC001237693278 944928569 /nfs/dbraw/zinc/92/85/69/944928569.db2.gz RCNNHARXEVZAGJ-ZDUSSCGKSA-N 1 2 288.372 1.560 20 30 CDEDLO NC(=O)c1cccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)c1 ZINC001237693278 944928575 /nfs/dbraw/zinc/92/85/75/944928575.db2.gz RCNNHARXEVZAGJ-ZDUSSCGKSA-N 1 2 288.372 1.560 20 30 CDEDLO Cc1cc(N)[nH+]cc1-c1ncnc2[nH]cc(C#N)c21 ZINC001242068863 946582460 /nfs/dbraw/zinc/58/24/60/946582460.db2.gz XTPSDEUKSJDVGB-UHFFFAOYSA-N 1 2 250.265 1.782 20 30 CDEDLO CN1CCOc2c1cn[nH+]c2-c1ccc(N)c(C#N)c1 ZINC001244111759 947326220 /nfs/dbraw/zinc/32/62/20/947326220.db2.gz AFYNCIWVZDZFAU-UHFFFAOYSA-N 1 2 267.292 1.426 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CC[C@@H](Oc2ncc(OC)cn2)C1 ZINC001255177256 947765935 /nfs/dbraw/zinc/76/59/35/947765935.db2.gz OWHPQUAHOIQDHT-VXGBXAGGSA-N 1 2 276.340 1.631 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CC[C@@H](Oc2ncc(OC)cn2)C1 ZINC001255177256 947765941 /nfs/dbraw/zinc/76/59/41/947765941.db2.gz OWHPQUAHOIQDHT-VXGBXAGGSA-N 1 2 276.340 1.631 20 30 CDEDLO CC(C)OC1CCC(N2CC[NH2+]C[C@H]2C#N)CC1 ZINC001257880382 948654430 /nfs/dbraw/zinc/65/44/30/948654430.db2.gz ZBSWNXGTXKPGFQ-ROKHWSDSSA-N 1 2 251.374 1.520 20 30 CDEDLO COC[C@H]([NH3+])c1nc(-c2cc(C#N)ccc2F)no1 ZINC001248184817 948964989 /nfs/dbraw/zinc/96/49/89/948964989.db2.gz SYDNJABQAOHNFV-JTQLQIEISA-N 1 2 262.244 1.394 20 30 CDEDLO Cc1cc(-c2noc([C@@H]([NH3+])[C@H](C)O)n2)ccc1C#N ZINC001249074308 949362315 /nfs/dbraw/zinc/36/23/15/949362315.db2.gz QTRZERDWTBIKRD-KWQFWETISA-N 1 2 258.281 1.297 20 30 CDEDLO C=CCC[C@H](O)C[NH2+][C@@H](CC(C)C)C(=O)OCC ZINC001252613802 951507442 /nfs/dbraw/zinc/50/74/42/951507442.db2.gz BBFPPANCSQKOKX-STQMWFEESA-N 1 2 257.374 1.881 20 30 CDEDLO COc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC001253954900 952162858 /nfs/dbraw/zinc/16/28/58/952162858.db2.gz HBHQOTORJRRIBQ-UONOGXRCSA-N 1 2 290.363 1.670 20 30 CDEDLO COc1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC001253954900 952162860 /nfs/dbraw/zinc/16/28/60/952162860.db2.gz HBHQOTORJRRIBQ-UONOGXRCSA-N 1 2 290.363 1.670 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001480850231 971915924 /nfs/dbraw/zinc/91/59/24/971915924.db2.gz GKIVYBIZYGAHNJ-LBPRGKRZSA-N 1 2 270.336 1.266 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001480850231 971915926 /nfs/dbraw/zinc/91/59/26/971915926.db2.gz GKIVYBIZYGAHNJ-LBPRGKRZSA-N 1 2 270.336 1.266 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001289823347 953999295 /nfs/dbraw/zinc/99/92/95/953999295.db2.gz NECNMOSMSUZSLC-HIFRSBDPSA-N 1 2 289.379 1.717 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+]([C@H](C)C(=O)N(C)C(C)C)CC1 ZINC001363246386 972016039 /nfs/dbraw/zinc/01/60/39/972016039.db2.gz USSCHKNUYYAESY-GFCCVEGCSA-N 1 2 295.383 1.020 20 30 CDEDLO COCC#CC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001327802919 955053741 /nfs/dbraw/zinc/05/37/41/955053741.db2.gz HAFIBDIICZYDQH-UITAMQMPSA-N 1 2 298.386 1.494 20 30 CDEDLO N#CC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001328696204 955420330 /nfs/dbraw/zinc/42/03/30/955420330.db2.gz JCOFIEIOMJMFHP-GFCCVEGCSA-N 1 2 258.325 1.208 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ncoc1CC ZINC001492218548 955717182 /nfs/dbraw/zinc/71/71/82/955717182.db2.gz AYIOYPKANJXKNX-UHFFFAOYSA-N 1 2 271.748 1.651 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ncoc1CC ZINC001492218548 955717186 /nfs/dbraw/zinc/71/71/86/955717186.db2.gz AYIOYPKANJXKNX-UHFFFAOYSA-N 1 2 271.748 1.651 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1ccnn1C ZINC001422838155 956395227 /nfs/dbraw/zinc/39/52/27/956395227.db2.gz YGAMSUMRKCHXBB-GFCCVEGCSA-N 1 2 298.818 1.542 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCc1ccnn1C ZINC001422838155 956395234 /nfs/dbraw/zinc/39/52/34/956395234.db2.gz YGAMSUMRKCHXBB-GFCCVEGCSA-N 1 2 298.818 1.542 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1cscn1 ZINC001422888531 956428343 /nfs/dbraw/zinc/42/83/43/956428343.db2.gz GFWNKKLIVQPYIT-JTQLQIEISA-N 1 2 287.816 1.875 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1cscn1 ZINC001422888531 956428355 /nfs/dbraw/zinc/42/83/55/956428355.db2.gz GFWNKKLIVQPYIT-JTQLQIEISA-N 1 2 287.816 1.875 20 30 CDEDLO Cc1cc(C)c(NC(=O)N2CCO[C@H](C#N)C2)c(C)[nH+]1 ZINC001365914139 956444471 /nfs/dbraw/zinc/44/44/71/956444471.db2.gz URBSKWOAESEYMT-GFCCVEGCSA-N 1 2 274.324 1.763 20 30 CDEDLO Cc1ccc(NCC[N@H+]2CCOC[C@@H]2C)c(C#N)n1 ZINC001330804409 956639322 /nfs/dbraw/zinc/63/93/22/956639322.db2.gz AJKOTBJERDWDQT-LBPRGKRZSA-N 1 2 260.341 1.394 20 30 CDEDLO Cc1ccc(NCC[N@@H+]2CCOC[C@@H]2C)c(C#N)n1 ZINC001330804409 956639324 /nfs/dbraw/zinc/63/93/24/956639324.db2.gz AJKOTBJERDWDQT-LBPRGKRZSA-N 1 2 260.341 1.394 20 30 CDEDLO C[N@H+](CCNC(=O)c1cn[nH]c1)Cc1ccccc1C#N ZINC001366513775 956898749 /nfs/dbraw/zinc/89/87/49/956898749.db2.gz BQZQWBXLCINEEW-UHFFFAOYSA-N 1 2 283.335 1.143 20 30 CDEDLO C[N@@H+](CCNC(=O)c1cn[nH]c1)Cc1ccccc1C#N ZINC001366513775 956898760 /nfs/dbraw/zinc/89/87/60/956898760.db2.gz BQZQWBXLCINEEW-UHFFFAOYSA-N 1 2 283.335 1.143 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)Cc2ccc(C)nc2)C1 ZINC001494626627 972271960 /nfs/dbraw/zinc/27/19/60/972271960.db2.gz YXENNRSZOWXXSD-UHFFFAOYSA-N 1 2 293.798 1.733 20 30 CDEDLO C=CCn1cnn(C[N@H+](C)C[C@H]2CCCOC2)c1=S ZINC001322577231 960266509 /nfs/dbraw/zinc/26/65/09/960266509.db2.gz IPGAARBDFRAVTB-GFCCVEGCSA-N 1 2 282.413 1.916 20 30 CDEDLO C=CCn1cnn(C[N@@H+](C)C[C@H]2CCCOC2)c1=S ZINC001322577231 960266515 /nfs/dbraw/zinc/26/65/15/960266515.db2.gz IPGAARBDFRAVTB-GFCCVEGCSA-N 1 2 282.413 1.916 20 30 CDEDLO C#CC[N@H+](CC1CC1)CN1C(=O)C[C@](C)(CC)C1=O ZINC001336874683 960689661 /nfs/dbraw/zinc/68/96/61/960689661.db2.gz WIHCPHIIUMYFEF-HNNXBMFYSA-N 1 2 262.353 1.464 20 30 CDEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)C[C@](C)(CC)C1=O ZINC001336874683 960689671 /nfs/dbraw/zinc/68/96/71/960689671.db2.gz WIHCPHIIUMYFEF-HNNXBMFYSA-N 1 2 262.353 1.464 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)CCc1nnc[nH]1 ZINC001418607172 960788246 /nfs/dbraw/zinc/78/82/46/960788246.db2.gz GLOUIGHNVDTCPC-NSHDSACASA-N 1 2 297.790 1.070 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)CCc1nnc[nH]1 ZINC001418607172 960788256 /nfs/dbraw/zinc/78/82/56/960788256.db2.gz GLOUIGHNVDTCPC-NSHDSACASA-N 1 2 297.790 1.070 20 30 CDEDLO CC[C@H](C(=O)NCC1(CC#N)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001433971023 960829048 /nfs/dbraw/zinc/82/90/48/960829048.db2.gz XDZUJHSGXVPIFB-UONOGXRCSA-N 1 2 293.411 1.686 20 30 CDEDLO CC[C@H](C(=O)NCC1(CC#N)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC001433971023 960829060 /nfs/dbraw/zinc/82/90/60/960829060.db2.gz XDZUJHSGXVPIFB-UONOGXRCSA-N 1 2 293.411 1.686 20 30 CDEDLO C=C1CCN(c2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)CC1 ZINC001337850685 961465743 /nfs/dbraw/zinc/46/57/43/961465743.db2.gz CXZWBRSKHXDUGT-UONOGXRCSA-N 1 2 288.395 1.840 20 30 CDEDLO C=C1CCN(c2cc(N3CC[C@@H]([C@H](C)O)C3)nc[nH+]2)CC1 ZINC001337850685 961465750 /nfs/dbraw/zinc/46/57/50/961465750.db2.gz CXZWBRSKHXDUGT-UONOGXRCSA-N 1 2 288.395 1.840 20 30 CDEDLO C#CCNC(=O)c1ccccc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001338193374 961685972 /nfs/dbraw/zinc/68/59/72/961685972.db2.gz CVLFBHBQXXFUFR-GFCCVEGCSA-N 1 2 296.330 1.446 20 30 CDEDLO C[N@H+](CCNC(=O)c1ccc[nH]1)Cc1ccccc1C#N ZINC001437432918 962892971 /nfs/dbraw/zinc/89/29/71/962892971.db2.gz WUACEUWWJCFPFG-UHFFFAOYSA-N 1 2 282.347 1.748 20 30 CDEDLO C[N@@H+](CCNC(=O)c1ccc[nH]1)Cc1ccccc1C#N ZINC001437432918 962892978 /nfs/dbraw/zinc/89/29/78/962892978.db2.gz WUACEUWWJCFPFG-UHFFFAOYSA-N 1 2 282.347 1.748 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(=O)n(C)c1 ZINC001420600375 963108290 /nfs/dbraw/zinc/10/82/90/963108290.db2.gz YQMMRGKKVLVPKD-NSHDSACASA-N 1 2 297.786 1.188 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(=O)n(C)c1 ZINC001420600375 963108295 /nfs/dbraw/zinc/10/82/95/963108295.db2.gz YQMMRGKKVLVPKD-NSHDSACASA-N 1 2 297.786 1.188 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1n[nH]cc1C ZINC001440911908 964252469 /nfs/dbraw/zinc/25/24/69/964252469.db2.gz AQZQSUIHUSPUIU-SNVBAGLBSA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1n[nH]cc1C ZINC001440911908 964252477 /nfs/dbraw/zinc/25/24/77/964252477.db2.gz AQZQSUIHUSPUIU-SNVBAGLBSA-N 1 2 270.764 1.521 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)N(CCC#N)CCC#N ZINC001346217600 964991716 /nfs/dbraw/zinc/99/17/16/964991716.db2.gz DDOKPYPEVBOFQG-UHFFFAOYSA-N 1 2 259.313 1.009 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1c(C)cnn1C ZINC001442489055 965087967 /nfs/dbraw/zinc/08/79/67/965087967.db2.gz SDPNGJAKQRCIMD-UHFFFAOYSA-N 1 2 270.764 1.143 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1c(C)cnn1C ZINC001442489055 965087975 /nfs/dbraw/zinc/08/79/75/965087975.db2.gz SDPNGJAKQRCIMD-UHFFFAOYSA-N 1 2 270.764 1.143 20 30 CDEDLO C#CCOc1ccc(CNC(=O)CCc2[nH+]ccn2C)cc1 ZINC001347148509 965393010 /nfs/dbraw/zinc/39/30/10/965393010.db2.gz MEAXHHVZUUQLLW-UHFFFAOYSA-N 1 2 297.358 1.681 20 30 CDEDLO CC(C)(C)C#CC(=O)N1CC[C@H]([NH2+]Cc2nncs2)C1 ZINC001480109603 967054425 /nfs/dbraw/zinc/05/44/25/967054425.db2.gz IVLIKDZGPZRZOF-NSHDSACASA-N 1 2 292.408 1.278 20 30 CDEDLO CN(Cc1ccc(C#N)cc1)C(=O)CCc1[nH+]ccn1C ZINC001548623922 967652563 /nfs/dbraw/zinc/65/25/63/967652563.db2.gz WLRVJUZKWNVPDV-UHFFFAOYSA-N 1 2 282.347 1.883 20 30 CDEDLO N#Cc1cc(C(=O)N2CCn3c[nH+]cc3C2)cs1 ZINC001450723009 967776570 /nfs/dbraw/zinc/77/65/70/967776570.db2.gz UUFLHDKWARPLRS-UHFFFAOYSA-N 1 2 258.306 1.472 20 30 CDEDLO COc1ncccc1C[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N ZINC001496679746 973039273 /nfs/dbraw/zinc/03/92/73/973039273.db2.gz MPRYPMWQRRHLGJ-LBPRGKRZSA-N 1 2 290.367 1.140 20 30 CDEDLO COc1ncccc1C[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N ZINC001496679746 973039285 /nfs/dbraw/zinc/03/92/85/973039285.db2.gz MPRYPMWQRRHLGJ-LBPRGKRZSA-N 1 2 290.367 1.140 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1ccn(CC)n1 ZINC001498289673 973810419 /nfs/dbraw/zinc/81/04/19/973810419.db2.gz UXYVVVKOGIZEOJ-GFCCVEGCSA-N 1 2 298.818 1.635 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1ccn(CC)n1 ZINC001498289673 973810429 /nfs/dbraw/zinc/81/04/29/973810429.db2.gz UXYVVVKOGIZEOJ-GFCCVEGCSA-N 1 2 298.818 1.635 20 30 CDEDLO C=C(Cl)CN1CC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001375322872 974337083 /nfs/dbraw/zinc/33/70/83/974337083.db2.gz BNUFXGXQWPHLDK-GFCCVEGCSA-N 1 2 296.802 1.296 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1c(C)nn(CC)c1C ZINC001377234263 974938349 /nfs/dbraw/zinc/93/83/49/974938349.db2.gz HBWRZHYBNFJKJI-UHFFFAOYSA-N 1 2 298.818 1.934 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1c(C)nn(CC)c1C ZINC001377234263 974938354 /nfs/dbraw/zinc/93/83/54/974938354.db2.gz HBWRZHYBNFJKJI-UHFFFAOYSA-N 1 2 298.818 1.934 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cncn1C ZINC001401753166 975876675 /nfs/dbraw/zinc/87/66/75/975876675.db2.gz ARAQGEZZLCZJTK-JTQLQIEISA-N 1 2 270.764 1.223 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cncn1C ZINC001401753166 975876682 /nfs/dbraw/zinc/87/66/82/975876682.db2.gz ARAQGEZZLCZJTK-JTQLQIEISA-N 1 2 270.764 1.223 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H](O)C(C)C ZINC001390125586 976127397 /nfs/dbraw/zinc/12/73/97/976127397.db2.gz LGSCYEANHGVURC-QWHCGFSZSA-N 1 2 288.819 1.727 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](O)C(C)C ZINC001390125586 976127405 /nfs/dbraw/zinc/12/74/05/976127405.db2.gz LGSCYEANHGVURC-QWHCGFSZSA-N 1 2 288.819 1.727 20 30 CDEDLO C[N@H+](CCNC(=O)C(F)C(F)(F)F)CCC(F)(F)F ZINC001390773738 976496124 /nfs/dbraw/zinc/49/61/24/976496124.db2.gz WSHDYVNNYUMDDB-ZCFIWIBFSA-N 1 2 298.202 1.887 20 30 CDEDLO C[N@@H+](CCNC(=O)C(F)C(F)(F)F)CCC(F)(F)F ZINC001390773738 976496128 /nfs/dbraw/zinc/49/61/28/976496128.db2.gz WSHDYVNNYUMDDB-ZCFIWIBFSA-N 1 2 298.202 1.887 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1COc2ccccc21 ZINC001390877020 976578230 /nfs/dbraw/zinc/57/82/30/976578230.db2.gz ZFJZXOCEGIUQOZ-CYBMUJFWSA-N 1 2 294.782 1.963 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1COc2ccccc21 ZINC001390877020 976578240 /nfs/dbraw/zinc/57/82/40/976578240.db2.gz ZFJZXOCEGIUQOZ-CYBMUJFWSA-N 1 2 294.782 1.963 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@@H]2CCCCO2)C1 ZINC001400460834 977041491 /nfs/dbraw/zinc/04/14/91/977041491.db2.gz FCFWONYLPKYHNW-ZDUSSCGKSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ncnc2[nH]ccc21 ZINC001403616488 977105387 /nfs/dbraw/zinc/10/53/87/977105387.db2.gz KFJVDRRNIJUSQO-UHFFFAOYSA-N 1 2 293.758 1.324 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ncnc2[nH]ccc21 ZINC001403616488 977105395 /nfs/dbraw/zinc/10/53/95/977105395.db2.gz KFJVDRRNIJUSQO-UHFFFAOYSA-N 1 2 293.758 1.324 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CCc1ccn(C)n1 ZINC001403853865 977229037 /nfs/dbraw/zinc/22/90/37/977229037.db2.gz REGBSKPJBOTELV-UHFFFAOYSA-N 1 2 298.818 1.543 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CCc1ccn(C)n1 ZINC001403853865 977229044 /nfs/dbraw/zinc/22/90/44/977229044.db2.gz REGBSKPJBOTELV-UHFFFAOYSA-N 1 2 298.818 1.543 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccnn1CC ZINC001392270122 977298704 /nfs/dbraw/zinc/29/87/04/977298704.db2.gz WNFDIGWMAUIYRJ-UHFFFAOYSA-N 1 2 284.791 1.659 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccnn1CC ZINC001392270122 977298708 /nfs/dbraw/zinc/29/87/08/977298708.db2.gz WNFDIGWMAUIYRJ-UHFFFAOYSA-N 1 2 284.791 1.659 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1cscn1 ZINC001392308499 977400292 /nfs/dbraw/zinc/40/02/92/977400292.db2.gz CVBWSHQGENACBA-UHFFFAOYSA-N 1 2 287.816 1.828 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1cscn1 ZINC001392308499 977400298 /nfs/dbraw/zinc/40/02/98/977400298.db2.gz CVBWSHQGENACBA-UHFFFAOYSA-N 1 2 287.816 1.828 20 30 CDEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001132564244 1163373217 /nfs/dbraw/zinc/37/32/17/1163373217.db2.gz BIEKLBIIEYGXCU-MNOVXSKESA-N 1 2 279.384 1.955 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NC1CC(C[NH2+]Cc2c[nH]nn2)C1 ZINC001575073143 1171104163 /nfs/dbraw/zinc/10/41/63/1171104163.db2.gz NKLFOXVVGNPJPB-QOZQQMKHSA-N 1 2 291.399 1.391 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NC1CC(C[NH2+]Cc2cn[nH]n2)C1 ZINC001575073143 1171104173 /nfs/dbraw/zinc/10/41/73/1171104173.db2.gz NKLFOXVVGNPJPB-QOZQQMKHSA-N 1 2 291.399 1.391 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)CCOC(=O)Cc1ccccc1 ZINC001657150047 1171934450 /nfs/dbraw/zinc/93/44/50/1171934450.db2.gz FXYVLOZYLJWQOR-ZDUSSCGKSA-N 1 2 260.337 1.864 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)CCOC(=O)Cc1ccccc1 ZINC001657150047 1171934457 /nfs/dbraw/zinc/93/44/57/1171934457.db2.gz FXYVLOZYLJWQOR-ZDUSSCGKSA-N 1 2 260.337 1.864 20 30 CDEDLO C[C@H](CC#N)[NH2+]Cc1csc(-c2cnn(C)c2)n1 ZINC000600144549 341979930 /nfs/dbraw/zinc/97/99/30/341979930.db2.gz LOSMRNSYAILBCD-SECBINFHSA-N 1 2 261.354 1.935 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000590022611 342520212 /nfs/dbraw/zinc/52/02/12/342520212.db2.gz KKECMFUVAVDULN-OLZOCXBDSA-N 1 2 253.342 1.463 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000590022611 342520213 /nfs/dbraw/zinc/52/02/13/342520213.db2.gz KKECMFUVAVDULN-OLZOCXBDSA-N 1 2 253.342 1.463 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000590203743 342524748 /nfs/dbraw/zinc/52/47/48/342524748.db2.gz UCKXTDAHCPFMFK-OCCSQVGLSA-N 1 2 255.358 1.445 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000590203743 342524749 /nfs/dbraw/zinc/52/47/49/342524749.db2.gz UCKXTDAHCPFMFK-OCCSQVGLSA-N 1 2 255.358 1.445 20 30 CDEDLO C=CCOc1ccc(C[N@H+]2CCN(CC)C(=O)C2)cc1 ZINC000351600601 361791875 /nfs/dbraw/zinc/79/18/75/361791875.db2.gz ZLNMSZGZADCLDD-UHFFFAOYSA-N 1 2 274.364 1.916 20 30 CDEDLO C=CCOc1ccc(C[N@@H+]2CCN(CC)C(=O)C2)cc1 ZINC000351600601 361791884 /nfs/dbraw/zinc/79/18/84/361791884.db2.gz ZLNMSZGZADCLDD-UHFFFAOYSA-N 1 2 274.364 1.916 20 30 CDEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2cccnc2N)CC1 ZINC000590709359 342585182 /nfs/dbraw/zinc/58/51/82/342585182.db2.gz LNGHAIGKXKTISK-AWEZNQCLSA-N 1 2 273.384 1.330 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCCc2ccccc21 ZINC000609030885 342087666 /nfs/dbraw/zinc/08/76/66/342087666.db2.gz QWWMUGNEKWHXOV-LBPRGKRZSA-N 1 2 257.337 1.858 20 30 CDEDLO CC[C@@H](C(=O)N=c1[nH][nH]c(C2CC2)c1C#N)[NH+](CC)CC ZINC000601739388 342135204 /nfs/dbraw/zinc/13/52/04/342135204.db2.gz UCDKDFMPDBYFQY-LBPRGKRZSA-N 1 2 289.383 1.640 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000591880226 342652161 /nfs/dbraw/zinc/65/21/61/342652161.db2.gz YEJKOYJWPMNATK-BFHYXJOUSA-N 1 2 287.367 1.922 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000592193460 342674574 /nfs/dbraw/zinc/67/45/74/342674574.db2.gz AJBJWQDMUSDRDF-TZMCWYRMSA-N 1 2 292.310 1.053 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000592193460 342674576 /nfs/dbraw/zinc/67/45/76/342674576.db2.gz AJBJWQDMUSDRDF-TZMCWYRMSA-N 1 2 292.310 1.053 20 30 CDEDLO CC[C@H]1COC(C)(C)C[N@@H+]1CC(=O)N(CC)C[C@H](C)C#N ZINC000593056884 342760268 /nfs/dbraw/zinc/76/02/68/342760268.db2.gz QKVOGQYLAHUETQ-KGLIPLIRSA-N 1 2 295.427 1.884 20 30 CDEDLO CC[C@H]1COC(C)(C)C[N@H+]1CC(=O)N(CC)C[C@H](C)C#N ZINC000593056884 342760269 /nfs/dbraw/zinc/76/02/69/342760269.db2.gz QKVOGQYLAHUETQ-KGLIPLIRSA-N 1 2 295.427 1.884 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)[C@@H](C)CO1 ZINC000593063326 342761518 /nfs/dbraw/zinc/76/15/18/342761518.db2.gz LPSNDLAPDYLDIA-LNSITVRQSA-N 1 2 279.384 1.294 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)[C@@H](C)CO1 ZINC000593063326 342761519 /nfs/dbraw/zinc/76/15/19/342761519.db2.gz LPSNDLAPDYLDIA-LNSITVRQSA-N 1 2 279.384 1.294 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccc2c(c1)COC2 ZINC000593154988 342774366 /nfs/dbraw/zinc/77/43/66/342774366.db2.gz WGWGZJYIEUSUEJ-INIZCTEOSA-N 1 2 287.363 1.219 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1ccccc1F ZINC000593155648 342774462 /nfs/dbraw/zinc/77/44/62/342774462.db2.gz NIWXUGRZENFHOV-OAHLLOKOSA-N 1 2 277.343 1.718 20 30 CDEDLO C[C@@H](CC(=O)N1CCC[C@@](C)(C#N)C1)n1cc[nH+]c1 ZINC000593599899 342817603 /nfs/dbraw/zinc/81/76/03/342817603.db2.gz YRKKFGQYIYZVFM-JSGCOSHPSA-N 1 2 260.341 1.986 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1c(F)cc(C#N)cc1F ZINC000335875233 361921424 /nfs/dbraw/zinc/92/14/24/361921424.db2.gz CRLOFHZBNSECCG-UHFFFAOYSA-N 1 2 276.246 1.798 20 30 CDEDLO Cc1c[nH]c(C(C)(C)NC(=O)c2c[nH]c(C#N)c2)[nH+]1 ZINC000593734139 342830486 /nfs/dbraw/zinc/83/04/86/342830486.db2.gz VEMYIKDSMGEFOP-UHFFFAOYSA-N 1 2 257.297 1.583 20 30 CDEDLO CC[C@@H]1COCCN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329727812 361983994 /nfs/dbraw/zinc/98/39/94/361983994.db2.gz GYFLKGNFRXBMHU-WDEREUQCSA-N 1 2 278.356 1.292 20 30 CDEDLO CC[C@@H]1COCCN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329727812 361983997 /nfs/dbraw/zinc/98/39/97/361983997.db2.gz GYFLKGNFRXBMHU-WDEREUQCSA-N 1 2 278.356 1.292 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N[C@@]3(C#N)CCSC3)ccn12 ZINC000594257888 342885313 /nfs/dbraw/zinc/88/53/13/342885313.db2.gz QJDZQDLLPHITMO-CQSZACIVSA-N 1 2 286.360 1.772 20 30 CDEDLO COCC[N@H+](C)Cc1cn([C@@H]2CC[C@@H](C#N)C2)nn1 ZINC000600813060 342250372 /nfs/dbraw/zinc/25/03/72/342250372.db2.gz JSXZHWOBFQGUCR-DGCLKSJQSA-N 1 2 263.345 1.221 20 30 CDEDLO COCC[N@@H+](C)Cc1cn([C@@H]2CC[C@@H](C#N)C2)nn1 ZINC000600813060 342250373 /nfs/dbraw/zinc/25/03/73/342250373.db2.gz JSXZHWOBFQGUCR-DGCLKSJQSA-N 1 2 263.345 1.221 20 30 CDEDLO Cc1cn2ccc(NC(=O)C(=O)N(C)C[C@H](C)C#N)cc2[nH+]1 ZINC000595004938 342995733 /nfs/dbraw/zinc/99/57/33/342995733.db2.gz USIUTRZIVQNJQM-SNVBAGLBSA-N 1 2 299.334 1.199 20 30 CDEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCCOCC3)o2)cc1 ZINC000075675052 342314537 /nfs/dbraw/zinc/31/45/37/342314537.db2.gz OXVDSTRHMICAIO-UHFFFAOYSA-N 1 2 284.319 1.831 20 30 CDEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCCOCC3)o2)cc1 ZINC000075675052 342314538 /nfs/dbraw/zinc/31/45/38/342314538.db2.gz OXVDSTRHMICAIO-UHFFFAOYSA-N 1 2 284.319 1.831 20 30 CDEDLO CCO[C@H](C)c1noc(C[N@H+](C)CCCC#N)n1 ZINC000075886851 342315574 /nfs/dbraw/zinc/31/55/74/342315574.db2.gz JMJSZYXXPHPJJH-SNVBAGLBSA-N 1 2 252.318 1.903 20 30 CDEDLO CCO[C@H](C)c1noc(C[N@@H+](C)CCCC#N)n1 ZINC000075886851 342315575 /nfs/dbraw/zinc/31/55/75/342315575.db2.gz JMJSZYXXPHPJJH-SNVBAGLBSA-N 1 2 252.318 1.903 20 30 CDEDLO CC(C)CN1CC[N@H+](CCc2ccc(C#N)cc2)CC1=O ZINC000595444532 343063359 /nfs/dbraw/zinc/06/33/59/343063359.db2.gz AMIJIVCOIAYHCU-UHFFFAOYSA-N 1 2 285.391 1.901 20 30 CDEDLO CC(C)CN1CC[N@@H+](CCc2ccc(C#N)cc2)CC1=O ZINC000595444532 343063361 /nfs/dbraw/zinc/06/33/61/343063361.db2.gz AMIJIVCOIAYHCU-UHFFFAOYSA-N 1 2 285.391 1.901 20 30 CDEDLO C[C@@H]1C[NH+](CCc2ccc(C#N)cc2)C[C@@H](C)S1=O ZINC000595454469 343067037 /nfs/dbraw/zinc/06/70/37/343067037.db2.gz LLERPWQGVFQLFM-CHWSQXEVSA-N 1 2 276.405 1.942 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595546855 343084351 /nfs/dbraw/zinc/08/43/51/343084351.db2.gz JLFUSZUREIPSPL-VIFPVBQESA-N 1 2 258.281 1.840 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595546855 343084353 /nfs/dbraw/zinc/08/43/53/343084353.db2.gz JLFUSZUREIPSPL-VIFPVBQESA-N 1 2 258.281 1.840 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595610272 343108606 /nfs/dbraw/zinc/10/86/06/343108606.db2.gz VCPOPXILRIJPBE-DZGCQCFKSA-N 1 2 276.384 1.667 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595610272 343108607 /nfs/dbraw/zinc/10/86/07/343108607.db2.gz VCPOPXILRIJPBE-DZGCQCFKSA-N 1 2 276.384 1.667 20 30 CDEDLO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611865 343108769 /nfs/dbraw/zinc/10/87/69/343108769.db2.gz OBMCJBNVTYVSSG-VHSXEESVSA-N 1 2 277.290 1.679 20 30 CDEDLO C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611865 343108772 /nfs/dbraw/zinc/10/87/72/343108772.db2.gz OBMCJBNVTYVSSG-VHSXEESVSA-N 1 2 277.290 1.679 20 30 CDEDLO C=CC[N@@H+](Cc1[nH]nc(C)c1C(=O)OCC)[C@H](C)COC ZINC000595638492 343123115 /nfs/dbraw/zinc/12/31/15/343123115.db2.gz GZVXCGZCRSVRNF-LLVKDONJSA-N 1 2 295.383 1.918 20 30 CDEDLO C=CC[N@H+](Cc1[nH]nc(C)c1C(=O)OCC)[C@H](C)COC ZINC000595638492 343123117 /nfs/dbraw/zinc/12/31/17/343123117.db2.gz GZVXCGZCRSVRNF-LLVKDONJSA-N 1 2 295.383 1.918 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)C(=O)NC2CC2)c1 ZINC000080049667 342349792 /nfs/dbraw/zinc/34/97/92/342349792.db2.gz QYKCUYXTCIAYBU-LBPRGKRZSA-N 1 2 299.374 1.205 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)C(=O)NC2CC2)c1 ZINC000080049667 342349793 /nfs/dbraw/zinc/34/97/93/342349793.db2.gz QYKCUYXTCIAYBU-LBPRGKRZSA-N 1 2 299.374 1.205 20 30 CDEDLO Cn1ncc(C#N)c1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000596074080 343225954 /nfs/dbraw/zinc/22/59/54/343225954.db2.gz YBOGAIDNKRGMSX-UHFFFAOYSA-N 1 2 282.351 1.899 20 30 CDEDLO CCc1nc(C#N)cc(NCc2c[nH+]ccc2OC)n1 ZINC000596241440 343284564 /nfs/dbraw/zinc/28/45/64/343284564.db2.gz FHLZGXOZQYBAHA-UHFFFAOYSA-N 1 2 269.308 1.348 20 30 CDEDLO Cc1cc2[nH+]cn(Cc3cn(CC#N)nn3)c2cc1C ZINC000600972203 342386232 /nfs/dbraw/zinc/38/62/32/342386232.db2.gz BLBBCORWXNJGMP-UHFFFAOYSA-N 1 2 266.308 1.817 20 30 CDEDLO Cc1cc(C#N)nc(N2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000619570361 349806327 /nfs/dbraw/zinc/80/63/27/349806327.db2.gz KERFLSZVZXFYFV-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)C2(C#N)CCCCC2)[C@@H](C)CO1 ZINC000597998693 343685322 /nfs/dbraw/zinc/68/53/22/343685322.db2.gz QCAMPECHPIOWEX-UONOGXRCSA-N 1 2 293.411 1.686 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)C2(C#N)CCCCC2)[C@@H](C)CO1 ZINC000597998693 343685323 /nfs/dbraw/zinc/68/53/23/343685323.db2.gz QCAMPECHPIOWEX-UONOGXRCSA-N 1 2 293.411 1.686 20 30 CDEDLO COC(=O)c1cccc(C[N@@H+]2CCCO[C@@H](C)C2)c1C#N ZINC000535965502 282296274 /nfs/dbraw/zinc/29/62/74/282296274.db2.gz ZCHHJUASVWUGMK-LBPRGKRZSA-N 1 2 288.347 1.956 20 30 CDEDLO COC(=O)c1cccc(C[N@H+]2CCCO[C@@H](C)C2)c1C#N ZINC000535965502 282296276 /nfs/dbraw/zinc/29/62/76/282296276.db2.gz ZCHHJUASVWUGMK-LBPRGKRZSA-N 1 2 288.347 1.956 20 30 CDEDLO C=C[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)C(=O)OC ZINC000619703650 349859780 /nfs/dbraw/zinc/85/97/80/349859780.db2.gz PWESMZMNKLFQRA-SGMGOOAPSA-N 1 2 253.342 1.509 20 30 CDEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)Cc1cc(F)cc(F)c1 ZINC000347114938 529831537 /nfs/dbraw/zinc/83/15/37/529831537.db2.gz BTNINCSOVWLDKF-UHFFFAOYSA-N 1 2 293.317 1.959 20 30 CDEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1cc(F)cc(F)c1 ZINC000347114938 529831538 /nfs/dbraw/zinc/83/15/38/529831538.db2.gz BTNINCSOVWLDKF-UHFFFAOYSA-N 1 2 293.317 1.959 20 30 CDEDLO CCOc1cncc(C[NH+]2CCN(CC#N)CC2)c1 ZINC000598669501 343872247 /nfs/dbraw/zinc/87/22/47/343872247.db2.gz BEYIIFVWVOMVGM-UHFFFAOYSA-N 1 2 260.341 1.121 20 30 CDEDLO N#C[C@]1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CC12CCCC2 ZINC000598950106 343933499 /nfs/dbraw/zinc/93/34/99/343933499.db2.gz OVTYIWMIVYZBCY-WBMJQRKESA-N 1 2 284.363 1.788 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2ncsc2C1 ZINC000445849477 362273544 /nfs/dbraw/zinc/27/35/44/362273544.db2.gz ONRPKMMTDPYMAL-UHFFFAOYSA-N 1 2 278.381 1.263 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2ncsc2C1 ZINC000445849477 362273549 /nfs/dbraw/zinc/27/35/49/362273549.db2.gz ONRPKMMTDPYMAL-UHFFFAOYSA-N 1 2 278.381 1.263 20 30 CDEDLO C=CC[N@@H+](C)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000127148640 187285105 /nfs/dbraw/zinc/28/51/05/187285105.db2.gz PCGGHQZXDJSCEQ-ZDUSSCGKSA-N 1 2 269.366 1.241 20 30 CDEDLO C=CC[N@H+](C)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000127148640 187285107 /nfs/dbraw/zinc/28/51/07/187285107.db2.gz PCGGHQZXDJSCEQ-ZDUSSCGKSA-N 1 2 269.366 1.241 20 30 CDEDLO COc1ccccc1N1CC[C@H]([NH2+]CCC#N)C1=O ZINC000569685996 362377905 /nfs/dbraw/zinc/37/79/05/362377905.db2.gz CAGWNJAWKDRASH-NSHDSACASA-N 1 2 259.309 1.304 20 30 CDEDLO C[C@H](C#N)N(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000602423172 344420775 /nfs/dbraw/zinc/42/07/75/344420775.db2.gz IVTBASZJPXCCLT-GFCCVEGCSA-N 1 2 268.320 1.915 20 30 CDEDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@H](C)C#N ZINC000602772049 344576365 /nfs/dbraw/zinc/57/63/65/344576365.db2.gz NFBSZZXHOWGPQO-SECBINFHSA-N 1 2 251.290 1.191 20 30 CDEDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@H](C)C#N ZINC000602772049 344576367 /nfs/dbraw/zinc/57/63/67/344576367.db2.gz NFBSZZXHOWGPQO-SECBINFHSA-N 1 2 251.290 1.191 20 30 CDEDLO C[N@H+](Cc1nnc2ccccn21)CC1(CC#N)CC1 ZINC000602776962 344584123 /nfs/dbraw/zinc/58/41/23/344584123.db2.gz BRWJSBNEBWAHEK-UHFFFAOYSA-N 1 2 255.325 1.855 20 30 CDEDLO C[N@@H+](Cc1nnc2ccccn21)CC1(CC#N)CC1 ZINC000602776962 344584125 /nfs/dbraw/zinc/58/41/25/344584125.db2.gz BRWJSBNEBWAHEK-UHFFFAOYSA-N 1 2 255.325 1.855 20 30 CDEDLO Cc1ncccc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330335336 362460352 /nfs/dbraw/zinc/46/03/52/362460352.db2.gz YYZACACFBQZVOT-NSHDSACASA-N 1 2 256.309 1.906 20 30 CDEDLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N)c(OC)c1 ZINC000602864127 344637651 /nfs/dbraw/zinc/63/76/51/344637651.db2.gz QUFIDRWXPBCOHF-WDEREUQCSA-N 1 2 291.351 1.923 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000602870423 344641133 /nfs/dbraw/zinc/64/11/33/344641133.db2.gz TUAZPZKLQPBNAY-MRVPVSSYSA-N 1 2 281.385 1.666 20 30 CDEDLO Cc1noc(C)c1C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609485870 344915089 /nfs/dbraw/zinc/91/50/89/344915089.db2.gz ZATDJVWJLCIWMP-HNNXBMFYSA-N 1 2 276.384 1.957 20 30 CDEDLO CCCN(CC#N)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271349004 345358902 /nfs/dbraw/zinc/35/89/02/345358902.db2.gz VSRXPNFYFKEENC-UHFFFAOYSA-N 1 2 269.308 1.643 20 30 CDEDLO CC(C)OCC[NH+]1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000080489963 345616513 /nfs/dbraw/zinc/61/65/13/345616513.db2.gz CUBJUKMPWHFDOP-UHFFFAOYSA-N 1 2 279.384 1.249 20 30 CDEDLO N#Cc1cncnc1N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601257655 349934900 /nfs/dbraw/zinc/93/49/00/349934900.db2.gz QWDGGARZYYFBNG-UHFFFAOYSA-N 1 2 295.346 1.376 20 30 CDEDLO N#Cc1c2c(cn(Cc3[nH+]ccn3C(F)F)c1=O)CCC2 ZINC000618647383 345671954 /nfs/dbraw/zinc/67/19/54/345671954.db2.gz UAQMOGBZKSVPIQ-UHFFFAOYSA-N 1 2 290.273 1.849 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617729808 345938755 /nfs/dbraw/zinc/93/87/55/345938755.db2.gz HLRWXHGCWMPKTO-ZIAGYGMSSA-N 1 2 280.412 1.980 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617729808 345938758 /nfs/dbraw/zinc/93/87/58/345938758.db2.gz HLRWXHGCWMPKTO-ZIAGYGMSSA-N 1 2 280.412 1.980 20 30 CDEDLO Nc1ncc2c(n1)C[N@@H+](CC#Cc1cccc(Cl)c1)CC2 ZINC000623291097 346008868 /nfs/dbraw/zinc/00/88/68/346008868.db2.gz BOIKQCZAXOXOSL-UHFFFAOYSA-N 1 2 298.777 1.952 20 30 CDEDLO Nc1ncc2c(n1)C[N@H+](CC#Cc1cccc(Cl)c1)CC2 ZINC000623291097 346008870 /nfs/dbraw/zinc/00/88/70/346008870.db2.gz BOIKQCZAXOXOSL-UHFFFAOYSA-N 1 2 298.777 1.952 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610504902 346297009 /nfs/dbraw/zinc/29/70/09/346297009.db2.gz HAPLLABSRDJVLK-ZDUSSCGKSA-N 1 2 291.326 1.584 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610504902 346297012 /nfs/dbraw/zinc/29/70/12/346297012.db2.gz HAPLLABSRDJVLK-ZDUSSCGKSA-N 1 2 291.326 1.584 20 30 CDEDLO C[C@H](CC#N)[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000610797718 346433649 /nfs/dbraw/zinc/43/36/49/346433649.db2.gz BXPUTEPWLUTCEI-SNVBAGLBSA-N 1 2 270.329 1.491 20 30 CDEDLO Cc1nc(CN(CCC#N)CC[NH+]2CCOCC2)cs1 ZINC000078687022 260302273 /nfs/dbraw/zinc/30/22/73/260302273.db2.gz LDQBZCFFNDHURC-UHFFFAOYSA-N 1 2 294.424 1.499 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)[nH]1 ZINC000611030227 346584697 /nfs/dbraw/zinc/58/46/97/346584697.db2.gz ZDFTZTNOOGZMRB-UHFFFAOYSA-N 1 2 268.276 1.185 20 30 CDEDLO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611176163 346632079 /nfs/dbraw/zinc/63/20/79/346632079.db2.gz UZHXGUOUFKSMJD-ZDUSSCGKSA-N 1 2 280.416 1.211 20 30 CDEDLO CN(CC(=O)NCc1cccc(C#N)c1)Cc1[nH]cc[nH+]1 ZINC000611237043 346705831 /nfs/dbraw/zinc/70/58/31/346705831.db2.gz RSNXPJOFPCNIJG-UHFFFAOYSA-N 1 2 283.335 1.030 20 30 CDEDLO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)CC#N)cc1 ZINC000611465851 346791129 /nfs/dbraw/zinc/79/11/29/346791129.db2.gz SPANZZQEHUWZRE-NSHDSACASA-N 1 2 266.366 1.872 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)NCCc1ccc(C#N)cc1 ZINC000601619625 349980122 /nfs/dbraw/zinc/98/01/22/349980122.db2.gz DUBOKFQJIGIDML-UHFFFAOYSA-N 1 2 283.335 1.665 20 30 CDEDLO Cn1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1C1CCC1 ZINC000576164076 348487430 /nfs/dbraw/zinc/48/74/30/348487430.db2.gz KHLHNIMEDFFUGC-MRXNPFEDSA-N 1 2 288.395 1.866 20 30 CDEDLO Cc1c(Cl)cnc(N(C)CC[NH+]2CCOCC2)c1C#N ZINC000273384806 192134328 /nfs/dbraw/zinc/13/43/28/192134328.db2.gz UBHFPMRVGFITQP-UHFFFAOYSA-N 1 2 294.786 1.684 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000044089391 348762334 /nfs/dbraw/zinc/76/23/34/348762334.db2.gz MJKTYKCNNRSUGL-UHFFFAOYSA-N 1 2 262.740 1.731 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000068468208 349067272 /nfs/dbraw/zinc/06/72/72/349067272.db2.gz KIKODZAVXWZYCU-UHFFFAOYSA-N 1 2 278.302 1.746 20 30 CDEDLO CCn1cc(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)cn1 ZINC000072980816 349144243 /nfs/dbraw/zinc/14/42/43/349144243.db2.gz MTMZTANWISHPAS-HNNXBMFYSA-N 1 2 291.399 1.389 20 30 CDEDLO CCn1cc(C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)cn1 ZINC000072980816 349144247 /nfs/dbraw/zinc/14/42/47/349144247.db2.gz MTMZTANWISHPAS-HNNXBMFYSA-N 1 2 291.399 1.389 20 30 CDEDLO N#Cc1cccc(C[NH2+]Cc2nccn2C(F)F)n1 ZINC000602525792 350119685 /nfs/dbraw/zinc/11/96/85/350119685.db2.gz BHJDGYBCTSXQEC-UHFFFAOYSA-N 1 2 263.251 1.835 20 30 CDEDLO CCCCC[N@H+](CC(N)=O)Cc1cccc(C#N)n1 ZINC000602606986 350131769 /nfs/dbraw/zinc/13/17/69/350131769.db2.gz QEHYXCJZOSDMAG-UHFFFAOYSA-N 1 2 260.341 1.431 20 30 CDEDLO CCCCC[N@@H+](CC(N)=O)Cc1cccc(C#N)n1 ZINC000602606986 350131779 /nfs/dbraw/zinc/13/17/79/350131779.db2.gz QEHYXCJZOSDMAG-UHFFFAOYSA-N 1 2 260.341 1.431 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2cccc(C#N)n2)[C@H](C(N)=O)C1 ZINC000602626494 350133518 /nfs/dbraw/zinc/13/35/18/350133518.db2.gz ZERVMHVUBXBVQB-GWCFXTLKSA-N 1 2 258.325 1.039 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2cccc(C#N)n2)[C@H](C(N)=O)C1 ZINC000602626494 350133521 /nfs/dbraw/zinc/13/35/21/350133521.db2.gz ZERVMHVUBXBVQB-GWCFXTLKSA-N 1 2 258.325 1.039 20 30 CDEDLO CC(C)(C)c1nnc(C[NH2+]Cc2cccc(C#N)n2)[nH]1 ZINC000602690579 350141811 /nfs/dbraw/zinc/14/18/11/350141811.db2.gz JUXLMYHHRDWVFA-UHFFFAOYSA-N 1 2 270.340 1.659 20 30 CDEDLO N#Cc1ccc(O[C@@H]2CCN(c3cc(CO)cc[nH+]3)C2)nc1 ZINC000603387324 350270394 /nfs/dbraw/zinc/27/03/94/350270394.db2.gz KLSCCGAURFDYSU-CQSZACIVSA-N 1 2 296.330 1.498 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000292187766 198195145 /nfs/dbraw/zinc/19/51/45/198195145.db2.gz KZVVJFCCJGOBAY-GFCCVEGCSA-N 1 2 296.367 1.564 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000292187766 198195147 /nfs/dbraw/zinc/19/51/47/198195147.db2.gz KZVVJFCCJGOBAY-GFCCVEGCSA-N 1 2 296.367 1.564 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000292731116 198391915 /nfs/dbraw/zinc/39/19/15/198391915.db2.gz GOMOGYMSSLOGAI-UHFFFAOYSA-N 1 2 288.391 1.955 20 30 CDEDLO C=CCNC(=O)C[NH2+]Cc1ncc(CSC)s1 ZINC000293287428 198587867 /nfs/dbraw/zinc/58/78/67/198587867.db2.gz ONOUHHFAHDNBTH-UHFFFAOYSA-N 1 2 271.411 1.398 20 30 CDEDLO C=CCC[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(=O)OCC ZINC000492948220 366186702 /nfs/dbraw/zinc/18/67/02/366186702.db2.gz BJOCLKPJZDKRMP-QDZRJHCZSA-N 1 2 277.324 1.437 20 30 CDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(C#N)cc1 ZINC000285682572 291065968 /nfs/dbraw/zinc/06/59/68/291065968.db2.gz GJZKVGDPPCDMAV-XJKSGUPXSA-N 1 2 299.374 1.493 20 30 CDEDLO C=CCNC(=O)C[NH2+]Cc1ccncc1Br ZINC000631108743 356354882 /nfs/dbraw/zinc/35/48/82/356354882.db2.gz GIMBHEAGGIASCD-UHFFFAOYSA-N 1 2 284.157 1.236 20 30 CDEDLO CCn1cc[nH+]c1CNC(=O)c1cc(C#N)cs1 ZINC000295856943 199694300 /nfs/dbraw/zinc/69/43/00/199694300.db2.gz WVDIFJRTPGKEMM-UHFFFAOYSA-N 1 2 260.322 1.766 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CCS(=O)(=O)c1cccc(OC)c1 ZINC000584003142 356423431 /nfs/dbraw/zinc/42/34/31/356423431.db2.gz WNOUAOADZYYAQT-LBPRGKRZSA-N 1 2 296.392 1.751 20 30 CDEDLO C[C@H]1CCCN(C(=O)C[NH+]2CCC(F)(C#N)CC2)C1 ZINC000352492487 363531752 /nfs/dbraw/zinc/53/17/52/363531752.db2.gz YPHKEYKKRZWJEJ-LBPRGKRZSA-N 1 2 267.348 1.573 20 30 CDEDLO N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CCn3c[nH+]cc3C1)CC2 ZINC000328884604 202095203 /nfs/dbraw/zinc/09/52/03/202095203.db2.gz YPQUPXKAGNDVFT-CQSZACIVSA-N 1 2 292.342 1.906 20 30 CDEDLO C[C@]1(CO)CCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000329522010 538579292 /nfs/dbraw/zinc/57/92/92/538579292.db2.gz FZRQPTJGEPMKBE-WCQYABFASA-N 1 2 251.330 1.850 20 30 CDEDLO C[C@]1(CO)CCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000329522010 538579303 /nfs/dbraw/zinc/57/93/03/538579303.db2.gz FZRQPTJGEPMKBE-WCQYABFASA-N 1 2 251.330 1.850 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)CSc1nc(N)cc(C)[nH+]1 ZINC000048597366 356967035 /nfs/dbraw/zinc/96/70/35/356967035.db2.gz YIDWUGOECWBPSO-VIFPVBQESA-N 1 2 293.396 1.468 20 30 CDEDLO Cc1cc(N2CCC[C@H](N3CCNC3=O)C2)c(C#N)c[nH+]1 ZINC000566135894 357425476 /nfs/dbraw/zinc/42/54/76/357425476.db2.gz MUTULLIHOQWSEV-ZDUSSCGKSA-N 1 2 285.351 1.256 20 30 CDEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCOC1 ZINC000135121592 357674903 /nfs/dbraw/zinc/67/49/03/357674903.db2.gz SCPFVGRMPAUKNC-ZDUSSCGKSA-N 1 2 294.376 1.053 20 30 CDEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCOC1 ZINC000135121592 357674905 /nfs/dbraw/zinc/67/49/05/357674905.db2.gz SCPFVGRMPAUKNC-ZDUSSCGKSA-N 1 2 294.376 1.053 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H](C)O1 ZINC000188393797 357890972 /nfs/dbraw/zinc/89/09/72/357890972.db2.gz ZOYOGJNGXGSAKZ-GHMZBOCLSA-N 1 2 266.366 1.855 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H](C)O1 ZINC000188393797 357890976 /nfs/dbraw/zinc/89/09/76/357890976.db2.gz ZOYOGJNGXGSAKZ-GHMZBOCLSA-N 1 2 266.366 1.855 20 30 CDEDLO CNC(=O)C[NH+]1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000264681505 358060478 /nfs/dbraw/zinc/06/04/78/358060478.db2.gz WXHYEMFIWFAUPZ-UHFFFAOYSA-N 1 2 292.770 1.080 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)o1 ZINC000287002340 358080151 /nfs/dbraw/zinc/08/01/51/358080151.db2.gz UFNJBDQVOHMYCD-UHFFFAOYSA-N 1 2 295.364 1.010 20 30 CDEDLO N#CCCCCNc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000192304110 358187901 /nfs/dbraw/zinc/18/79/01/358187901.db2.gz UXURUSIRCQTAMJ-ZDUSSCGKSA-N 1 2 289.383 1.934 20 30 CDEDLO N#CCCCCNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000192304110 358187906 /nfs/dbraw/zinc/18/79/06/358187906.db2.gz UXURUSIRCQTAMJ-ZDUSSCGKSA-N 1 2 289.383 1.934 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000563081064 358659538 /nfs/dbraw/zinc/65/95/38/358659538.db2.gz KXFYZDVKHMVXHX-UONOGXRCSA-N 1 2 293.411 1.638 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000563081064 358659540 /nfs/dbraw/zinc/65/95/40/358659540.db2.gz KXFYZDVKHMVXHX-UONOGXRCSA-N 1 2 293.411 1.638 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1ccc(F)cc1 ZINC000493829506 366496079 /nfs/dbraw/zinc/49/60/79/366496079.db2.gz WXSMTRISNHSGJB-AJHXJQRKSA-N 1 2 275.327 1.799 20 30 CDEDLO C=CC[N@H+](CC(=O)N1CC(=O)Nc2ccccc21)C1CC1 ZINC000271460443 359429638 /nfs/dbraw/zinc/42/96/38/359429638.db2.gz PSYUJPJQYGLCSS-UHFFFAOYSA-N 1 2 285.347 1.622 20 30 CDEDLO C=CC[N@@H+](CC(=O)N1CC(=O)Nc2ccccc21)C1CC1 ZINC000271460443 359429645 /nfs/dbraw/zinc/42/96/45/359429645.db2.gz PSYUJPJQYGLCSS-UHFFFAOYSA-N 1 2 285.347 1.622 20 30 CDEDLO N#Cc1cccc(F)c1CC(=O)NCCNc1cccc[nH+]1 ZINC000479449252 359432030 /nfs/dbraw/zinc/43/20/30/359432030.db2.gz ZCRJXNZQBCRFPF-UHFFFAOYSA-N 1 2 298.321 1.863 20 30 CDEDLO C=CCCOCCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000270113463 359390849 /nfs/dbraw/zinc/39/08/49/359390849.db2.gz HEXCSGUNENUYCO-LBPRGKRZSA-N 1 2 266.345 1.164 20 30 CDEDLO C=CC[NH+]1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000272326942 359454916 /nfs/dbraw/zinc/45/49/16/359454916.db2.gz MDFMLLKUBLBAHG-AWEZNQCLSA-N 1 2 293.798 1.670 20 30 CDEDLO C#CCN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)C1CC1 ZINC000274112302 359491995 /nfs/dbraw/zinc/49/19/95/359491995.db2.gz LUCVHIJTAOHWEG-UHFFFAOYSA-N 1 2 298.390 1.989 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]([C@@H](C)C(=O)OC)C1CCC1 ZINC000276826801 359550945 /nfs/dbraw/zinc/55/09/45/359550945.db2.gz QCKBQQPZRFYHQZ-ZDUSSCGKSA-N 1 2 294.395 1.603 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]([C@@H](C)C(=O)OC)C1CCC1 ZINC000276826801 359550947 /nfs/dbraw/zinc/55/09/47/359550947.db2.gz QCKBQQPZRFYHQZ-ZDUSSCGKSA-N 1 2 294.395 1.603 20 30 CDEDLO Cc1nc(NCCCCN2CC[NH+](C)CC2)ccc1C#N ZINC000571830471 359618511 /nfs/dbraw/zinc/61/85/11/359618511.db2.gz VTHOKEUCWALDMK-UHFFFAOYSA-N 1 2 287.411 1.123 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1nc(C)no1 ZINC000348116138 359842792 /nfs/dbraw/zinc/84/27/92/359842792.db2.gz VTZXJFCVJNGSEV-NXEZZACHSA-N 1 2 279.344 1.037 20 30 CDEDLO N#Cc1ccccc1S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000542054991 359925085 /nfs/dbraw/zinc/92/50/85/359925085.db2.gz DQZLCENGNJHFHM-UHFFFAOYSA-N 1 2 288.332 1.000 20 30 CDEDLO CC[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000298307551 200390013 /nfs/dbraw/zinc/39/00/13/200390013.db2.gz YHNPHAOTCWTMBF-CVEARBPZSA-N 1 2 299.374 1.774 20 30 CDEDLO CC[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000298307551 200390015 /nfs/dbraw/zinc/39/00/15/200390015.db2.gz YHNPHAOTCWTMBF-CVEARBPZSA-N 1 2 299.374 1.774 20 30 CDEDLO Cn1ncnc1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000177123799 189030364 /nfs/dbraw/zinc/03/03/64/189030364.db2.gz PAQALXSRGHPGAR-UHFFFAOYSA-N 1 2 297.362 1.730 20 30 CDEDLO Cn1ccnc1C[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000062251972 360262795 /nfs/dbraw/zinc/26/27/95/360262795.db2.gz YMLIMXSPPKVRBT-AWEZNQCLSA-N 1 2 270.336 1.457 20 30 CDEDLO Cn1ccnc1C[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000062251972 360262801 /nfs/dbraw/zinc/26/28/01/360262801.db2.gz YMLIMXSPPKVRBT-AWEZNQCLSA-N 1 2 270.336 1.457 20 30 CDEDLO N#Cc1csc(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000177391070 189046878 /nfs/dbraw/zinc/04/68/78/189046878.db2.gz MNRXQSGGVFCCGI-UHFFFAOYSA-N 1 2 260.322 1.636 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1ccc(COC)cc1 ZINC000516488907 360602756 /nfs/dbraw/zinc/60/27/56/360602756.db2.gz PJDOAAYRHQWPEL-HNNXBMFYSA-N 1 2 289.379 1.731 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1occc1C ZINC000429361901 360812426 /nfs/dbraw/zinc/81/24/26/360812426.db2.gz LHDVKMKJMKJCTL-UHFFFAOYSA-N 1 2 263.341 1.782 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1occc1C ZINC000429361901 360812430 /nfs/dbraw/zinc/81/24/30/360812430.db2.gz LHDVKMKJMKJCTL-UHFFFAOYSA-N 1 2 263.341 1.782 20 30 CDEDLO CCn1nccc1C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000429722862 360872287 /nfs/dbraw/zinc/87/22/87/360872287.db2.gz ZWVBPKGUIHVJHS-LBPRGKRZSA-N 1 2 277.372 1.095 20 30 CDEDLO CCn1nccc1C[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000429722862 360872293 /nfs/dbraw/zinc/87/22/93/360872293.db2.gz ZWVBPKGUIHVJHS-LBPRGKRZSA-N 1 2 277.372 1.095 20 30 CDEDLO CC(C)(C(N)=O)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000267494624 360914330 /nfs/dbraw/zinc/91/43/30/360914330.db2.gz HAACXBAJXJTJTC-UHFFFAOYSA-N 1 2 290.342 1.083 20 30 CDEDLO C[C@@H]1CC[N@H+](CC(=O)NCC#N)[C@@H](c2ccco2)C1 ZINC000247703433 361167782 /nfs/dbraw/zinc/16/77/82/361167782.db2.gz YKAICJXHNYDZHR-VXGBXAGGSA-N 1 2 261.325 1.692 20 30 CDEDLO C[C@@H]1CC[N@@H+](CC(=O)NCC#N)[C@@H](c2ccco2)C1 ZINC000247703433 361167789 /nfs/dbraw/zinc/16/77/89/361167789.db2.gz YKAICJXHNYDZHR-VXGBXAGGSA-N 1 2 261.325 1.692 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccc(Cl)cc1 ZINC000562322923 361280432 /nfs/dbraw/zinc/28/04/32/361280432.db2.gz AIYZTGYYILQAJW-AWEZNQCLSA-N 1 2 279.771 1.843 20 30 CDEDLO C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000181344436 189294162 /nfs/dbraw/zinc/29/41/62/189294162.db2.gz RRCZDIVFZSKSQY-RISCZKNCSA-N 1 2 283.335 1.806 20 30 CDEDLO COCCOc1ccc(C#N)cc1NCc1[nH+]ccn1C ZINC000181917887 189310008 /nfs/dbraw/zinc/31/00/08/189310008.db2.gz NMAJBSUNLNQPFY-UHFFFAOYSA-N 1 2 286.335 1.929 20 30 CDEDLO COc1cccc([C@H](NC(=O)[C@@H](C)C#N)c2[nH+]ccn2C)c1 ZINC000609620056 363773628 /nfs/dbraw/zinc/77/36/28/363773628.db2.gz RDJZDXSUYHVGDV-FZMZJTMJSA-N 1 2 298.346 1.794 20 30 CDEDLO N#Cc1ccccc1OCC[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000168536902 361428236 /nfs/dbraw/zinc/42/82/36/361428236.db2.gz ZSRUWPPAKRASJD-CQSZACIVSA-N 1 2 285.347 1.244 20 30 CDEDLO N#Cc1ccccc1OCC[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000168536902 361428240 /nfs/dbraw/zinc/42/82/40/361428240.db2.gz ZSRUWPPAKRASJD-CQSZACIVSA-N 1 2 285.347 1.244 20 30 CDEDLO C[C@@]1(CNC(=O)C2([NH+]3CCOCC3)CCC2)CCOC1 ZINC000329343787 361484488 /nfs/dbraw/zinc/48/44/88/361484488.db2.gz TZIPSPMAKOUZOV-AWEZNQCLSA-N 1 2 282.384 1.624 20 30 CDEDLO C[C@H](CNC(=O)C1(C#N)CC(C)C1)Cn1cc[nH+]c1 ZINC000532332212 363933282 /nfs/dbraw/zinc/93/32/82/363933282.db2.gz ZURYFDPIUKATJZ-MBHSVXNSSA-N 1 2 260.341 1.575 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2nc(C(C)(C)C)no2)nn1 ZINC000640934687 364750974 /nfs/dbraw/zinc/75/09/74/364750974.db2.gz HFHDJAFJJCUIMW-UHFFFAOYSA-N 1 2 288.355 1.120 20 30 CDEDLO CC1(C)C[N@H+](CC(=O)Nc2sccc2C#N)CC[C@H]1O ZINC000275408875 193025852 /nfs/dbraw/zinc/02/58/52/193025852.db2.gz FXOYRDVNOXXBCN-LLVKDONJSA-N 1 2 293.392 1.651 20 30 CDEDLO CC1(C)C[N@@H+](CC(=O)Nc2sccc2C#N)CC[C@H]1O ZINC000275408875 193025855 /nfs/dbraw/zinc/02/58/55/193025855.db2.gz FXOYRDVNOXXBCN-LLVKDONJSA-N 1 2 293.392 1.651 20 30 CDEDLO C=CCC(C)(C)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000354268483 365419351 /nfs/dbraw/zinc/41/93/51/365419351.db2.gz WZHINHGORFYMGZ-ZIAGYGMSSA-N 1 2 280.412 1.910 20 30 CDEDLO CC(=O)N1CC[N@H+](Cc2ccccc2C#N)[C@@H](C)C1 ZINC000268706618 365389303 /nfs/dbraw/zinc/38/93/03/365389303.db2.gz SLDJAGABCWCPPU-LBPRGKRZSA-N 1 2 257.337 1.611 20 30 CDEDLO CC(=O)N1CC[N@@H+](Cc2ccccc2C#N)[C@@H](C)C1 ZINC000268706618 365389307 /nfs/dbraw/zinc/38/93/07/365389307.db2.gz SLDJAGABCWCPPU-LBPRGKRZSA-N 1 2 257.337 1.611 20 30 CDEDLO Cc1noc(C23CC(C2)C[N@@H+]3[C@@H]2CC[C@H](C#N)C2)n1 ZINC000528625809 367924343 /nfs/dbraw/zinc/92/43/43/367924343.db2.gz YVOHXIQXBHECMW-WDBLDGLGSA-N 1 2 258.325 1.991 20 30 CDEDLO Cc1noc(C23CC(C2)C[N@H+]3[C@@H]2CC[C@H](C#N)C2)n1 ZINC000528625809 367924349 /nfs/dbraw/zinc/92/43/49/367924349.db2.gz YVOHXIQXBHECMW-WDBLDGLGSA-N 1 2 258.325 1.991 20 30 CDEDLO C=CCC1(C(=O)N2CC[NH+](CCOC)CC2)CCC1 ZINC000358765222 367900066 /nfs/dbraw/zinc/90/00/66/367900066.db2.gz DWXQJWUCOKRGMZ-UHFFFAOYSA-N 1 2 266.385 1.523 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2nc(C(C)C)oc2C)CC1 ZINC000286363380 368801130 /nfs/dbraw/zinc/80/11/30/368801130.db2.gz JNCCNXBZDBAADG-UHFFFAOYSA-N 1 2 289.379 1.888 20 30 CDEDLO CC1(C)C[N@H+](Cc2cccc(C#N)c2)CCN1CCO ZINC000614919994 368819203 /nfs/dbraw/zinc/81/92/03/368819203.db2.gz AHIRBNKKLTYRHT-UHFFFAOYSA-N 1 2 273.380 1.447 20 30 CDEDLO CC1(C)C[N@@H+](Cc2cccc(C#N)c2)CCN1CCO ZINC000614919994 368819207 /nfs/dbraw/zinc/81/92/07/368819207.db2.gz AHIRBNKKLTYRHT-UHFFFAOYSA-N 1 2 273.380 1.447 20 30 CDEDLO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nnnn1C ZINC000276218738 193246519 /nfs/dbraw/zinc/24/65/19/193246519.db2.gz KYTOXUHSFLRSHH-UWVGGRQHSA-N 1 2 256.313 1.494 20 30 CDEDLO C#CC[N@@H+](Cc1c(C)n(C)nc1C(=O)OC)C1CC1 ZINC000292812775 370400237 /nfs/dbraw/zinc/40/02/37/370400237.db2.gz OXMMDXNYZQYSQA-UHFFFAOYSA-N 1 2 261.325 1.113 20 30 CDEDLO C#CC[N@H+](Cc1c(C)n(C)nc1C(=O)OC)C1CC1 ZINC000292812775 370400241 /nfs/dbraw/zinc/40/02/41/370400241.db2.gz OXMMDXNYZQYSQA-UHFFFAOYSA-N 1 2 261.325 1.113 20 30 CDEDLO CS(=O)(=O)Nc1cccc(C[NH2+]CCC#N)c1 ZINC000565928242 370568001 /nfs/dbraw/zinc/56/80/01/370568001.db2.gz LLPPIIRJSOOPFD-UHFFFAOYSA-N 1 2 253.327 1.061 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)N2CCc3c[nH+]ccc32)cn1 ZINC000176738774 372076998 /nfs/dbraw/zinc/07/69/98/372076998.db2.gz VAMDRYMPZVQHTK-UHFFFAOYSA-N 1 2 286.316 1.100 20 30 CDEDLO C=CCOCC[NH2+][C@H](C(=O)OC)[C@@H]1CCC[C@@H](OC)C1 ZINC000578016826 372223511 /nfs/dbraw/zinc/22/35/11/372223511.db2.gz MBQMBRXSQCVBON-MCIONIFRSA-N 1 2 285.384 1.525 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc3c(n2)CCC3)C1=O ZINC000579805685 372639764 /nfs/dbraw/zinc/63/97/64/372639764.db2.gz OJXZUPNAMDHHCA-MRXNPFEDSA-N 1 2 285.391 1.789 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc3c(n2)CCC3)C1=O ZINC000579805685 372639772 /nfs/dbraw/zinc/63/97/72/372639772.db2.gz OJXZUPNAMDHHCA-MRXNPFEDSA-N 1 2 285.391 1.789 20 30 CDEDLO Cc1noc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)n1 ZINC000348109236 373004948 /nfs/dbraw/zinc/00/49/48/373004948.db2.gz KQORSJIXTZLSEK-UWVGGRQHSA-N 1 2 299.334 1.928 20 30 CDEDLO Cc1cc(N2CC[C@@H](N3CCCC3=O)C2)c(C#N)c[nH+]1 ZINC000333424328 205309142 /nfs/dbraw/zinc/30/91/42/205309142.db2.gz JTRQRANNGBEURK-CYBMUJFWSA-N 1 2 270.336 1.463 20 30 CDEDLO CC[N@H+](CC(=O)NC1(c2nnc[nH]2)CCC1)C1CC1 ZINC000330290070 284372682 /nfs/dbraw/zinc/37/26/82/284372682.db2.gz FLGOMTCTQLUHTJ-UHFFFAOYSA-N 1 2 263.345 1.625 20 30 CDEDLO CC[N@@H+](CC(=O)NC1(c2nnc[nH]2)CCC1)C1CC1 ZINC000330290070 284372684 /nfs/dbraw/zinc/37/26/84/284372684.db2.gz FLGOMTCTQLUHTJ-UHFFFAOYSA-N 1 2 263.345 1.625 20 30 CDEDLO Cc1nc(N2CCN(c3ccc(C#N)nc3)CC2)cc[nH+]1 ZINC000273504128 373859191 /nfs/dbraw/zinc/85/91/91/373859191.db2.gz OQXHCSDYBGDOLC-UHFFFAOYSA-N 1 2 280.335 1.378 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)NCc1cccc(C#N)c1 ZINC000357608025 373923839 /nfs/dbraw/zinc/92/38/39/373923839.db2.gz KYRQMZRYBSJACF-UHFFFAOYSA-N 1 2 269.308 1.291 20 30 CDEDLO C[C@H]1CN(S(=O)(=O)c2ccccc2C#N)C[C@H](C)[NH+]1C ZINC000074557168 374138502 /nfs/dbraw/zinc/13/85/02/374138502.db2.gz RRTFVOBJWMFNFQ-RYUDHWBXSA-N 1 2 293.392 1.271 20 30 CDEDLO Cn1ncc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000367707534 374140782 /nfs/dbraw/zinc/14/07/82/374140782.db2.gz PMQJSZVOOCJYCH-UHFFFAOYSA-N 1 2 279.347 1.976 20 30 CDEDLO Cn1ncc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000367707534 374140785 /nfs/dbraw/zinc/14/07/85/374140785.db2.gz PMQJSZVOOCJYCH-UHFFFAOYSA-N 1 2 279.347 1.976 20 30 CDEDLO CCn1cc[nH+]c1CNS(=O)(=O)c1ccc(C#N)s1 ZINC000385447994 374255033 /nfs/dbraw/zinc/25/50/33/374255033.db2.gz IUCFXQOOTQQRBJ-UHFFFAOYSA-N 1 2 296.377 1.315 20 30 CDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000370745559 374401846 /nfs/dbraw/zinc/40/18/46/374401846.db2.gz RYRCQNKZTWWTSO-HOTGVXAUSA-N 1 2 299.374 1.428 20 30 CDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000370745559 374401853 /nfs/dbraw/zinc/40/18/53/374401853.db2.gz RYRCQNKZTWWTSO-HOTGVXAUSA-N 1 2 299.374 1.428 20 30 CDEDLO C/C(Cl)=C/C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000528469829 374448847 /nfs/dbraw/zinc/44/88/47/374448847.db2.gz CAFDSLGZMXYMED-WCIBSUBMSA-N 1 2 293.802 1.865 20 30 CDEDLO CC[N@H+](Cc1ccc(F)c(C#N)c1)[C@H](C)CS(C)(=O)=O ZINC000120863158 374595874 /nfs/dbraw/zinc/59/58/74/374595874.db2.gz LZNHSZCJLKAMMK-LLVKDONJSA-N 1 2 298.383 1.952 20 30 CDEDLO CC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H](C)CS(C)(=O)=O ZINC000120863158 374595883 /nfs/dbraw/zinc/59/58/83/374595883.db2.gz LZNHSZCJLKAMMK-LLVKDONJSA-N 1 2 298.383 1.952 20 30 CDEDLO Cn1c[nH+]c2c1CCN(Cc1cccc(C#N)c1)C2 ZINC000377373352 374597979 /nfs/dbraw/zinc/59/79/79/374597979.db2.gz LZAVJWKUTUMWHW-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000429574378 374599018 /nfs/dbraw/zinc/59/90/18/374599018.db2.gz GOPQRYOSXIHETR-YUNKPMOVSA-N 1 2 292.404 1.910 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000429574378 374599024 /nfs/dbraw/zinc/59/90/24/374599024.db2.gz GOPQRYOSXIHETR-YUNKPMOVSA-N 1 2 292.404 1.910 20 30 CDEDLO CC[N@@H+](CC(=O)NCC(F)(F)F)C[C@@H](C)C#N ZINC000042287662 374818315 /nfs/dbraw/zinc/81/83/15/374818315.db2.gz QPQFODPHUUPVAM-QMMMGPOBSA-N 1 2 251.252 1.146 20 30 CDEDLO CC[N@H+](CC(=O)NCC(F)(F)F)C[C@@H](C)C#N ZINC000042287662 374818323 /nfs/dbraw/zinc/81/83/23/374818323.db2.gz QPQFODPHUUPVAM-QMMMGPOBSA-N 1 2 251.252 1.146 20 30 CDEDLO CSC[C@@H](O)C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000331150644 374893970 /nfs/dbraw/zinc/89/39/70/374893970.db2.gz IHWJLIYZNZBRBM-LSDHHAIUSA-N 1 2 292.404 1.655 20 30 CDEDLO CSC[C@@H](O)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000331150644 374893974 /nfs/dbraw/zinc/89/39/74/374893974.db2.gz IHWJLIYZNZBRBM-LSDHHAIUSA-N 1 2 292.404 1.655 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000280626480 375009100 /nfs/dbraw/zinc/00/91/00/375009100.db2.gz LPTMVLRVOOCDEE-JTQLQIEISA-N 1 2 272.308 1.722 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)CNc1cccc(C#N)c1 ZINC000426437895 247026397 /nfs/dbraw/zinc/02/63/97/247026397.db2.gz ZXJGIJNRSWSBDN-UHFFFAOYSA-N 1 2 269.308 1.020 20 30 CDEDLO Cc1ccc(C#N)cc1NC(=O)NCC[NH+]1CCOCC1 ZINC000058453689 375763034 /nfs/dbraw/zinc/76/30/34/375763034.db2.gz ZIBQGYIHESUBPE-UHFFFAOYSA-N 1 2 288.351 1.320 20 30 CDEDLO CCc1ncsc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000328622709 375900363 /nfs/dbraw/zinc/90/03/63/375900363.db2.gz YIYARDTUVUIYOX-MNOVXSKESA-N 1 2 296.396 1.266 20 30 CDEDLO CCc1ncsc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000328622709 375900369 /nfs/dbraw/zinc/90/03/69/375900369.db2.gz YIYARDTUVUIYOX-MNOVXSKESA-N 1 2 296.396 1.266 20 30 CDEDLO CC(C)(CNC(=O)[C@H]1CCCC(=O)N1)[NH+]1CCOCC1 ZINC000328805120 375957471 /nfs/dbraw/zinc/95/74/71/375957471.db2.gz NCSYOUDKPHLEEK-LLVKDONJSA-N 1 2 283.372 1.563 20 30 CDEDLO C[C@H](C(=O)NC1CCCC1)[N@H+](C)[C@H]1CCNC1=O ZINC000328883405 375998651 /nfs/dbraw/zinc/99/86/51/375998651.db2.gz MDOIKQWGMPJNFF-KOLCDFICSA-N 1 2 253.346 1.935 20 30 CDEDLO C[C@H](C(=O)NC1CCCC1)[N@@H+](C)[C@H]1CCNC1=O ZINC000328883405 375998653 /nfs/dbraw/zinc/99/86/53/375998653.db2.gz MDOIKQWGMPJNFF-KOLCDFICSA-N 1 2 253.346 1.935 20 30 CDEDLO C[C@H](Cn1cccn1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328934063 376011887 /nfs/dbraw/zinc/01/18/87/376011887.db2.gz PXCJUZBPJXPWJY-NEPJUHHUSA-N 1 2 273.340 1.687 20 30 CDEDLO CN1CCOC[C@@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000328946631 376017531 /nfs/dbraw/zinc/01/75/31/376017531.db2.gz KAKLUXPZKUZOKK-CYBMUJFWSA-N 1 2 292.383 1.049 20 30 CDEDLO N#Cc1nccnc1NCCCNc1cccc[nH+]1 ZINC000171026396 376018444 /nfs/dbraw/zinc/01/84/44/376018444.db2.gz VACYAGBPTNIMEG-UHFFFAOYSA-N 1 2 254.297 1.657 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)COc1ccccc1F ZINC000247770811 377170521 /nfs/dbraw/zinc/17/05/21/377170521.db2.gz WAYCDFOMSLNBMU-VXGBXAGGSA-N 1 2 266.316 1.799 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)COc1ccccc1F ZINC000247770811 377170534 /nfs/dbraw/zinc/17/05/34/377170534.db2.gz WAYCDFOMSLNBMU-VXGBXAGGSA-N 1 2 266.316 1.799 20 30 CDEDLO CC[C@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H](C)O1 ZINC000247771694 377172141 /nfs/dbraw/zinc/17/21/41/377172141.db2.gz ZVDJNIIRZZYDHT-KGLIPLIRSA-N 1 2 292.383 1.142 20 30 CDEDLO CC[C@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H](C)O1 ZINC000247771694 377172149 /nfs/dbraw/zinc/17/21/49/377172149.db2.gz ZVDJNIIRZZYDHT-KGLIPLIRSA-N 1 2 292.383 1.142 20 30 CDEDLO C=CCN(CC=C)C(=O)CN(C)Cc1[nH+]ccn1C ZINC000161954789 377292908 /nfs/dbraw/zinc/29/29/08/377292908.db2.gz KXUHBHYCRIBWKZ-UHFFFAOYSA-N 1 2 262.357 1.053 20 30 CDEDLO C[C@@H]1CCCC[C@H]1OCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000572291550 377874426 /nfs/dbraw/zinc/87/44/26/377874426.db2.gz QYGIYRSJNLZIIZ-UMVBOHGHSA-N 1 2 281.400 1.542 20 30 CDEDLO C=CC[N@H+](C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000191068306 377962792 /nfs/dbraw/zinc/96/27/92/377962792.db2.gz WRQYCHVCDYLGGC-CHWSQXEVSA-N 1 2 271.382 1.354 20 30 CDEDLO C=CC[N@@H+](C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000191068306 377962794 /nfs/dbraw/zinc/96/27/94/377962794.db2.gz WRQYCHVCDYLGGC-CHWSQXEVSA-N 1 2 271.382 1.354 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccc(N(C)CCOC)nc1 ZINC000191374241 378027742 /nfs/dbraw/zinc/02/77/42/378027742.db2.gz IYZGYBRGZXHIEA-UHFFFAOYSA-N 1 2 271.364 1.233 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000192225873 378178126 /nfs/dbraw/zinc/17/81/26/378178126.db2.gz BCTVWRARVJKQMI-UHFFFAOYSA-N 1 2 277.280 1.107 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000192225873 378178130 /nfs/dbraw/zinc/17/81/30/378178130.db2.gz BCTVWRARVJKQMI-UHFFFAOYSA-N 1 2 277.280 1.107 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(C)Cc1cccc(OC)c1 ZINC000192229768 378179991 /nfs/dbraw/zinc/17/99/91/378179991.db2.gz PASJUBZPLRRJDM-UHFFFAOYSA-N 1 2 260.337 1.219 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N(C)Cc1cccc(OC)c1 ZINC000192229768 378179994 /nfs/dbraw/zinc/17/99/94/378179994.db2.gz PASJUBZPLRRJDM-UHFFFAOYSA-N 1 2 260.337 1.219 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCc1cccc(OCC)c1 ZINC000293327452 378559507 /nfs/dbraw/zinc/55/95/07/378559507.db2.gz XUJBYCSLYXBUMR-UHFFFAOYSA-N 1 2 274.364 1.657 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCc1cccc(OCC)c1 ZINC000293327452 378559514 /nfs/dbraw/zinc/55/95/14/378559514.db2.gz XUJBYCSLYXBUMR-UHFFFAOYSA-N 1 2 274.364 1.657 20 30 CDEDLO C#CCO[C@H](C)C(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000295416855 378674220 /nfs/dbraw/zinc/67/42/20/378674220.db2.gz LRSHZWOXKNKGPK-HIFRSBDPSA-N 1 2 297.358 1.996 20 30 CDEDLO C#CCCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000366860620 379246535 /nfs/dbraw/zinc/24/65/35/379246535.db2.gz ZLLPVADLBIBPFT-AWEZNQCLSA-N 1 2 264.369 1.159 20 30 CDEDLO C#CCCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000366860620 379246539 /nfs/dbraw/zinc/24/65/39/379246539.db2.gz ZLLPVADLBIBPFT-AWEZNQCLSA-N 1 2 264.369 1.159 20 30 CDEDLO Cc1nc(NCC#CCO)c(Br)c(C)[nH+]1 ZINC000663879488 412932982 /nfs/dbraw/zinc/93/29/82/412932982.db2.gz RPVQCBMJEVFJRY-UHFFFAOYSA-N 1 2 270.130 1.264 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)COc1ccc(C#N)cc1 ZINC000070979292 184573187 /nfs/dbraw/zinc/57/31/87/184573187.db2.gz YQGNGUAICWFBFV-UHFFFAOYSA-N 1 2 270.292 1.319 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)/C=C\c1cccc(C#N)c1 ZINC000490919545 253054488 /nfs/dbraw/zinc/05/44/88/253054488.db2.gz OKEGKPUYNJDSFX-SREVYHEPSA-N 1 2 280.331 1.964 20 30 CDEDLO N#Cc1ccc(C=CC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000492933730 253329572 /nfs/dbraw/zinc/32/95/72/253329572.db2.gz URGBFJKRPWSLAA-GPAKFWEMSA-N 1 2 292.342 1.968 20 30 CDEDLO N#Cc1ccc(C=CC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000492933730 253329574 /nfs/dbraw/zinc/32/95/74/253329574.db2.gz URGBFJKRPWSLAA-GPAKFWEMSA-N 1 2 292.342 1.968 20 30 CDEDLO C=CCN1CC[C@@H]([NH2+][C@@H](COC)c2ccco2)C1=O ZINC000281354418 195208632 /nfs/dbraw/zinc/20/86/32/195208632.db2.gz NJAFPDHHHOJBRG-NEPJUHHUSA-N 1 2 264.325 1.344 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](CC(C)C)C(=O)OCC)C1=O ZINC000281377498 195216154 /nfs/dbraw/zinc/21/61/54/195216154.db2.gz OXRVAAKFSGWVGK-KGLIPLIRSA-N 1 2 296.411 1.683 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](CC(C)C)C(=O)OCC)C1=O ZINC000281377498 195216155 /nfs/dbraw/zinc/21/61/55/195216155.db2.gz OXRVAAKFSGWVGK-KGLIPLIRSA-N 1 2 296.411 1.683 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000550304540 390466379 /nfs/dbraw/zinc/46/63/79/390466379.db2.gz FTTQNIMEHUXNLY-UHFFFAOYSA-N 1 2 295.346 1.936 20 30 CDEDLO CC[N@@H+](CC(=O)NCc1ccccc1)C[C@@H](C)C#N ZINC000042323979 390481967 /nfs/dbraw/zinc/48/19/67/390481967.db2.gz CGSDWUAOZFTJEA-ZDUSSCGKSA-N 1 2 259.353 1.784 20 30 CDEDLO CC[N@H+](CC(=O)NCc1ccccc1)C[C@@H](C)C#N ZINC000042323979 390481971 /nfs/dbraw/zinc/48/19/71/390481971.db2.gz CGSDWUAOZFTJEA-ZDUSSCGKSA-N 1 2 259.353 1.784 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000187386567 390548231 /nfs/dbraw/zinc/54/82/31/390548231.db2.gz BFVORRSFOFYLAL-FZMZJTMJSA-N 1 2 287.363 1.653 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000187386567 390548234 /nfs/dbraw/zinc/54/82/34/390548234.db2.gz BFVORRSFOFYLAL-FZMZJTMJSA-N 1 2 287.363 1.653 20 30 CDEDLO C[C@@H]1SCC[N@H+](CC(=O)NCC#N)[C@@H]1c1ccccc1 ZINC000118422563 390629917 /nfs/dbraw/zinc/62/99/17/390629917.db2.gz JDAWOLKMGYVJOD-WFASDCNBSA-N 1 2 289.404 1.805 20 30 CDEDLO C[C@@H]1SCC[N@@H+](CC(=O)NCC#N)[C@@H]1c1ccccc1 ZINC000118422563 390629919 /nfs/dbraw/zinc/62/99/19/390629919.db2.gz JDAWOLKMGYVJOD-WFASDCNBSA-N 1 2 289.404 1.805 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc(C#N)[nH]1 ZINC000337408859 390814801 /nfs/dbraw/zinc/81/48/01/390814801.db2.gz ODLUXYXZGQMWSI-UHFFFAOYSA-N 1 2 293.330 1.975 20 30 CDEDLO Cc1cc(-c2noc(CO[NH+]=C(N)CCO)n2)ccc1F ZINC000121399229 390885238 /nfs/dbraw/zinc/88/52/38/390885238.db2.gz ZNRNYPOUOKMZJX-UHFFFAOYSA-N 1 2 294.286 1.355 20 30 CDEDLO N#CCN1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000092936449 390898396 /nfs/dbraw/zinc/89/83/96/390898396.db2.gz JKZKYTOLCSDKML-UHFFFAOYSA-N 1 2 282.351 1.113 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@H+](Cc1ccncc1)C1CC1)C1CC1 ZINC000122340024 390900334 /nfs/dbraw/zinc/90/03/34/390900334.db2.gz GNGLAYPUMIOLDF-KRWDZBQOSA-N 1 2 298.390 1.854 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1ccncc1)C1CC1)C1CC1 ZINC000122340024 390900336 /nfs/dbraw/zinc/90/03/36/390900336.db2.gz GNGLAYPUMIOLDF-KRWDZBQOSA-N 1 2 298.390 1.854 20 30 CDEDLO C=CCN(C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000153698494 390900541 /nfs/dbraw/zinc/90/05/41/390900541.db2.gz NDOQQRDCNUUKHP-UHFFFAOYSA-N 1 2 262.357 1.589 20 30 CDEDLO Cc1ccc(C(N)=[NH+]OCC(=O)N2CCCC2)cc1F ZINC000122552515 390903453 /nfs/dbraw/zinc/90/34/53/390903453.db2.gz PBSZQJXAFOWOLB-UHFFFAOYSA-N 1 2 279.315 1.393 20 30 CDEDLO COC1(C)CN(C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000329577141 391018707 /nfs/dbraw/zinc/01/87/07/391018707.db2.gz SPYNAYNUCRFKMD-UHFFFAOYSA-N 1 2 292.383 1.397 20 30 CDEDLO Cc1ccc(NC(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)c(C)[nH+]1 ZINC000329588378 391021132 /nfs/dbraw/zinc/02/11/32/391021132.db2.gz XPVXKUVQJSIMPT-SGMGOOAPSA-N 1 2 275.352 1.947 20 30 CDEDLO C[C@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)[C@H]1CCOC1 ZINC000329461526 390991825 /nfs/dbraw/zinc/99/18/25/390991825.db2.gz SRVFWFVXASUROK-STQMWFEESA-N 1 2 299.415 1.026 20 30 CDEDLO C[C@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)[C@H]1CCOC1 ZINC000329461526 390991829 /nfs/dbraw/zinc/99/18/29/390991829.db2.gz SRVFWFVXASUROK-STQMWFEESA-N 1 2 299.415 1.026 20 30 CDEDLO CC[C@H]1C[N@H+](C)CCN1C(=O)c1sccc1C#N ZINC000574232968 391113151 /nfs/dbraw/zinc/11/31/51/391113151.db2.gz LPFBDAGKBQVWOU-NSHDSACASA-N 1 2 263.366 1.786 20 30 CDEDLO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1sccc1C#N ZINC000574232968 391113156 /nfs/dbraw/zinc/11/31/56/391113156.db2.gz LPFBDAGKBQVWOU-NSHDSACASA-N 1 2 263.366 1.786 20 30 CDEDLO COc1cc(C)ccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414162499 391115209 /nfs/dbraw/zinc/11/52/09/391115209.db2.gz LWHPXFHDJRNSDL-ZDUSSCGKSA-N 1 2 278.352 1.589 20 30 CDEDLO COc1cc(C)ccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414162499 391115210 /nfs/dbraw/zinc/11/52/10/391115210.db2.gz LWHPXFHDJRNSDL-ZDUSSCGKSA-N 1 2 278.352 1.589 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@H](c2ccccn2)CC1=O ZINC000491417980 391119539 /nfs/dbraw/zinc/11/95/39/391119539.db2.gz OZDBGVCMASOQBI-STQMWFEESA-N 1 2 257.337 1.309 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@H](c2ccccn2)CC1=O ZINC000491417980 391119543 /nfs/dbraw/zinc/11/95/43/391119543.db2.gz OZDBGVCMASOQBI-STQMWFEESA-N 1 2 257.337 1.309 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000373794070 391131172 /nfs/dbraw/zinc/13/11/72/391131172.db2.gz ZIPGGEHVEMEFAG-GOEBONIOSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000373794070 391131174 /nfs/dbraw/zinc/13/11/74/391131174.db2.gz ZIPGGEHVEMEFAG-GOEBONIOSA-N 1 2 296.411 1.291 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000336381338 391143476 /nfs/dbraw/zinc/14/34/76/391143476.db2.gz MGPMPGJZTOMQHD-NSHDSACASA-N 1 2 260.341 1.454 20 30 CDEDLO CCC[C@H](CC)[NH2+]CCNC(O)=C1N=CC=CC1=O ZINC000181964137 391229212 /nfs/dbraw/zinc/22/92/12/391229212.db2.gz UTXITZXEDTYPHX-IVPXEPLCSA-N 1 2 265.357 1.681 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000345598979 391294125 /nfs/dbraw/zinc/29/41/25/391294125.db2.gz CNNBLMDQRCSHGQ-LSDHHAIUSA-N 1 2 296.411 1.291 20 30 CDEDLO Cc1noc(C2C[NH+](Cc3cc(C#N)cs3)C2)n1 ZINC000459603741 391405030 /nfs/dbraw/zinc/40/50/30/391405030.db2.gz IIYAUFKTBBQJII-UHFFFAOYSA-N 1 2 260.322 1.911 20 30 CDEDLO CCCCNc1cc(N2CCC(F)(C#N)CC2)nc(N)[nH+]1 ZINC000343222294 391341210 /nfs/dbraw/zinc/34/12/10/391341210.db2.gz DQYHOYYPXHIWHJ-UHFFFAOYSA-N 1 2 292.362 1.933 20 30 CDEDLO CCCCNc1cc(N2CCC(F)(C#N)CC2)[nH+]c(N)n1 ZINC000343222294 391341216 /nfs/dbraw/zinc/34/12/16/391341216.db2.gz DQYHOYYPXHIWHJ-UHFFFAOYSA-N 1 2 292.362 1.933 20 30 CDEDLO CC(=O)N1CC[N@H+](Cc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000268625754 391390918 /nfs/dbraw/zinc/39/09/18/391390918.db2.gz AYWRSWXYGHUMPJ-NSHDSACASA-N 1 2 275.327 1.750 20 30 CDEDLO CC(=O)N1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000268625754 391390923 /nfs/dbraw/zinc/39/09/23/391390923.db2.gz AYWRSWXYGHUMPJ-NSHDSACASA-N 1 2 275.327 1.750 20 30 CDEDLO C=CCCC1(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000354425696 391419426 /nfs/dbraw/zinc/41/94/26/391419426.db2.gz RYPYUFDJROABOB-CYBMUJFWSA-N 1 2 266.385 1.570 20 30 CDEDLO Cc1noc([C@@H](C)NC(=O)Nc2cc[nH+]c(C)c2)n1 ZINC000330566443 391447823 /nfs/dbraw/zinc/44/78/23/391447823.db2.gz CJUVIUXCVUBCCF-MRVPVSSYSA-N 1 2 261.285 1.590 20 30 CDEDLO COc1c(C[NH+]2CCC(F)(C#N)CC2)c(C)nn1C ZINC000348712580 391451189 /nfs/dbraw/zinc/45/11/89/391451189.db2.gz UXLOKGIOZPJBGL-UHFFFAOYSA-N 1 2 266.320 1.565 20 30 CDEDLO CC(C)c1ncncc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330622918 391460805 /nfs/dbraw/zinc/46/08/05/391460805.db2.gz OTJRGDVKMCXLLT-LBPRGKRZSA-N 1 2 292.383 1.625 20 30 CDEDLO CC(C)c1ncncc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330622918 391460807 /nfs/dbraw/zinc/46/08/07/391460807.db2.gz OTJRGDVKMCXLLT-LBPRGKRZSA-N 1 2 292.383 1.625 20 30 CDEDLO COC(=O)C[C@@](C)([NH2+]CCC#N)c1cccc(OC)c1 ZINC000411622380 391491265 /nfs/dbraw/zinc/49/12/65/391491265.db2.gz YNOQAQZDNPIOIZ-OAHLLOKOSA-N 1 2 276.336 1.977 20 30 CDEDLO CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292074504 391496757 /nfs/dbraw/zinc/49/67/57/391496757.db2.gz DADKYLXJQKSRJG-STQMWFEESA-N 1 2 289.335 1.358 20 30 CDEDLO CC[C@@H](C(=O)OC)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292074504 391496762 /nfs/dbraw/zinc/49/67/62/391496762.db2.gz DADKYLXJQKSRJG-STQMWFEESA-N 1 2 289.335 1.358 20 30 CDEDLO C[C@H]1C[NH+]=C(N2CCN(c3ncccc3C#N)CC2)S1 ZINC000075147062 391568910 /nfs/dbraw/zinc/56/89/10/391568910.db2.gz MXXCYWPCYQKMPI-NSHDSACASA-N 1 2 287.392 1.567 20 30 CDEDLO C=CC[C@H](CC)N1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O ZINC000359183163 391580703 /nfs/dbraw/zinc/58/07/03/391580703.db2.gz KFHKNRSNEJPFIP-WDEREUQCSA-N 1 2 262.313 1.227 20 30 CDEDLO C=CC[C@H](CC)N1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O ZINC000359183163 391580708 /nfs/dbraw/zinc/58/07/08/391580708.db2.gz KFHKNRSNEJPFIP-WDEREUQCSA-N 1 2 262.313 1.227 20 30 CDEDLO C=CCCCCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000359193019 391581780 /nfs/dbraw/zinc/58/17/80/391581780.db2.gz KDPNPAOUEBWWJW-OAHLLOKOSA-N 1 2 295.427 1.849 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@@H](c3ccccc3)C2)C1=O ZINC000282103399 391671082 /nfs/dbraw/zinc/67/10/82/391671082.db2.gz WHFYAMGNPPTMFF-HZPDHXFCSA-N 1 2 286.375 1.847 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@@H](c3ccccc3)C2)C1=O ZINC000282103399 391671084 /nfs/dbraw/zinc/67/10/84/391671084.db2.gz WHFYAMGNPPTMFF-HZPDHXFCSA-N 1 2 286.375 1.847 20 30 CDEDLO C=CCN(CCOC)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000361075688 391679758 /nfs/dbraw/zinc/67/97/58/391679758.db2.gz ILUUTAJHFISRAS-GFCCVEGCSA-N 1 2 263.341 1.107 20 30 CDEDLO CCc1cccc(OC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000342804334 392045630 /nfs/dbraw/zinc/04/56/30/392045630.db2.gz QEHMCCORKZWNSJ-AWEZNQCLSA-N 1 2 262.353 1.834 20 30 CDEDLO CCc1cccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000342804334 392045633 /nfs/dbraw/zinc/04/56/33/392045633.db2.gz QEHMCCORKZWNSJ-AWEZNQCLSA-N 1 2 262.353 1.834 20 30 CDEDLO Cc1ccc(NC(=O)CNc2ccc(C#N)cn2)c(C)[nH+]1 ZINC000442683756 392454317 /nfs/dbraw/zinc/45/43/17/392454317.db2.gz SVWWAPPRKXFCPL-UHFFFAOYSA-N 1 2 281.319 1.438 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)C(=O)Nc1ccccc1C#N ZINC000459798794 392507683 /nfs/dbraw/zinc/50/76/83/392507683.db2.gz UQEOWDIYPPKXHX-NWDGAFQWSA-N 1 2 297.362 1.970 20 30 CDEDLO N#Cc1cccc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000109768478 392767934 /nfs/dbraw/zinc/76/79/34/392767934.db2.gz TZDVXFCGQGVIIB-OAHLLOKOSA-N 1 2 290.388 1.710 20 30 CDEDLO N#Cc1cccc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000109768478 392767941 /nfs/dbraw/zinc/76/79/41/392767941.db2.gz TZDVXFCGQGVIIB-OAHLLOKOSA-N 1 2 290.388 1.710 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000649123652 392811993 /nfs/dbraw/zinc/81/19/93/392811993.db2.gz FIULOPFJMSCYLE-LBPRGKRZSA-N 1 2 252.358 1.132 20 30 CDEDLO Cc1cc(N2CCC[C@@H](CNC(N)=O)C2)c(C#N)c[nH+]1 ZINC000425211882 392993915 /nfs/dbraw/zinc/99/39/15/392993915.db2.gz YPWATYHVFWNPAD-NSHDSACASA-N 1 2 273.340 1.146 20 30 CDEDLO Cc1cc(NCC[N@@H+]2CCOCC2(C)C)c(C#N)cn1 ZINC000425224859 392997226 /nfs/dbraw/zinc/99/72/26/392997226.db2.gz LLATWJKWVCVGLB-UHFFFAOYSA-N 1 2 274.368 1.206 20 30 CDEDLO Cc1cc(NCC[N@H+]2CCOCC2(C)C)c(C#N)cn1 ZINC000425224859 392997229 /nfs/dbraw/zinc/99/72/29/392997229.db2.gz LLATWJKWVCVGLB-UHFFFAOYSA-N 1 2 274.368 1.206 20 30 CDEDLO Cc1c[nH+]c(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)n1C ZINC000430185405 393090611 /nfs/dbraw/zinc/09/06/11/393090611.db2.gz IZHOKSCKBXXDLU-AWEZNQCLSA-N 1 2 297.362 1.649 20 30 CDEDLO Cc1cnc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1C ZINC000430185405 393090616 /nfs/dbraw/zinc/09/06/16/393090616.db2.gz IZHOKSCKBXXDLU-AWEZNQCLSA-N 1 2 297.362 1.649 20 30 CDEDLO Cc1cnc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1C ZINC000430185405 393090621 /nfs/dbraw/zinc/09/06/21/393090621.db2.gz IZHOKSCKBXXDLU-AWEZNQCLSA-N 1 2 297.362 1.649 20 30 CDEDLO CS(=O)(=O)[C@H]1CC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000282029770 393168783 /nfs/dbraw/zinc/16/87/83/393168783.db2.gz FKKCIYHQMLVYTH-AWEZNQCLSA-N 1 2 294.376 1.056 20 30 CDEDLO CS(=O)(=O)[C@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000282029770 393168793 /nfs/dbraw/zinc/16/87/93/393168793.db2.gz FKKCIYHQMLVYTH-AWEZNQCLSA-N 1 2 294.376 1.056 20 30 CDEDLO Cc1[nH+]c2ccccn2c1Cn1cccc(C#N)c1=O ZINC000119068528 147305516 /nfs/dbraw/zinc/30/55/16/147305516.db2.gz FFTMMEWFVGVCCT-UHFFFAOYSA-N 1 2 264.288 1.724 20 30 CDEDLO CCNC(=O)C[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000676556988 483527618 /nfs/dbraw/zinc/52/76/18/483527618.db2.gz DQQXVZUQKXCIHY-UHFFFAOYSA-N 1 2 264.756 1.759 20 30 CDEDLO CCNC(=O)C[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000676556988 483527624 /nfs/dbraw/zinc/52/76/24/483527624.db2.gz DQQXVZUQKXCIHY-UHFFFAOYSA-N 1 2 264.756 1.759 20 30 CDEDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1OC ZINC000179658770 148127561 /nfs/dbraw/zinc/12/75/61/148127561.db2.gz WSXJGDNHNSYCPO-CYBMUJFWSA-N 1 2 274.320 1.704 20 30 CDEDLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1OC ZINC000179658770 148127567 /nfs/dbraw/zinc/12/75/67/148127567.db2.gz WSXJGDNHNSYCPO-CYBMUJFWSA-N 1 2 274.320 1.704 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)c1 ZINC000352672247 155349690 /nfs/dbraw/zinc/34/96/90/155349690.db2.gz SBYBLIFQJSSOSZ-JKSUJKDBSA-N 1 2 272.348 1.938 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)c1 ZINC000352672247 155349692 /nfs/dbraw/zinc/34/96/92/155349692.db2.gz SBYBLIFQJSSOSZ-JKSUJKDBSA-N 1 2 272.348 1.938 20 30 CDEDLO Cc1noc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)n1 ZINC000348074420 153768528 /nfs/dbraw/zinc/76/85/28/153768528.db2.gz HRSINLWJEBHFQF-UWVGGRQHSA-N 1 2 299.334 1.928 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)NCc1cccc(C#N)c1 ZINC000348223432 153822651 /nfs/dbraw/zinc/82/26/51/153822651.db2.gz QRSZWTPIOGNPIE-UHFFFAOYSA-N 1 2 269.308 1.291 20 30 CDEDLO N#Cc1ccc(C[NH2+]Cc2nnnn2CC2CC2)c(F)c1 ZINC000349647102 154165046 /nfs/dbraw/zinc/16/50/46/154165046.db2.gz SOEASALNEBPVTD-UHFFFAOYSA-N 1 2 286.314 1.384 20 30 CDEDLO CC[C@H]1C[N@H+](CCNc2cnccc2C#N)CCO1 ZINC000362668388 159208899 /nfs/dbraw/zinc/20/88/99/159208899.db2.gz SHAOSBMFCMLTLH-ZDUSSCGKSA-N 1 2 260.341 1.476 20 30 CDEDLO CC[C@H]1C[N@@H+](CCNc2cnccc2C#N)CCO1 ZINC000362668388 159208902 /nfs/dbraw/zinc/20/89/02/159208902.db2.gz SHAOSBMFCMLTLH-ZDUSSCGKSA-N 1 2 260.341 1.476 20 30 CDEDLO CC[C@H]1C[N@H+](CCNc2c(C#N)cccc2C#N)CCO1 ZINC000362688206 159214107 /nfs/dbraw/zinc/21/41/07/159214107.db2.gz YROMGIGRYJADTO-HNNXBMFYSA-N 1 2 284.363 1.953 20 30 CDEDLO CC[C@H]1C[N@@H+](CCNc2c(C#N)cccc2C#N)CCO1 ZINC000362688206 159214108 /nfs/dbraw/zinc/21/41/08/159214108.db2.gz YROMGIGRYJADTO-HNNXBMFYSA-N 1 2 284.363 1.953 20 30 CDEDLO C=C[C@@](C)(O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000665072411 413835646 /nfs/dbraw/zinc/83/56/46/413835646.db2.gz GQWZSVIEUUMBRW-MRXNPFEDSA-N 1 2 274.364 1.268 20 30 CDEDLO C=CC[N@H+](Cc1nc2c(cnn2C)c(=O)[nH]1)[C@@H](C)COC ZINC000661242108 413914016 /nfs/dbraw/zinc/91/40/16/413914016.db2.gz KVVQHXIVMQBMQQ-JTQLQIEISA-N 1 2 291.355 1.092 20 30 CDEDLO C=CC[N@@H+](Cc1nc2c(cnn2C)c(=O)[nH]1)[C@@H](C)COC ZINC000661242108 413914022 /nfs/dbraw/zinc/91/40/22/413914022.db2.gz KVVQHXIVMQBMQQ-JTQLQIEISA-N 1 2 291.355 1.092 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000662166645 414547197 /nfs/dbraw/zinc/54/71/97/414547197.db2.gz BHCQXNIKZQCUND-NXEZZACHSA-N 1 2 259.309 1.533 20 30 CDEDLO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000076708219 177066826 /nfs/dbraw/zinc/06/68/26/177066826.db2.gz GDPQLQUIRIAPIU-CQSZACIVSA-N 1 2 275.327 1.798 20 30 CDEDLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000076708219 177066828 /nfs/dbraw/zinc/06/68/28/177066828.db2.gz GDPQLQUIRIAPIU-CQSZACIVSA-N 1 2 275.327 1.798 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000347080181 226040539 /nfs/dbraw/zinc/04/05/39/226040539.db2.gz WKPKQRDGXXQPGU-CYBMUJFWSA-N 1 2 282.347 1.362 20 30 CDEDLO CCS(=O)(=O)N1CC[N@H+](CCC(C)(C)C#N)[C@H](C)C1 ZINC000347291039 226096095 /nfs/dbraw/zinc/09/60/95/226096095.db2.gz NKOGMWPXKFNYCS-GFCCVEGCSA-N 1 2 287.429 1.282 20 30 CDEDLO CCS(=O)(=O)N1CC[N@@H+](CCC(C)(C)C#N)[C@H](C)C1 ZINC000347291039 226096096 /nfs/dbraw/zinc/09/60/96/226096096.db2.gz NKOGMWPXKFNYCS-GFCCVEGCSA-N 1 2 287.429 1.282 20 30 CDEDLO O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1CCCCS1(=O)=O ZINC000329027513 227262837 /nfs/dbraw/zinc/26/28/37/227262837.db2.gz VZLZDFFCMSEXPG-LLVKDONJSA-N 1 2 293.348 1.890 20 30 CDEDLO Cc1nc(C)c(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)s1 ZINC000329983509 228006510 /nfs/dbraw/zinc/00/65/10/228006510.db2.gz PRKCJLQTEXSXME-MNOVXSKESA-N 1 2 296.396 1.320 20 30 CDEDLO Cc1nc(C)c(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)s1 ZINC000329983509 228006513 /nfs/dbraw/zinc/00/65/13/228006513.db2.gz PRKCJLQTEXSXME-MNOVXSKESA-N 1 2 296.396 1.320 20 30 CDEDLO N#C[C@@H]1CCC[C@@H]1[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330245460 228078598 /nfs/dbraw/zinc/07/85/98/228078598.db2.gz DTXPKDFTBGNPQT-TUAOUCFPSA-N 1 2 273.340 1.394 20 30 CDEDLO N#C[C@@H]1CCC[C@@H]1NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330245460 228078599 /nfs/dbraw/zinc/07/85/99/228078599.db2.gz DTXPKDFTBGNPQT-TUAOUCFPSA-N 1 2 273.340 1.394 20 30 CDEDLO C[N@H+](CCC#N)Cc1ccc(N2CCOCC2)cc1 ZINC000071004409 260271009 /nfs/dbraw/zinc/27/10/09/260271009.db2.gz XDDVHBPXIXYSNK-UHFFFAOYSA-N 1 2 259.353 1.869 20 30 CDEDLO C[N@@H+](CCC#N)Cc1ccc(N2CCOCC2)cc1 ZINC000071004409 260271011 /nfs/dbraw/zinc/27/10/11/260271011.db2.gz XDDVHBPXIXYSNK-UHFFFAOYSA-N 1 2 259.353 1.869 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C1CC=CC1 ZINC000076984682 260295272 /nfs/dbraw/zinc/29/52/72/260295272.db2.gz YUUZRZVZLARVPP-UHFFFAOYSA-N 1 2 277.368 1.027 20 30 CDEDLO NC(CCO)=[NH+]O[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000121315374 260709356 /nfs/dbraw/zinc/70/93/56/260709356.db2.gz XOKFWNGYCKELJL-LLVKDONJSA-N 1 2 297.742 1.117 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCCC[C@@H]1CC ZINC000490675346 261181734 /nfs/dbraw/zinc/18/17/34/261181734.db2.gz DYCGEQQDMDJLFJ-HNNXBMFYSA-N 1 2 260.381 1.736 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCCC[C@@H]1CC ZINC000490675346 261181736 /nfs/dbraw/zinc/18/17/36/261181736.db2.gz DYCGEQQDMDJLFJ-HNNXBMFYSA-N 1 2 260.381 1.736 20 30 CDEDLO C=C(C)CN(CC)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105299802 261309778 /nfs/dbraw/zinc/30/97/78/261309778.db2.gz IYIODVYMSDFSSH-ZIAGYGMSSA-N 1 2 283.416 1.703 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1CC[C@@H](c2ccccc2)C1=O ZINC000491255294 261391641 /nfs/dbraw/zinc/39/16/41/261391641.db2.gz WPHAUWHNURPWFK-HIFRSBDPSA-N 1 2 256.349 1.914 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1CC[C@@H](c2ccccc2)C1=O ZINC000491255294 261391643 /nfs/dbraw/zinc/39/16/43/261391643.db2.gz WPHAUWHNURPWFK-HIFRSBDPSA-N 1 2 256.349 1.914 20 30 CDEDLO CSc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)CCO)cc1 ZINC000275480165 263033425 /nfs/dbraw/zinc/03/34/25/263033425.db2.gz NAVKDIUZIRZWKR-SECBINFHSA-N 1 2 297.380 1.407 20 30 CDEDLO NC(=[NH+]OCC(=O)Nc1ccc(F)cc1F)[C@H]1CCCO1 ZINC000284418555 263086756 /nfs/dbraw/zinc/08/67/56/263086756.db2.gz OBNSXSOVUNXCPU-LLVKDONJSA-N 1 2 299.277 1.371 20 30 CDEDLO Cc1ncc(CO)c(/C=[NH+]/C[C@@H]2CCOC[C@H]2C)c1O ZINC000285277559 263091774 /nfs/dbraw/zinc/09/17/74/263091774.db2.gz IFUYNMKJEVFWGT-WRQZYFLHSA-N 1 2 278.352 1.679 20 30 CDEDLO CC1(C)CCCN(C(=O)CCc2[nH]cc[nH+]2)[C@@H]1C#N ZINC000288598595 263105110 /nfs/dbraw/zinc/10/51/10/263105110.db2.gz YJMRSFPHKWZTQI-LLVKDONJSA-N 1 2 260.341 1.883 20 30 CDEDLO CO/N=C/C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000289356047 263109512 /nfs/dbraw/zinc/10/95/12/263109512.db2.gz JTUWHLFOVDRSBX-LDADJPATSA-N 1 2 290.367 1.710 20 30 CDEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CCCC#N)CC1 ZINC000291713631 263124991 /nfs/dbraw/zinc/12/49/91/263124991.db2.gz OXIZJSLTGDPKRB-CQSZACIVSA-N 1 2 286.379 1.981 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)C1(C#N)CCCC1 ZINC000294609364 263164336 /nfs/dbraw/zinc/16/43/36/263164336.db2.gz NUHQKDIZACPXPZ-UHFFFAOYSA-N 1 2 259.309 1.790 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1ccccc1C(=O)OC ZINC000121531236 263295357 /nfs/dbraw/zinc/29/53/57/263295357.db2.gz JAZRPDVIMRRISX-UHFFFAOYSA-N 1 2 262.309 1.530 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1ccccc1C(=O)OC ZINC000121531236 263295359 /nfs/dbraw/zinc/29/53/59/263295359.db2.gz JAZRPDVIMRRISX-UHFFFAOYSA-N 1 2 262.309 1.530 20 30 CDEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)CCO1 ZINC000330425333 263936615 /nfs/dbraw/zinc/93/66/15/263936615.db2.gz DJLQONKTYBYBFL-VXGBXAGGSA-N 1 2 285.388 1.172 20 30 CDEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)CCO1 ZINC000330425333 263936617 /nfs/dbraw/zinc/93/66/17/263936617.db2.gz DJLQONKTYBYBFL-VXGBXAGGSA-N 1 2 285.388 1.172 20 30 CDEDLO N#CCCCC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000330884915 264062674 /nfs/dbraw/zinc/06/26/74/264062674.db2.gz FHQLACICCUNNRV-CQSZACIVSA-N 1 2 297.424 1.004 20 30 CDEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000330963008 264089684 /nfs/dbraw/zinc/08/96/84/264089684.db2.gz GLHTVCMIKMXGBP-VXGBXAGGSA-N 1 2 280.372 1.384 20 30 CDEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000330963008 264089685 /nfs/dbraw/zinc/08/96/85/264089685.db2.gz GLHTVCMIKMXGBP-VXGBXAGGSA-N 1 2 280.372 1.384 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000424856753 264233339 /nfs/dbraw/zinc/23/33/39/264233339.db2.gz QNLOIFPBRHGPAS-CYBMUJFWSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000424856753 264233340 /nfs/dbraw/zinc/23/33/40/264233340.db2.gz QNLOIFPBRHGPAS-CYBMUJFWSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC000425488327 264354549 /nfs/dbraw/zinc/35/45/49/264354549.db2.gz MSVHGDGXTSGFHD-IUCAKERBSA-N 1 2 297.380 1.271 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)N1CCn2c[nH+]cc2C1 ZINC000660578096 424649066 /nfs/dbraw/zinc/64/90/66/424649066.db2.gz JOJSPFGMMKHGMJ-ZDUSSCGKSA-N 1 2 274.368 1.288 20 30 CDEDLO N#Cc1cccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000159409721 424599443 /nfs/dbraw/zinc/59/94/43/424599443.db2.gz KOKPUSYUWQDVBS-AWEZNQCLSA-N 1 2 280.331 1.634 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1c[nH+]ccc1OC ZINC000520729788 265910376 /nfs/dbraw/zinc/91/03/76/265910376.db2.gz BKQMFUHJDOZUSS-NEPJUHHUSA-N 1 2 262.309 1.298 20 30 CDEDLO C=C(CC)C[N@@H+]1CC[C@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000356445644 266115808 /nfs/dbraw/zinc/11/58/08/266115808.db2.gz JLQIFVMEFGOFIS-NWDGAFQWSA-N 1 2 269.341 1.379 20 30 CDEDLO C=C(CC)C[N@H+]1CC[C@H](C(=O)OC)C[C@@H]1C(=O)OC ZINC000356445644 266115810 /nfs/dbraw/zinc/11/58/10/266115810.db2.gz JLQIFVMEFGOFIS-NWDGAFQWSA-N 1 2 269.341 1.379 20 30 CDEDLO CC[N@@H+](CC(=O)N[C@@H](CC(C)C)C(=O)OC)C[C@@H](C)C#N ZINC000356468913 266120697 /nfs/dbraw/zinc/12/06/97/266120697.db2.gz CZNKSZUPEFLSIA-STQMWFEESA-N 1 2 297.399 1.172 20 30 CDEDLO CC[N@H+](CC(=O)N[C@@H](CC(C)C)C(=O)OC)C[C@@H](C)C#N ZINC000356468913 266120700 /nfs/dbraw/zinc/12/07/00/266120700.db2.gz CZNKSZUPEFLSIA-STQMWFEESA-N 1 2 297.399 1.172 20 30 CDEDLO CCOC(=O)N1CCC(Nc2cc(C)[nH+]cc2C#N)CC1 ZINC000399538029 266257475 /nfs/dbraw/zinc/25/74/75/266257475.db2.gz VNKYUPKLKLCGBO-UHFFFAOYSA-N 1 2 288.351 1.716 20 30 CDEDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115539752 279242623 /nfs/dbraw/zinc/24/26/23/279242623.db2.gz KVQAHBSUSKFIOQ-OAHLLOKOSA-N 1 2 297.362 1.340 20 30 CDEDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115539752 279242625 /nfs/dbraw/zinc/24/26/25/279242625.db2.gz KVQAHBSUSKFIOQ-OAHLLOKOSA-N 1 2 297.362 1.340 20 30 CDEDLO CC1(C)C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC[C@@H]1O ZINC000446066116 281260773 /nfs/dbraw/zinc/26/07/73/281260773.db2.gz ICFFDBXNOXQKCP-UONOGXRCSA-N 1 2 287.363 1.177 20 30 CDEDLO CC1(C)C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC[C@@H]1O ZINC000446066116 281260775 /nfs/dbraw/zinc/26/07/75/281260775.db2.gz ICFFDBXNOXQKCP-UONOGXRCSA-N 1 2 287.363 1.177 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000152532775 289137402 /nfs/dbraw/zinc/13/74/02/289137402.db2.gz BJKILMJWOIETLE-AWEZNQCLSA-N 1 2 287.363 1.667 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000152532775 289137404 /nfs/dbraw/zinc/13/74/04/289137404.db2.gz BJKILMJWOIETLE-AWEZNQCLSA-N 1 2 287.363 1.667 20 30 CDEDLO CCCC[C@@H](C)C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N ZINC000556921926 290315999 /nfs/dbraw/zinc/31/59/99/290315999.db2.gz JHFIFUJWEODDOS-LLVKDONJSA-N 1 2 291.399 1.620 20 30 CDEDLO N#Cc1cncc(N2CCCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000563036171 293251797 /nfs/dbraw/zinc/25/17/97/293251797.db2.gz GLVHBRXSLUECEI-NSHDSACASA-N 1 2 254.297 1.803 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNc2ncc3c(c2C#N)CCC3)C1 ZINC000570565519 294261927 /nfs/dbraw/zinc/26/19/27/294261927.db2.gz ZNMSKUGDCYQDSU-GFCCVEGCSA-N 1 2 272.352 1.184 20 30 CDEDLO C[N@H+]1CCO[C@H](CNc2ncc3c(c2C#N)CCC3)C1 ZINC000570565519 294261930 /nfs/dbraw/zinc/26/19/30/294261930.db2.gz ZNMSKUGDCYQDSU-GFCCVEGCSA-N 1 2 272.352 1.184 20 30 CDEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc(C#N)cn1 ZINC000573622909 294854982 /nfs/dbraw/zinc/85/49/82/294854982.db2.gz XNEMDECEHGROKS-UHFFFAOYSA-N 1 2 295.346 1.758 20 30 CDEDLO CCc1nc([C@@H](C)[NH2+]CC(=O)NC2(C#N)CCC2)cs1 ZINC000526287339 328773552 /nfs/dbraw/zinc/77/35/52/328773552.db2.gz SHXUXSGPFMOVQR-SNVBAGLBSA-N 1 2 292.408 1.919 20 30 CDEDLO CCOC(=O)[C@@H](C)C/[NH+]=C/c1cccc(O)c1O ZINC000267591758 328179226 /nfs/dbraw/zinc/17/92/26/328179226.db2.gz CYPRUNPRHOWRSK-PFMRQGHBSA-N 1 2 251.282 1.716 20 30 CDEDLO CC1(C)CNC(=O)C[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000282410715 328242298 /nfs/dbraw/zinc/24/22/98/328242298.db2.gz CFUJEXINWSYHGF-UHFFFAOYSA-N 1 2 273.336 1.299 20 30 CDEDLO CC1(C)CNC(=O)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000282410715 328242300 /nfs/dbraw/zinc/24/23/00/328242300.db2.gz CFUJEXINWSYHGF-UHFFFAOYSA-N 1 2 273.336 1.299 20 30 CDEDLO Cc1cc(NC(=O)N2CCC(C#N)CC2)c(C)c[nH+]1 ZINC000535060112 328381748 /nfs/dbraw/zinc/38/17/48/328381748.db2.gz YTPSHJAKBMRJSC-UHFFFAOYSA-N 1 2 258.325 1.888 20 30 CDEDLO N#Cc1ccc(C(=O)Nc2c[nH+]ccc2-n2ccnn2)nc1 ZINC000579887871 324308690 /nfs/dbraw/zinc/30/86/90/324308690.db2.gz ZHIAWKCWZAFLQC-UHFFFAOYSA-N 1 2 291.274 1.181 20 30 CDEDLO Cc1ccc[nH+]c1CCCNc1ncncc1C#N ZINC000579951811 324324913 /nfs/dbraw/zinc/32/49/13/324324913.db2.gz DQSNLBHYYVYAAW-UHFFFAOYSA-N 1 2 253.309 1.518 20 30 CDEDLO Cc1nc(CC(N)=[NH+]OCc2ccon2)cs1 ZINC000077239053 327131736 /nfs/dbraw/zinc/13/17/36/327131736.db2.gz KOSNLKANGJYVIY-UHFFFAOYSA-N 1 2 252.299 1.471 20 30 CDEDLO C=C[C@@H]1CCCCN1c1cc(NC[C@H](C)O)[nH+]cn1 ZINC000518337127 327154875 /nfs/dbraw/zinc/15/48/75/327154875.db2.gz ATQNIXVTJSAMKS-NWDGAFQWSA-N 1 2 262.357 1.814 20 30 CDEDLO C=C[C@@H]1CCCCN1c1cc(NC[C@H](C)O)nc[nH+]1 ZINC000518337127 327154877 /nfs/dbraw/zinc/15/48/77/327154877.db2.gz ATQNIXVTJSAMKS-NWDGAFQWSA-N 1 2 262.357 1.814 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CC1(C#N)CC1)C1CC1 ZINC000560482387 327313527 /nfs/dbraw/zinc/31/35/27/327313527.db2.gz JAPSNVSMSATYNP-LLVKDONJSA-N 1 2 294.380 1.094 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccccc1Cl ZINC000562323178 327470322 /nfs/dbraw/zinc/47/03/22/327470322.db2.gz TWTYNCYMIPRLPZ-CYBMUJFWSA-N 1 2 265.744 1.914 20 30 CDEDLO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ncn(C)n1 ZINC000398958585 328653837 /nfs/dbraw/zinc/65/38/37/328653837.db2.gz KLMJUJXHCTXCCQ-NSHDSACASA-N 1 2 255.325 1.732 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1csc(N(CC)C(C)=O)n1 ZINC000352454729 328751411 /nfs/dbraw/zinc/75/14/11/328751411.db2.gz VBNVRJULKBBEOA-SNVBAGLBSA-N 1 2 269.370 1.152 20 30 CDEDLO CC1CC(C#N)(C(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000532326635 328769464 /nfs/dbraw/zinc/76/94/64/328769464.db2.gz WZLLWBCPYZCNOB-UHFFFAOYSA-N 1 2 287.363 1.864 20 30 CDEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@]1(C#N)CCOC1 ZINC000358477900 328885906 /nfs/dbraw/zinc/88/59/06/328885906.db2.gz QSOXSKFGRIPMRG-INIZCTEOSA-N 1 2 298.346 1.398 20 30 CDEDLO C#Cc1ccccc1CC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000377970309 329036052 /nfs/dbraw/zinc/03/60/52/329036052.db2.gz PWISMLKJWIXCSN-INIZCTEOSA-N 1 2 293.370 1.960 20 30 CDEDLO CCCNC(=O)NC(=O)C[N@H+](CCC#N)CC(CC)CC ZINC000173553210 329149132 /nfs/dbraw/zinc/14/91/32/329149132.db2.gz LFRRNQBVTXIGSA-UHFFFAOYSA-N 1 2 296.415 1.874 20 30 CDEDLO CCCNC(=O)NC(=O)C[N@@H+](CCC#N)CC(CC)CC ZINC000173553210 329149134 /nfs/dbraw/zinc/14/91/34/329149134.db2.gz LFRRNQBVTXIGSA-UHFFFAOYSA-N 1 2 296.415 1.874 20 30 CDEDLO C[C@@H](CC#N)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000188995628 329374455 /nfs/dbraw/zinc/37/44/55/329374455.db2.gz NWTDZVMDCFUUIA-AAEUAGOBSA-N 1 2 265.357 1.048 20 30 CDEDLO C[C@@H](CC#N)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000188995628 329374456 /nfs/dbraw/zinc/37/44/56/329374456.db2.gz NWTDZVMDCFUUIA-AAEUAGOBSA-N 1 2 265.357 1.048 20 30 CDEDLO C[C@H]1C(=O)NCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000189283567 329378901 /nfs/dbraw/zinc/37/89/01/329378901.db2.gz JDUBFBBEVDBTOF-LBPRGKRZSA-N 1 2 260.312 1.388 20 30 CDEDLO C[C@H]1C(=O)NCCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000189283567 329378903 /nfs/dbraw/zinc/37/89/03/329378903.db2.gz JDUBFBBEVDBTOF-LBPRGKRZSA-N 1 2 260.312 1.388 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1c(F)cccc1C#N ZINC000580452935 330139132 /nfs/dbraw/zinc/13/91/32/330139132.db2.gz KRENBCRUWMYBRA-HNNXBMFYSA-N 1 2 288.326 1.200 20 30 CDEDLO Cc1cc(CN(CCC#N)CC[NH+]2CCOCC2)on1 ZINC000081515409 330212378 /nfs/dbraw/zinc/21/23/78/330212378.db2.gz UUVZXPPBIBHQFX-UHFFFAOYSA-N 1 2 278.356 1.031 20 30 CDEDLO C#CC[N@@H+](Cc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000108866552 330358196 /nfs/dbraw/zinc/35/81/96/330358196.db2.gz LWVAUOYEJXQLQR-HNNXBMFYSA-N 1 2 277.389 1.617 20 30 CDEDLO C#CC[N@H+](Cc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000108866552 330358197 /nfs/dbraw/zinc/35/81/97/330358197.db2.gz LWVAUOYEJXQLQR-HNNXBMFYSA-N 1 2 277.389 1.617 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000424674392 330444114 /nfs/dbraw/zinc/44/41/14/330444114.db2.gz BTQOQCQJBCKMMS-UHFFFAOYSA-N 1 2 291.399 1.025 20 30 CDEDLO CC(C)OCC[NH+]1CCN(C(=O)[C@@]2(C#N)C[C@@H]2C)CC1 ZINC000450014096 330958626 /nfs/dbraw/zinc/95/86/26/330958626.db2.gz AGGGPIQXLAMJKU-DZGCQCFKSA-N 1 2 279.384 1.105 20 30 CDEDLO C=CC(C)(C)CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000454844506 331154924 /nfs/dbraw/zinc/15/49/24/331154924.db2.gz WQKXGEWLQGKFQW-LLVKDONJSA-N 1 2 262.357 1.709 20 30 CDEDLO Cc1[nH+]c2cc(NC(=O)[C@@H](C)C#N)ccc2n1[C@H](C)CO ZINC000456711353 331199051 /nfs/dbraw/zinc/19/90/51/331199051.db2.gz LUBVUDBPYAYMTF-VHSXEESVSA-N 1 2 286.335 1.996 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000456766991 331201843 /nfs/dbraw/zinc/20/18/43/331201843.db2.gz JFWCGFPLCFZYJM-INIZCTEOSA-N 1 2 299.374 1.988 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)NCC(C)(C)C#N ZINC000458671309 331256664 /nfs/dbraw/zinc/25/66/64/331256664.db2.gz XYUHNCGHMUXHQA-UHFFFAOYSA-N 1 2 262.313 1.439 20 30 CDEDLO C#CCN(CC)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000490606409 332095369 /nfs/dbraw/zinc/09/53/69/332095369.db2.gz ZTUVMOQLOZTCHQ-UHFFFAOYSA-N 1 2 255.321 1.667 20 30 CDEDLO C#CC[N@@H+](C[C@@H](O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000490740668 332111236 /nfs/dbraw/zinc/11/12/36/332111236.db2.gz MGEPNESPZWTQTP-LSDHHAIUSA-N 1 2 299.436 1.050 20 30 CDEDLO C#CC[N@H+](C[C@@H](O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000490740668 332111237 /nfs/dbraw/zinc/11/12/37/332111237.db2.gz MGEPNESPZWTQTP-LSDHHAIUSA-N 1 2 299.436 1.050 20 30 CDEDLO C#CCN(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000491040537 332141903 /nfs/dbraw/zinc/14/19/03/332141903.db2.gz UQVSBFIKYVVCSN-CYBMUJFWSA-N 1 2 286.379 1.785 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OC)cn2)n1 ZINC000491099868 332149566 /nfs/dbraw/zinc/14/95/66/332149566.db2.gz DLLGRCJJYRMSFZ-UHFFFAOYSA-N 1 2 284.363 1.942 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(OC)cn2)n1 ZINC000491099868 332149567 /nfs/dbraw/zinc/14/95/67/332149567.db2.gz DLLGRCJJYRMSFZ-UHFFFAOYSA-N 1 2 284.363 1.942 20 30 CDEDLO C#CCN(C(=O)NCc1ccc[nH+]c1N(C)C)C1CC1 ZINC000491314149 332187930 /nfs/dbraw/zinc/18/79/30/332187930.db2.gz CZRCQXUCKLYTHU-UHFFFAOYSA-N 1 2 272.352 1.455 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](Cc1ccccc1)OC ZINC000491371549 332198802 /nfs/dbraw/zinc/19/88/02/332198802.db2.gz FLIPZPDYDAFTJS-CVEARBPZSA-N 1 2 259.349 1.578 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](Cc1ccccc1)OC ZINC000491371549 332198803 /nfs/dbraw/zinc/19/88/03/332198803.db2.gz FLIPZPDYDAFTJS-CVEARBPZSA-N 1 2 259.349 1.578 20 30 CDEDLO C#C[C@H]1COCCN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000491394622 332203700 /nfs/dbraw/zinc/20/37/00/332203700.db2.gz NHQMYWKBDUQWKY-ZDUSSCGKSA-N 1 2 266.304 1.040 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)C/C=C(\C)C(=O)OC)n1 ZINC000491426153 332209093 /nfs/dbraw/zinc/20/90/93/332209093.db2.gz DSYGPOIVOWDKNE-NTUHNPAUSA-N 1 2 275.352 1.458 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)C/C=C(\C)C(=O)OC)n1 ZINC000491426153 332209095 /nfs/dbraw/zinc/20/90/95/332209095.db2.gz DSYGPOIVOWDKNE-NTUHNPAUSA-N 1 2 275.352 1.458 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](O)c1cc2ccccc2o1 ZINC000491496642 332223197 /nfs/dbraw/zinc/22/31/97/332223197.db2.gz RRHPJYAAZDNGOB-ZIAGYGMSSA-N 1 2 271.316 1.800 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](O)c1cc2ccccc2o1 ZINC000491496642 332223198 /nfs/dbraw/zinc/22/31/98/332223198.db2.gz RRHPJYAAZDNGOB-ZIAGYGMSSA-N 1 2 271.316 1.800 20 30 CDEDLO C#C[C@H](C)N(C)c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000491524528 332229504 /nfs/dbraw/zinc/22/95/04/332229504.db2.gz MLSGAKTVMJRNHQ-QWHCGFSZSA-N 1 2 274.368 1.143 20 30 CDEDLO C#C[C@H](C)N(C)c1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000491524528 332229506 /nfs/dbraw/zinc/22/95/06/332229506.db2.gz MLSGAKTVMJRNHQ-QWHCGFSZSA-N 1 2 274.368 1.143 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2c(F)cccc2F)CC1 ZINC000491545469 332234886 /nfs/dbraw/zinc/23/48/86/332234886.db2.gz QAQYOABQQWBKPN-UHFFFAOYSA-N 1 2 294.301 1.121 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(OC=C)cc2)CC1 ZINC000491714819 332305297 /nfs/dbraw/zinc/30/52/97/332305297.db2.gz NYPQVLILXVODPQ-UHFFFAOYSA-N 1 2 299.374 1.398 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492958026 332420164 /nfs/dbraw/zinc/42/01/64/332420164.db2.gz LSZPXIPJVDTEOC-RXFDVUBGSA-N 1 2 261.325 1.520 20 30 CDEDLO Cc1ncc(/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C)s1 ZINC000493523667 332443662 /nfs/dbraw/zinc/44/36/62/332443662.db2.gz NDEHLLXTBKFDPE-SZZPACECSA-N 1 2 278.381 1.425 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000252011818 334373121 /nfs/dbraw/zinc/37/31/21/334373121.db2.gz XROUIODWEIEQFX-UONOGXRCSA-N 1 2 284.400 1.147 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000252011818 334373123 /nfs/dbraw/zinc/37/31/23/334373123.db2.gz XROUIODWEIEQFX-UONOGXRCSA-N 1 2 284.400 1.147 20 30 CDEDLO CCCN(CC#N)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000522536729 333289348 /nfs/dbraw/zinc/28/93/48/333289348.db2.gz GOTJOCOTSSFWSC-UHFFFAOYSA-N 1 2 270.296 1.038 20 30 CDEDLO Cc1cncc(CCC(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000576044525 335145060 /nfs/dbraw/zinc/14/50/60/335145060.db2.gz WMOCPQNBBDIKCR-OAHLLOKOSA-N 1 2 274.368 1.283 20 30 CDEDLO N#CCC1CC[NH+](Cc2nnnn2-c2ccccc2)CC1 ZINC000542877769 333847129 /nfs/dbraw/zinc/84/71/29/333847129.db2.gz BNQMGHDZOKAXOP-UHFFFAOYSA-N 1 2 282.351 1.788 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCSC[C@H]1C ZINC000246873726 334271056 /nfs/dbraw/zinc/27/10/56/334271056.db2.gz AOODPOHBJZSLEJ-DGCLKSJQSA-N 1 2 269.414 1.478 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCSC[C@H]1C ZINC000246873726 334271058 /nfs/dbraw/zinc/27/10/58/334271058.db2.gz AOODPOHBJZSLEJ-DGCLKSJQSA-N 1 2 269.414 1.478 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000565373541 334557805 /nfs/dbraw/zinc/55/78/05/334557805.db2.gz HCNDUTDYSJJSLV-QWRGUYRKSA-N 1 2 260.328 1.950 20 30 CDEDLO CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000566975471 334671506 /nfs/dbraw/zinc/67/15/06/334671506.db2.gz CFPHERQSJBIZAT-BNOWGMLFSA-N 1 2 251.374 1.629 20 30 CDEDLO Cc1cscc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000567475248 334723579 /nfs/dbraw/zinc/72/35/79/334723579.db2.gz DASCXTNQZRTVQG-LBPRGKRZSA-N 1 2 251.355 1.630 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000580583707 335291235 /nfs/dbraw/zinc/29/12/35/335291235.db2.gz ZQDOHVCPRXGARO-CQSZACIVSA-N 1 2 270.336 1.456 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CCOc2ccccc21 ZINC000580896516 335981389 /nfs/dbraw/zinc/98/13/89/335981389.db2.gz XVWHJYIOTIHHLG-CJNGLKHVSA-N 1 2 287.363 1.513 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc2scnc2c1 ZINC000581880265 336157315 /nfs/dbraw/zinc/15/73/15/336157315.db2.gz ZODJWZKGWZXAJD-GFCCVEGCSA-N 1 2 290.392 1.915 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc2scnc2c1 ZINC000581880265 336157316 /nfs/dbraw/zinc/15/73/16/336157316.db2.gz ZODJWZKGWZXAJD-GFCCVEGCSA-N 1 2 290.392 1.915 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H](C)C1CC1)CO2 ZINC001755066131 1159516959 /nfs/dbraw/zinc/51/69/59/1159516959.db2.gz VHSSPXBDOZNHLU-HIFRSBDPSA-N 1 2 290.407 1.405 20 30 CDEDLO C=C[C@](C)(O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000666640879 482834714 /nfs/dbraw/zinc/83/47/14/482834714.db2.gz YOYSXFPXQCOXPF-INIZCTEOSA-N 1 2 289.379 1.625 20 30 CDEDLO C=CCN(C(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1)C1CC1 ZINC000657874844 482908499 /nfs/dbraw/zinc/90/84/99/482908499.db2.gz BOUYTEKWXYRNHX-UHFFFAOYSA-N 1 2 298.346 1.758 20 30 CDEDLO COCC#CC[N@@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000678904480 483216780 /nfs/dbraw/zinc/21/67/80/483216780.db2.gz MZQXRNBYOROQTO-UHFFFAOYSA-N 1 2 280.412 1.605 20 30 CDEDLO COCC#CC[N@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000678904480 483216783 /nfs/dbraw/zinc/21/67/83/483216783.db2.gz MZQXRNBYOROQTO-UHFFFAOYSA-N 1 2 280.412 1.605 20 30 CDEDLO CC[C@H](CNC(=O)CSCC#N)Nc1cc[nH+]c(C)n1 ZINC001102986812 1160893733 /nfs/dbraw/zinc/89/37/33/1160893733.db2.gz KKFNIEFTMJKHTG-LLVKDONJSA-N 1 2 293.396 1.349 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001080478175 1161562926 /nfs/dbraw/zinc/56/29/26/1161562926.db2.gz KGAYFMIYFDBZDI-FZGMBXNASA-N 1 2 298.814 1.743 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001080478175 1161562929 /nfs/dbraw/zinc/56/29/29/1161562929.db2.gz KGAYFMIYFDBZDI-FZGMBXNASA-N 1 2 298.814 1.743 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(F)F)o2)[C@H](OC)C1 ZINC001082349030 1161573236 /nfs/dbraw/zinc/57/32/36/1161573236.db2.gz DWJBYMRCSXPYOB-BXKDBHETSA-N 1 2 298.289 1.279 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C(F)F)o2)[C@H](OC)C1 ZINC001082349030 1161573242 /nfs/dbraw/zinc/57/32/42/1161573242.db2.gz DWJBYMRCSXPYOB-BXKDBHETSA-N 1 2 298.289 1.279 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@]2(C)CCO[C@H]2C)CC1 ZINC001113136717 1162111889 /nfs/dbraw/zinc/11/18/89/1162111889.db2.gz GSGDFEIFCRGEFN-GOEBONIOSA-N 1 2 296.411 1.148 20 30 CDEDLO C[C@H](C#N)CN(C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000352750424 534289267 /nfs/dbraw/zinc/28/92/67/534289267.db2.gz WJZVVIQCWFIKAZ-GFCCVEGCSA-N 1 2 298.350 1.950 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)COCCCCCC)CC1 ZINC001113582065 1162231785 /nfs/dbraw/zinc/23/17/85/1162231785.db2.gz XFOKUWLBRXWITP-UHFFFAOYSA-N 1 2 268.401 1.914 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CNC(=O)C2CCCCC2)CC1 ZINC001113602200 1162235878 /nfs/dbraw/zinc/23/58/78/1162235878.db2.gz ICFHDLHCDOSOBO-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO N#CCSCc1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000333754079 534709524 /nfs/dbraw/zinc/70/95/24/534709524.db2.gz UFQRCEQABRJPFN-GHMZBOCLSA-N 1 2 294.380 1.752 20 30 CDEDLO N#CCSCc1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000333754079 534709529 /nfs/dbraw/zinc/70/95/29/534709529.db2.gz UFQRCEQABRJPFN-GHMZBOCLSA-N 1 2 294.380 1.752 20 30 CDEDLO [O-]C(N[C@@H]1CCCOCC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330194429 534760020 /nfs/dbraw/zinc/76/00/20/534760020.db2.gz OSUXRIWHMPJDKT-NEPJUHHUSA-N 1 2 278.356 1.271 20 30 CDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1CCCOCC1 ZINC000330194429 534760024 /nfs/dbraw/zinc/76/00/24/534760024.db2.gz OSUXRIWHMPJDKT-NEPJUHHUSA-N 1 2 278.356 1.271 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000333233479 527490461 /nfs/dbraw/zinc/49/04/61/527490461.db2.gz VASDWHQQRNPEPJ-KOLCDFICSA-N 1 2 293.392 1.661 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000333233479 527490466 /nfs/dbraw/zinc/49/04/66/527490466.db2.gz VASDWHQQRNPEPJ-KOLCDFICSA-N 1 2 293.392 1.661 20 30 CDEDLO CC(C)NC(=O)C[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000177506453 529128476 /nfs/dbraw/zinc/12/84/76/529128476.db2.gz FBZYVYAKSROCBK-UHFFFAOYSA-N 1 2 263.316 1.654 20 30 CDEDLO CC(C)NC(=O)C[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000177506453 529128478 /nfs/dbraw/zinc/12/84/78/529128478.db2.gz FBZYVYAKSROCBK-UHFFFAOYSA-N 1 2 263.316 1.654 20 30 CDEDLO C[N@@H+](CC(=O)NCCC#N)C[C@@H]1OCCc2ccccc21 ZINC000725805823 574438289 /nfs/dbraw/zinc/43/82/89/574438289.db2.gz LSTGWTZEKZINSM-HNNXBMFYSA-N 1 2 287.363 1.262 20 30 CDEDLO C[N@H+](CC(=O)NCCC#N)C[C@@H]1OCCc2ccccc21 ZINC000725805823 574438290 /nfs/dbraw/zinc/43/82/90/574438290.db2.gz LSTGWTZEKZINSM-HNNXBMFYSA-N 1 2 287.363 1.262 20 30 CDEDLO CNC(=S)N[NH+]=Cc1ccc(N2CCOCC2)c(F)c1 ZINC000727250568 574558200 /nfs/dbraw/zinc/55/82/00/574558200.db2.gz QGSBGXGWMZIBIH-UHFFFAOYSA-N 1 2 296.371 1.090 20 30 CDEDLO C#Cc1ccc(C(=O)NCCNc2cccc[nH+]2)nc1 ZINC000728962712 574678539 /nfs/dbraw/zinc/67/85/39/574678539.db2.gz YOPLWRIVJKXWEL-UHFFFAOYSA-N 1 2 266.304 1.300 20 30 CDEDLO C#Cc1cccc(NC(=O)NCC[N@H+]2CCOC[C@@H]2C)c1 ZINC000729552486 574816155 /nfs/dbraw/zinc/81/61/55/574816155.db2.gz GDSOEJAIRXCGRW-ZDUSSCGKSA-N 1 2 287.363 1.510 20 30 CDEDLO C#Cc1cccc(NC(=O)NCC[N@@H+]2CCOC[C@@H]2C)c1 ZINC000729552486 574816157 /nfs/dbraw/zinc/81/61/57/574816157.db2.gz GDSOEJAIRXCGRW-ZDUSSCGKSA-N 1 2 287.363 1.510 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N(C)C)cn1 ZINC000730283094 574909549 /nfs/dbraw/zinc/90/95/49/574909549.db2.gz OOAARGDDWULDNX-ZDUSSCGKSA-N 1 2 272.352 1.184 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N(C)C)cn1 ZINC000730283094 574909550 /nfs/dbraw/zinc/90/95/50/574909550.db2.gz OOAARGDDWULDNX-ZDUSSCGKSA-N 1 2 272.352 1.184 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000730284332 574910064 /nfs/dbraw/zinc/91/00/64/574910064.db2.gz IXAUBCWSYJOLAC-ZDUSSCGKSA-N 1 2 299.330 1.168 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000730284332 574910067 /nfs/dbraw/zinc/91/00/67/574910067.db2.gz IXAUBCWSYJOLAC-ZDUSSCGKSA-N 1 2 299.330 1.168 20 30 CDEDLO N#Cc1ccccc1/C=C/C(=O)NCc1[nH]cc[nH+]1 ZINC000733955917 575148195 /nfs/dbraw/zinc/14/81/95/575148195.db2.gz SRDNTPQXMHNXJZ-AATRIKPKSA-N 1 2 252.277 1.611 20 30 CDEDLO C[C@H]1CC(=NNS(C)(=O)=O)C[N@@H+](Cc2ccccc2)C1 ZINC000767385348 576186667 /nfs/dbraw/zinc/18/66/67/576186667.db2.gz MLJDAOLDSJKXLN-LBPRGKRZSA-N 1 2 295.408 1.434 20 30 CDEDLO C[C@H]1CC(=NNS(C)(=O)=O)C[N@H+](Cc2ccccc2)C1 ZINC000767385348 576186669 /nfs/dbraw/zinc/18/66/69/576186669.db2.gz MLJDAOLDSJKXLN-LBPRGKRZSA-N 1 2 295.408 1.434 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)C[C@H](C)c2cccnc2)CC1 ZINC000734435428 575346435 /nfs/dbraw/zinc/34/64/35/575346435.db2.gz IVHBFFOKMKBYRI-AWEZNQCLSA-N 1 2 271.364 1.353 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1nncn1-c1ccccc1)[C@H]1CCCO1 ZINC000769787810 575384045 /nfs/dbraw/zinc/38/40/45/575384045.db2.gz BDPOXTWYLPKMEY-HUUCEWRRSA-N 1 2 282.347 1.538 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000769954238 575402398 /nfs/dbraw/zinc/40/23/98/575402398.db2.gz QPRYEWXIQHKFGX-NEPJUHHUSA-N 1 2 274.339 1.883 20 30 CDEDLO C#CCNC(=O)C[N@H+]1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000769954238 575402401 /nfs/dbraw/zinc/40/24/01/575402401.db2.gz QPRYEWXIQHKFGX-NEPJUHHUSA-N 1 2 274.339 1.883 20 30 CDEDLO C=CC[N@@H+](CCS(N)(=O)=O)Cc1ccc(Cl)s1 ZINC000735918992 575535201 /nfs/dbraw/zinc/53/52/01/575535201.db2.gz GMVSOOFHLKJAPB-UHFFFAOYSA-N 1 2 294.829 1.678 20 30 CDEDLO C=CC[N@H+](CCS(N)(=O)=O)Cc1ccc(Cl)s1 ZINC000735918992 575535202 /nfs/dbraw/zinc/53/52/02/575535202.db2.gz GMVSOOFHLKJAPB-UHFFFAOYSA-N 1 2 294.829 1.678 20 30 CDEDLO S=C(NN=Cc1cccc2[nH+]ccn21)NC1CC1 ZINC000771089312 575547709 /nfs/dbraw/zinc/54/77/09/575547709.db2.gz RAYZYWAJQUOEBX-UHFFFAOYSA-N 1 2 259.338 1.295 20 30 CDEDLO C=CC[N@H+](CN1C(=O)C[C@@]2(CCSC2)C1=O)C1CC1 ZINC000771640513 575599976 /nfs/dbraw/zinc/59/99/76/575599976.db2.gz NZZYLQWQIUKCHD-CQSZACIVSA-N 1 2 280.393 1.477 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)C[C@@]2(CCSC2)C1=O)C1CC1 ZINC000771640513 575599980 /nfs/dbraw/zinc/59/99/80/575599980.db2.gz NZZYLQWQIUKCHD-CQSZACIVSA-N 1 2 280.393 1.477 20 30 CDEDLO Nc1[nH+]cccc1CN=Nc1ccc([N+](=O)[O-])cn1 ZINC000764681383 575933479 /nfs/dbraw/zinc/93/34/79/575933479.db2.gz GDMRBIMPXNVGJU-UHFFFAOYSA-N 1 2 258.241 1.413 20 30 CDEDLO C#CCCCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000760084725 576456787 /nfs/dbraw/zinc/45/67/87/576456787.db2.gz ILBOYSFLZSKXLO-UHFFFAOYSA-N 1 2 260.337 1.727 20 30 CDEDLO OC1CCC(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)CC1 ZINC000761828073 576595598 /nfs/dbraw/zinc/59/55/98/576595598.db2.gz JWEZGZMNEASFGA-PQDIPPBSSA-N 1 2 250.346 1.137 20 30 CDEDLO C#CCCCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000746313210 576770390 /nfs/dbraw/zinc/77/03/90/576770390.db2.gz GEKDLUCELHAVPE-UHFFFAOYSA-N 1 2 286.375 1.662 20 30 CDEDLO Cn1ccnc(N=NC2CCN(c3cccc[nH+]3)CC2)c1=O ZINC000748081156 576894814 /nfs/dbraw/zinc/89/48/14/576894814.db2.gz ZKFXAOTWRJYSDT-UHFFFAOYSA-N 1 2 298.350 1.244 20 30 CDEDLO C=CC[N@@H+](CCC1OCCCO1)CC(=O)OCC ZINC000754640299 576906371 /nfs/dbraw/zinc/90/63/71/576906371.db2.gz LXFRHEMWAQGQMB-UHFFFAOYSA-N 1 2 257.330 1.191 20 30 CDEDLO C=CC[N@H+](CCC1OCCCO1)CC(=O)OCC ZINC000754640299 576906372 /nfs/dbraw/zinc/90/63/72/576906372.db2.gz LXFRHEMWAQGQMB-UHFFFAOYSA-N 1 2 257.330 1.191 20 30 CDEDLO O=S1(=O)C=C(NNc2ccc(C(F)(F)F)n[nH+]2)CC1 ZINC000754710802 576911832 /nfs/dbraw/zinc/91/18/32/576911832.db2.gz GWGZBZPBPNWAGG-UHFFFAOYSA-N 1 2 294.258 1.082 20 30 CDEDLO C#CCOCCC(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000755935378 576969516 /nfs/dbraw/zinc/96/95/16/576969516.db2.gz VNHUZFLPVQUYOO-UHFFFAOYSA-N 1 2 288.338 1.214 20 30 CDEDLO C#CCOCCC(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000755935378 576969517 /nfs/dbraw/zinc/96/95/17/576969517.db2.gz VNHUZFLPVQUYOO-UHFFFAOYSA-N 1 2 288.338 1.214 20 30 CDEDLO COC(=O)C[C@H]1CCC[N@@H+]1Cn1ccc(C)c(C#N)c1=O ZINC000758242110 577089209 /nfs/dbraw/zinc/08/92/09/577089209.db2.gz XNRHVMBODXRTMO-GFCCVEGCSA-N 1 2 289.335 1.013 20 30 CDEDLO COC(=O)C[C@H]1CCC[N@H+]1Cn1ccc(C)c(C#N)c1=O ZINC000758242110 577089210 /nfs/dbraw/zinc/08/92/10/577089210.db2.gz XNRHVMBODXRTMO-GFCCVEGCSA-N 1 2 289.335 1.013 20 30 CDEDLO CCN(CCC#N)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000752816932 577129666 /nfs/dbraw/zinc/12/96/66/577129666.db2.gz ZREUMGWJCQZMLV-UHFFFAOYSA-N 1 2 269.308 1.643 20 30 CDEDLO CC[N@H+](CCC#N)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821207941 606974089 /nfs/dbraw/zinc/97/40/89/606974089.db2.gz YYPIKGLCAKXGDT-UHFFFAOYSA-N 1 2 274.303 1.741 20 30 CDEDLO CC[N@@H+](CCC#N)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821207941 606974090 /nfs/dbraw/zinc/97/40/90/606974090.db2.gz YYPIKGLCAKXGDT-UHFFFAOYSA-N 1 2 274.303 1.741 20 30 CDEDLO O=C(C=Cc1[nH]cc[nH+]1)c1ccc(-c2nn[nH]n2)s1 ZINC000826403134 608093124 /nfs/dbraw/zinc/09/31/24/608093124.db2.gz KURAKSQDCXQFDF-DAFODLJHSA-N 1 2 272.293 1.547 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000890654341 617252244 /nfs/dbraw/zinc/25/22/44/617252244.db2.gz BYYOYNXKAVYVIK-OWCLPIDISA-N 1 2 292.423 1.890 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000890654341 617252248 /nfs/dbraw/zinc/25/22/48/617252248.db2.gz BYYOYNXKAVYVIK-OWCLPIDISA-N 1 2 292.423 1.890 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2coc(CC)n2)C1 ZINC000949935055 612992841 /nfs/dbraw/zinc/99/28/41/612992841.db2.gz ZVQLINONQLYIGS-UHFFFAOYSA-N 1 2 275.352 1.407 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C)n(C(F)F)n2)CC1 ZINC000948552428 613010702 /nfs/dbraw/zinc/01/07/02/613010702.db2.gz JWTLMDCZDJOCGQ-UHFFFAOYSA-N 1 2 296.321 1.368 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2occc2Cl)CC1 ZINC000981895827 613160377 /nfs/dbraw/zinc/16/03/77/613160377.db2.gz VMTWHAKSTPSTAQ-UHFFFAOYSA-N 1 2 266.728 1.714 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2occc2Cl)CC1 ZINC000981895827 613160380 /nfs/dbraw/zinc/16/03/80/613160380.db2.gz VMTWHAKSTPSTAQ-UHFFFAOYSA-N 1 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ZIYFAELLVISXIP-JTQLQIEISA-N 1 2 296.802 1.775 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2c[nH]nc2C)C1 ZINC000967600621 613375704 /nfs/dbraw/zinc/37/57/04/613375704.db2.gz XMKJREIFJYUCII-NOZJJQNGSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2c[nH]nc2C)C1 ZINC000967600621 613375705 /nfs/dbraw/zinc/37/57/05/613375705.db2.gz XMKJREIFJYUCII-NOZJJQNGSA-N 1 2 296.802 1.911 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)C(=O)C(C)(C)C)CC1 ZINC000980857186 613546472 /nfs/dbraw/zinc/54/64/72/613546472.db2.gz ZWACQIMILUAMEY-UHFFFAOYSA-N 1 2 264.369 1.159 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)C(=O)C(C)(C)C)CC1 ZINC000980857186 613546476 /nfs/dbraw/zinc/54/64/76/613546476.db2.gz ZWACQIMILUAMEY-UHFFFAOYSA-N 1 2 264.369 1.159 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H]2CC[C@H](C)O2)CC1 ZINC000950025385 613563265 /nfs/dbraw/zinc/56/32/65/613563265.db2.gz XPZHKRNNUKENNE-UONOGXRCSA-N 1 2 264.369 1.112 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnns2)C1 ZINC000965290408 613576407 /nfs/dbraw/zinc/57/64/07/613576407.db2.gz IOIHNDRYRVAWBM-GHMZBOCLSA-N 1 2 278.381 1.002 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnns2)C1 ZINC000965290408 613576409 /nfs/dbraw/zinc/57/64/09/613576409.db2.gz IOIHNDRYRVAWBM-GHMZBOCLSA-N 1 2 278.381 1.002 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2nccs2)C1 ZINC000968463915 613592773 /nfs/dbraw/zinc/59/27/73/613592773.db2.gz GDHURNYVXJJLKM-RYUDHWBXSA-N 1 2 277.393 1.607 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2nccs2)C1 ZINC000968463915 613592775 /nfs/dbraw/zinc/59/27/75/613592775.db2.gz GDHURNYVXJJLKM-RYUDHWBXSA-N 1 2 277.393 1.607 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@@H]2OCC)C1 ZINC000949716497 613655031 /nfs/dbraw/zinc/65/50/31/613655031.db2.gz VTRMGCHICZXXRW-OLZOCXBDSA-N 1 2 252.358 1.130 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2ccc(=O)[nH]c2)CC1 ZINC000949845327 613707345 /nfs/dbraw/zinc/70/73/45/613707345.db2.gz XDNUJFUKZAEKFI-UHFFFAOYSA-N 1 2 275.352 1.050 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2cnccc2C)CC1 ZINC000948834943 613709965 /nfs/dbraw/zinc/70/99/65/613709965.db2.gz FUAQPYSMPYYHLZ-UHFFFAOYSA-N 1 2 259.353 1.263 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(N(C)C)cn2)CC1 ZINC000957823430 613716222 /nfs/dbraw/zinc/71/62/22/613716222.db2.gz REUDHGSYDIPPMQ-UHFFFAOYSA-N 1 2 274.368 1.091 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cn(C(C)C)cn2)CC1 ZINC000949479646 613717443 /nfs/dbraw/zinc/71/74/43/613717443.db2.gz LJODPIONZOUNQK-UHFFFAOYSA-N 1 2 262.357 1.408 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)C3CC3)C2)C1 ZINC000972512106 613722951 /nfs/dbraw/zinc/72/29/51/613722951.db2.gz PUQSOHALUDTFGD-KRWDZBQOSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)C3CC3)C2)C1 ZINC000972512106 613722952 /nfs/dbraw/zinc/72/29/52/613722952.db2.gz PUQSOHALUDTFGD-KRWDZBQOSA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC3CCC3)C2)C1 ZINC000972316624 613725312 /nfs/dbraw/zinc/72/53/12/613725312.db2.gz NGDHYFRBAFDNKZ-MRXNPFEDSA-N 1 2 278.396 1.666 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CC3CCC3)C2)C1 ZINC000972316624 613725315 /nfs/dbraw/zinc/72/53/15/613725315.db2.gz NGDHYFRBAFDNKZ-MRXNPFEDSA-N 1 2 278.396 1.666 20 30 CDEDLO C[N@H+](Cc1csc(C#N)c1)[C@@H]1CCCCNC1=O ZINC000891855224 617665858 /nfs/dbraw/zinc/66/58/58/617665858.db2.gz SSEWXEGVNOFVDW-GFCCVEGCSA-N 1 2 263.366 1.720 20 30 CDEDLO C[N@@H+](Cc1csc(C#N)c1)[C@@H]1CCCCNC1=O ZINC000891855224 617665864 /nfs/dbraw/zinc/66/58/64/617665864.db2.gz SSEWXEGVNOFVDW-GFCCVEGCSA-N 1 2 263.366 1.720 20 30 CDEDLO C#C[C@H]([NH2+]Cc1ccnc(OC)c1F)[C@@H]1CCCO1 ZINC000893677399 617830815 /nfs/dbraw/zinc/83/08/15/617830815.db2.gz SYWXVEXFDSUTAJ-RYUDHWBXSA-N 1 2 264.300 1.500 20 30 CDEDLO COCCOc1ccc(C[NH2+]CC2(C#N)CC2)o1 ZINC000894204094 618694900 /nfs/dbraw/zinc/69/49/00/618694900.db2.gz KQIABSQNZYJHOX-UHFFFAOYSA-N 1 2 250.298 1.698 20 30 CDEDLO C#CC1CCN(c2cc(N[C@H](CC)CO)[nH+]cn2)CC1 ZINC000894355590 618815780 /nfs/dbraw/zinc/81/57/80/618815780.db2.gz CVFLFPKIIJGCSQ-CYBMUJFWSA-N 1 2 274.368 1.509 20 30 CDEDLO C#CC1CCN(c2cc(N[C@H](CC)CO)nc[nH+]2)CC1 ZINC000894355590 618815785 /nfs/dbraw/zinc/81/57/85/618815785.db2.gz CVFLFPKIIJGCSQ-CYBMUJFWSA-N 1 2 274.368 1.509 20 30 CDEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@H](OCC)C1)C(=O)OC ZINC000894855558 619101991 /nfs/dbraw/zinc/10/19/91/619101991.db2.gz UNPKWRFUYBQYDU-AVGNSLFASA-N 1 2 253.342 1.489 20 30 CDEDLO C[C@@H](Nc1nc(Cl)c(C#N)s1)[C@H]1CN(C)CC[N@@H+]1C ZINC000895247104 619492670 /nfs/dbraw/zinc/49/26/70/619492670.db2.gz SORWJLHWPGAORF-RKDXNWHRSA-N 1 2 299.831 1.714 20 30 CDEDLO C[C@@H](Nc1nc(Cl)c(C#N)s1)[C@H]1CN(C)CC[N@H+]1C ZINC000895247104 619492675 /nfs/dbraw/zinc/49/26/75/619492675.db2.gz SORWJLHWPGAORF-RKDXNWHRSA-N 1 2 299.831 1.714 20 30 CDEDLO C[C@H](CC(=O)Nc1ncc(C#N)s1)n1cc[nH+]c1 ZINC000896491882 620110611 /nfs/dbraw/zinc/11/06/11/620110611.db2.gz DKDSSXKASYCFIF-MRVPVSSYSA-N 1 2 261.310 1.801 20 30 CDEDLO C=C(C)COCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000896994611 620335896 /nfs/dbraw/zinc/33/58/96/620335896.db2.gz DWYZORIEFOVZGV-CQSZACIVSA-N 1 2 292.383 1.499 20 30 CDEDLO C=C(C)COCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000896994611 620335899 /nfs/dbraw/zinc/33/58/99/620335899.db2.gz DWYZORIEFOVZGV-CQSZACIVSA-N 1 2 292.383 1.499 20 30 CDEDLO Cc1[nH]c(C2CCN(C(=O)[C@H](C)C#N)CC2)[nH+]c1C ZINC000899505448 622290118 /nfs/dbraw/zinc/29/01/18/622290118.db2.gz BGJACNJCTYZQJJ-SECBINFHSA-N 1 2 260.341 1.892 20 30 CDEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cn(Cc2ncon2)nn1 ZINC000906298716 627179663 /nfs/dbraw/zinc/17/96/63/627179663.db2.gz KPGCGSWFUMTIBX-GFCCVEGCSA-N 1 2 274.328 1.250 20 30 CDEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cn(Cc2ncon2)nn1 ZINC000906298716 627179666 /nfs/dbraw/zinc/17/96/66/627179666.db2.gz KPGCGSWFUMTIBX-GFCCVEGCSA-N 1 2 274.328 1.250 20 30 CDEDLO C=CCNc1ncc(C(=O)N2CC[N@@H+](C)C[C@H]2CC)s1 ZINC000908444681 628205029 /nfs/dbraw/zinc/20/50/29/628205029.db2.gz WKXXTCIGYHQRNR-LLVKDONJSA-N 1 2 294.424 1.907 20 30 CDEDLO C=CCNc1ncc(C(=O)N2CC[N@H+](C)C[C@H]2CC)s1 ZINC000908444681 628205033 /nfs/dbraw/zinc/20/50/33/628205033.db2.gz WKXXTCIGYHQRNR-LLVKDONJSA-N 1 2 294.424 1.907 20 30 CDEDLO C=CCC[C@H]1CCCN1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000911980344 629676689 /nfs/dbraw/zinc/67/66/89/629676689.db2.gz AELAQKXGZQHRKZ-CABCVRRESA-N 1 2 295.427 1.847 20 30 CDEDLO N#Cc1ccc(N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cc1 ZINC000913478882 630499615 /nfs/dbraw/zinc/49/96/15/630499615.db2.gz RSYVQKFZYHBSJF-UHFFFAOYSA-N 1 2 295.346 1.173 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2conc2C(C)C)C1 ZINC000923595381 630642426 /nfs/dbraw/zinc/64/24/26/630642426.db2.gz UHLSYCSWNPFNET-GFCCVEGCSA-N 1 2 275.352 1.625 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2conc2C(C)C)C1 ZINC000923595381 630642428 /nfs/dbraw/zinc/64/24/28/630642428.db2.gz UHLSYCSWNPFNET-GFCCVEGCSA-N 1 2 275.352 1.625 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000788038122 631694274 /nfs/dbraw/zinc/69/42/74/631694274.db2.gz SHROFOCFXKIRKW-LLVKDONJSA-N 1 2 275.352 1.870 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ncc(C)cc1OC ZINC001480875934 1158557255 /nfs/dbraw/zinc/55/72/55/1158557255.db2.gz MUFQUZZAIIAMNY-UHFFFAOYSA-N 1 2 297.786 1.813 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ncc(C)cc1OC ZINC001480875934 1158557256 /nfs/dbraw/zinc/55/72/56/1158557256.db2.gz MUFQUZZAIIAMNY-UHFFFAOYSA-N 1 2 297.786 1.813 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)co2)[C@@H](O)C1 ZINC001090489075 1162682986 /nfs/dbraw/zinc/68/29/86/1162682986.db2.gz HZNBXSUQCRSMRP-NEPJUHHUSA-N 1 2 298.770 1.506 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)co2)[C@@H](O)C1 ZINC001090489075 1162682989 /nfs/dbraw/zinc/68/29/89/1162682989.db2.gz HZNBXSUQCRSMRP-NEPJUHHUSA-N 1 2 298.770 1.506 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C)CCC2)[C@@H](O)C1 ZINC001090492450 1162701947 /nfs/dbraw/zinc/70/19/47/1162701947.db2.gz JOVLMZHUXZUKDC-RYUDHWBXSA-N 1 2 286.803 1.481 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C)CCC2)[C@@H](O)C1 ZINC001090492450 1162701952 /nfs/dbraw/zinc/70/19/52/1162701952.db2.gz JOVLMZHUXZUKDC-RYUDHWBXSA-N 1 2 286.803 1.481 20 30 CDEDLO C=CC[NH+]1CCN([C@H]2CC[C@@H](C(=O)OC)C2)CC1 ZINC001170548868 1162839770 /nfs/dbraw/zinc/83/97/70/1162839770.db2.gz GYZRSLXVRWQMQQ-OLZOCXBDSA-N 1 2 252.358 1.132 20 30 CDEDLO Cn1ncc2c1C[N@H+](CCc1ccc(C#N)cc1)C2 ZINC001208926229 1158489614 /nfs/dbraw/zinc/48/96/14/1158489614.db2.gz LCCFEMWZSSCJCX-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO Cn1ncc2c1C[N@@H+](CCc1ccc(C#N)cc1)C2 ZINC001208926229 1158489617 /nfs/dbraw/zinc/48/96/17/1158489617.db2.gz LCCFEMWZSSCJCX-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO Cc1cnc([C@@H](C)[NH2+]CCNC(=O)C#CC(C)(C)C)o1 ZINC001126912802 1160760949 /nfs/dbraw/zinc/76/09/49/1160760949.db2.gz WLWXXDHAJLQKIF-GFCCVEGCSA-N 1 2 277.368 1.799 20 30 CDEDLO C#CCCCCC(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001112772734 1162053382 /nfs/dbraw/zinc/05/33/82/1162053382.db2.gz HYYBZXBRQRLNQC-UHFFFAOYSA-N 1 2 288.395 1.258 20 30 CDEDLO Cc1nc(N[C@@H](C)[C@H](C)NC(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001113012038 1162069748 /nfs/dbraw/zinc/06/97/48/1162069748.db2.gz KLBFJJVKYDCIMS-UWVGGRQHSA-N 1 2 298.350 1.604 20 30 CDEDLO C#CCCCC(=O)NC[C@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113581190 1162231081 /nfs/dbraw/zinc/23/10/81/1162231081.db2.gz MEUXLMJQLOWLGY-LBPRGKRZSA-N 1 2 274.368 1.529 20 30 CDEDLO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H](C#N)CCC#N ZINC001604814173 1163335605 /nfs/dbraw/zinc/33/56/05/1163335605.db2.gz HXCAMDDEASKDKC-ZDUSSCGKSA-N 1 2 295.350 1.742 20 30 CDEDLO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H](C#N)CCC#N ZINC001604814173 1163335613 /nfs/dbraw/zinc/33/56/13/1163335613.db2.gz HXCAMDDEASKDKC-ZDUSSCGKSA-N 1 2 295.350 1.742 20 30 CDEDLO N#CCOc1ccc(C[NH+]2CC(N3CC(F)C3)C2)cc1 ZINC001137114574 1165941405 /nfs/dbraw/zinc/94/14/05/1165941405.db2.gz QVDXRDLAKFECPD-UHFFFAOYSA-N 1 2 275.327 1.427 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001646619362 1167985787 /nfs/dbraw/zinc/98/57/87/1167985787.db2.gz UZNHDRBZKGKTIG-GWCFXTLKSA-N 1 2 277.755 1.973 20 30 CDEDLO N#Cc1cccc(-c2nn[nH]n2)c1N1CCc2[nH+]c[nH]c2C1 ZINC001581874065 1172627088 /nfs/dbraw/zinc/62/70/88/1172627088.db2.gz CFJAXNFOIDCLOB-UHFFFAOYSA-N 1 2 292.306 1.024 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cc(Cl)cc(-c2nn[nH]n2)c1 ZINC001588350364 1173050259 /nfs/dbraw/zinc/05/02/59/1173050259.db2.gz QSYFKLAGLJXJOR-UHFFFAOYSA-N 1 2 299.765 1.979 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cc(Cl)cc(-c2nn[nH]n2)c1 ZINC001588350364 1173050250 /nfs/dbraw/zinc/05/02/50/1173050250.db2.gz QSYFKLAGLJXJOR-UHFFFAOYSA-N 1 2 299.765 1.979 20 30 CDEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001590054491 1173240800 /nfs/dbraw/zinc/24/08/00/1173240800.db2.gz KUZSQDMPOJDJDJ-LBPRGKRZSA-N 1 2 274.353 1.664 20 30 CDEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001590054491 1173240804 /nfs/dbraw/zinc/24/08/04/1173240804.db2.gz KUZSQDMPOJDJDJ-LBPRGKRZSA-N 1 2 274.353 1.664 20 30 CDEDLO C[N@H+](Cc1cc(-c2nn[nH]n2)ccn1)[C@@H]1CCC[C@H]1C#N ZINC001591125813 1173575037 /nfs/dbraw/zinc/57/50/37/1173575037.db2.gz WECUTESMAXVZRM-WCQYABFASA-N 1 2 283.339 1.386 20 30 CDEDLO C[N@@H+](Cc1cc(-c2nn[nH]n2)ccn1)[C@@H]1CCC[C@H]1C#N ZINC001591125813 1173575041 /nfs/dbraw/zinc/57/50/41/1173575041.db2.gz WECUTESMAXVZRM-WCQYABFASA-N 1 2 283.339 1.386 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccsn1 ZINC001714555396 1179211884 /nfs/dbraw/zinc/21/18/84/1179211884.db2.gz RQSJXRCHYSJXHB-UHFFFAOYSA-N 1 2 259.762 1.557 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccsn1 ZINC001714555396 1179211888 /nfs/dbraw/zinc/21/18/88/1179211888.db2.gz RQSJXRCHYSJXHB-UHFFFAOYSA-N 1 2 259.762 1.557 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)COCC)C1 ZINC001733398080 1183419917 /nfs/dbraw/zinc/41/99/17/1183419917.db2.gz IZLRLRFWWMJDCI-GFCCVEGCSA-N 1 2 260.765 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)COCC)C1 ZINC001733398080 1183419918 /nfs/dbraw/zinc/41/99/18/1183419918.db2.gz IZLRLRFWWMJDCI-GFCCVEGCSA-N 1 2 260.765 1.356 20 30 CDEDLO CC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1ccns1 ZINC001753079623 1185045974 /nfs/dbraw/zinc/04/59/74/1185045974.db2.gz SXTJFFSXYNGCBF-JTQLQIEISA-N 1 2 266.370 1.241 20 30 CDEDLO CC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1ccns1 ZINC001753079623 1185045980 /nfs/dbraw/zinc/04/59/80/1185045980.db2.gz SXTJFFSXYNGCBF-JTQLQIEISA-N 1 2 266.370 1.241 20 30 CDEDLO C=C/C(C)=C/CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#CCOC ZINC001753422893 1185198297 /nfs/dbraw/zinc/19/82/97/1185198297.db2.gz OXNFJLQJBUCUBR-JEYQBLLFSA-N 1 2 288.391 1.444 20 30 CDEDLO C=C/C(C)=C/CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#CCOC ZINC001753422893 1185198301 /nfs/dbraw/zinc/19/83/01/1185198301.db2.gz OXNFJLQJBUCUBR-JEYQBLLFSA-N 1 2 288.391 1.444 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)CC(C)C)C1 ZINC001753647519 1185285472 /nfs/dbraw/zinc/28/54/72/1185285472.db2.gz NHFUNVQNQVLFCS-ZDUSSCGKSA-N 1 2 254.374 1.426 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)CC(C)C)C1 ZINC001753647519 1185285474 /nfs/dbraw/zinc/28/54/74/1185285474.db2.gz NHFUNVQNQVLFCS-ZDUSSCGKSA-N 1 2 254.374 1.426 20 30 CDEDLO C#CCCCCC(=O)N[C@H](C)C[NH2+][C@@H](C)c1nnc(C)o1 ZINC001754223717 1185515324 /nfs/dbraw/zinc/51/53/24/1185515324.db2.gz IGUHOQAWZAYABW-NEPJUHHUSA-N 1 2 292.383 1.727 20 30 CDEDLO C=CCC1(C(=O)NCC2(O)C[NH+](CC[C@@H](C)F)C2)CCC1 ZINC001754773060 1185728787 /nfs/dbraw/zinc/72/87/87/1185728787.db2.gz BJDQYKWWPQDRAZ-CYBMUJFWSA-N 1 2 298.402 1.644 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C(C)(F)F)C1 ZINC001755371358 1185931141 /nfs/dbraw/zinc/93/11/41/1185931141.db2.gz QBIGBCHOVSDQLW-MRVPVSSYSA-N 1 2 266.719 1.831 20 30 CDEDLO C#CCCCCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000176958261 726019991 /nfs/dbraw/zinc/01/99/91/726019991.db2.gz KFCNYWZWPSLMNO-UHFFFAOYSA-N 1 2 281.400 1.200 20 30 CDEDLO C#CCCCCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000176958261 726019992 /nfs/dbraw/zinc/01/99/92/726019992.db2.gz KFCNYWZWPSLMNO-UHFFFAOYSA-N 1 2 281.400 1.200 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(CC)on2)C1 ZINC001044202454 726065193 /nfs/dbraw/zinc/06/51/93/726065193.db2.gz UYOGPKDRTIYRQJ-UHFFFAOYSA-N 1 2 261.325 1.017 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1CCCCCCC1 ZINC000884047145 727044354 /nfs/dbraw/zinc/04/43/54/727044354.db2.gz GQISFSPFNVJRCI-ZDUSSCGKSA-N 1 2 282.384 1.662 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)oc1C ZINC001050816957 726009119 /nfs/dbraw/zinc/00/91/19/726009119.db2.gz FNVWMJAGIMJQIQ-AWEZNQCLSA-N 1 2 292.379 1.903 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)oc1C ZINC001050816957 726009120 /nfs/dbraw/zinc/00/91/20/726009120.db2.gz FNVWMJAGIMJQIQ-AWEZNQCLSA-N 1 2 292.379 1.903 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCOC2)C1 ZINC001032950381 726011287 /nfs/dbraw/zinc/01/12/87/726011287.db2.gz FCBRJEXAOOROBT-CHWSQXEVSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCOC2)C1 ZINC001032950381 726011288 /nfs/dbraw/zinc/01/12/88/726011288.db2.gz FCBRJEXAOOROBT-CHWSQXEVSA-N 1 2 286.803 1.698 20 30 CDEDLO Cn1c(CC#N)nn(C[N@H+](C)C[C@H]2CCCOC2)c1=S ZINC000794625927 726012720 /nfs/dbraw/zinc/01/27/20/726012720.db2.gz LTHJFJNRYKQKGH-LLVKDONJSA-N 1 2 295.412 1.333 20 30 CDEDLO Cn1c(CC#N)nn(C[N@@H+](C)C[C@H]2CCCOC2)c1=S ZINC000794625927 726012721 /nfs/dbraw/zinc/01/27/21/726012721.db2.gz LTHJFJNRYKQKGH-LLVKDONJSA-N 1 2 295.412 1.333 20 30 CDEDLO C#CC[N@H+](C)CCCNC(=O)c1cccc(Cl)c1O ZINC000818606445 726013639 /nfs/dbraw/zinc/01/36/39/726013639.db2.gz UAOMLCUOLSKNOL-UHFFFAOYSA-N 1 2 280.755 1.731 20 30 CDEDLO C#CC[N@@H+](C)CCCNC(=O)c1cccc(Cl)c1O ZINC000818606445 726013640 /nfs/dbraw/zinc/01/36/40/726013640.db2.gz UAOMLCUOLSKNOL-UHFFFAOYSA-N 1 2 280.755 1.731 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1nc(C2CC2)oc1C ZINC001038859075 726014156 /nfs/dbraw/zinc/01/41/56/726014156.db2.gz WCSNHBRCTJYACA-LBPRGKRZSA-N 1 2 273.336 1.298 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1nc(C2CC2)oc1C ZINC001038859075 726014157 /nfs/dbraw/zinc/01/41/57/726014157.db2.gz WCSNHBRCTJYACA-LBPRGKRZSA-N 1 2 273.336 1.298 20 30 CDEDLO COc1ccc(C#N)cc1CO[NH+]=C(N)Cc1cccnc1 ZINC000092916080 726015953 /nfs/dbraw/zinc/01/59/53/726015953.db2.gz RMDQREIBZDGDCB-UHFFFAOYSA-N 1 2 296.330 1.993 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccn(C(C)(C)C)n2)C1 ZINC001030393415 726016477 /nfs/dbraw/zinc/01/64/77/726016477.db2.gz VOOQTAGYOWVPFQ-UHFFFAOYSA-N 1 2 274.368 1.075 20 30 CDEDLO COc1ccc(C[N@@H+]2CCC[C@@](F)(CO)C2)cc1C#N ZINC000286735066 726034287 /nfs/dbraw/zinc/03/42/87/726034287.db2.gz DEUXEGVUBKYJID-HNNXBMFYSA-N 1 2 278.327 1.863 20 30 CDEDLO COc1ccc(C[N@H+]2CCC[C@@](F)(CO)C2)cc1C#N ZINC000286735066 726034292 /nfs/dbraw/zinc/03/42/92/726034292.db2.gz DEUXEGVUBKYJID-HNNXBMFYSA-N 1 2 278.327 1.863 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccc3[nH]c(=O)[nH]c32)C1 ZINC001042953244 726050656 /nfs/dbraw/zinc/05/06/56/726050656.db2.gz KGWKRFAFVMYTBI-UHFFFAOYSA-N 1 2 298.346 1.048 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2n(n1)CCCC2 ZINC001017644984 726053888 /nfs/dbraw/zinc/05/38/88/726053888.db2.gz CDSKCCONUCVCMB-GASCZTMLSA-N 1 2 298.390 1.141 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2n(n1)CCCC2 ZINC001017644984 726053892 /nfs/dbraw/zinc/05/38/92/726053892.db2.gz CDSKCCONUCVCMB-GASCZTMLSA-N 1 2 298.390 1.141 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2C)C1 ZINC001010195732 726058372 /nfs/dbraw/zinc/05/83/72/726058372.db2.gz NKGJWBFPJCKBTF-NSHDSACASA-N 1 2 282.775 1.285 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2C)C1 ZINC001010195732 726058376 /nfs/dbraw/zinc/05/83/76/726058376.db2.gz NKGJWBFPJCKBTF-NSHDSACASA-N 1 2 282.775 1.285 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccn(CC(F)F)n2)C1 ZINC001043008061 726059353 /nfs/dbraw/zinc/05/93/53/726059353.db2.gz OEVOMIVREWBJLG-UHFFFAOYSA-N 1 2 298.337 1.481 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1conc1C)CCO2 ZINC001053406572 726072484 /nfs/dbraw/zinc/07/24/84/726072484.db2.gz JFZVLSAKSKJWRL-UHFFFAOYSA-N 1 2 291.351 1.086 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cccc(CC)n2)C1 ZINC001035398669 726138225 /nfs/dbraw/zinc/13/82/25/726138225.db2.gz XGQUSDWUCOVSRB-CQSZACIVSA-N 1 2 289.379 1.261 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cccc(CC)n2)C1 ZINC001035398669 726138228 /nfs/dbraw/zinc/13/82/28/726138228.db2.gz XGQUSDWUCOVSRB-CQSZACIVSA-N 1 2 289.379 1.261 20 30 CDEDLO C#C[C@@H](NC(=O)Nc1cc(C)[nH+]cc1C)[C@@H]1CCCO1 ZINC000775696492 726145254 /nfs/dbraw/zinc/14/52/54/726145254.db2.gz BDZULZDQUNLJJZ-OCCSQVGLSA-N 1 2 273.336 1.423 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2nc(C)c[nH]2)C1 ZINC001046687963 726152659 /nfs/dbraw/zinc/15/26/59/726152659.db2.gz LSHFACPDKNZCTC-CYBMUJFWSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2nc(C)c[nH]2)C1 ZINC001046687963 726152662 /nfs/dbraw/zinc/15/26/62/726152662.db2.gz LSHFACPDKNZCTC-CYBMUJFWSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001014798135 726155445 /nfs/dbraw/zinc/15/54/45/726155445.db2.gz QWMFPRNUVXGOLX-UPJWGTAASA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001014798135 726155448 /nfs/dbraw/zinc/15/54/48/726155448.db2.gz QWMFPRNUVXGOLX-UPJWGTAASA-N 1 2 286.803 1.745 20 30 CDEDLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000782591358 726160542 /nfs/dbraw/zinc/16/05/42/726160542.db2.gz DYLCKBWMYOPMHF-CYBMUJFWSA-N 1 2 287.363 1.490 20 30 CDEDLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCCOc1cccc(C#N)c1 ZINC000782591358 726160547 /nfs/dbraw/zinc/16/05/47/726160547.db2.gz DYLCKBWMYOPMHF-CYBMUJFWSA-N 1 2 287.363 1.490 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccoc2)CC1 ZINC000859558170 726174934 /nfs/dbraw/zinc/17/49/34/726174934.db2.gz YUFJPPTXPISVCB-UHFFFAOYSA-N 1 2 275.304 1.351 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1coc(OCC)n1 ZINC001038460494 726180540 /nfs/dbraw/zinc/18/05/40/726180540.db2.gz HFAJDXUPYNLXQG-JTQLQIEISA-N 1 2 265.313 1.063 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(OCC)n1 ZINC001038460494 726180542 /nfs/dbraw/zinc/18/05/42/726180542.db2.gz HFAJDXUPYNLXQG-JTQLQIEISA-N 1 2 265.313 1.063 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2c1cccc2Cl ZINC001039067319 726196540 /nfs/dbraw/zinc/19/65/40/726196540.db2.gz MRBZMEWFWZVJBF-SMDDNHRTSA-N 1 2 288.778 1.803 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2c1cccc2Cl ZINC001039067319 726196544 /nfs/dbraw/zinc/19/65/44/726196544.db2.gz MRBZMEWFWZVJBF-SMDDNHRTSA-N 1 2 288.778 1.803 20 30 CDEDLO COc1c(C)c[nH+]c(CNC(=O)NCCCC#N)c1C ZINC000784254286 726206731 /nfs/dbraw/zinc/20/67/31/726206731.db2.gz IMBQZMLGXZNRCC-UHFFFAOYSA-N 1 2 276.340 1.810 20 30 CDEDLO C#CC[C@H]([NH2+][C@@H]1CCCC12CCOCC2)C(=O)OC ZINC000839169283 726214246 /nfs/dbraw/zinc/21/42/46/726214246.db2.gz QVSUXMQNWMYPKH-QWHCGFSZSA-N 1 2 265.353 1.490 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(F)ccc2C)C1 ZINC001043495443 726214727 /nfs/dbraw/zinc/21/47/27/726214727.db2.gz SBHMXPYQSYGAJM-UHFFFAOYSA-N 1 2 274.339 1.914 20 30 CDEDLO C=CCC1(C(=O)O[C@@H](C)C[NH+]2CCOCC2)CCC1 ZINC000791563253 726241935 /nfs/dbraw/zinc/24/19/35/726241935.db2.gz TWDORUVNMCEJDD-ZDUSSCGKSA-N 1 2 267.369 1.997 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2cccc(F)c21 ZINC000884323725 726244983 /nfs/dbraw/zinc/24/49/83/726244983.db2.gz WKXGGFJWVPZZCK-LBPRGKRZSA-N 1 2 292.310 1.161 20 30 CDEDLO C=CC(C)(C)CNC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875639895 726275046 /nfs/dbraw/zinc/27/50/46/726275046.db2.gz HKBPROFICXAAIQ-ZDUSSCGKSA-N 1 2 283.416 1.609 20 30 CDEDLO C=CC(C)(C)CNC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875639895 726275053 /nfs/dbraw/zinc/27/50/53/726275053.db2.gz HKBPROFICXAAIQ-ZDUSSCGKSA-N 1 2 283.416 1.609 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(C#N)c1 ZINC001017490744 726294141 /nfs/dbraw/zinc/29/41/41/726294141.db2.gz JDMCDDGXVZMJTO-GASCZTMLSA-N 1 2 282.347 1.198 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(C#N)c1 ZINC001017490744 726294145 /nfs/dbraw/zinc/29/41/45/726294145.db2.gz JDMCDDGXVZMJTO-GASCZTMLSA-N 1 2 282.347 1.198 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C(C)(C)c2cccs2)C1 ZINC001030786958 726306577 /nfs/dbraw/zinc/30/65/77/726306577.db2.gz ILWAMRKIDANCTL-UHFFFAOYSA-N 1 2 276.405 1.849 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)CCO2 ZINC001032643909 726307635 /nfs/dbraw/zinc/30/76/35/726307635.db2.gz PDMKVIQMRKHWRK-GJZGRUSLSA-N 1 2 282.343 1.153 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)CCO2 ZINC001032643909 726307640 /nfs/dbraw/zinc/30/76/40/726307640.db2.gz PDMKVIQMRKHWRK-GJZGRUSLSA-N 1 2 282.343 1.153 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2C[C@@H](F)CC)nc1 ZINC001038929774 726317028 /nfs/dbraw/zinc/31/70/28/726317028.db2.gz DYENUVKMALDLIZ-UONOGXRCSA-N 1 2 289.354 1.615 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C[C@@H](F)CC)nc1 ZINC001038929774 726317031 /nfs/dbraw/zinc/31/70/31/726317031.db2.gz DYENUVKMALDLIZ-UONOGXRCSA-N 1 2 289.354 1.615 20 30 CDEDLO C=CCCn1cc(C[NH+]2CCC(C(C)(C)O)CC2)nn1 ZINC000877751908 726331184 /nfs/dbraw/zinc/33/11/84/726331184.db2.gz KKCMEOOCHSYLFE-UHFFFAOYSA-N 1 2 278.400 1.837 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000836474535 726334250 /nfs/dbraw/zinc/33/42/50/726334250.db2.gz MVEOPFOYIIQNPR-YPMHNXCESA-N 1 2 290.367 1.921 20 30 CDEDLO C[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H]1CC(C)(C)OC1=O ZINC000795717456 726346203 /nfs/dbraw/zinc/34/62/03/726346203.db2.gz MHJYXXFKZSKKEK-KBPBESRZSA-N 1 2 288.347 1.618 20 30 CDEDLO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H]1CC(C)(C)OC1=O ZINC000795717456 726346207 /nfs/dbraw/zinc/34/62/07/726346207.db2.gz MHJYXXFKZSKKEK-KBPBESRZSA-N 1 2 288.347 1.618 20 30 CDEDLO CCCc1noc(CO[NH+]=C(N)c2ccc(OC)cc2)n1 ZINC000122198164 726346447 /nfs/dbraw/zinc/34/64/47/726346447.db2.gz DRLFVSGAVIUJTF-UHFFFAOYSA-N 1 2 290.323 1.868 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2nc[nH]c21 ZINC001032695970 726370682 /nfs/dbraw/zinc/37/06/82/726370682.db2.gz ZMORFMBHIMNAIJ-RYUDHWBXSA-N 1 2 280.331 1.095 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2nc[nH]c21 ZINC001032695970 726370687 /nfs/dbraw/zinc/37/06/87/726370687.db2.gz ZMORFMBHIMNAIJ-RYUDHWBXSA-N 1 2 280.331 1.095 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cn(CCC)nc2C)C1 ZINC001031143198 726376588 /nfs/dbraw/zinc/37/65/88/726376588.db2.gz SXQOOJKOWALCFR-UHFFFAOYSA-N 1 2 274.368 1.039 20 30 CDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C(F)F)CC1 ZINC001004311628 726380679 /nfs/dbraw/zinc/38/06/79/726380679.db2.gz KORHJLTYJOZKLE-LLVKDONJSA-N 1 2 271.311 1.478 20 30 CDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(F)F)CC1 ZINC001004311628 726380685 /nfs/dbraw/zinc/38/06/85/726380685.db2.gz KORHJLTYJOZKLE-LLVKDONJSA-N 1 2 271.311 1.478 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1C ZINC001017456497 726390643 /nfs/dbraw/zinc/39/06/43/726390643.db2.gz LDSUFHLFFHAAER-OKILXGFUSA-N 1 2 269.348 1.312 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1C ZINC001017456497 726390646 /nfs/dbraw/zinc/39/06/46/726390646.db2.gz LDSUFHLFFHAAER-OKILXGFUSA-N 1 2 269.348 1.312 20 30 CDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2CCOC2)C1 ZINC001031571292 726409163 /nfs/dbraw/zinc/40/91/63/726409163.db2.gz KESCHZBGEUZKOS-INIZCTEOSA-N 1 2 299.374 1.143 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1occc1C)O2 ZINC001053572530 726411615 /nfs/dbraw/zinc/41/16/15/726411615.db2.gz SIERJAXGJVSFJB-ZDUSSCGKSA-N 1 2 290.363 1.737 20 30 CDEDLO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC001027575320 726802660 /nfs/dbraw/zinc/80/26/60/726802660.db2.gz WSAGSNMYFCEGJF-SNVBAGLBSA-N 1 2 296.321 1.517 20 30 CDEDLO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC001027575320 726802661 /nfs/dbraw/zinc/80/26/61/726802661.db2.gz WSAGSNMYFCEGJF-SNVBAGLBSA-N 1 2 296.321 1.517 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cn(C)nc2C)C1 ZINC001046192536 726812638 /nfs/dbraw/zinc/81/26/38/726812638.db2.gz OCARMZHAHHVXCO-AWEZNQCLSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cn(C)nc2C)C1 ZINC001046192536 726812642 /nfs/dbraw/zinc/81/26/42/726812642.db2.gz OCARMZHAHHVXCO-AWEZNQCLSA-N 1 2 296.802 1.675 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)nc2ccccc21 ZINC001038986941 726815703 /nfs/dbraw/zinc/81/57/03/726815703.db2.gz WWUNYLMSOYNTGD-AWEZNQCLSA-N 1 2 293.370 1.981 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)nc2ccccc21 ZINC001038986941 726815706 /nfs/dbraw/zinc/81/57/06/726815706.db2.gz WWUNYLMSOYNTGD-AWEZNQCLSA-N 1 2 293.370 1.981 20 30 CDEDLO CC[N@H+](CCSC)Cn1ccc(C)c(C#N)c1=O ZINC000842647271 726819084 /nfs/dbraw/zinc/81/90/84/726819084.db2.gz UIGQGMRXFOLPNJ-UHFFFAOYSA-N 1 2 265.382 1.671 20 30 CDEDLO CC[N@@H+](CCSC)Cn1ccc(C)c(C#N)c1=O ZINC000842647271 726819086 /nfs/dbraw/zinc/81/90/86/726819086.db2.gz UIGQGMRXFOLPNJ-UHFFFAOYSA-N 1 2 265.382 1.671 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)coc1C ZINC001032385723 726832301 /nfs/dbraw/zinc/83/23/01/726832301.db2.gz YABVIGCFSUBUHZ-KBPBESRZSA-N 1 2 272.348 1.818 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)coc1C ZINC001032385723 726832305 /nfs/dbraw/zinc/83/23/05/726832305.db2.gz YABVIGCFSUBUHZ-KBPBESRZSA-N 1 2 272.348 1.818 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)on1 ZINC001017338228 726844213 /nfs/dbraw/zinc/84/42/13/726844213.db2.gz QPHFBWHBNAOZMB-TXEJJXNPSA-N 1 2 261.325 1.458 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)on1 ZINC001017338228 726844216 /nfs/dbraw/zinc/84/42/16/726844216.db2.gz QPHFBWHBNAOZMB-TXEJJXNPSA-N 1 2 261.325 1.458 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(-c2ncon2)cc1 ZINC001038929488 726848968 /nfs/dbraw/zinc/84/89/68/726848968.db2.gz CXJMTEDPOJUJOP-AWEZNQCLSA-N 1 2 296.330 1.174 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-c2ncon2)cc1 ZINC001038929488 726848970 /nfs/dbraw/zinc/84/89/70/726848970.db2.gz CXJMTEDPOJUJOP-AWEZNQCLSA-N 1 2 296.330 1.174 20 30 CDEDLO Cc1cc(C)nc(N=NC(C)c2ccc(N)[nH+]c2)n1 ZINC000814681670 726853097 /nfs/dbraw/zinc/85/30/97/726853097.db2.gz XHXDCXXEKOBJJF-UHFFFAOYSA-N 1 2 256.313 1.907 20 30 CDEDLO C#CCCN(CC[NH+]1CCOCC1)c1ccccc1F ZINC000859749381 726864921 /nfs/dbraw/zinc/86/49/21/726864921.db2.gz FNEMMMCLLYEYQR-UHFFFAOYSA-N 1 2 276.355 1.988 20 30 CDEDLO CC[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1NCC#N ZINC001037841891 726866210 /nfs/dbraw/zinc/86/62/10/726866210.db2.gz QVSJSKBNTPRRHL-STQMWFEESA-N 1 2 289.383 1.083 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CCC3)C[C@H]21 ZINC001074133955 726873280 /nfs/dbraw/zinc/87/32/80/726873280.db2.gz UPXDNRXKPBJGGV-HUUCEWRRSA-N 1 2 278.396 1.664 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3CCC3)C[C@H]21 ZINC001074133955 726873281 /nfs/dbraw/zinc/87/32/81/726873281.db2.gz UPXDNRXKPBJGGV-HUUCEWRRSA-N 1 2 278.396 1.664 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@H]1C[C@H]1C)CCO2 ZINC001053411574 726877230 /nfs/dbraw/zinc/87/72/30/726877230.db2.gz LASWKDCNLUTNNS-ZIAGYGMSSA-N 1 2 278.396 1.522 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC001030713892 726884009 /nfs/dbraw/zinc/88/40/09/726884009.db2.gz PHKSLXDSXURSSD-UHFFFAOYSA-N 1 2 285.351 1.256 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CCC2CCCC2)C1 ZINC000885508793 726891041 /nfs/dbraw/zinc/89/10/41/726891041.db2.gz LLWNSEMJQXZGBJ-OAHLLOKOSA-N 1 2 298.452 1.584 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCC2CCCC2)C1 ZINC000885508793 726891043 /nfs/dbraw/zinc/89/10/43/726891043.db2.gz LLWNSEMJQXZGBJ-OAHLLOKOSA-N 1 2 298.452 1.584 20 30 CDEDLO Cc1ccc(C#N)cc1N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000813359817 726898612 /nfs/dbraw/zinc/89/86/12/726898612.db2.gz SRLJKCPPAAICAF-LBPRGKRZSA-N 1 2 295.302 1.257 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001010059739 726924123 /nfs/dbraw/zinc/92/41/23/726924123.db2.gz NNDNEHYFGWKYJI-JKSUJKDBSA-N 1 2 299.374 1.428 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001010059739 726924126 /nfs/dbraw/zinc/92/41/26/726924126.db2.gz NNDNEHYFGWKYJI-JKSUJKDBSA-N 1 2 299.374 1.428 20 30 CDEDLO C#Cc1cnc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)nc1 ZINC000828046937 726937924 /nfs/dbraw/zinc/93/79/24/726937924.db2.gz DOXRMLBPNPHAJN-CQSZACIVSA-N 1 2 266.304 1.511 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ncoc1C)O2 ZINC001053576002 726941473 /nfs/dbraw/zinc/94/14/73/726941473.db2.gz LAUMBMWBVMHDFI-GFCCVEGCSA-N 1 2 291.351 1.132 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(Cl)cncc1Cl ZINC001038670422 726952721 /nfs/dbraw/zinc/95/27/21/726952721.db2.gz TWLCRFKMNSOIIR-VIFPVBQESA-N 1 2 298.173 1.826 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(Cl)cncc1Cl ZINC001038670422 726952725 /nfs/dbraw/zinc/95/27/25/726952725.db2.gz TWLCRFKMNSOIIR-VIFPVBQESA-N 1 2 298.173 1.826 20 30 CDEDLO C#Cc1ccccc1CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000810300595 726955177 /nfs/dbraw/zinc/95/51/77/726955177.db2.gz ZJPDFUHOQDZCSM-AWEZNQCLSA-N 1 2 286.375 1.047 20 30 CDEDLO C#Cc1ccccc1CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000810300595 726955180 /nfs/dbraw/zinc/95/51/80/726955180.db2.gz ZJPDFUHOQDZCSM-AWEZNQCLSA-N 1 2 286.375 1.047 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2cc(C3CC3)nn2C)nn1 ZINC000922947809 726955561 /nfs/dbraw/zinc/95/55/61/726955561.db2.gz QISUSVXYWMRCSG-UHFFFAOYSA-N 1 2 286.383 1.755 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)CCC1CC1 ZINC000884326303 726959645 /nfs/dbraw/zinc/95/96/45/726959645.db2.gz PEPDJUNWGKVTQU-JQWIXIFHSA-N 1 2 268.357 1.128 20 30 CDEDLO C=C1CC(C)(C(=O)N2CC[C@H]3OCC[N@@H+](CC)[C@@H]3C2)C1 ZINC001074334051 726969061 /nfs/dbraw/zinc/96/90/61/726969061.db2.gz LTGKWWOFCDOGMB-ZIAGYGMSSA-N 1 2 278.396 1.664 20 30 CDEDLO C=C1CC(C)(C(=O)N2CC[C@H]3OCC[N@H+](CC)[C@@H]3C2)C1 ZINC001074334051 726969065 /nfs/dbraw/zinc/96/90/65/726969065.db2.gz LTGKWWOFCDOGMB-ZIAGYGMSSA-N 1 2 278.396 1.664 20 30 CDEDLO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cn(C)nn1 ZINC000715940553 726983241 /nfs/dbraw/zinc/98/32/41/726983241.db2.gz DVWRNBMVTSUAGL-VIFPVBQESA-N 1 2 259.288 1.677 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cncnc2)[C@@H]1C ZINC000993268085 726997154 /nfs/dbraw/zinc/99/71/54/726997154.db2.gz RMXNDRHTDLQWSB-WCQYABFASA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cncnc2)[C@@H]1C ZINC000993268085 726997160 /nfs/dbraw/zinc/99/71/60/726997160.db2.gz RMXNDRHTDLQWSB-WCQYABFASA-N 1 2 294.786 1.812 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)o1 ZINC001038840431 727001379 /nfs/dbraw/zinc/00/13/79/727001379.db2.gz JJIZAMABJZWMBA-SNVBAGLBSA-N 1 2 250.298 1.278 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)o1 ZINC001038840431 727001380 /nfs/dbraw/zinc/00/13/80/727001380.db2.gz JJIZAMABJZWMBA-SNVBAGLBSA-N 1 2 250.298 1.278 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc3n[nH]nc32)C1 ZINC001033845547 727002806 /nfs/dbraw/zinc/00/28/06/727002806.db2.gz YOGTZNQVTASLSO-GFCCVEGCSA-N 1 2 297.362 1.128 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc3n[nH]nc32)C1 ZINC001033845547 727002811 /nfs/dbraw/zinc/00/28/11/727002811.db2.gz YOGTZNQVTASLSO-GFCCVEGCSA-N 1 2 297.362 1.128 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc3nn[nH]c32)C1 ZINC001033845547 727002814 /nfs/dbraw/zinc/00/28/14/727002814.db2.gz YOGTZNQVTASLSO-GFCCVEGCSA-N 1 2 297.362 1.128 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc3nn[nH]c32)C1 ZINC001033845547 727002818 /nfs/dbraw/zinc/00/28/18/727002818.db2.gz YOGTZNQVTASLSO-GFCCVEGCSA-N 1 2 297.362 1.128 20 30 CDEDLO C[C@@H]1CCCCN1C(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000079862384 727019730 /nfs/dbraw/zinc/01/97/30/727019730.db2.gz GLSKYQVBKPUZMR-CYBMUJFWSA-N 1 2 289.379 1.919 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1conc1CC ZINC001038671945 727035388 /nfs/dbraw/zinc/03/53/88/727035388.db2.gz XSGLDCDBFPJSOV-LLVKDONJSA-N 1 2 261.325 1.064 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1conc1CC ZINC001038671945 727035391 /nfs/dbraw/zinc/03/53/91/727035391.db2.gz XSGLDCDBFPJSOV-LLVKDONJSA-N 1 2 261.325 1.064 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(F)c1 ZINC001017467177 727043704 /nfs/dbraw/zinc/04/37/04/727043704.db2.gz MCUMRFHFKUQQIH-OKILXGFUSA-N 1 2 275.327 1.696 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(F)c1 ZINC001017467177 727043706 /nfs/dbraw/zinc/04/37/06/727043706.db2.gz MCUMRFHFKUQQIH-OKILXGFUSA-N 1 2 275.327 1.696 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2n[nH]c(CC)c2Cl)C1 ZINC001042955556 727044661 /nfs/dbraw/zinc/04/46/61/727044661.db2.gz UQQNJJANMVZJNU-UHFFFAOYSA-N 1 2 294.786 1.405 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C(\C)c2cccs2)CC1 ZINC000857050435 727046784 /nfs/dbraw/zinc/04/67/84/727046784.db2.gz LTXCTJAEJBIUDD-OUKQBFOZSA-N 1 2 274.389 1.929 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2sccc2COC)C1 ZINC001031254705 727051024 /nfs/dbraw/zinc/05/10/24/727051024.db2.gz YGJFTPCEGYIWTB-UHFFFAOYSA-N 1 2 280.393 1.885 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(F)ccc(F)c1OC ZINC001038592418 727054349 /nfs/dbraw/zinc/05/43/49/727054349.db2.gz LAIVLFHORWLCLF-JTQLQIEISA-N 1 2 294.301 1.411 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(F)ccc(F)c1OC ZINC001038592418 727054351 /nfs/dbraw/zinc/05/43/51/727054351.db2.gz LAIVLFHORWLCLF-JTQLQIEISA-N 1 2 294.301 1.411 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000884068487 727069006 /nfs/dbraw/zinc/06/90/06/727069006.db2.gz SJQQRRDPLLJKLG-JSGCOSHPSA-N 1 2 290.363 1.619 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)on2)C1 ZINC001032890675 727078480 /nfs/dbraw/zinc/07/84/80/727078480.db2.gz KLWOFBJLFKKNGM-LLVKDONJSA-N 1 2 283.759 1.882 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C)on2)C1 ZINC001032890675 727078479 /nfs/dbraw/zinc/07/84/79/727078479.db2.gz KLWOFBJLFKKNGM-LLVKDONJSA-N 1 2 283.759 1.882 20 30 CDEDLO CCN1CC[C@H](O[NH+]=C(N)c2ccc(F)cc2)C1=O ZINC000853646776 727083763 /nfs/dbraw/zinc/08/37/63/727083763.db2.gz ZDGVHPRUAXIHOK-NSHDSACASA-N 1 2 265.288 1.083 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCOC1 ZINC001027777116 727094010 /nfs/dbraw/zinc/09/40/10/727094010.db2.gz DJDDIUBOEGDGFS-OLZOCXBDSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCOC1 ZINC001027777116 727094013 /nfs/dbraw/zinc/09/40/13/727094013.db2.gz DJDDIUBOEGDGFS-OLZOCXBDSA-N 1 2 286.803 1.746 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1-c1ccccc1 ZINC001038573524 727104476 /nfs/dbraw/zinc/10/44/76/727104476.db2.gz ZICFZIAHMDLTJU-AWEZNQCLSA-N 1 2 294.358 1.514 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1-c1ccccc1 ZINC001038573524 727104482 /nfs/dbraw/zinc/10/44/82/727104482.db2.gz ZICFZIAHMDLTJU-AWEZNQCLSA-N 1 2 294.358 1.514 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc(OC)c2OC)C1 ZINC001031304213 727110379 /nfs/dbraw/zinc/11/03/79/727110379.db2.gz CNPJHEVDOVHPOY-UHFFFAOYSA-N 1 2 290.363 1.694 20 30 CDEDLO C=C[C@@H](O)C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000854412144 727143648 /nfs/dbraw/zinc/14/36/48/727143648.db2.gz JDBPHBMOZJXNFB-CYBMUJFWSA-N 1 2 295.408 1.154 20 30 CDEDLO COCC#CCO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000775681682 727206001 /nfs/dbraw/zinc/20/60/01/727206001.db2.gz RAKZRSBVJKJCAR-UHFFFAOYSA-N 1 2 250.273 1.421 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCc3cc(C)ccc3O2)C1 ZINC001030679731 727229237 /nfs/dbraw/zinc/22/92/37/727229237.db2.gz OPKADEBGGBFLCS-KRWDZBQOSA-N 1 2 298.386 1.512 20 30 CDEDLO Cc1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccc(C#N)c1)C2 ZINC000931314102 727265798 /nfs/dbraw/zinc/26/57/98/727265798.db2.gz UZNQEXZKEZUXHE-UHFFFAOYSA-N 1 2 266.304 1.878 20 30 CDEDLO Cc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccc(C#N)c1)C2 ZINC000931314102 727265800 /nfs/dbraw/zinc/26/58/00/727265800.db2.gz UZNQEXZKEZUXHE-UHFFFAOYSA-N 1 2 266.304 1.878 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CCOC)c1ccco1 ZINC000780752659 727291618 /nfs/dbraw/zinc/29/16/18/727291618.db2.gz PMMBHAHXIWTSFR-KBPBESRZSA-N 1 2 290.363 1.571 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CCOC)c1ccco1 ZINC000780752659 727291619 /nfs/dbraw/zinc/29/16/19/727291619.db2.gz PMMBHAHXIWTSFR-KBPBESRZSA-N 1 2 290.363 1.571 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](F)C1 ZINC001017854839 727317030 /nfs/dbraw/zinc/31/70/30/727317030.db2.gz DOWVKVWRSLEKCG-LJISPDSOSA-N 1 2 278.371 1.823 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](F)C1 ZINC001017854839 727317034 /nfs/dbraw/zinc/31/70/34/727317034.db2.gz DOWVKVWRSLEKCG-LJISPDSOSA-N 1 2 278.371 1.823 20 30 CDEDLO C=CCN1CCN(C[N@H+]2C[C@@H](CC)OC[C@H]2CC)C1=O ZINC000844724060 727327424 /nfs/dbraw/zinc/32/74/24/727327424.db2.gz TXKYYKAGRMHTAV-ZIAGYGMSSA-N 1 2 281.400 1.757 20 30 CDEDLO C=CCN1CCN(C[N@@H+]2C[C@@H](CC)OC[C@H]2CC)C1=O ZINC000844724060 727327425 /nfs/dbraw/zinc/32/74/25/727327425.db2.gz TXKYYKAGRMHTAV-ZIAGYGMSSA-N 1 2 281.400 1.757 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C(F)F)n1 ZINC001017584515 727339400 /nfs/dbraw/zinc/33/94/00/727339400.db2.gz NRFMJRWOCOKIKV-PHIMTYICSA-N 1 2 294.305 1.200 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C(F)F)n1 ZINC001017584515 727339403 /nfs/dbraw/zinc/33/94/03/727339403.db2.gz NRFMJRWOCOKIKV-PHIMTYICSA-N 1 2 294.305 1.200 20 30 CDEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NC2(C#N)CC2)C1 ZINC000886399224 727359743 /nfs/dbraw/zinc/35/97/43/727359743.db2.gz LTHFDINFIJHBNN-UHFFFAOYSA-N 1 2 291.376 1.009 20 30 CDEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NC2(C#N)CC2)C1 ZINC000886399224 727359745 /nfs/dbraw/zinc/35/97/45/727359745.db2.gz LTHFDINFIJHBNN-UHFFFAOYSA-N 1 2 291.376 1.009 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CC)C[C@@H]21 ZINC001074119864 727363572 /nfs/dbraw/zinc/36/35/72/727363572.db2.gz WBMLRFIKJSKCOM-STQMWFEESA-N 1 2 252.358 1.274 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CC)C[C@@H]21 ZINC001074119864 727363573 /nfs/dbraw/zinc/36/35/73/727363573.db2.gz WBMLRFIKJSKCOM-STQMWFEESA-N 1 2 252.358 1.274 20 30 CDEDLO NC(CCO)=[NH+]OCc1nnc(-c2ccccc2Cl)o1 ZINC000121334359 727366126 /nfs/dbraw/zinc/36/61/26/727366126.db2.gz HSTHAXXQAYCVFG-UHFFFAOYSA-N 1 2 296.714 1.561 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(OC(C)C)c1 ZINC001038907736 727377439 /nfs/dbraw/zinc/37/74/39/727377439.db2.gz FDZGKBMUSGDLCL-CQSZACIVSA-N 1 2 287.363 1.306 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc(OC(C)C)c1 ZINC001038907736 727377440 /nfs/dbraw/zinc/37/74/40/727377440.db2.gz FDZGKBMUSGDLCL-CQSZACIVSA-N 1 2 287.363 1.306 20 30 CDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1C[NH+](CCOC)C1 ZINC001044025683 727395060 /nfs/dbraw/zinc/39/50/60/727395060.db2.gz CTLHBYVNCUATET-GJZGRUSLSA-N 1 2 296.411 1.147 20 30 CDEDLO C#CC[C@H]1CC[N@@H+](CC(=O)Nc2nnc(C(C)C)s2)C1 ZINC000886362517 727395257 /nfs/dbraw/zinc/39/52/57/727395257.db2.gz AUEMTYPJCCIDSA-NSHDSACASA-N 1 2 292.408 1.945 20 30 CDEDLO C#CC[C@H]1CC[N@H+](CC(=O)Nc2nnc(C(C)C)s2)C1 ZINC000886362517 727395259 /nfs/dbraw/zinc/39/52/59/727395259.db2.gz AUEMTYPJCCIDSA-NSHDSACASA-N 1 2 292.408 1.945 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2nc(C)c[nH]2)C1 ZINC001046687964 727395576 /nfs/dbraw/zinc/39/55/76/727395576.db2.gz LSHFACPDKNZCTC-ZDUSSCGKSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2nc(C)c[nH]2)C1 ZINC001046687964 727395577 /nfs/dbraw/zinc/39/55/77/727395577.db2.gz LSHFACPDKNZCTC-ZDUSSCGKSA-N 1 2 282.775 1.665 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1noc2c1CCCCC2 ZINC001038768554 727396172 /nfs/dbraw/zinc/39/61/72/727396172.db2.gz QFHSSIXAIZZWSC-LBPRGKRZSA-N 1 2 289.379 1.934 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1noc2c1CCCCC2 ZINC001038768554 727396174 /nfs/dbraw/zinc/39/61/74/727396174.db2.gz QFHSSIXAIZZWSC-LBPRGKRZSA-N 1 2 289.379 1.934 20 30 CDEDLO N#Cc1ccc(CN[NH+]=C2CCCc3nc(N)ncc32)cc1 ZINC000814880625 727397641 /nfs/dbraw/zinc/39/76/41/727397641.db2.gz BBNFPPPTNSFQJS-UHFFFAOYSA-N 1 2 292.346 1.761 20 30 CDEDLO CCOC(=O)c1ccc(C[NH+]2CCC(C#N)CC2)[nH]1 ZINC000876652630 727400828 /nfs/dbraw/zinc/40/08/28/727400828.db2.gz FUVLAWSWFFWOTI-UHFFFAOYSA-N 1 2 261.325 1.927 20 30 CDEDLO CCOC(=O)c1[nH]c(C)c(C=NNc2[nH+]ccn2C)c1C ZINC000863109679 727402458 /nfs/dbraw/zinc/40/24/58/727402458.db2.gz YJYDPBCJHMNIMH-UHFFFAOYSA-N 1 2 289.339 1.988 20 30 CDEDLO C#CCOc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000819439412 727411409 /nfs/dbraw/zinc/41/14/09/727411409.db2.gz SZQHYUFENIWXPP-OAHLLOKOSA-N 1 2 287.363 1.317 20 30 CDEDLO C#CCOc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000819439412 727411413 /nfs/dbraw/zinc/41/14/13/727411413.db2.gz SZQHYUFENIWXPP-OAHLLOKOSA-N 1 2 287.363 1.317 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[C@@H]1CCCO1 ZINC001017917912 727417730 /nfs/dbraw/zinc/41/77/30/727417730.db2.gz WLRUIUBQGXLTLL-KBXIAJHMSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[C@@H]1CCCO1 ZINC001017917912 727417731 /nfs/dbraw/zinc/41/77/31/727417731.db2.gz WLRUIUBQGXLTLL-KBXIAJHMSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(F)cc(C)cc1F ZINC001038502177 727420205 /nfs/dbraw/zinc/42/02/05/727420205.db2.gz QUHGLUFARGXCLI-NSHDSACASA-N 1 2 278.302 1.711 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(F)cc(C)cc1F ZINC001038502177 727420208 /nfs/dbraw/zinc/42/02/08/727420208.db2.gz QUHGLUFARGXCLI-NSHDSACASA-N 1 2 278.302 1.711 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csnc1C ZINC001032361437 727420349 /nfs/dbraw/zinc/42/03/49/727420349.db2.gz NIZVJYSNQWJYHO-RYUDHWBXSA-N 1 2 275.377 1.374 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csnc1C ZINC001032361437 727420351 /nfs/dbraw/zinc/42/03/51/727420351.db2.gz NIZVJYSNQWJYHO-RYUDHWBXSA-N 1 2 275.377 1.374 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cn3c(cccc3C)n2)C1 ZINC001031371464 727423045 /nfs/dbraw/zinc/42/30/45/727423045.db2.gz YXSHKQUGOWWNOA-UHFFFAOYSA-N 1 2 282.347 1.080 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2nccnc2N)C1 ZINC001046203796 727430243 /nfs/dbraw/zinc/43/02/43/727430243.db2.gz AOSRYLNYZAMUAK-CYBMUJFWSA-N 1 2 295.774 1.006 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2nccnc2N)C1 ZINC001046203796 727430244 /nfs/dbraw/zinc/43/02/44/727430244.db2.gz AOSRYLNYZAMUAK-CYBMUJFWSA-N 1 2 295.774 1.006 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cc[nH]n2)[C@H]1C ZINC000993143998 727434981 /nfs/dbraw/zinc/43/49/81/727434981.db2.gz ILRGBLXJPCECMG-DGCLKSJQSA-N 1 2 296.802 1.674 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cc[nH]n2)[C@H]1C ZINC000993143998 727434982 /nfs/dbraw/zinc/43/49/82/727434982.db2.gz ILRGBLXJPCECMG-DGCLKSJQSA-N 1 2 296.802 1.674 20 30 CDEDLO C=C(Br)CN1CC[N@H+](CCO)C(C)(C)C1 ZINC000781961525 727438646 /nfs/dbraw/zinc/43/86/46/727438646.db2.gz ANPQNDGYLAHRDB-UHFFFAOYSA-N 1 2 277.206 1.284 20 30 CDEDLO C=C(Br)CN1CC[N@@H+](CCO)C(C)(C)C1 ZINC000781961525 727438647 /nfs/dbraw/zinc/43/86/47/727438647.db2.gz ANPQNDGYLAHRDB-UHFFFAOYSA-N 1 2 277.206 1.284 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cnc1Cl ZINC000843425817 727446363 /nfs/dbraw/zinc/44/63/63/727446363.db2.gz WYRVGEIXCMQRRW-ZDUSSCGKSA-N 1 2 265.744 1.894 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@@](O)(CC#N)C2)cnc1Cl ZINC000843425817 727446364 /nfs/dbraw/zinc/44/63/64/727446364.db2.gz WYRVGEIXCMQRRW-ZDUSSCGKSA-N 1 2 265.744 1.894 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1Cc2c(cccc2C)O1 ZINC001038921597 727466952 /nfs/dbraw/zinc/46/69/52/727466952.db2.gz SUEOKAXBLQZBCR-XJKSGUPXSA-N 1 2 284.359 1.122 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1Cc2c(cccc2C)O1 ZINC001038921597 727466954 /nfs/dbraw/zinc/46/69/54/727466954.db2.gz SUEOKAXBLQZBCR-XJKSGUPXSA-N 1 2 284.359 1.122 20 30 CDEDLO COC[C@@H](C)NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000777903403 727793679 /nfs/dbraw/zinc/79/36/79/727793679.db2.gz ZSHOBJOMIOUFCN-GFCCVEGCSA-N 1 2 258.325 1.831 20 30 CDEDLO Cc1cc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)no1 ZINC000971218678 727805148 /nfs/dbraw/zinc/80/51/48/727805148.db2.gz QFCAWRWJVJOYON-ZWNOBZJWSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1cc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)no1 ZINC000971218678 727805150 /nfs/dbraw/zinc/80/51/50/727805150.db2.gz QFCAWRWJVJOYON-ZWNOBZJWSA-N 1 2 276.340 1.175 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001035500947 727830425 /nfs/dbraw/zinc/83/04/25/727830425.db2.gz SEZGPGYCIDFBSY-IIAWOOMASA-N 1 2 278.396 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001035500947 727830426 /nfs/dbraw/zinc/83/04/26/727830426.db2.gz SEZGPGYCIDFBSY-IIAWOOMASA-N 1 2 278.396 1.570 20 30 CDEDLO C[C@@H]1CCN(C(=O)NCCC#N)C[C@H]1n1cc[nH+]c1 ZINC000336363970 727831654 /nfs/dbraw/zinc/83/16/54/727831654.db2.gz ITEUMKKCJROMAS-VXGBXAGGSA-N 1 2 261.329 1.389 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)CC)C1 ZINC001032845077 727851952 /nfs/dbraw/zinc/85/19/52/727851952.db2.gz JKTIHFIDUBMSOW-JTQLQIEISA-N 1 2 275.190 1.838 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)CC)C1 ZINC001032845077 727851955 /nfs/dbraw/zinc/85/19/55/727851955.db2.gz JKTIHFIDUBMSOW-JTQLQIEISA-N 1 2 275.190 1.838 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1cccc(F)c1 ZINC001032791651 727872556 /nfs/dbraw/zinc/87/25/56/727872556.db2.gz CNKKNDNXCCNRQP-RCBQFDQVSA-N 1 2 286.350 1.848 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1cccc(F)c1 ZINC001032791651 727872558 /nfs/dbraw/zinc/87/25/58/727872558.db2.gz CNKKNDNXCCNRQP-RCBQFDQVSA-N 1 2 286.350 1.848 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)C[C@@](C)(CC)C1=O)[C@H](C)COC ZINC000853535707 727879376 /nfs/dbraw/zinc/87/93/76/727879376.db2.gz ZZBKLBXRKQYWSP-IUODEOHRSA-N 1 2 282.384 1.642 20 30 CDEDLO C=CC[N@H+](CN1C(=O)C[C@@](C)(CC)C1=O)[C@H](C)COC ZINC000853535707 727879377 /nfs/dbraw/zinc/87/93/77/727879377.db2.gz ZZBKLBXRKQYWSP-IUODEOHRSA-N 1 2 282.384 1.642 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCC[C@H](F)C2)C1 ZINC001030299598 727920999 /nfs/dbraw/zinc/92/09/99/727920999.db2.gz WJVRRIROTCXLPZ-RYUDHWBXSA-N 1 2 254.349 1.891 20 30 CDEDLO C#CC[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)C(=O)OC ZINC000839169279 727936443 /nfs/dbraw/zinc/93/64/43/727936443.db2.gz QVSUXMQNWMYPKH-CHWSQXEVSA-N 1 2 265.353 1.490 20 30 CDEDLO Cc1[nH+]cc(C=NNC[C@@H]2COc3ccccc3O2)n1C ZINC000863198546 727966289 /nfs/dbraw/zinc/96/62/89/727966289.db2.gz PHCSYRMZCXSGPJ-CYBMUJFWSA-N 1 2 286.335 1.492 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC[C@H](F)C1)CCO2 ZINC001053397146 727973989 /nfs/dbraw/zinc/97/39/89/727973989.db2.gz MHCPQNANUZBTRX-KBPBESRZSA-N 1 2 296.386 1.614 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](OC)C1 ZINC001017690720 728044126 /nfs/dbraw/zinc/04/41/26/728044126.db2.gz QHADSYKYGUZWPZ-WCVJEAGWSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](OC)C1 ZINC001017690720 728044129 /nfs/dbraw/zinc/04/41/29/728044129.db2.gz QHADSYKYGUZWPZ-WCVJEAGWSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(-n2cccc2)nc1 ZINC001038822288 728044946 /nfs/dbraw/zinc/04/49/46/728044946.db2.gz ZCYANAWXJVERKT-HNNXBMFYSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-n2cccc2)nc1 ZINC001038822288 728044949 /nfs/dbraw/zinc/04/49/49/728044949.db2.gz ZCYANAWXJVERKT-HNNXBMFYSA-N 1 2 294.358 1.310 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(C)ccc1OC ZINC000884047525 728057296 /nfs/dbraw/zinc/05/72/96/728057296.db2.gz YPILYWFKVODYBS-NSHDSACASA-N 1 2 292.335 1.389 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnoc2C(C)C)C1 ZINC001009071518 728068523 /nfs/dbraw/zinc/06/85/23/728068523.db2.gz FBRQOOUNBLQUOX-LBPRGKRZSA-N 1 2 275.352 1.625 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnoc2C(C)C)C1 ZINC001009071518 728068527 /nfs/dbraw/zinc/06/85/27/728068527.db2.gz FBRQOOUNBLQUOX-LBPRGKRZSA-N 1 2 275.352 1.625 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@]1(C)CC ZINC001018129976 728080467 /nfs/dbraw/zinc/08/04/67/728080467.db2.gz OOFQCNZNQVYHLD-FQLMCAECSA-N 1 2 260.381 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@]1(C)CC ZINC001018129976 728080469 /nfs/dbraw/zinc/08/04/69/728080469.db2.gz OOFQCNZNQVYHLD-FQLMCAECSA-N 1 2 260.381 1.731 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCCO2)C1 ZINC001010253188 728081111 /nfs/dbraw/zinc/08/11/11/728081111.db2.gz XPMLLBPDAJSAME-NWDGAFQWSA-N 1 2 272.776 1.499 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCCO2)C1 ZINC001010253188 728081115 /nfs/dbraw/zinc/08/11/15/728081115.db2.gz XPMLLBPDAJSAME-NWDGAFQWSA-N 1 2 272.776 1.499 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c(C)nn(C)c2C)C1 ZINC001043498145 728098332 /nfs/dbraw/zinc/09/83/32/728098332.db2.gz MOGBSTIGVGIXHP-UHFFFAOYSA-N 1 2 276.384 1.369 20 30 CDEDLO Cn1nncc1N[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000814982639 728134056 /nfs/dbraw/zinc/13/40/56/728134056.db2.gz IZZMFHFYGPZIOD-UHFFFAOYSA-N 1 2 286.339 1.098 20 30 CDEDLO Cc1nc(N2CC[C@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)cc[nH+]1 ZINC001064606577 728141958 /nfs/dbraw/zinc/14/19/58/728141958.db2.gz OMRUCJRISUWDGG-WBMJQRKESA-N 1 2 299.378 1.374 20 30 CDEDLO CC1(C)OCC(CO)([NH2+]Cc2ccc(F)cc2C#N)CO1 ZINC000812838582 728151349 /nfs/dbraw/zinc/15/13/49/728151349.db2.gz RLQOMOAOUATRJP-UHFFFAOYSA-N 1 2 294.326 1.301 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CCCCC1 ZINC001032490597 728179352 /nfs/dbraw/zinc/17/93/52/728179352.db2.gz WVAFHHOUMQWJBJ-KBPBESRZSA-N 1 2 276.380 1.254 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CCCCC1 ZINC001032490597 728179362 /nfs/dbraw/zinc/17/93/62/728179362.db2.gz WVAFHHOUMQWJBJ-KBPBESRZSA-N 1 2 276.380 1.254 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cncnc1C(C)C ZINC001039017443 728192799 /nfs/dbraw/zinc/19/27/99/728192799.db2.gz GZJQFAARUCOZCA-GFCCVEGCSA-N 1 2 272.352 1.037 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncnc1C(C)C ZINC001039017443 728192802 /nfs/dbraw/zinc/19/28/02/728192802.db2.gz GZJQFAARUCOZCA-GFCCVEGCSA-N 1 2 272.352 1.037 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@](C)(O)C(F)F)c1 ZINC000885958035 728211268 /nfs/dbraw/zinc/21/12/68/728211268.db2.gz CFHUBXXQLVOXEQ-OAHLLOKOSA-N 1 2 296.317 1.554 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@](C)(O)C(F)F)c1 ZINC000885958035 728211274 /nfs/dbraw/zinc/21/12/74/728211274.db2.gz CFHUBXXQLVOXEQ-OAHLLOKOSA-N 1 2 296.317 1.554 20 30 CDEDLO C=CC[N@H+]1CCC[C@H](NC(=O)c2cnns2)[C@H]1C ZINC000993100192 728212011 /nfs/dbraw/zinc/21/20/11/728212011.db2.gz YQZCLTIPWZZCSD-ZJUUUORDSA-N 1 2 266.370 1.307 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cnns2)[C@H]1C ZINC000993100192 728212017 /nfs/dbraw/zinc/21/20/17/728212017.db2.gz YQZCLTIPWZZCSD-ZJUUUORDSA-N 1 2 266.370 1.307 20 30 CDEDLO C=CCC[NH+]1CC(N(C)C(=O)c2cc(OCC)no2)C1 ZINC001043364158 728224513 /nfs/dbraw/zinc/22/45/13/728224513.db2.gz SFAPSQGZQWQRKY-UHFFFAOYSA-N 1 2 279.340 1.406 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(F)s1 ZINC001039071546 728232945 /nfs/dbraw/zinc/23/29/45/728232945.db2.gz KTFPRULJVFORBS-SECBINFHSA-N 1 2 254.330 1.877 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(F)s1 ZINC001039071546 728232948 /nfs/dbraw/zinc/23/29/48/728232948.db2.gz KTFPRULJVFORBS-SECBINFHSA-N 1 2 254.330 1.877 20 30 CDEDLO C=CC[N@H+]1CCC[C@H](NC(=O)c2snnc2C)C1 ZINC001006700112 728302136 /nfs/dbraw/zinc/30/21/36/728302136.db2.gz XSTXIRSBUCHJGE-JTQLQIEISA-N 1 2 266.370 1.227 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)c2snnc2C)C1 ZINC001006700112 728302137 /nfs/dbraw/zinc/30/21/37/728302137.db2.gz XSTXIRSBUCHJGE-JTQLQIEISA-N 1 2 266.370 1.227 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001050053785 728303575 /nfs/dbraw/zinc/30/35/75/728303575.db2.gz VMMGXMRAPIVGCS-HBNTYKKESA-N 1 2 294.292 1.996 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001050053785 728303583 /nfs/dbraw/zinc/30/35/83/728303583.db2.gz VMMGXMRAPIVGCS-HBNTYKKESA-N 1 2 294.292 1.996 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)Cc1cccc(OCC#N)c1 ZINC000291485709 728306370 /nfs/dbraw/zinc/30/63/70/728306370.db2.gz QOQONTHNHFKMOU-UHFFFAOYSA-N 1 2 284.319 1.181 20 30 CDEDLO CCOC(CO[NH+]=C(N)c1ccc(OC)cc1)OCC ZINC000188953747 728314993 /nfs/dbraw/zinc/31/49/93/728314993.db2.gz QXAQLGLAECCJFU-UHFFFAOYSA-N 1 2 282.340 1.731 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)Cc1ccoc1 ZINC000884427394 728326737 /nfs/dbraw/zinc/32/67/37/728326737.db2.gz USYBRVVDRLYCRO-LBPRGKRZSA-N 1 2 280.324 1.075 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccnc(C)c2)C1 ZINC001015875396 728327666 /nfs/dbraw/zinc/32/76/66/728327666.db2.gz SAOWVANNIJDHNJ-ZDUSSCGKSA-N 1 2 279.771 1.947 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccnc(C)c2)C1 ZINC001015875396 728327668 /nfs/dbraw/zinc/32/76/68/728327668.db2.gz SAOWVANNIJDHNJ-ZDUSSCGKSA-N 1 2 279.771 1.947 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)on1 ZINC001010671294 728351800 /nfs/dbraw/zinc/35/18/00/728351800.db2.gz SLMOKTXSDMMRMS-LBPRGKRZSA-N 1 2 299.334 1.187 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)on1 ZINC001010671294 728351802 /nfs/dbraw/zinc/35/18/02/728351802.db2.gz SLMOKTXSDMMRMS-LBPRGKRZSA-N 1 2 299.334 1.187 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1scnc1C(F)F ZINC001028023130 728362711 /nfs/dbraw/zinc/36/27/11/728362711.db2.gz QTVOZGOHXNYHNR-VIFPVBQESA-N 1 2 299.346 1.908 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1scnc1C(F)F ZINC001028023130 728362712 /nfs/dbraw/zinc/36/27/12/728362712.db2.gz QTVOZGOHXNYHNR-VIFPVBQESA-N 1 2 299.346 1.908 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCCC1(F)F ZINC001038551562 728377733 /nfs/dbraw/zinc/37/77/33/728377733.db2.gz AFSWAHUCXHSXQM-NEPJUHHUSA-N 1 2 270.323 1.636 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCCC1(F)F ZINC001038551562 728377736 /nfs/dbraw/zinc/37/77/36/728377736.db2.gz AFSWAHUCXHSXQM-NEPJUHHUSA-N 1 2 270.323 1.636 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@@H]3F)CC2)cc1 ZINC001646931867 1168264866 /nfs/dbraw/zinc/26/48/66/1168264866.db2.gz SSNKWIRSSKUFAT-CABCVRRESA-N 1 2 287.338 1.560 20 30 CDEDLO CCOC(=O)[C@@H]([NH2+]C1CCC(CC#N)CC1)[C@@H](C)O ZINC001173327528 912427977 /nfs/dbraw/zinc/42/79/77/912427977.db2.gz DUGUIALDAMDKAP-XVSSEFHLSA-N 1 2 268.357 1.361 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2scnc2Cl)[C@H]1C ZINC001089042633 912528632 /nfs/dbraw/zinc/52/86/32/912528632.db2.gz KQZPMPRAMBBEBZ-BDAKNGLRSA-N 1 2 283.784 1.622 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2scnc2Cl)[C@H]1C ZINC001089042633 912528641 /nfs/dbraw/zinc/52/86/41/912528641.db2.gz KQZPMPRAMBBEBZ-BDAKNGLRSA-N 1 2 283.784 1.622 20 30 CDEDLO N#Cc1cc[nH]c1C[NH+]1CCC(n2cnnc2)CC1 ZINC001233047789 912684213 /nfs/dbraw/zinc/68/42/13/912684213.db2.gz KXVHZONZPUJHRE-UHFFFAOYSA-N 1 2 256.313 1.315 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2nc(Cl)cs2)C1 ZINC001030843822 912878472 /nfs/dbraw/zinc/87/84/72/912878472.db2.gz CESPXZRXIDHNBZ-UHFFFAOYSA-N 1 2 271.773 1.787 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001031003143 913368911 /nfs/dbraw/zinc/36/89/11/913368911.db2.gz DNJHIIAANLFZHD-UHFFFAOYSA-N 1 2 280.730 1.916 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2noc3c2CCCC3)C1 ZINC001031002489 913368950 /nfs/dbraw/zinc/36/89/50/913368950.db2.gz HZRYCMJCOJCGGI-UHFFFAOYSA-N 1 2 275.352 1.544 20 30 CDEDLO C#CCOCCC(=O)N(C)C[C@H]1CC[N@@H+]1C/C=C\Cl ZINC001234246850 913408187 /nfs/dbraw/zinc/40/81/87/913408187.db2.gz TYPZDKVCMWDPMZ-LLPBQKLSSA-N 1 2 284.787 1.312 20 30 CDEDLO C#CCOCCC(=O)N(C)C[C@H]1CC[N@H+]1C/C=C\Cl ZINC001234246850 913408197 /nfs/dbraw/zinc/40/81/97/913408197.db2.gz TYPZDKVCMWDPMZ-LLPBQKLSSA-N 1 2 284.787 1.312 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2cc(F)ccc2OC)C1 ZINC001031130595 913705491 /nfs/dbraw/zinc/70/54/91/913705491.db2.gz ASHUHNFKYFWQFW-UHFFFAOYSA-N 1 2 290.338 1.201 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnns2)[C@@H]1C ZINC000993079297 913749247 /nfs/dbraw/zinc/74/92/47/913749247.db2.gz MMVYLHPYNZWRMG-WDEREUQCSA-N 1 2 278.381 1.144 20 30 CDEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cnns2)[C@@H]1C ZINC000993079297 913749256 /nfs/dbraw/zinc/74/92/56/913749256.db2.gz MMVYLHPYNZWRMG-WDEREUQCSA-N 1 2 278.381 1.144 20 30 CDEDLO N#Cc1cccc(N2CC[NH+](Cc3cccnn3)CC2)c1 ZINC001139973835 894340764 /nfs/dbraw/zinc/34/07/64/894340764.db2.gz LAZMJBOSJQTTBP-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO C#CC[NH+]1CCN(CCOC(=O)c2ccccc2)CC1 ZINC001209046724 894458552 /nfs/dbraw/zinc/45/85/52/894458552.db2.gz QCEOZEYWSJGXHY-UHFFFAOYSA-N 1 2 272.348 1.094 20 30 CDEDLO C[C@@H](CCNc1ccc(C#N)cn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001106427114 913918526 /nfs/dbraw/zinc/91/85/26/913918526.db2.gz YUGVZYQYDYDLQT-NSHDSACASA-N 1 2 298.350 1.226 20 30 CDEDLO Cn1cc(C[NH+]2CCN(c3cncnc3)CC2)cc1C#N ZINC001207108366 895576089 /nfs/dbraw/zinc/57/60/89/895576089.db2.gz AMINFYDYBONMJA-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO COc1nc(C)nc(NCc2cc[nH+]c(N)c2)c1C#N ZINC001167614208 897040748 /nfs/dbraw/zinc/04/07/48/897040748.db2.gz PMAOFQLLNYAOJH-UHFFFAOYSA-N 1 2 270.296 1.255 20 30 CDEDLO Cc1nc(NC[C@H](CC(C)C)NC(=O)[C@H](C)C#N)cc[nH+]1 ZINC001104934107 899682928 /nfs/dbraw/zinc/68/29/28/899682928.db2.gz OJRXOFVGVYTBRR-YPMHNXCESA-N 1 2 289.383 1.888 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)COC2 ZINC001038810813 900935095 /nfs/dbraw/zinc/93/50/95/900935095.db2.gz FAWRVGZEQZQGCQ-MRXNPFEDSA-N 1 2 284.359 1.544 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)COC2 ZINC001038810813 900935100 /nfs/dbraw/zinc/93/51/00/900935100.db2.gz FAWRVGZEQZQGCQ-MRXNPFEDSA-N 1 2 284.359 1.544 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(OC)cc1Cl ZINC001038825704 901051202 /nfs/dbraw/zinc/05/12/02/901051202.db2.gz HZKIONZWFYPZEE-NSHDSACASA-N 1 2 292.766 1.786 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OC)cc1Cl ZINC001038825704 901051210 /nfs/dbraw/zinc/05/12/10/901051210.db2.gz HZKIONZWFYPZEE-NSHDSACASA-N 1 2 292.766 1.786 20 30 CDEDLO C#CCCCC(=O)NCC[NH2+]Cc1nc2c(o1)CCCC2 ZINC001126344137 901957836 /nfs/dbraw/zinc/95/78/36/901957836.db2.gz OGGCAEMJMQNAOM-UHFFFAOYSA-N 1 2 289.379 1.563 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001031485542 914670772 /nfs/dbraw/zinc/67/07/72/914670772.db2.gz IALZGBXHXIDKPP-UHFFFAOYSA-N 1 2 297.362 1.257 20 30 CDEDLO C[N+](C)(C)C[C@@H](CC#N)Oc1nc(Cl)cc(=O)[nH]1 ZINC001225562923 902967528 /nfs/dbraw/zinc/96/75/28/902967528.db2.gz OLYBFKOJEFUZIM-MRVPVSSYSA-O 1 2 271.728 1.203 20 30 CDEDLO Cc1ncsc1C[NH+]1CC2(CN(C(=O)[C@H](C)C#N)C2)C1 ZINC001270507272 904688335 /nfs/dbraw/zinc/68/83/35/904688335.db2.gz IJZNHTBHKGYXFS-SNVBAGLBSA-N 1 2 290.392 1.255 20 30 CDEDLO N#CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc[nH]2)CCC1 ZINC001271111983 905656050 /nfs/dbraw/zinc/65/60/50/905656050.db2.gz KGVRBZNBRORUPS-GASCZTMLSA-N 1 2 298.390 1.884 20 30 CDEDLO N#CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc[nH]2)CCC1 ZINC001271111983 905656061 /nfs/dbraw/zinc/65/60/61/905656061.db2.gz KGVRBZNBRORUPS-GASCZTMLSA-N 1 2 298.390 1.884 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[NH2+]Cc1nn(C)cc1Cl ZINC001128246446 921226824 /nfs/dbraw/zinc/22/68/24/921226824.db2.gz ZITSXQRSSURSCQ-UHFFFAOYSA-N 1 2 298.818 1.882 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nc(CC(C)C)no1 ZINC001128405187 921295699 /nfs/dbraw/zinc/29/56/99/921295699.db2.gz SIYDEJCEVNUXKO-UHFFFAOYSA-N 1 2 294.399 1.830 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001089995199 921301045 /nfs/dbraw/zinc/30/10/45/921301045.db2.gz ZUVNIBWEKLUTDK-HOTGVXAUSA-N 1 2 299.374 1.020 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001089995199 921301048 /nfs/dbraw/zinc/30/10/48/921301048.db2.gz ZUVNIBWEKLUTDK-HOTGVXAUSA-N 1 2 299.374 1.020 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1c(C)n[nH]c1C ZINC001482648253 908115695 /nfs/dbraw/zinc/11/56/95/908115695.db2.gz AICKSATURHVYQT-UHFFFAOYSA-N 1 2 298.818 1.712 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1c(C)n[nH]c1C ZINC001482648253 908115701 /nfs/dbraw/zinc/11/57/01/908115701.db2.gz AICKSATURHVYQT-UHFFFAOYSA-N 1 2 298.818 1.712 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(C)cs2)[C@@H](O)C1 ZINC001083446475 908319851 /nfs/dbraw/zinc/31/98/51/908319851.db2.gz ZKOBUASZSVLZBE-MNOVXSKESA-N 1 2 266.366 1.017 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)cs2)[C@@H](O)C1 ZINC001083446475 908319865 /nfs/dbraw/zinc/31/98/65/908319865.db2.gz ZKOBUASZSVLZBE-MNOVXSKESA-N 1 2 266.366 1.017 20 30 CDEDLO Cc1cnc([C@H](C)[NH2+]CCNC(=O)C#CC(C)C)o1 ZINC001126815940 909298461 /nfs/dbraw/zinc/29/84/61/909298461.db2.gz QDZAJJANLMIFHS-LBPRGKRZSA-N 1 2 263.341 1.409 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ncoc2C)C1 ZINC001032948187 921512669 /nfs/dbraw/zinc/51/26/69/921512669.db2.gz LRKSKCQWURSBMI-NSHDSACASA-N 1 2 283.759 1.882 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ncoc2C)C1 ZINC001032948187 921512682 /nfs/dbraw/zinc/51/26/82/921512682.db2.gz LRKSKCQWURSBMI-NSHDSACASA-N 1 2 283.759 1.882 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093514750 909891413 /nfs/dbraw/zinc/89/14/13/909891413.db2.gz WTTBSZYOUWXOGB-NSHDSACASA-N 1 2 278.356 1.294 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cc[nH]c3)CC2)C1 ZINC001093537616 909930136 /nfs/dbraw/zinc/93/01/36/909930136.db2.gz DHSIMZBPHXYMPV-UHFFFAOYSA-N 1 2 289.379 1.506 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC2)C1 ZINC001076672472 909972783 /nfs/dbraw/zinc/97/27/83/909972783.db2.gz VQMBDPRYXLTNMX-HZPDHXFCSA-N 1 2 299.374 1.020 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC2)C1 ZINC001076672472 909972809 /nfs/dbraw/zinc/97/28/09/909972809.db2.gz VQMBDPRYXLTNMX-HZPDHXFCSA-N 1 2 299.374 1.020 20 30 CDEDLO C=C[C@@H]1C[C@]1([NH2+]C1C[C@@H]2C=C[C@H](C1)O2)C(=O)OCC ZINC001172234254 911476584 /nfs/dbraw/zinc/47/65/84/911476584.db2.gz GNGCRBNKUABPQW-ZWOWXGAWSA-N 1 2 263.337 1.570 20 30 CDEDLO CCOC(=O)[C@@H]([NH3+])Cc1cn([C@@H](C)CCCC#N)cn1 ZINC001172492497 911728962 /nfs/dbraw/zinc/72/89/62/911728962.db2.gz SEUYIEGEHLRQBJ-AAEUAGOBSA-N 1 2 278.356 1.571 20 30 CDEDLO C=CC[C@@H]([NH2+][C@@H]1CCC[C@H](C(=O)OC)C1)C(=O)OC ZINC001172598266 911766060 /nfs/dbraw/zinc/76/60/60/911766060.db2.gz BQXJODDMNFONTM-QJPTWQEYSA-N 1 2 269.341 1.426 20 30 CDEDLO CC(C)(C)OC(=O)C[NH+]1CCC(NC2(C#N)CC2)CC1 ZINC001172884013 912043120 /nfs/dbraw/zinc/04/31/20/912043120.db2.gz NRHHXVPWAAXGRV-UHFFFAOYSA-N 1 2 279.384 1.438 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2coc(C)n2)C1 ZINC001189926134 921727793 /nfs/dbraw/zinc/72/77/93/921727793.db2.gz LUWJKMAIILVBPQ-HNNXBMFYSA-N 1 2 289.379 1.819 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2coc(C)n2)C1 ZINC001189926134 921727801 /nfs/dbraw/zinc/72/78/01/921727801.db2.gz LUWJKMAIILVBPQ-HNNXBMFYSA-N 1 2 289.379 1.819 20 30 CDEDLO N#CCN(Cc1ccccc1)C(=O)CCc1[nH]cc[nH+]1 ZINC001177994491 915119178 /nfs/dbraw/zinc/11/91/78/915119178.db2.gz GCMSDFMKUQANHB-UHFFFAOYSA-N 1 2 268.320 1.895 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([NH2+]Cc2nnc(CC)o2)[C@@H]1C ZINC001178324785 915373386 /nfs/dbraw/zinc/37/33/86/915373386.db2.gz ZXKMMUIQGDTYOF-RYUDHWBXSA-N 1 2 292.383 1.677 20 30 CDEDLO Cc1[nH+]c[nH]c1CSCCNC(=O)[C@H](C)C#N ZINC001179900279 916039919 /nfs/dbraw/zinc/03/99/19/916039919.db2.gz GSZVRRDYLKRVHA-MRVPVSSYSA-N 1 2 252.343 1.227 20 30 CDEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(F)F)C2 ZINC001110233420 916081407 /nfs/dbraw/zinc/08/14/07/916081407.db2.gz JEUGWPMBTFVKCG-UTUOFQBUSA-N 1 2 286.322 1.013 20 30 CDEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(F)F)C2 ZINC001110233420 916081420 /nfs/dbraw/zinc/08/14/20/916081420.db2.gz JEUGWPMBTFVKCG-UTUOFQBUSA-N 1 2 286.322 1.013 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)Nc1cccc(OCC#N)c1 ZINC001649284874 1169169505 /nfs/dbraw/zinc/16/95/05/1169169505.db2.gz QERPBVYVZQIJOP-UHFFFAOYSA-N 1 2 284.319 1.894 20 30 CDEDLO C[NH+]1CC(NC(=O)C2CCN(c3ccccc3C#N)CC2)C1 ZINC001180506083 916424327 /nfs/dbraw/zinc/42/43/27/916424327.db2.gz LUVTZGDZTHETSQ-UHFFFAOYSA-N 1 2 298.390 1.205 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000828517328 936378480 /nfs/dbraw/zinc/37/84/80/936378480.db2.gz GSAZBZCAKCRHIH-HNNXBMFYSA-N 1 2 293.455 1.827 20 30 CDEDLO C[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)Nc1ccc(C#N)cn1 ZINC001097791861 936379051 /nfs/dbraw/zinc/37/90/51/936379051.db2.gz IHPRWKSKLYRHMB-NSHDSACASA-N 1 2 298.350 1.226 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nc(C)no2)C1 ZINC001181542764 917136214 /nfs/dbraw/zinc/13/62/14/917136214.db2.gz CNTYFKWUNSUQCZ-CMPLNLGQSA-N 1 2 278.356 1.596 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@H]1CCC)O2 ZINC001053658248 936416251 /nfs/dbraw/zinc/41/62/51/936416251.db2.gz UXNOGUDGMLIIFZ-RBSFLKMASA-N 1 2 292.423 1.958 20 30 CDEDLO C=CCN1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137837862 936419723 /nfs/dbraw/zinc/41/97/23/936419723.db2.gz XKMOLVSKXTYKQZ-UHFFFAOYSA-N 1 2 250.317 1.835 20 30 CDEDLO C=CC[NH+]1CCN(Cc2c(O)cccc2F)CC1 ZINC001137837862 936419725 /nfs/dbraw/zinc/41/97/25/936419725.db2.gz XKMOLVSKXTYKQZ-UHFFFAOYSA-N 1 2 250.317 1.835 20 30 CDEDLO N#C[C@H]1CC[C@H]([N@H+]2CCN(C3CCCC3)C(=O)C2)C1 ZINC001254669782 936440757 /nfs/dbraw/zinc/44/07/57/936440757.db2.gz VAJCAVSFLPMCNX-JSGCOSHPSA-N 1 2 261.369 1.765 20 30 CDEDLO N#C[C@H]1CC[C@H]([N@@H+]2CCN(C3CCCC3)C(=O)C2)C1 ZINC001254669782 936440761 /nfs/dbraw/zinc/44/07/61/936440761.db2.gz VAJCAVSFLPMCNX-JSGCOSHPSA-N 1 2 261.369 1.765 20 30 CDEDLO CC(C)C#CC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000830106586 936445066 /nfs/dbraw/zinc/44/50/66/936445066.db2.gz ISPMBGLCIDUMDM-KBPBESRZSA-N 1 2 259.353 1.952 20 30 CDEDLO C=CCOCCCC(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001125252775 918065746 /nfs/dbraw/zinc/06/57/46/918065746.db2.gz NCWVUBRSTANSOH-LLVKDONJSA-N 1 2 298.412 1.288 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2ccsc2)C1 ZINC001107713551 918665384 /nfs/dbraw/zinc/66/53/84/918665384.db2.gz RSWPUEADQJGBNG-OAHLLOKOSA-N 1 2 294.420 1.684 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2ccsc2)C1 ZINC001107713551 918665396 /nfs/dbraw/zinc/66/53/96/918665396.db2.gz RSWPUEADQJGBNG-OAHLLOKOSA-N 1 2 294.420 1.684 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)SC)C1 ZINC001107764153 918755596 /nfs/dbraw/zinc/75/55/96/918755596.db2.gz SDLJRFVENKMYSM-DGCLKSJQSA-N 1 2 272.414 1.131 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)SC)C1 ZINC001107764153 918755608 /nfs/dbraw/zinc/75/56/08/918755608.db2.gz SDLJRFVENKMYSM-DGCLKSJQSA-N 1 2 272.414 1.131 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)OCC2CC2)C1 ZINC001107794255 918782468 /nfs/dbraw/zinc/78/24/68/918782468.db2.gz YSDVDYOVVYSZQO-CJNGLKHVSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)OCC2CC2)C1 ZINC001107794255 918782482 /nfs/dbraw/zinc/78/24/82/918782482.db2.gz YSDVDYOVVYSZQO-CJNGLKHVSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1F ZINC001050795520 936564189 /nfs/dbraw/zinc/56/41/89/936564189.db2.gz VAJMSHMXVLSWGN-ZDUSSCGKSA-N 1 2 292.354 1.832 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1F ZINC001050795520 936564191 /nfs/dbraw/zinc/56/41/91/936564191.db2.gz VAJMSHMXVLSWGN-ZDUSSCGKSA-N 1 2 292.354 1.832 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccnn2[C@@H]2CCCCO2)CC1 ZINC001138782401 936566817 /nfs/dbraw/zinc/56/68/17/936566817.db2.gz KOJLNLHMYHRYDX-INIZCTEOSA-N 1 2 288.395 1.333 20 30 CDEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3(C)CCC3)C2)CC1 ZINC001052066886 936575949 /nfs/dbraw/zinc/57/59/49/936575949.db2.gz YQMOTPROMFXPMK-OAHLLOKOSA-N 1 2 289.423 1.028 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CCC)c1 ZINC001032657411 919688681 /nfs/dbraw/zinc/68/86/81/919688681.db2.gz KSZFHUQWPPHHIQ-GJZGRUSLSA-N 1 2 286.379 1.215 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CCC)c1 ZINC001032657411 919688692 /nfs/dbraw/zinc/68/86/92/919688692.db2.gz KSZFHUQWPPHHIQ-GJZGRUSLSA-N 1 2 286.379 1.215 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2nccn2c1 ZINC001032725863 919851480 /nfs/dbraw/zinc/85/14/80/919851480.db2.gz WZRIMVPGARMTDB-GJZGRUSLSA-N 1 2 294.358 1.256 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2nccn2c1 ZINC001032725863 919851487 /nfs/dbraw/zinc/85/14/87/919851487.db2.gz WZRIMVPGARMTDB-GJZGRUSLSA-N 1 2 294.358 1.256 20 30 CDEDLO CNc1nccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)n1 ZINC001140040635 936672095 /nfs/dbraw/zinc/67/20/95/936672095.db2.gz MLXFXFABNAGCSG-UHFFFAOYSA-N 1 2 279.347 1.948 20 30 CDEDLO CNc1nccc(C[N@H+]2CCc3ccc(C#N)cc3C2)n1 ZINC001140040635 936672097 /nfs/dbraw/zinc/67/20/97/936672097.db2.gz MLXFXFABNAGCSG-UHFFFAOYSA-N 1 2 279.347 1.948 20 30 CDEDLO CSc1ncc(C[N@@H+]2CCC[C@@H](C#N)CC2)c(N)n1 ZINC001140252674 936692284 /nfs/dbraw/zinc/69/22/84/936692284.db2.gz XKNWZRRFWNHPFL-SNVBAGLBSA-N 1 2 277.397 1.906 20 30 CDEDLO CSc1ncc(C[N@H+]2CCC[C@@H](C#N)CC2)c(N)n1 ZINC001140252674 936692285 /nfs/dbraw/zinc/69/22/85/936692285.db2.gz XKNWZRRFWNHPFL-SNVBAGLBSA-N 1 2 277.397 1.906 20 30 CDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ncc[nH]2)CC1 ZINC001004437127 921844031 /nfs/dbraw/zinc/84/40/31/921844031.db2.gz RWOWZRCVQRUELG-CYBMUJFWSA-N 1 2 287.367 1.250 20 30 CDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ncc[nH]2)CC1 ZINC001004437127 921844037 /nfs/dbraw/zinc/84/40/37/921844037.db2.gz RWOWZRCVQRUELG-CYBMUJFWSA-N 1 2 287.367 1.250 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCC3CC3)C[C@@H]21 ZINC001074196837 936735220 /nfs/dbraw/zinc/73/52/20/936735220.db2.gz PVSJBQYGBIJNDX-JKSUJKDBSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCC3CC3)C[C@@H]21 ZINC001074196837 936735222 /nfs/dbraw/zinc/73/52/22/936735222.db2.gz PVSJBQYGBIJNDX-JKSUJKDBSA-N 1 2 290.407 1.502 20 30 CDEDLO C=CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2cnnn2C)C1 ZINC001192074120 922898366 /nfs/dbraw/zinc/89/83/66/922898366.db2.gz ZTSQFBADJIHOFA-ZDUSSCGKSA-N 1 2 291.399 1.204 20 30 CDEDLO C=CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2cnnn2C)C1 ZINC001192074120 922898363 /nfs/dbraw/zinc/89/83/63/922898363.db2.gz ZTSQFBADJIHOFA-ZDUSSCGKSA-N 1 2 291.399 1.204 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCC)[C@@H](O)C1 ZINC001099628108 936794391 /nfs/dbraw/zinc/79/43/91/936794391.db2.gz WJGKIYKTLLHEHN-MNOVXSKESA-N 1 2 260.765 1.090 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCC)[C@@H](O)C1 ZINC001099628108 936794394 /nfs/dbraw/zinc/79/43/94/936794394.db2.gz WJGKIYKTLLHEHN-MNOVXSKESA-N 1 2 260.765 1.090 20 30 CDEDLO CCCCc1[nH]c(CN2CCC(=O)[C@@H](C#N)C2)c[nH+]1 ZINC001141071888 936807756 /nfs/dbraw/zinc/80/77/56/936807756.db2.gz GDORRRIIDUDNCU-NSHDSACASA-N 1 2 260.341 1.667 20 30 CDEDLO CCCCc1[nH]cc(CN2CCC(=O)[C@@H](C#N)C2)[nH+]1 ZINC001141071888 936807757 /nfs/dbraw/zinc/80/77/57/936807757.db2.gz GDORRRIIDUDNCU-NSHDSACASA-N 1 2 260.341 1.667 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC001141155160 936821737 /nfs/dbraw/zinc/82/17/37/936821737.db2.gz CZCKQFALWCDZTE-UHFFFAOYSA-N 1 2 294.301 1.759 20 30 CDEDLO C#CCN1CC[NH+](Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC001141155160 936821739 /nfs/dbraw/zinc/82/17/39/936821739.db2.gz CZCKQFALWCDZTE-UHFFFAOYSA-N 1 2 294.301 1.759 20 30 CDEDLO CC(C)(C)C#CC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000837391525 936840806 /nfs/dbraw/zinc/84/08/06/936840806.db2.gz QRAKQSJSZJFUFT-UHFFFAOYSA-N 1 2 258.321 1.721 20 30 CDEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001081801314 924795488 /nfs/dbraw/zinc/79/54/88/924795488.db2.gz RIAFSEPFEWIISJ-TZMCWYRMSA-N 1 2 295.358 1.073 20 30 CDEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001081801314 924795494 /nfs/dbraw/zinc/79/54/94/924795494.db2.gz RIAFSEPFEWIISJ-TZMCWYRMSA-N 1 2 295.358 1.073 20 30 CDEDLO C=CC1(CC(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)CCCCC1 ZINC001196861472 925001390 /nfs/dbraw/zinc/00/13/90/925001390.db2.gz ZMHOWFCWILUEAC-ZIAGYGMSSA-N 1 2 298.402 1.644 20 30 CDEDLO C=CC1(CC(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)CCCCC1 ZINC001196861472 925001399 /nfs/dbraw/zinc/00/13/99/925001399.db2.gz ZMHOWFCWILUEAC-ZIAGYGMSSA-N 1 2 298.402 1.644 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2occc2Cl)C1 ZINC001108193083 925034952 /nfs/dbraw/zinc/03/49/52/925034952.db2.gz XXGRGOMADHUERG-AWEZNQCLSA-N 1 2 298.770 1.940 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2occc2Cl)C1 ZINC001108193083 925034956 /nfs/dbraw/zinc/03/49/56/925034956.db2.gz XXGRGOMADHUERG-AWEZNQCLSA-N 1 2 298.770 1.940 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCC3CCCC3)[C@H]2C1 ZINC001082985116 925060481 /nfs/dbraw/zinc/06/04/81/925060481.db2.gz MJMVFTDVUUSWHJ-JKSUJKDBSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCC3CCCC3)[C@H]2C1 ZINC001082985116 925060490 /nfs/dbraw/zinc/06/04/90/925060490.db2.gz MJMVFTDVUUSWHJ-JKSUJKDBSA-N 1 2 290.407 1.502 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccoc2C)CC1 ZINC000840949656 936969209 /nfs/dbraw/zinc/96/92/09/936969209.db2.gz AGMBFBGVQIXBEE-UHFFFAOYSA-N 1 2 262.309 1.867 20 30 CDEDLO C=C(C)CNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001142223927 936991886 /nfs/dbraw/zinc/99/18/86/936991886.db2.gz QQFFDFPJXUHTDQ-UHFFFAOYSA-N 1 2 250.367 1.799 20 30 CDEDLO C=C(C)CNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001142223927 936991889 /nfs/dbraw/zinc/99/18/89/936991889.db2.gz QQFFDFPJXUHTDQ-UHFFFAOYSA-N 1 2 250.367 1.799 20 30 CDEDLO Cc1cc(NCCN(C)C(=O)C#CC2CC2)nc(C2CC2)[nH+]1 ZINC001101595497 936993244 /nfs/dbraw/zinc/99/32/44/936993244.db2.gz XXWZCQDZAAWKJQ-UHFFFAOYSA-N 1 2 298.390 1.946 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)/C=C\C1CC1)c1nccn12 ZINC001101620960 936994587 /nfs/dbraw/zinc/99/45/87/936994587.db2.gz WELNXWRNEYDXLI-GXMNPTEKSA-N 1 2 298.390 1.607 20 30 CDEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)/C(C)=C\C)c1nccn12 ZINC001101621620 936994733 /nfs/dbraw/zinc/99/47/33/936994733.db2.gz BDPGAXPGPYQYPW-UUSOHVMFSA-N 1 2 298.390 1.445 20 30 CDEDLO N#Cc1cnc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cn1 ZINC001199665031 925798686 /nfs/dbraw/zinc/79/86/86/925798686.db2.gz DSOBDDMAAADJBO-JTQLQIEISA-N 1 2 282.307 1.091 20 30 CDEDLO CN(C[C@@H]1CC[N@@H+]1C/C=C/Cl)C(=O)c1cc(C#N)c[nH]1 ZINC001085536284 926125917 /nfs/dbraw/zinc/12/59/17/926125917.db2.gz YVYVPYDUQUIJOA-KMOQFTEPSA-N 1 2 292.770 1.785 20 30 CDEDLO CN(C[C@@H]1CC[N@H+]1C/C=C/Cl)C(=O)c1cc(C#N)c[nH]1 ZINC001085536284 926125923 /nfs/dbraw/zinc/12/59/23/926125923.db2.gz YVYVPYDUQUIJOA-KMOQFTEPSA-N 1 2 292.770 1.785 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C)nc1C1CC1 ZINC001085619904 926216227 /nfs/dbraw/zinc/21/62/27/926216227.db2.gz AWCRUBZWCOQDMY-CYBMUJFWSA-N 1 2 286.379 1.077 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C)nc1C1CC1 ZINC001085619904 926216232 /nfs/dbraw/zinc/21/62/32/926216232.db2.gz AWCRUBZWCOQDMY-CYBMUJFWSA-N 1 2 286.379 1.077 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nn(C)cc1Cl ZINC001085615815 926219742 /nfs/dbraw/zinc/21/97/42/926219742.db2.gz WQCYSQOPEQBDBJ-NSHDSACASA-N 1 2 294.786 1.243 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nn(C)cc1Cl ZINC001085615815 926219748 /nfs/dbraw/zinc/21/97/48/926219748.db2.gz WQCYSQOPEQBDBJ-NSHDSACASA-N 1 2 294.786 1.243 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(Cl)n(C)n1 ZINC001085712198 926310846 /nfs/dbraw/zinc/31/08/46/926310846.db2.gz DGRKNYWFACGDQH-NSHDSACASA-N 1 2 294.786 1.243 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(Cl)n(C)n1 ZINC001085712198 926310853 /nfs/dbraw/zinc/31/08/53/926310853.db2.gz DGRKNYWFACGDQH-NSHDSACASA-N 1 2 294.786 1.243 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(C)C)n[nH]1 ZINC001085832622 926431473 /nfs/dbraw/zinc/43/14/73/926431473.db2.gz MBQWJHOZOYRQIA-GFCCVEGCSA-N 1 2 274.368 1.313 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(C)C)n[nH]1 ZINC001085832622 926431476 /nfs/dbraw/zinc/43/14/76/926431476.db2.gz MBQWJHOZOYRQIA-GFCCVEGCSA-N 1 2 274.368 1.313 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)ccc1F ZINC001085844610 926444210 /nfs/dbraw/zinc/44/42/10/926444210.db2.gz SGTRDWJNUIXNHG-CYBMUJFWSA-N 1 2 274.339 1.914 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)ccc1F ZINC001085844610 926444216 /nfs/dbraw/zinc/44/42/16/926444216.db2.gz SGTRDWJNUIXNHG-CYBMUJFWSA-N 1 2 274.339 1.914 20 30 CDEDLO CCOC(=O)CN(CCC#N)Cc1cccn2cc[nH+]c12 ZINC001142959907 937100370 /nfs/dbraw/zinc/10/03/70/937100370.db2.gz DVZJXWOWAIPSPY-UHFFFAOYSA-N 1 2 286.335 1.613 20 30 CDEDLO Cc1nc(N2CCC(C)(NC(=O)C#CC3CC3)CC2)cc[nH+]1 ZINC001110591394 926711512 /nfs/dbraw/zinc/71/15/12/926711512.db2.gz DIOYGYLPIBYVMB-UHFFFAOYSA-N 1 2 298.390 1.674 20 30 CDEDLO CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1ccc(C#N)nc1 ZINC001103161687 937126143 /nfs/dbraw/zinc/12/61/43/937126143.db2.gz HQYRFDFMJIAZNS-NSHDSACASA-N 1 2 298.350 1.226 20 30 CDEDLO Cc1cc(NC[C@H](C)NC(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001108292599 927334907 /nfs/dbraw/zinc/33/49/07/927334907.db2.gz YHXOVYBJYJMVOS-PWSUYJOCSA-N 1 2 289.383 1.985 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)CCOC)C1 ZINC001108409654 927524768 /nfs/dbraw/zinc/52/47/68/927524768.db2.gz YVBCIPQJANZCHS-UKRRQHHQSA-N 1 2 284.400 1.052 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)CCOC)C1 ZINC001108409654 927524776 /nfs/dbraw/zinc/52/47/76/927524776.db2.gz YVBCIPQJANZCHS-UKRRQHHQSA-N 1 2 284.400 1.052 20 30 CDEDLO C=CCCOCC(=O)NC[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001104005632 937184383 /nfs/dbraw/zinc/18/43/83/937184383.db2.gz IDIDVSCCJOJMFR-LBPRGKRZSA-N 1 2 292.383 1.542 20 30 CDEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C(C)(C)CC)CC2=O)C1 ZINC001108567937 928460946 /nfs/dbraw/zinc/46/09/46/928460946.db2.gz FQUSTNYFIXUBGM-LBPRGKRZSA-N 1 2 293.411 1.010 20 30 CDEDLO C=CCOCC(=O)N[C@]1(C)CCN(c2cc[nH+]c(C)n2)C1 ZINC001110728536 928741379 /nfs/dbraw/zinc/74/13/79/928741379.db2.gz QCZMPHRFNWQUSQ-OAHLLOKOSA-N 1 2 290.367 1.073 20 30 CDEDLO Cc1nc(NC[C@H](NC(=O)C#CC(C)C)C2CC2)cc[nH+]1 ZINC001109837902 929061603 /nfs/dbraw/zinc/06/16/03/929061603.db2.gz NYXHNYBJDOHKAY-AWEZNQCLSA-N 1 2 286.379 1.751 20 30 CDEDLO C=CC(C)(C)CC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001112887985 929537577 /nfs/dbraw/zinc/53/75/77/929537577.db2.gz HOJWFKABLDTYOF-UHFFFAOYSA-N 1 2 290.411 1.630 20 30 CDEDLO N#CCNC1(CNC(=O)CCc2[nH]cc[nH+]2)CCCCC1 ZINC001115509761 937387842 /nfs/dbraw/zinc/38/78/42/937387842.db2.gz CXXNCJXTYZQZSF-UHFFFAOYSA-N 1 2 289.383 1.275 20 30 CDEDLO O=C1C=C2C[N@H+]([C@@H]3CCCOCC3)CC[C@H]2S1 ZINC001170811466 930173032 /nfs/dbraw/zinc/17/30/32/930173032.db2.gz LXNIABAALNDMSR-VXGBXAGGSA-N 1 2 253.367 1.830 20 30 CDEDLO O=C1C=C2C[N@@H+]([C@@H]3CCCOCC3)CC[C@H]2S1 ZINC001170811466 930173040 /nfs/dbraw/zinc/17/30/40/930173040.db2.gz LXNIABAALNDMSR-VXGBXAGGSA-N 1 2 253.367 1.830 20 30 CDEDLO N#C[C@H]1CC[C@@H]([NH2+]c2ccc(N3CCNC(=O)C3)cc2)C1 ZINC000799721420 937395157 /nfs/dbraw/zinc/39/51/57/937395157.db2.gz FYBAEDIYLFLJAW-GXTWGEPZSA-N 1 2 284.363 1.727 20 30 CDEDLO C#CC[NH2+]C1(CNC(=O)c2[nH]ncc2F)CCCCC1 ZINC001115716827 937415791 /nfs/dbraw/zinc/41/57/91/937415791.db2.gz AJTHBACRXLWLIE-UHFFFAOYSA-N 1 2 278.331 1.204 20 30 CDEDLO CN(C)c1cc(COC(=O)c2cnccc2C#N)cc[nH+]1 ZINC000805719011 930763886 /nfs/dbraw/zinc/76/38/86/930763886.db2.gz MVGUDPVYNGWBFB-UHFFFAOYSA-N 1 2 282.303 1.771 20 30 CDEDLO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001153472012 937447826 /nfs/dbraw/zinc/44/78/26/937447826.db2.gz UTUHSRCXYKWBFC-NXEZZACHSA-N 1 2 282.281 1.737 20 30 CDEDLO C#CCC[N@H+](CC)[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001153472012 937447828 /nfs/dbraw/zinc/44/78/28/937447828.db2.gz UTUHSRCXYKWBFC-NXEZZACHSA-N 1 2 282.281 1.737 20 30 CDEDLO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001153472012 937447830 /nfs/dbraw/zinc/44/78/30/937447830.db2.gz UTUHSRCXYKWBFC-NXEZZACHSA-N 1 2 282.281 1.737 20 30 CDEDLO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001153472012 937447831 /nfs/dbraw/zinc/44/78/31/937447831.db2.gz UTUHSRCXYKWBFC-NXEZZACHSA-N 1 2 282.281 1.737 20 30 CDEDLO C=CCn1cc(C[NH2+][C@H]2CCc3cccnc32)nn1 ZINC000886628449 930926905 /nfs/dbraw/zinc/92/69/05/930926905.db2.gz QVBOXLZAUOYQPD-ZDUSSCGKSA-N 1 2 255.325 1.636 20 30 CDEDLO C=CCC1(O)CC[NH+]([C@H](C)c2nncn2C)CC1 ZINC000886778797 930958234 /nfs/dbraw/zinc/95/82/34/930958234.db2.gz UTZOKLBVCVQVPZ-LLVKDONJSA-N 1 2 250.346 1.279 20 30 CDEDLO N#CCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cnoc1 ZINC001274031978 931131821 /nfs/dbraw/zinc/13/18/21/931131821.db2.gz CWQCDOHSFODHFE-CHWSQXEVSA-N 1 2 274.324 1.154 20 30 CDEDLO N#CCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cnoc1 ZINC001274031978 931131825 /nfs/dbraw/zinc/13/18/25/931131825.db2.gz CWQCDOHSFODHFE-CHWSQXEVSA-N 1 2 274.324 1.154 20 30 CDEDLO Cc1cc(Cl)c(C)c(N[C@@H]2C(=O)N(O)C[C@@H]2C)[nH+]1 ZINC001160174991 931245237 /nfs/dbraw/zinc/24/52/37/931245237.db2.gz TXSPUEJXHAWRQU-WKEGUHRASA-N 1 2 269.732 2.000 20 30 CDEDLO CCN(CC#N)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154314921 937529936 /nfs/dbraw/zinc/52/99/36/937529936.db2.gz JDEXADUYGDZKTK-GFCCVEGCSA-N 1 2 285.351 1.298 20 30 CDEDLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(O)c(C#N)c1 ZINC001275708365 931970068 /nfs/dbraw/zinc/97/00/68/931970068.db2.gz UAAZGGZJFXVJFG-BETUJISGSA-N 1 2 271.320 1.182 20 30 CDEDLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(O)c(C#N)c1 ZINC001275708365 931970072 /nfs/dbraw/zinc/97/00/72/931970072.db2.gz UAAZGGZJFXVJFG-BETUJISGSA-N 1 2 271.320 1.182 20 30 CDEDLO C=C[C@@H]1C[C@]1(NC(=O)c1cccc2[nH+]ccn21)C(=O)OCC ZINC001154525675 937553724 /nfs/dbraw/zinc/55/37/24/937553724.db2.gz RYCRIGARSABBPQ-BDJLRTHQSA-N 1 2 299.330 1.572 20 30 CDEDLO N#CCc1cc[nH+]c(NCCN2CCCCC2=O)c1 ZINC001154628743 937569602 /nfs/dbraw/zinc/56/96/02/937569602.db2.gz LMPVJKUKCUAAJV-UHFFFAOYSA-N 1 2 258.325 1.572 20 30 CDEDLO C#CCCCC(=O)NCCCN(C)c1cc[nH+]c(C)n1 ZINC001095543318 932706412 /nfs/dbraw/zinc/70/64/12/932706412.db2.gz OVVWBVIIXINKAQ-UHFFFAOYSA-N 1 2 274.368 1.531 20 30 CDEDLO CC(F)(F)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001009851680 935436719 /nfs/dbraw/zinc/43/67/19/935436719.db2.gz WWDUGCJXRHYHCA-SECBINFHSA-N 1 2 299.346 1.965 20 30 CDEDLO CC(F)(F)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001009851680 935436722 /nfs/dbraw/zinc/43/67/22/935436722.db2.gz WWDUGCJXRHYHCA-SECBINFHSA-N 1 2 299.346 1.965 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@H](C)C1 ZINC001018112087 935660243 /nfs/dbraw/zinc/66/02/43/935660243.db2.gz MWWHDNAGNWATFW-QXSJWSMHSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@H](C)C1 ZINC001018112087 935660244 /nfs/dbraw/zinc/66/02/44/935660244.db2.gz MWWHDNAGNWATFW-QXSJWSMHSA-N 1 2 290.407 1.500 20 30 CDEDLO C=CCOCCNC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001121914500 937890146 /nfs/dbraw/zinc/89/01/46/937890146.db2.gz VYYQZDDPKDNHFE-UHFFFAOYSA-N 1 2 292.383 1.512 20 30 CDEDLO N#CCc1cc[nH+]c(NCCCc2c[nH][nH]c2=O)c1 ZINC001156278180 938345231 /nfs/dbraw/zinc/34/52/31/938345231.db2.gz GLYLFOHUTZGCOQ-LLVKDONJSA-N 1 2 257.297 1.072 20 30 CDEDLO Cc1cnc(NCc2cc[nH+]c(N)c2)c(/C=N/O)c1 ZINC001156760310 938415305 /nfs/dbraw/zinc/41/53/05/938415305.db2.gz IAGFXIYNVCKVKG-QGMBQPNBSA-N 1 2 257.297 1.787 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1cc(OC)c(C#N)cn1 ZINC001157459824 938495691 /nfs/dbraw/zinc/49/56/91/938495691.db2.gz JUXHFSCDQFEYIC-UHFFFAOYSA-N 1 2 271.324 1.685 20 30 CDEDLO CC(C)(S)CNc1cc(N2CCC[C@@H]2C(N)=O)nc[nH+]1 ZINC001159269296 938716598 /nfs/dbraw/zinc/71/65/98/938716598.db2.gz IZBCSSCUXBMBNF-SECBINFHSA-N 1 2 295.412 1.051 20 30 CDEDLO CC(C)(S)CNc1cc(N2CCC[C@@H]2C(N)=O)[nH+]cn1 ZINC001159269296 938716602 /nfs/dbraw/zinc/71/66/02/938716602.db2.gz IZBCSSCUXBMBNF-SECBINFHSA-N 1 2 295.412 1.051 20 30 CDEDLO N#Cc1ncc(NCCCCNc2cccc[nH+]2)nc1C#N ZINC001162360672 939035302 /nfs/dbraw/zinc/03/53/02/939035302.db2.gz FBISGHCMHOCSMW-UHFFFAOYSA-N 1 2 293.334 1.919 20 30 CDEDLO N#Cc1c[nH]c2cc[nH+]c(N3CC4(CC(O)C4)C3)c12 ZINC001163740684 939319812 /nfs/dbraw/zinc/31/98/12/939319812.db2.gz CJDLJGUSXNNPSB-UHFFFAOYSA-N 1 2 254.293 1.396 20 30 CDEDLO COc1cc2[nH+]ccn2cc1NC(=NC#N)c1ccncc1 ZINC001164517478 939482201 /nfs/dbraw/zinc/48/22/01/939482201.db2.gz QUGPCGXSNVEAHL-UHFFFAOYSA-N 1 2 292.302 1.887 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1c1ccc2ccc(F)cc2n1 ZINC001164660676 939502835 /nfs/dbraw/zinc/50/28/35/939502835.db2.gz GCQVVPOYFQZONU-GFCCVEGCSA-N 1 2 256.284 1.676 20 30 CDEDLO CCN(CC)c1cc(N2CCN(CCC#N)CC2)nc[nH+]1 ZINC001165055193 939505075 /nfs/dbraw/zinc/50/50/75/939505075.db2.gz IZFWEHLFYINVDW-UHFFFAOYSA-N 1 2 288.399 1.358 20 30 CDEDLO Cc1nc(-n2cncn2)cc(N2CCC[C@@H](CC#N)C2)[nH+]1 ZINC001166741187 939634007 /nfs/dbraw/zinc/63/40/07/939634007.db2.gz KGAASPDBLNHGFL-LBPRGKRZSA-N 1 2 283.339 1.496 20 30 CDEDLO C=CCN1CC[NH+](Cc2ccc(OC(C)=O)cc2)CC1 ZINC001203952423 939716006 /nfs/dbraw/zinc/71/60/06/939716006.db2.gz WZBGTZRAOFDHCB-UHFFFAOYSA-N 1 2 274.364 1.916 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc(C)no2)C[C@H]1C ZINC001206509553 940050851 /nfs/dbraw/zinc/05/08/51/940050851.db2.gz NZIHNDIQBRBAML-NTZNESFSSA-N 1 2 292.383 1.842 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc(C)no2)C[C@H]1C ZINC001206509553 940050853 /nfs/dbraw/zinc/05/08/53/940050853.db2.gz NZIHNDIQBRBAML-NTZNESFSSA-N 1 2 292.383 1.842 20 30 CDEDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1ccc(C#N)cc1Cl ZINC001276533972 940198931 /nfs/dbraw/zinc/19/89/31/940198931.db2.gz PCZUGKUZYXBOLV-PHIMTYICSA-N 1 2 275.739 1.740 20 30 CDEDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1ccc(C#N)cc1Cl ZINC001276533972 940198932 /nfs/dbraw/zinc/19/89/32/940198932.db2.gz PCZUGKUZYXBOLV-PHIMTYICSA-N 1 2 275.739 1.740 20 30 CDEDLO C=CCCC(=O)N1CCC[C@H]([NH2+]Cc2csnn2)C1 ZINC001207636237 940224469 /nfs/dbraw/zinc/22/44/69/940224469.db2.gz SAIUWLSDXVOHHD-NSHDSACASA-N 1 2 280.397 1.585 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nonc2C)C[C@H]1C ZINC001208452577 940332465 /nfs/dbraw/zinc/33/24/65/940332465.db2.gz SOMIODHTBUJEMN-DGCLKSJQSA-N 1 2 292.383 1.671 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2nonc2C)C[C@H]1C ZINC001208452577 940332470 /nfs/dbraw/zinc/33/24/70/940332470.db2.gz SOMIODHTBUJEMN-DGCLKSJQSA-N 1 2 292.383 1.671 20 30 CDEDLO C#Cc1cc(Nc2cnc(OC)c([N+](=O)[O-])c2)cc[nH+]1 ZINC001210135777 940665579 /nfs/dbraw/zinc/66/55/79/940665579.db2.gz YDPXTXPMGCBXAZ-UHFFFAOYSA-N 1 2 270.248 1.540 20 30 CDEDLO C=CCCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2noc(C)n2)C1 ZINC001214304486 940814722 /nfs/dbraw/zinc/81/47/22/940814722.db2.gz VKSBELRJIMZRBD-NTZNESFSSA-N 1 2 292.383 1.842 20 30 CDEDLO N#Cc1c2ccccc2sc1NC(=O)[C@@H]1COCC[NH2+]1 ZINC001218647788 941251115 /nfs/dbraw/zinc/25/11/15/941251115.db2.gz ASXVUVJRAQYCID-NSHDSACASA-N 1 2 287.344 1.700 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@@H]1O ZINC001219718761 941383424 /nfs/dbraw/zinc/38/34/24/941383424.db2.gz NWAUQMWGOUPBPQ-OLZOCXBDSA-N 1 2 293.367 1.001 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@@H]1O ZINC001219718761 941383428 /nfs/dbraw/zinc/38/34/28/941383428.db2.gz NWAUQMWGOUPBPQ-OLZOCXBDSA-N 1 2 293.367 1.001 20 30 CDEDLO CCOC(=O)[C@H](C#C[Si](C)(C)C)OCc1c[nH+]cn1C ZINC001222599857 941618908 /nfs/dbraw/zinc/61/89/08/941618908.db2.gz GYRNAXKPDRFPEY-ZDUSSCGKSA-N 1 2 294.427 1.749 20 30 CDEDLO Cc1cc(C[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)no1 ZINC001226617477 942035620 /nfs/dbraw/zinc/03/56/20/942035620.db2.gz HNPGPYVACCVMBY-SNVBAGLBSA-N 1 2 276.340 1.223 20 30 CDEDLO C#CCCCC(=O)NC1CC[NH+](Cc2nnc(C)o2)CC1 ZINC001227084680 942129155 /nfs/dbraw/zinc/12/91/55/942129155.db2.gz DMVIUZRFIZYIPL-UHFFFAOYSA-N 1 2 290.367 1.262 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(O)ccc3O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227404939 942173188 /nfs/dbraw/zinc/17/31/88/942173188.db2.gz PRONHFRCBFAODJ-OTDFPYDRSA-N 1 2 263.293 1.089 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(O)ccc3O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227404939 942173190 /nfs/dbraw/zinc/17/31/90/942173190.db2.gz PRONHFRCBFAODJ-OTDFPYDRSA-N 1 2 263.293 1.089 20 30 CDEDLO C=CC(C)(C)C(=O)NC1CC[NH+](Cc2cnns2)CC1 ZINC001228631759 942344240 /nfs/dbraw/zinc/34/42/40/942344240.db2.gz SWNYFVIMOAFRNU-UHFFFAOYSA-N 1 2 294.424 1.831 20 30 CDEDLO N#CC1(NC(=O)[C@@]23C[C@@H]2CC[N@@H+]3Cc2ccco2)CCC1 ZINC001277400044 942492981 /nfs/dbraw/zinc/49/29/81/942492981.db2.gz ZJNWGTVHPKFPHS-BLLLJJGKSA-N 1 2 285.347 1.806 20 30 CDEDLO N#CC1(NC(=O)[C@@]23C[C@@H]2CC[N@H+]3Cc2ccco2)CCC1 ZINC001277400044 942492982 /nfs/dbraw/zinc/49/29/82/942492982.db2.gz ZJNWGTVHPKFPHS-BLLLJJGKSA-N 1 2 285.347 1.806 20 30 CDEDLO CCCOCC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230533891 942632303 /nfs/dbraw/zinc/63/23/03/942632303.db2.gz VPERGCRKQAQVRM-OAHLLOKOSA-N 1 2 293.411 1.640 20 30 CDEDLO CCCOCC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001230533891 942632305 /nfs/dbraw/zinc/63/23/05/942632305.db2.gz VPERGCRKQAQVRM-OAHLLOKOSA-N 1 2 293.411 1.640 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc[nH]1 ZINC001282355620 942694333 /nfs/dbraw/zinc/69/43/33/942694333.db2.gz PJYROFWXCAILRW-SNVBAGLBSA-N 1 2 255.749 1.817 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccc[nH]1 ZINC001282355620 942694337 /nfs/dbraw/zinc/69/43/37/942694337.db2.gz PJYROFWXCAILRW-SNVBAGLBSA-N 1 2 255.749 1.817 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Oc1ncnc2c(C#N)cccc12 ZINC001231029238 942761018 /nfs/dbraw/zinc/76/10/18/942761018.db2.gz AKZYNZVBLIIXGY-GFCCVEGCSA-N 1 2 298.346 1.601 20 30 CDEDLO CNC(=O)C[N@H+](C)Cc1ccc(C#N)c(Cl)c1 ZINC001232111984 943142319 /nfs/dbraw/zinc/14/23/19/943142319.db2.gz NHWCTYZEKRBABF-UHFFFAOYSA-N 1 2 251.717 1.389 20 30 CDEDLO CNC(=O)C[N@@H+](C)Cc1ccc(C#N)c(Cl)c1 ZINC001232111984 943142323 /nfs/dbraw/zinc/14/23/23/943142323.db2.gz NHWCTYZEKRBABF-UHFFFAOYSA-N 1 2 251.717 1.389 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cnc(-c3cccnc3)o2)CC1 ZINC001232136895 943146322 /nfs/dbraw/zinc/14/63/22/943146322.db2.gz FMJORYPVAQKOMC-UHFFFAOYSA-N 1 2 297.362 1.768 20 30 CDEDLO N#Cc1ccnc(C[NH+]2CC(c3cccnc3)C2)c1 ZINC001232477602 943291061 /nfs/dbraw/zinc/29/10/61/943291061.db2.gz CONLDCIJDHNYHO-UHFFFAOYSA-N 1 2 250.305 1.948 20 30 CDEDLO N#Cc1ccnc(C[N@H+]2CCC[C@@H](NC(=O)C3CC3)C2)c1 ZINC001232481719 943294807 /nfs/dbraw/zinc/29/48/07/943294807.db2.gz JTDMNFRJQZRRJK-CQSZACIVSA-N 1 2 284.363 1.444 20 30 CDEDLO N#Cc1ccnc(C[N@@H+]2CCC[C@@H](NC(=O)C3CC3)C2)c1 ZINC001232481719 943294811 /nfs/dbraw/zinc/29/48/11/943294811.db2.gz JTDMNFRJQZRRJK-CQSZACIVSA-N 1 2 284.363 1.444 20 30 CDEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(C[C@H](O)CO3)CC2)c1 ZINC001232675640 943357519 /nfs/dbraw/zinc/35/75/19/943357519.db2.gz RREPQHFPPSBSDJ-AWEZNQCLSA-N 1 2 288.347 1.380 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232678923 943358072 /nfs/dbraw/zinc/35/80/72/943358072.db2.gz VAMIDJXZOJZQSS-ZDUSSCGKSA-N 1 2 273.336 1.316 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232678923 943358078 /nfs/dbraw/zinc/35/80/78/943358078.db2.gz VAMIDJXZOJZQSS-ZDUSSCGKSA-N 1 2 273.336 1.316 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC001232679196 943361429 /nfs/dbraw/zinc/36/14/29/943361429.db2.gz GUEPPIXKDYAGQJ-HNNXBMFYSA-N 1 2 287.363 1.170 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC001232679196 943361437 /nfs/dbraw/zinc/36/14/37/943361437.db2.gz GUEPPIXKDYAGQJ-HNNXBMFYSA-N 1 2 287.363 1.170 20 30 CDEDLO N#Cc1cccc(C[NH+]2CCN(c3cccnc3)CC2)n1 ZINC001232921664 943433393 /nfs/dbraw/zinc/43/33/93/943433393.db2.gz BRMULFNSSGTISV-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)n1 ZINC001232926033 943435780 /nfs/dbraw/zinc/43/57/80/943435780.db2.gz XHMLUCLCRQIDEC-CQSZACIVSA-N 1 2 272.308 1.028 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)n1 ZINC001232926033 943435785 /nfs/dbraw/zinc/43/57/85/943435785.db2.gz XHMLUCLCRQIDEC-CQSZACIVSA-N 1 2 272.308 1.028 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c(Cl)ncnc2Cl)CC1 ZINC001233410774 943578679 /nfs/dbraw/zinc/57/86/79/943578679.db2.gz AXDJXRDREBCLOV-UHFFFAOYSA-N 1 2 285.178 1.534 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)n1cccc1 ZINC001233730531 943646855 /nfs/dbraw/zinc/64/68/55/943646855.db2.gz JGFUYSKUDTZUPN-KBPBESRZSA-N 1 2 259.353 1.215 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)n1cccc1 ZINC001233730531 943646858 /nfs/dbraw/zinc/64/68/58/943646858.db2.gz JGFUYSKUDTZUPN-KBPBESRZSA-N 1 2 259.353 1.215 20 30 CDEDLO Cc1oncc1C[N@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234159936 943758676 /nfs/dbraw/zinc/75/86/76/943758676.db2.gz DHXYEFBYTNXGQW-HNNXBMFYSA-N 1 2 289.379 1.675 20 30 CDEDLO Cc1oncc1C[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234159936 943758681 /nfs/dbraw/zinc/75/86/81/943758681.db2.gz DHXYEFBYTNXGQW-HNNXBMFYSA-N 1 2 289.379 1.675 20 30 CDEDLO C=CCN(C)c1nnc([C@@H]2CCC[N@@H+]2C)n1CCOC ZINC001263265098 943814161 /nfs/dbraw/zinc/81/41/61/943814161.db2.gz CZVSHFJEDXDMBM-LBPRGKRZSA-N 1 2 279.388 1.313 20 30 CDEDLO C=CCN(C)c1nnc([C@@H]2CCC[N@H+]2C)n1CCOC ZINC001263265098 943814169 /nfs/dbraw/zinc/81/41/69/943814169.db2.gz CZVSHFJEDXDMBM-LBPRGKRZSA-N 1 2 279.388 1.313 20 30 CDEDLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)C(C#N)C(=O)NC1CCCC1 ZINC001263314600 943825866 /nfs/dbraw/zinc/82/58/66/943825866.db2.gz WLJWDICRMWZTHZ-UONOGXRCSA-N 1 2 291.395 1.627 20 30 CDEDLO CC(C)[N@H+]1CCC[C@@H]1C(=O)C(C#N)C(=O)NC1CCCC1 ZINC001263314600 943825872 /nfs/dbraw/zinc/82/58/72/943825872.db2.gz WLJWDICRMWZTHZ-UONOGXRCSA-N 1 2 291.395 1.627 20 30 CDEDLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)[C@H](C#N)C(=O)NC1CCCC1 ZINC001263314600 943825878 /nfs/dbraw/zinc/82/58/78/943825878.db2.gz WLJWDICRMWZTHZ-UONOGXRCSA-N 1 2 291.395 1.627 20 30 CDEDLO CC(C)[N@H+]1CCC[C@@H]1C(=O)[C@H](C#N)C(=O)NC1CCCC1 ZINC001263314600 943825886 /nfs/dbraw/zinc/82/58/86/943825886.db2.gz WLJWDICRMWZTHZ-UONOGXRCSA-N 1 2 291.395 1.627 20 30 CDEDLO C=CCOCC(=O)NCCC[N@@H+](C)Cc1coc(C)n1 ZINC001235684236 944246366 /nfs/dbraw/zinc/24/63/66/944246366.db2.gz USZVEZOTRJHXMH-UHFFFAOYSA-N 1 2 281.356 1.124 20 30 CDEDLO C=CCOCC(=O)NCCC[N@H+](C)Cc1coc(C)n1 ZINC001235684236 944246372 /nfs/dbraw/zinc/24/63/72/944246372.db2.gz USZVEZOTRJHXMH-UHFFFAOYSA-N 1 2 281.356 1.124 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cccc(C)c2OC)CC1 ZINC001237513027 944822573 /nfs/dbraw/zinc/82/25/73/944822573.db2.gz MHXZBHJIKZCXKC-UHFFFAOYSA-N 1 2 258.365 1.754 20 30 CDEDLO C=CCC[C@@H](C)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001258721240 945392903 /nfs/dbraw/zinc/39/29/03/945392903.db2.gz QICXZEWKJUPDRA-YPMHNXCESA-N 1 2 265.357 1.449 20 30 CDEDLO C=CCS(=O)(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001259928016 945712650 /nfs/dbraw/zinc/71/26/50/945712650.db2.gz HIKCRSOPAALHLG-LBPRGKRZSA-N 1 2 268.338 1.051 20 30 CDEDLO CN(C)[C@@H](C(=O)Nc1cc(CC#N)ccn1)c1c[nH+]cn1C ZINC001362461964 971299676 /nfs/dbraw/zinc/29/96/76/971299676.db2.gz BOWZYFBFFXNJKU-CQSZACIVSA-N 1 2 298.350 1.123 20 30 CDEDLO COC(=O)CC[C@@H]1COCC[N@@H+]1[C@H]1CC[C@@H](C#N)C1 ZINC001254678530 947593408 /nfs/dbraw/zinc/59/34/08/947593408.db2.gz FIADSHLMKMHOOA-FRRDWIJNSA-N 1 2 266.341 1.333 20 30 CDEDLO COC(=O)CC[C@@H]1COCC[N@H+]1[C@H]1CC[C@@H](C#N)C1 ZINC001254678530 947593413 /nfs/dbraw/zinc/59/34/13/947593413.db2.gz FIADSHLMKMHOOA-FRRDWIJNSA-N 1 2 266.341 1.333 20 30 CDEDLO CC(C)[C@@](C)(C#N)[NH2+]C1CCN(c2ncccn2)CC1 ZINC001256047092 948182357 /nfs/dbraw/zinc/18/23/57/948182357.db2.gz YYXCWGSJZFXATC-OAHLLOKOSA-N 1 2 273.384 1.973 20 30 CDEDLO CCc1cc(C#N)ccc1C[N@@H+]1CCOC[C@@H]1COC ZINC001248752470 949127982 /nfs/dbraw/zinc/12/79/82/949127982.db2.gz MUFPKLPFSFZDQU-INIZCTEOSA-N 1 2 274.364 1.968 20 30 CDEDLO CCc1cc(C#N)ccc1C[N@H+]1CCOC[C@@H]1COC ZINC001248752470 949127992 /nfs/dbraw/zinc/12/79/92/949127992.db2.gz MUFPKLPFSFZDQU-INIZCTEOSA-N 1 2 274.364 1.968 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c1F ZINC001249687697 949754190 /nfs/dbraw/zinc/75/41/90/949754190.db2.gz NJPNNDFLHJYLBX-HNNXBMFYSA-N 1 2 289.310 1.772 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)c1F ZINC001249687697 949754205 /nfs/dbraw/zinc/75/42/05/949754205.db2.gz NJPNNDFLHJYLBX-HNNXBMFYSA-N 1 2 289.310 1.772 20 30 CDEDLO CCOc1cc(C[NH+]2CCN(CCC#N)CC2)ccn1 ZINC001250010368 949954304 /nfs/dbraw/zinc/95/43/04/949954304.db2.gz YHBLDOADMXETPF-UHFFFAOYSA-N 1 2 274.368 1.512 20 30 CDEDLO C#CCOC[C@@H](O)C[N@@H+]1CCc2ncc(Cl)cc2C1 ZINC001251854558 950874933 /nfs/dbraw/zinc/87/49/33/950874933.db2.gz GTGQWQMGYXYJAS-ZDUSSCGKSA-N 1 2 280.755 1.104 20 30 CDEDLO C#CCOC[C@@H](O)C[N@H+]1CCc2ncc(Cl)cc2C1 ZINC001251854558 950874946 /nfs/dbraw/zinc/87/49/46/950874946.db2.gz GTGQWQMGYXYJAS-ZDUSSCGKSA-N 1 2 280.755 1.104 20 30 CDEDLO C=CCOC[C@H](O)C[N@@H+](C)CC(=O)c1ccccc1 ZINC001252470921 951319998 /nfs/dbraw/zinc/31/99/98/951319998.db2.gz RTBHBJVZGTZDIG-CQSZACIVSA-N 1 2 263.337 1.365 20 30 CDEDLO C=CCOC[C@H](O)C[N@H+](C)CC(=O)c1ccccc1 ZINC001252470921 951320015 /nfs/dbraw/zinc/32/00/15/951320015.db2.gz RTBHBJVZGTZDIG-CQSZACIVSA-N 1 2 263.337 1.365 20 30 CDEDLO C=CCOC[C@@H](O)C[NH2+][C@@H](CC(C)C)C(=O)OCC ZINC001252482085 951343848 /nfs/dbraw/zinc/34/38/48/951343848.db2.gz ISOMNUUZLZWXLA-STQMWFEESA-N 1 2 273.373 1.117 20 30 CDEDLO C=CCOC[C@@H](O)C[NH2+][C@H](C(=O)OCC=C)[C@@H](C)CC ZINC001252487224 951353527 /nfs/dbraw/zinc/35/35/27/951353527.db2.gz OYIFBXWPIXQJCM-IHRRRGAJSA-N 1 2 285.384 1.283 20 30 CDEDLO C=C[C@](C)(O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001252547780 951433903 /nfs/dbraw/zinc/43/39/03/951433903.db2.gz LFCMWDDXKOTYSM-UTLUCORTSA-N 1 2 271.254 1.261 20 30 CDEDLO C=C[C@](C)(O)C[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001252547780 951433910 /nfs/dbraw/zinc/43/39/10/951433910.db2.gz LFCMWDDXKOTYSM-UTLUCORTSA-N 1 2 271.254 1.261 20 30 CDEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1F ZINC001363054448 971849351 /nfs/dbraw/zinc/84/93/51/971849351.db2.gz UAGDBHOLUPDQCQ-GFCCVEGCSA-N 1 2 298.321 1.773 20 30 CDEDLO C=C[C@@H](COC)NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC001325634055 953997086 /nfs/dbraw/zinc/99/70/86/953997086.db2.gz CYEVCKNCVYGKTB-LBPRGKRZSA-N 1 2 293.367 1.707 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C[C@H]2CCOC2)C1 ZINC001422757062 956310310 /nfs/dbraw/zinc/31/03/10/956310310.db2.gz YIYWHSHQODKAGU-NWDGAFQWSA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCc2nc(C)no2)C1 ZINC001365982213 956487986 /nfs/dbraw/zinc/48/79/86/956487986.db2.gz HGPNQUMVCSFKPT-NSHDSACASA-N 1 2 298.774 1.254 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCc2nc(C)no2)C1 ZINC001365982213 956487993 /nfs/dbraw/zinc/48/79/93/956487993.db2.gz HGPNQUMVCSFKPT-NSHDSACASA-N 1 2 298.774 1.254 20 30 CDEDLO CCn1cnc(Cl)c1C[NH2+][C@@H]1CCCN(O)C1=O ZINC001308843440 956589963 /nfs/dbraw/zinc/58/99/63/956589963.db2.gz LJLSKGYBPFPKDE-MRVPVSSYSA-N 1 2 272.736 1.026 20 30 CDEDLO C[N@H+](CCNC(=O)Cc1ccco1)Cc1ccccc1C#N ZINC001366577415 956986505 /nfs/dbraw/zinc/98/65/05/956986505.db2.gz ZNYOAPWGYCGOID-UHFFFAOYSA-N 1 2 297.358 1.942 20 30 CDEDLO C[N@@H+](CCNC(=O)Cc1ccco1)Cc1ccccc1C#N ZINC001366577415 956986510 /nfs/dbraw/zinc/98/65/10/956986510.db2.gz ZNYOAPWGYCGOID-UHFFFAOYSA-N 1 2 297.358 1.942 20 30 CDEDLO C=CC[C@H]([NH2+]CCCc1cnn(C)c1)C(=O)OCC ZINC001331727778 957230972 /nfs/dbraw/zinc/23/09/72/957230972.db2.gz HYRNWFKPASVQEP-ZDUSSCGKSA-N 1 2 265.357 1.450 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1cnc(C)s1 ZINC001334234725 958963676 /nfs/dbraw/zinc/96/36/76/958963676.db2.gz LDJABCBBSCSTHP-PWSUYJOCSA-N 1 2 277.393 1.726 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1cnc(C)s1 ZINC001334234725 958963690 /nfs/dbraw/zinc/96/36/90/958963690.db2.gz LDJABCBBSCSTHP-PWSUYJOCSA-N 1 2 277.393 1.726 20 30 CDEDLO C=CC[C@@H](NC(=O)c1cccc2[nH+]ccn21)C(=O)OCC ZINC001321038380 959549887 /nfs/dbraw/zinc/54/98/87/959549887.db2.gz VVYZDXZZKXOLRU-LLVKDONJSA-N 1 2 287.319 1.572 20 30 CDEDLO C[C@H]1C[N@H+](CCOC(=O)CC#Cc2ccccc2)CCO1 ZINC001321370940 959752762 /nfs/dbraw/zinc/75/27/62/959752762.db2.gz ONKZKCWCXCFYMT-HNNXBMFYSA-N 1 2 287.359 1.692 20 30 CDEDLO C[C@H]1C[N@@H+](CCOC(=O)CC#Cc2ccccc2)CCO1 ZINC001321370940 959752773 /nfs/dbraw/zinc/75/27/73/959752773.db2.gz ONKZKCWCXCFYMT-HNNXBMFYSA-N 1 2 287.359 1.692 20 30 CDEDLO C=C(Cl)CN(C)CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001420041995 962411680 /nfs/dbraw/zinc/41/16/80/962411680.db2.gz SOPDZWPFDPNLRU-UHFFFAOYSA-N 1 2 284.791 1.105 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1cncn1C ZINC001420041995 962411686 /nfs/dbraw/zinc/41/16/86/962411686.db2.gz SOPDZWPFDPNLRU-UHFFFAOYSA-N 1 2 284.791 1.105 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1cncn1C ZINC001420041995 962411694 /nfs/dbraw/zinc/41/16/94/962411694.db2.gz SOPDZWPFDPNLRU-UHFFFAOYSA-N 1 2 284.791 1.105 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)Cc2cc[nH]n2)C1 ZINC001438267731 963391765 /nfs/dbraw/zinc/39/17/65/963391765.db2.gz PHLNRNFBWJQCMN-ZDUSSCGKSA-N 1 2 296.802 1.628 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)Cc2cc[nH]n2)C1 ZINC001438267731 963391770 /nfs/dbraw/zinc/39/17/70/963391770.db2.gz PHLNRNFBWJQCMN-ZDUSSCGKSA-N 1 2 296.802 1.628 20 30 CDEDLO C#Cc1ccc(NC(=O)[C@H](c2c[nH+]cn2C)N(C)C)cc1 ZINC001342723207 963807424 /nfs/dbraw/zinc/80/74/24/963807424.db2.gz UEBFODXGYSUGJH-HNNXBMFYSA-N 1 2 282.347 1.643 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(F)c(C#N)c1 ZINC001443093815 965351670 /nfs/dbraw/zinc/35/16/70/965351670.db2.gz UUNYANRDUMNUBK-UHFFFAOYSA-N 1 2 258.256 1.910 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1cc[nH]n1 ZINC001445712430 966301332 /nfs/dbraw/zinc/30/13/32/966301332.db2.gz YTJMCEIKOKFHSR-SNVBAGLBSA-N 1 2 270.764 1.141 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1cc[nH]n1 ZINC001445712430 966301340 /nfs/dbraw/zinc/30/13/40/966301340.db2.gz YTJMCEIKOKFHSR-SNVBAGLBSA-N 1 2 270.764 1.141 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C1(COCC)CC1 ZINC001445769290 966314052 /nfs/dbraw/zinc/31/40/52/966314052.db2.gz UAEVLHXFJLKNGH-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C1(COCC)CC1 ZINC001445769290 966314055 /nfs/dbraw/zinc/31/40/55/966314055.db2.gz UAEVLHXFJLKNGH-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(C#N)n2C)C1 ZINC001448671545 967201321 /nfs/dbraw/zinc/20/13/21/967201321.db2.gz PNZCUXSCDGTRFI-GFCCVEGCSA-N 1 2 297.362 1.650 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)N1Cc2ccc(C#N)cc2C1 ZINC001548726784 967791849 /nfs/dbraw/zinc/79/18/49/967791849.db2.gz JSBIBKLHRMVEBZ-UHFFFAOYSA-N 1 2 280.331 1.767 20 30 CDEDLO CC#CC[NH2+]C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001200669661 968719906 /nfs/dbraw/zinc/71/99/06/968719906.db2.gz GWNNSIZDZHNTKX-JTQLQIEISA-N 1 2 280.265 1.491 20 30 CDEDLO CC#CC[NH2+]C1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001200669661 968719913 /nfs/dbraw/zinc/71/99/13/968719913.db2.gz GWNNSIZDZHNTKX-JTQLQIEISA-N 1 2 280.265 1.491 20 30 CDEDLO N#CCc1ccccc1C(=O)NCCn1cc[nH+]c1 ZINC001464132058 969772029 /nfs/dbraw/zinc/77/20/29/969772029.db2.gz RDZXNPMCNIBCIT-UHFFFAOYSA-N 1 2 254.293 1.379 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001418494799 973899375 /nfs/dbraw/zinc/89/93/75/973899375.db2.gz JHACQUDVXVPEEX-QWHCGFSZSA-N 1 2 296.802 1.324 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001418494799 973899383 /nfs/dbraw/zinc/89/93/83/973899383.db2.gz JHACQUDVXVPEEX-QWHCGFSZSA-N 1 2 296.802 1.324 20 30 CDEDLO C[C@H](C#N)C(=O)NC1(C)CC[NH+](Cc2ccon2)CC1 ZINC001375773530 974474589 /nfs/dbraw/zinc/47/45/89/974474589.db2.gz LLBNPODSZWJAEJ-LLVKDONJSA-N 1 2 276.340 1.305 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cc1cccnc1C ZINC001377225520 974935096 /nfs/dbraw/zinc/93/50/96/974935096.db2.gz VLAZLPFSDDVAHP-UHFFFAOYSA-N 1 2 281.787 1.733 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cc1cccnc1C ZINC001377225520 974935099 /nfs/dbraw/zinc/93/50/99/974935099.db2.gz VLAZLPFSDDVAHP-UHFFFAOYSA-N 1 2 281.787 1.733 20 30 CDEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)C1CC1 ZINC001379001197 975584641 /nfs/dbraw/zinc/58/46/41/975584641.db2.gz WALAGJBGHJBJCX-UHFFFAOYSA-N 1 2 289.354 1.998 20 30 CDEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)C1CC1 ZINC001379001197 975584654 /nfs/dbraw/zinc/58/46/54/975584654.db2.gz WALAGJBGHJBJCX-UHFFFAOYSA-N 1 2 289.354 1.998 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@@](C)(O)C1CC1 ZINC001401363057 975617081 /nfs/dbraw/zinc/61/70/81/975617081.db2.gz NOIQONPNFGPKOC-CQSZACIVSA-N 1 2 288.819 1.680 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@@](C)(O)C1CC1 ZINC001401363057 975617087 /nfs/dbraw/zinc/61/70/87/975617087.db2.gz NOIQONPNFGPKOC-CQSZACIVSA-N 1 2 288.819 1.680 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](CC)NC(C)=O ZINC001379107234 975667387 /nfs/dbraw/zinc/66/73/87/975667387.db2.gz AXFMDSQRZYWMIS-GFCCVEGCSA-N 1 2 289.807 1.044 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](CC)NC(C)=O ZINC001379107234 975667396 /nfs/dbraw/zinc/66/73/96/975667396.db2.gz AXFMDSQRZYWMIS-GFCCVEGCSA-N 1 2 289.807 1.044 20 30 CDEDLO Cc1cnc(C[NH2+]C2(CNC(=O)c3cc(C#N)c[nH]3)CC2)o1 ZINC001401940057 976030241 /nfs/dbraw/zinc/03/02/41/976030241.db2.gz GQQSKJGSNHZYEL-UHFFFAOYSA-N 1 2 299.334 1.235 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nc(CCC)no1 ZINC001132569107 1163375947 /nfs/dbraw/zinc/37/59/47/1163375947.db2.gz KQSXDEMAZCRFFL-RYUDHWBXSA-N 1 2 294.399 1.686 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NCC[NH2+]Cc1nc(CCC)no1 ZINC001132653579 1163415841 /nfs/dbraw/zinc/41/58/41/1163415841.db2.gz OSZACTQOIRCLST-LBPRGKRZSA-N 1 2 294.399 1.830 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000588206839 342494122 /nfs/dbraw/zinc/49/41/22/342494122.db2.gz NKYDALNDBMABKD-KGLIPLIRSA-N 1 2 276.336 1.400 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000588206839 342494123 /nfs/dbraw/zinc/49/41/23/342494123.db2.gz NKYDALNDBMABKD-KGLIPLIRSA-N 1 2 276.336 1.400 20 30 CDEDLO Cc1ccnc(C[NH+]2CCN(c3cnccc3C#N)CC2)c1 ZINC000590013278 342520113 /nfs/dbraw/zinc/52/01/13/342520113.db2.gz UYYWWJQKJZBNSD-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCCCC[C@H]1CO ZINC000157064617 342526718 /nfs/dbraw/zinc/52/67/18/342526718.db2.gz LGVBRHZHRFAEME-LBPRGKRZSA-N 1 2 293.392 1.795 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCCC[C@H]1CO ZINC000157064617 342526719 /nfs/dbraw/zinc/52/67/19/342526719.db2.gz LGVBRHZHRFAEME-LBPRGKRZSA-N 1 2 293.392 1.795 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000128389221 342533953 /nfs/dbraw/zinc/53/39/53/342533953.db2.gz VLGPWIALUKOKHK-ZDUSSCGKSA-N 1 2 263.341 1.311 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@H+]1CCOC2(CCOCC2)C1 ZINC000128389221 342533954 /nfs/dbraw/zinc/53/39/54/342533954.db2.gz VLGPWIALUKOKHK-ZDUSSCGKSA-N 1 2 263.341 1.311 20 30 CDEDLO COc1ccc(C[N@@H+]2CCCC[C@H]2C(N)=O)cc1C#N ZINC000087833278 361778858 /nfs/dbraw/zinc/77/88/58/361778858.db2.gz DEZFXNHRQNUMDE-ZDUSSCGKSA-N 1 2 273.336 1.407 20 30 CDEDLO COc1ccc(C[N@H+]2CCCC[C@H]2C(N)=O)cc1C#N ZINC000087833278 361778864 /nfs/dbraw/zinc/77/88/64/361778864.db2.gz DEZFXNHRQNUMDE-ZDUSSCGKSA-N 1 2 273.336 1.407 20 30 CDEDLO CCC(C#N)(CC)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000599248228 343989074 /nfs/dbraw/zinc/98/90/74/343989074.db2.gz YMIOBBKWLZBLJX-UHFFFAOYSA-N 1 2 281.400 1.543 20 30 CDEDLO CCC(C#N)(CC)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000599248228 343989077 /nfs/dbraw/zinc/98/90/77/343989077.db2.gz YMIOBBKWLZBLJX-UHFFFAOYSA-N 1 2 281.400 1.543 20 30 CDEDLO N#C[C@@H](c1ccc(F)cc1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000611552042 346822123 /nfs/dbraw/zinc/82/21/23/346822123.db2.gz NPMIUYIREGMBJS-HNNXBMFYSA-N 1 2 299.353 1.931 20 30 CDEDLO Cc1cc(N2CC[C@@H](n3cncn3)C2)c(C#N)c[nH+]1 ZINC000591823046 342647684 /nfs/dbraw/zinc/64/76/84/342647684.db2.gz HIHFHCVSSORNTQ-GFCCVEGCSA-N 1 2 254.297 1.305 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNc1ncncc1C#N)CCC2 ZINC000591924253 342658660 /nfs/dbraw/zinc/65/86/60/342658660.db2.gz FGFJCYLFAUFVLU-LLVKDONJSA-N 1 2 268.324 1.265 20 30 CDEDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592152103 342669156 /nfs/dbraw/zinc/66/91/56/342669156.db2.gz UFVILNXDBRFCIL-GXFFZTMASA-N 1 2 254.330 1.067 20 30 CDEDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592152103 342669157 /nfs/dbraw/zinc/66/91/57/342669157.db2.gz UFVILNXDBRFCIL-GXFFZTMASA-N 1 2 254.330 1.067 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)N1CCc2[nH+]c[nH]c2C1 ZINC000625438731 342161989 /nfs/dbraw/zinc/16/19/89/342161989.db2.gz VKSRAJQOSPTVFF-GFCCVEGCSA-N 1 2 274.368 1.357 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@@H](C)CO1 ZINC000593061093 342760948 /nfs/dbraw/zinc/76/09/48/342760948.db2.gz HOSOIBUTFPTIBB-HZSPNIEDSA-N 1 2 281.400 1.494 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@@H](C)CO1 ZINC000593061093 342760949 /nfs/dbraw/zinc/76/09/49/342760949.db2.gz HOSOIBUTFPTIBB-HZSPNIEDSA-N 1 2 281.400 1.494 20 30 CDEDLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000593660532 342819796 /nfs/dbraw/zinc/81/97/96/342819796.db2.gz IRYXCOFSCRAJQX-AWEZNQCLSA-N 1 2 299.378 1.990 20 30 CDEDLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000593660532 342819798 /nfs/dbraw/zinc/81/97/98/342819798.db2.gz IRYXCOFSCRAJQX-AWEZNQCLSA-N 1 2 299.378 1.990 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000593521457 342806316 /nfs/dbraw/zinc/80/63/16/342806316.db2.gz IBKGSHXFNDSPLU-XQQFMLRXSA-N 1 2 260.341 1.842 20 30 CDEDLO CC[C@H](C#N)C(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000593750839 342832416 /nfs/dbraw/zinc/83/24/16/342832416.db2.gz AFOJBQLLWGYBJG-GFCCVEGCSA-N 1 2 270.336 1.851 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000193352645 539088719 /nfs/dbraw/zinc/08/87/19/539088719.db2.gz UAQBGNXFYOISEN-UHFFFAOYSA-N 1 2 271.364 1.489 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CC[C@@](F)(C(=O)OC)C2)cc1 ZINC000093887883 342236227 /nfs/dbraw/zinc/23/62/27/342236227.db2.gz QVXGFXZLRFFIEY-INIZCTEOSA-N 1 2 291.322 1.786 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CC[C@@](F)(C(=O)OC)C2)cc1 ZINC000093887883 342236228 /nfs/dbraw/zinc/23/62/28/342236228.db2.gz QVXGFXZLRFFIEY-INIZCTEOSA-N 1 2 291.322 1.786 20 30 CDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000619433366 349705133 /nfs/dbraw/zinc/70/51/33/349705133.db2.gz SUCOPSYWWADZBP-AWEZNQCLSA-N 1 2 289.383 1.035 20 30 CDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000619433366 349705135 /nfs/dbraw/zinc/70/51/35/349705135.db2.gz SUCOPSYWWADZBP-AWEZNQCLSA-N 1 2 289.383 1.035 20 30 CDEDLO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1nc(C(N)=O)cs1)CC2 ZINC000595083618 343002986 /nfs/dbraw/zinc/00/29/86/343002986.db2.gz BEDPLOXXXHCFIR-LBPRGKRZSA-N 1 2 298.371 1.891 20 30 CDEDLO CC[N@H+](CCC#N)CCc1nnn(C(C)(C)C)n1 ZINC000595335621 343028844 /nfs/dbraw/zinc/02/88/44/343028844.db2.gz VZRHGNDYTHYDBO-UHFFFAOYSA-N 1 2 250.350 1.206 20 30 CDEDLO CC[N@@H+](CCC#N)CCc1nnn(C(C)(C)C)n1 ZINC000595335621 343028845 /nfs/dbraw/zinc/02/88/45/343028845.db2.gz VZRHGNDYTHYDBO-UHFFFAOYSA-N 1 2 250.350 1.206 20 30 CDEDLO CCc1nocc1C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000595397027 343047810 /nfs/dbraw/zinc/04/78/10/343047810.db2.gz HDEXZVDOXNOLGJ-OAHLLOKOSA-N 1 2 276.384 1.903 20 30 CDEDLO CCOC(=O)C1([S@](C)=O)CC[NH+](CCCC#N)CC1 ZINC000595506423 343080134 /nfs/dbraw/zinc/08/01/34/343080134.db2.gz HNBCKFFSJLAXTN-IBGZPJMESA-N 1 2 286.397 1.066 20 30 CDEDLO COC(=O)c1cccc(CN(C)Cc2c[nH+]c[nH]2)c1C#N ZINC000595591425 343095331 /nfs/dbraw/zinc/09/53/31/343095331.db2.gz HHCVAGIAUDVDAJ-UHFFFAOYSA-N 1 2 284.319 1.700 20 30 CDEDLO COC(=O)c1cccc(CN(C)Cc2c[nH]c[nH+]2)c1C#N ZINC000595591425 343095333 /nfs/dbraw/zinc/09/53/33/343095333.db2.gz HHCVAGIAUDVDAJ-UHFFFAOYSA-N 1 2 284.319 1.700 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](Cc2nnc3n2CCCC3)C1 ZINC000595623510 343112301 /nfs/dbraw/zinc/11/23/01/343112301.db2.gz RZJGRAWLSIIRQM-LBPRGKRZSA-N 1 2 259.357 1.740 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nnc3n2CCCC3)C1 ZINC000595623510 343112302 /nfs/dbraw/zinc/11/23/02/343112302.db2.gz RZJGRAWLSIIRQM-LBPRGKRZSA-N 1 2 259.357 1.740 20 30 CDEDLO N#CC1(C(=O)N2CC[NH+](Cc3cccnc3)CC2)CCC1 ZINC000134558401 342358773 /nfs/dbraw/zinc/35/87/73/342358773.db2.gz XRHHJSRRAIGEIJ-UHFFFAOYSA-N 1 2 284.363 1.420 20 30 CDEDLO Cn1ncc(C#N)c1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000596064690 343223726 /nfs/dbraw/zinc/22/37/26/343223726.db2.gz HNAPSYTVAPRIQN-UHFFFAOYSA-N 1 2 298.350 1.135 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1ccsc1 ZINC000573420345 334936416 /nfs/dbraw/zinc/93/64/16/334936416.db2.gz ZZVPBAMSZMWCAX-ZDUSSCGKSA-N 1 2 265.382 1.641 20 30 CDEDLO C[C@@H](Nc1nc(C#N)c(Cl)s1)c1[nH+]ccn1C ZINC000596541591 343346358 /nfs/dbraw/zinc/34/63/58/343346358.db2.gz HXZYXMFSMBZFMV-ZCFIWIBFSA-N 1 2 267.745 1.997 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1CC[C@](F)(C(=O)OC)C1 ZINC000093887941 342427093 /nfs/dbraw/zinc/42/70/93/342427093.db2.gz DGZMINRQAYPGEL-MRXNPFEDSA-N 1 2 291.322 1.786 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1CC[C@](F)(C(=O)OC)C1 ZINC000093887941 342427094 /nfs/dbraw/zinc/42/70/94/342427094.db2.gz DGZMINRQAYPGEL-MRXNPFEDSA-N 1 2 291.322 1.786 20 30 CDEDLO N#CC1(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000444725220 362200280 /nfs/dbraw/zinc/20/02/80/362200280.db2.gz MQGTZDIYNDPZDB-UWVGGRQHSA-N 1 2 262.275 1.925 20 30 CDEDLO N#CC1(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000444725220 362200285 /nfs/dbraw/zinc/20/02/85/362200285.db2.gz MQGTZDIYNDPZDB-UWVGGRQHSA-N 1 2 262.275 1.925 20 30 CDEDLO CC(C)(C)[C@@H](C#N)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000597350519 343509277 /nfs/dbraw/zinc/50/92/77/343509277.db2.gz KKEILKGIKYKVKB-CMPLNLGQSA-N 1 2 260.341 1.500 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]1(C#N)CC1(C)C ZINC000597669877 343601500 /nfs/dbraw/zinc/60/15/00/343601500.db2.gz GDWZZYZLAWXGFF-RULNRJAQSA-N 1 2 258.325 1.332 20 30 CDEDLO N#Cc1cccc2c1CCN2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000597787984 343635237 /nfs/dbraw/zinc/63/52/37/343635237.db2.gz HREADQYGONRYGC-CYBMUJFWSA-N 1 2 292.342 1.906 20 30 CDEDLO N#Cc1ccc2c(c1)CCN2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000597772172 343630744 /nfs/dbraw/zinc/63/07/44/343630744.db2.gz JTEWPGRXOOKHNW-CQSZACIVSA-N 1 2 292.342 1.906 20 30 CDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597863283 343661573 /nfs/dbraw/zinc/66/15/73/343661573.db2.gz MUYAHSYHWDOGKJ-NSHDSACASA-N 1 2 284.319 1.707 20 30 CDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597863283 343661574 /nfs/dbraw/zinc/66/15/74/343661574.db2.gz MUYAHSYHWDOGKJ-NSHDSACASA-N 1 2 284.319 1.707 20 30 CDEDLO Cc1c[nH]c(CN2CCN(c3cnccc3C#N)CC2)[nH+]1 ZINC000600161071 349838857 /nfs/dbraw/zinc/83/88/57/349838857.db2.gz GWIVATLFLQKGGU-UHFFFAOYSA-N 1 2 282.351 1.307 20 30 CDEDLO C[C@@H](C#N)N(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000598135575 343724904 /nfs/dbraw/zinc/72/49/04/343724904.db2.gz YKHDUDAJVVZOKF-WDEREUQCSA-N 1 2 258.325 1.349 20 30 CDEDLO C=C[C@H]([NH2+]CCCc1ccc(OC)cc1)C(=O)OC ZINC000619700574 349857390 /nfs/dbraw/zinc/85/73/90/349857390.db2.gz CHEDFXHLYWXJNY-AWEZNQCLSA-N 1 2 263.337 1.945 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCc2ccc(OC)cc2CC1 ZINC000619719754 349869405 /nfs/dbraw/zinc/86/94/05/349869405.db2.gz AQCAIMGMQBASFJ-OAHLLOKOSA-N 1 2 275.348 1.823 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCc2ccc(OC)cc2CC1 ZINC000619719754 349869408 /nfs/dbraw/zinc/86/94/08/349869408.db2.gz AQCAIMGMQBASFJ-OAHLLOKOSA-N 1 2 275.348 1.823 20 30 CDEDLO Cn1cnc2c1CC[N@H+](C[C@H](O)CC(C)(C)C#N)C2 ZINC000598590411 343837678 /nfs/dbraw/zinc/83/76/78/343837678.db2.gz XWAHIBTXHXUUNA-LLVKDONJSA-N 1 2 262.357 1.079 20 30 CDEDLO Cn1cnc2c1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C2 ZINC000598590411 343837679 /nfs/dbraw/zinc/83/76/79/343837679.db2.gz XWAHIBTXHXUUNA-LLVKDONJSA-N 1 2 262.357 1.079 20 30 CDEDLO Cn1c[nH+]c2c1CCN(C[C@H](O)CC(C)(C)C#N)C2 ZINC000598590411 343837680 /nfs/dbraw/zinc/83/76/80/343837680.db2.gz XWAHIBTXHXUUNA-LLVKDONJSA-N 1 2 262.357 1.079 20 30 CDEDLO Cc1nc([C@H]2CCC[N@@H+]2C[C@@H](O)CC(C)(C)C#N)no1 ZINC000598591661 343837933 /nfs/dbraw/zinc/83/79/33/343837933.db2.gz XYIMLKZSBCZBOK-NWDGAFQWSA-N 1 2 278.356 1.816 20 30 CDEDLO Cc1nc([C@H]2CCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)no1 ZINC000598591661 343837936 /nfs/dbraw/zinc/83/79/36/343837936.db2.gz XYIMLKZSBCZBOK-NWDGAFQWSA-N 1 2 278.356 1.816 20 30 CDEDLO CO[C@@H](C)c1noc(C[N@H+](C)C[C@H](O)CC(C)(C)C#N)n1 ZINC000598591996 343837983 /nfs/dbraw/zinc/83/79/83/343837983.db2.gz DIMZVOVYVZCULJ-WDEREUQCSA-N 1 2 296.371 1.510 20 30 CDEDLO CO[C@@H](C)c1noc(C[N@@H+](C)C[C@H](O)CC(C)(C)C#N)n1 ZINC000598591996 343837985 /nfs/dbraw/zinc/83/79/85/343837985.db2.gz DIMZVOVYVZCULJ-WDEREUQCSA-N 1 2 296.371 1.510 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1CCC2(CC2)CC1 ZINC000598837668 343915235 /nfs/dbraw/zinc/91/52/35/343915235.db2.gz XXCVBGMIMDGKFH-AWEZNQCLSA-N 1 2 263.385 1.917 20 30 CDEDLO N#CC[N@H+](CCOC[C@@H]1CCCO1)C1CCCC1 ZINC000152584097 347038052 /nfs/dbraw/zinc/03/80/52/347038052.db2.gz XQEANOBDCKTFGD-AWEZNQCLSA-N 1 2 252.358 1.950 20 30 CDEDLO N#CC[N@@H+](CCOC[C@@H]1CCCO1)C1CCCC1 ZINC000152584097 347038055 /nfs/dbraw/zinc/03/80/55/347038055.db2.gz XQEANOBDCKTFGD-AWEZNQCLSA-N 1 2 252.358 1.950 20 30 CDEDLO N#CC1(C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000602644553 344513410 /nfs/dbraw/zinc/51/34/10/344513410.db2.gz YFFZULVXCLEYDX-UHFFFAOYSA-N 1 2 299.783 1.381 20 30 CDEDLO Cc1nc(NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N)sc1C ZINC000602868197 344639580 /nfs/dbraw/zinc/63/95/80/344639580.db2.gz HTNUCBSESUXPCY-CBAPKCEASA-N 1 2 266.370 1.979 20 30 CDEDLO C=C[C@@H](CO)[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000289917471 362502707 /nfs/dbraw/zinc/50/27/07/362502707.db2.gz SCWRMMWJWMQFHF-LURJTMIESA-N 1 2 252.261 1.798 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000120569875 362571779 /nfs/dbraw/zinc/57/17/79/362571779.db2.gz KXBMCLBXZDXYFL-GFCCVEGCSA-N 1 2 259.309 1.017 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000120569875 362571790 /nfs/dbraw/zinc/57/17/90/362571790.db2.gz KXBMCLBXZDXYFL-GFCCVEGCSA-N 1 2 259.309 1.017 20 30 CDEDLO CC(C)COC[C@H](O)C[N@H+](CC#N)C1CCCC1 ZINC000151129965 345298835 /nfs/dbraw/zinc/29/88/35/345298835.db2.gz YQWFFDUUGJJWCJ-CQSZACIVSA-N 1 2 254.374 1.788 20 30 CDEDLO CC(C)COC[C@H](O)C[N@@H+](CC#N)C1CCCC1 ZINC000151129965 345298836 /nfs/dbraw/zinc/29/88/36/345298836.db2.gz YQWFFDUUGJJWCJ-CQSZACIVSA-N 1 2 254.374 1.788 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618891164 345421398 /nfs/dbraw/zinc/42/13/98/345421398.db2.gz SSHKSLLQNUAONJ-OAHLLOKOSA-N 1 2 280.331 1.638 20 30 CDEDLO C=CCC1(C(=O)N2CC[NH+](CCO)CC2)CCCC1 ZINC000449233662 362635429 /nfs/dbraw/zinc/63/54/29/362635429.db2.gz ZMKZFCDWSGILMC-UHFFFAOYSA-N 1 2 266.385 1.259 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617721598 345926330 /nfs/dbraw/zinc/92/63/30/345926330.db2.gz ROKVALVBCUVBJA-NEPJUHHUSA-N 1 2 254.374 1.424 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617721598 345926331 /nfs/dbraw/zinc/92/63/31/345926331.db2.gz ROKVALVBCUVBJA-NEPJUHHUSA-N 1 2 254.374 1.424 20 30 CDEDLO C=CCOc1ccccc1C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000449523517 362743566 /nfs/dbraw/zinc/74/35/66/362743566.db2.gz LNYMNJGJEFWAGL-LBPRGKRZSA-N 1 2 260.337 1.572 20 30 CDEDLO C=CCOc1ccccc1C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000449523517 362743569 /nfs/dbraw/zinc/74/35/69/362743569.db2.gz LNYMNJGJEFWAGL-LBPRGKRZSA-N 1 2 260.337 1.572 20 30 CDEDLO Cc1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)o1 ZINC000610888306 346482851 /nfs/dbraw/zinc/48/28/51/346482851.db2.gz IWKHRTGWVYTCHV-PWSUYJOCSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1cnc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)o1 ZINC000610888306 346482854 /nfs/dbraw/zinc/48/28/54/346482854.db2.gz IWKHRTGWVYTCHV-PWSUYJOCSA-N 1 2 276.340 1.175 20 30 CDEDLO COCC#CC[N@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000611080208 346601096 /nfs/dbraw/zinc/60/10/96/346601096.db2.gz IGARKTLKTNVNLU-UHFFFAOYSA-N 1 2 265.309 1.456 20 30 CDEDLO COCC#CC[N@@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000611080208 346601098 /nfs/dbraw/zinc/60/10/98/346601098.db2.gz IGARKTLKTNVNLU-UHFFFAOYSA-N 1 2 265.309 1.456 20 30 CDEDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N)cn1 ZINC000611140059 346618250 /nfs/dbraw/zinc/61/82/50/346618250.db2.gz QWBPBBAHIKYUJX-LBPRGKRZSA-N 1 2 290.367 1.283 20 30 CDEDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N)cn1 ZINC000611140059 346618253 /nfs/dbraw/zinc/61/82/53/346618253.db2.gz QWBPBBAHIKYUJX-LBPRGKRZSA-N 1 2 290.367 1.283 20 30 CDEDLO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(CCC#N)CC1 ZINC000611174357 346627817 /nfs/dbraw/zinc/62/78/17/346627817.db2.gz CPCRBQXMBOEOOG-OAHLLOKOSA-N 1 2 292.427 1.165 20 30 CDEDLO N#CC1(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)CCC1 ZINC000450495706 362828248 /nfs/dbraw/zinc/82/82/48/362828248.db2.gz BCHGGUUJQZZZQU-ZDUSSCGKSA-N 1 2 297.424 1.180 20 30 CDEDLO N#CC1(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)CCC1 ZINC000450495706 362828254 /nfs/dbraw/zinc/82/82/54/362828254.db2.gz BCHGGUUJQZZZQU-ZDUSSCGKSA-N 1 2 297.424 1.180 20 30 CDEDLO C=CC[N@H+]([C@H]1CCS(=O)(=O)C1)[C@H]1C=CCCC1 ZINC000066560501 347491519 /nfs/dbraw/zinc/49/15/19/347491519.db2.gz XVOJEDHNFZIDJG-STQMWFEESA-N 1 2 255.383 1.770 20 30 CDEDLO C=CC[N@@H+]([C@H]1CCS(=O)(=O)C1)[C@H]1C=CCCC1 ZINC000066560501 347491523 /nfs/dbraw/zinc/49/15/23/347491523.db2.gz XVOJEDHNFZIDJG-STQMWFEESA-N 1 2 255.383 1.770 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(CC)c2)CC1 ZINC000490779121 347577558 /nfs/dbraw/zinc/57/75/58/347577558.db2.gz RHUMUFSOLPGYMK-UHFFFAOYSA-N 1 2 286.375 1.405 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCCO[C@@H]1CCCCO1 ZINC000491299156 347580127 /nfs/dbraw/zinc/58/01/27/347580127.db2.gz YPUOWONFNBLOHE-UONOGXRCSA-N 1 2 253.342 1.254 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCCO[C@@H]1CCCCO1 ZINC000491299156 347580128 /nfs/dbraw/zinc/58/01/28/347580128.db2.gz YPUOWONFNBLOHE-UONOGXRCSA-N 1 2 253.342 1.254 20 30 CDEDLO C#C[C@H]1COCCN1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000491496235 347583213 /nfs/dbraw/zinc/58/32/13/347583213.db2.gz OZQGLCFTANKTEB-ZDUSSCGKSA-N 1 2 275.739 1.822 20 30 CDEDLO C=C[C@H](NCC[N@@H+]1CCc2sccc2C1)C(=O)OC ZINC000619700933 347870188 /nfs/dbraw/zinc/87/01/88/347870188.db2.gz QHZCCAGWXJHTTI-LBPRGKRZSA-N 1 2 280.393 1.423 20 30 CDEDLO C=C[C@H](NCC[N@H+]1CCc2sccc2C1)C(=O)OC ZINC000619700933 347870189 /nfs/dbraw/zinc/87/01/89/347870189.db2.gz QHZCCAGWXJHTTI-LBPRGKRZSA-N 1 2 280.393 1.423 20 30 CDEDLO CCN1CC[N@H+](Cc2ccc(C#N)cc2C)CC1=O ZINC000614406065 348101728 /nfs/dbraw/zinc/10/17/28/348101728.db2.gz QMINHFMBSFRNTC-UHFFFAOYSA-N 1 2 257.337 1.531 20 30 CDEDLO CCN1CC[N@@H+](Cc2ccc(C#N)cc2C)CC1=O ZINC000614406065 348101731 /nfs/dbraw/zinc/10/17/31/348101731.db2.gz QMINHFMBSFRNTC-UHFFFAOYSA-N 1 2 257.337 1.531 20 30 CDEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000614396118 348087128 /nfs/dbraw/zinc/08/71/28/348087128.db2.gz XBELIKSBJUHUAM-UHFFFAOYSA-N 1 2 283.375 1.921 20 30 CDEDLO C#CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000024201819 348545795 /nfs/dbraw/zinc/54/57/95/348545795.db2.gz UTLSGJXBQRXUGG-UHFFFAOYSA-N 1 2 270.292 1.222 20 30 CDEDLO CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000615768514 348714298 /nfs/dbraw/zinc/71/42/98/348714298.db2.gz BZJIKDKEYIUFCV-MNOVXSKESA-N 1 2 260.341 1.500 20 30 CDEDLO C=CCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000045857623 348779922 /nfs/dbraw/zinc/77/99/22/348779922.db2.gz UCSYGAQFMUZBGO-HNNXBMFYSA-N 1 2 289.379 1.545 20 30 CDEDLO CCOC(=O)[C@H](CC)[N@H+](CC#CCOC)C1CC1 ZINC000615814302 348764990 /nfs/dbraw/zinc/76/49/90/348764990.db2.gz YXQGDPZEHIQKKV-ZDUSSCGKSA-N 1 2 253.342 1.442 20 30 CDEDLO CCOC(=O)[C@H](CC)[N@@H+](CC#CCOC)C1CC1 ZINC000615814302 348764993 /nfs/dbraw/zinc/76/49/93/348764993.db2.gz YXQGDPZEHIQKKV-ZDUSSCGKSA-N 1 2 253.342 1.442 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000069314752 349098279 /nfs/dbraw/zinc/09/82/79/349098279.db2.gz SWTWDBWBDRSMFK-AWEZNQCLSA-N 1 2 289.379 1.711 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)n1 ZINC000602443034 350110794 /nfs/dbraw/zinc/11/07/94/350110794.db2.gz GEGMWLCBYNHEQA-CQSZACIVSA-N 1 2 270.336 1.196 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)n1 ZINC000602443034 350110798 /nfs/dbraw/zinc/11/07/98/350110798.db2.gz GEGMWLCBYNHEQA-CQSZACIVSA-N 1 2 270.336 1.196 20 30 CDEDLO COCCN1CC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CC1=O ZINC000091832466 180266858 /nfs/dbraw/zinc/26/68/58/180266858.db2.gz LSTBSWPXVUHKER-ZDUSSCGKSA-N 1 2 287.363 1.410 20 30 CDEDLO COCCN1CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)CC1=O ZINC000091832466 180266862 /nfs/dbraw/zinc/26/68/62/180266862.db2.gz LSTBSWPXVUHKER-ZDUSSCGKSA-N 1 2 287.363 1.410 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620595575 350272097 /nfs/dbraw/zinc/27/20/97/350272097.db2.gz LCZLBAFESBXBJP-QWRGUYRKSA-N 1 2 251.330 1.579 20 30 CDEDLO Cn1nc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1C1CC1 ZINC000330327636 282797755 /nfs/dbraw/zinc/79/77/55/282797755.db2.gz VQINKLACBCIBEY-NSHDSACASA-N 1 2 285.351 1.814 20 30 CDEDLO C#CCN(C)C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000292211356 198203305 /nfs/dbraw/zinc/20/33/05/198203305.db2.gz CUJRGLWPJGRVLD-UHFFFAOYSA-N 1 2 274.368 1.702 20 30 CDEDLO COc1ccc(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)cc1C#N ZINC000168019867 363200145 /nfs/dbraw/zinc/20/01/45/363200145.db2.gz CIAXGZRFNUYMCN-FZMZJTMJSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1ccc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)cc1C#N ZINC000168019867 363200151 /nfs/dbraw/zinc/20/01/51/363200151.db2.gz CIAXGZRFNUYMCN-FZMZJTMJSA-N 1 2 276.336 1.148 20 30 CDEDLO CC[N@H+](CCOc1cccc(C#N)c1)CCS(C)(=O)=O ZINC000154319614 188135818 /nfs/dbraw/zinc/13/58/18/188135818.db2.gz NMAHLRVWZSBDBN-UHFFFAOYSA-N 1 2 296.392 1.304 20 30 CDEDLO CC[N@@H+](CCOc1cccc(C#N)c1)CCS(C)(=O)=O ZINC000154319614 188135820 /nfs/dbraw/zinc/13/58/20/188135820.db2.gz NMAHLRVWZSBDBN-UHFFFAOYSA-N 1 2 296.392 1.304 20 30 CDEDLO C[C@H](O)C[C@@H]1COCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000156967610 188290650 /nfs/dbraw/zinc/29/06/50/188290650.db2.gz IBHDWAXNYYKSQM-XJKSGUPXSA-N 1 2 277.339 1.649 20 30 CDEDLO C[C@H](O)C[C@@H]1COCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000156967610 188290652 /nfs/dbraw/zinc/29/06/52/188290652.db2.gz IBHDWAXNYYKSQM-XJKSGUPXSA-N 1 2 277.339 1.649 20 30 CDEDLO N#Cc1ccc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000157074574 188295721 /nfs/dbraw/zinc/29/57/21/188295721.db2.gz OHNFOTNJIXZIQT-LLVKDONJSA-N 1 2 296.417 1.771 20 30 CDEDLO N#Cc1ccc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000157074574 188295722 /nfs/dbraw/zinc/29/57/22/188295722.db2.gz OHNFOTNJIXZIQT-LLVKDONJSA-N 1 2 296.417 1.771 20 30 CDEDLO Cn1cnnc1[C@H]1CCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000157135913 188299470 /nfs/dbraw/zinc/29/94/70/188299470.db2.gz AWADOQLZFILWIG-OAHLLOKOSA-N 1 2 297.362 1.903 20 30 CDEDLO Cn1cnnc1[C@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000157135913 188299471 /nfs/dbraw/zinc/29/94/71/188299471.db2.gz AWADOQLZFILWIG-OAHLLOKOSA-N 1 2 297.362 1.903 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000158289354 188368437 /nfs/dbraw/zinc/36/84/37/188368437.db2.gz UOPUCMRPQHBOIK-AWEZNQCLSA-N 1 2 275.327 1.750 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000158289354 188368438 /nfs/dbraw/zinc/36/84/38/188368438.db2.gz UOPUCMRPQHBOIK-AWEZNQCLSA-N 1 2 275.327 1.750 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000355498000 366106539 /nfs/dbraw/zinc/10/65/39/366106539.db2.gz YMIQVTANGYWEGE-GUTXKFCHSA-N 1 2 281.400 1.494 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000355498000 366106541 /nfs/dbraw/zinc/10/65/41/366106541.db2.gz YMIQVTANGYWEGE-GUTXKFCHSA-N 1 2 281.400 1.494 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC000642097562 366146247 /nfs/dbraw/zinc/14/62/47/366146247.db2.gz IRNVOEDWCCPZCS-CYBMUJFWSA-N 1 2 295.427 1.258 20 30 CDEDLO CCn1cc[nH+]c1/C=C\C(=O)N=c1ccn(CCC#N)[nH]1 ZINC000492493897 366167842 /nfs/dbraw/zinc/16/78/42/366167842.db2.gz PCHXAQCYAFQDPP-PLNGDYQASA-N 1 2 284.323 1.087 20 30 CDEDLO Cc1ncccc1/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000493183041 366196140 /nfs/dbraw/zinc/19/61/40/366196140.db2.gz FGDOQNOFVPAMJL-LZNQSLFOSA-N 1 2 272.352 1.363 20 30 CDEDLO C#CC[C@H]([NH2+]Cc1nnnn1C1CC1)c1ccccc1 ZINC000271745118 191303028 /nfs/dbraw/zinc/30/30/28/191303028.db2.gz WJDRBZUJZHNVCI-AWEZNQCLSA-N 1 2 267.336 1.862 20 30 CDEDLO N#Cc1ccc(CN2CC[NH+](CCc3c[nH]nn3)CC2)cc1 ZINC000590604694 358488876 /nfs/dbraw/zinc/48/88/76/358488876.db2.gz NZBFKPGXHLGIIR-UHFFFAOYSA-N 1 2 296.378 1.037 20 30 CDEDLO CC(C)[C@H](C)NC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081043841 356004078 /nfs/dbraw/zinc/00/40/78/356004078.db2.gz OTXFUZKHNCTTST-LBPRGKRZSA-N 1 2 251.374 1.773 20 30 CDEDLO CC(C)[C@H](C)NC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081043841 356004081 /nfs/dbraw/zinc/00/40/81/356004081.db2.gz OTXFUZKHNCTTST-LBPRGKRZSA-N 1 2 251.374 1.773 20 30 CDEDLO CCCC[N@H+](CC(N)=O)Cc1cccc(C#N)c1F ZINC000219516525 356367156 /nfs/dbraw/zinc/36/71/56/356367156.db2.gz MGGXDOYFCVYRNX-UHFFFAOYSA-N 1 2 263.316 1.785 20 30 CDEDLO CCCC[N@@H+](CC(N)=O)Cc1cccc(C#N)c1F ZINC000219516525 356367157 /nfs/dbraw/zinc/36/71/57/356367157.db2.gz MGGXDOYFCVYRNX-UHFFFAOYSA-N 1 2 263.316 1.785 20 30 CDEDLO Cn1cnnc1C[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000336862961 356411595 /nfs/dbraw/zinc/41/15/95/356411595.db2.gz HCUQGIBNHHMDMF-UHFFFAOYSA-N 1 2 298.350 1.147 20 30 CDEDLO Cn1cnnc1C[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000336862961 356411601 /nfs/dbraw/zinc/41/16/01/356411601.db2.gz HCUQGIBNHHMDMF-UHFFFAOYSA-N 1 2 298.350 1.147 20 30 CDEDLO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000578690657 356776798 /nfs/dbraw/zinc/77/67/98/356776798.db2.gz FFLHPMRXTYVIKW-ZDUSSCGKSA-N 1 2 273.336 1.430 20 30 CDEDLO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000578690657 356776809 /nfs/dbraw/zinc/77/68/09/356776809.db2.gz FFLHPMRXTYVIKW-ZDUSSCGKSA-N 1 2 273.336 1.430 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1cncc(F)c1 ZINC000493438416 366370632 /nfs/dbraw/zinc/37/06/32/366370632.db2.gz XPODULOMEITCLE-ZRUQZJFASA-N 1 2 276.315 1.194 20 30 CDEDLO COC(=O)[C@H](C)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344095571 356887712 /nfs/dbraw/zinc/88/77/12/356887712.db2.gz BFGGJZGVUXJACX-LBPRGKRZSA-N 1 2 276.336 1.568 20 30 CDEDLO COC(=O)[C@H](C)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344095571 356887714 /nfs/dbraw/zinc/88/77/14/356887714.db2.gz BFGGJZGVUXJACX-LBPRGKRZSA-N 1 2 276.336 1.568 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000299408763 357056678 /nfs/dbraw/zinc/05/66/78/357056678.db2.gz VRIRIMCSBWQURJ-CYBMUJFWSA-N 1 2 288.778 1.913 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000299258318 357002475 /nfs/dbraw/zinc/00/24/75/357002475.db2.gz GKGPPIWICXEPCP-VXGBXAGGSA-N 1 2 251.330 1.369 20 30 CDEDLO C[N@H+](CCN1CCOCC1)Cc1ccc(Cl)cc1C#N ZINC000186944639 357709247 /nfs/dbraw/zinc/70/92/47/357709247.db2.gz KXTXABDRHNEIMO-UHFFFAOYSA-N 1 2 293.798 1.976 20 30 CDEDLO C[N@@H+](CCN1CCOCC1)Cc1ccc(Cl)cc1C#N ZINC000186944639 357709253 /nfs/dbraw/zinc/70/92/53/357709253.db2.gz KXTXABDRHNEIMO-UHFFFAOYSA-N 1 2 293.798 1.976 20 30 CDEDLO CN(CC[NH+]1CCOCC1)Cc1ccc(Cl)cc1C#N ZINC000186944639 357709256 /nfs/dbraw/zinc/70/92/56/357709256.db2.gz KXTXABDRHNEIMO-UHFFFAOYSA-N 1 2 293.798 1.976 20 30 CDEDLO COCCO[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000189669023 358034580 /nfs/dbraw/zinc/03/45/80/358034580.db2.gz MMIMQBRPVIRPNA-OAHLLOKOSA-N 1 2 278.327 1.935 20 30 CDEDLO COCCO[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000189669023 358034583 /nfs/dbraw/zinc/03/45/83/358034583.db2.gz MMIMQBRPVIRPNA-OAHLLOKOSA-N 1 2 278.327 1.935 20 30 CDEDLO Cn1cnnc1C[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000287016694 358081071 /nfs/dbraw/zinc/08/10/71/358081071.db2.gz RCQXAHFXVFPTGL-UHFFFAOYSA-N 1 2 271.324 1.198 20 30 CDEDLO Cn1cnnc1C[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000287016694 358081072 /nfs/dbraw/zinc/08/10/72/358081072.db2.gz RCQXAHFXVFPTGL-UHFFFAOYSA-N 1 2 271.324 1.198 20 30 CDEDLO COc1ccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)cc1C#N ZINC000294723634 199151945 /nfs/dbraw/zinc/15/19/45/199151945.db2.gz FQBNLQNGOKIMAK-UHFFFAOYSA-N 1 2 283.335 1.852 20 30 CDEDLO C=CCOc1cccc(NC(=O)[C@H]2COCC[NH2+]2)c1 ZINC000236681002 358798870 /nfs/dbraw/zinc/79/88/70/358798870.db2.gz MELLRRLYKCANEH-CYBMUJFWSA-N 1 2 262.309 1.178 20 30 CDEDLO N#Cc1cc(CN2CC[C@H]([NH+]3CCOCC3)C2)ccc1F ZINC000121537402 358904484 /nfs/dbraw/zinc/90/44/84/358904484.db2.gz BCABANJXXCKFBP-HNNXBMFYSA-N 1 2 289.354 1.604 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C#N)cc1 ZINC000046886759 359174711 /nfs/dbraw/zinc/17/47/11/359174711.db2.gz BMFAANJDQZLDJF-GFCCVEGCSA-N 1 2 273.336 1.009 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000270141933 359389130 /nfs/dbraw/zinc/38/91/30/359389130.db2.gz DNELMSSIBRWZIF-SECBINFHSA-N 1 2 262.275 1.872 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000270141933 359389136 /nfs/dbraw/zinc/38/91/36/359389136.db2.gz DNELMSSIBRWZIF-SECBINFHSA-N 1 2 262.275 1.872 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+]Cc1csc(CC)n1 ZINC000272849864 359469179 /nfs/dbraw/zinc/46/91/79/359469179.db2.gz OLFIAJSCTZDIEF-UHFFFAOYSA-N 1 2 274.411 1.396 20 30 CDEDLO C=CCNC(=O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC000272826831 359473083 /nfs/dbraw/zinc/47/30/83/359473083.db2.gz GDTKMRMUOFKABS-UHFFFAOYSA-N 1 2 260.341 1.378 20 30 CDEDLO C#CC[N@@H+](CC(=O)N1CCc2ccccc2C1)C1CC1 ZINC000274128365 359492730 /nfs/dbraw/zinc/49/27/30/359492730.db2.gz HXLRCXKDHDOZMH-UHFFFAOYSA-N 1 2 268.360 1.669 20 30 CDEDLO C#CC[N@H+](CC(=O)N1CCc2ccccc2C1)C1CC1 ZINC000274128365 359492734 /nfs/dbraw/zinc/49/27/34/359492734.db2.gz HXLRCXKDHDOZMH-UHFFFAOYSA-N 1 2 268.360 1.669 20 30 CDEDLO C#CCCCCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000277714595 359573632 /nfs/dbraw/zinc/57/36/32/359573632.db2.gz HFNRDSXMSIEDGU-UHFFFAOYSA-N 1 2 260.341 1.529 20 30 CDEDLO C#CCCCCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000277714595 359573635 /nfs/dbraw/zinc/57/36/35/359573635.db2.gz HFNRDSXMSIEDGU-UHFFFAOYSA-N 1 2 260.341 1.529 20 30 CDEDLO Cc1cc(CN2CC[NH+](Cc3ccc(C#N)cn3)CC2)no1 ZINC000572073081 359820764 /nfs/dbraw/zinc/82/07/64/359820764.db2.gz JBJHRTDSFULURD-UHFFFAOYSA-N 1 2 297.362 1.568 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000336802536 359845039 /nfs/dbraw/zinc/84/50/39/359845039.db2.gz UYWOEIRNYAJQHW-ZJUUUORDSA-N 1 2 277.290 1.774 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000336802536 359845046 /nfs/dbraw/zinc/84/50/46/359845046.db2.gz UYWOEIRNYAJQHW-ZJUUUORDSA-N 1 2 277.290 1.774 20 30 CDEDLO C=CC[C@@H](CO)NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000337068917 359983543 /nfs/dbraw/zinc/98/35/43/359983543.db2.gz LRRULEIQOXSODN-ZDUSSCGKSA-N 1 2 285.347 1.848 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1ccnn1C ZINC000348369939 360031529 /nfs/dbraw/zinc/03/15/29/360031529.db2.gz LMEVVJNIWZJTHG-ZDUSSCGKSA-N 1 2 276.384 1.441 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1ccnn1C ZINC000348369939 360031537 /nfs/dbraw/zinc/03/15/37/360031537.db2.gz LMEVVJNIWZJTHG-ZDUSSCGKSA-N 1 2 276.384 1.441 20 30 CDEDLO CC[C@H](C)[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC(=O)OC ZINC000337221656 360035177 /nfs/dbraw/zinc/03/51/77/360035177.db2.gz CKRXIBRYZTYFHU-WFASDCNBSA-N 1 2 297.399 1.314 20 30 CDEDLO CC[C@H](C)[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC(=O)OC ZINC000337221656 360035179 /nfs/dbraw/zinc/03/51/79/360035179.db2.gz CKRXIBRYZTYFHU-WFASDCNBSA-N 1 2 297.399 1.314 20 30 CDEDLO C#CCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000298317183 200393555 /nfs/dbraw/zinc/39/35/55/200393555.db2.gz IJOJXRNBHVMWBH-UHFFFAOYSA-N 1 2 258.325 1.114 20 30 CDEDLO CC(=O)CC(C)(C)CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000516090838 360562574 /nfs/dbraw/zinc/56/25/74/360562574.db2.gz IXLAPHNRQWINBE-UHFFFAOYSA-N 1 2 279.384 1.486 20 30 CDEDLO C=C(C)COCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000563216505 360765170 /nfs/dbraw/zinc/76/51/70/360765170.db2.gz HIQCOBCFPKXGSW-LBPRGKRZSA-N 1 2 251.330 1.543 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000247073881 360999069 /nfs/dbraw/zinc/99/90/69/360999069.db2.gz OSBNIYOVYWPQFD-FKIZINRSSA-N 1 2 294.420 1.547 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000247073881 360999073 /nfs/dbraw/zinc/99/90/73/360999073.db2.gz OSBNIYOVYWPQFD-FKIZINRSSA-N 1 2 294.420 1.547 20 30 CDEDLO CC(C)C[C@H]1COCC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000247076618 361000285 /nfs/dbraw/zinc/00/02/85/361000285.db2.gz VIENMRJYXNWFHM-GOEBONIOSA-N 1 2 293.411 1.542 20 30 CDEDLO CC(C)C[C@H]1COCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000247076618 361000290 /nfs/dbraw/zinc/00/02/90/361000290.db2.gz VIENMRJYXNWFHM-GOEBONIOSA-N 1 2 293.411 1.542 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNC(=O)NCC2(CC#N)CC2)CCO1 ZINC000431192805 360979791 /nfs/dbraw/zinc/97/97/91/360979791.db2.gz HXNCPTQIUVKIGJ-CYBMUJFWSA-N 1 2 294.399 1.090 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)NCC2(CC#N)CC2)CCO1 ZINC000431192805 360979798 /nfs/dbraw/zinc/97/97/98/360979798.db2.gz HXNCPTQIUVKIGJ-CYBMUJFWSA-N 1 2 294.399 1.090 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@](C)(F)C1 ZINC000335850709 360983111 /nfs/dbraw/zinc/98/31/11/360983111.db2.gz CEBXFBFTOFWPMY-JQWIXIFHSA-N 1 2 253.321 1.371 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@](C)(F)C1 ZINC000335850709 360983114 /nfs/dbraw/zinc/98/31/14/360983114.db2.gz CEBXFBFTOFWPMY-JQWIXIFHSA-N 1 2 253.321 1.371 20 30 CDEDLO CC(C)[NH+]1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000408457061 361129591 /nfs/dbraw/zinc/12/95/91/361129591.db2.gz NIARLSMLFHRIJF-UHFFFAOYSA-N 1 2 287.429 1.282 20 30 CDEDLO C=CCCC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000628826435 361173213 /nfs/dbraw/zinc/17/32/13/361173213.db2.gz PICBWELYPFRMGY-UHFFFAOYSA-N 1 2 276.384 1.825 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427988362 361316106 /nfs/dbraw/zinc/31/61/06/361316106.db2.gz CXFKWWVVZBRVEM-NEPJUHHUSA-N 1 2 263.341 1.295 20 30 CDEDLO C[C@@H](C#N)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000434374297 361323323 /nfs/dbraw/zinc/32/33/23/361323323.db2.gz PQUACVRUNWDIPS-ZDUSSCGKSA-N 1 2 282.347 1.902 20 30 CDEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nn1C(C)C ZINC000566308552 370680626 /nfs/dbraw/zinc/68/06/26/370680626.db2.gz IQBVMUCTIROHKA-AWEZNQCLSA-N 1 2 277.372 1.346 20 30 CDEDLO CC(C)NC(=O)C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191915208 361389778 /nfs/dbraw/zinc/38/97/78/361389778.db2.gz GFYFTEPKOHRMLX-UHFFFAOYSA-N 1 2 263.316 1.654 20 30 CDEDLO CC(C)NC(=O)C[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191915208 361389783 /nfs/dbraw/zinc/38/97/83/361389783.db2.gz GFYFTEPKOHRMLX-UHFFFAOYSA-N 1 2 263.316 1.654 20 30 CDEDLO N#Cc1cc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)ccn1 ZINC000367441791 361420284 /nfs/dbraw/zinc/42/02/84/361420284.db2.gz AFDHPATWFQQJRY-CQSZACIVSA-N 1 2 283.335 1.626 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CC1(O)CCC1 ZINC000353487673 291276005 /nfs/dbraw/zinc/27/60/05/291276005.db2.gz NEXOCQTZOZPCHS-CQSZACIVSA-N 1 2 288.347 1.619 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC1(O)CCC1 ZINC000353487673 291276009 /nfs/dbraw/zinc/27/60/09/291276009.db2.gz NEXOCQTZOZPCHS-CQSZACIVSA-N 1 2 288.347 1.619 20 30 CDEDLO C#CCC(C)(C)C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000184195850 189379201 /nfs/dbraw/zinc/37/92/01/189379201.db2.gz AXNJWZAFQWRXDB-GFCCVEGCSA-N 1 2 293.436 1.671 20 30 CDEDLO CCCc1nc(C(=O)N[C@](C)(C#N)C[NH+](C)C)co1 ZINC000570635747 363838558 /nfs/dbraw/zinc/83/85/58/363838558.db2.gz UZVAIUFYNHTYGB-CYBMUJFWSA-N 1 2 264.329 1.201 20 30 CDEDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000148887589 364446156 /nfs/dbraw/zinc/44/61/56/364446156.db2.gz MOXUSBYRKPCNEA-CQSZACIVSA-N 1 2 274.320 1.322 20 30 CDEDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000148887589 364446164 /nfs/dbraw/zinc/44/61/64/364446164.db2.gz MOXUSBYRKPCNEA-CQSZACIVSA-N 1 2 274.320 1.322 20 30 CDEDLO C=CCn1cc(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)nn1 ZINC000640724927 364536920 /nfs/dbraw/zinc/53/69/20/364536920.db2.gz ZTYQBDYCRCEKGT-NSHDSACASA-N 1 2 274.328 1.314 20 30 CDEDLO Cn1ccnc1C[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000270545432 366898221 /nfs/dbraw/zinc/89/82/21/366898221.db2.gz MKASSDLJVFLTNE-UHFFFAOYSA-N 1 2 297.362 1.752 20 30 CDEDLO Cn1ccnc1C[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000270545432 366898229 /nfs/dbraw/zinc/89/82/29/366898229.db2.gz MKASSDLJVFLTNE-UHFFFAOYSA-N 1 2 297.362 1.752 20 30 CDEDLO CN1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C(C)(C)C1=O ZINC000094865832 367311890 /nfs/dbraw/zinc/31/18/90/367311890.db2.gz OXKFDEFDXFTSOQ-AWEZNQCLSA-N 1 2 287.363 1.144 20 30 CDEDLO CN1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C(C)(C)C1=O ZINC000094865832 367311896 /nfs/dbraw/zinc/31/18/96/367311896.db2.gz OXKFDEFDXFTSOQ-AWEZNQCLSA-N 1 2 287.363 1.144 20 30 CDEDLO C=CC[N@@H+](C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 ZINC000637962753 367323762 /nfs/dbraw/zinc/32/37/62/367323762.db2.gz ONUQMKYEVFSQPE-QWHCGFSZSA-N 1 2 275.414 1.477 20 30 CDEDLO C=CC[N@H+](C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 ZINC000637962753 367323765 /nfs/dbraw/zinc/32/37/65/367323765.db2.gz ONUQMKYEVFSQPE-QWHCGFSZSA-N 1 2 275.414 1.477 20 30 CDEDLO N#Cc1ccc(F)c(C[NH+]2CCN(c3cccnn3)CC2)c1 ZINC000170649678 367524734 /nfs/dbraw/zinc/52/47/34/367524734.db2.gz IETGONCFZFUZDT-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO C[C@@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528513147 367872771 /nfs/dbraw/zinc/87/27/71/367872771.db2.gz QALGTCPBSPIBQK-CYBMUJFWSA-N 1 2 298.342 1.007 20 30 CDEDLO C[C@@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528513147 367872772 /nfs/dbraw/zinc/87/27/72/367872772.db2.gz QALGTCPBSPIBQK-CYBMUJFWSA-N 1 2 298.342 1.007 20 30 CDEDLO Cn1cc(C[N@@H+]2CCO[C@@H](COCC3CC3)C2)cc1C#N ZINC000361608006 368595248 /nfs/dbraw/zinc/59/52/48/368595248.db2.gz DSKBVUMOEYPPQB-MRXNPFEDSA-N 1 2 289.379 1.524 20 30 CDEDLO Cn1cc(C[N@H+]2CCO[C@@H](COCC3CC3)C2)cc1C#N ZINC000361608006 368595253 /nfs/dbraw/zinc/59/52/53/368595253.db2.gz DSKBVUMOEYPPQB-MRXNPFEDSA-N 1 2 289.379 1.524 20 30 CDEDLO C[C@@H]1C[N@H+](CC2(C#N)CC2)CC2(CCOCC2)O1 ZINC000565873169 370554281 /nfs/dbraw/zinc/55/42/81/370554281.db2.gz VLDNYIUUGVJYBF-GFCCVEGCSA-N 1 2 250.342 1.560 20 30 CDEDLO C[C@@H]1C[N@@H+](CC2(C#N)CC2)CC2(CCOCC2)O1 ZINC000565873169 370554286 /nfs/dbraw/zinc/55/42/86/370554286.db2.gz VLDNYIUUGVJYBF-GFCCVEGCSA-N 1 2 250.342 1.560 20 30 CDEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000293348332 370600705 /nfs/dbraw/zinc/60/07/05/370600705.db2.gz ZBROKYCCIRPSOS-LLVKDONJSA-N 1 2 275.308 1.877 20 30 CDEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000293348332 370600709 /nfs/dbraw/zinc/60/07/09/370600709.db2.gz ZBROKYCCIRPSOS-LLVKDONJSA-N 1 2 275.308 1.877 20 30 CDEDLO C=CCn1nnnc1SCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000568270508 371213832 /nfs/dbraw/zinc/21/38/32/371213832.db2.gz ILJREAJSELRYOB-QWRGUYRKSA-N 1 2 283.401 1.060 20 30 CDEDLO CC[N@@H+](CC(=O)NC(=O)NC1CCCCC1)C[C@@H](C)C#N ZINC000049982227 372083773 /nfs/dbraw/zinc/08/37/73/372083773.db2.gz SDQPDIBEDCNWHG-LBPRGKRZSA-N 1 2 294.399 1.626 20 30 CDEDLO CC[N@H+](CC(=O)NC(=O)NC1CCCCC1)C[C@@H](C)C#N ZINC000049982227 372083777 /nfs/dbraw/zinc/08/37/77/372083777.db2.gz SDQPDIBEDCNWHG-LBPRGKRZSA-N 1 2 294.399 1.626 20 30 CDEDLO Cc1noc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)n1 ZINC000348109245 373001595 /nfs/dbraw/zinc/00/15/95/373001595.db2.gz KSGPCSVLLMPXDT-SECBINFHSA-N 1 2 285.307 1.539 20 30 CDEDLO Cc1cccc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000581642802 373142592 /nfs/dbraw/zinc/14/25/92/373142592.db2.gz KPKFUDVKFOAXTL-OAHLLOKOSA-N 1 2 259.353 1.498 20 30 CDEDLO N#Cc1ccnc(NCc2ccc(N)[nH+]c2)c1[N+](=O)[O-] ZINC000302667764 373964756 /nfs/dbraw/zinc/96/47/56/373964756.db2.gz CQIVRDBYJFLPNJ-UHFFFAOYSA-N 1 2 270.252 1.451 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)Nc1nc2ccccn2c1C#N ZINC000357319629 373907118 /nfs/dbraw/zinc/90/71/18/373907118.db2.gz VQIFDFFHELMOEF-NSHDSACASA-N 1 2 266.308 1.903 20 30 CDEDLO C[C@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)c1cccc(C#N)c1 ZINC000360378344 374011509 /nfs/dbraw/zinc/01/15/09/374011509.db2.gz QFNZTQGBZURYJB-MAZHCROVSA-N 1 2 299.374 1.203 20 30 CDEDLO C[C@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)c1cccc(C#N)c1 ZINC000360378344 374011515 /nfs/dbraw/zinc/01/15/15/374011515.db2.gz QFNZTQGBZURYJB-MAZHCROVSA-N 1 2 299.374 1.203 20 30 CDEDLO Cc1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cn1 ZINC000360975703 374029276 /nfs/dbraw/zinc/02/92/76/374029276.db2.gz PTKKUAHXNXBZCT-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cccnc1 ZINC000361089310 374034762 /nfs/dbraw/zinc/03/47/62/374034762.db2.gz VDOSTYSZZGTNEP-ABAIWWIYSA-N 1 2 280.331 1.830 20 30 CDEDLO C[N@H+](CCN1CCOCC1)Cc1ccc(F)cc1C#N ZINC000112407324 374224037 /nfs/dbraw/zinc/22/40/37/374224037.db2.gz MYWCVQRXFHUGMK-UHFFFAOYSA-N 1 2 277.343 1.461 20 30 CDEDLO C[N@@H+](CCN1CCOCC1)Cc1ccc(F)cc1C#N ZINC000112407324 374224045 /nfs/dbraw/zinc/22/40/45/374224045.db2.gz MYWCVQRXFHUGMK-UHFFFAOYSA-N 1 2 277.343 1.461 20 30 CDEDLO CN(CC[NH+]1CCOCC1)Cc1ccc(F)cc1C#N ZINC000112407324 374224049 /nfs/dbraw/zinc/22/40/49/374224049.db2.gz MYWCVQRXFHUGMK-UHFFFAOYSA-N 1 2 277.343 1.461 20 30 CDEDLO CCC[C@@](C)([NH2+]CCC(=O)N(C)CCC#N)C(=O)OC ZINC000342608141 374376952 /nfs/dbraw/zinc/37/69/52/374376952.db2.gz TZIQCWGIVUMSHD-CQSZACIVSA-N 1 2 283.372 1.070 20 30 CDEDLO COCCC1CC[NH+](Cn2ccc(C)c(C#N)c2=O)CC1 ZINC000530093816 374476012 /nfs/dbraw/zinc/47/60/12/374476012.db2.gz FQVGMEPJJUZMLJ-UHFFFAOYSA-N 1 2 289.379 1.734 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000378360504 374641569 /nfs/dbraw/zinc/64/15/69/374641569.db2.gz CIDRFRBBMFMFSN-NSHDSACASA-N 1 2 273.336 1.277 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000378360504 374641572 /nfs/dbraw/zinc/64/15/72/374641572.db2.gz CIDRFRBBMFMFSN-NSHDSACASA-N 1 2 273.336 1.277 20 30 CDEDLO C[C@H]1CCN(C(=O)C(C)(C)C#N)C[C@H]1n1cc[nH+]c1 ZINC000125350135 374925835 /nfs/dbraw/zinc/92/58/35/374925835.db2.gz QMGBBMSWSKAQRM-NWDGAFQWSA-N 1 2 260.341 1.842 20 30 CDEDLO CN(C)[C@@H](C(=O)Nc1cccc(C#N)c1)c1c[nH+]cn1C ZINC000280811230 375024390 /nfs/dbraw/zinc/02/43/90/375024390.db2.gz RFVNLZYFGIEEIN-CQSZACIVSA-N 1 2 283.335 1.533 20 30 CDEDLO C[N@H+](CC(=O)NC1CC1)Cc1ccc(C#N)cc1Cl ZINC000162892309 375546695 /nfs/dbraw/zinc/54/66/95/375546695.db2.gz CKNKDRSBGVYOMT-UHFFFAOYSA-N 1 2 277.755 1.922 20 30 CDEDLO C[N@@H+](CC(=O)NC1CC1)Cc1ccc(C#N)cc1Cl ZINC000162892309 375546699 /nfs/dbraw/zinc/54/66/99/375546699.db2.gz CKNKDRSBGVYOMT-UHFFFAOYSA-N 1 2 277.755 1.922 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H]2CO)c(C#N)c1C ZINC000248994166 375670845 /nfs/dbraw/zinc/67/08/45/375670845.db2.gz XQXXUBVFSXMHDP-NOZJJQNGSA-N 1 2 291.351 1.409 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H]2CO)c(C#N)c1C ZINC000248994166 375670851 /nfs/dbraw/zinc/67/08/51/375670851.db2.gz XQXXUBVFSXMHDP-NOZJJQNGSA-N 1 2 291.351 1.409 20 30 CDEDLO C[C@]1(CNC(=O)NC[C@H]2CCCn3cc[nH+]c32)CCOC1 ZINC000328600601 375920970 /nfs/dbraw/zinc/92/09/70/375920970.db2.gz DBXJAFKHQQNMRJ-IUODEOHRSA-N 1 2 292.383 1.691 20 30 CDEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCCCO1 ZINC000328692648 375929716 /nfs/dbraw/zinc/92/97/16/375929716.db2.gz JHGGUCOHWVIJHI-SNVBAGLBSA-N 1 2 250.302 1.139 20 30 CDEDLO C[C@H](CNC(=O)[C@@H]1CCC(=O)[C@H](C)C1)C[NH+]1CCOCC1 ZINC000328954011 376019196 /nfs/dbraw/zinc/01/91/96/376019196.db2.gz OHYSUHVYYPLMTF-MGPQQGTHSA-N 1 2 296.411 1.917 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Nc1ncc(C#N)cc1Cl ZINC000171068315 376086661 /nfs/dbraw/zinc/08/66/61/376086661.db2.gz VJWFJFMKMZBYKZ-JTQLQIEISA-N 1 2 280.759 1.739 20 30 CDEDLO Cc1cc(C(=O)NCC[N@H+]2CCOC[C@H]2C)c(C)o1 ZINC000330628443 376295976 /nfs/dbraw/zinc/29/59/76/376295976.db2.gz YYXMWVVZCYPMBK-SNVBAGLBSA-N 1 2 266.341 1.922 20 30 CDEDLO Cc1cc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)c(C)o1 ZINC000330628443 376295978 /nfs/dbraw/zinc/29/59/78/376295978.db2.gz YYXMWVVZCYPMBK-SNVBAGLBSA-N 1 2 266.341 1.922 20 30 CDEDLO Cc1cc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)c(C)o1 ZINC000330628442 376296183 /nfs/dbraw/zinc/29/61/83/376296183.db2.gz YYXMWVVZCYPMBK-JTQLQIEISA-N 1 2 266.341 1.922 20 30 CDEDLO Cc1cc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)c(C)o1 ZINC000330628442 376296185 /nfs/dbraw/zinc/29/61/85/376296185.db2.gz YYXMWVVZCYPMBK-JTQLQIEISA-N 1 2 266.341 1.922 20 30 CDEDLO CC(C)[C@H](CNc1nccnc1C#N)[NH+]1CCOCC1 ZINC000263718443 190074422 /nfs/dbraw/zinc/07/44/22/190074422.db2.gz BEUSFHQRRFNGFK-ZDUSSCGKSA-N 1 2 275.356 1.117 20 30 CDEDLO CSC[C@H](C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000066833579 376678880 /nfs/dbraw/zinc/67/88/80/376678880.db2.gz ZFNOXTQMTNQTTG-ZDUSSCGKSA-N 1 2 299.440 1.060 20 30 CDEDLO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1nncn1C ZINC000130299590 376701759 /nfs/dbraw/zinc/70/17/59/376701759.db2.gz JAKAFHYMIWXFJT-SNVBAGLBSA-N 1 2 271.324 1.546 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCOC[C@H]1CC(C)C ZINC000072978784 377205271 /nfs/dbraw/zinc/20/52/71/377205271.db2.gz LMUQZAJOITXBCT-OAHLLOKOSA-N 1 2 280.412 1.934 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCOC[C@H]1CC(C)C ZINC000072978784 377205280 /nfs/dbraw/zinc/20/52/80/377205280.db2.gz LMUQZAJOITXBCT-OAHLLOKOSA-N 1 2 280.412 1.934 20 30 CDEDLO C=CCNC(=O)C[N@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000076147850 377467223 /nfs/dbraw/zinc/46/72/23/377467223.db2.gz YKWUFRKJSOLJEK-HIFRSBDPSA-N 1 2 274.364 1.751 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000076147850 377467233 /nfs/dbraw/zinc/46/72/33/377467233.db2.gz YKWUFRKJSOLJEK-HIFRSBDPSA-N 1 2 274.364 1.751 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2C3CCC2CC3)cc1 ZINC000398918481 377574887 /nfs/dbraw/zinc/57/48/87/377574887.db2.gz QPKHWHUVDNAIIC-UHFFFAOYSA-N 1 2 290.388 1.959 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(F)c1F ZINC000571885481 377578697 /nfs/dbraw/zinc/57/86/97/377578697.db2.gz OTJBYZZQEVYFSG-ZDUSSCGKSA-N 1 2 267.279 1.538 20 30 CDEDLO C=C(Cl)CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000265464445 190184092 /nfs/dbraw/zinc/18/40/92/190184092.db2.gz HNGYFJSLIIQPLW-UHFFFAOYSA-N 1 2 275.780 1.149 20 30 CDEDLO C[C@@H](C(=O)NCc1cccs1)[NH+]1CCC(C#N)CC1 ZINC000057906057 377861666 /nfs/dbraw/zinc/86/16/66/377861666.db2.gz TVLKAVSZUVDXLR-NSHDSACASA-N 1 2 277.393 1.988 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000081011820 377856807 /nfs/dbraw/zinc/85/68/07/377856807.db2.gz NSRSKPQUPJOJAX-UHFFFAOYSA-N 1 2 258.321 1.173 20 30 CDEDLO C#CC[NH+](CC#C)Cc1c(C)nn(-c2ccccn2)c1C ZINC000282828255 378072696 /nfs/dbraw/zinc/07/26/96/378072696.db2.gz QEAKSBVNAPBSTA-UHFFFAOYSA-N 1 2 278.359 1.953 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633206638 378207574 /nfs/dbraw/zinc/20/75/74/378207574.db2.gz AXRIGISRRAVRMW-AAEUAGOBSA-N 1 2 278.356 1.532 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000192243799 378180217 /nfs/dbraw/zinc/18/02/17/378180217.db2.gz BTOCJOIVERGSKR-LLVKDONJSA-N 1 2 276.767 1.836 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000192243799 378180221 /nfs/dbraw/zinc/18/02/21/378180221.db2.gz BTOCJOIVERGSKR-LLVKDONJSA-N 1 2 276.767 1.836 20 30 CDEDLO CC#CCNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000136046079 378314226 /nfs/dbraw/zinc/31/42/26/378314226.db2.gz ALQYYMFXGJWDQB-AWEZNQCLSA-N 1 2 286.379 1.493 20 30 CDEDLO C#CCSCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000290315318 378374151 /nfs/dbraw/zinc/37/41/51/378374151.db2.gz NZBOZMXQVLSMJL-CYBMUJFWSA-N 1 2 272.377 1.850 20 30 CDEDLO CC#CC[N@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000293206714 378560526 /nfs/dbraw/zinc/56/05/26/378560526.db2.gz RALNYOJVHQWVTC-UHFFFAOYSA-N 1 2 255.321 1.389 20 30 CDEDLO CC#CC[N@@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000293206714 378560534 /nfs/dbraw/zinc/56/05/34/378560534.db2.gz RALNYOJVHQWVTC-UHFFFAOYSA-N 1 2 255.321 1.389 20 30 CDEDLO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000343527628 378922740 /nfs/dbraw/zinc/92/27/40/378922740.db2.gz KXOSPPLHGPFTOI-GFCCVEGCSA-N 1 2 280.393 1.618 20 30 CDEDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000343527628 378922743 /nfs/dbraw/zinc/92/27/43/378922743.db2.gz KXOSPPLHGPFTOI-GFCCVEGCSA-N 1 2 280.393 1.618 20 30 CDEDLO Cc1c(Cl)cnc(NCC[N@@H+]2CCO[C@H](C)C2)c1C#N ZINC000544068234 378937919 /nfs/dbraw/zinc/93/79/19/378937919.db2.gz HSFNMULNEGSALN-SNVBAGLBSA-N 1 2 294.786 1.470 20 30 CDEDLO Cc1c(Cl)cnc(NCC[N@H+]2CCO[C@H](C)C2)c1C#N ZINC000544068234 378937924 /nfs/dbraw/zinc/93/79/24/378937924.db2.gz HSFNMULNEGSALN-SNVBAGLBSA-N 1 2 294.786 1.470 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000343527629 378921877 /nfs/dbraw/zinc/92/18/77/378921877.db2.gz KXOSPPLHGPFTOI-LBPRGKRZSA-N 1 2 280.393 1.618 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000343527629 378921881 /nfs/dbraw/zinc/92/18/81/378921881.db2.gz KXOSPPLHGPFTOI-LBPRGKRZSA-N 1 2 280.393 1.618 20 30 CDEDLO N#CCCC[N@H+]1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000343911774 379018334 /nfs/dbraw/zinc/01/83/34/379018334.db2.gz RVBBVDSMSPZMTM-CQSZACIVSA-N 1 2 257.337 1.333 20 30 CDEDLO N#CCCC[N@@H+]1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000343911774 379018340 /nfs/dbraw/zinc/01/83/40/379018340.db2.gz RVBBVDSMSPZMTM-CQSZACIVSA-N 1 2 257.337 1.333 20 30 CDEDLO C[NH+]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000278868927 194189339 /nfs/dbraw/zinc/18/93/39/194189339.db2.gz BNPCLPVQBPHAIQ-UHFFFAOYSA-N 1 2 296.330 1.601 20 30 CDEDLO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2sccc2C#N)C[C@H]1C ZINC000174287902 379439940 /nfs/dbraw/zinc/43/99/40/379439940.db2.gz PHOVADBIQCEECE-GHMZBOCLSA-N 1 2 293.392 1.147 20 30 CDEDLO C[C@@H](O)C[N@H+]1CCN(C(=O)c2sccc2C#N)C[C@H]1C ZINC000174287902 379439949 /nfs/dbraw/zinc/43/99/49/379439949.db2.gz PHOVADBIQCEECE-GHMZBOCLSA-N 1 2 293.392 1.147 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000267614980 190341378 /nfs/dbraw/zinc/34/13/78/190341378.db2.gz CCUBULOVXHPIPN-AWEZNQCLSA-N 1 2 262.284 1.645 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000267614980 190341379 /nfs/dbraw/zinc/34/13/79/190341379.db2.gz CCUBULOVXHPIPN-AWEZNQCLSA-N 1 2 262.284 1.645 20 30 CDEDLO CC1(C)OCC(CO)([NH2+]Cc2ccccc2C#N)CO1 ZINC000279151770 194307033 /nfs/dbraw/zinc/30/70/33/194307033.db2.gz ANVSNLJSGGVDLE-UHFFFAOYSA-N 1 2 276.336 1.162 20 30 CDEDLO C[C@@H](C#N)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000347080003 533114764 /nfs/dbraw/zinc/11/47/64/533114764.db2.gz ICARJPVRDAIOGQ-CABZTGNLSA-N 1 2 281.306 1.843 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)NCCCCC)C1=O ZINC000281208818 195149199 /nfs/dbraw/zinc/14/91/99/195149199.db2.gz CZAZJXLNCJLEKH-KBPBESRZSA-N 1 2 295.427 1.400 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)NCCCCC)C1=O ZINC000281208818 195149200 /nfs/dbraw/zinc/14/92/00/195149200.db2.gz CZAZJXLNCJLEKH-KBPBESRZSA-N 1 2 295.427 1.400 20 30 CDEDLO CC(C)[N@H+](CC(=O)NCc1cccc(C#N)c1)C1COC1 ZINC000451121895 390600555 /nfs/dbraw/zinc/60/05/55/390600555.db2.gz UVHDDBMEKHGMBD-UHFFFAOYSA-N 1 2 287.363 1.284 20 30 CDEDLO CC(C)[N@@H+](CC(=O)NCc1cccc(C#N)c1)C1COC1 ZINC000451121895 390600560 /nfs/dbraw/zinc/60/05/60/390600560.db2.gz UVHDDBMEKHGMBD-UHFFFAOYSA-N 1 2 287.363 1.284 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+](C1CC1)C1COC1 ZINC000451124801 390600587 /nfs/dbraw/zinc/60/05/87/390600587.db2.gz JQGDKFYNCSJXHC-UHFFFAOYSA-N 1 2 258.321 1.930 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+](C1CC1)C1COC1 ZINC000451124801 390600592 /nfs/dbraw/zinc/60/05/92/390600592.db2.gz JQGDKFYNCSJXHC-UHFFFAOYSA-N 1 2 258.321 1.930 20 30 CDEDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000335697571 390673694 /nfs/dbraw/zinc/67/36/94/390673694.db2.gz NTZATICRNJWZKO-XIKOKIGWSA-N 1 2 262.378 1.901 20 30 CDEDLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000335697571 390673698 /nfs/dbraw/zinc/67/36/98/390673698.db2.gz NTZATICRNJWZKO-XIKOKIGWSA-N 1 2 262.378 1.901 20 30 CDEDLO N#CCCN1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000112705783 390794196 /nfs/dbraw/zinc/79/41/96/390794196.db2.gz IGVZNXVUXGDWSS-INIZCTEOSA-N 1 2 298.390 1.323 20 30 CDEDLO N#CC1(C(=O)NCCCNc2cccc[nH+]2)CCC1 ZINC000136184538 390941070 /nfs/dbraw/zinc/94/10/70/390941070.db2.gz CRNPJXNDBOSCME-UHFFFAOYSA-N 1 2 258.325 1.694 20 30 CDEDLO C[C@H](NC(=O)CO[NH+]=C(N)CCO)c1ccc(Cl)cc1 ZINC000121418277 390885805 /nfs/dbraw/zinc/88/58/05/390885805.db2.gz STBZYJHEVPIENA-VIFPVBQESA-N 1 2 299.758 1.188 20 30 CDEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000154949779 390916313 /nfs/dbraw/zinc/91/63/13/390916313.db2.gz UJEMSUPWDNEYPG-VIFPVBQESA-N 1 2 261.163 1.496 20 30 CDEDLO C=C(Br)C[N@H+](C)[C@H]1CCCCNC1=O ZINC000154949779 390916314 /nfs/dbraw/zinc/91/63/14/390916314.db2.gz UJEMSUPWDNEYPG-VIFPVBQESA-N 1 2 261.163 1.496 20 30 CDEDLO N#CCCCS(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151157594 390918066 /nfs/dbraw/zinc/91/80/66/390918066.db2.gz PJZMPVQJIKIOFY-CYBMUJFWSA-N 1 2 295.364 1.168 20 30 CDEDLO CO[C@]1(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CCOC1 ZINC000329597094 391023647 /nfs/dbraw/zinc/02/36/47/391023647.db2.gz IVFSFRBUCGUUQA-TVQRCGJNSA-N 1 2 265.313 1.029 20 30 CDEDLO CO[C@]1(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CCOC1 ZINC000329597094 391023650 /nfs/dbraw/zinc/02/36/50/391023650.db2.gz IVFSFRBUCGUUQA-TVQRCGJNSA-N 1 2 265.313 1.029 20 30 CDEDLO O=C(NC[C@@H]1CCC[C@H](O)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329487031 390996878 /nfs/dbraw/zinc/99/68/78/390996878.db2.gz TYUOZNBWVGGMBA-DYEKYZERSA-N 1 2 277.368 1.953 20 30 CDEDLO CCCCNc1cc(NCC(C)(C)CC#N)nc(N)[nH+]1 ZINC000413398680 390997031 /nfs/dbraw/zinc/99/70/31/390997031.db2.gz ACJYRVPBAHNLKX-UHFFFAOYSA-N 1 2 276.388 1.875 20 30 CDEDLO CCCCNc1cc(NCC(C)(C)CC#N)[nH+]c(N)n1 ZINC000413398680 390997033 /nfs/dbraw/zinc/99/70/33/390997033.db2.gz ACJYRVPBAHNLKX-UHFFFAOYSA-N 1 2 276.388 1.875 20 30 CDEDLO [O-]C(NCC[C@@H]1CCOC1)=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329506050 391001105 /nfs/dbraw/zinc/00/11/05/391001105.db2.gz AMWIUMOHBQAIEZ-GHMZBOCLSA-N 1 2 278.356 1.197 20 30 CDEDLO C[C@H](NC(=O)NCC[NH+]1CCC1)[C@@H]1CCCOC1 ZINC000329509802 391001649 /nfs/dbraw/zinc/00/16/49/391001649.db2.gz MKGXLNUUYOCDKP-NWDGAFQWSA-N 1 2 255.362 1.011 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)[C@H]1CCCOC1 ZINC000329514349 391002670 /nfs/dbraw/zinc/00/26/70/391002670.db2.gz ODCMCKPQCDHRMM-MCIONIFRSA-N 1 2 299.415 1.026 20 30 CDEDLO C[C@]1(CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCOC1 ZINC000329527863 391005538 /nfs/dbraw/zinc/00/55/38/391005538.db2.gz HZZBUGKZMZQANJ-OAHLLOKOSA-N 1 2 299.415 1.027 20 30 CDEDLO C[C@]1(CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)CCOC1 ZINC000329527863 391005542 /nfs/dbraw/zinc/00/55/42/391005542.db2.gz HZZBUGKZMZQANJ-OAHLLOKOSA-N 1 2 299.415 1.027 20 30 CDEDLO C[C@@H]1C[C@@H](O)CN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000329543227 391010435 /nfs/dbraw/zinc/01/04/35/391010435.db2.gz YEXHFKQNBDYDME-MWLCHTKSSA-N 1 2 260.297 1.335 20 30 CDEDLO COc1cccc(C=C2CC[NH+](CC(=O)NCC#N)CC2)c1 ZINC000351746111 391090717 /nfs/dbraw/zinc/09/07/17/391090717.db2.gz QCYDKOWEKQKUKM-UHFFFAOYSA-N 1 2 299.374 1.814 20 30 CDEDLO C[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)C[C@@]2(CCOC2)O1 ZINC000373795614 391132360 /nfs/dbraw/zinc/13/23/60/391132360.db2.gz FLTDQWWXVMBLTB-HZSPNIEDSA-N 1 2 263.341 1.310 20 30 CDEDLO C[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)C[C@@]2(CCOC2)O1 ZINC000373795614 391132364 /nfs/dbraw/zinc/13/23/64/391132364.db2.gz FLTDQWWXVMBLTB-HZSPNIEDSA-N 1 2 263.341 1.310 20 30 CDEDLO C=CCn1cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)nn1 ZINC000648374895 391146916 /nfs/dbraw/zinc/14/69/16/391146916.db2.gz HOXNPZZFXSLDQR-CYBMUJFWSA-N 1 2 299.334 1.153 20 30 CDEDLO C[C@@H](C(=O)N[C@]1(C#N)CC1(C)C)[NH+]1CCSCC1 ZINC000336084780 533311438 /nfs/dbraw/zinc/31/14/38/533311438.db2.gz ZXRWCPKMFMKGAS-GWCFXTLKSA-N 1 2 267.398 1.232 20 30 CDEDLO Cc1ccc(CNC(=O)C[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000352483289 391155126 /nfs/dbraw/zinc/15/51/26/391155126.db2.gz ICUBXIHOKMTYDV-UHFFFAOYSA-N 1 2 289.354 1.939 20 30 CDEDLO CCN(CC)C(=O)[C@H](C)O[NH+]=C(N)Cc1csc(C)n1 ZINC000178144781 391181932 /nfs/dbraw/zinc/18/19/32/391181932.db2.gz GBXRDNQLZXPBRD-VIFPVBQESA-N 1 2 298.412 1.540 20 30 CDEDLO Cc1ccc(NC(=O)C(=O)N2CCC(C#N)CC2)c(C)[nH+]1 ZINC000268024545 391208946 /nfs/dbraw/zinc/20/89/46/391208946.db2.gz CEDMDZWVSBHIGW-UHFFFAOYSA-N 1 2 286.335 1.399 20 30 CDEDLO N#C[C@H]1CSCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000271734927 391302475 /nfs/dbraw/zinc/30/24/75/391302475.db2.gz NQQLQTQZQWLIOJ-LBPRGKRZSA-N 1 2 299.359 1.348 20 30 CDEDLO C=C(C)C[N@H+](CC(=O)N(C)C)Cc1cnn(C(C)C)c1 ZINC000352901807 391310647 /nfs/dbraw/zinc/31/06/47/391310647.db2.gz LASLDDODVDRFCL-UHFFFAOYSA-N 1 2 278.400 1.930 20 30 CDEDLO C=C(C)C[N@@H+](CC(=O)N(C)C)Cc1cnn(C(C)C)c1 ZINC000352901807 391310652 /nfs/dbraw/zinc/31/06/52/391310652.db2.gz LASLDDODVDRFCL-UHFFFAOYSA-N 1 2 278.400 1.930 20 30 CDEDLO C=CCOCCC[N@H+]1CCN(CC(F)(F)F)C(=O)C1 ZINC000353008182 391320222 /nfs/dbraw/zinc/32/02/22/391320222.db2.gz ZFLGREIOMVINBV-UHFFFAOYSA-N 1 2 280.290 1.286 20 30 CDEDLO C=CCOCCC[N@@H+]1CCN(CC(F)(F)F)C(=O)C1 ZINC000353008182 391320224 /nfs/dbraw/zinc/32/02/24/391320224.db2.gz ZFLGREIOMVINBV-UHFFFAOYSA-N 1 2 280.290 1.286 20 30 CDEDLO C=CCC(CC=C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366475846 391324250 /nfs/dbraw/zinc/32/42/50/391324250.db2.gz VTNWKPAZBDNVTG-OAHLLOKOSA-N 1 2 278.396 1.688 20 30 CDEDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)CC1(C#N)CC1 ZINC000166044953 391350027 /nfs/dbraw/zinc/35/00/27/391350027.db2.gz JWCDYGCXJXYEGC-UHFFFAOYSA-N 1 2 295.364 1.168 20 30 CDEDLO C=CC[C@H](CO)NC(=O)[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000346955444 391379175 /nfs/dbraw/zinc/37/91/75/391379175.db2.gz OEQOZYBIVWXIJK-MJBXVCDLSA-N 1 2 289.379 1.207 20 30 CDEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCc2c[nH]nc2C1 ZINC000328914542 391393210 /nfs/dbraw/zinc/39/32/10/391393210.db2.gz IYIBTTZRROJNDT-MWLCHTKSSA-N 1 2 285.351 1.752 20 30 CDEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCc2c[nH]nc2C1 ZINC000328914542 391393213 /nfs/dbraw/zinc/39/32/13/391393213.db2.gz IYIBTTZRROJNDT-MWLCHTKSSA-N 1 2 285.351 1.752 20 30 CDEDLO CC[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000330439699 391433020 /nfs/dbraw/zinc/43/30/20/391433020.db2.gz CMJXQHOAEHVOCB-CHWSQXEVSA-N 1 2 267.373 1.248 20 30 CDEDLO CC[C@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@H](CC)C1 ZINC000330439699 391433021 /nfs/dbraw/zinc/43/30/21/391433021.db2.gz CMJXQHOAEHVOCB-CHWSQXEVSA-N 1 2 267.373 1.248 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@@]1(C)CC ZINC000330503931 391439692 /nfs/dbraw/zinc/43/96/92/391439692.db2.gz DBMVXDXBCMRTCY-DZGCQCFKSA-N 1 2 281.400 1.495 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCOC[C@@]1(C)CC ZINC000330503931 391439695 /nfs/dbraw/zinc/43/96/95/391439695.db2.gz DBMVXDXBCMRTCY-DZGCQCFKSA-N 1 2 281.400 1.495 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c(Cl)c1 ZINC000439440802 391634791 /nfs/dbraw/zinc/63/47/91/391634791.db2.gz QPEMGXLJHQSLTP-AWEZNQCLSA-N 1 2 291.782 1.728 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCN3CCOC[C@@H]3C2)c(Cl)c1 ZINC000439440802 391634794 /nfs/dbraw/zinc/63/47/94/391634794.db2.gz QPEMGXLJHQSLTP-AWEZNQCLSA-N 1 2 291.782 1.728 20 30 CDEDLO C=CC[C@@H](CC)N1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O ZINC000359183162 391580597 /nfs/dbraw/zinc/58/05/97/391580597.db2.gz KFHKNRSNEJPFIP-GHMZBOCLSA-N 1 2 262.313 1.227 20 30 CDEDLO C=CC[C@@H](CC)N1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O ZINC000359183162 391580602 /nfs/dbraw/zinc/58/06/02/391580602.db2.gz KFHKNRSNEJPFIP-GHMZBOCLSA-N 1 2 262.313 1.227 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCn3cccc3[C@H]2C)C1=O ZINC000281897541 391664620 /nfs/dbraw/zinc/66/46/20/391664620.db2.gz FKQFDRXWJFHRQU-OCCSQVGLSA-N 1 2 259.353 1.652 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCn3cccc3[C@H]2C)C1=O ZINC000281897541 391664622 /nfs/dbraw/zinc/66/46/22/391664622.db2.gz FKQFDRXWJFHRQU-OCCSQVGLSA-N 1 2 259.353 1.652 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(Cl)cn2C)C1=O ZINC000281958256 391666259 /nfs/dbraw/zinc/66/62/59/391666259.db2.gz KDAJNAIJYDYQFL-ZDUSSCGKSA-N 1 2 281.787 1.897 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(Cl)cn2C)C1=O ZINC000281958256 391666261 /nfs/dbraw/zinc/66/62/61/391666261.db2.gz KDAJNAIJYDYQFL-ZDUSSCGKSA-N 1 2 281.787 1.897 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCN(Cc2[nH+]ccn2CC)CC1 ZINC000648307750 391757446 /nfs/dbraw/zinc/75/74/46/391757446.db2.gz WCYSCAWLFYSHGK-UHFFFAOYSA-N 1 2 290.411 1.759 20 30 CDEDLO COCC[NH+]1CCN(C(=O)c2cccc(F)c2C#N)CC1 ZINC000189480875 391764051 /nfs/dbraw/zinc/76/40/51/391764051.db2.gz QWEHDYCOZHLNRY-UHFFFAOYSA-N 1 2 291.326 1.102 20 30 CDEDLO CC(C)[C@@H]1C[C@@H](NC(=O)N2CCn3cc[nH+]c3C2)CCO1 ZINC000329136148 391760603 /nfs/dbraw/zinc/76/06/03/391760603.db2.gz GUIIUFBIDZLWMG-STQMWFEESA-N 1 2 292.383 1.816 20 30 CDEDLO O=C(NCC[C@@H]1CCOC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329753829 391772207 /nfs/dbraw/zinc/77/22/07/391772207.db2.gz KIOFICRUNSJTCA-GFCCVEGCSA-N 1 2 292.383 1.930 20 30 CDEDLO O=C(NCC[C@@H]1CCOC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329753829 391772210 /nfs/dbraw/zinc/77/22/10/391772210.db2.gz KIOFICRUNSJTCA-GFCCVEGCSA-N 1 2 292.383 1.930 20 30 CDEDLO O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N1CCn2cc[nH+]c2C1 ZINC000329789666 391779749 /nfs/dbraw/zinc/77/97/49/391779749.db2.gz CESIPIFMSGMUGQ-CHWSQXEVSA-N 1 2 290.367 1.570 20 30 CDEDLO N#Cc1ccnc(NC[C@H]2C[N@@H+](C3CC3)CCO2)c1Cl ZINC000342227344 130399008 /nfs/dbraw/zinc/39/90/08/130399008.db2.gz KKQRIDHJYIVNEK-LBPRGKRZSA-N 1 2 292.770 1.304 20 30 CDEDLO C[C@@H]1C[C@H](NC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000330201305 391814119 /nfs/dbraw/zinc/81/41/19/391814119.db2.gz XOQCWGPCJXXEJK-IJLUTSLNSA-N 1 2 278.356 1.269 20 30 CDEDLO C[C@@H]1C[C@H]([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000330201305 391814121 /nfs/dbraw/zinc/81/41/21/391814121.db2.gz XOQCWGPCJXXEJK-IJLUTSLNSA-N 1 2 278.356 1.269 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000342995061 392073180 /nfs/dbraw/zinc/07/31/80/392073180.db2.gz MTAQJJPAGRDJAB-KGLIPLIRSA-N 1 2 282.432 1.276 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000342995061 392073186 /nfs/dbraw/zinc/07/31/86/392073186.db2.gz MTAQJJPAGRDJAB-KGLIPLIRSA-N 1 2 282.432 1.276 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000342966104 392075495 /nfs/dbraw/zinc/07/54/95/392075495.db2.gz PAJAOPWEEVXPGM-NSHDSACASA-N 1 2 250.346 1.964 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2cnc(N(C)C)nc2)CC1 ZINC000342837916 392053987 /nfs/dbraw/zinc/05/39/87/392053987.db2.gz MYTGNHHLGKYLMN-UHFFFAOYSA-N 1 2 289.383 1.295 20 30 CDEDLO C=C[C@@H](O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000646686853 392654923 /nfs/dbraw/zinc/65/49/23/392654923.db2.gz AMGARMVOMLAAHX-CYBMUJFWSA-N 1 2 275.352 1.235 20 30 CDEDLO CC#CC[C@H](CO)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000649188591 392970196 /nfs/dbraw/zinc/97/01/96/392970196.db2.gz NLTUXVOCHOPAFA-CYBMUJFWSA-N 1 2 285.347 1.076 20 30 CDEDLO CCOCCOCCN(C)c1cc(C)[nH+]cc1C#N ZINC000425254346 393007421 /nfs/dbraw/zinc/00/74/21/393007421.db2.gz LBWVQVYBKBEXRR-UHFFFAOYSA-N 1 2 263.341 1.751 20 30 CDEDLO CC1(C)C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H](CO)O1 ZINC000232789402 140224743 /nfs/dbraw/zinc/22/47/43/140224743.db2.gz FMJIKMVDPSJKNF-ZDUSSCGKSA-N 1 2 278.327 1.669 20 30 CDEDLO CC1(C)C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H](CO)O1 ZINC000232789402 140224744 /nfs/dbraw/zinc/22/47/44/140224744.db2.gz FMJIKMVDPSJKNF-ZDUSSCGKSA-N 1 2 278.327 1.669 20 30 CDEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1c[nH]c(C#N)c1 ZINC000334225610 149368188 /nfs/dbraw/zinc/36/81/88/149368188.db2.gz YNDUDPLCMPESSV-UHFFFAOYSA-N 1 2 283.335 1.691 20 30 CDEDLO Cc1ccc(Cc2noc(-c3cnn(C)c3C#N)n2)c[nH+]1 ZINC000346153618 153073907 /nfs/dbraw/zinc/07/39/07/153073907.db2.gz PSXCTFNDKBRODI-UHFFFAOYSA-N 1 2 280.291 1.636 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000349438738 154113845 /nfs/dbraw/zinc/11/38/45/154113845.db2.gz WFMYATLVZASRDK-GFCCVEGCSA-N 1 2 296.330 1.964 20 30 CDEDLO C[C@@H](O)C[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000157267954 287108103 /nfs/dbraw/zinc/10/81/03/287108103.db2.gz VGBKJAQNPNNGJI-DOMZBBRYSA-N 1 2 260.337 1.530 20 30 CDEDLO C[C@@H](O)C[C@H]1COCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000157267954 287108105 /nfs/dbraw/zinc/10/81/05/287108105.db2.gz VGBKJAQNPNNGJI-DOMZBBRYSA-N 1 2 260.337 1.530 20 30 CDEDLO C=CCSCC[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000284897759 196152387 /nfs/dbraw/zinc/15/23/87/196152387.db2.gz CDCCJTONWPXNNR-LBPRGKRZSA-N 1 2 275.381 1.798 20 30 CDEDLO C=CCCCCN1CC[NH+](C(COC)COC)CC1 ZINC000664827074 413678625 /nfs/dbraw/zinc/67/86/25/413678625.db2.gz JVAHADOWGXRELW-UHFFFAOYSA-N 1 2 270.417 1.622 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2ccc3c(c2)OCO3)nn1 ZINC000657287477 414112400 /nfs/dbraw/zinc/11/24/00/414112400.db2.gz NGRQUQLQCGAKHY-UHFFFAOYSA-N 1 2 286.335 1.873 20 30 CDEDLO C=C[C@@H](O)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000665444532 414187368 /nfs/dbraw/zinc/18/73/68/414187368.db2.gz OCLKBDUVEQDJJN-CQSZACIVSA-N 1 2 276.336 1.004 20 30 CDEDLO C=CCCn1cc(C[NH2+]C[C@@]2(N(C)C)CCSC2)nn1 ZINC000657387853 414269174 /nfs/dbraw/zinc/26/91/74/414269174.db2.gz WHUKCRYJPXEUQX-AWEZNQCLSA-N 1 2 295.456 1.381 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Nc1nc2c(cc1C#N)CCC2 ZINC000044348911 175165749 /nfs/dbraw/zinc/16/57/49/175165749.db2.gz ZZJKDPMVSYRUSS-LBPRGKRZSA-N 1 2 286.379 1.575 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Nc1nc2c(cc1C#N)CCC2 ZINC000044348915 175166020 /nfs/dbraw/zinc/16/60/20/175166020.db2.gz ZZJKDPMVSYRUSS-GFCCVEGCSA-N 1 2 286.379 1.575 20 30 CDEDLO C=CCOc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000045052940 175298224 /nfs/dbraw/zinc/29/82/24/175298224.db2.gz YGZOHSZPJUYUPN-UHFFFAOYSA-N 1 2 260.337 1.639 20 30 CDEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000331557400 228111405 /nfs/dbraw/zinc/11/14/05/228111405.db2.gz CCHJMBMJGQWUHU-CMPLNLGQSA-N 1 2 287.319 1.636 20 30 CDEDLO [O-]C(NCC1CC(F)(F)C1)=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000330212520 228067916 /nfs/dbraw/zinc/06/79/16/228067916.db2.gz KHYXGCOOKSAWFB-SECBINFHSA-N 1 2 284.310 1.816 20 30 CDEDLO [O-]C(NCC1CC(F)(F)C1)=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000330212520 228067917 /nfs/dbraw/zinc/06/79/17/228067917.db2.gz KHYXGCOOKSAWFB-SECBINFHSA-N 1 2 284.310 1.816 20 30 CDEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)N[C@H]1CCCC[C@@H]1O ZINC000330275600 228088924 /nfs/dbraw/zinc/08/89/24/228088924.db2.gz LSJHEIJVLDDRSJ-AGIUHOORSA-N 1 2 292.383 1.568 20 30 CDEDLO N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000332129050 228149969 /nfs/dbraw/zinc/14/99/69/228149969.db2.gz JMELKHROWOPOAQ-KBPBESRZSA-N 1 2 299.378 1.605 20 30 CDEDLO C[C@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000336234714 228218696 /nfs/dbraw/zinc/21/86/96/228218696.db2.gz LXMZOBLASVGQIG-WFASDCNBSA-N 1 2 289.404 1.942 20 30 CDEDLO CC[C@@H](O[NH+]=C(N)c1cccc(Cl)c1)C(N)=O ZINC000159379653 261185173 /nfs/dbraw/zinc/18/51/73/261185173.db2.gz XPQNMIOMANMFQZ-SECBINFHSA-N 1 2 255.705 1.241 20 30 CDEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cc(C)no1 ZINC000191075969 262188697 /nfs/dbraw/zinc/18/86/97/262188697.db2.gz RVLFMMVMVGGYHD-UHFFFAOYSA-N 1 2 253.302 1.056 20 30 CDEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cc(C)no1 ZINC000191075969 262188698 /nfs/dbraw/zinc/18/86/98/262188698.db2.gz RVLFMMVMVGGYHD-UHFFFAOYSA-N 1 2 253.302 1.056 20 30 CDEDLO C=CC1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000111456393 262263440 /nfs/dbraw/zinc/26/34/40/262263440.db2.gz VINXPGLNJCDSMI-ZDUSSCGKSA-N 1 2 281.400 1.315 20 30 CDEDLO CC1(C)CCCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H]1C#N ZINC000282798511 263078886 /nfs/dbraw/zinc/07/88/86/263078886.db2.gz OGKPYHFBLRYOJE-ZYOFXKKJSA-N 1 2 258.325 1.964 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)O[NH+]=C(N)[C@@H]1CCCO1 ZINC000284591548 263087497 /nfs/dbraw/zinc/08/74/97/263087497.db2.gz XZJWEFFWBCXURB-NEPJUHHUSA-N 1 2 283.372 1.267 20 30 CDEDLO Oc1ccc(/C=[NH+]/CCC2(O)CCOCC2)c(O)c1O ZINC000285380621 263092563 /nfs/dbraw/zinc/09/25/63/263092563.db2.gz ORHZOEAWFRIFQZ-OQLLNIDSSA-N 1 2 281.308 1.154 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000285388635 263092842 /nfs/dbraw/zinc/09/28/42/263092842.db2.gz NUXSUZFNXCZDNL-CQSZACIVSA-N 1 2 289.383 1.699 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000285388635 263092843 /nfs/dbraw/zinc/09/28/43/263092843.db2.gz NUXSUZFNXCZDNL-CQSZACIVSA-N 1 2 289.383 1.699 20 30 CDEDLO COc1cccc(/C=[NH+]/C[C@H]2CCCS(=O)(=O)C2)c1O ZINC000287198116 263101134 /nfs/dbraw/zinc/10/11/34/263101134.db2.gz LOTLANYQUQAWPV-BTAWCLGRSA-N 1 2 297.376 1.645 20 30 CDEDLO N#CCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000299671261 263251250 /nfs/dbraw/zinc/25/12/50/263251250.db2.gz NLPVSWKVBGJHEJ-CYBMUJFWSA-N 1 2 275.377 1.416 20 30 CDEDLO C=CCNC(=O)C[NH+]1CCN(c2cccs2)CC1 ZINC000121501239 263294239 /nfs/dbraw/zinc/29/42/39/263294239.db2.gz DRWCRHWMPAGFOC-UHFFFAOYSA-N 1 2 265.382 1.172 20 30 CDEDLO CC#CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000341048858 263319205 /nfs/dbraw/zinc/31/92/05/263319205.db2.gz PGQVLTFULDAEGQ-UHFFFAOYSA-N 1 2 253.305 1.968 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C)c(C)c2)CC1 ZINC000125848001 264069426 /nfs/dbraw/zinc/06/94/26/264069426.db2.gz ODVXOXCZRYKUBS-INIZCTEOSA-N 1 2 299.418 1.563 20 30 CDEDLO CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccoc1 ZINC000330937617 264081857 /nfs/dbraw/zinc/08/18/57/264081857.db2.gz ARNCAWUFKFFYMZ-SNVBAGLBSA-N 1 2 267.329 1.539 20 30 CDEDLO CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccoc1 ZINC000330937617 264081858 /nfs/dbraw/zinc/08/18/58/264081858.db2.gz ARNCAWUFKFFYMZ-SNVBAGLBSA-N 1 2 267.329 1.539 20 30 CDEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc(CCOC)no1 ZINC000331124992 264132411 /nfs/dbraw/zinc/13/24/11/264132411.db2.gz HJISCRYQPXYLIC-LLVKDONJSA-N 1 2 251.330 1.799 20 30 CDEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(CCOC)no1 ZINC000331124992 264132413 /nfs/dbraw/zinc/13/24/13/264132413.db2.gz HJISCRYQPXYLIC-LLVKDONJSA-N 1 2 251.330 1.799 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccc(O)c(OCC)c2)nn1 ZINC000425359180 264140267 /nfs/dbraw/zinc/14/02/67/264140267.db2.gz VKIXZUBLNMTBON-UHFFFAOYSA-N 1 2 288.351 1.858 20 30 CDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cncs1 ZINC000331327571 264191385 /nfs/dbraw/zinc/19/13/85/264191385.db2.gz GQJKBXYKKMPAIB-UHFFFAOYSA-N 1 2 269.370 1.559 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331332074 264192246 /nfs/dbraw/zinc/19/22/46/264192246.db2.gz SAKHXQVJNKGETL-XJKSGUPXSA-N 1 2 295.427 1.788 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331332074 264192247 /nfs/dbraw/zinc/19/22/47/264192247.db2.gz SAKHXQVJNKGETL-XJKSGUPXSA-N 1 2 295.427 1.788 20 30 CDEDLO C=CCCn1cc(C[NH+]2CCC(OC)CC2)nn1 ZINC000653475509 423775281 /nfs/dbraw/zinc/77/52/81/423775281.db2.gz CLLPWLWQUTXEMU-UHFFFAOYSA-N 1 2 250.346 1.465 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCSCC1)[NH+]1CCSCC1 ZINC000162606847 264326778 /nfs/dbraw/zinc/32/67/78/264326778.db2.gz XCFCDMBNPNENES-NSHDSACASA-N 1 2 299.465 1.329 20 30 CDEDLO C=CC[N@H+](Cc1nc(C2CC2)nn1C)[C@H](C)COC ZINC000661241258 424076104 /nfs/dbraw/zinc/07/61/04/424076104.db2.gz ZGWRIYDKDZGRBO-LLVKDONJSA-N 1 2 264.373 1.715 20 30 CDEDLO C=CC[N@@H+](Cc1nc(C2CC2)nn1C)[C@H](C)COC ZINC000661241258 424076114 /nfs/dbraw/zinc/07/61/14/424076114.db2.gz ZGWRIYDKDZGRBO-LLVKDONJSA-N 1 2 264.373 1.715 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)nn1 ZINC000653692400 424436889 /nfs/dbraw/zinc/43/68/89/424436889.db2.gz NGJGIUKZFVWFEJ-LLVKDONJSA-N 1 2 286.326 1.304 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)nn1 ZINC000653692400 424436894 /nfs/dbraw/zinc/43/68/94/424436894.db2.gz NGJGIUKZFVWFEJ-LLVKDONJSA-N 1 2 286.326 1.304 20 30 CDEDLO CC[N@@H+](CC(=O)N[C@@H](CC(C)C)C(=O)OC)C[C@H](C)C#N ZINC000356468910 266120560 /nfs/dbraw/zinc/12/05/60/266120560.db2.gz CZNKSZUPEFLSIA-OLZOCXBDSA-N 1 2 297.399 1.172 20 30 CDEDLO CC[N@H+](CC(=O)N[C@@H](CC(C)C)C(=O)OC)C[C@H](C)C#N ZINC000356468910 266120561 /nfs/dbraw/zinc/12/05/61/266120561.db2.gz CZNKSZUPEFLSIA-OLZOCXBDSA-N 1 2 297.399 1.172 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1C ZINC000356732852 266166395 /nfs/dbraw/zinc/16/63/95/266166395.db2.gz ALFREJQKJGWYNZ-IJEWVQPXSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000362582811 267010521 /nfs/dbraw/zinc/01/05/21/267010521.db2.gz CGVZKPZPTNWEKG-ZDUSSCGKSA-N 1 2 297.443 1.646 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000362582811 267010524 /nfs/dbraw/zinc/01/05/24/267010524.db2.gz CGVZKPZPTNWEKG-ZDUSSCGKSA-N 1 2 297.443 1.646 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000363254324 267082614 /nfs/dbraw/zinc/08/26/14/267082614.db2.gz CSEMBMYZDLLZNY-ZBFHGGJFSA-N 1 2 286.375 1.506 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000363254324 267082615 /nfs/dbraw/zinc/08/26/15/267082615.db2.gz CSEMBMYZDLLZNY-ZBFHGGJFSA-N 1 2 286.375 1.506 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1ccc(C#N)cc1 ZINC000493201958 267282035 /nfs/dbraw/zinc/28/20/35/267282035.db2.gz GWGKBURUEWGUGB-QWGSZXSUSA-N 1 2 282.347 1.532 20 30 CDEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1cncc(C#N)n1 ZINC000420609418 267321450 /nfs/dbraw/zinc/32/14/50/267321450.db2.gz HNWWNQQKUPKYOA-UHFFFAOYSA-N 1 2 268.324 1.517 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1cnc(-c2cnn(C)c2)nc1 ZINC000370493589 267322856 /nfs/dbraw/zinc/32/28/56/267322856.db2.gz WMNPDMNGZYHLIL-CYBMUJFWSA-N 1 2 270.340 1.659 20 30 CDEDLO C#C[C@@H](C)NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296991955 277700419 /nfs/dbraw/zinc/70/04/19/277700419.db2.gz UMIUDRIULCQTAJ-MNOVXSKESA-N 1 2 260.341 1.534 20 30 CDEDLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1C#N ZINC000189799821 279012375 /nfs/dbraw/zinc/01/23/75/279012375.db2.gz NJDPRAZJSIWSGY-OAHLLOKOSA-N 1 2 271.364 1.905 20 30 CDEDLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1C#N ZINC000189799821 279012376 /nfs/dbraw/zinc/01/23/76/279012376.db2.gz NJDPRAZJSIWSGY-OAHLLOKOSA-N 1 2 271.364 1.905 20 30 CDEDLO CCOc1ccc(C#N)cc1NC(=O)NCCn1cc[nH+]c1 ZINC000056555876 279187542 /nfs/dbraw/zinc/18/75/42/279187542.db2.gz WIFMUDLZYLOCKM-UHFFFAOYSA-N 1 2 299.334 1.975 20 30 CDEDLO Cc1nnsc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000329966055 279243954 /nfs/dbraw/zinc/24/39/54/279243954.db2.gz VKPIXGDXBOQUGJ-MRVPVSSYSA-N 1 2 263.326 1.363 20 30 CDEDLO N#Cc1ccc(C(=O)NCCc2cn3ccccc3[nH+]2)[nH]1 ZINC000153934572 289187429 /nfs/dbraw/zinc/18/74/29/289187429.db2.gz LQSQLZIFAMAMLA-UHFFFAOYSA-N 1 2 279.303 1.507 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](F)C1 ZINC000334811527 289342191 /nfs/dbraw/zinc/34/21/91/289342191.db2.gz NCJIIWCYYMSBAG-NEPJUHHUSA-N 1 2 267.348 1.761 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](F)C1 ZINC000334811527 289342192 /nfs/dbraw/zinc/34/21/92/289342192.db2.gz NCJIIWCYYMSBAG-NEPJUHHUSA-N 1 2 267.348 1.761 20 30 CDEDLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000554888912 290196506 /nfs/dbraw/zinc/19/65/06/290196506.db2.gz MJHDBKUDWURPCZ-ZYHUDNBSSA-N 1 2 266.366 1.591 20 30 CDEDLO C[C@@H](O)C[C@@H]1COCC[N@H+]1Cc1cc(C#N)cs1 ZINC000554888912 290196508 /nfs/dbraw/zinc/19/65/08/290196508.db2.gz MJHDBKUDWURPCZ-ZYHUDNBSSA-N 1 2 266.366 1.591 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[S@](=O)C1 ZINC000335697408 297030183 /nfs/dbraw/zinc/03/01/83/297030183.db2.gz PJBZKXDSNNKZAF-XIKOKIGWSA-N 1 2 262.378 1.759 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[S@](=O)C1 ZINC000335697408 297030184 /nfs/dbraw/zinc/03/01/84/297030184.db2.gz PJBZKXDSNNKZAF-XIKOKIGWSA-N 1 2 262.378 1.759 20 30 CDEDLO Cc1cc(NC[C@@H](CO)Cc2ccco2)c(C#N)c[nH+]1 ZINC000568993802 294137358 /nfs/dbraw/zinc/13/73/58/294137358.db2.gz ZWHIVHWLBZXTCI-LBPRGKRZSA-N 1 2 271.320 1.540 20 30 CDEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cc2n(n1)CCCO2 ZINC000329958669 295385753 /nfs/dbraw/zinc/38/57/53/295385753.db2.gz QEJHKAAHKWMDBA-SNVBAGLBSA-N 1 2 287.323 1.182 20 30 CDEDLO Cc1cc(N2CC[S@@](=O)C[C@H](C)C2)c(C#N)c[nH+]1 ZINC000333538466 301342795 /nfs/dbraw/zinc/34/27/95/301342795.db2.gz ZLPYYSRXKUYBNM-MLCYQJTMSA-N 1 2 263.366 1.467 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(C#N)cn2)C1=O ZINC000571414243 328119816 /nfs/dbraw/zinc/11/98/16/328119816.db2.gz JQIZTSDDLZUNCA-AWEZNQCLSA-N 1 2 270.336 1.172 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cn2)C1=O ZINC000571414243 328119818 /nfs/dbraw/zinc/11/98/18/328119818.db2.gz JQIZTSDDLZUNCA-AWEZNQCLSA-N 1 2 270.336 1.172 20 30 CDEDLO CC[C@@H](C#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000265919379 328167147 /nfs/dbraw/zinc/16/71/47/328167147.db2.gz UGIDAKKGURMYLY-GJZGRUSLSA-N 1 2 287.363 1.306 20 30 CDEDLO CC[C@@H](C#N)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000265919379 328167148 /nfs/dbraw/zinc/16/71/48/328167148.db2.gz UGIDAKKGURMYLY-GJZGRUSLSA-N 1 2 287.363 1.306 20 30 CDEDLO COc1cc(C[NH+]2CCN(CCC#N)CC2)cc(OC)c1 ZINC000267027802 328171613 /nfs/dbraw/zinc/17/16/13/328171613.db2.gz LVOSIAYFFOEXCY-UHFFFAOYSA-N 1 2 289.379 1.735 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)C1(C#N)CCCC1 ZINC000269119073 328189771 /nfs/dbraw/zinc/18/97/71/328189771.db2.gz TVPNKJAJQYZDKA-UHFFFAOYSA-N 1 2 260.341 1.816 20 30 CDEDLO Cc1nsc(N2CC[NH+]([C@H](C)CCC#N)CC2)n1 ZINC000276354083 328217976 /nfs/dbraw/zinc/21/79/76/328217976.db2.gz XAHVXNSLFDBNMM-SNVBAGLBSA-N 1 2 265.386 1.661 20 30 CDEDLO Cc1cc(NC[C@H](O)COc2ccccc2)c(C#N)c[nH+]1 ZINC000578883582 324049474 /nfs/dbraw/zinc/04/94/74/324049474.db2.gz SUPYBPQTINKOHT-AWEZNQCLSA-N 1 2 283.331 1.535 20 30 CDEDLO CN(C)c1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000563815816 328521068 /nfs/dbraw/zinc/52/10/68/328521068.db2.gz UJJBCFKZKMMTFJ-OAHLLOKOSA-N 1 2 274.368 1.326 20 30 CDEDLO Cc1ccc2c(c1)CC[N@@H+](CC(=O)NC1(C#N)CCC1)C2 ZINC000558118199 327074615 /nfs/dbraw/zinc/07/46/15/327074615.db2.gz YUNNORFTYJXEAO-UHFFFAOYSA-N 1 2 283.375 1.916 20 30 CDEDLO Cc1ccc2c(c1)CC[N@H+](CC(=O)NC1(C#N)CCC1)C2 ZINC000558118199 327074616 /nfs/dbraw/zinc/07/46/16/327074616.db2.gz YUNNORFTYJXEAO-UHFFFAOYSA-N 1 2 283.375 1.916 20 30 CDEDLO CN(C(=O)C[NH2+]C[C@H](C#N)CCC#N)C1CCCCC1 ZINC000558674818 327113427 /nfs/dbraw/zinc/11/34/27/327113427.db2.gz NLVBHMAZJKARPN-ZDUSSCGKSA-N 1 2 276.384 1.811 20 30 CDEDLO Cn1cc[nH+]c1[C@H](CC(=O)NCCCC#N)C(F)(F)F ZINC000566449459 327370706 /nfs/dbraw/zinc/37/07/06/327370706.db2.gz WRQPIZXSMQRJNT-VIFPVBQESA-N 1 2 288.273 1.876 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000562341322 327473069 /nfs/dbraw/zinc/47/30/69/327473069.db2.gz FXAXUACBKALDBA-STQMWFEESA-N 1 2 274.368 1.948 20 30 CDEDLO CC(C)(C)[C@](C)(C#N)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000570689932 327611386 /nfs/dbraw/zinc/61/13/86/327611386.db2.gz BRSOBVKODHGHGU-HNNXBMFYSA-N 1 2 298.350 1.720 20 30 CDEDLO C=CCCCC(=O)N1CCC[N@@H+](CC(=O)OCC)CC1 ZINC000175450270 329168701 /nfs/dbraw/zinc/16/87/01/329168701.db2.gz HHXJPDWSBBXORE-UHFFFAOYSA-N 1 2 282.384 1.440 20 30 CDEDLO C=CCCCC(=O)N1CCC[N@H+](CC(=O)OCC)CC1 ZINC000175450270 329168702 /nfs/dbraw/zinc/16/87/02/329168702.db2.gz HHXJPDWSBBXORE-UHFFFAOYSA-N 1 2 282.384 1.440 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccccc1OC1CC1 ZINC000580452893 330139219 /nfs/dbraw/zinc/13/92/19/330139219.db2.gz KEBUSHAKJLUVFB-MRXNPFEDSA-N 1 2 287.363 1.801 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccc3c(c2)OCCO3)nn1 ZINC000424176897 330317455 /nfs/dbraw/zinc/31/74/55/330317455.db2.gz YXROUYRCWVXVPU-UHFFFAOYSA-N 1 2 286.335 1.525 20 30 CDEDLO C=CC[NH+](CC=C)CC(=O)N[C@H](C(C)=O)C(C)C ZINC000533239573 330354521 /nfs/dbraw/zinc/35/45/21/330354521.db2.gz CNTNDAXGFSFALI-AWEZNQCLSA-N 1 2 252.358 1.390 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(N)c2ccccc2[nH+]1 ZINC000515118101 330470809 /nfs/dbraw/zinc/47/08/09/330470809.db2.gz IASXPHZCJPIKJA-RISCZKNCSA-N 1 2 284.363 1.857 20 30 CDEDLO CNc1nc(N2CCC(F)(C#N)CC2)[nH+]c2ccccc21 ZINC000450531043 330985204 /nfs/dbraw/zinc/98/52/04/330985204.db2.gz RIVHLFSFAVKEJT-UHFFFAOYSA-N 1 2 285.326 1.925 20 30 CDEDLO C=CC(C)(C)CNC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000456119818 331184764 /nfs/dbraw/zinc/18/47/64/331184764.db2.gz TWSBAFAQZYXZPE-LBPRGKRZSA-N 1 2 264.373 1.351 20 30 CDEDLO C=CCC1(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCC1 ZINC000456198831 331186483 /nfs/dbraw/zinc/18/64/83/331186483.db2.gz GINICVATFHOTDN-OKILXGFUSA-N 1 2 278.396 1.712 20 30 CDEDLO C=CCC1(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCC1 ZINC000456198831 331186484 /nfs/dbraw/zinc/18/64/84/331186484.db2.gz GINICVATFHOTDN-OKILXGFUSA-N 1 2 278.396 1.712 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000456770532 331202217 /nfs/dbraw/zinc/20/22/17/331202217.db2.gz SCGWOEANORVERV-CYBMUJFWSA-N 1 2 287.363 1.939 20 30 CDEDLO C=C(CC)CNC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000456809065 331204482 /nfs/dbraw/zinc/20/44/82/331204482.db2.gz AIJICHGVCKCKEV-LBPRGKRZSA-N 1 2 250.346 1.105 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000459043617 331267970 /nfs/dbraw/zinc/26/79/70/331267970.db2.gz DLWSNQVRFMGSHG-NEPJUHHUSA-N 1 2 280.372 1.448 20 30 CDEDLO COCC1(O)C[NH+](Cc2cccc(OCCCC#N)c2)C1 ZINC000459632798 331291393 /nfs/dbraw/zinc/29/13/93/331291393.db2.gz FOLUMOCZTKCUHT-UHFFFAOYSA-N 1 2 290.363 1.562 20 30 CDEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459799287 331301566 /nfs/dbraw/zinc/30/15/66/331301566.db2.gz VJIAXNQSVMOMMG-LBPRGKRZSA-N 1 2 262.357 1.271 20 30 CDEDLO C#CCNC(=O)CC[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000491068428 332145060 /nfs/dbraw/zinc/14/50/60/332145060.db2.gz PGEIVZROGPGTAC-JTQLQIEISA-N 1 2 278.356 1.157 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000491230084 332170285 /nfs/dbraw/zinc/17/02/85/332170285.db2.gz KOUXEJBRLSRUQX-ZDUSSCGKSA-N 1 2 281.400 1.198 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000491277741 332179550 /nfs/dbraw/zinc/17/95/50/332179550.db2.gz PQOOTUCXACALFU-STQMWFEESA-N 1 2 274.368 1.732 20 30 CDEDLO C#C[C@H](CC)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000491536476 332231917 /nfs/dbraw/zinc/23/19/17/332231917.db2.gz JVPZHQKXVXQQTJ-GFCCVEGCSA-N 1 2 298.302 1.922 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000491567621 332239407 /nfs/dbraw/zinc/23/94/07/332239407.db2.gz MMVZGBRJPZAHHK-NSHDSACASA-N 1 2 276.767 1.836 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCc2cccc(Cl)c2C1 ZINC000491567621 332239408 /nfs/dbraw/zinc/23/94/08/332239408.db2.gz MMVZGBRJPZAHHK-NSHDSACASA-N 1 2 276.767 1.836 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000491673890 332280069 /nfs/dbraw/zinc/28/00/69/332280069.db2.gz WIXQFCXPFMIINP-LLVKDONJSA-N 1 2 270.336 1.806 20 30 CDEDLO C#C[C@H]1COCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000491714659 332304969 /nfs/dbraw/zinc/30/49/69/332304969.db2.gz HAIDMXXEUIQEJP-ZDUSSCGKSA-N 1 2 269.304 1.117 20 30 CDEDLO C#CCN(C(=O)NCc1cn2c(cccc2C)[nH+]1)C1CC1 ZINC000491725510 332309413 /nfs/dbraw/zinc/30/94/13/332309413.db2.gz BTIKZKZZVJLRBW-UHFFFAOYSA-N 1 2 282.347 1.950 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccnn1CC1CCCCC1 ZINC000491734425 332315160 /nfs/dbraw/zinc/31/51/60/332315160.db2.gz IXBKYZIAPJHDLN-UHFFFAOYSA-N 1 2 288.395 1.967 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccnn1CC1CCCCC1 ZINC000491734425 332315161 /nfs/dbraw/zinc/31/51/61/332315161.db2.gz IXBKYZIAPJHDLN-UHFFFAOYSA-N 1 2 288.395 1.967 20 30 CDEDLO C#C[C@H](CCC)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000491765826 332334063 /nfs/dbraw/zinc/33/40/63/332334063.db2.gz FVCDUDDNKHRCCG-GFCCVEGCSA-N 1 2 268.320 1.799 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(C(=O)OCC)cn1)C1CC1 ZINC000491778130 332343231 /nfs/dbraw/zinc/34/32/31/332343231.db2.gz HSJAHDOIDMNCPL-UHFFFAOYSA-N 1 2 258.321 1.856 20 30 CDEDLO C#CC[N@H+](Cc1ccc(C(=O)OCC)cn1)C1CC1 ZINC000491778130 332343232 /nfs/dbraw/zinc/34/32/32/332343232.db2.gz HSJAHDOIDMNCPL-UHFFFAOYSA-N 1 2 258.321 1.856 20 30 CDEDLO C#CC[N@H+](C[C@@H]1Cc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000491789533 332351619 /nfs/dbraw/zinc/35/16/19/332351619.db2.gz VEHONEYGKQSIJR-LSDHHAIUSA-N 1 2 289.400 1.449 20 30 CDEDLO C#CC[N@@H+](C[C@@H]1Cc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000491789533 332351620 /nfs/dbraw/zinc/35/16/20/332351620.db2.gz VEHONEYGKQSIJR-LSDHHAIUSA-N 1 2 289.400 1.449 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)NCC[NH+]1CCOCC1 ZINC000491834740 332371398 /nfs/dbraw/zinc/37/13/98/332371398.db2.gz ZRDNJYLOSZATQY-CYBMUJFWSA-N 1 2 267.373 1.069 20 30 CDEDLO COc1ccc(/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C)nc1 ZINC000493145299 332428100 /nfs/dbraw/zinc/42/81/00/332428100.db2.gz FVDRXOBEZXFXGO-PMGBHYCQSA-N 1 2 288.351 1.063 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000494727458 332484597 /nfs/dbraw/zinc/48/45/97/332484597.db2.gz INSKLSNCTUTRRQ-KBPBESRZSA-N 1 2 281.400 1.457 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2cccnc2s1 ZINC000576044266 335145228 /nfs/dbraw/zinc/14/52/28/335145228.db2.gz NLULSRDCORCKMU-AWEZNQCLSA-N 1 2 288.376 1.870 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)C[C@@H](C2CC2)O1 ZINC000548753162 334169663 /nfs/dbraw/zinc/16/96/63/334169663.db2.gz UYCVWWDFEPWTFY-AAEUAGOBSA-N 1 2 277.368 1.048 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)C[C@@H](C2CC2)O1 ZINC000548753162 334169664 /nfs/dbraw/zinc/16/96/64/334169664.db2.gz UYCVWWDFEPWTFY-AAEUAGOBSA-N 1 2 277.368 1.048 20 30 CDEDLO CC(C)CNC(=O)NC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081044613 334177168 /nfs/dbraw/zinc/17/71/68/334177168.db2.gz UVXOHQWRDGLLCC-UHFFFAOYSA-N 1 2 280.372 1.094 20 30 CDEDLO CC(C)CNC(=O)NC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081044613 334177169 /nfs/dbraw/zinc/17/71/69/334177169.db2.gz UVXOHQWRDGLLCC-UHFFFAOYSA-N 1 2 280.372 1.094 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000251026986 334354753 /nfs/dbraw/zinc/35/47/53/334354753.db2.gz HYDQCTVPCLIUEK-JSGCOSHPSA-N 1 2 257.337 1.661 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000251026986 334354754 /nfs/dbraw/zinc/35/47/54/334354754.db2.gz HYDQCTVPCLIUEK-JSGCOSHPSA-N 1 2 257.337 1.661 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CC2CCC1CC2 ZINC000566308901 334642205 /nfs/dbraw/zinc/64/22/05/334642205.db2.gz LBQSUDLWHQOCRJ-DVTFPSANSA-N 1 2 263.385 1.773 20 30 CDEDLO C=CCN1CC[C@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1=O ZINC000567902724 334773958 /nfs/dbraw/zinc/77/39/58/334773958.db2.gz XRIVLIZIUSQVJN-STQMWFEESA-N 1 2 290.367 1.080 20 30 CDEDLO CC(C)Cn1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cn1 ZINC000576402155 335199406 /nfs/dbraw/zinc/19/94/06/335199406.db2.gz BQMGOBZDUAQGIT-AWEZNQCLSA-N 1 2 277.372 1.113 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cc(F)c(F)c(F)c1 ZINC000577056727 335292009 /nfs/dbraw/zinc/29/20/09/335292009.db2.gz QZHLEIGHRSVQFQ-SNVBAGLBSA-N 1 2 287.285 1.722 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cc(F)c(F)c(F)c1 ZINC000577056727 335292010 /nfs/dbraw/zinc/29/20/10/335292010.db2.gz QZHLEIGHRSVQFQ-SNVBAGLBSA-N 1 2 287.285 1.722 20 30 CDEDLO C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1cccs1 ZINC000577161567 335312612 /nfs/dbraw/zinc/31/26/12/335312612.db2.gz VTIPAFWGMXLFKS-GXFFZTMASA-N 1 2 265.382 1.812 20 30 CDEDLO COc1cc(Cl)ccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000580686061 335322454 /nfs/dbraw/zinc/32/24/54/335322454.db2.gz HLUIDPIZJWGGPB-CQSZACIVSA-N 1 2 295.770 1.922 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000577497447 335359675 /nfs/dbraw/zinc/35/96/75/335359675.db2.gz YVQIQSXPAGPSHP-GZBFAFLISA-N 1 2 272.352 1.145 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000579113899 335710781 /nfs/dbraw/zinc/71/07/81/335710781.db2.gz WUTSVJPIRNSOTA-NEPJUHHUSA-N 1 2 260.341 1.454 20 30 CDEDLO Cc1ccc(O[C@@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000581432773 336076775 /nfs/dbraw/zinc/07/67/75/336076775.db2.gz KBWUTBIIFNVNMF-XJKSGUPXSA-N 1 2 289.379 1.722 20 30 CDEDLO COCC#CC[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000677820770 482302950 /nfs/dbraw/zinc/30/29/50/482302950.db2.gz WCVQABRKFPGGAE-UHFFFAOYSA-N 1 2 280.318 1.737 20 30 CDEDLO COCC#CC[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000677132609 482468763 /nfs/dbraw/zinc/46/87/63/482468763.db2.gz IORBSBNVQKPNPO-UHFFFAOYSA-N 1 2 298.390 1.102 20 30 CDEDLO COCC#CC[NH+]1CCN([C@@H](C)c2cccnc2)CC1 ZINC000677133239 482469380 /nfs/dbraw/zinc/46/93/80/482469380.db2.gz OAKSUKFOCDSYPA-HNNXBMFYSA-N 1 2 273.380 1.410 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000665722184 482576358 /nfs/dbraw/zinc/57/63/58/482576358.db2.gz ODRPBOPWXDDRPF-TUAOUCFPSA-N 1 2 278.356 1.415 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000665722184 482576359 /nfs/dbraw/zinc/57/63/59/482576359.db2.gz ODRPBOPWXDDRPF-TUAOUCFPSA-N 1 2 278.356 1.415 20 30 CDEDLO C=C[C@@H](O)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000669283698 482644406 /nfs/dbraw/zinc/64/44/06/482644406.db2.gz KZUQEJZFBPOACQ-CQSZACIVSA-N 1 2 285.347 1.437 20 30 CDEDLO COCC#CC[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000677820054 482795619 /nfs/dbraw/zinc/79/56/19/482795619.db2.gz WHFVORYAWOMWKO-KRWDZBQOSA-N 1 2 271.360 1.810 20 30 CDEDLO COCC#CC[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000677820054 482795626 /nfs/dbraw/zinc/79/56/26/482795626.db2.gz WHFVORYAWOMWKO-KRWDZBQOSA-N 1 2 271.360 1.810 20 30 CDEDLO C=CCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000055044018 482931934 /nfs/dbraw/zinc/93/19/34/482931934.db2.gz LJISWFHYTADZGR-ZDUSSCGKSA-N 1 2 270.336 1.995 20 30 CDEDLO C=CCN1CC[C@H](N(C)Cc2cn3cccc(C)c3[nH+]2)C1=O ZINC000685004276 483066637 /nfs/dbraw/zinc/06/66/37/483066637.db2.gz QEOPSXMIZPAOBD-HNNXBMFYSA-N 1 2 298.390 1.861 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cn3cccc(C)c3n2)C1=O ZINC000685004276 483066640 /nfs/dbraw/zinc/06/66/40/483066640.db2.gz QEOPSXMIZPAOBD-HNNXBMFYSA-N 1 2 298.390 1.861 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cn3cccc(C)c3n2)C1=O ZINC000685004276 483066645 /nfs/dbraw/zinc/06/66/45/483066645.db2.gz QEOPSXMIZPAOBD-HNNXBMFYSA-N 1 2 298.390 1.861 20 30 CDEDLO CCCC[N@@H+]1C[C@]2(F)CN(CCCC#N)C(=O)[C@]2(F)C1 ZINC001272467163 1161100939 /nfs/dbraw/zinc/10/09/39/1161100939.db2.gz NGOSCCLMSGQLIT-UONOGXRCSA-N 1 2 285.338 1.665 20 30 CDEDLO CCCC[N@H+]1C[C@]2(F)CN(CCCC#N)C(=O)[C@]2(F)C1 ZINC001272467163 1161100942 /nfs/dbraw/zinc/10/09/42/1161100942.db2.gz NGOSCCLMSGQLIT-UONOGXRCSA-N 1 2 285.338 1.665 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1coc(C)n1 ZINC001085562847 1161946145 /nfs/dbraw/zinc/94/61/45/1161946145.db2.gz XMQDZSMSOBJXSD-LBPRGKRZSA-N 1 2 261.325 1.153 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1coc(C)n1 ZINC001085562847 1161946149 /nfs/dbraw/zinc/94/61/49/1161946149.db2.gz XMQDZSMSOBJXSD-LBPRGKRZSA-N 1 2 261.325 1.153 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](CC=C)CC1 ZINC001112676310 1162050827 /nfs/dbraw/zinc/05/08/27/1162050827.db2.gz IPDKDQJBOXMKHT-ZDUSSCGKSA-N 1 2 252.358 1.298 20 30 CDEDLO C[C@H](C#N)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000347080006 534282978 /nfs/dbraw/zinc/28/29/78/534282978.db2.gz ICARJPVRDAIOGQ-SKDRFNHKSA-N 1 2 281.306 1.843 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](CCC)OC)CC1 ZINC001113188117 1162126592 /nfs/dbraw/zinc/12/65/92/1162126592.db2.gz BWHWREHVFLGYDO-AWEZNQCLSA-N 1 2 284.400 1.148 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338587263 522035596 /nfs/dbraw/zinc/03/55/96/522035596.db2.gz HOPAZUYSDMBHMS-CQSZACIVSA-N 1 2 264.300 1.473 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CC[C@](F)(CO)C1 ZINC000338587263 522035605 /nfs/dbraw/zinc/03/56/05/522035605.db2.gz HOPAZUYSDMBHMS-CQSZACIVSA-N 1 2 264.300 1.473 20 30 CDEDLO COc1ccc(C[N@@H+]2CCOCC23CC3)cc1C#N ZINC000338591219 524035201 /nfs/dbraw/zinc/03/52/01/524035201.db2.gz DUCZHCPSTJNRFA-UHFFFAOYSA-N 1 2 258.321 1.932 20 30 CDEDLO COc1ccc(C[N@H+]2CCOCC23CC3)cc1C#N ZINC000338591219 524035202 /nfs/dbraw/zinc/03/52/02/524035202.db2.gz DUCZHCPSTJNRFA-UHFFFAOYSA-N 1 2 258.321 1.932 20 30 CDEDLO C=CC[N@H+](CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 ZINC000109133544 526329467 /nfs/dbraw/zinc/32/94/67/526329467.db2.gz CCFIJRRLXZDQBR-AWEZNQCLSA-N 1 2 280.393 1.299 20 30 CDEDLO C=CC[N@@H+](CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 ZINC000109133544 526329473 /nfs/dbraw/zinc/32/94/73/526329473.db2.gz CCFIJRRLXZDQBR-AWEZNQCLSA-N 1 2 280.393 1.299 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000367138227 526587517 /nfs/dbraw/zinc/58/75/17/526587517.db2.gz OJHZUCVBQRSFTR-UHFFFAOYSA-N 1 2 289.335 1.381 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC=C(c2ccco2)C1 ZINC000367138227 526587522 /nfs/dbraw/zinc/58/75/22/526587522.db2.gz OJHZUCVBQRSFTR-UHFFFAOYSA-N 1 2 289.335 1.381 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000350464825 527047423 /nfs/dbraw/zinc/04/74/23/527047423.db2.gz XTRLLFMSIKHKHN-VXGBXAGGSA-N 1 2 262.357 1.852 20 30 CDEDLO C=CC[C@@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000347325118 527094310 /nfs/dbraw/zinc/09/43/10/527094310.db2.gz VSNHRHNJWIJUIL-RYUDHWBXSA-N 1 2 278.356 1.107 20 30 CDEDLO CCN1CCOC[C@H]1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000329365196 527720929 /nfs/dbraw/zinc/72/09/29/527720929.db2.gz ICHFILBMQMNJAW-ZDUSSCGKSA-N 1 2 288.351 1.512 20 30 CDEDLO COCCCNC(=O)C[N@H+](C)Cc1cc(C#N)cs1 ZINC000121461053 536559274 /nfs/dbraw/zinc/55/92/74/536559274.db2.gz WZBJVHXYNVHUNS-UHFFFAOYSA-N 1 2 281.381 1.204 20 30 CDEDLO COCCCNC(=O)C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000121461053 536559278 /nfs/dbraw/zinc/55/92/78/536559278.db2.gz WZBJVHXYNVHUNS-UHFFFAOYSA-N 1 2 281.381 1.204 20 30 CDEDLO C[C@H](NC(=O)N(C)CC[NH+]1CCOCC1)[C@@H]1CCCCO1 ZINC000329361529 538563026 /nfs/dbraw/zinc/56/30/26/538563026.db2.gz IMZVAPQONLCWKD-KBPBESRZSA-N 1 2 299.415 1.122 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH+](C3CCC3)CC2)s1 ZINC000335682317 574424989 /nfs/dbraw/zinc/42/49/89/574424989.db2.gz IOIYNVKNSXOBGQ-UHFFFAOYSA-N 1 2 275.377 1.930 20 30 CDEDLO N#CCSCC(=O)OCc1cccc2[nH+]ccn21 ZINC000770924062 575518102 /nfs/dbraw/zinc/51/81/02/575518102.db2.gz AYIFBBAQYISIPE-UHFFFAOYSA-N 1 2 261.306 1.634 20 30 CDEDLO Nc1ncccc1C=[NH+]Nc1ccc(-n2ccnc2)nn1 ZINC000761846550 576597309 /nfs/dbraw/zinc/59/73/09/576597309.db2.gz ONLNFYPLLLXJAW-UHFFFAOYSA-N 1 2 280.295 1.086 20 30 CDEDLO CC(C)Cc1nc(C#N)c(N=NCc2c[nH+]cn2C)o1 ZINC000755672508 575434399 /nfs/dbraw/zinc/43/43/99/575434399.db2.gz MUCNPQXGUIMTIC-UHFFFAOYSA-N 1 2 272.312 1.924 20 30 CDEDLO C[C@@H](C#N)CNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000770796573 575499719 /nfs/dbraw/zinc/49/97/19/575499719.db2.gz MZCODARYVSYMDW-RYUDHWBXSA-N 1 2 275.356 1.469 20 30 CDEDLO C=CCN(CC(=O)OCC)C(=O)c1cccc2[nH+]ccn21 ZINC000765224264 576000239 /nfs/dbraw/zinc/00/02/39/576000239.db2.gz KVWRGRGVUCAAEB-UHFFFAOYSA-N 1 2 287.319 1.526 20 30 CDEDLO C#CCCOC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000765463705 576026683 /nfs/dbraw/zinc/02/66/83/576026683.db2.gz FMLKEDICYWGDCR-INIZCTEOSA-N 1 2 287.359 1.751 20 30 CDEDLO CC#CCCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000765483944 576028822 /nfs/dbraw/zinc/02/88/22/576028822.db2.gz YYVPQOQHSKLHCR-INIZCTEOSA-N 1 2 287.359 1.844 20 30 CDEDLO CC#CCCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000765483944 576028824 /nfs/dbraw/zinc/02/88/24/576028824.db2.gz YYVPQOQHSKLHCR-INIZCTEOSA-N 1 2 287.359 1.844 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CCc2cccc(F)c2[C@H]1C ZINC000738337394 576060514 /nfs/dbraw/zinc/06/05/14/576060514.db2.gz BZDTWVNGIRXBHF-LLVKDONJSA-N 1 2 260.312 1.494 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000738337394 576060516 /nfs/dbraw/zinc/06/05/16/576060516.db2.gz BZDTWVNGIRXBHF-LLVKDONJSA-N 1 2 260.312 1.494 20 30 CDEDLO C=CCN(CC=C)C(=O)COC(=O)[C@H]1CCCC[N@H+]1CC ZINC000741149666 576540012 /nfs/dbraw/zinc/54/00/12/576540012.db2.gz SOIJMBYXYVQAES-CQSZACIVSA-N 1 2 294.395 1.605 20 30 CDEDLO C=CCN(CC=C)C(=O)COC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000741149666 576540014 /nfs/dbraw/zinc/54/00/14/576540014.db2.gz SOIJMBYXYVQAES-CQSZACIVSA-N 1 2 294.395 1.605 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000761111141 576550023 /nfs/dbraw/zinc/55/00/23/576550023.db2.gz XAOCREAVOWGQAM-UHFFFAOYSA-N 1 2 272.308 1.213 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000761111141 576550024 /nfs/dbraw/zinc/55/00/24/576550024.db2.gz XAOCREAVOWGQAM-UHFFFAOYSA-N 1 2 272.308 1.213 20 30 CDEDLO C[C@@H]1CC(=NC(=O)c2ccnc(-n3cc[nH+]c3)c2)NO1 ZINC000763261455 576727634 /nfs/dbraw/zinc/72/76/34/576727634.db2.gz XGEIUQFUUSGJLS-SECBINFHSA-N 1 2 271.280 1.119 20 30 CDEDLO C[C@@H]1CC(NC(=O)c2ccnc(-n3cc[nH+]c3)c2)=NO1 ZINC000763261455 576727636 /nfs/dbraw/zinc/72/76/36/576727636.db2.gz XGEIUQFUUSGJLS-SECBINFHSA-N 1 2 271.280 1.119 20 30 CDEDLO C[S@@](=O)CC[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000746477301 576778160 /nfs/dbraw/zinc/77/81/60/576778160.db2.gz ZMSZCNTVOMSZJP-HXUWFJFHSA-N 1 2 291.420 1.054 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cn1ccsc1=O ZINC000746603225 576785980 /nfs/dbraw/zinc/78/59/80/576785980.db2.gz MGKWCQJTEOVNKH-UHFFFAOYSA-N 1 2 259.334 1.871 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cc1)Cn1ccsc1=O ZINC000746603225 576785982 /nfs/dbraw/zinc/78/59/82/576785982.db2.gz MGKWCQJTEOVNKH-UHFFFAOYSA-N 1 2 259.334 1.871 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Cc2cccc(C)c2Cl)CC1 ZINC000754186893 576883794 /nfs/dbraw/zinc/88/37/94/576883794.db2.gz YEFFGWWMRDXIEX-UHFFFAOYSA-N 1 2 290.794 1.968 20 30 CDEDLO Cc1cc(=O)nc(NN=C2C[N@H+](C(C)C)C[C@@H]2C)[nH]1 ZINC000754255887 576888105 /nfs/dbraw/zinc/88/81/05/576888105.db2.gz SJFPRMCJQFUBHY-VIFPVBQESA-N 1 2 263.345 1.619 20 30 CDEDLO Cc1cc(=O)nc(NN=C2C[N@@H+](C(C)C)C[C@@H]2C)[nH]1 ZINC000754255887 576888107 /nfs/dbraw/zinc/88/81/07/576888107.db2.gz SJFPRMCJQFUBHY-VIFPVBQESA-N 1 2 263.345 1.619 20 30 CDEDLO Cc1cc(=O)[nH]c(N=NC2C[N@H+](C(C)C)C[C@@H]2C)n1 ZINC000754255887 576888109 /nfs/dbraw/zinc/88/81/09/576888109.db2.gz SJFPRMCJQFUBHY-VIFPVBQESA-N 1 2 263.345 1.619 20 30 CDEDLO Cc1cc(=O)[nH]c(N=NC2C[N@@H+](C(C)C)C[C@@H]2C)n1 ZINC000754255887 576888110 /nfs/dbraw/zinc/88/81/10/576888110.db2.gz SJFPRMCJQFUBHY-VIFPVBQESA-N 1 2 263.345 1.619 20 30 CDEDLO C=CCOCC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000754293766 576890951 /nfs/dbraw/zinc/89/09/51/576890951.db2.gz UTRILAGALGEDJQ-UHFFFAOYSA-N 1 2 297.424 1.215 20 30 CDEDLO COc1cc[nH+]cc1NC(=O)COc1cccc(C#N)c1 ZINC000748209054 576901633 /nfs/dbraw/zinc/90/16/33/576901633.db2.gz UOTMQALVGRPMRC-UHFFFAOYSA-N 1 2 283.287 1.979 20 30 CDEDLO Cc1[nH]c[nH+]c1C=NNC(=S)NCc1ccc(F)cc1 ZINC000755620349 576952297 /nfs/dbraw/zinc/95/22/97/576952297.db2.gz XGSQBZXIKADAKC-UHFFFAOYSA-N 1 2 291.355 1.855 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)O[NH+]=C(N)COC(C)C ZINC000749791861 576962090 /nfs/dbraw/zinc/96/20/90/576962090.db2.gz LGJFBMYCFCBMTE-GFCCVEGCSA-N 1 2 283.372 1.499 20 30 CDEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C[C@]2(CCOC2)CC1=O ZINC000756846930 577008663 /nfs/dbraw/zinc/00/86/63/577008663.db2.gz IPBMVMNTQMNOGJ-KRWDZBQOSA-N 1 2 299.374 1.587 20 30 CDEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C[C@]2(CCOC2)CC1=O ZINC000756846930 577008665 /nfs/dbraw/zinc/00/86/65/577008665.db2.gz IPBMVMNTQMNOGJ-KRWDZBQOSA-N 1 2 299.374 1.587 20 30 CDEDLO COC[C@H]1CCC[N@@H+]1Cn1ccc(C)c(C#N)c1=O ZINC000758229318 577085747 /nfs/dbraw/zinc/08/57/47/577085747.db2.gz FKLXKOVKCBCSPO-GFCCVEGCSA-N 1 2 261.325 1.097 20 30 CDEDLO COC[C@H]1CCC[N@H+]1Cn1ccc(C)c(C#N)c1=O ZINC000758229318 577085748 /nfs/dbraw/zinc/08/57/48/577085748.db2.gz FKLXKOVKCBCSPO-GFCCVEGCSA-N 1 2 261.325 1.097 20 30 CDEDLO C=CC1CC[NH+](Cn2nc3n(c2=O)CCCC3)CC1 ZINC000758324421 577098328 /nfs/dbraw/zinc/09/83/28/577098328.db2.gz PSIUDJPFDZJTNR-UHFFFAOYSA-N 1 2 262.357 1.237 20 30 CDEDLO CC[N@@H+](Cc1ccnc(-c2nn[nH]n2)c1)C[C@H](C)C#N ZINC000825439480 607492765 /nfs/dbraw/zinc/49/27/65/607492765.db2.gz DFECGSUXBBBQCT-SNVBAGLBSA-N 1 2 271.328 1.243 20 30 CDEDLO CC[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)C[C@H](C)C#N ZINC000825439480 607492767 /nfs/dbraw/zinc/49/27/67/607492767.db2.gz DFECGSUXBBBQCT-SNVBAGLBSA-N 1 2 271.328 1.243 20 30 CDEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000826381042 608580021 /nfs/dbraw/zinc/58/00/21/608580021.db2.gz VTRUXQBESRVFOD-GWCFXTLKSA-N 1 2 286.314 1.788 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc3nonc3c2)C1 ZINC000951596077 612992136 /nfs/dbraw/zinc/99/21/36/612992136.db2.gz OWXVVFLCNDAOGV-UHFFFAOYSA-N 1 2 298.346 1.392 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cccc(OC)n2)C1 ZINC000957076692 612992618 /nfs/dbraw/zinc/99/26/18/612992618.db2.gz DRTZQAPLUHSHOG-UHFFFAOYSA-N 1 2 287.363 1.260 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2csnc2C)C1 ZINC000949926369 612992903 /nfs/dbraw/zinc/99/29/03/612992903.db2.gz CZIHGBYTCKMYKB-UHFFFAOYSA-N 1 2 277.393 1.621 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ncoc2C(C)C)C1 ZINC000957102184 612993454 /nfs/dbraw/zinc/99/34/54/612993454.db2.gz LODDLFQAMOEHNZ-UHFFFAOYSA-N 1 2 289.379 1.968 20 30 CDEDLO C#CCC[NH+]1CC([C@H](C)NC(=O)c2cncc3nc[nH]c32)C1 ZINC000969718825 612998204 /nfs/dbraw/zinc/99/82/04/612998204.db2.gz VPXADKQQCFAFRK-NSHDSACASA-N 1 2 297.362 1.031 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CCCC3)C2)C1 ZINC000972209722 613210983 /nfs/dbraw/zinc/21/09/83/613210983.db2.gz APQHIOVRKMPKAY-INIZCTEOSA-N 1 2 276.380 1.113 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CCCC3)C2)C1 ZINC000972209722 613210984 /nfs/dbraw/zinc/21/09/84/613210984.db2.gz APQHIOVRKMPKAY-INIZCTEOSA-N 1 2 276.380 1.113 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnn3c2CCC3)C1 ZINC000950469713 613297310 /nfs/dbraw/zinc/29/73/10/613297310.db2.gz PCHBYLSCDVECJW-UHFFFAOYSA-N 1 2 288.395 1.552 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cncnc2C(C)C)CC1 ZINC000957678264 613321789 /nfs/dbraw/zinc/32/17/89/613321789.db2.gz NEHYXKHDMYZMJO-UHFFFAOYSA-N 1 2 288.395 1.934 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)c2cc[nH]c(=O)c2)CC1 ZINC000980957921 613373979 /nfs/dbraw/zinc/37/39/79/613373979.db2.gz MDKUTBQKLXCTSJ-UHFFFAOYSA-N 1 2 295.770 1.688 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)c2cc[nH]c(=O)c2)CC1 ZINC000980957921 613373980 /nfs/dbraw/zinc/37/39/80/613373980.db2.gz MDKUTBQKLXCTSJ-UHFFFAOYSA-N 1 2 295.770 1.688 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ncccn4)C[C@H]32)C1 ZINC000961692600 613402258 /nfs/dbraw/zinc/40/22/58/613402258.db2.gz ZMTNINRVQVIWIG-NHAGDIPZSA-N 1 2 298.390 1.379 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ncccn4)C[C@H]32)C1 ZINC000961692600 613402262 /nfs/dbraw/zinc/40/22/62/613402262.db2.gz ZMTNINRVQVIWIG-NHAGDIPZSA-N 1 2 298.390 1.379 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000981887723 613501949 /nfs/dbraw/zinc/50/19/49/613501949.db2.gz NQTBOFCZKCQEPX-CZUORRHYSA-N 1 2 293.411 1.012 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000981887723 613501950 /nfs/dbraw/zinc/50/19/50/613501950.db2.gz NQTBOFCZKCQEPX-CZUORRHYSA-N 1 2 293.411 1.012 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C2C=CC=CC=C2)CC1 ZINC000948577022 613561171 /nfs/dbraw/zinc/56/11/71/613561171.db2.gz AUEDJFIDMWPRAI-UHFFFAOYSA-N 1 2 256.349 1.452 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCc2ccccc2)CC1 ZINC000957435207 613561644 /nfs/dbraw/zinc/56/16/44/613561644.db2.gz WULMRBKWJZXEDH-UHFFFAOYSA-N 1 2 270.376 1.787 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(CC)CC)C2)C1 ZINC000972274693 613570104 /nfs/dbraw/zinc/57/01/04/613570104.db2.gz IVASZOUAGWIJRL-KRWDZBQOSA-N 1 2 292.423 1.749 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(CC)CC)C2)C1 ZINC000972274693 613570105 /nfs/dbraw/zinc/57/01/05/613570105.db2.gz IVASZOUAGWIJRL-KRWDZBQOSA-N 1 2 292.423 1.749 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C)C(C)(C)C1 ZINC000974734154 613610133 /nfs/dbraw/zinc/61/01/33/613610133.db2.gz VLUANZGUKTTWPT-HUUCEWRRSA-N 1 2 291.439 1.321 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C)C(C)(C)C1 ZINC000974734154 613610135 /nfs/dbraw/zinc/61/01/35/613610135.db2.gz VLUANZGUKTTWPT-HUUCEWRRSA-N 1 2 291.439 1.321 20 30 CDEDLO CC#CCN1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000974734154 613610136 /nfs/dbraw/zinc/61/01/36/613610136.db2.gz VLUANZGUKTTWPT-HUUCEWRRSA-N 1 2 291.439 1.321 20 30 CDEDLO CC#CCN1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000974734154 613610138 /nfs/dbraw/zinc/61/01/38/613610138.db2.gz VLUANZGUKTTWPT-HUUCEWRRSA-N 1 2 291.439 1.321 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@]23CCOC3)C1 ZINC000957109148 613655898 /nfs/dbraw/zinc/65/58/98/613655898.db2.gz VTUZDYPYIUFQOD-HIFRSBDPSA-N 1 2 264.369 1.132 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cccc3nnn(C)c32)C1 ZINC000957469621 613657909 /nfs/dbraw/zinc/65/79/09/613657909.db2.gz QFSQJELKXFTOOE-UHFFFAOYSA-N 1 2 299.378 1.301 20 30 CDEDLO C[C@H](CC(=O)N(CC#N)c1ccccn1)n1cc[nH+]c1 ZINC000892473154 617402235 /nfs/dbraw/zinc/40/22/35/617402235.db2.gz PDBFRNKLLHRWSL-GFCCVEGCSA-N 1 2 269.308 1.786 20 30 CDEDLO C#CCN1CCN(c2cc(CC)[nH+]c(CC)n2)CC1 ZINC000891677972 617534537 /nfs/dbraw/zinc/53/45/37/617534537.db2.gz JNHRRPDSVRRGNS-UHFFFAOYSA-N 1 2 258.369 1.357 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(SCC)CC1 ZINC000856067163 617611519 /nfs/dbraw/zinc/61/15/19/617611519.db2.gz SOGREZVTYRCDHZ-LBPRGKRZSA-N 1 2 266.410 1.486 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(SCC)CC1 ZINC000856067163 617611523 /nfs/dbraw/zinc/61/15/23/617611523.db2.gz SOGREZVTYRCDHZ-LBPRGKRZSA-N 1 2 266.410 1.486 20 30 CDEDLO C=C1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000892838356 617815132 /nfs/dbraw/zinc/81/51/32/617815132.db2.gz MXYZBAHXPHWDAR-KGLIPLIRSA-N 1 2 281.400 1.457 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnn(C3CCC3)c2)C1=O ZINC000894230227 618739251 /nfs/dbraw/zinc/73/92/51/618739251.db2.gz BSWXUHZAKUXNDK-OAHLLOKOSA-N 1 2 288.395 1.827 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnn(C3CCC3)c2)C1=O ZINC000894230227 618739253 /nfs/dbraw/zinc/73/92/53/618739253.db2.gz BSWXUHZAKUXNDK-OAHLLOKOSA-N 1 2 288.395 1.827 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2ccnc(Cl)c2F)CCCN1O ZINC000895158503 619375434 /nfs/dbraw/zinc/37/54/34/619375434.db2.gz KTGPQMZPAQTXMG-MRVPVSSYSA-N 1 2 273.695 1.344 20 30 CDEDLO Cc1ccnc(N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c1C#N ZINC000895248097 619488582 /nfs/dbraw/zinc/48/85/82/619488582.db2.gz YOSAAHFRSYCBJV-OCCSQVGLSA-N 1 2 273.384 1.308 20 30 CDEDLO Cc1ccnc(N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)c1C#N ZINC000895248097 619488584 /nfs/dbraw/zinc/48/85/84/619488584.db2.gz YOSAAHFRSYCBJV-OCCSQVGLSA-N 1 2 273.384 1.308 20 30 CDEDLO CCn1c[nH+]c2c1CCN(c1cc(C#N)nc(C)n1)C2 ZINC000896654945 620184766 /nfs/dbraw/zinc/18/47/66/620184766.db2.gz RSOAPKJGDQBKBT-UHFFFAOYSA-N 1 2 268.324 1.436 20 30 CDEDLO CC#CC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000897167863 620399375 /nfs/dbraw/zinc/39/93/75/620399375.db2.gz UVJXOQUZVIUENB-UHFFFAOYSA-N 1 2 264.281 1.764 20 30 CDEDLO CC#CC[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000897167863 620399377 /nfs/dbraw/zinc/39/93/77/620399377.db2.gz UVJXOQUZVIUENB-UHFFFAOYSA-N 1 2 264.281 1.764 20 30 CDEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCC(C)(C)C#N)[nH]n1 ZINC000897356172 620567465 /nfs/dbraw/zinc/56/74/65/620567465.db2.gz NYWQOKVFRYZNSU-GFCCVEGCSA-N 1 2 275.356 1.456 20 30 CDEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCC(C)(C)C#N)[nH]n1 ZINC000897356172 620567467 /nfs/dbraw/zinc/56/74/67/620567467.db2.gz NYWQOKVFRYZNSU-GFCCVEGCSA-N 1 2 275.356 1.456 20 30 CDEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCCCC#N)[nH]n1 ZINC000897368329 620620526 /nfs/dbraw/zinc/62/05/26/620620526.db2.gz OUSXOAKBGVIDTC-LBPRGKRZSA-N 1 2 261.329 1.210 20 30 CDEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCCCC#N)[nH]n1 ZINC000897368329 620620528 /nfs/dbraw/zinc/62/05/28/620620528.db2.gz OUSXOAKBGVIDTC-LBPRGKRZSA-N 1 2 261.329 1.210 20 30 CDEDLO C#CC[N@H+](CN1C(=O)C(C)(C)[C@@H]1[C@H]1CCCO1)C(C)C ZINC000905749123 626945102 /nfs/dbraw/zinc/94/51/02/626945102.db2.gz MOLPHNNZYBXKSN-KGLIPLIRSA-N 1 2 278.396 1.704 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)C(C)(C)[C@@H]1[C@H]1CCCO1)C(C)C ZINC000905749123 626945104 /nfs/dbraw/zinc/94/51/04/626945104.db2.gz MOLPHNNZYBXKSN-KGLIPLIRSA-N 1 2 278.396 1.704 20 30 CDEDLO C=CC[C@H](C)NC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906725342 627398870 /nfs/dbraw/zinc/39/88/70/627398870.db2.gz QVZKXXUMUINAHZ-AWEZNQCLSA-N 1 2 291.395 1.515 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000920418204 632774211 /nfs/dbraw/zinc/77/42/11/632774211.db2.gz YJXKPAKZCKGUDH-UHFFFAOYSA-N 1 2 285.347 1.807 20 30 CDEDLO C#CCC[N@H+](CCOC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000920418204 632774219 /nfs/dbraw/zinc/77/42/19/632774219.db2.gz YJXKPAKZCKGUDH-UHFFFAOYSA-N 1 2 285.347 1.807 20 30 CDEDLO Cn1c[nH+]cc1CCOC(=O)C1(C#N)CCCCC1 ZINC000793249716 1162405599 /nfs/dbraw/zinc/40/55/99/1162405599.db2.gz ATPKEXXHVAYDHI-UHFFFAOYSA-N 1 2 261.325 1.980 20 30 CDEDLO C=C/C(=N\COC)c1ccc(C[NH+]2CC(O)C2)cc1 ZINC001243637725 1162462880 /nfs/dbraw/zinc/46/28/80/1162462880.db2.gz ATZFTEHFDPCCAP-FOCLMDBBSA-N 1 2 260.337 1.442 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCOC)CC[C@@H]1C ZINC001131734837 1163020856 /nfs/dbraw/zinc/02/08/56/1163020856.db2.gz LYPZHLPOGFDHTD-NWDGAFQWSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCOC)CC[C@@H]1C ZINC001131734837 1163020861 /nfs/dbraw/zinc/02/08/61/1163020861.db2.gz LYPZHLPOGFDHTD-NWDGAFQWSA-N 1 2 274.792 1.745 20 30 CDEDLO COCC#CC[N@@H+]1C[C@H](NC(=O)C(C)(F)F)CC[C@@H]1C ZINC001131737999 1163023062 /nfs/dbraw/zinc/02/30/62/1163023062.db2.gz CZDOHWCMBFIZJA-NWDGAFQWSA-N 1 2 288.338 1.261 20 30 CDEDLO COCC#CC[N@H+]1C[C@H](NC(=O)C(C)(F)F)CC[C@@H]1C ZINC001131737999 1163023068 /nfs/dbraw/zinc/02/30/68/1163023068.db2.gz CZDOHWCMBFIZJA-NWDGAFQWSA-N 1 2 288.338 1.261 20 30 CDEDLO C#CC(=O)N1CC2(CC[N@H+]2Cc2ccc(NC(C)=O)cc2)C1 ZINC001268942729 1160024494 /nfs/dbraw/zinc/02/44/94/1160024494.db2.gz ZLFDCWFZFAXSTH-UHFFFAOYSA-N 1 2 297.358 1.065 20 30 CDEDLO C#CC(=O)N1CC2(CC[N@@H+]2Cc2ccc(NC(C)=O)cc2)C1 ZINC001268942729 1160024501 /nfs/dbraw/zinc/02/45/01/1160024501.db2.gz ZLFDCWFZFAXSTH-UHFFFAOYSA-N 1 2 297.358 1.065 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H]1OC ZINC001212022129 1160614130 /nfs/dbraw/zinc/61/41/30/1160614130.db2.gz BMVXNRKXSNHMIZ-ZIAGYGMSSA-N 1 2 293.367 1.265 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H]1OC ZINC001212022129 1160614136 /nfs/dbraw/zinc/61/41/36/1160614136.db2.gz BMVXNRKXSNHMIZ-ZIAGYGMSSA-N 1 2 293.367 1.265 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](C[C@@H](F)CC)C[C@H]2O)C1 ZINC001077641859 1161318609 /nfs/dbraw/zinc/31/86/09/1161318609.db2.gz LARPQQQAFZYKAZ-YNEHKIRRSA-N 1 2 284.375 1.252 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](C[C@@H](F)CC)C[C@H]2O)C1 ZINC001077641859 1161318612 /nfs/dbraw/zinc/31/86/12/1161318612.db2.gz LARPQQQAFZYKAZ-YNEHKIRRSA-N 1 2 284.375 1.252 20 30 CDEDLO Cc1ccc(C(=NO)Nc2cc[nH+]c(CC#N)c2)nc1 ZINC001169411649 1162007232 /nfs/dbraw/zinc/00/72/32/1162007232.db2.gz CKPDDTJKRHHBSW-UHFFFAOYSA-N 1 2 267.292 1.521 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132332443 1163244152 /nfs/dbraw/zinc/24/41/52/1163244152.db2.gz UOBCJWIOFDTHPX-RYUDHWBXSA-N 1 2 281.400 1.043 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001132332443 1163244157 /nfs/dbraw/zinc/24/41/57/1163244157.db2.gz UOBCJWIOFDTHPX-RYUDHWBXSA-N 1 2 281.400 1.043 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nc(C2CCC2)no1 ZINC001132391239 1163274033 /nfs/dbraw/zinc/27/40/33/1163274033.db2.gz FPFUJZWBUVRJJE-UHFFFAOYSA-N 1 2 292.383 1.755 20 30 CDEDLO N#Cc1cccc(C[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)c1 ZINC000865412922 1164642792 /nfs/dbraw/zinc/64/27/92/1164642792.db2.gz XWJKFXAWGJDJHD-MRXNPFEDSA-N 1 2 297.362 1.619 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1sccc1C#N ZINC001650064525 1169675633 /nfs/dbraw/zinc/67/56/33/1169675633.db2.gz QECUCWNHGYKFCN-SNVBAGLBSA-N 1 2 294.380 1.462 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1sccc1C#N ZINC001650064525 1169675643 /nfs/dbraw/zinc/67/56/43/1169675643.db2.gz QECUCWNHGYKFCN-SNVBAGLBSA-N 1 2 294.380 1.462 20 30 CDEDLO C=CCn1c(CC)nnc1N1CCC[C@H]([NH2+]CC(F)F)C1 ZINC001574954639 1171061019 /nfs/dbraw/zinc/06/10/19/1171061019.db2.gz OUJLKQOFLASLEU-NSHDSACASA-N 1 2 299.369 1.850 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)Nc1nc2cc(C#N)ccc2[nH]1 ZINC001586345907 1172943300 /nfs/dbraw/zinc/94/33/00/1172943300.db2.gz AUOGBABYZYBOLY-UHFFFAOYSA-N 1 2 280.291 1.647 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNc2cc(C#N)cc(Cl)n2)C1 ZINC000122851162 1175245976 /nfs/dbraw/zinc/24/59/76/1175245976.db2.gz VRBUXUATWVSZJR-JTQLQIEISA-N 1 2 266.732 1.349 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNc2cc(C#N)cc(Cl)n2)C1 ZINC000122851162 1175245981 /nfs/dbraw/zinc/24/59/81/1175245981.db2.gz VRBUXUATWVSZJR-JTQLQIEISA-N 1 2 266.732 1.349 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC001602720089 1175373235 /nfs/dbraw/zinc/37/32/35/1175373235.db2.gz NJOTVUYSIADKSS-UHFFFAOYSA-N 1 2 298.350 1.149 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC001602720089 1175373240 /nfs/dbraw/zinc/37/32/40/1175373240.db2.gz NJOTVUYSIADKSS-UHFFFAOYSA-N 1 2 298.350 1.149 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CO[C@@H](C)CC ZINC001713449795 1178569659 /nfs/dbraw/zinc/56/96/59/1178569659.db2.gz UXUHXVAGQCICRS-NSHDSACASA-N 1 2 262.781 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CO[C@@H](C)CC ZINC001713449795 1178569663 /nfs/dbraw/zinc/56/96/63/1178569663.db2.gz UXUHXVAGQCICRS-NSHDSACASA-N 1 2 262.781 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCOC1 ZINC001715515773 1179693318 /nfs/dbraw/zinc/69/33/18/1179693318.db2.gz QHEGERYMIYOKKJ-LLVKDONJSA-N 1 2 260.765 1.166 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCOC1 ZINC001715515773 1179693322 /nfs/dbraw/zinc/69/33/22/1179693322.db2.gz QHEGERYMIYOKKJ-LLVKDONJSA-N 1 2 260.765 1.166 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](CC)OCC ZINC001731765191 1182556896 /nfs/dbraw/zinc/55/68/96/1182556896.db2.gz BDALHSILCIKNRG-NSHDSACASA-N 1 2 262.781 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](CC)OCC ZINC001731765191 1182556895 /nfs/dbraw/zinc/55/68/95/1182556895.db2.gz BDALHSILCIKNRG-NSHDSACASA-N 1 2 262.781 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccnc(C)n1 ZINC001731795936 1182588037 /nfs/dbraw/zinc/58/80/37/1182588037.db2.gz ZHWLAQIBDUEYHL-UHFFFAOYSA-N 1 2 268.748 1.199 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccnc(C)n1 ZINC001731795936 1182588042 /nfs/dbraw/zinc/58/80/42/1182588042.db2.gz ZHWLAQIBDUEYHL-UHFFFAOYSA-N 1 2 268.748 1.199 20 30 CDEDLO C=CCCC(=O)NC1C[NH+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC001753372019 1184474093 /nfs/dbraw/zinc/47/40/93/1184474093.db2.gz CNRDVJXXJIAQGY-YPMHNXCESA-N 1 2 252.358 1.321 20 30 CDEDLO C#CCO[C@@H](C)C(=O)NCCC[N@H+](C)Cc1nccs1 ZINC001751974721 1184801863 /nfs/dbraw/zinc/80/18/63/1184801863.db2.gz JJRSMCISGWQVKK-LBPRGKRZSA-N 1 2 295.408 1.120 20 30 CDEDLO C#CCO[C@@H](C)C(=O)NCCC[N@@H+](C)Cc1nccs1 ZINC001751974721 1184801864 /nfs/dbraw/zinc/80/18/64/1184801864.db2.gz JJRSMCISGWQVKK-LBPRGKRZSA-N 1 2 295.408 1.120 20 30 CDEDLO C=C(C)CCC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1nc(C)no1 ZINC001752876597 1184946602 /nfs/dbraw/zinc/94/66/02/1184946602.db2.gz CJZIBJLAERKBRK-MNOVXSKESA-N 1 2 280.372 1.890 20 30 CDEDLO C#CCOCCC(=O)NC1C[NH+](Cc2cccc(C)c2)C1 ZINC001753377733 1185178101 /nfs/dbraw/zinc/17/81/01/1185178101.db2.gz KEGTTYFUXVYEOP-UHFFFAOYSA-N 1 2 286.375 1.335 20 30 CDEDLO CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@H]1CCN(CC#N)C1 ZINC001753459594 1185219836 /nfs/dbraw/zinc/21/98/36/1185219836.db2.gz RRWRTASMXVKNMG-KBPBESRZSA-N 1 2 289.383 1.281 20 30 CDEDLO CC#CC[NH2+]C/C=C\CNC(=O)c1cccc2nc[nH]c21 ZINC001754185513 1185497772 /nfs/dbraw/zinc/49/77/72/1185497772.db2.gz AEGQTGJDDYRNJR-PLNGDYQASA-N 1 2 282.347 1.462 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](CC)OC ZINC001754300861 1185560740 /nfs/dbraw/zinc/56/07/40/1185560740.db2.gz FPYGYIZKPBUZLZ-MNOVXSKESA-N 1 2 262.781 1.600 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](CC)OC ZINC001754300861 1185560743 /nfs/dbraw/zinc/56/07/43/1185560743.db2.gz FPYGYIZKPBUZLZ-MNOVXSKESA-N 1 2 262.781 1.600 20 30 CDEDLO C=CCOCC(=O)N[C@H](C)C[N@H+](C)[C@H](C)c1ncc(C)o1 ZINC001754304697 1185563578 /nfs/dbraw/zinc/56/35/78/1185563578.db2.gz GHTRUJVELUSDLH-DGCLKSJQSA-N 1 2 295.383 1.683 20 30 CDEDLO C=CCOCC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)c1ncc(C)o1 ZINC001754304697 1185563581 /nfs/dbraw/zinc/56/35/81/1185563581.db2.gz GHTRUJVELUSDLH-DGCLKSJQSA-N 1 2 295.383 1.683 20 30 CDEDLO C=C1CC(C)(C(=O)NC[C@@H]2COCC[N@H+]2CCC)C1 ZINC001754972031 1185774899 /nfs/dbraw/zinc/77/48/99/1185774899.db2.gz VXPHVWQRJHZSDX-CYBMUJFWSA-N 1 2 266.385 1.570 20 30 CDEDLO C=C1CC(C)(C(=O)NC[C@@H]2COCC[N@@H+]2CCC)C1 ZINC001754972031 1185774903 /nfs/dbraw/zinc/77/49/03/1185774903.db2.gz VXPHVWQRJHZSDX-CYBMUJFWSA-N 1 2 266.385 1.570 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCN(CC#N)CC1 ZINC001755029159 1185791147 /nfs/dbraw/zinc/79/11/47/1185791147.db2.gz MBBPUAMOHZXNJS-CHWSQXEVSA-N 1 2 289.383 1.083 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCN(CC#N)CC1 ZINC001755029159 1185791151 /nfs/dbraw/zinc/79/11/51/1185791151.db2.gz MBBPUAMOHZXNJS-CHWSQXEVSA-N 1 2 289.383 1.083 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CC=CC2)[C@H](O)C1 ZINC001090550444 1164221593 /nfs/dbraw/zinc/22/15/93/1164221593.db2.gz RYMDWCOFIFQQKB-CHWSQXEVSA-N 1 2 298.814 1.647 20 30 CDEDLO C=CC[NH+]1CCN(c2nc(Cl)ncc2COCC)CC1 ZINC001165032509 721869599 /nfs/dbraw/zinc/86/95/99/721869599.db2.gz WEDKIRNPJBAOQD-UHFFFAOYSA-N 1 2 296.802 1.975 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(F)c1F ZINC001038647972 728754542 /nfs/dbraw/zinc/75/45/42/728754542.db2.gz ZEVOZWWJNGFYRD-NSHDSACASA-N 1 2 278.302 1.792 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(F)c1F ZINC001038647972 728754550 /nfs/dbraw/zinc/75/45/50/728754550.db2.gz ZEVOZWWJNGFYRD-NSHDSACASA-N 1 2 278.302 1.792 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2cc(F)ccc2[nH]1 ZINC001032554268 728797565 /nfs/dbraw/zinc/79/75/65/728797565.db2.gz UBZOLADJXGLTAO-KBPBESRZSA-N 1 2 297.333 1.839 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2cc(F)ccc2[nH]1 ZINC001032554268 728797572 /nfs/dbraw/zinc/79/75/72/728797572.db2.gz UBZOLADJXGLTAO-KBPBESRZSA-N 1 2 297.333 1.839 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2OCC)C1 ZINC001042504738 728807368 /nfs/dbraw/zinc/80/73/68/728807368.db2.gz NVZPJQSMSRBGMF-CHWSQXEVSA-N 1 2 252.358 1.130 20 30 CDEDLO C=C(Cl)CN1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000989564734 728816647 /nfs/dbraw/zinc/81/66/47/728816647.db2.gz LXHZTEBNNKLKDN-UHFFFAOYSA-N 1 2 296.802 1.547 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnc(C)cn2)C1 ZINC001042432784 728823269 /nfs/dbraw/zinc/82/32/69/728823269.db2.gz GTBONYALCACHJD-UHFFFAOYSA-N 1 2 260.341 1.117 20 30 CDEDLO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1nnnn1C1CC1 ZINC000790537151 728826653 /nfs/dbraw/zinc/82/66/53/728826653.db2.gz CKXOLOYOQRFBKA-NSHDSACASA-N 1 2 298.350 1.761 20 30 CDEDLO CC(C)[C@H](C)NC(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000198442076 728832051 /nfs/dbraw/zinc/83/20/51/728832051.db2.gz PGQIUKUCYUTTNO-JTQLQIEISA-N 1 2 281.331 1.623 20 30 CDEDLO Cc1[nH]c(C2CCN(CC(=O)NCCC#N)CC2)[nH+]c1C ZINC000886669690 728835031 /nfs/dbraw/zinc/83/50/31/728835031.db2.gz CFWLRWMOGBUWCA-UHFFFAOYSA-N 1 2 289.383 1.236 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C)c1C ZINC001017426698 728841542 /nfs/dbraw/zinc/84/15/42/728841542.db2.gz BBRPLKSACBUJHE-OKILXGFUSA-N 1 2 286.379 1.339 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C)c1C ZINC001017426698 728841543 /nfs/dbraw/zinc/84/15/43/728841543.db2.gz BBRPLKSACBUJHE-OKILXGFUSA-N 1 2 286.379 1.339 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)c1 ZINC000866120261 728841983 /nfs/dbraw/zinc/84/19/83/728841983.db2.gz UQKXSCNYGQDUOY-NSHDSACASA-N 1 2 264.304 1.050 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@H+](CCF)C2)c1 ZINC000866120261 728841984 /nfs/dbraw/zinc/84/19/84/728841984.db2.gz UQKXSCNYGQDUOY-NSHDSACASA-N 1 2 264.304 1.050 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(COC)c1 ZINC001017628090 728850298 /nfs/dbraw/zinc/85/02/98/728850298.db2.gz GALOIDAYDCYSJA-IYBDPMFKSA-N 1 2 299.374 1.150 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(COC)c1 ZINC001017628090 728850299 /nfs/dbraw/zinc/85/02/99/728850299.db2.gz GALOIDAYDCYSJA-IYBDPMFKSA-N 1 2 299.374 1.150 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2cn(C)nc2Cl)C1 ZINC001043862475 729372060 /nfs/dbraw/zinc/37/20/60/729372060.db2.gz LFGIZKBJBGTMRB-UHFFFAOYSA-N 1 2 296.802 1.335 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2CC=CC2)C1 ZINC001031590061 728865411 /nfs/dbraw/zinc/86/54/11/728865411.db2.gz SHGOPPCAIHCVMI-UHFFFAOYSA-N 1 2 254.761 1.753 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)SC ZINC001017479619 728878936 /nfs/dbraw/zinc/87/89/36/728878936.db2.gz BLEQSTJBYJKGRJ-FRRDWIJNSA-N 1 2 268.426 1.989 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)SC ZINC001017479619 728878939 /nfs/dbraw/zinc/87/89/39/728878939.db2.gz BLEQSTJBYJKGRJ-FRRDWIJNSA-N 1 2 268.426 1.989 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000824867948 728886935 /nfs/dbraw/zinc/88/69/35/728886935.db2.gz ZONYVYXLIMKRAT-UHFFFAOYSA-N 1 2 298.346 1.613 20 30 CDEDLO C#CCCCCC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000181617020 728895422 /nfs/dbraw/zinc/89/54/22/728895422.db2.gz YUIMNQXKSOAHAU-CYBMUJFWSA-N 1 2 253.342 1.444 20 30 CDEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)C2CCC2)CC1 ZINC001070928892 728902179 /nfs/dbraw/zinc/90/21/79/728902179.db2.gz HSSAAHXURNSXMC-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)C2CCC2)CC1 ZINC001070928892 728902187 /nfs/dbraw/zinc/90/21/87/728902187.db2.gz HSSAAHXURNSXMC-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)c[nH]1 ZINC001017456015 728947670 /nfs/dbraw/zinc/94/76/70/728947670.db2.gz UWMLPQPUVWADIY-OKILXGFUSA-N 1 2 282.347 1.198 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)c[nH]1 ZINC001017456015 728947673 /nfs/dbraw/zinc/94/76/73/728947673.db2.gz UWMLPQPUVWADIY-OKILXGFUSA-N 1 2 282.347 1.198 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(OC)c1 ZINC001032749712 728401271 /nfs/dbraw/zinc/40/12/71/728401271.db2.gz TXBWCSRGAYQUFV-GJZGRUSLSA-N 1 2 284.359 1.617 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(OC)c1 ZINC001032749712 728401275 /nfs/dbraw/zinc/40/12/75/728401275.db2.gz TXBWCSRGAYQUFV-GJZGRUSLSA-N 1 2 284.359 1.617 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(N)=O)cs1 ZINC001039048497 728417190 /nfs/dbraw/zinc/41/71/90/728417190.db2.gz JLUSFRVJOMXFEF-LLVKDONJSA-N 1 2 293.392 1.227 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(N)=O)cs1 ZINC001039048497 728417198 /nfs/dbraw/zinc/41/71/98/728417198.db2.gz JLUSFRVJOMXFEF-LLVKDONJSA-N 1 2 293.392 1.227 20 30 CDEDLO C#CCOc1ccc(C[N@@H+](C)[C@@H](C)CS(C)(=O)=O)cc1 ZINC000093384762 728426963 /nfs/dbraw/zinc/42/69/63/728426963.db2.gz OCJOXTXBDDUAEF-ZDUSSCGKSA-N 1 2 295.404 1.564 20 30 CDEDLO C#CCOc1ccc(C[N@H+](C)[C@@H](C)CS(C)(=O)=O)cc1 ZINC000093384762 728426964 /nfs/dbraw/zinc/42/69/64/728426964.db2.gz OCJOXTXBDDUAEF-ZDUSSCGKSA-N 1 2 295.404 1.564 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC001030664229 728455375 /nfs/dbraw/zinc/45/53/75/728455375.db2.gz FRDWKFJUKHIPPS-GFCCVEGCSA-N 1 2 252.358 1.178 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CC)cn1 ZINC001018177983 728459053 /nfs/dbraw/zinc/45/90/53/728459053.db2.gz JHMIFIIVSKGRHR-OKILXGFUSA-N 1 2 286.379 1.215 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CC)cn1 ZINC001018177983 728459062 /nfs/dbraw/zinc/45/90/62/728459062.db2.gz JHMIFIIVSKGRHR-OKILXGFUSA-N 1 2 286.379 1.215 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1OCC ZINC001017384019 728461710 /nfs/dbraw/zinc/46/17/10/728461710.db2.gz UKXLYICVVHRLGI-LXTVHRRPSA-N 1 2 276.380 1.110 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1OCC ZINC001017384019 728461716 /nfs/dbraw/zinc/46/17/16/728461716.db2.gz UKXLYICVVHRLGI-LXTVHRRPSA-N 1 2 276.380 1.110 20 30 CDEDLO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000311563854 728487660 /nfs/dbraw/zinc/48/76/60/728487660.db2.gz PBEATIRJRXSIBV-VXGBXAGGSA-N 1 2 268.357 1.721 20 30 CDEDLO C[C@H](C#N)OCC[N@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000311563854 728487662 /nfs/dbraw/zinc/48/76/62/728487662.db2.gz PBEATIRJRXSIBV-VXGBXAGGSA-N 1 2 268.357 1.721 20 30 CDEDLO C#C[C@H](NC(=O)NCCCn1cc[nH+]c1)c1ccccc1 ZINC000825525961 728501475 /nfs/dbraw/zinc/50/14/75/728501475.db2.gz LBVLLWKNABBUIC-HNNXBMFYSA-N 1 2 282.347 1.947 20 30 CDEDLO C[C@H](Nc1nc(Cl)c(C#N)s1)[C@@H]1C[N@H+](C)CCO1 ZINC000804561806 728504647 /nfs/dbraw/zinc/50/46/47/728504647.db2.gz QRHCXAMVBNGISZ-YUMQZZPRSA-N 1 2 286.788 1.799 20 30 CDEDLO C[C@H](Nc1nc(Cl)c(C#N)s1)[C@@H]1C[N@@H+](C)CCO1 ZINC000804561806 728504651 /nfs/dbraw/zinc/50/46/51/728504651.db2.gz QRHCXAMVBNGISZ-YUMQZZPRSA-N 1 2 286.788 1.799 20 30 CDEDLO N#Cc1ccc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)cc1 ZINC000887739018 728508723 /nfs/dbraw/zinc/50/87/23/728508723.db2.gz MGPWGSLXLJYHDP-HNNXBMFYSA-N 1 2 296.330 1.424 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)on1 ZINC001027740279 728518218 /nfs/dbraw/zinc/51/82/18/728518218.db2.gz YNKCIERNVSBFKV-LLVKDONJSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)on1 ZINC001027740279 728518221 /nfs/dbraw/zinc/51/82/21/728518221.db2.gz YNKCIERNVSBFKV-LLVKDONJSA-N 1 2 283.759 1.930 20 30 CDEDLO CC(C)[C@@H]([NH2+]C[C@H](O)CC#N)c1nc(C2CC2)no1 ZINC000930236970 728533072 /nfs/dbraw/zinc/53/30/72/728533072.db2.gz PCUKGJFIBGFILT-GHMZBOCLSA-N 1 2 264.329 1.508 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C2CC2)no1 ZINC001032657418 728544889 /nfs/dbraw/zinc/54/48/89/728544889.db2.gz LEDJVMLZLMHSQH-RYUDHWBXSA-N 1 2 273.336 1.637 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C2CC2)no1 ZINC001032657418 728544894 /nfs/dbraw/zinc/54/48/94/728544894.db2.gz LEDJVMLZLMHSQH-RYUDHWBXSA-N 1 2 273.336 1.637 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2occc2Cl)C1 ZINC001035495729 728555808 /nfs/dbraw/zinc/55/58/08/728555808.db2.gz MFVWBKJUVXPNGP-NSHDSACASA-N 1 2 296.754 1.387 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2occc2Cl)C1 ZINC001035495729 728555811 /nfs/dbraw/zinc/55/58/11/728555811.db2.gz MFVWBKJUVXPNGP-NSHDSACASA-N 1 2 296.754 1.387 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c(C)n[nH]c2C)C1 ZINC001044060110 728574820 /nfs/dbraw/zinc/57/48/20/728574820.db2.gz VFWLKLUVJUEICM-UHFFFAOYSA-N 1 2 262.357 1.359 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(OC)cs2)C1 ZINC000923573564 728583673 /nfs/dbraw/zinc/58/36/73/728583673.db2.gz QPXQBFFASBXUEL-NSHDSACASA-N 1 2 278.377 1.584 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(OC)cs2)C1 ZINC000923573564 728583678 /nfs/dbraw/zinc/58/36/78/728583678.db2.gz QPXQBFFASBXUEL-NSHDSACASA-N 1 2 278.377 1.584 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C)c1CC ZINC001017942952 728588401 /nfs/dbraw/zinc/58/84/01/728588401.db2.gz VWLUZLYESHGQCE-GASCZTMLSA-N 1 2 299.418 1.900 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C)c1CC ZINC001017942952 728588404 /nfs/dbraw/zinc/58/84/04/728588404.db2.gz VWLUZLYESHGQCE-GASCZTMLSA-N 1 2 299.418 1.900 20 30 CDEDLO C#CCCCNc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000853387431 728950578 /nfs/dbraw/zinc/95/05/78/728950578.db2.gz YETYNKXJDHEIQN-UHFFFAOYSA-N 1 2 274.368 1.653 20 30 CDEDLO C#CCCCNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000853387431 728950583 /nfs/dbraw/zinc/95/05/83/728950583.db2.gz YETYNKXJDHEIQN-UHFFFAOYSA-N 1 2 274.368 1.653 20 30 CDEDLO COc1cccc(/C=[NH+]\CCCNC(=O)C(C)C)c1O ZINC000255375578 728954001 /nfs/dbraw/zinc/95/40/01/728954001.db2.gz GVUSINCXIDSPQW-YBEGLDIGSA-N 1 2 278.352 1.982 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)c1ccc(C)c(C)c1 ZINC000884097877 728967803 /nfs/dbraw/zinc/96/78/03/728967803.db2.gz SVMDMVCSVRBKQG-AWEZNQCLSA-N 1 2 290.363 1.713 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccsn1)CO2 ZINC001053839327 728979169 /nfs/dbraw/zinc/97/91/69/728979169.db2.gz BSXYOTADPXKUAI-NSHDSACASA-N 1 2 293.392 1.292 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2cscn2)C1 ZINC001027330380 728993577 /nfs/dbraw/zinc/99/35/77/728993577.db2.gz OOXNYTZBRDEZEM-DGCLKSJQSA-N 1 2 292.408 1.726 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cscn2)C1 ZINC001027330380 728993578 /nfs/dbraw/zinc/99/35/78/728993578.db2.gz OOXNYTZBRDEZEM-DGCLKSJQSA-N 1 2 292.408 1.726 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2scnc2CC)C1 ZINC001014646173 729002870 /nfs/dbraw/zinc/00/28/70/729002870.db2.gz SAUQVCAHHFERSA-SNVBAGLBSA-N 1 2 263.366 1.143 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2scnc2CC)C1 ZINC001014646173 729002875 /nfs/dbraw/zinc/00/28/75/729002875.db2.gz SAUQVCAHHFERSA-SNVBAGLBSA-N 1 2 263.366 1.143 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)[C@@H]1CCCO1 ZINC000775791998 729037231 /nfs/dbraw/zinc/03/72/31/729037231.db2.gz PKUKGUBPMYSPQH-HIFRSBDPSA-N 1 2 297.358 1.204 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC(OCC)C1 ZINC001017836235 729066176 /nfs/dbraw/zinc/06/61/76/729066176.db2.gz ZPYFDPWKLSYTHM-IRHLINNNSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC(OCC)C1 ZINC001017836235 729066178 /nfs/dbraw/zinc/06/61/78/729066178.db2.gz ZPYFDPWKLSYTHM-IRHLINNNSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001038165793 729085880 /nfs/dbraw/zinc/08/58/80/729085880.db2.gz DKMCSVVAWGKMDH-CYBMUJFWSA-N 1 2 260.337 1.724 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001038165793 729085882 /nfs/dbraw/zinc/08/58/82/729085882.db2.gz DKMCSVVAWGKMDH-CYBMUJFWSA-N 1 2 260.337 1.724 20 30 CDEDLO COc1ccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1C#N ZINC000830413597 729115009 /nfs/dbraw/zinc/11/50/09/729115009.db2.gz YDDVZXBIJNIVIN-LLVKDONJSA-N 1 2 296.330 1.964 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2cccc3ncccc23)C1 ZINC001030668839 729118004 /nfs/dbraw/zinc/11/80/04/729118004.db2.gz IYTGCQHUHXSRRN-UHFFFAOYSA-N 1 2 293.370 1.601 20 30 CDEDLO Cn1c(CC#N)nn(C[N@@H+]2CC[C@H](C3CC3)C2)c1=S ZINC000794636527 729143686 /nfs/dbraw/zinc/14/36/86/729143686.db2.gz JLKZGDJVNZDIJL-NSHDSACASA-N 1 2 277.397 1.707 20 30 CDEDLO Cn1c(CC#N)nn(C[N@H+]2CC[C@H](C3CC3)C2)c1=S ZINC000794636527 729143690 /nfs/dbraw/zinc/14/36/90/729143690.db2.gz JLKZGDJVNZDIJL-NSHDSACASA-N 1 2 277.397 1.707 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001016428165 729172432 /nfs/dbraw/zinc/17/24/32/729172432.db2.gz SPLWPDYWXQFQBR-STQMWFEESA-N 1 2 298.814 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001016428165 729172435 /nfs/dbraw/zinc/17/24/35/729172435.db2.gz SPLWPDYWXQFQBR-STQMWFEESA-N 1 2 298.814 1.746 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2sc(C)nc2C)C1 ZINC000923590253 729204147 /nfs/dbraw/zinc/20/41/47/729204147.db2.gz SLDJXBBXIFTVAQ-LBPRGKRZSA-N 1 2 277.393 1.587 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2sc(C)nc2C)C1 ZINC000923590253 729204154 /nfs/dbraw/zinc/20/41/54/729204154.db2.gz SLDJXBBXIFTVAQ-LBPRGKRZSA-N 1 2 277.393 1.587 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C23CCC(CC2)C3)C1 ZINC001035414002 729217776 /nfs/dbraw/zinc/21/77/76/729217776.db2.gz KVKWDRSZFYAINU-BBBYJDLNSA-N 1 2 278.396 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C23CCC(CC2)C3)C1 ZINC001035414002 729217782 /nfs/dbraw/zinc/21/77/82/729217782.db2.gz KVKWDRSZFYAINU-BBBYJDLNSA-N 1 2 278.396 1.570 20 30 CDEDLO C=C(C)CON=C(N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181841910 729227066 /nfs/dbraw/zinc/22/70/66/729227066.db2.gz YZOKPRRLZUOYLZ-HNNXBMFYSA-N 1 2 289.379 1.752 20 30 CDEDLO C=C(C)CON=C(N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181841910 729227067 /nfs/dbraw/zinc/22/70/67/729227067.db2.gz YZOKPRRLZUOYLZ-HNNXBMFYSA-N 1 2 289.379 1.752 20 30 CDEDLO C#C[C@H]([NH2+]Cc1nccc(OC)c1OC)[C@@H]1CCCO1 ZINC000789385525 729229923 /nfs/dbraw/zinc/22/99/23/729229923.db2.gz ATCRUUZRUBMQBT-AAEUAGOBSA-N 1 2 276.336 1.369 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccon2)C1 ZINC001027330327 729232694 /nfs/dbraw/zinc/23/26/94/729232694.db2.gz NIIAXEWPBFKLSN-WCQYABFASA-N 1 2 276.340 1.257 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccon2)C1 ZINC001027330327 729232698 /nfs/dbraw/zinc/23/26/98/729232698.db2.gz NIIAXEWPBFKLSN-WCQYABFASA-N 1 2 276.340 1.257 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCCC(=O)C2)C1 ZINC000923560600 729234609 /nfs/dbraw/zinc/23/46/09/729234609.db2.gz YRAATBGFRZTAFM-CABCVRRESA-N 1 2 290.407 1.740 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCCC(=O)C2)C1 ZINC000923560600 729234610 /nfs/dbraw/zinc/23/46/10/729234610.db2.gz YRAATBGFRZTAFM-CABCVRRESA-N 1 2 290.407 1.740 20 30 CDEDLO C=CCC(F)(F)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857946724 729258306 /nfs/dbraw/zinc/25/83/06/729258306.db2.gz ZNJVRQOQQMHOFL-SECBINFHSA-N 1 2 255.268 1.526 20 30 CDEDLO CCCNC(=O)CO[NH+]=C(N)Cc1ccc(OC)cc1 ZINC000060455265 729301723 /nfs/dbraw/zinc/30/17/23/729301723.db2.gz YZBBNSHCEXFGOI-UHFFFAOYSA-N 1 2 279.340 1.053 20 30 CDEDLO C[C@@H](C#N)OCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000801915785 729314006 /nfs/dbraw/zinc/31/40/06/729314006.db2.gz UULCOLUNCCAMMB-DZGCQCFKSA-N 1 2 260.337 1.989 20 30 CDEDLO C[C@@H](C#N)OCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000801915785 729314008 /nfs/dbraw/zinc/31/40/08/729314008.db2.gz UULCOLUNCCAMMB-DZGCQCFKSA-N 1 2 260.337 1.989 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cn[nH]n1 ZINC001049569915 729315919 /nfs/dbraw/zinc/31/59/19/729315919.db2.gz HCGLCLLKTXYBLI-NEPJUHHUSA-N 1 2 295.774 1.236 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cn[nH]n1 ZINC001049569915 729315920 /nfs/dbraw/zinc/31/59/20/729315920.db2.gz HCGLCLLKTXYBLI-NEPJUHHUSA-N 1 2 295.774 1.236 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)C1 ZINC001031484312 729329506 /nfs/dbraw/zinc/32/95/06/729329506.db2.gz UYGXGZWUMHWNOW-BLLLJJGKSA-N 1 2 286.375 1.928 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCOC2)C1 ZINC001046175797 729329613 /nfs/dbraw/zinc/32/96/13/729329613.db2.gz ACIMTAGSJIPHKT-WCQYABFASA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCOC2)C1 ZINC001046175797 729329615 /nfs/dbraw/zinc/32/96/15/729329615.db2.gz ACIMTAGSJIPHKT-WCQYABFASA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(C)CC[NH+]1CC(NC(=O)c2ccns2)C1 ZINC001030384546 729330882 /nfs/dbraw/zinc/33/08/82/729330882.db2.gz MPKJALQBWPMAER-UHFFFAOYSA-N 1 2 251.355 1.523 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(CCC)c1C ZINC001038852634 729337391 /nfs/dbraw/zinc/33/73/91/729337391.db2.gz APHGJPQFSBBTEW-AWEZNQCLSA-N 1 2 288.395 1.429 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(CCC)c1C ZINC001038852634 729337395 /nfs/dbraw/zinc/33/73/95/729337395.db2.gz APHGJPQFSBBTEW-AWEZNQCLSA-N 1 2 288.395 1.429 20 30 CDEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C(N)=O ZINC000785996184 729345675 /nfs/dbraw/zinc/34/56/75/729345675.db2.gz BVQYDTATTBEVDO-LBPRGKRZSA-N 1 2 287.363 1.765 20 30 CDEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1C(N)=O ZINC000785996184 729345677 /nfs/dbraw/zinc/34/56/77/729345677.db2.gz BVQYDTATTBEVDO-LBPRGKRZSA-N 1 2 287.363 1.765 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ncoc1C ZINC001027773741 729355790 /nfs/dbraw/zinc/35/57/90/729355790.db2.gz OVAPJGSSJMNVAE-LLVKDONJSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ncoc1C ZINC001027773741 729355794 /nfs/dbraw/zinc/35/57/94/729355794.db2.gz OVAPJGSSJMNVAE-LLVKDONJSA-N 1 2 283.759 1.930 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](Nc2nc(C(C)(C)OC)ns2)C1 ZINC000884610541 729356142 /nfs/dbraw/zinc/35/61/42/729356142.db2.gz OVLOQFOHETZJRG-LLVKDONJSA-N 1 2 294.424 1.929 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](Nc2nc(C(C)(C)OC)ns2)C1 ZINC000884610541 729356143 /nfs/dbraw/zinc/35/61/43/729356143.db2.gz OVLOQFOHETZJRG-LLVKDONJSA-N 1 2 294.424 1.929 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1[nH]c(C)nc1C ZINC001051121953 729359718 /nfs/dbraw/zinc/35/97/18/729359718.db2.gz YKLXMTWLVSZZNU-CYBMUJFWSA-N 1 2 292.383 1.033 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1[nH]c(C)nc1C ZINC001051121953 729359719 /nfs/dbraw/zinc/35/97/19/729359719.db2.gz YKLXMTWLVSZZNU-CYBMUJFWSA-N 1 2 292.383 1.033 20 30 CDEDLO C[C@@H]1[C@@H]([NH2+]Cc2csnn2)CCN1C(=O)C#CC1CC1 ZINC000986283695 729378473 /nfs/dbraw/zinc/37/84/73/729378473.db2.gz YEAKGBMEFMBXRP-MFKMUULPSA-N 1 2 290.392 1.031 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1F ZINC001032700699 729379789 /nfs/dbraw/zinc/37/97/89/729379789.db2.gz YCPQIKMNHUXLMW-QWRGUYRKSA-N 1 2 261.300 1.305 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1F ZINC001032700699 729379792 /nfs/dbraw/zinc/37/97/92/729379792.db2.gz YCPQIKMNHUXLMW-QWRGUYRKSA-N 1 2 261.300 1.305 20 30 CDEDLO C#C[C@](C)(CC)NC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000854703652 729380930 /nfs/dbraw/zinc/38/09/30/729380930.db2.gz BAUVYPLYSAJRJH-IJEWVQPXSA-N 1 2 280.412 1.794 20 30 CDEDLO C#C[C@](C)(CC)NC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000854703652 729380932 /nfs/dbraw/zinc/38/09/32/729380932.db2.gz BAUVYPLYSAJRJH-IJEWVQPXSA-N 1 2 280.412 1.794 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2C(=O)Nc3ccccc32)C1 ZINC001031473654 729390657 /nfs/dbraw/zinc/39/06/57/729390657.db2.gz FKTUPDFEVQZYQX-ZDUSSCGKSA-N 1 2 285.347 1.099 20 30 CDEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnco3)C[C@H]21 ZINC001074307718 729398552 /nfs/dbraw/zinc/39/85/52/729398552.db2.gz NHURIOQATQLBQS-CHWSQXEVSA-N 1 2 291.351 1.166 20 30 CDEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnco3)C[C@H]21 ZINC001074307718 729398554 /nfs/dbraw/zinc/39/85/54/729398554.db2.gz NHURIOQATQLBQS-CHWSQXEVSA-N 1 2 291.351 1.166 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2=CCOCC2)C1 ZINC001015661193 729488889 /nfs/dbraw/zinc/48/88/89/729488889.db2.gz SWZJAZTZWIGXBV-ZDUSSCGKSA-N 1 2 284.787 1.666 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC2=CCOCC2)C1 ZINC001015661193 729488890 /nfs/dbraw/zinc/48/88/90/729488890.db2.gz SWZJAZTZWIGXBV-ZDUSSCGKSA-N 1 2 284.787 1.666 20 30 CDEDLO C=CCC[NH+]1CC(N(C)C(=O)c2ocnc2C(F)F)C1 ZINC001043892896 729500766 /nfs/dbraw/zinc/50/07/66/729500766.db2.gz DELNXSSFDAJARC-UHFFFAOYSA-N 1 2 285.294 1.945 20 30 CDEDLO C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1cccnc1 ZINC000137674791 729501964 /nfs/dbraw/zinc/50/19/64/729501964.db2.gz FXPUZFUWKYVUBK-UHFFFAOYSA-N 1 2 285.351 1.169 20 30 CDEDLO C[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1cccnc1 ZINC000137674791 729501968 /nfs/dbraw/zinc/50/19/68/729501968.db2.gz FXPUZFUWKYVUBK-UHFFFAOYSA-N 1 2 285.351 1.169 20 30 CDEDLO C[C@@H]1[C@@H](NCC#N)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC000986541746 729504170 /nfs/dbraw/zinc/50/41/70/729504170.db2.gz BYUHCTPBAQKPSS-NEPJUHHUSA-N 1 2 283.335 1.050 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001031156079 729510601 /nfs/dbraw/zinc/51/06/01/729510601.db2.gz HMRDCBACBZRTDQ-UHFFFAOYSA-N 1 2 282.347 1.309 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CCC)CC(F)(F)F ZINC000884091568 729513787 /nfs/dbraw/zinc/51/37/87/729513787.db2.gz BXCMTHROPNIQBT-VIFPVBQESA-N 1 2 296.289 1.234 20 30 CDEDLO CC(C)(C)C#CC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000837332698 729520339 /nfs/dbraw/zinc/52/03/39/729520339.db2.gz PRYJHRWRCVMCFK-UHFFFAOYSA-N 1 2 273.380 1.928 20 30 CDEDLO N#CCC[N@@H+](Cc1cccc(S(N)(=O)=O)c1)CC1CC1 ZINC000876691204 729523243 /nfs/dbraw/zinc/52/32/43/729523243.db2.gz DVRLAMFJVWCYDU-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO N#CCC[N@H+](Cc1cccc(S(N)(=O)=O)c1)CC1CC1 ZINC000876691204 729523247 /nfs/dbraw/zinc/52/32/47/729523247.db2.gz DVRLAMFJVWCYDU-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCO[C@@H]2C(C)C)C1 ZINC001042883076 729550820 /nfs/dbraw/zinc/55/08/20/729550820.db2.gz SQSYDDKOZLJBRL-UONOGXRCSA-N 1 2 266.385 1.376 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(COC)o1 ZINC001038481737 729557317 /nfs/dbraw/zinc/55/73/17/729557317.db2.gz RKEXROMFFVMDJU-NSHDSACASA-N 1 2 264.325 1.416 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(COC)o1 ZINC001038481737 729557319 /nfs/dbraw/zinc/55/73/19/729557319.db2.gz RKEXROMFFVMDJU-NSHDSACASA-N 1 2 264.325 1.416 20 30 CDEDLO C#C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)C(C)(C)C ZINC000868370318 729566042 /nfs/dbraw/zinc/56/60/42/729566042.db2.gz GFMJACURTOURPG-KTRBRXNASA-N 1 2 264.369 1.039 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H]2CCOC2)C1 ZINC001042561466 729567392 /nfs/dbraw/zinc/56/73/92/729567392.db2.gz WHEFSMBQWDEWOC-GFCCVEGCSA-N 1 2 252.358 1.132 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2c1CCC2 ZINC001039068191 729575773 /nfs/dbraw/zinc/57/57/73/729575773.db2.gz WCWOVVZWFZJECV-CQSZACIVSA-N 1 2 268.360 1.613 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2c1CCC2 ZINC001039068191 729575780 /nfs/dbraw/zinc/57/57/80/729575780.db2.gz WCWOVVZWFZJECV-CQSZACIVSA-N 1 2 268.360 1.613 20 30 CDEDLO CC[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1cccc(C#N)c1O ZINC000926319255 729581638 /nfs/dbraw/zinc/58/16/38/729581638.db2.gz AJQAQARZVMMBLJ-DIOULYMOSA-N 1 2 290.363 1.844 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2[nH]nc(C)c2C)CC[C@@H]1C ZINC001071391760 729586316 /nfs/dbraw/zinc/58/63/16/729586316.db2.gz MYYMAQXDUBONEP-GWCFXTLKSA-N 1 2 276.384 1.795 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2[nH]nc(C)c2C)CC[C@@H]1C ZINC001071391760 729586320 /nfs/dbraw/zinc/58/63/20/729586320.db2.gz MYYMAQXDUBONEP-GWCFXTLKSA-N 1 2 276.384 1.795 20 30 CDEDLO Clc1cnc(N=NCc2c[nH+]c3n2CCC3)nc1 ZINC000857221183 729587673 /nfs/dbraw/zinc/58/76/73/729587673.db2.gz SSHIREJSFZGQPJ-UHFFFAOYSA-N 1 2 262.704 1.719 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccnc1)O2 ZINC001053562512 729590795 /nfs/dbraw/zinc/59/07/95/729590795.db2.gz ZZMYIQADYPTCPJ-AWEZNQCLSA-N 1 2 287.363 1.231 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccnn2C2CCC2)C1 ZINC001030325649 729613917 /nfs/dbraw/zinc/61/39/17/729613917.db2.gz PJAMUNKDGXRLLO-UHFFFAOYSA-N 1 2 274.368 1.598 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(C)C1 ZINC001017464752 729623519 /nfs/dbraw/zinc/62/35/19/729623519.db2.gz XBLUVCKHMLCOCR-ZMYVRHLSSA-N 1 2 260.381 1.731 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(C)C1 ZINC001017464752 729623522 /nfs/dbraw/zinc/62/35/22/729623522.db2.gz XBLUVCKHMLCOCR-ZMYVRHLSSA-N 1 2 260.381 1.731 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC)c1C1CC1 ZINC001032722864 729636250 /nfs/dbraw/zinc/63/62/50/729636250.db2.gz HOSCLQUUCJACRF-KBPBESRZSA-N 1 2 298.390 1.312 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC)c1C1CC1 ZINC001032722864 729636255 /nfs/dbraw/zinc/63/62/55/729636255.db2.gz HOSCLQUUCJACRF-KBPBESRZSA-N 1 2 298.390 1.312 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cc1cc(C(C)=O)no1 ZINC000852748532 729646135 /nfs/dbraw/zinc/64/61/35/729646135.db2.gz CYOMJLPDCAXPCF-UHFFFAOYSA-N 1 2 250.298 1.349 20 30 CDEDLO C#CCC[N@H+](CCOC)Cc1cc(C(C)=O)no1 ZINC000852748532 729646136 /nfs/dbraw/zinc/64/61/36/729646136.db2.gz CYOMJLPDCAXPCF-UHFFFAOYSA-N 1 2 250.298 1.349 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(C)(F)F ZINC001032755314 729656385 /nfs/dbraw/zinc/65/63/85/729656385.db2.gz QZDZKIOPKJILTM-RYUDHWBXSA-N 1 2 284.350 1.976 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(C)(F)F ZINC001032755314 729656388 /nfs/dbraw/zinc/65/63/88/729656388.db2.gz QZDZKIOPKJILTM-RYUDHWBXSA-N 1 2 284.350 1.976 20 30 CDEDLO C#CCOc1ccc(C(=O)NC2C[NH+](CCCF)C2)cc1 ZINC001031063921 729660800 /nfs/dbraw/zinc/66/08/00/729660800.db2.gz BUNBTTJGZKGXOG-UHFFFAOYSA-N 1 2 290.338 1.472 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCCO1)O2 ZINC001053590158 729661310 /nfs/dbraw/zinc/66/13/10/729661310.db2.gz BNDYJFBAFXXBMA-KBPBESRZSA-N 1 2 294.395 1.091 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2)C1 ZINC001035268932 729666161 /nfs/dbraw/zinc/66/61/61/729666161.db2.gz VLCYVKXSFKLUPW-HNNXBMFYSA-N 1 2 274.364 1.693 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2)C1 ZINC001035268932 729666164 /nfs/dbraw/zinc/66/61/64/729666164.db2.gz VLCYVKXSFKLUPW-HNNXBMFYSA-N 1 2 274.364 1.693 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2nc(Cl)cs2)C1 ZINC001015610874 729667748 /nfs/dbraw/zinc/66/77/48/729667748.db2.gz FUBYHQIDICBXBY-MRVPVSSYSA-N 1 2 269.757 1.234 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2nc(Cl)cs2)C1 ZINC001015610874 729667752 /nfs/dbraw/zinc/66/77/52/729667752.db2.gz FUBYHQIDICBXBY-MRVPVSSYSA-N 1 2 269.757 1.234 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)[nH]nc1C(C)C ZINC001038904872 729715727 /nfs/dbraw/zinc/71/57/27/729715727.db2.gz YERVJRUXTZJJDL-CYBMUJFWSA-N 1 2 288.395 1.669 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)[nH]nc1C(C)C ZINC001038904872 729715729 /nfs/dbraw/zinc/71/57/29/729715729.db2.gz YERVJRUXTZJJDL-CYBMUJFWSA-N 1 2 288.395 1.669 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)n[nH]c1C(C)C ZINC001038904872 729715732 /nfs/dbraw/zinc/71/57/32/729715732.db2.gz YERVJRUXTZJJDL-CYBMUJFWSA-N 1 2 288.395 1.669 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)n[nH]c1C(C)C ZINC001038904872 729715743 /nfs/dbraw/zinc/71/57/43/729715743.db2.gz YERVJRUXTZJJDL-CYBMUJFWSA-N 1 2 288.395 1.669 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2CCC(F)CC2)C1 ZINC001035497515 729732061 /nfs/dbraw/zinc/73/20/61/729732061.db2.gz WOAPAXMEFHNEKP-RUXDESIVSA-N 1 2 284.375 1.518 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C2CCC(F)CC2)C1 ZINC001035497515 729732064 /nfs/dbraw/zinc/73/20/64/729732064.db2.gz WOAPAXMEFHNEKP-RUXDESIVSA-N 1 2 284.375 1.518 20 30 CDEDLO C=CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2cc(C)no2)CC1 ZINC000886761459 729735966 /nfs/dbraw/zinc/73/59/66/729735966.db2.gz FCBXKUGLLSLDMM-LBPRGKRZSA-N 1 2 293.367 1.713 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)cn2ccnc12 ZINC001038550497 729799633 /nfs/dbraw/zinc/79/96/33/729799633.db2.gz NLMXVJAXVYUVJE-AWEZNQCLSA-N 1 2 296.374 1.470 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)cn2ccnc12 ZINC001038550497 729799635 /nfs/dbraw/zinc/79/96/35/729799635.db2.gz NLMXVJAXVYUVJE-AWEZNQCLSA-N 1 2 296.374 1.470 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)c2snnc2C2CC2)C1 ZINC001007534695 729799726 /nfs/dbraw/zinc/79/97/26/729799726.db2.gz JQABVWSYJWHHIZ-NSHDSACASA-N 1 2 292.408 1.796 20 30 CDEDLO C=CC[N@H+]1CCC[C@H](NC(=O)c2snnc2C2CC2)C1 ZINC001007534695 729799730 /nfs/dbraw/zinc/79/97/30/729799730.db2.gz JQABVWSYJWHHIZ-NSHDSACASA-N 1 2 292.408 1.796 20 30 CDEDLO C#CCCCC(=O)O[C@@H](COC)C[N@@H+]1CCO[C@@H](C)C1 ZINC000842963109 729804006 /nfs/dbraw/zinc/80/40/06/729804006.db2.gz ISOJBFTUOALDOY-UONOGXRCSA-N 1 2 283.368 1.069 20 30 CDEDLO C#CCCCC(=O)O[C@@H](COC)C[N@H+]1CCO[C@@H](C)C1 ZINC000842963109 729804008 /nfs/dbraw/zinc/80/40/08/729804008.db2.gz ISOJBFTUOALDOY-UONOGXRCSA-N 1 2 283.368 1.069 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2c(C)noc2CC)C1 ZINC001031373693 729809709 /nfs/dbraw/zinc/80/97/09/729809709.db2.gz AZVFKNMRYIKELA-UHFFFAOYSA-N 1 2 263.341 1.536 20 30 CDEDLO C[C@H](C#N)OCC[N@@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000388416434 729826790 /nfs/dbraw/zinc/82/67/90/729826790.db2.gz PBEATIRJRXSIBV-NEPJUHHUSA-N 1 2 268.357 1.721 20 30 CDEDLO C[C@H](C#N)OCC[N@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000388416434 729826791 /nfs/dbraw/zinc/82/67/91/729826791.db2.gz PBEATIRJRXSIBV-NEPJUHHUSA-N 1 2 268.357 1.721 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(C(F)F)c1 ZINC001038855717 729829411 /nfs/dbraw/zinc/82/94/11/729829411.db2.gz SASVXDYSUYRHHJ-LLVKDONJSA-N 1 2 282.294 1.106 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(C(F)F)c1 ZINC001038855717 729829412 /nfs/dbraw/zinc/82/94/12/729829412.db2.gz SASVXDYSUYRHHJ-LLVKDONJSA-N 1 2 282.294 1.106 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](CNC(=O)c2n[nH]c3ccccc32)C1 ZINC001023733241 729836149 /nfs/dbraw/zinc/83/61/49/729836149.db2.gz FRAQXAPEZINHTK-CYBMUJFWSA-N 1 2 296.374 1.638 20 30 CDEDLO C#CCCN(CCOC)Cc1cc(OC)cc(C)[nH+]1 ZINC000852750787 729840267 /nfs/dbraw/zinc/84/02/67/729840267.db2.gz GHQWLZZFAWNLAG-UHFFFAOYSA-N 1 2 262.353 1.870 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(C)=O)C1 ZINC001032844962 729853592 /nfs/dbraw/zinc/85/35/92/729853592.db2.gz IHDVIKHIPCKXAD-JTQLQIEISA-N 1 2 261.163 1.448 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(C)=O)C1 ZINC001032844962 729853593 /nfs/dbraw/zinc/85/35/93/729853593.db2.gz IHDVIKHIPCKXAD-JTQLQIEISA-N 1 2 261.163 1.448 20 30 CDEDLO CSCc1n[nH]c(C[NH2+][C@H]2CCC[C@H](C#N)C2)n1 ZINC000886757458 729849171 /nfs/dbraw/zinc/84/91/71/729849171.db2.gz HTQIMLVQWWMTSW-UWVGGRQHSA-N 1 2 265.386 1.840 20 30 CDEDLO CSCc1nnc(C[NH2+][C@H]2CCC[C@H](C#N)C2)[nH]1 ZINC000886757458 729849173 /nfs/dbraw/zinc/84/91/73/729849173.db2.gz HTQIMLVQWWMTSW-UWVGGRQHSA-N 1 2 265.386 1.840 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001038479908 729860061 /nfs/dbraw/zinc/86/00/61/729860061.db2.gz DYFMFVJLWVOUNV-CQSZACIVSA-N 1 2 297.358 1.009 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001038479908 729860062 /nfs/dbraw/zinc/86/00/62/729860062.db2.gz DYFMFVJLWVOUNV-CQSZACIVSA-N 1 2 297.358 1.009 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(OC)c(C)c2)C1 ZINC001044056319 729860238 /nfs/dbraw/zinc/86/02/38/729860238.db2.gz SOBUOEWIIGRTLS-UHFFFAOYSA-N 1 2 286.375 1.783 20 30 CDEDLO Cc1conc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001075616484 729867901 /nfs/dbraw/zinc/86/79/01/729867901.db2.gz UOLLYJBLWZBMKP-SCDSUCTJSA-N 1 2 288.351 1.175 20 30 CDEDLO Cc1conc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001075616484 729867905 /nfs/dbraw/zinc/86/79/05/729867905.db2.gz UOLLYJBLWZBMKP-SCDSUCTJSA-N 1 2 288.351 1.175 20 30 CDEDLO C#CCOCCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817161503 729875441 /nfs/dbraw/zinc/87/54/41/729875441.db2.gz BLSHCUCMRVRFOW-UHFFFAOYSA-N 1 2 261.325 1.147 20 30 CDEDLO CN(CC#N)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000985498540 729884259 /nfs/dbraw/zinc/88/42/59/729884259.db2.gz ZHHCEGICUSMYJK-UHFFFAOYSA-N 1 2 297.362 1.623 20 30 CDEDLO CC[N@H+](C)[C@H](C(=O)n1ncc(C#N)c1N)c1ccccc1 ZINC000869368592 729920198 /nfs/dbraw/zinc/92/01/98/729920198.db2.gz JWUFHKCXCSXLBJ-ZDUSSCGKSA-N 1 2 283.335 1.670 20 30 CDEDLO CC[N@@H+](C)[C@H](C(=O)n1ncc(C#N)c1N)c1ccccc1 ZINC000869368592 729920200 /nfs/dbraw/zinc/92/02/00/729920200.db2.gz JWUFHKCXCSXLBJ-ZDUSSCGKSA-N 1 2 283.335 1.670 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccncc2C)C1 ZINC001010871166 729923336 /nfs/dbraw/zinc/92/33/36/729923336.db2.gz SUKOESWGIPLGIQ-GFCCVEGCSA-N 1 2 279.771 1.947 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccncc2C)C1 ZINC001010871166 729923332 /nfs/dbraw/zinc/92/33/32/729923332.db2.gz SUKOESWGIPLGIQ-GFCCVEGCSA-N 1 2 279.771 1.947 20 30 CDEDLO N#CCC[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000877484174 729944770 /nfs/dbraw/zinc/94/47/70/729944770.db2.gz WUFCSQOADFRXKX-UHFFFAOYSA-N 1 2 280.129 1.495 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCO[C@H]2C(C)C)C1 ZINC001030418102 729948837 /nfs/dbraw/zinc/94/88/37/729948837.db2.gz FHAWWCCHEBYFMU-KGLIPLIRSA-N 1 2 266.385 1.424 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000884157278 729949546 /nfs/dbraw/zinc/94/95/46/729949546.db2.gz WTBUOFJQTUBETD-SYQHCUMBSA-N 1 2 294.395 1.518 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1c(C)n[nH]c1C ZINC001028203887 729955549 /nfs/dbraw/zinc/95/55/49/729955549.db2.gz FDHVBLNFLSFFGH-GFCCVEGCSA-N 1 2 296.802 1.973 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)n[nH]c1C ZINC001028203887 729955550 /nfs/dbraw/zinc/95/55/50/729955550.db2.gz FDHVBLNFLSFFGH-GFCCVEGCSA-N 1 2 296.802 1.973 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3CC=CC3)C[C@@H]21 ZINC001074200708 729957127 /nfs/dbraw/zinc/95/71/27/729957127.db2.gz YWEGAVLXEMXJFS-HOTGVXAUSA-N 1 2 288.391 1.278 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CC=CC3)C[C@@H]21 ZINC001074200708 729957129 /nfs/dbraw/zinc/95/71/29/729957129.db2.gz YWEGAVLXEMXJFS-HOTGVXAUSA-N 1 2 288.391 1.278 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928652273 729962455 /nfs/dbraw/zinc/96/24/55/729962455.db2.gz XQHQNIKUKXGSCT-GDBMZVCRSA-N 1 2 298.427 1.442 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(Cl)c1 ZINC001038944758 729966225 /nfs/dbraw/zinc/96/62/25/729966225.db2.gz HTCMOEVBBJZRLJ-CYBMUJFWSA-N 1 2 262.740 1.777 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(Cl)c1 ZINC001038944758 729966227 /nfs/dbraw/zinc/96/62/27/729966227.db2.gz HTCMOEVBBJZRLJ-CYBMUJFWSA-N 1 2 262.740 1.777 20 30 CDEDLO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](C(N)=O)c1ccccn1 ZINC000926501446 729975632 /nfs/dbraw/zinc/97/56/32/729975632.db2.gz ZVKPQINBEAZQFD-CMPLNLGQSA-N 1 2 260.341 1.526 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)CCCCCC#N ZINC000805696428 729976816 /nfs/dbraw/zinc/97/68/16/729976816.db2.gz CGCQQRARZLBQHN-CYBMUJFWSA-N 1 2 268.357 1.724 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cn3ccccc3n2)C1 ZINC001043102374 729979410 /nfs/dbraw/zinc/97/94/10/729979410.db2.gz CBNMSDCJHRBRRZ-UHFFFAOYSA-N 1 2 284.363 1.205 20 30 CDEDLO C[C@H]1[C@@H](NCC#N)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000986428306 730000597 /nfs/dbraw/zinc/00/05/97/730000597.db2.gz VSAQXKZGWUHNJE-JQWIXIFHSA-N 1 2 283.335 1.279 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCO[C@H]2C=C)C1 ZINC001042742070 730003219 /nfs/dbraw/zinc/00/32/19/730003219.db2.gz BPDDSHPUZXUZRU-KGLIPLIRSA-N 1 2 264.369 1.296 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3c(c2)ncn3C)C1 ZINC001043148096 730004402 /nfs/dbraw/zinc/00/44/02/730004402.db2.gz ZUCJEYGDERVTCL-UHFFFAOYSA-N 1 2 296.374 1.353 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCC[C@H]1CC=C ZINC000884395445 730011101 /nfs/dbraw/zinc/01/11/01/730011101.db2.gz BWWKRFCTWJXXSE-HZSPNIEDSA-N 1 2 294.395 1.684 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1nnc(C)n1CCC)[C@@H]1CCCO1 ZINC000775787886 730013290 /nfs/dbraw/zinc/01/32/90/730013290.db2.gz BBBZYLKAXWGSRN-OLZOCXBDSA-N 1 2 262.357 1.267 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001031642163 730018577 /nfs/dbraw/zinc/01/85/77/730018577.db2.gz ATKYSHCEMXPGPF-UWVGGRQHSA-N 1 2 278.730 1.688 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@](C)(CCC)C1 ZINC000884143907 730029293 /nfs/dbraw/zinc/02/92/93/730029293.db2.gz VDQZHNWKYSPLBT-BBRMVZONSA-N 1 2 296.411 1.862 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ocnc1CC ZINC001017923331 730037272 /nfs/dbraw/zinc/03/72/72/730037272.db2.gz XVZLQFAQJIASHZ-TXEJJXNPSA-N 1 2 275.352 1.712 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ocnc1CC ZINC001017923331 730037273 /nfs/dbraw/zinc/03/72/73/730037273.db2.gz XVZLQFAQJIASHZ-TXEJJXNPSA-N 1 2 275.352 1.712 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1CC(C)C ZINC000884079251 730045984 /nfs/dbraw/zinc/04/59/84/730045984.db2.gz LERAIDANZIHVJI-OLZOCXBDSA-N 1 2 282.384 1.470 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001033388013 730055292 /nfs/dbraw/zinc/05/52/92/730055292.db2.gz RVDIUAILLUPHMN-JTQLQIEISA-N 1 2 298.774 1.025 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001033388013 730055295 /nfs/dbraw/zinc/05/52/95/730055295.db2.gz RVDIUAILLUPHMN-JTQLQIEISA-N 1 2 298.774 1.025 20 30 CDEDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](CCCC#N)CCO1 ZINC000158888733 730294684 /nfs/dbraw/zinc/29/46/84/730294684.db2.gz YXIMGXJSIGFLFX-STQMWFEESA-N 1 2 297.399 1.904 20 30 CDEDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](CCCC#N)CCO1 ZINC000158888733 730294692 /nfs/dbraw/zinc/29/46/92/730294692.db2.gz YXIMGXJSIGFLFX-STQMWFEESA-N 1 2 297.399 1.904 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc[nH]c1C(C)C ZINC001038614852 730300934 /nfs/dbraw/zinc/30/09/34/730300934.db2.gz AXKBHTWYGNQGKE-LBPRGKRZSA-N 1 2 259.353 1.575 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc[nH]c1C(C)C ZINC001038614852 730300938 /nfs/dbraw/zinc/30/09/38/730300938.db2.gz AXKBHTWYGNQGKE-LBPRGKRZSA-N 1 2 259.353 1.575 20 30 CDEDLO Cc1ccc(NC(=O)N[C@@H](C)CC#N)c(N(C)C)[nH+]1 ZINC000775682206 730319400 /nfs/dbraw/zinc/31/94/00/730319400.db2.gz HCCODOBREARSRW-JTQLQIEISA-N 1 2 261.329 1.880 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001035455003 730334475 /nfs/dbraw/zinc/33/44/75/730334475.db2.gz CZKJSPWXHWDSFU-VNHYZAJKSA-N 1 2 264.369 1.180 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001035455003 730334477 /nfs/dbraw/zinc/33/44/77/730334477.db2.gz CZKJSPWXHWDSFU-VNHYZAJKSA-N 1 2 264.369 1.180 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccsc1)CO2 ZINC001053732047 730347756 /nfs/dbraw/zinc/34/77/56/730347756.db2.gz JYSVQGUIGYDRPX-ZDUSSCGKSA-N 1 2 290.388 1.345 20 30 CDEDLO C[C@@H](C#N)OCC[NH+]1CCN(Cc2cncs2)CC1 ZINC000931358734 730349427 /nfs/dbraw/zinc/34/94/27/730349427.db2.gz FPRZBHRXCCVKIM-LBPRGKRZSA-N 1 2 280.397 1.189 20 30 CDEDLO C=C(C)CNC(=S)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000795131749 730363395 /nfs/dbraw/zinc/36/33/95/730363395.db2.gz OWFXAZSVBAIBAB-QWHCGFSZSA-N 1 2 283.441 1.232 20 30 CDEDLO N#Cc1csc(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)n1 ZINC000887979242 730376885 /nfs/dbraw/zinc/37/68/85/730376885.db2.gz YYZNTUJWHFKZFY-VIFPVBQESA-N 1 2 287.348 1.090 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccn[nH]2)CC[C@H]1C ZINC001071365955 730381772 /nfs/dbraw/zinc/38/17/72/730381772.db2.gz HRCQBJRMZRRJCY-MNOVXSKESA-N 1 2 282.775 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccn[nH]2)CC[C@H]1C ZINC001071365955 730381774 /nfs/dbraw/zinc/38/17/74/730381774.db2.gz HRCQBJRMZRRJCY-MNOVXSKESA-N 1 2 282.775 1.745 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn(CCC)c2C)C1 ZINC001044087200 730382561 /nfs/dbraw/zinc/38/25/61/730382561.db2.gz WESHSBZIMWYWHD-UHFFFAOYSA-N 1 2 288.395 1.381 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)cn1 ZINC001032742792 730394040 /nfs/dbraw/zinc/39/40/40/730394040.db2.gz YFGABLBQFWDBDB-RYUDHWBXSA-N 1 2 275.739 1.267 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)cn1 ZINC001032742792 730394044 /nfs/dbraw/zinc/39/40/44/730394044.db2.gz YFGABLBQFWDBDB-RYUDHWBXSA-N 1 2 275.739 1.267 20 30 CDEDLO C=CC[NH+]1CCC(N(C)C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC001006390209 730396967 /nfs/dbraw/zinc/39/69/67/730396967.db2.gz DBFSCQQPAYQFOK-UHFFFAOYSA-N 1 2 299.378 1.680 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2CCC=C)cc1 ZINC001051063073 730415382 /nfs/dbraw/zinc/41/53/82/730415382.db2.gz RBECUZAZOCCTCM-QGZVFWFLSA-N 1 2 298.386 1.675 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2CCC=C)cc1 ZINC001051063073 730415383 /nfs/dbraw/zinc/41/53/83/730415383.db2.gz RBECUZAZOCCTCM-QGZVFWFLSA-N 1 2 298.386 1.675 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)/C(C)=C\C)C[C@H]21 ZINC001074204865 730416555 /nfs/dbraw/zinc/41/65/55/730416555.db2.gz JOKJGYLZAFECBK-RZAHBXAWSA-N 1 2 276.380 1.278 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)/C(C)=C\C)C[C@H]21 ZINC001074204865 730416556 /nfs/dbraw/zinc/41/65/56/730416556.db2.gz JOKJGYLZAFECBK-RZAHBXAWSA-N 1 2 276.380 1.278 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2c1COCC2 ZINC001038342394 730417893 /nfs/dbraw/zinc/41/78/93/730417893.db2.gz YIOQCOYJICDUTA-AWEZNQCLSA-N 1 2 284.359 1.197 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2c1COCC2 ZINC001038342394 730417894 /nfs/dbraw/zinc/41/78/94/730417894.db2.gz YIOQCOYJICDUTA-AWEZNQCLSA-N 1 2 284.359 1.197 20 30 CDEDLO Cc1cc(NC[C@@H]2COCC[N@H+]2C)nc(C)c1C#N ZINC000700199042 1167444991 /nfs/dbraw/zinc/44/49/91/1167444991.db2.gz OAASSMXCTBEUFD-GFCCVEGCSA-N 1 2 260.341 1.313 20 30 CDEDLO Cc1cc(NC[C@@H]2COCC[N@@H+]2C)nc(C)c1C#N ZINC000700199042 1167444996 /nfs/dbraw/zinc/44/49/96/1167444996.db2.gz OAASSMXCTBEUFD-GFCCVEGCSA-N 1 2 260.341 1.313 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1coc(CC)n1 ZINC001038180308 894890768 /nfs/dbraw/zinc/89/07/68/894890768.db2.gz MJQXKIKPGWHGBI-NSHDSACASA-N 1 2 261.325 1.064 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(CC)n1 ZINC001038180308 894890773 /nfs/dbraw/zinc/89/07/73/894890773.db2.gz MJQXKIKPGWHGBI-NSHDSACASA-N 1 2 261.325 1.064 20 30 CDEDLO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1cnn[nH]1)CC2 ZINC001203201890 895039346 /nfs/dbraw/zinc/03/93/46/895039346.db2.gz RUHLCXLYKQRXJS-OAHLLOKOSA-N 1 2 289.383 1.338 20 30 CDEDLO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cnn[nH]1)CC2 ZINC001203201890 895039363 /nfs/dbraw/zinc/03/93/63/895039363.db2.gz RUHLCXLYKQRXJS-OAHLLOKOSA-N 1 2 289.383 1.338 20 30 CDEDLO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1c[nH]nn1)CC2 ZINC001203201890 895039381 /nfs/dbraw/zinc/03/93/81/895039381.db2.gz RUHLCXLYKQRXJS-OAHLLOKOSA-N 1 2 289.383 1.338 20 30 CDEDLO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1c[nH]nn1)CC2 ZINC001203201890 895039397 /nfs/dbraw/zinc/03/93/97/895039397.db2.gz RUHLCXLYKQRXJS-OAHLLOKOSA-N 1 2 289.383 1.338 20 30 CDEDLO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1cn[nH]n1)CC2 ZINC001203201890 895039415 /nfs/dbraw/zinc/03/94/15/895039415.db2.gz RUHLCXLYKQRXJS-OAHLLOKOSA-N 1 2 289.383 1.338 20 30 CDEDLO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cn[nH]n1)CC2 ZINC001203201890 895039428 /nfs/dbraw/zinc/03/94/28/895039428.db2.gz RUHLCXLYKQRXJS-OAHLLOKOSA-N 1 2 289.383 1.338 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2CCO[C@H](CC)C2)C1 ZINC001031217716 914077042 /nfs/dbraw/zinc/07/70/42/914077042.db2.gz OKOICFDZMFURDN-TZMCWYRMSA-N 1 2 266.385 1.568 20 30 CDEDLO CC(C)(CNc1cc(C2(C#N)CC2)cc[nH+]1)C(N)=O ZINC001167607564 897006833 /nfs/dbraw/zinc/00/68/33/897006833.db2.gz PKFRYPYCOSBTMR-UHFFFAOYSA-N 1 2 258.325 1.560 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CC(C)(F)F ZINC001267215922 897177438 /nfs/dbraw/zinc/17/74/38/897177438.db2.gz QXZPMERPAMEDHG-UHFFFAOYSA-N 1 2 254.708 1.832 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CC(C)(F)F ZINC001267215922 897177445 /nfs/dbraw/zinc/17/74/45/897177445.db2.gz QXZPMERPAMEDHG-UHFFFAOYSA-N 1 2 254.708 1.832 20 30 CDEDLO Cn1nccc1C(=O)/C=C\c1cccc2[nH+]ccn21 ZINC000588595077 897697655 /nfs/dbraw/zinc/69/76/55/897697655.db2.gz NZMXAHZDUAXWQV-WAYWQWQTSA-N 1 2 252.277 1.964 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](F)CC ZINC001480993026 898441610 /nfs/dbraw/zinc/44/16/10/898441610.db2.gz KRBIDCLXGIDOFX-SNVBAGLBSA-N 1 2 250.745 1.925 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](F)CC ZINC001480993026 898441613 /nfs/dbraw/zinc/44/16/13/898441613.db2.gz KRBIDCLXGIDOFX-SNVBAGLBSA-N 1 2 250.745 1.925 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCOC[C@@H](O)C2)c1Cl ZINC001140808323 898475873 /nfs/dbraw/zinc/47/58/73/898475873.db2.gz QVLUJJXSKTYSJO-LBPRGKRZSA-N 1 2 266.728 1.405 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@@H](O)C2)c1Cl ZINC001140808323 898475885 /nfs/dbraw/zinc/47/58/85/898475885.db2.gz QVLUJJXSKTYSJO-LBPRGKRZSA-N 1 2 266.728 1.405 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2cc3c(s2)CCOC3)C1 ZINC001031273445 914325770 /nfs/dbraw/zinc/32/57/70/914325770.db2.gz WPQDGDVSDYXVBY-UHFFFAOYSA-N 1 2 292.404 1.811 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnccn2)[C@H]1CC ZINC001087489942 905088830 /nfs/dbraw/zinc/08/88/30/905088830.db2.gz XVVDOHMJUKVGBT-WCQYABFASA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnccn2)[C@H]1CC ZINC001087489942 905088847 /nfs/dbraw/zinc/08/88/47/905088847.db2.gz XVVDOHMJUKVGBT-WCQYABFASA-N 1 2 294.786 1.812 20 30 CDEDLO C[NH+](C)CCNC(=S)NC1=C(C#N)C(=O)CS1 ZINC001249829851 914870415 /nfs/dbraw/zinc/87/04/15/914870415.db2.gz KLSUMOSVQRMMFJ-UHFFFAOYSA-N 1 2 270.383 1.173 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccnn2C(C)C)CC1 ZINC001189366281 921469376 /nfs/dbraw/zinc/46/93/76/921469376.db2.gz UYIRXDFNHHFIBM-UHFFFAOYSA-N 1 2 262.357 1.408 20 30 CDEDLO CC(C)c1cnc(C[NH2+]CCNC(=O)C#CC2CC2)o1 ZINC001126881695 909516155 /nfs/dbraw/zinc/51/61/55/909516155.db2.gz YDIIAYCDQSXXLW-UHFFFAOYSA-N 1 2 275.352 1.417 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]21 ZINC001093226277 909704780 /nfs/dbraw/zinc/70/47/80/909704780.db2.gz NASPEPBVPKVMSF-JYAVWHMHSA-N 1 2 272.352 1.302 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccoc2)[C@@H](O)C1 ZINC001090068511 921595856 /nfs/dbraw/zinc/59/58/56/921595856.db2.gz LXTFFACCXJFGRY-NEPJUHHUSA-N 1 2 284.743 1.197 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccoc2)[C@@H](O)C1 ZINC001090068511 921595870 /nfs/dbraw/zinc/59/58/70/921595870.db2.gz LXTFFACCXJFGRY-NEPJUHHUSA-N 1 2 284.743 1.197 20 30 CDEDLO COC(=O)[C@@H]1CC[N@@H+]1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172316399 911558266 /nfs/dbraw/zinc/55/82/66/911558266.db2.gz SJSANZHMNKORRY-FZMZJTMJSA-N 1 2 258.321 1.737 20 30 CDEDLO COC(=O)[C@@H]1CC[N@H+]1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172316399 911558271 /nfs/dbraw/zinc/55/82/71/911558271.db2.gz SJSANZHMNKORRY-FZMZJTMJSA-N 1 2 258.321 1.737 20 30 CDEDLO N#Cc1ccncc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212665507 911730699 /nfs/dbraw/zinc/73/06/99/911730699.db2.gz SEQVBJBWULIQGF-UHFFFAOYSA-N 1 2 280.331 1.873 20 30 CDEDLO C=CC[C@@H]([NH2+][C@H]1CCC[C@H](C(=O)OC)C1)C(=O)OC ZINC001172598267 911766309 /nfs/dbraw/zinc/76/63/09/911766309.db2.gz BQXJODDMNFONTM-SDDRHHMPSA-N 1 2 269.341 1.426 20 30 CDEDLO O=C(C#Cc1cccnc1)Nc1cc[nH+]c2c1CCC2 ZINC001177773214 914884791 /nfs/dbraw/zinc/88/47/91/914884791.db2.gz KRAVQGWLGHNANI-UHFFFAOYSA-N 1 2 263.300 1.377 20 30 CDEDLO COC(=O)c1cc(C#N)cc(NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC001177996949 915081604 /nfs/dbraw/zinc/08/16/04/915081604.db2.gz RDKPTLDSGGMSIW-UHFFFAOYSA-N 1 2 298.302 1.639 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC)C2 ZINC001110223231 915586673 /nfs/dbraw/zinc/58/66/73/915586673.db2.gz DZXYRVIIEATDJR-MXWKQRLJSA-N 1 2 258.749 1.107 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC)C2 ZINC001110223231 915586681 /nfs/dbraw/zinc/58/66/81/915586681.db2.gz DZXYRVIIEATDJR-MXWKQRLJSA-N 1 2 258.749 1.107 20 30 CDEDLO CC#CC(=O)N1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001179750202 915965312 /nfs/dbraw/zinc/96/53/12/915965312.db2.gz GLMDRRCCKDUYKE-UHFFFAOYSA-N 1 2 257.337 1.479 20 30 CDEDLO C=CCCC(=O)NCC[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001124645869 936327939 /nfs/dbraw/zinc/32/79/39/936327939.db2.gz AMYPTXMPYOZQSN-UHFFFAOYSA-N 1 2 280.372 1.539 20 30 CDEDLO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]ncc1F)C2 ZINC001097797793 936381674 /nfs/dbraw/zinc/38/16/74/936381674.db2.gz SOIDKWYEIDVYBW-JLLWLGSASA-N 1 2 278.331 1.460 20 30 CDEDLO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]ncc1F)C2 ZINC001097797793 936381678 /nfs/dbraw/zinc/38/16/78/936381678.db2.gz SOIDKWYEIDVYBW-JLLWLGSASA-N 1 2 278.331 1.460 20 30 CDEDLO Cn1c[nH+]c(CCNC(=O)Cc2ccc(F)c(C#N)c2)c1 ZINC001181195277 916899822 /nfs/dbraw/zinc/89/98/22/916899822.db2.gz CSWMDSJGANGVIR-UHFFFAOYSA-N 1 2 286.310 1.332 20 30 CDEDLO COC(=O)C1(C#N)CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000828969389 936397224 /nfs/dbraw/zinc/39/72/24/936397224.db2.gz HYRPAFWJJPEGCM-UHFFFAOYSA-N 1 2 288.351 1.685 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1CCC)CO2 ZINC001053918002 936423470 /nfs/dbraw/zinc/42/34/70/936423470.db2.gz ASQCZDKDOTWUMD-QLFBSQMISA-N 1 2 290.407 1.405 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001031992887 917504762 /nfs/dbraw/zinc/50/47/62/917504762.db2.gz QOWOWUCCNSHZEU-UHFFFAOYSA-N 1 2 296.802 1.947 20 30 CDEDLO C=CCCC(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001124650947 917519242 /nfs/dbraw/zinc/51/92/42/917519242.db2.gz NZUCHGPNQHJUCS-VIFPVBQESA-N 1 2 252.318 1.111 20 30 CDEDLO C=CCOCC(=O)NC/C=C\CNc1cc[nH+]c(C)n1 ZINC001107076154 917974022 /nfs/dbraw/zinc/97/40/22/917974022.db2.gz YMCGOUVVXPCZJD-PLNGDYQASA-N 1 2 276.340 1.072 20 30 CDEDLO Cc1nc(NC/C=C/CNC(=O)[C@H](C)C#N)cc[nH+]1 ZINC001107078637 917978912 /nfs/dbraw/zinc/97/89/12/917978912.db2.gz MGVOJOSVHNGXOY-HMDXOVGESA-N 1 2 259.313 1.029 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)Nc1ncccc1C#N ZINC001097975663 936485371 /nfs/dbraw/zinc/48/53/71/936485371.db2.gz YRVDRYCUAOLMIC-SNVBAGLBSA-N 1 2 298.350 1.144 20 30 CDEDLO Cc1ncsc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N ZINC001032319147 918391368 /nfs/dbraw/zinc/39/13/68/918391368.db2.gz KUIYPBRTUNHPRV-DLOVCJGASA-N 1 2 290.392 1.396 20 30 CDEDLO Cc1ncsc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N ZINC001032319147 918391383 /nfs/dbraw/zinc/39/13/83/918391383.db2.gz KUIYPBRTUNHPRV-DLOVCJGASA-N 1 2 290.392 1.396 20 30 CDEDLO N#CNC(=NC(=O)C12CCC[NH+]1CCC2)c1ccncc1 ZINC001183559096 918529161 /nfs/dbraw/zinc/52/91/61/918529161.db2.gz WCGGKRCCESFXPB-UHFFFAOYSA-N 1 2 283.335 1.054 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CCCC2)C1 ZINC001107682862 918612169 /nfs/dbraw/zinc/61/21/69/918612169.db2.gz 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291.395 1.515 20 30 CDEDLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)CNc1ncccc1C#N ZINC001104002546 937183979 /nfs/dbraw/zinc/18/39/79/937183979.db2.gz VBDGGEBWEJHSFH-LBPRGKRZSA-N 1 2 298.350 1.014 20 30 CDEDLO C[C@H](C(=O)Nc1nc2cc(C#N)ccc2[nH]1)n1cc[nH+]c1 ZINC001169189410 927800901 /nfs/dbraw/zinc/80/09/01/927800901.db2.gz FCOQFIQQIQFPIC-SECBINFHSA-N 1 2 280.291 1.831 20 30 CDEDLO CC(C)(C)C#CC(=O)NC[C@H]1C[N@H+](CCF)CCCO1 ZINC001149701735 937201100 /nfs/dbraw/zinc/20/11/00/937201100.db2.gz WDAYBNNMALFNLK-ZDUSSCGKSA-N 1 2 284.375 1.213 20 30 CDEDLO CC(C)(C)C#CC(=O)NC[C@H]1C[N@@H+](CCF)CCCO1 ZINC001149701735 937201103 /nfs/dbraw/zinc/20/11/03/937201103.db2.gz WDAYBNNMALFNLK-ZDUSSCGKSA-N 1 2 284.375 1.213 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@@H](F)Oc1ccnc(Cl)c1 ZINC001156320045 928041440 /nfs/dbraw/zinc/04/14/40/928041440.db2.gz NSTZHXKWOJXHOO-GZMMTYOYSA-N 1 2 270.695 1.164 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)CCCF)C1 ZINC001150109284 937218928 /nfs/dbraw/zinc/21/89/28/937218928.db2.gz 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Cc1nc(NC[C@@H](NC(=O)C#CC2CC2)C2CC2)cc[nH+]1 ZINC001109842782 929064568 /nfs/dbraw/zinc/06/45/68/929064568.db2.gz LRZPSKBEOQWRCQ-CQSZACIVSA-N 1 2 284.363 1.505 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(F)cn2)CC1 ZINC001112780478 929412803 /nfs/dbraw/zinc/41/28/03/929412803.db2.gz CXKBKWOJQSRNRE-UHFFFAOYSA-N 1 2 293.342 1.181 20 30 CDEDLO C#CCOCCC(=O)N1CC[NH+](CCC(F)(F)F)CC1 ZINC001112844104 929491221 /nfs/dbraw/zinc/49/12/21/929491221.db2.gz WOGXYHDINJBATG-UHFFFAOYSA-N 1 2 292.301 1.123 20 30 CDEDLO Cc1nc(N[C@@H](C)[C@H](C)NC(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001112974492 929614493 /nfs/dbraw/zinc/61/44/93/929614493.db2.gz YPYFLIIYMAEFAY-UWVGGRQHSA-N 1 2 298.350 1.604 20 30 CDEDLO Cc1nc(N[C@@H](C)[C@@H](C)NC(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001112974493 929615105 /nfs/dbraw/zinc/61/51/05/929615105.db2.gz YPYFLIIYMAEFAY-VHSXEESVSA-N 1 2 298.350 1.604 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@@]2(C)CC2(Cl)Cl)nn1 ZINC000881429788 929844264 /nfs/dbraw/zinc/84/42/64/929844264.db2.gz VNIJGAKGHRFRGK-LLVKDONJSA-N 1 2 287.194 1.975 20 30 CDEDLO C#CCC1([NH2+]Cc2noc(CCC)n2)CCOCC1 ZINC000887124751 931020327 /nfs/dbraw/zinc/02/03/27/931020327.db2.gz RQVPNLOIXHZOSJ-UHFFFAOYSA-N 1 2 263.341 1.684 20 30 CDEDLO CC(=O)N1CC(Nc2[nH+]ccc3ccc(C#N)cc32)C1 ZINC001159932330 931082360 /nfs/dbraw/zinc/08/23/60/931082360.db2.gz UGJIPEQHEWZVNU-UHFFFAOYSA-N 1 2 266.304 1.749 20 30 CDEDLO C=CCN1C[C@]2(CC1=O)COCCN(c1cccc[nH+]1)C2 ZINC001274739383 931562910 /nfs/dbraw/zinc/56/29/10/931562910.db2.gz IHACIMWTWZGLKH-MRXNPFEDSA-N 1 2 287.363 1.323 20 30 CDEDLO C=C(Cc1ccccc1)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001144405281 931801732 /nfs/dbraw/zinc/80/17/32/931801732.db2.gz LCRNDSCOHVAKSZ-HNNXBMFYSA-N 1 2 288.391 1.622 20 30 CDEDLO C=C(Cc1ccccc1)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001144405281 931801739 /nfs/dbraw/zinc/80/17/39/931801739.db2.gz LCRNDSCOHVAKSZ-HNNXBMFYSA-N 1 2 288.391 1.622 20 30 CDEDLO C=C[C@@H](C)ONC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000845625785 931862346 /nfs/dbraw/zinc/86/23/46/931862346.db2.gz OUDUQMXYZZQFMC-LLVKDONJSA-N 1 2 291.355 1.123 20 30 CDEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001117802894 937555380 /nfs/dbraw/zinc/55/53/80/937555380.db2.gz LRPREWQLZZMNLQ-CQSZACIVSA-N 1 2 271.364 1.615 20 30 CDEDLO Cc1nc(C#N)c(NC(=O)c2cccc3[nH+]ccn32)o1 ZINC001154520184 937552257 /nfs/dbraw/zinc/55/22/57/937552257.db2.gz CHENSOJAHMWHFS-UHFFFAOYSA-N 1 2 267.248 1.755 20 30 CDEDLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C#N)c1O ZINC001275734919 931987068 /nfs/dbraw/zinc/98/70/68/931987068.db2.gz UMIAQZUVJFHSLR-TXEJJXNPSA-N 1 2 271.320 1.182 20 30 CDEDLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C#N)c1O ZINC001275734919 931987072 /nfs/dbraw/zinc/98/70/72/931987072.db2.gz UMIAQZUVJFHSLR-TXEJJXNPSA-N 1 2 271.320 1.182 20 30 CDEDLO Cc1cc(NC(=O)Cc2[nH]c[nH+]c2C)nn1CCC#N ZINC001411973523 932190008 /nfs/dbraw/zinc/19/00/08/932190008.db2.gz GAYIHHXPPSAEQV-UHFFFAOYSA-N 1 2 272.312 1.318 20 30 CDEDLO COc1ncc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1C#N ZINC001412566533 932505903 /nfs/dbraw/zinc/50/59/03/932505903.db2.gz SCZPFUBQHJZTKN-VIFPVBQESA-N 1 2 285.307 1.502 20 30 CDEDLO COc1ncc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1C#N ZINC001412566533 932505904 /nfs/dbraw/zinc/50/59/04/932505904.db2.gz SCZPFUBQHJZTKN-VIFPVBQESA-N 1 2 285.307 1.502 20 30 CDEDLO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1nnnn1C1CC1 ZINC000191475075 934565823 /nfs/dbraw/zinc/56/58/23/934565823.db2.gz IOQJSDNJVGIQDH-LLVKDONJSA-N 1 2 285.326 1.849 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2c(C)noc2CCC)C1 ZINC001007325774 935379293 /nfs/dbraw/zinc/37/92/93/935379293.db2.gz GVHNNRCCRDYLDI-CYBMUJFWSA-N 1 2 289.379 1.763 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)noc2CCC)C1 ZINC001007325774 935379299 /nfs/dbraw/zinc/37/92/99/935379299.db2.gz GVHNNRCCRDYLDI-CYBMUJFWSA-N 1 2 289.379 1.763 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC(C)C2)C1 ZINC001010503065 935462554 /nfs/dbraw/zinc/46/25/54/935462554.db2.gz NCKLCIWSXLVUCA-QEWOUOOISA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC(C)C2)C1 ZINC001010503065 935462555 /nfs/dbraw/zinc/46/25/55/935462555.db2.gz NCKLCIWSXLVUCA-QEWOUOOISA-N 1 2 256.777 1.976 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1occc1-c1cnn(C)c1 ZINC001038633755 935566203 /nfs/dbraw/zinc/56/62/03/935566203.db2.gz ZWAKFCINSPWFRP-ZDUSSCGKSA-N 1 2 298.346 1.117 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1occc1-c1cnn(C)c1 ZINC001038633755 935566207 /nfs/dbraw/zinc/56/62/07/935566207.db2.gz ZWAKFCINSPWFRP-ZDUSSCGKSA-N 1 2 298.346 1.117 20 30 CDEDLO Cc1cccnc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC001017421500 935638912 /nfs/dbraw/zinc/63/89/12/935638912.db2.gz FTSNQMPAFHKIBJ-KFWWJZLASA-N 1 2 298.390 1.725 20 30 CDEDLO Cc1cccnc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC001017421500 935638915 /nfs/dbraw/zinc/63/89/15/935638915.db2.gz FTSNQMPAFHKIBJ-KFWWJZLASA-N 1 2 298.390 1.725 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H](C)[C@@H]2CCCO2)C1 ZINC001043793863 935844381 /nfs/dbraw/zinc/84/43/81/935844381.db2.gz BTOHIKFWCMDGFV-AAEUAGOBSA-N 1 2 252.358 1.130 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCO[C@@H](CCC)C2)C1 ZINC001044098719 935850660 /nfs/dbraw/zinc/85/06/60/935850660.db2.gz WVRBKYUTEMHPPB-HIFRSBDPSA-N 1 2 280.412 1.910 20 30 CDEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NCCC#N ZINC000802016225 936021498 /nfs/dbraw/zinc/02/14/98/936021498.db2.gz RCVMYLLZQCOJLV-KGLIPLIRSA-N 1 2 299.378 1.070 20 30 CDEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCCC#N ZINC000802016225 936021499 /nfs/dbraw/zinc/02/14/99/936021499.db2.gz RCVMYLLZQCOJLV-KGLIPLIRSA-N 1 2 299.378 1.070 20 30 CDEDLO C=C(C)CCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC001120647600 937821764 /nfs/dbraw/zinc/82/17/64/937821764.db2.gz HGCRXYUWSNOPEQ-KBPBESRZSA-N 1 2 266.385 1.664 20 30 CDEDLO N#Cc1cc(NC(=O)c2ccc3[nH+]c(N)[nH]c3c2)ccc1O ZINC001156970279 938440355 /nfs/dbraw/zinc/44/03/55/938440355.db2.gz AZWNTAIAZZOWEK-UHFFFAOYSA-N 1 2 293.286 1.975 20 30 CDEDLO C#CC1CCN(C(=O)c2ccc3[nH+]c(N)[nH]c3c2)CC1 ZINC001156971170 938440541 /nfs/dbraw/zinc/44/05/41/938440541.db2.gz ZQIRMIRBTJWWFE-UHFFFAOYSA-N 1 2 268.320 1.631 20 30 CDEDLO COC(=O)C1(C#N)CCN(c2ccc(Cl)c(N)[nH+]2)CC1 ZINC001158692965 938651123 /nfs/dbraw/zinc/65/11/23/938651123.db2.gz DTVFDJCTSFOWCP-UHFFFAOYSA-N 1 2 294.742 1.600 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(N3C[C@@H]4COC[C@H](C3)C4=O)c2c1 ZINC001158702030 938652432 /nfs/dbraw/zinc/65/24/32/938652432.db2.gz ZCXHUVZPKADMSX-OKILXGFUSA-N 1 2 293.326 1.758 20 30 CDEDLO COCCOC1CN(c2[nH+]ccc3ccc(C#N)cc32)C1 ZINC001158969093 938683393 /nfs/dbraw/zinc/68/33/93/938683393.db2.gz FTXJZLBXGLESPW-UHFFFAOYSA-N 1 2 283.331 1.958 20 30 CDEDLO COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1nc(C)ccc1C#N ZINC001160691997 938814862 /nfs/dbraw/zinc/81/48/62/938814862.db2.gz ZVPRNBGVKDPXFV-ZDUSSCGKSA-N 1 2 299.334 1.191 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNc2nc(Cl)ccc2C#N)C1 ZINC001162679873 939114545 /nfs/dbraw/zinc/11/45/45/939114545.db2.gz CQPYFGNAUKYXOM-JTQLQIEISA-N 1 2 266.732 1.349 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNc2nc(Cl)ccc2C#N)C1 ZINC001162679873 939114546 /nfs/dbraw/zinc/11/45/46/939114546.db2.gz CQPYFGNAUKYXOM-JTQLQIEISA-N 1 2 266.732 1.349 20 30 CDEDLO C#CCC[NH2+]CC1(CCNC(=O)C(F)C(F)(F)F)CC1 ZINC001164597152 939497796 /nfs/dbraw/zinc/49/77/96/939497796.db2.gz XFUKEIRIUNYZBC-SNVBAGLBSA-N 1 2 294.292 1.786 20 30 CDEDLO C#CCC[NH2+]CC1(CCNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001164597152 939497797 /nfs/dbraw/zinc/49/77/97/939497797.db2.gz XFUKEIRIUNYZBC-SNVBAGLBSA-N 1 2 294.292 1.786 20 30 CDEDLO Cc1nc(Cl)cc(N2CC[NH2+]C[C@H]2C#N)c1C ZINC001164651414 939502047 /nfs/dbraw/zinc/50/20/47/939502047.db2.gz GHUBABUKRGTEDF-SNVBAGLBSA-N 1 2 250.733 1.654 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1c1ncnc2[nH]c3cc(F)ccc3c21 ZINC001164675778 939503503 /nfs/dbraw/zinc/50/35/03/939503503.db2.gz RBDTZENPMSOQQT-SNVBAGLBSA-N 1 2 296.309 1.552 20 30 CDEDLO CN(CC#N)c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001165092099 939508734 /nfs/dbraw/zinc/50/87/34/939508734.db2.gz RCWDSPXYZIEGTG-UHFFFAOYSA-N 1 2 293.374 1.995 20 30 CDEDLO CN(CC#N)c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001165092099 939508735 /nfs/dbraw/zinc/50/87/35/939508735.db2.gz RCWDSPXYZIEGTG-UHFFFAOYSA-N 1 2 293.374 1.995 20 30 CDEDLO C=CCCCC(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001165535267 939569839 /nfs/dbraw/zinc/56/98/39/939569839.db2.gz HJWUEGQLRIPOHK-UHFFFAOYSA-N 1 2 280.372 1.584 20 30 CDEDLO Cn1cc(C[N@@H+]2CCc3ccc(C#N)cc3C2)cn1 ZINC001204979125 939810568 /nfs/dbraw/zinc/81/05/68/939810568.db2.gz NIUMHXRGQVDRLY-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO Cn1cc(C[N@H+]2CCc3ccc(C#N)cc3C2)cn1 ZINC001204979125 939810572 /nfs/dbraw/zinc/81/05/72/939810572.db2.gz NIUMHXRGQVDRLY-UHFFFAOYSA-N 1 2 252.321 1.850 20 30 CDEDLO N#Cc1ccccc1N1CC[NH+](Cc2cnoc2)CC1 ZINC001205670581 939913854 /nfs/dbraw/zinc/91/38/54/939913854.db2.gz QNRGJINZRLQZKT-UHFFFAOYSA-N 1 2 268.320 1.868 20 30 CDEDLO C#CCCCC(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001207943962 940266687 /nfs/dbraw/zinc/26/66/87/940266687.db2.gz GXDZCKKXBXCTLH-CYBMUJFWSA-N 1 2 290.367 1.262 20 30 CDEDLO COCOCCC[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001209026664 940426261 /nfs/dbraw/zinc/42/62/61/940426261.db2.gz YPRIUUGKEPLDKT-LLVKDONJSA-N 1 2 257.355 1.271 20 30 CDEDLO COCOCCC[N@H+]1CCC2SC(=O)C=C2C1 ZINC001209026664 940426263 /nfs/dbraw/zinc/42/62/63/940426263.db2.gz YPRIUUGKEPLDKT-LLVKDONJSA-N 1 2 257.355 1.271 20 30 CDEDLO COCOCCC[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001209026664 940426264 /nfs/dbraw/zinc/42/62/64/940426264.db2.gz YPRIUUGKEPLDKT-LLVKDONJSA-N 1 2 257.355 1.271 20 30 CDEDLO COCOCCC[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001209026664 940426265 /nfs/dbraw/zinc/42/62/65/940426265.db2.gz YPRIUUGKEPLDKT-LLVKDONJSA-N 1 2 257.355 1.271 20 30 CDEDLO CCOC(=O)CC[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001209034250 940428468 /nfs/dbraw/zinc/42/84/68/940428468.db2.gz HPOAYLIFAOAVPM-SNVBAGLBSA-N 1 2 255.339 1.214 20 30 CDEDLO CCOC(=O)CC[N@H+]1CCC2SC(=O)C=C2C1 ZINC001209034250 940428469 /nfs/dbraw/zinc/42/84/69/940428469.db2.gz HPOAYLIFAOAVPM-SNVBAGLBSA-N 1 2 255.339 1.214 20 30 CDEDLO CCOC(=O)CC[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001209034250 940428470 /nfs/dbraw/zinc/42/84/70/940428470.db2.gz HPOAYLIFAOAVPM-SNVBAGLBSA-N 1 2 255.339 1.214 20 30 CDEDLO CCOC(=O)CC[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001209034250 940428471 /nfs/dbraw/zinc/42/84/71/940428471.db2.gz HPOAYLIFAOAVPM-SNVBAGLBSA-N 1 2 255.339 1.214 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)CCCC)[C@H]2C1 ZINC001217344472 940990691 /nfs/dbraw/zinc/99/06/91/940990691.db2.gz VQFRWOYXKSIZHH-OWCLPIDISA-N 1 2 292.423 1.748 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)CCCC)[C@H]2C1 ZINC001217344472 940990693 /nfs/dbraw/zinc/99/06/93/940990693.db2.gz VQFRWOYXKSIZHH-OWCLPIDISA-N 1 2 292.423 1.748 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@@H]1O ZINC001219718950 941383741 /nfs/dbraw/zinc/38/37/41/941383741.db2.gz WYRPECZIHBSGGJ-KGLIPLIRSA-N 1 2 293.367 1.001 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@@H]1O ZINC001219718950 941383745 /nfs/dbraw/zinc/38/37/45/941383745.db2.gz WYRPECZIHBSGGJ-KGLIPLIRSA-N 1 2 293.367 1.001 20 30 CDEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2O)CCC1 ZINC001219785134 941388272 /nfs/dbraw/zinc/38/82/72/941388272.db2.gz FGPGMJVTJWFIGM-IVBLRQQYSA-N 1 2 296.798 1.094 20 30 CDEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]2O)CCC1 ZINC001219785134 941388277 /nfs/dbraw/zinc/38/82/77/941388277.db2.gz FGPGMJVTJWFIGM-IVBLRQQYSA-N 1 2 296.798 1.094 20 30 CDEDLO Cc1cc(C)nc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001227248264 942157272 /nfs/dbraw/zinc/15/72/72/942157272.db2.gz UKKXDKPPWGSOGD-KYFMZXIUSA-N 1 2 260.337 1.690 20 30 CDEDLO Cc1cc(C)nc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001227248264 942157275 /nfs/dbraw/zinc/15/72/75/942157275.db2.gz UKKXDKPPWGSOGD-KYFMZXIUSA-N 1 2 260.337 1.690 20 30 CDEDLO C=C(C)CCC(=O)NC1CC[NH+](Cc2nonc2C)CC1 ZINC001227588265 942192114 /nfs/dbraw/zinc/19/21/14/942192114.db2.gz KWESUNBUWBGJQL-UHFFFAOYSA-N 1 2 292.383 1.815 20 30 CDEDLO CCc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)ncn1 ZINC001228289509 942291171 /nfs/dbraw/zinc/29/11/71/942291171.db2.gz GOMYZEQLDMDDOL-GQTXGERZSA-N 1 2 261.325 1.030 20 30 CDEDLO CCc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)ncn1 ZINC001228289509 942291174 /nfs/dbraw/zinc/29/11/74/942291174.db2.gz GOMYZEQLDMDDOL-GQTXGERZSA-N 1 2 261.325 1.030 20 30 CDEDLO N#CCCN1CC(Oc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001229954453 942555912 /nfs/dbraw/zinc/55/59/12/942555912.db2.gz OYHYQPOSJARVDW-UHFFFAOYSA-N 1 2 268.320 1.849 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CCC1 ZINC001230571925 942647051 /nfs/dbraw/zinc/64/70/51/942647051.db2.gz GSZJFPOWAYNUPV-GXTWGEPZSA-N 1 2 293.411 1.010 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1CCC1 ZINC001230571925 942647055 /nfs/dbraw/zinc/64/70/55/942647055.db2.gz GSZJFPOWAYNUPV-GXTWGEPZSA-N 1 2 293.411 1.010 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCCC1 ZINC001230574564 942647086 /nfs/dbraw/zinc/64/70/86/942647086.db2.gz GULKSJPINUJBJM-HNNXBMFYSA-N 1 2 278.396 1.359 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1CCCC1 ZINC001230574564 942647089 /nfs/dbraw/zinc/64/70/89/942647089.db2.gz GULKSJPINUJBJM-HNNXBMFYSA-N 1 2 278.396 1.359 20 30 CDEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1)C(=O)C(F)F ZINC001230575193 942648301 /nfs/dbraw/zinc/64/83/01/942648301.db2.gz LTLRMDCJVHQPPQ-CYBMUJFWSA-N 1 2 293.317 1.856 20 30 CDEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1)C(=O)C(F)F ZINC001230575193 942648307 /nfs/dbraw/zinc/64/83/07/942648307.db2.gz LTLRMDCJVHQPPQ-CYBMUJFWSA-N 1 2 293.317 1.856 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)SC ZINC001230850042 942713082 /nfs/dbraw/zinc/71/30/82/942713082.db2.gz WQXIKEDPDASVEI-NWDGAFQWSA-N 1 2 254.399 1.294 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)SC ZINC001230850042 942713087 /nfs/dbraw/zinc/71/30/87/942713087.db2.gz WQXIKEDPDASVEI-NWDGAFQWSA-N 1 2 254.399 1.294 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N[C@@H](C)CC ZINC001231121692 942793048 /nfs/dbraw/zinc/79/30/48/942793048.db2.gz GROIABJVHLVIKI-UONOGXRCSA-N 1 2 295.427 1.400 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N[C@@H](C)CC ZINC001231121692 942793052 /nfs/dbraw/zinc/79/30/52/942793052.db2.gz GROIABJVHLVIKI-UONOGXRCSA-N 1 2 295.427 1.400 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cnc(C)o1 ZINC001231239878 942828953 /nfs/dbraw/zinc/82/89/53/942828953.db2.gz FZNPGJVWBBRVKE-CYBMUJFWSA-N 1 2 293.367 1.218 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cnc(C)o1 ZINC001231239878 942828955 /nfs/dbraw/zinc/82/89/55/942828955.db2.gz FZNPGJVWBBRVKE-CYBMUJFWSA-N 1 2 293.367 1.218 20 30 CDEDLO CC(C)Oc1ccc(C[NH+]2CCN(CCC#N)CC2)cn1 ZINC001231534403 942922649 /nfs/dbraw/zinc/92/26/49/942922649.db2.gz WDKBEBPWCCPXRX-UHFFFAOYSA-N 1 2 288.395 1.900 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc3cc[nH]c3cn2)CC1 ZINC001231671633 942971894 /nfs/dbraw/zinc/97/18/94/942971894.db2.gz 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/nfs/dbraw/zinc/42/64/46/943426446.db2.gz KCGIWXLIVUFWHF-UHFFFAOYSA-N 1 2 275.327 1.212 20 30 CDEDLO COc1c(O)cccc1C[NH+]1CCN(CCC#N)CC1 ZINC001233256449 943520357 /nfs/dbraw/zinc/52/03/57/943520357.db2.gz BUBWWRFVLMFREP-UHFFFAOYSA-N 1 2 275.352 1.432 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)/C=C(/C)CC ZINC001234128160 943749592 /nfs/dbraw/zinc/74/95/92/943749592.db2.gz AVXWKQONUTZYNF-ZVHGMHCTSA-N 1 2 293.411 1.178 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)/C=C(/C)CC ZINC001234128160 943749597 /nfs/dbraw/zinc/74/95/97/943749597.db2.gz AVXWKQONUTZYNF-ZVHGMHCTSA-N 1 2 293.411 1.178 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c(Cl)nccc2N(C)C)CC1 ZINC001234142000 943753551 /nfs/dbraw/zinc/75/35/51/943753551.db2.gz FVGQRRFETGRFBA-UHFFFAOYSA-N 1 2 292.814 1.552 20 30 CDEDLO COc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c(Cl)cn1 ZINC001234217982 943777262 /nfs/dbraw/zinc/77/72/62/943777262.db2.gz BREPNQOZCJLYRF-LEGMNPEXSA-N 1 2 296.754 1.735 20 30 CDEDLO COc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c(Cl)cn1 ZINC001234217982 943777265 /nfs/dbraw/zinc/77/72/65/943777265.db2.gz BREPNQOZCJLYRF-LEGMNPEXSA-N 1 2 296.754 1.735 20 30 CDEDLO C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001234426526 943835420 /nfs/dbraw/zinc/83/54/20/943835420.db2.gz WIBWZHDSXOYNES-VHSXEESVSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001234426526 943835424 /nfs/dbraw/zinc/83/54/24/943835424.db2.gz WIBWZHDSXOYNES-VHSXEESVSA-N 1 2 282.281 1.996 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc4[nH]ccc4cn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234525662 943877622 /nfs/dbraw/zinc/87/76/22/943877622.db2.gz KNNIEDOWKVMAOJ-HJTUNCCVSA-N 1 2 271.320 1.554 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc4[nH]ccc4cn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234525662 943877628 /nfs/dbraw/zinc/87/76/28/943877628.db2.gz KNNIEDOWKVMAOJ-HJTUNCCVSA-N 1 2 271.320 1.554 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cnn(C)c1 ZINC001234605117 943913311 /nfs/dbraw/zinc/91/33/11/943913311.db2.gz ZLDWZUSMVUULSB-OAHLLOKOSA-N 1 2 290.411 1.809 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cnn(C)c1 ZINC001234605117 943913314 /nfs/dbraw/zinc/91/33/14/943913314.db2.gz ZLDWZUSMVUULSB-OAHLLOKOSA-N 1 2 290.411 1.809 20 30 CDEDLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237525213 944825175 /nfs/dbraw/zinc/82/51/75/944825175.db2.gz PVLJTXYTJXRCIN-KCJUWKMLSA-N 1 2 252.264 1.792 20 30 CDEDLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237525213 944825184 /nfs/dbraw/zinc/82/51/84/944825184.db2.gz PVLJTXYTJXRCIN-KCJUWKMLSA-N 1 2 252.264 1.792 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(OCC)cc2F)CC1 ZINC001237633009 944894370 /nfs/dbraw/zinc/89/43/70/944894370.db2.gz NZZBOAGCJLTODX-UHFFFAOYSA-N 1 2 276.355 1.975 20 30 CDEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCOC[C@H](O)C2)c1 ZINC001237745174 944941738 /nfs/dbraw/zinc/94/17/38/944941738.db2.gz CSCGAELNUUKURR-CYBMUJFWSA-N 1 2 266.728 1.405 20 30 CDEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCOC[C@H](O)C2)c1 ZINC001237745174 944941741 /nfs/dbraw/zinc/94/17/41/944941741.db2.gz CSCGAELNUUKURR-CYBMUJFWSA-N 1 2 266.728 1.405 20 30 CDEDLO C=CCS(=O)(=O)NCc1c[nH+]c2ccc(C)cn12 ZINC001259932698 945719229 /nfs/dbraw/zinc/71/92/29/945719229.db2.gz RHFQQYLJDKSGNR-UHFFFAOYSA-N 1 2 265.338 1.248 20 30 CDEDLO N#Cc1c2c(cnc1-c1ccc3nn[nH]c3c1)C[NH2+]CCC2 ZINC001241938507 946519591 /nfs/dbraw/zinc/51/95/91/946519591.db2.gz NYSIMVAIWHNQLR-UHFFFAOYSA-N 1 2 290.330 1.927 20 30 CDEDLO C=C[C@@H]1C[C@]1([NH2+]C1CCN(C(C)=O)CC1)C(=O)OCC ZINC001254418881 947431337 /nfs/dbraw/zinc/43/13/37/947431337.db2.gz XTPBXRXTMRHDPX-IUODEOHRSA-N 1 2 280.368 1.095 20 30 CDEDLO COC[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)Cc2nnn(C)c21 ZINC001254658843 947574855 /nfs/dbraw/zinc/57/48/55/947574855.db2.gz JUYBRJSXVTVLIS-GRYCIOLGSA-N 1 2 275.356 1.053 20 30 CDEDLO COC[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)Cc2nnn(C)c21 ZINC001254658843 947574861 /nfs/dbraw/zinc/57/48/61/947574861.db2.gz JUYBRJSXVTVLIS-GRYCIOLGSA-N 1 2 275.356 1.053 20 30 CDEDLO COc1cccc2c1CC[C@H](N1CC[NH2+]C[C@@H]1C#N)C2 ZINC001256647670 948381638 /nfs/dbraw/zinc/38/16/38/948381638.db2.gz UMJFBSXACAIOPZ-KBPBESRZSA-N 1 2 271.364 1.350 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256808328 948427434 /nfs/dbraw/zinc/42/74/34/948427434.db2.gz DLHNRDLHGGWPMJ-ARFHVFGLSA-N 1 2 271.364 1.704 20 30 CDEDLO Cn1cnc2c1CC[N@H+](Cc1cnn3ccc(C#N)cc13)C2 ZINC001249113070 949388163 /nfs/dbraw/zinc/38/81/63/949388163.db2.gz DPIJCIAFDONIDT-UHFFFAOYSA-N 1 2 292.346 1.498 20 30 CDEDLO Cn1cnc2c1CC[N@@H+](Cc1cnn3ccc(C#N)cc13)C2 ZINC001249113070 949388189 /nfs/dbraw/zinc/38/81/89/949388189.db2.gz DPIJCIAFDONIDT-UHFFFAOYSA-N 1 2 292.346 1.498 20 30 CDEDLO C#C[C@H]1CCC[N@@H+](Cc2cnc(N)nc2C(F)(F)F)C1 ZINC001249395183 949553955 /nfs/dbraw/zinc/55/39/55/949553955.db2.gz VWJUCEYLUZJDPN-VIFPVBQESA-N 1 2 284.285 1.923 20 30 CDEDLO C#C[C@H]1CCC[N@H+](Cc2cnc(N)nc2C(F)(F)F)C1 ZINC001249395183 949553969 /nfs/dbraw/zinc/55/39/69/949553969.db2.gz VWJUCEYLUZJDPN-VIFPVBQESA-N 1 2 284.285 1.923 20 30 CDEDLO Cc1cc(C#N)c(F)cc1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251031289 950562611 /nfs/dbraw/zinc/56/26/11/950562611.db2.gz JAECMBCEOTWSLB-ZDUSSCGKSA-N 1 2 293.342 1.111 20 30 CDEDLO CCCCCCCC[C@@H](O)C[N@@H+]1CCNC(=O)C1 ZINC001252121927 951152047 /nfs/dbraw/zinc/15/20/47/951152047.db2.gz NIIWITJTPKWEQO-CYBMUJFWSA-N 1 2 256.390 1.530 20 30 CDEDLO CCCCCCCC[C@@H](O)C[N@H+]1CCNC(=O)C1 ZINC001252121927 951152055 /nfs/dbraw/zinc/15/20/55/951152055.db2.gz NIIWITJTPKWEQO-CYBMUJFWSA-N 1 2 256.390 1.530 20 30 CDEDLO C=CCC[C@@H](O)CNc1cc[nH+]c(OCCOC)c1 ZINC001252594179 951487918 /nfs/dbraw/zinc/48/79/18/951487918.db2.gz TZIYYEUDGOTKDP-CYBMUJFWSA-N 1 2 266.341 1.846 20 30 CDEDLO C=CCCCCCC[C@@H](O)C[N@@H+](C)CC(=O)OC ZINC001253241082 951824005 /nfs/dbraw/zinc/82/40/05/951824005.db2.gz RPPURPKLDWWCID-CYBMUJFWSA-N 1 2 257.374 1.979 20 30 CDEDLO C=CCCCCCC[C@@H](O)C[N@H+](C)CC(=O)OC ZINC001253241082 951824013 /nfs/dbraw/zinc/82/40/13/951824013.db2.gz 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/nfs/dbraw/zinc/99/34/44/954993444.db2.gz SIIAAXOYCQARCY-SNVBAGLBSA-N 1 2 287.323 1.155 20 30 CDEDLO N#CC1(C[C@@H](O)C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001307507783 956415900 /nfs/dbraw/zinc/41/59/00/956415900.db2.gz ZFNOYKQQYTUSDH-CQSZACIVSA-N 1 2 287.319 1.965 20 30 CDEDLO N#CC1(C[C@@H](O)C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001307507783 956415903 /nfs/dbraw/zinc/41/59/03/956415903.db2.gz ZFNOYKQQYTUSDH-CQSZACIVSA-N 1 2 287.319 1.965 20 30 CDEDLO C#C[C@@H](NC(=O)NCc1ccc[nH+]c1N)c1ccc(F)cc1 ZINC001312935069 956831626 /nfs/dbraw/zinc/83/16/26/956831626.db2.gz WFCKHZJXBWWESP-CQSZACIVSA-N 1 2 298.321 1.977 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cccc3n[nH]nc32)CC1 ZINC001313444607 956862220 /nfs/dbraw/zinc/86/22/20/956862220.db2.gz GBJLGWNSDCHUPY-UHFFFAOYSA-N 1 2 285.351 1.292 20 30 CDEDLO C=CCN(C(=O)NCC[N@@H+]1CCOC[C@H]1C)C(C)C ZINC001318287646 958017868 /nfs/dbraw/zinc/01/78/68/958017868.db2.gz KILFNJDHOXHUQQ-CYBMUJFWSA-N 1 2 269.389 1.313 20 30 CDEDLO C=CCN(C(=O)NCC[N@H+]1CCOC[C@H]1C)C(C)C ZINC001318287646 958017881 /nfs/dbraw/zinc/01/78/81/958017881.db2.gz KILFNJDHOXHUQQ-CYBMUJFWSA-N 1 2 269.389 1.313 20 30 CDEDLO C[C@@H](Nc1cc(C#N)sc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC001334173205 958903035 /nfs/dbraw/zinc/90/30/35/958903035.db2.gz QSFFDWZPIXBAIA-LDYMZIIASA-N 1 2 296.352 1.659 20 30 CDEDLO C[C@@H](Nc1cc(C#N)sc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC001334173205 958903052 /nfs/dbraw/zinc/90/30/52/958903052.db2.gz QSFFDWZPIXBAIA-LDYMZIIASA-N 1 2 296.352 1.659 20 30 CDEDLO C=CC[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C(=O)OCC ZINC001320424425 959162607 /nfs/dbraw/zinc/16/26/07/959162607.db2.gz KFWQFZXKBCOOEA-AAEUAGOBSA-N 1 2 291.351 1.070 20 30 CDEDLO C=C[C@@H](COC)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC001323293267 960620421 /nfs/dbraw/zinc/62/04/21/960620421.db2.gz YAFLEIVGTORPFO-HNNXBMFYSA-N 1 2 285.347 1.862 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cccn1 ZINC001418592364 960767881 /nfs/dbraw/zinc/76/78/81/960767881.db2.gz ZVRYXYWRNMYMNT-LBPRGKRZSA-N 1 2 282.775 1.216 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)Cn1cccn1 ZINC001418592364 960767895 /nfs/dbraw/zinc/76/78/95/960767895.db2.gz ZVRYXYWRNMYMNT-LBPRGKRZSA-N 1 2 282.775 1.216 20 30 CDEDLO C=C[C@@H](C)NC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001340121540 962757131 /nfs/dbraw/zinc/75/71/31/962757131.db2.gz LCLVIAFCTMMABJ-LLVKDONJSA-N 1 2 262.357 1.884 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cscn1 ZINC001420379452 962817646 /nfs/dbraw/zinc/81/76/46/962817646.db2.gz BXFMLACAKDRZQA-UHFFFAOYSA-N 1 2 273.789 1.947 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cscn1 ZINC001420379452 962817661 /nfs/dbraw/zinc/81/76/61/962817661.db2.gz BXFMLACAKDRZQA-UHFFFAOYSA-N 1 2 273.789 1.947 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C[C@H]1CCCOC1 ZINC001437643456 963085773 /nfs/dbraw/zinc/08/57/73/963085773.db2.gz XVSUFTBIUYGXCM-CYBMUJFWSA-N 1 2 288.819 1.994 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C[C@H]1CCCOC1 ZINC001437643456 963085789 /nfs/dbraw/zinc/08/57/89/963085789.db2.gz XVSUFTBIUYGXCM-CYBMUJFWSA-N 1 2 288.819 1.994 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(C(N)=O)o1 ZINC001440957604 964288602 /nfs/dbraw/zinc/28/86/02/964288602.db2.gz ZBHJGXGXCJJBBS-VIFPVBQESA-N 1 2 299.758 1.181 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(C(N)=O)o1 ZINC001440957604 964288613 /nfs/dbraw/zinc/28/86/13/964288613.db2.gz ZBHJGXGXCJJBBS-VIFPVBQESA-N 1 2 299.758 1.181 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCc1cccnc1 ZINC001442461051 965075005 /nfs/dbraw/zinc/07/50/05/965075005.db2.gz FDJWKZAAHJSAEM-UHFFFAOYSA-N 1 2 281.787 1.815 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCc1cccnc1 ZINC001442461051 965075010 /nfs/dbraw/zinc/07/50/10/965075010.db2.gz FDJWKZAAHJSAEM-UHFFFAOYSA-N 1 2 281.787 1.815 20 30 CDEDLO COc1ncc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1C#N ZINC001548463784 967506937 /nfs/dbraw/zinc/50/69/37/967506937.db2.gz SSWXYAOFMVYTLU-SNVBAGLBSA-N 1 2 297.318 1.359 20 30 CDEDLO CC(C)NC(=O)[C@H](C#N)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001356275538 969367426 /nfs/dbraw/zinc/36/74/26/969367426.db2.gz NGUXHMLTYWTZJK-NEPJUHHUSA-N 1 2 265.357 1.093 20 30 CDEDLO CC(C)NC(=O)[C@H](C#N)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001356275538 969367429 /nfs/dbraw/zinc/36/74/29/969367429.db2.gz NGUXHMLTYWTZJK-NEPJUHHUSA-N 1 2 265.357 1.093 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCC(C)(C)CC#N)C1 ZINC001470463049 970332133 /nfs/dbraw/zinc/33/21/33/970332133.db2.gz ONZUKEQIVRMEMI-GFCCVEGCSA-N 1 2 289.383 1.859 20 30 CDEDLO CC[C@H](C(=O)N(C)C1(C#N)CCC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001361864821 970619011 /nfs/dbraw/zinc/61/90/11/970619011.db2.gz YXSVKGLTYPGBDY-UONOGXRCSA-N 1 2 293.411 1.780 20 30 CDEDLO CC[C@H](C(=O)N(C)C1(C#N)CCC1)[N@H+]1CCO[C@@H](CC)C1 ZINC001361864821 970619013 /nfs/dbraw/zinc/61/90/13/970619013.db2.gz YXSVKGLTYPGBDY-UONOGXRCSA-N 1 2 293.411 1.780 20 30 CDEDLO CC[N@H+](CCNC(=O)[C@H](C)C#N)[C@H](C)c1ncc(C)o1 ZINC001377291841 974961409 /nfs/dbraw/zinc/96/14/09/974961409.db2.gz LLZYSPZJGDBKSL-ZYHUDNBSSA-N 1 2 278.356 1.642 20 30 CDEDLO CC[N@@H+](CCNC(=O)[C@H](C)C#N)[C@H](C)c1ncc(C)o1 ZINC001377291841 974961415 /nfs/dbraw/zinc/96/14/15/974961415.db2.gz LLZYSPZJGDBKSL-ZYHUDNBSSA-N 1 2 278.356 1.642 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1conc1C ZINC001378124110 975252469 /nfs/dbraw/zinc/25/24/69/975252469.db2.gz RNEUGDGDWIHXBD-SECBINFHSA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1conc1C ZINC001378124110 975252473 /nfs/dbraw/zinc/25/24/73/975252473.db2.gz RNEUGDGDWIHXBD-SECBINFHSA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1cncs1 ZINC001401753845 975878989 /nfs/dbraw/zinc/87/89/89/975878989.db2.gz KQZVNIQMZRDCHW-SNVBAGLBSA-N 1 2 287.816 1.875 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1cncs1 ZINC001401753845 975878997 /nfs/dbraw/zinc/87/89/97/975878997.db2.gz KQZVNIQMZRDCHW-SNVBAGLBSA-N 1 2 287.816 1.875 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCCn1cncn1 ZINC001379774650 976063669 /nfs/dbraw/zinc/06/36/69/976063669.db2.gz UMIPJIYBBPEBSS-GFCCVEGCSA-N 1 2 299.806 1.247 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCCn1cncn1 ZINC001379774650 976063680 /nfs/dbraw/zinc/06/36/80/976063680.db2.gz UMIPJIYBBPEBSS-GFCCVEGCSA-N 1 2 299.806 1.247 20 30 CDEDLO CC[N@H+](CCNC(=O)[C@H](C)C#N)[C@@H](C)c1ncccn1 ZINC001403822651 977215455 /nfs/dbraw/zinc/21/54/55/977215455.db2.gz IWHUVRMLOCKCRT-NEPJUHHUSA-N 1 2 275.356 1.135 20 30 CDEDLO CC[N@@H+](CCNC(=O)[C@H](C)C#N)[C@@H](C)c1ncccn1 ZINC001403822651 977215461 /nfs/dbraw/zinc/21/54/61/977215461.db2.gz IWHUVRMLOCKCRT-NEPJUHHUSA-N 1 2 275.356 1.135 20 30 CDEDLO N#Cc1cc(O)cc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)c1 ZINC000589178256 342499741 /nfs/dbraw/zinc/49/97/41/342499741.db2.gz SSGMEGIIBQJLCH-UHFFFAOYSA-N 1 2 295.298 1.562 20 30 CDEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC=CCC2)C1=O ZINC000611517201 346807945 /nfs/dbraw/zinc/80/79/45/346807945.db2.gz IFWYCBBVKYIXBH-LBPRGKRZSA-N 1 2 273.361 1.987 20 30 CDEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC=CCC2)C1=O ZINC000611517201 346807948 /nfs/dbraw/zinc/80/79/48/346807948.db2.gz IFWYCBBVKYIXBH-LBPRGKRZSA-N 1 2 273.361 1.987 20 30 CDEDLO N#Cc1cccc(C(=O)NCc2ccn3cc[nH+]c3c2)n1 ZINC000589451866 342506008 /nfs/dbraw/zinc/50/60/08/342506008.db2.gz HJWYDPMJEHHOLN-UHFFFAOYSA-N 1 2 277.287 1.531 20 30 CDEDLO Cc1ccc(C#N)nc1N[C@@H](C)C[NH+]1CCOCC1 ZINC000589106171 342497456 /nfs/dbraw/zinc/49/74/56/342497456.db2.gz FESHRPXDVGKQDZ-LBPRGKRZSA-N 1 2 260.341 1.394 20 30 CDEDLO CC#CCCCC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616865679 342568525 /nfs/dbraw/zinc/56/85/25/342568525.db2.gz WMZNINOIYZZDGQ-CQSZACIVSA-N 1 2 291.395 1.790 20 30 CDEDLO Cc1ccc(C[NH+]2CCN(C(=O)C3CC3)CC2)cc1C#N ZINC000599253581 343989597 /nfs/dbraw/zinc/98/95/97/343989597.db2.gz NFLRSIUEDCXCJA-UHFFFAOYSA-N 1 2 283.375 1.921 20 30 CDEDLO COc1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)cc1C#N ZINC000087833125 361781679 /nfs/dbraw/zinc/78/16/79/361781679.db2.gz YDMGCWBJAJHTJI-GFCCVEGCSA-N 1 2 259.309 1.017 20 30 CDEDLO COc1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)cc1C#N ZINC000087833125 361781683 /nfs/dbraw/zinc/78/16/83/361781683.db2.gz YDMGCWBJAJHTJI-GFCCVEGCSA-N 1 2 259.309 1.017 20 30 CDEDLO N#Cc1ccc(CNc2nc[nH+]c3c2OCCN3)cc1 ZINC000590578853 342577395 /nfs/dbraw/zinc/57/73/95/342577395.db2.gz USCOVRRNUJCEKY-UHFFFAOYSA-N 1 2 267.292 1.187 20 30 CDEDLO N#Cc1ccc(CNc2[nH+]cnc3c2OCCN3)cc1 ZINC000590578853 342577396 /nfs/dbraw/zinc/57/73/96/342577396.db2.gz USCOVRRNUJCEKY-UHFFFAOYSA-N 1 2 267.292 1.187 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000037077293 342092973 /nfs/dbraw/zinc/09/29/73/342092973.db2.gz VDZOBEGFUXEWIX-XFMPKHEZSA-N 1 2 281.400 1.539 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000037077293 342092974 /nfs/dbraw/zinc/09/29/74/342092974.db2.gz VDZOBEGFUXEWIX-XFMPKHEZSA-N 1 2 281.400 1.539 20 30 CDEDLO C=CCNC(=O)CN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000047265437 342097829 /nfs/dbraw/zinc/09/78/29/342097829.db2.gz UZIOIHWLKGHNRH-CQSZACIVSA-N 1 2 288.395 1.062 20 30 CDEDLO COc1ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000083219081 178357891 /nfs/dbraw/zinc/35/78/91/178357891.db2.gz JTEVOAASCSPQQH-GFCCVEGCSA-N 1 2 264.325 1.280 20 30 CDEDLO COc1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000083219081 178357893 /nfs/dbraw/zinc/35/78/93/178357893.db2.gz JTEVOAASCSPQQH-GFCCVEGCSA-N 1 2 264.325 1.280 20 30 CDEDLO N#CC1(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CCC1 ZINC000591410823 342630376 /nfs/dbraw/zinc/63/03/76/342630376.db2.gz LJKXHKOQIWEEFT-ZDUSSCGKSA-N 1 2 287.367 1.923 20 30 CDEDLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592146966 342673876 /nfs/dbraw/zinc/67/38/76/342673876.db2.gz HGRVHOMCRPYZMN-CJNGLKHVSA-N 1 2 287.363 1.673 20 30 CDEDLO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592146966 342673878 /nfs/dbraw/zinc/67/38/78/342673878.db2.gz HGRVHOMCRPYZMN-CJNGLKHVSA-N 1 2 287.363 1.673 20 30 CDEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)[C@@H]1C ZINC000592146663 342673912 /nfs/dbraw/zinc/67/39/12/342673912.db2.gz DXCAZOYAEZOUHP-NYTXWWLZSA-N 1 2 293.411 1.278 20 30 CDEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)[C@@H]1C ZINC000592146663 342673913 /nfs/dbraw/zinc/67/39/13/342673913.db2.gz DXCAZOYAEZOUHP-NYTXWWLZSA-N 1 2 293.411 1.278 20 30 CDEDLO C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147314 342667886 /nfs/dbraw/zinc/66/78/86/342667886.db2.gz NSXPNVJWJUQWPG-ZANVPECISA-N 1 2 262.313 1.358 20 30 CDEDLO C[C@@H](c1nc(C2CC2)no1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147314 342667887 /nfs/dbraw/zinc/66/78/87/342667887.db2.gz NSXPNVJWJUQWPG-ZANVPECISA-N 1 2 262.313 1.358 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000592148348 342668317 /nfs/dbraw/zinc/66/83/17/342668317.db2.gz UIFWVSOGGBKWIF-CQSZACIVSA-N 1 2 290.754 1.838 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000592148348 342668318 /nfs/dbraw/zinc/66/83/18/342668318.db2.gz UIFWVSOGGBKWIF-CQSZACIVSA-N 1 2 290.754 1.838 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000592150958 342668868 /nfs/dbraw/zinc/66/88/68/342668868.db2.gz KXALGLSSTRSMCX-ZDUSSCGKSA-N 1 2 279.271 1.584 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000592150958 342668869 /nfs/dbraw/zinc/66/88/69/342668869.db2.gz KXALGLSSTRSMCX-ZDUSSCGKSA-N 1 2 279.271 1.584 20 30 CDEDLO Cn1cc(C[N@@H+]2CC[C@](O)(CC#N)C2)c(C(F)F)n1 ZINC000592151533 342669087 /nfs/dbraw/zinc/66/90/87/342669087.db2.gz NCLHFLLVEOWWGT-GFCCVEGCSA-N 1 2 270.283 1.208 20 30 CDEDLO Cn1cc(C[N@H+]2CC[C@](O)(CC#N)C2)c(C(F)F)n1 ZINC000592151533 342669088 /nfs/dbraw/zinc/66/90/88/342669088.db2.gz NCLHFLLVEOWWGT-GFCCVEGCSA-N 1 2 270.283 1.208 20 30 CDEDLO CC[C@@H]1COC(C)(C)C[N@@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000593057718 342760225 /nfs/dbraw/zinc/76/02/25/342760225.db2.gz WRBXCBGAIAAUOB-CJNGLKHVSA-N 1 2 295.427 1.930 20 30 CDEDLO CC[C@@H]1COC(C)(C)C[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000593057718 342760227 /nfs/dbraw/zinc/76/02/27/342760227.db2.gz WRBXCBGAIAAUOB-CJNGLKHVSA-N 1 2 295.427 1.930 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000593080705 342763230 /nfs/dbraw/zinc/76/32/30/342763230.db2.gz JLUAKHNLPHDUKS-FZMZJTMJSA-N 1 2 274.320 1.321 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000593080705 342763231 /nfs/dbraw/zinc/76/32/31/342763231.db2.gz JLUAKHNLPHDUKS-FZMZJTMJSA-N 1 2 274.320 1.321 20 30 CDEDLO Cc1ccc(C)c(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000593154276 342774224 /nfs/dbraw/zinc/77/42/24/342774224.db2.gz CLRKUHGFCMORBF-MRXNPFEDSA-N 1 2 273.380 1.806 20 30 CDEDLO Cc1nnc([C@H](C)[NH2+]Cc2cccc(C#N)n2)s1 ZINC000602614653 342184632 /nfs/dbraw/zinc/18/46/32/342184632.db2.gz UIOPWQNQFFYRRW-QMMMGPOBSA-N 1 2 259.338 1.964 20 30 CDEDLO CC[C@@H](C#N)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000593501125 342808439 /nfs/dbraw/zinc/80/84/39/342808439.db2.gz WIJTUVWWMNMOEM-LBPRGKRZSA-N 1 2 270.336 1.851 20 30 CDEDLO CC[C@@H](C#N)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000593471615 342804173 /nfs/dbraw/zinc/80/41/73/342804173.db2.gz HOXZHRPSJYSHBZ-KGLIPLIRSA-N 1 2 286.379 1.837 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3CC[C@@](F)(C#N)C3)ccn12 ZINC000594343975 342891562 /nfs/dbraw/zinc/89/15/62/342891562.db2.gz VPWHWBVDBQQMJP-CQSZACIVSA-N 1 2 272.283 1.721 20 30 CDEDLO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)C1 ZINC000594507207 342914684 /nfs/dbraw/zinc/91/46/84/342914684.db2.gz BAPQXPBTMSJENI-IJLUTSLNSA-N 1 2 275.356 1.828 20 30 CDEDLO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2nnc([C@H]3CCCO3)[nH]2)C1 ZINC000594507207 342914685 /nfs/dbraw/zinc/91/46/85/342914685.db2.gz BAPQXPBTMSJENI-IJLUTSLNSA-N 1 2 275.356 1.828 20 30 CDEDLO CC[C@@]1(C)C[N@H+](CC(=O)NC2(C#N)CCC2)CCO1 ZINC000347185298 529531860 /nfs/dbraw/zinc/53/18/60/529531860.db2.gz MXFCVXWKQXGITQ-ZDUSSCGKSA-N 1 2 265.357 1.050 20 30 CDEDLO CC[C@@]1(C)C[N@@H+](CC(=O)NC2(C#N)CCC2)CCO1 ZINC000347185298 529531861 /nfs/dbraw/zinc/53/18/61/529531861.db2.gz MXFCVXWKQXGITQ-ZDUSSCGKSA-N 1 2 265.357 1.050 20 30 CDEDLO CC(C)[N@H+](CC(N)=O)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075611772 342313447 /nfs/dbraw/zinc/31/34/47/342313447.db2.gz JUQYOKOBBWAJET-UHFFFAOYSA-N 1 2 299.334 1.304 20 30 CDEDLO CC(C)[N@@H+](CC(N)=O)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075611772 342313448 /nfs/dbraw/zinc/31/34/48/342313448.db2.gz JUQYOKOBBWAJET-UHFFFAOYSA-N 1 2 299.334 1.304 20 30 CDEDLO CO[C@H](C[N@H+](CCC#N)Cc1cccnc1)[C@@H]1CCOC1 ZINC000595339393 343030026 /nfs/dbraw/zinc/03/00/26/343030026.db2.gz NZOSVVZXWVKCDL-HZPDHXFCSA-N 1 2 289.379 1.849 20 30 CDEDLO CO[C@H](C[N@@H+](CCC#N)Cc1cccnc1)[C@@H]1CCOC1 ZINC000595339393 343030027 /nfs/dbraw/zinc/03/00/27/343030027.db2.gz NZOSVVZXWVKCDL-HZPDHXFCSA-N 1 2 289.379 1.849 20 30 CDEDLO Cc1cc(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)nc(C)n1 ZINC000595397102 343047815 /nfs/dbraw/zinc/04/78/15/343047815.db2.gz IHEOQWFZWRAUNG-INIZCTEOSA-N 1 2 287.411 1.759 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CCCC(C)(C)C#N ZINC000619512965 349785474 /nfs/dbraw/zinc/78/54/74/349785474.db2.gz BVBDPUAZNRWCFL-QWRGUYRKSA-N 1 2 256.321 1.902 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CCCC(C)(C)C#N ZINC000619512965 349785478 /nfs/dbraw/zinc/78/54/78/349785478.db2.gz BVBDPUAZNRWCFL-QWRGUYRKSA-N 1 2 256.321 1.902 20 30 CDEDLO CC(C)N1CC[N@H+](CCc2ccc(C#N)cc2)CC1=O ZINC000595427741 343057356 /nfs/dbraw/zinc/05/73/56/343057356.db2.gz BXKSCABLJNGFEW-UHFFFAOYSA-N 1 2 271.364 1.653 20 30 CDEDLO CC(C)N1CC[N@@H+](CCc2ccc(C#N)cc2)CC1=O ZINC000595427741 343057358 /nfs/dbraw/zinc/05/73/58/343057358.db2.gz BXKSCABLJNGFEW-UHFFFAOYSA-N 1 2 271.364 1.653 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595551616 343086164 /nfs/dbraw/zinc/08/61/64/343086164.db2.gz JEYMWXMMJJVFTG-KGLIPLIRSA-N 1 2 294.399 1.042 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595551616 343086165 /nfs/dbraw/zinc/08/61/65/343086165.db2.gz JEYMWXMMJJVFTG-KGLIPLIRSA-N 1 2 294.399 1.042 20 30 CDEDLO C[N@H+](Cc1n[nH]c(=O)o1)Cc1ccc(CC#N)cc1 ZINC000595544940 343094566 /nfs/dbraw/zinc/09/45/66/343094566.db2.gz CDNARCJGGNIICF-UHFFFAOYSA-N 1 2 258.281 1.473 20 30 CDEDLO C[N@@H+](Cc1n[nH]c(=O)o1)Cc1ccc(CC#N)cc1 ZINC000595544940 343094567 /nfs/dbraw/zinc/09/45/67/343094567.db2.gz CDNARCJGGNIICF-UHFFFAOYSA-N 1 2 258.281 1.473 20 30 CDEDLO N#Cc1sccc1N1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000595635307 343122861 /nfs/dbraw/zinc/12/28/61/343122861.db2.gz GOBLYFQOIQCIOJ-NSHDSACASA-N 1 2 290.392 1.020 20 30 CDEDLO C[N@H+](CC1=CCSC1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000595887511 343181159 /nfs/dbraw/zinc/18/11/59/343181159.db2.gz DMEDTKBIZIUZLY-AWEZNQCLSA-N 1 2 287.388 1.690 20 30 CDEDLO C[N@@H+](CC1=CCSC1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000595887511 343181161 /nfs/dbraw/zinc/18/11/61/343181161.db2.gz DMEDTKBIZIUZLY-AWEZNQCLSA-N 1 2 287.388 1.690 20 30 CDEDLO CCc1nc(C#N)cc(NCCc2cn3ccccc3[nH+]2)n1 ZINC000596070212 343225210 /nfs/dbraw/zinc/22/52/10/343225210.db2.gz OPFXMLDTBOEMKM-UHFFFAOYSA-N 1 2 292.346 1.635 20 30 CDEDLO Cn1cc(CC[N@H+](CCC#N)Cc2ccco2)cn1 ZINC000081517585 342369667 /nfs/dbraw/zinc/36/96/67/342369667.db2.gz CCERNCCCXSJLPA-UHFFFAOYSA-N 1 2 258.325 1.971 20 30 CDEDLO Cn1cc(CC[N@@H+](CCC#N)Cc2ccco2)cn1 ZINC000081517585 342369668 /nfs/dbraw/zinc/36/96/68/342369668.db2.gz CCERNCCCXSJLPA-UHFFFAOYSA-N 1 2 258.325 1.971 20 30 CDEDLO C[C@@H](O)CNc1cc(N2CCC[C@H](CC#N)C2)nc[nH+]1 ZINC000596329473 343304427 /nfs/dbraw/zinc/30/44/27/343304427.db2.gz LIWOQAFCAJEKGS-VXGBXAGGSA-N 1 2 275.356 1.399 20 30 CDEDLO C[C@@H](O)CNc1cc(N2CCC[C@H](CC#N)C2)[nH+]cn1 ZINC000596329473 343304428 /nfs/dbraw/zinc/30/44/28/343304428.db2.gz LIWOQAFCAJEKGS-VXGBXAGGSA-N 1 2 275.356 1.399 20 30 CDEDLO N#Cc1cnccc1NCc1ccc[nH+]c1N1CCCC1 ZINC000596355482 343309875 /nfs/dbraw/zinc/30/98/75/343309875.db2.gz BGYFPAOKXFGYSO-UHFFFAOYSA-N 1 2 279.347 1.982 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCC(C)(C)CC#N ZINC000596624326 343359752 /nfs/dbraw/zinc/35/97/52/343359752.db2.gz QXYHNEJBFJQFRN-OLZOCXBDSA-N 1 2 296.415 1.335 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCC(C)(C)CC#N ZINC000596624326 343359756 /nfs/dbraw/zinc/35/97/56/343359756.db2.gz QXYHNEJBFJQFRN-OLZOCXBDSA-N 1 2 296.415 1.335 20 30 CDEDLO N#Cc1ccc(CCNC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000596676284 343368957 /nfs/dbraw/zinc/36/89/57/343368957.db2.gz XKZDJZDBOZFHFF-UHFFFAOYSA-N 1 2 295.346 1.523 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@](C)(C#N)C1 ZINC000597494124 343558182 /nfs/dbraw/zinc/55/81/82/343558182.db2.gz HAFCHOKHPCOHRF-JMSVASOKSA-N 1 2 272.352 1.676 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2C(=O)OC)c1 ZINC000126839673 187266016 /nfs/dbraw/zinc/26/60/16/187266016.db2.gz QJDBJRZPQSUEEP-ZFWWWQNUSA-N 1 2 291.347 1.360 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2C[C@@H](O)C[C@H]2C(=O)OC)c1 ZINC000126839673 187266017 /nfs/dbraw/zinc/26/60/17/187266017.db2.gz QJDBJRZPQSUEEP-ZFWWWQNUSA-N 1 2 291.347 1.360 20 30 CDEDLO CN(C)c1[nH]c2ccc(NC(=O)CSCC#N)cc2[nH+]1 ZINC000344314594 529805446 /nfs/dbraw/zinc/80/54/46/529805446.db2.gz LKGRBAHKACOVSF-UHFFFAOYSA-N 1 2 289.364 1.824 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)c2sccc2C#N)[C@@H](C)CO1 ZINC000597999923 343685881 /nfs/dbraw/zinc/68/58/81/343685881.db2.gz SZGNTZPHWGYARI-WDEREUQCSA-N 1 2 293.392 1.459 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2sccc2C#N)[C@@H](C)CO1 ZINC000597999923 343685883 /nfs/dbraw/zinc/68/58/83/343685883.db2.gz SZGNTZPHWGYARI-WDEREUQCSA-N 1 2 293.392 1.459 20 30 CDEDLO C[N@H+](CC(=O)NC1(c2nnc[nH]2)CCC1)[C@H]1CCSC1 ZINC000329259881 529819453 /nfs/dbraw/zinc/81/94/53/529819453.db2.gz AJJNNGUPRYNARA-JTQLQIEISA-N 1 2 295.412 1.578 20 30 CDEDLO C[N@@H+](CC(=O)NC1(c2nnc[nH]2)CCC1)[C@H]1CCSC1 ZINC000329259881 529819454 /nfs/dbraw/zinc/81/94/54/529819454.db2.gz AJJNNGUPRYNARA-JTQLQIEISA-N 1 2 295.412 1.578 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000619719491 349869702 /nfs/dbraw/zinc/86/97/02/349869702.db2.gz CVVUGUAIZCYEQR-OLZOCXBDSA-N 1 2 292.383 1.766 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000619719491 349869706 /nfs/dbraw/zinc/86/97/06/349869706.db2.gz CVVUGUAIZCYEQR-OLZOCXBDSA-N 1 2 292.383 1.766 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000619722174 349871805 /nfs/dbraw/zinc/87/18/05/349871805.db2.gz QTPUGGNYOWCEAJ-STQMWFEESA-N 1 2 253.342 1.605 20 30 CDEDLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598615478 343842903 /nfs/dbraw/zinc/84/29/03/343842903.db2.gz BLBIAIVXSZTWAB-VWYCJHECSA-N 1 2 294.317 1.939 20 30 CDEDLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598615478 343842906 /nfs/dbraw/zinc/84/29/06/343842906.db2.gz BLBIAIVXSZTWAB-VWYCJHECSA-N 1 2 294.317 1.939 20 30 CDEDLO COC(=O)[C@@](C)(CCF)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598628120 343848604 /nfs/dbraw/zinc/84/86/04/343848604.db2.gz MPDQXDXGVTVEGY-GXFFZTMASA-N 1 2 274.336 1.168 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ncnc2ccsc21 ZINC000598836507 343914603 /nfs/dbraw/zinc/91/46/03/343914603.db2.gz LAWJJJUBGXBRLD-CYBMUJFWSA-N 1 2 289.364 1.265 20 30 CDEDLO N#CC1(c2ccc(C(=O)N[C@@H]3Cc4c[nH+]cn4C3)cc2)CC1 ZINC000598946438 343925949 /nfs/dbraw/zinc/92/59/49/343925949.db2.gz FSZHMAGZLWNCJC-CQSZACIVSA-N 1 2 292.342 1.793 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCc3cnc(N)nc3C2)c(F)c1 ZINC000598950575 343934195 /nfs/dbraw/zinc/93/41/95/343934195.db2.gz RYOXSMODKVWBQK-UHFFFAOYSA-N 1 2 283.310 1.458 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCc3cnc(N)nc3C2)c(F)c1 ZINC000598950575 343934197 /nfs/dbraw/zinc/93/41/97/343934197.db2.gz RYOXSMODKVWBQK-UHFFFAOYSA-N 1 2 283.310 1.458 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599648100 344102529 /nfs/dbraw/zinc/10/25/29/344102529.db2.gz TZAOYMPHDQDPCC-LBPRGKRZSA-N 1 2 287.363 1.511 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCc2c(O)cccc2C1 ZINC000599648100 344102532 /nfs/dbraw/zinc/10/25/32/344102532.db2.gz TZAOYMPHDQDPCC-LBPRGKRZSA-N 1 2 287.363 1.511 20 30 CDEDLO CC[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601727700 344239011 /nfs/dbraw/zinc/23/90/11/344239011.db2.gz IARSJQDKCDAQCW-AWEZNQCLSA-N 1 2 287.363 1.586 20 30 CDEDLO C[C@H](C#N)N(C)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000602422239 344420416 /nfs/dbraw/zinc/42/04/16/344420416.db2.gz IQDONFKQXNYVSK-SECBINFHSA-N 1 2 259.300 1.334 20 30 CDEDLO CCOc1ccc(CN(C)C(=O)C[NH2+][C@H](C)CC#N)cc1 ZINC000602860734 344616816 /nfs/dbraw/zinc/61/68/16/344616816.db2.gz DUJAWDOREJQECF-CYBMUJFWSA-N 1 2 289.379 1.935 20 30 CDEDLO COCc1ccccc1CNC(=O)C[NH2+][C@H](C)CC#N ZINC000602863722 344628749 /nfs/dbraw/zinc/62/87/49/344628749.db2.gz PKJNQTCOQLUZOF-GFCCVEGCSA-N 1 2 275.352 1.341 20 30 CDEDLO C=CCC[C@@H](O)C[NH2+][C@H](Cc1ccccc1)C(=O)OC ZINC000602887899 344635679 /nfs/dbraw/zinc/63/56/79/344635679.db2.gz WFHMEELLZDRHQP-HUUCEWRRSA-N 1 2 277.364 1.687 20 30 CDEDLO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[NH2+][C@@H](C)CC#N ZINC000602865850 344638312 /nfs/dbraw/zinc/63/83/12/344638312.db2.gz ZSQMFIHNORXTQD-QWRGUYRKSA-N 1 2 295.333 1.904 20 30 CDEDLO Cc1ccc(NC(=O)NC(=O)C[NH2+][C@H](C)CC#N)cc1C ZINC000602869945 344640695 /nfs/dbraw/zinc/64/06/95/344640695.db2.gz QZBZALGKQRTZAQ-GFCCVEGCSA-N 1 2 288.351 1.843 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603220923 344748211 /nfs/dbraw/zinc/74/82/11/344748211.db2.gz XNFNBAGEHGWTMF-GFCCVEGCSA-N 1 2 299.334 1.909 20 30 CDEDLO CC1(C)C[C@H]1Nc1[nH+]cnc2c1cnn2CCC#N ZINC000604558467 344904222 /nfs/dbraw/zinc/90/42/22/344904222.db2.gz FRXIRZVLRLZFTO-SNVBAGLBSA-N 1 2 256.313 1.950 20 30 CDEDLO C[C@@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)CC[S@@]1=O ZINC000537617879 282375269 /nfs/dbraw/zinc/37/52/69/282375269.db2.gz JPBXZVZVLAWXTN-GIPWTMENSA-N 1 2 288.376 1.159 20 30 CDEDLO C#CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000274160395 345368064 /nfs/dbraw/zinc/36/80/64/345368064.db2.gz MBNBDSJTUCBWMR-UHFFFAOYSA-N 1 2 259.353 1.427 20 30 CDEDLO C#CC[N@H+](CC(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000274160395 345368065 /nfs/dbraw/zinc/36/80/65/345368065.db2.gz MBNBDSJTUCBWMR-UHFFFAOYSA-N 1 2 259.353 1.427 20 30 CDEDLO C=CCOC[C@@H]([NH2+]CCc1cccc(C)c1)C(=O)OC ZINC000449303645 362645150 /nfs/dbraw/zinc/64/51/50/362645150.db2.gz YVQMQPKFLGWCER-OAHLLOKOSA-N 1 2 277.364 1.871 20 30 CDEDLO N#CCN1CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000526114342 362648190 /nfs/dbraw/zinc/64/81/90/362648190.db2.gz CESJZYDOMFQMJN-UHFFFAOYSA-N 1 2 287.392 1.779 20 30 CDEDLO C=CCN(C(=O)c1ccc2[nH+]ccn2c1)[C@@H](C)COC ZINC000617578397 345864736 /nfs/dbraw/zinc/86/47/36/345864736.db2.gz IYLRYFVESBIMAR-LBPRGKRZSA-N 1 2 273.336 1.997 20 30 CDEDLO C=CCN(C(=O)CCc1[nH]cc[nH+]1)[C@@H](C)COC ZINC000617582666 345868322 /nfs/dbraw/zinc/86/83/22/345868322.db2.gz RRFOJWAARREFHB-NSHDSACASA-N 1 2 251.330 1.392 20 30 CDEDLO CC1CC(C#N)(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000610706327 346365425 /nfs/dbraw/zinc/36/54/25/346365425.db2.gz LMCXZBUOBCWIQL-BBBYJDLNSA-N 1 2 291.395 1.249 20 30 CDEDLO CSCCCCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000584722915 346412380 /nfs/dbraw/zinc/41/23/80/346412380.db2.gz FHHHHKGBNFZORP-GFCCVEGCSA-N 1 2 257.403 1.480 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CC(=O)N1 ZINC000449521779 362743985 /nfs/dbraw/zinc/74/39/85/362743985.db2.gz HIZBDHPFOQNXEM-CYBMUJFWSA-N 1 2 287.363 1.689 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CC(=O)N1 ZINC000449521779 362743989 /nfs/dbraw/zinc/74/39/89/362743989.db2.gz HIZBDHPFOQNXEM-CYBMUJFWSA-N 1 2 287.363 1.689 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000249298155 362757602 /nfs/dbraw/zinc/75/76/02/362757602.db2.gz NFQWNWXOHIVWED-JMSVASOKSA-N 1 2 260.337 1.701 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000249298155 362757608 /nfs/dbraw/zinc/75/76/08/362757608.db2.gz NFQWNWXOHIVWED-JMSVASOKSA-N 1 2 260.337 1.701 20 30 CDEDLO C=CCC[C@H]([NH2+]CC1=CCCOC1)C(=O)OCC ZINC000449654919 362764257 /nfs/dbraw/zinc/76/42/57/362764257.db2.gz FXMKDQCHRDFMCX-ZDUSSCGKSA-N 1 2 253.342 1.821 20 30 CDEDLO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1cn(C)nn1 ZINC000611185033 346633845 /nfs/dbraw/zinc/63/38/45/346633845.db2.gz NVWYRGZIXOKUKQ-LLVKDONJSA-N 1 2 255.325 1.880 20 30 CDEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cn(C)nn1 ZINC000611185033 346633847 /nfs/dbraw/zinc/63/38/47/346633847.db2.gz NVWYRGZIXOKUKQ-LLVKDONJSA-N 1 2 255.325 1.880 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)NCC1(C#N)CCC1)[NH+]1CCOCC1 ZINC000419435551 346641576 /nfs/dbraw/zinc/64/15/76/346641576.db2.gz AFLOKZYLZWWNGH-QWHCGFSZSA-N 1 2 294.399 1.089 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)N(C)Cc1[nH]cc[nH+]1 ZINC000611191056 346685440 /nfs/dbraw/zinc/68/54/40/346685440.db2.gz CVOYDGSGTXKXDE-AWEZNQCLSA-N 1 2 284.319 1.627 20 30 CDEDLO Cc1nc(N2CCN(c3ccc(C#N)cn3)CC2)cc[nH+]1 ZINC000266340572 136601395 /nfs/dbraw/zinc/60/13/95/136601395.db2.gz IBJOIXQZXMNOCB-UHFFFAOYSA-N 1 2 280.335 1.378 20 30 CDEDLO CCC[N@H+](CC1(C#N)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000450265192 362807885 /nfs/dbraw/zinc/80/78/85/362807885.db2.gz WWIVJUJSSPRHBK-GFCCVEGCSA-N 1 2 270.398 1.579 20 30 CDEDLO CCC[N@@H+](CC1(C#N)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000450265192 362807892 /nfs/dbraw/zinc/80/78/92/362807892.db2.gz WWIVJUJSSPRHBK-GFCCVEGCSA-N 1 2 270.398 1.579 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000069321193 347572557 /nfs/dbraw/zinc/57/25/57/347572557.db2.gz MFWGHXKVMGKXBD-ZDUSSCGKSA-N 1 2 284.400 1.195 20 30 CDEDLO C=C[C@](C)(O)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000613545204 347775801 /nfs/dbraw/zinc/77/58/01/347775801.db2.gz NARPTPVBMXFOOJ-DOMZBBRYSA-N 1 2 294.420 1.890 20 30 CDEDLO CC(C)(C)c1ccc(C#N)c(NC[C@H]2C[NH+]3CCN2CC3)n1 ZINC000613428098 347724207 /nfs/dbraw/zinc/72/42/07/347724207.db2.gz TYFCKPAYFXTWLN-AWEZNQCLSA-N 1 2 299.422 1.662 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054344842 347819432 /nfs/dbraw/zinc/81/94/32/347819432.db2.gz GEOCDPRFYDRYOA-YDHLFZDLSA-N 1 2 279.384 1.294 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054344842 347819433 /nfs/dbraw/zinc/81/94/33/347819433.db2.gz GEOCDPRFYDRYOA-YDHLFZDLSA-N 1 2 279.384 1.294 20 30 CDEDLO C=C[C@@H](O)C(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000614000208 347960034 /nfs/dbraw/zinc/96/00/34/347960034.db2.gz JVHWBZCYYXFPNK-GFCCVEGCSA-N 1 2 265.357 1.231 20 30 CDEDLO CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000614403899 348101374 /nfs/dbraw/zinc/10/13/74/348101374.db2.gz YHFYYMFYNXGWKA-UHFFFAOYSA-N 1 2 272.352 1.324 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(C)(C)C(=O)OC)C1 ZINC000619720202 348193137 /nfs/dbraw/zinc/19/31/37/348193137.db2.gz OFXPKBUAMCYZPY-VXGBXAGGSA-N 1 2 283.368 1.625 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](C(C)(C)C(=O)OC)C1 ZINC000619720202 348193140 /nfs/dbraw/zinc/19/31/40/348193140.db2.gz OFXPKBUAMCYZPY-VXGBXAGGSA-N 1 2 283.368 1.625 20 30 CDEDLO CC1(C)C[N@H+](Cc2cc(C#N)cs2)CCN1CCO ZINC000615140427 348356676 /nfs/dbraw/zinc/35/66/76/348356676.db2.gz HATDEBMIKQDHRB-UHFFFAOYSA-N 1 2 279.409 1.508 20 30 CDEDLO CC1(C)C[N@@H+](Cc2cc(C#N)cs2)CCN1CCO ZINC000615140427 348356679 /nfs/dbraw/zinc/35/66/79/348356679.db2.gz HATDEBMIKQDHRB-UHFFFAOYSA-N 1 2 279.409 1.508 20 30 CDEDLO CC[N@@H+](CC(=O)NCc1ccccc1OC)C[C@H](C)C#N ZINC000064248880 348937048 /nfs/dbraw/zinc/93/70/48/348937048.db2.gz QEMYPTQQXMRJJZ-CYBMUJFWSA-N 1 2 289.379 1.793 20 30 CDEDLO CC[N@H+](CC(=O)NCc1ccccc1OC)C[C@H](C)C#N ZINC000064248880 348937051 /nfs/dbraw/zinc/93/70/51/348937051.db2.gz QEMYPTQQXMRJJZ-CYBMUJFWSA-N 1 2 289.379 1.793 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2csc(COC)n2)CC1 ZINC000068444145 349066833 /nfs/dbraw/zinc/06/68/33/349066833.db2.gz SNHFTCMUVREIQQ-UHFFFAOYSA-N 1 2 293.392 1.071 20 30 CDEDLO N#CC1(NC(=O)Cc2cn3ccccc3[nH+]2)CCC1 ZINC000263828307 362946897 /nfs/dbraw/zinc/94/68/97/362946897.db2.gz QOUPOJFLSREPGP-UHFFFAOYSA-N 1 2 254.293 1.439 20 30 CDEDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602454409 350111232 /nfs/dbraw/zinc/11/12/32/350111232.db2.gz MZKRZLBXZTYWCX-CQSZACIVSA-N 1 2 272.352 1.444 20 30 CDEDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602454409 350111235 /nfs/dbraw/zinc/11/12/35/350111235.db2.gz MZKRZLBXZTYWCX-CQSZACIVSA-N 1 2 272.352 1.444 20 30 CDEDLO COCC[N@H+](C)Cc1cn(CCc2ccc(C#N)cc2)nn1 ZINC000603247034 350235573 /nfs/dbraw/zinc/23/55/73/350235573.db2.gz IHNFLBHWLZLKRU-UHFFFAOYSA-N 1 2 299.378 1.471 20 30 CDEDLO COCC[N@@H+](C)Cc1cn(CCc2ccc(C#N)cc2)nn1 ZINC000603247034 350235576 /nfs/dbraw/zinc/23/55/76/350235576.db2.gz IHNFLBHWLZLKRU-UHFFFAOYSA-N 1 2 299.378 1.471 20 30 CDEDLO C=C[C@](C)(O)CC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620650832 350302029 /nfs/dbraw/zinc/30/20/29/350302029.db2.gz DYHHCSFKMKYSRS-AWEZNQCLSA-N 1 2 259.309 1.908 20 30 CDEDLO C=CC[N@@H+](Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361536 180368329 /nfs/dbraw/zinc/36/83/29/180368329.db2.gz RADPALBBVUYLKG-ZDUSSCGKSA-N 1 2 281.377 1.567 20 30 CDEDLO C=CC[N@H+](Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361536 180368330 /nfs/dbraw/zinc/36/83/30/180368330.db2.gz RADPALBBVUYLKG-ZDUSSCGKSA-N 1 2 281.377 1.567 20 30 CDEDLO N#C[C@@H]1CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CCO1 ZINC000264443966 363066631 /nfs/dbraw/zinc/06/66/31/363066631.db2.gz AXIJGWWYDUVAHG-OAHLLOKOSA-N 1 2 296.330 1.296 20 30 CDEDLO Cc1nc(N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc[nH+]1 ZINC000291985640 198125471 /nfs/dbraw/zinc/12/54/71/198125471.db2.gz XIHMBLFYQMOYIO-CYBMUJFWSA-N 1 2 281.319 1.709 20 30 CDEDLO Cn1c[nH+]c(CCNc2nccc(C#N)c2Cl)c1 ZINC000313438928 260369906 /nfs/dbraw/zinc/36/99/06/260369906.db2.gz BIHVZZOXIXSRDT-UHFFFAOYSA-N 1 2 261.716 1.995 20 30 CDEDLO N#Cc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)[nH]1 ZINC000152424838 188017842 /nfs/dbraw/zinc/01/78/42/188017842.db2.gz PCGHTMIZBRHNOP-GFCCVEGCSA-N 1 2 281.319 1.290 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000152515751 188025481 /nfs/dbraw/zinc/02/54/81/188025481.db2.gz WQXWVSAMVYYYJP-LBPRGKRZSA-N 1 2 281.319 1.290 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000336307277 363337488 /nfs/dbraw/zinc/33/74/88/363337488.db2.gz IVFOPBKHQKDTKH-QWHCGFSZSA-N 1 2 266.385 1.520 20 30 CDEDLO C[N@@H+]1CCN(C(=O)c2cc(C#N)cs2)CC1(C)C ZINC000559264852 356443015 /nfs/dbraw/zinc/44/30/15/356443015.db2.gz FXYNTTRENCTINR-UHFFFAOYSA-N 1 2 263.366 1.786 20 30 CDEDLO C[N@H+]1CCN(C(=O)c2cc(C#N)cs2)CC1(C)C ZINC000559264852 356443016 /nfs/dbraw/zinc/44/30/16/356443016.db2.gz FXYNTTRENCTINR-UHFFFAOYSA-N 1 2 263.366 1.786 20 30 CDEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCC(F)(C#N)CC2)C1 ZINC000352458729 363501910 /nfs/dbraw/zinc/50/19/10/363501910.db2.gz OEQPVRWRWBVKIX-CHWSQXEVSA-N 1 2 281.375 1.819 20 30 CDEDLO CO[C@]1(CNC(=O)CCc2c[nH+]c[nH]2)CCOC1 ZINC000329527643 538579113 /nfs/dbraw/zinc/57/91/13/538579113.db2.gz UIAUIBUBIAKXII-LBPRGKRZSA-N 1 2 253.302 1.104 20 30 CDEDLO CO[C@]1(CNC(=O)CCc2c[nH]c[nH+]2)CCOC1 ZINC000329527643 538579121 /nfs/dbraw/zinc/57/91/21/538579121.db2.gz UIAUIBUBIAKXII-LBPRGKRZSA-N 1 2 253.302 1.104 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000559638072 356756458 /nfs/dbraw/zinc/75/64/58/356756458.db2.gz MICOGVJSIFCWKB-UHFFFAOYSA-N 1 2 255.281 1.257 20 30 CDEDLO CC(C)(CNC(=O)C[C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000329789093 538652616 /nfs/dbraw/zinc/65/26/16/538652616.db2.gz SGHZZMTUNSQOEC-LBPRGKRZSA-N 1 2 270.373 1.480 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/COCC(F)(F)F ZINC000493438366 366369923 /nfs/dbraw/zinc/36/99/23/366369923.db2.gz ZVOFGTSYJPISFP-SGUJLRQBSA-N 1 2 293.289 1.082 20 30 CDEDLO N#CCN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000053421281 357291928 /nfs/dbraw/zinc/29/19/28/357291928.db2.gz VCBCPDRMFFMRLM-UHFFFAOYSA-N 1 2 273.336 1.099 20 30 CDEDLO C[C@H](c1cnccn1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000184467908 357486083 /nfs/dbraw/zinc/48/60/83/357486083.db2.gz ZUDCLENABWNIIQ-CYBMUJFWSA-N 1 2 294.362 1.626 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000334402885 357579006 /nfs/dbraw/zinc/57/90/06/357579006.db2.gz OPSQJCFOCOJLLH-JTQLQIEISA-N 1 2 270.292 1.894 20 30 CDEDLO C[N@@H+]1CCc2ncnc(N[C@H]3CCC[C@@H]3C#N)c2C1 ZINC000330054818 538885573 /nfs/dbraw/zinc/88/55/73/538885573.db2.gz SQBFHWRGCCNAHH-PWSUYJOCSA-N 1 2 257.341 1.569 20 30 CDEDLO C[N@H+]1CCc2ncnc(N[C@H]3CCC[C@@H]3C#N)c2C1 ZINC000330054818 538885576 /nfs/dbraw/zinc/88/55/76/538885576.db2.gz SQBFHWRGCCNAHH-PWSUYJOCSA-N 1 2 257.341 1.569 20 30 CDEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc(C#N)[nH]1 ZINC000335205832 357866760 /nfs/dbraw/zinc/86/67/60/357866760.db2.gz DBMGDYOPYDJGFP-UHFFFAOYSA-N 1 2 283.335 1.691 20 30 CDEDLO N#Cc1cccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)c1F ZINC000335236147 357887879 /nfs/dbraw/zinc/88/78/79/357887879.db2.gz SPISFOZSDSBGAN-RYUDHWBXSA-N 1 2 252.264 1.602 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)c1F ZINC000335236147 357887882 /nfs/dbraw/zinc/88/78/82/357887882.db2.gz SPISFOZSDSBGAN-RYUDHWBXSA-N 1 2 252.264 1.602 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)c1cccc(F)c1C#N ZINC000335428393 357914621 /nfs/dbraw/zinc/91/46/21/357914621.db2.gz URMPJXKBZHLZPS-UHFFFAOYSA-N 1 2 272.283 1.703 20 30 CDEDLO CCN1CCC[N@H+](Cc2cn3ccccc3c2C#N)CC1=O ZINC000190229088 358061767 /nfs/dbraw/zinc/06/17/67/358061767.db2.gz SGNIEWQWIRHGPC-UHFFFAOYSA-N 1 2 296.374 1.865 20 30 CDEDLO CCN1CCC[N@@H+](Cc2cn3ccccc3c2C#N)CC1=O ZINC000190229088 358061768 /nfs/dbraw/zinc/06/17/68/358061768.db2.gz SGNIEWQWIRHGPC-UHFFFAOYSA-N 1 2 296.374 1.865 20 30 CDEDLO Cc1ccc(N(CCC#N)C(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC000081300867 358122013 /nfs/dbraw/zinc/12/20/13/358122013.db2.gz YLZARRZABZLLPP-OAHLLOKOSA-N 1 2 287.363 1.572 20 30 CDEDLO Cc1ccc(N(CCC#N)C(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000081300867 358122018 /nfs/dbraw/zinc/12/20/18/358122018.db2.gz YLZARRZABZLLPP-OAHLLOKOSA-N 1 2 287.363 1.572 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000091704702 358523973 /nfs/dbraw/zinc/52/39/73/358523973.db2.gz XZLKNMSIZSFWTQ-CYBMUJFWSA-N 1 2 274.368 1.837 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000091704702 358523974 /nfs/dbraw/zinc/52/39/74/358523974.db2.gz XZLKNMSIZSFWTQ-CYBMUJFWSA-N 1 2 274.368 1.837 20 30 CDEDLO Cc1nsc(N[C@@H](C)C[NH+]2CCOCC2)c1C#N ZINC000092912561 358882162 /nfs/dbraw/zinc/88/21/62/358882162.db2.gz HVEWFIFAEHDAGJ-VIFPVBQESA-N 1 2 266.370 1.456 20 30 CDEDLO CN1C[C@H](C[N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)OC1=O ZINC000495592802 366529803 /nfs/dbraw/zinc/52/98/03/366529803.db2.gz JHAUAUUEQRHUJS-KFWWJZLASA-N 1 2 285.347 1.676 20 30 CDEDLO CN1C[C@H](C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)OC1=O ZINC000495592802 366529807 /nfs/dbraw/zinc/52/98/07/366529807.db2.gz JHAUAUUEQRHUJS-KFWWJZLASA-N 1 2 285.347 1.676 20 30 CDEDLO C=CCOCC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000346509011 359019001 /nfs/dbraw/zinc/01/90/01/359019001.db2.gz RYLQCXHJLRAVFR-UHFFFAOYSA-N 1 2 285.347 1.387 20 30 CDEDLO C[C@@H]1[N@H+](CC(=O)NC2(C#N)CCC2)CCOC1(C)C ZINC000347062418 359140630 /nfs/dbraw/zinc/14/06/30/359140630.db2.gz WAEBVORYXCEZLH-NSHDSACASA-N 1 2 265.357 1.048 20 30 CDEDLO C[C@@H]1[N@@H+](CC(=O)NC2(C#N)CCC2)CCOC1(C)C ZINC000347062418 359140633 /nfs/dbraw/zinc/14/06/33/359140633.db2.gz WAEBVORYXCEZLH-NSHDSACASA-N 1 2 265.357 1.048 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(F)c(F)cc2F)CC1 ZINC000269490761 359373005 /nfs/dbraw/zinc/37/30/05/359373005.db2.gz OKNIPCPNZUOCMU-UHFFFAOYSA-N 1 2 296.292 1.885 20 30 CDEDLO C=CC[N@@H+](Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000269657769 359374691 /nfs/dbraw/zinc/37/46/91/359374691.db2.gz SHOVLYFDOCJFRU-AWEZNQCLSA-N 1 2 295.404 1.870 20 30 CDEDLO C=CC[N@H+](Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000269657769 359374694 /nfs/dbraw/zinc/37/46/94/359374694.db2.gz SHOVLYFDOCJFRU-AWEZNQCLSA-N 1 2 295.404 1.870 20 30 CDEDLO C#CCC[N@H+]1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000270631247 359409574 /nfs/dbraw/zinc/40/95/74/359409574.db2.gz QKUSKYKPOROZRQ-QWHCGFSZSA-N 1 2 265.378 1.896 20 30 CDEDLO C#CCC[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000270631247 359409580 /nfs/dbraw/zinc/40/95/80/359409580.db2.gz QKUSKYKPOROZRQ-QWHCGFSZSA-N 1 2 265.378 1.896 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCc1ccccc1COC)C1CC1 ZINC000274158879 359478263 /nfs/dbraw/zinc/47/82/63/359478263.db2.gz LXYSTUBEBFLGKF-UHFFFAOYSA-N 1 2 286.375 1.547 20 30 CDEDLO C#CC[N@H+](CC(=O)NCc1ccccc1COC)C1CC1 ZINC000274158879 359478268 /nfs/dbraw/zinc/47/82/68/359478268.db2.gz LXYSTUBEBFLGKF-UHFFFAOYSA-N 1 2 286.375 1.547 20 30 CDEDLO CC#CC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000277318307 359560837 /nfs/dbraw/zinc/56/08/37/359560837.db2.gz BYDCJGWWVRUABF-MRXNPFEDSA-N 1 2 286.375 1.069 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H]2CCN(C(C)C)C2=O)n1 ZINC000279794138 359593852 /nfs/dbraw/zinc/59/38/52/359593852.db2.gz VWOZEMZMPQTMMA-OAHLLOKOSA-N 1 2 288.395 1.348 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)[C@@H]2CCN(C(C)C)C2=O)n1 ZINC000279794138 359593854 /nfs/dbraw/zinc/59/38/54/359593854.db2.gz VWOZEMZMPQTMMA-OAHLLOKOSA-N 1 2 288.395 1.348 20 30 CDEDLO CC1=CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000289622396 359636136 /nfs/dbraw/zinc/63/61/36/359636136.db2.gz BEXSXBIWVGDILR-UHFFFAOYSA-N 1 2 291.376 1.379 20 30 CDEDLO CC1=CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000289622396 359636143 /nfs/dbraw/zinc/63/61/43/359636143.db2.gz BEXSXBIWVGDILR-UHFFFAOYSA-N 1 2 291.376 1.379 20 30 CDEDLO C[C@H](C#N)OCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000496118757 366656431 /nfs/dbraw/zinc/65/64/31/366656431.db2.gz BLOHXCRSILBELX-QWHCGFSZSA-N 1 2 297.399 1.856 20 30 CDEDLO C[C@H](C#N)OCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000496118757 366656435 /nfs/dbraw/zinc/65/64/35/366656435.db2.gz BLOHXCRSILBELX-QWHCGFSZSA-N 1 2 297.399 1.856 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCOC[C@H]2c2ccccc2)C1=O ZINC000337172501 360009627 /nfs/dbraw/zinc/00/96/27/360009627.db2.gz GOPFBBNFXJVBIC-CVEARBPZSA-N 1 2 286.375 1.847 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCOC[C@H]2c2ccccc2)C1=O ZINC000337172501 360009633 /nfs/dbraw/zinc/00/96/33/360009633.db2.gz GOPFBBNFXJVBIC-CVEARBPZSA-N 1 2 286.375 1.847 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Nc1nc(Cl)c(C#N)s1 ZINC000235441573 360121400 /nfs/dbraw/zinc/12/14/00/360121400.db2.gz NYSUZPKVKLAKQR-MRVPVSSYSA-N 1 2 286.788 1.801 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)c(F)c1 ZINC000300163302 360608067 /nfs/dbraw/zinc/60/80/67/360608067.db2.gz QXBLCRACKACMIZ-TZMCWYRMSA-N 1 2 273.311 1.408 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)c(F)c1 ZINC000300163302 360608071 /nfs/dbraw/zinc/60/80/71/360608071.db2.gz QXBLCRACKACMIZ-TZMCWYRMSA-N 1 2 273.311 1.408 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425840153 360629540 /nfs/dbraw/zinc/62/95/40/360629540.db2.gz GUBMLALBJHPCAB-WDEREUQCSA-N 1 2 261.329 1.254 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1ccnn1CC ZINC000429719721 360871452 /nfs/dbraw/zinc/87/14/52/360871452.db2.gz OSGVINWBDWCJFI-UHFFFAOYSA-N 1 2 276.384 1.535 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1ccnn1CC ZINC000429719721 360871456 /nfs/dbraw/zinc/87/14/56/360871456.db2.gz OSGVINWBDWCJFI-UHFFFAOYSA-N 1 2 276.384 1.535 20 30 CDEDLO C[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)C[C@H](CO)O1 ZINC000191718052 361268753 /nfs/dbraw/zinc/26/87/53/361268753.db2.gz BKEHJSXJINAVJA-SWLSCSKDSA-N 1 2 276.336 1.019 20 30 CDEDLO C[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)C[C@H](CO)O1 ZINC000191718052 361268758 /nfs/dbraw/zinc/26/87/58/361268758.db2.gz BKEHJSXJINAVJA-SWLSCSKDSA-N 1 2 276.336 1.019 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181536700 189300003 /nfs/dbraw/zinc/30/00/03/189300003.db2.gz BRVJVZJOTJAKJX-OAHLLOKOSA-N 1 2 274.364 1.232 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181536700 189300004 /nfs/dbraw/zinc/30/00/04/189300004.db2.gz BRVJVZJOTJAKJX-OAHLLOKOSA-N 1 2 274.364 1.232 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000329366884 361491449 /nfs/dbraw/zinc/49/14/49/361491449.db2.gz IQAFTTSNOQIUGE-YPMHNXCESA-N 1 2 278.356 1.333 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000329393503 361499188 /nfs/dbraw/zinc/49/91/88/361499188.db2.gz SPFOGNWFRFXCRO-LLVKDONJSA-N 1 2 288.355 1.567 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)C1(C(=O)OC)CCCC1 ZINC000159177312 361557240 /nfs/dbraw/zinc/55/72/40/361557240.db2.gz USYPNHBDSGMHRQ-UHFFFAOYSA-N 1 2 294.395 1.605 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+](C)C1(C(=O)OC)CCCC1 ZINC000159177312 361557245 /nfs/dbraw/zinc/55/72/45/361557245.db2.gz USYPNHBDSGMHRQ-UHFFFAOYSA-N 1 2 294.395 1.605 20 30 CDEDLO O=C(NCC[C@@H]1CCOC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329676899 361702276 /nfs/dbraw/zinc/70/22/76/361702276.db2.gz WJDQAMPBQJEJBK-GFCCVEGCSA-N 1 2 292.383 1.930 20 30 CDEDLO C[C@@H]1OCC[N@H+](Cc2cnc3c(C#N)cnn3c2)[C@H]1C ZINC000580834412 363949295 /nfs/dbraw/zinc/94/92/95/363949295.db2.gz AILQNLXSUYTCGL-QWRGUYRKSA-N 1 2 271.324 1.210 20 30 CDEDLO C[C@@H]1OCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)[C@H]1C ZINC000580834412 363949300 /nfs/dbraw/zinc/94/93/00/363949300.db2.gz AILQNLXSUYTCGL-QWRGUYRKSA-N 1 2 271.324 1.210 20 30 CDEDLO CCC[C@@H](C#N)NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000532762058 364005125 /nfs/dbraw/zinc/00/51/25/364005125.db2.gz GWLYSPNLCNKUPC-MNOVXSKESA-N 1 2 255.387 1.232 20 30 CDEDLO CCOC(=O)C(C)(C)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000580900482 363953985 /nfs/dbraw/zinc/95/39/85/363953985.db2.gz LUNDBPMLJWJOLZ-UHFFFAOYSA-N 1 2 261.325 1.727 20 30 CDEDLO CCOC(=O)C(C)(C)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000580900482 363953988 /nfs/dbraw/zinc/95/39/88/363953988.db2.gz LUNDBPMLJWJOLZ-UHFFFAOYSA-N 1 2 261.325 1.727 20 30 CDEDLO CCOc1nc(C)ccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000570876573 364061765 /nfs/dbraw/zinc/06/17/65/364061765.db2.gz YVWFPIWFVNALBU-HNNXBMFYSA-N 1 2 290.367 1.362 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCCC2CCOCC2)nn1 ZINC000641112193 365070453 /nfs/dbraw/zinc/07/04/53/365070453.db2.gz IIRJBCILBGTJCQ-UHFFFAOYSA-N 1 2 276.384 1.598 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cnn(C(C)(C)C)c2)nn1 ZINC000641152979 365122641 /nfs/dbraw/zinc/12/26/41/365122641.db2.gz WRSKETYUTSFBPY-UHFFFAOYSA-N 1 2 286.383 1.391 20 30 CDEDLO C=CCOCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000354065083 365405622 /nfs/dbraw/zinc/40/56/22/365405622.db2.gz PJMKRMOMUTXNAH-UHFFFAOYSA-N 1 2 299.374 1.405 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000580282893 365447221 /nfs/dbraw/zinc/44/72/21/365447221.db2.gz PJEZXWVVCVBTHL-KGLIPLIRSA-N 1 2 285.347 1.727 20 30 CDEDLO CC[N@H+](CC(C)(C)O)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000270724584 366925309 /nfs/dbraw/zinc/92/53/09/366925309.db2.gz LOLUBYWEZRMXOT-AWEZNQCLSA-N 1 2 290.363 1.865 20 30 CDEDLO CC[N@@H+](CC(C)(C)O)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000270724584 366925317 /nfs/dbraw/zinc/92/53/17/366925317.db2.gz LOLUBYWEZRMXOT-AWEZNQCLSA-N 1 2 290.363 1.865 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1O ZINC000270857119 366937636 /nfs/dbraw/zinc/93/76/36/366937636.db2.gz HQDNLKHHDCJSPQ-KOLCDFICSA-N 1 2 279.365 1.261 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1O ZINC000270857119 366937645 /nfs/dbraw/zinc/93/76/45/366937645.db2.gz HQDNLKHHDCJSPQ-KOLCDFICSA-N 1 2 279.365 1.261 20 30 CDEDLO CC[N@@H+](Cc1ccc2c(c1)NC(=O)CO2)C[C@H](C)C#N ZINC000507584588 367011777 /nfs/dbraw/zinc/01/17/77/367011777.db2.gz RWNSSYPLAQLZBT-LLVKDONJSA-N 1 2 273.336 1.999 20 30 CDEDLO CC[N@H+](Cc1ccc2c(c1)NC(=O)CO2)C[C@H](C)C#N ZINC000507584588 367011787 /nfs/dbraw/zinc/01/17/87/367011787.db2.gz RWNSSYPLAQLZBT-LLVKDONJSA-N 1 2 273.336 1.999 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000357789765 367210981 /nfs/dbraw/zinc/21/09/81/367210981.db2.gz FLBAHDOSCKVLAO-ZFWWWQNUSA-N 1 2 287.363 1.336 20 30 CDEDLO C=C[C@H](CO)NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000358460005 367699229 /nfs/dbraw/zinc/69/92/29/367699229.db2.gz OTVIHQUIPWLKHZ-SNVBAGLBSA-N 1 2 294.742 1.334 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000538628428 368326038 /nfs/dbraw/zinc/32/60/38/368326038.db2.gz VDZOBEGFUXEWIX-SFDCQRBFSA-N 1 2 281.400 1.539 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000538628428 368326042 /nfs/dbraw/zinc/32/60/42/368326042.db2.gz VDZOBEGFUXEWIX-SFDCQRBFSA-N 1 2 281.400 1.539 20 30 CDEDLO Cc1cccn2cc(CC(=O)NCCCC#N)[nH+]c12 ZINC000543160038 368888679 /nfs/dbraw/zinc/88/86/79/368888679.db2.gz XQMNSFXAXSUCKE-UHFFFAOYSA-N 1 2 256.309 1.605 20 30 CDEDLO C[C@@H]1C[N@@H+](CCSc2nnc(CC#N)n2C)C[C@H](C)O1 ZINC000565241088 370401362 /nfs/dbraw/zinc/40/13/62/370401362.db2.gz PUEZSQYZRFDWEU-PHIMTYICSA-N 1 2 295.412 1.082 20 30 CDEDLO C[C@@H]1C[N@H+](CCSc2nnc(CC#N)n2C)C[C@H](C)O1 ZINC000565241088 370401363 /nfs/dbraw/zinc/40/13/63/370401363.db2.gz PUEZSQYZRFDWEU-PHIMTYICSA-N 1 2 295.412 1.082 20 30 CDEDLO Cn1cc[nH+]c1CN1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000331625834 204023617 /nfs/dbraw/zinc/02/36/17/204023617.db2.gz QZTKJDRWQAEMQF-OAHLLOKOSA-N 1 2 282.347 1.865 20 30 CDEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000331713364 204098427 /nfs/dbraw/zinc/09/84/27/204098427.db2.gz GMMASDRAORJQDU-XJKSGUPXSA-N 1 2 297.362 1.612 20 30 CDEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000331713364 204098430 /nfs/dbraw/zinc/09/84/30/204098430.db2.gz GMMASDRAORJQDU-XJKSGUPXSA-N 1 2 297.362 1.612 20 30 CDEDLO Cc1cc(C)cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000568826321 371232263 /nfs/dbraw/zinc/23/22/63/371232263.db2.gz JMQAWLXJKLVLLV-OAHLLOKOSA-N 1 2 259.353 1.877 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(F)c(C#N)c1 ZINC000568888729 371233220 /nfs/dbraw/zinc/23/32/20/371233220.db2.gz BQZYTRZTNYLCQF-CQSZACIVSA-N 1 2 274.299 1.271 20 30 CDEDLO C=CCOc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000171926422 372210903 /nfs/dbraw/zinc/21/09/03/372210903.db2.gz YHGRILWXORCMAK-UHFFFAOYSA-N 1 2 274.364 1.916 20 30 CDEDLO C=CCCc1noc([C@@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000351267948 372380492 /nfs/dbraw/zinc/38/04/92/372380492.db2.gz KJMHYALLMGAAJT-NSHDSACASA-N 1 2 251.330 1.970 20 30 CDEDLO C=CCCc1noc([C@@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC000351267948 372380494 /nfs/dbraw/zinc/38/04/94/372380494.db2.gz KJMHYALLMGAAJT-NSHDSACASA-N 1 2 251.330 1.970 20 30 CDEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000191097589 373444740 /nfs/dbraw/zinc/44/47/40/373444740.db2.gz BJCITTUPYSLPQP-NSHDSACASA-N 1 2 267.329 1.444 20 30 CDEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000191097589 373444747 /nfs/dbraw/zinc/44/47/47/373444747.db2.gz BJCITTUPYSLPQP-NSHDSACASA-N 1 2 267.329 1.444 20 30 CDEDLO C[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c(C#N)c2)CCO1 ZINC000547328618 373626553 /nfs/dbraw/zinc/62/65/53/373626553.db2.gz FRZDEWYKRNVJMB-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])c(C#N)c2)CCO1 ZINC000547328618 373626556 /nfs/dbraw/zinc/62/65/56/373626556.db2.gz FRZDEWYKRNVJMB-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]([C@@H](C)C(=O)OC)C1CCC1 ZINC000192381553 373601316 /nfs/dbraw/zinc/60/13/16/373601316.db2.gz QNPRKZOABLQVRS-LBPRGKRZSA-N 1 2 295.383 1.165 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]([C@@H](C)C(=O)OC)C1CCC1 ZINC000192381553 373601328 /nfs/dbraw/zinc/60/13/28/373601328.db2.gz QNPRKZOABLQVRS-LBPRGKRZSA-N 1 2 295.383 1.165 20 30 CDEDLO COCCC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000355090193 373820938 /nfs/dbraw/zinc/82/09/38/373820938.db2.gz SVYLDWQIORSMGP-UHFFFAOYSA-N 1 2 287.363 1.239 20 30 CDEDLO CC[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000298307564 373841303 /nfs/dbraw/zinc/84/13/03/373841303.db2.gz YHNPHAOTCWTMBF-HZPDHXFCSA-N 1 2 299.374 1.774 20 30 CDEDLO CC[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000298307564 373841307 /nfs/dbraw/zinc/84/13/07/373841307.db2.gz YHNPHAOTCWTMBF-HZPDHXFCSA-N 1 2 299.374 1.774 20 30 CDEDLO Cc1nc(C(=O)N(C)Cc2[nH+]ccn2C)ccc1C#N ZINC000298341926 373841359 /nfs/dbraw/zinc/84/13/59/373841359.db2.gz MTBLULYIDGWRJX-UHFFFAOYSA-N 1 2 269.308 1.267 20 30 CDEDLO CCN(C)C(=O)C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000299380397 373905553 /nfs/dbraw/zinc/90/55/53/373905553.db2.gz GZADJPYIUKZVEP-UHFFFAOYSA-N 1 2 289.379 1.485 20 30 CDEDLO CCN(C)C(=O)C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000299380397 373905557 /nfs/dbraw/zinc/90/55/57/373905557.db2.gz GZADJPYIUKZVEP-UHFFFAOYSA-N 1 2 289.379 1.485 20 30 CDEDLO C[C@@H](C(=O)NCc1[nH+]ccn1C)c1cccc(C#N)c1 ZINC000360140643 374003466 /nfs/dbraw/zinc/00/34/66/374003466.db2.gz IOQZOWYULXALMQ-LLVKDONJSA-N 1 2 268.320 1.712 20 30 CDEDLO Cn1ccnc1C[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000062251974 374135957 /nfs/dbraw/zinc/13/59/57/374135957.db2.gz YMLIMXSPPKVRBT-CQSZACIVSA-N 1 2 270.336 1.457 20 30 CDEDLO Cn1ccnc1C[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000062251974 374135960 /nfs/dbraw/zinc/13/59/60/374135960.db2.gz YMLIMXSPPKVRBT-CQSZACIVSA-N 1 2 270.336 1.457 20 30 CDEDLO Cc1[nH+]c2ccccn2c1Cn1cncc(C#N)c1=O ZINC000351750177 374267657 /nfs/dbraw/zinc/26/76/57/374267657.db2.gz SMUGXKXJPSZKRO-UHFFFAOYSA-N 1 2 265.276 1.119 20 30 CDEDLO COCC(=O)N1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000342695658 374399457 /nfs/dbraw/zinc/39/94/57/374399457.db2.gz PLJDLWJICOJAAL-UHFFFAOYSA-N 1 2 287.363 1.043 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCCC2)cc1 ZINC000081512209 374511386 /nfs/dbraw/zinc/51/13/86/374511386.db2.gz PXDRQYLNSHIKJR-UHFFFAOYSA-N 1 2 264.350 1.428 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000334167427 374499087 /nfs/dbraw/zinc/49/90/87/374499087.db2.gz APFNUBLKUQHZQX-MFKMUULPSA-N 1 2 261.300 1.458 20 30 CDEDLO N#Cc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)c[nH]1 ZINC000376855501 374572752 /nfs/dbraw/zinc/57/27/52/374572752.db2.gz LAVNFOAJQMKTPG-UHFFFAOYSA-N 1 2 292.302 1.397 20 30 CDEDLO CC[C@@H](CO)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000294140701 375194102 /nfs/dbraw/zinc/19/41/02/375194102.db2.gz PIMRLGYTBWPWFA-ZDUSSCGKSA-N 1 2 296.392 1.035 20 30 CDEDLO CC[C@@H](CO)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000294140701 375194109 /nfs/dbraw/zinc/19/41/09/375194109.db2.gz PIMRLGYTBWPWFA-ZDUSSCGKSA-N 1 2 296.392 1.035 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000193858534 375903294 /nfs/dbraw/zinc/90/32/94/375903294.db2.gz VATSISAKLUBVDB-NEPJUHHUSA-N 1 2 262.357 1.280 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000193858534 375903302 /nfs/dbraw/zinc/90/33/02/375903302.db2.gz VATSISAKLUBVDB-NEPJUHHUSA-N 1 2 262.357 1.280 20 30 CDEDLO C[C@]1(NC(=O)NC[C@@H]2CCCn3cc[nH+]c32)CCOC1 ZINC000328808633 375959196 /nfs/dbraw/zinc/95/91/96/375959196.db2.gz IPCCTRRQMQXJQY-FZMZJTMJSA-N 1 2 278.356 1.443 20 30 CDEDLO CN(CC(=O)NC1CC1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328905759 376020593 /nfs/dbraw/zinc/02/05/93/376020593.db2.gz BALCHNJEWCJNKO-JTQLQIEISA-N 1 2 276.340 1.023 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](CC)O[C@@H](CC)C1 ZINC000420946985 376491081 /nfs/dbraw/zinc/49/10/81/376491081.db2.gz CIUFZOYKEWGHPO-RWMBFGLXSA-N 1 2 297.399 1.276 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](CC)O[C@@H](CC)C1 ZINC000420946985 376491087 /nfs/dbraw/zinc/49/10/87/376491087.db2.gz CIUFZOYKEWGHPO-RWMBFGLXSA-N 1 2 297.399 1.276 20 30 CDEDLO C=CC[N@@H+](CC(=O)NCC)Cc1ccc(OC)cc1 ZINC000056291357 377712730 /nfs/dbraw/zinc/71/27/30/377712730.db2.gz IRSGZKCYUSXEBK-UHFFFAOYSA-N 1 2 262.353 1.819 20 30 CDEDLO C=CC[N@H+](CC(=O)NCC)Cc1ccc(OC)cc1 ZINC000056291357 377712735 /nfs/dbraw/zinc/71/27/35/377712735.db2.gz IRSGZKCYUSXEBK-UHFFFAOYSA-N 1 2 262.353 1.819 20 30 CDEDLO CC(C)(C)CCNC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057873291 377858816 /nfs/dbraw/zinc/85/88/16/377858816.db2.gz LWCDUFYUAJGTCW-UHFFFAOYSA-N 1 2 251.374 1.774 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000280594588 377967585 /nfs/dbraw/zinc/96/75/85/377967585.db2.gz OIXROOBOSSQWDF-IHRRRGAJSA-N 1 2 292.383 1.552 20 30 CDEDLO CC[N@H+](CC#Cc1cccc(Cl)c1)[C@H]1CCNC1=O ZINC000282199747 378027433 /nfs/dbraw/zinc/02/74/33/378027433.db2.gz COSJMRNGSSXFEH-AWEZNQCLSA-N 1 2 276.767 1.902 20 30 CDEDLO CC[N@@H+](CC#Cc1cccc(Cl)c1)[C@H]1CCNC1=O ZINC000282199747 378027436 /nfs/dbraw/zinc/02/74/36/378027436.db2.gz COSJMRNGSSXFEH-AWEZNQCLSA-N 1 2 276.767 1.902 20 30 CDEDLO C#CCCCCNc1nc(NC(C)C)nc(NCCO)[nH+]1 ZINC000288073850 378292579 /nfs/dbraw/zinc/29/25/79/378292579.db2.gz YWPRHWVELJFCSN-UHFFFAOYSA-N 1 2 292.387 1.312 20 30 CDEDLO C#CCCCCNc1nc(NCCO)nc(NC(C)C)[nH+]1 ZINC000288073850 378292590 /nfs/dbraw/zinc/29/25/90/378292590.db2.gz YWPRHWVELJFCSN-UHFFFAOYSA-N 1 2 292.387 1.312 20 30 CDEDLO C#CCCCCNc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000288073850 378292594 /nfs/dbraw/zinc/29/25/94/378292594.db2.gz YWPRHWVELJFCSN-UHFFFAOYSA-N 1 2 292.387 1.312 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135607156 378232499 /nfs/dbraw/zinc/23/24/99/378232499.db2.gz LKCYJKJHVFTEFT-UHFFFAOYSA-N 1 2 294.395 1.068 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCOC2(CCOCC2)C1 ZINC000135607156 378232504 /nfs/dbraw/zinc/23/25/04/378232504.db2.gz LKCYJKJHVFTEFT-UHFFFAOYSA-N 1 2 294.395 1.068 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000343349596 378803508 /nfs/dbraw/zinc/80/35/08/378803508.db2.gz AKTZZTSFCLUELZ-GDBMZVCRSA-N 1 2 296.411 1.195 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000343349596 378803512 /nfs/dbraw/zinc/80/35/12/378803512.db2.gz AKTZZTSFCLUELZ-GDBMZVCRSA-N 1 2 296.411 1.195 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+](CCC)CC(=O)OC(C)(C)C ZINC000186315555 378846724 /nfs/dbraw/zinc/84/67/24/378846724.db2.gz NXSSMPARCNOFLB-GFCCVEGCSA-N 1 2 282.384 1.178 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](CCC)CC(=O)OC(C)(C)C ZINC000186315555 378846728 /nfs/dbraw/zinc/84/67/28/378846728.db2.gz NXSSMPARCNOFLB-GFCCVEGCSA-N 1 2 282.384 1.178 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1sccc1C(=O)OCC ZINC000266936321 190292074 /nfs/dbraw/zinc/29/20/74/190292074.db2.gz PTFORSNPFGLQPN-UHFFFAOYSA-N 1 2 294.376 1.818 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1sccc1C(=O)OCC ZINC000266936321 190292075 /nfs/dbraw/zinc/29/20/75/190292075.db2.gz PTFORSNPFGLQPN-UHFFFAOYSA-N 1 2 294.376 1.818 20 30 CDEDLO N#Cc1ccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)cc1F ZINC000421388132 390635012 /nfs/dbraw/zinc/63/50/12/390635012.db2.gz VEBOAVRHBXSXPF-UHFFFAOYSA-N 1 2 271.299 1.983 20 30 CDEDLO Cc1ccccc1Cc1noc(CO[NH+]=C(N)CCO)n1 ZINC000136072540 390940978 /nfs/dbraw/zinc/94/09/78/390940978.db2.gz ZQEWFVIBNUBPBJ-UHFFFAOYSA-N 1 2 290.323 1.140 20 30 CDEDLO C=CCNC(=O)C[N@@H+](CCC1CCCCC1)CC(N)=O ZINC000101567812 390947780 /nfs/dbraw/zinc/94/77/80/390947780.db2.gz VJALVXOUUBMHBW-UHFFFAOYSA-N 1 2 281.400 1.046 20 30 CDEDLO C=CCNC(=O)C[N@H+](CCC1CCCCC1)CC(N)=O ZINC000101567812 390947781 /nfs/dbraw/zinc/94/77/81/390947781.db2.gz VJALVXOUUBMHBW-UHFFFAOYSA-N 1 2 281.400 1.046 20 30 CDEDLO N#Cc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1O ZINC000188210940 390951379 /nfs/dbraw/zinc/95/13/79/390951379.db2.gz HGGHGAOTKOCQCK-UHFFFAOYSA-N 1 2 270.292 1.280 20 30 CDEDLO COc1ccc(C(N)=[NH+]O[C@H](C)c2nnc(C)o2)cc1 ZINC000122198870 390898338 /nfs/dbraw/zinc/89/83/38/390898338.db2.gz YLYZMUJLOLGPLH-MRVPVSSYSA-N 1 2 276.296 1.785 20 30 CDEDLO Cc1ccccc1CCCO[NH+]=C(N)CN1CCOCC1 ZINC000124161761 390913392 /nfs/dbraw/zinc/91/33/92/390913392.db2.gz UPZZISMCNLAJGE-UHFFFAOYSA-N 1 2 291.395 1.549 20 30 CDEDLO O=C(N[C@@H]1CCO[C@H]1C1CC1)N1CCn2c[nH+]cc2C1 ZINC000329553880 391012674 /nfs/dbraw/zinc/01/26/74/391012674.db2.gz BCYQXDOPPKAOPU-OLZOCXBDSA-N 1 2 276.340 1.180 20 30 CDEDLO CCc1ccc(C#CC(=O)NCc2[nH+]ccn2C)cc1 ZINC000293038708 391022449 /nfs/dbraw/zinc/02/24/49/391022449.db2.gz JOZUSWNYTBGNFA-UHFFFAOYSA-N 1 2 267.332 1.650 20 30 CDEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)[nH]1 ZINC000329491781 390997818 /nfs/dbraw/zinc/99/78/18/390997818.db2.gz VRNLXSUPTQLMEC-MWLCHTKSSA-N 1 2 277.372 1.800 20 30 CDEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)NC3CC3)C2)[nH]1 ZINC000329491781 390997824 /nfs/dbraw/zinc/99/78/24/390997824.db2.gz VRNLXSUPTQLMEC-MWLCHTKSSA-N 1 2 277.372 1.800 20 30 CDEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)n1 ZINC000329491781 390997828 /nfs/dbraw/zinc/99/78/28/390997828.db2.gz VRNLXSUPTQLMEC-MWLCHTKSSA-N 1 2 277.372 1.800 20 30 CDEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)C(=O)NC3CC3)C2)n1 ZINC000329491781 390997833 /nfs/dbraw/zinc/99/78/33/390997833.db2.gz VRNLXSUPTQLMEC-MWLCHTKSSA-N 1 2 277.372 1.800 20 30 CDEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)n[nH]1 ZINC000329491781 390997835 /nfs/dbraw/zinc/99/78/35/390997835.db2.gz VRNLXSUPTQLMEC-MWLCHTKSSA-N 1 2 277.372 1.800 20 30 CDEDLO Cc1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)NC3CC3)C2)n[nH]1 ZINC000329491781 390997839 /nfs/dbraw/zinc/99/78/39/390997839.db2.gz VRNLXSUPTQLMEC-MWLCHTKSSA-N 1 2 277.372 1.800 20 30 CDEDLO [O-]C(NC[C@@H]1CCSC1)=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329541009 391009013 /nfs/dbraw/zinc/00/90/13/391009013.db2.gz DGHMQCSZUPLKRU-UWVGGRQHSA-N 1 2 280.397 1.524 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000329541813 391009295 /nfs/dbraw/zinc/00/92/95/391009295.db2.gz DQKNWQBNXGFUBS-MBNYWOFBSA-N 1 2 268.357 1.090 20 30 CDEDLO C=C(C)C[N@@H+](C)CC(=O)NCC(=O)c1ccccc1 ZINC000351104750 391038615 /nfs/dbraw/zinc/03/86/15/391038615.db2.gz VAQSFAVYSPARJD-UHFFFAOYSA-N 1 2 260.337 1.493 20 30 CDEDLO C=C(C)C[N@H+](C)CC(=O)NCC(=O)c1ccccc1 ZINC000351104750 391038618 /nfs/dbraw/zinc/03/86/18/391038618.db2.gz VAQSFAVYSPARJD-UHFFFAOYSA-N 1 2 260.337 1.493 20 30 CDEDLO C=CCSCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373586219 391124198 /nfs/dbraw/zinc/12/41/98/391124198.db2.gz RAYOCSZRGKDLCV-NSHDSACASA-N 1 2 265.382 1.481 20 30 CDEDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000337411248 391147040 /nfs/dbraw/zinc/14/70/40/391147040.db2.gz PANVOWCOPYJXOL-HNNXBMFYSA-N 1 2 292.404 1.957 20 30 CDEDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000337411248 391147043 /nfs/dbraw/zinc/14/70/43/391147043.db2.gz PANVOWCOPYJXOL-HNNXBMFYSA-N 1 2 292.404 1.957 20 30 CDEDLO C#C[C@@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)C(C)C ZINC000374197952 391153287 /nfs/dbraw/zinc/15/32/87/391153287.db2.gz IBNGCTSQZYEXNB-CHWSQXEVSA-N 1 2 274.368 1.577 20 30 CDEDLO N#CCCn1ccc(NC(=O)NCCNc2cccc[nH+]2)n1 ZINC000265457899 391156479 /nfs/dbraw/zinc/15/64/79/391156479.db2.gz WDAFFADLFULJCV-UHFFFAOYSA-N 1 2 299.338 1.425 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)NCCc1cccs1 ZINC000265165346 391152009 /nfs/dbraw/zinc/15/20/09/391152009.db2.gz XCJHHQATMZDEGA-NWDGAFQWSA-N 1 2 279.409 1.887 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)NCCc1cccs1 ZINC000265165346 391152011 /nfs/dbraw/zinc/15/20/11/391152011.db2.gz XCJHHQATMZDEGA-NWDGAFQWSA-N 1 2 279.409 1.887 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000491622297 391164431 /nfs/dbraw/zinc/16/44/31/391164431.db2.gz IAFAXXXIIRXALO-OAHLLOKOSA-N 1 2 256.349 1.745 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000491622297 391164435 /nfs/dbraw/zinc/16/44/35/391164435.db2.gz IAFAXXXIIRXALO-OAHLLOKOSA-N 1 2 256.349 1.745 20 30 CDEDLO C=CCOCC[N@@H+]1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000339085828 391249368 /nfs/dbraw/zinc/24/93/68/391249368.db2.gz XSPUYEYCRUVXIW-HNNXBMFYSA-N 1 2 274.364 1.232 20 30 CDEDLO C=CCOCC[N@H+]1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000339085828 391249370 /nfs/dbraw/zinc/24/93/70/391249370.db2.gz XSPUYEYCRUVXIW-HNNXBMFYSA-N 1 2 274.364 1.232 20 30 CDEDLO COC[C@@](C)(C#N)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000269647006 391253530 /nfs/dbraw/zinc/25/35/30/391253530.db2.gz YZBLJASGOOHLDM-MRXNPFEDSA-N 1 2 298.346 1.590 20 30 CDEDLO COCCOCCO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000183247773 391257780 /nfs/dbraw/zinc/25/77/80/391257780.db2.gz GGJOMZYYFNMCCK-UHFFFAOYSA-N 1 2 270.304 1.434 20 30 CDEDLO Cc1nnc([C@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)s1 ZINC000353039194 391333854 /nfs/dbraw/zinc/33/38/54/391333854.db2.gz ICPVGPBCLYAZHE-DTWKUNHWSA-N 1 2 281.385 1.258 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCCc1[nH]cc[nH+]1)OCC ZINC000339370285 391290744 /nfs/dbraw/zinc/29/07/44/391290744.db2.gz VRPUHRMOXSRRRV-NSHDSACASA-N 1 2 251.330 1.440 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCCC[C@H]1CO ZINC000049752370 391336002 /nfs/dbraw/zinc/33/60/02/391336002.db2.gz LZRQGHQSNCNMHQ-NSHDSACASA-N 1 2 279.365 1.405 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCC[C@H]1CO ZINC000049752370 391336006 /nfs/dbraw/zinc/33/60/06/391336006.db2.gz LZRQGHQSNCNMHQ-NSHDSACASA-N 1 2 279.365 1.405 20 30 CDEDLO C[C@@H](C#N)N(C)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000410885262 391363216 /nfs/dbraw/zinc/36/32/16/391363216.db2.gz VQEVWHUTCONYNA-FRRDWIJNSA-N 1 2 272.352 1.524 20 30 CDEDLO Cc1nc(C(=O)NCC[N@H+]2CCOC[C@H]2C)c(C)o1 ZINC000330481734 391429496 /nfs/dbraw/zinc/42/94/96/391429496.db2.gz QESDIJBRTSRTIO-SECBINFHSA-N 1 2 267.329 1.317 20 30 CDEDLO Cc1nc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)c(C)o1 ZINC000330481734 391429499 /nfs/dbraw/zinc/42/94/99/391429499.db2.gz QESDIJBRTSRTIO-SECBINFHSA-N 1 2 267.329 1.317 20 30 CDEDLO C=CCOc1ccccc1C[N@@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000355263196 391446312 /nfs/dbraw/zinc/44/63/12/391446312.db2.gz LYYLUUILZPHIHE-SWLSCSKDSA-N 1 2 290.363 1.326 20 30 CDEDLO C=CCOc1ccccc1C[N@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000355263196 391446316 /nfs/dbraw/zinc/44/63/16/391446316.db2.gz LYYLUUILZPHIHE-SWLSCSKDSA-N 1 2 290.363 1.326 20 30 CDEDLO Cc1[nH+]ccn1CCC[NH+]=C([O-])N1C[C@H](C)OC(C)(C)C1 ZINC000330398352 391415755 /nfs/dbraw/zinc/41/57/55/391415755.db2.gz QCXOMDDJHUDWQO-LBPRGKRZSA-N 1 2 294.399 1.995 20 30 CDEDLO CC[C@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)C[C@H](C)O1 ZINC000567896445 391546423 /nfs/dbraw/zinc/54/64/23/391546423.db2.gz OEXMMVBETUILOH-FZMZJTMJSA-N 1 2 285.351 1.600 20 30 CDEDLO CC[C@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)C[C@H](C)O1 ZINC000567896445 391546427 /nfs/dbraw/zinc/54/64/27/391546427.db2.gz OEXMMVBETUILOH-FZMZJTMJSA-N 1 2 285.351 1.600 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1C(=O)NC ZINC000104670295 391555011 /nfs/dbraw/zinc/55/50/11/391555011.db2.gz SFUURRDCROZMPE-CYBMUJFWSA-N 1 2 281.400 1.012 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC[C@@H]1C(=O)NC ZINC000104670295 391555018 /nfs/dbraw/zinc/55/50/18/391555018.db2.gz SFUURRDCROZMPE-CYBMUJFWSA-N 1 2 281.400 1.012 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1c(F)cncc1F ZINC000285896677 391718237 /nfs/dbraw/zinc/71/82/37/391718237.db2.gz ZMVOSFHZGZZMBX-DTWKUNHWSA-N 1 2 267.279 1.148 20 30 CDEDLO C=CCOC[C@@H]([NH2+]C[C@@H]1CC=CCC1)C(=O)OC ZINC000361113247 391683430 /nfs/dbraw/zinc/68/34/30/391683430.db2.gz LGPRXZZFXJVBEI-CHWSQXEVSA-N 1 2 253.342 1.677 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)c1 ZINC000168538901 391739143 /nfs/dbraw/zinc/73/91/43/391739143.db2.gz IVUAGPWQLBKZIW-ZDUSSCGKSA-N 1 2 273.311 1.504 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CCN3C(=O)CC[C@H]3C2)c1 ZINC000168538901 391739146 /nfs/dbraw/zinc/73/91/46/391739146.db2.gz IVUAGPWQLBKZIW-ZDUSSCGKSA-N 1 2 273.311 1.504 20 30 CDEDLO CC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329153008 391762746 /nfs/dbraw/zinc/76/27/46/391762746.db2.gz BMRGIFNFHBOMBG-SMDDNHRTSA-N 1 2 290.367 1.625 20 30 CDEDLO CC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329153008 391762750 /nfs/dbraw/zinc/76/27/50/391762750.db2.gz BMRGIFNFHBOMBG-SMDDNHRTSA-N 1 2 290.367 1.625 20 30 CDEDLO N#Cc1ccc(F)cc1C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000495031333 391904053 /nfs/dbraw/zinc/90/40/53/391904053.db2.gz MNKSXGQIGPQUMV-UHFFFAOYSA-N 1 2 289.310 1.772 20 30 CDEDLO CN(C)C(=O)OC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000495818224 391917153 /nfs/dbraw/zinc/91/71/53/391917153.db2.gz JVTSWAQRQGVGLU-UHFFFAOYSA-N 1 2 294.380 1.677 20 30 CDEDLO N#CCC(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000334189231 392027651 /nfs/dbraw/zinc/02/76/51/392027651.db2.gz HPCDPVGVKBKUBX-GFCCVEGCSA-N 1 2 263.728 1.727 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Nc1ncc(C#N)cc1F ZINC000413057323 392825258 /nfs/dbraw/zinc/82/52/58/392825258.db2.gz FPPRPHRYUIPJBY-JTQLQIEISA-N 1 2 264.304 1.225 20 30 CDEDLO Cc1cc(N2CCC[C@@H](Cn3ccnn3)C2)c(C#N)c[nH+]1 ZINC000425243059 393001997 /nfs/dbraw/zinc/00/19/97/393001997.db2.gz DQPINUWWXDBUMH-CYBMUJFWSA-N 1 2 282.351 1.770 20 30 CDEDLO CCO[C@@H]1C[C@@](O)(CNc2cc(C)[nH+]cc2C#N)C1(C)C ZINC000425252410 393005325 /nfs/dbraw/zinc/00/53/25/393005325.db2.gz HDQZMITUHMDHEY-GDBMZVCRSA-N 1 2 289.379 1.662 20 30 CDEDLO C=CCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000660448653 413133531 /nfs/dbraw/zinc/13/35/31/413133531.db2.gz VBAJCRUPCNKOEQ-CQSZACIVSA-N 1 2 299.440 1.070 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCc2cccc(OC)c2C1 ZINC000650106650 397724220 /nfs/dbraw/zinc/72/42/20/397724220.db2.gz REQVSOBUPBQWEK-LBPRGKRZSA-N 1 2 274.364 1.744 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCc2cccc(OC)c2C1 ZINC000650106650 397724222 /nfs/dbraw/zinc/72/42/22/397724222.db2.gz REQVSOBUPBQWEK-LBPRGKRZSA-N 1 2 274.364 1.744 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(C)cc2)nn1 ZINC000656433331 413232890 /nfs/dbraw/zinc/23/28/90/413232890.db2.gz MMHNWWCUKMTDLB-UHFFFAOYSA-N 1 2 254.337 1.748 20 30 CDEDLO Cc1cc(C[N@H+]2CCC[C@@H]2c2nc(N)n(C)n2)ccc1C#N ZINC000331835918 149274535 /nfs/dbraw/zinc/27/45/35/149274535.db2.gz OTASURBEIDLUBB-CQSZACIVSA-N 1 2 296.378 1.745 20 30 CDEDLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2nc(N)n(C)n2)ccc1C#N ZINC000331835918 149274537 /nfs/dbraw/zinc/27/45/37/149274537.db2.gz OTASURBEIDLUBB-CQSZACIVSA-N 1 2 296.378 1.745 20 30 CDEDLO Cc1c(C#N)cccc1NC(=O)NCc1c[nH+]cn1C ZINC000335778188 151011766 /nfs/dbraw/zinc/01/17/66/151011766.db2.gz AXHJQRIFHFKXTR-UHFFFAOYSA-N 1 2 269.308 1.922 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@H+]1CCSC[C@H]1CO ZINC000335939295 151132980 /nfs/dbraw/zinc/13/29/80/151132980.db2.gz TYISQTCYYHLTAT-CYBMUJFWSA-N 1 2 266.341 1.607 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCSC[C@H]1CO ZINC000335939295 151132983 /nfs/dbraw/zinc/13/29/83/151132983.db2.gz TYISQTCYYHLTAT-CYBMUJFWSA-N 1 2 266.341 1.607 20 30 CDEDLO CC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)C[C@@H](C)O ZINC000352220373 155031944 /nfs/dbraw/zinc/03/19/44/155031944.db2.gz HZDFJDTUJGWCCJ-GFCCVEGCSA-N 1 2 296.392 1.035 20 30 CDEDLO CC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)C[C@@H](C)O ZINC000352220373 155031950 /nfs/dbraw/zinc/03/19/50/155031950.db2.gz HZDFJDTUJGWCCJ-GFCCVEGCSA-N 1 2 296.392 1.035 20 30 CDEDLO CC#CC[NH2+]Cc1cn(-c2ccccc2CC)nn1 ZINC000656451007 413306520 /nfs/dbraw/zinc/30/65/20/413306520.db2.gz GTIVARQLWQACDR-UHFFFAOYSA-N 1 2 254.337 1.943 20 30 CDEDLO CCOC(=O)[C@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356054118 157335917 /nfs/dbraw/zinc/33/59/17/157335917.db2.gz KDMXCNPNUDCDCC-JTQLQIEISA-N 1 2 279.365 1.790 20 30 CDEDLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356054118 157335920 /nfs/dbraw/zinc/33/59/20/157335920.db2.gz KDMXCNPNUDCDCC-JTQLQIEISA-N 1 2 279.365 1.790 20 30 CDEDLO N#Cc1cccc(CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000374099009 160253978 /nfs/dbraw/zinc/25/39/78/160253978.db2.gz JFXMXIOWYGCODM-OAHLLOKOSA-N 1 2 294.358 1.676 20 30 CDEDLO COc1cc(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)ccc1C#N ZINC000235007562 165046044 /nfs/dbraw/zinc/04/60/44/165046044.db2.gz QDICZBRQRRFMHN-AWEZNQCLSA-N 1 2 290.363 1.539 20 30 CDEDLO COc1cc(C[N@H+]2C[C@@H](CO)OC(C)(C)C2)ccc1C#N ZINC000235007562 165046047 /nfs/dbraw/zinc/04/60/47/165046047.db2.gz QDICZBRQRRFMHN-AWEZNQCLSA-N 1 2 290.363 1.539 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660992471 413711240 /nfs/dbraw/zinc/71/12/40/413711240.db2.gz RYCWUCGQHBIHAP-GJZGRUSLSA-N 1 2 295.427 1.847 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000661120665 413806494 /nfs/dbraw/zinc/80/64/94/413806494.db2.gz QOIOMYGDPDUEJZ-WCQYABFASA-N 1 2 278.356 1.532 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000661120665 413806502 /nfs/dbraw/zinc/80/65/02/413806502.db2.gz QOIOMYGDPDUEJZ-WCQYABFASA-N 1 2 278.356 1.532 20 30 CDEDLO C=CCN(C(=O)NCc1c[nH+]ccc1OC)[C@H](C)COC ZINC000664952180 413755226 /nfs/dbraw/zinc/75/52/26/413755226.db2.gz KEXBOABDVDEFPJ-GFCCVEGCSA-N 1 2 293.367 1.823 20 30 CDEDLO C=CCOc1ccccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000070991470 176019773 /nfs/dbraw/zinc/01/97/73/176019773.db2.gz XQNGSBYDCWTDIJ-UHFFFAOYSA-N 1 2 257.293 1.905 20 30 CDEDLO COCC[N@H+](CCC#N)C[C@H](O)c1ccc(C#N)cc1 ZINC000071224003 176088568 /nfs/dbraw/zinc/08/85/68/176088568.db2.gz XAVFMYBSXYHTEZ-HNNXBMFYSA-N 1 2 273.336 1.454 20 30 CDEDLO COCC[N@@H+](CCC#N)C[C@H](O)c1ccc(C#N)cc1 ZINC000071224003 176088570 /nfs/dbraw/zinc/08/85/70/176088570.db2.gz XAVFMYBSXYHTEZ-HNNXBMFYSA-N 1 2 273.336 1.454 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC(C)(C)C1 ZINC000078651657 177366684 /nfs/dbraw/zinc/36/66/84/177366684.db2.gz JWKGGVUKDRLXMG-UHFFFAOYSA-N 1 2 254.374 1.522 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOC(C)(C)C1 ZINC000078651657 177366685 /nfs/dbraw/zinc/36/66/85/177366685.db2.gz JWKGGVUKDRLXMG-UHFFFAOYSA-N 1 2 254.374 1.522 20 30 CDEDLO CN(C(=O)CC#N)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352767295 227201407 /nfs/dbraw/zinc/20/14/07/227201407.db2.gz FZCWVRFFZIQDGV-CYBMUJFWSA-N 1 2 254.293 1.871 20 30 CDEDLO CN(C(=O)CC#N)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352767301 227201649 /nfs/dbraw/zinc/20/16/49/227201649.db2.gz FZCWVRFFZIQDGV-ZDUSSCGKSA-N 1 2 254.293 1.871 20 30 CDEDLO Cc1cccn2cc(CNC(=O)[C@H]3COCCN3C)[nH+]c12 ZINC000329063213 227279633 /nfs/dbraw/zinc/27/96/33/227279633.db2.gz ZUJNOSPJQAPFNG-CYBMUJFWSA-N 1 2 288.351 1.430 20 30 CDEDLO CCc1nsc(N2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000330264673 228085204 /nfs/dbraw/zinc/08/52/04/228085204.db2.gz YFHGYMKCDLPTKT-NEPJUHHUSA-N 1 2 291.424 1.915 20 30 CDEDLO Cc1cc(N)nc(S[C@H](C)C(=O)NC2(C#N)CCC2)[nH+]1 ZINC000331878304 228134721 /nfs/dbraw/zinc/13/47/21/228134721.db2.gz NJAUFCFPMRODBM-SECBINFHSA-N 1 2 291.380 1.241 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)CCC1(F)F ZINC000331890276 228135561 /nfs/dbraw/zinc/13/55/61/228135561.db2.gz RBHLUEAKJQPKEO-ZWNOBZJWSA-N 1 2 285.338 1.772 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CCC1(F)F ZINC000331890276 228135563 /nfs/dbraw/zinc/13/55/63/228135563.db2.gz RBHLUEAKJQPKEO-ZWNOBZJWSA-N 1 2 285.338 1.772 20 30 CDEDLO O=C(NCc1ccc2c(c1)COC2)N1CCn2cc[nH+]c2C1 ZINC000330318629 228141106 /nfs/dbraw/zinc/14/11/06/228141106.db2.gz CNHZQEGWGMKDQL-UHFFFAOYSA-N 1 2 298.346 1.843 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000333390531 228199366 /nfs/dbraw/zinc/19/93/66/228199366.db2.gz LZGKEMPPLQQNSJ-AXFHLTTASA-N 1 2 273.340 1.258 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000333390531 228199367 /nfs/dbraw/zinc/19/93/67/228199367.db2.gz LZGKEMPPLQQNSJ-AXFHLTTASA-N 1 2 273.340 1.258 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(CC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000490866418 261232657 /nfs/dbraw/zinc/23/26/57/261232657.db2.gz OTGODMCANUJKNT-INIZCTEOSA-N 1 2 291.416 1.871 20 30 CDEDLO C#CC[N@H+](Cc1ccc(CC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000490866418 261232660 /nfs/dbraw/zinc/23/26/60/261232660.db2.gz OTGODMCANUJKNT-INIZCTEOSA-N 1 2 291.416 1.871 20 30 CDEDLO CC1(C)C[N@H+](CC2(C#N)CC2)C[C@]2(CCCOC2)O1 ZINC000361610334 261357760 /nfs/dbraw/zinc/35/77/60/261357760.db2.gz MIZICNQOTDATOX-HNNXBMFYSA-N 1 2 264.369 1.950 20 30 CDEDLO CC1(C)C[N@@H+](CC2(C#N)CC2)C[C@]2(CCCOC2)O1 ZINC000361610334 261357762 /nfs/dbraw/zinc/35/77/62/261357762.db2.gz MIZICNQOTDATOX-HNNXBMFYSA-N 1 2 264.369 1.950 20 30 CDEDLO C#C[C@@H](CC)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000491668886 261762896 /nfs/dbraw/zinc/76/28/96/261762896.db2.gz MZEKQKHPSGVAJY-LBPRGKRZSA-N 1 2 256.309 1.545 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N[C@H](C#N)C1CCCCC1 ZINC000189213481 262169267 /nfs/dbraw/zinc/16/92/67/262169267.db2.gz JQLTYGDXILDSMR-CQSZACIVSA-N 1 2 274.368 1.941 20 30 CDEDLO NC(=[NH+]OCC1OCCO1)c1cccc(Cl)c1 ZINC000191991097 262197607 /nfs/dbraw/zinc/19/76/07/262197607.db2.gz PYTPLMAITSAOFL-UHFFFAOYSA-N 1 2 256.689 1.350 20 30 CDEDLO CN(C)[C@H](C(=O)Nc1cnn(C)c1)c1c[nH+]cn1C ZINC000329392789 262267528 /nfs/dbraw/zinc/26/75/28/262267528.db2.gz SIFWKRFMDDWSKC-NSHDSACASA-N 1 2 262.317 1.045 20 30 CDEDLO CN(CC[NH+]1CCOCC1)C(=O)c1ccc(CC#N)cc1 ZINC000270276683 262985441 /nfs/dbraw/zinc/98/54/41/262985441.db2.gz HZFLVDMXSQDASB-UHFFFAOYSA-N 1 2 287.363 1.157 20 30 CDEDLO NC(=[NH+]OCC(=O)Nc1cccc(F)c1)[C@@H]1CCCO1 ZINC000283854990 263084528 /nfs/dbraw/zinc/08/45/28/263084528.db2.gz CBOSQWGDPLYNKS-NSHDSACASA-N 1 2 281.287 1.232 20 30 CDEDLO NC(=[NH+]OCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000284543917 263087295 /nfs/dbraw/zinc/08/72/95/263087295.db2.gz VPUHPPJPRJCSJF-LBPRGKRZSA-N 1 2 295.295 1.441 20 30 CDEDLO C=CC[N@@H+](CCC#N)C[C@@H]1CC(C(=O)OC)=C(C)O1 ZINC000292094980 263128257 /nfs/dbraw/zinc/12/82/57/263128257.db2.gz FWJNLVCTOIDVEC-LBPRGKRZSA-N 1 2 264.325 1.624 20 30 CDEDLO C=CC[N@H+](CCC#N)C[C@@H]1CC(C(=O)OC)=C(C)O1 ZINC000292094980 263128258 /nfs/dbraw/zinc/12/82/58/263128258.db2.gz FWJNLVCTOIDVEC-LBPRGKRZSA-N 1 2 264.325 1.624 20 30 CDEDLO COCC1(C/[NH+]=C/c2ccc(O)c(O)c2O)CCOCC1 ZINC000292141926 263128898 /nfs/dbraw/zinc/12/88/98/263128898.db2.gz UJOIOUUNRQCEKL-LZYBPNLTSA-N 1 2 295.335 1.666 20 30 CDEDLO Cc1ccoc1C[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000292370096 263131677 /nfs/dbraw/zinc/13/16/77/263131677.db2.gz QXGGGQXKXJRZFG-LBPRGKRZSA-N 1 2 263.341 1.780 20 30 CDEDLO Cc1ccoc1C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000292370096 263131678 /nfs/dbraw/zinc/13/16/78/263131678.db2.gz QXGGGQXKXJRZFG-LBPRGKRZSA-N 1 2 263.341 1.780 20 30 CDEDLO Cc1ccoc1C[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000292469315 263132571 /nfs/dbraw/zinc/13/25/71/263132571.db2.gz ZQBCWEVHEJVBMX-OAHLLOKOSA-N 1 2 275.352 1.828 20 30 CDEDLO Cc1ccoc1C[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000292469315 263132572 /nfs/dbraw/zinc/13/25/72/263132572.db2.gz ZQBCWEVHEJVBMX-OAHLLOKOSA-N 1 2 275.352 1.828 20 30 CDEDLO CC#CC[NH2+][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000120805092 263288353 /nfs/dbraw/zinc/28/83/53/263288353.db2.gz SHEQNRNBWTVVIJ-SECBINFHSA-N 1 2 260.301 1.165 20 30 CDEDLO CC#CCN(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000341002895 263315965 /nfs/dbraw/zinc/31/59/65/263315965.db2.gz HHIFGJHGVATFTK-UHFFFAOYSA-N 1 2 253.305 1.968 20 30 CDEDLO COCC1(C#N)CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000341979362 263369918 /nfs/dbraw/zinc/36/99/18/263369918.db2.gz OICOAZDVEAUNSC-ZDUSSCGKSA-N 1 2 260.341 1.682 20 30 CDEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H]1CCCO1 ZINC000328766385 263858762 /nfs/dbraw/zinc/85/87/62/263858762.db2.gz HDBHJQLUUUBXEG-GFCCVEGCSA-N 1 2 263.341 1.897 20 30 CDEDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000330905712 264073871 /nfs/dbraw/zinc/07/38/71/264073871.db2.gz RXKHMDGAABRHJM-NSHDSACASA-N 1 2 293.323 1.538 20 30 CDEDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000330905712 264073872 /nfs/dbraw/zinc/07/38/72/264073872.db2.gz RXKHMDGAABRHJM-NSHDSACASA-N 1 2 293.323 1.538 20 30 CDEDLO CC(C)c1cc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)nn1C ZINC000330970436 264091644 /nfs/dbraw/zinc/09/16/44/264091644.db2.gz JKRHBFOEIPXKPX-GFCCVEGCSA-N 1 2 294.399 1.569 20 30 CDEDLO CC(C)c1cc(C(=O)NCC[N@H+]2CCOC[C@H]2C)nn1C ZINC000330970436 264091646 /nfs/dbraw/zinc/09/16/46/264091646.db2.gz JKRHBFOEIPXKPX-GFCCVEGCSA-N 1 2 294.399 1.569 20 30 CDEDLO C=CCCC(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000331202486 264160967 /nfs/dbraw/zinc/16/09/67/264160967.db2.gz QUQHWOGOIYAAPX-AAEUAGOBSA-N 1 2 263.341 1.723 20 30 CDEDLO CC[C@]1(C)C[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CCO1 ZINC000331275116 264170307 /nfs/dbraw/zinc/17/03/07/264170307.db2.gz NKRZGRHWXOXSPT-FVQBIDKESA-N 1 2 295.427 1.930 20 30 CDEDLO CC[C@]1(C)C[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CCO1 ZINC000331275116 264170310 /nfs/dbraw/zinc/17/03/10/264170310.db2.gz NKRZGRHWXOXSPT-FVQBIDKESA-N 1 2 295.427 1.930 20 30 CDEDLO N#CC1CC[NH+](CC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000057906247 264419757 /nfs/dbraw/zinc/41/97/57/264419757.db2.gz AVIBWUXAYWGVAK-UHFFFAOYSA-N 1 2 286.335 1.570 20 30 CDEDLO C=C(C)CCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000665019873 424399056 /nfs/dbraw/zinc/39/90/56/424399056.db2.gz GSNIMILFUUPXJS-OLZOCXBDSA-N 1 2 269.389 1.361 20 30 CDEDLO C=C(C)CCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000665019873 424399062 /nfs/dbraw/zinc/39/90/62/424399062.db2.gz GSNIMILFUUPXJS-OLZOCXBDSA-N 1 2 269.389 1.361 20 30 CDEDLO CCOCCCNC(=O)[C@@H](C)[N@H+](CC)C[C@H](C)C#N ZINC000356481502 266123029 /nfs/dbraw/zinc/12/30/29/266123029.db2.gz TWRQHLCNBGCBOJ-CHWSQXEVSA-N 1 2 269.389 1.399 20 30 CDEDLO CCOCCCNC(=O)[C@@H](C)[N@@H+](CC)C[C@H](C)C#N ZINC000356481502 266123034 /nfs/dbraw/zinc/12/30/34/266123034.db2.gz TWRQHLCNBGCBOJ-CHWSQXEVSA-N 1 2 269.389 1.399 20 30 CDEDLO C=CCCC1(C(=O)NCC[N@@H+]2CCO[C@H](CC)C2)CC1 ZINC000357102803 266247951 /nfs/dbraw/zinc/24/79/51/266247951.db2.gz CRFYKCAMEUNOPW-CQSZACIVSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CCCC1(C(=O)NCC[N@H+]2CCO[C@H](CC)C2)CC1 ZINC000357102803 266247954 /nfs/dbraw/zinc/24/79/54/266247954.db2.gz CRFYKCAMEUNOPW-CQSZACIVSA-N 1 2 280.412 1.960 20 30 CDEDLO N#CCCC[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000114491101 266304968 /nfs/dbraw/zinc/30/49/68/266304968.db2.gz RLRDSWMWUBTKNJ-UHFFFAOYSA-N 1 2 267.270 1.808 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)NCC#Cc1cccc(F)c1 ZINC000358097258 266421951 /nfs/dbraw/zinc/42/19/51/266421951.db2.gz SETYWOGIYBGIDP-UHFFFAOYSA-N 1 2 286.310 1.410 20 30 CDEDLO COCCOCCCCNc1cc(C)[nH+]cc1C#N ZINC000399438253 266697533 /nfs/dbraw/zinc/69/75/33/266697533.db2.gz LCGRHNAYAAHEQM-UHFFFAOYSA-N 1 2 263.341 1.539 20 30 CDEDLO CC(C)(CCC#N)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000377171063 268052142 /nfs/dbraw/zinc/05/21/42/268052142.db2.gz CSJKNSWWNXNMBO-LBPRGKRZSA-N 1 2 274.368 1.892 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1nncn1C ZINC000275127353 277845359 /nfs/dbraw/zinc/84/53/59/277845359.db2.gz BFNKOJOSOLROPC-VXGBXAGGSA-N 1 2 277.372 1.055 20 30 CDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cccc(F)c1C#N ZINC000286437643 288718943 /nfs/dbraw/zinc/71/89/43/288718943.db2.gz SIVGGNKBZOMQJC-OLZOCXBDSA-N 1 2 289.354 1.997 20 30 CDEDLO Cn1c[nH+]cc1CN1CCN(c2cnccc2C#N)CC1 ZINC000574980634 295083406 /nfs/dbraw/zinc/08/34/06/295083406.db2.gz UXTIZDKEDGMNNT-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO CN(C)c1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(F)c1 ZINC000563220477 327979594 /nfs/dbraw/zinc/97/95/94/327979594.db2.gz OUCRKAMHJCWHJM-OAHLLOKOSA-N 1 2 292.358 1.465 20 30 CDEDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000563219879 327980085 /nfs/dbraw/zinc/98/00/85/327980085.db2.gz AOLHCVSDECAJOA-CQSZACIVSA-N 1 2 290.323 1.477 20 30 CDEDLO N#Cc1c2c(cnc1N1CC(n3cc[nH+]c3)C1)CCC2 ZINC000576510204 317151739 /nfs/dbraw/zinc/15/17/39/317151739.db2.gz QNAHDXVZDFZZPM-UHFFFAOYSA-N 1 2 265.320 1.700 20 30 CDEDLO C[C@H](O[NH+]=C(N)[C@@H]1CCCO1)c1nc(C2CC2)no1 ZINC000284445988 328245994 /nfs/dbraw/zinc/24/59/94/328245994.db2.gz PQRXAPUXILJJRM-CBAPKCEASA-N 1 2 266.301 1.476 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCC[N@@H+]1CCO[C@H](C)C1)OCC ZINC000535125153 328388891 /nfs/dbraw/zinc/38/88/91/328388891.db2.gz LOPCYIBKAXTKFI-KGLIPLIRSA-N 1 2 284.400 1.195 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCC[N@H+]1CCO[C@H](C)C1)OCC ZINC000535125153 328388892 /nfs/dbraw/zinc/38/88/92/328388892.db2.gz LOPCYIBKAXTKFI-KGLIPLIRSA-N 1 2 284.400 1.195 20 30 CDEDLO CCNC(=O)c1cccc(C[NH2+]C[C@H](C#N)CCC#N)c1 ZINC000571669402 328511468 /nfs/dbraw/zinc/51/14/68/328511468.db2.gz KVSKVEQMGCAQHW-AWEZNQCLSA-N 1 2 284.363 1.969 20 30 CDEDLO CNC(=O)c1cccc(C[NH2+]C[C@H](C#N)CCC#N)c1 ZINC000558506935 327099618 /nfs/dbraw/zinc/09/96/18/327099618.db2.gz ZBTQRAILDFVIKJ-ZDUSSCGKSA-N 1 2 270.336 1.579 20 30 CDEDLO CC(=O)c1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)o1 ZINC000558938641 327133456 /nfs/dbraw/zinc/13/34/56/327133456.db2.gz SYCDVFGALNAMNM-UHFFFAOYSA-N 1 2 275.308 1.200 20 30 CDEDLO C=C[C@H]1CCCCN1c1cc(NC[C@H](C)O)[nH+]cn1 ZINC000518337128 327154891 /nfs/dbraw/zinc/15/48/91/327154891.db2.gz ATQNIXVTJSAMKS-RYUDHWBXSA-N 1 2 262.357 1.814 20 30 CDEDLO C=C[C@H]1CCCCN1c1cc(NC[C@H](C)O)nc[nH+]1 ZINC000518337128 327154893 /nfs/dbraw/zinc/15/48/93/327154893.db2.gz ATQNIXVTJSAMKS-RYUDHWBXSA-N 1 2 262.357 1.814 20 30 CDEDLO CCc1nc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)cs1 ZINC000562323105 327470253 /nfs/dbraw/zinc/47/02/53/327470253.db2.gz PIAIIBIWHVDYBM-CYBMUJFWSA-N 1 2 280.397 1.208 20 30 CDEDLO N#CC1(C[NH2+]Cc2cnc(N3CCCC3)nc2)CC1 ZINC000570146183 327572176 /nfs/dbraw/zinc/57/21/76/327572176.db2.gz ABGZCHDHZARIPP-UHFFFAOYSA-N 1 2 257.341 1.470 20 30 CDEDLO C#CCCS(=O)(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000377399310 329014170 /nfs/dbraw/zinc/01/41/70/329014170.db2.gz NPNWEBYTEMFUBD-OLZOCXBDSA-N 1 2 281.381 1.119 20 30 CDEDLO C#C[C@H](C)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000378489661 329052438 /nfs/dbraw/zinc/05/24/38/329052438.db2.gz PXJZMLZIIATUDK-WCQYABFASA-N 1 2 259.309 1.266 20 30 CDEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)C(C)(C)C#N)CC1 ZINC000194173480 329066777 /nfs/dbraw/zinc/06/67/77/329066777.db2.gz CLFOAYPNBHWONB-UHFFFAOYSA-N 1 2 290.367 1.485 20 30 CDEDLO C=CCCCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000176006355 329173190 /nfs/dbraw/zinc/17/31/90/329173190.db2.gz MGRUJDZNQYWOPY-CQSZACIVSA-N 1 2 266.385 1.666 20 30 CDEDLO Cc1cc(CNS(=O)(=O)N(C)C[C@@H](C)C#N)cc(C)[nH+]1 ZINC000420697884 329781865 /nfs/dbraw/zinc/78/18/65/329781865.db2.gz JVNXCKSXJCUKHN-JTQLQIEISA-N 1 2 296.396 1.124 20 30 CDEDLO CC#CC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000278008362 330118840 /nfs/dbraw/zinc/11/88/40/330118840.db2.gz DSNNVKDYIONXMB-GFCCVEGCSA-N 1 2 262.378 1.977 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cccc(OC)n2)nn1 ZINC000424166242 330309299 /nfs/dbraw/zinc/30/92/99/330309299.db2.gz AAXUVCJGQREILB-UHFFFAOYSA-N 1 2 259.313 1.158 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000131555127 330396226 /nfs/dbraw/zinc/39/62/26/330396226.db2.gz ROGYYRQYAKAMSU-UHFFFAOYSA-N 1 2 290.388 1.005 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1nc(CC(=O)OCC)cs1 ZINC000121242239 330398530 /nfs/dbraw/zinc/39/85/30/330398530.db2.gz XOZQJTJCNACBBQ-UHFFFAOYSA-N 1 2 297.380 1.305 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1nc(CC(=O)OCC)cs1 ZINC000121242239 330398531 /nfs/dbraw/zinc/39/85/31/330398531.db2.gz XOZQJTJCNACBBQ-UHFFFAOYSA-N 1 2 297.380 1.305 20 30 CDEDLO C=CC(C)(C)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000451493381 331031454 /nfs/dbraw/zinc/03/14/54/331031454.db2.gz GVXXXQYEWHMYRY-GFCCVEGCSA-N 1 2 254.374 1.378 20 30 CDEDLO CCN(CCC#N)S(=O)(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000451926656 331047467 /nfs/dbraw/zinc/04/74/67/331047467.db2.gz ITWVYCYJMDCYHQ-NSHDSACASA-N 1 2 299.400 1.034 20 30 CDEDLO C=C(C)CCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000454173419 331140769 /nfs/dbraw/zinc/14/07/69/331140769.db2.gz OXSYNXDVOMPPDX-UHFFFAOYSA-N 1 2 269.389 1.363 20 30 CDEDLO C=C(CC)CNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000455523151 331171867 /nfs/dbraw/zinc/17/18/67/331171867.db2.gz NKGZUJGHHRPNDO-UHFFFAOYSA-N 1 2 250.346 1.881 20 30 CDEDLO C=CC(C)(C)CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458992100 331264785 /nfs/dbraw/zinc/26/47/85/331264785.db2.gz VEXXIXKQYZYZTQ-BETUJISGSA-N 1 2 281.400 1.361 20 30 CDEDLO C=CC(C)(C)CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458992100 331264786 /nfs/dbraw/zinc/26/47/86/331264786.db2.gz VEXXIXKQYZYZTQ-BETUJISGSA-N 1 2 281.400 1.361 20 30 CDEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1ccn(C)n1 ZINC000459799285 331301584 /nfs/dbraw/zinc/30/15/84/331301584.db2.gz VJIAXNQSVMOMMG-GFCCVEGCSA-N 1 2 262.357 1.271 20 30 CDEDLO C#CCN(CC)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000490712112 332107054 /nfs/dbraw/zinc/10/70/54/332107054.db2.gz DADFRDPDFUKADD-UHFFFAOYSA-N 1 2 262.357 1.704 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2cc(F)cc(F)c2)CC1 ZINC000490759295 332112516 /nfs/dbraw/zinc/11/25/16/332112516.db2.gz BPOYSIANDDXSEB-UHFFFAOYSA-N 1 2 294.301 1.121 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000490865676 332121643 /nfs/dbraw/zinc/12/16/43/332121643.db2.gz GBLWNXNUDROMPZ-UHFFFAOYSA-N 1 2 275.308 1.797 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000490865676 332121644 /nfs/dbraw/zinc/12/16/44/332121644.db2.gz GBLWNXNUDROMPZ-UHFFFAOYSA-N 1 2 275.308 1.797 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2nc(C)ccc2O)n1 ZINC000491288291 332182166 /nfs/dbraw/zinc/18/21/66/332182166.db2.gz QNNWWJUZAMMMCW-UHFFFAOYSA-N 1 2 284.363 1.947 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2nc(C)ccc2O)n1 ZINC000491288291 332182168 /nfs/dbraw/zinc/18/21/68/332182168.db2.gz QNNWWJUZAMMMCW-UHFFFAOYSA-N 1 2 284.363 1.947 20 30 CDEDLO C#CC[NH+](CC#C)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000491327820 332191399 /nfs/dbraw/zinc/19/13/99/332191399.db2.gz YAZBZGWSRKJNJI-NSHDSACASA-N 1 2 272.270 1.108 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000491360579 332196540 /nfs/dbraw/zinc/19/65/40/332196540.db2.gz GPNNFZKUFAYRFK-JSGCOSHPSA-N 1 2 285.347 1.061 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000491360579 332196541 /nfs/dbraw/zinc/19/65/41/332196541.db2.gz GPNNFZKUFAYRFK-JSGCOSHPSA-N 1 2 285.347 1.061 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccsc1C(=O)OC ZINC000491372086 332198971 /nfs/dbraw/zinc/19/89/71/332198971.db2.gz HQRIZDSQJUKGKB-SECBINFHSA-N 1 2 280.349 1.427 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccsc1C(=O)OC ZINC000491372086 332198972 /nfs/dbraw/zinc/19/89/72/332198972.db2.gz HQRIZDSQJUKGKB-SECBINFHSA-N 1 2 280.349 1.427 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NCc1ccccc1C ZINC000491497419 332223829 /nfs/dbraw/zinc/22/38/29/332223829.db2.gz XZRIMBXTWNSFGA-HNNXBMFYSA-N 1 2 268.360 1.568 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCCCC(=O)OC(C)(C)C ZINC000491515924 332227548 /nfs/dbraw/zinc/22/75/48/332227548.db2.gz QDIXZKMBZPQDGJ-ZDUSSCGKSA-N 1 2 267.369 1.832 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCCCC(=O)OC(C)(C)C ZINC000491515924 332227549 /nfs/dbraw/zinc/22/75/49/332227549.db2.gz QDIXZKMBZPQDGJ-ZDUSSCGKSA-N 1 2 267.369 1.832 20 30 CDEDLO C#CC[N@@H+](Cc1nc(=O)n(C)[nH]1)[C@H]1CCc2ccccc21 ZINC000491524112 332229435 /nfs/dbraw/zinc/22/94/35/332229435.db2.gz JFLPISLLMZMDFM-AWEZNQCLSA-N 1 2 282.347 1.231 20 30 CDEDLO C#CC[N@H+](Cc1nc(=O)n(C)[nH]1)[C@H]1CCc2ccccc21 ZINC000491524112 332229436 /nfs/dbraw/zinc/22/94/36/332229436.db2.gz JFLPISLLMZMDFM-AWEZNQCLSA-N 1 2 282.347 1.231 20 30 CDEDLO C#C[C@@H](CC)NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000491636544 332257509 /nfs/dbraw/zinc/25/75/09/332257509.db2.gz SYQROSARWVUKBU-NEPJUHHUSA-N 1 2 260.341 1.331 20 30 CDEDLO C#C[C@@H](NC(=O)Cc1c[nH+]cn1C)c1ccc(F)cc1 ZINC000491666478 332274856 /nfs/dbraw/zinc/27/48/56/332274856.db2.gz QGIQSBNKBLBDIC-CQSZACIVSA-N 1 2 271.295 1.592 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(C(=O)NCC)c1 ZINC000491672279 332278937 /nfs/dbraw/zinc/27/89/37/332278937.db2.gz RPBHKNWZMYEJNP-GFCCVEGCSA-N 1 2 287.363 1.328 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(C(=O)NCC)c1 ZINC000491672279 332278938 /nfs/dbraw/zinc/27/89/38/332278938.db2.gz RPBHKNWZMYEJNP-GFCCVEGCSA-N 1 2 287.363 1.328 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)N(C)C2CCCCC2)CC1 ZINC000491701266 332295827 /nfs/dbraw/zinc/29/58/27/332295827.db2.gz WHQXBGDBQUNCHD-UHFFFAOYSA-N 1 2 263.385 1.622 20 30 CDEDLO C#C[C@@H]1COCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000491714656 332304951 /nfs/dbraw/zinc/30/49/51/332304951.db2.gz HAIDMXXEUIQEJP-CYBMUJFWSA-N 1 2 269.304 1.117 20 30 CDEDLO C#C[C@H](CCC)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000491745829 332323548 /nfs/dbraw/zinc/32/35/48/332323548.db2.gz YZLDYNAWWFBIDK-VXGBXAGGSA-N 1 2 260.341 1.299 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Nc2nc(C)c(C)o2)CC1 ZINC000491761400 332331843 /nfs/dbraw/zinc/33/18/43/332331843.db2.gz VRXJUVBKZMXOJP-UHFFFAOYSA-N 1 2 262.313 1.074 20 30 CDEDLO C#CC[N@@H+](CC(=O)N1CCO[C@H]2CCCC[C@H]21)C1CC1 ZINC000491765474 332333976 /nfs/dbraw/zinc/33/39/76/332333976.db2.gz CCAVDENPLSLLGQ-CABCVRRESA-N 1 2 276.380 1.254 20 30 CDEDLO C#CC[N@H+](CC(=O)N1CCO[C@H]2CCCC[C@H]21)C1CC1 ZINC000491765474 332333977 /nfs/dbraw/zinc/33/39/77/332333977.db2.gz CCAVDENPLSLLGQ-CABCVRRESA-N 1 2 276.380 1.254 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(-c2cc(OC)ncn2)no1 ZINC000491775504 332341175 /nfs/dbraw/zinc/34/11/75/332341175.db2.gz YEYDMPFLLUHORM-UHFFFAOYSA-N 1 2 287.323 1.379 20 30 CDEDLO C#CC(C)(C)[N@H+](C)Cc1nc(-c2cc(OC)ncn2)no1 ZINC000491775504 332341176 /nfs/dbraw/zinc/34/11/76/332341176.db2.gz YEYDMPFLLUHORM-UHFFFAOYSA-N 1 2 287.323 1.379 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(C(=O)OC)ccc1C ZINC000491780018 332344638 /nfs/dbraw/zinc/34/46/38/332344638.db2.gz KGJNATXQVYWYMX-GFCCVEGCSA-N 1 2 288.347 1.674 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cc(C(=O)OC)ccc1C ZINC000491780018 332344640 /nfs/dbraw/zinc/34/46/40/332344640.db2.gz KGJNATXQVYWYMX-GFCCVEGCSA-N 1 2 288.347 1.674 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)C1CC1 ZINC000491810408 332363114 /nfs/dbraw/zinc/36/31/14/332363114.db2.gz IFFJBFPJNCRVNR-UHFFFAOYSA-N 1 2 298.433 1.596 20 30 CDEDLO C#CC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)C1CC1 ZINC000491810408 332363115 /nfs/dbraw/zinc/36/31/15/332363115.db2.gz IFFJBFPJNCRVNR-UHFFFAOYSA-N 1 2 298.433 1.596 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1ccc(Cl)nc1 ZINC000493056936 332424586 /nfs/dbraw/zinc/42/45/86/332424586.db2.gz UOYDHBPFENQSSC-VSKVDJIOSA-N 1 2 292.770 1.708 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000494727461 332484554 /nfs/dbraw/zinc/48/45/54/332484554.db2.gz INSKLSNCTUTRRQ-ZIAGYGMSSA-N 1 2 281.400 1.457 20 30 CDEDLO C[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H](CO)O1 ZINC000190114458 333203306 /nfs/dbraw/zinc/20/33/06/333203306.db2.gz UHXOWUBPHVYMDI-SWLSCSKDSA-N 1 2 279.767 1.773 20 30 CDEDLO C[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H](CO)O1 ZINC000190114458 333203307 /nfs/dbraw/zinc/20/33/07/333203307.db2.gz UHXOWUBPHVYMDI-SWLSCSKDSA-N 1 2 279.767 1.773 20 30 CDEDLO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]CCC#N)cc1 ZINC000552493977 334331788 /nfs/dbraw/zinc/33/17/88/334331788.db2.gz RETDWPRNCKYYAE-UHFFFAOYSA-N 1 2 295.408 1.719 20 30 CDEDLO Cc1ccc(C)c(OCC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000555482601 334479628 /nfs/dbraw/zinc/47/96/28/334479628.db2.gz GUCHIXQHWNIAJO-INIZCTEOSA-N 1 2 289.379 1.642 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+][C@H]1CC(=O)N(c2ccccc2)C1 ZINC000577134507 335306537 /nfs/dbraw/zinc/30/65/37/335306537.db2.gz VWGGLDKXYWCWEH-KGLIPLIRSA-N 1 2 282.347 1.825 20 30 CDEDLO COc1cccc(C[NH+]2CCN(C(=O)CC#N)CC2)c1 ZINC000577765498 335399155 /nfs/dbraw/zinc/39/91/55/335399155.db2.gz BZOWPSVMYGVLBA-UHFFFAOYSA-N 1 2 273.336 1.253 20 30 CDEDLO C=CCCN(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000682417304 483221160 /nfs/dbraw/zinc/22/11/60/483221160.db2.gz TVPJVVKLNXPVRU-UHFFFAOYSA-N 1 2 250.346 1.881 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1cnnn1-c1ccccc1 ZINC000676618092 483540107 /nfs/dbraw/zinc/54/01/07/483540107.db2.gz OIQKLVYAXZYBCY-UHFFFAOYSA-N 1 2 272.352 1.902 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1cnnn1-c1ccccc1 ZINC000676618092 483540110 /nfs/dbraw/zinc/54/01/10/483540110.db2.gz OIQKLVYAXZYBCY-UHFFFAOYSA-N 1 2 272.352 1.902 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668159262 483589083 /nfs/dbraw/zinc/58/90/83/483589083.db2.gz PBCOXTBEYKJQIQ-GFCCVEGCSA-N 1 2 288.351 1.949 20 30 CDEDLO COc1ccccc1C[NH+]1CCN(C(=O)[C@H](C)C#N)CC1 ZINC000347119298 534081781 /nfs/dbraw/zinc/08/17/81/534081781.db2.gz WPYIZELNOURAGM-CYBMUJFWSA-N 1 2 287.363 1.499 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2(COCC)CC2)CC1 ZINC001113027513 1162078060 /nfs/dbraw/zinc/07/80/60/1162078060.db2.gz NIYLLWWXUNZSMB-UHFFFAOYSA-N 1 2 252.358 1.133 20 30 CDEDLO C[C@@H](F)CC[N@H+](CCC#N)CCN1CCOCC1 ZINC000352013290 534275279 /nfs/dbraw/zinc/27/52/79/534275279.db2.gz IKBHMGGGKBCBSV-CYBMUJFWSA-N 1 2 257.353 1.282 20 30 CDEDLO C[C@@H](F)CC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000352013290 534275281 /nfs/dbraw/zinc/27/52/81/534275281.db2.gz IKBHMGGGKBCBSV-CYBMUJFWSA-N 1 2 257.353 1.282 20 30 CDEDLO C[C@@H](F)CCN(CCC#N)CC[NH+]1CCOCC1 ZINC000352013290 534275284 /nfs/dbraw/zinc/27/52/84/534275284.db2.gz IKBHMGGGKBCBSV-CYBMUJFWSA-N 1 2 257.353 1.282 20 30 CDEDLO N#CCc1ccc[nH+]c1NC1CN(c2ncccn2)C1 ZINC001170122786 1162117119 /nfs/dbraw/zinc/11/71/19/1162117119.db2.gz FGDSWAGVGLRGRM-UHFFFAOYSA-N 1 2 266.308 1.238 20 30 CDEDLO CC(=O)Nc1ccccc1C=NNc1[nH+]ccn1C ZINC000790303555 1162143632 /nfs/dbraw/zinc/14/36/32/1162143632.db2.gz VBBQZJKCCYNQSD-UHFFFAOYSA-N 1 2 257.297 1.825 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](CCC(C)C)NC(C)=O)CC1 ZINC001113745027 1162272573 /nfs/dbraw/zinc/27/25/73/1162272573.db2.gz UJYZATGHXDXVAK-OAHLLOKOSA-N 1 2 295.427 1.258 20 30 CDEDLO O=C(NCC[NH+]1CCOCC1)[C@H]1CCc2cccnc21 ZINC000329277818 534752959 /nfs/dbraw/zinc/75/29/59/534752959.db2.gz JLZAOFJJDVVQLY-ZDUSSCGKSA-N 1 2 275.352 1.400 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1CCCC[C@H]1O ZINC000330284525 534763077 /nfs/dbraw/zinc/76/30/77/534763077.db2.gz XPBNWCHSRUOCDD-IJLUTSLNSA-N 1 2 278.356 1.005 20 30 CDEDLO [O-]C(N[C@@H]1CCCC[C@H]1O)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330284525 534763082 /nfs/dbraw/zinc/76/30/82/534763082.db2.gz XPBNWCHSRUOCDD-IJLUTSLNSA-N 1 2 278.356 1.005 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NCC2(C)CC2)CCO1 ZINC000330335270 534814341 /nfs/dbraw/zinc/81/43/41/534814341.db2.gz RLDSSRBGICXKQR-YPMHNXCESA-N 1 2 292.383 1.944 20 30 CDEDLO N#Cc1cccc(-n2ccc(C(=O)NCc3[nH]cc[nH+]3)n2)c1 ZINC000336996477 526694924 /nfs/dbraw/zinc/69/49/24/526694924.db2.gz OJQMYFVEJJNLSS-UHFFFAOYSA-N 1 2 292.302 1.397 20 30 CDEDLO N#Cc1ccncc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000340863389 526764089 /nfs/dbraw/zinc/76/40/89/526764089.db2.gz PHVKDFCZFZOXOX-UHFFFAOYSA-N 1 2 293.330 1.311 20 30 CDEDLO C#C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)C(C)C ZINC000366984392 527394497 /nfs/dbraw/zinc/39/44/97/527394497.db2.gz UWZKWVOAHODUHO-AWEZNQCLSA-N 1 2 297.362 1.724 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000347954848 527399656 /nfs/dbraw/zinc/39/96/56/527399656.db2.gz KPRUWTHAUQTHCR-MNOVXSKESA-N 1 2 251.330 1.958 20 30 CDEDLO CC(C)[C@H](C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000353729592 528932125 /nfs/dbraw/zinc/93/21/25/528932125.db2.gz MKVKJOVHEAMMRW-AWEZNQCLSA-N 1 2 281.400 1.353 20 30 CDEDLO C=C[C@](C)(O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000668781959 538810409 /nfs/dbraw/zinc/81/04/09/538810409.db2.gz KFYXOHAPSKOWOC-BBRMVZONSA-N 1 2 289.379 1.224 20 30 CDEDLO CS(=O)(=O)c1ccccc1N=NC1C[NH+]2CCC1CC2 ZINC000731933728 575072881 /nfs/dbraw/zinc/07/28/81/575072881.db2.gz QREMDHFHAMTFIC-UHFFFAOYSA-N 1 2 293.392 1.584 20 30 CDEDLO N#Cc1ccccc1/C=C/C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000733983613 575152071 /nfs/dbraw/zinc/15/20/71/575152071.db2.gz NSVIGDKEVVCCSB-AATRIKPKSA-N 1 2 278.315 1.851 20 30 CDEDLO COc1c(O)c(C[N@H+](C)C[C@H](C)C#N)ccc1[N+](=O)[O-] ZINC000774839879 575245426 /nfs/dbraw/zinc/24/54/26/575245426.db2.gz FWUKNNDSONCYOQ-SECBINFHSA-N 1 2 279.296 1.900 20 30 CDEDLO COc1c(O)c(C[N@@H+](C)C[C@H](C)C#N)ccc1[N+](=O)[O-] ZINC000774839879 575245429 /nfs/dbraw/zinc/24/54/29/575245429.db2.gz FWUKNNDSONCYOQ-SECBINFHSA-N 1 2 279.296 1.900 20 30 CDEDLO Oc1ccccc1/C=[NH+]\Cc1nnnn1CC1CC1 ZINC000769718860 575377888 /nfs/dbraw/zinc/37/78/88/575377888.db2.gz VBSPMTAWWVZPEU-AUWJEWJLSA-N 1 2 257.297 1.408 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccccc2)CC1 ZINC000735940404 575533695 /nfs/dbraw/zinc/53/36/95/575533695.db2.gz PRRXDHWNHRYGOX-UHFFFAOYSA-N 1 2 285.343 1.758 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)CCOc1cccc(-c2nn[nH]n2)c1 ZINC000735963321 575540480 /nfs/dbraw/zinc/54/04/80/575540480.db2.gz DIKNDWQQXFATJW-NSHDSACASA-N 1 2 286.339 1.479 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1cccc(-c2nn[nH]n2)c1 ZINC000735963321 575540482 /nfs/dbraw/zinc/54/04/82/575540482.db2.gz DIKNDWQQXFATJW-NSHDSACASA-N 1 2 286.339 1.479 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2c[nH]c(-c3ccccc3)n2)CC1 ZINC000736091635 575568905 /nfs/dbraw/zinc/56/89/05/575568905.db2.gz ICBSQULINWEIOZ-UHFFFAOYSA-N 1 2 294.358 1.468 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2c(C)noc2CC)CC1 ZINC000772666662 575734005 /nfs/dbraw/zinc/73/40/05/575734005.db2.gz JVLVJILXGIYIHU-UHFFFAOYSA-N 1 2 275.352 1.327 20 30 CDEDLO C#CCOc1ccc([C@H](C)[NH2+]Cc2nnnn2C2CC2)cc1 ZINC000773029401 575775552 /nfs/dbraw/zinc/77/55/52/575775552.db2.gz FOJOGPCVKPTZMD-LBPRGKRZSA-N 1 2 297.362 1.871 20 30 CDEDLO C=C(C)CS(=O)(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000773346615 575803202 /nfs/dbraw/zinc/80/32/02/575803202.db2.gz ITLCXJMDDQGJDQ-UHFFFAOYSA-N 1 2 284.381 1.703 20 30 CDEDLO Cc1cccn2cc(CC(=O)NC3=NO[C@@H](C)C3)[nH+]c12 ZINC000765377627 576012924 /nfs/dbraw/zinc/01/29/24/576012924.db2.gz TUCNHHJUFZKNQT-JTQLQIEISA-N 1 2 272.308 1.424 20 30 CDEDLO Cn1cc(C[N@H+](C)Cn2cc3c(c(C#N)c2=O)CCC3)cn1 ZINC000766611350 576115508 /nfs/dbraw/zinc/11/55/08/576115508.db2.gz DLEWNQXQVZWVAC-UHFFFAOYSA-N 1 2 297.362 1.032 20 30 CDEDLO Cn1cc(C[N@@H+](C)Cn2cc3c(c(C#N)c2=O)CCC3)cn1 ZINC000766611350 576115510 /nfs/dbraw/zinc/11/55/10/576115510.db2.gz DLEWNQXQVZWVAC-UHFFFAOYSA-N 1 2 297.362 1.032 20 30 CDEDLO CC[N@H+](CCOC)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766612620 576115699 /nfs/dbraw/zinc/11/56/99/576115699.db2.gz PNCSZYOBEQOFCP-UHFFFAOYSA-N 1 2 275.352 1.134 20 30 CDEDLO CC[N@@H+](CCOC)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766612620 576115702 /nfs/dbraw/zinc/11/57/02/576115702.db2.gz PNCSZYOBEQOFCP-UHFFFAOYSA-N 1 2 275.352 1.134 20 30 CDEDLO C#CCOc1ccc(C[N@H+](C)Cc2nnc3n2CCC3)cc1 ZINC000768224092 576265667 /nfs/dbraw/zinc/26/56/67/576265667.db2.gz RPYDNNXIGVEGOU-UHFFFAOYSA-N 1 2 296.374 1.868 20 30 CDEDLO C#CCOc1ccc(C[N@@H+](C)Cc2nnc3n2CCC3)cc1 ZINC000768224092 576265670 /nfs/dbraw/zinc/26/56/70/576265670.db2.gz RPYDNNXIGVEGOU-UHFFFAOYSA-N 1 2 296.374 1.868 20 30 CDEDLO CC(=NN1CC(=O)N(C)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000768381758 576277707 /nfs/dbraw/zinc/27/77/07/576277707.db2.gz GOCQAQSQUVGGGS-UHFFFAOYSA-N 1 2 297.318 1.490 20 30 CDEDLO C#CC[NH+]1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000760226398 576467774 /nfs/dbraw/zinc/46/77/74/576467774.db2.gz NGBYWDDDGUDNFM-UHFFFAOYSA-N 1 2 251.311 1.412 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1nccn1CC(F)(F)F ZINC000761113380 576550377 /nfs/dbraw/zinc/55/03/77/576550377.db2.gz HAFYJMLSRNKJDX-UHFFFAOYSA-N 1 2 275.274 1.527 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1nccn1CC(F)(F)F ZINC000761113380 576550378 /nfs/dbraw/zinc/55/03/78/576550378.db2.gz HAFYJMLSRNKJDX-UHFFFAOYSA-N 1 2 275.274 1.527 20 30 CDEDLO C#CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741386876 576554817 /nfs/dbraw/zinc/55/48/17/576554817.db2.gz WRGTVYMRRQECKZ-AWEZNQCLSA-N 1 2 259.305 1.064 20 30 CDEDLO C#CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741386876 576554819 /nfs/dbraw/zinc/55/48/19/576554819.db2.gz WRGTVYMRRQECKZ-AWEZNQCLSA-N 1 2 259.305 1.064 20 30 CDEDLO N#Cc1ccc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)cc1 ZINC000761837016 576596736 /nfs/dbraw/zinc/59/67/36/576596736.db2.gz QADXGJFLYAXXPF-UHFFFAOYSA-N 1 2 289.302 1.980 20 30 CDEDLO c1cn(-c2ccc(N=NCC[C@@H]3CCOC3)nn2)c[nH+]1 ZINC000761839822 576596742 /nfs/dbraw/zinc/59/67/42/576596742.db2.gz WCRRARCYXCTDBE-LLVKDONJSA-N 1 2 272.312 1.487 20 30 CDEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)c1cccnc1 ZINC000761837291 576596802 /nfs/dbraw/zinc/59/68/02/576596802.db2.gz VYUWRMHLZRAPAO-UHFFFAOYSA-N 1 2 279.307 1.893 20 30 CDEDLO CCc1nn(C)cc1CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761854832 576598280 /nfs/dbraw/zinc/59/82/80/576598280.db2.gz HDFANWMCVXRQCV-UHFFFAOYSA-N 1 2 296.338 1.404 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745079785 576712590 /nfs/dbraw/zinc/71/25/90/576712590.db2.gz PAVLYFLQGHXISL-KGLIPLIRSA-N 1 2 294.395 1.603 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745079785 576712591 /nfs/dbraw/zinc/71/25/91/576712591.db2.gz PAVLYFLQGHXISL-KGLIPLIRSA-N 1 2 294.395 1.603 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)C2(CCOCC)CCCC2)CC1 ZINC000763384984 576733794 /nfs/dbraw/zinc/73/37/94/576733794.db2.gz ACODLSFGWJVZFN-UHFFFAOYSA-N 1 2 292.423 1.751 20 30 CDEDLO N#CCn1c(C[N@@H+]2CCCOCC2)nc2ccccc2c1=O ZINC000746386639 576774076 /nfs/dbraw/zinc/77/40/76/576774076.db2.gz XNWHYWLGECQQNI-UHFFFAOYSA-N 1 2 298.346 1.142 20 30 CDEDLO N#CCn1c(C[N@H+]2CCCOCC2)nc2ccccc2c1=O ZINC000746386639 576774078 /nfs/dbraw/zinc/77/40/78/576774078.db2.gz XNWHYWLGECQQNI-UHFFFAOYSA-N 1 2 298.346 1.142 20 30 CDEDLO CC#CC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000764138227 576782024 /nfs/dbraw/zinc/78/20/24/576782024.db2.gz TZKWCWRYGOXQFZ-OAHLLOKOSA-N 1 2 272.348 1.199 20 30 CDEDLO COc1ncnc(N)c1C=[NH+][N-]c1[nH]c2ccccc2[nH+]1 ZINC000747626460 576877330 /nfs/dbraw/zinc/87/73/30/576877330.db2.gz YXRKYEOUIPPLMO-UHFFFAOYSA-N 1 2 283.295 1.390 20 30 CDEDLO CCCCCCCCNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000754848771 576918938 /nfs/dbraw/zinc/91/89/38/576918938.db2.gz CERAWNDRBVAPQW-AWEZNQCLSA-N 1 2 285.432 1.977 20 30 CDEDLO CCCCCCCCNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000754848771 576918940 /nfs/dbraw/zinc/91/89/40/576918940.db2.gz CERAWNDRBVAPQW-AWEZNQCLSA-N 1 2 285.432 1.977 20 30 CDEDLO Cc1cc(=O)[nH]c(NN=Cc2c[nH+]c3c(C)cccn23)n1 ZINC000755464131 576945897 /nfs/dbraw/zinc/94/58/97/576945897.db2.gz RBSDPRRPUCVXQU-UHFFFAOYSA-N 1 2 282.307 1.893 20 30 CDEDLO Cc1[nH]c[nH+]c1C=NN1C(=S)N=NC1C(C)C ZINC000755534143 576948968 /nfs/dbraw/zinc/94/89/68/576948968.db2.gz FLUPYBLHULNLFA-UHFFFAOYSA-N 1 2 250.331 1.604 20 30 CDEDLO CC[C@@]1(C)NC(=O)N(N=Cc2c[nH+]c3ccc(C)cn23)C1=O ZINC000755555184 576949463 /nfs/dbraw/zinc/94/94/63/576949463.db2.gz QMZBVFCFSDOIKO-OAHLLOKOSA-N 1 2 299.334 1.697 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CCc2cc(OCCC)ccc2C1 ZINC000749462777 576949539 /nfs/dbraw/zinc/94/95/39/576949539.db2.gz HUHGMAWAXDSDAM-UHFFFAOYSA-N 1 2 286.375 1.583 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CCc2cc(OCCC)ccc2C1 ZINC000749462777 576949541 /nfs/dbraw/zinc/94/95/41/576949541.db2.gz HUHGMAWAXDSDAM-UHFFFAOYSA-N 1 2 286.375 1.583 20 30 CDEDLO N#Cc1cccn(C[N@@H+]2CCc3sccc3C2)c1=O ZINC000750607839 576997100 /nfs/dbraw/zinc/99/71/00/576997100.db2.gz GDPKUMIKLGNRMD-UHFFFAOYSA-N 1 2 271.345 1.797 20 30 CDEDLO N#Cc1cccn(C[N@H+]2CCc3sccc3C2)c1=O ZINC000750607839 576997101 /nfs/dbraw/zinc/99/71/01/576997101.db2.gz GDPKUMIKLGNRMD-UHFFFAOYSA-N 1 2 271.345 1.797 20 30 CDEDLO COc1cccc(O)c1/C=N/CC[N@@H+]1CCO[C@H](C)C1 ZINC000750950444 577018500 /nfs/dbraw/zinc/01/85/00/577018500.db2.gz VPQINPPMEHVHPT-HMHNVIDESA-N 1 2 278.352 1.540 20 30 CDEDLO COc1cccc(O)c1/C=N/CC[N@H+]1CCO[C@H](C)C1 ZINC000750950444 577018501 /nfs/dbraw/zinc/01/85/01/577018501.db2.gz VPQINPPMEHVHPT-HMHNVIDESA-N 1 2 278.352 1.540 20 30 CDEDLO C[C@H]1C[N@H+](CC/N=C/c2cc([N+](=O)[O-])ccc2O)CCO1 ZINC000750949546 577018571 /nfs/dbraw/zinc/01/85/71/577018571.db2.gz GNCQOSJDSPQTIO-ZRRZQRFHSA-N 1 2 293.323 1.440 20 30 CDEDLO C[C@H]1C[N@@H+](CC/N=C/c2cc([N+](=O)[O-])ccc2O)CCO1 ZINC000750949546 577018573 /nfs/dbraw/zinc/01/85/73/577018573.db2.gz GNCQOSJDSPQTIO-ZRRZQRFHSA-N 1 2 293.323 1.440 20 30 CDEDLO C[C@]1(c2ccccn2)CC(=O)N(C[NH+]2CCC(C#N)CC2)C1 ZINC000758202596 577081218 /nfs/dbraw/zinc/08/12/18/577081218.db2.gz IOWOSRRNBXYFEU-KRWDZBQOSA-N 1 2 298.390 1.765 20 30 CDEDLO Cc1ccn(C[N@@H+]2CCOC3(CCCC3)C2)c(=O)c1C#N ZINC000758236683 577087625 /nfs/dbraw/zinc/08/76/25/577087625.db2.gz DTQYRMCHFZRZGO-UHFFFAOYSA-N 1 2 287.363 1.631 20 30 CDEDLO Cc1ccn(C[N@H+]2CCOC3(CCCC3)C2)c(=O)c1C#N ZINC000758236683 577087627 /nfs/dbraw/zinc/08/76/27/577087627.db2.gz DTQYRMCHFZRZGO-UHFFFAOYSA-N 1 2 287.363 1.631 20 30 CDEDLO C[N@H+](Cn1ccc(-c2ccc(C#N)cc2)n1)[C@@H]1CCNC1=O ZINC000758400011 577105295 /nfs/dbraw/zinc/10/52/95/577105295.db2.gz MCMAOHGUZGLSGQ-OAHLLOKOSA-N 1 2 295.346 1.200 20 30 CDEDLO C[N@@H+](Cn1ccc(-c2ccc(C#N)cc2)n1)[C@@H]1CCNC1=O ZINC000758400011 577105296 /nfs/dbraw/zinc/10/52/96/577105296.db2.gz MCMAOHGUZGLSGQ-OAHLLOKOSA-N 1 2 295.346 1.200 20 30 CDEDLO Cc1cc(=O)[nH]c(N[NH+]=Cc2ccc3c(c2)CCN3C)n1 ZINC000752713983 577120143 /nfs/dbraw/zinc/12/01/43/577120143.db2.gz XITRNPWTKGNHIT-UHFFFAOYSA-N 1 2 283.335 1.929 20 30 CDEDLO C#CCCCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000758627127 577122559 /nfs/dbraw/zinc/12/25/59/577122559.db2.gz ULPFYCMELUTNPC-UHFFFAOYSA-N 1 2 269.308 1.196 20 30 CDEDLO C#C[C@H](CC)NC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000753162040 577150284 /nfs/dbraw/zinc/15/02/84/577150284.db2.gz YXGOTIQQZGOTGN-CYBMUJFWSA-N 1 2 284.363 1.896 20 30 CDEDLO C#CC[N@@H+](C)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971571375 613092616 /nfs/dbraw/zinc/09/26/16/613092616.db2.gz WBTFLPMTVPXORO-IUCAKERBSA-N 1 2 266.238 1.053 20 30 CDEDLO C#CC[N@H+](C)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971571375 613092617 /nfs/dbraw/zinc/09/26/17/613092617.db2.gz WBTFLPMTVPXORO-IUCAKERBSA-N 1 2 266.238 1.053 20 30 CDEDLO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000971571375 613092619 /nfs/dbraw/zinc/09/26/19/613092619.db2.gz WBTFLPMTVPXORO-IUCAKERBSA-N 1 2 266.238 1.053 20 30 CDEDLO C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000971571375 613092620 /nfs/dbraw/zinc/09/26/20/613092620.db2.gz WBTFLPMTVPXORO-IUCAKERBSA-N 1 2 266.238 1.053 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2occ3c2CCOC3)CC1 ZINC000981692308 613160276 /nfs/dbraw/zinc/16/02/76/613160276.db2.gz WWIOEQHUQCJEAF-UHFFFAOYSA-N 1 2 288.347 1.133 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2occ3c2CCOC3)CC1 ZINC000981692308 613160277 /nfs/dbraw/zinc/16/02/77/613160277.db2.gz WWIOEQHUQCJEAF-UHFFFAOYSA-N 1 2 288.347 1.133 20 30 CDEDLO C#Cc1ccc(C(=O)N(CC)C2C[NH+](CCOC)C2)cc1 ZINC000951114535 613166927 /nfs/dbraw/zinc/16/69/27/613166927.db2.gz WKMRVHGEAMQSPS-UHFFFAOYSA-N 1 2 286.375 1.461 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(CC)CC)C2)C1 ZINC000972272723 613211711 /nfs/dbraw/zinc/21/17/11/613211711.db2.gz MEKGXKAIIWHGQM-MRXNPFEDSA-N 1 2 278.396 1.359 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(CC)CC)C2)C1 ZINC000972272723 613211712 /nfs/dbraw/zinc/21/17/12/613211712.db2.gz MEKGXKAIIWHGQM-MRXNPFEDSA-N 1 2 278.396 1.359 20 30 CDEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCF)CC[C@H]2C)c1 ZINC000968317010 613220553 /nfs/dbraw/zinc/22/05/53/613220553.db2.gz HUXULLGIOCECRX-IUODEOHRSA-N 1 2 289.354 1.473 20 30 CDEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCF)CC[C@H]2C)c1 ZINC000968317010 613220555 /nfs/dbraw/zinc/22/05/55/613220555.db2.gz HUXULLGIOCECRX-IUODEOHRSA-N 1 2 289.354 1.473 20 30 CDEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC000948955189 613279805 /nfs/dbraw/zinc/27/98/05/613279805.db2.gz UBSOHEHUPIQXMQ-JQFCIGGWSA-N 1 2 282.387 1.991 20 30 CDEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC000948955189 613279806 /nfs/dbraw/zinc/27/98/06/613279806.db2.gz UBSOHEHUPIQXMQ-JQFCIGGWSA-N 1 2 282.387 1.991 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(OC)ccn2)CC1 ZINC000949602859 613320573 /nfs/dbraw/zinc/32/05/73/613320573.db2.gz RGDWWXDEHHZKDG-UHFFFAOYSA-N 1 2 275.352 1.424 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ncccc2F)CC1 ZINC000952397457 613322366 /nfs/dbraw/zinc/32/23/66/613322366.db2.gz PTNYCGCCQFYXJH-UHFFFAOYSA-N 1 2 263.316 1.555 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccns2)C1 ZINC000969781227 613371697 /nfs/dbraw/zinc/37/16/97/613371697.db2.gz DKJOBBXDQWZXEC-SECBINFHSA-N 1 2 285.800 1.946 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2[nH]nnc2C)C(C)(C)C1 ZINC000974929497 613379976 /nfs/dbraw/zinc/37/99/76/613379976.db2.gz KCUSHSLLKYBSFR-SNVBAGLBSA-N 1 2 297.790 1.306 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2[nH]nnc2C)C(C)(C)C1 ZINC000974929497 613379977 /nfs/dbraw/zinc/37/99/77/613379977.db2.gz KCUSHSLLKYBSFR-SNVBAGLBSA-N 1 2 297.790 1.306 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2ccc(C)s2)CC1 ZINC000957771803 613563231 /nfs/dbraw/zinc/56/32/31/613563231.db2.gz NLRVMOIOFPQZTR-UHFFFAOYSA-N 1 2 276.405 1.767 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2ccsc2C)CC1 ZINC000951215368 613564013 /nfs/dbraw/zinc/56/40/13/613564013.db2.gz ZAJDZPWZUHGZSP-UHFFFAOYSA-N 1 2 276.405 1.767 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](F)C(C)C)C2)C1 ZINC000972501102 613570505 /nfs/dbraw/zinc/57/05/05/613570505.db2.gz AJZWCTKYGKGIFL-ZBFHGGJFSA-N 1 2 296.386 1.307 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](F)C(C)C)C2)C1 ZINC000972501102 613570507 /nfs/dbraw/zinc/57/05/07/613570507.db2.gz AJZWCTKYGKGIFL-ZBFHGGJFSA-N 1 2 296.386 1.307 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cncs2)C1 ZINC000965419480 613576111 /nfs/dbraw/zinc/57/61/11/613576111.db2.gz PWKWUWWTTAVXCR-VXGBXAGGSA-N 1 2 277.393 1.607 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cncs2)C1 ZINC000965419480 613576113 /nfs/dbraw/zinc/57/61/13/613576113.db2.gz PWKWUWWTTAVXCR-VXGBXAGGSA-N 1 2 277.393 1.607 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@@H]2C(C)C)C1 ZINC000957059125 613654053 /nfs/dbraw/zinc/65/40/53/613654053.db2.gz NFYGBGNOQSKRQY-ZIAGYGMSSA-N 1 2 250.386 1.997 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@@H](F)C2)C1 ZINC000951387711 613654161 /nfs/dbraw/zinc/65/41/61/613654161.db2.gz WEPOAKFMZRGURY-VXGBXAGGSA-N 1 2 254.349 1.843 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2CCOC[C@H]2OCC)CC1 ZINC000949354396 613708807 /nfs/dbraw/zinc/70/88/07/613708807.db2.gz YODAWMGVZYAGJJ-LSDHHAIUSA-N 1 2 296.411 1.148 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](OC)C2CCCC2)CC1 ZINC000957484677 613712600 /nfs/dbraw/zinc/71/26/00/613712600.db2.gz AJRZAJPRIZTXGE-CQSZACIVSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](OC)c2ccc(F)cc2)CC1 ZINC000957861577 613712990 /nfs/dbraw/zinc/71/29/90/613712990.db2.gz QGDVWYZIRNBPBB-OAHLLOKOSA-N 1 2 292.354 1.843 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2c3c[nH]nc3CC[C@H]2C)CC1 ZINC000949364026 613714057 /nfs/dbraw/zinc/71/40/57/613714057.db2.gz ZKAOHWWJASLXBQ-IUODEOHRSA-N 1 2 288.395 1.406 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)C3CC3)C2)C1 ZINC000972695820 613725624 /nfs/dbraw/zinc/72/56/24/613725624.db2.gz UULLVMQUYFWQRU-WMLDXEAASA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)C3CC3)C2)C1 ZINC000972695820 613725626 /nfs/dbraw/zinc/72/56/26/613725626.db2.gz UULLVMQUYFWQRU-WMLDXEAASA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](F)CC)C2)C1 ZINC000972501517 613726720 /nfs/dbraw/zinc/72/67/20/613726720.db2.gz FCSWNTVWEUIVIP-GXTWGEPZSA-N 1 2 270.348 1.224 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](F)CC)C2)C1 ZINC000972501517 613726721 /nfs/dbraw/zinc/72/67/21/613726721.db2.gz FCSWNTVWEUIVIP-GXTWGEPZSA-N 1 2 270.348 1.224 20 30 CDEDLO C=CC[N@@H+]1C[C@H](NC(=O)c2ccc3[nH]nnc3c2)C(C)(C)C1 ZINC000977570760 613829244 /nfs/dbraw/zinc/82/92/44/613829244.db2.gz LHWNCKUMXJFPPK-AWEZNQCLSA-N 1 2 299.378 1.584 20 30 CDEDLO C=CC[N@H+]1C[C@H](NC(=O)c2ccc3[nH]nnc3c2)C(C)(C)C1 ZINC000977570760 613829246 /nfs/dbraw/zinc/82/92/46/613829246.db2.gz LHWNCKUMXJFPPK-AWEZNQCLSA-N 1 2 299.378 1.584 20 30 CDEDLO C=CC[N@H+]1C[C@H](NC(=O)c2[nH]nc(C)c2C)C(C)(C)C1 ZINC000972863405 613829918 /nfs/dbraw/zinc/82/99/18/613829918.db2.gz GMGYDPOKCKTGLC-LBPRGKRZSA-N 1 2 276.384 1.653 20 30 CDEDLO C=CC[N@@H+]1C[C@H](NC(=O)c2[nH]nc(C)c2C)C(C)(C)C1 ZINC000972863405 613829919 /nfs/dbraw/zinc/82/99/19/613829919.db2.gz GMGYDPOKCKTGLC-LBPRGKRZSA-N 1 2 276.384 1.653 20 30 CDEDLO CC(=O)N[C@@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969169509 613955516 /nfs/dbraw/zinc/95/55/16/613955516.db2.gz AHUJULDQUMZSAB-JTQLQIEISA-N 1 2 275.327 1.654 20 30 CDEDLO CC(C)c1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C)C#N)C2)o1 ZINC000967941945 614334853 /nfs/dbraw/zinc/33/48/53/614334853.db2.gz BBMQTLDATRFWMD-GHMZBOCLSA-N 1 2 291.355 1.043 20 30 CDEDLO C[N@H+](Cc1ccon1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971510762 616087564 /nfs/dbraw/zinc/08/75/64/616087564.db2.gz GGINMMQZRWFWHO-CQSZACIVSA-N 1 2 273.336 1.121 20 30 CDEDLO C[N@@H+](Cc1ccon1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971510762 616087565 /nfs/dbraw/zinc/08/75/65/616087565.db2.gz GGINMMQZRWFWHO-CQSZACIVSA-N 1 2 273.336 1.121 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581569 617680204 /nfs/dbraw/zinc/68/02/04/617680204.db2.gz KHXVSRYMCMDTGC-MFKMUULPSA-N 1 2 263.297 1.720 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581569 617680207 /nfs/dbraw/zinc/68/02/07/617680207.db2.gz KHXVSRYMCMDTGC-MFKMUULPSA-N 1 2 263.297 1.720 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cnc2onc(C)c2c1 ZINC000894035196 618254298 /nfs/dbraw/zinc/25/42/98/618254298.db2.gz WIADRDMSGSDHFU-UHFFFAOYSA-N 1 2 253.305 1.990 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cnc2onc(C)c2c1 ZINC000894035196 618254299 /nfs/dbraw/zinc/25/42/99/618254299.db2.gz WIADRDMSGSDHFU-UHFFFAOYSA-N 1 2 253.305 1.990 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2CC2CC2)CC1 ZINC000830509747 618630430 /nfs/dbraw/zinc/63/04/30/618630430.db2.gz CRMLIVSIVYSGNL-UHFFFAOYSA-N 1 2 299.422 1.711 20 30 CDEDLO N#Cc1sc(N2CC[NH+]([C@@H]3CCOC3)CC2)nc1Cl ZINC000804561827 618639667 /nfs/dbraw/zinc/63/96/67/618639667.db2.gz RLUKZBWDDBHSNO-SECBINFHSA-N 1 2 298.799 1.579 20 30 CDEDLO CSCCO[NH+]=Cc1cnc(N2CCOCC2)s1 ZINC000794574838 619421630 /nfs/dbraw/zinc/42/16/30/619421630.db2.gz RYBUZTUPSMPWKF-UHFFFAOYSA-N 1 2 287.410 1.693 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)Nc1cc(C#N)nc(C)n1 ZINC000895801623 619851952 /nfs/dbraw/zinc/85/19/52/619851952.db2.gz RJFJZDUPJNPDBS-LBPRGKRZSA-N 1 2 275.356 1.179 20 30 CDEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCCCCC#N)[nH]n1 ZINC000896164795 620012917 /nfs/dbraw/zinc/01/29/17/620012917.db2.gz JOHIMRARJTTZJF-CYBMUJFWSA-N 1 2 275.356 1.600 20 30 CDEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCCCCC#N)[nH]n1 ZINC000896164795 620012919 /nfs/dbraw/zinc/01/29/19/620012919.db2.gz JOHIMRARJTTZJF-CYBMUJFWSA-N 1 2 275.356 1.600 20 30 CDEDLO C=C(Cl)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000896451936 620097196 /nfs/dbraw/zinc/09/71/96/620097196.db2.gz JKSQERSDFJNQTM-NSHDSACASA-N 1 2 268.748 1.659 20 30 CDEDLO C=C(Cl)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000896451936 620097199 /nfs/dbraw/zinc/09/71/99/620097199.db2.gz JKSQERSDFJNQTM-NSHDSACASA-N 1 2 268.748 1.659 20 30 CDEDLO C[C@@H](CC(=O)Nc1ncc(C#N)s1)n1cc[nH+]c1 ZINC000896491883 620110847 /nfs/dbraw/zinc/11/08/47/620110847.db2.gz DKDSSXKASYCFIF-QMMMGPOBSA-N 1 2 261.310 1.801 20 30 CDEDLO C#CCSCC(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000896714101 620210185 /nfs/dbraw/zinc/21/01/85/620210185.db2.gz LIDVWMXQWCHMBN-UHFFFAOYSA-N 1 2 290.379 1.541 20 30 CDEDLO C#CCSCC(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000896714101 620210186 /nfs/dbraw/zinc/21/01/86/620210186.db2.gz LIDVWMXQWCHMBN-UHFFFAOYSA-N 1 2 290.379 1.541 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H](CC)C[NH+]2CCOCC2)cc1 ZINC000928647526 620316741 /nfs/dbraw/zinc/31/67/41/620316741.db2.gz HRVJPDJHPDICJC-INIZCTEOSA-N 1 2 286.375 1.509 20 30 CDEDLO C=CCC1(O)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000899595632 622321916 /nfs/dbraw/zinc/32/19/16/622321916.db2.gz WXWQKKRMLRWFQA-ZDUSSCGKSA-N 1 2 277.368 1.764 20 30 CDEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC000900711642 623393098 /nfs/dbraw/zinc/39/30/98/623393098.db2.gz PNFMBUNDTRHKSS-AWEZNQCLSA-N 1 2 298.346 1.950 20 30 CDEDLO CCn1c[nH+]cc1C=CC(=O)C1=C(C)N=C2N=NNN2[C@@H]1C ZINC000901503146 624306059 /nfs/dbraw/zinc/30/60/59/624306059.db2.gz ALNYXZGPVQPQTP-WWQCOOJYSA-N 1 2 299.338 1.705 20 30 CDEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2cc(CO)on2)s1 ZINC000905076114 626618328 /nfs/dbraw/zinc/61/83/28/626618328.db2.gz AHEPYYQREUSYEJ-ARJAWSKDSA-N 1 2 293.348 1.581 20 30 CDEDLO CC(=O)CCn1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)nn1 ZINC000906301993 627181890 /nfs/dbraw/zinc/18/18/90/627181890.db2.gz KIZAOLSZZQMAEZ-ZDUSSCGKSA-N 1 2 297.362 1.980 20 30 CDEDLO C#CC[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C(=O)OC ZINC000909889427 628735422 /nfs/dbraw/zinc/73/54/22/628735422.db2.gz KNEZYIRRRFGAPN-GFCCVEGCSA-N 1 2 274.320 1.302 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)CC(C)(C)C#N)C1 ZINC000914295493 631316468 /nfs/dbraw/zinc/31/64/68/631316468.db2.gz XPYPVDGWCJPBOO-LLVKDONJSA-N 1 2 296.396 1.089 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCCCCC#N ZINC000916742924 632071575 /nfs/dbraw/zinc/07/15/75/632071575.db2.gz GMHMVEOUAULMMG-ZDUSSCGKSA-N 1 2 282.388 1.090 20 30 CDEDLO S=C(NN=Cc1ccc(-n2cc[nH+]c2)cc1)NC1CC1 ZINC000917026492 632129737 /nfs/dbraw/zinc/12/97/37/632129737.db2.gz OCYFCXXESLBPIP-UHFFFAOYSA-N 1 2 285.376 1.833 20 30 CDEDLO CC(=[NH+]Nc1[nH]cnc2ncnc1-2)c1ccc(N)cc1 ZINC000917554778 632240439 /nfs/dbraw/zinc/24/04/39/632240439.db2.gz SFNMPDBFNUCFPM-UHFFFAOYSA-N 1 2 267.296 1.771 20 30 CDEDLO C[NH+]1CCC(C#N)(NC(=O)c2c(O)cccc2Cl)CC1 ZINC000920448183 632780518 /nfs/dbraw/zinc/78/05/18/632780518.db2.gz FVNUXNUFYCSHAE-UHFFFAOYSA-N 1 2 293.754 1.763 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3nnc(C)o3)C[C@H]21 ZINC001114025628 1162407979 /nfs/dbraw/zinc/40/79/79/1162407979.db2.gz NNXGOGMKMGSBPQ-PQFRYHKHSA-N 1 2 290.367 1.452 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3nnc(C)o3)C[C@H]21 ZINC001114025628 1162407981 /nfs/dbraw/zinc/40/79/81/1162407981.db2.gz NNXGOGMKMGSBPQ-PQFRYHKHSA-N 1 2 290.367 1.452 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCOC2)[C@H]1C ZINC001088942586 1161041492 /nfs/dbraw/zinc/04/14/92/1161041492.db2.gz ZEQSTNCNBMOKRI-MBNYWOFBSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCOC2)[C@H]1C ZINC001088942586 1161041499 /nfs/dbraw/zinc/04/14/99/1161041499.db2.gz ZEQSTNCNBMOKRI-MBNYWOFBSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H]1C ZINC000993688156 1161187061 /nfs/dbraw/zinc/18/70/61/1161187061.db2.gz NFUXVLXLXMAEED-PDWCTOEPSA-N 1 2 298.814 1.600 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H]1C ZINC000993688156 1161187062 /nfs/dbraw/zinc/18/70/62/1161187062.db2.gz NFUXVLXLXMAEED-PDWCTOEPSA-N 1 2 298.814 1.600 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(C2CC2)c1 ZINC001032501045 1161347933 /nfs/dbraw/zinc/34/79/33/1161347933.db2.gz RICLEJCMNRUHEG-GJZGRUSLSA-N 1 2 281.359 1.491 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(C2CC2)c1 ZINC001032501045 1161347935 /nfs/dbraw/zinc/34/79/35/1161347935.db2.gz RICLEJCMNRUHEG-GJZGRUSLSA-N 1 2 281.359 1.491 20 30 CDEDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)Nc1ccc(C#N)cn1 ZINC001113154546 1162115847 /nfs/dbraw/zinc/11/58/47/1162115847.db2.gz FYTUDQGLPJKUJU-WDEREUQCSA-N 1 2 298.350 1.224 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@](C)(C=C)CCOC)CC1 ZINC001113161840 1162119029 /nfs/dbraw/zinc/11/90/29/1162119029.db2.gz LTGBPXHNVXWBLT-HNNXBMFYSA-N 1 2 266.385 1.545 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001113218181 1162131069 /nfs/dbraw/zinc/13/10/69/1162131069.db2.gz VMXABSDUKYNOHE-LSDHHAIUSA-N 1 2 290.411 1.486 20 30 CDEDLO C#Cc1cncc(C(=O)N2CC[NH+](CCOCC=C)CC2)c1 ZINC001113331094 1162155211 /nfs/dbraw/zinc/15/52/11/1162155211.db2.gz HNJKTOFRYXSRPY-UHFFFAOYSA-N 1 2 299.374 1.023 20 30 CDEDLO Cc1nc(N(C)[C@H](C)CNC(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001113562184 1162222767 /nfs/dbraw/zinc/22/27/67/1162222767.db2.gz FFCGQYNRQRSLQS-SNVBAGLBSA-N 1 2 298.350 1.240 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1ncc(CC)o1 ZINC001134058513 1164030438 /nfs/dbraw/zinc/03/04/38/1164030438.db2.gz RIMUZKKZGTTYHG-OLZOCXBDSA-N 1 2 293.367 1.034 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C)CC=CC2)[C@H](O)C1 ZINC001090550444 1164221583 /nfs/dbraw/zinc/22/15/83/1164221583.db2.gz RYMDWCOFIFQQKB-CHWSQXEVSA-N 1 2 298.814 1.647 20 30 CDEDLO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)CCC#N ZINC001609138162 1164785495 /nfs/dbraw/zinc/78/54/95/1164785495.db2.gz ATXAHAUTINVCMT-SNVBAGLBSA-N 1 2 256.313 1.773 20 30 CDEDLO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+](C)CCC#N ZINC001609138162 1164785500 /nfs/dbraw/zinc/78/55/00/1164785500.db2.gz ATXAHAUTINVCMT-SNVBAGLBSA-N 1 2 256.313 1.773 20 30 CDEDLO N#Cc1cccc([C@@H]2C[N@H+](CCc3cnccn3)CCO2)c1 ZINC000878322922 1166175094 /nfs/dbraw/zinc/17/50/94/1166175094.db2.gz RWUSJRJEINNIOY-KRWDZBQOSA-N 1 2 294.358 1.964 20 30 CDEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCc3cnccn3)CCO2)c1 ZINC000878322922 1166175100 /nfs/dbraw/zinc/17/51/00/1166175100.db2.gz RWUSJRJEINNIOY-KRWDZBQOSA-N 1 2 294.358 1.964 20 30 CDEDLO N#Cc1cc(F)cc(NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001642718732 1167192770 /nfs/dbraw/zinc/19/27/70/1167192770.db2.gz DXTKZENFRPZECP-UHFFFAOYSA-N 1 2 258.256 1.992 20 30 CDEDLO N#Cc1cc(F)cc(NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001642718732 1167192776 /nfs/dbraw/zinc/19/27/76/1167192776.db2.gz DXTKZENFRPZECP-UHFFFAOYSA-N 1 2 258.256 1.992 20 30 CDEDLO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237618466 1167396241 /nfs/dbraw/zinc/39/62/41/1167396241.db2.gz RJVYTRRCIVDVMW-OAHLLOKOSA-N 1 2 297.362 1.259 20 30 CDEDLO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237618466 1167396245 /nfs/dbraw/zinc/39/62/45/1167396245.db2.gz RJVYTRRCIVDVMW-OAHLLOKOSA-N 1 2 297.362 1.259 20 30 CDEDLO N#Cc1ccc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)c(F)c1 ZINC001650471196 1171099598 /nfs/dbraw/zinc/09/95/98/1171099598.db2.gz VMEGLJXTBVKVIT-LLVKDONJSA-N 1 2 280.274 1.898 20 30 CDEDLO N#Cc1ccc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)c(F)c1 ZINC001650471196 1171099606 /nfs/dbraw/zinc/09/96/06/1171099606.db2.gz VMEGLJXTBVKVIT-LLVKDONJSA-N 1 2 280.274 1.898 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC001589788502 1173182670 /nfs/dbraw/zinc/18/26/70/1173182670.db2.gz ZRTNQHAYRHPPSV-VHSXEESVSA-N 1 2 299.338 1.085 20 30 CDEDLO COc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@@H](C)CC#N ZINC001591486308 1173660135 /nfs/dbraw/zinc/66/01/35/1173660135.db2.gz ZFYWNOOONGPOAP-VIFPVBQESA-N 1 2 272.312 1.267 20 30 CDEDLO C#CC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(=O)[O-] ZINC001602695140 1175360761 /nfs/dbraw/zinc/36/07/61/1175360761.db2.gz XXAVEPSRHAMFDW-GFCCVEGCSA-N 1 2 275.333 1.500 20 30 CDEDLO CC[N@H+](CCC#N)Cc1ccc(OC)c(OCC(N)=O)c1 ZINC000127637805 1175559977 /nfs/dbraw/zinc/55/99/77/1175559977.db2.gz JXIPRVAUXPLFDL-UHFFFAOYSA-N 1 2 291.351 1.295 20 30 CDEDLO CC[N@@H+](CCC#N)Cc1ccc(OC)c(OCC(N)=O)c1 ZINC000127637805 1175559985 /nfs/dbraw/zinc/55/99/85/1175559985.db2.gz JXIPRVAUXPLFDL-UHFFFAOYSA-N 1 2 291.351 1.295 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001715000024 1179499139 /nfs/dbraw/zinc/49/91/39/1179499139.db2.gz CKDZKLFAZCUJMP-LBPRGKRZSA-N 1 2 276.384 1.323 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001715000024 1179499142 /nfs/dbraw/zinc/49/91/42/1179499142.db2.gz CKDZKLFAZCUJMP-LBPRGKRZSA-N 1 2 276.384 1.323 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](O)C(C)C ZINC001732581096 1183023817 /nfs/dbraw/zinc/02/38/17/1183023817.db2.gz RCWCQDYEOANTBC-LLVKDONJSA-N 1 2 262.781 1.146 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](O)C(C)C ZINC001732581096 1183023824 /nfs/dbraw/zinc/02/38/24/1183023824.db2.gz RCWCQDYEOANTBC-LLVKDONJSA-N 1 2 262.781 1.146 20 30 CDEDLO C=CCCC(=O)N1CCC[C@H]([N@@H+](C)Cc2nccn2C)C1 ZINC001752988660 1184983853 /nfs/dbraw/zinc/98/38/53/1184983853.db2.gz PITYPLXCAZCPBQ-AWEZNQCLSA-N 1 2 290.411 1.809 20 30 CDEDLO C=CCCC(=O)N1CCC[C@H]([N@H+](C)Cc2nccn2C)C1 ZINC001752988660 1184983855 /nfs/dbraw/zinc/98/38/55/1184983855.db2.gz PITYPLXCAZCPBQ-AWEZNQCLSA-N 1 2 290.411 1.809 20 30 CDEDLO C=CCCC(=O)NCC[N@@H+](C)CC(=O)N1CCCCCC1 ZINC001753045439 1185015141 /nfs/dbraw/zinc/01/51/41/1185015141.db2.gz SCKPFOHZUASVDM-UHFFFAOYSA-N 1 2 295.427 1.403 20 30 CDEDLO C=CCCC(=O)NCC[N@H+](C)CC(=O)N1CCCCCC1 ZINC001753045439 1185015149 /nfs/dbraw/zinc/01/51/49/1185015149.db2.gz SCKPFOHZUASVDM-UHFFFAOYSA-N 1 2 295.427 1.403 20 30 CDEDLO C=CC(C)(C)C(=O)N(C)CC[NH2+]Cc1nc(CCC)no1 ZINC001753225639 1185123614 /nfs/dbraw/zinc/12/36/14/1185123614.db2.gz SWYTZWKXIVAYTH-UHFFFAOYSA-N 1 2 294.399 1.782 20 30 CDEDLO C=CCCCC(=O)N(C)CC[N@H+](C)Cc1cnnn1C ZINC001753862249 1185368627 /nfs/dbraw/zinc/36/86/27/1185368627.db2.gz ICUYHNZYHQCYFX-UHFFFAOYSA-N 1 2 279.388 1.062 20 30 CDEDLO C=CCCCC(=O)N(C)CC[N@@H+](C)Cc1cnnn1C ZINC001753862249 1185368633 /nfs/dbraw/zinc/36/86/33/1185368633.db2.gz ICUYHNZYHQCYFX-UHFFFAOYSA-N 1 2 279.388 1.062 20 30 CDEDLO C[C@@H](C[NH2+]Cc1csnn1)NC(=O)C#CC(C)(C)C ZINC001754267464 1185541785 /nfs/dbraw/zinc/54/17/85/1185541785.db2.gz KKXVCBFQWWGNON-JTQLQIEISA-N 1 2 280.397 1.182 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001754471862 1185629863 /nfs/dbraw/zinc/62/98/63/1185629863.db2.gz FNXGRWJCPMLQPB-GJZGRUSLSA-N 1 2 276.380 1.183 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001754471862 1185629866 /nfs/dbraw/zinc/62/98/66/1185629866.db2.gz FNXGRWJCPMLQPB-GJZGRUSLSA-N 1 2 276.380 1.183 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC1([NH2+]Cc2nnc(C)[nH]2)CC1 ZINC001754526048 1185658783 /nfs/dbraw/zinc/65/87/83/1185658783.db2.gz CBEHEUGTOGKPNJ-UHFFFAOYSA-N 1 2 291.399 1.454 20 30 CDEDLO Cc1cn(C(C)(C)C(=O)NCC2(NCC#N)CCC2)c[nH+]1 ZINC001754982964 1185778000 /nfs/dbraw/zinc/77/80/00/1185778000.db2.gz SDAVYZRPXCKNKQ-UHFFFAOYSA-N 1 2 289.383 1.079 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C(C)(C)CC)O2 ZINC001755055949 1185801768 /nfs/dbraw/zinc/80/17/68/1185801768.db2.gz RZIRDMGWGSVUHY-CYBMUJFWSA-N 1 2 280.412 1.958 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)COC)CO2 ZINC001755063967 1185803030 /nfs/dbraw/zinc/80/30/30/1185803030.db2.gz SKLQMFDCSMEQBS-ZDUSSCGKSA-N 1 2 296.411 1.195 20 30 CDEDLO C=C(C)CC[NH+]1CC(NC(=O)c2snnc2CC)C1 ZINC001030630058 730425173 /nfs/dbraw/zinc/42/51/73/730425173.db2.gz ZVFKXOKUVMRXSH-UHFFFAOYSA-N 1 2 280.397 1.481 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](C[C@@H](O)COCc2cccs2)C1 ZINC000932163004 730435955 /nfs/dbraw/zinc/43/59/55/730435955.db2.gz SJASUVVJWQEAAQ-CHWSQXEVSA-N 1 2 280.393 1.861 20 30 CDEDLO N#C[C@H]1CCC[N@H+](C[C@@H](O)COCc2cccs2)C1 ZINC000932163004 730435956 /nfs/dbraw/zinc/43/59/56/730435956.db2.gz SJASUVVJWQEAAQ-CHWSQXEVSA-N 1 2 280.393 1.861 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC000800346602 730449257 /nfs/dbraw/zinc/44/92/57/730449257.db2.gz ZUVMGBWACQWHLT-LLVKDONJSA-N 1 2 286.372 1.561 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC000800346602 730449259 /nfs/dbraw/zinc/44/92/59/730449259.db2.gz ZUVMGBWACQWHLT-LLVKDONJSA-N 1 2 286.372 1.561 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)cncc1C ZINC001038521885 730461308 /nfs/dbraw/zinc/46/13/08/730461308.db2.gz ZMATZYQHXYOBLG-AWEZNQCLSA-N 1 2 271.364 1.526 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)cncc1C ZINC001038521885 730461312 /nfs/dbraw/zinc/46/13/12/730461312.db2.gz ZMATZYQHXYOBLG-AWEZNQCLSA-N 1 2 271.364 1.526 20 30 CDEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CCF)C2)nc1 ZINC001033597393 730477578 /nfs/dbraw/zinc/47/75/78/730477578.db2.gz WNZHJGPYIBNWLW-ZDUSSCGKSA-N 1 2 275.327 1.179 20 30 CDEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CCF)C2)nc1 ZINC001033597393 730477581 /nfs/dbraw/zinc/47/75/81/730477581.db2.gz WNZHJGPYIBNWLW-ZDUSSCGKSA-N 1 2 275.327 1.179 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccns2)CC[C@H]1C ZINC001071543735 730503187 /nfs/dbraw/zinc/50/31/87/730503187.db2.gz NCJCHDMMUPBILM-MNOVXSKESA-N 1 2 263.366 1.359 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccns2)CC[C@H]1C ZINC001071543735 730503190 /nfs/dbraw/zinc/50/31/90/730503190.db2.gz NCJCHDMMUPBILM-MNOVXSKESA-N 1 2 263.366 1.359 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCC[C@H]2OC)C1 ZINC001030559727 730511470 /nfs/dbraw/zinc/51/14/70/730511470.db2.gz DHKIWFORXFPKHK-QWHCGFSZSA-N 1 2 252.358 1.178 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2scnc2Cl)C1 ZINC001033666424 730535785 /nfs/dbraw/zinc/53/57/85/730535785.db2.gz CFLQMJTUQLHCNT-VIFPVBQESA-N 1 2 283.784 1.576 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2scnc2Cl)C1 ZINC001033666424 730535794 /nfs/dbraw/zinc/53/57/94/730535794.db2.gz CFLQMJTUQLHCNT-VIFPVBQESA-N 1 2 283.784 1.576 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2c3ccccc3NC2=O)C1 ZINC001031474074 730545247 /nfs/dbraw/zinc/54/52/47/730545247.db2.gz WRLAHCZQEMARLO-CQSZACIVSA-N 1 2 299.374 1.489 20 30 CDEDLO CCCc1noc(CO[NH+]=C(N)c2ccccc2)n1 ZINC000172381342 730549604 /nfs/dbraw/zinc/54/96/04/730549604.db2.gz XNUQEPYFXSKTEB-UHFFFAOYSA-N 1 2 260.297 1.859 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1C1CCC1 ZINC000884376575 730573026 /nfs/dbraw/zinc/57/30/26/730573026.db2.gz LKWXPUSVCDYYNM-UONOGXRCSA-N 1 2 294.395 1.614 20 30 CDEDLO C=C(C)CC[NH+]1CC(NC(=O)c2scnc2C)C1 ZINC001030128104 730586491 /nfs/dbraw/zinc/58/64/91/730586491.db2.gz UJLSFIJGYHRSMO-UHFFFAOYSA-N 1 2 265.382 1.832 20 30 CDEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)CC)C2)CC1 ZINC001051985404 730609978 /nfs/dbraw/zinc/60/99/78/730609978.db2.gz XUOPRQPBWWXBSC-JKSUJKDBSA-N 1 2 291.439 1.274 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1[C@@H](C)CC[C@@H]1CC ZINC000884329608 730616605 /nfs/dbraw/zinc/61/66/05/730616605.db2.gz QVXHVXXMRKAZMS-SRVKXCTJSA-N 1 2 268.357 1.223 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1snnc1C ZINC001027749324 730621349 /nfs/dbraw/zinc/62/13/49/730621349.db2.gz UNYPBVBVECJCLZ-LLVKDONJSA-N 1 2 278.381 1.064 20 30 CDEDLO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1snnc1C ZINC001027749324 730621351 /nfs/dbraw/zinc/62/13/51/730621351.db2.gz UNYPBVBVECJCLZ-LLVKDONJSA-N 1 2 278.381 1.064 20 30 CDEDLO Cc1nn(-c2ccccn2)c(C)c1C=NNC1=[NH+]C[C@H](C)N1 ZINC000802712006 730639732 /nfs/dbraw/zinc/63/97/32/730639732.db2.gz FVXDIOKLNIOGKJ-JTQLQIEISA-N 1 2 297.366 1.155 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[C@H]1CC=CCC1 ZINC000884436034 730641178 /nfs/dbraw/zinc/64/11/78/730641178.db2.gz SAFPTFASIXLNSJ-STQMWFEESA-N 1 2 280.368 1.296 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnn(C)c2)C1 ZINC001046118355 730641870 /nfs/dbraw/zinc/64/18/70/730641870.db2.gz GSYCFSJMVBVCOS-CYBMUJFWSA-N 1 2 282.775 1.367 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnn(C)c2)C1 ZINC001046118355 730641872 /nfs/dbraw/zinc/64/18/72/730641872.db2.gz GSYCFSJMVBVCOS-CYBMUJFWSA-N 1 2 282.775 1.367 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001030409403 730649277 /nfs/dbraw/zinc/64/92/77/730649277.db2.gz JBMIEZDRULBBHU-JTQLQIEISA-N 1 2 258.312 1.798 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCCO2)C1 ZINC001010532607 730650922 /nfs/dbraw/zinc/65/09/22/730650922.db2.gz XCYIMMDBUHARER-STQMWFEESA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCCO2)C1 ZINC001010532607 730650923 /nfs/dbraw/zinc/65/09/23/730650923.db2.gz XCYIMMDBUHARER-STQMWFEESA-N 1 2 286.803 1.889 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(C)nsc2C)C1 ZINC001044343602 730674889 /nfs/dbraw/zinc/67/48/89/730674889.db2.gz WKSDZONUKMJKNE-UHFFFAOYSA-N 1 2 277.393 1.539 20 30 CDEDLO NC(=[NH+]OCC(=O)N1CCCCC1)c1ccccc1 ZINC000059449279 730692929 /nfs/dbraw/zinc/69/29/29/730692929.db2.gz AEEBEBNVSVQDNJ-UHFFFAOYSA-N 1 2 261.325 1.336 20 30 CDEDLO C#Cc1ccccc1CC(=O)OCc1cc[nH+]c(N)c1 ZINC000811257490 730717329 /nfs/dbraw/zinc/71/73/29/730717329.db2.gz IXMNUBSUVKYNKR-UHFFFAOYSA-N 1 2 266.300 1.931 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ncoc1-c1ccccc1 ZINC001038316794 730719087 /nfs/dbraw/zinc/71/90/87/730719087.db2.gz DOLJEBQABUGFGT-AWEZNQCLSA-N 1 2 295.342 1.779 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncoc1-c1ccccc1 ZINC001038316794 730719094 /nfs/dbraw/zinc/71/90/94/730719094.db2.gz DOLJEBQABUGFGT-AWEZNQCLSA-N 1 2 295.342 1.779 20 30 CDEDLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1C[C@H](O)CC#N ZINC000930309217 730743340 /nfs/dbraw/zinc/74/33/40/730743340.db2.gz WCVIVZDDJBBBEF-OLZOCXBDSA-N 1 2 262.357 1.705 20 30 CDEDLO CCn1ccnc1[C@@H]1CCCC[N@H+]1C[C@H](O)CC#N ZINC000930309217 730743343 /nfs/dbraw/zinc/74/33/43/730743343.db2.gz WCVIVZDDJBBBEF-OLZOCXBDSA-N 1 2 262.357 1.705 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C)oc1C ZINC001032697722 730749166 /nfs/dbraw/zinc/74/91/66/730749166.db2.gz LVXAQRWAMPVRFZ-RYUDHWBXSA-N 1 2 261.325 1.376 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C)oc1C ZINC001032697722 730749171 /nfs/dbraw/zinc/74/91/71/730749171.db2.gz LVXAQRWAMPVRFZ-RYUDHWBXSA-N 1 2 261.325 1.376 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1csc(COC)n1 ZINC001039074214 730767914 /nfs/dbraw/zinc/76/79/14/730767914.db2.gz KRKXDGVBSJHAKN-LLVKDONJSA-N 1 2 293.392 1.117 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1csc(COC)n1 ZINC001039074214 730767917 /nfs/dbraw/zinc/76/79/17/730767917.db2.gz KRKXDGVBSJHAKN-LLVKDONJSA-N 1 2 293.392 1.117 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccc(OC)cc2C)C1 ZINC001042788303 730859077 /nfs/dbraw/zinc/85/90/77/730859077.db2.gz XERYANVGZQENQK-UHFFFAOYSA-N 1 2 288.391 1.875 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(CCC)c1 ZINC001038375000 730870108 /nfs/dbraw/zinc/87/01/08/730870108.db2.gz XXVOKJYJEWVTPM-MRXNPFEDSA-N 1 2 285.391 1.862 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc(CCC)c1 ZINC001038375000 730870109 /nfs/dbraw/zinc/87/01/09/730870109.db2.gz XXVOKJYJEWVTPM-MRXNPFEDSA-N 1 2 285.391 1.862 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnnn2CC)C1 ZINC001033054143 730879831 /nfs/dbraw/zinc/87/98/31/730879831.db2.gz OQNLHMTVWHKSDY-LLVKDONJSA-N 1 2 297.790 1.197 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnnn2CC)C1 ZINC001033054143 730879832 /nfs/dbraw/zinc/87/98/32/730879832.db2.gz OQNLHMTVWHKSDY-LLVKDONJSA-N 1 2 297.790 1.197 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC)s2)C1 ZINC001015149127 730888611 /nfs/dbraw/zinc/88/86/11/730888611.db2.gz MVUOCDFISHAMIE-LLVKDONJSA-N 1 2 262.378 1.748 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC)s2)C1 ZINC001015149127 730888613 /nfs/dbraw/zinc/88/86/13/730888613.db2.gz MVUOCDFISHAMIE-LLVKDONJSA-N 1 2 262.378 1.748 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cc3ncccc3s2)C1 ZINC001015504575 730896552 /nfs/dbraw/zinc/89/65/52/730896552.db2.gz PKJWOSKVGXZYDE-NSHDSACASA-N 1 2 285.372 1.734 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc3ncccc3s2)C1 ZINC001015504575 730896555 /nfs/dbraw/zinc/89/65/55/730896555.db2.gz PKJWOSKVGXZYDE-NSHDSACASA-N 1 2 285.372 1.734 20 30 CDEDLO C#CCO[C@H](C)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000823087796 730898114 /nfs/dbraw/zinc/89/81/14/730898114.db2.gz FTXMWJUTANGKDX-CHWSQXEVSA-N 1 2 261.325 1.085 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(CCC)on1 ZINC001038863738 730898511 /nfs/dbraw/zinc/89/85/11/730898511.db2.gz MWFLQDBWTVIVRW-GFCCVEGCSA-N 1 2 275.352 1.455 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(CCC)on1 ZINC001038863738 730898512 /nfs/dbraw/zinc/89/85/12/730898512.db2.gz MWFLQDBWTVIVRW-GFCCVEGCSA-N 1 2 275.352 1.455 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)N1CCC[C@](C)(C#N)C1 ZINC000811924955 730899696 /nfs/dbraw/zinc/89/96/96/730899696.db2.gz SWCDTZIFTRMKDI-CYBMUJFWSA-N 1 2 261.329 1.255 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[C@H](F)C1)CCO2 ZINC001053397147 730899858 /nfs/dbraw/zinc/89/98/58/730899858.db2.gz MHCPQNANUZBTRX-KGLIPLIRSA-N 1 2 296.386 1.614 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(C)C)nc1C ZINC001038697603 730913662 /nfs/dbraw/zinc/91/36/62/730913662.db2.gz BPVDFGRQZKQPRB-CQSZACIVSA-N 1 2 285.391 1.951 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(C)C)nc1C ZINC001038697603 730913668 /nfs/dbraw/zinc/91/36/68/730913668.db2.gz BPVDFGRQZKQPRB-CQSZACIVSA-N 1 2 285.391 1.951 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](CC(=C)Cl)C1 ZINC001031987657 730924681 /nfs/dbraw/zinc/92/46/81/730924681.db2.gz VPSOSPUVGZFVLP-OLZOCXBDSA-N 1 2 284.787 1.378 20 30 CDEDLO Cc1cnc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@@H](C)C#N)o1 ZINC000960495587 730944013 /nfs/dbraw/zinc/94/40/13/730944013.db2.gz QWBFZWRVFKWSFC-AAEUAGOBSA-N 1 2 290.367 1.566 20 30 CDEDLO Cc1cnc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@@H](C)C#N)o1 ZINC000960495587 730944014 /nfs/dbraw/zinc/94/40/14/730944014.db2.gz QWBFZWRVFKWSFC-AAEUAGOBSA-N 1 2 290.367 1.566 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001038978280 730962120 /nfs/dbraw/zinc/96/21/20/730962120.db2.gz UKXBZLLFYMDGFU-HNNXBMFYSA-N 1 2 283.375 1.786 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001038978280 730962128 /nfs/dbraw/zinc/96/21/28/730962128.db2.gz UKXBZLLFYMDGFU-HNNXBMFYSA-N 1 2 283.375 1.786 20 30 CDEDLO C=CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2ncccn2)CC1 ZINC000886772324 730965619 /nfs/dbraw/zinc/96/56/19/730965619.db2.gz WYFVFVNFAVRSBU-GFCCVEGCSA-N 1 2 290.367 1.207 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2ccc(C=O)cc2)CC1 ZINC000865795536 730978601 /nfs/dbraw/zinc/97/86/01/730978601.db2.gz JKBHLLTXENQXHF-FPLPWBNLSA-N 1 2 282.343 1.290 20 30 CDEDLO C[C@@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CCN1CC#N ZINC000947449672 731001161 /nfs/dbraw/zinc/00/11/61/731001161.db2.gz IDSRGXGMHXFCKY-DGCLKSJQSA-N 1 2 297.362 1.669 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001010268051 731018515 /nfs/dbraw/zinc/01/85/15/731018515.db2.gz KKIUGHXDXBKOJP-AWEZNQCLSA-N 1 2 295.346 1.286 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001010268051 731018522 /nfs/dbraw/zinc/01/85/22/731018522.db2.gz KKIUGHXDXBKOJP-AWEZNQCLSA-N 1 2 295.346 1.286 20 30 CDEDLO CC1(C)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1NCC#N ZINC000995963067 731085148 /nfs/dbraw/zinc/08/51/48/731085148.db2.gz WPLZCGLCORLMSA-CQSZACIVSA-N 1 2 297.362 1.527 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001035475772 731100229 /nfs/dbraw/zinc/10/02/29/731100229.db2.gz SLDUBGLQCVWLGO-KBPBESRZSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001035475772 731100243 /nfs/dbraw/zinc/10/02/43/731100243.db2.gz SLDUBGLQCVWLGO-KBPBESRZSA-N 1 2 280.412 1.816 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C#C)cc1 ZINC001038577572 731105193 /nfs/dbraw/zinc/10/51/93/731105193.db2.gz ADDNLLDOTJZPPN-OAHLLOKOSA-N 1 2 252.317 1.105 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C#C)cc1 ZINC001038577572 731105196 /nfs/dbraw/zinc/10/51/96/731105196.db2.gz ADDNLLDOTJZPPN-OAHLLOKOSA-N 1 2 252.317 1.105 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCO[C@H]1C(C)C ZINC001038263649 731105491 /nfs/dbraw/zinc/10/54/91/731105491.db2.gz UYRMGLWVCHOLDG-ILXRZTDVSA-N 1 2 278.396 1.261 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCO[C@H]1C(C)C ZINC001038263649 731105494 /nfs/dbraw/zinc/10/54/94/731105494.db2.gz UYRMGLWVCHOLDG-ILXRZTDVSA-N 1 2 278.396 1.261 20 30 CDEDLO NC(=[NH+]OCC(=O)NCC(F)(F)F)c1ccc(F)cc1 ZINC000029464596 731113663 /nfs/dbraw/zinc/11/36/63/731113663.db2.gz RBJGKPZVGLLJQQ-UHFFFAOYSA-N 1 2 293.220 1.141 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)cc1F ZINC001032646179 731141774 /nfs/dbraw/zinc/14/17/74/731141774.db2.gz BGXNLCDKORCRBR-STQMWFEESA-N 1 2 272.323 1.666 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)cc1F ZINC001032646179 731141776 /nfs/dbraw/zinc/14/17/76/731141776.db2.gz BGXNLCDKORCRBR-STQMWFEESA-N 1 2 272.323 1.666 20 30 CDEDLO C#CCC[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]cc2ncnc1-2 ZINC001027900164 731142043 /nfs/dbraw/zinc/14/20/43/731142043.db2.gz WVRUIHKPHPULRQ-GFCCVEGCSA-N 1 2 297.362 1.175 20 30 CDEDLO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]cc2ncnc1-2 ZINC001027900164 731142049 /nfs/dbraw/zinc/14/20/49/731142049.db2.gz WVRUIHKPHPULRQ-GFCCVEGCSA-N 1 2 297.362 1.175 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C)o2)C1 ZINC001035274099 731144241 /nfs/dbraw/zinc/14/42/41/731144241.db2.gz ZLEYJWNTNZHCAD-ZDUSSCGKSA-N 1 2 278.352 1.595 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C)o2)C1 ZINC001035274099 731144247 /nfs/dbraw/zinc/14/42/47/731144247.db2.gz ZLEYJWNTNZHCAD-ZDUSSCGKSA-N 1 2 278.352 1.595 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)c(F)c(C)c1 ZINC001032789282 731162815 /nfs/dbraw/zinc/16/28/15/731162815.db2.gz JZUPSZGQWBYFAI-GJZGRUSLSA-N 1 2 286.350 1.974 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)c(F)c(C)c1 ZINC001032789282 731162820 /nfs/dbraw/zinc/16/28/20/731162820.db2.gz JZUPSZGQWBYFAI-GJZGRUSLSA-N 1 2 286.350 1.974 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)c(CC)o1 ZINC001038910462 731255871 /nfs/dbraw/zinc/25/58/71/731255871.db2.gz MYEMFMYJHWWQBA-LBPRGKRZSA-N 1 2 260.337 1.588 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)c(CC)o1 ZINC001038910462 731255874 /nfs/dbraw/zinc/25/58/74/731255874.db2.gz MYEMFMYJHWWQBA-LBPRGKRZSA-N 1 2 260.337 1.588 20 30 CDEDLO C#Cc1cccc(NC(=O)CCc2c[nH+]cn2C)c1 ZINC000188513136 731257402 /nfs/dbraw/zinc/25/74/02/731257402.db2.gz JBYWZULIPUMCAT-UHFFFAOYSA-N 1 2 253.305 1.973 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874890879 731293064 /nfs/dbraw/zinc/29/30/64/731293064.db2.gz BHHXZIBEJJXWCY-GDBMZVCRSA-N 1 2 292.354 1.626 20 30 CDEDLO C#CCOc1ccccc1C[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC000392335218 731296553 /nfs/dbraw/zinc/29/65/53/731296553.db2.gz GWMFGAWTLZACDL-LLVKDONJSA-N 1 2 270.336 1.976 20 30 CDEDLO COCCO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949203 731298496 /nfs/dbraw/zinc/29/84/96/731298496.db2.gz CSIGXESHUZJRRJ-UHFFFAOYSA-N 1 2 273.130 1.732 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CCOC2(C[NH+](CC)C2)C1 ZINC001053408156 731302324 /nfs/dbraw/zinc/30/23/24/731302324.db2.gz DGMDQLQZVSMFNX-CQSZACIVSA-N 1 2 266.385 1.522 20 30 CDEDLO N#CCOc1ccc(C[NH2+]Cc2csnn2)cc1 ZINC000398240283 731310522 /nfs/dbraw/zinc/31/05/22/731310522.db2.gz OKWDBQNCIBFLAW-UHFFFAOYSA-N 1 2 260.322 1.730 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(N(C)C)cc1 ZINC000884175954 731315224 /nfs/dbraw/zinc/31/52/24/731315224.db2.gz OQXPXRWLTYPQOW-ZDUSSCGKSA-N 1 2 291.351 1.138 20 30 CDEDLO Cc1oncc1C[N@@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC000981126628 731323207 /nfs/dbraw/zinc/32/32/07/731323207.db2.gz YKDKOGVZJUFOSM-UHFFFAOYSA-N 1 2 287.363 1.431 20 30 CDEDLO Cc1oncc1C[N@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC000981126628 731323215 /nfs/dbraw/zinc/32/32/15/731323215.db2.gz YKDKOGVZJUFOSM-UHFFFAOYSA-N 1 2 287.363 1.431 20 30 CDEDLO C=CC[N@@H+](C)CN1C(=O)[C@@]2(CCCO2)[C@H]1C(C)C ZINC000840046837 731342454 /nfs/dbraw/zinc/34/24/54/731342454.db2.gz HHUXWEXUGDJQJB-TZMCWYRMSA-N 1 2 252.358 1.478 20 30 CDEDLO C=CC[N@H+](C)CN1C(=O)[C@@]2(CCCO2)[C@H]1C(C)C ZINC000840046837 731342461 /nfs/dbraw/zinc/34/24/61/731342461.db2.gz HHUXWEXUGDJQJB-TZMCWYRMSA-N 1 2 252.358 1.478 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2cccc(C)c2)C1 ZINC001030884317 731346821 /nfs/dbraw/zinc/34/68/21/731346821.db2.gz PYYFIUYDFMXGFX-UHFFFAOYSA-N 1 2 256.349 1.361 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000922336606 731349768 /nfs/dbraw/zinc/34/97/68/731349768.db2.gz ACFJUKBDCFCMSN-KGLIPLIRSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cccc(C)n2)C1 ZINC001035298586 731350428 /nfs/dbraw/zinc/35/04/28/731350428.db2.gz JRJZHRARZIOQPY-CYBMUJFWSA-N 1 2 275.352 1.007 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cccc(C)n2)C1 ZINC001035298586 731350430 /nfs/dbraw/zinc/35/04/30/731350430.db2.gz JRJZHRARZIOQPY-CYBMUJFWSA-N 1 2 275.352 1.007 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879585450 731387243 /nfs/dbraw/zinc/38/72/43/731387243.db2.gz YLJIWUYVHNHGAI-CQSZACIVSA-N 1 2 298.390 1.371 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CC[C@H](C)[C@@H]2C)c1=S ZINC000247088184 731387756 /nfs/dbraw/zinc/38/77/56/731387756.db2.gz VQDHMOVRHADKJQ-UWVGGRQHSA-N 1 2 253.375 1.683 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CC[C@H](C)[C@@H]2C)c1=S ZINC000247088184 731387762 /nfs/dbraw/zinc/38/77/62/731387762.db2.gz VQDHMOVRHADKJQ-UWVGGRQHSA-N 1 2 253.375 1.683 20 30 CDEDLO COC(=O)C[N@H+](C)CCCOc1ccc(C#N)cc1 ZINC000193741137 731391144 /nfs/dbraw/zinc/39/11/44/731391144.db2.gz QSJJQBIUNYUCLA-UHFFFAOYSA-N 1 2 262.309 1.432 20 30 CDEDLO COC(=O)C[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000193741137 731391149 /nfs/dbraw/zinc/39/11/49/731391149.db2.gz QSJJQBIUNYUCLA-UHFFFAOYSA-N 1 2 262.309 1.432 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccnn2CCC)C1 ZINC001031700751 731399097 /nfs/dbraw/zinc/39/90/97/731399097.db2.gz JLNAIJZZMXTTHM-UHFFFAOYSA-N 1 2 296.802 1.707 20 30 CDEDLO C#CC[C@@H]1CCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000887340777 731407841 /nfs/dbraw/zinc/40/78/41/731407841.db2.gz LBUDGDZHYSQCJU-CYBMUJFWSA-N 1 2 260.341 1.328 20 30 CDEDLO CC[C@@H](C#N)NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000886399512 731410449 /nfs/dbraw/zinc/41/04/49/731410449.db2.gz ZCRGLIZHYIWSCU-LBPRGKRZSA-N 1 2 293.392 1.255 20 30 CDEDLO CC[C@@H](C#N)NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000886399512 731410452 /nfs/dbraw/zinc/41/04/52/731410452.db2.gz ZCRGLIZHYIWSCU-LBPRGKRZSA-N 1 2 293.392 1.255 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1c(F)cc(OC)cc1F ZINC001038725770 731411717 /nfs/dbraw/zinc/41/17/17/731411717.db2.gz MVKDOLCCQXRAPG-JTQLQIEISA-N 1 2 296.317 1.964 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1c(F)cc(OC)cc1F ZINC001038725770 731411719 /nfs/dbraw/zinc/41/17/19/731411719.db2.gz MVKDOLCCQXRAPG-JTQLQIEISA-N 1 2 296.317 1.964 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2nccs2)CC1 ZINC000783654045 731421348 /nfs/dbraw/zinc/42/13/48/731421348.db2.gz KASJNNNVBKOMBJ-UHFFFAOYSA-N 1 2 292.360 1.214 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CCCO1)CO2 ZINC001053747515 731439911 /nfs/dbraw/zinc/43/99/11/731439911.db2.gz AAZGDAPGSSISIX-ZIAGYGMSSA-N 1 2 294.395 1.091 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2cnc(COC)s2)C1 ZINC001033712938 731449361 /nfs/dbraw/zinc/44/93/61/731449361.db2.gz MUFUTBYTGXVLPO-NSHDSACASA-N 1 2 293.392 1.069 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnc(COC)s2)C1 ZINC001033712938 731449362 /nfs/dbraw/zinc/44/93/62/731449362.db2.gz MUFUTBYTGXVLPO-NSHDSACASA-N 1 2 293.392 1.069 20 30 CDEDLO C=C(C)C[N@@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1cnn(C)c1 ZINC000808177116 731451777 /nfs/dbraw/zinc/45/17/77/731451777.db2.gz ONCYTVSGIFVDEQ-ZDUSSCGKSA-N 1 2 276.384 1.795 20 30 CDEDLO C=C(C)C[N@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1cnn(C)c1 ZINC000808177116 731451781 /nfs/dbraw/zinc/45/17/81/731451781.db2.gz ONCYTVSGIFVDEQ-ZDUSSCGKSA-N 1 2 276.384 1.795 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C2CCCC2)C1 ZINC001035263721 731460924 /nfs/dbraw/zinc/46/09/24/731460924.db2.gz SBPHUEWHEVWNTL-CQSZACIVSA-N 1 2 266.385 1.570 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C2CCCC2)C1 ZINC001035263721 731460925 /nfs/dbraw/zinc/46/09/25/731460925.db2.gz SBPHUEWHEVWNTL-CQSZACIVSA-N 1 2 266.385 1.570 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2c(C)noc2C2CC2)CC1 ZINC000131329585 731463374 /nfs/dbraw/zinc/46/33/74/731463374.db2.gz IUWFKNMRNFVJBB-UHFFFAOYSA-N 1 2 287.363 1.642 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(C)C)C1 ZINC001044112767 731523218 /nfs/dbraw/zinc/52/32/18/731523218.db2.gz SMHZLDRYAAOQJA-ZIAGYGMSSA-N 1 2 250.386 1.997 20 30 CDEDLO C#Cc1cccnc1NCC1([NH+]2CCOCC2)CC1 ZINC000853537853 731532262 /nfs/dbraw/zinc/53/22/62/731532262.db2.gz IRZWFEJTUKQHAH-UHFFFAOYSA-N 1 2 257.337 1.340 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2c(C)noc2C)C1 ZINC001031378172 731533295 /nfs/dbraw/zinc/53/32/95/731533295.db2.gz FDYXTJPGXAMFKK-UHFFFAOYSA-N 1 2 263.341 1.210 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc3c(o2)CCCC3)C1 ZINC001042890646 731542037 /nfs/dbraw/zinc/54/20/37/731542037.db2.gz XRUQOCIWVKKSAI-UHFFFAOYSA-N 1 2 286.375 1.938 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2nn(C)cc2C)C1 ZINC001042705980 731567557 /nfs/dbraw/zinc/56/75/57/731567557.db2.gz SCUWXESXMXURTK-UHFFFAOYSA-N 1 2 262.357 1.061 20 30 CDEDLO CCCCCNC(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000092914208 731574068 /nfs/dbraw/zinc/57/40/68/731574068.db2.gz NVWUATZBOUYHNB-UHFFFAOYSA-N 1 2 278.356 1.219 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2cncc(F)c2)CC1 ZINC000255052726 731601813 /nfs/dbraw/zinc/60/18/13/731601813.db2.gz WWYFAQNBMBEIBN-ARJAWSKDSA-N 1 2 273.311 1.011 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCN1c1ccccc1 ZINC001038334397 731631923 /nfs/dbraw/zinc/63/19/23/731631923.db2.gz DPVIWQKKUDSFAD-DLBZAZTESA-N 1 2 297.402 1.479 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCN1c1ccccc1 ZINC001038334397 731631929 /nfs/dbraw/zinc/63/19/29/731631929.db2.gz DPVIWQKKUDSFAD-DLBZAZTESA-N 1 2 297.402 1.479 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2c[nH]nc2C)C1 ZINC001033307563 731651412 /nfs/dbraw/zinc/65/14/12/731651412.db2.gz AZWNBBRQVXZYBA-NSHDSACASA-N 1 2 282.775 1.617 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]nc2C)C1 ZINC001033307563 731651419 /nfs/dbraw/zinc/65/14/19/731651419.db2.gz AZWNBBRQVXZYBA-NSHDSACASA-N 1 2 282.775 1.617 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@](C)(O)c2ccccc2)nn1 ZINC000881406219 731672526 /nfs/dbraw/zinc/67/25/26/731672526.db2.gz IIECDTLUYADIFH-INIZCTEOSA-N 1 2 284.363 1.299 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC[C@@H](CC)O2)C1 ZINC001030391604 731697523 /nfs/dbraw/zinc/69/75/23/731697523.db2.gz GDUFJROCDGUSOO-CHWSQXEVSA-N 1 2 252.358 1.321 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001027829076 731699030 /nfs/dbraw/zinc/69/90/30/731699030.db2.gz UICOSNQAJPRBDJ-STQMWFEESA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001027829076 731699034 /nfs/dbraw/zinc/69/90/34/731699034.db2.gz UICOSNQAJPRBDJ-STQMWFEESA-N 1 2 286.803 1.889 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc(C)c1 ZINC001038837092 731699425 /nfs/dbraw/zinc/69/94/25/731699425.db2.gz KTXJIWWRGPMESE-CQSZACIVSA-N 1 2 257.337 1.217 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(C)c1 ZINC001038837092 731699430 /nfs/dbraw/zinc/69/94/30/731699430.db2.gz KTXJIWWRGPMESE-CQSZACIVSA-N 1 2 257.337 1.217 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2CC(F)(F)C2)C1 ZINC001035333186 731704345 /nfs/dbraw/zinc/70/43/45/731704345.db2.gz ICASHJVEYTUCBL-NSHDSACASA-N 1 2 274.311 1.035 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C2CC(F)(F)C2)C1 ZINC001035333186 731704349 /nfs/dbraw/zinc/70/43/49/731704349.db2.gz ICASHJVEYTUCBL-NSHDSACASA-N 1 2 274.311 1.035 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)CC)C2)c1 ZINC001009815395 731729443 /nfs/dbraw/zinc/72/94/43/731729443.db2.gz OBPZVXYZEBTQPC-HNNXBMFYSA-N 1 2 299.374 1.207 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)CC)C2)c1 ZINC001009815395 731729445 /nfs/dbraw/zinc/72/94/45/731729445.db2.gz OBPZVXYZEBTQPC-HNNXBMFYSA-N 1 2 299.374 1.207 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001018046450 731772427 /nfs/dbraw/zinc/77/24/27/731772427.db2.gz ATHWIKPWYAYVBO-XUWVNRHRSA-N 1 2 272.392 1.731 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001018046450 731772433 /nfs/dbraw/zinc/77/24/33/731772433.db2.gz ATHWIKPWYAYVBO-XUWVNRHRSA-N 1 2 272.392 1.731 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccncc2)C1 ZINC001035265923 731805987 /nfs/dbraw/zinc/80/59/87/731805987.db2.gz CPSXYXXGRQWGCF-CQSZACIVSA-N 1 2 275.352 1.088 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccncc2)C1 ZINC001035265923 731805990 /nfs/dbraw/zinc/80/59/90/731805990.db2.gz CPSXYXXGRQWGCF-CQSZACIVSA-N 1 2 275.352 1.088 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2csnn2)C1 ZINC001046512476 731827016 /nfs/dbraw/zinc/82/70/16/731827016.db2.gz FIEHIWLIDDIGHF-LLVKDONJSA-N 1 2 286.788 1.485 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2csnn2)C1 ZINC001046512476 731827017 /nfs/dbraw/zinc/82/70/17/731827017.db2.gz FIEHIWLIDDIGHF-LLVKDONJSA-N 1 2 286.788 1.485 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2cnccc2c1 ZINC001032522459 731827799 /nfs/dbraw/zinc/82/77/99/731827799.db2.gz HCPADYLYWPXQKO-GJZGRUSLSA-N 1 2 292.342 1.162 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2cnccc2c1 ZINC001032522459 731827802 /nfs/dbraw/zinc/82/78/02/731827802.db2.gz HCPADYLYWPXQKO-GJZGRUSLSA-N 1 2 292.342 1.162 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C1CCC(F)(F)CC1 ZINC001038739336 731835385 /nfs/dbraw/zinc/83/53/85/731835385.db2.gz KGCCYJOYZYFRKD-GFCCVEGCSA-N 1 2 270.323 1.636 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C1CCC(F)(F)CC1 ZINC001038739336 731835390 /nfs/dbraw/zinc/83/53/90/731835390.db2.gz KGCCYJOYZYFRKD-GFCCVEGCSA-N 1 2 270.323 1.636 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@H]2COC3(C[NH+](CC)C3)C2)C1 ZINC001053919153 731835428 /nfs/dbraw/zinc/83/54/28/731835428.db2.gz GEEVFUQLOLYKIP-GFCCVEGCSA-N 1 2 264.369 1.322 20 30 CDEDLO N#Cc1ccc(CCNC(=O)/C=C/C[NH+]2CCOCC2)cc1 ZINC000869229222 731836300 /nfs/dbraw/zinc/83/63/00/731836300.db2.gz UMURGRAWFVFYKU-OWOJBTEDSA-N 1 2 299.374 1.105 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)c1ccccc1 ZINC000884044397 731874952 /nfs/dbraw/zinc/87/49/52/731874952.db2.gz GQPZCUSWCJKANV-LBPRGKRZSA-N 1 2 262.309 1.096 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](CC)C1CCCCC1 ZINC000884116992 731877015 /nfs/dbraw/zinc/87/70/15/731877015.db2.gz LSNBUJVKDZLCIN-KBPBESRZSA-N 1 2 296.411 1.908 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934433865 731887379 /nfs/dbraw/zinc/88/73/79/731887379.db2.gz GYCQSJGMJQKEKA-QLFBSQMISA-N 1 2 275.348 1.249 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934433865 731887381 /nfs/dbraw/zinc/88/73/81/731887381.db2.gz GYCQSJGMJQKEKA-QLFBSQMISA-N 1 2 275.348 1.249 20 30 CDEDLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccc(C#N)cc1 ZINC000816856247 731912680 /nfs/dbraw/zinc/91/26/80/731912680.db2.gz BZFGSPZHILPSBM-JTQLQIEISA-N 1 2 254.293 1.701 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)SC ZINC001017366581 731913852 /nfs/dbraw/zinc/91/38/52/731913852.db2.gz DRQGJNHUCWKHJA-RWMBFGLXSA-N 1 2 266.410 1.436 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)SC ZINC001017366581 731913853 /nfs/dbraw/zinc/91/38/53/731913853.db2.gz DRQGJNHUCWKHJA-RWMBFGLXSA-N 1 2 266.410 1.436 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001030673642 731938316 /nfs/dbraw/zinc/93/83/16/731938316.db2.gz WWYPDLSMROMBQV-UHFFFAOYSA-N 1 2 268.320 1.000 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ncn(C(C)(C)C)n1 ZINC001038707562 731980485 /nfs/dbraw/zinc/98/04/85/731980485.db2.gz YGZWZRNKRKMFBZ-NSHDSACASA-N 1 2 277.372 1.023 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ncn(C(C)(C)C)n1 ZINC001038707562 731980488 /nfs/dbraw/zinc/98/04/88/731980488.db2.gz YGZWZRNKRKMFBZ-NSHDSACASA-N 1 2 277.372 1.023 20 30 CDEDLO C=C(C)C[N@@H+](C)Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000877165814 732006481 /nfs/dbraw/zinc/00/64/81/732006481.db2.gz QPRPPEZIZKAHMB-ZDUSSCGKSA-N 1 2 250.346 1.465 20 30 CDEDLO C=C(C)C[N@H+](C)Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000877165814 732006485 /nfs/dbraw/zinc/00/64/85/732006485.db2.gz QPRPPEZIZKAHMB-ZDUSSCGKSA-N 1 2 250.346 1.465 20 30 CDEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cc(C)nn2C)nn1 ZINC000818346294 732008916 /nfs/dbraw/zinc/00/89/16/732008916.db2.gz CCPWUMFKEBVSDW-NSHDSACASA-N 1 2 260.345 1.357 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2nc(C)c(C)nc2C)C1 ZINC001043284066 732019870 /nfs/dbraw/zinc/01/98/70/732019870.db2.gz NKXSHJGCTNMVLI-UHFFFAOYSA-N 1 2 286.379 1.181 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCC(=O)[C@@H]2C)C1 ZINC000923561871 732020386 /nfs/dbraw/zinc/02/03/86/732020386.db2.gz OJOQUHRUHSRRDG-MCIONIFRSA-N 1 2 276.380 1.206 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCC(=O)[C@@H]2C)C1 ZINC000923561871 732020392 /nfs/dbraw/zinc/02/03/92/732020392.db2.gz OJOQUHRUHSRRDG-MCIONIFRSA-N 1 2 276.380 1.206 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc3ccccn3c2)C1 ZINC001035530422 732023323 /nfs/dbraw/zinc/02/33/23/732023323.db2.gz MYHAFYDPQYRNRJ-MRXNPFEDSA-N 1 2 299.374 1.556 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc3ccccn3c2)C1 ZINC001035530422 732023328 /nfs/dbraw/zinc/02/33/28/732023328.db2.gz MYHAFYDPQYRNRJ-MRXNPFEDSA-N 1 2 299.374 1.556 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(F)cc2)C1 ZINC000885508647 732027968 /nfs/dbraw/zinc/02/79/68/732027968.db2.gz JFJGUGBYJLVLNB-CYBMUJFWSA-N 1 2 296.367 1.202 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(F)cc2)C1 ZINC000885508647 732027973 /nfs/dbraw/zinc/02/79/73/732027973.db2.gz JFJGUGBYJLVLNB-CYBMUJFWSA-N 1 2 296.367 1.202 20 30 CDEDLO Cc1conc1C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 ZINC001027329239 732048676 /nfs/dbraw/zinc/04/86/76/732048676.db2.gz AAUQFMCQYSIHQO-DGCLKSJQSA-N 1 2 290.367 1.566 20 30 CDEDLO Cc1conc1C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 ZINC001027329239 732048679 /nfs/dbraw/zinc/04/86/79/732048679.db2.gz AAUQFMCQYSIHQO-DGCLKSJQSA-N 1 2 290.367 1.566 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(F)C(F)(F)F ZINC001039377928 732057707 /nfs/dbraw/zinc/05/77/07/732057707.db2.gz YGHWZXLMNLURBG-OUAUKWLOSA-N 1 2 292.276 1.585 20 30 CDEDLO C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(F)C(F)(F)F ZINC001039377928 732057714 /nfs/dbraw/zinc/05/77/14/732057714.db2.gz YGHWZXLMNLURBG-OUAUKWLOSA-N 1 2 292.276 1.585 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(C)C)nn1C ZINC001038866895 732092864 /nfs/dbraw/zinc/09/28/64/732092864.db2.gz YTEOIFBLRNGXGR-ZDUSSCGKSA-N 1 2 288.395 1.371 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(C)C)nn1C ZINC001038866895 732092869 /nfs/dbraw/zinc/09/28/69/732092869.db2.gz YTEOIFBLRNGXGR-ZDUSSCGKSA-N 1 2 288.395 1.371 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)cc(C)c2)C1 ZINC001031308482 732124647 /nfs/dbraw/zinc/12/46/47/732124647.db2.gz DACBGNDPOCILMK-UHFFFAOYSA-N 1 2 256.349 1.741 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1(C)CCC1)CO2 ZINC001053895681 732139049 /nfs/dbraw/zinc/13/90/49/732139049.db2.gz KDVDQTOPNUZVRW-ZDUSSCGKSA-N 1 2 278.396 1.712 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(O)c(Cl)c2)C1 ZINC000923587820 732145713 /nfs/dbraw/zinc/14/57/13/732145713.db2.gz QVDVZPVAUYSUFQ-GFCCVEGCSA-N 1 2 292.766 1.873 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(O)c(Cl)c2)C1 ZINC000923587820 732145722 /nfs/dbraw/zinc/14/57/22/732145722.db2.gz QVDVZPVAUYSUFQ-GFCCVEGCSA-N 1 2 292.766 1.873 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc[nH]1)O2 ZINC001053573129 732162022 /nfs/dbraw/zinc/16/20/22/732162022.db2.gz BGLFFPLZLBGMJT-GFCCVEGCSA-N 1 2 275.352 1.164 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001038358640 732220623 /nfs/dbraw/zinc/22/06/23/732220623.db2.gz AWVDRQYDOIRWNX-LLVKDONJSA-N 1 2 298.346 1.096 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001038358640 732220624 /nfs/dbraw/zinc/22/06/24/732220624.db2.gz AWVDRQYDOIRWNX-LLVKDONJSA-N 1 2 298.346 1.096 20 30 CDEDLO NC(=O)c1cccc(CO[NH+]=C(N)c2ccccc2)c1 ZINC000047461184 732242473 /nfs/dbraw/zinc/24/24/73/732242473.db2.gz XKWODTQJIYWIHL-UHFFFAOYSA-N 1 2 269.304 1.623 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000884143989 732242514 /nfs/dbraw/zinc/24/25/14/732242514.db2.gz XQIGFTUNCUVYTN-AGIUHOORSA-N 1 2 282.384 1.470 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2nc(C)sc2C)C1 ZINC001035410774 732244013 /nfs/dbraw/zinc/24/40/13/732244013.db2.gz DOJWECBFJGJCNF-GFCCVEGCSA-N 1 2 295.408 1.377 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2nc(C)sc2C)C1 ZINC001035410774 732244016 /nfs/dbraw/zinc/24/40/16/732244016.db2.gz DOJWECBFJGJCNF-GFCCVEGCSA-N 1 2 295.408 1.377 20 30 CDEDLO NC(=[NH+]OCC(=O)NCC(F)(F)F)c1ccccc1 ZINC000028914627 732315486 /nfs/dbraw/zinc/31/54/86/732315486.db2.gz FVDOHADIHKRKDW-UHFFFAOYSA-N 1 2 275.230 1.002 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCOC[C@@H]2C)C1 ZINC001031958423 732338111 /nfs/dbraw/zinc/33/81/11/732338111.db2.gz VBIBVAXFZHOXGK-GWCFXTLKSA-N 1 2 286.803 1.460 20 30 CDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1ccoc1 ZINC001031546433 732341707 /nfs/dbraw/zinc/34/17/07/732341707.db2.gz LGGDDLUWHYBCFE-UHFFFAOYSA-N 1 2 294.354 1.993 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@@]2(CC)C(C)C)C1 ZINC001031180121 732356841 /nfs/dbraw/zinc/35/68/41/732356841.db2.gz KABXHHHXHKSSNM-HOCLYGCPSA-N 1 2 262.397 1.882 20 30 CDEDLO C=CCCCCN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000828338064 732366783 /nfs/dbraw/zinc/36/67/83/732366783.db2.gz HDBLQBIAEMITNR-QGZVFWFLSA-N 1 2 258.431 1.339 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccsn1 ZINC001017646102 732369118 /nfs/dbraw/zinc/36/91/18/732369118.db2.gz UXCWSWRNWZMIDF-PHIMTYICSA-N 1 2 263.366 1.618 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccsn1 ZINC001017646102 732369121 /nfs/dbraw/zinc/36/91/21/732369121.db2.gz UXCWSWRNWZMIDF-PHIMTYICSA-N 1 2 263.366 1.618 20 30 CDEDLO Cc1noc([C@@H](C)[N@H+](C)C[C@@H](O)c2ccc(C#N)cc2)n1 ZINC000844363361 732386521 /nfs/dbraw/zinc/38/65/21/732386521.db2.gz RZCKXKIXFSGNAH-QMTHXVAHSA-N 1 2 286.335 1.976 20 30 CDEDLO Cc1noc([C@@H](C)[N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)n1 ZINC000844363361 732386527 /nfs/dbraw/zinc/38/65/27/732386527.db2.gz RZCKXKIXFSGNAH-QMTHXVAHSA-N 1 2 286.335 1.976 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[C@]23CCOC3)C1 ZINC001032117122 732418177 /nfs/dbraw/zinc/41/81/77/732418177.db2.gz WMNDYQYIMJKURW-JSGCOSHPSA-N 1 2 284.787 1.214 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](Nc2ncc(C(=O)OCC)s2)C1 ZINC000884611036 732463084 /nfs/dbraw/zinc/46/30/84/732463084.db2.gz BHKAIJCRXNTBKE-LLVKDONJSA-N 1 2 293.392 1.829 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](Nc2ncc(C(=O)OCC)s2)C1 ZINC000884611036 732463087 /nfs/dbraw/zinc/46/30/87/732463087.db2.gz BHKAIJCRXNTBKE-LLVKDONJSA-N 1 2 293.392 1.829 20 30 CDEDLO C#CCOc1ccccc1C[NH2+]Cc1cn(CCC)nn1 ZINC000865464760 732523152 /nfs/dbraw/zinc/52/31/52/732523152.db2.gz OTAIWMWTPKEAIT-UHFFFAOYSA-N 1 2 284.363 1.990 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC(C)C)c[nH]1 ZINC001032735992 732527583 /nfs/dbraw/zinc/52/75/83/732527583.db2.gz RJRROPAORTYBBY-GJZGRUSLSA-N 1 2 285.391 1.745 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC(C)C)c[nH]1 ZINC001032735992 732527574 /nfs/dbraw/zinc/52/75/74/732527574.db2.gz RJRROPAORTYBBY-GJZGRUSLSA-N 1 2 285.391 1.745 20 30 CDEDLO CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001038000952 732592579 /nfs/dbraw/zinc/59/25/79/732592579.db2.gz FFOGNGMECCHXAQ-ZDUSSCGKSA-N 1 2 261.300 1.408 20 30 CDEDLO CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001038000952 732592585 /nfs/dbraw/zinc/59/25/85/732592585.db2.gz FFOGNGMECCHXAQ-ZDUSSCGKSA-N 1 2 261.300 1.408 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C(C)C ZINC001017821664 732644836 /nfs/dbraw/zinc/64/48/36/732644836.db2.gz FCZKADRTDHFOJC-FRRDWIJNSA-N 1 2 252.333 1.289 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C(C)C ZINC001017821664 732644842 /nfs/dbraw/zinc/64/48/42/732644842.db2.gz FCZKADRTDHFOJC-FRRDWIJNSA-N 1 2 252.333 1.289 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnn1-c1ccccc1 ZINC001038414434 732663292 /nfs/dbraw/zinc/66/32/92/732663292.db2.gz ARGYGXKQZYYBSJ-HNNXBMFYSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnn1-c1ccccc1 ZINC001038414434 732663299 /nfs/dbraw/zinc/66/32/99/732663299.db2.gz ARGYGXKQZYYBSJ-HNNXBMFYSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2conc2C(C)C)C1 ZINC001042901611 732670016 /nfs/dbraw/zinc/67/00/16/732670016.db2.gz FXMRKICKRBFHAF-UHFFFAOYSA-N 1 2 275.352 1.578 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3nc(C)c[nH]3)cc2C1 ZINC001054285024 732670836 /nfs/dbraw/zinc/67/08/36/732670836.db2.gz PCVPOTRZCVPVKR-UHFFFAOYSA-N 1 2 294.358 1.597 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3nc(C)c[nH]3)cc2C1 ZINC001054285024 732670839 /nfs/dbraw/zinc/67/08/39/732670839.db2.gz PCVPOTRZCVPVKR-UHFFFAOYSA-N 1 2 294.358 1.597 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCO[C@@H]1C ZINC001017762317 732680509 /nfs/dbraw/zinc/68/05/09/732680509.db2.gz YPNWOCXDIZVUTM-AIANPOQGSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCO[C@@H]1C ZINC001017762317 732680521 /nfs/dbraw/zinc/68/05/21/732680521.db2.gz YPNWOCXDIZVUTM-AIANPOQGSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[C@H](NCc1c[nH+]c(C)n1-c1ccccc1)C(=O)OC ZINC000839167258 732823211 /nfs/dbraw/zinc/82/32/11/732823211.db2.gz VCAYCOCVDNWSRP-INIZCTEOSA-N 1 2 297.358 1.835 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC2(F)F)C1 ZINC001043035049 732835749 /nfs/dbraw/zinc/83/57/49/732835749.db2.gz WVGXWOUKCVFOIJ-NSHDSACASA-N 1 2 258.312 1.750 20 30 CDEDLO CC[N@H+](C[C@@H]1CCOC1)Cn1nc(CC#N)n(C)c1=S ZINC000794631675 732847183 /nfs/dbraw/zinc/84/71/83/732847183.db2.gz NCNUKQIECXHTIM-NSHDSACASA-N 1 2 295.412 1.333 20 30 CDEDLO CC[N@@H+](C[C@@H]1CCOC1)Cn1nc(CC#N)n(C)c1=S ZINC000794631675 732847187 /nfs/dbraw/zinc/84/71/87/732847187.db2.gz NCNUKQIECXHTIM-NSHDSACASA-N 1 2 295.412 1.333 20 30 CDEDLO C[C@@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)c1cccc(C#N)c1O ZINC000883396929 732932139 /nfs/dbraw/zinc/93/21/39/732932139.db2.gz ZVXFDICMQYJWMR-BXUZGUMPSA-N 1 2 299.374 1.925 20 30 CDEDLO C[C@@H]1COc2ccccc2C[N@@H+]1CC(=O)NCCC#N ZINC000782520324 732969540 /nfs/dbraw/zinc/96/95/40/732969540.db2.gz PMJJOOKEHPORFV-GFCCVEGCSA-N 1 2 273.336 1.299 20 30 CDEDLO C[C@@H]1COc2ccccc2C[N@H+]1CC(=O)NCCC#N ZINC000782520324 732969550 /nfs/dbraw/zinc/96/95/50/732969550.db2.gz PMJJOOKEHPORFV-GFCCVEGCSA-N 1 2 273.336 1.299 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1F ZINC001038017969 732990963 /nfs/dbraw/zinc/99/09/63/732990963.db2.gz GWJLIOJNFIROGI-GFCCVEGCSA-N 1 2 260.312 1.653 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1F ZINC001038017969 732990970 /nfs/dbraw/zinc/99/09/70/732990970.db2.gz GWJLIOJNFIROGI-GFCCVEGCSA-N 1 2 260.312 1.653 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(F)ccc2F)C1 ZINC001042928565 733004543 /nfs/dbraw/zinc/00/45/43/733004543.db2.gz JUPASGBBWGVHOA-UHFFFAOYSA-N 1 2 278.302 1.744 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cn(C)nn2)[C@@H]1C ZINC000993254242 733027398 /nfs/dbraw/zinc/02/73/98/733027398.db2.gz GAAGSLJJMVNACJ-WDEREUQCSA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)nn2)[C@@H]1C ZINC000993254242 733027403 /nfs/dbraw/zinc/02/74/03/733027403.db2.gz GAAGSLJJMVNACJ-WDEREUQCSA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCO[C@H](C)C2)C1 ZINC001032075233 733031101 /nfs/dbraw/zinc/03/11/01/733031101.db2.gz ITZZFCSCVYAEHD-YPMHNXCESA-N 1 2 286.803 1.602 20 30 CDEDLO Cn1c[nH+]cc1CN=Nc1cccc(F)c1[N+](=O)[O-] ZINC000790309156 733053434 /nfs/dbraw/zinc/05/34/34/733053434.db2.gz VWSLKAZJJXQEOL-UHFFFAOYSA-N 1 2 263.232 1.913 20 30 CDEDLO C[N@H+](CC(F)F)C1CCN(c2ccnc(C#N)n2)CC1 ZINC000848668699 733086773 /nfs/dbraw/zinc/08/67/73/733086773.db2.gz XUBUFEGXIOHJMB-UHFFFAOYSA-N 1 2 281.310 1.514 20 30 CDEDLO C[N@@H+](CC(F)F)C1CCN(c2ccnc(C#N)n2)CC1 ZINC000848668699 733086781 /nfs/dbraw/zinc/08/67/81/733086781.db2.gz XUBUFEGXIOHJMB-UHFFFAOYSA-N 1 2 281.310 1.514 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnc(C)nc2C(C)C)C1 ZINC001031045882 733115640 /nfs/dbraw/zinc/11/56/40/733115640.db2.gz RHAHZYYFXWAFEQ-UHFFFAOYSA-N 1 2 286.379 1.346 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCC2(C#N)CC2)C1 ZINC000797582808 733121920 /nfs/dbraw/zinc/12/19/20/733121920.db2.gz NQUSDHVRMILYCG-GFCCVEGCSA-N 1 2 287.367 1.613 20 30 CDEDLO C=CCn1cccc1C(=O)NC1C[NH+](CC(=C)C)C1 ZINC001030447190 733127253 /nfs/dbraw/zinc/12/72/53/733127253.db2.gz LTAVEKIJOKQWCF-UHFFFAOYSA-N 1 2 259.353 1.664 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCCC[C@H]2OC)C1 ZINC001031466973 733164740 /nfs/dbraw/zinc/16/47/40/733164740.db2.gz XQTNWAFTZGMCQW-ZIAGYGMSSA-N 1 2 266.385 1.568 20 30 CDEDLO Cc1cc(N2CC[C@@](F)(C#N)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001609404957 1164931497 /nfs/dbraw/zinc/93/14/97/1164931497.db2.gz QXBLJDXSWOTOED-GFCCVEGCSA-N 1 2 273.275 1.012 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C1=COCCO1 ZINC001406581359 976269857 /nfs/dbraw/zinc/26/98/57/976269857.db2.gz HMPZWHNALBRKFA-JTQLQIEISA-N 1 2 274.748 1.064 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C1=COCCO1 ZINC001406581359 976269860 /nfs/dbraw/zinc/26/98/60/976269860.db2.gz HMPZWHNALBRKFA-JTQLQIEISA-N 1 2 274.748 1.064 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccnn2)[C@H]1C ZINC001088935748 912323173 /nfs/dbraw/zinc/32/31/73/912323173.db2.gz WWSHVWQYHLQYLS-MNOVXSKESA-N 1 2 280.759 1.422 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccnn2)[C@H]1C ZINC001088935748 912323189 /nfs/dbraw/zinc/32/31/89/912323189.db2.gz WWSHVWQYHLQYLS-MNOVXSKESA-N 1 2 280.759 1.422 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ncc(C)cc2C)C1 ZINC001030715226 912615027 /nfs/dbraw/zinc/61/50/27/912615027.db2.gz AMIYGHSDMIFEJD-UHFFFAOYSA-N 1 2 257.337 1.136 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc3ccccc3[nH]c2=O)C1 ZINC001030764873 912702262 /nfs/dbraw/zinc/70/22/62/912702262.db2.gz HKFQZXAWBZGRJK-UHFFFAOYSA-N 1 2 295.342 1.378 20 30 CDEDLO C#CC[NH2+]CCCC[C@H](C)NC(=O)c1[nH]ncc1F ZINC001175133439 913472643 /nfs/dbraw/zinc/47/26/43/913472643.db2.gz AQPLOADTHYUDQT-JTQLQIEISA-N 1 2 266.320 1.060 20 30 CDEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)oc1C ZINC000971219124 895797199 /nfs/dbraw/zinc/79/71/99/895797199.db2.gz WTMLNGGSTTUPGS-GXFFZTMASA-N 1 2 290.367 1.484 20 30 CDEDLO Cc1nc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)oc1C ZINC000971219124 895797216 /nfs/dbraw/zinc/79/72/16/895797216.db2.gz WTMLNGGSTTUPGS-GXFFZTMASA-N 1 2 290.367 1.484 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@@H+](CC(=C)C)[C@@H]2C1 ZINC001176954625 914396556 /nfs/dbraw/zinc/39/65/56/914396556.db2.gz GSKLATNWMKVAOP-HUUCEWRRSA-N 1 2 278.396 1.830 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@H+](CC(=C)C)[C@@H]2C1 ZINC001176954625 914396573 /nfs/dbraw/zinc/39/65/73/914396573.db2.gz GSKLATNWMKVAOP-HUUCEWRRSA-N 1 2 278.396 1.830 20 30 CDEDLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)C#CC(C)(C)C)C[C@H]21 ZINC001177013228 914435116 /nfs/dbraw/zinc/43/51/16/914435116.db2.gz PWVYRLFLUQTKKU-KGLIPLIRSA-N 1 2 278.396 1.358 20 30 CDEDLO CC[N@H+]1CCO[C@H]2CCN(C(=O)C#CC(C)(C)C)C[C@H]21 ZINC001177013228 914435122 /nfs/dbraw/zinc/43/51/22/914435122.db2.gz PWVYRLFLUQTKKU-KGLIPLIRSA-N 1 2 278.396 1.358 20 30 CDEDLO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]cc2ncnc1-2 ZINC001027898547 900958853 /nfs/dbraw/zinc/95/88/53/900958853.db2.gz DTQOYPBEOISVPH-GFCCVEGCSA-N 1 2 299.378 1.728 20 30 CDEDLO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]cc2ncnc1-2 ZINC001027898547 900958863 /nfs/dbraw/zinc/95/88/63/900958863.db2.gz DTQOYPBEOISVPH-GFCCVEGCSA-N 1 2 299.378 1.728 20 30 CDEDLO O=C(C#CC1CC1)N1CC2(C1)CCC[N@H+](Cc1ccon1)C2 ZINC000981758324 901377556 /nfs/dbraw/zinc/37/75/56/901377556.db2.gz LLYRJFDBFLCDNF-UHFFFAOYSA-N 1 2 299.374 1.512 20 30 CDEDLO O=C(C#CC1CC1)N1CC2(C1)CCC[N@@H+](Cc1ccon1)C2 ZINC000981758324 901377564 /nfs/dbraw/zinc/37/75/64/901377564.db2.gz LLYRJFDBFLCDNF-UHFFFAOYSA-N 1 2 299.374 1.512 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2c[nH]c3ncccc23)C1 ZINC001031450125 914647365 /nfs/dbraw/zinc/64/73/65/914647365.db2.gz NOJHWWSNENWDHY-UHFFFAOYSA-N 1 2 270.336 1.092 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2cnsn2)CCCC1 ZINC001482213531 903701668 /nfs/dbraw/zinc/70/16/68/903701668.db2.gz PMDQWWKIRQKOCT-JTQLQIEISA-N 1 2 293.396 1.216 20 30 CDEDLO C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2CC#N)n1cc[nH+]c1 ZINC001029495339 906133419 /nfs/dbraw/zinc/13/34/19/906133419.db2.gz FPBMVLSBHBNYJH-MCIONIFRSA-N 1 2 287.367 1.033 20 30 CDEDLO N#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[N@@H+]2C1CCCC1 ZINC001271256114 906206336 /nfs/dbraw/zinc/20/63/36/906206336.db2.gz PQPBPWKBGXRSHQ-GASCZTMLSA-N 1 2 291.395 1.534 20 30 CDEDLO N#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[N@H+]2C1CCCC1 ZINC001271256114 906206354 /nfs/dbraw/zinc/20/63/54/906206354.db2.gz PQPBPWKBGXRSHQ-GASCZTMLSA-N 1 2 291.395 1.534 20 30 CDEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)/C(C)=C/C)c2C1 ZINC001128322256 921268849 /nfs/dbraw/zinc/26/88/49/921268849.db2.gz YAJFMHRCEZSZDX-WLRTZDKTSA-N 1 2 288.395 1.857 20 30 CDEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)/C(C)=C/C)c2C1 ZINC001128322256 921268855 /nfs/dbraw/zinc/26/88/55/921268855.db2.gz YAJFMHRCEZSZDX-WLRTZDKTSA-N 1 2 288.395 1.857 20 30 CDEDLO N#CCN[C@H]1CCCCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001088305798 906856431 /nfs/dbraw/zinc/85/64/31/906856431.db2.gz JCOXJRYPNMWSTN-ZDUSSCGKSA-N 1 2 289.383 1.227 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)[C@H]1C ZINC001088501022 907511508 /nfs/dbraw/zinc/51/15/08/907511508.db2.gz GWKBWGVYISXMGU-PWSUYJOCSA-N 1 2 282.775 1.284 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)[C@H]1C ZINC001088501022 907511513 /nfs/dbraw/zinc/51/15/13/907511513.db2.gz GWKBWGVYISXMGU-PWSUYJOCSA-N 1 2 282.775 1.284 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H]1OC ZINC001212022441 908254043 /nfs/dbraw/zinc/25/40/43/908254043.db2.gz QWHVZXYTQXXWEH-TZMCWYRMSA-N 1 2 293.367 1.265 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H]1OC ZINC001212022441 908254052 /nfs/dbraw/zinc/25/40/52/908254052.db2.gz QWHVZXYTQXXWEH-TZMCWYRMSA-N 1 2 293.367 1.265 20 30 CDEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C(F)F)CC2)C1 ZINC001093494729 909829740 /nfs/dbraw/zinc/82/97/40/909829740.db2.gz JEQKSRXFRXTTJH-UHFFFAOYSA-N 1 2 288.338 1.519 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CCC)CC2)C1 ZINC001093497263 909832967 /nfs/dbraw/zinc/83/29/67/909832967.db2.gz AHPNCSYWPJSJBJ-UHFFFAOYSA-N 1 2 266.385 1.664 20 30 CDEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCN(CC)C(=O)C1 ZINC001172030445 911146109 /nfs/dbraw/zinc/14/61/09/911146109.db2.gz YHBIPSJHUBSDID-KBPBESRZSA-N 1 2 296.411 1.731 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCCO[C@H]2C)C1 ZINC001030253633 911628387 /nfs/dbraw/zinc/62/83/87/911628387.db2.gz RUOCUTYWHTYIKY-WCQYABFASA-N 1 2 252.358 1.178 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C=C(C)C)[C@H](O)C1 ZINC001099656196 921683603 /nfs/dbraw/zinc/68/36/03/921683603.db2.gz AOXLKFNGQBEODQ-VXGBXAGGSA-N 1 2 272.776 1.257 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C=C(C)C)[C@H](O)C1 ZINC001099656196 921683607 /nfs/dbraw/zinc/68/36/07/921683607.db2.gz AOXLKFNGQBEODQ-VXGBXAGGSA-N 1 2 272.776 1.257 20 30 CDEDLO O=C(C#Cc1ccccn1)Nc1cccc2[nH+]ccn21 ZINC001177797549 914937181 /nfs/dbraw/zinc/93/71/81/914937181.db2.gz TWGNVAUHJVCRPI-UHFFFAOYSA-N 1 2 262.272 1.720 20 30 CDEDLO C#CC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCCC1 ZINC001178121441 915229602 /nfs/dbraw/zinc/22/96/02/915229602.db2.gz HYVBOAJMRLHHGJ-CYBMUJFWSA-N 1 2 271.364 1.898 20 30 CDEDLO C#CCC[NH2+][C@H]1CCN(C(=O)C(F)C(F)(F)F)[C@H]1C ZINC001178746475 915613158 /nfs/dbraw/zinc/61/31/58/915613158.db2.gz GAJABXLMYLBMSK-LPEHRKFASA-N 1 2 280.265 1.489 20 30 CDEDLO C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)[C@H]1C ZINC001178746475 915613165 /nfs/dbraw/zinc/61/31/65/915613165.db2.gz GAJABXLMYLBMSK-LPEHRKFASA-N 1 2 280.265 1.489 20 30 CDEDLO Cc1[nH]nc(NCc2cccc3[nH+]ccn32)c1C#N ZINC001178895375 915673507 /nfs/dbraw/zinc/67/35/07/915673507.db2.gz HSXOPOQALHHBDP-UHFFFAOYSA-N 1 2 252.281 1.850 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC[NH2+]Cc1nc(C2CCCC2)no1 ZINC001124897059 936343214 /nfs/dbraw/zinc/34/32/14/936343214.db2.gz QTVHYDXSZYBWEO-JTQLQIEISA-N 1 2 291.355 1.093 20 30 CDEDLO N#CCNCCCCCCNC(=O)CCCn1cc[nH+]c1 ZINC001180452074 916389376 /nfs/dbraw/zinc/38/93/76/916389376.db2.gz LIRHUTIHUWSNTD-UHFFFAOYSA-N 1 2 291.399 1.453 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc[nH]c(=O)c1 ZINC001485290429 916769617 /nfs/dbraw/zinc/76/96/17/916769617.db2.gz ALLQMCFICGZRNM-JTQLQIEISA-N 1 2 283.759 1.590 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cc[nH]c(=O)c1 ZINC001485290429 916769625 /nfs/dbraw/zinc/76/96/25/916769625.db2.gz ALLQMCFICGZRNM-JTQLQIEISA-N 1 2 283.759 1.590 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001181511555 917114324 /nfs/dbraw/zinc/11/43/24/917114324.db2.gz QMEFCWZZOSPWQF-SNVBAGLBSA-N 1 2 266.370 1.195 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([NH2+]Cc2nc(CC)no2)C1 ZINC001181534775 917133178 /nfs/dbraw/zinc/13/31/78/917133178.db2.gz COOHMJGWDXZVHE-LLVKDONJSA-N 1 2 278.356 1.289 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CC(OCC)OCC)CC1 ZINC001181792436 917374490 /nfs/dbraw/zinc/37/44/90/917374490.db2.gz YPSFRAFAYQGZKY-UHFFFAOYSA-N 1 2 270.373 1.106 20 30 CDEDLO CC(C)(C)OC(=O)[C@H]([NH3+])C1CN([C@H]2CC[C@H](C#N)C2)C1 ZINC001254653821 936436254 /nfs/dbraw/zinc/43/62/54/936436254.db2.gz QEHBWAWXBHKXMS-WCFLWFBJSA-N 1 2 279.384 1.279 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@H]([NH2+]Cc2nc(C)no2)[C@@H](C)C1 ZINC001054977108 936480265 /nfs/dbraw/zinc/48/02/65/936480265.db2.gz UHOSHRJSBRFICO-JQWIXIFHSA-N 1 2 292.383 1.527 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2cnc3ccccn23)CC1 ZINC001182837280 918172525 /nfs/dbraw/zinc/17/25/25/918172525.db2.gz YNLKQKGXZHRUFF-UHFFFAOYSA-N 1 2 284.363 1.207 20 30 CDEDLO N#Cc1cccc([C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CCO2)c1 ZINC000831413306 936509607 /nfs/dbraw/zinc/50/96/07/936509607.db2.gz CBFSMYIJEZZDHX-CQSZACIVSA-N 1 2 296.330 1.424 20 30 CDEDLO CC(=O)NC[C@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107664830 918581731 /nfs/dbraw/zinc/58/17/31/918581731.db2.gz YDQXOTAICWEHMR-MRXNPFEDSA-N 1 2 287.363 1.285 20 30 CDEDLO CC(=O)NC[C@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107664830 918581745 /nfs/dbraw/zinc/58/17/45/918581745.db2.gz YDQXOTAICWEHMR-MRXNPFEDSA-N 1 2 287.363 1.285 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)cc1OC ZINC001138343544 936523004 /nfs/dbraw/zinc/52/30/04/936523004.db2.gz LYAGMCDDLISXOV-INIZCTEOSA-N 1 2 293.338 1.614 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CC[C@@](F)(CO)C2)cc1OC ZINC001138343544 936523005 /nfs/dbraw/zinc/52/30/05/936523005.db2.gz LYAGMCDDLISXOV-INIZCTEOSA-N 1 2 293.338 1.614 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2occc2C)C1 ZINC001107738060 918718663 /nfs/dbraw/zinc/71/86/63/918718663.db2.gz OMCNIUXHLLHWII-OAHLLOKOSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2occc2C)C1 ZINC001107738060 918718671 /nfs/dbraw/zinc/71/86/71/918718671.db2.gz OMCNIUXHLLHWII-OAHLLOKOSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ncccc2C)C1 ZINC001107854228 918898596 /nfs/dbraw/zinc/89/85/96/918898596.db2.gz CMCLDUIPDNTTSQ-MRXNPFEDSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ncccc2C)C1 ZINC001107854228 918898610 /nfs/dbraw/zinc/89/86/10/918898610.db2.gz CMCLDUIPDNTTSQ-MRXNPFEDSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)SC)C1 ZINC001107872830 918949529 /nfs/dbraw/zinc/94/95/29/918949529.db2.gz UDCKVTXJQZRVCE-JSGCOSHPSA-N 1 2 286.441 1.521 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)SC)C1 ZINC001107872830 918949535 /nfs/dbraw/zinc/94/95/35/918949535.db2.gz UDCKVTXJQZRVCE-JSGCOSHPSA-N 1 2 286.441 1.521 20 30 CDEDLO C=C(CC(=O)OCCCC)C(=O)NCCc1cn(C)c[nH+]1 ZINC001184312019 919022533 /nfs/dbraw/zinc/02/25/33/919022533.db2.gz KCDXUPLYIGUFDG-UHFFFAOYSA-N 1 2 293.367 1.368 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(F)nc1 ZINC001050843534 936565835 /nfs/dbraw/zinc/56/58/35/936565835.db2.gz FFLUAIFEKYLMNE-CYBMUJFWSA-N 1 2 293.342 1.227 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(F)nc1 ZINC001050843534 936565838 /nfs/dbraw/zinc/56/58/38/936565838.db2.gz FFLUAIFEKYLMNE-CYBMUJFWSA-N 1 2 293.342 1.227 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccncc1OC(C)C ZINC001032539253 919356380 /nfs/dbraw/zinc/35/63/80/919356380.db2.gz NNYVGFMAGGCALU-KBPBESRZSA-N 1 2 299.374 1.401 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccncc1OC(C)C ZINC001032539253 919356396 /nfs/dbraw/zinc/35/63/96/919356396.db2.gz NNYVGFMAGGCALU-KBPBESRZSA-N 1 2 299.374 1.401 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnoc1CC ZINC001032659125 919691102 /nfs/dbraw/zinc/69/11/02/919691102.db2.gz MZMBKGRKGAPZIR-QWRGUYRKSA-N 1 2 261.325 1.322 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnoc1CC ZINC001032659125 919691113 /nfs/dbraw/zinc/69/11/13/919691113.db2.gz MZMBKGRKGAPZIR-QWRGUYRKSA-N 1 2 261.325 1.322 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccccc1F ZINC001032672006 919702870 /nfs/dbraw/zinc/70/28/70/919702870.db2.gz IVXNFWPWQZZSRS-DARAHFNDSA-N 1 2 298.361 1.848 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccccc1F ZINC001032672006 919702885 /nfs/dbraw/zinc/70/28/85/919702885.db2.gz IVXNFWPWQZZSRS-DARAHFNDSA-N 1 2 298.361 1.848 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc([C@H](C)CC)no2)CC1 ZINC000162786492 919877979 /nfs/dbraw/zinc/87/79/79/919877979.db2.gz POHMDKXTCDSJDE-CYBMUJFWSA-N 1 2 289.379 1.969 20 30 CDEDLO C=CCn1cc(C[N@@H+](CC(=O)OC)C2CCCC2)cn1 ZINC001139772571 936645840 /nfs/dbraw/zinc/64/58/40/936645840.db2.gz LCSIRUDUWPEBPY-UHFFFAOYSA-N 1 2 277.368 1.987 20 30 CDEDLO C=CCn1cc(C[N@H+](CC(=O)OC)C2CCCC2)cn1 ZINC001139772571 936645841 /nfs/dbraw/zinc/64/58/41/936645841.db2.gz LCSIRUDUWPEBPY-UHFFFAOYSA-N 1 2 277.368 1.987 20 30 CDEDLO C=CCn1cc(CN2CC([N@H+]3CCOC(C)(C)C3)C2)cn1 ZINC001139772974 936645907 /nfs/dbraw/zinc/64/59/07/936645907.db2.gz VWROQJSOQSTOLL-UHFFFAOYSA-N 1 2 290.411 1.364 20 30 CDEDLO C=CCn1cc(CN2CC([N@@H+]3CCOC(C)(C)C3)C2)cn1 ZINC001139772974 936645909 /nfs/dbraw/zinc/64/59/09/936645909.db2.gz VWROQJSOQSTOLL-UHFFFAOYSA-N 1 2 290.411 1.364 20 30 CDEDLO CN1CCO[C@H]2C[N@H+](Cc3cc(F)cc(C#N)c3)C[C@H]21 ZINC001139877914 936655922 /nfs/dbraw/zinc/65/59/22/936655922.db2.gz YGMODSMCIIWJEZ-CABCVRRESA-N 1 2 275.327 1.212 20 30 CDEDLO CN1CCO[C@H]2C[N@@H+](Cc3cc(F)cc(C#N)c3)C[C@H]21 ZINC001139877914 936655923 /nfs/dbraw/zinc/65/59/23/936655923.db2.gz YGMODSMCIIWJEZ-CABCVRRESA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3cc(F)cc(C#N)c3)C[C@H]21 ZINC001139877914 936655925 /nfs/dbraw/zinc/65/59/25/936655925.db2.gz YGMODSMCIIWJEZ-CABCVRRESA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3cc(F)cc(C#N)c3)C[C@H]21 ZINC001139877914 936655927 /nfs/dbraw/zinc/65/59/27/936655927.db2.gz YGMODSMCIIWJEZ-CABCVRRESA-N 1 2 275.327 1.212 20 30 CDEDLO COC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001140136252 936681841 /nfs/dbraw/zinc/68/18/41/936681841.db2.gz QRDQQGDCUMVJGZ-UHFFFAOYSA-N 1 2 291.326 1.971 20 30 CDEDLO COC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001140136252 936681842 /nfs/dbraw/zinc/68/18/42/936681842.db2.gz QRDQQGDCUMVJGZ-UHFFFAOYSA-N 1 2 291.326 1.971 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2oc(C(C)C)nc2C)[C@@H](O)C1 ZINC001083846401 921957767 /nfs/dbraw/zinc/95/77/67/921957767.db2.gz WVFGBURUSDKQNV-NEPJUHHUSA-N 1 2 293.367 1.067 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2oc(C(C)C)nc2C)[C@@H](O)C1 ZINC001083846401 921957776 /nfs/dbraw/zinc/95/77/76/921957776.db2.gz WVFGBURUSDKQNV-NEPJUHHUSA-N 1 2 293.367 1.067 20 30 CDEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccccn3)CC2)cn1 ZINC001140542021 936722523 /nfs/dbraw/zinc/72/25/23/936722523.db2.gz YHQLAYFVIRXCFG-UHFFFAOYSA-N 1 2 293.374 1.666 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(C(=O)NC(C)C)cc2)CC1 ZINC001140619078 936731691 /nfs/dbraw/zinc/73/16/91/936731691.db2.gz KKDHYMQFJHAERT-UHFFFAOYSA-N 1 2 299.418 1.576 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cncs2)C1 ZINC001033763432 922349695 /nfs/dbraw/zinc/34/96/95/922349695.db2.gz PRBPIYOGCSWZHV-LLVKDONJSA-N 1 2 263.366 1.313 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cncs2)C1 ZINC001033763432 922349708 /nfs/dbraw/zinc/34/97/08/922349708.db2.gz PRBPIYOGCSWZHV-LLVKDONJSA-N 1 2 263.366 1.313 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccnn2C)C1 ZINC001033769280 922359951 /nfs/dbraw/zinc/35/99/51/922359951.db2.gz HSULAYOFPYZALG-LBPRGKRZSA-N 1 2 296.802 1.709 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccnn2C)C1 ZINC001033769280 922359965 /nfs/dbraw/zinc/35/99/65/922359965.db2.gz HSULAYOFPYZALG-LBPRGKRZSA-N 1 2 296.802 1.709 20 30 CDEDLO C#CC[N@H+]1CCCC[C@@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001034287057 922579636 /nfs/dbraw/zinc/57/96/36/922579636.db2.gz MSFCHXXSCCOBBH-GFCCVEGCSA-N 1 2 286.379 1.116 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001034287057 922579641 /nfs/dbraw/zinc/57/96/41/922579641.db2.gz MSFCHXXSCCOBBH-GFCCVEGCSA-N 1 2 286.379 1.116 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(C)CCC2)C1 ZINC001108130027 922666484 /nfs/dbraw/zinc/66/64/84/922666484.db2.gz RXJMXRDRRGZSFG-OAHLLOKOSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2(C)CCC2)C1 ZINC001108130027 922666497 /nfs/dbraw/zinc/66/64/97/922666497.db2.gz RXJMXRDRRGZSFG-OAHLLOKOSA-N 1 2 266.385 1.570 20 30 CDEDLO C#CC[NH+](CC#C)Cc1c(O)cc(OC)cc1OC ZINC001141030831 936794741 /nfs/dbraw/zinc/79/47/41/936794741.db2.gz MTMMYUFTVQEYGM-UHFFFAOYSA-N 1 2 259.305 1.478 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001035488991 922990804 /nfs/dbraw/zinc/99/08/04/922990804.db2.gz QFCXDUUMFYBERE-CHWSQXEVSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001035488991 922990816 /nfs/dbraw/zinc/99/08/16/922990816.db2.gz QFCXDUUMFYBERE-CHWSQXEVSA-N 1 2 266.385 1.426 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)/C=C(\C)C2CC2)[C@H](O)C1 ZINC001099715848 936802601 /nfs/dbraw/zinc/80/26/01/936802601.db2.gz LQQCOAPDXUGDGA-QZVITLNNSA-N 1 2 298.814 1.647 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)/C=C(\C)C2CC2)[C@H](O)C1 ZINC001099715848 936802604 /nfs/dbraw/zinc/80/26/04/936802604.db2.gz LQQCOAPDXUGDGA-QZVITLNNSA-N 1 2 298.814 1.647 20 30 CDEDLO C[C@@]1(CO)C[N@H+](Cc2ccc(F)cc2C#N)CC[C@H]1O ZINC001141164345 936823497 /nfs/dbraw/zinc/82/34/97/936823497.db2.gz YTYFOHQKKMMQLM-CABCVRRESA-N 1 2 278.327 1.263 20 30 CDEDLO C[C@@]1(CO)C[N@@H+](Cc2ccc(F)cc2C#N)CC[C@H]1O ZINC001141164345 936823499 /nfs/dbraw/zinc/82/34/99/936823499.db2.gz YTYFOHQKKMMQLM-CABCVRRESA-N 1 2 278.327 1.263 20 30 CDEDLO C[C@H](C#N)S(=O)(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC001193098066 923440318 /nfs/dbraw/zinc/44/03/18/923440318.db2.gz XRZNWJRZDDWFGE-SNVBAGLBSA-N 1 2 276.321 1.526 20 30 CDEDLO N#Cc1cc(C(=O)NCc2[nH+]cn3ccccc23)ccc1O ZINC001193518846 923766801 /nfs/dbraw/zinc/76/68/01/923766801.db2.gz HQPQKVLAKXAJQV-UHFFFAOYSA-N 1 2 292.298 1.842 20 30 CDEDLO C=CCCC(=O)N1CCC[N@@H+](CC(=O)NCC(C)C)CC1 ZINC001195226924 924505364 /nfs/dbraw/zinc/50/53/64/924505364.db2.gz YKVOZUOXVWEEQK-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO C=CCCC(=O)N1CCC[N@H+](CC(=O)NCC(C)C)CC1 ZINC001195226924 924505371 /nfs/dbraw/zinc/50/53/71/924505371.db2.gz YKVOZUOXVWEEQK-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2sccc2CC)[C@H](OC)C1 ZINC001082383153 924911350 /nfs/dbraw/zinc/91/13/50/924911350.db2.gz KNRJPFVUNLLAKI-CHWSQXEVSA-N 1 2 292.404 1.373 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2sccc2CC)[C@H](OC)C1 ZINC001082383153 924911355 /nfs/dbraw/zinc/91/13/55/924911355.db2.gz KNRJPFVUNLLAKI-CHWSQXEVSA-N 1 2 292.404 1.373 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001196853852 925002795 /nfs/dbraw/zinc/00/27/95/925002795.db2.gz MIPVIEOUWOXWQA-KBPBESRZSA-N 1 2 295.427 1.067 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001196853852 925002801 /nfs/dbraw/zinc/00/28/01/925002801.db2.gz MIPVIEOUWOXWQA-KBPBESRZSA-N 1 2 295.427 1.067 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C)o3)[C@H]2C1 ZINC001082991316 925062433 /nfs/dbraw/zinc/06/24/33/925062433.db2.gz JWFGAAJLNHRTST-DZGCQCFKSA-N 1 2 288.347 1.137 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C)o3)[C@H]2C1 ZINC001082991316 925062442 /nfs/dbraw/zinc/06/24/42/925062442.db2.gz JWFGAAJLNHRTST-DZGCQCFKSA-N 1 2 288.347 1.137 20 30 CDEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)CCC)c1nccn12 ZINC001101604169 936993958 /nfs/dbraw/zinc/99/39/58/936993958.db2.gz ONSFSJHPWHDZKQ-ZDUSSCGKSA-N 1 2 286.379 1.278 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(F)nc2)C1=O ZINC001273241767 925493077 /nfs/dbraw/zinc/49/30/77/925493077.db2.gz PEMRXMKLJBKIID-MRXNPFEDSA-N 1 2 287.338 1.421 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(F)nc2)C1=O ZINC001273241767 925493082 /nfs/dbraw/zinc/49/30/82/925493082.db2.gz PEMRXMKLJBKIID-MRXNPFEDSA-N 1 2 287.338 1.421 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)CCNc1ccc(C#N)nc1 ZINC001101718183 937004065 /nfs/dbraw/zinc/00/40/65/937004065.db2.gz LLPQKYHORRDVAY-UHFFFAOYSA-N 1 2 298.350 1.098 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cn(CC)nc2C)nn1 ZINC001119972383 925582987 /nfs/dbraw/zinc/58/29/87/925582987.db2.gz VWGDBZALZFOBKJ-UHFFFAOYSA-N 1 2 260.345 1.279 20 30 CDEDLO CN(CCNc1ccc(C#N)cn1)C(=O)CCc1c[nH]c[nH+]1 ZINC001102021417 937037183 /nfs/dbraw/zinc/03/71/83/937037183.db2.gz KRANOLOLVUNAPG-UHFFFAOYSA-N 1 2 298.350 1.179 20 30 CDEDLO CN(CCNc1ccc(C#N)cn1)C(=O)CCc1c[nH+]c[nH]1 ZINC001102021417 937037185 /nfs/dbraw/zinc/03/71/85/937037185.db2.gz KRANOLOLVUNAPG-UHFFFAOYSA-N 1 2 298.350 1.179 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C)nc1 ZINC001085488481 926059884 /nfs/dbraw/zinc/05/98/84/926059884.db2.gz ZUOLBMMYKOTHIL-AWEZNQCLSA-N 1 2 257.337 1.170 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C)nc1 ZINC001085488481 926059891 /nfs/dbraw/zinc/05/98/91/926059891.db2.gz ZUOLBMMYKOTHIL-AWEZNQCLSA-N 1 2 257.337 1.170 20 30 CDEDLO CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)c1c[nH]c(C#N)c1 ZINC001085555801 926146762 /nfs/dbraw/zinc/14/67/62/926146762.db2.gz AIDSWOQRKDMOSI-LBPRGKRZSA-N 1 2 264.304 1.002 20 30 CDEDLO CN(C[C@@H]1CC[N@H+]1CCF)C(=O)c1c[nH]c(C#N)c1 ZINC001085555801 926146770 /nfs/dbraw/zinc/14/67/70/926146770.db2.gz AIDSWOQRKDMOSI-LBPRGKRZSA-N 1 2 264.304 1.002 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2cnccc2o1 ZINC001085697218 926291878 /nfs/dbraw/zinc/29/18/78/926291878.db2.gz FYEVYUHLBKVITF-ZDUSSCGKSA-N 1 2 283.331 1.607 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2cnccc2o1 ZINC001085697218 926291891 /nfs/dbraw/zinc/29/18/91/926291891.db2.gz FYEVYUHLBKVITF-ZDUSSCGKSA-N 1 2 283.331 1.607 20 30 CDEDLO C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(CCC)[nH]n1 ZINC001085755052 926355890 /nfs/dbraw/zinc/35/58/90/926355890.db2.gz VUWRQKKTGJTJQN-AWEZNQCLSA-N 1 2 288.395 1.532 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(CCC)nc1C ZINC001085893280 926484317 /nfs/dbraw/zinc/48/43/17/926484317.db2.gz WSOUALAQEFWAHQ-AWEZNQCLSA-N 1 2 288.395 1.381 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn(CCC)nc1C ZINC001085893280 926484318 /nfs/dbraw/zinc/48/43/18/926484318.db2.gz WSOUALAQEFWAHQ-AWEZNQCLSA-N 1 2 288.395 1.381 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ncccc1OCC=C ZINC001085915628 926505497 /nfs/dbraw/zinc/50/54/97/926505497.db2.gz GMRRQRPRDFAFSR-CQSZACIVSA-N 1 2 299.374 1.426 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncccc1OCC=C ZINC001085915628 926505501 /nfs/dbraw/zinc/50/55/01/926505501.db2.gz GMRRQRPRDFAFSR-CQSZACIVSA-N 1 2 299.374 1.426 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(C(C)C)nc1C ZINC001085921009 926506687 /nfs/dbraw/zinc/50/66/87/926506687.db2.gz QOEYTYZVOWXGDH-AWEZNQCLSA-N 1 2 288.395 1.552 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn(C(C)C)nc1C ZINC001085921009 926506698 /nfs/dbraw/zinc/50/66/98/926506698.db2.gz QOEYTYZVOWXGDH-AWEZNQCLSA-N 1 2 288.395 1.552 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1sccc1OC ZINC001085935675 926520741 /nfs/dbraw/zinc/52/07/41/926520741.db2.gz LEAXBBQRKCRKAP-NSHDSACASA-N 1 2 278.377 1.536 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1sccc1OC ZINC001085935675 926520748 /nfs/dbraw/zinc/52/07/48/926520748.db2.gz LEAXBBQRKCRKAP-NSHDSACASA-N 1 2 278.377 1.536 20 30 CDEDLO CC[C@H](CNC(=O)Cn1cc[nH+]c1)Nc1ncccc1C#N ZINC001103117837 937123380 /nfs/dbraw/zinc/12/33/80/937123380.db2.gz MGLUPYMIJMVRPJ-CYBMUJFWSA-N 1 2 298.350 1.157 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cncn2C)C1 ZINC001490445286 927162975 /nfs/dbraw/zinc/16/29/75/927162975.db2.gz JEVWKQLGQLTFSJ-CYBMUJFWSA-N 1 2 290.411 1.713 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cncn2C)C1 ZINC001490445286 927162984 /nfs/dbraw/zinc/16/29/84/927162984.db2.gz JEVWKQLGQLTFSJ-CYBMUJFWSA-N 1 2 290.411 1.713 20 30 CDEDLO C=C[C@@H]1C[C@]1([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)OCC ZINC001168983661 927570365 /nfs/dbraw/zinc/57/03/65/927570365.db2.gz KIPBYPBJLKSPFN-NRWUCQMLSA-N 1 2 282.340 1.529 20 30 CDEDLO C=CCO[C@H](C)C(=O)NC[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001104005906 937184437 /nfs/dbraw/zinc/18/44/37/937184437.db2.gz OJPGYOIUUCGGAE-NWDGAFQWSA-N 1 2 292.383 1.540 20 30 CDEDLO COC(=O)NC1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000852771218 927867963 /nfs/dbraw/zinc/86/79/63/927867963.db2.gz LJTJSOVQYYDQON-NSHDSACASA-N 1 2 264.329 1.250 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cncnc2)C1 ZINC001137672438 937225785 /nfs/dbraw/zinc/22/57/85/937225785.db2.gz GVJAIZRDQDJTQY-CYBMUJFWSA-N 1 2 276.340 1.353 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cncnc2)C1 ZINC001137672438 937225789 /nfs/dbraw/zinc/22/57/89/937225789.db2.gz GVJAIZRDQDJTQY-CYBMUJFWSA-N 1 2 276.340 1.353 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N[C@@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001108922621 928724635 /nfs/dbraw/zinc/72/46/35/928724635.db2.gz BICKBAJVCSLJII-NHYWBVRUSA-N 1 2 292.383 1.053 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC(C)C)C2 ZINC001109026695 928768795 /nfs/dbraw/zinc/76/87/95/928768795.db2.gz AJFXLKNIBMILRX-AGIUHOORSA-N 1 2 286.803 1.885 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC(C)C)C2 ZINC001109026695 928768802 /nfs/dbraw/zinc/76/88/02/928768802.db2.gz AJFXLKNIBMILRX-AGIUHOORSA-N 1 2 286.803 1.885 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3n[nH]cc3c2F)CC1 ZINC001151836160 937309560 /nfs/dbraw/zinc/30/95/60/937309560.db2.gz TYCYOXBFJLOLIV-UHFFFAOYSA-N 1 2 288.326 1.646 20 30 CDEDLO CC(C)COCC[NH+]1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001112837005 929481130 /nfs/dbraw/zinc/48/11/30/929481130.db2.gz PJBHGAQUYNRRKU-UHFFFAOYSA-N 1 2 294.439 1.853 20 30 CDEDLO C=CCCC(=O)NCCOCCCNc1cc[nH+]c(C)n1 ZINC001115389360 929536330 /nfs/dbraw/zinc/53/63/30/929536330.db2.gz AGCJLETWAFLBCM-UHFFFAOYSA-N 1 2 292.383 1.686 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)[C@H](C)COC)CC1 ZINC001112944928 929594382 /nfs/dbraw/zinc/59/43/82/929594382.db2.gz PYDLSGZUMOTXOR-OLZOCXBDSA-N 1 2 254.374 1.235 20 30 CDEDLO C[C@@H](C[C@H](C)NC(=O)c1cccc2[nH+]ccn21)NCC#N ZINC001134968664 929983431 /nfs/dbraw/zinc/98/34/31/929983431.db2.gz FMLCLQUIMNOHNG-RYUDHWBXSA-N 1 2 285.351 1.344 20 30 CDEDLO Oc1c(F)cc(C=NNCCC[NH+]2CCOCC2)cc1F ZINC000799490325 937390264 /nfs/dbraw/zinc/39/02/64/937390264.db2.gz YSWAENGEZHRRQN-UHFFFAOYSA-N 1 2 299.321 1.316 20 30 CDEDLO C#C[C@H](C)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883771011 930266046 /nfs/dbraw/zinc/26/60/46/930266046.db2.gz ISCKQNBOPLDCGH-ZFWWWQNUSA-N 1 2 282.347 1.945 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ncn3ccccc23)CC1 ZINC001153037147 937413279 /nfs/dbraw/zinc/41/32/79/937413279.db2.gz ONIWBPFMQFTOPT-UHFFFAOYSA-N 1 2 270.336 1.278 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C(C)C)C1CCC1 ZINC000884151987 930460110 /nfs/dbraw/zinc/46/01/10/930460110.db2.gz ZHUWFPSJGNOMNH-LBPRGKRZSA-N 1 2 268.357 1.223 20 30 CDEDLO C=C(Br)CNC(=O)C[NH+]1CCC(C)CC1 ZINC000135052542 930597788 /nfs/dbraw/zinc/59/77/88/930597788.db2.gz IOQAEIKKJHGBPD-UHFFFAOYSA-N 1 2 275.190 1.743 20 30 CDEDLO C#CCC1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCC1 ZINC000886797783 930961857 /nfs/dbraw/zinc/96/18/57/930961857.db2.gz AWVKSVNLVCKPCB-GFCCVEGCSA-N 1 2 257.337 1.508 20 30 CDEDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1c(F)cccc1C#N ZINC001275015815 931634176 /nfs/dbraw/zinc/63/41/76/931634176.db2.gz UPCNWVGEDZOUOT-PHIMTYICSA-N 1 2 259.284 1.226 20 30 CDEDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1c(F)cccc1C#N ZINC001275015815 931634180 /nfs/dbraw/zinc/63/41/80/931634180.db2.gz UPCNWVGEDZOUOT-PHIMTYICSA-N 1 2 259.284 1.226 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)NCC3CC(NCC#N)C3)ccn12 ZINC001091032398 931726038 /nfs/dbraw/zinc/72/60/38/931726038.db2.gz ZSPNZSOAQYNBPF-UHFFFAOYSA-N 1 2 297.362 1.264 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC001412011284 932210547 /nfs/dbraw/zinc/21/05/47/932210547.db2.gz JHUDJAJKCHAGLV-UHFFFAOYSA-N 1 2 296.330 1.422 20 30 CDEDLO C#CC[N@H+](C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000932391980 933704811 /nfs/dbraw/zinc/70/48/11/933704811.db2.gz VFAGMBYPDZHBJX-HNNXBMFYSA-N 1 2 295.404 1.467 20 30 CDEDLO C#CC[N@@H+](C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000932391980 933704819 /nfs/dbraw/zinc/70/48/19/933704819.db2.gz VFAGMBYPDZHBJX-HNNXBMFYSA-N 1 2 295.404 1.467 20 30 CDEDLO C=CCN1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1=O ZINC000935797386 934134964 /nfs/dbraw/zinc/13/49/64/934134964.db2.gz RDJLDPSKZKOFKQ-AWEZNQCLSA-N 1 2 298.346 1.422 20 30 CDEDLO CC#CCCCC(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001098192354 934483038 /nfs/dbraw/zinc/48/30/38/934483038.db2.gz RMAHYPXVYQMKRI-GFCCVEGCSA-N 1 2 274.368 1.895 20 30 CDEDLO N#C[C@H]1CN(Cc2cccc3c[nH+]cn32)CCC1=O ZINC001238114774 945074850 /nfs/dbraw/zinc/07/48/50/945074850.db2.gz VYSICUUQSDHAEV-NSHDSACASA-N 1 2 254.293 1.249 20 30 CDEDLO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001009488969 935427119 /nfs/dbraw/zinc/42/71/19/935427119.db2.gz QAYFESGYLJYKME-CYBMUJFWSA-N 1 2 299.378 1.728 20 30 CDEDLO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001009488969 935427121 /nfs/dbraw/zinc/42/71/21/935427121.db2.gz QAYFESGYLJYKME-CYBMUJFWSA-N 1 2 299.378 1.728 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2[nH]ccc2C)C1 ZINC001010835535 935472067 /nfs/dbraw/zinc/47/20/67/935472067.db2.gz ULVXCLHJJRHTTL-LLVKDONJSA-N 1 2 267.760 1.880 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]ccc2C)C1 ZINC001010835535 935472070 /nfs/dbraw/zinc/47/20/70/935472070.db2.gz ULVXCLHJJRHTTL-LLVKDONJSA-N 1 2 267.760 1.880 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2sc3nccn3c2C)C1 ZINC001014763950 935549250 /nfs/dbraw/zinc/54/92/50/935549250.db2.gz HJZPMONJVFRASF-LLVKDONJSA-N 1 2 288.376 1.142 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2sc3nccn3c2C)C1 ZINC001014763950 935549253 /nfs/dbraw/zinc/54/92/53/935549253.db2.gz HJZPMONJVFRASF-LLVKDONJSA-N 1 2 288.376 1.142 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001016313327 935610467 /nfs/dbraw/zinc/61/04/67/935610467.db2.gz HIVQZEXWAGXMOI-GFCCVEGCSA-N 1 2 267.760 1.500 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001016313327 935610469 /nfs/dbraw/zinc/61/04/69/935610469.db2.gz HIVQZEXWAGXMOI-GFCCVEGCSA-N 1 2 267.760 1.500 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](OC)C1 ZINC001017674866 935646110 /nfs/dbraw/zinc/64/61/10/935646110.db2.gz CSXSDNRGOQVQKO-XQLPTFJDSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](OC)C1 ZINC001017674866 935646113 /nfs/dbraw/zinc/64/61/13/935646113.db2.gz CSXSDNRGOQVQKO-XQLPTFJDSA-N 1 2 276.380 1.110 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2ccccc2n1 ZINC001038351931 935742641 /nfs/dbraw/zinc/74/26/41/935742641.db2.gz XYKRVPCYKOXIQR-ZDUSSCGKSA-N 1 2 294.358 1.457 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2ccccc2n1 ZINC001038351931 935742643 /nfs/dbraw/zinc/74/26/43/935742643.db2.gz XYKRVPCYKOXIQR-ZDUSSCGKSA-N 1 2 294.358 1.457 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(C(C)C)nc1C ZINC001038907174 935762468 /nfs/dbraw/zinc/76/24/68/935762468.db2.gz WOMMXYKATRKPRA-ZDUSSCGKSA-N 1 2 274.368 1.210 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C(C)C)nc1C ZINC001038907174 935762470 /nfs/dbraw/zinc/76/24/70/935762470.db2.gz WOMMXYKATRKPRA-ZDUSSCGKSA-N 1 2 274.368 1.210 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2onc3c2CCCC3)C1 ZINC001043332557 935836858 /nfs/dbraw/zinc/83/68/58/935836858.db2.gz RPKBHTCLOPTFGI-UHFFFAOYSA-N 1 2 287.363 1.333 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccc3oc(=O)[nH]c32)C1 ZINC001043362323 935837412 /nfs/dbraw/zinc/83/74/12/935837412.db2.gz RPKDAVREPBDHEH-UHFFFAOYSA-N 1 2 299.330 1.313 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@]2(C)CCC[C@@H]2C)C1 ZINC001043774838 935843670 /nfs/dbraw/zinc/84/36/70/935843670.db2.gz NPISSUDRRDVTQB-XJKSGUPXSA-N 1 2 262.397 1.979 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000800365729 935899435 /nfs/dbraw/zinc/89/94/35/935899435.db2.gz NAPBKCLOEVGECQ-MGPQQGTHSA-N 1 2 293.367 1.036 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000800365729 935899438 /nfs/dbraw/zinc/89/94/38/935899438.db2.gz NAPBKCLOEVGECQ-MGPQQGTHSA-N 1 2 293.367 1.036 20 30 CDEDLO Cn1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3CCCCF)cc1C#N ZINC001278205148 945133648 /nfs/dbraw/zinc/13/36/48/945133648.db2.gz BACOGYWRXMOVOW-IYBDPMFKSA-N 1 2 290.386 1.905 20 30 CDEDLO Cn1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3CCCCF)cc1C#N ZINC001278205148 945133654 /nfs/dbraw/zinc/13/36/54/945133654.db2.gz BACOGYWRXMOVOW-IYBDPMFKSA-N 1 2 290.386 1.905 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnnn2CC)C1 ZINC001046296043 935940168 /nfs/dbraw/zinc/94/01/68/935940168.db2.gz UXRKXLSKRBUZDS-CYBMUJFWSA-N 1 2 297.790 1.245 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnnn2CC)C1 ZINC001046296043 935940170 /nfs/dbraw/zinc/94/01/70/935940170.db2.gz UXRKXLSKRBUZDS-CYBMUJFWSA-N 1 2 297.790 1.245 20 30 CDEDLO C=CCS(=O)(=O)Nc1cccc2[nH+]cn(C)c21 ZINC001259931510 936001475 /nfs/dbraw/zinc/00/14/75/936001475.db2.gz NVSFWTFICODIAZ-UHFFFAOYSA-N 1 2 251.311 1.501 20 30 CDEDLO C[C@@H](C#N)OCC[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000801925092 936016830 /nfs/dbraw/zinc/01/68/30/936016830.db2.gz ZEVBJSWFGUJCQJ-QWRGUYRKSA-N 1 2 279.306 1.483 20 30 CDEDLO CC(C)[C@@H](O)C[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001253770064 936051900 /nfs/dbraw/zinc/05/19/00/936051900.db2.gz ZMSAEDALNZKQCT-AWEZNQCLSA-N 1 2 260.337 1.638 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1scnc1CC)C2 ZINC001097181146 936279412 /nfs/dbraw/zinc/27/94/12/936279412.db2.gz UDPYZFOUJPPTEM-RTXFEEFZSA-N 1 2 289.404 1.674 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1scnc1CC)C2 ZINC001097181146 936279415 /nfs/dbraw/zinc/27/94/15/936279415.db2.gz UDPYZFOUJPPTEM-RTXFEEFZSA-N 1 2 289.404 1.674 20 30 CDEDLO C#Cc1ccc(N2CC[NH+](Cc3cnn(C)c3)CC2)nc1 ZINC001120895465 937845621 /nfs/dbraw/zinc/84/56/21/937845621.db2.gz BPWCAFXEDMGYFR-UHFFFAOYSA-N 1 2 281.363 1.119 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1nccc2c(F)cccc21 ZINC001156319680 938351531 /nfs/dbraw/zinc/35/15/31/938351531.db2.gz AHRWOHZSPJATMO-JTQLQIEISA-N 1 2 256.284 1.676 20 30 CDEDLO C=CCC[NH2+]CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001158470298 938628396 /nfs/dbraw/zinc/62/83/96/938628396.db2.gz ARVWPVLJYAIUNI-MRVPVSSYSA-N 1 2 256.243 1.559 20 30 CDEDLO CC#CC[NH2+]CCCNC(=O)C(F)C(F)(F)F ZINC001158471456 938628185 /nfs/dbraw/zinc/62/81/85/938628185.db2.gz KQBCMOXTPHUDML-MRVPVSSYSA-N 1 2 254.227 1.006 20 30 CDEDLO CC#CC[NH2+]CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001158471456 938628188 /nfs/dbraw/zinc/62/81/88/938628188.db2.gz KQBCMOXTPHUDML-MRVPVSSYSA-N 1 2 254.227 1.006 20 30 CDEDLO C=CCC[NH2+]CCCNC(=O)C(F)C(F)(F)F ZINC001158470298 938628393 /nfs/dbraw/zinc/62/83/93/938628393.db2.gz ARVWPVLJYAIUNI-MRVPVSSYSA-N 1 2 256.243 1.559 20 30 CDEDLO C(#Cc1ccccc1)CNc1cc(N2CCOCC2)nc[nH+]1 ZINC001159370894 938724568 /nfs/dbraw/zinc/72/45/68/938724568.db2.gz NAORLTUZMISLJO-UHFFFAOYSA-N 1 2 294.358 1.777 20 30 CDEDLO C(#Cc1ccccc1)CNc1cc(N2CCOCC2)[nH+]cn1 ZINC001159370894 938724569 /nfs/dbraw/zinc/72/45/69/938724569.db2.gz NAORLTUZMISLJO-UHFFFAOYSA-N 1 2 294.358 1.777 20 30 CDEDLO N#Cc1cc(C#N)c(Nc2nccnc2C[NH3+])nc1Cl ZINC001160246193 938776855 /nfs/dbraw/zinc/77/68/55/938776855.db2.gz OOHZCLCZFHZEFZ-UHFFFAOYSA-N 1 2 285.698 1.471 20 30 CDEDLO Cc1cnc(N[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c(C#N)n1 ZINC001160727215 938821269 /nfs/dbraw/zinc/82/12/69/938821269.db2.gz XRHJBNCVLFUUSQ-OCCSQVGLSA-N 1 2 287.367 1.322 20 30 CDEDLO C#CCCN1CCC[C@@H](Nc2cc(N)cc(Cl)[nH+]2)C1=O ZINC001160897422 938840233 /nfs/dbraw/zinc/84/02/33/938840233.db2.gz DWRCTGIETLSMOO-LLVKDONJSA-N 1 2 292.770 1.743 20 30 CDEDLO C#CCCN1CCC[C@@H](Nc2[nH+]cc(OC)cc2C)C1=O ZINC001160898463 938840475 /nfs/dbraw/zinc/84/04/75/938840475.db2.gz OJHQMMLMDJNXJQ-CQSZACIVSA-N 1 2 287.363 1.825 20 30 CDEDLO C#CC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001161913629 938942618 /nfs/dbraw/zinc/94/26/18/938942618.db2.gz DFHXYNVBPUOMRJ-GFCCVEGCSA-N 1 2 259.353 1.977 20 30 CDEDLO C#CC[NH2+]CC1(CCNC(=O)C(F)C(F)(F)F)CC1 ZINC001164596763 939497732 /nfs/dbraw/zinc/49/77/32/939497732.db2.gz RIKLNDURZWUDHR-SECBINFHSA-N 1 2 280.265 1.396 20 30 CDEDLO C#CC[NH2+]CC1(CCNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001164596763 939497735 /nfs/dbraw/zinc/49/77/35/939497735.db2.gz RIKLNDURZWUDHR-SECBINFHSA-N 1 2 280.265 1.396 20 30 CDEDLO COc1ccc2nc(N3CC[NH2+]C[C@H]3C#N)ccc2c1 ZINC001164640600 939501051 /nfs/dbraw/zinc/50/10/51/939501051.db2.gz BWKRQCHWOVEGHT-GFCCVEGCSA-N 1 2 268.320 1.545 20 30 CDEDLO COC(=O)c1cccc2nc(N3CC[NH2+]C[C@@H]3C#N)ccc21 ZINC001164662207 939502739 /nfs/dbraw/zinc/50/27/39/939502739.db2.gz SLTPWOLPKHWQQH-NSHDSACASA-N 1 2 296.330 1.323 20 30 CDEDLO Cc1cc(N2CC[NH2+]C[C@H]2C#N)nc(-c2ccncc2)n1 ZINC001164662183 939502791 /nfs/dbraw/zinc/50/27/91/939502791.db2.gz SGUVOPXZRQHPBD-CYBMUJFWSA-N 1 2 280.335 1.149 20 30 CDEDLO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001203761093 939703065 /nfs/dbraw/zinc/70/30/65/939703065.db2.gz WGHGYJBUTFNJQV-XYPWUTKMSA-N 1 2 272.348 1.936 20 30 CDEDLO COC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001203761093 939703066 /nfs/dbraw/zinc/70/30/66/939703066.db2.gz WGHGYJBUTFNJQV-XYPWUTKMSA-N 1 2 272.348 1.936 20 30 CDEDLO C=CCOC(=O)c1c(N)nn(-c2ccn3cc[nH+]c3c2)c1N ZINC001204958914 939808317 /nfs/dbraw/zinc/80/83/17/939808317.db2.gz DJJILCJMNCASOD-UHFFFAOYSA-N 1 2 298.306 1.027 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cscn2)C[C@H]1C ZINC001206911528 940110647 /nfs/dbraw/zinc/11/06/47/940110647.db2.gz SUNFTESAUHWGBS-TZMCWYRMSA-N 1 2 291.420 1.883 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cscn2)C[C@H]1C ZINC001206911528 940110651 /nfs/dbraw/zinc/11/06/51/940110651.db2.gz SUNFTESAUHWGBS-TZMCWYRMSA-N 1 2 291.420 1.883 20 30 CDEDLO C=CCN(CC[N@@H+](C)CC(C)=O)C(=O)OC(C)(C)C ZINC001207198647 940165134 /nfs/dbraw/zinc/16/51/34/940165134.db2.gz HUQOYHUWIVLMFM-UHFFFAOYSA-N 1 2 270.373 1.930 20 30 CDEDLO C=CCN(CC[N@H+](C)CC(C)=O)C(=O)OC(C)(C)C ZINC001207198647 940165137 /nfs/dbraw/zinc/16/51/37/940165137.db2.gz HUQOYHUWIVLMFM-UHFFFAOYSA-N 1 2 270.373 1.930 20 30 CDEDLO C=CCN(CC[NH+]1CCN(CC=C)CC1)C(=O)OCC ZINC001209022415 940425241 /nfs/dbraw/zinc/42/52/41/940425241.db2.gz YVLOEPBGBHWTQP-UHFFFAOYSA-N 1 2 281.400 1.435 20 30 CDEDLO C=CCCCC(=O)N1CCC[C@H]([NH2+]Cc2csnn2)C1 ZINC001209335522 940462543 /nfs/dbraw/zinc/46/25/43/940462543.db2.gz NBQMCHFDGSPWKX-LBPRGKRZSA-N 1 2 294.424 1.975 20 30 CDEDLO C=C1CC[NH2+]C[C@@H]1Oc1[nH]c(=O)nc2c(C)cccc21 ZINC001218208731 941044289 /nfs/dbraw/zinc/04/42/89/941044289.db2.gz OVICMMHGGVHLRV-LBPRGKRZSA-N 1 2 271.320 1.941 20 30 CDEDLO C/C(=N\O)c1ccccc1O[C@H]1C[NH2+]CC1(F)F ZINC001218235015 941047889 /nfs/dbraw/zinc/04/78/89/941047889.db2.gz ISCIYJGPWDGWKL-AXLKIAQESA-N 1 2 256.252 1.871 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](CCC)C(C)C)[C@H]2C1 ZINC001218704078 941259731 /nfs/dbraw/zinc/25/97/31/941259731.db2.gz VNSHOECAEWMIOA-HRCADAONSA-N 1 2 292.423 1.604 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](CCC)C(C)C)[C@H]2C1 ZINC001218704078 941259735 /nfs/dbraw/zinc/25/97/35/941259735.db2.gz VNSHOECAEWMIOA-HRCADAONSA-N 1 2 292.423 1.604 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001220203506 941424220 /nfs/dbraw/zinc/42/42/20/941424220.db2.gz IHUBJVNMDSIDPB-VAFQMXCQSA-N 1 2 286.803 1.503 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001220203506 941424221 /nfs/dbraw/zinc/42/42/21/941424221.db2.gz IHUBJVNMDSIDPB-VAFQMXCQSA-N 1 2 286.803 1.503 20 30 CDEDLO C=CCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001222071499 941560017 /nfs/dbraw/zinc/56/00/17/941560017.db2.gz BMSZRIGYWYIRAF-JHJVBQTASA-N 1 2 270.348 1.080 20 30 CDEDLO C=CCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001222071499 941560019 /nfs/dbraw/zinc/56/00/19/941560019.db2.gz BMSZRIGYWYIRAF-JHJVBQTASA-N 1 2 270.348 1.080 20 30 CDEDLO C=C(C)CCC(=O)NCC1CC[NH+](Cc2cnon2)CC1 ZINC001223353699 941671874 /nfs/dbraw/zinc/67/18/74/941671874.db2.gz RGMGVXUMARNLKI-UHFFFAOYSA-N 1 2 292.383 1.754 20 30 CDEDLO CC[N@@H+]1CC[C@@H](O/C(=N\O)c2cc(OC)ccc2OC)C1 ZINC001223893167 941705048 /nfs/dbraw/zinc/70/50/48/941705048.db2.gz RQUDNLVEIPONGP-KXEGMRRWSA-N 1 2 294.351 1.950 20 30 CDEDLO CC[N@H+]1CC[C@@H](O/C(=N\O)c2cc(OC)ccc2OC)C1 ZINC001223893167 941705049 /nfs/dbraw/zinc/70/50/49/941705049.db2.gz RQUDNLVEIPONGP-KXEGMRRWSA-N 1 2 294.351 1.950 20 30 CDEDLO Cc1cc(=O)[nH]c(O[C@H](C)C[N+](C)(C)C)c1C#N ZINC001226222836 941969466 /nfs/dbraw/zinc/96/94/66/941969466.db2.gz IBJUZPYICRRECK-SNVBAGLBSA-O 1 2 250.322 1.441 20 30 CDEDLO CC[NH+]1CC(Oc2ccc(C#N)cc2C(=O)OC)C1 ZINC001226303224 941982732 /nfs/dbraw/zinc/98/27/32/941982732.db2.gz OYESSDNYZJHNAC-UHFFFAOYSA-N 1 2 260.293 1.428 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc([N+](=O)[O-])ccc3O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229395713 942463209 /nfs/dbraw/zinc/46/32/09/942463209.db2.gz JZZLUVRFWKOHQK-OTDFPYDRSA-N 1 2 292.291 1.292 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc([N+](=O)[O-])ccc3O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229395713 942463211 /nfs/dbraw/zinc/46/32/11/942463211.db2.gz JZZLUVRFWKOHQK-OTDFPYDRSA-N 1 2 292.291 1.292 20 30 CDEDLO C=CCCNC(=S)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001277399374 942492959 /nfs/dbraw/zinc/49/29/59/942492959.db2.gz LNJZTFTYJPFNSO-UHFFFAOYSA-N 1 2 290.436 1.583 20 30 CDEDLO CCO[C@@H](C)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230519723 942629548 /nfs/dbraw/zinc/62/95/48/942629548.db2.gz WIEFXASUWDLHOS-DZGCQCFKSA-N 1 2 293.411 1.638 20 30 CDEDLO CCO[C@@H](C)C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001230519723 942629550 /nfs/dbraw/zinc/62/95/50/942629550.db2.gz WIEFXASUWDLHOS-DZGCQCFKSA-N 1 2 293.411 1.638 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C1CCCC1 ZINC001230573593 942646327 /nfs/dbraw/zinc/64/63/27/942646327.db2.gz ZVKOTQHFLZZSKL-CQSZACIVSA-N 1 2 293.411 1.012 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CCCC1 ZINC001230573593 942646328 /nfs/dbraw/zinc/64/63/28/942646328.db2.gz ZVKOTQHFLZZSKL-CQSZACIVSA-N 1 2 293.411 1.012 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)CSC(C)C ZINC001230822712 942707674 /nfs/dbraw/zinc/70/76/74/942707674.db2.gz BCLKFGDROCLTGA-AWEZNQCLSA-N 1 2 298.452 1.311 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)CSC(C)C ZINC001230822712 942707678 /nfs/dbraw/zinc/70/76/78/942707678.db2.gz BCLKFGDROCLTGA-AWEZNQCLSA-N 1 2 298.452 1.311 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cnc(C)cn1 ZINC001231179394 942809860 /nfs/dbraw/zinc/80/98/60/942809860.db2.gz SJJRBXKDHCCPOX-HNNXBMFYSA-N 1 2 288.395 1.784 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cnc(C)cn1 ZINC001231179394 942809863 /nfs/dbraw/zinc/80/98/63/942809863.db2.gz SJJRBXKDHCCPOX-HNNXBMFYSA-N 1 2 288.395 1.784 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cnoc1C ZINC001231239362 942830137 /nfs/dbraw/zinc/83/01/37/942830137.db2.gz CHBKUGVLJCUCTD-CQSZACIVSA-N 1 2 293.367 1.218 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cnoc1C ZINC001231239362 942830141 /nfs/dbraw/zinc/83/01/41/942830141.db2.gz CHBKUGVLJCUCTD-CQSZACIVSA-N 1 2 293.367 1.218 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ocnc1C ZINC001231239942 942830152 /nfs/dbraw/zinc/83/01/52/942830152.db2.gz GYMYLSZBLYPSSY-CYBMUJFWSA-N 1 2 293.367 1.218 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ocnc1C ZINC001231239942 942830156 /nfs/dbraw/zinc/83/01/56/942830156.db2.gz GYMYLSZBLYPSSY-CYBMUJFWSA-N 1 2 293.367 1.218 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCCCc1[nH+]ccn1C ZINC001525359067 970949120 /nfs/dbraw/zinc/94/91/20/970949120.db2.gz FYWSPRFMKJOUCI-JSGCOSHPSA-N 1 2 278.352 1.877 20 30 CDEDLO C#Cc1cccc(C[NH+]2CC(N3C[C@H](C)O[C@@H](C)C3)C2)c1 ZINC001231663641 942967662 /nfs/dbraw/zinc/96/76/62/942967662.db2.gz OLTYXMBNUATUKF-GJZGRUSLSA-N 1 2 284.403 1.961 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnc(OCC)c(C)c2)CC1 ZINC001232307430 943211568 /nfs/dbraw/zinc/21/15/68/943211568.db2.gz XRSYBXAZDAHRKD-UHFFFAOYSA-N 1 2 273.380 1.540 20 30 CDEDLO COC[C@H]1Cn2nccc2C[N@H+](Cc2cc(C#N)ccn2)C1 ZINC001232477860 943291043 /nfs/dbraw/zinc/29/10/43/943291043.db2.gz IFCSTGZIJROMTC-CQSZACIVSA-N 1 2 297.362 1.428 20 30 CDEDLO COC[C@H]1Cn2nccc2C[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001232477860 943291049 /nfs/dbraw/zinc/29/10/49/943291049.db2.gz IFCSTGZIJROMTC-CQSZACIVSA-N 1 2 297.362 1.428 20 30 CDEDLO N#Cc1ccnc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c1 ZINC001232480991 943294669 /nfs/dbraw/zinc/29/46/69/943294669.db2.gz PXTITAWYNQCUJE-MRXNPFEDSA-N 1 2 298.390 1.930 20 30 CDEDLO N#Cc1ccnc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c1 ZINC001232480991 943294674 /nfs/dbraw/zinc/29/46/74/943294674.db2.gz PXTITAWYNQCUJE-MRXNPFEDSA-N 1 2 298.390 1.930 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCc3c(=O)[nH]ccc3C2)c1 ZINC001232677824 943359901 /nfs/dbraw/zinc/35/99/01/943359901.db2.gz KQGLELAWNBYERD-UHFFFAOYSA-N 1 2 281.315 1.923 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCc3c(=O)[nH]ccc3C2)c1 ZINC001232677824 943359904 /nfs/dbraw/zinc/35/99/04/943359904.db2.gz KQGLELAWNBYERD-UHFFFAOYSA-N 1 2 281.315 1.923 20 30 CDEDLO C=CC[NH+]1CCN(Cc2ccc(F)c(O)c2F)CC1 ZINC001232934553 943439347 /nfs/dbraw/zinc/43/93/47/943439347.db2.gz AIKOFYBIDGMLGI-UHFFFAOYSA-N 1 2 268.307 1.974 20 30 CDEDLO CO[C@H]1C[N@H+](Cc2ccc(C#N)cc2O)C[C@@H]1F ZINC001233383590 943570546 /nfs/dbraw/zinc/57/05/46/943570546.db2.gz NNNJNFBWSLPQSS-AAEUAGOBSA-N 1 2 250.273 1.433 20 30 CDEDLO CO[C@H]1C[N@@H+](Cc2ccc(C#N)cc2O)C[C@@H]1F ZINC001233383590 943570548 /nfs/dbraw/zinc/57/05/48/943570548.db2.gz NNNJNFBWSLPQSS-AAEUAGOBSA-N 1 2 250.273 1.433 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cccn2cc(C(=O)OCC)nc12 ZINC001233460164 943589616 /nfs/dbraw/zinc/58/96/16/943589616.db2.gz NSEKBXWABRESGV-UHFFFAOYSA-N 1 2 295.342 1.579 20 30 CDEDLO C[N@@H+]1CCOC[C@@H]1CNc1cc(C#N)cc(Cl)n1 ZINC000700241339 944293904 /nfs/dbraw/zinc/29/39/04/944293904.db2.gz AGIQEODIVAAVJC-JTQLQIEISA-N 1 2 266.732 1.349 20 30 CDEDLO C[N@H+]1CCOC[C@@H]1CNc1cc(C#N)cc(Cl)n1 ZINC000700241339 944293913 /nfs/dbraw/zinc/29/39/13/944293913.db2.gz AGIQEODIVAAVJC-JTQLQIEISA-N 1 2 266.732 1.349 20 30 CDEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)Cc1c[nH+]cn1C ZINC001362268829 971095296 /nfs/dbraw/zinc/09/52/96/971095296.db2.gz NDCROKQVSNFPBS-NSHDSACASA-N 1 2 284.319 1.892 20 30 CDEDLO Cc1coc(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)n1 ZINC001237646565 944900621 /nfs/dbraw/zinc/90/06/21/944900621.db2.gz QJYVWYBJJLQNIQ-UHFFFAOYSA-N 1 2 297.362 1.962 20 30 CDEDLO Cc1coc(C[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)n1 ZINC001237646565 944900630 /nfs/dbraw/zinc/90/06/30/944900630.db2.gz QJYVWYBJJLQNIQ-UHFFFAOYSA-N 1 2 297.362 1.962 20 30 CDEDLO CCc1n[nH]cc1C[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC001237655141 944912318 /nfs/dbraw/zinc/91/23/18/944912318.db2.gz OEEAHOASCJJBMN-UHFFFAOYSA-N 1 2 276.340 1.251 20 30 CDEDLO N#Cc1cncnc1-c1cccc(C[NH+]2CCOCC2)c1 ZINC001241815070 946480820 /nfs/dbraw/zinc/48/08/20/946480820.db2.gz MRCMWJNMFVGVDX-UHFFFAOYSA-N 1 2 280.331 1.847 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC001262171287 946490096 /nfs/dbraw/zinc/49/00/96/946490096.db2.gz PVVAGZICMATBQO-AWEZNQCLSA-N 1 2 284.315 1.393 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC001262171287 946490101 /nfs/dbraw/zinc/49/01/01/946490101.db2.gz PVVAGZICMATBQO-AWEZNQCLSA-N 1 2 284.315 1.393 20 30 CDEDLO C#CC[N@@H+]([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCc2ccccc21 ZINC001254338200 947379989 /nfs/dbraw/zinc/37/99/89/947379989.db2.gz XDXQIIVUJJXZHE-GDBMZVCRSA-N 1 2 289.400 1.796 20 30 CDEDLO C#CC[N@H+]([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCc2ccccc21 ZINC001254338200 947380000 /nfs/dbraw/zinc/38/00/00/947380000.db2.gz XDXQIIVUJJXZHE-GDBMZVCRSA-N 1 2 289.400 1.796 20 30 CDEDLO COC[C@@H]1C[N@@H+]([C@H]2CC[C@H](C#N)C2)Cc2nnn(C)c21 ZINC001254658845 947574891 /nfs/dbraw/zinc/57/48/91/947574891.db2.gz JUYBRJSXVTVLIS-SRVKXCTJSA-N 1 2 275.356 1.053 20 30 CDEDLO COC[C@@H]1C[N@H+]([C@H]2CC[C@H](C#N)C2)Cc2nnn(C)c21 ZINC001254658845 947574896 /nfs/dbraw/zinc/57/48/96/947574896.db2.gz JUYBRJSXVTVLIS-SRVKXCTJSA-N 1 2 275.356 1.053 20 30 CDEDLO CCOC(=O)CC[N@H+](CC(=O)OCC)[C@H]1CC[C@H](C#N)C1 ZINC001254669844 947585393 /nfs/dbraw/zinc/58/53/93/947585393.db2.gz WCLGTYQCIZLBMG-STQMWFEESA-N 1 2 296.367 1.497 20 30 CDEDLO CCOC(=O)CC[N@@H+](CC(=O)OCC)[C@H]1CC[C@H](C#N)C1 ZINC001254669844 947585402 /nfs/dbraw/zinc/58/54/02/947585402.db2.gz WCLGTYQCIZLBMG-STQMWFEESA-N 1 2 296.367 1.497 20 30 CDEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1[C@@H]1CCSC1 ZINC001255283841 947804294 /nfs/dbraw/zinc/80/42/94/947804294.db2.gz DCKOPOUIAUFHQJ-YPMHNXCESA-N 1 2 294.424 1.422 20 30 CDEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1[C@@H]1CCSC1 ZINC001255283841 947804307 /nfs/dbraw/zinc/80/43/07/947804307.db2.gz DCKOPOUIAUFHQJ-YPMHNXCESA-N 1 2 294.424 1.422 20 30 CDEDLO C=CC[C@H]1NC(=O)N([C@@H]2CCN(c3cccc[nH+]3)C2)C1=O ZINC001255839844 948112240 /nfs/dbraw/zinc/11/22/40/948112240.db2.gz PDKCDDSCMGSIQU-VXGBXAGGSA-N 1 2 286.335 1.157 20 30 CDEDLO C=C1CC=C(F)C=C1N[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246336981 948114477 /nfs/dbraw/zinc/11/44/77/948114477.db2.gz POHGODSGWIGSCZ-JQWIXIFHSA-N 1 2 252.289 1.177 20 30 CDEDLO COC(=O)C1CCC([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001257861852 948645978 /nfs/dbraw/zinc/64/59/78/948645978.db2.gz LWJUHLVEAWWUIT-GDKBPFBDSA-N 1 2 295.404 1.992 20 30 CDEDLO COC(=O)C1CCC([N@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001257861852 948645982 /nfs/dbraw/zinc/64/59/82/948645982.db2.gz LWJUHLVEAWWUIT-GDKBPFBDSA-N 1 2 295.404 1.992 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@@H]1COc2ccc(Cl)cc2C1 ZINC001257956090 948670419 /nfs/dbraw/zinc/67/04/19/948670419.db2.gz FESPKHHNMOAEFF-QWHCGFSZSA-N 1 2 277.755 1.441 20 30 CDEDLO CC(C)(C)OC[C@H]([NH3+])c1nc(-c2ccc(C#N)cn2)no1 ZINC001247656854 948698207 /nfs/dbraw/zinc/69/82/07/948698207.db2.gz FJLKAJMTBVQQDA-JTQLQIEISA-N 1 2 287.323 1.818 20 30 CDEDLO Cc1nonc1C[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001248859388 949231356 /nfs/dbraw/zinc/23/13/56/949231356.db2.gz RQQJNVNHRUKYQG-UHFFFAOYSA-N 1 2 298.350 1.357 20 30 CDEDLO Cc1nonc1C[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001248859388 949231371 /nfs/dbraw/zinc/23/13/71/949231371.db2.gz RQQJNVNHRUKYQG-UHFFFAOYSA-N 1 2 298.350 1.357 20 30 CDEDLO Cn1cc(C[N@H+](C)Cc2cnn3ccc(C#N)cc23)cn1 ZINC001249082143 949371034 /nfs/dbraw/zinc/37/10/34/949371034.db2.gz ITRCIVNFEPCCKM-UHFFFAOYSA-N 1 2 280.335 1.571 20 30 CDEDLO Cn1cc(C[N@@H+](C)Cc2cnn3ccc(C#N)cc23)cn1 ZINC001249082143 949371057 /nfs/dbraw/zinc/37/10/57/949371057.db2.gz ITRCIVNFEPCCKM-UHFFFAOYSA-N 1 2 280.335 1.571 20 30 CDEDLO N#Cc1ccn2ncc(C[N@@H+]3CCCC4(C3)OCCO4)c2c1 ZINC001249113000 949386796 /nfs/dbraw/zinc/38/67/96/949386796.db2.gz BEZWCTFDGNCDNS-UHFFFAOYSA-N 1 2 298.346 1.545 20 30 CDEDLO N#Cc1ccn2ncc(C[N@H+]3CCCC4(C3)OCCO4)c2c1 ZINC001249113000 949386816 /nfs/dbraw/zinc/38/68/16/949386816.db2.gz BEZWCTFDGNCDNS-UHFFFAOYSA-N 1 2 298.346 1.545 20 30 CDEDLO N#Cc1ccn2ncc(C[N@@H+]3CCn4nccc4C3)c2c1 ZINC001249124969 949406533 /nfs/dbraw/zinc/40/65/33/949406533.db2.gz LCNQWZSUTZMCQP-UHFFFAOYSA-N 1 2 278.319 1.418 20 30 CDEDLO N#Cc1ccn2ncc(C[N@H+]3CCn4nccc4C3)c2c1 ZINC001249124969 949406542 /nfs/dbraw/zinc/40/65/42/949406542.db2.gz LCNQWZSUTZMCQP-UHFFFAOYSA-N 1 2 278.319 1.418 20 30 CDEDLO C=CCOC[C@H](O)C[NH2+]C1(C(=O)OCC)CCCCC1 ZINC001252490405 951359156 /nfs/dbraw/zinc/35/91/56/951359156.db2.gz HKJOGEIIBOZTTF-CYBMUJFWSA-N 1 2 285.384 1.406 20 30 CDEDLO C=CCC[C@H](O)CNc1cc[nH+]c(OCCOC)c1 ZINC001252594180 951486439 /nfs/dbraw/zinc/48/64/39/951486439.db2.gz TZIYYEUDGOTKDP-ZDUSSCGKSA-N 1 2 266.341 1.846 20 30 CDEDLO C=CCC[C@H](O)C[NH2+][C@H](CC(C)C)C(=O)OCC ZINC001252613801 951507982 /nfs/dbraw/zinc/50/79/82/951507982.db2.gz BBFPPANCSQKOKX-QWHCGFSZSA-N 1 2 257.374 1.881 20 30 CDEDLO C=C[C@@H](O)C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC001253584917 951974231 /nfs/dbraw/zinc/97/42/31/951974231.db2.gz SLGDAUPZMRRROE-ZIAGYGMSSA-N 1 2 261.321 1.133 20 30 CDEDLO C=C[C@@H](O)C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC001253584917 951974239 /nfs/dbraw/zinc/97/42/39/951974239.db2.gz SLGDAUPZMRRROE-ZIAGYGMSSA-N 1 2 261.321 1.133 20 30 CDEDLO C=C[C@@H](COC)NC(=O)NCc1c[nH+]c(C)cc1C ZINC001324889530 953623710 /nfs/dbraw/zinc/62/37/10/953623710.db2.gz VNKQEFWGTYPJST-ZDUSSCGKSA-N 1 2 263.341 1.699 20 30 CDEDLO C=C[C@@H](COC)[NH2+]Cc1cn(-c2ccccc2C)nn1 ZINC001325315835 953833646 /nfs/dbraw/zinc/83/36/46/953833646.db2.gz SRXVXGWORMZKPI-ZDUSSCGKSA-N 1 2 272.352 1.866 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cccc(=O)n1C ZINC001422881176 956419835 /nfs/dbraw/zinc/41/98/35/956419835.db2.gz BMTFIQUGYZZKFG-NSHDSACASA-N 1 2 297.786 1.188 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cccc(=O)n1C ZINC001422881176 956419839 /nfs/dbraw/zinc/41/98/39/956419839.db2.gz BMTFIQUGYZZKFG-NSHDSACASA-N 1 2 297.786 1.188 20 30 CDEDLO CCc1ccc(CC[NH+]2CC(NC(=O)[C@@H](C)C#N)C2)cc1 ZINC001494362598 972217578 /nfs/dbraw/zinc/21/75/78/972217578.db2.gz SXVXPAMBNLZLLH-ZDUSSCGKSA-N 1 2 285.391 1.752 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(CC)ccn2)CC1 ZINC001313445402 956864423 /nfs/dbraw/zinc/86/44/23/956864423.db2.gz VPJDIIZGHTYISZ-UHFFFAOYSA-N 1 2 259.353 1.588 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](C)n1cccn1 ZINC001366604723 957026251 /nfs/dbraw/zinc/02/62/51/957026251.db2.gz FUBNLIVLQOVQDU-LBPRGKRZSA-N 1 2 284.791 1.635 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](C)n1cccn1 ZINC001366604723 957026271 /nfs/dbraw/zinc/02/62/71/957026271.db2.gz FUBNLIVLQOVQDU-LBPRGKRZSA-N 1 2 284.791 1.635 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnc(C)n1C ZINC001366630649 957059073 /nfs/dbraw/zinc/05/90/73/957059073.db2.gz UWJUXRMXSJJGNP-UHFFFAOYSA-N 1 2 284.791 1.533 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnc(C)n1C ZINC001366630649 957059079 /nfs/dbraw/zinc/05/90/79/957059079.db2.gz UWJUXRMXSJJGNP-UHFFFAOYSA-N 1 2 284.791 1.533 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(C)=O)cn1 ZINC001332054300 957417156 /nfs/dbraw/zinc/41/71/56/957417156.db2.gz LDRUPISAEVKHGX-ZDUSSCGKSA-N 1 2 286.335 1.076 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(C)=O)cn1 ZINC001332054300 957417162 /nfs/dbraw/zinc/41/71/62/957417162.db2.gz LDRUPISAEVKHGX-ZDUSSCGKSA-N 1 2 286.335 1.076 20 30 CDEDLO C=C(CO)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001332438983 957566112 /nfs/dbraw/zinc/56/61/12/957566112.db2.gz AHKZMUVZOBWTTB-UHFFFAOYSA-N 1 2 261.325 1.033 20 30 CDEDLO Cc1cc(C)c(NC(=O)NCCn2cnc(C#N)n2)c(C)[nH+]1 ZINC001425825133 957622775 /nfs/dbraw/zinc/62/27/75/957622775.db2.gz NZGFFOFWEXKYKR-UHFFFAOYSA-N 1 2 299.338 1.292 20 30 CDEDLO Cn1ncc(C#N)c1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001336545325 960388369 /nfs/dbraw/zinc/38/83/69/960388369.db2.gz LJYULTMPBCIRTL-UHFFFAOYSA-N 1 2 256.313 1.399 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)C[C@@H]1CCOC1)C1CC1 ZINC001418751201 960982125 /nfs/dbraw/zinc/98/21/25/960982125.db2.gz PIFYZLKZMQXSIQ-LBPRGKRZSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)C[C@@H]1CCOC1)C1CC1 ZINC001418751201 960982139 /nfs/dbraw/zinc/98/21/39/960982139.db2.gz PIFYZLKZMQXSIQ-LBPRGKRZSA-N 1 2 286.803 1.746 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3C[C@@H]3C)n2CC=C)CC1 ZINC001340313657 962883933 /nfs/dbraw/zinc/88/39/33/962883933.db2.gz UJHVSFLIWFHCFO-UONOGXRCSA-N 1 2 285.395 1.343 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(C)[nH]c1=O ZINC001440967662 964296720 /nfs/dbraw/zinc/29/67/20/964296720.db2.gz MCLLSELVPWSHPV-LLVKDONJSA-N 1 2 297.786 1.898 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(C)[nH]c1=O ZINC001440967662 964296726 /nfs/dbraw/zinc/29/67/26/964296726.db2.gz MCLLSELVPWSHPV-LLVKDONJSA-N 1 2 297.786 1.898 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc(C)nn1C ZINC001442633113 965152017 /nfs/dbraw/zinc/15/20/17/965152017.db2.gz ALILNGQDMRDZPY-UHFFFAOYSA-N 1 2 284.791 1.533 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc(C)nn1C ZINC001442633113 965152027 /nfs/dbraw/zinc/15/20/27/965152027.db2.gz ALILNGQDMRDZPY-UHFFFAOYSA-N 1 2 284.791 1.533 20 30 CDEDLO C#CCOCCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001348891162 966222002 /nfs/dbraw/zinc/22/20/02/966222002.db2.gz LZEZTMVQERTIFB-UHFFFAOYSA-N 1 2 271.320 1.365 20 30 CDEDLO CCc1ccc([C@H](COC)[NH2+]C[C@H](O)CC#N)o1 ZINC001354595406 968792052 /nfs/dbraw/zinc/79/20/52/968792052.db2.gz UECRWYREUFFENB-PWSUYJOCSA-N 1 2 252.314 1.394 20 30 CDEDLO Cc1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)nn1 ZINC001462013614 969661368 /nfs/dbraw/zinc/66/13/68/969661368.db2.gz LXLMMXBEKQFBFE-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO CC[C@@H](C(=O)N1CC(C)(C#N)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001467644131 970085890 /nfs/dbraw/zinc/08/58/90/970085890.db2.gz XHLXUVQETZJCLM-OLZOCXBDSA-N 1 2 279.384 1.248 20 30 CDEDLO CC[C@@H](C(=O)N1CC(C)(C#N)C1)[N@H+]1CCO[C@H](CC)C1 ZINC001467644131 970085899 /nfs/dbraw/zinc/08/58/99/970085899.db2.gz XHLXUVQETZJCLM-OLZOCXBDSA-N 1 2 279.384 1.248 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H](C)n1cccn1)C1CC1 ZINC001372770015 973128417 /nfs/dbraw/zinc/12/84/17/973128417.db2.gz IJSXKOYFLIATBW-GFCCVEGCSA-N 1 2 296.802 1.777 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H](C)n1cccn1)C1CC1 ZINC001372770015 973128426 /nfs/dbraw/zinc/12/84/26/973128426.db2.gz IJSXKOYFLIATBW-GFCCVEGCSA-N 1 2 296.802 1.777 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CCc2ccon2)C1 ZINC001373679487 973563081 /nfs/dbraw/zinc/56/30/81/973563081.db2.gz QQRFOYHCMVKZNI-ZDUSSCGKSA-N 1 2 297.786 1.892 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CCc2ccon2)C1 ZINC001373679487 973563091 /nfs/dbraw/zinc/56/30/91/973563091.db2.gz QQRFOYHCMVKZNI-ZDUSSCGKSA-N 1 2 297.786 1.892 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cncn1C ZINC001374512243 973991141 /nfs/dbraw/zinc/99/11/41/973991141.db2.gz GMXGTUARXPNXMO-UHFFFAOYSA-N 1 2 270.764 1.176 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cncn1C ZINC001374512243 973991148 /nfs/dbraw/zinc/99/11/48/973991148.db2.gz GMXGTUARXPNXMO-UHFFFAOYSA-N 1 2 270.764 1.176 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1nonc1C ZINC001374547432 974014029 /nfs/dbraw/zinc/01/40/29/974014029.db2.gz FIYOYRVIQBWURE-UHFFFAOYSA-N 1 2 286.763 1.063 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1nonc1C ZINC001374547432 974014037 /nfs/dbraw/zinc/01/40/37/974014037.db2.gz FIYOYRVIQBWURE-UHFFFAOYSA-N 1 2 286.763 1.063 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2nonc2C)C1 ZINC001506665895 975200431 /nfs/dbraw/zinc/20/04/31/975200431.db2.gz CFDZGSQAXRUQLX-VIFPVBQESA-N 1 2 298.774 1.110 20 30 CDEDLO C=C(Cl)CN1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001405079389 975616596 /nfs/dbraw/zinc/61/65/96/975616596.db2.gz STVAGMLQXLVSEG-GFCCVEGCSA-N 1 2 296.802 1.296 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)CCC[N@H+](C)Cc1cscn1 ZINC001380949238 976618133 /nfs/dbraw/zinc/61/81/33/976618133.db2.gz OBIGJGAACZGNJQ-NSHDSACASA-N 1 2 280.397 1.583 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)CCC[N@@H+](C)Cc1cscn1 ZINC001380949238 976618140 /nfs/dbraw/zinc/61/81/40/976618140.db2.gz OBIGJGAACZGNJQ-NSHDSACASA-N 1 2 280.397 1.583 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1coc(C)n1 ZINC001381521100 976891724 /nfs/dbraw/zinc/89/17/24/976891724.db2.gz UDMRGQWFBTUDQB-VIFPVBQESA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1coc(C)n1 ZINC001381521100 976891736 /nfs/dbraw/zinc/89/17/36/976891736.db2.gz UDMRGQWFBTUDQB-VIFPVBQESA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1ccn(C)n1 ZINC001392659078 977534165 /nfs/dbraw/zinc/53/41/65/977534165.db2.gz RXXIUDAWTDQMBB-GFCCVEGCSA-N 1 2 298.818 1.542 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCc1ccn(C)n1 ZINC001392659078 977534172 /nfs/dbraw/zinc/53/41/72/977534172.db2.gz RXXIUDAWTDQMBB-GFCCVEGCSA-N 1 2 298.818 1.542 20 30 CDEDLO C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001588838028 984334704 /nfs/dbraw/zinc/33/47/04/984334704.db2.gz AOOLYHDUTQYYRV-KGYLQXTDSA-N 1 2 252.358 1.336 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001133380421 1163663643 /nfs/dbraw/zinc/66/36/43/1163663643.db2.gz FQDVAHMPIHOKJL-MFKMUULPSA-N 1 2 282.413 1.907 20 30 CDEDLO C=CCC[C@H](NCc1[nH]cc(C)[nH+]1)C(=O)OCC ZINC000600168369 341982440 /nfs/dbraw/zinc/98/24/40/341982440.db2.gz IDDLZSMAKRFYDA-NSHDSACASA-N 1 2 251.330 1.706 20 30 CDEDLO CC(=O)N1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000191908314 342467463 /nfs/dbraw/zinc/46/74/63/342467463.db2.gz UTEBKUXRZJPXQA-UHFFFAOYSA-N 1 2 261.300 1.361 20 30 CDEDLO C[C@@H]1CCN(C(=O)c2cccc(C#N)n2)C[C@H]1n1cc[nH+]c1 ZINC000589450856 342506043 /nfs/dbraw/zinc/50/60/43/342506043.db2.gz QNBJJGPPWIWSRZ-IUODEOHRSA-N 1 2 295.346 1.873 20 30 CDEDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)CC(C)(C)CC#N ZINC000601428174 342561853 /nfs/dbraw/zinc/56/18/53/342561853.db2.gz KGQGVIQVORTYCK-LLVKDONJSA-N 1 2 298.412 1.823 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCOc2ccccc2C1 ZINC000076849377 342037661 /nfs/dbraw/zinc/03/76/61/342037661.db2.gz NXCSLBPURLHQRU-ZDUSSCGKSA-N 1 2 287.363 1.642 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCOc2ccccc2C1 ZINC000076849377 342037662 /nfs/dbraw/zinc/03/76/62/342037662.db2.gz NXCSLBPURLHQRU-ZDUSSCGKSA-N 1 2 287.363 1.642 20 30 CDEDLO N#Cc1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)nc1 ZINC000609132886 342091625 /nfs/dbraw/zinc/09/16/25/342091625.db2.gz PPGDCKYFANERCH-CYBMUJFWSA-N 1 2 253.309 1.991 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000299412227 342105655 /nfs/dbraw/zinc/10/56/55/342105655.db2.gz WBKUWXDMQVSFJH-SOUVJXGZSA-N 1 2 260.381 1.448 20 30 CDEDLO C[C@H](Nc1ncc(C#N)cc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000591150686 342618836 /nfs/dbraw/zinc/61/88/36/342618836.db2.gz MZWFIIXBKHJQEE-CABZTGNLSA-N 1 2 264.304 1.223 20 30 CDEDLO C[C@H](Nc1ncc(C#N)cc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000591150686 342618837 /nfs/dbraw/zinc/61/88/37/342618837.db2.gz MZWFIIXBKHJQEE-CABZTGNLSA-N 1 2 264.304 1.223 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(OC2CCC2)CC1 ZINC000591376805 342629460 /nfs/dbraw/zinc/62/94/60/342629460.db2.gz GFNCPLDVIHVKQY-ZDUSSCGKSA-N 1 2 253.342 1.748 20 30 CDEDLO Cc1cc(CNC(=O)NCC2(C#N)CC2)cc(C)[nH+]1 ZINC000591548578 342635501 /nfs/dbraw/zinc/63/55/01/342635501.db2.gz CAKHHAHRVRCKCO-UHFFFAOYSA-N 1 2 258.325 1.801 20 30 CDEDLO N#Cc1cncc(N2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000591907684 342655728 /nfs/dbraw/zinc/65/57/28/342655728.db2.gz GHKCNKNWZBKOHI-LBPRGKRZSA-N 1 2 254.297 1.386 20 30 CDEDLO CN(C)c1nc(N2CC[C@](O)(CC#N)C2)[nH+]c2ccccc21 ZINC000591975032 342661012 /nfs/dbraw/zinc/66/10/12/342661012.db2.gz QRVVAKVWFFTGAY-MRXNPFEDSA-N 1 2 297.362 1.551 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000592152093 342669060 /nfs/dbraw/zinc/66/90/60/342669060.db2.gz UDMZDCFLWMGVBP-ZDUSSCGKSA-N 1 2 279.271 1.584 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000592152093 342669061 /nfs/dbraw/zinc/66/90/61/342669061.db2.gz UDMZDCFLWMGVBP-ZDUSSCGKSA-N 1 2 279.271 1.584 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1Cc2ccccc21 ZINC000593154470 342774095 /nfs/dbraw/zinc/77/40/95/342774095.db2.gz UIXZROGIJXRGDT-DZGCQCFKSA-N 1 2 257.337 1.286 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000593395121 342794672 /nfs/dbraw/zinc/79/46/72/342794672.db2.gz YNKGIYHPTKGAEJ-CYBMUJFWSA-N 1 2 272.352 1.276 20 30 CDEDLO CC[C@@H](C#N)C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000593444975 342798136 /nfs/dbraw/zinc/79/81/36/342798136.db2.gz DBPVLAHFPUFUSO-VIFPVBQESA-N 1 2 279.344 1.032 20 30 CDEDLO CC[C@@H](C#N)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000593668519 342820559 /nfs/dbraw/zinc/82/05/59/342820559.db2.gz LUFMQXZNEUUMBE-XQQFMLRXSA-N 1 2 267.373 1.104 20 30 CDEDLO CC[C@@H](C#N)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000593668519 342820561 /nfs/dbraw/zinc/82/05/61/342820561.db2.gz LUFMQXZNEUUMBE-XQQFMLRXSA-N 1 2 267.373 1.104 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@](O)(CC#N)C2)c(F)c1 ZINC000593637323 342821194 /nfs/dbraw/zinc/82/11/94/342821194.db2.gz SKMYKLNQQDFTQS-CQSZACIVSA-N 1 2 264.300 1.685 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@](O)(CC#N)C2)c(F)c1 ZINC000593637323 342821196 /nfs/dbraw/zinc/82/11/96/342821196.db2.gz SKMYKLNQQDFTQS-CQSZACIVSA-N 1 2 264.300 1.685 20 30 CDEDLO C=CCCn1cc(C[NH+]2CCC(CC#N)CC2)nn1 ZINC000593972283 342859037 /nfs/dbraw/zinc/85/90/37/342859037.db2.gz OEYAQKXFCNYRBM-UHFFFAOYSA-N 1 2 259.357 1.980 20 30 CDEDLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000593972812 342859367 /nfs/dbraw/zinc/85/93/67/342859367.db2.gz VMGCAGRCMURDBP-AWEZNQCLSA-N 1 2 273.336 1.871 20 30 CDEDLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000593972812 342859369 /nfs/dbraw/zinc/85/93/69/342859369.db2.gz VMGCAGRCMURDBP-AWEZNQCLSA-N 1 2 273.336 1.871 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(C#N)cc1F ZINC000594283381 342884671 /nfs/dbraw/zinc/88/46/71/342884671.db2.gz GWWZNHFSGHZDNK-SNVBAGLBSA-N 1 2 286.310 1.915 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(C#N)cc1F ZINC000594283381 342884673 /nfs/dbraw/zinc/88/46/73/342884673.db2.gz GWWZNHFSGHZDNK-SNVBAGLBSA-N 1 2 286.310 1.915 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000353711925 529487963 /nfs/dbraw/zinc/48/79/63/529487963.db2.gz OLGHIKZBJSCPDM-DOMZBBRYSA-N 1 2 295.383 1.022 20 30 CDEDLO CC[NH+]1CCN(S(=O)(=O)c2cccc(CC#N)c2)CC1 ZINC000619472901 349738584 /nfs/dbraw/zinc/73/85/84/349738584.db2.gz MTAKWXCZXSRPKX-UHFFFAOYSA-N 1 2 293.392 1.079 20 30 CDEDLO N#CCCN(CCC1CCC1)CC[NH+]1CCOCC1 ZINC000595333267 343037364 /nfs/dbraw/zinc/03/73/64/343037364.db2.gz OLOODAOOHRIVOZ-UHFFFAOYSA-N 1 2 265.401 1.724 20 30 CDEDLO COC(=O)C[N@H+](CCc1ccc(C#N)cc1)C1CC1 ZINC000595344694 343044068 /nfs/dbraw/zinc/04/40/68/343044068.db2.gz NSWNOISQMCDDPV-UHFFFAOYSA-N 1 2 258.321 1.738 20 30 CDEDLO COC(=O)C[N@@H+](CCc1ccc(C#N)cc1)C1CC1 ZINC000595344694 343044069 /nfs/dbraw/zinc/04/40/69/343044069.db2.gz NSWNOISQMCDDPV-UHFFFAOYSA-N 1 2 258.321 1.738 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1cscn1 ZINC000272925019 365704022 /nfs/dbraw/zinc/70/40/22/365704022.db2.gz YSFKSXLJWZQVRR-VIFPVBQESA-N 1 2 260.384 1.395 20 30 CDEDLO CC[N@H+](CC#CCOC)[C@H](C)C(=O)OC(C)(C)C ZINC000595605178 343106744 /nfs/dbraw/zinc/10/67/44/343106744.db2.gz IZCNVYBEAYBXPH-GFCCVEGCSA-N 1 2 255.358 1.688 20 30 CDEDLO CC[N@@H+](CC#CCOC)[C@H](C)C(=O)OC(C)(C)C ZINC000595605178 343106745 /nfs/dbraw/zinc/10/67/45/343106745.db2.gz IZCNVYBEAYBXPH-GFCCVEGCSA-N 1 2 255.358 1.688 20 30 CDEDLO CN(Cc1c[nH+]c[nH]1)C(=O)NCC1CCC(C#N)CC1 ZINC000595605888 343106936 /nfs/dbraw/zinc/10/69/36/343106936.db2.gz DUFKBNJODGEHMO-UHFFFAOYSA-N 1 2 275.356 1.881 20 30 CDEDLO CN(Cc1c[nH]c[nH+]1)C(=O)NCC1CCC(C#N)CC1 ZINC000595605888 343106939 /nfs/dbraw/zinc/10/69/39/343106939.db2.gz DUFKBNJODGEHMO-UHFFFAOYSA-N 1 2 275.356 1.881 20 30 CDEDLO CN(C(=O)C[N@@H+]1CCC[C@@H](CC#N)C1)c1nccs1 ZINC000595613634 343109692 /nfs/dbraw/zinc/10/96/92/343109692.db2.gz GAYUHIOLACNGQD-NSHDSACASA-N 1 2 278.381 1.732 20 30 CDEDLO CN(C(=O)C[N@H+]1CCC[C@@H](CC#N)C1)c1nccs1 ZINC000595613634 343109695 /nfs/dbraw/zinc/10/96/95/343109695.db2.gz GAYUHIOLACNGQD-NSHDSACASA-N 1 2 278.381 1.732 20 30 CDEDLO CCC(CC)[C@@H](C(=O)Nc1ncn(C)n1)[NH+]1CCOCC1 ZINC000329413451 282225289 /nfs/dbraw/zinc/22/52/89/282225289.db2.gz CHPSGTKQHJDRRX-LBPRGKRZSA-N 1 2 295.387 1.540 20 30 CDEDLO COc1cc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)ccc1C#N ZINC000300424886 362091287 /nfs/dbraw/zinc/09/12/87/362091287.db2.gz MAXWYFKXISWPDU-BXUZGUMPSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1cc(C[N@H+]2C[C@H](CO)OC[C@H]2C)ccc1C#N ZINC000300424886 362091290 /nfs/dbraw/zinc/09/12/90/362091290.db2.gz MAXWYFKXISWPDU-BXUZGUMPSA-N 1 2 276.336 1.148 20 30 CDEDLO CN1CC[N@H+](Cc2ccc(C#N)cc2F)CCC1=O ZINC000595788813 343155932 /nfs/dbraw/zinc/15/59/32/343155932.db2.gz XWVCPOUIYJVRQJ-UHFFFAOYSA-N 1 2 261.300 1.361 20 30 CDEDLO CN1CC[N@@H+](Cc2ccc(C#N)cc2F)CCC1=O ZINC000595788813 343155935 /nfs/dbraw/zinc/15/59/35/343155935.db2.gz XWVCPOUIYJVRQJ-UHFFFAOYSA-N 1 2 261.300 1.361 20 30 CDEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cccc(O)c1 ZINC000080917898 342360623 /nfs/dbraw/zinc/36/06/23/342360623.db2.gz XQGYYBSRXPSHKG-INIZCTEOSA-N 1 2 287.363 1.632 20 30 CDEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cccc(O)c1 ZINC000080917898 342360624 /nfs/dbraw/zinc/36/06/24/342360624.db2.gz XQGYYBSRXPSHKG-INIZCTEOSA-N 1 2 287.363 1.632 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)c1ccc(F)c(C#N)c1 ZINC000082271793 342375493 /nfs/dbraw/zinc/37/54/93/342375493.db2.gz VKOKOOZKPJSRJM-UHFFFAOYSA-N 1 2 258.256 1.361 20 30 CDEDLO N#Cc1nc(N2CC[NH+]([C@@H]3CCOC3)CC2)sc1Cl ZINC000596167244 343257957 /nfs/dbraw/zinc/25/79/57/343257957.db2.gz FSLFTAXBKKXRGM-SECBINFHSA-N 1 2 298.799 1.579 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCc2n[nH]cc2C1 ZINC000091078082 342399899 /nfs/dbraw/zinc/39/98/99/342399899.db2.gz VXIVXTWLEQIAMD-LBPRGKRZSA-N 1 2 274.368 1.357 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCc2n[nH]cc2C1 ZINC000091078082 342399900 /nfs/dbraw/zinc/39/99/00/342399900.db2.gz VXIVXTWLEQIAMD-LBPRGKRZSA-N 1 2 274.368 1.357 20 30 CDEDLO Cc1cc(NC(=O)N2CCC[C@@H](CC#N)C2)cc[nH+]1 ZINC000596817130 343398782 /nfs/dbraw/zinc/39/87/82/343398782.db2.gz LWUHEWYPAJAVES-LBPRGKRZSA-N 1 2 258.325 1.970 20 30 CDEDLO COc1cc(C[N@H+](C)Cc2cn(C)nn2)ccc1C#N ZINC000597212641 343476501 /nfs/dbraw/zinc/47/65/01/343476501.db2.gz WGGYWFNNYRQFGG-UHFFFAOYSA-N 1 2 271.324 1.327 20 30 CDEDLO COc1cc(C[N@@H+](C)Cc2cn(C)nn2)ccc1C#N ZINC000597212641 343476503 /nfs/dbraw/zinc/47/65/03/343476503.db2.gz WGGYWFNNYRQFGG-UHFFFAOYSA-N 1 2 271.324 1.327 20 30 CDEDLO COC(=O)c1ccc(C[NH+]2CC(CC#N)C2)cc1F ZINC000597204518 343473204 /nfs/dbraw/zinc/47/32/04/343473204.db2.gz YUIJESVADUGVST-UHFFFAOYSA-N 1 2 262.284 1.958 20 30 CDEDLO CCc1nnc(C2CC[NH+](CC3(C#N)CC3)CC2)[nH]1 ZINC000330134752 529731780 /nfs/dbraw/zinc/73/17/80/529731780.db2.gz SDWCXXRIDVVVPQ-UHFFFAOYSA-N 1 2 259.357 1.850 20 30 CDEDLO CCc1n[nH]c(C2CC[NH+](CC3(C#N)CC3)CC2)n1 ZINC000330134752 529731782 /nfs/dbraw/zinc/73/17/82/529731782.db2.gz SDWCXXRIDVVVPQ-UHFFFAOYSA-N 1 2 259.357 1.850 20 30 CDEDLO CCc1nc(C2CC[NH+](CC3(C#N)CC3)CC2)n[nH]1 ZINC000330134752 529731783 /nfs/dbraw/zinc/73/17/83/529731783.db2.gz SDWCXXRIDVVVPQ-UHFFFAOYSA-N 1 2 259.357 1.850 20 30 CDEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)cc1F ZINC000597754340 343615316 /nfs/dbraw/zinc/61/53/16/343615316.db2.gz GOOALISDPJUADH-LLVKDONJSA-N 1 2 298.321 1.842 20 30 CDEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)cc1F ZINC000597754340 343615319 /nfs/dbraw/zinc/61/53/19/343615319.db2.gz GOOALISDPJUADH-LLVKDONJSA-N 1 2 298.321 1.842 20 30 CDEDLO N#CCSCC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597941898 343674355 /nfs/dbraw/zinc/67/43/55/343674355.db2.gz SGFYKXMFKOMZCW-UHFFFAOYSA-N 1 2 290.392 1.555 20 30 CDEDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)nn1)[C@@H](C)C#N ZINC000598356871 343775400 /nfs/dbraw/zinc/77/54/00/343775400.db2.gz ZBXBUHYWOBSPEJ-JTQLQIEISA-N 1 2 270.296 1.036 20 30 CDEDLO CC(C)[N@H+](CC#Cc1cccc(Cl)c1)CC(N)=O ZINC000126965603 187273545 /nfs/dbraw/zinc/27/35/45/187273545.db2.gz XOTQYHUHXNQWNB-UHFFFAOYSA-N 1 2 264.756 1.887 20 30 CDEDLO CC(C)[N@@H+](CC#Cc1cccc(Cl)c1)CC(N)=O ZINC000126965603 187273547 /nfs/dbraw/zinc/27/35/47/187273547.db2.gz XOTQYHUHXNQWNB-UHFFFAOYSA-N 1 2 264.756 1.887 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598465040 343806394 /nfs/dbraw/zinc/80/63/94/343806394.db2.gz NZWHUHCKFGQBKY-QMMMGPOBSA-N 1 2 258.281 1.684 20 30 CDEDLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598615475 343842636 /nfs/dbraw/zinc/84/26/36/343842636.db2.gz BLBIAIVXSZTWAB-MXWKQRLJSA-N 1 2 294.317 1.939 20 30 CDEDLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598615475 343842638 /nfs/dbraw/zinc/84/26/38/343842638.db2.gz BLBIAIVXSZTWAB-MXWKQRLJSA-N 1 2 294.317 1.939 20 30 CDEDLO N#Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)ccc1F ZINC000598945391 343925227 /nfs/dbraw/zinc/92/52/27/343925227.db2.gz BDYAARZWSAUBNF-LBPRGKRZSA-N 1 2 284.294 1.639 20 30 CDEDLO N#CC1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC000598949543 343933316 /nfs/dbraw/zinc/93/33/16/343933316.db2.gz VONAUDGADDIXSL-LLVKDONJSA-N 1 2 258.325 1.398 20 30 CDEDLO Cc1cc(NCCC(=O)Nc2ncccc2C)c(C#N)c[nH+]1 ZINC000599086602 343951484 /nfs/dbraw/zinc/95/14/84/343951484.db2.gz PDXFRPOHIUGBCN-UHFFFAOYSA-N 1 2 295.346 1.828 20 30 CDEDLO CCC(C#N)(CC)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000599847149 344146218 /nfs/dbraw/zinc/14/62/18/344146218.db2.gz MHYTVSJIOJCBKD-UHFFFAOYSA-N 1 2 295.427 1.886 20 30 CDEDLO CCC(C#N)(CC)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000599847149 344146220 /nfs/dbraw/zinc/14/62/20/344146220.db2.gz MHYTVSJIOJCBKD-UHFFFAOYSA-N 1 2 295.427 1.886 20 30 CDEDLO C[C@@H](C#N)N(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000602423173 344420959 /nfs/dbraw/zinc/42/09/59/344420959.db2.gz IVTBASZJPXCCLT-LBPRGKRZSA-N 1 2 268.320 1.915 20 30 CDEDLO CO[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccc(F)cc1 ZINC000602331318 344401817 /nfs/dbraw/zinc/40/18/17/344401817.db2.gz BWNBSCHQVMVRCD-UKRRQHHQSA-N 1 2 293.342 1.473 20 30 CDEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(O)CC2)C1=O ZINC000083128323 344441340 /nfs/dbraw/zinc/44/13/40/344441340.db2.gz VXAXJISUOFLDRN-GFCCVEGCSA-N 1 2 291.376 1.182 20 30 CDEDLO COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N)c1 ZINC000602860247 344616208 /nfs/dbraw/zinc/61/62/08/344616208.db2.gz AKAZOHCKJAPRPV-WDEREUQCSA-N 1 2 291.351 1.923 20 30 CDEDLO CCCOc1ccc(CNC(=O)C[NH2+][C@@H](C)CC#N)cc1 ZINC000602862684 344617805 /nfs/dbraw/zinc/61/78/05/344617805.db2.gz LPPNIOHGHPQPMA-ZDUSSCGKSA-N 1 2 289.379 1.983 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000602870710 344641161 /nfs/dbraw/zinc/64/11/61/344641161.db2.gz VWXLEQGFOUAIBM-SNVBAGLBSA-N 1 2 288.307 1.376 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2ccc(C#N)cc2)nn1 ZINC000603225864 344738799 /nfs/dbraw/zinc/73/87/99/344738799.db2.gz AKGIXRHWFASCTO-ZDUSSCGKSA-N 1 2 279.347 1.872 20 30 CDEDLO CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612165168 347067481 /nfs/dbraw/zinc/06/74/81/347067481.db2.gz JHQOEUBTBOFAFT-UKRRQHHQSA-N 1 2 281.400 1.543 20 30 CDEDLO CCOCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612165168 347067483 /nfs/dbraw/zinc/06/74/83/347067483.db2.gz JHQOEUBTBOFAFT-UKRRQHHQSA-N 1 2 281.400 1.543 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cccc(CC#N)c1 ZINC000347521035 530026167 /nfs/dbraw/zinc/02/61/67/530026167.db2.gz PGZUALUZHDNLDU-UHFFFAOYSA-N 1 2 254.293 1.748 20 30 CDEDLO N#CCSCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000041786755 344862486 /nfs/dbraw/zinc/86/24/86/344862486.db2.gz RJLIOZAEDAAPPV-UHFFFAOYSA-N 1 2 279.365 1.181 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCCC3)CC2)cc1 ZINC000219792977 344896508 /nfs/dbraw/zinc/89/65/08/344896508.db2.gz VOKDQHQZWOXROV-UHFFFAOYSA-N 1 2 298.390 1.303 20 30 CDEDLO NC(=[NH+]OCc1cnc(Cl)s1)[C@@H]1CCCO1 ZINC000283765235 263084033 /nfs/dbraw/zinc/08/40/33/263084033.db2.gz BLHFAZYWMKIBDL-ZETCQYMHSA-N 1 2 261.734 1.764 20 30 CDEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCCC#N ZINC000051877208 345206488 /nfs/dbraw/zinc/20/64/88/345206488.db2.gz OQIIWDPNTZCKEB-AWEZNQCLSA-N 1 2 257.337 1.463 20 30 CDEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCCC#N ZINC000051877208 345206492 /nfs/dbraw/zinc/20/64/92/345206492.db2.gz OQIIWDPNTZCKEB-AWEZNQCLSA-N 1 2 257.337 1.463 20 30 CDEDLO Cc1ccc(C#N)c(NCC(C)(C)[NH+]2CCOCC2)n1 ZINC000127508536 187311748 /nfs/dbraw/zinc/31/17/48/187311748.db2.gz IXQSBSZOCKLNQO-UHFFFAOYSA-N 1 2 274.368 1.784 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617734605 345938138 /nfs/dbraw/zinc/93/81/38/345938138.db2.gz FHAHJXGCFFYOKO-BFHYXJOUSA-N 1 2 284.400 1.193 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617734605 345938139 /nfs/dbraw/zinc/93/81/39/345938139.db2.gz FHAHJXGCFFYOKO-BFHYXJOUSA-N 1 2 284.400 1.193 20 30 CDEDLO CCSc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccn1 ZINC000584564968 346346855 /nfs/dbraw/zinc/34/68/55/346346855.db2.gz FNYPLPRUZLEXTN-AWEZNQCLSA-N 1 2 292.408 1.767 20 30 CDEDLO CC[C@H]1CCCCN1C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611175131 346629347 /nfs/dbraw/zinc/62/93/47/346629347.db2.gz XIGLRSUGZRNWTL-HNNXBMFYSA-N 1 2 292.427 1.309 20 30 CDEDLO C[C@@H](NC(=O)NCC1(C#N)CCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000419435546 346641755 /nfs/dbraw/zinc/64/17/55/346641755.db2.gz AFLOKZYLZWWNGH-CHWSQXEVSA-N 1 2 294.399 1.089 20 30 CDEDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000611374304 346772430 /nfs/dbraw/zinc/77/24/30/346772430.db2.gz XBHSPCWHFUEYOU-SNVBAGLBSA-N 1 2 261.300 1.408 20 30 CDEDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1cccc(C#N)c1F ZINC000611374304 346772431 /nfs/dbraw/zinc/77/24/31/346772431.db2.gz XBHSPCWHFUEYOU-SNVBAGLBSA-N 1 2 261.300 1.408 20 30 CDEDLO CC1(C)C[N@H+](CCNc2cnccc2C#N)CCO1 ZINC000611280920 346735042 /nfs/dbraw/zinc/73/50/42/346735042.db2.gz CHTJIGXGFIZGSR-UHFFFAOYSA-N 1 2 260.341 1.476 20 30 CDEDLO CC1(C)C[N@@H+](CCNc2cnccc2C#N)CCO1 ZINC000611280920 346735045 /nfs/dbraw/zinc/73/50/45/346735045.db2.gz CHTJIGXGFIZGSR-UHFFFAOYSA-N 1 2 260.341 1.476 20 30 CDEDLO N#CC1(C[NH+]2CCN(c3cccc(O)c3)CC2)CC1 ZINC000611428989 346787015 /nfs/dbraw/zinc/78/70/15/346787015.db2.gz SZICWGKFZLPJSE-UHFFFAOYSA-N 1 2 257.337 1.818 20 30 CDEDLO COC(=O)[C@@H](COC(C)C)[N@H+](C)CCC(C)(C)C#N ZINC000611462708 346792641 /nfs/dbraw/zinc/79/26/41/346792641.db2.gz XHJNHOQQOGLWEA-GFCCVEGCSA-N 1 2 270.373 1.825 20 30 CDEDLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)CCC(C)(C)C#N ZINC000611462708 346792642 /nfs/dbraw/zinc/79/26/42/346792642.db2.gz XHJNHOQQOGLWEA-GFCCVEGCSA-N 1 2 270.373 1.825 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC000449856090 362776883 /nfs/dbraw/zinc/77/68/83/362776883.db2.gz LWUCPFKKOAHFRF-OLZOCXBDSA-N 1 2 275.352 1.591 20 30 CDEDLO CCCC[N@H+](CC(N)=O)Cc1cn2ccccc2c1C#N ZINC000061349374 347459613 /nfs/dbraw/zinc/45/96/13/347459613.db2.gz NIBFZPQMVYOJRX-UHFFFAOYSA-N 1 2 284.363 1.898 20 30 CDEDLO CCCC[N@@H+](CC(N)=O)Cc1cn2ccccc2c1C#N ZINC000061349374 347459619 /nfs/dbraw/zinc/45/96/19/347459619.db2.gz NIBFZPQMVYOJRX-UHFFFAOYSA-N 1 2 284.363 1.898 20 30 CDEDLO CN(CCO)c1ccc(N[C@H]2CC[C@@H](C#N)C2)[nH+]c1 ZINC000619673416 347725834 /nfs/dbraw/zinc/72/58/34/347725834.db2.gz JHUFJGKNGBUMGX-NEPJUHHUSA-N 1 2 260.341 1.614 20 30 CDEDLO CC(C)(C#N)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000055181271 347839631 /nfs/dbraw/zinc/83/96/31/347839631.db2.gz BBVSYXLVMSDGSW-UHFFFAOYSA-N 1 2 288.351 1.084 20 30 CDEDLO CC(=O)c1ccccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414168733 362926128 /nfs/dbraw/zinc/92/61/28/362926128.db2.gz UXYXBZYSDQTSFL-CYBMUJFWSA-N 1 2 276.336 1.474 20 30 CDEDLO CC(=O)c1ccccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414168733 362926129 /nfs/dbraw/zinc/92/61/29/362926129.db2.gz UXYXBZYSDQTSFL-CYBMUJFWSA-N 1 2 276.336 1.474 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc(F)c1F ZINC000414118740 362926985 /nfs/dbraw/zinc/92/69/85/362926985.db2.gz BRGGTGMACUHQDW-JTQLQIEISA-N 1 2 270.279 1.550 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc(F)c1F ZINC000414118740 362926993 /nfs/dbraw/zinc/92/69/93/362926993.db2.gz BRGGTGMACUHQDW-JTQLQIEISA-N 1 2 270.279 1.550 20 30 CDEDLO N#C[C@]1(F)CCN(Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000615646180 348624268 /nfs/dbraw/zinc/62/42/68/348624268.db2.gz QMPIFDXESJFLLX-SNVBAGLBSA-N 1 2 276.237 1.883 20 30 CDEDLO Cc1cccc2[nH+]c(CNC(=O)CSCC#N)cn21 ZINC000068570601 349072239 /nfs/dbraw/zinc/07/22/39/349072239.db2.gz VTJZVVNLMGLTKZ-UHFFFAOYSA-N 1 2 274.349 1.516 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601974954 350038346 /nfs/dbraw/zinc/03/83/46/350038346.db2.gz VCQMPCDATIGIID-ZNMIVQPWSA-N 1 2 286.331 1.351 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601974954 350038348 /nfs/dbraw/zinc/03/83/48/350038348.db2.gz VCQMPCDATIGIID-ZNMIVQPWSA-N 1 2 286.331 1.351 20 30 CDEDLO COc1ccc(C[N@H+](C)Cc2cccc(C#N)n2)cn1 ZINC000602617688 350132180 /nfs/dbraw/zinc/13/21/80/350132180.db2.gz ZJDPZRNXUTVRBT-UHFFFAOYSA-N 1 2 268.320 1.989 20 30 CDEDLO COc1ccc(C[N@@H+](C)Cc2cccc(C#N)n2)cn1 ZINC000602617688 350132182 /nfs/dbraw/zinc/13/21/82/350132182.db2.gz ZJDPZRNXUTVRBT-UHFFFAOYSA-N 1 2 268.320 1.989 20 30 CDEDLO C[C@H]1OCC[C@]12C[N@H+](Cc1cccc(C#N)n1)C[C@@H](C)O2 ZINC000602644530 350136104 /nfs/dbraw/zinc/13/61/04/350136104.db2.gz SUOUIOKPDJRMCQ-IOASZLSFSA-N 1 2 287.363 1.722 20 30 CDEDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cccc(C#N)n1)C[C@@H](C)O2 ZINC000602644530 350136106 /nfs/dbraw/zinc/13/61/06/350136106.db2.gz SUOUIOKPDJRMCQ-IOASZLSFSA-N 1 2 287.363 1.722 20 30 CDEDLO CO[C@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CCO1 ZINC000602897062 350161608 /nfs/dbraw/zinc/16/16/08/350161608.db2.gz JERKYXLXRSYRFS-OAHLLOKOSA-N 1 2 289.335 1.192 20 30 CDEDLO CO[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CCO1 ZINC000602897062 350161611 /nfs/dbraw/zinc/16/16/11/350161611.db2.gz JERKYXLXRSYRFS-OAHLLOKOSA-N 1 2 289.335 1.192 20 30 CDEDLO COCC[N@H+](C)Cc1cn([C@H](C)c2cccc(C#N)c2)nn1 ZINC000603231828 350232966 /nfs/dbraw/zinc/23/29/66/350232966.db2.gz CPRHKYARJCKAFE-CYBMUJFWSA-N 1 2 299.378 1.837 20 30 CDEDLO COCC[N@@H+](C)Cc1cn([C@H](C)c2cccc(C#N)c2)nn1 ZINC000603231828 350232968 /nfs/dbraw/zinc/23/29/68/350232968.db2.gz CPRHKYARJCKAFE-CYBMUJFWSA-N 1 2 299.378 1.837 20 30 CDEDLO N#Cc1ccc(O[C@H]2CCN(c3cc(CO)cc[nH+]3)C2)nc1 ZINC000603387317 350270372 /nfs/dbraw/zinc/27/03/72/350270372.db2.gz KLSCCGAURFDYSU-AWEZNQCLSA-N 1 2 296.330 1.498 20 30 CDEDLO N#Cc1cccc(Cn2cc[nH+]c2CN2CCOCC2)c1 ZINC000603424283 350288155 /nfs/dbraw/zinc/28/81/55/350288155.db2.gz VMLDFOSHKVVGBY-UHFFFAOYSA-N 1 2 282.347 1.635 20 30 CDEDLO N#CCCC[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000078486675 350817388 /nfs/dbraw/zinc/81/73/88/350817388.db2.gz GPYYKSQPOIRJFU-UHFFFAOYSA-N 1 2 264.373 1.514 20 30 CDEDLO C=C(CNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C)c1ccccc1 ZINC000291929527 198108323 /nfs/dbraw/zinc/10/83/23/198108323.db2.gz SAZPDEKQKYMHDA-MRXNPFEDSA-N 1 2 298.390 1.852 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000154879463 188167163 /nfs/dbraw/zinc/16/71/63/188167163.db2.gz PGXNBEDKUQGDES-CYBMUJFWSA-N 1 2 265.357 1.713 20 30 CDEDLO Cc1cc(NC(=O)C[N@H+](C)CCC(C)(C)C#N)no1 ZINC000157683478 188332451 /nfs/dbraw/zinc/33/24/51/188332451.db2.gz BLADFAAWYYGNEV-UHFFFAOYSA-N 1 2 264.329 1.793 20 30 CDEDLO Cc1cc(NC(=O)C[N@@H+](C)CCC(C)(C)C#N)no1 ZINC000157683478 188332452 /nfs/dbraw/zinc/33/24/52/188332452.db2.gz BLADFAAWYYGNEV-UHFFFAOYSA-N 1 2 264.329 1.793 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000157891284 188344691 /nfs/dbraw/zinc/34/46/91/188344691.db2.gz RSTCXEIKYFFNSA-UHFFFAOYSA-N 1 2 281.359 1.949 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1F ZINC000365277509 363314118 /nfs/dbraw/zinc/31/41/18/363314118.db2.gz UFORFDSODSNGKI-AWEZNQCLSA-N 1 2 275.327 1.214 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCN3CCOC[C@@H]3C2)cc1F ZINC000365277509 363314123 /nfs/dbraw/zinc/31/41/23/363314123.db2.gz UFORFDSODSNGKI-AWEZNQCLSA-N 1 2 275.327 1.214 20 30 CDEDLO Cc1cccn2cc(CC(=O)N3CC(C)(C#N)C3)[nH+]c12 ZINC000336309756 363341493 /nfs/dbraw/zinc/34/14/93/363341493.db2.gz NFJNTDPJOQBELE-UHFFFAOYSA-N 1 2 268.320 1.557 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)ccc1F ZINC000246755016 283093547 /nfs/dbraw/zinc/09/35/47/283093547.db2.gz VTBVQDKYWVZLII-HUUCEWRRSA-N 1 2 287.338 1.940 20 30 CDEDLO N#Cc1cc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)ccc1F ZINC000246755016 283093551 /nfs/dbraw/zinc/09/35/51/283093551.db2.gz VTBVQDKYWVZLII-HUUCEWRRSA-N 1 2 287.338 1.940 20 30 CDEDLO C[C@@H](CC(=O)NC[C@@H]1CCCN(CC#N)C1)n1cc[nH+]c1 ZINC000583941426 355991719 /nfs/dbraw/zinc/99/17/19/355991719.db2.gz ITQOYSUJPPDVKH-KBPBESRZSA-N 1 2 289.383 1.186 20 30 CDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CC[S@](=O)C1 ZINC000336313780 356144103 /nfs/dbraw/zinc/14/41/03/356144103.db2.gz IYCDQXAKNYQWMQ-WLRWDXFRSA-N 1 2 280.368 1.898 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC[S@](=O)C1 ZINC000336313780 356144106 /nfs/dbraw/zinc/14/41/06/356144106.db2.gz IYCDQXAKNYQWMQ-WLRWDXFRSA-N 1 2 280.368 1.898 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000298499776 356874807 /nfs/dbraw/zinc/87/48/07/356874807.db2.gz UPCKCPGZIMTWSQ-LBPRGKRZSA-N 1 2 290.363 1.944 20 30 CDEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000298499776 356874810 /nfs/dbraw/zinc/87/48/10/356874810.db2.gz UPCKCPGZIMTWSQ-LBPRGKRZSA-N 1 2 290.363 1.944 20 30 CDEDLO C#CC[N@@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000298650623 356907587 /nfs/dbraw/zinc/90/75/87/356907587.db2.gz XKEATSKWOQMTBZ-NSHDSACASA-N 1 2 259.334 1.290 20 30 CDEDLO C#CC[N@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000298650623 356907588 /nfs/dbraw/zinc/90/75/88/356907588.db2.gz XKEATSKWOQMTBZ-NSHDSACASA-N 1 2 259.334 1.290 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000165446281 356915116 /nfs/dbraw/zinc/91/51/16/356915116.db2.gz ZXSWWFDCJVIJTL-AWEZNQCLSA-N 1 2 278.377 1.486 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000165446281 356915118 /nfs/dbraw/zinc/91/51/18/356915118.db2.gz ZXSWWFDCJVIJTL-AWEZNQCLSA-N 1 2 278.377 1.486 20 30 CDEDLO COC(=O)C[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179935315 357230817 /nfs/dbraw/zinc/23/08/17/357230817.db2.gz NIIXQUZBRGYDIH-UHFFFAOYSA-N 1 2 298.346 1.564 20 30 CDEDLO COC(=O)C[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179935315 357230821 /nfs/dbraw/zinc/23/08/21/357230821.db2.gz NIIXQUZBRGYDIH-UHFFFAOYSA-N 1 2 298.346 1.564 20 30 CDEDLO C[C@@H](C#N)CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000182723798 357448304 /nfs/dbraw/zinc/44/83/04/357448304.db2.gz UWMVPKYKYUSTIX-JTQLQIEISA-N 1 2 257.297 1.293 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](F)C1 ZINC000334813489 357639833 /nfs/dbraw/zinc/63/98/33/357639833.db2.gz SNWNCGJLKHIQIA-PWSUYJOCSA-N 1 2 261.300 1.929 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](F)C1 ZINC000334813489 357639837 /nfs/dbraw/zinc/63/98/37/357639837.db2.gz SNWNCGJLKHIQIA-PWSUYJOCSA-N 1 2 261.300 1.929 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2cccc(C#N)n2)C[C@H](C)O1 ZINC000602627840 357675580 /nfs/dbraw/zinc/67/55/80/357675580.db2.gz UXPSUIUYJYNMGY-FZMZJTMJSA-N 1 2 261.325 1.189 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)C[C@H](C)O1 ZINC000602627840 357675584 /nfs/dbraw/zinc/67/55/84/357675584.db2.gz UXPSUIUYJYNMGY-FZMZJTMJSA-N 1 2 261.325 1.189 20 30 CDEDLO C#CCO[C@@H](C)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000294404146 199027643 /nfs/dbraw/zinc/02/76/43/199027643.db2.gz MIDGTCAFVFYXFZ-LBPRGKRZSA-N 1 2 285.347 1.499 20 30 CDEDLO NC(CN1CCOCC1)=[NH+]OCCCc1ccccc1 ZINC000088520555 358373533 /nfs/dbraw/zinc/37/35/33/358373533.db2.gz GJFJRZYJZWHGSS-UHFFFAOYSA-N 1 2 277.368 1.240 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1cccc(C#N)n1)C1CC1 ZINC000567108827 358628768 /nfs/dbraw/zinc/62/87/68/358628768.db2.gz BPBYCPZPOSDUMU-CYBMUJFWSA-N 1 2 296.334 1.960 20 30 CDEDLO COCC[NH+]1CCN(C(=O)c2cccc(C#N)c2C)CC1 ZINC000338091619 358776045 /nfs/dbraw/zinc/77/60/45/358776045.db2.gz VXADDLRLXRSLBV-UHFFFAOYSA-N 1 2 287.363 1.271 20 30 CDEDLO C#CC[C@@H](CC(F)(F)F)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493754401 366492044 /nfs/dbraw/zinc/49/20/44/366492044.db2.gz YKBFJJDPVWAUTA-MOVJSRMASA-N 1 2 271.242 1.883 20 30 CDEDLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1CCC(C)(C)C#N ZINC000345705004 358871049 /nfs/dbraw/zinc/87/10/49/358871049.db2.gz DXOVSLVPQYVWCJ-WDEREUQCSA-N 1 2 254.330 1.189 20 30 CDEDLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1CCC(C)(C)C#N ZINC000345705004 358871050 /nfs/dbraw/zinc/87/10/50/358871050.db2.gz DXOVSLVPQYVWCJ-WDEREUQCSA-N 1 2 254.330 1.189 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000338133422 359034129 /nfs/dbraw/zinc/03/41/29/359034129.db2.gz XRWKKMQOWHDYHQ-OAHLLOKOSA-N 1 2 299.374 1.413 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000355273453 359291123 /nfs/dbraw/zinc/29/11/23/359291123.db2.gz WKMPLWMJXCGEQW-FZMZJTMJSA-N 1 2 263.341 1.063 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2nc(C)sc2C)CC1 ZINC000269755535 359374592 /nfs/dbraw/zinc/37/45/92/359374592.db2.gz UHSALHQAYLIXFG-UHFFFAOYSA-N 1 2 277.393 1.541 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000266888629 359343718 /nfs/dbraw/zinc/34/37/18/359343718.db2.gz CHNPIXRXZRHHQI-UHFFFAOYSA-N 1 2 274.320 1.367 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000266888629 359343724 /nfs/dbraw/zinc/34/37/24/359343724.db2.gz CHNPIXRXZRHHQI-UHFFFAOYSA-N 1 2 274.320 1.367 20 30 CDEDLO C=CC[NH+]1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000272326944 359453657 /nfs/dbraw/zinc/45/36/57/359453657.db2.gz MDFMLLKUBLBAHG-CQSZACIVSA-N 1 2 293.798 1.670 20 30 CDEDLO C#C[C@@H](C)NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000274808816 359522283 /nfs/dbraw/zinc/52/22/83/359522283.db2.gz OKMLCKNWAFAOTJ-CYBMUJFWSA-N 1 2 286.379 1.893 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)N[C@H](C)CC)n1 ZINC000279687364 359592441 /nfs/dbraw/zinc/59/24/41/359592441.db2.gz HHGZGGQSYDTRDQ-KGLIPLIRSA-N 1 2 290.411 1.641 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)N[C@H](C)CC)n1 ZINC000279687364 359592446 /nfs/dbraw/zinc/59/24/46/359592446.db2.gz HHGZGGQSYDTRDQ-KGLIPLIRSA-N 1 2 290.411 1.641 20 30 CDEDLO CC#CCN(C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000297707964 200265545 /nfs/dbraw/zinc/26/55/45/200265545.db2.gz XZLFPZBTFCVREN-UHFFFAOYSA-N 1 2 286.379 1.847 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496084175 366638862 /nfs/dbraw/zinc/63/88/62/366638862.db2.gz IBFZMJHEBGHOQL-VXGBXAGGSA-N 1 2 285.388 1.306 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496084175 366638865 /nfs/dbraw/zinc/63/88/65/366638865.db2.gz IBFZMJHEBGHOQL-VXGBXAGGSA-N 1 2 285.388 1.306 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(C)cn2)C1=O ZINC000337203559 360025319 /nfs/dbraw/zinc/02/53/19/360025319.db2.gz GNXBRNVDNOHMAJ-CYBMUJFWSA-N 1 2 260.341 1.004 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(C)cn2)C1=O ZINC000337203559 360025320 /nfs/dbraw/zinc/02/53/20/360025320.db2.gz GNXBRNVDNOHMAJ-CYBMUJFWSA-N 1 2 260.341 1.004 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CCO1 ZINC000176902823 189013589 /nfs/dbraw/zinc/01/35/89/189013589.db2.gz AANXNUXCLWVKJJ-CYBMUJFWSA-N 1 2 264.300 1.545 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CCO1 ZINC000176902823 189013590 /nfs/dbraw/zinc/01/35/90/189013590.db2.gz AANXNUXCLWVKJJ-CYBMUJFWSA-N 1 2 264.300 1.545 20 30 CDEDLO CCc1ccc(C2=CC[N@H+](CC(=O)NCC#N)CC2)cc1 ZINC000093262695 360293290 /nfs/dbraw/zinc/29/32/90/360293290.db2.gz RZBYAPMUKINEFH-UHFFFAOYSA-N 1 2 283.375 1.978 20 30 CDEDLO CCc1ccc(C2=CC[N@@H+](CC(=O)NCC#N)CC2)cc1 ZINC000093262695 360293294 /nfs/dbraw/zinc/29/32/94/360293294.db2.gz RZBYAPMUKINEFH-UHFFFAOYSA-N 1 2 283.375 1.978 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1cccc(C)n1 ZINC000348579477 360425244 /nfs/dbraw/zinc/42/52/44/360425244.db2.gz QPSCWCXRJNAVGW-LBPRGKRZSA-N 1 2 290.367 1.222 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C)n1 ZINC000348579477 360425249 /nfs/dbraw/zinc/42/52/49/360425249.db2.gz QPSCWCXRJNAVGW-LBPRGKRZSA-N 1 2 290.367 1.222 20 30 CDEDLO COC(=O)C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C(C)C ZINC000177715201 189064740 /nfs/dbraw/zinc/06/47/40/189064740.db2.gz LYOUKSDDMJSNJP-CQSZACIVSA-N 1 2 276.336 1.475 20 30 CDEDLO COC(=O)C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C(C)C ZINC000177715201 189064741 /nfs/dbraw/zinc/06/47/41/189064741.db2.gz LYOUKSDDMJSNJP-CQSZACIVSA-N 1 2 276.336 1.475 20 30 CDEDLO C[C@H](CNC(=O)c1cc(C#N)c[nH]1)Cn1cc[nH+]c1 ZINC000177879203 189076206 /nfs/dbraw/zinc/07/62/06/189076206.db2.gz IEQLQNVGMWYPDB-SNVBAGLBSA-N 1 2 257.297 1.149 20 30 CDEDLO C#CCCOc1ccc(C[N@@H+](C)CC(=O)OC)cc1 ZINC000179395479 189191105 /nfs/dbraw/zinc/19/11/05/189191105.db2.gz ZMKWBOBXWGOSKR-UHFFFAOYSA-N 1 2 261.321 1.694 20 30 CDEDLO C#CCCOc1ccc(C[N@H+](C)CC(=O)OC)cc1 ZINC000179395479 189191106 /nfs/dbraw/zinc/19/11/06/189191106.db2.gz ZMKWBOBXWGOSKR-UHFFFAOYSA-N 1 2 261.321 1.694 20 30 CDEDLO COc1ccc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)cc1C#N ZINC000246797175 360940345 /nfs/dbraw/zinc/94/03/45/360940345.db2.gz MQKMEQUESPZKOV-HUUCEWRRSA-N 1 2 299.374 1.810 20 30 CDEDLO COc1ccc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)cc1C#N ZINC000246797175 360940349 /nfs/dbraw/zinc/94/03/49/360940349.db2.gz MQKMEQUESPZKOV-HUUCEWRRSA-N 1 2 299.374 1.810 20 30 CDEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000349696450 360931334 /nfs/dbraw/zinc/93/13/34/360931334.db2.gz UYCWULLSEFKPGC-ZDUSSCGKSA-N 1 2 279.303 1.280 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000247073897 360999506 /nfs/dbraw/zinc/99/95/06/360999506.db2.gz OSBNIYOVYWPQFD-MPBGBICISA-N 1 2 294.420 1.547 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000247073897 360999508 /nfs/dbraw/zinc/99/95/08/360999508.db2.gz OSBNIYOVYWPQFD-MPBGBICISA-N 1 2 294.420 1.547 20 30 CDEDLO CC#CCCCC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000433114849 361212818 /nfs/dbraw/zinc/21/28/18/361212818.db2.gz OLVDCWMLBYYWJY-AWEZNQCLSA-N 1 2 288.395 1.809 20 30 CDEDLO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)CC(C)(C)C#N ZINC000433306518 361230807 /nfs/dbraw/zinc/23/08/07/361230807.db2.gz RLQSJLSMYGPGCV-SNVBAGLBSA-N 1 2 282.388 1.481 20 30 CDEDLO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)CC(C)(C)C#N ZINC000433306518 361230819 /nfs/dbraw/zinc/23/08/19/361230819.db2.gz RLQSJLSMYGPGCV-SNVBAGLBSA-N 1 2 282.388 1.481 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000267649575 361255757 /nfs/dbraw/zinc/25/57/57/361255757.db2.gz KQTIWCRBDORFEL-CQSZACIVSA-N 1 2 262.284 1.645 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000267649575 361255761 /nfs/dbraw/zinc/25/57/61/361255761.db2.gz KQTIWCRBDORFEL-CQSZACIVSA-N 1 2 262.284 1.645 20 30 CDEDLO COc1ccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)cc1C#N ZINC000168536553 361427902 /nfs/dbraw/zinc/42/79/02/361427902.db2.gz OCTSFMSXPDOCSD-AWEZNQCLSA-N 1 2 285.347 1.373 20 30 CDEDLO COc1ccc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)cc1C#N ZINC000168536553 361427907 /nfs/dbraw/zinc/42/79/07/361427907.db2.gz OCTSFMSXPDOCSD-AWEZNQCLSA-N 1 2 285.347 1.373 20 30 CDEDLO Cc1ocnc1C[NH+]=C([O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000329375426 361493143 /nfs/dbraw/zinc/49/31/43/361493143.db2.gz LISNWHSGQJEUTR-UHFFFAOYSA-N 1 2 289.339 1.931 20 30 CDEDLO C=CCn1nnnc1SCc1ccc(N(C)C)[nH+]c1 ZINC000629144426 361628629 /nfs/dbraw/zinc/62/86/29/361628629.db2.gz SPPOYEYOWYHIPD-UHFFFAOYSA-N 1 2 276.369 1.612 20 30 CDEDLO C#CCN(C(=O)N[C@@H](C)C[NH+]1CCOCC1)C1CCCC1 ZINC000163353358 363803376 /nfs/dbraw/zinc/80/33/76/363803376.db2.gz AUJXJFJKNLVFDM-AWEZNQCLSA-N 1 2 293.411 1.295 20 30 CDEDLO CC(=O)N1C[C@@H]2CCC[C@H](Nc3cc(C)[nH+]cc3C#N)[C@@H]2C1 ZINC000580948453 363956611 /nfs/dbraw/zinc/95/66/11/363956611.db2.gz DXOPEZJJZSPLBZ-IMJJTQAJSA-N 1 2 298.390 1.743 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)N1CCC(CCC#N)CC1 ZINC000570838922 364028754 /nfs/dbraw/zinc/02/87/54/364028754.db2.gz JIFYCSRAIBDHKG-UHFFFAOYSA-N 1 2 275.356 1.645 20 30 CDEDLO N#Cc1ccc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000456214586 364031251 /nfs/dbraw/zinc/03/12/51/364031251.db2.gz KDTOCMIMZAWDFZ-GASCZTMLSA-N 1 2 285.347 1.151 20 30 CDEDLO N#Cc1ccc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000456214586 364031254 /nfs/dbraw/zinc/03/12/54/364031254.db2.gz KDTOCMIMZAWDFZ-GASCZTMLSA-N 1 2 285.347 1.151 20 30 CDEDLO COc1cc(C#N)ccc1NC(=O)NCCCn1cc[nH+]c1 ZINC000546003427 364800360 /nfs/dbraw/zinc/80/03/60/364800360.db2.gz ZLRKGHMMNCWYNL-UHFFFAOYSA-N 1 2 299.334 1.975 20 30 CDEDLO N#CCCCCNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000171544030 365309604 /nfs/dbraw/zinc/30/96/04/365309604.db2.gz ZHISOEQPIFXKMT-CYBMUJFWSA-N 1 2 289.383 1.791 20 30 CDEDLO N#CCCCCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000171544030 365309611 /nfs/dbraw/zinc/30/96/11/365309611.db2.gz ZHISOEQPIFXKMT-CYBMUJFWSA-N 1 2 289.383 1.791 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)s1 ZINC000121496423 365392048 /nfs/dbraw/zinc/39/20/48/365392048.db2.gz ICYPWWHQYOGVIF-ZDUSSCGKSA-N 1 2 275.377 1.863 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)s1 ZINC000121496423 365392054 /nfs/dbraw/zinc/39/20/54/365392054.db2.gz ICYPWWHQYOGVIF-ZDUSSCGKSA-N 1 2 275.377 1.863 20 30 CDEDLO Cc1cc(CO[NH+]=C(N)CN2CCOCC2)c(C)s1 ZINC000171891657 365420879 /nfs/dbraw/zinc/42/08/79/365420879.db2.gz RLTOIXFFSOLWQH-UHFFFAOYSA-N 1 2 283.397 1.486 20 30 CDEDLO C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000442659801 366906549 /nfs/dbraw/zinc/90/65/49/366906549.db2.gz WHCNFKKWVLOTPB-JTQLQIEISA-N 1 2 259.309 1.040 20 30 CDEDLO C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000442659801 366906553 /nfs/dbraw/zinc/90/65/53/366906553.db2.gz WHCNFKKWVLOTPB-JTQLQIEISA-N 1 2 259.309 1.040 20 30 CDEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000154285763 370913928 /nfs/dbraw/zinc/91/39/28/370913928.db2.gz CEYJBXZCZLUWEK-OLZOCXBDSA-N 1 2 297.395 1.931 20 30 CDEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000154285763 370913930 /nfs/dbraw/zinc/91/39/30/370913930.db2.gz CEYJBXZCZLUWEK-OLZOCXBDSA-N 1 2 297.395 1.931 20 30 CDEDLO C=CCCN(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000276022415 193191905 /nfs/dbraw/zinc/19/19/05/193191905.db2.gz CGIPLXHKHOPXLU-CYBMUJFWSA-N 1 2 274.368 1.878 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2nc(C(C)C)no2)nn1 ZINC000630599009 369361840 /nfs/dbraw/zinc/36/18/40/369361840.db2.gz DWUINOSSJRZDNL-LLVKDONJSA-N 1 2 288.355 1.507 20 30 CDEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C2(C#N)CCC2)C1 ZINC000120422703 370397667 /nfs/dbraw/zinc/39/76/67/370397667.db2.gz GRSLNDIFVFEUCJ-CYBMUJFWSA-N 1 2 286.379 1.895 20 30 CDEDLO C[N@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160553186 370443419 /nfs/dbraw/zinc/44/34/19/370443419.db2.gz JHTXPFYBALSLAE-GFCCVEGCSA-N 1 2 282.340 1.316 20 30 CDEDLO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160553186 370443423 /nfs/dbraw/zinc/44/34/23/370443423.db2.gz JHTXPFYBALSLAE-GFCCVEGCSA-N 1 2 282.340 1.316 20 30 CDEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+](CCC#N)CC(CC)CC ZINC000157152799 371149194 /nfs/dbraw/zinc/14/91/94/371149194.db2.gz ABMKJVUVNBKCBB-LBPRGKRZSA-N 1 2 296.415 1.872 20 30 CDEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+](CCC#N)CC(CC)CC ZINC000157152799 371149200 /nfs/dbraw/zinc/14/92/00/371149200.db2.gz ABMKJVUVNBKCBB-LBPRGKRZSA-N 1 2 296.415 1.872 20 30 CDEDLO C#CC[NH+]1CCN(Cn2nc(Cl)c3ccccc32)CC1 ZINC000158845381 371216999 /nfs/dbraw/zinc/21/69/99/371216999.db2.gz XIYIIOLVIQIUII-UHFFFAOYSA-N 1 2 288.782 1.898 20 30 CDEDLO COc1cc(Cl)cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000578538559 372499435 /nfs/dbraw/zinc/49/94/35/372499435.db2.gz YWGUTYOOJLWOHN-AWEZNQCLSA-N 1 2 295.770 1.922 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000579355046 372558106 /nfs/dbraw/zinc/55/81/06/372558106.db2.gz UCQGTSLVKSDINA-LBPRGKRZSA-N 1 2 254.297 1.383 20 30 CDEDLO Cc1c([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cnn1C ZINC000348015200 372800492 /nfs/dbraw/zinc/80/04/92/372800492.db2.gz TVGOIBFXBQUCGY-MEBBXXQBSA-N 1 2 297.362 1.477 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NC1CCCCC1 ZINC000042324597 372971373 /nfs/dbraw/zinc/97/13/73/372971373.db2.gz WNSRRCQAQPQBPN-RYUDHWBXSA-N 1 2 251.374 1.915 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NC1CCCCC1 ZINC000042324597 372971379 /nfs/dbraw/zinc/97/13/79/372971379.db2.gz WNSRRCQAQPQBPN-RYUDHWBXSA-N 1 2 251.374 1.915 20 30 CDEDLO C[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c(C#N)c2)CCO1 ZINC000547328621 373616331 /nfs/dbraw/zinc/61/63/31/373616331.db2.gz FRZDEWYKRNVJMB-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])c(C#N)c2)CCO1 ZINC000547328621 373616342 /nfs/dbraw/zinc/61/63/42/373616342.db2.gz FRZDEWYKRNVJMB-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000301092610 373863204 /nfs/dbraw/zinc/86/32/04/373863204.db2.gz NTYQXNBDFCMCTR-CYBMUJFWSA-N 1 2 298.390 1.347 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3cccnc3)CC2)nn1 ZINC000301822315 373921730 /nfs/dbraw/zinc/92/17/30/373921730.db2.gz BVKMPSIAKWOWBZ-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000342170763 374008876 /nfs/dbraw/zinc/00/88/76/374008876.db2.gz YZDAZJRUOHWTET-NSHDSACASA-N 1 2 259.309 1.249 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000342209214 374015090 /nfs/dbraw/zinc/01/50/90/374015090.db2.gz MUNCGCBDWCKDNL-OAHLLOKOSA-N 1 2 299.374 1.846 20 30 CDEDLO Cc1ccc(CNC(=O)N2CCn3cc[nH+]c3C2)cn1 ZINC000329818037 541903355 /nfs/dbraw/zinc/90/33/55/541903355.db2.gz GBKKPDKUYLMMCG-UHFFFAOYSA-N 1 2 271.324 1.516 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3ccc(C#N)cc3Cl)C[C@H]21 ZINC000351994499 374292690 /nfs/dbraw/zinc/29/26/90/374292690.db2.gz KAULZTLTQCMFLX-CABCVRRESA-N 1 2 291.782 1.726 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3ccc(C#N)cc3Cl)C[C@H]21 ZINC000351994499 374292698 /nfs/dbraw/zinc/29/26/98/374292698.db2.gz KAULZTLTQCMFLX-CABCVRRESA-N 1 2 291.782 1.726 20 30 CDEDLO CN1CCO[C@H]2C[N@H+](Cc3ccc(C#N)cc3Cl)C[C@H]21 ZINC000351994499 374292705 /nfs/dbraw/zinc/29/27/05/374292705.db2.gz KAULZTLTQCMFLX-CABCVRRESA-N 1 2 291.782 1.726 20 30 CDEDLO CN1CCO[C@H]2C[N@@H+](Cc3ccc(C#N)cc3Cl)C[C@H]21 ZINC000351994499 374292710 /nfs/dbraw/zinc/29/27/10/374292710.db2.gz KAULZTLTQCMFLX-CABCVRRESA-N 1 2 291.782 1.726 20 30 CDEDLO C[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)CC[S@@](=O)C1 ZINC000277548922 374794072 /nfs/dbraw/zinc/79/40/72/374794072.db2.gz SPZFCZXZKDMHIX-ZUOKHONESA-N 1 2 292.404 1.637 20 30 CDEDLO C[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CC[S@@](=O)C1 ZINC000277548922 374794077 /nfs/dbraw/zinc/79/40/77/374794077.db2.gz SPZFCZXZKDMHIX-ZUOKHONESA-N 1 2 292.404 1.637 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000042569784 374846226 /nfs/dbraw/zinc/84/62/26/374846226.db2.gz WHVLEDJSWLZESN-OLZOCXBDSA-N 1 2 252.358 1.296 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000042569784 374846231 /nfs/dbraw/zinc/84/62/31/374846231.db2.gz WHVLEDJSWLZESN-OLZOCXBDSA-N 1 2 252.358 1.296 20 30 CDEDLO Cc1cc(C#N)nc(N2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000281004188 375032259 /nfs/dbraw/zinc/03/22/59/375032259.db2.gz PYRQZBJXGGDRGN-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO C[C@@H]1CN(C(=O)c2cc(C#N)cs2)C[C@H](C)[N@H+]1C ZINC000293967235 375546043 /nfs/dbraw/zinc/54/60/43/375546043.db2.gz LOJOCQAZIBJYOC-AOOOYVTPSA-N 1 2 263.366 1.784 20 30 CDEDLO C[C@@H]1CN(C(=O)c2cc(C#N)cs2)C[C@H](C)[N@@H+]1C ZINC000293967235 375546053 /nfs/dbraw/zinc/54/60/53/375546053.db2.gz LOJOCQAZIBJYOC-AOOOYVTPSA-N 1 2 263.366 1.784 20 30 CDEDLO CC1CC(C#N)(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000532072671 375810707 /nfs/dbraw/zinc/81/07/07/375810707.db2.gz CYQPXAGECRJVAJ-UHFFFAOYSA-N 1 2 279.384 1.153 20 30 CDEDLO CC1CC(C#N)(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000532072671 375810714 /nfs/dbraw/zinc/81/07/14/375810714.db2.gz CYQPXAGECRJVAJ-UHFFFAOYSA-N 1 2 279.384 1.153 20 30 CDEDLO Cn1ncc(Cl)c1C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000328605736 375890459 /nfs/dbraw/zinc/89/04/59/375890459.db2.gz JVAQJIQWPZQZTQ-JTQLQIEISA-N 1 2 297.790 1.314 20 30 CDEDLO Cn1ncc(Cl)c1C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000328605736 375890466 /nfs/dbraw/zinc/89/04/66/375890466.db2.gz JVAQJIQWPZQZTQ-JTQLQIEISA-N 1 2 297.790 1.314 20 30 CDEDLO Cc1[nH]c(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)c[nH+]1 ZINC000328783745 375969607 /nfs/dbraw/zinc/96/96/07/375969607.db2.gz NOJXMRCNUIAQGL-SNVBAGLBSA-N 1 2 288.355 1.753 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000328832481 375978465 /nfs/dbraw/zinc/97/84/65/375978465.db2.gz LIAPDZSCQHGZKE-ZDUSSCGKSA-N 1 2 290.367 1.463 20 30 CDEDLO Cc1nc(CCNC(=O)C(C)(C)[NH+]2CCOCC2)c(C)o1 ZINC000328682510 375926684 /nfs/dbraw/zinc/92/66/84/375926684.db2.gz OTTDBUHMOSFZTD-UHFFFAOYSA-N 1 2 295.383 1.901 20 30 CDEDLO CCc1cccnc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330589828 376285667 /nfs/dbraw/zinc/28/56/67/376285667.db2.gz ZTSULIJIYVKUHU-GFCCVEGCSA-N 1 2 277.368 1.669 20 30 CDEDLO CCc1cccnc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330589828 376285673 /nfs/dbraw/zinc/28/56/73/376285673.db2.gz ZTSULIJIYVKUHU-GFCCVEGCSA-N 1 2 277.368 1.669 20 30 CDEDLO CCC(C#N)(CC)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000529366426 376587306 /nfs/dbraw/zinc/58/73/06/376587306.db2.gz OWXROBDRPMSZDI-UONOGXRCSA-N 1 2 293.411 1.638 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000246491633 376936554 /nfs/dbraw/zinc/93/65/54/376936554.db2.gz AAAVLSJTHZPFQV-GFCCVEGCSA-N 1 2 288.317 2.000 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000246491633 376936561 /nfs/dbraw/zinc/93/65/61/376936561.db2.gz AAAVLSJTHZPFQV-GFCCVEGCSA-N 1 2 288.317 2.000 20 30 CDEDLO C=CC[N@@H+](C[C@@H]1CCC(C)(C)O1)[C@H]1CCS(=O)(=O)C1 ZINC000248574382 377318658 /nfs/dbraw/zinc/31/86/58/377318658.db2.gz OHXLUHZQAQTVHL-STQMWFEESA-N 1 2 287.425 1.619 20 30 CDEDLO C=CC[N@H+](C[C@@H]1CCC(C)(C)O1)[C@H]1CCS(=O)(=O)C1 ZINC000248574382 377318665 /nfs/dbraw/zinc/31/86/65/377318665.db2.gz OHXLUHZQAQTVHL-STQMWFEESA-N 1 2 287.425 1.619 20 30 CDEDLO N#CC1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000172106684 377273071 /nfs/dbraw/zinc/27/30/71/377273071.db2.gz SZEWLMVFUHNBBZ-UHFFFAOYSA-N 1 2 297.274 1.566 20 30 CDEDLO CC[N@@H+](CC(=O)N1CCCC[C@H]1C)C[C@H](C)C#N ZINC000249905077 377484039 /nfs/dbraw/zinc/48/40/39/377484039.db2.gz UQRWTZFEGRQKQP-CHWSQXEVSA-N 1 2 251.374 1.869 20 30 CDEDLO CC[N@H+](CC(=O)N1CCCC[C@H]1C)C[C@H](C)C#N ZINC000249905077 377484048 /nfs/dbraw/zinc/48/40/48/377484048.db2.gz UQRWTZFEGRQKQP-CHWSQXEVSA-N 1 2 251.374 1.869 20 30 CDEDLO Cc1nnc([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)s1 ZINC000571941812 377613104 /nfs/dbraw/zinc/61/31/04/377613104.db2.gz KVFXUABENGQHEZ-BDAKNGLRSA-N 1 2 293.396 1.448 20 30 CDEDLO N#CC1CCN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000335057882 377790314 /nfs/dbraw/zinc/79/03/14/377790314.db2.gz GCHZSXJCCGYEFA-NSHDSACASA-N 1 2 286.326 1.176 20 30 CDEDLO CC#CC[C@H](CO)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000645404928 378152464 /nfs/dbraw/zinc/15/24/64/378152464.db2.gz SUMTWXHRRYADPZ-GFCCVEGCSA-N 1 2 260.341 1.263 20 30 CDEDLO CC#CC[C@H](CO)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000645404928 378152467 /nfs/dbraw/zinc/15/24/67/378152467.db2.gz SUMTWXHRRYADPZ-GFCCVEGCSA-N 1 2 260.341 1.263 20 30 CDEDLO COc1cccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000563765463 378100538 /nfs/dbraw/zinc/10/05/38/378100538.db2.gz USPJLTNCOVJWFD-AWEZNQCLSA-N 1 2 261.325 1.269 20 30 CDEDLO C=CCCC[N@H+]1CC[S@](=O)C[C@H]1c1cnn(C)c1 ZINC000287682067 378276596 /nfs/dbraw/zinc/27/65/96/378276596.db2.gz IEVHBQBQHKNJPV-UGSOOPFHSA-N 1 2 267.398 1.492 20 30 CDEDLO C=CCCC[N@@H+]1CC[S@](=O)C[C@H]1c1cnn(C)c1 ZINC000287682067 378276604 /nfs/dbraw/zinc/27/66/04/378276604.db2.gz IEVHBQBQHKNJPV-UGSOOPFHSA-N 1 2 267.398 1.492 20 30 CDEDLO C=C[C@H](CO)Nc1nc(NCC)[nH+]c(NC(C)(C)C)n1 ZINC000291095305 378450179 /nfs/dbraw/zinc/45/01/79/378450179.db2.gz JVGYPTIHNMKMHT-SECBINFHSA-N 1 2 280.376 1.473 20 30 CDEDLO C=C[C@H](CO)Nc1nc(NC(C)(C)C)nc(NCC)[nH+]1 ZINC000291095305 378450185 /nfs/dbraw/zinc/45/01/85/378450185.db2.gz JVGYPTIHNMKMHT-SECBINFHSA-N 1 2 280.376 1.473 20 30 CDEDLO C=C(C)[C@H](CC(=O)N1CCn2c[nH+]cc2C1)OCC ZINC000290958067 378420864 /nfs/dbraw/zinc/42/08/64/378420864.db2.gz RDTKBFFPYGBLOB-ZDUSSCGKSA-N 1 2 263.341 1.597 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCc1sccc1C ZINC000293044007 378546573 /nfs/dbraw/zinc/54/65/73/378546573.db2.gz HHKXGBKXPAJXSJ-UHFFFAOYSA-N 1 2 250.367 1.628 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCc1sccc1C ZINC000293044007 378546577 /nfs/dbraw/zinc/54/65/77/378546577.db2.gz HHKXGBKXPAJXSJ-UHFFFAOYSA-N 1 2 250.367 1.628 20 30 CDEDLO C=CCN(C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000186140181 378845496 /nfs/dbraw/zinc/84/54/96/378845496.db2.gz AWFXCKMUILKSPK-UHFFFAOYSA-N 1 2 290.367 1.246 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc3cc(C)ccn23)C1=O ZINC000343612884 378927469 /nfs/dbraw/zinc/92/74/69/378927469.db2.gz IGBBQOBZVUQEOL-OAHLLOKOSA-N 1 2 298.390 1.861 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc3cc(C)ccn23)C1=O ZINC000343612884 378927471 /nfs/dbraw/zinc/92/74/71/378927471.db2.gz IGBBQOBZVUQEOL-OAHLLOKOSA-N 1 2 298.390 1.861 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000289457861 197357255 /nfs/dbraw/zinc/35/72/55/197357255.db2.gz CDEZPIMKPYROMP-HNNXBMFYSA-N 1 2 273.336 1.586 20 30 CDEDLO C[C@@]1([NH2+]CCOc2cccc(C#N)c2)CCOC1=O ZINC000289453658 197354159 /nfs/dbraw/zinc/35/41/59/197354159.db2.gz FVPRVPHBSMJIFB-CQSZACIVSA-N 1 2 260.293 1.232 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278935831 194219114 /nfs/dbraw/zinc/21/91/14/194219114.db2.gz WVXIQBGAZMMQPY-GFCCVEGCSA-N 1 2 293.342 1.366 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278935831 194219116 /nfs/dbraw/zinc/21/91/16/194219116.db2.gz WVXIQBGAZMMQPY-GFCCVEGCSA-N 1 2 293.342 1.366 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000662165377 412913676 /nfs/dbraw/zinc/91/36/76/412913676.db2.gz DLLUQXFMOKCUCY-WCQYABFASA-N 1 2 273.336 1.858 20 30 CDEDLO N#Cc1cc(C(=O)Nc2c[nH+]c3n2CCCC3)ccn1 ZINC000452329608 252022306 /nfs/dbraw/zinc/02/23/06/252022306.db2.gz CNMWEHSVXBJXRL-UHFFFAOYSA-N 1 2 267.292 1.738 20 30 CDEDLO C#C[C@H](NC(=O)NCc1cn2ccccc2[nH+]1)C(C)C ZINC000281171522 195134980 /nfs/dbraw/zinc/13/49/80/195134980.db2.gz XSQQOANQEBCHLH-ZDUSSCGKSA-N 1 2 270.336 1.791 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000336035655 533111723 /nfs/dbraw/zinc/11/17/23/533111723.db2.gz KKNXTYANNZLKFW-LBPRGKRZSA-N 1 2 275.327 1.630 20 30 CDEDLO C#CC[N@@H+](C)[C@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000192222965 533113376 /nfs/dbraw/zinc/11/33/76/533113376.db2.gz PHTMQIPNGLHVTE-NSHDSACASA-N 1 2 292.360 1.205 20 30 CDEDLO C#CC[N@H+](C)[C@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000192222965 533113380 /nfs/dbraw/zinc/11/33/80/533113380.db2.gz PHTMQIPNGLHVTE-NSHDSACASA-N 1 2 292.360 1.205 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnn(CC)c2)C1=O ZINC000281395520 195223538 /nfs/dbraw/zinc/22/35/38/195223538.db2.gz XDCSRPLJYCFOJY-ZDUSSCGKSA-N 1 2 262.357 1.122 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnn(CC)c2)C1=O ZINC000281395520 195223540 /nfs/dbraw/zinc/22/35/40/195223540.db2.gz XDCSRPLJYCFOJY-ZDUSSCGKSA-N 1 2 262.357 1.122 20 30 CDEDLO C=CCN1CC[C@@H]([NH2+][C@H](COC)c2ccc(C)o2)C1=O ZINC000281447005 195243994 /nfs/dbraw/zinc/24/39/94/195243994.db2.gz UKLZDVOVYDHPAW-CHWSQXEVSA-N 1 2 278.352 1.652 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000281575405 195293514 /nfs/dbraw/zinc/29/35/14/195293514.db2.gz URELWDWQWSTPNK-DYVFJYSZSA-N 1 2 299.374 1.974 20 30 CDEDLO NC(CCO)=[NH+]OCc1cc(Br)ccc1F ZINC000121323001 390883506 /nfs/dbraw/zinc/88/35/06/390883506.db2.gz GWFCASPKJUKSDE-UHFFFAOYSA-N 1 2 291.120 1.759 20 30 CDEDLO Cc1cc(NC[C@H](C)c2nncn2C)c(C#N)c[nH+]1 ZINC000425254692 390898882 /nfs/dbraw/zinc/89/88/82/390898882.db2.gz MBFZEHAGYAOQQI-VIFPVBQESA-N 1 2 256.313 1.028 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1CCCCC[C@H]1O ZINC000329537051 391008357 /nfs/dbraw/zinc/00/83/57/391008357.db2.gz MCNHFHOGPDVPFK-JHJVBQTASA-N 1 2 292.383 1.395 20 30 CDEDLO [O-]C(N[C@@H]1CCCCC[C@H]1O)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000329537051 391008364 /nfs/dbraw/zinc/00/83/64/391008364.db2.gz MCNHFHOGPDVPFK-JHJVBQTASA-N 1 2 292.383 1.395 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000491392460 391105577 /nfs/dbraw/zinc/10/55/77/391105577.db2.gz CCTPDXIITZEFLB-NSHDSACASA-N 1 2 251.351 1.544 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000491392460 391105578 /nfs/dbraw/zinc/10/55/78/391105578.db2.gz CCTPDXIITZEFLB-NSHDSACASA-N 1 2 251.351 1.544 20 30 CDEDLO C#C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C(C)C ZINC000491404942 391112737 /nfs/dbraw/zinc/11/27/37/391112737.db2.gz FPWRRBFWBPYPLP-CABCVRRESA-N 1 2 293.411 1.150 20 30 CDEDLO N#CC1(F)CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000352469561 391149342 /nfs/dbraw/zinc/14/93/42/391149342.db2.gz YQQRJUMCFAEHKH-UHFFFAOYSA-N 1 2 287.338 1.903 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000334064302 391129132 /nfs/dbraw/zinc/12/91/32/391129132.db2.gz CMSSLVLNJMGYFM-NEPJUHHUSA-N 1 2 276.340 1.142 20 30 CDEDLO C=C(C)CS(=O)(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000373822614 391134605 /nfs/dbraw/zinc/13/46/05/391134605.db2.gz JYZPLGMGTXPKRS-CQSZACIVSA-N 1 2 280.393 1.669 20 30 CDEDLO C=C(C)CS(=O)(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000373822614 391134608 /nfs/dbraw/zinc/13/46/08/391134608.db2.gz JYZPLGMGTXPKRS-CQSZACIVSA-N 1 2 280.393 1.669 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(F)(C#N)CC1 ZINC000352448595 391141433 /nfs/dbraw/zinc/14/14/33/391141433.db2.gz IHYSNCHDLSETGP-LLVKDONJSA-N 1 2 266.320 1.075 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000491485299 391145474 /nfs/dbraw/zinc/14/54/74/391145474.db2.gz OBCZMCPTFUMDKG-ZIAGYGMSSA-N 1 2 265.740 1.707 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000491485299 391145478 /nfs/dbraw/zinc/14/54/78/391145478.db2.gz OBCZMCPTFUMDKG-ZIAGYGMSSA-N 1 2 265.740 1.707 20 30 CDEDLO C#CC[N@@H+](C)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000491485063 391145938 /nfs/dbraw/zinc/14/59/38/391145938.db2.gz MTOHNMMJSXIZAX-UHFFFAOYSA-N 1 2 272.395 1.063 20 30 CDEDLO C#CC[N@H+](C)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000491485063 391145943 /nfs/dbraw/zinc/14/59/43/391145943.db2.gz MTOHNMMJSXIZAX-UHFFFAOYSA-N 1 2 272.395 1.063 20 30 CDEDLO Cc1ccc2[nH+]c(CN3CCO[C@@H](C#N)C3)cn2c1 ZINC000176919978 391160486 /nfs/dbraw/zinc/16/04/86/391160486.db2.gz DBRMFJDHXPYHEN-ZDUSSCGKSA-N 1 2 256.309 1.367 20 30 CDEDLO N#CCC[N@H+](CCC1OCCCO1)Cc1ccccn1 ZINC000267961573 391208420 /nfs/dbraw/zinc/20/84/20/391208420.db2.gz SWMUUHLBFDGONP-UHFFFAOYSA-N 1 2 275.352 1.950 20 30 CDEDLO N#CCC[N@@H+](CCC1OCCCO1)Cc1ccccn1 ZINC000267961573 391208426 /nfs/dbraw/zinc/20/84/26/391208426.db2.gz SWMUUHLBFDGONP-UHFFFAOYSA-N 1 2 275.352 1.950 20 30 CDEDLO CC[C@H](CC#N)NC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339350843 391287306 /nfs/dbraw/zinc/28/73/06/391287306.db2.gz GHILFKQSUWYIMR-RDBSUJKOSA-N 1 2 281.400 1.684 20 30 CDEDLO CC[C@H](CC#N)NC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000339350843 391287310 /nfs/dbraw/zinc/28/73/10/391287310.db2.gz GHILFKQSUWYIMR-RDBSUJKOSA-N 1 2 281.400 1.684 20 30 CDEDLO N#CCN1CC[NH+](Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000271148673 391290001 /nfs/dbraw/zinc/29/00/01/391290001.db2.gz JDIUFJGBEZAOLL-CYBMUJFWSA-N 1 2 292.408 1.636 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000339759393 391350337 /nfs/dbraw/zinc/35/03/37/391350337.db2.gz MMLJFUGQEFXQIW-HZSPNIEDSA-N 1 2 250.386 1.882 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000339759393 391350339 /nfs/dbraw/zinc/35/03/39/391350339.db2.gz MMLJFUGQEFXQIW-HZSPNIEDSA-N 1 2 250.386 1.882 20 30 CDEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(CC(C)(C)C#N)n2)C1 ZINC000346795524 391368994 /nfs/dbraw/zinc/36/89/94/391368994.db2.gz MBDKZLCAXWJBBF-LLVKDONJSA-N 1 2 278.356 1.944 20 30 CDEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(CC(C)(C)C#N)n2)C1 ZINC000346795524 391368998 /nfs/dbraw/zinc/36/89/98/391368998.db2.gz MBDKZLCAXWJBBF-LLVKDONJSA-N 1 2 278.356 1.944 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347366380 391394341 /nfs/dbraw/zinc/39/43/41/391394341.db2.gz IWCZFLVSBXIRQQ-DZGCQCFKSA-N 1 2 286.391 1.596 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@](F)(CO)C1 ZINC000347366380 391394344 /nfs/dbraw/zinc/39/43/44/391394344.db2.gz IWCZFLVSBXIRQQ-DZGCQCFKSA-N 1 2 286.391 1.596 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000355282434 391446854 /nfs/dbraw/zinc/44/68/54/391446854.db2.gz ROZOVCZFUKMCTQ-KGLIPLIRSA-N 1 2 268.401 1.910 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000355282434 391446858 /nfs/dbraw/zinc/44/68/58/391446858.db2.gz ROZOVCZFUKMCTQ-KGLIPLIRSA-N 1 2 268.401 1.910 20 30 CDEDLO COC(=O)c1cc(C[NH+]2CCC(F)(C#N)CC2)c[nH]1 ZINC000348714000 391451364 /nfs/dbraw/zinc/45/13/64/391451364.db2.gz XLRMQDIRTPOJIS-UHFFFAOYSA-N 1 2 265.288 1.629 20 30 CDEDLO CN(C)C(=O)NCC[N@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000330614032 391459237 /nfs/dbraw/zinc/45/92/37/391459237.db2.gz AMVLIDIKLWYYKA-UHFFFAOYSA-N 1 2 282.388 1.880 20 30 CDEDLO CN(C)C(=O)NCC[N@@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000330614032 391459239 /nfs/dbraw/zinc/45/92/39/391459239.db2.gz AMVLIDIKLWYYKA-UHFFFAOYSA-N 1 2 282.388 1.880 20 30 CDEDLO C[N@H+](CCCC#N)Cc1ccc(S(C)(=O)=O)cc1 ZINC000258905156 391656218 /nfs/dbraw/zinc/65/62/18/391656218.db2.gz LKDOVUNGASVIBF-UHFFFAOYSA-N 1 2 266.366 1.826 20 30 CDEDLO C[N@@H+](CCCC#N)Cc1ccc(S(C)(=O)=O)cc1 ZINC000258905156 391656221 /nfs/dbraw/zinc/65/62/21/391656221.db2.gz LKDOVUNGASVIBF-UHFFFAOYSA-N 1 2 266.366 1.826 20 30 CDEDLO C=CC[N@@H+](C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 ZINC000412978111 391667831 /nfs/dbraw/zinc/66/78/31/391667831.db2.gz PEYQXMXHNWKYDQ-NWDGAFQWSA-N 1 2 261.387 1.087 20 30 CDEDLO C=CC[N@H+](C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 ZINC000412978111 391667834 /nfs/dbraw/zinc/66/78/34/391667834.db2.gz PEYQXMXHNWKYDQ-NWDGAFQWSA-N 1 2 261.387 1.087 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](CCOC)Cc2ccc(C)o2)C1=O ZINC000282017791 391668863 /nfs/dbraw/zinc/66/88/63/391668863.db2.gz OXYYJCGCYIWMRH-OAHLLOKOSA-N 1 2 292.379 1.823 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](CCOC)Cc2ccc(C)o2)C1=O ZINC000282017791 391668865 /nfs/dbraw/zinc/66/88/65/391668865.db2.gz OXYYJCGCYIWMRH-OAHLLOKOSA-N 1 2 292.379 1.823 20 30 CDEDLO C=C(C)CN(C)c1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413226098 391718811 /nfs/dbraw/zinc/71/88/11/391718811.db2.gz CWPLOKMXNUHJHG-QWHCGFSZSA-N 1 2 276.384 1.696 20 30 CDEDLO C=C(C)CN(C)c1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000413226098 391718813 /nfs/dbraw/zinc/71/88/13/391718813.db2.gz CWPLOKMXNUHJHG-QWHCGFSZSA-N 1 2 276.384 1.696 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H](C)C1CCOCC1)C(=O)OC ZINC000361109414 391683031 /nfs/dbraw/zinc/68/30/31/391683031.db2.gz DXYMBGVMJAFHCZ-AAEUAGOBSA-N 1 2 271.357 1.135 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@@H](C)C1CCSCC1)C(=O)OC ZINC000361114958 391683377 /nfs/dbraw/zinc/68/33/77/391683377.db2.gz VETWWDYUUIMEHT-WCQYABFASA-N 1 2 287.425 1.852 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CCOC[C@@]23CCOC3)cc1 ZINC000289704621 391762162 /nfs/dbraw/zinc/76/21/62/391762162.db2.gz NSSBSBXHSITVGD-INIZCTEOSA-N 1 2 257.333 1.659 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CCOC[C@@]23CCOC3)cc1 ZINC000289704621 391762164 /nfs/dbraw/zinc/76/21/64/391762164.db2.gz NSSBSBXHSITVGD-INIZCTEOSA-N 1 2 257.333 1.659 20 30 CDEDLO O=C(NCC[C@H]1CCOC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000329726318 391760449 /nfs/dbraw/zinc/76/04/49/391760449.db2.gz DUICWRPESCBGNJ-ZDUSSCGKSA-N 1 2 292.383 1.861 20 30 CDEDLO [O-]C(=[NH+]CC[C@H]1CCOC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000329726318 391760454 /nfs/dbraw/zinc/76/04/54/391760454.db2.gz DUICWRPESCBGNJ-ZDUSSCGKSA-N 1 2 292.383 1.861 20 30 CDEDLO CN(CC1(O)CCC1)C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329736669 391766526 /nfs/dbraw/zinc/76/65/26/391766526.db2.gz LPVHJYDRBGUGSI-JTQLQIEISA-N 1 2 278.356 1.028 20 30 CDEDLO CN(CC1(O)CCC1)C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329736669 391766529 /nfs/dbraw/zinc/76/65/29/391766529.db2.gz LPVHJYDRBGUGSI-JTQLQIEISA-N 1 2 278.356 1.028 20 30 CDEDLO O=C(NC[C@H](O)C1CC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329870046 391791848 /nfs/dbraw/zinc/79/18/48/391791848.db2.gz ZSTLJCSBODJEIS-KBPBESRZSA-N 1 2 282.384 1.357 20 30 CDEDLO O=C(NC[C@H](O)C1CC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329870046 391791852 /nfs/dbraw/zinc/79/18/52/391791852.db2.gz ZSTLJCSBODJEIS-KBPBESRZSA-N 1 2 282.384 1.357 20 30 CDEDLO O=C(NC[C@H](O)C1CC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329870047 391791986 /nfs/dbraw/zinc/79/19/86/391791986.db2.gz ZSTLJCSBODJEIS-KGLIPLIRSA-N 1 2 282.384 1.357 20 30 CDEDLO O=C(NC[C@H](O)C1CC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329870047 391791989 /nfs/dbraw/zinc/79/19/89/391791989.db2.gz ZSTLJCSBODJEIS-KGLIPLIRSA-N 1 2 282.384 1.357 20 30 CDEDLO C[C@@H]1C[C@H](O)CN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000329909721 391797820 /nfs/dbraw/zinc/79/78/20/391797820.db2.gz MSAZRTVWQXPJKN-UTUOFQBUSA-N 1 2 278.356 1.130 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000192218781 130395857 /nfs/dbraw/zinc/39/58/57/130395857.db2.gz BSIPAPKJMPIWRU-LBPRGKRZSA-N 1 2 290.363 1.446 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000192218781 130395861 /nfs/dbraw/zinc/39/58/61/130395861.db2.gz BSIPAPKJMPIWRU-LBPRGKRZSA-N 1 2 290.363 1.446 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCc1cc(Cl)ccc1OC ZINC000192220112 130395873 /nfs/dbraw/zinc/39/58/73/130395873.db2.gz ZUPUVILLZPXUEW-UHFFFAOYSA-N 1 2 280.755 1.530 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCc1cc(Cl)ccc1OC ZINC000192220112 130395877 /nfs/dbraw/zinc/39/58/77/130395877.db2.gz ZUPUVILLZPXUEW-UHFFFAOYSA-N 1 2 280.755 1.530 20 30 CDEDLO N#CCC(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000334189234 392026795 /nfs/dbraw/zinc/02/67/95/392026795.db2.gz HPCDPVGVKBKUBX-LBPRGKRZSA-N 1 2 263.728 1.727 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000334185238 392027306 /nfs/dbraw/zinc/02/73/06/392027306.db2.gz GGDVQOLYMNECPS-GWCFXTLKSA-N 1 2 277.755 1.973 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(CC#N)c1 ZINC000343157905 392098798 /nfs/dbraw/zinc/09/87/98/392098798.db2.gz MYJZNXWVLUWGTH-GFCCVEGCSA-N 1 2 268.320 1.768 20 30 CDEDLO C#CCCC[N@H+](CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C ZINC000272892227 392132134 /nfs/dbraw/zinc/13/21/34/392132134.db2.gz ZLYJCBWBUMTDFL-ZDUSSCGKSA-N 1 2 296.411 1.568 20 30 CDEDLO C#CCCC[N@@H+](CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C ZINC000272892227 392132146 /nfs/dbraw/zinc/13/21/46/392132146.db2.gz ZLYJCBWBUMTDFL-ZDUSSCGKSA-N 1 2 296.411 1.568 20 30 CDEDLO Cc1nc(N(C)CC[NH+]2CCOCC2)ccc1C#N ZINC000488126744 392520684 /nfs/dbraw/zinc/52/06/84/392520684.db2.gz NRAHIWGWGAOYBE-UHFFFAOYSA-N 1 2 260.341 1.030 20 30 CDEDLO C[C@@H]([NH2+][C@H](C)c1ccn(C)n1)C(=O)Nc1ccccc1C#N ZINC000459798806 392507107 /nfs/dbraw/zinc/50/71/07/392507107.db2.gz UQEOWDIYPPKXHX-VXGBXAGGSA-N 1 2 297.362 1.970 20 30 CDEDLO Cc1cccc2[nH+]c(CCNc3c(C#N)cnn3C)cn21 ZINC000596288466 392644015 /nfs/dbraw/zinc/64/40/15/392644015.db2.gz BNIHEWLSYHDTSY-UHFFFAOYSA-N 1 2 280.335 1.903 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c1F ZINC000519782733 392847734 /nfs/dbraw/zinc/84/77/34/392847734.db2.gz BYCCPECOTYAELT-AWEZNQCLSA-N 1 2 287.338 1.940 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)c1F ZINC000519782733 392847737 /nfs/dbraw/zinc/84/77/37/392847737.db2.gz BYCCPECOTYAELT-AWEZNQCLSA-N 1 2 287.338 1.940 20 30 CDEDLO C=CCCS(=O)(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000268774970 132064342 /nfs/dbraw/zinc/06/43/42/132064342.db2.gz BBVSYKYEQSGYJX-UHFFFAOYSA-N 1 2 279.365 1.638 20 30 CDEDLO Cc1cc(N(C)CCCn2cc[nH+]c2)c(C#N)cn1 ZINC000425232656 392998994 /nfs/dbraw/zinc/99/89/94/392998994.db2.gz FNCQRGPUGMPPTM-UHFFFAOYSA-N 1 2 255.325 1.985 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc(C#N)cn1)CCC2 ZINC000533101067 393080248 /nfs/dbraw/zinc/08/02/48/393080248.db2.gz WZPDXAYSWLAYSY-CYBMUJFWSA-N 1 2 295.346 1.766 20 30 CDEDLO N#Cc1ccc(F)c(C[NH+]2CCN(c3cnccn3)CC2)c1 ZINC000048343836 134919640 /nfs/dbraw/zinc/91/96/40/134919640.db2.gz FKYJRVJFOGBVHV-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO N#Cc1cc(C#N)c(SCCCn2cc[nH+]c2)nc1N ZINC000185464276 140040801 /nfs/dbraw/zinc/04/08/01/140040801.db2.gz YRHXKHVPAUDCLR-UHFFFAOYSA-N 1 2 284.348 1.786 20 30 CDEDLO CC(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000228260686 140192768 /nfs/dbraw/zinc/19/27/68/140192768.db2.gz AKNUJJVXROJAPX-CYBMUJFWSA-N 1 2 261.300 1.408 20 30 CDEDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000228260686 140192770 /nfs/dbraw/zinc/19/27/70/140192770.db2.gz AKNUJJVXROJAPX-CYBMUJFWSA-N 1 2 261.300 1.408 20 30 CDEDLO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1nncn1C ZINC000230936827 140214226 /nfs/dbraw/zinc/21/42/26/140214226.db2.gz AUKIQHAYDJRQKX-VIFPVBQESA-N 1 2 259.288 1.677 20 30 CDEDLO Cc1ncsc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115599539 147264986 /nfs/dbraw/zinc/26/49/86/147264986.db2.gz SYUBFZDTWRHRBK-ZDUSSCGKSA-N 1 2 286.360 1.639 20 30 CDEDLO N#Cc1cc(F)ccc1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000336004589 151189392 /nfs/dbraw/zinc/18/93/92/151189392.db2.gz BRVCWZTYEFHDAF-UHFFFAOYSA-N 1 2 285.282 1.942 20 30 CDEDLO N#Cc1cc(Br)ccc1C[NH2+]C1(C(N)=O)CC1 ZINC000346956929 153358203 /nfs/dbraw/zinc/35/82/03/153358203.db2.gz HJEJFUHVKVHZIQ-UHFFFAOYSA-N 1 2 294.152 1.428 20 30 CDEDLO C[N@@H+]1CC[C@H](CNC(=O)c2cc(C#N)ccc2Cl)C1 ZINC000285168752 196212233 /nfs/dbraw/zinc/21/22/33/196212233.db2.gz SYERZULHPDBACR-LLVKDONJSA-N 1 2 277.755 1.893 20 30 CDEDLO C[N@H+]1CC[C@H](CNC(=O)c2cc(C#N)ccc2Cl)C1 ZINC000285168752 196212234 /nfs/dbraw/zinc/21/22/34/196212234.db2.gz SYERZULHPDBACR-LLVKDONJSA-N 1 2 277.755 1.893 20 30 CDEDLO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(C#N)ccc2Cl)C1 ZINC000285168753 196212444 /nfs/dbraw/zinc/21/24/44/196212444.db2.gz SYERZULHPDBACR-NSHDSACASA-N 1 2 277.755 1.893 20 30 CDEDLO C[N@H+]1CC[C@@H](CNC(=O)c2cc(C#N)ccc2Cl)C1 ZINC000285168753 196212445 /nfs/dbraw/zinc/21/24/45/196212445.db2.gz SYERZULHPDBACR-NSHDSACASA-N 1 2 277.755 1.893 20 30 CDEDLO C=CC[C@@H]1CCCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000660856237 413579633 /nfs/dbraw/zinc/57/96/33/413579633.db2.gz GNGDSYKDNBXCJX-HUUCEWRRSA-N 1 2 295.427 1.705 20 30 CDEDLO C=CC[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000660856237 413579642 /nfs/dbraw/zinc/57/96/42/413579642.db2.gz GNGDSYKDNBXCJX-HUUCEWRRSA-N 1 2 295.427 1.705 20 30 CDEDLO C=CCCOCCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660954641 413688760 /nfs/dbraw/zinc/68/87/60/413688760.db2.gz QJVOTIKXBMBGCZ-UHFFFAOYSA-N 1 2 252.318 1.144 20 30 CDEDLO C=CCCOCCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660954641 413688769 /nfs/dbraw/zinc/68/87/69/413688769.db2.gz QJVOTIKXBMBGCZ-UHFFFAOYSA-N 1 2 252.318 1.144 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCCc1ccccc1C ZINC000575134922 335071313 /nfs/dbraw/zinc/07/13/13/335071313.db2.gz MIXLSYCJWXVKRV-HNNXBMFYSA-N 1 2 273.380 1.936 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2cccc(O)c2)nn1 ZINC000657341301 414184442 /nfs/dbraw/zinc/18/44/42/414184442.db2.gz UAYVHOMZUROPOI-UHFFFAOYSA-N 1 2 258.325 1.850 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)nn1 ZINC000657383350 414258474 /nfs/dbraw/zinc/25/84/74/414258474.db2.gz NFAIQYVFOOVSAH-LBPRGKRZSA-N 1 2 291.399 1.343 20 30 CDEDLO C=CC[N@H+](Cc1nnc2n1CCOC2)C(C)(C)C ZINC000661759914 414340881 /nfs/dbraw/zinc/34/08/81/414340881.db2.gz MHIWDWGPZUCUGR-UHFFFAOYSA-N 1 2 250.346 1.595 20 30 CDEDLO C=CC[N@@H+](Cc1nnc2n1CCOC2)C(C)(C)C ZINC000661759914 414340884 /nfs/dbraw/zinc/34/08/84/414340884.db2.gz MHIWDWGPZUCUGR-UHFFFAOYSA-N 1 2 250.346 1.595 20 30 CDEDLO N#Cc1c(C[N@H+]2CCC[C@H]2C(N)=O)cn2ccccc12 ZINC000078427887 177340820 /nfs/dbraw/zinc/34/08/20/177340820.db2.gz WWSQJDVWRUNMSU-AWEZNQCLSA-N 1 2 268.320 1.261 20 30 CDEDLO N#Cc1c(C[N@@H+]2CCC[C@H]2C(N)=O)cn2ccccc12 ZINC000078427887 177340821 /nfs/dbraw/zinc/34/08/21/177340821.db2.gz WWSQJDVWRUNMSU-AWEZNQCLSA-N 1 2 268.320 1.261 20 30 CDEDLO Cn1cc([C@@H]2C[N@H+](CCC(C)(C)C#N)C[C@H]2CO)cn1 ZINC000347121347 226034798 /nfs/dbraw/zinc/03/47/98/226034798.db2.gz LVZMHJMQXDXCBG-KBPBESRZSA-N 1 2 276.384 1.368 20 30 CDEDLO Cn1cc([C@@H]2C[N@@H+](CCC(C)(C)C#N)C[C@H]2CO)cn1 ZINC000347121347 226034802 /nfs/dbraw/zinc/03/48/02/226034802.db2.gz LVZMHJMQXDXCBG-KBPBESRZSA-N 1 2 276.384 1.368 20 30 CDEDLO CCS(=O)(=O)CCCCC[N@H+](C)C[C@H](C)C#N ZINC000354890226 227209449 /nfs/dbraw/zinc/20/94/49/227209449.db2.gz KLBRMUWKAVCWBJ-GFCCVEGCSA-N 1 2 260.403 1.683 20 30 CDEDLO CCS(=O)(=O)CCCCC[N@@H+](C)C[C@H](C)C#N ZINC000354890226 227209451 /nfs/dbraw/zinc/20/94/51/227209451.db2.gz KLBRMUWKAVCWBJ-GFCCVEGCSA-N 1 2 260.403 1.683 20 30 CDEDLO O=C(C[N@@H+]1CCN2C(=O)CC[C@@H]2C1)NC1CCCC1 ZINC000329060874 227277606 /nfs/dbraw/zinc/27/76/06/227277606.db2.gz UQQZBOLQXBHRJO-GFCCVEGCSA-N 1 2 265.357 1.192 20 30 CDEDLO O=C(C[N@H+]1CCN2C(=O)CC[C@@H]2C1)NC1CCCC1 ZINC000329060874 227277611 /nfs/dbraw/zinc/27/76/11/227277611.db2.gz UQQZBOLQXBHRJO-GFCCVEGCSA-N 1 2 265.357 1.192 20 30 CDEDLO Cc1ccc(NC(=O)c2cn([C@H]3CCOC3)nn2)c(C)[nH+]1 ZINC000330067746 228032471 /nfs/dbraw/zinc/03/24/71/228032471.db2.gz USSQUKDTFJJNIB-NSHDSACASA-N 1 2 287.323 1.888 20 30 CDEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N[C@H]1CCCCNC1=O ZINC000330174680 228056438 /nfs/dbraw/zinc/05/64/38/228056438.db2.gz IMABFRPJBGARPY-MNOVXSKESA-N 1 2 291.355 1.211 20 30 CDEDLO [O-]C(NCC1CCOCC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330196376 228062236 /nfs/dbraw/zinc/06/22/36/228062236.db2.gz QDFWCFVYFXAEQH-GFCCVEGCSA-N 1 2 278.356 1.128 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]CC1CCOCC1 ZINC000330196376 228062239 /nfs/dbraw/zinc/06/22/39/228062239.db2.gz QDFWCFVYFXAEQH-GFCCVEGCSA-N 1 2 278.356 1.128 20 30 CDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+][C@H]1CCCC[C@@H]1O ZINC000330284527 228092613 /nfs/dbraw/zinc/09/26/13/228092613.db2.gz XPBNWCHSRUOCDD-SRVKXCTJSA-N 1 2 278.356 1.005 20 30 CDEDLO [O-]C(N[C@H]1CCCC[C@@H]1O)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330284527 228092614 /nfs/dbraw/zinc/09/26/14/228092614.db2.gz XPBNWCHSRUOCDD-SRVKXCTJSA-N 1 2 278.356 1.005 20 30 CDEDLO NC(=[NH+]OCC(=O)NC1CC1)c1cccc(Cl)c1 ZINC000048376226 260199396 /nfs/dbraw/zinc/19/93/96/260199396.db2.gz BYELDCLAJOVKCR-UHFFFAOYSA-N 1 2 267.716 1.256 20 30 CDEDLO Cc1occc1C[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000048922296 260202450 /nfs/dbraw/zinc/20/24/50/260202450.db2.gz AEJZQAWNVRIFKS-HNNXBMFYSA-N 1 2 275.352 1.828 20 30 CDEDLO Cc1occc1C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000048922296 260202452 /nfs/dbraw/zinc/20/24/52/260202452.db2.gz AEJZQAWNVRIFKS-HNNXBMFYSA-N 1 2 275.352 1.828 20 30 CDEDLO CC(C)CNC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158221945 261160884 /nfs/dbraw/zinc/16/08/84/261160884.db2.gz RKRJOMCSFKYDOH-UHFFFAOYSA-N 1 2 291.351 1.031 20 30 CDEDLO CCc1nnc(CO[NH+]=C(N)c2ccc(F)c(F)c2)o1 ZINC000160734581 261225142 /nfs/dbraw/zinc/22/51/42/261225142.db2.gz CKPGHWIZXMJAQO-UHFFFAOYSA-N 1 2 282.250 1.747 20 30 CDEDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)s1 ZINC000184997760 262036888 /nfs/dbraw/zinc/03/68/88/262036888.db2.gz JUCGGXQHVSACIP-YGRLFVJLSA-N 1 2 292.408 1.911 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cccc(F)c1C#N ZINC000188269672 262288252 /nfs/dbraw/zinc/28/82/52/262288252.db2.gz ZILICAMDOPTPGW-NSHDSACASA-N 1 2 291.326 1.148 20 30 CDEDLO N#CCCCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000273107303 263012610 /nfs/dbraw/zinc/01/26/10/263012610.db2.gz FWKPJKZQCQNEGW-UHFFFAOYSA-N 1 2 287.367 1.785 20 30 CDEDLO Cc1ccn2cc(CNC(=O)NCCCC#N)[nH+]c2c1 ZINC000273491009 263017455 /nfs/dbraw/zinc/01/74/55/263017455.db2.gz HDOMSGXWFDYZKN-UHFFFAOYSA-N 1 2 271.324 1.746 20 30 CDEDLO NC(CCO)=[NH+]OCc1ccc(Cl)cc1-n1cncn1 ZINC000279889962 263058097 /nfs/dbraw/zinc/05/80/97/263058097.db2.gz OOILKRYPTMQLFD-UHFFFAOYSA-N 1 2 295.730 1.092 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)C[C@@H](C#N)CCC#N)C1=O ZINC000281521195 263069787 /nfs/dbraw/zinc/06/97/87/263069787.db2.gz ZJFXDULWKSSXBZ-OLZOCXBDSA-N 1 2 260.341 1.149 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)C[C@@H](C#N)CCC#N)C1=O ZINC000281521195 263069788 /nfs/dbraw/zinc/06/97/88/263069788.db2.gz ZJFXDULWKSSXBZ-OLZOCXBDSA-N 1 2 260.341 1.149 20 30 CDEDLO NC(=[NH+]OCc1ccc(F)cc1F)[C@H]1CCCO1 ZINC000283760900 263084055 /nfs/dbraw/zinc/08/40/55/263084055.db2.gz AYLOIEAXZQDOAB-LLVKDONJSA-N 1 2 256.252 1.933 20 30 CDEDLO COc1ccc(NC(=O)CO[NH+]=C(N)[C@H]2CCCO2)cc1 ZINC000284370944 263086613 /nfs/dbraw/zinc/08/66/13/263086613.db2.gz LMCPGVWMAUBRBE-GFCCVEGCSA-N 1 2 293.323 1.102 20 30 CDEDLO NC(=[NH+]OCC(=O)N1CCc2ccccc21)[C@@H]1CCCO1 ZINC000284589354 263087525 /nfs/dbraw/zinc/08/75/25/263087525.db2.gz XVWHJMFJPYCATD-ZDUSSCGKSA-N 1 2 289.335 1.044 20 30 CDEDLO COCC(C)(C)C/[NH+]=C/c1ccc(O)c(O)c1O ZINC000292186298 263129357 /nfs/dbraw/zinc/12/93/57/263129357.db2.gz YRPDLEOCOWEIQG-MKMNVTDBSA-N 1 2 253.298 1.895 20 30 CDEDLO C=C[C@H](C)NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000340817648 263307206 /nfs/dbraw/zinc/30/72/06/263307206.db2.gz JZDINFJOOXQDBG-NSHDSACASA-N 1 2 298.346 1.716 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CC(C)(C)C#N)C1CC1 ZINC000341723248 263347785 /nfs/dbraw/zinc/34/77/85/263347785.db2.gz XEYLGJYMIULLJM-LBPRGKRZSA-N 1 2 260.341 1.927 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000330867608 264057834 /nfs/dbraw/zinc/05/78/34/264057834.db2.gz PACZUVIOVPNBAP-BBRMVZONSA-N 1 2 291.395 1.528 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H]1C(C)(C)O ZINC000330874435 264059811 /nfs/dbraw/zinc/05/98/11/264059811.db2.gz ZDRMUVOBPLUYMB-NEPJUHHUSA-N 1 2 280.372 1.421 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CCC[C@H]1C(C)(C)O ZINC000330874435 264059812 /nfs/dbraw/zinc/05/98/12/264059812.db2.gz ZDRMUVOBPLUYMB-NEPJUHHUSA-N 1 2 280.372 1.421 20 30 CDEDLO C=C[C@H](C)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330922065 264093641 /nfs/dbraw/zinc/09/36/41/264093641.db2.gz AXWLNOHJYVTECU-NSHDSACASA-N 1 2 255.362 1.175 20 30 CDEDLO C=C[C@H](C)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330922065 264093643 /nfs/dbraw/zinc/09/36/43/264093643.db2.gz AXWLNOHJYVTECU-NSHDSACASA-N 1 2 255.362 1.175 20 30 CDEDLO CCc1nc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)co1 ZINC000331063653 264111506 /nfs/dbraw/zinc/11/15/06/264111506.db2.gz OUGIFQHNDIIGHN-UHFFFAOYSA-N 1 2 281.356 1.652 20 30 CDEDLO CCc1nc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)co1 ZINC000331063653 264111507 /nfs/dbraw/zinc/11/15/07/264111507.db2.gz OUGIFQHNDIIGHN-UHFFFAOYSA-N 1 2 281.356 1.652 20 30 CDEDLO C=CCCn1cc(C[NH+]2CCC(CO)CC2)nn1 ZINC000653494307 424062368 /nfs/dbraw/zinc/06/23/68/424062368.db2.gz XNKNVLYKHNYQGS-UHFFFAOYSA-N 1 2 250.346 1.059 20 30 CDEDLO C[N@H+](CC(=O)NCCC#N)Cc1ccc(Cl)s1 ZINC000048250943 424164842 /nfs/dbraw/zinc/16/48/42/424164842.db2.gz OHIFDGPRHVCJAK-UHFFFAOYSA-N 1 2 271.773 1.863 20 30 CDEDLO C[N@@H+](CC(=O)NCCC#N)Cc1ccc(Cl)s1 ZINC000048250943 424164850 /nfs/dbraw/zinc/16/48/50/424164850.db2.gz OHIFDGPRHVCJAK-UHFFFAOYSA-N 1 2 271.773 1.863 20 30 CDEDLO Cc1cccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1C ZINC000519161777 265347971 /nfs/dbraw/zinc/34/79/71/265347971.db2.gz NGRLMATTWUKXDO-OAHLLOKOSA-N 1 2 259.353 1.877 20 30 CDEDLO C=CCN(C(=O)N[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC000357565481 266326586 /nfs/dbraw/zinc/32/65/86/266326586.db2.gz DHFYEMDXMGRTPS-LBPRGKRZSA-N 1 2 267.373 1.067 20 30 CDEDLO N#CCCN(Cc1cccnc1)C(=O)CCc1c[nH+]c[nH]1 ZINC000357571627 266328279 /nfs/dbraw/zinc/32/82/79/266328279.db2.gz WSACEPLGZNOJJH-UHFFFAOYSA-N 1 2 283.335 1.680 20 30 CDEDLO N#CCCN(Cc1cccnc1)C(=O)CCc1c[nH]c[nH+]1 ZINC000357571627 266328283 /nfs/dbraw/zinc/32/82/83/266328283.db2.gz WSACEPLGZNOJJH-UHFFFAOYSA-N 1 2 283.335 1.680 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)C(=O)OC ZINC000361114786 266787170 /nfs/dbraw/zinc/78/71/70/266787170.db2.gz UROBIVYHGNEMGK-HZPDHXFCSA-N 1 2 289.375 1.878 20 30 CDEDLO C=C(C)CN1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000362815115 267050394 /nfs/dbraw/zinc/05/03/94/267050394.db2.gz RPPULVJGHIUAFU-HNNXBMFYSA-N 1 2 284.363 1.692 20 30 CDEDLO CCOC[C@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CCO1 ZINC000528725466 267141621 /nfs/dbraw/zinc/14/16/21/267141621.db2.gz YPRBVKHBIBIOAM-HZPDHXFCSA-N 1 2 290.363 1.329 20 30 CDEDLO CCOC[C@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CCO1 ZINC000528725466 267141623 /nfs/dbraw/zinc/14/16/23/267141623.db2.gz YPRBVKHBIBIOAM-HZPDHXFCSA-N 1 2 290.363 1.329 20 30 CDEDLO N#CCSCC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000370544822 267328016 /nfs/dbraw/zinc/32/80/16/267328016.db2.gz ARCHZYIGNUSSMV-QWHCGFSZSA-N 1 2 297.424 1.003 20 30 CDEDLO N#Cc1cc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)ncn1 ZINC000530411048 268172182 /nfs/dbraw/zinc/17/21/82/268172182.db2.gz CZXUQEPEHPBULW-UHFFFAOYSA-N 1 2 294.293 1.707 20 30 CDEDLO COC(=O)C1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000399563661 270373746 /nfs/dbraw/zinc/37/37/46/270373746.db2.gz HORQZPYENZSYBT-UHFFFAOYSA-N 1 2 259.309 1.651 20 30 CDEDLO C[C@@H](O)CNc1cc(NCc2ccc(C#N)s2)nc[nH+]1 ZINC000420610912 270379682 /nfs/dbraw/zinc/37/96/82/270379682.db2.gz OVQJFGWCSJGYCD-SECBINFHSA-N 1 2 289.364 1.236 20 30 CDEDLO C[C@@H](O)CNc1cc(NCc2ccc(C#N)s2)[nH+]cn1 ZINC000420610912 270379683 /nfs/dbraw/zinc/37/96/83/270379683.db2.gz OVQJFGWCSJGYCD-SECBINFHSA-N 1 2 289.364 1.236 20 30 CDEDLO CCN1CCN(c2cc(C#N)ccn2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000376475643 276202544 /nfs/dbraw/zinc/20/25/44/276202544.db2.gz VKYFHICCJCFCLZ-CYBMUJFWSA-N 1 2 282.351 1.560 20 30 CDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccno1 ZINC000268346220 288282367 /nfs/dbraw/zinc/28/23/67/288282367.db2.gz QHLHPADYZGNANA-LLVKDONJSA-N 1 2 284.323 1.047 20 30 CDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccno1 ZINC000268346220 288282369 /nfs/dbraw/zinc/28/23/69/288282369.db2.gz QHLHPADYZGNANA-LLVKDONJSA-N 1 2 284.323 1.047 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)c1ccc(F)c(C#N)c1 ZINC000552413455 290069170 /nfs/dbraw/zinc/06/91/70/290069170.db2.gz FKFDYZUPUQXITF-UHFFFAOYSA-N 1 2 272.283 1.403 20 30 CDEDLO C[C@H]1C[N@H+](CCNc2nccc(C#N)c2Cl)CCO1 ZINC000553052519 290091363 /nfs/dbraw/zinc/09/13/63/290091363.db2.gz SCNDQFHHPALZNZ-JTQLQIEISA-N 1 2 280.759 1.161 20 30 CDEDLO C[C@H]1C[N@@H+](CCNc2nccc(C#N)c2Cl)CCO1 ZINC000553052519 290091365 /nfs/dbraw/zinc/09/13/65/290091365.db2.gz SCNDQFHHPALZNZ-JTQLQIEISA-N 1 2 280.759 1.161 20 30 CDEDLO Cc1nc(N[C@H](c2[nH+]ccn2C)C2CC2)ccc1C#N ZINC000562329584 293136374 /nfs/dbraw/zinc/13/63/74/293136374.db2.gz KZAVDVSZEOIPCD-AWEZNQCLSA-N 1 2 267.336 1.980 20 30 CDEDLO C[C@H](C(=O)N[C@@]1(C#N)CC1(C)C)[NH+]1CCSCC1 ZINC000336084783 298181902 /nfs/dbraw/zinc/18/19/02/298181902.db2.gz ZXRWCPKMFMKGAS-ZWNOBZJWSA-N 1 2 267.398 1.232 20 30 CDEDLO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC000329548033 300377761 /nfs/dbraw/zinc/37/77/61/300377761.db2.gz DVYGGICRVDCIML-NWDGAFQWSA-N 1 2 288.413 1.108 20 30 CDEDLO Cc1cccnc1/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000493618195 327896687 /nfs/dbraw/zinc/89/66/87/327896687.db2.gz PJBRRBUOWGRIRJ-KIUWMYQTSA-N 1 2 272.352 1.363 20 30 CDEDLO C[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC2(CCC2)O1 ZINC000577060510 317257755 /nfs/dbraw/zinc/25/77/55/317257755.db2.gz MSDXCTFUABMAFI-DOMZBBRYSA-N 1 2 299.374 1.728 20 30 CDEDLO C[C@@H]1C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC2(CCC2)O1 ZINC000577060510 317257757 /nfs/dbraw/zinc/25/77/57/317257757.db2.gz MSDXCTFUABMAFI-DOMZBBRYSA-N 1 2 299.374 1.728 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000577539555 317353026 /nfs/dbraw/zinc/35/30/26/317353026.db2.gz XCPUZHSMRGNZGJ-RISCZKNCSA-N 1 2 280.755 1.387 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000577539555 317353027 /nfs/dbraw/zinc/35/30/27/317353027.db2.gz XCPUZHSMRGNZGJ-RISCZKNCSA-N 1 2 280.755 1.387 20 30 CDEDLO CNC(=O)C1CCC(/[NH+]=C/c2cccc(O)c2O)CC1 ZINC000273177387 328204314 /nfs/dbraw/zinc/20/43/14/328204314.db2.gz GKTPNHPWEKGQKL-RQZCQDPDSA-N 1 2 276.336 1.822 20 30 CDEDLO N#CCCCCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000363481110 327210745 /nfs/dbraw/zinc/21/07/45/327210745.db2.gz QCWNDXARVDNYDM-UHFFFAOYSA-N 1 2 289.383 1.755 20 30 CDEDLO Cc1ccc(C)c(CO[NH+]=C(N)CN2CCOCC2)c1 ZINC000111182233 327277673 /nfs/dbraw/zinc/27/76/73/327277673.db2.gz QJPPSQPZQYRQBX-UHFFFAOYSA-N 1 2 277.368 1.424 20 30 CDEDLO N#CCCCS(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000126034295 327397602 /nfs/dbraw/zinc/39/76/02/327397602.db2.gz WSJDHJKETIBPQH-LLVKDONJSA-N 1 2 282.369 1.570 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000562341321 327473052 /nfs/dbraw/zinc/47/30/52/327473052.db2.gz FXAXUACBKALDBA-QWHCGFSZSA-N 1 2 274.368 1.948 20 30 CDEDLO CCCCn1ncc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1C ZINC000573005448 327575502 /nfs/dbraw/zinc/57/55/02/327575502.db2.gz PYYICGWXISPARG-OAHLLOKOSA-N 1 2 291.399 1.565 20 30 CDEDLO C[C@H](CC(=O)N1CCSC[C@@H]1C#N)n1cc[nH+]c1 ZINC000570519185 327597935 /nfs/dbraw/zinc/59/79/35/327597935.db2.gz DKJWHGXYVVXALR-MNOVXSKESA-N 1 2 264.354 1.302 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(-n2cccn2)cc1 ZINC000582609367 329116185 /nfs/dbraw/zinc/11/61/85/329116185.db2.gz OHFDXAYGSRFTFI-MRXNPFEDSA-N 1 2 297.362 1.446 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NC(=O)Nc1ccccc1 ZINC000582674216 329123491 /nfs/dbraw/zinc/12/34/91/329123491.db2.gz GOHWZEJZTAJLGA-NSHDSACASA-N 1 2 274.324 1.617 20 30 CDEDLO C[C@@H]1CCCN(C(=O)C[N@H+](CCC#N)CC2CC2)C1 ZINC000177030551 329178511 /nfs/dbraw/zinc/17/85/11/329178511.db2.gz GNUODVDAOYUWJN-CYBMUJFWSA-N 1 2 263.385 1.871 20 30 CDEDLO C[C@@H]1CCCN(C(=O)C[N@@H+](CCC#N)CC2CC2)C1 ZINC000177030551 329178512 /nfs/dbraw/zinc/17/85/12/329178512.db2.gz GNUODVDAOYUWJN-CYBMUJFWSA-N 1 2 263.385 1.871 20 30 CDEDLO C=C(C)CN(C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000181158083 329233138 /nfs/dbraw/zinc/23/31/38/329233138.db2.gz WHJYHRIHVBSCJF-OLZOCXBDSA-N 1 2 269.389 1.313 20 30 CDEDLO C=CC[N@@H+](C)Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000121131874 330396859 /nfs/dbraw/zinc/39/68/59/330396859.db2.gz HGUTXYQRSRQHRW-UHFFFAOYSA-N 1 2 288.330 1.954 20 30 CDEDLO C=CC[N@H+](C)Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000121131874 330396860 /nfs/dbraw/zinc/39/68/60/330396860.db2.gz HGUTXYQRSRQHRW-UHFFFAOYSA-N 1 2 288.330 1.954 20 30 CDEDLO C=CCNC(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000441199809 330762926 /nfs/dbraw/zinc/76/29/26/330762926.db2.gz DWNIQIVHRGNNGC-HNNXBMFYSA-N 1 2 297.399 1.278 20 30 CDEDLO C=C(C)CCNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000455315931 331165802 /nfs/dbraw/zinc/16/58/02/331165802.db2.gz VBLXNQIWQZKTMS-UHFFFAOYSA-N 1 2 288.395 1.875 20 30 CDEDLO C=C(CC)CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000456810764 331204777 /nfs/dbraw/zinc/20/47/77/331204777.db2.gz HARPNPWEAHLJGX-CQSZACIVSA-N 1 2 266.385 1.570 20 30 CDEDLO C=C(CC)CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000456810764 331204778 /nfs/dbraw/zinc/20/47/78/331204778.db2.gz HARPNPWEAHLJGX-CQSZACIVSA-N 1 2 266.385 1.570 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000464520397 331361814 /nfs/dbraw/zinc/36/18/14/331361814.db2.gz ICUBTOCGHZETDD-RRFJBIMHSA-N 1 2 296.411 1.147 20 30 CDEDLO N#CCCCC(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000488579258 332018792 /nfs/dbraw/zinc/01/87/92/332018792.db2.gz HQVKZEAQRCGRQF-CYBMUJFWSA-N 1 2 258.325 1.248 20 30 CDEDLO C#CC[N@@H+](Cc1ccccc1CC)[C@@H]1CCS(=O)(=O)C1 ZINC000490711589 332106786 /nfs/dbraw/zinc/10/67/86/332106786.db2.gz AJIOQWWGKPIYCL-MRXNPFEDSA-N 1 2 291.416 1.871 20 30 CDEDLO C#CC[N@H+](Cc1ccccc1CC)[C@@H]1CCS(=O)(=O)C1 ZINC000490711589 332106788 /nfs/dbraw/zinc/10/67/88/332106788.db2.gz AJIOQWWGKPIYCL-MRXNPFEDSA-N 1 2 291.416 1.871 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)CC2(F)CC2)n1 ZINC000490712566 332107012 /nfs/dbraw/zinc/10/70/12/332107012.db2.gz FKEJEOQIXXHXCN-UHFFFAOYSA-N 1 2 265.332 1.467 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)CC2(F)CC2)n1 ZINC000490712566 332107014 /nfs/dbraw/zinc/10/70/14/332107014.db2.gz FKEJEOQIXXHXCN-UHFFFAOYSA-N 1 2 265.332 1.467 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000491372411 332199095 /nfs/dbraw/zinc/19/90/95/332199095.db2.gz JHCNBVUBLMSPCT-AWEZNQCLSA-N 1 2 268.320 1.101 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000491372411 332199096 /nfs/dbraw/zinc/19/90/96/332199096.db2.gz JHCNBVUBLMSPCT-AWEZNQCLSA-N 1 2 268.320 1.101 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000491425762 332209008 /nfs/dbraw/zinc/20/90/08/332209008.db2.gz CFNHKLHKBGJXDK-JTQLQIEISA-N 1 2 291.307 1.495 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000491425762 332209009 /nfs/dbraw/zinc/20/90/09/332209009.db2.gz CFNHKLHKBGJXDK-JTQLQIEISA-N 1 2 291.307 1.495 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1nnc(-c2sccc2C)o1 ZINC000491484934 332219956 /nfs/dbraw/zinc/21/99/56/332219956.db2.gz LUBLVLCYTFSGFU-UHFFFAOYSA-N 1 2 290.348 1.610 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1nnc(-c2sccc2C)o1 ZINC000491484934 332219958 /nfs/dbraw/zinc/21/99/58/332219958.db2.gz LUBLVLCYTFSGFU-UHFFFAOYSA-N 1 2 290.348 1.610 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000491495154 332222483 /nfs/dbraw/zinc/22/24/83/332222483.db2.gz GZNZAPVWFMRAET-LLVKDONJSA-N 1 2 276.336 1.596 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000491495154 332222484 /nfs/dbraw/zinc/22/24/84/332222484.db2.gz GZNZAPVWFMRAET-LLVKDONJSA-N 1 2 276.336 1.596 20 30 CDEDLO C#CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000491736094 332316373 /nfs/dbraw/zinc/31/63/73/332316373.db2.gz UTJPHQQYQCAXFF-CYBMUJFWSA-N 1 2 271.364 1.850 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000491769405 332336486 /nfs/dbraw/zinc/33/64/86/332336486.db2.gz LMGDOJGCWYRMCV-GFCCVEGCSA-N 1 2 277.368 1.542 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000491769405 332336487 /nfs/dbraw/zinc/33/64/87/332336487.db2.gz LMGDOJGCWYRMCV-GFCCVEGCSA-N 1 2 277.368 1.542 20 30 CDEDLO CCn1cc[nH+]c1/C=C/C(=O)N1CCSC[C@H]1C#N ZINC000492369278 332394481 /nfs/dbraw/zinc/39/44/81/332394481.db2.gz VFYRYPACFYXJHO-PGLGOXFNSA-N 1 2 276.365 1.384 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000575507955 335106316 /nfs/dbraw/zinc/10/63/16/335106316.db2.gz VGFVHUBQACZGSV-OLZOCXBDSA-N 1 2 290.367 1.459 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000575507955 335106318 /nfs/dbraw/zinc/10/63/18/335106318.db2.gz VGFVHUBQACZGSV-OLZOCXBDSA-N 1 2 290.367 1.459 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1ccc2c(c1)CCO2 ZINC000493588203 332446088 /nfs/dbraw/zinc/44/60/88/332446088.db2.gz MPTDBYXFRCJTKB-XTKXOIQPSA-N 1 2 299.374 1.595 20 30 CDEDLO CC(C)[C@H]([NH2+]CC1(C#N)CC1)c1nc(-c2nc[nH]n2)no1 ZINC000494680637 332482835 /nfs/dbraw/zinc/48/28/35/332482835.db2.gz ISHRRPNKPLEPCY-VIFPVBQESA-N 1 2 287.327 1.445 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(F)cc1Cl ZINC000192220183 333232629 /nfs/dbraw/zinc/23/26/29/333232629.db2.gz AYOZJQLSCJIUIN-UHFFFAOYSA-N 1 2 254.692 1.983 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(F)cc1Cl ZINC000192220183 333232627 /nfs/dbraw/zinc/23/26/27/333232627.db2.gz AYOZJQLSCJIUIN-UHFFFAOYSA-N 1 2 254.692 1.983 20 30 CDEDLO C=CCn1cc(CNc2nc(C)[nH+]c3c2CCCC3)nn1 ZINC000576393309 335197702 /nfs/dbraw/zinc/19/77/02/335197702.db2.gz ICYOPYXCWFWDGZ-UHFFFAOYSA-N 1 2 284.367 1.475 20 30 CDEDLO C=CCCOCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000576589208 335223187 /nfs/dbraw/zinc/22/31/87/335223187.db2.gz ZQHNGPVSZVSCJF-LBPRGKRZSA-N 1 2 251.330 1.543 20 30 CDEDLO C[C@@H](C#N)CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000179984659 335538301 /nfs/dbraw/zinc/53/83/01/335538301.db2.gz FSURIDVSLPYSQO-NSHDSACASA-N 1 2 297.318 1.087 20 30 CDEDLO CC[C@H](C)n1nc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1C ZINC000578753801 335670671 /nfs/dbraw/zinc/67/06/71/335670671.db2.gz GTBNLQABVQQREK-XHDPSFHLSA-N 1 2 291.399 1.736 20 30 CDEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ncc(C)s1 ZINC000185016894 335944350 /nfs/dbraw/zinc/94/43/50/335944350.db2.gz QEGJNFDAEKPJRJ-SECBINFHSA-N 1 2 282.369 1.114 20 30 CDEDLO C[NH+](C)[C@@H](CNC[C@H](C#N)CCC#N)c1ccco1 ZINC000581243766 336030020 /nfs/dbraw/zinc/03/00/20/336030020.db2.gz UREKYVNVNDFAHH-STQMWFEESA-N 1 2 260.341 1.915 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H](F)C(C)C ZINC001754970592 1159493709 /nfs/dbraw/zinc/49/37/09/1159493709.db2.gz VZDWSAGCAGBMHE-STQMWFEESA-N 1 2 272.364 1.374 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H](F)C(C)C ZINC001754970592 1159493712 /nfs/dbraw/zinc/49/37/12/1159493712.db2.gz VZDWSAGCAGBMHE-STQMWFEESA-N 1 2 272.364 1.374 20 30 CDEDLO COCC#CC[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000677479059 482682532 /nfs/dbraw/zinc/68/25/32/482682532.db2.gz IXFPVIGMOYKCDD-UHFFFAOYSA-N 1 2 282.290 1.485 20 30 CDEDLO COCC#CC[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000677479059 482682537 /nfs/dbraw/zinc/68/25/37/482682537.db2.gz IXFPVIGMOYKCDD-UHFFFAOYSA-N 1 2 282.290 1.485 20 30 CDEDLO C=CCOc1ccc(CC(=O)NCc2c[nH+]cn2C)cc1 ZINC000295914646 482686844 /nfs/dbraw/zinc/68/68/44/482686844.db2.gz DZKCWFAHGTYLPP-UHFFFAOYSA-N 1 2 285.347 1.844 20 30 CDEDLO C=CCN(C(=O)Nc1cc[nH+]c(C)c1)[C@@H](C)COC ZINC000666491746 482734654 /nfs/dbraw/zinc/73/46/54/482734654.db2.gz AJSUMGRCKQOPJP-LBPRGKRZSA-N 1 2 263.341 1.867 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2CC)C1=O ZINC000684967180 483042938 /nfs/dbraw/zinc/04/29/38/483042938.db2.gz SUEDEKHWBUJWKD-CQSZACIVSA-N 1 2 276.384 1.201 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cn(C)nc2CC)C1=O ZINC000684967180 483042942 /nfs/dbraw/zinc/04/29/42/483042942.db2.gz SUEDEKHWBUJWKD-CQSZACIVSA-N 1 2 276.384 1.201 20 30 CDEDLO COCC#CC[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000680427866 483618542 /nfs/dbraw/zinc/61/85/42/483618542.db2.gz XNKUDBRGHIXVRZ-ZDUSSCGKSA-N 1 2 285.347 1.961 20 30 CDEDLO Cc1nc(N[C@H]2C[C@H](C)N(C(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001123225473 1161171250 /nfs/dbraw/zinc/17/12/50/1161171250.db2.gz YJASAGPJOSNBOR-JSGCOSHPSA-N 1 2 286.379 1.846 20 30 CDEDLO COCCO[NH+]=Cc1sc(N2CCOCC2)nc1C ZINC001116837833 1161435501 /nfs/dbraw/zinc/43/55/01/1161435501.db2.gz NAIUYNKOQWPLRJ-UHFFFAOYSA-N 1 2 285.369 1.285 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)C(C)C)C1 ZINC001108253288 1161967123 /nfs/dbraw/zinc/96/71/23/1161967123.db2.gz HFHAFQGVXLXXKB-UKRRQHHQSA-N 1 2 268.401 1.672 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)C(C)C)C1 ZINC001108253288 1161967126 /nfs/dbraw/zinc/96/71/26/1161967126.db2.gz HFHAFQGVXLXXKB-UKRRQHHQSA-N 1 2 268.401 1.672 20 30 CDEDLO O=C(CN1CCC[C@H]1c1[nH]cc[nH+]1)NC(=O)NC1CC1 ZINC000329257012 534336645 /nfs/dbraw/zinc/33/66/45/534336645.db2.gz XXRDATQWEDDGMK-JTQLQIEISA-N 1 2 277.328 1.580 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000184157847 518894648 /nfs/dbraw/zinc/89/46/48/518894648.db2.gz UKZLRYHCUADCTN-ZDUSSCGKSA-N 1 2 280.368 1.885 20 30 CDEDLO Cc1cn2cc(NC(=O)[C@@H]3CCC(=O)N3C)ccc2[nH+]1 ZINC000329432989 534516512 /nfs/dbraw/zinc/51/65/12/534516512.db2.gz KTLIQFBMCHEDSV-NSHDSACASA-N 1 2 272.308 1.852 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)NCc1ccc(N)[nH+]c1 ZINC000338441650 523533513 /nfs/dbraw/zinc/53/35/13/523533513.db2.gz FXKCBKMBXDFOPI-UHFFFAOYSA-N 1 2 297.318 1.696 20 30 CDEDLO O=C(NC1CCOCC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329990950 534749939 /nfs/dbraw/zinc/74/99/39/534749939.db2.gz JMACLEVSOGSYCJ-AWEZNQCLSA-N 1 2 282.384 1.765 20 30 CDEDLO O=C(NC1CCOCC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329990950 534749946 /nfs/dbraw/zinc/74/99/46/534749946.db2.gz JMACLEVSOGSYCJ-AWEZNQCLSA-N 1 2 282.384 1.765 20 30 CDEDLO C=CC[N@@H+](CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000355891311 526273695 /nfs/dbraw/zinc/27/36/95/526273695.db2.gz NYTFQWNUAYSQGY-VIFPVBQESA-N 1 2 271.304 1.614 20 30 CDEDLO C=CC[N@H+](CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000355891311 526273698 /nfs/dbraw/zinc/27/36/98/526273698.db2.gz NYTFQWNUAYSQGY-VIFPVBQESA-N 1 2 271.304 1.614 20 30 CDEDLO C=C(C)C[N@H+](CC(=O)NC1CC1)Cc1ccc(CO)o1 ZINC000352797088 526509539 /nfs/dbraw/zinc/50/95/39/526509539.db2.gz ANCKNLAKJOOKCD-UHFFFAOYSA-N 1 2 278.352 1.429 20 30 CDEDLO C=C(C)C[N@@H+](CC(=O)NC1CC1)Cc1ccc(CO)o1 ZINC000352797088 526509542 /nfs/dbraw/zinc/50/95/42/526509542.db2.gz ANCKNLAKJOOKCD-UHFFFAOYSA-N 1 2 278.352 1.429 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)N(C)C[C@H](C)C#N ZINC000049424694 527163976 /nfs/dbraw/zinc/16/39/76/527163976.db2.gz VGKMERIZDGEOAT-LLVKDONJSA-N 1 2 270.336 1.963 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)N(C)C[C@@H](C)C#N ZINC000049424693 527164397 /nfs/dbraw/zinc/16/43/97/527164397.db2.gz VGKMERIZDGEOAT-NSHDSACASA-N 1 2 270.336 1.963 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000333050118 527501968 /nfs/dbraw/zinc/50/19/68/527501968.db2.gz BKMIUSFFYLCRRX-OLZOCXBDSA-N 1 2 290.367 1.642 20 30 CDEDLO CCN1CCN(C(=O)[C@@](C)(C#N)CC)C[C@H]1c1[nH]cc[nH+]1 ZINC000354974913 529131833 /nfs/dbraw/zinc/13/18/33/529131833.db2.gz OJBNTYRBVLQFNG-SWLSCSKDSA-N 1 2 289.383 1.555 20 30 CDEDLO Cc1cn2cc(NC(=O)N3C[C@H](F)C[C@H]3CO)ccc2[nH+]1 ZINC000328599309 538238260 /nfs/dbraw/zinc/23/82/60/538238260.db2.gz BWRMDPCFEJOLSR-PWSUYJOCSA-N 1 2 292.314 1.593 20 30 CDEDLO COc1c(O)c(C[N@H+](C)C[C@@H](C)C#N)ccc1[N+](=O)[O-] ZINC000774839881 575245636 /nfs/dbraw/zinc/24/56/36/575245636.db2.gz FWUKNNDSONCYOQ-VIFPVBQESA-N 1 2 279.296 1.900 20 30 CDEDLO COc1c(O)c(C[N@@H+](C)C[C@@H](C)C#N)ccc1[N+](=O)[O-] ZINC000774839881 575245640 /nfs/dbraw/zinc/24/56/40/575245640.db2.gz FWUKNNDSONCYOQ-VIFPVBQESA-N 1 2 279.296 1.900 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCCC2)cn1 ZINC000730104138 574850463 /nfs/dbraw/zinc/85/04/63/574850463.db2.gz ITJFRDFKWRRAPN-HNNXBMFYSA-N 1 2 298.390 1.718 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCCC2)cn1 ZINC000730104138 574850465 /nfs/dbraw/zinc/85/04/65/574850465.db2.gz ITJFRDFKWRRAPN-HNNXBMFYSA-N 1 2 298.390 1.718 20 30 CDEDLO C=CCOC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000731248492 575042512 /nfs/dbraw/zinc/04/25/12/575042512.db2.gz OKPOZFZDAUWBSV-OAHLLOKOSA-N 1 2 275.348 1.914 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)c1ccc(OC)nc1 ZINC000732063382 575077466 /nfs/dbraw/zinc/07/74/66/575077466.db2.gz OUSJTNQVWHUFPB-ZDUSSCGKSA-N 1 2 273.336 1.151 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)c1ccc(OC)nc1 ZINC000732063382 575077467 /nfs/dbraw/zinc/07/74/67/575077467.db2.gz OUSJTNQVWHUFPB-ZDUSSCGKSA-N 1 2 273.336 1.151 20 30 CDEDLO N#CCCN1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000760943402 576527625 /nfs/dbraw/zinc/52/76/25/576527625.db2.gz LXLXMNYZUDYTTK-OAHLLOKOSA-N 1 2 293.798 1.905 20 30 CDEDLO Cc1ccc(CCC=NNC(=S)NC2CC2)c[nH+]1 ZINC000774344503 575200339 /nfs/dbraw/zinc/20/03/39/575200339.db2.gz RGZUJPYSSPJOKB-UHFFFAOYSA-N 1 2 262.382 1.935 20 30 CDEDLO Cc1nnc([C@H](C)O[NH+]=C(N)c2ccc(F)cc2)o1 ZINC000735919269 575535033 /nfs/dbraw/zinc/53/50/33/575535033.db2.gz JKGWVQMYWYKFSJ-ZETCQYMHSA-N 1 2 264.260 1.915 20 30 CDEDLO N#Cc1ccc(NCC(=O)OCCn2cc[nH+]c2)cc1 ZINC000771926082 575637406 /nfs/dbraw/zinc/63/74/06/575637406.db2.gz OBKSOIVFKLCKKY-UHFFFAOYSA-N 1 2 270.292 1.410 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CCC(=O)NC1=NO[C@@H](C)C1 ZINC000773539602 575821517 /nfs/dbraw/zinc/82/15/17/575821517.db2.gz XTUAPZRPRPMLAU-JTQLQIEISA-N 1 2 286.335 1.973 20 30 CDEDLO CCC(CC)[C@H](C(=O)NC1=NO[C@H](C)C1)[NH+]1CCOCC1 ZINC000765375241 576012739 /nfs/dbraw/zinc/01/27/39/576012739.db2.gz GMMFHZFXURBZBT-BXUZGUMPSA-N 1 2 297.399 1.362 20 30 CDEDLO Cc1cc[nH+]cc1CCC=Nn1c(=O)cn[nH]c1=S ZINC000766475288 576106316 /nfs/dbraw/zinc/10/63/16/576106316.db2.gz RUYRLXJNOFVLTC-UHFFFAOYSA-N 1 2 275.337 1.097 20 30 CDEDLO N#Cc1csc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000767565775 576205557 /nfs/dbraw/zinc/20/55/57/576205557.db2.gz OJYXASZLJFKWSR-TXEJJXNPSA-N 1 2 292.360 1.640 20 30 CDEDLO N#Cc1csc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000767565775 576205559 /nfs/dbraw/zinc/20/55/59/576205559.db2.gz OJYXASZLJFKWSR-TXEJJXNPSA-N 1 2 292.360 1.640 20 30 CDEDLO C=CCn1nnn(CN(C)CCCn2cc[nH+]c2)c1=S ZINC000767756582 576226370 /nfs/dbraw/zinc/22/63/70/576226370.db2.gz RURDRZOAQMKSPG-UHFFFAOYSA-N 1 2 293.400 1.171 20 30 CDEDLO C#CCSCCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000767949766 576241126 /nfs/dbraw/zinc/24/11/26/576241126.db2.gz IZEKEZCPEQISNI-UHFFFAOYSA-N 1 2 263.366 1.608 20 30 CDEDLO C#CCOc1ccc(CN2CCn3cc[nH+]c3C2)cc1 ZINC000769258932 576340749 /nfs/dbraw/zinc/34/07/49/576340749.db2.gz RMAVEIQCYDERSU-UHFFFAOYSA-N 1 2 267.332 1.911 20 30 CDEDLO N#CCOc1ccc(C[N@@H+]2CCc3nn[nH]c3C2)cc1 ZINC000759519805 576396906 /nfs/dbraw/zinc/39/69/06/576396906.db2.gz RSRLWSBPJBDJDI-UHFFFAOYSA-N 1 2 269.308 1.265 20 30 CDEDLO N#CCOc1ccc(C[N@H+]2CCc3nn[nH]c3C2)cc1 ZINC000759519805 576396908 /nfs/dbraw/zinc/39/69/08/576396908.db2.gz RSRLWSBPJBDJDI-UHFFFAOYSA-N 1 2 269.308 1.265 20 30 CDEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)[C@@H]1CCOC1 ZINC000761838800 576596894 /nfs/dbraw/zinc/59/68/94/576596894.db2.gz MABOOJMVEVZYEM-LLVKDONJSA-N 1 2 272.312 1.487 20 30 CDEDLO C#CC[N@@H+](CC)Cc1csc(-c2cnn(C)c2)n1 ZINC000746456648 576776719 /nfs/dbraw/zinc/77/67/19/576776719.db2.gz DGRGTTFQEWUWAY-UHFFFAOYSA-N 1 2 260.366 1.999 20 30 CDEDLO C#CC[N@H+](CC)Cc1csc(-c2cnn(C)c2)n1 ZINC000746456648 576776720 /nfs/dbraw/zinc/77/67/20/576776720.db2.gz DGRGTTFQEWUWAY-UHFFFAOYSA-N 1 2 260.366 1.999 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)Cc1ncc(CC)s1 ZINC000747438001 576870590 /nfs/dbraw/zinc/87/05/90/576870590.db2.gz GDDCQXJJVJIWLQ-ZDUSSCGKSA-N 1 2 291.420 1.762 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1ncc(CC)s1 ZINC000747438001 576870591 /nfs/dbraw/zinc/87/05/91/576870591.db2.gz GDDCQXJJVJIWLQ-ZDUSSCGKSA-N 1 2 291.420 1.762 20 30 CDEDLO C=CCNC(=S)NCCc1cn2cccc(C)c2[nH+]1 ZINC000747657079 576878896 /nfs/dbraw/zinc/87/88/96/576878896.db2.gz DONLOIVVMLCGNJ-UHFFFAOYSA-N 1 2 274.393 1.835 20 30 CDEDLO Cc1sc2ncn(N=Cc3c[nH+]cn3C)c(=O)c2c1C ZINC000755519105 576948156 /nfs/dbraw/zinc/94/81/56/576948156.db2.gz PXHFLRHAWOZOKM-UHFFFAOYSA-N 1 2 287.348 1.691 20 30 CDEDLO CCN(CC)C(=O)[C@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000749787224 576962208 /nfs/dbraw/zinc/96/22/08/576962208.db2.gz GXTCGNNZYTUIMV-JTQLQIEISA-N 1 2 281.331 1.720 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCS1 ZINC000751920523 577074679 /nfs/dbraw/zinc/07/46/79/577074679.db2.gz WKTQWAHETKMBAR-OLZOCXBDSA-N 1 2 266.410 1.486 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCS1 ZINC000751920523 577074680 /nfs/dbraw/zinc/07/46/80/577074680.db2.gz WKTQWAHETKMBAR-OLZOCXBDSA-N 1 2 266.410 1.486 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)C2(C#N)CC(C)C2)CC1 ZINC000758206972 577080714 /nfs/dbraw/zinc/08/07/14/577080714.db2.gz KWUOLPYANNCDAY-UHFFFAOYSA-N 1 2 259.353 1.094 20 30 CDEDLO C#CCNC(=S)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000758218066 577083775 /nfs/dbraw/zinc/08/37/75/577083775.db2.gz XDSVJGBTKCJXIC-UHFFFAOYSA-N 1 2 277.393 1.647 20 30 CDEDLO CC[C@H]1C[N@H+](Cn2ccc(C)c(C#N)c2=O)CCS1 ZINC000758232318 577086966 /nfs/dbraw/zinc/08/69/66/577086966.db2.gz QAMAAIYDWDUNOG-LBPRGKRZSA-N 1 2 277.393 1.813 20 30 CDEDLO CC[C@H]1C[N@@H+](Cn2ccc(C)c(C#N)c2=O)CCS1 ZINC000758232318 577086968 /nfs/dbraw/zinc/08/69/68/577086968.db2.gz QAMAAIYDWDUNOG-LBPRGKRZSA-N 1 2 277.393 1.813 20 30 CDEDLO C[N@H+](CCC#N)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821598077 606978361 /nfs/dbraw/zinc/97/83/61/606978361.db2.gz QCVRRQOOOSETLV-UHFFFAOYSA-N 1 2 260.276 1.351 20 30 CDEDLO C[N@@H+](CCC#N)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821598077 606978363 /nfs/dbraw/zinc/97/83/63/606978363.db2.gz QCVRRQOOOSETLV-UHFFFAOYSA-N 1 2 260.276 1.351 20 30 CDEDLO C#CCC[NH+]1CC([C@H](C)NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC000970860362 612997774 /nfs/dbraw/zinc/99/77/74/612997774.db2.gz DMIKPCSLYPKSGD-NSHDSACASA-N 1 2 297.362 1.031 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000981854583 613156385 /nfs/dbraw/zinc/15/63/85/613156385.db2.gz WJQJBHVITCWMFS-UHFFFAOYSA-N 1 2 296.292 1.885 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000981854583 613156387 /nfs/dbraw/zinc/15/63/87/613156387.db2.gz WJQJBHVITCWMFS-UHFFFAOYSA-N 1 2 296.292 1.885 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+](CCF)CC2(C)C)nc1 ZINC000977514012 613191549 /nfs/dbraw/zinc/19/15/49/613191549.db2.gz OAJLFHWOUCOOKJ-AWEZNQCLSA-N 1 2 289.354 1.473 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@H+](CCF)CC2(C)C)nc1 ZINC000977514012 613191551 /nfs/dbraw/zinc/19/15/51/613191551.db2.gz OAJLFHWOUCOOKJ-AWEZNQCLSA-N 1 2 289.354 1.473 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)SC)C2)C1 ZINC000972341066 613212197 /nfs/dbraw/zinc/21/21/97/613212197.db2.gz AKVVXPNGKCZAOU-UKRRQHHQSA-N 1 2 296.436 1.065 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)SC)C2)C1 ZINC000972341066 613212201 /nfs/dbraw/zinc/21/22/01/613212201.db2.gz AKVVXPNGKCZAOU-UKRRQHHQSA-N 1 2 296.436 1.065 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC3(C)C)C2)C1 ZINC000972510783 613212400 /nfs/dbraw/zinc/21/24/00/613212400.db2.gz PUWJFPNSRQPOGL-WMLDXEAASA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC3(C)C)C2)C1 ZINC000972510783 613212401 /nfs/dbraw/zinc/21/24/01/613212401.db2.gz PUWJFPNSRQPOGL-WMLDXEAASA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3[nH]nnc3c2)[C@H](C)C1 ZINC000944811922 613236329 /nfs/dbraw/zinc/23/63/29/613236329.db2.gz QDBSJWVBGMXRGJ-DGCLKSJQSA-N 1 2 297.362 1.031 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3[nH]nnc3c2)[C@H](C)C1 ZINC000944811922 613236331 /nfs/dbraw/zinc/23/63/31/613236331.db2.gz QDBSJWVBGMXRGJ-DGCLKSJQSA-N 1 2 297.362 1.031 20 30 CDEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccon1 ZINC000948893860 613280107 /nfs/dbraw/zinc/28/01/07/613280107.db2.gz FVRMXUOOHYYBCT-MRXNPFEDSA-N 1 2 295.342 1.637 20 30 CDEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccon1 ZINC000948893860 613280109 /nfs/dbraw/zinc/28/01/09/613280109.db2.gz FVRMXUOOHYYBCT-MRXNPFEDSA-N 1 2 295.342 1.637 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCO2)C1 ZINC000949623032 613295589 /nfs/dbraw/zinc/29/55/89/613295589.db2.gz YYTSPEFARSNDJQ-CYBMUJFWSA-N 1 2 252.358 1.274 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnc(C)n2C)C1 ZINC000951380145 613297053 /nfs/dbraw/zinc/29/70/53/613297053.db2.gz MTUSWXYSKCGNTF-UHFFFAOYSA-N 1 2 276.384 1.451 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cccnc2)C1 ZINC000949575836 613297125 /nfs/dbraw/zinc/29/71/25/613297125.db2.gz HWUUBVVOYVHZOJ-UHFFFAOYSA-N 1 2 259.353 1.804 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2nn(C)cc2Cl)C1 ZINC000950406429 613298129 /nfs/dbraw/zinc/29/81/29/613298129.db2.gz RIOSRYKFVYJENI-UHFFFAOYSA-N 1 2 296.802 1.796 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnn(C(C)(C)C)c2)CC1 ZINC000949039342 613321692 /nfs/dbraw/zinc/32/16/92/613321692.db2.gz JERHSTKUMZNRHX-UHFFFAOYSA-N 1 2 290.411 1.972 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCOC2)C1 ZINC000969366575 613372167 /nfs/dbraw/zinc/37/21/67/613372167.db2.gz WBBTUHKAUAAZJG-WDEREUQCSA-N 1 2 272.776 1.212 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC000965375847 613375881 /nfs/dbraw/zinc/37/58/81/613375881.db2.gz WYJGBPVFSNMNLJ-NOZJJQNGSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC000965375847 613375882 /nfs/dbraw/zinc/37/58/82/613375882.db2.gz WYJGBPVFSNMNLJ-NOZJJQNGSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ncc[nH]2)C1 ZINC000966002729 613378198 /nfs/dbraw/zinc/37/81/98/613378198.db2.gz FAPRSLAGHANNPH-GXSJLCMTSA-N 1 2 282.775 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ncc[nH]2)C1 ZINC000966002729 613378199 /nfs/dbraw/zinc/37/81/99/613378199.db2.gz FAPRSLAGHANNPH-GXSJLCMTSA-N 1 2 282.775 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cncn2C)C(C)(C)C1 ZINC000974788831 613381137 /nfs/dbraw/zinc/38/11/37/613381137.db2.gz MEVCIMQSFQWTET-LBPRGKRZSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cncn2C)C(C)(C)C1 ZINC000974788831 613381138 /nfs/dbraw/zinc/38/11/38/613381138.db2.gz MEVCIMQSFQWTET-LBPRGKRZSA-N 1 2 296.802 1.613 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCc2ccsc2)CC1 ZINC000948765155 613561823 /nfs/dbraw/zinc/56/18/23/613561823.db2.gz YIOJONJGCMBODM-UHFFFAOYSA-N 1 2 276.405 1.848 20 30 CDEDLO O=C(NCC#C[C@@H]1CCCCO1)c1cc2c[nH+]ccc2[nH]1 ZINC000891107184 617363889 /nfs/dbraw/zinc/36/38/89/617363889.db2.gz AWILHADLTCQYTI-ZDUSSCGKSA-N 1 2 283.331 1.865 20 30 CDEDLO C=CC[N@@H+]1CCCN(C(=O)c2ccns2)CC1 ZINC000981266583 613697852 /nfs/dbraw/zinc/69/78/52/613697852.db2.gz GKXOFMIVPRKZDN-UHFFFAOYSA-N 1 2 251.355 1.477 20 30 CDEDLO C=CC[N@H+]1CCCN(C(=O)c2ccns2)CC1 ZINC000981266583 613697856 /nfs/dbraw/zinc/69/78/56/613697856.db2.gz GKXOFMIVPRKZDN-UHFFFAOYSA-N 1 2 251.355 1.477 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CC[C@@H]2CC[C@@H](C)O2)CC1 ZINC000957727820 613707649 /nfs/dbraw/zinc/70/76/49/613707649.db2.gz PVGIXCKTAMQLTF-KGLIPLIRSA-N 1 2 266.385 1.664 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2csc(C)n2)CC1 ZINC000957580517 613710119 /nfs/dbraw/zinc/71/01/19/613710119.db2.gz OONSUTBWYHGDCD-UHFFFAOYSA-N 1 2 265.382 1.324 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc3n2CCCC3)CC1 ZINC000949824760 613718352 /nfs/dbraw/zinc/71/83/52/613718352.db2.gz NXWIOMCFSAWAOK-UHFFFAOYSA-N 1 2 274.368 1.163 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2n[nH]c3c2C[C@@H](C)CC3)CC1 ZINC000956993640 613718613 /nfs/dbraw/zinc/71/86/13/613718613.db2.gz TXEKRYIURMTCON-LBPRGKRZSA-N 1 2 288.395 1.478 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(F)F)C2)C1 ZINC000972216173 613725271 /nfs/dbraw/zinc/72/52/71/613725271.db2.gz UOUGZURREDSMFS-CYBMUJFWSA-N 1 2 274.311 1.131 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(F)F)C2)C1 ZINC000972216173 613725275 /nfs/dbraw/zinc/72/52/75/613725275.db2.gz UOUGZURREDSMFS-CYBMUJFWSA-N 1 2 274.311 1.131 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(F)CCCC3)C2)C1 ZINC000972440785 613725351 /nfs/dbraw/zinc/72/53/51/613725351.db2.gz LCLGOBCXDKJUFE-OAHLLOKOSA-N 1 2 296.386 1.758 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(F)CCCC3)C2)C1 ZINC000972440785 613725353 /nfs/dbraw/zinc/72/53/53/613725353.db2.gz LCLGOBCXDKJUFE-OAHLLOKOSA-N 1 2 296.386 1.758 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccsc3)C2)C1 ZINC000972241149 613727437 /nfs/dbraw/zinc/72/74/37/613727437.db2.gz CWFLFJGZQQCGAV-OAHLLOKOSA-N 1 2 292.404 1.851 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccsc3)C2)C1 ZINC000972241149 613727441 /nfs/dbraw/zinc/72/74/41/613727441.db2.gz CWFLFJGZQQCGAV-OAHLLOKOSA-N 1 2 292.404 1.851 20 30 CDEDLO C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnns2)C1 ZINC000965392509 613731383 /nfs/dbraw/zinc/73/13/83/613731383.db2.gz CZSVLVLEHNSXOE-ZJUUUORDSA-N 1 2 266.370 1.164 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnns2)C1 ZINC000965392509 613731384 /nfs/dbraw/zinc/73/13/84/613731384.db2.gz CZSVLVLEHNSXOE-ZJUUUORDSA-N 1 2 266.370 1.164 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1ccccc1OCC(=O)OC ZINC000892068135 617460974 /nfs/dbraw/zinc/46/09/74/617460974.db2.gz GBIWTQHPGQXTGU-UHFFFAOYSA-N 1 2 285.343 1.697 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1ccccc1OCC(=O)OC ZINC000892068135 617460977 /nfs/dbraw/zinc/46/09/77/617460977.db2.gz GBIWTQHPGQXTGU-UHFFFAOYSA-N 1 2 285.343 1.697 20 30 CDEDLO C=CC(C)(C)NC(=O)NCCCCn1cc[nH+]c1 ZINC000892228287 617565679 /nfs/dbraw/zinc/56/56/79/617565679.db2.gz OMBDLFHGGZFRFW-UHFFFAOYSA-N 1 2 250.346 1.927 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])C1CC1 ZINC000893612244 617669711 /nfs/dbraw/zinc/66/97/11/617669711.db2.gz PEYLJSAJBQWYGI-UHFFFAOYSA-N 1 2 276.292 1.907 20 30 CDEDLO C#CC[N@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])C1CC1 ZINC000893612244 617669729 /nfs/dbraw/zinc/66/97/29/617669729.db2.gz PEYLJSAJBQWYGI-UHFFFAOYSA-N 1 2 276.292 1.907 20 30 CDEDLO CC(C)(C)OC(=O)NC[C@@](C)(O)C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932155029 617954732 /nfs/dbraw/zinc/95/47/32/617954732.db2.gz VMOXRDSUDTUVKC-SWLSCSKDSA-N 1 2 297.399 1.498 20 30 CDEDLO CC(C)(C)OC(=O)NC[C@@](C)(O)C[N@H+]1CCC[C@@H](C#N)C1 ZINC000932155029 617954740 /nfs/dbraw/zinc/95/47/40/617954740.db2.gz VMOXRDSUDTUVKC-SWLSCSKDSA-N 1 2 297.399 1.498 20 30 CDEDLO N#Cc1nccc(N2CCC(Nc3cccc[nH+]3)CC2)n1 ZINC000895349804 619593424 /nfs/dbraw/zinc/59/34/24/619593424.db2.gz OFLDDAUNYGVRQZ-UHFFFAOYSA-N 1 2 280.335 1.824 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928643433 620298698 /nfs/dbraw/zinc/29/86/98/620298698.db2.gz CSIBALWVRJDWEI-HIFRSBDPSA-N 1 2 268.401 1.816 20 30 CDEDLO N#Cc1ccccc1-n1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000899712441 622381077 /nfs/dbraw/zinc/38/10/77/622381077.db2.gz OVJZEYSTOAIZPT-UHFFFAOYSA-N 1 2 283.335 1.096 20 30 CDEDLO Cc1[nH]c(/C=C2/CCc3nn(C)cc3C2=O)[nH+]c1C ZINC000901506084 624307612 /nfs/dbraw/zinc/30/76/12/624307612.db2.gz BAULJYAHUOGNRL-POHAHGRESA-N 1 2 256.309 1.973 20 30 CDEDLO COc1cn(C[N@@H+]2CCC[C@@](C)(C#N)C2)c(C)cc1=O ZINC000902217286 624568486 /nfs/dbraw/zinc/56/84/86/624568486.db2.gz JKCJORSJDBSJDE-HNNXBMFYSA-N 1 2 275.352 1.749 20 30 CDEDLO COc1cn(C[N@H+]2CCC[C@@](C)(C#N)C2)c(C)cc1=O ZINC000902217286 624568491 /nfs/dbraw/zinc/56/84/91/624568491.db2.gz JKCJORSJDBSJDE-HNNXBMFYSA-N 1 2 275.352 1.749 20 30 CDEDLO CC(C)(CCC#N)CNC(=O)CNc1cccc[nH+]1 ZINC000908215010 628078375 /nfs/dbraw/zinc/07/83/75/628078375.db2.gz UIWPCUSMIWPWHJ-UHFFFAOYSA-N 1 2 260.341 1.940 20 30 CDEDLO C[NH+]1CCN(N=Cc2ccc(N3CCOCC3)s2)CC1 ZINC000916248327 631949370 /nfs/dbraw/zinc/94/93/70/631949370.db2.gz AEAIZMOCIDCAJA-UHFFFAOYSA-N 1 2 294.424 1.166 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@H](C#N)C1 ZINC000916619245 632039436 /nfs/dbraw/zinc/03/94/36/632039436.db2.gz KTHKBXVQCJTPGY-CYBMUJFWSA-N 1 2 294.399 1.042 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@H](C#N)C1 ZINC000916619245 632039441 /nfs/dbraw/zinc/03/94/41/632039441.db2.gz KTHKBXVQCJTPGY-CYBMUJFWSA-N 1 2 294.399 1.042 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2scnc2C(F)F)C1 ZINC000923598820 632152886 /nfs/dbraw/zinc/15/28/86/632152886.db2.gz OHDROVQJSJFLDA-SECBINFHSA-N 1 2 299.346 1.908 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2scnc2C(F)F)C1 ZINC000923598820 632152889 /nfs/dbraw/zinc/15/28/89/632152889.db2.gz OHDROVQJSJFLDA-SECBINFHSA-N 1 2 299.346 1.908 20 30 CDEDLO N#C[C@H]1CCCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000921626336 633106037 /nfs/dbraw/zinc/10/60/37/633106037.db2.gz AGAJQGDFJYXKHG-KGLIPLIRSA-N 1 2 299.378 1.605 20 30 CDEDLO C=CCC[C@@H](O)C[NH2+]C1(C(=O)OCC)CCCC1 ZINC000128959313 1158901853 /nfs/dbraw/zinc/90/18/53/1158901853.db2.gz BRIYOGNARQBOEK-GFCCVEGCSA-N 1 2 255.358 1.779 20 30 CDEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCCCC)CC1 ZINC001131325576 1162862850 /nfs/dbraw/zinc/86/28/50/1162862850.db2.gz LPRBZDFRNJWGRQ-UHFFFAOYSA-N 1 2 295.427 1.403 20 30 CDEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCCCC)CC1 ZINC001131325576 1162862860 /nfs/dbraw/zinc/86/28/60/1162862860.db2.gz LPRBZDFRNJWGRQ-UHFFFAOYSA-N 1 2 295.427 1.403 20 30 CDEDLO C#Cc1cncc(C(=O)NC2C[NH+](CC=C(C)C)C2)c1 ZINC001030928571 1161098069 /nfs/dbraw/zinc/09/80/69/1161098069.db2.gz ZEAQUQLCGQHMTA-UHFFFAOYSA-N 1 2 269.348 1.443 20 30 CDEDLO Cc1nc(NC2(CNC(=O)[C@@H](C)C#N)CC2)cc[nH+]1 ZINC001110087984 1162078172 /nfs/dbraw/zinc/07/81/72/1162078172.db2.gz NIAYEBRYACZNQW-VIFPVBQESA-N 1 2 259.313 1.005 20 30 CDEDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)Nc1ncccc1C#N ZINC001113154996 1162115655 /nfs/dbraw/zinc/11/56/55/1162115655.db2.gz LGIGOCBZYFGQQY-MNOVXSKESA-N 1 2 298.350 1.224 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nncs1 ZINC001132574085 1163381505 /nfs/dbraw/zinc/38/15/05/1163381505.db2.gz UZCJEGLDNGHPIP-VHSXEESVSA-N 1 2 268.386 1.202 20 30 CDEDLO C=CC[N@@H+](Cc1ccccc1)CN1CC2(COC2)CC1=O ZINC000872561219 1165447893 /nfs/dbraw/zinc/44/78/93/1165447893.db2.gz CZLFNFWGAMKVOR-UHFFFAOYSA-N 1 2 286.375 1.881 20 30 CDEDLO C=CC[N@H+](Cc1ccccc1)CN1CC2(COC2)CC1=O ZINC000872561219 1165447900 /nfs/dbraw/zinc/44/79/00/1165447900.db2.gz CZLFNFWGAMKVOR-UHFFFAOYSA-N 1 2 286.375 1.881 20 30 CDEDLO Cn1cc(C[NH+]2CCN(c3cccc(CC#N)n3)CC2)cn1 ZINC001645686725 1167465829 /nfs/dbraw/zinc/46/58/29/1167465829.db2.gz KTVXSGOBRMGEAH-UHFFFAOYSA-N 1 2 296.378 1.203 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH2+]CC(=O)NCCc1ccccc1 ZINC001650154257 1169758211 /nfs/dbraw/zinc/75/82/11/1169758211.db2.gz LGUAGCQFEWFFJK-HNNXBMFYSA-N 1 2 284.363 1.378 20 30 CDEDLO C=C(C)CCC(=O)N(C)CC(C)(C)C[NH2+]Cc1c[nH]nn1 ZINC001575038314 1171092593 /nfs/dbraw/zinc/09/25/93/1171092593.db2.gz BFNMXIRBQLAYFC-UHFFFAOYSA-N 1 2 293.415 1.735 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)Nc1c(C#N)cccc1-c1nn[nH]n1 ZINC001589903863 1173200955 /nfs/dbraw/zinc/20/09/55/1173200955.db2.gz KAUVTGQACXAZEI-JTQLQIEISA-N 1 2 294.322 1.435 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001713080885 1178349490 /nfs/dbraw/zinc/34/94/90/1178349490.db2.gz FMQFURJAIHVGAU-JQWIXIFHSA-N 1 2 292.770 1.585 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001713080885 1178349497 /nfs/dbraw/zinc/34/94/97/1178349497.db2.gz FMQFURJAIHVGAU-JQWIXIFHSA-N 1 2 292.770 1.585 20 30 CDEDLO CC(C)(C)C#CC(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC001732091458 1182759651 /nfs/dbraw/zinc/75/96/51/1182759651.db2.gz YJVRZKSLMXBHRX-LBPRGKRZSA-N 1 2 254.349 1.586 20 30 CDEDLO CC(C)(C)C#CC(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC001732091458 1182759657 /nfs/dbraw/zinc/75/96/57/1182759657.db2.gz YJVRZKSLMXBHRX-LBPRGKRZSA-N 1 2 254.349 1.586 20 30 CDEDLO CC(C)C#CC(=O)NC1C[NH+](Cc2ccccc2N(C)C)C1 ZINC001753376387 1184520310 /nfs/dbraw/zinc/52/03/10/1184520310.db2.gz OZWQUJKVCLAACX-UHFFFAOYSA-N 1 2 299.418 1.712 20 30 CDEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=C)Cl ZINC001753102666 1185061237 /nfs/dbraw/zinc/06/12/37/1185061237.db2.gz MMRSEJVFWZUBDO-OLZOCXBDSA-N 1 2 284.787 1.358 20 30 CDEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC(=C)Cl ZINC001753102666 1185061240 /nfs/dbraw/zinc/06/12/40/1185061240.db2.gz MMRSEJVFWZUBDO-OLZOCXBDSA-N 1 2 284.787 1.358 20 30 CDEDLO C=C(C)CCC(=O)N(C)CC[NH2+]Cc1nnc(C)o1 ZINC001753193452 1185112382 /nfs/dbraw/zinc/11/23/82/1185112382.db2.gz VUEZTGAVJSSRFI-UHFFFAOYSA-N 1 2 266.345 1.282 20 30 CDEDLO C#CC[NH2+]CC[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001754915099 1185763040 /nfs/dbraw/zinc/76/30/40/1185763040.db2.gz CKLNKEOIOIYVRK-UWVGGRQHSA-N 1 2 280.265 1.348 20 30 CDEDLO C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001754915099 1185763045 /nfs/dbraw/zinc/76/30/45/1185763045.db2.gz CKLNKEOIOIYVRK-UWVGGRQHSA-N 1 2 280.265 1.348 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@@H](C)[NH2+]Cc1nc(CC)no1 ZINC001755588841 1186003878 /nfs/dbraw/zinc/00/38/78/1186003878.db2.gz HOJNQPIQRDGKKY-GFCCVEGCSA-N 1 2 294.399 1.925 20 30 CDEDLO CC(C)C#CC(=O)N1C[C@@H]([NH2+]Cc2csnn2)C[C@@H]1C ZINC001755678813 1186034970 /nfs/dbraw/zinc/03/49/70/1186034970.db2.gz OWJZOMMJLNIATJ-RYUDHWBXSA-N 1 2 292.408 1.277 20 30 CDEDLO COc1ccc(NC(=O)N2CCn3c[nH+]cc3C2)cc1C#N ZINC001771867181 1186915316 /nfs/dbraw/zinc/91/53/16/1186915316.db2.gz XNNBLJKDMZTCFW-UHFFFAOYSA-N 1 2 297.318 1.811 20 30 CDEDLO C=C(Br)CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000787211951 735161088 /nfs/dbraw/zinc/16/10/88/735161088.db2.gz VLXQRESFNDEEOS-JTQLQIEISA-N 1 2 273.174 1.638 20 30 CDEDLO C=C(Br)CNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000787211951 735161090 /nfs/dbraw/zinc/16/10/90/735161090.db2.gz VLXQRESFNDEEOS-JTQLQIEISA-N 1 2 273.174 1.638 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(C)n[nH]2)C1 ZINC001032933837 735174735 /nfs/dbraw/zinc/17/47/35/735174735.db2.gz BLTSCPVGANGPGL-NSHDSACASA-N 1 2 282.775 1.617 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)n[nH]2)C1 ZINC001032933837 735174736 /nfs/dbraw/zinc/17/47/36/735174736.db2.gz BLTSCPVGANGPGL-NSHDSACASA-N 1 2 282.775 1.617 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC001038639137 735178515 /nfs/dbraw/zinc/17/85/15/735178515.db2.gz AQBDUTYNEGZXBV-ZDUSSCGKSA-N 1 2 260.312 1.571 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC001038639137 735178516 /nfs/dbraw/zinc/17/85/16/735178516.db2.gz AQBDUTYNEGZXBV-ZDUSSCGKSA-N 1 2 260.312 1.571 20 30 CDEDLO C=CCN1CC[C@H](OC(=O)C[C@@H](C)n2cc[nH+]c2)C1=O ZINC000845283716 735334308 /nfs/dbraw/zinc/33/43/08/735334308.db2.gz GOQBAEBVDIRNKX-NEPJUHHUSA-N 1 2 277.324 1.164 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccoc1C(F)(F)F ZINC001038294860 735365565 /nfs/dbraw/zinc/36/55/65/735365565.db2.gz HJNUMCDTYCJREU-VIFPVBQESA-N 1 2 286.253 1.736 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccoc1C(F)(F)F ZINC001038294860 735365571 /nfs/dbraw/zinc/36/55/71/735365571.db2.gz HJNUMCDTYCJREU-VIFPVBQESA-N 1 2 286.253 1.736 20 30 CDEDLO C=CC[N@@H+](C)CN1Cc2cc(F)c(F)cc2C1=O ZINC000853507101 735379018 /nfs/dbraw/zinc/37/90/18/735379018.db2.gz LDITUEDVNYMPCT-UHFFFAOYSA-N 1 2 252.264 1.996 20 30 CDEDLO C=CC[N@H+](C)CN1Cc2cc(F)c(F)cc2C1=O ZINC000853507101 735379025 /nfs/dbraw/zinc/37/90/25/735379025.db2.gz LDITUEDVNYMPCT-UHFFFAOYSA-N 1 2 252.264 1.996 20 30 CDEDLO Cc1cc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@@H](C)C#N)no1 ZINC000960493490 735390899 /nfs/dbraw/zinc/39/08/99/735390899.db2.gz KSOCBPWNOGBIPG-FZMZJTMJSA-N 1 2 290.367 1.566 20 30 CDEDLO Cc1cc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@@H](C)C#N)no1 ZINC000960493490 735390903 /nfs/dbraw/zinc/39/09/03/735390903.db2.gz KSOCBPWNOGBIPG-FZMZJTMJSA-N 1 2 290.367 1.566 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1C2CC3CC(C2)CC1C3 ZINC001032447793 735404954 /nfs/dbraw/zinc/40/49/54/735404954.db2.gz ZSZXWOPBYRYAOI-NNBWVPJWSA-N 1 2 298.430 1.977 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1C2CC3CC(C2)CC1C3 ZINC001032447793 735404961 /nfs/dbraw/zinc/40/49/61/735404961.db2.gz ZSZXWOPBYRYAOI-NNBWVPJWSA-N 1 2 298.430 1.977 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnccn2)[C@H]1C ZINC000992978711 735415007 /nfs/dbraw/zinc/41/50/07/735415007.db2.gz CQBBGDFKNNVFGA-VXGBXAGGSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnccn2)[C@H]1C ZINC000992978711 735415011 /nfs/dbraw/zinc/41/50/11/735415011.db2.gz CQBBGDFKNNVFGA-VXGBXAGGSA-N 1 2 294.786 1.812 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COc2ccccc21 ZINC001018339602 735432750 /nfs/dbraw/zinc/43/27/50/735432750.db2.gz VTEZHWYNYXTCQB-IJEWVQPXSA-N 1 2 296.370 1.471 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COc2ccccc21 ZINC001018339602 735432753 /nfs/dbraw/zinc/43/27/53/735432753.db2.gz VTEZHWYNYXTCQB-IJEWVQPXSA-N 1 2 296.370 1.471 20 30 CDEDLO C[C@@H](CC(=O)NCCNc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC000845181138 735442370 /nfs/dbraw/zinc/44/23/70/735442370.db2.gz POASWQOWWOFFEP-LBPRGKRZSA-N 1 2 298.350 1.329 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn2ccccc12 ZINC001038819622 735481721 /nfs/dbraw/zinc/48/17/21/735481721.db2.gz GSPKHWKHDUGBCH-ZDUSSCGKSA-N 1 2 282.347 1.162 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn2ccccc12 ZINC001038819622 735481722 /nfs/dbraw/zinc/48/17/22/735481722.db2.gz GSPKHWKHDUGBCH-ZDUSSCGKSA-N 1 2 282.347 1.162 20 30 CDEDLO Cn1c(CC#N)nn(C[N@@H+]2CCC[C@H]2C2CC2)c1=S ZINC000794625178 735550855 /nfs/dbraw/zinc/55/08/55/735550855.db2.gz BCRJNAQPRHMDFC-NSHDSACASA-N 1 2 277.397 1.849 20 30 CDEDLO Cn1c(CC#N)nn(C[N@H+]2CCC[C@H]2C2CC2)c1=S ZINC000794625178 735550865 /nfs/dbraw/zinc/55/08/65/735550865.db2.gz BCRJNAQPRHMDFC-NSHDSACASA-N 1 2 277.397 1.849 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn(C)c2C(F)F)C1 ZINC001044170288 735539878 /nfs/dbraw/zinc/53/98/78/735539878.db2.gz LLGFCRJCNHLLGD-UHFFFAOYSA-N 1 2 298.337 1.690 20 30 CDEDLO C=CC[N@H+]1CCCC[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001034381149 735752942 /nfs/dbraw/zinc/75/29/42/735752942.db2.gz LYODMQVKSRNHCE-JTQLQIEISA-N 1 2 266.320 1.319 20 30 CDEDLO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001034381149 735752951 /nfs/dbraw/zinc/75/29/51/735752951.db2.gz LYODMQVKSRNHCE-JTQLQIEISA-N 1 2 266.320 1.319 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)c1ccccc1 ZINC001032742945 735755455 /nfs/dbraw/zinc/75/54/55/735755455.db2.gz XBTSBHSNCTVUEQ-HRCADAONSA-N 1 2 284.359 1.292 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)c1ccccc1 ZINC001032742945 735755468 /nfs/dbraw/zinc/75/54/68/735755468.db2.gz XBTSBHSNCTVUEQ-HRCADAONSA-N 1 2 284.359 1.292 20 30 CDEDLO C#CC[N@H+]1CC=C(CNC(=O)c2[nH]nc3c2CCCC3)CC1 ZINC001000895245 735773433 /nfs/dbraw/zinc/77/34/33/735773433.db2.gz SYSQLFRRGXZSTO-UHFFFAOYSA-N 1 2 298.390 1.284 20 30 CDEDLO C#CC[N@@H+]1CC=C(CNC(=O)c2[nH]nc3c2CCCC3)CC1 ZINC001000895245 735773437 /nfs/dbraw/zinc/77/34/37/735773437.db2.gz SYSQLFRRGXZSTO-UHFFFAOYSA-N 1 2 298.390 1.284 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001035475773 735798542 /nfs/dbraw/zinc/79/85/42/735798542.db2.gz SLDUBGLQCVWLGO-KGLIPLIRSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001035475773 735798546 /nfs/dbraw/zinc/79/85/46/735798546.db2.gz SLDUBGLQCVWLGO-KGLIPLIRSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C(CC)CC)CC1 ZINC001070938153 735857163 /nfs/dbraw/zinc/85/71/63/735857163.db2.gz GBUVVCMEECCDIZ-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C(CC)CC)CC1 ZINC001070938153 735857166 /nfs/dbraw/zinc/85/71/66/735857166.db2.gz GBUVVCMEECCDIZ-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO CC(C)(C)C#CC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000840522679 735804390 /nfs/dbraw/zinc/80/43/90/735804390.db2.gz MBLWBZFJIMARNM-UHFFFAOYSA-N 1 2 266.385 1.263 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2ccc3c(c2)COC3)C1 ZINC001031305026 735810434 /nfs/dbraw/zinc/81/04/34/735810434.db2.gz ZMIJSCPOIASJDS-UHFFFAOYSA-N 1 2 272.348 1.246 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)cccc1F ZINC001039087525 735864401 /nfs/dbraw/zinc/86/44/01/735864401.db2.gz HXSBFUWKTINFHG-CYBMUJFWSA-N 1 2 274.339 1.962 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)cccc1F ZINC001039087525 735864403 /nfs/dbraw/zinc/86/44/03/735864403.db2.gz HXSBFUWKTINFHG-CYBMUJFWSA-N 1 2 274.339 1.962 20 30 CDEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)cs2)C1 ZINC001047374838 735893090 /nfs/dbraw/zinc/89/30/90/735893090.db2.gz SGTBLTXYIIDIPZ-STQMWFEESA-N 1 2 292.404 1.197 20 30 CDEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)cs2)C1 ZINC001047374838 735893092 /nfs/dbraw/zinc/89/30/92/735893092.db2.gz SGTBLTXYIIDIPZ-STQMWFEESA-N 1 2 292.404 1.197 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[NH2+]Cc1cnsn1 ZINC001045149837 735962319 /nfs/dbraw/zinc/96/23/19/735962319.db2.gz VDUWLHLWZBSSNO-LBPRGKRZSA-N 1 2 294.424 1.831 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C)co1)O2 ZINC001053647177 735930226 /nfs/dbraw/zinc/93/02/26/735930226.db2.gz OHVAHVFWBWPUMH-ZDUSSCGKSA-N 1 2 290.363 1.737 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001035382897 736028819 /nfs/dbraw/zinc/02/88/19/736028819.db2.gz SELSQMNSFJAAIA-QKPAOTATSA-N 1 2 290.407 1.592 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001035382897 736028826 /nfs/dbraw/zinc/02/88/26/736028826.db2.gz SELSQMNSFJAAIA-QKPAOTATSA-N 1 2 290.407 1.592 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc3cnccc3c2)C1 ZINC001043356446 736037717 /nfs/dbraw/zinc/03/77/17/736037717.db2.gz AJMFUUQBEVGQQF-UHFFFAOYSA-N 1 2 294.358 1.409 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC001031196962 736089992 /nfs/dbraw/zinc/08/99/92/736089992.db2.gz MQEXXKJLBXWHLS-UHFFFAOYSA-N 1 2 297.362 1.462 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3CCCN(CC#N)CC3)ccn12 ZINC000981161875 736114974 /nfs/dbraw/zinc/11/49/74/736114974.db2.gz GBUNUMHMMKPFNV-UHFFFAOYSA-N 1 2 297.362 1.314 20 30 CDEDLO N#CC[C@@H](O)C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000809573320 736124180 /nfs/dbraw/zinc/12/41/80/736124180.db2.gz HXZACXVXAXPIMI-GFCCVEGCSA-N 1 2 280.759 1.132 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C#Cc1cccs1 ZINC000874712165 736169323 /nfs/dbraw/zinc/16/93/23/736169323.db2.gz UYDLHIRYISOGLJ-CYBMUJFWSA-N 1 2 292.404 1.327 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C#Cc1cccs1 ZINC000874712165 736169340 /nfs/dbraw/zinc/16/93/40/736169340.db2.gz UYDLHIRYISOGLJ-CYBMUJFWSA-N 1 2 292.404 1.327 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cn(C(C)C)cn2)C1 ZINC001043464042 736177319 /nfs/dbraw/zinc/17/73/19/736177319.db2.gz MDBRNCNHCRXVIT-UHFFFAOYSA-N 1 2 274.368 1.244 20 30 CDEDLO C[C@@H]1C[C@@H](C)CN(C(=O)CO[NH+]=C(N)c2ccccc2)C1 ZINC000072807245 736207296 /nfs/dbraw/zinc/20/72/96/736207296.db2.gz MZZPJBVLRYWTOK-CHWSQXEVSA-N 1 2 289.379 1.828 20 30 CDEDLO Cc1nc(N[C@H]2CCN(C(=O)C#CC3CC3)C[C@@H]2C)cc[nH+]1 ZINC001063733894 736249966 /nfs/dbraw/zinc/24/99/66/736249966.db2.gz DRXDTJTXZNLHHV-WFASDCNBSA-N 1 2 298.390 1.847 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNc2nc3ccccc3cc2C#N)C1 ZINC000091670693 736312169 /nfs/dbraw/zinc/31/21/69/736312169.db2.gz ZTWQJJVUZDUJPA-AWEZNQCLSA-N 1 2 282.347 1.849 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNc2nc3ccccc3cc2C#N)C1 ZINC000091670693 736312171 /nfs/dbraw/zinc/31/21/71/736312171.db2.gz ZTWQJJVUZDUJPA-AWEZNQCLSA-N 1 2 282.347 1.849 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCOC[C@H]1CC)C(C)C ZINC000875594002 736330481 /nfs/dbraw/zinc/33/04/81/736330481.db2.gz LITKPISWYBDNIJ-KGLIPLIRSA-N 1 2 281.400 1.054 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1CC)C(C)C ZINC000875594002 736330486 /nfs/dbraw/zinc/33/04/86/736330486.db2.gz LITKPISWYBDNIJ-KGLIPLIRSA-N 1 2 281.400 1.054 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)N(C)CC2 ZINC001038974454 733200386 /nfs/dbraw/zinc/20/03/86/733200386.db2.gz YVKYEQYLQXAYCK-HNNXBMFYSA-N 1 2 283.375 1.116 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)N(C)CC2 ZINC001038974454 733200394 /nfs/dbraw/zinc/20/03/94/733200394.db2.gz YVKYEQYLQXAYCK-HNNXBMFYSA-N 1 2 283.375 1.116 20 30 CDEDLO C#CC[C@H](NC(=O)NCc1c[nH+]cn1C)c1ccccc1 ZINC000292543082 733206979 /nfs/dbraw/zinc/20/69/79/733206979.db2.gz QFVJGEORBZJBBT-HNNXBMFYSA-N 1 2 282.347 1.984 20 30 CDEDLO C=CC[N@H+](CN1C(=O)CC12CCC2)[C@H](C)COC ZINC000853534627 733210291 /nfs/dbraw/zinc/21/02/91/733210291.db2.gz LAFIQVWUVTUHCD-GFCCVEGCSA-N 1 2 252.358 1.622 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)CC12CCC2)[C@H](C)COC ZINC000853534627 733210293 /nfs/dbraw/zinc/21/02/93/733210293.db2.gz LAFIQVWUVTUHCD-GFCCVEGCSA-N 1 2 252.358 1.622 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(-c2ncon2)c1 ZINC001038694953 733260620 /nfs/dbraw/zinc/26/06/20/733260620.db2.gz XSEOCGBVTSZIHC-AWEZNQCLSA-N 1 2 296.330 1.174 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(-c2ncon2)c1 ZINC001038694953 733260637 /nfs/dbraw/zinc/26/06/37/733260637.db2.gz XSEOCGBVTSZIHC-AWEZNQCLSA-N 1 2 296.330 1.174 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(Cl)o2)C1 ZINC001042481794 733268464 /nfs/dbraw/zinc/26/84/64/733268464.db2.gz UOOJUEBNGRMCRT-UHFFFAOYSA-N 1 2 266.728 1.713 20 30 CDEDLO N#Cc1ccc(CNc2cc(NC3CC3)[nH+]cn2)nc1 ZINC000840290386 733310425 /nfs/dbraw/zinc/31/04/25/733310425.db2.gz FAYMRFQIAMVXRQ-UHFFFAOYSA-N 1 2 266.308 1.930 20 30 CDEDLO N#Cc1ccc(CNc2cc(NC3CC3)nc[nH+]2)nc1 ZINC000840290386 733310434 /nfs/dbraw/zinc/31/04/34/733310434.db2.gz FAYMRFQIAMVXRQ-UHFFFAOYSA-N 1 2 266.308 1.930 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C)ccc2OC)C1 ZINC001043249272 733312707 /nfs/dbraw/zinc/31/27/07/733312707.db2.gz IQJHIMMLCJPQTO-UHFFFAOYSA-N 1 2 286.375 1.783 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cnon1 ZINC001049801723 733327572 /nfs/dbraw/zinc/32/75/72/733327572.db2.gz JEHHAXBKVITMCH-VXGBXAGGSA-N 1 2 296.758 1.501 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cnon1 ZINC001049801723 733327580 /nfs/dbraw/zinc/32/75/80/733327580.db2.gz JEHHAXBKVITMCH-VXGBXAGGSA-N 1 2 296.758 1.501 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC3(C)CC3)C[C@H]21 ZINC001074300074 733332234 /nfs/dbraw/zinc/33/22/34/733332234.db2.gz ORMUICNDOHYBQE-HUUCEWRRSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC3(C)CC3)C[C@H]21 ZINC001074300074 733332241 /nfs/dbraw/zinc/33/22/41/733332241.db2.gz ORMUICNDOHYBQE-HUUCEWRRSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(OC)cc2F)C1 ZINC001030623525 733362637 /nfs/dbraw/zinc/36/26/37/733362637.db2.gz XYKDSZCMNPNYHK-UHFFFAOYSA-N 1 2 276.311 1.272 20 30 CDEDLO C=C(C)[C@H](CC(=O)OCC[N@@H+]1CCO[C@@H](C)C1)OCC ZINC000800189109 733385599 /nfs/dbraw/zinc/38/55/99/733385599.db2.gz FRNSYHMGPBETNO-KBPBESRZSA-N 1 2 285.384 1.622 20 30 CDEDLO C=C(C)[C@H](CC(=O)OCC[N@H+]1CCO[C@@H](C)C1)OCC ZINC000800189109 733385602 /nfs/dbraw/zinc/38/56/02/733385602.db2.gz FRNSYHMGPBETNO-KBPBESRZSA-N 1 2 285.384 1.622 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2n1[C@H](C)CCC2 ZINC001038280365 733407931 /nfs/dbraw/zinc/40/79/31/733407931.db2.gz LPBRKRDAXMASIH-OLZOCXBDSA-N 1 2 286.379 1.218 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2n1[C@H](C)CCC2 ZINC001038280365 733407935 /nfs/dbraw/zinc/40/79/35/733407935.db2.gz LPBRKRDAXMASIH-OLZOCXBDSA-N 1 2 286.379 1.218 20 30 CDEDLO CN(Cc1cc(C#N)cs1)C(=O)CCc1c[nH]c[nH+]1 ZINC000887968178 733430815 /nfs/dbraw/zinc/43/08/15/733430815.db2.gz ADVVGLGQDFLSLF-UHFFFAOYSA-N 1 2 274.349 1.934 20 30 CDEDLO CN(Cc1cc(C#N)cs1)C(=O)CCc1c[nH+]c[nH]1 ZINC000887968178 733430817 /nfs/dbraw/zinc/43/08/17/733430817.db2.gz ADVVGLGQDFLSLF-UHFFFAOYSA-N 1 2 274.349 1.934 20 30 CDEDLO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001041303007 733439511 /nfs/dbraw/zinc/43/95/11/733439511.db2.gz BIRAHCUEZPUIMM-CMPLNLGQSA-N 1 2 294.292 1.997 20 30 CDEDLO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001041303007 733439521 /nfs/dbraw/zinc/43/95/21/733439521.db2.gz BIRAHCUEZPUIMM-CMPLNLGQSA-N 1 2 294.292 1.997 20 30 CDEDLO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001041303007 733439524 /nfs/dbraw/zinc/43/95/24/733439524.db2.gz BIRAHCUEZPUIMM-CMPLNLGQSA-N 1 2 294.292 1.997 20 30 CDEDLO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001041303007 733439527 /nfs/dbraw/zinc/43/95/27/733439527.db2.gz BIRAHCUEZPUIMM-CMPLNLGQSA-N 1 2 294.292 1.997 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ncoc2C)C1 ZINC001046176182 733514579 /nfs/dbraw/zinc/51/45/79/733514579.db2.gz XKYDQNLYVWJPQB-ZDUSSCGKSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ncoc2C)C1 ZINC001046176182 733514582 /nfs/dbraw/zinc/51/45/82/733514582.db2.gz XKYDQNLYVWJPQB-ZDUSSCGKSA-N 1 2 283.759 1.930 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1nccs1)C2 ZINC001072552644 733518226 /nfs/dbraw/zinc/51/82/26/733518226.db2.gz RCSDTMMAHNQUNW-NSHDSACASA-N 1 2 290.392 1.337 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1nccs1)C2 ZINC001072552644 733518227 /nfs/dbraw/zinc/51/82/27/733518227.db2.gz RCSDTMMAHNQUNW-NSHDSACASA-N 1 2 290.392 1.337 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000929339617 733534301 /nfs/dbraw/zinc/53/43/01/733534301.db2.gz DBRRPGMJFHJFGS-CYBMUJFWSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccc(F)cc2)C1 ZINC001044250053 733567960 /nfs/dbraw/zinc/56/79/60/733567960.db2.gz WDCAIRZXGDGOHX-UHFFFAOYSA-N 1 2 262.328 1.697 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3c2CCOC3)C1 ZINC001030663684 733582522 /nfs/dbraw/zinc/58/25/22/733582522.db2.gz CVOPXOBWHNPZAH-UHFFFAOYSA-N 1 2 284.359 1.197 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](N(CC)C(=O)c2cc(CC)[nH]n2)C1 ZINC001033752047 733589511 /nfs/dbraw/zinc/58/95/11/733589511.db2.gz AGKJQFUWJXCEJR-AWEZNQCLSA-N 1 2 288.395 1.532 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(CC)[nH]n2)C1 ZINC001033752047 733589519 /nfs/dbraw/zinc/58/95/19/733589519.db2.gz AGKJQFUWJXCEJR-AWEZNQCLSA-N 1 2 288.395 1.532 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1csc(Cl)c1 ZINC001038778189 733600158 /nfs/dbraw/zinc/60/01/58/733600158.db2.gz WGPVMYDXPTZPJQ-JTQLQIEISA-N 1 2 268.769 1.839 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1csc(Cl)c1 ZINC001038778189 733600164 /nfs/dbraw/zinc/60/01/64/733600164.db2.gz WGPVMYDXPTZPJQ-JTQLQIEISA-N 1 2 268.769 1.839 20 30 CDEDLO C=C(C)C[N@H+](C)CN1C[C@H](NC(=O)OC(C)(C)C)CC1=O ZINC000782940310 733604297 /nfs/dbraw/zinc/60/42/97/733604297.db2.gz JDFRTHOGTQMAOC-GFCCVEGCSA-N 1 2 297.399 1.577 20 30 CDEDLO C=C(C)C[N@@H+](C)CN1C[C@H](NC(=O)OC(C)(C)C)CC1=O ZINC000782940310 733604304 /nfs/dbraw/zinc/60/43/04/733604304.db2.gz JDFRTHOGTQMAOC-GFCCVEGCSA-N 1 2 297.399 1.577 20 30 CDEDLO C#CCn1ccc(CN(CCOC)c2cc[nH+]cc2F)n1 ZINC000882278518 733606254 /nfs/dbraw/zinc/60/62/54/733606254.db2.gz PUGGXVLKXDYGDB-UHFFFAOYSA-N 1 2 288.326 1.703 20 30 CDEDLO Cc1nc(C#N)cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000882130258 733613392 /nfs/dbraw/zinc/61/33/92/733613392.db2.gz RZMSUHFFUKYCNB-GFCCVEGCSA-N 1 2 280.335 1.743 20 30 CDEDLO C#C[C@@](C)(CC)[NH2+]Cc1csc(CS(C)(=O)=O)n1 ZINC000852103129 733636797 /nfs/dbraw/zinc/63/67/97/733636797.db2.gz YCRBOYAJEIMRBK-LBPRGKRZSA-N 1 2 286.422 1.579 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)C#Cc2ccccc2)[C@@H](C)CO1 ZINC000855411130 733659068 /nfs/dbraw/zinc/65/90/68/733659068.db2.gz NUKGODOHZDNHBY-LSDHHAIUSA-N 1 2 286.375 1.264 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)C#Cc2ccccc2)[C@@H](C)CO1 ZINC000855411130 733659069 /nfs/dbraw/zinc/65/90/69/733659069.db2.gz NUKGODOHZDNHBY-LSDHHAIUSA-N 1 2 286.375 1.264 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C(C)C)n(C)n2)C1 ZINC001042705763 733676332 /nfs/dbraw/zinc/67/63/32/733676332.db2.gz MAOXCDBZOFNJEV-UHFFFAOYSA-N 1 2 288.395 1.323 20 30 CDEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@H](C)C1)C(=O)OC ZINC000839168803 733686204 /nfs/dbraw/zinc/68/62/04/733686204.db2.gz MVXYPLSKUNPDKA-MQYQWHSLSA-N 1 2 295.379 1.509 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC000923590428 733699912 /nfs/dbraw/zinc/69/99/12/733699912.db2.gz WKMJXZWVAWQVMA-JTQLQIEISA-N 1 2 266.728 1.760 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC000923590428 733699915 /nfs/dbraw/zinc/69/99/15/733699915.db2.gz WKMJXZWVAWQVMA-JTQLQIEISA-N 1 2 266.728 1.760 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCc3cn[nH]c32)C1 ZINC001042725668 733721121 /nfs/dbraw/zinc/72/11/21/733721121.db2.gz YVNYNJLQQKSJAG-AWEZNQCLSA-N 1 2 288.395 1.548 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cn[nH]n2)C1 ZINC001025470335 733734229 /nfs/dbraw/zinc/73/42/29/733734229.db2.gz WHNOKROZCCTRGA-WDEREUQCSA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cn[nH]n2)C1 ZINC001025470335 733734236 /nfs/dbraw/zinc/73/42/36/733734236.db2.gz WHNOKROZCCTRGA-WDEREUQCSA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cnn[nH]2)C1 ZINC001025470335 733734243 /nfs/dbraw/zinc/73/42/43/733734243.db2.gz WHNOKROZCCTRGA-WDEREUQCSA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cnn[nH]2)C1 ZINC001025470335 733734246 /nfs/dbraw/zinc/73/42/46/733734246.db2.gz WHNOKROZCCTRGA-WDEREUQCSA-N 1 2 297.790 1.388 20 30 CDEDLO C#CC[NH+]1CC(CNC(=O)c2[nH]nc(C3CC3)c2Cl)C1 ZINC001031811288 733779076 /nfs/dbraw/zinc/77/90/76/733779076.db2.gz DTUVUFYCLJAMCB-UHFFFAOYSA-N 1 2 292.770 1.235 20 30 CDEDLO C[C@H](CC(=O)NCCNc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC000845181137 733791614 /nfs/dbraw/zinc/79/16/14/733791614.db2.gz POASWQOWWOFFEP-GFCCVEGCSA-N 1 2 298.350 1.329 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2c3c[nH]nc3CC[C@H]2C)C1 ZINC001043387018 733835764 /nfs/dbraw/zinc/83/57/64/733835764.db2.gz UTQZMGPUIBWTMH-IAQYHMDHSA-N 1 2 288.395 1.404 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1N(C)C ZINC001032814479 733836648 /nfs/dbraw/zinc/83/66/48/733836648.db2.gz OKJXHRKOWIYRPQ-KBPBESRZSA-N 1 2 283.375 1.285 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1N(C)C ZINC001032814479 733836652 /nfs/dbraw/zinc/83/66/52/733836652.db2.gz OKJXHRKOWIYRPQ-KBPBESRZSA-N 1 2 283.375 1.285 20 30 CDEDLO C#CC[C@H]([NH2+][C@H]1CCc2cccnc2CC1)C(=O)OC ZINC000877582809 733859522 /nfs/dbraw/zinc/85/95/22/733859522.db2.gz HVEUVFTWJNJEIM-ZFWWWQNUSA-N 1 2 272.348 1.484 20 30 CDEDLO C#CC[C@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000887611706 733868386 /nfs/dbraw/zinc/86/83/86/733868386.db2.gz NZXYSYNCQSRTNG-AWEZNQCLSA-N 1 2 293.411 1.152 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3c(c2)CCOC3)C1 ZINC001030663812 733882149 /nfs/dbraw/zinc/88/21/49/733882149.db2.gz HJDQLABPXCDRHZ-UHFFFAOYSA-N 1 2 284.359 1.197 20 30 CDEDLO C#CC[C@@H]1CCN(c2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000884594462 733884295 /nfs/dbraw/zinc/88/42/95/733884295.db2.gz JMCVWLGOYMVKGA-CYBMUJFWSA-N 1 2 288.420 1.879 20 30 CDEDLO C#CC[C@@H]1CCN(c2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000884594462 733884296 /nfs/dbraw/zinc/88/42/96/733884296.db2.gz JMCVWLGOYMVKGA-CYBMUJFWSA-N 1 2 288.420 1.879 20 30 CDEDLO C#CC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC000776609107 733895370 /nfs/dbraw/zinc/89/53/70/733895370.db2.gz JUIODXPSIWVDFW-VXGBXAGGSA-N 1 2 252.358 1.949 20 30 CDEDLO C#CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC000776609107 733895372 /nfs/dbraw/zinc/89/53/72/733895372.db2.gz JUIODXPSIWVDFW-VXGBXAGGSA-N 1 2 252.358 1.949 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnc2ccccn12 ZINC000855734707 733935669 /nfs/dbraw/zinc/93/56/69/733935669.db2.gz GFRSEMISIZCACF-LBPRGKRZSA-N 1 2 268.320 1.370 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnc2ccccn12 ZINC000855734707 733935686 /nfs/dbraw/zinc/93/56/86/733935686.db2.gz GFRSEMISIZCACF-LBPRGKRZSA-N 1 2 268.320 1.370 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccoc2C2CC2)C1 ZINC001043666945 733974013 /nfs/dbraw/zinc/97/40/13/733974013.db2.gz XTUYCSGHHGVPFI-UHFFFAOYSA-N 1 2 272.348 1.937 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(COC)o1 ZINC001038483602 733988103 /nfs/dbraw/zinc/98/81/03/733988103.db2.gz FTDFJJKAMSEQRO-GFCCVEGCSA-N 1 2 276.336 1.253 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(COC)o1 ZINC001038483602 733988108 /nfs/dbraw/zinc/98/81/08/733988108.db2.gz FTDFJJKAMSEQRO-GFCCVEGCSA-N 1 2 276.336 1.253 20 30 CDEDLO CC#CCCCC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000827445512 734014544 /nfs/dbraw/zinc/01/45/44/734014544.db2.gz RYRXINSTNJDVHK-UHFFFAOYSA-N 1 2 291.439 1.418 20 30 CDEDLO C[C@@H]1CC(=O)N(C[N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000113240004 734014979 /nfs/dbraw/zinc/01/49/79/734014979.db2.gz ARTXIHHAZOGJAU-GFCCVEGCSA-N 1 2 257.337 1.816 20 30 CDEDLO C[C@@H]1CC(=O)N(C[N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000113240004 734014980 /nfs/dbraw/zinc/01/49/80/734014980.db2.gz ARTXIHHAZOGJAU-GFCCVEGCSA-N 1 2 257.337 1.816 20 30 CDEDLO C=C1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(N)=O)C2)CC1 ZINC001071796443 734016490 /nfs/dbraw/zinc/01/64/90/734016490.db2.gz RSADHNLUCHECTQ-OCCSQVGLSA-N 1 2 293.411 1.187 20 30 CDEDLO C=C1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(N)=O)C2)CC1 ZINC001071796443 734016495 /nfs/dbraw/zinc/01/64/95/734016495.db2.gz RSADHNLUCHECTQ-OCCSQVGLSA-N 1 2 293.411 1.187 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc3c2COCC3)C1 ZINC001030428061 734017917 /nfs/dbraw/zinc/01/79/17/734017917.db2.gz MMTVQVWFUVGFFG-UHFFFAOYSA-N 1 2 286.375 1.749 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2nc3ccccc3[nH]2)nn1 ZINC000864654102 734028124 /nfs/dbraw/zinc/02/81/24/734028124.db2.gz RYMFBWVASLVJNY-UHFFFAOYSA-N 1 2 280.335 1.316 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cccnn2)CC1 ZINC001001291181 734040286 /nfs/dbraw/zinc/04/02/86/734040286.db2.gz QYYUOYUZAGOILO-UHFFFAOYSA-N 1 2 292.770 1.591 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cccnn2)CC1 ZINC001001291181 734040290 /nfs/dbraw/zinc/04/02/90/734040290.db2.gz QYYUOYUZAGOILO-UHFFFAOYSA-N 1 2 292.770 1.591 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(F)ccc(C)c1F ZINC001038666223 734062356 /nfs/dbraw/zinc/06/23/56/734062356.db2.gz CWTJBIBQSYKSRE-NSHDSACASA-N 1 2 278.302 1.711 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(F)ccc(C)c1F ZINC001038666223 734062357 /nfs/dbraw/zinc/06/23/57/734062357.db2.gz CWTJBIBQSYKSRE-NSHDSACASA-N 1 2 278.302 1.711 20 30 CDEDLO C=C[C@@H](C)ONC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000845635558 734065174 /nfs/dbraw/zinc/06/51/74/734065174.db2.gz ZEHYOMVBQJZHKX-GFCCVEGCSA-N 1 2 275.352 1.808 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000884116140 734067793 /nfs/dbraw/zinc/06/77/93/734067793.db2.gz MXCMNBROJFFDNQ-WOPDTQHZSA-N 1 2 268.357 1.080 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CC[NH2+][C@@H](c2cccc(OC)c2)C1 ZINC000870155058 734069515 /nfs/dbraw/zinc/06/95/15/734069515.db2.gz SDYFPWABYWUDSQ-IUODEOHRSA-N 1 2 287.363 1.718 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)on1 ZINC001032738877 734076833 /nfs/dbraw/zinc/07/68/33/734076833.db2.gz RSAKPCSBBMWSRR-QWRGUYRKSA-N 1 2 261.325 1.322 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)on1 ZINC001032738877 734076834 /nfs/dbraw/zinc/07/68/34/734076834.db2.gz RSAKPCSBBMWSRR-QWRGUYRKSA-N 1 2 261.325 1.322 20 30 CDEDLO C#CC[C@@H]1CC[N@@H+](CC(=O)Nc2nnc(C(C)C)s2)C1 ZINC000886362516 734096300 /nfs/dbraw/zinc/09/63/00/734096300.db2.gz AUEMTYPJCCIDSA-LLVKDONJSA-N 1 2 292.408 1.945 20 30 CDEDLO C#CC[C@@H]1CC[N@H+](CC(=O)Nc2nnc(C(C)C)s2)C1 ZINC000886362516 734096302 /nfs/dbraw/zinc/09/63/02/734096302.db2.gz AUEMTYPJCCIDSA-LLVKDONJSA-N 1 2 292.408 1.945 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cccc(F)c2F)C1 ZINC001035489382 734131044 /nfs/dbraw/zinc/13/10/44/734131044.db2.gz ZOWSDQLOLHQNQQ-LLVKDONJSA-N 1 2 296.317 1.581 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cccc(F)c2F)C1 ZINC001035489382 734131047 /nfs/dbraw/zinc/13/10/47/734131047.db2.gz ZOWSDQLOLHQNQQ-LLVKDONJSA-N 1 2 296.317 1.581 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)ccc1F ZINC001038350879 734153178 /nfs/dbraw/zinc/15/31/78/734153178.db2.gz XRPLRVZFGGBXBO-LBPRGKRZSA-N 1 2 278.302 1.792 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(F)ccc1F ZINC001038350879 734153181 /nfs/dbraw/zinc/15/31/81/734153181.db2.gz XRPLRVZFGGBXBO-LBPRGKRZSA-N 1 2 278.302 1.792 20 30 CDEDLO O=[N+]([O-])c1cccnc1N=NCc1c[nH+]c2n1CCC2 ZINC000853318607 734159568 /nfs/dbraw/zinc/15/95/68/734159568.db2.gz FAEXMPNMVOZNOB-UHFFFAOYSA-N 1 2 272.268 1.579 20 30 CDEDLO CC[N@H+](CCC#N)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593610 734204290 /nfs/dbraw/zinc/20/42/90/734204290.db2.gz YNBWAFNNRGMGEH-ZDUSSCGKSA-N 1 2 263.297 1.864 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593610 734204292 /nfs/dbraw/zinc/20/42/92/734204292.db2.gz YNBWAFNNRGMGEH-ZDUSSCGKSA-N 1 2 263.297 1.864 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2CC2CC2)CC1 ZINC000830856140 734207068 /nfs/dbraw/zinc/20/70/68/734207068.db2.gz KBEDXVFNGQPWNO-UHFFFAOYSA-N 1 2 299.422 1.396 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1CC)CCO2 ZINC001053438733 734210395 /nfs/dbraw/zinc/21/03/95/734210395.db2.gz RTHKNSYVWDHAJE-ZIAGYGMSSA-N 1 2 278.396 1.522 20 30 CDEDLO C#CCCCNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000839488926 734222212 /nfs/dbraw/zinc/22/22/12/734222212.db2.gz GKVYIEROTWYIBV-UHFFFAOYSA-N 1 2 273.336 1.475 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCc3cncn3C2)C1 ZINC001043139919 734229654 /nfs/dbraw/zinc/22/96/54/734229654.db2.gz JHAUSIHYCFRQFA-ZDUSSCGKSA-N 1 2 288.395 1.164 20 30 CDEDLO C#C[C@H]([NH2+][C@H](C)c1nc(C)cc(=O)[nH]1)[C@H]1CCCO1 ZINC000790340673 734230228 /nfs/dbraw/zinc/23/02/28/734230228.db2.gz SQPFMPBLVDMQSF-GRYCIOLGSA-N 1 2 261.325 1.322 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001016295611 734235234 /nfs/dbraw/zinc/23/52/34/734235234.db2.gz UPTZGWQLZJWKRO-NSHDSACASA-N 1 2 263.366 1.197 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001016295611 734235239 /nfs/dbraw/zinc/23/52/39/734235239.db2.gz UPTZGWQLZJWKRO-NSHDSACASA-N 1 2 263.366 1.197 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2ccccc12 ZINC001032688411 734263010 /nfs/dbraw/zinc/26/30/10/734263010.db2.gz AZWFZURIIDEUQE-KBPBESRZSA-N 1 2 294.358 1.256 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2ccccc12 ZINC001032688411 734263015 /nfs/dbraw/zinc/26/30/15/734263015.db2.gz AZWFZURIIDEUQE-KBPBESRZSA-N 1 2 294.358 1.256 20 30 CDEDLO C[N@H+](CC(=O)[C@@H](C#N)c1ccccn1)[C@@H]1CCSC1 ZINC000123579741 734270238 /nfs/dbraw/zinc/27/02/38/734270238.db2.gz FMZMSULWUDTAOK-NEPJUHHUSA-N 1 2 275.377 1.695 20 30 CDEDLO C[N@@H+](CC(=O)[C@@H](C#N)c1ccccn1)[C@@H]1CCSC1 ZINC000123579741 734270241 /nfs/dbraw/zinc/27/02/41/734270241.db2.gz FMZMSULWUDTAOK-NEPJUHHUSA-N 1 2 275.377 1.695 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000874703757 734275713 /nfs/dbraw/zinc/27/57/13/734275713.db2.gz CBLWKICCXCNPMF-HNNXBMFYSA-N 1 2 280.412 1.982 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000874703757 734275715 /nfs/dbraw/zinc/27/57/15/734275715.db2.gz CBLWKICCXCNPMF-HNNXBMFYSA-N 1 2 280.412 1.982 20 30 CDEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](F)CC)C2)CC1 ZINC001052062677 734278143 /nfs/dbraw/zinc/27/81/43/734278143.db2.gz MSRYZBBWUCNUBS-KBPBESRZSA-N 1 2 283.391 1.139 20 30 CDEDLO C#CCSCCNC(=O)CCCn1cc[nH+]c1 ZINC000130012883 734320827 /nfs/dbraw/zinc/32/08/27/734320827.db2.gz HKMBVIPOKYWGOJ-UHFFFAOYSA-N 1 2 251.355 1.146 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C1CC1)C[C@H](C)O2 ZINC001071116292 734292923 /nfs/dbraw/zinc/29/29/23/734292923.db2.gz MDLJOLPNBGMWGW-SWLSCSKDSA-N 1 2 298.814 1.841 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1CC1)C[C@H](C)O2 ZINC001071116292 734292925 /nfs/dbraw/zinc/29/29/25/734292925.db2.gz MDLJOLPNBGMWGW-SWLSCSKDSA-N 1 2 298.814 1.841 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c(C)nn(C)c2C)C1 ZINC001030762531 734305075 /nfs/dbraw/zinc/30/50/75/734305075.db2.gz PYMOJKJRCCNLPO-UHFFFAOYSA-N 1 2 262.357 1.027 20 30 CDEDLO C#CC[N@H+](Cc1cnnn1-c1ccccc1)C1CC1 ZINC000808747676 734331529 /nfs/dbraw/zinc/33/15/29/734331529.db2.gz UQKZMHYAPHIQAV-UHFFFAOYSA-N 1 2 252.321 1.865 20 30 CDEDLO C#CC[N@@H+](Cc1cnnn1-c1ccccc1)C1CC1 ZINC000808747676 734331530 /nfs/dbraw/zinc/33/15/30/734331530.db2.gz UQKZMHYAPHIQAV-UHFFFAOYSA-N 1 2 252.321 1.865 20 30 CDEDLO C[C@H](C#N)OCCN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000801928877 734333012 /nfs/dbraw/zinc/33/30/12/734333012.db2.gz MHSBDCGCRJSVAW-CQSZACIVSA-N 1 2 291.370 1.872 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000884155356 734345319 /nfs/dbraw/zinc/34/53/19/734345319.db2.gz ZZUOJRLJYBSSAZ-MELADBBJSA-N 1 2 294.395 1.518 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2coc(C)c2)C1 ZINC001035342004 734355416 /nfs/dbraw/zinc/35/54/16/734355416.db2.gz LJVGUFOEESLZQM-CYBMUJFWSA-N 1 2 264.325 1.205 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2coc(C)c2)C1 ZINC001035342004 734355418 /nfs/dbraw/zinc/35/54/18/734355418.db2.gz LJVGUFOEESLZQM-CYBMUJFWSA-N 1 2 264.325 1.205 20 30 CDEDLO C#CCCOc1ccc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)cc1 ZINC000783735108 734360103 /nfs/dbraw/zinc/36/01/03/734360103.db2.gz YWYFTRHPJWXPRN-AWEZNQCLSA-N 1 2 286.375 1.751 20 30 CDEDLO C#CCCOc1ccc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)cc1 ZINC000783735108 734360106 /nfs/dbraw/zinc/36/01/06/734360106.db2.gz YWYFTRHPJWXPRN-AWEZNQCLSA-N 1 2 286.375 1.751 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001038562570 734389786 /nfs/dbraw/zinc/38/97/86/734389786.db2.gz GPSZQBMZXOPKOH-AWEZNQCLSA-N 1 2 281.359 1.914 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001038562570 734389791 /nfs/dbraw/zinc/38/97/91/734389791.db2.gz GPSZQBMZXOPKOH-AWEZNQCLSA-N 1 2 281.359 1.914 20 30 CDEDLO C#C[C@H](CCC)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000820667394 734408116 /nfs/dbraw/zinc/40/81/16/734408116.db2.gz VQMALLUSKZMGJX-HZSPNIEDSA-N 1 2 281.400 1.197 20 30 CDEDLO C#C[C@H](CCC)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000820667394 734408121 /nfs/dbraw/zinc/40/81/21/734408121.db2.gz VQMALLUSKZMGJX-HZSPNIEDSA-N 1 2 281.400 1.197 20 30 CDEDLO N#Cc1ccc(CO[NH+]=C(N)CCO)c(OC(F)F)c1 ZINC000780127482 734426936 /nfs/dbraw/zinc/42/69/36/734426936.db2.gz CVPRECYYAXQSHO-UHFFFAOYSA-N 1 2 285.250 1.541 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC1(C)C)O2 ZINC001053590512 734429025 /nfs/dbraw/zinc/42/90/25/734429025.db2.gz JUMSTWIRONUKBE-QWHCGFSZSA-N 1 2 278.396 1.568 20 30 CDEDLO C#CC1(NC(=O)NCCCn2cc[nH+]c2)CCCC1 ZINC000883035763 734440116 /nfs/dbraw/zinc/44/01/16/734440116.db2.gz OLZRKNWGCBUVIR-UHFFFAOYSA-N 1 2 260.341 1.518 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C(F)F)C1 ZINC001034062856 734443614 /nfs/dbraw/zinc/44/36/14/734443614.db2.gz SCOMPLWZGRUXOG-VIFPVBQESA-N 1 2 266.719 1.975 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C(F)F)C1 ZINC001034062856 734443635 /nfs/dbraw/zinc/44/36/35/734443635.db2.gz SCOMPLWZGRUXOG-VIFPVBQESA-N 1 2 266.719 1.975 20 30 CDEDLO C=C(Br)COC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000805478589 734457096 /nfs/dbraw/zinc/45/70/96/734457096.db2.gz GRTBIMMXEJYZSX-VIFPVBQESA-N 1 2 278.146 1.159 20 30 CDEDLO C=C(Br)COC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000805478589 734457105 /nfs/dbraw/zinc/45/71/05/734457105.db2.gz GRTBIMMXEJYZSX-VIFPVBQESA-N 1 2 278.146 1.159 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001031497986 734458342 /nfs/dbraw/zinc/45/83/42/734458342.db2.gz GOZLPBLEHHOULF-UHFFFAOYSA-N 1 2 274.368 1.210 20 30 CDEDLO C=C1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(N)=O)C2)CC1 ZINC001071796441 734459713 /nfs/dbraw/zinc/45/97/13/734459713.db2.gz RSADHNLUCHECTQ-JSGCOSHPSA-N 1 2 293.411 1.187 20 30 CDEDLO C=C1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(N)=O)C2)CC1 ZINC001071796441 734459719 /nfs/dbraw/zinc/45/97/19/734459719.db2.gz RSADHNLUCHECTQ-JSGCOSHPSA-N 1 2 293.411 1.187 20 30 CDEDLO CO[C@H]1CC[N@H+](Cn2ccc(C)c(C#N)c2=O)C[C@@H]1C ZINC000840122329 734476494 /nfs/dbraw/zinc/47/64/94/734476494.db2.gz HNUWTUHWNKSDNO-JSGCOSHPSA-N 1 2 275.352 1.343 20 30 CDEDLO CO[C@H]1CC[N@@H+](Cn2ccc(C)c(C#N)c2=O)C[C@@H]1C ZINC000840122329 734476495 /nfs/dbraw/zinc/47/64/95/734476495.db2.gz HNUWTUHWNKSDNO-JSGCOSHPSA-N 1 2 275.352 1.343 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccnc2C)C1 ZINC001035488459 734489277 /nfs/dbraw/zinc/48/92/77/734489277.db2.gz JKMIVPBEYWXUDF-CQSZACIVSA-N 1 2 289.379 1.397 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cccnc2C)C1 ZINC001035488459 734489284 /nfs/dbraw/zinc/48/92/84/734489284.db2.gz JKMIVPBEYWXUDF-CQSZACIVSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(C)c(CC)c1 ZINC000884311716 734517357 /nfs/dbraw/zinc/51/73/57/734517357.db2.gz JXDVJSWMZSFSPT-AWEZNQCLSA-N 1 2 290.363 1.943 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C2(SC)CCC2)C1 ZINC000923560778 734519156 /nfs/dbraw/zinc/51/91/56/734519156.db2.gz IBHPSLHXNWYPRQ-GFCCVEGCSA-N 1 2 266.410 1.486 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C2(SC)CCC2)C1 ZINC000923560778 734519158 /nfs/dbraw/zinc/51/91/58/734519158.db2.gz IBHPSLHXNWYPRQ-GFCCVEGCSA-N 1 2 266.410 1.486 20 30 CDEDLO COC(=O)c1ccccc1N[NH+]=Cc1cnc(N)nc1 ZINC000781595510 734532734 /nfs/dbraw/zinc/53/27/34/734532734.db2.gz RCADKRYDDQZEFF-UHFFFAOYSA-N 1 2 271.280 1.291 20 30 CDEDLO C=CC(C)(C)CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000878236340 734566089 /nfs/dbraw/zinc/56/60/89/734566089.db2.gz BOBWKMNGUMQQPA-GFCCVEGCSA-N 1 2 254.374 1.426 20 30 CDEDLO Cn1ncc2c1CC/C(=C\c1ccc(N)[nH+]c1)C2=O ZINC000821039169 734568292 /nfs/dbraw/zinc/56/82/92/734568292.db2.gz PQOXYTIRFVAEGG-UXBLZVDNSA-N 1 2 254.293 1.610 20 30 CDEDLO CC(N=Nc1ncnc2c1cnn2C)c1ccc(N)[nH+]c1 ZINC000814804064 734596538 /nfs/dbraw/zinc/59/65/38/734596538.db2.gz YCHQEIJKPMAQIC-UHFFFAOYSA-N 1 2 282.311 1.177 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ncc3n2CCCC3)C1 ZINC001044313043 734621446 /nfs/dbraw/zinc/62/14/46/734621446.db2.gz JLJZOJKTCJAUEP-UHFFFAOYSA-N 1 2 288.395 1.552 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCOC1 ZINC001039336437 734657881 /nfs/dbraw/zinc/65/78/81/734657881.db2.gz CYBFCVCFXVRETG-MJBXVCDLSA-N 1 2 298.814 1.841 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCOC1 ZINC001039336437 734657885 /nfs/dbraw/zinc/65/78/85/734657885.db2.gz CYBFCVCFXVRETG-MJBXVCDLSA-N 1 2 298.814 1.841 20 30 CDEDLO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+]2C/C=C/Cl)c1 ZINC001038685773 734722575 /nfs/dbraw/zinc/72/25/75/734722575.db2.gz XKJZYTNQTVIDFB-LYKUJDHUSA-N 1 2 289.766 1.620 20 30 CDEDLO C#Cc1cncc(C(=O)NC[C@H]2CC[N@@H+]2C/C=C/Cl)c1 ZINC001038685773 734722583 /nfs/dbraw/zinc/72/25/83/734722583.db2.gz XKJZYTNQTVIDFB-LYKUJDHUSA-N 1 2 289.766 1.620 20 30 CDEDLO C#C[C@@H](NC(=O)Nc1cc(C)[nH+]cc1C)[C@H]1CCCO1 ZINC000775696493 734734174 /nfs/dbraw/zinc/73/41/74/734734174.db2.gz BDZULZDQUNLJJZ-TZMCWYRMSA-N 1 2 273.336 1.423 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C)nc2C(C)C)C1 ZINC001030752206 734736608 /nfs/dbraw/zinc/73/66/08/734736608.db2.gz BJTSHJCGQUOZSH-UHFFFAOYSA-N 1 2 285.391 1.951 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2coc(CC)n2)C1 ZINC001035339799 734750891 /nfs/dbraw/zinc/75/08/91/734750891.db2.gz BXOGOLYJKOOLFM-LBPRGKRZSA-N 1 2 293.367 1.244 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2coc(CC)n2)C1 ZINC001035339799 734750897 /nfs/dbraw/zinc/75/08/97/734750897.db2.gz BXOGOLYJKOOLFM-LBPRGKRZSA-N 1 2 293.367 1.244 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccc3nccnc32)C1 ZINC001044084063 734758638 /nfs/dbraw/zinc/75/86/38/734758638.db2.gz CWAIMGOQKOZVOS-UHFFFAOYSA-N 1 2 296.374 1.962 20 30 CDEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)/C(C)=C/C)C2)CC1 ZINC001052010095 734790631 /nfs/dbraw/zinc/79/06/31/734790631.db2.gz SOYUPYOOPWRSLY-UZPPOTPCSA-N 1 2 289.423 1.194 20 30 CDEDLO C#Cc1ccc(NC(=O)N[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000934937499 734797006 /nfs/dbraw/zinc/79/70/06/734797006.db2.gz IXKNLHCIZIZSDC-CYBMUJFWSA-N 1 2 287.363 1.510 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccccc1 ZINC001032737339 734803944 /nfs/dbraw/zinc/80/39/44/734803944.db2.gz NUSDYBGZSVAEDG-BPUTZDHNSA-N 1 2 268.360 1.708 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccccc1 ZINC001032737339 734803949 /nfs/dbraw/zinc/80/39/49/734803949.db2.gz NUSDYBGZSVAEDG-BPUTZDHNSA-N 1 2 268.360 1.708 20 30 CDEDLO CC[C@H](C)NC(=O)CO[NH+]=C(N)Cc1ccc(OC)cc1 ZINC000060455385 734826833 /nfs/dbraw/zinc/82/68/33/734826833.db2.gz LFANTTCXFHHNTH-NSHDSACASA-N 1 2 293.367 1.441 20 30 CDEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C(C)(C)C ZINC000852341920 734832954 /nfs/dbraw/zinc/83/29/54/734832954.db2.gz ZWEAXWXIPRXBRI-KBPBESRZSA-N 1 2 293.411 1.150 20 30 CDEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ccn[nH]1 ZINC001010285763 734869773 /nfs/dbraw/zinc/86/97/73/734869773.db2.gz IFAJMQPOUPEIOI-OAHLLOKOSA-N 1 2 294.358 1.266 20 30 CDEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ccn[nH]1 ZINC001010285763 734869777 /nfs/dbraw/zinc/86/97/77/734869777.db2.gz IFAJMQPOUPEIOI-OAHLLOKOSA-N 1 2 294.358 1.266 20 30 CDEDLO C#CCCCCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000853852809 734870260 /nfs/dbraw/zinc/87/02/60/734870260.db2.gz OVPLWVWPCDZMPN-KGLIPLIRSA-N 1 2 281.400 1.198 20 30 CDEDLO C#CCCCCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000853852809 734870262 /nfs/dbraw/zinc/87/02/62/734870262.db2.gz OVPLWVWPCDZMPN-KGLIPLIRSA-N 1 2 281.400 1.198 20 30 CDEDLO C[C@@H](C#N)OCC[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000801941603 734893353 /nfs/dbraw/zinc/89/33/53/734893353.db2.gz RLQCFTJQSHRWAE-STQMWFEESA-N 1 2 294.424 1.750 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]N[C@H](C)C(C)(C)C ZINC000793114786 734905539 /nfs/dbraw/zinc/90/55/39/734905539.db2.gz NMGJOZLLSPFUMY-MRVPVSSYSA-N 1 2 251.334 1.426 20 30 CDEDLO C[C@@H](CCC#N)[N@@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879763189 734919756 /nfs/dbraw/zinc/91/97/56/734919756.db2.gz JGCPLKVJPDVUDO-ONGXEEELSA-N 1 2 277.290 1.822 20 30 CDEDLO C[C@@H](CCC#N)[N@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879763189 734919762 /nfs/dbraw/zinc/91/97/62/734919762.db2.gz JGCPLKVJPDVUDO-ONGXEEELSA-N 1 2 277.290 1.822 20 30 CDEDLO COC(=O)[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)C1CC1 ZINC000788463411 734955116 /nfs/dbraw/zinc/95/51/16/734955116.db2.gz BOAKZYCBRKYOMM-HNNXBMFYSA-N 1 2 288.347 1.868 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2csc(Cl)n2)C1 ZINC001044146034 734962067 /nfs/dbraw/zinc/96/20/67/734962067.db2.gz SGSVPABAQXVTJQ-UHFFFAOYSA-N 1 2 283.784 1.576 20 30 CDEDLO C=CCNC(=O)[C@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845277961 734965929 /nfs/dbraw/zinc/96/59/29/734965929.db2.gz QOXKRUYWHNPESN-QWRGUYRKSA-N 1 2 265.313 1.068 20 30 CDEDLO N#CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC[C@H]12 ZINC000991122604 734975872 /nfs/dbraw/zinc/97/58/72/734975872.db2.gz WHQOUVQEQQLFDR-HLSYRSCKSA-N 1 2 299.378 1.150 20 30 CDEDLO N#CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC[C@H]12 ZINC000991122604 734975877 /nfs/dbraw/zinc/97/58/77/734975877.db2.gz WHQOUVQEQQLFDR-HLSYRSCKSA-N 1 2 299.378 1.150 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2ccsc2[nH]1 ZINC001038569618 734986260 /nfs/dbraw/zinc/98/62/60/734986260.db2.gz DHULFDBUBDIOJU-NSHDSACASA-N 1 2 273.361 1.667 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2ccsc2[nH]1 ZINC001038569618 734986263 /nfs/dbraw/zinc/98/62/63/734986263.db2.gz DHULFDBUBDIOJU-NSHDSACASA-N 1 2 273.361 1.667 20 30 CDEDLO C#CCN(C(=O)C(F)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000886577290 734990512 /nfs/dbraw/zinc/99/05/12/734990512.db2.gz COADPKBEFWSOOO-JTQLQIEISA-N 1 2 280.265 1.443 20 30 CDEDLO C=C(Br)C[NH+]1CCC(NC(=O)CC)CC1 ZINC001002191702 735001035 /nfs/dbraw/zinc/00/10/35/735001035.db2.gz HCGWUBBBAJAFHT-UHFFFAOYSA-N 1 2 275.190 1.886 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccccc2nn1 ZINC001032553993 735007523 /nfs/dbraw/zinc/00/75/23/735007523.db2.gz OVNOJWMAIXZRCG-KBPBESRZSA-N 1 2 292.342 1.162 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccccc2nn1 ZINC001032553993 735007528 /nfs/dbraw/zinc/00/75/28/735007528.db2.gz OVNOJWMAIXZRCG-KBPBESRZSA-N 1 2 292.342 1.162 20 30 CDEDLO C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(F)F)C[C@@H]21 ZINC001074137130 735018879 /nfs/dbraw/zinc/01/88/79/735018879.db2.gz MYHHDNXUHALZBT-NWDGAFQWSA-N 1 2 288.338 1.519 20 30 CDEDLO C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)C(F)F)C[C@@H]21 ZINC001074137130 735018883 /nfs/dbraw/zinc/01/88/83/735018883.db2.gz MYHHDNXUHALZBT-NWDGAFQWSA-N 1 2 288.338 1.519 20 30 CDEDLO C#CCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172924027 735022047 /nfs/dbraw/zinc/02/20/47/735022047.db2.gz PMQZVJIKTLDGQF-UHFFFAOYSA-N 1 2 298.302 1.924 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(F)cccc1OC ZINC001032419176 735023168 /nfs/dbraw/zinc/02/31/68/735023168.db2.gz GSVQESCHSQJTQF-RYUDHWBXSA-N 1 2 288.322 1.366 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(F)cccc1OC ZINC001032419176 735023170 /nfs/dbraw/zinc/02/31/70/735023170.db2.gz GSVQESCHSQJTQF-RYUDHWBXSA-N 1 2 288.322 1.366 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cnc(C(C)(C)C)s2)C1 ZINC001016347205 735037091 /nfs/dbraw/zinc/03/70/91/735037091.db2.gz GVSHPWMPMWBZOH-LLVKDONJSA-N 1 2 291.420 1.878 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnc(C(C)(C)C)s2)C1 ZINC001016347205 735037093 /nfs/dbraw/zinc/03/70/93/735037093.db2.gz GVSHPWMPMWBZOH-LLVKDONJSA-N 1 2 291.420 1.878 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001030722358 735039510 /nfs/dbraw/zinc/03/95/10/735039510.db2.gz XFJAISGIDSQEJM-BTTYYORXSA-N 1 2 260.381 1.636 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C)ncn2)C1 ZINC001033015906 735047522 /nfs/dbraw/zinc/04/75/22/735047522.db2.gz XVBYGGPOXDQFGH-GFCCVEGCSA-N 1 2 294.786 1.684 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)ncn2)C1 ZINC001033015906 735047527 /nfs/dbraw/zinc/04/75/27/735047527.db2.gz XVBYGGPOXDQFGH-GFCCVEGCSA-N 1 2 294.786 1.684 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2scnc2Cl)C1 ZINC001016267656 735051152 /nfs/dbraw/zinc/05/11/52/735051152.db2.gz YNMNLZUSLOTIHS-VIFPVBQESA-N 1 2 283.784 1.624 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2scnc2Cl)C1 ZINC001016267656 735051155 /nfs/dbraw/zinc/05/11/55/735051155.db2.gz YNMNLZUSLOTIHS-VIFPVBQESA-N 1 2 283.784 1.624 20 30 CDEDLO C=CCC1(O)CCN(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000884083798 735070672 /nfs/dbraw/zinc/07/06/72/735070672.db2.gz ZUDMDDMWGKVXCE-CYBMUJFWSA-N 1 2 292.383 1.384 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NCCCNC(C)=O ZINC000820619419 735099043 /nfs/dbraw/zinc/09/90/43/735099043.db2.gz NJLJIKOMEVFBGD-UHFFFAOYSA-N 1 2 275.352 1.812 20 30 CDEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)C#N)CC2 ZINC001035671370 735115281 /nfs/dbraw/zinc/11/52/81/735115281.db2.gz ARFSMVYTDGCXIH-NSHDSACASA-N 1 2 281.787 1.823 20 30 CDEDLO C#C[C@H]([NH2+]Cc1ccc(Cl)nn1)[C@H]1CCCO1 ZINC000877418362 735138530 /nfs/dbraw/zinc/13/85/30/735138530.db2.gz XVBXFHMOCXUOPC-WDEREUQCSA-N 1 2 251.717 1.400 20 30 CDEDLO C#Cc1cnc(N2CC[NH+](Cc3cccc(F)c3)CC2)nc1 ZINC000827772161 735140671 /nfs/dbraw/zinc/14/06/71/735140671.db2.gz LLIBBPCFYGQNRC-UHFFFAOYSA-N 1 2 296.349 1.919 20 30 CDEDLO C[C@@H](F)CC[NH+]1CC2(C1)CN(C(=O)C#CC1CC1)CCO2 ZINC001053250209 735142393 /nfs/dbraw/zinc/14/23/93/735142393.db2.gz KVOISYQUDWRFFF-CYBMUJFWSA-N 1 2 294.370 1.061 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncc(Cl)c1C ZINC001038360969 735162055 /nfs/dbraw/zinc/16/20/55/735162055.db2.gz OBICLPLRJSNAQC-GFCCVEGCSA-N 1 2 291.782 1.871 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cncc(Cl)c1C ZINC001038360969 735162058 /nfs/dbraw/zinc/16/20/58/735162058.db2.gz OBICLPLRJSNAQC-GFCCVEGCSA-N 1 2 291.782 1.871 20 30 CDEDLO C=C[C@](C)(CC)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800212182 735176368 /nfs/dbraw/zinc/17/63/68/735176368.db2.gz VWPAVGKOYWQFTC-GXTWGEPZSA-N 1 2 255.358 1.853 20 30 CDEDLO C=C[C@](C)(CC)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800212182 735176370 /nfs/dbraw/zinc/17/63/70/735176370.db2.gz VWPAVGKOYWQFTC-GXTWGEPZSA-N 1 2 255.358 1.853 20 30 CDEDLO CC(=NNC1=[NH+]CCN1)c1nnn(-c2ccc(C)cc2)c1C ZINC000841661455 735179997 /nfs/dbraw/zinc/17/99/97/735179997.db2.gz XSYZBFGPKKFVSN-UHFFFAOYSA-N 1 2 297.366 1.157 20 30 CDEDLO COc1ccc(COC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000078320946 735187236 /nfs/dbraw/zinc/18/72/36/735187236.db2.gz QQKNKTHPVKITSK-AWEZNQCLSA-N 1 2 278.352 1.418 20 30 CDEDLO COc1ccc(COC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000078320946 735187237 /nfs/dbraw/zinc/18/72/37/735187237.db2.gz QQKNKTHPVKITSK-AWEZNQCLSA-N 1 2 278.352 1.418 20 30 CDEDLO C#CCN1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000112920033 735188640 /nfs/dbraw/zinc/18/86/40/735188640.db2.gz CXECNFKWNOCVOQ-UHFFFAOYSA-N 1 2 294.358 1.263 20 30 CDEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001007743945 735219840 /nfs/dbraw/zinc/21/98/40/735219840.db2.gz DVGIDPOVDWLMEW-LLVKDONJSA-N 1 2 274.368 1.279 20 30 CDEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001007743945 735219842 /nfs/dbraw/zinc/21/98/42/735219842.db2.gz DVGIDPOVDWLMEW-LLVKDONJSA-N 1 2 274.368 1.279 20 30 CDEDLO C#C[C@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)[C@H]1CCCO1 ZINC000847758911 735229690 /nfs/dbraw/zinc/22/96/90/735229690.db2.gz PQVBYVRFBYQDQY-UONOGXRCSA-N 1 2 283.331 1.553 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2c(F)ccc(O)c2F)C1 ZINC000923562259 735257584 /nfs/dbraw/zinc/25/75/84/735257584.db2.gz TZCXTGVWSJJRKL-JTQLQIEISA-N 1 2 294.301 1.498 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2c(F)ccc(O)c2F)C1 ZINC000923562259 735257588 /nfs/dbraw/zinc/25/75/88/735257588.db2.gz TZCXTGVWSJJRKL-JTQLQIEISA-N 1 2 294.301 1.498 20 30 CDEDLO Cc1nn2c([nH]c3ccccc3c2=O)c1C=[NH+]N1CCC1 ZINC000872395967 735265733 /nfs/dbraw/zinc/26/57/33/735265733.db2.gz LXUNKRYYMXYEFZ-UHFFFAOYSA-N 1 2 281.319 1.524 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001046590114 735267257 /nfs/dbraw/zinc/26/72/57/735267257.db2.gz GQTBBRFKYCUUNX-CYBMUJFWSA-N 1 2 298.774 1.072 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001046590114 735267262 /nfs/dbraw/zinc/26/72/62/735267262.db2.gz GQTBBRFKYCUUNX-CYBMUJFWSA-N 1 2 298.774 1.072 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)C(C)(C)[C@H]1c1cnn(C)c1)C1CC1 ZINC000808175777 735277024 /nfs/dbraw/zinc/27/70/24/735277024.db2.gz UXTBEYQBFIKWTH-CQSZACIVSA-N 1 2 288.395 1.938 20 30 CDEDLO C=CC[N@H+](CN1C(=O)C(C)(C)[C@H]1c1cnn(C)c1)C1CC1 ZINC000808175777 735277029 /nfs/dbraw/zinc/27/70/29/735277029.db2.gz UXTBEYQBFIKWTH-CQSZACIVSA-N 1 2 288.395 1.938 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928635371 735569118 /nfs/dbraw/zinc/56/91/18/735569118.db2.gz KWNVHDJYEBLQCR-RRFJBIMHSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccoc2C)C1 ZINC001035283002 735584880 /nfs/dbraw/zinc/58/48/80/735584880.db2.gz JXMCQYYIFYOWPV-LBPRGKRZSA-N 1 2 264.325 1.205 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccoc2C)C1 ZINC001035283002 735584892 /nfs/dbraw/zinc/58/48/92/735584892.db2.gz JXMCQYYIFYOWPV-LBPRGKRZSA-N 1 2 264.325 1.205 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1CCO[C@@H](C)C#N ZINC000801943381 735634330 /nfs/dbraw/zinc/63/43/30/735634330.db2.gz SNPSKIUSUVOLKP-WOPDTQHZSA-N 1 2 254.330 1.189 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1CCO[C@@H](C)C#N ZINC000801943381 735634331 /nfs/dbraw/zinc/63/43/31/735634331.db2.gz SNPSKIUSUVOLKP-WOPDTQHZSA-N 1 2 254.330 1.189 20 30 CDEDLO C#CC[NH+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000112997735 735644644 /nfs/dbraw/zinc/64/46/44/735644644.db2.gz ORPBJORZZSFFST-VXGBXAGGSA-N 1 2 252.358 1.949 20 30 CDEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3ccc[nH]3)c2C1 ZINC001069852964 735651923 /nfs/dbraw/zinc/65/19/23/735651923.db2.gz QQSLMEGVIAEBMM-UHFFFAOYSA-N 1 2 299.378 1.533 20 30 CDEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3ccc[nH]3)c2C1 ZINC001069852964 735651924 /nfs/dbraw/zinc/65/19/24/735651924.db2.gz QQSLMEGVIAEBMM-UHFFFAOYSA-N 1 2 299.378 1.533 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC=CCC1)O2 ZINC001053572968 735682257 /nfs/dbraw/zinc/68/22/57/735682257.db2.gz YGSDINKENVYCRL-HUUCEWRRSA-N 1 2 290.407 1.878 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2=CCOCC2)C1 ZINC001042647211 735688960 /nfs/dbraw/zinc/68/89/60/735688960.db2.gz ONZWGCCKNFNNPC-UHFFFAOYSA-N 1 2 250.342 1.052 20 30 CDEDLO C#CCN(C)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000812093004 735805105 /nfs/dbraw/zinc/80/51/05/735805105.db2.gz WMPOPLVHKWZDBD-UHFFFAOYSA-N 1 2 270.336 1.460 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCc2ncnn2C(C)C)cc1 ZINC000853654672 735861633 /nfs/dbraw/zinc/86/16/33/735861633.db2.gz JPTUDHZDNGPTFA-UHFFFAOYSA-N 1 2 289.339 1.705 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2oc(CC)nc2C)C1 ZINC000923559812 735896921 /nfs/dbraw/zinc/89/69/21/735896921.db2.gz UEFHAPZZAHLMPH-GFCCVEGCSA-N 1 2 275.352 1.373 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2oc(CC)nc2C)C1 ZINC000923559812 735896923 /nfs/dbraw/zinc/89/69/23/735896923.db2.gz UEFHAPZZAHLMPH-GFCCVEGCSA-N 1 2 275.352 1.373 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OC(C)C)nc1 ZINC001038319047 735973259 /nfs/dbraw/zinc/97/32/59/735973259.db2.gz AQMGETICCQZUAE-CQSZACIVSA-N 1 2 287.363 1.306 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OC(C)C)nc1 ZINC001038319047 735973266 /nfs/dbraw/zinc/97/32/66/735973266.db2.gz AQMGETICCQZUAE-CQSZACIVSA-N 1 2 287.363 1.306 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc[nH]3)C[C@@H]21 ZINC001074412756 735986734 /nfs/dbraw/zinc/98/67/34/735986734.db2.gz LYAWLCLSWBZDEY-GJZGRUSLSA-N 1 2 289.379 1.045 20 30 CDEDLO C=CC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc[nH]3)C[C@@H]21 ZINC001074412756 735986739 /nfs/dbraw/zinc/98/67/39/735986739.db2.gz LYAWLCLSWBZDEY-GJZGRUSLSA-N 1 2 289.379 1.045 20 30 CDEDLO CC(C)C#CC(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000870135097 736033141 /nfs/dbraw/zinc/03/31/41/736033141.db2.gz YZZKKBOBXGFVCN-UHFFFAOYSA-N 1 2 286.375 1.696 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2Cc3c(cccc3C)O2)C1 ZINC001031266380 736080499 /nfs/dbraw/zinc/08/04/99/736080499.db2.gz RCLFTBBVIADQNW-MRXNPFEDSA-N 1 2 284.359 1.122 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2c(C)cccc2C)C1 ZINC001030380511 736134799 /nfs/dbraw/zinc/13/47/99/736134799.db2.gz FRANAZPKQFHVKI-UHFFFAOYSA-N 1 2 258.365 1.832 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000775350954 736165069 /nfs/dbraw/zinc/16/50/69/736165069.db2.gz FJGAKLHHLOLTNQ-LBPRGKRZSA-N 1 2 292.383 1.762 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(OC)c2)C1 ZINC001031302740 736229226 /nfs/dbraw/zinc/22/92/26/736229226.db2.gz CBKNXYROILYPNK-UHFFFAOYSA-N 1 2 258.321 1.133 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@]13C[C@H]1CCC3)CCO2 ZINC001053348474 736230016 /nfs/dbraw/zinc/23/00/16/736230016.db2.gz BKBXLEIQCDASBN-RHSMWYFYSA-N 1 2 290.407 1.666 20 30 CDEDLO CCN(C(=O)c1cccc2[nH+]ccn21)[C@H]1CCN(CC#N)C1 ZINC001033898195 736240793 /nfs/dbraw/zinc/24/07/93/736240793.db2.gz UCUGIVMNRAFWPO-ZDUSSCGKSA-N 1 2 297.362 1.394 20 30 CDEDLO C[C@@H](C#N)N(CN1C[C@@H](c2c[nH+]cn2C)CC1=O)C1CC1 ZINC000853546684 736252470 /nfs/dbraw/zinc/25/24/70/736252470.db2.gz GWQWVKRPLDGZLV-RYUDHWBXSA-N 1 2 287.367 1.070 20 30 CDEDLO C#C[C@H](C)NC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000923218516 736264364 /nfs/dbraw/zinc/26/43/64/736264364.db2.gz SMDWXGBULKFALZ-LBPRGKRZSA-N 1 2 272.352 1.689 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c3c[nH]nc3ccc2C)C1 ZINC001030580449 736297915 /nfs/dbraw/zinc/29/79/15/736297915.db2.gz XSXLIHGUOLXGIZ-UHFFFAOYSA-N 1 2 284.363 1.861 20 30 CDEDLO C[C@@H](C#N)OCC[N@@H+]1CCCC[C@H]1C(=O)NCC(F)F ZINC000832130368 736324734 /nfs/dbraw/zinc/32/47/34/736324734.db2.gz STVHIQNTWNDPGE-QWRGUYRKSA-N 1 2 289.326 1.151 20 30 CDEDLO C[C@@H](C#N)OCC[N@H+]1CCCC[C@H]1C(=O)NCC(F)F ZINC000832130368 736324741 /nfs/dbraw/zinc/32/47/41/736324741.db2.gz STVHIQNTWNDPGE-QWRGUYRKSA-N 1 2 289.326 1.151 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)COC)C1 ZINC001446503566 966561032 /nfs/dbraw/zinc/56/10/32/966561032.db2.gz CMAJPPULGWZAGM-LLVKDONJSA-N 1 2 291.189 1.122 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)COC)C1 ZINC001446503566 966561036 /nfs/dbraw/zinc/56/10/36/966561036.db2.gz CMAJPPULGWZAGM-LLVKDONJSA-N 1 2 291.189 1.122 20 30 CDEDLO CC#CCCCC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001095077627 912356385 /nfs/dbraw/zinc/35/63/85/912356385.db2.gz RTSUOVBILTYMOA-CQSZACIVSA-N 1 2 286.379 1.991 20 30 CDEDLO COC(=O)c1ccc(C[C@H](C)N2CC[NH2+]C[C@@H]2C#N)cc1 ZINC001173720507 912751222 /nfs/dbraw/zinc/75/12/22/912751222.db2.gz VBSAVPXLUPDEQK-WFASDCNBSA-N 1 2 287.363 1.202 20 30 CDEDLO CCCCCCC[NH+]1CC2(C1)CN(C1COC1)C(=O)CO2 ZINC001272478861 913203499 /nfs/dbraw/zinc/20/34/99/913203499.db2.gz QTDWSEFIMSIGOD-UHFFFAOYSA-N 1 2 296.411 1.269 20 30 CDEDLO N#CCNCC1(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001168474785 913772778 /nfs/dbraw/zinc/77/27/78/913772778.db2.gz KWDBYLMFZWUHIP-UHFFFAOYSA-N 1 2 289.383 1.063 20 30 CDEDLO C=C(C)CN(CC)c1cc(N2CCC[C@@H]2C(N)=O)nc[nH+]1 ZINC001167051008 894009133 /nfs/dbraw/zinc/00/91/33/894009133.db2.gz UFKHLIPZAUVEAD-GFCCVEGCSA-N 1 2 289.383 1.333 20 30 CDEDLO C=C(C)CN(CC)c1cc(N2CCC[C@@H]2C(N)=O)[nH+]cn1 ZINC001167051008 894009148 /nfs/dbraw/zinc/00/91/48/894009148.db2.gz UFKHLIPZAUVEAD-GFCCVEGCSA-N 1 2 289.383 1.333 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1c[nH]c(=O)n1C)C1CC1 ZINC001493401077 894112168 /nfs/dbraw/zinc/11/21/68/894112168.db2.gz PWFBVGUZLXPUGQ-UHFFFAOYSA-N 1 2 298.774 1.072 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1c[nH]c(=O)n1C)C1CC1 ZINC001493401077 894112177 /nfs/dbraw/zinc/11/21/77/894112177.db2.gz PWFBVGUZLXPUGQ-UHFFFAOYSA-N 1 2 298.774 1.072 20 30 CDEDLO C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1CNCC#N ZINC001106317781 913854749 /nfs/dbraw/zinc/85/47/49/913854749.db2.gz TXSXNWFXPKYWLI-DGCLKSJQSA-N 1 2 297.362 1.384 20 30 CDEDLO C[C@@H](CCNc1ncccc1C#N)NC(=O)Cn1cc[nH+]c1 ZINC001106361819 913882854 /nfs/dbraw/zinc/88/28/54/913882854.db2.gz GFSYXCKPVKWNTP-LBPRGKRZSA-N 1 2 298.350 1.157 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N[C@H](C)CCNc1cc[nH+]c(C)n1 ZINC001106368752 913884871 /nfs/dbraw/zinc/88/48/71/913884871.db2.gz WOTSOSLZGIGCNV-NEPJUHHUSA-N 1 2 292.383 1.683 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1C1=CC(=O)C[C@H](C)C1 ZINC001210766251 895409480 /nfs/dbraw/zinc/40/94/80/895409480.db2.gz LABQZRRGXDVUDR-MRVPVSSYSA-N 1 2 263.297 1.482 20 30 CDEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1ccncn1)C2 ZINC001140345005 895839555 /nfs/dbraw/zinc/83/95/55/895839555.db2.gz FKIBSYLCMSJAPL-UHFFFAOYSA-N 1 2 250.305 1.907 20 30 CDEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1ccncn1)C2 ZINC001140345005 895839569 /nfs/dbraw/zinc/83/95/69/895839569.db2.gz FKIBSYLCMSJAPL-UHFFFAOYSA-N 1 2 250.305 1.907 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1C ZINC001207180201 895933292 /nfs/dbraw/zinc/93/32/92/895933292.db2.gz WERRPYXZTFGIOI-ZIAGYGMSSA-N 1 2 290.411 1.713 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1C ZINC001207180201 895933302 /nfs/dbraw/zinc/93/33/02/895933302.db2.gz WERRPYXZTFGIOI-ZIAGYGMSSA-N 1 2 290.411 1.713 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1coc(C2CC2)n1 ZINC001480921949 896997487 /nfs/dbraw/zinc/99/74/87/896997487.db2.gz VEIKNIBPUVAVHG-UHFFFAOYSA-N 1 2 283.759 1.966 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1coc(C2CC2)n1 ZINC001480921949 896997492 /nfs/dbraw/zinc/99/74/92/896997492.db2.gz VEIKNIBPUVAVHG-UHFFFAOYSA-N 1 2 283.759 1.966 20 30 CDEDLO C=CCCOCC(=O)NCC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001099249356 914205806 /nfs/dbraw/zinc/20/58/06/914205806.db2.gz XEWUEYAPPWGJMQ-GFCCVEGCSA-N 1 2 292.383 1.684 20 30 CDEDLO COC(=O)c1cc(C#N)cc(NC(=O)CCn2cc[nH+]c2)c1 ZINC001176878765 914332941 /nfs/dbraw/zinc/33/29/41/914332941.db2.gz JPNVZLVVIMLIOD-UHFFFAOYSA-N 1 2 298.302 1.570 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCCF)C[C@@H]21 ZINC001177066866 914473694 /nfs/dbraw/zinc/47/36/94/914473694.db2.gz HBXPFQIZDDJLFE-UONOGXRCSA-N 1 2 282.359 1.061 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCF)C[C@@H]21 ZINC001177066866 914473697 /nfs/dbraw/zinc/47/36/97/914473697.db2.gz HBXPFQIZDDJLFE-UONOGXRCSA-N 1 2 282.359 1.061 20 30 CDEDLO C[C@H](C#N)C(=O)NCC1C[NH+](Cc2cccc(F)c2F)C1 ZINC001481617755 901473752 /nfs/dbraw/zinc/47/37/52/901473752.db2.gz QOXYXSCGQDYERA-SNVBAGLBSA-N 1 2 293.317 1.672 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCc3[nH+]ccn3CC2)cc1 ZINC001188727545 921171345 /nfs/dbraw/zinc/17/13/45/921171345.db2.gz DINSVOWWTDUKAP-UHFFFAOYSA-N 1 2 265.316 1.563 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](C)n1cccn1 ZINC001482580813 907387209 /nfs/dbraw/zinc/38/72/09/907387209.db2.gz IWBUIRGJAUAIIN-LBPRGKRZSA-N 1 2 284.791 1.587 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](C)n1cccn1 ZINC001482580813 907387228 /nfs/dbraw/zinc/38/72/28/907387228.db2.gz IWBUIRGJAUAIIN-LBPRGKRZSA-N 1 2 284.791 1.587 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccco2)[C@@H](O)C1 ZINC001090021638 921364922 /nfs/dbraw/zinc/36/49/22/921364922.db2.gz WOFNJCIQMUFWIU-QWRGUYRKSA-N 1 2 284.743 1.197 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccco2)[C@@H](O)C1 ZINC001090021638 921364931 /nfs/dbraw/zinc/36/49/31/921364931.db2.gz WOFNJCIQMUFWIU-QWRGUYRKSA-N 1 2 284.743 1.197 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(Cl)c2C)[C@@H](O)C1 ZINC001083479146 909371244 /nfs/dbraw/zinc/37/12/44/909371244.db2.gz XWAGDIPKPQGHGY-KGLIPLIRSA-N 1 2 292.766 1.057 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(Cl)c2C)[C@@H](O)C1 ZINC001083479146 909371252 /nfs/dbraw/zinc/37/12/52/909371252.db2.gz XWAGDIPKPQGHGY-KGLIPLIRSA-N 1 2 292.766 1.057 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sc(C)cc2C)C1 ZINC001077066919 910173318 /nfs/dbraw/zinc/17/33/18/910173318.db2.gz FBSBMNFBXTXCJM-CHWSQXEVSA-N 1 2 292.404 1.163 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sc(C)cc2C)C1 ZINC001077066919 910173331 /nfs/dbraw/zinc/17/33/31/910173331.db2.gz FBSBMNFBXTXCJM-CHWSQXEVSA-N 1 2 292.404 1.163 20 30 CDEDLO C=CCO[C@@H](C)C(=O)NCCCNc1cc[nH+]c(C)n1 ZINC001094476924 910621831 /nfs/dbraw/zinc/62/18/31/910621831.db2.gz LLDBEQBRRUVBBY-NSHDSACASA-N 1 2 278.356 1.294 20 30 CDEDLO C=CCCOCC(=O)NCCCNc1cc[nH+]c(C)n1 ZINC001094477148 910622310 /nfs/dbraw/zinc/62/23/10/910622310.db2.gz UPCBVQXGUVRQIA-UHFFFAOYSA-N 1 2 278.356 1.296 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)NCCCNc1ncccc1C#N ZINC001094524869 910643690 /nfs/dbraw/zinc/64/36/90/910643690.db2.gz UKPOAQINHUJELN-UHFFFAOYSA-N 1 2 298.350 1.146 20 30 CDEDLO O=C1C=C2C[N@H+](C3C[C@H]4CC[C@@H](C3)O4)CC[C@@H]2S1 ZINC001172225109 911463172 /nfs/dbraw/zinc/46/31/72/911463172.db2.gz RECWNKOAECCDDW-WVMKXHBISA-N 1 2 265.378 1.971 20 30 CDEDLO O=C1C=C2C[N@@H+](C3C[C@H]4CC[C@@H](C3)O4)CC[C@@H]2S1 ZINC001172225109 911463181 /nfs/dbraw/zinc/46/31/81/911463181.db2.gz RECWNKOAECCDDW-WVMKXHBISA-N 1 2 265.378 1.971 20 30 CDEDLO C#Cc1ccc(Nc2ccc(C[NH+]3CC(O)C3)cc2)cn1 ZINC001212667548 911724965 /nfs/dbraw/zinc/72/49/65/911724965.db2.gz YDMNVBOHTLNECM-UHFFFAOYSA-N 1 2 279.343 1.983 20 30 CDEDLO C=CC[C@@](C)([NH2+][C@@H]1CCC[C@H](C(=O)OC)C1)C(=O)OC ZINC001172611137 911786548 /nfs/dbraw/zinc/78/65/48/911786548.db2.gz LXWQFYUUUQJWBR-YWPYICTPSA-N 1 2 283.368 1.816 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnc3ccccn23)C1 ZINC001030577947 912073768 /nfs/dbraw/zinc/07/37/68/912073768.db2.gz XLSXQNFGRMMBMQ-UHFFFAOYSA-N 1 2 270.336 1.324 20 30 CDEDLO O=C(C#Cc1ccccn1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001177801995 914944492 /nfs/dbraw/zinc/94/44/92/914944492.db2.gz RKBUMFDYPRKTFO-CYBMUJFWSA-N 1 2 280.331 1.562 20 30 CDEDLO N#Cc1ccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)c(C#N)c1 ZINC001178117824 915181466 /nfs/dbraw/zinc/18/14/66/915181466.db2.gz IWJPPRYHUSSDIC-LBPRGKRZSA-N 1 2 291.314 1.828 20 30 CDEDLO C=CCSCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001180561788 916470474 /nfs/dbraw/zinc/47/04/74/916470474.db2.gz YQZQQZJYRXGAFR-GFCCVEGCSA-N 1 2 277.393 1.696 20 30 CDEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(C(C)(C)C#N)nc2)C1 ZINC001180755488 916607656 /nfs/dbraw/zinc/60/76/56/916607656.db2.gz JAOTZNBIWRVSPS-LBPRGKRZSA-N 1 2 288.351 1.152 20 30 CDEDLO C[N@H+]1CCO[C@H](C(=O)Nc2ccc(C(C)(C)C#N)nc2)C1 ZINC001180755488 916607669 /nfs/dbraw/zinc/60/76/69/916607669.db2.gz JAOTZNBIWRVSPS-LBPRGKRZSA-N 1 2 288.351 1.152 20 30 CDEDLO C[N@@H+]1CCO[C@@H](C(=O)NC(C)(C)c2ccc(C#N)cc2)C1 ZINC001180761035 916614825 /nfs/dbraw/zinc/61/48/25/916614825.db2.gz SWPJDSYSGWNNLY-CQSZACIVSA-N 1 2 287.363 1.240 20 30 CDEDLO C[N@H+]1CCO[C@@H](C(=O)NC(C)(C)c2ccc(C#N)cc2)C1 ZINC001180761035 916614833 /nfs/dbraw/zinc/61/48/33/916614833.db2.gz SWPJDSYSGWNNLY-CQSZACIVSA-N 1 2 287.363 1.240 20 30 CDEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(F)c(C#N)c2F)C1 ZINC001180762071 916623063 /nfs/dbraw/zinc/62/30/63/916623063.db2.gz PZSSMUSJHQLRHS-NSHDSACASA-N 1 2 281.262 1.106 20 30 CDEDLO C[N@H+]1CCO[C@H](C(=O)Nc2ccc(F)c(C#N)c2F)C1 ZINC001180762071 916623069 /nfs/dbraw/zinc/62/30/69/916623069.db2.gz PZSSMUSJHQLRHS-NSHDSACASA-N 1 2 281.262 1.106 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cc(C)ncn1 ZINC001485296681 916776245 /nfs/dbraw/zinc/77/62/45/916776245.db2.gz REIAKSZVUBTQRQ-LLVKDONJSA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cc(C)ncn1 ZINC001485296681 916776260 /nfs/dbraw/zinc/77/62/60/916776260.db2.gz REIAKSZVUBTQRQ-LLVKDONJSA-N 1 2 282.775 1.588 20 30 CDEDLO C=CCOCCCC(=O)NC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001097771355 936378383 /nfs/dbraw/zinc/37/83/83/936378383.db2.gz ZLTZSKRSIFEYJG-LBPRGKRZSA-N 1 2 292.383 1.684 20 30 CDEDLO C#CCCC1(CCNC(=O)Cc2cc[nH+]c(N)c2)N=N1 ZINC001181277578 916959498 /nfs/dbraw/zinc/95/94/98/916959498.db2.gz XSBXMOMMWOOUMT-UHFFFAOYSA-N 1 2 271.324 1.288 20 30 CDEDLO N#CCN(Cc1ccccc1)C(=O)Cc1cc[nH+]c(N)c1 ZINC001181254314 916974059 /nfs/dbraw/zinc/97/40/59/916974059.db2.gz HIHAPBYZNCQTSK-UHFFFAOYSA-N 1 2 280.331 1.759 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc3occc3s2)[C@@H](O)C1 ZINC001083770741 917362360 /nfs/dbraw/zinc/36/23/60/917362360.db2.gz YGJJPUQWZRGACI-ZJUUUORDSA-N 1 2 292.360 1.455 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc3occc3s2)[C@@H](O)C1 ZINC001083770741 917362368 /nfs/dbraw/zinc/36/23/68/917362368.db2.gz YGJJPUQWZRGACI-ZJUUUORDSA-N 1 2 292.360 1.455 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2ccn(C)n2)C1=O ZINC001272733562 917730531 /nfs/dbraw/zinc/73/05/31/917730531.db2.gz LLSWEPHDTQISOL-OAHLLOKOSA-N 1 2 274.368 1.173 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2ccn(C)n2)C1=O ZINC001272733562 917730541 /nfs/dbraw/zinc/73/05/41/917730541.db2.gz LLSWEPHDTQISOL-OAHLLOKOSA-N 1 2 274.368 1.173 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N(C)C[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001115679962 918365488 /nfs/dbraw/zinc/36/54/88/918365488.db2.gz CSLYVHOYGFMLEU-XHDPSFHLSA-N 1 2 292.383 1.371 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)/C(C)=C\CC)C1 ZINC001107784427 918778355 /nfs/dbraw/zinc/77/83/55/918778355.db2.gz XIEHKWRVCOKMEU-VCHSTOLQSA-N 1 2 278.396 1.573 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)/C(C)=C\CC)C1 ZINC001107784427 918778371 /nfs/dbraw/zinc/77/83/71/918778371.db2.gz XIEHKWRVCOKMEU-VCHSTOLQSA-N 1 2 278.396 1.573 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)CSC)C1 ZINC001107816471 918817875 /nfs/dbraw/zinc/81/78/75/918817875.db2.gz DMKBKCDFENFTSC-TZMCWYRMSA-N 1 2 286.441 1.379 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)CSC)C1 ZINC001107816471 918817878 /nfs/dbraw/zinc/81/78/78/918817878.db2.gz DMKBKCDFENFTSC-TZMCWYRMSA-N 1 2 286.441 1.379 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CCC)C1 ZINC001107822584 918831163 /nfs/dbraw/zinc/83/11/63/918831163.db2.gz AHCRCOLAPJFWHT-DZGCQCFKSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CCC)C1 ZINC001107822584 918831170 /nfs/dbraw/zinc/83/11/70/918831170.db2.gz AHCRCOLAPJFWHT-DZGCQCFKSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCC2CCC2)C1 ZINC001107850612 918878214 /nfs/dbraw/zinc/87/82/14/918878214.db2.gz NWCDRIQWKXMZTI-INIZCTEOSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCC2CCC2)C1 ZINC001107850612 918878225 /nfs/dbraw/zinc/87/82/25/918878225.db2.gz NWCDRIQWKXMZTI-INIZCTEOSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)/C(C)=C\C)C1 ZINC001107852321 918884728 /nfs/dbraw/zinc/88/47/28/918884728.db2.gz GRYGGCPKDJKNGE-ZDWRTJATSA-N 1 2 252.358 1.346 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)/C(C)=C\C)C1 ZINC001107852321 918884748 /nfs/dbraw/zinc/88/47/48/918884748.db2.gz GRYGGCPKDJKNGE-ZDWRTJATSA-N 1 2 252.358 1.346 20 30 CDEDLO C#CCOc1ccc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)cc1 ZINC001138557354 936545806 /nfs/dbraw/zinc/54/58/06/936545806.db2.gz IDRYRKCAVKJCJR-HNNXBMFYSA-N 1 2 288.366 1.927 20 30 CDEDLO C#CCOc1ccc(CN2CC([N@H+]3CC[C@H](F)C3)C2)cc1 ZINC001138557354 936545808 /nfs/dbraw/zinc/54/58/08/936545808.db2.gz IDRYRKCAVKJCJR-HNNXBMFYSA-N 1 2 288.366 1.927 20 30 CDEDLO C#CCOc1ccc(C[NH+]2CC(N3CC[C@H](F)C3)C2)cc1 ZINC001138557354 936545810 /nfs/dbraw/zinc/54/58/10/936545810.db2.gz IDRYRKCAVKJCJR-HNNXBMFYSA-N 1 2 288.366 1.927 20 30 CDEDLO Cc1nc(N[C@@H](C)CCNC(=O)CSCC#N)cc[nH+]1 ZINC001098837959 919035089 /nfs/dbraw/zinc/03/50/89/919035089.db2.gz NBWUKAXSSQVOAZ-JTQLQIEISA-N 1 2 293.396 1.349 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC2(F)F)C1 ZINC001107921803 919054039 /nfs/dbraw/zinc/05/40/39/919054039.db2.gz DUYAXTFSLCXVCV-PWSUYJOCSA-N 1 2 274.311 1.035 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC2(F)F)C1 ZINC001107921803 919054051 /nfs/dbraw/zinc/05/40/51/919054051.db2.gz DUYAXTFSLCXVCV-PWSUYJOCSA-N 1 2 274.311 1.035 20 30 CDEDLO C[C@H](C#N)S(=O)(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000715677700 920020479 /nfs/dbraw/zinc/02/04/79/920020479.db2.gz CWQBJFKEOAXFBL-OCCSQVGLSA-N 1 2 293.392 1.092 20 30 CDEDLO C[C@H](C#N)S(=O)(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000715677700 920020493 /nfs/dbraw/zinc/02/04/93/920020493.db2.gz CWQBJFKEOAXFBL-OCCSQVGLSA-N 1 2 293.392 1.092 20 30 CDEDLO Cc1cc(NC(=O)NCc2c[nH+]cn2C)ncc1C#N ZINC001413603689 936630580 /nfs/dbraw/zinc/63/05/80/936630580.db2.gz DQZZODJVOULVPG-UHFFFAOYSA-N 1 2 270.296 1.317 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCC(C)(F)F)C1 ZINC001108031973 920130491 /nfs/dbraw/zinc/13/04/91/920130491.db2.gz KYFNSEOJMMONDQ-CYBMUJFWSA-N 1 2 290.354 1.815 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCC(C)(F)F)C1 ZINC001108031973 920130499 /nfs/dbraw/zinc/13/04/99/920130499.db2.gz KYFNSEOJMMONDQ-CYBMUJFWSA-N 1 2 290.354 1.815 20 30 CDEDLO C=CCn1cc(CN2CC([NH+]3C[C@@H](C)O[C@H](C)C3)C2)cn1 ZINC001139774325 936646066 /nfs/dbraw/zinc/64/60/66/936646066.db2.gz AROSYWUDVXHQIY-ZIAGYGMSSA-N 1 2 290.411 1.363 20 30 CDEDLO Cc1ccc(C[NH+]2CCN(c3nccnc3C#N)CC2)cn1 ZINC001139932692 936659124 /nfs/dbraw/zinc/65/91/24/936659124.db2.gz JUSCYUAIRDBLKX-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C#N)C2 ZINC001110394545 920579833 /nfs/dbraw/zinc/57/98/33/920579833.db2.gz FFYDLOQASHJWMC-HKWIRBFKSA-N 1 2 267.760 1.620 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C#N)C2 ZINC001110394545 920579835 /nfs/dbraw/zinc/57/98/35/920579835.db2.gz FFYDLOQASHJWMC-HKWIRBFKSA-N 1 2 267.760 1.620 20 30 CDEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1nccnc1N ZINC001140012924 936668600 /nfs/dbraw/zinc/66/86/00/936668600.db2.gz VLQZYUJTNYRTGC-UHFFFAOYSA-N 1 2 253.309 1.562 20 30 CDEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1nccnc1N ZINC001140012924 936668602 /nfs/dbraw/zinc/66/86/02/936668602.db2.gz VLQZYUJTNYRTGC-UHFFFAOYSA-N 1 2 253.309 1.562 20 30 CDEDLO Cc1ccnc(N2CC[NH+](Cc3ccc(C#N)nc3)CC2)c1 ZINC001140544429 936722817 /nfs/dbraw/zinc/72/28/17/936722817.db2.gz OSCRTCAZOXVRSR-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO O=C1C=C2C[N@H+](C[C@@H](O)C(F)(F)F)CC[C@@H]2S1 ZINC001250966198 950493710 /nfs/dbraw/zinc/49/37/10/950493710.db2.gz UEKQZIZDHQGTQU-JGVFFNPUSA-N 1 2 267.272 1.184 20 30 CDEDLO O=C1C=C2C[N@@H+](C[C@@H](O)C(F)(F)F)CC[C@@H]2S1 ZINC001250966198 950493723 /nfs/dbraw/zinc/49/37/23/950493723.db2.gz UEKQZIZDHQGTQU-JGVFFNPUSA-N 1 2 267.272 1.184 20 30 CDEDLO N#Cc1c(F)cc(C[N@H+]2CCC[C@@H](O)C2)cc1F ZINC001140751177 936750324 /nfs/dbraw/zinc/75/03/24/936750324.db2.gz MEYBUGMJFPQDMG-SNVBAGLBSA-N 1 2 252.264 1.793 20 30 CDEDLO N#Cc1c(F)cc(C[N@@H+]2CCC[C@@H](O)C2)cc1F ZINC001140751177 936750325 /nfs/dbraw/zinc/75/03/25/936750325.db2.gz MEYBUGMJFPQDMG-SNVBAGLBSA-N 1 2 252.264 1.793 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)[nH]n1 ZINC001203077416 936775385 /nfs/dbraw/zinc/77/53/85/936775385.db2.gz XGDIIPNYIAHLMZ-UHFFFAOYSA-N 1 2 281.363 1.912 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)ns2)C[C@H]1O ZINC001191724852 922714494 /nfs/dbraw/zinc/71/44/94/922714494.db2.gz UCMZMEHPXHQSKU-CHWSQXEVSA-N 1 2 295.408 1.079 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ns2)C[C@H]1O ZINC001191724852 922714508 /nfs/dbraw/zinc/71/45/08/922714508.db2.gz UCMZMEHPXHQSKU-CHWSQXEVSA-N 1 2 295.408 1.079 20 30 CDEDLO C=C[C@H](CC)CC(=O)NC[C@@]1(C)C[N@H+](CC#CC)CCO1 ZINC001108151148 922792588 /nfs/dbraw/zinc/79/25/88/922792588.db2.gz NKJXKPKNLOSQHA-WBVHZDCISA-N 1 2 292.423 1.819 20 30 CDEDLO C=C[C@H](CC)CC(=O)NC[C@@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001108151148 922792599 /nfs/dbraw/zinc/79/25/99/922792599.db2.gz NKJXKPKNLOSQHA-WBVHZDCISA-N 1 2 292.423 1.819 20 30 CDEDLO CC#CC[NH+]1CC2(C1)CCN(C(=O)c1cnc(C)[nH]1)CC2 ZINC001035668550 923028633 /nfs/dbraw/zinc/02/86/33/923028633.db2.gz HZSKYRFFAQLMRW-UHFFFAOYSA-N 1 2 286.379 1.279 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(CC)CC)[C@H](O)C1 ZINC001099693001 936801468 /nfs/dbraw/zinc/80/14/68/936801468.db2.gz KFILZGOGBVDHDO-QWHCGFSZSA-N 1 2 288.819 1.727 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(CC)CC)[C@H](O)C1 ZINC001099693001 936801469 /nfs/dbraw/zinc/80/14/69/936801469.db2.gz KFILZGOGBVDHDO-QWHCGFSZSA-N 1 2 288.819 1.727 20 30 CDEDLO C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)Nc1ncccc1C#N ZINC001099713260 936802658 /nfs/dbraw/zinc/80/26/58/936802658.db2.gz MDVKGXNKQNAROE-LLVKDONJSA-N 1 2 298.350 1.226 20 30 CDEDLO N#Cc1c(N)sc(C[NH+]2CC(CO)C2)c1Cl ZINC001141112225 936813634 /nfs/dbraw/zinc/81/36/34/936813634.db2.gz UOLFZUKOLDHEPA-UHFFFAOYSA-N 1 2 257.746 1.279 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2nc(Cl)ncc2C)CC1 ZINC001193240330 923561483 /nfs/dbraw/zinc/56/14/83/923561483.db2.gz HUZJHVTYPMNMAU-UHFFFAOYSA-N 1 2 280.759 1.382 20 30 CDEDLO N#CC1CN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1 ZINC001141516454 936888255 /nfs/dbraw/zinc/88/82/55/936888255.db2.gz KZWOIHIFAYLOBI-UHFFFAOYSA-N 1 2 268.276 1.173 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C(C)C)oc2C)[C@@H](O)C1 ZINC001083907133 924073039 /nfs/dbraw/zinc/07/30/39/924073039.db2.gz FKFUGFVDIDVAHM-KGLIPLIRSA-N 1 2 290.363 1.120 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(C)C)oc2C)[C@@H](O)C1 ZINC001083907133 924073054 /nfs/dbraw/zinc/07/30/54/924073054.db2.gz FKFUGFVDIDVAHM-KGLIPLIRSA-N 1 2 290.363 1.120 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC001194340767 924190559 /nfs/dbraw/zinc/19/05/59/924190559.db2.gz XVLWJRKEUWBMEE-NWDGAFQWSA-N 1 2 254.330 1.152 20 30 CDEDLO N#CCSCC(=O)N1CCC[N@@H+](C/C=C\Cl)CC1 ZINC001194918893 924392680 /nfs/dbraw/zinc/39/26/80/924392680.db2.gz DYFFIHGFIPCIAA-IWQZZHSRSA-N 1 2 287.816 1.530 20 30 CDEDLO N#CCSCC(=O)N1CCC[N@H+](C/C=C\Cl)CC1 ZINC001194918893 924392688 /nfs/dbraw/zinc/39/26/88/924392688.db2.gz DYFFIHGFIPCIAA-IWQZZHSRSA-N 1 2 287.816 1.530 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Oc2ccccc2OC)CC1 ZINC001195251204 924510734 /nfs/dbraw/zinc/51/07/34/924510734.db2.gz ZVLIFWDEAKEAGI-UHFFFAOYSA-N 1 2 276.336 1.998 20 30 CDEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001195306717 924540394 /nfs/dbraw/zinc/54/03/94/924540394.db2.gz DPIFRUHLGSGPRO-TXKQXAOOSA-N 1 2 298.814 1.484 20 30 CDEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001195306717 924540401 /nfs/dbraw/zinc/54/04/01/924540401.db2.gz DPIFRUHLGSGPRO-TXKQXAOOSA-N 1 2 298.814 1.484 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001195554433 924639465 /nfs/dbraw/zinc/63/94/65/924639465.db2.gz IHUBJVNMDSIDPB-CRVKJFQUSA-N 1 2 286.803 1.503 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001195554433 924639467 /nfs/dbraw/zinc/63/94/67/924639467.db2.gz IHUBJVNMDSIDPB-CRVKJFQUSA-N 1 2 286.803 1.503 20 30 CDEDLO CC(C)C#CC(=O)N1CCC[N@H+](Cc2cncs2)CC1 ZINC001195780886 924728100 /nfs/dbraw/zinc/72/81/00/924728100.db2.gz MVEIHZREVORDER-UHFFFAOYSA-N 1 2 291.420 1.837 20 30 CDEDLO CC(C)C#CC(=O)N1CCC[N@@H+](Cc2cncs2)CC1 ZINC001195780886 924728105 /nfs/dbraw/zinc/72/81/05/924728105.db2.gz MVEIHZREVORDER-UHFFFAOYSA-N 1 2 291.420 1.837 20 30 CDEDLO C#CCC1(C(=O)N2CCC[N@@H+](CCF)CC2)CCOCC1 ZINC001196107026 924813617 /nfs/dbraw/zinc/81/36/17/924813617.db2.gz FSUFETYQPBQXIF-UHFFFAOYSA-N 1 2 296.386 1.310 20 30 CDEDLO C#CCC1(C(=O)N2CCC[N@H+](CCF)CC2)CCOCC1 ZINC001196107026 924813621 /nfs/dbraw/zinc/81/36/21/924813621.db2.gz FSUFETYQPBQXIF-UHFFFAOYSA-N 1 2 296.386 1.310 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)CC2CCCC2)C1 ZINC001196588647 924944734 /nfs/dbraw/zinc/94/47/34/924944734.db2.gz CJQQLEQXDVJAIX-BZUAXINKSA-N 1 2 292.423 1.387 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)CC2CCCC2)C1 ZINC001196588647 924944741 /nfs/dbraw/zinc/94/47/41/924944741.db2.gz CJQQLEQXDVJAIX-BZUAXINKSA-N 1 2 292.423 1.387 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)CCC=C3)[C@@H](O)C1 ZINC001083962092 925124447 /nfs/dbraw/zinc/12/44/47/925124447.db2.gz VDTSKTLWPPZIEL-SJORKVTESA-N 1 2 296.370 1.054 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)CCC=C3)[C@@H](O)C1 ZINC001083962092 925124452 /nfs/dbraw/zinc/12/44/52/925124452.db2.gz VDTSKTLWPPZIEL-SJORKVTESA-N 1 2 296.370 1.054 20 30 CDEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](CCF)C[C@H]32)[nH]1 ZINC001084288465 925203389 /nfs/dbraw/zinc/20/33/89/925203389.db2.gz VHBSXBQIWDBJMD-ZWNOBZJWSA-N 1 2 276.315 1.002 20 30 CDEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](CCF)C[C@H]32)[nH]1 ZINC001084288465 925203394 /nfs/dbraw/zinc/20/33/94/925203394.db2.gz VHBSXBQIWDBJMD-ZWNOBZJWSA-N 1 2 276.315 1.002 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ocnc3CC)[C@@H]2C1 ZINC001084647967 925323555 /nfs/dbraw/zinc/32/35/55/925323555.db2.gz OAAWIPRLBPEYKM-DGCLKSJQSA-N 1 2 273.336 1.017 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ocnc3CC)[C@@H]2C1 ZINC001084647967 925323565 /nfs/dbraw/zinc/32/35/65/925323565.db2.gz OAAWIPRLBPEYKM-DGCLKSJQSA-N 1 2 273.336 1.017 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(Cl)[nH]2)C1 ZINC001108197423 925770785 /nfs/dbraw/zinc/77/07/85/925770785.db2.gz PFBAHKQZYNYFDP-CQSZACIVSA-N 1 2 297.786 1.675 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(Cl)[nH]2)C1 ZINC001108197423 925770791 /nfs/dbraw/zinc/77/07/91/925770791.db2.gz PFBAHKQZYNYFDP-CQSZACIVSA-N 1 2 297.786 1.675 20 30 CDEDLO O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001110539114 925794011 /nfs/dbraw/zinc/79/40/11/925794011.db2.gz FQVDSDGVYUSBHJ-UPJWGTAASA-N 1 2 250.317 1.091 20 30 CDEDLO O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001110539114 925794022 /nfs/dbraw/zinc/79/40/22/925794022.db2.gz FQVDSDGVYUSBHJ-UPJWGTAASA-N 1 2 250.317 1.091 20 30 CDEDLO C=CCN1C[C@@]2(F)C[N@@H+](CC(C)(C)OC)C[C@@]2(F)C1=O ZINC001273808488 925973297 /nfs/dbraw/zinc/97/32/97/925973297.db2.gz KGKVUVOVINSNEJ-UONOGXRCSA-N 1 2 288.338 1.172 20 30 CDEDLO C=CCN1C[C@@]2(F)C[N@H+](CC(C)(C)OC)C[C@@]2(F)C1=O ZINC001273808488 925973305 /nfs/dbraw/zinc/97/33/05/925973305.db2.gz KGKVUVOVINSNEJ-UONOGXRCSA-N 1 2 288.338 1.172 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)noc1C ZINC001085482011 926043612 /nfs/dbraw/zinc/04/36/12/926043612.db2.gz UVKCTXMHSGIGAK-GFCCVEGCSA-N 1 2 261.325 1.071 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)noc1C ZINC001085482011 926043619 /nfs/dbraw/zinc/04/36/19/926043619.db2.gz UVKCTXMHSGIGAK-GFCCVEGCSA-N 1 2 261.325 1.071 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@@H+](CC(F)F)CC2)C1=O ZINC001273845592 926100458 /nfs/dbraw/zinc/10/04/58/926100458.db2.gz YSCIMSUODRRNJB-CQSZACIVSA-N 1 2 270.323 1.589 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@H+](CC(F)F)CC2)C1=O ZINC001273845592 926100462 /nfs/dbraw/zinc/10/04/62/926100462.db2.gz YSCIMSUODRRNJB-CQSZACIVSA-N 1 2 270.323 1.589 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ncoc1CC ZINC001085522238 926113530 /nfs/dbraw/zinc/11/35/30/926113530.db2.gz IEWKPBUZHJKPFN-LLVKDONJSA-N 1 2 261.325 1.017 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncoc1CC ZINC001085522238 926113531 /nfs/dbraw/zinc/11/35/31/926113531.db2.gz IEWKPBUZHJKPFN-LLVKDONJSA-N 1 2 261.325 1.017 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1oc(C)nc1C ZINC001085530065 926119816 /nfs/dbraw/zinc/11/98/16/926119816.db2.gz OWSNPBXFEPSDFD-ZDUSSCGKSA-N 1 2 275.352 1.461 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1oc(C)nc1C ZINC001085530065 926119821 /nfs/dbraw/zinc/11/98/21/926119821.db2.gz OWSNPBXFEPSDFD-ZDUSSCGKSA-N 1 2 275.352 1.461 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ncccc1CC ZINC001085682235 926277146 /nfs/dbraw/zinc/27/71/46/926277146.db2.gz PPAFVBLOFAOHKY-AWEZNQCLSA-N 1 2 271.364 1.424 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncccc1CC ZINC001085682235 926277152 /nfs/dbraw/zinc/27/71/52/926277152.db2.gz PPAFVBLOFAOHKY-AWEZNQCLSA-N 1 2 271.364 1.424 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OCC)no1 ZINC001085726699 926329957 /nfs/dbraw/zinc/32/99/57/926329957.db2.gz FWXDNRLBOSBKTL-GFCCVEGCSA-N 1 2 291.351 1.243 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OCC)no1 ZINC001085726699 926329963 /nfs/dbraw/zinc/32/99/63/926329963.db2.gz FWXDNRLBOSBKTL-GFCCVEGCSA-N 1 2 291.351 1.243 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc2c[nH]nc21 ZINC001085757503 926367245 /nfs/dbraw/zinc/36/72/45/926367245.db2.gz ISWMBVAAYPCBAD-ZDUSSCGKSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc2c[nH]nc21 ZINC001085757503 926367249 /nfs/dbraw/zinc/36/72/49/926367249.db2.gz ISWMBVAAYPCBAD-ZDUSSCGKSA-N 1 2 282.347 1.342 20 30 CDEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2[C@H](C)C(N)=O)CC1 ZINC001085800838 926411850 /nfs/dbraw/zinc/41/18/50/926411850.db2.gz CSIYGNFCZPCINL-OCCSQVGLSA-N 1 2 293.411 1.139 20 30 CDEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2[C@H](C)C(N)=O)CC1 ZINC001085800838 926411855 /nfs/dbraw/zinc/41/18/55/926411855.db2.gz CSIYGNFCZPCINL-OCCSQVGLSA-N 1 2 293.411 1.139 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn2cc(C)nc2c1 ZINC001085818272 926426702 /nfs/dbraw/zinc/42/67/02/926426702.db2.gz WIUJZGZIKFXZRV-HNNXBMFYSA-N 1 2 296.374 1.422 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn2cc(C)nc2c1 ZINC001085818272 926426707 /nfs/dbraw/zinc/42/67/07/926426707.db2.gz WIUJZGZIKFXZRV-HNNXBMFYSA-N 1 2 296.374 1.422 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccncc1Cl ZINC001085838273 926436252 /nfs/dbraw/zinc/43/62/52/926436252.db2.gz DVVYHCMLAGLELX-LBPRGKRZSA-N 1 2 291.782 1.905 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccncc1Cl ZINC001085838273 926436254 /nfs/dbraw/zinc/43/62/54/926436254.db2.gz DVVYHCMLAGLELX-LBPRGKRZSA-N 1 2 291.782 1.905 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncccc1Cl ZINC001085936905 926524305 /nfs/dbraw/zinc/52/43/05/926524305.db2.gz QFEOBRQGNWZJEF-LBPRGKRZSA-N 1 2 291.782 1.905 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ncccc1Cl ZINC001085936905 926524310 /nfs/dbraw/zinc/52/43/10/926524310.db2.gz QFEOBRQGNWZJEF-LBPRGKRZSA-N 1 2 291.782 1.905 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1C1CC1 ZINC001086000406 926585254 /nfs/dbraw/zinc/58/52/54/926585254.db2.gz IJDAJSQYDQMVGH-CYBMUJFWSA-N 1 2 286.379 1.077 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1C1CC1 ZINC001086000406 926585259 /nfs/dbraw/zinc/58/52/59/926585259.db2.gz IJDAJSQYDQMVGH-CYBMUJFWSA-N 1 2 286.379 1.077 20 30 CDEDLO Cc1nc(NC[C@](C)(NC(=O)[C@H](C)C#N)C2CC2)cc[nH+]1 ZINC001103492599 937144561 /nfs/dbraw/zinc/14/45/61/937144561.db2.gz BRVRYXXRELUMQN-BMIGLBTASA-N 1 2 287.367 1.642 20 30 CDEDLO C=CCCC(=O)NCCOCCN(C)c1cc[nH+]c(C)n1 ZINC001115183409 927793873 /nfs/dbraw/zinc/79/38/73/927793873.db2.gz LIJLOTRQBJZRFZ-UHFFFAOYSA-N 1 2 292.383 1.320 20 30 CDEDLO Cn1cc(C[N@H+](C)CCCOc2ccc(C#N)cc2)nn1 ZINC000852553838 927812542 /nfs/dbraw/zinc/81/25/42/927812542.db2.gz ZPFPNKOXRYKVCK-UHFFFAOYSA-N 1 2 285.351 1.588 20 30 CDEDLO Cn1cc(C[N@@H+](C)CCCOc2ccc(C#N)cc2)nn1 ZINC000852553838 927812552 /nfs/dbraw/zinc/81/25/52/927812552.db2.gz ZPFPNKOXRYKVCK-UHFFFAOYSA-N 1 2 285.351 1.588 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccon1)C2 ZINC001111667224 937217316 /nfs/dbraw/zinc/21/73/16/937217316.db2.gz XOWJJXCREPYSJE-XUJVJEKNSA-N 1 2 288.351 1.305 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccon1)C2 ZINC001111667224 937217319 /nfs/dbraw/zinc/21/73/19/937217319.db2.gz XOWJJXCREPYSJE-XUJVJEKNSA-N 1 2 288.351 1.305 20 30 CDEDLO C#CCCCCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000853852808 928110284 /nfs/dbraw/zinc/11/02/84/928110284.db2.gz OVPLWVWPCDZMPN-KBPBESRZSA-N 1 2 281.400 1.198 20 30 CDEDLO C#CCCCCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000853852808 928110288 /nfs/dbraw/zinc/11/02/88/928110288.db2.gz OVPLWVWPCDZMPN-KBPBESRZSA-N 1 2 281.400 1.198 20 30 CDEDLO C#C[C@@](C)(CC)Nc1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC001169698890 928350144 /nfs/dbraw/zinc/35/01/44/928350144.db2.gz ZLWXVLPUHLIAIL-ZDUSSCGKSA-N 1 2 257.297 1.271 20 30 CDEDLO C=CCOC[C@H](O)CNc1ccc[nH+]c1N1CCCC1 ZINC001252455218 928437258 /nfs/dbraw/zinc/43/72/58/928437258.db2.gz YBFBINJRYSHDFJ-CYBMUJFWSA-N 1 2 277.368 1.657 20 30 CDEDLO CC[C@](C)(C#N)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC001169860808 928483405 /nfs/dbraw/zinc/48/34/05/928483405.db2.gz DSMAWBNDPPIFDX-HTAVTVPLSA-N 1 2 258.387 1.624 20 30 CDEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)COC ZINC001151420317 937283762 /nfs/dbraw/zinc/28/37/62/937283762.db2.gz LHYTZPAIBYMVLD-SNVBAGLBSA-N 1 2 293.205 1.368 20 30 CDEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)COC ZINC001151420317 937283764 /nfs/dbraw/zinc/28/37/64/937283764.db2.gz LHYTZPAIBYMVLD-SNVBAGLBSA-N 1 2 293.205 1.368 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccoc2)CC1 ZINC001112610042 929251614 /nfs/dbraw/zinc/25/16/14/929251614.db2.gz JOZPLRLFDGFBDM-UHFFFAOYSA-N 1 2 264.325 1.240 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H](CC)O2)CC1 ZINC001112902304 929547663 /nfs/dbraw/zinc/54/76/63/929547663.db2.gz KPUDCSXWRZHOCJ-CABCVRRESA-N 1 2 296.411 1.291 20 30 CDEDLO C=CCOCC(=O)N[C@@H](C)[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001112922309 929572496 /nfs/dbraw/zinc/57/24/96/929572496.db2.gz YLZIOHJOLLBWEC-QWRGUYRKSA-N 1 2 278.356 1.293 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nonc3C)C[C@H]21 ZINC001114349245 929625633 /nfs/dbraw/zinc/62/56/33/929625633.db2.gz VSOWQHGYRDNYJT-JYAVWHMHSA-N 1 2 290.367 1.281 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nonc3C)C[C@H]21 ZINC001114349245 929625641 /nfs/dbraw/zinc/62/56/41/929625641.db2.gz VSOWQHGYRDNYJT-JYAVWHMHSA-N 1 2 290.367 1.281 20 30 CDEDLO C#CC[N@@H+](CC)[C@H](C)CNC(=O)c1[nH]nc(C)c1C ZINC001152561658 937371215 /nfs/dbraw/zinc/37/12/15/937371215.db2.gz PNAMTITXZWGMOP-SNVBAGLBSA-N 1 2 262.357 1.100 20 30 CDEDLO C#CC[N@H+](CC)[C@H](C)CNC(=O)c1[nH]nc(C)c1C ZINC001152561658 937371218 /nfs/dbraw/zinc/37/12/18/937371218.db2.gz PNAMTITXZWGMOP-SNVBAGLBSA-N 1 2 262.357 1.100 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C)CC(=C)C2)[C@H](O)C1 ZINC001090553479 931091155 /nfs/dbraw/zinc/09/11/55/931091155.db2.gz MYKXIGNQPKRACY-CHWSQXEVSA-N 1 2 298.814 1.647 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CC(=C)C2)[C@H](O)C1 ZINC001090553479 931091162 /nfs/dbraw/zinc/09/11/62/931091162.db2.gz MYKXIGNQPKRACY-CHWSQXEVSA-N 1 2 298.814 1.647 20 30 CDEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](CC(=O)OC(C)C)CC2 ZINC001274061453 931151888 /nfs/dbraw/zinc/15/18/88/931151888.db2.gz INQBAWFDKGJPHH-ZDUSSCGKSA-N 1 2 294.395 1.342 20 30 CDEDLO N#Cc1cncc(C[N@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)c1 ZINC001144085207 931653546 /nfs/dbraw/zinc/65/35/46/931653546.db2.gz XHRHKVILPOHPKH-MRXNPFEDSA-N 1 2 298.390 1.834 20 30 CDEDLO N#Cc1cncc(C[N@@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)c1 ZINC001144085207 931653547 /nfs/dbraw/zinc/65/35/47/931653547.db2.gz XHRHKVILPOHPKH-MRXNPFEDSA-N 1 2 298.390 1.834 20 30 CDEDLO C[N@@H+]1CCC12CN(C(=O)c1ccc(C#N)c(F)c1)C2 ZINC001275095616 931660050 /nfs/dbraw/zinc/66/00/50/931660050.db2.gz GRTIWCMKPSNBBG-UHFFFAOYSA-N 1 2 259.284 1.227 20 30 CDEDLO C[N@H+]1CCC12CN(C(=O)c1ccc(C#N)c(F)c1)C2 ZINC001275095616 931660052 /nfs/dbraw/zinc/66/00/52/931660052.db2.gz GRTIWCMKPSNBBG-UHFFFAOYSA-N 1 2 259.284 1.227 20 30 CDEDLO N#Cc1ccc(CN2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)s1 ZINC001275589717 931897240 /nfs/dbraw/zinc/89/72/40/931897240.db2.gz YJFAGVZSHISRSD-UHFFFAOYSA-N 1 2 299.403 1.661 20 30 CDEDLO N#Cc1ccc(C[NH+]2CC3(CN(Cc4cn[nH]c4)C3)C2)s1 ZINC001275589717 931897247 /nfs/dbraw/zinc/89/72/47/931897247.db2.gz YJFAGVZSHISRSD-UHFFFAOYSA-N 1 2 299.403 1.661 20 30 CDEDLO Cn1cc(C[NH+]2CC3(CN(Cc4cnco4)C3)C2)cc1C#N ZINC001276158891 932579557 /nfs/dbraw/zinc/57/95/57/932579557.db2.gz XDOHKXRNSUTRED-UHFFFAOYSA-N 1 2 297.362 1.203 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccns1)C2 ZINC001095485870 932589290 /nfs/dbraw/zinc/58/92/90/932589290.db2.gz TVUPSKADYVAKOA-VWYCJHECSA-N 1 2 261.350 1.111 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccns1)C2 ZINC001095485870 932589291 /nfs/dbraw/zinc/58/92/91/932589291.db2.gz TVUPSKADYVAKOA-VWYCJHECSA-N 1 2 261.350 1.111 20 30 CDEDLO C=CCC[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092050526 932913150 /nfs/dbraw/zinc/91/31/50/932913150.db2.gz WKWZVFDEQINEHO-CJNGLKHVSA-N 1 2 288.395 1.309 20 30 CDEDLO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092050526 932913155 /nfs/dbraw/zinc/91/31/55/932913155.db2.gz WKWZVFDEQINEHO-CJNGLKHVSA-N 1 2 288.395 1.309 20 30 CDEDLO Cc1nc(NC[C@@H]2C[N@H+](C)CCO2)c(C#N)c(C)c1Cl ZINC001155195011 937647461 /nfs/dbraw/zinc/64/74/61/937647461.db2.gz YDJFXLYDGVQQES-LLVKDONJSA-N 1 2 294.786 1.966 20 30 CDEDLO Cc1nc(NC[C@@H]2C[N@@H+](C)CCO2)c(C#N)c(C)c1Cl ZINC001155195011 937647463 /nfs/dbraw/zinc/64/74/63/937647463.db2.gz YDJFXLYDGVQQES-LLVKDONJSA-N 1 2 294.786 1.966 20 30 CDEDLO C=CCOCC(=O)NCCC[NH2+]CC(F)(F)C(F)F ZINC001155713031 937667826 /nfs/dbraw/zinc/66/78/26/937667826.db2.gz ZQJVTKFBXBZWGJ-UHFFFAOYSA-N 1 2 286.269 1.185 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC2OCCCO2)C1 ZINC001010734614 935467994 /nfs/dbraw/zinc/46/79/94/935467994.db2.gz GUKRDXFRULHSJH-LLVKDONJSA-N 1 2 288.775 1.083 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC2OCCCO2)C1 ZINC001010734614 935467998 /nfs/dbraw/zinc/46/79/98/935467998.db2.gz GUKRDXFRULHSJH-LLVKDONJSA-N 1 2 288.775 1.083 20 30 CDEDLO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238199603 945128598 /nfs/dbraw/zinc/12/85/98/945128598.db2.gz WBGQPLUBJOWGHV-CYBMUJFWSA-N 1 2 277.755 1.922 20 30 CDEDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238199603 945128604 /nfs/dbraw/zinc/12/86/04/945128604.db2.gz WBGQPLUBJOWGHV-CYBMUJFWSA-N 1 2 277.755 1.922 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncc[nH]1)C2 ZINC001097048242 936262655 /nfs/dbraw/zinc/26/26/55/936262655.db2.gz AOLAVQHXODAVQX-MXWKQRLJSA-N 1 2 280.759 1.497 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncc[nH]1)C2 ZINC001097048242 936262659 /nfs/dbraw/zinc/26/26/59/936262659.db2.gz AOLAVQHXODAVQX-MXWKQRLJSA-N 1 2 280.759 1.497 20 30 CDEDLO Cc1cc(C(F)(F)N2CC[NH2+]C[C@@H]2C#N)nc(Cl)n1 ZINC001156320195 938351596 /nfs/dbraw/zinc/35/15/96/938351596.db2.gz UEGINIHGSNPGAI-QMMMGPOBSA-N 1 2 287.701 1.285 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1cc2nc(Cl)cnc2cc1F ZINC001156332306 938353274 /nfs/dbraw/zinc/35/32/74/938353274.db2.gz IRROXUBDRMQAFQ-QMMMGPOBSA-N 1 2 291.717 1.724 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1ncc(C)cc1C#N ZINC001157460201 938495479 /nfs/dbraw/zinc/49/54/79/938495479.db2.gz RWNJDZCQAZXWCH-UHFFFAOYSA-N 1 2 255.325 1.985 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2C[C@@]21C(=O)N1CC=CC1 ZINC001278239358 945197999 /nfs/dbraw/zinc/19/79/99/945197999.db2.gz NWTBDFSSLQTHBF-AEFFLSMTSA-N 1 2 293.370 1.921 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2C[C@@]21C(=O)N1CC=CC1 ZINC001278239358 945198002 /nfs/dbraw/zinc/19/80/02/945198002.db2.gz NWTBDFSSLQTHBF-AEFFLSMTSA-N 1 2 293.370 1.921 20 30 CDEDLO COC(=O)c1ccc(C(=[NH2+])Nc2ccc(N)cn2)cc1 ZINC001159847606 938756870 /nfs/dbraw/zinc/75/68/70/938756870.db2.gz BUIXGMSJAITYNH-UHFFFAOYSA-N 1 2 270.292 1.487 20 30 CDEDLO CC(C)C[C@H](C(=O)NCCCNCC#N)n1cc[nH+]c1 ZINC001160521915 938794794 /nfs/dbraw/zinc/79/47/94/938794794.db2.gz PWWJRASWZGBZRD-CYBMUJFWSA-N 1 2 277.372 1.090 20 30 CDEDLO COC(=O)N1CCN(c2[nH+]ccc3[nH]cc(C#N)c32)CC1 ZINC001163683609 939308179 /nfs/dbraw/zinc/30/81/79/939308179.db2.gz NRRMOKPYDUAWCV-UHFFFAOYSA-N 1 2 285.307 1.323 20 30 CDEDLO CCCN(CCC)c1cc(N2CC[NH2+]C[C@H]2C#N)ncn1 ZINC001164652911 939502548 /nfs/dbraw/zinc/50/25/48/939502548.db2.gz VCLUTZWNLWTILT-CYBMUJFWSA-N 1 2 288.399 1.405 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001165921352 939585404 /nfs/dbraw/zinc/58/54/04/939585404.db2.gz IVYUVJBGPHLJHO-OAHLLOKOSA-N 1 2 294.399 1.830 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(N3CCN4C(=O)OC[C@H]4C3)c2c1 ZINC001166928244 939650645 /nfs/dbraw/zinc/65/06/45/939650645.db2.gz XDKPTIGTXUBPKY-CYBMUJFWSA-N 1 2 294.314 1.747 20 30 CDEDLO Cc1ccc(CC#N)c(N2CCC(=O)C(F)(F)C2)[nH+]1 ZINC001166976007 939665131 /nfs/dbraw/zinc/66/51/31/939665131.db2.gz YRTYGLVDXXNMRX-UHFFFAOYSA-N 1 2 265.263 1.871 20 30 CDEDLO C=CC[NH+]1CCN(Cc2cccc(OC)c2O)CC1 ZINC001203595930 939695270 /nfs/dbraw/zinc/69/52/70/939695270.db2.gz RXAIXLIEORVNEB-UHFFFAOYSA-N 1 2 262.353 1.704 20 30 CDEDLO O=C1C=C2C[N@@H+](C[C@@H]3CCCOC3)CC[C@H]2S1 ZINC001207465502 940201910 /nfs/dbraw/zinc/20/19/10/940201910.db2.gz XDDUXUVSWLHQFP-CMPLNLGQSA-N 1 2 253.367 1.687 20 30 CDEDLO O=C1C=C2C[N@H+](C[C@@H]3CCCOC3)CC[C@H]2S1 ZINC001207465502 940201913 /nfs/dbraw/zinc/20/19/13/940201913.db2.gz XDDUXUVSWLHQFP-CMPLNLGQSA-N 1 2 253.367 1.687 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(C(=O)OC)cc2F)CC1 ZINC000089946158 940390170 /nfs/dbraw/zinc/39/01/70/940390170.db2.gz DOGIAZHZLRVXKN-UHFFFAOYSA-N 1 2 290.338 1.363 20 30 CDEDLO C=CCCCC(=O)N1CCC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001209335521 940462627 /nfs/dbraw/zinc/46/26/27/940462627.db2.gz NBQMCHFDGSPWKX-GFCCVEGCSA-N 1 2 294.424 1.975 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CCOC)C1 ZINC001211163086 940736715 /nfs/dbraw/zinc/73/67/15/940736715.db2.gz DJZDHBJGYWFRLJ-NQBHXWOUSA-N 1 2 288.819 1.848 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CCOC)C1 ZINC001211163086 940736716 /nfs/dbraw/zinc/73/67/16/940736716.db2.gz DJZDHBJGYWFRLJ-NQBHXWOUSA-N 1 2 288.819 1.848 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCNc3ccccc32)CC1 ZINC000167428024 940746018 /nfs/dbraw/zinc/74/60/18/940746018.db2.gz KBDKKACNXJECLO-OAHLLOKOSA-N 1 2 285.391 1.916 20 30 CDEDLO C#CCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnsn2)C1 ZINC001214527058 940827200 /nfs/dbraw/zinc/82/72/00/940827200.db2.gz GCZGCVUCIWHCFT-DGCLKSJQSA-N 1 2 292.408 1.278 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)CC(C)C)[C@H]2C1 ZINC001218942136 941291503 /nfs/dbraw/zinc/29/15/03/941291503.db2.gz MCWVLAWHYFIBSD-HRCADAONSA-N 1 2 292.423 1.604 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)CC(C)C)[C@H]2C1 ZINC001218942136 941291505 /nfs/dbraw/zinc/29/15/05/941291505.db2.gz MCWVLAWHYFIBSD-HRCADAONSA-N 1 2 292.423 1.604 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001220198056 941423398 /nfs/dbraw/zinc/42/33/98/941423398.db2.gz CLYUVTIQEAQXBJ-OBEQCATISA-N 1 2 286.803 1.503 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001220198056 941423399 /nfs/dbraw/zinc/42/33/99/941423399.db2.gz CLYUVTIQEAQXBJ-OBEQCATISA-N 1 2 286.803 1.503 20 30 CDEDLO C=C1O[C@H](C)C(=O)C1Oc1cccnc1C[NH+](C)C ZINC001225278470 941837185 /nfs/dbraw/zinc/83/71/85/941837185.db2.gz OCTYXTYDVROFEW-SECBINFHSA-N 1 2 262.309 1.741 20 30 CDEDLO Cc1ccc([N+](=O)[O-])c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001225682301 941899229 /nfs/dbraw/zinc/89/92/29/941899229.db2.gz KDNLIUVGSBCBQM-HJTUNCCVSA-N 1 2 290.319 1.894 20 30 CDEDLO Cc1ccc([N+](=O)[O-])c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001225682301 941899231 /nfs/dbraw/zinc/89/92/31/941899231.db2.gz KDNLIUVGSBCBQM-HJTUNCCVSA-N 1 2 290.319 1.894 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2nccc(=O)[nH]2)C1 ZINC001226327459 941987295 /nfs/dbraw/zinc/98/72/95/941987295.db2.gz YBDFNPFFPBLFKY-AWEZNQCLSA-N 1 2 296.330 1.707 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2nccc(=O)[nH]2)C1 ZINC001226327459 941987296 /nfs/dbraw/zinc/98/72/96/941987296.db2.gz YBDFNPFFPBLFKY-AWEZNQCLSA-N 1 2 296.330 1.707 20 30 CDEDLO CC(C)c1ccc(C#N)c(OC[C@H]2C[N@H+](C)CCO2)n1 ZINC001226354162 941992408 /nfs/dbraw/zinc/99/24/08/941992408.db2.gz PCLHZZKCMWXBJX-CYBMUJFWSA-N 1 2 275.352 1.786 20 30 CDEDLO CC(C)c1ccc(C#N)c(OC[C@H]2C[N@@H+](C)CCO2)n1 ZINC001226354162 941992412 /nfs/dbraw/zinc/99/24/12/941992412.db2.gz PCLHZZKCMWXBJX-CYBMUJFWSA-N 1 2 275.352 1.786 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@H](Oc3nc4ccc(C#N)cc4[nH]3)[C@H]1CC(=O)C2 ZINC001227216395 942151044 /nfs/dbraw/zinc/15/10/44/942151044.db2.gz QZEIIJMUAWGWCJ-VQISRLSMSA-N 1 2 296.330 1.618 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@H](Oc3nc4ccc(C#N)cc4[nH]3)[C@H]1CC(=O)C2 ZINC001227216395 942151045 /nfs/dbraw/zinc/15/10/45/942151045.db2.gz QZEIIJMUAWGWCJ-VQISRLSMSA-N 1 2 296.330 1.618 20 30 CDEDLO CC(C)[NH+]1CC(Oc2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC001229524116 942489195 /nfs/dbraw/zinc/48/91/95/942489195.db2.gz FIBVWZQYWAAQNU-UHFFFAOYSA-N 1 2 261.281 1.938 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccco1 ZINC001230587318 942650266 /nfs/dbraw/zinc/65/02/66/942650266.db2.gz DDQACSPNVMFACX-CYBMUJFWSA-N 1 2 276.336 1.076 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccco1 ZINC001230587318 942650269 /nfs/dbraw/zinc/65/02/69/942650269.db2.gz DDQACSPNVMFACX-CYBMUJFWSA-N 1 2 276.336 1.076 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(C)ncn1 ZINC001231170758 942807759 /nfs/dbraw/zinc/80/77/59/942807759.db2.gz UHTAFNPYQGGWLZ-OAHLLOKOSA-N 1 2 288.395 1.784 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(C)ncn1 ZINC001231170758 942807766 /nfs/dbraw/zinc/80/77/66/942807766.db2.gz UHTAFNPYQGGWLZ-OAHLLOKOSA-N 1 2 288.395 1.784 20 30 CDEDLO C=CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C)[nH]1 ZINC001231209740 942820125 /nfs/dbraw/zinc/82/01/25/942820125.db2.gz XZGZUYSLVWXWLO-ZDUSSCGKSA-N 1 2 292.383 1.067 20 30 CDEDLO C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C)[nH]1 ZINC001231209740 942820128 /nfs/dbraw/zinc/82/01/28/942820128.db2.gz XZGZUYSLVWXWLO-ZDUSSCGKSA-N 1 2 292.383 1.067 20 30 CDEDLO CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)n1 ZINC001232924673 943434884 /nfs/dbraw/zinc/43/48/84/943434884.db2.gz SEMQIBDGEFADKY-HNNXBMFYSA-N 1 2 286.379 1.834 20 30 CDEDLO CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)n1 ZINC001232924673 943434886 /nfs/dbraw/zinc/43/48/86/943434886.db2.gz SEMQIBDGEFADKY-HNNXBMFYSA-N 1 2 286.379 1.834 20 30 CDEDLO N#Cc1cc[nH]c1C[N@H+]1CCC[C@]2(CCCC(=O)N2)C1 ZINC001233044397 943473052 /nfs/dbraw/zinc/47/30/52/943473052.db2.gz JZLDSGZCYQBRAB-OAHLLOKOSA-N 1 2 272.352 1.521 20 30 CDEDLO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@]2(CCCC(=O)N2)C1 ZINC001233044397 943473055 /nfs/dbraw/zinc/47/30/55/943473055.db2.gz JZLDSGZCYQBRAB-OAHLLOKOSA-N 1 2 272.352 1.521 20 30 CDEDLO Cc1noc([C@@H]2CC[N@H+](Cc3[nH]ccc3C#N)C2)n1 ZINC001233047655 943474976 /nfs/dbraw/zinc/47/49/76/943474976.db2.gz HKKDUEKOPYMLGK-LLVKDONJSA-N 1 2 257.297 1.567 20 30 CDEDLO Cc1noc([C@@H]2CC[N@@H+](Cc3[nH]ccc3C#N)C2)n1 ZINC001233047655 943474979 /nfs/dbraw/zinc/47/49/79/943474979.db2.gz HKKDUEKOPYMLGK-LLVKDONJSA-N 1 2 257.297 1.567 20 30 CDEDLO N#Cc1cc[nH]c1C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC001233048078 943476188 /nfs/dbraw/zinc/47/61/88/943476188.db2.gz UUPZCZQSOHQBCA-UHFFFAOYSA-N 1 2 286.379 1.863 20 30 CDEDLO CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C#N)cc3[O-])C[C@H]2C1 ZINC001233388218 943572675 /nfs/dbraw/zinc/57/26/75/943572675.db2.gz QKZLVTKGZIFDLI-HUUCEWRRSA-N 1 2 271.364 1.647 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(F)=C(C)C ZINC001233655203 943634144 /nfs/dbraw/zinc/63/41/44/943634144.db2.gz WRKUQXLMPIMUCN-CYBMUJFWSA-N 1 2 282.359 1.432 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(F)=C(C)C ZINC001233655203 943634146 /nfs/dbraw/zinc/63/41/46/943634146.db2.gz WRKUQXLMPIMUCN-CYBMUJFWSA-N 1 2 282.359 1.432 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1ccoc1 ZINC001233874688 943678534 /nfs/dbraw/zinc/67/85/34/943678534.db2.gz YRIFFEQLFZKFGL-HNNXBMFYSA-N 1 2 290.363 1.005 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)Cc1ccoc1 ZINC001233874688 943678535 /nfs/dbraw/zinc/67/85/35/943678535.db2.gz YRIFFEQLFZKFGL-HNNXBMFYSA-N 1 2 290.363 1.005 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001263726962 943952960 /nfs/dbraw/zinc/95/29/60/943952960.db2.gz YUKOAAYGXPUSOL-KBPBESRZSA-N 1 2 282.432 1.276 20 30 CDEDLO C=C(C)CN(CC)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001263778929 943972092 /nfs/dbraw/zinc/97/20/92/943972092.db2.gz UWHZOJKBJSSHGU-UONOGXRCSA-N 1 2 282.432 1.228 20 30 CDEDLO C=C(C)CN(CC)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001263778929 943972095 /nfs/dbraw/zinc/97/20/95/943972095.db2.gz UWHZOJKBJSSHGU-UONOGXRCSA-N 1 2 282.432 1.228 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCCC[N@H+](C)Cc1ccon1 ZINC001235231257 944100548 /nfs/dbraw/zinc/10/05/48/944100548.db2.gz WNXWDZPQPWBINO-CYBMUJFWSA-N 1 2 295.383 1.594 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCCC[N@@H+](C)Cc1ccon1 ZINC001235231257 944100551 /nfs/dbraw/zinc/10/05/51/944100551.db2.gz WNXWDZPQPWBINO-CYBMUJFWSA-N 1 2 295.383 1.594 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnccc2Br)CC1 ZINC001237391728 944746376 /nfs/dbraw/zinc/74/63/76/944746376.db2.gz DWXVUKKSHREYIW-UHFFFAOYSA-N 1 2 294.196 1.595 20 30 CDEDLO COC[C@H]1Cn2ccnc2C[N@H+](Cc2ccnc(C#N)c2)C1 ZINC001237462676 944796466 /nfs/dbraw/zinc/79/64/66/944796466.db2.gz ISYQUWVWBUYRBP-CQSZACIVSA-N 1 2 297.362 1.428 20 30 CDEDLO COC[C@H]1Cn2ccnc2C[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC001237462676 944796472 /nfs/dbraw/zinc/79/64/72/944796472.db2.gz ISYQUWVWBUYRBP-CQSZACIVSA-N 1 2 297.362 1.428 20 30 CDEDLO C=CCS(=O)(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001259921469 945704580 /nfs/dbraw/zinc/70/45/80/945704580.db2.gz WDVWFAIEXUPHIM-UHFFFAOYSA-N 1 2 263.322 1.800 20 30 CDEDLO Cn1nncc1N[NH+]=C1CCN(C)c2ccccc21 ZINC001261236783 946010209 /nfs/dbraw/zinc/01/02/09/946010209.db2.gz WLQPZDJIHYPAPA-UHFFFAOYSA-N 1 2 256.313 1.471 20 30 CDEDLO Cc1cc(N(C)C)[nH+]cc1-c1nccnc1CC#N ZINC001241229127 946197511 /nfs/dbraw/zinc/19/75/11/946197511.db2.gz XWTJJTQOJYUBSH-UHFFFAOYSA-N 1 2 253.309 1.979 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001262367969 946616658 /nfs/dbraw/zinc/61/66/58/946616658.db2.gz KWGOBGYYRDNUTH-STQMWFEESA-N 1 2 254.374 1.426 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001262367969 946616667 /nfs/dbraw/zinc/61/66/67/946616667.db2.gz KWGOBGYYRDNUTH-STQMWFEESA-N 1 2 254.374 1.426 20 30 CDEDLO N#Cc1ccnnc1Nc1cc[nH+]cc1C(F)(F)F ZINC001249586666 949684744 /nfs/dbraw/zinc/68/47/44/949684744.db2.gz UZFYVCCPMNPHGW-UHFFFAOYSA-N 1 2 265.198 1.928 20 30 CDEDLO C[C@@]1(O)COCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC001249681616 949754468 /nfs/dbraw/zinc/75/44/68/949754468.db2.gz YACRXRZWFAXRHL-AWEZNQCLSA-N 1 2 264.300 1.281 20 30 CDEDLO C[C@@]1(O)COCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC001249681616 949754484 /nfs/dbraw/zinc/75/44/84/949754484.db2.gz YACRXRZWFAXRHL-AWEZNQCLSA-N 1 2 264.300 1.281 20 30 CDEDLO C=C[C@](C)(O)CNc1cc(N2CCOCC2)cc(Cl)[nH+]1 ZINC001252545310 951432544 /nfs/dbraw/zinc/43/25/44/951432544.db2.gz HODYGGZWUQPBFX-AWEZNQCLSA-N 1 2 297.786 1.921 20 30 CDEDLO C=C[C@@](C)(O)C[N@H+]1CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC001252557040 951450323 /nfs/dbraw/zinc/45/03/23/951450323.db2.gz HDUAUCMSJOSTBU-BXUZGUMPSA-N 1 2 270.373 1.822 20 30 CDEDLO C=C[C@@](C)(O)C[N@@H+]1CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC001252557040 951450325 /nfs/dbraw/zinc/45/03/25/951450325.db2.gz HDUAUCMSJOSTBU-BXUZGUMPSA-N 1 2 270.373 1.822 20 30 CDEDLO C=C[C@@H](O)C[N@H+]1CC[C@H]1N(C)C(=O)OC(C)(C)C ZINC001253585864 951977443 /nfs/dbraw/zinc/97/74/43/951977443.db2.gz HDJIGJQWWJFYNB-MNOVXSKESA-N 1 2 256.346 1.432 20 30 CDEDLO C=C[C@@H](O)C[N@@H+]1CC[C@H]1N(C)C(=O)OC(C)(C)C ZINC001253585864 951977449 /nfs/dbraw/zinc/97/74/49/951977449.db2.gz HDJIGJQWWJFYNB-MNOVXSKESA-N 1 2 256.346 1.432 20 30 CDEDLO CC[N@H+](CCC#N)C[C@H](O)COc1cccc(OC)c1 ZINC001253953541 952159884 /nfs/dbraw/zinc/15/98/84/952159884.db2.gz RBQOWGFIHDBQQQ-ZDUSSCGKSA-N 1 2 278.352 1.670 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1cccc(OC)c1 ZINC001253953541 952159887 /nfs/dbraw/zinc/15/98/87/952159887.db2.gz 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/nfs/dbraw/zinc/78/20/61/955782061.db2.gz LCPGBQDTLKZHKS-UHFFFAOYSA-N 1 2 270.764 1.474 20 30 CDEDLO C=CCNC(=O)C[NH2+]Cc1nc2cc(F)ccc2o1 ZINC001308348279 956520718 /nfs/dbraw/zinc/52/07/18/956520718.db2.gz HJRONBFCDYKJLA-UHFFFAOYSA-N 1 2 263.272 1.359 20 30 CDEDLO CCOCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001367026358 957351579 /nfs/dbraw/zinc/35/15/79/957351579.db2.gz ZIFPSPLXZQHYCS-OAHLLOKOSA-N 1 2 287.363 1.285 20 30 CDEDLO CCOCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001367026358 957351590 /nfs/dbraw/zinc/35/15/90/957351590.db2.gz ZIFPSPLXZQHYCS-OAHLLOKOSA-N 1 2 287.363 1.285 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1n[nH]c2c1CCC2 ZINC001424971550 957429406 /nfs/dbraw/zinc/42/94/06/957429406.db2.gz HULMNLGQVWQGKC-SNVBAGLBSA-N 1 2 296.802 1.701 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1n[nH]c2c1CCC2 ZINC001424971550 957429409 /nfs/dbraw/zinc/42/94/09/957429409.db2.gz HULMNLGQVWQGKC-SNVBAGLBSA-N 1 2 296.802 1.701 20 30 CDEDLO C=C(C)CCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC001335959122 960122856 /nfs/dbraw/zinc/12/28/56/960122856.db2.gz CHZHQONRXWWDDA-AWEZNQCLSA-N 1 2 266.385 1.666 20 30 CDEDLO C#CC[N@H+](CC1CC1)CN1Cc2ccccc2C1=O ZINC001336069043 960186302 /nfs/dbraw/zinc/18/63/02/960186302.db2.gz WEKFYNQNLLSZQW-UHFFFAOYSA-N 1 2 254.333 1.945 20 30 CDEDLO C#CC[N@@H+](CC1CC1)CN1Cc2ccccc2C1=O ZINC001336069043 960186313 /nfs/dbraw/zinc/18/63/13/960186313.db2.gz WEKFYNQNLLSZQW-UHFFFAOYSA-N 1 2 254.333 1.945 20 30 CDEDLO CC[C@H](C(=O)N1CC[C@](F)(C#N)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001433907493 960754775 /nfs/dbraw/zinc/75/47/75/960754775.db2.gz STTXRHKIRAXXQQ-NFAWXSAZSA-N 1 2 297.374 1.340 20 30 CDEDLO CC[C@H](C(=O)N1CC[C@](F)(C#N)C1)[N@H+]1CCO[C@H](CC)C1 ZINC001433907493 960754788 /nfs/dbraw/zinc/75/47/88/960754788.db2.gz STTXRHKIRAXXQQ-NFAWXSAZSA-N 1 2 297.374 1.340 20 30 CDEDLO CC[C@@H](C(=O)NCC1(CC#N)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001433971021 960830961 /nfs/dbraw/zinc/83/09/61/960830961.db2.gz XDZUJHSGXVPIFB-KGLIPLIRSA-N 1 2 293.411 1.686 20 30 CDEDLO CC[C@@H](C(=O)NCC1(CC#N)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001433971021 960830987 /nfs/dbraw/zinc/83/09/87/960830987.db2.gz XDZUJHSGXVPIFB-KGLIPLIRSA-N 1 2 293.411 1.686 20 30 CDEDLO C=C1CCN(c2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)CC1 ZINC001337850684 961466033 /nfs/dbraw/zinc/46/60/33/961466033.db2.gz CXZWBRSKHXDUGT-KGLIPLIRSA-N 1 2 288.395 1.840 20 30 CDEDLO C=C1CCN(c2cc(N3CC[C@H]([C@@H](C)O)C3)nc[nH+]2)CC1 ZINC001337850684 961466037 /nfs/dbraw/zinc/46/60/37/961466037.db2.gz CXZWBRSKHXDUGT-KGLIPLIRSA-N 1 2 288.395 1.840 20 30 CDEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)OC ZINC001340390433 962913944 /nfs/dbraw/zinc/91/39/44/962913944.db2.gz OZRCQOGKPTUMHH-NSHDSACASA-N 1 2 265.361 1.619 20 30 CDEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)OC ZINC001340390433 962913951 /nfs/dbraw/zinc/91/39/51/962913951.db2.gz OZRCQOGKPTUMHH-NSHDSACASA-N 1 2 265.361 1.619 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1nccn1CC ZINC001420574319 963082020 /nfs/dbraw/zinc/08/20/20/963082020.db2.gz MLFDMZYKQIMVDZ-LLVKDONJSA-N 1 2 284.791 1.706 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1nccn1CC ZINC001420574319 963082030 /nfs/dbraw/zinc/08/20/30/963082030.db2.gz MLFDMZYKQIMVDZ-LLVKDONJSA-N 1 2 284.791 1.706 20 30 CDEDLO C[N@H+](CCNC(=O)c1cccnc1)Cc1ccccc1C#N ZINC001442343807 964997043 /nfs/dbraw/zinc/99/70/43/964997043.db2.gz PRZRPRLWBJVDSI-UHFFFAOYSA-N 1 2 294.358 1.815 20 30 CDEDLO C[N@@H+](CCNC(=O)c1cccnc1)Cc1ccccc1C#N ZINC001442343807 964997048 /nfs/dbraw/zinc/99/70/48/964997048.db2.gz PRZRPRLWBJVDSI-UHFFFAOYSA-N 1 2 294.358 1.815 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)NCc1cccc(C#N)c1 ZINC001346267057 965020776 /nfs/dbraw/zinc/02/07/76/965020776.db2.gz UAGFGRRXPMVMLZ-UHFFFAOYSA-N 1 2 268.320 1.541 20 30 CDEDLO Cc1cc(CNC(=O)c2cc(C#N)c[nH]2)cc(C)[nH+]1 ZINC001557079402 965141808 /nfs/dbraw/zinc/14/18/08/965141808.db2.gz WRMRMZWCDRMWQQ-UHFFFAOYSA-N 1 2 254.293 1.828 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cnc(C)cn1 ZINC001445679665 966277705 /nfs/dbraw/zinc/27/77/05/966277705.db2.gz PNIHLDRHWCXXEC-NSHDSACASA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cnc(C)cn1 ZINC001445679665 966277714 /nfs/dbraw/zinc/27/77/14/966277714.db2.gz PNIHLDRHWCXXEC-NSHDSACASA-N 1 2 282.775 1.588 20 30 CDEDLO CCN(CCNC(=O)[C@@H](C)C#N)c1nc(C)[nH+]c(C)c1C ZINC001100471770 968439179 /nfs/dbraw/zinc/43/91/79/968439179.db2.gz QBPCPMSAFNCKIY-JTQLQIEISA-N 1 2 289.383 1.504 20 30 CDEDLO CCN(CCNC(=O)c1ccc(C#N)[nH]1)c1cc[nH+]c(C)n1 ZINC001100491203 968500620 /nfs/dbraw/zinc/50/06/20/968500620.db2.gz STEWSJZAOCEDDQ-UHFFFAOYSA-N 1 2 298.350 1.241 20 30 CDEDLO N#Cc1cccc(NC2CC[NH+]([C@H]3CCOC3=O)CC2)n1 ZINC001458268786 969276505 /nfs/dbraw/zinc/27/65/05/969276505.db2.gz VIXWBYCNGPRRMA-ZDUSSCGKSA-N 1 2 286.335 1.145 20 30 CDEDLO C[NH+](C)Cc1cc(C(=O)Nc2cc(C#N)ccc2F)no1 ZINC001460788688 969545923 /nfs/dbraw/zinc/54/59/23/969545923.db2.gz LTOPTBWPSFUYMH-UHFFFAOYSA-N 1 2 288.282 1.999 20 30 CDEDLO Cc1c[nH+]cc(C)c1NC(=O)c1cccc(C#N)n1 ZINC001537891888 969666190 /nfs/dbraw/zinc/66/61/90/969666190.db2.gz ODVCNZUUMRYUIV-UHFFFAOYSA-N 1 2 252.277 1.639 20 30 CDEDLO Cc1cc(C)c(CNC(=O)[C@@H](C)n2cnc(C#N)n2)c[nH+]1 ZINC001361410030 970180448 /nfs/dbraw/zinc/18/04/48/970180448.db2.gz FWXVBYMFYKDARS-LLVKDONJSA-N 1 2 284.323 1.039 20 30 CDEDLO N#Cc1cccc(C(=O)N2CCc3cc[nH+]c(N)c3C2)n1 ZINC001470912303 970377767 /nfs/dbraw/zinc/37/77/67/970377767.db2.gz PAEGSZCUXCWSEI-UHFFFAOYSA-N 1 2 279.303 1.129 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1ccn(C)n1 ZINC001372329690 972920195 /nfs/dbraw/zinc/92/01/95/972920195.db2.gz YZTXKDVUDPURGG-UHFFFAOYSA-N 1 2 284.791 1.153 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1ccn(C)n1 ZINC001372329690 972920201 /nfs/dbraw/zinc/92/02/01/972920201.db2.gz YZTXKDVUDPURGG-UHFFFAOYSA-N 1 2 284.791 1.153 20 30 CDEDLO CCN(CC[NH2+][C@@H](C)c1nnc(C)o1)C(=O)[C@H](C)C#N ZINC001497362989 973312240 /nfs/dbraw/zinc/31/22/40/973312240.db2.gz XFOUOEBVMAFATK-ZJUUUORDSA-N 1 2 279.344 1.037 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1ccn(C)n1 ZINC001498278714 973806373 /nfs/dbraw/zinc/80/63/73/973806373.db2.gz APZCJFUZXWYVGM-LLVKDONJSA-N 1 2 284.791 1.152 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1ccn(C)n1 ZINC001498278714 973806378 /nfs/dbraw/zinc/80/63/78/973806378.db2.gz APZCJFUZXWYVGM-LLVKDONJSA-N 1 2 284.791 1.152 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1c(C)nn(C)c1C ZINC001375076704 974251536 /nfs/dbraw/zinc/25/15/36/974251536.db2.gz IZLUQBUADPZCPS-JTQLQIEISA-N 1 2 298.818 1.840 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1c(C)nn(C)c1C ZINC001375076704 974251545 /nfs/dbraw/zinc/25/15/45/974251545.db2.gz IZLUQBUADPZCPS-JTQLQIEISA-N 1 2 298.818 1.840 20 30 CDEDLO CC[N@H+](CCNC(=O)[C@H](C)C#N)[C@@H](C)c1ncc(C)o1 ZINC001377291840 974962108 /nfs/dbraw/zinc/96/21/08/974962108.db2.gz LLZYSPZJGDBKSL-PWSUYJOCSA-N 1 2 278.356 1.642 20 30 CDEDLO CC[N@@H+](CCNC(=O)[C@H](C)C#N)[C@@H](C)c1ncc(C)o1 ZINC001377291840 974962112 /nfs/dbraw/zinc/96/21/12/974962112.db2.gz LLZYSPZJGDBKSL-PWSUYJOCSA-N 1 2 278.356 1.642 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cnc(C)nc1C ZINC001378167288 975269667 /nfs/dbraw/zinc/26/96/67/975269667.db2.gz JQHXGJGODQPMTK-SNVBAGLBSA-N 1 2 296.802 1.896 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cnc(C)nc1C ZINC001378167288 975269671 /nfs/dbraw/zinc/26/96/71/975269671.db2.gz JQHXGJGODQPMTK-SNVBAGLBSA-N 1 2 296.802 1.896 20 30 CDEDLO CCC(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001404862330 975517783 /nfs/dbraw/zinc/51/77/83/975517783.db2.gz JHLSCHBKUVMDRR-UHFFFAOYSA-N 1 2 275.327 1.655 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccnc(OC)c1 ZINC001403159457 976773188 /nfs/dbraw/zinc/77/31/88/976773188.db2.gz WLGCAFKPBFQJHP-NSHDSACASA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccnc(OC)c1 ZINC001403159457 976773198 /nfs/dbraw/zinc/77/31/98/976773198.db2.gz WLGCAFKPBFQJHP-NSHDSACASA-N 1 2 297.786 1.893 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001403505829 977004149 /nfs/dbraw/zinc/00/41/49/977004149.db2.gz KMISVIADVVUHHO-NSHDSACASA-N 1 2 288.326 1.405 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001403505829 977004156 /nfs/dbraw/zinc/00/41/56/977004156.db2.gz KMISVIADVVUHHO-NSHDSACASA-N 1 2 288.326 1.405 20 30 CDEDLO C[N@H+](CCNC(=O)CCCF)Cc1ccccc1C#N ZINC001403636099 977115323 /nfs/dbraw/zinc/11/53/23/977115323.db2.gz DDMJPYKXFCWGGO-UHFFFAOYSA-N 1 2 277.343 1.856 20 30 CDEDLO C[N@@H+](CCNC(=O)CCCF)Cc1ccccc1C#N ZINC001403636099 977115330 /nfs/dbraw/zinc/11/53/30/977115330.db2.gz DDMJPYKXFCWGGO-UHFFFAOYSA-N 1 2 277.343 1.856 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1[nH]c(=O)[nH]c1C ZINC001403858264 977234414 /nfs/dbraw/zinc/23/44/14/977234414.db2.gz FNVFUESPDQSEOT-UHFFFAOYSA-N 1 2 286.763 1.228 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1[nH]c(=O)[nH]c1C ZINC001403858264 977234422 /nfs/dbraw/zinc/23/44/22/977234422.db2.gz FNVFUESPDQSEOT-UHFFFAOYSA-N 1 2 286.763 1.228 20 30 CDEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001132568978 1163375874 /nfs/dbraw/zinc/37/58/74/1163375874.db2.gz ISOPFFCPFSZMLG-ZJUUUORDSA-N 1 2 266.345 1.042 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001132569364 1163377161 /nfs/dbraw/zinc/37/71/61/1163377161.db2.gz PHCQENPFNZWCIW-CMPLNLGQSA-N 1 2 265.357 1.647 20 30 CDEDLO CC#CCCCC(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001132591197 1163393453 /nfs/dbraw/zinc/39/34/53/1163393453.db2.gz IYKGCORICDMWCF-UHFFFAOYSA-N 1 2 278.356 1.031 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001133378630 1163661698 /nfs/dbraw/zinc/66/16/98/1163661698.db2.gz IYHOGAHGICFMPG-AWEZNQCLSA-N 1 2 265.357 1.791 20 30 CDEDLO C=CCCC1(C(=O)NCC[NH2+]Cc2nnc(C)o2)CC1 ZINC001133375897 1163667769 /nfs/dbraw/zinc/66/77/69/1163667769.db2.gz NKSPXTWXFPMNJP-UHFFFAOYSA-N 1 2 278.356 1.330 20 30 CDEDLO CO[C@H]1C[NH2+][C@](C)(C(=O)Oc2cccc(OCC#N)c2)C1 ZINC001573960544 1170841816 /nfs/dbraw/zinc/84/18/16/1170841816.db2.gz JQWAQZFNDCUJPS-HIFRSBDPSA-N 1 2 290.319 1.261 20 30 CDEDLO C=C(C)c1cccc(NC(=O)CN2CC[NH2+]CC2=O)c1 ZINC001574848666 1171024714 /nfs/dbraw/zinc/02/47/14/1171024714.db2.gz DRBLPFIOBYXABF-UHFFFAOYSA-N 1 2 273.336 1.090 20 30 CDEDLO N#Cc1cnn2ccn(Cc3[nH+]ccn3C(F)F)c12 ZINC000585815029 342456652 /nfs/dbraw/zinc/45/66/52/342456652.db2.gz QFEVKNPRHNCMIS-UHFFFAOYSA-N 1 2 262.223 1.647 20 30 CDEDLO C[C@@H]1C[C@]1(C#N)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000448611611 361774283 /nfs/dbraw/zinc/77/42/83/361774283.db2.gz FFGFFIKXQJPQDE-CZUORRHYSA-N 1 2 284.363 1.276 20 30 CDEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000618752604 349522320 /nfs/dbraw/zinc/52/23/20/349522320.db2.gz HWOIROLPWSZCBV-AWEZNQCLSA-N 1 2 273.384 1.160 20 30 CDEDLO Cn1c(C#N)ccc1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000590629528 342580314 /nfs/dbraw/zinc/58/03/14/342580314.db2.gz BXVVCYFGOOAIRA-UHFFFAOYSA-N 1 2 282.303 1.195 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCC)CC(=O)N(C)C ZINC000056511066 342057463 /nfs/dbraw/zinc/05/74/63/342057463.db2.gz UKDJLGIVDOGJAJ-UHFFFAOYSA-N 1 2 283.416 1.211 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCC)CC(=O)N(C)C ZINC000056511066 342057464 /nfs/dbraw/zinc/05/74/64/342057464.db2.gz UKDJLGIVDOGJAJ-UHFFFAOYSA-N 1 2 283.416 1.211 20 30 CDEDLO CN(C)c1ccc(CNC(=O)c2ccc(C#N)cc2)c[nH+]1 ZINC000046386145 342059610 /nfs/dbraw/zinc/05/96/10/342059610.db2.gz UMBWRIUCFAUIIN-UHFFFAOYSA-N 1 2 280.331 1.949 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000364841041 342598028 /nfs/dbraw/zinc/59/80/28/342598028.db2.gz FDOAKGDRTWXQKM-GOEBONIOSA-N 1 2 296.411 1.148 20 30 CDEDLO N#CCCCCNC(=O)NCCCCn1cc[nH+]c1 ZINC000609146828 342092350 /nfs/dbraw/zinc/09/23/50/342092350.db2.gz PXYNVOIGOYVPHI-UHFFFAOYSA-N 1 2 263.345 1.656 20 30 CDEDLO C=CCNC(=O)C[N@@H+](CC(=O)OCC)C1CCCC1 ZINC000083244085 178367248 /nfs/dbraw/zinc/36/72/48/178367248.db2.gz SWZFOTSLKWTHBV-UHFFFAOYSA-N 1 2 268.357 1.096 20 30 CDEDLO C=CCNC(=O)C[N@H+](CC(=O)OCC)C1CCCC1 ZINC000083244085 178367249 /nfs/dbraw/zinc/36/72/49/178367249.db2.gz SWZFOTSLKWTHBV-UHFFFAOYSA-N 1 2 268.357 1.096 20 30 CDEDLO Cc1cc(N[C@@H]2CCO[C@@H](c3nccn3C)C2)c(C#N)c[nH+]1 ZINC000591825395 342647860 /nfs/dbraw/zinc/64/78/60/342647860.db2.gz HWYOSPOZLVKGCT-UKRRQHHQSA-N 1 2 297.362 1.749 20 30 CDEDLO CCc1noc([C@@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)n1 ZINC000592146322 342673184 /nfs/dbraw/zinc/67/31/84/342673184.db2.gz HHTQZPQVEQTLLC-BXKDBHETSA-N 1 2 250.302 1.043 20 30 CDEDLO CCc1noc([C@@H](C)[N@H+]2CC[C@](O)(CC#N)C2)n1 ZINC000592146322 342673185 /nfs/dbraw/zinc/67/31/85/342673185.db2.gz HHTQZPQVEQTLLC-BXKDBHETSA-N 1 2 250.302 1.043 20 30 CDEDLO Cc1cccc2[nH+]c(CCNC(=O)NCC3(C#N)CC3)cn21 ZINC000592019563 342662068 /nfs/dbraw/zinc/66/20/68/342662068.db2.gz CSBGYPWFWUVVDK-UHFFFAOYSA-N 1 2 297.362 1.788 20 30 CDEDLO COc1cc(F)c(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1OC ZINC000593635380 342817391 /nfs/dbraw/zinc/81/73/91/342817391.db2.gz DCSMDMPKIAJMRG-HNNXBMFYSA-N 1 2 294.326 1.693 20 30 CDEDLO COc1cc(F)c(C[N@H+]2CC[C@@](O)(CC#N)C2)cc1OC ZINC000593635380 342817392 /nfs/dbraw/zinc/81/73/92/342817392.db2.gz DCSMDMPKIAJMRG-HNNXBMFYSA-N 1 2 294.326 1.693 20 30 CDEDLO CO[C@H]1CC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000267789423 362000780 /nfs/dbraw/zinc/00/07/80/362000780.db2.gz JHVCSNZNKYAQMW-NSHDSACASA-N 1 2 277.324 1.427 20 30 CDEDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000267789423 362000781 /nfs/dbraw/zinc/00/07/81/362000781.db2.gz JHVCSNZNKYAQMW-NSHDSACASA-N 1 2 277.324 1.427 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CCC[C@@H]2C#N)C1 ZINC000332900241 539049852 /nfs/dbraw/zinc/04/98/52/539049852.db2.gz OLRSWWUGJBEHDO-UPJWGTAASA-N 1 2 287.367 1.611 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]1(C#N)CCSC1 ZINC000594257654 342885459 /nfs/dbraw/zinc/88/54/59/342885459.db2.gz KOSNJFTXTVXRTF-CABZTGNLSA-N 1 2 264.354 1.104 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]1(C#N)CCSC1 ZINC000594257654 342885460 /nfs/dbraw/zinc/88/54/60/342885460.db2.gz KOSNJFTXTVXRTF-CABZTGNLSA-N 1 2 264.354 1.104 20 30 CDEDLO C[C@H]1CO[C@H](CO)C[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000157142284 362003529 /nfs/dbraw/zinc/00/35/29/362003529.db2.gz UUWFCOZHKUNJHK-WFASDCNBSA-N 1 2 279.767 1.773 20 30 CDEDLO C[C@H]1CO[C@H](CO)C[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000157142284 362003533 /nfs/dbraw/zinc/00/35/33/362003533.db2.gz UUWFCOZHKUNJHK-WFASDCNBSA-N 1 2 279.767 1.773 20 30 CDEDLO N#Cc1cccc(-n2cc(C[NH+]3CCSCC3)nn2)c1 ZINC000594651259 342932997 /nfs/dbraw/zinc/93/29/97/342932997.db2.gz HAVPLZJXQDGFMK-UHFFFAOYSA-N 1 2 285.376 1.688 20 30 CDEDLO COCC[N@H+](C)Cc1cn(-c2ccccc2C#N)nn1 ZINC000594651776 342933435 /nfs/dbraw/zinc/93/34/35/342933435.db2.gz KNMXKZMSOXXJBS-UHFFFAOYSA-N 1 2 271.324 1.217 20 30 CDEDLO COCC[N@@H+](C)Cc1cn(-c2ccccc2C#N)nn1 ZINC000594651776 342933437 /nfs/dbraw/zinc/93/34/37/342933437.db2.gz KNMXKZMSOXXJBS-UHFFFAOYSA-N 1 2 271.324 1.217 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCSCC1 ZINC000047987545 342281178 /nfs/dbraw/zinc/28/11/78/342281178.db2.gz NKVAJUFNGYODEV-LBPRGKRZSA-N 1 2 255.387 1.090 20 30 CDEDLO C[C@@H](NS(=O)(=O)CC(C)(C)CC#N)c1[nH+]ccn1C ZINC000595383463 343052053 /nfs/dbraw/zinc/05/20/53/343052053.db2.gz OLGHXZWEDRPQEP-SNVBAGLBSA-N 1 2 284.385 1.340 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N(C)Cc1ccc(OCC)cc1 ZINC000076186033 342320027 /nfs/dbraw/zinc/32/00/27/342320027.db2.gz AKPMKAHYMZALHZ-UHFFFAOYSA-N 1 2 298.386 1.612 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Nc1c(C#N)nnc2ccccc21 ZINC000076324314 342320861 /nfs/dbraw/zinc/32/08/61/342320861.db2.gz IRAZIMFRNWHABD-LBPRGKRZSA-N 1 2 297.362 1.634 20 30 CDEDLO C[C@@H](C#N)CN(C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000079485223 342344990 /nfs/dbraw/zinc/34/49/90/342344990.db2.gz KSDCZAMEQJDNBG-LBPRGKRZSA-N 1 2 289.383 1.563 20 30 CDEDLO C=CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H](C)COC ZINC000595638277 343123026 /nfs/dbraw/zinc/12/30/26/343123026.db2.gz FHRXQLYPHIHDNX-SECBINFHSA-N 1 2 269.301 1.914 20 30 CDEDLO C=CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H](C)COC ZINC000595638277 343123027 /nfs/dbraw/zinc/12/30/27/343123027.db2.gz FHRXQLYPHIHDNX-SECBINFHSA-N 1 2 269.301 1.914 20 30 CDEDLO CC[N@H+](CCCN1C(=O)c2ccccc2C1=O)[C@H](C)C#N ZINC000595813363 343161842 /nfs/dbraw/zinc/16/18/42/343161842.db2.gz SYNGUWMSQMXJCX-GFCCVEGCSA-N 1 2 285.347 1.907 20 30 CDEDLO CC[N@@H+](CCCN1C(=O)c2ccccc2C1=O)[C@H](C)C#N ZINC000595813363 343161843 /nfs/dbraw/zinc/16/18/43/343161843.db2.gz SYNGUWMSQMXJCX-GFCCVEGCSA-N 1 2 285.347 1.907 20 30 CDEDLO N#Cc1cnnc(NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000596066496 343224308 /nfs/dbraw/zinc/22/43/08/343224308.db2.gz DXMCIRNVBJBCIR-UHFFFAOYSA-N 1 2 280.335 1.377 20 30 CDEDLO N#Cc1cnnc(N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000596112490 343230408 /nfs/dbraw/zinc/23/04/08/343230408.db2.gz QVNDKOGIRNQWRO-LBPRGKRZSA-N 1 2 254.297 1.386 20 30 CDEDLO CCc1cnc(CN(CCC#N)CC[NH+]2CCOCC2)o1 ZINC000081158044 342364762 /nfs/dbraw/zinc/36/47/62/342364762.db2.gz DJWHXYYUEZAFIT-UHFFFAOYSA-N 1 2 292.383 1.285 20 30 CDEDLO C[C@@H](O)[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000089927503 342394175 /nfs/dbraw/zinc/39/41/75/342394175.db2.gz ZFKBPWKTGYNUCU-ZYHUDNBSSA-N 1 2 293.392 1.651 20 30 CDEDLO C[C@@H](O)[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000089927503 342394176 /nfs/dbraw/zinc/39/41/76/342394176.db2.gz ZFKBPWKTGYNUCU-ZYHUDNBSSA-N 1 2 293.392 1.651 20 30 CDEDLO Cc1cc(NCC(C)(C)[C@]2(O)CCCOC2)c(C#N)c[nH+]1 ZINC000596535481 343344919 /nfs/dbraw/zinc/34/49/19/343344919.db2.gz RRZFHEVXRRUFSX-INIZCTEOSA-N 1 2 289.379 1.663 20 30 CDEDLO COc1nc2ccccc2cc1C[NH+]1CCN(CC#N)CC1 ZINC000092936206 342420625 /nfs/dbraw/zinc/42/06/25/342420625.db2.gz JXJZUPBCAPFUOL-UHFFFAOYSA-N 1 2 296.374 1.885 20 30 CDEDLO CN(C(=O)C[N@@H+]1CCOCC1(C)C)C1(C#N)CCCCC1 ZINC000140164386 342434206 /nfs/dbraw/zinc/43/42/06/342434206.db2.gz OCBPSKATOMRVHD-UHFFFAOYSA-N 1 2 293.411 1.782 20 30 CDEDLO CN(C(=O)C[N@H+]1CCOCC1(C)C)C1(C#N)CCCCC1 ZINC000140164386 342434207 /nfs/dbraw/zinc/43/42/07/342434207.db2.gz OCBPSKATOMRVHD-UHFFFAOYSA-N 1 2 293.411 1.782 20 30 CDEDLO C[C@H](CC(=O)N1CCC[C@H](CC#N)C1)n1cc[nH+]c1 ZINC000597900552 343665370 /nfs/dbraw/zinc/66/53/70/343665370.db2.gz CAMAZZJEIQEGRG-CHWSQXEVSA-N 1 2 260.341 1.986 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cc(C#N)cs1 ZINC000597994105 343683794 /nfs/dbraw/zinc/68/37/94/343683794.db2.gz APLATXOIHNWIPY-MNOVXSKESA-N 1 2 293.392 1.459 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cc(C#N)cs1 ZINC000597994105 343683796 /nfs/dbraw/zinc/68/37/96/343683796.db2.gz APLATXOIHNWIPY-MNOVXSKESA-N 1 2 293.392 1.459 20 30 CDEDLO C=C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)C(=O)OC ZINC000619699588 349856781 /nfs/dbraw/zinc/85/67/81/349856781.db2.gz AZLCKFIWQJBUKK-ZDUSSCGKSA-N 1 2 292.335 1.201 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc2c(c1)CCOC2 ZINC000598836901 343915091 /nfs/dbraw/zinc/91/50/91/343915091.db2.gz RPWHEZWGRDNEPJ-INIZCTEOSA-N 1 2 287.363 1.333 20 30 CDEDLO N#Cc1cc(CN2CC[NH+](Cc3cn[nH]c3)CC2)ccc1F ZINC000599439399 344049513 /nfs/dbraw/zinc/04/95/13/344049513.db2.gz RAUJGIYBWQNOBN-UHFFFAOYSA-N 1 2 299.353 1.738 20 30 CDEDLO N#Cc1ccsc1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000052050545 362345368 /nfs/dbraw/zinc/34/53/68/362345368.db2.gz UMGPWNIXUOLWSP-GFCCVEGCSA-N 1 2 275.377 1.930 20 30 CDEDLO N#Cc1ccsc1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000052050545 362345373 /nfs/dbraw/zinc/34/53/73/362345373.db2.gz UMGPWNIXUOLWSP-GFCCVEGCSA-N 1 2 275.377 1.930 20 30 CDEDLO CCC(C#N)(CC)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000600091694 344175570 /nfs/dbraw/zinc/17/55/70/344175570.db2.gz JAVZWTVJZJEELD-CHWSQXEVSA-N 1 2 281.400 1.542 20 30 CDEDLO CCC(C#N)(CC)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000600091694 344175572 /nfs/dbraw/zinc/17/55/72/344175572.db2.gz JAVZWTVJZJEELD-CHWSQXEVSA-N 1 2 281.400 1.542 20 30 CDEDLO N#CC1(CNC(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC1 ZINC000602148713 344351592 /nfs/dbraw/zinc/35/15/92/344351592.db2.gz OFWDPYKCWYVJPX-UHFFFAOYSA-N 1 2 282.303 1.611 20 30 CDEDLO COCCN(CCC#N)Cc1cc2c(c[nH+]1)OCCO2 ZINC000602465559 344425841 /nfs/dbraw/zinc/42/58/41/344425841.db2.gz OGSUOFFEIWSYCT-UHFFFAOYSA-N 1 2 277.324 1.215 20 30 CDEDLO COCCN(CCC#N)[C@H](c1[nH+]ccn1C)C1CC1 ZINC000602466681 344426578 /nfs/dbraw/zinc/42/65/78/344426578.db2.gz ZFTQKLYVWFAKDD-ZDUSSCGKSA-N 1 2 262.357 1.733 20 30 CDEDLO C[C@@]1(C#N)CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000612157774 347061265 /nfs/dbraw/zinc/06/12/65/347061265.db2.gz CGMMCQXWINGZTJ-RDJZCZTQSA-N 1 2 299.374 1.924 20 30 CDEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000612157774 347061267 /nfs/dbraw/zinc/06/12/67/347061267.db2.gz CGMMCQXWINGZTJ-RDJZCZTQSA-N 1 2 299.374 1.924 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000120549398 362459936 /nfs/dbraw/zinc/45/99/36/362459936.db2.gz DPSPANNVSNMUTG-ZDUSSCGKSA-N 1 2 294.376 1.186 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000120549398 362459940 /nfs/dbraw/zinc/45/99/40/362459940.db2.gz DPSPANNVSNMUTG-ZDUSSCGKSA-N 1 2 294.376 1.186 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccccc1C#N ZINC000602861905 344617399 /nfs/dbraw/zinc/61/73/99/344617399.db2.gz IBCKRCBJNDAJGP-QWRGUYRKSA-N 1 2 256.309 1.777 20 30 CDEDLO C[C@@]1(C#N)CCC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000612167929 347065813 /nfs/dbraw/zinc/06/58/13/347065813.db2.gz ZHMCBPIBSYGCQD-ZNMIVQPWSA-N 1 2 263.385 1.475 20 30 CDEDLO C[C@@]1(C#N)CCC[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000612167929 347065816 /nfs/dbraw/zinc/06/58/16/347065816.db2.gz ZHMCBPIBSYGCQD-ZNMIVQPWSA-N 1 2 263.385 1.475 20 30 CDEDLO CCCn1nccc1NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000602882260 344633556 /nfs/dbraw/zinc/63/35/56/344633556.db2.gz BGRNKXZCULSMSC-ZDUSSCGKSA-N 1 2 289.383 1.857 20 30 CDEDLO CCCn1nccc1NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000602882260 344633559 /nfs/dbraw/zinc/63/35/59/344633559.db2.gz BGRNKXZCULSMSC-ZDUSSCGKSA-N 1 2 289.383 1.857 20 30 CDEDLO C=CC[N@H+](CC(=O)Nc1ccon1)Cc1cccc(C#N)c1 ZINC000604487251 344893579 /nfs/dbraw/zinc/89/35/79/344893579.db2.gz DCDPOAPBRQDQNW-UHFFFAOYSA-N 1 2 296.330 1.595 20 30 CDEDLO C=CC[N@@H+](CC(=O)Nc1ccon1)Cc1cccc(C#N)c1 ZINC000604487251 344893582 /nfs/dbraw/zinc/89/35/82/344893582.db2.gz DCDPOAPBRQDQNW-UHFFFAOYSA-N 1 2 296.330 1.595 20 30 CDEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000609485824 344914983 /nfs/dbraw/zinc/91/49/83/344914983.db2.gz YHWDYKSTKPNQJS-HNNXBMFYSA-N 1 2 292.427 1.165 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000295091361 199340703 /nfs/dbraw/zinc/34/07/03/199340703.db2.gz TVWNGRKKZYYPQG-LBPRGKRZSA-N 1 2 260.337 1.572 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000295091361 199340704 /nfs/dbraw/zinc/34/07/04/199340704.db2.gz TVWNGRKKZYYPQG-LBPRGKRZSA-N 1 2 260.337 1.572 20 30 CDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000265666312 362571130 /nfs/dbraw/zinc/57/11/30/362571130.db2.gz YLQWZHSWTRHGRQ-UVARLRKDSA-N 1 2 292.404 1.778 20 30 CDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000265666312 362571135 /nfs/dbraw/zinc/57/11/35/362571135.db2.gz YLQWZHSWTRHGRQ-UVARLRKDSA-N 1 2 292.404 1.778 20 30 CDEDLO CC[C@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)C[C@@H](C)O1 ZINC000408124943 260251972 /nfs/dbraw/zinc/25/19/72/260251972.db2.gz UYVZTFQUQHUIDY-NEPJUHHUSA-N 1 2 265.357 1.048 20 30 CDEDLO CC[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)C[C@@H](C)O1 ZINC000408124943 260251974 /nfs/dbraw/zinc/25/19/74/260251974.db2.gz UYVZTFQUQHUIDY-NEPJUHHUSA-N 1 2 265.357 1.048 20 30 CDEDLO COCC[N@H+](CCC#N)Cc1cc2c(c(OC)c1)OCO2 ZINC000093099875 345452488 /nfs/dbraw/zinc/45/24/88/345452488.db2.gz NGYJICWSQOUHAH-UHFFFAOYSA-N 1 2 292.335 1.786 20 30 CDEDLO COCC[N@@H+](CCC#N)Cc1cc2c(c(OC)c1)OCO2 ZINC000093099875 345452492 /nfs/dbraw/zinc/45/24/92/345452492.db2.gz NGYJICWSQOUHAH-UHFFFAOYSA-N 1 2 292.335 1.786 20 30 CDEDLO C=CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@H](C)COC ZINC000617584869 345869098 /nfs/dbraw/zinc/86/90/98/345869098.db2.gz NMOGTZDGDIEGTN-VXGBXAGGSA-N 1 2 265.357 1.638 20 30 CDEDLO C=CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@H](C)COC ZINC000617584869 345869100 /nfs/dbraw/zinc/86/91/00/345869100.db2.gz NMOGTZDGDIEGTN-VXGBXAGGSA-N 1 2 265.357 1.638 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC(C)(C)OCC1(C)C ZINC000609671561 345988654 /nfs/dbraw/zinc/98/86/54/345988654.db2.gz FPQNFUNCGITTCU-UHFFFAOYSA-N 1 2 281.400 1.638 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CC(C)(C)OCC1(C)C ZINC000609671561 345988656 /nfs/dbraw/zinc/98/86/56/345988656.db2.gz FPQNFUNCGITTCU-UHFFFAOYSA-N 1 2 281.400 1.638 20 30 CDEDLO N#CCCN1CC[NH+](CCOc2ccccc2F)CC1 ZINC000611173790 346627300 /nfs/dbraw/zinc/62/73/00/346627300.db2.gz KQPREXPBXYHYJF-UHFFFAOYSA-N 1 2 277.343 1.736 20 30 CDEDLO C[C@@]1(C#N)CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000612364409 347132870 /nfs/dbraw/zinc/13/28/70/347132870.db2.gz AFEKPHUHBSUBLA-WFASDCNBSA-N 1 2 272.352 1.598 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)CC1(C#N)CCC1 ZINC000450462105 362826670 /nfs/dbraw/zinc/82/66/70/362826670.db2.gz DWAIRHVGUXFRRD-UHFFFAOYSA-N 1 2 276.384 1.228 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@](COC)(C(=O)OCC)C1 ZINC000619722320 348209972 /nfs/dbraw/zinc/20/99/72/348209972.db2.gz LKMFTMMKESUDEA-SWLSCSKDSA-N 1 2 299.367 1.006 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@](COC)(C(=O)OCC)C1 ZINC000619722320 348209973 /nfs/dbraw/zinc/20/99/73/348209973.db2.gz LKMFTMMKESUDEA-SWLSCSKDSA-N 1 2 299.367 1.006 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc[nH]n3)CC2)cc1 ZINC000042381546 348723488 /nfs/dbraw/zinc/72/34/88/348723488.db2.gz BFBWUQSHDJPSOF-UHFFFAOYSA-N 1 2 295.346 1.239 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccn[nH]3)CC2)cc1 ZINC000042381546 348723490 /nfs/dbraw/zinc/72/34/90/348723490.db2.gz BFBWUQSHDJPSOF-UHFFFAOYSA-N 1 2 295.346 1.239 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000030195901 348676817 /nfs/dbraw/zinc/67/68/17/348676817.db2.gz ITLMIGCEHTVCAL-WFASDCNBSA-N 1 2 281.400 1.540 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000030195901 348676821 /nfs/dbraw/zinc/67/68/21/348676821.db2.gz ITLMIGCEHTVCAL-WFASDCNBSA-N 1 2 281.400 1.540 20 30 CDEDLO C[N@H+](CCC(F)(F)F)CC(=O)N(CCC#N)CCC#N ZINC000064634864 348944763 /nfs/dbraw/zinc/94/47/63/348944763.db2.gz GSGHPARJYKWBND-UHFFFAOYSA-N 1 2 290.289 1.527 20 30 CDEDLO C[N@@H+](CCC(F)(F)F)CC(=O)N(CCC#N)CCC#N ZINC000064634864 348944766 /nfs/dbraw/zinc/94/47/66/348944766.db2.gz GSGHPARJYKWBND-UHFFFAOYSA-N 1 2 290.289 1.527 20 30 CDEDLO Cc1cccc(OC[C@H](O)C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000263767471 362944298 /nfs/dbraw/zinc/94/42/98/362944298.db2.gz ZDFAXFYNMIDRDL-UONOGXRCSA-N 1 2 262.353 1.826 20 30 CDEDLO Cc1cccc(OC[C@H](O)C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000263767471 362944302 /nfs/dbraw/zinc/94/43/02/362944302.db2.gz ZDFAXFYNMIDRDL-UONOGXRCSA-N 1 2 262.353 1.826 20 30 CDEDLO CN(CC[NH+]1CCOCC1)C(=O)c1cccc(CC#N)c1 ZINC000263853048 362946966 /nfs/dbraw/zinc/94/69/66/362946966.db2.gz HINCNHJFEKZDFP-UHFFFAOYSA-N 1 2 287.363 1.157 20 30 CDEDLO Cc1[nH][nH]c(=NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)c1C#N ZINC000602187335 350083675 /nfs/dbraw/zinc/08/36/75/350083675.db2.gz FZBYZEVLCJQXKZ-LBPRGKRZSA-N 1 2 286.339 1.434 20 30 CDEDLO Cc1cc(C[NH+]2CCN(Cc3cccc(C#N)n3)CC2)on1 ZINC000602429540 350108568 /nfs/dbraw/zinc/10/85/68/350108568.db2.gz FQUIKSAMIPCPKM-UHFFFAOYSA-N 1 2 297.362 1.568 20 30 CDEDLO COCc1nc(C[NH2+]Cc2cccc(C#N)n2)cs1 ZINC000602665843 350139315 /nfs/dbraw/zinc/13/93/15/350139315.db2.gz CZBRDLSBLQHRQJ-UHFFFAOYSA-N 1 2 274.349 1.846 20 30 CDEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000602868854 350157990 /nfs/dbraw/zinc/15/79/90/350157990.db2.gz YCZCTVXAHVKLBD-CYBMUJFWSA-N 1 2 296.378 1.555 20 30 CDEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC000602868854 350157992 /nfs/dbraw/zinc/15/79/92/350157992.db2.gz YCZCTVXAHVKLBD-CYBMUJFWSA-N 1 2 296.378 1.555 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620595574 350272482 /nfs/dbraw/zinc/27/24/82/350272482.db2.gz LCZLBAFESBXBJP-MNOVXSKESA-N 1 2 251.330 1.579 20 30 CDEDLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000156988599 188292049 /nfs/dbraw/zinc/29/20/49/188292049.db2.gz MGVOSGLDORIEEG-BXUZGUMPSA-N 1 2 278.327 1.669 20 30 CDEDLO C[C@@H](O)C[C@@H]1COCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000156988599 188292050 /nfs/dbraw/zinc/29/20/50/188292050.db2.gz MGVOSGLDORIEEG-BXUZGUMPSA-N 1 2 278.327 1.669 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCc1ccccc1OC ZINC000293201613 198558678 /nfs/dbraw/zinc/55/86/78/198558678.db2.gz QVVYHRVRUBKCSI-UHFFFAOYSA-N 1 2 260.337 1.267 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCc1ccccc1OC ZINC000293201613 198558679 /nfs/dbraw/zinc/55/86/79/198558679.db2.gz QVVYHRVRUBKCSI-UHFFFAOYSA-N 1 2 260.337 1.267 20 30 CDEDLO CCn1cc[nH+]c1/C=C/C(=O)N(C)CC(C)(C)C#N ZINC000492941162 366185800 /nfs/dbraw/zinc/18/58/00/366185800.db2.gz OHZSJJHPEFKQOT-VOTSOKGWSA-N 1 2 260.341 1.924 20 30 CDEDLO C=CCCNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000658389095 412600099 /nfs/dbraw/zinc/60/00/99/412600099.db2.gz JFYQPKAIBTULPX-UHFFFAOYSA-N 1 2 261.325 1.638 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCCCCn1cc[nH+]c1 ZINC000066921763 356433434 /nfs/dbraw/zinc/43/34/34/356433434.db2.gz SHSHHSONKCPELD-CYBMUJFWSA-N 1 2 265.357 1.761 20 30 CDEDLO Cc1oc(NC(=O)C[NH+]2CCC(CO)CC2)c(C#N)c1C ZINC000048347352 356796519 /nfs/dbraw/zinc/79/65/19/356796519.db2.gz DYNUAKVMBSYAFK-UHFFFAOYSA-N 1 2 291.351 1.411 20 30 CDEDLO C#CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000298735220 356914188 /nfs/dbraw/zinc/91/41/88/356914188.db2.gz VWXOTUNKWCHZIW-UHFFFAOYSA-N 1 2 259.309 1.658 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000341400665 357252697 /nfs/dbraw/zinc/25/26/97/357252697.db2.gz RVGLULBFMFSZCK-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000341400665 357252698 /nfs/dbraw/zinc/25/26/98/357252698.db2.gz RVGLULBFMFSZCK-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO C[NH+](C)[C@@H](CNS(=O)(=O)CC1(C#N)CC1)c1ccco1 ZINC000180387001 357267530 /nfs/dbraw/zinc/26/75/30/357267530.db2.gz LWVYMZHBRZJEFX-NSHDSACASA-N 1 2 297.380 1.105 20 30 CDEDLO CC#CCO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000180624299 357278515 /nfs/dbraw/zinc/27/85/15/357278515.db2.gz YYPYEELMROMSDC-UHFFFAOYSA-N 1 2 272.352 1.732 20 30 CDEDLO Cc1ccnc(N[C@@H](C)C[NH+]2CCOCC2)c1C#N ZINC000135068458 357413878 /nfs/dbraw/zinc/41/38/78/357413878.db2.gz WHFLKLKYOOTAIN-LBPRGKRZSA-N 1 2 260.341 1.394 20 30 CDEDLO CNS(=O)(=O)C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000264622836 357512085 /nfs/dbraw/zinc/51/20/85/357512085.db2.gz LSONXDPWXSXNMX-UHFFFAOYSA-N 1 2 293.392 1.072 20 30 CDEDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1sccc1C#N ZINC000334355195 357575195 /nfs/dbraw/zinc/57/51/95/357575195.db2.gz AHMOVWKVANOZKK-NXEZZACHSA-N 1 2 263.366 1.784 20 30 CDEDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1sccc1C#N ZINC000334355195 357575196 /nfs/dbraw/zinc/57/51/96/357575196.db2.gz AHMOVWKVANOZKK-NXEZZACHSA-N 1 2 263.366 1.784 20 30 CDEDLO N#CC1(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)CCC1 ZINC000368820700 358569679 /nfs/dbraw/zinc/56/96/79/358569679.db2.gz CQXNWHNETDZJCZ-ZDUSSCGKSA-N 1 2 284.363 1.860 20 30 CDEDLO C[C@@H](C#N)CNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000596553502 358663933 /nfs/dbraw/zinc/66/39/33/358663933.db2.gz YQMQWARHFRZNIZ-LBPRGKRZSA-N 1 2 287.367 1.641 20 30 CDEDLO CC(C)C(=O)NCC[N@H+](C)Cc1cccc(C#N)c1F ZINC000341122997 366492973 /nfs/dbraw/zinc/49/29/73/366492973.db2.gz HANOQVYSPVVBME-UHFFFAOYSA-N 1 2 277.343 1.901 20 30 CDEDLO CC(C)C(=O)NCC[N@@H+](C)Cc1cccc(C#N)c1F ZINC000341122997 366492978 /nfs/dbraw/zinc/49/29/78/366492978.db2.gz HANOQVYSPVVBME-UHFFFAOYSA-N 1 2 277.343 1.901 20 30 CDEDLO C=CC[N@H+](C/C=C/c1ccncc1)[C@H]1CCS(=O)(=O)C1 ZINC000495164180 366519016 /nfs/dbraw/zinc/51/90/16/366519016.db2.gz MZAWLHSPTDBSDY-BWPKMQGJSA-N 1 2 292.404 1.770 20 30 CDEDLO C=CC[N@@H+](C/C=C/c1ccncc1)[C@H]1CCS(=O)(=O)C1 ZINC000495164180 366519020 /nfs/dbraw/zinc/51/90/20/366519020.db2.gz MZAWLHSPTDBSDY-BWPKMQGJSA-N 1 2 292.404 1.770 20 30 CDEDLO C[C@@H](C#N)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000345790723 358890959 /nfs/dbraw/zinc/89/09/59/358890959.db2.gz DZAMPCHPGDVHOX-DZGCQCFKSA-N 1 2 287.363 1.336 20 30 CDEDLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000346991283 359126151 /nfs/dbraw/zinc/12/61/51/359126151.db2.gz HYOPVJINLXINIZ-ZDUSSCGKSA-N 1 2 265.357 1.050 20 30 CDEDLO CC[C@@]1(C)COCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000346991283 359126156 /nfs/dbraw/zinc/12/61/56/359126156.db2.gz HYOPVJINLXINIZ-ZDUSSCGKSA-N 1 2 265.357 1.050 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)CCO1 ZINC000045752392 359169516 /nfs/dbraw/zinc/16/95/16/359169516.db2.gz OAFWLAVBXUVPJB-CQSZACIVSA-N 1 2 293.411 1.782 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)CCO1 ZINC000045752392 359169519 /nfs/dbraw/zinc/16/95/19/359169519.db2.gz OAFWLAVBXUVPJB-CQSZACIVSA-N 1 2 293.411 1.782 20 30 CDEDLO C=CCC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000265854461 359335756 /nfs/dbraw/zinc/33/57/56/359335756.db2.gz VVWVWUIJCCOYTE-UHFFFAOYSA-N 1 2 298.383 1.708 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000266959756 359346367 /nfs/dbraw/zinc/34/63/67/359346367.db2.gz WJMIXQJFLFOBKW-UHFFFAOYSA-N 1 2 258.321 1.783 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000266959756 359346371 /nfs/dbraw/zinc/34/63/71/359346371.db2.gz WJMIXQJFLFOBKW-UHFFFAOYSA-N 1 2 258.321 1.783 20 30 CDEDLO CCOCC[NH+]1CCN(C(=O)C#Cc2ccccc2)CC1 ZINC000267070439 359347970 /nfs/dbraw/zinc/34/79/70/359347970.db2.gz YZVDALGBDJGJJU-UHFFFAOYSA-N 1 2 286.375 1.219 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000271066034 359419427 /nfs/dbraw/zinc/41/94/27/359419427.db2.gz UNKHLWFGBSRIQB-UHFFFAOYSA-N 1 2 299.326 1.328 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCc1[nH]c[nH+]c1C)OCC ZINC000270150965 359391622 /nfs/dbraw/zinc/39/16/22/359391622.db2.gz HPBLEFSKSNZUPC-GFCCVEGCSA-N 1 2 251.330 1.706 20 30 CDEDLO C#C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000274851300 359520855 /nfs/dbraw/zinc/52/08/55/359520855.db2.gz VWCUAYRWQRURPD-CQSZACIVSA-N 1 2 296.374 1.407 20 30 CDEDLO C#Cc1cccc(NC(=O)NCC2([NH+]3CCOCC3)CC2)c1 ZINC000278128364 359578706 /nfs/dbraw/zinc/57/87/06/359578706.db2.gz SESWPENBZLLZEX-UHFFFAOYSA-N 1 2 299.374 1.654 20 30 CDEDLO CC1=CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000289563017 359619862 /nfs/dbraw/zinc/61/98/62/359619862.db2.gz XYRSZQWZCPEUEQ-UHFFFAOYSA-N 1 2 291.376 1.379 20 30 CDEDLO CC1=CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000289563017 359619865 /nfs/dbraw/zinc/61/98/65/359619865.db2.gz XYRSZQWZCPEUEQ-UHFFFAOYSA-N 1 2 291.376 1.379 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C)CCO1 ZINC000166228555 359783069 /nfs/dbraw/zinc/78/30/69/359783069.db2.gz YXJNLLRUELLGAW-AWEZNQCLSA-N 1 2 274.320 1.241 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C)CCO1 ZINC000166228555 359783074 /nfs/dbraw/zinc/78/30/74/359783074.db2.gz YXJNLLRUELLGAW-AWEZNQCLSA-N 1 2 274.320 1.241 20 30 CDEDLO COC(=O)c1ccc(NCCNc2cccc[nH+]2)c(C#N)n1 ZINC000572044200 359784466 /nfs/dbraw/zinc/78/44/66/359784466.db2.gz ZKKNQEBWWXUMDN-UHFFFAOYSA-N 1 2 297.318 1.659 20 30 CDEDLO Cn1cc([C@H](CO)[NH2+]Cc2ccccc2C#N)cn1 ZINC000270198844 359928104 /nfs/dbraw/zinc/92/81/04/359928104.db2.gz LWYVLZKXBQJAGG-AWEZNQCLSA-N 1 2 256.309 1.115 20 30 CDEDLO COCC[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000267347478 359983075 /nfs/dbraw/zinc/98/30/75/359983075.db2.gz FVXLHYFIHDYWNN-UHFFFAOYSA-N 1 2 281.381 1.753 20 30 CDEDLO COCC[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000267347478 359983076 /nfs/dbraw/zinc/98/30/76/359983076.db2.gz FVXLHYFIHDYWNN-UHFFFAOYSA-N 1 2 281.381 1.753 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1ccnn1C ZINC000348368997 360032049 /nfs/dbraw/zinc/03/20/49/360032049.db2.gz LMEVVJNIWZJTHG-CYBMUJFWSA-N 1 2 276.384 1.441 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccnn1C ZINC000348368997 360032054 /nfs/dbraw/zinc/03/20/54/360032054.db2.gz LMEVVJNIWZJTHG-CYBMUJFWSA-N 1 2 276.384 1.441 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000214568933 360088220 /nfs/dbraw/zinc/08/82/20/360088220.db2.gz YRAVOXHNUJVYHR-VIFPVBQESA-N 1 2 272.268 1.559 20 30 CDEDLO C[C@@H](C#N)CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000335404503 360224550 /nfs/dbraw/zinc/22/45/50/360224550.db2.gz HVTWKXMCPTWAIY-WDEREUQCSA-N 1 2 261.329 1.458 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000337588891 360273986 /nfs/dbraw/zinc/27/39/86/360273986.db2.gz MBHLKPVAJNJVCD-HIFRSBDPSA-N 1 2 289.379 1.536 20 30 CDEDLO C=C1CC[NH+]([C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000336543359 363722930 /nfs/dbraw/zinc/72/29/30/363722930.db2.gz QGCYGNCSIFZYIZ-CYBMUJFWSA-N 1 2 274.368 1.568 20 30 CDEDLO C=CCCC[C@@H](C)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000348575887 360421074 /nfs/dbraw/zinc/42/10/74/360421074.db2.gz ROXLXFMUHDKWGM-PWSUYJOCSA-N 1 2 276.340 1.617 20 30 CDEDLO C=CCCC[C@@H](C)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000348575887 360421075 /nfs/dbraw/zinc/42/10/75/360421075.db2.gz ROXLXFMUHDKWGM-PWSUYJOCSA-N 1 2 276.340 1.617 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cn2ccsc2n1 ZINC000572475703 360499330 /nfs/dbraw/zinc/49/93/30/360499330.db2.gz PVXBCWIEKCWWES-JTQLQIEISA-N 1 2 259.338 1.929 20 30 CDEDLO CCC[N@H+](CC(=O)N(C)C)Cc1cc(C#N)ccc1OC ZINC000130434008 360467213 /nfs/dbraw/zinc/46/72/13/360467213.db2.gz WVDWPBRMDUDIBE-UHFFFAOYSA-N 1 2 289.379 1.867 20 30 CDEDLO CCC[N@@H+](CC(=O)N(C)C)Cc1cc(C#N)ccc1OC ZINC000130434008 360467215 /nfs/dbraw/zinc/46/72/15/360467215.db2.gz WVDWPBRMDUDIBE-UHFFFAOYSA-N 1 2 289.379 1.867 20 30 CDEDLO CN(C)C(=O)CCC[N@H+](CCC#N)Cc1ccccn1 ZINC000515581127 360517149 /nfs/dbraw/zinc/51/71/49/360517149.db2.gz KYWZIKGCLIEYKD-UHFFFAOYSA-N 1 2 274.368 1.666 20 30 CDEDLO CN(C)C(=O)CCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000515581127 360517155 /nfs/dbraw/zinc/51/71/55/360517155.db2.gz KYWZIKGCLIEYKD-UHFFFAOYSA-N 1 2 274.368 1.666 20 30 CDEDLO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](C#N)CCC#N)s1 ZINC000516037232 360555502 /nfs/dbraw/zinc/55/55/02/360555502.db2.gz AAZWLKFLBZEDAC-JTQLQIEISA-N 1 2 297.405 1.685 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2oc(CC)nc2C)C1=O ZINC000428971771 360734472 /nfs/dbraw/zinc/73/44/72/360734472.db2.gz ACPFLPFGFGMTIU-GFCCVEGCSA-N 1 2 277.368 1.764 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2oc(CC)nc2C)C1=O ZINC000428971771 360734474 /nfs/dbraw/zinc/73/44/74/360734474.db2.gz ACPFLPFGFGMTIU-GFCCVEGCSA-N 1 2 277.368 1.764 20 30 CDEDLO CCc1ccccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000563220028 360898107 /nfs/dbraw/zinc/89/81/07/360898107.db2.gz DTPROCSBNHIANC-OAHLLOKOSA-N 1 2 259.353 1.823 20 30 CDEDLO Cn1c[nH+]cc1CN1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367142552 361065660 /nfs/dbraw/zinc/06/56/60/361065660.db2.gz XYDIDPQIQOIPNH-INIZCTEOSA-N 1 2 282.347 1.865 20 30 CDEDLO Cc1nscc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330301684 294010117 /nfs/dbraw/zinc/01/01/17/294010117.db2.gz JDICUIQTPDFENO-VIFPVBQESA-N 1 2 262.338 1.968 20 30 CDEDLO CC[C@H](C(=O)N[C@]1(C#N)CC1(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000427895941 361102442 /nfs/dbraw/zinc/10/24/42/361102442.db2.gz ODZKJGCVQLWMKK-IOASZLSFSA-N 1 2 293.411 1.684 20 30 CDEDLO CC[C@H](C(=O)N[C@]1(C#N)CC1(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000427895941 361102443 /nfs/dbraw/zinc/10/24/43/361102443.db2.gz ODZKJGCVQLWMKK-IOASZLSFSA-N 1 2 293.411 1.684 20 30 CDEDLO C[C@@H](C(=O)N1CCCCC1)[N@H+](C)CC(C)(C)C#N ZINC000433303948 361229933 /nfs/dbraw/zinc/22/99/33/361229933.db2.gz LYZZOKYXJXPBFY-LBPRGKRZSA-N 1 2 251.374 1.869 20 30 CDEDLO C[C@@H](C(=O)N1CCCCC1)[N@@H+](C)CC(C)(C)C#N ZINC000433303948 361229940 /nfs/dbraw/zinc/22/99/40/361229940.db2.gz LYZZOKYXJXPBFY-LBPRGKRZSA-N 1 2 251.374 1.869 20 30 CDEDLO C=C1CC[NH+](CC(=O)NCC(=O)c2ccccc2)CC1 ZINC000435057519 361368585 /nfs/dbraw/zinc/36/85/85/361368585.db2.gz QKXKGWFKLGYAKR-UHFFFAOYSA-N 1 2 272.348 1.638 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000159121169 361563381 /nfs/dbraw/zinc/56/33/81/361563381.db2.gz OXDINUKYGDCPHG-UHFFFAOYSA-N 1 2 278.739 1.967 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000159121169 361563386 /nfs/dbraw/zinc/56/33/86/361563386.db2.gz OXDINUKYGDCPHG-UHFFFAOYSA-N 1 2 278.739 1.967 20 30 CDEDLO N#Cc1ccc(NCc2ccc(-n3cc[nH+]c3)nc2)nn1 ZINC000301940007 201270153 /nfs/dbraw/zinc/27/01/53/201270153.db2.gz TZTYZRKZYMTIJZ-UHFFFAOYSA-N 1 2 277.291 1.541 20 30 CDEDLO O=C(NCC1CCSCC1)N1CCn2c[nH+]cc2C1 ZINC000329679493 361705229 /nfs/dbraw/zinc/70/52/29/361705229.db2.gz WAFLQAFVVRNEMO-UHFFFAOYSA-N 1 2 280.397 1.756 20 30 CDEDLO [O-]C(=[NH+]CC1CCSCC1)N1CCn2c[nH+]cc2C1 ZINC000329679493 361705234 /nfs/dbraw/zinc/70/52/34/361705234.db2.gz WAFLQAFVVRNEMO-UHFFFAOYSA-N 1 2 280.397 1.756 20 30 CDEDLO CC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)CC#N)c1 ZINC000639724945 364530356 /nfs/dbraw/zinc/53/03/56/364530356.db2.gz DMTNLKZWQSJWHK-JTQLQIEISA-N 1 2 259.309 1.719 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N(CC)CCC#N)C[C@H](C)O1 ZINC000111274199 364950835 /nfs/dbraw/zinc/95/08/35/364950835.db2.gz SDOILXFHXYLFGI-QWHCGFSZSA-N 1 2 267.373 1.248 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)CCC#N)C[C@H](C)O1 ZINC000111274199 364950839 /nfs/dbraw/zinc/95/08/39/364950839.db2.gz SDOILXFHXYLFGI-QWHCGFSZSA-N 1 2 267.373 1.248 20 30 CDEDLO N#Cc1c(F)cccc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548317396 366890245 /nfs/dbraw/zinc/89/02/45/366890245.db2.gz FOHNEFPDFXVJPO-SNVBAGLBSA-N 1 2 284.294 1.639 20 30 CDEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCOc1ccccc1C#N ZINC000170633680 367024043 /nfs/dbraw/zinc/02/40/43/367024043.db2.gz QFQCIGRETDYMSW-IZDJOXEWSA-N 1 2 292.404 1.778 20 30 CDEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCOc1ccccc1C#N ZINC000170633680 367024051 /nfs/dbraw/zinc/02/40/51/367024051.db2.gz QFQCIGRETDYMSW-IZDJOXEWSA-N 1 2 292.404 1.778 20 30 CDEDLO C[C@H](C(=O)N[C@H](C#N)C(C)(C)C)[NH+]1CCSCC1 ZINC000153392838 367403949 /nfs/dbraw/zinc/40/39/49/367403949.db2.gz MODQQZOAHMMOGW-GHMZBOCLSA-N 1 2 269.414 1.478 20 30 CDEDLO C[C@@H]1CC(F)(F)CC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000528766187 367975685 /nfs/dbraw/zinc/97/56/85/367975685.db2.gz DKMNEDUVVAHJMD-SNVBAGLBSA-N 1 2 271.311 1.668 20 30 CDEDLO C[C@@H]1CC(F)(F)CC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000528766187 367975691 /nfs/dbraw/zinc/97/56/91/367975691.db2.gz DKMNEDUVVAHJMD-SNVBAGLBSA-N 1 2 271.311 1.668 20 30 CDEDLO C=CCN1CC[C@@H](N(C)c2nc(N)c3ccccc3[nH+]2)C1=O ZINC000540973722 368583761 /nfs/dbraw/zinc/58/37/61/368583761.db2.gz LTLPYUAWKGGZMQ-CYBMUJFWSA-N 1 2 297.362 1.265 20 30 CDEDLO CC#CCCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000361510782 368862633 /nfs/dbraw/zinc/86/26/33/368862633.db2.gz LFZQKHNUMJFBTB-UHFFFAOYSA-N 1 2 256.309 1.547 20 30 CDEDLO CC#CCCNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000361648830 368961822 /nfs/dbraw/zinc/96/18/22/368961822.db2.gz UWPJEWIWXNRBNT-KGLIPLIRSA-N 1 2 274.368 1.889 20 30 CDEDLO Cn1ccc(C[NH+]2CCC([C@@H](O)C(=O)NC3CC3)CC2)n1 ZINC000329213604 227356589 /nfs/dbraw/zinc/35/65/89/227356589.db2.gz JSBKJFRTQLGWIP-CQSZACIVSA-N 1 2 292.383 1.112 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C ZINC000565171201 370368974 /nfs/dbraw/zinc/36/89/74/370368974.db2.gz MHXXBRRHDOPEKM-JHJVBQTASA-N 1 2 294.399 1.673 20 30 CDEDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)CCC(C)(C)C#N ZINC000120586287 370424195 /nfs/dbraw/zinc/42/41/95/370424195.db2.gz GXWXKRXVGCOYNQ-NSHDSACASA-N 1 2 260.403 1.681 20 30 CDEDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)CCC(C)(C)C#N ZINC000120586287 370424199 /nfs/dbraw/zinc/42/41/99/370424199.db2.gz GXWXKRXVGCOYNQ-NSHDSACASA-N 1 2 260.403 1.681 20 30 CDEDLO C[C@@H](C[NH+]1CCN(C(=O)CC#N)CC1)C(F)(F)F ZINC000565841544 370550041 /nfs/dbraw/zinc/55/00/41/370550041.db2.gz DNVFDFPPVZKNHJ-VIFPVBQESA-N 1 2 263.263 1.243 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000567595504 371054551 /nfs/dbraw/zinc/05/45/51/371054551.db2.gz KJTWEPXSWZOVSP-NEPJUHHUSA-N 1 2 251.330 1.278 20 30 CDEDLO COc1cccc(NC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000568502613 371226514 /nfs/dbraw/zinc/22/65/14/371226514.db2.gz WXMITYWQSHAPCP-ZDUSSCGKSA-N 1 2 263.341 1.313 20 30 CDEDLO COc1cccc(NC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000568502613 371226519 /nfs/dbraw/zinc/22/65/19/371226519.db2.gz WXMITYWQSHAPCP-ZDUSSCGKSA-N 1 2 263.341 1.313 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1cccs1 ZINC000568181941 371208258 /nfs/dbraw/zinc/20/82/58/371208258.db2.gz DVKSYHFLUNASDO-JTQLQIEISA-N 1 2 251.355 1.646 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc2c(c1)CCC2 ZINC000573376674 371521208 /nfs/dbraw/zinc/52/12/08/371521208.db2.gz XVPGBHGGHMMYMF-INIZCTEOSA-N 1 2 271.364 1.749 20 30 CDEDLO CC#CC[N@@H+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000172715320 372411734 /nfs/dbraw/zinc/41/17/34/372411734.db2.gz GXJTYVGHXCTSLB-UHFFFAOYSA-N 1 2 287.363 1.929 20 30 CDEDLO CC#CC[N@H+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000172715320 372411738 /nfs/dbraw/zinc/41/17/38/372411738.db2.gz GXJTYVGHXCTSLB-UHFFFAOYSA-N 1 2 287.363 1.929 20 30 CDEDLO Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000578632080 372523833 /nfs/dbraw/zinc/52/38/33/372523833.db2.gz KEUFPKHEGLDTBT-MEBBXXQBSA-N 1 2 291.399 1.101 20 30 CDEDLO CN(Cc1c[nH+]c[nH]1)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000579377448 372559477 /nfs/dbraw/zinc/55/94/77/372559477.db2.gz OXSRPSSZKVYSLX-UHFFFAOYSA-N 1 2 296.396 1.645 20 30 CDEDLO CN(Cc1c[nH]c[nH+]1)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000579377448 372559480 /nfs/dbraw/zinc/55/94/80/372559480.db2.gz OXSRPSSZKVYSLX-UHFFFAOYSA-N 1 2 296.396 1.645 20 30 CDEDLO C=C(Br)C[NH+]1CCC(CC(=O)NC)CC1 ZINC000175296771 372672866 /nfs/dbraw/zinc/67/28/66/372672866.db2.gz PMICLJRTUMCZPF-UHFFFAOYSA-N 1 2 275.190 1.743 20 30 CDEDLO Cc1noc([C@@H](C)[NH2+]CC(=O)NCc2ccc(C#N)cc2)n1 ZINC000348097181 372995263 /nfs/dbraw/zinc/99/52/63/372995263.db2.gz TXYRLISCWRVABR-SNVBAGLBSA-N 1 2 299.334 1.217 20 30 CDEDLO CC[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)[C@H]1C)C1CC1 ZINC000329111493 284372744 /nfs/dbraw/zinc/37/27/44/284372744.db2.gz KCEOBPSMJNPRGX-ONGXEEELSA-N 1 2 274.386 1.003 20 30 CDEDLO CC[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)[C@H]1C)C1CC1 ZINC000329111493 284372746 /nfs/dbraw/zinc/37/27/46/284372746.db2.gz KCEOBPSMJNPRGX-ONGXEEELSA-N 1 2 274.386 1.003 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)Cc1noc(C)c1C#N ZINC000348273651 373098150 /nfs/dbraw/zinc/09/81/50/373098150.db2.gz KNGWPZFUYLNDHH-UHFFFAOYSA-N 1 2 286.291 1.117 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)c1ccc(C#N)cc1 ZINC000348391305 373147110 /nfs/dbraw/zinc/14/71/10/373147110.db2.gz HZUKYNBXPDEBFV-UHFFFAOYSA-N 1 2 267.288 1.892 20 30 CDEDLO Cn1c[nH+]c(CCNC(=O)N2CCC(CCC#N)CC2)c1 ZINC000583260884 373441529 /nfs/dbraw/zinc/44/15/29/373441529.db2.gz PJIWROZJPNKFDO-UHFFFAOYSA-N 1 2 289.383 1.688 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3ccon3)CC2)cc1 ZINC000301471579 373896550 /nfs/dbraw/zinc/89/65/50/373896550.db2.gz TZRAVMMZDPTBOL-UHFFFAOYSA-N 1 2 268.320 1.868 20 30 CDEDLO Cn1cc[nH+]c1CN1CCN(c2cc(C#N)ccn2)CC1 ZINC000299564964 373914500 /nfs/dbraw/zinc/91/45/00/373914500.db2.gz GGAVXFKNOBZTAD-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO Cc1[nH+]c2ccccn2c1CNc1n[nH]cc1C#N ZINC000358009700 373942415 /nfs/dbraw/zinc/94/24/15/373942415.db2.gz XSJONDKQFADBEG-UHFFFAOYSA-N 1 2 252.281 1.272 20 30 CDEDLO N#Cc1csc(C[NH2+]Cc2ccccc2OCCO)n1 ZINC000352848453 374362642 /nfs/dbraw/zinc/36/26/42/374362642.db2.gz VVLWMKDJCLNKNY-UHFFFAOYSA-N 1 2 289.360 1.676 20 30 CDEDLO Cn1cc(C[NH2+][C@H](CO)c2c(F)cccc2F)cc1C#N ZINC000276724925 374745608 /nfs/dbraw/zinc/74/56/08/374745608.db2.gz CBBDBAQWLONWFU-CQSZACIVSA-N 1 2 291.301 1.998 20 30 CDEDLO CC[N@H+](CC(=O)NCC#N)Cc1ccc(OC)cc1OC ZINC000343032856 374867142 /nfs/dbraw/zinc/86/71/42/374867142.db2.gz IBGZFJNETSFRGO-UHFFFAOYSA-N 1 2 291.351 1.165 20 30 CDEDLO CC[N@@H+](CC(=O)NCC#N)Cc1ccc(OC)cc1OC ZINC000343032856 374867148 /nfs/dbraw/zinc/86/71/48/374867148.db2.gz IBGZFJNETSFRGO-UHFFFAOYSA-N 1 2 291.351 1.165 20 30 CDEDLO CSC[C@H](O)C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000331150643 374895758 /nfs/dbraw/zinc/89/57/58/374895758.db2.gz IHWJLIYZNZBRBM-HUUCEWRRSA-N 1 2 292.404 1.655 20 30 CDEDLO CSC[C@H](O)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000331150643 374895759 /nfs/dbraw/zinc/89/57/59/374895759.db2.gz IHWJLIYZNZBRBM-HUUCEWRRSA-N 1 2 292.404 1.655 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000282234499 375073959 /nfs/dbraw/zinc/07/39/59/375073959.db2.gz ISCATICVZXLJOW-HNNXBMFYSA-N 1 2 292.310 1.654 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000282234499 375073973 /nfs/dbraw/zinc/07/39/73/375073973.db2.gz ISCATICVZXLJOW-HNNXBMFYSA-N 1 2 292.310 1.654 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CCNC1=O ZINC000334385701 375168009 /nfs/dbraw/zinc/16/80/09/375168009.db2.gz MZXUZYASUSAABC-GFCCVEGCSA-N 1 2 263.728 1.532 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CCNC1=O ZINC000334385701 375168014 /nfs/dbraw/zinc/16/80/14/375168014.db2.gz MZXUZYASUSAABC-GFCCVEGCSA-N 1 2 263.728 1.532 20 30 CDEDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000132357879 375462757 /nfs/dbraw/zinc/46/27/57/375462757.db2.gz UZELXEVIDPCQPJ-UHFFFAOYSA-N 1 2 288.332 1.563 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2c2ncc[nH]2)C1=O ZINC000328815486 375963365 /nfs/dbraw/zinc/96/33/65/375963365.db2.gz NQGZAPIRHIOBSN-RYUDHWBXSA-N 1 2 260.341 1.334 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2c2ncc[nH]2)C1=O ZINC000328815486 375963372 /nfs/dbraw/zinc/96/33/72/375963372.db2.gz NQGZAPIRHIOBSN-RYUDHWBXSA-N 1 2 260.341 1.334 20 30 CDEDLO C=CCN1CC[C@H](N2CCC[C@H]2c2[nH]cc[nH+]2)C1=O ZINC000328815486 375963377 /nfs/dbraw/zinc/96/33/77/375963377.db2.gz NQGZAPIRHIOBSN-RYUDHWBXSA-N 1 2 260.341 1.334 20 30 CDEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000048995729 375914151 /nfs/dbraw/zinc/91/41/51/375914151.db2.gz NYTKJEJGGLHPAI-UHFFFAOYSA-N 1 2 291.376 1.027 20 30 CDEDLO CC[C@]1(C)CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000328601633 375920597 /nfs/dbraw/zinc/92/05/97/375920597.db2.gz FVQGIUPAZKTCJT-IUODEOHRSA-N 1 2 292.383 1.613 20 30 CDEDLO Cc1ccncc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000328946686 376017793 /nfs/dbraw/zinc/01/77/93/376017793.db2.gz MJWDDXMFEIPEHS-SNVBAGLBSA-N 1 2 256.309 1.975 20 30 CDEDLO Cc1ccncc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000328946686 376017799 /nfs/dbraw/zinc/01/77/99/376017799.db2.gz MJWDDXMFEIPEHS-SNVBAGLBSA-N 1 2 256.309 1.975 20 30 CDEDLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000245666317 376132398 /nfs/dbraw/zinc/13/23/98/376132398.db2.gz HAUGSYWMPZGNAX-BLLLJJGKSA-N 1 2 286.379 1.883 20 30 CDEDLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000245666317 376132405 /nfs/dbraw/zinc/13/24/05/376132405.db2.gz HAUGSYWMPZGNAX-BLLLJJGKSA-N 1 2 286.379 1.883 20 30 CDEDLO CC[NH+]1CCN(C(=O)[C@H](C)SCC2(C#N)CCC2)CC1 ZINC000419582864 376148190 /nfs/dbraw/zinc/14/81/90/376148190.db2.gz NRPLPQXPVTZZKC-ZDUSSCGKSA-N 1 2 295.452 1.966 20 30 CDEDLO Cc1onc(CC(=O)Nc2cc[nH+]cc2C)c1C#N ZINC000354473528 376727561 /nfs/dbraw/zinc/72/75/61/376727561.db2.gz CHSQYPKFNOHNOR-UHFFFAOYSA-N 1 2 256.265 1.161 20 30 CDEDLO COc1cc[nH+]cc1NC(=O)Cc1noc(C)c1C#N ZINC000354409542 376715776 /nfs/dbraw/zinc/71/57/76/376715776.db2.gz QHMQSKNMETYRTR-UHFFFAOYSA-N 1 2 272.264 1.440 20 30 CDEDLO CC(C)OC[C@H](CO)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000433249824 248016787 /nfs/dbraw/zinc/01/67/87/248016787.db2.gz YIAJFYOPGXQOPZ-HNNXBMFYSA-N 1 2 280.343 1.915 20 30 CDEDLO CC(C)OC[C@H](CO)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000433249824 248016790 /nfs/dbraw/zinc/01/67/90/248016790.db2.gz YIAJFYOPGXQOPZ-HNNXBMFYSA-N 1 2 280.343 1.915 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCC1CCCC1 ZINC000572069020 377682844 /nfs/dbraw/zinc/68/28/44/377682844.db2.gz HKQAGWCYULXHMO-CQSZACIVSA-N 1 2 251.374 1.917 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC ZINC000093050374 378027644 /nfs/dbraw/zinc/02/76/44/378027644.db2.gz SGWWRVDWUKVISW-AWEZNQCLSA-N 1 2 272.348 1.409 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC ZINC000093050374 378027649 /nfs/dbraw/zinc/02/76/49/378027649.db2.gz SGWWRVDWUKVISW-AWEZNQCLSA-N 1 2 272.348 1.409 20 30 CDEDLO C#CCCOc1ccc(C[N@@H+]2CCNC(=O)C2(C)C)cc1 ZINC000093084669 378043505 /nfs/dbraw/zinc/04/35/05/378043505.db2.gz LKJMRWOOLCNSAA-UHFFFAOYSA-N 1 2 286.375 1.799 20 30 CDEDLO C#CCCOc1ccc(C[N@H+]2CCNC(=O)C2(C)C)cc1 ZINC000093084669 378043507 /nfs/dbraw/zinc/04/35/07/378043507.db2.gz LKJMRWOOLCNSAA-UHFFFAOYSA-N 1 2 286.375 1.799 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)cc1 ZINC000282760762 378071108 /nfs/dbraw/zinc/07/11/08/378071108.db2.gz OVAWZZZWLFQBFP-HNNXBMFYSA-N 1 2 293.388 1.318 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)cc1 ZINC000282760762 378071113 /nfs/dbraw/zinc/07/11/13/378071113.db2.gz OVAWZZZWLFQBFP-HNNXBMFYSA-N 1 2 293.388 1.318 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000192236996 378178367 /nfs/dbraw/zinc/17/83/67/378178367.db2.gz IFOVHKBVWGITIY-OAHLLOKOSA-N 1 2 299.399 1.914 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000192236996 378178375 /nfs/dbraw/zinc/17/83/75/378178375.db2.gz IFOVHKBVWGITIY-OAHLLOKOSA-N 1 2 299.399 1.914 20 30 CDEDLO C#Cc1ccc(C[N@H+](CCOC)CC(=O)OC)cc1 ZINC000290189540 378365839 /nfs/dbraw/zinc/36/58/39/378365839.db2.gz ZWUAPLKTGLXXIJ-UHFFFAOYSA-N 1 2 261.321 1.289 20 30 CDEDLO C#Cc1ccc(C[N@@H+](CCOC)CC(=O)OC)cc1 ZINC000290189540 378365843 /nfs/dbraw/zinc/36/58/43/378365843.db2.gz ZWUAPLKTGLXXIJ-UHFFFAOYSA-N 1 2 261.321 1.289 20 30 CDEDLO C#CCN(C)C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000291302307 378442771 /nfs/dbraw/zinc/44/27/71/378442771.db2.gz OZDUKIOLAODRDT-UHFFFAOYSA-N 1 2 256.309 1.417 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCc1ccc(C)c(F)c1 ZINC000293090862 378538403 /nfs/dbraw/zinc/53/84/03/378538403.db2.gz KIUJLNVHTFXBDF-UHFFFAOYSA-N 1 2 262.328 1.705 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCc1ccc(C)c(F)c1 ZINC000293090862 378538410 /nfs/dbraw/zinc/53/84/10/378538410.db2.gz KIUJLNVHTFXBDF-UHFFFAOYSA-N 1 2 262.328 1.705 20 30 CDEDLO C#C[C@@H](NC(=O)NCc1c[nH+]ccc1OC)C(C)(C)C ZINC000293295263 378553522 /nfs/dbraw/zinc/55/35/22/378553522.db2.gz IARJWYLPJFHNBJ-CYBMUJFWSA-N 1 2 275.352 1.937 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000293558068 378572864 /nfs/dbraw/zinc/57/28/64/378572864.db2.gz RTOXRGURLVGQGG-UHFFFAOYSA-N 1 2 280.393 1.709 20 30 CDEDLO CC[C@@H]([NH2+]Cc1ncn(C)n1)c1ccc(C#N)cc1 ZINC000278611000 194067939 /nfs/dbraw/zinc/06/79/39/194067939.db2.gz FQINZJWBDNYOPH-CYBMUJFWSA-N 1 2 255.325 1.928 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cn(C)nc2C)n1 ZINC000279345872 194393839 /nfs/dbraw/zinc/39/38/39/194393839.db2.gz FOHUULUNXBNCCV-UHFFFAOYSA-N 1 2 271.368 1.580 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2cn(C)nc2C)n1 ZINC000279345872 194393841 /nfs/dbraw/zinc/39/38/41/194393841.db2.gz FOHUULUNXBNCCV-UHFFFAOYSA-N 1 2 271.368 1.580 20 30 CDEDLO CNc1ccc(C#N)cc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492880883 253315625 /nfs/dbraw/zinc/31/56/25/253315625.db2.gz NWXFKBLSZUCXJR-HWKANZROSA-N 1 2 267.292 1.975 20 30 CDEDLO Cn1cc([C@@H](CO)[NH2+]Cc2cccc(C#N)c2F)cn1 ZINC000494798928 253662016 /nfs/dbraw/zinc/66/20/16/253662016.db2.gz HANOPTGWUJHNLN-CYBMUJFWSA-N 1 2 274.299 1.254 20 30 CDEDLO C#Cc1ccc(C[N@H+](CC)CCS(C)(=O)=O)cc1 ZINC000289021477 197215380 /nfs/dbraw/zinc/21/53/80/197215380.db2.gz ARDPOPHFUKMFBQ-UHFFFAOYSA-N 1 2 265.378 1.534 20 30 CDEDLO C#Cc1ccc(C[N@@H+](CC)CCS(C)(=O)=O)cc1 ZINC000289021477 197215382 /nfs/dbraw/zinc/21/53/82/197215382.db2.gz ARDPOPHFUKMFBQ-UHFFFAOYSA-N 1 2 265.378 1.534 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnn(C(C)(C)C)c2)C1=O ZINC000281241762 195163090 /nfs/dbraw/zinc/16/30/90/195163090.db2.gz LTRUTUKXGIVANW-CQSZACIVSA-N 1 2 290.411 1.857 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnn(C(C)(C)C)c2)C1=O ZINC000281241762 195163093 /nfs/dbraw/zinc/16/30/93/195163093.db2.gz LTRUTUKXGIVANW-CQSZACIVSA-N 1 2 290.411 1.857 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cncc(F)c2)C1=O ZINC000281342662 195204163 /nfs/dbraw/zinc/20/41/63/195204163.db2.gz SWWKKWHDUDKBMP-CYBMUJFWSA-N 1 2 263.316 1.439 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cncc(F)c2)C1=O ZINC000281342662 195204164 /nfs/dbraw/zinc/20/41/64/195204164.db2.gz SWWKKWHDUDKBMP-CYBMUJFWSA-N 1 2 263.316 1.439 20 30 CDEDLO C=CCN1CC[C@H]([NH2+][C@@H](COC)c2ccc(C)o2)C1=O ZINC000281447020 195243791 /nfs/dbraw/zinc/24/37/91/195243791.db2.gz UKLZDVOVYDHPAW-STQMWFEESA-N 1 2 278.352 1.652 20 30 CDEDLO C=CCN1CC[C@@H]([NH2+][C@@H](COC)c2ccc(CC)o2)C1=O ZINC000281478333 195256652 /nfs/dbraw/zinc/25/66/52/195256652.db2.gz WLKJUZQVXKDXFW-KGLIPLIRSA-N 1 2 292.379 1.906 20 30 CDEDLO CC#CC[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000336712638 262382794 /nfs/dbraw/zinc/38/27/94/262382794.db2.gz ODLCQZCEMQKGDZ-UHFFFAOYSA-N 1 2 251.351 1.545 20 30 CDEDLO CC#CC[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000336712638 262382796 /nfs/dbraw/zinc/38/27/96/262382796.db2.gz ODLCQZCEMQKGDZ-UHFFFAOYSA-N 1 2 251.351 1.545 20 30 CDEDLO Cc1oc(-c2cccs2)nc1CO[NH+]=C(N)CCO ZINC000121405100 390885732 /nfs/dbraw/zinc/88/57/32/390885732.db2.gz MDCRIOHVJHFZLT-UHFFFAOYSA-N 1 2 281.337 1.883 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000093221331 390900822 /nfs/dbraw/zinc/90/08/22/390900822.db2.gz QHHHNAALHOZACP-UHFFFAOYSA-N 1 2 286.379 1.808 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000093221331 390900825 /nfs/dbraw/zinc/90/08/25/390900825.db2.gz QHHHNAALHOZACP-UHFFFAOYSA-N 1 2 286.379 1.808 20 30 CDEDLO N#CCCN(CC1CC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156519470 390922771 /nfs/dbraw/zinc/92/27/71/390922771.db2.gz ALRNHWVCPIVNAL-CYBMUJFWSA-N 1 2 272.352 1.598 20 30 CDEDLO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000188537465 390966966 /nfs/dbraw/zinc/96/69/66/390966966.db2.gz GBERHDYLHSUQNF-AWEZNQCLSA-N 1 2 287.363 1.676 20 30 CDEDLO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000188537465 390966967 /nfs/dbraw/zinc/96/69/67/390966967.db2.gz GBERHDYLHSUQNF-AWEZNQCLSA-N 1 2 287.363 1.676 20 30 CDEDLO C=CCn1cc(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)nn1 ZINC000648411098 390994674 /nfs/dbraw/zinc/99/46/74/390994674.db2.gz WANFTYDJDAJGBS-VHSXEESVSA-N 1 2 272.312 1.096 20 30 CDEDLO CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3nccnc3c2)C1 ZINC000329512497 391001368 /nfs/dbraw/zinc/00/13/68/391001368.db2.gz LASSNYHWLXQHPR-GFCCVEGCSA-N 1 2 285.351 1.814 20 30 CDEDLO CC[N@H+]1CCC[C@@H](NC(=O)c2cnc3nccnc3c2)C1 ZINC000329512497 391001370 /nfs/dbraw/zinc/00/13/70/391001370.db2.gz LASSNYHWLXQHPR-GFCCVEGCSA-N 1 2 285.351 1.814 20 30 CDEDLO C=C(C)C[N@@H+](C)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000351093645 391038072 /nfs/dbraw/zinc/03/80/72/391038072.db2.gz BFXHKNBOKCICFP-UHFFFAOYSA-N 1 2 279.365 1.516 20 30 CDEDLO C=C(C)C[N@H+](C)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000351093645 391038075 /nfs/dbraw/zinc/03/80/75/391038075.db2.gz BFXHKNBOKCICFP-UHFFFAOYSA-N 1 2 279.365 1.516 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000048921785 391070819 /nfs/dbraw/zinc/07/08/19/391070819.db2.gz FIYDPFKFZVNNIC-HNNXBMFYSA-N 1 2 269.348 1.801 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000048921785 391070821 /nfs/dbraw/zinc/07/08/21/391070821.db2.gz FIYDPFKFZVNNIC-HNNXBMFYSA-N 1 2 269.348 1.801 20 30 CDEDLO CO[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329710188 391092205 /nfs/dbraw/zinc/09/22/05/391092205.db2.gz MAIPWJGDPXPVBE-WDEREUQCSA-N 1 2 278.356 1.292 20 30 CDEDLO CO[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329710188 391092210 /nfs/dbraw/zinc/09/22/10/391092210.db2.gz MAIPWJGDPXPVBE-WDEREUQCSA-N 1 2 278.356 1.292 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCO[C@H](C2CCC2)C1)C1CC1 ZINC000334041229 391127301 /nfs/dbraw/zinc/12/73/01/391127301.db2.gz OLLWTMYNLZITCP-GOEBONIOSA-N 1 2 291.395 1.296 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCO[C@H](C2CCC2)C1)C1CC1 ZINC000334041229 391127303 /nfs/dbraw/zinc/12/73/03/391127303.db2.gz OLLWTMYNLZITCP-GOEBONIOSA-N 1 2 291.395 1.296 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373844744 391135089 /nfs/dbraw/zinc/13/50/89/391135089.db2.gz PXTWQJJTXGDQCK-IPYPFGDCSA-N 1 2 289.379 1.543 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373844745 391135143 /nfs/dbraw/zinc/13/51/43/391135143.db2.gz PXTWQJJTXGDQCK-NFAWXSAZSA-N 1 2 289.379 1.543 20 30 CDEDLO C[C@H](C(=O)NCCc1cccs1)[N@@H+](C)C[C@H](C)C#N ZINC000265165350 391152181 /nfs/dbraw/zinc/15/21/81/391152181.db2.gz XCJHHQATMZDEGA-VXGBXAGGSA-N 1 2 279.409 1.887 20 30 CDEDLO C[C@H](C(=O)NCCc1cccs1)[N@H+](C)C[C@H](C)C#N ZINC000265165350 391152183 /nfs/dbraw/zinc/15/21/83/391152183.db2.gz XCJHHQATMZDEGA-VXGBXAGGSA-N 1 2 279.409 1.887 20 30 CDEDLO CCC[N@@H+](CC#N)CCC(=O)NC(=O)NCC(F)(F)F ZINC000177019191 391162089 /nfs/dbraw/zinc/16/20/89/391162089.db2.gz HCKGSGQOXDGZHU-UHFFFAOYSA-N 1 2 294.277 1.000 20 30 CDEDLO CCC[N@H+](CC#N)CCC(=O)NC(=O)NCC(F)(F)F ZINC000177019191 391162092 /nfs/dbraw/zinc/16/20/92/391162092.db2.gz HCKGSGQOXDGZHU-UHFFFAOYSA-N 1 2 294.277 1.000 20 30 CDEDLO Cc1nnc([C@H](C)O[NH+]=C(N)[C@H](C)OCC(C)C)o1 ZINC000266209875 391171977 /nfs/dbraw/zinc/17/19/77/391171977.db2.gz OASUTJCWGODJHV-IUCAKERBSA-N 1 2 270.333 1.789 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000345372855 391190978 /nfs/dbraw/zinc/19/09/78/391190978.db2.gz BSIMBUIUEBCCFL-ZIAGYGMSSA-N 1 2 284.400 1.147 20 30 CDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C1(C#N)CCCC1 ZINC000376222037 391218758 /nfs/dbraw/zinc/21/87/58/391218758.db2.gz XFLQPOUIDVLVEE-UONOGXRCSA-N 1 2 291.395 1.392 20 30 CDEDLO Cc1nnc(CO[NH+]=C(N)Cc2ccccc2Cl)n1C ZINC000181880327 391227881 /nfs/dbraw/zinc/22/78/81/391227881.db2.gz GXQAMTOWDWUAGG-UHFFFAOYSA-N 1 2 293.758 1.808 20 30 CDEDLO C=CCOCC[N@@H+]1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000339085829 391249434 /nfs/dbraw/zinc/24/94/34/391249434.db2.gz XSPUYEYCRUVXIW-OAHLLOKOSA-N 1 2 274.364 1.232 20 30 CDEDLO C=CCOCC[N@H+]1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000339085829 391249435 /nfs/dbraw/zinc/24/94/35/391249435.db2.gz XSPUYEYCRUVXIW-OAHLLOKOSA-N 1 2 274.364 1.232 20 30 CDEDLO NC(=[NH+]OCCCO)c1ccc(N2CCCCC2)nc1 ZINC000270810081 391281024 /nfs/dbraw/zinc/28/10/24/391281024.db2.gz WHVYRTJSLJSRGA-UHFFFAOYSA-N 1 2 278.356 1.091 20 30 CDEDLO C=CC[C@@H](C)NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000339535564 391312469 /nfs/dbraw/zinc/31/24/69/391312469.db2.gz JVKWERIKTKLUDY-VXGBXAGGSA-N 1 2 262.357 1.884 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCCCC#N)C1CC1 ZINC000345959831 391324435 /nfs/dbraw/zinc/32/44/35/391324435.db2.gz ZMEBNFSTYYGYEW-LLVKDONJSA-N 1 2 261.329 1.474 20 30 CDEDLO Fc1ccc(C#CCN2CCn3c[nH+]cc3C2)cc1 ZINC000647939685 391407156 /nfs/dbraw/zinc/40/71/56/391407156.db2.gz XGBLHQCBPXMBKQ-UHFFFAOYSA-N 1 2 255.296 1.890 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000339759398 391350187 /nfs/dbraw/zinc/35/01/87/391350187.db2.gz MMLJFUGQEFXQIW-MGPQQGTHSA-N 1 2 250.386 1.882 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000339759398 391350188 /nfs/dbraw/zinc/35/01/88/391350188.db2.gz MMLJFUGQEFXQIW-MGPQQGTHSA-N 1 2 250.386 1.882 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCCOc1cccc(Cl)c1 ZINC000339764628 391353364 /nfs/dbraw/zinc/35/33/64/391353364.db2.gz WDMNHROKVOVHGF-UHFFFAOYSA-N 1 2 294.782 1.790 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCCOc1cccc(Cl)c1 ZINC000339764628 391353368 /nfs/dbraw/zinc/35/33/68/391353368.db2.gz WDMNHROKVOVHGF-UHFFFAOYSA-N 1 2 294.782 1.790 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1CCC(C)(C)C#N ZINC000346988962 391381756 /nfs/dbraw/zinc/38/17/56/391381756.db2.gz LJVZTGWLVHLZCR-NWDGAFQWSA-N 1 2 268.357 1.579 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1CCC(C)(C)C#N ZINC000346988962 391381759 /nfs/dbraw/zinc/38/17/59/391381759.db2.gz LJVZTGWLVHLZCR-NWDGAFQWSA-N 1 2 268.357 1.579 20 30 CDEDLO CN1CCOC[C@@H]1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328959648 391399327 /nfs/dbraw/zinc/39/93/27/391399327.db2.gz KBYQUKARCDOYJJ-VXGBXAGGSA-N 1 2 278.356 1.048 20 30 CDEDLO C=C[C@H](C)NC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411307943 391428442 /nfs/dbraw/zinc/42/84/42/391428442.db2.gz YOUKJBWNHNXFOB-VIFPVBQESA-N 1 2 261.325 1.636 20 30 CDEDLO Cc1cc(C)c(NC(=O)C(=O)NCC(C)(C)C#N)c(C)[nH+]1 ZINC000411346943 391434490 /nfs/dbraw/zinc/43/44/90/391434490.db2.gz AATHHUKCEQTLNP-UHFFFAOYSA-N 1 2 288.351 1.611 20 30 CDEDLO CCc1noc(C)c1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330618736 391460115 /nfs/dbraw/zinc/46/01/15/391460115.db2.gz HSADTFZAFOAXMI-SNVBAGLBSA-N 1 2 281.356 1.571 20 30 CDEDLO CCc1noc(C)c1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330618736 391460118 /nfs/dbraw/zinc/46/01/18/391460118.db2.gz HSADTFZAFOAXMI-SNVBAGLBSA-N 1 2 281.356 1.571 20 30 CDEDLO C#C[C@H](NC(=O)C1([NH+]2CCOCC2)CCC1)C(C)C ZINC000367169804 391415102 /nfs/dbraw/zinc/41/51/02/391415102.db2.gz BDYSXJYQTZKIJR-ZDUSSCGKSA-N 1 2 264.369 1.015 20 30 CDEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411609520 391485403 /nfs/dbraw/zinc/48/54/03/391485403.db2.gz XEHRISYSSIPTOC-UONOGXRCSA-N 1 2 294.395 1.849 20 30 CDEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411609520 391485405 /nfs/dbraw/zinc/48/54/05/391485405.db2.gz XEHRISYSSIPTOC-UONOGXRCSA-N 1 2 294.395 1.849 20 30 CDEDLO C[C@H](C#N)CN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000366284759 391509349 /nfs/dbraw/zinc/50/93/49/391509349.db2.gz OUPDDEUOHWHQIG-OCCSQVGLSA-N 1 2 279.384 1.248 20 30 CDEDLO C[C@H](C#N)CN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000366284759 391509352 /nfs/dbraw/zinc/50/93/52/391509352.db2.gz OUPDDEUOHWHQIG-OCCSQVGLSA-N 1 2 279.384 1.248 20 30 CDEDLO C[C@H](Nc1ncc(C#N)cc1F)[C@H](C)[NH+]1CCOCC1 ZINC000413121760 391589234 /nfs/dbraw/zinc/58/92/34/391589234.db2.gz HRZRMTPMCTZFMB-QWRGUYRKSA-N 1 2 278.331 1.613 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)CCCC#N)CCC2 ZINC000360375894 391657863 /nfs/dbraw/zinc/65/78/63/391657863.db2.gz KYKKTSAVMCGLJJ-LBPRGKRZSA-N 1 2 260.341 1.879 20 30 CDEDLO C=CCN1CC[C@H](N2CC[NH+](Cc3ccco3)CC2)C1=O ZINC000281983296 391668010 /nfs/dbraw/zinc/66/80/10/391668010.db2.gz MCDIDUYIXGCVNW-HNNXBMFYSA-N 1 2 289.379 1.184 20 30 CDEDLO C=CCN1CC[C@H]([NH+]2CCN(Cc3ccco3)CC2)C1=O ZINC000281983296 391668012 /nfs/dbraw/zinc/66/80/12/391668012.db2.gz MCDIDUYIXGCVNW-HNNXBMFYSA-N 1 2 289.379 1.184 20 30 CDEDLO N#Cc1cccc([C@@H]2C[N@H+]([C@H]3CCCCNC3=O)CCO2)c1 ZINC000341805896 130068058 /nfs/dbraw/zinc/06/80/58/130068058.db2.gz COODNBRCTLHPJR-HOTGVXAUSA-N 1 2 299.374 1.600 20 30 CDEDLO N#Cc1cccc([C@@H]2C[N@@H+]([C@H]3CCCCNC3=O)CCO2)c1 ZINC000341805896 130068060 /nfs/dbraw/zinc/06/80/60/130068060.db2.gz COODNBRCTLHPJR-HOTGVXAUSA-N 1 2 299.374 1.600 20 30 CDEDLO O=C(NCC[C@H]1CCOC1)N1CCn2cc[nH+]c2C1 ZINC000329765495 391774831 /nfs/dbraw/zinc/77/48/31/391774831.db2.gz XAZHSNCLOILLQL-NSHDSACASA-N 1 2 264.329 1.039 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)N[C@@H]1CCSC1)[NH+]1CCOCC1 ZINC000329772476 391777375 /nfs/dbraw/zinc/77/73/75/391777375.db2.gz KPVKIKPPZORIBO-QJPTWQEYSA-N 1 2 287.429 1.105 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)Nc2sccc2C#N)C[C@H]1CO ZINC000190922598 130162265 /nfs/dbraw/zinc/16/22/65/130162265.db2.gz RSZCGNVNHXOKRA-KOLCDFICSA-N 1 2 279.365 1.118 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)C[C@H]1CO ZINC000190922598 130162267 /nfs/dbraw/zinc/16/22/67/130162267.db2.gz RSZCGNVNHXOKRA-KOLCDFICSA-N 1 2 279.365 1.118 20 30 CDEDLO CC(C)(CNC(=O)N[C@@H]1CCSC1)[NH+]1CCOCC1 ZINC000329796438 391780874 /nfs/dbraw/zinc/78/08/74/391780874.db2.gz GYFOZWCEBWVAHT-LLVKDONJSA-N 1 2 287.429 1.106 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1csc(=O)[nH]1 ZINC000329917474 391798613 /nfs/dbraw/zinc/79/86/13/391798613.db2.gz QVNOZLVCHFYJIJ-UHFFFAOYSA-N 1 2 285.369 1.264 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1csc(=O)[nH]1 ZINC000329917474 391798616 /nfs/dbraw/zinc/79/86/16/391798616.db2.gz QVNOZLVCHFYJIJ-UHFFFAOYSA-N 1 2 285.369 1.264 20 30 CDEDLO Cc1cccnc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330312426 391826769 /nfs/dbraw/zinc/82/67/69/391826769.db2.gz OHSASARHWWELKF-NSHDSACASA-N 1 2 256.309 1.906 20 30 CDEDLO N#CCCN(Cc1ccco1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000372170341 391840219 /nfs/dbraw/zinc/84/02/19/391840219.db2.gz QUQFRWSZJCFLFK-CYBMUJFWSA-N 1 2 298.346 1.981 20 30 CDEDLO C=CCOCC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000648710848 392374818 /nfs/dbraw/zinc/37/48/18/392374818.db2.gz JMKSUJLGJYCWMI-UHFFFAOYSA-N 1 2 273.336 1.504 20 30 CDEDLO Cc1[nH+]ccn1CCNC(=O)c1ccc(C#N)c(O)c1 ZINC000442619608 392437356 /nfs/dbraw/zinc/43/73/56/392437356.db2.gz KNQHMVYYXWHHCT-UHFFFAOYSA-N 1 2 270.292 1.199 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNc1ncc(C#N)cc1F ZINC000413126063 392827244 /nfs/dbraw/zinc/82/72/44/392827244.db2.gz SGSPCJYTLTYANE-SNVBAGLBSA-N 1 2 264.304 1.225 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNc1ncc(C#N)cc1F ZINC000413126063 392827250 /nfs/dbraw/zinc/82/72/50/392827250.db2.gz SGSPCJYTLTYANE-SNVBAGLBSA-N 1 2 264.304 1.225 20 30 CDEDLO Cn1cc[nH+]c1CNc1ncc2c(c1C#N)CCC2 ZINC000520800540 392859783 /nfs/dbraw/zinc/85/97/83/392859783.db2.gz WKRYKXWKXKWKRM-UHFFFAOYSA-N 1 2 253.309 1.788 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Nc1c(C#N)cccc1[N+](=O)[O-] ZINC000425204779 392994114 /nfs/dbraw/zinc/99/41/14/392994114.db2.gz HZWVEJBHSVZECE-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO Cc1cc(NCCCNC(=O)C2CCC2)c(C#N)c[nH+]1 ZINC000425240709 393001892 /nfs/dbraw/zinc/00/18/92/393001892.db2.gz ZASSJEVZVRUBTK-UHFFFAOYSA-N 1 2 272.352 1.402 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)c(F)c1 ZINC000494319914 393230142 /nfs/dbraw/zinc/23/01/42/393230142.db2.gz WFRSLYJCNHIJNN-ZDUSSCGKSA-N 1 2 289.310 1.724 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)c(F)c1 ZINC000494319914 393230151 /nfs/dbraw/zinc/23/01/51/393230151.db2.gz WFRSLYJCNHIJNN-ZDUSSCGKSA-N 1 2 289.310 1.724 20 30 CDEDLO Cc1ccc([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)nc1 ZINC000330261120 292126389 /nfs/dbraw/zinc/12/63/89/292126389.db2.gz UALZPSGMYJTVEY-NSHDSACASA-N 1 2 271.324 1.927 20 30 CDEDLO N#Cc1cc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)c[nH]1 ZINC000334186882 149339641 /nfs/dbraw/zinc/33/96/41/149339641.db2.gz GYGPYGQIBFXXCH-OAHLLOKOSA-N 1 2 298.321 1.812 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2ccccc2)nn1 ZINC000656446060 413257877 /nfs/dbraw/zinc/25/78/77/413257877.db2.gz GBLHTZSYCIYMRM-CYBMUJFWSA-N 1 2 297.362 1.591 20 30 CDEDLO N#Cc1ccccc1CN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353897293 156149792 /nfs/dbraw/zinc/14/97/92/156149792.db2.gz HTNFNXPBDOVKJO-UHFFFAOYSA-N 1 2 281.363 1.599 20 30 CDEDLO C=CCN(C(=O)N[C@@H](C)Cn1cc[nH+]c1)[C@H](C)COC ZINC000656541594 413394468 /nfs/dbraw/zinc/39/44/68/413394468.db2.gz PVPSCHDFFYETKM-QWHCGFSZSA-N 1 2 280.372 1.504 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNc2nccc(C)c2C#N)CCO1 ZINC000362683081 159212897 /nfs/dbraw/zinc/21/28/97/159212897.db2.gz JYHLBWSWCGXMPF-CYBMUJFWSA-N 1 2 274.368 1.784 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNc2nccc(C)c2C#N)CCO1 ZINC000362683081 159212900 /nfs/dbraw/zinc/21/29/00/159212900.db2.gz JYHLBWSWCGXMPF-CYBMUJFWSA-N 1 2 274.368 1.784 20 30 CDEDLO Cn1nnnc1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000371556753 160025881 /nfs/dbraw/zinc/02/58/81/160025881.db2.gz DCMBNFCKKXENGA-UHFFFAOYSA-N 1 2 298.350 1.125 20 30 CDEDLO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000035179247 172032585 /nfs/dbraw/zinc/03/25/85/172032585.db2.gz JPJYUYQCNAPFFF-ZDUSSCGKSA-N 1 2 264.350 1.177 20 30 CDEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000035179247 172032587 /nfs/dbraw/zinc/03/25/87/172032587.db2.gz JPJYUYQCNAPFFF-ZDUSSCGKSA-N 1 2 264.350 1.177 20 30 CDEDLO C=CC[N@@H+](Cc1nc(CC)cc(=O)[nH]1)[C@H](C)COC ZINC000661242447 413913509 /nfs/dbraw/zinc/91/35/09/413913509.db2.gz PDNXYJQUKQTQMW-LLVKDONJSA-N 1 2 265.357 1.768 20 30 CDEDLO C=CC[N@H+](Cc1nc(CC)cc(=O)[nH]1)[C@H](C)COC ZINC000661242447 413913515 /nfs/dbraw/zinc/91/35/15/413913515.db2.gz PDNXYJQUKQTQMW-LLVKDONJSA-N 1 2 265.357 1.768 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H](C)C(=O)Nc2ccccc2)nn1 ZINC000657371297 414246882 /nfs/dbraw/zinc/24/68/82/414246882.db2.gz PXRIFHMVHALAMC-ZDUSSCGKSA-N 1 2 299.378 1.971 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2cc(CC)no2)nn1 ZINC000657373070 414250371 /nfs/dbraw/zinc/25/03/71/414250371.db2.gz PBVUBSTWZPMVJG-UHFFFAOYSA-N 1 2 261.329 1.694 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)nn1 ZINC000657498343 414398556 /nfs/dbraw/zinc/39/85/56/414398556.db2.gz QMSAIFPTQNVJGV-ZDUSSCGKSA-N 1 2 291.399 1.343 20 30 CDEDLO N#CC1(C[N@H+]2CCC[C@H]2C(=O)N2CCSCC2)CCC1 ZINC000334776269 225317663 /nfs/dbraw/zinc/31/76/63/225317663.db2.gz YITDQVRBNVGIHE-ZDUSSCGKSA-N 1 2 293.436 1.720 20 30 CDEDLO N#CC1(C[N@@H+]2CCC[C@H]2C(=O)N2CCSCC2)CCC1 ZINC000334776269 225317667 /nfs/dbraw/zinc/31/76/67/225317667.db2.gz YITDQVRBNVGIHE-ZDUSSCGKSA-N 1 2 293.436 1.720 20 30 CDEDLO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)NCC#N ZINC000171730305 335076186 /nfs/dbraw/zinc/07/61/86/335076186.db2.gz PSNGUJKPRQQFLH-JTQLQIEISA-N 1 2 288.376 1.929 20 30 CDEDLO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)NCC#N ZINC000171730305 335076187 /nfs/dbraw/zinc/07/61/87/335076187.db2.gz PSNGUJKPRQQFLH-JTQLQIEISA-N 1 2 288.376 1.929 20 30 CDEDLO Cc1cccn2cc(CNC(=O)[C@@H]3COCCN3C)[nH+]c12 ZINC000329063214 227279823 /nfs/dbraw/zinc/27/98/23/227279823.db2.gz ZUJNOSPJQAPFNG-ZDUSSCGKSA-N 1 2 288.351 1.430 20 30 CDEDLO C[C@]1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCCOC1 ZINC000329139186 227322050 /nfs/dbraw/zinc/32/20/50/227322050.db2.gz FCBPBUAXPYDXFU-FZMZJTMJSA-N 1 2 263.341 1.971 20 30 CDEDLO C[C@]1(NC(=O)NC[C@H]2CCCn3cc[nH+]c32)CCCOC1 ZINC000329167074 227336806 /nfs/dbraw/zinc/33/68/06/227336806.db2.gz IHECBMLNQAISNS-DOMZBBRYSA-N 1 2 292.383 1.833 20 30 CDEDLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H]1CCCNC1=O ZINC000330027905 228020275 /nfs/dbraw/zinc/02/02/75/228020275.db2.gz NTWXWYJBAKBZMW-LLVKDONJSA-N 1 2 287.323 1.457 20 30 CDEDLO [O-]C(NC(C1CC1)C1CC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330177092 228056451 /nfs/dbraw/zinc/05/64/51/228056451.db2.gz KLVQQJXLIFXIHS-LBPRGKRZSA-N 1 2 274.368 1.890 20 30 CDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C(C1CC1)C1CC1 ZINC000330177092 228056452 /nfs/dbraw/zinc/05/64/52/228056452.db2.gz KLVQQJXLIFXIHS-LBPRGKRZSA-N 1 2 274.368 1.890 20 30 CDEDLO N#CCC1(CS(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000333150982 228191315 /nfs/dbraw/zinc/19/13/15/228191315.db2.gz AOMLASGYZFLYTE-ZDUSSCGKSA-N 1 2 297.424 1.180 20 30 CDEDLO N#CCC1(CS(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000333150982 228191316 /nfs/dbraw/zinc/19/13/16/228191316.db2.gz AOMLASGYZFLYTE-ZDUSSCGKSA-N 1 2 297.424 1.180 20 30 CDEDLO Cc1cc(N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000400999691 260130727 /nfs/dbraw/zinc/13/07/27/260130727.db2.gz UPMJOMBKVIXMMU-QWRGUYRKSA-N 1 2 279.365 1.274 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)C1(C#N)CCCCC1 ZINC000408078076 260217482 /nfs/dbraw/zinc/21/74/82/260217482.db2.gz ALHHRZWLPOIQEA-ZDUSSCGKSA-N 1 2 279.384 1.297 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)C1(C#N)CCCCC1 ZINC000408078076 260217483 /nfs/dbraw/zinc/21/74/83/260217483.db2.gz ALHHRZWLPOIQEA-ZDUSSCGKSA-N 1 2 279.384 1.297 20 30 CDEDLO N#CCCn1cc(C(=O)C[N@H+]2CC[C@H](O)C2)c2ccccc21 ZINC000074313229 260286721 /nfs/dbraw/zinc/28/67/21/260286721.db2.gz MIQMNZPLTIBDGC-ZDUSSCGKSA-N 1 2 297.358 1.804 20 30 CDEDLO N#CCCn1cc(C(=O)C[N@@H+]2CC[C@H](O)C2)c2ccccc21 ZINC000074313229 260286722 /nfs/dbraw/zinc/28/67/22/260286722.db2.gz MIQMNZPLTIBDGC-ZDUSSCGKSA-N 1 2 297.358 1.804 20 30 CDEDLO CC(C)Cc1nc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cs1 ZINC000518383541 260393655 /nfs/dbraw/zinc/39/36/55/260393655.db2.gz NATWLVLDSADDBJ-CQSZACIVSA-N 1 2 294.424 1.915 20 30 CDEDLO N#CC1(CS(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000165951600 261379958 /nfs/dbraw/zinc/37/99/58/261379958.db2.gz OTJGVPXPKUPXEG-NSHDSACASA-N 1 2 294.380 1.570 20 30 CDEDLO CC[N@H+](CCn1cnc2ccccc2c1=O)C[C@@H](C)C#N ZINC000117336410 262268610 /nfs/dbraw/zinc/26/86/10/262268610.db2.gz GYCSRAGSPPKZHL-ZDUSSCGKSA-N 1 2 284.363 1.878 20 30 CDEDLO CC[N@@H+](CCn1cnc2ccccc2c1=O)C[C@@H](C)C#N ZINC000117336410 262268611 /nfs/dbraw/zinc/26/86/11/262268611.db2.gz GYCSRAGSPPKZHL-ZDUSSCGKSA-N 1 2 284.363 1.878 20 30 CDEDLO N#CCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000274620506 263027976 /nfs/dbraw/zinc/02/79/76/263027976.db2.gz RPLJUGPPJXAGPP-UHFFFAOYSA-N 1 2 268.320 1.116 20 30 CDEDLO CCc1ccc(CCO[NH+]=C(N)C(C)(C)NC(C)=O)cc1 ZINC000275702658 263034114 /nfs/dbraw/zinc/03/41/14/263034114.db2.gz KTYZAYYAADSEEO-UHFFFAOYSA-N 1 2 291.395 1.995 20 30 CDEDLO CCCCCCCCNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000283170794 263081789 /nfs/dbraw/zinc/08/17/89/263081789.db2.gz DGJSFIGFZILSQW-UHFFFAOYSA-N 1 2 294.399 1.513 20 30 CDEDLO Cc1ncc(CO)c(/C=[NH+]/CCC2(O)CCC2)c1O ZINC000283940277 263084907 /nfs/dbraw/zinc/08/49/07/263084907.db2.gz MDLTZZOZWYAAGJ-OVCLIPMQSA-N 1 2 264.325 1.312 20 30 CDEDLO Cc1cc(C)cc(NC(=O)CO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000284000334 263085292 /nfs/dbraw/zinc/08/52/92/263085292.db2.gz HHAUPCZNEMMCNU-ZDUSSCGKSA-N 1 2 291.351 1.710 20 30 CDEDLO NC(=[NH+]OCc1ccc(Cl)nc1)[C@H]1CCCO1 ZINC000284041822 263085414 /nfs/dbraw/zinc/08/54/14/263085414.db2.gz IYCRYSUHHCECEC-SECBINFHSA-N 1 2 255.705 1.703 20 30 CDEDLO NC(=[NH+]OCC(=O)Nc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000284060991 263085784 /nfs/dbraw/zinc/08/57/84/263085784.db2.gz JRHXEKUGDVBKPC-NSHDSACASA-N 1 2 297.742 1.746 20 30 CDEDLO Cc1ncsc1CCO[NH+]=C(N)[C@H]1CCCO1 ZINC000284486900 263087105 /nfs/dbraw/zinc/08/71/05/263087105.db2.gz SECKNCWBUBMXKU-SECBINFHSA-N 1 2 255.343 1.462 20 30 CDEDLO COc1ccncc1CO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000288403484 263104256 /nfs/dbraw/zinc/10/42/56/263104256.db2.gz BOIRQIZRZZAXJE-NSHDSACASA-N 1 2 281.356 1.940 20 30 CDEDLO CO/N=C/C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000289888176 263112731 /nfs/dbraw/zinc/11/27/31/263112731.db2.gz SPMAZTROZLWYJO-MHWRWJLKSA-N 1 2 295.770 1.616 20 30 CDEDLO CC1(C)C[C@@]1(C#N)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000291501579 263123576 /nfs/dbraw/zinc/12/35/76/263123576.db2.gz VECSEJLKGBHTRP-HNNXBMFYSA-N 1 2 268.320 1.685 20 30 CDEDLO C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+](C)C[C@H](C)C#N ZINC000299149312 263231475 /nfs/dbraw/zinc/23/14/75/263231475.db2.gz DNBZQAFHCMQEEB-VXGBXAGGSA-N 1 2 277.343 1.922 20 30 CDEDLO C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)C[C@H](C)C#N ZINC000299149312 263231477 /nfs/dbraw/zinc/23/14/77/263231477.db2.gz DNBZQAFHCMQEEB-VXGBXAGGSA-N 1 2 277.343 1.922 20 30 CDEDLO C=CCCS[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000341912819 263365954 /nfs/dbraw/zinc/36/59/54/263365954.db2.gz APNCWQJRPDGVPP-LBPRGKRZSA-N 1 2 256.415 1.848 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@@H+]1C[C@H](C)OC[C@@H]1CC ZINC000330632701 264001230 /nfs/dbraw/zinc/00/12/30/264001230.db2.gz REOJGOPMHFMTEP-RYUDHWBXSA-N 1 2 285.388 1.316 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@H+]1C[C@H](C)OC[C@@H]1CC ZINC000330632701 264001232 /nfs/dbraw/zinc/00/12/32/264001232.db2.gz REOJGOPMHFMTEP-RYUDHWBXSA-N 1 2 285.388 1.316 20 30 CDEDLO CCCc1nc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)co1 ZINC000330814387 264045318 /nfs/dbraw/zinc/04/53/18/264045318.db2.gz LXJVMCSZTGZCJO-LLVKDONJSA-N 1 2 281.356 1.652 20 30 CDEDLO CCCc1nc(C(=O)NCC[N@H+]2CCOC[C@H]2C)co1 ZINC000330814387 264045319 /nfs/dbraw/zinc/04/53/19/264045319.db2.gz LXJVMCSZTGZCJO-LLVKDONJSA-N 1 2 281.356 1.652 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C)c(C)c2)CC1 ZINC000125848251 264069559 /nfs/dbraw/zinc/06/95/59/264069559.db2.gz ODVXOXCZRYKUBS-MRXNPFEDSA-N 1 2 299.418 1.563 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000331063828 264111455 /nfs/dbraw/zinc/11/14/55/264111455.db2.gz OSZGNSKMPXMPDA-LLVKDONJSA-N 1 2 285.388 1.316 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000331063828 264111456 /nfs/dbraw/zinc/11/14/56/264111456.db2.gz OSZGNSKMPXMPDA-LLVKDONJSA-N 1 2 285.388 1.316 20 30 CDEDLO COc1cc(C)cnc1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000331164710 264144435 /nfs/dbraw/zinc/14/44/35/264144435.db2.gz RYEMGXLIYDIFFE-LBPRGKRZSA-N 1 2 293.367 1.424 20 30 CDEDLO CNC(=O)[C@H](C)CN(C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331242486 264176899 /nfs/dbraw/zinc/17/68/99/264176899.db2.gz RDLSJCHOYVFCHS-SNVBAGLBSA-N 1 2 292.383 1.866 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331307880 264202148 /nfs/dbraw/zinc/20/21/48/264202148.db2.gz FQDWJMPINNINKG-OLZOCXBDSA-N 1 2 281.400 1.494 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331307880 264202151 /nfs/dbraw/zinc/20/21/51/264202151.db2.gz FQDWJMPINNINKG-OLZOCXBDSA-N 1 2 281.400 1.494 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nnc(C(F)(F)F)s1 ZINC000660722580 423970961 /nfs/dbraw/zinc/97/09/61/423970961.db2.gz KDAJPEGKEJFTRZ-RQJHMYQMSA-N 1 2 279.287 1.990 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cnc2nc(C)cc(C)n12 ZINC000093461475 265180315 /nfs/dbraw/zinc/18/03/15/265180315.db2.gz SCNTUHPZCYNGFM-UHFFFAOYSA-N 1 2 252.321 1.415 20 30 CDEDLO C=C(C)CCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000665019883 424398130 /nfs/dbraw/zinc/39/81/30/424398130.db2.gz GSNIMILFUUPXJS-STQMWFEESA-N 1 2 269.389 1.361 20 30 CDEDLO C=C(C)CCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000665019883 424398138 /nfs/dbraw/zinc/39/81/38/424398138.db2.gz GSNIMILFUUPXJS-STQMWFEESA-N 1 2 269.389 1.361 20 30 CDEDLO C=CCCC1(C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CC1 ZINC000356251657 266080864 /nfs/dbraw/zinc/08/08/64/266080864.db2.gz UDEDPEACQCOQKC-UHFFFAOYSA-N 1 2 293.411 1.141 20 30 CDEDLO C=C(CC)C[N@@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000356445643 266116284 /nfs/dbraw/zinc/11/62/84/266116284.db2.gz JLQIFVMEFGOFIS-NEPJUHHUSA-N 1 2 269.341 1.379 20 30 CDEDLO C=C(CC)C[N@H+]1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000356445643 266116287 /nfs/dbraw/zinc/11/62/87/266116287.db2.gz JLQIFVMEFGOFIS-NEPJUHHUSA-N 1 2 269.341 1.379 20 30 CDEDLO CC[N@@H+](CC(=O)N[C@H](CC(C)C)C(=O)OC)C[C@@H](C)C#N ZINC000356468912 266120424 /nfs/dbraw/zinc/12/04/24/266120424.db2.gz CZNKSZUPEFLSIA-QWHCGFSZSA-N 1 2 297.399 1.172 20 30 CDEDLO CC[N@H+](CC(=O)N[C@H](CC(C)C)C(=O)OC)C[C@@H](C)C#N ZINC000356468912 266120427 /nfs/dbraw/zinc/12/04/27/266120427.db2.gz CZNKSZUPEFLSIA-QWHCGFSZSA-N 1 2 297.399 1.172 20 30 CDEDLO C=C(C)C[N@@H+](C)Cc1nnnn1CC1CCOCC1 ZINC000369318885 267235345 /nfs/dbraw/zinc/23/53/45/267235345.db2.gz IQTVZQSNARYOLN-UHFFFAOYSA-N 1 2 265.361 1.108 20 30 CDEDLO C=C(C)C[N@H+](C)Cc1nnnn1CC1CCOCC1 ZINC000369318885 267235349 /nfs/dbraw/zinc/23/53/49/267235349.db2.gz IQTVZQSNARYOLN-UHFFFAOYSA-N 1 2 265.361 1.108 20 30 CDEDLO N#Cc1ccc(CC(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000524401082 268213661 /nfs/dbraw/zinc/21/36/61/268213661.db2.gz GVOPTIFNNDOIOP-UHFFFAOYSA-N 1 2 266.304 1.381 20 30 CDEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cnc3c(c2)CCCC3)C1 ZINC000329290279 277119520 /nfs/dbraw/zinc/11/95/20/277119520.db2.gz AJVXSGXXQVUDTF-CQSZACIVSA-N 1 2 275.352 1.879 20 30 CDEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2cnc3c(c2)CCCC3)C1 ZINC000329290279 277119521 /nfs/dbraw/zinc/11/95/21/277119521.db2.gz AJVXSGXXQVUDTF-CQSZACIVSA-N 1 2 275.352 1.879 20 30 CDEDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)o1 ZINC000541687481 289504616 /nfs/dbraw/zinc/50/46/16/289504616.db2.gz VCCYFRIXVVXRQV-UWVGGRQHSA-N 1 2 299.334 1.928 20 30 CDEDLO C[C@H]1C(=O)NCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000189343231 290306250 /nfs/dbraw/zinc/30/62/50/290306250.db2.gz TVXHAYGTIDXINY-JTQLQIEISA-N 1 2 261.300 1.408 20 30 CDEDLO C[C@H]1C(=O)NCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000189343231 290306252 /nfs/dbraw/zinc/30/62/52/290306252.db2.gz TVXHAYGTIDXINY-JTQLQIEISA-N 1 2 261.300 1.408 20 30 CDEDLO CO[C@@](C)(CNC(=O)N1CCn2cc[nH+]c2C1)C1CC1 ZINC000329690029 294064266 /nfs/dbraw/zinc/06/42/66/294064266.db2.gz CXPKAFWHOICPFK-AWEZNQCLSA-N 1 2 278.356 1.428 20 30 CDEDLO Cc1nnc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)o1 ZINC000571722062 294492800 /nfs/dbraw/zinc/49/28/00/294492800.db2.gz WVFCIXYFQXSLRD-VIFPVBQESA-N 1 2 285.307 1.539 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@H](F)C2)CCCCC1 ZINC000334817799 303145982 /nfs/dbraw/zinc/14/59/82/303145982.db2.gz JSJRQINNKVKVJQ-LLVKDONJSA-N 1 2 253.321 1.373 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](F)C2)CCCCC1 ZINC000334817799 303145984 /nfs/dbraw/zinc/14/59/84/303145984.db2.gz JSJRQINNKVKVJQ-LLVKDONJSA-N 1 2 253.321 1.373 20 30 CDEDLO N#Cc1cc(NCCNc2ccc3ccccc3[nH+]2)ncn1 ZINC000569774191 316844853 /nfs/dbraw/zinc/84/48/53/316844853.db2.gz YGUIJALCSSCIGM-UHFFFAOYSA-N 1 2 290.330 1.264 20 30 CDEDLO N#Cc1c(NCc2cccc3[nH+]ccn32)n[nH]c1C1CC1 ZINC000576493406 317149804 /nfs/dbraw/zinc/14/98/04/317149804.db2.gz AAVSRZXBFMBXSC-UHFFFAOYSA-N 1 2 278.319 1.840 20 30 CDEDLO COc1c(C)c[nH+]c(Cn2cnc(C#N)cc2=O)c1C ZINC000576702142 317190166 /nfs/dbraw/zinc/19/01/66/317190166.db2.gz SIKAIGQKXZLVHR-UHFFFAOYSA-N 1 2 270.292 1.184 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCCc1c(F)cccc1F ZINC000339750859 328053637 /nfs/dbraw/zinc/05/36/37/328053637.db2.gz HUXIFTYKTNENDS-UHFFFAOYSA-N 1 2 280.318 1.579 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCCc1c(F)cccc1F ZINC000339750859 328053638 /nfs/dbraw/zinc/05/36/38/328053638.db2.gz HUXIFTYKTNENDS-UHFFFAOYSA-N 1 2 280.318 1.579 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCCOc1cccc(F)c1 ZINC000565169744 328073736 /nfs/dbraw/zinc/07/37/36/328073736.db2.gz HLUKCZKXZHKGFG-CYBMUJFWSA-N 1 2 293.342 1.603 20 30 CDEDLO COc1ccc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1F ZINC000571138979 328088472 /nfs/dbraw/zinc/08/84/72/328088472.db2.gz WIEVXAPPGYMMSI-OAHLLOKOSA-N 1 2 293.342 1.337 20 30 CDEDLO CN(Cc1ccco1)C(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000272505060 328199993 /nfs/dbraw/zinc/19/99/93/328199993.db2.gz FEBDYZOHXKZCEO-UHFFFAOYSA-N 1 2 275.352 1.864 20 30 CDEDLO N#CCCCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000273098901 328203943 /nfs/dbraw/zinc/20/39/43/328203943.db2.gz KFUBEKJJMZMVMU-UHFFFAOYSA-N 1 2 287.363 1.552 20 30 CDEDLO C#CCCCO[NH+]=C(N)COc1ccccc1F ZINC000275582596 328215435 /nfs/dbraw/zinc/21/54/35/328215435.db2.gz ZMCHISYFRCNMLW-UHFFFAOYSA-N 1 2 250.273 1.907 20 30 CDEDLO COc1ccc(CO[NH+]=C(N)[C@@H]2CCCO2)cc1F ZINC000284441991 328245827 /nfs/dbraw/zinc/24/58/27/328245827.db2.gz PJSNUEXZRXDEBZ-LBPRGKRZSA-N 1 2 268.288 1.802 20 30 CDEDLO NC(=[NH+]OCc1csc(C2CC2)n1)[C@@H]1CCCO1 ZINC000284443993 328245919 /nfs/dbraw/zinc/24/59/19/328245919.db2.gz PMXBRYDVUOTFRU-JTQLQIEISA-N 1 2 267.354 1.988 20 30 CDEDLO CC[C@H](C)[C@H](C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000183973833 329252021 /nfs/dbraw/zinc/25/20/21/329252021.db2.gz YYBBUAOTBYWNCW-GJZGRUSLSA-N 1 2 295.427 1.743 20 30 CDEDLO CC(C)n1ccc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)n1 ZINC000580193095 324396282 /nfs/dbraw/zinc/39/62/82/324396282.db2.gz FRPLVRSZAMRTEY-UHFFFAOYSA-N 1 2 295.350 1.668 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)NCC#Cc1cccc(F)c1 ZINC000558719434 327117095 /nfs/dbraw/zinc/11/70/95/327117095.db2.gz KVZYFKOZUBIHIU-UHFFFAOYSA-N 1 2 271.295 1.270 20 30 CDEDLO COc1cccc(OC)c1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000584269932 327205360 /nfs/dbraw/zinc/20/53/60/327205360.db2.gz OGVBAWBDODDDAQ-LBPRGKRZSA-N 1 2 294.351 1.289 20 30 CDEDLO COc1cccc(OC)c1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000584269932 327205362 /nfs/dbraw/zinc/20/53/62/327205362.db2.gz OGVBAWBDODDDAQ-LBPRGKRZSA-N 1 2 294.351 1.289 20 30 CDEDLO C=CCNC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000151290247 327464320 /nfs/dbraw/zinc/46/43/20/327464320.db2.gz MVOPQHSGOSSWLR-UHFFFAOYSA-N 1 2 277.343 1.839 20 30 CDEDLO C=CCCOCCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000536619435 328670360 /nfs/dbraw/zinc/67/03/60/328670360.db2.gz AAJBFWGGRYQDGU-UHFFFAOYSA-N 1 2 263.341 1.835 20 30 CDEDLO CC#CCCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000361331819 328918288 /nfs/dbraw/zinc/91/82/88/328918288.db2.gz PNJSHALRTBKCTB-UHFFFAOYSA-N 1 2 274.368 1.475 20 30 CDEDLO C#C[C@@H](NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C(C)C ZINC000378075894 329038810 /nfs/dbraw/zinc/03/88/10/329038810.db2.gz RECSTVTVUXVSSU-WDEREUQCSA-N 1 2 260.341 1.224 20 30 CDEDLO C#C[C@@H](NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C(C)C ZINC000378075894 329038812 /nfs/dbraw/zinc/03/88/12/329038812.db2.gz RECSTVTVUXVSSU-WDEREUQCSA-N 1 2 260.341 1.224 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)c1 ZINC000378346686 329046917 /nfs/dbraw/zinc/04/69/17/329046917.db2.gz SFUXOEUHFOVNME-AWEZNQCLSA-N 1 2 288.347 1.888 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)c1 ZINC000378346686 329046918 /nfs/dbraw/zinc/04/69/18/329046918.db2.gz SFUXOEUHFOVNME-AWEZNQCLSA-N 1 2 288.347 1.888 20 30 CDEDLO Cc1cc(C#N)ccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000582533632 329108036 /nfs/dbraw/zinc/10/80/36/329108036.db2.gz GNKMEQHZHQEYQN-CQSZACIVSA-N 1 2 273.336 1.452 20 30 CDEDLO Cc1cc(C#N)ccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000582533632 329108038 /nfs/dbraw/zinc/10/80/38/329108038.db2.gz GNKMEQHZHQEYQN-CQSZACIVSA-N 1 2 273.336 1.452 20 30 CDEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nc(N)nc(N)n1 ZINC000173259249 329143471 /nfs/dbraw/zinc/14/34/71/329143471.db2.gz QYXQTIIREBYQCS-UHFFFAOYSA-N 1 2 284.367 1.267 20 30 CDEDLO C=CC[N@H+](CCc1ccccc1)Cc1nc(N)nc(N)n1 ZINC000173259249 329143473 /nfs/dbraw/zinc/14/34/73/329143473.db2.gz QYXQTIIREBYQCS-UHFFFAOYSA-N 1 2 284.367 1.267 20 30 CDEDLO CCC(CC)[C@H](C(=O)N[C@H](CC)CC#N)[NH+]1CCOCC1 ZINC000183879916 329253768 /nfs/dbraw/zinc/25/37/68/329253768.db2.gz UVNDAUWZZURIED-HUUCEWRRSA-N 1 2 295.427 1.932 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000571747311 329919470 /nfs/dbraw/zinc/91/94/70/329919470.db2.gz APVRQVNNADFSFW-KGLIPLIRSA-N 1 2 285.347 1.584 20 30 CDEDLO C=C(C)C[NH2+][C@H](C(=O)OC)[C@H]1CCC[C@H](OC)C1 ZINC000572125349 329946624 /nfs/dbraw/zinc/94/66/24/329946624.db2.gz YADNWGWNPGCOPY-AVGNSLFASA-N 1 2 255.358 1.899 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)NC3(C#N)CCOCC3)ccn12 ZINC000572255687 329961105 /nfs/dbraw/zinc/96/11/05/329961105.db2.gz RNPSFJAPAJNRDD-UHFFFAOYSA-N 1 2 284.319 1.445 20 30 CDEDLO C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000572291551 329972904 /nfs/dbraw/zinc/97/29/04/329972904.db2.gz QYGIYRSJNLZIIZ-VNHYZAJKSA-N 1 2 281.400 1.542 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCC1CCOCC1 ZINC000572410339 330064131 /nfs/dbraw/zinc/06/41/31/330064131.db2.gz XIMMKDWNFSAXBU-AWEZNQCLSA-N 1 2 267.373 1.153 20 30 CDEDLO C=CCCCS(=O)(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000451928834 331047459 /nfs/dbraw/zinc/04/74/59/331047459.db2.gz MYBJECNFOZDQAE-LLVKDONJSA-N 1 2 271.386 1.850 20 30 CDEDLO Cc1cc(C)c(CNS(=O)(=O)N(C)[C@@H](C)CC#N)c[nH+]1 ZINC000452047514 331052148 /nfs/dbraw/zinc/05/21/48/331052148.db2.gz YRLKSMKJEBDKIG-LBPRGKRZSA-N 1 2 296.396 1.267 20 30 CDEDLO NC(=O)C[C@@H]1COCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000452085267 331053531 /nfs/dbraw/zinc/05/35/31/331053531.db2.gz NYQPDUCEBHRZEI-CQSZACIVSA-N 1 2 292.766 1.268 20 30 CDEDLO NC(=O)C[C@@H]1COCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000452085267 331053532 /nfs/dbraw/zinc/05/35/32/331053532.db2.gz NYQPDUCEBHRZEI-CQSZACIVSA-N 1 2 292.766 1.268 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456355588 331190688 /nfs/dbraw/zinc/19/06/88/331190688.db2.gz ATLQMAGNANCQKJ-TUAOUCFPSA-N 1 2 263.341 1.986 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000458772014 331259535 /nfs/dbraw/zinc/25/95/35/331259535.db2.gz OYCKYAYBVFINFV-STQMWFEESA-N 1 2 292.383 1.498 20 30 CDEDLO C=CCn1cccc1C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000488875814 332031129 /nfs/dbraw/zinc/03/11/29/332031129.db2.gz GIELAHKXKDNIKJ-AWEZNQCLSA-N 1 2 290.411 1.040 20 30 CDEDLO C#CC[NH+]1CCN(CN2C(=O)[C@H](C)[C@@H]2c2ccccc2)CC1 ZINC000490679242 332103151 /nfs/dbraw/zinc/10/31/51/332103151.db2.gz RPTJEXVFXJQUKX-NVXWUHKLSA-N 1 2 297.402 1.414 20 30 CDEDLO C#C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)C ZINC000490971073 332134428 /nfs/dbraw/zinc/13/44/28/332134428.db2.gz AMBZYKPTQKMBEZ-CYBMUJFWSA-N 1 2 281.400 1.054 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cnc2n[nH]c(C)c2c1 ZINC000491073501 332147113 /nfs/dbraw/zinc/14/71/13/332147113.db2.gz ZYKIZRMSILOPAX-UHFFFAOYSA-N 1 2 252.321 1.725 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cnc2n[nH]c(C)c2c1 ZINC000491073501 332147114 /nfs/dbraw/zinc/14/71/14/332147114.db2.gz ZYKIZRMSILOPAX-UHFFFAOYSA-N 1 2 252.321 1.725 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000491288521 332182314 /nfs/dbraw/zinc/18/23/14/332182314.db2.gz SMCMBNCYQLSAMU-NSHDSACASA-N 1 2 287.319 1.437 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000491288521 332182315 /nfs/dbraw/zinc/18/23/15/332182315.db2.gz SMCMBNCYQLSAMU-NSHDSACASA-N 1 2 287.319 1.437 20 30 CDEDLO C#CC[N@@H+](C[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000491544700 332234584 /nfs/dbraw/zinc/23/45/84/332234584.db2.gz MZXMJKCAOKWCDW-ZBFHGGJFSA-N 1 2 291.416 1.912 20 30 CDEDLO C#CC[N@H+](C[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000491544700 332234586 /nfs/dbraw/zinc/23/45/86/332234586.db2.gz MZXMJKCAOKWCDW-ZBFHGGJFSA-N 1 2 291.416 1.912 20 30 CDEDLO C#C[C@H](NC(=O)Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC000491566874 332239154 /nfs/dbraw/zinc/23/91/54/332239154.db2.gz IJLKPMTZUFURHC-ZDUSSCGKSA-N 1 2 257.268 1.513 20 30 CDEDLO C#CC[N@H+](Cc1cnc(C2OCCO2)s1)C1CC1 ZINC000491616489 332243351 /nfs/dbraw/zinc/24/33/51/332243351.db2.gz AZOVCFFHNSXIJS-UHFFFAOYSA-N 1 2 264.350 1.786 20 30 CDEDLO C#CC[N@@H+](Cc1cnc(C2OCCO2)s1)C1CC1 ZINC000491616489 332243353 /nfs/dbraw/zinc/24/33/53/332243353.db2.gz AZOVCFFHNSXIJS-UHFFFAOYSA-N 1 2 264.350 1.786 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000491643964 332262554 /nfs/dbraw/zinc/26/25/54/332262554.db2.gz ICIVMYYKVVWWRI-VIFPVBQESA-N 1 2 274.280 1.222 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000491643964 332262555 /nfs/dbraw/zinc/26/25/55/332262555.db2.gz ICIVMYYKVVWWRI-VIFPVBQESA-N 1 2 274.280 1.222 20 30 CDEDLO C#CCN(C(=O)NCc1c[nH+]cn1C)C1CCCC1 ZINC000491657750 332269020 /nfs/dbraw/zinc/26/90/20/332269020.db2.gz VFXOFADWBUGPRT-UHFFFAOYSA-N 1 2 260.341 1.508 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@H](c2ccccc2)CC1=O ZINC000491692450 332289135 /nfs/dbraw/zinc/28/91/35/332289135.db2.gz HLDGGJHNBWJUSW-ZFWWWQNUSA-N 1 2 256.349 1.914 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@H](c2ccccc2)CC1=O ZINC000491692450 332289136 /nfs/dbraw/zinc/28/91/36/332289136.db2.gz HLDGGJHNBWJUSW-ZFWWWQNUSA-N 1 2 256.349 1.914 20 30 CDEDLO C#C[C@@H](CC)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000491709887 332302026 /nfs/dbraw/zinc/30/20/26/332302026.db2.gz RKFZSQKELRPCDA-NSHDSACASA-N 1 2 258.312 1.492 20 30 CDEDLO C#C[C@@H](NC(=O)C1([NH+]2CCOCC2)CCC1)C(C)(C)C ZINC000491712282 332303554 /nfs/dbraw/zinc/30/35/54/332303554.db2.gz YZQDCXCTWIARQX-CYBMUJFWSA-N 1 2 278.396 1.405 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000491733689 332314750 /nfs/dbraw/zinc/31/47/50/332314750.db2.gz HRNPISFMLAFHKU-QPJJXVBHSA-N 1 2 296.330 1.984 20 30 CDEDLO C#C[C@H](CC)NC(=O)NCc1[nH+]ccn1CC(C)C ZINC000491816376 332367184 /nfs/dbraw/zinc/36/71/84/332367184.db2.gz WIPXACHAHVFZDZ-GFCCVEGCSA-N 1 2 262.357 1.750 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C\C1CCC1 ZINC000492047022 332380413 /nfs/dbraw/zinc/38/04/13/332380413.db2.gz LARLEJFAGMAION-WAYWQWQTSA-N 1 2 291.395 1.417 20 30 CDEDLO C#CC[NH+]1CCN(CN2C[C@@H](CC(C)(C)C)CC2=O)CC1 ZINC000189051064 333179160 /nfs/dbraw/zinc/17/91/60/333179160.db2.gz DFFMGEBQLUXYBW-OAHLLOKOSA-N 1 2 291.439 1.479 20 30 CDEDLO C#CC[N@@H+](Cc1nnnn1CC(F)(F)F)C1CCCC1 ZINC000190935126 333212318 /nfs/dbraw/zinc/21/23/18/333212318.db2.gz YORRCOMHNVSSPE-UHFFFAOYSA-N 1 2 287.289 1.613 20 30 CDEDLO C#CC[N@H+](Cc1nnnn1CC(F)(F)F)C1CCCC1 ZINC000190935126 333212319 /nfs/dbraw/zinc/21/23/19/333212319.db2.gz YORRCOMHNVSSPE-UHFFFAOYSA-N 1 2 287.289 1.613 20 30 CDEDLO CC1CC(C#N)(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000125805916 333574211 /nfs/dbraw/zinc/57/42/11/333574211.db2.gz RGIMHEOMHGYQPT-UHFFFAOYSA-N 1 2 260.341 1.719 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000072906199 333965021 /nfs/dbraw/zinc/96/50/21/333965021.db2.gz DMIGRLWVRMNQAX-CVEARBPZSA-N 1 2 290.407 1.266 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@H+](CCC#N)CC1CC1)C1CC1 ZINC000081043591 334177137 /nfs/dbraw/zinc/17/71/37/334177137.db2.gz MSNGMKBLCVBZKP-HNNXBMFYSA-N 1 2 274.368 1.421 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@@H+](CCC#N)CC1CC1)C1CC1 ZINC000081043591 334177138 /nfs/dbraw/zinc/17/71/38/334177138.db2.gz MSNGMKBLCVBZKP-HNNXBMFYSA-N 1 2 274.368 1.421 20 30 CDEDLO CCc1cccnc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000565540664 334572658 /nfs/dbraw/zinc/57/26/58/334572658.db2.gz CCMIOKVHXMYHAX-AWEZNQCLSA-N 1 2 260.341 1.218 20 30 CDEDLO CCc1ccccc1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000567995302 334782516 /nfs/dbraw/zinc/78/25/16/334782516.db2.gz HGUAGOBUVRSDHV-MRXNPFEDSA-N 1 2 273.380 1.752 20 30 CDEDLO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]CCC#N ZINC000580543849 335270386 /nfs/dbraw/zinc/27/03/86/335270386.db2.gz UNDHIBBLYXWNSH-UHFFFAOYSA-N 1 2 295.408 1.767 20 30 CDEDLO N#CCC1(O)C[NH+](CCCc2ccc3c(c2)CCO3)C1 ZINC000192640766 335285386 /nfs/dbraw/zinc/28/53/86/335285386.db2.gz BOANATPXRALBEU-UHFFFAOYSA-N 1 2 272.348 1.514 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc2scnc2c1 ZINC000581880266 336157344 /nfs/dbraw/zinc/15/73/44/336157344.db2.gz ZODJWZKGWZXAJD-LBPRGKRZSA-N 1 2 290.392 1.915 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc2scnc2c1 ZINC000581880266 336157345 /nfs/dbraw/zinc/15/73/45/336157345.db2.gz ZODJWZKGWZXAJD-LBPRGKRZSA-N 1 2 290.392 1.915 20 30 CDEDLO C#CCCCCC(=O)N(C)C[C@@H](C)[NH2+]Cc1nnc(C)o1 ZINC001755581709 1160227223 /nfs/dbraw/zinc/22/72/23/1160227223.db2.gz MNNBDJJXZNTIAV-GFCCVEGCSA-N 1 2 292.383 1.508 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](CO)[NH2+]Cc1nccs1 ZINC001755638094 1160436425 /nfs/dbraw/zinc/43/64/25/1160436425.db2.gz NMLFSBUJJLJPSJ-SMDDNHRTSA-N 1 2 297.424 1.312 20 30 CDEDLO C=CCCOCC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000146695585 483169203 /nfs/dbraw/zinc/16/92/03/483169203.db2.gz MKCXHDSMIWANMV-UHFFFAOYSA-N 1 2 289.379 1.891 20 30 CDEDLO C=CCCOCC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000675256982 483264448 /nfs/dbraw/zinc/26/44/48/483264448.db2.gz DXJXHIUCGOEVEJ-KGLIPLIRSA-N 1 2 277.368 1.885 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001128242499 1161461918 /nfs/dbraw/zinc/46/19/18/1161461918.db2.gz RAEBYOTXIHUREA-UHFFFAOYSA-N 1 2 280.372 1.440 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)cc2C)[C@H](OC)C1 ZINC001082336175 1161573176 /nfs/dbraw/zinc/57/31/76/1161573176.db2.gz ZWHGETANARYZAZ-HUUCEWRRSA-N 1 2 290.338 1.196 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(F)cc2C)[C@H](OC)C1 ZINC001082336175 1161573182 /nfs/dbraw/zinc/57/31/82/1161573182.db2.gz ZWHGETANARYZAZ-HUUCEWRRSA-N 1 2 290.338 1.196 20 30 CDEDLO CC[C@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)CCO1 ZINC000340811626 523271002 /nfs/dbraw/zinc/27/10/02/523271002.db2.gz HKQDRMDAOSFKPT-HNNXBMFYSA-N 1 2 287.363 1.285 20 30 CDEDLO CC[C@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)CCO1 ZINC000340811626 523271009 /nfs/dbraw/zinc/27/10/09/523271009.db2.gz HKQDRMDAOSFKPT-HNNXBMFYSA-N 1 2 287.363 1.285 20 30 CDEDLO C=CCO[C@H](C)C(=O)N1CC[NH+](CCOCC(C)C)CC1 ZINC001113713804 1162264551 /nfs/dbraw/zinc/26/45/51/1162264551.db2.gz YWSQYFXDMMEZLJ-OAHLLOKOSA-N 1 2 298.427 1.394 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000331752439 534752005 /nfs/dbraw/zinc/75/20/05/534752005.db2.gz KPRGDBCRFSOARP-YNEHKIRRSA-N 1 2 287.367 1.991 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352468264 526520802 /nfs/dbraw/zinc/52/08/02/526520802.db2.gz QBQVGNFUIBFJOL-UHFFFAOYSA-N 1 2 267.348 1.739 20 30 CDEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@H](CO)C1 ZINC000353608837 526933547 /nfs/dbraw/zinc/93/35/47/526933547.db2.gz IYXQRYYIUGMMJQ-AWEZNQCLSA-N 1 2 263.337 1.445 20 30 CDEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@H](CO)C1 ZINC000353608837 526933551 /nfs/dbraw/zinc/93/35/51/526933551.db2.gz IYXQRYYIUGMMJQ-AWEZNQCLSA-N 1 2 263.337 1.445 20 30 CDEDLO CCc1ccnc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000435780912 536012991 /nfs/dbraw/zinc/01/29/91/536012991.db2.gz YHKZMNSCCCGWOF-MRXNPFEDSA-N 1 2 294.358 1.832 20 30 CDEDLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)cc1C#N ZINC000248818238 536861155 /nfs/dbraw/zinc/86/11/55/536861155.db2.gz ITPBNKRZWAZYLR-RISCZKNCSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)cc1C#N ZINC000248818238 536861157 /nfs/dbraw/zinc/86/11/57/536861157.db2.gz ITPBNKRZWAZYLR-RISCZKNCSA-N 1 2 276.336 1.148 20 30 CDEDLO Cn1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3C#N)C2=O)n1 ZINC000329556009 538583428 /nfs/dbraw/zinc/58/34/28/538583428.db2.gz DVTSWNFDQOWSIU-XQQFMLRXSA-N 1 2 287.367 1.197 20 30 CDEDLO C=C(C)CN(CC)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726253262 574495409 /nfs/dbraw/zinc/49/54/09/574495409.db2.gz AIKHQPAELFEMQJ-ZDUSSCGKSA-N 1 2 269.389 1.315 20 30 CDEDLO C=C(C)CN(CC)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726253262 574495410 /nfs/dbraw/zinc/49/54/10/574495410.db2.gz AIKHQPAELFEMQJ-ZDUSSCGKSA-N 1 2 269.389 1.315 20 30 CDEDLO N#CCn1cc(NC(=O)c2ccc3[nH+]ccn3c2)cn1 ZINC000731621474 575056910 /nfs/dbraw/zinc/05/69/10/575056910.db2.gz JCHBLHKMMXZCIE-UHFFFAOYSA-N 1 2 266.264 1.307 20 30 CDEDLO C=CCN(CC=C)C(=O)COC(=O)c1ccc2[nH+]ccn2c1 ZINC000731907147 575070040 /nfs/dbraw/zinc/07/00/40/575070040.db2.gz FZEKUIWAXOVLIV-UHFFFAOYSA-N 1 2 299.330 1.692 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1csc(CC)n1 ZINC000732165952 575082274 /nfs/dbraw/zinc/08/22/74/575082274.db2.gz RTIJWJNFLHYQCL-YPMHNXCESA-N 1 2 291.420 1.980 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1csc(CC)n1 ZINC000732165952 575082275 /nfs/dbraw/zinc/08/22/75/575082275.db2.gz RTIJWJNFLHYQCL-YPMHNXCESA-N 1 2 291.420 1.980 20 30 CDEDLO N#CCOc1ccc(CC(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000733984552 575152048 /nfs/dbraw/zinc/15/20/48/575152048.db2.gz YQURYBBGPHBUNR-UHFFFAOYSA-N 1 2 296.330 1.411 20 30 CDEDLO CO[C@@H]1CCC[C@H]1C/[NH+]=C/c1c(CO)cnc(C)c1O ZINC000774540238 575213292 /nfs/dbraw/zinc/21/32/92/575213292.db2.gz CKYONIJVXMMMMU-DQVUFSMHSA-N 1 2 278.352 1.822 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761072878 576541635 /nfs/dbraw/zinc/54/16/35/576541635.db2.gz FOYNLEONUIWCMT-KGLIPLIRSA-N 1 2 265.401 1.211 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN(C)[C@H](C)C1 ZINC000761072878 576541636 /nfs/dbraw/zinc/54/16/36/576541636.db2.gz FOYNLEONUIWCMT-KGLIPLIRSA-N 1 2 265.401 1.211 20 30 CDEDLO c1cn(-c2ccc(N=NCCC3CCOCC3)nn2)c[nH+]1 ZINC000761833636 576596336 /nfs/dbraw/zinc/59/63/36/576596336.db2.gz BTVUJANRIPPAKL-UHFFFAOYSA-N 1 2 286.339 1.877 20 30 CDEDLO COC(=O)CCC(C)N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761845213 576597326 /nfs/dbraw/zinc/59/73/26/576597326.db2.gz IUZJLWIGUWAGHI-UHFFFAOYSA-N 1 2 288.311 1.403 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000774913713 575251251 /nfs/dbraw/zinc/25/12/51/575251251.db2.gz OYQJYOZAFYEGNG-HNNXBMFYSA-N 1 2 276.311 1.954 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000774913713 575251253 /nfs/dbraw/zinc/25/12/53/575251253.db2.gz OYQJYOZAFYEGNG-HNNXBMFYSA-N 1 2 276.311 1.954 20 30 CDEDLO CCN(CCO)c1ccc(C=[NH+]N2CCCC2=O)c(C)c1 ZINC000769589970 575362494 /nfs/dbraw/zinc/36/24/94/575362494.db2.gz PUSIYDMEEFLWQH-UHFFFAOYSA-N 1 2 289.379 1.770 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)N[C@@](CC)(C(C)C)C1=O)C1CC1 ZINC000771642707 575600401 /nfs/dbraw/zinc/60/04/01/575600401.db2.gz UELDBDZMBYFNRI-HNNXBMFYSA-N 1 2 279.384 1.951 20 30 CDEDLO C=CC[N@H+](CN1C(=O)N[C@@](CC)(C(C)C)C1=O)C1CC1 ZINC000771642707 575600402 /nfs/dbraw/zinc/60/04/02/575600402.db2.gz UELDBDZMBYFNRI-HNNXBMFYSA-N 1 2 279.384 1.951 20 30 CDEDLO C=C(Cl)CNC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000736246164 575603305 /nfs/dbraw/zinc/60/33/05/575603305.db2.gz OFKYRLJWSSAUTN-UPJWGTAASA-N 1 2 288.819 1.989 20 30 CDEDLO C#C[C@@H](NC(=O)Cn1c(C)[nH+]c2ccccc21)[C@H]1CCCO1 ZINC000772881516 575762433 /nfs/dbraw/zinc/76/24/33/575762433.db2.gz MCMXBNMZOJWKLQ-CZUORRHYSA-N 1 2 297.358 1.642 20 30 CDEDLO C#CCCCCC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000773304398 575800018 /nfs/dbraw/zinc/80/00/18/575800018.db2.gz WATUZTSFLNXOOU-UHFFFAOYSA-N 1 2 288.395 1.258 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)N[C@@](C)(C(C)(C)C)C1=O)C1CC1 ZINC000773322604 575801428 /nfs/dbraw/zinc/80/14/28/575801428.db2.gz RAXMZBVOIGLOGQ-OAHLLOKOSA-N 1 2 279.384 1.951 20 30 CDEDLO C=CC[N@H+](CN1C(=O)N[C@@](C)(C(C)(C)C)C1=O)C1CC1 ZINC000773322604 575801430 /nfs/dbraw/zinc/80/14/30/575801430.db2.gz RAXMZBVOIGLOGQ-OAHLLOKOSA-N 1 2 279.384 1.951 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2c(C)ccnc2OCC)CC1 ZINC000765341687 576010320 /nfs/dbraw/zinc/01/03/20/576010320.db2.gz FNKOBGBUOIJODQ-UHFFFAOYSA-N 1 2 287.363 1.180 20 30 CDEDLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000766100095 576078156 /nfs/dbraw/zinc/07/81/56/576078156.db2.gz ZOYVIMYMVFZCRW-IUODEOHRSA-N 1 2 276.336 1.171 20 30 CDEDLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000766100095 576078157 /nfs/dbraw/zinc/07/81/57/576078157.db2.gz ZOYVIMYMVFZCRW-IUODEOHRSA-N 1 2 276.336 1.171 20 30 CDEDLO Fc1cnc(N=NCc2c[nH+]c3ccccn23)nc1 ZINC000760246797 576469570 /nfs/dbraw/zinc/46/95/70/576469570.db2.gz HXTGWVHBKKFJTJ-UHFFFAOYSA-N 1 2 256.244 1.709 20 30 CDEDLO C#CCC[NH+]1CCN(S(=O)(=O)CCCCC)CC1 ZINC000760835157 576513813 /nfs/dbraw/zinc/51/38/13/576513813.db2.gz WZEQJIOPMSUVEP-UHFFFAOYSA-N 1 2 272.414 1.147 20 30 CDEDLO C#CCCN1CC[NH+]([C@H](C)C(=O)N2CCCCC2)CC1 ZINC000760859187 576516751 /nfs/dbraw/zinc/51/67/51/576516751.db2.gz DMPIBTQAYYDDKZ-OAHLLOKOSA-N 1 2 277.412 1.028 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1nc([C@@H](C)OCC)no1 ZINC000761113651 576549723 /nfs/dbraw/zinc/54/97/23/576549723.db2.gz HVHHMVMULGUQAV-LLVKDONJSA-N 1 2 267.329 1.249 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1nc([C@@H](C)OCC)no1 ZINC000761113651 576549725 /nfs/dbraw/zinc/54/97/25/576549725.db2.gz HVHHMVMULGUQAV-LLVKDONJSA-N 1 2 267.329 1.249 20 30 CDEDLO C[C@H](C#N)OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741390482 576554893 /nfs/dbraw/zinc/55/48/93/576554893.db2.gz YRGZLTUJZWQTDF-OCCSQVGLSA-N 1 2 274.320 1.343 20 30 CDEDLO C[C@H](C#N)OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741390482 576554896 /nfs/dbraw/zinc/55/48/96/576554896.db2.gz YRGZLTUJZWQTDF-OCCSQVGLSA-N 1 2 274.320 1.343 20 30 CDEDLO C#CCOc1ccc(C(=O)N(C)Cc2[nH]cc[nH+]2)cc1 ZINC000741686489 576567723 /nfs/dbraw/zinc/56/77/23/576567723.db2.gz GSYBUPJLZKWQEE-UHFFFAOYSA-N 1 2 269.304 1.694 20 30 CDEDLO c1cn(-c2ccc(N=NC3CCSCC3)nn2)c[nH+]1 ZINC000761838120 576596848 /nfs/dbraw/zinc/59/68/48/576596848.db2.gz ILPRGGRXPDHYKG-UHFFFAOYSA-N 1 2 274.353 1.957 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)[C@@]2(C)CCc3ccccc3C2)CC1 ZINC000742669767 576611638 /nfs/dbraw/zinc/61/16/38/576611638.db2.gz BGFSDVDXLJOFKZ-IBGZPJMESA-N 1 2 296.414 1.959 20 30 CDEDLO CCC(CC)[C@H](C(=O)OCC#CCOC)[NH+]1CCOCC1 ZINC000762835849 576680255 /nfs/dbraw/zinc/68/02/55/576680255.db2.gz QXHSZFDEEMISQB-OAHLLOKOSA-N 1 2 297.395 1.316 20 30 CDEDLO COc1nccnc1N=NCc1c[nH+]c2c(C)cccn12 ZINC000763424260 576736537 /nfs/dbraw/zinc/73/65/37/576736537.db2.gz FBGYKOCLUKMTFQ-UHFFFAOYSA-N 1 2 282.307 1.887 20 30 CDEDLO COCC#CCO[NH+]=C(N)c1cccc(Cl)c1 ZINC000764214193 576786195 /nfs/dbraw/zinc/78/61/95/576786195.db2.gz WFGPNDGDNAJGNM-UHFFFAOYSA-N 1 2 252.701 1.836 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)O[NH+]=C(N)COC(C)C ZINC000748776288 576924564 /nfs/dbraw/zinc/92/45/64/576924564.db2.gz DQRSTNBTOFNICR-GFCCVEGCSA-N 1 2 285.388 1.723 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CN2CCc3ccc(C)cc32)CC1 ZINC000748814743 576926165 /nfs/dbraw/zinc/92/61/65/576926165.db2.gz FHZAWNIFGMWCCN-UHFFFAOYSA-N 1 2 297.402 1.135 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1=S ZINC000749796093 576962792 /nfs/dbraw/zinc/96/27/92/576962792.db2.gz GWQAWSJZELDGTO-RYUDHWBXSA-N 1 2 295.412 1.311 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1=S ZINC000749796093 576962794 /nfs/dbraw/zinc/96/27/94/576962794.db2.gz GWQAWSJZELDGTO-RYUDHWBXSA-N 1 2 295.412 1.311 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CC)[C@@H]1CCCO1 ZINC000756104607 576977519 /nfs/dbraw/zinc/97/75/19/576977519.db2.gz AGCNNDHEVSGPPB-RDBSUJKOSA-N 1 2 264.369 1.158 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CC)[C@@H]1CCCO1 ZINC000756104607 576977521 /nfs/dbraw/zinc/97/75/21/576977521.db2.gz AGCNNDHEVSGPPB-RDBSUJKOSA-N 1 2 264.369 1.158 20 30 CDEDLO C#CCNC(=S)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000758214329 577083108 /nfs/dbraw/zinc/08/31/08/577083108.db2.gz GBSCHSHIWSYMJE-UHFFFAOYSA-N 1 2 294.449 1.159 20 30 CDEDLO C#CCNC(=S)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000758214329 577083109 /nfs/dbraw/zinc/08/31/09/577083109.db2.gz GBSCHSHIWSYMJE-UHFFFAOYSA-N 1 2 294.449 1.159 20 30 CDEDLO C#C[C@H](CC)NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000753120492 577147340 /nfs/dbraw/zinc/14/73/40/577147340.db2.gz HLNUTETVIFWUTR-GFCCVEGCSA-N 1 2 275.352 1.918 20 30 CDEDLO N#Cc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)o1 ZINC000822825427 599432262 /nfs/dbraw/zinc/43/22/62/599432262.db2.gz FKKVHRMCJFBJHU-UHFFFAOYSA-N 1 2 298.281 1.760 20 30 CDEDLO C#CC1(O)CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000890526547 617196784 /nfs/dbraw/zinc/19/67/84/617196784.db2.gz ZJJQRHKBKISTMR-CQSZACIVSA-N 1 2 295.342 1.138 20 30 CDEDLO C#C[C@H](C)N(C)c1nc(NCC)[nH+]c(NC(C)(C)C)n1 ZINC000804660005 617213498 /nfs/dbraw/zinc/21/34/98/617213498.db2.gz CNIHSRPIZWHJFU-JTQLQIEISA-N 1 2 276.388 1.394 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000890650194 617249356 /nfs/dbraw/zinc/24/93/56/617249356.db2.gz CGVPATSTMAVHRY-QWHCGFSZSA-N 1 2 257.337 1.460 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnc3[nH]cnc3c2)C1 ZINC000950438046 612992833 /nfs/dbraw/zinc/99/28/33/612992833.db2.gz RBHKWYMJLKXITQ-UHFFFAOYSA-N 1 2 297.362 1.128 20 30 CDEDLO C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1[nH]nc(C)c1C ZINC000968791471 613147390 /nfs/dbraw/zinc/14/73/90/613147390.db2.gz RFSLLVWJVZDPAQ-CQSZACIVSA-N 1 2 288.395 1.634 20 30 CDEDLO C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1[nH]nc(C)c1C ZINC000968791471 613147392 /nfs/dbraw/zinc/14/73/92/613147392.db2.gz RFSLLVWJVZDPAQ-CQSZACIVSA-N 1 2 288.395 1.634 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2c(C)noc2C2CC2)CC1 ZINC000981631679 613156650 /nfs/dbraw/zinc/15/66/50/613156650.db2.gz VGSVSBRVCKPZPE-UHFFFAOYSA-N 1 2 287.363 1.642 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2c(C)noc2C2CC2)CC1 ZINC000981631679 613156652 /nfs/dbraw/zinc/15/66/52/613156652.db2.gz VGSVSBRVCKPZPE-UHFFFAOYSA-N 1 2 287.363 1.642 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C(CC)CC)CC2)C1 ZINC000949298837 613210102 /nfs/dbraw/zinc/21/01/02/613210102.db2.gz TXQVZRYLJXFAHN-UHFFFAOYSA-N 1 2 292.423 1.749 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C(CC)CC)CC2)C1 ZINC000949298837 613210104 /nfs/dbraw/zinc/21/01/04/613210104.db2.gz TXQVZRYLJXFAHN-UHFFFAOYSA-N 1 2 292.423 1.749 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cnc(CC)s2)C1 ZINC000968687797 613254570 /nfs/dbraw/zinc/25/45/70/613254570.db2.gz HDPPZXSPTILJMH-NWDGAFQWSA-N 1 2 291.420 1.779 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cnc(CC)s2)C1 ZINC000968687797 613254571 /nfs/dbraw/zinc/25/45/71/613254571.db2.gz HDPPZXSPTILJMH-NWDGAFQWSA-N 1 2 291.420 1.779 20 30 CDEDLO C=C(C)C[NH+]1CC([C@@H](C)NC(=O)c2[nH]ncc2F)C1 ZINC000970381051 613301160 /nfs/dbraw/zinc/30/11/60/613301160.db2.gz UEYGFRAHBHBTCI-SECBINFHSA-N 1 2 266.320 1.175 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@]2(C)CCCOC2)CC1 ZINC000952444972 613319447 /nfs/dbraw/zinc/31/94/47/613319447.db2.gz IYFBBTSJFUPOES-OAHLLOKOSA-N 1 2 266.385 1.523 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cccc(OC)n2)CC1 ZINC000957031885 613320886 /nfs/dbraw/zinc/32/08/86/613320886.db2.gz FSPFXCOOJORXKZ-UHFFFAOYSA-N 1 2 275.352 1.424 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cncn2C)C1 ZINC000970070532 613371959 /nfs/dbraw/zinc/37/19/59/613371959.db2.gz IBWLWGPXGPIDQL-SNVBAGLBSA-N 1 2 282.775 1.223 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cn(CC)nn2)C1 ZINC000970658589 613372456 /nfs/dbraw/zinc/37/24/56/613372456.db2.gz CULXMEXWNVRWGF-JTQLQIEISA-N 1 2 297.790 1.101 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2cc(C)no2)CC1 ZINC000980698615 613553985 /nfs/dbraw/zinc/55/39/85/613553985.db2.gz CAZOYSNSWTYSFW-UHFFFAOYSA-N 1 2 261.325 1.154 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2cc(C)no2)CC1 ZINC000980698615 613553987 /nfs/dbraw/zinc/55/39/87/613553987.db2.gz CAZOYSNSWTYSFW-UHFFFAOYSA-N 1 2 261.325 1.154 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2c[nH]cc3ncnc2-3)CC1 ZINC000981211103 613555815 /nfs/dbraw/zinc/55/58/15/613555815.db2.gz BNTLIPHRDIIONJ-UHFFFAOYSA-N 1 2 297.362 1.129 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2c[nH]cc3ncnc2-3)CC1 ZINC000981211103 613555816 /nfs/dbraw/zinc/55/58/16/613555816.db2.gz BNTLIPHRDIIONJ-UHFFFAOYSA-N 1 2 297.362 1.129 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC3CC3)C2)C1 ZINC000972218903 613570703 /nfs/dbraw/zinc/57/07/03/613570703.db2.gz QKXCITWLHBUJGM-MRXNPFEDSA-N 1 2 276.380 1.113 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)CC3CC3)C2)C1 ZINC000972218903 613570704 /nfs/dbraw/zinc/57/07/04/613570704.db2.gz QKXCITWLHBUJGM-MRXNPFEDSA-N 1 2 276.380 1.113 20 30 CDEDLO C=CC[NH+]1CC([C@H](C)NC(=O)c2n[nH]c3ccccc32)C1 ZINC000970834399 613673970 /nfs/dbraw/zinc/67/39/70/613673970.db2.gz ZHVCGBULJADGGL-NSHDSACASA-N 1 2 284.363 1.799 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCO[C@H]2CC)CC1 ZINC000949402083 613711093 /nfs/dbraw/zinc/71/10/93/613711093.db2.gz BYJTUQVOCFERTL-OLZOCXBDSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)C2CCOCC2)CC1 ZINC000957960768 613712212 /nfs/dbraw/zinc/71/22/12/613712212.db2.gz CFFJOPVAGAEHLS-CYBMUJFWSA-N 1 2 266.385 1.379 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](OC)c2ccccc2)CC1 ZINC000957391218 613712560 /nfs/dbraw/zinc/71/25/60/613712560.db2.gz QCXCWTQWYPQXOR-OAHLLOKOSA-N 1 2 274.364 1.704 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]nc2-c2ccco2)CC1 ZINC000957708114 613714298 /nfs/dbraw/zinc/71/42/98/613714298.db2.gz ATRQKEBTCMQODH-UHFFFAOYSA-N 1 2 286.335 1.614 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)n(C(C)C)n2)CC1 ZINC000957961844 613714304 /nfs/dbraw/zinc/71/43/04/613714304.db2.gz WUFGBJWDALFTFY-UHFFFAOYSA-N 1 2 276.384 1.716 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(-c3ccco3)n[nH]2)CC1 ZINC000950664222 613714479 /nfs/dbraw/zinc/71/44/79/613714479.db2.gz OKXTWCNZVOPMKL-UHFFFAOYSA-N 1 2 286.335 1.614 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(-n3cccn3)ccn2)CC1 ZINC000950444599 613714579 /nfs/dbraw/zinc/71/45/79/613714579.db2.gz KVMNTXVNSHHJAT-UHFFFAOYSA-N 1 2 297.362 1.211 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccnc(N(C)C)c2)CC1 ZINC000951119660 613717474 /nfs/dbraw/zinc/71/74/74/613717474.db2.gz ALOKKGZNTMGTCF-UHFFFAOYSA-N 1 2 274.368 1.091 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cn3c(n2)CCCC3)CC1 ZINC000948610931 613718346 /nfs/dbraw/zinc/71/83/46/613718346.db2.gz SHHOBBDBTKNEGD-UHFFFAOYSA-N 1 2 274.368 1.163 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC34CCC4)C2)C1 ZINC000972576138 613724409 /nfs/dbraw/zinc/72/44/09/613724409.db2.gz AIOSOLZMYZOERV-PBHICJAKSA-N 1 2 290.407 1.666 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC34CCC4)C2)C1 ZINC000972576138 613724413 /nfs/dbraw/zinc/72/44/13/613724413.db2.gz AIOSOLZMYZOERV-PBHICJAKSA-N 1 2 290.407 1.666 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC(C)(C)C)C2)C1 ZINC000972250234 613725256 /nfs/dbraw/zinc/72/52/56/613725256.db2.gz VKAIZJLPSYKRHY-MRXNPFEDSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CC(C)(C)C)C2)C1 ZINC000972250234 613725259 /nfs/dbraw/zinc/72/52/59/613725259.db2.gz VKAIZJLPSYKRHY-MRXNPFEDSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2[nH]ncc2F)C(C)(C)C1 ZINC000975021665 613812577 /nfs/dbraw/zinc/81/25/77/613812577.db2.gz WJLBVBWFWCYDSU-SNVBAGLBSA-N 1 2 266.320 1.175 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2[nH]ncc2F)C(C)(C)C1 ZINC000975021665 613812580 /nfs/dbraw/zinc/81/25/80/613812580.db2.gz WJLBVBWFWCYDSU-SNVBAGLBSA-N 1 2 266.320 1.175 20 30 CDEDLO CNC(=S)NN=C1CC[N@H+](Cc2ccccc2)C1 ZINC000839383872 618347892 /nfs/dbraw/zinc/34/78/92/618347892.db2.gz PJFMCGLRCZAJOZ-UHFFFAOYSA-N 1 2 262.382 1.342 20 30 CDEDLO CNC(=S)NN=C1CC[N@@H+](Cc2ccccc2)C1 ZINC000839383872 618347901 /nfs/dbraw/zinc/34/79/01/618347901.db2.gz PJFMCGLRCZAJOZ-UHFFFAOYSA-N 1 2 262.382 1.342 20 30 CDEDLO CC(=[NH+]NCC(F)F)c1cc([N+](=O)[O-])ccc1N ZINC000814853641 618727464 /nfs/dbraw/zinc/72/74/64/618727464.db2.gz SJEOLTUSQWOULJ-UHFFFAOYSA-N 1 2 258.228 1.756 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2nc3c(s2)CCC3)CCCN1O ZINC000895163550 619387046 /nfs/dbraw/zinc/38/70/46/619387046.db2.gz VXJSSGQBSLDLFK-SECBINFHSA-N 1 2 267.354 1.102 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896557804 620146798 /nfs/dbraw/zinc/14/67/98/620146798.db2.gz VZSAEFGCBHVYSB-UKRRQHHQSA-N 1 2 279.428 1.505 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000896557804 620146800 /nfs/dbraw/zinc/14/68/00/620146800.db2.gz VZSAEFGCBHVYSB-UKRRQHHQSA-N 1 2 279.428 1.505 20 30 CDEDLO C=C[C@H](C)ONC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000898281003 621457456 /nfs/dbraw/zinc/45/74/56/621457456.db2.gz NNQNKAZYFRIHFU-JOYOIKCWSA-N 1 2 264.329 1.412 20 30 CDEDLO C=C[C@H](C)ONC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000898281003 621457467 /nfs/dbraw/zinc/45/74/67/621457467.db2.gz NNQNKAZYFRIHFU-JOYOIKCWSA-N 1 2 264.329 1.412 20 30 CDEDLO COCCn1nc(C)c(C(=O)/C=C\c2c[nH+]cn2C)c1C ZINC000901488348 624289028 /nfs/dbraw/zinc/28/90/28/624289028.db2.gz INHJVKXFOOVJLB-WAYWQWQTSA-N 1 2 288.351 1.776 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCC[C@@H]2CCNC2=O)ccc1F ZINC000902223946 624573608 /nfs/dbraw/zinc/57/36/08/624573608.db2.gz XRBSVYORHSZKDI-JTQLQIEISA-N 1 2 279.315 1.297 20 30 CDEDLO C[C@@H](NC(=O)c1ccsc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000906582937 627336983 /nfs/dbraw/zinc/33/69/83/627336983.db2.gz RIQSYWHOIHZZAT-MNOVXSKESA-N 1 2 293.392 1.459 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NN1[C@H](C)CCC[C@H]1C ZINC000907986880 627955113 /nfs/dbraw/zinc/95/51/13/627955113.db2.gz RTDJISDNTPMSMM-MCIONIFRSA-N 1 2 263.385 1.378 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NN1[C@H](C)CCC[C@H]1C ZINC000907986880 627955116 /nfs/dbraw/zinc/95/51/16/627955116.db2.gz RTDJISDNTPMSMM-MCIONIFRSA-N 1 2 263.385 1.378 20 30 CDEDLO C[Si](C)(C)C#CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000912327657 629938702 /nfs/dbraw/zinc/93/87/02/629938702.db2.gz RMBGNSMYDMDJGY-CYBMUJFWSA-N 1 2 289.455 1.833 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccsc1C#N ZINC000912387892 629977536 /nfs/dbraw/zinc/97/75/36/629977536.db2.gz CRFHXBFERHNPMC-MNOVXSKESA-N 1 2 293.392 1.459 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccsc1C#N ZINC000912387892 629977539 /nfs/dbraw/zinc/97/75/39/629977539.db2.gz CRFHXBFERHNPMC-MNOVXSKESA-N 1 2 293.392 1.459 20 30 CDEDLO CC(C)(C#N)CS(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000914231665 631278202 /nfs/dbraw/zinc/27/82/02/631278202.db2.gz QCGMCYDCGVMWHS-UHFFFAOYSA-N 1 2 296.396 1.469 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000840754203 631856754 /nfs/dbraw/zinc/85/67/54/631856754.db2.gz HRPQKLVCNGAJFE-JTQLQIEISA-N 1 2 297.286 1.319 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000840754203 631856759 /nfs/dbraw/zinc/85/67/59/631856759.db2.gz HRPQKLVCNGAJFE-JTQLQIEISA-N 1 2 297.286 1.319 20 30 CDEDLO C=CC[N@@H+](C)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000154973844 632580663 /nfs/dbraw/zinc/58/06/63/632580663.db2.gz RCMDSQDOKSCRHU-UHFFFAOYSA-N 1 2 298.346 1.398 20 30 CDEDLO C=CC[N@H+](C)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000154973844 632580668 /nfs/dbraw/zinc/58/06/68/632580668.db2.gz RCMDSQDOKSCRHU-UHFFFAOYSA-N 1 2 298.346 1.398 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CC12CCC2 ZINC001690980273 1158511916 /nfs/dbraw/zinc/51/19/16/1158511916.db2.gz BTBOOXMOPZPGFM-NSHDSACASA-N 1 2 256.777 1.977 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CC12CCC2 ZINC001690980273 1158511918 /nfs/dbraw/zinc/51/19/18/1158511918.db2.gz BTBOOXMOPZPGFM-NSHDSACASA-N 1 2 256.777 1.977 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)CC)C1 ZINC001149167009 1158733853 /nfs/dbraw/zinc/73/38/53/1158733853.db2.gz BCEOZYWDDKUQCD-AAEUAGOBSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)CC)C1 ZINC001149167009 1158733857 /nfs/dbraw/zinc/73/38/57/1158733857.db2.gz BCEOZYWDDKUQCD-AAEUAGOBSA-N 1 2 288.819 1.992 20 30 CDEDLO CCc1noc([C@H](C)[NH2+]C[C@@H](C)NC(=O)C#CC(C)C)n1 ZINC001754226628 1158983229 /nfs/dbraw/zinc/98/32/29/1158983229.db2.gz UZZRIOFIDLLZKA-NEPJUHHUSA-N 1 2 292.383 1.447 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cscn3)C[C@H]21 ZINC001114201990 1162450336 /nfs/dbraw/zinc/45/03/36/1162450336.db2.gz YGXKHTMNRPFQIT-NHAGDIPZSA-N 1 2 289.404 1.493 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cscn3)C[C@H]21 ZINC001114201990 1162450338 /nfs/dbraw/zinc/45/03/38/1162450338.db2.gz YGXKHTMNRPFQIT-NHAGDIPZSA-N 1 2 289.404 1.493 20 30 CDEDLO CC(C)C#CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3ncccn3)C[C@H]21 ZINC001114247646 1162460211 /nfs/dbraw/zinc/46/02/11/1162460211.db2.gz OASVFIISVVZVCP-TTZDDIAXSA-N 1 2 298.390 1.243 20 30 CDEDLO CC(C)C#CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3ncccn3)C[C@H]21 ZINC001114247646 1162460213 /nfs/dbraw/zinc/46/02/13/1162460213.db2.gz OASVFIISVVZVCP-TTZDDIAXSA-N 1 2 298.390 1.243 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC(C)(C)O)CC[C@H]1C ZINC001132009064 1163142016 /nfs/dbraw/zinc/14/20/16/1163142016.db2.gz GAOMZWXIGPMSPE-NEPJUHHUSA-N 1 2 288.819 1.869 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC(C)(C)O)CC[C@H]1C ZINC001132009064 1163142020 /nfs/dbraw/zinc/14/20/20/1163142020.db2.gz GAOMZWXIGPMSPE-NEPJUHHUSA-N 1 2 288.819 1.869 20 30 CDEDLO Cc1[nH]c(CNC(=O)c2cnn(CCC#N)c2C)[nH+]c1C ZINC000826715982 1161939944 /nfs/dbraw/zinc/93/99/44/1161939944.db2.gz VYYQSOPZZSVRPG-UHFFFAOYSA-N 1 2 286.339 1.375 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2ccccc2[nH]1 ZINC001085961802 1161957187 /nfs/dbraw/zinc/95/71/87/1161957187.db2.gz PDNVYYGERRFWMX-AWEZNQCLSA-N 1 2 281.359 1.947 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2ccccc2[nH]1 ZINC001085961802 1161957188 /nfs/dbraw/zinc/95/71/88/1161957188.db2.gz PDNVYYGERRFWMX-AWEZNQCLSA-N 1 2 281.359 1.947 20 30 CDEDLO C=CCCOCC(=O)N[C@H](C)[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001113074227 1162094066 /nfs/dbraw/zinc/09/40/66/1162094066.db2.gz BXYWEPMHYXRPBA-VXGBXAGGSA-N 1 2 292.383 1.683 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001113241778 1162136620 /nfs/dbraw/zinc/13/66/20/1162136620.db2.gz PEMCDZARCKHNQM-CQSZACIVSA-N 1 2 290.411 1.667 20 30 CDEDLO N#Cc1cc(CC(=O)NCCOc2cc[nH+]cc2)ccn1 ZINC001177674603 1164316123 /nfs/dbraw/zinc/31/61/23/1164316123.db2.gz JRTXRSLKFHRBEP-UHFFFAOYSA-N 1 2 282.303 1.086 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1-c1ccc(OC)cc1C#N ZINC001212780004 1165933406 /nfs/dbraw/zinc/93/34/06/1165933406.db2.gz QNRCIDYLHHLUKP-UHFFFAOYSA-N 1 2 286.291 1.511 20 30 CDEDLO N#Cc1cccc(N2CC[NH+](Cc3cncnc3)CC2)c1 ZINC001137670265 1167029104 /nfs/dbraw/zinc/02/91/04/1167029104.db2.gz HSWRGJYFTKJQJN-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)Nc1nc2cc(C#N)ccc2[nH]1 ZINC001642732721 1167192939 /nfs/dbraw/zinc/19/29/39/1167192939.db2.gz IDUAJRXBTOKIII-UHFFFAOYSA-N 1 2 280.291 1.349 20 30 CDEDLO CC[C@@H](C(=O)NC[C@@H](C)C#N)[N@@H+]1CCO[C@H](CC)C1 ZINC001565775526 1168167813 /nfs/dbraw/zinc/16/78/13/1168167813.db2.gz CJQYGIWNOFPYDF-XQQFMLRXSA-N 1 2 267.373 1.152 20 30 CDEDLO CC[C@@H](C(=O)NC[C@@H](C)C#N)[N@H+]1CCO[C@H](CC)C1 ZINC001565775526 1168167816 /nfs/dbraw/zinc/16/78/16/1168167816.db2.gz CJQYGIWNOFPYDF-XQQFMLRXSA-N 1 2 267.373 1.152 20 30 CDEDLO COc1cc(C#N)ccc1OC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC001574012423 1170864213 /nfs/dbraw/zinc/86/42/13/1170864213.db2.gz KMYLSPOOQZTHLI-IAQYHMDHSA-N 1 2 290.319 1.239 20 30 CDEDLO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](C)CC#N ZINC001591558816 1173667974 /nfs/dbraw/zinc/66/79/74/1173667974.db2.gz VSGOGQCJDZOACA-VIFPVBQESA-N 1 2 272.312 1.267 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(CC)CC)C1 ZINC001713962590 1178893418 /nfs/dbraw/zinc/89/34/18/1178893418.db2.gz POSNIDMSMBWGLP-ZDUSSCGKSA-N 1 2 295.427 1.305 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(CC)CC)C1 ZINC001713962590 1178893430 /nfs/dbraw/zinc/89/34/30/1178893430.db2.gz POSNIDMSMBWGLP-ZDUSSCGKSA-N 1 2 295.427 1.305 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)CCc2csc(C)n2)C1 ZINC001753390795 1185182568 /nfs/dbraw/zinc/18/25/68/1185182568.db2.gz ZQDTZBKFXDYYOA-UHFFFAOYSA-N 1 2 279.409 1.761 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C[C@H]2C=CCC2)C1 ZINC001753646652 1185284398 /nfs/dbraw/zinc/28/43/98/1185284398.db2.gz VGRBPMBCIACRJE-KBPBESRZSA-N 1 2 264.369 1.346 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C[C@H]2C=CCC2)C1 ZINC001753646652 1185284403 /nfs/dbraw/zinc/28/44/03/1185284403.db2.gz VGRBPMBCIACRJE-KBPBESRZSA-N 1 2 264.369 1.346 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)CCc2ccccc2)C1 ZINC001753657031 1185289389 /nfs/dbraw/zinc/28/93/89/1185289389.db2.gz XKDVAKLLDSYISX-INIZCTEOSA-N 1 2 288.391 1.622 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)CCc2ccccc2)C1 ZINC001753657031 1185289395 /nfs/dbraw/zinc/28/93/95/1185289395.db2.gz XKDVAKLLDSYISX-INIZCTEOSA-N 1 2 288.391 1.622 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC1([NH2+]Cc2nnc(C)[nH]2)CC1 ZINC001754515323 1185654464 /nfs/dbraw/zinc/65/44/64/1185654464.db2.gz UELXKKIDIFEIBQ-UHFFFAOYSA-N 1 2 291.399 1.454 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)C(C)(C)COC)C1 ZINC001754577899 1185672770 /nfs/dbraw/zinc/67/27/70/1185672770.db2.gz NCDNFOQNPWOVQT-UHFFFAOYSA-N 1 2 284.400 1.004 20 30 CDEDLO C[C@@H](CC(=O)NC1(C)CCN(CC#N)CC1)n1cc[nH+]c1 ZINC001754628828 1185689140 /nfs/dbraw/zinc/68/91/40/1185689140.db2.gz HNAJBLASEYONMI-ZDUSSCGKSA-N 1 2 289.383 1.328 20 30 CDEDLO C=CCCC(=O)NC[C@]1(O)CC[N@@H+](Cc2cc(C)on2)C1 ZINC001754746246 1185721283 /nfs/dbraw/zinc/72/12/83/1185721283.db2.gz PDEFNJZHGHDUKT-OAHLLOKOSA-N 1 2 293.367 1.002 20 30 CDEDLO C=CCCC(=O)NC[C@]1(O)CC[N@H+](Cc2cc(C)on2)C1 ZINC001754746246 1185721295 /nfs/dbraw/zinc/72/12/95/1185721295.db2.gz PDEFNJZHGHDUKT-OAHLLOKOSA-N 1 2 293.367 1.002 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1cc(OC)no1 ZINC001755311175 1185911280 /nfs/dbraw/zinc/91/12/80/1185911280.db2.gz JTCJTLBMZBQCDD-LLVKDONJSA-N 1 2 295.383 1.832 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[N@H+](C)Cc1cc(OC)no1 ZINC001755311175 1185911282 /nfs/dbraw/zinc/91/12/82/1185911282.db2.gz JTCJTLBMZBQCDD-LLVKDONJSA-N 1 2 295.383 1.832 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)C[C@H]2CCOC2)CC1 ZINC001755884487 1186100010 /nfs/dbraw/zinc/10/00/10/1186100010.db2.gz VPRRGLDHVLMWEM-CQSZACIVSA-N 1 2 298.814 1.914 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)C[C@H]2CCOC2)CC1 ZINC001755884487 1186100011 /nfs/dbraw/zinc/10/00/11/1186100011.db2.gz VPRRGLDHVLMWEM-CQSZACIVSA-N 1 2 298.814 1.914 20 30 CDEDLO Cc1nc(C#N)cc(Nc2ccc(N(C)C)[nH+]c2)n1 ZINC000308159638 1186660447 /nfs/dbraw/zinc/66/04/47/1186660447.db2.gz CXLNGSOISVHBDI-UHFFFAOYSA-N 1 2 254.297 1.861 20 30 CDEDLO C=CC[NH+]1CCN(c2ncc(C(=O)OC)cc2F)CC1 ZINC001165031719 721866095 /nfs/dbraw/zinc/86/60/95/721866095.db2.gz RTKJNERFHPYRGD-UHFFFAOYSA-N 1 2 279.315 1.315 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccn(CC)n2)C1 ZINC001014514054 736343515 /nfs/dbraw/zinc/34/35/15/736343515.db2.gz VRMYDKHFOAJOSX-CYBMUJFWSA-N 1 2 296.802 1.389 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccn(CC)n2)C1 ZINC001014514054 736343524 /nfs/dbraw/zinc/34/35/24/736343524.db2.gz VRMYDKHFOAJOSX-CYBMUJFWSA-N 1 2 296.802 1.389 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1conc1CC ZINC001038671947 736347186 /nfs/dbraw/zinc/34/71/86/736347186.db2.gz XSGLDCDBFPJSOV-NSHDSACASA-N 1 2 261.325 1.064 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c1O[C@H](C)C2 ZINC001032526369 736508140 /nfs/dbraw/zinc/50/81/40/736508140.db2.gz VBWINPXOGSRNFY-SNPRPXQTSA-N 1 2 296.370 1.542 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c1O[C@H](C)C2 ZINC001032526369 736508142 /nfs/dbraw/zinc/50/81/42/736508142.db2.gz VBWINPXOGSRNFY-SNPRPXQTSA-N 1 2 296.370 1.542 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC12CCCCC2 ZINC000884317112 736520510 /nfs/dbraw/zinc/52/05/10/736520510.db2.gz LNJTZTXYBSGBGS-RYUDHWBXSA-N 1 2 280.368 1.272 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCCC[C@@H]1CC=C ZINC000884395446 736535428 /nfs/dbraw/zinc/53/54/28/736535428.db2.gz BWWKRFCTWJXXSE-IHRRRGAJSA-N 1 2 294.395 1.684 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc[nH]c1 ZINC001050931069 736548820 /nfs/dbraw/zinc/54/88/20/736548820.db2.gz IFXKZOHOZLOYKL-CYBMUJFWSA-N 1 2 263.341 1.021 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc[nH]c1 ZINC001050931069 736548822 /nfs/dbraw/zinc/54/88/22/736548822.db2.gz IFXKZOHOZLOYKL-CYBMUJFWSA-N 1 2 263.341 1.021 20 30 CDEDLO C=C(C)CN1CC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001043091489 736569032 /nfs/dbraw/zinc/56/90/32/736569032.db2.gz LHVXIXNMECMHRV-UHFFFAOYSA-N 1 2 284.363 1.895 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001043091489 736569037 /nfs/dbraw/zinc/56/90/37/736569037.db2.gz LHVXIXNMECMHRV-UHFFFAOYSA-N 1 2 284.363 1.895 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(N(C)C(C)C)cc1 ZINC001039074280 736604729 /nfs/dbraw/zinc/60/47/29/736604729.db2.gz YKRLASRLNPXPTD-QGZVFWFLSA-N 1 2 299.418 1.969 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N(C)C(C)C)cc1 ZINC001039074280 736604732 /nfs/dbraw/zinc/60/47/32/736604732.db2.gz YKRLASRLNPXPTD-QGZVFWFLSA-N 1 2 299.418 1.969 20 30 CDEDLO C#CCOCC[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000852061869 736605654 /nfs/dbraw/zinc/60/56/54/736605654.db2.gz SSXRSZZFEBLAOJ-UHFFFAOYSA-N 1 2 290.392 1.095 20 30 CDEDLO C#CCCN1CC[NH+](CCC(=O)OCCCC)CC1 ZINC000776594843 736691547 /nfs/dbraw/zinc/69/15/47/736691547.db2.gz YNDBFYIRCILHDD-UHFFFAOYSA-N 1 2 266.385 1.361 20 30 CDEDLO C=C(C)C[C@@H](CO)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000882903325 736768348 /nfs/dbraw/zinc/76/83/48/736768348.db2.gz ZXAINHLODCBNIM-PWSUYJOCSA-N 1 2 251.330 1.032 20 30 CDEDLO C=C(C)C[C@@H](CO)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000882903325 736768351 /nfs/dbraw/zinc/76/83/51/736768351.db2.gz ZXAINHLODCBNIM-PWSUYJOCSA-N 1 2 251.330 1.032 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2nccn2c1 ZINC001018157909 736756132 /nfs/dbraw/zinc/75/61/32/736756132.db2.gz QGAFYMABMOHSHY-GASCZTMLSA-N 1 2 294.358 1.256 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2nccn2c1 ZINC001018157909 736756141 /nfs/dbraw/zinc/75/61/41/736756141.db2.gz QGAFYMABMOHSHY-GASCZTMLSA-N 1 2 294.358 1.256 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3nonc3c2)C1 ZINC001043723027 736821114 /nfs/dbraw/zinc/82/11/14/736821114.db2.gz JHOCXOYBMJEDCK-UHFFFAOYSA-N 1 2 284.319 1.002 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnsn2)C1 ZINC001054977054 736833840 /nfs/dbraw/zinc/83/38/40/736833840.db2.gz SXHKFGSBOKKYRV-ZYHUDNBSSA-N 1 2 294.424 1.687 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1COCC[N@H+]1CCC ZINC001051155172 736873460 /nfs/dbraw/zinc/87/34/60/736873460.db2.gz KRGSMKZAVLXMPP-KKUMJFAQSA-N 1 2 296.411 1.195 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1COCC[N@@H+]1CCC ZINC001051155172 736873463 /nfs/dbraw/zinc/87/34/63/736873463.db2.gz KRGSMKZAVLXMPP-KKUMJFAQSA-N 1 2 296.411 1.195 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn2cc(C)nc2c1 ZINC001038708210 736915020 /nfs/dbraw/zinc/91/50/20/736915020.db2.gz NJJPPKOMCJFTLM-HNNXBMFYSA-N 1 2 296.374 1.470 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccn2cc(C)nc2c1 ZINC001038708210 736915026 /nfs/dbraw/zinc/91/50/26/736915026.db2.gz NJJPPKOMCJFTLM-HNNXBMFYSA-N 1 2 296.374 1.470 20 30 CDEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](CCCF)C2)cn1 ZINC001044206125 736917715 /nfs/dbraw/zinc/91/77/15/736917715.db2.gz UOMUSLVGRMTBPO-UHFFFAOYSA-N 1 2 275.327 1.179 20 30 CDEDLO C#C[C@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000826547688 736936858 /nfs/dbraw/zinc/93/68/58/736936858.db2.gz DCXRAEZKMZIJHT-GJZGRUSLSA-N 1 2 294.358 1.872 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)cc1OC ZINC001038648983 736979697 /nfs/dbraw/zinc/97/96/97/736979697.db2.gz VUEDSORDSZGOBH-LBPRGKRZSA-N 1 2 292.766 1.786 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)cc1OC ZINC001038648983 736979703 /nfs/dbraw/zinc/97/97/03/736979703.db2.gz VUEDSORDSZGOBH-LBPRGKRZSA-N 1 2 292.766 1.786 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000795188447 737009314 /nfs/dbraw/zinc/00/93/14/737009314.db2.gz BZSKBWVDTSPXEN-CYBMUJFWSA-N 1 2 289.354 1.086 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000795188447 737009317 /nfs/dbraw/zinc/00/93/17/737009317.db2.gz BZSKBWVDTSPXEN-CYBMUJFWSA-N 1 2 289.354 1.086 20 30 CDEDLO C=CCC1(O)CC[NH+](Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000884478020 737052371 /nfs/dbraw/zinc/05/23/71/737052371.db2.gz OAUAANPAIOIXJD-UHFFFAOYSA-N 1 2 294.355 1.769 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CCNc1ccc(C)nc1C#N ZINC000882719331 737076388 /nfs/dbraw/zinc/07/63/88/737076388.db2.gz IYCVZPIILYDUAC-CYBMUJFWSA-N 1 2 274.368 1.784 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CCNc1ccc(C)nc1C#N ZINC000882719331 737076393 /nfs/dbraw/zinc/07/63/93/737076393.db2.gz IYCVZPIILYDUAC-CYBMUJFWSA-N 1 2 274.368 1.784 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000890649497 737166915 /nfs/dbraw/zinc/16/69/15/737166915.db2.gz CUILIBKMEAXYAY-CYBMUJFWSA-N 1 2 280.331 1.895 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)cs1 ZINC001038234007 737178883 /nfs/dbraw/zinc/17/88/83/737178883.db2.gz IRLKOYFEFUZMNX-LBPRGKRZSA-N 1 2 262.378 1.884 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)cs1 ZINC001038234007 737178887 /nfs/dbraw/zinc/17/88/87/737178887.db2.gz IRLKOYFEFUZMNX-LBPRGKRZSA-N 1 2 262.378 1.884 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2c(C)cccn2c1 ZINC001038917778 737205653 /nfs/dbraw/zinc/20/56/53/737205653.db2.gz FIUCCWBNBWSPCG-OAHLLOKOSA-N 1 2 281.359 1.685 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c(C)cccn2c1 ZINC001038917778 737205658 /nfs/dbraw/zinc/20/56/58/737205658.db2.gz FIUCCWBNBWSPCG-OAHLLOKOSA-N 1 2 281.359 1.685 20 30 CDEDLO Cc1nc(C)c(C=NNc2cc(C)[nH+]c(N)n2)s1 ZINC000872420559 737215590 /nfs/dbraw/zinc/21/55/90/737215590.db2.gz TVWPMDYPAYTEFJ-UHFFFAOYSA-N 1 2 262.342 1.887 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)c2cccnc2)C1 ZINC001031273746 737219473 /nfs/dbraw/zinc/21/94/73/737219473.db2.gz FMRGRQKNLYIYMV-GFCCVEGCSA-N 1 2 259.353 1.562 20 30 CDEDLO Cc1csc(CC(=[NH2+])NOC=C(O)c2cccn2C)n1 ZINC000194341450 738482672 /nfs/dbraw/zinc/48/26/72/738482672.db2.gz KFUGSWDQBHKYND-UHFFFAOYSA-N 1 2 292.364 1.504 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2CCC[C@@H](OC)C2)C1 ZINC001030417590 737237726 /nfs/dbraw/zinc/23/77/26/737237726.db2.gz RQFWXLSOVKJOPC-TZMCWYRMSA-N 1 2 266.385 1.568 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1Cc2ccccc2C1 ZINC001032645574 737257925 /nfs/dbraw/zinc/25/79/25/737257925.db2.gz ZHAZZGCFVXSLNL-ROUUACIJSA-N 1 2 294.398 1.710 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1Cc2ccccc2C1 ZINC001032645574 737257932 /nfs/dbraw/zinc/25/79/32/737257932.db2.gz ZHAZZGCFVXSLNL-ROUUACIJSA-N 1 2 294.398 1.710 20 30 CDEDLO CC(C)ON=C(N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181850174 737341197 /nfs/dbraw/zinc/34/11/97/737341197.db2.gz KLHLWBYIMZXCPF-AWEZNQCLSA-N 1 2 277.368 1.585 20 30 CDEDLO CC(C)ON=C(N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181850174 737341200 /nfs/dbraw/zinc/34/12/00/737341200.db2.gz KLHLWBYIMZXCPF-AWEZNQCLSA-N 1 2 277.368 1.585 20 30 CDEDLO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2[nH]nnc2c1 ZINC001028310995 737275157 /nfs/dbraw/zinc/27/51/57/737275157.db2.gz CHICXVFPFFKZTL-GFCCVEGCSA-N 1 2 285.351 1.338 20 30 CDEDLO C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2[nH]nnc2c1 ZINC001028310995 737275162 /nfs/dbraw/zinc/27/51/62/737275162.db2.gz CHICXVFPFFKZTL-GFCCVEGCSA-N 1 2 285.351 1.338 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)[nH]1 ZINC000874893256 737385698 /nfs/dbraw/zinc/38/56/98/737385698.db2.gz PUCJNHQKXNTLII-HNNXBMFYSA-N 1 2 298.321 1.812 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3cc[nH]c32)C1 ZINC001030991756 737401957 /nfs/dbraw/zinc/40/19/57/737401957.db2.gz BFXKTHALEQSRFV-UHFFFAOYSA-N 1 2 267.332 1.605 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001038785597 737445024 /nfs/dbraw/zinc/44/50/24/737445024.db2.gz JCPAETQWSOLRQI-MXASKKJJSA-N 1 2 280.371 1.396 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001038785597 737445041 /nfs/dbraw/zinc/44/50/41/737445041.db2.gz JCPAETQWSOLRQI-MXASKKJJSA-N 1 2 280.371 1.396 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2ccccc2C#N)CC1 ZINC000255909118 737460867 /nfs/dbraw/zinc/46/08/67/737460867.db2.gz RLCLDQQSPKYHFP-FPLPWBNLSA-N 1 2 279.343 1.349 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@@](C)(NC(C)=O)C2)c1 ZINC001046090620 737478586 /nfs/dbraw/zinc/47/85/86/737478586.db2.gz ZXQUKWZVNRXZMV-QGZVFWFLSA-N 1 2 299.374 1.207 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@](C)(NC(C)=O)C2)c1 ZINC001046090620 737478588 /nfs/dbraw/zinc/47/85/88/737478588.db2.gz ZXQUKWZVNRXZMV-QGZVFWFLSA-N 1 2 299.374 1.207 20 30 CDEDLO Cc1nc(N[C@H]2C[C@H](C)N(C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001069089195 737570702 /nfs/dbraw/zinc/57/07/02/737570702.db2.gz BFOUWAABNVJQGP-FZMZJTMJSA-N 1 2 284.363 1.600 20 30 CDEDLO C#CCCCCNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000789092626 737608259 /nfs/dbraw/zinc/60/82/59/737608259.db2.gz QQTRSIFJAHAWEC-CQSZACIVSA-N 1 2 281.400 1.152 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccc(OC)cc2)C1 ZINC001044224516 737625797 /nfs/dbraw/zinc/62/57/97/737625797.db2.gz SEPPGEJBDVTMPD-UHFFFAOYSA-N 1 2 274.364 1.566 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cncc(F)c1 ZINC001050864340 737626173 /nfs/dbraw/zinc/62/61/73/737626173.db2.gz AXUZFLAVGRMBSS-AWEZNQCLSA-N 1 2 293.342 1.227 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cncc(F)c1 ZINC001050864340 737626177 /nfs/dbraw/zinc/62/61/77/737626177.db2.gz AXUZFLAVGRMBSS-AWEZNQCLSA-N 1 2 293.342 1.227 20 30 CDEDLO CC#CCCNC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000776126989 737648713 /nfs/dbraw/zinc/64/87/13/737648713.db2.gz IQGQYYINKPAKGH-UHFFFAOYSA-N 1 2 275.352 1.920 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001038562167 737668994 /nfs/dbraw/zinc/66/89/94/737668994.db2.gz ASZCGBKBHFJYQD-MRVPVSSYSA-N 1 2 286.162 1.759 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001038562167 737669006 /nfs/dbraw/zinc/66/90/06/737669006.db2.gz ASZCGBKBHFJYQD-MRVPVSSYSA-N 1 2 286.162 1.759 20 30 CDEDLO C#CC[N@H+]1CCCC[C@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001034287060 737694157 /nfs/dbraw/zinc/69/41/57/737694157.db2.gz MSFCHXXSCCOBBH-LBPRGKRZSA-N 1 2 286.379 1.116 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001034287060 737694158 /nfs/dbraw/zinc/69/41/58/737694158.db2.gz MSFCHXXSCCOBBH-LBPRGKRZSA-N 1 2 286.379 1.116 20 30 CDEDLO Cc1cn(C(C)(C)C(=O)N2CCC[C@H](NCC#N)C2)c[nH+]1 ZINC000999480072 737699941 /nfs/dbraw/zinc/69/99/41/737699941.db2.gz BXXMBNQZZQCZJL-ZDUSSCGKSA-N 1 2 289.383 1.031 20 30 CDEDLO C[C@H]1C[C@@H]([NH2+]Cc2csnn2)CN1C(=O)C#CC1CC1 ZINC000988826990 737739216 /nfs/dbraw/zinc/73/92/16/737739216.db2.gz QLILLUVCXOJNTB-CMPLNLGQSA-N 1 2 290.392 1.031 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cccnc1Cl ZINC000846988471 737751780 /nfs/dbraw/zinc/75/17/80/737751780.db2.gz SKGRPDYLZMKROP-VIFPVBQESA-N 1 2 266.732 1.955 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccnc2C2CC2)C1 ZINC001030611329 737756917 /nfs/dbraw/zinc/75/69/17/737756917.db2.gz YVYZLSGJVUFBAC-UHFFFAOYSA-N 1 2 271.364 1.949 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(-n2cccn2)c1 ZINC001038820302 737767280 /nfs/dbraw/zinc/76/72/80/737767280.db2.gz BZLSDWDTHGCTSE-MRXNPFEDSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(-n2cccn2)c1 ZINC001038820302 737767284 /nfs/dbraw/zinc/76/72/84/737767284.db2.gz BZLSDWDTHGCTSE-MRXNPFEDSA-N 1 2 294.358 1.310 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cscn1 ZINC001050842696 737861914 /nfs/dbraw/zinc/86/19/14/737861914.db2.gz XFSAQSXDHDHBDF-NSHDSACASA-N 1 2 281.381 1.150 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cscn1 ZINC001050842696 737861915 /nfs/dbraw/zinc/86/19/15/737861915.db2.gz XFSAQSXDHDHBDF-NSHDSACASA-N 1 2 281.381 1.150 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2c(C)noc2C(F)F)C1 ZINC001030501056 737890907 /nfs/dbraw/zinc/89/09/07/737890907.db2.gz WRFDUHYWNBIPBL-UHFFFAOYSA-N 1 2 285.294 1.911 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cscn2)C1 ZINC001035314391 738078121 /nfs/dbraw/zinc/07/81/21/738078121.db2.gz WGGBKKVNUZLOQP-NSHDSACASA-N 1 2 281.381 1.150 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cscn2)C1 ZINC001035314391 738078125 /nfs/dbraw/zinc/07/81/25/738078125.db2.gz WGGBKKVNUZLOQP-NSHDSACASA-N 1 2 281.381 1.150 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2nccnc2N)C1 ZINC001046203799 738004516 /nfs/dbraw/zinc/00/45/16/738004516.db2.gz AOSRYLNYZAMUAK-ZDUSSCGKSA-N 1 2 295.774 1.006 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2nccnc2N)C1 ZINC001046203799 738004519 /nfs/dbraw/zinc/00/45/19/738004519.db2.gz AOSRYLNYZAMUAK-ZDUSSCGKSA-N 1 2 295.774 1.006 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C=C(C)C)C[C@@H]21 ZINC001074155001 738006155 /nfs/dbraw/zinc/00/61/55/738006155.db2.gz NCCHDGVKOQODDA-GJZGRUSLSA-N 1 2 276.380 1.278 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C=C(C)C)C[C@@H]21 ZINC001074155001 738006160 /nfs/dbraw/zinc/00/61/60/738006160.db2.gz NCCHDGVKOQODDA-GJZGRUSLSA-N 1 2 276.380 1.278 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)[C@@H]2C)CC1 ZINC000993740093 738017450 /nfs/dbraw/zinc/01/74/50/738017450.db2.gz HUDDNILJFFOVEV-TZMCWYRMSA-N 1 2 293.411 1.187 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)[C@@H]2C)CC1 ZINC000993740093 738017453 /nfs/dbraw/zinc/01/74/53/738017453.db2.gz HUDDNILJFFOVEV-TZMCWYRMSA-N 1 2 293.411 1.187 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn(CC(C)C)c2)C1 ZINC001044096416 738080876 /nfs/dbraw/zinc/08/08/76/738080876.db2.gz YEFXQZLXWPBFLV-UHFFFAOYSA-N 1 2 290.411 1.871 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2nn(C)c3ccccc32)C1 ZINC001031282854 738044585 /nfs/dbraw/zinc/04/45/85/738044585.db2.gz WYYFTQQMJOCEBL-UHFFFAOYSA-N 1 2 282.347 1.011 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)cccc1F ZINC001039089139 738051398 /nfs/dbraw/zinc/05/13/98/738051398.db2.gz WIBJQGQBGRNJAJ-LBPRGKRZSA-N 1 2 260.312 1.571 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)cccc1F ZINC001039089139 738051403 /nfs/dbraw/zinc/05/14/03/738051403.db2.gz WIBJQGQBGRNJAJ-LBPRGKRZSA-N 1 2 260.312 1.571 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)c3ccccc32)C1 ZINC000923564411 738060197 /nfs/dbraw/zinc/06/01/97/738060197.db2.gz QVSGQSQOMLFSSW-CJNGLKHVSA-N 1 2 296.370 1.570 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)c3ccccc32)C1 ZINC000923564411 738060203 /nfs/dbraw/zinc/06/02/03/738060203.db2.gz QVSGQSQOMLFSSW-CJNGLKHVSA-N 1 2 296.370 1.570 20 30 CDEDLO C#Cc1cccc(CNc2cc(N3CCOCC3)nc[nH+]2)c1 ZINC000829463481 738062893 /nfs/dbraw/zinc/06/28/93/738062893.db2.gz MOHYYHPQMPLDSN-UHFFFAOYSA-N 1 2 294.358 1.907 20 30 CDEDLO C#Cc1cccc(CNc2cc(N3CCOCC3)[nH+]cn2)c1 ZINC000829463481 738062898 /nfs/dbraw/zinc/06/28/98/738062898.db2.gz MOHYYHPQMPLDSN-UHFFFAOYSA-N 1 2 294.358 1.907 20 30 CDEDLO C#CCO[C@H](C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000822325894 738069114 /nfs/dbraw/zinc/06/91/14/738069114.db2.gz AALQXSKJAPXTRJ-CYBMUJFWSA-N 1 2 287.363 1.336 20 30 CDEDLO Cc1nonc1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000809744861 738072278 /nfs/dbraw/zinc/07/22/78/738072278.db2.gz GNMQZILVUYDJCH-JTQLQIEISA-N 1 2 272.308 1.959 20 30 CDEDLO C=CC[N@H+](CN1C(=O)CC2(CCC2)C1=O)[C@H](C)COC ZINC000853534807 738095836 /nfs/dbraw/zinc/09/58/36/738095836.db2.gz MNHKHMYPHSCZPF-GFCCVEGCSA-N 1 2 280.368 1.396 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)CC2(CCC2)C1=O)[C@H](C)COC ZINC000853534807 738095842 /nfs/dbraw/zinc/09/58/42/738095842.db2.gz MNHKHMYPHSCZPF-GFCCVEGCSA-N 1 2 280.368 1.396 20 30 CDEDLO C=C(Br)C[N@H+]1CCC[C@H](OCCO)C1 ZINC000172100406 738112890 /nfs/dbraw/zinc/11/28/90/738112890.db2.gz QOJZOXXJZVWJDF-JTQLQIEISA-N 1 2 264.163 1.368 20 30 CDEDLO C=C(Br)C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000172100406 738112894 /nfs/dbraw/zinc/11/28/94/738112894.db2.gz QOJZOXXJZVWJDF-JTQLQIEISA-N 1 2 264.163 1.368 20 30 CDEDLO C#C[C@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)C(C)C ZINC000838596761 738114499 /nfs/dbraw/zinc/11/44/99/738114499.db2.gz VYCPJTDTSQATBX-KBPBESRZSA-N 1 2 274.368 1.887 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc3cccnc3s2)C1 ZINC001015938422 738155027 /nfs/dbraw/zinc/15/50/27/738155027.db2.gz IJVSTBDOWVYFGU-GFCCVEGCSA-N 1 2 285.372 1.734 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc3cccnc3s2)C1 ZINC001015938422 738155031 /nfs/dbraw/zinc/15/50/31/738155031.db2.gz IJVSTBDOWVYFGU-GFCCVEGCSA-N 1 2 285.372 1.734 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2csc3nccn23)C1 ZINC001044302670 738186618 /nfs/dbraw/zinc/18/66/18/738186618.db2.gz NVGFGRWBHMYFHU-UHFFFAOYSA-N 1 2 290.392 1.267 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2coc(=O)c3ccccc23)C1 ZINC001030778821 738258074 /nfs/dbraw/zinc/25/80/74/738258074.db2.gz QGOWNIGTTWCRAQ-UHFFFAOYSA-N 1 2 296.326 1.230 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cncc3nc[nH]c32)CC1 ZINC001052399858 738396985 /nfs/dbraw/zinc/39/69/85/738396985.db2.gz JUCURANNGVNXML-LBPRGKRZSA-N 1 2 297.362 1.175 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C=C)cc2)C1 ZINC001035528741 738330704 /nfs/dbraw/zinc/33/07/04/738330704.db2.gz VNUCXSLEUWRFPZ-INIZCTEOSA-N 1 2 286.375 1.946 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C=C)cc2)C1 ZINC001035528741 738330705 /nfs/dbraw/zinc/33/07/05/738330705.db2.gz VNUCXSLEUWRFPZ-INIZCTEOSA-N 1 2 286.375 1.946 20 30 CDEDLO C=CC[N@H+](CN1C[C@@](C)(COC)CC1=O)[C@@H](C)COC ZINC000853534072 738356194 /nfs/dbraw/zinc/35/61/94/738356194.db2.gz GJKXZMLGBXTELD-ZFWWWQNUSA-N 1 2 284.400 1.352 20 30 CDEDLO C=CC[N@@H+](CN1C[C@@](C)(COC)CC1=O)[C@@H](C)COC ZINC000853534072 738356200 /nfs/dbraw/zinc/35/62/00/738356200.db2.gz GJKXZMLGBXTELD-ZFWWWQNUSA-N 1 2 284.400 1.352 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cncc3nc[nH]c32)CC1 ZINC001052399858 738396990 /nfs/dbraw/zinc/39/69/90/738396990.db2.gz JUCURANNGVNXML-LBPRGKRZSA-N 1 2 297.362 1.175 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(-c2ccccc2)n1 ZINC001039005269 738381761 /nfs/dbraw/zinc/38/17/61/738381761.db2.gz JIMBBUGPQJTDDO-CQSZACIVSA-N 1 2 297.362 1.257 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(-c2ccccc2)n1 ZINC001039005269 738381766 /nfs/dbraw/zinc/38/17/66/738381766.db2.gz JIMBBUGPQJTDDO-CQSZACIVSA-N 1 2 297.362 1.257 20 30 CDEDLO C=CCCCCCN1CC[NH+](CC[S@](C)=O)CC1 ZINC000785757598 738556960 /nfs/dbraw/zinc/55/69/60/738556960.db2.gz XBDNUAJEPPVLMU-SFHVURJKSA-N 1 2 272.458 1.729 20 30 CDEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)C(F)F ZINC001006503320 738566482 /nfs/dbraw/zinc/56/64/82/738566482.db2.gz MNXYMPRUSSLUJY-CQSZACIVSA-N 1 2 292.329 1.884 20 30 CDEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)C(F)F ZINC001006503320 738566483 /nfs/dbraw/zinc/56/64/83/738566483.db2.gz MNXYMPRUSSLUJY-CQSZACIVSA-N 1 2 292.329 1.884 20 30 CDEDLO CCc1ccc(C#CC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000816202816 738616628 /nfs/dbraw/zinc/61/66/28/738616628.db2.gz JMWRWWZNXVZGIN-INIZCTEOSA-N 1 2 293.370 1.928 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(CC(C)C)CC1 ZINC000884173835 738688481 /nfs/dbraw/zinc/68/84/81/738688481.db2.gz FAXKLXWPQUFGDH-AWEZNQCLSA-N 1 2 296.411 1.718 20 30 CDEDLO CC(N=Nc1nc[nH]n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000807997632 738710718 /nfs/dbraw/zinc/71/07/18/738710718.db2.gz UUGCGAKSGSHKTQ-UHFFFAOYSA-N 1 2 267.296 1.827 20 30 CDEDLO CC[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cccc(C#N)c1O ZINC000925103236 738712105 /nfs/dbraw/zinc/71/21/05/738712105.db2.gz HRIBXMMBQOWBRQ-JSGCOSHPSA-N 1 2 287.363 1.925 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2nccn2CC)C1 ZINC001033049842 738729653 /nfs/dbraw/zinc/72/96/53/738729653.db2.gz VXIZKPQEYAVINL-GFCCVEGCSA-N 1 2 296.802 1.802 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2nccn2CC)C1 ZINC001033049842 738729657 /nfs/dbraw/zinc/72/96/57/738729657.db2.gz VXIZKPQEYAVINL-GFCCVEGCSA-N 1 2 296.802 1.802 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@H](NC(C)=O)CC[C@H]1C ZINC001071282748 738767403 /nfs/dbraw/zinc/76/74/03/738767403.db2.gz OAQNIXCKOCDKIZ-MWLCHTKSSA-N 1 2 275.190 1.884 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@H](NC(C)=O)CC[C@H]1C ZINC001071282748 738767412 /nfs/dbraw/zinc/76/74/12/738767412.db2.gz OAQNIXCKOCDKIZ-MWLCHTKSSA-N 1 2 275.190 1.884 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001015580083 738789632 /nfs/dbraw/zinc/78/96/32/738789632.db2.gz GITBEUOYRYXUCQ-MROQNXINSA-N 1 2 268.788 1.976 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001015580083 738789643 /nfs/dbraw/zinc/78/96/43/738789643.db2.gz GITBEUOYRYXUCQ-MROQNXINSA-N 1 2 268.788 1.976 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc3[nH]nnc3c2)CC[C@@H]1C ZINC001072067831 738815423 /nfs/dbraw/zinc/81/54/23/738815423.db2.gz WJMWDXGNLFDGJR-AAEUAGOBSA-N 1 2 299.378 1.727 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc3[nH]nnc3c2)CC[C@@H]1C ZINC001072067831 738815424 /nfs/dbraw/zinc/81/54/24/738815424.db2.gz WJMWDXGNLFDGJR-AAEUAGOBSA-N 1 2 299.378 1.727 20 30 CDEDLO CC(=[NH+]OC[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1N ZINC000814911768 738816902 /nfs/dbraw/zinc/81/69/02/738816902.db2.gz CKXSCLGEVGDJPG-JTQLQIEISA-N 1 2 279.296 1.954 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2CCC(C)(C)CO2)nn1 ZINC000881389612 738822875 /nfs/dbraw/zinc/82/28/75/738822875.db2.gz JQRFZUXRJPKVAT-AWEZNQCLSA-N 1 2 276.384 1.596 20 30 CDEDLO CCOC(=O)[C@H](C)[N@H+](CCO[C@@H](C)C#N)C1CC1 ZINC000801950090 738825959 /nfs/dbraw/zinc/82/59/59/738825959.db2.gz VASIKXKXAZOVHA-QWRGUYRKSA-N 1 2 254.330 1.331 20 30 CDEDLO CCOC(=O)[C@H](C)[N@@H+](CCO[C@@H](C)C#N)C1CC1 ZINC000801950090 738825960 /nfs/dbraw/zinc/82/59/60/738825960.db2.gz VASIKXKXAZOVHA-QWRGUYRKSA-N 1 2 254.330 1.331 20 30 CDEDLO C#C[C@H]([NH2+]Cc1cn(-c2ccccc2)nn1)[C@H]1CCCO1 ZINC000775347497 738840042 /nfs/dbraw/zinc/84/00/42/738840042.db2.gz GZUSCXPZMHIBNF-JKSUJKDBSA-N 1 2 282.347 1.538 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C)c(C)s1 ZINC001032790361 738847462 /nfs/dbraw/zinc/84/74/62/738847462.db2.gz HLIUZRRCHNHWPK-RYUDHWBXSA-N 1 2 277.393 1.845 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C)c(C)s1 ZINC001032790361 738847465 /nfs/dbraw/zinc/84/74/65/738847465.db2.gz HLIUZRRCHNHWPK-RYUDHWBXSA-N 1 2 277.393 1.845 20 30 CDEDLO Cc1noc([C@@H](C)[N@H+](C)C[C@@H](O)CC2(C#N)CCC2)n1 ZINC000886270637 738847811 /nfs/dbraw/zinc/84/78/11/738847811.db2.gz IYWTXAWNXATZQK-PWSUYJOCSA-N 1 2 278.356 1.816 20 30 CDEDLO Cc1noc([C@@H](C)[N@@H+](C)C[C@@H](O)CC2(C#N)CCC2)n1 ZINC000886270637 738847812 /nfs/dbraw/zinc/84/78/12/738847812.db2.gz IYWTXAWNXATZQK-PWSUYJOCSA-N 1 2 278.356 1.816 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2cnc(CC)s2)C1 ZINC001031466494 738849628 /nfs/dbraw/zinc/84/96/28/738849628.db2.gz ZDAWPPFDBFPDBD-UHFFFAOYSA-N 1 2 265.382 1.696 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@]2(NC(=O)c3[nH]ncc3F)CCC[C@@H]12 ZINC000992168386 738854182 /nfs/dbraw/zinc/85/41/82/738854182.db2.gz GHDHXZJKUSAUTB-DOMZBBRYSA-N 1 2 290.342 1.299 20 30 CDEDLO CC#CC[N@H+]1CC[C@@]2(NC(=O)c3[nH]ncc3F)CCC[C@@H]12 ZINC000992168386 738854184 /nfs/dbraw/zinc/85/41/84/738854184.db2.gz GHDHXZJKUSAUTB-DOMZBBRYSA-N 1 2 290.342 1.299 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3c2COCC3)C1 ZINC001030428393 738875818 /nfs/dbraw/zinc/87/58/18/738875818.db2.gz YBYAAAURHHCTTR-UHFFFAOYSA-N 1 2 284.359 1.197 20 30 CDEDLO CC(C)[C@H](C)NC(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000071939153 738885926 /nfs/dbraw/zinc/88/59/26/738885926.db2.gz KNBDQEPDKBBZIA-LBPRGKRZSA-N 1 2 277.368 1.679 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nccs1)O2 ZINC001053683390 738885994 /nfs/dbraw/zinc/88/59/94/738885994.db2.gz DEQDZKXGRKJSGX-LLVKDONJSA-N 1 2 293.392 1.292 20 30 CDEDLO N#CC[C@@H](O)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000809571425 738887350 /nfs/dbraw/zinc/88/73/50/738887350.db2.gz RCWXCLFNRKSWOW-OAHLLOKOSA-N 1 2 293.798 1.732 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccccc1)CCO2 ZINC001053134556 739070162 /nfs/dbraw/zinc/07/01/62/739070162.db2.gz OMZYGPBASHEOPH-UHFFFAOYSA-N 1 2 286.375 1.790 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2c(C)nn(C)c2C)C1 ZINC001043495610 739193162 /nfs/dbraw/zinc/19/31/62/739193162.db2.gz VJFDIYSSLKQCGJ-UHFFFAOYSA-N 1 2 290.411 1.298 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@@H]3CC[C@@H](C)O3)C2)cc1 ZINC001030776833 739145836 /nfs/dbraw/zinc/14/58/36/739145836.db2.gz CLQUWGBOIIHBAA-DYVFJYSZSA-N 1 2 298.386 1.649 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2csc(C3CC3)n2)C1 ZINC001031055764 739146713 /nfs/dbraw/zinc/14/67/13/739146713.db2.gz CGPBLJVYQGOFQA-UHFFFAOYSA-N 1 2 289.404 1.387 20 30 CDEDLO C#CCOc1ccccc1C[NH2+][C@H](C)c1cnn(C)n1 ZINC000925417140 738923654 /nfs/dbraw/zinc/92/36/54/738923654.db2.gz MBVVHZHEBLZRFS-GFCCVEGCSA-N 1 2 270.336 1.678 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1conc1CC ZINC001038671947 736347177 /nfs/dbraw/zinc/34/71/77/736347177.db2.gz XSGLDCDBFPJSOV-NSHDSACASA-N 1 2 261.325 1.064 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC(F)(F)C1 ZINC001038693347 736346999 /nfs/dbraw/zinc/34/69/99/736346999.db2.gz CNXORLQGPYOJFM-NWDGAFQWSA-N 1 2 270.323 1.636 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC(F)(F)C1 ZINC001038693347 736347004 /nfs/dbraw/zinc/34/70/04/736347004.db2.gz CNXORLQGPYOJFM-NWDGAFQWSA-N 1 2 270.323 1.636 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccs1 ZINC001017306320 736442521 /nfs/dbraw/zinc/44/25/21/736442521.db2.gz OJSSXEHSCCMTJO-OKILXGFUSA-N 1 2 288.416 1.989 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccs1 ZINC001017306320 736442528 /nfs/dbraw/zinc/44/25/28/736442528.db2.gz OJSSXEHSCCMTJO-OKILXGFUSA-N 1 2 288.416 1.989 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccnc(F)c2)C1 ZINC001035308313 736553733 /nfs/dbraw/zinc/55/37/33/736553733.db2.gz WOGWAEQRWLHYLZ-CYBMUJFWSA-N 1 2 293.342 1.227 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccnc(F)c2)C1 ZINC001035308313 736553736 /nfs/dbraw/zinc/55/37/36/736553736.db2.gz WOGWAEQRWLHYLZ-CYBMUJFWSA-N 1 2 293.342 1.227 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC(=O)[C@H]2C)C1 ZINC000923561870 736568151 /nfs/dbraw/zinc/56/81/51/736568151.db2.gz OJOQUHRUHSRRDG-IHRRRGAJSA-N 1 2 276.380 1.206 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC(=O)[C@H]2C)C1 ZINC000923561870 736568156 /nfs/dbraw/zinc/56/81/56/736568156.db2.gz OJOQUHRUHSRRDG-IHRRRGAJSA-N 1 2 276.380 1.206 20 30 CDEDLO COc1ccc(C=NNc2[nH+]ccn2C)cc1C#N ZINC000790299662 736595425 /nfs/dbraw/zinc/59/54/25/736595425.db2.gz HVRDRJYMOUWFRH-UHFFFAOYSA-N 1 2 255.281 1.746 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@H]3CC[C@@H](C)O3)C2)cc1 ZINC001030776832 736685463 /nfs/dbraw/zinc/68/54/63/736685463.db2.gz CLQUWGBOIIHBAA-CXAGYDPISA-N 1 2 298.386 1.649 20 30 CDEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C(CC)CC)C2)CC1 ZINC001051985221 736855043 /nfs/dbraw/zinc/85/50/43/736855043.db2.gz VFWVCDKVMFTJGZ-INIZCTEOSA-N 1 2 291.439 1.274 20 30 CDEDLO N#Cc1c(NC(=O)C[NH+]2CCCC2)n[nH]c1C1CC1 ZINC000825221918 736897926 /nfs/dbraw/zinc/89/79/26/736897926.db2.gz KFLOLZQDPHPZNX-UHFFFAOYSA-N 1 2 259.313 1.193 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc(C)c(C)nc1C ZINC001038491799 736927251 /nfs/dbraw/zinc/92/72/51/736927251.db2.gz IIQGSHLAHQVQCY-CQSZACIVSA-N 1 2 286.379 1.229 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1nc(C)c(C)nc1C ZINC001038491799 736927254 /nfs/dbraw/zinc/92/72/54/736927254.db2.gz IIQGSHLAHQVQCY-CQSZACIVSA-N 1 2 286.379 1.229 20 30 CDEDLO C=CCC(F)(F)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000815739261 736961506 /nfs/dbraw/zinc/96/15/06/736961506.db2.gz SLQARSOZWNWMLI-UHFFFAOYSA-N 1 2 290.354 1.767 20 30 CDEDLO N#CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001034252298 736962686 /nfs/dbraw/zinc/96/26/86/736962686.db2.gz MNMQDXLZDISSHI-JHJVBQTASA-N 1 2 287.367 1.007 20 30 CDEDLO N#CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001034252298 736962691 /nfs/dbraw/zinc/96/26/91/736962691.db2.gz MNMQDXLZDISSHI-JHJVBQTASA-N 1 2 287.367 1.007 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCCC1(C)C ZINC000884142328 736979604 /nfs/dbraw/zinc/97/96/04/736979604.db2.gz XDBOZVIRPRNQEA-NWDGAFQWSA-N 1 2 282.384 1.518 20 30 CDEDLO CC[C@@H](C#N)C(=O)N1CC[NH2+][C@H](c2cccc(OC)c2)C1 ZINC000870155060 737020926 /nfs/dbraw/zinc/02/09/26/737020926.db2.gz SDYFPWABYWUDSQ-WFASDCNBSA-N 1 2 287.363 1.718 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cncc(C)c1 ZINC001017765640 737109244 /nfs/dbraw/zinc/10/92/44/737109244.db2.gz KFHRMNJKTOADCB-CALCHBBNSA-N 1 2 297.402 1.631 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cncc(C)c1 ZINC001017765640 737109246 /nfs/dbraw/zinc/10/92/46/737109246.db2.gz KFHRMNJKTOADCB-CALCHBBNSA-N 1 2 297.402 1.631 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2snnc2C)C1 ZINC001032897223 737227426 /nfs/dbraw/zinc/22/74/26/737227426.db2.gz NKHDYYQQPSBMHF-LLVKDONJSA-N 1 2 278.381 1.016 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2snnc2C)C1 ZINC001032897223 737227431 /nfs/dbraw/zinc/22/74/31/737227431.db2.gz NKHDYYQQPSBMHF-LLVKDONJSA-N 1 2 278.381 1.016 20 30 CDEDLO C[C@@H](C#N)OCC[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000801926030 737227945 /nfs/dbraw/zinc/22/79/45/737227945.db2.gz UJXJSHXCHNPCNP-ZFWWWQNUSA-N 1 2 260.337 1.989 20 30 CDEDLO C[C@@H](C#N)OCC[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000801926030 737227949 /nfs/dbraw/zinc/22/79/49/737227949.db2.gz UJXJSHXCHNPCNP-ZFWWWQNUSA-N 1 2 260.337 1.989 20 30 CDEDLO Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1cc(C#N)ccc1O)C2 ZINC000810467561 737286594 /nfs/dbraw/zinc/28/65/94/737286594.db2.gz VAMADSLKKYLFFF-GFCCVEGCSA-N 1 2 296.330 1.970 20 30 CDEDLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H](C)c2cccc(C#N)c2)C1 ZINC000805479689 737302482 /nfs/dbraw/zinc/30/24/82/737302482.db2.gz SZOPKRFQDHPLGY-WFASDCNBSA-N 1 2 288.347 1.883 20 30 CDEDLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C)c2cccc(C#N)c2)C1 ZINC000805479689 737302486 /nfs/dbraw/zinc/30/24/86/737302486.db2.gz SZOPKRFQDHPLGY-WFASDCNBSA-N 1 2 288.347 1.883 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@@H](CC)O2)C1 ZINC001042827414 737305898 /nfs/dbraw/zinc/30/58/98/737305898.db2.gz ISQMWCOBZOTYTH-KGLIPLIRSA-N 1 2 266.385 1.663 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2c[nH]c3cccnc23)C1 ZINC001044190207 737315508 /nfs/dbraw/zinc/31/55/08/737315508.db2.gz YZAYDTVTZFQATB-UHFFFAOYSA-N 1 2 270.336 1.505 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cn[nH]c2)C1 ZINC001033758954 737365869 /nfs/dbraw/zinc/36/58/69/737365869.db2.gz KFWVAMZUOTZWAH-LBPRGKRZSA-N 1 2 282.775 1.699 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cn[nH]c2)C1 ZINC001033758954 737365873 /nfs/dbraw/zinc/36/58/73/737365873.db2.gz KFWVAMZUOTZWAH-LBPRGKRZSA-N 1 2 282.775 1.699 20 30 CDEDLO C=CCCn1cc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)nn1 ZINC000820896815 738959003 /nfs/dbraw/zinc/95/90/03/738959003.db2.gz YQPLVKUNGRXBTR-LLVKDONJSA-N 1 2 282.319 1.055 20 30 CDEDLO C=CCCn1cc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)nn1 ZINC000820896815 738959009 /nfs/dbraw/zinc/95/90/09/738959009.db2.gz YQPLVKUNGRXBTR-LLVKDONJSA-N 1 2 282.319 1.055 20 30 CDEDLO C#CCCS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000279486839 737448318 /nfs/dbraw/zinc/44/83/18/737448318.db2.gz OWWHLPDUQQENGG-OAHLLOKOSA-N 1 2 292.404 1.328 20 30 CDEDLO C#CCCS(=O)(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000279486839 737448329 /nfs/dbraw/zinc/44/83/29/737448329.db2.gz OWWHLPDUQQENGG-OAHLLOKOSA-N 1 2 292.404 1.328 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCOC[C@@H](C)C2)nn1 ZINC000846835172 737449880 /nfs/dbraw/zinc/44/98/80/737449880.db2.gz VDXRNCHDDKCRPI-LBPRGKRZSA-N 1 2 250.346 1.323 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCOC[C@@H](C)C2)nn1 ZINC000846835172 737449881 /nfs/dbraw/zinc/44/98/81/737449881.db2.gz VDXRNCHDDKCRPI-LBPRGKRZSA-N 1 2 250.346 1.323 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CCC(C)(F)F)C1 ZINC000885508557 737539899 /nfs/dbraw/zinc/53/98/99/737539899.db2.gz IFDXUJWNWXSORX-NSHDSACASA-N 1 2 294.367 1.049 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CCC(C)(F)F)C1 ZINC000885508557 737539917 /nfs/dbraw/zinc/53/99/17/737539917.db2.gz IFDXUJWNWXSORX-NSHDSACASA-N 1 2 294.367 1.049 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnn1C1CCCC1 ZINC001038314357 737614652 /nfs/dbraw/zinc/61/46/52/737614652.db2.gz HAWPJSFOWCXYBS-AWEZNQCLSA-N 1 2 286.379 1.436 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnn1C1CCCC1 ZINC001038314357 737614654 /nfs/dbraw/zinc/61/46/54/737614654.db2.gz HAWPJSFOWCXYBS-AWEZNQCLSA-N 1 2 286.379 1.436 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc2c(c1)OCCO2 ZINC000819394423 737627254 /nfs/dbraw/zinc/62/72/54/737627254.db2.gz VZMFNCFYINXRNR-ZDUSSCGKSA-N 1 2 291.351 1.076 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc2c(c1)OCCO2 ZINC000819394423 737627257 /nfs/dbraw/zinc/62/72/57/737627257.db2.gz VZMFNCFYINXRNR-ZDUSSCGKSA-N 1 2 291.351 1.076 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc2c(cc1C)OCO2 ZINC000781379369 737643161 /nfs/dbraw/zinc/64/31/61/737643161.db2.gz SEHHXXMHQBYTJK-ZDUSSCGKSA-N 1 2 286.331 1.760 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc2c(cc1C)OCO2 ZINC000781379369 737643166 /nfs/dbraw/zinc/64/31/66/737643166.db2.gz SEHHXXMHQBYTJK-ZDUSSCGKSA-N 1 2 286.331 1.760 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001031334582 737658284 /nfs/dbraw/zinc/65/82/84/737658284.db2.gz BVFLRHRCKZDSJD-UHFFFAOYSA-N 1 2 264.756 1.869 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(CCC)n[nH]2)C1 ZINC001030770190 737665970 /nfs/dbraw/zinc/66/59/70/737665970.db2.gz MPBQRXPVEDBNOO-UHFFFAOYSA-N 1 2 262.357 1.352 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1cc(C)cc(C)c1 ZINC001032779263 737786939 /nfs/dbraw/zinc/78/69/39/737786939.db2.gz GFXGYPCDLKXMBI-HOTGVXAUSA-N 1 2 298.386 1.601 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1cc(C)cc(C)c1 ZINC001032779263 737786948 /nfs/dbraw/zinc/78/69/48/737786948.db2.gz GFXGYPCDLKXMBI-HOTGVXAUSA-N 1 2 298.386 1.601 20 30 CDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cccnc2)CC1 ZINC001004332759 737863296 /nfs/dbraw/zinc/86/32/96/737863296.db2.gz JBDBUORUOWQFRL-INIZCTEOSA-N 1 2 298.390 1.922 20 30 CDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cccnc2)CC1 ZINC001004332759 737863299 /nfs/dbraw/zinc/86/32/99/737863299.db2.gz JBDBUORUOWQFRL-INIZCTEOSA-N 1 2 298.390 1.922 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc[nH]c1C)CCO2 ZINC001053210645 737896658 /nfs/dbraw/zinc/89/66/58/737896658.db2.gz KXLXOYAPCTVUMT-UHFFFAOYSA-N 1 2 289.379 1.426 20 30 CDEDLO C#CCCCCNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000839506397 737907866 /nfs/dbraw/zinc/90/78/66/737907866.db2.gz ZMWLOYHDCXTHHC-UHFFFAOYSA-N 1 2 287.363 1.865 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccc(NC(C)=O)c2)C1 ZINC001044290299 737953651 /nfs/dbraw/zinc/95/36/51/737953651.db2.gz LCDHYPXBTMOXST-UHFFFAOYSA-N 1 2 299.374 1.425 20 30 CDEDLO CC[C@H](OC)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004366111 737956111 /nfs/dbraw/zinc/95/61/11/737956111.db2.gz ANJXDKCJMUBVOI-GJZGRUSLSA-N 1 2 293.411 1.638 20 30 CDEDLO CC[C@H](OC)C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004366111 737956114 /nfs/dbraw/zinc/95/61/14/737956114.db2.gz ANJXDKCJMUBVOI-GJZGRUSLSA-N 1 2 293.411 1.638 20 30 CDEDLO Cc1cc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)no1 ZINC001027336101 737985662 /nfs/dbraw/zinc/98/56/62/737985662.db2.gz NKUISYDCWSSDHA-BXUZGUMPSA-N 1 2 290.367 1.566 20 30 CDEDLO Cc1cc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)no1 ZINC001027336101 737985664 /nfs/dbraw/zinc/98/56/64/737985664.db2.gz NKUISYDCWSSDHA-BXUZGUMPSA-N 1 2 290.367 1.566 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2C(C)(C)C2(C)C)C1 ZINC001035330918 738015688 /nfs/dbraw/zinc/01/56/88/738015688.db2.gz SJEXWDUCUTYDRB-LBPRGKRZSA-N 1 2 280.412 1.672 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C2C(C)(C)C2(C)C)C1 ZINC001035330918 738015694 /nfs/dbraw/zinc/01/56/94/738015694.db2.gz SJEXWDUCUTYDRB-LBPRGKRZSA-N 1 2 280.412 1.672 20 30 CDEDLO Cc1nc(NC[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)cc[nH+]1 ZINC001065848917 738015748 /nfs/dbraw/zinc/01/57/48/738015748.db2.gz XVAPXDCYRYRPJO-IUODEOHRSA-N 1 2 298.390 1.705 20 30 CDEDLO Cc1cnc(C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)o1 ZINC001075776570 738082311 /nfs/dbraw/zinc/08/23/11/738082311.db2.gz VORZMUOUDFAFOP-LSDHHAIUSA-N 1 2 299.374 1.429 20 30 CDEDLO Cc1cnc(C[N@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)o1 ZINC001075776570 738082315 /nfs/dbraw/zinc/08/23/15/738082315.db2.gz VORZMUOUDFAFOP-LSDHHAIUSA-N 1 2 299.374 1.429 20 30 CDEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](CCF)[C@@H]2C)nn1 ZINC000993948153 738156345 /nfs/dbraw/zinc/15/63/45/738156345.db2.gz HVLIHMCMVVNOII-VXGBXAGGSA-N 1 2 295.362 1.016 20 30 CDEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CCF)[C@@H]2C)nn1 ZINC000993948153 738156350 /nfs/dbraw/zinc/15/63/50/738156350.db2.gz HVLIHMCMVVNOII-VXGBXAGGSA-N 1 2 295.362 1.016 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnccn1 ZINC001027731100 738207152 /nfs/dbraw/zinc/20/71/52/738207152.db2.gz GMRIMZXIOGQJIO-NSHDSACASA-N 1 2 280.759 1.423 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnccn1 ZINC001027731100 738207179 /nfs/dbraw/zinc/20/71/79/738207179.db2.gz GMRIMZXIOGQJIO-NSHDSACASA-N 1 2 280.759 1.423 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(CC#N)n1)[NH+]1CCSCC1 ZINC000882473919 738290853 /nfs/dbraw/zinc/29/08/53/738290853.db2.gz VLGWYHIJBDSHIO-NSHDSACASA-N 1 2 290.392 1.523 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCOC1 ZINC001017461843 738294305 /nfs/dbraw/zinc/29/43/05/738294305.db2.gz LOORGCIHFQCRPA-KFWWJZLASA-N 1 2 276.380 1.112 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCOC1 ZINC001017461843 738294309 /nfs/dbraw/zinc/29/43/09/738294309.db2.gz LOORGCIHFQCRPA-KFWWJZLASA-N 1 2 276.380 1.112 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1CCC(C)(C)CC1 ZINC000884326487 738997276 /nfs/dbraw/zinc/99/72/76/738997276.db2.gz UKSKLNUJUOEORL-ZDUSSCGKSA-N 1 2 296.411 1.766 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnn(C)c1C ZINC001027760002 739023168 /nfs/dbraw/zinc/02/31/68/739023168.db2.gz PJNSJSVQGGVHGZ-LBPRGKRZSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(C)c1C ZINC001027760002 739023175 /nfs/dbraw/zinc/02/31/75/739023175.db2.gz PJNSJSVQGGVHGZ-LBPRGKRZSA-N 1 2 296.802 1.675 20 30 CDEDLO C[Si](C)(C)C#CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000912329266 739060756 /nfs/dbraw/zinc/06/07/56/739060756.db2.gz FLVUPQFISFAHBJ-ZDUSSCGKSA-N 1 2 289.455 1.833 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001035539055 739082907 /nfs/dbraw/zinc/08/29/07/739082907.db2.gz WWPPVEAYEPXWKX-QLFBSQMISA-N 1 2 278.396 1.426 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001035539055 739082910 /nfs/dbraw/zinc/08/29/10/739082910.db2.gz WWPPVEAYEPXWKX-QLFBSQMISA-N 1 2 278.396 1.426 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]Nc1ccc2n[nH]cc2c1 ZINC000779817095 739113616 /nfs/dbraw/zinc/11/36/16/739113616.db2.gz BTHJZOVECFCULI-UHFFFAOYSA-N 1 2 283.295 1.390 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(F)c1 ZINC001017466212 1166937705 /nfs/dbraw/zinc/93/77/05/1166937705.db2.gz AKRQFGXKCFKFMK-OKILXGFUSA-N 1 2 273.311 1.143 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(F)c1 ZINC001017466212 1166937710 /nfs/dbraw/zinc/93/77/10/1166937710.db2.gz AKRQFGXKCFKFMK-OKILXGFUSA-N 1 2 273.311 1.143 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCCC)[C@@H](O)C1 ZINC001099676299 1166998296 /nfs/dbraw/zinc/99/82/96/1166998296.db2.gz YCRZYTFIUBVNKZ-OLZOCXBDSA-N 1 2 288.819 1.871 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCCC)[C@@H](O)C1 ZINC001099676299 1166998302 /nfs/dbraw/zinc/99/83/02/1166998302.db2.gz YCRZYTFIUBVNKZ-OLZOCXBDSA-N 1 2 288.819 1.871 20 30 CDEDLO Cc1nc(N[C@@H]2CCN(C(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001095032542 912220473 /nfs/dbraw/zinc/22/04/73/912220473.db2.gz DLOCVAJDKGLPJS-CYBMUJFWSA-N 1 2 272.352 1.457 20 30 CDEDLO C[C@@]1(O)CC[N@H+](Cc2cc(C#N)ccc2O)C[C@@H]1F ZINC001232673845 912382178 /nfs/dbraw/zinc/38/21/78/912382178.db2.gz OLQBBQMLMNUTMQ-UONOGXRCSA-N 1 2 264.300 1.559 20 30 CDEDLO C[C@@]1(O)CC[N@@H+](Cc2cc(C#N)ccc2O)C[C@@H]1F ZINC001232673845 912382192 /nfs/dbraw/zinc/38/21/92/912382192.db2.gz OLQBBQMLMNUTMQ-UONOGXRCSA-N 1 2 264.300 1.559 20 30 CDEDLO Cn1cc(C[N@@H+]2CC[C@@](N)(C(F)(F)F)C2)cc1C#N ZINC001206220686 912980343 /nfs/dbraw/zinc/98/03/43/912980343.db2.gz CAOUOFFGHUOLRX-NSHDSACASA-N 1 2 272.274 1.362 20 30 CDEDLO Cn1cc(C[N@H+]2CC[C@@](N)(C(F)(F)F)C2)cc1C#N ZINC001206220686 912980350 /nfs/dbraw/zinc/98/03/50/912980350.db2.gz CAOUOFFGHUOLRX-NSHDSACASA-N 1 2 272.274 1.362 20 30 CDEDLO C#Cc1cc(Nc2cc(C(F)(F)F)nn2C)cc[nH+]1 ZINC001174324064 913090047 /nfs/dbraw/zinc/09/00/47/913090047.db2.gz VWUYCJAZJFTXGB-UHFFFAOYSA-N 1 2 266.226 1.981 20 30 CDEDLO N#Cc1cncc(Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC001174489959 913164676 /nfs/dbraw/zinc/16/46/76/913164676.db2.gz RWGAQJSNNUTSMK-UHFFFAOYSA-N 1 2 298.350 1.226 20 30 CDEDLO C#Cc1cc(Nc2cccc(S(=O)(=O)NC)c2)cc[nH+]1 ZINC001174724761 913305847 /nfs/dbraw/zinc/30/58/47/913305847.db2.gz NCKGICKEXSQWEA-UHFFFAOYSA-N 1 2 287.344 1.137 20 30 CDEDLO C#Cc1cc(Nc2cnc(OC)nc2OC)cc[nH+]1 ZINC001174868137 913377118 /nfs/dbraw/zinc/37/71/18/913377118.db2.gz NGCHUTCFGXTFLA-UHFFFAOYSA-N 1 2 256.265 1.036 20 30 CDEDLO C[C@H](CCNc1ccc(C#N)nc1)NC(=O)Cn1cc[nH+]c1 ZINC001106362234 913882620 /nfs/dbraw/zinc/88/26/20/913882620.db2.gz LDNAHRVMNDDZIR-GFCCVEGCSA-N 1 2 298.350 1.157 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1-c1cc(C#N)ccc1C ZINC001210499043 895280630 /nfs/dbraw/zinc/28/06/30/895280630.db2.gz YBAPYUCUHJMBNT-UHFFFAOYSA-N 1 2 270.292 1.811 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3c(c2)CCN3C)C1 ZINC001031209007 914025499 /nfs/dbraw/zinc/02/54/99/914025499.db2.gz QUIPWBIXOXRZSI-UHFFFAOYSA-N 1 2 283.375 1.116 20 30 CDEDLO Cc1nnc(NCc2cc[nH+]c(N)c2)c(C#N)c1C ZINC001167615071 897047065 /nfs/dbraw/zinc/04/70/65/897047065.db2.gz XUXVFVQMDWQCHR-UHFFFAOYSA-N 1 2 254.297 1.554 20 30 CDEDLO N#Cc1nc(NCc2cc[nH+]c(N)c2)ccc1[N+](=O)[O-] ZINC001167615627 897051459 /nfs/dbraw/zinc/05/14/59/897051459.db2.gz VFZAVXZYWXRHGI-UHFFFAOYSA-N 1 2 270.252 1.451 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC001006883875 897969203 /nfs/dbraw/zinc/96/92/03/897969203.db2.gz UJKVYAZHSXKLSF-NWDGAFQWSA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC001006883875 897969210 /nfs/dbraw/zinc/96/92/10/897969210.db2.gz UJKVYAZHSXKLSF-NWDGAFQWSA-N 1 2 272.776 1.356 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCC(=C)C)C[C@H]21 ZINC001177023596 914438586 /nfs/dbraw/zinc/43/85/86/914438586.db2.gz AENNHIXNZSDJBY-CVEARBPZSA-N 1 2 290.407 1.668 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCC(=C)C)C[C@H]21 ZINC001177023596 914438588 /nfs/dbraw/zinc/43/85/88/914438588.db2.gz AENNHIXNZSDJBY-CVEARBPZSA-N 1 2 290.407 1.668 20 30 CDEDLO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cccc3nn[nH]c32)C1 ZINC001027423455 900485966 /nfs/dbraw/zinc/48/59/66/900485966.db2.gz FBGOOJHUPHWADB-GFCCVEGCSA-N 1 2 297.362 1.128 20 30 CDEDLO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc3nn[nH]c32)C1 ZINC001027423455 900485972 /nfs/dbraw/zinc/48/59/72/900485972.db2.gz FBGOOJHUPHWADB-GFCCVEGCSA-N 1 2 297.362 1.128 20 30 CDEDLO CC1(C)C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN(CC#N)C1 ZINC001089529567 914783710 /nfs/dbraw/zinc/78/37/10/914783710.db2.gz USFOQBLCDAEYTI-LBPRGKRZSA-N 1 2 289.383 1.083 20 30 CDEDLO C=C[C@@H]1C[C@]1([NH2+][C@H]1CCO[C@@H](C)C1)C(=O)OCC ZINC001168088207 906889856 /nfs/dbraw/zinc/88/98/56/906889856.db2.gz PFDHVDNYQQGPCI-KZVDOYCCSA-N 1 2 253.342 1.651 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+][C@H](C)c1nc(COC)no1 ZINC001128409220 921297265 /nfs/dbraw/zinc/29/72/65/921297265.db2.gz YHRVAQHMQRZUBU-LLVKDONJSA-N 1 2 296.371 1.339 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3CC)CC2)C1 ZINC001093576377 909978087 /nfs/dbraw/zinc/97/80/87/909978087.db2.gz ZJLVLOSTCJLZAJ-CZUORRHYSA-N 1 2 292.423 1.910 20 30 CDEDLO C#Cc1ccc(C(=O)NCCNc2cc[nH+]c(C)n2)cn1 ZINC001093764637 910133167 /nfs/dbraw/zinc/13/31/67/910133167.db2.gz OSHFLGMUNOFKKS-UHFFFAOYSA-N 1 2 281.319 1.003 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cn(CCC)nn1 ZINC001483405446 911068015 /nfs/dbraw/zinc/06/80/15/911068015.db2.gz YIMGJTVLNFEDIQ-NSHDSACASA-N 1 2 299.806 1.491 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cn(CCC)nn1 ZINC001483405446 911068026 /nfs/dbraw/zinc/06/80/26/911068026.db2.gz YIMGJTVLNFEDIQ-NSHDSACASA-N 1 2 299.806 1.491 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccncc2C)C1 ZINC001030314088 911675373 /nfs/dbraw/zinc/67/53/73/911675373.db2.gz OGLOQOQQNBJRLP-UHFFFAOYSA-N 1 2 259.353 1.309 20 30 CDEDLO COC(=O)[C@H](CCc1cn(C)cn1)[NH2+][C@@H](C)CCCC#N ZINC001172493034 911730937 /nfs/dbraw/zinc/73/09/37/911730937.db2.gz RSQNWBVMIURIQQ-JSGCOSHPSA-N 1 2 292.383 1.566 20 30 CDEDLO O=C(C#Cc1cccnc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001177780132 914923550 /nfs/dbraw/zinc/92/35/50/914923550.db2.gz PKWBNOXPBQDQDH-OAHLLOKOSA-N 1 2 292.342 1.223 20 30 CDEDLO NC(=[NH2+])N(C(=O)C#Cc1cccnc1)c1ccccc1F ZINC001177781386 914924900 /nfs/dbraw/zinc/92/49/00/914924900.db2.gz RCQABMLZLBSKKJ-UHFFFAOYSA-N 1 2 282.278 1.499 20 30 CDEDLO Cc1ccc(C(=NC(=O)[C@@H](C)n2cc[nH+]c2)NO)nc1 ZINC001177927410 915055471 /nfs/dbraw/zinc/05/54/71/915055471.db2.gz RXZIYZDDEPSBLN-SNVBAGLBSA-N 1 2 273.296 1.100 20 30 CDEDLO N#Cc1cnc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)s1 ZINC001178121014 915164633 /nfs/dbraw/zinc/16/46/33/915164633.db2.gz AZJKZAACBCBHKN-VIFPVBQESA-N 1 2 287.348 1.090 20 30 CDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCOC2)CC1 ZINC001004354359 921788185 /nfs/dbraw/zinc/78/81/85/921788185.db2.gz BTYRBZNMHPJAER-LSDHHAIUSA-N 1 2 291.395 1.249 20 30 CDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCOC2)CC1 ZINC001004354359 921788198 /nfs/dbraw/zinc/78/81/98/921788198.db2.gz BTYRBZNMHPJAER-LSDHHAIUSA-N 1 2 291.395 1.249 20 30 CDEDLO C=CCC[N@@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@H](OC)C1 ZINC001212306641 915843439 /nfs/dbraw/zinc/84/34/39/915843439.db2.gz KPKNCTRVJAFTED-BBBLOLIVSA-N 1 2 298.280 1.278 20 30 CDEDLO C=CCC[N@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@H](OC)C1 ZINC001212306641 915843453 /nfs/dbraw/zinc/84/34/53/915843453.db2.gz KPKNCTRVJAFTED-BBBLOLIVSA-N 1 2 298.280 1.278 20 30 CDEDLO CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@@H](C)C#N)C2 ZINC001179888694 916021677 /nfs/dbraw/zinc/02/16/77/916021677.db2.gz AKSUZIOEJQGDIS-NSHDSACASA-N 1 2 289.383 1.294 20 30 CDEDLO CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@@H](C)C#N)C2 ZINC001179888694 916021692 /nfs/dbraw/zinc/02/16/92/916021692.db2.gz AKSUZIOEJQGDIS-NSHDSACASA-N 1 2 289.383 1.294 20 30 CDEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccco1)C2 ZINC001110238219 916449644 /nfs/dbraw/zinc/44/96/44/916449644.db2.gz WVXHEAQPYFOTAD-MCIONIFRSA-N 1 2 288.347 1.265 20 30 CDEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccco1)C2 ZINC001110238219 916449656 /nfs/dbraw/zinc/44/96/56/916449656.db2.gz WVXHEAQPYFOTAD-MCIONIFRSA-N 1 2 288.347 1.265 20 30 CDEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(F)c(C#N)c2F)C1 ZINC001180762070 916622130 /nfs/dbraw/zinc/62/21/30/916622130.db2.gz PZSSMUSJHQLRHS-LLVKDONJSA-N 1 2 281.262 1.106 20 30 CDEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(F)c(C#N)c2F)C1 ZINC001180762070 916622136 /nfs/dbraw/zinc/62/21/36/916622136.db2.gz PZSSMUSJHQLRHS-LLVKDONJSA-N 1 2 281.262 1.106 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCCO1)O2 ZINC001053590159 936416457 /nfs/dbraw/zinc/41/64/57/936416457.db2.gz BNDYJFBAFXXBMA-KGLIPLIRSA-N 1 2 294.395 1.091 20 30 CDEDLO CC(C)CCc1noc(C[NH2+]CCNC(=O)[C@@H](C)C#N)n1 ZINC001124908818 917762889 /nfs/dbraw/zinc/76/28/89/917762889.db2.gz SGKYIVYGDTYPPR-NSHDSACASA-N 1 2 293.371 1.024 20 30 CDEDLO Cc1ccc2[nH+]cc(CN3CCC(=O)[C@@H](C#N)C3)n2c1 ZINC001137310396 936458215 /nfs/dbraw/zinc/45/82/15/936458215.db2.gz VQKJNYGAEDDZLA-LBPRGKRZSA-N 1 2 268.320 1.557 20 30 CDEDLO C[C@H](CC(=O)N1C[C@H](NCC#N)C(C)(C)C1)n1cc[nH+]c1 ZINC000996362863 918246240 /nfs/dbraw/zinc/24/62/40/918246240.db2.gz IKJAYVISLZPTNI-OLZOCXBDSA-N 1 2 289.383 1.184 20 30 CDEDLO N#Cc1ccc(NCC=CCNC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001107539523 918437008 /nfs/dbraw/zinc/43/70/08/918437008.db2.gz NZPGJSBKBCYHBZ-OWOJBTEDSA-N 1 2 296.334 1.003 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2(c3ccc(O)cc3)CC2)CC1 ZINC001183340607 918457864 /nfs/dbraw/zinc/45/78/64/918457864.db2.gz MTAKWMLMNJADEG-UHFFFAOYSA-N 1 2 286.375 1.754 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCC)C1 ZINC001107743682 918721647 /nfs/dbraw/zinc/72/16/47/918721647.db2.gz VZFGVBTXWIKJTF-CQSZACIVSA-N 1 2 254.374 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCCC)C1 ZINC001107743682 918721660 /nfs/dbraw/zinc/72/16/60/918721660.db2.gz VZFGVBTXWIKJTF-CQSZACIVSA-N 1 2 254.374 1.570 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)OCC)C1 ZINC001107786311 918777528 /nfs/dbraw/zinc/77/75/28/918777528.db2.gz VBFREPCCPJKNIR-HIFRSBDPSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)OCC)C1 ZINC001107786311 918777536 /nfs/dbraw/zinc/77/75/36/918777536.db2.gz VBFREPCCPJKNIR-HIFRSBDPSA-N 1 2 284.400 1.195 20 30 CDEDLO N#CCN1CC=C(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001000944744 936544266 /nfs/dbraw/zinc/54/42/66/936544266.db2.gz UDQPQXOIXZXLML-UHFFFAOYSA-N 1 2 295.346 1.220 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C(=C)CC(=O)OCCCC)CC1 ZINC001184308442 919015670 /nfs/dbraw/zinc/01/56/70/919015670.db2.gz QSVYXOAFUREYNW-UHFFFAOYSA-N 1 2 294.395 1.606 20 30 CDEDLO COCCn1c[nH+]cc1CNC(=O)Nc1ccc(C#N)cc1 ZINC001184768779 919272266 /nfs/dbraw/zinc/27/22/66/919272266.db2.gz MURSZZQURFORAI-UHFFFAOYSA-N 1 2 299.334 1.723 20 30 CDEDLO N#Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](C3COC3)C2)cc1 ZINC001184768398 919272961 /nfs/dbraw/zinc/27/29/61/919272961.db2.gz AYRNFSMIXXLZSP-ZDUSSCGKSA-N 1 2 286.335 1.153 20 30 CDEDLO N#Cc1ccc(NC(=O)N[C@H]2CC[N@H+](C3COC3)C2)cc1 ZINC001184768398 919272971 /nfs/dbraw/zinc/27/29/71/919272971.db2.gz AYRNFSMIXXLZSP-ZDUSSCGKSA-N 1 2 286.335 1.153 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)c(C)cn1 ZINC001032533838 919351263 /nfs/dbraw/zinc/35/12/63/919351263.db2.gz PDONYDGGTBOJOE-KBPBESRZSA-N 1 2 269.348 1.230 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)c(C)cn1 ZINC001032533838 919351278 /nfs/dbraw/zinc/35/12/78/919351278.db2.gz PDONYDGGTBOJOE-KBPBESRZSA-N 1 2 269.348 1.230 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc([C@@H]3C[C@@H]3C)nc2)CC1 ZINC001185126339 919437897 /nfs/dbraw/zinc/43/78/97/919437897.db2.gz ISUCMQXQHSBZKE-GXTWGEPZSA-N 1 2 286.379 1.544 20 30 CDEDLO N#Cc1nn(-c2ccc[nH+]c2N)c2ccc(N)cc12 ZINC001212410852 919652036 /nfs/dbraw/zinc/65/20/36/919652036.db2.gz RGKBGXOCUIYGHM-UHFFFAOYSA-N 1 2 250.265 1.457 20 30 CDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1nc(C)c[nH]1 ZINC001272908630 920021193 /nfs/dbraw/zinc/02/11/93/920021193.db2.gz YRSXDOANNODNED-INIZCTEOSA-N 1 2 288.395 1.861 20 30 CDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1nc(C)c[nH]1 ZINC001272908630 920021205 /nfs/dbraw/zinc/02/12/05/920021205.db2.gz YRSXDOANNODNED-INIZCTEOSA-N 1 2 288.395 1.861 20 30 CDEDLO C[C@H](CNc1ccc(C#N)nc1)NC(=O)CCn1cc[nH+]c1 ZINC001108035684 920328215 /nfs/dbraw/zinc/32/82/15/920328215.db2.gz NQGWLSFUVQVONZ-GFCCVEGCSA-N 1 2 298.350 1.157 20 30 CDEDLO COC(=O)[C@H]1C[N@H+](Cc2cc(F)cc(C#N)c2)CCCO1 ZINC001139878747 936655744 /nfs/dbraw/zinc/65/57/44/936655744.db2.gz WIENMSBXCJAHEX-CQSZACIVSA-N 1 2 292.310 1.461 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(F)cc(C#N)c2)CCCO1 ZINC001139878747 936655745 /nfs/dbraw/zinc/65/57/45/936655745.db2.gz WIENMSBXCJAHEX-CQSZACIVSA-N 1 2 292.310 1.461 20 30 CDEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccnnc2)CC1 ZINC001139980832 936664644 /nfs/dbraw/zinc/66/46/44/936664644.db2.gz ZERKMYPSCJCVEW-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CC(C)(C)C)CC1 ZINC001070939484 936669039 /nfs/dbraw/zinc/66/90/39/936669039.db2.gz MUXIVVRPGOPQPI-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CC(C)(C)C)CC1 ZINC001070939484 936669041 /nfs/dbraw/zinc/66/90/41/936669041.db2.gz MUXIVVRPGOPQPI-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO Cc1ccc2n[nH]c(C[NH+]3CCN(CCC#N)CC3)c2c1 ZINC001140330824 936701780 /nfs/dbraw/zinc/70/17/80/936701780.db2.gz LZGGXCSRDFZDCR-UHFFFAOYSA-N 1 2 283.379 1.903 20 30 CDEDLO C=CC[N@H+]1CCC2(CN(C(=O)c3cc(C(F)F)[nH]n3)C2)C1 ZINC001072972025 936714523 /nfs/dbraw/zinc/71/45/23/936714523.db2.gz HYPPSHQWLNFJQG-UHFFFAOYSA-N 1 2 296.321 1.681 20 30 CDEDLO C=CC[N@@H+]1CCC2(CN(C(=O)c3cc(C(F)F)[nH]n3)C2)C1 ZINC001072972025 936714525 /nfs/dbraw/zinc/71/45/25/936714525.db2.gz HYPPSHQWLNFJQG-UHFFFAOYSA-N 1 2 296.321 1.681 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001098527272 936752905 /nfs/dbraw/zinc/75/29/05/936752905.db2.gz RZLGYGITLAQHRP-CQSZACIVSA-N 1 2 286.379 1.849 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2coc(C)c2)[C@H](O)C1 ZINC001090226545 922707587 /nfs/dbraw/zinc/70/75/87/922707587.db2.gz WMXCQKXINVVVET-CHWSQXEVSA-N 1 2 298.770 1.506 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2coc(C)c2)[C@H](O)C1 ZINC001090226545 922707602 /nfs/dbraw/zinc/70/76/02/922707602.db2.gz WMXCQKXINVVVET-CHWSQXEVSA-N 1 2 298.770 1.506 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2[nH]ccc2C)[C@H](O)C1 ZINC001090233187 922719579 /nfs/dbraw/zinc/71/95/79/922719579.db2.gz FOAKBBSFQFMADE-VXGBXAGGSA-N 1 2 297.786 1.241 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]ccc2C)[C@H](O)C1 ZINC001090233187 922719599 /nfs/dbraw/zinc/71/95/99/922719599.db2.gz FOAKBBSFQFMADE-VXGBXAGGSA-N 1 2 297.786 1.241 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141143823 936819484 /nfs/dbraw/zinc/81/94/84/936819484.db2.gz LNGGGIKCMXGYCF-UHFFFAOYSA-N 1 2 285.391 1.266 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1OCC ZINC000837137255 936830107 /nfs/dbraw/zinc/83/01/07/936830107.db2.gz BLJOLTVWOMBZGE-HZSPNIEDSA-N 1 2 264.369 1.158 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1OCC ZINC000837137255 936830110 /nfs/dbraw/zinc/83/01/10/936830110.db2.gz BLJOLTVWOMBZGE-HZSPNIEDSA-N 1 2 264.369 1.158 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001193241198 923559872 /nfs/dbraw/zinc/55/98/72/923559872.db2.gz QCGWWEIYGIEWRK-QLNSKBQOSA-N 1 2 298.814 1.669 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001193241198 923559885 /nfs/dbraw/zinc/55/98/85/923559885.db2.gz QCGWWEIYGIEWRK-QLNSKBQOSA-N 1 2 298.814 1.669 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C3CC3)CC2)[C@H](O)C1 ZINC001090347462 924115099 /nfs/dbraw/zinc/11/50/99/924115099.db2.gz RLGKRRJUBUFKPJ-CHWSQXEVSA-N 1 2 298.814 1.481 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C3CC3)CC2)[C@H](O)C1 ZINC001090347462 924115108 /nfs/dbraw/zinc/11/51/08/924115108.db2.gz RLGKRRJUBUFKPJ-CHWSQXEVSA-N 1 2 298.814 1.481 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)CCCCCC)C1 ZINC001195272318 924517936 /nfs/dbraw/zinc/51/79/36/924517936.db2.gz SGDCJJSFXSTWPR-BZUAXINKSA-N 1 2 294.439 1.778 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)CCCCCC)C1 ZINC001195272318 924517942 /nfs/dbraw/zinc/51/79/42/924517942.db2.gz SGDCJJSFXSTWPR-BZUAXINKSA-N 1 2 294.439 1.778 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2n[nH]cc2F)C1 ZINC001080397698 924554800 /nfs/dbraw/zinc/55/48/00/924554800.db2.gz OGIVVEVQPHYZIF-GMSGAONNSA-N 1 2 286.738 1.351 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2n[nH]cc2F)C1 ZINC001080397698 924554810 /nfs/dbraw/zinc/55/48/10/924554810.db2.gz OGIVVEVQPHYZIF-GMSGAONNSA-N 1 2 286.738 1.351 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)c(F)c2)[C@H](OC)C1 ZINC001081915857 924820093 /nfs/dbraw/zinc/82/00/93/924820093.db2.gz YJCWGIKZFLIDGU-HUUCEWRRSA-N 1 2 290.338 1.196 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)c(F)c2)[C@H](OC)C1 ZINC001081915857 924820099 /nfs/dbraw/zinc/82/00/99/924820099.db2.gz YJCWGIKZFLIDGU-HUUCEWRRSA-N 1 2 290.338 1.196 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(Cl)[nH]c(=O)c2)CC1 ZINC001196175171 924833147 /nfs/dbraw/zinc/83/31/47/924833147.db2.gz DTYSHKQLFSAAKJ-UHFFFAOYSA-N 1 2 281.743 1.384 20 30 CDEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(SC)n2)C[C@@H]1OC ZINC001141929013 936955339 /nfs/dbraw/zinc/95/53/39/936955339.db2.gz HTKFVEJQGWYICA-BETUJISGSA-N 1 2 293.392 1.521 20 30 CDEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(SC)n2)C[C@@H]1OC ZINC001141929013 936955341 /nfs/dbraw/zinc/95/53/41/936955341.db2.gz HTKFVEJQGWYICA-BETUJISGSA-N 1 2 293.392 1.521 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCC34CC4)[C@H]2C1 ZINC001083119928 925096569 /nfs/dbraw/zinc/09/65/69/925096569.db2.gz QUZMBOHVCAESNW-QLFBSQMISA-N 1 2 288.391 1.112 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCC34CC4)[C@H]2C1 ZINC001083119928 925096579 /nfs/dbraw/zinc/09/65/79/925096579.db2.gz QUZMBOHVCAESNW-QLFBSQMISA-N 1 2 288.391 1.112 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCOC3)[C@@H]2C1 ZINC001084245652 925188571 /nfs/dbraw/zinc/18/85/71/925188571.db2.gz ZNULISCJUPUXPO-MGPQQGTHSA-N 1 2 298.814 1.698 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCOC3)[C@@H]2C1 ZINC001084245652 925188574 /nfs/dbraw/zinc/18/85/74/925188574.db2.gz ZNULISCJUPUXPO-MGPQQGTHSA-N 1 2 298.814 1.698 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001084360761 925238205 /nfs/dbraw/zinc/23/82/05/925238205.db2.gz NLILKSMPDJGHMG-OPRDCNLKSA-N 1 2 280.265 1.606 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001084360761 925238208 /nfs/dbraw/zinc/23/82/08/925238208.db2.gz NLILKSMPDJGHMG-OPRDCNLKSA-N 1 2 280.265 1.606 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH]cnc43)[C@@H]2C1 ZINC001084735632 925392049 /nfs/dbraw/zinc/39/20/49/925392049.db2.gz XLIAYFUPFAHFOB-IUODEOHRSA-N 1 2 296.374 1.895 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH]cnc43)[C@@H]2C1 ZINC001084735632 925392053 /nfs/dbraw/zinc/39/20/53/925392053.db2.gz XLIAYFUPFAHFOB-IUODEOHRSA-N 1 2 296.374 1.895 20 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275.352 1.042 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2c(C)coc2C)CC1 ZINC001112816341 929457440 /nfs/dbraw/zinc/45/74/40/929457440.db2.gz JDXDZKQJAXJEKX-UHFFFAOYSA-N 1 2 292.379 1.857 20 30 CDEDLO CC[N@H+](Cc1snnc1C)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152414312 937360353 /nfs/dbraw/zinc/36/03/53/937360353.db2.gz ZULZRPPDGSMQPG-NXEZZACHSA-N 1 2 295.412 1.333 20 30 CDEDLO CC[N@@H+](Cc1snnc1C)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152414312 937360355 /nfs/dbraw/zinc/36/03/55/937360355.db2.gz ZULZRPPDGSMQPG-NXEZZACHSA-N 1 2 295.412 1.333 20 30 CDEDLO CC[N@H+](Cc1ccon1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152420001 937361162 /nfs/dbraw/zinc/36/11/62/937361162.db2.gz LGRLTHCTWWBJCQ-WDEREUQCSA-N 1 2 264.329 1.161 20 30 CDEDLO CC[N@@H+](Cc1ccon1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152420001 937361163 /nfs/dbraw/zinc/36/11/63/937361163.db2.gz LGRLTHCTWWBJCQ-WDEREUQCSA-N 1 2 264.329 1.161 20 30 CDEDLO C=CCC(F)(F)C(=O)NCCCCn1cc[nH+]c1 ZINC000815596411 930060311 /nfs/dbraw/zinc/06/03/11/930060311.db2.gz 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/nfs/dbraw/zinc/43/65/22/937436522.db2.gz XNLBAJSEHQBTEV-GFCCVEGCSA-N 1 2 282.413 1.916 20 30 CDEDLO C=CCn1cnn(C[N@@H+]2CC[C@@H](COCC)C2)c1=S ZINC001116201709 937436525 /nfs/dbraw/zinc/43/65/25/937436525.db2.gz XNLBAJSEHQBTEV-GFCCVEGCSA-N 1 2 282.413 1.916 20 30 CDEDLO C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001153393183 937444469 /nfs/dbraw/zinc/44/44/69/937444469.db2.gz OOGUJSJHFZDCSU-CHWSQXEVSA-N 1 2 288.395 1.289 20 30 CDEDLO C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001153393183 937444470 /nfs/dbraw/zinc/44/44/70/937444470.db2.gz OOGUJSJHFZDCSU-CHWSQXEVSA-N 1 2 288.395 1.289 20 30 CDEDLO C=C[C@@H]1C[C@]1(Nc1c[nH+]c2c(c1)CCCN2)C(=O)OCC ZINC001170926490 930796813 /nfs/dbraw/zinc/79/68/13/930796813.db2.gz CCFKKCLNDJVKOZ-MLGOLLRUSA-N 1 2 287.363 1.647 20 30 CDEDLO N#CCC[NH+]1CCC2(C[C@@H]2C(=O)NCc2ncccn2)CC1 ZINC001274032640 931135350 /nfs/dbraw/zinc/13/53/50/931135350.db2.gz UGIPGXMQUKCPIA-CYBMUJFWSA-N 1 2 299.378 1.109 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C)[C@H](O)C1 ZINC001090746048 931386227 /nfs/dbraw/zinc/38/62/27/931386227.db2.gz GFROQICQKWGKHW-WDEREUQCSA-N 1 2 274.792 1.336 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C)[C@H](O)C1 ZINC001090746048 931386238 /nfs/dbraw/zinc/38/62/38/931386238.db2.gz GFROQICQKWGKHW-WDEREUQCSA-N 1 2 274.792 1.336 20 30 CDEDLO C=CCN1C[C@@]2(CCN(c3cccc[nH+]3)C2)OCC1=O ZINC001274739142 931562954 /nfs/dbraw/zinc/56/29/54/931562954.db2.gz AGQUBBWFBJRFNG-HNNXBMFYSA-N 1 2 273.336 1.075 20 30 CDEDLO C#CCN1CC[C@]2(CCN(c3cccc[nH+]3)C2)C1=O ZINC001274739300 931563396 /nfs/dbraw/zinc/56/33/96/931563396.db2.gz FIBAEPRQRRKRBQ-OAHLLOKOSA-N 1 2 255.321 1.144 20 30 CDEDLO N#Cc1cccc(C[NH+]2CC3(CCN3Cc3cn[nH]c3)C2)c1 ZINC001275290560 931725418 /nfs/dbraw/zinc/72/54/18/931725418.db2.gz QZMFTNWYEOJLAD-UHFFFAOYSA-N 1 2 293.374 1.742 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c(F)cc(O)cc2F)CC1 ZINC001144558696 931897981 /nfs/dbraw/zinc/89/79/81/931897981.db2.gz AHYPGMIESFZRLL-UHFFFAOYSA-N 1 2 266.291 1.421 20 30 CDEDLO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CC(N(C)[C@@H]2CCOC2)C1 ZINC001171224854 932028331 /nfs/dbraw/zinc/02/83/31/932028331.db2.gz VJARWEYRCLEWBU-WMLDXEAASA-N 1 2 299.418 1.894 20 30 CDEDLO C#Cc1ccccc1CC(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001149117408 932211737 /nfs/dbraw/zinc/21/17/37/932211737.db2.gz ISVKBUWOMCQCGF-UHFFFAOYSA-N 1 2 297.358 1.413 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc3c2ncn3C)CC1 ZINC001154993760 937618328 /nfs/dbraw/zinc/61/83/28/937618328.db2.gz WJWZUQNMNDZNLS-UHFFFAOYSA-N 1 2 284.363 1.517 20 30 CDEDLO N#CCc1cc[nH+]c(N2CCN(c3ccncn3)CC2)c1 ZINC001155124107 937638579 /nfs/dbraw/zinc/63/85/79/937638579.db2.gz AOZAWDOTURNDME-UHFFFAOYSA-N 1 2 280.335 1.264 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc[nH]1)c1nccn12 ZINC001092347605 932935984 /nfs/dbraw/zinc/93/59/84/932935984.db2.gz ANXSFLMUDJHKRM-CYBMUJFWSA-N 1 2 297.362 1.283 20 30 CDEDLO CC#CCCCC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928645632 933168609 /nfs/dbraw/zinc/16/86/09/933168609.db2.gz ZUBLIFVWIOCSRN-AWEZNQCLSA-N 1 2 266.385 1.407 20 30 CDEDLO Cc1ccc(C#N)cc1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000934592147 933955898 /nfs/dbraw/zinc/95/58/98/933955898.db2.gz JPYFUQUUWCSKBM-OAHLLOKOSA-N 1 2 299.374 1.413 20 30 CDEDLO Cc1nc(NCCC[C@H](C)NC(=O)[C@H](C)C#N)cc[nH+]1 ZINC001114873297 935241430 /nfs/dbraw/zinc/24/14/30/935241430.db2.gz ZVJOQUIBGHKWSD-MNOVXSKESA-N 1 2 275.356 1.642 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)[C@H](C)CO2 ZINC001038621771 935413808 /nfs/dbraw/zinc/41/38/08/935413808.db2.gz QBKVTLRLLQMKFI-OCCSQVGLSA-N 1 2 284.359 1.620 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)[C@H](C)CO2 ZINC001038621771 935413810 /nfs/dbraw/zinc/41/38/10/935413810.db2.gz QBKVTLRLLQMKFI-OCCSQVGLSA-N 1 2 284.359 1.620 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c(C)ccn2C)C1 ZINC001010766275 935469699 /nfs/dbraw/zinc/46/96/99/935469699.db2.gz ICCUSMBEMYFUQC-GFCCVEGCSA-N 1 2 281.787 1.890 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)ccn2C)C1 ZINC001010766275 935469704 /nfs/dbraw/zinc/46/97/04/935469704.db2.gz ICCUSMBEMYFUQC-GFCCVEGCSA-N 1 2 281.787 1.890 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccoc1 ZINC001017499168 935641344 /nfs/dbraw/zinc/64/13/44/935641344.db2.gz FDDDHKXEFTXJQN-OKILXGFUSA-N 1 2 258.321 1.131 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccoc1 ZINC001017499168 935641348 /nfs/dbraw/zinc/64/13/48/935641348.db2.gz FDDDHKXEFTXJQN-OKILXGFUSA-N 1 2 258.321 1.131 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)c1ccncc1 ZINC001017659468 935646206 /nfs/dbraw/zinc/64/62/06/935646206.db2.gz UISPQPOGYRZMQU-OIISXLGYSA-N 1 2 297.402 1.884 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)c1ccncc1 ZINC001017659468 935646207 /nfs/dbraw/zinc/64/62/07/935646207.db2.gz UISPQPOGYRZMQU-OIISXLGYSA-N 1 2 297.402 1.884 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)C1CC1 ZINC001018319321 935664836 /nfs/dbraw/zinc/66/48/36/935664836.db2.gz LJVWHOJFVXILAO-AEGPPILISA-N 1 2 260.381 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)C1CC1 ZINC001018319321 935664840 /nfs/dbraw/zinc/66/48/40/935664840.db2.gz LJVWHOJFVXILAO-AEGPPILISA-N 1 2 260.381 1.731 20 30 CDEDLO COCCn1c[nH+]cc1CNC(=O)Nc1cccc(C#N)c1 ZINC001202791249 935690307 /nfs/dbraw/zinc/69/03/07/935690307.db2.gz ASNHHVANAQUOBJ-UHFFFAOYSA-N 1 2 299.334 1.723 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1COc2cc(C)c(C)cc21 ZINC001038557353 935748933 /nfs/dbraw/zinc/74/89/33/935748933.db2.gz DIAFIFLKLQBLON-HOCLYGCPSA-N 1 2 298.386 1.603 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1COc2cc(C)c(C)cc21 ZINC001038557353 935748934 /nfs/dbraw/zinc/74/89/34/935748934.db2.gz DIAFIFLKLQBLON-HOCLYGCPSA-N 1 2 298.386 1.603 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)c(Cl)c1 ZINC001039013766 935765895 /nfs/dbraw/zinc/76/58/95/935765895.db2.gz WJOAFIMFQWWIDZ-GFCCVEGCSA-N 1 2 292.766 1.786 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)c(Cl)c1 ZINC001039013766 935765898 /nfs/dbraw/zinc/76/58/98/935765898.db2.gz WJOAFIMFQWWIDZ-GFCCVEGCSA-N 1 2 292.766 1.786 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1 ZINC001039047259 935767420 /nfs/dbraw/zinc/76/74/20/935767420.db2.gz OWRSXMIVVVLZJM-RDJZCZTQSA-N 1 2 298.386 1.431 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1 ZINC001039047259 935767422 /nfs/dbraw/zinc/76/74/22/935767422.db2.gz OWRSXMIVVVLZJM-RDJZCZTQSA-N 1 2 298.386 1.431 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)C(F)F)C[C@H]21 ZINC001041877274 935806135 /nfs/dbraw/zinc/80/61/35/935806135.db2.gz AZMXNURKSNQPII-VHSXEESVSA-N 1 2 278.730 1.927 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)C(F)F)C[C@H]21 ZINC001041877274 935806140 /nfs/dbraw/zinc/80/61/40/935806140.db2.gz AZMXNURKSNQPII-VHSXEESVSA-N 1 2 278.730 1.927 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccn[nH]3)C[C@@H]21 ZINC001041957188 935809295 /nfs/dbraw/zinc/80/92/95/935809295.db2.gz DKUWNRMRRKCOFO-AAEUAGOBSA-N 1 2 294.786 1.699 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccn[nH]3)C[C@@H]21 ZINC001041957188 935809297 /nfs/dbraw/zinc/80/92/97/935809297.db2.gz DKUWNRMRRKCOFO-AAEUAGOBSA-N 1 2 294.786 1.699 20 30 CDEDLO C=CCC[NH+]1CC(N(C)C(=O)c2nccs2)C1 ZINC001044083464 935851042 /nfs/dbraw/zinc/85/10/42/935851042.db2.gz KLPYPCQANUMXJQ-UHFFFAOYSA-N 1 2 251.355 1.475 20 30 CDEDLO C=C(Br)C[NH+]1CCC(C)(NC(C)=O)CC1 ZINC001045336726 935881582 /nfs/dbraw/zinc/88/15/82/935881582.db2.gz WUQXOWVYRUBGEO-UHFFFAOYSA-N 1 2 275.190 1.886 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(C)nn2C)C1 ZINC001046178139 935930929 /nfs/dbraw/zinc/93/09/29/935930929.db2.gz PZBJOCIZAMJWGE-CQSZACIVSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C)nn2C)C1 ZINC001046178139 935930931 /nfs/dbraw/zinc/93/09/31/935930931.db2.gz PZBJOCIZAMJWGE-CQSZACIVSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnc(C)[nH]2)C1 ZINC001046196031 935933024 /nfs/dbraw/zinc/93/30/24/935933024.db2.gz RMOKONXIOOPKKO-ZDUSSCGKSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnc(C)[nH]2)C1 ZINC001046196031 935933026 /nfs/dbraw/zinc/93/30/26/935933026.db2.gz RMOKONXIOOPKKO-ZDUSSCGKSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ncccn2)C1 ZINC001046718498 935969923 /nfs/dbraw/zinc/96/99/23/935969923.db2.gz CNTHXAMUCROMQF-ZDUSSCGKSA-N 1 2 280.759 1.423 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ncccn2)C1 ZINC001046718498 935969925 /nfs/dbraw/zinc/96/99/25/935969925.db2.gz CNTHXAMUCROMQF-ZDUSSCGKSA-N 1 2 280.759 1.423 20 30 CDEDLO C[C@H](C#N)OCC[N@@H+]1CCOc2cccc(F)c2C1 ZINC000801955145 936018665 /nfs/dbraw/zinc/01/86/65/936018665.db2.gz QLVCXSOPUZVEKB-LLVKDONJSA-N 1 2 264.300 1.949 20 30 CDEDLO C[C@H](C#N)OCC[N@H+]1CCOc2cccc(F)c2C1 ZINC000801955145 936018666 /nfs/dbraw/zinc/01/86/66/936018666.db2.gz QLVCXSOPUZVEKB-LLVKDONJSA-N 1 2 264.300 1.949 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCF)cn1 ZINC001096382089 936056277 /nfs/dbraw/zinc/05/62/77/936056277.db2.gz AKFPGQBGRZMHFP-ILXRZTDVSA-N 1 2 287.338 1.368 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCF)cn1 ZINC001096382089 936056280 /nfs/dbraw/zinc/05/62/80/936056280.db2.gz AKFPGQBGRZMHFP-ILXRZTDVSA-N 1 2 287.338 1.368 20 30 CDEDLO C=CCCC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001096929892 936239931 /nfs/dbraw/zinc/23/99/31/936239931.db2.gz RPZBDTIUCKFLAV-LBPRGKRZSA-N 1 2 260.341 1.764 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1ccc(C2(C#N)CCC2)cn1 ZINC001156320235 938351543 /nfs/dbraw/zinc/35/15/43/938351543.db2.gz UZLBQAMXPJKVIJ-ZDUSSCGKSA-N 1 2 267.336 1.329 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1ncnc2c(F)cccc21 ZINC001156319826 938351578 /nfs/dbraw/zinc/35/15/78/938351578.db2.gz GXAVFTXGCQXUMS-VIFPVBQESA-N 1 2 257.272 1.071 20 30 CDEDLO CCN(CC)C(=O)[C@H](C)Nc1cc(CC#N)cc[nH+]1 ZINC001156364514 938358589 /nfs/dbraw/zinc/35/85/89/938358589.db2.gz VOEZNLRGWIKQJZ-NSHDSACASA-N 1 2 260.341 1.816 20 30 CDEDLO CN1CC[C@@H](Nc2[nH+]ccc3ccc(C#N)cc32)C1=O ZINC001156502512 938376020 /nfs/dbraw/zinc/37/60/20/938376020.db2.gz IQJQFRBXYWSUNU-CYBMUJFWSA-N 1 2 266.304 1.749 20 30 CDEDLO N#Cc1ccccc1OC1CN(c2cc(N)nc[nH+]2)C1 ZINC001158772923 938662773 /nfs/dbraw/zinc/66/27/73/938662773.db2.gz MRMDJQTYDICCSH-UHFFFAOYSA-N 1 2 267.292 1.198 20 30 CDEDLO N#Cc1cnc(Nc2nccnc2C[NH3+])c(Cl)c1 ZINC001160246176 938777210 /nfs/dbraw/zinc/77/72/10/938777210.db2.gz ODBWGLSUKYCYQE-UHFFFAOYSA-N 1 2 260.688 1.599 20 30 CDEDLO C=CCOc1ccc(NC[C@H]2C[N@H+](C)CCO2)nc1C#N ZINC001162684496 939116885 /nfs/dbraw/zinc/11/68/85/939116885.db2.gz ZNELOLIZYRUTIK-LBPRGKRZSA-N 1 2 288.351 1.261 20 30 CDEDLO C=CCOc1ccc(NC[C@H]2C[N@@H+](C)CCO2)nc1C#N ZINC001162684496 939116887 /nfs/dbraw/zinc/11/68/87/939116887.db2.gz ZNELOLIZYRUTIK-LBPRGKRZSA-N 1 2 288.351 1.261 20 30 CDEDLO Cc1cnc(NC[C@H]([NH3+])C(=O)OC(C)(C)C)c(C#N)c1 ZINC001162850168 939153226 /nfs/dbraw/zinc/15/32/26/939153226.db2.gz UZWLTAYRXLQERZ-NSHDSACASA-N 1 2 276.340 1.343 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(OC)cc2OC)CC1 ZINC001203482104 939688194 /nfs/dbraw/zinc/68/81/94/939688194.db2.gz SQAYUZYWYLSMIE-UHFFFAOYSA-N 1 2 274.364 1.455 20 30 CDEDLO C#CCN1CC[NH+](Cc2ccc(OC)cc2OC)CC1 ZINC001203482104 939688195 /nfs/dbraw/zinc/68/81/95/939688195.db2.gz SQAYUZYWYLSMIE-UHFFFAOYSA-N 1 2 274.364 1.455 20 30 CDEDLO COc1cc(C#N)ccc1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001276412471 939691277 /nfs/dbraw/zinc/69/12/77/939691277.db2.gz IIJOIPYJCSJLNC-UHFFFAOYSA-N 1 2 271.320 1.097 20 30 CDEDLO COc1cc(C#N)ccc1C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001276412471 939691279 /nfs/dbraw/zinc/69/12/79/939691279.db2.gz IIJOIPYJCSJLNC-UHFFFAOYSA-N 1 2 271.320 1.097 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccccn2)CC1 ZINC001204064759 939727315 /nfs/dbraw/zinc/72/73/15/939727315.db2.gz BUYDCBHUCSLESL-UHFFFAOYSA-N 1 2 259.309 1.360 20 30 CDEDLO COc1ncnc(Nc2ccn3cc[nH+]c3c2)c1C#N ZINC001204972284 939810062 /nfs/dbraw/zinc/81/00/62/939810062.db2.gz YAMADXHMEZNRKN-UHFFFAOYSA-N 1 2 266.264 1.748 20 30 CDEDLO O=C1C=C2C[N@@H+](C[C@H]3CCCOC3)CC[C@@H]2S1 ZINC001207465504 940201811 /nfs/dbraw/zinc/20/18/11/940201811.db2.gz XDDUXUVSWLHQFP-PWSUYJOCSA-N 1 2 253.367 1.687 20 30 CDEDLO O=C1C=C2C[N@H+](C[C@H]3CCCOC3)CC[C@@H]2S1 ZINC001207465504 940201813 /nfs/dbraw/zinc/20/18/13/940201813.db2.gz XDDUXUVSWLHQFP-PWSUYJOCSA-N 1 2 253.367 1.687 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000089944827 940384549 /nfs/dbraw/zinc/38/45/49/940384549.db2.gz IEXSVRULAQBPPM-UHFFFAOYSA-N 1 2 257.312 1.448 20 30 CDEDLO C=CCCCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)OCC ZINC001209202704 940447457 /nfs/dbraw/zinc/44/74/57/940447457.db2.gz NWNSHQVCUQEPTJ-LBPRGKRZSA-N 1 2 268.357 1.096 20 30 CDEDLO C=CCCCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)OCC ZINC001209202704 940447458 /nfs/dbraw/zinc/44/74/58/940447458.db2.gz NWNSHQVCUQEPTJ-LBPRGKRZSA-N 1 2 268.357 1.096 20 30 CDEDLO C#CCCC[N@@H+]1CCc2c(nnn2CC2CC2)[C@@H]1COC ZINC001209262993 940454192 /nfs/dbraw/zinc/45/41/92/940454192.db2.gz DUDGPNSXQCSPIK-HNNXBMFYSA-N 1 2 288.395 1.647 20 30 CDEDLO C#CCCC[N@H+]1CCc2c(nnn2CC2CC2)[C@@H]1COC ZINC001209262993 940454194 /nfs/dbraw/zinc/45/41/94/940454194.db2.gz DUDGPNSXQCSPIK-HNNXBMFYSA-N 1 2 288.395 1.647 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C(CC)CC)[C@H]2C1 ZINC001218208525 941043886 /nfs/dbraw/zinc/04/38/86/941043886.db2.gz ZNLRDTZOFGRAOX-VNQPRFMTSA-N 1 2 292.423 1.604 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C(CC)CC)[C@H]2C1 ZINC001218208525 941043888 /nfs/dbraw/zinc/04/38/88/941043888.db2.gz ZNLRDTZOFGRAOX-VNQPRFMTSA-N 1 2 292.423 1.604 20 30 CDEDLO CCCCCCCCOC(=O)NC[C@@H]([NH3+])C(=O)OCC ZINC001239324257 945412691 /nfs/dbraw/zinc/41/26/91/945412691.db2.gz VEGSIIHDSKTUNF-GFCCVEGCSA-N 1 2 288.388 1.964 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)CCC(C)(C)C)[C@@H](O)C1 ZINC001220762732 941469753 /nfs/dbraw/zinc/46/97/53/941469753.db2.gz SEZTYLZBSRNVJG-MCIONIFRSA-N 1 2 280.412 1.243 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CCC(C)(C)C)[C@@H](O)C1 ZINC001220762732 941469755 /nfs/dbraw/zinc/46/97/55/941469755.db2.gz SEZTYLZBSRNVJG-MCIONIFRSA-N 1 2 280.412 1.243 20 30 CDEDLO CC#CC[NH+]1CCC(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001223265270 941666495 /nfs/dbraw/zinc/66/64/95/941666495.db2.gz DJNCGVNYZJUGML-LLVKDONJSA-N 1 2 294.292 1.738 20 30 CDEDLO CC#CC[NH+]1CCC(CNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001223265270 941666496 /nfs/dbraw/zinc/66/64/96/941666496.db2.gz DJNCGVNYZJUGML-LLVKDONJSA-N 1 2 294.292 1.738 20 30 CDEDLO N#CC1(NC(=O)[C@]23C[C@H]2CC[N@@H+]3Cc2cccnc2)CCC1 ZINC001277079880 941922088 /nfs/dbraw/zinc/92/20/88/941922088.db2.gz BXRHDPULVOOGRN-PBHICJAKSA-N 1 2 296.374 1.608 20 30 CDEDLO N#CC1(NC(=O)[C@]23C[C@H]2CC[N@H+]3Cc2cccnc2)CCC1 ZINC001277079880 941922091 /nfs/dbraw/zinc/92/20/91/941922091.db2.gz BXRHDPULVOOGRN-PBHICJAKSA-N 1 2 296.374 1.608 20 30 CDEDLO Cc1ccc(C#N)cc1O[C@@H](C)C[NH+]1CCOCC1 ZINC001226875009 942087153 /nfs/dbraw/zinc/08/71/53/942087153.db2.gz QKUBHCRLUFOISV-ZDUSSCGKSA-N 1 2 260.337 1.966 20 30 CDEDLO C#CCCCC(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001227084857 942129358 /nfs/dbraw/zinc/12/93/58/942129358.db2.gz MOODQHQDZXHSAR-UHFFFAOYSA-N 1 2 286.379 1.361 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCCCC ZINC001230772469 942692764 /nfs/dbraw/zinc/69/27/64/942692764.db2.gz HNYZIYLZYGOAKS-CQSZACIVSA-N 1 2 295.427 1.402 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCCC ZINC001230772469 942692769 /nfs/dbraw/zinc/69/27/69/942692769.db2.gz HNYZIYLZYGOAKS-CQSZACIVSA-N 1 2 295.427 1.402 20 30 CDEDLO CCc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)nc1 ZINC001230851419 942713418 /nfs/dbraw/zinc/71/34/18/942713418.db2.gz ONYZJXMVRFYQLV-KYFMZXIUSA-N 1 2 260.337 1.635 20 30 CDEDLO CCc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)nc1 ZINC001230851419 942713423 /nfs/dbraw/zinc/71/34/23/942713423.db2.gz ONYZJXMVRFYQLV-KYFMZXIUSA-N 1 2 260.337 1.635 20 30 CDEDLO Cc1ncc(C[N@H+]2CC[C@H]2CN(C)C(=O)[C@@H](C)C#N)s1 ZINC001231248082 942833984 /nfs/dbraw/zinc/83/39/84/942833984.db2.gz UJZVADCGMVBQBC-JQWIXIFHSA-N 1 2 292.408 1.644 20 30 CDEDLO Cc1ncc(C[N@@H+]2CC[C@H]2CN(C)C(=O)[C@@H](C)C#N)s1 ZINC001231248082 942833990 /nfs/dbraw/zinc/83/39/90/942833990.db2.gz UJZVADCGMVBQBC-JQWIXIFHSA-N 1 2 292.408 1.644 20 30 CDEDLO N#C[C@H]1CN(Cc2cc3c[nH+]ccc3[nH]2)CCC1=O ZINC001232013773 943095606 /nfs/dbraw/zinc/09/56/06/943095606.db2.gz FJYAFTUVOZJCQF-NSHDSACASA-N 1 2 254.293 1.477 20 30 CDEDLO COc1cncc(OC)c1C[NH+]1CCC(C#N)CC1 ZINC001232501016 943304070 /nfs/dbraw/zinc/30/40/70/943304070.db2.gz VNGHKIXUFZDRHX-UHFFFAOYSA-N 1 2 261.325 1.834 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2O)CCC[C@H]1O ZINC001232673741 943353868 /nfs/dbraw/zinc/35/38/68/943353868.db2.gz MIEDWIURXUJRSF-BXUZGUMPSA-N 1 2 260.337 1.857 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2O)CCC[C@H]1O ZINC001232673741 943353875 /nfs/dbraw/zinc/35/38/75/943353875.db2.gz MIEDWIURXUJRSF-BXUZGUMPSA-N 1 2 260.337 1.857 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC001232675969 943356865 /nfs/dbraw/zinc/35/68/65/943356865.db2.gz XKEPRUJPUDGCNB-HNNXBMFYSA-N 1 2 274.320 1.255 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC001232675969 943356870 /nfs/dbraw/zinc/35/68/70/943356870.db2.gz XKEPRUJPUDGCNB-HNNXBMFYSA-N 1 2 274.320 1.255 20 30 CDEDLO CNC(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232681827 943363184 /nfs/dbraw/zinc/36/31/84/943363184.db2.gz WAPDYCYDWVJPSM-ZDUSSCGKSA-N 1 2 288.351 1.157 20 30 CDEDLO CNC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232681827 943363189 /nfs/dbraw/zinc/36/31/89/943363189.db2.gz WAPDYCYDWVJPSM-ZDUSSCGKSA-N 1 2 288.351 1.157 20 30 CDEDLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2[nH]ccc2C#N)C1 ZINC001233046674 943474358 /nfs/dbraw/zinc/47/43/58/943474358.db2.gz FSIRRTLVXCCRID-GFCCVEGCSA-N 1 2 261.325 1.661 20 30 CDEDLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2[nH]ccc2C#N)C1 ZINC001233046674 943474361 /nfs/dbraw/zinc/47/43/61/943474361.db2.gz FSIRRTLVXCCRID-GFCCVEGCSA-N 1 2 261.325 1.661 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c(F)ccc(O)c2F)CC1 ZINC001233396289 943577941 /nfs/dbraw/zinc/57/79/41/943577941.db2.gz UTHTYOMIRGLNKU-UHFFFAOYSA-N 1 2 266.291 1.421 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)n1cccc1 ZINC001233730532 943646870 /nfs/dbraw/zinc/64/68/70/943646870.db2.gz JGFUYSKUDTZUPN-KGLIPLIRSA-N 1 2 259.353 1.215 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)n1cccc1 ZINC001233730532 943646873 /nfs/dbraw/zinc/64/68/73/943646873.db2.gz JGFUYSKUDTZUPN-KGLIPLIRSA-N 1 2 259.353 1.215 20 30 CDEDLO C[C@H](C[NH+](C)C)Oc1[nH]c(=O)nc2ccc(C#N)cc21 ZINC001234531284 943882202 /nfs/dbraw/zinc/88/22/02/943882202.db2.gz XIEKXAOEQIAMKV-SECBINFHSA-N 1 2 272.308 1.536 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001234614515 943917763 /nfs/dbraw/zinc/91/77/63/943917763.db2.gz SXMYHILQNYRCSQ-QWHCGFSZSA-N 1 2 281.400 1.010 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001234614515 943917767 /nfs/dbraw/zinc/91/77/67/943917767.db2.gz SXMYHILQNYRCSQ-QWHCGFSZSA-N 1 2 281.400 1.010 20 30 CDEDLO COc1cc(O)c(C[N@@H+]2CC[C@H](C#N)C2)cc1OC ZINC001236751476 944557954 /nfs/dbraw/zinc/55/79/54/944557954.db2.gz FIXRDZQMBGQYNP-SNVBAGLBSA-N 1 2 262.309 1.755 20 30 CDEDLO COc1cc(O)c(C[N@H+]2CC[C@H](C#N)C2)cc1OC ZINC001236751476 944557960 /nfs/dbraw/zinc/55/79/60/944557960.db2.gz FIXRDZQMBGQYNP-SNVBAGLBSA-N 1 2 262.309 1.755 20 30 CDEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001265925470 944576118 /nfs/dbraw/zinc/57/61/18/944576118.db2.gz SLPVMTCJKMKIQV-OLZOCXBDSA-N 1 2 292.383 1.671 20 30 CDEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccccc2OCCO)C1 ZINC001237205287 944693435 /nfs/dbraw/zinc/69/34/35/944693435.db2.gz NXJXGMPXXVMNRO-HNNXBMFYSA-N 1 2 260.337 1.793 20 30 CDEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccccc2OCCO)C1 ZINC001237205287 944693440 /nfs/dbraw/zinc/69/34/40/944693440.db2.gz NXJXGMPXXVMNRO-HNNXBMFYSA-N 1 2 260.337 1.793 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)[C@]1(C#N)CC12CCCC2 ZINC001362335517 971166066 /nfs/dbraw/zinc/16/60/66/971166066.db2.gz OSJKETBUMCKPNL-OAHLLOKOSA-N 1 2 272.352 1.553 20 30 CDEDLO Cc1cc(N(C)C)[nH+]cc1-c1cnc(CC#N)nc1 ZINC001241242689 946198927 /nfs/dbraw/zinc/19/89/27/946198927.db2.gz JOIULYYLXCNMBD-UHFFFAOYSA-N 1 2 253.309 1.979 20 30 CDEDLO C=C[C@@H]1C[C@@]1([NH2+]C1CCN(C(C)=O)CC1)C(=O)OCC ZINC001254418880 947432186 /nfs/dbraw/zinc/43/21/86/947432186.db2.gz XTPBXRXTMRHDPX-DOMZBBRYSA-N 1 2 280.368 1.095 20 30 CDEDLO C[C@H](CC(F)(F)F)[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001255655989 948055187 /nfs/dbraw/zinc/05/51/87/948055187.db2.gz OIVAWPFGPAUYOP-SNVBAGLBSA-N 1 2 299.300 1.811 20 30 CDEDLO C=CC[C@@H]1NC(=O)N([C@@H]2CCN(c3cccc[nH+]3)C2)C1=O ZINC001255839841 948111894 /nfs/dbraw/zinc/11/18/94/948111894.db2.gz PDKCDDSCMGSIQU-NEPJUHHUSA-N 1 2 286.335 1.157 20 30 CDEDLO Cc1cc(-c2noc([C@H](CO)n3cc[nH+]c3)n2)ccc1C#N ZINC001247263761 948610830 /nfs/dbraw/zinc/61/08/30/948610830.db2.gz STPGGMFHLHHIIO-ZDUSSCGKSA-N 1 2 295.302 1.695 20 30 CDEDLO C=CCCCNC(=S)NCCOc1cc[nH+]cc1 ZINC001247802643 948786460 /nfs/dbraw/zinc/78/64/60/948786460.db2.gz SJRYQGVUSMRKLH-UHFFFAOYSA-N 1 2 265.382 1.891 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1C1CCN(c2cccc(F)c2)CC1 ZINC001258419921 948843301 /nfs/dbraw/zinc/84/33/01/948843301.db2.gz IHAFPNUGRSYKKL-MRXNPFEDSA-N 1 2 288.370 1.592 20 30 CDEDLO C[N@@H+]1CCO[C@@H](c2nc(-c3ccc(C#N)cn3)no2)C1 ZINC001248226626 948978977 /nfs/dbraw/zinc/97/89/77/948978977.db2.gz DZIPWZWMIYGFAY-LLVKDONJSA-N 1 2 271.280 1.006 20 30 CDEDLO C[N@H+]1CCO[C@@H](c2nc(-c3ccc(C#N)cn3)no2)C1 ZINC001248226626 948978989 /nfs/dbraw/zinc/97/89/89/948978989.db2.gz DZIPWZWMIYGFAY-LLVKDONJSA-N 1 2 271.280 1.006 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccnc(OCC)c2)CC1 ZINC001250014989 949958233 /nfs/dbraw/zinc/95/82/33/949958233.db2.gz XLTWNXIGEHZNLO-UHFFFAOYSA-N 1 2 259.353 1.231 20 30 CDEDLO C#CCOC[C@H](O)C[N@@H+]1CCc2nc(Cl)ccc2C1 ZINC001251847626 950868790 /nfs/dbraw/zinc/86/87/90/950868790.db2.gz JNDJPGHQSUUQBK-GFCCVEGCSA-N 1 2 280.755 1.104 20 30 CDEDLO C#CCOC[C@H](O)C[N@H+]1CCc2nc(Cl)ccc2C1 ZINC001251847626 950868804 /nfs/dbraw/zinc/86/88/04/950868804.db2.gz JNDJPGHQSUUQBK-GFCCVEGCSA-N 1 2 280.755 1.104 20 30 CDEDLO C#CCOC[C@@H](O)CNc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001251867329 950890140 /nfs/dbraw/zinc/89/01/40/950890140.db2.gz CNJTYIONXSDDRC-AWEZNQCLSA-N 1 2 271.320 1.499 20 30 CDEDLO C#CC[N@H+](C)CCC[NH2+]Cc1cc(C(=O)[O-])oc1C ZINC000380909248 971724993 /nfs/dbraw/zinc/72/49/93/971724993.db2.gz IZEZILCYLUAKHE-UHFFFAOYSA-N 1 2 264.325 1.331 20 30 CDEDLO C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C(=O)[O-])oc1C ZINC000380909248 971724998 /nfs/dbraw/zinc/72/49/98/971724998.db2.gz IZEZILCYLUAKHE-UHFFFAOYSA-N 1 2 264.325 1.331 20 30 CDEDLO C=CCOC[C@H](O)C[NH+]1CC(Oc2ccc(F)cc2)C1 ZINC001252470809 951322739 /nfs/dbraw/zinc/32/27/39/951322739.db2.gz QPHJZVYPPILBTM-CYBMUJFWSA-N 1 2 281.327 1.452 20 30 CDEDLO COc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC001252716450 951607762 /nfs/dbraw/zinc/60/77/62/951607762.db2.gz MJZFLZDZIRROBG-KBPBESRZSA-N 1 2 290.363 1.670 20 30 CDEDLO COc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC001252716450 951607769 /nfs/dbraw/zinc/60/77/69/951607769.db2.gz MJZFLZDZIRROBG-KBPBESRZSA-N 1 2 290.363 1.670 20 30 CDEDLO C=C[C@@H](O)C[N@@H+]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC001253584641 951973253 /nfs/dbraw/zinc/97/32/53/951973253.db2.gz PFSVOXTXCKBWMN-SSDOTTSWSA-N 1 2 261.247 1.334 20 30 CDEDLO C=C[C@@H](O)C[N@H+]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC001253584641 951973259 /nfs/dbraw/zinc/97/32/59/951973259.db2.gz PFSVOXTXCKBWMN-SSDOTTSWSA-N 1 2 261.247 1.334 20 30 CDEDLO C#CCOc1cccc(NC(=O)N2CCn3c[nH+]cc3C2)c1 ZINC001324587357 953456449 /nfs/dbraw/zinc/45/64/49/953456449.db2.gz JPJFEJKQKKNPKN-UHFFFAOYSA-N 1 2 296.330 1.943 20 30 CDEDLO COCC#CC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001328759038 955458874 /nfs/dbraw/zinc/45/88/74/955458874.db2.gz VVJCVFRCLFTXLL-OAHLLOKOSA-N 1 2 297.358 1.470 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cncc(C)c1 ZINC001492220846 955721149 /nfs/dbraw/zinc/72/11/49/955721149.db2.gz NXNTVSRVNYGWPX-UHFFFAOYSA-N 1 2 267.760 1.804 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cncc(C)c1 ZINC001492220846 955721155 /nfs/dbraw/zinc/72/11/55/955721155.db2.gz NXNTVSRVNYGWPX-UHFFFAOYSA-N 1 2 267.760 1.804 20 30 CDEDLO C=C[C@](C)(O)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001306755749 956331948 /nfs/dbraw/zinc/33/19/48/956331948.db2.gz YJVOTTIKXWFZEO-WBMJQRKESA-N 1 2 285.347 1.987 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(OC)ncn1 ZINC001422805535 956374933 /nfs/dbraw/zinc/37/49/33/956374933.db2.gz CVBPAJZSQBQTBE-SNVBAGLBSA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(OC)ncn1 ZINC001422805535 956374949 /nfs/dbraw/zinc/37/49/49/956374949.db2.gz CVBPAJZSQBQTBE-SNVBAGLBSA-N 1 2 298.774 1.288 20 30 CDEDLO C=CCC1(O)C[NH+](Cc2cn(C)nc2C2CCOCC2)C1 ZINC001308983080 956611914 /nfs/dbraw/zinc/61/19/14/956611914.db2.gz ZSPDALVWRSNKKQ-UHFFFAOYSA-N 1 2 291.395 1.437 20 30 CDEDLO C[N@H+](CCNC(=O)C(C)(C)F)Cc1ccccc1C#N ZINC001366508106 956889825 /nfs/dbraw/zinc/88/98/25/956889825.db2.gz NFLUDKGJDNMIFK-UHFFFAOYSA-N 1 2 277.343 1.854 20 30 CDEDLO C[N@@H+](CCNC(=O)C(C)(C)F)Cc1ccccc1C#N ZINC001366508106 956889841 /nfs/dbraw/zinc/88/98/41/956889841.db2.gz NFLUDKGJDNMIFK-UHFFFAOYSA-N 1 2 277.343 1.854 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)[C@@H](C)c1nc(C)no1 ZINC001366709829 957131124 /nfs/dbraw/zinc/13/11/24/957131124.db2.gz WINOYMVMODQCIT-QWRGUYRKSA-N 1 2 293.371 1.427 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)[C@@H](C)c1nc(C)no1 ZINC001366709829 957131131 /nfs/dbraw/zinc/13/11/31/957131131.db2.gz WINOYMVMODQCIT-QWRGUYRKSA-N 1 2 293.371 1.427 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)no2)C1 ZINC001318337907 958042275 /nfs/dbraw/zinc/04/22/75/958042275.db2.gz JSYILVLAXKFQDU-GFCCVEGCSA-N 1 2 293.367 1.730 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)no2)C1 ZINC001318337907 958042287 /nfs/dbraw/zinc/04/22/87/958042287.db2.gz JSYILVLAXKFQDU-GFCCVEGCSA-N 1 2 293.367 1.730 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1snnc1C ZINC001367517803 958092275 /nfs/dbraw/zinc/09/22/75/958092275.db2.gz HKZUJFCVRAFSFO-UHFFFAOYSA-N 1 2 288.804 1.603 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1snnc1C ZINC001367517803 958092287 /nfs/dbraw/zinc/09/22/87/958092287.db2.gz HKZUJFCVRAFSFO-UHFFFAOYSA-N 1 2 288.804 1.603 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnn(CC)c1 ZINC001367788593 958357701 /nfs/dbraw/zinc/35/77/01/958357701.db2.gz FATJIWTWJOQBSV-LLVKDONJSA-N 1 2 284.791 1.706 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cnn(CC)c1 ZINC001367788593 958357711 /nfs/dbraw/zinc/35/77/11/958357711.db2.gz FATJIWTWJOQBSV-LLVKDONJSA-N 1 2 284.791 1.706 20 30 CDEDLO Cc1nc([C@@H](C)[NH2+]CCOc2cccc(C#N)c2)no1 ZINC001320392160 959144009 /nfs/dbraw/zinc/14/40/09/959144009.db2.gz HJZNAVKNZCGSGE-SNVBAGLBSA-N 1 2 272.308 1.979 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cn2cc(C)cn2)C1 ZINC001369075651 959439821 /nfs/dbraw/zinc/43/98/21/959439821.db2.gz VBWXNYXTJZXMKB-GFCCVEGCSA-N 1 2 296.802 1.381 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1ncc(C)s1 ZINC001437746880 963156910 /nfs/dbraw/zinc/15/69/10/963156910.db2.gz WFBKEZVYLORMDU-NSHDSACASA-N 1 2 294.424 1.939 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1ncc(C)s1 ZINC001437746880 963156912 /nfs/dbraw/zinc/15/69/12/963156912.db2.gz WFBKEZVYLORMDU-NSHDSACASA-N 1 2 294.424 1.939 20 30 CDEDLO C#C[C@@H](C)N(C)c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1C ZINC001341798011 963544965 /nfs/dbraw/zinc/54/49/65/963544965.db2.gz RUULBRBUUMMPDS-OLZOCXBDSA-N 1 2 291.399 1.055 20 30 CDEDLO C#C[C@@H](C)N(C)c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1C ZINC001341798011 963544971 /nfs/dbraw/zinc/54/49/71/963544971.db2.gz RUULBRBUUMMPDS-OLZOCXBDSA-N 1 2 291.399 1.055 20 30 CDEDLO C=CC[NH2+]C[C@@H]1CN(C(=O)C(F)C(F)(F)F)CCCO1 ZINC001200555177 968459757 /nfs/dbraw/zinc/45/97/57/968459757.db2.gz PCKRATMKXRQNEB-NXEZZACHSA-N 1 2 298.280 1.280 20 30 CDEDLO C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)CCCO1 ZINC001200555177 968459759 /nfs/dbraw/zinc/45/97/59/968459759.db2.gz PCKRATMKXRQNEB-NXEZZACHSA-N 1 2 298.280 1.280 20 30 CDEDLO C=CCC1(NC(=O)CCc2[nH+]ccn2C)CCOCC1 ZINC001528600667 968886107 /nfs/dbraw/zinc/88/61/07/968886107.db2.gz FRQVICPPDZBXMQ-UHFFFAOYSA-N 1 2 277.368 1.594 20 30 CDEDLO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC[N@@H+]2C)n1CCOC ZINC001355709286 969250713 /nfs/dbraw/zinc/25/07/13/969250713.db2.gz QXPPPUSYSPJKSL-OLZOCXBDSA-N 1 2 291.399 1.149 20 30 CDEDLO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC[N@H+]2C)n1CCOC ZINC001355709286 969250722 /nfs/dbraw/zinc/25/07/22/969250722.db2.gz QXPPPUSYSPJKSL-OLZOCXBDSA-N 1 2 291.399 1.149 20 30 CDEDLO C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccn(C)n1 ZINC001414005492 969821328 /nfs/dbraw/zinc/82/13/28/969821328.db2.gz FNVIBXPYAJVOKP-LBPRGKRZSA-N 1 2 297.362 1.259 20 30 CDEDLO C=C1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC001515458486 969895383 /nfs/dbraw/zinc/89/53/83/969895383.db2.gz LANZEFHKZGOHBG-AWEZNQCLSA-N 1 2 288.395 1.842 20 30 CDEDLO C=C1CCN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC001515458486 969895387 /nfs/dbraw/zinc/89/53/87/969895387.db2.gz LANZEFHKZGOHBG-AWEZNQCLSA-N 1 2 288.395 1.842 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)c1csc(C#N)c1 ZINC001466826528 970003841 /nfs/dbraw/zinc/00/38/41/970003841.db2.gz AKSIUIHEDHQJPH-UHFFFAOYSA-N 1 2 260.322 1.326 20 30 CDEDLO C#CCCNC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001521332688 970285017 /nfs/dbraw/zinc/28/50/17/970285017.db2.gz GQZTZFXMMYSUAN-UHFFFAOYSA-N 1 2 260.341 1.332 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cncnc1C ZINC001418534645 973941379 /nfs/dbraw/zinc/94/13/79/973941379.db2.gz YPPBMQXSOCRFND-UHFFFAOYSA-N 1 2 282.775 1.589 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cncnc1C ZINC001418534645 973941391 /nfs/dbraw/zinc/94/13/91/973941391.db2.gz YPPBMQXSOCRFND-UHFFFAOYSA-N 1 2 282.775 1.589 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)COCC1CC1 ZINC001375009400 974224147 /nfs/dbraw/zinc/22/41/47/974224147.db2.gz NLTNRQQBPFNRDA-LLVKDONJSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)COCC1CC1 ZINC001375009400 974224155 /nfs/dbraw/zinc/22/41/55/974224155.db2.gz NLTNRQQBPFNRDA-LLVKDONJSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1n[nH]cc1C ZINC001375050458 974241870 /nfs/dbraw/zinc/24/18/70/974241870.db2.gz TYBJMEREGACKJK-SNVBAGLBSA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1n[nH]cc1C ZINC001375050458 974241876 /nfs/dbraw/zinc/24/18/76/974241876.db2.gz TYBJMEREGACKJK-SNVBAGLBSA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccncc1F ZINC001377129300 974895626 /nfs/dbraw/zinc/89/56/26/974895626.db2.gz QCVWZPHLIZGXIC-UHFFFAOYSA-N 1 2 271.723 1.635 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccncc1F ZINC001377129300 974895631 /nfs/dbraw/zinc/89/56/31/974895631.db2.gz QCVWZPHLIZGXIC-UHFFFAOYSA-N 1 2 271.723 1.635 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1cnn(C)c1C ZINC001505933678 975051577 /nfs/dbraw/zinc/05/15/77/975051577.db2.gz OYOGVIMBKFIJAZ-NSHDSACASA-N 1 2 298.818 1.460 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1cnn(C)c1C ZINC001505933678 975051582 /nfs/dbraw/zinc/05/15/82/975051582.db2.gz OYOGVIMBKFIJAZ-NSHDSACASA-N 1 2 298.818 1.460 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccns1 ZINC001403121919 976742530 /nfs/dbraw/zinc/74/25/30/976742530.db2.gz DESPXJDTZIOCHF-SECBINFHSA-N 1 2 273.789 1.946 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccns1 ZINC001403121919 976742537 /nfs/dbraw/zinc/74/25/37/976742537.db2.gz DESPXJDTZIOCHF-SECBINFHSA-N 1 2 273.789 1.946 20 30 CDEDLO C=C(Cl)CN(C)CCN(C)C(=O)CCCn1cc[nH+]c1 ZINC001392335060 977412461 /nfs/dbraw/zinc/41/24/61/977412461.db2.gz OAHZMKMSEQNZPV-UHFFFAOYSA-N 1 2 298.818 1.806 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H](O)C(C)C)C1 ZINC001394236234 978112645 /nfs/dbraw/zinc/11/26/45/978112645.db2.gz VWHJROPNYMXUBR-ZYHUDNBSSA-N 1 2 274.792 1.192 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001132568650 1163376090 /nfs/dbraw/zinc/37/60/90/1163376090.db2.gz BKWJERXWTDSSHR-WDEREUQCSA-N 1 2 292.383 1.611 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+]Cc1csnn1 ZINC001133154341 1163586233 /nfs/dbraw/zinc/58/62/33/1163586233.db2.gz GFDPODAJZMCSSG-UHFFFAOYSA-N 1 2 254.359 1.100 20 30 CDEDLO N#Cc1cc(NC(=O)[C@@H]2COCC[NH2+]2)ccc1Cl ZINC000088358511 1173920021 /nfs/dbraw/zinc/92/00/21/1173920021.db2.gz MRSHLPWZQUPGED-NSHDSACASA-N 1 2 265.700 1.139 20 30 CDEDLO N#Cc1cc(O)cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000589207957 342500256 /nfs/dbraw/zinc/50/02/56/342500256.db2.gz GEBUJBFNYIKIJT-GFCCVEGCSA-N 1 2 282.303 1.205 20 30 CDEDLO C[C@@H](O)C[C@H]1COCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000589207416 342500314 /nfs/dbraw/zinc/50/03/14/342500314.db2.gz WJLJONNKHPAYRJ-MNOVXSKESA-N 1 2 266.366 1.591 20 30 CDEDLO C[C@@H](O)C[C@H]1COCC[N@H+]1Cc1ccc(C#N)s1 ZINC000589207416 342500315 /nfs/dbraw/zinc/50/03/15/342500315.db2.gz WJLJONNKHPAYRJ-MNOVXSKESA-N 1 2 266.366 1.591 20 30 CDEDLO CCc1noc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000590005109 342518967 /nfs/dbraw/zinc/51/89/67/342518967.db2.gz OXQTXAFQKKKESO-LBPRGKRZSA-N 1 2 299.334 1.552 20 30 CDEDLO CCc1noc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000590005109 342518968 /nfs/dbraw/zinc/51/89/68/342518968.db2.gz OXQTXAFQKKKESO-LBPRGKRZSA-N 1 2 299.334 1.552 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000611537615 346816018 /nfs/dbraw/zinc/81/60/18/346816018.db2.gz CIZJZTTVZIZFPL-SWLSCSKDSA-N 1 2 282.347 1.945 20 30 CDEDLO CCC[C@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000564989229 365553227 /nfs/dbraw/zinc/55/32/27/365553227.db2.gz VVINDRXTRYGWIS-AWEZNQCLSA-N 1 2 285.351 1.602 20 30 CDEDLO CCC[C@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000564989229 365553233 /nfs/dbraw/zinc/55/32/33/365553233.db2.gz VVINDRXTRYGWIS-AWEZNQCLSA-N 1 2 285.351 1.602 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000590630931 342580464 /nfs/dbraw/zinc/58/04/64/342580464.db2.gz NLZSZUISCUWKJE-BBRMVZONSA-N 1 2 291.395 1.297 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000590630931 342580465 /nfs/dbraw/zinc/58/04/65/342580465.db2.gz NLZSZUISCUWKJE-BBRMVZONSA-N 1 2 291.395 1.297 20 30 CDEDLO N#Cc1cccc(OCC[NH+]2CCN(C(=O)C3CC3)CC2)c1 ZINC000076457007 342078592 /nfs/dbraw/zinc/07/85/92/342078592.db2.gz DTKQPXSDVPUSHE-UHFFFAOYSA-N 1 2 299.374 1.491 20 30 CDEDLO CC[C@@](C)(C#N)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000608853532 342078597 /nfs/dbraw/zinc/07/85/97/342078597.db2.gz QCYMRKATLJOSPV-AWEZNQCLSA-N 1 2 256.309 1.685 20 30 CDEDLO Cc1ccc(/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000493119637 342597954 /nfs/dbraw/zinc/59/79/54/342597954.db2.gz OOCIROBJYWFCBP-ZBTGYSDGSA-N 1 2 271.364 1.968 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000590973352 342612571 /nfs/dbraw/zinc/61/25/71/342612571.db2.gz WSNLIVZUYBXMON-MNOVXSKESA-N 1 2 271.357 1.624 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000590973352 342612572 /nfs/dbraw/zinc/61/25/72/342612572.db2.gz WSNLIVZUYBXMON-MNOVXSKESA-N 1 2 271.357 1.624 20 30 CDEDLO CC(C)(C#N)CNC(=O)NCCCCn1cc[nH+]c1 ZINC000611623522 346832446 /nfs/dbraw/zinc/83/24/46/346832446.db2.gz KWTCNSYEOYNZGK-UHFFFAOYSA-N 1 2 263.345 1.512 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)CC2(CCCC2)O1 ZINC000592193980 342674889 /nfs/dbraw/zinc/67/48/89/342674889.db2.gz NRLBCPBJTAODKG-ZDUSSCGKSA-N 1 2 291.395 1.582 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)CC2(CCCC2)O1 ZINC000592193980 342674890 /nfs/dbraw/zinc/67/48/90/342674890.db2.gz NRLBCPBJTAODKG-ZDUSSCGKSA-N 1 2 291.395 1.582 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000592148597 342668422 /nfs/dbraw/zinc/66/84/22/342668422.db2.gz XIUDFLVLBKJHGW-HNNXBMFYSA-N 1 2 292.310 1.543 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000592148597 342668423 /nfs/dbraw/zinc/66/84/23/342668423.db2.gz XIUDFLVLBKJHGW-HNNXBMFYSA-N 1 2 292.310 1.543 20 30 CDEDLO Cc1cc(C)cc(NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592149718 342668548 /nfs/dbraw/zinc/66/85/48/342668548.db2.gz VDUJGJWCFWNRPK-MRXNPFEDSA-N 1 2 287.363 1.592 20 30 CDEDLO Cc1cc(C)cc(NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592149718 342668549 /nfs/dbraw/zinc/66/85/49/342668549.db2.gz VDUJGJWCFWNRPK-MRXNPFEDSA-N 1 2 287.363 1.592 20 30 CDEDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149958 342668711 /nfs/dbraw/zinc/66/87/11/342668711.db2.gz AFAKQFYEBUZXQH-YCPHGPKFSA-N 1 2 293.411 1.374 20 30 CDEDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149958 342668712 /nfs/dbraw/zinc/66/87/12/342668712.db2.gz AFAKQFYEBUZXQH-YCPHGPKFSA-N 1 2 293.411 1.374 20 30 CDEDLO COC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151265 342668965 /nfs/dbraw/zinc/66/89/65/342668965.db2.gz LBWPTOHWMWYBQY-UKRRQHHQSA-N 1 2 274.320 1.251 20 30 CDEDLO COC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592151265 342668966 /nfs/dbraw/zinc/66/89/66/342668966.db2.gz LBWPTOHWMWYBQY-UKRRQHHQSA-N 1 2 274.320 1.251 20 30 CDEDLO N#CCCC1CC[NH+](CC(=O)Nc2nncs2)CC1 ZINC000592135563 342672324 /nfs/dbraw/zinc/67/23/24/342672324.db2.gz KWGMFDRKVAJMDO-UHFFFAOYSA-N 1 2 279.369 1.492 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000339749891 361870922 /nfs/dbraw/zinc/87/09/22/361870922.db2.gz JJNZRVOFXUSTMP-AWEZNQCLSA-N 1 2 272.348 1.061 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000339749891 361870929 /nfs/dbraw/zinc/87/09/29/361870929.db2.gz JJNZRVOFXUSTMP-AWEZNQCLSA-N 1 2 272.348 1.061 20 30 CDEDLO CC[C@@H]1COC(C)(C)C[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000593058008 342760298 /nfs/dbraw/zinc/76/02/98/342760298.db2.gz ZSFLMRAEBJOSEC-CZUORRHYSA-N 1 2 293.411 1.684 20 30 CDEDLO CC[C@@H]1COC(C)(C)C[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000593058008 342760300 /nfs/dbraw/zinc/76/03/00/342760300.db2.gz ZSFLMRAEBJOSEC-CZUORRHYSA-N 1 2 293.411 1.684 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@H](C)CO1 ZINC000593061095 342761066 /nfs/dbraw/zinc/76/10/66/342761066.db2.gz HOSOIBUTFPTIBB-MGPQQGTHSA-N 1 2 281.400 1.494 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@H](C)CO1 ZINC000593061095 342761067 /nfs/dbraw/zinc/76/10/67/342761067.db2.gz HOSOIBUTFPTIBB-MGPQQGTHSA-N 1 2 281.400 1.494 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc2ccncc2c1 ZINC000593153588 342774179 /nfs/dbraw/zinc/77/41/79/342774179.db2.gz VRCFEECNEAENML-INIZCTEOSA-N 1 2 282.347 1.808 20 30 CDEDLO C[C@@H]1CCCc2ncc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)n21 ZINC000593153527 342774210 /nfs/dbraw/zinc/77/42/10/342774210.db2.gz SVWHRXHVOPMOIU-ABAIWWIYSA-N 1 2 289.383 1.354 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2ccccc2c(=O)o1 ZINC000593154973 342774525 /nfs/dbraw/zinc/77/45/25/342774525.db2.gz SIUDLJHNUKSVDL-INIZCTEOSA-N 1 2 299.330 1.367 20 30 CDEDLO CO[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329710187 361925020 /nfs/dbraw/zinc/92/50/20/361925020.db2.gz MAIPWJGDPXPVBE-GHMZBOCLSA-N 1 2 278.356 1.292 20 30 CDEDLO CO[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329710187 361925026 /nfs/dbraw/zinc/92/50/26/361925026.db2.gz MAIPWJGDPXPVBE-GHMZBOCLSA-N 1 2 278.356 1.292 20 30 CDEDLO C=CCN1CC[C@@H](N(C)c2cc(CC)[nH+]c(C)n2)C1=O ZINC000281776800 539091503 /nfs/dbraw/zinc/09/15/03/539091503.db2.gz GZDNCBZKEBRJLY-CYBMUJFWSA-N 1 2 274.368 1.571 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(C#N)cc2F)nn1 ZINC000594649404 342931744 /nfs/dbraw/zinc/93/17/44/342931744.db2.gz JHEDJNFVWAYIOQ-UHFFFAOYSA-N 1 2 283.310 1.450 20 30 CDEDLO N#CCCn1[nH]c2c(c1=O)C[N@H+](Cc1ccccc1)CC2 ZINC000594659581 342936611 /nfs/dbraw/zinc/93/66/11/342936611.db2.gz FYVUCLIPEBMIQU-CQSZACIVSA-N 1 2 282.347 1.620 20 30 CDEDLO N#CCCn1[nH]c2c(c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000594659581 342936613 /nfs/dbraw/zinc/93/66/13/342936613.db2.gz FYVUCLIPEBMIQU-CQSZACIVSA-N 1 2 282.347 1.620 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000220918987 342283920 /nfs/dbraw/zinc/28/39/20/342283920.db2.gz CKKPZOCSTPEIEP-TZMCWYRMSA-N 1 2 273.336 1.532 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000220918987 342283921 /nfs/dbraw/zinc/28/39/21/342283921.db2.gz CKKPZOCSTPEIEP-TZMCWYRMSA-N 1 2 273.336 1.532 20 30 CDEDLO C#CC[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074739008 342303598 /nfs/dbraw/zinc/30/35/98/342303598.db2.gz ODKQPBISWLPWQJ-UHFFFAOYSA-N 1 2 260.297 1.053 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)NCC1(C#N)CC1 ZINC000619534456 349794451 /nfs/dbraw/zinc/79/44/51/349794451.db2.gz JSALNUGAJODXEK-UHFFFAOYSA-N 1 2 261.329 1.218 20 30 CDEDLO C[C@H](c1nnnn1C1CC1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595623201 343112289 /nfs/dbraw/zinc/11/22/89/343112289.db2.gz JQYFWSWWROWPJY-GHMZBOCLSA-N 1 2 260.345 1.695 20 30 CDEDLO C[C@H](c1nnnn1C1CC1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595623201 343112290 /nfs/dbraw/zinc/11/22/90/343112290.db2.gz JQYFWSWWROWPJY-GHMZBOCLSA-N 1 2 260.345 1.695 20 30 CDEDLO CN1CC[N@H+](Cc2ccc(C#N)c(F)c2)CCC1=O ZINC000595775022 343148598 /nfs/dbraw/zinc/14/85/98/343148598.db2.gz ZADOVZAACGNGAZ-UHFFFAOYSA-N 1 2 261.300 1.361 20 30 CDEDLO CN1CC[N@@H+](Cc2ccc(C#N)c(F)c2)CCC1=O ZINC000595775022 343148600 /nfs/dbraw/zinc/14/86/00/343148600.db2.gz ZADOVZAACGNGAZ-UHFFFAOYSA-N 1 2 261.300 1.361 20 30 CDEDLO N#Cc1cnnc(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000596071327 343225503 /nfs/dbraw/zinc/22/55/03/343225503.db2.gz YICHKRQTISOLIO-UHFFFAOYSA-N 1 2 280.335 1.899 20 30 CDEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@](C)(C#N)C2CCCCC2)C1 ZINC000081408459 342368577 /nfs/dbraw/zinc/36/85/77/342368577.db2.gz IWBULNUZVOMJRO-HIFRSBDPSA-N 1 2 279.384 1.296 20 30 CDEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@@](C)(C#N)C2CCCCC2)C1 ZINC000081408459 342368578 /nfs/dbraw/zinc/36/85/78/342368578.db2.gz IWBULNUZVOMJRO-HIFRSBDPSA-N 1 2 279.384 1.296 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCc2n[nH]cc2C1 ZINC000091078083 342399863 /nfs/dbraw/zinc/39/98/63/342399863.db2.gz VXIVXTWLEQIAMD-GFCCVEGCSA-N 1 2 274.368 1.357 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCc2n[nH]cc2C1 ZINC000091078083 342399864 /nfs/dbraw/zinc/39/98/64/342399864.db2.gz VXIVXTWLEQIAMD-GFCCVEGCSA-N 1 2 274.368 1.357 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@H](C)CO1 ZINC000596637324 343363284 /nfs/dbraw/zinc/36/32/84/343363284.db2.gz TWGBMYLJJCFTHW-YIYPIFLZSA-N 1 2 294.399 1.087 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@H](C)CO1 ZINC000596637324 343363285 /nfs/dbraw/zinc/36/32/85/343363285.db2.gz TWGBMYLJJCFTHW-YIYPIFLZSA-N 1 2 294.399 1.087 20 30 CDEDLO C#CCC[NH+]1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000091480296 342404406 /nfs/dbraw/zinc/40/44/06/342404406.db2.gz JKUOSSWHQFTDQP-UHFFFAOYSA-N 1 2 275.302 1.982 20 30 CDEDLO Cc1cc(NCC(C)(C)[C@@]2(O)CCCOC2)c(C#N)c[nH+]1 ZINC000596535482 343344891 /nfs/dbraw/zinc/34/48/91/343344891.db2.gz RRZFHEVXRRUFSX-MRXNPFEDSA-N 1 2 289.379 1.663 20 30 CDEDLO COC(=O)c1ccc(N[C@@H](C)c2[nH+]ccn2C)c(C#N)n1 ZINC000596542177 343346794 /nfs/dbraw/zinc/34/67/94/343346794.db2.gz JYAIBUIPLTZGJT-VIFPVBQESA-N 1 2 285.307 1.646 20 30 CDEDLO Cc1ccc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)cc1C#N ZINC000599378456 344030657 /nfs/dbraw/zinc/03/06/57/344030657.db2.gz NEXRFBIBZFDUTL-LBPRGKRZSA-N 1 2 257.337 1.529 20 30 CDEDLO Cc1ccc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)cc1C#N ZINC000599378456 344030658 /nfs/dbraw/zinc/03/06/58/344030658.db2.gz NEXRFBIBZFDUTL-LBPRGKRZSA-N 1 2 257.337 1.529 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1cc(C)ccc1F ZINC000444732197 362200484 /nfs/dbraw/zinc/20/04/84/362200484.db2.gz JSBWFRHJAXEPKD-UHFFFAOYSA-N 1 2 293.342 1.578 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1cc(C)ccc1F ZINC000444732197 362200490 /nfs/dbraw/zinc/20/04/90/362200490.db2.gz JSBWFRHJAXEPKD-UHFFFAOYSA-N 1 2 293.342 1.578 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)CC2(C#N)CCCCC2)CCO1 ZINC000597052720 343442030 /nfs/dbraw/zinc/44/20/30/343442030.db2.gz LFTPZQPMIJLUMG-CQSZACIVSA-N 1 2 293.411 1.687 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)CC2(C#N)CCCCC2)CCO1 ZINC000597052720 343442031 /nfs/dbraw/zinc/44/20/31/343442031.db2.gz LFTPZQPMIJLUMG-CQSZACIVSA-N 1 2 293.411 1.687 20 30 CDEDLO CNC(=O)c1ccc(C[N@@H+](CCC#N)CCOC)cc1 ZINC000072689966 349812307 /nfs/dbraw/zinc/81/23/07/349812307.db2.gz PARAOEVCQNYJGX-UHFFFAOYSA-N 1 2 275.352 1.408 20 30 CDEDLO CNC(=O)c1ccc(C[N@H+](CCC#N)CCOC)cc1 ZINC000072689966 349812309 /nfs/dbraw/zinc/81/23/09/349812309.db2.gz PARAOEVCQNYJGX-UHFFFAOYSA-N 1 2 275.352 1.408 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000598589621 343836753 /nfs/dbraw/zinc/83/67/53/343836753.db2.gz UEYBPIQSJGGVJC-VXGBXAGGSA-N 1 2 295.408 1.817 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000598589621 343836755 /nfs/dbraw/zinc/83/67/55/343836755.db2.gz UEYBPIQSJGGVJC-VXGBXAGGSA-N 1 2 295.408 1.817 20 30 CDEDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000295083980 199336612 /nfs/dbraw/zinc/33/66/12/199336612.db2.gz IOYSTEJOSMAGCV-LBPRGKRZSA-N 1 2 263.297 1.424 20 30 CDEDLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000295083980 199336614 /nfs/dbraw/zinc/33/66/14/199336614.db2.gz IOYSTEJOSMAGCV-LBPRGKRZSA-N 1 2 263.297 1.424 20 30 CDEDLO Cc1cc(NC[C@H]2CCCN2CC(F)F)c(C#N)c[nH+]1 ZINC000599134109 343965622 /nfs/dbraw/zinc/96/56/22/343965622.db2.gz PGVJNHSXYVFXRL-GFCCVEGCSA-N 1 2 280.322 1.825 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1Cc2ccc(O)cc2C1 ZINC000599538765 344087192 /nfs/dbraw/zinc/08/71/92/344087192.db2.gz RQSYJYBKHGJOJZ-NSHDSACASA-N 1 2 273.336 1.468 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1Cc2ccc(O)cc2C1 ZINC000599538765 344087194 /nfs/dbraw/zinc/08/71/94/344087194.db2.gz RQSYJYBKHGJOJZ-NSHDSACASA-N 1 2 273.336 1.468 20 30 CDEDLO C[C@H](C#N)Cn1[nH]c2c(c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000601935246 344286216 /nfs/dbraw/zinc/28/62/16/344286216.db2.gz RKUQEQCDVLFLCR-UKRRQHHQSA-N 1 2 296.374 1.866 20 30 CDEDLO C[C@H](C#N)Cn1[nH]c2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000601935246 344286218 /nfs/dbraw/zinc/28/62/18/344286218.db2.gz RKUQEQCDVLFLCR-UKRRQHHQSA-N 1 2 296.374 1.866 20 30 CDEDLO C[C@H](C#N)CN(C)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000602079147 344327676 /nfs/dbraw/zinc/32/76/76/344327676.db2.gz LTXMHIWVRHSSRU-LLVKDONJSA-N 1 2 284.319 1.810 20 30 CDEDLO Cc1cc(=NC(=O)C[N@@H+](C)CC(C)(C)C)[nH]n1CCC#N ZINC000602133063 344357462 /nfs/dbraw/zinc/35/74/62/344357462.db2.gz LMJLDNQGQLWPTA-UHFFFAOYSA-N 1 2 291.399 1.444 20 30 CDEDLO Cc1cc(=NC(=O)C[N@H+](C)CC(C)(C)C)[nH]n1CCC#N ZINC000602133063 344357463 /nfs/dbraw/zinc/35/74/63/344357463.db2.gz LMJLDNQGQLWPTA-UHFFFAOYSA-N 1 2 291.399 1.444 20 30 CDEDLO CCOC(=O)[C@@H]([NH2+]CC1(CC#N)CC1)[C@H]1CCCOC1 ZINC000602804400 344592983 /nfs/dbraw/zinc/59/29/83/344592983.db2.gz FGZNLWWYGATSCL-STQMWFEESA-N 1 2 280.368 1.628 20 30 CDEDLO N#CCC1(C[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)CC1 ZINC000602784410 344598689 /nfs/dbraw/zinc/59/86/89/344598689.db2.gz PEJAYYLSTAYVEL-UHFFFAOYSA-N 1 2 299.374 1.844 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1ccc2c(c1)OCO2 ZINC000602860330 344616263 /nfs/dbraw/zinc/61/62/63/344616263.db2.gz AZIYQDYGBILXGZ-VHSXEESVSA-N 1 2 275.308 1.634 20 30 CDEDLO COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N)c1 ZINC000602860240 344616287 /nfs/dbraw/zinc/61/62/87/344616287.db2.gz AKAZOHCKJAPRPV-GHMZBOCLSA-N 1 2 291.351 1.923 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(C)CCOc1ccccc1F ZINC000602863116 344618027 /nfs/dbraw/zinc/61/80/27/344618027.db2.gz NYEHCXAOJMGWAC-LBPRGKRZSA-N 1 2 293.342 1.555 20 30 CDEDLO N#CCC1(C[N@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)CC1 ZINC000602840937 344621627 /nfs/dbraw/zinc/62/16/27/344621627.db2.gz PJMVURYCPAMFNI-AWEZNQCLSA-N 1 2 282.409 1.581 20 30 CDEDLO N#CCC1(C[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)CC1 ZINC000602840937 344621629 /nfs/dbraw/zinc/62/16/29/344621629.db2.gz PJMVURYCPAMFNI-AWEZNQCLSA-N 1 2 282.409 1.581 20 30 CDEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000612167723 347065975 /nfs/dbraw/zinc/06/59/75/347065975.db2.gz VPZSMTFPJAEOSJ-HNNXBMFYSA-N 1 2 257.337 1.911 20 30 CDEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000612167723 347065977 /nfs/dbraw/zinc/06/59/77/347065977.db2.gz VPZSMTFPJAEOSJ-HNNXBMFYSA-N 1 2 257.337 1.911 20 30 CDEDLO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCS1(=O)=O ZINC000330013995 530056813 /nfs/dbraw/zinc/05/68/13/530056813.db2.gz MPKXJHMCQIFJOC-MNOVXSKESA-N 1 2 274.386 1.004 20 30 CDEDLO C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCS1(=O)=O ZINC000330013995 530056814 /nfs/dbraw/zinc/05/68/14/530056814.db2.gz MPKXJHMCQIFJOC-MNOVXSKESA-N 1 2 274.386 1.004 20 30 CDEDLO C[N@@H+]1CCN(S(=O)(=O)CCCCC#N)CC1(C)C ZINC000603373705 344786894 /nfs/dbraw/zinc/78/68/94/344786894.db2.gz DWNAKACRNVDSJK-UHFFFAOYSA-N 1 2 273.402 1.036 20 30 CDEDLO C[N@H+]1CCN(S(=O)(=O)CCCCC#N)CC1(C)C ZINC000603373705 344786897 /nfs/dbraw/zinc/78/68/97/344786897.db2.gz DWNAKACRNVDSJK-UHFFFAOYSA-N 1 2 273.402 1.036 20 30 CDEDLO CCCNC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609486230 344915914 /nfs/dbraw/zinc/91/59/14/344915914.db2.gz GICKQPHOGRDKDC-UONOGXRCSA-N 1 2 280.416 1.067 20 30 CDEDLO CO/N=C(/C(=O)N(C)Cc1[nH+]ccn1C)c1ccco1 ZINC000073352801 345441627 /nfs/dbraw/zinc/44/16/27/345441627.db2.gz HRITXITVBMMVMH-NTCAYCPXSA-N 1 2 276.296 1.022 20 30 CDEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601256540 349934302 /nfs/dbraw/zinc/93/43/02/349934302.db2.gz DQLHKTVMYFBGTI-UHFFFAOYSA-N 1 2 295.346 1.376 20 30 CDEDLO C=CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H](C)COC ZINC000617582748 345868043 /nfs/dbraw/zinc/86/80/43/345868043.db2.gz UIMBSYUOIGEDFU-SNVBAGLBSA-N 1 2 251.330 1.310 20 30 CDEDLO CC(C)(C#N)C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000619872910 349941758 /nfs/dbraw/zinc/94/17/58/349941758.db2.gz PALHWTJAUDVDMS-UHFFFAOYSA-N 1 2 291.355 1.221 20 30 CDEDLO CCOCC[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000610160980 346214834 /nfs/dbraw/zinc/21/48/34/346214834.db2.gz DTZMELMQXPDGKQ-UHFFFAOYSA-N 1 2 290.367 1.582 20 30 CDEDLO CCCC[C@@H](C(=O)OC)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000610391047 346270471 /nfs/dbraw/zinc/27/04/71/346270471.db2.gz MLCSFMUPWXVJRK-GJZGRUSLSA-N 1 2 295.427 1.884 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2cnn(CC)c2)nn1 ZINC000653751386 412527461 /nfs/dbraw/zinc/52/74/61/412527461.db2.gz VYXGQEJTQOJJBM-LBPRGKRZSA-N 1 2 274.372 1.921 20 30 CDEDLO N#Cc1cncc(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC000584587645 346375453 /nfs/dbraw/zinc/37/54/53/346375453.db2.gz SSURSBDDYKSEMJ-UHFFFAOYSA-N 1 2 254.297 1.386 20 30 CDEDLO N#CCC[N@@H+](CC[C@H]1CCS(=O)(=O)C1)CC1CC1 ZINC000611171325 346629296 /nfs/dbraw/zinc/62/92/96/346629296.db2.gz XCDZLRXLQPBQCF-ZDUSSCGKSA-N 1 2 270.398 1.437 20 30 CDEDLO N#CCC[N@H+](CC[C@H]1CCS(=O)(=O)C1)CC1CC1 ZINC000611171325 346629300 /nfs/dbraw/zinc/62/93/00/346629300.db2.gz XCDZLRXLQPBQCF-ZDUSSCGKSA-N 1 2 270.398 1.437 20 30 CDEDLO CCOC[C@@H](C(=O)OC)[N@H+](C)CCC(C)(C)C#N ZINC000611462787 346792609 /nfs/dbraw/zinc/79/26/09/346792609.db2.gz XDQKSLBPKZLWBZ-NSHDSACASA-N 1 2 256.346 1.436 20 30 CDEDLO CCOC[C@@H](C(=O)OC)[N@@H+](C)CCC(C)(C)C#N ZINC000611462787 346792611 /nfs/dbraw/zinc/79/26/11/346792611.db2.gz XDQKSLBPKZLWBZ-NSHDSACASA-N 1 2 256.346 1.436 20 30 CDEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC3(C#N)CCC3)[C@@H]2C1 ZINC000450618770 362839305 /nfs/dbraw/zinc/83/93/05/362839305.db2.gz IJYYHPAMFSZHBI-MGPQQGTHSA-N 1 2 264.369 1.949 20 30 CDEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC3(C#N)CCC3)[C@@H]2C1 ZINC000450618770 362839311 /nfs/dbraw/zinc/83/93/11/362839311.db2.gz IJYYHPAMFSZHBI-MGPQQGTHSA-N 1 2 264.369 1.949 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000069339723 347572487 /nfs/dbraw/zinc/57/24/87/347572487.db2.gz PTLDYBVIXJFDPL-CYBMUJFWSA-N 1 2 287.363 1.974 20 30 CDEDLO N#Cc1c[nH][nH]c1=NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000601637938 349982982 /nfs/dbraw/zinc/98/29/82/349982982.db2.gz CFJMUCFDCALRGK-GFCCVEGCSA-N 1 2 273.340 1.049 20 30 CDEDLO CCc1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)c(OC)c1 ZINC000414148465 362924369 /nfs/dbraw/zinc/92/43/69/362924369.db2.gz NEANXYIGKCQAFX-AWEZNQCLSA-N 1 2 292.379 1.843 20 30 CDEDLO CCc1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c(OC)c1 ZINC000414148465 362924373 /nfs/dbraw/zinc/92/43/73/362924373.db2.gz NEANXYIGKCQAFX-AWEZNQCLSA-N 1 2 292.379 1.843 20 30 CDEDLO CC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc1F ZINC000414149839 362924653 /nfs/dbraw/zinc/92/46/53/362924653.db2.gz VEIBFJDYSABCOJ-LBPRGKRZSA-N 1 2 294.326 1.613 20 30 CDEDLO CC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc1F ZINC000414149839 362924658 /nfs/dbraw/zinc/92/46/58/362924658.db2.gz VEIBFJDYSABCOJ-LBPRGKRZSA-N 1 2 294.326 1.613 20 30 CDEDLO CCCc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)no1 ZINC000574457445 348479177 /nfs/dbraw/zinc/47/91/77/348479177.db2.gz PBRSCFVYXQAFHI-ZDUSSCGKSA-N 1 2 264.329 1.201 20 30 CDEDLO CC[N@@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)C[C@H]1C ZINC000615430314 348507400 /nfs/dbraw/zinc/50/74/00/348507400.db2.gz MNJFCJWPRGFATG-LLVKDONJSA-N 1 2 273.336 1.430 20 30 CDEDLO CC[N@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)C[C@H]1C ZINC000615430314 348507402 /nfs/dbraw/zinc/50/74/02/348507402.db2.gz MNJFCJWPRGFATG-LLVKDONJSA-N 1 2 273.336 1.430 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)COc2ccc(C)cc2)CC1 ZINC000020319683 348532995 /nfs/dbraw/zinc/53/29/95/348532995.db2.gz UMRVJPTZPYOEDV-UHFFFAOYSA-N 1 2 274.364 1.704 20 30 CDEDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)NC1(C#N)CCC1 ZINC000615678951 348645945 /nfs/dbraw/zinc/64/59/45/348645945.db2.gz REJUOVAQKTYGFJ-GFCCVEGCSA-N 1 2 297.424 1.003 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000042249926 348721037 /nfs/dbraw/zinc/72/10/37/348721037.db2.gz FUATYKXQBBKYIO-CYBMUJFWSA-N 1 2 289.354 1.086 20 30 CDEDLO C#CCN(CC)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000056556420 348819458 /nfs/dbraw/zinc/81/94/58/348819458.db2.gz SOGNMZMDLAMHOF-UHFFFAOYSA-N 1 2 256.309 1.499 20 30 CDEDLO CCOCCCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000066469305 348986478 /nfs/dbraw/zinc/98/64/78/348986478.db2.gz YTPAUZAHXGKGLD-NWDGAFQWSA-N 1 2 255.362 1.009 20 30 CDEDLO CCOCCCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000066469305 348986480 /nfs/dbraw/zinc/98/64/80/348986480.db2.gz YTPAUZAHXGKGLD-NWDGAFQWSA-N 1 2 255.362 1.009 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1c(F)cccc1F ZINC000576468399 335207900 /nfs/dbraw/zinc/20/79/00/335207900.db2.gz FVUQHUNSLCGPMC-AWEZNQCLSA-N 1 2 281.306 1.467 20 30 CDEDLO CC(C)[C@H](C)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000067922699 349041707 /nfs/dbraw/zinc/04/17/07/349041707.db2.gz ZIBSZMAHNSIPJY-OAHLLOKOSA-N 1 2 295.427 1.743 20 30 CDEDLO C[C@@](O)(C[N@@H+]1CCC[C@@](C)(C#N)C1)C(F)(F)F ZINC000619621177 349274298 /nfs/dbraw/zinc/27/42/98/349274298.db2.gz ALWAHWCJAHUNTL-VHSXEESVSA-N 1 2 250.264 1.925 20 30 CDEDLO C[C@@](O)(C[N@H+]1CCC[C@@](C)(C#N)C1)C(F)(F)F ZINC000619621177 349274301 /nfs/dbraw/zinc/27/43/01/349274301.db2.gz ALWAHWCJAHUNTL-VHSXEESVSA-N 1 2 250.264 1.925 20 30 CDEDLO N#CCCCOc1cccnc1NC(=O)CCn1cc[nH+]c1 ZINC000263813500 362945766 /nfs/dbraw/zinc/94/57/66/362945766.db2.gz VEQCQSHOSFSSOD-UHFFFAOYSA-N 1 2 299.334 1.989 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)n1 ZINC000602474387 350113020 /nfs/dbraw/zinc/11/30/20/350113020.db2.gz VLRQPPMYVVJTBB-LLVKDONJSA-N 1 2 271.242 1.452 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)n1 ZINC000602474387 350113022 /nfs/dbraw/zinc/11/30/22/350113022.db2.gz VLRQPPMYVVJTBB-LLVKDONJSA-N 1 2 271.242 1.452 20 30 CDEDLO Cc1n[nH]cc1C[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000602943831 350168749 /nfs/dbraw/zinc/16/87/49/350168749.db2.gz RRHZSNZWQWDHDG-UHFFFAOYSA-N 1 2 289.364 1.722 20 30 CDEDLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000602943831 350168754 /nfs/dbraw/zinc/16/87/54/350168754.db2.gz RRHZSNZWQWDHDG-UHFFFAOYSA-N 1 2 289.364 1.722 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CC[C@H](c3nnc(C)[nH]3)C2)nn1 ZINC000653762651 412554328 /nfs/dbraw/zinc/55/43/28/412554328.db2.gz MZELKEUHAUUYDB-LBPRGKRZSA-N 1 2 287.371 1.270 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](c3nnc(C)[nH]3)C2)nn1 ZINC000653762651 412554332 /nfs/dbraw/zinc/55/43/32/412554332.db2.gz MZELKEUHAUUYDB-LBPRGKRZSA-N 1 2 287.371 1.270 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CC[C@H](c3nc(C)n[nH]3)C2)nn1 ZINC000653762651 412554335 /nfs/dbraw/zinc/55/43/35/412554335.db2.gz MZELKEUHAUUYDB-LBPRGKRZSA-N 1 2 287.371 1.270 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](c3nc(C)n[nH]3)C2)nn1 ZINC000653762651 412554339 /nfs/dbraw/zinc/55/43/39/412554339.db2.gz MZELKEUHAUUYDB-LBPRGKRZSA-N 1 2 287.371 1.270 20 30 CDEDLO CC[C@H](F)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000440699941 366048890 /nfs/dbraw/zinc/04/88/90/366048890.db2.gz DQATUSKQXGFIKW-ZDUSSCGKSA-N 1 2 262.332 1.823 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H]1CN(c2ccccc2)CCO1 ZINC000491452581 366062627 /nfs/dbraw/zinc/06/26/27/366062627.db2.gz LXRQEGZSBIISGS-RDJZCZTQSA-N 1 2 286.375 1.226 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@H]1CN(c2ccccc2)CCO1 ZINC000491452581 366062628 /nfs/dbraw/zinc/06/26/28/366062628.db2.gz LXRQEGZSBIISGS-RDJZCZTQSA-N 1 2 286.375 1.226 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1occc1C ZINC000292104143 198163895 /nfs/dbraw/zinc/16/38/95/198163895.db2.gz GKDQGXLBBRWTMK-LLVKDONJSA-N 1 2 279.340 1.420 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1occc1C ZINC000292104143 198163897 /nfs/dbraw/zinc/16/38/97/198163897.db2.gz GKDQGXLBBRWTMK-LLVKDONJSA-N 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AAAKEWILKGCIMT-ZDUSSCGKSA-N 1 2 256.346 1.042 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccn3)s2)CC1 ZINC000273594018 192221211 /nfs/dbraw/zinc/22/12/11/192221211.db2.gz IBLNGQYJXHYPHO-UHFFFAOYSA-N 1 2 285.376 1.355 20 30 CDEDLO C[C@]1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCOC1 ZINC000328936536 538443265 /nfs/dbraw/zinc/44/32/65/538443265.db2.gz FYHHFMSXBOUUGB-SMDDNHRTSA-N 1 2 263.341 1.829 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)CCO1 ZINC000282234520 357280662 /nfs/dbraw/zinc/28/06/62/357280662.db2.gz ISDIJXDKTOQJCL-AWEZNQCLSA-N 1 2 276.336 1.414 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)CCO1 ZINC000282234520 357280667 /nfs/dbraw/zinc/28/06/67/357280667.db2.gz ISDIJXDKTOQJCL-AWEZNQCLSA-N 1 2 276.336 1.414 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000334403146 357578724 /nfs/dbraw/zinc/57/87/24/357578724.db2.gz OPSQJCFOCOJLLH-SNVBAGLBSA-N 1 2 270.292 1.894 20 30 CDEDLO C=CCOc1ccc(CC(=O)NCCn2cc[nH+]c2)cc1 ZINC000294594522 199099733 /nfs/dbraw/zinc/09/97/33/199099733.db2.gz UOZQNVCIVMEHFG-UHFFFAOYSA-N 1 2 285.347 1.807 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000294819780 199198435 /nfs/dbraw/zinc/19/84/35/199198435.db2.gz ORYQGLVJTKSHMN-GFCCVEGCSA-N 1 2 277.324 1.814 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000294819780 199198437 /nfs/dbraw/zinc/19/84/37/199198437.db2.gz ORYQGLVJTKSHMN-GFCCVEGCSA-N 1 2 277.324 1.814 20 30 CDEDLO COCC[C@@H]1COCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000291288985 358910720 /nfs/dbraw/zinc/91/07/20/358910720.db2.gz PKIBWHBUFXZUMU-OAHLLOKOSA-N 1 2 260.337 1.796 20 30 CDEDLO COCC[C@@H]1COCC[N@H+]1Cc1cccc(C#N)c1 ZINC000291288985 358910726 /nfs/dbraw/zinc/91/07/26/358910726.db2.gz PKIBWHBUFXZUMU-OAHLLOKOSA-N 1 2 260.337 1.796 20 30 CDEDLO C=CCOCC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000345965056 358962136 /nfs/dbraw/zinc/96/21/36/358962136.db2.gz QUEPENQMNBEDDX-OLZOCXBDSA-N 1 2 263.341 1.495 20 30 CDEDLO N#Cc1cc(C(=O)NCCn2cc[nH+]c2)ccc1F ZINC000341192905 366526810 /nfs/dbraw/zinc/52/68/10/366526810.db2.gz SDMPEFLUJAOUMW-UHFFFAOYSA-N 1 2 258.256 1.324 20 30 CDEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)c(C)c2)C[C@@H](C)O1 ZINC000338342117 359120177 /nfs/dbraw/zinc/12/01/77/359120177.db2.gz FLMNMQIKMMTUDN-IUODEOHRSA-N 1 2 288.347 1.629 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)c(C)c2)C[C@@H](C)O1 ZINC000338342117 359120181 /nfs/dbraw/zinc/12/01/81/359120181.db2.gz FLMNMQIKMMTUDN-IUODEOHRSA-N 1 2 288.347 1.629 20 30 CDEDLO CC(C)[C@H](NC(=O)c1cnn(C)c1C#N)c1[nH]cc[nH+]1 ZINC000338880719 359191404 /nfs/dbraw/zinc/19/14/04/359191404.db2.gz PGNSTHQXWOKMMT-NSHDSACASA-N 1 2 272.312 1.142 20 30 CDEDLO CC[C@H](O)C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000339057262 359282974 /nfs/dbraw/zinc/28/29/74/359282974.db2.gz DFQKNMLOJXIOPI-LSDHHAIUSA-N 1 2 260.337 1.702 20 30 CDEDLO CC[C@H](O)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000339057262 359282978 /nfs/dbraw/zinc/28/29/78/359282978.db2.gz DFQKNMLOJXIOPI-LSDHHAIUSA-N 1 2 260.337 1.702 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cncc(F)c2)CC1 ZINC000268269788 359358832 /nfs/dbraw/zinc/35/88/32/359358832.db2.gz NFZQPSWBWVBGKR-UHFFFAOYSA-N 1 2 261.300 1.002 20 30 CDEDLO C#CC(C)(C)NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000265162684 359323780 /nfs/dbraw/zinc/32/37/80/359323780.db2.gz BYXVDXAWIWGRLT-UHFFFAOYSA-N 1 2 255.321 1.873 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000265787093 359334164 /nfs/dbraw/zinc/33/41/64/359334164.db2.gz SLYJZQOGKIFNLW-CHWSQXEVSA-N 1 2 265.357 1.617 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000266915630 359345751 /nfs/dbraw/zinc/34/57/51/359345751.db2.gz KFGYDUOJFHYXTI-UHFFFAOYSA-N 1 2 259.309 1.662 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000266915630 359345754 /nfs/dbraw/zinc/34/57/54/359345754.db2.gz KFGYDUOJFHYXTI-UHFFFAOYSA-N 1 2 259.309 1.662 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@H](CO)C2)c1 ZINC000271180920 359420976 /nfs/dbraw/zinc/42/09/76/359420976.db2.gz MEAPIYOVSCSAFZ-HNNXBMFYSA-N 1 2 263.337 1.445 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2CCO[C@H](CO)C2)c1 ZINC000271180920 359420979 /nfs/dbraw/zinc/42/09/79/359420979.db2.gz MEAPIYOVSCSAFZ-HNNXBMFYSA-N 1 2 263.337 1.445 20 30 CDEDLO N#CCC[N@H+](CCCSCC#N)CCN1CCOCC1 ZINC000081531570 359861470 /nfs/dbraw/zinc/86/14/70/359861470.db2.gz GUCHWXMFSDZEKM-UHFFFAOYSA-N 1 2 296.440 1.181 20 30 CDEDLO N#CCC[N@@H+](CCCSCC#N)CCN1CCOCC1 ZINC000081531570 359861472 /nfs/dbraw/zinc/86/14/72/359861472.db2.gz GUCHWXMFSDZEKM-UHFFFAOYSA-N 1 2 296.440 1.181 20 30 CDEDLO N#CCCN(CCCSCC#N)CC[NH+]1CCOCC1 ZINC000081531570 359861473 /nfs/dbraw/zinc/86/14/73/359861473.db2.gz GUCHWXMFSDZEKM-UHFFFAOYSA-N 1 2 296.440 1.181 20 30 CDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057907505 360167707 /nfs/dbraw/zinc/16/77/07/360167707.db2.gz GQOGEEVUZYFNKL-OCCSQVGLSA-N 1 2 263.385 1.917 20 30 CDEDLO C=CCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000089940459 360193097 /nfs/dbraw/zinc/19/30/97/360193097.db2.gz HMUFEHBNTMHODL-UHFFFAOYSA-N 1 2 298.346 1.691 20 30 CDEDLO CCOC(=O)C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C(C)C ZINC000178313919 189105773 /nfs/dbraw/zinc/10/57/73/189105773.db2.gz SJSPQXLAUNXDOD-HNNXBMFYSA-N 1 2 290.363 1.865 20 30 CDEDLO CCOC(=O)C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C(C)C ZINC000178313919 189105774 /nfs/dbraw/zinc/10/57/74/189105774.db2.gz SJSPQXLAUNXDOD-HNNXBMFYSA-N 1 2 290.363 1.865 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178355730 189110096 /nfs/dbraw/zinc/11/00/96/189110096.db2.gz MWZSCCJFFNJYKW-GFCCVEGCSA-N 1 2 273.336 1.932 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000245600443 360711898 /nfs/dbraw/zinc/71/18/98/360711898.db2.gz ITTXRZAZOKODMX-AAEUAGOBSA-N 1 2 289.383 1.315 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000245600443 360711901 /nfs/dbraw/zinc/71/19/01/360711901.db2.gz ITTXRZAZOKODMX-AAEUAGOBSA-N 1 2 289.383 1.315 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnc2ccsc2c1 ZINC000565051700 360739781 /nfs/dbraw/zinc/73/97/81/360739781.db2.gz QKVPAKAXAZWRRK-CQSZACIVSA-N 1 2 288.376 1.870 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000429570289 360858803 /nfs/dbraw/zinc/85/88/03/360858803.db2.gz OIVLOOQEQLTJTG-DJJJIMSYSA-N 1 2 286.441 1.254 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000429570289 360858806 /nfs/dbraw/zinc/85/88/06/360858806.db2.gz OIVLOOQEQLTJTG-DJJJIMSYSA-N 1 2 286.441 1.254 20 30 CDEDLO C=CC[C@H](C)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000247194556 361034268 /nfs/dbraw/zinc/03/42/68/361034268.db2.gz SSADABUWDUAYRK-AVGNSLFASA-N 1 2 269.389 1.359 20 30 CDEDLO Cn1c[nH+]cc1CN1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000367142553 361067451 /nfs/dbraw/zinc/06/74/51/361067451.db2.gz XYDIDPQIQOIPNH-MRXNPFEDSA-N 1 2 282.347 1.865 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)N1CCC(F)(C#N)CC1 ZINC000432247641 361129331 /nfs/dbraw/zinc/12/93/31/361129331.db2.gz SRJAEWBMSPIVQV-UHFFFAOYSA-N 1 2 292.314 1.627 20 30 CDEDLO CC(C)CCOCCNC(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433300416 361230023 /nfs/dbraw/zinc/23/00/23/361230023.db2.gz DOZWFAAWXSPSAK-UHFFFAOYSA-N 1 2 283.416 1.647 20 30 CDEDLO CC(C)CCOCCNC(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433300416 361230028 /nfs/dbraw/zinc/23/00/28/361230028.db2.gz DOZWFAAWXSPSAK-UHFFFAOYSA-N 1 2 283.416 1.647 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1cccc(F)c1 ZINC000580390259 363993931 /nfs/dbraw/zinc/99/39/31/363993931.db2.gz IZISUQHIGZHWFL-AWEZNQCLSA-N 1 2 263.316 1.328 20 30 CDEDLO CC(C)(O)CN1CC[NH+](CCCSCC#N)CC1 ZINC000173881183 364101584 /nfs/dbraw/zinc/10/15/84/364101584.db2.gz ZLEUVQNSUJWCQV-UHFFFAOYSA-N 1 2 271.430 1.022 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCOc2cc(OC)ccc2C1 ZINC000374836899 370760091 /nfs/dbraw/zinc/76/00/91/370760091.db2.gz BBHQXCJHSXCQCA-UHFFFAOYSA-N 1 2 276.336 1.192 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCOc2cc(OC)ccc2C1 ZINC000374836899 370760097 /nfs/dbraw/zinc/76/00/97/370760097.db2.gz BBHQXCJHSXCQCA-UHFFFAOYSA-N 1 2 276.336 1.192 20 30 CDEDLO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000367041453 364630014 /nfs/dbraw/zinc/63/00/14/364630014.db2.gz WMKOZXIGFUCGDF-UONOGXRCSA-N 1 2 264.300 1.279 20 30 CDEDLO CO[C@@H]1C[C@@H](CO)[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000367041453 364630023 /nfs/dbraw/zinc/63/00/23/364630023.db2.gz WMKOZXIGFUCGDF-UONOGXRCSA-N 1 2 264.300 1.279 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H](C(N)=O)C1 ZINC000249549000 364861048 /nfs/dbraw/zinc/86/10/48/364861048.db2.gz HEOSPEACBODOJW-SMDDNHRTSA-N 1 2 257.337 1.644 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H](C(N)=O)C1 ZINC000249549000 364861053 /nfs/dbraw/zinc/86/10/53/364861053.db2.gz HEOSPEACBODOJW-SMDDNHRTSA-N 1 2 257.337 1.644 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000249583635 364922291 /nfs/dbraw/zinc/92/22/91/364922291.db2.gz SCHOLEISJGIXEY-SMDDNHRTSA-N 1 2 287.363 1.653 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000249583635 364922296 /nfs/dbraw/zinc/92/22/96/364922296.db2.gz SCHOLEISJGIXEY-SMDDNHRTSA-N 1 2 287.363 1.653 20 30 CDEDLO C=C(C)CCn1cc(C[NH+]2CCSCC2)nn1 ZINC000641070151 364929598 /nfs/dbraw/zinc/92/95/98/364929598.db2.gz XSYMLHAWAKLHMX-UHFFFAOYSA-N 1 2 252.387 1.793 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cc(O)ccc2Cl)nn1 ZINC000641071569 364950311 /nfs/dbraw/zinc/95/03/11/364950311.db2.gz IGCMRHQIAHNINN-UHFFFAOYSA-N 1 2 290.754 1.798 20 30 CDEDLO Cc1cc(C#N)cc(NC(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000456965792 364986036 /nfs/dbraw/zinc/98/60/36/364986036.db2.gz NDFJSDZIGJYNIZ-ZDUSSCGKSA-N 1 2 259.309 1.136 20 30 CDEDLO Cc1cc(C#N)cc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000456965792 364986041 /nfs/dbraw/zinc/98/60/41/364986041.db2.gz NDFJSDZIGJYNIZ-ZDUSSCGKSA-N 1 2 259.309 1.136 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)[C@H](C)c2ccccc2)nn1 ZINC000641219496 365230085 /nfs/dbraw/zinc/23/00/85/365230085.db2.gz IAXSMVRYSQYKPA-RHSMWYFYSA-N 1 2 298.390 1.556 20 30 CDEDLO Cn1nncc1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000564323990 365415036 /nfs/dbraw/zinc/41/50/36/365415036.db2.gz RECHFNDOUJDTBD-UHFFFAOYSA-N 1 2 285.351 1.335 20 30 CDEDLO Cn1nncc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000564323990 365415042 /nfs/dbraw/zinc/41/50/42/365415042.db2.gz RECHFNDOUJDTBD-UHFFFAOYSA-N 1 2 285.351 1.335 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1c1ncccn1 ZINC000639841391 367018481 /nfs/dbraw/zinc/01/84/81/367018481.db2.gz UJTRNRPUZCKCOH-AWEZNQCLSA-N 1 2 286.379 1.814 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1c1ncccn1 ZINC000639841391 367018485 /nfs/dbraw/zinc/01/84/85/367018485.db2.gz UJTRNRPUZCKCOH-AWEZNQCLSA-N 1 2 286.379 1.814 20 30 CDEDLO N#Cc1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c[nH]1 ZINC000271954370 367043063 /nfs/dbraw/zinc/04/30/63/367043063.db2.gz FFCVQDPDZSWJCE-JTQLQIEISA-N 1 2 269.308 1.629 20 30 CDEDLO O=C(CCc1[nH]cc[nH+]1)NCC#Cc1cccc(F)c1 ZINC000357698320 367152991 /nfs/dbraw/zinc/15/29/91/367152991.db2.gz QIWXOYMMPRTVFW-UHFFFAOYSA-N 1 2 271.295 1.649 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C)CC1 ZINC000026470147 367740609 /nfs/dbraw/zinc/74/06/09/367740609.db2.gz ULPVBFAZRPEMOZ-OAHLLOKOSA-N 1 2 285.391 1.255 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000275922184 193164145 /nfs/dbraw/zinc/16/41/45/193164145.db2.gz JZKTTWSBTUYARW-CYBMUJFWSA-N 1 2 274.368 1.476 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000275922184 193164147 /nfs/dbraw/zinc/16/41/47/193164147.db2.gz JZKTTWSBTUYARW-CYBMUJFWSA-N 1 2 274.368 1.476 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(CC)cc2)CC1 ZINC000128378718 368413859 /nfs/dbraw/zinc/41/38/59/368413859.db2.gz RWSAGTBTYSSOEQ-UHFFFAOYSA-N 1 2 286.375 1.405 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(C)c2)CC1 ZINC000128401822 368422607 /nfs/dbraw/zinc/42/26/07/368422607.db2.gz KIRPJORFPIYPIJ-UHFFFAOYSA-N 1 2 272.348 1.151 20 30 CDEDLO C#CCOc1ccccc1C[NH2+]Cc1nncn1CC ZINC000218222965 368663493 /nfs/dbraw/zinc/66/34/93/368663493.db2.gz PPRBJUJKKGULOP-UHFFFAOYSA-N 1 2 270.336 1.600 20 30 CDEDLO CC#CCCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000361250633 368711049 /nfs/dbraw/zinc/71/10/49/368711049.db2.gz URGDVRNZNINIGT-UHFFFAOYSA-N 1 2 270.336 1.589 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccccc2F)nn1 ZINC000630597916 369358871 /nfs/dbraw/zinc/35/88/71/369358871.db2.gz NWSTZJDEJCQNDM-UHFFFAOYSA-N 1 2 258.300 1.578 20 30 CDEDLO CCOc1cccc(NC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000568384415 371222992 /nfs/dbraw/zinc/22/29/92/371222992.db2.gz FMBHLEADLQUOKJ-CQSZACIVSA-N 1 2 277.368 1.704 20 30 CDEDLO CCOc1cccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000568384415 371223001 /nfs/dbraw/zinc/22/30/01/371223001.db2.gz FMBHLEADLQUOKJ-CQSZACIVSA-N 1 2 277.368 1.704 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC(C#N)CC1)C1CC1 ZINC000579936818 372652035 /nfs/dbraw/zinc/65/20/35/372652035.db2.gz OYYQNUVSANHBKH-CYBMUJFWSA-N 1 2 287.367 1.816 20 30 CDEDLO C[N@H+](CC(=O)Nc1nncs1)Cc1ccoc1 ZINC000048839305 372894735 /nfs/dbraw/zinc/89/47/35/372894735.db2.gz VCDBKWMHDATOEN-UHFFFAOYSA-N 1 2 252.299 1.851 20 30 CDEDLO C[N@@H+](CC(=O)Nc1nncs1)Cc1ccoc1 ZINC000048839305 372894743 /nfs/dbraw/zinc/89/47/43/372894743.db2.gz VCDBKWMHDATOEN-UHFFFAOYSA-N 1 2 252.299 1.851 20 30 CDEDLO Cc1cc(N[C@H]2CCc3[nH]c[nH+]c3C2)c(C#N)cn1 ZINC000333471167 205350373 /nfs/dbraw/zinc/35/03/73/205350373.db2.gz NQPXPYRNPVZLMR-NSHDSACASA-N 1 2 253.309 1.376 20 30 CDEDLO Cc1cc(N[C@H]2CCc3[nH+]c[nH]c3C2)c(C#N)cn1 ZINC000333471167 205350374 /nfs/dbraw/zinc/35/03/74/205350374.db2.gz NQPXPYRNPVZLMR-NSHDSACASA-N 1 2 253.309 1.376 20 30 CDEDLO C=C1CC(C)(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)C1 ZINC000630945164 373455504 /nfs/dbraw/zinc/45/55/04/373455504.db2.gz ZXJZACWJQUIJBH-UHFFFAOYSA-N 1 2 288.395 1.421 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cc(C#N)ccn1)CCC2 ZINC000355144250 373821784 /nfs/dbraw/zinc/82/17/84/373821784.db2.gz RVSOBBSJNKLKFJ-ZDUSSCGKSA-N 1 2 295.346 1.766 20 30 CDEDLO C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)c1ccc(C#N)o1 ZINC000356812493 373871541 /nfs/dbraw/zinc/87/15/41/373871541.db2.gz PPFTVCVWGVKHBH-YPMHNXCESA-N 1 2 289.335 1.086 20 30 CDEDLO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(C#N)s2)[C@@H](C)C1 ZINC000356911938 373876603 /nfs/dbraw/zinc/87/66/03/373876603.db2.gz ODMRCHITVNDKSE-WDEREUQCSA-N 1 2 293.392 1.147 20 30 CDEDLO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(C#N)s2)[C@@H](C)C1 ZINC000356911938 373876607 /nfs/dbraw/zinc/87/66/07/373876607.db2.gz ODMRCHITVNDKSE-WDEREUQCSA-N 1 2 293.392 1.147 20 30 CDEDLO C[C@H](C(=O)NCc1[nH]cc[nH+]1)c1cccc(C#N)c1 ZINC000360184041 374005617 /nfs/dbraw/zinc/00/56/17/374005617.db2.gz ONYLKKPAUZPHID-JTQLQIEISA-N 1 2 254.293 1.701 20 30 CDEDLO N#Cc1ccc(SCC(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000114124612 374296756 /nfs/dbraw/zinc/29/67/56/374296756.db2.gz QQNRCEVFCXZACH-UHFFFAOYSA-N 1 2 272.333 1.690 20 30 CDEDLO Cn1cc(C#N)cc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000080938533 374486512 /nfs/dbraw/zinc/48/65/12/374486512.db2.gz BNDLBBXLQXANOO-UHFFFAOYSA-N 1 2 295.346 1.254 20 30 CDEDLO C[N@H+](Cc1cnc2c(C#N)cnn2c1)CC(C)(C)C#N ZINC000574519259 335026233 /nfs/dbraw/zinc/02/62/33/335026233.db2.gz KNYTVUPYKFSSLL-UHFFFAOYSA-N 1 2 268.324 1.583 20 30 CDEDLO C[N@@H+](Cc1cnc2c(C#N)cnn2c1)CC(C)(C)C#N ZINC000574519259 335026234 /nfs/dbraw/zinc/02/62/34/335026234.db2.gz KNYTVUPYKFSSLL-UHFFFAOYSA-N 1 2 268.324 1.583 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000279135975 374873127 /nfs/dbraw/zinc/87/31/27/374873127.db2.gz XFVDWYUUUINTRF-CJNGLKHVSA-N 1 2 299.374 1.774 20 30 CDEDLO C[C@@H]1COCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000279135975 374873134 /nfs/dbraw/zinc/87/31/34/374873134.db2.gz XFVDWYUUUINTRF-CJNGLKHVSA-N 1 2 299.374 1.774 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCn2cc[nH+]c2C1 ZINC000332631665 375038783 /nfs/dbraw/zinc/03/87/83/375038783.db2.gz WOPJMTNXPWHYIF-LBPRGKRZSA-N 1 2 295.346 1.598 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)Nc1ccc(C#N)cc1 ZINC000334301813 375116642 /nfs/dbraw/zinc/11/66/42/375116642.db2.gz YNLYVJFZPYFLIJ-UHFFFAOYSA-N 1 2 255.281 1.613 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CC1 ZINC000353362287 375279593 /nfs/dbraw/zinc/27/95/93/375279593.db2.gz YHRLWBUHGROXSP-GFCCVEGCSA-N 1 2 269.308 1.501 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCOCC12CCC2 ZINC000135504396 375709763 /nfs/dbraw/zinc/70/97/63/375709763.db2.gz NKGMTZMTIUHLFW-ZDUSSCGKSA-N 1 2 279.384 1.249 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCOCC12CCC2 ZINC000135504396 375709768 /nfs/dbraw/zinc/70/97/68/375709768.db2.gz NKGMTZMTIUHLFW-ZDUSSCGKSA-N 1 2 279.384 1.249 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOCC12CCC2 ZINC000135521570 375712981 /nfs/dbraw/zinc/71/29/81/375712981.db2.gz JISFOJZPQKRPPC-UHFFFAOYSA-N 1 2 266.385 1.666 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOCC12CCC2 ZINC000135521570 375712985 /nfs/dbraw/zinc/71/29/85/375712985.db2.gz JISFOJZPQKRPPC-UHFFFAOYSA-N 1 2 266.385 1.666 20 30 CDEDLO N#CC1(F)CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000343233593 375795990 /nfs/dbraw/zinc/79/59/90/375795990.db2.gz JGZVJVFHHTVLNI-UHFFFAOYSA-N 1 2 255.684 1.544 20 30 CDEDLO N#CC1(F)CCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000343233593 375795994 /nfs/dbraw/zinc/79/59/94/375795994.db2.gz JGZVJVFHHTVLNI-UHFFFAOYSA-N 1 2 255.684 1.544 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000122786921 375803244 /nfs/dbraw/zinc/80/32/44/375803244.db2.gz LZNZOPDLWOPZKL-AGIUHOORSA-N 1 2 267.373 1.104 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000122786921 375803248 /nfs/dbraw/zinc/80/32/48/375803248.db2.gz LZNZOPDLWOPZKL-AGIUHOORSA-N 1 2 267.373 1.104 20 30 CDEDLO CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@@H](C)C#N ZINC000049000635 375873591 /nfs/dbraw/zinc/87/35/91/375873591.db2.gz LZGCBXBCTREUPF-JTQLQIEISA-N 1 2 268.361 1.092 20 30 CDEDLO CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@@H](C)C#N ZINC000049000635 375873594 /nfs/dbraw/zinc/87/35/94/375873594.db2.gz LZGCBXBCTREUPF-JTQLQIEISA-N 1 2 268.361 1.092 20 30 CDEDLO Cc1[nH]c(C(=O)N[C@H](C)c2nnc3n2CCCC3)c[nH+]1 ZINC000328776623 375953479 /nfs/dbraw/zinc/95/34/79/375953479.db2.gz LDQLTVZTFKVUPW-MRVPVSSYSA-N 1 2 274.328 1.712 20 30 CDEDLO C[C@@H]1NC(=O)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000328683547 375926981 /nfs/dbraw/zinc/92/69/81/375926981.db2.gz PGWVAUXIJWPMAE-QWRGUYRKSA-N 1 2 283.372 1.561 20 30 CDEDLO CC1(C)C[N@H+](CCNC(=O)NC[C@H]2CCCCO2)CCO1 ZINC000328760049 375947543 /nfs/dbraw/zinc/94/75/43/375947543.db2.gz XFKWAWCJHBAVJX-CYBMUJFWSA-N 1 2 299.415 1.170 20 30 CDEDLO CC1(C)C[N@@H+](CCNC(=O)NC[C@H]2CCCCO2)CCO1 ZINC000328760049 375947551 /nfs/dbraw/zinc/94/75/51/375947551.db2.gz XFKWAWCJHBAVJX-CYBMUJFWSA-N 1 2 299.415 1.170 20 30 CDEDLO C[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)[C@@H]1CCCO1 ZINC000328881111 375999730 /nfs/dbraw/zinc/99/97/30/375999730.db2.gz WIFWFOKZQRQTCW-AVGNSLFASA-N 1 2 292.383 1.691 20 30 CDEDLO C=CC[N@@H+](C[C@H](CC(C)C)OC)[C@H]1CCS(=O)(=O)C1 ZINC000419231514 376102839 /nfs/dbraw/zinc/10/28/39/376102839.db2.gz ZYICKZSNGAAOQH-KBPBESRZSA-N 1 2 289.441 1.723 20 30 CDEDLO C=CC[N@H+](C[C@H](CC(C)C)OC)[C@H]1CCS(=O)(=O)C1 ZINC000419231514 376102844 /nfs/dbraw/zinc/10/28/44/376102844.db2.gz ZYICKZSNGAAOQH-KBPBESRZSA-N 1 2 289.441 1.723 20 30 CDEDLO C=CC[N@H+](CCOCC1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000419215802 376103200 /nfs/dbraw/zinc/10/32/00/376103200.db2.gz AOGBAUPVNFQMFT-AWEZNQCLSA-N 1 2 287.425 1.478 20 30 CDEDLO C=CC[N@@H+](CCOCC1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000419215802 376103208 /nfs/dbraw/zinc/10/32/08/376103208.db2.gz AOGBAUPVNFQMFT-AWEZNQCLSA-N 1 2 287.425 1.478 20 30 CDEDLO CCn1cc[nH+]c1CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000295882974 376731281 /nfs/dbraw/zinc/73/12/81/376731281.db2.gz YOIQNPWUDNAPKT-GFCCVEGCSA-N 1 2 298.346 1.858 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000246667457 376967939 /nfs/dbraw/zinc/96/79/39/376967939.db2.gz DBNNYHBVFBXYIQ-HUUCEWRRSA-N 1 2 274.364 1.487 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000246667457 376967944 /nfs/dbraw/zinc/96/79/44/376967944.db2.gz DBNNYHBVFBXYIQ-HUUCEWRRSA-N 1 2 274.364 1.487 20 30 CDEDLO COC(=O)[C@H]1CCC[N@@H+]1CCOc1ccccc1C#N ZINC000172059548 377237491 /nfs/dbraw/zinc/23/74/91/377237491.db2.gz ABHKBNUNCCITCH-CYBMUJFWSA-N 1 2 274.320 1.574 20 30 CDEDLO COC(=O)[C@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC000172059548 377237498 /nfs/dbraw/zinc/23/74/98/377237498.db2.gz ABHKBNUNCCITCH-CYBMUJFWSA-N 1 2 274.320 1.574 20 30 CDEDLO C#CCSCCNc1[nH+]cnc(-n2cccn2)c1N ZINC000163253147 377547897 /nfs/dbraw/zinc/54/78/97/377547897.db2.gz OIJUDFOYHNSKSO-UHFFFAOYSA-N 1 2 274.353 1.023 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000133869461 377988390 /nfs/dbraw/zinc/98/83/90/377988390.db2.gz BRTFWSVCMGTVBW-NSHDSACASA-N 1 2 262.328 1.875 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCc2ccc(F)cc2C1 ZINC000133869461 377988393 /nfs/dbraw/zinc/98/83/93/377988393.db2.gz BRTFWSVCMGTVBW-NSHDSACASA-N 1 2 262.328 1.875 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000192238017 378177918 /nfs/dbraw/zinc/17/79/18/378177918.db2.gz LUVOWPFWKOWNEP-QWHCGFSZSA-N 1 2 256.349 1.918 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000192238017 378177921 /nfs/dbraw/zinc/17/79/21/378177921.db2.gz LUVOWPFWKOWNEP-QWHCGFSZSA-N 1 2 256.349 1.918 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnccc2OC)C1=O ZINC000286804116 378239833 /nfs/dbraw/zinc/23/98/33/378239833.db2.gz JDRWNHRAAGPMFI-ZDUSSCGKSA-N 1 2 275.352 1.309 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnccc2OC)C1=O ZINC000286804116 378239839 /nfs/dbraw/zinc/23/98/39/378239839.db2.gz JDRWNHRAAGPMFI-ZDUSSCGKSA-N 1 2 275.352 1.309 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000290499364 378380700 /nfs/dbraw/zinc/38/07/00/378380700.db2.gz MFFFFSYHWXKPIL-YDHLFZDLSA-N 1 2 277.368 1.620 20 30 CDEDLO C=C[C@@H](CO)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000292639245 378504276 /nfs/dbraw/zinc/50/42/76/378504276.db2.gz YAGTWVQDWKFKPW-ZDUSSCGKSA-N 1 2 290.367 1.028 20 30 CDEDLO C#CCCCCNC(=O)NCc1c[nH+]ccc1OC ZINC000293166706 378543988 /nfs/dbraw/zinc/54/39/88/378543988.db2.gz XUXKEMUTFJFCLE-UHFFFAOYSA-N 1 2 261.325 1.693 20 30 CDEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000293250487 378550968 /nfs/dbraw/zinc/55/09/68/378550968.db2.gz TWVNOFTYYCNGHI-LBPRGKRZSA-N 1 2 285.347 1.315 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000293250487 378550971 /nfs/dbraw/zinc/55/09/71/378550971.db2.gz TWVNOFTYYCNGHI-LBPRGKRZSA-N 1 2 285.347 1.315 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000293357718 378568610 /nfs/dbraw/zinc/56/86/10/378568610.db2.gz DXHQMEJQWRCRPU-UHFFFAOYSA-N 1 2 264.325 1.240 20 30 CDEDLO C=CCCCS(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000293080414 378536746 /nfs/dbraw/zinc/53/67/46/378536746.db2.gz SHYDGXQULNOMFD-LLVKDONJSA-N 1 2 257.359 1.157 20 30 CDEDLO N#Cc1cc(Cl)ccc1NCCC[N@@H+]1CCNC(=O)C1 ZINC000278703047 194112975 /nfs/dbraw/zinc/11/29/75/194112975.db2.gz IMRHKGJCHUPGRB-UHFFFAOYSA-N 1 2 292.770 1.445 20 30 CDEDLO N#Cc1cc(Cl)ccc1NCCC[N@H+]1CCNC(=O)C1 ZINC000278703047 194112978 /nfs/dbraw/zinc/11/29/78/194112978.db2.gz IMRHKGJCHUPGRB-UHFFFAOYSA-N 1 2 292.770 1.445 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2nc(Cl)cs2)CC1 ZINC000279189755 194324755 /nfs/dbraw/zinc/32/47/55/194324755.db2.gz ITYMERSLAMBUHJ-UHFFFAOYSA-N 1 2 283.784 1.578 20 30 CDEDLO O=C1NC(=O)N2CC[N@H+](CC#Cc3ccccc3)C[C@@H]12 ZINC000330129493 296355238 /nfs/dbraw/zinc/35/52/38/296355238.db2.gz OKHVRZWVRFQXGG-ZDUSSCGKSA-N 1 2 269.304 1.114 20 30 CDEDLO O=C1NC(=O)N2CC[N@@H+](CC#Cc3ccccc3)C[C@@H]12 ZINC000330129493 296355240 /nfs/dbraw/zinc/35/52/40/296355240.db2.gz OKHVRZWVRFQXGG-ZDUSSCGKSA-N 1 2 269.304 1.114 20 30 CDEDLO C#C[C@@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C(C)C ZINC000281220526 195154683 /nfs/dbraw/zinc/15/46/83/195154683.db2.gz DITGOIQTQZZRCH-ZIAGYGMSSA-N 1 2 286.379 1.617 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NC(C)(C)CC)C1=O ZINC000281231076 195159875 /nfs/dbraw/zinc/15/98/75/195159875.db2.gz FKUBLSOMJHDIJT-OLZOCXBDSA-N 1 2 295.427 1.398 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)NC(C)(C)CC)C1=O ZINC000281231076 195159877 /nfs/dbraw/zinc/15/98/77/195159877.db2.gz FKUBLSOMJHDIJT-OLZOCXBDSA-N 1 2 295.427 1.398 20 30 CDEDLO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)C[C@H](C)C#N ZINC000332479784 260012610 /nfs/dbraw/zinc/01/26/10/260012610.db2.gz OBEWRNBPTGCWKI-NXEZZACHSA-N 1 2 268.361 1.091 20 30 CDEDLO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)C[C@H](C)C#N ZINC000332479784 260012611 /nfs/dbraw/zinc/01/26/11/260012611.db2.gz OBEWRNBPTGCWKI-NXEZZACHSA-N 1 2 268.361 1.091 20 30 CDEDLO Cc1nsc(NCC(C)(C)[NH+]2CCOCC2)c1C#N ZINC000285815073 390183937 /nfs/dbraw/zinc/18/39/37/390183937.db2.gz YYUHOMDOPXOBDH-UHFFFAOYSA-N 1 2 280.397 1.846 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCc1c[nH+]cn1C ZINC000292806842 390805455 /nfs/dbraw/zinc/80/54/55/390805455.db2.gz SQBCAFVVAKNCCQ-UHFFFAOYSA-N 1 2 250.346 1.822 20 30 CDEDLO CC(C)(C#N)c1ccccc1CO[NH+]=C(N)CCO ZINC000136071042 390940998 /nfs/dbraw/zinc/94/09/98/390940998.db2.gz WUUDGECTPCIDDN-UHFFFAOYSA-N 1 2 261.325 1.659 20 30 CDEDLO CC(C)CCc1nc(CO[NH+]=C(N)CCO)cs1 ZINC000121346855 390884072 /nfs/dbraw/zinc/88/40/72/390884072.db2.gz URSSIDCHFLYZQE-UHFFFAOYSA-N 1 2 271.386 1.903 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCOC2(CCC2)C1 ZINC000154124949 390911763 /nfs/dbraw/zinc/91/17/63/390911763.db2.gz AVHQXHZLZMNHLU-UHFFFAOYSA-N 1 2 265.357 1.003 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCOC2(CCC2)C1 ZINC000154124949 390911764 /nfs/dbraw/zinc/91/17/64/390911764.db2.gz AVHQXHZLZMNHLU-UHFFFAOYSA-N 1 2 265.357 1.003 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCOC2(CCC2)C1 ZINC000154176696 390912030 /nfs/dbraw/zinc/91/20/30/390912030.db2.gz JQTHLHSDGQXWOW-ZDUSSCGKSA-N 1 2 279.384 1.249 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCOC2(CCC2)C1 ZINC000154176696 390912032 /nfs/dbraw/zinc/91/20/32/390912032.db2.gz JQTHLHSDGQXWOW-ZDUSSCGKSA-N 1 2 279.384 1.249 20 30 CDEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000154949661 390916814 /nfs/dbraw/zinc/91/68/14/390916814.db2.gz UJEMSUPWDNEYPG-SECBINFHSA-N 1 2 261.163 1.496 20 30 CDEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000154949661 390916816 /nfs/dbraw/zinc/91/68/16/390916816.db2.gz UJEMSUPWDNEYPG-SECBINFHSA-N 1 2 261.163 1.496 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CCCOCC1 ZINC000329493339 390997746 /nfs/dbraw/zinc/99/77/46/390997746.db2.gz UGJSHIMWEOGWOA-LLVKDONJSA-N 1 2 266.345 1.335 20 30 CDEDLO CC(C)(C#N)c1nc([C@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000329639915 391056482 /nfs/dbraw/zinc/05/64/82/391056482.db2.gz ZGSWKABTEAJYTL-YGRLFVJLSA-N 1 2 276.340 1.797 20 30 CDEDLO CC(C)(C#N)c1nc([C@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000329639915 391056490 /nfs/dbraw/zinc/05/64/90/391056490.db2.gz ZGSWKABTEAJYTL-YGRLFVJLSA-N 1 2 276.340 1.797 20 30 CDEDLO CN(C)c1ccc(CNC(=O)NCCCCC#N)c[nH+]1 ZINC000351353861 391070248 /nfs/dbraw/zinc/07/02/48/391070248.db2.gz TXSCDWPPBCDLGF-UHFFFAOYSA-N 1 2 275.356 1.641 20 30 CDEDLO C#C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C(C)C ZINC000374164369 391151575 /nfs/dbraw/zinc/15/15/75/391151575.db2.gz QSVHOWWWIZEXHM-GJZGRUSLSA-N 1 2 278.396 1.404 20 30 CDEDLO C#C[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C(C)C ZINC000374164369 391151577 /nfs/dbraw/zinc/15/15/77/391151577.db2.gz QSVHOWWWIZEXHM-GJZGRUSLSA-N 1 2 278.396 1.404 20 30 CDEDLO CCN(CC)C(=O)CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000177564393 391171207 /nfs/dbraw/zinc/17/12/07/391171207.db2.gz XKLYMIOZELDCOL-UHFFFAOYSA-N 1 2 281.331 1.639 20 30 CDEDLO CN(CCC#N)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000265778268 391163459 /nfs/dbraw/zinc/16/34/59/391163459.db2.gz GHTLXCTYAZEZEQ-UHFFFAOYSA-N 1 2 287.363 1.504 20 30 CDEDLO Cc1nc(CC(N)=[NH+]OCCOC(C)C)cs1 ZINC000181593162 391225556 /nfs/dbraw/zinc/22/55/56/391225556.db2.gz KSXLMGWULBQDRX-UHFFFAOYSA-N 1 2 257.359 1.708 20 30 CDEDLO C#C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)C(C)C ZINC000376566592 391240926 /nfs/dbraw/zinc/24/09/26/391240926.db2.gz VMGVLRAKNRAVOV-ZNMIVQPWSA-N 1 2 293.411 1.149 20 30 CDEDLO CC(=O)NCC[N@H+](Cc1ccsc1)CC1(C#N)CC1 ZINC000338313926 391195596 /nfs/dbraw/zinc/19/55/96/391195596.db2.gz GMVNGAPQGQATAM-UHFFFAOYSA-N 1 2 277.393 1.990 20 30 CDEDLO CC(=O)NCC[N@@H+](Cc1ccsc1)CC1(C#N)CC1 ZINC000338313926 391195599 /nfs/dbraw/zinc/19/55/99/391195599.db2.gz GMVNGAPQGQATAM-UHFFFAOYSA-N 1 2 277.393 1.990 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000345598976 391294199 /nfs/dbraw/zinc/29/41/99/391294199.db2.gz CNNBLMDQRCSHGQ-CABCVRRESA-N 1 2 296.411 1.291 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@H](C)Cc1ccc(O)cc1)C(=O)OC ZINC000353286608 391324640 /nfs/dbraw/zinc/32/46/40/391324640.db2.gz MNLBEFGEUHWACD-IUODEOHRSA-N 1 2 293.363 1.657 20 30 CDEDLO Cc1[nH]c(C(=O)N[C@H](CC(N)=O)C2CCOCC2)c[nH+]1 ZINC000330455199 391424443 /nfs/dbraw/zinc/42/44/43/391424443.db2.gz MWLGZEADZCCIES-SNVBAGLBSA-N 1 2 280.328 1.743 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000411595395 391487328 /nfs/dbraw/zinc/48/73/28/391487328.db2.gz IYNXVBWLWGGRDS-RYUDHWBXSA-N 1 2 282.388 1.901 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000411595395 391487333 /nfs/dbraw/zinc/48/73/33/391487333.db2.gz IYNXVBWLWGGRDS-RYUDHWBXSA-N 1 2 282.388 1.901 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](CCC)[C@H](C)C(=O)OCC)C1=O ZINC000411646802 391501665 /nfs/dbraw/zinc/50/16/65/391501665.db2.gz LBDGUUSHEFBRCN-CHWSQXEVSA-N 1 2 282.384 1.437 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](CCC)[C@H](C)C(=O)OCC)C1=O ZINC000411646802 391501666 /nfs/dbraw/zinc/50/16/66/391501666.db2.gz LBDGUUSHEFBRCN-CHWSQXEVSA-N 1 2 282.384 1.437 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2Cc3ccc(C(C)=O)cc3C2)C1=O ZINC000411947376 391535610 /nfs/dbraw/zinc/53/56/10/391535610.db2.gz LHILQHXDFPELMO-INIZCTEOSA-N 1 2 284.359 1.992 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2Cc3ccc(C(C)=O)cc3C2)C1=O ZINC000411947376 391535613 /nfs/dbraw/zinc/53/56/13/391535613.db2.gz LHILQHXDFPELMO-INIZCTEOSA-N 1 2 284.359 1.992 20 30 CDEDLO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccon1 ZINC000349235719 391538613 /nfs/dbraw/zinc/53/86/13/391538613.db2.gz GDHBRCMVOVOVJD-LLVKDONJSA-N 1 2 276.340 1.668 20 30 CDEDLO CC#CCCCC(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367092974 391548404 /nfs/dbraw/zinc/54/84/04/391548404.db2.gz QSCOKULZZKHUSY-HNNXBMFYSA-N 1 2 271.364 1.748 20 30 CDEDLO N#CCN1CC[NH+](Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000335733276 391552872 /nfs/dbraw/zinc/55/28/72/391552872.db2.gz SDWVKJGVYHPQKB-UHFFFAOYSA-N 1 2 272.327 1.948 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](CCOC)Cc2ccc(C)o2)C1=O ZINC000282017786 391669234 /nfs/dbraw/zinc/66/92/34/391669234.db2.gz OXYYJCGCYIWMRH-HNNXBMFYSA-N 1 2 292.379 1.823 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](CCOC)Cc2ccc(C)o2)C1=O ZINC000282017786 391669238 /nfs/dbraw/zinc/66/92/38/391669238.db2.gz OXYYJCGCYIWMRH-HNNXBMFYSA-N 1 2 292.379 1.823 20 30 CDEDLO Cc1cccn2c(CN3CCO[C@@H](C#N)C3)c[nH+]c12 ZINC000093135730 391675429 /nfs/dbraw/zinc/67/54/29/391675429.db2.gz KUPAFENWCWSWSI-ZDUSSCGKSA-N 1 2 256.309 1.367 20 30 CDEDLO CNC(=O)C[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000439538380 391678594 /nfs/dbraw/zinc/67/85/94/391678594.db2.gz ACQJDDKPUIHZRX-UHFFFAOYSA-N 1 2 283.278 1.337 20 30 CDEDLO CNC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000439538380 391678596 /nfs/dbraw/zinc/67/85/96/391678596.db2.gz ACQJDDKPUIHZRX-UHFFFAOYSA-N 1 2 283.278 1.337 20 30 CDEDLO C[C@H]([C@H](C)Nc1nccc(C#N)c1Cl)[NH+]1CCOCC1 ZINC000342006101 130194282 /nfs/dbraw/zinc/19/42/82/130194282.db2.gz KOTHYJCBFUBPLH-WDEREUQCSA-N 1 2 294.786 1.550 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCCO1 ZINC000330240830 391814510 /nfs/dbraw/zinc/81/45/10/391814510.db2.gz BOGRTROYWGVRRG-VXGBXAGGSA-N 1 2 278.356 1.223 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2cccs2)CC1 ZINC000121292312 391861982 /nfs/dbraw/zinc/86/19/82/391861982.db2.gz RBATZERSQJKUFA-GFCCVEGCSA-N 1 2 279.409 1.561 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c(C#N)c1C ZINC000229444476 391938335 /nfs/dbraw/zinc/93/83/35/391938335.db2.gz YGZLIVNKWBDCPN-ZANVPECISA-N 1 2 291.351 1.409 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](O)[C@@H](C)C2)c(C#N)c1C ZINC000229444476 391938337 /nfs/dbraw/zinc/93/83/37/391938337.db2.gz YGZLIVNKWBDCPN-ZANVPECISA-N 1 2 291.351 1.409 20 30 CDEDLO CC(C)(CNC(=O)N1CCC(C#N)CC1)[NH+]1CCOCC1 ZINC000171449877 391909326 /nfs/dbraw/zinc/90/93/26/391909326.db2.gz RLUKLSHXYYIUAT-UHFFFAOYSA-N 1 2 294.399 1.042 20 30 CDEDLO C=CCNC(=O)CNc1[nH+]ccc(C)c1Br ZINC000286092834 392014166 /nfs/dbraw/zinc/01/41/66/392014166.db2.gz CIUIZLXHNOSSGB-UHFFFAOYSA-N 1 2 284.157 1.867 20 30 CDEDLO C=CCn1cc(C(=O)N[C@H](CC)c2[nH]cc[nH+]2)nn1 ZINC000648863496 392111759 /nfs/dbraw/zinc/11/17/59/392111759.db2.gz GPDMNTSLPGMBOX-SECBINFHSA-N 1 2 260.301 1.068 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCCNc1cccc[nH+]1 ZINC000253381051 131141951 /nfs/dbraw/zinc/14/19/51/131141951.db2.gz CNFQELDPGJYIQI-LBPRGKRZSA-N 1 2 263.341 1.591 20 30 CDEDLO CN(CC[NH+]1CCOCC1)c1cccc(F)c1C#N ZINC000264104267 131395439 /nfs/dbraw/zinc/39/54/39/131395439.db2.gz PSJFLWGGYRJUEF-UHFFFAOYSA-N 1 2 263.316 1.466 20 30 CDEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000459450056 392438834 /nfs/dbraw/zinc/43/88/34/392438834.db2.gz YAJHPOXHSZBDBD-JSGCOSHPSA-N 1 2 291.307 1.096 20 30 CDEDLO N#Cc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000548639418 392499142 /nfs/dbraw/zinc/49/91/42/392499142.db2.gz NNICYDHZKPCDLC-CYBMUJFWSA-N 1 2 266.304 1.500 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)c2cccc(F)c2C#N)CCO1 ZINC000548632904 392500320 /nfs/dbraw/zinc/50/03/20/392500320.db2.gz LNABUYAENPDHNJ-NSHDSACASA-N 1 2 291.326 1.148 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)c2cccc(F)c2C#N)CCO1 ZINC000548632904 392500326 /nfs/dbraw/zinc/50/03/26/392500326.db2.gz LNABUYAENPDHNJ-NSHDSACASA-N 1 2 291.326 1.148 20 30 CDEDLO Cc1cc(N[C@@H]2CC(=O)N3CCCC[C@H]23)c(C#N)c[nH+]1 ZINC000521033583 392863121 /nfs/dbraw/zinc/86/31/21/392863121.db2.gz MZRWXNMOUVRHJT-ZIAGYGMSSA-N 1 2 270.336 1.249 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000268839407 132074476 /nfs/dbraw/zinc/07/44/76/132074476.db2.gz QFGMNIQBDAFLLL-UHFFFAOYSA-N 1 2 298.346 1.766 20 30 CDEDLO C=CCOCCCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000268993004 132097063 /nfs/dbraw/zinc/09/70/63/132097063.db2.gz PAWAQIWBJDCHMD-UHFFFAOYSA-N 1 2 265.357 1.714 20 30 CDEDLO Cc1cc(NCCC2(O)CCOCC2)c(C#N)c[nH+]1 ZINC000425249079 393003475 /nfs/dbraw/zinc/00/34/75/393003475.db2.gz BRTLSNDTGHRIIR-UHFFFAOYSA-N 1 2 261.325 1.027 20 30 CDEDLO CCCN1C[C@@H](CNc2cc(C)[nH+]cc2C#N)CC1=O ZINC000425267019 393010046 /nfs/dbraw/zinc/01/00/46/393010046.db2.gz KJDNYNHLNUJLHR-GFCCVEGCSA-N 1 2 272.352 1.354 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000649222698 393077585 /nfs/dbraw/zinc/07/75/85/393077585.db2.gz NGDXGQKFXYZYBL-MCIONIFRSA-N 1 2 287.363 1.368 20 30 CDEDLO Cn1cc(C[N@@H+]2CCCC[C@H]2CS(C)(=O)=O)cc1C#N ZINC000449548126 393133463 /nfs/dbraw/zinc/13/34/63/393133463.db2.gz ZMSPMZMJIWICRX-ZDUSSCGKSA-N 1 2 295.408 1.296 20 30 CDEDLO Cn1cc(C[N@H+]2CCCC[C@H]2CS(C)(=O)=O)cc1C#N ZINC000449548126 393133465 /nfs/dbraw/zinc/13/34/65/393133465.db2.gz ZMSPMZMJIWICRX-ZDUSSCGKSA-N 1 2 295.408 1.296 20 30 CDEDLO N#Cc1ccnc(N2CC[NH+](Cc3cncc(F)c3)CC2)c1 ZINC000275111145 135104234 /nfs/dbraw/zinc/10/42/34/135104234.db2.gz GITYTSNWBZWCIW-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1cc(C#N)cs1 ZINC000188914806 140104377 /nfs/dbraw/zinc/10/43/77/140104377.db2.gz FUFAUOVKSAIWMP-CYBMUJFWSA-N 1 2 277.393 1.966 20 30 CDEDLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000188914806 140104379 /nfs/dbraw/zinc/10/43/79/140104379.db2.gz FUFAUOVKSAIWMP-CYBMUJFWSA-N 1 2 277.393 1.966 20 30 CDEDLO Cn1cc(CNc2ccc(N3CCOCC3)[nH+]c2)cc1C#N ZINC000189585253 140120651 /nfs/dbraw/zinc/12/06/51/140120651.db2.gz PVUBUPPLTARMQW-UHFFFAOYSA-N 1 2 297.362 1.740 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC)C[C@@H](C)O1 ZINC000253339869 140332914 /nfs/dbraw/zinc/33/29/14/140332914.db2.gz APGQWOXCTRFLTR-DOMZBBRYSA-N 1 2 290.363 1.803 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC)C[C@@H](C)O1 ZINC000253339869 140332915 /nfs/dbraw/zinc/33/29/15/140332915.db2.gz APGQWOXCTRFLTR-DOMZBBRYSA-N 1 2 290.363 1.803 20 30 CDEDLO N#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)s1 ZINC000343368753 152142638 /nfs/dbraw/zinc/14/26/38/152142638.db2.gz XGLMIQIGCRFLRK-NSHDSACASA-N 1 2 291.376 1.213 20 30 CDEDLO N#Cc1ccc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)s1 ZINC000343368753 152142640 /nfs/dbraw/zinc/14/26/40/152142640.db2.gz XGLMIQIGCRFLRK-NSHDSACASA-N 1 2 291.376 1.213 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@@H](C)[S@](=O)CC2)cc1C#N ZINC000277159843 286307631 /nfs/dbraw/zinc/30/76/31/286307631.db2.gz KCXILCHZFGWNBB-MPBGBICISA-N 1 2 292.404 1.910 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@@H](C)[S@](=O)CC2)cc1C#N ZINC000277159843 286307632 /nfs/dbraw/zinc/30/76/32/286307632.db2.gz KCXILCHZFGWNBB-MPBGBICISA-N 1 2 292.404 1.910 20 30 CDEDLO Cn1ncc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1C#N ZINC000355440025 157055491 /nfs/dbraw/zinc/05/54/91/157055491.db2.gz GREABRRTSPIVSM-NSHDSACASA-N 1 2 284.323 1.382 20 30 CDEDLO N#Cc1cccc(NC(=O)COc2cc[nH+]cc2)c1 ZINC000356086355 157348425 /nfs/dbraw/zinc/34/84/25/157348425.db2.gz BYGKJUSXCBZGAD-UHFFFAOYSA-N 1 2 253.261 1.971 20 30 CDEDLO C=CCN(C(=O)N[C@H](C)Cn1cc[nH+]c1)[C@H](C)COC ZINC000656541592 413396485 /nfs/dbraw/zinc/39/64/85/413396485.db2.gz PVPSCHDFFYETKM-CHWSQXEVSA-N 1 2 280.372 1.504 20 30 CDEDLO COCCOCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000372346663 160109585 /nfs/dbraw/zinc/10/95/85/160109585.db2.gz OBZYCVQNTLSUCW-INIZCTEOSA-N 1 2 290.363 1.595 20 30 CDEDLO COCCOCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000372346663 160109586 /nfs/dbraw/zinc/10/95/86/160109586.db2.gz OBZYCVQNTLSUCW-INIZCTEOSA-N 1 2 290.363 1.595 20 30 CDEDLO C=CC[N@H+](Cc1nnc(C2CC2)o1)[C@H](C)COC ZINC000661244557 413916741 /nfs/dbraw/zinc/91/67/41/413916741.db2.gz VAYNYMBSDGVEEZ-SNVBAGLBSA-N 1 2 251.330 1.970 20 30 CDEDLO C=CC[N@@H+](Cc1nnc(C2CC2)o1)[C@H](C)COC ZINC000661244557 413916743 /nfs/dbraw/zinc/91/67/43/413916743.db2.gz VAYNYMBSDGVEEZ-SNVBAGLBSA-N 1 2 251.330 1.970 20 30 CDEDLO C=CCCn1cc(CNC[C@@H](c2ccco2)[NH+](C)C)nn1 ZINC000657291438 414122816 /nfs/dbraw/zinc/12/28/16/414122816.db2.gz SWFQBUUFOMYMGO-AWEZNQCLSA-N 1 2 289.383 1.840 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2cnn(C)c2C)nn1 ZINC000657418969 414307621 /nfs/dbraw/zinc/30/76/21/414307621.db2.gz HWHKSEWNPXMXFT-UHFFFAOYSA-N 1 2 260.345 1.186 20 30 CDEDLO C#CCNC(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000040059674 174185539 /nfs/dbraw/zinc/18/55/39/174185539.db2.gz GHXFWIVHGYEWAW-UHFFFAOYSA-N 1 2 252.264 1.146 20 30 CDEDLO C#CCNC(=O)C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000040059674 174185540 /nfs/dbraw/zinc/18/55/40/174185540.db2.gz GHXFWIVHGYEWAW-UHFFFAOYSA-N 1 2 252.264 1.146 20 30 CDEDLO CC(C)(C)OC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000078638286 177363184 /nfs/dbraw/zinc/36/31/84/177363184.db2.gz STVDGCPXJKGMOK-UHFFFAOYSA-N 1 2 283.372 1.469 20 30 CDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000329062161 227279049 /nfs/dbraw/zinc/27/90/49/227279049.db2.gz JYNZUHYPAIKNED-AGIUHOORSA-N 1 2 281.400 1.684 20 30 CDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000329062161 227279054 /nfs/dbraw/zinc/27/90/54/227279054.db2.gz JYNZUHYPAIKNED-AGIUHOORSA-N 1 2 281.400 1.684 20 30 CDEDLO O=C(NC1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1)C1CC1 ZINC000330317220 228139706 /nfs/dbraw/zinc/13/97/06/228139706.db2.gz QHUAIQZIOMLILY-NSHDSACASA-N 1 2 288.351 1.023 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccccc1C#N ZINC000034674311 259998154 /nfs/dbraw/zinc/99/81/54/259998154.db2.gz VPZPSPZMMJPUQD-ZDUSSCGKSA-N 1 2 259.309 1.143 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccccc1C#N ZINC000034674311 259998156 /nfs/dbraw/zinc/99/81/56/259998156.db2.gz VPZPSPZMMJPUQD-ZDUSSCGKSA-N 1 2 259.309 1.143 20 30 CDEDLO C=CCNC(=O)CN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000106369901 260131882 /nfs/dbraw/zinc/13/18/82/260131882.db2.gz ZSLOESWETULUAR-UHFFFAOYSA-N 1 2 276.384 1.204 20 30 CDEDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(C#N)cn1)C[C@@H](C)O2 ZINC000517754390 260163956 /nfs/dbraw/zinc/16/39/56/260163956.db2.gz BGIUMVKAJZIUSB-XJKCOSOUSA-N 1 2 287.363 1.722 20 30 CDEDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(C#N)cn1)C[C@@H](C)O2 ZINC000517754390 260163958 /nfs/dbraw/zinc/16/39/58/260163958.db2.gz BGIUMVKAJZIUSB-XJKCOSOUSA-N 1 2 287.363 1.722 20 30 CDEDLO C#CC[NH+](CC#C)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000491778990 262037450 /nfs/dbraw/zinc/03/74/50/262037450.db2.gz ZACWKMALPKWPSX-HNNXBMFYSA-N 1 2 270.307 1.499 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccccc2)C1 ZINC000364587694 262254232 /nfs/dbraw/zinc/25/42/32/262254232.db2.gz NCMUYNPNNBOVEP-CYBMUJFWSA-N 1 2 278.377 1.063 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccccc2)C1 ZINC000364587694 262254234 /nfs/dbraw/zinc/25/42/34/262254234.db2.gz NCMUYNPNNBOVEP-CYBMUJFWSA-N 1 2 278.377 1.063 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000354889294 262321861 /nfs/dbraw/zinc/32/18/61/262321861.db2.gz RFGOHYAGSWGXJE-GHMZBOCLSA-N 1 2 275.274 1.819 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000354889294 262321862 /nfs/dbraw/zinc/32/18/62/262321862.db2.gz RFGOHYAGSWGXJE-GHMZBOCLSA-N 1 2 275.274 1.819 20 30 CDEDLO Cc1cc(C)c(NC(=O)C(=O)N(C)[C@H](C)CC#N)c(C)[nH+]1 ZINC000411395937 262691529 /nfs/dbraw/zinc/69/15/29/262691529.db2.gz IVNIUXNXLHMCAT-LLVKDONJSA-N 1 2 288.351 1.706 20 30 CDEDLO CCN1CC[N@H+](Cc2ccc(OCC#N)cc2)CC1=O ZINC000273433029 263016821 /nfs/dbraw/zinc/01/68/21/263016821.db2.gz LVRJOIYOJOMOJS-UHFFFAOYSA-N 1 2 273.336 1.253 20 30 CDEDLO CCN1CC[N@@H+](Cc2ccc(OCC#N)cc2)CC1=O ZINC000273433029 263016822 /nfs/dbraw/zinc/01/68/22/263016822.db2.gz LVRJOIYOJOMOJS-UHFFFAOYSA-N 1 2 273.336 1.253 20 30 CDEDLO N#CC1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000277483417 263041460 /nfs/dbraw/zinc/04/14/60/263041460.db2.gz PVAMGHCUPPXZQL-UHFFFAOYSA-N 1 2 273.340 1.053 20 30 CDEDLO N#CC1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000277483417 263041461 /nfs/dbraw/zinc/04/14/61/263041461.db2.gz PVAMGHCUPPXZQL-UHFFFAOYSA-N 1 2 273.340 1.053 20 30 CDEDLO CCc1cc(N)nc(SCC(=O)N(CC)CCC#N)[nH+]1 ZINC000279056121 263052729 /nfs/dbraw/zinc/05/27/29/263052729.db2.gz HYUIPAQUUYTQFN-UHFFFAOYSA-N 1 2 293.396 1.475 20 30 CDEDLO Cc1c(CO[NH+]=C(N)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000284083528 263085707 /nfs/dbraw/zinc/08/57/07/263085707.db2.gz KPSPSGAPUJBCAK-GFCCVEGCSA-N 1 2 279.296 1.871 20 30 CDEDLO N#CCc1ccc(C(=O)NCCNc2cccc[nH+]2)cc1 ZINC000340491512 263172097 /nfs/dbraw/zinc/17/20/97/263172097.db2.gz QTNURMWLQONBNT-UHFFFAOYSA-N 1 2 280.331 1.990 20 30 CDEDLO CCCN(CC#N)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000299114429 263231222 /nfs/dbraw/zinc/23/12/22/263231222.db2.gz AJGKTAKYNDUCPV-UHFFFAOYSA-N 1 2 256.309 1.639 20 30 CDEDLO CCOC(=O)[C@H](NC(=O)c1c[nH+]c(C)[nH]1)[C@H]1CCCOC1 ZINC000330768395 264033392 /nfs/dbraw/zinc/03/33/92/264033392.db2.gz MEOKNLFNPRULDT-CMPLNLGQSA-N 1 2 295.339 1.381 20 30 CDEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)Nc1nccs1 ZINC000330833140 264050349 /nfs/dbraw/zinc/05/03/49/264050349.db2.gz KNWIPUVMIHQKIP-IVZWLZJFSA-N 1 2 264.354 1.752 20 30 CDEDLO C[C@H](CC[NH+](C)C)NC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000330856621 264054582 /nfs/dbraw/zinc/05/45/82/264054582.db2.gz IJIWJDSDYCPWGI-SECBINFHSA-N 1 2 299.444 1.924 20 30 CDEDLO Cc1oc(NC(=O)C[NH2+][C@@H]2CCC[C@H]2C#N)c(C#N)c1C ZINC000331359723 264209161 /nfs/dbraw/zinc/20/91/61/264209161.db2.gz WWDXUKLVLLCHPA-WCQYABFASA-N 1 2 286.335 1.989 20 30 CDEDLO C=CC[C@H](C)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660681574 423780760 /nfs/dbraw/zinc/78/07/60/423780760.db2.gz QPGWMGHHXDHQRF-QWHCGFSZSA-N 1 2 267.373 1.067 20 30 CDEDLO C=CCCNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000664228280 424185401 /nfs/dbraw/zinc/18/54/01/424185401.db2.gz PKIHUDSNYPEUIW-GFCCVEGCSA-N 1 2 262.357 1.816 20 30 CDEDLO C=CCCNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000664228280 424185409 /nfs/dbraw/zinc/18/54/09/424185409.db2.gz PKIHUDSNYPEUIW-GFCCVEGCSA-N 1 2 262.357 1.816 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000357375934 266286190 /nfs/dbraw/zinc/28/61/90/266286190.db2.gz PIETWIGQLIMAEL-ZDUSSCGKSA-N 1 2 281.400 1.010 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000357375934 266286195 /nfs/dbraw/zinc/28/61/95/266286195.db2.gz PIETWIGQLIMAEL-ZDUSSCGKSA-N 1 2 281.400 1.010 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000362798579 267047212 /nfs/dbraw/zinc/04/72/12/267047212.db2.gz QZVRWHGAYUVUHF-ZFWWWQNUSA-N 1 2 289.379 1.745 20 30 CDEDLO C=CCOCCCC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000363262400 267082861 /nfs/dbraw/zinc/08/28/61/267082861.db2.gz BJQJEGMKXNYWDF-UHFFFAOYSA-N 1 2 291.395 1.861 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1ccc(C#N)cc1 ZINC000493201956 267282327 /nfs/dbraw/zinc/28/23/27/267282327.db2.gz GWGKBURUEWGUGB-HLRDLLSLSA-N 1 2 282.347 1.532 20 30 CDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C#Cc1ccccc1 ZINC000287419616 278015603 /nfs/dbraw/zinc/01/56/03/278015603.db2.gz QFNANKYNRHTSAS-WBVHZDCISA-N 1 2 298.386 1.360 20 30 CDEDLO CC1(C)C[N@H+](CC(=O)NCC#N)Cc2ccccc2O1 ZINC000344133733 281232330 /nfs/dbraw/zinc/23/23/30/281232330.db2.gz XPIXZMKZPQSDIC-UHFFFAOYSA-N 1 2 273.336 1.299 20 30 CDEDLO CC1(C)C[N@@H+](CC(=O)NCC#N)Cc2ccccc2O1 ZINC000344133733 281232331 /nfs/dbraw/zinc/23/23/31/281232331.db2.gz XPIXZMKZPQSDIC-UHFFFAOYSA-N 1 2 273.336 1.299 20 30 CDEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1ccc(C#N)cc1 ZINC000291485856 289047626 /nfs/dbraw/zinc/04/76/26/289047626.db2.gz QQSPDIOZTREIMM-CZUORRHYSA-N 1 2 299.374 1.493 20 30 CDEDLO Cc1nnc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)cc2)o1 ZINC000543547186 289597875 /nfs/dbraw/zinc/59/78/75/289597875.db2.gz CXEMLJLUSQVOQM-SNVBAGLBSA-N 1 2 299.334 1.929 20 30 CDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@]3(C#N)CC34CCCC4)C[C@@H]21 ZINC000333037930 290094948 /nfs/dbraw/zinc/09/49/48/290094948.db2.gz DNAXFNDBBCIAPW-WOSRLPQWSA-N 1 2 289.379 1.002 20 30 CDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)[C@]3(C#N)CC34CCCC4)C[C@@H]21 ZINC000333037930 290094950 /nfs/dbraw/zinc/09/49/50/290094950.db2.gz DNAXFNDBBCIAPW-WOSRLPQWSA-N 1 2 289.379 1.002 20 30 CDEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cccc(C#N)c1F ZINC000352859450 290209407 /nfs/dbraw/zinc/20/94/07/290209407.db2.gz RYQMXQRYRLGSLR-MNOVXSKESA-N 1 2 298.383 1.951 20 30 CDEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000352859450 290209410 /nfs/dbraw/zinc/20/94/10/290209410.db2.gz RYQMXQRYRLGSLR-MNOVXSKESA-N 1 2 298.383 1.951 20 30 CDEDLO C[C@H](c1cccnc1)[NH+]1CCN(c2nccnc2C#N)CC1 ZINC000265137772 290271846 /nfs/dbraw/zinc/27/18/46/290271846.db2.gz PGZMQKMNKCMYHQ-CYBMUJFWSA-N 1 2 294.362 1.626 20 30 CDEDLO COC(=O)C[N@H+](Cc1cc(C#N)n(C)c1)C1CCOCC1 ZINC000569057798 294147395 /nfs/dbraw/zinc/14/73/95/294147395.db2.gz MVQXPWDJMACPMY-UHFFFAOYSA-N 1 2 291.351 1.051 20 30 CDEDLO COC(=O)C[N@@H+](Cc1cc(C#N)n(C)c1)C1CCOCC1 ZINC000569057798 294147397 /nfs/dbraw/zinc/14/73/97/294147397.db2.gz MVQXPWDJMACPMY-UHFFFAOYSA-N 1 2 291.351 1.051 20 30 CDEDLO C[C@@H]1CCN(c2ncncc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000574562776 295018343 /nfs/dbraw/zinc/01/83/43/295018343.db2.gz XYGABGTWQGTMQY-DGCLKSJQSA-N 1 2 268.324 1.632 20 30 CDEDLO CC(C)c1ccoc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000580333518 327891486 /nfs/dbraw/zinc/89/14/86/327891486.db2.gz VNRZEBMKMLKQKW-AWEZNQCLSA-N 1 2 263.341 1.977 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1nc2cccnc2s1 ZINC000563220803 327979701 /nfs/dbraw/zinc/97/97/01/327979701.db2.gz VRFKLRYEWBHFHN-CYBMUJFWSA-N 1 2 289.364 1.265 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000412434900 328110347 /nfs/dbraw/zinc/11/03/47/328110347.db2.gz JYAJWEKWKRDKMJ-INIZCTEOSA-N 1 2 298.427 1.394 20 30 CDEDLO Cc1cc(N2CCC[C@@H](S(C)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000399525271 323886012 /nfs/dbraw/zinc/88/60/12/323886012.db2.gz RYIMAYJLIFOCHU-GFCCVEGCSA-N 1 2 279.365 1.275 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)nc1 ZINC000579124762 324113410 /nfs/dbraw/zinc/11/34/10/324113410.db2.gz SAVYEYGFHFKGJW-LLVKDONJSA-N 1 2 267.279 1.403 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)nc1 ZINC000579124762 324113414 /nfs/dbraw/zinc/11/34/14/324113414.db2.gz SAVYEYGFHFKGJW-LLVKDONJSA-N 1 2 267.279 1.403 20 30 CDEDLO CC(=O)N1C[C@@H]2CCC[C@@H](Nc3cc(C)[nH+]cc3C#N)[C@@H]2C1 ZINC000580948454 324605477 /nfs/dbraw/zinc/60/54/77/324605477.db2.gz DXOPEZJJZSPLBZ-NUEKZKHPSA-N 1 2 298.390 1.743 20 30 CDEDLO COc1ccc(O)c(/C=[NH+]\CCCN2CCOC2=O)c1 ZINC000255843339 327020526 /nfs/dbraw/zinc/02/05/26/327020526.db2.gz KIPDXJJSVXDVRL-GDNBJRDFSA-N 1 2 278.308 1.662 20 30 CDEDLO C#CCCS(=O)(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000377400581 329014131 /nfs/dbraw/zinc/01/41/31/329014131.db2.gz PUDDWYSDVCVAND-CQSZACIVSA-N 1 2 278.377 1.116 20 30 CDEDLO C#CCCS(=O)(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000377400581 329014133 /nfs/dbraw/zinc/01/41/33/329014133.db2.gz PUDDWYSDVCVAND-CQSZACIVSA-N 1 2 278.377 1.116 20 30 CDEDLO C=CCN(CCOC)C(=O)NCCCNc1cccc[nH+]1 ZINC000191102529 329407973 /nfs/dbraw/zinc/40/79/73/329407973.db2.gz XBHWGNJIRODTAD-UHFFFAOYSA-N 1 2 292.383 1.728 20 30 CDEDLO C#CC[N@H+](C1CC1)[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000279012728 330121410 /nfs/dbraw/zinc/12/14/10/330121410.db2.gz APSGCAYJAHAJBY-OAHLLOKOSA-N 1 2 284.359 1.898 20 30 CDEDLO C#CC[N@@H+](C1CC1)[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000279012728 330121411 /nfs/dbraw/zinc/12/14/11/330121411.db2.gz APSGCAYJAHAJBY-OAHLLOKOSA-N 1 2 284.359 1.898 20 30 CDEDLO N#CCC[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)CC1CC1 ZINC000081514666 330212644 /nfs/dbraw/zinc/21/26/44/330212644.db2.gz LHEGXFXMMIVFNE-UHFFFAOYSA-N 1 2 271.324 1.148 20 30 CDEDLO N#CCC[N@H+](Cc1cc(=O)n2[nH]ccc2n1)CC1CC1 ZINC000081514666 330212646 /nfs/dbraw/zinc/21/26/46/330212646.db2.gz LHEGXFXMMIVFNE-UHFFFAOYSA-N 1 2 271.324 1.148 20 30 CDEDLO C=CCNC(=O)C[NH+]1CCN(C/C=C(/C)Cl)CC1 ZINC000528339281 330319471 /nfs/dbraw/zinc/31/94/71/330319471.db2.gz OVVSIKZFOQHLDJ-QCDXTXTGSA-N 1 2 271.792 1.049 20 30 CDEDLO C=CCNC(=O)CN1CC[NH+](C/C=C(/C)Cl)CC1 ZINC000528339281 330319472 /nfs/dbraw/zinc/31/94/72/330319472.db2.gz OVVSIKZFOQHLDJ-QCDXTXTGSA-N 1 2 271.792 1.049 20 30 CDEDLO CCc1ncsc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000515352876 330475871 /nfs/dbraw/zinc/47/58/71/330475871.db2.gz RSZSJPDBULDSEW-LBPRGKRZSA-N 1 2 266.370 1.279 20 30 CDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000448645618 330757520 /nfs/dbraw/zinc/75/75/20/330757520.db2.gz AJVCZVSGUKTIIU-CJNGLKHVSA-N 1 2 284.363 1.276 20 30 CDEDLO CCC[N@H+](CC1(C#N)CCC1)[C@H]1CC(=O)N(C)C1=O ZINC000450947284 331008414 /nfs/dbraw/zinc/00/84/14/331008414.db2.gz YURXINJWEDLBRH-NSHDSACASA-N 1 2 263.341 1.150 20 30 CDEDLO CCC[N@@H+](CC1(C#N)CCC1)[C@H]1CC(=O)N(C)C1=O ZINC000450947284 331008415 /nfs/dbraw/zinc/00/84/15/331008415.db2.gz YURXINJWEDLBRH-NSHDSACASA-N 1 2 263.341 1.150 20 30 CDEDLO C=C(C)CCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000454865637 331155194 /nfs/dbraw/zinc/15/51/94/331155194.db2.gz OWSLAYVXZWVTBT-UHFFFAOYSA-N 1 2 267.373 1.117 20 30 CDEDLO C=C(C)CCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000455318157 331165906 /nfs/dbraw/zinc/16/59/06/331165906.db2.gz YGTYSUIPUQXVNP-UHFFFAOYSA-N 1 2 274.368 1.879 20 30 CDEDLO C=C(CC)CNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000455557423 331172963 /nfs/dbraw/zinc/17/29/63/331172963.db2.gz LNURNMJHAKFPBI-UHFFFAOYSA-N 1 2 288.395 1.875 20 30 CDEDLO C=C(C)CCNC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000456116980 331184552 /nfs/dbraw/zinc/18/45/52/331184552.db2.gz FTDSHLVGBNADMY-ZIAGYGMSSA-N 1 2 268.401 1.958 20 30 CDEDLO C=C(C)CCNC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000456116980 331184553 /nfs/dbraw/zinc/18/45/53/331184553.db2.gz FTDSHLVGBNADMY-ZIAGYGMSSA-N 1 2 268.401 1.958 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456355590 331190717 /nfs/dbraw/zinc/19/07/17/331190717.db2.gz ATLQMAGNANCQKJ-UTUOFQBUSA-N 1 2 263.341 1.986 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000456777610 331203087 /nfs/dbraw/zinc/20/30/87/331203087.db2.gz NHJHZJOJBVNOMV-INIZCTEOSA-N 1 2 299.374 1.988 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000459066754 331268824 /nfs/dbraw/zinc/26/88/24/331268824.db2.gz VAGUXYVXJSHDOL-VXGBXAGGSA-N 1 2 280.372 1.590 20 30 CDEDLO C#C[C@H](NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)C(C)C ZINC000490974807 332135085 /nfs/dbraw/zinc/13/50/85/332135085.db2.gz QPQRNYIXJJIBMW-MJBXVCDLSA-N 1 2 281.400 1.053 20 30 CDEDLO C#CCN(Cc1ccccc1)C(=O)Cc1c[nH+]cn1C ZINC000491097177 332149392 /nfs/dbraw/zinc/14/93/92/332149392.db2.gz ZYGCARIKCBKRCO-UHFFFAOYSA-N 1 2 267.332 1.625 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000491277736 332179547 /nfs/dbraw/zinc/17/95/47/332179547.db2.gz PQOOTUCXACALFU-CHWSQXEVSA-N 1 2 274.368 1.732 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](O)[C@H](C)c1ccccc1 ZINC000491338118 332192295 /nfs/dbraw/zinc/19/22/95/332192295.db2.gz GGBLASPKRNRRQY-BMFZPTHFSA-N 1 2 259.349 1.485 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](O)[C@H](C)c1ccccc1 ZINC000491338118 332192297 /nfs/dbraw/zinc/19/22/97/332192297.db2.gz GGBLASPKRNRRQY-BMFZPTHFSA-N 1 2 259.349 1.485 20 30 CDEDLO C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000491651288 332264876 /nfs/dbraw/zinc/26/48/76/332264876.db2.gz FYMCXKNGWFAXGT-NSHDSACASA-N 1 2 298.346 1.348 20 30 CDEDLO C#CCN(CC#CC)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000491808612 332361767 /nfs/dbraw/zinc/36/17/67/332361767.db2.gz WMOPGUUMNPEMMD-UHFFFAOYSA-N 1 2 297.358 1.430 20 30 CDEDLO N#CCN1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000494956152 332494675 /nfs/dbraw/zinc/49/46/75/332494675.db2.gz SZPYSIMSNRFYLM-UHFFFAOYSA-N 1 2 262.382 1.662 20 30 CDEDLO CC(C)(C)OC(=O)N1CC[C@H](C=[NH+]n2ccnn2)C1 ZINC000495924816 332533964 /nfs/dbraw/zinc/53/39/64/332533964.db2.gz WPJIUBLHCDCFEA-SNVBAGLBSA-N 1 2 265.317 1.369 20 30 CDEDLO CN(C)C(=O)OC1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000497117814 332570518 /nfs/dbraw/zinc/57/05/18/332570518.db2.gz QIQMAMLSUWVROK-LBPRGKRZSA-N 1 2 278.356 1.593 20 30 CDEDLO C[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H](CO)O1 ZINC000190146265 333203708 /nfs/dbraw/zinc/20/37/08/333203708.db2.gz QRFGENAVAAENMG-SWLSCSKDSA-N 1 2 279.767 1.773 20 30 CDEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H](CO)O1 ZINC000190146265 333203709 /nfs/dbraw/zinc/20/37/09/333203709.db2.gz QRFGENAVAAENMG-SWLSCSKDSA-N 1 2 279.767 1.773 20 30 CDEDLO C=CCSCCNC(=O)NCCCn1cc[nH+]c1 ZINC000194614055 333273238 /nfs/dbraw/zinc/27/32/38/333273238.db2.gz UOKSFZGFWXNNTP-UHFFFAOYSA-N 1 2 268.386 1.492 20 30 CDEDLO CC(=O)c1csc(C(=O)NC2(C#N)CC[NH+](C)CC2)c1 ZINC000524686686 333371388 /nfs/dbraw/zinc/37/13/88/333371388.db2.gz GDRSYYUXNQXEKO-UHFFFAOYSA-N 1 2 291.376 1.668 20 30 CDEDLO CCC(CC)[C@H](C(=O)NC[C@@H](C)C#N)[NH+]1CCOCC1 ZINC000173647535 335137450 /nfs/dbraw/zinc/13/74/50/335137450.db2.gz RHHZJDXBQFQPLN-GXTWGEPZSA-N 1 2 281.400 1.399 20 30 CDEDLO N#CCC[N@@H+](CC(=O)NC(C1CC1)C1CC1)CC1CC1 ZINC000081044254 334177154 /nfs/dbraw/zinc/17/71/54/334177154.db2.gz KKRNRGIMCCYVMX-UHFFFAOYSA-N 1 2 275.396 1.917 20 30 CDEDLO N#CCC[N@H+](CC(=O)NC(C1CC1)C1CC1)CC1CC1 ZINC000081044254 334177155 /nfs/dbraw/zinc/17/71/55/334177155.db2.gz KKRNRGIMCCYVMX-UHFFFAOYSA-N 1 2 275.396 1.917 20 30 CDEDLO COCCO[C@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000245818208 334220510 /nfs/dbraw/zinc/22/05/10/334220510.db2.gz DKZBLBWXJYBDHV-KGLIPLIRSA-N 1 2 265.357 1.557 20 30 CDEDLO COCCO[C@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000245818208 334220512 /nfs/dbraw/zinc/22/05/12/334220512.db2.gz DKZBLBWXJYBDHV-KGLIPLIRSA-N 1 2 265.357 1.557 20 30 CDEDLO C=C(C)CN(CC)C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000551629631 334256403 /nfs/dbraw/zinc/25/64/03/334256403.db2.gz UNRLPPYZOBRYOB-UHFFFAOYSA-N 1 2 292.383 1.204 20 30 CDEDLO C[C@H]1CCc2onc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c2C1 ZINC000566309726 334642150 /nfs/dbraw/zinc/64/21/50/334642150.db2.gz SDJSZDPISZSOSY-BONVTDFDSA-N 1 2 290.367 1.373 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CCc2ccccc2C1 ZINC000568888832 334845427 /nfs/dbraw/zinc/84/54/27/334845427.db2.gz FUVXLZJWVIFARN-WBVHZDCISA-N 1 2 285.391 1.752 20 30 CDEDLO Cc1ccsc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000580686101 335322339 /nfs/dbraw/zinc/32/23/39/335322339.db2.gz OXQSFJSYUSRGCI-LBPRGKRZSA-N 1 2 251.355 1.630 20 30 CDEDLO CC(C)c1ncc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)s1 ZINC000577582576 335373189 /nfs/dbraw/zinc/37/31/89/335373189.db2.gz OPHXNXPYNCLQEQ-ZDUSSCGKSA-N 1 2 280.397 1.840 20 30 CDEDLO C=C[C@@](C)(O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000666640880 482834915 /nfs/dbraw/zinc/83/49/15/482834915.db2.gz YOYSXFPXQCOXPF-MRXNPFEDSA-N 1 2 289.379 1.625 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccns1 ZINC001483344548 1160909665 /nfs/dbraw/zinc/90/96/65/1160909665.db2.gz UPBXDSVOOTXODG-SECBINFHSA-N 1 2 273.789 1.946 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccns1 ZINC001483344548 1160909668 /nfs/dbraw/zinc/90/96/68/1160909668.db2.gz UPBXDSVOOTXODG-SECBINFHSA-N 1 2 273.789 1.946 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cc(C3CC3)no2)C1 ZINC001030429169 1161011014 /nfs/dbraw/zinc/01/10/14/1161011014.db2.gz SOJMFEUBCPMUIQ-UHFFFAOYSA-N 1 2 275.352 1.471 20 30 CDEDLO C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001754915100 1185762905 /nfs/dbraw/zinc/76/29/05/1185762905.db2.gz CKLNKEOIOIYVRK-VHSXEESVSA-N 1 2 280.265 1.348 20 30 CDEDLO N#CCc1ccnc(NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC000565616750 518196348 /nfs/dbraw/zinc/19/63/48/518196348.db2.gz QBZXUZUQQLWAIK-UHFFFAOYSA-N 1 2 255.281 1.442 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](CC(C)C)OC)CC1 ZINC001113317916 1162153215 /nfs/dbraw/zinc/15/32/15/1162153215.db2.gz HCODPKHZTYXYQT-CYBMUJFWSA-N 1 2 254.374 1.378 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@H](C2CC2)O1 ZINC000366343330 524933167 /nfs/dbraw/zinc/93/31/67/524933167.db2.gz SDWZPIJJRIKLCE-MLGOLLRUSA-N 1 2 299.374 1.996 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@H](C2CC2)O1 ZINC000366343330 524933172 /nfs/dbraw/zinc/93/31/72/524933172.db2.gz SDWZPIJJRIKLCE-MLGOLLRUSA-N 1 2 299.374 1.996 20 30 CDEDLO C=CC[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000353799570 527029783 /nfs/dbraw/zinc/02/97/83/527029783.db2.gz PQXQALXYDHWZMH-OCCSQVGLSA-N 1 2 266.385 1.711 20 30 CDEDLO C=CC[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000353799570 527029786 /nfs/dbraw/zinc/02/97/86/527029786.db2.gz PQXQALXYDHWZMH-OCCSQVGLSA-N 1 2 266.385 1.711 20 30 CDEDLO C#CCNC(=O)c1ccc(NCCc2cc[nH+]cc2C)nc1 ZINC000301851845 527036860 /nfs/dbraw/zinc/03/68/60/527036860.db2.gz PPAQRILWDVQPKQ-UHFFFAOYSA-N 1 2 294.358 1.803 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353673651 527179233 /nfs/dbraw/zinc/17/92/33/527179233.db2.gz HTWFNMYWCCMFMY-NSHDSACASA-N 1 2 274.324 1.640 20 30 CDEDLO C=CCn1cccc1C(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000347641052 527386282 /nfs/dbraw/zinc/38/62/82/527386282.db2.gz IEXVVIYOUUKLFL-AWEZNQCLSA-N 1 2 291.395 1.515 20 30 CDEDLO C=CCn1cccc1C(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000347641052 527386286 /nfs/dbraw/zinc/38/62/86/527386286.db2.gz IEXVVIYOUUKLFL-AWEZNQCLSA-N 1 2 291.395 1.515 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)c1ncc(C#N)cc1Cl ZINC000356796829 527509477 /nfs/dbraw/zinc/50/94/77/527509477.db2.gz CRDJPIJEFCRONR-UHFFFAOYSA-N 1 2 275.699 1.270 20 30 CDEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000331422304 527602378 /nfs/dbraw/zinc/60/23/78/527602378.db2.gz QMDTUKSMKGVYNC-GFCCVEGCSA-N 1 2 263.385 1.917 20 30 CDEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000331422304 527602381 /nfs/dbraw/zinc/60/23/81/527602381.db2.gz QMDTUKSMKGVYNC-GFCCVEGCSA-N 1 2 263.385 1.917 20 30 CDEDLO CCC[NH+]1CCC(NC(=O)CSc2n[nH]c(=O)[nH]2)CC1 ZINC000330102024 528180252 /nfs/dbraw/zinc/18/02/52/528180252.db2.gz FOMCGZSUTAOXSX-UHFFFAOYSA-N 1 2 299.400 1.433 20 30 CDEDLO CCN(CCC#N)C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000331949278 528370667 /nfs/dbraw/zinc/37/06/67/528370667.db2.gz KJYJARAEZNQFPR-AWEZNQCLSA-N 1 2 279.384 1.249 20 30 CDEDLO CCN(CCC#N)C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000331949278 528370670 /nfs/dbraw/zinc/37/06/70/528370670.db2.gz KJYJARAEZNQFPR-AWEZNQCLSA-N 1 2 279.384 1.249 20 30 CDEDLO CCOCC[NH+]1CCN(C(=O)[C@](C)(C#N)CC)CC1 ZINC000352723059 528745645 /nfs/dbraw/zinc/74/56/45/528745645.db2.gz GYICVSUJTYIGMI-AWEZNQCLSA-N 1 2 267.373 1.107 20 30 CDEDLO CC[C@@H](NC(=O)c1cc2n(n1)CCCO2)c1[nH]cc[nH+]1 ZINC000330349189 529266312 /nfs/dbraw/zinc/26/63/12/529266312.db2.gz JOAHJBOONMVWOC-SECBINFHSA-N 1 2 275.312 1.845 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000334710128 529347373 /nfs/dbraw/zinc/34/73/73/529347373.db2.gz HCQVGAHCAJGTMD-BXUZGUMPSA-N 1 2 260.341 1.676 20 30 CDEDLO C[C@H](NC(=O)N1CCn2cc[nH+]c2C1)[C@@H]1CCCCO1 ZINC000329384622 538563827 /nfs/dbraw/zinc/56/38/27/538563827.db2.gz RSDSOOAUBIOOMQ-RYUDHWBXSA-N 1 2 278.356 1.570 20 30 CDEDLO N#C[C@@H]1CCC[C@@H]1[NH+]=C([O-])N1CCn2c[nH+]cc2C1 ZINC000329657125 538609056 /nfs/dbraw/zinc/60/90/56/538609056.db2.gz MVDBCBMPYQIJCO-JQWIXIFHSA-N 1 2 259.313 1.305 20 30 CDEDLO CC[C@@H](C#N)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000726533572 574500042 /nfs/dbraw/zinc/50/00/42/574500042.db2.gz QBDWWKYWSQHXJZ-NSHDSACASA-N 1 2 255.281 1.299 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CCC[C@@H]2C2CC2)c1=S ZINC000728561119 574637890 /nfs/dbraw/zinc/63/78/90/574637890.db2.gz ZJWOFZUNBUUFDG-LLVKDONJSA-N 1 2 265.386 1.827 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CCC[C@@H]2C2CC2)c1=S ZINC000728561119 574637891 /nfs/dbraw/zinc/63/78/91/574637891.db2.gz ZJWOFZUNBUUFDG-LLVKDONJSA-N 1 2 265.386 1.827 20 30 CDEDLO C#CCNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000729575754 574816599 /nfs/dbraw/zinc/81/65/99/574816599.db2.gz KEPRQIPIDGXSLO-ZDUSSCGKSA-N 1 2 287.363 1.835 20 30 CDEDLO C#CCOc1ccccc1C[N@H+](C)CC(=O)N1CCCC1 ZINC000730379727 574933272 /nfs/dbraw/zinc/93/32/72/574933272.db2.gz VDQKLXMDKNOKOE-UHFFFAOYSA-N 1 2 286.375 1.753 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+](C)CC(=O)N1CCCC1 ZINC000730379727 574933275 /nfs/dbraw/zinc/93/32/75/574933275.db2.gz VDQKLXMDKNOKOE-UHFFFAOYSA-N 1 2 286.375 1.753 20 30 CDEDLO C=CCNC(=O)COC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000731913827 575070665 /nfs/dbraw/zinc/07/06/65/575070665.db2.gz IXCHJXQKSXLFEZ-UHFFFAOYSA-N 1 2 287.319 1.031 20 30 CDEDLO N#CCCN1CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC000760943033 576527866 /nfs/dbraw/zinc/52/78/66/576527866.db2.gz GQSDYGOGMUEGCR-UHFFFAOYSA-N 1 2 264.760 1.766 20 30 CDEDLO C[N@H+](Cc1cccc(C#N)c1F)[C@H]1CCCCNC1=O ZINC000774597059 575218655 /nfs/dbraw/zinc/21/86/55/575218655.db2.gz OGRSSEGYIWYWGB-ZDUSSCGKSA-N 1 2 275.327 1.798 20 30 CDEDLO C[N@@H+](Cc1cccc(C#N)c1F)[C@H]1CCCCNC1=O ZINC000774597059 575218657 /nfs/dbraw/zinc/21/86/57/575218657.db2.gz OGRSSEGYIWYWGB-ZDUSSCGKSA-N 1 2 275.327 1.798 20 30 CDEDLO N#Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000734507008 575352837 /nfs/dbraw/zinc/35/28/37/575352837.db2.gz KAWLJRJFVHQYCJ-MRXNPFEDSA-N 1 2 290.326 1.746 20 30 CDEDLO C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1O)[C@@H]1C[N@H+](C)CCO1 ZINC000769774342 575383097 /nfs/dbraw/zinc/38/30/97/575383097.db2.gz RNAJWTVHUPDVDK-GGKDXNKYSA-N 1 2 293.323 1.438 20 30 CDEDLO C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1O)[C@@H]1C[N@@H+](C)CCO1 ZINC000769774342 575383098 /nfs/dbraw/zinc/38/30/98/575383098.db2.gz RNAJWTVHUPDVDK-GGKDXNKYSA-N 1 2 293.323 1.438 20 30 CDEDLO N#CCc1cccc(C(=O)OCCn2cc[nH+]c2)c1 ZINC000771921076 575636161 /nfs/dbraw/zinc/63/61/61/575636161.db2.gz KMJRKPSBOJOUPW-UHFFFAOYSA-N 1 2 255.277 1.806 20 30 CDEDLO COc1cc(C#N)ccc1OCC[NH+]1CC(O)(C(C)C)C1 ZINC000773896052 575843936 /nfs/dbraw/zinc/84/39/36/575843936.db2.gz XDJDCRGRPKZFRG-UHFFFAOYSA-N 1 2 290.363 1.648 20 30 CDEDLO CC#CC(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000764471819 575912333 /nfs/dbraw/zinc/91/23/33/575912333.db2.gz NKBFLMBOHWOJIY-UHFFFAOYSA-N 1 2 272.348 1.804 20 30 CDEDLO N#Cc1c2c(cn(C[N@H+]3CC=CCC3)c1=O)CCC2 ZINC000766633777 576117570 /nfs/dbraw/zinc/11/75/70/576117570.db2.gz SJADDKOYHQJSLK-UHFFFAOYSA-N 1 2 255.321 1.428 20 30 CDEDLO N#Cc1c2c(cn(C[N@@H+]3CC=CCC3)c1=O)CCC2 ZINC000766633777 576117572 /nfs/dbraw/zinc/11/75/72/576117572.db2.gz SJADDKOYHQJSLK-UHFFFAOYSA-N 1 2 255.321 1.428 20 30 CDEDLO N#Cc1ccnc(NC(=O)c2cccc3[nH+]ccn32)c1 ZINC000766955321 576149905 /nfs/dbraw/zinc/14/99/05/576149905.db2.gz BJHGTUCDYSPELM-UHFFFAOYSA-N 1 2 263.260 1.853 20 30 CDEDLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCCC#N)o1 ZINC000767935926 576240142 /nfs/dbraw/zinc/24/01/42/576240142.db2.gz YEHFFDMKGRHFGP-CYBMUJFWSA-N 1 2 291.351 1.593 20 30 CDEDLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)NCCC#N)o1 ZINC000767935926 576240143 /nfs/dbraw/zinc/24/01/43/576240143.db2.gz YEHFFDMKGRHFGP-CYBMUJFWSA-N 1 2 291.351 1.593 20 30 CDEDLO Cc1nc(N2CCc3c(C#N)c(N)sc3C2)cc[nH+]1 ZINC000742257431 576593814 /nfs/dbraw/zinc/59/38/14/576593814.db2.gz XJOOPTSWYMQFSL-UHFFFAOYSA-N 1 2 271.349 1.863 20 30 CDEDLO N#Cc1ccccc1C=NNc1ccc(-n2cc[nH+]c2)nn1 ZINC000761838009 576596836 /nfs/dbraw/zinc/59/68/36/576596836.db2.gz UQYVLZDXXBMAEJ-UHFFFAOYSA-N 1 2 289.302 1.980 20 30 CDEDLO C=C(Cl)CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000762048258 576616168 /nfs/dbraw/zinc/61/61/68/576616168.db2.gz UKFIGZVJXLJIIH-UHFFFAOYSA-N 1 2 264.716 1.886 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnn(CC(C)C)c1 ZINC000742845394 576619692 /nfs/dbraw/zinc/61/96/92/576619692.db2.gz VDRQKIREVYNXTB-AWEZNQCLSA-N 1 2 274.368 1.575 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnn(CC(C)C)c1 ZINC000742845394 576619694 /nfs/dbraw/zinc/61/96/94/576619694.db2.gz VDRQKIREVYNXTB-AWEZNQCLSA-N 1 2 274.368 1.575 20 30 CDEDLO C#CCCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000743969872 576660720 /nfs/dbraw/zinc/66/07/20/576660720.db2.gz GVFLMZWTAOQKHP-UHFFFAOYSA-N 1 2 298.346 1.350 20 30 CDEDLO COCC[N@H+](CCC#N)C[C@@H](O)c1cccc(F)c1 ZINC000744405742 576679539 /nfs/dbraw/zinc/67/95/39/576679539.db2.gz VOVJDMIFQPCYRA-CQSZACIVSA-N 1 2 266.316 1.721 20 30 CDEDLO COCC[N@@H+](CCC#N)C[C@@H](O)c1cccc(F)c1 ZINC000744405742 576679541 /nfs/dbraw/zinc/67/95/41/576679541.db2.gz VOVJDMIFQPCYRA-CQSZACIVSA-N 1 2 266.316 1.721 20 30 CDEDLO Cc1[nH]c[nH+]c1C=Nn1cnc2sc(C)c(C)c2c1=O ZINC000755518429 576947942 /nfs/dbraw/zinc/94/79/42/576947942.db2.gz KYZLJTRGPSERDH-UHFFFAOYSA-N 1 2 287.348 1.989 20 30 CDEDLO CC(C)C[N@H+](CCC#N)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000755669931 576954476 /nfs/dbraw/zinc/95/44/76/576954476.db2.gz IHUYIRHXPAQLPW-ZIAGYGMSSA-N 1 2 281.400 1.494 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000755669931 576954477 /nfs/dbraw/zinc/95/44/77/576954477.db2.gz IHUYIRHXPAQLPW-ZIAGYGMSSA-N 1 2 281.400 1.494 20 30 CDEDLO CCn1cc[nH+]c1CN=Nc1ccccc1S(C)(=O)=O ZINC000755728086 576957661 /nfs/dbraw/zinc/95/76/61/576957661.db2.gz ZWZAPIZLEQEJCK-UHFFFAOYSA-N 1 2 292.364 1.753 20 30 CDEDLO C[C@@H]1C[N@@H+](C2CC2)CC1=NNc1cnnc(O)c1Cl ZINC000755892268 576966376 /nfs/dbraw/zinc/96/63/76/576966376.db2.gz MTWFXFQNWSRVHL-SSDOTTSWSA-N 1 2 281.747 1.718 20 30 CDEDLO C[C@@H]1C[N@H+](C2CC2)CC1=NNc1cnnc(O)c1Cl ZINC000755892268 576966378 /nfs/dbraw/zinc/96/63/78/576966378.db2.gz MTWFXFQNWSRVHL-SSDOTTSWSA-N 1 2 281.747 1.718 20 30 CDEDLO CC[N@H+](CC#Cc1ccc(Cl)cc1)CC(=O)NC ZINC000750047691 576973196 /nfs/dbraw/zinc/97/31/96/576973196.db2.gz UTAFEECQXXRVLZ-UHFFFAOYSA-N 1 2 264.756 1.759 20 30 CDEDLO CC[N@@H+](CC#Cc1ccc(Cl)cc1)CC(=O)NC ZINC000750047691 576973197 /nfs/dbraw/zinc/97/31/97/576973197.db2.gz UTAFEECQXXRVLZ-UHFFFAOYSA-N 1 2 264.756 1.759 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CC)c1c(C)noc1C ZINC000757601339 577045359 /nfs/dbraw/zinc/04/53/59/577045359.db2.gz ZBWRHLFPCPCAHV-KGLIPLIRSA-N 1 2 289.379 1.956 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CC)c1c(C)noc1C ZINC000757601339 577045361 /nfs/dbraw/zinc/04/53/61/577045361.db2.gz ZBWRHLFPCPCAHV-KGLIPLIRSA-N 1 2 289.379 1.956 20 30 CDEDLO C[N@H+](CCOCC1CC1)Cn1cccc(C#N)c1=O ZINC000758238137 577088415 /nfs/dbraw/zinc/08/84/15/577088415.db2.gz SKDGFBFPSASRBA-UHFFFAOYSA-N 1 2 261.325 1.036 20 30 CDEDLO C[N@@H+](CCOCC1CC1)Cn1cccc(C#N)c1=O ZINC000758238137 577088417 /nfs/dbraw/zinc/08/84/17/577088417.db2.gz SKDGFBFPSASRBA-UHFFFAOYSA-N 1 2 261.325 1.036 20 30 CDEDLO C#CCNC(=S)NCCc1cn2cccc(C)c2[nH+]1 ZINC000758240301 577088802 /nfs/dbraw/zinc/08/88/02/577088802.db2.gz PRLYFFXNMGSINP-UHFFFAOYSA-N 1 2 272.377 1.283 20 30 CDEDLO COc1cc(F)cc(N[NH+]=Cc2c(N)ncnc2OC)c1 ZINC000759213165 577161053 /nfs/dbraw/zinc/16/10/53/577161053.db2.gz VSANQDRWWHQCIS-UHFFFAOYSA-N 1 2 291.286 1.661 20 30 CDEDLO CCOCCNC(=O)C[N@H+](CCC#N)CC(C)C ZINC000753409649 577165716 /nfs/dbraw/zinc/16/57/16/577165716.db2.gz PPWZRRFIOJDTOH-UHFFFAOYSA-N 1 2 255.362 1.011 20 30 CDEDLO CCOCCNC(=O)C[N@@H+](CCC#N)CC(C)C ZINC000753409649 577165719 /nfs/dbraw/zinc/16/57/19/577165719.db2.gz PPWZRRFIOJDTOH-UHFFFAOYSA-N 1 2 255.362 1.011 20 30 CDEDLO C[C@@H](CC#N)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000820220096 599383791 /nfs/dbraw/zinc/38/37/91/599383791.db2.gz NGROORCXOABISB-QMMMGPOBSA-N 1 2 260.276 1.398 20 30 CDEDLO COc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1-c1nn[nH]n1 ZINC000826192406 607515224 /nfs/dbraw/zinc/51/52/24/607515224.db2.gz MDKUSNBHKUYCDH-SNVBAGLBSA-N 1 2 286.339 1.609 20 30 CDEDLO COc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1-c1nn[nH]n1 ZINC000826192406 607515226 /nfs/dbraw/zinc/51/52/26/607515226.db2.gz MDKUSNBHKUYCDH-SNVBAGLBSA-N 1 2 286.339 1.609 20 30 CDEDLO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000819697543 606075349 /nfs/dbraw/zinc/07/53/49/606075349.db2.gz HUNDBXGTFDLNAN-NSHDSACASA-N 1 2 298.350 1.149 20 30 CDEDLO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000819697543 606075354 /nfs/dbraw/zinc/07/53/54/606075354.db2.gz HUNDBXGTFDLNAN-NSHDSACASA-N 1 2 298.350 1.149 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000820219178 607086841 /nfs/dbraw/zinc/08/68/41/607086841.db2.gz CZQQRSOCALQAQQ-SECBINFHSA-N 1 2 274.303 1.740 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000820219178 607086843 /nfs/dbraw/zinc/08/68/43/607086843.db2.gz CZQQRSOCALQAQQ-SECBINFHSA-N 1 2 274.303 1.740 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2c(C)cncc2C)C1 ZINC000950873808 612991499 /nfs/dbraw/zinc/99/14/99/612991499.db2.gz QXONOBUCYYSJDD-UHFFFAOYSA-N 1 2 285.391 1.868 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2occc2CC)CC1 ZINC000950066147 613011054 /nfs/dbraw/zinc/01/10/54/613011054.db2.gz FKYTYGCJXCSKFA-UHFFFAOYSA-N 1 2 260.337 1.623 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2cc(OC)cs2)CC1 ZINC000981738056 613157119 /nfs/dbraw/zinc/15/71/19/613157119.db2.gz PIHVTIJVJZBFLX-UHFFFAOYSA-N 1 2 278.377 1.538 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc(OC)cs2)CC1 ZINC000981738056 613157122 /nfs/dbraw/zinc/15/71/22/613157122.db2.gz PIHVTIJVJZBFLX-UHFFFAOYSA-N 1 2 278.377 1.538 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CC4(CC4)C3)C2)C1 ZINC000972548473 613210840 /nfs/dbraw/zinc/21/08/40/613210840.db2.gz JGHFWCHLSOFOBI-KRWDZBQOSA-N 1 2 288.391 1.113 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CC4(CC4)C3)C2)C1 ZINC000972548473 613210843 /nfs/dbraw/zinc/21/08/43/613210843.db2.gz JGHFWCHLSOFOBI-KRWDZBQOSA-N 1 2 288.391 1.113 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CC(C)(C)C3)C2)C1 ZINC000972366811 613211062 /nfs/dbraw/zinc/21/10/62/613211062.db2.gz CLIRVQRAHFBQMW-KRWDZBQOSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CC(C)(C)C3)C2)C1 ZINC000972366811 613211064 /nfs/dbraw/zinc/21/10/64/613211064.db2.gz CLIRVQRAHFBQMW-KRWDZBQOSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2nc(Cl)cs2)C1 ZINC000968015164 613217333 /nfs/dbraw/zinc/21/73/33/613217333.db2.gz INSXFIPQBCYFEV-ZJUUUORDSA-N 1 2 297.811 1.870 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2nc(Cl)cs2)C1 ZINC000968015164 613217336 /nfs/dbraw/zinc/21/73/36/613217336.db2.gz INSXFIPQBCYFEV-ZJUUUORDSA-N 1 2 297.811 1.870 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC000969570899 613242089 /nfs/dbraw/zinc/24/20/89/613242089.db2.gz ZPYIFAGNZVNURY-GFCCVEGCSA-N 1 2 292.383 1.671 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCO2)C1 ZINC000949623033 613294669 /nfs/dbraw/zinc/29/46/69/613294669.db2.gz YYTSPEFARSNDJQ-ZDUSSCGKSA-N 1 2 252.358 1.274 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(C)[nH]c2=O)C1 ZINC000952356624 613296469 /nfs/dbraw/zinc/29/64/69/613296469.db2.gz CMQSPGFJVNLKGQ-UHFFFAOYSA-N 1 2 289.379 1.818 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(=O)[nH]c2)C1 ZINC000957351855 613296583 /nfs/dbraw/zinc/29/65/83/613296583.db2.gz CEYOFDLLNONODO-UHFFFAOYSA-N 1 2 275.352 1.510 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H]2OCC[C@H]2C)CC1 ZINC000950561467 613319663 /nfs/dbraw/zinc/31/96/63/613319663.db2.gz DQHYVNNECSKCHD-OLZOCXBDSA-N 1 2 252.358 1.132 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnc(OCC)cn2)CC1 ZINC000957930821 613321907 /nfs/dbraw/zinc/32/19/07/613321907.db2.gz UYMQPJQJSVMGIK-UHFFFAOYSA-N 1 2 290.367 1.209 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccnn2C)C1 ZINC000969385721 613371875 /nfs/dbraw/zinc/37/18/75/613371875.db2.gz SITTVAKZQZDDKO-SNVBAGLBSA-N 1 2 282.775 1.223 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCO2)C1 ZINC000969254475 613372165 /nfs/dbraw/zinc/37/21/65/613372165.db2.gz SHCKYINXAUTLPX-JQWIXIFHSA-N 1 2 272.776 1.354 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnn(CC)c2)C1 ZINC000969405181 613372588 /nfs/dbraw/zinc/37/25/88/613372588.db2.gz XYAAVMFDBIVGOV-NSHDSACASA-N 1 2 296.802 1.706 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCc2cn[nH]c2)CC1 ZINC000982132715 613373375 /nfs/dbraw/zinc/37/33/75/613373375.db2.gz ZMWWEXYFCKGZOO-UHFFFAOYSA-N 1 2 296.802 1.629 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCc2cn[nH]c2)CC1 ZINC000982132715 613373376 /nfs/dbraw/zinc/37/33/76/613373376.db2.gz ZMWWEXYFCKGZOO-UHFFFAOYSA-N 1 2 296.802 1.629 20 30 CDEDLO C=C(Cl)CN1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000949551495 613374576 /nfs/dbraw/zinc/37/45/76/613374576.db2.gz PRMARNYXGKEEMX-UHFFFAOYSA-N 1 2 282.775 1.170 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cncnc2)C(C)(C)C1 ZINC000974477651 613381103 /nfs/dbraw/zinc/38/11/03/613381103.db2.gz JDMZJUPKFKGHET-LBPRGKRZSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cncnc2)C(C)(C)C1 ZINC000974477651 613381104 /nfs/dbraw/zinc/38/11/04/613381104.db2.gz JDMZJUPKFKGHET-LBPRGKRZSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cnc(C)[nH]2)C(C)(C)C1 ZINC000972967303 613381191 /nfs/dbraw/zinc/38/11/91/613381191.db2.gz DZXWNRRYJLGNNY-LBPRGKRZSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cnc(C)[nH]2)C(C)(C)C1 ZINC000972967303 613381192 /nfs/dbraw/zinc/38/11/92/613381192.db2.gz DZXWNRRYJLGNNY-LBPRGKRZSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@@H+]([C@H](C)C(=O)NC)CC1 ZINC000981887769 613473110 /nfs/dbraw/zinc/47/31/10/613473110.db2.gz OTOICDYYLWXLJE-CJNGLKHVSA-N 1 2 295.427 1.258 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@H+]([C@H](C)C(=O)NC)CC1 ZINC000981887769 613473111 /nfs/dbraw/zinc/47/31/11/613473111.db2.gz OTOICDYYLWXLJE-CJNGLKHVSA-N 1 2 295.427 1.258 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@@H+]([C@@H](C)C(=O)NC)CC1 ZINC000981887767 613473153 /nfs/dbraw/zinc/47/31/53/613473153.db2.gz OTOICDYYLWXLJE-BBRMVZONSA-N 1 2 295.427 1.258 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@H+]([C@@H](C)C(=O)NC)CC1 ZINC000981887767 613473156 /nfs/dbraw/zinc/47/31/56/613473156.db2.gz OTOICDYYLWXLJE-BBRMVZONSA-N 1 2 295.427 1.258 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCc2cncc(C)c2)CC1 ZINC000949224244 613561879 /nfs/dbraw/zinc/56/18/79/613561879.db2.gz PSSLXNAWCQFNKX-UHFFFAOYSA-N 1 2 285.391 1.490 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CC=CC3)C2)C1 ZINC000972311454 613570874 /nfs/dbraw/zinc/57/08/74/613570874.db2.gz OAMRYDCNYAMTKR-QGZVFWFLSA-N 1 2 288.391 1.279 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CC=CC3)C2)C1 ZINC000972311454 613570875 /nfs/dbraw/zinc/57/08/75/613570875.db2.gz OAMRYDCNYAMTKR-QGZVFWFLSA-N 1 2 288.391 1.279 20 30 CDEDLO O=C(NCC#C[C@H]1CCCCO1)[C@H]1CCc2c[nH+]cn2C1 ZINC000891115506 617365572 /nfs/dbraw/zinc/36/55/72/617365572.db2.gz FQPIMWKPOHGSBQ-DZGCQCFKSA-N 1 2 287.363 1.134 20 30 CDEDLO C=CCCn1cc(C(=O)N(CC)C2C[NH+](CC)C2)nn1 ZINC000952439356 613592700 /nfs/dbraw/zinc/59/27/00/613592700.db2.gz QJEWFTFBIYEYSG-UHFFFAOYSA-N 1 2 277.372 1.020 20 30 CDEDLO C=CC[N@@H+]1CCCN(C(=O)c2cccc3nn[nH]c32)CC1 ZINC000981231609 613698287 /nfs/dbraw/zinc/69/82/87/613698287.db2.gz KXRVETBUNATWRO-UHFFFAOYSA-N 1 2 285.351 1.292 20 30 CDEDLO C=CC[N@H+]1CCCN(C(=O)c2cccc3nn[nH]c32)CC1 ZINC000981231609 613698289 /nfs/dbraw/zinc/69/82/89/613698289.db2.gz KXRVETBUNATWRO-UHFFFAOYSA-N 1 2 285.351 1.292 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CC[C@@H]2CCCCO2)CC1 ZINC000950975573 613707355 /nfs/dbraw/zinc/70/73/55/613707355.db2.gz CUTBQLXBSAAPEW-AWEZNQCLSA-N 1 2 266.385 1.666 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2CC[C@H](C)O2)CC1 ZINC000950018778 613709500 /nfs/dbraw/zinc/70/95/00/613709500.db2.gz RFFHGMOMNIGKCX-QWHCGFSZSA-N 1 2 252.358 1.274 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ncoc2-c2ccon2)CC1 ZINC000957346469 613719000 /nfs/dbraw/zinc/71/90/00/613719000.db2.gz OIQIUHVBRIIGJS-UHFFFAOYSA-N 1 2 288.307 1.273 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)C)C2)C1 ZINC000972265145 613722266 /nfs/dbraw/zinc/72/22/66/613722266.db2.gz OCCSHPFQWYLNOW-AWEZNQCLSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)C)C2)C1 ZINC000972265145 613722269 /nfs/dbraw/zinc/72/22/69/613722269.db2.gz OCCSHPFQWYLNOW-AWEZNQCLSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(CF)CC3)C2)C1 ZINC000972546611 613723026 /nfs/dbraw/zinc/72/30/26/613723026.db2.gz QFTBITFTSKYNMH-HNNXBMFYSA-N 1 2 282.359 1.225 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(CF)CC3)C2)C1 ZINC000972546611 613723027 /nfs/dbraw/zinc/72/30/27/613723027.db2.gz QFTBITFTSKYNMH-HNNXBMFYSA-N 1 2 282.359 1.225 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccsn3)C2)C1 ZINC000972428264 613727353 /nfs/dbraw/zinc/72/73/53/613727353.db2.gz HEIXZQKWTKRXNH-CQSZACIVSA-N 1 2 293.392 1.246 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccsn3)C2)C1 ZINC000972428264 613727355 /nfs/dbraw/zinc/72/73/55/613727355.db2.gz HEIXZQKWTKRXNH-CQSZACIVSA-N 1 2 293.392 1.246 20 30 CDEDLO Cn1nccc1[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000933526337 617481462 /nfs/dbraw/zinc/48/14/62/617481462.db2.gz ICCMJKRKGNGGHI-INIZCTEOSA-N 1 2 282.347 1.865 20 30 CDEDLO Cn1nccc1[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000933526337 617481466 /nfs/dbraw/zinc/48/14/66/617481466.db2.gz ICCMJKRKGNGGHI-INIZCTEOSA-N 1 2 282.347 1.865 20 30 CDEDLO C[S@@](=O)CC[NH+]1CCN(Cc2csc(C#N)c2)CC1 ZINC000892100064 617481722 /nfs/dbraw/zinc/48/17/22/617481722.db2.gz CMAHFBLIJMWWIB-LJQANCHMSA-N 1 2 297.449 1.116 20 30 CDEDLO C=CC(C)(C)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000892603436 617529528 /nfs/dbraw/zinc/52/95/28/617529528.db2.gz LVRZSKYAMSSMPC-UHFFFAOYSA-N 1 2 269.389 1.361 20 30 CDEDLO C=CC(C)(C)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000892603436 617529530 /nfs/dbraw/zinc/52/95/30/617529530.db2.gz LVRZSKYAMSSMPC-UHFFFAOYSA-N 1 2 269.389 1.361 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935236580 618086487 /nfs/dbraw/zinc/08/64/87/618086487.db2.gz XHCHZEVYQDUMGI-JTQLQIEISA-N 1 2 259.309 1.477 20 30 CDEDLO CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)C=NOC ZINC000811584234 618443051 /nfs/dbraw/zinc/44/30/51/618443051.db2.gz BNTKEYASEVKXSI-NSHDSACASA-N 1 2 264.329 1.589 20 30 CDEDLO C[C@H]1C[N@H+](CCO)CCN1c1cc(C#N)sc1[N+](=O)[O-] ZINC000894134640 618611992 /nfs/dbraw/zinc/61/19/92/618611992.db2.gz OKUPROAYHFBBIC-VIFPVBQESA-N 1 2 296.352 1.031 20 30 CDEDLO C[C@H]1C[N@@H+](CCO)CCN1c1cc(C#N)sc1[N+](=O)[O-] ZINC000894134640 618611998 /nfs/dbraw/zinc/61/19/98/618611998.db2.gz OKUPROAYHFBBIC-VIFPVBQESA-N 1 2 296.352 1.031 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2csc(C#N)c2)C[C@@]2(CCOC2)O1 ZINC000894180615 618664707 /nfs/dbraw/zinc/66/47/07/618664707.db2.gz DXOIWLIGKLGIEZ-BXUZGUMPSA-N 1 2 278.377 2.000 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2csc(C#N)c2)C[C@@]2(CCOC2)O1 ZINC000894180615 618664710 /nfs/dbraw/zinc/66/47/10/618664710.db2.gz DXOIWLIGKLGIEZ-BXUZGUMPSA-N 1 2 278.377 2.000 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2ccsc2Cl)CCCN1O ZINC000895159951 619377023 /nfs/dbraw/zinc/37/70/23/619377023.db2.gz JJMBODQDJLGTDP-MRVPVSSYSA-N 1 2 260.746 1.871 20 30 CDEDLO C=C(C)[C@H](CC(=O)N[C@H](CC)C[NH+]1CCOCC1)OCC ZINC000928643667 620298921 /nfs/dbraw/zinc/29/89/21/620298921.db2.gz UOKJFEISCZZCAX-CABCVRRESA-N 1 2 298.427 1.585 20 30 CDEDLO Cc1[nH]c(CNC(=O)Cc2ccccc2CC#N)[nH+]c1C ZINC000896913330 620304042 /nfs/dbraw/zinc/30/40/42/620304042.db2.gz QOKDBDVAOVXADQ-UHFFFAOYSA-N 1 2 282.347 1.952 20 30 CDEDLO C#CCCCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000896966697 620327761 /nfs/dbraw/zinc/32/77/61/620327761.db2.gz SVTKRLJPWLPMIV-CQSZACIVSA-N 1 2 274.368 1.710 20 30 CDEDLO C#CCCCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000896966697 620327764 /nfs/dbraw/zinc/32/77/64/620327764.db2.gz SVTKRLJPWLPMIV-CQSZACIVSA-N 1 2 274.368 1.710 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898491924 621762213 /nfs/dbraw/zinc/76/22/13/621762213.db2.gz PCJUEMFSTNJSOJ-STQMWFEESA-N 1 2 272.364 1.518 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898491924 621762216 /nfs/dbraw/zinc/76/22/16/621762216.db2.gz PCJUEMFSTNJSOJ-STQMWFEESA-N 1 2 272.364 1.518 20 30 CDEDLO C[C@@H]1Cc2cc(NC[C@H](O)C[N@H+](C)CCC#N)ccc2O1 ZINC000899896737 622512522 /nfs/dbraw/zinc/51/25/22/622512522.db2.gz PTXBQIPOFOJTRO-DOMZBBRYSA-N 1 2 289.379 1.628 20 30 CDEDLO C[C@@H]1Cc2cc(NC[C@H](O)C[N@@H+](C)CCC#N)ccc2O1 ZINC000899896737 622512525 /nfs/dbraw/zinc/51/25/25/622512525.db2.gz PTXBQIPOFOJTRO-DOMZBBRYSA-N 1 2 289.379 1.628 20 30 CDEDLO C#CC[N@H+](CN1C(=O)C[C@@]2(CCSC2)C1=O)C(C)C ZINC000905741003 626955981 /nfs/dbraw/zinc/95/59/81/626955981.db2.gz AOBLNYWTJPAHBT-CQSZACIVSA-N 1 2 280.393 1.170 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)C[C@@]2(CCSC2)C1=O)C(C)C ZINC000905741003 626955983 /nfs/dbraw/zinc/95/59/83/626955983.db2.gz AOBLNYWTJPAHBT-CQSZACIVSA-N 1 2 280.393 1.170 20 30 CDEDLO C=CCN(C(=O)CNc1cccc[nH+]1)[C@@H](C)COC ZINC000912315330 629923579 /nfs/dbraw/zinc/92/35/79/629923579.db2.gz PSJYGBLZVAWETP-LBPRGKRZSA-N 1 2 263.341 1.543 20 30 CDEDLO C=CCC1(NC(=O)CNc2cccc[nH+]2)CCOCC1 ZINC000912456481 630024861 /nfs/dbraw/zinc/02/48/61/630024861.db2.gz LOEAOCLAHCLLPW-UHFFFAOYSA-N 1 2 275.352 1.735 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913462062 630499814 /nfs/dbraw/zinc/49/98/14/630499814.db2.gz DIHYPNYSKCMYKH-DZGCQCFKSA-N 1 2 276.384 1.495 20 30 CDEDLO N#C[C@@H]1CCCN(C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000914154281 631072059 /nfs/dbraw/zinc/07/20/59/631072059.db2.gz ZGOUQOMLEDIZDK-ZDUSSCGKSA-N 1 2 287.367 1.829 20 30 CDEDLO C#CCOCCC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000154688013 632351188 /nfs/dbraw/zinc/35/11/88/632351188.db2.gz QHMVEHJGFNOIGR-UHFFFAOYSA-N 1 2 285.347 1.341 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C=C(C)C ZINC001113816807 1162312661 /nfs/dbraw/zinc/31/26/61/1162312661.db2.gz YFYIIVCYBYEDBP-PJXYFTJBSA-N 1 2 299.212 1.908 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C=C(C)C ZINC001113816807 1162312664 /nfs/dbraw/zinc/31/26/64/1162312664.db2.gz YFYIIVCYBYEDBP-PJXYFTJBSA-N 1 2 299.212 1.908 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C)o3)C[C@H]21 ZINC001114004273 1162400177 /nfs/dbraw/zinc/40/01/77/1162400177.db2.gz HBXCQXIGPPFNDA-JYAVWHMHSA-N 1 2 275.352 1.496 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(C)o3)C[C@H]21 ZINC001114004273 1162400180 /nfs/dbraw/zinc/40/01/80/1162400180.db2.gz HBXCQXIGPPFNDA-JYAVWHMHSA-N 1 2 275.352 1.496 20 30 CDEDLO CON=CC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000809564737 1163035094 /nfs/dbraw/zinc/03/50/94/1163035094.db2.gz FQSLNSUDIBZMFG-UHFFFAOYSA-N 1 2 272.308 1.180 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1OC ZINC001212022408 1160613826 /nfs/dbraw/zinc/61/38/26/1160613826.db2.gz PFXSLNQKCAPCJU-CHWSQXEVSA-N 1 2 295.408 1.425 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1OC ZINC001212022408 1160613831 /nfs/dbraw/zinc/61/38/31/1160613831.db2.gz PFXSLNQKCAPCJU-CHWSQXEVSA-N 1 2 295.408 1.425 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cc(CC)n[nH]1 ZINC001409542584 1160844366 /nfs/dbraw/zinc/84/43/66/1160844366.db2.gz SGIJTAUKIJTXAK-SNVBAGLBSA-N 1 2 284.791 1.775 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cc(CC)n[nH]1 ZINC001409542584 1160844371 /nfs/dbraw/zinc/84/43/71/1160844371.db2.gz SGIJTAUKIJTXAK-SNVBAGLBSA-N 1 2 284.791 1.775 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCC[NH2+]Cc1nncs1)OCC ZINC001128540245 1161494774 /nfs/dbraw/zinc/49/47/74/1161494774.db2.gz SVVVTFAHFZOEHD-NSHDSACASA-N 1 2 298.412 1.115 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000820449209 1161920163 /nfs/dbraw/zinc/92/01/63/1161920163.db2.gz QJVVILZTMOQDFJ-UHFFFAOYSA-N 1 2 282.384 1.154 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000820449209 1161920164 /nfs/dbraw/zinc/92/01/64/1161920164.db2.gz QJVVILZTMOQDFJ-UHFFFAOYSA-N 1 2 282.384 1.154 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)C2(CC)CC2)CC1 ZINC001113305133 1162148992 /nfs/dbraw/zinc/14/89/92/1162148992.db2.gz BXCUTOLCENIYDR-UHFFFAOYSA-N 1 2 266.385 1.523 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2(CCOC)CCC2)CC1 ZINC001113584438 1162229800 /nfs/dbraw/zinc/22/98/00/1162229800.db2.gz BDKNAVGASPNZTM-UHFFFAOYSA-N 1 2 266.385 1.523 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CC(F)(F)C(F)(F)F)CC1 ZINC001113743757 1162272895 /nfs/dbraw/zinc/27/28/95/1162272895.db2.gz XFEPMSITCFWXOK-UHFFFAOYSA-N 1 2 286.244 1.904 20 30 CDEDLO C=CCCC1(C(=O)NCC[NH2+]Cc2nncs2)CC1 ZINC001133373663 1163660291 /nfs/dbraw/zinc/66/02/91/1163660291.db2.gz FLIBEEXYFSUXOD-UHFFFAOYSA-N 1 2 280.397 1.490 20 30 CDEDLO C=CCCC(=O)NCCC[NH2+]Cc1noc(C(C)(C)C)n1 ZINC001155579650 1167239926 /nfs/dbraw/zinc/23/99/26/1167239926.db2.gz ISTHUXZQGPIVSO-UHFFFAOYSA-N 1 2 294.399 1.929 20 30 CDEDLO C=CCOc1ccc(OC(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)cc1 ZINC001573310958 1170193495 /nfs/dbraw/zinc/19/34/95/1170193495.db2.gz SCASIJNBRHCIDR-GOEBONIOSA-N 1 2 291.347 1.924 20 30 CDEDLO N#Cc1cccc(ONC(=O)[C@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1 ZINC001580078425 1172344098 /nfs/dbraw/zinc/34/40/98/1172344098.db2.gz XLFCVWPQKKCYLH-WXHSDQCUSA-N 1 2 257.293 1.109 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC#Cc1ccccc1 ZINC001752544588 1184878472 /nfs/dbraw/zinc/87/84/72/1184878472.db2.gz CRFVKBBXHSKECW-HDICACEKSA-N 1 2 292.382 1.737 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC#Cc1ccccc1 ZINC001752544588 1184878474 /nfs/dbraw/zinc/87/84/74/1184878474.db2.gz CRFVKBBXHSKECW-HDICACEKSA-N 1 2 292.382 1.737 20 30 CDEDLO C#CCO[C@H](C)C(=O)NCC[N@@H+](CC)Cc1ccns1 ZINC001753081946 1185046585 /nfs/dbraw/zinc/04/65/85/1185046585.db2.gz CMEQVUUEWWAKAY-GFCCVEGCSA-N 1 2 295.408 1.120 20 30 CDEDLO C#CCO[C@H](C)C(=O)NCC[N@H+](CC)Cc1ccns1 ZINC001753081946 1185046589 /nfs/dbraw/zinc/04/65/89/1185046589.db2.gz CMEQVUUEWWAKAY-GFCCVEGCSA-N 1 2 295.408 1.120 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N(C)CC[NH2+]Cc1nc(C)no1 ZINC001753228454 1185124658 /nfs/dbraw/zinc/12/46/58/1185124658.db2.gz WFNQLXCICPQLCW-CQSZACIVSA-N 1 2 280.372 1.528 20 30 CDEDLO C#CC[NH+]1CCN(CCN(C)C(=O)CC[C@@H](C)CC)CC1 ZINC001753344490 1185163293 /nfs/dbraw/zinc/16/32/93/1185163293.db2.gz HIWUGQWWHXGCFA-INIZCTEOSA-N 1 2 293.455 1.522 20 30 CDEDLO C=CCOCC(=O)NC1C[NH+](Cc2cccc(C)c2)C1 ZINC001753373399 1185173198 /nfs/dbraw/zinc/17/31/98/1185173198.db2.gz UMSFLTGDULGDMN-UHFFFAOYSA-N 1 2 274.364 1.498 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C2(C(C)(F)F)CC2)C1 ZINC001753387254 1185179797 /nfs/dbraw/zinc/17/97/97/1185179797.db2.gz LAYWLZYAFTXWEU-UHFFFAOYSA-N 1 2 258.312 1.798 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)CC[C@H]2CC[C@H](C)O2)C1 ZINC001753400488 1185188136 /nfs/dbraw/zinc/18/81/36/1185188136.db2.gz ZSIOWDDJOWONSE-WCQYABFASA-N 1 2 252.358 1.321 20 30 CDEDLO CN(CC[N@H+](C)Cc1ccns1)C(=O)CSCC#N ZINC001753846908 1185356916 /nfs/dbraw/zinc/35/69/16/1185356916.db2.gz NWBRKFJCJSAWEE-UHFFFAOYSA-N 1 2 298.437 1.290 20 30 CDEDLO CN(CC[N@@H+](C)Cc1ccns1)C(=O)CSCC#N ZINC001753846908 1185356921 /nfs/dbraw/zinc/35/69/21/1185356921.db2.gz NWBRKFJCJSAWEE-UHFFFAOYSA-N 1 2 298.437 1.290 20 30 CDEDLO C=CCCC(=O)N[C@H](C)C[NH2+]Cc1nnc(CC)o1 ZINC001754219940 1185511632 /nfs/dbraw/zinc/51/16/32/1185511632.db2.gz YNFABBCBLKVHRD-SNVBAGLBSA-N 1 2 266.345 1.193 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)CCC[NH2+]CC(F)(F)C(F)F ZINC001754363247 1185597968 /nfs/dbraw/zinc/59/79/68/1185597968.db2.gz OQUYWAHFYSOIKB-MRVPVSSYSA-N 1 2 283.269 1.485 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)CCc2c(C)noc2Cl)C1 ZINC001754588517 1185676249 /nfs/dbraw/zinc/67/62/49/1185676249.db2.gz ZITCTHIATHJSOA-UHFFFAOYSA-N 1 2 297.786 1.898 20 30 CDEDLO C#CC[NH2+]CC[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001754915100 1185762900 /nfs/dbraw/zinc/76/29/00/1185762900.db2.gz CKLNKEOIOIYVRK-VHSXEESVSA-N 1 2 280.265 1.348 20 30 CDEDLO Cc1cc(C)c(C(=O)NCC2(NCC#N)CCC2)c(C)[nH+]1 ZINC001754989387 1185781245 /nfs/dbraw/zinc/78/12/45/1185781245.db2.gz MHMQTZFFQVIYPD-UHFFFAOYSA-N 1 2 286.379 1.773 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C(C)(C)C1CC1)O2 ZINC001755056287 1185802291 /nfs/dbraw/zinc/80/22/91/1185802291.db2.gz ZDHJIPXILARRHR-AWEZNQCLSA-N 1 2 292.423 1.958 20 30 CDEDLO C#CCCCCC(=O)NC[C@@H]1CCC2(C[NH+](CC=C)C2)O1 ZINC001755054089 1185802505 /nfs/dbraw/zinc/80/25/05/1185802505.db2.gz HPFXVWCRUOFUGC-HNNXBMFYSA-N 1 2 290.407 1.716 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C)CCC)CC2)C1 ZINC001755173794 1185840732 /nfs/dbraw/zinc/84/07/32/1185840732.db2.gz AYGAMDRHOQTNSS-OAHLLOKOSA-N 1 2 292.423 1.749 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)CCC)CC2)C1 ZINC001755173794 1185840743 /nfs/dbraw/zinc/84/07/43/1185840743.db2.gz AYGAMDRHOQTNSS-OAHLLOKOSA-N 1 2 292.423 1.749 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](CO)[NH2+]Cc1coc(C)n1 ZINC001755635366 1186018876 /nfs/dbraw/zinc/01/88/76/1186018876.db2.gz WDUYYCMDMLMNMC-LBPRGKRZSA-N 1 2 295.383 1.152 20 30 CDEDLO Cc1ccn(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c(=O)c1C#N ZINC001771651572 1186737810 /nfs/dbraw/zinc/73/78/10/1186737810.db2.gz JZBUGCGPUWCABE-DZGCQCFKSA-N 1 2 287.363 1.487 20 30 CDEDLO Cc1ccn(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c(=O)c1C#N ZINC001771651572 1186737818 /nfs/dbraw/zinc/73/78/18/1186737818.db2.gz JZBUGCGPUWCABE-DZGCQCFKSA-N 1 2 287.363 1.487 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2CCCCO2)C1 ZINC001030207016 742716520 /nfs/dbraw/zinc/71/65/20/742716520.db2.gz NPJLCZSZPJKJFQ-CYBMUJFWSA-N 1 2 252.358 1.322 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCCO1 ZINC001054032133 739234290 /nfs/dbraw/zinc/23/42/90/739234290.db2.gz RZNQOUDVJWHMBW-SJORKVTESA-N 1 2 298.386 1.342 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCCO1 ZINC001054032133 739234297 /nfs/dbraw/zinc/23/42/97/739234297.db2.gz RZNQOUDVJWHMBW-SJORKVTESA-N 1 2 298.386 1.342 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ocnc2CC)C1 ZINC001008474118 739293842 /nfs/dbraw/zinc/29/38/42/739293842.db2.gz LKTZNZKUKCTHCB-LLVKDONJSA-N 1 2 261.325 1.064 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ocnc2CC)C1 ZINC001008474118 739293853 /nfs/dbraw/zinc/29/38/53/739293853.db2.gz LKTZNZKUKCTHCB-LLVKDONJSA-N 1 2 261.325 1.064 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncoc1C ZINC001017395473 739312261 /nfs/dbraw/zinc/31/22/61/739312261.db2.gz PCDJCKAGZLPGGV-TXEJJXNPSA-N 1 2 261.325 1.458 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncoc1C ZINC001017395473 739312263 /nfs/dbraw/zinc/31/22/63/739312263.db2.gz PCDJCKAGZLPGGV-TXEJJXNPSA-N 1 2 261.325 1.458 20 30 CDEDLO N#CC[C@@H](O)C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000809577152 739416492 /nfs/dbraw/zinc/41/64/92/739416492.db2.gz WETYGMQXUMIZCR-ZBFHGGJFSA-N 1 2 272.348 1.435 20 30 CDEDLO N#CC[C@@H](O)C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000809577152 739416497 /nfs/dbraw/zinc/41/64/97/739416497.db2.gz WETYGMQXUMIZCR-ZBFHGGJFSA-N 1 2 272.348 1.435 20 30 CDEDLO Cc1nc(C2([NH2+]CCO[C@H](C)C#N)CCCC2)no1 ZINC000801925677 739487767 /nfs/dbraw/zinc/48/77/67/739487767.db2.gz PXQQALYDVJTXML-SNVBAGLBSA-N 1 2 264.329 1.666 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C1CCCC1 ZINC001032724860 739384545 /nfs/dbraw/zinc/38/45/45/739384545.db2.gz FAFYSSINFLTTQR-SNPRPXQTSA-N 1 2 260.381 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C1CCCC1 ZINC001032724860 739384552 /nfs/dbraw/zinc/38/45/52/739384552.db2.gz FAFYSSINFLTTQR-SNPRPXQTSA-N 1 2 260.381 1.731 20 30 CDEDLO C=CCN1CCN(C[N@@H+](CC=C)[C@H](C)COC)C1=O ZINC000853534084 739663101 /nfs/dbraw/zinc/66/31/01/739663101.db2.gz GOGHDXUBFCIUDW-CYBMUJFWSA-N 1 2 267.373 1.390 20 30 CDEDLO C=CCN1CCN(C[N@H+](CC=C)[C@H](C)COC)C1=O ZINC000853534084 739663105 /nfs/dbraw/zinc/66/31/05/739663105.db2.gz GOGHDXUBFCIUDW-CYBMUJFWSA-N 1 2 267.373 1.390 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1C=CCC1)CO2 ZINC001053734038 739691474 /nfs/dbraw/zinc/69/14/74/739691474.db2.gz ILKJZZVAYCYMJA-LSDHHAIUSA-N 1 2 288.391 1.326 20 30 CDEDLO C#CCOCC[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000784079226 739753267 /nfs/dbraw/zinc/75/32/67/739753267.db2.gz JRHPJPKDYXEUKC-ZDUSSCGKSA-N 1 2 285.347 1.961 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000884332963 739791388 /nfs/dbraw/zinc/79/13/88/739791388.db2.gz ZXMZXFJVXKVZDY-XEZPLFJOSA-N 1 2 294.395 1.472 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cn(C(C)C)nc2C)C1 ZINC001031244539 739800910 /nfs/dbraw/zinc/80/09/10/739800910.db2.gz GUPCYKYRRNGIQJ-UHFFFAOYSA-N 1 2 274.368 1.210 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(C(C)(C)C)nn2C)C1 ZINC001030893943 739805707 /nfs/dbraw/zinc/80/57/07/739805707.db2.gz WVUBXLQWKJNDJQ-UHFFFAOYSA-N 1 2 290.411 1.708 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(F)c[nH]2)C1 ZINC001035445238 739807539 /nfs/dbraw/zinc/80/75/39/739807539.db2.gz BGNCREJJTNSGBA-LBPRGKRZSA-N 1 2 281.331 1.161 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(F)c[nH]2)C1 ZINC001035445238 739807542 /nfs/dbraw/zinc/80/75/42/739807542.db2.gz BGNCREJJTNSGBA-LBPRGKRZSA-N 1 2 281.331 1.161 20 30 CDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886344611 739814720 /nfs/dbraw/zinc/81/47/20/739814720.db2.gz IGKLHEITQLBOLB-HZSPNIEDSA-N 1 2 256.305 1.724 20 30 CDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886344611 739814723 /nfs/dbraw/zinc/81/47/23/739814723.db2.gz IGKLHEITQLBOLB-HZSPNIEDSA-N 1 2 256.305 1.724 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)n2cnc3ccccc32)C1 ZINC001031195870 739815574 /nfs/dbraw/zinc/81/55/74/739815574.db2.gz XNYLNWWHAZAVHP-ZDUSSCGKSA-N 1 2 296.374 1.421 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(F)c3ncccc3c2)C1 ZINC001031109750 739848194 /nfs/dbraw/zinc/84/81/94/739848194.db2.gz XIUGFXAOJSCAKF-UHFFFAOYSA-N 1 2 297.333 1.811 20 30 CDEDLO NC(Cc1ccccc1)=[NH+]OCc1nnc(C2CC2)o1 ZINC000122204917 739878318 /nfs/dbraw/zinc/87/83/18/739878318.db2.gz VKKZEYCIQLCEPG-UHFFFAOYSA-N 1 2 272.308 1.979 20 30 CDEDLO Cc1ncoc1C[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038173573 739918929 /nfs/dbraw/zinc/91/89/29/739918929.db2.gz AMWPWWRNJSIFMS-ZDUSSCGKSA-N 1 2 299.334 1.187 20 30 CDEDLO Cc1ncoc1C[N@H+]1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038173573 739918939 /nfs/dbraw/zinc/91/89/39/739918939.db2.gz AMWPWWRNJSIFMS-ZDUSSCGKSA-N 1 2 299.334 1.187 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCOCC2)C1 ZINC001035354805 740009449 /nfs/dbraw/zinc/00/94/49/740009449.db2.gz XDRYXFOCIPSOOW-GJZGRUSLSA-N 1 2 296.411 1.196 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCOCC2)C1 ZINC001035354805 740009453 /nfs/dbraw/zinc/00/94/53/740009453.db2.gz XDRYXFOCIPSOOW-GJZGRUSLSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2ccc(Cl)o2)C1 ZINC001030106602 740011669 /nfs/dbraw/zinc/01/16/69/740011669.db2.gz FLRQOKZDJXDWPS-UHFFFAOYSA-N 1 2 254.717 1.923 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001030954585 740024392 /nfs/dbraw/zinc/02/43/92/740024392.db2.gz YLRRLOVITGUPDZ-UHFFFAOYSA-N 1 2 271.364 1.720 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc(C)no3)cc2C1 ZINC001054255588 740025987 /nfs/dbraw/zinc/02/59/87/740025987.db2.gz ULRNCAODKJPOEK-UHFFFAOYSA-N 1 2 295.342 1.862 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc(C)no3)cc2C1 ZINC001054255588 740025995 /nfs/dbraw/zinc/02/59/95/740025995.db2.gz ULRNCAODKJPOEK-UHFFFAOYSA-N 1 2 295.342 1.862 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(=O)[nH]c2)C1 ZINC001033635087 740185335 /nfs/dbraw/zinc/18/53/35/740185335.db2.gz DQTGNQKBRPOBNT-LBPRGKRZSA-N 1 2 295.770 1.686 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(=O)[nH]c2)C1 ZINC001033635087 740185336 /nfs/dbraw/zinc/18/53/36/740185336.db2.gz DQTGNQKBRPOBNT-LBPRGKRZSA-N 1 2 295.770 1.686 20 30 CDEDLO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ncccc1O ZINC001024408195 740087702 /nfs/dbraw/zinc/08/77/02/740087702.db2.gz XUHCRFDXJOFOLB-GFCCVEGCSA-N 1 2 273.336 1.005 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ncccc1O ZINC001024408195 740087705 /nfs/dbraw/zinc/08/77/05/740087705.db2.gz XUHCRFDXJOFOLB-GFCCVEGCSA-N 1 2 273.336 1.005 20 30 CDEDLO C#CCCN1CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038461528 740094703 /nfs/dbraw/zinc/09/47/03/740094703.db2.gz GADNXYUANIVJSQ-CQSZACIVSA-N 1 2 282.347 1.162 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NC[C@@](C)(O)COC ZINC000853320884 740186007 /nfs/dbraw/zinc/18/60/07/740186007.db2.gz HHMFROPOYYCNIR-OAHLLOKOSA-N 1 2 278.352 1.683 20 30 CDEDLO Cn1ncc(C=NNc2cc[nH+]c3ccccc23)n1 ZINC000814841728 740098304 /nfs/dbraw/zinc/09/83/04/740098304.db2.gz VAQQGKPRAMSXOC-UHFFFAOYSA-N 1 2 252.281 1.231 20 30 CDEDLO C[C@@H](C#N)OCC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000306017928 740144929 /nfs/dbraw/zinc/14/49/29/740144929.db2.gz LJECVPDNIININK-JTQLQIEISA-N 1 2 265.279 1.095 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCO1 ZINC001024311834 740154314 /nfs/dbraw/zinc/15/43/14/740154314.db2.gz AOKSCEWZLVQCKU-QWHCGFSZSA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCO1 ZINC001024311834 740154321 /nfs/dbraw/zinc/15/43/21/740154321.db2.gz AOKSCEWZLVQCKU-QWHCGFSZSA-N 1 2 286.803 1.889 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2nc(CC)no2)CC1 ZINC000717404317 740329178 /nfs/dbraw/zinc/32/91/78/740329178.db2.gz FXBIZEZPVVFCPW-UHFFFAOYSA-N 1 2 251.330 1.535 20 30 CDEDLO C[C@H]1C[C@H](NCC#N)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001044647020 740266038 /nfs/dbraw/zinc/26/60/38/740266038.db2.gz HIRKWQYWRASJET-WCQYABFASA-N 1 2 297.362 1.669 20 30 CDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2CC23CC3)C1 ZINC001032009132 740305103 /nfs/dbraw/zinc/30/51/03/740305103.db2.gz SSMULCHEPASDNY-MRXNPFEDSA-N 1 2 295.386 1.906 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CCc1cccs1 ZINC000884156842 740341994 /nfs/dbraw/zinc/34/19/94/740341994.db2.gz NIFVPKYKSSRRHX-LBPRGKRZSA-N 1 2 296.392 1.196 20 30 CDEDLO Cc1nc(NC[C@@]2(C)CCN(C(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001065398437 740350058 /nfs/dbraw/zinc/35/00/58/740350058.db2.gz PLJORUNXVQKWGR-IAQYHMDHSA-N 1 2 287.367 1.595 20 30 CDEDLO C[C@H](C#N)CNC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000921881973 740350553 /nfs/dbraw/zinc/35/05/53/740350553.db2.gz XVXMGBNETOQYCH-GFCCVEGCSA-N 1 2 287.367 1.827 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000791795519 740374694 /nfs/dbraw/zinc/37/46/94/740374694.db2.gz QFZFZNDAYBNESU-JTQLQIEISA-N 1 2 250.298 1.688 20 30 CDEDLO CC(C)C#CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000854124582 740376737 /nfs/dbraw/zinc/37/67/37/740376737.db2.gz WEWOZNWJSUHVEB-UHFFFAOYSA-N 1 2 270.376 1.990 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000821970111 740428993 /nfs/dbraw/zinc/42/89/93/740428993.db2.gz GAKWMXZBYQFLBN-LLVKDONJSA-N 1 2 259.309 1.620 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OCC)nc1 ZINC001032431910 740513372 /nfs/dbraw/zinc/51/33/72/740513372.db2.gz RFAOMGQAGOWTGI-GJZGRUSLSA-N 1 2 299.374 1.402 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OCC)nc1 ZINC001032431910 740513374 /nfs/dbraw/zinc/51/33/74/740513374.db2.gz RFAOMGQAGOWTGI-GJZGRUSLSA-N 1 2 299.374 1.402 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@]12CCOC2 ZINC001018152309 740519481 /nfs/dbraw/zinc/51/94/81/740519481.db2.gz KWACCNXNQQCPFO-DLTWYDFYSA-N 1 2 288.391 1.112 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@]12CCOC2 ZINC001018152309 740519488 /nfs/dbraw/zinc/51/94/88/740519488.db2.gz KWACCNXNQQCPFO-DLTWYDFYSA-N 1 2 288.391 1.112 20 30 CDEDLO C#CCCCS(=O)(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000804990174 740549063 /nfs/dbraw/zinc/54/90/63/740549063.db2.gz ODLSVENMVMEZKV-UHFFFAOYSA-N 1 2 292.404 1.682 20 30 CDEDLO C#CCCCS(=O)(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000804990174 740549080 /nfs/dbraw/zinc/54/90/80/740549080.db2.gz ODLSVENMVMEZKV-UHFFFAOYSA-N 1 2 292.404 1.682 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1c[nH]cc1C)CCO2 ZINC001053532447 740643565 /nfs/dbraw/zinc/64/35/65/740643565.db2.gz NAWBAULSNGXOCI-UHFFFAOYSA-N 1 2 289.379 1.426 20 30 CDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)N[C@@H](CCCC)C1=O ZINC000853619729 740702662 /nfs/dbraw/zinc/70/26/62/740702662.db2.gz JIVMLIJYIIAQOZ-ZDUSSCGKSA-N 1 2 295.383 1.026 20 30 CDEDLO C#CCC[N@H+](CCOC)CN1C(=O)N[C@@H](CCCC)C1=O ZINC000853619729 740702679 /nfs/dbraw/zinc/70/26/79/740702679.db2.gz JIVMLIJYIIAQOZ-ZDUSSCGKSA-N 1 2 295.383 1.026 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2nc(C(C)C)oc2C)C1 ZINC001042715612 740709462 /nfs/dbraw/zinc/70/94/62/740709462.db2.gz GFOVTGCGWDPBQS-UHFFFAOYSA-N 1 2 289.379 1.886 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OCC=C)cc1 ZINC001038428753 740773552 /nfs/dbraw/zinc/77/35/52/740773552.db2.gz UCQOSENKINDPGL-OAHLLOKOSA-N 1 2 284.359 1.689 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OCC=C)cc1 ZINC001038428753 740773561 /nfs/dbraw/zinc/77/35/61/740773561.db2.gz UCQOSENKINDPGL-OAHLLOKOSA-N 1 2 284.359 1.689 20 30 CDEDLO C=C(C)C[N@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000182628297 740810344 /nfs/dbraw/zinc/81/03/44/740810344.db2.gz JJLDHYNVZINPEC-UHFFFAOYSA-N 1 2 277.280 1.968 20 30 CDEDLO C=C(C)C[N@@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000182628297 740810345 /nfs/dbraw/zinc/81/03/45/740810345.db2.gz JJLDHYNVZINPEC-UHFFFAOYSA-N 1 2 277.280 1.968 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000781977548 740845898 /nfs/dbraw/zinc/84/58/98/740845898.db2.gz KJVGMROBKCHBGE-ZYHUDNBSSA-N 1 2 292.301 1.168 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000781977548 740845899 /nfs/dbraw/zinc/84/58/99/740845899.db2.gz KJVGMROBKCHBGE-ZYHUDNBSSA-N 1 2 292.301 1.168 20 30 CDEDLO C=C[C@@H](C)ONC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000845628217 740849629 /nfs/dbraw/zinc/84/96/29/740849629.db2.gz WIDUAVLCKXCAAO-VXGBXAGGSA-N 1 2 276.340 1.466 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cncc(Cl)c1C ZINC001038360976 740908464 /nfs/dbraw/zinc/90/84/64/740908464.db2.gz OBICLPLRJSNAQC-LBPRGKRZSA-N 1 2 291.782 1.871 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cncc(Cl)c1C ZINC001038360976 740908467 /nfs/dbraw/zinc/90/84/67/740908467.db2.gz OBICLPLRJSNAQC-LBPRGKRZSA-N 1 2 291.782 1.871 20 30 CDEDLO CC[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1cccc(C#N)c1 ZINC000886472060 740910070 /nfs/dbraw/zinc/91/00/70/740910070.db2.gz FNPHZVJAAICZEK-CYBMUJFWSA-N 1 2 293.392 1.273 20 30 CDEDLO CC[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cccc(C#N)c1 ZINC000886472060 740910073 /nfs/dbraw/zinc/91/00/73/740910073.db2.gz FNPHZVJAAICZEK-CYBMUJFWSA-N 1 2 293.392 1.273 20 30 CDEDLO C#Cc1ccc(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000934937500 740929463 /nfs/dbraw/zinc/92/94/63/740929463.db2.gz IXKNLHCIZIZSDC-ZDUSSCGKSA-N 1 2 287.363 1.510 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(F)(F)F ZINC001032745274 740959507 /nfs/dbraw/zinc/95/95/07/740959507.db2.gz UMTPTEYZNSNSTC-UWVGGRQHSA-N 1 2 274.286 1.493 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(F)(F)F ZINC001032745274 740959509 /nfs/dbraw/zinc/95/95/09/740959509.db2.gz UMTPTEYZNSNSTC-UWVGGRQHSA-N 1 2 274.286 1.493 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(F)F ZINC001017921830 741025076 /nfs/dbraw/zinc/02/50/76/741025076.db2.gz HHVCOLIJSGNJIO-TXEJJXNPSA-N 1 2 284.350 1.976 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(F)F ZINC001017921830 741025080 /nfs/dbraw/zinc/02/50/80/741025080.db2.gz HHVCOLIJSGNJIO-TXEJJXNPSA-N 1 2 284.350 1.976 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cn2cc3ccccc3n2)C1 ZINC001044200052 741036584 /nfs/dbraw/zinc/03/65/84/741036584.db2.gz YUJWAOCICQGFRB-UHFFFAOYSA-N 1 2 284.363 1.365 20 30 CDEDLO C=C(C)CC[NH+]1CC(NC(=O)c2nccs2)C1 ZINC001031137482 741053737 /nfs/dbraw/zinc/05/37/37/741053737.db2.gz KWKMYKANOQSXBE-UHFFFAOYSA-N 1 2 251.355 1.523 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(N2CCCC2)nc1 ZINC001038828330 741059910 /nfs/dbraw/zinc/05/99/10/741059910.db2.gz ZCQAGBLJXNULHN-OAHLLOKOSA-N 1 2 298.390 1.119 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N2CCCC2)nc1 ZINC001038828330 741059912 /nfs/dbraw/zinc/05/99/12/741059912.db2.gz ZCQAGBLJXNULHN-OAHLLOKOSA-N 1 2 298.390 1.119 20 30 CDEDLO C(=[NH+]OC1CCC1)c1cnc(N2CCOCC2)s1 ZINC000812237147 741059991 /nfs/dbraw/zinc/05/99/91/741059991.db2.gz MGEBIWZHPZXRHF-UHFFFAOYSA-N 1 2 267.354 1.883 20 30 CDEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)cs1 ZINC000971212415 741065656 /nfs/dbraw/zinc/06/56/56/741065656.db2.gz YOUHJKDJEKLUNY-ZWNOBZJWSA-N 1 2 292.408 1.644 20 30 CDEDLO Cc1nc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)cs1 ZINC000971212415 741065659 /nfs/dbraw/zinc/06/56/59/741065659.db2.gz YOUHJKDJEKLUNY-ZWNOBZJWSA-N 1 2 292.408 1.644 20 30 CDEDLO Cc1cc(C)c(C(=O)N2CC[C@@H](N(C)CC#N)C2)c(C)[nH+]1 ZINC000971978418 741158361 /nfs/dbraw/zinc/15/83/61/741158361.db2.gz ITNDISKUSSHUEB-CQSZACIVSA-N 1 2 286.379 1.677 20 30 CDEDLO C[N@H+](CCOc1ccc(C#N)cc1)[C@@H]1CC(C)(C)OC1=O ZINC000795710321 741201044 /nfs/dbraw/zinc/20/10/44/741201044.db2.gz NQJGQMNEGVESFZ-CQSZACIVSA-N 1 2 288.347 1.963 20 30 CDEDLO C[N@@H+](CCOc1ccc(C#N)cc1)[C@@H]1CC(C)(C)OC1=O ZINC000795710321 741201051 /nfs/dbraw/zinc/20/10/51/741201051.db2.gz NQJGQMNEGVESFZ-CQSZACIVSA-N 1 2 288.347 1.963 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC001043651225 741099853 /nfs/dbraw/zinc/09/98/53/741099853.db2.gz IWSWDFYJBJZMDL-OAHLLOKOSA-N 1 2 274.339 1.794 20 30 CDEDLO C#CCC(C)(C)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928643337 741311365 /nfs/dbraw/zinc/31/13/65/741311365.db2.gz JRFOQYFGUPEUNU-CYBMUJFWSA-N 1 2 266.385 1.263 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2n[nH]c3c2CCCCC3)C1 ZINC001031390513 741328321 /nfs/dbraw/zinc/32/83/21/741328321.db2.gz PYCCSAYYFKWMPM-UHFFFAOYSA-N 1 2 286.379 1.116 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001038794089 741332950 /nfs/dbraw/zinc/33/29/50/741332950.db2.gz SFFCGJWBPDVGQO-KKUMJFAQSA-N 1 2 276.380 1.181 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001038794089 741332954 /nfs/dbraw/zinc/33/29/54/741332954.db2.gz SFFCGJWBPDVGQO-KKUMJFAQSA-N 1 2 276.380 1.181 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc3sccc3[nH]2)C1 ZINC001031198225 741342961 /nfs/dbraw/zinc/34/29/61/741342961.db2.gz YOJJSPKXLDBWIS-UHFFFAOYSA-N 1 2 273.361 1.667 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCC[C@H]1CC ZINC000884166642 741358591 /nfs/dbraw/zinc/35/85/91/741358591.db2.gz HSYSCVXKYKXXCQ-WOPDTQHZSA-N 1 2 268.357 1.128 20 30 CDEDLO C#C[C@H](NC(=O)NCc1cc(C)[nH+]c(C)c1)[C@H]1CCCO1 ZINC000817165426 741363958 /nfs/dbraw/zinc/36/39/58/741363958.db2.gz MFUZEYWXYPFVLY-LSDHHAIUSA-N 1 2 287.363 1.678 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2ccc(C)cn21 ZINC001038513052 741286366 /nfs/dbraw/zinc/28/63/66/741286366.db2.gz CWARCDZKIJZHPR-CYBMUJFWSA-N 1 2 282.347 1.080 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2ccc(C)cn21 ZINC001038513052 741286370 /nfs/dbraw/zinc/28/63/70/741286370.db2.gz CWARCDZKIJZHPR-CYBMUJFWSA-N 1 2 282.347 1.080 20 30 CDEDLO C=CCN1CCN(C[N@H+](C)CCc2nccs2)C1=O ZINC000840033353 741469609 /nfs/dbraw/zinc/46/96/09/741469609.db2.gz JYCDVZGYRISFGZ-UHFFFAOYSA-N 1 2 280.397 1.499 20 30 CDEDLO C=CCN1CCN(C[N@@H+](C)CCc2nccs2)C1=O ZINC000840033353 741469614 /nfs/dbraw/zinc/46/96/14/741469614.db2.gz JYCDVZGYRISFGZ-UHFFFAOYSA-N 1 2 280.397 1.499 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ncccn2)CC[C@H]1C ZINC001071920678 741502286 /nfs/dbraw/zinc/50/22/86/741502286.db2.gz VWVPAQTWTCWWFK-VXGBXAGGSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ncccn2)CC[C@H]1C ZINC001071920678 741502290 /nfs/dbraw/zinc/50/22/90/741502290.db2.gz VWVPAQTWTCWWFK-VXGBXAGGSA-N 1 2 294.786 1.812 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1ncc(C)s1 ZINC000884231496 741530010 /nfs/dbraw/zinc/53/00/10/741530010.db2.gz SKKGMHHXQVYXTR-UWVGGRQHSA-N 1 2 297.380 1.075 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(Cl)n[nH]c2CC)C1 ZINC001042895607 741599367 /nfs/dbraw/zinc/59/93/67/741599367.db2.gz ZPELLPBTXJNZII-UHFFFAOYSA-N 1 2 294.786 1.405 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2cc(=O)[nH]c(C3CC3)c2)C1 ZINC001042891735 741642640 /nfs/dbraw/zinc/64/26/40/741642640.db2.gz GLDZPTTTWSCPNE-UHFFFAOYSA-N 1 2 287.363 1.607 20 30 CDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)C#Cc1ccccc1 ZINC000840525324 741646805 /nfs/dbraw/zinc/64/68/05/741646805.db2.gz HSROMXGFLRUQMW-UHFFFAOYSA-N 1 2 286.375 1.265 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(CC#N)c1 ZINC000837071832 741711572 /nfs/dbraw/zinc/71/15/72/741711572.db2.gz KGTPJHINVABJHE-HNNXBMFYSA-N 1 2 267.332 1.789 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(CC#N)c1 ZINC000837071832 741711583 /nfs/dbraw/zinc/71/15/83/741711583.db2.gz KGTPJHINVABJHE-HNNXBMFYSA-N 1 2 267.332 1.789 20 30 CDEDLO Oc1c(F)cc(F)cc1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000884442991 741723994 /nfs/dbraw/zinc/72/39/94/741723994.db2.gz WWSAWJHSWJHABH-VXGBXAGGSA-N 1 2 294.305 1.864 20 30 CDEDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000245763131 741772373 /nfs/dbraw/zinc/77/23/73/741772373.db2.gz QDZZJBJXVVUVQI-DOMZBBRYSA-N 1 2 287.363 1.688 20 30 CDEDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000245763131 741772385 /nfs/dbraw/zinc/77/23/85/741772385.db2.gz QDZZJBJXVVUVQI-DOMZBBRYSA-N 1 2 287.363 1.688 20 30 CDEDLO N#CCCOCC[N@@H+](CCO)Cc1cccnc1Cl ZINC000815105732 741803525 /nfs/dbraw/zinc/80/35/25/741803525.db2.gz ISNODIOTVYSCOV-UHFFFAOYSA-N 1 2 283.759 1.460 20 30 CDEDLO N#CCCOCC[N@H+](CCO)Cc1cccnc1Cl ZINC000815105732 741803527 /nfs/dbraw/zinc/80/35/27/741803527.db2.gz ISNODIOTVYSCOV-UHFFFAOYSA-N 1 2 283.759 1.460 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)n(C(C)(C)C)n1 ZINC001039018784 741813655 /nfs/dbraw/zinc/81/36/55/741813655.db2.gz MZSJELZKUYPOKI-CYBMUJFWSA-N 1 2 288.395 1.384 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)n(C(C)(C)C)n1 ZINC001039018784 741813657 /nfs/dbraw/zinc/81/36/57/741813657.db2.gz MZSJELZKUYPOKI-CYBMUJFWSA-N 1 2 288.395 1.384 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2snnc2C(C)C)C1 ZINC001015890486 741815383 /nfs/dbraw/zinc/81/53/83/741815383.db2.gz QEJIREIQJMBGSR-LLVKDONJSA-N 1 2 292.408 1.489 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2snnc2C(C)C)C1 ZINC001015890486 741815385 /nfs/dbraw/zinc/81/53/85/741815385.db2.gz QEJIREIQJMBGSR-LLVKDONJSA-N 1 2 292.408 1.489 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC(F)(F)CC1 ZINC000884431674 741826043 /nfs/dbraw/zinc/82/60/43/741826043.db2.gz AYCNWBDUYWUKBH-JTQLQIEISA-N 1 2 290.310 1.081 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC001030606108 741847776 /nfs/dbraw/zinc/84/77/76/741847776.db2.gz TYNOLTPYXGVMHC-UHFFFAOYSA-N 1 2 284.363 1.861 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1ccc(C)n1 ZINC001032558719 741849345 /nfs/dbraw/zinc/84/93/45/741849345.db2.gz FCCWUSSWKCJSNW-ILXRZTDVSA-N 1 2 286.379 1.061 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1ccc(C)n1 ZINC001032558719 741849346 /nfs/dbraw/zinc/84/93/46/741849346.db2.gz FCCWUSSWKCJSNW-ILXRZTDVSA-N 1 2 286.379 1.061 20 30 CDEDLO CCOc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000819390493 741864214 /nfs/dbraw/zinc/86/42/14/741864214.db2.gz ZXGUHXHHDJFSPE-AWEZNQCLSA-N 1 2 277.368 1.704 20 30 CDEDLO CCOc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000819390493 741864215 /nfs/dbraw/zinc/86/42/15/741864215.db2.gz ZXGUHXHHDJFSPE-AWEZNQCLSA-N 1 2 277.368 1.704 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC12CCOCC2 ZINC001018354115 741876620 /nfs/dbraw/zinc/87/66/20/741876620.db2.gz QFUMGSIPKYKFFZ-QLFBSQMISA-N 1 2 288.391 1.112 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC12CCOCC2 ZINC001018354115 741876622 /nfs/dbraw/zinc/87/66/22/741876622.db2.gz QFUMGSIPKYKFFZ-QLFBSQMISA-N 1 2 288.391 1.112 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1c(C)n[nH]c1C ZINC001028203888 741884225 /nfs/dbraw/zinc/88/42/25/741884225.db2.gz FDHVBLNFLSFFGH-LBPRGKRZSA-N 1 2 296.802 1.973 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)n[nH]c1C ZINC001028203888 741884227 /nfs/dbraw/zinc/88/42/27/741884227.db2.gz FDHVBLNFLSFFGH-LBPRGKRZSA-N 1 2 296.802 1.973 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CCCCC1 ZINC001050797185 741889853 /nfs/dbraw/zinc/88/98/53/741889853.db2.gz IRBDLOFTFNKIFA-HNNXBMFYSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C1CCCCC1 ZINC001050797185 741889855 /nfs/dbraw/zinc/88/98/55/741889855.db2.gz IRBDLOFTFNKIFA-HNNXBMFYSA-N 1 2 280.412 1.960 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccn2ccnc12 ZINC001018064096 741954992 /nfs/dbraw/zinc/95/49/92/741954992.db2.gz VGGMSMBYQALNDR-OKILXGFUSA-N 1 2 294.358 1.256 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccn2ccnc12 ZINC001018064096 741954999 /nfs/dbraw/zinc/95/49/99/741954999.db2.gz VGGMSMBYQALNDR-OKILXGFUSA-N 1 2 294.358 1.256 20 30 CDEDLO CCc1ccc(C#CC(=O)NCCc2c[nH+]cn2C)cc1 ZINC000816046374 741922686 /nfs/dbraw/zinc/92/26/86/741922686.db2.gz XJFYIENKYGHUEL-UHFFFAOYSA-N 1 2 281.359 1.693 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1oncc1C ZINC001018130675 741962426 /nfs/dbraw/zinc/96/24/26/741962426.db2.gz GJVQVVQHICMQSM-TXEJJXNPSA-N 1 2 261.325 1.458 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1oncc1C ZINC001018130675 741962431 /nfs/dbraw/zinc/96/24/31/741962431.db2.gz GJVQVVQHICMQSM-TXEJJXNPSA-N 1 2 261.325 1.458 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NCC[C@@H](O)COC ZINC000853465905 741947336 /nfs/dbraw/zinc/94/73/36/741947336.db2.gz ZTNVLRHEBJSLGJ-CYBMUJFWSA-N 1 2 278.352 1.683 20 30 CDEDLO N#CCN1CCCC[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001024550229 742002515 /nfs/dbraw/zinc/00/25/15/742002515.db2.gz DTOJJDLYMPBCRZ-ZDUSSCGKSA-N 1 2 297.362 1.442 20 30 CDEDLO C#CCC[C@H](O)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000798419203 742007276 /nfs/dbraw/zinc/00/72/76/742007276.db2.gz CWMWFBYIJBYWMM-LBPRGKRZSA-N 1 2 260.341 1.263 20 30 CDEDLO C#CCC[C@H](O)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000798419203 742007283 /nfs/dbraw/zinc/00/72/83/742007283.db2.gz CWMWFBYIJBYWMM-LBPRGKRZSA-N 1 2 260.341 1.263 20 30 CDEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000834678450 742016917 /nfs/dbraw/zinc/01/69/17/742016917.db2.gz HDJGPWGBWNXCTA-ZDUSSCGKSA-N 1 2 266.304 1.628 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)o1 ZINC001038063833 741988112 /nfs/dbraw/zinc/98/81/12/741988112.db2.gz LUKXVXGWOFAPIB-SECBINFHSA-N 1 2 254.717 1.923 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)o1 ZINC001038063833 741988119 /nfs/dbraw/zinc/98/81/19/741988119.db2.gz LUKXVXGWOFAPIB-SECBINFHSA-N 1 2 254.717 1.923 20 30 CDEDLO CC[C@@H](CO)[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000930923167 742353277 /nfs/dbraw/zinc/35/32/77/742353277.db2.gz KASYHYYMJPEGQY-ZFWWWQNUSA-N 1 2 259.353 1.710 20 30 CDEDLO CC[C@@H](CO)[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000930923167 742353285 /nfs/dbraw/zinc/35/32/85/742353285.db2.gz KASYHYYMJPEGQY-ZFWWWQNUSA-N 1 2 259.353 1.710 20 30 CDEDLO Nc1ncc(C=[NH+][N-]c2[nH]c3cc(F)c(F)cc3[nH+]2)cn1 ZINC000781589155 742420144 /nfs/dbraw/zinc/42/01/44/742420144.db2.gz CZSBTSSRBLUYLB-UHFFFAOYSA-N 1 2 289.249 1.659 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934420076 742319061 /nfs/dbraw/zinc/31/90/61/742319061.db2.gz YMDJCYLJFHAZQH-CYBMUJFWSA-N 1 2 296.374 1.646 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934420076 742319069 /nfs/dbraw/zinc/31/90/69/742319069.db2.gz YMDJCYLJFHAZQH-CYBMUJFWSA-N 1 2 296.374 1.646 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)N2CCC[C@H](CC#N)C2)CCO1 ZINC000853607442 739245910 /nfs/dbraw/zinc/24/59/10/739245910.db2.gz ZKMGIMUDGLPOCP-UONOGXRCSA-N 1 2 294.399 1.042 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)N2CCC[C@H](CC#N)C2)CCO1 ZINC000853607442 739245913 /nfs/dbraw/zinc/24/59/13/739245913.db2.gz ZKMGIMUDGLPOCP-UONOGXRCSA-N 1 2 294.399 1.042 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(CO)(CO)CC1 ZINC000879970870 739248894 /nfs/dbraw/zinc/24/88/94/739248894.db2.gz FZAUWKKBROEESH-UHFFFAOYSA-N 1 2 294.782 1.778 20 30 CDEDLO C=C(C)CC[NH+]1CC(NC(=O)c2cnc(COC)s2)C1 ZINC001031489175 739358655 /nfs/dbraw/zinc/35/86/55/739358655.db2.gz QFKCUFLLQHUQHX-UHFFFAOYSA-N 1 2 295.408 1.670 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001016158249 739414575 /nfs/dbraw/zinc/41/45/75/739414575.db2.gz CEQUZRDYXNBUTJ-LLVKDONJSA-N 1 2 281.743 1.344 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001016158249 739414590 /nfs/dbraw/zinc/41/45/90/739414590.db2.gz CEQUZRDYXNBUTJ-LLVKDONJSA-N 1 2 281.743 1.344 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)c[nH]1 ZINC001032272882 739491869 /nfs/dbraw/zinc/49/18/69/739491869.db2.gz MSYKCCBYEOQLCC-RYUDHWBXSA-N 1 2 277.755 1.590 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)c[nH]1 ZINC001032272882 739491872 /nfs/dbraw/zinc/49/18/72/739491872.db2.gz MSYKCCBYEOQLCC-RYUDHWBXSA-N 1 2 277.755 1.590 20 30 CDEDLO C[C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CN1CC#N ZINC001071611131 739508501 /nfs/dbraw/zinc/50/85/01/739508501.db2.gz ZPGVOXJJEPBROC-AAEUAGOBSA-N 1 2 297.362 1.669 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(C)cc(C)nc2C)C1 ZINC001043411949 739533484 /nfs/dbraw/zinc/53/34/84/739533484.db2.gz UWYMQMAJJYNCHW-UHFFFAOYSA-N 1 2 285.391 1.786 20 30 CDEDLO C=C1CC(C)(C(=O)NC2C[NH+]([C@H](C)COC)C2)C1 ZINC001030923691 739562671 /nfs/dbraw/zinc/56/26/71/739562671.db2.gz BNBKKNJRVHHQCL-LLVKDONJSA-N 1 2 252.358 1.178 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2COc3ccccc3C2)C1 ZINC001030640375 739581231 /nfs/dbraw/zinc/58/12/31/739581231.db2.gz CFSWJKYOQVGLKX-AWEZNQCLSA-N 1 2 286.375 1.614 20 30 CDEDLO N#CCN1CCC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000933484030 739589370 /nfs/dbraw/zinc/58/93/70/739589370.db2.gz VGFZEAHDCYNWLU-UHFFFAOYSA-N 1 2 297.362 1.528 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccoc2CC)C1 ZINC001035355509 739632182 /nfs/dbraw/zinc/63/21/82/739632182.db2.gz WYPFJXJQTAPNRC-CYBMUJFWSA-N 1 2 292.379 1.849 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccoc2CC)C1 ZINC001035355509 739632190 /nfs/dbraw/zinc/63/21/90/739632190.db2.gz WYPFJXJQTAPNRC-CYBMUJFWSA-N 1 2 292.379 1.849 20 30 CDEDLO N#Cc1ccc(C(=O)NCC[NH+]2Cc3ccccc3C2)o1 ZINC000794255485 739661483 /nfs/dbraw/zinc/66/14/83/739661483.db2.gz QVXNUHJAYJBBFR-UHFFFAOYSA-N 1 2 281.315 1.897 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(C)s1 ZINC000884070927 739668207 /nfs/dbraw/zinc/66/82/07/739668207.db2.gz CJDLGDFBAJFGAR-NSHDSACASA-N 1 2 282.365 1.119 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCCO1 ZINC001050868822 739816793 /nfs/dbraw/zinc/81/67/93/739816793.db2.gz NWOVIFQNWWOOBO-LSDHHAIUSA-N 1 2 296.411 1.339 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCCO1 ZINC001050868822 739816795 /nfs/dbraw/zinc/81/67/95/739816795.db2.gz NWOVIFQNWWOOBO-LSDHHAIUSA-N 1 2 296.411 1.339 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C)c2c(C)n[nH]c2C)C1 ZINC001044061171 739852073 /nfs/dbraw/zinc/85/20/73/739852073.db2.gz OPLFWTZDILFOOC-LLVKDONJSA-N 1 2 290.411 1.849 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2ccc(OC)cc2)C1 ZINC001031301838 739852197 /nfs/dbraw/zinc/85/21/97/739852197.db2.gz OTXIUCSNVDJTCE-UHFFFAOYSA-N 1 2 260.337 1.224 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cncn2C)[C@@H]1C ZINC000993535972 739874262 /nfs/dbraw/zinc/87/42/62/739874262.db2.gz JXSDBMVBIDMARS-NWDGAFQWSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cncn2C)[C@@H]1C ZINC000993535972 739874264 /nfs/dbraw/zinc/87/42/64/739874264.db2.gz JXSDBMVBIDMARS-NWDGAFQWSA-N 1 2 296.802 1.755 20 30 CDEDLO C#CC1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC000882534063 739921066 /nfs/dbraw/zinc/92/10/66/739921066.db2.gz XMCFTXPHNBXRNU-LBPRGKRZSA-N 1 2 257.337 1.508 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2coc(CC3CC3)n2)C1 ZINC001031166327 740001948 /nfs/dbraw/zinc/00/19/48/740001948.db2.gz AROJSCQJMKHASZ-UHFFFAOYSA-N 1 2 275.352 1.617 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1CCC)CO2 ZINC001053918780 740015159 /nfs/dbraw/zinc/01/51/59/740015159.db2.gz VOBIFFWJBPYIPE-RBSFLKMASA-N 1 2 292.423 1.958 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001051194902 740052331 /nfs/dbraw/zinc/05/23/31/740052331.db2.gz OBKIQSJNPTZMMH-CABCVRRESA-N 1 2 292.423 1.960 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001051194902 740052338 /nfs/dbraw/zinc/05/23/38/740052338.db2.gz OBKIQSJNPTZMMH-CABCVRRESA-N 1 2 292.423 1.960 20 30 CDEDLO C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000864788239 740113985 /nfs/dbraw/zinc/11/39/85/740113985.db2.gz CUMCAZQLYMOQGW-SFAKSCPVSA-N 1 2 299.374 1.624 20 30 CDEDLO C#Cc1ccccc1CC(=O)Nc1cc[nH+]c(C)c1 ZINC000809987237 740261604 /nfs/dbraw/zinc/26/16/04/740261604.db2.gz XFLNHWMDQDOVJA-UHFFFAOYSA-N 1 2 250.301 1.974 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C(C)(C)c2ccccc2F)C1 ZINC001031106745 740275879 /nfs/dbraw/zinc/27/58/79/740275879.db2.gz SLGGJUUPEZEJPS-UHFFFAOYSA-N 1 2 288.366 1.927 20 30 CDEDLO CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1NCC#N ZINC001037894755 740312482 /nfs/dbraw/zinc/31/24/82/740312482.db2.gz CXHUFVOTZMCQSN-KGLIPLIRSA-N 1 2 289.383 1.013 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C)cc2C)C1 ZINC001031339056 740318446 /nfs/dbraw/zinc/31/84/46/740318446.db2.gz BORWHIWYSPDHHB-UHFFFAOYSA-N 1 2 256.349 1.741 20 30 CDEDLO CC(C)(C)c1nc(CO[NH+]=C(N)Cc2cccnc2)no1 ZINC000092914854 740387922 /nfs/dbraw/zinc/38/79/22/740387922.db2.gz GPIIEWYZNWURRE-UHFFFAOYSA-N 1 2 289.339 1.794 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccc3c(c2)NC(=O)C3)C1 ZINC001042953584 740418838 /nfs/dbraw/zinc/41/88/38/740418838.db2.gz RNERTLAWEQETRR-UHFFFAOYSA-N 1 2 299.374 1.052 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cncc2ccccc21 ZINC001039041951 740442112 /nfs/dbraw/zinc/44/21/12/740442112.db2.gz KDDRNRQGMCTFEJ-CQSZACIVSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncc2ccccc21 ZINC001039041951 740442117 /nfs/dbraw/zinc/44/21/17/740442117.db2.gz KDDRNRQGMCTFEJ-CQSZACIVSA-N 1 2 279.343 1.672 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(C)c(C)n2)C1 ZINC001030683541 740469710 /nfs/dbraw/zinc/46/97/10/740469710.db2.gz OEMHWNYMZQHHJC-UHFFFAOYSA-N 1 2 259.353 1.689 20 30 CDEDLO C=CCN(CC=C)C(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000079862497 740538103 /nfs/dbraw/zinc/53/81/03/740538103.db2.gz ZCKJWGCRUFTFHA-UHFFFAOYSA-N 1 2 287.363 1.719 20 30 CDEDLO O=C(C#Cc1cccs1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857941804 740543448 /nfs/dbraw/zinc/54/34/48/740543448.db2.gz NRFOZYLVPBCIIP-LLVKDONJSA-N 1 2 271.345 1.427 20 30 CDEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000591010470 740552161 /nfs/dbraw/zinc/55/21/61/740552161.db2.gz BRGCMZFDBQHHIV-CQSZACIVSA-N 1 2 278.400 1.902 20 30 CDEDLO N#CCc1cccc(NC(=O)NCCCn2cc[nH+]c2)n1 ZINC000881156227 740607491 /nfs/dbraw/zinc/60/74/91/740607491.db2.gz QVPWBAAXYLSCIB-UHFFFAOYSA-N 1 2 284.323 1.556 20 30 CDEDLO CC#CCCCC(=O)O[C@@H](COC)C[N@@H+]1CCO[C@H](C)C1 ZINC000842972943 740642599 /nfs/dbraw/zinc/64/25/99/740642599.db2.gz JURNLBJNGVDJNW-HUUCEWRRSA-N 1 2 297.395 1.459 20 30 CDEDLO CC#CCCCC(=O)O[C@@H](COC)C[N@H+]1CCO[C@H](C)C1 ZINC000842972943 740642605 /nfs/dbraw/zinc/64/26/05/740642605.db2.gz JURNLBJNGVDJNW-HUUCEWRRSA-N 1 2 297.395 1.459 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1nc(CC)cc(=O)[nH]1)[C@@H]1CCCO1 ZINC000775791943 740649230 /nfs/dbraw/zinc/64/92/30/740649230.db2.gz XQIVYEILXPLANA-NEPJUHHUSA-N 1 2 261.325 1.015 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](O)COC ZINC000853582346 740767729 /nfs/dbraw/zinc/76/77/29/740767729.db2.gz KXYNXAOOIWXKGR-GFCCVEGCSA-N 1 2 264.325 1.293 20 30 CDEDLO N#C[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000928216717 740777583 /nfs/dbraw/zinc/77/75/83/740777583.db2.gz JZFZXDQGPQSATC-RYUDHWBXSA-N 1 2 258.325 1.208 20 30 CDEDLO C[C@@H]1C[NH+]=C(NN=Cc2conc2Cc2ccccc2)N1 ZINC000814897826 740804839 /nfs/dbraw/zinc/80/48/39/740804839.db2.gz NFSKGUIASOSDLR-LLVKDONJSA-N 1 2 283.335 1.537 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CO[C@@H](C)C1 ZINC001017675816 740814774 /nfs/dbraw/zinc/81/47/74/740814774.db2.gz KZJRUUXKSGUDPW-ZQDZILKHSA-N 1 2 276.380 1.110 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CO[C@@H](C)C1 ZINC001017675816 740814775 /nfs/dbraw/zinc/81/47/75/740814775.db2.gz KZJRUUXKSGUDPW-ZQDZILKHSA-N 1 2 276.380 1.110 20 30 CDEDLO CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001038000825 740852187 /nfs/dbraw/zinc/85/21/87/740852187.db2.gz DPGDNTZJPODFCI-CYBMUJFWSA-N 1 2 261.300 1.408 20 30 CDEDLO CC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001038000825 740852189 /nfs/dbraw/zinc/85/21/89/740852189.db2.gz DPGDNTZJPODFCI-CYBMUJFWSA-N 1 2 261.300 1.408 20 30 CDEDLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)s1 ZINC001032237745 740860280 /nfs/dbraw/zinc/86/02/80/740860280.db2.gz RYZUOBSTKWVVHN-QWRGUYRKSA-N 1 2 275.377 1.815 20 30 CDEDLO CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)s1 ZINC001032237745 740860282 /nfs/dbraw/zinc/86/02/82/740860282.db2.gz RYZUOBSTKWVVHN-QWRGUYRKSA-N 1 2 275.377 1.815 20 30 CDEDLO C[C@H](C#N)OCC[N@@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000817299147 740867632 /nfs/dbraw/zinc/86/76/32/740867632.db2.gz VXYLYUYSRKKVGO-HIFRSBDPSA-N 1 2 293.411 1.686 20 30 CDEDLO C[C@H](C#N)OCC[N@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000817299147 740867635 /nfs/dbraw/zinc/86/76/35/740867635.db2.gz VXYLYUYSRKKVGO-HIFRSBDPSA-N 1 2 293.411 1.686 20 30 CDEDLO O=C(C#CC1CC1)OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817189636 740869914 /nfs/dbraw/zinc/86/99/14/740869914.db2.gz ARPGLGNXFNWTGE-UHFFFAOYSA-N 1 2 299.370 1.975 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cc1nc2cc(C(=O)OC)ccc2[nH]1 ZINC000851990887 740874814 /nfs/dbraw/zinc/87/48/14/740874814.db2.gz YQDXQOHGLUAAGX-JTQLQIEISA-N 1 2 271.320 1.803 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cc1nc2cc(C(=O)OC)ccc2[nH]1 ZINC000851990887 740874819 /nfs/dbraw/zinc/87/48/19/740874819.db2.gz YQDXQOHGLUAAGX-JTQLQIEISA-N 1 2 271.320 1.803 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(F)F)ncn1 ZINC001038402496 740921101 /nfs/dbraw/zinc/92/11/01/740921101.db2.gz ZXLODAFYUWKFPA-SNVBAGLBSA-N 1 2 294.305 1.242 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(F)F)ncn1 ZINC001038402496 740921103 /nfs/dbraw/zinc/92/11/03/740921103.db2.gz ZXLODAFYUWKFPA-SNVBAGLBSA-N 1 2 294.305 1.242 20 30 CDEDLO COc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000819389226 740943836 /nfs/dbraw/zinc/94/38/36/740943836.db2.gz LFWIHDIGUFICPW-ZDUSSCGKSA-N 1 2 263.341 1.313 20 30 CDEDLO COc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000819389226 740943841 /nfs/dbraw/zinc/94/38/41/740943841.db2.gz LFWIHDIGUFICPW-ZDUSSCGKSA-N 1 2 263.341 1.313 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000798396674 740968553 /nfs/dbraw/zinc/96/85/53/740968553.db2.gz CYIYHVDETLLRFO-CHWSQXEVSA-N 1 2 269.389 1.361 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000798396674 740968558 /nfs/dbraw/zinc/96/85/58/740968558.db2.gz CYIYHVDETLLRFO-CHWSQXEVSA-N 1 2 269.389 1.361 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccc(N(C)C)c2)C1 ZINC001044226998 740979557 /nfs/dbraw/zinc/97/95/57/740979557.db2.gz MYBMCOJCYNJNBO-UHFFFAOYSA-N 1 2 285.391 1.532 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccc(C)c(OC)c2)C1 ZINC001043281047 741027572 /nfs/dbraw/zinc/02/75/72/741027572.db2.gz SRJMZQYWUNJYCI-UHFFFAOYSA-N 1 2 288.391 1.875 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2COc3ccccc32)C1 ZINC001031478643 741068129 /nfs/dbraw/zinc/06/81/29/741068129.db2.gz SPRYKOCKDYLKOA-AWEZNQCLSA-N 1 2 272.348 1.539 20 30 CDEDLO C#CCSCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845590613 741103017 /nfs/dbraw/zinc/10/30/17/741103017.db2.gz VILJRWVEDAOAJS-LLVKDONJSA-N 1 2 251.355 1.317 20 30 CDEDLO Cc1csc(SC[C@H](O)C[N@H+](C)CCC#N)n1 ZINC000840734845 741108600 /nfs/dbraw/zinc/10/86/00/741108600.db2.gz FMQFKUVSGOOSQZ-SNVBAGLBSA-N 1 2 271.411 1.750 20 30 CDEDLO Cc1csc(SC[C@H](O)C[N@@H+](C)CCC#N)n1 ZINC000840734845 741108607 /nfs/dbraw/zinc/10/86/07/741108607.db2.gz FMQFKUVSGOOSQZ-SNVBAGLBSA-N 1 2 271.411 1.750 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1nc(CC)oc1C ZINC001038804956 741124844 /nfs/dbraw/zinc/12/48/44/741124844.db2.gz UJKLYBYXPURKPM-LLVKDONJSA-N 1 2 263.341 1.536 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc(CC)oc1C ZINC001038804956 741124848 /nfs/dbraw/zinc/12/48/48/741124848.db2.gz UJKLYBYXPURKPM-LLVKDONJSA-N 1 2 263.341 1.536 20 30 CDEDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000245763137 741173985 /nfs/dbraw/zinc/17/39/85/741173985.db2.gz QDZZJBJXVVUVQI-IUODEOHRSA-N 1 2 287.363 1.688 20 30 CDEDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000245763137 741173991 /nfs/dbraw/zinc/17/39/91/741173991.db2.gz QDZZJBJXVVUVQI-IUODEOHRSA-N 1 2 287.363 1.688 20 30 CDEDLO C#CCC(C)(C)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000854729448 741183916 /nfs/dbraw/zinc/18/39/16/741183916.db2.gz WYWJWUZPITVGRD-CQSZACIVSA-N 1 2 278.396 1.359 20 30 CDEDLO C#C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC000807877978 741202579 /nfs/dbraw/zinc/20/25/79/741202579.db2.gz CIEYJISDURICQD-VXGBXAGGSA-N 1 2 259.353 1.610 20 30 CDEDLO C#CCCNc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000853331634 741257781 /nfs/dbraw/zinc/25/77/81/741257781.db2.gz ZNOBLGMETKFQLU-UHFFFAOYSA-N 1 2 260.341 1.263 20 30 CDEDLO C#CCCNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000853331634 741257786 /nfs/dbraw/zinc/25/77/86/741257786.db2.gz ZNOBLGMETKFQLU-UHFFFAOYSA-N 1 2 260.341 1.263 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(C)=O)cc1C#N ZINC001038000515 741293032 /nfs/dbraw/zinc/29/30/32/741293032.db2.gz CDQGJFFFIDKHKN-AWEZNQCLSA-N 1 2 273.336 1.277 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(C)=O)cc1C#N ZINC001038000515 741293040 /nfs/dbraw/zinc/29/30/40/741293040.db2.gz CDQGJFFFIDKHKN-AWEZNQCLSA-N 1 2 273.336 1.277 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2csc3nccn23)C1 ZINC001031392483 741320248 /nfs/dbraw/zinc/32/02/48/741320248.db2.gz NCTOYSYMEIPKSI-UHFFFAOYSA-N 1 2 290.392 1.315 20 30 CDEDLO CC(C)(C#N)C[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000809639788 741334154 /nfs/dbraw/zinc/33/41/54/741334154.db2.gz NHULMLGIQBWSOJ-UHFFFAOYSA-N 1 2 267.354 1.828 20 30 CDEDLO CON=Cc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000255423587 741360326 /nfs/dbraw/zinc/36/03/26/741360326.db2.gz WMUWVUJGMJBSFS-UHFFFAOYSA-N 1 2 272.308 1.363 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnoc1C(C)C ZINC001038873962 741418887 /nfs/dbraw/zinc/41/88/87/741418887.db2.gz MSKWGHBHMLOQCN-GFCCVEGCSA-N 1 2 275.352 1.625 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnoc1C(C)C ZINC001038873962 741418889 /nfs/dbraw/zinc/41/88/89/741418889.db2.gz MSKWGHBHMLOQCN-GFCCVEGCSA-N 1 2 275.352 1.625 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](C)c2cccnc2)C1 ZINC001044198678 741456899 /nfs/dbraw/zinc/45/68/99/741456899.db2.gz XCHNFOWXEKVFJC-ZDUSSCGKSA-N 1 2 273.380 1.904 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccccc2OCC)C1 ZINC001031336169 741463822 /nfs/dbraw/zinc/46/38/22/741463822.db2.gz POFWZZJYQLGRQH-UHFFFAOYSA-N 1 2 272.348 1.523 20 30 CDEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](CC=C(C)C)C2)nc1 ZINC001044202770 741547116 /nfs/dbraw/zinc/54/71/16/741547116.db2.gz DIBYDGTZFXHBOC-UHFFFAOYSA-N 1 2 283.375 1.785 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)nnc1CC ZINC001038427983 741550221 /nfs/dbraw/zinc/55/02/21/741550221.db2.gz VYPLKHCJBSXYBV-ZDUSSCGKSA-N 1 2 286.379 1.175 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)nnc1CC ZINC001038427983 741550226 /nfs/dbraw/zinc/55/02/26/741550226.db2.gz VYPLKHCJBSXYBV-ZDUSSCGKSA-N 1 2 286.379 1.175 20 30 CDEDLO COC[C@@](C)(C#N)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934719236 741565271 /nfs/dbraw/zinc/56/52/71/741565271.db2.gz VOLHCECGGFJXQD-CYBMUJFWSA-N 1 2 258.281 1.221 20 30 CDEDLO O=C(C#CC1CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000837318276 741581143 /nfs/dbraw/zinc/58/11/43/741581143.db2.gz YJCUCMKCJQBWTQ-UHFFFAOYSA-N 1 2 284.359 1.871 20 30 CDEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2C(C)C)C1 ZINC001047501716 741585481 /nfs/dbraw/zinc/58/54/81/741585481.db2.gz UHUIQDZEULLGJQ-KBPBESRZSA-N 1 2 290.363 1.153 20 30 CDEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2C(C)C)C1 ZINC001047501716 741585487 /nfs/dbraw/zinc/58/54/87/741585487.db2.gz UHUIQDZEULLGJQ-KBPBESRZSA-N 1 2 290.363 1.153 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccoc1Cl ZINC001038189265 741621452 /nfs/dbraw/zinc/62/14/52/741621452.db2.gz DZFWKCVQENWTQT-SNVBAGLBSA-N 1 2 266.728 1.760 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccoc1Cl ZINC001038189265 741621465 /nfs/dbraw/zinc/62/14/65/741621465.db2.gz DZFWKCVQENWTQT-SNVBAGLBSA-N 1 2 266.728 1.760 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2cc(OC)cs2)C1 ZINC001030780345 741677276 /nfs/dbraw/zinc/67/72/76/741677276.db2.gz RRMPONXFNZGVOD-UHFFFAOYSA-N 1 2 266.366 1.747 20 30 CDEDLO C=CCC1(O)CC[NH+]([C@@H](C)c2nc(COC)no2)CC1 ZINC000886777053 741684230 /nfs/dbraw/zinc/68/42/30/741684230.db2.gz XAHNBFVZLUVXIZ-NSHDSACASA-N 1 2 281.356 1.680 20 30 CDEDLO CC#CC(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000870134485 741684322 /nfs/dbraw/zinc/68/43/22/741684322.db2.gz PUFABISIHYBZIF-UHFFFAOYSA-N 1 2 258.321 1.060 20 30 CDEDLO C#CCOc1cccc(Cl)c1C[NH2+]CC(=O)N(C)C ZINC000778151299 741805192 /nfs/dbraw/zinc/80/51/92/741805192.db2.gz JYAPBNNMLVYNJC-UHFFFAOYSA-N 1 2 280.755 1.530 20 30 CDEDLO C#CC[N@H+]1CCC2(CN(C(=O)c3cccc4[nH]cnc43)C2)C1 ZINC001073071305 741823446 /nfs/dbraw/zinc/82/34/46/741823446.db2.gz QHTTXLNGJOWNIM-UHFFFAOYSA-N 1 2 294.358 1.344 20 30 CDEDLO C#CC[N@@H+]1CCC2(CN(C(=O)c3cccc4[nH]cnc43)C2)C1 ZINC001073071305 741823447 /nfs/dbraw/zinc/82/34/47/741823447.db2.gz QHTTXLNGJOWNIM-UHFFFAOYSA-N 1 2 294.358 1.344 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC23CC3)C1 ZINC001035414588 741845374 /nfs/dbraw/zinc/84/53/74/741845374.db2.gz BDKBJKCYQPQUCO-GJZGRUSLSA-N 1 2 292.423 1.960 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC23CC3)C1 ZINC001035414588 741845378 /nfs/dbraw/zinc/84/53/78/741845378.db2.gz BDKBJKCYQPQUCO-GJZGRUSLSA-N 1 2 292.423 1.960 20 30 CDEDLO C=C(C)CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444104461 741851185 /nfs/dbraw/zinc/85/11/85/741851185.db2.gz YFCPQDKIDIYBNG-GFCCVEGCSA-N 1 2 262.357 1.885 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC001042723830 741916440 /nfs/dbraw/zinc/91/64/40/741916440.db2.gz LYHHHNPYRVCWNR-CYBMUJFWSA-N 1 2 288.395 1.548 20 30 CDEDLO C=CCOC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247009585 741967764 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C=CCN1CCN(C[N@H+](C)CCOCC2CC2)C1=O ZINC000840022911 742097199 /nfs/dbraw/zinc/09/71/99/742097199.db2.gz JNIVBEWJEHBKPL-UHFFFAOYSA-N 1 2 267.373 1.226 20 30 CDEDLO C=CCN1CCN(C[N@@H+](C)CCOCC2CC2)C1=O ZINC000840022911 742097206 /nfs/dbraw/zinc/09/72/06/742097206.db2.gz JNIVBEWJEHBKPL-UHFFFAOYSA-N 1 2 267.373 1.226 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1Cc2ccncc2C1 ZINC001017951138 742118954 /nfs/dbraw/zinc/11/89/54/742118954.db2.gz ZGNBCOOUBUGEDP-BHYGNILZSA-N 1 2 295.386 1.105 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1Cc2ccncc2C1 ZINC001017951138 742118990 /nfs/dbraw/zinc/11/89/90/742118990.db2.gz ZGNBCOOUBUGEDP-BHYGNILZSA-N 1 2 295.386 1.105 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3c(c2)ncn3C)C1 ZINC001030558703 742142183 /nfs/dbraw/zinc/14/21/83/742142183.db2.gz PHQFYQNQQBZHIT-UHFFFAOYSA-N 1 2 284.363 1.563 20 30 CDEDLO NC(CCO)=[NH+]OCc1nnc(-c2cccc(Cl)c2)o1 ZINC000121365162 742149124 /nfs/dbraw/zinc/14/91/24/742149124.db2.gz QEAOFGFPLPWEJO-UHFFFAOYSA-N 1 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278.396 1.664 20 30 CDEDLO C=C1CC(C)(C(=O)N2CC[C@H]3OCC[N@H+](CC)[C@H]3C2)C1 ZINC001074334050 742815938 /nfs/dbraw/zinc/81/59/38/742815938.db2.gz LTGKWWOFCDOGMB-UONOGXRCSA-N 1 2 278.396 1.664 20 30 CDEDLO C=CCn1cccc1C(=O)NC[C@H]1COCC[N@H+]1CC ZINC001050956934 742818978 /nfs/dbraw/zinc/81/89/78/742818978.db2.gz YLQPMVRXKSCJSC-ZDUSSCGKSA-N 1 2 277.368 1.125 20 30 CDEDLO C=CCn1cccc1C(=O)NC[C@H]1COCC[N@@H+]1CC ZINC001050956934 742818981 /nfs/dbraw/zinc/81/89/81/742818981.db2.gz YLQPMVRXKSCJSC-ZDUSSCGKSA-N 1 2 277.368 1.125 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC001031391502 742821065 /nfs/dbraw/zinc/82/10/65/742821065.db2.gz HVELZOYGLBCTJQ-UHFFFAOYSA-N 1 2 287.363 1.266 20 30 CDEDLO C=CCOC1CCC([NH2+][C@H](C(=O)OC)[C@@H](C)O)CC1 ZINC001173311682 912405197 /nfs/dbraw/zinc/40/51/97/912405197.db2.gz NXGIAGSUQXDZPE-XVSSEFHLSA-N 1 2 271.357 1.012 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c[nH]nc2-c2ccccc2)C1 ZINC001030756786 912685553 /nfs/dbraw/zinc/68/55/53/912685553.db2.gz 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/nfs/dbraw/zinc/92/26/50/895922650.db2.gz BPNCKISWXQAZCC-UHFFFAOYSA-N 1 2 254.289 1.729 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ocnc1C1CC1 ZINC001480913459 896582785 /nfs/dbraw/zinc/58/27/85/896582785.db2.gz OLEKELUOQLHWRI-UHFFFAOYSA-N 1 2 283.759 1.966 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ocnc1C1CC1 ZINC001480913459 896582798 /nfs/dbraw/zinc/58/27/98/896582798.db2.gz OLEKELUOQLHWRI-UHFFFAOYSA-N 1 2 283.759 1.966 20 30 CDEDLO N#Cc1cc(NCc2cc[nH+]c(N)c2)nc(C2CC2)n1 ZINC001167616781 897056787 /nfs/dbraw/zinc/05/67/87/897056787.db2.gz AAHHQBAIOMQRKV-UHFFFAOYSA-N 1 2 266.308 1.815 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2cnccc2c1 ZINC001038890471 901422501 /nfs/dbraw/zinc/42/25/01/901422501.db2.gz HHLMGZJEPJKSAS-INIZCTEOSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2cnccc2c1 ZINC001038890471 901422503 /nfs/dbraw/zinc/42/25/03/901422503.db2.gz HHLMGZJEPJKSAS-INIZCTEOSA-N 1 2 279.343 1.672 20 30 CDEDLO Cc1nocc1C[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N ZINC001268234014 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C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCc1ccon1 ZINC001496745680 907118360 /nfs/dbraw/zinc/11/83/60/907118360.db2.gz SRBHIAQZGOCUOV-UHFFFAOYSA-N 1 2 285.775 1.750 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCc1ccon1 ZINC001496745680 907118371 /nfs/dbraw/zinc/11/83/71/907118371.db2.gz SRBHIAQZGOCUOV-UHFFFAOYSA-N 1 2 285.775 1.750 20 30 CDEDLO Cc1nc(N2C[C@@H](CNC(=O)[C@H](C)C#N)[C@H](C)C2)cc[nH+]1 ZINC001092337044 909377973 /nfs/dbraw/zinc/37/79/73/909377973.db2.gz XOJIGQKSCFNPMT-NQBHXWOUSA-N 1 2 287.367 1.133 20 30 CDEDLO Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)C#N)c(C)c(C)[nH+]1 ZINC001093235747 909711352 /nfs/dbraw/zinc/71/13/52/909711352.db2.gz SXJXHBCCZULCKN-VGSLSFOHSA-N 1 2 299.378 1.112 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CC3CC3)CC2)C1 ZINC001093498136 909835161 /nfs/dbraw/zinc/83/51/61/909835161.db2.gz UCLUIGVAXJSQCG-UHFFFAOYSA-N 1 2 278.396 1.664 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C3CC=CC3)CC2)C1 ZINC001093521411 909900639 /nfs/dbraw/zinc/90/06/39/909900639.db2.gz 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CDEDLO CC(C)C#CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C)n2)C1 ZINC001190046610 921809155 /nfs/dbraw/zinc/80/91/55/921809155.db2.gz KJVMJVOQYGVWAQ-OAHLLOKOSA-N 1 2 288.395 1.112 20 30 CDEDLO CC(C)C#CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC001190046610 921809164 /nfs/dbraw/zinc/80/91/64/921809164.db2.gz KJVMJVOQYGVWAQ-OAHLLOKOSA-N 1 2 288.395 1.112 20 30 CDEDLO C=C[C@H]1C[C@@]1([NH2+]C1CCN(C(C)=O)CC1)C(=O)OCC ZINC001254418883 936317800 /nfs/dbraw/zinc/31/78/00/936317800.db2.gz XTPBXRXTMRHDPX-WFASDCNBSA-N 1 2 280.368 1.095 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001179894920 916034113 /nfs/dbraw/zinc/03/41/13/916034113.db2.gz GFAGOVBTGXWLEF-WFASDCNBSA-N 1 2 269.348 1.588 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001179894920 916034133 /nfs/dbraw/zinc/03/41/33/916034133.db2.gz GFAGOVBTGXWLEF-WFASDCNBSA-N 1 2 269.348 1.588 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCc1ccnn1C ZINC001485311034 916790428 /nfs/dbraw/zinc/79/04/28/916790428.db2.gz YNTYVJRNOILARH-LBPRGKRZSA-N 1 2 298.818 1.542 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCc1ccnn1C ZINC001485311034 916790440 /nfs/dbraw/zinc/79/04/40/916790440.db2.gz YNTYVJRNOILARH-LBPRGKRZSA-N 1 2 298.818 1.542 20 30 CDEDLO N#Cc1ccc(NC(=O)Cc2cc[nH+]c(N)c2)c(C#N)c1 ZINC001181263717 916952228 /nfs/dbraw/zinc/95/22/28/916952228.db2.gz BOBLCQVQMRWDRO-UHFFFAOYSA-N 1 2 277.287 1.588 20 30 CDEDLO N#Cc1ccccc1CC(=O)NCCn1cc[nH+]c1 ZINC001181796825 917380230 /nfs/dbraw/zinc/38/02/30/917380230.db2.gz VXUOZEXZCVNRMX-UHFFFAOYSA-N 1 2 254.293 1.114 20 30 CDEDLO CC(C)c1nsc(C[NH2+]CCNC(=O)[C@@H](C)C#N)n1 ZINC001124902280 917741941 /nfs/dbraw/zinc/74/19/41/917741941.db2.gz IPHUVGYBCQOFMG-VIFPVBQESA-N 1 2 281.385 1.027 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H](O)CN(C)c1cc[nH+]c(C)n1 ZINC001125000988 917864572 /nfs/dbraw/zinc/86/45/72/917864572.db2.gz QFQSLIDWIHEEJD-ZDUSSCGKSA-N 1 2 292.383 1.007 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001032230882 918038574 /nfs/dbraw/zinc/03/85/74/918038574.db2.gz WAYKZYXEQVGMFU-ZDUSSCGKSA-N 1 2 298.814 1.604 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)COc2ccc(C#N)cc2)CC1 ZINC001182913321 918214409 /nfs/dbraw/zinc/21/44/09/918214409.db2.gz PQWQUEQBCUYGFR-UHFFFAOYSA-N 1 2 285.347 1.267 20 30 CDEDLO O=C(C#Cc1ccccc1)N1CCc2[nH+]ccn2CC1 ZINC001142859296 918473130 /nfs/dbraw/zinc/47/31/30/918473130.db2.gz VVBVBIPMBBPLSV-UHFFFAOYSA-N 1 2 265.316 1.320 20 30 CDEDLO CC[C@@H](CC#N)[NH2+][C@@H](CO)c1cccc(S(C)(=O)=O)c1 ZINC001255163710 936514391 /nfs/dbraw/zinc/51/43/91/936514391.db2.gz HOUZWBKAVGHXGA-JSGCOSHPSA-N 1 2 296.392 1.405 20 30 CDEDLO CC[C@H](CC#N)[NH2+][C@@H](CO)c1cccc(S(C)(=O)=O)c1 ZINC001255163712 936515517 /nfs/dbraw/zinc/51/55/17/936515517.db2.gz HOUZWBKAVGHXGA-OCCSQVGLSA-N 1 2 296.392 1.405 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@@]23CCCOC3)CC1 ZINC001183713768 918638097 /nfs/dbraw/zinc/63/80/97/918638097.db2.gz CQHHMVCMCJONBI-DZGCQCFKSA-N 1 2 264.369 1.133 20 30 CDEDLO 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C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142926632 937094590 /nfs/dbraw/zinc/09/45/90/937094590.db2.gz WODQXKVTHVMCRO-NSHDSACASA-N 1 2 282.347 1.702 20 30 CDEDLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142926632 937094592 /nfs/dbraw/zinc/09/45/92/937094592.db2.gz WODQXKVTHVMCRO-NSHDSACASA-N 1 2 282.347 1.702 20 30 CDEDLO Cc1cc(C#N)c(NC[C@@H]2C[N@H+](C)CCO2)nc1C ZINC001155197007 926640620 /nfs/dbraw/zinc/64/06/20/926640620.db2.gz RQJYATLJFCHLLM-CYBMUJFWSA-N 1 2 260.341 1.313 20 30 CDEDLO Cc1cc(C#N)c(NC[C@@H]2C[N@@H+](C)CCO2)nc1C ZINC001155197007 926640626 /nfs/dbraw/zinc/64/06/26/926640626.db2.gz RQJYATLJFCHLLM-CYBMUJFWSA-N 1 2 260.341 1.313 20 30 CDEDLO C=CCCC(=O)NCCC[NH2+]Cc1noc(CCC)n1 ZINC001155580220 926960003 /nfs/dbraw/zinc/96/00/03/926960003.db2.gz WMOZOJIFJYZJRM-UHFFFAOYSA-N 1 2 280.372 1.584 20 30 CDEDLO CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1ccc(C#N)cn1 ZINC001103161599 937125267 /nfs/dbraw/zinc/12/52/67/937125267.db2.gz GDLOPLYXMCKEOM-LBPRGKRZSA-N 1 2 298.350 1.226 20 30 CDEDLO C[N@@H+]1CCOC[C@H]1CNc1ccc(C2(C#N)CC2)cn1 ZINC001169650982 928281192 /nfs/dbraw/zinc/28/11/92/928281192.db2.gz JLSILMMZUVIZBH-CYBMUJFWSA-N 1 2 272.352 1.379 20 30 CDEDLO C[N@H+]1CCOC[C@H]1CNc1ccc(C2(C#N)CC2)cn1 ZINC001169650982 928281207 /nfs/dbraw/zinc/28/12/07/928281207.db2.gz JLSILMMZUVIZBH-CYBMUJFWSA-N 1 2 272.352 1.379 20 30 CDEDLO C=CC[C@@H]([NH2+][C@H]1CCCC2(C1)OCCO2)C(=O)OC ZINC001169912674 928515636 /nfs/dbraw/zinc/51/56/36/928515636.db2.gz FZYMAUMRIGBUIV-NWDGAFQWSA-N 1 2 269.341 1.379 20 30 CDEDLO C=C[C@@H]1C[C@@]1([NH2+][C@H]1CCCC2(C1)OCCO2)C(=O)OCC ZINC001169917873 928521289 /nfs/dbraw/zinc/52/12/89/928521289.db2.gz YAQAEUSGVPCCPP-WWGRRREGSA-N 1 2 295.379 1.770 20 30 CDEDLO COC(=O)n1ncc(C#N)c1Nc1ccc(N)[nH+]c1 ZINC001169968403 928540680 /nfs/dbraw/zinc/54/06/80/928540680.db2.gz SEGWTJMUAQNGAR-UHFFFAOYSA-N 1 2 258.241 1.090 20 30 CDEDLO C=CCOC[C@@H](O)C[NH2+]C1(c2ccccc2F)COC1 ZINC001252487775 928676372 /nfs/dbraw/zinc/67/63/72/928676372.db2.gz ZOPBJDSOPLAGOJ-LBPRGKRZSA-N 1 2 281.327 1.204 20 30 CDEDLO CN(CCCNc1ccc(C#N)cn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001109506814 928955402 /nfs/dbraw/zinc/95/54/02/928955402.db2.gz QVYQUENVBYUYTA-UHFFFAOYSA-N 1 2 298.350 1.179 20 30 CDEDLO CC[N@H+](Cc1ncc(C)cn1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152412510 937360488 /nfs/dbraw/zinc/36/04/88/937360488.db2.gz AOCUDMDDJGKWQR-QWHCGFSZSA-N 1 2 289.383 1.271 20 30 CDEDLO CC[N@@H+](Cc1ncc(C)cn1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152412510 937360490 /nfs/dbraw/zinc/36/04/90/937360490.db2.gz AOCUDMDDJGKWQR-QWHCGFSZSA-N 1 2 289.383 1.271 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001115674477 937411418 /nfs/dbraw/zinc/41/14/18/937411418.db2.gz IICUGZTVCQJUCX-GFCCVEGCSA-N 1 2 274.368 1.847 20 30 CDEDLO CC#CC[NH2+]C1(CNC(=O)c2[nH]ncc2F)CCCCC1 ZINC001115718432 937415771 /nfs/dbraw/zinc/41/57/71/937415771.db2.gz JWDOTMBPKRRFII-UHFFFAOYSA-N 1 2 292.358 1.594 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000884155357 930463117 /nfs/dbraw/zinc/46/31/17/930463117.db2.gz ZZUOJRLJYBSSAZ-RDBSUJKOSA-N 1 2 294.395 1.518 20 30 CDEDLO CC(=O)[C@H](C)N1CC2(CCC1=O)CC[NH+](CCC#N)CC2 ZINC001274031398 931129985 /nfs/dbraw/zinc/12/99/85/931129985.db2.gz PJTSBRQUJVKEJE-ZDUSSCGKSA-N 1 2 291.395 1.582 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@@H]1CCc2cccc(F)c2C1 ZINC001170986928 931160473 /nfs/dbraw/zinc/16/04/73/931160473.db2.gz XUVLCROLRPPELX-OLZOCXBDSA-N 1 2 259.328 1.480 20 30 CDEDLO CCOC(=O)c1c(C[N@@H+]2CCC[C@H](C#N)CC2)cnn1C ZINC001136908336 931475593 /nfs/dbraw/zinc/47/55/93/931475593.db2.gz DKPHYIXVMYOCRF-LBPRGKRZSA-N 1 2 290.367 1.722 20 30 CDEDLO CCOC(=O)c1c(C[N@H+]2CCC[C@H](C#N)CC2)cnn1C ZINC001136908336 931475597 /nfs/dbraw/zinc/47/55/97/931475597.db2.gz DKPHYIXVMYOCRF-LBPRGKRZSA-N 1 2 290.367 1.722 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc3c(c2)COC3)CC1 ZINC001137028279 931503132 /nfs/dbraw/zinc/50/31/32/931503132.db2.gz HHDDQRKVHONVIP-UHFFFAOYSA-N 1 2 256.349 1.468 20 30 CDEDLO C[C@]1(CO)CC[N@H+](Cc2c(Cl)cccc2C#N)C[C@@H]1O ZINC001143716639 931522418 /nfs/dbraw/zinc/52/24/18/931522418.db2.gz SUMCBTBGKIUIQQ-LSDHHAIUSA-N 1 2 294.782 1.777 20 30 CDEDLO C[C@]1(CO)CC[N@@H+](Cc2c(Cl)cccc2C#N)C[C@@H]1O ZINC001143716639 931522420 /nfs/dbraw/zinc/52/24/20/931522420.db2.gz SUMCBTBGKIUIQQ-LSDHHAIUSA-N 1 2 294.782 1.777 20 30 CDEDLO CNC(=O)[C@H]1CC12CC[NH+](Cc1cc(C#N)ccc1O)CC2 ZINC001274667558 931538682 /nfs/dbraw/zinc/53/86/82/931538682.db2.gz PFUQZZBIFYIVRS-CQSZACIVSA-N 1 2 299.374 1.612 20 30 CDEDLO Cn1nncc1N[NH+]=Cc1ccc(N2CCCC2)cc1 ZINC001117704696 937544154 /nfs/dbraw/zinc/54/41/54/937544154.db2.gz JNFPCPWNQXYECE-UHFFFAOYSA-N 1 2 270.340 1.861 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNc2nccc(Cl)c2C#N)C1 ZINC001155194504 937647608 /nfs/dbraw/zinc/64/76/08/937647608.db2.gz RBXKTEPWEXIAKZ-SECBINFHSA-N 1 2 266.732 1.349 20 30 CDEDLO C[N@H+]1CCO[C@H](CNc2nccc(Cl)c2C#N)C1 ZINC001155194504 937647611 /nfs/dbraw/zinc/64/76/11/937647611.db2.gz RBXKTEPWEXIAKZ-SECBINFHSA-N 1 2 266.732 1.349 20 30 CDEDLO C[C@@H]1NC(=O)[C@H](C)[N@H+](C[C@H](O)c2ccc(C#N)cc2)[C@H]1C ZINC000930833725 933458941 /nfs/dbraw/zinc/45/89/41/933458941.db2.gz IKSIHJRZQJIJPK-ASHKBJFXSA-N 1 2 287.363 1.189 20 30 CDEDLO C[C@@H]1NC(=O)[C@H](C)[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@H]1C ZINC000930833725 933458943 /nfs/dbraw/zinc/45/89/43/933458943.db2.gz IKSIHJRZQJIJPK-ASHKBJFXSA-N 1 2 287.363 1.189 20 30 CDEDLO C[C@@H](C(=O)NCCC#C[Si](C)(C)C)n1cc[nH+]c1 ZINC001119658536 937745169 /nfs/dbraw/zinc/74/51/69/937745169.db2.gz KFMBDBDDJBDHSS-LBPRGKRZSA-N 1 2 263.417 1.831 20 30 CDEDLO CCc1cc(NS(=O)(=O)c2ccc(C#N)cc2)cc[nH+]1 ZINC001258045417 934347562 /nfs/dbraw/zinc/34/75/62/934347562.db2.gz KNIQOCRNMQQONG-UHFFFAOYSA-N 1 2 287.344 1.738 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2cccnc21 ZINC001038625109 935477120 /nfs/dbraw/zinc/47/71/20/935477120.db2.gz RBVUIGRAGXOLMT-CABCVRRESA-N 1 2 283.375 1.325 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2cccnc21 ZINC001038625109 935477124 /nfs/dbraw/zinc/47/71/24/935477124.db2.gz RBVUIGRAGXOLMT-CABCVRRESA-N 1 2 283.375 1.325 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc(CCC)c1 ZINC001038374999 935742267 /nfs/dbraw/zinc/74/22/67/935742267.db2.gz XXVOKJYJEWVTPM-INIZCTEOSA-N 1 2 285.391 1.862 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc(CCC)c1 ZINC001038374999 935742268 /nfs/dbraw/zinc/74/22/68/935742268.db2.gz XXVOKJYJEWVTPM-INIZCTEOSA-N 1 2 285.391 1.862 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1csc(C)c1 ZINC001038819541 935758215 /nfs/dbraw/zinc/75/82/15/935758215.db2.gz XAXIXGPCQDOJHU-CYBMUJFWSA-N 1 2 262.378 1.884 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1csc(C)c1 ZINC001038819541 935758216 /nfs/dbraw/zinc/75/82/16/935758216.db2.gz XAXIXGPCQDOJHU-CYBMUJFWSA-N 1 2 262.378 1.884 20 30 CDEDLO C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001046388865 935945995 /nfs/dbraw/zinc/94/59/95/935945995.db2.gz XROFZJACAHAMKN-CQSZACIVSA-N 1 2 294.786 1.453 20 30 CDEDLO Cc1nc(N2CC[C@@H](NC(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001096368218 936053727 /nfs/dbraw/zinc/05/37/27/936053727.db2.gz BLCCKPYSPRCXSC-CYBMUJFWSA-N 1 2 272.352 1.139 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2nc(C)c(C#N)cc2Cl)C[NH2+]1 ZINC001156249373 938341491 /nfs/dbraw/zinc/34/14/91/938341491.db2.gz HNYKJSOVAAWZTE-ONGXEEELSA-N 1 2 294.742 1.231 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@H](F)c1ccnc(Cl)c1 ZINC001156320321 938350111 /nfs/dbraw/zinc/35/01/11/938350111.db2.gz XHCHRGATAUVNGL-ONGXEEELSA-N 1 2 254.696 1.500 20 30 CDEDLO N#Cc1ccccc1CNc1cc(N2CCOCC2)nc[nH+]1 ZINC001156784723 938417927 /nfs/dbraw/zinc/41/79/27/938417927.db2.gz XSLSAARPOXYRPE-UHFFFAOYSA-N 1 2 295.346 1.797 20 30 CDEDLO N#Cc1ccccc1CNc1cc(N2CCOCC2)[nH+]cn1 ZINC001156784723 938417929 /nfs/dbraw/zinc/41/79/29/938417929.db2.gz XSLSAARPOXYRPE-UHFFFAOYSA-N 1 2 295.346 1.797 20 30 CDEDLO CCN(C(=O)c1cccc2c(C#N)c[nH]c21)C1C[NH+](C)C1 ZINC001157167623 938461739 /nfs/dbraw/zinc/46/17/39/938461739.db2.gz DCKUWPGHDKOXHX-UHFFFAOYSA-N 1 2 282.347 1.816 20 30 CDEDLO CNC(=O)NC1CCN(c2cc(CC#N)cc[nH+]2)CC1 ZINC001157930253 938565334 /nfs/dbraw/zinc/56/53/34/938565334.db2.gz FHNLDZRVBHPJEB-UHFFFAOYSA-N 1 2 273.340 1.045 20 30 CDEDLO CC(C)(S)CNc1ccc(Cn2cncn2)c[nH+]1 ZINC001159268289 938716704 /nfs/dbraw/zinc/71/67/04/938716704.db2.gz QEDJJGLYOKIMLF-UHFFFAOYSA-N 1 2 263.370 1.842 20 30 CDEDLO CN(C)C(=O)N1CCC[C@H](Nc2cc(CC#N)cc[nH+]2)C1 ZINC001160331497 938780796 /nfs/dbraw/zinc/78/07/96/938780796.db2.gz USWWRRGOLAYMNY-ZDUSSCGKSA-N 1 2 287.367 1.706 20 30 CDEDLO C#CCCN1CCC[C@H](Nc2[nH+]cc(C)cc2OC)C1=O ZINC001160900017 938840847 /nfs/dbraw/zinc/84/08/47/938840847.db2.gz SIVVATWBBAPIMJ-ZDUSSCGKSA-N 1 2 287.363 1.825 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1ccc(Cl)c(C#N)n1 ZINC001162849384 939153198 /nfs/dbraw/zinc/15/31/98/939153198.db2.gz OBIYHCYKHDOEAC-VIFPVBQESA-N 1 2 296.758 1.688 20 30 CDEDLO COCc1cc[nH+]c(N[C@@H](CC(C)C)C(=O)NO)c1 ZINC001163418434 939266445 /nfs/dbraw/zinc/26/64/45/939266445.db2.gz XCVJJEBJCSBYAC-NSHDSACASA-N 1 2 267.329 1.560 20 30 CDEDLO Cc1ccc2nc(N3CC[NH2+]C[C@H]3C#N)ccc2c1 ZINC001164623953 939499870 /nfs/dbraw/zinc/49/98/70/939499870.db2.gz AYJPMWMRYYSOFC-CYBMUJFWSA-N 1 2 252.321 1.845 20 30 CDEDLO Cc1cc(CNC(=O)c2cnccc2C#N)cc(C)[nH+]1 ZINC001276418059 939702400 /nfs/dbraw/zinc/70/24/00/939702400.db2.gz IFWHELJTMBVWPM-UHFFFAOYSA-N 1 2 266.304 1.895 20 30 CDEDLO C=CCOc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3=O)cc1 ZINC001204302115 939754078 /nfs/dbraw/zinc/75/40/78/939754078.db2.gz CCFRPFSYUGUIMG-GASCZTMLSA-N 1 2 287.359 1.899 20 30 CDEDLO C=CCOc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)C3=O)cc1 ZINC001204302115 939754080 /nfs/dbraw/zinc/75/40/80/939754080.db2.gz CCFRPFSYUGUIMG-GASCZTMLSA-N 1 2 287.359 1.899 20 30 CDEDLO CC#CC[NH2+][C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001208084479 940287341 /nfs/dbraw/zinc/28/73/41/940287341.db2.gz PEZNBNMSAAXANT-UWVGGRQHSA-N 1 2 280.265 1.491 20 30 CDEDLO CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001208084479 940287343 /nfs/dbraw/zinc/28/73/43/940287343.db2.gz PEZNBNMSAAXANT-UWVGGRQHSA-N 1 2 280.265 1.491 20 30 CDEDLO C=CCCCC[NH+]1CC2(C1)[C@@H](CF)CCS2(=O)=O ZINC001209207333 940447307 /nfs/dbraw/zinc/44/73/07/940447307.db2.gz UBFVQCGMRSHUAN-GFCCVEGCSA-N 1 2 275.389 1.801 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(F)c(O)c(OC)c2)CC1 ZINC001209533170 940601510 /nfs/dbraw/zinc/60/15/10/940601510.db2.gz YJURQNCXFHDWLE-UHFFFAOYSA-N 1 2 278.327 1.291 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cnccn2)C1 ZINC001209787729 940642847 /nfs/dbraw/zinc/64/28/47/940642847.db2.gz UTOKFCOEWOPESK-GFCCVEGCSA-N 1 2 276.340 1.353 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cnccn2)C1 ZINC001209787729 940642848 /nfs/dbraw/zinc/64/28/48/940642848.db2.gz UTOKFCOEWOPESK-GFCCVEGCSA-N 1 2 276.340 1.353 20 30 CDEDLO CC1(C)COC2(CCC(N3CC[NH2+]C[C@H]3C#N)CC2)OC1 ZINC001258523494 945342169 /nfs/dbraw/zinc/34/21/69/945342169.db2.gz YHYDHODOQFMHLM-CQSZACIVSA-N 1 2 293.411 1.496 20 30 CDEDLO C#Cc1cc(Nc2cnn([C@H](C)C(=O)OCC)c2)cc[nH+]1 ZINC001216689617 940959363 /nfs/dbraw/zinc/95/93/63/940959363.db2.gz RHAWMQNQHFSXMT-LLVKDONJSA-N 1 2 284.319 1.549 20 30 CDEDLO CCOC(=O)[C@@H](C#C[Si](C)(C)C)Oc1cc(N)cc[nH+]1 ZINC001218357455 941209039 /nfs/dbraw/zinc/20/90/39/941209039.db2.gz YKPJEIVRMYNNIP-GFCCVEGCSA-N 1 2 292.411 1.855 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001220133473 941414891 /nfs/dbraw/zinc/41/48/91/941414891.db2.gz BDELWCPZLBDUPK-AIIUZBJTSA-N 1 2 286.803 1.503 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001220133473 941414892 /nfs/dbraw/zinc/41/48/92/941414892.db2.gz BDELWCPZLBDUPK-AIIUZBJTSA-N 1 2 286.803 1.503 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CCCC)C(C)C)[C@@H](O)C1 ZINC001221110776 941498408 /nfs/dbraw/zinc/49/84/08/941498408.db2.gz OYVDANKLBCWXMR-ZNMIVQPWSA-N 1 2 280.412 1.243 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CCCC)C(C)C)[C@@H](O)C1 ZINC001221110776 941498409 /nfs/dbraw/zinc/49/84/09/941498409.db2.gz OYVDANKLBCWXMR-ZNMIVQPWSA-N 1 2 280.412 1.243 20 30 CDEDLO C=C[C@@H]1O[C@H](OCCn2cc[nH+]c2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001222139118 941568597 /nfs/dbraw/zinc/56/85/97/941568597.db2.gz NXRDOBMDTSXQCE-CYDGBPFRSA-N 1 2 280.324 1.331 20 30 CDEDLO N#Cc1cccnc1N1CCC(OCCn2cc[nH+]c2)CC1 ZINC001222139062 941568909 /nfs/dbraw/zinc/56/89/09/941568909.db2.gz NAWQCTUDZYHLKJ-UHFFFAOYSA-N 1 2 297.362 1.835 20 30 CDEDLO Cc1cc(=O)[nH]c(O[C@@H]2CCC[N@@H+](C)CC2)c1C#N ZINC001226222222 941969659 /nfs/dbraw/zinc/96/96/59/941969659.db2.gz WKTTVDFHGSPYSY-LLVKDONJSA-N 1 2 261.325 1.830 20 30 CDEDLO Cc1cc(=O)[nH]c(O[C@@H]2CCC[N@H+](C)CC2)c1C#N ZINC001226222222 941969661 /nfs/dbraw/zinc/96/96/61/941969661.db2.gz WKTTVDFHGSPYSY-LLVKDONJSA-N 1 2 261.325 1.830 20 30 CDEDLO C=CCCC(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001226527217 942020117 /nfs/dbraw/zinc/02/01/17/942020117.db2.gz FDGGJHHEPVLAGB-UHFFFAOYSA-N 1 2 276.384 1.467 20 30 CDEDLO Cc1nc2ccccc2c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)n1 ZINC001226556839 942024921 /nfs/dbraw/zinc/02/49/21/942024921.db2.gz RFDVRKJEOCNGDI-BDOHNGBXSA-N 1 2 297.358 1.929 20 30 CDEDLO Cc1nc2ccccc2c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)n1 ZINC001226556839 942024924 /nfs/dbraw/zinc/02/49/24/942024924.db2.gz RFDVRKJEOCNGDI-BDOHNGBXSA-N 1 2 297.358 1.929 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(C#N)cc(C#N)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226900620 942091147 /nfs/dbraw/zinc/09/11/47/942091147.db2.gz ZWMCTKIDVSZAIV-JGPUMOJJSA-N 1 2 281.315 1.421 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(C#N)cc(C#N)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226900620 942091152 /nfs/dbraw/zinc/09/11/52/942091152.db2.gz ZWMCTKIDVSZAIV-JGPUMOJJSA-N 1 2 281.315 1.421 20 30 CDEDLO C=CCONC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001228428865 942315243 /nfs/dbraw/zinc/31/52/43/942315243.db2.gz JEFXUGWCIYDHBQ-UHFFFAOYSA-N 1 2 290.298 1.928 20 30 CDEDLO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cc([N+](=O)[O-])c1 ZINC001228839782 942383324 /nfs/dbraw/zinc/38/33/24/942383324.db2.gz YPXCMOONSVQWQK-ABWMFPBJSA-N 1 2 290.319 1.894 20 30 CDEDLO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cc([N+](=O)[O-])c1 ZINC001228839782 942383327 /nfs/dbraw/zinc/38/33/27/942383327.db2.gz YPXCMOONSVQWQK-ABWMFPBJSA-N 1 2 290.319 1.894 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC(C)C ZINC001230646330 942664695 /nfs/dbraw/zinc/66/46/95/942664695.db2.gz LNUTXMJBBGDZGW-KGLIPLIRSA-N 1 2 295.427 1.256 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CC(C)C ZINC001230646330 942664701 /nfs/dbraw/zinc/66/47/01/942664701.db2.gz LNUTXMJBBGDZGW-KGLIPLIRSA-N 1 2 295.427 1.256 20 30 CDEDLO C[N@H+](C1COC1)C1CN(Cc2ccc(Cl)cc2C#N)C1 ZINC001232609361 943338123 /nfs/dbraw/zinc/33/81/23/943338123.db2.gz ZFXXFBYAIXHEAF-UHFFFAOYSA-N 1 2 291.782 1.726 20 30 CDEDLO C[N@@H+](C1COC1)C1CN(Cc2ccc(Cl)cc2C#N)C1 ZINC001232609361 943338127 /nfs/dbraw/zinc/33/81/27/943338127.db2.gz ZFXXFBYAIXHEAF-UHFFFAOYSA-N 1 2 291.782 1.726 20 30 CDEDLO C=CCN1CC[NH+](Cc2cncc3cnccc32)CC1 ZINC001232651784 943346267 /nfs/dbraw/zinc/34/62/67/943346267.db2.gz VGJWYTNQNOFRPY-UHFFFAOYSA-N 1 2 268.364 1.933 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H](F)[C@@H](O)CC2)c1 ZINC001232674033 943356197 /nfs/dbraw/zinc/35/61/97/943356197.db2.gz QBTMUSJMLHNPOH-OCCSQVGLSA-N 1 2 264.300 1.559 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)c1 ZINC001232674033 943356199 /nfs/dbraw/zinc/35/61/99/943356199.db2.gz QBTMUSJMLHNPOH-OCCSQVGLSA-N 1 2 264.300 1.559 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)c1 ZINC001232677853 943359869 /nfs/dbraw/zinc/35/98/69/943359869.db2.gz LHGRGIYGJOGGQA-MRXNPFEDSA-N 1 2 286.331 1.935 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@]3(CCC(=O)O3)C2)c1 ZINC001232677853 943359874 /nfs/dbraw/zinc/35/98/74/943359874.db2.gz LHGRGIYGJOGGQA-MRXNPFEDSA-N 1 2 286.331 1.935 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)c1 ZINC001232678803 943360509 /nfs/dbraw/zinc/36/05/09/943360509.db2.gz QTLKCRUQJPZYGN-BETUJISGSA-N 1 2 294.301 1.977 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)c1 ZINC001232678803 943360516 /nfs/dbraw/zinc/36/05/16/943360516.db2.gz QTLKCRUQJPZYGN-BETUJISGSA-N 1 2 294.301 1.977 20 30 CDEDLO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232680030 943362852 /nfs/dbraw/zinc/36/28/52/943362852.db2.gz AEDOSYTWJDZZTK-HNNXBMFYSA-N 1 2 274.320 1.649 20 30 CDEDLO COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232680030 943362856 /nfs/dbraw/zinc/36/28/56/943362856.db2.gz AEDOSYTWJDZZTK-HNNXBMFYSA-N 1 2 274.320 1.649 20 30 CDEDLO C[C@@]1(CO)C[N@H+](Cc2cc(F)ccc2C#N)CC[C@H]1O ZINC001232888985 943426286 /nfs/dbraw/zinc/42/62/86/943426286.db2.gz XHWFZCHVOVQCAS-CABCVRRESA-N 1 2 278.327 1.263 20 30 CDEDLO C[C@@]1(CO)C[N@@H+](Cc2cc(F)ccc2C#N)CC[C@H]1O ZINC001232888985 943426289 /nfs/dbraw/zinc/42/62/89/943426289.db2.gz XHWFZCHVOVQCAS-CABCVRRESA-N 1 2 278.327 1.263 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+](Cc2[nH]ccc2C#N)CC12CC2 ZINC001233048382 943476127 /nfs/dbraw/zinc/47/61/27/943476127.db2.gz DMCSASUJVOGEHA-NSHDSACASA-N 1 2 259.309 1.271 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+](Cc2[nH]ccc2C#N)CC12CC2 ZINC001233048382 943476129 /nfs/dbraw/zinc/47/61/29/943476129.db2.gz DMCSASUJVOGEHA-NSHDSACASA-N 1 2 259.309 1.271 20 30 CDEDLO CC1=NC2(CC[NH+](Cc3[nH]ccc3C#N)CC2)C(=O)N1C ZINC001233049361 943476274 /nfs/dbraw/zinc/47/62/74/943476274.db2.gz MKNLZNNCHZIUIY-UHFFFAOYSA-N 1 2 285.351 1.111 20 30 CDEDLO C[N@H+](CCC#N)Cc1ccc(O)c2[nH]c(=O)ccc12 ZINC001233291136 943531248 /nfs/dbraw/zinc/53/12/48/943531248.db2.gz NMHZRCDLNMOZMC-UHFFFAOYSA-N 1 2 257.293 1.991 20 30 CDEDLO C[N@@H+](CCC#N)Cc1ccc(O)c2[nH]c(=O)ccc12 ZINC001233291136 943531253 /nfs/dbraw/zinc/53/12/53/943531253.db2.gz NMHZRCDLNMOZMC-UHFFFAOYSA-N 1 2 257.293 1.991 20 30 CDEDLO COCC[NH+]1CCN(Cc2ccc(C#N)cc2O)CC1 ZINC001233384125 943572057 /nfs/dbraw/zinc/57/20/57/943572057.db2.gz HUBDHVRCLLOKRA-UHFFFAOYSA-N 1 2 275.352 1.028 20 30 CDEDLO COCCN1CC[NH+](Cc2ccc(C#N)cc2O)CC1 ZINC001233384125 943572059 /nfs/dbraw/zinc/57/20/59/943572059.db2.gz HUBDHVRCLLOKRA-UHFFFAOYSA-N 1 2 275.352 1.028 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)/C=C(/C)CC ZINC001234128158 943750490 /nfs/dbraw/zinc/75/04/90/943750490.db2.gz AVXWKQONUTZYNF-QLKUMGTLSA-N 1 2 293.411 1.178 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)/C=C(/C)CC ZINC001234128158 943750494 /nfs/dbraw/zinc/75/04/94/943750494.db2.gz AVXWKQONUTZYNF-QLKUMGTLSA-N 1 2 293.411 1.178 20 30 CDEDLO C[N@H+](CCCNC(=O)CSCC#N)Cc1cscn1 ZINC001234163157 943760465 /nfs/dbraw/zinc/76/04/65/943760465.db2.gz UNUCSPIRBHILHP-UHFFFAOYSA-N 1 2 298.437 1.338 20 30 CDEDLO C[N@@H+](CCCNC(=O)CSCC#N)Cc1cscn1 ZINC001234163157 943760469 /nfs/dbraw/zinc/76/04/69/943760469.db2.gz UNUCSPIRBHILHP-UHFFFAOYSA-N 1 2 298.437 1.338 20 30 CDEDLO Cn1cc(CN2CC3(C2)CCC[N@H+](CCC#N)C3)cc1C#N ZINC001277938875 944131480 /nfs/dbraw/zinc/13/14/80/944131480.db2.gz HDTDCSJVAICBID-UHFFFAOYSA-N 1 2 297.406 1.708 20 30 CDEDLO Cn1cc(CN2CC3(C2)CCC[N@@H+](CCC#N)C3)cc1C#N ZINC001277938875 944131482 /nfs/dbraw/zinc/13/14/82/944131482.db2.gz HDTDCSJVAICBID-UHFFFAOYSA-N 1 2 297.406 1.708 20 30 CDEDLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccccc1CC#N ZINC001235528726 944189690 /nfs/dbraw/zinc/18/96/90/944189690.db2.gz STSMCBNZMFLVFI-GFCCVEGCSA-N 1 2 257.337 1.415 20 30 CDEDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccccc1CC#N ZINC001235528726 944189693 /nfs/dbraw/zinc/18/96/93/944189693.db2.gz STSMCBNZMFLVFI-GFCCVEGCSA-N 1 2 257.337 1.415 20 30 CDEDLO C[C@H]1C[NH+](C2CN(Cc3ccnc(C#N)c3)C2)C[C@H](C)O1 ZINC001237461785 944794768 /nfs/dbraw/zinc/79/47/68/944794768.db2.gz FCLDVUIXTRCITO-STQMWFEESA-N 1 2 286.379 1.247 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCC[C@H](O)C2)c(F)cc1F ZINC001237523568 944821869 /nfs/dbraw/zinc/82/18/69/944821869.db2.gz BBLUGMDSAUTIFZ-NSHDSACASA-N 1 2 252.264 1.793 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](O)C2)c(F)cc1F ZINC001237523568 944821872 /nfs/dbraw/zinc/82/18/72/944821872.db2.gz BBLUGMDSAUTIFZ-NSHDSACASA-N 1 2 252.264 1.793 20 30 CDEDLO C=CCC[C@H](C)[NH2+][C@@H](CCc1cn(C)cn1)C(=O)OC ZINC001258723931 945394293 /nfs/dbraw/zinc/39/42/93/945394293.db2.gz JDHAHOPOALSUCX-JSGCOSHPSA-N 1 2 279.384 1.839 20 30 CDEDLO C=CCS(=O)(=O)NCc1c[nH+]c2c(C)cccn12 ZINC001259932614 945718891 /nfs/dbraw/zinc/71/88/91/945718891.db2.gz QLKSJLAVNHBXCW-UHFFFAOYSA-N 1 2 265.338 1.248 20 30 CDEDLO CCOC(=O)C[NH+]1CCC(N[C@@H](C#N)CC(C)C)CC1 ZINC001254399348 947422087 /nfs/dbraw/zinc/42/20/87/947422087.db2.gz IRAYKMQNSQCSGA-CQSZACIVSA-N 1 2 281.400 1.542 20 30 CDEDLO CCOC(=O)c1nnc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)o1 ZINC001254636902 947563470 /nfs/dbraw/zinc/56/34/70/947563470.db2.gz MIWCGPRZQQLIRK-RKDXNWHRSA-N 1 2 264.285 1.028 20 30 CDEDLO CCOC(=O)c1nnc(C[NH2+][C@H]2CC[C@@H](C#N)C2)o1 ZINC001254636896 947563680 /nfs/dbraw/zinc/56/36/80/947563680.db2.gz MIWCGPRZQQLIRK-BDAKNGLRSA-N 1 2 264.285 1.028 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CC[C@@H](Oc2ncncc2C)C1 ZINC001255177160 947766721 /nfs/dbraw/zinc/76/67/21/947766721.db2.gz NXGXNEABCWUOSM-CHWSQXEVSA-N 1 2 260.341 1.930 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CC[C@@H](Oc2ncncc2C)C1 ZINC001255177160 947766725 /nfs/dbraw/zinc/76/67/25/947766725.db2.gz NXGXNEABCWUOSM-CHWSQXEVSA-N 1 2 260.341 1.930 20 30 CDEDLO CCOC(=O)CCC[C@@H](C)[NH2+][C@@H](CS)C(=O)OCC ZINC001258101549 948701000 /nfs/dbraw/zinc/70/10/00/948701000.db2.gz RJJMVIIHDSJKMO-MNOVXSKESA-N 1 2 291.413 1.559 20 30 CDEDLO CO[C@H](C)[C@H]([NH3+])c1nc(-c2cc(F)cc(C#N)c2)no1 ZINC001247963391 948898920 /nfs/dbraw/zinc/89/89/20/948898920.db2.gz PKPDFGIQXWRTAV-HQJQHLMTSA-N 1 2 276.271 1.782 20 30 CDEDLO C[N@@H+]1CCO[C@H](c2nc(-c3cccc(C#N)c3)no2)C1 ZINC001248230772 948982356 /nfs/dbraw/zinc/98/23/56/948982356.db2.gz ZMYBSEBHXNEFKG-LBPRGKRZSA-N 1 2 270.292 1.611 20 30 CDEDLO C[N@H+]1CCO[C@H](c2nc(-c3cccc(C#N)c3)no2)C1 ZINC001248230772 948982367 /nfs/dbraw/zinc/98/23/67/948982367.db2.gz ZMYBSEBHXNEFKG-LBPRGKRZSA-N 1 2 270.292 1.611 20 30 CDEDLO C[C@]1(C#N)CC[N@H+](C[C@@H](O)COc2cccc(F)c2)C1 ZINC001250809096 950392952 /nfs/dbraw/zinc/39/29/52/950392952.db2.gz DUCXKLCIKHGDHL-UKRRQHHQSA-N 1 2 278.327 1.801 20 30 CDEDLO C[C@]1(C#N)CC[N@@H+](C[C@@H](O)COc2cccc(F)c2)C1 ZINC001250809096 950392976 /nfs/dbraw/zinc/39/29/76/950392976.db2.gz DUCXKLCIKHGDHL-UKRRQHHQSA-N 1 2 278.327 1.801 20 30 CDEDLO C=C[C@](C)(O)C[NH2+]C1(c2ccccc2F)COC1 ZINC001252577213 951468873 /nfs/dbraw/zinc/46/88/73/951468873.db2.gz WLEOGUSEGYZHRX-ZDUSSCGKSA-N 1 2 251.301 1.578 20 30 CDEDLO COc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC001252716453 951609405 /nfs/dbraw/zinc/60/94/05/951609405.db2.gz MJZFLZDZIRROBG-ZIAGYGMSSA-N 1 2 290.363 1.670 20 30 CDEDLO COc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC001252716453 951609409 /nfs/dbraw/zinc/60/94/09/951609409.db2.gz MJZFLZDZIRROBG-ZIAGYGMSSA-N 1 2 290.363 1.670 20 30 CDEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1C[C@@H](O)CCC ZINC001252781926 951632157 /nfs/dbraw/zinc/63/21/57/951632157.db2.gz YKOJLHRKQITGST-GXTWGEPZSA-N 1 2 294.399 1.078 20 30 CDEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1C[C@@H](O)CCC ZINC001252781926 951632166 /nfs/dbraw/zinc/63/21/66/951632166.db2.gz YKOJLHRKQITGST-GXTWGEPZSA-N 1 2 294.399 1.078 20 30 CDEDLO C#Cc1cnc(N2CCC[N@@H+](Cc3cc(C)on3)CC2)nc1 ZINC001324487538 953412086 /nfs/dbraw/zinc/41/20/86/953412086.db2.gz XLAULOWXCGAYCF-UHFFFAOYSA-N 1 2 297.362 1.467 20 30 CDEDLO C#Cc1cnc(N2CCC[N@H+](Cc3cc(C)on3)CC2)nc1 ZINC001324487538 953412089 /nfs/dbraw/zinc/41/20/89/953412089.db2.gz XLAULOWXCGAYCF-UHFFFAOYSA-N 1 2 297.362 1.467 20 30 CDEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CCOC)CC2 ZINC001421852778 955597404 /nfs/dbraw/zinc/59/74/04/955597404.db2.gz JEQANEGHXCDJFE-UHFFFAOYSA-N 1 2 286.803 1.700 20 30 CDEDLO C[C@H](C#N)C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001366959538 957302280 /nfs/dbraw/zinc/30/22/80/957302280.db2.gz AFAPWDLFIFPKAO-GFCCVEGCSA-N 1 2 282.347 1.266 20 30 CDEDLO C#CCOc1ccccc1C[NH2+][C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001334087627 958820422 /nfs/dbraw/zinc/82/04/22/958820422.db2.gz JJUWJPHVPYEDEI-AWEZNQCLSA-N 1 2 299.330 1.207 20 30 CDEDLO C#CCNC(=O)[C@H](C)SCc1cc[nH+]c(N(C)C)c1 ZINC001320279833 959046430 /nfs/dbraw/zinc/04/64/30/959046430.db2.gz LHRRVCOTAOIRQU-NSHDSACASA-N 1 2 277.393 1.519 20 30 CDEDLO C[C@@H]1C[N@H+](CCOC(=O)CC#Cc2ccccc2)CCO1 ZINC001321370942 959751338 /nfs/dbraw/zinc/75/13/38/959751338.db2.gz ONKZKCWCXCFYMT-OAHLLOKOSA-N 1 2 287.359 1.692 20 30 CDEDLO C[C@@H]1C[N@@H+](CCOC(=O)CC#Cc2ccccc2)CCO1 ZINC001321370942 959751348 /nfs/dbraw/zinc/75/13/48/959751348.db2.gz ONKZKCWCXCFYMT-OAHLLOKOSA-N 1 2 287.359 1.692 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1ncc(C#N)cc1Cl ZINC001433750660 960581048 /nfs/dbraw/zinc/58/10/48/960581048.db2.gz FRIIUADTMDZGOH-UHFFFAOYSA-N 1 2 275.699 1.568 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1cc(C)on1 ZINC001437745490 963158371 /nfs/dbraw/zinc/15/83/71/963158371.db2.gz MNSWNEXAIGPSHH-LLVKDONJSA-N 1 2 278.356 1.471 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1cc(C)on1 ZINC001437745490 963158378 /nfs/dbraw/zinc/15/83/78/963158378.db2.gz MNSWNEXAIGPSHH-LLVKDONJSA-N 1 2 278.356 1.471 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(-c3coc(C)c3)n2CC)CC1 ZINC001341006113 963232094 /nfs/dbraw/zinc/23/20/94/963232094.db2.gz WAWNCPZQTSHWJQ-UHFFFAOYSA-N 1 2 299.378 1.622 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CCC)n2CC(C)C)CC1 ZINC001344088350 964228027 /nfs/dbraw/zinc/22/80/27/964228027.db2.gz QXCMKLXQVHQOQX-UHFFFAOYSA-N 1 2 289.427 1.642 20 30 CDEDLO C=CCN(C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)C(C)C ZINC001346170424 964967534 /nfs/dbraw/zinc/96/75/34/964967534.db2.gz XAUMKMJTGJCSEF-UHFFFAOYSA-N 1 2 297.399 1.041 20 30 CDEDLO C=CCN(C(=O)NCC[N@H+]1CCC2(C1)OCCO2)C(C)C ZINC001346170424 964967539 /nfs/dbraw/zinc/96/75/39/964967539.db2.gz XAUMKMJTGJCSEF-UHFFFAOYSA-N 1 2 297.399 1.041 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCc1nccn1C ZINC001448069385 966984851 /nfs/dbraw/zinc/98/48/51/966984851.db2.gz NRJAEHGIDWXDNJ-LBPRGKRZSA-N 1 2 298.818 1.542 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCc1nccn1C ZINC001448069385 966984854 /nfs/dbraw/zinc/98/48/54/966984854.db2.gz NRJAEHGIDWXDNJ-LBPRGKRZSA-N 1 2 298.818 1.542 20 30 CDEDLO C=CC[NH2+]C1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001100348915 968084314 /nfs/dbraw/zinc/08/43/14/968084314.db2.gz KOQLAVMROKIXSG-AMDVSUOASA-N 1 2 268.254 1.557 20 30 CDEDLO C=CC[NH2+]C1CC(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001100348915 968084322 /nfs/dbraw/zinc/08/43/22/968084322.db2.gz KOQLAVMROKIXSG-AMDVSUOASA-N 1 2 268.254 1.557 20 30 CDEDLO CC[C@@H](C)[N@@H+](CC(=O)OC)C[C@@H](O)c1cccc(C#N)c1 ZINC001460031643 969469478 /nfs/dbraw/zinc/46/94/78/969469478.db2.gz QAKRCXJVJFVDRB-IUODEOHRSA-N 1 2 290.363 1.865 20 30 CDEDLO CC[C@@H](C)[N@H+](CC(=O)OC)C[C@@H](O)c1cccc(C#N)c1 ZINC001460031643 969469481 /nfs/dbraw/zinc/46/94/81/969469481.db2.gz QAKRCXJVJFVDRB-IUODEOHRSA-N 1 2 290.363 1.865 20 30 CDEDLO C=CCCCCNC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001519288599 970071896 /nfs/dbraw/zinc/07/18/96/970071896.db2.gz AELMPESZSDCSDH-CQSZACIVSA-N 1 2 282.432 1.278 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C(CC)CC)n2C)CC1 ZINC001519581906 970094421 /nfs/dbraw/zinc/09/44/21/970094421.db2.gz GOHYMXMEVRDRLM-UHFFFAOYSA-N 1 2 275.400 1.474 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnc2ccccn21 ZINC001372025431 972753621 /nfs/dbraw/zinc/75/36/21/972753621.db2.gz OOHOBTUBQGSBFF-UHFFFAOYSA-N 1 2 292.770 1.748 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnc2ccccn21 ZINC001372025431 972753635 /nfs/dbraw/zinc/75/36/35/972753635.db2.gz OOHOBTUBQGSBFF-UHFFFAOYSA-N 1 2 292.770 1.748 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cocn1 ZINC001498241013 973771952 /nfs/dbraw/zinc/77/19/52/973771952.db2.gz TWFKXHSXMGDWGG-VIFPVBQESA-N 1 2 257.721 1.477 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cocn1 ZINC001498241013 973771955 /nfs/dbraw/zinc/77/19/55/973771955.db2.gz TWFKXHSXMGDWGG-VIFPVBQESA-N 1 2 257.721 1.477 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnc2cc[nH]c2c1 ZINC001418476430 973882086 /nfs/dbraw/zinc/88/20/86/973882086.db2.gz OMLLGGICZNSIJT-UHFFFAOYSA-N 1 2 292.770 1.977 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnc2cc[nH]c2c1 ZINC001418476430 973882092 /nfs/dbraw/zinc/88/20/92/973882092.db2.gz OMLLGGICZNSIJT-UHFFFAOYSA-N 1 2 292.770 1.977 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1ccc(F)cn1 ZINC001374503631 973984525 /nfs/dbraw/zinc/98/45/25/973984525.db2.gz DGTSXNLTEZPXKK-UHFFFAOYSA-N 1 2 299.777 1.906 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1ccc(F)cn1 ZINC001374503631 973984532 /nfs/dbraw/zinc/98/45/32/973984532.db2.gz DGTSXNLTEZPXKK-UHFFFAOYSA-N 1 2 299.777 1.906 20 30 CDEDLO N#Cc1cccc([C@H]2CN(c3cc(N)nc[nH+]3)CCO2)c1 ZINC001548514211 974851911 /nfs/dbraw/zinc/85/19/11/974851911.db2.gz VKEATAMWDIRSSB-CYBMUJFWSA-N 1 2 281.319 1.508 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)C1(COC)CC1)C1CC1 ZINC001377538428 975069187 /nfs/dbraw/zinc/06/91/87/975069187.db2.gz DOIWNNACJMRQDL-UHFFFAOYSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)C1(COC)CC1)C1CC1 ZINC001377538428 975069188 /nfs/dbraw/zinc/06/91/88/975069188.db2.gz DOIWNNACJMRQDL-UHFFFAOYSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCc2ccon2)C1 ZINC001377845514 975154589 /nfs/dbraw/zinc/15/45/89/975154589.db2.gz ODASYDXFNNCZHS-ZDUSSCGKSA-N 1 2 297.786 1.940 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCc2ccon2)C1 ZINC001377845514 975154592 /nfs/dbraw/zinc/15/45/92/975154592.db2.gz ODASYDXFNNCZHS-ZDUSSCGKSA-N 1 2 297.786 1.940 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCn2cc(C)cn2)C1 ZINC001405033161 975602763 /nfs/dbraw/zinc/60/27/63/975602763.db2.gz MLHJKCAOLXNMPY-ZDUSSCGKSA-N 1 2 296.802 1.525 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCn2cc(C)cn2)C1 ZINC001405033161 975602772 /nfs/dbraw/zinc/60/27/72/975602772.db2.gz MLHJKCAOLXNMPY-ZDUSSCGKSA-N 1 2 296.802 1.525 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1cc(C)on1 ZINC001406083663 976015005 /nfs/dbraw/zinc/01/50/05/976015005.db2.gz ZFTUQBNAWVDPFO-UHFFFAOYSA-N 1 2 285.775 1.668 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1cc(C)on1 ZINC001406083663 976015018 /nfs/dbraw/zinc/01/50/18/976015018.db2.gz ZFTUQBNAWVDPFO-UHFFFAOYSA-N 1 2 285.775 1.668 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1nnc(C)o1 ZINC001391042263 976660467 /nfs/dbraw/zinc/66/04/67/976660467.db2.gz MMTBGDNJFRJKOJ-LLVKDONJSA-N 1 2 298.774 1.254 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1nnc(C)o1 ZINC001391042263 976660472 /nfs/dbraw/zinc/66/04/72/976660472.db2.gz MMTBGDNJFRJKOJ-LLVKDONJSA-N 1 2 298.774 1.254 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cc1cnn(C)c1C ZINC001403593544 977088233 /nfs/dbraw/zinc/08/82/33/977088233.db2.gz FLGYSEIQFKHMDY-UHFFFAOYSA-N 1 2 284.791 1.072 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cc1cnn(C)c1C ZINC001403593544 977088243 /nfs/dbraw/zinc/08/82/43/977088243.db2.gz FLGYSEIQFKHMDY-UHFFFAOYSA-N 1 2 284.791 1.072 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1cc[nH]n1 ZINC001403830645 977220547 /nfs/dbraw/zinc/22/05/47/977220547.db2.gz XNHFFLHCMMWBON-UHFFFAOYSA-N 1 2 270.764 1.143 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1cc[nH]n1 ZINC001403830645 977220557 /nfs/dbraw/zinc/22/05/57/977220557.db2.gz XNHFFLHCMMWBON-UHFFFAOYSA-N 1 2 270.764 1.143 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1ncc(CC)o1 ZINC001132568770 1163377032 /nfs/dbraw/zinc/37/70/32/1163377032.db2.gz DHUKFIQXLGFWSS-RYUDHWBXSA-N 1 2 279.384 1.901 20 30 CDEDLO C=CCCC(=O)NCC[C@@H]1CC[N@H+](Cc2cnn[nH]2)C1 ZINC001575087722 1171110668 /nfs/dbraw/zinc/11/06/68/1171110668.db2.gz LEAAFYDIRDJAEZ-GFCCVEGCSA-N 1 2 277.372 1.099 20 30 CDEDLO C=CCCC(=O)NCC[C@@H]1CC[N@@H+](Cc2cnn[nH]2)C1 ZINC001575087722 1171110675 /nfs/dbraw/zinc/11/06/75/1171110675.db2.gz LEAAFYDIRDJAEZ-GFCCVEGCSA-N 1 2 277.372 1.099 20 30 CDEDLO C=CCCC(=O)NCC[C@@H]1CC[N@H+](Cc2c[nH]nn2)C1 ZINC001575087722 1171110678 /nfs/dbraw/zinc/11/06/78/1171110678.db2.gz LEAAFYDIRDJAEZ-GFCCVEGCSA-N 1 2 277.372 1.099 20 30 CDEDLO C=CCCC(=O)NCC[C@@H]1CC[N@@H+](Cc2c[nH]nn2)C1 ZINC001575087722 1171110682 /nfs/dbraw/zinc/11/06/82/1171110682.db2.gz LEAAFYDIRDJAEZ-GFCCVEGCSA-N 1 2 277.372 1.099 20 30 CDEDLO C=CCCC(=O)NCC[C@@H]1CC[N@H+](Cc2cn[nH]n2)C1 ZINC001575087722 1171110688 /nfs/dbraw/zinc/11/06/88/1171110688.db2.gz LEAAFYDIRDJAEZ-GFCCVEGCSA-N 1 2 277.372 1.099 20 30 CDEDLO C=CCCC(=O)NCC[C@@H]1CC[N@@H+](Cc2cn[nH]n2)C1 ZINC001575087722 1171110694 /nfs/dbraw/zinc/11/06/94/1171110694.db2.gz LEAAFYDIRDJAEZ-GFCCVEGCSA-N 1 2 277.372 1.099 20 30 CDEDLO C=CCC[C@@H](NCc1[nH]cc(C)[nH+]1)C(=O)OCC ZINC000600168368 341982371 /nfs/dbraw/zinc/98/23/71/341982371.db2.gz IDDLZSMAKRFYDA-LLVKDONJSA-N 1 2 251.330 1.706 20 30 CDEDLO N#C[C@@H]1CN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CCO1 ZINC000601041222 342460843 /nfs/dbraw/zinc/46/08/43/342460843.db2.gz VYPNASCVYFDNCV-CYBMUJFWSA-N 1 2 282.303 1.441 20 30 CDEDLO C[C@@H](CNC(=O)Nc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000027349024 342481561 /nfs/dbraw/zinc/48/15/61/342481561.db2.gz GGJVRDFUNLYWHL-LBPRGKRZSA-N 1 2 288.351 1.400 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(O)cc(C#N)c1 ZINC000589168122 342498903 /nfs/dbraw/zinc/49/89/03/342498903.db2.gz NSICCOLSRPLGDA-SNVBAGLBSA-N 1 2 270.292 1.279 20 30 CDEDLO N#Cc1cc(O)cc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000589177719 342499708 /nfs/dbraw/zinc/49/97/08/342499708.db2.gz MSVNIUKXQUCBRK-AWEZNQCLSA-N 1 2 296.330 1.938 20 30 CDEDLO C=CCCOCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000589954712 342517450 /nfs/dbraw/zinc/51/74/50/342517450.db2.gz FCEGXHCRIADSJZ-GFCCVEGCSA-N 1 2 263.341 1.708 20 30 CDEDLO N#CCCN1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000601262407 342539939 /nfs/dbraw/zinc/53/99/39/342539939.db2.gz BORGHULCCHWYAQ-UHFFFAOYSA-N 1 2 286.383 1.334 20 30 CDEDLO C=CCCC(=O)NC[C@H]1C[C@@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000351544162 361748347 /nfs/dbraw/zinc/74/83/47/361748347.db2.gz JWDLHAORFWULPA-ZIAGYGMSSA-N 1 2 294.374 1.415 20 30 CDEDLO C=CCCC(=O)NC[C@H]1C[C@@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000351544162 361748356 /nfs/dbraw/zinc/74/83/56/361748356.db2.gz JWDLHAORFWULPA-ZIAGYGMSSA-N 1 2 294.374 1.415 20 30 CDEDLO CCN(CC)C(=O)C[NH+]1CCN([C@@H](C)CCC#N)CC1 ZINC000351631572 361823033 /nfs/dbraw/zinc/82/30/33/361823033.db2.gz GJPMTAUTOFZLPF-AWEZNQCLSA-N 1 2 280.416 1.165 20 30 CDEDLO N#Cc1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)nc1 ZINC000609132887 342091741 /nfs/dbraw/zinc/09/17/41/342091741.db2.gz PPGDCKYFANERCH-ZDUSSCGKSA-N 1 2 253.309 1.991 20 30 CDEDLO COCC#CC[N@@H+]1CCc2c(cccc2C(=O)OC)C1 ZINC000590965703 342611878 /nfs/dbraw/zinc/61/18/78/342611878.db2.gz MEXBWEAYHDCBKA-UHFFFAOYSA-N 1 2 273.332 1.481 20 30 CDEDLO COCC#CC[N@H+]1CCc2c(cccc2C(=O)OC)C1 ZINC000590965703 342611879 /nfs/dbraw/zinc/61/18/79/342611879.db2.gz MEXBWEAYHDCBKA-UHFFFAOYSA-N 1 2 273.332 1.481 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc2ncccc2c1 ZINC000591241308 342622445 /nfs/dbraw/zinc/62/24/45/342622445.db2.gz DJMSJUROGRSFEY-AWEZNQCLSA-N 1 2 285.347 1.820 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc2ncccc2c1 ZINC000591241308 342622446 /nfs/dbraw/zinc/62/24/46/342622446.db2.gz DJMSJUROGRSFEY-AWEZNQCLSA-N 1 2 285.347 1.820 20 30 CDEDLO Cc1cc(N2CC[C@H](C)S(=O)(=O)CC2)c(C#N)c[nH+]1 ZINC000591824447 342647790 /nfs/dbraw/zinc/64/77/90/342647790.db2.gz UXIITUPDCICXIU-NSHDSACASA-N 1 2 279.365 1.275 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)CC2(CCCC2)O1 ZINC000592193919 342674559 /nfs/dbraw/zinc/67/45/59/342674559.db2.gz NRLBCPBJTAODKG-CYBMUJFWSA-N 1 2 291.395 1.582 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)CC2(CCCC2)O1 ZINC000592193919 342674561 /nfs/dbraw/zinc/67/45/61/342674561.db2.gz NRLBCPBJTAODKG-CYBMUJFWSA-N 1 2 291.395 1.582 20 30 CDEDLO Cc1cc(C)c(CNC(=O)N2CC[C@@](O)(CC#N)C2)c[nH+]1 ZINC000592030790 342662653 /nfs/dbraw/zinc/66/26/53/342662653.db2.gz ZQOUNZTZOHARSW-HNNXBMFYSA-N 1 2 288.351 1.259 20 30 CDEDLO CC(C)NC(=O)NCC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000592098441 342665129 /nfs/dbraw/zinc/66/51/29/342665129.db2.gz ABUOXTIFNAWRFS-ZDUSSCGKSA-N 1 2 252.362 1.320 20 30 CDEDLO CC(C)NC(=O)NCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000592098441 342665130 /nfs/dbraw/zinc/66/51/30/342665130.db2.gz ABUOXTIFNAWRFS-ZDUSSCGKSA-N 1 2 252.362 1.320 20 30 CDEDLO CC(C)c1noc([C@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592147965 342668059 /nfs/dbraw/zinc/66/80/59/342668059.db2.gz UVWKTLDDOVLZCV-GWCFXTLKSA-N 1 2 264.329 1.604 20 30 CDEDLO CC(C)c1noc([C@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592147965 342668060 /nfs/dbraw/zinc/66/80/60/342668060.db2.gz UVWKTLDDOVLZCV-GWCFXTLKSA-N 1 2 264.329 1.604 20 30 CDEDLO Cc1ccsc1CNC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151174 342668873 /nfs/dbraw/zinc/66/88/73/342668873.db2.gz NPFCYVDQMLKBMM-CQSZACIVSA-N 1 2 293.392 1.023 20 30 CDEDLO Cc1ccsc1CNC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592151174 342668874 /nfs/dbraw/zinc/66/88/74/342668874.db2.gz NPFCYVDQMLKBMM-CQSZACIVSA-N 1 2 293.392 1.023 20 30 CDEDLO CC[C@@H](C#N)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000593665426 342820201 /nfs/dbraw/zinc/82/02/01/342820201.db2.gz CHUSVGSCIVGFCT-WCQYABFASA-N 1 2 259.309 1.611 20 30 CDEDLO C=CCC[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C(=O)OCC ZINC000593738572 342826416 /nfs/dbraw/zinc/82/64/16/342826416.db2.gz IYLUEZFJWZMXBC-CHWSQXEVSA-N 1 2 293.367 1.848 20 30 CDEDLO COc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(F)c1 ZINC000562921496 361980964 /nfs/dbraw/zinc/98/09/64/361980964.db2.gz IXCCNRHMUGCAKZ-AWEZNQCLSA-N 1 2 279.315 1.408 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000594009010 342862941 /nfs/dbraw/zinc/86/29/41/342862941.db2.gz WLBOBPPCBFIERK-ZIAGYGMSSA-N 1 2 287.363 1.388 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](C(=O)OCC)C2)nn1 ZINC000593936770 342859134 /nfs/dbraw/zinc/85/91/34/342859134.db2.gz GVHBUQJJUSVQLK-ZDUSSCGKSA-N 1 2 292.383 1.629 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](C(=O)OCC)C2)nn1 ZINC000593936770 342859135 /nfs/dbraw/zinc/85/91/35/342859135.db2.gz GVHBUQJJUSVQLK-ZDUSSCGKSA-N 1 2 292.383 1.629 20 30 CDEDLO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)C1 ZINC000594507208 342914600 /nfs/dbraw/zinc/91/46/00/342914600.db2.gz BAPQXPBTMSJENI-UTUOFQBUSA-N 1 2 275.356 1.828 20 30 CDEDLO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2nnc([C@@H]3CCCO3)[nH]2)C1 ZINC000594507208 342914601 /nfs/dbraw/zinc/91/46/01/342914601.db2.gz BAPQXPBTMSJENI-UTUOFQBUSA-N 1 2 275.356 1.828 20 30 CDEDLO N#Cc1ccccc1-n1cc(CC[NH+]2CCOCC2)nn1 ZINC000594652304 342933473 /nfs/dbraw/zinc/93/34/73/342933473.db2.gz RCCWZFQAMHZNAQ-UHFFFAOYSA-N 1 2 283.335 1.014 20 30 CDEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)C(C)(C)C(F)F)c1C#N ZINC000619423546 349696142 /nfs/dbraw/zinc/69/61/42/349696142.db2.gz INISOGJARPTJID-UHFFFAOYSA-N 1 2 299.325 1.085 20 30 CDEDLO N#CCNC(=O)C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609417698 342299332 /nfs/dbraw/zinc/29/93/32/342299332.db2.gz IOIOQLSJDVTLNV-CQSZACIVSA-N 1 2 273.336 1.090 20 30 CDEDLO N#CCNC(=O)C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609417698 342299333 /nfs/dbraw/zinc/29/93/33/342299333.db2.gz IOIOQLSJDVTLNV-CQSZACIVSA-N 1 2 273.336 1.090 20 30 CDEDLO CCn1cnnc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000329102529 529598768 /nfs/dbraw/zinc/59/87/68/529598768.db2.gz FOSNGEKDEFWJPX-VIFPVBQESA-N 1 2 260.301 1.345 20 30 CDEDLO C[N@H+](CCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000074997031 342308517 /nfs/dbraw/zinc/30/85/17/342308517.db2.gz ZGXUIHOGHNEVBH-NSHDSACASA-N 1 2 253.346 1.841 20 30 CDEDLO C[N@@H+](CCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000074997031 342308518 /nfs/dbraw/zinc/30/85/18/342308518.db2.gz ZGXUIHOGHNEVBH-NSHDSACASA-N 1 2 253.346 1.841 20 30 CDEDLO C#CCNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000075558928 342313233 /nfs/dbraw/zinc/31/32/33/342313233.db2.gz UUCLFWZJGOOJPF-UHFFFAOYSA-N 1 2 268.320 1.364 20 30 CDEDLO CCc1nocc1C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000595397025 343047526 /nfs/dbraw/zinc/04/75/26/343047526.db2.gz HDEXZVDOXNOLGJ-HNNXBMFYSA-N 1 2 276.384 1.903 20 30 CDEDLO N#Cc1ccccc1CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000075889803 342315874 /nfs/dbraw/zinc/31/58/74/342315874.db2.gz ZIBQVXYKLPREJH-KRWDZBQOSA-N 1 2 285.391 1.855 20 30 CDEDLO CC1(C)C[S@@](=O)CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595457040 343067990 /nfs/dbraw/zinc/06/79/90/343067990.db2.gz YDQMDOAPRGSVKX-IBGZPJMESA-N 1 2 276.405 1.944 20 30 CDEDLO CC1(C)C[S@@](=O)CC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595457040 343067991 /nfs/dbraw/zinc/06/79/91/343067991.db2.gz YDQMDOAPRGSVKX-IBGZPJMESA-N 1 2 276.405 1.944 20 30 CDEDLO Cn1cnnc1C[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595496815 343077423 /nfs/dbraw/zinc/07/74/23/343077423.db2.gz IUYAMSHTBRFXQD-UHFFFAOYSA-N 1 2 255.325 1.361 20 30 CDEDLO Cn1cnnc1C[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595496815 343077424 /nfs/dbraw/zinc/07/74/24/343077424.db2.gz IUYAMSHTBRFXQD-UHFFFAOYSA-N 1 2 255.325 1.361 20 30 CDEDLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)on1 ZINC000595610792 343109218 /nfs/dbraw/zinc/10/92/18/343109218.db2.gz CGYHGAWRAGQIEU-LLVKDONJSA-N 1 2 262.313 1.547 20 30 CDEDLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)on1 ZINC000595610792 343109219 /nfs/dbraw/zinc/10/92/19/343109219.db2.gz CGYHGAWRAGQIEU-LLVKDONJSA-N 1 2 262.313 1.547 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1N(c2cc(C#N)cnn2)CC1(C)C ZINC000596002245 343206955 /nfs/dbraw/zinc/20/69/55/343206955.db2.gz FPJLPDJJELLOCP-GFCCVEGCSA-N 1 2 268.324 1.669 20 30 CDEDLO C#CCC[NH+]1CCN(c2nc(OC)ncc2Cl)CC1 ZINC000091480287 342404388 /nfs/dbraw/zinc/40/43/88/342404388.db2.gz FICGOSCKPYSSQE-UHFFFAOYSA-N 1 2 280.759 1.284 20 30 CDEDLO C[C@@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)c1[nH]cc[nH+]1 ZINC000565906572 365754042 /nfs/dbraw/zinc/75/40/42/365754042.db2.gz ZKWWLRJFEOJCED-SNVBAGLBSA-N 1 2 283.335 1.838 20 30 CDEDLO N#Cc1ccc(CCNC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000597888525 343658487 /nfs/dbraw/zinc/65/84/87/343658487.db2.gz AIJZOSXWWSFEHK-UHFFFAOYSA-N 1 2 268.320 1.573 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612002672 346962279 /nfs/dbraw/zinc/96/22/79/346962279.db2.gz LJQUNKURPFSTCZ-OCCSQVGLSA-N 1 2 275.356 1.607 20 30 CDEDLO C[C@H](C#N)N(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000598131848 343722837 /nfs/dbraw/zinc/72/28/37/343722837.db2.gz NIGHSVGIIKWROS-GHMZBOCLSA-N 1 2 258.325 1.349 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](CNC(=O)CCC)C1 ZINC000619717171 349867421 /nfs/dbraw/zinc/86/74/21/349867421.db2.gz FFNFCFKVWKWXSA-CHWSQXEVSA-N 1 2 282.384 1.342 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](CNC(=O)CCC)C1 ZINC000619717171 349867424 /nfs/dbraw/zinc/86/74/24/349867424.db2.gz FFNFCFKVWKWXSA-CHWSQXEVSA-N 1 2 282.384 1.342 20 30 CDEDLO C=CC[N@@H+](CCS(=O)(=O)NC)Cc1cccc(C#N)c1 ZINC000598585848 343835706 /nfs/dbraw/zinc/83/57/06/343835706.db2.gz AMRJFRVUAMYBMB-UHFFFAOYSA-N 1 2 293.392 1.095 20 30 CDEDLO C=CC[N@H+](CCS(=O)(=O)NC)Cc1cccc(C#N)c1 ZINC000598585848 343835707 /nfs/dbraw/zinc/83/57/07/343835707.db2.gz AMRJFRVUAMYBMB-UHFFFAOYSA-N 1 2 293.392 1.095 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000598612593 343842111 /nfs/dbraw/zinc/84/21/11/343842111.db2.gz YMRMNZXLYLNUBS-WDEREUQCSA-N 1 2 294.355 1.255 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000598612593 343842112 /nfs/dbraw/zinc/84/21/12/343842112.db2.gz YMRMNZXLYLNUBS-WDEREUQCSA-N 1 2 294.355 1.255 20 30 CDEDLO N#CCCCCCC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598950896 343934025 /nfs/dbraw/zinc/93/40/25/343934025.db2.gz VWZWAHZLJOFZPV-GFCCVEGCSA-N 1 2 260.341 1.788 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612108236 347023391 /nfs/dbraw/zinc/02/33/91/347023391.db2.gz UFBFRWARQJAANC-DZGCQCFKSA-N 1 2 294.399 1.042 20 30 CDEDLO Cc1ccc(N2CCN(Cc3[nH]cc[nH+]3)CC2)nc1C#N ZINC000344939730 362338170 /nfs/dbraw/zinc/33/81/70/362338170.db2.gz YFXUMMUWUHEJKN-UHFFFAOYSA-N 1 2 282.351 1.307 20 30 CDEDLO CCc1c[nH]c(CC(=O)N2CCC[C@](C)(C#N)C2)[nH+]1 ZINC000602137858 344347284 /nfs/dbraw/zinc/34/72/84/344347284.db2.gz ZLYSFTHZYCZXFS-CQSZACIVSA-N 1 2 260.341 1.667 20 30 CDEDLO CCc1c[nH]c(CC(=O)N2CCC[C@@](C)(C#N)C2)[nH+]1 ZINC000602137857 344347505 /nfs/dbraw/zinc/34/75/05/344347505.db2.gz ZLYSFTHZYCZXFS-AWEZNQCLSA-N 1 2 260.341 1.667 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)C(=O)OC ZINC000602642739 344512396 /nfs/dbraw/zinc/51/23/96/344512396.db2.gz LXGIHGNYINXUHJ-NEPJUHHUSA-N 1 2 271.357 1.278 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)CC1(CC#N)CC1 ZINC000602785915 344599070 /nfs/dbraw/zinc/59/90/70/344599070.db2.gz XBVYOZUCPFZDAC-UHFFFAOYSA-N 1 2 276.384 1.228 20 30 CDEDLO CC(C)Oc1cccc(CNC(=O)C[NH2+][C@@H](C)CC#N)c1 ZINC000602865086 344638344 /nfs/dbraw/zinc/63/83/44/344638344.db2.gz WELGBSIWPIHNTD-ZDUSSCGKSA-N 1 2 289.379 1.982 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2ccc(C#N)cc2)nn1 ZINC000603225862 344738547 /nfs/dbraw/zinc/73/85/47/344738547.db2.gz AKGIXRHWFASCTO-CYBMUJFWSA-N 1 2 279.347 1.872 20 30 CDEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccccn2)CC1 ZINC000609485914 344915124 /nfs/dbraw/zinc/91/51/24/344915124.db2.gz ZZCZXMZTQBJYCL-HNNXBMFYSA-N 1 2 258.369 1.747 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2CCN(C)C(=O)C2)c1 ZINC000127340271 187298185 /nfs/dbraw/zinc/29/81/85/187298185.db2.gz KGSNKWDHRTVYCN-UHFFFAOYSA-N 1 2 260.337 1.525 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2CCN(C)C(=O)C2)c1 ZINC000127340271 187298186 /nfs/dbraw/zinc/29/81/86/187298186.db2.gz KGSNKWDHRTVYCN-UHFFFAOYSA-N 1 2 260.337 1.525 20 30 CDEDLO N#CC1(CS(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000613264448 345452908 /nfs/dbraw/zinc/45/29/08/345452908.db2.gz KRGQWPDCGFPQKZ-LBPRGKRZSA-N 1 2 294.380 1.154 20 30 CDEDLO N#CCC1(CNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000619527656 345450924 /nfs/dbraw/zinc/45/09/24/345450924.db2.gz GGOMBPONRIHFRH-GFCCVEGCSA-N 1 2 287.367 1.543 20 30 CDEDLO N#CCC1(CNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000619527656 345450927 /nfs/dbraw/zinc/45/09/27/345450927.db2.gz GGOMBPONRIHFRH-GFCCVEGCSA-N 1 2 287.367 1.543 20 30 CDEDLO COC[C@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000265752365 362596744 /nfs/dbraw/zinc/59/67/44/362596744.db2.gz FPJMDZRFRRLJTJ-JTQLQIEISA-N 1 2 279.365 1.527 20 30 CDEDLO COC[C@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000265752365 362596748 /nfs/dbraw/zinc/59/67/48/362596748.db2.gz FPJMDZRFRRLJTJ-JTQLQIEISA-N 1 2 279.365 1.527 20 30 CDEDLO N#CCCCS(=O)(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000609541912 345596564 /nfs/dbraw/zinc/59/65/64/345596564.db2.gz PVJZQBKNQRRNKX-UHFFFAOYSA-N 1 2 293.392 1.225 20 30 CDEDLO COC(=O)[C@@H](C)[N@H+](C)CCOc1ccccc1C#N ZINC000265990487 362662193 /nfs/dbraw/zinc/66/21/93/362662193.db2.gz JICXROVAWRTNFP-LLVKDONJSA-N 1 2 262.309 1.430 20 30 CDEDLO COC(=O)[C@@H](C)[N@@H+](C)CCOc1ccccc1C#N ZINC000265990487 362662197 /nfs/dbraw/zinc/66/21/97/362662197.db2.gz JICXROVAWRTNFP-LLVKDONJSA-N 1 2 262.309 1.430 20 30 CDEDLO N#Cc1cc(F)c(S(=O)(=O)NCc2[nH]cc[nH+]2)c(F)c1 ZINC000611157902 346623307 /nfs/dbraw/zinc/62/33/07/346623307.db2.gz MNBOZSITTZWYJA-UHFFFAOYSA-N 1 2 298.274 1.038 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611175201 346626996 /nfs/dbraw/zinc/62/69/96/346626996.db2.gz VHPJXMGNUSFUND-OAHLLOKOSA-N 1 2 290.411 1.107 20 30 CDEDLO CC[N@H+](CC(=O)N(C)C)Cc1ccc(C#N)cc1OC ZINC000611235203 346704197 /nfs/dbraw/zinc/70/41/97/346704197.db2.gz MKRSCCDSXKITTP-UHFFFAOYSA-N 1 2 275.352 1.477 20 30 CDEDLO CC[N@@H+](CC(=O)N(C)C)Cc1ccc(C#N)cc1OC ZINC000611235203 346704198 /nfs/dbraw/zinc/70/41/98/346704198.db2.gz MKRSCCDSXKITTP-UHFFFAOYSA-N 1 2 275.352 1.477 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](Nc1ccc(C#N)nn1)c1ccccc1 ZINC000611239164 346705298 /nfs/dbraw/zinc/70/52/98/346705298.db2.gz KQHVBBKCYUVDMM-HNNXBMFYSA-N 1 2 290.330 1.705 20 30 CDEDLO N#CCCCNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000612380075 347141672 /nfs/dbraw/zinc/14/16/72/347141672.db2.gz SSVFCRLSGBYMEH-GFCCVEGCSA-N 1 2 261.329 1.533 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCC(=O)c1cccs1 ZINC000653756968 412536995 /nfs/dbraw/zinc/53/69/95/412536995.db2.gz ZQZHFOOOINVGHP-SNVBAGLBSA-N 1 2 279.365 1.329 20 30 CDEDLO C=C[C@@H](O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000613424183 347723626 /nfs/dbraw/zinc/72/36/26/347723626.db2.gz MFEAIXHZJIYEKP-CQSZACIVSA-N 1 2 277.368 1.449 20 30 CDEDLO C=C[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)C(=O)OC ZINC000619702531 347918742 /nfs/dbraw/zinc/91/87/42/347918742.db2.gz HFUFUSVMEKWZKJ-LLVKDONJSA-N 1 2 294.317 1.578 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000619717773 348186416 /nfs/dbraw/zinc/18/64/16/348186416.db2.gz IQWSRDLBKHCPRT-NWDGAFQWSA-N 1 2 290.367 1.131 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000619717773 348186420 /nfs/dbraw/zinc/18/64/20/348186420.db2.gz IQWSRDLBKHCPRT-NWDGAFQWSA-N 1 2 290.367 1.131 20 30 CDEDLO C=CC[N@@H+](CCc1ccco1)C[C@@H](C)S(C)(=O)=O ZINC000450701778 362858461 /nfs/dbraw/zinc/85/84/61/362858461.db2.gz XXIZVQFXRVBNKE-GFCCVEGCSA-N 1 2 271.382 1.743 20 30 CDEDLO C=CC[N@H+](CCc1ccco1)C[C@@H](C)S(C)(=O)=O ZINC000450701778 362858464 /nfs/dbraw/zinc/85/84/64/362858464.db2.gz XXIZVQFXRVBNKE-GFCCVEGCSA-N 1 2 271.382 1.743 20 30 CDEDLO C=CCC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCCC1 ZINC000619108433 348324728 /nfs/dbraw/zinc/32/47/28/348324728.db2.gz WASZPWQABNVHIE-GFCCVEGCSA-N 1 2 252.358 1.322 20 30 CDEDLO C=CCC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCCC1 ZINC000619108433 348324729 /nfs/dbraw/zinc/32/47/29/348324729.db2.gz WASZPWQABNVHIE-GFCCVEGCSA-N 1 2 252.358 1.322 20 30 CDEDLO Cc1cc([N+](=O)[O-])ccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414149024 362925407 /nfs/dbraw/zinc/92/54/07/362925407.db2.gz UHQGCKBQECWAJG-CYBMUJFWSA-N 1 2 293.323 1.488 20 30 CDEDLO Cc1cc([N+](=O)[O-])ccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414149024 362925414 /nfs/dbraw/zinc/92/54/14/362925414.db2.gz UHQGCKBQECWAJG-CYBMUJFWSA-N 1 2 293.323 1.488 20 30 CDEDLO Cc1cccc(OC[C@H](O)C[N@H+](C)CCC#N)c1F ZINC000414135692 362922573 /nfs/dbraw/zinc/92/25/73/362922573.db2.gz CWJYVVHOBBOYEC-GFCCVEGCSA-N 1 2 266.316 1.719 20 30 CDEDLO Cc1cccc(OC[C@H](O)C[N@@H+](C)CCC#N)c1F ZINC000414135692 362922578 /nfs/dbraw/zinc/92/25/78/362922578.db2.gz CWJYVVHOBBOYEC-GFCCVEGCSA-N 1 2 266.316 1.719 20 30 CDEDLO CO[C@@H]1CCC[C@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000576164173 348487437 /nfs/dbraw/zinc/48/74/37/348487437.db2.gz OBQVQEVYLFNAMV-GZBFAFLISA-N 1 2 281.400 1.542 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000045784949 348778949 /nfs/dbraw/zinc/77/89/49/348778949.db2.gz LFFQHUGNCSBIFX-KGLIPLIRSA-N 1 2 293.411 1.780 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000045784949 348778951 /nfs/dbraw/zinc/77/89/51/348778951.db2.gz LFFQHUGNCSBIFX-KGLIPLIRSA-N 1 2 293.411 1.780 20 30 CDEDLO Cc1cc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)on1 ZINC000046528951 348792688 /nfs/dbraw/zinc/79/26/88/348792688.db2.gz VUSYNOGIRBYYSI-UHFFFAOYSA-N 1 2 284.319 1.925 20 30 CDEDLO Cc1cc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)on1 ZINC000046528951 348792693 /nfs/dbraw/zinc/79/26/93/348792693.db2.gz VUSYNOGIRBYYSI-UHFFFAOYSA-N 1 2 284.319 1.925 20 30 CDEDLO CC[N@@H+](CC(=O)NC(C1CC1)C1CC1)C[C@@H](C)C#N ZINC000066424130 348984557 /nfs/dbraw/zinc/98/45/57/348984557.db2.gz YNPIETPJGYUNQL-NSHDSACASA-N 1 2 263.385 1.773 20 30 CDEDLO CC[N@H+](CC(=O)NC(C1CC1)C1CC1)C[C@@H](C)C#N ZINC000066424130 348984561 /nfs/dbraw/zinc/98/45/61/348984561.db2.gz YNPIETPJGYUNQL-NSHDSACASA-N 1 2 263.385 1.773 20 30 CDEDLO N#Cc1cccc(C[NH+]2CCN(c3ccc(O)cc3)CC2)n1 ZINC000602427799 350108842 /nfs/dbraw/zinc/10/88/42/350108842.db2.gz BVKKYEPQXDYMDG-UHFFFAOYSA-N 1 2 294.358 1.981 20 30 CDEDLO C=CCCOCC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000620205557 350092186 /nfs/dbraw/zinc/09/21/86/350092186.db2.gz XJZQJQKJKWBHHV-UHFFFAOYSA-N 1 2 273.336 1.852 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)C[C@@]2(CCCOC2)O1 ZINC000602643717 350136537 /nfs/dbraw/zinc/13/65/37/350136537.db2.gz SCGQVTIVOSIISA-CZUORRHYSA-N 1 2 287.363 1.723 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)C[C@@]2(CCCOC2)O1 ZINC000602643717 350136541 /nfs/dbraw/zinc/13/65/41/350136541.db2.gz SCGQVTIVOSIISA-CZUORRHYSA-N 1 2 287.363 1.723 20 30 CDEDLO N#Cc1cc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)ccn1 ZINC000603134592 350216580 /nfs/dbraw/zinc/21/65/80/350216580.db2.gz LXUPZIGZLAHCSK-NSHDSACASA-N 1 2 282.307 1.286 20 30 CDEDLO Cn1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292237400 198213426 /nfs/dbraw/zinc/21/34/26/198213426.db2.gz QAMOJTHKGIMATC-AWEZNQCLSA-N 1 2 283.335 1.340 20 30 CDEDLO Cn1ccc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292237400 198213428 /nfs/dbraw/zinc/21/34/28/198213428.db2.gz QAMOJTHKGIMATC-AWEZNQCLSA-N 1 2 283.335 1.340 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1cccc(C#N)c1 ZINC000152319853 188009764 /nfs/dbraw/zinc/00/97/64/188009764.db2.gz NQBVZUHCNOSWRK-AWEZNQCLSA-N 1 2 257.337 1.659 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000152319853 188009765 /nfs/dbraw/zinc/00/97/65/188009765.db2.gz NQBVZUHCNOSWRK-AWEZNQCLSA-N 1 2 257.337 1.659 20 30 CDEDLO CCOC(=O)C[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000155928480 188235941 /nfs/dbraw/zinc/23/59/41/188235941.db2.gz SFXQXZJAUJQCPY-UHFFFAOYSA-N 1 2 276.336 1.822 20 30 CDEDLO CCOC(=O)C[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000155928480 188235943 /nfs/dbraw/zinc/23/59/43/188235943.db2.gz SFXQXZJAUJQCPY-UHFFFAOYSA-N 1 2 276.336 1.822 20 30 CDEDLO CC#CC[NH+]1CCN(CCOc2ccccc2)CC1 ZINC000158466948 188377949 /nfs/dbraw/zinc/37/79/49/188377949.db2.gz TWNGZFRWXNLBPL-UHFFFAOYSA-N 1 2 258.365 1.706 20 30 CDEDLO Cn1cc(C[NH2+]Cc2nccc(C(F)F)n2)cc1C#N ZINC000342257831 363280824 /nfs/dbraw/zinc/28/08/24/363280824.db2.gz XNFUSFUXUKYTJO-UHFFFAOYSA-N 1 2 277.278 1.914 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ncc(C#N)cc1Cl ZINC000570097718 363356492 /nfs/dbraw/zinc/35/64/92/363356492.db2.gz KDOBRVRFVITCOQ-CYBMUJFWSA-N 1 2 291.742 1.180 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000336304794 356135161 /nfs/dbraw/zinc/13/51/61/356135161.db2.gz DKPDTEIMJGLKKP-UHFFFAOYSA-N 1 2 269.308 1.980 20 30 CDEDLO Cc1ccc(-c2csc(NC(N)=[NH2+])n2)cc1[N+](=O)[O-] ZINC000030005207 356746464 /nfs/dbraw/zinc/74/64/64/356746464.db2.gz UMGNEEOXJKZGBT-UHFFFAOYSA-N 1 2 277.309 1.932 20 30 CDEDLO CCOC(=O)C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344114718 356907701 /nfs/dbraw/zinc/90/77/01/356907701.db2.gz MXMHSQOFESSCMN-UHFFFAOYSA-N 1 2 276.336 1.570 20 30 CDEDLO CCOC(=O)C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344114718 356907703 /nfs/dbraw/zinc/90/77/03/356907703.db2.gz MXMHSQOFESSCMN-UHFFFAOYSA-N 1 2 276.336 1.570 20 30 CDEDLO N#CC1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000128440483 357250017 /nfs/dbraw/zinc/25/00/17/357250017.db2.gz UTJQUWOUCXVFIQ-AWEZNQCLSA-N 1 2 299.378 1.605 20 30 CDEDLO Cc1cnc(CN(CCC#N)CC[NH+]2CCOCC2)s1 ZINC000180528928 357274641 /nfs/dbraw/zinc/27/46/41/357274641.db2.gz QFIAENYGEPJTFC-UHFFFAOYSA-N 1 2 294.424 1.499 20 30 CDEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)CC1(C#N)CCCCC1 ZINC000600420955 357782262 /nfs/dbraw/zinc/78/22/62/357782262.db2.gz RTXULBLDGDWYMO-CYBMUJFWSA-N 1 2 279.384 1.297 20 30 CDEDLO C[N@H+]1CCOC[C@H]1CNC(=O)CC1(C#N)CCCCC1 ZINC000600420955 357782265 /nfs/dbraw/zinc/78/22/65/357782265.db2.gz RTXULBLDGDWYMO-CYBMUJFWSA-N 1 2 279.384 1.297 20 30 CDEDLO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000335464458 357916346 /nfs/dbraw/zinc/91/63/46/357916346.db2.gz IRFOWGBJXAMDQR-SGTLLEGYSA-N 1 2 262.378 1.901 20 30 CDEDLO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000335464458 357916350 /nfs/dbraw/zinc/91/63/50/357916350.db2.gz IRFOWGBJXAMDQR-SGTLLEGYSA-N 1 2 262.378 1.901 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCc1c[nH+]ccc1OC ZINC000294580979 199095286 /nfs/dbraw/zinc/09/52/86/199095286.db2.gz LRRWBTXBMDRXQY-CYBMUJFWSA-N 1 2 250.298 1.034 20 30 CDEDLO CC[C@H]1C[N@H+](CCNC(=O)NCCCCC#N)CCO1 ZINC000494882945 366513982 /nfs/dbraw/zinc/51/39/82/366513982.db2.gz MGXWYGMUPCYENH-ZDUSSCGKSA-N 1 2 282.388 1.090 20 30 CDEDLO CC[C@H]1C[N@@H+](CCNC(=O)NCCCCC#N)CCO1 ZINC000494882945 366513987 /nfs/dbraw/zinc/51/39/87/366513987.db2.gz MGXWYGMUPCYENH-ZDUSSCGKSA-N 1 2 282.388 1.090 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000494225563 366503427 /nfs/dbraw/zinc/50/34/27/366503427.db2.gz AVBLAKFCCGQLSJ-UKRRQHHQSA-N 1 2 293.411 1.600 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000494225563 366503434 /nfs/dbraw/zinc/50/34/34/366503434.db2.gz AVBLAKFCCGQLSJ-UKRRQHHQSA-N 1 2 293.411 1.600 20 30 CDEDLO CCn1cc[nH+]c1[C@@H](C)Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000450825317 359010114 /nfs/dbraw/zinc/01/01/14/359010114.db2.gz FECJKYNYRAHKMQ-SECBINFHSA-N 1 2 286.295 1.673 20 30 CDEDLO C=CC[C@H](C)NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000265292539 359324887 /nfs/dbraw/zinc/32/48/87/359324887.db2.gz KPZRBXXFLNQRBC-NSHDSACASA-N 1 2 262.357 1.911 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCCCn1cc[nH+]c1)OCC ZINC000270164222 359390453 /nfs/dbraw/zinc/39/04/53/359390453.db2.gz ZRPHVSLYVQDGEC-CYBMUJFWSA-N 1 2 265.357 1.761 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCc1ccccc1OC)C1CC1 ZINC000274153139 359482268 /nfs/dbraw/zinc/48/22/68/359482268.db2.gz LGJLQVMZEFROST-UHFFFAOYSA-N 1 2 272.348 1.409 20 30 CDEDLO C#CC[N@H+](CC(=O)NCc1ccccc1OC)C1CC1 ZINC000274153139 359482271 /nfs/dbraw/zinc/48/22/71/359482271.db2.gz LGJLQVMZEFROST-UHFFFAOYSA-N 1 2 272.348 1.409 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CC[S@](=O)C[C@@H](C)C2)cc1 ZINC000277535799 359566916 /nfs/dbraw/zinc/56/69/16/359566916.db2.gz QBBWKDFXKXDDEU-XOBRGWDASA-N 1 2 291.416 1.899 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CC[S@](=O)C[C@@H](C)C2)cc1 ZINC000277535799 359566919 /nfs/dbraw/zinc/56/69/19/359566919.db2.gz QBBWKDFXKXDDEU-XOBRGWDASA-N 1 2 291.416 1.899 20 30 CDEDLO CCC(=O)CC[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000289591003 359625746 /nfs/dbraw/zinc/62/57/46/359625746.db2.gz XENVUFCNDZTGSP-UHFFFAOYSA-N 1 2 292.408 1.814 20 30 CDEDLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CCC#N ZINC000495772126 366539311 /nfs/dbraw/zinc/53/93/11/366539311.db2.gz WIROBPSRKZMVBW-GFCCVEGCSA-N 1 2 253.346 1.843 20 30 CDEDLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CCC#N ZINC000495772126 366539316 /nfs/dbraw/zinc/53/93/16/366539316.db2.gz WIROBPSRKZMVBW-GFCCVEGCSA-N 1 2 253.346 1.843 20 30 CDEDLO C=CC1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000111858412 359926230 /nfs/dbraw/zinc/92/62/30/359926230.db2.gz FCDBOVJRCJXJPX-UONOGXRCSA-N 1 2 295.427 1.703 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@H]1CCCC12CCOCC2)C(=O)OC ZINC000337359761 360087311 /nfs/dbraw/zinc/08/73/11/360087311.db2.gz CNBFLLPXLFQKFM-KGLIPLIRSA-N 1 2 297.395 1.670 20 30 CDEDLO C=CCn1cccc1C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000337568362 360251430 /nfs/dbraw/zinc/25/14/30/360251430.db2.gz AEQSZMXSNNJBOJ-OAHLLOKOSA-N 1 2 296.374 1.856 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000091702910 360245910 /nfs/dbraw/zinc/24/59/10/360245910.db2.gz LNOPNMDDPCVZLC-NSHDSACASA-N 1 2 276.340 1.086 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000091702910 360245914 /nfs/dbraw/zinc/24/59/14/360245914.db2.gz LNOPNMDDPCVZLC-NSHDSACASA-N 1 2 276.340 1.086 20 30 CDEDLO CCC(=O)c1ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000098072130 360350418 /nfs/dbraw/zinc/35/04/18/360350418.db2.gz RJKLHWLTHASQDN-CQSZACIVSA-N 1 2 290.363 1.864 20 30 CDEDLO CCC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000098072130 360350423 /nfs/dbraw/zinc/35/04/23/360350423.db2.gz RJKLHWLTHASQDN-CQSZACIVSA-N 1 2 290.363 1.864 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)c1ccc(Cl)c(C#N)c1 ZINC000548132408 360308170 /nfs/dbraw/zinc/30/81/70/360308170.db2.gz DHKVYKNCKWJKHM-UHFFFAOYSA-N 1 2 288.738 1.918 20 30 CDEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)NCc1cccc(OC)c1 ZINC000348579394 360425805 /nfs/dbraw/zinc/42/58/05/360425805.db2.gz PRMKRQCAUQBTJQ-ZDUSSCGKSA-N 1 2 289.379 1.935 20 30 CDEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)NCc1cccc(OC)c1 ZINC000348579394 360425807 /nfs/dbraw/zinc/42/58/07/360425807.db2.gz PRMKRQCAUQBTJQ-ZDUSSCGKSA-N 1 2 289.379 1.935 20 30 CDEDLO COC[C@H]1C[N@H+](CC#Cc2ccc(F)cc2)CCO1 ZINC000179009081 189161821 /nfs/dbraw/zinc/16/18/21/189161821.db2.gz KCUCQGHQIBFOTA-OAHLLOKOSA-N 1 2 263.312 1.524 20 30 CDEDLO COC[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)CCO1 ZINC000179009081 189161822 /nfs/dbraw/zinc/16/18/22/189161822.db2.gz KCUCQGHQIBFOTA-OAHLLOKOSA-N 1 2 263.312 1.524 20 30 CDEDLO C=CCCNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000665940786 482850894 /nfs/dbraw/zinc/85/08/94/482850894.db2.gz MGIXBUKILSDAHH-LLVKDONJSA-N 1 2 280.372 1.355 20 30 CDEDLO Cc1cccc([C@@H](CNC(=O)CC#N)[NH+]2CCOCC2)c1 ZINC000129888363 360892455 /nfs/dbraw/zinc/89/24/55/360892455.db2.gz QLLGYEHWZZYFBY-OAHLLOKOSA-N 1 2 287.363 1.398 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000051315827 360960114 /nfs/dbraw/zinc/96/01/14/360960114.db2.gz GKLFSGMLXHOXJF-UHFFFAOYSA-N 1 2 268.320 1.341 20 30 CDEDLO COc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)c(OC)n1 ZINC000562232102 361156013 /nfs/dbraw/zinc/15/60/13/361156013.db2.gz AQGGTQROGSLMQZ-LLVKDONJSA-N 1 2 274.324 1.632 20 30 CDEDLO C=CCNc1ncc(C(=O)Nc2cc[nH+]cc2C)s1 ZINC000432927821 361200243 /nfs/dbraw/zinc/20/02/43/361200243.db2.gz ONIHFNVJBBIVLL-UHFFFAOYSA-N 1 2 274.349 1.541 20 30 CDEDLO CN(C)C(=O)O[C@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000496407623 366810207 /nfs/dbraw/zinc/81/02/07/366810207.db2.gz VIOSYEMHUJLKLH-STQMWFEESA-N 1 2 278.356 1.593 20 30 CDEDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000496407623 366810213 /nfs/dbraw/zinc/81/02/13/366810213.db2.gz VIOSYEMHUJLKLH-STQMWFEESA-N 1 2 278.356 1.593 20 30 CDEDLO C[C@@H]1CCN(c2ccc(C#N)c(N)n2)C[C@H]1n1cc[nH+]c1 ZINC000580212261 363894039 /nfs/dbraw/zinc/89/40/39/363894039.db2.gz FAZLXCJYHWQKOS-DGCLKSJQSA-N 1 2 282.351 1.819 20 30 CDEDLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000580834411 363949464 /nfs/dbraw/zinc/94/94/64/363949464.db2.gz AILQNLXSUYTCGL-MNOVXSKESA-N 1 2 271.324 1.210 20 30 CDEDLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000580834411 363949467 /nfs/dbraw/zinc/94/94/67/363949467.db2.gz AILQNLXSUYTCGL-MNOVXSKESA-N 1 2 271.324 1.210 20 30 CDEDLO N#CCC1(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)CC1 ZINC000639588522 364181417 /nfs/dbraw/zinc/18/14/17/364181417.db2.gz IROMVQYZTHMXHR-QWHCGFSZSA-N 1 2 262.353 1.750 20 30 CDEDLO N#CCC1(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)CC1 ZINC000639588522 364181421 /nfs/dbraw/zinc/18/14/21/364181421.db2.gz IROMVQYZTHMXHR-QWHCGFSZSA-N 1 2 262.353 1.750 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N(CC)C[C@H](C)C#N)CCO1 ZINC000249722437 364542016 /nfs/dbraw/zinc/54/20/16/364542016.db2.gz NPDCPHOZJLACHG-CHWSQXEVSA-N 1 2 267.373 1.105 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)CCO1 ZINC000249722437 364542022 /nfs/dbraw/zinc/54/20/22/364542022.db2.gz NPDCPHOZJLACHG-CHWSQXEVSA-N 1 2 267.373 1.105 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2noc(CCCC)n2)nn1 ZINC000640994261 364804707 /nfs/dbraw/zinc/80/47/07/364804707.db2.gz RULMHSBXAQOUTH-UHFFFAOYSA-N 1 2 288.355 1.165 20 30 CDEDLO C=CCCCS(=O)(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000644194088 364863960 /nfs/dbraw/zinc/86/39/60/364863960.db2.gz JXENKYACXXVZMK-GFCCVEGCSA-N 1 2 260.403 1.308 20 30 CDEDLO C=CCCCS(=O)(=O)N1CC[N@H+](CC)[C@H](C)C1 ZINC000644194088 364863965 /nfs/dbraw/zinc/86/39/65/364863965.db2.gz JXENKYACXXVZMK-GFCCVEGCSA-N 1 2 260.403 1.308 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000272499215 367742662 /nfs/dbraw/zinc/74/26/62/367742662.db2.gz DFTCLKGRCPSZNK-GLQYFDAESA-N 1 2 288.347 1.475 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000272499215 367742668 /nfs/dbraw/zinc/74/26/68/367742668.db2.gz DFTCLKGRCPSZNK-GLQYFDAESA-N 1 2 288.347 1.475 20 30 CDEDLO C#CC[N@H+](CC(=O)NC1CC1)Cc1ccc(F)cc1 ZINC000065958420 368340496 /nfs/dbraw/zinc/34/04/96/368340496.db2.gz JSFQDLZZQGKSMV-UHFFFAOYSA-N 1 2 260.312 1.540 20 30 CDEDLO C#CC[N@@H+](CC(=O)NC1CC1)Cc1ccc(F)cc1 ZINC000065958420 368340500 /nfs/dbraw/zinc/34/05/00/368340500.db2.gz JSFQDLZZQGKSMV-UHFFFAOYSA-N 1 2 260.312 1.540 20 30 CDEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC000371781946 370407376 /nfs/dbraw/zinc/40/73/76/370407376.db2.gz QJYCGKVUYGKWBY-HOTGVXAUSA-N 1 2 283.375 1.990 20 30 CDEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC000371781946 370407381 /nfs/dbraw/zinc/40/73/81/370407381.db2.gz QJYCGKVUYGKWBY-HOTGVXAUSA-N 1 2 283.375 1.990 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CSC[C@@H]1CCCCO1 ZINC000568753528 371230858 /nfs/dbraw/zinc/23/08/58/371230858.db2.gz SAAOCBNOFFPJNQ-JSGCOSHPSA-N 1 2 299.440 1.249 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(CC#N)cc1 ZINC000573253886 371475621 /nfs/dbraw/zinc/47/56/21/371475621.db2.gz IQBWFCGDXLRQSM-HNNXBMFYSA-N 1 2 270.336 1.326 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cnn(C)c1 ZINC000348306279 373101621 /nfs/dbraw/zinc/10/16/21/373101621.db2.gz DAFLOSQITYJDBW-QMTHXVAHSA-N 1 2 283.335 1.169 20 30 CDEDLO COCC[N@H+](Cc1ccc(C#N)c(F)c1)[C@H](C)C(N)=O ZINC000192012027 373570144 /nfs/dbraw/zinc/57/01/44/373570144.db2.gz KGLVFRQRNHIVMD-SNVBAGLBSA-N 1 2 279.315 1.020 20 30 CDEDLO COCC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H](C)C(N)=O ZINC000192012027 373570148 /nfs/dbraw/zinc/57/01/48/373570148.db2.gz KGLVFRQRNHIVMD-SNVBAGLBSA-N 1 2 279.315 1.020 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1c[nH]nc1C ZINC000639966661 373880564 /nfs/dbraw/zinc/88/05/64/373880564.db2.gz DKXSCAOWDSKZKK-UHFFFAOYSA-N 1 2 262.357 1.351 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1c[nH]nc1C ZINC000639966661 373880568 /nfs/dbraw/zinc/88/05/68/373880568.db2.gz DKXSCAOWDSKZKK-UHFFFAOYSA-N 1 2 262.357 1.351 20 30 CDEDLO CC(=O)N1CC[NH+](CCNc2ccc(F)cc2C#N)CC1 ZINC000301335077 373885003 /nfs/dbraw/zinc/88/50/03/373885003.db2.gz CMQQLPBTTFOGPM-UHFFFAOYSA-N 1 2 290.342 1.273 20 30 CDEDLO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356404488 373844216 /nfs/dbraw/zinc/84/42/16/373844216.db2.gz BUEZVPXXFQFZJP-SECBINFHSA-N 1 2 267.354 1.788 20 30 CDEDLO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356404488 373844221 /nfs/dbraw/zinc/84/42/21/373844221.db2.gz BUEZVPXXFQFZJP-SECBINFHSA-N 1 2 267.354 1.788 20 30 CDEDLO CC(C)(C)[C@H]([NH2+]Cc1nc(C#N)cs1)C(N)=O ZINC000356444385 373847803 /nfs/dbraw/zinc/84/78/03/373847803.db2.gz YLGYTDHKTAVTJF-SECBINFHSA-N 1 2 252.343 1.004 20 30 CDEDLO CC[C@H]1C[N@H+](CCNc2cccnc2C#N)CCO1 ZINC000357685537 373927769 /nfs/dbraw/zinc/92/77/69/373927769.db2.gz BNHPTNBWNFNIBH-LBPRGKRZSA-N 1 2 260.341 1.476 20 30 CDEDLO CC[C@H]1C[N@@H+](CCNc2cccnc2C#N)CCO1 ZINC000357685537 373927776 /nfs/dbraw/zinc/92/77/76/373927776.db2.gz BNHPTNBWNFNIBH-LBPRGKRZSA-N 1 2 260.341 1.476 20 30 CDEDLO Cc1nnc(NCc2ccc(N)[nH+]c2)c(C#N)c1C ZINC000302775262 373980249 /nfs/dbraw/zinc/98/02/49/373980249.db2.gz OMYKARUSSHWTQG-UHFFFAOYSA-N 1 2 254.297 1.554 20 30 CDEDLO COc1cc(CN2C[C@@H]3OCC[N@H+](C)[C@H]3C2)ccc1C#N ZINC000350667353 374048377 /nfs/dbraw/zinc/04/83/77/374048377.db2.gz OTLFBDVNJVZWAC-HOCLYGCPSA-N 1 2 287.363 1.082 20 30 CDEDLO COc1cc(CN2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)ccc1C#N ZINC000350667353 374048381 /nfs/dbraw/zinc/04/83/81/374048381.db2.gz OTLFBDVNJVZWAC-HOCLYGCPSA-N 1 2 287.363 1.082 20 30 CDEDLO CO[C@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000076346033 374219538 /nfs/dbraw/zinc/21/95/38/374219538.db2.gz OFALRTUEVQXNLM-NSHDSACASA-N 1 2 279.365 1.669 20 30 CDEDLO CO[C@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000076346033 374219543 /nfs/dbraw/zinc/21/95/43/374219543.db2.gz OFALRTUEVQXNLM-NSHDSACASA-N 1 2 279.365 1.669 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NCc2cn3ccccc3[nH+]2)c1 ZINC000351718436 374265674 /nfs/dbraw/zinc/26/56/74/374265674.db2.gz ADKBTCDFVVVOCE-UHFFFAOYSA-N 1 2 265.276 1.464 20 30 CDEDLO N#CCCN1CC[NH+](CCC(=O)c2ccc(F)cc2)CC1 ZINC000640139518 374292728 /nfs/dbraw/zinc/29/27/28/374292728.db2.gz LNDKHZMBAZYDGG-UHFFFAOYSA-N 1 2 289.354 1.930 20 30 CDEDLO Cn1c[nH+]c2c1CCN(Cc1ccc(F)c(C#N)c1)C2 ZINC000370441097 374393739 /nfs/dbraw/zinc/39/37/39/374393739.db2.gz MDBMOOUMNJZEHG-UHFFFAOYSA-N 1 2 270.311 1.989 20 30 CDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2nc[nH]c2C1 ZINC000528507823 374448951 /nfs/dbraw/zinc/44/89/51/374448951.db2.gz XSVPWMBBRREIMC-ZDUSSCGKSA-N 1 2 298.346 1.079 20 30 CDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCc2nc[nH]c2C1 ZINC000528507823 374448963 /nfs/dbraw/zinc/44/89/63/374448963.db2.gz XSVPWMBBRREIMC-ZDUSSCGKSA-N 1 2 298.346 1.079 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377484928 374603520 /nfs/dbraw/zinc/60/35/20/374603520.db2.gz MWUJPTIQSZYVQT-CYBMUJFWSA-N 1 2 283.335 1.762 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377484928 374603526 /nfs/dbraw/zinc/60/35/26/374603526.db2.gz MWUJPTIQSZYVQT-CYBMUJFWSA-N 1 2 283.335 1.762 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)CC[S@]1=O ZINC000277031695 374766562 /nfs/dbraw/zinc/76/65/62/374766562.db2.gz BBWITRPZTLMLQK-KZULUSFZSA-N 1 2 262.378 1.901 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)CC[S@]1=O ZINC000277031695 374766572 /nfs/dbraw/zinc/76/65/72/374766572.db2.gz BBWITRPZTLMLQK-KZULUSFZSA-N 1 2 262.378 1.901 20 30 CDEDLO C[N@H+](CC#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000334306337 374864891 /nfs/dbraw/zinc/86/48/91/374864891.db2.gz HAHLRWPGGHIDKK-UHFFFAOYSA-N 1 2 257.337 1.747 20 30 CDEDLO C[N@@H+](CC#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000334306337 374864895 /nfs/dbraw/zinc/86/48/95/374864895.db2.gz HAHLRWPGGHIDKK-UHFFFAOYSA-N 1 2 257.337 1.747 20 30 CDEDLO N#Cc1cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccn1 ZINC000330028443 374839258 /nfs/dbraw/zinc/83/92/58/374839258.db2.gz OMNXRWWPOTZJKG-UHFFFAOYSA-N 1 2 281.319 1.696 20 30 CDEDLO N#Cc1cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccn1 ZINC000330028443 374839268 /nfs/dbraw/zinc/83/92/68/374839268.db2.gz OMNXRWWPOTZJKG-UHFFFAOYSA-N 1 2 281.319 1.696 20 30 CDEDLO CCS(=O)(=O)CC[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000282217930 375073041 /nfs/dbraw/zinc/07/30/41/375073041.db2.gz HTTCTXODEFHJDJ-UHFFFAOYSA-N 1 2 296.392 1.433 20 30 CDEDLO CCS(=O)(=O)CC[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000282217930 375073054 /nfs/dbraw/zinc/07/30/54/375073054.db2.gz HTTCTXODEFHJDJ-UHFFFAOYSA-N 1 2 296.392 1.433 20 30 CDEDLO CS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000282399760 375084197 /nfs/dbraw/zinc/08/41/97/375084197.db2.gz CMIWLCLMXSKTGV-NSHDSACASA-N 1 2 270.379 1.239 20 30 CDEDLO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000282399760 375084201 /nfs/dbraw/zinc/08/42/01/375084201.db2.gz CMIWLCLMXSKTGV-NSHDSACASA-N 1 2 270.379 1.239 20 30 CDEDLO COc1cc(C[N@@H+]2CCNC(=O)[C@H]2C(C)C)ccc1C#N ZINC000282148681 375067324 /nfs/dbraw/zinc/06/73/24/375067324.db2.gz CNNTYEUPGRPCCT-OAHLLOKOSA-N 1 2 287.363 1.523 20 30 CDEDLO COc1cc(C[N@H+]2CCNC(=O)[C@H]2C(C)C)ccc1C#N ZINC000282148681 375067332 /nfs/dbraw/zinc/06/73/32/375067332.db2.gz CNNTYEUPGRPCCT-OAHLLOKOSA-N 1 2 287.363 1.523 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(C#N)cn1C)C1CC1 ZINC000353346550 375261062 /nfs/dbraw/zinc/26/10/62/375261062.db2.gz BQZDINQFKSTWDR-CYBMUJFWSA-N 1 2 283.335 1.511 20 30 CDEDLO CC1CC(C#N)(C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000532072827 375810623 /nfs/dbraw/zinc/81/06/23/375810623.db2.gz TURHHEWCULMGEA-UHFFFAOYSA-N 1 2 272.352 1.986 20 30 CDEDLO N#CC1(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)CC1 ZINC000328647855 375905949 /nfs/dbraw/zinc/90/59/49/375905949.db2.gz HTDTWZAQKBCKEP-UHFFFAOYSA-N 1 2 297.424 1.180 20 30 CDEDLO C[C@H](NC(=O)[C@H](C)[NH+]1CCSCC1)C(=O)N1CCCC1 ZINC000328772920 375952618 /nfs/dbraw/zinc/95/26/18/375952618.db2.gz HHHDRQXSOZJBTC-RYUDHWBXSA-N 1 2 299.440 1.391 20 30 CDEDLO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000328945854 376018123 /nfs/dbraw/zinc/01/81/23/376018123.db2.gz AZRGNBLAYZCVDK-OCCSQVGLSA-N 1 2 293.411 1.971 20 30 CDEDLO C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000328945854 376018127 /nfs/dbraw/zinc/01/81/27/376018127.db2.gz AZRGNBLAYZCVDK-OCCSQVGLSA-N 1 2 293.411 1.971 20 30 CDEDLO C[N@H+](CC(=O)NC1CC1)Cc1ccc(C#N)cc1F ZINC000053897068 376595753 /nfs/dbraw/zinc/59/57/53/376595753.db2.gz OGKPZMWSNIYNPO-UHFFFAOYSA-N 1 2 261.300 1.408 20 30 CDEDLO C[N@@H+](CC(=O)NC1CC1)Cc1ccc(C#N)cc1F ZINC000053897068 376595767 /nfs/dbraw/zinc/59/57/67/376595767.db2.gz OGKPZMWSNIYNPO-UHFFFAOYSA-N 1 2 261.300 1.408 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+](CCC#N)CC(CC)CC ZINC000072692964 376803405 /nfs/dbraw/zinc/80/34/05/376803405.db2.gz PBNBJDBSLOAADC-UHFFFAOYSA-N 1 2 294.399 1.650 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+](CCC#N)CC(CC)CC ZINC000072692964 376803408 /nfs/dbraw/zinc/80/34/08/376803408.db2.gz PBNBJDBSLOAADC-UHFFFAOYSA-N 1 2 294.399 1.650 20 30 CDEDLO C=C(C)C[NH+]1CCN(c2nc(CC)ns2)CC1 ZINC000076061400 377459016 /nfs/dbraw/zinc/45/90/16/377459016.db2.gz APUSDWICADVUDY-UHFFFAOYSA-N 1 2 252.387 1.799 20 30 CDEDLO CC#CC[N@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000076047489 377459173 /nfs/dbraw/zinc/45/91/73/377459173.db2.gz QTLZIYLZSUPJMF-UHFFFAOYSA-N 1 2 280.393 1.228 20 30 CDEDLO CC#CC[N@@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000076047489 377459175 /nfs/dbraw/zinc/45/91/75/377459175.db2.gz QTLZIYLZSUPJMF-UHFFFAOYSA-N 1 2 280.393 1.228 20 30 CDEDLO N#CC1CCN(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000335057875 377789724 /nfs/dbraw/zinc/78/97/24/377789724.db2.gz GCHZSXJCCGYEFA-LLVKDONJSA-N 1 2 286.326 1.176 20 30 CDEDLO C#CCOc1ccc(C[NH2+]Cc2ncn(C)n2)cc1 ZINC000092851164 378011171 /nfs/dbraw/zinc/01/11/71/378011171.db2.gz UGCYOGBAFMCSOW-UHFFFAOYSA-N 1 2 256.309 1.117 20 30 CDEDLO CC#CC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000283079533 378084449 /nfs/dbraw/zinc/08/44/49/378084449.db2.gz DPKDJFKVIFCSRF-UHFFFAOYSA-N 1 2 265.382 1.035 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000192608399 378210963 /nfs/dbraw/zinc/21/09/63/378210963.db2.gz KFGIHEZADAITGL-OAHLLOKOSA-N 1 2 282.343 1.369 20 30 CDEDLO C#CC[N@@H+](C)[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000192235897 378176818 /nfs/dbraw/zinc/17/68/18/378176818.db2.gz ZFYYNLAXKSTLEB-LBPRGKRZSA-N 1 2 264.275 1.635 20 30 CDEDLO C#CC[N@H+](C)[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000192235897 378176823 /nfs/dbraw/zinc/17/68/23/378176823.db2.gz ZFYYNLAXKSTLEB-LBPRGKRZSA-N 1 2 264.275 1.635 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccccc1OC(F)F ZINC000192237751 378180532 /nfs/dbraw/zinc/18/05/32/378180532.db2.gz RIPKVPPLEIVBNN-UHFFFAOYSA-N 1 2 268.263 1.792 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccccc1OC(F)F ZINC000192237751 378180536 /nfs/dbraw/zinc/18/05/36/378180536.db2.gz RIPKVPPLEIVBNN-UHFFFAOYSA-N 1 2 268.263 1.792 20 30 CDEDLO C[C@H](CC(=O)N(CCC#N)CC1CC1)n1cc[nH+]c1 ZINC000563812486 378183077 /nfs/dbraw/zinc/18/30/77/378183077.db2.gz ABJNJXVGFLZFDA-GFCCVEGCSA-N 1 2 260.341 1.986 20 30 CDEDLO C=C[C@@H](CO)NC(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000290682985 378401516 /nfs/dbraw/zinc/40/15/16/378401516.db2.gz UFXHNTJZVXNAHP-NSHDSACASA-N 1 2 273.336 1.262 20 30 CDEDLO C#CCOc1ccc(C[NH2+]Cc2nnc(CC)[nH]2)cc1 ZINC000296162369 378720048 /nfs/dbraw/zinc/72/00/48/378720048.db2.gz WPHKYIZPPGYUKR-UHFFFAOYSA-N 1 2 270.336 1.669 20 30 CDEDLO C=CCSCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343354463 378783930 /nfs/dbraw/zinc/78/39/30/378783930.db2.gz AYIXLKVFPGNWPH-LLVKDONJSA-N 1 2 265.382 1.481 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186054599 378814842 /nfs/dbraw/zinc/81/48/42/378814842.db2.gz MNZTUCTUVXXJDX-MRXNPFEDSA-N 1 2 288.391 1.622 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186054599 378814846 /nfs/dbraw/zinc/81/48/46/378814846.db2.gz MNZTUCTUVXXJDX-MRXNPFEDSA-N 1 2 288.391 1.622 20 30 CDEDLO C#C[C@@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000186051089 378841537 /nfs/dbraw/zinc/84/15/37/378841537.db2.gz DIOVMHXESXBQKN-KGLIPLIRSA-N 1 2 286.379 1.492 20 30 CDEDLO CCn1ncnc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000278857915 194185659 /nfs/dbraw/zinc/18/56/59/194185659.db2.gz MULJBPYNPKPZMO-UHFFFAOYSA-N 1 2 267.336 1.949 20 30 CDEDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000042312973 379564327 /nfs/dbraw/zinc/56/43/27/379564327.db2.gz JEGVGZXCSULPSB-WFASDCNBSA-N 1 2 287.363 1.996 20 30 CDEDLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000042312973 379564333 /nfs/dbraw/zinc/56/43/33/379564333.db2.gz JEGVGZXCSULPSB-WFASDCNBSA-N 1 2 287.363 1.996 20 30 CDEDLO N#Cc1ccc(/C=C/C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000492755928 253287848 /nfs/dbraw/zinc/28/78/48/253287848.db2.gz ZIJKHJOVIKYAAI-NFAHFFEMSA-N 1 2 292.342 1.899 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000192222497 533112206 /nfs/dbraw/zinc/11/22/06/533112206.db2.gz NPMWQOAXYSQDCL-SECBINFHSA-N 1 2 252.264 1.857 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000192222497 533112209 /nfs/dbraw/zinc/11/22/09/533112209.db2.gz NPMWQOAXYSQDCL-SECBINFHSA-N 1 2 252.264 1.857 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)OC)[nH]2)C1=O ZINC000281342642 195204441 /nfs/dbraw/zinc/20/44/41/195204441.db2.gz SWNFCQICZZCDCK-CYBMUJFWSA-N 1 2 291.351 1.020 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)OC)[nH]2)C1=O ZINC000281342642 195204443 /nfs/dbraw/zinc/20/44/43/195204443.db2.gz SWNFCQICZZCDCK-CYBMUJFWSA-N 1 2 291.351 1.020 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)c2cnccn2)C1=O ZINC000281462386 195249897 /nfs/dbraw/zinc/24/98/97/195249897.db2.gz VICVBMJIMXCPRO-AAEUAGOBSA-N 1 2 260.341 1.256 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)c2cnccn2)C1=O ZINC000281462386 195249899 /nfs/dbraw/zinc/24/98/99/195249899.db2.gz VICVBMJIMXCPRO-AAEUAGOBSA-N 1 2 260.341 1.256 20 30 CDEDLO C=CC[C@@H](C)NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000116973201 260021154 /nfs/dbraw/zinc/02/11/54/260021154.db2.gz SQVBESNQXKFMBJ-CQSZACIVSA-N 1 2 288.395 1.873 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@H]1CCSC1 ZINC000329797984 262376146 /nfs/dbraw/zinc/37/61/46/262376146.db2.gz GDGSBGZJWNWJFX-NSHDSACASA-N 1 2 287.429 1.106 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)N[C@H]1CCSC1 ZINC000329797984 262376148 /nfs/dbraw/zinc/37/61/48/262376148.db2.gz GDGSBGZJWNWJFX-NSHDSACASA-N 1 2 287.429 1.106 20 30 CDEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)N1CCOCC1 ZINC000071893015 390146617 /nfs/dbraw/zinc/14/66/17/390146617.db2.gz IUYFBTHUUUBIMP-UHFFFAOYSA-N 1 2 267.373 1.107 20 30 CDEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)N1CCOCC1 ZINC000071893015 390146619 /nfs/dbraw/zinc/14/66/19/390146619.db2.gz IUYFBTHUUUBIMP-UHFFFAOYSA-N 1 2 267.373 1.107 20 30 CDEDLO CCN1CCN(c2ccc(C)c(C#N)n2)C[C@H]1c1[nH]cc[nH+]1 ZINC000530480755 390162709 /nfs/dbraw/zinc/16/27/09/390162709.db2.gz PIJVKYGKASZGSQ-AWEZNQCLSA-N 1 2 296.378 1.868 20 30 CDEDLO C=CCN1CC[C@@H](N(C)Cc2cn3cc(C)ccc3[nH+]2)C1=O ZINC000281518998 195273191 /nfs/dbraw/zinc/27/31/91/195273191.db2.gz ZGCBZHWAGZDULC-OAHLLOKOSA-N 1 2 298.390 1.861 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cn3cc(C)ccc3n2)C1=O ZINC000281518998 195273194 /nfs/dbraw/zinc/27/31/94/195273194.db2.gz ZGCBZHWAGZDULC-OAHLLOKOSA-N 1 2 298.390 1.861 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cn3cc(C)ccc3n2)C1=O ZINC000281518998 195273196 /nfs/dbraw/zinc/27/31/96/195273196.db2.gz ZGCBZHWAGZDULC-OAHLLOKOSA-N 1 2 298.390 1.861 20 30 CDEDLO CCN1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433101975 390495834 /nfs/dbraw/zinc/49/58/34/390495834.db2.gz FRBMSUYTIQYPCD-CYBMUJFWSA-N 1 2 298.350 1.128 20 30 CDEDLO Cc1ccc(C(N)=[NH+]OCCCS(C)(=O)=O)cc1F ZINC000103136066 390472900 /nfs/dbraw/zinc/47/29/00/390472900.db2.gz RNAZTYZVFZMTQT-UHFFFAOYSA-N 1 2 288.344 1.206 20 30 CDEDLO COc1ccc(O)c(/C=[NH+]/CCCN2C(=O)CCC2=O)c1 ZINC000105935544 390523724 /nfs/dbraw/zinc/52/37/24/390523724.db2.gz AWFBRZQXPVTIFE-MHWRWJLKSA-N 1 2 290.319 1.359 20 30 CDEDLO C[C@@H](O[NH+]=C(N)CCO)c1nc(Cc2ccccc2)no1 ZINC000136067800 390940898 /nfs/dbraw/zinc/94/08/98/390940898.db2.gz HQFLEXWLFGUTBQ-SNVBAGLBSA-N 1 2 290.323 1.393 20 30 CDEDLO Cc1ccccc1CN(C)C(=O)[C@H](C)O[NH+]=C(N)CCO ZINC000121323651 390883564 /nfs/dbraw/zinc/88/35/64/390883564.db2.gz LKFCDRBLIANMMA-LBPRGKRZSA-N 1 2 293.367 1.013 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+](CCO)Cc1cccnc1 ZINC000157059850 533267988 /nfs/dbraw/zinc/26/79/88/533267988.db2.gz PYZNWNIGLJAAMO-UHFFFAOYSA-N 1 2 297.358 1.956 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+](CCO)Cc1cccnc1 ZINC000157059850 533267996 /nfs/dbraw/zinc/26/79/96/533267996.db2.gz PYZNWNIGLJAAMO-UHFFFAOYSA-N 1 2 297.358 1.956 20 30 CDEDLO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC(=O)NCC#N ZINC000351202696 391056884 /nfs/dbraw/zinc/05/68/84/391056884.db2.gz MXACPPAGXXBDGQ-YGRLFVJLSA-N 1 2 295.770 1.645 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000373462912 391120663 /nfs/dbraw/zinc/12/06/63/391120663.db2.gz UTHRMSIGTGODAZ-LBPRGKRZSA-N 1 2 268.357 1.235 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000373462912 391120666 /nfs/dbraw/zinc/12/06/66/391120666.db2.gz UTHRMSIGTGODAZ-LBPRGKRZSA-N 1 2 268.357 1.235 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@H](O)COc1ccc(C)cc1C ZINC000491475241 391141675 /nfs/dbraw/zinc/14/16/75/391141675.db2.gz VAOANTUNRZZELF-HOTGVXAUSA-N 1 2 289.375 1.377 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](O)COc1ccc(C)cc1C ZINC000491475241 391141679 /nfs/dbraw/zinc/14/16/79/391141679.db2.gz VAOANTUNRZZELF-HOTGVXAUSA-N 1 2 289.375 1.377 20 30 CDEDLO CC1CCN(C(=O)C[NH+]2CCC(F)(C#N)CC2)CC1 ZINC000352484738 391155641 /nfs/dbraw/zinc/15/56/41/391155641.db2.gz SRMQYOBFHXJHPE-UHFFFAOYSA-N 1 2 267.348 1.573 20 30 CDEDLO C=CCOCCCC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000345422379 391187209 /nfs/dbraw/zinc/18/72/09/391187209.db2.gz GBIDSULISCDVTD-AWEZNQCLSA-N 1 2 284.400 1.148 20 30 CDEDLO C#CCN(C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CCCC1 ZINC000366127598 391219793 /nfs/dbraw/zinc/21/97/93/391219793.db2.gz LPIBMONRPDMGJE-GFCCVEGCSA-N 1 2 286.379 1.854 20 30 CDEDLO C#CCN(C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CCCC1 ZINC000366127598 391219795 /nfs/dbraw/zinc/21/97/95/391219795.db2.gz LPIBMONRPDMGJE-GFCCVEGCSA-N 1 2 286.379 1.854 20 30 CDEDLO C=CCOCC[NH+]1CCN([C@H](C)C(F)(F)F)CC1 ZINC000339013607 391241653 /nfs/dbraw/zinc/24/16/53/391241653.db2.gz LVWIXAHLWUTCDP-LLVKDONJSA-N 1 2 266.307 1.757 20 30 CDEDLO CN(C)C(=O)CC[N@H+](CCC#N)Cc1ccccn1 ZINC000267464703 391196246 /nfs/dbraw/zinc/19/62/46/391196246.db2.gz ULLVACDDYUTGNH-UHFFFAOYSA-N 1 2 260.341 1.276 20 30 CDEDLO CN(C)C(=O)CC[N@@H+](CCC#N)Cc1ccccn1 ZINC000267464703 391196250 /nfs/dbraw/zinc/19/62/50/391196250.db2.gz ULLVACDDYUTGNH-UHFFFAOYSA-N 1 2 260.341 1.276 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CC)Cc1ccccn1 ZINC000268173206 391211224 /nfs/dbraw/zinc/21/12/24/391211224.db2.gz QZRRQSRHWSSFOA-CQSZACIVSA-N 1 2 288.395 1.912 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC)Cc1ccccn1 ZINC000268173206 391211227 /nfs/dbraw/zinc/21/12/27/391211227.db2.gz QZRRQSRHWSSFOA-CQSZACIVSA-N 1 2 288.395 1.912 20 30 CDEDLO C=CCOCCSc1[nH+]cnc2c1cnn2C ZINC000338540490 391211304 /nfs/dbraw/zinc/21/13/04/391211304.db2.gz NFUQCAZSRCUHQY-UHFFFAOYSA-N 1 2 250.327 1.658 20 30 CDEDLO C=CCC(CC=C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366475845 391324229 /nfs/dbraw/zinc/32/42/29/391324229.db2.gz VTNWKPAZBDNVTG-HNNXBMFYSA-N 1 2 278.396 1.688 20 30 CDEDLO C=CCCCCNC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000426233010 391339883 /nfs/dbraw/zinc/33/98/83/391339883.db2.gz YKHXUMIXLBTBLX-CQSZACIVSA-N 1 2 283.416 1.753 20 30 CDEDLO C=CCCCCNC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000426233010 391339885 /nfs/dbraw/zinc/33/98/85/391339885.db2.gz YKHXUMIXLBTBLX-CQSZACIVSA-N 1 2 283.416 1.753 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc[nH]2)CCC1 ZINC000346970499 391378268 /nfs/dbraw/zinc/37/82/68/391378268.db2.gz GKDQDGVSDAFIQD-ZDUSSCGKSA-N 1 2 272.352 1.714 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2c2ccc[nH]2)CCC1 ZINC000346970499 391378275 /nfs/dbraw/zinc/37/82/75/391378275.db2.gz GKDQDGVSDAFIQD-ZDUSSCGKSA-N 1 2 272.352 1.714 20 30 CDEDLO CC[C@@H](C(=O)N(C)[C@H](C)CC#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000330451476 391423657 /nfs/dbraw/zinc/42/36/57/391423657.db2.gz KGTWFQLLPNZNFQ-MCIONIFRSA-N 1 2 281.400 1.636 20 30 CDEDLO CC[C@@H](C(=O)N(C)[C@H](C)CC#N)[N@H+]1CCO[C@H](CC)C1 ZINC000330451476 391423662 /nfs/dbraw/zinc/42/36/62/391423662.db2.gz KGTWFQLLPNZNFQ-MCIONIFRSA-N 1 2 281.400 1.636 20 30 CDEDLO Cc1cccnc1/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000493618210 391450423 /nfs/dbraw/zinc/45/04/23/391450423.db2.gz PJBRRBUOWGRIRJ-ZPIQOJFGSA-N 1 2 272.352 1.363 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)Cc1[nH+]ccn1C ZINC000330598817 391452393 /nfs/dbraw/zinc/45/23/93/391452393.db2.gz WRDDMEWTJQPLRC-IUODEOHRSA-N 1 2 291.399 1.295 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000425812731 391538048 /nfs/dbraw/zinc/53/80/48/391538048.db2.gz MXMAIWBXBLYYRF-WDEREUQCSA-N 1 2 297.318 1.081 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1ccon1 ZINC000349244145 391539547 /nfs/dbraw/zinc/53/95/47/391539547.db2.gz QGYUFEVTGMOYDJ-GXFFZTMASA-N 1 2 264.329 1.380 20 30 CDEDLO C=CCN(CCC#N)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000359391970 391592704 /nfs/dbraw/zinc/59/27/04/391592704.db2.gz OYVAKVLXTQWVLG-GFCCVEGCSA-N 1 2 258.325 1.374 20 30 CDEDLO N#CCCCC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000360327169 391655341 /nfs/dbraw/zinc/65/53/41/391655341.db2.gz KCZRAHDBSMLBSH-CYBMUJFWSA-N 1 2 259.309 1.755 20 30 CDEDLO C=CCN1CC[C@@H](N(C)c2[nH]c3ccccc3[nH+]2)C1=O ZINC000281942597 391666230 /nfs/dbraw/zinc/66/62/30/391666230.db2.gz RTUZUSJMFBFWHM-CYBMUJFWSA-N 1 2 270.336 1.786 20 30 CDEDLO N#CCC1(CNc2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000362366763 391720622 /nfs/dbraw/zinc/72/06/22/391720622.db2.gz XDRFJCUCQYFDPF-UHFFFAOYSA-N 1 2 257.341 1.826 20 30 CDEDLO N#CCC1(CNc2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000362366763 391720623 /nfs/dbraw/zinc/72/06/23/391720623.db2.gz XDRFJCUCQYFDPF-UHFFFAOYSA-N 1 2 257.341 1.826 20 30 CDEDLO Cc1nnc(C[NH2+]C2(c3cccc(C#N)c3)CC2)n1C ZINC000341966519 130178980 /nfs/dbraw/zinc/17/89/80/130178980.db2.gz IWSUNVDCRASNSX-UHFFFAOYSA-N 1 2 267.336 1.774 20 30 CDEDLO CCOC[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329748161 391769148 /nfs/dbraw/zinc/76/91/48/391769148.db2.gz STFZIYVOVOINCG-VXGBXAGGSA-N 1 2 292.383 1.539 20 30 CDEDLO CCOC[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329748161 391769155 /nfs/dbraw/zinc/76/91/55/391769155.db2.gz STFZIYVOVOINCG-VXGBXAGGSA-N 1 2 292.383 1.539 20 30 CDEDLO C[C@H](CNC(=O)[C@@]1(C)CCC(=O)NC1)[NH+]1CCOCC1 ZINC000329846933 391788977 /nfs/dbraw/zinc/78/89/77/391788977.db2.gz QYCWPAGBZSRIAE-RISCZKNCSA-N 1 2 283.372 1.420 20 30 CDEDLO O=C(Nc1ccn2cc[nH+]c2c1)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000329782834 391778159 /nfs/dbraw/zinc/77/81/59/391778159.db2.gz OBPUKUMCLIIWRF-CYZMBNFOSA-N 1 2 286.335 1.583 20 30 CDEDLO O=C(NC[C@@H]1CC[C@H](O)C1)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000329929552 391801874 /nfs/dbraw/zinc/80/18/74/391801874.db2.gz NPBKCOSLENIFPY-AGIUHOORSA-N 1 2 292.383 1.425 20 30 CDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc(C#N)c3)C[C@H]21 ZINC000329961723 391807129 /nfs/dbraw/zinc/80/71/29/391807129.db2.gz SHNGBWPVGGBBMN-ZIAGYGMSSA-N 1 2 286.335 1.119 20 30 CDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc(C#N)c3)C[C@H]21 ZINC000329961723 391807134 /nfs/dbraw/zinc/80/71/34/391807134.db2.gz SHNGBWPVGGBBMN-ZIAGYGMSSA-N 1 2 286.335 1.119 20 30 CDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000265608344 131609364 /nfs/dbraw/zinc/60/93/64/131609364.db2.gz KUHQCUSRAZOOQF-UVARLRKDSA-N 1 2 292.404 1.778 20 30 CDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000265608344 131609365 /nfs/dbraw/zinc/60/93/65/131609365.db2.gz KUHQCUSRAZOOQF-UVARLRKDSA-N 1 2 292.404 1.778 20 30 CDEDLO C=C[C@H](O)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000646627629 392602196 /nfs/dbraw/zinc/60/21/96/392602196.db2.gz XZQWHGDVMWFIEY-QWHCGFSZSA-N 1 2 289.310 1.312 20 30 CDEDLO CC1(C)C[N@H+](CCNC(=O)c2ccc(C#N)s2)CCO1 ZINC000487698554 392789712 /nfs/dbraw/zinc/78/97/12/392789712.db2.gz USOUJANETSXWJP-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO CC1(C)C[N@@H+](CCNC(=O)c2ccc(C#N)s2)CCO1 ZINC000487698554 392789718 /nfs/dbraw/zinc/78/97/18/392789718.db2.gz USOUJANETSXWJP-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO Cn1c[nH+]c2c1CCN(Cc1cc(C#N)ccc1F)C2 ZINC000368690792 392940561 /nfs/dbraw/zinc/94/05/61/392940561.db2.gz XRKWMQKIIVSMOY-UHFFFAOYSA-N 1 2 270.311 1.989 20 30 CDEDLO Cc1cc(NCCCCCS(C)(=O)=O)c(C#N)c[nH+]1 ZINC000425241513 392998952 /nfs/dbraw/zinc/99/89/52/392998952.db2.gz NJRULYCZENMUMN-UHFFFAOYSA-N 1 2 281.381 1.310 20 30 CDEDLO CON1CCC(N(C)c2cc(C)[nH+]cc2C#N)CC1 ZINC000425266807 393010372 /nfs/dbraw/zinc/01/03/72/393010372.db2.gz JEGOLDOBOQZPAZ-UHFFFAOYSA-N 1 2 260.341 1.724 20 30 CDEDLO CC[C@@H]([NH2+]Cc1nnn(C)n1)c1ccc(C#N)cc1 ZINC000494372257 393232008 /nfs/dbraw/zinc/23/20/08/393232008.db2.gz BDEJTJGVFWPSSO-GFCCVEGCSA-N 1 2 256.313 1.323 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)c(C)c2)CCO1 ZINC000487888440 393296486 /nfs/dbraw/zinc/29/64/86/393296486.db2.gz LZJOBWIVOIXVPF-AWEZNQCLSA-N 1 2 274.320 1.241 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)c(C)c2)CCO1 ZINC000487888440 393296489 /nfs/dbraw/zinc/29/64/89/393296489.db2.gz LZJOBWIVOIXVPF-AWEZNQCLSA-N 1 2 274.320 1.241 20 30 CDEDLO C=CCn1cc(C(=O)NCC[NH+]2Cc3ccccc3C2)nn1 ZINC000648749385 393261228 /nfs/dbraw/zinc/26/12/28/393261228.db2.gz BJRDIKHFZRZITN-UHFFFAOYSA-N 1 2 297.362 1.210 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@]12CCOC2=O ZINC000186735881 140068183 /nfs/dbraw/zinc/06/81/83/140068183.db2.gz UPXSFJICKDAAQZ-INIZCTEOSA-N 1 2 286.331 1.848 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@]12CCOC2=O ZINC000186735881 140068184 /nfs/dbraw/zinc/06/81/84/140068184.db2.gz UPXSFJICKDAAQZ-INIZCTEOSA-N 1 2 286.331 1.848 20 30 CDEDLO C[C@H](O)C[N@@H+]1CCN(C(=O)c2sccc2C#N)[C@H](C)C1 ZINC000253204660 140332499 /nfs/dbraw/zinc/33/24/99/140332499.db2.gz NSNZLOHEKIBUGH-MNOVXSKESA-N 1 2 293.392 1.147 20 30 CDEDLO C[C@H](O)C[N@H+]1CCN(C(=O)c2sccc2C#N)[C@H](C)C1 ZINC000253204660 140332500 /nfs/dbraw/zinc/33/25/00/140332500.db2.gz NSNZLOHEKIBUGH-MNOVXSKESA-N 1 2 293.392 1.147 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094591782 147092479 /nfs/dbraw/zinc/09/24/79/147092479.db2.gz GHKICOVVOXKRGR-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000334229579 149372137 /nfs/dbraw/zinc/37/21/37/149372137.db2.gz QKWWCJXDUMGSNS-OAHLLOKOSA-N 1 2 294.358 1.976 20 30 CDEDLO Cn1c[nH+]cc1CS(=O)(=O)c1ccc(C#N)cc1F ZINC000343551933 152221504 /nfs/dbraw/zinc/22/15/04/152221504.db2.gz OBUPJKMGWHXXJD-UHFFFAOYSA-N 1 2 279.296 1.405 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cc1c(F)cccc1C#N ZINC000349870633 154249668 /nfs/dbraw/zinc/24/96/68/154249668.db2.gz BRSMQSGTMFGRJN-LLVKDONJSA-N 1 2 286.310 1.641 20 30 CDEDLO C[C@@H](CNC(=O)c1cnccc1C#N)Cn1cc[nH+]c1 ZINC000362817606 159244728 /nfs/dbraw/zinc/24/47/28/159244728.db2.gz MSHSVIQBTJGOJN-NSHDSACASA-N 1 2 269.308 1.216 20 30 CDEDLO CCOCC[C@H](O)C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000366780531 159390377 /nfs/dbraw/zinc/39/03/77/159390377.db2.gz UJQSPKYZGVDHQS-AWEZNQCLSA-N 1 2 290.363 1.409 20 30 CDEDLO Cc1sc(NC(=O)C[N@@H+]2CCCOCC2)c(C#N)c1C ZINC000372701497 160141529 /nfs/dbraw/zinc/14/15/29/160141529.db2.gz MLYBLPFPVOHOSQ-UHFFFAOYSA-N 1 2 293.392 1.897 20 30 CDEDLO Cc1sc(NC(=O)C[N@H+]2CCCOCC2)c(C#N)c1C ZINC000372701497 160141531 /nfs/dbraw/zinc/14/15/31/160141531.db2.gz MLYBLPFPVOHOSQ-UHFFFAOYSA-N 1 2 293.392 1.897 20 30 CDEDLO CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373565732 160211649 /nfs/dbraw/zinc/21/16/49/160211649.db2.gz FMIZPOZDVRYKTL-HNNXBMFYSA-N 1 2 294.358 1.976 20 30 CDEDLO C[C@@H](O)c1cn(C2C[NH+](Cc3ccc(C#N)cc3)C2)nn1 ZINC000374803886 160317526 /nfs/dbraw/zinc/31/75/26/160317526.db2.gz XSNGWOYPXGGJPF-LLVKDONJSA-N 1 2 283.335 1.260 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H]2CCCc3c2cnn3C)nn1 ZINC000657309713 414152922 /nfs/dbraw/zinc/15/29/22/414152922.db2.gz QWAKCKYXPZOLRA-CQSZACIVSA-N 1 2 286.383 1.755 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@H](C)C(=O)Nc2ccccc2)nn1 ZINC000657371295 414247715 /nfs/dbraw/zinc/24/77/15/414247715.db2.gz PXRIFHMVHALAMC-CYBMUJFWSA-N 1 2 299.378 1.971 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCOC(C)(C)C1 ZINC000076949228 177134589 /nfs/dbraw/zinc/13/45/89/177134589.db2.gz HRZDPXOSFZJGMJ-LBPRGKRZSA-N 1 2 267.373 1.105 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCOC(C)(C)C1 ZINC000076949228 177134590 /nfs/dbraw/zinc/13/45/90/177134590.db2.gz HRZDPXOSFZJGMJ-LBPRGKRZSA-N 1 2 267.373 1.105 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)Nc1nncn1C1CC1 ZINC000329130310 227315485 /nfs/dbraw/zinc/31/54/85/227315485.db2.gz WWJFJCVTLMNPSS-UHFFFAOYSA-N 1 2 260.301 1.567 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)CCC1(F)F ZINC000331890273 228135463 /nfs/dbraw/zinc/13/54/63/228135463.db2.gz RBHLUEAKJQPKEO-GXFFZTMASA-N 1 2 285.338 1.772 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CCC1(F)F ZINC000331890273 228135465 /nfs/dbraw/zinc/13/54/65/228135465.db2.gz RBHLUEAKJQPKEO-GXFFZTMASA-N 1 2 285.338 1.772 20 30 CDEDLO N#CCSCc1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000333754082 260058308 /nfs/dbraw/zinc/05/83/08/260058308.db2.gz UFQRCEQABRJPFN-WDEREUQCSA-N 1 2 294.380 1.752 20 30 CDEDLO N#CCSCc1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000333754082 260058309 /nfs/dbraw/zinc/05/83/09/260058309.db2.gz UFQRCEQABRJPFN-WDEREUQCSA-N 1 2 294.380 1.752 20 30 CDEDLO C=C[C@@H](CO)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000356857254 260113103 /nfs/dbraw/zinc/11/31/03/260113103.db2.gz GJXFIERPVFDELT-LBPRGKRZSA-N 1 2 257.293 1.149 20 30 CDEDLO Cc1cccc(CO[NH+]=C(N)CN2CCOCC2)c1 ZINC000078639932 260301585 /nfs/dbraw/zinc/30/15/85/260301585.db2.gz SCEFWPIKKPNNCC-UHFFFAOYSA-N 1 2 263.341 1.116 20 30 CDEDLO C[C@H](CC(C)(C)C#N)[NH2+]Cc1nc(-c2nn[nH]n2)cs1 ZINC001589796638 1173185445 /nfs/dbraw/zinc/18/54/45/1173185445.db2.gz XLRZIRGYODANKT-MRVPVSSYSA-N 1 2 291.384 1.741 20 30 CDEDLO CC1(C)CCCN(CC[NH+]2CCOCC2)[C@@H]1C#N ZINC000444719712 261127262 /nfs/dbraw/zinc/12/72/62/261127262.db2.gz RGMHQTDGFOCUKW-CYBMUJFWSA-N 1 2 251.374 1.333 20 30 CDEDLO C=C(C)CN(CC)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000105299808 261309832 /nfs/dbraw/zinc/30/98/32/261309832.db2.gz IYIODVYMSDFSSH-KGLIPLIRSA-N 1 2 283.416 1.703 20 30 CDEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000177395712 261353140 /nfs/dbraw/zinc/35/31/40/261353140.db2.gz XLBGZNDMBLRBEV-LLVKDONJSA-N 1 2 291.376 1.425 20 30 CDEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000177395712 261353141 /nfs/dbraw/zinc/35/31/41/261353141.db2.gz XLBGZNDMBLRBEV-LLVKDONJSA-N 1 2 291.376 1.425 20 30 CDEDLO N#CC1(CS(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000165951303 261380234 /nfs/dbraw/zinc/38/02/34/261380234.db2.gz ODDOKPWEEPAXKA-NSHDSACASA-N 1 2 294.380 1.223 20 30 CDEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](COC)c1ccc(C)o1 ZINC000184763393 262028654 /nfs/dbraw/zinc/02/86/54/262028654.db2.gz HDRQQDRRSPILFQ-CYBMUJFWSA-N 1 2 293.367 1.627 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)c1[nH]c(C)c(C(=O)OCC)c1C ZINC000491791887 262054528 /nfs/dbraw/zinc/05/45/28/262054528.db2.gz CJHPKBFMUPJPQI-JTQLQIEISA-N 1 2 290.363 1.944 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)c1[nH]c(C)c(C(=O)OCC)c1C ZINC000491791887 262054531 /nfs/dbraw/zinc/05/45/31/262054531.db2.gz CJHPKBFMUPJPQI-JTQLQIEISA-N 1 2 290.363 1.944 20 30 CDEDLO COc1cccc(C(N)=[NH+]OCCO[C@H]2CCCCO2)c1 ZINC000194717535 262241792 /nfs/dbraw/zinc/24/17/92/262241792.db2.gz KWDCFRPPXYLTBN-AWEZNQCLSA-N 1 2 294.351 1.875 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC)Cc1cnn(C)c1 ZINC000161129900 262310926 /nfs/dbraw/zinc/31/09/26/262310926.db2.gz WVTOBUAMQRZEPH-ZDUSSCGKSA-N 1 2 291.399 1.250 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC)Cc1cnn(C)c1 ZINC000161129900 262310928 /nfs/dbraw/zinc/31/09/28/262310928.db2.gz WVTOBUAMQRZEPH-ZDUSSCGKSA-N 1 2 291.399 1.250 20 30 CDEDLO C#CCCCC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000365485518 262366472 /nfs/dbraw/zinc/36/64/72/262366472.db2.gz VBEWVEHTGRJIGQ-UHFFFAOYSA-N 1 2 268.320 1.687 20 30 CDEDLO CC1(C#N)CC[NH+](CC(=O)NCc2cccs2)CC1 ZINC000272522308 263005628 /nfs/dbraw/zinc/00/56/28/263005628.db2.gz HMPXSBLACJAJLH-UHFFFAOYSA-N 1 2 277.393 1.990 20 30 CDEDLO CCN(C)C(=O)CO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000273407675 263016582 /nfs/dbraw/zinc/01/65/82/263016582.db2.gz BRZMWYAXSRLEGC-UHFFFAOYSA-N 1 2 283.759 1.650 20 30 CDEDLO C[C@@H](NC(=O)CO[NH+]=C(N)[C@H]1CCCO1)c1ccccc1 ZINC000284619351 263087647 /nfs/dbraw/zinc/08/76/47/263087647.db2.gz ZNUJVDDDLAJPPH-DGCLKSJQSA-N 1 2 291.351 1.332 20 30 CDEDLO CC(C)[C@H](NS(=O)(=O)CCCC#N)c1[nH]cc[nH+]1 ZINC000288907115 263106569 /nfs/dbraw/zinc/10/65/69/263106569.db2.gz KDXQBVVGDKAHLA-JTQLQIEISA-N 1 2 270.358 1.330 20 30 CDEDLO Cn1ncc(CO[NH+]=C(N)Cc2ccc(Cl)cc2)n1 ZINC000289342207 263109348 /nfs/dbraw/zinc/10/93/48/263109348.db2.gz GDGAFKZHYJXYAB-UHFFFAOYSA-N 1 2 279.731 1.500 20 30 CDEDLO C[N@H+](Cc1ncnn1CC(F)F)[C@H]1CC[C@@H](C#N)C1 ZINC000294287714 263159240 /nfs/dbraw/zinc/15/92/40/263159240.db2.gz WHWQRIWSKYRQJH-ZJUUUORDSA-N 1 2 269.299 1.667 20 30 CDEDLO C[N@@H+](Cc1ncnn1CC(F)F)[C@H]1CC[C@@H](C#N)C1 ZINC000294287714 263159241 /nfs/dbraw/zinc/15/92/41/263159241.db2.gz WHWQRIWSKYRQJH-ZJUUUORDSA-N 1 2 269.299 1.667 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000294652140 263165425 /nfs/dbraw/zinc/16/54/25/263165425.db2.gz YORHIWWULYKQIP-DOMZBBRYSA-N 1 2 272.352 1.862 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1sccc1C(=O)OCC ZINC000121441688 263295498 /nfs/dbraw/zinc/29/54/98/263295498.db2.gz DLJRSVAUGXIFNK-UHFFFAOYSA-N 1 2 282.365 1.981 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1sccc1C(=O)OCC ZINC000121441688 263295499 /nfs/dbraw/zinc/29/54/99/263295499.db2.gz DLJRSVAUGXIFNK-UHFFFAOYSA-N 1 2 282.365 1.981 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2cc(C)n(C)n2)CC1 ZINC000341992077 263382352 /nfs/dbraw/zinc/38/23/52/263382352.db2.gz MOLODOGNNYVKEZ-UHFFFAOYSA-N 1 2 262.357 1.481 20 30 CDEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCCCO1 ZINC000328692647 263844782 /nfs/dbraw/zinc/84/47/82/263844782.db2.gz JHGGUCOHWVIJHI-JTQLQIEISA-N 1 2 250.302 1.139 20 30 CDEDLO C[C@H](CN1CCCC1=O)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328959948 263908792 /nfs/dbraw/zinc/90/87/92/263908792.db2.gz PFGTUOUUGHJNMN-VXGBXAGGSA-N 1 2 290.367 1.413 20 30 CDEDLO CC(C)(CO)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000330721550 264024730 /nfs/dbraw/zinc/02/47/30/264024730.db2.gz BZBRSOIRRKXVKY-UHFFFAOYSA-N 1 2 292.379 1.594 20 30 CDEDLO CC(C)[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CCO1 ZINC000330735542 264037457 /nfs/dbraw/zinc/03/74/57/264037457.db2.gz LPXOBJMEOFOBPA-IJEWVQPXSA-N 1 2 295.427 1.786 20 30 CDEDLO CC(C)[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CCO1 ZINC000330735542 264037458 /nfs/dbraw/zinc/03/74/58/264037458.db2.gz LPXOBJMEOFOBPA-IJEWVQPXSA-N 1 2 295.427 1.786 20 30 CDEDLO CN(C)c1ccc(CNC(=O)NC[C@@H](O)C(C)(C)C)c[nH+]1 ZINC000330830363 264049637 /nfs/dbraw/zinc/04/96/37/264049637.db2.gz RXHIPWXQQPQTEZ-GFCCVEGCSA-N 1 2 294.399 1.558 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cn(C(C)(C)C)nn1 ZINC000331083033 264117294 /nfs/dbraw/zinc/11/72/94/264117294.db2.gz PDKCYABJFABSBV-JTQLQIEISA-N 1 2 276.344 1.623 20 30 CDEDLO CCc1nc(C(C)(C)NC(=O)c2c[nH+]c(C)[nH]2)no1 ZINC000331278235 264171377 /nfs/dbraw/zinc/17/13/77/264171377.db2.gz GPGCQNRQUDDCQS-UHFFFAOYSA-N 1 2 263.301 1.903 20 30 CDEDLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)C1=CCCCC1 ZINC000331250703 264181180 /nfs/dbraw/zinc/18/11/80/264181180.db2.gz ZTFFCSGLLXOGBJ-CYBMUJFWSA-N 1 2 268.357 1.136 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000424880319 264265723 /nfs/dbraw/zinc/26/57/23/264265723.db2.gz WSPKCHHFNUYSDU-BETUJISGSA-N 1 2 266.385 1.568 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000424880319 264265725 /nfs/dbraw/zinc/26/57/25/264265725.db2.gz WSPKCHHFNUYSDU-BETUJISGSA-N 1 2 266.385 1.568 20 30 CDEDLO C=CCCn1cc(C[N@H+](CC)C[C@H]2CCCO2)nn1 ZINC000653525569 424242693 /nfs/dbraw/zinc/24/26/93/424242693.db2.gz YVVWSIQPGKFINO-CQSZACIVSA-N 1 2 264.373 1.855 20 30 CDEDLO C=CCCn1cc(C[N@@H+](CC)C[C@H]2CCCO2)nn1 ZINC000653525569 424242696 /nfs/dbraw/zinc/24/26/96/424242696.db2.gz YVVWSIQPGKFINO-CQSZACIVSA-N 1 2 264.373 1.855 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H](CCO)c2ccco2)nn1 ZINC000653618781 424347560 /nfs/dbraw/zinc/34/75/60/424347560.db2.gz XNGZRCWNOHWHIA-ZDUSSCGKSA-N 1 2 276.340 1.661 20 30 CDEDLO C=C[C@](C)(O)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000665479944 424603890 /nfs/dbraw/zinc/60/38/90/424603890.db2.gz JOOJMUVWFCTTPZ-HNNXBMFYSA-N 1 2 273.336 1.398 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1C ZINC000356752048 266168122 /nfs/dbraw/zinc/16/81/22/266168122.db2.gz OOUCSRJRJBJDEH-RRFJBIMHSA-N 1 2 296.411 1.289 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C ZINC000356751569 266169036 /nfs/dbraw/zinc/16/90/36/266169036.db2.gz LXJIBCLWODQYNR-KCQAQPDRSA-N 1 2 279.384 1.248 20 30 CDEDLO C=C(C)C[N@@H+](CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C ZINC000357809097 266369832 /nfs/dbraw/zinc/36/98/32/266369832.db2.gz QQTZQNPHZRLEFV-LBPRGKRZSA-N 1 2 284.400 1.731 20 30 CDEDLO C=C(C)C[N@H+](CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C ZINC000357809097 266369836 /nfs/dbraw/zinc/36/98/36/266369836.db2.gz QQTZQNPHZRLEFV-LBPRGKRZSA-N 1 2 284.400 1.731 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H]1CCCC1(C)C)C(=O)OC ZINC000361105451 266784355 /nfs/dbraw/zinc/78/43/55/266784355.db2.gz BSYSIMJLYALJTP-NWDGAFQWSA-N 1 2 255.358 1.899 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@H](C(N)=O)C1 ZINC000187442501 267022438 /nfs/dbraw/zinc/02/24/38/267022438.db2.gz KIODBBGCAGMSMJ-YGRLFVJLSA-N 1 2 275.327 1.783 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@H](C(N)=O)C1 ZINC000187442501 267022442 /nfs/dbraw/zinc/02/24/42/267022442.db2.gz KIODBBGCAGMSMJ-YGRLFVJLSA-N 1 2 275.327 1.783 20 30 CDEDLO N#CCSCC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000363325515 267087609 /nfs/dbraw/zinc/08/76/09/267087609.db2.gz GDQOEQLKLRWYPK-UHFFFAOYSA-N 1 2 278.381 1.135 20 30 CDEDLO C=C(Cl)CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000369488756 267246056 /nfs/dbraw/zinc/24/60/56/267246056.db2.gz YBPRPFWPEXZVEZ-UHFFFAOYSA-N 1 2 282.775 1.814 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000370308045 267307829 /nfs/dbraw/zinc/30/78/29/267307829.db2.gz LKHUUVYDZWULIG-AWEZNQCLSA-N 1 2 296.374 1.077 20 30 CDEDLO N#CCCN(CC1CC1)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000377101122 268047317 /nfs/dbraw/zinc/04/73/17/268047317.db2.gz FDQSNJNNPRSKEQ-GFCCVEGCSA-N 1 2 272.352 1.982 20 30 CDEDLO N#Cc1csc(C(=O)N2CC[NH+](C3CCC3)CC2)c1 ZINC000267758393 279546627 /nfs/dbraw/zinc/54/66/27/279546627.db2.gz QRPRQUTYHAWXRC-UHFFFAOYSA-N 1 2 275.377 1.930 20 30 CDEDLO N#Cc1c(F)cccc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548317391 289868985 /nfs/dbraw/zinc/86/89/85/289868985.db2.gz FOHNEFPDFXVJPO-JTQLQIEISA-N 1 2 284.294 1.639 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000353118272 290246943 /nfs/dbraw/zinc/24/69/43/290246943.db2.gz LKPSJPZDGKTSFZ-KCPJHIHWSA-N 1 2 290.388 1.738 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000353118272 290246946 /nfs/dbraw/zinc/24/69/46/290246946.db2.gz LKPSJPZDGKTSFZ-KCPJHIHWSA-N 1 2 290.388 1.738 20 30 CDEDLO Cc1nc([C@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)no1 ZINC000558459708 290396808 /nfs/dbraw/zinc/39/68/08/290396808.db2.gz OOIDZTFNVUFCDK-QMMMGPOBSA-N 1 2 289.343 1.011 20 30 CDEDLO Cc1nc([C@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2C#N)no1 ZINC000558459708 290396810 /nfs/dbraw/zinc/39/68/10/290396810.db2.gz OOIDZTFNVUFCDK-QMMMGPOBSA-N 1 2 289.343 1.011 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1ncc(C#N)cc1C ZINC000560134513 290474012 /nfs/dbraw/zinc/47/40/12/290474012.db2.gz AUYYXSZKYVUJJL-UHFFFAOYSA-N 1 2 255.281 1.223 20 30 CDEDLO C[C@H]1CC[N@H+](C[C@H]2CNc3c(C#N)cnn3C2)CC1(F)F ZINC000563150625 293291331 /nfs/dbraw/zinc/29/13/31/293291331.db2.gz NUKPQTBSEOUSQM-WDEREUQCSA-N 1 2 295.337 1.774 20 30 CDEDLO C[C@H]1CC[N@@H+](C[C@H]2CNc3c(C#N)cnn3C2)CC1(F)F ZINC000563150625 293291332 /nfs/dbraw/zinc/29/13/32/293291332.db2.gz NUKPQTBSEOUSQM-WDEREUQCSA-N 1 2 295.337 1.774 20 30 CDEDLO Cc1cc(F)ccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000580270319 327753740 /nfs/dbraw/zinc/75/37/40/327753740.db2.gz HOFFCZGBDDIUAR-CQSZACIVSA-N 1 2 263.316 1.708 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000571049874 327986186 /nfs/dbraw/zinc/98/61/86/327986186.db2.gz LWRUEIPCDPPLMB-CQSZACIVSA-N 1 2 290.323 1.097 20 30 CDEDLO Cc1nc([C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)n[nH]1 ZINC000576954784 317238580 /nfs/dbraw/zinc/23/85/80/317238580.db2.gz UXZDWEWINDRZPY-CQSZACIVSA-N 1 2 267.336 1.974 20 30 CDEDLO Cc1nc([C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)n[nH]1 ZINC000576954784 317238583 /nfs/dbraw/zinc/23/85/83/317238583.db2.gz UXZDWEWINDRZPY-CQSZACIVSA-N 1 2 267.336 1.974 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000577290024 317302972 /nfs/dbraw/zinc/30/29/72/317302972.db2.gz AMOWPCQMDZOQAW-AWEZNQCLSA-N 1 2 293.392 1.352 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000577290024 317302977 /nfs/dbraw/zinc/30/29/77/317302977.db2.gz AMOWPCQMDZOQAW-AWEZNQCLSA-N 1 2 293.392 1.352 20 30 CDEDLO Cc1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)cn1 ZINC000577332955 317306954 /nfs/dbraw/zinc/30/69/54/317306954.db2.gz REGWWONDPUTWPW-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO Oc1ccc(/C=[NH+]/CCCO[C@@H]2CCOC2)c(O)c1O ZINC000268113928 328182632 /nfs/dbraw/zinc/18/26/32/328182632.db2.gz RMZBARUQOCQWHX-OXFWXOROSA-N 1 2 281.308 1.418 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1C/[NH+]=C/c1c(CO)cnc(C)c1O ZINC000281479508 328239682 /nfs/dbraw/zinc/23/96/82/328239682.db2.gz DBYHUEWNSJLHJU-WINRBWFHSA-N 1 2 290.363 1.988 20 30 CDEDLO CCc1noc([C@H](C)O[NH+]=C(N)[C@@H]2CCCO2)n1 ZINC000284614989 328246489 /nfs/dbraw/zinc/24/64/89/328246489.db2.gz ZFROOWUVLDPKQN-YUMQZZPRSA-N 1 2 254.290 1.161 20 30 CDEDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cn2)CC1 ZINC000583212887 325130901 /nfs/dbraw/zinc/13/09/01/325130901.db2.gz WQEAUFVQNCPCHY-CQSZACIVSA-N 1 2 293.392 1.352 20 30 CDEDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)CC1 ZINC000583212887 325130904 /nfs/dbraw/zinc/13/09/04/325130904.db2.gz WQEAUFVQNCPCHY-CQSZACIVSA-N 1 2 293.392 1.352 20 30 CDEDLO CC[N@H+](C1COC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000583853238 325252399 /nfs/dbraw/zinc/25/23/99/325252399.db2.gz IFRKCKGENWIESJ-INIZCTEOSA-N 1 2 299.374 1.774 20 30 CDEDLO CC[N@@H+](C1COC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000583853238 325252400 /nfs/dbraw/zinc/25/24/00/325252400.db2.gz IFRKCKGENWIESJ-INIZCTEOSA-N 1 2 299.374 1.774 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1COc2ccccc2C1 ZINC000584207698 327066781 /nfs/dbraw/zinc/06/67/81/327066781.db2.gz ZBAWPICXSWDJAZ-CZUORRHYSA-N 1 2 287.363 1.198 20 30 CDEDLO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](C#N)CCC#N)cc1 ZINC000558506725 327099693 /nfs/dbraw/zinc/09/96/93/327099693.db2.gz KJDFVIPJZVKLNL-ZDUSSCGKSA-N 1 2 291.376 1.623 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000564464622 327148980 /nfs/dbraw/zinc/14/89/80/327148980.db2.gz XLLUZRMRNKMAPA-MNOVXSKESA-N 1 2 263.341 1.661 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(Cl)s1 ZINC000562322795 327470319 /nfs/dbraw/zinc/47/03/19/327470319.db2.gz NJAFCBJLCXTBCN-LLVKDONJSA-N 1 2 271.773 1.975 20 30 CDEDLO N#CC1CC[NH+](Cc2cnc(N3CCCC3)nc2)CC1 ZINC000535818671 328639786 /nfs/dbraw/zinc/63/97/86/328639786.db2.gz LRZKREWULONRLO-UHFFFAOYSA-N 1 2 271.368 1.812 20 30 CDEDLO N#CCc1ccnc(NC(=O)Cc2cn3ccccc3[nH+]2)c1 ZINC000532434843 328777602 /nfs/dbraw/zinc/77/76/02/328777602.db2.gz FFQSWEYQKQQGTQ-UHFFFAOYSA-N 1 2 291.314 1.977 20 30 CDEDLO C#CCC(C)(C)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000375121604 329000769 /nfs/dbraw/zinc/00/07/69/329000769.db2.gz SQKVFZJUYCDHKK-LBPRGKRZSA-N 1 2 259.353 1.786 20 30 CDEDLO CC[C@@H](CC#N)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000183948285 329255051 /nfs/dbraw/zinc/25/50/51/329255051.db2.gz HHETZBPSTQXMPN-NSHDSACASA-N 1 2 256.309 1.685 20 30 CDEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000583029057 329304582 /nfs/dbraw/zinc/30/45/82/329304582.db2.gz ZNVVEURVJGPQCM-BZPMIXESSA-N 1 2 251.374 1.629 20 30 CDEDLO C=CCC[C@@H]1NC(=O)N(CCc2cn3ccccc3[nH+]2)C1=O ZINC000419925006 329749126 /nfs/dbraw/zinc/74/91/26/329749126.db2.gz NRRPTEQBDZEETF-ZDUSSCGKSA-N 1 2 298.346 1.763 20 30 CDEDLO C=CCn1cc(C[NH2+][C@H](C)c2cnc(C)nc2C)nn1 ZINC000424293615 330335519 /nfs/dbraw/zinc/33/55/19/330335519.db2.gz IWZAGPARCGKNEP-SNVBAGLBSA-N 1 2 272.356 1.722 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000426354791 330505403 /nfs/dbraw/zinc/50/54/03/330505403.db2.gz VVZBYJDXSVBXOK-AWEZNQCLSA-N 1 2 293.411 1.601 20 30 CDEDLO C=CCCCS(=O)(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000451949281 331048039 /nfs/dbraw/zinc/04/80/39/331048039.db2.gz XCVWNUADJMHHDD-GHMZBOCLSA-N 1 2 269.370 1.775 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000452918435 331080453 /nfs/dbraw/zinc/08/04/53/331080453.db2.gz BSJNMXHMQBRDMN-OAGGEKHMSA-N 1 2 286.375 1.721 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000452918435 331080454 /nfs/dbraw/zinc/08/04/54/331080454.db2.gz BSJNMXHMQBRDMN-OAGGEKHMSA-N 1 2 286.375 1.721 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)NCCCNc1cccc[nH+]1 ZINC000457776956 331234143 /nfs/dbraw/zinc/23/41/43/331234143.db2.gz MZIPHKDAQQNQEB-CYBMUJFWSA-N 1 2 292.383 1.510 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000458560662 331253096 /nfs/dbraw/zinc/25/30/96/331253096.db2.gz JIRSNQAVBSIREC-ZDUSSCGKSA-N 1 2 288.351 1.461 20 30 CDEDLO C=CC(C)(C)CNC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000458984954 331263927 /nfs/dbraw/zinc/26/39/27/331263927.db2.gz HJVQOSZTWIJRTD-CYBMUJFWSA-N 1 2 283.416 1.609 20 30 CDEDLO C=CC(C)(C)CNC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000458984954 331263928 /nfs/dbraw/zinc/26/39/28/331263928.db2.gz HJVQOSZTWIJRTD-CYBMUJFWSA-N 1 2 283.416 1.609 20 30 CDEDLO C#CCN(CC#CC)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000490925104 332129851 /nfs/dbraw/zinc/12/98/51/332129851.db2.gz UKMVONYTIZVMBB-UHFFFAOYSA-N 1 2 294.358 1.811 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](O)[C@H](C)c1ccccc1 ZINC000491338119 332192291 /nfs/dbraw/zinc/19/22/91/332192291.db2.gz GGBLASPKRNRRQY-FVQBIDKESA-N 1 2 259.349 1.485 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](O)[C@H](C)c1ccccc1 ZINC000491338119 332192293 /nfs/dbraw/zinc/19/22/93/332192293.db2.gz GGBLASPKRNRRQY-FVQBIDKESA-N 1 2 259.349 1.485 20 30 CDEDLO C#C[C@@H](CC)NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000491385352 332202052 /nfs/dbraw/zinc/20/20/52/332202052.db2.gz RCTTZERJVWLXCR-HNNXBMFYSA-N 1 2 286.379 1.321 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)CC2(CCC(C)CC2)C1=O ZINC000491439810 332211883 /nfs/dbraw/zinc/21/18/83/332211883.db2.gz LYLJYCYNVPJBBM-MFOWVQHXSA-N 1 2 276.380 1.853 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)CC2(CCC(C)CC2)C1=O ZINC000491439810 332211884 /nfs/dbraw/zinc/21/18/84/332211884.db2.gz LYLJYCYNVPJBBM-MFOWVQHXSA-N 1 2 276.380 1.853 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000491566413 332239062 /nfs/dbraw/zinc/23/90/62/332239062.db2.gz GCKLTDOLPLQFLC-DOTOQJQBSA-N 1 2 298.386 1.483 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000491566413 332239063 /nfs/dbraw/zinc/23/90/63/332239063.db2.gz GCKLTDOLPLQFLC-DOTOQJQBSA-N 1 2 298.386 1.483 20 30 CDEDLO C#CCN(CC#CC)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000491658307 332269411 /nfs/dbraw/zinc/26/94/11/332269411.db2.gz HJWGEYBACROBTI-QWHCGFSZSA-N 1 2 270.336 1.557 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2C2CC2)CC1 ZINC000491667860 332275778 /nfs/dbraw/zinc/27/57/78/332275778.db2.gz XVNVEEWNXJGILK-ZDUSSCGKSA-N 1 2 287.411 1.882 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1cc(C(C)(C)C)nn1C)C1CC1 ZINC000491703349 332297293 /nfs/dbraw/zinc/29/72/93/332297293.db2.gz ARSHJXFWTZXQCS-UHFFFAOYSA-N 1 2 288.395 1.754 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1cc(C(C)(C)C)nn1C)C1CC1 ZINC000491703349 332297294 /nfs/dbraw/zinc/29/72/94/332297294.db2.gz ARSHJXFWTZXQCS-UHFFFAOYSA-N 1 2 288.395 1.754 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1CCN(C(=O)OC(C)(C)C)C1=O ZINC000491713311 332304339 /nfs/dbraw/zinc/30/43/39/332304339.db2.gz JJXUSJCTJWQYFI-LLVKDONJSA-N 1 2 281.356 1.570 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1CCN(C(=O)OC(C)(C)C)C1=O ZINC000491713311 332304340 /nfs/dbraw/zinc/30/43/40/332304340.db2.gz JJXUSJCTJWQYFI-LLVKDONJSA-N 1 2 281.356 1.570 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1cscn1 ZINC000493313960 332435059 /nfs/dbraw/zinc/43/50/59/332435059.db2.gz CLAZYUMALSRITA-ZYOFXKKJSA-N 1 2 264.354 1.116 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000494727459 332484615 /nfs/dbraw/zinc/48/46/15/332484615.db2.gz INSKLSNCTUTRRQ-KGLIPLIRSA-N 1 2 281.400 1.457 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1c(F)cccc1Cl ZINC000575852527 333185417 /nfs/dbraw/zinc/18/54/17/333185417.db2.gz SDANNXGKWUXOKC-CQSZACIVSA-N 1 2 297.761 1.982 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(F)cc2F)CC1 ZINC000195335228 333250440 /nfs/dbraw/zinc/25/04/40/333250440.db2.gz RRIQXNDMCGFINQ-UHFFFAOYSA-N 1 2 294.301 1.121 20 30 CDEDLO CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cnn(C)c1 ZINC000195518658 333254608 /nfs/dbraw/zinc/25/46/08/333254608.db2.gz AZWMOZGGYYWFGE-HNNXBMFYSA-N 1 2 289.383 1.050 20 30 CDEDLO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cnn(C)c1 ZINC000195518658 333254609 /nfs/dbraw/zinc/25/46/09/333254609.db2.gz AZWMOZGGYYWFGE-HNNXBMFYSA-N 1 2 289.383 1.050 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000076023076 334067530 /nfs/dbraw/zinc/06/75/30/334067530.db2.gz CQDIOWWOFQPIFA-UHFFFAOYSA-N 1 2 276.767 1.660 20 30 CDEDLO N#CCCN(CC1CC1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000553498798 334388730 /nfs/dbraw/zinc/38/87/30/334388730.db2.gz TVDBTMPZTQTEFT-CYBMUJFWSA-N 1 2 272.352 1.598 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)C1CCCCCC1 ZINC001754475676 1159226151 /nfs/dbraw/zinc/22/61/51/1159226151.db2.gz SAMCNMSUZFDQSC-MRXNPFEDSA-N 1 2 292.423 1.797 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)C1CCCCCC1 ZINC001754475676 1159226155 /nfs/dbraw/zinc/22/61/55/1159226155.db2.gz SAMCNMSUZFDQSC-MRXNPFEDSA-N 1 2 292.423 1.797 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000565372672 334557664 /nfs/dbraw/zinc/55/76/64/334557664.db2.gz XVDKSJUEQRVKBA-ZDUSSCGKSA-N 1 2 295.408 1.719 20 30 CDEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cncnc2C)nn1 ZINC000567123563 334683162 /nfs/dbraw/zinc/68/31/62/334683162.db2.gz MGUXAUWBRGTIBO-JTQLQIEISA-N 1 2 258.329 1.413 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000576527017 335215243 /nfs/dbraw/zinc/21/52/43/335215243.db2.gz NEBJTEMZTKPNGE-GFCCVEGCSA-N 1 2 289.335 1.694 20 30 CDEDLO C=CCN(CCc1ccco1)C(=O)Cc1c[nH+]cn1C ZINC000578869015 335682852 /nfs/dbraw/zinc/68/28/52/335682852.db2.gz RVSCUIRFFMIELO-UHFFFAOYSA-N 1 2 273.336 1.813 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1c[nH]c(C#N)c1 ZINC000181166806 335753670 /nfs/dbraw/zinc/75/36/70/335753670.db2.gz VVIZKGOUUNPVNU-UHFFFAOYSA-N 1 2 293.330 1.975 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC2(C)CC2)C1 ZINC001267628555 1159550633 /nfs/dbraw/zinc/55/06/33/1159550633.db2.gz AEARTPJSEYKMLM-ZDUSSCGKSA-N 1 2 293.411 1.059 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC2(C)CC2)C1 ZINC001267628555 1159550635 /nfs/dbraw/zinc/55/06/35/1159550635.db2.gz AEARTPJSEYKMLM-ZDUSSCGKSA-N 1 2 293.411 1.059 20 30 CDEDLO C=C(C)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000679242887 483312252 /nfs/dbraw/zinc/31/22/52/483312252.db2.gz BDKWCACBGDEHSX-UHFFFAOYSA-N 1 2 257.297 1.310 20 30 CDEDLO C=CCCC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1nc(CC)no1 ZINC001752864364 1160776245 /nfs/dbraw/zinc/77/62/45/1160776245.db2.gz PVZUWXCLHAOVGD-MNOVXSKESA-N 1 2 280.372 1.754 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnn(C)c1CC ZINC001409570566 1160853977 /nfs/dbraw/zinc/85/39/77/1160853977.db2.gz VGBOIDCCYWVMIS-NSHDSACASA-N 1 2 298.818 1.785 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnn(C)c1CC ZINC001409570566 1160853994 /nfs/dbraw/zinc/85/39/94/1160853994.db2.gz VGBOIDCCYWVMIS-NSHDSACASA-N 1 2 298.818 1.785 20 30 CDEDLO C=CCCC(=O)NC[C@]1(C)C[N@H+](CC=C)CCO1 ZINC001107799408 1161324314 /nfs/dbraw/zinc/32/43/14/1161324314.db2.gz DRTSZTVQYZCQAY-CQSZACIVSA-N 1 2 252.358 1.346 20 30 CDEDLO C=CCCC(=O)NC[C@]1(C)C[N@@H+](CC=C)CCO1 ZINC001107799408 1161324319 /nfs/dbraw/zinc/32/43/19/1161324319.db2.gz DRTSZTVQYZCQAY-CQSZACIVSA-N 1 2 252.358 1.346 20 30 CDEDLO O=C(Nc1nncn1C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329123379 534334104 /nfs/dbraw/zinc/33/41/04/534334104.db2.gz RSHWSDBQKGIVFK-VIFPVBQESA-N 1 2 272.312 1.660 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2occc2CC)CC1 ZINC001113303052 1162149201 /nfs/dbraw/zinc/14/92/01/1162149201.db2.gz JJAIQKRNFFHRHS-UHFFFAOYSA-N 1 2 292.379 1.802 20 30 CDEDLO CC#CCCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000184889717 519332660 /nfs/dbraw/zinc/33/26/60/519332660.db2.gz YUYFVPNQWBNKRN-UHFFFAOYSA-N 1 2 271.364 1.924 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000277501904 522035869 /nfs/dbraw/zinc/03/58/69/522035869.db2.gz PLOCYLRTCLNJHF-YUNKPMOVSA-N 1 2 292.404 1.767 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000277501904 522035879 /nfs/dbraw/zinc/03/58/79/522035879.db2.gz PLOCYLRTCLNJHF-YUNKPMOVSA-N 1 2 292.404 1.767 20 30 CDEDLO C[C@H](CNC(=O)c1cc(C#N)cs1)Cn1cc[nH+]c1 ZINC000084301439 524457138 /nfs/dbraw/zinc/45/71/38/524457138.db2.gz VUPHAXMGKQUUCF-SNVBAGLBSA-N 1 2 274.349 1.882 20 30 CDEDLO C=C(C)C[N@@H+](CC(=O)NC(C)C)Cc1ccc(CO)o1 ZINC000352798965 526510453 /nfs/dbraw/zinc/51/04/53/526510453.db2.gz LGONPQZGKXNMNY-UHFFFAOYSA-N 1 2 280.368 1.675 20 30 CDEDLO C=C(C)C[N@H+](CC(=O)NC(C)C)Cc1ccc(CO)o1 ZINC000352798965 526510458 /nfs/dbraw/zinc/51/04/58/526510458.db2.gz LGONPQZGKXNMNY-UHFFFAOYSA-N 1 2 280.368 1.675 20 30 CDEDLO C=CCOCC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000354894111 526686160 /nfs/dbraw/zinc/68/61/60/526686160.db2.gz ZQOSZEFVEHCJLT-UHFFFAOYSA-N 1 2 291.273 1.606 20 30 CDEDLO C=CCOCC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000354579173 526725918 /nfs/dbraw/zinc/72/59/18/526725918.db2.gz OKGQJYYMOQKAOY-UHFFFAOYSA-N 1 2 290.363 1.660 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000332149564 526778612 /nfs/dbraw/zinc/77/86/12/526778612.db2.gz MUWUCRFAGHDGDQ-NFAWXSAZSA-N 1 2 289.379 1.543 20 30 CDEDLO C=CCN(C)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000355917368 527568230 /nfs/dbraw/zinc/56/82/30/527568230.db2.gz HTRFORURMFFPAK-ZDUSSCGKSA-N 1 2 292.383 1.128 20 30 CDEDLO C=CCN(C)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000355917368 527568238 /nfs/dbraw/zinc/56/82/38/527568238.db2.gz HTRFORURMFFPAK-ZDUSSCGKSA-N 1 2 292.383 1.128 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347285526 527608979 /nfs/dbraw/zinc/60/89/79/527608979.db2.gz FJDJRCKHFQNJRL-CQSZACIVSA-N 1 2 266.385 1.570 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000334710143 529347752 /nfs/dbraw/zinc/34/77/52/529347752.db2.gz HCQVGAHCAJGTMD-SMDDNHRTSA-N 1 2 260.341 1.676 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2OC)C[C@@H](C)O1 ZINC000251632998 536785040 /nfs/dbraw/zinc/78/50/40/536785040.db2.gz GYJDUKSZUGJNCL-DOMZBBRYSA-N 1 2 290.363 1.803 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2OC)C[C@@H](C)O1 ZINC000251632998 536785049 /nfs/dbraw/zinc/78/50/49/536785049.db2.gz GYJDUKSZUGJNCL-DOMZBBRYSA-N 1 2 290.363 1.803 20 30 CDEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCc1cccc(OC)n1 ZINC000329386406 538564118 /nfs/dbraw/zinc/56/41/18/538564118.db2.gz PREVABIGUJGMDX-CYBMUJFWSA-N 1 2 293.367 1.310 20 30 CDEDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCc1cccc(OC)n1 ZINC000329386406 538564122 /nfs/dbraw/zinc/56/41/22/538564122.db2.gz PREVABIGUJGMDX-CYBMUJFWSA-N 1 2 293.367 1.310 20 30 CDEDLO C[C@H]([NH2+]C1CCN(CC#N)CC1)C(=O)OC(C)(C)C ZINC000738423915 574579751 /nfs/dbraw/zinc/57/97/51/574579751.db2.gz HMJNJGCHBJGYNT-NSHDSACASA-N 1 2 267.373 1.294 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(C)ccc2OC)CC1 ZINC000727353300 574580288 /nfs/dbraw/zinc/58/02/88/574580288.db2.gz FREHZKRGOUBWQC-UHFFFAOYSA-N 1 2 258.365 1.754 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1scnc1C ZINC000730284829 574910329 /nfs/dbraw/zinc/91/03/29/574910329.db2.gz DZVSJCQZDKBVFP-NSHDSACASA-N 1 2 263.366 1.165 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1scnc1C ZINC000730284829 574910331 /nfs/dbraw/zinc/91/03/31/574910331.db2.gz DZVSJCQZDKBVFP-NSHDSACASA-N 1 2 263.366 1.165 20 30 CDEDLO C#Cc1ccc(C(=O)Nc2cc[nH+]cc2CC)nc1 ZINC000733983126 575151938 /nfs/dbraw/zinc/15/19/38/575151938.db2.gz YIZBLLOEPBQPKB-UHFFFAOYSA-N 1 2 251.289 1.695 20 30 CDEDLO C=CCCC(=O)COC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000767108308 576160848 /nfs/dbraw/zinc/16/08/48/576160848.db2.gz BOHOBDHJGPLTIL-LLVKDONJSA-N 1 2 271.382 1.502 20 30 CDEDLO C#C[C@H]([NH2+]Cc1nncn1-c1ccccc1)[C@@H]1CCCO1 ZINC000769787807 575383868 /nfs/dbraw/zinc/38/38/68/575383868.db2.gz BDPOXTWYLPKMEY-GJZGRUSLSA-N 1 2 282.347 1.538 20 30 CDEDLO C=CCNc1ncc(C(=O)NCCn2cc[nH+]c2)s1 ZINC000770990098 575525724 /nfs/dbraw/zinc/52/57/24/575525724.db2.gz BEPMXCVZGAOTQO-UHFFFAOYSA-N 1 2 277.353 1.368 20 30 CDEDLO COc1ccc(C(N)=[NH+]O[C@H](C)c2nc(C)no2)cc1 ZINC000736299463 575615399 /nfs/dbraw/zinc/61/53/99/575615399.db2.gz NTBCSYOLMDLFHT-MRVPVSSYSA-N 1 2 276.296 1.785 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccc[nH]2)CC1 ZINC000772115049 575662608 /nfs/dbraw/zinc/66/26/08/575662608.db2.gz VDYINFWOQPUKKC-UHFFFAOYSA-N 1 2 274.320 1.086 20 30 CDEDLO CC(C)c1nccnc1N[NH+]=Cc1cnc(N)nc1 ZINC000773085410 575781628 /nfs/dbraw/zinc/78/16/28/575781628.db2.gz IHTCUTNXRUEKFY-UHFFFAOYSA-N 1 2 257.301 1.418 20 30 CDEDLO CC(C)(C#N)CS(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000773349216 575803285 /nfs/dbraw/zinc/80/32/85/575803285.db2.gz NMOSZFXEBCMXOK-UHFFFAOYSA-N 1 2 265.338 1.324 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)Cc1cccc(OCC#N)c1 ZINC000773831754 575840190 /nfs/dbraw/zinc/84/01/90/575840190.db2.gz ZBBSCWNVDOMAIG-UHFFFAOYSA-N 1 2 298.346 1.224 20 30 CDEDLO COc1cc(C)nc(N=NCc2ccc[nH+]c2N)n1 ZINC000764699552 575935073 /nfs/dbraw/zinc/93/50/73/575935073.db2.gz SLSBONBKWQGOGN-UHFFFAOYSA-N 1 2 258.285 1.217 20 30 CDEDLO N#CC1CC[NH+](CN2C[C@@H](c3cccnc3)CC2=O)CC1 ZINC000765689272 576049996 /nfs/dbraw/zinc/04/99/96/576049996.db2.gz VILKFCJYMVPYRJ-HNNXBMFYSA-N 1 2 284.363 1.591 20 30 CDEDLO C=CCCC(=O)COC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000767108310 576160824 /nfs/dbraw/zinc/16/08/24/576160824.db2.gz BOHOBDHJGPLTIL-NSHDSACASA-N 1 2 271.382 1.502 20 30 CDEDLO C=CCCC(=O)COC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000767108310 576160826 /nfs/dbraw/zinc/16/08/26/576160826.db2.gz BOHOBDHJGPLTIL-NSHDSACASA-N 1 2 271.382 1.502 20 30 CDEDLO C=CCCC(=O)COC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000767108308 576160845 /nfs/dbraw/zinc/16/08/45/576160845.db2.gz BOHOBDHJGPLTIL-LLVKDONJSA-N 1 2 271.382 1.502 20 30 CDEDLO C#Cc1ccc(C(=O)OCc2cc[nH+]c(N(C)C)c2)nc1 ZINC000767533980 576202345 /nfs/dbraw/zinc/20/23/45/576202345.db2.gz JXBNXCVACLXQSM-UHFFFAOYSA-N 1 2 281.315 1.881 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)[C@@H](F)c2ccccc2)CC1 ZINC000769374813 576350311 /nfs/dbraw/zinc/35/03/11/576350311.db2.gz WSJZLJXEBKVFNP-HNNXBMFYSA-N 1 2 274.339 1.865 20 30 CDEDLO CC(C)C[N@H+](CCC#N)CC(=O)N1CCO[C@H](C)C1 ZINC000739915374 576397735 /nfs/dbraw/zinc/39/77/35/576397735.db2.gz ZFZIIFOBHVPTDY-CYBMUJFWSA-N 1 2 267.373 1.105 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)CC(=O)N1CCO[C@H](C)C1 ZINC000739915374 576397736 /nfs/dbraw/zinc/39/77/36/576397736.db2.gz ZFZIIFOBHVPTDY-CYBMUJFWSA-N 1 2 267.373 1.105 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1c(C)nn(C)c1Cl ZINC000761109927 576549950 /nfs/dbraw/zinc/54/99/50/576549950.db2.gz QQRZHLXPGNFATM-UHFFFAOYSA-N 1 2 255.749 1.464 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1c(C)nn(C)c1Cl ZINC000761109927 576549951 /nfs/dbraw/zinc/54/99/51/576549951.db2.gz QQRZHLXPGNFATM-UHFFFAOYSA-N 1 2 255.749 1.464 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C3CC3)n(C)n2)CC1 ZINC000742060349 576580484 /nfs/dbraw/zinc/58/04/84/576580484.db2.gz QLUMFDQWCCGHPB-UHFFFAOYSA-N 1 2 286.379 1.079 20 30 CDEDLO CCCNC(=O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000742222281 576589802 /nfs/dbraw/zinc/58/98/02/576589802.db2.gz PDYVHRHPUCMBRP-UHFFFAOYSA-N 1 2 286.379 1.206 20 30 CDEDLO Oc1ccc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)c(O)c1 ZINC000761834292 576596262 /nfs/dbraw/zinc/59/62/62/576596262.db2.gz IGVNYXXYAIMCDP-UHFFFAOYSA-N 1 2 296.290 1.520 20 30 CDEDLO Oc1ccc(C=NNc2ccc(-n3cc[nH+]c3)nn2)c(O)c1 ZINC000761834292 576596264 /nfs/dbraw/zinc/59/62/64/576596264.db2.gz IGVNYXXYAIMCDP-UHFFFAOYSA-N 1 2 296.290 1.520 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)SC ZINC000743795074 576655003 /nfs/dbraw/zinc/65/50/03/576655003.db2.gz RJMQDQOQUWKWDL-NSHDSACASA-N 1 2 254.399 1.342 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)SC ZINC000743795074 576655004 /nfs/dbraw/zinc/65/50/04/576655004.db2.gz RJMQDQOQUWKWDL-NSHDSACASA-N 1 2 254.399 1.342 20 30 CDEDLO COc1nccnc1N=NC1CCN(c2cccc[nH+]2)CC1 ZINC000763421702 576736214 /nfs/dbraw/zinc/73/62/14/576736214.db2.gz HLDTZGHCCORMBK-UHFFFAOYSA-N 1 2 298.350 1.949 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)Cc1nccs1 ZINC000746361144 576773414 /nfs/dbraw/zinc/77/34/14/576773414.db2.gz LKJTZNOIDYJWKE-NSHDSACASA-N 1 2 263.366 1.199 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1nccs1 ZINC000746361144 576773415 /nfs/dbraw/zinc/77/34/15/576773415.db2.gz LKJTZNOIDYJWKE-NSHDSACASA-N 1 2 263.366 1.199 20 30 CDEDLO C=CC[N@@H+](C[C@@H]1CC1(Cl)Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000749297798 576942734 /nfs/dbraw/zinc/94/27/34/576942734.db2.gz NCWYLVJANUFIDI-VHSXEESVSA-N 1 2 298.235 1.855 20 30 CDEDLO C=CC[N@H+](C[C@@H]1CC1(Cl)Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000749297798 576942735 /nfs/dbraw/zinc/94/27/35/576942735.db2.gz NCWYLVJANUFIDI-VHSXEESVSA-N 1 2 298.235 1.855 20 30 CDEDLO Cc1ccc(C)c(S(=O)(=O)NN=Cc2c[nH+]cn2C)c1 ZINC000755487101 576946762 /nfs/dbraw/zinc/94/67/62/576946762.db2.gz DMNURLLXQIIMTF-UHFFFAOYSA-N 1 2 292.364 1.349 20 30 CDEDLO C[C@H](CO)N[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000749820638 576964599 /nfs/dbraw/zinc/96/45/99/576964599.db2.gz HJULMUPGBAYBHC-LLVKDONJSA-N 1 2 251.330 1.574 20 30 CDEDLO CCC#C[C@H](C)[NH+]1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000757662626 577049269 /nfs/dbraw/zinc/04/92/69/577049269.db2.gz PNQBISPAIFEICR-QWHCGFSZSA-N 1 2 265.426 1.897 20 30 CDEDLO CC[N@H+](CCC(F)(F)F)Cn1cccc(C#N)c1=O ZINC000758204655 577081742 /nfs/dbraw/zinc/08/17/42/577081742.db2.gz QSVDYTJVLZIXFS-UHFFFAOYSA-N 1 2 273.258 1.952 20 30 CDEDLO CC[N@@H+](CCC(F)(F)F)Cn1cccc(C#N)c1=O ZINC000758204655 577081743 /nfs/dbraw/zinc/08/17/43/577081743.db2.gz QSVDYTJVLZIXFS-UHFFFAOYSA-N 1 2 273.258 1.952 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000752075490 577086385 /nfs/dbraw/zinc/08/63/85/577086385.db2.gz MQIYVWVWCANTAW-HZPDHXFCSA-N 1 2 281.359 1.508 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000752075490 577086389 /nfs/dbraw/zinc/08/63/89/577086389.db2.gz MQIYVWVWCANTAW-HZPDHXFCSA-N 1 2 281.359 1.508 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@@H](C)[C@@H](NC(C)=O)C1 ZINC000964513407 613235709 /nfs/dbraw/zinc/23/57/09/613235709.db2.gz YRUBRCGVXBNDGC-KCJUWKMLSA-N 1 2 275.190 1.742 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@@H](C)[C@@H](NC(C)=O)C1 ZINC000964513407 613235712 /nfs/dbraw/zinc/23/57/12/613235712.db2.gz YRUBRCGVXBNDGC-KCJUWKMLSA-N 1 2 275.190 1.742 20 30 CDEDLO C#CCON=C(C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000812233525 617255926 /nfs/dbraw/zinc/25/59/26/617255926.db2.gz UOLAFVRYSNHCOX-MRXNPFEDSA-N 1 2 272.348 1.913 20 30 CDEDLO C#CCON=C(C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000812233525 617255927 /nfs/dbraw/zinc/25/59/27/617255927.db2.gz UOLAFVRYSNHCOX-MRXNPFEDSA-N 1 2 272.348 1.913 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(C3CC3)no2)C1 ZINC000952383392 612991758 /nfs/dbraw/zinc/99/17/58/612991758.db2.gz MZGGVRBRWZBTOB-UHFFFAOYSA-N 1 2 287.363 1.722 20 30 CDEDLO C#CCC[NH+]1CC([C@@H](C)NC(=O)c2n[nH]c3ccccc32)C1 ZINC000970832374 612996266 /nfs/dbraw/zinc/99/62/66/612996266.db2.gz HGSCYTDBOHATRN-GFCCVEGCSA-N 1 2 296.374 1.636 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2nc(C)c(C)nc2C)CC1 ZINC000949212049 613011019 /nfs/dbraw/zinc/01/10/19/613011019.db2.gz XNHQFXMWTPUBAG-UHFFFAOYSA-N 1 2 286.379 1.183 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C(C)(C)F)CC2)C1 ZINC000949273681 613209812 /nfs/dbraw/zinc/20/98/12/613209812.db2.gz OHBMXDHCDDJTPL-UHFFFAOYSA-N 1 2 282.359 1.061 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C(C)(C)F)CC2)C1 ZINC000949273681 613209813 /nfs/dbraw/zinc/20/98/13/613209813.db2.gz OHBMXDHCDDJTPL-UHFFFAOYSA-N 1 2 282.359 1.061 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C)CC)CC2)C1 ZINC000949306407 613210198 /nfs/dbraw/zinc/21/01/98/613210198.db2.gz XDFQCGVWQGHILB-CQSZACIVSA-N 1 2 278.396 1.359 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)CC)CC2)C1 ZINC000949306407 613210199 /nfs/dbraw/zinc/21/01/99/613210199.db2.gz XDFQCGVWQGHILB-CQSZACIVSA-N 1 2 278.396 1.359 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C)C(C)C)CC2)C1 ZINC000949487834 613210534 /nfs/dbraw/zinc/21/05/34/613210534.db2.gz ZDOPSSSHFJRAKG-HNNXBMFYSA-N 1 2 292.423 1.605 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)C(C)C)CC2)C1 ZINC000949487834 613210535 /nfs/dbraw/zinc/21/05/35/613210535.db2.gz ZDOPSSSHFJRAKG-HNNXBMFYSA-N 1 2 292.423 1.605 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC000968691080 613248802 /nfs/dbraw/zinc/24/88/02/613248802.db2.gz CTJSMCHJTNEFDG-QWRGUYRKSA-N 1 2 280.368 1.961 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC000968691080 613248804 /nfs/dbraw/zinc/24/88/04/613248804.db2.gz CTJSMCHJTNEFDG-QWRGUYRKSA-N 1 2 280.368 1.961 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2scnc2Cl)C1 ZINC000968651592 613256519 /nfs/dbraw/zinc/25/65/19/613256519.db2.gz KHRILFHBGLMFSR-VHSXEESVSA-N 1 2 297.811 1.870 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2scnc2Cl)C1 ZINC000968651592 613256522 /nfs/dbraw/zinc/25/65/22/613256522.db2.gz KHRILFHBGLMFSR-VHSXEESVSA-N 1 2 297.811 1.870 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2Cc3ccncc3C2)C1 ZINC000951758473 613294958 /nfs/dbraw/zinc/29/49/58/613294958.db2.gz UHEYKAWDLUNAGL-OAHLLOKOSA-N 1 2 299.418 1.905 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC000950565856 613296066 /nfs/dbraw/zinc/29/60/66/613296066.db2.gz GFVFIOFETRBMAZ-UHFFFAOYSA-N 1 2 278.356 1.146 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(C)nn2)C1 ZINC000950038012 613296453 /nfs/dbraw/zinc/29/64/53/613296453.db2.gz QIHKPMBDVRAXGM-UHFFFAOYSA-N 1 2 274.368 1.507 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cn3c(n2)CCC3)C1 ZINC000950356993 613297074 /nfs/dbraw/zinc/29/70/74/613297074.db2.gz FQJVMGACHFFMHN-UHFFFAOYSA-N 1 2 288.395 1.552 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCO2)C1 ZINC000969254477 613371507 /nfs/dbraw/zinc/37/15/07/613371507.db2.gz SHCKYINXAUTLPX-ZYHUDNBSSA-N 1 2 272.776 1.354 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2[nH]c(C)nc2C)C1 ZINC000970436936 613371562 /nfs/dbraw/zinc/37/15/62/613371562.db2.gz LYONWZJJEAWYOM-SECBINFHSA-N 1 2 296.802 1.829 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cn(CC)cn2)C1 ZINC000970747685 613371711 /nfs/dbraw/zinc/37/17/11/613371711.db2.gz CGRSUADPIXKIRZ-LLVKDONJSA-N 1 2 296.802 1.706 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000967776777 613377615 /nfs/dbraw/zinc/37/76/15/613377615.db2.gz IFCBRRVOQDRXRT-FRVYIDGWSA-N 1 2 298.814 1.458 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000967776777 613377616 /nfs/dbraw/zinc/37/76/16/613377616.db2.gz IFCBRRVOQDRXRT-FRVYIDGWSA-N 1 2 298.814 1.458 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C)co2)C1 ZINC000958323780 613380649 /nfs/dbraw/zinc/38/06/49/613380649.db2.gz DKBOYPBAUDGQJE-RYUDHWBXSA-N 1 2 298.770 1.363 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C)co2)C1 ZINC000958323780 613380650 /nfs/dbraw/zinc/38/06/50/613380650.db2.gz DKBOYPBAUDGQJE-RYUDHWBXSA-N 1 2 298.770 1.363 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC000969586053 613436570 /nfs/dbraw/zinc/43/65/70/613436570.db2.gz GYUBWRAMACSJGI-LLVKDONJSA-N 1 2 292.383 1.535 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCc2c(C)noc2C)CC1 ZINC000957610510 613561984 /nfs/dbraw/zinc/56/19/84/613561984.db2.gz ZOKFNVMCSJABTN-UHFFFAOYSA-N 1 2 289.379 1.392 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC34CC4)C2)C1 ZINC000972570229 613570931 /nfs/dbraw/zinc/57/09/31/613570931.db2.gz VJHRTNZAUKNEHI-PBHICJAKSA-N 1 2 288.391 1.113 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC34CC4)C2)C1 ZINC000972570229 613570934 /nfs/dbraw/zinc/57/09/34/613570934.db2.gz VJHRTNZAUKNEHI-PBHICJAKSA-N 1 2 288.391 1.113 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@@H](OC)C2)C1 ZINC000950649762 613654489 /nfs/dbraw/zinc/65/44/89/613654489.db2.gz VOVPEGBNHYWPOO-TZMCWYRMSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000952298671 613655011 /nfs/dbraw/zinc/65/50/11/613655011.db2.gz QPYVZFRMUKLIAS-MCIONIFRSA-N 1 2 264.369 1.273 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2(c3cc(C)no3)CC2)CC1 ZINC000949840818 613706748 /nfs/dbraw/zinc/70/67/48/613706748.db2.gz NDCLDQSIUDICMY-UHFFFAOYSA-N 1 2 275.352 1.345 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)c2cnn(C)c2)CC1 ZINC000956983575 613706985 /nfs/dbraw/zinc/70/69/85/613706985.db2.gz NHSYKRJMMBRIOK-UHFFFAOYSA-N 1 2 276.384 1.028 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2NC(=O)c3ccccc32)CC1 ZINC000952360246 613709482 /nfs/dbraw/zinc/70/94/82/613709482.db2.gz OYPFLITXKLQLKU-OAHLLOKOSA-N 1 2 299.374 1.191 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2c[nH]c3cnccc23)CC1 ZINC000949840647 613709486 /nfs/dbraw/zinc/70/94/86/613709486.db2.gz JJUFNGLPOYWRQK-UHFFFAOYSA-N 1 2 284.363 1.436 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2Cc3c(cccc3C)O2)CC1 ZINC000957346488 613711781 /nfs/dbraw/zinc/71/17/81/613711781.db2.gz PETVFDJBKXPNBY-INIZCTEOSA-N 1 2 286.375 1.629 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccnc2OC)CC1 ZINC000949995196 613717610 /nfs/dbraw/zinc/71/76/10/613717610.db2.gz BQRKGHBCIGNRGT-UHFFFAOYSA-N 1 2 261.325 1.034 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnn(C(C)(C)C)c2)CC1 ZINC000949039471 613718057 /nfs/dbraw/zinc/71/80/57/613718057.db2.gz NCFOYFMZYCJJCG-UHFFFAOYSA-N 1 2 276.384 1.582 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnn3c2C[C@H](C)CC3)CC1 ZINC000957493723 613718667 /nfs/dbraw/zinc/71/86/67/613718667.db2.gz VZAMMTOVTZDOQJ-CYBMUJFWSA-N 1 2 288.395 1.409 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ocnc3C)C2)C1 ZINC000972321812 613724136 /nfs/dbraw/zinc/72/41/36/613724136.db2.gz XVMQCCQJVPUFKR-HNNXBMFYSA-N 1 2 291.351 1.086 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ocnc3C)C2)C1 ZINC000972321812 613724137 /nfs/dbraw/zinc/72/41/37/613724137.db2.gz XVMQCCQJVPUFKR-HNNXBMFYSA-N 1 2 291.351 1.086 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3coc(C)c3)C2)C1 ZINC000972356746 613724274 /nfs/dbraw/zinc/72/42/74/613724274.db2.gz FZTHMNKVSKBKLF-INIZCTEOSA-N 1 2 290.363 1.691 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3coc(C)c3)C2)C1 ZINC000972356746 613724278 /nfs/dbraw/zinc/72/42/78/613724278.db2.gz FZTHMNKVSKBKLF-INIZCTEOSA-N 1 2 290.363 1.691 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3oncc3C)C2)C1 ZINC000972616670 613725708 /nfs/dbraw/zinc/72/57/08/613725708.db2.gz DGHCNSHNDLGTAU-HNNXBMFYSA-N 1 2 291.351 1.086 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3oncc3C)C2)C1 ZINC000972616670 613725710 /nfs/dbraw/zinc/72/57/10/613725710.db2.gz DGHCNSHNDLGTAU-HNNXBMFYSA-N 1 2 291.351 1.086 20 30 CDEDLO C=CC[N@H+](CN1C[C@H](C(C)C)CC1=O)[C@H](C)COC ZINC000853535225 617415923 /nfs/dbraw/zinc/41/59/23/617415923.db2.gz RJODFSKSAYJBJC-ZIAGYGMSSA-N 1 2 268.401 1.971 20 30 CDEDLO C=CC[N@@H+](CN1C[C@H](C(C)C)CC1=O)[C@H](C)COC ZINC000853535225 617415926 /nfs/dbraw/zinc/41/59/26/617415926.db2.gz RJODFSKSAYJBJC-ZIAGYGMSSA-N 1 2 268.401 1.971 20 30 CDEDLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000782586589 617508951 /nfs/dbraw/zinc/50/89/51/617508951.db2.gz OKOZIXYNQZGINW-LBPRGKRZSA-N 1 2 257.337 1.415 20 30 CDEDLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000782586589 617508952 /nfs/dbraw/zinc/50/89/52/617508952.db2.gz OKOZIXYNQZGINW-LBPRGKRZSA-N 1 2 257.337 1.415 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1csc(CC)n1)[C@H]1CCCO1 ZINC000775341298 617520198 /nfs/dbraw/zinc/52/01/98/617520198.db2.gz LIRYOFSAYIEDRC-VXGBXAGGSA-N 1 2 250.367 1.976 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)cs1 ZINC000891662368 617528126 /nfs/dbraw/zinc/52/81/26/617528126.db2.gz NACJMJMCLOZLNY-CYBMUJFWSA-N 1 2 275.377 1.863 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)cs1 ZINC000891662368 617528129 /nfs/dbraw/zinc/52/81/29/617528129.db2.gz NACJMJMCLOZLNY-CYBMUJFWSA-N 1 2 275.377 1.863 20 30 CDEDLO N#C[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000928219315 618574865 /nfs/dbraw/zinc/57/48/65/618574865.db2.gz UFGDPKNZYGTVRK-ZFWWWQNUSA-N 1 2 291.395 1.392 20 30 CDEDLO N#C[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000928219315 618574876 /nfs/dbraw/zinc/57/48/76/618574876.db2.gz UFGDPKNZYGTVRK-ZFWWWQNUSA-N 1 2 291.395 1.392 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cn3ccnc3s2)C1=O ZINC000894231459 618740211 /nfs/dbraw/zinc/74/02/11/618740211.db2.gz QBXQTAZTOXLVAR-GFCCVEGCSA-N 1 2 290.392 1.615 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cn3ccnc3s2)C1=O ZINC000894231459 618740212 /nfs/dbraw/zinc/74/02/12/618740212.db2.gz QBXQTAZTOXLVAR-GFCCVEGCSA-N 1 2 290.392 1.615 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000895740292 619818824 /nfs/dbraw/zinc/81/88/24/619818824.db2.gz PWOXPRZEKBWBCV-ZDUSSCGKSA-N 1 2 272.348 1.118 20 30 CDEDLO CCn1c[nH+]c2c1CCN(c1ccc(C#N)cc1CO)C2 ZINC000896655494 620185140 /nfs/dbraw/zinc/18/51/40/620185140.db2.gz XYPCPRZDCIIICR-UHFFFAOYSA-N 1 2 282.347 1.830 20 30 CDEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CC(N3CCCC3=O)C2)cc1 ZINC000897785922 621122346 /nfs/dbraw/zinc/12/23/46/621122346.db2.gz BRWQTUAAQPNDHP-ZDUSSCGKSA-N 1 2 299.374 1.784 20 30 CDEDLO C#Cc1ccc(C(=O)NC(C)(C)C[NH+]2CCOCC2)cc1 ZINC000898128441 621330039 /nfs/dbraw/zinc/33/00/39/621330039.db2.gz QQXHAMAIOQOTGU-UHFFFAOYSA-N 1 2 286.375 1.509 20 30 CDEDLO C=C1C[NH+](C[C@@H](O)COCc2ccc(OC)cc2)C1 ZINC000899901290 622516967 /nfs/dbraw/zinc/51/69/67/622516967.db2.gz HUKUVLOGMNANJO-CQSZACIVSA-N 1 2 263.337 1.445 20 30 CDEDLO O[C@@H]1CCCC[C@H]1NN=C1CCN(c2cccc[nH+]2)CC1 ZINC000901339537 624160346 /nfs/dbraw/zinc/16/03/46/624160346.db2.gz PZNMBJYQYWIJMM-HUUCEWRRSA-N 1 2 288.395 1.931 20 30 CDEDLO Cn1c[nH+]cc1/C=C1/S/C(=N/C2CCCC2)NC1=O ZINC000901431313 624243973 /nfs/dbraw/zinc/24/39/73/624243973.db2.gz SFZAYCGHFWCXNK-IZZDOVSWSA-N 1 2 276.365 1.923 20 30 CDEDLO C[Si](C)(C)C#CCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000912326892 629938106 /nfs/dbraw/zinc/93/81/06/629938106.db2.gz ICEKSFUBAJMTRQ-VOTSOKGWSA-N 1 2 294.471 1.262 20 30 CDEDLO Cn1cc([C@@H]2CN(C(=O)c3cccc(C#N)c3)CC[NH2+]2)cn1 ZINC000913474769 630498549 /nfs/dbraw/zinc/49/85/49/630498549.db2.gz HALKCUONPXEWJA-HNNXBMFYSA-N 1 2 295.346 1.078 20 30 CDEDLO CC(C)[C@H](C(=O)OCC(=O)c1cccc(C#N)c1)[NH+](C)C ZINC000803496337 630588792 /nfs/dbraw/zinc/58/87/92/630588792.db2.gz ZEVVKOLTPTWTAI-OAHLLOKOSA-N 1 2 288.347 1.870 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(CC)no3)C[C@H]21 ZINC001114025854 1162404839 /nfs/dbraw/zinc/40/48/39/1162404839.db2.gz RLHQKKNWRRDUSN-HBYGRHMLSA-N 1 2 290.367 1.145 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(CC)no3)C[C@H]21 ZINC001114025854 1162404841 /nfs/dbraw/zinc/40/48/41/1162404841.db2.gz RLHQKKNWRRDUSN-HBYGRHMLSA-N 1 2 290.367 1.145 20 30 CDEDLO CC(C)(C)C#CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001114258557 1162462733 /nfs/dbraw/zinc/46/27/33/1162462733.db2.gz VBKCGWQZSXEKBK-NHAGDIPZSA-N 1 2 287.363 1.271 20 30 CDEDLO CC(C)(C)C#CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001114258557 1162462738 /nfs/dbraw/zinc/46/27/38/1162462738.db2.gz VBKCGWQZSXEKBK-NHAGDIPZSA-N 1 2 287.363 1.271 20 30 CDEDLO C=CCCCC(=O)N1CCC(=O)NCC[N@@H+](CC=C)CC1 ZINC001131378875 1162883792 /nfs/dbraw/zinc/88/37/92/1162883792.db2.gz KKHAQOWTGMZJLQ-UHFFFAOYSA-N 1 2 293.411 1.179 20 30 CDEDLO C=CCCCC(=O)N1CCC(=O)NCC[N@H+](CC=C)CC1 ZINC001131378875 1162883799 /nfs/dbraw/zinc/88/37/99/1162883799.db2.gz KKHAQOWTGMZJLQ-UHFFFAOYSA-N 1 2 293.411 1.179 20 30 CDEDLO Cc1nc(NC[C@@H](C)N(C)C(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001104521362 1159457778 /nfs/dbraw/zinc/45/77/78/1159457778.db2.gz BPTTXLDSMJRVBI-SNVBAGLBSA-N 1 2 298.350 1.557 20 30 CDEDLO COC(=O)c1cc(C#N)ccc1NC[C@@H]1COCC[N@@H+]1C ZINC001169653347 1162015741 /nfs/dbraw/zinc/01/57/41/1162015741.db2.gz HJJUAIPVBSOTIL-GFCCVEGCSA-N 1 2 289.335 1.087 20 30 CDEDLO COC(=O)c1cc(C#N)ccc1NC[C@@H]1COCC[N@H+]1C ZINC001169653347 1162015746 /nfs/dbraw/zinc/01/57/46/1162015746.db2.gz HJJUAIPVBSOTIL-GFCCVEGCSA-N 1 2 289.335 1.087 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(C)co2)CC1 ZINC001113223748 1162131757 /nfs/dbraw/zinc/13/17/57/1162131757.db2.gz MQLHMBHJUOQXAL-UHFFFAOYSA-N 1 2 278.352 1.548 20 30 CDEDLO C[C@@H](Nc1ncccc1C#N)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001113314725 1162152858 /nfs/dbraw/zinc/15/28/58/1162152858.db2.gz VJHFITFQCNVGBU-WDEREUQCSA-N 1 2 298.350 1.224 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(CC)on2)CC1 ZINC001113556117 1162217664 /nfs/dbraw/zinc/21/76/64/1162217664.db2.gz FPRAPNMXBZFGME-UHFFFAOYSA-N 1 2 293.367 1.197 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132217694 1163199949 /nfs/dbraw/zinc/19/99/49/1163199949.db2.gz FVHCVZUIYOQEBW-NWDGAFQWSA-N 1 2 281.400 1.043 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001132217694 1163199950 /nfs/dbraw/zinc/19/99/50/1163199950.db2.gz FVHCVZUIYOQEBW-NWDGAFQWSA-N 1 2 281.400 1.043 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[NH2+][C@@H](C)c2csnn2)C1 ZINC001133563986 1163787047 /nfs/dbraw/zinc/78/70/47/1163787047.db2.gz DNXFGLDXIDYUMA-JTQLQIEISA-N 1 2 280.397 1.661 20 30 CDEDLO C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1ncc[nH]1)C2 ZINC001203976502 1164433441 /nfs/dbraw/zinc/43/34/41/1164433441.db2.gz AAYPOKBQLVMLGK-MRXNPFEDSA-N 1 2 288.395 1.943 20 30 CDEDLO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ncc[nH]1)C2 ZINC001203976502 1164433446 /nfs/dbraw/zinc/43/34/46/1164433446.db2.gz AAYPOKBQLVMLGK-MRXNPFEDSA-N 1 2 288.395 1.943 20 30 CDEDLO C#CC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(=O)[O-] ZINC001602695141 1175361037 /nfs/dbraw/zinc/36/10/37/1175361037.db2.gz XXAVEPSRHAMFDW-LBPRGKRZSA-N 1 2 275.333 1.500 20 30 CDEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc(-c2nn[nH]n2)cs1 ZINC001602807123 1175409752 /nfs/dbraw/zinc/40/97/52/1175409752.db2.gz HRSRPRVSILMCSR-VIFPVBQESA-N 1 2 276.369 1.864 20 30 CDEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc(-c2nn[nH]n2)cs1 ZINC001602807123 1175409756 /nfs/dbraw/zinc/40/97/56/1175409756.db2.gz HRSRPRVSILMCSR-VIFPVBQESA-N 1 2 276.369 1.864 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H](C)COC ZINC001731799603 1182589945 /nfs/dbraw/zinc/58/99/45/1182589945.db2.gz OVPYKVSWMHAVDB-JTQLQIEISA-N 1 2 262.781 1.460 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H](C)COC ZINC001731799603 1182589949 /nfs/dbraw/zinc/58/99/49/1182589949.db2.gz OVPYKVSWMHAVDB-JTQLQIEISA-N 1 2 262.781 1.460 20 30 CDEDLO C=CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2cnnn2C)C1 ZINC001732091796 1182758991 /nfs/dbraw/zinc/75/89/91/1182758991.db2.gz ZURKIHAGLHLVHH-ZDUSSCGKSA-N 1 2 291.399 1.252 20 30 CDEDLO C=CCCCC(=O)N[C@H]1CCC[N@H+](Cc2cnnn2C)C1 ZINC001732091796 1182758995 /nfs/dbraw/zinc/75/89/95/1182758995.db2.gz ZURKIHAGLHLVHH-ZDUSSCGKSA-N 1 2 291.399 1.252 20 30 CDEDLO C#CCCCC(=O)N(C)C1CC[NH+](Cc2ccon2)CC1 ZINC001752299961 1184849706 /nfs/dbraw/zinc/84/97/06/1184849706.db2.gz QSFBFFCEYBFOEL-UHFFFAOYSA-N 1 2 289.379 1.901 20 30 CDEDLO CC(C)C#CC(=O)NCC[NH+]1CCN(C/C=C\Cl)CC1 ZINC001752364724 1184854762 /nfs/dbraw/zinc/85/47/62/1184854762.db2.gz BZDOCSROIYYFEX-UTCJRWHESA-N 1 2 297.830 1.132 20 30 CDEDLO CC(C)C#CC(=O)NCCN1CC[NH+](C/C=C\Cl)CC1 ZINC001752364724 1184854768 /nfs/dbraw/zinc/85/47/68/1184854768.db2.gz BZDOCSROIYYFEX-UTCJRWHESA-N 1 2 297.830 1.132 20 30 CDEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001752571931 1184879191 /nfs/dbraw/zinc/87/91/91/1184879191.db2.gz SCYOPZOBKLGVDR-LBPRGKRZSA-N 1 2 292.383 1.671 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC#Cc1ccccc1 ZINC001753427096 1185199048 /nfs/dbraw/zinc/19/90/48/1185199048.db2.gz CMEJQRHVZHZIJD-IRXDYDNUSA-N 1 2 278.355 1.347 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC#Cc1ccccc1 ZINC001753427096 1185199052 /nfs/dbraw/zinc/19/90/52/1185199052.db2.gz CMEJQRHVZHZIJD-IRXDYDNUSA-N 1 2 278.355 1.347 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)COc2ccccc2)C1 ZINC001753655380 1185288672 /nfs/dbraw/zinc/28/86/72/1185288672.db2.gz AYCRWIVYXGIOFS-HNNXBMFYSA-N 1 2 290.363 1.068 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)COc2ccccc2)C1 ZINC001753655380 1185288678 /nfs/dbraw/zinc/28/86/78/1185288678.db2.gz AYCRWIVYXGIOFS-HNNXBMFYSA-N 1 2 290.363 1.068 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C(C)(C)C1CC1)O2 ZINC001755056288 1185801235 /nfs/dbraw/zinc/80/12/35/1185801235.db2.gz ZDHJIPXILARRHR-CQSZACIVSA-N 1 2 292.423 1.958 20 30 CDEDLO C=CCCCC(=O)N1C[C@H]([NH2+]Cc2cnsn2)[C@@H](C)C1 ZINC001755113109 1185819325 /nfs/dbraw/zinc/81/93/25/1185819325.db2.gz FKAGJVOAQPELFA-AAEUAGOBSA-N 1 2 294.424 1.831 20 30 CDEDLO C=CCCC(=O)N[C@H](C)C1C[NH+](Cc2nocc2C)C1 ZINC001755375334 1185934231 /nfs/dbraw/zinc/93/42/31/1185934231.db2.gz OTMHUQJYQHOETJ-GFCCVEGCSA-N 1 2 277.368 1.886 20 30 CDEDLO O=C(C#CC1CC1)NCC1=CC[N@H+](Cc2ccon2)CC1 ZINC001755886589 1186101257 /nfs/dbraw/zinc/10/12/57/1186101257.db2.gz MPLHXYWEPBQEKH-UHFFFAOYSA-N 1 2 285.347 1.336 20 30 CDEDLO O=C(C#CC1CC1)NCC1=CC[N@@H+](Cc2ccon2)CC1 ZINC001755886589 1186101260 /nfs/dbraw/zinc/10/12/60/1186101260.db2.gz MPLHXYWEPBQEKH-UHFFFAOYSA-N 1 2 285.347 1.336 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cncs2)C1 ZINC001014819903 742839119 /nfs/dbraw/zinc/83/91/19/742839119.db2.gz HUQCFHPKWXEDAV-JTQLQIEISA-N 1 2 285.800 1.629 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cncs2)C1 ZINC001014819903 742839120 /nfs/dbraw/zinc/83/91/20/742839120.db2.gz HUQCFHPKWXEDAV-JTQLQIEISA-N 1 2 285.800 1.629 20 30 CDEDLO C=C(C)C[C@H](CO)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000882903377 742850259 /nfs/dbraw/zinc/85/02/59/742850259.db2.gz BDONGNHICGJBIJ-ZIAGYGMSSA-N 1 2 279.384 1.914 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nc(C)n1 ZINC001032681622 742863609 /nfs/dbraw/zinc/86/36/09/742863609.db2.gz FNKYCQVMLWNRIB-KBPBESRZSA-N 1 2 284.363 1.015 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nc(C)n1 ZINC001032681622 742863610 /nfs/dbraw/zinc/86/36/10/742863610.db2.gz FNKYCQVMLWNRIB-KBPBESRZSA-N 1 2 284.363 1.015 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]nc1CC ZINC001027989797 742893648 /nfs/dbraw/zinc/89/36/48/742893648.db2.gz PLWCRHLKMLXDHB-NSHDSACASA-N 1 2 296.802 1.919 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]nc1CC ZINC001027989797 742893650 /nfs/dbraw/zinc/89/36/50/742893650.db2.gz PLWCRHLKMLXDHB-NSHDSACASA-N 1 2 296.802 1.919 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2ncn(C)n2)CC1 ZINC001005354316 742934659 /nfs/dbraw/zinc/93/46/59/742934659.db2.gz XRVFLZCGKNVFMM-UHFFFAOYSA-N 1 2 297.790 1.104 20 30 CDEDLO C#CCOCC[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000852171185 743027296 /nfs/dbraw/zinc/02/72/96/743027296.db2.gz ATJRILZWDAKWMF-LBPRGKRZSA-N 1 2 267.369 1.831 20 30 CDEDLO C#CCOCC[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000852171185 743027301 /nfs/dbraw/zinc/02/73/01/743027301.db2.gz ATJRILZWDAKWMF-LBPRGKRZSA-N 1 2 267.369 1.831 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH]cc2C)C1 ZINC001016252882 743030045 /nfs/dbraw/zinc/03/00/45/743030045.db2.gz VZGZJIDHJKCTRF-NSHDSACASA-N 1 2 267.760 1.880 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]cc2C)C1 ZINC001016252882 743030058 /nfs/dbraw/zinc/03/00/58/743030058.db2.gz VZGZJIDHJKCTRF-NSHDSACASA-N 1 2 267.760 1.880 20 30 CDEDLO Cc1[nH+]c(C(C)N=Nc2cc(Cl)nc(N)n2)cn1C ZINC000800815554 743046636 /nfs/dbraw/zinc/04/66/36/743046636.db2.gz DWYTWKUNEGTQFB-UHFFFAOYSA-N 1 2 279.735 1.590 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cnc(C3CC3)s2)C1 ZINC001016053668 743055241 /nfs/dbraw/zinc/05/52/41/743055241.db2.gz BELNPCQOXRNHEN-GFCCVEGCSA-N 1 2 289.404 1.848 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cnc(C3CC3)s2)C1 ZINC001016053668 743055255 /nfs/dbraw/zinc/05/52/55/743055255.db2.gz BELNPCQOXRNHEN-GFCCVEGCSA-N 1 2 289.404 1.848 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)n[nH]1 ZINC001017373630 743060605 /nfs/dbraw/zinc/06/06/05/743060605.db2.gz WWMQCRVTXYRIJD-OKILXGFUSA-N 1 2 286.379 1.284 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)n[nH]1 ZINC001017373630 743060610 /nfs/dbraw/zinc/06/06/10/743060610.db2.gz WWMQCRVTXYRIJD-OKILXGFUSA-N 1 2 286.379 1.284 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccn1CC ZINC001032785087 743080390 /nfs/dbraw/zinc/08/03/90/743080390.db2.gz VXFIWHFUKIRTSD-STQMWFEESA-N 1 2 257.337 1.040 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccn1CC ZINC001032785087 743080397 /nfs/dbraw/zinc/08/03/97/743080397.db2.gz VXFIWHFUKIRTSD-STQMWFEESA-N 1 2 257.337 1.040 20 30 CDEDLO Cc1ccc(N(C)CCCn2cc[nH+]c2)c(C#N)n1 ZINC000882108667 743083118 /nfs/dbraw/zinc/08/31/18/743083118.db2.gz BUNVGBNOAJWMJT-UHFFFAOYSA-N 1 2 255.325 1.985 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2ocnc2C)CC1 ZINC001002537573 743206420 /nfs/dbraw/zinc/20/64/20/743206420.db2.gz RBTHLPLKUSXVPG-UHFFFAOYSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001033946947 743225318 /nfs/dbraw/zinc/22/53/18/743225318.db2.gz ZUFPUMPMUSDFKX-CQSZACIVSA-N 1 2 293.411 1.141 20 30 CDEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001033946947 743225338 /nfs/dbraw/zinc/22/53/38/743225338.db2.gz ZUFPUMPMUSDFKX-CQSZACIVSA-N 1 2 293.411 1.141 20 30 CDEDLO Cc1ccc(NCC(C)(C)[NH+]2CCOCC2)c(C#N)n1 ZINC000881752889 743367256 /nfs/dbraw/zinc/36/72/56/743367256.db2.gz BWSJPOACCIHKOU-UHFFFAOYSA-N 1 2 274.368 1.784 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccn(C)n2)CC[C@@H]1C ZINC001072072488 743395876 /nfs/dbraw/zinc/39/58/76/743395876.db2.gz KYFMAQQSXDCUFD-NWDGAFQWSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccn(C)n2)CC[C@@H]1C ZINC001072072488 743395887 /nfs/dbraw/zinc/39/58/87/743395887.db2.gz KYFMAQQSXDCUFD-NWDGAFQWSA-N 1 2 296.802 1.755 20 30 CDEDLO C[C@@H]1C[C@@H](NCC#N)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001044647021 743479330 /nfs/dbraw/zinc/47/93/30/743479330.db2.gz HIRKWQYWRASJET-YPMHNXCESA-N 1 2 297.362 1.669 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccncc2C(F)(F)F)C1 ZINC001031190294 744988087 /nfs/dbraw/zinc/98/80/87/744988087.db2.gz XYXXPZJBJPCPFT-UHFFFAOYSA-N 1 2 297.280 1.538 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NCC(C)(C)CC#N ZINC000922834907 745017085 /nfs/dbraw/zinc/01/70/85/745017085.db2.gz BUPGJFDNJVHZEE-CYBMUJFWSA-N 1 2 296.415 1.336 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)nc1 ZINC001017419842 745024516 /nfs/dbraw/zinc/02/45/16/745024516.db2.gz WJAVDKPWZKQKSN-OKILXGFUSA-N 1 2 287.338 1.533 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)nc1 ZINC001017419842 745024521 /nfs/dbraw/zinc/02/45/21/745024521.db2.gz WJAVDKPWZKQKSN-OKILXGFUSA-N 1 2 287.338 1.533 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2sccc2C)C1 ZINC001035261999 745038471 /nfs/dbraw/zinc/03/84/71/745038471.db2.gz KXJGHVVPVMHAHV-GFCCVEGCSA-N 1 2 280.393 1.673 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2sccc2C)C1 ZINC001035261999 745038482 /nfs/dbraw/zinc/03/84/82/745038482.db2.gz KXJGHVVPVMHAHV-GFCCVEGCSA-N 1 2 280.393 1.673 20 30 CDEDLO C#Cc1cccnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000853103635 745042445 /nfs/dbraw/zinc/04/24/45/745042445.db2.gz ONYCNONGNOENTI-UHFFFAOYSA-N 1 2 267.332 1.978 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC23CCOCC3)C1 ZINC001016428164 745049840 /nfs/dbraw/zinc/04/98/40/745049840.db2.gz SPLWPDYWXQFQBR-QWHCGFSZSA-N 1 2 298.814 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC23CCOCC3)C1 ZINC001016428164 745049845 /nfs/dbraw/zinc/04/98/45/745049845.db2.gz SPLWPDYWXQFQBR-QWHCGFSZSA-N 1 2 298.814 1.746 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(N(C)C)cc1F ZINC001038346438 745092011 /nfs/dbraw/zinc/09/20/11/745092011.db2.gz QEYSIUYVVYUEBH-ZDUSSCGKSA-N 1 2 289.354 1.329 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N(C)C)cc1F ZINC001038346438 745092017 /nfs/dbraw/zinc/09/20/17/745092017.db2.gz QEYSIUYVVYUEBH-ZDUSSCGKSA-N 1 2 289.354 1.329 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc[nH]n2)C1 ZINC001033766079 745158353 /nfs/dbraw/zinc/15/83/53/745158353.db2.gz UVQICFAIDRDYHK-NSHDSACASA-N 1 2 282.775 1.699 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc[nH]n2)C1 ZINC001033766079 745158377 /nfs/dbraw/zinc/15/83/77/745158377.db2.gz UVQICFAIDRDYHK-NSHDSACASA-N 1 2 282.775 1.699 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccn[nH]2)C1 ZINC001033766079 745158398 /nfs/dbraw/zinc/15/83/98/745158398.db2.gz UVQICFAIDRDYHK-NSHDSACASA-N 1 2 282.775 1.699 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccn[nH]2)C1 ZINC001033766079 745158421 /nfs/dbraw/zinc/15/84/21/745158421.db2.gz UVQICFAIDRDYHK-NSHDSACASA-N 1 2 282.775 1.699 20 30 CDEDLO N#CCOc1ccc(CC(=O)OCc2cc[nH+]c(N)c2)cc1 ZINC000791885184 745168716 /nfs/dbraw/zinc/16/87/16/745168716.db2.gz HOHITORSXRTFCT-UHFFFAOYSA-N 1 2 297.314 1.852 20 30 CDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cncnc2)CC1 ZINC001004413514 745200493 /nfs/dbraw/zinc/20/04/93/745200493.db2.gz LJZNKGNPAGQDPT-OAHLLOKOSA-N 1 2 299.378 1.317 20 30 CDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cncnc2)CC1 ZINC001004413514 745200514 /nfs/dbraw/zinc/20/05/14/745200514.db2.gz LJZNKGNPAGQDPT-OAHLLOKOSA-N 1 2 299.378 1.317 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H](C)CO1 ZINC001017753949 745267448 /nfs/dbraw/zinc/26/74/48/745267448.db2.gz SJYHZPBECREOKG-BYNSBNAKSA-N 1 2 276.380 1.110 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H](C)CO1 ZINC001017753949 745267454 /nfs/dbraw/zinc/26/74/54/745267454.db2.gz SJYHZPBECREOKG-BYNSBNAKSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852756872 745301016 /nfs/dbraw/zinc/30/10/16/745301016.db2.gz WXEJIWUGIPFWJA-ZJUUUORDSA-N 1 2 262.275 1.399 20 30 CDEDLO C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852756872 745301023 /nfs/dbraw/zinc/30/10/23/745301023.db2.gz WXEJIWUGIPFWJA-ZJUUUORDSA-N 1 2 262.275 1.399 20 30 CDEDLO COc1cc(C)nc(N=NCc2ccc(N)[nH+]c2)n1 ZINC000807974474 745363833 /nfs/dbraw/zinc/36/38/33/745363833.db2.gz IRQFPQOKMUPPRZ-UHFFFAOYSA-N 1 2 258.285 1.217 20 30 CDEDLO Cc1nc(C#N)cc(NCCCCN2CC[NH+](C)CC2)n1 ZINC000881802735 745382601 /nfs/dbraw/zinc/38/26/01/745382601.db2.gz GEHCVAPLCZIVGN-UHFFFAOYSA-N 1 2 288.399 1.096 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1nccn1C(F)F)[C@@H]1CCCO1 ZINC000775345032 745385882 /nfs/dbraw/zinc/38/58/82/745385882.db2.gz MBAGIWRWFQPRTE-ZJUUUORDSA-N 1 2 255.268 1.549 20 30 CDEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)C(C)C)CC1 ZINC001071005764 745388992 /nfs/dbraw/zinc/38/89/92/745388992.db2.gz HGZZAHWTJFWQAJ-AWEZNQCLSA-N 1 2 295.427 1.115 20 30 CDEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)C(C)C)CC1 ZINC001071005764 745388999 /nfs/dbraw/zinc/38/89/99/745388999.db2.gz HGZZAHWTJFWQAJ-AWEZNQCLSA-N 1 2 295.427 1.115 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cccc(SC)c1 ZINC000884044647 745392756 /nfs/dbraw/zinc/39/27/56/745392756.db2.gz PIPBKBURVDUUNZ-LBPRGKRZSA-N 1 2 294.376 1.794 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001054975361 745503074 /nfs/dbraw/zinc/50/30/74/745503074.db2.gz CTWAZUOASLLZBI-ZYHUDNBSSA-N 1 2 292.383 1.527 20 30 CDEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@](C)(C(C)(C)C)C1=O ZINC000193331003 745518586 /nfs/dbraw/zinc/51/85/86/745518586.db2.gz UBRPFVFQPSFIHG-AWEZNQCLSA-N 1 2 267.373 1.808 20 30 CDEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@](C)(C(C)(C)C)C1=O ZINC000193331003 745518602 /nfs/dbraw/zinc/51/86/02/745518602.db2.gz UBRPFVFQPSFIHG-AWEZNQCLSA-N 1 2 267.373 1.808 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cccnc2c1 ZINC001032689410 745526836 /nfs/dbraw/zinc/52/68/36/745526836.db2.gz GNYBDZTXMLXZTE-HOTGVXAUSA-N 1 2 291.354 1.767 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cccnc2c1 ZINC001032689410 745526843 /nfs/dbraw/zinc/52/68/43/745526843.db2.gz GNYBDZTXMLXZTE-HOTGVXAUSA-N 1 2 291.354 1.767 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCCN2C(=O)CC)C1 ZINC001042775236 745556545 /nfs/dbraw/zinc/55/65/45/745556545.db2.gz ZHELNRSDKWDKCH-AWEZNQCLSA-N 1 2 293.411 1.106 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001031444277 745619159 /nfs/dbraw/zinc/61/91/59/745619159.db2.gz JANYPMSVEXQBHY-CYBMUJFWSA-N 1 2 286.375 1.622 20 30 CDEDLO N#Cc1csc(CNC(=O)NCCCn2cc[nH+]c2)n1 ZINC000891427460 745619195 /nfs/dbraw/zinc/61/91/95/745619195.db2.gz VBKNSAWLTKENHI-UHFFFAOYSA-N 1 2 290.352 1.101 20 30 CDEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)c1cc[nH]c1 ZINC001038283236 745630176 /nfs/dbraw/zinc/63/01/76/745630176.db2.gz CJRYZMUDDTXJNA-KRWDZBQOSA-N 1 2 293.370 1.871 20 30 CDEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)c1cc[nH]c1 ZINC001038283236 745630181 /nfs/dbraw/zinc/63/01/81/745630181.db2.gz CJRYZMUDDTXJNA-KRWDZBQOSA-N 1 2 293.370 1.871 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)C1 ZINC001031418132 745632781 /nfs/dbraw/zinc/63/27/81/745632781.db2.gz SXSSEMQCEZUJBH-QGZVFWFLSA-N 1 2 298.386 1.431 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001073736642 745647353 /nfs/dbraw/zinc/64/73/53/745647353.db2.gz YIQISTZOVBYTMH-DRZSPHRISA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001073736642 745647361 /nfs/dbraw/zinc/64/73/61/745647361.db2.gz YIQISTZOVBYTMH-DRZSPHRISA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C3(C)CC3)C[C@@H]21 ZINC001074252662 745657649 /nfs/dbraw/zinc/65/76/49/745657649.db2.gz POPBPNMYEKCHKO-KBPBESRZSA-N 1 2 278.396 1.664 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3(C)CC3)C[C@@H]21 ZINC001074252662 745657656 /nfs/dbraw/zinc/65/76/56/745657656.db2.gz POPBPNMYEKCHKO-KBPBESRZSA-N 1 2 278.396 1.664 20 30 CDEDLO N#Cc1cccc(OCC[N@@H+]2CCc3ncncc3C2)c1 ZINC000880594155 745758556 /nfs/dbraw/zinc/75/85/56/745758556.db2.gz IOTRGKLOELEGBD-UHFFFAOYSA-N 1 2 280.331 1.785 20 30 CDEDLO N#Cc1cccc(OCC[N@H+]2CCc3ncncc3C2)c1 ZINC000880594155 745758567 /nfs/dbraw/zinc/75/85/67/745758567.db2.gz IOTRGKLOELEGBD-UHFFFAOYSA-N 1 2 280.331 1.785 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC23CC3)C1 ZINC001035414718 745786420 /nfs/dbraw/zinc/78/64/20/745786420.db2.gz JEFLTEJMYPNNOE-ZIAGYGMSSA-N 1 2 278.396 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC23CC3)C1 ZINC001035414718 745786426 /nfs/dbraw/zinc/78/64/26/745786426.db2.gz JEFLTEJMYPNNOE-ZIAGYGMSSA-N 1 2 278.396 1.570 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)cn1 ZINC001038935486 745811057 /nfs/dbraw/zinc/81/10/57/745811057.db2.gz UIGFJKIIZSPCAF-LLVKDONJSA-N 1 2 263.728 1.172 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)cn1 ZINC001038935486 745811058 /nfs/dbraw/zinc/81/10/58/745811058.db2.gz UIGFJKIIZSPCAF-LLVKDONJSA-N 1 2 263.728 1.172 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c[nH]c3cccnc23)C1 ZINC001031262605 745814257 /nfs/dbraw/zinc/81/42/57/745814257.db2.gz KSPRKUVZTRFPIX-UHFFFAOYSA-N 1 2 268.320 1.000 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)ncn1 ZINC001017484530 745819697 /nfs/dbraw/zinc/81/96/97/745819697.db2.gz HZDQDDNNSUDUDG-OKILXGFUSA-N 1 2 284.363 1.097 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)ncn1 ZINC001017484530 745819698 /nfs/dbraw/zinc/81/96/98/745819698.db2.gz HZDQDDNNSUDUDG-OKILXGFUSA-N 1 2 284.363 1.097 20 30 CDEDLO C#CCCOC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000858916854 745825609 /nfs/dbraw/zinc/82/56/09/745825609.db2.gz BVYCMTBPGDKKHI-UHFFFAOYSA-N 1 2 258.321 1.752 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccnc1C1CC1 ZINC001038464290 745828774 /nfs/dbraw/zinc/82/87/74/745828774.db2.gz DLZQYNLMLIOAPV-CYBMUJFWSA-N 1 2 269.348 1.396 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccnc1C1CC1 ZINC001038464290 745828775 /nfs/dbraw/zinc/82/87/75/745828775.db2.gz DLZQYNLMLIOAPV-CYBMUJFWSA-N 1 2 269.348 1.396 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ocnc1C ZINC001050851995 745833713 /nfs/dbraw/zinc/83/37/13/745833713.db2.gz JQXRQHAEYDNSMM-ZDUSSCGKSA-N 1 2 293.367 1.380 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ocnc1C ZINC001050851995 745833714 /nfs/dbraw/zinc/83/37/14/745833714.db2.gz JQXRQHAEYDNSMM-ZDUSSCGKSA-N 1 2 293.367 1.380 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cn[nH]n2)C1 ZINC001025470332 745845760 /nfs/dbraw/zinc/84/57/60/745845760.db2.gz WHNOKROZCCTRGA-GHMZBOCLSA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cn[nH]n2)C1 ZINC001025470332 745845761 /nfs/dbraw/zinc/84/57/61/745845761.db2.gz WHNOKROZCCTRGA-GHMZBOCLSA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cnn[nH]2)C1 ZINC001025470332 745845762 /nfs/dbraw/zinc/84/57/62/745845762.db2.gz WHNOKROZCCTRGA-GHMZBOCLSA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cnn[nH]2)C1 ZINC001025470332 745845763 /nfs/dbraw/zinc/84/57/63/745845763.db2.gz WHNOKROZCCTRGA-GHMZBOCLSA-N 1 2 297.790 1.388 20 30 CDEDLO N#CCc1cccc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)n1 ZINC000881142630 745851147 /nfs/dbraw/zinc/85/11/47/745851147.db2.gz JPRHZIXFGBLCAD-NSHDSACASA-N 1 2 282.307 1.091 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCc3cccnc32)C1 ZINC001043665608 745858970 /nfs/dbraw/zinc/85/89/70/745858970.db2.gz YRUACMPDGIZDGV-OAHLLOKOSA-N 1 2 285.391 1.830 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](CC(C)C)C1 ZINC000884133569 745870416 /nfs/dbraw/zinc/87/04/16/745870416.db2.gz CTMDATOXEMFSEU-STQMWFEESA-N 1 2 282.384 1.328 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001030394428 745871862 /nfs/dbraw/zinc/87/18/62/745871862.db2.gz FGSCBRPFQPPFIN-GFCCVEGCSA-N 1 2 293.411 1.010 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(C2CC2)o1 ZINC001038353623 745888458 /nfs/dbraw/zinc/88/84/58/745888458.db2.gz GKAVXUCKYHPSNH-LBPRGKRZSA-N 1 2 273.336 1.379 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(C2CC2)o1 ZINC001038353623 745888459 /nfs/dbraw/zinc/88/84/59/745888459.db2.gz GKAVXUCKYHPSNH-LBPRGKRZSA-N 1 2 273.336 1.379 20 30 CDEDLO N#CCSCC(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC000842891603 745895658 /nfs/dbraw/zinc/89/56/58/745895658.db2.gz YQPQCGAFSIZSPN-UHFFFAOYSA-N 1 2 277.349 1.318 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CCOC2(C[NH+](CC)C2)C1 ZINC001053370579 745912588 /nfs/dbraw/zinc/91/25/88/745912588.db2.gz MIZDRAKAZYLIRV-UHFFFAOYSA-N 1 2 266.385 1.522 20 30 CDEDLO CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)c2[nH]ncc2F)CC1 ZINC001016813000 745948288 /nfs/dbraw/zinc/94/82/88/745948288.db2.gz WYZZRVAPYGIEJP-LBPRGKRZSA-N 1 2 290.342 1.156 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2ncccc2c1 ZINC001038667459 745987794 /nfs/dbraw/zinc/98/77/94/745987794.db2.gz SHQIWPHEBPUZHQ-OAHLLOKOSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2ncccc2c1 ZINC001038667459 745987797 /nfs/dbraw/zinc/98/77/97/745987797.db2.gz SHQIWPHEBPUZHQ-OAHLLOKOSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(F)C(F)(F)F ZINC001032417151 746026425 /nfs/dbraw/zinc/02/64/25/746026425.db2.gz SIUVKMRLWIMSQV-LPEHRKFASA-N 1 2 278.249 1.195 20 30 CDEDLO C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(F)C(F)(F)F ZINC001032417151 746026432 /nfs/dbraw/zinc/02/64/32/746026432.db2.gz SIUVKMRLWIMSQV-LPEHRKFASA-N 1 2 278.249 1.195 20 30 CDEDLO C#CCOc1ccc(C[N@@H+](C)[C@H](C)CS(C)(=O)=O)cc1 ZINC000093384763 746076719 /nfs/dbraw/zinc/07/67/19/746076719.db2.gz OCJOXTXBDDUAEF-CYBMUJFWSA-N 1 2 295.404 1.564 20 30 CDEDLO C#CCOc1ccc(C[N@H+](C)[C@H](C)CS(C)(=O)=O)cc1 ZINC000093384763 746076724 /nfs/dbraw/zinc/07/67/24/746076724.db2.gz OCJOXTXBDDUAEF-CYBMUJFWSA-N 1 2 295.404 1.564 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2Cc3ccc(F)cc32)C1 ZINC001043651216 746084645 /nfs/dbraw/zinc/08/46/45/746084645.db2.gz IWSWDFYJBJZMDL-HNNXBMFYSA-N 1 2 274.339 1.794 20 30 CDEDLO C[NH+]1CCC(C#N)(NC(=O)c2cc(F)cc(F)c2O)CC1 ZINC000932178645 746187181 /nfs/dbraw/zinc/18/71/81/746187181.db2.gz PUJCJODKXHMWJR-UHFFFAOYSA-N 1 2 295.289 1.388 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(F)c2F)C1 ZINC001030864569 746201013 /nfs/dbraw/zinc/20/10/13/746201013.db2.gz MPEQNIRTVZULET-UHFFFAOYSA-N 1 2 264.275 1.402 20 30 CDEDLO C[C@H](C#N)OCC[NH+]1CCN(C2=NC[C@H](C)S2)CC1 ZINC000801935080 746237184 /nfs/dbraw/zinc/23/71/84/746237184.db2.gz WQBCUKOCGWMGQL-NEPJUHHUSA-N 1 2 282.413 1.024 20 30 CDEDLO Cc1nc(NC[C@H]2CCN(C(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001060824866 746305569 /nfs/dbraw/zinc/30/55/69/746305569.db2.gz KQEQKJXKTNHLBX-ZYHUDNBSSA-N 1 2 273.340 1.205 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CCC(C)(C)C)C1 ZINC000885511343 746325592 /nfs/dbraw/zinc/32/55/92/746325592.db2.gz GGRIFSMVZMBCBF-CYBMUJFWSA-N 1 2 286.441 1.440 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCC(C)(C)C)C1 ZINC000885511343 746325595 /nfs/dbraw/zinc/32/55/95/746325595.db2.gz GGRIFSMVZMBCBF-CYBMUJFWSA-N 1 2 286.441 1.440 20 30 CDEDLO C=C(C)C[C@H](CO)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000882903326 746374375 /nfs/dbraw/zinc/37/43/75/746374375.db2.gz ZXAINHLODCBNIM-ZYHUDNBSSA-N 1 2 251.330 1.032 20 30 CDEDLO C=C(C)C[C@H](CO)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000882903326 746374380 /nfs/dbraw/zinc/37/43/80/746374380.db2.gz ZXAINHLODCBNIM-ZYHUDNBSSA-N 1 2 251.330 1.032 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001017683288 746385023 /nfs/dbraw/zinc/38/50/23/746385023.db2.gz IBVZLXFRROGXPV-LEOABGAYSA-N 1 2 272.392 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001017683288 746385029 /nfs/dbraw/zinc/38/50/29/746385029.db2.gz IBVZLXFRROGXPV-LEOABGAYSA-N 1 2 272.392 1.731 20 30 CDEDLO C=CCCCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867472349 746395944 /nfs/dbraw/zinc/39/59/44/746395944.db2.gz PFXXQHJJWRSJTF-VOTSOKGWSA-N 1 2 252.358 1.347 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn[nH]n3)C[C@@H]21 ZINC001042126871 746441178 /nfs/dbraw/zinc/44/11/78/746441178.db2.gz HUDSAPAFXCHMDG-PWSUYJOCSA-N 1 2 295.774 1.094 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cn[nH]n3)C[C@@H]21 ZINC001042126871 746441179 /nfs/dbraw/zinc/44/11/79/746441179.db2.gz HUDSAPAFXCHMDG-PWSUYJOCSA-N 1 2 295.774 1.094 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1oc(C2CC2)nc1C ZINC001032672884 746575833 /nfs/dbraw/zinc/57/58/33/746575833.db2.gz MNDQQVOZGXZMHF-STQMWFEESA-N 1 2 287.363 1.945 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1oc(C2CC2)nc1C ZINC001032672884 746575855 /nfs/dbraw/zinc/57/58/55/746575855.db2.gz MNDQQVOZGXZMHF-STQMWFEESA-N 1 2 287.363 1.945 20 30 CDEDLO COCCS(=O)(=O)CCC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000852320189 746577600 /nfs/dbraw/zinc/57/76/00/746577600.db2.gz XIECLSPLLVBBGS-ZDUSSCGKSA-N 1 2 288.413 1.063 20 30 CDEDLO COCCS(=O)(=O)CCC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000852320189 746577611 /nfs/dbraw/zinc/57/76/11/746577611.db2.gz XIECLSPLLVBBGS-ZDUSSCGKSA-N 1 2 288.413 1.063 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccccn1)O2 ZINC001053553824 746695517 /nfs/dbraw/zinc/69/55/17/746695517.db2.gz UZIJZCSQKSIYGB-ZDUSSCGKSA-N 1 2 287.363 1.231 20 30 CDEDLO C[N@H+](CCOCCC#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000815015384 746710857 /nfs/dbraw/zinc/71/08/57/746710857.db2.gz 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746821110 /nfs/dbraw/zinc/82/11/10/746821110.db2.gz ZGYGMYQHTRIECO-LBPRGKRZSA-N 1 2 296.802 1.973 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]c(C)nc1C ZINC001028145910 746821111 /nfs/dbraw/zinc/82/11/11/746821111.db2.gz ZGYGMYQHTRIECO-LBPRGKRZSA-N 1 2 296.802 1.973 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(C)nc2)C1 ZINC001016258790 746824234 /nfs/dbraw/zinc/82/42/34/746824234.db2.gz JDKZCJGNUHMJIF-CQSZACIVSA-N 1 2 293.798 1.876 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(C)nc2)C1 ZINC001016258790 746824235 /nfs/dbraw/zinc/82/42/35/746824235.db2.gz JDKZCJGNUHMJIF-CQSZACIVSA-N 1 2 293.798 1.876 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCC[C@H]2OC)C1 ZINC001030559725 746842900 /nfs/dbraw/zinc/84/29/00/746842900.db2.gz DHKIWFORXFPKHK-CHWSQXEVSA-N 1 2 252.358 1.178 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccn(C(C)C)n2)C1 ZINC001035526309 746846945 /nfs/dbraw/zinc/84/69/45/746846945.db2.gz IBSYXJRQCXZQMM-CYBMUJFWSA-N 1 2 292.383 1.081 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccn(C(C)C)n2)C1 ZINC001035526309 746846949 /nfs/dbraw/zinc/84/69/49/746846949.db2.gz IBSYXJRQCXZQMM-CYBMUJFWSA-N 1 2 292.383 1.081 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C2(c3ccccn3)CC2)C1 ZINC001030307522 746852978 /nfs/dbraw/zinc/85/29/78/746852978.db2.gz XIOOROAMDGFZRK-UHFFFAOYSA-N 1 2 271.364 1.490 20 30 CDEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccco3)C[C@@H]21 ZINC001074115030 746854038 /nfs/dbraw/zinc/85/40/38/746854038.db2.gz LOWOYQCRHUVDSR-UONOGXRCSA-N 1 2 290.363 1.771 20 30 CDEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccco3)C[C@@H]21 ZINC001074115030 746854039 /nfs/dbraw/zinc/85/40/39/746854039.db2.gz LOWOYQCRHUVDSR-UONOGXRCSA-N 1 2 290.363 1.771 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2oc(C3CC3)nc2C)C1 ZINC000923566356 746877170 /nfs/dbraw/zinc/87/71/70/746877170.db2.gz PEHVAXLCUKTWIF-ZDUSSCGKSA-N 1 2 287.363 1.688 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2oc(C3CC3)nc2C)C1 ZINC000923566356 746877171 /nfs/dbraw/zinc/87/71/71/746877171.db2.gz PEHVAXLCUKTWIF-ZDUSSCGKSA-N 1 2 287.363 1.688 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@H]1CCCC ZINC000884122791 746880541 /nfs/dbraw/zinc/88/05/41/746880541.db2.gz ZMCHVFHHRSKSDV-HZSPNIEDSA-N 1 2 296.411 1.908 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(F)c(F)c2)C1 ZINC001035401410 746881570 /nfs/dbraw/zinc/88/15/70/746881570.db2.gz JAKPAWMFJFMMSN-LBPRGKRZSA-N 1 2 296.317 1.581 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(F)c(F)c2)C1 ZINC001035401410 746881571 /nfs/dbraw/zinc/88/15/71/746881571.db2.gz JAKPAWMFJFMMSN-LBPRGKRZSA-N 1 2 296.317 1.581 20 30 CDEDLO CC(C)CN1CC[N@H+](C[C@H](O)CC2(C#N)CCC2)CC1=O ZINC000886147310 746882719 /nfs/dbraw/zinc/88/27/19/746882719.db2.gz PBBDRYZCFLNTRR-CQSZACIVSA-N 1 2 293.411 1.231 20 30 CDEDLO CC(C)CN1CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)CC1=O ZINC000886147310 746882720 /nfs/dbraw/zinc/88/27/20/746882720.db2.gz PBBDRYZCFLNTRR-CQSZACIVSA-N 1 2 293.411 1.231 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1ccccc1C ZINC000884052720 746889476 /nfs/dbraw/zinc/88/94/76/746889476.db2.gz YTBBQHSNGCILDN-AWEZNQCLSA-N 1 2 290.363 1.400 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)nn1 ZINC001027877514 746897442 /nfs/dbraw/zinc/89/74/42/746897442.db2.gz JMPKORLGVRFPCU-GFCCVEGCSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)nn1 ZINC001027877514 746897444 /nfs/dbraw/zinc/89/74/44/746897444.db2.gz JMPKORLGVRFPCU-GFCCVEGCSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(C)CONC(=O)CSCC[NH+](CC)CC ZINC000846537373 746898554 /nfs/dbraw/zinc/89/85/54/746898554.db2.gz LNLZAQWHORVNOD-UHFFFAOYSA-N 1 2 260.403 1.685 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1csc(C2CC2)n1 ZINC001039074965 746908158 /nfs/dbraw/zinc/90/81/58/746908158.db2.gz QAHFBMDAELAQDM-GFCCVEGCSA-N 1 2 289.404 1.848 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1csc(C2CC2)n1 ZINC001039074965 746908166 /nfs/dbraw/zinc/90/81/66/746908166.db2.gz QAHFBMDAELAQDM-GFCCVEGCSA-N 1 2 289.404 1.848 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001006779866 746923263 /nfs/dbraw/zinc/92/32/63/746923263.db2.gz DSNSILQBUOHONQ-STQMWFEESA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001006779866 746923269 /nfs/dbraw/zinc/92/32/69/746923269.db2.gz DSNSILQBUOHONQ-STQMWFEESA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cn(C)nc2C)C1 ZINC001042539570 746929280 /nfs/dbraw/zinc/92/92/80/746929280.db2.gz JHSLJVIPJYGTAB-UHFFFAOYSA-N 1 2 262.357 1.061 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)c(C)cn1 ZINC001017756502 746952509 /nfs/dbraw/zinc/95/25/09/746952509.db2.gz MWHPSGWAWWAMOX-GASCZTMLSA-N 1 2 283.375 1.620 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)c(C)cn1 ZINC001017756502 746952522 /nfs/dbraw/zinc/95/25/22/746952522.db2.gz MWHPSGWAWWAMOX-GASCZTMLSA-N 1 2 283.375 1.620 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc(C(=O)NC)c2)C1 ZINC001031410435 746955853 /nfs/dbraw/zinc/95/58/53/746955853.db2.gz FKKHOVCZKUMBHX-UHFFFAOYSA-N 1 2 287.363 1.036 20 30 CDEDLO C#CCSCC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000889325545 747064070 /nfs/dbraw/zinc/06/40/70/747064070.db2.gz PQEZMYXXRDCZMN-UHFFFAOYSA-N 1 2 287.388 1.668 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@]23CCO[C@@H]2CCCC3)C1 ZINC001030663856 747164602 /nfs/dbraw/zinc/16/46/02/747164602.db2.gz IPMLVOXUIAMUOO-GDBMZVCRSA-N 1 2 276.380 1.159 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(F)cc1C ZINC001038941640 747223073 /nfs/dbraw/zinc/22/30/73/747223073.db2.gz CRTBQZSFHDTRMH-ZDUSSCGKSA-N 1 2 260.312 1.571 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(F)cc1C ZINC001038941640 747223092 /nfs/dbraw/zinc/22/30/92/747223092.db2.gz CRTBQZSFHDTRMH-ZDUSSCGKSA-N 1 2 260.312 1.571 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cccc(C)c2)C1 ZINC001030879337 747241926 /nfs/dbraw/zinc/24/19/26/747241926.db2.gz IBKZNRXIMGAOHX-UHFFFAOYSA-N 1 2 258.365 1.914 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccnc(C)n2)C1 ZINC001033676069 747253283 /nfs/dbraw/zinc/25/32/83/747253283.db2.gz UQXCLVGEGHLCNG-LBPRGKRZSA-N 1 2 294.786 1.684 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccnc(C)n2)C1 ZINC001033676069 747253304 /nfs/dbraw/zinc/25/33/04/747253304.db2.gz UQXCLVGEGHLCNG-LBPRGKRZSA-N 1 2 294.786 1.684 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#CC ZINC001032676814 747275261 /nfs/dbraw/zinc/27/52/61/747275261.db2.gz GHRVCNMNVGPYAQ-VGWMRTNUSA-N 1 2 288.391 1.276 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#CC ZINC001032676814 747275266 /nfs/dbraw/zinc/27/52/66/747275266.db2.gz GHRVCNMNVGPYAQ-VGWMRTNUSA-N 1 2 288.391 1.276 20 30 CDEDLO C#CCOCC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1C ZINC000851936741 747282817 /nfs/dbraw/zinc/28/28/17/747282817.db2.gz VNTOTESRKURXBK-OAHLLOKOSA-N 1 2 272.348 1.118 20 30 CDEDLO C#CCOCC[N@H+]1CCNC(=O)[C@H]1c1ccccc1C ZINC000851936741 747282826 /nfs/dbraw/zinc/28/28/26/747282826.db2.gz VNTOTESRKURXBK-OAHLLOKOSA-N 1 2 272.348 1.118 20 30 CDEDLO C#CCOC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000796013752 747303391 /nfs/dbraw/zinc/30/33/91/747303391.db2.gz HVPIPSPXUHZJNX-UHFFFAOYSA-N 1 2 264.231 1.799 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001035617318 747336590 /nfs/dbraw/zinc/33/65/90/747336590.db2.gz RMUHGLXIJGOKGS-SSHXOBKSSA-N 1 2 292.423 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001035617318 747336596 /nfs/dbraw/zinc/33/65/96/747336596.db2.gz RMUHGLXIJGOKGS-SSHXOBKSSA-N 1 2 292.423 1.816 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)n(C)nc1Cl ZINC001038976216 747349220 /nfs/dbraw/zinc/34/92/20/747349220.db2.gz NZXKSIWBDDAJCZ-NSHDSACASA-N 1 2 294.786 1.209 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)n(C)nc1Cl ZINC001038976216 747349229 /nfs/dbraw/zinc/34/92/29/747349229.db2.gz NZXKSIWBDDAJCZ-NSHDSACASA-N 1 2 294.786 1.209 20 30 CDEDLO C=CCC[NH+]1CC(N(C)C(=O)c2cnc(COC)s2)C1 ZINC001044374148 747358164 /nfs/dbraw/zinc/35/81/64/747358164.db2.gz KETXNVWUEJXHAW-UHFFFAOYSA-N 1 2 295.408 1.622 20 30 CDEDLO C=C[C@@](C)(O)c1cn(Cc2ccc(C)[nH+]c2C)nn1 ZINC000881327701 747378955 /nfs/dbraw/zinc/37/89/55/747378955.db2.gz SCAYZDLWTVYRPZ-CQSZACIVSA-N 1 2 258.325 1.732 20 30 CDEDLO C#CCC[C@H](O)CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000799074316 747410356 /nfs/dbraw/zinc/41/03/56/747410356.db2.gz FVDFZJVZWNEYOS-INIZCTEOSA-N 1 2 297.358 1.436 20 30 CDEDLO C[C@@H]([NH2+][C@H]1CCN(C(=O)C#CC2CC2)C1)c1csnn1 ZINC001018826614 747478937 /nfs/dbraw/zinc/47/89/37/747478937.db2.gz IFNOHDDKQDATQA-PWSUYJOCSA-N 1 2 290.392 1.203 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)CC2=CCOCC2)C1 ZINC001043762571 747502522 /nfs/dbraw/zinc/50/25/22/747502522.db2.gz ZHGKYCTUHFDMLH-UHFFFAOYSA-N 1 2 250.342 1.052 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cnc(C)o2)C1 ZINC001014706070 747548183 /nfs/dbraw/zinc/54/81/83/747548183.db2.gz OCOKDEKLPAGXAS-NSHDSACASA-N 1 2 283.759 1.469 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cnc(C)o2)C1 ZINC001014706070 747548203 /nfs/dbraw/zinc/54/82/03/747548203.db2.gz OCOKDEKLPAGXAS-NSHDSACASA-N 1 2 283.759 1.469 20 30 CDEDLO CO[C@@]1(C)CCC[N@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000794653177 747617461 /nfs/dbraw/zinc/61/74/61/747617461.db2.gz CJZMJUZLLZPRFD-HNNXBMFYSA-N 1 2 275.352 1.487 20 30 CDEDLO CO[C@@]1(C)CCC[N@@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000794653177 747617485 /nfs/dbraw/zinc/61/74/85/747617485.db2.gz CJZMJUZLLZPRFD-HNNXBMFYSA-N 1 2 275.352 1.487 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CC(C)C)C[C@@H]21 ZINC001074148458 747672477 /nfs/dbraw/zinc/67/24/77/747672477.db2.gz VOGVFPLHBPTFKD-GJZGRUSLSA-N 1 2 278.396 1.358 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC(C)C)C[C@@H]21 ZINC001074148458 747672495 /nfs/dbraw/zinc/67/24/95/747672495.db2.gz VOGVFPLHBPTFKD-GJZGRUSLSA-N 1 2 278.396 1.358 20 30 CDEDLO C[C@H](N[NH+]=Cc1cnc(N(C)C)nc1)C(F)(F)F ZINC000834998083 747706353 /nfs/dbraw/zinc/70/63/53/747706353.db2.gz BWNBUHPKFAXTJO-ZETCQYMHSA-N 1 2 261.251 1.417 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)cn1 ZINC001017495974 747740546 /nfs/dbraw/zinc/74/05/46/747740546.db2.gz LVENFHISGVNBGO-OKILXGFUSA-N 1 2 287.338 1.533 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)cn1 ZINC001017495974 747740561 /nfs/dbraw/zinc/74/05/61/747740561.db2.gz LVENFHISGVNBGO-OKILXGFUSA-N 1 2 287.338 1.533 20 30 CDEDLO C[C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CCN1CC#N ZINC000947449673 747806530 /nfs/dbraw/zinc/80/65/30/747806530.db2.gz IDSRGXGMHXFCKY-WCQYABFASA-N 1 2 297.362 1.669 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2CCC[C@H](OC)C2)C1 ZINC001030417588 747807908 /nfs/dbraw/zinc/80/79/08/747807908.db2.gz RQFWXLSOVKJOPC-JSGCOSHPSA-N 1 2 266.385 1.568 20 30 CDEDLO C=CCC(F)(F)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000816334038 747810807 /nfs/dbraw/zinc/81/08/07/747810807.db2.gz IBHMAKIIIHILHW-UHFFFAOYSA-N 1 2 276.327 1.113 20 30 CDEDLO C=CCC(F)(F)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000816334038 747810809 /nfs/dbraw/zinc/81/08/09/747810809.db2.gz IBHMAKIIIHILHW-UHFFFAOYSA-N 1 2 276.327 1.113 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cccnc2C)C1 ZINC001035490236 747840876 /nfs/dbraw/zinc/84/08/76/747840876.db2.gz XKQAHJYVWNVTIC-ZDUSSCGKSA-N 1 2 275.352 1.007 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cccnc2C)C1 ZINC001035490236 747840877 /nfs/dbraw/zinc/84/08/77/747840877.db2.gz XKQAHJYVWNVTIC-ZDUSSCGKSA-N 1 2 275.352 1.007 20 30 CDEDLO C=C(Br)CN1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000128927475 747847359 /nfs/dbraw/zinc/84/73/59/747847359.db2.gz YQXXXBMPEGASRP-TXEJJXNPSA-N 1 2 291.233 1.936 20 30 CDEDLO C=C(Br)CN1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000128927475 747847360 /nfs/dbraw/zinc/84/73/60/747847360.db2.gz YQXXXBMPEGASRP-TXEJJXNPSA-N 1 2 291.233 1.936 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2ccnc2c1 ZINC001032517403 747866916 /nfs/dbraw/zinc/86/69/16/747866916.db2.gz OBZFLZQPWNGSFA-GJZGRUSLSA-N 1 2 294.358 1.256 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2ccnc2c1 ZINC001032517403 747866917 /nfs/dbraw/zinc/86/69/17/747866917.db2.gz OBZFLZQPWNGSFA-GJZGRUSLSA-N 1 2 294.358 1.256 20 30 CDEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C)[nH]1 ZINC001017416197 747869366 /nfs/dbraw/zinc/86/93/66/747869366.db2.gz XLLYGZUHXJFOGV-BETUJISGSA-N 1 2 274.368 1.583 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C)[nH]1 ZINC001017416197 747869367 /nfs/dbraw/zinc/86/93/67/747869367.db2.gz XLLYGZUHXJFOGV-BETUJISGSA-N 1 2 274.368 1.583 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2c[nH]nc2C)CC1 ZINC001001016208 747889537 /nfs/dbraw/zinc/88/95/37/747889537.db2.gz IIZRETUAIAWSDO-UHFFFAOYSA-N 1 2 294.786 1.833 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2c[nH]nc2C)CC1 ZINC001001016208 747889541 /nfs/dbraw/zinc/88/95/41/747889541.db2.gz IIZRETUAIAWSDO-UHFFFAOYSA-N 1 2 294.786 1.833 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2nc[nH]n2)CC[C@@H]1C ZINC001071975602 747933998 /nfs/dbraw/zinc/93/39/98/747933998.db2.gz XOWOBMJRYRDFIS-WDEREUQCSA-N 1 2 297.790 1.069 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2nc[nH]n2)CC[C@@H]1C ZINC001071975602 747934015 /nfs/dbraw/zinc/93/40/15/747934015.db2.gz XOWOBMJRYRDFIS-WDEREUQCSA-N 1 2 297.790 1.069 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(F)cc1F ZINC001038977717 748039384 /nfs/dbraw/zinc/03/93/84/748039384.db2.gz AAUISWWQDSDYQS-NSHDSACASA-N 1 2 264.275 1.402 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(F)cc1F ZINC001038977717 748039393 /nfs/dbraw/zinc/03/93/93/748039393.db2.gz AAUISWWQDSDYQS-NSHDSACASA-N 1 2 264.275 1.402 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1n[nH]cc1C ZINC001050907461 748049433 /nfs/dbraw/zinc/04/94/33/748049433.db2.gz YOAYDBNDVMVEKG-CYBMUJFWSA-N 1 2 292.383 1.115 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1n[nH]cc1C ZINC001050907461 748049436 /nfs/dbraw/zinc/04/94/36/748049436.db2.gz YOAYDBNDVMVEKG-CYBMUJFWSA-N 1 2 292.383 1.115 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](c1cnn(C)c1)C(C)C ZINC000885417535 748053370 /nfs/dbraw/zinc/05/33/70/748053370.db2.gz RYHDQYSDEZNONM-LSDHHAIUSA-N 1 2 288.395 1.331 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](c1cnn(C)c1)C(C)C ZINC000885417535 748053375 /nfs/dbraw/zinc/05/33/75/748053375.db2.gz RYHDQYSDEZNONM-LSDHHAIUSA-N 1 2 288.395 1.331 20 30 CDEDLO C#CCOc1ccccc1C[NH2+]Cc1cn(C)cn1 ZINC000808388502 748065412 /nfs/dbraw/zinc/06/54/12/748065412.db2.gz HZOISCVUERBOFT-UHFFFAOYSA-N 1 2 255.321 1.722 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccn(C)c2CC)C1 ZINC001035507507 748068060 /nfs/dbraw/zinc/06/80/60/748068060.db2.gz JGJRPDFPWFIWFS-ZDUSSCGKSA-N 1 2 291.395 1.204 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccn(C)c2CC)C1 ZINC001035507507 748068071 /nfs/dbraw/zinc/06/80/71/748068071.db2.gz JGJRPDFPWFIWFS-ZDUSSCGKSA-N 1 2 291.395 1.204 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cncnc2)C1 ZINC001033033087 748084696 /nfs/dbraw/zinc/08/46/96/748084696.db2.gz PDLGHZTZCSYQDI-GFCCVEGCSA-N 1 2 280.759 1.375 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cncnc2)C1 ZINC001033033087 748084705 /nfs/dbraw/zinc/08/47/05/748084705.db2.gz PDLGHZTZCSYQDI-GFCCVEGCSA-N 1 2 280.759 1.375 20 30 CDEDLO CN(C)c1[nH+]cc(CN=Nc2ccc(Cl)nn2)n1C ZINC000811630011 748117051 /nfs/dbraw/zinc/11/70/51/748117051.db2.gz PTBPNFYDWQBEMS-UHFFFAOYSA-N 1 2 279.735 1.376 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2ncccn2)CC1 ZINC001003832433 748158166 /nfs/dbraw/zinc/15/81/66/748158166.db2.gz ZDMZZZXIFRAAEY-UHFFFAOYSA-N 1 2 280.759 1.423 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)NCCc1ccc(C#N)cc1 ZINC000852342116 748179961 /nfs/dbraw/zinc/17/99/61/748179961.db2.gz GUCKXUCYQNGABG-UHFFFAOYSA-N 1 2 283.335 1.334 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001035280813 748223769 /nfs/dbraw/zinc/22/37/69/748223769.db2.gz FSSHLCZLRWTOAH-LSDHHAIUSA-N 1 2 278.396 1.736 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001035280813 748223787 /nfs/dbraw/zinc/22/37/87/748223787.db2.gz FSSHLCZLRWTOAH-LSDHHAIUSA-N 1 2 278.396 1.736 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc(C)ccc1OC ZINC001032504202 748238454 /nfs/dbraw/zinc/23/84/54/748238454.db2.gz NMCDNKWIAIIBRA-HOTGVXAUSA-N 1 2 298.386 1.464 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc(C)ccc1OC ZINC001032504202 748238465 /nfs/dbraw/zinc/23/84/65/748238465.db2.gz NMCDNKWIAIIBRA-HOTGVXAUSA-N 1 2 298.386 1.464 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cccc(Cl)c2)C1 ZINC001035591352 748246530 /nfs/dbraw/zinc/24/65/30/748246530.db2.gz JLZGYZGWJRCOQH-CQSZACIVSA-N 1 2 294.782 1.957 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cccc(Cl)c2)C1 ZINC001035591352 748246543 /nfs/dbraw/zinc/24/65/43/748246543.db2.gz JLZGYZGWJRCOQH-CQSZACIVSA-N 1 2 294.782 1.957 20 30 CDEDLO C[C@H]1C[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015546080 748314932 /nfs/dbraw/zinc/31/49/32/748314932.db2.gz QDMNSJBUEUNMDC-RCBQFDQVSA-N 1 2 283.375 1.905 20 30 CDEDLO C[C@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015546080 748314940 /nfs/dbraw/zinc/31/49/40/748314940.db2.gz QDMNSJBUEUNMDC-RCBQFDQVSA-N 1 2 283.375 1.905 20 30 CDEDLO O=C(C=Cc1[nH]cc[nH+]1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000826402882 748316653 /nfs/dbraw/zinc/31/66/53/748316653.db2.gz FBEBBCBPDWKUBP-ARJAWSKDSA-N 1 2 284.254 1.625 20 30 CDEDLO N#C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)C1CCCCC1 ZINC000866344222 748329560 /nfs/dbraw/zinc/32/95/60/748329560.db2.gz RQKFYNKUVKCEFY-SZTZYQKNSA-N 1 2 291.395 1.463 20 30 CDEDLO C#CCC1(O)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000882529578 748365928 /nfs/dbraw/zinc/36/59/28/748365928.db2.gz OLTVWMYHVPZUQH-CYBMUJFWSA-N 1 2 275.352 1.211 20 30 CDEDLO CS[C@H](C)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004349205 748379777 /nfs/dbraw/zinc/37/97/77/748379777.db2.gz HLDKGOUHZIKEFX-TZMCWYRMSA-N 1 2 295.452 1.964 20 30 CDEDLO CS[C@H](C)C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004349205 748379785 /nfs/dbraw/zinc/37/97/85/748379785.db2.gz HLDKGOUHZIKEFX-TZMCWYRMSA-N 1 2 295.452 1.964 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](CC)C(N)=O ZINC001029422011 748397602 /nfs/dbraw/zinc/39/76/02/748397602.db2.gz QNDMXMYSGMXYQC-XQQFMLRXSA-N 1 2 293.411 1.138 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](CC)C(N)=O ZINC001029422011 748397610 /nfs/dbraw/zinc/39/76/10/748397610.db2.gz QNDMXMYSGMXYQC-XQQFMLRXSA-N 1 2 293.411 1.138 20 30 CDEDLO Cn1nnc2cc(C[N@@H+]3CCC[C@@H](C#N)C3)ccc21 ZINC000932157958 748460039 /nfs/dbraw/zinc/46/00/39/748460039.db2.gz WJYSMEQPVUYQDA-LBPRGKRZSA-N 1 2 255.325 1.704 20 30 CDEDLO Cn1nnc2cc(C[N@H+]3CCC[C@@H](C#N)C3)ccc21 ZINC000932157958 748460052 /nfs/dbraw/zinc/46/00/52/748460052.db2.gz WJYSMEQPVUYQDA-LBPRGKRZSA-N 1 2 255.325 1.704 20 30 CDEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)SC)C2)CC1 ZINC001051989459 748472812 /nfs/dbraw/zinc/47/28/12/748472812.db2.gz GRAGEIXTJCYCDG-ZIAGYGMSSA-N 1 2 297.468 1.142 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCC(=O)NCC2CCC2)ccc1F ZINC000108847456 748554292 /nfs/dbraw/zinc/55/42/92/748554292.db2.gz SFGLIZSQVDUECZ-UHFFFAOYSA-N 1 2 293.342 1.687 20 30 CDEDLO C=CCN1CCN(C[N@@H+]2CCc3ccsc3C2)C1=O ZINC000840038981 748739651 /nfs/dbraw/zinc/73/96/51/748739651.db2.gz QNRRVBFCRCWRBG-UHFFFAOYSA-N 1 2 277.393 1.987 20 30 CDEDLO C=CCN1CCN(C[N@H+]2CCc3ccsc3C2)C1=O ZINC000840038981 748739669 /nfs/dbraw/zinc/73/96/69/748739669.db2.gz QNRRVBFCRCWRBG-UHFFFAOYSA-N 1 2 277.393 1.987 20 30 CDEDLO C[C@@H]1CCCCN1C(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000092914825 748749956 /nfs/dbraw/zinc/74/99/56/748749956.db2.gz JJRNLKMIMRCORI-GFCCVEGCSA-N 1 2 290.367 1.314 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)n[nH]c1C(C)C ZINC001038903335 748750715 /nfs/dbraw/zinc/75/07/15/748750715.db2.gz NAEYQASMKVPEKI-LBPRGKRZSA-N 1 2 276.384 1.832 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)n[nH]c1C(C)C ZINC001038903335 748750719 /nfs/dbraw/zinc/75/07/19/748750719.db2.gz NAEYQASMKVPEKI-LBPRGKRZSA-N 1 2 276.384 1.832 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(C(C)(C)C)n1 ZINC001038240442 748760810 /nfs/dbraw/zinc/76/08/10/748760810.db2.gz JFKGNRZWUBNVEA-LLVKDONJSA-N 1 2 275.352 1.409 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(C(C)(C)C)n1 ZINC001038240442 748760815 /nfs/dbraw/zinc/76/08/15/748760815.db2.gz JFKGNRZWUBNVEA-LLVKDONJSA-N 1 2 275.352 1.409 20 30 CDEDLO C#CCC[N@H+]1CCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001072757383 748769061 /nfs/dbraw/zinc/76/90/61/748769061.db2.gz GJAQDJVHSVXYJM-JTQLQIEISA-N 1 2 292.276 1.444 20 30 CDEDLO C#CCC[N@@H+]1CCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001072757383 748769074 /nfs/dbraw/zinc/76/90/74/748769074.db2.gz GJAQDJVHSVXYJM-JTQLQIEISA-N 1 2 292.276 1.444 20 30 CDEDLO C#CCC[N@H+]1CCC2(CN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001072757383 748769086 /nfs/dbraw/zinc/76/90/86/748769086.db2.gz GJAQDJVHSVXYJM-JTQLQIEISA-N 1 2 292.276 1.444 20 30 CDEDLO C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001072757383 748769101 /nfs/dbraw/zinc/76/91/01/748769101.db2.gz GJAQDJVHSVXYJM-JTQLQIEISA-N 1 2 292.276 1.444 20 30 CDEDLO C#CCOc1ccccc1C[NH2+]Cc1cn(C)nn1 ZINC000389831916 748823617 /nfs/dbraw/zinc/82/36/17/748823617.db2.gz HXWKLGSKWRHCCK-UHFFFAOYSA-N 1 2 256.309 1.117 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cn(C)cn2)CC[C@H]1C ZINC001071435490 748835081 /nfs/dbraw/zinc/83/50/81/748835081.db2.gz XLSTZEMDEWORPA-VXGBXAGGSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cn(C)cn2)CC[C@H]1C ZINC001071435490 748835086 /nfs/dbraw/zinc/83/50/86/748835086.db2.gz XLSTZEMDEWORPA-VXGBXAGGSA-N 1 2 296.802 1.755 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1ncc(CC)s1)[C@@H]1CCCO1 ZINC000775345859 748852416 /nfs/dbraw/zinc/85/24/16/748852416.db2.gz QRPZIIBOOFVGGK-NEPJUHHUSA-N 1 2 250.367 1.976 20 30 CDEDLO COC(=O)[C@@](C)([NH2+]C[C@H](O)CC1(C#N)CCC1)C1CC1 ZINC000886099990 748935232 /nfs/dbraw/zinc/93/52/32/748935232.db2.gz BPBLZDKDUGCCFZ-OCCSQVGLSA-N 1 2 280.368 1.363 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2)C1 ZINC001035274908 748935975 /nfs/dbraw/zinc/93/59/75/748935975.db2.gz SDYSEGKYSSEEPE-CQSZACIVSA-N 1 2 260.337 1.303 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccccc2)C1 ZINC001035274908 748935986 /nfs/dbraw/zinc/93/59/86/748935986.db2.gz SDYSEGKYSSEEPE-CQSZACIVSA-N 1 2 260.337 1.303 20 30 CDEDLO CCc1nc(CN2CC[NH+](C[C@H](O)CC#N)CC2)cs1 ZINC000929897495 748941636 /nfs/dbraw/zinc/94/16/36/748941636.db2.gz RGNQMBZBWMCYLA-CYBMUJFWSA-N 1 2 294.424 1.098 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCc2ccc(NC(C)=O)cc2C1 ZINC000880029008 748944130 /nfs/dbraw/zinc/94/41/30/748944130.db2.gz NVSRZYBEUWKGKB-GFCCVEGCSA-N 1 2 299.374 1.141 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCc2ccc(NC(C)=O)cc2C1 ZINC000880029008 748944143 /nfs/dbraw/zinc/94/41/43/748944143.db2.gz NVSRZYBEUWKGKB-GFCCVEGCSA-N 1 2 299.374 1.141 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccsn1 ZINC001050976260 748951037 /nfs/dbraw/zinc/95/10/37/748951037.db2.gz RQHYZFIYEFSXEJ-NSHDSACASA-N 1 2 281.381 1.150 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccsn1 ZINC001050976260 748951043 /nfs/dbraw/zinc/95/10/43/748951043.db2.gz RQHYZFIYEFSXEJ-NSHDSACASA-N 1 2 281.381 1.150 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001031608111 748957424 /nfs/dbraw/zinc/95/74/24/748957424.db2.gz PZHMMVNVXSNVDW-UHFFFAOYSA-N 1 2 281.743 1.201 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2COC[C@H]2c2ccccc2)C1 ZINC001030557304 748982914 /nfs/dbraw/zinc/98/29/14/748982914.db2.gz BQGBOJFHBNTLHO-IRXDYDNUSA-N 1 2 298.386 1.240 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c(C)ccn2C)C1 ZINC001035348487 748987768 /nfs/dbraw/zinc/98/77/68/748987768.db2.gz QTNTVHOFTZTVTH-CQSZACIVSA-N 1 2 291.395 1.340 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2c(C)ccn2C)C1 ZINC001035348487 748987775 /nfs/dbraw/zinc/98/77/75/748987775.db2.gz QTNTVHOFTZTVTH-CQSZACIVSA-N 1 2 291.395 1.340 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@]2(C)CCC[C@H]2C)C1 ZINC001043774837 749006897 /nfs/dbraw/zinc/00/68/97/749006897.db2.gz NPISSUDRRDVTQB-CZUORRHYSA-N 1 2 262.397 1.979 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(Cl)cn2)C1 ZINC001035582825 749024348 /nfs/dbraw/zinc/02/43/48/749024348.db2.gz KBNKNMRCMJPOBJ-LBPRGKRZSA-N 1 2 295.770 1.352 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(Cl)cn2)C1 ZINC001035582825 749024351 /nfs/dbraw/zinc/02/43/51/749024351.db2.gz KBNKNMRCMJPOBJ-LBPRGKRZSA-N 1 2 295.770 1.352 20 30 CDEDLO C=C[C@H](C)ONC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000845639042 749038254 /nfs/dbraw/zinc/03/82/54/749038254.db2.gz NESGVTZITDYQKV-LBPRGKRZSA-N 1 2 276.340 1.419 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H]2CCCCO2)C1 ZINC001042598935 749066322 /nfs/dbraw/zinc/06/63/22/749066322.db2.gz GZKJFWWBCPJPIT-CQSZACIVSA-N 1 2 266.385 1.664 20 30 CDEDLO N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049527225 749078491 /nfs/dbraw/zinc/07/84/91/749078491.db2.gz NTMVFJKWMIYOIT-RJZRQDKASA-N 1 2 299.378 1.102 20 30 CDEDLO N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049527225 749078496 /nfs/dbraw/zinc/07/84/96/749078496.db2.gz NTMVFJKWMIYOIT-RJZRQDKASA-N 1 2 299.378 1.102 20 30 CDEDLO C#C[C@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)[C@H]1CCCO1 ZINC000775798650 749082548 /nfs/dbraw/zinc/08/25/48/749082548.db2.gz HYSIKRGRMSDXFS-ARFHVFGLSA-N 1 2 286.375 1.586 20 30 CDEDLO O=C(C#CC1CC1)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccon1 ZINC001049456477 749082811 /nfs/dbraw/zinc/08/28/11/749082811.db2.gz MHXNIPOGMFVYKB-JKSUJKDBSA-N 1 2 299.374 1.653 20 30 CDEDLO O=C(C#CC1CC1)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ccon1 ZINC001049456477 749082813 /nfs/dbraw/zinc/08/28/13/749082813.db2.gz MHXNIPOGMFVYKB-JKSUJKDBSA-N 1 2 299.374 1.653 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC(F)(F)C1 ZINC001032346438 749091173 /nfs/dbraw/zinc/09/11/73/749091173.db2.gz HPJOPPFUNVJUTO-RYUDHWBXSA-N 1 2 268.307 1.340 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC(F)(F)C1 ZINC001032346438 749091176 /nfs/dbraw/zinc/09/11/76/749091176.db2.gz HPJOPPFUNVJUTO-RYUDHWBXSA-N 1 2 268.307 1.340 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCO[C@@H]2CC)C1 ZINC001042883907 749095828 /nfs/dbraw/zinc/09/58/28/749095828.db2.gz DHWZZPAQZILSBZ-LSDHHAIUSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2c(F)cncc2F)C1 ZINC001030379569 749114736 /nfs/dbraw/zinc/11/47/36/749114736.db2.gz HOCTXCQNQZZBSO-UHFFFAOYSA-N 1 2 267.279 1.350 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](Cc3ccccc3)C2)nc1 ZINC001031278101 749120115 /nfs/dbraw/zinc/12/01/15/749120115.db2.gz DSWSIPITKKCGJR-UHFFFAOYSA-N 1 2 291.354 1.677 20 30 CDEDLO Cn1ncc2c1nc[nH+]c2NCc1ccc(OCC#N)cc1 ZINC000068906746 749180217 /nfs/dbraw/zinc/18/02/17/749180217.db2.gz ZGGJMFWPGYGUFS-UHFFFAOYSA-N 1 2 294.318 1.878 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(F)(F)CC=C)C1 ZINC000923559802 749216642 /nfs/dbraw/zinc/21/66/42/749216642.db2.gz TVDLDCHYRQBSQJ-LLVKDONJSA-N 1 2 256.296 1.412 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(F)(F)CC=C)C1 ZINC000923559802 749216644 /nfs/dbraw/zinc/21/66/44/749216644.db2.gz TVDLDCHYRQBSQJ-LLVKDONJSA-N 1 2 256.296 1.412 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cncc(CC)c1 ZINC001038514680 749232776 /nfs/dbraw/zinc/23/27/76/749232776.db2.gz QLFADDPXSXEZGB-HNNXBMFYSA-N 1 2 271.364 1.471 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cncc(CC)c1 ZINC001038514680 749232787 /nfs/dbraw/zinc/23/27/87/749232787.db2.gz QLFADDPXSXEZGB-HNNXBMFYSA-N 1 2 271.364 1.471 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2COc3ccccc3C2)C1 ZINC001030640508 749255422 /nfs/dbraw/zinc/25/54/22/749255422.db2.gz DVEUQDFOIPRVKI-CQSZACIVSA-N 1 2 284.359 1.061 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C)C(C)C ZINC000854068737 749268629 /nfs/dbraw/zinc/26/86/29/749268629.db2.gz LPLQUCRHVZHAEY-RDBSUJKOSA-N 1 2 281.400 1.053 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C)C(C)C ZINC000854068737 749268633 /nfs/dbraw/zinc/26/86/33/749268633.db2.gz LPLQUCRHVZHAEY-RDBSUJKOSA-N 1 2 281.400 1.053 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCCOC1 ZINC001032706329 749271013 /nfs/dbraw/zinc/27/10/13/749271013.db2.gz JSEJOWGSALKYHJ-KKUMJFAQSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCCOC1 ZINC001032706329 749271019 /nfs/dbraw/zinc/27/10/19/749271019.db2.gz JSEJOWGSALKYHJ-KKUMJFAQSA-N 1 2 276.380 1.112 20 30 CDEDLO C=C(C)C[C@@H](CO)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000882897646 749274758 /nfs/dbraw/zinc/27/47/58/749274758.db2.gz OQMVEJBBYVLDOQ-LBPRGKRZSA-N 1 2 286.335 1.324 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1c(C)cccc1C ZINC000884048606 749314524 /nfs/dbraw/zinc/31/45/24/749314524.db2.gz PWPQXNDMXFAMBY-LBPRGKRZSA-N 1 2 276.336 1.689 20 30 CDEDLO C[C@@H](CO)N(C)N=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000842542836 749330108 /nfs/dbraw/zinc/33/01/08/749330108.db2.gz DOEOPXCMBASLCT-LBPRGKRZSA-N 1 2 258.325 1.519 20 30 CDEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)CC2CCCCC2)CC1 ZINC000049043751 1166527378 /nfs/dbraw/zinc/52/73/78/1166527378.db2.gz YJGFYUZKYFNVMC-UHFFFAOYSA-N 1 2 299.440 1.474 20 30 CDEDLO CC[C@H](C(=O)NC[C@@H](C)C#N)[N@@H+]1CCO[C@H](CC)C1 ZINC001565775527 1168167111 /nfs/dbraw/zinc/16/71/11/1168167111.db2.gz CJQYGIWNOFPYDF-YNEHKIRRSA-N 1 2 267.373 1.152 20 30 CDEDLO CC[C@H](C(=O)NC[C@@H](C)C#N)[N@H+]1CCO[C@H](CC)C1 ZINC001565775527 1168167116 /nfs/dbraw/zinc/16/71/16/1168167116.db2.gz CJQYGIWNOFPYDF-YNEHKIRRSA-N 1 2 267.373 1.152 20 30 CDEDLO CC(C)[NH+]1CC(NC(=O)[C@@H](C#N)Cc2cccs2)C1 ZINC001177916567 915026105 /nfs/dbraw/zinc/02/61/05/915026105.db2.gz XOECOBQOCDRWBL-LLVKDONJSA-N 1 2 277.393 1.639 20 30 CDEDLO CC(C)[C@](C)(C#N)[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173735049 912759225 /nfs/dbraw/zinc/75/92/25/912759225.db2.gz QZCVYHZODIBJHI-AGIUHOORSA-N 1 2 262.361 1.685 20 30 CDEDLO N#Cc1ncc(Cl)cc1NCC1([NH+]2CCCC2)COC1 ZINC001168451316 913422622 /nfs/dbraw/zinc/42/26/22/913422622.db2.gz IMTKNDFSIRATEL-UHFFFAOYSA-N 1 2 292.770 1.883 20 30 CDEDLO N#Cc1cc(F)cc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)c1 ZINC001139875495 893898129 /nfs/dbraw/zinc/89/81/29/893898129.db2.gz QRDCLLGOVQTKAJ-ZDUSSCGKSA-N 1 2 277.318 1.925 20 30 CDEDLO N#Cc1cc(F)cc(CN2CC([N@H+]3CC[C@H](F)C3)C2)c1 ZINC001139875495 893898150 /nfs/dbraw/zinc/89/81/50/893898150.db2.gz QRDCLLGOVQTKAJ-ZDUSSCGKSA-N 1 2 277.318 1.925 20 30 CDEDLO Nc1ccccc1C(NO)=[NH+]c1cnn(C2CC2)c1 ZINC001175962722 913860586 /nfs/dbraw/zinc/86/05/86/913860586.db2.gz REUWBWCWIMGPED-UHFFFAOYSA-N 1 2 257.297 1.857 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nnc(C)o2)C1 ZINC001266515418 895186518 /nfs/dbraw/zinc/18/65/18/895186518.db2.gz YJWQNIHEQBOLIF-JQWIXIFHSA-N 1 2 278.356 1.596 20 30 CDEDLO C=C(C)C(=O)NCCCNc1ccn2cc(N)[nH+]c2c1 ZINC001167668351 897353653 /nfs/dbraw/zinc/35/36/53/897353653.db2.gz ZYZANXLSEMEVOK-UHFFFAOYSA-N 1 2 273.340 1.411 20 30 CDEDLO COCc1noc([C@H](C)O[NH+]=C(N)Cc2cccnc2)n1 ZINC000182943832 899616207 /nfs/dbraw/zinc/61/62/07/899616207.db2.gz CQYOETDWLNBGOO-VIFPVBQESA-N 1 2 291.311 1.204 20 30 CDEDLO C=CCCCC(=O)N1CC(n2cc(C[NH2+]CCF)nn2)C1 ZINC001105316954 900138934 /nfs/dbraw/zinc/13/89/34/900138934.db2.gz AVVXEKQFOOSLSJ-UHFFFAOYSA-N 1 2 295.362 1.077 20 30 CDEDLO C=C(Cl)C[NH2+]CCNC(=O)c1ccc2[nH]nnc2c1 ZINC001150703264 914661725 /nfs/dbraw/zinc/66/17/25/914661725.db2.gz KCROPQZPFHCWQK-UHFFFAOYSA-N 1 2 279.731 1.030 20 30 CDEDLO O=C(NC1=CC(=O)CCC1)[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177627138 914810881 /nfs/dbraw/zinc/81/08/81/914810881.db2.gz GUTANMUOCDXMDS-HNNXBMFYSA-N 1 2 288.347 1.997 20 30 CDEDLO O=C(NC1=CC(=O)CCC1)[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC001177627138 914810892 /nfs/dbraw/zinc/81/08/92/914810892.db2.gz GUTANMUOCDXMDS-HNNXBMFYSA-N 1 2 288.347 1.997 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@](C)(F)CCCC)[C@H](OC)C1 ZINC001212489844 921280265 /nfs/dbraw/zinc/28/02/65/921280265.db2.gz WCOPSMWINPNQOG-FMKPAKJESA-N 1 2 298.402 1.744 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@](C)(F)CCCC)[C@H](OC)C1 ZINC001212489844 921280266 /nfs/dbraw/zinc/28/02/66/921280266.db2.gz WCOPSMWINPNQOG-FMKPAKJESA-N 1 2 298.402 1.744 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nc(C2CCC2)no1 ZINC001128413707 921297902 /nfs/dbraw/zinc/29/79/02/921297902.db2.gz KVDSUNJWGJVDEV-UHFFFAOYSA-N 1 2 292.383 1.899 20 30 CDEDLO C[C@@H]1[C@@H](NC(=O)C(F)F)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088438632 907212004 /nfs/dbraw/zinc/21/20/04/907212004.db2.gz NMZSFEVBAJRGHX-KCJUWKMLSA-N 1 2 299.346 1.964 20 30 CDEDLO C[C@@H]1[C@@H](NC(=O)C(F)F)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088438632 907212024 /nfs/dbraw/zinc/21/20/24/907212024.db2.gz NMZSFEVBAJRGHX-KCJUWKMLSA-N 1 2 299.346 1.964 20 30 CDEDLO C=C[C@@H](C)[C@H](C)C(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128448722 921305623 /nfs/dbraw/zinc/30/56/23/921305623.db2.gz WAEQAZYKRIPEHH-OLZOCXBDSA-N 1 2 290.411 1.793 20 30 CDEDLO C=C[C@@H](C)[C@H](C)C(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128448722 921305624 /nfs/dbraw/zinc/30/56/24/921305624.db2.gz WAEQAZYKRIPEHH-OLZOCXBDSA-N 1 2 290.411 1.793 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccncc1 ZINC001482576834 907341114 /nfs/dbraw/zinc/34/11/14/907341114.db2.gz YKFWLDSLRZIUCO-UHFFFAOYSA-N 1 2 267.760 1.838 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccncc1 ZINC001482576834 907341129 /nfs/dbraw/zinc/34/11/29/907341129.db2.gz YKFWLDSLRZIUCO-UHFFFAOYSA-N 1 2 267.760 1.838 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(CC)n[nH]2)[C@H]1C ZINC001088473919 907396355 /nfs/dbraw/zinc/39/63/55/907396355.db2.gz NSNIFZKUWQPCHU-PWSUYJOCSA-N 1 2 296.802 1.917 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(CC)n[nH]2)[C@H]1C ZINC001088473919 907396371 /nfs/dbraw/zinc/39/63/71/907396371.db2.gz NSNIFZKUWQPCHU-PWSUYJOCSA-N 1 2 296.802 1.917 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cnn(C)c2)[C@H]1C ZINC001088485529 907453356 /nfs/dbraw/zinc/45/33/56/907453356.db2.gz OPXGXXWMNQPCTR-YPMHNXCESA-N 1 2 296.802 1.294 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cnn(C)c2)[C@H]1C ZINC001088485529 907453359 /nfs/dbraw/zinc/45/33/59/907453359.db2.gz OPXGXXWMNQPCTR-YPMHNXCESA-N 1 2 296.802 1.294 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc[nH]n2)C1 ZINC001032923874 921497849 /nfs/dbraw/zinc/49/78/49/921497849.db2.gz HUUZMRVEECEFLT-SNVBAGLBSA-N 1 2 268.748 1.309 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc[nH]n2)C1 ZINC001032923874 921497854 /nfs/dbraw/zinc/49/78/54/921497854.db2.gz HUUZMRVEECEFLT-SNVBAGLBSA-N 1 2 268.748 1.309 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CC(C)C)CC2)C1 ZINC001093500436 909918874 /nfs/dbraw/zinc/91/88/74/909918874.db2.gz XBKGSLRLMVFHPA-UHFFFAOYSA-N 1 2 280.412 1.910 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@H]1CCc2c(F)cccc2C1 ZINC001171420629 910071975 /nfs/dbraw/zinc/07/19/75/910071975.db2.gz CSNSUZYJUODLJO-STQMWFEESA-N 1 2 259.328 1.480 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001094011145 910260260 /nfs/dbraw/zinc/26/02/60/910260260.db2.gz AQGANPGGMLNFTO-HNNXBMFYSA-N 1 2 292.383 1.542 20 30 CDEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2cccnc2)CC1 ZINC001204075485 910995716 /nfs/dbraw/zinc/99/57/16/910995716.db2.gz GLXCAUCOFDEUBZ-UHFFFAOYSA-N 1 2 273.336 1.750 20 30 CDEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccncc2)CC1 ZINC001204081216 911153805 /nfs/dbraw/zinc/15/38/05/911153805.db2.gz KAGUIQLNENFWGQ-UHFFFAOYSA-N 1 2 273.336 1.750 20 30 CDEDLO C=CC[C@@](C)([NH2+][C@@H]1CCN(CC)C(=O)C1)C(=O)OC ZINC001172040918 911171064 /nfs/dbraw/zinc/17/10/64/911171064.db2.gz GXULGSZEVBFZMJ-BXUZGUMPSA-N 1 2 268.357 1.095 20 30 CDEDLO CCn1nnc2c1CC[N@H+]([C@@H](C)CCCC#N)[C@@H]2COC ZINC001172495760 911730514 /nfs/dbraw/zinc/73/05/14/911730514.db2.gz HOYRJXHLYOMSTR-GXTWGEPZSA-N 1 2 291.399 1.926 20 30 CDEDLO CCn1nnc2c1CC[N@@H+]([C@@H](C)CCCC#N)[C@@H]2COC ZINC001172495760 911730519 /nfs/dbraw/zinc/73/05/19/911730519.db2.gz HOYRJXHLYOMSTR-GXTWGEPZSA-N 1 2 291.399 1.926 20 30 CDEDLO C=CC[C@@](C)([NH2+][C@H]1CCC[C@H](C(=O)OC)C1)C(=O)OC ZINC001172611135 911786736 /nfs/dbraw/zinc/78/67/36/911786736.db2.gz LXWQFYUUUQJWBR-SLEUVZQESA-N 1 2 283.368 1.816 20 30 CDEDLO C=C[C@H]1C[C@]1([NH2+]C1CCN(C(=O)OC)CC1)C(=O)OCC ZINC001172733678 911870930 /nfs/dbraw/zinc/87/09/30/911870930.db2.gz ZGVAELRFHDRSIW-XHDPSFHLSA-N 1 2 296.367 1.315 20 30 CDEDLO N#C[C@H](Cc1cccs1)C(=O)NCCn1cc[nH+]c1 ZINC001177903210 915010375 /nfs/dbraw/zinc/01/03/75/915010375.db2.gz AAXXWBBHPWVHMT-NSHDSACASA-N 1 2 274.349 1.443 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1[nH]c(C)nc1C ZINC001485351635 916872581 /nfs/dbraw/zinc/87/25/81/916872581.db2.gz GUAJAFDEQUGIAH-SECBINFHSA-N 1 2 284.791 1.829 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1[nH]c(C)nc1C ZINC001485351635 916872587 /nfs/dbraw/zinc/87/25/87/916872587.db2.gz GUAJAFDEQUGIAH-SECBINFHSA-N 1 2 284.791 1.829 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001097794129 936380712 /nfs/dbraw/zinc/38/07/12/936380712.db2.gz KAXUJJAZHLKRJM-QMTHXVAHSA-N 1 2 278.356 1.029 20 30 CDEDLO C=CCCC(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001124650946 917517960 /nfs/dbraw/zinc/51/79/60/917517960.db2.gz NZUCHGPNQHJUCS-SECBINFHSA-N 1 2 252.318 1.111 20 30 CDEDLO CC(C)c1nsc(C[NH2+]CCNC(=O)[C@H](C)C#N)n1 ZINC001124902279 917741641 /nfs/dbraw/zinc/74/16/41/917741641.db2.gz IPHUVGYBCQOFMG-SECBINFHSA-N 1 2 281.385 1.027 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2C(F)(F)F)CC1 ZINC001182324734 917780609 /nfs/dbraw/zinc/78/06/09/917780609.db2.gz QFOBXPFMCPLWBX-ZJUUUORDSA-N 1 2 262.275 1.515 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC001182932488 918239970 /nfs/dbraw/zinc/23/99/70/918239970.db2.gz KIXLESPBZBLIHZ-GFCCVEGCSA-N 1 2 292.383 1.679 20 30 CDEDLO C=CCC[C@H](C)[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127730977 918240777 /nfs/dbraw/zinc/24/07/77/918240777.db2.gz BVYVLKSREIJLDL-DTWKUNHWSA-N 1 2 270.270 1.947 20 30 CDEDLO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H](F)C(F)(F)F ZINC001127730977 918240792 /nfs/dbraw/zinc/24/07/92/918240792.db2.gz BVYVLKSREIJLDL-DTWKUNHWSA-N 1 2 270.270 1.947 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C#N)Cc2ccc(O)cc2)CC1 ZINC001183610348 918543419 /nfs/dbraw/zinc/54/34/19/918543419.db2.gz UXJZAOYVLVPPMU-OAHLLOKOSA-N 1 2 299.374 1.405 20 30 CDEDLO C#CCCCCC(=O)N[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001107694012 918625045 /nfs/dbraw/zinc/62/50/45/918625045.db2.gz DQPPNRDIGMJBJF-GFCCVEGCSA-N 1 2 274.368 1.895 20 30 CDEDLO C#CCCC1(CCNC(=O)CCc2ccc(N)[nH+]c2)N=N1 ZINC001183936690 918752562 /nfs/dbraw/zinc/75/25/62/918752562.db2.gz JBLXNKXPCXXCRX-UHFFFAOYSA-N 1 2 285.351 1.678 20 30 CDEDLO C=CCCC(=O)NC[C@]1(C)C[N@H+](CC#CC)CCO1 ZINC001107802549 918812636 /nfs/dbraw/zinc/81/26/36/918812636.db2.gz UFDPFBLBVPANQA-OAHLLOKOSA-N 1 2 264.369 1.183 20 30 CDEDLO C=CCCC(=O)NC[C@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001107802549 918812649 /nfs/dbraw/zinc/81/26/49/918812649.db2.gz UFDPFBLBVPANQA-OAHLLOKOSA-N 1 2 264.369 1.183 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C#CC(C)C)C1 ZINC001107927674 919052929 /nfs/dbraw/zinc/05/29/29/919052929.db2.gz ZGGUIFICDBGZEC-HNNXBMFYSA-N 1 2 264.369 1.039 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C#CC(C)C)C1 ZINC001107927674 919052942 /nfs/dbraw/zinc/05/29/42/919052942.db2.gz ZGGUIFICDBGZEC-HNNXBMFYSA-N 1 2 264.369 1.039 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)/C=C(\C)CC)C1 ZINC001107924994 919054957 /nfs/dbraw/zinc/05/49/57/919054957.db2.gz ONPASONQCZJEHN-UKYUDJEDSA-N 1 2 278.396 1.573 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)/C=C(\C)CC)C1 ZINC001107924994 919054973 /nfs/dbraw/zinc/05/49/73/919054973.db2.gz ONPASONQCZJEHN-UKYUDJEDSA-N 1 2 278.396 1.573 20 30 CDEDLO Nc1ncnc(Cl)c1C[NH+]1CCC(S)CC1 ZINC001139440976 936621271 /nfs/dbraw/zinc/62/12/71/936621271.db2.gz NZLXDAKYEAWRBA-UHFFFAOYSA-N 1 2 258.778 1.606 20 30 CDEDLO CC(=O)N1CCC2(C[NH+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001139528603 936626923 /nfs/dbraw/zinc/62/69/23/936626923.db2.gz RQKFCPDERZOVBA-UHFFFAOYSA-N 1 2 287.338 1.752 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnc(Cl)c(C)c2)CC1 ZINC001139546546 936627735 /nfs/dbraw/zinc/62/77/35/936627735.db2.gz KIJMRXLCMMGYAZ-UHFFFAOYSA-N 1 2 263.772 1.794 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC001078252395 920184248 /nfs/dbraw/zinc/18/42/48/920184248.db2.gz FSQPTKDJLHZBTE-INMHGKMJSA-N 1 2 290.407 1.308 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC001078252395 920184256 /nfs/dbraw/zinc/18/42/56/920184256.db2.gz FSQPTKDJLHZBTE-INMHGKMJSA-N 1 2 290.407 1.308 20 30 CDEDLO N#Cc1cccc2c(C[NH+]3CC(N4CC(F)C4)C3)c[nH]c21 ZINC001139701875 936637887 /nfs/dbraw/zinc/63/78/87/936637887.db2.gz RIAZQHCKGLFSJW-UHFFFAOYSA-N 1 2 284.338 1.877 20 30 CDEDLO CC(C)(C)C[N@@H+]1C[C@]2(F)CN(CCCC#N)C(=O)[C@]2(F)C1 ZINC001273531908 920263598 /nfs/dbraw/zinc/26/35/98/920263598.db2.gz BQOIPIYSHNHDII-LSDHHAIUSA-N 1 2 299.365 1.911 20 30 CDEDLO CC(C)(C)C[N@H+]1C[C@]2(F)CN(CCCC#N)C(=O)[C@]2(F)C1 ZINC001273531908 920263605 /nfs/dbraw/zinc/26/36/05/920263605.db2.gz BQOIPIYSHNHDII-LSDHHAIUSA-N 1 2 299.365 1.911 20 30 CDEDLO C#CCCC[N@H+]1C[C@]2(F)CN(CCCC)C(=O)[C@]2(F)C1 ZINC001273538412 920492116 /nfs/dbraw/zinc/49/21/16/920492116.db2.gz VNUJOMWFKZPVDC-LSDHHAIUSA-N 1 2 284.350 1.774 20 30 CDEDLO C#CCCC[N@@H+]1C[C@]2(F)CN(CCCC)C(=O)[C@]2(F)C1 ZINC001273538412 920492127 /nfs/dbraw/zinc/49/21/27/920492127.db2.gz VNUJOMWFKZPVDC-LSDHHAIUSA-N 1 2 284.350 1.774 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3CCC3)CC2)cn1 ZINC001140542715 936722876 /nfs/dbraw/zinc/72/28/76/936722876.db2.gz FXHDCCSFBLIYKY-UHFFFAOYSA-N 1 2 298.390 1.788 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)cn1 ZINC001140542715 936722878 /nfs/dbraw/zinc/72/28/78/936722878.db2.gz FXHDCCSFBLIYKY-UHFFFAOYSA-N 1 2 298.390 1.788 20 30 CDEDLO N#Cc1cccc(C(=O)NCCn2cc[nH+]c2)c1F ZINC001190528412 922044765 /nfs/dbraw/zinc/04/47/65/922044765.db2.gz ZRSNAGBLIOHIAO-UHFFFAOYSA-N 1 2 258.256 1.324 20 30 CDEDLO C[C@@]1(CO)CC[N@H+](Cc2cc(F)c(C#N)c(F)c2)C[C@H]1O ZINC001140753143 936750701 /nfs/dbraw/zinc/75/07/01/936750701.db2.gz YSMCDQFEMHJKFE-CABCVRRESA-N 1 2 296.317 1.402 20 30 CDEDLO C[C@@]1(CO)CC[N@@H+](Cc2cc(F)c(C#N)c(F)c2)C[C@H]1O ZINC001140753143 936750702 /nfs/dbraw/zinc/75/07/02/936750702.db2.gz YSMCDQFEMHJKFE-CABCVRRESA-N 1 2 296.317 1.402 20 30 CDEDLO C=C(Cl)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001098490927 936752352 /nfs/dbraw/zinc/75/23/52/936752352.db2.gz LTMKJYIYVXQGLH-UPJWGTAASA-N 1 2 294.786 1.357 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C/C=C(\C)C=C)C1 ZINC001108138395 922727273 /nfs/dbraw/zinc/72/72/73/922727273.db2.gz MNRYBFQJKPPQGO-SNQWNFELSA-N 1 2 278.396 1.902 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C/C=C(\C)C=C)C1 ZINC001108138395 922727284 /nfs/dbraw/zinc/72/72/84/922727284.db2.gz MNRYBFQJKPPQGO-SNQWNFELSA-N 1 2 278.396 1.902 20 30 CDEDLO C=CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC001192073444 922898104 /nfs/dbraw/zinc/89/81/04/922898104.db2.gz UGOZNCONYJCULF-HNNXBMFYSA-N 1 2 290.411 1.809 20 30 CDEDLO C=CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C)n2)C1 ZINC001192073444 922898112 /nfs/dbraw/zinc/89/81/12/922898112.db2.gz UGOZNCONYJCULF-HNNXBMFYSA-N 1 2 290.411 1.809 20 30 CDEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2ccns2)C[C@H]1O ZINC001099729608 936803926 /nfs/dbraw/zinc/80/39/26/936803926.db2.gz JVTXVQAQMWPECL-QWHCGFSZSA-N 1 2 295.408 1.161 20 30 CDEDLO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2ccns2)C[C@H]1O ZINC001099729608 936803928 /nfs/dbraw/zinc/80/39/28/936803928.db2.gz JVTXVQAQMWPECL-QWHCGFSZSA-N 1 2 295.408 1.161 20 30 CDEDLO C=C(C)CCC(=O)N[C@H]1CC[N@H+](CC(=C)Cl)C[C@@H]1O ZINC001099850552 936814200 /nfs/dbraw/zinc/81/42/00/936814200.db2.gz PTVSTHUPVCECNY-STQMWFEESA-N 1 2 286.803 1.647 20 30 CDEDLO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CC(=C)Cl)C[C@@H]1O ZINC001099850552 936814201 /nfs/dbraw/zinc/81/42/01/936814201.db2.gz PTVSTHUPVCECNY-STQMWFEESA-N 1 2 286.803 1.647 20 30 CDEDLO C[C@H](C#N)S(=O)(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC001193115523 923462436 /nfs/dbraw/zinc/46/24/36/923462436.db2.gz LRFYITINXPBREF-LLVKDONJSA-N 1 2 295.364 1.167 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+](Cc2nocc2C)C[C@H]1O ZINC001099723628 924705362 /nfs/dbraw/zinc/70/53/62/924705362.db2.gz IWVNGQIBYMERRZ-TZMCWYRMSA-N 1 2 293.367 1.001 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](Cc2nocc2C)C[C@H]1O ZINC001099723628 924705370 /nfs/dbraw/zinc/70/53/70/924705370.db2.gz IWVNGQIBYMERRZ-TZMCWYRMSA-N 1 2 293.367 1.001 20 30 CDEDLO C#CCOCCC(=O)N1CCC[N@@H+](CC(=C)Cl)CC1 ZINC001195824526 924748195 /nfs/dbraw/zinc/74/81/95/924748195.db2.gz STLHLYQJBUINDF-UHFFFAOYSA-N 1 2 284.787 1.313 20 30 CDEDLO C#CCOCCC(=O)N1CCC[N@H+](CC(=C)Cl)CC1 ZINC001195824526 924748198 /nfs/dbraw/zinc/74/81/98/924748198.db2.gz STLHLYQJBUINDF-UHFFFAOYSA-N 1 2 284.787 1.313 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(F)c2C)[C@H](OC)C1 ZINC001081709171 924781027 /nfs/dbraw/zinc/78/10/27/924781027.db2.gz FCZKTCARMRZEFV-HUUCEWRRSA-N 1 2 290.338 1.196 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(F)c2C)[C@H](OC)C1 ZINC001081709171 924781031 /nfs/dbraw/zinc/78/10/31/924781031.db2.gz FCZKTCARMRZEFV-HUUCEWRRSA-N 1 2 290.338 1.196 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(CCC)CC2)C1 ZINC001108192680 924970355 /nfs/dbraw/zinc/97/03/55/924970355.db2.gz QHTYZOVVMNVLSA-HNNXBMFYSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(CCC)CC2)C1 ZINC001108192680 924970363 /nfs/dbraw/zinc/97/03/63/924970363.db2.gz QHTYZOVVMNVLSA-HNNXBMFYSA-N 1 2 280.412 1.960 20 30 CDEDLO CCC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001082969004 925044095 /nfs/dbraw/zinc/04/40/95/925044095.db2.gz YNBNFBMKKWICJG-DLBZAZTESA-N 1 2 298.386 1.360 20 30 CDEDLO CCC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001082969004 925044102 /nfs/dbraw/zinc/04/41/02/925044102.db2.gz YNBNFBMKKWICJG-DLBZAZTESA-N 1 2 298.386 1.360 20 30 CDEDLO C#CCCCCC(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101565516 936989507 /nfs/dbraw/zinc/98/95/07/936989507.db2.gz UZCSDHCMIHINDZ-UHFFFAOYSA-N 1 2 274.368 1.849 20 30 CDEDLO Cn1nc(Br)cc1C[NH2+]CC1(C#N)CCC1 ZINC000841899601 937020878 /nfs/dbraw/zinc/02/08/78/937020878.db2.gz WZZWLXUAOBQQPX-UHFFFAOYSA-N 1 2 283.173 1.966 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCc2c[nH]nc21 ZINC001085597457 926200075 /nfs/dbraw/zinc/20/00/75/926200075.db2.gz YLUYKYBIKLUXBV-ZIAGYGMSSA-N 1 2 288.395 1.548 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCc2c[nH]nc21 ZINC001085597457 926200084 /nfs/dbraw/zinc/20/00/84/926200084.db2.gz YLUYKYBIKLUXBV-ZIAGYGMSSA-N 1 2 288.395 1.548 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccnn1C1CCC1 ZINC001085600553 926203627 /nfs/dbraw/zinc/20/36/27/926203627.db2.gz WJTLNMSMYWLAQT-CQSZACIVSA-N 1 2 286.379 1.388 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccnn1C1CCC1 ZINC001085600553 926203632 /nfs/dbraw/zinc/20/36/32/926203632.db2.gz WJTLNMSMYWLAQT-CQSZACIVSA-N 1 2 286.379 1.388 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccnn1C(C)C ZINC001085617911 926218636 /nfs/dbraw/zinc/21/86/36/926218636.db2.gz ZQJJBBGAGSPFRW-ZDUSSCGKSA-N 1 2 274.368 1.244 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccnn1C(C)C ZINC001085617911 926218640 /nfs/dbraw/zinc/21/86/40/926218640.db2.gz ZQJJBBGAGSPFRW-ZDUSSCGKSA-N 1 2 274.368 1.244 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)cncc1C ZINC001085721604 926324192 /nfs/dbraw/zinc/32/41/92/926324192.db2.gz AGONNOXGPQNBAD-CQSZACIVSA-N 1 2 271.364 1.478 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)cncc1C ZINC001085721604 926324196 /nfs/dbraw/zinc/32/41/96/926324196.db2.gz AGONNOXGPQNBAD-CQSZACIVSA-N 1 2 271.364 1.478 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1occ2c1CCC2 ZINC001085744472 926352787 /nfs/dbraw/zinc/35/27/87/926352787.db2.gz KSQQBEFFNZCVFL-ZDUSSCGKSA-N 1 2 272.348 1.548 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1occ2c1CCC2 ZINC001085744472 926352798 /nfs/dbraw/zinc/35/27/98/926352798.db2.gz KSQQBEFFNZCVFL-ZDUSSCGKSA-N 1 2 272.348 1.548 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ncoc1C1CC1 ZINC001085909407 926500849 /nfs/dbraw/zinc/50/08/49/926500849.db2.gz JAOMBBXSGCKJDE-GFCCVEGCSA-N 1 2 273.336 1.332 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncoc1C1CC1 ZINC001085909407 926500856 /nfs/dbraw/zinc/50/08/56/926500856.db2.gz JAOMBBXSGCKJDE-GFCCVEGCSA-N 1 2 273.336 1.332 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)C1CC[NH+](Cc2cnns2)CC1 ZINC001436664372 926604564 /nfs/dbraw/zinc/60/45/64/926604564.db2.gz PXIBIRJCTARVJI-SNVBAGLBSA-N 1 2 293.396 1.121 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)NC[C@H]3C[C@H](NCC#N)C3)ccn12 ZINC001086367162 927038683 /nfs/dbraw/zinc/03/86/83/927038683.db2.gz ZSPNZSOAQYNBPF-MQMHXKEQSA-N 1 2 297.362 1.264 20 30 CDEDLO C=CC[NH+]1CCN(Cc2scc3c2OCCO3)CC1 ZINC001143186909 937131562 /nfs/dbraw/zinc/13/15/62/937131562.db2.gz DSMVLMNNKKNTAL-UHFFFAOYSA-N 1 2 280.393 1.823 20 30 CDEDLO CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1ccc(C#N)cn1 ZINC001103335255 937137006 /nfs/dbraw/zinc/13/70/06/937137006.db2.gz YGKMQTBYBYQSMW-GFCCVEGCSA-N 1 2 298.350 1.226 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001108337808 927408584 /nfs/dbraw/zinc/40/85/84/927408584.db2.gz NQTQBGUDBBYZFE-IINYFYTJSA-N 1 2 278.356 1.029 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)C)C1 ZINC001108358717 927435817 /nfs/dbraw/zinc/43/58/17/927435817.db2.gz RUYOAZPWDZSURB-HNNXBMFYSA-N 1 2 266.385 1.263 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)C)C1 ZINC001108358717 927435821 /nfs/dbraw/zinc/43/58/21/927435821.db2.gz RUYOAZPWDZSURB-HNNXBMFYSA-N 1 2 266.385 1.263 20 30 CDEDLO Cc1nc(NC[C@H](C)NC(=O)C#CC2CC2)cc[nH+]1 ZINC001108358549 927436148 /nfs/dbraw/zinc/43/61/48/927436148.db2.gz OBFLAPCPVFOEFM-JTQLQIEISA-N 1 2 258.325 1.115 20 30 CDEDLO C#CCCCC(=O)NC[C@H]1C[N@H+](CC(=C)Cl)CCCO1 ZINC001149639976 937196859 /nfs/dbraw/zinc/19/68/59/937196859.db2.gz OTODEUPKYKLRMB-AWEZNQCLSA-N 1 2 298.814 1.750 20 30 CDEDLO C#CCCCC(=O)NC[C@H]1C[N@@H+](CC(=C)Cl)CCCO1 ZINC001149639976 937196861 /nfs/dbraw/zinc/19/68/61/937196861.db2.gz OTODEUPKYKLRMB-AWEZNQCLSA-N 1 2 298.814 1.750 20 30 CDEDLO Cc1nc2cc(Cl)ccc2c(N2CC[NH2+]C[C@@H]2C#N)n1 ZINC001156320347 928040371 /nfs/dbraw/zinc/04/03/71/928040371.db2.gz YKUPRBOHVFANBL-NSHDSACASA-N 1 2 287.754 1.893 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1nc(Cl)nc2c1CCCC2 ZINC001156321347 928049287 /nfs/dbraw/zinc/04/92/87/928049287.db2.gz ZWRLEDLOIWLEIC-VIFPVBQESA-N 1 2 277.759 1.311 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCO[C@@H](C)CC(C)C)CC1 ZINC001112839866 929484866 /nfs/dbraw/zinc/48/48/66/929484866.db2.gz XIALQYGPNOORHL-INIZCTEOSA-N 1 2 294.439 1.995 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](OCC)C2CC2)CC1 ZINC001112857455 929503284 /nfs/dbraw/zinc/50/32/84/929503284.db2.gz LGLRBRYSCFWMHT-AWEZNQCLSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CCCOCC(=O)NCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001153085498 937418562 /nfs/dbraw/zinc/41/85/62/937418562.db2.gz CXIZBRVBLOEOBU-GFCCVEGCSA-N 1 2 281.356 1.343 20 30 CDEDLO N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCF)[nH]1 ZINC001095327973 930482695 /nfs/dbraw/zinc/48/26/95/930482695.db2.gz ORWXQTVFNQULPK-WXHSDQCUSA-N 1 2 276.315 1.191 20 30 CDEDLO N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCF)[nH]1 ZINC001095327973 930482703 /nfs/dbraw/zinc/48/27/03/930482703.db2.gz ORWXQTVFNQULPK-WXHSDQCUSA-N 1 2 276.315 1.191 20 30 CDEDLO CN(CCCNC(=O)c1ccc(C#N)cn1)c1cccc[nH+]1 ZINC001153115019 937420342 /nfs/dbraw/zinc/42/03/42/937420342.db2.gz YZUGVKYBWXKPRL-UHFFFAOYSA-N 1 2 295.346 1.605 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)N(CCC#N)Cc1ccccn1 ZINC001649760231 1169343987 /nfs/dbraw/zinc/34/39/87/1169343987.db2.gz ZJLUUCDYAPQMPQ-UHFFFAOYSA-N 1 2 283.335 1.300 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170920497 930750570 /nfs/dbraw/zinc/75/05/70/930750570.db2.gz SAKOHRGMIWHFRD-CHWSQXEVSA-N 1 2 275.783 1.995 20 30 CDEDLO C=C[C@H]1C[C@@]1(Nc1c[nH+]c2c(c1)CCCN2)C(=O)OCC ZINC001170926489 930796572 /nfs/dbraw/zinc/79/65/72/930796572.db2.gz CCFKKCLNDJVKOZ-LRDDRELGSA-N 1 2 287.363 1.647 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc3nc(N)ccc32)CC1 ZINC001153805039 937472449 /nfs/dbraw/zinc/47/24/49/937472449.db2.gz BLNDSPWAUBJZIP-UHFFFAOYSA-N 1 2 296.374 1.761 20 30 CDEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCC#N ZINC001274031523 931131208 /nfs/dbraw/zinc/13/12/08/931131208.db2.gz SYPXLFHECJZELQ-HNNXBMFYSA-N 1 2 261.369 1.933 20 30 CDEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2CCC#N ZINC001274031523 931131211 /nfs/dbraw/zinc/13/12/11/931131211.db2.gz SYPXLFHECJZELQ-HNNXBMFYSA-N 1 2 261.369 1.933 20 30 CDEDLO N=C(Nc1ccn2cc(N)[nH+]c2c1)c1ccc(C(N)=O)cc1 ZINC001171257139 932163103 /nfs/dbraw/zinc/16/31/03/932163103.db2.gz YGRCZXGCBMLPRL-UHFFFAOYSA-N 1 2 294.318 1.052 20 30 CDEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1[nH+]cccc1[Si](C)(C)C ZINC001171362644 932864450 /nfs/dbraw/zinc/86/44/50/932864450.db2.gz KEPATCULFBWPGA-ONGXEEELSA-N 1 2 279.416 1.275 20 30 CDEDLO Cc1nc(NC2(CNC(=O)C#CC(C)C)CC2)cc[nH+]1 ZINC001110128186 932915052 /nfs/dbraw/zinc/91/50/52/932915052.db2.gz SFRMPEKMIYLTMX-UHFFFAOYSA-N 1 2 272.352 1.505 20 30 CDEDLO COCC#CC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC001118571726 937641562 /nfs/dbraw/zinc/64/15/62/937641562.db2.gz GTIZWXPJDTUUSI-UHFFFAOYSA-N 1 2 276.336 1.315 20 30 CDEDLO C#CC[N@H+](CN1CCN(C(=O)OC(C)(C)C)C1=O)C(C)C ZINC001119620935 937740429 /nfs/dbraw/zinc/74/04/29/937740429.db2.gz DMAIEHRDVRNCPN-UHFFFAOYSA-N 1 2 295.383 1.960 20 30 CDEDLO C#CC[N@@H+](CN1CCN(C(=O)OC(C)(C)C)C1=O)C(C)C ZINC001119620935 937740430 /nfs/dbraw/zinc/74/04/30/937740430.db2.gz DMAIEHRDVRNCPN-UHFFFAOYSA-N 1 2 295.383 1.960 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnns3)C[C@H]21 ZINC001114686611 934914457 /nfs/dbraw/zinc/91/44/57/934914457.db2.gz OOEZFOHJNUSRFR-GDNZZTSVSA-N 1 2 292.408 1.297 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnns3)C[C@H]21 ZINC001114686611 934914463 /nfs/dbraw/zinc/91/44/63/934914463.db2.gz OOEZFOHJNUSRFR-GDNZZTSVSA-N 1 2 292.408 1.297 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cnc(CC)s2)C1 ZINC001016387448 935612242 /nfs/dbraw/zinc/61/22/42/935612242.db2.gz KWCMZSBEOCLSFT-SNVBAGLBSA-N 1 2 263.366 1.143 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnc(CC)s2)C1 ZINC001016387448 935612245 /nfs/dbraw/zinc/61/22/45/935612245.db2.gz KWCMZSBEOCLSFT-SNVBAGLBSA-N 1 2 263.366 1.143 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)CCN2C ZINC001038893163 935760684 /nfs/dbraw/zinc/76/06/84/935760684.db2.gz YEOGDAWUYUVPOV-HNNXBMFYSA-N 1 2 283.375 1.116 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)CCN2C ZINC001038893163 935760688 /nfs/dbraw/zinc/76/06/88/935760688.db2.gz YEOGDAWUYUVPOV-HNNXBMFYSA-N 1 2 283.375 1.116 20 30 CDEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1snnc1C)C2 ZINC001096792029 936217885 /nfs/dbraw/zinc/21/78/85/936217885.db2.gz VUZUZWNCXNYFJD-UTUOFQBUSA-N 1 2 290.392 1.205 20 30 CDEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1snnc1C)C2 ZINC001096792029 936217890 /nfs/dbraw/zinc/21/78/90/936217890.db2.gz VUZUZWNCXNYFJD-UTUOFQBUSA-N 1 2 290.392 1.205 20 30 CDEDLO Cc1nc(N2CCC[C@H](CNC(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001097298598 936289590 /nfs/dbraw/zinc/28/95/90/936289590.db2.gz QZKMZJOYPPAYMB-WCQYABFASA-N 1 2 287.367 1.277 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1ccnc(Cl)c1 ZINC001156320700 938351549 /nfs/dbraw/zinc/35/15/49/938351549.db2.gz CYRJCORZXPZSEI-VIFPVBQESA-N 1 2 272.686 1.582 20 30 CDEDLO CC[C@H](C)c1nc2[nH]ccc2c(N2CC[NH2+]C[C@@H]2C#N)n1 ZINC001156333193 938353606 /nfs/dbraw/zinc/35/36/06/938353606.db2.gz WGQFKYJEHUQZOI-QWRGUYRKSA-N 1 2 284.367 1.773 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3cc(C#N)ccc3[nH]2)C1 ZINC001156463105 938370393 /nfs/dbraw/zinc/37/03/93/938370393.db2.gz ZURDIFJDRROZTN-ZDUSSCGKSA-N 1 2 298.346 1.100 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2cc3cc(C#N)ccc3[nH]2)C1 ZINC001156463105 938370395 /nfs/dbraw/zinc/37/03/95/938370395.db2.gz ZURDIFJDRROZTN-ZDUSSCGKSA-N 1 2 298.346 1.100 20 30 CDEDLO CC(=O)C=C(C)NC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156975865 938441492 /nfs/dbraw/zinc/44/14/92/938441492.db2.gz VUNMIAFWUXVYNK-ALCCZGGFSA-N 1 2 258.281 1.368 20 30 CDEDLO N#CCc1cc[nH+]c(N2CC[C@@H](Oc3cnccn3)C2)c1 ZINC001158366162 938615396 /nfs/dbraw/zinc/61/53/96/938615396.db2.gz AKWZBJNQNMUKAK-CYBMUJFWSA-N 1 2 281.319 1.595 20 30 CDEDLO O=C(N1CCC(C#Cc2ccccc2)CC1)C1(F)C[NH2+]C1 ZINC001161150444 938876820 /nfs/dbraw/zinc/87/68/20/938876820.db2.gz IPBWPZWBOYOLPW-UHFFFAOYSA-N 1 2 286.350 1.588 20 30 CDEDLO Cc1nc(C#N)cc(NC2CN(c3cccc[nH+]3)C2)n1 ZINC001161325985 938889734 /nfs/dbraw/zinc/88/97/34/938889734.db2.gz MAOLUJFBHKGFFI-UHFFFAOYSA-N 1 2 266.308 1.352 20 30 CDEDLO C=CC(C)(C)C(=O)NCCC[NH2+][C@H](C)c1noc(C)n1 ZINC001163953096 939361703 /nfs/dbraw/zinc/36/17/03/939361703.db2.gz HOWOXDGJHZLYCE-SNVBAGLBSA-N 1 2 280.372 1.747 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2ccc(CS)cc2)C[NH2+]1 ZINC001164312032 939451784 /nfs/dbraw/zinc/45/17/84/939451784.db2.gz KEOLZKLWYUNFGX-RYUDHWBXSA-N 1 2 266.366 1.432 20 30 CDEDLO CCOC(=O)c1cc2ccc(N3CC[NH2+]C[C@H]3C#N)nc2[nH]1 ZINC001164653014 939502412 /nfs/dbraw/zinc/50/24/12/939502412.db2.gz YRTDUKOMIMGVHG-LLVKDONJSA-N 1 2 299.334 1.041 20 30 CDEDLO N#CC[C@H]1CCCN(c2ccc(Cn3cncn3)c[nH+]2)C1 ZINC001166741679 939634542 /nfs/dbraw/zinc/63/45/42/939634542.db2.gz RGRRDJDVOPOUQP-CYBMUJFWSA-N 1 2 282.351 1.851 20 30 CDEDLO C[C@H](CC(=O)N1CCC(CNCC#N)CC1)n1cc[nH+]c1 ZINC001206431376 940038480 /nfs/dbraw/zinc/03/84/80/940038480.db2.gz OWCUQPHDKWESSL-CYBMUJFWSA-N 1 2 289.383 1.186 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2nccs2)C[C@H]1C ZINC001206640441 940074795 /nfs/dbraw/zinc/07/47/95/940074795.db2.gz GEFWCFWOPIADHL-HBNTYKKESA-N 1 2 278.381 1.239 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2nccs2)C[C@H]1C ZINC001206640441 940074799 /nfs/dbraw/zinc/07/47/99/940074799.db2.gz GEFWCFWOPIADHL-HBNTYKKESA-N 1 2 278.381 1.239 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2scnc2C)CC1 ZINC001206989912 940121846 /nfs/dbraw/zinc/12/18/46/940121846.db2.gz UZSFPLAYLQKDKY-UHFFFAOYSA-N 1 2 279.365 1.730 20 30 CDEDLO C=CCN(CC[NH+]1CC(C(=O)OC)C1)C(=O)OC(C)(C)C ZINC001207198645 940165551 /nfs/dbraw/zinc/16/55/51/940165551.db2.gz HUIQPKDDDBNPQV-UHFFFAOYSA-N 1 2 298.383 1.514 20 30 CDEDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cc(C#N)ccc1F ZINC001276531857 940192585 /nfs/dbraw/zinc/19/25/85/940192585.db2.gz PXHCUIRNRZUSKM-PHIMTYICSA-N 1 2 259.284 1.226 20 30 CDEDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cc(C#N)ccc1F ZINC001276531857 940192587 /nfs/dbraw/zinc/19/25/87/940192587.db2.gz PXHCUIRNRZUSKM-PHIMTYICSA-N 1 2 259.284 1.226 20 30 CDEDLO COc1cc(C[NH+]2CCC(C#N)CC2)cnc1OC ZINC001209614679 940617606 /nfs/dbraw/zinc/61/76/06/940617606.db2.gz YDWCTRPZCGQXJF-UHFFFAOYSA-N 1 2 261.325 1.834 20 30 CDEDLO Cn1ncc(C#N)c1Nc1ccccc1C[NH+]1CCOCC1 ZINC001209924651 940651460 /nfs/dbraw/zinc/65/14/60/940651460.db2.gz CMYGXQGLQFZVBO-UHFFFAOYSA-N 1 2 297.362 1.868 20 30 CDEDLO Nc1ccccc1C(NO)=[NH+]c1ccc(N)c([N+](=O)[O-])c1 ZINC001209937460 940653019 /nfs/dbraw/zinc/65/30/19/940653019.db2.gz GDVFCJNLBJKQNE-UHFFFAOYSA-N 1 2 287.279 1.816 20 30 CDEDLO N#CC[C@@H](OCC[NH+]1CCOCC1)c1ccccc1 ZINC001210207171 940671482 /nfs/dbraw/zinc/67/14/82/940671482.db2.gz LXHZGDVERWKRRQ-OAHLLOKOSA-N 1 2 260.337 1.990 20 30 CDEDLO C#Cc1cc(Nc2ccc(CO)c(OC)c2)cc[nH+]1 ZINC001216111079 940921827 /nfs/dbraw/zinc/92/18/27/940921827.db2.gz QIRGSZOVTKRUTL-UHFFFAOYSA-N 1 2 254.289 1.729 20 30 CDEDLO N#Cc1cc(F)c(NC(=O)[C@@H]2COCC[NH2+]2)c(Cl)c1 ZINC001218994947 941299095 /nfs/dbraw/zinc/29/90/95/941299095.db2.gz NCLSYDVVOWQDOH-JTQLQIEISA-N 1 2 283.690 1.278 20 30 CDEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](C[C@H](F)CC)C[C@@H]2O)CCC1 ZINC001220295365 941434027 /nfs/dbraw/zinc/43/40/27/941434027.db2.gz NDAKFMKDXIJHAX-MCIONIFRSA-N 1 2 298.402 1.642 20 30 CDEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](F)CC)C[C@@H]2O)CCC1 ZINC001220295365 941434031 /nfs/dbraw/zinc/43/40/31/941434031.db2.gz NDAKFMKDXIJHAX-MCIONIFRSA-N 1 2 298.402 1.642 20 30 CDEDLO Cc1cc(C#N)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)nc1C ZINC001225530363 941875183 /nfs/dbraw/zinc/87/51/83/941875183.db2.gz IRSQXDIIQHVADX-ABWMFPBJSA-N 1 2 285.347 1.561 20 30 CDEDLO Cc1cc(C#N)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)nc1C ZINC001225530363 941875187 /nfs/dbraw/zinc/87/51/87/941875187.db2.gz IRSQXDIIQHVADX-ABWMFPBJSA-N 1 2 285.347 1.561 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc4c(nn3)CCCC4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226558743 942026314 /nfs/dbraw/zinc/02/63/14/942026314.db2.gz OOONBMSLCBBFJE-UCHAVSLVSA-N 1 2 287.363 1.347 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc4c(nn3)CCCC4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226558743 942026316 /nfs/dbraw/zinc/02/63/16/942026316.db2.gz OOONBMSLCBBFJE-UCHAVSLVSA-N 1 2 287.363 1.347 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc4cc(C#N)ccc4[nH]3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227215665 942151636 /nfs/dbraw/zinc/15/16/36/942151636.db2.gz HCRYGTUBAKMBTR-BSRWDCPYSA-N 1 2 296.330 1.426 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc4cc(C#N)ccc4[nH]3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227215665 942151638 /nfs/dbraw/zinc/15/16/38/942151638.db2.gz HCRYGTUBAKMBTR-BSRWDCPYSA-N 1 2 296.330 1.426 20 30 CDEDLO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)nnc1Cl ZINC001229063718 942413583 /nfs/dbraw/zinc/41/35/83/942413583.db2.gz VHKLLRLBSALFLU-ADAFDVPTSA-N 1 2 281.743 1.430 20 30 CDEDLO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)nnc1Cl ZINC001229063718 942413591 /nfs/dbraw/zinc/41/35/91/942413591.db2.gz VHKLLRLBSALFLU-ADAFDVPTSA-N 1 2 281.743 1.430 20 30 CDEDLO Cc1cc(Cl)nnc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001229167225 942427736 /nfs/dbraw/zinc/42/77/36/942427736.db2.gz LLBAZEWWKOXSDB-ADAFDVPTSA-N 1 2 281.743 1.430 20 30 CDEDLO Cc1cc(Cl)nnc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001229167225 942427738 /nfs/dbraw/zinc/42/77/38/942427738.db2.gz LLBAZEWWKOXSDB-ADAFDVPTSA-N 1 2 281.743 1.430 20 30 CDEDLO C[N@@H+]1CCC[C@H](Oc2ccc(O)c3c2C(=O)C=CC3=O)C1 ZINC001229406107 942466461 /nfs/dbraw/zinc/46/64/61/942466461.db2.gz KAELIJNFCBAWKM-JTQLQIEISA-N 1 2 287.315 1.800 20 30 CDEDLO C[N@H+]1CCC[C@H](Oc2ccc(O)c3c2C(=O)C=CC3=O)C1 ZINC001229406107 942466462 /nfs/dbraw/zinc/46/64/62/942466462.db2.gz KAELIJNFCBAWKM-JTQLQIEISA-N 1 2 287.315 1.800 20 30 CDEDLO COC[C@]12COC[C@H]1C[N@H+](Cc1cc(C#N)ccc1O)C2 ZINC001232675487 943356483 /nfs/dbraw/zinc/35/64/83/943356483.db2.gz AGGOBGWZJFZQLO-GDBMZVCRSA-N 1 2 288.347 1.359 20 30 CDEDLO COC[C@]12COC[C@H]1C[N@@H+](Cc1cc(C#N)ccc1O)C2 ZINC001232675487 943356487 /nfs/dbraw/zinc/35/64/87/943356487.db2.gz AGGOBGWZJFZQLO-GDBMZVCRSA-N 1 2 288.347 1.359 20 30 CDEDLO Cn1cc2c(n1)CC[N@@H+](Cc1cc(C#N)ccc1O)C2 ZINC001232678785 943358536 /nfs/dbraw/zinc/35/85/36/943358536.db2.gz PSVCZWNHUTXNHN-UHFFFAOYSA-N 1 2 268.320 1.556 20 30 CDEDLO Cn1cc2c(n1)CC[N@H+](Cc1cc(C#N)ccc1O)C2 ZINC001232678785 943358543 /nfs/dbraw/zinc/35/85/43/943358543.db2.gz PSVCZWNHUTXNHN-UHFFFAOYSA-N 1 2 268.320 1.556 20 30 CDEDLO Cn1ncc2c1CC[N@H+](Cc1cc(C#N)ccc1O)C2 ZINC001232677825 943360561 /nfs/dbraw/zinc/36/05/61/943360561.db2.gz KQIGRJCIPCFFDS-UHFFFAOYSA-N 1 2 268.320 1.556 20 30 CDEDLO Cn1ncc2c1CC[N@@H+](Cc1cc(C#N)ccc1O)C2 ZINC001232677825 943360568 /nfs/dbraw/zinc/36/05/68/943360568.db2.gz KQIGRJCIPCFFDS-UHFFFAOYSA-N 1 2 268.320 1.556 20 30 CDEDLO CCC(=O)NC1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232679443 943363488 /nfs/dbraw/zinc/36/34/88/943363488.db2.gz KYUQRSCAXHNYEJ-UHFFFAOYSA-N 1 2 287.363 1.754 20 30 CDEDLO Nc1cccc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)n1 ZINC001233369168 943559672 /nfs/dbraw/zinc/55/96/72/943559672.db2.gz CMOFFDJUHTXPCN-LLVKDONJSA-N 1 2 261.350 1.438 20 30 CDEDLO Nc1cccc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)n1 ZINC001233369168 943559674 /nfs/dbraw/zinc/55/96/74/943559674.db2.gz CMOFFDJUHTXPCN-LLVKDONJSA-N 1 2 261.350 1.438 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc4cccnc4[nH]3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234630864 943921062 /nfs/dbraw/zinc/92/10/62/943921062.db2.gz WFFOBTSTMLVPRF-GQTXGERZSA-N 1 2 271.320 1.554 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc4cccnc4[nH]3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234630864 943921063 /nfs/dbraw/zinc/92/10/63/943921063.db2.gz WFFOBTSTMLVPRF-GQTXGERZSA-N 1 2 271.320 1.554 20 30 CDEDLO COC[C@@H]1COCC[N@@H+]1Cc1ccccc1CC#N ZINC001235524196 944187137 /nfs/dbraw/zinc/18/71/37/944187137.db2.gz BMZFEFRGCQYEHT-OAHLLOKOSA-N 1 2 260.337 1.600 20 30 CDEDLO COC[C@@H]1COCC[N@H+]1Cc1ccccc1CC#N ZINC001235524196 944187141 /nfs/dbraw/zinc/18/71/41/944187141.db2.gz BMZFEFRGCQYEHT-OAHLLOKOSA-N 1 2 260.337 1.600 20 30 CDEDLO C[N@@H+]1CCOC[C@H]1CNc1cc(C#N)cc(Cl)n1 ZINC000700241340 944295073 /nfs/dbraw/zinc/29/50/73/944295073.db2.gz AGIQEODIVAAVJC-SNVBAGLBSA-N 1 2 266.732 1.349 20 30 CDEDLO C[N@H+]1CCOC[C@H]1CNc1cc(C#N)cc(Cl)n1 ZINC000700241340 944295079 /nfs/dbraw/zinc/29/50/79/944295079.db2.gz AGIQEODIVAAVJC-SNVBAGLBSA-N 1 2 266.732 1.349 20 30 CDEDLO Cc1ccc(C[NH+]2CCN(CCF)CC2)cc1C#N ZINC000700700532 944368381 /nfs/dbraw/zinc/36/83/81/944368381.db2.gz DQTGYKODEDIFHA-UHFFFAOYSA-N 1 2 261.344 1.954 20 30 CDEDLO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237538904 944829431 /nfs/dbraw/zinc/82/94/31/944829431.db2.gz WDUDICMHTADPTO-CYBMUJFWSA-N 1 2 293.317 1.889 20 30 CDEDLO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237538904 944829435 /nfs/dbraw/zinc/82/94/35/944829435.db2.gz WDUDICMHTADPTO-CYBMUJFWSA-N 1 2 293.317 1.889 20 30 CDEDLO CN(C)C(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1ccc(C#N)cc1F ZINC001278305594 945664019 /nfs/dbraw/zinc/66/40/19/945664019.db2.gz KKVHJLQFULPMID-CJNGLKHVSA-N 1 2 287.338 1.750 20 30 CDEDLO CN(C)C(=O)[C@]12C[C@H]1CC[N@H+]2Cc1ccc(C#N)cc1F ZINC001278305594 945664022 /nfs/dbraw/zinc/66/40/22/945664022.db2.gz KKVHJLQFULPMID-CJNGLKHVSA-N 1 2 287.338 1.750 20 30 CDEDLO CC[C@@H](C(=O)NCC1(C#N)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001362584670 971429230 /nfs/dbraw/zinc/42/92/30/971429230.db2.gz RIHKPINRBUIXSY-STQMWFEESA-N 1 2 279.384 1.296 20 30 CDEDLO CC[C@@H](C(=O)NCC1(C#N)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC001362584670 971429237 /nfs/dbraw/zinc/42/92/37/971429237.db2.gz RIHKPINRBUIXSY-STQMWFEESA-N 1 2 279.384 1.296 20 30 CDEDLO CCOC(=O)N1CC[C@@H]([N@@H+]2CC[C@@](C)(C#N)C2)C1 ZINC001256046537 948182407 /nfs/dbraw/zinc/18/24/07/948182407.db2.gz UZPHTAZGHNPABE-YPMHNXCESA-N 1 2 251.330 1.453 20 30 CDEDLO CCOC(=O)N1CC[C@@H]([N@H+]2CC[C@@](C)(C#N)C2)C1 ZINC001256046537 948182412 /nfs/dbraw/zinc/18/24/12/948182412.db2.gz UZPHTAZGHNPABE-YPMHNXCESA-N 1 2 251.330 1.453 20 30 CDEDLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC1CCC(C#N)CC1 ZINC001256959682 948463461 /nfs/dbraw/zinc/46/34/61/948463461.db2.gz PZNIWXCGBYNEJL-ORHYLEIMSA-N 1 2 290.367 1.176 20 30 CDEDLO COC(=O)[C@@H](Cc1cncn1C)[NH2+]C1CCC(C#N)CC1 ZINC001256959682 948463464 /nfs/dbraw/zinc/46/34/64/948463464.db2.gz PZNIWXCGBYNEJL-ORHYLEIMSA-N 1 2 290.367 1.176 20 30 CDEDLO C#CC[C@@H]([NH3+])c1nc(-c2ccccc2S(C)(=O)=O)no1 ZINC001247610126 948677618 /nfs/dbraw/zinc/67/76/18/948677618.db2.gz VCLDSFWHRSIGPB-SNVBAGLBSA-N 1 2 291.332 1.163 20 30 CDEDLO CCOC(=O)CC1CCC([NH+]2CC(C#N)C2)CC1 ZINC001258029680 948691058 /nfs/dbraw/zinc/69/10/58/948691058.db2.gz GAGBTKMZBIFWFR-UHFFFAOYSA-N 1 2 250.342 1.954 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccnc(SC(C)C)n2)CC1 ZINC001248832880 949200058 /nfs/dbraw/zinc/20/00/58/949200058.db2.gz IGLTWCRKMCRNNK-UHFFFAOYSA-N 1 2 290.436 1.728 20 30 CDEDLO N#Cc1ccn2ncc(C[N@H+]3C[C@@H](F)C[C@H](CO)C3)c2c1 ZINC001249082426 949368274 /nfs/dbraw/zinc/36/82/74/949368274.db2.gz SIVPXYGIHVSOJX-JSGCOSHPSA-N 1 2 288.326 1.358 20 30 CDEDLO N#Cc1ccn2ncc(C[N@@H+]3C[C@@H](F)C[C@H](CO)C3)c2c1 ZINC001249082426 949368295 /nfs/dbraw/zinc/36/82/95/949368295.db2.gz SIVPXYGIHVSOJX-JSGCOSHPSA-N 1 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NJTGBSPGLJXXKF-LBPRGKRZSA-N 1 2 270.254 1.840 20 30 CDEDLO N#Cc1ccc2c(c1)C[N@@H+](C[C@H](O)C(F)(F)F)CC2 ZINC001250964727 950497136 /nfs/dbraw/zinc/49/71/36/950497136.db2.gz NJTGBSPGLJXXKF-LBPRGKRZSA-N 1 2 270.254 1.840 20 30 CDEDLO COc1ccc(C[NH+]2CCN(C(=O)[C@@H](C)C#N)CC2)cc1 ZINC001480343004 971680759 /nfs/dbraw/zinc/68/07/59/971680759.db2.gz YBLVVPJRRSIBIQ-ZDUSSCGKSA-N 1 2 287.363 1.499 20 30 CDEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1C[C@H](O)CC ZINC001251766790 950797908 /nfs/dbraw/zinc/79/79/08/950797908.db2.gz XIOPJSOQRMZHBY-TZMCWYRMSA-N 1 2 294.399 1.171 20 30 CDEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1C[C@H](O)CC ZINC001251766790 950797927 /nfs/dbraw/zinc/79/79/27/950797927.db2.gz XIOPJSOQRMZHBY-TZMCWYRMSA-N 1 2 294.399 1.171 20 30 CDEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+]C[C@H](O)COCC ZINC001252045014 951094244 /nfs/dbraw/zinc/09/42/44/951094244.db2.gz IMYHEGOIFRQMMH-STQMWFEESA-N 1 2 273.373 1.117 20 30 CDEDLO C=CCOC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001252471379 951322626 /nfs/dbraw/zinc/32/26/26/951322626.db2.gz WZIWIDMJXJFCHQ-HUUCEWRRSA-N 1 2 278.352 1.018 20 30 CDEDLO C=CCOC[C@H](O)C[N@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001252471379 951322639 /nfs/dbraw/zinc/32/26/39/951322639.db2.gz WZIWIDMJXJFCHQ-HUUCEWRRSA-N 1 2 278.352 1.018 20 30 CDEDLO C=C[C@](C)(O)CNc1cc(N2CCCCC2)nc[nH+]1 ZINC001252542565 951429629 /nfs/dbraw/zinc/42/96/29/951429629.db2.gz ICECYLDNWITFNK-AWEZNQCLSA-N 1 2 262.357 1.816 20 30 CDEDLO C=C[C@](C)(O)CNc1cc(N2CCCCC2)[nH+]cn1 ZINC001252542565 951429634 /nfs/dbraw/zinc/42/96/34/951429634.db2.gz ICECYLDNWITFNK-AWEZNQCLSA-N 1 2 262.357 1.816 20 30 CDEDLO C=C[C@@](C)(O)C[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC001252554149 951443167 /nfs/dbraw/zinc/44/31/67/951443167.db2.gz CAFXMHKUPGWPFY-OAHLLOKOSA-N 1 2 260.337 1.272 20 30 CDEDLO C=C[C@@](C)(O)C[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC001252554149 951443176 /nfs/dbraw/zinc/44/31/76/951443176.db2.gz CAFXMHKUPGWPFY-OAHLLOKOSA-N 1 2 260.337 1.272 20 30 CDEDLO C=C[C@@H](O)C[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC001253584723 951974213 /nfs/dbraw/zinc/97/42/13/951974213.db2.gz QWNYSAVGHFWBIM-LLVKDONJSA-N 1 2 266.366 1.053 20 30 CDEDLO C=C[C@@H](O)CN1CC[C@@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001253587828 951979428 /nfs/dbraw/zinc/97/94/28/951979428.db2.gz PCRLLSFXBHKMTO-CHWSQXEVSA-N 1 2 274.355 1.729 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(C#N)cn1 ZINC001364151930 954260983 /nfs/dbraw/zinc/26/09/83/954260983.db2.gz SFBQLBKGOFZGEH-JTQLQIEISA-N 1 2 270.296 1.360 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001421652426 955454213 /nfs/dbraw/zinc/45/42/13/955454213.db2.gz UYAWXLLVDDOQCE-GJZGRUSLSA-N 1 2 287.363 1.192 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001421652426 955454218 /nfs/dbraw/zinc/45/42/18/955454218.db2.gz UYAWXLLVDDOQCE-GJZGRUSLSA-N 1 2 287.363 1.192 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(c2nnc(N)o2)CC1 ZINC001422003510 955697429 /nfs/dbraw/zinc/69/74/29/955697429.db2.gz FIHQCBKMLQQGBU-JTQLQIEISA-N 1 2 274.328 1.275 20 30 CDEDLO C=C[C@@](C)(O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001329166802 955729578 /nfs/dbraw/zinc/72/95/78/955729578.db2.gz NSGIQDSAMZGIAR-IUODEOHRSA-N 1 2 277.368 1.138 20 30 CDEDLO N#Cc1cccc2c1CCN2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001363451146 972177347 /nfs/dbraw/zinc/17/73/47/972177347.db2.gz XBEUMGWSEVZEAX-LBPRGKRZSA-N 1 2 292.342 1.906 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(CC)n(C)n1 ZINC001366599056 957018610 /nfs/dbraw/zinc/01/86/10/957018610.db2.gz HNCYDCDRGJULAE-UHFFFAOYSA-N 1 2 284.791 1.397 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(CC)n(C)n1 ZINC001366599056 957018619 /nfs/dbraw/zinc/01/86/19/957018619.db2.gz HNCYDCDRGJULAE-UHFFFAOYSA-N 1 2 284.791 1.397 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)[C@H](C)c1nc(C)no1 ZINC001366709832 957132258 /nfs/dbraw/zinc/13/22/58/957132258.db2.gz WINOYMVMODQCIT-WDEREUQCSA-N 1 2 293.371 1.427 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)[C@H](C)c1nc(C)no1 ZINC001366709832 957132265 /nfs/dbraw/zinc/13/22/65/957132265.db2.gz WINOYMVMODQCIT-WDEREUQCSA-N 1 2 293.371 1.427 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](CC)CCC)C1 ZINC001494730819 972298044 /nfs/dbraw/zinc/29/80/44/972298044.db2.gz UZJSXJOPYZRXRH-KGLIPLIRSA-N 1 2 295.427 1.305 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC)CCC)C1 ZINC001494730819 972298048 /nfs/dbraw/zinc/29/80/48/972298048.db2.gz UZJSXJOPYZRXRH-KGLIPLIRSA-N 1 2 295.427 1.305 20 30 CDEDLO C=CC[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(=O)OCC ZINC001334339850 959038897 /nfs/dbraw/zinc/03/88/97/959038897.db2.gz JVASISFQGMAYQM-NEPJUHHUSA-N 1 2 291.351 1.070 20 30 CDEDLO COC(=O)c1cc(C[NH2+]Cc2ccc(C#N)c(F)c2)on1 ZINC001434533394 961657238 /nfs/dbraw/zinc/65/72/38/961657238.db2.gz RNKIDJITJJAZGZ-UHFFFAOYSA-N 1 2 289.266 1.762 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCc1nccn1C ZINC001420616554 963126196 /nfs/dbraw/zinc/12/61/96/963126196.db2.gz LMGSJGUOILIDHO-LBPRGKRZSA-N 1 2 298.818 1.542 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCc1nccn1C ZINC001420616554 963126204 /nfs/dbraw/zinc/12/62/04/963126204.db2.gz LMGSJGUOILIDHO-LBPRGKRZSA-N 1 2 298.818 1.542 20 30 CDEDLO COCC(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1 ZINC001437767008 963167925 /nfs/dbraw/zinc/16/79/25/963167925.db2.gz KMLWWCZHNQCKRR-UHFFFAOYSA-N 1 2 287.363 1.285 20 30 CDEDLO COCC(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC001437767008 963167930 /nfs/dbraw/zinc/16/79/30/963167930.db2.gz KMLWWCZHNQCKRR-UHFFFAOYSA-N 1 2 287.363 1.285 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C1=COCCO1 ZINC001438841616 963569202 /nfs/dbraw/zinc/56/92/02/963569202.db2.gz UMFXSQLKQHFYBO-UHFFFAOYSA-N 1 2 274.748 1.017 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C1=COCCO1 ZINC001438841616 963569205 /nfs/dbraw/zinc/56/92/05/963569205.db2.gz UMFXSQLKQHFYBO-UHFFFAOYSA-N 1 2 274.748 1.017 20 30 CDEDLO C#CCNCC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC001342475583 963747814 /nfs/dbraw/zinc/74/78/14/963747814.db2.gz QGUSFRRFBYMETR-UHFFFAOYSA-N 1 2 279.771 1.563 20 30 CDEDLO C=C(Cl)C[NH2+]C1(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001439608569 963820605 /nfs/dbraw/zinc/82/06/05/963820605.db2.gz SMNZYAZMEIQRIC-SSDOTTSWSA-N 1 2 288.672 1.878 20 30 CDEDLO CC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1nc(C)cs1 ZINC001442645418 965158692 /nfs/dbraw/zinc/15/86/92/965158692.db2.gz BRDJUKCFOPYZHY-SNVBAGLBSA-N 1 2 280.397 1.549 20 30 CDEDLO CC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1nc(C)cs1 ZINC001442645418 965158698 /nfs/dbraw/zinc/15/86/98/965158698.db2.gz BRDJUKCFOPYZHY-SNVBAGLBSA-N 1 2 280.397 1.549 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1cn(C)nc1C ZINC001442678450 965172265 /nfs/dbraw/zinc/17/22/65/965172265.db2.gz SWFIVINTMZTOIZ-UHFFFAOYSA-N 1 2 298.818 1.462 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1cn(C)nc1C ZINC001442678450 965172275 /nfs/dbraw/zinc/17/22/75/965172275.db2.gz SWFIVINTMZTOIZ-UHFFFAOYSA-N 1 2 298.818 1.462 20 30 CDEDLO COc1ccc(CC[NH+]2CC(NC(=O)[C@H](C)C#N)C2)cc1 ZINC001443457673 965477127 /nfs/dbraw/zinc/47/71/27/965477127.db2.gz GNHUCRSITFPJJM-GFCCVEGCSA-N 1 2 287.363 1.198 20 30 CDEDLO C=CCOc1cccnc1C(=O)NCCc1[nH+]ccn1C ZINC001350488373 966679855 /nfs/dbraw/zinc/67/98/55/966679855.db2.gz KHAXKQDJIXBUJZ-UHFFFAOYSA-N 1 2 286.335 1.352 20 30 CDEDLO CN(Cc1ccc(C#N)cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001540805184 967175341 /nfs/dbraw/zinc/17/53/41/967175341.db2.gz USCPQXCLWJDDEW-UHFFFAOYSA-N 1 2 254.293 1.482 20 30 CDEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001100267459 967825895 /nfs/dbraw/zinc/82/58/95/967825895.db2.gz OBSHKNUZITVDJJ-NEPJUHHUSA-N 1 2 276.384 1.796 20 30 CDEDLO C=CCNC(=S)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001200290141 967852041 /nfs/dbraw/zinc/85/20/41/967852041.db2.gz ACZYYOVWXXROOZ-LLVKDONJSA-N 1 2 289.395 1.852 20 30 CDEDLO CC(C)N(CCC#N)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001464573646 969798160 /nfs/dbraw/zinc/79/81/60/969798160.db2.gz OWCNMKLZPDXUMK-GFCCVEGCSA-N 1 2 260.341 1.596 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(C2CC2)n[nH]1 ZINC001372124422 972803741 /nfs/dbraw/zinc/80/37/41/972803741.db2.gz PEXJPSHYAGJUTA-UHFFFAOYSA-N 1 2 282.775 1.701 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(C2CC2)n[nH]1 ZINC001372124422 972803750 /nfs/dbraw/zinc/80/37/50/972803750.db2.gz PEXJPSHYAGJUTA-UHFFFAOYSA-N 1 2 282.775 1.701 20 30 CDEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)CC ZINC001372480867 972970163 /nfs/dbraw/zinc/97/01/63/972970163.db2.gz OGVKUIWZELCOPD-JTQLQIEISA-N 1 2 275.190 1.886 20 30 CDEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)CC ZINC001372480867 972970160 /nfs/dbraw/zinc/97/01/60/972970160.db2.gz OGVKUIWZELCOPD-JTQLQIEISA-N 1 2 275.190 1.886 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CC1CCOCC1 ZINC001374477438 973970102 /nfs/dbraw/zinc/97/01/02/973970102.db2.gz RAMGWMNSPXRXQV-UHFFFAOYSA-N 1 2 288.819 1.946 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CC1CCOCC1 ZINC001374477438 973970111 /nfs/dbraw/zinc/97/01/11/973970111.db2.gz RAMGWMNSPXRXQV-UHFFFAOYSA-N 1 2 288.819 1.946 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCn2cccn2)C1 ZINC001376026142 974537421 /nfs/dbraw/zinc/53/74/21/974537421.db2.gz BAANDAMAQHCVBL-CYBMUJFWSA-N 1 2 296.802 1.606 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCn2cccn2)C1 ZINC001376026142 974537426 /nfs/dbraw/zinc/53/74/26/974537426.db2.gz BAANDAMAQHCVBL-CYBMUJFWSA-N 1 2 296.802 1.606 20 30 CDEDLO Cc1nnc([C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)[nH]1 ZINC001502166650 974711965 /nfs/dbraw/zinc/71/19/65/974711965.db2.gz FCERDSBQDWNBIC-QWRGUYRKSA-N 1 2 292.387 1.114 20 30 CDEDLO Cc1nnc([C@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)[nH]1 ZINC001502166650 974711969 /nfs/dbraw/zinc/71/19/69/974711969.db2.gz FCERDSBQDWNBIC-QWRGUYRKSA-N 1 2 292.387 1.114 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CCCCO1 ZINC001377306796 974968218 /nfs/dbraw/zinc/96/82/18/974968218.db2.gz KJUAWHIDBBDLRF-GFCCVEGCSA-N 1 2 274.792 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CCCCO1 ZINC001377306796 974968224 /nfs/dbraw/zinc/96/82/24/974968224.db2.gz KJUAWHIDBBDLRF-GFCCVEGCSA-N 1 2 274.792 1.746 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CCCCO1 ZINC001377306804 974968511 /nfs/dbraw/zinc/96/85/11/974968511.db2.gz KJUAWHIDBBDLRF-LBPRGKRZSA-N 1 2 274.792 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CCCCO1 ZINC001377306804 974968516 /nfs/dbraw/zinc/96/85/16/974968516.db2.gz KJUAWHIDBBDLRF-LBPRGKRZSA-N 1 2 274.792 1.746 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1nc(C)oc1C ZINC001403713132 977155434 /nfs/dbraw/zinc/15/54/34/977155434.db2.gz GVMIRVLLULJGNW-UHFFFAOYSA-N 1 2 271.748 1.706 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1nc(C)oc1C ZINC001403713132 977155435 /nfs/dbraw/zinc/15/54/35/977155435.db2.gz GVMIRVLLULJGNW-UHFFFAOYSA-N 1 2 271.748 1.706 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cncs1 ZINC001392640183 977522024 /nfs/dbraw/zinc/52/20/24/977522024.db2.gz OFQHODKKMHUALR-VIFPVBQESA-N 1 2 273.789 1.946 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cncs1 ZINC001392640183 977522030 /nfs/dbraw/zinc/52/20/30/977522030.db2.gz OFQHODKKMHUALR-VIFPVBQESA-N 1 2 273.789 1.946 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nnc(C(C)C)o1 ZINC001132402880 1163268241 /nfs/dbraw/zinc/26/82/41/1163268241.db2.gz ZMJPZKBETYMBDY-UHFFFAOYSA-N 1 2 280.372 1.611 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001133154371 1163586369 /nfs/dbraw/zinc/58/63/69/1163586369.db2.gz HRODNZVLTVVJEP-UHFFFAOYSA-N 1 2 278.356 1.509 20 30 CDEDLO N#Cc1cccc(C(=O)NCCNc2cccc[nH+]2)n1 ZINC000589273498 342502877 /nfs/dbraw/zinc/50/28/77/342502877.db2.gz NTAREVCVNLJSOX-UHFFFAOYSA-N 1 2 267.292 1.190 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCn2cncc2C1 ZINC000590600372 342579812 /nfs/dbraw/zinc/57/98/12/342579812.db2.gz VGWKVHTVFSKEBI-UHFFFAOYSA-N 1 2 268.320 1.779 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCn2cncc2C1 ZINC000590600372 342579813 /nfs/dbraw/zinc/57/98/13/342579813.db2.gz VGWKVHTVFSKEBI-UHFFFAOYSA-N 1 2 268.320 1.779 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC ZINC000590652729 342580780 /nfs/dbraw/zinc/58/07/80/342580780.db2.gz MHQASAPZYXMDMY-RNJOBUHISA-N 1 2 271.357 1.276 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000599279502 343996253 /nfs/dbraw/zinc/99/62/53/343996253.db2.gz QSLQVZUMSFKDSM-CYBMUJFWSA-N 1 2 295.342 1.377 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000599279502 343996255 /nfs/dbraw/zinc/99/62/55/343996255.db2.gz QSLQVZUMSFKDSM-CYBMUJFWSA-N 1 2 295.342 1.377 20 30 CDEDLO N#Cc1ccnc(N2CC[NH+](C/C=C/Cl)CC2)c1 ZINC000047857619 342141785 /nfs/dbraw/zinc/14/17/85/342141785.db2.gz ZFVQNJRURQGTKQ-HNQUOIGGSA-N 1 2 262.744 1.828 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)cc1F ZINC000248878686 344000881 /nfs/dbraw/zinc/00/08/81/344000881.db2.gz OSQGTBPTRNHXCJ-HUUCEWRRSA-N 1 2 287.338 1.940 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)cc1F ZINC000248878686 344000882 /nfs/dbraw/zinc/00/08/82/344000882.db2.gz OSQGTBPTRNHXCJ-HUUCEWRRSA-N 1 2 287.338 1.940 20 30 CDEDLO C=C[C@H]([NH2+][C@H]([C@H](CO)C1CC1)C1CC1)C(=O)OC ZINC000590758006 342643933 /nfs/dbraw/zinc/64/39/33/342643933.db2.gz CTXJZLDRCDBQPU-AGIUHOORSA-N 1 2 253.342 1.101 20 30 CDEDLO C[C@H](C#N)C[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000591734771 342644816 /nfs/dbraw/zinc/64/48/16/342644816.db2.gz BCLIYWQPNVCVLZ-SNVBAGLBSA-N 1 2 270.329 1.349 20 30 CDEDLO Cc1cc(N[C@@H]2CCN(C(=O)C3CC3)C[C@@H]2C)c(C#N)c[nH+]1 ZINC000591821629 342647691 /nfs/dbraw/zinc/64/76/91/342647691.db2.gz GOTJLXBKVYZDDV-XHDPSFHLSA-N 1 2 298.390 1.743 20 30 CDEDLO C[C@@H](NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1cccs1 ZINC000592147646 342668120 /nfs/dbraw/zinc/66/81/20/342668120.db2.gz MZHULSZITYSAFH-BXUZGUMPSA-N 1 2 293.392 1.276 20 30 CDEDLO C[C@@H](NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1cccs1 ZINC000592147646 342668121 /nfs/dbraw/zinc/66/81/21/342668121.db2.gz MZHULSZITYSAFH-BXUZGUMPSA-N 1 2 293.392 1.276 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@](O)(CC#N)C1 ZINC000592842692 342734411 /nfs/dbraw/zinc/73/44/11/342734411.db2.gz JRKHUPGXDUHTRU-INIZCTEOSA-N 1 2 298.346 1.222 20 30 CDEDLO CC[C@@H](C#N)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000593414427 342799097 /nfs/dbraw/zinc/79/90/97/342799097.db2.gz OGUHYUWKSRCQST-QMMMGPOBSA-N 1 2 264.354 1.619 20 30 CDEDLO CC[C@@H](C#N)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000593414427 342799099 /nfs/dbraw/zinc/79/90/99/342799099.db2.gz OGUHYUWKSRCQST-QMMMGPOBSA-N 1 2 264.354 1.619 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000593508577 342804723 /nfs/dbraw/zinc/80/47/23/342804723.db2.gz SHJRABOUOXJMLZ-CQSZACIVSA-N 1 2 287.363 1.586 20 30 CDEDLO CC[C@@H]1COCCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329727811 361983848 /nfs/dbraw/zinc/98/38/48/361983848.db2.gz GYFLKGNFRXBMHU-GHMZBOCLSA-N 1 2 278.356 1.292 20 30 CDEDLO CC[C@@H]1COCCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329727811 361983854 /nfs/dbraw/zinc/98/38/54/361983854.db2.gz GYFLKGNFRXBMHU-GHMZBOCLSA-N 1 2 278.356 1.292 20 30 CDEDLO COc1ccc(C#N)cc1CN(C)Cc1[nH]cc[nH+]1 ZINC000619231263 349656337 /nfs/dbraw/zinc/65/63/37/349656337.db2.gz OKESVUFBFIDJNB-UHFFFAOYSA-N 1 2 256.309 1.922 20 30 CDEDLO N#CC1(CS(=O)(=O)NCc2c[nH+]c[nH]2)CCCCC1 ZINC000599356661 344023327 /nfs/dbraw/zinc/02/33/27/344023327.db2.gz OHWQCKDRTJQFGV-UHFFFAOYSA-N 1 2 282.369 1.303 20 30 CDEDLO N#CC1(CS(=O)(=O)NCc2c[nH]c[nH+]2)CCCCC1 ZINC000599356661 344023330 /nfs/dbraw/zinc/02/33/30/344023330.db2.gz OHWQCKDRTJQFGV-UHFFFAOYSA-N 1 2 282.369 1.303 20 30 CDEDLO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ncc[nH]1 ZINC000595399097 343048242 /nfs/dbraw/zinc/04/82/42/343048242.db2.gz DUPRQUSNICTNSQ-UHFFFAOYSA-N 1 2 283.335 1.742 20 30 CDEDLO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ncc[nH]1 ZINC000595399097 343048243 /nfs/dbraw/zinc/04/82/43/343048243.db2.gz DUPRQUSNICTNSQ-UHFFFAOYSA-N 1 2 283.335 1.742 20 30 CDEDLO Cn1c[nH+]cc1CN1CCN(c2ccsc2C#N)CC1 ZINC000595630979 343113490 /nfs/dbraw/zinc/11/34/90/343113490.db2.gz NVKCBEWDIWZRFO-UHFFFAOYSA-N 1 2 287.392 1.675 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442819308 362093205 /nfs/dbraw/zinc/09/32/05/362093205.db2.gz ATKLILDYJKAQNQ-ABAIWWIYSA-N 1 2 295.383 1.068 20 30 CDEDLO C=C[C@H](CO)[NH2+]CC(=O)c1c(C)[nH]c(C(=O)OCC)c1C ZINC000595863381 343174770 /nfs/dbraw/zinc/17/47/70/343174770.db2.gz FDXPXHMBFSVERZ-LLVKDONJSA-N 1 2 294.351 1.127 20 30 CDEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000081040132 342363444 /nfs/dbraw/zinc/36/34/44/342363444.db2.gz UGGVNVWTWQTAIO-ZDUSSCGKSA-N 1 2 276.384 1.953 20 30 CDEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000081040132 342363445 /nfs/dbraw/zinc/36/34/45/342363445.db2.gz UGGVNVWTWQTAIO-ZDUSSCGKSA-N 1 2 276.384 1.953 20 30 CDEDLO CC1(C)C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CCS1 ZINC000083419068 342376967 /nfs/dbraw/zinc/37/69/67/342376967.db2.gz JRNGCAQDMYMATJ-ZDUSSCGKSA-N 1 2 289.404 1.912 20 30 CDEDLO CC1(C)C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CCS1 ZINC000083419068 342376968 /nfs/dbraw/zinc/37/69/68/342376968.db2.gz JRNGCAQDMYMATJ-ZDUSSCGKSA-N 1 2 289.404 1.912 20 30 CDEDLO N#Cc1nccc(NCc2ccc[nH+]c2N2CCCC2)n1 ZINC000596357107 343309753 /nfs/dbraw/zinc/30/97/53/343309753.db2.gz OZVXFWDGSQZJJY-UHFFFAOYSA-N 1 2 280.335 1.377 20 30 CDEDLO C=CCSCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000596973586 343422890 /nfs/dbraw/zinc/42/28/90/343422890.db2.gz QNJNJPZYZKEVSB-GHMZBOCLSA-N 1 2 265.382 1.559 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)Cc1cc(C)ccc1F ZINC000444728375 362200388 /nfs/dbraw/zinc/20/03/88/362200388.db2.gz DKZKNQQCRVQMDP-UHFFFAOYSA-N 1 2 250.317 1.868 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)Cc1cc(C)ccc1F ZINC000444728375 362200394 /nfs/dbraw/zinc/20/03/94/362200394.db2.gz DKZKNQQCRVQMDP-UHFFFAOYSA-N 1 2 250.317 1.868 20 30 CDEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)CC2(C#N)CCCCC2)C1 ZINC000597211410 343475763 /nfs/dbraw/zinc/47/57/63/343475763.db2.gz YXXZTYKSENJSQW-AWEZNQCLSA-N 1 2 292.427 1.213 20 30 CDEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CC2(C#N)CCCCC2)C1 ZINC000597211410 343475766 /nfs/dbraw/zinc/47/57/66/343475766.db2.gz YXXZTYKSENJSQW-AWEZNQCLSA-N 1 2 292.427 1.213 20 30 CDEDLO C[C@]1(C#N)CC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000597230856 343488885 /nfs/dbraw/zinc/48/88/85/343488885.db2.gz UKGWPIDZHOBSJT-CQSZACIVSA-N 1 2 292.408 1.715 20 30 CDEDLO C[C@]1(C#N)CC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000597230856 343488887 /nfs/dbraw/zinc/48/88/87/343488887.db2.gz UKGWPIDZHOBSJT-CQSZACIVSA-N 1 2 292.408 1.715 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(F)c(F)c2F)C1 ZINC000597155011 343462241 /nfs/dbraw/zinc/46/22/41/343462241.db2.gz DAHBYIQEKGWYIM-CYBMUJFWSA-N 1 2 270.254 1.954 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(F)c(F)c2F)C1 ZINC000597155011 343462242 /nfs/dbraw/zinc/46/22/42/343462242.db2.gz DAHBYIQEKGWYIM-CYBMUJFWSA-N 1 2 270.254 1.954 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCc2ccc(C#N)cc21 ZINC000597444556 343539033 /nfs/dbraw/zinc/53/90/33/343539033.db2.gz IZALEYJNPXWCBK-ZIAGYGMSSA-N 1 2 292.342 1.985 20 30 CDEDLO CC[C@H](C#N)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597940892 343673579 /nfs/dbraw/zinc/67/35/79/343673579.db2.gz MKDYQJYUSVMYDR-GFCCVEGCSA-N 1 2 272.352 1.848 20 30 CDEDLO COc1cc(C[NH+]2CC3(C2)CCCO3)ccc1C#N ZINC000600189402 349841537 /nfs/dbraw/zinc/84/15/37/349841537.db2.gz JETIXCBFICSCET-UHFFFAOYSA-N 1 2 258.321 1.932 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000619719797 349869561 /nfs/dbraw/zinc/86/95/61/349869561.db2.gz FCPIWLJQNLSYBA-TZMCWYRMSA-N 1 2 283.368 1.232 20 30 CDEDLO Cc1nc([C@@H]2CCC[N@@H+]2C[C@H](O)CC(C)(C)C#N)no1 ZINC000598591659 343838124 /nfs/dbraw/zinc/83/81/24/343838124.db2.gz XYIMLKZSBCZBOK-NEPJUHHUSA-N 1 2 278.356 1.816 20 30 CDEDLO Cc1nc([C@@H]2CCC[N@H+]2C[C@H](O)CC(C)(C)C#N)no1 ZINC000598591659 343838126 /nfs/dbraw/zinc/83/81/26/343838126.db2.gz XYIMLKZSBCZBOK-NEPJUHHUSA-N 1 2 278.356 1.816 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000598620091 343844523 /nfs/dbraw/zinc/84/45/23/343844523.db2.gz YFSRQOKTOITGQO-VXGBXAGGSA-N 1 2 277.372 1.632 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000598620091 343844525 /nfs/dbraw/zinc/84/45/25/343844525.db2.gz YFSRQOKTOITGQO-VXGBXAGGSA-N 1 2 277.372 1.632 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CCc2cc(F)ccc21 ZINC000598836399 343914398 /nfs/dbraw/zinc/91/43/98/343914398.db2.gz IENMJSLGWAWFJX-ZBFHGGJFSA-N 1 2 289.354 1.816 20 30 CDEDLO COC1CC[NH+](Cc2cn(-c3ccccc3C#N)nn2)CC1 ZINC000600970633 349897466 /nfs/dbraw/zinc/89/74/66/349897466.db2.gz LEPIFURNAMGNHZ-UHFFFAOYSA-N 1 2 297.362 1.750 20 30 CDEDLO Cc1cc(N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c(C#N)c[nH+]1 ZINC000599174300 343975177 /nfs/dbraw/zinc/97/51/77/343975177.db2.gz UJYWUYDEVYUPOF-CJNGLKHVSA-N 1 2 296.330 1.726 20 30 CDEDLO Cc1cc(N[C@@H]2CCO[C@H](c3cnn(C)c3)C2)c(C#N)c[nH+]1 ZINC000599106347 343955059 /nfs/dbraw/zinc/95/50/59/343955059.db2.gz FRLANIISAACXSJ-ZBFHGGJFSA-N 1 2 297.362 1.749 20 30 CDEDLO CCS(=O)(=O)CC[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000128245218 187358815 /nfs/dbraw/zinc/35/88/15/187358815.db2.gz COCAXDLRSBBMPB-UHFFFAOYSA-N 1 2 296.392 1.433 20 30 CDEDLO CCS(=O)(=O)CC[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000128245218 187358816 /nfs/dbraw/zinc/35/88/16/187358816.db2.gz COCAXDLRSBBMPB-UHFFFAOYSA-N 1 2 296.392 1.433 20 30 CDEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Nc1ccc(C#N)cc1 ZINC000599697321 344126343 /nfs/dbraw/zinc/12/63/43/344126343.db2.gz GDCQABIVDHZIGF-ZDUSSCGKSA-N 1 2 274.324 1.010 20 30 CDEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)Nc1ccc(C#N)cc1 ZINC000599697321 344126344 /nfs/dbraw/zinc/12/63/44/344126344.db2.gz GDCQABIVDHZIGF-ZDUSSCGKSA-N 1 2 274.324 1.010 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CC(=O)N1CCCC1 ZINC000623052486 344159505 /nfs/dbraw/zinc/15/95/05/344159505.db2.gz HQPSWSDTOJHIJM-AWEZNQCLSA-N 1 2 293.411 1.130 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CC(=O)N1CCCC1 ZINC000623052486 344159507 /nfs/dbraw/zinc/15/95/07/344159507.db2.gz HQPSWSDTOJHIJM-AWEZNQCLSA-N 1 2 293.411 1.130 20 30 CDEDLO CCN(CCC#N)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000602077708 344327457 /nfs/dbraw/zinc/32/74/57/344327457.db2.gz FOWKJYFKWPFCNS-UHFFFAOYSA-N 1 2 284.319 1.954 20 30 CDEDLO N#CCN(C(=O)c1cc(-n2cc[nH+]c2)ccc1O)C1CC1 ZINC000602080377 344328119 /nfs/dbraw/zinc/32/81/19/344328119.db2.gz PYROAAOBIZCSNI-UHFFFAOYSA-N 1 2 282.303 1.706 20 30 CDEDLO COCCN(CC#N)C(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000602159406 344363759 /nfs/dbraw/zinc/36/37/59/344363759.db2.gz UQGJTESGLPQDIJ-UHFFFAOYSA-N 1 2 272.308 1.255 20 30 CDEDLO N#CCCC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000572724120 362380995 /nfs/dbraw/zinc/38/09/95/362380995.db2.gz DUFHWUPCSLBLLI-UHFFFAOYSA-N 1 2 260.341 1.885 20 30 CDEDLO N#CCCC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000572724120 362381003 /nfs/dbraw/zinc/38/10/03/362381003.db2.gz DUFHWUPCSLBLLI-UHFFFAOYSA-N 1 2 260.341 1.885 20 30 CDEDLO CC1(C#N)CC[NH+](Cc2cc3c(cn2)OCCO3)CC1 ZINC000602602891 344488817 /nfs/dbraw/zinc/48/88/17/344488817.db2.gz DHWHTWVEZKNSMB-UHFFFAOYSA-N 1 2 273.336 1.978 20 30 CDEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000602607942 344491689 /nfs/dbraw/zinc/49/16/89/344491689.db2.gz NOZJOOWJLQNDRM-QMMMGPOBSA-N 1 2 287.772 1.237 20 30 CDEDLO COC(=O)c1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)on1 ZINC000602704057 344548222 /nfs/dbraw/zinc/54/82/22/344548222.db2.gz BGOGMUVXOQUAKG-JTQLQIEISA-N 1 2 263.297 1.587 20 30 CDEDLO COC(=O)c1cc(C[N@H+]2CCC[C@@H](CC#N)C2)on1 ZINC000602704057 344548224 /nfs/dbraw/zinc/54/82/24/344548224.db2.gz BGOGMUVXOQUAKG-JTQLQIEISA-N 1 2 263.297 1.587 20 30 CDEDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)CC1(CC#N)CC1 ZINC000602782935 344597728 /nfs/dbraw/zinc/59/77/28/344597728.db2.gz CKRTWCNFFKXMNL-LLVKDONJSA-N 1 2 258.387 1.435 20 30 CDEDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)CC1(CC#N)CC1 ZINC000602782935 344597731 /nfs/dbraw/zinc/59/77/31/344597731.db2.gz CKRTWCNFFKXMNL-LLVKDONJSA-N 1 2 258.387 1.435 20 30 CDEDLO CCOC(=O)[C@H]([NH2+]CC1(CC#N)CC1)C1CCOCC1 ZINC000602811003 344603729 /nfs/dbraw/zinc/60/37/29/344603729.db2.gz VMIFVWTTXPCJAY-CYBMUJFWSA-N 1 2 280.368 1.628 20 30 CDEDLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N)cc1 ZINC000602867996 344639426 /nfs/dbraw/zinc/63/94/26/344639426.db2.gz GQELMHSCXLPKSY-GHMZBOCLSA-N 1 2 261.325 1.914 20 30 CDEDLO CCCCc1nnc(NC(=O)C[NH2+][C@H](C)CC#N)s1 ZINC000602869358 344640791 /nfs/dbraw/zinc/64/07/91/344640791.db2.gz NPVIGAHUNWFGOR-SECBINFHSA-N 1 2 281.385 1.711 20 30 CDEDLO C[N@H+](CCO)Cc1cn(CCCC(C)(C)C#N)nn1 ZINC000603260777 344755793 /nfs/dbraw/zinc/75/57/93/344755793.db2.gz QJDLLBOGCBLDAP-UHFFFAOYSA-N 1 2 265.361 1.032 20 30 CDEDLO C[N@@H+](CCO)Cc1cn(CCCC(C)(C)C#N)nn1 ZINC000603260777 344755796 /nfs/dbraw/zinc/75/57/96/344755796.db2.gz QJDLLBOGCBLDAP-UHFFFAOYSA-N 1 2 265.361 1.032 20 30 CDEDLO C=CC[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000603876088 344841500 /nfs/dbraw/zinc/84/15/00/344841500.db2.gz OPZHTGGWAGEQKY-UHFFFAOYSA-N 1 2 258.325 1.732 20 30 CDEDLO N#CCSCC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000604481432 344894377 /nfs/dbraw/zinc/89/43/77/344894377.db2.gz SNAVOZQUEHBVGB-UHFFFAOYSA-N 1 2 275.377 1.375 20 30 CDEDLO C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000265894740 362624056 /nfs/dbraw/zinc/62/40/56/362624056.db2.gz SIUVIBJFAVVOPM-BETUJISGSA-N 1 2 287.363 1.284 20 30 CDEDLO C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000265894740 362624058 /nfs/dbraw/zinc/62/40/58/362624058.db2.gz SIUVIBJFAVVOPM-BETUJISGSA-N 1 2 287.363 1.284 20 30 CDEDLO C=CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H](C)COC ZINC000617581052 345865967 /nfs/dbraw/zinc/86/59/67/345865967.db2.gz JZCSSZWAUBEGLX-OLZOCXBDSA-N 1 2 277.368 1.495 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617734607 345938231 /nfs/dbraw/zinc/93/82/31/345938231.db2.gz FHAHJXGCFFYOKO-MELADBBJSA-N 1 2 284.400 1.193 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617734607 345938232 /nfs/dbraw/zinc/93/82/32/345938232.db2.gz FHAHJXGCFFYOKO-MELADBBJSA-N 1 2 284.400 1.193 20 30 CDEDLO CCOC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000609671888 345988437 /nfs/dbraw/zinc/98/84/37/345988437.db2.gz YPDNAZAONPZCCP-HNNXBMFYSA-N 1 2 287.363 1.586 20 30 CDEDLO C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccccc1F ZINC000583696550 346217216 /nfs/dbraw/zinc/21/72/16/346217216.db2.gz AKMPDOBMIYOOAX-XHDPSFHLSA-N 1 2 277.343 1.889 20 30 CDEDLO CSCCCCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000584722930 346412532 /nfs/dbraw/zinc/41/25/32/346412532.db2.gz FHHHHKGBNFZORP-LBPRGKRZSA-N 1 2 257.403 1.480 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000584778835 346431181 /nfs/dbraw/zinc/43/11/81/346431181.db2.gz ZBBNJVDHMUNYIS-STQMWFEESA-N 1 2 291.395 1.581 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000584778835 346431184 /nfs/dbraw/zinc/43/11/84/346431184.db2.gz ZBBNJVDHMUNYIS-STQMWFEESA-N 1 2 291.395 1.581 20 30 CDEDLO Cc1cc(=NC(=O)CCCn2cc[nH+]c2)[nH]n1CCC#N ZINC000611246348 346715093 /nfs/dbraw/zinc/71/50/93/346715093.db2.gz GWZFZSSBTAORFK-UHFFFAOYSA-N 1 2 286.339 1.143 20 30 CDEDLO C[C@H](CC#N)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000612584626 347217198 /nfs/dbraw/zinc/21/71/98/347217198.db2.gz UJQGHHGIHHOLRH-SECBINFHSA-N 1 2 277.280 1.853 20 30 CDEDLO CC(C)(C#N)C[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC000612588015 347218052 /nfs/dbraw/zinc/21/80/52/347218052.db2.gz LYOJXJJIAUUSPZ-UHFFFAOYSA-N 1 2 270.340 1.361 20 30 CDEDLO C=C(C)CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000163030676 362816776 /nfs/dbraw/zinc/81/67/76/362816776.db2.gz IGICPOGSFFKHHL-CQSZACIVSA-N 1 2 299.440 1.070 20 30 CDEDLO C#C[C@@H]1COCCN1C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000491661380 347585292 /nfs/dbraw/zinc/58/52/92/347585292.db2.gz NLOXCONIUDPQOW-CQSZACIVSA-N 1 2 283.331 1.046 20 30 CDEDLO C=C[C@@H](O)C(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000614360256 348088253 /nfs/dbraw/zinc/08/82/53/348088253.db2.gz IUERFIWSYYSDQM-VXGBXAGGSA-N 1 2 263.341 1.504 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cc(Cl)ccc1C#N ZINC000414151359 362924702 /nfs/dbraw/zinc/92/47/02/362924702.db2.gz PVFYKRYTKPZJKK-CYBMUJFWSA-N 1 2 293.754 1.797 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cc(Cl)ccc1C#N ZINC000414151359 362924709 /nfs/dbraw/zinc/92/47/09/362924709.db2.gz PVFYKRYTKPZJKK-CYBMUJFWSA-N 1 2 293.754 1.797 20 30 CDEDLO Cc1cc(NC(=O)N2CC[C@@](F)(C#N)C2)c(C)c[nH+]1 ZINC000615539919 348580214 /nfs/dbraw/zinc/58/02/14/348580214.db2.gz AZVNQGJMDDJXJT-CYBMUJFWSA-N 1 2 262.288 1.590 20 30 CDEDLO N#C[C@]1(F)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000615592710 348603801 /nfs/dbraw/zinc/60/38/01/348603801.db2.gz WDFQFBSVAKRZAK-GFCCVEGCSA-N 1 2 250.277 1.127 20 30 CDEDLO N#C[C@]1(F)CCN(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000615538488 348573804 /nfs/dbraw/zinc/57/38/04/348573804.db2.gz OUPCAVMTHCZIBK-CYBMUJFWSA-N 1 2 279.319 1.310 20 30 CDEDLO CC(C)(C#N)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000042106201 348717761 /nfs/dbraw/zinc/71/77/61/348717761.db2.gz RSMUOIBUXIPCJK-UHFFFAOYSA-N 1 2 296.374 1.752 20 30 CDEDLO N#Cc1cccc(C[NH+]2CCN(Cc3cscn3)CC2)n1 ZINC000602448326 350110434 /nfs/dbraw/zinc/11/04/34/350110434.db2.gz IYPNRYCJVLKIDJ-UHFFFAOYSA-N 1 2 299.403 1.728 20 30 CDEDLO Cc1cc(NC(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)ncc1C#N ZINC000603138739 350216566 /nfs/dbraw/zinc/21/65/66/350216566.db2.gz WJNFJURRFANEFT-JQWIXIFHSA-N 1 2 296.334 1.708 20 30 CDEDLO N#Cc1cc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)ccn1 ZINC000603134591 350215115 /nfs/dbraw/zinc/21/51/15/350215115.db2.gz LXUPZIGZLAHCSK-LLVKDONJSA-N 1 2 282.307 1.286 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1cc(F)ccc1F ZINC000569761440 363040863 /nfs/dbraw/zinc/04/08/63/363040863.db2.gz FIWSGLSRGIPMDL-CQSZACIVSA-N 1 2 281.306 1.467 20 30 CDEDLO CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292074502 198154184 /nfs/dbraw/zinc/15/41/84/198154184.db2.gz DADKYLXJQKSRJG-QWHCGFSZSA-N 1 2 289.335 1.358 20 30 CDEDLO CC[C@H](C(=O)OC)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292074502 198154185 /nfs/dbraw/zinc/15/41/85/198154185.db2.gz DADKYLXJQKSRJG-QWHCGFSZSA-N 1 2 289.335 1.358 20 30 CDEDLO C=CCOc1cccc(C[N@H+](C)CCS(C)(=O)=O)c1 ZINC000155159007 188187747 /nfs/dbraw/zinc/18/77/47/188187747.db2.gz YSZWOWNUISDHFN-UHFFFAOYSA-N 1 2 283.393 1.728 20 30 CDEDLO C=CCOc1cccc(C[N@@H+](C)CCS(C)(=O)=O)c1 ZINC000155159007 188187749 /nfs/dbraw/zinc/18/77/49/188187749.db2.gz YSZWOWNUISDHFN-UHFFFAOYSA-N 1 2 283.393 1.728 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1nc2ccccc2o1 ZINC000156210743 188249674 /nfs/dbraw/zinc/24/96/74/188249674.db2.gz GOYRSLOOVPKGSQ-NSHDSACASA-N 1 2 273.336 1.950 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1nc2ccccc2o1 ZINC000156210743 188249675 /nfs/dbraw/zinc/24/96/75/188249675.db2.gz GOYRSLOOVPKGSQ-NSHDSACASA-N 1 2 273.336 1.950 20 30 CDEDLO C#CCN(C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000292592103 198343855 /nfs/dbraw/zinc/34/38/55/198343855.db2.gz VVLVXNFQOHTPME-UHFFFAOYSA-N 1 2 256.309 1.151 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2cccc(F)c2C1 ZINC000157891589 188344698 /nfs/dbraw/zinc/34/46/98/188344698.db2.gz AQGJZCCGLKOHRU-GFCCVEGCSA-N 1 2 289.354 1.944 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCc2cccc(F)c2C1 ZINC000157891589 188344700 /nfs/dbraw/zinc/34/47/00/188344700.db2.gz AQGJZCCGLKOHRU-GFCCVEGCSA-N 1 2 289.354 1.944 20 30 CDEDLO Cc1cccc2[nH+]c(CNC(=O)c3cnccc3C#N)cn21 ZINC000342480086 355928703 /nfs/dbraw/zinc/92/87/03/355928703.db2.gz MHEWYPDDCMZAFK-UHFFFAOYSA-N 1 2 291.314 1.839 20 30 CDEDLO CC#CC[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000186747403 355982193 /nfs/dbraw/zinc/98/21/93/355982193.db2.gz ZINPLSSKPCMUHW-UHFFFAOYSA-N 1 2 290.314 1.702 20 30 CDEDLO Cc1cc(C#N)nc(NCc2cn3cccc(C)c3[nH+]2)n1 ZINC000342562768 355954615 /nfs/dbraw/zinc/95/46/15/355954615.db2.gz XUTYUOGKKBGKQB-UHFFFAOYSA-N 1 2 278.319 1.647 20 30 CDEDLO N#Cc1ccc(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000336360285 356158202 /nfs/dbraw/zinc/15/82/02/356158202.db2.gz KHGADGWXPZUCBK-AWEZNQCLSA-N 1 2 280.331 1.634 20 30 CDEDLO C=C(C)CS(=O)(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000188231512 356361477 /nfs/dbraw/zinc/36/14/77/356361477.db2.gz OWVSCCNHZCJATE-LLVKDONJSA-N 1 2 272.370 1.378 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\COCC(F)(F)F ZINC000493438365 366369841 /nfs/dbraw/zinc/36/98/41/366369841.db2.gz ZVOFGTSYJPISFP-DOGVGXBMSA-N 1 2 293.289 1.082 20 30 CDEDLO N#CCCN(CCC#N)C(=O)CCCn1cc[nH+]c1 ZINC000609166025 356880626 /nfs/dbraw/zinc/88/06/26/356880626.db2.gz AJMCJTJBSYGYBC-UHFFFAOYSA-N 1 2 259.313 1.319 20 30 CDEDLO C=C(C)CN(CC)c1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000298391411 356853346 /nfs/dbraw/zinc/85/33/46/356853346.db2.gz VHXOPVCRRTTXBP-LLVKDONJSA-N 1 2 250.346 1.672 20 30 CDEDLO C=C(C)CN(CC)c1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000298391411 356853348 /nfs/dbraw/zinc/85/33/48/356853348.db2.gz VHXOPVCRRTTXBP-LLVKDONJSA-N 1 2 250.346 1.672 20 30 CDEDLO CN(C)c1cc(C#N)cc(C(=O)Nc2cc[nH+]cc2O)c1 ZINC000344126192 356909851 /nfs/dbraw/zinc/90/98/51/356909851.db2.gz FYLZPYYBIYJREE-UHFFFAOYSA-N 1 2 282.303 1.399 20 30 CDEDLO CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000165432645 356897257 /nfs/dbraw/zinc/89/72/57/356897257.db2.gz FTHUQBDBJSOYRV-UHFFFAOYSA-N 1 2 257.337 1.531 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)s1 ZINC000334375136 357573046 /nfs/dbraw/zinc/57/30/46/357573046.db2.gz DDBVAZHLJVCOSO-SNVBAGLBSA-N 1 2 261.350 1.426 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)s1 ZINC000334375136 357573049 /nfs/dbraw/zinc/57/30/49/357573049.db2.gz DDBVAZHLJVCOSO-SNVBAGLBSA-N 1 2 261.350 1.426 20 30 CDEDLO COCCN1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186288202 357634633 /nfs/dbraw/zinc/63/46/33/357634633.db2.gz GAQPSCPBETWNJU-AWEZNQCLSA-N 1 2 273.380 1.883 20 30 CDEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)n2)C[C@@]2(CCOC2)O1 ZINC000602644283 357697339 /nfs/dbraw/zinc/69/73/39/357697339.db2.gz LXGQNGGRDNGCNU-SWLSCSKDSA-N 1 2 273.336 1.333 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)n2)C[C@@]2(CCOC2)O1 ZINC000602644283 357697341 /nfs/dbraw/zinc/69/73/41/357697341.db2.gz LXGQNGGRDNGCNU-SWLSCSKDSA-N 1 2 273.336 1.333 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H](C)O1 ZINC000189395481 358004464 /nfs/dbraw/zinc/00/44/64/358004464.db2.gz PSKQEAIOJWWVHF-SMDDNHRTSA-N 1 2 278.327 1.933 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H](C)O1 ZINC000189395481 358004467 /nfs/dbraw/zinc/00/44/67/358004467.db2.gz PSKQEAIOJWWVHF-SMDDNHRTSA-N 1 2 278.327 1.933 20 30 CDEDLO COCC#CC[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC000677818124 482793609 /nfs/dbraw/zinc/79/36/09/482793609.db2.gz ZUVUVURNYPDPQX-UHFFFAOYSA-N 1 2 266.385 1.217 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)Cc1ccc(C#N)cc1 ZINC000401762790 358594655 /nfs/dbraw/zinc/59/46/55/358594655.db2.gz WFYGMXIIZDLYHS-UHFFFAOYSA-N 1 2 268.320 1.193 20 30 CDEDLO Cc1cn[nH]c1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000290399740 366489716 /nfs/dbraw/zinc/48/97/16/366489716.db2.gz KGKSUQACMNKDBA-UHFFFAOYSA-N 1 2 295.390 1.908 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1ccnc(Cl)c1 ZINC000493731669 366491145 /nfs/dbraw/zinc/49/11/45/366491145.db2.gz YTSKSSAZHYJYMJ-ZRUQZJFASA-N 1 2 292.770 1.708 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000345823683 358912490 /nfs/dbraw/zinc/91/24/90/358912490.db2.gz XUYJBAVSBMHWIU-UTUOFQBUSA-N 1 2 265.357 1.047 20 30 CDEDLO CN(CCC#N)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495610592 366531717 /nfs/dbraw/zinc/53/17/17/366531717.db2.gz IPZKLZAOGHDWTJ-UHFFFAOYSA-N 1 2 296.415 1.385 20 30 CDEDLO C[N@H+](CCC#N)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495610592 366531720 /nfs/dbraw/zinc/53/17/20/366531720.db2.gz IPZKLZAOGHDWTJ-UHFFFAOYSA-N 1 2 296.415 1.385 20 30 CDEDLO C[N@@H+](CCC#N)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495610592 366531721 /nfs/dbraw/zinc/53/17/21/366531721.db2.gz IPZKLZAOGHDWTJ-UHFFFAOYSA-N 1 2 296.415 1.385 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000027880813 366528813 /nfs/dbraw/zinc/52/88/13/366528813.db2.gz OCPLNTNWRZEXMV-OAHLLOKOSA-N 1 2 285.391 1.255 20 30 CDEDLO COc1cc(C[N@H+](C)CC(=O)NC2CC2)ccc1C#N ZINC000234919052 358989986 /nfs/dbraw/zinc/98/99/86/358989986.db2.gz MGZOLHPYMVLLJG-UHFFFAOYSA-N 1 2 273.336 1.277 20 30 CDEDLO COc1cc(C[N@@H+](C)CC(=O)NC2CC2)ccc1C#N ZINC000234919052 358989990 /nfs/dbraw/zinc/98/99/90/358989990.db2.gz MGZOLHPYMVLLJG-UHFFFAOYSA-N 1 2 273.336 1.277 20 30 CDEDLO Cc1[nH]nc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)c1C#N ZINC000288012790 359145863 /nfs/dbraw/zinc/14/58/63/359145863.db2.gz MALUGQFYCKJNMK-NSHDSACASA-N 1 2 259.313 1.155 20 30 CDEDLO Cc1[nH]nc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)c1C#N ZINC000288012790 359145865 /nfs/dbraw/zinc/14/58/65/359145865.db2.gz MALUGQFYCKJNMK-NSHDSACASA-N 1 2 259.313 1.155 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C(C)(C)C)on2)CC1 ZINC000266058119 359339349 /nfs/dbraw/zinc/33/93/49/359339349.db2.gz BVBJWXKYXUEVCT-UHFFFAOYSA-N 1 2 289.379 1.753 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000270830775 359417123 /nfs/dbraw/zinc/41/71/23/359417123.db2.gz CODPBZNYEQXEIM-SNVBAGLBSA-N 1 2 273.174 1.592 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000270830775 359417124 /nfs/dbraw/zinc/41/71/24/359417124.db2.gz CODPBZNYEQXEIM-SNVBAGLBSA-N 1 2 273.174 1.592 20 30 CDEDLO CC[NH+]1CCN(S(=O)(=O)c2cccc(C)c2C#N)CC1 ZINC000130315903 359395078 /nfs/dbraw/zinc/39/50/78/359395078.db2.gz NGBSCTVNJRHLOX-UHFFFAOYSA-N 1 2 293.392 1.193 20 30 CDEDLO C#CC[N@@H+](Cc1nc2ccccc2c(=O)n1C)C1CC1 ZINC000274206991 359495850 /nfs/dbraw/zinc/49/58/50/359495850.db2.gz SMYUTAWHFNPBIO-UHFFFAOYSA-N 1 2 267.332 1.531 20 30 CDEDLO C#CC[N@H+](Cc1nc2ccccc2c(=O)n1C)C1CC1 ZINC000274206991 359495854 /nfs/dbraw/zinc/49/58/54/359495854.db2.gz SMYUTAWHFNPBIO-UHFFFAOYSA-N 1 2 267.332 1.531 20 30 CDEDLO C#CC[N@@H+](CC(=O)N1CCCC[C@@H]1C(=O)OCC)C1CC1 ZINC000274128269 359492052 /nfs/dbraw/zinc/49/20/52/359492052.db2.gz HVSIMRLHIGIKPD-CQSZACIVSA-N 1 2 292.379 1.028 20 30 CDEDLO C#CC[N@H+](CC(=O)N1CCCC[C@@H]1C(=O)OCC)C1CC1 ZINC000274128269 359492056 /nfs/dbraw/zinc/49/20/56/359492056.db2.gz HVSIMRLHIGIKPD-CQSZACIVSA-N 1 2 292.379 1.028 20 30 CDEDLO CC#CCN(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000297381103 200170270 /nfs/dbraw/zinc/17/02/70/200170270.db2.gz JTDZDNMUIJILBH-UHFFFAOYSA-N 1 2 286.379 1.847 20 30 CDEDLO CN1CC[N@H+](C)[C@H](CNc2ccc(C#N)c([N+](=O)[O-])c2)C1 ZINC000094591969 359934059 /nfs/dbraw/zinc/93/40/59/359934059.db2.gz TWFNGQJZYVNBRA-CYBMUJFWSA-N 1 2 289.339 1.124 20 30 CDEDLO CN1CC[N@@H+](C)[C@H](CNc2ccc(C#N)c([N+](=O)[O-])c2)C1 ZINC000094591969 359934063 /nfs/dbraw/zinc/93/40/63/359934063.db2.gz TWFNGQJZYVNBRA-CYBMUJFWSA-N 1 2 289.339 1.124 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)C(=O)OC ZINC000348358514 360024840 /nfs/dbraw/zinc/02/48/40/360024840.db2.gz LAIQFJDLLRJJAA-XQQFMLRXSA-N 1 2 253.342 1.509 20 30 CDEDLO C=CCOC[C@H]([NH2+]CC1(SC)CC1)C(=O)OC ZINC000348360001 360025781 /nfs/dbraw/zinc/02/57/81/360025781.db2.gz PHDGVZOKDVSJOU-JTQLQIEISA-N 1 2 259.371 1.216 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)C1=O ZINC000337184354 360029049 /nfs/dbraw/zinc/02/90/49/360029049.db2.gz NSHYZFJVJQFZIY-PWSUYJOCSA-N 1 2 292.301 1.163 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@](O)(C(F)(F)F)C2)C1=O ZINC000337184354 360029056 /nfs/dbraw/zinc/02/90/56/360029056.db2.gz NSHYZFJVJQFZIY-PWSUYJOCSA-N 1 2 292.301 1.163 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)s1 ZINC000562462214 359995614 /nfs/dbraw/zinc/99/56/14/359995614.db2.gz IEYBRQMHAVPRSW-UHFFFAOYSA-N 1 2 294.361 1.062 20 30 CDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)NC1CC1 ZINC000298244370 200370126 /nfs/dbraw/zinc/37/01/26/200370126.db2.gz SNYHSLZNQCJFBB-GFCCVEGCSA-N 1 2 274.339 1.928 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)NC1CC1 ZINC000298244370 200370127 /nfs/dbraw/zinc/37/01/27/200370127.db2.gz SNYHSLZNQCJFBB-GFCCVEGCSA-N 1 2 274.339 1.928 20 30 CDEDLO C=CCN(C)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000121367996 360239129 /nfs/dbraw/zinc/23/91/29/360239129.db2.gz HYVQMDMBIWIVAR-UHFFFAOYSA-N 1 2 284.319 1.455 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)CCO1 ZINC000093528530 360299006 /nfs/dbraw/zinc/29/90/06/360299006.db2.gz JCJVHKGASHBVJM-CJNGLKHVSA-N 1 2 290.363 1.825 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)CCO1 ZINC000093528530 360299011 /nfs/dbraw/zinc/29/90/11/360299011.db2.gz JCJVHKGASHBVJM-CJNGLKHVSA-N 1 2 290.363 1.825 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000177263301 189040273 /nfs/dbraw/zinc/04/02/73/189040273.db2.gz HKXMECPQKARWKA-HNNXBMFYSA-N 1 2 287.338 1.940 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000177263301 189040274 /nfs/dbraw/zinc/04/02/74/189040274.db2.gz HKXMECPQKARWKA-HNNXBMFYSA-N 1 2 287.338 1.940 20 30 CDEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCC#Cc1cccc(F)c1 ZINC000338231102 360768522 /nfs/dbraw/zinc/76/85/22/360768522.db2.gz APHOKMJBGRWRLG-OAHLLOKOSA-N 1 2 290.338 1.014 20 30 CDEDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCC#Cc1cccc(F)c1 ZINC000338231102 360768525 /nfs/dbraw/zinc/76/85/25/360768525.db2.gz APHOKMJBGRWRLG-OAHLLOKOSA-N 1 2 290.338 1.014 20 30 CDEDLO N#Cc1cccc([C@@H]2C[N@H+](CCCCO)CCO2)c1 ZINC000367130642 360946038 /nfs/dbraw/zinc/94/60/38/360946038.db2.gz ZWSHYCZJNVJADX-HNNXBMFYSA-N 1 2 260.337 1.704 20 30 CDEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCCCO)CCO2)c1 ZINC000367130642 360946041 /nfs/dbraw/zinc/94/60/41/360946041.db2.gz ZWSHYCZJNVJADX-HNNXBMFYSA-N 1 2 260.337 1.704 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCOC2(CCCC2)C1)C1CC1 ZINC000158065903 361092634 /nfs/dbraw/zinc/09/26/34/361092634.db2.gz JHUDBIOJAOWTJB-OAHLLOKOSA-N 1 2 291.395 1.440 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCOC2(CCCC2)C1)C1CC1 ZINC000158065903 361092640 /nfs/dbraw/zinc/09/26/40/361092640.db2.gz JHUDBIOJAOWTJB-OAHLLOKOSA-N 1 2 291.395 1.440 20 30 CDEDLO C[N@H+](CC(=O)NCc1ccc(F)cc1)CC(C)(C)C#N ZINC000433294659 361228094 /nfs/dbraw/zinc/22/80/94/361228094.db2.gz NBQZFPXUDLHELR-UHFFFAOYSA-N 1 2 277.343 1.923 20 30 CDEDLO C[N@@H+](CC(=O)NCc1ccc(F)cc1)CC(C)(C)C#N ZINC000433294659 361228099 /nfs/dbraw/zinc/22/80/99/361228099.db2.gz NBQZFPXUDLHELR-UHFFFAOYSA-N 1 2 277.343 1.923 20 30 CDEDLO CC[C@@H](C)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C#N)C(=O)OC ZINC000433302967 361229505 /nfs/dbraw/zinc/22/95/05/361229505.db2.gz KDDCKJSGYQEXIP-YPMHNXCESA-N 1 2 297.399 1.172 20 30 CDEDLO CC[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C#N)C(=O)OC ZINC000433302967 361229509 /nfs/dbraw/zinc/22/95/09/361229509.db2.gz KDDCKJSGYQEXIP-YPMHNXCESA-N 1 2 297.399 1.172 20 30 CDEDLO CC(C)Oc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccn1 ZINC000566309934 370680392 /nfs/dbraw/zinc/68/03/92/370680392.db2.gz YCMJVJOGDPYJQY-HNNXBMFYSA-N 1 2 290.367 1.442 20 30 CDEDLO O=C(NCCn1cc[nH+]c1)N1CCC[C@@H]1C1CCOCC1 ZINC000329409865 361502893 /nfs/dbraw/zinc/50/28/93/361502893.db2.gz BROAVTYPQOKQFU-CQSZACIVSA-N 1 2 292.383 1.688 20 30 CDEDLO [O-]C(=[NH+]CCn1cc[nH+]c1)N1CCC[C@@H]1C1CCOCC1 ZINC000329409865 361502896 /nfs/dbraw/zinc/50/28/96/361502896.db2.gz BROAVTYPQOKQFU-CQSZACIVSA-N 1 2 292.383 1.688 20 30 CDEDLO C[C@@H](Nc1snc(Cl)c1C#N)[C@H]1C[N@H+](C)CCO1 ZINC000301744726 201172623 /nfs/dbraw/zinc/17/26/23/201172623.db2.gz GQWONENSKDPZDK-VXNVDRBHSA-N 1 2 286.788 1.799 20 30 CDEDLO C[C@@H](Nc1snc(Cl)c1C#N)[C@H]1C[N@@H+](C)CCO1 ZINC000301744726 201172625 /nfs/dbraw/zinc/17/26/25/201172625.db2.gz GQWONENSKDPZDK-VXNVDRBHSA-N 1 2 286.788 1.799 20 30 CDEDLO C[C@@H]1OCC[C@]1(C)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000329581127 361554718 /nfs/dbraw/zinc/55/47/18/361554718.db2.gz VABQWRUFMBRYDI-WFASDCNBSA-N 1 2 299.415 1.168 20 30 CDEDLO C[C@@H]1OCC[C@]1(C)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000329581127 361554723 /nfs/dbraw/zinc/55/47/23/361554723.db2.gz VABQWRUFMBRYDI-WFASDCNBSA-N 1 2 299.415 1.168 20 30 CDEDLO C[N@H+](CCN1CCCC1=O)Cc1cc(F)ccc1C#N ZINC000160385106 363846694 /nfs/dbraw/zinc/84/66/94/363846694.db2.gz NEQAZKGGMCSBSW-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO C[N@@H+](CCN1CCCC1=O)Cc1cc(F)ccc1C#N ZINC000160385106 363846698 /nfs/dbraw/zinc/84/66/98/363846698.db2.gz NEQAZKGGMCSBSW-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000249334283 364538217 /nfs/dbraw/zinc/53/82/17/364538217.db2.gz HWXLEPNTAKCQTB-CABCVRRESA-N 1 2 288.347 1.365 20 30 CDEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000249334283 364538222 /nfs/dbraw/zinc/53/82/22/364538222.db2.gz HWXLEPNTAKCQTB-CABCVRRESA-N 1 2 288.347 1.365 20 30 CDEDLO C#CC[N@@H+](C)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000192223936 189616738 /nfs/dbraw/zinc/61/67/38/189616738.db2.gz YTZTXMKQLLITGA-UHFFFAOYSA-N 1 2 261.350 1.666 20 30 CDEDLO C#CC[N@H+](C)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000192223936 189616739 /nfs/dbraw/zinc/61/67/39/189616739.db2.gz YTZTXMKQLLITGA-UHFFFAOYSA-N 1 2 261.350 1.666 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCOCc2ccccc2)nn1 ZINC000640941087 364763482 /nfs/dbraw/zinc/76/34/82/364763482.db2.gz RIKSYWIHISKWTK-UHFFFAOYSA-N 1 2 284.363 1.608 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)N1CCC(CCC#N)CC1 ZINC000582238265 364806543 /nfs/dbraw/zinc/80/65/43/364806543.db2.gz WHSJMFXPUNGAII-UHFFFAOYSA-N 1 2 275.356 1.645 20 30 CDEDLO Cc1c[nH+]ccc1NC(=O)c1cc(O)cc(C#N)c1 ZINC000589185864 364898515 /nfs/dbraw/zinc/89/85/15/364898515.db2.gz XHCLVQCQKZNYIV-UHFFFAOYSA-N 1 2 253.261 1.642 20 30 CDEDLO C=C(C)COCCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000353957063 365392294 /nfs/dbraw/zinc/39/22/94/365392294.db2.gz YXLHIDYZTNFIDX-LBPRGKRZSA-N 1 2 266.345 1.164 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000271004245 366954785 /nfs/dbraw/zinc/95/47/85/366954785.db2.gz GVESPLJULKXWJD-CYBMUJFWSA-N 1 2 273.336 1.229 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000271004245 366954793 /nfs/dbraw/zinc/95/47/93/366954793.db2.gz GVESPLJULKXWJD-CYBMUJFWSA-N 1 2 273.336 1.229 20 30 CDEDLO CCn1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cn1 ZINC000271026220 366958359 /nfs/dbraw/zinc/95/83/59/366958359.db2.gz DSARNZKABFXBDP-UHFFFAOYSA-N 1 2 296.378 1.492 20 30 CDEDLO Cn1nncc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000271057449 366963834 /nfs/dbraw/zinc/96/38/34/366963834.db2.gz UKXYYOQPQOIOMZ-UHFFFAOYSA-N 1 2 267.336 1.851 20 30 CDEDLO Cn1nncc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000271057449 366963843 /nfs/dbraw/zinc/96/38/43/366963843.db2.gz UKXYYOQPQOIOMZ-UHFFFAOYSA-N 1 2 267.336 1.851 20 30 CDEDLO Cc1ccc(C#N)c(N(C)CC[NH+]2CCOCC2)n1 ZINC000161126830 367217944 /nfs/dbraw/zinc/21/79/44/367217944.db2.gz MMAGDLHZPXZTLV-UHFFFAOYSA-N 1 2 260.341 1.030 20 30 CDEDLO C=CCN(CCOC)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000357826975 367236566 /nfs/dbraw/zinc/23/65/66/367236566.db2.gz NEXCBYMMCZIUFL-CYBMUJFWSA-N 1 2 292.383 1.715 20 30 CDEDLO C=C[C@@H](CO)NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000358764978 367900121 /nfs/dbraw/zinc/90/01/21/367900121.db2.gz DCOUIUZKSYBXNE-ZDUSSCGKSA-N 1 2 286.335 1.218 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCC1(c2ccccc2)CC1 ZINC000076186015 369506225 /nfs/dbraw/zinc/50/62/25/369506225.db2.gz GMXTWZOLHYIEAJ-UHFFFAOYSA-N 1 2 280.371 1.403 20 30 CDEDLO Cc1ccnc(NCC[N@@H+]2CCO[C@@H](C)C2)c1C#N ZINC000543136257 370328457 /nfs/dbraw/zinc/32/84/57/370328457.db2.gz NTXMXHCXJPEYEP-LBPRGKRZSA-N 1 2 260.341 1.394 20 30 CDEDLO Cc1ccnc(NCC[N@H+]2CCO[C@@H](C)C2)c1C#N ZINC000543136257 370328459 /nfs/dbraw/zinc/32/84/59/370328459.db2.gz NTXMXHCXJPEYEP-LBPRGKRZSA-N 1 2 260.341 1.394 20 30 CDEDLO Cn1cc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)cc1C#N ZINC000331676571 204065110 /nfs/dbraw/zinc/06/51/10/204065110.db2.gz SSKHGQCKBUPMJQ-CQSZACIVSA-N 1 2 295.408 1.296 20 30 CDEDLO Cn1cc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)CC2)cc1C#N ZINC000331676571 204065111 /nfs/dbraw/zinc/06/51/11/204065111.db2.gz SSKHGQCKBUPMJQ-CQSZACIVSA-N 1 2 295.408 1.296 20 30 CDEDLO Cc1onc(CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1C#N ZINC000331682120 204069361 /nfs/dbraw/zinc/06/93/61/204069361.db2.gz SSZHPSSDJQDUDH-UHFFFAOYSA-N 1 2 299.334 1.527 20 30 CDEDLO Cc1onc(CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1C#N ZINC000331682120 204069364 /nfs/dbraw/zinc/06/93/64/204069364.db2.gz SSZHPSSDJQDUDH-UHFFFAOYSA-N 1 2 299.334 1.527 20 30 CDEDLO COC(=O)c1cc(C[N@H+](CCC#N)C(C)C)cn1C ZINC000569274064 371252068 /nfs/dbraw/zinc/25/20/68/371252068.db2.gz WFCWJSNCKYETKE-UHFFFAOYSA-N 1 2 263.341 1.936 20 30 CDEDLO COC(=O)c1cc(C[N@@H+](CCC#N)C(C)C)cn1C ZINC000569274064 371252077 /nfs/dbraw/zinc/25/20/77/371252077.db2.gz WFCWJSNCKYETKE-UHFFFAOYSA-N 1 2 263.341 1.936 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000191982531 371700489 /nfs/dbraw/zinc/70/04/89/371700489.db2.gz IHGJNBUOFIHYSJ-AWEZNQCLSA-N 1 2 275.327 1.798 20 30 CDEDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000191982531 371700498 /nfs/dbraw/zinc/70/04/98/371700498.db2.gz IHGJNBUOFIHYSJ-AWEZNQCLSA-N 1 2 275.327 1.798 20 30 CDEDLO N#Cc1cncnc1NCc1ccccc1-n1cc[nH+]c1 ZINC000577898551 372163311 /nfs/dbraw/zinc/16/33/11/372163311.db2.gz BTOLJGQSIBEWGR-UHFFFAOYSA-N 1 2 276.303 1.568 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)on1 ZINC000044949617 372208991 /nfs/dbraw/zinc/20/89/91/372208991.db2.gz BEFJOGXZRALVOV-UHFFFAOYSA-N 1 2 283.335 1.572 20 30 CDEDLO COCCO[C@@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000179357046 372274159 /nfs/dbraw/zinc/27/41/59/372274159.db2.gz DKZBLBWXJYBDHV-UONOGXRCSA-N 1 2 265.357 1.557 20 30 CDEDLO COCCO[C@@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000179357046 372274163 /nfs/dbraw/zinc/27/41/63/372274163.db2.gz DKZBLBWXJYBDHV-UONOGXRCSA-N 1 2 265.357 1.557 20 30 CDEDLO N#C[C@H]1[N@H+](CCC2(O)CC2)CCC[C@]12CCCCO2 ZINC000580814022 372700794 /nfs/dbraw/zinc/70/07/94/372700794.db2.gz ZZGNNQQZNLOCSG-UKRRQHHQSA-N 1 2 264.369 1.829 20 30 CDEDLO N#C[C@H]1[N@@H+](CCC2(O)CC2)CCC[C@]12CCCCO2 ZINC000580814022 372700801 /nfs/dbraw/zinc/70/08/01/372700801.db2.gz ZZGNNQQZNLOCSG-UKRRQHHQSA-N 1 2 264.369 1.829 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000341436230 373692263 /nfs/dbraw/zinc/69/22/63/373692263.db2.gz SPFGIXVZRKUXHV-HUUCEWRRSA-N 1 2 295.427 1.847 20 30 CDEDLO Cc1nonc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000299189638 373892020 /nfs/dbraw/zinc/89/20/20/373892020.db2.gz FOAORXVSQZADPW-UHFFFAOYSA-N 1 2 297.362 1.568 20 30 CDEDLO N#Cc1nccnc1NCc1cn2ccccc2[nH+]1 ZINC000301186032 373871123 /nfs/dbraw/zinc/87/11/23/373871123.db2.gz PKICMSZKRUTDHM-UHFFFAOYSA-N 1 2 250.265 1.608 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1nnc(CC(C)C)s1 ZINC000491285729 261399839 /nfs/dbraw/zinc/39/98/39/261399839.db2.gz FNISTPKRJCKAGR-SNVBAGLBSA-N 1 2 280.397 1.629 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1nnc(CC(C)C)s1 ZINC000491285729 261399841 /nfs/dbraw/zinc/39/98/41/261399841.db2.gz FNISTPKRJCKAGR-SNVBAGLBSA-N 1 2 280.397 1.629 20 30 CDEDLO C[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)c1cccc(C#N)c1 ZINC000360149796 374003516 /nfs/dbraw/zinc/00/35/16/374003516.db2.gz JSFWLKIGDYBLCC-SWLSCSKDSA-N 1 2 287.363 1.109 20 30 CDEDLO C[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1cccc(C#N)c1 ZINC000360149796 374003519 /nfs/dbraw/zinc/00/35/19/374003519.db2.gz JSFWLKIGDYBLCC-SWLSCSKDSA-N 1 2 287.363 1.109 20 30 CDEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)s2)C[C@H](C)[NH+]1C ZINC000230346669 374035553 /nfs/dbraw/zinc/03/55/53/374035553.db2.gz GOWIDDVNBLFPFP-UWVGGRQHSA-N 1 2 299.421 1.333 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000342259796 374062274 /nfs/dbraw/zinc/06/22/74/374062274.db2.gz HWRHCJCTDFNMKT-RBSFLKMASA-N 1 2 296.411 1.289 20 30 CDEDLO N#Cc1ccncc1N1CC[NH+](Cc2cccnc2N)CC1 ZINC000516244906 374175267 /nfs/dbraw/zinc/17/52/67/374175267.db2.gz CXSNSXIMGWVDPI-UHFFFAOYSA-N 1 2 294.362 1.253 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](O)C[C@@H]2C)c(C#N)c1C ZINC000292288364 374284400 /nfs/dbraw/zinc/28/44/00/374284400.db2.gz CHMWAOFOKHQMHV-CABZTGNLSA-N 1 2 291.351 1.552 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](O)C[C@@H]2C)c(C#N)c1C ZINC000292288364 374284408 /nfs/dbraw/zinc/28/44/08/374284408.db2.gz CHMWAOFOKHQMHV-CABZTGNLSA-N 1 2 291.351 1.552 20 30 CDEDLO Cc1cc(CNC(=O)CNc2ccc(C#N)cn2)cc(C)[nH+]1 ZINC000421918683 374342005 /nfs/dbraw/zinc/34/20/05/374342005.db2.gz KVHRWGXAQFPZMH-UHFFFAOYSA-N 1 2 295.346 1.115 20 30 CDEDLO C[N@H+](Cc1ccco1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115531754 374412525 /nfs/dbraw/zinc/41/25/25/374412525.db2.gz UZYMZJAMRCHTHQ-CQSZACIVSA-N 1 2 269.304 1.810 20 30 CDEDLO C[N@@H+](Cc1ccco1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115531754 374412529 /nfs/dbraw/zinc/41/25/29/374412529.db2.gz UZYMZJAMRCHTHQ-CQSZACIVSA-N 1 2 269.304 1.810 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@]2(CCOC2)O1 ZINC000280111409 374981712 /nfs/dbraw/zinc/98/17/12/374981712.db2.gz AZWDJUKOTKMRMT-BXUZGUMPSA-N 1 2 278.377 2.000 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@]2(CCOC2)O1 ZINC000280111409 374981714 /nfs/dbraw/zinc/98/17/14/374981714.db2.gz AZWDJUKOTKMRMT-BXUZGUMPSA-N 1 2 278.377 2.000 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000280668979 375012681 /nfs/dbraw/zinc/01/26/81/375012681.db2.gz PRFFVHDQWQZJEL-UHFFFAOYSA-N 1 2 291.351 1.300 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000280668979 375012687 /nfs/dbraw/zinc/01/26/87/375012687.db2.gz PRFFVHDQWQZJEL-UHFFFAOYSA-N 1 2 291.351 1.300 20 30 CDEDLO Cc1cnc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cn1 ZINC000332402946 375029597 /nfs/dbraw/zinc/02/95/97/375029597.db2.gz VJUYVDLCPMMWTI-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000129605664 375215960 /nfs/dbraw/zinc/21/59/60/375215960.db2.gz RDKAWVQNSIJBNA-LLVKDONJSA-N 1 2 278.356 1.085 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000129605664 375215971 /nfs/dbraw/zinc/21/59/71/375215971.db2.gz RDKAWVQNSIJBNA-LLVKDONJSA-N 1 2 278.356 1.085 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@H+](CC)C[C@@H](C)C#N ZINC000049000603 375390693 /nfs/dbraw/zinc/39/06/93/375390693.db2.gz VWERUCIHNRWGDG-NSHDSACASA-N 1 2 268.361 1.094 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@@H+](CC)C[C@@H](C)C#N ZINC000049000603 375390696 /nfs/dbraw/zinc/39/06/96/375390696.db2.gz VWERUCIHNRWGDG-NSHDSACASA-N 1 2 268.361 1.094 20 30 CDEDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000496020020 375703039 /nfs/dbraw/zinc/70/30/39/375703039.db2.gz JSDQJOTZKNIZHX-ZDUSSCGKSA-N 1 2 291.326 1.970 20 30 CDEDLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000496020020 375703046 /nfs/dbraw/zinc/70/30/46/375703046.db2.gz JSDQJOTZKNIZHX-ZDUSSCGKSA-N 1 2 291.326 1.970 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000054392611 375751580 /nfs/dbraw/zinc/75/15/80/375751580.db2.gz PJIJNOATNMTEGQ-LBPRGKRZSA-N 1 2 299.374 1.141 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000054392611 375751586 /nfs/dbraw/zinc/75/15/86/375751586.db2.gz PJIJNOATNMTEGQ-LBPRGKRZSA-N 1 2 299.374 1.141 20 30 CDEDLO C=CCCn1cc(C[NH+]2CC([C@H]3CCOC3)C2)nn1 ZINC000668092294 483064233 /nfs/dbraw/zinc/06/42/33/483064233.db2.gz AZZIXQDTWPHBCP-LBPRGKRZSA-N 1 2 262.357 1.323 20 30 CDEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)N[C@H]1CC[C@H](O)CC1 ZINC000328770630 375951745 /nfs/dbraw/zinc/95/17/45/375951745.db2.gz CNTLWWXHRUTDSK-JHJVBQTASA-N 1 2 292.383 1.568 20 30 CDEDLO CC(C)(O)CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000330979569 376412555 /nfs/dbraw/zinc/41/25/55/376412555.db2.gz IYQASBUGAPPQNM-UHFFFAOYSA-N 1 2 292.379 1.594 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000331040715 376470780 /nfs/dbraw/zinc/47/07/80/376470780.db2.gz CYGSMHXXHSXBJH-GFCCVEGCSA-N 1 2 267.373 1.248 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000331040715 376470786 /nfs/dbraw/zinc/47/07/86/376470786.db2.gz CYGSMHXXHSXBJH-GFCCVEGCSA-N 1 2 267.373 1.248 20 30 CDEDLO C[N@H+](CC(=O)NC1CC1)Cc1cc(C#N)ccc1F ZINC000053906519 376688170 /nfs/dbraw/zinc/68/81/70/376688170.db2.gz VOTVAKBDBALDTF-UHFFFAOYSA-N 1 2 261.300 1.408 20 30 CDEDLO C[N@@H+](CC(=O)NC1CC1)Cc1cc(C#N)ccc1F ZINC000053906519 376688172 /nfs/dbraw/zinc/68/81/72/376688172.db2.gz VOTVAKBDBALDTF-UHFFFAOYSA-N 1 2 261.300 1.408 20 30 CDEDLO C=CC[NH+]1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000072577158 377142441 /nfs/dbraw/zinc/14/24/41/377142441.db2.gz DQTOSPRSFZLTOY-UHFFFAOYSA-N 1 2 280.393 1.320 20 30 CDEDLO Cn1ccc2c1cccc2NC[C@H](O)C[N@H+](C)CCC#N ZINC000571910419 377599597 /nfs/dbraw/zinc/59/95/97/377599597.db2.gz XHSWUJWBKIXRFM-ZDUSSCGKSA-N 1 2 286.379 1.797 20 30 CDEDLO Cn1ccc2c1cccc2NC[C@H](O)C[N@@H+](C)CCC#N ZINC000571910419 377599599 /nfs/dbraw/zinc/59/95/99/377599599.db2.gz XHSWUJWBKIXRFM-ZDUSSCGKSA-N 1 2 286.379 1.797 20 30 CDEDLO C[C@H](C#N)C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000572133768 377733750 /nfs/dbraw/zinc/73/37/50/377733750.db2.gz MGWCECVBSSTRHK-SECBINFHSA-N 1 2 259.300 1.239 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](CC)CC(=O)NCC ZINC000133517846 377918475 /nfs/dbraw/zinc/91/84/75/377918475.db2.gz MFSBLDFLYOSCBE-CYBMUJFWSA-N 1 2 283.416 1.258 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](CC)CC(=O)NCC ZINC000133517846 377918482 /nfs/dbraw/zinc/91/84/82/377918482.db2.gz MFSBLDFLYOSCBE-CYBMUJFWSA-N 1 2 283.416 1.258 20 30 CDEDLO C#CCNC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000280380456 377953635 /nfs/dbraw/zinc/95/36/35/377953635.db2.gz LRKZGBSHKAIOJN-GFCCVEGCSA-N 1 2 260.341 1.773 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1[nH+]ccn1C ZINC000280610603 377968770 /nfs/dbraw/zinc/96/87/70/377968770.db2.gz AVVFBOUOGKBMSE-DGCLKSJQSA-N 1 2 278.356 1.201 20 30 CDEDLO C=CCn1c(C)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000282204005 378029538 /nfs/dbraw/zinc/02/95/38/378029538.db2.gz HHHUKMBUUHADJF-UHFFFAOYSA-N 1 2 287.367 1.688 20 30 CDEDLO CC#CC[C@@H](CO)Nc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000645404810 378152745 /nfs/dbraw/zinc/15/27/45/378152745.db2.gz OGQYESMYEQZMLD-HNNXBMFYSA-N 1 2 296.374 1.764 20 30 CDEDLO Cn1cc[nH+]c1CN1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000563859968 378359168 /nfs/dbraw/zinc/35/91/68/378359168.db2.gz POXXGZBWYJLMEG-DZGCQCFKSA-N 1 2 274.368 1.847 20 30 CDEDLO C#Cc1ccc(C[N@H+]2CCN(C(C)C)C(=O)C2)cc1 ZINC000290402543 378394507 /nfs/dbraw/zinc/39/45/07/378394507.db2.gz PKRLQRSMDVWEBH-UHFFFAOYSA-N 1 2 256.349 1.721 20 30 CDEDLO C#Cc1ccc(C[N@@H+]2CCN(C(C)C)C(=O)C2)cc1 ZINC000290402543 378394511 /nfs/dbraw/zinc/39/45/11/378394511.db2.gz PKRLQRSMDVWEBH-UHFFFAOYSA-N 1 2 256.349 1.721 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000296703324 378745071 /nfs/dbraw/zinc/74/50/71/378745071.db2.gz MPIUPSHNOCBBMJ-VXGBXAGGSA-N 1 2 250.346 1.659 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000296703324 378745076 /nfs/dbraw/zinc/74/50/76/378745076.db2.gz MPIUPSHNOCBBMJ-VXGBXAGGSA-N 1 2 250.346 1.659 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+](CCC)CC(=O)OC(C)(C)C ZINC000186300560 378847161 /nfs/dbraw/zinc/84/71/61/378847161.db2.gz VQOULMGCSCHZFR-LBPRGKRZSA-N 1 2 284.400 1.731 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+](CCC)CC(=O)OC(C)(C)C ZINC000186300560 378847163 /nfs/dbraw/zinc/84/71/63/378847163.db2.gz VQOULMGCSCHZFR-LBPRGKRZSA-N 1 2 284.400 1.731 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@@H](C)c1nnnn1C1CCCCC1 ZINC000662168674 412917496 /nfs/dbraw/zinc/91/74/96/412917496.db2.gz QDWJRDKIPYHCGT-WDEREUQCSA-N 1 2 265.361 1.376 20 30 CDEDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)s1 ZINC000184997801 262036751 /nfs/dbraw/zinc/03/67/51/262036751.db2.gz JUCGGXQHVSACIP-QMTHXVAHSA-N 1 2 292.408 1.911 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)/C=C/c1cccc(C#N)c1 ZINC000492530866 253239597 /nfs/dbraw/zinc/23/95/97/253239597.db2.gz GYPWNYIUAQIWFC-AATRIKPKSA-N 1 2 280.331 1.664 20 30 CDEDLO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(F)(C#N)CC1 ZINC000352491285 533191372 /nfs/dbraw/zinc/19/13/72/533191372.db2.gz PLRSARTUWWWWJD-ZDUSSCGKSA-N 1 2 281.375 1.961 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccnn2CC)C1=O ZINC000281388561 195220557 /nfs/dbraw/zinc/22/05/57/195220557.db2.gz WSMHFGBVDVWYIT-CYBMUJFWSA-N 1 2 262.357 1.122 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccnn2CC)C1=O ZINC000281388561 195220559 /nfs/dbraw/zinc/22/05/59/195220559.db2.gz WSMHFGBVDVWYIT-CYBMUJFWSA-N 1 2 262.357 1.122 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccnc(Cl)c2)C1=O ZINC000281393355 195223802 /nfs/dbraw/zinc/22/38/02/195223802.db2.gz PYQZSKKCYSFESW-LBPRGKRZSA-N 1 2 279.771 1.954 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccnc(Cl)c2)C1=O ZINC000281393355 195223805 /nfs/dbraw/zinc/22/38/05/195223805.db2.gz PYQZSKKCYSFESW-LBPRGKRZSA-N 1 2 279.771 1.954 20 30 CDEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@H](F)C3)C2=O)cc1 ZINC000336261053 390180005 /nfs/dbraw/zinc/18/00/05/390180005.db2.gz KBHAFVSAKIWICR-JSGCOSHPSA-N 1 2 273.311 1.707 20 30 CDEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@H](F)C3)C2=O)cc1 ZINC000336261053 390180007 /nfs/dbraw/zinc/18/00/07/390180007.db2.gz KBHAFVSAKIWICR-JSGCOSHPSA-N 1 2 273.311 1.707 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000299333742 390426159 /nfs/dbraw/zinc/42/61/59/390426159.db2.gz PXVGSFKVINUEBC-RBSFLKMASA-N 1 2 260.381 1.733 20 30 CDEDLO C=C(CC)CN1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000358507073 390664601 /nfs/dbraw/zinc/66/46/01/390664601.db2.gz KUIJOYQIFJJZPY-OAHLLOKOSA-N 1 2 279.428 1.581 20 30 CDEDLO N#CCNC(=O)C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000115560722 390814964 /nfs/dbraw/zinc/81/49/64/390814964.db2.gz QOUJPJKAWAAUDH-CYBMUJFWSA-N 1 2 275.377 1.416 20 30 CDEDLO N#CCNC(=O)C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000115560722 390814968 /nfs/dbraw/zinc/81/49/68/390814968.db2.gz QOUJPJKAWAAUDH-CYBMUJFWSA-N 1 2 275.377 1.416 20 30 CDEDLO CCCn1nc(C)c(C[NH+]2CCN(CC#N)CC2)c1C ZINC000092936099 390897998 /nfs/dbraw/zinc/89/79/98/390897998.db2.gz AUYNRQLSQMNZSL-UHFFFAOYSA-N 1 2 275.400 1.551 20 30 CDEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H](C(N)=O)O1 ZINC000156951059 390924113 /nfs/dbraw/zinc/92/41/13/390924113.db2.gz XIRDCFJVGUCPAM-BXUZGUMPSA-N 1 2 292.766 1.266 20 30 CDEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H](C(N)=O)O1 ZINC000156951059 390924114 /nfs/dbraw/zinc/92/41/14/390924114.db2.gz XIRDCFJVGUCPAM-BXUZGUMPSA-N 1 2 292.766 1.266 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N[C@H](C)c1ccccc1OC ZINC000293027757 391020923 /nfs/dbraw/zinc/02/09/23/391020923.db2.gz FZRHXRYRUYXWIC-CYBMUJFWSA-N 1 2 274.364 1.828 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N[C@H](C)c1ccccc1OC ZINC000293027757 391020925 /nfs/dbraw/zinc/02/09/25/391020925.db2.gz FZRHXRYRUYXWIC-CYBMUJFWSA-N 1 2 274.364 1.828 20 30 CDEDLO Cn1cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c(C2CC2)n1 ZINC000329600212 391027394 /nfs/dbraw/zinc/02/73/94/391027394.db2.gz KARQVIWPLIGGNV-NSHDSACASA-N 1 2 285.351 1.814 20 30 CDEDLO C[C@H](C#N)CN(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000268497256 391218008 /nfs/dbraw/zinc/21/80/08/391218008.db2.gz ABZQGDAYSULOGJ-LLVKDONJSA-N 1 2 271.324 1.635 20 30 CDEDLO COC(=O)c1ccccc1OCC[N@H+](C)CCC#N ZINC000182221800 391232933 /nfs/dbraw/zinc/23/29/33/391232933.db2.gz YUBDUYATCNWNSM-UHFFFAOYSA-N 1 2 262.309 1.697 20 30 CDEDLO COC(=O)c1ccccc1OCC[N@@H+](C)CCC#N ZINC000182221800 391232937 /nfs/dbraw/zinc/23/29/37/391232937.db2.gz YUBDUYATCNWNSM-UHFFFAOYSA-N 1 2 262.309 1.697 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269679025 391255067 /nfs/dbraw/zinc/25/50/67/391255067.db2.gz XUDKAONLICOLGX-MFKMUULPSA-N 1 2 263.297 1.862 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269679025 391255069 /nfs/dbraw/zinc/25/50/69/391255069.db2.gz XUDKAONLICOLGX-MFKMUULPSA-N 1 2 263.297 1.862 20 30 CDEDLO C#CCOCCC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000375947279 391208155 /nfs/dbraw/zinc/20/81/55/391208155.db2.gz MJXHJASIIMTWRW-CYBMUJFWSA-N 1 2 275.352 1.166 20 30 CDEDLO CCOC(=O)C[C@H](C)C/[NH+]=C/c1c(CO)cnc(C)c1O ZINC000270522912 391276514 /nfs/dbraw/zinc/27/65/14/391276514.db2.gz TZZLQMDZVFSUFJ-MDKXCRPYSA-N 1 2 294.351 1.596 20 30 CDEDLO CC(F)(F)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000345682978 391305909 /nfs/dbraw/zinc/30/59/09/391305909.db2.gz OCTVSJSLHZNPGY-UHFFFAOYSA-N 1 2 289.326 1.106 20 30 CDEDLO COC1(C)C[NH+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000353031021 391322962 /nfs/dbraw/zinc/32/29/62/391322962.db2.gz UKVVLFLIAJEPCB-AWEZNQCLSA-N 1 2 290.363 1.213 20 30 CDEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000339759518 391349950 /nfs/dbraw/zinc/34/99/50/391349950.db2.gz FABRPPYBIGMLFN-GFCCVEGCSA-N 1 2 262.357 1.319 20 30 CDEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000339759518 391349952 /nfs/dbraw/zinc/34/99/52/391349952.db2.gz FABRPPYBIGMLFN-GFCCVEGCSA-N 1 2 262.357 1.319 20 30 CDEDLO CC#CC[N@@H+](C)[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000339763109 391352763 /nfs/dbraw/zinc/35/27/63/391352763.db2.gz LZEQNQKFWJMZTF-CYBMUJFWSA-N 1 2 277.368 1.857 20 30 CDEDLO CC#CC[N@H+](C)[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000339763109 391352765 /nfs/dbraw/zinc/35/27/65/391352765.db2.gz LZEQNQKFWJMZTF-CYBMUJFWSA-N 1 2 277.368 1.857 20 30 CDEDLO O=C(CSCC[NH+]1CCOCC1)NC1CCOCC1 ZINC000328926010 391394752 /nfs/dbraw/zinc/39/47/52/391394752.db2.gz WFGVAPFXHSYRDW-UHFFFAOYSA-N 1 2 288.413 1.187 20 30 CDEDLO C=CC[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000353799568 391401772 /nfs/dbraw/zinc/40/17/72/391401772.db2.gz PQXQALXYDHWZMH-GXTWGEPZSA-N 1 2 266.385 1.711 20 30 CDEDLO C=CC[C@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000353799568 391401775 /nfs/dbraw/zinc/40/17/75/391401775.db2.gz PQXQALXYDHWZMH-GXTWGEPZSA-N 1 2 266.385 1.711 20 30 CDEDLO Cc1ccc(C)c(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)c1 ZINC000330444132 391433891 /nfs/dbraw/zinc/43/38/91/391433891.db2.gz GBVQIFBCQGDLAW-CQSZACIVSA-N 1 2 292.379 1.301 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC#Cc1ccccc1 ZINC000583880970 391482320 /nfs/dbraw/zinc/48/23/20/391482320.db2.gz NVEFLVNJCSQZLO-CYBMUJFWSA-N 1 2 267.332 1.756 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC#Cc1ccccc1 ZINC000583880970 391482322 /nfs/dbraw/zinc/48/23/22/391482322.db2.gz NVEFLVNJCSQZLO-CYBMUJFWSA-N 1 2 267.332 1.756 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](CCC)[C@@H](C)C(=O)OCC)C1=O ZINC000411646805 391501520 /nfs/dbraw/zinc/50/15/20/391501520.db2.gz LBDGUUSHEFBRCN-STQMWFEESA-N 1 2 282.384 1.437 20 30 CDEDLO CC1(C)C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H](CO)O1 ZINC000404144421 391547761 /nfs/dbraw/zinc/54/77/61/391547761.db2.gz IQOXRMDQGHDJND-CYBMUJFWSA-N 1 2 278.327 1.669 20 30 CDEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H](CO)O1 ZINC000404144421 391547765 /nfs/dbraw/zinc/54/77/65/391547765.db2.gz IQOXRMDQGHDJND-CYBMUJFWSA-N 1 2 278.327 1.669 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](CCC)[C@@H](C)C(=O)OCC)C1=O ZINC000411646805 391501516 /nfs/dbraw/zinc/50/15/16/391501516.db2.gz LBDGUUSHEFBRCN-STQMWFEESA-N 1 2 282.384 1.437 20 30 CDEDLO CC(C)[C@@H](C(=O)NCC(C)(C)C#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000359644186 391607190 /nfs/dbraw/zinc/60/71/90/391607190.db2.gz DYDRMWXPEXAISS-MJBXVCDLSA-N 1 2 295.427 1.786 20 30 CDEDLO CC(C)[C@@H](C(=O)NCC(C)(C)C#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000359644186 391607193 /nfs/dbraw/zinc/60/71/93/391607193.db2.gz DYDRMWXPEXAISS-MJBXVCDLSA-N 1 2 295.427 1.786 20 30 CDEDLO O=C(CCn1c2ccccc2[nH+]c1C1CC1)NCC#CCO ZINC000412325844 391613956 /nfs/dbraw/zinc/61/39/56/391613956.db2.gz YQMJKSFSCVFPRC-UHFFFAOYSA-N 1 2 297.358 1.416 20 30 CDEDLO CC[C@H](CC#N)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000192242250 391715717 /nfs/dbraw/zinc/71/57/17/391715717.db2.gz TUPVWKUORIIYQN-OCCSQVGLSA-N 1 2 279.384 1.438 20 30 CDEDLO CC[C@H](CC#N)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000192242250 391715719 /nfs/dbraw/zinc/71/57/19/391715719.db2.gz TUPVWKUORIIYQN-OCCSQVGLSA-N 1 2 279.384 1.438 20 30 CDEDLO C#CCn1ccc(CN(CC)CC[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000281892194 391665424 /nfs/dbraw/zinc/66/54/24/391665424.db2.gz BANSDDGQGQZDGS-HNNXBMFYSA-N 1 2 290.411 1.059 20 30 CDEDLO C#CCn1ccc(CN(CC)CC[N@H+]2CCO[C@@H](C)C2)n1 ZINC000281892194 391665426 /nfs/dbraw/zinc/66/54/26/391665426.db2.gz BANSDDGQGQZDGS-HNNXBMFYSA-N 1 2 290.411 1.059 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)CCN2CCO[C@@H](C)C2)n1 ZINC000281892194 391665429 /nfs/dbraw/zinc/66/54/29/391665429.db2.gz BANSDDGQGQZDGS-HNNXBMFYSA-N 1 2 290.411 1.059 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)CCN2CCO[C@@H](C)C2)n1 ZINC000281892194 391665433 /nfs/dbraw/zinc/66/54/33/391665433.db2.gz BANSDDGQGQZDGS-HNNXBMFYSA-N 1 2 290.411 1.059 20 30 CDEDLO C[C@@H]1C[C@H](NC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000330201304 391813834 /nfs/dbraw/zinc/81/38/34/391813834.db2.gz XOQCWGPCJXXEJK-GRYCIOLGSA-N 1 2 278.356 1.269 20 30 CDEDLO C[C@@H]1C[C@H]([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000330201304 391813837 /nfs/dbraw/zinc/81/38/37/391813837.db2.gz XOQCWGPCJXXEJK-GRYCIOLGSA-N 1 2 278.356 1.269 20 30 CDEDLO C=CCSCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000372757562 391863777 /nfs/dbraw/zinc/86/37/77/391863777.db2.gz MLEGQHYWWAMSRS-CQSZACIVSA-N 1 2 298.452 1.665 20 30 CDEDLO C=CCSCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000372757562 391863779 /nfs/dbraw/zinc/86/37/79/391863779.db2.gz MLEGQHYWWAMSRS-CQSZACIVSA-N 1 2 298.452 1.665 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000372357552 391850457 /nfs/dbraw/zinc/85/04/57/391850457.db2.gz PSUSRIWRSFWCAK-LLVKDONJSA-N 1 2 256.346 1.398 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000372357552 391850459 /nfs/dbraw/zinc/85/04/59/391850459.db2.gz PSUSRIWRSFWCAK-LLVKDONJSA-N 1 2 256.346 1.398 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)cc1F ZINC000192024127 392011835 /nfs/dbraw/zinc/01/18/35/392011835.db2.gz MYUFOLDOIWVBSP-OAHLLOKOSA-N 1 2 287.338 1.940 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)cc1F ZINC000192024127 392011838 /nfs/dbraw/zinc/01/18/38/392011838.db2.gz MYUFOLDOIWVBSP-OAHLLOKOSA-N 1 2 287.338 1.940 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000246629028 392017738 /nfs/dbraw/zinc/01/77/38/392017738.db2.gz OCXNIAXHOHYGBC-HUUCEWRRSA-N 1 2 269.348 1.801 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000246629028 392017743 /nfs/dbraw/zinc/01/77/43/392017743.db2.gz OCXNIAXHOHYGBC-HUUCEWRRSA-N 1 2 269.348 1.801 20 30 CDEDLO N#CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CCCC1 ZINC000334202480 392030991 /nfs/dbraw/zinc/03/09/91/392030991.db2.gz SBNWNSYGZYRDFQ-GFCCVEGCSA-N 1 2 272.352 1.740 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(OC)c(OC)c1 ZINC000267233104 392095352 /nfs/dbraw/zinc/09/53/52/392095352.db2.gz CUUVJOJWFFQHAA-UHFFFAOYSA-N 1 2 276.336 1.597 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(OC)c(OC)c1 ZINC000267233104 392095361 /nfs/dbraw/zinc/09/53/61/392095361.db2.gz CUUVJOJWFFQHAA-UHFFFAOYSA-N 1 2 276.336 1.597 20 30 CDEDLO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccn(C)n1 ZINC000459785809 392507662 /nfs/dbraw/zinc/50/76/62/392507662.db2.gz KJPDGUZUBYYFLP-NSHDSACASA-N 1 2 283.335 1.581 20 30 CDEDLO Cc1cc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)ccc1C#N ZINC000488231724 392895741 /nfs/dbraw/zinc/89/57/41/392895741.db2.gz NXZYWXAPHMECMA-WFASDCNBSA-N 1 2 260.337 1.448 20 30 CDEDLO Cc1cc(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)ccc1C#N ZINC000488231724 392895749 /nfs/dbraw/zinc/89/57/49/392895749.db2.gz NXZYWXAPHMECMA-WFASDCNBSA-N 1 2 260.337 1.448 20 30 CDEDLO C[C@@H]1OCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)[C@H]1C ZINC000269064923 132106292 /nfs/dbraw/zinc/10/62/92/132106292.db2.gz VKCKDWLTGWUXGS-STQMWFEESA-N 1 2 287.363 1.284 20 30 CDEDLO C[C@@H]1OCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)[C@H]1C ZINC000269064923 132106294 /nfs/dbraw/zinc/10/62/94/132106294.db2.gz VKCKDWLTGWUXGS-STQMWFEESA-N 1 2 287.363 1.284 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3cc(C)ncc3C#N)CC2)on1 ZINC000425203384 392991915 /nfs/dbraw/zinc/99/19/15/392991915.db2.gz FIBDCWBBEMXHLP-UHFFFAOYSA-N 1 2 297.362 1.880 20 30 CDEDLO Cc1noc(CCCNc2cc(C)[nH+]cc2C#N)n1 ZINC000425226181 392998035 /nfs/dbraw/zinc/99/80/35/392998035.db2.gz NADGJVKAGFKQGW-UHFFFAOYSA-N 1 2 257.297 1.420 20 30 CDEDLO N#Cc1c(F)cccc1N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000091918193 135074544 /nfs/dbraw/zinc/07/45/44/135074544.db2.gz YYIDSMMJWSQIPJ-UHFFFAOYSA-N 1 2 285.326 1.743 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(OC)cc2)nn1 ZINC000656436374 413242561 /nfs/dbraw/zinc/24/25/61/413242561.db2.gz LOMZJQNZFRPCNG-UHFFFAOYSA-N 1 2 270.336 1.448 20 30 CDEDLO COc1cc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)ccc1C#N ZINC000282367608 286218368 /nfs/dbraw/zinc/21/83/68/286218368.db2.gz QCXWNJCZGPDGNY-GJZGRUSLSA-N 1 2 299.374 1.810 20 30 CDEDLO COc1cc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)ccc1C#N ZINC000282367608 286218370 /nfs/dbraw/zinc/21/83/70/286218370.db2.gz QCXWNJCZGPDGNY-GJZGRUSLSA-N 1 2 299.374 1.810 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CCSC[C@H]2CO)c1 ZINC000335806353 151035614 /nfs/dbraw/zinc/03/56/14/151035614.db2.gz HSLXXLILJWJGBO-GFCCVEGCSA-N 1 2 266.341 1.607 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCSC[C@H]2CO)c1 ZINC000335806353 151035615 /nfs/dbraw/zinc/03/56/15/151035615.db2.gz HSLXXLILJWJGBO-GFCCVEGCSA-N 1 2 266.341 1.607 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)c1ccc(C#N)c(Cl)c1 ZINC000336015284 151197664 /nfs/dbraw/zinc/19/76/64/151197664.db2.gz VIUURGLWELWVIB-UHFFFAOYSA-N 1 2 274.711 1.875 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)CC[S@](=O)C1 ZINC000336138921 151303931 /nfs/dbraw/zinc/30/39/31/151303931.db2.gz VLXLUTRKCYCQDC-QGHHPUGFSA-N 1 2 268.407 1.820 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)CC[S@](=O)C1 ZINC000336138921 151303933 /nfs/dbraw/zinc/30/39/33/151303933.db2.gz VLXLUTRKCYCQDC-QGHHPUGFSA-N 1 2 268.407 1.820 20 30 CDEDLO CSCC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343799884 152307406 /nfs/dbraw/zinc/30/74/06/152307406.db2.gz QZXFHKLHSJWVIL-UHFFFAOYSA-N 1 2 299.421 1.022 20 30 CDEDLO CSCC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343799884 152307408 /nfs/dbraw/zinc/30/74/08/152307408.db2.gz QZXFHKLHSJWVIL-UHFFFAOYSA-N 1 2 299.421 1.022 20 30 CDEDLO Cc1cccn2c(CNc3n[nH]cc3C#N)c[nH+]c12 ZINC000362356434 159128874 /nfs/dbraw/zinc/12/88/74/159128874.db2.gz JZIQCYAFAKBLJD-UHFFFAOYSA-N 1 2 252.281 1.272 20 30 CDEDLO CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000363212079 159310159 /nfs/dbraw/zinc/31/01/59/159310159.db2.gz FTPJEEXIESQFGX-HNNXBMFYSA-N 1 2 294.358 1.976 20 30 CDEDLO CCOC(=O)C[N@@H+]1CCCN(c2cccnc2C#N)CC1 ZINC000363804108 159340558 /nfs/dbraw/zinc/34/05/58/159340558.db2.gz WSVUJLJNBLYLNC-UHFFFAOYSA-N 1 2 288.351 1.028 20 30 CDEDLO CCOC(=O)C[N@H+]1CCCN(c2cccnc2C#N)CC1 ZINC000363804108 159340559 /nfs/dbraw/zinc/34/05/59/159340559.db2.gz WSVUJLJNBLYLNC-UHFFFAOYSA-N 1 2 288.351 1.028 20 30 CDEDLO C[C@@H]1CSCCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330147948 297174188 /nfs/dbraw/zinc/17/41/88/297174188.db2.gz UJXVJUAZDUJPHS-NWDGAFQWSA-N 1 2 294.424 1.797 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000020677854 171270016 /nfs/dbraw/zinc/27/00/16/171270016.db2.gz FQQADJWXMVJDJU-CYBMUJFWSA-N 1 2 264.350 1.177 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000020677854 171270017 /nfs/dbraw/zinc/27/00/17/171270017.db2.gz FQQADJWXMVJDJU-CYBMUJFWSA-N 1 2 264.350 1.177 20 30 CDEDLO C=CCCCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661034879 413737328 /nfs/dbraw/zinc/73/73/28/413737328.db2.gz YUABHCNXXHIYCX-AWEZNQCLSA-N 1 2 281.400 1.459 20 30 CDEDLO C=CC[C@H](CC)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661123656 413811887 /nfs/dbraw/zinc/81/18/87/413811887.db2.gz QPZJRLJBRORLOA-UONOGXRCSA-N 1 2 281.400 1.457 20 30 CDEDLO C=CC[N@H+](CC(=O)Nc1ccon1)[C@@H](C)COC ZINC000661249087 413920636 /nfs/dbraw/zinc/92/06/36/413920636.db2.gz ZMGBMINUHSFWCS-JTQLQIEISA-N 1 2 253.302 1.136 20 30 CDEDLO C=CC[N@@H+](CC(=O)Nc1ccon1)[C@@H](C)COC ZINC000661249087 413920641 /nfs/dbraw/zinc/92/06/41/413920641.db2.gz ZMGBMINUHSFWCS-JTQLQIEISA-N 1 2 253.302 1.136 20 30 CDEDLO C=CCCOCC(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000655084971 414018790 /nfs/dbraw/zinc/01/87/90/414018790.db2.gz KMDMDLNIRIRRDB-UHFFFAOYSA-N 1 2 290.354 1.672 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H](C)C(=O)NC(C)(C)C)nn1 ZINC000657335502 414191124 /nfs/dbraw/zinc/19/11/24/414191124.db2.gz KPCAHEDTXGNURC-NSHDSACASA-N 1 2 279.388 1.247 20 30 CDEDLO N#Cc1cc2c(nc1NCC[NH+]1CCOCC1)CCCC2 ZINC000044298195 175161401 /nfs/dbraw/zinc/16/14/01/175161401.db2.gz KMVKZKUOJVEQJN-UHFFFAOYSA-N 1 2 286.379 1.576 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(C#N)CCCCC1 ZINC000044386957 175169954 /nfs/dbraw/zinc/16/99/54/175169954.db2.gz QJLDTUOEQVPTSW-LBPRGKRZSA-N 1 2 260.341 1.862 20 30 CDEDLO N#Cc1cc2ccccc2nc1NCC[NH+]1CCOCC1 ZINC000071385744 176147365 /nfs/dbraw/zinc/14/73/65/176147365.db2.gz QOAKOFOAJJTWTG-UHFFFAOYSA-N 1 2 282.347 1.851 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccccc1 ZINC000078681286 177371067 /nfs/dbraw/zinc/37/10/67/177371067.db2.gz AOBTYSNRLMLXKK-UHFFFAOYSA-N 1 2 273.380 1.734 20 30 CDEDLO N#CCC[N@H+](CCN1CCOCC1)Cc1ccccc1 ZINC000078681286 177371069 /nfs/dbraw/zinc/37/10/69/177371069.db2.gz AOBTYSNRLMLXKK-UHFFFAOYSA-N 1 2 273.380 1.734 20 30 CDEDLO N#CCC[N@@H+](CCN1CCOCC1)Cc1ccccc1 ZINC000078681286 177371070 /nfs/dbraw/zinc/37/10/70/177371070.db2.gz AOBTYSNRLMLXKK-UHFFFAOYSA-N 1 2 273.380 1.734 20 30 CDEDLO C[C@]1(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCCOC1 ZINC000329139187 227321929 /nfs/dbraw/zinc/32/19/29/227321929.db2.gz FCBPBUAXPYDXFU-RISCZKNCSA-N 1 2 263.341 1.971 20 30 CDEDLO CN(C(=O)NC[C@@H]1CCCn2cc[nH+]c21)C1CC(O)C1 ZINC000329517891 227567442 /nfs/dbraw/zinc/56/74/42/227567442.db2.gz NHWKVVMUFCANCW-UNXYVOJBSA-N 1 2 278.356 1.130 20 30 CDEDLO O=C(NC[C@H]1CCCC1=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000330046864 228026522 /nfs/dbraw/zinc/02/65/22/228026522.db2.gz FAMJQDFEUCHFDF-GHMZBOCLSA-N 1 2 261.325 1.771 20 30 CDEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@H]1CCCC[C@@H]1O ZINC000330275601 228088677 /nfs/dbraw/zinc/08/86/77/228088677.db2.gz LSJHEIJVLDDRSJ-AVGNSLFASA-N 1 2 292.383 1.568 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@@H](C)CO1 ZINC000407965831 260127374 /nfs/dbraw/zinc/12/73/74/260127374.db2.gz LFFQHUGNCSBIFX-KBPBESRZSA-N 1 2 293.411 1.780 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)[C@@H](C)CO1 ZINC000407965831 260127376 /nfs/dbraw/zinc/12/73/76/260127376.db2.gz LFFQHUGNCSBIFX-KBPBESRZSA-N 1 2 293.411 1.780 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cscn1 ZINC000156016852 261111728 /nfs/dbraw/zinc/11/17/28/261111728.db2.gz AWMVBJQDMJJABU-UHFFFAOYSA-N 1 2 280.397 1.191 20 30 CDEDLO CCOc1cccc(/C=[NH+]/CC(C)(C)C(=O)NC)c1O ZINC000157188423 261142144 /nfs/dbraw/zinc/14/21/44/261142144.db2.gz MZHAJDSQRFZZRZ-RQZCQDPDSA-N 1 2 278.352 1.982 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)C(C)(Cl)Cl ZINC000490913194 261245491 /nfs/dbraw/zinc/24/54/91/261245491.db2.gz CIUAEAOIAFLADP-VIFPVBQESA-N 1 2 264.152 1.821 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)C(C)(Cl)Cl ZINC000490913194 261245493 /nfs/dbraw/zinc/24/54/93/261245493.db2.gz CIUAEAOIAFLADP-VIFPVBQESA-N 1 2 264.152 1.821 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+]C(C)(C)c1nccs1 ZINC000173417122 261533260 /nfs/dbraw/zinc/53/32/60/261533260.db2.gz UWQYUAUEOFSETE-LLVKDONJSA-N 1 2 294.424 1.976 20 30 CDEDLO C=CCn1c(C)nnc1SCC[N@H+]1CCOC[C@H]1C ZINC000188229138 262285259 /nfs/dbraw/zinc/28/52/59/262285259.db2.gz ZOBZOGBWKNRPPJ-LLVKDONJSA-N 1 2 282.413 1.585 20 30 CDEDLO C=CCn1c(C)nnc1SCC[N@@H+]1CCOC[C@H]1C ZINC000188229138 262285260 /nfs/dbraw/zinc/28/52/60/262285260.db2.gz ZOBZOGBWKNRPPJ-LLVKDONJSA-N 1 2 282.413 1.585 20 30 CDEDLO C=CC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161560754 262317581 /nfs/dbraw/zinc/31/75/81/262317581.db2.gz NCXFXZWSGIAHSG-ZDUSSCGKSA-N 1 2 259.353 1.870 20 30 CDEDLO C=CCn1cccc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000488461552 262326235 /nfs/dbraw/zinc/32/62/35/262326235.db2.gz GKVPFMCEIDXPKP-GFCCVEGCSA-N 1 2 258.325 1.689 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425859426 263040118 /nfs/dbraw/zinc/04/01/18/263040118.db2.gz JCJPVXZMDSECRK-HZSPNIEDSA-N 1 2 294.399 1.041 20 30 CDEDLO N#CCc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000340153171 263079184 /nfs/dbraw/zinc/07/91/84/263079184.db2.gz PKUUOBHPFHMPIJ-UHFFFAOYSA-N 1 2 254.293 1.448 20 30 CDEDLO CO[C@H](CO[NH+]=C(N)C(C)(C)NC(C)=O)c1ccccc1 ZINC000283526550 263083165 /nfs/dbraw/zinc/08/31/65/263083165.db2.gz WWSGIJUWCOCJQB-CYBMUJFWSA-N 1 2 293.367 1.578 20 30 CDEDLO CCc1ccccc1NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000283988743 263085307 /nfs/dbraw/zinc/08/53/07/263085307.db2.gz GWRXJFVJCAKGPA-ZDUSSCGKSA-N 1 2 291.351 1.655 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000285639675 263094753 /nfs/dbraw/zinc/09/47/53/263094753.db2.gz XUOAUXDOQMKHPE-MRXNPFEDSA-N 1 2 286.379 1.666 20 30 CDEDLO CO/N=C/C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000289116186 263107610 /nfs/dbraw/zinc/10/76/10/263107610.db2.gz DCSGUTNNPVSCEC-JASJWYONSA-N 1 2 291.351 1.651 20 30 CDEDLO N#C[C@@]1(C(=O)NCCCn2cc[nH+]c2)CC12CCCC2 ZINC000294230163 263158321 /nfs/dbraw/zinc/15/83/21/263158321.db2.gz MBLOSUAIGFLYRN-OAHLLOKOSA-N 1 2 272.352 1.863 20 30 CDEDLO N#CCC[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000298864648 263226993 /nfs/dbraw/zinc/22/69/93/263226993.db2.gz JGTJMYNHTSOVKN-NSHDSACASA-N 1 2 269.142 1.986 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)/N=C/c1cccc(O)c1O ZINC000298682591 263224132 /nfs/dbraw/zinc/22/41/32/263224132.db2.gz WQCNDIPSCBCODJ-BTAWCLGRSA-N 1 2 264.325 1.237 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000121326228 263292808 /nfs/dbraw/zinc/29/28/08/263292808.db2.gz VAYWTXPAWQRNMC-UHFFFAOYSA-N 1 2 264.325 1.760 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000121326228 263292809 /nfs/dbraw/zinc/29/28/09/263292809.db2.gz VAYWTXPAWQRNMC-UHFFFAOYSA-N 1 2 264.325 1.760 20 30 CDEDLO CC[C@H](C)NC(=O)C[NH+]1CCC(C#N)(COC)CC1 ZINC000341990471 263382390 /nfs/dbraw/zinc/38/23/90/263382390.db2.gz MZOMCWRFIDVTCX-LBPRGKRZSA-N 1 2 267.373 1.153 20 30 CDEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(C)c(C)c2)CC1 ZINC000125764111 264070026 /nfs/dbraw/zinc/07/00/26/264070026.db2.gz SXFDRLUJTLPSSR-UHFFFAOYSA-N 1 2 287.407 1.728 20 30 CDEDLO C[C@H]1COC(C)(C)C[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000331136121 264135080 /nfs/dbraw/zinc/13/50/80/264135080.db2.gz KOUVJTWDMCBXRF-ZDUSSCGKSA-N 1 2 292.383 1.142 20 30 CDEDLO C[C@H]1COC(C)(C)C[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000331136121 264135083 /nfs/dbraw/zinc/13/50/83/264135083.db2.gz KOUVJTWDMCBXRF-ZDUSSCGKSA-N 1 2 292.383 1.142 20 30 CDEDLO CCNC(=O)[C@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331339474 264194293 /nfs/dbraw/zinc/19/42/93/264194293.db2.gz RUNPCRIZOYNALS-NSHDSACASA-N 1 2 278.356 1.857 20 30 CDEDLO Cc1cccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1C ZINC000519161776 265347432 /nfs/dbraw/zinc/34/74/32/265347432.db2.gz NGRLMATTWUKXDO-HNNXBMFYSA-N 1 2 259.353 1.877 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@H](CO)c2ccccc2)nn1 ZINC000653599654 424318934 /nfs/dbraw/zinc/31/89/34/424318934.db2.gz YAEAIPOCGXBQON-OAHLLOKOSA-N 1 2 272.352 1.677 20 30 CDEDLO C=C[C@@H](CO)Nc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000357609408 266334902 /nfs/dbraw/zinc/33/49/02/266334902.db2.gz VPETZIUJLCISIQ-LBPRGKRZSA-N 1 2 256.309 1.228 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000362582810 267010133 /nfs/dbraw/zinc/01/01/33/267010133.db2.gz CGVZKPZPTNWEKG-CYBMUJFWSA-N 1 2 297.443 1.646 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000362582810 267010137 /nfs/dbraw/zinc/01/01/37/267010137.db2.gz CGVZKPZPTNWEKG-CYBMUJFWSA-N 1 2 297.443 1.646 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCO[C@@H]3CCC[C@H]32)CCCCC1 ZINC000363049572 267073747 /nfs/dbraw/zinc/07/37/47/267073747.db2.gz NGUHCIASBPBNBU-ZIAGYGMSSA-N 1 2 291.395 1.582 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCO[C@@H]3CCC[C@H]32)CCCCC1 ZINC000363049572 267073750 /nfs/dbraw/zinc/07/37/50/267073750.db2.gz NGUHCIASBPBNBU-ZIAGYGMSSA-N 1 2 291.395 1.582 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@H](C(N)=O)C1 ZINC000187442523 267216841 /nfs/dbraw/zinc/21/68/41/267216841.db2.gz KIODBBGCAGMSMJ-HZMBPMFUSA-N 1 2 275.327 1.783 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@H](C(N)=O)C1 ZINC000187442523 267216846 /nfs/dbraw/zinc/21/68/46/267216846.db2.gz KIODBBGCAGMSMJ-HZMBPMFUSA-N 1 2 275.327 1.783 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N(C1CC1)C1CCCC1 ZINC000174526241 277682846 /nfs/dbraw/zinc/68/28/46/277682846.db2.gz WZOFFKFAUVYILW-UHFFFAOYSA-N 1 2 258.365 1.488 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000281105436 277845666 /nfs/dbraw/zinc/84/56/66/277845666.db2.gz WIGZZTYFKQOMFF-CYBMUJFWSA-N 1 2 262.357 1.223 20 30 CDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)[C@H](C)C1 ZINC000352595619 279365589 /nfs/dbraw/zinc/36/55/89/279365589.db2.gz BAFBQXXDLDXVGI-SNVBAGLBSA-N 1 2 299.421 1.334 20 30 CDEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)[C@H](C)C1 ZINC000352595619 279365591 /nfs/dbraw/zinc/36/55/91/279365591.db2.gz BAFBQXXDLDXVGI-SNVBAGLBSA-N 1 2 299.421 1.334 20 30 CDEDLO O=CN1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000294146360 280333025 /nfs/dbraw/zinc/33/30/25/280333025.db2.gz GZXITLBEMFSAQD-UHFFFAOYSA-N 1 2 260.312 1.341 20 30 CDEDLO O=CN1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000294146360 280333026 /nfs/dbraw/zinc/33/30/26/280333026.db2.gz GZXITLBEMFSAQD-UHFFFAOYSA-N 1 2 260.312 1.341 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)c1sccc1C#N ZINC000052034068 289051095 /nfs/dbraw/zinc/05/10/95/289051095.db2.gz DEPGHBPHHCZWHA-UHFFFAOYSA-N 1 2 260.322 1.625 20 30 CDEDLO Cc1nc(N[C@@H](c2[nH+]ccn2C)C2CC2)ccc1C#N ZINC000562329585 293136398 /nfs/dbraw/zinc/13/63/98/293136398.db2.gz KZAVDVSZEOIPCD-CQSZACIVSA-N 1 2 267.336 1.980 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCOC[C@H]1C1CC1 ZINC000329720608 295384816 /nfs/dbraw/zinc/38/48/16/295384816.db2.gz DQGSTRIDFBYGGO-RISCZKNCSA-N 1 2 290.367 1.292 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCOC[C@H]1C1CC1 ZINC000329720608 295384818 /nfs/dbraw/zinc/38/48/18/295384818.db2.gz DQGSTRIDFBYGGO-RISCZKNCSA-N 1 2 290.367 1.292 20 30 CDEDLO N#Cc1cc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c[nH]1 ZINC000181272487 303179496 /nfs/dbraw/zinc/17/94/96/303179496.db2.gz GFLXBZCOJBIMHK-LBPRGKRZSA-N 1 2 269.308 1.977 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnc(C2CC2)s1 ZINC000574919447 327639301 /nfs/dbraw/zinc/63/93/01/327639301.db2.gz BIPGLSRRQODSCC-CYBMUJFWSA-N 1 2 278.381 1.594 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCCc1c(F)cccc1F ZINC000563368204 328059899 /nfs/dbraw/zinc/05/98/99/328059899.db2.gz TWTNXLMNOHRBBN-LLVKDONJSA-N 1 2 295.333 1.905 20 30 CDEDLO CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1cnn(C)c1 ZINC000161090111 328128768 /nfs/dbraw/zinc/12/87/68/328128768.db2.gz YCXDUYLYCOSAEE-OAHLLOKOSA-N 1 2 291.399 1.296 20 30 CDEDLO CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1cnn(C)c1 ZINC000161090111 328128769 /nfs/dbraw/zinc/12/87/69/328128769.db2.gz YCXDUYLYCOSAEE-OAHLLOKOSA-N 1 2 291.399 1.296 20 30 CDEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000571652712 328213618 /nfs/dbraw/zinc/21/36/18/328213618.db2.gz CHOZLUPXBRQLGP-PWSUYJOCSA-N 1 2 277.372 1.646 20 30 CDEDLO Cc1nn(C(C)C)cc1C[NH+]1CCN(CC#N)CC1 ZINC000281618384 328240788 /nfs/dbraw/zinc/24/07/88/328240788.db2.gz NLTKCPAYJYERHQ-UHFFFAOYSA-N 1 2 261.373 1.414 20 30 CDEDLO NC(=[NH+]OCCc1ccc2c(c1)CCO2)[C@@H]1CCCO1 ZINC000284453216 328245895 /nfs/dbraw/zinc/24/58/95/328245895.db2.gz QEQJRPDQUFSIDA-AWEZNQCLSA-N 1 2 276.336 1.632 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCc2occc2C1)C1CC1 ZINC000288764078 328253688 /nfs/dbraw/zinc/25/36/88/328253688.db2.gz JCJAJTOEZSXKQC-MRXNPFEDSA-N 1 2 287.363 1.836 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCc2occc2C1)C1CC1 ZINC000288764078 328253689 /nfs/dbraw/zinc/25/36/89/328253689.db2.gz JCJAJTOEZSXKQC-MRXNPFEDSA-N 1 2 287.363 1.836 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)Cc1cccc(C#N)c1 ZINC000578868832 324043076 /nfs/dbraw/zinc/04/30/76/324043076.db2.gz JOVJWIAHHFQHAY-UHFFFAOYSA-N 1 2 281.315 1.821 20 30 CDEDLO CCc1ccc(O)c(C(=O)NC[C@H](C)[NH+]2CCOCC2)c1 ZINC000330608625 328463596 /nfs/dbraw/zinc/46/35/96/328463596.db2.gz LEXKVEBBPFSAQT-LBPRGKRZSA-N 1 2 292.379 1.980 20 30 CDEDLO CCn1cnc2c(c1=O)CC[N@H+](Cc1ccc(C#N)cn1)C2 ZINC000583701020 325225471 /nfs/dbraw/zinc/22/54/71/325225471.db2.gz ABIVDEUDTOSMKK-UHFFFAOYSA-N 1 2 295.346 1.088 20 30 CDEDLO CCn1cnc2c(c1=O)CC[N@@H+](Cc1ccc(C#N)cn1)C2 ZINC000583701020 325225475 /nfs/dbraw/zinc/22/54/75/325225475.db2.gz ABIVDEUDTOSMKK-UHFFFAOYSA-N 1 2 295.346 1.088 20 30 CDEDLO N#CC1(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000559343775 327162617 /nfs/dbraw/zinc/16/26/17/327162617.db2.gz PMYNLBDGAKFMDM-UHFFFAOYSA-N 1 2 273.340 1.533 20 30 CDEDLO C#CC[N@@H+](CCCS(C)(=O)=O)Cc1ccc(F)cc1 ZINC000103141691 327209935 /nfs/dbraw/zinc/20/99/35/327209935.db2.gz JQPNWURTPTVTCL-UHFFFAOYSA-N 1 2 283.368 1.696 20 30 CDEDLO C#CC[N@H+](CCCS(C)(=O)=O)Cc1ccc(F)cc1 ZINC000103141691 327209937 /nfs/dbraw/zinc/20/99/37/327209937.db2.gz JQPNWURTPTVTCL-UHFFFAOYSA-N 1 2 283.368 1.696 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COCc1cccs1 ZINC000098072132 327211962 /nfs/dbraw/zinc/21/19/62/327211962.db2.gz YNIGQMFPFHBRPR-NSHDSACASA-N 1 2 254.355 1.471 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COCc1cccs1 ZINC000098072132 327211964 /nfs/dbraw/zinc/21/19/64/327211964.db2.gz YNIGQMFPFHBRPR-NSHDSACASA-N 1 2 254.355 1.471 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000562341319 327472933 /nfs/dbraw/zinc/47/29/33/327472933.db2.gz FXAXUACBKALDBA-CHWSQXEVSA-N 1 2 274.368 1.948 20 30 CDEDLO CC[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000151903419 327522357 /nfs/dbraw/zinc/52/23/57/327522357.db2.gz NQDAXIXJOLHPKE-ZYHUDNBSSA-N 1 2 255.387 1.232 20 30 CDEDLO CC[C@H](C#N)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000172115073 329081523 /nfs/dbraw/zinc/08/15/23/329081523.db2.gz AUPQVAWJWHIAPX-GFCCVEGCSA-N 1 2 254.293 1.904 20 30 CDEDLO C=C(C)COCCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178003977 329191185 /nfs/dbraw/zinc/19/11/85/329191185.db2.gz WBTCDLGFXKVBNK-UHFFFAOYSA-N 1 2 288.351 1.726 20 30 CDEDLO C=CCC1(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CCC1 ZINC000188731884 329370873 /nfs/dbraw/zinc/37/08/73/329370873.db2.gz GULATNWKQKNXBS-ZDUSSCGKSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CCNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000124182713 329567447 /nfs/dbraw/zinc/56/74/47/329567447.db2.gz AUAOKQHPMPTXRA-UHFFFAOYSA-N 1 2 260.341 1.095 20 30 CDEDLO CC1(C#N)CN(CCCCC[NH+]2CC(C)(C#N)C2)C1 ZINC000571891924 329928459 /nfs/dbraw/zinc/92/84/59/329928459.db2.gz MKGOGPKCIIXNQB-UHFFFAOYSA-N 1 2 260.385 1.848 20 30 CDEDLO C[C@@H](Cc1ccccc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000572246424 329957992 /nfs/dbraw/zinc/95/79/92/329957992.db2.gz BCGFJFNXRNSQMU-BBRMVZONSA-N 1 2 273.380 1.825 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccc([S@](C)=O)cc2)nn1 ZINC000424175818 330316130 /nfs/dbraw/zinc/31/61/30/330316130.db2.gz VMDRTVLNSCGIFE-FQEVSTJZSA-N 1 2 290.392 1.491 20 30 CDEDLO C#CCNc1[nH+]cnc2c1c(Br)nn2C ZINC000159503445 330848591 /nfs/dbraw/zinc/84/85/91/330848591.db2.gz GFAUYLZXJJIGCB-UHFFFAOYSA-N 1 2 266.102 1.171 20 30 CDEDLO C=C(C)CCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000455322948 331166013 /nfs/dbraw/zinc/16/60/13/331166013.db2.gz KEIYHVKSJIQBFE-KGLIPLIRSA-N 1 2 281.400 1.457 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000456764597 331201325 /nfs/dbraw/zinc/20/13/25/331201325.db2.gz INNGBYCQOIMTGN-HIFRSBDPSA-N 1 2 296.411 1.073 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000456764597 331201326 /nfs/dbraw/zinc/20/13/26/331201326.db2.gz INNGBYCQOIMTGN-HIFRSBDPSA-N 1 2 296.411 1.073 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)NCC(C)(C)CC#N ZINC000458810315 331260799 /nfs/dbraw/zinc/26/07/99/331260799.db2.gz LHNLADAKQJKGAC-UHFFFAOYSA-N 1 2 276.340 1.829 20 30 CDEDLO C=CC[NH+]1CCN(c2ccc(C(=O)OC)s2)CC1 ZINC000459511586 331285502 /nfs/dbraw/zinc/28/55/02/331285502.db2.gz MHTFUVFADPVPER-UHFFFAOYSA-N 1 2 266.366 1.843 20 30 CDEDLO C#CC[N@@H+](Cc1ccccc1CC)[C@H]1CCS(=O)(=O)C1 ZINC000490711588 332106655 /nfs/dbraw/zinc/10/66/55/332106655.db2.gz AJIOQWWGKPIYCL-INIZCTEOSA-N 1 2 291.416 1.871 20 30 CDEDLO C#CC[N@H+](Cc1ccccc1CC)[C@H]1CCS(=O)(=O)C1 ZINC000490711588 332106657 /nfs/dbraw/zinc/10/66/57/332106657.db2.gz AJIOQWWGKPIYCL-INIZCTEOSA-N 1 2 291.416 1.871 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000491092431 332148048 /nfs/dbraw/zinc/14/80/48/332148048.db2.gz BTWVLJZVSZNNOM-GFCCVEGCSA-N 1 2 283.335 1.812 20 30 CDEDLO C#C[C@H](CCC)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000491220555 332168786 /nfs/dbraw/zinc/16/87/86/332168786.db2.gz OMTCEKHRTNRWLN-KFWWJZLASA-N 1 2 293.411 1.293 20 30 CDEDLO C#CC[N@@H+](CCCCCC=C)[C@H]1CCS(=O)(=O)C1 ZINC000491240579 332172038 /nfs/dbraw/zinc/17/20/38/332172038.db2.gz ATQXWAAGUSMDHO-AWEZNQCLSA-N 1 2 269.410 1.855 20 30 CDEDLO C#CC[N@H+](CCCCCC=C)[C@H]1CCS(=O)(=O)C1 ZINC000491240579 332172040 /nfs/dbraw/zinc/17/20/40/332172040.db2.gz ATQXWAAGUSMDHO-AWEZNQCLSA-N 1 2 269.410 1.855 20 30 CDEDLO C#CC[NH+]1CCN(Cn2ccc(-c3ccc(F)cn3)n2)CC1 ZINC000491294128 332183042 /nfs/dbraw/zinc/18/30/42/332183042.db2.gz AMOUCPLDMOFPPZ-UHFFFAOYSA-N 1 2 299.353 1.293 20 30 CDEDLO C#C[C@H]1COCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000491297918 332184610 /nfs/dbraw/zinc/18/46/10/332184610.db2.gz SKWMWCJHVZGGJP-AWEZNQCLSA-N 1 2 281.315 1.347 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@](C)(C(C)(C)C)C1=O ZINC000491325385 332189461 /nfs/dbraw/zinc/18/94/61/332189461.db2.gz CBBAFNNHCDNYLG-HZMBPMFUSA-N 1 2 265.357 1.254 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@](C)(C(C)(C)C)C1=O ZINC000491325385 332189463 /nfs/dbraw/zinc/18/94/63/332189463.db2.gz CBBAFNNHCDNYLG-HZMBPMFUSA-N 1 2 265.357 1.254 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000491360583 332196535 /nfs/dbraw/zinc/19/65/35/332196535.db2.gz GPNNFZKUFAYRFK-TZMCWYRMSA-N 1 2 285.347 1.061 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000491360583 332196536 /nfs/dbraw/zinc/19/65/36/332196536.db2.gz GPNNFZKUFAYRFK-TZMCWYRMSA-N 1 2 285.347 1.061 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C[C@](C)(CC(C)C)C1=O ZINC000491363020 332197604 /nfs/dbraw/zinc/19/76/04/332197604.db2.gz WWYSKZWTUPIBAZ-DOMZBBRYSA-N 1 2 264.369 1.709 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C[C@](C)(CC(C)C)C1=O ZINC000491363020 332197606 /nfs/dbraw/zinc/19/76/06/332197606.db2.gz WWYSKZWTUPIBAZ-DOMZBBRYSA-N 1 2 264.369 1.709 20 30 CDEDLO C#C[C@@H]1COCCN1C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000491627545 332250999 /nfs/dbraw/zinc/25/09/99/332250999.db2.gz KZRDJBRWGLJFMK-CQSZACIVSA-N 1 2 298.346 1.186 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1Cc2ccc(OC)cc2C1=O ZINC000491659889 332270452 /nfs/dbraw/zinc/27/04/52/332270452.db2.gz LQCPCSVWERSWIF-NSHDSACASA-N 1 2 258.321 1.562 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1Cc2ccc(OC)cc2C1=O ZINC000491659889 332270453 /nfs/dbraw/zinc/27/04/53/332270453.db2.gz LQCPCSVWERSWIF-NSHDSACASA-N 1 2 258.321 1.562 20 30 CDEDLO C#CC[N@@H+](CC)Cc1cccc(S(C)(=O)=O)c1 ZINC000491664025 332272937 /nfs/dbraw/zinc/27/29/37/332272937.db2.gz DXKYMKYOCWJFOM-UHFFFAOYSA-N 1 2 251.351 1.545 20 30 CDEDLO C#CC[N@H+](CC)Cc1cccc(S(C)(=O)=O)c1 ZINC000491664025 332272938 /nfs/dbraw/zinc/27/29/38/332272938.db2.gz DXKYMKYOCWJFOM-UHFFFAOYSA-N 1 2 251.351 1.545 20 30 CDEDLO C#C[C@@H]1COCCN1C(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000491727822 332310880 /nfs/dbraw/zinc/31/08/80/332310880.db2.gz LUNPGIBGAHULLS-CQSZACIVSA-N 1 2 297.358 1.595 20 30 CDEDLO C#C[C@@H]1COCCN1Cc1c[nH+]cn1Cc1ccccc1 ZINC000491729777 332312005 /nfs/dbraw/zinc/31/20/05/332312005.db2.gz NVSJCYFGZUJUMC-MRXNPFEDSA-N 1 2 281.359 1.765 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cnc(COC)s1 ZINC000491731587 332312955 /nfs/dbraw/zinc/31/29/55/332312955.db2.gz KODNKNLAQCFXGF-LLVKDONJSA-N 1 2 294.376 1.544 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cnc(COC)s1 ZINC000491731587 332312957 /nfs/dbraw/zinc/31/29/57/332312957.db2.gz KODNKNLAQCFXGF-LLVKDONJSA-N 1 2 294.376 1.544 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000491769408 332336519 /nfs/dbraw/zinc/33/65/19/332336519.db2.gz LMGDOJGCWYRMCV-LBPRGKRZSA-N 1 2 277.368 1.542 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000491769408 332336520 /nfs/dbraw/zinc/33/65/20/332336520.db2.gz LMGDOJGCWYRMCV-LBPRGKRZSA-N 1 2 277.368 1.542 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000491771717 332338149 /nfs/dbraw/zinc/33/81/49/332338149.db2.gz SGNJVPJJKYSNNU-UHFFFAOYSA-N 1 2 261.281 1.407 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000491771717 332338150 /nfs/dbraw/zinc/33/81/50/332338150.db2.gz SGNJVPJJKYSNNU-UHFFFAOYSA-N 1 2 261.281 1.407 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)NCCC)n1 ZINC000491771867 332338445 /nfs/dbraw/zinc/33/84/45/332338445.db2.gz PEUUPDIOCMBLRC-CYBMUJFWSA-N 1 2 276.384 1.253 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)NCCC)n1 ZINC000491771867 332338447 /nfs/dbraw/zinc/33/84/47/332338447.db2.gz PEUUPDIOCMBLRC-CYBMUJFWSA-N 1 2 276.384 1.253 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000491782626 332346436 /nfs/dbraw/zinc/34/64/36/332346436.db2.gz NYWWPYWQNRRBGV-UHFFFAOYSA-N 1 2 262.357 1.221 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000491782626 332346438 /nfs/dbraw/zinc/34/64/38/332346438.db2.gz NYWWPYWQNRRBGV-UHFFFAOYSA-N 1 2 262.357 1.221 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C/C1CCC1 ZINC000492047021 332380332 /nfs/dbraw/zinc/38/03/32/332380332.db2.gz LARLEJFAGMAION-AATRIKPKSA-N 1 2 291.395 1.417 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178790054 333077812 /nfs/dbraw/zinc/07/78/12/333077812.db2.gz OSBNIYOVYWPQFD-YUNKPMOVSA-N 1 2 294.420 1.547 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178790054 333077813 /nfs/dbraw/zinc/07/78/13/333077813.db2.gz OSBNIYOVYWPQFD-YUNKPMOVSA-N 1 2 294.420 1.547 20 30 CDEDLO COc1cc(C[NH2+]C[C@H](C)C#N)c([N+](=O)[O-])cc1OC ZINC000183828385 333122987 /nfs/dbraw/zinc/12/29/87/333122987.db2.gz LVFJZLNCMYFQHN-SECBINFHSA-N 1 2 279.296 1.861 20 30 CDEDLO C=CCN(CC=C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000193588033 333253851 /nfs/dbraw/zinc/25/38/51/333253851.db2.gz KXLOHXUHRVLURL-ZDUSSCGKSA-N 1 2 267.373 1.091 20 30 CDEDLO CC[C@@]1(C)C[C@@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000134223350 334084808 /nfs/dbraw/zinc/08/48/08/334084808.db2.gz VTUIBIRMJIRWCF-ZBFHGGJFSA-N 1 2 293.411 1.497 20 30 CDEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H](CO)O1 ZINC000249382615 334332952 /nfs/dbraw/zinc/33/29/52/334332952.db2.gz QRFGENAVAAENMG-DOMZBBRYSA-N 1 2 279.767 1.773 20 30 CDEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H](CO)O1 ZINC000249382615 334332953 /nfs/dbraw/zinc/33/29/53/334332953.db2.gz QRFGENAVAAENMG-DOMZBBRYSA-N 1 2 279.767 1.773 20 30 CDEDLO COCc1noc(C[NH+]2CCC(CCC#N)CC2)n1 ZINC000567045967 334676171 /nfs/dbraw/zinc/67/61/71/334676171.db2.gz LZJCHIJVDBIEEZ-UHFFFAOYSA-N 1 2 264.329 1.732 20 30 CDEDLO Cc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1C ZINC000576884272 335260124 /nfs/dbraw/zinc/26/01/24/335260124.db2.gz NWQLFCYTPFFIKJ-OAHLLOKOSA-N 1 2 259.353 1.877 20 30 CDEDLO C[C@@H](C#N)CNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000182607155 335830107 /nfs/dbraw/zinc/83/01/07/335830107.db2.gz XGSNWLVLQVEEGN-LBPRGKRZSA-N 1 2 283.335 1.831 20 30 CDEDLO Cc1ccc2oc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc2n1 ZINC000581946782 336174863 /nfs/dbraw/zinc/17/48/63/336174863.db2.gz CAXGINCAZQDQEA-OAHLLOKOSA-N 1 2 286.335 1.710 20 30 CDEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@@]2(C)CCC[C@H]2C)C1 ZINC001755336246 1159836056 /nfs/dbraw/zinc/83/60/56/1159836056.db2.gz MAUOKLADABEBSH-ZBFHGGJFSA-N 1 2 294.439 1.942 20 30 CDEDLO C#CC[NH2+][C@@H]1CCCCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001088317384 1160365224 /nfs/dbraw/zinc/36/52/24/1160365224.db2.gz ZZTVMFLFEWXDLT-MNOVXSKESA-N 1 2 294.292 1.881 20 30 CDEDLO C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001088317384 1160365237 /nfs/dbraw/zinc/36/52/37/1160365237.db2.gz ZZTVMFLFEWXDLT-MNOVXSKESA-N 1 2 294.292 1.881 20 30 CDEDLO COCC#CC[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000682777596 483349533 /nfs/dbraw/zinc/34/95/33/483349533.db2.gz DMGKGXQCCNVIRN-CQSZACIVSA-N 1 2 276.355 1.986 20 30 CDEDLO COCC#CC[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000682777596 483349534 /nfs/dbraw/zinc/34/95/34/483349534.db2.gz DMGKGXQCCNVIRN-CQSZACIVSA-N 1 2 276.355 1.986 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001108088259 1161494679 /nfs/dbraw/zinc/49/46/79/1161494679.db2.gz VYMGBVJVZCIOCH-DJIMGWMZSA-N 1 2 290.407 1.407 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001108088259 1161494681 /nfs/dbraw/zinc/49/46/81/1161494681.db2.gz VYMGBVJVZCIOCH-DJIMGWMZSA-N 1 2 290.407 1.407 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1coc(C)n1 ZINC001085562846 1161946579 /nfs/dbraw/zinc/94/65/79/1161946579.db2.gz XMQDZSMSOBJXSD-GFCCVEGCSA-N 1 2 261.325 1.153 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1coc(C)n1 ZINC001085562846 1161946584 /nfs/dbraw/zinc/94/65/84/1161946584.db2.gz XMQDZSMSOBJXSD-GFCCVEGCSA-N 1 2 261.325 1.153 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)SC ZINC001754302867 1185562828 /nfs/dbraw/zinc/56/28/28/1185562828.db2.gz PCOQEKSHEZREHQ-UWVGGRQHSA-N 1 2 264.822 1.927 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H](C)SC ZINC001754302867 1185562835 /nfs/dbraw/zinc/56/28/35/1185562835.db2.gz PCOQEKSHEZREHQ-UWVGGRQHSA-N 1 2 264.822 1.927 20 30 CDEDLO C#CCC(C)(C)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000184939223 518239931 /nfs/dbraw/zinc/23/99/31/518239931.db2.gz YGHUZXKPEUMZLX-UHFFFAOYSA-N 1 2 285.391 1.775 20 30 CDEDLO C#CCNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000184868220 518278439 /nfs/dbraw/zinc/27/84/39/518278439.db2.gz BYBXNGUFHLFPJH-GFCCVEGCSA-N 1 2 277.393 1.770 20 30 CDEDLO C#C[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000184692496 518357226 /nfs/dbraw/zinc/35/72/26/518357226.db2.gz PDDQLKMOLAICJQ-WRWORJQWSA-N 1 2 299.143 1.726 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](CC(C)C)OC)CC1 ZINC001113320516 1162153720 /nfs/dbraw/zinc/15/37/20/1162153720.db2.gz FFTWUQIDVHWHSD-HNNXBMFYSA-N 1 2 298.427 1.394 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CNC(=O)CC2CCCC2)CC1 ZINC001113431956 1162174196 /nfs/dbraw/zinc/17/41/96/1162174196.db2.gz BZMOGEDMCWQPRF-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO [O-]C(N[C@@H]1CC=CCC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330264482 534758586 /nfs/dbraw/zinc/75/85/86/534758586.db2.gz XZQANOFYYYRCIJ-NEPJUHHUSA-N 1 2 260.341 1.810 20 30 CDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1CC=CCC1 ZINC000330264482 534758588 /nfs/dbraw/zinc/75/85/88/534758588.db2.gz XZQANOFYYYRCIJ-NEPJUHHUSA-N 1 2 260.341 1.810 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000354474110 526623275 /nfs/dbraw/zinc/62/32/75/526623275.db2.gz HPCFXCQPWQBCMO-CYBMUJFWSA-N 1 2 289.379 1.205 20 30 CDEDLO C=CCOCC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000354733222 526710173 /nfs/dbraw/zinc/71/01/73/526710173.db2.gz OPORFSIGIKZKSB-UHFFFAOYSA-N 1 2 259.309 1.462 20 30 CDEDLO Cc1sc(NC(=O)C[N@H+](C)CCO)c(C#N)c1C ZINC000049633541 526881081 /nfs/dbraw/zinc/88/10/81/526881081.db2.gz QUWKTFWIHIKAJM-UHFFFAOYSA-N 1 2 267.354 1.099 20 30 CDEDLO Cc1sc(NC(=O)C[N@@H+](C)CCO)c(C#N)c1C ZINC000049633541 526881083 /nfs/dbraw/zinc/88/10/83/526881083.db2.gz QUWKTFWIHIKAJM-UHFFFAOYSA-N 1 2 267.354 1.099 20 30 CDEDLO C=CCCCNC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000354505782 527217698 /nfs/dbraw/zinc/21/76/98/527217698.db2.gz YOPAXEKQKNJEBD-ZDUSSCGKSA-N 1 2 291.399 1.764 20 30 CDEDLO CC(C)(O)CN(C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000330283676 527331012 /nfs/dbraw/zinc/33/10/12/527331012.db2.gz WJZLIFHLLBTMPN-LLVKDONJSA-N 1 2 292.383 1.347 20 30 CDEDLO COC[C@@H](C)[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341808346 536525186 /nfs/dbraw/zinc/52/51/86/536525186.db2.gz KCWVEKAHRZOZHT-DOMZBBRYSA-N 1 2 260.337 1.966 20 30 CDEDLO COC[C@@H](C)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341808346 536525193 /nfs/dbraw/zinc/52/51/93/536525193.db2.gz KCWVEKAHRZOZHT-DOMZBBRYSA-N 1 2 260.337 1.966 20 30 CDEDLO CCOC(=O)c1coc(C[NH+]2CCN(CC#N)CC2)c1 ZINC000353656603 528324955 /nfs/dbraw/zinc/32/49/55/528324955.db2.gz DRUQJKBRSUHKQI-UHFFFAOYSA-N 1 2 277.324 1.097 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000331571200 528694072 /nfs/dbraw/zinc/69/40/72/528694072.db2.gz ZMKJHKNXLNJZGW-OCCSQVGLSA-N 1 2 279.384 1.105 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000331571200 528694076 /nfs/dbraw/zinc/69/40/76/528694076.db2.gz ZMKJHKNXLNJZGW-OCCSQVGLSA-N 1 2 279.384 1.105 20 30 CDEDLO CC(C)(CNC(=O)NC[C@]1(C)CCOC1)[NH+]1CCOCC1 ZINC000329376523 538563220 /nfs/dbraw/zinc/56/32/20/538563220.db2.gz LLDIKLYGUAKMNM-HNNXBMFYSA-N 1 2 299.415 1.027 20 30 CDEDLO C=CCN(CC(=O)OCC)Cc1cc(OC)cc[nH+]1 ZINC000106933816 1174760140 /nfs/dbraw/zinc/76/01/40/1174760140.db2.gz OQEWHMAEZQUHIE-UHFFFAOYSA-N 1 2 264.325 1.641 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+](CC)CCC(F)(F)F ZINC000604525273 574481536 /nfs/dbraw/zinc/48/15/36/574481536.db2.gz FTXYIPBPKVTUED-UHFFFAOYSA-N 1 2 281.278 1.273 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+](CC)CCC(F)(F)F ZINC000604525273 574481538 /nfs/dbraw/zinc/48/15/38/574481538.db2.gz FTXYIPBPKVTUED-UHFFFAOYSA-N 1 2 281.278 1.273 20 30 CDEDLO N#CCn1cc(NC(=O)Cc2cn3ccccc3[nH+]2)cn1 ZINC000726771550 574505318 /nfs/dbraw/zinc/50/53/18/574505318.db2.gz ZBWQZINWWUMWCX-UHFFFAOYSA-N 1 2 280.291 1.236 20 30 CDEDLO CCOc1ccc(O)c(/C=N\CC[N@@H+]2CCOC[C@H]2C)c1 ZINC000729149687 574723447 /nfs/dbraw/zinc/72/34/47/574723447.db2.gz NUBJFMCCDVFGIE-GPLLRDDGSA-N 1 2 292.379 1.931 20 30 CDEDLO CCOc1ccc(O)c(/C=N\CC[N@H+]2CCOC[C@H]2C)c1 ZINC000729149687 574723449 /nfs/dbraw/zinc/72/34/49/574723449.db2.gz NUBJFMCCDVFGIE-GPLLRDDGSA-N 1 2 292.379 1.931 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000735495283 575473298 /nfs/dbraw/zinc/47/32/98/575473298.db2.gz SVSHQFITJPQUTF-AWEZNQCLSA-N 1 2 274.389 1.526 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000735495283 575473302 /nfs/dbraw/zinc/47/33/02/575473302.db2.gz SVSHQFITJPQUTF-AWEZNQCLSA-N 1 2 274.389 1.526 20 30 CDEDLO CCc1cc(NCCNc2ccc(C#N)cn2)nc[nH+]1 ZINC000733187729 575104441 /nfs/dbraw/zinc/10/44/41/575104441.db2.gz VHQCBDKKXYXQPC-UHFFFAOYSA-N 1 2 268.324 1.830 20 30 CDEDLO C#CC(C)(C)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000733976601 575147539 /nfs/dbraw/zinc/14/75/39/575147539.db2.gz KHEZRSIZVNAXRJ-UHFFFAOYSA-N 1 2 254.293 1.409 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000770612589 575473085 /nfs/dbraw/zinc/47/30/85/575473085.db2.gz RZQISEHODXHXTK-LLVKDONJSA-N 1 2 260.341 1.941 20 30 CDEDLO C=CCCCCNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000771312752 575566015 /nfs/dbraw/zinc/56/60/15/575566015.db2.gz ZDNASWWGZPBJAM-ZDUSSCGKSA-N 1 2 269.389 1.363 20 30 CDEDLO C=CCCCCNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000771312752 575566017 /nfs/dbraw/zinc/56/60/17/575566017.db2.gz ZDNASWWGZPBJAM-ZDUSSCGKSA-N 1 2 269.389 1.363 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000736673709 575717062 /nfs/dbraw/zinc/71/70/62/575717062.db2.gz NIZZSLUEUQFCIR-DZGCQCFKSA-N 1 2 287.363 1.024 20 30 CDEDLO C[C@@H]1CC(=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)CCO1 ZINC000773205926 575791202 /nfs/dbraw/zinc/79/12/02/575791202.db2.gz BBWQUXXJMNILQY-YUSALJHKSA-N 1 2 250.346 1.401 20 30 CDEDLO C[C@@H]1CC(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)CCO1 ZINC000773205926 575791204 /nfs/dbraw/zinc/79/12/04/575791204.db2.gz BBWQUXXJMNILQY-YUSALJHKSA-N 1 2 250.346 1.401 20 30 CDEDLO CON=CC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000773830039 575839758 /nfs/dbraw/zinc/83/97/58/575839758.db2.gz JHOIDUDKYBYQOM-UHFFFAOYSA-N 1 2 258.281 1.658 20 30 CDEDLO N#CC1(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCCCC1 ZINC000767519979 576200459 /nfs/dbraw/zinc/20/04/59/576200459.db2.gz ZGAIMDHTBRWSAS-OKILXGFUSA-N 1 2 292.379 1.867 20 30 CDEDLO N#CC1(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCCCC1 ZINC000767519979 576200462 /nfs/dbraw/zinc/20/04/62/576200462.db2.gz ZGAIMDHTBRWSAS-OKILXGFUSA-N 1 2 292.379 1.867 20 30 CDEDLO C#CCCN(CC(F)(F)F)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000768617410 576300548 /nfs/dbraw/zinc/30/05/48/576300548.db2.gz FIYBNSNRSRSOMJ-LLVKDONJSA-N 1 2 299.296 1.860 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)nc1C ZINC000760092888 576457255 /nfs/dbraw/zinc/45/72/55/576457255.db2.gz ZLGBWJMHLGROAZ-ZDUSSCGKSA-N 1 2 273.336 1.435 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)nc1C ZINC000760092888 576457256 /nfs/dbraw/zinc/45/72/56/576457256.db2.gz ZLGBWJMHLGROAZ-ZDUSSCGKSA-N 1 2 273.336 1.435 20 30 CDEDLO N#CCCN1CC[NH+](C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000760945572 576528151 /nfs/dbraw/zinc/52/81/51/576528151.db2.gz ZZIDAQQNEIKHHE-OAHLLOKOSA-N 1 2 295.333 1.529 20 30 CDEDLO C=CCNC(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@H+]1CC ZINC000741148003 576539168 /nfs/dbraw/zinc/53/91/68/576539168.db2.gz GLKLOILSYMRTKZ-NWDGAFQWSA-N 1 2 268.357 1.095 20 30 CDEDLO C=CCNC(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000741148003 576539172 /nfs/dbraw/zinc/53/91/72/576539172.db2.gz GLKLOILSYMRTKZ-NWDGAFQWSA-N 1 2 268.357 1.095 20 30 CDEDLO c1cn(-c2ccc(N=NC[C@H]3CCOC3)nn2)c[nH+]1 ZINC000761837262 576596724 /nfs/dbraw/zinc/59/67/24/576596724.db2.gz VPOJAUKEBJPMOS-SNVBAGLBSA-N 1 2 258.285 1.097 20 30 CDEDLO CC#CCNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000762559837 576654339 /nfs/dbraw/zinc/65/43/39/576654339.db2.gz PKLDEYDGOYIZIP-UHFFFAOYSA-N 1 2 268.320 1.695 20 30 CDEDLO COC(=O)[C@@](C)([NH2+]C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000763560840 576742244 /nfs/dbraw/zinc/74/22/44/576742244.db2.gz PJUKYBFIJGQZOP-HOCLYGCPSA-N 1 2 288.347 1.523 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000754286186 576890148 /nfs/dbraw/zinc/89/01/48/576890148.db2.gz COCUFVZSCLZIOG-JTQLQIEISA-N 1 2 280.397 1.172 20 30 CDEDLO Cn1c[nH+]cc1C=NN1C(=O)c2ccccc2C1=O ZINC000755467481 576946280 /nfs/dbraw/zinc/94/62/80/576946280.db2.gz GUNBHEXKXAPQNJ-UHFFFAOYSA-N 1 2 254.249 1.050 20 30 CDEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)[nH]1 ZINC000751686008 577058698 /nfs/dbraw/zinc/05/86/98/577058698.db2.gz AYJCVTVEYJVCKL-ZDUSSCGKSA-N 1 2 285.351 1.928 20 30 CDEDLO CC[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)C[C@@H](C)C#N ZINC000825428384 608598393 /nfs/dbraw/zinc/59/83/93/608598393.db2.gz LGVLGIWEJNNOJR-VIFPVBQESA-N 1 2 260.301 1.441 20 30 CDEDLO CC[N@H+](Cc1ccc(-c2nn[nH]n2)o1)C[C@@H](C)C#N ZINC000825428384 608598395 /nfs/dbraw/zinc/59/83/95/608598395.db2.gz LGVLGIWEJNNOJR-VIFPVBQESA-N 1 2 260.301 1.441 20 30 CDEDLO C=CC[C@@H]1CCN1C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000890550678 617203789 /nfs/dbraw/zinc/20/37/89/617203789.db2.gz ZZPLCIFYTVCVHA-YPDDLIOESA-N 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/nfs/dbraw/zinc/36/85/43/613368543.db2.gz NYNUHRZJSWQNOJ-GFCCVEGCSA-N 1 2 296.802 1.546 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cc2cccnc2)CC1 ZINC000980979757 613373275 /nfs/dbraw/zinc/37/32/75/613373275.db2.gz QPUNWVCCUVRDDO-UHFFFAOYSA-N 1 2 293.798 1.911 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cc2cccnc2)CC1 ZINC000980979757 613373276 /nfs/dbraw/zinc/37/32/76/613373276.db2.gz QPUNWVCCUVRDDO-UHFFFAOYSA-N 1 2 293.798 1.911 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2nnc[nH]2)C[C@@H]1C ZINC000947907280 613376436 /nfs/dbraw/zinc/37/64/36/613376436.db2.gz GAAODBCRXKNTEU-WDEREUQCSA-N 1 2 297.790 1.069 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2nnc[nH]2)C[C@@H]1C ZINC000947907280 613376437 /nfs/dbraw/zinc/37/64/37/613376437.db2.gz GAAODBCRXKNTEU-WDEREUQCSA-N 1 2 297.790 1.069 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC000968471605 613377855 /nfs/dbraw/zinc/37/78/55/613377855.db2.gz IAUUSFNYDRJQGP-CMPLNLGQSA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC000968471605 613377856 /nfs/dbraw/zinc/37/78/56/613377856.db2.gz IAUUSFNYDRJQGP-CMPLNLGQSA-N 1 2 296.802 1.531 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc(C)no2)C1 ZINC000969585477 613436690 /nfs/dbraw/zinc/43/66/90/613436690.db2.gz WVESVTQMNHBCNO-ZYHUDNBSSA-N 1 2 292.383 1.842 20 30 CDEDLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000933216423 617376054 /nfs/dbraw/zinc/37/60/54/617376054.db2.gz HXVJTRPYBAVPTB-CQSZACIVSA-N 1 2 287.363 1.667 20 30 CDEDLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000933216423 617376055 /nfs/dbraw/zinc/37/60/55/617376055.db2.gz HXVJTRPYBAVPTB-CQSZACIVSA-N 1 2 287.363 1.667 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CC[C@@H]2CC[C@H](C)O2)CC1 ZINC000957731017 613561951 /nfs/dbraw/zinc/56/19/51/613561951.db2.gz WDKQWRNMPADFAX-GJZGRUSLSA-N 1 2 278.396 1.502 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2cccnc2C)CC1 ZINC000950481149 613564140 /nfs/dbraw/zinc/56/41/40/613564140.db2.gz FCUFSDLWQSZJDR-UHFFFAOYSA-N 1 2 271.364 1.100 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](F)C(C)C)C2)C1 ZINC000972501097 613570673 /nfs/dbraw/zinc/57/06/73/613570673.db2.gz AJZWCTKYGKGIFL-GDBMZVCRSA-N 1 2 296.386 1.307 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](F)C(C)C)C2)C1 ZINC000972501097 613570675 /nfs/dbraw/zinc/57/06/75/613570675.db2.gz AJZWCTKYGKGIFL-GDBMZVCRSA-N 1 2 296.386 1.307 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H](C)n2ccc(C)n2)CC1 ZINC000949640695 613708921 /nfs/dbraw/zinc/70/89/21/613708921.db2.gz XIYCIEMUXSBJQU-CQSZACIVSA-N 1 2 276.384 1.473 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2cccc(OCC)c2)CC1 ZINC000957809313 613709367 /nfs/dbraw/zinc/70/93/67/613709367.db2.gz SNTSJWOCAOBLRJ-UHFFFAOYSA-N 1 2 288.391 1.958 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2OCc3ccccc32)CC1 ZINC000957495203 613709556 /nfs/dbraw/zinc/70/95/56/613709556.db2.gz OMGFFSXPDAGZCS-MRXNPFEDSA-N 1 2 286.375 1.978 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2Cc3ccccc32)CC1 ZINC000949947431 613713638 /nfs/dbraw/zinc/71/36/38/613713638.db2.gz HQVWOGQPIQUBIM-HNNXBMFYSA-N 1 2 256.349 1.657 20 30 CDEDLO CC(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930746853 617528426 /nfs/dbraw/zinc/52/84/26/617528426.db2.gz GFJPBBKYUNHDFV-CQSZACIVSA-N 1 2 277.755 1.922 20 30 CDEDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930746853 617528429 /nfs/dbraw/zinc/52/84/29/617528429.db2.gz GFJPBBKYUNHDFV-CQSZACIVSA-N 1 2 277.755 1.922 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891715414 617552431 /nfs/dbraw/zinc/55/24/31/617552431.db2.gz DLCCMVRNXJEJIB-GRYCIOLGSA-N 1 2 256.321 1.712 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891715414 617552433 /nfs/dbraw/zinc/55/24/33/617552433.db2.gz DLCCMVRNXJEJIB-GRYCIOLGSA-N 1 2 256.321 1.712 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891715468 617552685 /nfs/dbraw/zinc/55/26/85/617552685.db2.gz DLCCMVRNXJEJIB-WOPDTQHZSA-N 1 2 256.321 1.712 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891715468 617552688 /nfs/dbraw/zinc/55/26/88/617552688.db2.gz DLCCMVRNXJEJIB-WOPDTQHZSA-N 1 2 256.321 1.712 20 30 CDEDLO C[N@H+](Cc1ccon1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971510761 616088524 /nfs/dbraw/zinc/08/85/24/616088524.db2.gz GGINMMQZRWFWHO-AWEZNQCLSA-N 1 2 273.336 1.121 20 30 CDEDLO C[N@@H+](Cc1ccon1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971510761 616088526 /nfs/dbraw/zinc/08/85/26/616088526.db2.gz GGINMMQZRWFWHO-AWEZNQCLSA-N 1 2 273.336 1.121 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CO)c(OC(F)F)c1 ZINC000934026832 617851936 /nfs/dbraw/zinc/85/19/36/617851936.db2.gz OMZYVMNKQSRMCJ-NSHDSACASA-N 1 2 268.263 1.726 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CO)c(OC(F)F)c1 ZINC000934026832 617851939 /nfs/dbraw/zinc/85/19/39/617851939.db2.gz OMZYVMNKQSRMCJ-NSHDSACASA-N 1 2 268.263 1.726 20 30 CDEDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2csc(C#N)c2)C1 ZINC000893438307 617885762 /nfs/dbraw/zinc/88/57/62/617885762.db2.gz YZAYCNWHEVVAAC-LBPRGKRZSA-N 1 2 299.421 1.133 20 30 CDEDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000893438307 617885765 /nfs/dbraw/zinc/88/57/65/617885765.db2.gz YZAYCNWHEVVAAC-LBPRGKRZSA-N 1 2 299.421 1.133 20 30 CDEDLO COc1cccc(/C=N/[C@H](C)C[NH+]2CCOCC2)c1O ZINC000044009987 618287089 /nfs/dbraw/zinc/28/70/89/618287089.db2.gz BFUGQFBGUBXVHL-HMHNVIDESA-N 1 2 278.352 1.540 20 30 CDEDLO C#C[C@H]1COCCN1c1cc(C)[nH+]c(C2CCC2)n1 ZINC000894169673 618650914 /nfs/dbraw/zinc/65/09/14/618650914.db2.gz MUEQRUZMWDOFNG-ZDUSSCGKSA-N 1 2 257.337 1.891 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cn(CC)nc2C)C1=O ZINC000894232386 618740161 /nfs/dbraw/zinc/74/01/61/618740161.db2.gz ZMLWTZMSLRKBQR-AWEZNQCLSA-N 1 2 276.384 1.430 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cn(CC)nc2C)C1=O ZINC000894232386 618740162 /nfs/dbraw/zinc/74/01/62/618740162.db2.gz ZMLWTZMSLRKBQR-AWEZNQCLSA-N 1 2 276.384 1.430 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1=S ZINC000151194474 618816515 /nfs/dbraw/zinc/81/65/15/618816515.db2.gz OPPRZUCHUOKOKQ-PHIMTYICSA-N 1 2 265.386 1.684 20 30 CDEDLO C=CCn1nnn(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1=S ZINC000151194474 618816520 /nfs/dbraw/zinc/81/65/20/618816520.db2.gz OPPRZUCHUOKOKQ-PHIMTYICSA-N 1 2 265.386 1.684 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC2(C1)OCCO2 ZINC000749576384 619310426 /nfs/dbraw/zinc/31/04/26/619310426.db2.gz QMLSDZDXVMTGQB-UHFFFAOYSA-N 1 2 282.384 1.250 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC2(C1)OCCO2 ZINC000749576384 619310428 /nfs/dbraw/zinc/31/04/28/619310428.db2.gz QMLSDZDXVMTGQB-UHFFFAOYSA-N 1 2 282.384 1.250 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2ccnc(Cl)c2F)CCCN1O ZINC000895158504 619375342 /nfs/dbraw/zinc/37/53/42/619375342.db2.gz KTGPQMZPAQTXMG-QMMMGPOBSA-N 1 2 273.695 1.344 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H](CC)C[NH+]2CCOCC2)cc1 ZINC000928647527 620316871 /nfs/dbraw/zinc/31/68/71/620316871.db2.gz HRVJPDJHPDICJC-MRXNPFEDSA-N 1 2 286.375 1.509 20 30 CDEDLO Cc1ccc(C(=O)/C=C\C(=O)N2CC[NH+](C)CC2)cc1 ZINC000899904439 622520948 /nfs/dbraw/zinc/52/09/48/622520948.db2.gz IYFJHCGKCCYQDO-FPLPWBNLSA-N 1 2 272.348 1.508 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000905722534 626946624 /nfs/dbraw/zinc/94/66/24/626946624.db2.gz JEHRMDIYGVMSNI-HZMBPMFUSA-N 1 2 274.320 1.554 20 30 CDEDLO N#C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000905722534 626946626 /nfs/dbraw/zinc/94/66/26/626946626.db2.gz JEHRMDIYGVMSNI-HZMBPMFUSA-N 1 2 274.320 1.554 20 30 CDEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000908660347 628320508 /nfs/dbraw/zinc/32/05/08/628320508.db2.gz NCMKWYZMTBGGTD-GFCCVEGCSA-N 1 2 275.352 1.869 20 30 CDEDLO Cc1cc(C)c(C(=O)N2CC[C@](O)(CC#N)C2)c(C)[nH+]1 ZINC000911527164 629317165 /nfs/dbraw/zinc/31/71/65/629317165.db2.gz YHDBYCXSJUFVPA-OAHLLOKOSA-N 1 2 273.336 1.498 20 30 CDEDLO C[C@H](O[NH+]=C(N)c1ccccc1)C(=O)NCC(F)(F)F ZINC000028785047 629775854 /nfs/dbraw/zinc/77/58/54/629775854.db2.gz IZIBNKCIKZVISP-QMMMGPOBSA-N 1 2 289.257 1.391 20 30 CDEDLO C=CCCONC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000912627272 630114660 /nfs/dbraw/zinc/11/46/60/630114660.db2.gz BSJMWUMTBIEHEJ-UHFFFAOYSA-N 1 2 293.367 1.058 20 30 CDEDLO Cn1c(N)nc(Cl)c1C=[NH+]OC[C@@H]1CCOC1 ZINC000814911600 631461415 /nfs/dbraw/zinc/46/14/15/631461415.db2.gz AGBGJLBSRABOKJ-SSDOTTSWSA-N 1 2 258.709 1.043 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)N1CCC[C@@H](C#N)C1)[NH+]1CCOCC1 ZINC000917015412 632126225 /nfs/dbraw/zinc/12/62/25/632126225.db2.gz HZTNDVMNAUXFFI-MJBXVCDLSA-N 1 2 294.399 1.041 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C)CCC2)[C@H](O)C1 ZINC001090492451 1162701601 /nfs/dbraw/zinc/70/16/01/1162701601.db2.gz JOVLMZHUXZUKDC-VXGBXAGGSA-N 1 2 286.803 1.481 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CCC2)[C@H](O)C1 ZINC001090492451 1162701606 /nfs/dbraw/zinc/70/16/06/1162701606.db2.gz JOVLMZHUXZUKDC-VXGBXAGGSA-N 1 2 286.803 1.481 20 30 CDEDLO C=CCOCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001131945875 1163120185 /nfs/dbraw/zinc/12/01/85/1163120185.db2.gz BZUFNOHBYSXAHJ-QWHCGFSZSA-N 1 2 286.803 1.911 20 30 CDEDLO C=CCOCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=C)Cl)C1 ZINC001131945875 1163120189 /nfs/dbraw/zinc/12/01/89/1163120189.db2.gz BZUFNOHBYSXAHJ-QWHCGFSZSA-N 1 2 286.803 1.911 20 30 CDEDLO COc1ccnc(C(=N)Nc2ccn3cc[nH+]c3c2)n1 ZINC001168422026 1161044934 /nfs/dbraw/zinc/04/49/34/1161044934.db2.gz FGVNPXOZBFSYEU-UHFFFAOYSA-N 1 2 268.280 1.170 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nocc2C)C1 ZINC001080733164 1161566915 /nfs/dbraw/zinc/56/69/15/1161566915.db2.gz FLNUCEMORISHML-LDYMZIIASA-N 1 2 283.759 1.786 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nocc2C)C1 ZINC001080733164 1161566918 /nfs/dbraw/zinc/56/69/18/1161566918.db2.gz FLNUCEMORISHML-LDYMZIIASA-N 1 2 283.759 1.786 20 30 CDEDLO C=CC[C@@](C)([NH2+][C@@H]1CC[C@H](C(=O)OCC)OC1)C(=O)OC ZINC001169368440 1162006211 /nfs/dbraw/zinc/00/62/11/1162006211.db2.gz STQZBAMNPFYODT-LALPHHSUSA-N 1 2 299.367 1.195 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)C2(CCF)CC2)CC1 ZINC001113142619 1162110350 /nfs/dbraw/zinc/11/03/50/1162110350.db2.gz BUTSMKWBBXEOJT-UHFFFAOYSA-N 1 2 254.349 1.847 20 30 CDEDLO COc1cc(C=NNc2[nH+]ccn2C)ccc1-c1nn[nH]n1 ZINC001609341516 1164905929 /nfs/dbraw/zinc/90/59/29/1164905929.db2.gz VJIPWMWCAIZADI-UHFFFAOYSA-N 1 2 298.310 1.055 20 30 CDEDLO C=CC[N@H+](CN1C[C@H]2CCCCN2C1=O)[C@@H](C)COC ZINC000872624090 1165459009 /nfs/dbraw/zinc/45/90/09/1165459009.db2.gz HTROYDICXVDEAL-UONOGXRCSA-N 1 2 281.400 1.757 20 30 CDEDLO C=CC[N@@H+](CN1C[C@H]2CCCCN2C1=O)[C@@H](C)COC ZINC000872624090 1165459014 /nfs/dbraw/zinc/45/90/14/1165459014.db2.gz HTROYDICXVDEAL-UONOGXRCSA-N 1 2 281.400 1.757 20 30 CDEDLO C=CCCC(=O)NCCC[NH2+][C@@H](C)c1noc(C)n1 ZINC001155586782 1167245026 /nfs/dbraw/zinc/24/50/26/1167245026.db2.gz KINVCLPRINXJSC-JTQLQIEISA-N 1 2 266.345 1.501 20 30 CDEDLO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(C#N)ccc1O ZINC001232677139 1167389890 /nfs/dbraw/zinc/38/98/90/1167389890.db2.gz IHMKUUXAXQGXCA-KRWDZBQOSA-N 1 2 299.374 1.851 20 30 CDEDLO CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(C#N)ccc1O ZINC001232677139 1167389896 /nfs/dbraw/zinc/38/98/96/1167389896.db2.gz IHMKUUXAXQGXCA-KRWDZBQOSA-N 1 2 299.374 1.851 20 30 CDEDLO N#Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cs1 ZINC001649908461 1169487236 /nfs/dbraw/zinc/48/72/36/1169487236.db2.gz YAWNATFEVINGPY-GFCCVEGCSA-N 1 2 291.376 1.166 20 30 CDEDLO Cc1cc(-c2nn[nH]n2)ccc1C[N@H+](C)CCC#N ZINC001591865071 1173729049 /nfs/dbraw/zinc/72/90/49/1173729049.db2.gz RHMXSBYBCIRDQS-UHFFFAOYSA-N 1 2 256.313 1.521 20 30 CDEDLO Cc1cc(-c2nn[nH]n2)ccc1C[N@@H+](C)CCC#N ZINC001591865071 1173729056 /nfs/dbraw/zinc/72/90/56/1173729056.db2.gz RHMXSBYBCIRDQS-UHFFFAOYSA-N 1 2 256.313 1.521 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC2(C)CC2)C1 ZINC001713786486 1178752433 /nfs/dbraw/zinc/75/24/33/1178752433.db2.gz AEARTPJSEYKMLM-CYBMUJFWSA-N 1 2 293.411 1.059 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC2(C)CC2)C1 ZINC001713786486 1178752438 /nfs/dbraw/zinc/75/24/38/1178752438.db2.gz AEARTPJSEYKMLM-CYBMUJFWSA-N 1 2 293.411 1.059 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)OCC ZINC001752525204 1184874888 /nfs/dbraw/zinc/87/48/88/1184874888.db2.gz XUUVDJQOUDLLJA-ZNMIVQPWSA-N 1 2 278.396 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)OCC ZINC001752525204 1184874891 /nfs/dbraw/zinc/87/48/91/1184874891.db2.gz XUUVDJQOUDLLJA-ZNMIVQPWSA-N 1 2 278.396 1.500 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](C)SC ZINC001753042943 1185009707 /nfs/dbraw/zinc/00/97/07/1185009707.db2.gz KHQIIKZPAMAZDR-VIFPVBQESA-N 1 2 250.795 1.538 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](C)SC ZINC001753042943 1185009711 /nfs/dbraw/zinc/00/97/11/1185009711.db2.gz KHQIIKZPAMAZDR-VIFPVBQESA-N 1 2 250.795 1.538 20 30 CDEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=C)Cl ZINC001753102668 1185061596 /nfs/dbraw/zinc/06/15/96/1185061596.db2.gz MMRSEJVFWZUBDO-STQMWFEESA-N 1 2 284.787 1.358 20 30 CDEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC(=C)Cl ZINC001753102668 1185061600 /nfs/dbraw/zinc/06/16/00/1185061600.db2.gz MMRSEJVFWZUBDO-STQMWFEESA-N 1 2 284.787 1.358 20 30 CDEDLO C#CCCCC(=O)N(C)CC[NH2+][C@@H](C)c1nc(CC)no1 ZINC001753184280 1185108814 /nfs/dbraw/zinc/10/88/14/1185108814.db2.gz GWKTZKOFXDUPLL-LBPRGKRZSA-N 1 2 292.383 1.545 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N(C)CC[NH2+]Cc1nnc(C)o1 ZINC001753228437 1185124706 /nfs/dbraw/zinc/12/47/06/1185124706.db2.gz VZNUXFKDADJOAW-AWEZNQCLSA-N 1 2 280.372 1.528 20 30 CDEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCCC1 ZINC001753422580 1185196892 /nfs/dbraw/zinc/19/68/92/1185196892.db2.gz BZOWLAKBZVVLSN-GJZGRUSLSA-N 1 2 290.407 1.502 20 30 CDEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCCC1 ZINC001753422580 1185196897 /nfs/dbraw/zinc/19/68/97/1185196897.db2.gz BZOWLAKBZVVLSN-GJZGRUSLSA-N 1 2 290.407 1.502 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)COCC)C1 ZINC001753429835 1185202427 /nfs/dbraw/zinc/20/24/27/1185202427.db2.gz DDPDHAAIULUELG-NSHDSACASA-N 1 2 260.765 1.308 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)COCC)C1 ZINC001753429835 1185202431 /nfs/dbraw/zinc/20/24/31/1185202431.db2.gz DDPDHAAIULUELG-NSHDSACASA-N 1 2 260.765 1.308 20 30 CDEDLO C=CCC1(C(=O)N(C)C2C[NH+](C[C@@H](C)O)C2)CCC1 ZINC001754581350 1185673880 /nfs/dbraw/zinc/67/38/80/1185673880.db2.gz ZMGFAILLEGKAAU-GFCCVEGCSA-N 1 2 266.385 1.256 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H](C)[C@H]2CCCO2)C1 ZINC001754585859 1185674902 /nfs/dbraw/zinc/67/49/02/1185674902.db2.gz FTDPOWYFNJXPBA-DZGCQCFKSA-N 1 2 280.412 1.910 20 30 CDEDLO C[C@@]1(CNCC#N)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001754698625 1185710473 /nfs/dbraw/zinc/71/04/73/1185710473.db2.gz QENKKMIUVVUMOQ-INIZCTEOSA-N 1 2 297.362 1.528 20 30 CDEDLO C[C@@]1(CNC(=O)CCc2c[nH]c[nH+]2)CCCN(CC#N)C1 ZINC001754727275 1185716441 /nfs/dbraw/zinc/71/64/41/1185716441.db2.gz HILSJRPPMKHWFS-HNNXBMFYSA-N 1 2 289.383 1.084 20 30 CDEDLO C[C@@]1(CNC(=O)CCc2c[nH+]c[nH]2)CCCN(CC#N)C1 ZINC001754727275 1185716444 /nfs/dbraw/zinc/71/64/44/1185716444.db2.gz HILSJRPPMKHWFS-HNNXBMFYSA-N 1 2 289.383 1.084 20 30 CDEDLO C#CCCCCC(=O)NC[C@H]1COCC[N@H+]1C[C@H](C)OC ZINC001754964936 1185771790 /nfs/dbraw/zinc/77/17/90/1185771790.db2.gz HDBKDPJMTPAUHI-GJZGRUSLSA-N 1 2 296.411 1.032 20 30 CDEDLO C#CCCCCC(=O)NC[C@H]1COCC[N@@H+]1C[C@H](C)OC ZINC001754964936 1185771795 /nfs/dbraw/zinc/77/17/95/1185771795.db2.gz HDBKDPJMTPAUHI-GJZGRUSLSA-N 1 2 296.411 1.032 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N(C)CCC[N@H+](C)Cc1cnon1 ZINC001755042093 1185796504 /nfs/dbraw/zinc/79/65/04/1185796504.db2.gz UAUNOGSMGKLDQH-HNNXBMFYSA-N 1 2 294.399 1.952 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N(C)CCC[N@@H+](C)Cc1cnon1 ZINC001755042093 1185796507 /nfs/dbraw/zinc/79/65/07/1185796507.db2.gz UAUNOGSMGKLDQH-HNNXBMFYSA-N 1 2 294.399 1.952 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1nc(C)no1 ZINC001755588805 1186003519 /nfs/dbraw/zinc/00/35/19/1186003519.db2.gz HDCBHGQJFJTDHB-LLVKDONJSA-N 1 2 294.399 1.917 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2c[nH]nc21 ZINC001038260966 751347414 /nfs/dbraw/zinc/34/74/14/751347414.db2.gz IKFVCAZGCZNLRS-KBPBESRZSA-N 1 2 286.379 1.043 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2c[nH]nc21 ZINC001038260966 751347423 /nfs/dbraw/zinc/34/74/23/751347423.db2.gz IKFVCAZGCZNLRS-KBPBESRZSA-N 1 2 286.379 1.043 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccoc3)C[C@H]21 ZINC001074170983 751348941 /nfs/dbraw/zinc/34/89/41/751348941.db2.gz RPIUVEBJVRYBKQ-HUUCEWRRSA-N 1 2 288.347 1.218 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccoc3)C[C@H]21 ZINC001074170983 751348947 /nfs/dbraw/zinc/34/89/47/751348947.db2.gz RPIUVEBJVRYBKQ-HUUCEWRRSA-N 1 2 288.347 1.218 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001030470776 753329831 /nfs/dbraw/zinc/32/98/31/753329831.db2.gz RZAYONYDGYRTEV-YPMHNXCESA-N 1 2 252.358 1.178 20 30 CDEDLO Cc1[nH+]cc(C=NNC(=S)N[C@H](C)C2CC2)n1C ZINC000853315981 753377200 /nfs/dbraw/zinc/37/72/00/753377200.db2.gz DDNWSKSBWIPAGK-MRVPVSSYSA-N 1 2 265.386 1.325 20 30 CDEDLO CCOCCO[NH+]=C(C)c1cc([N+](=O)[O-])ccc1N ZINC000814907504 753392836 /nfs/dbraw/zinc/39/28/36/753392836.db2.gz MIGADGIEQHKMSD-UHFFFAOYSA-N 1 2 267.285 1.954 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)cc1 ZINC000191536009 751484671 /nfs/dbraw/zinc/48/46/71/751484671.db2.gz VIHJSNTWUYTHRO-XJKSGUPXSA-N 1 2 275.348 1.280 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)cc1 ZINC000191536009 751484677 /nfs/dbraw/zinc/48/46/77/751484677.db2.gz VIHJSNTWUYTHRO-XJKSGUPXSA-N 1 2 275.348 1.280 20 30 CDEDLO CCCCCNC(=S)NN=Cc1c[nH+]c(C)n1C ZINC000853279126 751535633 /nfs/dbraw/zinc/53/56/33/751535633.db2.gz NDYYJVLIYWJIKU-UHFFFAOYSA-N 1 2 267.402 1.717 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001024604919 751555035 /nfs/dbraw/zinc/55/50/35/751555035.db2.gz RNVAXIXRXMRAGS-MQYQWHSLSA-N 1 2 298.814 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001024604919 751555062 /nfs/dbraw/zinc/55/50/62/751555062.db2.gz RNVAXIXRXMRAGS-MQYQWHSLSA-N 1 2 298.814 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001034120183 753747593 /nfs/dbraw/zinc/74/75/93/753747593.db2.gz DCAYVHLXXMBDBE-LBPRGKRZSA-N 1 2 282.775 1.747 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001034120183 753747598 /nfs/dbraw/zinc/74/75/98/753747598.db2.gz DCAYVHLXXMBDBE-LBPRGKRZSA-N 1 2 282.775 1.747 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)C2CCOCC2)C1 ZINC001046099779 751653545 /nfs/dbraw/zinc/65/35/45/751653545.db2.gz SHMIDLHMJVTBKF-AWEZNQCLSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)C2CCOCC2)C1 ZINC001046099779 751653556 /nfs/dbraw/zinc/65/35/56/751653556.db2.gz SHMIDLHMJVTBKF-AWEZNQCLSA-N 1 2 286.803 1.746 20 30 CDEDLO CC(=NN1CC[NH+](C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799104576 751703225 /nfs/dbraw/zinc/70/32/25/751703225.db2.gz BVFQVXYRTSBHEJ-UHFFFAOYSA-N 1 2 277.328 1.148 20 30 CDEDLO CC(C)N(C)c1ccc(C=[NH+]Nc2cnnn2C)cn1 ZINC000814982054 751819814 /nfs/dbraw/zinc/81/98/14/751819814.db2.gz VMSRLIHOXZSLMX-UHFFFAOYSA-N 1 2 273.344 1.501 20 30 CDEDLO C=CCOc1cccnc1C(=O)NCC1C[NH+](CCF)C1 ZINC001032114612 751814036 /nfs/dbraw/zinc/81/40/36/751814036.db2.gz GMXBCDJWEBEVKM-UHFFFAOYSA-N 1 2 293.342 1.278 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2c1CCOC2 ZINC001038495142 751818878 /nfs/dbraw/zinc/81/88/78/751818878.db2.gz FREBJYNOPQVJHR-AWEZNQCLSA-N 1 2 284.359 1.197 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2c1CCOC2 ZINC001038495142 751818879 /nfs/dbraw/zinc/81/88/79/751818879.db2.gz FREBJYNOPQVJHR-AWEZNQCLSA-N 1 2 284.359 1.197 20 30 CDEDLO Cn1nc(C2CC2)nc1CO[NH+]=C(N)c1ccc(F)cc1 ZINC000842648207 751826790 /nfs/dbraw/zinc/82/67/90/751826790.db2.gz CBCSHVXVTLLVON-UHFFFAOYSA-N 1 2 289.314 1.669 20 30 CDEDLO O[C@@H]1CCC[C@H]1NN=C1CCN(c2cccc[nH+]2)CC1 ZINC000817333038 751820546 /nfs/dbraw/zinc/82/05/46/751820546.db2.gz MIXFMCMUPAGKOB-ZIAGYGMSSA-N 1 2 274.368 1.541 20 30 CDEDLO C=CC[N@H+](CN1C[C@@H]2CCCCN2C1=O)[C@@H](C)COC 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CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1scc2c1OCCO2 ZINC001038875361 751889735 /nfs/dbraw/zinc/88/97/35/751889735.db2.gz LQGRBAGMAUIJDG-SNVBAGLBSA-N 1 2 294.376 1.509 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1scc2c1OCCO2 ZINC001038875361 751889740 /nfs/dbraw/zinc/88/97/40/751889740.db2.gz LQGRBAGMAUIJDG-SNVBAGLBSA-N 1 2 294.376 1.509 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H]1C ZINC000993688154 751895118 /nfs/dbraw/zinc/89/51/18/751895118.db2.gz NFUXVLXLXMAEED-DGTMBMJNSA-N 1 2 298.814 1.600 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H]1C ZINC000993688154 751895119 /nfs/dbraw/zinc/89/51/19/751895119.db2.gz NFUXVLXLXMAEED-DGTMBMJNSA-N 1 2 298.814 1.600 20 30 CDEDLO C=CCC1(C(=O)OCC[N@@H+]2CCO[C@H](C)C2)CCC1 ZINC000800213478 751903517 /nfs/dbraw/zinc/90/35/17/751903517.db2.gz ZSJAABLMMUBQHY-CYBMUJFWSA-N 1 2 267.369 1.997 20 30 CDEDLO C=CCC1(C(=O)OCC[N@H+]2CCO[C@H](C)C2)CCC1 ZINC000800213478 751903523 /nfs/dbraw/zinc/90/35/23/751903523.db2.gz ZSJAABLMMUBQHY-CYBMUJFWSA-N 1 2 267.369 1.997 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1c(F)cc(C)cc1F ZINC000885787140 751906579 /nfs/dbraw/zinc/90/65/79/751906579.db2.gz IVQINTHVNNPOTF-HNNXBMFYSA-N 1 2 292.329 1.987 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1c(F)cc(C)cc1F ZINC000885787140 751906608 /nfs/dbraw/zinc/90/66/08/751906608.db2.gz IVQINTHVNNPOTF-HNNXBMFYSA-N 1 2 292.329 1.987 20 30 CDEDLO Cc1cc(C)c(C(=O)N2CCO[C@@](C)(C#N)C2)c(C)[nH+]1 ZINC000887694863 752023287 /nfs/dbraw/zinc/02/32/87/752023287.db2.gz XQFSGEKBTXMNGM-HNNXBMFYSA-N 1 2 273.336 1.762 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncccc1CC ZINC001038435067 752030516 /nfs/dbraw/zinc/03/05/16/752030516.db2.gz NABRLPVBLGBYSA-CQSZACIVSA-N 1 2 271.364 1.471 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncccc1CC ZINC001038435067 752030523 /nfs/dbraw/zinc/03/05/23/752030523.db2.gz NABRLPVBLGBYSA-CQSZACIVSA-N 1 2 271.364 1.471 20 30 CDEDLO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001014430785 752088185 /nfs/dbraw/zinc/08/81/85/752088185.db2.gz GSDHVTVPKWGARJ-STQMWFEESA-N 1 2 286.379 1.043 20 30 CDEDLO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001014430785 752088188 /nfs/dbraw/zinc/08/81/88/752088188.db2.gz GSDHVTVPKWGARJ-STQMWFEESA-N 1 2 286.379 1.043 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccnn2C2CCC2)C1 ZINC001042735885 752160898 /nfs/dbraw/zinc/16/08/98/752160898.db2.gz RBTKXJNUKBJDDU-UHFFFAOYSA-N 1 2 286.379 1.388 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn2cc(C)ccc2n1 ZINC001038412752 752192814 /nfs/dbraw/zinc/19/28/14/752192814.db2.gz XHWAUGLIBKLJHT-AWEZNQCLSA-N 1 2 296.374 1.470 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cn2cc(C)ccc2n1 ZINC001038412752 752192817 /nfs/dbraw/zinc/19/28/17/752192817.db2.gz XHWAUGLIBKLJHT-AWEZNQCLSA-N 1 2 296.374 1.470 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2scnc2Cl)CC1 ZINC000989678798 749388280 /nfs/dbraw/zinc/38/82/80/749388280.db2.gz AEYGJSCRGNEUDD-UHFFFAOYSA-N 1 2 297.811 1.968 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2scnc2Cl)CC1 ZINC000989678798 749388290 /nfs/dbraw/zinc/38/82/90/749388290.db2.gz AEYGJSCRGNEUDD-UHFFFAOYSA-N 1 2 297.811 1.968 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2[nH]c(C)nc2C)C1 ZINC001043906334 749444115 /nfs/dbraw/zinc/44/41/15/749444115.db2.gz ZDCLZQMHPCFUEB-UHFFFAOYSA-N 1 2 262.357 1.359 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccn3ccnc3c2)C1 ZINC001043329026 749450442 /nfs/dbraw/zinc/45/04/42/749450442.db2.gz XIVJOBYPLQDJSX-UHFFFAOYSA-N 1 2 282.347 1.114 20 30 CDEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccoc3)C2)CC1 ZINC001051981978 749457460 /nfs/dbraw/zinc/45/74/60/749457460.db2.gz WAIHFSFZJLEUSU-OAHLLOKOSA-N 1 2 289.379 1.298 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2[nH]ccc2c1 ZINC001032462762 749508057 /nfs/dbraw/zinc/50/80/57/749508057.db2.gz WVTMSMGXVSXRQI-GJZGRUSLSA-N 1 2 294.358 1.437 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2[nH]ccc2c1 ZINC001032462762 749508062 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COC[C@@H]1COCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000933335445 749712846 /nfs/dbraw/zinc/71/28/46/749712846.db2.gz YXUCPTYCZNDKHU-CQSZACIVSA-N 1 2 276.336 1.284 20 30 CDEDLO C#Cc1ccc(NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)c(Cl)c1 ZINC000885670198 749731312 /nfs/dbraw/zinc/73/13/12/749731312.db2.gz WAFXNZXQWNIPCT-NHYWBVRUSA-N 1 2 292.766 1.715 20 30 CDEDLO C#Cc1ccc(NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)c(Cl)c1 ZINC000885670198 749731316 /nfs/dbraw/zinc/73/13/16/749731316.db2.gz WAFXNZXQWNIPCT-NHYWBVRUSA-N 1 2 292.766 1.715 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2ccoc2Cl)C1 ZINC001030255891 749780733 /nfs/dbraw/zinc/78/07/33/749780733.db2.gz KBPCRRQEXGTVFR-UHFFFAOYSA-N 1 2 254.717 1.923 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](C)C(C)(C)C ZINC000884141581 749788432 /nfs/dbraw/zinc/78/84/32/749788432.db2.gz CMLWWHNPXYNITO-QWRGUYRKSA-N 1 2 270.373 1.231 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)noc1CC ZINC001039002447 749819027 /nfs/dbraw/zinc/81/90/27/749819027.db2.gz JEEJGDLLUHPOCE-LBPRGKRZSA-N 1 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/nfs/dbraw/zinc/83/99/68/749839968.db2.gz INHPMMNOFMYVHK-LVQVYYBASA-N 1 2 290.407 1.500 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccnnc2C)C1 ZINC001033238810 749852655 /nfs/dbraw/zinc/85/26/55/749852655.db2.gz RZWYIVJUGQHOIA-GFCCVEGCSA-N 1 2 294.786 1.684 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnnc2C)C1 ZINC001033238810 749852656 /nfs/dbraw/zinc/85/26/56/749852656.db2.gz RZWYIVJUGQHOIA-GFCCVEGCSA-N 1 2 294.786 1.684 20 30 CDEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2scnc2CC)C1 ZINC001007467338 749870304 /nfs/dbraw/zinc/87/03/04/749870304.db2.gz VWRDZMHADRERRC-GFCCVEGCSA-N 1 2 291.420 1.923 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2scnc2CC)C1 ZINC001007467338 749870309 /nfs/dbraw/zinc/87/03/09/749870309.db2.gz VWRDZMHADRERRC-GFCCVEGCSA-N 1 2 291.420 1.923 20 30 CDEDLO Cc1nc(NCC[C@H]2CCN(C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001066318451 749881574 /nfs/dbraw/zinc/88/15/74/749881574.db2.gz ZWDBXIZVZMJASY-HNNXBMFYSA-N 1 2 298.390 1.849 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccco1)O2 ZINC001053561238 749968344 /nfs/dbraw/zinc/96/83/44/749968344.db2.gz IWBMRDDYIMUHAY-GFCCVEGCSA-N 1 2 276.336 1.429 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCc2nccs2)cc1 ZINC000161266496 749970204 /nfs/dbraw/zinc/97/02/04/749970204.db2.gz SCYIDSVNMUVAAF-UHFFFAOYSA-N 1 2 263.322 1.989 20 30 CDEDLO C#CC[C@H](CO)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000879605032 749991838 /nfs/dbraw/zinc/99/18/38/749991838.db2.gz GBXZWDFIJMVCHP-GFCCVEGCSA-N 1 2 261.325 1.513 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCc3cn[nH]c32)C1 ZINC001042725669 750041019 /nfs/dbraw/zinc/04/10/19/750041019.db2.gz YVNYNJLQQKSJAG-CQSZACIVSA-N 1 2 288.395 1.548 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCc2cccnc2)cc1OC ZINC000193574561 750165220 /nfs/dbraw/zinc/16/52/20/750165220.db2.gz NUKTVZTUGRAUFB-UHFFFAOYSA-N 1 2 287.319 1.936 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC(CC1)C2 ZINC001017663420 750169002 /nfs/dbraw/zinc/16/90/02/750169002.db2.gz FMVDOZDPROLVHM-GJUQIXGGSA-N 1 2 272.392 1.875 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC(CC1)C2 ZINC001017663420 750169012 /nfs/dbraw/zinc/16/90/12/750169012.db2.gz FMVDOZDPROLVHM-GJUQIXGGSA-N 1 2 272.392 1.875 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2occc2Cl)C1 ZINC001015657235 750205598 /nfs/dbraw/zinc/20/55/98/750205598.db2.gz MNWKZGFIFUGPCG-SECBINFHSA-N 1 2 252.701 1.370 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2occc2Cl)C1 ZINC001015657235 750205602 /nfs/dbraw/zinc/20/56/02/750205602.db2.gz MNWKZGFIFUGPCG-SECBINFHSA-N 1 2 252.701 1.370 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccc(C)o1 ZINC001032670995 750220429 /nfs/dbraw/zinc/22/04/29/750220429.db2.gz WPIKZNPHGXOQJG-KKUMJFAQSA-N 1 2 286.375 2.000 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccc(C)o1 ZINC001032670995 750220439 /nfs/dbraw/zinc/22/04/39/750220439.db2.gz WPIKZNPHGXOQJG-KKUMJFAQSA-N 1 2 286.375 2.000 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(F)F)CO2 ZINC001053717242 750267910 /nfs/dbraw/zinc/26/79/10/750267910.db2.gz IUNFMIIKUHZGRO-SNVBAGLBSA-N 1 2 274.311 1.177 20 30 CDEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C#CC(C)C ZINC000830610444 750320627 /nfs/dbraw/zinc/32/06/27/750320627.db2.gz FCMGOLQQZXDIOI-UHFFFAOYSA-N 1 2 287.363 1.825 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC001015940105 750338022 /nfs/dbraw/zinc/33/80/22/750338022.db2.gz FNPPGRBYEIGXDV-AWEZNQCLSA-N 1 2 297.362 1.462 20 30 CDEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC001015940105 750338027 /nfs/dbraw/zinc/33/80/27/750338027.db2.gz FNPPGRBYEIGXDV-AWEZNQCLSA-N 1 2 297.362 1.462 20 30 CDEDLO C#CCCOC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000859063692 750363696 /nfs/dbraw/zinc/36/36/96/750363696.db2.gz XLLLCUIBAUSTGN-CHWSQXEVSA-N 1 2 261.325 1.926 20 30 CDEDLO C[N@@H+](Cc1ccc(F)cc1C#N)C[C@@H]1COCCO1 ZINC000852496078 750399994 /nfs/dbraw/zinc/39/99/94/750399994.db2.gz PAKMEZRPCAAIDP-CQSZACIVSA-N 1 2 264.300 1.545 20 30 CDEDLO C[N@H+](Cc1ccc(F)cc1C#N)C[C@@H]1COCCO1 ZINC000852496078 750400000 /nfs/dbraw/zinc/40/00/00/750400000.db2.gz PAKMEZRPCAAIDP-CQSZACIVSA-N 1 2 264.300 1.545 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncoc1C(C)C ZINC001032717374 750403157 /nfs/dbraw/zinc/40/31/57/750403157.db2.gz DAIBFVGEXJDNST-RYUDHWBXSA-N 1 2 275.352 1.883 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncoc1C(C)C ZINC001032717374 750403185 /nfs/dbraw/zinc/40/31/85/750403185.db2.gz DAIBFVGEXJDNST-RYUDHWBXSA-N 1 2 275.352 1.883 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnc(C)cn1 ZINC001027732358 750414969 /nfs/dbraw/zinc/41/49/69/750414969.db2.gz LOKCKEWUMQWVNN-GFCCVEGCSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc(C)cn1 ZINC001027732358 750415001 /nfs/dbraw/zinc/41/50/01/750415001.db2.gz LOKCKEWUMQWVNN-GFCCVEGCSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cncn2C)C1 ZINC001046451889 750471750 /nfs/dbraw/zinc/47/17/50/750471750.db2.gz PHYIGZJFTWHRQD-ZDUSSCGKSA-N 1 2 282.775 1.367 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cncn2C)C1 ZINC001046451889 750471773 /nfs/dbraw/zinc/47/17/73/750471773.db2.gz PHYIGZJFTWHRQD-ZDUSSCGKSA-N 1 2 282.775 1.367 20 30 CDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001032040538 750558228 /nfs/dbraw/zinc/55/82/28/750558228.db2.gz IMPIZKLCOHWSBP-KBPBESRZSA-N 1 2 284.375 1.375 20 30 CDEDLO C=CCOC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000132549952 750608744 /nfs/dbraw/zinc/60/87/44/750608744.db2.gz NRQSTOIMDUTIJI-XQQFMLRXSA-N 1 2 255.358 1.849 20 30 CDEDLO C=CCOC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000132549952 750608775 /nfs/dbraw/zinc/60/87/75/750608775.db2.gz NRQSTOIMDUTIJI-XQQFMLRXSA-N 1 2 255.358 1.849 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2ccc(C)nc2)C1 ZINC001044298807 750809736 /nfs/dbraw/zinc/80/97/36/750809736.db2.gz OXPZEPVMABHZIN-UHFFFAOYSA-N 1 2 273.380 1.651 20 30 CDEDLO C=C(C)CNC(=S)NCC(C)(C)[NH+]1CCOCC1 ZINC000015348799 750812069 /nfs/dbraw/zinc/81/20/69/750812069.db2.gz PLNVEFVXTCZLKH-UHFFFAOYSA-N 1 2 271.430 1.137 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](OC)C1CCCC1 ZINC001032756452 750833092 /nfs/dbraw/zinc/83/30/92/750833092.db2.gz OZNRNRVOVPFISD-KKUMJFAQSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](OC)C1CCCC1 ZINC001032756452 750833093 /nfs/dbraw/zinc/83/30/93/750833093.db2.gz OZNRNRVOVPFISD-KKUMJFAQSA-N 1 2 276.380 1.110 20 30 CDEDLO NC(CCO)=[NH+]OCc1ccn(-c2ccc(F)cc2F)n1 ZINC000192190633 750837192 /nfs/dbraw/zinc/83/71/92/750837192.db2.gz JTSHQKYCXKUOOH-UHFFFAOYSA-N 1 2 296.277 1.322 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CN2CCc3ccccc32)C1 ZINC001044310777 750841759 /nfs/dbraw/zinc/84/17/59/750841759.db2.gz FCTNJXFKFRYKEN-UHFFFAOYSA-N 1 2 299.418 1.768 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2C[C@H](F)CC)cn1 ZINC001038931178 750843565 /nfs/dbraw/zinc/84/35/65/750843565.db2.gz HMHYLMVGKYNVLQ-UKRRQHHQSA-N 1 2 289.354 1.615 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C[C@H](F)CC)cn1 ZINC001038931178 750843566 /nfs/dbraw/zinc/84/35/66/750843566.db2.gz HMHYLMVGKYNVLQ-UKRRQHHQSA-N 1 2 289.354 1.615 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C)c1CC ZINC001032626215 750850521 /nfs/dbraw/zinc/85/05/21/750850521.db2.gz BFDSOWASAIJXOD-KBPBESRZSA-N 1 2 285.391 1.510 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C)c1CC ZINC001032626215 750850522 /nfs/dbraw/zinc/85/05/22/750850522.db2.gz BFDSOWASAIJXOD-KBPBESRZSA-N 1 2 285.391 1.510 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@](C)(C#N)CC ZINC000874708487 750851247 /nfs/dbraw/zinc/85/12/47/750851247.db2.gz NYZBPKSXYNHYNK-OCCSQVGLSA-N 1 2 267.373 1.153 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@](C)(C#N)CC ZINC000874708487 750851248 /nfs/dbraw/zinc/85/12/48/750851248.db2.gz NYZBPKSXYNHYNK-OCCSQVGLSA-N 1 2 267.373 1.153 20 30 CDEDLO CC(C)c1noc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001018633121 750852846 /nfs/dbraw/zinc/85/28/46/750852846.db2.gz UNAQWBFLOGUULD-QWRGUYRKSA-N 1 2 291.355 1.043 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036830473 750867280 /nfs/dbraw/zinc/86/72/80/750867280.db2.gz VXYBVPQGKZWRRB-UKRRQHHQSA-N 1 2 288.395 1.451 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036830473 750867282 /nfs/dbraw/zinc/86/72/82/750867282.db2.gz VXYBVPQGKZWRRB-UKRRQHHQSA-N 1 2 288.395 1.451 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccc2ccccc21 ZINC001032789618 750875253 /nfs/dbraw/zinc/87/52/53/750875253.db2.gz AEGNCYCQHYHYBV-HOTGVXAUSA-N 1 2 293.370 1.560 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccc2ccccc21 ZINC001032789618 750875254 /nfs/dbraw/zinc/87/52/54/750875254.db2.gz AEGNCYCQHYHYBV-HOTGVXAUSA-N 1 2 293.370 1.560 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cncc3[nH]ccc32)C1 ZINC001030612750 750880843 /nfs/dbraw/zinc/88/08/43/750880843.db2.gz DZPRQCVPGVULNL-UHFFFAOYSA-N 1 2 270.336 1.553 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1onc2c1CCCC2 ZINC001038505712 750885215 /nfs/dbraw/zinc/88/52/15/750885215.db2.gz NIVOKDLTQSRWSA-LBPRGKRZSA-N 1 2 287.363 1.381 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1onc2c1CCCC2 ZINC001038505712 750885216 /nfs/dbraw/zinc/88/52/16/750885216.db2.gz NIVOKDLTQSRWSA-LBPRGKRZSA-N 1 2 287.363 1.381 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)c2ccccc2C)nn1 ZINC000881415205 750897556 /nfs/dbraw/zinc/89/75/56/750897556.db2.gz RSSKILSAWXWXFN-INIZCTEOSA-N 1 2 284.363 1.433 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(C)nc2OC)C1 ZINC001044015455 750902348 /nfs/dbraw/zinc/90/23/48/750902348.db2.gz QEEWLBJLKJUYNX-UHFFFAOYSA-N 1 2 287.363 1.178 20 30 CDEDLO C=C(C)C[C@@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000882890883 750953789 /nfs/dbraw/zinc/95/37/89/750953789.db2.gz JCIGAFZANUWIBF-AWEZNQCLSA-N 1 2 285.347 1.929 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccnc2C2CC2)C1 ZINC001043224659 751002572 /nfs/dbraw/zinc/00/25/72/751002572.db2.gz BRXHVJGYXMNLLN-UHFFFAOYSA-N 1 2 283.375 1.739 20 30 CDEDLO C#C[C@H]([NH2+]Cc1ncc(C2OCCO2)s1)[C@H]1CCCO1 ZINC000809642252 751003139 /nfs/dbraw/zinc/00/31/39/751003139.db2.gz FAWDXFDMIRKCRK-WDEREUQCSA-N 1 2 294.376 1.459 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001035445383 751027452 /nfs/dbraw/zinc/02/74/52/751027452.db2.gz GKQIWJUOUVMVDA-MGPQQGTHSA-N 1 2 280.412 1.672 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001035445383 751027460 /nfs/dbraw/zinc/02/74/60/751027460.db2.gz GKQIWJUOUVMVDA-MGPQQGTHSA-N 1 2 280.412 1.672 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1ccoc1)C1CC1 ZINC000934005305 751052613 /nfs/dbraw/zinc/05/26/13/751052613.db2.gz XYTHQRBMCYQOPZ-UHFFFAOYSA-N 1 2 277.324 1.256 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccoc1)C1CC1 ZINC000934005305 751052620 /nfs/dbraw/zinc/05/26/20/751052620.db2.gz XYTHQRBMCYQOPZ-UHFFFAOYSA-N 1 2 277.324 1.256 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1onc2c1CCCC2 ZINC001038508767 751063869 /nfs/dbraw/zinc/06/38/69/751063869.db2.gz RHNVJJMAHGCEQM-LLVKDONJSA-N 1 2 275.352 1.544 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1onc2c1CCCC2 ZINC001038508767 751063877 /nfs/dbraw/zinc/06/38/77/751063877.db2.gz RHNVJJMAHGCEQM-LLVKDONJSA-N 1 2 275.352 1.544 20 30 CDEDLO C=C[C@@](C)(O)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927076436 751073978 /nfs/dbraw/zinc/07/39/78/751073978.db2.gz IQUKZIZPNFKTQJ-OAHLLOKOSA-N 1 2 275.352 1.422 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2=CCOCC2)C1 ZINC001033034444 751088895 /nfs/dbraw/zinc/08/88/95/751088895.db2.gz ASROUEZMDXMXKJ-CYBMUJFWSA-N 1 2 284.787 1.618 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2=CCOCC2)C1 ZINC001033034444 751088903 /nfs/dbraw/zinc/08/89/03/751088903.db2.gz ASROUEZMDXMXKJ-CYBMUJFWSA-N 1 2 284.787 1.618 20 30 CDEDLO C=CCCSCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000869237831 751106505 /nfs/dbraw/zinc/10/65/05/751106505.db2.gz CSBUFAKRZSGUTI-SNAWJCMRSA-N 1 2 284.425 1.300 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccnc3)C[C@@H]21 ZINC001074148298 751129518 /nfs/dbraw/zinc/12/95/18/751129518.db2.gz SNBFYBVCSZINPL-HOTGVXAUSA-N 1 2 299.374 1.020 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccnc3)C[C@@H]21 ZINC001074148298 751129529 /nfs/dbraw/zinc/12/95/29/751129529.db2.gz SNBFYBVCSZINPL-HOTGVXAUSA-N 1 2 299.374 1.020 20 30 CDEDLO C#CCCCNC(=O)NCCCNc1cccc[nH+]1 ZINC000174119302 751172579 /nfs/dbraw/zinc/17/25/79/751172579.db2.gz LHJYWUGXWSQFRR-UHFFFAOYSA-N 1 2 260.341 1.596 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]c2cccnc12 ZINC001038921866 751258602 /nfs/dbraw/zinc/25/86/02/751258602.db2.gz NGQSEOPLKSEUFE-LLVKDONJSA-N 1 2 268.320 1.000 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c2cccnc12 ZINC001038921866 751258617 /nfs/dbraw/zinc/25/86/17/751258617.db2.gz NGQSEOPLKSEUFE-LLVKDONJSA-N 1 2 268.320 1.000 20 30 CDEDLO Cc1ccc(C[NH+]2CC(NC(=O)c3c[nH]c(C#N)c3)C2)cc1 ZINC001030231253 751269458 /nfs/dbraw/zinc/26/94/58/751269458.db2.gz RFPKJSLKDGFVKN-UHFFFAOYSA-N 1 2 294.358 1.809 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncnc2sccc21 ZINC001032413585 751271351 /nfs/dbraw/zinc/27/13/51/751271351.db2.gz KRUDGQKTZRUWLP-QWRGUYRKSA-N 1 2 298.371 1.223 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncnc2sccc21 ZINC001032413585 751271354 /nfs/dbraw/zinc/27/13/54/751271354.db2.gz KRUDGQKTZRUWLP-QWRGUYRKSA-N 1 2 298.371 1.223 20 30 CDEDLO CC(C)C#CC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000829461824 751297638 /nfs/dbraw/zinc/29/76/38/751297638.db2.gz PVORKNAWIWORRY-UHFFFAOYSA-N 1 2 266.385 1.215 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC=CCC1 ZINC001017343617 751305295 /nfs/dbraw/zinc/30/52/95/751305295.db2.gz JSNZIMNFNMNEDX-KFWWJZLASA-N 1 2 258.365 1.651 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC=CCC1 ZINC001017343617 751305301 /nfs/dbraw/zinc/30/53/01/751305301.db2.gz JSNZIMNFNMNEDX-KFWWJZLASA-N 1 2 258.365 1.651 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2scnc2Cl)C1 ZINC001033666682 751308339 /nfs/dbraw/zinc/30/83/39/751308339.db2.gz DITJHRIBVKPKEL-JTQLQIEISA-N 1 2 297.811 1.966 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2scnc2Cl)C1 ZINC001033666682 751308342 /nfs/dbraw/zinc/30/83/42/751308342.db2.gz DITJHRIBVKPKEL-JTQLQIEISA-N 1 2 297.811 1.966 20 30 CDEDLO Cc1noc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC000968617520 751330828 /nfs/dbraw/zinc/33/08/28/751330828.db2.gz BJFZTXDFIXIVPB-GXFFZTMASA-N 1 2 288.351 1.043 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccn(C2CCCC2)n1 ZINC001038310947 751336183 /nfs/dbraw/zinc/33/61/83/751336183.db2.gz NTIOWDCULCBETP-AWEZNQCLSA-N 1 2 286.379 1.436 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn(C2CCCC2)n1 ZINC001038310947 751336190 /nfs/dbraw/zinc/33/61/90/751336190.db2.gz NTIOWDCULCBETP-AWEZNQCLSA-N 1 2 286.379 1.436 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001018633314 752342386 /nfs/dbraw/zinc/34/23/86/752342386.db2.gz WCZSOHFDBNZHOD-JQWIXIFHSA-N 1 2 288.351 1.402 20 30 CDEDLO C=CC[N@@H+](CC(=O)N1CCO[C@@H](C)C1)Cc1cccs1 ZINC000054116732 752352321 /nfs/dbraw/zinc/35/23/21/752352321.db2.gz HBWLZWXIIWKNMT-ZDUSSCGKSA-N 1 2 294.420 1.983 20 30 CDEDLO C=CC[N@H+](CC(=O)N1CCO[C@@H](C)C1)Cc1cccs1 ZINC000054116732 752352332 /nfs/dbraw/zinc/35/23/32/752352332.db2.gz HBWLZWXIIWKNMT-ZDUSSCGKSA-N 1 2 294.420 1.983 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C)cnc2Cl)CC1 ZINC000878423388 752384449 /nfs/dbraw/zinc/38/44/49/752384449.db2.gz GTNKPAOPTWVVHW-UHFFFAOYSA-N 1 2 291.782 1.825 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc3ccccc3nn2)C1 ZINC001043503016 752392546 /nfs/dbraw/zinc/39/25/46/752392546.db2.gz KBIFYTWRJVIGEW-UHFFFAOYSA-N 1 2 296.374 1.962 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnon2)C1 ZINC001046719078 752481156 /nfs/dbraw/zinc/48/11/56/752481156.db2.gz JLUMPPYATMWNHW-LLVKDONJSA-N 1 2 270.720 1.016 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnon2)C1 ZINC001046719078 752481193 /nfs/dbraw/zinc/48/11/93/752481193.db2.gz JLUMPPYATMWNHW-LLVKDONJSA-N 1 2 270.720 1.016 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1csc(CC)n1 ZINC001032798520 752735353 /nfs/dbraw/zinc/73/53/53/752735353.db2.gz DPDADVWLOAYMJL-STQMWFEESA-N 1 2 289.404 1.166 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1csc(CC)n1 ZINC001032798520 752735359 /nfs/dbraw/zinc/73/53/59/752735359.db2.gz DPDADVWLOAYMJL-STQMWFEESA-N 1 2 289.404 1.166 20 30 CDEDLO C#CCOc1cccc(Cl)c1C[NH2+][C@H](C)C(=O)NCC ZINC000778151473 752766853 /nfs/dbraw/zinc/76/68/53/752766853.db2.gz LWUAKEOLYJRKMT-LLVKDONJSA-N 1 2 294.782 1.966 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2csc(C)c2C)C1 ZINC001035387134 752781125 /nfs/dbraw/zinc/78/11/25/752781125.db2.gz KWTZMVYXNVFOOQ-ZDUSSCGKSA-N 1 2 294.420 1.982 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2csc(C)c2C)C1 ZINC001035387134 752781139 /nfs/dbraw/zinc/78/11/39/752781139.db2.gz KWTZMVYXNVFOOQ-ZDUSSCGKSA-N 1 2 294.420 1.982 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000778458365 752825516 /nfs/dbraw/zinc/82/55/16/752825516.db2.gz YXOTUTDEYTWMRH-QWHCGFSZSA-N 1 2 278.396 1.546 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000778458365 752825522 /nfs/dbraw/zinc/82/55/22/752825522.db2.gz YXOTUTDEYTWMRH-QWHCGFSZSA-N 1 2 278.396 1.546 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c(C)cncc2C)C1 ZINC001030674610 752826243 /nfs/dbraw/zinc/82/62/43/752826243.db2.gz HCRQEGWVDXIHAJ-UHFFFAOYSA-N 1 2 257.337 1.136 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CC(C)(C)C1)CO2 ZINC001053792048 752847188 /nfs/dbraw/zinc/84/71/88/752847188.db2.gz RXKQBSUYLDJYFX-CQSZACIVSA-N 1 2 290.407 1.405 20 30 CDEDLO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(CC)s2)C1 ZINC001047644511 752857111 /nfs/dbraw/zinc/85/71/11/752857111.db2.gz IXSQICWLDQGQMY-QWRGUYRKSA-N 1 2 295.408 1.009 20 30 CDEDLO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(CC)s2)C1 ZINC001047644511 752857112 /nfs/dbraw/zinc/85/71/12/752857112.db2.gz IXSQICWLDQGQMY-QWRGUYRKSA-N 1 2 295.408 1.009 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C/C=C\C)C1 ZINC000884447078 752915594 /nfs/dbraw/zinc/91/55/94/752915594.db2.gz KPUVQNSKKGIPOR-DWMAKUKJSA-N 1 2 294.395 1.638 20 30 CDEDLO CN(C(=O)C(F)F)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001032855167 753004102 /nfs/dbraw/zinc/00/41/02/753004102.db2.gz HEVMWJVRIFPOQK-ZDUSSCGKSA-N 1 2 293.317 1.856 20 30 CDEDLO CN(C(=O)C(F)F)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001032855167 753004107 /nfs/dbraw/zinc/00/41/07/753004107.db2.gz HEVMWJVRIFPOQK-ZDUSSCGKSA-N 1 2 293.317 1.856 20 30 CDEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)C(F)F)C1 ZINC000970924432 753020599 /nfs/dbraw/zinc/02/05/99/753020599.db2.gz PHOPLLAKNKKKCP-QMMMGPOBSA-N 1 2 297.143 1.693 20 30 CDEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)C(F)F)C1 ZINC000970924432 753020603 /nfs/dbraw/zinc/02/06/03/753020603.db2.gz PHOPLLAKNKKKCP-QMMMGPOBSA-N 1 2 297.143 1.693 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c[nH]c(=O)c3ccccc23)C1 ZINC001031051930 753063341 /nfs/dbraw/zinc/06/33/41/753063341.db2.gz XOCSWRMLMGYKRB-UHFFFAOYSA-N 1 2 295.342 1.378 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(Cl)[nH]2)C1 ZINC001030915125 753094372 /nfs/dbraw/zinc/09/43/72/753094372.db2.gz ABRVOJXWTLELDM-UHFFFAOYSA-N 1 2 251.717 1.105 20 30 CDEDLO C=CCC1(O)CC[NH+](Cn2cc3[nH]cccc-3c2=O)CC1 ZINC000884479888 753101460 /nfs/dbraw/zinc/10/14/60/753101460.db2.gz VUFAWAQFVBQURR-UHFFFAOYSA-N 1 2 287.363 1.398 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC001054032132 753153182 /nfs/dbraw/zinc/15/31/82/753153182.db2.gz RZNQOUDVJWHMBW-IRXDYDNUSA-N 1 2 298.386 1.342 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC001054032132 753153186 /nfs/dbraw/zinc/15/31/86/753153186.db2.gz RZNQOUDVJWHMBW-IRXDYDNUSA-N 1 2 298.386 1.342 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc(CCC)on1 ZINC001038861580 753173315 /nfs/dbraw/zinc/17/33/15/753173315.db2.gz WOLGQOJTLIYWDB-NSHDSACASA-N 1 2 263.341 1.617 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(CCC)on1 ZINC001038861580 753173320 /nfs/dbraw/zinc/17/33/20/753173320.db2.gz WOLGQOJTLIYWDB-NSHDSACASA-N 1 2 263.341 1.617 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2ccc(=O)[nH]c2)C1 ZINC001043368245 753179038 /nfs/dbraw/zinc/17/90/38/753179038.db2.gz MXLFBRLOQBOOFI-UHFFFAOYSA-N 1 2 275.352 1.048 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)ncn1 ZINC001027828864 753184967 /nfs/dbraw/zinc/18/49/67/753184967.db2.gz QKPHERGSMBYGEA-LBPRGKRZSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)ncn1 ZINC001027828864 753184973 /nfs/dbraw/zinc/18/49/73/753184973.db2.gz QKPHERGSMBYGEA-LBPRGKRZSA-N 1 2 294.786 1.732 20 30 CDEDLO C=CCn1cccc1C(=O)N[C@@H]1COC2(C[NH+](CC)C2)C1 ZINC001053829859 753186886 /nfs/dbraw/zinc/18/68/86/753186886.db2.gz LJNHTLMFSSHRNL-ZDUSSCGKSA-N 1 2 289.379 1.267 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3n[nH]cc3C)[C@@H]2C1 ZINC001075772917 753190768 /nfs/dbraw/zinc/19/07/68/753190768.db2.gz FARYMJDLQADAOH-NWDGAFQWSA-N 1 2 294.786 1.617 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3n[nH]cc3C)[C@@H]2C1 ZINC001075772917 753190770 /nfs/dbraw/zinc/19/07/70/753190770.db2.gz FARYMJDLQADAOH-NWDGAFQWSA-N 1 2 294.786 1.617 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cc[nH]c2)C1 ZINC001007389663 753204980 /nfs/dbraw/zinc/20/49/80/753204980.db2.gz FESHYLLTXCKHAZ-LBPRGKRZSA-N 1 2 267.760 1.961 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cc[nH]c2)C1 ZINC001007389663 753204991 /nfs/dbraw/zinc/20/49/91/753204991.db2.gz FESHYLLTXCKHAZ-LBPRGKRZSA-N 1 2 267.760 1.961 20 30 CDEDLO C=CC[N@H+](CN1C(=O)C[C@@](C)(C(C)C)C1=O)[C@@H](C)COC ZINC000853535283 753234814 /nfs/dbraw/zinc/23/48/14/753234814.db2.gz SGLPEWXNXVDTFO-BBRMVZONSA-N 1 2 296.411 1.888 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)C[C@@](C)(C(C)C)C1=O)[C@@H](C)COC ZINC000853535283 753234819 /nfs/dbraw/zinc/23/48/19/753234819.db2.gz SGLPEWXNXVDTFO-BBRMVZONSA-N 1 2 296.411 1.888 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cn(C)nn2)[C@@H]1C ZINC000993254241 753311229 /nfs/dbraw/zinc/31/12/29/753311229.db2.gz GAAGSLJJMVNACJ-QWRGUYRKSA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn(C)nn2)[C@@H]1C ZINC000993254241 753311233 /nfs/dbraw/zinc/31/12/33/753311233.db2.gz GAAGSLJJMVNACJ-QWRGUYRKSA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H](OC)C2)C1 ZINC001031791423 753365221 /nfs/dbraw/zinc/36/52/21/753365221.db2.gz IOKJOOGGHYDKOM-QWHCGFSZSA-N 1 2 286.803 1.602 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(C(C)C)c1Cl ZINC001038559201 753433200 /nfs/dbraw/zinc/43/32/00/753433200.db2.gz VWQBLYDBMHLBMX-NSHDSACASA-N 1 2 294.786 1.555 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(C(C)C)c1Cl ZINC001038559201 753433204 /nfs/dbraw/zinc/43/32/04/753433204.db2.gz VWQBLYDBMHLBMX-NSHDSACASA-N 1 2 294.786 1.555 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cnns2)[C@H]1C ZINC000993079293 753446861 /nfs/dbraw/zinc/44/68/61/753446861.db2.gz MMVYLHPYNZWRMG-MNOVXSKESA-N 1 2 278.381 1.144 20 30 CDEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cnns2)[C@H]1C ZINC000993079293 753446869 /nfs/dbraw/zinc/44/68/69/753446869.db2.gz MMVYLHPYNZWRMG-MNOVXSKESA-N 1 2 278.381 1.144 20 30 CDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccncn2)CC1 ZINC001004581059 753508277 /nfs/dbraw/zinc/50/82/77/753508277.db2.gz GQWGIMATFBTQKX-HNNXBMFYSA-N 1 2 299.378 1.317 20 30 CDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccncn2)CC1 ZINC001004581059 753508281 /nfs/dbraw/zinc/50/82/81/753508281.db2.gz GQWGIMATFBTQKX-HNNXBMFYSA-N 1 2 299.378 1.317 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1C(C)C ZINC001038441938 753553455 /nfs/dbraw/zinc/55/34/55/753553455.db2.gz GWBUQWBZMSLOQA-GFCCVEGCSA-N 1 2 274.368 1.361 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1C(C)C ZINC001038441938 753553465 /nfs/dbraw/zinc/55/34/65/753553465.db2.gz GWBUQWBZMSLOQA-GFCCVEGCSA-N 1 2 274.368 1.361 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2nnn(C(C)C)c2C)C1 ZINC001044109005 753565567 /nfs/dbraw/zinc/56/55/67/753565567.db2.gz WLZFPGAQQGJIBZ-UHFFFAOYSA-N 1 2 291.399 1.500 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001007749828 753594258 /nfs/dbraw/zinc/59/42/58/753594258.db2.gz AAHYIYGBTQGEEX-LBPRGKRZSA-N 1 2 288.395 1.669 20 30 CDEDLO C=CC[N@H+]1CCC[C@H](NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001007749828 753594267 /nfs/dbraw/zinc/59/42/67/753594267.db2.gz AAHYIYGBTQGEEX-LBPRGKRZSA-N 1 2 288.395 1.669 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2sc(CCC)nc2C)C1 ZINC001016241219 753599076 /nfs/dbraw/zinc/59/90/76/753599076.db2.gz YVOBEEROTPAXJN-LBPRGKRZSA-N 1 2 291.420 1.841 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2sc(CCC)nc2C)C1 ZINC001016241219 753599091 /nfs/dbraw/zinc/59/90/91/753599091.db2.gz YVOBEEROTPAXJN-LBPRGKRZSA-N 1 2 291.420 1.841 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2csc3cncn32)C1 ZINC001043994704 753631316 /nfs/dbraw/zinc/63/13/16/753631316.db2.gz QCYCNFHSNZUDKR-UHFFFAOYSA-N 1 2 290.392 1.728 20 30 CDEDLO C=CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCc3cn[nH]c32)C1 ZINC001046319404 753704028 /nfs/dbraw/zinc/70/40/28/753704028.db2.gz RINUQVJZHUPWKO-BBRMVZONSA-N 1 2 288.395 1.596 20 30 CDEDLO C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCc3cn[nH]c32)C1 ZINC001046319404 753704042 /nfs/dbraw/zinc/70/40/42/753704042.db2.gz RINUQVJZHUPWKO-BBRMVZONSA-N 1 2 288.395 1.596 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(F)(F)F)ccn1 ZINC001038872776 753710029 /nfs/dbraw/zinc/71/00/29/753710029.db2.gz WHBCIDXRBAEHTD-LLVKDONJSA-N 1 2 297.280 1.538 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(F)(F)F)ccn1 ZINC001038872776 753710037 /nfs/dbraw/zinc/71/00/37/753710037.db2.gz WHBCIDXRBAEHTD-LLVKDONJSA-N 1 2 297.280 1.538 20 30 CDEDLO Cc1noc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC000968617521 753711488 /nfs/dbraw/zinc/71/14/88/753711488.db2.gz BJFZTXDFIXIVPB-ZWNOBZJWSA-N 1 2 288.351 1.043 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2cc(F)c(F)cc2F)C1 ZINC001031010496 753718974 /nfs/dbraw/zinc/71/89/74/753718974.db2.gz HPHXEPDDKJOVBN-UHFFFAOYSA-N 1 2 296.292 1.470 20 30 CDEDLO C=CC[N@H+](Cc1cn(C[C@@H]2CCCO2)nn1)C1CC1 ZINC000877329640 753737323 /nfs/dbraw/zinc/73/73/23/753737323.db2.gz TYCFAMHQUJTFSZ-AWEZNQCLSA-N 1 2 262.357 1.608 20 30 CDEDLO C=CC[N@@H+](Cc1cn(C[C@@H]2CCCO2)nn1)C1CC1 ZINC000877329640 753737329 /nfs/dbraw/zinc/73/73/29/753737329.db2.gz TYCFAMHQUJTFSZ-AWEZNQCLSA-N 1 2 262.357 1.608 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cnn(C)c2)C1 ZINC001033746064 753784766 /nfs/dbraw/zinc/78/47/66/753784766.db2.gz ZLCFGIAEORVINS-CYBMUJFWSA-N 1 2 296.802 1.709 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnn(C)c2)C1 ZINC001033746064 753784774 /nfs/dbraw/zinc/78/47/74/753784774.db2.gz ZLCFGIAEORVINS-CYBMUJFWSA-N 1 2 296.802 1.709 20 30 CDEDLO CCc1noc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)n1 ZINC000158237711 753817589 /nfs/dbraw/zinc/81/75/89/753817589.db2.gz VLMKFFYOTCMNLV-UHFFFAOYSA-N 1 2 288.307 1.404 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccnc(OC3CCC3)c2)C1 ZINC001031162753 753830612 /nfs/dbraw/zinc/83/06/12/753830612.db2.gz GJGCHHOSPWNDKT-UHFFFAOYSA-N 1 2 299.374 1.450 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncoc1C(C)(C)C ZINC001038897326 753832044 /nfs/dbraw/zinc/83/20/44/753832044.db2.gz QRSFBXBEWGDRTI-LBPRGKRZSA-N 1 2 289.379 1.800 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ncoc1C(C)(C)C ZINC001038897326 753832046 /nfs/dbraw/zinc/83/20/46/753832046.db2.gz QRSFBXBEWGDRTI-LBPRGKRZSA-N 1 2 289.379 1.800 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc(CCC)s2)C1 ZINC000923572879 753838493 /nfs/dbraw/zinc/83/84/93/753838493.db2.gz HFQQMRBFASXPJC-LBPRGKRZSA-N 1 2 291.420 1.923 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc(CCC)s2)C1 ZINC000923572879 753838498 /nfs/dbraw/zinc/83/84/98/753838498.db2.gz HFQQMRBFASXPJC-LBPRGKRZSA-N 1 2 291.420 1.923 20 30 CDEDLO C#CC[C@H]([NH2+][C@H](C)CCOCC(C)C)C(=O)OC ZINC001172465822 911720855 /nfs/dbraw/zinc/72/08/55/911720855.db2.gz YHDFEUNTJVNEAW-OLZOCXBDSA-N 1 2 255.358 1.592 20 30 CDEDLO COC(=O)[C@H](CS)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173586259 912633912 /nfs/dbraw/zinc/63/39/12/912633912.db2.gz MIJYIMCFVSCSDS-YZRBJQDESA-N 1 2 256.371 1.520 20 30 CDEDLO C#Cc1cc(Nc2ccc(S(C)(=O)=O)cc2)cc[nH+]1 ZINC001173941514 912910692 /nfs/dbraw/zinc/91/06/92/912910692.db2.gz JGPZTZMYYOOORV-UHFFFAOYSA-N 1 2 272.329 1.632 20 30 CDEDLO Cc1nc(NCC[C@@H](C)NC(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001106275482 913772657 /nfs/dbraw/zinc/77/26/57/913772657.db2.gz AIBZBQQBANYSOK-SNVBAGLBSA-N 1 2 298.350 1.605 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CC12CC2 ZINC001266417603 894774243 /nfs/dbraw/zinc/77/42/43/894774243.db2.gz DTDVEKGPJFBTGE-LLVKDONJSA-N 1 2 256.777 1.977 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CC12CC2 ZINC001266417603 894774253 /nfs/dbraw/zinc/77/42/53/894774253.db2.gz DTDVEKGPJFBTGE-LLVKDONJSA-N 1 2 256.777 1.977 20 30 CDEDLO COc1cc[nH+]cc1-n1nc(SC)c(C#N)c1N ZINC001176118356 913968134 /nfs/dbraw/zinc/96/81/34/913968134.db2.gz JDSFFWWFJJSPIO-UHFFFAOYSA-N 1 2 261.310 1.452 20 30 CDEDLO CC1(C)CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)N(CC#N)C1 ZINC001099244497 914143902 /nfs/dbraw/zinc/14/39/02/914143902.db2.gz AJPRJAGVHIZRNW-ZDUSSCGKSA-N 1 2 289.383 1.083 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CC1(O)CCC1 ZINC001480974082 898417322 /nfs/dbraw/zinc/41/73/22/898417322.db2.gz RJXXPOJRVXIWLC-UHFFFAOYSA-N 1 2 274.792 1.482 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CC1(O)CCC1 ZINC001480974082 898417326 /nfs/dbraw/zinc/41/73/26/898417326.db2.gz RJXXPOJRVXIWLC-UHFFFAOYSA-N 1 2 274.792 1.482 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ncccc1OC ZINC001481014049 898494777 /nfs/dbraw/zinc/49/47/77/898494777.db2.gz XRFBUDYSKTYTSV-UHFFFAOYSA-N 1 2 297.786 1.894 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ncccc1OC ZINC001481014049 898494781 /nfs/dbraw/zinc/49/47/81/898494781.db2.gz XRFBUDYSKTYTSV-UHFFFAOYSA-N 1 2 297.786 1.894 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCSC)C[C@H]21 ZINC001176906651 914385070 /nfs/dbraw/zinc/38/50/70/914385070.db2.gz LCEOKLOIIDDVGG-ZIAGYGMSSA-N 1 2 296.436 1.065 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCSC)C[C@H]21 ZINC001176906651 914385091 /nfs/dbraw/zinc/38/50/91/914385091.db2.gz LCEOKLOIIDDVGG-ZIAGYGMSSA-N 1 2 296.436 1.065 20 30 CDEDLO C#CCCCCC(=O)NCC[NH2+]Cc1ncc(CC)o1 ZINC001125967276 900285470 /nfs/dbraw/zinc/28/54/70/900285470.db2.gz OZDZQQOMIRQLOL-UHFFFAOYSA-N 1 2 277.368 1.636 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cn[nH]n2)C1 ZINC001481401468 900563142 /nfs/dbraw/zinc/56/31/42/900563142.db2.gz NXWVPYNVJRMSJS-LLVKDONJSA-N 1 2 297.790 1.484 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cn[nH]n2)C1 ZINC001481401468 900563146 /nfs/dbraw/zinc/56/31/46/900563146.db2.gz NXWVPYNVJRMSJS-LLVKDONJSA-N 1 2 297.790 1.484 20 30 CDEDLO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1scnc1COC ZINC001038784074 900809489 /nfs/dbraw/zinc/80/94/89/900809489.db2.gz RHAMBAUALYDMAS-LLVKDONJSA-N 1 2 293.392 1.117 20 30 CDEDLO C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1scnc1COC ZINC001038784074 900809495 /nfs/dbraw/zinc/80/94/95/900809495.db2.gz RHAMBAUALYDMAS-LLVKDONJSA-N 1 2 293.392 1.117 20 30 CDEDLO C=CCO[C@H](C)C(=O)NCCC[NH2+][C@H](C)c1noc(C)n1 ZINC001177273020 914581816 /nfs/dbraw/zinc/58/18/16/914581816.db2.gz FJELUJXCAGYXBT-GHMZBOCLSA-N 1 2 296.371 1.126 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCCC#N)C1 ZINC000426431890 902569256 /nfs/dbraw/zinc/56/92/56/902569256.db2.gz VGMLDRHYGJHGED-LLVKDONJSA-N 1 2 261.329 1.223 20 30 CDEDLO Cc1nc(N(C)CCN(C)C(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001105369738 902573183 /nfs/dbraw/zinc/57/31/83/902573183.db2.gz GNVHKVJBQLOUFJ-UHFFFAOYSA-N 1 2 298.350 1.193 20 30 CDEDLO Cc1nc(N(C)CCN(C)C(=O)[C@@H](C)C#N)c(C)c(C)[nH+]1 ZINC001105372117 902704907 /nfs/dbraw/zinc/70/49/07/902704907.db2.gz UCMMOBZDKGIWHR-JTQLQIEISA-N 1 2 289.383 1.456 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2ccc(Cl)cc2C#N)C1 ZINC001227205323 906121880 /nfs/dbraw/zinc/12/18/80/906121880.db2.gz HHNQVGIVAPGLNL-LBPRGKRZSA-N 1 2 266.728 1.921 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2ccc(Cl)cc2C#N)C1 ZINC001227205323 906121885 /nfs/dbraw/zinc/12/18/85/906121885.db2.gz HHNQVGIVAPGLNL-LBPRGKRZSA-N 1 2 266.728 1.921 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@](C)(F)CCCC)[C@H](OC)C1 ZINC001212489404 921281378 /nfs/dbraw/zinc/28/13/78/921281378.db2.gz NXJCIFIWYINUCH-UMVBOHGHSA-N 1 2 284.375 1.353 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@](C)(F)CCCC)[C@H](OC)C1 ZINC001212489404 921281381 /nfs/dbraw/zinc/28/13/81/921281381.db2.gz NXJCIFIWYINUCH-UMVBOHGHSA-N 1 2 284.375 1.353 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2coc(CCC)n2)CC1 ZINC000989474862 908903060 /nfs/dbraw/zinc/90/30/60/908903060.db2.gz NANDCPFMIJUOHZ-UHFFFAOYSA-N 1 2 275.352 1.408 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2coc(CCC)n2)CC1 ZINC000989474862 908903073 /nfs/dbraw/zinc/90/30/73/908903073.db2.gz NANDCPFMIJUOHZ-UHFFFAOYSA-N 1 2 275.352 1.408 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2nc(Cl)cs2)[C@H]1C ZINC001088817298 909616098 /nfs/dbraw/zinc/61/60/98/909616098.db2.gz KGLHBLVTGWVETG-BDAKNGLRSA-N 1 2 283.784 1.622 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2nc(Cl)cs2)[C@H]1C ZINC001088817298 909616102 /nfs/dbraw/zinc/61/61/02/909616102.db2.gz KGLHBLVTGWVETG-BDAKNGLRSA-N 1 2 283.784 1.622 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C(C)(C)F)CC2)C1 ZINC001093497534 909832787 /nfs/dbraw/zinc/83/27/87/909832787.db2.gz HEXJNYSPWWZDSX-UHFFFAOYSA-N 1 2 284.375 1.612 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC001093504391 909925387 /nfs/dbraw/zinc/92/53/87/909925387.db2.gz OFJKKQCEOYTADB-HNNXBMFYSA-N 1 2 294.395 1.043 20 30 CDEDLO C#CCCCC(=O)N(C)C1CC(Nc2cc[nH+]c(C)n2)C1 ZINC001126941124 909978262 /nfs/dbraw/zinc/97/82/62/909978262.db2.gz SXXWNDQWPJCOLU-UHFFFAOYSA-N 1 2 286.379 1.990 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cn(C)cn2)C1 ZINC001033009574 921554128 /nfs/dbraw/zinc/55/41/28/921554128.db2.gz MIAHMTUVCLAIEI-NSHDSACASA-N 1 2 282.775 1.319 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cn(C)cn2)C1 ZINC001033009574 921554145 /nfs/dbraw/zinc/55/41/45/921554145.db2.gz MIAHMTUVCLAIEI-NSHDSACASA-N 1 2 282.775 1.319 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cn(CCC)nn1 ZINC001483405442 911066119 /nfs/dbraw/zinc/06/61/19/911066119.db2.gz YIMGJTVLNFEDIQ-LLVKDONJSA-N 1 2 299.806 1.491 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cn(CCC)nn1 ZINC001483405442 911066127 /nfs/dbraw/zinc/06/61/27/911066127.db2.gz YIMGJTVLNFEDIQ-LLVKDONJSA-N 1 2 299.806 1.491 20 30 CDEDLO O=C(C#Cc1cccnc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001177777183 914891397 /nfs/dbraw/zinc/89/13/97/914891397.db2.gz MZXPEQRPFATFPR-UHFFFAOYSA-N 1 2 280.331 1.562 20 30 CDEDLO O=C(C#Cc1cccnc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001177777183 914891411 /nfs/dbraw/zinc/89/14/11/914891411.db2.gz MZXPEQRPFATFPR-UHFFFAOYSA-N 1 2 280.331 1.562 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOC)C2 ZINC001110220339 915431816 /nfs/dbraw/zinc/43/18/16/915431816.db2.gz XENSBOCAYKGJPX-UTUOFQBUSA-N 1 2 272.776 1.497 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOC)C2 ZINC001110220339 915431823 /nfs/dbraw/zinc/43/18/23/915431823.db2.gz XENSBOCAYKGJPX-UTUOFQBUSA-N 1 2 272.776 1.497 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)c(C#N)c1 ZINC001137706237 936393867 /nfs/dbraw/zinc/39/38/67/936393867.db2.gz SPTYGJGZCUHURF-CQSZACIVSA-N 1 2 273.336 1.277 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@@H](NC(C)=O)C2)c(C#N)c1 ZINC001137706237 936393871 /nfs/dbraw/zinc/39/38/71/936393871.db2.gz SPTYGJGZCUHURF-CQSZACIVSA-N 1 2 273.336 1.277 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nnc(C)o2)C1 ZINC001181535615 917136346 /nfs/dbraw/zinc/13/63/46/917136346.db2.gz YJWQNIHEQBOLIF-ZYHUDNBSSA-N 1 2 278.356 1.596 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](CC)SC)CCO2 ZINC001053224935 936410205 /nfs/dbraw/zinc/41/02/05/936410205.db2.gz CREXVYYHAAFSFT-CYBMUJFWSA-N 1 2 298.452 1.617 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1c(C)noc1C ZINC000072514611 917769644 /nfs/dbraw/zinc/76/96/44/917769644.db2.gz VXZWBEOQOREGKY-JTQLQIEISA-N 1 2 251.330 1.414 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1c(C)noc1C ZINC000072514611 917769654 /nfs/dbraw/zinc/76/96/54/917769654.db2.gz VXZWBEOQOREGKY-JTQLQIEISA-N 1 2 251.330 1.414 20 30 CDEDLO C=CCCC(=O)NC/C=C\CNc1cc[nH+]c(C)n1 ZINC001107076792 917980462 /nfs/dbraw/zinc/98/04/62/917980462.db2.gz HTMRXZLVQNDXJH-WAYWQWQTSA-N 1 2 260.341 1.836 20 30 CDEDLO C#CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001182635309 917993912 /nfs/dbraw/zinc/99/39/12/917993912.db2.gz DMHGIJHACOVETI-LBPRGKRZSA-N 1 2 284.350 1.978 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC001182791321 918128306 /nfs/dbraw/zinc/12/83/06/918128306.db2.gz HQPODIFAYIEYJG-AWEZNQCLSA-N 1 2 283.375 1.992 20 30 CDEDLO C#CCN1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC001138157277 936481678 /nfs/dbraw/zinc/48/16/78/936481678.db2.gz AEFKYMATWZFNQD-UHFFFAOYSA-N 1 2 286.404 1.889 20 30 CDEDLO CC(C)[N@@H+]1CC[C@H]1C(=O)Nc1ccc(C#N)cc1O ZINC001182851891 918198134 /nfs/dbraw/zinc/19/81/34/918198134.db2.gz METBCMGXUCLKCI-LBPRGKRZSA-N 1 2 259.309 1.685 20 30 CDEDLO CC(C)[N@H+]1CC[C@H]1C(=O)Nc1ccc(C#N)cc1O ZINC001182851891 918198140 /nfs/dbraw/zinc/19/81/40/918198140.db2.gz METBCMGXUCLKCI-LBPRGKRZSA-N 1 2 259.309 1.685 20 30 CDEDLO N#Cc1ccc(NC/C=C\CNC(=O)Cc2c[nH]c[nH+]2)nc1 ZINC001107539577 918438550 /nfs/dbraw/zinc/43/85/50/918438550.db2.gz PEYKMYZEYGLBJU-UPHRSURJSA-N 1 2 296.334 1.003 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@H]2O)CC1 ZINC001077625195 918461512 /nfs/dbraw/zinc/46/15/12/918461512.db2.gz UYXCVCVSJNFSMU-YNYHRGKYSA-N 1 2 298.814 1.647 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@H]2O)CC1 ZINC001077625195 918461520 /nfs/dbraw/zinc/46/15/20/918461520.db2.gz UYXCVCVSJNFSMU-YNYHRGKYSA-N 1 2 298.814 1.647 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(C)oc2C)C1 ZINC001107731550 918712025 /nfs/dbraw/zinc/71/20/25/918712025.db2.gz PQROZVFMBWONQT-INIZCTEOSA-N 1 2 292.379 1.903 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(C)oc2C)C1 ZINC001107731550 918712042 /nfs/dbraw/zinc/71/20/42/918712042.db2.gz PQROZVFMBWONQT-INIZCTEOSA-N 1 2 292.379 1.903 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CSC(C)C)C1 ZINC001107751870 918731557 /nfs/dbraw/zinc/73/15/57/918731557.db2.gz LIWAYFMBZYKKQX-HNNXBMFYSA-N 1 2 298.452 1.358 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CSC(C)C)C1 ZINC001107751870 918731569 /nfs/dbraw/zinc/73/15/69/918731569.db2.gz LIWAYFMBZYKKQX-HNNXBMFYSA-N 1 2 298.452 1.358 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C(CC)CC)C1 ZINC001107755931 918740655 /nfs/dbraw/zinc/74/06/55/918740655.db2.gz PCBLZXYCFNHOJI-OAHLLOKOSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C(CC)CC)C1 ZINC001107755931 918740667 /nfs/dbraw/zinc/74/06/67/918740667.db2.gz PCBLZXYCFNHOJI-OAHLLOKOSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2CCCO2)CC1 ZINC001000417928 936530538 /nfs/dbraw/zinc/53/05/38/936530538.db2.gz GOEYKKNHNAXPRO-CYBMUJFWSA-N 1 2 284.787 1.666 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCCO2)CC1 ZINC001000417928 936530540 /nfs/dbraw/zinc/53/05/40/936530540.db2.gz GOEYKKNHNAXPRO-CYBMUJFWSA-N 1 2 284.787 1.666 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)COCCCC)C1 ZINC001107828216 918842885 /nfs/dbraw/zinc/84/28/85/918842885.db2.gz HOHOXWYJTGQWRR-MRXNPFEDSA-N 1 2 296.411 1.034 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)COCCCC)C1 ZINC001107828216 918842894 /nfs/dbraw/zinc/84/28/94/918842894.db2.gz HOHOXWYJTGQWRR-MRXNPFEDSA-N 1 2 296.411 1.034 20 30 CDEDLO C#CCCCC(=O)NC[C@]1(C)C[N@H+](CC=C)CCO1 ZINC001107901697 919025804 /nfs/dbraw/zinc/02/58/04/919025804.db2.gz WEEFIPSEWUIYKN-OAHLLOKOSA-N 1 2 264.369 1.183 20 30 CDEDLO C#CCCCC(=O)NC[C@]1(C)C[N@@H+](CC=C)CCO1 ZINC001107901697 919025820 /nfs/dbraw/zinc/02/58/20/919025820.db2.gz WEEFIPSEWUIYKN-OAHLLOKOSA-N 1 2 264.369 1.183 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)c(C)c1 ZINC001032593847 919458511 /nfs/dbraw/zinc/45/85/11/919458511.db2.gz XXQBCBOSUREDRO-KBPBESRZSA-N 1 2 272.323 1.666 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)c(C)c1 ZINC001032593847 919458524 /nfs/dbraw/zinc/45/85/24/919458524.db2.gz XXQBCBOSUREDRO-KBPBESRZSA-N 1 2 272.323 1.666 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@H](O)c2ccccc2)CC1 ZINC001185796578 919758853 /nfs/dbraw/zinc/75/88/53/919758853.db2.gz SEHVTDYAPQDERE-HNNXBMFYSA-N 1 2 274.364 1.440 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2nccn2CC)C1=O ZINC001272827173 919849148 /nfs/dbraw/zinc/84/91/48/919849148.db2.gz PEVYMZPLVQTNMC-MRXNPFEDSA-N 1 2 288.395 1.656 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2nccn2CC)C1=O ZINC001272827173 919849162 /nfs/dbraw/zinc/84/91/62/919849162.db2.gz PEVYMZPLVQTNMC-MRXNPFEDSA-N 1 2 288.395 1.656 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCC(C)(F)F)C1 ZINC001108031974 920131112 /nfs/dbraw/zinc/13/11/12/920131112.db2.gz KYFNSEOJMMONDQ-ZDUSSCGKSA-N 1 2 290.354 1.815 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCC(C)(F)F)C1 ZINC001108031974 920131125 /nfs/dbraw/zinc/13/11/25/920131125.db2.gz KYFNSEOJMMONDQ-ZDUSSCGKSA-N 1 2 290.354 1.815 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(F)=C(C)C)C[C@H]21 ZINC001074211898 936734771 /nfs/dbraw/zinc/73/47/71/936734771.db2.gz HAOPUURSZIHTPR-ZIAGYGMSSA-N 1 2 294.370 1.575 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(F)=C(C)C)C[C@H]21 ZINC001074211898 936734773 /nfs/dbraw/zinc/73/47/73/936734773.db2.gz HAOPUURSZIHTPR-ZIAGYGMSSA-N 1 2 294.370 1.575 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)CC)C[C@H]21 ZINC001074323719 936736070 /nfs/dbraw/zinc/73/60/70/936736070.db2.gz FNWAQFIXSMPOKZ-HUUCEWRRSA-N 1 2 292.423 1.748 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)CC)C[C@H]21 ZINC001074323719 936736071 /nfs/dbraw/zinc/73/60/71/936736071.db2.gz FNWAQFIXSMPOKZ-HUUCEWRRSA-N 1 2 292.423 1.748 20 30 CDEDLO C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)Nc1ncccc1C#N ZINC001098344877 936749220 /nfs/dbraw/zinc/74/92/20/936749220.db2.gz XRLLMEGXKHYWPS-NSHDSACASA-N 1 2 298.350 1.226 20 30 CDEDLO C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)Nc1ncccc1C#N ZINC001098344877 936749222 /nfs/dbraw/zinc/74/92/22/936749222.db2.gz XRLLMEGXKHYWPS-NSHDSACASA-N 1 2 298.350 1.226 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001108146185 922770011 /nfs/dbraw/zinc/77/00/11/922770011.db2.gz RDKIBGSIDWMUDG-WMLDXEAASA-N 1 2 292.423 1.653 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001108146185 922770022 /nfs/dbraw/zinc/77/00/22/922770022.db2.gz RDKIBGSIDWMUDG-WMLDXEAASA-N 1 2 292.423 1.653 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001108148365 922780983 /nfs/dbraw/zinc/78/09/83/922780983.db2.gz KLJLNUGQOWKPLK-CJNGLKHVSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001108148365 922780993 /nfs/dbraw/zinc/78/09/93/922780993.db2.gz KLJLNUGQOWKPLK-CJNGLKHVSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1cocn1)CC2 ZINC001141128770 936815676 /nfs/dbraw/zinc/81/56/76/936815676.db2.gz YERBSYQFUPNSBM-UHFFFAOYSA-N 1 2 275.352 1.818 20 30 CDEDLO C=CCOC(=O)N1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141161852 936823205 /nfs/dbraw/zinc/82/32/05/936823205.db2.gz GHYYLXMRFSDBFF-UHFFFAOYSA-N 1 2 292.335 1.538 20 30 CDEDLO CC#CC[N@H+](C)[C@H]1CCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC001192998383 923376568 /nfs/dbraw/zinc/37/65/68/923376568.db2.gz JMZIXMRGCWZARD-ZDUSSCGKSA-N 1 2 296.374 1.733 20 30 CDEDLO CC#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC001192998383 923376607 /nfs/dbraw/zinc/37/66/07/923376607.db2.gz JMZIXMRGCWZARD-ZDUSSCGKSA-N 1 2 296.374 1.733 20 30 CDEDLO O=C(C#CC1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000837308254 936837413 /nfs/dbraw/zinc/83/74/13/936837413.db2.gz GDHMFQLZUSWYQE-UHFFFAOYSA-N 1 2 255.321 1.144 20 30 CDEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@H+](CC#CC)CCO1 ZINC001108171656 923543611 /nfs/dbraw/zinc/54/36/11/923543611.db2.gz NUNIQONXYPNQOS-INIZCTEOSA-N 1 2 278.396 1.573 20 30 CDEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001108171656 923543623 /nfs/dbraw/zinc/54/36/23/923543623.db2.gz NUNIQONXYPNQOS-INIZCTEOSA-N 1 2 278.396 1.573 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)CC(C)(C)C)CC1 ZINC001194863414 924372137 /nfs/dbraw/zinc/37/21/37/924372137.db2.gz LQPNJPOHWXQLQK-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)CC(C)(C)C)CC1 ZINC001194863414 924372146 /nfs/dbraw/zinc/37/21/46/924372146.db2.gz LQPNJPOHWXQLQK-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C3CCC3)CCC2)[C@H](OC)C1 ZINC001081995730 924836192 /nfs/dbraw/zinc/83/61/92/924836192.db2.gz ZWMIVPIZPWUHFZ-HUUCEWRRSA-N 1 2 290.407 1.405 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C3CCC3)CCC2)[C@H](OC)C1 ZINC001081995730 924836202 /nfs/dbraw/zinc/83/62/02/924836202.db2.gz ZWMIVPIZPWUHFZ-HUUCEWRRSA-N 1 2 290.407 1.405 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@]23C[C@@H]2CCCC3)[C@H](OC)C1 ZINC001082114629 924866458 /nfs/dbraw/zinc/86/64/58/924866458.db2.gz OTJJCZLNDVPNJU-NHIYQJMISA-N 1 2 276.380 1.015 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@]23C[C@@H]2CCCC3)[C@H](OC)C1 ZINC001082114629 924866466 /nfs/dbraw/zinc/86/64/66/924866466.db2.gz OTJJCZLNDVPNJU-NHIYQJMISA-N 1 2 276.380 1.015 20 30 CDEDLO C=CCCC1(C(=O)N2CCC[N@@H+]([C@@H](C)C(N)=O)CC2)CC1 ZINC001197062284 925044799 /nfs/dbraw/zinc/04/47/99/925044799.db2.gz ONKYVFMIBPJTOP-ZDUSSCGKSA-N 1 2 293.411 1.141 20 30 CDEDLO C=CCCC1(C(=O)N2CCC[N@H+]([C@@H](C)C(N)=O)CC2)CC1 ZINC001197062284 925044803 /nfs/dbraw/zinc/04/48/03/925044803.db2.gz ONKYVFMIBPJTOP-ZDUSSCGKSA-N 1 2 293.411 1.141 20 30 CDEDLO N#Cc1cccc(NC(=S)N2CCn3c[nH+]cc3C2)c1 ZINC001197697497 925200824 /nfs/dbraw/zinc/20/08/24/925200824.db2.gz JXYXBZHHCHFQQL-UHFFFAOYSA-N 1 2 283.360 1.967 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)CC)c1nccn12 ZINC001101609113 936993933 /nfs/dbraw/zinc/99/39/33/936993933.db2.gz UFFQKLGQLVIOSK-CHWSQXEVSA-N 1 2 288.395 1.687 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3[nH]cnc3C)[C@@H]2C1 ZINC001084872012 925469754 /nfs/dbraw/zinc/46/97/54/925469754.db2.gz QPBQWNZAMJNEFO-VXGBXAGGSA-N 1 2 294.786 1.617 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3[nH]cnc3C)[C@@H]2C1 ZINC001084872012 925469760 /nfs/dbraw/zinc/46/97/60/925469760.db2.gz QPBQWNZAMJNEFO-VXGBXAGGSA-N 1 2 294.786 1.617 20 30 CDEDLO C=CC[C@@H]1NC(=O)N(Cc2ccn3cc[nH+]c3c2)C1=O ZINC001119697752 925474838 /nfs/dbraw/zinc/47/48/38/925474838.db2.gz YKGJPFVWRBACNF-NSHDSACASA-N 1 2 270.292 1.331 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1(O)CCC1)C2 ZINC001110537710 925767141 /nfs/dbraw/zinc/76/71/41/925767141.db2.gz VUIUQNXUMRHBEY-UPJWGTAASA-N 1 2 298.814 1.766 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1(O)CCC1)C2 ZINC001110537710 925767143 /nfs/dbraw/zinc/76/71/43/925767143.db2.gz VUIUQNXUMRHBEY-UPJWGTAASA-N 1 2 298.814 1.766 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001142633124 937043146 /nfs/dbraw/zinc/04/31/46/937043146.db2.gz SBTBLCSWIWXRJO-AWEZNQCLSA-N 1 2 285.347 1.990 20 30 CDEDLO Cc1nc(N2CC[C@H](CCNC(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001102301580 937051662 /nfs/dbraw/zinc/05/16/62/937051662.db2.gz FZHOKHLSILVXDJ-YPMHNXCESA-N 1 2 287.367 1.277 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc(F)c1 ZINC001085511954 926095924 /nfs/dbraw/zinc/09/59/24/926095924.db2.gz HTKXOCLGVWZDCF-CYBMUJFWSA-N 1 2 275.327 1.390 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc(F)c1 ZINC001085511954 926095929 /nfs/dbraw/zinc/09/59/29/926095929.db2.gz HTKXOCLGVWZDCF-CYBMUJFWSA-N 1 2 275.327 1.390 20 30 CDEDLO CN(C[C@H]1CC[N@@H+]1CCF)C(=O)c1ccc(C#N)[nH]1 ZINC001085553304 926138813 /nfs/dbraw/zinc/13/88/13/926138813.db2.gz DKKQIZKHFUVOBK-LLVKDONJSA-N 1 2 264.304 1.002 20 30 CDEDLO CN(C[C@H]1CC[N@H+]1CCF)C(=O)c1ccc(C#N)[nH]1 ZINC001085553304 926138820 /nfs/dbraw/zinc/13/88/20/926138820.db2.gz DKKQIZKHFUVOBK-LLVKDONJSA-N 1 2 264.304 1.002 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(F)c1C ZINC001085608446 926214944 /nfs/dbraw/zinc/21/49/44/926214944.db2.gz RFZVOMQCICSHFS-CYBMUJFWSA-N 1 2 274.339 1.914 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(F)c1C ZINC001085608446 926214957 /nfs/dbraw/zinc/21/49/57/926214957.db2.gz RFZVOMQCICSHFS-CYBMUJFWSA-N 1 2 274.339 1.914 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(Cl)cnn1CC ZINC001085617616 926218111 /nfs/dbraw/zinc/21/81/11/926218111.db2.gz RZEAIEWIUQPEJP-LLVKDONJSA-N 1 2 294.786 1.336 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(Cl)cnn1CC ZINC001085617616 926218118 /nfs/dbraw/zinc/21/81/18/926218118.db2.gz RZEAIEWIUQPEJP-LLVKDONJSA-N 1 2 294.786 1.336 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc2c1COCC2 ZINC001085637863 926244134 /nfs/dbraw/zinc/24/41/34/926244134.db2.gz BKGZPJKBYLIALC-HNNXBMFYSA-N 1 2 298.386 1.539 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc2c1COCC2 ZINC001085637863 926244142 /nfs/dbraw/zinc/24/41/42/926244142.db2.gz BKGZPJKBYLIALC-HNNXBMFYSA-N 1 2 298.386 1.539 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001085645106 926246333 /nfs/dbraw/zinc/24/63/33/926246333.db2.gz JDHCHNCSICVNDJ-NSHDSACASA-N 1 2 298.346 1.048 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001085645106 926246344 /nfs/dbraw/zinc/24/63/44/926246344.db2.gz JDHCHNCSICVNDJ-NSHDSACASA-N 1 2 298.346 1.048 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccsn1 ZINC001085666600 926265189 /nfs/dbraw/zinc/26/51/89/926265189.db2.gz KRVAZMFQFQZBTK-LLVKDONJSA-N 1 2 263.366 1.313 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccsn1 ZINC001085666600 926265198 /nfs/dbraw/zinc/26/51/98/926265198.db2.gz KRVAZMFQFQZBTK-LLVKDONJSA-N 1 2 263.366 1.313 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)onc1C1CC1 ZINC001085727922 926330264 /nfs/dbraw/zinc/33/02/64/926330264.db2.gz LHNVQBJJIOCGAP-ZDUSSCGKSA-N 1 2 287.363 1.640 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)onc1C1CC1 ZINC001085727922 926330272 /nfs/dbraw/zinc/33/02/72/926330272.db2.gz LHNVQBJJIOCGAP-ZDUSSCGKSA-N 1 2 287.363 1.640 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1OCCc2ccccc21 ZINC001085756225 926364948 /nfs/dbraw/zinc/36/49/48/926364948.db2.gz CPYGVRBLANBNTO-WBVHZDCISA-N 1 2 298.386 1.466 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1OCCc2ccccc21 ZINC001085756225 926364956 /nfs/dbraw/zinc/36/49/56/926364956.db2.gz CPYGVRBLANBNTO-WBVHZDCISA-N 1 2 298.386 1.466 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001490553992 927224427 /nfs/dbraw/zinc/22/44/27/927224427.db2.gz CXPKNLNVVJNWRI-CYBMUJFWSA-N 1 2 288.395 1.688 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2cnc(C)cn2)C1 ZINC001490553992 927224435 /nfs/dbraw/zinc/22/44/35/927224435.db2.gz CXPKNLNVVJNWRI-CYBMUJFWSA-N 1 2 288.395 1.688 20 30 CDEDLO C=CCO[C@H](C)C(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001153097791 927471832 /nfs/dbraw/zinc/47/18/32/927471832.db2.gz VILXBCXSRAWJOT-GFCCVEGCSA-N 1 2 281.356 1.088 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Nc2nc(C)cc(Cl)c2C#N)C[NH2+]1 ZINC001169128943 927743822 /nfs/dbraw/zinc/74/38/22/927743822.db2.gz HSYHNHRWQWKGFL-KCJUWKMLSA-N 1 2 294.742 1.231 20 30 CDEDLO C#C[C@H](CC)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000854068653 928147521 /nfs/dbraw/zinc/14/75/21/928147521.db2.gz DBUDBAJAPUBWSG-NWDGAFQWSA-N 1 2 260.341 1.711 20 30 CDEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CC(C)(C)C)CC2=O)C1 ZINC001108506302 928177076 /nfs/dbraw/zinc/17/70/76/928177076.db2.gz OTVUVAXYFPDXRP-LBPRGKRZSA-N 1 2 293.411 1.010 20 30 CDEDLO C=CCOC[C@@H](O)CNc1[nH+]cccc1OCC ZINC001252454440 928421633 /nfs/dbraw/zinc/42/16/33/928421633.db2.gz OMZPIZUDFWZSCY-NSHDSACASA-N 1 2 252.314 1.456 20 30 CDEDLO C=CC[C@H](Nc1ccc(Cn2cc[nH+]c2)cn1)C(=O)OC ZINC001169836974 928459415 /nfs/dbraw/zinc/45/94/15/928459415.db2.gz SZZRIHMVPARCPU-ZDUSSCGKSA-N 1 2 286.335 1.856 20 30 CDEDLO C=CC[C@@H](Nc1cn2cc[nH+]c2cc1OC)C(=O)OC ZINC001169843757 928463355 /nfs/dbraw/zinc/46/33/55/928463355.db2.gz APLSSVWSMDJXFZ-SNVBAGLBSA-N 1 2 275.308 1.873 20 30 CDEDLO COC(=O)n1ncc(C#N)c1Nc1ccc2[nH]c[nH+]c2c1 ZINC001169968804 928541018 /nfs/dbraw/zinc/54/10/18/928541018.db2.gz IKWITNFFHPMMGN-UHFFFAOYSA-N 1 2 282.263 1.989 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001109193101 928830952 /nfs/dbraw/zinc/83/09/52/928830952.db2.gz AAEVYJGWESZUMH-NSHDSACASA-N 1 2 276.384 1.938 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001109266187 928864328 /nfs/dbraw/zinc/86/43/28/928864328.db2.gz OWQPMFFFUSVHRD-CRWXNKLISA-N 1 2 296.798 1.499 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001109266187 928864339 /nfs/dbraw/zinc/86/43/39/928864339.db2.gz OWQPMFFFUSVHRD-CRWXNKLISA-N 1 2 296.798 1.499 20 30 CDEDLO N#Cc1nc(Cl)c(NCc2cc[nH+]c(N)c2)nc1C#N ZINC001156757619 928959495 /nfs/dbraw/zinc/95/94/95/928959495.db2.gz ZEUPWMMLJKMSBM-UHFFFAOYSA-N 1 2 285.698 1.463 20 30 CDEDLO CN(C)c1cc(F)c(C=[NH+]N[C@H]2CCOC2)cc1F ZINC000863110176 929505443 /nfs/dbraw/zinc/50/54/43/929505443.db2.gz KPMHVBWVNBLFBK-JTQLQIEISA-N 1 2 269.295 1.743 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](OCC)C2CC2)CC1 ZINC001112861037 929508389 /nfs/dbraw/zinc/50/83/89/929508389.db2.gz KFCRTZSGSHRABX-OAHLLOKOSA-N 1 2 296.411 1.148 20 30 CDEDLO Cc1nc(NC[C@H](C2CC2)N(C)C(=O)C#CC2CC2)cc[nH+]1 ZINC001115512104 937387819 /nfs/dbraw/zinc/38/78/19/937387819.db2.gz XKYAWWREWOEAKP-OAHLLOKOSA-N 1 2 298.390 1.847 20 30 CDEDLO C#Cc1ccc(NC(=O)[C@H]2C[N@H+](C)CCO2)c(Cl)c1 ZINC000885673283 930744833 /nfs/dbraw/zinc/74/48/33/930744833.db2.gz HCJBAFBVOMETAF-CYBMUJFWSA-N 1 2 278.739 1.590 20 30 CDEDLO C#Cc1ccc(NC(=O)[C@H]2C[N@@H+](C)CCO2)c(Cl)c1 ZINC000885673283 930744838 /nfs/dbraw/zinc/74/48/38/930744838.db2.gz HCJBAFBVOMETAF-CYBMUJFWSA-N 1 2 278.739 1.590 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2nc3ccccc3n2C)CC1 ZINC001153633663 937458109 /nfs/dbraw/zinc/45/81/09/937458109.db2.gz CGDFWIBMFZRPJR-UHFFFAOYSA-N 1 2 284.363 1.517 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000821478256 931058449 /nfs/dbraw/zinc/05/84/49/931058449.db2.gz AGKPPAHTHJLMHS-YPMHNXCESA-N 1 2 257.293 1.636 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC001090697648 931327982 /nfs/dbraw/zinc/32/79/82/931327982.db2.gz OAEWYTIMILFCIW-TZMCWYRMSA-N 1 2 286.379 1.529 20 30 CDEDLO Cc1ccn2c(C[NH+]3CCN(CCC#N)CC3)cnc2c1 ZINC001136888638 931457451 /nfs/dbraw/zinc/45/74/51/931457451.db2.gz BQPDLPVFPVYHGE-UHFFFAOYSA-N 1 2 283.379 1.674 20 30 CDEDLO O=C(CCS)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001143986733 931609348 /nfs/dbraw/zinc/60/93/48/931609348.db2.gz YANPQLUHJHASLO-JTQLQIEISA-N 1 2 278.368 1.638 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@]2(C)C[C@@H]3C=C[C@H]2C3)CC1 ZINC001144281726 931734393 /nfs/dbraw/zinc/73/43/93/931734393.db2.gz RMVFFCRSXUHURD-YCPHGPKFSA-N 1 2 260.381 1.919 20 30 CDEDLO CC[C@H](C(=O)N(C)C[C@H](C)C#N)[N@@H+]1CCO[C@H](CC)C1 ZINC001411667131 931949433 /nfs/dbraw/zinc/94/94/33/931949433.db2.gz SSBKJIUOTUETQK-MGPQQGTHSA-N 1 2 281.400 1.494 20 30 CDEDLO CC[C@H](C(=O)N(C)C[C@H](C)C#N)[N@H+]1CCO[C@H](CC)C1 ZINC001411667131 931949438 /nfs/dbraw/zinc/94/94/38/931949438.db2.gz SSBKJIUOTUETQK-MGPQQGTHSA-N 1 2 281.400 1.494 20 30 CDEDLO CC[C@H](C(=O)N(C)C[C@@H](C)C#N)[N@@H+]1CCO[C@H](CC)C1 ZINC001411667099 931949490 /nfs/dbraw/zinc/94/94/90/931949490.db2.gz SSBKJIUOTUETQK-BFHYXJOUSA-N 1 2 281.400 1.494 20 30 CDEDLO CC[C@H](C(=O)N(C)C[C@@H](C)C#N)[N@H+]1CCO[C@H](CC)C1 ZINC001411667099 931949497 /nfs/dbraw/zinc/94/94/97/931949497.db2.gz SSBKJIUOTUETQK-BFHYXJOUSA-N 1 2 281.400 1.494 20 30 CDEDLO Cc1ccc(C(=NO)NC(=O)c2cccc3[nH+]ccn32)nc1 ZINC001154526629 937553768 /nfs/dbraw/zinc/55/37/68/937553768.db2.gz XGWKQQSBXXUJSI-UHFFFAOYSA-N 1 2 295.302 1.604 20 30 CDEDLO N#Cc1ccc(CCNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001147172851 932441529 /nfs/dbraw/zinc/44/15/29/932441529.db2.gz YQPUASFMSCEHHY-UHFFFAOYSA-N 1 2 254.293 1.183 20 30 CDEDLO C[C@H](C#N)c1cccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC001148623988 932763827 /nfs/dbraw/zinc/76/38/27/932763827.db2.gz JXJZVEJIDQPYOD-DOMZBBRYSA-N 1 2 287.363 1.374 20 30 CDEDLO C[C@H](C#N)c1cccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC001148623988 932763832 /nfs/dbraw/zinc/76/38/32/932763832.db2.gz JXJZVEJIDQPYOD-DOMZBBRYSA-N 1 2 287.363 1.374 20 30 CDEDLO COC[C@@H]1COCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000933333604 933811067 /nfs/dbraw/zinc/81/10/67/933811067.db2.gz BKDWYURKXRFFOG-CQSZACIVSA-N 1 2 276.336 1.284 20 30 CDEDLO COC[C@@H]1COCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000933333604 933811070 /nfs/dbraw/zinc/81/10/70/933811070.db2.gz BKDWYURKXRFFOG-CQSZACIVSA-N 1 2 276.336 1.284 20 30 CDEDLO Cc1ccc(C#N)cc1C(=O)NCCc1c[nH+]cn1C ZINC000935331511 934062549 /nfs/dbraw/zinc/06/25/49/934062549.db2.gz PAJNRMOVNQKVKS-UHFFFAOYSA-N 1 2 268.320 1.573 20 30 CDEDLO N#Cc1cc(Nc2ccc[nH+]c2N2CCOCC2)ccn1 ZINC001206589489 934388221 /nfs/dbraw/zinc/38/82/21/934388221.db2.gz HJGULNOADWHZAW-UHFFFAOYSA-N 1 2 281.319 1.350 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H](C)CCSC ZINC001258199563 934580625 /nfs/dbraw/zinc/58/06/25/934580625.db2.gz HRUHFVCDFBQCSZ-IUCAKERBSA-N 1 2 251.417 1.579 20 30 CDEDLO C#CCOc1ccc(C[NH2+]Cc2ncnn2C)cc1 ZINC000080547728 934704823 /nfs/dbraw/zinc/70/48/23/934704823.db2.gz ICSXRDGBIVFQJR-UHFFFAOYSA-N 1 2 256.309 1.117 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001114791721 934966689 /nfs/dbraw/zinc/96/66/89/934966689.db2.gz JMZGFHVMZVVRBV-NHIYQJMISA-N 1 2 289.379 1.823 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001114791721 934966694 /nfs/dbraw/zinc/96/66/94/934966694.db2.gz JMZGFHVMZVVRBV-NHIYQJMISA-N 1 2 289.379 1.823 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)c2cncnc2)C1 ZINC001015606895 935576353 /nfs/dbraw/zinc/57/63/53/935576353.db2.gz GJFDJCBQDKDQEZ-YPMHNXCESA-N 1 2 294.786 1.523 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2cncnc2)C1 ZINC001015606895 935576355 /nfs/dbraw/zinc/57/63/55/935576355.db2.gz GJFDJCBQDKDQEZ-YPMHNXCESA-N 1 2 294.786 1.523 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(C)c1 ZINC001017444631 935639404 /nfs/dbraw/zinc/63/94/04/935639404.db2.gz VUGSTZUSHWTJNG-IYBDPMFKSA-N 1 2 283.375 1.702 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(C)c1 ZINC001017444631 935639406 /nfs/dbraw/zinc/63/94/06/935639406.db2.gz VUGSTZUSHWTJNG-IYBDPMFKSA-N 1 2 283.375 1.702 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]1OC ZINC001017675803 935646653 /nfs/dbraw/zinc/64/66/53/935646653.db2.gz KWPRDAGHXSHWBW-QXSJWSMHSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]1OC ZINC001017675803 935646656 /nfs/dbraw/zinc/64/66/56/935646656.db2.gz KWPRDAGHXSHWBW-QXSJWSMHSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1cncnc1 ZINC001017844025 935651500 /nfs/dbraw/zinc/65/15/00/935651500.db2.gz KKLHWRPIMOMUCP-BMFZPTHFSA-N 1 2 298.390 1.279 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1cncnc1 ZINC001017844025 935651501 /nfs/dbraw/zinc/65/15/01/935651501.db2.gz KKLHWRPIMOMUCP-BMFZPTHFSA-N 1 2 298.390 1.279 20 30 CDEDLO Cc1ncncc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC001238170686 945115411 /nfs/dbraw/zinc/11/54/11/945115411.db2.gz PPIAIFKSERHWMF-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccn2)[nH]1 ZINC001038167414 935736363 /nfs/dbraw/zinc/73/63/63/935736363.db2.gz GLTOMQWNBPBAKF-AWEZNQCLSA-N 1 2 295.346 1.286 20 30 CDEDLO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccn2)[nH]1 ZINC001038167414 935736366 /nfs/dbraw/zinc/73/63/66/935736366.db2.gz GLTOMQWNBPBAKF-AWEZNQCLSA-N 1 2 295.346 1.286 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1C1CC1 ZINC001038875435 935761028 /nfs/dbraw/zinc/76/10/28/935761028.db2.gz BFHMGHPWMAQDQU-GFCCVEGCSA-N 1 2 272.352 1.115 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1C1CC1 ZINC001038875435 935761030 /nfs/dbraw/zinc/76/10/30/935761030.db2.gz BFHMGHPWMAQDQU-GFCCVEGCSA-N 1 2 272.352 1.115 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(F)C(F)(F)F ZINC001039377929 935773811 /nfs/dbraw/zinc/77/38/11/935773811.db2.gz YGHWZXLMNLURBG-VWYCJHECSA-N 1 2 292.276 1.585 20 30 CDEDLO C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(F)C(F)(F)F ZINC001039377929 935773814 /nfs/dbraw/zinc/77/38/14/935773814.db2.gz YGHWZXLMNLURBG-VWYCJHECSA-N 1 2 292.276 1.585 20 30 CDEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](CCOC)C2)C1 ZINC001043797677 935844367 /nfs/dbraw/zinc/84/43/67/935844367.db2.gz ZWHXGDSPYWVPRU-UHFFFAOYSA-N 1 2 252.358 1.132 20 30 CDEDLO CN1CCC2(C[NH+](Cc3ccc(Cl)c(C#N)c3)C2)C1=O ZINC001238195791 945128639 /nfs/dbraw/zinc/12/86/39/945128639.db2.gz LOFVPFYHWAJQHZ-UHFFFAOYSA-N 1 2 289.766 1.876 20 30 CDEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(C)c2C)C1 ZINC001047394784 936001979 /nfs/dbraw/zinc/00/19/79/936001979.db2.gz TUOYXMIOGQWYFE-KBPBESRZSA-N 1 2 292.404 1.115 20 30 CDEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(C)c2C)C1 ZINC001047394784 936001982 /nfs/dbraw/zinc/00/19/82/936001982.db2.gz TUOYXMIOGQWYFE-KBPBESRZSA-N 1 2 292.404 1.115 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]13C[C@H]1COC3)C2 ZINC001097108316 936269218 /nfs/dbraw/zinc/26/92/18/936269218.db2.gz SOURVUNQHWSXSC-PFFFPCNUSA-N 1 2 296.798 1.497 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]13C[C@H]1COC3)C2 ZINC001097108316 936269222 /nfs/dbraw/zinc/26/92/22/936269222.db2.gz SOURVUNQHWSXSC-PFFFPCNUSA-N 1 2 296.798 1.497 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CCCC#N)n2CC=C)CC1 ZINC001121623251 937878385 /nfs/dbraw/zinc/87/83/85/937878385.db2.gz KPIJFKWBYGUPAF-UHFFFAOYSA-N 1 2 298.394 1.066 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1ncnc2[nH]c3cc(F)ccc3c21 ZINC001156332918 938352857 /nfs/dbraw/zinc/35/28/57/938352857.db2.gz RBDTZENPMSOQQT-JTQLQIEISA-N 1 2 296.309 1.552 20 30 CDEDLO Cc1c[nH]c(CCNC(=O)c2[nH]nc3cc(C#N)ccc32)[nH+]1 ZINC001156889636 938429355 /nfs/dbraw/zinc/42/93/55/938429355.db2.gz YXXYRPQZGAFGPI-UHFFFAOYSA-N 1 2 294.318 1.439 20 30 CDEDLO Cc1cc(C#N)cc(N[C@@H]2CCC[N@@H+](C3COC3)C2)n1 ZINC001157587724 938515667 /nfs/dbraw/zinc/51/56/67/938515667.db2.gz ZFZLDDYGKHHIDU-CYBMUJFWSA-N 1 2 272.352 1.537 20 30 CDEDLO Cc1cc(C#N)cc(N[C@@H]2CCC[N@H+](C3COC3)C2)n1 ZINC001157587724 938515669 /nfs/dbraw/zinc/51/56/69/938515669.db2.gz ZFZLDDYGKHHIDU-CYBMUJFWSA-N 1 2 272.352 1.537 20 30 CDEDLO N#CCCCCNc1ccc(Cn2cncn2)c[nH+]1 ZINC001157641777 938525009 /nfs/dbraw/zinc/52/50/09/938525009.db2.gz GGHWEUPQPLDEKR-UHFFFAOYSA-N 1 2 256.313 1.827 20 30 CDEDLO N#Cc1cc(Cl)cnc1NCC1([NH+]2CCCC2)COC1 ZINC001157656433 938527942 /nfs/dbraw/zinc/52/79/42/938527942.db2.gz XBOVYWXTHQVRIZ-UHFFFAOYSA-N 1 2 292.770 1.883 20 30 CDEDLO N#Cc1ccccc1C[NH+]1CC2(C[C@H]2C(=O)N2CC=CC2)C1 ZINC001278239713 945200786 /nfs/dbraw/zinc/20/07/86/945200786.db2.gz WKTRGGDAVNCNIH-INIZCTEOSA-N 1 2 293.370 1.779 20 30 CDEDLO CCc1cc(C[NH+]2CC(N3CC(F)C3)C2)ccc1C#N ZINC001238767673 945243892 /nfs/dbraw/zinc/24/38/92/945243892.db2.gz XUUGEABYAYPEDW-UHFFFAOYSA-N 1 2 273.355 1.959 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(C#N)c(CC)c2)CC1 ZINC001238778710 945247535 /nfs/dbraw/zinc/24/75/35/945247535.db2.gz QEEFDUSRFNWINR-UHFFFAOYSA-N 1 2 267.376 1.871 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1cnc(Cl)c(F)c1 ZINC001164640506 939501022 /nfs/dbraw/zinc/50/10/22/939501022.db2.gz BEHWTOMHDMAHDB-MRVPVSSYSA-N 1 2 290.676 1.721 20 30 CDEDLO C[C@@H]1CCCN(c2cc(N3CC[NH2+]C[C@H]3C#N)ncn2)C1 ZINC001164662545 939502828 /nfs/dbraw/zinc/50/28/28/939502828.db2.gz ZVGWPUTYFGRMBL-CHWSQXEVSA-N 1 2 286.383 1.015 20 30 CDEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccco2)CC1 ZINC001203284023 939681911 /nfs/dbraw/zinc/68/19/11/939681911.db2.gz QCVXJZIGAYQMRP-UHFFFAOYSA-N 1 2 262.309 1.948 20 30 CDEDLO C=CCn1cc(C[N@H+]2CC[C@](N)(C(F)(F)F)C2)cn1 ZINC001206229835 940001893 /nfs/dbraw/zinc/00/18/93/940001893.db2.gz SFLITDFRNFBDJM-LLVKDONJSA-N 1 2 274.290 1.535 20 30 CDEDLO C=CCn1cc(C[N@@H+]2CC[C@](N)(C(F)(F)F)C2)cn1 ZINC001206229835 940001898 /nfs/dbraw/zinc/00/18/98/940001898.db2.gz SFLITDFRNFBDJM-LLVKDONJSA-N 1 2 274.290 1.535 20 30 CDEDLO C#CCCCN1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001209263460 940454101 /nfs/dbraw/zinc/45/41/01/940454101.db2.gz LMJVEKRXCAYBQQ-UHFFFAOYSA-N 1 2 272.396 1.708 20 30 CDEDLO C=CCCCCC[N@@H+]1CCNC(=O)[C@H]1CC(=O)OCC ZINC001209427557 940589180 /nfs/dbraw/zinc/58/91/80/940589180.db2.gz SOIGOYJCUUXTLN-CYBMUJFWSA-N 1 2 282.384 1.486 20 30 CDEDLO C=CCCCCC[N@H+]1CCNC(=O)[C@H]1CC(=O)OCC ZINC001209427557 940589182 /nfs/dbraw/zinc/58/91/82/940589182.db2.gz SOIGOYJCUUXTLN-CYBMUJFWSA-N 1 2 282.384 1.486 20 30 CDEDLO N#Cc1cncc(Nc2ccccc2C[NH+]2CCOCC2)n1 ZINC001209924530 940651496 /nfs/dbraw/zinc/65/14/96/940651496.db2.gz AFNKEBOEYVWROJ-UHFFFAOYSA-N 1 2 295.346 1.924 20 30 CDEDLO COC(=O)[C@H]([NH3+])COC(C#CC(C)(C)C)C#CC(C)(C)C ZINC001217897150 941026796 /nfs/dbraw/zinc/02/67/96/941026796.db2.gz VZLVHWSSEHQAJV-CQSZACIVSA-N 1 2 293.407 1.971 20 30 CDEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O)c1ccccc1 ZINC001221048191 941494390 /nfs/dbraw/zinc/49/43/90/941494390.db2.gz IPOWKZAYQQPJMG-KFWWJZLASA-N 1 2 292.354 1.087 20 30 CDEDLO C=C[C@@H](C(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O)c1ccccc1 ZINC001221048191 941494391 /nfs/dbraw/zinc/49/43/91/941494391.db2.gz IPOWKZAYQQPJMG-KFWWJZLASA-N 1 2 292.354 1.087 20 30 CDEDLO C=CC[NH+]1CCC(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001223258357 941665105 /nfs/dbraw/zinc/66/51/05/941665105.db2.gz HPFBKLKTRBQGDL-JTQLQIEISA-N 1 2 282.281 1.901 20 30 CDEDLO C=CC[NH+]1CCC(CNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001223258357 941665113 /nfs/dbraw/zinc/66/51/13/941665113.db2.gz HPFBKLKTRBQGDL-JTQLQIEISA-N 1 2 282.281 1.901 20 30 CDEDLO Cc1ccc(C#N)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)n1 ZINC001225865814 941921344 /nfs/dbraw/zinc/92/13/44/941921344.db2.gz MGSVNXVCLAJQKP-KLLCGCCRSA-N 1 2 271.320 1.253 20 30 CDEDLO Cc1ccc(C#N)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)n1 ZINC001225865814 941921348 /nfs/dbraw/zinc/92/13/48/941921348.db2.gz MGSVNXVCLAJQKP-KLLCGCCRSA-N 1 2 271.320 1.253 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccnc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226185795 941963997 /nfs/dbraw/zinc/96/39/97/941963997.db2.gz BONXHUQCZJTYHV-ADAFDVPTSA-N 1 2 250.273 1.212 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccnc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226185795 941963999 /nfs/dbraw/zinc/96/39/99/941963999.db2.gz BONXHUQCZJTYHV-ADAFDVPTSA-N 1 2 250.273 1.212 20 30 CDEDLO COC(=O)c1cc(C#N)ccc1OC[C@H]1C[N@H+](C)CCO1 ZINC001226304619 941982407 /nfs/dbraw/zinc/98/24/07/941982407.db2.gz CTXBWDYMRYWXMH-GFCCVEGCSA-N 1 2 290.319 1.054 20 30 CDEDLO COC(=O)c1cc(C#N)ccc1OC[C@H]1C[N@@H+](C)CCO1 ZINC001226304619 941982409 /nfs/dbraw/zinc/98/24/09/941982409.db2.gz CTXBWDYMRYWXMH-GFCCVEGCSA-N 1 2 290.319 1.054 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nncc4ccccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226392556 941996129 /nfs/dbraw/zinc/99/61/29/941996129.db2.gz LMEZSJLJUQLJHY-GAAPNJIFSA-N 1 2 283.331 1.621 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nncc4ccccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226392556 941996130 /nfs/dbraw/zinc/99/61/30/941996130.db2.gz LMEZSJLJUQLJHY-GAAPNJIFSA-N 1 2 283.331 1.621 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncnc4ccccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226469707 942011256 /nfs/dbraw/zinc/01/12/56/942011256.db2.gz DXVLHJAHDNLSQJ-BSRWDCPYSA-N 1 2 283.331 1.621 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncnc4ccccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226469707 942011258 /nfs/dbraw/zinc/01/12/58/942011258.db2.gz DXVLHJAHDNLSQJ-BSRWDCPYSA-N 1 2 283.331 1.621 20 30 CDEDLO C[C@H](C#N)C(=O)NC1CC[NH+]([C@H](C)c2ncccn2)CC1 ZINC001226639896 942039704 /nfs/dbraw/zinc/03/97/04/942039704.db2.gz ILIALPLQYKHLNI-VXGBXAGGSA-N 1 2 287.367 1.278 20 30 CDEDLO COc1cc(C)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cn1 ZINC001228677935 942355508 /nfs/dbraw/zinc/35/55/08/942355508.db2.gz VRWAMFMGDGVICY-RBRDRRMGSA-N 1 2 276.336 1.390 20 30 CDEDLO COc1cc(C)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cn1 ZINC001228677935 942355510 /nfs/dbraw/zinc/35/55/10/942355510.db2.gz VRWAMFMGDGVICY-RBRDRRMGSA-N 1 2 276.336 1.390 20 30 CDEDLO COc1ccc(F)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001228791424 942377653 /nfs/dbraw/zinc/37/76/53/942377653.db2.gz QXWCDKAIPIDJCM-HJTUNCCVSA-N 1 2 279.311 1.826 20 30 CDEDLO COc1ccc(F)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001228791424 942377654 /nfs/dbraw/zinc/37/76/54/942377654.db2.gz QXWCDKAIPIDJCM-HJTUNCCVSA-N 1 2 279.311 1.826 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Oc1ccc(C#N)cc1C#N ZINC001229036829 942410457 /nfs/dbraw/zinc/41/04/57/942410457.db2.gz WVHULDNEQZTBHP-GFCCVEGCSA-N 1 2 271.320 1.529 20 30 CDEDLO C=CCO[C@@H](C)C(=O)NC1CC[NH+](Cc2ccon2)CC1 ZINC001230407187 942618490 /nfs/dbraw/zinc/61/84/90/942618490.db2.gz JVCUTNLRPDSJET-LBPRGKRZSA-N 1 2 293.367 1.346 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C/CC ZINC001230987970 942750211 /nfs/dbraw/zinc/75/02/11/942750211.db2.gz CIGSSUBUETZFIT-WTWVRAIASA-N 1 2 293.411 1.178 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C/CC ZINC001230987970 942750214 /nfs/dbraw/zinc/75/02/14/942750214.db2.gz CIGSSUBUETZFIT-WTWVRAIASA-N 1 2 293.411 1.178 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c[nH]c3cccnc23)CC1 ZINC001231491112 942908709 /nfs/dbraw/zinc/90/87/09/942908709.db2.gz FOYPIDIWOQREMK-UHFFFAOYSA-N 1 2 254.337 1.314 20 30 CDEDLO C=CCOc1cccc(C[NH+]2CC(N(C)C(C)=O)C2)c1 ZINC001231625603 942947690 /nfs/dbraw/zinc/94/76/90/942947690.db2.gz XDCFIGZQZIWMGI-UHFFFAOYSA-N 1 2 274.364 1.914 20 30 CDEDLO C#Cc1cccc(C[NH+]2CCC(S(C)(=O)=O)CC2)c1 ZINC001231659739 942965050 /nfs/dbraw/zinc/96/50/50/942965050.db2.gz TYSJOBGEAMNPFZ-UHFFFAOYSA-N 1 2 277.389 1.677 20 30 CDEDLO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)n1 ZINC001231671357 942972216 /nfs/dbraw/zinc/97/22/16/942972216.db2.gz TUXFLNIOEXXXHB-ZDUSSCGKSA-N 1 2 276.361 1.870 20 30 CDEDLO Cc1ccc(O)c(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)n1 ZINC001231671357 942972218 /nfs/dbraw/zinc/97/22/18/942972218.db2.gz TUXFLNIOEXXXHB-ZDUSSCGKSA-N 1 2 276.361 1.870 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)c1 ZINC001232675990 943356264 /nfs/dbraw/zinc/35/62/64/943356264.db2.gz XLPOVIKGELNTKG-DUVNUKRYSA-N 1 2 288.347 1.236 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)c1 ZINC001232675990 943356269 /nfs/dbraw/zinc/35/62/69/943356269.db2.gz XLPOVIKGELNTKG-DUVNUKRYSA-N 1 2 288.347 1.236 20 30 CDEDLO CC1(C(N)=O)CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232680225 943362426 /nfs/dbraw/zinc/36/24/26/943362426.db2.gz ZOLQAZJGXGWPBA-UHFFFAOYSA-N 1 2 273.336 1.351 20 30 CDEDLO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC001232926823 943436596 /nfs/dbraw/zinc/43/65/96/943436596.db2.gz DRAUDWSIAYUGCQ-ZDUSSCGKSA-N 1 2 258.325 1.054 20 30 CDEDLO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(C#N)n1 ZINC001232926823 943436599 /nfs/dbraw/zinc/43/65/99/943436599.db2.gz DRAUDWSIAYUGCQ-ZDUSSCGKSA-N 1 2 258.325 1.054 20 30 CDEDLO CN(C)C(=O)[C@H]1CC12CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001233045095 943473300 /nfs/dbraw/zinc/47/33/00/943473300.db2.gz SGZJYSZKSCHKMU-CYBMUJFWSA-N 1 2 286.379 1.577 20 30 CDEDLO CC(=O)N1CCC[C@H]([N@H+](C)Cc2[nH]ccc2C#N)C1 ZINC001233048816 943475665 /nfs/dbraw/zinc/47/56/65/943475665.db2.gz NIUXAMIZHSYLRM-ZDUSSCGKSA-N 1 2 260.341 1.329 20 30 CDEDLO CC(=O)N1CCC[C@H]([N@@H+](C)Cc2[nH]ccc2C#N)C1 ZINC001233048816 943475667 /nfs/dbraw/zinc/47/56/67/943475667.db2.gz NIUXAMIZHSYLRM-ZDUSSCGKSA-N 1 2 260.341 1.329 20 30 CDEDLO C#C[C@H](C)N(C)c1nnc(Cc2[nH+]ccn2C)n1CC ZINC001263013301 943722705 /nfs/dbraw/zinc/72/27/05/943722705.db2.gz PSQJHOFPGWYDEF-NSHDSACASA-N 1 2 272.356 1.080 20 30 CDEDLO CC[NH+]1CC(Oc2[nH]c(=O)nc3ccc(C#N)cc32)C1 ZINC001234515071 943875279 /nfs/dbraw/zinc/87/52/79/943875279.db2.gz CMMXMBHMRFKYFI-UHFFFAOYSA-N 1 2 270.292 1.290 20 30 CDEDLO Cn1cc(C[N@@H+]2CCC23CN(CCC#N)C3)cc1C#N ZINC001277938919 944131455 /nfs/dbraw/zinc/13/14/55/944131455.db2.gz IGCSJFOCGXQTGB-UHFFFAOYSA-N 1 2 269.352 1.071 20 30 CDEDLO Cn1cc(C[N@H+]2CCC23CN(CCC#N)C3)cc1C#N ZINC001277938919 944131459 /nfs/dbraw/zinc/13/14/59/944131459.db2.gz IGCSJFOCGXQTGB-UHFFFAOYSA-N 1 2 269.352 1.071 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1cn(CC)nn1 ZINC001235451462 944160290 /nfs/dbraw/zinc/16/02/90/944160290.db2.gz JDZFNWOSGAOWKH-UHFFFAOYSA-N 1 2 279.388 1.202 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1cn(CC)nn1 ZINC001235451462 944160294 /nfs/dbraw/zinc/16/02/94/944160294.db2.gz JDZFNWOSGAOWKH-UHFFFAOYSA-N 1 2 279.388 1.202 20 30 CDEDLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235652393 944234642 /nfs/dbraw/zinc/23/46/42/944234642.db2.gz WLGGHXKVKMEFRY-PSASIEDQSA-N 1 2 252.264 1.792 20 30 CDEDLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235652393 944234656 /nfs/dbraw/zinc/23/46/56/944234656.db2.gz WLGGHXKVKMEFRY-PSASIEDQSA-N 1 2 252.264 1.792 20 30 CDEDLO C#CC[NH+]1CCN(Cc2nc3cc(F)ccc3[nH]2)CC1 ZINC001235695590 944250874 /nfs/dbraw/zinc/25/08/74/944250874.db2.gz PZDUKRHCXIWWTO-UHFFFAOYSA-N 1 2 272.327 1.453 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnc(OC)c(Cl)c2)CC1 ZINC001235706435 944257415 /nfs/dbraw/zinc/25/74/15/944257415.db2.gz HABZWGKXMCUNAD-UHFFFAOYSA-N 1 2 279.771 1.494 20 30 CDEDLO COc1cc(O)c(C[N@H+](C)CCC#N)cc1OC ZINC001236749489 944556648 /nfs/dbraw/zinc/55/66/48/944556648.db2.gz GDFGSDIRCUZDBC-UHFFFAOYSA-N 1 2 250.298 1.755 20 30 CDEDLO COc1cc(O)c(C[N@@H+](C)CCC#N)cc1OC ZINC001236749489 944556650 /nfs/dbraw/zinc/55/66/50/944556650.db2.gz GDFGSDIRCUZDBC-UHFFFAOYSA-N 1 2 250.298 1.755 20 30 CDEDLO COC(=O)[C@H]1CC[N@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237524540 944825260 /nfs/dbraw/zinc/82/52/60/944825260.db2.gz JTRVNEAXOIPLRJ-VIFPVBQESA-N 1 2 280.274 1.831 20 30 CDEDLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237524540 944825261 /nfs/dbraw/zinc/82/52/61/944825261.db2.gz JTRVNEAXOIPLRJ-VIFPVBQESA-N 1 2 280.274 1.831 20 30 CDEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCOC[C@@H](O)C2)c1 ZINC001237745176 944942728 /nfs/dbraw/zinc/94/27/28/944942728.db2.gz CSCGAELNUUKURR-ZDUSSCGKSA-N 1 2 266.728 1.405 20 30 CDEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCOC[C@@H](O)C2)c1 ZINC001237745176 944942734 /nfs/dbraw/zinc/94/27/34/944942734.db2.gz CSCGAELNUUKURR-ZDUSSCGKSA-N 1 2 266.728 1.405 20 30 CDEDLO CN(C)C(=O)[C@@H]1CC12C[NH+](Cc1ccc(C#N)cc1F)C2 ZINC001278305792 945658567 /nfs/dbraw/zinc/65/85/67/945658567.db2.gz LJLCGMKYHWUUTN-ZDUSSCGKSA-N 1 2 287.338 1.607 20 30 CDEDLO N#Cc1cncc(-c2ccc(C[NH+]3CCOCC3)cn2)c1 ZINC001242270403 946647462 /nfs/dbraw/zinc/64/74/62/946647462.db2.gz BBUBHGIGCWLHII-UHFFFAOYSA-N 1 2 280.331 1.847 20 30 CDEDLO C=C[C@@H]1C[C@@]1([NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1)C(=O)OCC ZINC001254929334 947656351 /nfs/dbraw/zinc/65/63/51/947656351.db2.gz RGXBFMGBXOFWDK-CRQFQMBKSA-N 1 2 277.364 1.842 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CC[C@@H](Oc2nc(C)cc(OC)n2)C1 ZINC001255177449 947767803 /nfs/dbraw/zinc/76/78/03/947767803.db2.gz SABQAZISOMAIMN-CHWSQXEVSA-N 1 2 290.367 1.939 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CC[C@@H](Oc2nc(C)cc(OC)n2)C1 ZINC001255177449 947767805 /nfs/dbraw/zinc/76/78/05/947767805.db2.gz SABQAZISOMAIMN-CHWSQXEVSA-N 1 2 290.367 1.939 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257073657 948518613 /nfs/dbraw/zinc/51/86/13/948518613.db2.gz RAYGOJLMIVLVRV-VLEAKVRGSA-N 1 2 261.387 1.394 20 30 CDEDLO CCC#Cc1nnc(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001258011254 948681141 /nfs/dbraw/zinc/68/11/41/948681141.db2.gz KLKFHUDJKYNWGZ-TXEJJXNPSA-N 1 2 263.341 1.483 20 30 CDEDLO CCC#Cc1nnc(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001258011254 948681143 /nfs/dbraw/zinc/68/11/43/948681143.db2.gz KLKFHUDJKYNWGZ-TXEJJXNPSA-N 1 2 263.341 1.483 20 30 CDEDLO C=CCCNC(=S)N1CCC(n2cc[nH+]c2)CC1 ZINC001247628272 948688240 /nfs/dbraw/zinc/68/82/40/948688240.db2.gz SNAARNVPHCOHDQ-UHFFFAOYSA-N 1 2 264.398 1.971 20 30 CDEDLO CC[N@@H+]1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(C#N)cc1 ZINC001258103454 948703098 /nfs/dbraw/zinc/70/30/98/948703098.db2.gz SNDYFYHSYRDDNE-STQMWFEESA-N 1 2 291.376 1.025 20 30 CDEDLO CC[N@H+]1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(C#N)cc1 ZINC001258103454 948703102 /nfs/dbraw/zinc/70/31/02/948703102.db2.gz SNDYFYHSYRDDNE-STQMWFEESA-N 1 2 291.376 1.025 20 30 CDEDLO C=CCCCNC(=S)NCCCn1cc[nH+]c1 ZINC001247697332 948708410 /nfs/dbraw/zinc/70/84/10/948708410.db2.gz QDBMVBBSZSXTMV-UHFFFAOYSA-N 1 2 252.387 1.704 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc3onc(C)c3c2)CC1 ZINC001248706499 949101434 /nfs/dbraw/zinc/10/14/34/949101434.db2.gz WAYMOKWGQNFRSN-UHFFFAOYSA-N 1 2 269.348 1.887 20 30 CDEDLO N#Cc1ccn2ncc(C[N@@H+]3CCO[C@]4(CCOC4)C3)c2c1 ZINC001249086484 949377194 /nfs/dbraw/zinc/37/71/94/949377194.db2.gz FIGFADUSWMWCQX-MRXNPFEDSA-N 1 2 298.346 1.197 20 30 CDEDLO N#Cc1ccn2ncc(C[N@H+]3CCO[C@]4(CCOC4)C3)c2c1 ZINC001249086484 949377212 /nfs/dbraw/zinc/37/72/12/949377212.db2.gz FIGFADUSWMWCQX-MRXNPFEDSA-N 1 2 298.346 1.197 20 30 CDEDLO NC(=O)Cc1ccccc1[NH+]=C(NO)c1ccccc1N ZINC001249611110 949705052 /nfs/dbraw/zinc/70/50/52/949705052.db2.gz ROZQIXWGUMRCRD-UHFFFAOYSA-N 1 2 284.319 1.354 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1Cc2nnn(CC)c2[C@@H](COC)C1 ZINC001252594696 951487179 /nfs/dbraw/zinc/48/71/79/951487179.db2.gz APPYMKVLAQCYHB-CHWSQXEVSA-N 1 2 294.399 1.171 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1Cc2nnn(CC)c2[C@@H](COC)C1 ZINC001252594696 951487187 /nfs/dbraw/zinc/48/71/87/951487187.db2.gz APPYMKVLAQCYHB-CHWSQXEVSA-N 1 2 294.399 1.171 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1cccnc1 ZINC001252602575 951495406 /nfs/dbraw/zinc/49/54/06/951495406.db2.gz UTUPKZXAEBCGFI-HUUCEWRRSA-N 1 2 262.353 1.782 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCOC[C@@H]1c1cccnc1 ZINC001252602575 951495415 /nfs/dbraw/zinc/49/54/15/951495415.db2.gz UTUPKZXAEBCGFI-HUUCEWRRSA-N 1 2 262.353 1.782 20 30 CDEDLO C=CCCCCCC[C@H](O)C[N@H+]1CCN(C)C(=O)C1 ZINC001253227224 951821649 /nfs/dbraw/zinc/82/16/49/951821649.db2.gz FMKZAYPNNNKYQT-AWEZNQCLSA-N 1 2 268.401 1.648 20 30 CDEDLO C=CCCCCCC[C@H](O)C[N@@H+]1CCN(C)C(=O)C1 ZINC001253227224 951821657 /nfs/dbraw/zinc/82/16/57/951821657.db2.gz FMKZAYPNNNKYQT-AWEZNQCLSA-N 1 2 268.401 1.648 20 30 CDEDLO C=C[C@H](O)CNc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001253589643 951983127 /nfs/dbraw/zinc/98/31/27/951983127.db2.gz GYUYAXPKSGCHPR-HNNXBMFYSA-N 1 2 292.379 1.356 20 30 CDEDLO N#CCc1cccc(NC(=O)N2CCn3c[nH+]cc3C2)c1 ZINC001364368319 954510732 /nfs/dbraw/zinc/51/07/32/954510732.db2.gz LOYXEIQENRPLMT-UHFFFAOYSA-N 1 2 281.319 1.997 20 30 CDEDLO Cc1nocc1C[N@@H+](CCNC(=O)[C@H](C)C#N)C1CC1 ZINC001493357913 972030171 /nfs/dbraw/zinc/03/01/71/972030171.db2.gz UJYKYJOYVTVGRK-SNVBAGLBSA-N 1 2 276.340 1.223 20 30 CDEDLO Cc1nocc1C[N@H+](CCNC(=O)[C@H](C)C#N)C1CC1 ZINC001493357913 972030180 /nfs/dbraw/zinc/03/01/80/972030180.db2.gz UJYKYJOYVTVGRK-SNVBAGLBSA-N 1 2 276.340 1.223 20 30 CDEDLO C[N@H+](CCNC(=O)CC(C)(C)O)Cc1ccccc1C#N ZINC001492238398 955728113 /nfs/dbraw/zinc/72/81/13/955728113.db2.gz YSZPDRYCNKBJLF-UHFFFAOYSA-N 1 2 289.379 1.267 20 30 CDEDLO C[N@@H+](CCNC(=O)CC(C)(C)O)Cc1ccccc1C#N ZINC001492238398 955728131 /nfs/dbraw/zinc/72/81/31/955728131.db2.gz YSZPDRYCNKBJLF-UHFFFAOYSA-N 1 2 289.379 1.267 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCc1cnn(C)c1 ZINC001422916845 956447754 /nfs/dbraw/zinc/44/77/54/956447754.db2.gz LAMRSQKXUSMYBJ-LBPRGKRZSA-N 1 2 298.818 1.542 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCc1cnn(C)c1 ZINC001422916845 956447760 /nfs/dbraw/zinc/44/77/60/956447760.db2.gz LAMRSQKXUSMYBJ-LBPRGKRZSA-N 1 2 298.818 1.542 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(O)(c2ccnn2C)CC1 ZINC001308047614 956461087 /nfs/dbraw/zinc/46/10/87/956461087.db2.gz LXAFVMRFZOSXEK-UHFFFAOYSA-N 1 2 255.749 1.456 20 30 CDEDLO C#CCCCCCC[N@@H+](C)Cc1nnc2n1CCNC2=O ZINC001308070472 956465211 /nfs/dbraw/zinc/46/52/11/956465211.db2.gz HYXIIHAGJDHVMA-UHFFFAOYSA-N 1 2 289.383 1.037 20 30 CDEDLO C#CCCCCCC[N@H+](C)Cc1nnc2n1CCNC2=O ZINC001308070472 956465218 /nfs/dbraw/zinc/46/52/18/956465218.db2.gz HYXIIHAGJDHVMA-UHFFFAOYSA-N 1 2 289.383 1.037 20 30 CDEDLO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC001316974280 956908293 /nfs/dbraw/zinc/90/82/93/956908293.db2.gz PRTHIJBNIZMLAE-ZDUSSCGKSA-N 1 2 288.395 1.486 20 30 CDEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC001316974280 956908305 /nfs/dbraw/zinc/90/83/05/956908305.db2.gz PRTHIJBNIZMLAE-ZDUSSCGKSA-N 1 2 288.395 1.486 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CCCOC1 ZINC001366607662 956998110 /nfs/dbraw/zinc/99/81/10/956998110.db2.gz BVRITZODASBONA-LBPRGKRZSA-N 1 2 274.792 1.604 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CCCOC1 ZINC001366607662 956998117 /nfs/dbraw/zinc/99/81/17/956998117.db2.gz BVRITZODASBONA-LBPRGKRZSA-N 1 2 274.792 1.604 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCc2ncccn2)C1 ZINC001367035779 957359013 /nfs/dbraw/zinc/35/90/13/957359013.db2.gz ZXLJYSSPPPHVOU-GFCCVEGCSA-N 1 2 294.786 1.352 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCc2ncccn2)C1 ZINC001367035779 957359017 /nfs/dbraw/zinc/35/90/17/957359017.db2.gz ZXLJYSSPPPHVOU-GFCCVEGCSA-N 1 2 294.786 1.352 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)OCC[C@@H](C)C(C)=O)CC1 ZINC001333195955 958148373 /nfs/dbraw/zinc/14/83/73/958148373.db2.gz SNXVCEUELOUKET-GFCCVEGCSA-N 1 2 265.353 1.490 20 30 CDEDLO C[N@H+](CC(=O)NCCC#N)Cc1cc2ccccc2[nH]1 ZINC001319078726 958367633 /nfs/dbraw/zinc/36/76/33/958367633.db2.gz RDYLPBBIWMTRIB-UHFFFAOYSA-N 1 2 270.336 1.630 20 30 CDEDLO C[N@@H+](CC(=O)NCCC#N)Cc1cc2ccccc2[nH]1 ZINC001319078726 958367646 /nfs/dbraw/zinc/36/76/46/958367646.db2.gz RDYLPBBIWMTRIB-UHFFFAOYSA-N 1 2 270.336 1.630 20 30 CDEDLO C=C[C@H](COC)NC(=O)[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC001320316958 959078121 /nfs/dbraw/zinc/07/81/21/959078121.db2.gz KLQBKTXSVNWFHN-HUUCEWRRSA-N 1 2 298.427 1.441 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC001334745531 959324702 /nfs/dbraw/zinc/32/47/02/959324702.db2.gz HVZZMGAKDQJNBX-OLZOCXBDSA-N 1 2 254.374 1.426 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(OCC#N)cc1 ZINC001433579792 960415738 /nfs/dbraw/zinc/41/57/38/960415738.db2.gz MMWFHZDCJFMWEK-UHFFFAOYSA-N 1 2 270.292 1.802 20 30 CDEDLO C=C(C)CN(C)c1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC001336796781 960598815 /nfs/dbraw/zinc/59/88/15/960598815.db2.gz INBVFHOVUOUDNW-NSHDSACASA-N 1 2 250.346 1.672 20 30 CDEDLO C=C(C)CN(C)c1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC001336796781 960598831 /nfs/dbraw/zinc/59/88/31/960598831.db2.gz INBVFHOVUOUDNW-NSHDSACASA-N 1 2 250.346 1.672 20 30 CDEDLO CCC[N@H+](CC1(CC#N)CC1)[C@H](COC)C(=O)OCC ZINC001434488716 961521204 /nfs/dbraw/zinc/52/12/04/961521204.db2.gz ZOGFGFBLQRWHSF-CYBMUJFWSA-N 1 2 282.384 1.970 20 30 CDEDLO CCC[N@@H+](CC1(CC#N)CC1)[C@H](COC)C(=O)OCC ZINC001434488716 961521214 /nfs/dbraw/zinc/52/12/14/961521214.db2.gz ZOGFGFBLQRWHSF-CYBMUJFWSA-N 1 2 282.384 1.970 20 30 CDEDLO Cn1c[nH+]cc1C1CCN(C(=O)C(C)(C)C#N)CC1 ZINC001338517778 961853025 /nfs/dbraw/zinc/85/30/25/961853025.db2.gz JXHPAQLDWNWGNP-UHFFFAOYSA-N 1 2 260.341 1.676 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1[nH]cnc1C ZINC001420066025 962440622 /nfs/dbraw/zinc/44/06/22/962440622.db2.gz ZYBJYUFUXORDMU-UHFFFAOYSA-N 1 2 270.764 1.474 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1[nH]cnc1C ZINC001420066025 962440636 /nfs/dbraw/zinc/44/06/36/962440636.db2.gz ZYBJYUFUXORDMU-UHFFFAOYSA-N 1 2 270.764 1.474 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](C)Cn1ccc(C)n1 ZINC001420233301 962613543 /nfs/dbraw/zinc/61/35/43/962613543.db2.gz IRPHNBGKICKGFF-NSHDSACASA-N 1 2 298.818 1.628 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](C)Cn1ccc(C)n1 ZINC001420233301 962613549 /nfs/dbraw/zinc/61/35/49/962613549.db2.gz IRPHNBGKICKGFF-NSHDSACASA-N 1 2 298.818 1.628 20 30 CDEDLO C=CCC[C@H]1CCCN1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001341496663 963438175 /nfs/dbraw/zinc/43/81/75/963438175.db2.gz LZZZPEOMDMOUSA-GJZGRUSLSA-N 1 2 295.427 1.847 20 30 CDEDLO C=CCC[C@H]1CCCN1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001341496663 963438181 /nfs/dbraw/zinc/43/81/81/963438181.db2.gz LZZZPEOMDMOUSA-GJZGRUSLSA-N 1 2 295.427 1.847 20 30 CDEDLO C#C[C@@H](C)NC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001341684069 963509770 /nfs/dbraw/zinc/50/97/70/963509770.db2.gz LCEFBLRLKZKDKC-LLVKDONJSA-N 1 2 260.341 1.331 20 30 CDEDLO C=C(CC)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001345535958 964736981 /nfs/dbraw/zinc/73/69/81/964736981.db2.gz GUUHIEGGDFKQLW-INIZCTEOSA-N 1 2 288.391 1.970 20 30 CDEDLO C=C(CC)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001345535958 964736985 /nfs/dbraw/zinc/73/69/85/964736985.db2.gz GUUHIEGGDFKQLW-INIZCTEOSA-N 1 2 288.391 1.970 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1cscn1 ZINC001442918191 965279639 /nfs/dbraw/zinc/27/96/39/965279639.db2.gz FWUCNHYZEFXEBH-LLVKDONJSA-N 1 2 280.397 1.631 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1cscn1 ZINC001442918191 965279649 /nfs/dbraw/zinc/27/96/49/965279649.db2.gz FWUCNHYZEFXEBH-LLVKDONJSA-N 1 2 280.397 1.631 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1CCCOC1)C1CC1 ZINC001442994784 965312128 /nfs/dbraw/zinc/31/21/28/965312128.db2.gz MMGPYRREUUGABB-GFCCVEGCSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1CCCOC1)C1CC1 ZINC001442994784 965312132 /nfs/dbraw/zinc/31/21/32/965312132.db2.gz MMGPYRREUUGABB-GFCCVEGCSA-N 1 2 286.803 1.746 20 30 CDEDLO N#CCOc1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001443099598 965352227 /nfs/dbraw/zinc/35/22/27/965352227.db2.gz NTROUJCTVWQESV-UHFFFAOYSA-N 1 2 270.292 1.171 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)N1CCC[C@](C)(C#N)C1 ZINC001347138432 965389739 /nfs/dbraw/zinc/38/97/39/965389739.db2.gz QVFFBCQALPFGLK-CQSZACIVSA-N 1 2 260.341 1.505 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCCc1[nH+]ccn1C ZINC001349649930 966419588 /nfs/dbraw/zinc/41/95/88/966419588.db2.gz VHONVCUAJKBJNK-NSHDSACASA-N 1 2 251.330 1.060 20 30 CDEDLO C#C[C@H](C)N(C)c1nnc([C@H]2CCCC[N@@H+]2C)n1CC ZINC001356569959 969431751 /nfs/dbraw/zinc/43/17/51/969431751.db2.gz KLSBIXHHKPMLMK-QWHCGFSZSA-N 1 2 275.400 1.913 20 30 CDEDLO C#C[C@H](C)N(C)c1nnc([C@H]2CCCC[N@H+]2C)n1CC ZINC001356569959 969431756 /nfs/dbraw/zinc/43/17/56/969431756.db2.gz KLSBIXHHKPMLMK-QWHCGFSZSA-N 1 2 275.400 1.913 20 30 CDEDLO C=CCN(C)c1nnc([C@@H]2CCCC[N@@H+]2C)n1CCOC ZINC001358262475 969714754 /nfs/dbraw/zinc/71/47/54/969714754.db2.gz DWHBUVGOZOTHON-ZDUSSCGKSA-N 1 2 293.415 1.704 20 30 CDEDLO C=CCN(C)c1nnc([C@@H]2CCCC[N@H+]2C)n1CCOC ZINC001358262475 969714757 /nfs/dbraw/zinc/71/47/57/969714757.db2.gz DWHBUVGOZOTHON-ZDUSSCGKSA-N 1 2 293.415 1.704 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cc1ccc(OC)cn1 ZINC001372088129 972782478 /nfs/dbraw/zinc/78/24/78/972782478.db2.gz QIABAPKEKPSGKM-UHFFFAOYSA-N 1 2 297.786 1.433 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cc1ccc(OC)cn1 ZINC001372088129 972782486 /nfs/dbraw/zinc/78/24/86/972782486.db2.gz QIABAPKEKPSGKM-UHFFFAOYSA-N 1 2 297.786 1.433 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)NCc1ccc(C#N)c(F)c1 ZINC001418020158 973531361 /nfs/dbraw/zinc/53/13/61/973531361.db2.gz XIDVYEBPSGCJQS-UHFFFAOYSA-N 1 2 272.283 1.588 20 30 CDEDLO CC(C)c1nc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](C)C#N)C2)no1 ZINC001418048351 973550102 /nfs/dbraw/zinc/55/01/02/973550102.db2.gz FAMICQZTNMDKND-GMTAPVOTSA-N 1 2 291.355 1.089 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cncs1 ZINC001374470630 973965525 /nfs/dbraw/zinc/96/55/25/973965525.db2.gz NBELZXMEBBRJLV-UHFFFAOYSA-N 1 2 273.789 1.899 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cncs1 ZINC001374470630 973965536 /nfs/dbraw/zinc/96/55/36/973965536.db2.gz NBELZXMEBBRJLV-UHFFFAOYSA-N 1 2 273.789 1.899 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1c(C)ncn1C ZINC001379693677 976014622 /nfs/dbraw/zinc/01/46/22/976014622.db2.gz SPLSLYQXNCSMMT-SNVBAGLBSA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1c(C)ncn1C ZINC001379693677 976014634 /nfs/dbraw/zinc/01/46/34/976014634.db2.gz SPLSLYQXNCSMMT-SNVBAGLBSA-N 1 2 284.791 1.531 20 30 CDEDLO C[C@@H](C#N)C(=O)NC1(C)CC[NH+](Cc2cnns2)CC1 ZINC001407121644 976562695 /nfs/dbraw/zinc/56/26/95/976562695.db2.gz WLOUOCQVJBMTQG-JTQLQIEISA-N 1 2 293.396 1.168 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(CC)c[nH]c1=O ZINC001399622145 976607063 /nfs/dbraw/zinc/60/70/63/976607063.db2.gz RBAKBNNWUCEBPK-UHFFFAOYSA-N 1 2 297.786 1.764 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(CC)c[nH]c1=O ZINC001399622145 976607066 /nfs/dbraw/zinc/60/70/66/976607066.db2.gz RBAKBNNWUCEBPK-UHFFFAOYSA-N 1 2 297.786 1.764 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccc(C(N)=O)cc1 ZINC001399649675 976620830 /nfs/dbraw/zinc/62/08/30/976620830.db2.gz XHOSFRKDNASCHI-UHFFFAOYSA-N 1 2 295.770 1.200 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccc(C(N)=O)cc1 ZINC001399649675 976620834 /nfs/dbraw/zinc/62/08/34/976620834.db2.gz XHOSFRKDNASCHI-UHFFFAOYSA-N 1 2 295.770 1.200 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1c(C)ncn1C ZINC001403122727 976741110 /nfs/dbraw/zinc/74/11/10/976741110.db2.gz BHPGWRGXDCRULW-JTQLQIEISA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1c(C)ncn1C ZINC001403122727 976741112 /nfs/dbraw/zinc/74/11/12/976741112.db2.gz BHPGWRGXDCRULW-JTQLQIEISA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cnn(C)c1)C1CC1 ZINC001399984771 976789860 /nfs/dbraw/zinc/78/98/60/976789860.db2.gz AMHFVCYHTSVTCH-UHFFFAOYSA-N 1 2 282.775 1.367 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cnn(C)c1)C1CC1 ZINC001399984771 976789866 /nfs/dbraw/zinc/78/98/66/976789866.db2.gz AMHFVCYHTSVTCH-UHFFFAOYSA-N 1 2 282.775 1.367 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cc(C)n[nH]1 ZINC001381488896 976853384 /nfs/dbraw/zinc/85/33/84/976853384.db2.gz HUWUZUBRAOYRLC-SNVBAGLBSA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cc(C)n[nH]1 ZINC001381488896 976853391 /nfs/dbraw/zinc/85/33/91/976853391.db2.gz HUWUZUBRAOYRLC-SNVBAGLBSA-N 1 2 270.764 1.521 20 30 CDEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1ncc(CC)o1 ZINC001132568771 1163375751 /nfs/dbraw/zinc/37/57/51/1163375751.db2.gz DHUKFIQXLGFWSS-VXGBXAGGSA-N 1 2 279.384 1.901 20 30 CDEDLO C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001598624918 994072156 /nfs/dbraw/zinc/07/21/56/994072156.db2.gz JRNJBVNQEZNXCI-XHSDSOJGSA-N 1 2 299.374 1.852 20 30 CDEDLO C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001598624918 994072165 /nfs/dbraw/zinc/07/21/65/994072165.db2.gz JRNJBVNQEZNXCI-XHSDSOJGSA-N 1 2 299.374 1.852 20 30 CDEDLO C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001598624918 994072169 /nfs/dbraw/zinc/07/21/69/994072169.db2.gz JRNJBVNQEZNXCI-XHSDSOJGSA-N 1 2 299.374 1.852 20 30 CDEDLO C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001598624918 994072181 /nfs/dbraw/zinc/07/21/81/994072181.db2.gz JRNJBVNQEZNXCI-XHSDSOJGSA-N 1 2 299.374 1.852 20 30 CDEDLO CC1(C)C[N@@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@H]1[NH3+] ZINC001593940687 996952140 /nfs/dbraw/zinc/95/21/40/996952140.db2.gz PGBANRQXCZZIJU-CHWSQXEVSA-N 1 2 273.336 1.353 20 30 CDEDLO CC1(C)C[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@H]1[NH3+] ZINC001593940687 996952154 /nfs/dbraw/zinc/95/21/54/996952154.db2.gz PGBANRQXCZZIJU-CHWSQXEVSA-N 1 2 273.336 1.353 20 30 CDEDLO C#C[C@@](C)(CC)Nc1ccc(Cn2cncn2)c[nH+]1 ZINC001158742508 1163509256 /nfs/dbraw/zinc/50/92/56/1163509256.db2.gz HNXHLBCWMTWZAU-AWEZNQCLSA-N 1 2 255.325 1.935 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000590203744 342524687 /nfs/dbraw/zinc/52/46/87/342524687.db2.gz UCKXTDAHCPFMFK-TZMCWYRMSA-N 1 2 255.358 1.445 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000590203744 342524688 /nfs/dbraw/zinc/52/46/88/342524688.db2.gz UCKXTDAHCPFMFK-TZMCWYRMSA-N 1 2 255.358 1.445 20 30 CDEDLO Cc1onc(CC(=O)N2CC(Oc3cc[nH+]cc3)C2)c1C#N ZINC000611528014 346812655 /nfs/dbraw/zinc/81/26/55/346812655.db2.gz HQNDSRBHGUYQAU-UHFFFAOYSA-N 1 2 298.302 1.082 20 30 CDEDLO C#C[C@H](CCC)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000491667660 342532748 /nfs/dbraw/zinc/53/27/48/342532748.db2.gz LRAMEPAQLZAIRR-CYBMUJFWSA-N 1 2 281.400 1.198 20 30 CDEDLO C#C[C@H](CCC)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000491667660 342532749 /nfs/dbraw/zinc/53/27/49/342532749.db2.gz LRAMEPAQLZAIRR-CYBMUJFWSA-N 1 2 281.400 1.198 20 30 CDEDLO N#Cc1c(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)n[nH]c1C1CC1 ZINC000290570858 342535406 /nfs/dbraw/zinc/53/54/06/342535406.db2.gz PUDZDQOEMHXKLO-LBPRGKRZSA-N 1 2 285.351 1.724 20 30 CDEDLO N#Cc1c(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)n[nH]c1C1CC1 ZINC000290570858 342535407 /nfs/dbraw/zinc/53/54/07/342535407.db2.gz PUDZDQOEMHXKLO-LBPRGKRZSA-N 1 2 285.351 1.724 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)CCCCCC#N)CCO1 ZINC000588337219 342037926 /nfs/dbraw/zinc/03/79/26/342037926.db2.gz LHIRWIGRXOCCJL-ZDUSSCGKSA-N 1 2 267.373 1.297 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)CCCCCC#N)CCO1 ZINC000588337219 342037927 /nfs/dbraw/zinc/03/79/27/342037927.db2.gz LHIRWIGRXOCCJL-ZDUSSCGKSA-N 1 2 267.373 1.297 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000590740830 342586528 /nfs/dbraw/zinc/58/65/28/342586528.db2.gz VXYZMDFNEJGKCB-ZIAGYGMSSA-N 1 2 260.337 1.989 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000590740830 342586529 /nfs/dbraw/zinc/58/65/29/342586529.db2.gz VXYZMDFNEJGKCB-ZIAGYGMSSA-N 1 2 260.337 1.989 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1ccc(C)cn1 ZINC000590754873 342587932 /nfs/dbraw/zinc/58/79/32/342587932.db2.gz QZCVNSIRONTXLU-CQSZACIVSA-N 1 2 288.395 1.830 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccc(C)cn1 ZINC000590754873 342587933 /nfs/dbraw/zinc/58/79/33/342587933.db2.gz QZCVNSIRONTXLU-CQSZACIVSA-N 1 2 288.395 1.830 20 30 CDEDLO N#Cc1ccc(C(=O)NCCNc2cccc[nH+]2)nc1 ZINC000609354482 342103760 /nfs/dbraw/zinc/10/37/60/342103760.db2.gz PEJOXVFOSYYATG-UHFFFAOYSA-N 1 2 267.292 1.190 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)nc1 ZINC000609354704 342103765 /nfs/dbraw/zinc/10/37/65/342103765.db2.gz KOIGKSDAAZKQBB-UHFFFAOYSA-N 1 2 280.287 1.252 20 30 CDEDLO N#Cc1ccc(CC(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1 ZINC000609355016 342103907 /nfs/dbraw/zinc/10/39/07/342103907.db2.gz XHSXOYLDTWKIMZ-UHFFFAOYSA-N 1 2 293.326 1.786 20 30 CDEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000590972462 342612501 /nfs/dbraw/zinc/61/25/01/342612501.db2.gz WSNCDBKLKUGULM-HIFRSBDPSA-N 1 2 285.347 1.608 20 30 CDEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000590972462 342612502 /nfs/dbraw/zinc/61/25/02/342612502.db2.gz WSNCDBKLKUGULM-HIFRSBDPSA-N 1 2 285.347 1.608 20 30 CDEDLO Cc1cc(CNC(=O)N2CC[C@](F)(C#N)C2)cc(C)[nH+]1 ZINC000591470995 342633862 /nfs/dbraw/zinc/63/38/62/342633862.db2.gz NESPWMBUGBMZDO-AWEZNQCLSA-N 1 2 276.315 1.846 20 30 CDEDLO Cc1cc(N2CCC3(CNC(=O)C3)CC2)c(C#N)c[nH+]1 ZINC000591820929 342647419 /nfs/dbraw/zinc/64/74/19/342647419.db2.gz GVFCLJVHANCHNF-UHFFFAOYSA-N 1 2 270.336 1.368 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1ccon1 ZINC000591853690 342649831 /nfs/dbraw/zinc/64/98/31/342649831.db2.gz XNKHJIUQBBDYIU-LLVKDONJSA-N 1 2 284.319 1.600 20 30 CDEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1ccon1 ZINC000591853690 342649832 /nfs/dbraw/zinc/64/98/32/342649832.db2.gz XNKHJIUQBBDYIU-LLVKDONJSA-N 1 2 284.319 1.600 20 30 CDEDLO CCc1noc([C@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)n1 ZINC000592146324 342673405 /nfs/dbraw/zinc/67/34/05/342673405.db2.gz HHTQZPQVEQTLLC-JOYOIKCWSA-N 1 2 250.302 1.043 20 30 CDEDLO CCc1noc([C@H](C)[N@H+]2CC[C@](O)(CC#N)C2)n1 ZINC000592146324 342673406 /nfs/dbraw/zinc/67/34/06/342673406.db2.gz HHTQZPQVEQTLLC-JOYOIKCWSA-N 1 2 250.302 1.043 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000592146869 342673768 /nfs/dbraw/zinc/67/37/68/342673768.db2.gz GVFMJHZVIYKEAU-AWEZNQCLSA-N 1 2 257.293 1.678 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000592146869 342673770 /nfs/dbraw/zinc/67/37/70/342673770.db2.gz GVFMJHZVIYKEAU-AWEZNQCLSA-N 1 2 257.293 1.678 20 30 CDEDLO C[C@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147312 342667808 /nfs/dbraw/zinc/66/78/08/342667808.db2.gz NSXPNVJWJUQWPG-RNCFNFMXSA-N 1 2 262.313 1.358 20 30 CDEDLO C[C@H](c1nc(C2CC2)no1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147312 342667809 /nfs/dbraw/zinc/66/78/09/342667809.db2.gz NSXPNVJWJUQWPG-RNCFNFMXSA-N 1 2 262.313 1.358 20 30 CDEDLO COC(=O)c1sccc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152626 342669375 /nfs/dbraw/zinc/66/93/75/342669375.db2.gz YYQZHFDDYCYVMV-ZDUSSCGKSA-N 1 2 280.349 1.385 20 30 CDEDLO COC(=O)c1sccc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152626 342669377 /nfs/dbraw/zinc/66/93/77/342669377.db2.gz YYQZHFDDYCYVMV-ZDUSSCGKSA-N 1 2 280.349 1.385 20 30 CDEDLO CC[C@@]1(C)C[N@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000592509019 342699838 /nfs/dbraw/zinc/69/98/38/342699838.db2.gz FDBUOQZJFOZBAX-HNNXBMFYSA-N 1 2 285.351 1.602 20 30 CDEDLO CC[C@@]1(C)C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000592509019 342699839 /nfs/dbraw/zinc/69/98/39/342699839.db2.gz FDBUOQZJFOZBAX-HNNXBMFYSA-N 1 2 285.351 1.602 20 30 CDEDLO N#Cc1cnn2cc(C[NH+]3CC(C(F)F)C3)cnc12 ZINC000592517442 342701263 /nfs/dbraw/zinc/70/12/63/342701263.db2.gz VTLTXLLKHUKDDV-UHFFFAOYSA-N 1 2 263.251 1.298 20 30 CDEDLO Cc1nc2c(cccc2C(=O)N[C@](C)(C#N)C[NH+](C)C)o1 ZINC000593153326 342774118 /nfs/dbraw/zinc/77/41/18/342774118.db2.gz WHFUWKPJOXJGRK-OAHLLOKOSA-N 1 2 286.335 1.710 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC000593153384 342774230 /nfs/dbraw/zinc/77/42/30/342774230.db2.gz ZEDHLGHXQFEUQH-UKRRQHHQSA-N 1 2 275.327 1.425 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)N1CC(=O)Nc2ccccc21 ZINC000594008844 342862954 /nfs/dbraw/zinc/86/29/54/342862954.db2.gz AGDXIWLQUCDFFD-LLVKDONJSA-N 1 2 286.335 1.254 20 30 CDEDLO C=CCCn1cc(C[NH+]2CCC(C(=O)OCC)CC2)nn1 ZINC000593942684 342859707 /nfs/dbraw/zinc/85/97/07/342859707.db2.gz WSLHGMYXDSUVFD-UHFFFAOYSA-N 1 2 292.383 1.629 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2cccnc2OC)nn1 ZINC000657305153 539107806 /nfs/dbraw/zinc/10/78/06/539107806.db2.gz AFNJWGMPFJJFRF-UHFFFAOYSA-N 1 2 273.340 1.548 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccccc3)C2=O)C1 ZINC000594659318 342936171 /nfs/dbraw/zinc/93/61/71/342936171.db2.gz CMKUBXQZUQSTQB-DZGCQCFKSA-N 1 2 297.358 1.944 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccccc3)C2=O)C1 ZINC000594659318 342936172 /nfs/dbraw/zinc/93/61/72/342936172.db2.gz CMKUBXQZUQSTQB-DZGCQCFKSA-N 1 2 297.358 1.944 20 30 CDEDLO CC(C)(C)n1nnc(CC[N@H+](CCC#N)CC2CC2)n1 ZINC000595331854 343037400 /nfs/dbraw/zinc/03/74/00/343037400.db2.gz FYTYZTLGLRWAOG-UHFFFAOYSA-N 1 2 276.388 1.596 20 30 CDEDLO CC(C)(C)n1nnc(CC[N@@H+](CCC#N)CC2CC2)n1 ZINC000595331854 343037402 /nfs/dbraw/zinc/03/74/02/343037402.db2.gz FYTYZTLGLRWAOG-UHFFFAOYSA-N 1 2 276.388 1.596 20 30 CDEDLO CC(C)(C(N)=O)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000595348044 343045294 /nfs/dbraw/zinc/04/52/94/343045294.db2.gz XYLDFWPSFCHSTF-AWEZNQCLSA-N 1 2 286.379 1.133 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595444656 343063539 /nfs/dbraw/zinc/06/35/39/343063539.db2.gz PGUJXAGAFHXLSZ-KGLIPLIRSA-N 1 2 294.399 1.042 20 30 CDEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595474466 343063723 /nfs/dbraw/zinc/06/37/23/343063723.db2.gz UXNPZORJQRIDMW-LSDHHAIUSA-N 1 2 288.347 1.099 20 30 CDEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595474466 343063725 /nfs/dbraw/zinc/06/37/25/343063725.db2.gz UXNPZORJQRIDMW-LSDHHAIUSA-N 1 2 288.347 1.099 20 30 CDEDLO C=CCSCCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000595492474 343076331 /nfs/dbraw/zinc/07/63/31/343076331.db2.gz MFFNNFNQJJLXJF-UHFFFAOYSA-N 1 2 254.359 1.470 20 30 CDEDLO C=CCSCCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000595492474 343076332 /nfs/dbraw/zinc/07/63/32/343076332.db2.gz MFFNNFNQJJLXJF-UHFFFAOYSA-N 1 2 254.359 1.470 20 30 CDEDLO CN(CC[NH+]1CCOCC1)c1cc(Cl)ccc1C#N ZINC000077963009 342334059 /nfs/dbraw/zinc/33/40/59/342334059.db2.gz METHNXGHMNTXDG-UHFFFAOYSA-N 1 2 279.771 1.980 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2[C@@H](C)O)c(C#N)c1C ZINC000595769754 343146455 /nfs/dbraw/zinc/14/64/55/343146455.db2.gz LHSQFHJIVCZWOE-ZWNOBZJWSA-N 1 2 291.351 1.552 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H](C)O)c(C#N)c1C ZINC000595769754 343146458 /nfs/dbraw/zinc/14/64/58/343146458.db2.gz LHSQFHJIVCZWOE-ZWNOBZJWSA-N 1 2 291.351 1.552 20 30 CDEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)NCc1ccccc1OC ZINC000081054357 342363788 /nfs/dbraw/zinc/36/37/88/342363788.db2.gz BQVZHNNVQQYGSN-CYBMUJFWSA-N 1 2 289.379 1.935 20 30 CDEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)NCc1ccccc1OC ZINC000081054357 342363789 /nfs/dbraw/zinc/36/37/89/342363789.db2.gz BQVZHNNVQQYGSN-CYBMUJFWSA-N 1 2 289.379 1.935 20 30 CDEDLO COC[C@@H]1CC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000083207437 342376722 /nfs/dbraw/zinc/37/67/22/342376722.db2.gz RUAITPKGIYIDQN-HIFRSBDPSA-N 1 2 288.347 1.741 20 30 CDEDLO COC[C@@H]1CC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000083207437 342376723 /nfs/dbraw/zinc/37/67/23/342376723.db2.gz RUAITPKGIYIDQN-HIFRSBDPSA-N 1 2 288.347 1.741 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)NCC2(CC#N)CC2)[C@H](C)CO1 ZINC000596587636 343355950 /nfs/dbraw/zinc/35/59/50/343355950.db2.gz OJJCWVKWZASEHD-CHWSQXEVSA-N 1 2 294.399 1.089 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCC2(CC#N)CC2)[C@H](C)CO1 ZINC000596587636 343355952 /nfs/dbraw/zinc/35/59/52/343355952.db2.gz OJJCWVKWZASEHD-CHWSQXEVSA-N 1 2 294.399 1.089 20 30 CDEDLO CN(Cc1ccc(C#N)cc1)C(=O)CCc1c[nH+]c[nH]1 ZINC000276388307 342449207 /nfs/dbraw/zinc/44/92/07/342449207.db2.gz FNRAQBBXEPHQMX-UHFFFAOYSA-N 1 2 268.320 1.873 20 30 CDEDLO CN(Cc1ccc(C#N)cc1)C(=O)CCc1c[nH]c[nH+]1 ZINC000276388307 342449208 /nfs/dbraw/zinc/44/92/08/342449208.db2.gz FNRAQBBXEPHQMX-UHFFFAOYSA-N 1 2 268.320 1.873 20 30 CDEDLO COCC[N@H+](CCC#N)CCC(=O)NCC1CCCCC1 ZINC000072690226 349812045 /nfs/dbraw/zinc/81/20/45/349812045.db2.gz HLQOKOKHZBDALG-UHFFFAOYSA-N 1 2 295.427 1.935 20 30 CDEDLO COCC[N@@H+](CCC#N)CCC(=O)NCC1CCCCC1 ZINC000072690226 349812051 /nfs/dbraw/zinc/81/20/51/349812051.db2.gz HLQOKOKHZBDALG-UHFFFAOYSA-N 1 2 295.427 1.935 20 30 CDEDLO C[C@@]1(C#N)CC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000597230855 343488490 /nfs/dbraw/zinc/48/84/90/343488490.db2.gz UKGWPIDZHOBSJT-AWEZNQCLSA-N 1 2 292.408 1.715 20 30 CDEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000597230855 343488491 /nfs/dbraw/zinc/48/84/91/343488491.db2.gz UKGWPIDZHOBSJT-AWEZNQCLSA-N 1 2 292.408 1.715 20 30 CDEDLO CC1CC(C#N)(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000597995421 343684580 /nfs/dbraw/zinc/68/45/80/343684580.db2.gz GBRFCEIRNKXYJK-FMPXUHTOSA-N 1 2 279.384 1.152 20 30 CDEDLO CC1CC(C#N)(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000597995421 343684582 /nfs/dbraw/zinc/68/45/82/343684582.db2.gz GBRFCEIRNKXYJK-FMPXUHTOSA-N 1 2 279.384 1.152 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612002674 346962216 /nfs/dbraw/zinc/96/22/16/346962216.db2.gz LJQUNKURPFSTCZ-TZMCWYRMSA-N 1 2 275.356 1.607 20 30 CDEDLO Cc1nc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)ccc1C#N ZINC000140896128 346958791 /nfs/dbraw/zinc/95/87/91/346958791.db2.gz UDFZRNUDGUEMOF-SECBINFHSA-N 1 2 255.281 1.476 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3ccncc3)CC2)nn1 ZINC000301830191 136441080 /nfs/dbraw/zinc/44/10/80/136441080.db2.gz HJCJBNZMUZRKIL-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO C[C@@H]1C[N@H+](C[C@@H](O)CC(C)(C)C#N)C[C@H](C(F)(F)F)O1 ZINC000598596100 343840212 /nfs/dbraw/zinc/84/02/12/343840212.db2.gz QQIOXSCRAFRKHU-OUAUKWLOSA-N 1 2 294.317 1.939 20 30 CDEDLO C[C@@H]1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)C[C@H](C(F)(F)F)O1 ZINC000598596100 343840216 /nfs/dbraw/zinc/84/02/16/343840216.db2.gz QQIOXSCRAFRKHU-OUAUKWLOSA-N 1 2 294.317 1.939 20 30 CDEDLO N#Cc1cccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000598950253 343933234 /nfs/dbraw/zinc/93/32/34/343933234.db2.gz PRJQSVUYWTVFHF-CYBMUJFWSA-N 1 2 266.304 1.500 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000619785235 349901991 /nfs/dbraw/zinc/90/19/91/349901991.db2.gz NGLUWCGHVVNGTI-ZDUSSCGKSA-N 1 2 278.308 1.797 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000619785235 349901994 /nfs/dbraw/zinc/90/19/94/349901994.db2.gz NGLUWCGHVVNGTI-ZDUSSCGKSA-N 1 2 278.308 1.797 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21)C1CC1 ZINC000599596446 344088846 /nfs/dbraw/zinc/08/88/46/344088846.db2.gz ULUBPUUJZOGNFX-GUTXKFCHSA-N 1 2 277.368 1.048 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21)C1CC1 ZINC000599596446 344088850 /nfs/dbraw/zinc/08/88/50/344088850.db2.gz ULUBPUUJZOGNFX-GUTXKFCHSA-N 1 2 277.368 1.048 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC000599669750 344125437 /nfs/dbraw/zinc/12/54/37/344125437.db2.gz PVZJOSDGXPCRLD-AWEZNQCLSA-N 1 2 288.347 1.061 20 30 CDEDLO C=CCNC(=O)C[N@H+]1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC000599669750 344125439 /nfs/dbraw/zinc/12/54/39/344125439.db2.gz PVZJOSDGXPCRLD-AWEZNQCLSA-N 1 2 288.347 1.061 20 30 CDEDLO N#C[C@@]1(C(=O)N2CCc3[nH]c[nH+]c3C2)CC12CCCC2 ZINC000599952726 344156792 /nfs/dbraw/zinc/15/67/92/344156792.db2.gz QVOKJGBUKKAZRB-OAHLLOKOSA-N 1 2 270.336 1.768 20 30 CDEDLO N#C[C@@]1(C(=O)N2CCc3[nH+]c[nH]c3C2)CC12CCCC2 ZINC000599952726 344156795 /nfs/dbraw/zinc/15/67/95/344156795.db2.gz QVOKJGBUKKAZRB-OAHLLOKOSA-N 1 2 270.336 1.768 20 30 CDEDLO Cc1cn2ccc(C(=O)N3CCO[C@@H](C#N)C3)cc2[nH+]1 ZINC000602098704 344333198 /nfs/dbraw/zinc/33/31/98/344333198.db2.gz SZDSNGBFDPAOJO-LBPRGKRZSA-N 1 2 270.292 1.007 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)C(=O)OC ZINC000602642742 344512547 /nfs/dbraw/zinc/51/25/47/344512547.db2.gz LXGIHGNYINXUHJ-VXGBXAGGSA-N 1 2 271.357 1.278 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1cc(C(=O)OC)no1 ZINC000602629466 344521769 /nfs/dbraw/zinc/52/17/69/344521769.db2.gz HSCJOMCBMVQMLP-UHFFFAOYSA-N 1 2 254.286 1.096 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1cc(C(=O)OC)no1 ZINC000602629466 344521771 /nfs/dbraw/zinc/52/17/71/344521771.db2.gz HSCJOMCBMVQMLP-UHFFFAOYSA-N 1 2 254.286 1.096 20 30 CDEDLO C=CCC[C@@H]([NH2+][C@@H](C)Cn1cncn1)C(=O)OCC ZINC000602682852 344528887 /nfs/dbraw/zinc/52/88/87/344528887.db2.gz SMCNCVXEYDGKRO-NWDGAFQWSA-N 1 2 266.345 1.154 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N1CCC[C@@](C)(C#N)C1 ZINC000612158060 347061441 /nfs/dbraw/zinc/06/14/41/347061441.db2.gz HJWWLNTWVFAXHB-KGLIPLIRSA-N 1 2 251.374 1.333 20 30 CDEDLO COc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)CC#N)cc1 ZINC000602862940 344617736 /nfs/dbraw/zinc/61/77/36/344617736.db2.gz LASKJYSPMPBPRH-LBPRGKRZSA-N 1 2 275.352 1.545 20 30 CDEDLO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H](C)CC#N)cc1 ZINC000602868648 344639993 /nfs/dbraw/zinc/63/99/93/344639993.db2.gz JXXMSUQBCSKYJY-JTQLQIEISA-N 1 2 274.324 1.475 20 30 CDEDLO Cc1ccc2nc(C[NH2+][C@@H](C)CC#N)cc(=O)n2c1 ZINC000602870661 344640956 /nfs/dbraw/zinc/64/09/56/344640956.db2.gz VCPHQJUPFWNMJP-NSHDSACASA-N 1 2 256.309 1.395 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC000602870782 344641026 /nfs/dbraw/zinc/64/10/26/344641026.db2.gz WVPXFWIEOYSFGW-RYUDHWBXSA-N 1 2 288.351 1.293 20 30 CDEDLO CN1CCC[C@@H](NC(=O)Cc2cn3ccccc3[nH+]2)C1=O ZINC000330108914 530054262 /nfs/dbraw/zinc/05/42/62/530054262.db2.gz OJVAPTKOGMTGGT-GFCCVEGCSA-N 1 2 286.335 1.454 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000295091358 199341751 /nfs/dbraw/zinc/34/17/51/199341751.db2.gz TVWNGRKKZYYPQG-GFCCVEGCSA-N 1 2 260.337 1.572 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2CC(=O)N[C@H](C)C2)c1 ZINC000295091358 199341752 /nfs/dbraw/zinc/34/17/52/199341752.db2.gz TVWNGRKKZYYPQG-GFCCVEGCSA-N 1 2 260.337 1.572 20 30 CDEDLO CS(=O)(=O)[C@@H]1CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000383504930 345633718 /nfs/dbraw/zinc/63/37/18/345633718.db2.gz FWGKRHCGJUHLHU-LLVKDONJSA-N 1 2 256.371 1.189 20 30 CDEDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](CC2(CC#N)CC2)C1 ZINC000383504930 345633722 /nfs/dbraw/zinc/63/37/22/345633722.db2.gz FWGKRHCGJUHLHU-LLVKDONJSA-N 1 2 256.371 1.189 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccsc1 ZINC000074393797 345688143 /nfs/dbraw/zinc/68/81/43/345688143.db2.gz UVQNCGPTROIGRL-UHFFFAOYSA-N 1 2 293.392 1.436 20 30 CDEDLO C=CCC1(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)CCC1 ZINC000617725896 345930656 /nfs/dbraw/zinc/93/06/56/345930656.db2.gz QGRHFEKTLPJILK-KGLIPLIRSA-N 1 2 280.412 1.958 20 30 CDEDLO C=CCC1(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)CCC1 ZINC000617725896 345930659 /nfs/dbraw/zinc/93/06/59/345930659.db2.gz QGRHFEKTLPJILK-KGLIPLIRSA-N 1 2 280.412 1.958 20 30 CDEDLO N#Cc1cccc(C[N@@H+](CC(N)=O)C2CCCC2)c1F ZINC000223532375 346058526 /nfs/dbraw/zinc/05/85/26/346058526.db2.gz ZWXIDRGBNCNQKE-UHFFFAOYSA-N 1 2 275.327 1.927 20 30 CDEDLO N#Cc1cccc(C[N@H+](CC(N)=O)C2CCCC2)c1F ZINC000223532375 346058529 /nfs/dbraw/zinc/05/85/29/346058529.db2.gz ZWXIDRGBNCNQKE-UHFFFAOYSA-N 1 2 275.327 1.927 20 30 CDEDLO C[C@@H](C#N)CN(C)C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000357824726 346098685 /nfs/dbraw/zinc/09/86/85/346098685.db2.gz LRQMRPOVKGYHIW-JQWIXIFHSA-N 1 2 275.356 1.672 20 30 CDEDLO N#CCn1c(C(=O)NCc2c[nH+]c[nH]2)cc2ccccc21 ZINC000610491351 346294086 /nfs/dbraw/zinc/29/40/86/346294086.db2.gz SQPSRNOXZMNYOO-UHFFFAOYSA-N 1 2 279.303 1.818 20 30 CDEDLO N#CCn1c(C(=O)NCc2c[nH]c[nH+]2)cc2ccccc21 ZINC000610491351 346294091 /nfs/dbraw/zinc/29/40/91/346294091.db2.gz SQPSRNOXZMNYOO-UHFFFAOYSA-N 1 2 279.303 1.818 20 30 CDEDLO COc1cc(NC(=O)C[NH2+][C@@H](C)CC#N)cc(OC)c1 ZINC000610587388 346319540 /nfs/dbraw/zinc/31/95/40/346319540.db2.gz PLTSKLVIJIZLHR-JTQLQIEISA-N 1 2 277.324 1.534 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NC(=O)NC1CCCCC1 ZINC000584788796 346435422 /nfs/dbraw/zinc/43/54/22/346435422.db2.gz RARYXPPTLUQNAE-NSHDSACASA-N 1 2 280.372 1.427 20 30 CDEDLO C=CCC[C@H]([NH2+][C@@H](C)Cn1cccn1)C(=O)OCC ZINC000449656746 362763992 /nfs/dbraw/zinc/76/39/92/362763992.db2.gz MDWKYDKEVWGJQU-STQMWFEESA-N 1 2 265.357 1.759 20 30 CDEDLO CC(C)(C)CCNC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611174825 346627973 /nfs/dbraw/zinc/62/79/73/346627973.db2.gz NRNJOEVDRNUWJM-UHFFFAOYSA-N 1 2 280.416 1.070 20 30 CDEDLO C[N@H+](CCOc1ccc(C#N)cc1)Cc1ncc[nH]1 ZINC000611191193 346684435 /nfs/dbraw/zinc/68/44/35/346684435.db2.gz GDZVPSAFXBMNHV-UHFFFAOYSA-N 1 2 256.309 1.792 20 30 CDEDLO C[N@@H+](CCOc1ccc(C#N)cc1)Cc1ncc[nH]1 ZINC000611191193 346684439 /nfs/dbraw/zinc/68/44/39/346684439.db2.gz GDZVPSAFXBMNHV-UHFFFAOYSA-N 1 2 256.309 1.792 20 30 CDEDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc(C#N)[nH]2)c1 ZINC000612345240 347123850 /nfs/dbraw/zinc/12/38/50/347123850.db2.gz DQOPWQMJJGWGNN-UHFFFAOYSA-N 1 2 255.281 1.600 20 30 CDEDLO COC(=O)c1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c[nH]1 ZINC000612405935 347149909 /nfs/dbraw/zinc/14/99/09/347149909.db2.gz FGWMGIZIPCRUFY-AWEZNQCLSA-N 1 2 261.325 1.927 20 30 CDEDLO COC(=O)c1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)c[nH]1 ZINC000612405935 347149912 /nfs/dbraw/zinc/14/99/12/347149912.db2.gz FGWMGIZIPCRUFY-AWEZNQCLSA-N 1 2 261.325 1.927 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000450117702 362796158 /nfs/dbraw/zinc/79/61/58/362796158.db2.gz UBSBZJAAAQMSKB-YJNKXOJESA-N 1 2 289.379 1.884 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1CNc1nc(NC)c2ccccc2[nH+]1 ZINC000450501211 362829738 /nfs/dbraw/zinc/82/97/38/362829738.db2.gz PEGABYCACFZJMJ-SWLSCSKDSA-N 1 2 298.390 1.908 20 30 CDEDLO N#CCNC(=O)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000066473440 347488549 /nfs/dbraw/zinc/48/85/49/347488549.db2.gz LXZAZJBPSCXMKZ-LBPRGKRZSA-N 1 2 293.392 1.369 20 30 CDEDLO N#CCNC(=O)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000066473440 347488551 /nfs/dbraw/zinc/48/85/51/347488551.db2.gz LXZAZJBPSCXMKZ-LBPRGKRZSA-N 1 2 293.392 1.369 20 30 CDEDLO C=CCOc1cccc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)c1 ZINC000355160749 365956111 /nfs/dbraw/zinc/95/61/11/365956111.db2.gz IWSGGPKUQZRIIY-BBRMVZONSA-N 1 2 277.364 1.833 20 30 CDEDLO C=CCOc1cccc(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)c1 ZINC000355160749 365956117 /nfs/dbraw/zinc/95/61/17/365956117.db2.gz IWSGGPKUQZRIIY-BBRMVZONSA-N 1 2 277.364 1.833 20 30 CDEDLO Cc1cccc(OC[C@H](O)C[N@H+](C)CCC#N)c1[N+](=O)[O-] ZINC000414122383 362921175 /nfs/dbraw/zinc/92/11/75/362921175.db2.gz FXVNUGPMNVQGLD-GFCCVEGCSA-N 1 2 293.323 1.488 20 30 CDEDLO Cc1cccc(OC[C@H](O)C[N@@H+](C)CCC#N)c1[N+](=O)[O-] ZINC000414122383 362921179 /nfs/dbraw/zinc/92/11/79/362921179.db2.gz FXVNUGPMNVQGLD-GFCCVEGCSA-N 1 2 293.323 1.488 20 30 CDEDLO Cc1cccc(OC[C@@H](O)C[N@H+](C)CCC#N)c1F ZINC000414135694 362923662 /nfs/dbraw/zinc/92/36/62/362923662.db2.gz CWJYVVHOBBOYEC-LBPRGKRZSA-N 1 2 266.316 1.719 20 30 CDEDLO Cc1cccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c1F ZINC000414135694 362923664 /nfs/dbraw/zinc/92/36/64/362923664.db2.gz CWJYVVHOBBOYEC-LBPRGKRZSA-N 1 2 266.316 1.719 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(C#N)cc1Cl ZINC000414136950 362922675 /nfs/dbraw/zinc/92/26/75/362922675.db2.gz JHPZVEVABADYKQ-LBPRGKRZSA-N 1 2 293.754 1.797 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(C#N)cc1Cl ZINC000414136950 362922680 /nfs/dbraw/zinc/92/26/80/362922680.db2.gz JHPZVEVABADYKQ-LBPRGKRZSA-N 1 2 293.754 1.797 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615535455 348578699 /nfs/dbraw/zinc/57/86/99/348578699.db2.gz BVZVSKWFZMZDPE-GOEBONIOSA-N 1 2 280.412 1.912 20 30 CDEDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)NC1(C#N)CCC1 ZINC000615678952 348645915 /nfs/dbraw/zinc/64/59/15/348645915.db2.gz REJUOVAQKTYGFJ-LBPRGKRZSA-N 1 2 297.424 1.003 20 30 CDEDLO C=CCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000046881464 348799431 /nfs/dbraw/zinc/79/94/31/348799431.db2.gz BLSVXUQACYWJNR-UHFFFAOYSA-N 1 2 260.341 1.667 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000043661271 348758646 /nfs/dbraw/zinc/75/86/46/348758646.db2.gz BCAMLUFLDCUHNO-UHFFFAOYSA-N 1 2 288.347 1.095 20 30 CDEDLO COCC[N@H+](CC(=O)N1CCC1)Cc1ccc(C#N)cc1 ZINC000063753856 348932132 /nfs/dbraw/zinc/93/21/32/348932132.db2.gz OMLOZGMPTZPGLD-UHFFFAOYSA-N 1 2 287.363 1.239 20 30 CDEDLO COCC[N@@H+](CC(=O)N1CCC1)Cc1ccc(C#N)cc1 ZINC000063753856 348932134 /nfs/dbraw/zinc/93/21/34/348932134.db2.gz OMLOZGMPTZPGLD-UHFFFAOYSA-N 1 2 287.363 1.239 20 30 CDEDLO N#CCCN(Cc1ccco1)C(=O)CCn1cc[nH+]c1 ZINC000072621979 349126723 /nfs/dbraw/zinc/12/67/23/349126723.db2.gz GCNBLIVQOQBPDI-UHFFFAOYSA-N 1 2 272.308 1.809 20 30 CDEDLO N#CCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665183 349128385 /nfs/dbraw/zinc/12/83/85/349128385.db2.gz HHRHVMCHXCSNDJ-JTQLQIEISA-N 1 2 261.285 1.390 20 30 CDEDLO N#CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665183 349128386 /nfs/dbraw/zinc/12/83/86/349128386.db2.gz HHRHVMCHXCSNDJ-JTQLQIEISA-N 1 2 261.285 1.390 20 30 CDEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](O)C2)c1C#N ZINC000091068466 349307555 /nfs/dbraw/zinc/30/75/55/349307555.db2.gz CLMWEDPZYDAUHC-CQSZACIVSA-N 1 2 282.347 1.619 20 30 CDEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](O)C2)c1C#N ZINC000091068466 349307557 /nfs/dbraw/zinc/30/75/57/349307557.db2.gz CLMWEDPZYDAUHC-CQSZACIVSA-N 1 2 282.347 1.619 20 30 CDEDLO NC(=[NH+]OC[C@H]1CNC(=O)O1)c1cccc(Cl)c1 ZINC000263846439 362946709 /nfs/dbraw/zinc/94/67/09/362946709.db2.gz BCFFWUJOHWCFCB-SECBINFHSA-N 1 2 269.688 1.085 20 30 CDEDLO N#Cc1cccc(CN2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000602593260 350130960 /nfs/dbraw/zinc/13/09/60/350130960.db2.gz WNOXCMGRVIHATJ-UHFFFAOYSA-N 1 2 293.374 1.666 20 30 CDEDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1cccc(C#N)n1 ZINC000602622487 350133397 /nfs/dbraw/zinc/13/33/97/350133397.db2.gz IVOLERKDJLWUOZ-NSHDSACASA-N 1 2 274.368 1.688 20 30 CDEDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602622487 350133399 /nfs/dbraw/zinc/13/33/99/350133399.db2.gz IVOLERKDJLWUOZ-NSHDSACASA-N 1 2 274.368 1.688 20 30 CDEDLO Cc1cc(NC(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)ncc1C#N ZINC000603138741 350214610 /nfs/dbraw/zinc/21/46/10/350214610.db2.gz WJNFJURRFANEFT-PWSUYJOCSA-N 1 2 296.334 1.708 20 30 CDEDLO COCC[N@H+](Cc1cc(C#N)ccc1F)[C@H](C)C(N)=O ZINC000106314288 186108798 /nfs/dbraw/zinc/10/87/98/186108798.db2.gz MFMAUDLPCRACGM-SNVBAGLBSA-N 1 2 279.315 1.020 20 30 CDEDLO COCC[N@@H+](Cc1cc(C#N)ccc1F)[C@H](C)C(N)=O ZINC000106314288 186108799 /nfs/dbraw/zinc/10/87/99/186108799.db2.gz MFMAUDLPCRACGM-SNVBAGLBSA-N 1 2 279.315 1.020 20 30 CDEDLO O=C(NCC#Cc1ccccc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000621509479 350624387 /nfs/dbraw/zinc/62/43/87/350624387.db2.gz FVOBRBMFTNNYGH-OAHLLOKOSA-N 1 2 279.343 1.613 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000291602477 198046814 /nfs/dbraw/zinc/04/68/14/198046814.db2.gz QRWRBAKWSIMSNF-JSGCOSHPSA-N 1 2 290.367 1.390 20 30 CDEDLO N#CCCCCS(=O)(=O)NCc1cn2ccccc2[nH+]1 ZINC000264575747 363099318 /nfs/dbraw/zinc/09/93/18/363099318.db2.gz XWBGWOMYVWFMHR-UHFFFAOYSA-N 1 2 292.364 1.448 20 30 CDEDLO CCc1nnc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000292256398 198220211 /nfs/dbraw/zinc/22/02/11/198220211.db2.gz RDUVIBASYSGBHA-GFCCVEGCSA-N 1 2 299.334 1.552 20 30 CDEDLO CCc1nnc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000292256398 198220213 /nfs/dbraw/zinc/22/02/13/198220213.db2.gz RDUVIBASYSGBHA-GFCCVEGCSA-N 1 2 299.334 1.552 20 30 CDEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cc(=O)n2[nH]ccc2n1 ZINC000109812789 358474793 /nfs/dbraw/zinc/47/47/93/358474793.db2.gz AOENWNAZZRXICR-UHFFFAOYSA-N 1 2 287.367 1.784 20 30 CDEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cc(=O)n2[nH]ccc2n1 ZINC000109812789 358474796 /nfs/dbraw/zinc/47/47/96/358474796.db2.gz AOENWNAZZRXICR-UHFFFAOYSA-N 1 2 287.367 1.784 20 30 CDEDLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000157267649 188306598 /nfs/dbraw/zinc/30/65/98/188306598.db2.gz VGBKJAQNPNNGJI-IUODEOHRSA-N 1 2 260.337 1.530 20 30 CDEDLO C[C@@H](O)C[C@@H]1COCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000157267649 188306599 /nfs/dbraw/zinc/30/65/99/188306599.db2.gz VGBKJAQNPNNGJI-IUODEOHRSA-N 1 2 260.337 1.530 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)s1)[C@H]1CCS(=O)(=O)C1 ZINC000157638177 188329483 /nfs/dbraw/zinc/32/94/83/188329483.db2.gz JSUXFJURRNXILA-VIFPVBQESA-N 1 2 270.379 1.239 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCS(=O)(=O)C1 ZINC000157638177 188329484 /nfs/dbraw/zinc/32/94/84/188329484.db2.gz JSUXFJURRNXILA-VIFPVBQESA-N 1 2 270.379 1.239 20 30 CDEDLO C=C(Br)C[N@@H+](C)CCNC(=O)C(C)C ZINC000157719804 188334902 /nfs/dbraw/zinc/33/49/02/188334902.db2.gz VNUHJDMGPXWVOJ-UHFFFAOYSA-N 1 2 263.179 1.599 20 30 CDEDLO C=C(Br)C[N@H+](C)CCNC(=O)C(C)C ZINC000157719804 188334903 /nfs/dbraw/zinc/33/49/03/188334903.db2.gz VNUHJDMGPXWVOJ-UHFFFAOYSA-N 1 2 263.179 1.599 20 30 CDEDLO CCC[N@H+](CC(N)=O)Cc1cc(C#N)ccc1OC ZINC000336819456 356283309 /nfs/dbraw/zinc/28/33/09/356283309.db2.gz ZVFHOIGKMUIKDC-UHFFFAOYSA-N 1 2 261.325 1.264 20 30 CDEDLO CCC[N@@H+](CC(N)=O)Cc1cc(C#N)ccc1OC ZINC000336819456 356283312 /nfs/dbraw/zinc/28/33/12/356283312.db2.gz ZVFHOIGKMUIKDC-UHFFFAOYSA-N 1 2 261.325 1.264 20 30 CDEDLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000559289955 356527537 /nfs/dbraw/zinc/52/75/37/356527537.db2.gz GNRKWZDQCUPZPV-BTDLBPIBSA-N 1 2 251.355 1.152 20 30 CDEDLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000559289955 356527540 /nfs/dbraw/zinc/52/75/40/356527540.db2.gz GNRKWZDQCUPZPV-BTDLBPIBSA-N 1 2 251.355 1.152 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N1CCc2ccc(C#N)cc21 ZINC000328815055 202069622 /nfs/dbraw/zinc/06/96/22/202069622.db2.gz GGUPLNQXRZVYKX-UHFFFAOYSA-N 1 2 280.331 1.814 20 30 CDEDLO Cc1ccnc(N[C@H](C)C[NH+]2CCOCC2)c1C#N ZINC000135068480 357413955 /nfs/dbraw/zinc/41/39/55/357413955.db2.gz WHFLKLKYOOTAIN-GFCCVEGCSA-N 1 2 260.341 1.394 20 30 CDEDLO N#Cc1cc(N2CCC(n3cc[nH+]c3)CC2)ccn1 ZINC000283790896 357602759 /nfs/dbraw/zinc/60/27/59/357602759.db2.gz RYCNRFRQMUCIML-UHFFFAOYSA-N 1 2 253.309 1.991 20 30 CDEDLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000334684966 357620432 /nfs/dbraw/zinc/62/04/32/357620432.db2.gz YKLOFHREVSNBTM-HNNXBMFYSA-N 1 2 286.379 1.794 20 30 CDEDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000334684966 357620435 /nfs/dbraw/zinc/62/04/35/357620435.db2.gz YKLOFHREVSNBTM-HNNXBMFYSA-N 1 2 286.379 1.794 20 30 CDEDLO CCS(=O)(=O)CC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000187700689 357797485 /nfs/dbraw/zinc/79/74/85/357797485.db2.gz UEBRENCYJAVOFO-LBPRGKRZSA-N 1 2 280.393 1.986 20 30 CDEDLO CCS(=O)(=O)CC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000187700689 357797492 /nfs/dbraw/zinc/79/74/92/357797492.db2.gz UEBRENCYJAVOFO-LBPRGKRZSA-N 1 2 280.393 1.986 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2ccc(OC)c(C#N)c2)C[C@@H](C)O1 ZINC000189374032 358001569 /nfs/dbraw/zinc/00/15/69/358001569.db2.gz RCUPETPWCDOOBN-IUODEOHRSA-N 1 2 290.363 1.803 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2ccc(OC)c(C#N)c2)C[C@@H](C)O1 ZINC000189374032 358001574 /nfs/dbraw/zinc/00/15/74/358001574.db2.gz RCUPETPWCDOOBN-IUODEOHRSA-N 1 2 290.363 1.803 20 30 CDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cccc(F)c1C#N ZINC000286437647 291131051 /nfs/dbraw/zinc/13/10/51/291131051.db2.gz SIVGGNKBZOMQJC-STQMWFEESA-N 1 2 289.354 1.997 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000192228075 358181818 /nfs/dbraw/zinc/18/18/18/358181818.db2.gz QAXOAUBNTPBKKM-CQSZACIVSA-N 1 2 299.374 1.895 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000192228075 358181822 /nfs/dbraw/zinc/18/18/22/358181822.db2.gz QAXOAUBNTPBKKM-CQSZACIVSA-N 1 2 299.374 1.895 20 30 CDEDLO C#CCO[C@H](C)C(=O)NCCCNc1cccc[nH+]1 ZINC000294789168 199183260 /nfs/dbraw/zinc/18/32/60/199183260.db2.gz DGJSRLXHQYBVDV-GFCCVEGCSA-N 1 2 261.325 1.038 20 30 CDEDLO COc1ccccc1[C@@H](NC(=O)CC#N)c1[nH+]ccn1C ZINC000369014912 358675617 /nfs/dbraw/zinc/67/56/17/358675617.db2.gz CLKQYBQUVLLBLZ-CQSZACIVSA-N 1 2 284.319 1.548 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000494869340 366513677 /nfs/dbraw/zinc/51/36/77/366513677.db2.gz CTSJVESQHAXOPO-CABCVRRESA-N 1 2 294.443 1.372 20 30 CDEDLO COc1cc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)ccc1C#N ZINC000234936501 359020111 /nfs/dbraw/zinc/02/01/11/359020111.db2.gz WMWBANCQMUMRFZ-CYBMUJFWSA-N 1 2 294.376 1.186 20 30 CDEDLO COc1cc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)ccc1C#N ZINC000234936501 359020118 /nfs/dbraw/zinc/02/01/18/359020118.db2.gz WMWBANCQMUMRFZ-CYBMUJFWSA-N 1 2 294.376 1.186 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](C(=O)OC)CC[N@@H+]1CCC(C)(C)C#N ZINC000346963430 359113048 /nfs/dbraw/zinc/11/30/48/359113048.db2.gz MQWXEXVNDKUTCX-NWDGAFQWSA-N 1 2 296.367 1.353 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](C(=O)OC)CC[N@H+]1CCC(C)(C)C#N ZINC000346963430 359113052 /nfs/dbraw/zinc/11/30/52/359113052.db2.gz MQWXEXVNDKUTCX-NWDGAFQWSA-N 1 2 296.367 1.353 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@](F)(C(=O)OC)C1 ZINC000267641122 359354153 /nfs/dbraw/zinc/35/41/53/359354153.db2.gz IUOYJRFZZVEQCH-SWLSCSKDSA-N 1 2 298.358 1.163 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@](F)(C(=O)OC)C1 ZINC000267641122 359354159 /nfs/dbraw/zinc/35/41/59/359354159.db2.gz IUOYJRFZZVEQCH-SWLSCSKDSA-N 1 2 298.358 1.163 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCc1[nH+]ccn1C)OCC ZINC000270020293 359382381 /nfs/dbraw/zinc/38/23/81/359382381.db2.gz DHOPWYMIBKYBAK-LLVKDONJSA-N 1 2 251.330 1.408 20 30 CDEDLO C#CC[NH+]1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000272269961 359451842 /nfs/dbraw/zinc/45/18/42/359451842.db2.gz AZHXOWSTDWHHQX-AWEZNQCLSA-N 1 2 291.782 1.117 20 30 CDEDLO C=CC[N@@H+](CCc1ccco1)Cc1nnc(C)n1C ZINC000272343739 359454389 /nfs/dbraw/zinc/45/43/89/359454389.db2.gz ZECJQHPZZYGNAX-UHFFFAOYSA-N 1 2 260.341 1.947 20 30 CDEDLO C=CC[N@H+](CCc1ccco1)Cc1nnc(C)n1C ZINC000272343739 359454395 /nfs/dbraw/zinc/45/43/95/359454395.db2.gz ZECJQHPZZYGNAX-UHFFFAOYSA-N 1 2 260.341 1.947 20 30 CDEDLO Cc1[nH]ncc1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000571316086 359559273 /nfs/dbraw/zinc/55/92/73/359559273.db2.gz SSQYNMHZWQMFFW-CQSZACIVSA-N 1 2 286.335 1.119 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccoc2Cl)CC1 ZINC000277536752 359564509 /nfs/dbraw/zinc/56/45/09/359564509.db2.gz WLGWVCKNXBBELL-UHFFFAOYSA-N 1 2 266.728 1.714 20 30 CDEDLO N#Cc1ccc(C[NH2+]Cc2nnnn2CC2CC2)s1 ZINC000571705989 359604182 /nfs/dbraw/zinc/60/41/82/359604182.db2.gz WXKVGHVSZVQZOX-UHFFFAOYSA-N 1 2 274.353 1.306 20 30 CDEDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1CC1(C#N)CC1 ZINC000495774440 366538983 /nfs/dbraw/zinc/53/89/83/366538983.db2.gz MGIUKIIJVPGJPU-LLVKDONJSA-N 1 2 251.330 1.501 20 30 CDEDLO CNC(=O)OC[C@H]1CCCC[N@H+]1CC1(C#N)CC1 ZINC000495774440 366538990 /nfs/dbraw/zinc/53/89/90/366538990.db2.gz MGIUKIIJVPGJPU-LLVKDONJSA-N 1 2 251.330 1.501 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cccnc2OC)C1=O ZINC000337199222 360021490 /nfs/dbraw/zinc/02/14/90/360021490.db2.gz ASANCLPFAMACSQ-CYBMUJFWSA-N 1 2 275.352 1.309 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cccnc2OC)C1=O ZINC000337199222 360021492 /nfs/dbraw/zinc/02/14/92/360021492.db2.gz ASANCLPFAMACSQ-CYBMUJFWSA-N 1 2 275.352 1.309 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)NCCCC)C1=O ZINC000337203611 360025180 /nfs/dbraw/zinc/02/51/80/360025180.db2.gz GRSTYNKBFXGWLJ-CHWSQXEVSA-N 1 2 281.400 1.010 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)NCCCC)C1=O ZINC000337203611 360025183 /nfs/dbraw/zinc/02/51/83/360025183.db2.gz GRSTYNKBFXGWLJ-CHWSQXEVSA-N 1 2 281.400 1.010 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1cccnc1 ZINC000348362930 360027840 /nfs/dbraw/zinc/02/78/40/360027840.db2.gz CZZUZMMRLGIVJL-CJNGLKHVSA-N 1 2 288.395 1.956 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1cccnc1 ZINC000348362930 360027843 /nfs/dbraw/zinc/02/78/43/360027843.db2.gz CZZUZMMRLGIVJL-CJNGLKHVSA-N 1 2 288.395 1.956 20 30 CDEDLO CN(C)c1nccc(C[NH+]2CCC(F)(C#N)CC2)n1 ZINC000348710223 360524633 /nfs/dbraw/zinc/52/46/33/360524633.db2.gz OCHGGDCNXSUPDO-UHFFFAOYSA-N 1 2 263.320 1.370 20 30 CDEDLO CC[N@H+](CCC#N)Cc1ccccc1OCC(=O)N(C)C ZINC000127643555 360648503 /nfs/dbraw/zinc/64/85/03/360648503.db2.gz XNCGMSBZGNEXHE-UHFFFAOYSA-N 1 2 289.379 1.889 20 30 CDEDLO CC[N@@H+](CCC#N)Cc1ccccc1OCC(=O)N(C)C ZINC000127643555 360648505 /nfs/dbraw/zinc/64/85/05/360648505.db2.gz XNCGMSBZGNEXHE-UHFFFAOYSA-N 1 2 289.379 1.889 20 30 CDEDLO CCOc1ccnc(N2CCC[N@H+](CCC#N)CC2)n1 ZINC000128624825 360745779 /nfs/dbraw/zinc/74/57/79/360745779.db2.gz IGXCLXYIIFMVNH-UHFFFAOYSA-N 1 2 275.356 1.301 20 30 CDEDLO CCOc1ccnc(N2CCC[N@@H+](CCC#N)CC2)n1 ZINC000128624825 360745786 /nfs/dbraw/zinc/74/57/86/360745786.db2.gz IGXCLXYIIFMVNH-UHFFFAOYSA-N 1 2 275.356 1.301 20 30 CDEDLO C[C@@H]1CC[C@H](CCC(=O)N[C@](C)(C#N)C[NH+](C)C)O1 ZINC000563220520 360882502 /nfs/dbraw/zinc/88/25/02/360882502.db2.gz PTSBDSNAUICZKB-YRGRVCCFSA-N 1 2 267.373 1.294 20 30 CDEDLO N#Cc1cccc([C@@H]2CN(Cc3[nH]cc[nH+]3)CCO2)c1 ZINC000367128900 360944510 /nfs/dbraw/zinc/94/45/10/360944510.db2.gz JAZVURLSSOBBHQ-AWEZNQCLSA-N 1 2 268.320 1.855 20 30 CDEDLO C#CC[NH+]1CCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000157932585 361046138 /nfs/dbraw/zinc/04/61/38/361046138.db2.gz WFEAOYKUIBEFSG-UHFFFAOYSA-N 1 2 264.398 1.591 20 30 CDEDLO CCCOc1ccc(/C=[NH+]/Cc2ncn(C)n2)c(O)c1 ZINC000131242302 361063326 /nfs/dbraw/zinc/06/33/26/361063326.db2.gz INSAPUJJHOQRFH-OVCLIPMQSA-N 1 2 274.324 1.929 20 30 CDEDLO Cc1c(C#N)cccc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000178640785 238382113 /nfs/dbraw/zinc/38/21/13/238382113.db2.gz JYSCSJCFQVSRQO-CYBMUJFWSA-N 1 2 259.309 1.136 20 30 CDEDLO Cc1c(C#N)cccc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000178640785 238382115 /nfs/dbraw/zinc/38/21/15/238382115.db2.gz JYSCSJCFQVSRQO-CYBMUJFWSA-N 1 2 259.309 1.136 20 30 CDEDLO COC(=O)[C@@H]([NH+]1CCC(C#N)CC1)C1(OC)CCC1 ZINC000331971344 291257757 /nfs/dbraw/zinc/25/77/57/291257757.db2.gz LMJWTENQWZKFMN-GFCCVEGCSA-N 1 2 266.341 1.333 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000267677357 361283372 /nfs/dbraw/zinc/28/33/72/361283372.db2.gz PTGANNJVTXABQP-HNNXBMFYSA-N 1 2 292.310 1.524 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000267677357 361283377 /nfs/dbraw/zinc/28/33/77/361283377.db2.gz PTGANNJVTXABQP-HNNXBMFYSA-N 1 2 292.310 1.524 20 30 CDEDLO Cc1cc(C)cc(OC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000435533907 361411654 /nfs/dbraw/zinc/41/16/54/361411654.db2.gz KRGKBKWOLZZVCI-CQSZACIVSA-N 1 2 262.353 1.889 20 30 CDEDLO Cc1cc(C)cc(OC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000435533907 361411656 /nfs/dbraw/zinc/41/16/56/361411656.db2.gz KRGKBKWOLZZVCI-CQSZACIVSA-N 1 2 262.353 1.889 20 30 CDEDLO N#CCSCC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000041807503 361433952 /nfs/dbraw/zinc/43/39/52/361433952.db2.gz VGWIOGSZZNVVSP-UHFFFAOYSA-N 1 2 274.349 1.250 20 30 CDEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)C[C@H]1CCCO1 ZINC000329364624 361490270 /nfs/dbraw/zinc/49/02/70/361490270.db2.gz HYLKDOXYOXNMKN-JHJVBQTASA-N 1 2 270.373 1.621 20 30 CDEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)C[C@H]1CCCO1 ZINC000329364624 361490277 /nfs/dbraw/zinc/49/02/77/361490277.db2.gz HYLKDOXYOXNMKN-JHJVBQTASA-N 1 2 270.373 1.621 20 30 CDEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)[C@@H]2COC[C@H]2O)[C@@H]1C ZINC000329187763 361455919 /nfs/dbraw/zinc/45/59/19/361455919.db2.gz QFSGSLFWZYAZBA-RKQHYHRCSA-N 1 2 284.400 1.459 20 30 CDEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)[C@@H]2COC[C@H]2O)[C@@H]1C ZINC000329187763 361455925 /nfs/dbraw/zinc/45/59/25/361455925.db2.gz QFSGSLFWZYAZBA-RKQHYHRCSA-N 1 2 284.400 1.459 20 30 CDEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCc1cscn1 ZINC000329395949 361498942 /nfs/dbraw/zinc/49/89/42/361498942.db2.gz UFWBCMUXTFAUQI-LLVKDONJSA-N 1 2 269.370 1.363 20 30 CDEDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCc1cscn1 ZINC000329395949 361498946 /nfs/dbraw/zinc/49/89/46/361498946.db2.gz UFWBCMUXTFAUQI-LLVKDONJSA-N 1 2 269.370 1.363 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000159026633 361509054 /nfs/dbraw/zinc/50/90/54/361509054.db2.gz WWFJXZNSOONZMU-UHFFFAOYSA-N 1 2 260.312 1.607 20 30 CDEDLO N#Cc1ccc2nc(NCC[NH+]3CCOCC3)ccc2c1 ZINC000301807070 201211224 /nfs/dbraw/zinc/21/12/24/201211224.db2.gz FQMZGTHJQCRJKQ-UHFFFAOYSA-N 1 2 282.347 1.851 20 30 CDEDLO CCCc1nc(C)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)s1 ZINC000572575997 370757880 /nfs/dbraw/zinc/75/78/80/370757880.db2.gz CVJNPWVDLMKUHV-AWEZNQCLSA-N 1 2 294.424 1.978 20 30 CDEDLO C[C@H]1C[C@H](NC(=O)COc2ccc(C#N)cc2)c2[nH+]ccn21 ZINC000456401006 364313282 /nfs/dbraw/zinc/31/32/82/364313282.db2.gz VLWHYYFWRNWMRC-FZMZJTMJSA-N 1 2 296.330 1.956 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@@H]1C ZINC000639689250 364410858 /nfs/dbraw/zinc/41/08/58/364410858.db2.gz YJQBKUZCTLHMEB-HZSPNIEDSA-N 1 2 295.427 1.351 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@@H]1C ZINC000639689250 364410865 /nfs/dbraw/zinc/41/08/65/364410865.db2.gz YJQBKUZCTLHMEB-HZSPNIEDSA-N 1 2 295.427 1.351 20 30 CDEDLO C[C@H]([C@H](C)Nc1ncccc1C#N)[NH+]1CCOCC1 ZINC000264316576 364937407 /nfs/dbraw/zinc/93/74/07/364937407.db2.gz UKNDTFPVOAQMQB-NWDGAFQWSA-N 1 2 260.341 1.474 20 30 CDEDLO CC[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCNC1=O ZINC000270749226 366927735 /nfs/dbraw/zinc/92/77/35/366927735.db2.gz JPEFSFBZHNBCRU-CYBMUJFWSA-N 1 2 261.300 1.408 20 30 CDEDLO CC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCNC1=O ZINC000270749226 366927739 /nfs/dbraw/zinc/92/77/39/366927739.db2.gz JPEFSFBZHNBCRU-CYBMUJFWSA-N 1 2 261.300 1.408 20 30 CDEDLO Cc1n[nH]cc1C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000271018606 366955339 /nfs/dbraw/zinc/95/53/39/366955339.db2.gz ABDFGVJLYIRWLK-UHFFFAOYSA-N 1 2 295.390 1.908 20 30 CDEDLO C#CC[NH+]1CCN(Cn2ccc(C(F)(F)F)n2)CC1 ZINC000303024584 367026800 /nfs/dbraw/zinc/02/68/00/367026800.db2.gz VLFQKDHQLZRABB-UHFFFAOYSA-N 1 2 272.274 1.110 20 30 CDEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc1F ZINC000567052737 370867726 /nfs/dbraw/zinc/86/77/26/370867726.db2.gz IODKNPBPROCRPH-AWEZNQCLSA-N 1 2 263.316 1.708 20 30 CDEDLO CC(=O)Nc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000567104510 370882104 /nfs/dbraw/zinc/88/21/04/370882104.db2.gz RANCDHINNIKVKY-HNNXBMFYSA-N 1 2 290.367 1.263 20 30 CDEDLO CC(=O)Nc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000567104510 370882109 /nfs/dbraw/zinc/88/21/09/370882109.db2.gz RANCDHINNIKVKY-HNNXBMFYSA-N 1 2 290.367 1.263 20 30 CDEDLO N#CCCCc1nc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000361261435 368716700 /nfs/dbraw/zinc/71/67/00/368716700.db2.gz JLJOVTJWIBZOIF-NEPJUHHUSA-N 1 2 276.340 1.842 20 30 CDEDLO N#CCCCc1nc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000361261435 368716708 /nfs/dbraw/zinc/71/67/08/368716708.db2.gz JLJOVTJWIBZOIF-NEPJUHHUSA-N 1 2 276.340 1.842 20 30 CDEDLO CC(=O)c1ccc(C#N)c(NCC[N@H+]2CCOC[C@H]2C)c1 ZINC000347401351 370938656 /nfs/dbraw/zinc/93/86/56/370938656.db2.gz BVFQAEIVUDTRKU-GFCCVEGCSA-N 1 2 287.363 1.893 20 30 CDEDLO CC(=O)c1ccc(C#N)c(NCC[N@@H+]2CCOC[C@H]2C)c1 ZINC000347401351 370938660 /nfs/dbraw/zinc/93/86/60/370938660.db2.gz BVFQAEIVUDTRKU-GFCCVEGCSA-N 1 2 287.363 1.893 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@H]2C[C@H](OC(C)(C)C)C2)nn1 ZINC000630614375 369407417 /nfs/dbraw/zinc/40/74/17/369407417.db2.gz HTYGJTODSMGYFZ-HDJSIYSDSA-N 1 2 276.384 1.910 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1cccc(Cl)c1 ZINC000564872414 370282697 /nfs/dbraw/zinc/28/26/97/370282697.db2.gz KSHSGTAOOWAVRM-CQSZACIVSA-N 1 2 279.771 1.843 20 30 CDEDLO CCc1ccccc1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000567995301 371194303 /nfs/dbraw/zinc/19/43/03/371194303.db2.gz HGUAGOBUVRSDHV-INIZCTEOSA-N 1 2 273.380 1.752 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cn1ccc2ccccc21 ZINC000578656455 372534762 /nfs/dbraw/zinc/53/47/62/372534762.db2.gz WZQTVFSKKPZNKT-MRXNPFEDSA-N 1 2 284.363 1.601 20 30 CDEDLO Cc1cc(=NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[nH]n1CCC#N ZINC000579139314 372553082 /nfs/dbraw/zinc/55/30/82/372553082.db2.gz DAHDSVVLVWTICS-SNVBAGLBSA-N 1 2 286.339 1.068 20 30 CDEDLO Cc1cc(=NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[nH]n1CCC#N ZINC000579139314 372553090 /nfs/dbraw/zinc/55/30/90/372553090.db2.gz DAHDSVVLVWTICS-SNVBAGLBSA-N 1 2 286.339 1.068 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181253407 372569213 /nfs/dbraw/zinc/56/92/13/372569213.db2.gz BGRRURPKWNWAHG-JTQLQIEISA-N 1 2 280.290 1.042 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181253407 372569219 /nfs/dbraw/zinc/56/92/19/372569219.db2.gz BGRRURPKWNWAHG-JTQLQIEISA-N 1 2 280.290 1.042 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000185119131 372659974 /nfs/dbraw/zinc/65/99/74/372659974.db2.gz XAAGIXRUIFYJPR-XIKOKIGWSA-N 1 2 274.430 1.110 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000185119131 372659983 /nfs/dbraw/zinc/65/99/83/372659983.db2.gz XAAGIXRUIFYJPR-XIKOKIGWSA-N 1 2 274.430 1.110 20 30 CDEDLO CCOC(=O)[C@H](C)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000348249416 373098521 /nfs/dbraw/zinc/09/85/21/373098521.db2.gz YSZXQUZSKHVEEJ-LBPRGKRZSA-N 1 2 276.336 1.820 20 30 CDEDLO CCOC(=O)[C@H](C)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000348249416 373098522 /nfs/dbraw/zinc/09/85/22/373098522.db2.gz YSZXQUZSKHVEEJ-LBPRGKRZSA-N 1 2 276.336 1.820 20 30 CDEDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cnn(C)c1 ZINC000348306280 373101948 /nfs/dbraw/zinc/10/19/48/373101948.db2.gz DAFLOSQITYJDBW-YGRLFVJLSA-N 1 2 283.335 1.169 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c1F ZINC000348763045 373640960 /nfs/dbraw/zinc/64/09/60/373640960.db2.gz MMEOWUPNRJZFEH-AWEZNQCLSA-N 1 2 275.327 1.214 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCN3CCOC[C@@H]3C2)c1F ZINC000348763045 373640966 /nfs/dbraw/zinc/64/09/66/373640966.db2.gz MMEOWUPNRJZFEH-AWEZNQCLSA-N 1 2 275.327 1.214 20 30 CDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000299353839 373902987 /nfs/dbraw/zinc/90/29/87/373902987.db2.gz CSCDYIQZBRURFT-JKSUJKDBSA-N 1 2 299.374 1.428 20 30 CDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000299353839 373902989 /nfs/dbraw/zinc/90/29/89/373902989.db2.gz CSCDYIQZBRURFT-JKSUJKDBSA-N 1 2 299.374 1.428 20 30 CDEDLO N#Cc1nc(NCCNc2cccc[nH+]2)ccc1Cl ZINC000357241068 373900961 /nfs/dbraw/zinc/90/09/61/373900961.db2.gz JWUBFEQQOUFVER-UHFFFAOYSA-N 1 2 273.727 1.948 20 30 CDEDLO Cc1[nH][nH]c(=NC(=O)C2CC[NH+](C(C)C)CC2)c1C#N ZINC000357238749 373901732 /nfs/dbraw/zinc/90/17/32/373901732.db2.gz GIKVASCWYULMQF-UHFFFAOYSA-N 1 2 275.356 1.071 20 30 CDEDLO COCC[N@H+](CCOc1ccc(C#N)cc1)CC(=O)OC ZINC000074321492 374129044 /nfs/dbraw/zinc/12/90/44/374129044.db2.gz OWPNQVSTXVUCDQ-UHFFFAOYSA-N 1 2 292.335 1.058 20 30 CDEDLO COCC[N@@H+](CCOc1ccc(C#N)cc1)CC(=O)OC ZINC000074321492 374129050 /nfs/dbraw/zinc/12/90/50/374129050.db2.gz OWPNQVSTXVUCDQ-UHFFFAOYSA-N 1 2 292.335 1.058 20 30 CDEDLO N#Cc1cnc(N2CC[NH+](Cc3ccccn3)CC2)c(F)c1 ZINC000413038130 374203930 /nfs/dbraw/zinc/20/39/30/374203930.db2.gz TUALZTZZECJTGZ-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO N#Cc1ccncc1N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000369082904 374345666 /nfs/dbraw/zinc/34/56/66/374345666.db2.gz GYVLXFZKLFTVTQ-AWEZNQCLSA-N 1 2 283.335 1.626 20 30 CDEDLO Cc1ncc(C[NH2+]Cc2nc(C#N)cs2)c(=O)[nH]1 ZINC000352826066 374365256 /nfs/dbraw/zinc/36/52/56/374365256.db2.gz VOQYKINGXRWDGP-UHFFFAOYSA-N 1 2 261.310 1.109 20 30 CDEDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000371325330 374416105 /nfs/dbraw/zinc/41/61/05/374416105.db2.gz DFBUJIDRBKNMFS-GFCCVEGCSA-N 1 2 299.421 1.133 20 30 CDEDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000371325330 374416112 /nfs/dbraw/zinc/41/61/12/374416112.db2.gz DFBUJIDRBKNMFS-GFCCVEGCSA-N 1 2 299.421 1.133 20 30 CDEDLO N#CC1(C(=O)NCCCCn2cc[nH+]c2)CCCC1 ZINC000045109479 412824730 /nfs/dbraw/zinc/82/47/30/412824730.db2.gz RBXHWVNPLBNEHU-UHFFFAOYSA-N 1 2 260.341 1.863 20 30 CDEDLO CC[C@@H]1CC[C@@H](C(=O)NCc2c[nH+]c(C)nc2N)O1 ZINC000328592060 374710502 /nfs/dbraw/zinc/71/05/02/374710502.db2.gz SYMRAOBBNUPAMG-MNOVXSKESA-N 1 2 264.329 1.612 20 30 CDEDLO CCN1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328615400 374718894 /nfs/dbraw/zinc/71/88/94/374718894.db2.gz AVSOPKXQKIDVQF-CYBMUJFWSA-N 1 2 298.350 1.128 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[S@@](=O)C[C@@H](C)C2)cc1C#N ZINC000277326919 374781731 /nfs/dbraw/zinc/78/17/31/374781731.db2.gz CKOVQDGJHGMYCB-FKIZINRSSA-N 1 2 292.404 1.767 20 30 CDEDLO COc1ccc(C[N@H+]2CC[S@@](=O)C[C@@H](C)C2)cc1C#N ZINC000277326919 374781741 /nfs/dbraw/zinc/78/17/41/374781741.db2.gz CKOVQDGJHGMYCB-FKIZINRSSA-N 1 2 292.404 1.767 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCn2cnnc2C1 ZINC000120878454 374847960 /nfs/dbraw/zinc/84/79/60/374847960.db2.gz XNFAZZPVONZAES-UHFFFAOYSA-N 1 2 269.308 1.174 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCn2cnnc2C1 ZINC000120878454 374847964 /nfs/dbraw/zinc/84/79/64/374847964.db2.gz XNFAZZPVONZAES-UHFFFAOYSA-N 1 2 269.308 1.174 20 30 CDEDLO CN(CC[NH+]1CCOCC1)c1nc(Cl)c(C#N)s1 ZINC000279550415 374921314 /nfs/dbraw/zinc/92/13/14/374921314.db2.gz WMLAJOYVMWNYIJ-UHFFFAOYSA-N 1 2 286.788 1.437 20 30 CDEDLO COc1cc(C[N@@H+]2CC[C@@H](C)[S@](=O)CC2)ccc1C#N ZINC000282451352 375085292 /nfs/dbraw/zinc/08/52/92/375085292.db2.gz VBHOWIAREUKPGO-MPBGBICISA-N 1 2 292.404 1.910 20 30 CDEDLO COc1cc(C[N@H+]2CC[C@@H](C)[S@](=O)CC2)ccc1C#N ZINC000282451352 375085301 /nfs/dbraw/zinc/08/53/01/375085301.db2.gz VBHOWIAREUKPGO-MPBGBICISA-N 1 2 292.404 1.910 20 30 CDEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000602868768 542004560 /nfs/dbraw/zinc/00/45/60/542004560.db2.gz ILUODXUPFHNCLW-UHFFFAOYSA-N 1 2 298.350 1.007 20 30 CDEDLO CC(=O)Nc1cccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000328675306 375918505 /nfs/dbraw/zinc/91/85/05/375918505.db2.gz KNIWEVZBZYMBOZ-GASCZTMLSA-N 1 2 276.336 1.894 20 30 CDEDLO CC(=O)Nc1cccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000328675306 375918516 /nfs/dbraw/zinc/91/85/16/375918516.db2.gz KNIWEVZBZYMBOZ-GASCZTMLSA-N 1 2 276.336 1.894 20 30 CDEDLO C[C@@H]1C(=O)NCCN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328600008 375920662 /nfs/dbraw/zinc/92/06/62/375920662.db2.gz CPYGUUGEMIJYNJ-MNOVXSKESA-N 1 2 291.355 1.335 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[C@H]1CCO ZINC000328868903 375995708 /nfs/dbraw/zinc/99/57/08/375995708.db2.gz XNROCVVLKWBBCN-WCQYABFASA-N 1 2 265.357 1.860 20 30 CDEDLO NC(=O)N[C@H]1CC[N@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000328938056 376014537 /nfs/dbraw/zinc/01/45/37/376014537.db2.gz RKXHFBIBQOEECR-NSHDSACASA-N 1 2 280.372 1.288 20 30 CDEDLO NC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000328938056 376014545 /nfs/dbraw/zinc/01/45/45/376014545.db2.gz RKXHFBIBQOEECR-NSHDSACASA-N 1 2 280.372 1.288 20 30 CDEDLO CN1CCOC[C@H]1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000328944676 376016279 /nfs/dbraw/zinc/01/62/79/376016279.db2.gz UVSRCYGBCSNSSI-JTQLQIEISA-N 1 2 296.396 1.050 20 30 CDEDLO CN1CCOC[C@H]1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000328944676 376016283 /nfs/dbraw/zinc/01/62/83/376016283.db2.gz UVSRCYGBCSNSSI-JTQLQIEISA-N 1 2 296.396 1.050 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)NC[C@@](C)(O)C1CC1 ZINC000328843793 375983327 /nfs/dbraw/zinc/98/33/27/375983327.db2.gz PQMYRMVQLWSJKC-CYBMUJFWSA-N 1 2 251.330 1.470 20 30 CDEDLO C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1cn[nH]c1 ZINC000328864267 375990299 /nfs/dbraw/zinc/99/02/99/375990299.db2.gz MWBPIWRDCVKBMK-UWVGGRQHSA-N 1 2 259.313 1.886 20 30 CDEDLO C=CCCn1cc(CNc2cc[nH+]c(C(C)(C)C)n2)nn1 ZINC000631312369 376090938 /nfs/dbraw/zinc/09/09/38/376090938.db2.gz AHQJLLKLNTWBCF-UHFFFAOYSA-N 1 2 286.383 1.976 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000360255451 376932213 /nfs/dbraw/zinc/93/22/13/376932213.db2.gz HEOVGCREMISWEF-OAHLLOKOSA-N 1 2 287.363 1.285 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000360255451 376932222 /nfs/dbraw/zinc/93/22/22/376932222.db2.gz HEOVGCREMISWEF-OAHLLOKOSA-N 1 2 287.363 1.285 20 30 CDEDLO C#CCSCCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000130437611 377566847 /nfs/dbraw/zinc/56/68/47/377566847.db2.gz ZVHAMIRIVBJKSW-UHFFFAOYSA-N 1 2 273.361 1.359 20 30 CDEDLO C=CCNC(=O)c1ccc(N(C)CCCn2cc[nH+]c2)nc1 ZINC000133042394 377830033 /nfs/dbraw/zinc/83/00/33/377830033.db2.gz QGAPIWBEYXCDDY-UHFFFAOYSA-N 1 2 299.378 1.720 20 30 CDEDLO C[C@@H]1CCCC[C@H]1OCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000572291549 377874724 /nfs/dbraw/zinc/87/47/24/377874724.db2.gz QYGIYRSJNLZIIZ-NFAWXSAZSA-N 1 2 281.400 1.542 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CC=C)CC1 ZINC000282432523 378040090 /nfs/dbraw/zinc/04/00/90/378040090.db2.gz YVVAFKYZMXMYJB-UHFFFAOYSA-N 1 2 287.411 1.517 20 30 CDEDLO C=CCN1CC[C@@H](N2CCN(C)c3[nH+]cccc32)C1=O ZINC000282009952 378020314 /nfs/dbraw/zinc/02/03/14/378020314.db2.gz OILMXNGHPNEOQL-CYBMUJFWSA-N 1 2 272.352 1.125 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3F)n2C)CC1 ZINC000283721128 378117146 /nfs/dbraw/zinc/11/71/46/378117146.db2.gz BDRBGKPHQGRVKG-UHFFFAOYSA-N 1 2 299.353 1.376 20 30 CDEDLO CC#CC[C@H](CO)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000645404415 378157591 /nfs/dbraw/zinc/15/75/91/378157591.db2.gz HYAMDSCWRQUUPB-CYBMUJFWSA-N 1 2 274.368 1.653 20 30 CDEDLO CC#CC[C@H](CO)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000645404415 378157594 /nfs/dbraw/zinc/15/75/94/378157594.db2.gz HYAMDSCWRQUUPB-CYBMUJFWSA-N 1 2 274.368 1.653 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3cccnn3)CC2)cc1F ZINC000191981552 378168861 /nfs/dbraw/zinc/16/88/61/378168861.db2.gz HBOOARNNFZPNIR-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccnn1C1CCCC1 ZINC000192239010 378178328 /nfs/dbraw/zinc/17/83/28/378178328.db2.gz RPOMRJNOMZQKEF-UHFFFAOYSA-N 1 2 260.341 1.502 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccnn1C1CCCC1 ZINC000192239010 378178335 /nfs/dbraw/zinc/17/83/35/378178335.db2.gz RPOMRJNOMZQKEF-UHFFFAOYSA-N 1 2 260.341 1.502 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCc2ccc(OC)cc2C1 ZINC000065163478 378487943 /nfs/dbraw/zinc/48/79/43/378487943.db2.gz XELIQRRNUAWHSH-UHFFFAOYSA-N 1 2 260.337 1.356 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCc2ccc(OC)cc2C1 ZINC000065163478 378487947 /nfs/dbraw/zinc/48/79/47/378487947.db2.gz XELIQRRNUAWHSH-UHFFFAOYSA-N 1 2 260.337 1.356 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000293443748 378567630 /nfs/dbraw/zinc/56/76/30/378567630.db2.gz MKQJBXNWRYDNMR-NSHDSACASA-N 1 2 279.340 1.212 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000293443748 378567636 /nfs/dbraw/zinc/56/76/36/378567636.db2.gz MKQJBXNWRYDNMR-NSHDSACASA-N 1 2 279.340 1.212 20 30 CDEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185333056 378653671 /nfs/dbraw/zinc/65/36/71/378653671.db2.gz GOAIUNXAIVLFHO-SNVBAGLBSA-N 1 2 279.290 1.394 20 30 CDEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185333056 378653673 /nfs/dbraw/zinc/65/36/73/378653673.db2.gz GOAIUNXAIVLFHO-SNVBAGLBSA-N 1 2 279.290 1.394 20 30 CDEDLO C#C[C@H](C)NC(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000185993076 378834381 /nfs/dbraw/zinc/83/43/81/378834381.db2.gz GKZODJDYULUNNE-NSHDSACASA-N 1 2 255.321 1.737 20 30 CDEDLO C#C[C@@H](C)NC(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000185993095 378835034 /nfs/dbraw/zinc/83/50/34/378835034.db2.gz GKZODJDYULUNNE-LLVKDONJSA-N 1 2 255.321 1.737 20 30 CDEDLO C=C[C@H](C)NC(=O)[C@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000343652139 378943116 /nfs/dbraw/zinc/94/31/16/378943116.db2.gz CZDNFQGHDIODFG-AGIUHOORSA-N 1 2 259.353 1.845 20 30 CDEDLO COC(C[NH+]1CCN(c2snc(C)c2C#N)CC1)OC ZINC000289448538 197352004 /nfs/dbraw/zinc/35/20/04/197352004.db2.gz KWPNMQKERRRBIN-UHFFFAOYSA-N 1 2 296.396 1.064 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCCCn1cc[nH+]c1 ZINC000280878327 195011945 /nfs/dbraw/zinc/01/19/45/195011945.db2.gz AXPTYFXMFIHGEK-LBPRGKRZSA-N 1 2 250.346 1.927 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(C)s2)C1=O ZINC000281122258 195112498 /nfs/dbraw/zinc/11/24/98/195112498.db2.gz CGXLXJCADXUMFG-LBPRGKRZSA-N 1 2 265.382 1.670 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(C)s2)C1=O ZINC000281122258 195112500 /nfs/dbraw/zinc/11/25/00/195112500.db2.gz CGXLXJCADXUMFG-LBPRGKRZSA-N 1 2 265.382 1.670 20 30 CDEDLO COCc1nc(C)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)s1 ZINC000574814685 335049595 /nfs/dbraw/zinc/04/95/95/335049595.db2.gz KQEIULLSRZXMJB-ZDUSSCGKSA-N 1 2 296.396 1.172 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)N[C@H]2CCCc3cn[nH]c32)CC1 ZINC000269027000 533148949 /nfs/dbraw/zinc/14/89/49/533148949.db2.gz WAQKIDNMCZSZNV-AWEZNQCLSA-N 1 2 286.379 1.249 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000364342328 262210859 /nfs/dbraw/zinc/21/08/59/262210859.db2.gz VKUVGQKWLGCLIP-GFCCVEGCSA-N 1 2 268.357 1.235 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000364342328 262210860 /nfs/dbraw/zinc/21/08/60/262210860.db2.gz VKUVGQKWLGCLIP-GFCCVEGCSA-N 1 2 268.357 1.235 20 30 CDEDLO C[C@H]1C(=O)N(C)CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000186950770 390158841 /nfs/dbraw/zinc/15/88/41/390158841.db2.gz CRUGIGRFSFUSJJ-LBPRGKRZSA-N 1 2 273.336 1.100 20 30 CDEDLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000186950770 390158845 /nfs/dbraw/zinc/15/88/45/390158845.db2.gz CRUGIGRFSFUSJJ-LBPRGKRZSA-N 1 2 273.336 1.100 20 30 CDEDLO Cc1nsc(NCC[N@@H+]2CCOC(C)(C)C2)c1C#N ZINC000286067776 390191542 /nfs/dbraw/zinc/19/15/42/390191542.db2.gz CTOILUYQIMQVHZ-UHFFFAOYSA-N 1 2 280.397 1.846 20 30 CDEDLO Cc1nsc(NCC[N@H+]2CCOC(C)(C)C2)c1C#N ZINC000286067776 390191544 /nfs/dbraw/zinc/19/15/44/390191544.db2.gz CTOILUYQIMQVHZ-UHFFFAOYSA-N 1 2 280.397 1.846 20 30 CDEDLO N#Cc1ccccc1OCC(=O)NCCc1[nH]cc[nH+]1 ZINC000134492591 390205931 /nfs/dbraw/zinc/20/59/31/390205931.db2.gz IWNWGDQUAONQRM-UHFFFAOYSA-N 1 2 270.292 1.019 20 30 CDEDLO C[C@H]1CC(=O)NCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000363487358 390860228 /nfs/dbraw/zinc/86/02/28/390860228.db2.gz DKRFZMAKALBENQ-LBPRGKRZSA-N 1 2 260.312 1.388 20 30 CDEDLO C[C@H]1CC(=O)NCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000363487358 390860229 /nfs/dbraw/zinc/86/02/29/390860229.db2.gz DKRFZMAKALBENQ-LBPRGKRZSA-N 1 2 260.312 1.388 20 30 CDEDLO NC(=O)[C@@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000178685348 390869145 /nfs/dbraw/zinc/86/91/45/390869145.db2.gz VBPBGSIIJDARKE-ZDUSSCGKSA-N 1 2 262.740 1.641 20 30 CDEDLO NC(=O)[C@@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000178685348 390869149 /nfs/dbraw/zinc/86/91/49/390869149.db2.gz VBPBGSIIJDARKE-ZDUSSCGKSA-N 1 2 262.740 1.641 20 30 CDEDLO C[C@@H](NC(=O)[C@H](C)O[NH+]=C(N)CCO)c1ccc(F)cc1 ZINC000121341736 390883897 /nfs/dbraw/zinc/88/38/97/390883897.db2.gz CIMBVWDJALKPJP-ZJUUUORDSA-N 1 2 297.330 1.063 20 30 CDEDLO [O-]C(=[NH+]Cc1nccs1)N1CCn2c[nH+]cc2C1 ZINC000329637517 391055145 /nfs/dbraw/zinc/05/51/45/391055145.db2.gz YQDDMJBXAQTSSC-UHFFFAOYSA-N 1 2 263.326 1.269 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000648265320 391061520 /nfs/dbraw/zinc/06/15/20/391061520.db2.gz XWRYLQXPVWGBSB-MCIONIFRSA-N 1 2 275.352 1.638 20 30 CDEDLO C#C[C@H]1COCCN1Cc1[nH+]ccn1CC(F)(F)F ZINC000491503747 391149790 /nfs/dbraw/zinc/14/97/90/391149790.db2.gz FAUNHZDTJDMXGH-JTQLQIEISA-N 1 2 273.258 1.279 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000352434679 391135960 /nfs/dbraw/zinc/13/59/60/391135960.db2.gz ZLEAJMVBTZAHIP-JSGCOSHPSA-N 1 2 254.374 1.426 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000352434679 391135965 /nfs/dbraw/zinc/13/59/65/391135965.db2.gz ZLEAJMVBTZAHIP-JSGCOSHPSA-N 1 2 254.374 1.426 20 30 CDEDLO C[C@@H](C(=O)N[C@@]1(C#N)CC1(C)C)[NH+]1CCSCC1 ZINC000336084781 533302915 /nfs/dbraw/zinc/30/29/15/533302915.db2.gz ZXRWCPKMFMKGAS-GXFFZTMASA-N 1 2 267.398 1.232 20 30 CDEDLO CCCCNC(=O)[C@@H](C)O[NH+]=C(N)Cc1csc(C)n1 ZINC000178144913 391182132 /nfs/dbraw/zinc/18/21/32/391182132.db2.gz KQTBAJYCROGJEZ-SECBINFHSA-N 1 2 298.412 1.588 20 30 CDEDLO N#C[C@H]1N(Cc2c[nH+]c[nH]2)CCC[C@]12CCCCO2 ZINC000366149986 391225513 /nfs/dbraw/zinc/22/55/13/391225513.db2.gz ADPMWJGHFUVZLG-ZIAGYGMSSA-N 1 2 260.341 1.837 20 30 CDEDLO N#C[C@H]1N(Cc2c[nH]c[nH+]2)CCC[C@]12CCCCO2 ZINC000366149986 391225516 /nfs/dbraw/zinc/22/55/16/391225516.db2.gz ADPMWJGHFUVZLG-ZIAGYGMSSA-N 1 2 260.341 1.837 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CC)n2CC(C)C)CC1 ZINC000491718057 391234217 /nfs/dbraw/zinc/23/42/17/391234217.db2.gz ZCJQCNSEFCYZAD-UHFFFAOYSA-N 1 2 275.400 1.252 20 30 CDEDLO N#CCCn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000366005665 391193474 /nfs/dbraw/zinc/19/34/74/391193474.db2.gz DSNXQQFYJHREQC-AWEZNQCLSA-N 1 2 298.350 1.160 20 30 CDEDLO N#CCCn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000366005665 391193479 /nfs/dbraw/zinc/19/34/79/391193479.db2.gz DSNXQQFYJHREQC-AWEZNQCLSA-N 1 2 298.350 1.160 20 30 CDEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC000375863130 391201968 /nfs/dbraw/zinc/20/19/68/391201968.db2.gz VPVGUALJLIKNGA-CYBMUJFWSA-N 1 2 294.399 1.137 20 30 CDEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000268020407 391209507 /nfs/dbraw/zinc/20/95/07/391209507.db2.gz VEOWQGKVUOGMMD-MRXNPFEDSA-N 1 2 298.390 1.101 20 30 CDEDLO C[C@H](C#N)CN(C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000270056514 391262589 /nfs/dbraw/zinc/26/25/89/391262589.db2.gz JTPSSVVKHIRUJP-OLZOCXBDSA-N 1 2 287.367 1.461 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000270913624 391282846 /nfs/dbraw/zinc/28/28/46/391282846.db2.gz TXLSBDMBOUWJGH-HNNXBMFYSA-N 1 2 287.363 1.689 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000270913624 391282853 /nfs/dbraw/zinc/28/28/53/391282853.db2.gz TXLSBDMBOUWJGH-HNNXBMFYSA-N 1 2 287.363 1.689 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccoc1 ZINC000345786639 391313733 /nfs/dbraw/zinc/31/37/33/391313733.db2.gz CLSFHGZHOINZOI-LLVKDONJSA-N 1 2 261.325 1.662 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccoc1 ZINC000345786639 391313736 /nfs/dbraw/zinc/31/37/36/391313736.db2.gz CLSFHGZHOINZOI-LLVKDONJSA-N 1 2 261.325 1.662 20 30 CDEDLO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2nc(C(C)(C)C)no2)C1=O ZINC000330378545 391408805 /nfs/dbraw/zinc/40/88/05/391408805.db2.gz GCCSZLFLBMVSDP-WDEREUQCSA-N 1 2 292.383 1.805 20 30 CDEDLO CCOC(=O)[C@@H]([NH2+]CCC(C)(C)C#N)[C@H]1CCCOC1 ZINC000346955622 391378990 /nfs/dbraw/zinc/37/89/90/391378990.db2.gz HHZDCFVWRXNNCE-STQMWFEESA-N 1 2 282.384 1.874 20 30 CDEDLO CC(C)(CNc1nccc(C#N)c1Cl)[NH+]1CCOCC1 ZINC000439133530 391424836 /nfs/dbraw/zinc/42/48/36/391424836.db2.gz QSVVAMSYQMEVPI-UHFFFAOYSA-N 1 2 294.786 1.551 20 30 CDEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cccc(C#N)c1 ZINC000191136922 391446176 /nfs/dbraw/zinc/44/61/76/391446176.db2.gz XYLCPRRFTQWWOO-UHFFFAOYSA-N 1 2 273.336 1.631 20 30 CDEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cccc(C#N)c1 ZINC000191136922 391446180 /nfs/dbraw/zinc/44/61/80/391446180.db2.gz XYLCPRRFTQWWOO-UHFFFAOYSA-N 1 2 273.336 1.631 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](CC)C[C@H](C)C#N ZINC000355437687 391455570 /nfs/dbraw/zinc/45/55/70/391455570.db2.gz UYFIZQCBUXDBBV-CYBMUJFWSA-N 1 2 251.374 1.893 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CC)C[C@H](C)C#N ZINC000355437687 391455572 /nfs/dbraw/zinc/45/55/72/391455572.db2.gz UYFIZQCBUXDBBV-CYBMUJFWSA-N 1 2 251.374 1.893 20 30 CDEDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411609521 391485337 /nfs/dbraw/zinc/48/53/37/391485337.db2.gz XEHRISYSSIPTOC-ZIAGYGMSSA-N 1 2 294.395 1.849 20 30 CDEDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411609521 391485339 /nfs/dbraw/zinc/48/53/39/391485339.db2.gz XEHRISYSSIPTOC-ZIAGYGMSSA-N 1 2 294.395 1.849 20 30 CDEDLO C=C(CC)C[N@H+](C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000358861490 391565184 /nfs/dbraw/zinc/56/51/84/391565184.db2.gz ODOWOPWLKNDUGU-KBPBESRZSA-N 1 2 287.425 1.621 20 30 CDEDLO C=C(CC)C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000358861490 391565187 /nfs/dbraw/zinc/56/51/87/391565187.db2.gz ODOWOPWLKNDUGU-KBPBESRZSA-N 1 2 287.425 1.621 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000349640102 391568085 /nfs/dbraw/zinc/56/80/85/391568085.db2.gz BKSZVAAIUHHDJX-HOCLYGCPSA-N 1 2 295.427 1.789 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)C1=O ZINC000281959910 391666373 /nfs/dbraw/zinc/66/63/73/391666373.db2.gz KIDIKUDUCICBFU-QWHCGFSZSA-N 1 2 289.383 1.079 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)C1=O ZINC000281959910 391666378 /nfs/dbraw/zinc/66/63/78/391666378.db2.gz KIDIKUDUCICBFU-QWHCGFSZSA-N 1 2 289.383 1.079 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)C1=O ZINC000281959910 391666381 /nfs/dbraw/zinc/66/63/81/391666381.db2.gz KIDIKUDUCICBFU-QWHCGFSZSA-N 1 2 289.383 1.079 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)C1=O ZINC000281959910 391666385 /nfs/dbraw/zinc/66/63/85/391666385.db2.gz KIDIKUDUCICBFU-QWHCGFSZSA-N 1 2 289.383 1.079 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)C1=O ZINC000281959910 391666389 /nfs/dbraw/zinc/66/63/89/391666389.db2.gz KIDIKUDUCICBFU-QWHCGFSZSA-N 1 2 289.383 1.079 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)C1=O ZINC000281959910 391666393 /nfs/dbraw/zinc/66/63/93/391666393.db2.gz KIDIKUDUCICBFU-QWHCGFSZSA-N 1 2 289.383 1.079 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)C(=O)OC ZINC000361113254 391683908 /nfs/dbraw/zinc/68/39/08/391683908.db2.gz LHAIGJNQMGFVAN-VXGBXAGGSA-N 1 2 255.358 1.899 20 30 CDEDLO C=CCCN(C)c1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413253683 391728677 /nfs/dbraw/zinc/72/86/77/391728677.db2.gz ABTYHRBAYPQCTM-OLZOCXBDSA-N 1 2 276.384 1.696 20 30 CDEDLO C=CCCN(C)c1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413253683 391728681 /nfs/dbraw/zinc/72/86/81/391728681.db2.gz ABTYHRBAYPQCTM-OLZOCXBDSA-N 1 2 276.384 1.696 20 30 CDEDLO CCOC(=O)[C@H](C)[N@H+](C)CCOc1ccccc1C#N ZINC000341995564 130186884 /nfs/dbraw/zinc/18/68/84/130186884.db2.gz PLDQTSLXCDNYBQ-LBPRGKRZSA-N 1 2 276.336 1.820 20 30 CDEDLO CCOC(=O)[C@H](C)[N@@H+](C)CCOc1ccccc1C#N ZINC000341995564 130186886 /nfs/dbraw/zinc/18/68/86/130186886.db2.gz PLDQTSLXCDNYBQ-LBPRGKRZSA-N 1 2 276.336 1.820 20 30 CDEDLO Cn1cc(C[N@@H+]2CCC[C@@]23CCOC3=O)cc1C#N ZINC000191534741 130250602 /nfs/dbraw/zinc/25/06/02/130250602.db2.gz KVDCARYGRQIRHL-AWEZNQCLSA-N 1 2 259.309 1.178 20 30 CDEDLO Cn1cc(C[N@H+]2CCC[C@@]23CCOC3=O)cc1C#N ZINC000191534741 130250607 /nfs/dbraw/zinc/25/06/07/130250607.db2.gz KVDCARYGRQIRHL-AWEZNQCLSA-N 1 2 259.309 1.178 20 30 CDEDLO O=C(NCC1([NH+]2CCOCC2)CC1)[C@@H]1CCCOC1 ZINC000329871812 391791448 /nfs/dbraw/zinc/79/14/48/391791448.db2.gz BATYBZVVHJHURE-GFCCVEGCSA-N 1 2 268.357 1.234 20 30 CDEDLO Cc1nnc([C@@H]2C[N@@H+]([C@@H]3CC[C@H](C#N)C3)CCO2)[nH]1 ZINC000330236601 391814782 /nfs/dbraw/zinc/81/47/82/391814782.db2.gz HHWKAQJDQWMRFA-TUAOUCFPSA-N 1 2 261.329 1.179 20 30 CDEDLO Cc1nnc([C@@H]2C[N@H+]([C@@H]3CC[C@H](C#N)C3)CCO2)[nH]1 ZINC000330236601 391814785 /nfs/dbraw/zinc/81/47/85/391814785.db2.gz HHWKAQJDQWMRFA-TUAOUCFPSA-N 1 2 261.329 1.179 20 30 CDEDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccn(C)n1 ZINC000459785804 392505302 /nfs/dbraw/zinc/50/53/02/392505302.db2.gz KJPDGUZUBYYFLP-LLVKDONJSA-N 1 2 283.335 1.581 20 30 CDEDLO C[C@H]1CCC[C@H](CO)[N@@H+]1Cc1nc(C#N)cs1 ZINC000419237990 392888989 /nfs/dbraw/zinc/88/89/89/392888989.db2.gz MNOGNZZPCYEGKS-GXSJLCMTSA-N 1 2 251.355 1.750 20 30 CDEDLO C[C@H]1CCC[C@H](CO)[N@H+]1Cc1nc(C#N)cs1 ZINC000419237990 392888991 /nfs/dbraw/zinc/88/89/91/392888991.db2.gz MNOGNZZPCYEGKS-GXSJLCMTSA-N 1 2 251.355 1.750 20 30 CDEDLO N#Cc1ccc(CCC(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000523689968 392892396 /nfs/dbraw/zinc/89/23/96/392892396.db2.gz JJIYUBGJQRDAJK-UHFFFAOYSA-N 1 2 280.331 1.771 20 30 CDEDLO Cc1cc(C[NH2+][C@H](C)c2ncn(C)n2)ccc1C#N ZINC000488996574 392859200 /nfs/dbraw/zinc/85/92/00/392859200.db2.gz ZDSKSZLMNVJVLG-LLVKDONJSA-N 1 2 255.325 1.846 20 30 CDEDLO Cc1cc(N[C@@H]2CC(=O)N3CCCC[C@@H]23)c(C#N)c[nH+]1 ZINC000521033581 392863191 /nfs/dbraw/zinc/86/31/91/392863191.db2.gz MZRWXNMOUVRHJT-KGLIPLIRSA-N 1 2 270.336 1.249 20 30 CDEDLO C=CCCS(=O)(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000268539563 132024315 /nfs/dbraw/zinc/02/43/15/132024315.db2.gz KNSYFSQJUYCPJA-LLVKDONJSA-N 1 2 272.370 1.378 20 30 CDEDLO C=CCC[C@@H](O)C[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000268630569 132039016 /nfs/dbraw/zinc/03/90/16/132039016.db2.gz KHEJXBYEXCVELJ-CYBMUJFWSA-N 1 2 294.420 1.833 20 30 CDEDLO CCN1CC[N@H+](CCOc2ccc(C#N)cc2)[C@H](C)C1=O ZINC000425911201 393031416 /nfs/dbraw/zinc/03/14/16/393031416.db2.gz AHSFMPXPXUIWHS-CYBMUJFWSA-N 1 2 287.363 1.490 20 30 CDEDLO CCN1CC[N@@H+](CCOc2ccc(C#N)cc2)[C@H](C)C1=O ZINC000425911201 393031422 /nfs/dbraw/zinc/03/14/22/393031422.db2.gz AHSFMPXPXUIWHS-CYBMUJFWSA-N 1 2 287.363 1.490 20 30 CDEDLO CC(=O)N1CC[C@H](CN(C)c2cc(C)[nH+]cc2C#N)C1 ZINC000425243794 393001850 /nfs/dbraw/zinc/00/18/50/393001850.db2.gz GHGCHQFUMFOVIL-CYBMUJFWSA-N 1 2 272.352 1.566 20 30 CDEDLO Cc1cc(N2CCC(CCC(N)=O)CC2)c(C#N)c[nH+]1 ZINC000425242078 393002141 /nfs/dbraw/zinc/00/21/41/393002141.db2.gz BURVGPQKYOAIPA-UHFFFAOYSA-N 1 2 272.352 1.744 20 30 CDEDLO Cc1cc(NC[C@H]2CC[C@H](C(N)=O)CC2)c(C#N)c[nH+]1 ZINC000425265663 393009989 /nfs/dbraw/zinc/00/99/89/393009989.db2.gz FIIXCQUDUSTUPJ-HAQNSBGRSA-N 1 2 272.352 1.387 20 30 CDEDLO N#Cc1cccc(NCC(=O)NCCCn2cc[nH+]c2)c1 ZINC000133948460 393229268 /nfs/dbraw/zinc/22/92/68/393229268.db2.gz RDWVCBBCRBLUQK-UHFFFAOYSA-N 1 2 283.335 1.373 20 30 CDEDLO C=CCn1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)nn1 ZINC000648757292 393280814 /nfs/dbraw/zinc/28/08/14/393280814.db2.gz IRBZALACHYPSMM-UHFFFAOYSA-N 1 2 286.339 1.138 20 30 CDEDLO N#Cc1cccc(Cl)c1N1CC[NH+](CCO)CC1 ZINC000078601748 135001796 /nfs/dbraw/zinc/00/17/96/135001796.db2.gz GFSQIGODSGIRJZ-UHFFFAOYSA-N 1 2 265.744 1.326 20 30 CDEDLO C#CC[NH+]1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000274275576 397705216 /nfs/dbraw/zinc/70/52/16/397705216.db2.gz AGOIAHOFKAWCSG-UHFFFAOYSA-N 1 2 270.292 1.222 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)CC[S@@](=O)C1 ZINC000336138918 151303555 /nfs/dbraw/zinc/30/35/55/151303555.db2.gz VLXLUTRKCYCQDC-BMLIUANNSA-N 1 2 268.407 1.820 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)CC[S@@](=O)C1 ZINC000336138918 151303557 /nfs/dbraw/zinc/30/35/57/151303557.db2.gz VLXLUTRKCYCQDC-BMLIUANNSA-N 1 2 268.407 1.820 20 30 CDEDLO Cc1cccc(CCNc2ncc([N+](=O)[O-])cc2C#N)[nH+]1 ZINC000359834575 158393810 /nfs/dbraw/zinc/39/38/10/158393810.db2.gz HSHMJOKACNLFHP-UHFFFAOYSA-N 1 2 283.291 1.641 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374104406 160254637 /nfs/dbraw/zinc/25/46/37/160254637.db2.gz DUEPRVFPFMVYLS-OKILXGFUSA-N 1 2 288.347 1.809 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374104406 160254638 /nfs/dbraw/zinc/25/46/38/160254638.db2.gz DUEPRVFPFMVYLS-OKILXGFUSA-N 1 2 288.347 1.809 20 30 CDEDLO C#C[C@@H]1CCC[N@H+](Cc2nc(-c3nn[nH]n3)cs2)C1 ZINC001588332117 1173035473 /nfs/dbraw/zinc/03/54/73/1173035473.db2.gz GNYOYAICMUFHSN-SECBINFHSA-N 1 2 274.353 1.168 20 30 CDEDLO C#C[C@@H]1CCC[N@@H+](Cc2nc(-c3nn[nH]n3)cs2)C1 ZINC001588332117 1173035483 /nfs/dbraw/zinc/03/54/83/1173035483.db2.gz GNYOYAICMUFHSN-SECBINFHSA-N 1 2 274.353 1.168 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000664958286 413760637 /nfs/dbraw/zinc/76/06/37/413760637.db2.gz YIVVRHXAEHHGKR-KGLIPLIRSA-N 1 2 297.443 1.997 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000664958286 413760646 /nfs/dbraw/zinc/76/06/46/413760646.db2.gz YIVVRHXAEHHGKR-KGLIPLIRSA-N 1 2 297.443 1.997 20 30 CDEDLO C=C[C@](C)(O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000665072410 413836816 /nfs/dbraw/zinc/83/68/16/413836816.db2.gz GQWZSVIEUUMBRW-INIZCTEOSA-N 1 2 274.364 1.268 20 30 CDEDLO C=CCOCCNC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000661280458 413948594 /nfs/dbraw/zinc/94/85/94/413948594.db2.gz JSDDWCCYMGGBNU-MNOVXSKESA-N 1 2 264.329 1.391 20 30 CDEDLO C#CCN(CC[N@@H+]1CCO[C@@H](C)C1)Cc1ccccc1 ZINC000285601539 196340597 /nfs/dbraw/zinc/34/05/97/196340597.db2.gz JIMXJWMMWJQSIN-INIZCTEOSA-N 1 2 272.392 1.843 20 30 CDEDLO C#CCN(CC[N@H+]1CCO[C@@H](C)C1)Cc1ccccc1 ZINC000285601539 196340599 /nfs/dbraw/zinc/34/05/99/196340599.db2.gz JIMXJWMMWJQSIN-INIZCTEOSA-N 1 2 272.392 1.843 20 30 CDEDLO C=CCCNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000661572231 414174212 /nfs/dbraw/zinc/17/42/12/414174212.db2.gz XWXSCHHPTOZVJO-UHFFFAOYSA-N 1 2 263.341 1.683 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@H](CC)[C@@H](O)C(F)(F)F)nn1 ZINC000657422366 414309802 /nfs/dbraw/zinc/30/98/02/414309802.db2.gz OMQRUDRPDOWNNA-GHMZBOCLSA-N 1 2 292.305 1.646 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCn2cccc2[C@H]1C ZINC000076683325 177059595 /nfs/dbraw/zinc/05/95/95/177059595.db2.gz PLFDUHLNYILXGG-CYBMUJFWSA-N 1 2 274.368 1.627 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCn2cccc2[C@H]1C ZINC000076683325 177059597 /nfs/dbraw/zinc/05/95/97/177059597.db2.gz PLFDUHLNYILXGG-CYBMUJFWSA-N 1 2 274.368 1.627 20 30 CDEDLO Cc1ncc(C[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N)s1 ZINC000077185044 177231515 /nfs/dbraw/zinc/23/15/15/177231515.db2.gz KSNCTHADXKAEOT-JTQLQIEISA-N 1 2 280.397 1.644 20 30 CDEDLO Cc1ncc(C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N)s1 ZINC000077185044 177231517 /nfs/dbraw/zinc/23/15/17/177231517.db2.gz KSNCTHADXKAEOT-JTQLQIEISA-N 1 2 280.397 1.644 20 30 CDEDLO C[C@H](C[NH+]1CCN(C)CC1)Nc1ccc(C#N)cc1F ZINC000078543781 177352182 /nfs/dbraw/zinc/35/21/82/177352182.db2.gz INZQJQUOJFUJOU-GFCCVEGCSA-N 1 2 276.359 1.745 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCCCCC#N)C1CC1 ZINC000344739666 225147894 /nfs/dbraw/zinc/14/78/94/225147894.db2.gz JHBOHALXBMHQCW-GFCCVEGCSA-N 1 2 275.356 1.864 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCC2=CCCOC2)C1 ZINC000329255189 227387401 /nfs/dbraw/zinc/38/74/01/227387401.db2.gz AAKONTWITGBJSD-CYBMUJFWSA-N 1 2 290.367 1.470 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCC(C)(C)CC#N ZINC000457809875 226021277 /nfs/dbraw/zinc/02/12/77/226021277.db2.gz HSTOCZFTZNDWBD-LLVKDONJSA-N 1 2 263.345 1.511 20 30 CDEDLO O=C(C[N@@H+]1CCO[C@@]2(CCCOC2)C1)NC1CCOCC1 ZINC000329067470 227281111 /nfs/dbraw/zinc/28/11/11/227281111.db2.gz LXPSEUDDFSSFPN-HNNXBMFYSA-N 1 2 298.383 1.003 20 30 CDEDLO O=C(C[N@H+]1CCO[C@@]2(CCCOC2)C1)NC1CCOCC1 ZINC000329067470 227281114 /nfs/dbraw/zinc/28/11/14/227281114.db2.gz LXPSEUDDFSSFPN-HNNXBMFYSA-N 1 2 298.383 1.003 20 30 CDEDLO C[C@@H]1C[C@@H](NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC000329094688 227294075 /nfs/dbraw/zinc/29/40/75/227294075.db2.gz KPKHLDUGFZHBEU-OLZOCXBDSA-N 1 2 299.415 1.168 20 30 CDEDLO C[C@@H]1C[C@@H](NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC000329094688 227294079 /nfs/dbraw/zinc/29/40/79/227294079.db2.gz KPKHLDUGFZHBEU-OLZOCXBDSA-N 1 2 299.415 1.168 20 30 CDEDLO O=C(NCCc1ccon1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000330015050 228017298 /nfs/dbraw/zinc/01/72/98/228017298.db2.gz NMRBZRCQLBNCDW-AWEZNQCLSA-N 1 2 293.367 1.817 20 30 CDEDLO O=C(NCCc1ccon1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000330015050 228017300 /nfs/dbraw/zinc/01/73/00/228017300.db2.gz NMRBZRCQLBNCDW-AWEZNQCLSA-N 1 2 293.367 1.817 20 30 CDEDLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000330029473 228020954 /nfs/dbraw/zinc/02/09/54/228020954.db2.gz QAYHMANBFVQZMA-TUAOUCFPSA-N 1 2 268.357 1.279 20 30 CDEDLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000330029473 228020957 /nfs/dbraw/zinc/02/09/57/228020957.db2.gz QAYHMANBFVQZMA-TUAOUCFPSA-N 1 2 268.357 1.279 20 30 CDEDLO O=C(NC[C@H]1CCCC1=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000330046865 228026665 /nfs/dbraw/zinc/02/66/65/228026665.db2.gz FAMJQDFEUCHFDF-WDEREUQCSA-N 1 2 261.325 1.771 20 30 CDEDLO COC1CCC(CNC(=O)N2CCn3cc[nH+]c3C2)CC1 ZINC000330240336 228077069 /nfs/dbraw/zinc/07/70/69/228077069.db2.gz IOTJHBAKLHQNEF-UHFFFAOYSA-N 1 2 292.383 1.818 20 30 CDEDLO Cc1ccc2nc(C[N@@H+](C)[C@H](C)CC#N)cc(=O)n2c1 ZINC000332704473 228165875 /nfs/dbraw/zinc/16/58/75/228165875.db2.gz WMKDSKQXVAMOBV-GFCCVEGCSA-N 1 2 270.336 1.737 20 30 CDEDLO Cc1ccc2nc(C[N@H+](C)[C@H](C)CC#N)cc(=O)n2c1 ZINC000332704473 228165876 /nfs/dbraw/zinc/16/58/76/228165876.db2.gz WMKDSKQXVAMOBV-GFCCVEGCSA-N 1 2 270.336 1.737 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NCC(F)(F)F ZINC000332474932 260011847 /nfs/dbraw/zinc/01/18/47/260011847.db2.gz MQOWRSJDYDRBFM-SFYZADRCSA-N 1 2 251.252 1.145 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NCC(F)(F)F ZINC000332474932 260011849 /nfs/dbraw/zinc/01/18/49/260011849.db2.gz MQOWRSJDYDRBFM-SFYZADRCSA-N 1 2 251.252 1.145 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1scnc1C ZINC000066565289 260247123 /nfs/dbraw/zinc/24/71/23/260247123.db2.gz USQRFOHVCJKNDT-NSHDSACASA-N 1 2 294.424 1.892 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1scnc1C ZINC000066565289 260247125 /nfs/dbraw/zinc/24/71/25/260247125.db2.gz USQRFOHVCJKNDT-NSHDSACASA-N 1 2 294.424 1.892 20 30 CDEDLO CC[N@@H+](CC#N)CCCCN1C(=O)c2ccccc2C1=O ZINC000121014996 260706600 /nfs/dbraw/zinc/70/66/00/260706600.db2.gz VYEIBPYNIAAPES-UHFFFAOYSA-N 1 2 285.347 1.908 20 30 CDEDLO CC[N@H+](CC#N)CCCCN1C(=O)c2ccccc2C1=O ZINC000121014996 260706601 /nfs/dbraw/zinc/70/66/01/260706601.db2.gz VYEIBPYNIAAPES-UHFFFAOYSA-N 1 2 285.347 1.908 20 30 CDEDLO CC[C@H](O[NH+]=C(N)c1cccc(Cl)c1)C(N)=O ZINC000159379535 261184871 /nfs/dbraw/zinc/18/48/71/261184871.db2.gz XPQNMIOMANMFQZ-VIFPVBQESA-N 1 2 255.705 1.241 20 30 CDEDLO CC[C@@]1(C)C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000248948384 261223455 /nfs/dbraw/zinc/22/34/55/261223455.db2.gz PDYFFKQFAUOOJY-OCCSQVGLSA-N 1 2 267.373 1.248 20 30 CDEDLO CC[C@@]1(C)C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000248948384 261223458 /nfs/dbraw/zinc/22/34/58/261223458.db2.gz PDYFFKQFAUOOJY-OCCSQVGLSA-N 1 2 267.373 1.248 20 30 CDEDLO CCc1nnc(CO[NH+]=C(N)c2ccc(C)c(F)c2)o1 ZINC000160715402 261224066 /nfs/dbraw/zinc/22/40/66/261224066.db2.gz NWQPALIHPGGAQD-UHFFFAOYSA-N 1 2 278.287 1.917 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@](CCC)(C2CC2)C1=O ZINC000491068486 261314705 /nfs/dbraw/zinc/31/47/05/261314705.db2.gz PJZMQNZSJNCKCU-XHDPSFHLSA-N 1 2 277.368 1.398 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@](CCC)(C2CC2)C1=O ZINC000491068486 261314707 /nfs/dbraw/zinc/31/47/07/261314707.db2.gz PJZMQNZSJNCKCU-XHDPSFHLSA-N 1 2 277.368 1.398 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@@](CCC)(C2CC2)C1=O ZINC000491068469 261315132 /nfs/dbraw/zinc/31/51/32/261315132.db2.gz PJZMQNZSJNCKCU-ABAIWWIYSA-N 1 2 277.368 1.398 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@@](CCC)(C2CC2)C1=O ZINC000491068469 261315135 /nfs/dbraw/zinc/31/51/35/261315135.db2.gz PJZMQNZSJNCKCU-ABAIWWIYSA-N 1 2 277.368 1.398 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCc1cccc(OC(C)C)c1 ZINC000491776898 262038124 /nfs/dbraw/zinc/03/81/24/262038124.db2.gz CTLULYLAHBJROE-UHFFFAOYSA-N 1 2 274.364 1.655 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCc1cccc(OC(C)C)c1 ZINC000491776898 262038126 /nfs/dbraw/zinc/03/81/26/262038126.db2.gz CTLULYLAHBJROE-UHFFFAOYSA-N 1 2 274.364 1.655 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497177733 262055844 /nfs/dbraw/zinc/05/58/44/262055844.db2.gz LYHPGRXEXVKEDA-SNVBAGLBSA-N 1 2 253.346 1.697 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497177733 262055842 /nfs/dbraw/zinc/05/58/42/262055842.db2.gz LYHPGRXEXVKEDA-SNVBAGLBSA-N 1 2 253.346 1.697 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497177732 262055809 /nfs/dbraw/zinc/05/58/09/262055809.db2.gz LYHPGRXEXVKEDA-JTQLQIEISA-N 1 2 253.346 1.697 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497177732 262055810 /nfs/dbraw/zinc/05/58/10/262055810.db2.gz LYHPGRXEXVKEDA-JTQLQIEISA-N 1 2 253.346 1.697 20 30 CDEDLO CO/N=C/C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000283134594 263081548 /nfs/dbraw/zinc/08/15/48/263081548.db2.gz UVLVPYYVTSHSHG-WOJGMQOQSA-N 1 2 290.367 1.566 20 30 CDEDLO CC[C@](C)(C#N)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000285442440 263093071 /nfs/dbraw/zinc/09/30/71/263093071.db2.gz MFYLAPGJQPHNRT-OAHLLOKOSA-N 1 2 270.336 1.933 20 30 CDEDLO C=CCN1CC[C@@H](O[NH+]=C(N)[C@@H](C)OCC(C)C)C1=O ZINC000289330537 263109221 /nfs/dbraw/zinc/10/92/21/263109221.db2.gz DNASOIJAXPSERH-VXGBXAGGSA-N 1 2 283.372 1.123 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CC(=O)N1 ZINC000296115730 263185848 /nfs/dbraw/zinc/18/58/48/263185848.db2.gz HIWQHOUEXBWUMB-GFCCVEGCSA-N 1 2 271.364 1.808 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CC(=O)N1 ZINC000296115730 263185850 /nfs/dbraw/zinc/18/58/50/263185850.db2.gz HIWQHOUEXBWUMB-GFCCVEGCSA-N 1 2 271.364 1.808 20 30 CDEDLO CC(C)(CCC#N)CNc1[nH+]cnc(-n2cccn2)c1N ZINC000340943778 263313421 /nfs/dbraw/zinc/31/34/21/263313421.db2.gz VAZNCBUJHRSLKA-UHFFFAOYSA-N 1 2 285.355 1.986 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000341701907 263346821 /nfs/dbraw/zinc/34/68/21/263346821.db2.gz BFZAPQZTLIBKAU-WCQYABFASA-N 1 2 277.368 1.969 20 30 CDEDLO CO[C@H](C)[C@H](C)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330966455 264090605 /nfs/dbraw/zinc/09/06/05/264090605.db2.gz CZKZGWOMIVVPFR-OUCADQQQSA-N 1 2 293.367 1.872 20 30 CDEDLO CC(=O)NCCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331236799 264175387 /nfs/dbraw/zinc/17/53/87/264175387.db2.gz MSFPYOSIFNTMQE-UHFFFAOYSA-N 1 2 264.329 1.469 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCc1ccc(Cl)cc1 ZINC000072906992 264281338 /nfs/dbraw/zinc/28/13/38/264281338.db2.gz AQIVRMODPPAGED-UHFFFAOYSA-N 1 2 274.751 1.525 20 30 CDEDLO C=CCCn1cc(C[N@@H+](CC=C)CCOC)nn1 ZINC000653638304 424387125 /nfs/dbraw/zinc/38/71/25/424387125.db2.gz PKTHYIQNALIOPE-UHFFFAOYSA-N 1 2 250.346 1.489 20 30 CDEDLO C=CCCn1cc(C[N@H+](CC=C)CCOC)nn1 ZINC000653638304 424387132 /nfs/dbraw/zinc/38/71/32/424387132.db2.gz PKTHYIQNALIOPE-UHFFFAOYSA-N 1 2 250.346 1.489 20 30 CDEDLO C=C(C)CCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000665019880 424398708 /nfs/dbraw/zinc/39/87/08/424398708.db2.gz GSNIMILFUUPXJS-QWHCGFSZSA-N 1 2 269.389 1.361 20 30 CDEDLO C=C(C)CCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000665019880 424398717 /nfs/dbraw/zinc/39/87/17/424398717.db2.gz GSNIMILFUUPXJS-QWHCGFSZSA-N 1 2 269.389 1.361 20 30 CDEDLO C[C@@H](C#N)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000357823688 266372361 /nfs/dbraw/zinc/37/23/61/266372361.db2.gz UENTZXPUDQQHCY-JTQLQIEISA-N 1 2 272.283 1.787 20 30 CDEDLO CCOC[C@H]1C[N@H+](CCOc2ccccc2C#N)CCO1 ZINC000528715964 267141629 /nfs/dbraw/zinc/14/16/29/267141629.db2.gz AXQSGMNYDVCNJU-OAHLLOKOSA-N 1 2 290.363 1.674 20 30 CDEDLO CCOC[C@H]1C[N@@H+](CCOc2ccccc2C#N)CCO1 ZINC000528715964 267141631 /nfs/dbraw/zinc/14/16/31/267141631.db2.gz AXQSGMNYDVCNJU-OAHLLOKOSA-N 1 2 290.363 1.674 20 30 CDEDLO CCOC[C@H]1C[N@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000528722720 267141974 /nfs/dbraw/zinc/14/19/74/267141974.db2.gz RREMNKOKTUSRKL-MRXNPFEDSA-N 1 2 290.363 1.674 20 30 CDEDLO CCOC[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000528722720 267141977 /nfs/dbraw/zinc/14/19/77/267141977.db2.gz RREMNKOKTUSRKL-MRXNPFEDSA-N 1 2 290.363 1.674 20 30 CDEDLO N#Cc1c(Cl)nsc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000372213204 279494637 /nfs/dbraw/zinc/49/46/37/279494637.db2.gz VCJZJPMMKVYSBR-SECBINFHSA-N 1 2 298.799 1.579 20 30 CDEDLO Cc1cc(S(=O)(=O)Nc2c[nH+]c[nH]2)ccc1C#N ZINC000551174272 290001479 /nfs/dbraw/zinc/00/14/79/290001479.db2.gz QCMRBCQSYCBNNR-UHFFFAOYSA-N 1 2 262.294 1.391 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000560842544 293036870 /nfs/dbraw/zinc/03/68/70/293036870.db2.gz YNZXTMVAUMEMPB-UHFFFAOYSA-N 1 2 280.331 1.640 20 30 CDEDLO Cc1nn(C)c(N2CCN(c3cccc[nH+]3)CC2)c1C#N ZINC000111355115 293741522 /nfs/dbraw/zinc/74/15/22/293741522.db2.gz LNFYDNSZUGOGJX-UHFFFAOYSA-N 1 2 282.351 1.322 20 30 CDEDLO C[C@H](NC(=O)N(C)Cc1[nH+]ccn1C)[C@@H]1CCCOC1 ZINC000329478478 297945210 /nfs/dbraw/zinc/94/52/10/297945210.db2.gz CHSJVPSMVVGVAY-NWDGAFQWSA-N 1 2 280.372 1.581 20 30 CDEDLO C[C@@H]1CC[C@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000567995721 328001719 /nfs/dbraw/zinc/00/17/19/328001719.db2.gz TZOKIPXYWUAMKY-DYEKYZERSA-N 1 2 251.374 1.773 20 30 CDEDLO N#Cc1cnn2cc(C[N@@H+]3CCOC[C@H]3C3CCC3)cnc12 ZINC000576756073 317200591 /nfs/dbraw/zinc/20/05/91/317200591.db2.gz GAPQABCPJCXTEG-HNNXBMFYSA-N 1 2 297.362 1.602 20 30 CDEDLO N#Cc1cnn2cc(C[N@H+]3CCOC[C@H]3C3CCC3)cnc12 ZINC000576756073 317200593 /nfs/dbraw/zinc/20/05/93/317200593.db2.gz GAPQABCPJCXTEG-HNNXBMFYSA-N 1 2 297.362 1.602 20 30 CDEDLO Cc1cc(N2CCC[C@@H](NC(=O)N(C)C)C2)c(C#N)c[nH+]1 ZINC000577743886 317395390 /nfs/dbraw/zinc/39/53/90/317395390.db2.gz RHCWXERUNGBFBT-CYBMUJFWSA-N 1 2 287.367 1.502 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC000571340780 328112540 /nfs/dbraw/zinc/11/25/40/328112540.db2.gz GIHZKXNTHJELGH-SECBINFHSA-N 1 2 262.338 1.538 20 30 CDEDLO N#CC1(CNCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000571597520 328136509 /nfs/dbraw/zinc/13/65/09/328136509.db2.gz ORNLETPWIVTKOV-UHFFFAOYSA-N 1 2 258.247 1.839 20 30 CDEDLO N#CC1(C[NH2+]Cc2nccn2CC(F)(F)F)CC1 ZINC000571597520 328136511 /nfs/dbraw/zinc/13/65/11/328136511.db2.gz ORNLETPWIVTKOV-UHFFFAOYSA-N 1 2 258.247 1.839 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000265919378 328167195 /nfs/dbraw/zinc/16/71/95/328167195.db2.gz UGIDAKKGURMYLY-CABCVRRESA-N 1 2 287.363 1.306 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000265919378 328167196 /nfs/dbraw/zinc/16/71/96/328167196.db2.gz UGIDAKKGURMYLY-CABCVRRESA-N 1 2 287.363 1.306 20 30 CDEDLO C=CCOc1ccc(Cc2nc(C[NH2+]C)no2)cc1 ZINC000414649448 328207832 /nfs/dbraw/zinc/20/78/32/328207832.db2.gz WSEFSBCHDRGAPL-UHFFFAOYSA-N 1 2 259.309 1.945 20 30 CDEDLO Cc1cc[nH+]c(N2CCN(C[C@H](C#N)CCC#N)CC2)c1 ZINC000164055187 328301070 /nfs/dbraw/zinc/30/10/70/328301070.db2.gz HWRSHCXCCCHLTJ-HNNXBMFYSA-N 1 2 283.379 1.956 20 30 CDEDLO CCC[C@@H]1C[C@H]1C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N ZINC000579300927 324148802 /nfs/dbraw/zinc/14/88/02/324148802.db2.gz ZMEVRBGPFTUQPN-GHMZBOCLSA-N 1 2 289.383 1.230 20 30 CDEDLO Cc1cc(N2CCS(=O)(=O)C[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000583080728 325102259 /nfs/dbraw/zinc/10/22/59/325102259.db2.gz LBIJEOKFMXVYTD-JTQLQIEISA-N 1 2 279.365 1.133 20 30 CDEDLO CC1CC(C#N)(C(=O)NCCNc2cccc[nH+]2)C1 ZINC000569543406 327195830 /nfs/dbraw/zinc/19/58/30/327195830.db2.gz JPJHMUFVXHCTJW-UHFFFAOYSA-N 1 2 258.325 1.550 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000560456464 327309471 /nfs/dbraw/zinc/30/94/71/327309471.db2.gz QSXOOLOIBYUSTA-TUVASFSCSA-N 1 2 296.411 1.336 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000560456464 327309473 /nfs/dbraw/zinc/30/94/73/327309473.db2.gz QSXOOLOIBYUSTA-TUVASFSCSA-N 1 2 296.411 1.336 20 30 CDEDLO Cc1cc(NC(=O)C[NH+]2CCC(CCC#N)CC2)on1 ZINC000583438643 327364567 /nfs/dbraw/zinc/36/45/67/327364567.db2.gz WSCLYCFGSWCGLO-UHFFFAOYSA-N 1 2 276.340 1.937 20 30 CDEDLO Cc1c(F)cccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000575320508 327474760 /nfs/dbraw/zinc/47/47/60/327474760.db2.gz WXZKUXYVGVTLRM-CQSZACIVSA-N 1 2 263.316 1.708 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)NCC(C)(C)CCC#N ZINC000358015448 328880819 /nfs/dbraw/zinc/88/08/19/328880819.db2.gz HBWAOHRDPGKNSK-UHFFFAOYSA-N 1 2 263.345 1.549 20 30 CDEDLO C=C(C)CN(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000180281408 329219479 /nfs/dbraw/zinc/21/94/79/329219479.db2.gz AMXKHNYTUHZGHV-UHFFFAOYSA-N 1 2 269.389 1.315 20 30 CDEDLO C=C(C)C[N@@H+](C)Cc1csc(CC(=O)N(C)C)n1 ZINC000181293431 329229864 /nfs/dbraw/zinc/22/98/64/329229864.db2.gz RYPRJHNHTGREEC-UHFFFAOYSA-N 1 2 267.398 1.782 20 30 CDEDLO C=C(C)C[N@H+](C)Cc1csc(CC(=O)N(C)C)n1 ZINC000181293431 329229866 /nfs/dbraw/zinc/22/98/66/329229866.db2.gz RYPRJHNHTGREEC-UHFFFAOYSA-N 1 2 267.398 1.782 20 30 CDEDLO N#CCC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000189173578 329376567 /nfs/dbraw/zinc/37/65/67/329376567.db2.gz JORQZWUJPPBQLK-UHFFFAOYSA-N 1 2 277.755 1.728 20 30 CDEDLO N#CCC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000189173578 329376569 /nfs/dbraw/zinc/37/65/69/329376569.db2.gz JORQZWUJPPBQLK-UHFFFAOYSA-N 1 2 277.755 1.728 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273443830 330093042 /nfs/dbraw/zinc/09/30/42/330093042.db2.gz DSVHQZZESGMRLW-VIFPVBQESA-N 1 2 279.296 1.253 20 30 CDEDLO C=CCn1cc(C[NH2+][C@H](C)c2cnn(CC)c2)nn1 ZINC000424297352 330336303 /nfs/dbraw/zinc/33/63/03/330336303.db2.gz QNVCSSWPMFAHSG-LLVKDONJSA-N 1 2 260.345 1.531 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)C(=O)OC ZINC000449300012 330912962 /nfs/dbraw/zinc/91/29/62/330912962.db2.gz NOLROLFWGISULR-QWHCGFSZSA-N 1 2 283.368 1.422 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccn1 ZINC000451376804 331026332 /nfs/dbraw/zinc/02/63/32/331026332.db2.gz MNRAZBHOUQWESA-CJNGLKHVSA-N 1 2 288.395 1.956 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccn1 ZINC000451376804 331026333 /nfs/dbraw/zinc/02/63/33/331026333.db2.gz MNRAZBHOUQWESA-CJNGLKHVSA-N 1 2 288.395 1.956 20 30 CDEDLO C=CCCS(=O)(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000451934762 331047618 /nfs/dbraw/zinc/04/76/18/331047618.db2.gz WPLYUOZWPDTWQD-SNVBAGLBSA-N 1 2 257.359 1.460 20 30 CDEDLO C=C(CC)CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000454540109 331148390 /nfs/dbraw/zinc/14/83/90/331148390.db2.gz JUDADSHOBMJMQM-STQMWFEESA-N 1 2 269.389 1.361 20 30 CDEDLO C=CC(C)(C)CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000454857099 331155125 /nfs/dbraw/zinc/15/51/25/331155125.db2.gz CTIIVOFVYPKWMG-UHFFFAOYSA-N 1 2 281.400 1.363 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456355587 331190753 /nfs/dbraw/zinc/19/07/53/331190753.db2.gz ATLQMAGNANCQKJ-QJPTWQEYSA-N 1 2 263.341 1.986 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@@](C(C)C)(C2CC2)C1=O ZINC000490690703 332105014 /nfs/dbraw/zinc/10/50/14/332105014.db2.gz UDVDUUXUWIFCTN-ABAIWWIYSA-N 1 2 277.368 1.254 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@@](C(C)C)(C2CC2)C1=O ZINC000490690703 332105015 /nfs/dbraw/zinc/10/50/15/332105015.db2.gz UDVDUUXUWIFCTN-ABAIWWIYSA-N 1 2 277.368 1.254 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(C)c2C)CC1 ZINC000490763657 332114199 /nfs/dbraw/zinc/11/41/99/332114199.db2.gz VAVJCZXORYEDOZ-UHFFFAOYSA-N 1 2 285.391 1.493 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2C)CC1 ZINC000490799387 332115991 /nfs/dbraw/zinc/11/59/91/332115991.db2.gz HDSXBBWWFRUNFL-UHFFFAOYSA-N 1 2 271.364 1.184 20 30 CDEDLO C#CCNC(=O)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000491105371 332150394 /nfs/dbraw/zinc/15/03/94/332150394.db2.gz VNONTBHROLCADH-UHFFFAOYSA-N 1 2 282.347 1.529 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCCC(=O)OC(C)(C)C ZINC000491298612 332184928 /nfs/dbraw/zinc/18/49/28/332184928.db2.gz WHZPNUGILXGGKL-LBPRGKRZSA-N 1 2 253.342 1.442 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCCC(=O)OC(C)(C)C ZINC000491298612 332184929 /nfs/dbraw/zinc/18/49/29/332184929.db2.gz WHZPNUGILXGGKL-LBPRGKRZSA-N 1 2 253.342 1.442 20 30 CDEDLO C#C[C@H](NC(=O)CCc1c[nH+]cn1C)c1ccc(F)cc1 ZINC000491351226 332195405 /nfs/dbraw/zinc/19/54/05/332195405.db2.gz SOMOEGZURHKVSD-HNNXBMFYSA-N 1 2 285.322 1.983 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)Nc1cccc(F)c1 ZINC000491370937 332198458 /nfs/dbraw/zinc/19/84/58/332198458.db2.gz BUEGRFVYHFIUJB-CQSZACIVSA-N 1 2 276.311 1.488 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1cccc(F)c1 ZINC000491370937 332198459 /nfs/dbraw/zinc/19/84/59/332198459.db2.gz BUEGRFVYHFIUJB-CQSZACIVSA-N 1 2 276.311 1.488 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cc1csc(CC(=O)N(C)C)n1 ZINC000491372854 332199244 /nfs/dbraw/zinc/19/92/44/332199244.db2.gz LBNGPFSUYKGUSS-JTQLQIEISA-N 1 2 265.382 1.227 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(CC(=O)N(C)C)n1 ZINC000491372854 332199245 /nfs/dbraw/zinc/19/92/45/332199245.db2.gz LBNGPFSUYKGUSS-JTQLQIEISA-N 1 2 265.382 1.227 20 30 CDEDLO C#C[C@H](CC)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000491451269 332213554 /nfs/dbraw/zinc/21/35/54/332213554.db2.gz FEYNOGVGJLPLGH-CYBMUJFWSA-N 1 2 272.352 1.325 20 30 CDEDLO C#CC[N@@H+](C)Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000491629027 332252060 /nfs/dbraw/zinc/25/20/60/332252060.db2.gz VYICRRCZFPUZCN-UHFFFAOYSA-N 1 2 265.378 1.934 20 30 CDEDLO C#CC[N@H+](C)Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000491629027 332252061 /nfs/dbraw/zinc/25/20/61/332252061.db2.gz VYICRRCZFPUZCN-UHFFFAOYSA-N 1 2 265.378 1.934 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000491631389 332253904 /nfs/dbraw/zinc/25/39/04/332253904.db2.gz OADFHTMZSNFRLX-GFCCVEGCSA-N 1 2 296.392 1.518 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000491631389 332253906 /nfs/dbraw/zinc/25/39/06/332253906.db2.gz OADFHTMZSNFRLX-GFCCVEGCSA-N 1 2 296.392 1.518 20 30 CDEDLO C#C[C@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C(C)C ZINC000491681282 332284695 /nfs/dbraw/zinc/28/46/95/332284695.db2.gz MFYJZXVFVKFSKD-LBPRGKRZSA-N 1 2 284.319 1.047 20 30 CDEDLO C#C[C@@H]1COCCN1C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000491682609 332285414 /nfs/dbraw/zinc/28/54/14/332285414.db2.gz STVXIQAGASLAHF-CYBMUJFWSA-N 1 2 283.331 1.205 20 30 CDEDLO C#CC[NH+]1CCN(c2nc3c(cccc3F)o2)CC1 ZINC000491693266 332289628 /nfs/dbraw/zinc/28/96/28/332289628.db2.gz KKJRSLWLDBAITB-UHFFFAOYSA-N 1 2 259.284 1.722 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000491699588 332294334 /nfs/dbraw/zinc/29/43/34/332294334.db2.gz BWXQJGHGFBOMBQ-LLVKDONJSA-N 1 2 285.307 1.764 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000491699588 332294335 /nfs/dbraw/zinc/29/43/35/332294335.db2.gz BWXQJGHGFBOMBQ-LLVKDONJSA-N 1 2 285.307 1.764 20 30 CDEDLO C#CC[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)C1CC1 ZINC000491765476 332333864 /nfs/dbraw/zinc/33/38/64/332333864.db2.gz CCAVDENPLSLLGQ-HUUCEWRRSA-N 1 2 276.380 1.254 20 30 CDEDLO C#CC[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)C1CC1 ZINC000491765476 332333866 /nfs/dbraw/zinc/33/38/66/332333866.db2.gz CCAVDENPLSLLGQ-HUUCEWRRSA-N 1 2 276.380 1.254 20 30 CDEDLO C#C[C@H](NC(=O)N[C@@H](C)C[NH+]1CCOCC1)C(C)(C)C ZINC000491770371 332337282 /nfs/dbraw/zinc/33/72/82/332337282.db2.gz PRNOMOJIQUOJFM-STQMWFEESA-N 1 2 281.400 1.054 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000491773527 332339486 /nfs/dbraw/zinc/33/94/86/332339486.db2.gz VWRYEJDDAUFUOQ-JKSUJKDBSA-N 1 2 282.387 1.863 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)NCC(=O)c1cccs1 ZINC000491801209 332355638 /nfs/dbraw/zinc/35/56/38/332355638.db2.gz BVOVHFZWBSWBAN-JTQLQIEISA-N 1 2 264.350 1.001 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)NCC(=O)c1cccs1 ZINC000491801209 332355640 /nfs/dbraw/zinc/35/56/40/332355640.db2.gz BVOVHFZWBSWBAN-JTQLQIEISA-N 1 2 264.350 1.001 20 30 CDEDLO C#C[C@@H]1COCCN1Cc1c[nH+]c2c(C)cccn12 ZINC000491805552 332359162 /nfs/dbraw/zinc/35/91/62/332359162.db2.gz OIVYUJGYCAGKKU-CYBMUJFWSA-N 1 2 255.321 1.477 20 30 CDEDLO N#C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC000493481972 332441948 /nfs/dbraw/zinc/44/19/48/332441948.db2.gz ACWJZXPSKPVBTP-URWSZGRFSA-N 1 2 270.267 1.943 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CSC[C@H]1CCCCO1 ZINC000568753529 334839312 /nfs/dbraw/zinc/83/93/12/334839312.db2.gz SAAOCBNOFFPJNQ-OCCSQVGLSA-N 1 2 299.440 1.249 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(C)c(C)c2)CC1 ZINC000128391446 333666451 /nfs/dbraw/zinc/66/64/51/333666451.db2.gz GZAMAJZUUDPOPB-UHFFFAOYSA-N 1 2 286.375 1.460 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)N(CCC#N)CC(C)(C)C ZINC000547543262 334100572 /nfs/dbraw/zinc/10/05/72/334100572.db2.gz MQQVVTFSRCAGAX-UHFFFAOYSA-N 1 2 262.357 1.751 20 30 CDEDLO C=CCN(C(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000548001103 334134474 /nfs/dbraw/zinc/13/44/74/334134474.db2.gz OPUUUHCWFNJCPV-NSHDSACASA-N 1 2 260.341 1.558 20 30 CDEDLO Cn1cc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)nn1 ZINC000548858213 334176602 /nfs/dbraw/zinc/17/66/02/334176602.db2.gz ZARWNJYWYWKAED-UHFFFAOYSA-N 1 2 282.351 1.267 20 30 CDEDLO C[C@@H]1C[C@]1(C#N)C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000572540644 334405509 /nfs/dbraw/zinc/40/55/09/334405509.db2.gz HAWJPVHDVLELMD-QMTHXVAHSA-N 1 2 285.338 1.629 20 30 CDEDLO N#C[C@H]1CC[C@@H](Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000576456686 335205340 /nfs/dbraw/zinc/20/53/40/335205340.db2.gz WCCMBFJOZWQMGC-UONOGXRCSA-N 1 2 289.383 1.319 20 30 CDEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1csc(CC)n1 ZINC000184723318 335932088 /nfs/dbraw/zinc/93/20/88/335932088.db2.gz JOABOGDUSKWOMX-VIFPVBQESA-N 1 2 296.396 1.368 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc[n+]([O-])cc2)[C@H]1C ZINC001088455400 1160425114 /nfs/dbraw/zinc/42/51/14/1160425114.db2.gz ODCWJAGYIFINAF-YPMHNXCESA-N 1 2 295.770 1.265 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc[n+]([O-])cc2)[C@H]1C ZINC001088455400 1160425117 /nfs/dbraw/zinc/42/51/17/1160425117.db2.gz ODCWJAGYIFINAF-YPMHNXCESA-N 1 2 295.770 1.265 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000682041685 482670561 /nfs/dbraw/zinc/67/05/61/482670561.db2.gz MKYPOBPQESRBTB-ZYHUDNBSSA-N 1 2 294.317 1.720 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000682041685 482670565 /nfs/dbraw/zinc/67/05/65/482670565.db2.gz MKYPOBPQESRBTB-ZYHUDNBSSA-N 1 2 294.317 1.720 20 30 CDEDLO C=C[C@](C)(O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000667001756 483043182 /nfs/dbraw/zinc/04/31/82/483043182.db2.gz SPBDOGJWUDEOTJ-AWEZNQCLSA-N 1 2 259.309 1.196 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC001080587295 1161563686 /nfs/dbraw/zinc/56/36/86/1161563686.db2.gz GTNOVYPZGGSEHK-LDYMZIIASA-N 1 2 282.775 1.521 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC001080587295 1161563690 /nfs/dbraw/zinc/56/36/90/1161563690.db2.gz GTNOVYPZGGSEHK-LDYMZIIASA-N 1 2 282.775 1.521 20 30 CDEDLO Cc1ccc(C[N@H+](C)CC(=O)NC2(C#N)CCC2)o1 ZINC000331424653 533869654 /nfs/dbraw/zinc/86/96/54/533869654.db2.gz XKIJAPNPTJFZKL-UHFFFAOYSA-N 1 2 261.325 1.582 20 30 CDEDLO Cc1ccc(C[N@@H+](C)CC(=O)NC2(C#N)CCC2)o1 ZINC000331424653 533869667 /nfs/dbraw/zinc/86/96/67/533869667.db2.gz XKIJAPNPTJFZKL-UHFFFAOYSA-N 1 2 261.325 1.582 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1onc(C)c1C ZINC001085662448 1161950740 /nfs/dbraw/zinc/95/07/40/1161950740.db2.gz ZUSXFWYHVJHTFI-CYBMUJFWSA-N 1 2 275.352 1.461 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1onc(C)c1C ZINC001085662448 1161950745 /nfs/dbraw/zinc/95/07/45/1161950745.db2.gz ZUSXFWYHVJHTFI-CYBMUJFWSA-N 1 2 275.352 1.461 20 30 CDEDLO Cc1nc(N(C)C[C@H](C)NC(=O)C#CC(C)(C)C)cc[nH+]1 ZINC001108940662 1162024424 /nfs/dbraw/zinc/02/44/24/1162024424.db2.gz GUDBFBPEEIZZBS-LBPRGKRZSA-N 1 2 288.395 1.775 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)COCC(F)F)CC1 ZINC001113154085 1162118368 /nfs/dbraw/zinc/11/83/68/1162118368.db2.gz VCKYHMZWHIGIFG-UHFFFAOYSA-N 1 2 290.354 1.625 20 30 CDEDLO O=C(C[N@@H+]1CCCOCC1)Nc1ccc2c(c1)OCO2 ZINC000329261621 534337442 /nfs/dbraw/zinc/33/74/42/534337442.db2.gz FWGJHMHMXKJPED-UHFFFAOYSA-N 1 2 278.308 1.726 20 30 CDEDLO O=C(C[N@H+]1CCCOCC1)Nc1ccc2c(c1)OCO2 ZINC000329261621 534337450 /nfs/dbraw/zinc/33/74/50/534337450.db2.gz FWGJHMHMXKJPED-UHFFFAOYSA-N 1 2 278.308 1.726 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH2+][C@@H](COC)c1ccco1 ZINC000184512658 518922543 /nfs/dbraw/zinc/92/25/43/518922543.db2.gz TWOIFGCKQAGUJA-QWRGUYRKSA-N 1 2 252.314 1.247 20 30 CDEDLO C=CCCC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000263975517 534607195 /nfs/dbraw/zinc/60/71/95/534607195.db2.gz IZSDLQGVUUMZGQ-UHFFFAOYSA-N 1 2 259.353 1.692 20 30 CDEDLO N#CCNC(=O)C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000331598892 534674645 /nfs/dbraw/zinc/67/46/45/534674645.db2.gz QJEJDIJKWDAVBV-CYBMUJFWSA-N 1 2 298.346 1.995 20 30 CDEDLO N#CCNC(=O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000331598892 534674649 /nfs/dbraw/zinc/67/46/49/534674649.db2.gz QJEJDIJKWDAVBV-CYBMUJFWSA-N 1 2 298.346 1.995 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)COc1ccccc1C#N ZINC000042512291 524956700 /nfs/dbraw/zinc/95/67/00/524956700.db2.gz GUJPEGFMPZFVJF-LBPRGKRZSA-N 1 2 284.319 1.338 20 30 CDEDLO CC#CCCCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347291551 526296097 /nfs/dbraw/zinc/29/60/97/526296097.db2.gz YBUBCVKATYFWEG-UHFFFAOYSA-N 1 2 264.369 1.161 20 30 CDEDLO C=CCOCC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000354879123 526723900 /nfs/dbraw/zinc/72/39/00/526723900.db2.gz AMCGCAGDMAKWCH-UHFFFAOYSA-N 1 2 290.363 1.660 20 30 CDEDLO CC[N@@H+](CC(=O)N1CCC(C)CC1)C[C@H](C)C#N ZINC000353286241 527895012 /nfs/dbraw/zinc/89/50/12/527895012.db2.gz MADPYXHNXUMOJG-CYBMUJFWSA-N 1 2 251.374 1.726 20 30 CDEDLO CC[N@H+](CC(=O)N1CCC(C)CC1)C[C@H](C)C#N ZINC000353286241 527895018 /nfs/dbraw/zinc/89/50/18/527895018.db2.gz MADPYXHNXUMOJG-CYBMUJFWSA-N 1 2 251.374 1.726 20 30 CDEDLO CC(C)[C@@H](C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000353729593 528378521 /nfs/dbraw/zinc/37/85/21/528378521.db2.gz MKVKJOVHEAMMRW-CQSZACIVSA-N 1 2 281.400 1.353 20 30 CDEDLO CC(C)[NH+]1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000188273884 529040434 /nfs/dbraw/zinc/04/04/34/529040434.db2.gz XRYCXOXULMAAMU-UHFFFAOYSA-N 1 2 273.336 1.430 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCCOCC1 ZINC000329291986 538556741 /nfs/dbraw/zinc/55/67/41/538556741.db2.gz RCPXZBVKSLWYBN-LBPRGKRZSA-N 1 2 280.372 1.736 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCCOCC1 ZINC000329291986 538556745 /nfs/dbraw/zinc/55/67/45/538556745.db2.gz RCPXZBVKSLWYBN-LBPRGKRZSA-N 1 2 280.372 1.736 20 30 CDEDLO O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1c[nH+]c[nH]1 ZINC000329741739 538633538 /nfs/dbraw/zinc/63/35/38/538633538.db2.gz OXDVDMDBYYSGIC-GHMZBOCLSA-N 1 2 290.323 1.041 20 30 CDEDLO O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1c[nH]c[nH+]1 ZINC000329741739 538633543 /nfs/dbraw/zinc/63/35/43/538633543.db2.gz OXDVDMDBYYSGIC-GHMZBOCLSA-N 1 2 290.323 1.041 20 30 CDEDLO CCC/C=C\C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000729352447 574752387 /nfs/dbraw/zinc/75/23/87/574752387.db2.gz OYJHKSKTWKJCDF-XQRVVYSFSA-N 1 2 279.384 1.417 20 30 CDEDLO Cn1nccc1C=NNc1cc[nH+]c2ccccc12 ZINC000730148590 574854157 /nfs/dbraw/zinc/85/41/57/574854157.db2.gz YJSAWSGORPOOTP-UHFFFAOYSA-N 1 2 251.293 1.836 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)CC1 ZINC000733161046 575102960 /nfs/dbraw/zinc/10/29/60/575102960.db2.gz IDGAPEZHAKXISJ-UHFFFAOYSA-N 1 2 281.359 1.867 20 30 CDEDLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CC(=O)NCCC#N ZINC000770005169 575452634 /nfs/dbraw/zinc/45/26/34/575452634.db2.gz YODSLYBHQJLMRV-OAHLLOKOSA-N 1 2 295.383 1.214 20 30 CDEDLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1CC(=O)NCCC#N ZINC000770005169 575452636 /nfs/dbraw/zinc/45/26/36/575452636.db2.gz YODSLYBHQJLMRV-OAHLLOKOSA-N 1 2 295.383 1.214 20 30 CDEDLO C=CC[N@H+](CN1C(=O)C(=O)N(C2CCCC2)C1=O)C1CC1 ZINC000771640599 575599657 /nfs/dbraw/zinc/59/96/57/575599657.db2.gz INHSWHZINHCVNB-UHFFFAOYSA-N 1 2 291.351 1.328 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)C(=O)N(C2CCCC2)C1=O)C1CC1 ZINC000771640599 575599659 /nfs/dbraw/zinc/59/96/59/575599659.db2.gz INHSWHZINHCVNB-UHFFFAOYSA-N 1 2 291.351 1.328 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)C[C@@](C)(CC)C1=O)C1CC1 ZINC000771639162 575599818 /nfs/dbraw/zinc/59/98/18/575599818.db2.gz FXNNPZSKUKNSEH-CQSZACIVSA-N 1 2 250.342 1.770 20 30 CDEDLO C=CC[N@H+](CN1C(=O)C[C@@](C)(CC)C1=O)C1CC1 ZINC000771639162 575599820 /nfs/dbraw/zinc/59/98/20/575599820.db2.gz FXNNPZSKUKNSEH-CQSZACIVSA-N 1 2 250.342 1.770 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)N[C@](C)(C(C)C)C1=O)C1CC1 ZINC000771640777 575599832 /nfs/dbraw/zinc/59/98/32/575599832.db2.gz JVSIYCTVUKIZHO-CQSZACIVSA-N 1 2 265.357 1.561 20 30 CDEDLO C=CC[N@H+](CN1C(=O)N[C@](C)(C(C)C)C1=O)C1CC1 ZINC000771640777 575599835 /nfs/dbraw/zinc/59/98/35/575599835.db2.gz JVSIYCTVUKIZHO-CQSZACIVSA-N 1 2 265.357 1.561 20 30 CDEDLO C=CC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)o1)C1CC1 ZINC000772381163 575691511 /nfs/dbraw/zinc/69/15/11/575691511.db2.gz HYIIQQQNTYVIJE-UHFFFAOYSA-N 1 2 284.381 1.680 20 30 CDEDLO C=CC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)o1)C1CC1 ZINC000772381163 575691514 /nfs/dbraw/zinc/69/15/14/575691514.db2.gz HYIIQQQNTYVIJE-UHFFFAOYSA-N 1 2 284.381 1.680 20 30 CDEDLO CC#CC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000764427089 575906617 /nfs/dbraw/zinc/90/66/17/575906617.db2.gz NAMCFMDSVRTJRI-UHFFFAOYSA-N 1 2 269.304 1.924 20 30 CDEDLO CN(C)c1cc(COC(=O)C2(C#N)CCOCC2)cc[nH+]1 ZINC000767567481 576205688 /nfs/dbraw/zinc/20/56/88/576205688.db2.gz MVCINNQVMOSSHQ-UHFFFAOYSA-N 1 2 289.335 1.511 20 30 CDEDLO C[C@H](C#N)OC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000740986466 576529411 /nfs/dbraw/zinc/52/94/11/576529411.db2.gz CCAUHWPRFQQOGB-NEPJUHHUSA-N 1 2 258.321 1.888 20 30 CDEDLO C[C@H](C#N)OC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000740986466 576529415 /nfs/dbraw/zinc/52/94/15/576529415.db2.gz CCAUHWPRFQQOGB-NEPJUHHUSA-N 1 2 258.321 1.888 20 30 CDEDLO C=CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000741148006 576539607 /nfs/dbraw/zinc/53/96/07/576539607.db2.gz GLKLOILSYMRTKZ-VXGBXAGGSA-N 1 2 268.357 1.095 20 30 CDEDLO C=CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@H+]1CC ZINC000741148006 576539606 /nfs/dbraw/zinc/53/96/06/576539606.db2.gz GLKLOILSYMRTKZ-VXGBXAGGSA-N 1 2 268.357 1.095 20 30 CDEDLO C[C@H]1CC(=NNS(=O)(=O)c2ccccc2)C[N@@H+]1C ZINC000761795110 576593496 /nfs/dbraw/zinc/59/34/96/576593496.db2.gz WLFCQUTUUDNBIY-JTQLQIEISA-N 1 2 267.354 1.045 20 30 CDEDLO C[C@H]1CC(=NNS(=O)(=O)c2ccccc2)C[N@H+]1C ZINC000761795110 576593497 /nfs/dbraw/zinc/59/34/97/576593497.db2.gz WLFCQUTUUDNBIY-JTQLQIEISA-N 1 2 267.354 1.045 20 30 CDEDLO c1cn(-c2ccc(N=NCC3CCOCC3)nn2)c[nH+]1 ZINC000761857170 576598806 /nfs/dbraw/zinc/59/88/06/576598806.db2.gz IQFUEZDNCBVIMM-UHFFFAOYSA-N 1 2 272.312 1.487 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CCC(C)(C)C2)c1=S ZINC000743390993 576637838 /nfs/dbraw/zinc/63/78/38/576637838.db2.gz QZUACASNAUCFPG-UHFFFAOYSA-N 1 2 253.375 1.684 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CCC(C)(C)C2)c1=S ZINC000743390993 576637839 /nfs/dbraw/zinc/63/78/39/576637839.db2.gz QZUACASNAUCFPG-UHFFFAOYSA-N 1 2 253.375 1.684 20 30 CDEDLO C#CCOCCc1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000762404948 576643161 /nfs/dbraw/zinc/64/31/61/576643161.db2.gz VIQGFRBGTUEABU-QWHCGFSZSA-N 1 2 291.351 1.188 20 30 CDEDLO C#CCOCCc1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000762404948 576643164 /nfs/dbraw/zinc/64/31/64/576643164.db2.gz VIQGFRBGTUEABU-QWHCGFSZSA-N 1 2 291.351 1.188 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CCc2nc3ccccc3o2)CC1 ZINC000744422891 576680027 /nfs/dbraw/zinc/68/00/27/576680027.db2.gz DDCJVNFMZISLCH-UHFFFAOYSA-N 1 2 297.358 1.538 20 30 CDEDLO C#CCN(CC#CC)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000745786894 576742418 /nfs/dbraw/zinc/74/24/18/576742418.db2.gz NCFYPSFLVXYENA-UHFFFAOYSA-N 1 2 299.374 1.875 20 30 CDEDLO C[N@@H+](Cc1cccc(C#N)c1)Cn1ccsc1=O ZINC000746602540 576785734 /nfs/dbraw/zinc/78/57/34/576785734.db2.gz DIFRDXSMSZROBT-UHFFFAOYSA-N 1 2 259.334 1.871 20 30 CDEDLO C[N@H+](Cc1cccc(C#N)c1)Cn1ccsc1=O ZINC000746602540 576785736 /nfs/dbraw/zinc/78/57/36/576785736.db2.gz DIFRDXSMSZROBT-UHFFFAOYSA-N 1 2 259.334 1.871 20 30 CDEDLO C#CCNC(=O)COc1cc[nH+]c2cc(OC)ccc21 ZINC000747836462 576886814 /nfs/dbraw/zinc/88/68/14/576886814.db2.gz TYSRKUQVZQTZAO-UHFFFAOYSA-N 1 2 270.288 1.372 20 30 CDEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2ccc(C#N)cc2)C1 ZINC000748455918 576913124 /nfs/dbraw/zinc/91/31/24/576913124.db2.gz HXIKFEYSLXVSAL-CQSZACIVSA-N 1 2 274.320 1.322 20 30 CDEDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2ccc(C#N)cc2)C1 ZINC000748455918 576913126 /nfs/dbraw/zinc/91/31/26/576913126.db2.gz HXIKFEYSLXVSAL-CQSZACIVSA-N 1 2 274.320 1.322 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CN(CC)c2cccc(C)c2)CC1 ZINC000748812274 576926031 /nfs/dbraw/zinc/92/60/31/576926031.db2.gz BJXGYVFTGZFCII-UHFFFAOYSA-N 1 2 299.418 1.599 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]Nc1cc(C)ccn1 ZINC000755901307 576966892 /nfs/dbraw/zinc/96/68/92/576966892.db2.gz DOHSIXRXHKWFGN-UHFFFAOYSA-N 1 2 258.285 1.217 20 30 CDEDLO N#Cc1cccn(C[NH+]2CCC(OCC3CC3)CC2)c1=O ZINC000758233378 577086753 /nfs/dbraw/zinc/08/67/53/577086753.db2.gz WUJSEGGYQPCQEG-UHFFFAOYSA-N 1 2 287.363 1.568 20 30 CDEDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cn1cccc(C#N)c1=O ZINC000758237045 577087767 /nfs/dbraw/zinc/08/77/67/577087767.db2.gz OBASLSPFELCQST-HNNXBMFYSA-N 1 2 297.362 1.557 20 30 CDEDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cn1cccc(C#N)c1=O ZINC000758237045 577087770 /nfs/dbraw/zinc/08/77/70/577087770.db2.gz OBASLSPFELCQST-HNNXBMFYSA-N 1 2 297.362 1.557 20 30 CDEDLO N#CC1CC[NH+](CN2CC3(CC2=O)CCOCC3)CC1 ZINC000753091083 577145165 /nfs/dbraw/zinc/14/51/65/577145165.db2.gz AQMASSFBXNTMIG-UHFFFAOYSA-N 1 2 277.368 1.209 20 30 CDEDLO N#CCCNC(=O)C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000753275321 577158992 /nfs/dbraw/zinc/15/89/92/577158992.db2.gz OQTVJCMJQCWLKQ-KRWDZBQOSA-N 1 2 299.374 1.190 20 30 CDEDLO N#CCCNC(=O)C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000753275321 577158995 /nfs/dbraw/zinc/15/89/95/577158995.db2.gz OQTVJCMJQCWLKQ-KRWDZBQOSA-N 1 2 299.374 1.190 20 30 CDEDLO N#Cc1ccc(F)c(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)c1 ZINC000822829645 599457689 /nfs/dbraw/zinc/45/76/89/599457689.db2.gz BMEYKAOYHXHTNR-UHFFFAOYSA-N 1 2 298.281 1.760 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2c(C)noc2CC)C1 ZINC000957375775 612991709 /nfs/dbraw/zinc/99/17/09/612991709.db2.gz JYELGJURIUHVRB-UHFFFAOYSA-N 1 2 289.379 1.715 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(C)cc(C)n2)C1 ZINC000950692600 612991817 /nfs/dbraw/zinc/99/18/17/612991817.db2.gz UOVBRJWSQGPGNW-UHFFFAOYSA-N 1 2 285.391 1.868 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnn(C(C)C)c2)C1 ZINC000957123801 612992948 /nfs/dbraw/zinc/99/29/48/612992948.db2.gz WLMMNVOFNKUSLB-UHFFFAOYSA-N 1 2 288.395 1.634 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ncnc3[nH]ccc32)C1 ZINC000950766427 612993354 /nfs/dbraw/zinc/99/33/54/612993354.db2.gz GDKAQLARSJCXMN-UHFFFAOYSA-N 1 2 297.362 1.079 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C)SC)CC2)C1 ZINC000949303976 613210400 /nfs/dbraw/zinc/21/04/00/613210400.db2.gz BDNYPGQTIUJFQE-CYBMUJFWSA-N 1 2 296.436 1.065 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)SC)CC2)C1 ZINC000949303976 613210403 /nfs/dbraw/zinc/21/04/03/613210403.db2.gz BDNYPGQTIUJFQE-CYBMUJFWSA-N 1 2 296.436 1.065 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(C)CCCC3)C2)C1 ZINC000972491082 613211022 /nfs/dbraw/zinc/21/10/22/613211022.db2.gz YJFLYJPOVJDOON-KRWDZBQOSA-N 1 2 290.407 1.503 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(C)CCCC3)C2)C1 ZINC000972491082 613211023 /nfs/dbraw/zinc/21/10/23/613211023.db2.gz YJFLYJPOVJDOON-KRWDZBQOSA-N 1 2 290.407 1.503 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC3CCCC3)C2)C1 ZINC000972237417 613212403 /nfs/dbraw/zinc/21/24/03/613212403.db2.gz FQYXKRHPWLMUDV-QGZVFWFLSA-N 1 2 290.407 1.503 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CC3CCCC3)C2)C1 ZINC000972237417 613212404 /nfs/dbraw/zinc/21/24/04/613212404.db2.gz FQYXKRHPWLMUDV-QGZVFWFLSA-N 1 2 290.407 1.503 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)C ZINC000958272235 613236104 /nfs/dbraw/zinc/23/61/04/613236104.db2.gz FIUCKTDBDGYMEC-URLYPYJESA-N 1 2 287.201 1.597 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)C ZINC000958272235 613236105 /nfs/dbraw/zinc/23/61/05/613236105.db2.gz FIUCKTDBDGYMEC-URLYPYJESA-N 1 2 287.201 1.597 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nc(Cl)cs2)C(C)(C)C1 ZINC000974956431 613284818 /nfs/dbraw/zinc/28/48/18/613284818.db2.gz PMQRJVASQXRHGD-SECBINFHSA-N 1 2 297.811 1.870 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nc(Cl)cs2)C(C)(C)C1 ZINC000974956431 613284819 /nfs/dbraw/zinc/28/48/19/613284819.db2.gz PMQRJVASQXRHGD-SECBINFHSA-N 1 2 297.811 1.870 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCO[C@@H](C)C2)C1 ZINC000957048588 613295668 /nfs/dbraw/zinc/29/56/68/613295668.db2.gz ANTKZHNKNZHPRS-KBPBESRZSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cn(C)nc2Cl)C1 ZINC000957120831 613296855 /nfs/dbraw/zinc/29/68/55/613296855.db2.gz RLWGNXAVMRWIER-UHFFFAOYSA-N 1 2 296.802 1.796 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnn(C)c2CC)C1 ZINC000950724897 613297458 /nfs/dbraw/zinc/29/74/58/613297458.db2.gz JMYUKEPBQQZVMA-UHFFFAOYSA-N 1 2 290.411 1.705 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnnc(C)c2)C1 ZINC000949970826 613297527 /nfs/dbraw/zinc/29/75/27/613297527.db2.gz UFLDFMQRPZLIOV-UHFFFAOYSA-N 1 2 274.368 1.507 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](OC)C2CCC2)CC1 ZINC000949516492 613318742 /nfs/dbraw/zinc/31/87/42/613318742.db2.gz YYMRZOBNUBOJBM-CQSZACIVSA-N 1 2 266.385 1.522 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cn(CC)cn2)CC1 ZINC000957348566 613321161 /nfs/dbraw/zinc/32/11/61/613321161.db2.gz LMXRQRCIWVXHFD-UHFFFAOYSA-N 1 2 262.357 1.237 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnc3n2CCCC3)CC1 ZINC000949825207 613321719 /nfs/dbraw/zinc/32/17/19/613321719.db2.gz VQEDPBDJBHIDDV-UHFFFAOYSA-N 1 2 288.395 1.553 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC000972616253 613368300 /nfs/dbraw/zinc/36/83/00/613368300.db2.gz WLHLVCURFCWOGY-LLVKDONJSA-N 1 2 282.775 1.237 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC000972616253 613368301 /nfs/dbraw/zinc/36/83/01/613368301.db2.gz WLHLVCURFCWOGY-LLVKDONJSA-N 1 2 282.775 1.237 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2=COCCO2)C1 ZINC000969232750 613371458 /nfs/dbraw/zinc/37/14/58/613371458.db2.gz DJPAMFDZRSZARW-SNVBAGLBSA-N 1 2 286.759 1.064 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(F)c[nH]2)C1 ZINC000970179020 613371869 /nfs/dbraw/zinc/37/18/69/613371869.db2.gz OQDPDTHAWHXPOK-SECBINFHSA-N 1 2 285.750 1.956 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccnn2)C1 ZINC000970635219 613372303 /nfs/dbraw/zinc/37/23/03/613372303.db2.gz VQYFVAWPNOGAFM-JTQLQIEISA-N 1 2 280.759 1.279 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccnn2C)C1 ZINC000969385718 613372378 /nfs/dbraw/zinc/37/23/78/613372378.db2.gz SITTVAKZQZDDKO-JTQLQIEISA-N 1 2 282.775 1.223 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccnc(C)n2)C1 ZINC000970892533 613372426 /nfs/dbraw/zinc/37/24/26/613372426.db2.gz QBUIUXRETQDKDK-JTQLQIEISA-N 1 2 294.786 1.588 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnns2)C1 ZINC000969347662 613372574 /nfs/dbraw/zinc/37/25/74/613372574.db2.gz YNSQIYHOWHQEQJ-QMMMGPOBSA-N 1 2 286.788 1.341 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCOC2)CC1 ZINC000980875803 613373306 /nfs/dbraw/zinc/37/33/06/613373306.db2.gz FQKMVBGJZUVAKD-ZDUSSCGKSA-N 1 2 286.803 1.700 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@@H]2CCOC2)CC1 ZINC000980875803 613373307 /nfs/dbraw/zinc/37/33/07/613373307.db2.gz FQKMVBGJZUVAKD-ZDUSSCGKSA-N 1 2 286.803 1.700 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C)co2)C1 ZINC000958323779 613380084 /nfs/dbraw/zinc/38/00/84/613380084.db2.gz DKBOYPBAUDGQJE-NWDGAFQWSA-N 1 2 298.770 1.363 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C)co2)C1 ZINC000958323779 613380085 /nfs/dbraw/zinc/38/00/85/613380085.db2.gz DKBOYPBAUDGQJE-NWDGAFQWSA-N 1 2 298.770 1.363 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2cccn2)C(C)(C)C1 ZINC000972807443 613381021 /nfs/dbraw/zinc/38/10/21/613381021.db2.gz BQFCQKRZKSPPCA-LBPRGKRZSA-N 1 2 296.802 1.462 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2cccn2)C(C)(C)C1 ZINC000972807443 613381022 /nfs/dbraw/zinc/38/10/22/613381022.db2.gz BQFCQKRZKSPPCA-LBPRGKRZSA-N 1 2 296.802 1.462 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@]2(C1)C[N@H+](CC#CC)CCO2 ZINC000972497824 613438155 /nfs/dbraw/zinc/43/81/55/613438155.db2.gz OIDCUAJCMGODBP-QGZVFWFLSA-N 1 2 290.407 1.525 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@]2(C1)C[N@@H+](CC#CC)CCO2 ZINC000972497824 613438156 /nfs/dbraw/zinc/43/81/56/613438156.db2.gz OIDCUAJCMGODBP-QGZVFWFLSA-N 1 2 290.407 1.525 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CC(C)C3)C2)C1 ZINC000972335567 613570148 /nfs/dbraw/zinc/57/01/48/613570148.db2.gz JZAFMWJXMZSWQL-DQPZFDDXSA-N 1 2 290.407 1.359 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CC(C)C3)C2)C1 ZINC000972335567 613570149 /nfs/dbraw/zinc/57/01/49/613570149.db2.gz JZAFMWJXMZSWQL-DQPZFDDXSA-N 1 2 290.407 1.359 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)/C(C)=C\C)C2)C1 ZINC000972328350 613570664 /nfs/dbraw/zinc/57/06/64/613570664.db2.gz PSLSOMVZEFTASL-ZVRDQUNJSA-N 1 2 276.380 1.279 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)/C(C)=C\C)C2)C1 ZINC000972328350 613570666 /nfs/dbraw/zinc/57/06/66/613570666.db2.gz PSLSOMVZEFTASL-ZVRDQUNJSA-N 1 2 276.380 1.279 20 30 CDEDLO O=C(NCC#C[C@@H]1CCCCO1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000891117595 617366118 /nfs/dbraw/zinc/36/61/18/617366118.db2.gz WXTJRQBKCHWQJM-KGLIPLIRSA-N 1 2 287.363 1.134 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCO[C@H]2C(C)C)C1 ZINC000950487092 613655535 /nfs/dbraw/zinc/65/55/35/613655535.db2.gz RTJPXSCVOOWINX-GJZGRUSLSA-N 1 2 280.412 1.766 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cc3c([nH]2)CCC3)C1 ZINC000957115716 613657011 /nfs/dbraw/zinc/65/70/11/613657011.db2.gz OOMLAEMACZSXKT-UHFFFAOYSA-N 1 2 273.380 1.836 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2CC[C@@H](C)O2)CC1 ZINC000950018776 613709522 /nfs/dbraw/zinc/70/95/22/613709522.db2.gz RFFHGMOMNIGKCX-CHWSQXEVSA-N 1 2 252.358 1.274 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)c2c(C)noc2C)CC1 ZINC000951738868 613710758 /nfs/dbraw/zinc/71/07/58/613710758.db2.gz BYBHOULWLZVUQB-NSHDSACASA-N 1 2 277.368 1.725 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2Cc3cccc(C)c3O2)CC1 ZINC000957977362 613711988 /nfs/dbraw/zinc/71/19/88/613711988.db2.gz BSFVMIMQGLFYCV-HNNXBMFYSA-N 1 2 286.375 1.629 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc3ccccn3c2)CC1 ZINC000951173372 613715269 /nfs/dbraw/zinc/71/52/69/613715269.db2.gz XWBWQXQAIFZABW-UHFFFAOYSA-N 1 2 269.348 1.883 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C(F)F)nc2)CC1 ZINC000948671383 613715457 /nfs/dbraw/zinc/71/54/57/613715457.db2.gz ILHJOTSIHBGKQY-UHFFFAOYSA-N 1 2 281.306 1.963 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(N(C)C)c(F)c2)CC1 ZINC000957791117 613716484 /nfs/dbraw/zinc/71/64/84/613716484.db2.gz FWFPFIGWUFZHPR-UHFFFAOYSA-N 1 2 291.370 1.836 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cncc(OC(C)C)c2)CC1 ZINC000949651521 613718077 /nfs/dbraw/zinc/71/80/77/613718077.db2.gz CENBAJQVYWRYJY-UHFFFAOYSA-N 1 2 289.379 1.813 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C3CCC3)C2)C1 ZINC000972431358 613726485 /nfs/dbraw/zinc/72/64/85/613726485.db2.gz PSLDXRMTUHNXKD-WMLDXEAASA-N 1 2 292.423 1.912 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C3CCC3)C2)C1 ZINC000972431358 613726488 /nfs/dbraw/zinc/72/64/88/613726488.db2.gz PSLDXRMTUHNXKD-WMLDXEAASA-N 1 2 292.423 1.912 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccccc1OCC(=O)OC ZINC000892059205 617451603 /nfs/dbraw/zinc/45/16/03/617451603.db2.gz ZCTVAJSDYMYZCP-UHFFFAOYSA-N 1 2 271.316 1.307 20 30 CDEDLO Cc1cc(F)c(C#N)c(N2CCC[N@H+](CC(N)=O)CC2)c1 ZINC000891935058 617797053 /nfs/dbraw/zinc/79/70/53/617797053.db2.gz MSEMVCGZUPAIGY-UHFFFAOYSA-N 1 2 290.342 1.003 20 30 CDEDLO Cc1cc(F)c(C#N)c(N2CCC[N@@H+](CC(N)=O)CC2)c1 ZINC000891935058 617797055 /nfs/dbraw/zinc/79/70/55/617797055.db2.gz MSEMVCGZUPAIGY-UHFFFAOYSA-N 1 2 290.342 1.003 20 30 CDEDLO COC(=O)C1=C(C)O[C@@H](C[N@@H+]2CCC[C@H](C#N)C2)C1 ZINC000932150329 617949264 /nfs/dbraw/zinc/94/92/64/617949264.db2.gz GGZNWOUDZQVEJG-VXGBXAGGSA-N 1 2 264.325 1.458 20 30 CDEDLO COC(=O)C1=C(C)O[C@@H](C[N@H+]2CCC[C@H](C#N)C2)C1 ZINC000932150329 617949268 /nfs/dbraw/zinc/94/92/68/617949268.db2.gz GGZNWOUDZQVEJG-VXGBXAGGSA-N 1 2 264.325 1.458 20 30 CDEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000932161499 617966211 /nfs/dbraw/zinc/96/62/11/617966211.db2.gz NLFPJTMHGTYVFF-HUUCEWRRSA-N 1 2 285.347 1.534 20 30 CDEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC000932161499 617966217 /nfs/dbraw/zinc/96/62/17/617966217.db2.gz NLFPJTMHGTYVFF-HUUCEWRRSA-N 1 2 285.347 1.534 20 30 CDEDLO C=C[C@H](C)NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000157400844 617986536 /nfs/dbraw/zinc/98/65/36/617986536.db2.gz OOGYKNHBGJMVTP-VIFPVBQESA-N 1 2 276.340 1.085 20 30 CDEDLO CCCCCCCNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000858111429 617998071 /nfs/dbraw/zinc/99/80/71/617998071.db2.gz FTLYDCWYSJQLKH-CYBMUJFWSA-N 1 2 271.405 1.587 20 30 CDEDLO CCCCCCCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000858111429 617998074 /nfs/dbraw/zinc/99/80/74/617998074.db2.gz FTLYDCWYSJQLKH-CYBMUJFWSA-N 1 2 271.405 1.587 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nc(CC)cs1 ZINC000910727263 618449787 /nfs/dbraw/zinc/44/97/87/618449787.db2.gz NJJBOXOBEKTNHV-AAEUAGOBSA-N 1 2 291.420 1.980 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nc(CC)cs1 ZINC000910727263 618449792 /nfs/dbraw/zinc/44/97/92/618449792.db2.gz NJJBOXOBEKTNHV-AAEUAGOBSA-N 1 2 291.420 1.980 20 30 CDEDLO N#C[C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000928217904 618570205 /nfs/dbraw/zinc/57/02/05/618570205.db2.gz VJNRGYNXGUQRLK-VXGBXAGGSA-N 1 2 258.325 1.208 20 30 CDEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000826381160 618591711 /nfs/dbraw/zinc/59/17/11/618591711.db2.gz ZKCUTDDVHWDPSP-MFKMUULPSA-N 1 2 286.314 1.788 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)OCc1cc[nH+]c(N)c1 ZINC000792168592 619015536 /nfs/dbraw/zinc/01/55/36/619015536.db2.gz BAMQTQCHJRJTNU-CQSZACIVSA-N 1 2 264.325 1.936 20 30 CDEDLO CCn1nc(C[NH2+][C@H]2CCCN(O)C2=O)c2ccccc21 ZINC000895160073 619376999 /nfs/dbraw/zinc/37/69/99/619376999.db2.gz JXAHZUMHNVKHJL-LBPRGKRZSA-N 1 2 288.351 1.526 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)Nc1ncccc1C#N ZINC000895804347 619853477 /nfs/dbraw/zinc/85/34/77/619853477.db2.gz KBGODTWJHFNANI-ZDUSSCGKSA-N 1 2 260.341 1.476 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896557805 620146598 /nfs/dbraw/zinc/14/65/98/620146598.db2.gz VZSAEFGCBHVYSB-ZFWWWQNUSA-N 1 2 279.428 1.505 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896557805 620146600 /nfs/dbraw/zinc/14/66/00/620146600.db2.gz VZSAEFGCBHVYSB-ZFWWWQNUSA-N 1 2 279.428 1.505 20 30 CDEDLO CCn1c[nH+]c2c1CCN(c1nc3ccccn3c1C#N)C2 ZINC000896659489 620180826 /nfs/dbraw/zinc/18/08/26/620180826.db2.gz JLHCPRKZKXTSDZ-UHFFFAOYSA-N 1 2 292.346 1.985 20 30 CDEDLO C#CC[N@@H+](Cc1cn(C[C@@H]2CCCO2)nn1)C(C)C ZINC000897171213 620402608 /nfs/dbraw/zinc/40/26/08/620402608.db2.gz SMWBLERQUAJWIQ-AWEZNQCLSA-N 1 2 262.357 1.301 20 30 CDEDLO C#CC[N@H+](Cc1cn(C[C@@H]2CCCO2)nn1)C(C)C ZINC000897171213 620402606 /nfs/dbraw/zinc/40/26/06/620402606.db2.gz SMWBLERQUAJWIQ-AWEZNQCLSA-N 1 2 262.357 1.301 20 30 CDEDLO Cn1nc(C[NH2+]Cc2cccc(C#N)n2)cc1C1CC1 ZINC000897231586 620432966 /nfs/dbraw/zinc/43/29/66/620432966.db2.gz ZNHNCYAZKVAJPV-UHFFFAOYSA-N 1 2 267.336 1.854 20 30 CDEDLO C=CCC1(O)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000899592704 622320340 /nfs/dbraw/zinc/32/03/40/622320340.db2.gz XBYHAWJCKGSWDO-CYBMUJFWSA-N 1 2 289.379 1.375 20 30 CDEDLO N#CCCN(CCC#N)C(=O)CNc1cccc[nH+]1 ZINC000900328361 622895958 /nfs/dbraw/zinc/89/59/58/622895958.db2.gz BXVNPTCJEKYDBC-UHFFFAOYSA-N 1 2 257.297 1.149 20 30 CDEDLO CC1=C(C(=O)C=Cc2c[nH+]cn2C)[C@@H](C)N2NN=NC2=N1 ZINC000901503605 624306100 /nfs/dbraw/zinc/30/61/00/624306100.db2.gz FDDVGTGHHUVANB-XRVBUDJMSA-N 1 2 285.311 1.222 20 30 CDEDLO C=CCN1CC[C@H](O[NH+]=C(N)Cc2ccccc2F)C1=O ZINC000902622769 625045075 /nfs/dbraw/zinc/04/50/75/625045075.db2.gz IKELVCTXTHYYMM-ZDUSSCGKSA-N 1 2 291.326 1.654 20 30 CDEDLO C#CCCN(CC(F)(F)F)C(=O)CNc1cccc[nH+]1 ZINC000907424397 627660341 /nfs/dbraw/zinc/66/03/41/627660341.db2.gz ANMQDJLUYHJMDF-UHFFFAOYSA-N 1 2 285.269 1.908 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC(C)=O ZINC000909085461 628506707 /nfs/dbraw/zinc/50/67/07/628506707.db2.gz DRHQZVDNALUSKV-AWEZNQCLSA-N 1 2 264.369 1.350 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC(C)=O ZINC000909085461 628506708 /nfs/dbraw/zinc/50/67/08/628506708.db2.gz DRHQZVDNALUSKV-AWEZNQCLSA-N 1 2 264.369 1.350 20 30 CDEDLO C=CCn1cc(CNC(=O)c2c(C)cc(C)[nH+]c2C)nn1 ZINC000911278039 629220771 /nfs/dbraw/zinc/22/07/71/629220771.db2.gz FVMKMGSQROHLQA-UHFFFAOYSA-N 1 2 285.351 1.714 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ocnc2C(F)F)C1 ZINC000923595587 630704604 /nfs/dbraw/zinc/70/46/04/630704604.db2.gz VVKCFEXVUQEDJA-VIFPVBQESA-N 1 2 283.278 1.440 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ocnc2C(F)F)C1 ZINC000923595587 630704606 /nfs/dbraw/zinc/70/46/06/630704606.db2.gz VVKCFEXVUQEDJA-VIFPVBQESA-N 1 2 283.278 1.440 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)Nc1cc(F)cc(C#N)c1 ZINC001648807906 1158563459 /nfs/dbraw/zinc/56/34/59/1158563459.db2.gz RVAMMSVOEDXTSZ-UHFFFAOYSA-N 1 2 258.256 1.612 20 30 CDEDLO C=CCN(CCC#N)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000793566073 1162430820 /nfs/dbraw/zinc/43/08/20/1162430820.db2.gz HYRGGCBGBIINSP-ZDUSSCGKSA-N 1 2 287.367 1.095 20 30 CDEDLO C=CCCC(=O)NC[C@@]1(C)C[N@H+](CC=C)CCO1 ZINC001107799407 1161324533 /nfs/dbraw/zinc/32/45/33/1161324533.db2.gz DRTSZTVQYZCQAY-AWEZNQCLSA-N 1 2 252.358 1.346 20 30 CDEDLO C=CCCC(=O)NC[C@@]1(C)C[N@@H+](CC=C)CCO1 ZINC001107799407 1161324535 /nfs/dbraw/zinc/32/45/35/1161324535.db2.gz DRTSZTVQYZCQAY-AWEZNQCLSA-N 1 2 252.358 1.346 20 30 CDEDLO C#CCOCCC(=O)N[C@H](C)[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001113166943 1162120348 /nfs/dbraw/zinc/12/03/48/1162120348.db2.gz ZAANIMSDNVFWOZ-VXGBXAGGSA-N 1 2 290.367 1.130 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2(CCOC)CCCC2)CC1 ZINC001113703707 1162260559 /nfs/dbraw/zinc/26/05/59/1162260559.db2.gz IHGCWYKPYDQLEU-UHFFFAOYSA-N 1 2 280.412 1.914 20 30 CDEDLO Cc1cccn2cc(CCNc3cncc(C#N)n3)[nH+]c12 ZINC001642355750 1167169320 /nfs/dbraw/zinc/16/93/20/1167169320.db2.gz FKTUMFYTZLZSOO-UHFFFAOYSA-N 1 2 278.319 1.959 20 30 CDEDLO CCS(=O)(=O)C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001645801667 1167512582 /nfs/dbraw/zinc/51/25/82/1167512582.db2.gz QVNMVSDWPHDCCK-VXGBXAGGSA-N 1 2 270.398 1.578 20 30 CDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1csc(C#N)c1 ZINC001647350295 1168600211 /nfs/dbraw/zinc/60/02/11/1168600211.db2.gz LKRLHLFILVOCOZ-GFCCVEGCSA-N 1 2 293.392 1.460 20 30 CDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1csc(C#N)c1 ZINC001647350295 1168600216 /nfs/dbraw/zinc/60/02/16/1168600216.db2.gz LKRLHLFILVOCOZ-GFCCVEGCSA-N 1 2 293.392 1.460 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCCC[NH2+]Cc1c[nH]nn1 ZINC001575071883 1171102608 /nfs/dbraw/zinc/10/26/08/1171102608.db2.gz DAIVSCBPYGPWKH-ZDUSSCGKSA-N 1 2 265.361 1.003 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCCC[NH2+]Cc1cn[nH]n1 ZINC001575071883 1171102615 /nfs/dbraw/zinc/10/26/15/1171102615.db2.gz DAIVSCBPYGPWKH-ZDUSSCGKSA-N 1 2 265.361 1.003 20 30 CDEDLO C=C[C@@H](COC)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001588525789 1173075577 /nfs/dbraw/zinc/07/55/77/1173075577.db2.gz KRKXCPPYEFAZPJ-ZJUUUORDSA-N 1 2 289.339 1.424 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001752396127 1184858014 /nfs/dbraw/zinc/85/80/14/1184858014.db2.gz ZDCUULVTMLPPFQ-CQSZACIVSA-N 1 2 290.411 1.775 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001752396127 1184858018 /nfs/dbraw/zinc/85/80/18/1184858018.db2.gz ZDCUULVTMLPPFQ-CQSZACIVSA-N 1 2 290.411 1.775 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001752411541 1184859449 /nfs/dbraw/zinc/85/94/49/1184859449.db2.gz JZWSXALTCHWYBH-JKSUJKDBSA-N 1 2 285.391 1.113 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001752411541 1184859456 /nfs/dbraw/zinc/85/94/56/1184859456.db2.gz JZWSXALTCHWYBH-JKSUJKDBSA-N 1 2 285.391 1.113 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](OCC)C(=C)C ZINC001752535908 1184877236 /nfs/dbraw/zinc/87/72/36/1184877236.db2.gz NPVIPZQONUNHQM-XHSDSOJGSA-N 1 2 290.407 1.666 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](OCC)C(=C)C ZINC001752535908 1184877243 /nfs/dbraw/zinc/87/72/43/1184877243.db2.gz NPVIPZQONUNHQM-XHSDSOJGSA-N 1 2 290.407 1.666 20 30 CDEDLO C#CCCCC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2noc(C)n2)C1 ZINC001752628274 1184885908 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C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2CCOCC2)C1 ZINC001006535272 755197585 /nfs/dbraw/zinc/19/75/85/755197585.db2.gz NJKYNUBYLVMHOM-ZDUSSCGKSA-N 1 2 286.803 1.746 20 30 CDEDLO C#CCCNc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000840262941 755361481 /nfs/dbraw/zinc/36/14/81/755361481.db2.gz JLPILEWLNVLUTO-NEPJUHHUSA-N 1 2 260.341 1.119 20 30 CDEDLO C#CCCNc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000840262941 755361490 /nfs/dbraw/zinc/36/14/90/755361490.db2.gz JLPILEWLNVLUTO-NEPJUHHUSA-N 1 2 260.341 1.119 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cncnc2)C1 ZINC001033033089 755390229 /nfs/dbraw/zinc/39/02/29/755390229.db2.gz PDLGHZTZCSYQDI-LBPRGKRZSA-N 1 2 280.759 1.375 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cncnc2)C1 ZINC001033033089 755390234 /nfs/dbraw/zinc/39/02/34/755390234.db2.gz PDLGHZTZCSYQDI-LBPRGKRZSA-N 1 2 280.759 1.375 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001075820309 755400321 /nfs/dbraw/zinc/40/03/21/755400321.db2.gz 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/nfs/dbraw/zinc/83/96/16/753839616.db2.gz JSNFZCRGXWKNBM-CYBMUJFWSA-N 1 2 271.364 1.331 20 30 CDEDLO C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cn[nH]n1 ZINC001054047259 753846524 /nfs/dbraw/zinc/84/65/24/753846524.db2.gz YALMIRWMJUKJPQ-AWEZNQCLSA-N 1 2 297.362 1.147 20 30 CDEDLO C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cn[nH]n1 ZINC001054047259 753846530 /nfs/dbraw/zinc/84/65/30/753846530.db2.gz YALMIRWMJUKJPQ-AWEZNQCLSA-N 1 2 297.362 1.147 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2oc(CCC)nc2C)C1 ZINC000923559817 753851228 /nfs/dbraw/zinc/85/12/28/753851228.db2.gz UHEOAUZFUJNWSD-CYBMUJFWSA-N 1 2 289.379 1.763 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2oc(CCC)nc2C)C1 ZINC000923559817 753851232 /nfs/dbraw/zinc/85/12/32/753851232.db2.gz UHEOAUZFUJNWSD-CYBMUJFWSA-N 1 2 289.379 1.763 20 30 CDEDLO C=CCN1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001008343511 753910151 /nfs/dbraw/zinc/91/01/51/753910151.db2.gz OCTUUWFCTPDJLL-CQSZACIVSA-N 1 2 291.395 1.721 20 30 CDEDLO C#CCC[N@H+]1CC[C@H](N(C)C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC001033407404 753917727 /nfs/dbraw/zinc/91/77/27/753917727.db2.gz OHIBOPXRDDKZBG-JTQLQIEISA-N 1 2 296.321 1.517 20 30 CDEDLO C#CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC001033407404 753917736 /nfs/dbraw/zinc/91/77/36/753917736.db2.gz OHIBOPXRDDKZBG-JTQLQIEISA-N 1 2 296.321 1.517 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2cccnc2C)C1 ZINC001043861115 753919864 /nfs/dbraw/zinc/91/98/64/753919864.db2.gz RIRIYSVAEASCEX-UHFFFAOYSA-N 1 2 273.380 1.651 20 30 CDEDLO Cc1cnc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC001027335151 754040520 /nfs/dbraw/zinc/04/05/20/754040520.db2.gz CJPRLYPSKHKUST-WCQYABFASA-N 1 2 290.367 1.566 20 30 CDEDLO Cc1cnc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC001027335151 754040525 /nfs/dbraw/zinc/04/05/25/754040525.db2.gz CJPRLYPSKHKUST-WCQYABFASA-N 1 2 290.367 1.566 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1C(C)C ZINC001018125605 754051121 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CDEDLO C#CCCOc1ccc(C(=O)NCc2c[nH+]cn2C)cc1 ZINC000832175405 754162603 /nfs/dbraw/zinc/16/26/03/754162603.db2.gz XVOCQUURKHRBRE-UHFFFAOYSA-N 1 2 283.331 1.752 20 30 CDEDLO N#Cc1cccc(OCCO[NH+]=C(N)Cc2cccnc2)c1 ZINC000181719473 754169947 /nfs/dbraw/zinc/16/99/47/754169947.db2.gz OEMJCCHIQVZBJI-UHFFFAOYSA-N 1 2 296.330 1.864 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)[C@@H]1CCCO1 ZINC001018214157 754202503 /nfs/dbraw/zinc/20/25/03/754202503.db2.gz BATRDJRJTUIWQN-WCVJEAGWSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)[C@@H]1CCCO1 ZINC001018214157 754202516 /nfs/dbraw/zinc/20/25/16/754202516.db2.gz BATRDJRJTUIWQN-WCVJEAGWSA-N 1 2 290.407 1.500 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cncc3nc[nH]c32)C1 ZINC001042753981 754228517 /nfs/dbraw/zinc/22/85/17/754228517.db2.gz HMMIJCNRDJMZJY-UHFFFAOYSA-N 1 2 285.351 1.290 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cscn1 ZINC000960505048 754234068 /nfs/dbraw/zinc/23/40/68/754234068.db2.gz YODUHLKTDUWHKX-YPMHNXCESA-N 1 2 292.408 1.726 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cscn1 ZINC000960505048 754234073 /nfs/dbraw/zinc/23/40/73/754234073.db2.gz YODUHLKTDUWHKX-YPMHNXCESA-N 1 2 292.408 1.726 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1coc2c1cccc2OC ZINC001038248976 754282410 /nfs/dbraw/zinc/28/24/10/754282410.db2.gz RBKADLJHLMJEQC-LBPRGKRZSA-N 1 2 298.342 1.879 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1coc2c1cccc2OC ZINC001038248976 754282419 /nfs/dbraw/zinc/28/24/19/754282419.db2.gz RBKADLJHLMJEQC-LBPRGKRZSA-N 1 2 298.342 1.879 20 30 CDEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(F)CC2)cc1 ZINC000880240786 754299802 /nfs/dbraw/zinc/29/98/02/754299802.db2.gz LUUZLGLCJCYBNS-CYBMUJFWSA-N 1 2 261.300 1.519 20 30 CDEDLO C#CCCCCCC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800196191 754321728 /nfs/dbraw/zinc/32/17/28/754321728.db2.gz BYABGKSZUNQVIB-AWEZNQCLSA-N 1 2 267.369 1.834 20 30 CDEDLO C#CCCCCCC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800196191 754321736 /nfs/dbraw/zinc/32/17/36/754321736.db2.gz BYABGKSZUNQVIB-AWEZNQCLSA-N 1 2 267.369 1.834 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(N(C)C)c1 ZINC001038959394 754334132 /nfs/dbraw/zinc/33/41/32/754334132.db2.gz BVKYJEAWRQUWPF-OAHLLOKOSA-N 1 2 271.364 1.190 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(N(C)C)c1 ZINC001038959394 754334135 /nfs/dbraw/zinc/33/41/35/754334135.db2.gz BVKYJEAWRQUWPF-OAHLLOKOSA-N 1 2 271.364 1.190 20 30 CDEDLO Cn1c(CC#N)nn(C[N@H+](C)C[C@H]2CC2(C)C)c1=S ZINC000853627817 754345841 /nfs/dbraw/zinc/34/58/41/754345841.db2.gz HAAZDCOPZVDPLF-SNVBAGLBSA-N 1 2 279.413 1.953 20 30 CDEDLO Cn1c(CC#N)nn(C[N@@H+](C)C[C@H]2CC2(C)C)c1=S ZINC000853627817 754345848 /nfs/dbraw/zinc/34/58/48/754345848.db2.gz HAAZDCOPZVDPLF-SNVBAGLBSA-N 1 2 279.413 1.953 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(Br)nn1C ZINC000309199425 754349565 /nfs/dbraw/zinc/34/95/65/754349565.db2.gz QZLWFBQBGLOOBN-QMMMGPOBSA-N 1 2 271.162 1.964 20 30 CDEDLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)O[NH+]=C(N)CCO ZINC000121409026 754360521 /nfs/dbraw/zinc/36/05/21/754360521.db2.gz HVOAOTFTQICSEK-RYUDHWBXSA-N 1 2 293.367 1.232 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)C1CCCC1 ZINC001032756453 754384701 /nfs/dbraw/zinc/38/47/01/754384701.db2.gz OZNRNRVOVPFISD-SOUVJXGZSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)C1CCCC1 ZINC001032756453 754384709 /nfs/dbraw/zinc/38/47/09/754384709.db2.gz OZNRNRVOVPFISD-SOUVJXGZSA-N 1 2 276.380 1.110 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC000837494997 754442246 /nfs/dbraw/zinc/44/22/46/754442246.db2.gz LEGGGFMCUOHPNF-GFCCVEGCSA-N 1 2 259.353 1.786 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2cc(F)ccc2OC)C1 ZINC001044078438 754451233 /nfs/dbraw/zinc/45/12/33/754451233.db2.gz WXGJZHCKOYWZNY-UHFFFAOYSA-N 1 2 292.354 1.705 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cn(C)cn2)CC[C@H]1C ZINC001071435487 754485987 /nfs/dbraw/zinc/48/59/87/754485987.db2.gz XLSTZEMDEWORPA-NEPJUHHUSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)cn2)CC[C@H]1C ZINC001071435487 754485992 /nfs/dbraw/zinc/48/59/92/754485992.db2.gz XLSTZEMDEWORPA-NEPJUHHUSA-N 1 2 296.802 1.755 20 30 CDEDLO CSc1ccccc1C[N@H+](C)CC(=O)NCCC#N ZINC000791598632 754497741 /nfs/dbraw/zinc/49/77/41/754497741.db2.gz LZKUIINZCFKDTO-UHFFFAOYSA-N 1 2 277.393 1.870 20 30 CDEDLO CSc1ccccc1C[N@@H+](C)CC(=O)NCCC#N ZINC000791598632 754497748 /nfs/dbraw/zinc/49/77/48/754497748.db2.gz LZKUIINZCFKDTO-UHFFFAOYSA-N 1 2 277.393 1.870 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccncc1C(F)(F)F ZINC001038872987 754506324 /nfs/dbraw/zinc/50/63/24/754506324.db2.gz FKWCDBSICYBSHV-JTQLQIEISA-N 1 2 297.280 1.538 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccncc1C(F)(F)F ZINC001038872987 754506327 /nfs/dbraw/zinc/50/63/27/754506327.db2.gz FKWCDBSICYBSHV-JTQLQIEISA-N 1 2 297.280 1.538 20 30 CDEDLO COC(=O)c1ccc(CO[NH+]=C(N)c2ccccc2)o1 ZINC000072807330 754511140 /nfs/dbraw/zinc/51/11/40/754511140.db2.gz CRHYUHCOPGXEPN-UHFFFAOYSA-N 1 2 274.276 1.903 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2nc[nH]n2)CC1 ZINC001006159784 754521823 /nfs/dbraw/zinc/52/18/23/754521823.db2.gz CFRSERUPQNKEHN-UHFFFAOYSA-N 1 2 283.763 1.094 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCc2cccnc21 ZINC000885379953 754539088 /nfs/dbraw/zinc/53/90/88/754539088.db2.gz GNGRCERCFQXRES-GJZGRUSLSA-N 1 2 283.375 1.673 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCc2cccnc21 ZINC000885379953 754539097 /nfs/dbraw/zinc/53/90/97/754539097.db2.gz GNGRCERCFQXRES-GJZGRUSLSA-N 1 2 283.375 1.673 20 30 CDEDLO C=CC[N@H+](CN1C(=O)[C@]2(CCCO2)[C@@H]1C1CC1)C1CC1 ZINC000840040805 754591621 /nfs/dbraw/zinc/59/16/21/754591621.db2.gz GLOCQQBMKGUXQH-HOCLYGCPSA-N 1 2 276.380 1.764 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)[C@]2(CCCO2)[C@@H]1C1CC1)C1CC1 ZINC000840040805 754591626 /nfs/dbraw/zinc/59/16/26/754591626.db2.gz GLOCQQBMKGUXQH-HOCLYGCPSA-N 1 2 276.380 1.764 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001024344730 754640299 /nfs/dbraw/zinc/64/02/99/754640299.db2.gz IURGCMJVQQWJJM-GFCCVEGCSA-N 1 2 282.775 1.747 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001024344730 754640310 /nfs/dbraw/zinc/64/03/10/754640310.db2.gz IURGCMJVQQWJJM-GFCCVEGCSA-N 1 2 282.775 1.747 20 30 CDEDLO C#CCC[N@@H+](CCOC)CN1CC(CC)(CC)OC1=O ZINC000853621030 754659407 /nfs/dbraw/zinc/65/94/07/754659407.db2.gz NPNKYLNXXTZBGX-UHFFFAOYSA-N 1 2 282.384 1.927 20 30 CDEDLO C#CCC[N@H+](CCOC)CN1CC(CC)(CC)OC1=O ZINC000853621030 754659410 /nfs/dbraw/zinc/65/94/10/754659410.db2.gz NPNKYLNXXTZBGX-UHFFFAOYSA-N 1 2 282.384 1.927 20 30 CDEDLO C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000866233120 754678047 /nfs/dbraw/zinc/67/80/47/754678047.db2.gz ROCOGEYVUPMSAW-BOTMBNHJSA-N 1 2 299.374 1.624 20 30 CDEDLO N#C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CCCC1 ZINC000921547195 754687319 /nfs/dbraw/zinc/68/73/19/754687319.db2.gz IWIGOSZNDHNGMC-OCCSQVGLSA-N 1 2 272.352 1.644 20 30 CDEDLO C#CC[NH2+][C@H]1CCN(C(=O)c2c(Cl)[nH]nc2C2CC2)C1 ZINC001018955286 754714601 /nfs/dbraw/zinc/71/46/01/754714601.db2.gz DZJOLONICRKTQY-JTQLQIEISA-N 1 2 292.770 1.378 20 30 CDEDLO CC[C@](C)(C#N)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000803787563 754744955 /nfs/dbraw/zinc/74/49/55/754744955.db2.gz XXDMCVQYHDYGAQ-MBNYWOFBSA-N 1 2 266.341 1.333 20 30 CDEDLO CC[C@](C)(C#N)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000803787563 754744959 /nfs/dbraw/zinc/74/49/59/754744959.db2.gz XXDMCVQYHDYGAQ-MBNYWOFBSA-N 1 2 266.341 1.333 20 30 CDEDLO C=C(C)CONC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000845595990 754746216 /nfs/dbraw/zinc/74/62/16/754746216.db2.gz MMZHQUYMDMUNCH-GFCCVEGCSA-N 1 2 264.329 1.737 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(F)cc2C)C1 ZINC001035582223 754748405 /nfs/dbraw/zinc/74/84/05/754748405.db2.gz BJSDBONRXIHELO-CQSZACIVSA-N 1 2 292.354 1.751 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(F)cc2C)C1 ZINC001035582223 754748413 /nfs/dbraw/zinc/74/84/13/754748413.db2.gz BJSDBONRXIHELO-CQSZACIVSA-N 1 2 292.354 1.751 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc[n+]([O-])cc2)C1 ZINC001032882901 754753866 /nfs/dbraw/zinc/75/38/66/754753866.db2.gz GMRUKPIJPLDXDC-CYBMUJFWSA-N 1 2 295.770 1.219 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc[n+]([O-])cc2)C1 ZINC001032882901 754753868 /nfs/dbraw/zinc/75/38/68/754753868.db2.gz GMRUKPIJPLDXDC-CYBMUJFWSA-N 1 2 295.770 1.219 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)C=CCC1 ZINC001032567355 754755229 /nfs/dbraw/zinc/75/52/29/754755229.db2.gz FIHDBOYACRYCHK-DZKIICNBSA-N 1 2 258.365 1.651 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)C=CCC1 ZINC001032567355 754755225 /nfs/dbraw/zinc/75/52/25/754755225.db2.gz FIHDBOYACRYCHK-DZKIICNBSA-N 1 2 258.365 1.651 20 30 CDEDLO CN(C)c1ncc(C=[NH+]O[C@@H]2CCCCO2)cn1 ZINC000814888265 754756596 /nfs/dbraw/zinc/75/65/96/754756596.db2.gz UBYOHFNCCFKBFZ-LLVKDONJSA-N 1 2 250.302 1.420 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1c(C)n[nH]c1C ZINC001032686746 754766024 /nfs/dbraw/zinc/76/60/24/754766024.db2.gz HKOBMLHJUWHQNL-SWHYSGLUSA-N 1 2 286.379 1.048 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1c(C)n[nH]c1C ZINC001032686746 754766036 /nfs/dbraw/zinc/76/60/36/754766036.db2.gz HKOBMLHJUWHQNL-SWHYSGLUSA-N 1 2 286.379 1.048 20 30 CDEDLO C#CC[N@H+]1CC[C@](C)(NC(=O)c2nc(Cl)cs2)C1 ZINC001046568545 754766546 /nfs/dbraw/zinc/76/65/46/754766546.db2.gz SZFTYWHVTPHXRF-LBPRGKRZSA-N 1 2 283.784 1.624 20 30 CDEDLO C#CC[N@@H+]1CC[C@](C)(NC(=O)c2nc(Cl)cs2)C1 ZINC001046568545 754766555 /nfs/dbraw/zinc/76/65/55/754766555.db2.gz SZFTYWHVTPHXRF-LBPRGKRZSA-N 1 2 283.784 1.624 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([NH2+]Cc2nncs2)C1 ZINC001019332443 754777162 /nfs/dbraw/zinc/77/71/62/754777162.db2.gz QLPJQNNQJHNDPU-FZMZJTMJSA-N 1 2 294.424 1.831 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C2CCC(OC)CC2)C1 ZINC001030872936 754824555 /nfs/dbraw/zinc/82/45/55/754824555.db2.gz UZXSQBWJUGVDPB-UHFFFAOYSA-N 1 2 264.369 1.015 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)co2)C1 ZINC001035479706 754843820 /nfs/dbraw/zinc/84/38/20/754843820.db2.gz CEZSHTYHBRZUBX-ZDUSSCGKSA-N 1 2 278.352 1.595 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)co2)C1 ZINC001035479706 754843824 /nfs/dbraw/zinc/84/38/24/754843824.db2.gz CEZSHTYHBRZUBX-ZDUSSCGKSA-N 1 2 278.352 1.595 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)=C1CCC1)CO2 ZINC001053798821 754922920 /nfs/dbraw/zinc/92/29/20/754922920.db2.gz DRXTXOMHFKGOJZ-HNNXBMFYSA-N 1 2 288.391 1.470 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ccc(C)c(OC)c2)C1 ZINC001030647291 754932106 /nfs/dbraw/zinc/93/21/06/754932106.db2.gz ZSKOZXQXHBLQKU-UHFFFAOYSA-N 1 2 288.391 1.923 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc3occc3[nH]2)C1 ZINC001030387129 754950517 /nfs/dbraw/zinc/95/05/17/754950517.db2.gz HUFOIMWIJUVELQ-UHFFFAOYSA-N 1 2 257.293 1.198 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)nc1 ZINC000857944103 754986750 /nfs/dbraw/zinc/98/67/50/754986750.db2.gz IWEFHHBXUCJJNU-GFCCVEGCSA-N 1 2 266.304 1.004 20 30 CDEDLO O=C(C#CC1CC1)N1CC[C@H]2OCC[N@@H+](CCCF)[C@H]2C1 ZINC001074235226 754992853 /nfs/dbraw/zinc/99/28/53/754992853.db2.gz DSOSLNBIXATBSL-LSDHHAIUSA-N 1 2 294.370 1.061 20 30 CDEDLO O=C(C#CC1CC1)N1CC[C@H]2OCC[N@H+](CCCF)[C@H]2C1 ZINC001074235226 754992857 /nfs/dbraw/zinc/99/28/57/754992857.db2.gz DSOSLNBIXATBSL-LSDHHAIUSA-N 1 2 294.370 1.061 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccsc1)CO2 ZINC001053732445 754996516 /nfs/dbraw/zinc/99/65/16/754996516.db2.gz VAPZWIRSKSMQQK-ZDUSSCGKSA-N 1 2 292.404 1.897 20 30 CDEDLO C=C(C)C[C@@H](CO)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000882898956 755011033 /nfs/dbraw/zinc/01/10/33/755011033.db2.gz ANXXZRYWWPHHSX-DZGCQCFKSA-N 1 2 296.411 1.073 20 30 CDEDLO C=C(C)C[C@@H](CO)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000882898956 755011038 /nfs/dbraw/zinc/01/10/38/755011038.db2.gz ANXXZRYWWPHHSX-DZGCQCFKSA-N 1 2 296.411 1.073 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001007266579 755021857 /nfs/dbraw/zinc/02/18/57/755021857.db2.gz FXMRVQHDKDPUMO-LLVKDONJSA-N 1 2 298.774 1.254 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001007266579 755021863 /nfs/dbraw/zinc/02/18/63/755021863.db2.gz FXMRVQHDKDPUMO-LLVKDONJSA-N 1 2 298.774 1.254 20 30 CDEDLO C#CCOCCN1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000879448393 755030961 /nfs/dbraw/zinc/03/09/61/755030961.db2.gz ROFVAGGKMDSUBW-UHFFFAOYSA-N 1 2 288.391 1.463 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H]2CCN(C(=O)C=C3CCC3)C[C@@H]21 ZINC001074212184 755035836 /nfs/dbraw/zinc/03/58/36/755035836.db2.gz LHCWAGHJYOFSQU-GJZGRUSLSA-N 1 2 276.380 1.584 20 30 CDEDLO C=CC[N@H+]1CCO[C@H]2CCN(C(=O)C=C3CCC3)C[C@@H]21 ZINC001074212184 755035840 /nfs/dbraw/zinc/03/58/40/755035840.db2.gz LHCWAGHJYOFSQU-GJZGRUSLSA-N 1 2 276.380 1.584 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1C(C)C ZINC001018125604 755036577 /nfs/dbraw/zinc/03/65/77/755036577.db2.gz WRDPIVULWSHXFT-FZKCQIBNSA-N 1 2 274.408 1.977 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1C(C)C ZINC001018125604 755036579 /nfs/dbraw/zinc/03/65/79/755036579.db2.gz WRDPIVULWSHXFT-FZKCQIBNSA-N 1 2 274.408 1.977 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001031990320 755049300 /nfs/dbraw/zinc/04/93/00/755049300.db2.gz WVCJTJCHHSOAIZ-VXGBXAGGSA-N 1 2 256.777 1.833 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(OCC=C)cc1 ZINC001038428752 755099778 /nfs/dbraw/zinc/09/97/78/755099778.db2.gz UCQOSENKINDPGL-HNNXBMFYSA-N 1 2 284.359 1.689 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OCC=C)cc1 ZINC001038428752 755099786 /nfs/dbraw/zinc/09/97/86/755099786.db2.gz UCQOSENKINDPGL-HNNXBMFYSA-N 1 2 284.359 1.689 20 30 CDEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3C)C2)CC1 ZINC001052061963 755104213 /nfs/dbraw/zinc/10/42/13/755104213.db2.gz AWFOETXGFQCBOX-OWCLPIDISA-N 1 2 291.439 1.437 20 30 CDEDLO C#Cc1cnc(N2CCC[N@H+](Cc3cscn3)CC2)nc1 ZINC000827548094 755140363 /nfs/dbraw/zinc/14/03/63/755140363.db2.gz MLTPEJYSPARXMJ-UHFFFAOYSA-N 1 2 299.403 1.627 20 30 CDEDLO C#Cc1cnc(N2CCC[N@@H+](Cc3cscn3)CC2)nc1 ZINC000827548094 755140366 /nfs/dbraw/zinc/14/03/66/755140366.db2.gz MLTPEJYSPARXMJ-UHFFFAOYSA-N 1 2 299.403 1.627 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccc[nH]3)C[C@@H]21 ZINC001074412758 755163143 /nfs/dbraw/zinc/16/31/43/755163143.db2.gz LYAWLCLSWBZDEY-LSDHHAIUSA-N 1 2 289.379 1.045 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccc[nH]3)C[C@@H]21 ZINC001074412758 755163156 /nfs/dbraw/zinc/16/31/56/755163156.db2.gz LYAWLCLSWBZDEY-LSDHHAIUSA-N 1 2 289.379 1.045 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)/C=C(\C)C1CC1)CCO2 ZINC001053174387 755183788 /nfs/dbraw/zinc/18/37/88/755183788.db2.gz FKAHJENGRJPKOC-GXDHUFHOSA-N 1 2 290.407 1.832 20 30 CDEDLO C#CC[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CC1 ZINC000811491010 755207940 /nfs/dbraw/zinc/20/79/40/755207940.db2.gz XOHWITCESTYVLF-UHFFFAOYSA-N 1 2 288.303 1.979 20 30 CDEDLO C#CC[N@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CC1 ZINC000811491010 755207942 /nfs/dbraw/zinc/20/79/42/755207942.db2.gz XOHWITCESTYVLF-UHFFFAOYSA-N 1 2 288.303 1.979 20 30 CDEDLO C=CCC(C)(C)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000796473388 755213460 /nfs/dbraw/zinc/21/34/60/755213460.db2.gz HKAOICLLKNCZJC-GFCCVEGCSA-N 1 2 255.358 1.853 20 30 CDEDLO C=CCC(C)(C)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000796473388 755213468 /nfs/dbraw/zinc/21/34/68/755213468.db2.gz HKAOICLLKNCZJC-GFCCVEGCSA-N 1 2 255.358 1.853 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2ncccn2)CC1 ZINC001001281576 755215681 /nfs/dbraw/zinc/21/56/81/755215681.db2.gz KEOIUFHFYUNCOE-UHFFFAOYSA-N 1 2 292.770 1.591 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2ncccn2)CC1 ZINC001001281576 755215686 /nfs/dbraw/zinc/21/56/86/755215686.db2.gz KEOIUFHFYUNCOE-UHFFFAOYSA-N 1 2 292.770 1.591 20 30 CDEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(-c2ccc(OC)nn2)no1 ZINC000852103626 755246540 /nfs/dbraw/zinc/24/65/40/755246540.db2.gz MZJUXLCKYREUAS-AWEZNQCLSA-N 1 2 287.323 1.427 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC000923561481 755248571 /nfs/dbraw/zinc/24/85/71/755248571.db2.gz ZEYBHUYGKPAPSB-GFCCVEGCSA-N 1 2 277.393 1.587 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC000923561481 755248573 /nfs/dbraw/zinc/24/85/73/755248573.db2.gz ZEYBHUYGKPAPSB-GFCCVEGCSA-N 1 2 277.393 1.587 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC001030773709 755263533 /nfs/dbraw/zinc/26/35/33/755263533.db2.gz OFABGNROEDRQEY-UHFFFAOYSA-N 1 2 297.358 1.614 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cnc(COC)s2)C1 ZINC001016414923 755276213 /nfs/dbraw/zinc/27/62/13/755276213.db2.gz PUZYCLPYWQPCDM-LLVKDONJSA-N 1 2 293.392 1.117 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cnc(COC)s2)C1 ZINC001016414923 755276217 /nfs/dbraw/zinc/27/62/17/755276217.db2.gz PUZYCLPYWQPCDM-LLVKDONJSA-N 1 2 293.392 1.117 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2CCC[C@H](OC)C2)C1 ZINC001042874397 755287922 /nfs/dbraw/zinc/28/79/22/755287922.db2.gz MCSPOQLQDIFZHY-ZFWWWQNUSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2F)C1 ZINC001035262771 755353092 /nfs/dbraw/zinc/35/30/92/755353092.db2.gz RZDBXHABNJYDQZ-CYBMUJFWSA-N 1 2 292.354 1.832 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccccc2F)C1 ZINC001035262771 755353095 /nfs/dbraw/zinc/35/30/95/755353095.db2.gz RZDBXHABNJYDQZ-CYBMUJFWSA-N 1 2 292.354 1.832 20 30 CDEDLO N#Cc1cccn(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1=O ZINC000789501443 755354851 /nfs/dbraw/zinc/35/48/51/755354851.db2.gz FIENNBVCCJCTGJ-KGLIPLIRSA-N 1 2 273.336 1.321 20 30 CDEDLO N#Cc1cccn(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1=O ZINC000789501443 755354856 /nfs/dbraw/zinc/35/48/56/755354856.db2.gz FIENNBVCCJCTGJ-KGLIPLIRSA-N 1 2 273.336 1.321 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(C3CC3)cnn2C)C1 ZINC001042887698 755356126 /nfs/dbraw/zinc/35/61/26/755356126.db2.gz JKBYLPAKUCJWCI-UHFFFAOYSA-N 1 2 286.379 1.077 20 30 CDEDLO N#Cc1ccccc1/C=C/C(=O)NCCc1[nH]cc[nH+]1 ZINC000174751838 755379739 /nfs/dbraw/zinc/37/97/39/755379739.db2.gz XGUOEDCTKFLQTO-AATRIKPKSA-N 1 2 266.304 1.653 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C1CCC1 ZINC001032471579 755396879 /nfs/dbraw/zinc/39/68/79/755396879.db2.gz ZYKSTSUJSKOHAV-QEJZJMRPSA-N 1 2 260.381 1.731 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C1CCC1 ZINC001032471579 755396887 /nfs/dbraw/zinc/39/68/87/755396887.db2.gz ZYKSTSUJSKOHAV-QEJZJMRPSA-N 1 2 260.381 1.731 20 30 CDEDLO C#CCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000840262944 755416093 /nfs/dbraw/zinc/41/60/93/755416093.db2.gz JLPILEWLNVLUTO-VXGBXAGGSA-N 1 2 260.341 1.119 20 30 CDEDLO C#CCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000840262944 755416096 /nfs/dbraw/zinc/41/60/96/755416096.db2.gz JLPILEWLNVLUTO-VXGBXAGGSA-N 1 2 260.341 1.119 20 30 CDEDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cncc(C#N)c2)C1 ZINC000930664671 755484271 /nfs/dbraw/zinc/48/42/71/755484271.db2.gz APXONWJECPALOX-CQSZACIVSA-N 1 2 287.367 1.189 20 30 CDEDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC000930664671 755484277 /nfs/dbraw/zinc/48/42/77/755484277.db2.gz APXONWJECPALOX-CQSZACIVSA-N 1 2 287.367 1.189 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c(F)ccc3ccncc32)C1 ZINC001030344929 755500732 /nfs/dbraw/zinc/50/07/32/755500732.db2.gz FGFOXSFXQBNSBN-UHFFFAOYSA-N 1 2 297.333 1.811 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NCC1(CC#N)CC1 ZINC000875553487 755501619 /nfs/dbraw/zinc/50/16/19/755501619.db2.gz APVYXRYRFSJNED-ZDUSSCGKSA-N 1 2 294.399 1.090 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)NCC1(CC#N)CC1 ZINC000875553487 755501628 /nfs/dbraw/zinc/50/16/28/755501628.db2.gz APVYXRYRFSJNED-ZDUSSCGKSA-N 1 2 294.399 1.090 20 30 CDEDLO CN(C[C@@H](O)c1cccc(C#N)c1)c1cc(CO)cc[nH+]1 ZINC000882524458 755542055 /nfs/dbraw/zinc/54/20/55/755542055.db2.gz PZJZXBLEQFPXLF-OAHLLOKOSA-N 1 2 283.331 1.615 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2csnc2C)C1 ZINC001035335188 755559741 /nfs/dbraw/zinc/55/97/41/755559741.db2.gz ZHTNDASUNDJPPY-GFCCVEGCSA-N 1 2 295.408 1.458 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2csnc2C)C1 ZINC001035335188 755559742 /nfs/dbraw/zinc/55/97/42/755559742.db2.gz ZHTNDASUNDJPPY-GFCCVEGCSA-N 1 2 295.408 1.458 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3(C)CC3)C[C@H]21 ZINC001074251788 755587148 /nfs/dbraw/zinc/58/71/48/755587148.db2.gz CKIJNBUYKIOYJF-KGLIPLIRSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3(C)CC3)C[C@H]21 ZINC001074251788 755587159 /nfs/dbraw/zinc/58/71/59/755587159.db2.gz CKIJNBUYKIOYJF-KGLIPLIRSA-N 1 2 276.380 1.112 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(=O)[nH]n1 ZINC001027730667 755594152 /nfs/dbraw/zinc/59/41/52/755594152.db2.gz VYQMJJGPZKVXOR-JTQLQIEISA-N 1 2 296.758 1.129 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(=O)[nH]n1 ZINC001027730667 755594160 /nfs/dbraw/zinc/59/41/60/755594160.db2.gz VYQMJJGPZKVXOR-JTQLQIEISA-N 1 2 296.758 1.129 20 30 CDEDLO C=C[C@](C)(O)c1cn(Cc2cc[nH+]c(N(C)C)c2)nn1 ZINC000881365975 755595124 /nfs/dbraw/zinc/59/51/24/755595124.db2.gz QPWCVVLUIZQNOH-AWEZNQCLSA-N 1 2 273.340 1.181 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2cnc(C)s2)C1 ZINC001032950647 755652951 /nfs/dbraw/zinc/65/29/51/755652951.db2.gz KSLCJGCZWWSGSL-NSHDSACASA-N 1 2 263.366 1.231 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccns2)C1 ZINC001033124652 755708795 /nfs/dbraw/zinc/70/87/95/755708795.db2.gz BGCKZJOZFIWCHW-NSHDSACASA-N 1 2 263.366 1.313 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2ccns2)C1 ZINC001033124652 755708799 /nfs/dbraw/zinc/70/87/99/755708799.db2.gz BGCKZJOZFIWCHW-NSHDSACASA-N 1 2 263.366 1.313 20 30 CDEDLO N#Cc1c(=O)n(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cc2c1CCCC2 ZINC000853575186 755716500 /nfs/dbraw/zinc/71/65/00/755716500.db2.gz BHDGNGJOBSOBTE-TZMCWYRMSA-N 1 2 283.375 1.898 20 30 CDEDLO N#Cc1c(=O)n(C[N@H+]2CC[C@@H]3C[C@@H]3C2)cc2c1CCCC2 ZINC000853575186 755716506 /nfs/dbraw/zinc/71/65/06/755716506.db2.gz BHDGNGJOBSOBTE-TZMCWYRMSA-N 1 2 283.375 1.898 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001030422550 755730212 /nfs/dbraw/zinc/73/02/12/755730212.db2.gz DQJXHUUEHUOCPR-UHFFFAOYSA-N 1 2 257.337 1.329 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C[C@@H](F)CC)cn1 ZINC001038931185 755740945 /nfs/dbraw/zinc/74/09/45/755740945.db2.gz HMHYLMVGKYNVLQ-ZFWWWQNUSA-N 1 2 289.354 1.615 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C[C@@H](F)CC)cn1 ZINC001038931185 755740951 /nfs/dbraw/zinc/74/09/51/755740951.db2.gz HMHYLMVGKYNVLQ-ZFWWWQNUSA-N 1 2 289.354 1.615 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H](OC)C2)C1 ZINC001043688403 755810329 /nfs/dbraw/zinc/81/03/29/755810329.db2.gz ROOUPDATNKZTLR-GXTWGEPZSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CC[N@@H+](CCS(=O)(=O)C(C)C)[C@H](C)COC ZINC000852356393 755811365 /nfs/dbraw/zinc/81/13/65/755811365.db2.gz CYOAKADYJBDZTD-GFCCVEGCSA-N 1 2 263.403 1.333 20 30 CDEDLO C=CC[N@H+](CCS(=O)(=O)C(C)C)[C@H](C)COC ZINC000852356393 755811366 /nfs/dbraw/zinc/81/13/66/755811366.db2.gz CYOAKADYJBDZTD-GFCCVEGCSA-N 1 2 263.403 1.333 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2CC2CC2)cc1 ZINC001051061429 755811403 /nfs/dbraw/zinc/81/14/03/755811403.db2.gz MPHOFHLUKPRYDH-QGZVFWFLSA-N 1 2 298.386 1.509 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2CC2CC2)cc1 ZINC001051061429 755811405 /nfs/dbraw/zinc/81/14/05/755811405.db2.gz MPHOFHLUKPRYDH-QGZVFWFLSA-N 1 2 298.386 1.509 20 30 CDEDLO CCN1C(=O)CN(C[N@H+](C)Cc2cccc(C#N)c2)C1=O ZINC000110098315 755811605 /nfs/dbraw/zinc/81/16/05/755811605.db2.gz ZNGJKUKYWPGCIR-UHFFFAOYSA-N 1 2 286.335 1.232 20 30 CDEDLO CCN1C(=O)CN(C[N@@H+](C)Cc2cccc(C#N)c2)C1=O ZINC000110098315 755811606 /nfs/dbraw/zinc/81/16/06/755811606.db2.gz ZNGJKUKYWPGCIR-UHFFFAOYSA-N 1 2 286.335 1.232 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1sccc1C ZINC001038017639 755823194 /nfs/dbraw/zinc/82/31/94/755823194.db2.gz RLDOGSGICPWLTA-LBPRGKRZSA-N 1 2 262.378 1.884 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1sccc1C ZINC001038017639 755823198 /nfs/dbraw/zinc/82/31/98/755823198.db2.gz RLDOGSGICPWLTA-LBPRGKRZSA-N 1 2 262.378 1.884 20 30 CDEDLO C#CC[N@@H+](C)C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000985445568 755837618 /nfs/dbraw/zinc/83/76/18/755837618.db2.gz KXUCHHXJKRNNQW-SNVBAGLBSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CC[N@H+](C)C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000985445568 755837625 /nfs/dbraw/zinc/83/76/25/755837625.db2.gz KXUCHHXJKRNNQW-SNVBAGLBSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CC[N@@H+](C)C1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000985445568 755837628 /nfs/dbraw/zinc/83/76/28/755837628.db2.gz KXUCHHXJKRNNQW-SNVBAGLBSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CC[N@H+](C)C1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000985445568 755837632 /nfs/dbraw/zinc/83/76/32/755837632.db2.gz KXUCHHXJKRNNQW-SNVBAGLBSA-N 1 2 280.265 1.443 20 30 CDEDLO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cnn(C)n1 ZINC000926551097 755871920 /nfs/dbraw/zinc/87/19/20/755871920.db2.gz RNJSMIWSSMRHBI-VIFPVBQESA-N 1 2 259.288 1.677 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CCC)on1 ZINC001032709433 755880392 /nfs/dbraw/zinc/88/03/92/755880392.db2.gz FAURDZUFKIGLAY-RYUDHWBXSA-N 1 2 275.352 1.712 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CCC)on1 ZINC001032709433 755880395 /nfs/dbraw/zinc/88/03/95/755880395.db2.gz FAURDZUFKIGLAY-RYUDHWBXSA-N 1 2 275.352 1.712 20 30 CDEDLO C#C[C@@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)C(C)C ZINC000838596769 755889594 /nfs/dbraw/zinc/88/95/94/755889594.db2.gz VYCPJTDTSQATBX-ZIAGYGMSSA-N 1 2 274.368 1.887 20 30 CDEDLO CCC(C#N)(CC)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913475808 755914249 /nfs/dbraw/zinc/91/42/49/755914249.db2.gz XZDQUENTQDCYGS-ZDUSSCGKSA-N 1 2 289.383 1.223 20 30 CDEDLO C=CCONC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000838707034 755964270 /nfs/dbraw/zinc/96/42/70/755964270.db2.gz FUTHJIDYTWAYBZ-JTQLQIEISA-N 1 2 250.302 1.416 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2nncs2)C1 ZINC001019237111 755986601 /nfs/dbraw/zinc/98/66/01/755986601.db2.gz PWYHGVZJNKEGOY-JTQLQIEISA-N 1 2 280.397 1.441 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2[nH]cnc2C)C1 ZINC001032229852 756018880 /nfs/dbraw/zinc/01/88/80/756018880.db2.gz NZGHNXMKWZTUFU-UHFFFAOYSA-N 1 2 268.748 1.132 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(C)no2)C1 ZINC001046128734 756052636 /nfs/dbraw/zinc/05/26/36/756052636.db2.gz RHGWCKQKKOLURM-ZDUSSCGKSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(C)no2)C1 ZINC001046128734 756052644 /nfs/dbraw/zinc/05/26/44/756052644.db2.gz RHGWCKQKKOLURM-ZDUSSCGKSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(C)CON=C(N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181841930 756066655 /nfs/dbraw/zinc/06/66/55/756066655.db2.gz YZOKPRRLZUOYLZ-OAHLLOKOSA-N 1 2 289.379 1.752 20 30 CDEDLO C=C(C)CON=C(N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181841930 756066661 /nfs/dbraw/zinc/06/66/61/756066661.db2.gz YZOKPRRLZUOYLZ-OAHLLOKOSA-N 1 2 289.379 1.752 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1C ZINC001017867742 756069556 /nfs/dbraw/zinc/06/95/56/756069556.db2.gz CAVAVDBBVMAYLZ-OKILXGFUSA-N 1 2 269.348 1.312 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1C ZINC001017867742 756069560 /nfs/dbraw/zinc/06/95/60/756069560.db2.gz CAVAVDBBVMAYLZ-OKILXGFUSA-N 1 2 269.348 1.312 20 30 CDEDLO C#CCC[C@H](O)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000799074544 756071743 /nfs/dbraw/zinc/07/17/43/756071743.db2.gz LFEUASOARRRGJP-HNNXBMFYSA-N 1 2 283.331 1.376 20 30 CDEDLO C#CC[C@@H]1CCN(C(=O)Nc2cc(C)[nH+]cc2C)C1 ZINC000887935574 756071967 /nfs/dbraw/zinc/07/19/67/756071967.db2.gz CEBKIVQIELWTNR-CYBMUJFWSA-N 1 2 257.337 1.997 20 30 CDEDLO CC[N@H+](CCSC)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000842646557 756078624 /nfs/dbraw/zinc/07/86/24/756078624.db2.gz MWFLWBWYGUMZBI-UHFFFAOYSA-N 1 2 291.420 1.851 20 30 CDEDLO CC[N@@H+](CCSC)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000842646557 756078627 /nfs/dbraw/zinc/07/86/27/756078627.db2.gz MWFLWBWYGUMZBI-UHFFFAOYSA-N 1 2 291.420 1.851 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CC23CC(OCC)C3)C1 ZINC001043856330 756097824 /nfs/dbraw/zinc/09/78/24/756097824.db2.gz LITWOEGUBICFGA-NPCAHTBFSA-N 1 2 278.396 1.520 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2ccccc2C1 ZINC001038754951 756099337 /nfs/dbraw/zinc/09/93/37/756099337.db2.gz MMDWUMNHYIWVKH-IAGOWNOFSA-N 1 2 282.387 1.615 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2ccccc2C1 ZINC001038754951 756099342 /nfs/dbraw/zinc/09/93/42/756099342.db2.gz MMDWUMNHYIWVKH-IAGOWNOFSA-N 1 2 282.387 1.615 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cncc(C)c2)C1 ZINC001035325843 756103631 /nfs/dbraw/zinc/10/36/31/756103631.db2.gz DDKSBEWSMBQWGR-HNNXBMFYSA-N 1 2 289.379 1.397 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cncc(C)c2)C1 ZINC001035325843 756103634 /nfs/dbraw/zinc/10/36/34/756103634.db2.gz DDKSBEWSMBQWGR-HNNXBMFYSA-N 1 2 289.379 1.397 20 30 CDEDLO CC[N@@H+]1CCO[C@H](C(=O)OCC#Cc2ccc(F)cc2)C1 ZINC000805475124 756109966 /nfs/dbraw/zinc/10/99/66/756109966.db2.gz XQILFAMXMCDVAZ-HNNXBMFYSA-N 1 2 291.322 1.441 20 30 CDEDLO CC[N@H+]1CCO[C@H](C(=O)OCC#Cc2ccc(F)cc2)C1 ZINC000805475124 756109970 /nfs/dbraw/zinc/10/99/70/756109970.db2.gz XQILFAMXMCDVAZ-HNNXBMFYSA-N 1 2 291.322 1.441 20 30 CDEDLO C#CCOCC[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C ZINC000851930796 756112873 /nfs/dbraw/zinc/11/28/73/756112873.db2.gz CFKZWDWHTODYFL-LBPRGKRZSA-N 1 2 255.358 1.592 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nccc(C(F)F)n1 ZINC000807890700 756195670 /nfs/dbraw/zinc/19/56/70/756195670.db2.gz FXIZBCVLEBTWDC-NSHDSACASA-N 1 2 294.305 1.128 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nccc(C(F)F)n1 ZINC000807890700 756195677 /nfs/dbraw/zinc/19/56/77/756195677.db2.gz FXIZBCVLEBTWDC-NSHDSACASA-N 1 2 294.305 1.128 20 30 CDEDLO Cc1cncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C)C#N)c1 ZINC001032319300 756261239 /nfs/dbraw/zinc/26/12/39/756261239.db2.gz NAVJIAGMIDSORN-QEJZJMRPSA-N 1 2 284.363 1.335 20 30 CDEDLO Cc1cncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C)C#N)c1 ZINC001032319300 756261253 /nfs/dbraw/zinc/26/12/53/756261253.db2.gz NAVJIAGMIDSORN-QEJZJMRPSA-N 1 2 284.363 1.335 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2cnccc2o1 ZINC001038466438 756264922 /nfs/dbraw/zinc/26/49/22/756264922.db2.gz RNOMRHXUGDOKGK-LBPRGKRZSA-N 1 2 271.320 1.818 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc2cnccc2o1 ZINC001038466438 756264926 /nfs/dbraw/zinc/26/49/26/756264926.db2.gz RNOMRHXUGDOKGK-LBPRGKRZSA-N 1 2 271.320 1.818 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCCC(C)(C)C ZINC000884150715 756282135 /nfs/dbraw/zinc/28/21/35/756282135.db2.gz UMFZZHUIKVFQOD-NSHDSACASA-N 1 2 270.373 1.376 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000822224700 756304269 /nfs/dbraw/zinc/30/42/69/756304269.db2.gz WCYSRFRRPUXSFC-ZDUSSCGKSA-N 1 2 292.404 1.431 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnccc1C ZINC001017444740 756313225 /nfs/dbraw/zinc/31/32/25/756313225.db2.gz XCPSRUXJDSVACG-OKILXGFUSA-N 1 2 269.348 1.312 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnccc1C ZINC001017444740 756313231 /nfs/dbraw/zinc/31/32/31/756313231.db2.gz XCPSRUXJDSVACG-OKILXGFUSA-N 1 2 269.348 1.312 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2sc(C)nc2C)C1 ZINC001035599505 756318831 /nfs/dbraw/zinc/31/88/31/756318831.db2.gz IVZPSMCWADNASK-LBPRGKRZSA-N 1 2 295.408 1.377 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2sc(C)nc2C)C1 ZINC001035599505 756318837 /nfs/dbraw/zinc/31/88/37/756318837.db2.gz IVZPSMCWADNASK-LBPRGKRZSA-N 1 2 295.408 1.377 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2oc(C)nc2C)C1 ZINC001035323940 756325566 /nfs/dbraw/zinc/32/55/66/756325566.db2.gz NNZIKJSVKUFGCD-CYBMUJFWSA-N 1 2 293.367 1.298 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2oc(C)nc2C)C1 ZINC001035323940 756325572 /nfs/dbraw/zinc/32/55/72/756325572.db2.gz NNZIKJSVKUFGCD-CYBMUJFWSA-N 1 2 293.367 1.298 20 30 CDEDLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1cc(C#N)ccc1OC ZINC000933216339 756329811 /nfs/dbraw/zinc/32/98/11/756329811.db2.gz GCPFKKRQZBLNSP-CQSZACIVSA-N 1 2 287.363 1.667 20 30 CDEDLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC000933216339 756329817 /nfs/dbraw/zinc/32/98/17/756329817.db2.gz GCPFKKRQZBLNSP-CQSZACIVSA-N 1 2 287.363 1.667 20 30 CDEDLO Cc1nc(N[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C)cc[nH+]1 ZINC001068840053 756337619 /nfs/dbraw/zinc/33/76/19/756337619.db2.gz YQTHUFWFTJVNJN-BXUZGUMPSA-N 1 2 284.363 1.600 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC000884102655 756338965 /nfs/dbraw/zinc/33/89/65/756338965.db2.gz JFCKYYMJOFTVIM-UPJWGTAASA-N 1 2 282.384 1.376 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC001027336962 756342172 /nfs/dbraw/zinc/34/21/72/756342172.db2.gz WMJJWMZSVOKDFJ-CHWSQXEVSA-N 1 2 287.367 1.059 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC001027336962 756342178 /nfs/dbraw/zinc/34/21/78/756342178.db2.gz WMJJWMZSVOKDFJ-CHWSQXEVSA-N 1 2 287.367 1.059 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)COC2 ZINC001038810812 756352302 /nfs/dbraw/zinc/35/23/02/756352302.db2.gz FAWRVGZEQZQGCQ-INIZCTEOSA-N 1 2 284.359 1.544 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)COC2 ZINC001038810812 756352305 /nfs/dbraw/zinc/35/23/05/756352305.db2.gz FAWRVGZEQZQGCQ-INIZCTEOSA-N 1 2 284.359 1.544 20 30 CDEDLO COCC#CC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC000776606880 756376127 /nfs/dbraw/zinc/37/61/27/756376127.db2.gz PDNRTVIYWLIQLE-KBPBESRZSA-N 1 2 296.411 1.966 20 30 CDEDLO COCC#CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC000776606880 756376128 /nfs/dbraw/zinc/37/61/28/756376128.db2.gz PDNRTVIYWLIQLE-KBPBESRZSA-N 1 2 296.411 1.966 20 30 CDEDLO C[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](C)[NH+]1CCOCC1 ZINC000837399299 756379518 /nfs/dbraw/zinc/37/95/18/756379518.db2.gz RFVVVEJKWVCCDI-CHWSQXEVSA-N 1 2 266.385 1.261 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CN(C(=O)C(F)C(F)(F)F)C[C@H]2C1 ZINC001048833746 756444748 /nfs/dbraw/zinc/44/47/48/756444748.db2.gz URECFQXYHYKQCA-AXFHLTTASA-N 1 2 292.276 1.300 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CN(C(=O)C(F)C(F)(F)F)C[C@H]2C1 ZINC001048833746 756444765 /nfs/dbraw/zinc/44/47/65/756444765.db2.gz URECFQXYHYKQCA-AXFHLTTASA-N 1 2 292.276 1.300 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]2C1 ZINC001048833746 756444776 /nfs/dbraw/zinc/44/47/76/756444776.db2.gz URECFQXYHYKQCA-AXFHLTTASA-N 1 2 292.276 1.300 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]2C1 ZINC001048833746 756444791 /nfs/dbraw/zinc/44/47/91/756444791.db2.gz URECFQXYHYKQCA-AXFHLTTASA-N 1 2 292.276 1.300 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cscn2)C1 ZINC001033477778 756448139 /nfs/dbraw/zinc/44/81/39/756448139.db2.gz QRPHUKORZZDBMX-GFCCVEGCSA-N 1 2 299.827 1.971 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cscn2)C1 ZINC001033477778 756448170 /nfs/dbraw/zinc/44/81/70/756448170.db2.gz QRPHUKORZZDBMX-GFCCVEGCSA-N 1 2 299.827 1.971 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnn1[C@@H](C)CC ZINC001038306721 756467802 /nfs/dbraw/zinc/46/78/02/756467802.db2.gz BHVMSZOMODTFRP-STQMWFEESA-N 1 2 274.368 1.291 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnn1[C@@H](C)CC ZINC001038306721 756467826 /nfs/dbraw/zinc/46/78/26/756467826.db2.gz BHVMSZOMODTFRP-STQMWFEESA-N 1 2 274.368 1.291 20 30 CDEDLO Cc1ncc(C[N@H+]2CCCN(C(=O)[C@H](C)C#N)CC2)o1 ZINC000980849752 756471736 /nfs/dbraw/zinc/47/17/36/756471736.db2.gz MVBMCHHQVGILEC-LLVKDONJSA-N 1 2 276.340 1.177 20 30 CDEDLO Cc1ncc(C[N@@H+]2CCCN(C(=O)[C@H](C)C#N)CC2)o1 ZINC000980849752 756471740 /nfs/dbraw/zinc/47/17/40/756471740.db2.gz MVBMCHHQVGILEC-LLVKDONJSA-N 1 2 276.340 1.177 20 30 CDEDLO Cc1nc(C)c(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)o1 ZINC000809967074 756513323 /nfs/dbraw/zinc/51/33/23/756513323.db2.gz YZMDGQOFYSVQDD-AWEZNQCLSA-N 1 2 276.384 1.957 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCOC3(C[NH+](CCC)C3)C2)cc1 ZINC001053369644 756532623 /nfs/dbraw/zinc/53/26/23/756532623.db2.gz CLHZBAQEGWURGR-UHFFFAOYSA-N 1 2 298.386 1.605 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccccc1 ZINC001038797161 756549947 /nfs/dbraw/zinc/54/99/47/756549947.db2.gz RPXPYPQBKPMJKO-BBWFWOEESA-N 1 2 298.386 1.588 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccccc1 ZINC001038797161 756549958 /nfs/dbraw/zinc/54/99/58/756549958.db2.gz RPXPYPQBKPMJKO-BBWFWOEESA-N 1 2 298.386 1.588 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC1(F)F ZINC001050911552 756600016 /nfs/dbraw/zinc/60/00/16/756600016.db2.gz SXOXCHQISIWICE-WDEREUQCSA-N 1 2 274.311 1.035 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC1(F)F ZINC001050911552 756600024 /nfs/dbraw/zinc/60/00/24/756600024.db2.gz SXOXCHQISIWICE-WDEREUQCSA-N 1 2 274.311 1.035 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001065703231 756604668 /nfs/dbraw/zinc/60/46/68/756604668.db2.gz ADANPCLPGQVMFO-OAHLLOKOSA-N 1 2 293.411 1.108 20 30 CDEDLO c1ccc(C[N@@H+]2CCC(=NN[C@@H]3CCOC3)C2)cc1 ZINC000788457469 756632291 /nfs/dbraw/zinc/63/22/91/756632291.db2.gz SNABTGHADAMPCN-OAHLLOKOSA-N 1 2 259.353 1.627 20 30 CDEDLO c1ccc(C[N@H+]2CCC(=NN[C@@H]3CCOC3)C2)cc1 ZINC000788457469 756632299 /nfs/dbraw/zinc/63/22/99/756632299.db2.gz SNABTGHADAMPCN-OAHLLOKOSA-N 1 2 259.353 1.627 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(CC2CC2)n1 ZINC001038858424 756666471 /nfs/dbraw/zinc/66/64/71/756666471.db2.gz JPBNIYDEXMDORV-ZDUSSCGKSA-N 1 2 287.363 1.455 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1coc(CC2CC2)n1 ZINC001038858424 756666476 /nfs/dbraw/zinc/66/64/76/756666476.db2.gz JPBNIYDEXMDORV-ZDUSSCGKSA-N 1 2 287.363 1.455 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC)cc1 ZINC000093050294 756677513 /nfs/dbraw/zinc/67/75/13/756677513.db2.gz KBCZLLOMSLVHGJ-HNNXBMFYSA-N 1 2 272.348 1.409 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC)cc1 ZINC000093050294 756677520 /nfs/dbraw/zinc/67/75/20/756677520.db2.gz KBCZLLOMSLVHGJ-HNNXBMFYSA-N 1 2 272.348 1.409 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccoc1)CO2 ZINC001053737539 756704226 /nfs/dbraw/zinc/70/42/26/756704226.db2.gz QATLVZUIUUXGRI-ZDUSSCGKSA-N 1 2 276.336 1.429 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874888498 756796956 /nfs/dbraw/zinc/79/69/56/756796956.db2.gz PDISRKBSJDDMPC-RISCZKNCSA-N 1 2 275.327 1.848 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn(CCF)c2)C1 ZINC001043183064 756803386 /nfs/dbraw/zinc/80/33/86/756803386.db2.gz FIXXGGZVKLKXEO-UHFFFAOYSA-N 1 2 280.347 1.185 20 30 CDEDLO CC(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001027710135 756810039 /nfs/dbraw/zinc/81/00/39/756810039.db2.gz LRCOFSKXPKJTST-OAHLLOKOSA-N 1 2 275.327 1.798 20 30 CDEDLO CC(=O)NC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001027710135 756810040 /nfs/dbraw/zinc/81/00/40/756810040.db2.gz LRCOFSKXPKJTST-OAHLLOKOSA-N 1 2 275.327 1.798 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccoc2C2CC2)CC1 ZINC000798943457 756810816 /nfs/dbraw/zinc/81/08/16/756810816.db2.gz KPCVQCPOSFQPQB-UHFFFAOYSA-N 1 2 272.348 1.938 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2cnc(C)s2)CC[C@H]1C ZINC001071381385 756814662 /nfs/dbraw/zinc/81/46/62/756814662.db2.gz NLNZKIMCDZAXGF-ZYHUDNBSSA-N 1 2 277.393 1.667 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2cnc(C)s2)CC[C@H]1C ZINC001071381385 756814663 /nfs/dbraw/zinc/81/46/63/756814663.db2.gz NLNZKIMCDZAXGF-ZYHUDNBSSA-N 1 2 277.393 1.667 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CC=CC1 ZINC001050851618 756825921 /nfs/dbraw/zinc/82/59/21/756825921.db2.gz GZOMBXDCBIKIOI-AWEZNQCLSA-N 1 2 264.369 1.346 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C1CC=CC1 ZINC001050851618 756825923 /nfs/dbraw/zinc/82/59/23/756825923.db2.gz GZOMBXDCBIKIOI-AWEZNQCLSA-N 1 2 264.369 1.346 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(CCC)n1 ZINC001038919227 756830314 /nfs/dbraw/zinc/83/03/14/756830314.db2.gz CODOGTFIADBAHD-GFCCVEGCSA-N 1 2 275.352 1.455 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(CCC)n1 ZINC001038919227 756830318 /nfs/dbraw/zinc/83/03/18/756830318.db2.gz CODOGTFIADBAHD-GFCCVEGCSA-N 1 2 275.352 1.455 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnoc2-c2ccco2)C1 ZINC001030544628 756831028 /nfs/dbraw/zinc/83/10/28/756831028.db2.gz RRHGTZUUIKOPOZ-UHFFFAOYSA-N 1 2 285.303 1.372 20 30 CDEDLO C#CC1(F)CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC000881937954 756837721 /nfs/dbraw/zinc/83/77/21/756837721.db2.gz CABBFPSZJWSJSR-GFCCVEGCSA-N 1 2 263.316 1.654 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2=COCCC2)C1 ZINC001042530851 756840257 /nfs/dbraw/zinc/84/02/57/756840257.db2.gz MHVUTGQSSBEQJC-UHFFFAOYSA-N 1 2 250.342 1.399 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)c1cccc2[nH+]ccn21 ZINC000775567199 756844072 /nfs/dbraw/zinc/84/40/72/756844072.db2.gz IPQARPBZGPNDQD-NSHDSACASA-N 1 2 259.309 1.249 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(C(C)C)nc1C ZINC001038781612 756846952 /nfs/dbraw/zinc/84/69/52/756846952.db2.gz MDYMBYCCNWXNNV-ZDUSSCGKSA-N 1 2 286.379 1.346 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(C(C)C)nc1C ZINC001038781612 756846953 /nfs/dbraw/zinc/84/69/53/756846953.db2.gz MDYMBYCCNWXNNV-ZDUSSCGKSA-N 1 2 286.379 1.346 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]([NH2+]Cc2nncs2)C1 ZINC001019332444 756847305 /nfs/dbraw/zinc/84/73/05/756847305.db2.gz QLPJQNNQJHNDPU-SMDDNHRTSA-N 1 2 294.424 1.831 20 30 CDEDLO Cc1ccc(NC(=O)c2ccc(C#N)n2C)c(N(C)C)[nH+]1 ZINC000827557863 756854443 /nfs/dbraw/zinc/85/44/43/756854443.db2.gz QKFPGUMXARTCQV-UHFFFAOYSA-N 1 2 283.335 1.919 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2cc[nH]c2C2CC2)C1 ZINC001043670999 756878957 /nfs/dbraw/zinc/87/89/57/756878957.db2.gz YXYHCHNYGDREEI-UHFFFAOYSA-N 1 2 259.353 1.834 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2oncc2C(=O)OC)CC1 ZINC000886778560 756881269 /nfs/dbraw/zinc/88/12/69/756881269.db2.gz HIDRWYQTIMSQHW-UHFFFAOYSA-N 1 2 280.324 1.364 20 30 CDEDLO CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000843424989 756888929 /nfs/dbraw/zinc/88/89/29/756888929.db2.gz CNUSCQLVAVQYSH-ZDUSSCGKSA-N 1 2 282.775 1.486 20 30 CDEDLO CCc1nn(C)c(Cl)c1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000843424989 756888932 /nfs/dbraw/zinc/88/89/32/756888932.db2.gz CNUSCQLVAVQYSH-ZDUSSCGKSA-N 1 2 282.775 1.486 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccn2CC)C1 ZINC001035609073 756897505 /nfs/dbraw/zinc/89/75/05/756897505.db2.gz JGBSLCDNKFECJN-CQSZACIVSA-N 1 2 291.395 1.515 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cccn2CC)C1 ZINC001035609073 756897506 /nfs/dbraw/zinc/89/75/06/756897506.db2.gz JGBSLCDNKFECJN-CQSZACIVSA-N 1 2 291.395 1.515 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)c1cccc2[nH+]ccn21 ZINC000775567198 756916412 /nfs/dbraw/zinc/91/64/12/756916412.db2.gz IPQARPBZGPNDQD-LLVKDONJSA-N 1 2 259.309 1.249 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)C[C@@H]2COC(C)(C)O2)n1 ZINC000851996670 756987322 /nfs/dbraw/zinc/98/73/22/756987322.db2.gz YUTUQBCUUGZOGZ-CQSZACIVSA-N 1 2 277.368 1.490 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)C[C@@H]2COC(C)(C)O2)n1 ZINC000851996670 756987338 /nfs/dbraw/zinc/98/73/38/756987338.db2.gz YUTUQBCUUGZOGZ-CQSZACIVSA-N 1 2 277.368 1.490 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2[nH]nnc2C)CC[C@H]1C ZINC001071731916 756987372 /nfs/dbraw/zinc/98/73/72/756987372.db2.gz MLMDGZAUZGLRQM-KOLCDFICSA-N 1 2 297.790 1.448 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2[nH]nnc2C)CC[C@H]1C ZINC001071731916 756987390 /nfs/dbraw/zinc/98/73/90/756987390.db2.gz MLMDGZAUZGLRQM-KOLCDFICSA-N 1 2 297.790 1.448 20 30 CDEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C(C)(C)CC)C2)CC1 ZINC001052070643 756993904 /nfs/dbraw/zinc/99/39/04/756993904.db2.gz KORGRIKBXRZTPV-OAHLLOKOSA-N 1 2 291.439 1.274 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccco1 ZINC001018084885 757093281 /nfs/dbraw/zinc/09/32/81/757093281.db2.gz CJDMASYWXPTANS-OKILXGFUSA-N 1 2 272.348 1.521 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccco1 ZINC001018084885 757093286 /nfs/dbraw/zinc/09/32/86/757093286.db2.gz CJDMASYWXPTANS-OKILXGFUSA-N 1 2 272.348 1.521 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2ncccc2OC)C1 ZINC001030845219 757100134 /nfs/dbraw/zinc/10/01/34/757100134.db2.gz BEBXOLRVOPLKMR-UHFFFAOYSA-N 1 2 275.352 1.009 20 30 CDEDLO CC(C)(C)C#CC(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000825100154 757313450 /nfs/dbraw/zinc/31/34/50/757313450.db2.gz WAJODNOGYDFDAD-UHFFFAOYSA-N 1 2 299.418 1.818 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC[C@H](OC)C2)C1 ZINC001031791422 757332702 /nfs/dbraw/zinc/33/27/02/757332702.db2.gz IOKJOOGGHYDKOM-OLZOCXBDSA-N 1 2 286.803 1.602 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800211192 757350812 /nfs/dbraw/zinc/35/08/12/757350812.db2.gz SOXBGVXDMQHMFR-ZFWWWQNUSA-N 1 2 285.384 1.479 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800211192 757350825 /nfs/dbraw/zinc/35/08/25/757350825.db2.gz SOXBGVXDMQHMFR-ZFWWWQNUSA-N 1 2 285.384 1.479 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1n[nH]c(CC)c1Cl ZINC001038356548 757362302 /nfs/dbraw/zinc/36/23/02/757362302.db2.gz JYHZKGNVHGVTPT-SNVBAGLBSA-N 1 2 294.786 1.453 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1n[nH]c(CC)c1Cl ZINC001038356548 757362321 /nfs/dbraw/zinc/36/23/21/757362321.db2.gz JYHZKGNVHGVTPT-SNVBAGLBSA-N 1 2 294.786 1.453 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc(CC)on2)CC1 ZINC000989508414 757375512 /nfs/dbraw/zinc/37/55/12/757375512.db2.gz GTXSLCREQQULPL-UHFFFAOYSA-N 1 2 261.325 1.018 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2cc(CC)on2)CC1 ZINC000989508414 757375499 /nfs/dbraw/zinc/37/54/99/757375499.db2.gz GTXSLCREQQULPL-UHFFFAOYSA-N 1 2 261.325 1.018 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(CC)c[nH]c2=O)C1 ZINC001031181491 757516210 /nfs/dbraw/zinc/51/62/10/757516210.db2.gz SONGKWOJQKQDHF-UHFFFAOYSA-N 1 2 275.352 1.340 20 30 CDEDLO C=CC(C)(C)CC(=O)N[C@@H](Cn1cc[nH+]c1)C(=O)OC ZINC000879548787 757827619 /nfs/dbraw/zinc/82/76/19/757827619.db2.gz WSAMBUXILBXKDB-NSHDSACASA-N 1 2 279.340 1.143 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)C1 ZINC001031214844 757838806 /nfs/dbraw/zinc/83/88/06/757838806.db2.gz OFPNEUVDXYDAJR-ZBFHGGJFSA-N 1 2 292.423 1.651 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc[nH]c3)C[C@H]21 ZINC001074244113 757935178 /nfs/dbraw/zinc/93/51/78/757935178.db2.gz DJZKKQDFJLIMTL-HUUCEWRRSA-N 1 2 289.379 1.506 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc[nH]c3)C[C@H]21 ZINC001074244113 757935189 /nfs/dbraw/zinc/93/51/89/757935189.db2.gz DJZKKQDFJLIMTL-HUUCEWRRSA-N 1 2 289.379 1.506 20 30 CDEDLO C[N@H+](CC(=O)Nc1cc(C#N)ccc1O)[C@H]1CCSC1 ZINC000127138101 757984910 /nfs/dbraw/zinc/98/49/10/757984910.db2.gz WNTLPLRMTIDWCO-NSHDSACASA-N 1 2 291.376 1.640 20 30 CDEDLO C[N@@H+](CC(=O)Nc1cc(C#N)ccc1O)[C@H]1CCSC1 ZINC000127138101 757984927 /nfs/dbraw/zinc/98/49/27/757984927.db2.gz WNTLPLRMTIDWCO-NSHDSACASA-N 1 2 291.376 1.640 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2Cc3ccccc3O2)C1 ZINC001030358803 757990044 /nfs/dbraw/zinc/99/00/44/757990044.db2.gz HSSAOPRLULVWKO-AWEZNQCLSA-N 1 2 272.348 1.367 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@H](C(=O)OCC)C1 ZINC000932648281 758038755 /nfs/dbraw/zinc/03/87/55/758038755.db2.gz VHIZBMKDBNLYTG-VIFPVBQESA-N 1 2 262.147 1.780 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@H](C(=O)OCC)C1 ZINC000932648281 758038767 /nfs/dbraw/zinc/03/87/67/758038767.db2.gz VHIZBMKDBNLYTG-VIFPVBQESA-N 1 2 262.147 1.780 20 30 CDEDLO N#CCN[C@@H]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000981223969 758084310 /nfs/dbraw/zinc/08/43/10/758084310.db2.gz QHIYQCGJGJCEFU-CHWSQXEVSA-N 1 2 297.362 1.488 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCC(=O)N2CCCCC2)ccc1F ZINC000063458067 758219167 /nfs/dbraw/zinc/21/91/67/758219167.db2.gz RFCKITKXFIVDQH-UHFFFAOYSA-N 1 2 293.342 1.784 20 30 CDEDLO CN(C)c1[nH+]cc(CN=Nc2cncc(Cl)n2)n1C ZINC000811638725 758289420 /nfs/dbraw/zinc/28/94/20/758289420.db2.gz XRRKHHZRRFDDHC-UHFFFAOYSA-N 1 2 279.735 1.376 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1C1CC1 ZINC001017703794 758292315 /nfs/dbraw/zinc/29/23/15/758292315.db2.gz DCJMXZPGVHCARD-GASCZTMLSA-N 1 2 295.386 1.881 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1C1CC1 ZINC001017703794 758292329 /nfs/dbraw/zinc/29/23/29/758292329.db2.gz DCJMXZPGVHCARD-GASCZTMLSA-N 1 2 295.386 1.881 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2CCC=C)nc1 ZINC001051213751 758295450 /nfs/dbraw/zinc/29/54/50/758295450.db2.gz DPDGLRRPIBVSNF-OAHLLOKOSA-N 1 2 299.374 1.070 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2CCC=C)nc1 ZINC001051213751 758295467 /nfs/dbraw/zinc/29/54/67/758295467.db2.gz DPDGLRRPIBVSNF-OAHLLOKOSA-N 1 2 299.374 1.070 20 30 CDEDLO C=CCC[NH+]1CC(N(C)C(=O)c2cncs2)C1 ZINC001042514500 758318060 /nfs/dbraw/zinc/31/80/60/758318060.db2.gz RMGHTEFMVKOYHC-UHFFFAOYSA-N 1 2 251.355 1.475 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccncn1 ZINC001024717968 758412263 /nfs/dbraw/zinc/41/22/63/758412263.db2.gz KKNSNSCNUAMDCE-GFCCVEGCSA-N 1 2 294.786 1.813 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccncn1 ZINC001024717968 758412273 /nfs/dbraw/zinc/41/22/73/758412273.db2.gz KKNSNSCNUAMDCE-GFCCVEGCSA-N 1 2 294.786 1.813 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(C2CCC2)n1 ZINC001038896788 758500536 /nfs/dbraw/zinc/50/05/36/758500536.db2.gz NJGDKWNHRJCKGF-CYBMUJFWSA-N 1 2 287.363 1.770 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(C2CCC2)n1 ZINC001038896788 758500564 /nfs/dbraw/zinc/50/05/64/758500564.db2.gz NJGDKWNHRJCKGF-CYBMUJFWSA-N 1 2 287.363 1.770 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCCO3)cc2C1 ZINC001054261355 758565550 /nfs/dbraw/zinc/56/55/50/758565550.db2.gz ZOPOKZVILXKYJA-KRWDZBQOSA-N 1 2 298.386 1.821 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCCO3)cc2C1 ZINC001054261355 758565572 /nfs/dbraw/zinc/56/55/72/758565572.db2.gz ZOPOKZVILXKYJA-KRWDZBQOSA-N 1 2 298.386 1.821 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C)n[nH]3)[C@@H]2C1 ZINC001075586101 758598697 /nfs/dbraw/zinc/59/86/97/758598697.db2.gz HDVVDUIHYBORSC-WCQYABFASA-N 1 2 294.786 1.617 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C)n[nH]3)[C@@H]2C1 ZINC001075586101 758598714 /nfs/dbraw/zinc/59/87/14/758598714.db2.gz HDVVDUIHYBORSC-WCQYABFASA-N 1 2 294.786 1.617 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C)[nH]n3)[C@@H]2C1 ZINC001075586101 758598725 /nfs/dbraw/zinc/59/87/25/758598725.db2.gz HDVVDUIHYBORSC-WCQYABFASA-N 1 2 294.786 1.617 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C)[nH]n3)[C@@H]2C1 ZINC001075586101 758598749 /nfs/dbraw/zinc/59/87/49/758598749.db2.gz HDVVDUIHYBORSC-WCQYABFASA-N 1 2 294.786 1.617 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(F)cc2cccnc21 ZINC001038770877 758658426 /nfs/dbraw/zinc/65/84/26/758658426.db2.gz WTBRJYRCLUHNGF-AWEZNQCLSA-N 1 2 297.333 1.811 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)cc2cccnc21 ZINC001038770877 758658429 /nfs/dbraw/zinc/65/84/29/758658429.db2.gz WTBRJYRCLUHNGF-AWEZNQCLSA-N 1 2 297.333 1.811 20 30 CDEDLO C#CCCCCCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779097398 758684944 /nfs/dbraw/zinc/68/49/44/758684944.db2.gz VAONGZURPJPFFD-ZDUSSCGKSA-N 1 2 259.353 1.898 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](OC)C1 ZINC001017690717 758782931 /nfs/dbraw/zinc/78/29/31/758782931.db2.gz QHADSYKYGUZWPZ-CAOSSQGBSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](OC)C1 ZINC001017690717 758782960 /nfs/dbraw/zinc/78/29/60/758782960.db2.gz QHADSYKYGUZWPZ-CAOSSQGBSA-N 1 2 290.407 1.500 20 30 CDEDLO CC(C)(O)CNN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000863140164 758796594 /nfs/dbraw/zinc/79/65/94/758796594.db2.gz DEKMHAAZGDAEFQ-UHFFFAOYSA-N 1 2 258.325 1.567 20 30 CDEDLO Cc1[nH+]cc(C=NNCc2ccccc2N(C)C)n1C ZINC000853342080 758803354 /nfs/dbraw/zinc/80/33/54/758803354.db2.gz CIFBXAZCXOMTEP-UHFFFAOYSA-N 1 2 271.368 1.918 20 30 CDEDLO C#CCC1(O)CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000882971003 758815995 /nfs/dbraw/zinc/81/59/95/758815995.db2.gz VRASWPLHBLJEMN-UHFFFAOYSA-N 1 2 286.379 1.431 20 30 CDEDLO C#CCC1(O)CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000882971003 758815997 /nfs/dbraw/zinc/81/59/97/758815997.db2.gz VRASWPLHBLJEMN-UHFFFAOYSA-N 1 2 286.379 1.431 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H](F)C1 ZINC001017547478 758821135 /nfs/dbraw/zinc/82/11/35/758821135.db2.gz DUNYZVQUWQNBCQ-ZQDZILKHSA-N 1 2 278.371 1.823 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H](F)C1 ZINC001017547478 758821136 /nfs/dbraw/zinc/82/11/36/758821136.db2.gz DUNYZVQUWQNBCQ-ZQDZILKHSA-N 1 2 278.371 1.823 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccco2)on1 ZINC001038570193 758836579 /nfs/dbraw/zinc/83/65/79/758836579.db2.gz XGWMNPAESSJOHY-GFCCVEGCSA-N 1 2 299.330 1.762 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccco2)on1 ZINC001038570193 758836580 /nfs/dbraw/zinc/83/65/80/758836580.db2.gz XGWMNPAESSJOHY-GFCCVEGCSA-N 1 2 299.330 1.762 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001033017010 758839329 /nfs/dbraw/zinc/83/93/29/758839329.db2.gz FFWPMRYCRCRDTE-LBPRGKRZSA-N 1 2 292.770 1.785 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001033017010 758839332 /nfs/dbraw/zinc/83/93/32/758839332.db2.gz FFWPMRYCRCRDTE-LBPRGKRZSA-N 1 2 292.770 1.785 20 30 CDEDLO CO[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1F ZINC001137115644 1165969439 /nfs/dbraw/zinc/96/94/39/1165969439.db2.gz ZCSCXOQEZKNNNJ-UONOGXRCSA-N 1 2 264.300 1.758 20 30 CDEDLO CO[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1F ZINC001137115644 1165969442 /nfs/dbraw/zinc/96/94/42/1165969442.db2.gz ZCSCXOQEZKNNNJ-UONOGXRCSA-N 1 2 264.300 1.758 20 30 CDEDLO CCC[N@@H+]1CCCC[C@@H]1C(=O)[C@H](C#N)c1ccncn1 ZINC001649174723 1166759759 /nfs/dbraw/zinc/75/97/59/1166759759.db2.gz OWPXZDHJLZYFAD-TZMCWYRMSA-N 1 2 272.352 1.917 20 30 CDEDLO CCC[N@H+]1CCCC[C@@H]1C(=O)[C@H](C#N)c1ccncn1 ZINC001649174723 1166759766 /nfs/dbraw/zinc/75/97/66/1166759766.db2.gz OWPXZDHJLZYFAD-TZMCWYRMSA-N 1 2 272.352 1.917 20 30 CDEDLO CN(C)C(=O)C1C[NH+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238194503 1167401912 /nfs/dbraw/zinc/40/19/12/1167401912.db2.gz OQCYGVARCGDCQE-UHFFFAOYSA-N 1 2 277.755 1.732 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncccn2)[C@H]1C ZINC001088934596 912325474 /nfs/dbraw/zinc/32/54/74/912325474.db2.gz LJKQKWNBMUITKH-MNOVXSKESA-N 1 2 280.759 1.422 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncccn2)[C@H]1C ZINC001088934596 912325488 /nfs/dbraw/zinc/32/54/88/912325488.db2.gz LJKQKWNBMUITKH-MNOVXSKESA-N 1 2 280.759 1.422 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+]C1CCC(CC#N)CC1 ZINC001173324909 912423462 /nfs/dbraw/zinc/42/34/62/912423462.db2.gz APJMARWVIFMNBT-MCIGGMRASA-N 1 2 270.398 1.910 20 30 CDEDLO COC(=O)CCCC[C@H](C)[NH2+][C@@H](CS)C(=O)OC ZINC001173437692 912532043 /nfs/dbraw/zinc/53/20/43/912532043.db2.gz OCKSQZLBBDELIG-UWVGGRQHSA-N 1 2 277.386 1.169 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCOC1)C2 ZINC001095229598 912662877 /nfs/dbraw/zinc/66/28/77/912662877.db2.gz PDLMRJVXNKBOQR-CRWXNKLISA-N 1 2 298.814 1.887 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCOC1)C2 ZINC001095229598 912662884 /nfs/dbraw/zinc/66/28/84/912662884.db2.gz PDLMRJVXNKBOQR-CRWXNKLISA-N 1 2 298.814 1.887 20 30 CDEDLO CCC[C@](C)(C#N)[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173749857 912787164 /nfs/dbraw/zinc/78/71/64/912787164.db2.gz XCILGZJAWDLLMX-FRRDWIJNSA-N 1 2 262.361 1.829 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@](O)(CF)[C@@H](F)C2)c(O)c1 ZINC001233383278 912792780 /nfs/dbraw/zinc/79/27/80/912792780.db2.gz CNJYXUIQUWRIFA-KBPBESRZSA-N 1 2 282.290 1.508 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@](O)(CF)[C@@H](F)C2)c(O)c1 ZINC001233383278 912792793 /nfs/dbraw/zinc/79/27/93/912792793.db2.gz CNJYXUIQUWRIFA-KBPBESRZSA-N 1 2 282.290 1.508 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCF)c1 ZINC001095283183 913003764 /nfs/dbraw/zinc/00/37/64/913003764.db2.gz KAGGVADUNJMYAT-MDZLAQPJSA-N 1 2 276.315 1.191 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCF)c1 ZINC001095283183 913003782 /nfs/dbraw/zinc/00/37/82/913003782.db2.gz KAGGVADUNJMYAT-MDZLAQPJSA-N 1 2 276.315 1.191 20 30 CDEDLO CC(C)(C#N)C(=O)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001143399367 896143613 /nfs/dbraw/zinc/14/36/13/896143613.db2.gz NOCUSAUAZPZERL-HNNXBMFYSA-N 1 2 283.375 1.978 20 30 CDEDLO CC(C)(C#N)C(=O)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001143399367 896143619 /nfs/dbraw/zinc/14/36/19/896143619.db2.gz NOCUSAUAZPZERL-HNNXBMFYSA-N 1 2 283.375 1.978 20 30 CDEDLO C#CCCCC(=O)N(C)[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001104538802 898365715 /nfs/dbraw/zinc/36/57/15/898365715.db2.gz XEFPGPIORYNEPU-LBPRGKRZSA-N 1 2 274.368 1.847 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCSC)C[C@@H]21 ZINC001176906649 914386285 /nfs/dbraw/zinc/38/62/85/914386285.db2.gz LCEOKLOIIDDVGG-UONOGXRCSA-N 1 2 296.436 1.065 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCSC)C[C@@H]21 ZINC001176906649 914386301 /nfs/dbraw/zinc/38/63/01/914386301.db2.gz LCEOKLOIIDDVGG-UONOGXRCSA-N 1 2 296.436 1.065 20 30 CDEDLO C#CCC1(C(=O)N2CC[C@H]3OCC[N@@H+](CC)[C@@H]3C2)CCC1 ZINC001177031704 914441654 /nfs/dbraw/zinc/44/16/54/914441654.db2.gz WUINIQUZLWXQRW-HUUCEWRRSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCC1(C(=O)N2CC[C@H]3OCC[N@H+](CC)[C@@H]3C2)CCC1 ZINC001177031704 914441665 /nfs/dbraw/zinc/44/16/65/914441665.db2.gz WUINIQUZLWXQRW-HUUCEWRRSA-N 1 2 290.407 1.502 20 30 CDEDLO Cc1nocc1C[N@@H+](C)CCN(C)C(=O)[C@H](C)C#N ZINC001268234015 901623979 /nfs/dbraw/zinc/62/39/79/901623979.db2.gz ZHVALIBHZYUTQO-SNVBAGLBSA-N 1 2 264.329 1.033 20 30 CDEDLO Cc1nocc1C[N@H+](C)CCN(C)C(=O)[C@H](C)C#N ZINC001268234015 901623999 /nfs/dbraw/zinc/62/39/99/901623999.db2.gz ZHVALIBHZYUTQO-SNVBAGLBSA-N 1 2 264.329 1.033 20 30 CDEDLO CO/N=C(\C(=O)Nc1ccn2cc[nH+]c2c1)c1ccco1 ZINC001177351045 914633552 /nfs/dbraw/zinc/63/35/52/914633552.db2.gz MPLDSEFEAXPDNY-LGMDPLHJSA-N 1 2 284.275 1.917 20 30 CDEDLO CC#CC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1nccn1CC ZINC001270716450 904982710 /nfs/dbraw/zinc/98/27/10/904982710.db2.gz HTLHCNWZMKKMAL-KBPBESRZSA-N 1 2 286.379 1.102 20 30 CDEDLO CC#CC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1nccn1CC ZINC001270716450 904982716 /nfs/dbraw/zinc/98/27/16/904982716.db2.gz HTLHCNWZMKKMAL-KBPBESRZSA-N 1 2 286.379 1.102 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc[nH]2)[C@H]1C ZINC001088466545 907361503 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C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CCOC2)[C@H]1C ZINC001088816595 909613158 /nfs/dbraw/zinc/61/31/58/909613158.db2.gz IXRXXAALORVIAG-MDZLAQPJSA-N 1 2 290.766 1.447 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccoc2C)[C@@H](O)C1 ZINC001090055228 921516410 /nfs/dbraw/zinc/51/64/10/921516410.db2.gz PZYJLIGVHZQMGM-STQMWFEESA-N 1 2 298.770 1.506 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccoc2C)[C@@H](O)C1 ZINC001090055228 921516419 /nfs/dbraw/zinc/51/64/19/921516419.db2.gz PZYJLIGVHZQMGM-STQMWFEESA-N 1 2 298.770 1.506 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnns1 ZINC001424914803 909749963 /nfs/dbraw/zinc/74/99/63/909749963.db2.gz SNPPKXVAIBSIAP-QMMMGPOBSA-N 1 2 274.777 1.341 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnns1 ZINC001424914803 909749971 /nfs/dbraw/zinc/74/99/71/909749971.db2.gz SNPPKXVAIBSIAP-QMMMGPOBSA-N 1 2 274.777 1.341 20 30 CDEDLO Cc1nc(NCCNC(=O)CCc2[nH]cc[nH+]2)ccc1C#N ZINC001093582581 909985776 /nfs/dbraw/zinc/98/57/76/909985776.db2.gz 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/nfs/dbraw/zinc/07/81/50/915078150.db2.gz IBUYIRYKXMMUOX-UHFFFAOYSA-N 1 2 273.296 1.168 20 30 CDEDLO C#Cc1ccc(CNC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC001177997994 915084216 /nfs/dbraw/zinc/08/42/16/915084216.db2.gz JMPMNQAMCOYIRT-UHFFFAOYSA-N 1 2 253.305 1.640 20 30 CDEDLO CCCCN(CC#N)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178104741 915170943 /nfs/dbraw/zinc/17/09/43/915170943.db2.gz CBQPPTPSRGFPJB-GFCCVEGCSA-N 1 2 260.341 1.598 20 30 CDEDLO N=C(c1ccccc1N)N(O)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178117930 915181177 /nfs/dbraw/zinc/18/11/77/915181177.db2.gz LJJQNAWIIXVHTJ-SNVBAGLBSA-N 1 2 299.334 1.271 20 30 CDEDLO CC#CC(=O)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001179750520 915966608 /nfs/dbraw/zinc/96/66/08/915966608.db2.gz NIFCJZMBSLWFHG-AWEZNQCLSA-N 1 2 287.363 1.291 20 30 CDEDLO COc1ccccc1Cn1c[nH+]cc1CNC(=O)[C@@H](C)C#N ZINC001179900809 916040914 /nfs/dbraw/zinc/04/09/14/916040914.db2.gz DGESNBJJTDKSCW-LBPRGKRZSA-N 1 2 298.346 1.716 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001097794126 936380330 /nfs/dbraw/zinc/38/03/30/936380330.db2.gz KAXUJJAZHLKRJM-HZMBPMFUSA-N 1 2 278.356 1.029 20 30 CDEDLO C[C@H](CNC(=O)CCc1[nH]cc[nH+]1)Nc1ncccc1C#N ZINC001097792699 936379469 /nfs/dbraw/zinc/37/94/69/936379469.db2.gz RXMFLRFCFPKYPN-LLVKDONJSA-N 1 2 298.350 1.226 20 30 CDEDLO N#Cc1c(F)ccc(NC(=O)Cc2cc[nH+]c(N)c2)c1F ZINC001181263202 916950210 /nfs/dbraw/zinc/95/02/10/916950210.db2.gz FOVVKXVKYDSHMF-UHFFFAOYSA-N 1 2 288.257 1.995 20 30 CDEDLO C=CCn1cc(C(=O)OCc2cc[nH+]c(N(C)C)c2)nn1 ZINC000830121028 936445977 /nfs/dbraw/zinc/44/59/77/936445977.db2.gz ZDYOQYSWPBGRLA-UHFFFAOYSA-N 1 2 287.323 1.282 20 30 CDEDLO CCc1cnc(C[NH2+][C@@H]2CCN(C(=O)C#CC(C)C)C2)o1 ZINC001182372771 917824480 /nfs/dbraw/zinc/82/44/80/917824480.db2.gz RDFOAUACNGWVJJ-CYBMUJFWSA-N 1 2 289.379 1.587 20 30 CDEDLO CCN(C(=O)Cc1c[nH]c2cccc(C#N)c12)C1C[NH+](C)C1 ZINC001182581089 917978430 /nfs/dbraw/zinc/97/84/30/917978430.db2.gz FEYJFAIRACMDFR-UHFFFAOYSA-N 1 2 296.374 1.745 20 30 CDEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)CCC)nn2)C1 ZINC001107149487 918216624 /nfs/dbraw/zinc/21/66/24/918216624.db2.gz GZYZPYDMRAUQJT-LBPRGKRZSA-N 1 2 291.399 1.373 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(F)cc2)C1 ZINC001107690624 918630099 /nfs/dbraw/zinc/63/00/99/918630099.db2.gz FLLUSRQARQPQPU-MRXNPFEDSA-N 1 2 292.354 1.832 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(F)cc2)C1 ZINC001107690624 918630110 /nfs/dbraw/zinc/63/01/10/918630110.db2.gz FLLUSRQARQPQPU-MRXNPFEDSA-N 1 2 292.354 1.832 20 30 CDEDLO CC(C)(S)CNC(=O)CCc1ccc(N)[nH+]c1 ZINC001183935151 918749399 /nfs/dbraw/zinc/74/93/99/918749399.db2.gz HVSIDAKITDLTBQ-UHFFFAOYSA-N 1 2 253.371 1.421 20 30 CDEDLO N#Cc1ccc(CNC(=O)CCc2ccc(N)[nH+]c2)cn1 ZINC001183939691 918757686 /nfs/dbraw/zinc/75/76/86/918757686.db2.gz QYXSMQNSKAHMFB-UHFFFAOYSA-N 1 2 281.319 1.179 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2=CCCC2)C1 ZINC001107868292 918936934 /nfs/dbraw/zinc/93/69/34/918936934.db2.gz RCKOUIIMMZIJBG-INIZCTEOSA-N 1 2 276.380 1.327 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2=CCCC2)C1 ZINC001107868292 918936942 /nfs/dbraw/zinc/93/69/42/918936942.db2.gz RCKOUIIMMZIJBG-INIZCTEOSA-N 1 2 276.380 1.327 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001050862893 936565953 /nfs/dbraw/zinc/56/59/53/936565953.db2.gz XSYIBECSFHNCFL-CAOSSQGBSA-N 1 2 292.423 1.816 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001050862893 936565954 /nfs/dbraw/zinc/56/59/54/936565954.db2.gz XSYIBECSFHNCFL-CAOSSQGBSA-N 1 2 292.423 1.816 20 30 CDEDLO Cn1cc(Nc2ccc[nH+]c2N2CCOCC2)c(C#N)n1 ZINC001212354446 919249589 /nfs/dbraw/zinc/24/95/89/919249589.db2.gz VPMGLEPDWNRVPY-UHFFFAOYSA-N 1 2 284.323 1.267 20 30 CDEDLO C#CCN1CC[NH+](Cc2cnc(N(CC)CC)s2)CC1 ZINC001138802211 936570316 /nfs/dbraw/zinc/57/03/16/936570316.db2.gz LUDWXJHGTOZNPN-UHFFFAOYSA-N 1 2 292.452 1.740 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001185968106 919832214 /nfs/dbraw/zinc/83/22/14/919832214.db2.gz FVZRUGMFORVCSL-LLVKDONJSA-N 1 2 294.424 1.831 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001128085597 919843691 /nfs/dbraw/zinc/84/36/91/919843691.db2.gz WRSNHDDWAAMHCZ-UHFFFAOYSA-N 1 2 278.356 1.352 20 30 CDEDLO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](CC(=O)OCC)CC2 ZINC001272889564 919976575 /nfs/dbraw/zinc/97/65/75/919976575.db2.gz OCWVKCMCKNKLOJ-ZDUSSCGKSA-N 1 2 294.395 1.344 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnccc2OCC)CC1 ZINC001139628601 936632534 /nfs/dbraw/zinc/63/25/34/936632534.db2.gz CUSYZACBBOXDEA-UHFFFAOYSA-N 1 2 259.353 1.231 20 30 CDEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nccs1)C2 ZINC001098093892 936638420 /nfs/dbraw/zinc/63/84/20/936638420.db2.gz HWXLXKDSRBLRDZ-UTUOFQBUSA-N 1 2 275.377 1.502 20 30 CDEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nccs1)C2 ZINC001098093892 936638421 /nfs/dbraw/zinc/63/84/21/936638421.db2.gz HWXLXKDSRBLRDZ-UTUOFQBUSA-N 1 2 275.377 1.502 20 30 CDEDLO N#Cc1cccc2c(C[N@H+]3CC(=O)N4CCC[C@@H]4C3)c[nH]c21 ZINC001139705801 936638611 /nfs/dbraw/zinc/63/86/11/936638611.db2.gz FECSZKZMMMKOTM-CQSZACIVSA-N 1 2 294.358 1.846 20 30 CDEDLO N#Cc1cccc2c(C[N@@H+]3CC(=O)N4CCC[C@@H]4C3)c[nH]c21 ZINC001139705801 936638612 /nfs/dbraw/zinc/63/86/12/936638612.db2.gz FECSZKZMMMKOTM-CQSZACIVSA-N 1 2 294.358 1.846 20 30 CDEDLO Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C)C#N)C3)on1 ZINC001110394463 920575849 /nfs/dbraw/zinc/57/58/49/920575849.db2.gz BTSKZSVBYKZFPC-IMJCEVDSSA-N 1 2 288.351 1.364 20 30 CDEDLO Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C)C#N)C3)on1 ZINC001110394463 920575870 /nfs/dbraw/zinc/57/58/70/920575870.db2.gz BTSKZSVBYKZFPC-IMJCEVDSSA-N 1 2 288.351 1.364 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cn(C)nn2)CC[C@@H]1C ZINC001071467549 936682669 /nfs/dbraw/zinc/68/26/69/936682669.db2.gz TUKCKAMFVRZZTI-QWRGUYRKSA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)nn2)CC[C@@H]1C ZINC001071467549 936682671 /nfs/dbraw/zinc/68/26/71/936682671.db2.gz TUKCKAMFVRZZTI-QWRGUYRKSA-N 1 2 297.790 1.150 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CC(F)F)C1 ZINC001108077894 921923067 /nfs/dbraw/zinc/92/30/67/921923067.db2.gz BRFXABNWXAFOQN-SMDDNHRTSA-N 1 2 290.354 1.671 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CC(F)F)C1 ZINC001108077894 921923074 /nfs/dbraw/zinc/92/30/74/921923074.db2.gz BRFXABNWXAFOQN-SMDDNHRTSA-N 1 2 290.354 1.671 20 30 CDEDLO C[C@]1(O)COCC[N@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140752812 936750461 /nfs/dbraw/zinc/75/04/61/936750461.db2.gz OSNQHPXAIYLMBQ-CQSZACIVSA-N 1 2 282.290 1.420 20 30 CDEDLO C[C@]1(O)COCC[N@@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140752812 936750463 /nfs/dbraw/zinc/75/04/63/936750463.db2.gz OSNQHPXAIYLMBQ-CQSZACIVSA-N 1 2 282.290 1.420 20 30 CDEDLO Cc1nc(NC[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)ccc1C#N ZINC001108136444 922719676 /nfs/dbraw/zinc/71/96/76/922719676.db2.gz ZHVUKHNCKJJKKJ-SNVBAGLBSA-N 1 2 298.350 1.144 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](F)C(C)C)C1 ZINC001108139958 922735306 /nfs/dbraw/zinc/73/53/06/922735306.db2.gz IZIJSKJWUHLQRF-TZMCWYRMSA-N 1 2 272.364 1.374 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](F)C(C)C)C1 ZINC001108139958 922735318 /nfs/dbraw/zinc/73/53/18/922735318.db2.gz IZIJSKJWUHLQRF-TZMCWYRMSA-N 1 2 272.364 1.374 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)/C(C)=C\C)[C@H](O)C1 ZINC001099771770 936807901 /nfs/dbraw/zinc/80/79/01/936807901.db2.gz IGZIAXLUMFMJQC-MKKITYOQSA-N 1 2 272.776 1.257 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)/C(C)=C\C)[C@H](O)C1 ZINC001099771770 936807903 /nfs/dbraw/zinc/80/79/03/936807903.db2.gz IGZIAXLUMFMJQC-MKKITYOQSA-N 1 2 272.776 1.257 20 30 CDEDLO N#Cc1c(N)sc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c1Cl ZINC001141108765 936813706 /nfs/dbraw/zinc/81/37/06/936813706.db2.gz GSIOHUOIBDVWQZ-SFYZADRCSA-N 1 2 289.763 1.760 20 30 CDEDLO N#Cc1c(N)sc(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)c1Cl ZINC001141108765 936813708 /nfs/dbraw/zinc/81/37/08/936813708.db2.gz GSIOHUOIBDVWQZ-SFYZADRCSA-N 1 2 289.763 1.760 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)no2)C1 ZINC001079411810 924292784 /nfs/dbraw/zinc/29/27/84/924292784.db2.gz MOSKUQOKJKIVLO-LDYMZIIASA-N 1 2 283.759 1.786 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)no2)C1 ZINC001079411810 924292793 /nfs/dbraw/zinc/29/27/93/924292793.db2.gz MOSKUQOKJKIVLO-LDYMZIIASA-N 1 2 283.759 1.786 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cocc2C)[C@H](OC)C1 ZINC001082031575 924851198 /nfs/dbraw/zinc/85/11/98/924851198.db2.gz BEKKXLGJJZWBIE-ZIAGYGMSSA-N 1 2 276.336 1.040 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cocc2C)[C@H](OC)C1 ZINC001082031575 924851201 /nfs/dbraw/zinc/85/12/01/924851201.db2.gz BEKKXLGJJZWBIE-ZIAGYGMSSA-N 1 2 276.336 1.040 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N1CCC[N@H+](CCF)CC1 ZINC001196665883 924957177 /nfs/dbraw/zinc/95/71/77/924957177.db2.gz JGZZFIBRVPFBLB-OAHLLOKOSA-N 1 2 286.391 1.719 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC001196665883 924957182 /nfs/dbraw/zinc/95/71/82/924957182.db2.gz JGZZFIBRVPFBLB-OAHLLOKOSA-N 1 2 286.391 1.719 20 30 CDEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3c(C)noc3C)[C@H]2C1 ZINC001082996040 925068047 /nfs/dbraw/zinc/06/80/47/925068047.db2.gz JOXADQXKZROZBI-QWHCGFSZSA-N 1 2 291.351 1.003 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3c(C)noc3C)[C@H]2C1 ZINC001082996040 925068057 /nfs/dbraw/zinc/06/80/57/925068057.db2.gz JOXADQXKZROZBI-QWHCGFSZSA-N 1 2 291.351 1.003 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)C(C)C)CC1 ZINC001197307853 925112034 /nfs/dbraw/zinc/11/20/34/925112034.db2.gz HYWBVLNYDPQCBH-AWEZNQCLSA-N 1 2 295.427 1.115 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)C(C)C)CC1 ZINC001197307853 925112038 /nfs/dbraw/zinc/11/20/38/925112038.db2.gz HYWBVLNYDPQCBH-AWEZNQCLSA-N 1 2 295.427 1.115 20 30 CDEDLO C#CC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000820346058 925521559 /nfs/dbraw/zinc/52/15/59/925521559.db2.gz ZCPUDSNRTMAZGT-CYBMUJFWSA-N 1 2 257.337 1.317 20 30 CDEDLO Cc1ccc(C#N)c(NCCN(C)C(=O)Cc2[nH]cc[nH+]2)n1 ZINC001101728805 937006028 /nfs/dbraw/zinc/00/60/28/937006028.db2.gz MNHFZCZANZZPFI-UHFFFAOYSA-N 1 2 298.350 1.098 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(CC=C)CCCCC2)C1 ZINC001198944848 925582855 /nfs/dbraw/zinc/58/28/55/925582855.db2.gz OZLWEPKFIUESDQ-HUUCEWRRSA-N 1 2 290.407 1.308 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(CC=C)CCCCC2)C1 ZINC001198944848 925582862 /nfs/dbraw/zinc/58/28/62/925582862.db2.gz OZLWEPKFIUESDQ-HUUCEWRRSA-N 1 2 290.407 1.308 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnc(SC)nc2Cl)CC1 ZINC001142432274 937013118 /nfs/dbraw/zinc/01/31/18/937013118.db2.gz XQMPFPNHCBRDAM-UHFFFAOYSA-N 1 2 296.827 1.603 20 30 CDEDLO Cc1ncc(C[N@H+]2CC[C@H]2CN(C)C(=O)[C@@H](C)C#N)o1 ZINC001231293541 925695828 /nfs/dbraw/zinc/69/58/28/925695828.db2.gz OFNRKKAUGZLIHG-JQWIXIFHSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1ncc(C[N@@H+]2CC[C@H]2CN(C)C(=O)[C@@H](C)C#N)o1 ZINC001231293541 925695834 /nfs/dbraw/zinc/69/58/34/925695834.db2.gz 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/nfs/dbraw/zinc/36/23/88/926362388.db2.gz BJJOFYZGFKMCMG-HNNXBMFYSA-N 1 2 274.339 1.784 20 30 CDEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2CCF)cc1 ZINC001085756158 926362398 /nfs/dbraw/zinc/36/23/98/926362398.db2.gz BJJOFYZGFKMCMG-HNNXBMFYSA-N 1 2 274.339 1.784 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc(C2CC2)n1 ZINC001085852134 926450949 /nfs/dbraw/zinc/45/09/49/926450949.db2.gz ORNPYQRVTLPBTO-CYBMUJFWSA-N 1 2 284.363 1.134 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccnc(C2CC2)n1 ZINC001085852134 926450953 /nfs/dbraw/zinc/45/09/53/926450953.db2.gz ORNPYQRVTLPBTO-CYBMUJFWSA-N 1 2 284.363 1.134 20 30 CDEDLO C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc2[nH]cnc21 ZINC001085889391 926478719 /nfs/dbraw/zinc/47/87/19/926478719.db2.gz YEBBELCXHOSFIX-ZDUSSCGKSA-N 1 2 296.374 1.733 20 30 CDEDLO C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc2[nH]cnc21 ZINC001085889391 926478723 /nfs/dbraw/zinc/47/87/23/926478723.db2.gz YEBBELCXHOSFIX-ZDUSSCGKSA-N 1 2 296.374 1.733 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2nccnc2c1 ZINC001085962487 926547196 /nfs/dbraw/zinc/54/71/96/926547196.db2.gz IAAXYLNKQUDWDG-CQSZACIVSA-N 1 2 294.358 1.409 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2nccnc2c1 ZINC001085962487 926547202 /nfs/dbraw/zinc/54/72/02/926547202.db2.gz IAAXYLNKQUDWDG-CQSZACIVSA-N 1 2 294.358 1.409 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C)nc1C(C)C ZINC001085967834 926552894 /nfs/dbraw/zinc/55/28/94/926552894.db2.gz WDZUAQSBADXXJI-CYBMUJFWSA-N 1 2 288.395 1.323 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C)nc1C(C)C ZINC001085967834 926552903 /nfs/dbraw/zinc/55/29/03/926552903.db2.gz WDZUAQSBADXXJI-CYBMUJFWSA-N 1 2 288.395 1.323 20 30 CDEDLO C=CCCC(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001155579796 926962195 /nfs/dbraw/zinc/96/21/95/926962195.db2.gz MJSLDWMAOQXGEB-UHFFFAOYSA-N 1 2 266.345 1.194 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001108269005 927027084 /nfs/dbraw/zinc/02/70/84/927027084.db2.gz CRBYEZXIUNKGJE-UXLLHSPISA-N 1 2 292.423 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001108269005 927027091 /nfs/dbraw/zinc/02/70/91/927027091.db2.gz CRBYEZXIUNKGJE-UXLLHSPISA-N 1 2 292.423 1.816 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cccn2CC)C1 ZINC001108402078 927473496 /nfs/dbraw/zinc/47/34/96/927473496.db2.gz XSLRTTBYRGWKHJ-MRXNPFEDSA-N 1 2 291.395 1.515 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cccn2CC)C1 ZINC001108402078 927473504 /nfs/dbraw/zinc/47/35/04/927473504.db2.gz XSLRTTBYRGWKHJ-MRXNPFEDSA-N 1 2 291.395 1.515 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1cccnc1Cl ZINC001156320583 928043682 /nfs/dbraw/zinc/04/36/82/928043682.db2.gz AFSIRNJHZDFAIH-QMMMGPOBSA-N 1 2 272.686 1.582 20 30 CDEDLO C=CCOC[C@@H](O)C[NH2+][C@@H](C(=O)OC)C1CCCCC1 ZINC001252451225 928347600 /nfs/dbraw/zinc/34/76/00/928347600.db2.gz OREDLWIQEMVKME-UONOGXRCSA-N 1 2 285.384 1.261 20 30 CDEDLO C=CCOCC(=O)N(C)CCCNc1cc[nH+]c(C)n1 ZINC001109391337 928913373 /nfs/dbraw/zinc/91/33/73/928913373.db2.gz AVRVNNCQWHROFR-UHFFFAOYSA-N 1 2 278.356 1.248 20 30 CDEDLO C#CCCCC(=O)N[C@@]1(C)CCN(c2cc[nH+]c(C)n2)C1 ZINC001110754874 928915145 /nfs/dbraw/zinc/91/51/45/928915145.db2.gz CLRNIDWRBRTBSQ-INIZCTEOSA-N 1 2 286.379 1.674 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](C)SC)CC1 ZINC001112627404 929269272 /nfs/dbraw/zinc/26/92/72/929269272.db2.gz HUXLFUSWHZPKKK-GFCCVEGCSA-N 1 2 272.414 1.085 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)OCC2CC2)CC1 ZINC001112671819 929309621 /nfs/dbraw/zinc/30/96/21/929309621.db2.gz SKPZJSBESADDCL-GFCCVEGCSA-N 1 2 252.358 1.132 20 30 CDEDLO Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCC#N)c[nH+]1 ZINC001134744328 929881099 /nfs/dbraw/zinc/88/10/99/929881099.db2.gz KMENFEOSYDJFKL-RYUDHWBXSA-N 1 2 291.399 1.323 20 30 CDEDLO C#CCOCC[N@@H+](C)[C@H](C)c1nc(C(C)C)no1 ZINC001116401018 937446520 /nfs/dbraw/zinc/44/65/20/937446520.db2.gz BBUYZNSXHWIOSZ-LLVKDONJSA-N 1 2 251.330 1.836 20 30 CDEDLO C#CCOCC[N@H+](C)[C@H](C)c1nc(C(C)C)no1 ZINC001116401018 937446522 /nfs/dbraw/zinc/44/65/22/937446522.db2.gz BBUYZNSXHWIOSZ-LLVKDONJSA-N 1 2 251.330 1.836 20 30 CDEDLO C=C[C@@H]1C[C@@]1(Nc1cc[nH+]c(CC)c1)C(=O)OCC ZINC001170926949 930804296 /nfs/dbraw/zinc/80/42/96/930804296.db2.gz GCOPPALHIPKBAL-ABAIWWIYSA-N 1 2 260.337 1.986 20 30 CDEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cncc(N)c2)cc1 ZINC001170984679 931146623 /nfs/dbraw/zinc/14/66/23/931146623.db2.gz FAEUOXZUQPIBTD-UHFFFAOYSA-N 1 2 270.292 1.487 20 30 CDEDLO C=CCN1C(=O)C[C@]2(CCCN(c3cccc[nH+]3)C2)C1=O ZINC001274739161 931563291 /nfs/dbraw/zinc/56/32/91/931563291.db2.gz AYRNBVLOIKHIFP-INIZCTEOSA-N 1 2 285.347 1.613 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc3c2C(=O)N(C)C3)CC1 ZINC001154323069 937530451 /nfs/dbraw/zinc/53/04/51/937530451.db2.gz HFGBFQCSUJTTSG-UHFFFAOYSA-N 1 2 299.374 1.216 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2n[nH]c3cc(F)ccc32)CC1 ZINC001154347232 937535296 /nfs/dbraw/zinc/53/52/96/937535296.db2.gz CVSDEQSLVBQLOA-UHFFFAOYSA-N 1 2 288.326 1.646 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2[nH]nc3cc(F)ccc32)CC1 ZINC001154347232 937535298 /nfs/dbraw/zinc/53/52/98/937535298.db2.gz CVSDEQSLVBQLOA-UHFFFAOYSA-N 1 2 288.326 1.646 20 30 CDEDLO CN1CC2(C1)CCC[N@H+](Cc1cc(C#N)ccc1O)C2 ZINC001275548621 931869355 /nfs/dbraw/zinc/86/93/55/931869355.db2.gz ZLVICIAYKOXCFX-UHFFFAOYSA-N 1 2 271.364 1.791 20 30 CDEDLO CN1CC2(C1)CCC[N@@H+](Cc1cc(C#N)ccc1O)C2 ZINC001275548621 931869360 /nfs/dbraw/zinc/86/93/60/931869360.db2.gz ZLVICIAYKOXCFX-UHFFFAOYSA-N 1 2 271.364 1.791 20 30 CDEDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cccc(C#N)c1F ZINC001275660426 931937462 /nfs/dbraw/zinc/93/74/62/931937462.db2.gz SSOPEPRMUYLNLI-PHIMTYICSA-N 1 2 259.284 1.226 20 30 CDEDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cccc(C#N)c1F ZINC001275660426 931937466 /nfs/dbraw/zinc/93/74/66/931937466.db2.gz SSOPEPRMUYLNLI-PHIMTYICSA-N 1 2 259.284 1.226 20 30 CDEDLO N#C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001154521462 937552807 /nfs/dbraw/zinc/55/28/07/937552807.db2.gz GBNCBISXGFQQJE-LLVKDONJSA-N 1 2 254.293 1.853 20 30 CDEDLO C=CC[C@H]([NH2+]C1CC(CC(=O)OC)C1)C(=O)OCC ZINC001118098783 937590920 /nfs/dbraw/zinc/59/09/20/937590920.db2.gz AJKAGZHCGIZWBY-MCIGGMRASA-N 1 2 269.341 1.426 20 30 CDEDLO C=CCCC(=O)N1CC2(C1)CC[N@H+](Cc1ncccn1)C2 ZINC001147165863 932431761 /nfs/dbraw/zinc/43/17/61/932431761.db2.gz LEQXLXZUNYZZRY-UHFFFAOYSA-N 1 2 286.379 1.477 20 30 CDEDLO C=CCCC(=O)N1CC2(C1)CC[N@@H+](Cc1ncccn1)C2 ZINC001147165863 932431764 /nfs/dbraw/zinc/43/17/64/932431764.db2.gz LEQXLXZUNYZZRY-UHFFFAOYSA-N 1 2 286.379 1.477 20 30 CDEDLO Cc1nc(N(C)CCCNC(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001095523762 932686252 /nfs/dbraw/zinc/68/62/52/932686252.db2.gz SITOPTSKQBBGKY-UHFFFAOYSA-N 1 2 298.350 1.241 20 30 CDEDLO C=C(C)CN(C)C(=O)C(=O)NCc1c[nH+]c(C)cc1C ZINC001118800043 937667830 /nfs/dbraw/zinc/66/78/30/937667830.db2.gz FTHLKBBLPZHJGF-UHFFFAOYSA-N 1 2 275.352 1.349 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc3cc[nH]c3n2)C1 ZINC001042996626 935831823 /nfs/dbraw/zinc/83/18/23/935831823.db2.gz 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Cn1cc(C[N@H+]2CCO[C@H](CO)C2)c2cc(C#N)ccc21 ZINC001237467347 944799001 /nfs/dbraw/zinc/79/90/01/944799001.db2.gz UJYIDZMIYSFNPM-AWEZNQCLSA-N 1 2 285.347 1.243 20 30 CDEDLO COc1ccccc1C[C@@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001258887505 945437301 /nfs/dbraw/zinc/43/73/01/945437301.db2.gz GDSWFTMLGDFKGN-TZMCWYRMSA-N 1 2 259.353 1.424 20 30 CDEDLO C=CCS(=O)(=O)NCc1c[nH+]c2ccc(F)cn12 ZINC001259937077 945726252 /nfs/dbraw/zinc/72/62/52/945726252.db2.gz BDRTXEHMQDKFCL-UHFFFAOYSA-N 1 2 269.301 1.079 20 30 CDEDLO CC[C@H](CC#N)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001255167579 947761620 /nfs/dbraw/zinc/76/16/20/947761620.db2.gz CTFPMFTYWFZOIJ-GFCCVEGCSA-N 1 2 285.351 1.970 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC001255166733 947762461 /nfs/dbraw/zinc/76/24/61/947762461.db2.gz PNLBOKNXZYNTRI-ZJUUUORDSA-N 1 2 250.264 1.925 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC001255166733 947762457 /nfs/dbraw/zinc/76/24/57/947762457.db2.gz PNLBOKNXZYNTRI-ZJUUUORDSA-N 1 2 250.264 1.925 20 30 CDEDLO C=CC[C@@H]([NH2+][C@@H]1CCC[C@@H](C(=O)OCC)C1)C(=O)OC ZINC001255347935 947833282 /nfs/dbraw/zinc/83/32/82/947833282.db2.gz HDZJLSFXRUJKQR-JHJVBQTASA-N 1 2 283.368 1.816 20 30 CDEDLO CC(C)(C)OC(=O)N1CCC[C@H](N2CC[NH2+]C[C@H]2C#N)C1 ZINC001255906673 948127675 /nfs/dbraw/zinc/12/76/75/948127675.db2.gz JRXFFGCWKMGDRZ-QWHCGFSZSA-N 1 2 294.399 1.183 20 30 CDEDLO CCOC(=O)N1CC[C@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001256033702 948169851 /nfs/dbraw/zinc/16/98/51/948169851.db2.gz SSCXTKQHZRIDAT-NWDGAFQWSA-N 1 2 296.392 1.491 20 30 CDEDLO CCOC(=O)N1CC[C@H]([N@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001256033702 948169859 /nfs/dbraw/zinc/16/98/59/948169859.db2.gz SSCXTKQHZRIDAT-NWDGAFQWSA-N 1 2 296.392 1.491 20 30 CDEDLO N#Cc1cc(F)cc(-c2noc([C@H](CO)n3cc[nH+]c3)n2)c1 ZINC001247260879 948609541 /nfs/dbraw/zinc/60/95/41/948609541.db2.gz HSAGUXRVYIUFSS-LBPRGKRZSA-N 1 2 299.265 1.526 20 30 CDEDLO CCOC(=O)CC[C@@H](C)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258492696 948891424 /nfs/dbraw/zinc/89/14/24/948891424.db2.gz TYHZKKQFEDSZOD-ZYHUDNBSSA-N 1 2 283.393 1.992 20 30 CDEDLO CCOC(=O)CC[C@@H](C)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001258492696 948891394 /nfs/dbraw/zinc/89/13/94/948891394.db2.gz TYHZKKQFEDSZOD-ZYHUDNBSSA-N 1 2 283.393 1.992 20 30 CDEDLO CCOC(=O)CC[C@@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258492696 948891406 /nfs/dbraw/zinc/89/14/06/948891406.db2.gz TYHZKKQFEDSZOD-ZYHUDNBSSA-N 1 2 283.393 1.992 20 30 CDEDLO CCOC(=O)CC[C@@H](C)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258492696 948891441 /nfs/dbraw/zinc/89/14/41/948891441.db2.gz TYHZKKQFEDSZOD-ZYHUDNBSSA-N 1 2 283.393 1.992 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1C1CCN(c2ccccc2)CC1 ZINC001258510240 948918308 /nfs/dbraw/zinc/91/83/08/948918308.db2.gz AYXJDDZXQDONPI-INIZCTEOSA-N 1 2 270.380 1.453 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c(F)ccc(C)c2OC)CC1 ZINC001250250974 950058866 /nfs/dbraw/zinc/05/88/66/950058866.db2.gz KCZSYGPGJFUJHL-UHFFFAOYSA-N 1 2 276.355 1.894 20 30 CDEDLO C=C[C@](C)(O)C[N@H+]1CC[C@H]1N(C)C(=O)OC(C)(C)C ZINC001252557046 951448980 /nfs/dbraw/zinc/44/89/80/951448980.db2.gz HDUAUCMSJOSTBU-FZMZJTMJSA-N 1 2 270.373 1.822 20 30 CDEDLO C=C[C@](C)(O)C[N@@H+]1CC[C@H]1N(C)C(=O)OC(C)(C)C ZINC001252557046 951448986 /nfs/dbraw/zinc/44/89/86/951448986.db2.gz HDUAUCMSJOSTBU-FZMZJTMJSA-N 1 2 270.373 1.822 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCN(C2CCCC2)C(=O)C1 ZINC001252599628 951492797 /nfs/dbraw/zinc/49/27/97/951492797.db2.gz CXYXTJXOCJXAAD-CQSZACIVSA-N 1 2 266.385 1.400 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCN(C2CCCC2)C(=O)C1 ZINC001252599628 951492800 /nfs/dbraw/zinc/49/28/00/951492800.db2.gz CXYXTJXOCJXAAD-CQSZACIVSA-N 1 2 266.385 1.400 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+](C)CC(=O)OCc1ccccc1 ZINC001252603678 951497615 /nfs/dbraw/zinc/49/76/15/951497615.db2.gz DQLZZCFKAVQPDP-OAHLLOKOSA-N 1 2 277.364 1.989 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+](C)CC(=O)OCc1ccccc1 ZINC001252603678 951497618 /nfs/dbraw/zinc/49/76/18/951497618.db2.gz DQLZZCFKAVQPDP-OAHLLOKOSA-N 1 2 277.364 1.989 20 30 CDEDLO C=C[C@H](O)CN1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001253587886 951980390 /nfs/dbraw/zinc/98/03/90/951980390.db2.gz PWHXZZDJUHBSOC-NWDGAFQWSA-N 1 2 260.328 1.339 20 30 CDEDLO N#CC[C@@H](C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC001363657778 953615490 /nfs/dbraw/zinc/61/54/90/953615490.db2.gz LJLSYIHNOPTZCF-LSDHHAIUSA-N 1 2 298.346 1.127 20 30 CDEDLO N#CC[C@@H](C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1)c1ccccc1 ZINC001363657778 953615496 /nfs/dbraw/zinc/61/54/96/953615496.db2.gz LJLSYIHNOPTZCF-LSDHHAIUSA-N 1 2 298.346 1.127 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1ccc(S(=O)(=O)CC)cc1 ZINC001328001032 955155468 /nfs/dbraw/zinc/15/54/68/955155468.db2.gz MAGJSPBFNZTPGY-UHFFFAOYSA-N 1 2 295.404 1.562 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1ccc(S(=O)(=O)CC)cc1 ZINC001328001032 955155469 /nfs/dbraw/zinc/15/54/69/955155469.db2.gz MAGJSPBFNZTPGY-UHFFFAOYSA-N 1 2 295.404 1.562 20 30 CDEDLO CCO[C@@H](C)C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001492197161 955697114 /nfs/dbraw/zinc/69/71/14/955697114.db2.gz PNKLXWCFXNDFLX-ZDUSSCGKSA-N 1 2 289.379 1.531 20 30 CDEDLO CCO[C@@H](C)C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001492197161 955697123 /nfs/dbraw/zinc/69/71/23/955697123.db2.gz PNKLXWCFXNDFLX-ZDUSSCGKSA-N 1 2 289.379 1.531 20 30 CDEDLO COc1ccc(NC(=O)NC(=O)C[NH2+][C@@H](C)CC#N)cc1 ZINC001365309555 955872700 /nfs/dbraw/zinc/87/27/00/955872700.db2.gz BJLPTTRQYAWYQA-JTQLQIEISA-N 1 2 290.323 1.235 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1[nH]c(=O)[nH]c1C ZINC001422514059 956111557 /nfs/dbraw/zinc/11/15/57/956111557.db2.gz GKXRVPAFIKSOQO-QMMMGPOBSA-N 1 2 286.763 1.226 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1[nH]c(=O)[nH]c1C ZINC001422514059 956111559 /nfs/dbraw/zinc/11/15/59/956111559.db2.gz GKXRVPAFIKSOQO-QMMMGPOBSA-N 1 2 286.763 1.226 20 30 CDEDLO CCn1nncc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC001365590121 956184674 /nfs/dbraw/zinc/18/46/74/956184674.db2.gz FLWNKKGWLUGOKG-UHFFFAOYSA-N 1 2 296.378 1.750 20 30 CDEDLO N#CCCOCC[N@@H+]1CCCC[C@@H]1c1ncccn1 ZINC001308047856 956462638 /nfs/dbraw/zinc/46/26/38/956462638.db2.gz PXFJUUYTHKXGDL-CYBMUJFWSA-N 1 2 260.341 1.934 20 30 CDEDLO N#CCCOCC[N@H+]1CCCC[C@@H]1c1ncccn1 ZINC001308047856 956462642 /nfs/dbraw/zinc/46/26/42/956462642.db2.gz PXFJUUYTHKXGDL-CYBMUJFWSA-N 1 2 260.341 1.934 20 30 CDEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](c2ncccn2)C1 ZINC001308115822 956473009 /nfs/dbraw/zinc/47/30/09/956473009.db2.gz YROSIABPJCHWQX-RYUDHWBXSA-N 1 2 261.325 1.384 20 30 CDEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@H](c2ncccn2)C1 ZINC001308115822 956473019 /nfs/dbraw/zinc/47/30/19/956473019.db2.gz YROSIABPJCHWQX-RYUDHWBXSA-N 1 2 261.325 1.384 20 30 CDEDLO C=CC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1)C(=O)OCC ZINC001330639135 956533828 /nfs/dbraw/zinc/53/38/28/956533828.db2.gz PBCMTWYBRKCFOZ-AVGNSLFASA-N 1 2 282.384 1.531 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1CC1(F)F)C1CC1 ZINC001366742135 957156212 /nfs/dbraw/zinc/15/62/12/957156212.db2.gz VKHRVULNGWJFOV-JTQLQIEISA-N 1 2 278.730 1.975 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1CC1(F)F)C1CC1 ZINC001366742135 957156224 /nfs/dbraw/zinc/15/62/24/957156224.db2.gz VKHRVULNGWJFOV-JTQLQIEISA-N 1 2 278.730 1.975 20 30 CDEDLO C=CC[C@@H]1NC(=O)N(Cc2ccccc2-n2cc[nH+]c2)C1=O ZINC001332375761 957539346 /nfs/dbraw/zinc/53/93/46/957539346.db2.gz RNMXGGNXYCIELS-ZDUSSCGKSA-N 1 2 296.330 1.869 20 30 CDEDLO C=CCn1nnnc1N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC001332488171 957587236 /nfs/dbraw/zinc/58/72/36/957587236.db2.gz FJKFHCSUNSVTPS-NEPJUHHUSA-N 1 2 273.344 1.143 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001320584420 959258375 /nfs/dbraw/zinc/25/83/75/959258375.db2.gz NVIZZWDDGWVYEO-HUUCEWRRSA-N 1 2 286.379 1.854 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001320584420 959258386 /nfs/dbraw/zinc/25/83/86/959258386.db2.gz NVIZZWDDGWVYEO-HUUCEWRRSA-N 1 2 286.379 1.854 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)COC)C1 ZINC001419110023 961388594 /nfs/dbraw/zinc/38/85/94/961388594.db2.gz GNEIJXFUISKYSZ-LBPRGKRZSA-N 1 2 288.819 1.944 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)COC)C1 ZINC001419110023 961388612 /nfs/dbraw/zinc/38/86/12/961388612.db2.gz GNEIJXFUISKYSZ-LBPRGKRZSA-N 1 2 288.819 1.944 20 30 CDEDLO N#Cc1ccc(F)c(NC(=O)NCCn2cc[nH+]c2)c1 ZINC001434731120 961828085 /nfs/dbraw/zinc/82/80/85/961828085.db2.gz HVRMXYCGNKPTEQ-UHFFFAOYSA-N 1 2 273.271 1.716 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](C)C(F)(F)F ZINC001437502816 962964520 /nfs/dbraw/zinc/96/45/20/962964520.db2.gz YPJWGZVNRBJEOK-MRVPVSSYSA-N 1 2 272.698 1.985 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](C)C(F)(F)F ZINC001437502816 962964530 /nfs/dbraw/zinc/96/45/30/962964530.db2.gz YPJWGZVNRBJEOK-MRVPVSSYSA-N 1 2 272.698 1.985 20 30 CDEDLO C#CCN(C)c1nnc([C@@H]2CCC[N@@H+]2C)n1CC(C)C ZINC001343675883 964091327 /nfs/dbraw/zinc/09/13/27/964091327.db2.gz CVBZBDSIMFXEGN-ZDUSSCGKSA-N 1 2 275.400 1.770 20 30 CDEDLO C#CCN(C)c1nnc([C@@H]2CCC[N@H+]2C)n1CC(C)C ZINC001343675883 964091336 /nfs/dbraw/zinc/09/13/36/964091336.db2.gz CVBZBDSIMFXEGN-ZDUSSCGKSA-N 1 2 275.400 1.770 20 30 CDEDLO CCCCCCCNC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001345977571 964878834 /nfs/dbraw/zinc/87/88/34/964878834.db2.gz DQZPQMFZZOJTFE-HNNXBMFYSA-N 1 2 298.475 1.892 20 30 CDEDLO C=C[C@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1ccccc1 ZINC001347022354 965336250 /nfs/dbraw/zinc/33/62/50/965336250.db2.gz YBOHRDMNPNKWTA-HIFRSBDPSA-N 1 2 267.332 1.894 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)OCCCc1c[nH+]cn1C ZINC001348626444 966100896 /nfs/dbraw/zinc/10/08/96/966100896.db2.gz LOIZTYCQZDAGQX-UHFFFAOYSA-N 1 2 273.292 1.983 20 30 CDEDLO CCOCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001446015969 966417453 /nfs/dbraw/zinc/41/74/53/966417453.db2.gz QPHJRMZCPAHVQT-LLVKDONJSA-N 1 2 293.392 1.347 20 30 CDEDLO CCOCC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001446015969 966417457 /nfs/dbraw/zinc/41/74/57/966417457.db2.gz QPHJRMZCPAHVQT-LLVKDONJSA-N 1 2 293.392 1.347 20 30 CDEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)Cc1[nH]cc[nH+]1 ZINC001446646611 966606171 /nfs/dbraw/zinc/60/61/71/966606171.db2.gz QMZCXNQHBIIIJJ-JTQLQIEISA-N 1 2 270.292 1.882 20 30 CDEDLO COC(=O)c1cc(C[NH2+]CC2(C#N)CC2)cs1 ZINC001350319800 966632187 /nfs/dbraw/zinc/63/21/87/966632187.db2.gz NURMWTUXMCDPTQ-UHFFFAOYSA-N 1 2 250.323 1.928 20 30 CDEDLO C=CCNC(=S)NCc1c[nH+]cn1C1CCC1 ZINC001200301948 967889628 /nfs/dbraw/zinc/88/96/28/967889628.db2.gz BVDQFTNFWIZRHW-UHFFFAOYSA-N 1 2 250.371 1.758 20 30 CDEDLO C=C(CC(C)C)C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001546049541 968289165 /nfs/dbraw/zinc/28/91/65/968289165.db2.gz BAFWTAPISSQWHY-CQSZACIVSA-N 1 2 294.395 1.485 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001527678862 968719414 /nfs/dbraw/zinc/71/94/14/968719414.db2.gz BCZVLHRWPFIIRG-CQSZACIVSA-N 1 2 296.459 1.524 20 30 CDEDLO Cc1ccc(C#N)cc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001355207347 969089280 /nfs/dbraw/zinc/08/92/80/969089280.db2.gz ZNQVSNANCKAFLA-GFCCVEGCSA-N 1 2 268.320 1.882 20 30 CDEDLO N#CCC[N@H+](Cc1ccco1)C[C@@H]1CCNC(=O)CC1 ZINC001413965719 969107559 /nfs/dbraw/zinc/10/75/59/969107559.db2.gz QWUGVYYWYRUQKO-ZDUSSCGKSA-N 1 2 275.352 1.912 20 30 CDEDLO N#CCC[N@@H+](Cc1ccco1)C[C@@H]1CCNC(=O)CC1 ZINC001413965719 969107565 /nfs/dbraw/zinc/10/75/65/969107565.db2.gz QWUGVYYWYRUQKO-ZDUSSCGKSA-N 1 2 275.352 1.912 20 30 CDEDLO Cn1c(C#N)ccc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001460693133 969531126 /nfs/dbraw/zinc/53/11/26/969531126.db2.gz WTJUZFIGAZPIQK-UHFFFAOYSA-N 1 2 265.276 1.797 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ocnc1CC ZINC001496782263 973094364 /nfs/dbraw/zinc/09/43/64/973094364.db2.gz OFRVAYLVENVSIJ-UHFFFAOYSA-N 1 2 285.775 1.993 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ocnc1CC ZINC001496782263 973094376 /nfs/dbraw/zinc/09/43/76/973094376.db2.gz OFRVAYLVENVSIJ-UHFFFAOYSA-N 1 2 285.775 1.993 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cccnc1OC ZINC001418492206 973894888 /nfs/dbraw/zinc/89/48/88/973894888.db2.gz BDBODUOUBUBVTI-UHFFFAOYSA-N 1 2 283.759 1.504 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cccnc1OC ZINC001418492206 973894897 /nfs/dbraw/zinc/89/48/97/973894897.db2.gz BDBODUOUBUBVTI-UHFFFAOYSA-N 1 2 283.759 1.504 20 30 CDEDLO C=C(Cl)CN1CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001375371081 974353904 /nfs/dbraw/zinc/35/39/04/974353904.db2.gz ZYHWKWMTRWIPKS-LLVKDONJSA-N 1 2 282.775 1.204 20 30 CDEDLO CCOCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001378048174 975220832 /nfs/dbraw/zinc/22/08/32/975220832.db2.gz ZIFPSPLXZQHYCS-HNNXBMFYSA-N 1 2 287.363 1.285 20 30 CDEDLO CCOCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001378048174 975220834 /nfs/dbraw/zinc/22/08/34/975220834.db2.gz ZIFPSPLXZQHYCS-HNNXBMFYSA-N 1 2 287.363 1.285 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C[C@H]1CCOC1 ZINC001401746535 975873051 /nfs/dbraw/zinc/87/30/51/975873051.db2.gz PSFLURZZIOBHSJ-VXGBXAGGSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C[C@H]1CCOC1 ZINC001401746535 975873056 /nfs/dbraw/zinc/87/30/56/975873056.db2.gz PSFLURZZIOBHSJ-VXGBXAGGSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cc[nH]c(=O)c1 ZINC001379653255 975992167 /nfs/dbraw/zinc/99/21/67/975992167.db2.gz OSJUVFNVCOWOLS-JTQLQIEISA-N 1 2 283.759 1.590 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc[nH]c(=O)c1 ZINC001379653255 975992173 /nfs/dbraw/zinc/99/21/73/975992173.db2.gz OSJUVFNVCOWOLS-JTQLQIEISA-N 1 2 283.759 1.590 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)CC[N@H+](C)Cc1cc(C2CC2)no1 ZINC001406081521 976011354 /nfs/dbraw/zinc/01/13/54/976011354.db2.gz SBNMCPYXSWJYGB-LLVKDONJSA-N 1 2 290.367 1.602 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)CC[N@@H+](C)Cc1cc(C2CC2)no1 ZINC001406081521 976011368 /nfs/dbraw/zinc/01/13/68/976011368.db2.gz SBNMCPYXSWJYGB-LLVKDONJSA-N 1 2 290.367 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cccc2c[nH]nc21 ZINC001403646124 977124081 /nfs/dbraw/zinc/12/40/81/977124081.db2.gz UPALZERLPVBZFA-UHFFFAOYSA-N 1 2 292.770 1.977 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cccc2c[nH]nc21 ZINC001403646124 977124087 /nfs/dbraw/zinc/12/40/87/977124087.db2.gz UPALZERLPVBZFA-UHFFFAOYSA-N 1 2 292.770 1.977 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CCc1cn[nH]c1 ZINC001403929570 977270645 /nfs/dbraw/zinc/27/06/45/977270645.db2.gz LXYXTMYNMARHHK-UHFFFAOYSA-N 1 2 284.791 1.533 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CCc1cn[nH]c1 ZINC001403929570 977270653 /nfs/dbraw/zinc/27/06/53/977270653.db2.gz LXYXTMYNMARHHK-UHFFFAOYSA-N 1 2 284.791 1.533 20 30 CDEDLO N#Cc1ccc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)c(F)c1 ZINC001650471197 1171100421 /nfs/dbraw/zinc/10/04/21/1171100421.db2.gz VMEGLJXTBVKVIT-NSHDSACASA-N 1 2 280.274 1.898 20 30 CDEDLO N#Cc1ccc(C(=O)O[C@H]2CC[N@H+](CCF)C2)c(F)c1 ZINC001650471197 1171100437 /nfs/dbraw/zinc/10/04/37/1171100437.db2.gz VMEGLJXTBVKVIT-NSHDSACASA-N 1 2 280.274 1.898 20 30 CDEDLO C[N@@H+]1CCc2nc(NC(=O)c3cccc(C#N)n3)sc2C1 ZINC000589256099 342502631 /nfs/dbraw/zinc/50/26/31/342502631.db2.gz IXZBJNCGJDCGHR-UHFFFAOYSA-N 1 2 299.359 1.650 20 30 CDEDLO C[N@H+]1CCc2nc(NC(=O)c3cccc(C#N)n3)sc2C1 ZINC000589256099 342502632 /nfs/dbraw/zinc/50/26/32/342502632.db2.gz IXZBJNCGJDCGHR-UHFFFAOYSA-N 1 2 299.359 1.650 20 30 CDEDLO Cc1nsc(N2CC[NH+]([C@@H]3CCCOC3)CC2)c1C#N ZINC000589286245 342502699 /nfs/dbraw/zinc/50/26/99/342502699.db2.gz MTIVKSSFUXMEAN-GFCCVEGCSA-N 1 2 292.408 1.624 20 30 CDEDLO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1nnnn1C1CC1)CC2 ZINC000589341766 342504118 /nfs/dbraw/zinc/50/41/18/342504118.db2.gz YNRJAHGCSPZTHC-CQSZACIVSA-N 1 2 280.335 1.657 20 30 CDEDLO N#Cc1ccc(C(=O)NCCNc2cccc[nH+]2)cc1 ZINC000073832158 342031311 /nfs/dbraw/zinc/03/13/11/342031311.db2.gz LRLAJBXKXGRLRW-UHFFFAOYSA-N 1 2 266.304 1.795 20 30 CDEDLO C=CCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000045857625 342046955 /nfs/dbraw/zinc/04/69/55/342046955.db2.gz UCSYGAQFMUZBGO-OAHLLOKOSA-N 1 2 289.379 1.545 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H]1CCO[C@H](CC)C1)C(=O)OC ZINC000590652734 342580764 /nfs/dbraw/zinc/58/07/64/342580764.db2.gz OGJUEEBZNDPRLQ-XQQFMLRXSA-N 1 2 271.357 1.278 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618812718 349534970 /nfs/dbraw/zinc/53/49/70/349534970.db2.gz HATXNJYQPVDRMU-CQSZACIVSA-N 1 2 295.346 1.778 20 30 CDEDLO COCCN(CCC#N)C(=O)CCCn1cc[nH+]c1 ZINC000609213740 342096941 /nfs/dbraw/zinc/09/69/41/342096941.db2.gz GHQFACGSQVBULC-UHFFFAOYSA-N 1 2 264.329 1.052 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@@H](CC)CO1 ZINC000593057603 342760465 /nfs/dbraw/zinc/76/04/65/342760465.db2.gz GJXNRVTUSOGHIF-QLFBSQMISA-N 1 2 295.427 1.884 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@@H](CC)CO1 ZINC000593057603 342760466 /nfs/dbraw/zinc/76/04/66/342760466.db2.gz GJXNRVTUSOGHIF-QLFBSQMISA-N 1 2 295.427 1.884 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)[C@H](C)CO1 ZINC000593063325 342761246 /nfs/dbraw/zinc/76/12/46/342761246.db2.gz LPSNDLAPDYLDIA-KYOSRNDESA-N 1 2 279.384 1.294 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)[C@H](C)CO1 ZINC000593063325 342761248 /nfs/dbraw/zinc/76/12/48/342761248.db2.gz LPSNDLAPDYLDIA-KYOSRNDESA-N 1 2 279.384 1.294 20 30 CDEDLO CC(C)c1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc(=O)[nH]1 ZINC000593154992 342774487 /nfs/dbraw/zinc/77/44/87/342774487.db2.gz WTQTUSQBAODEMF-OAHLLOKOSA-N 1 2 290.367 1.484 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1C ZINC000329719514 361933640 /nfs/dbraw/zinc/93/36/40/361933640.db2.gz MMZCUIXUNVMIJX-GMTAPVOTSA-N 1 2 262.357 1.769 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1C ZINC000329719514 361933644 /nfs/dbraw/zinc/93/36/44/361933644.db2.gz MMZCUIXUNVMIJX-GMTAPVOTSA-N 1 2 262.357 1.769 20 30 CDEDLO N#C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000332772587 539048812 /nfs/dbraw/zinc/04/88/12/539048812.db2.gz HTZCSHRDQGYVNK-GMXVVIOVSA-N 1 2 258.325 1.254 20 30 CDEDLO CNc1cc2c(nn1)CC[N@H+](Cc1ccc(C)c(C#N)c1)C2 ZINC000599286499 344007939 /nfs/dbraw/zinc/00/79/39/344007939.db2.gz FAYFFTLZRDWDTC-UHFFFAOYSA-N 1 2 293.374 1.679 20 30 CDEDLO CNc1cc2c(nn1)CC[N@@H+](Cc1ccc(C)c(C#N)c1)C2 ZINC000599286499 344007941 /nfs/dbraw/zinc/00/79/41/344007941.db2.gz FAYFFTLZRDWDTC-UHFFFAOYSA-N 1 2 293.374 1.679 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@](C)(C#N)C1 ZINC000594339131 342890763 /nfs/dbraw/zinc/89/07/63/342890763.db2.gz MGMXDJQWRUYYKL-RISCZKNCSA-N 1 2 260.341 1.741 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@](C)(C#N)C1 ZINC000594339131 342890764 /nfs/dbraw/zinc/89/07/64/342890764.db2.gz MGMXDJQWRUYYKL-RISCZKNCSA-N 1 2 260.341 1.741 20 30 CDEDLO CC1(C)CCC[N@H+](C[C@@H]2CCNC(=O)CC2)[C@H]1C#N ZINC000336274747 539063832 /nfs/dbraw/zinc/06/38/32/539063832.db2.gz IGKXILGAYVWUQS-STQMWFEESA-N 1 2 263.385 1.917 20 30 CDEDLO CC1(C)CCC[N@@H+](C[C@@H]2CCNC(=O)CC2)[C@H]1C#N ZINC000336274747 539063833 /nfs/dbraw/zinc/06/38/33/539063833.db2.gz IGKXILGAYVWUQS-STQMWFEESA-N 1 2 263.385 1.917 20 30 CDEDLO C=CCOc1cccnc1C(=O)NCc1c[nH+]cn1C ZINC000356763608 539106158 /nfs/dbraw/zinc/10/61/58/539106158.db2.gz LFQTVZZHBMBGKP-UHFFFAOYSA-N 1 2 272.308 1.310 20 30 CDEDLO C=CCC1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCOCC1 ZINC000618248420 342264294 /nfs/dbraw/zinc/26/42/94/342264294.db2.gz GYTYJAYCOVCRGZ-ZDUSSCGKSA-N 1 2 289.379 1.687 20 30 CDEDLO COC(=O)[C@H]([NH2+]CCc1ccc(C#N)cc1)C1CC1 ZINC000594712907 342946288 /nfs/dbraw/zinc/94/62/88/342946288.db2.gz WRZRNBAKGNDFCZ-CQSZACIVSA-N 1 2 258.321 1.642 20 30 CDEDLO CCOC[C@H](C(=O)OC)[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595396914 343047675 /nfs/dbraw/zinc/04/76/75/343047675.db2.gz ZPEHMRUCAPLNAR-OAHLLOKOSA-N 1 2 290.363 1.611 20 30 CDEDLO CCOC[C@H](C(=O)OC)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595396914 343047677 /nfs/dbraw/zinc/04/76/77/343047677.db2.gz ZPEHMRUCAPLNAR-OAHLLOKOSA-N 1 2 290.363 1.611 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N(CC(F)(F)F)C(C)C ZINC000076185954 342320138 /nfs/dbraw/zinc/32/01/38/342320138.db2.gz OQLAVFKYGSDQAV-UHFFFAOYSA-N 1 2 274.286 1.354 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C2CC2)C2(C(=O)OC)CCC2)C1=O ZINC000595540876 343092955 /nfs/dbraw/zinc/09/29/55/343092955.db2.gz ABPSUDOSBSGKKG-CYBMUJFWSA-N 1 2 292.379 1.333 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C2CC2)C2(C(=O)OC)CCC2)C1=O ZINC000595540876 343092956 /nfs/dbraw/zinc/09/29/56/343092956.db2.gz ABPSUDOSBSGKKG-CYBMUJFWSA-N 1 2 292.379 1.333 20 30 CDEDLO Cc1nsc(N2CCC[C@@H]([NH+]3CCOCC3)C2)c1C#N ZINC000596246019 343286253 /nfs/dbraw/zinc/28/62/53/343286253.db2.gz AXAQJMZGZGRLPX-GFCCVEGCSA-N 1 2 292.408 1.624 20 30 CDEDLO CC(C)(C)n1ncc2c1nc(N[C@@H]1CC[C@H](C#N)C1)[nH+]c2N ZINC000596280099 343286583 /nfs/dbraw/zinc/28/65/83/343286583.db2.gz APNXHDJQNMTUJE-VHSXEESVSA-N 1 2 299.382 1.690 20 30 CDEDLO C[C@H](O)[C@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000089927505 342394537 /nfs/dbraw/zinc/39/45/37/342394537.db2.gz ZFKBPWKTGYNUCU-JQWIXIFHSA-N 1 2 293.392 1.651 20 30 CDEDLO C[C@H](O)[C@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000089927505 342394538 /nfs/dbraw/zinc/39/45/38/342394538.db2.gz ZFKBPWKTGYNUCU-JQWIXIFHSA-N 1 2 293.392 1.651 20 30 CDEDLO N#Cc1ccc(NCc2ccc[nH+]c2N2CCCC2)nc1 ZINC000596358582 343310174 /nfs/dbraw/zinc/31/01/74/343310174.db2.gz XTQOQCOJSBPZNT-UHFFFAOYSA-N 1 2 279.347 1.982 20 30 CDEDLO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n(CCC#N)n1 ZINC000596896346 343411015 /nfs/dbraw/zinc/41/10/15/343411015.db2.gz ZKCYREXNRKZKOA-VXGBXAGGSA-N 1 2 298.350 1.581 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3cnccn3)CC2)s1 ZINC000157934737 136396409 /nfs/dbraw/zinc/39/64/09/136396409.db2.gz FAFFEBDNKTWDHM-UHFFFAOYSA-N 1 2 285.376 1.732 20 30 CDEDLO CC#CC[NH+]1CCN(c2ccc(C(=O)OCC)cn2)CC1 ZINC000157608222 136388487 /nfs/dbraw/zinc/38/84/87/136388487.db2.gz VFKVXZHTCJKQQE-UHFFFAOYSA-N 1 2 287.363 1.404 20 30 CDEDLO C=CCCSCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000597968824 343687252 /nfs/dbraw/zinc/68/72/52/343687252.db2.gz MMGSJTPCADFPHG-LBPRGKRZSA-N 1 2 279.409 1.871 20 30 CDEDLO C[C@@H](C#N)N(C(=O)c1ccc(-n2cc[nH+]c2)nn1)C1CC1 ZINC000598128821 343718377 /nfs/dbraw/zinc/71/83/77/343718377.db2.gz CLEAXVAMUACHMA-JTQLQIEISA-N 1 2 282.307 1.179 20 30 CDEDLO N#CC1(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)CCC1 ZINC000598342895 343771047 /nfs/dbraw/zinc/77/10/47/343771047.db2.gz OLXAIYHVMSVCTD-UHFFFAOYSA-N 1 2 291.395 1.251 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000598343055 343771651 /nfs/dbraw/zinc/77/16/51/343771651.db2.gz PXWXCNRHKFUJPO-INIZCTEOSA-N 1 2 293.411 1.497 20 30 CDEDLO C[C@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)c1[nH+]ccn1C ZINC000598465030 343806377 /nfs/dbraw/zinc/80/63/77/343806377.db2.gz NSJVAIKQQAKRCH-NSHDSACASA-N 1 2 297.362 1.849 20 30 CDEDLO C[N@@H+](Cc1cscn1)C[C@@H](O)CC(C)(C)C#N ZINC000598587582 343835665 /nfs/dbraw/zinc/83/56/65/343835665.db2.gz RVBUNUFBRDJLNX-NSHDSACASA-N 1 2 253.371 1.876 20 30 CDEDLO C[N@H+](Cc1cscn1)C[C@@H](O)CC(C)(C)C#N ZINC000598587582 343835668 /nfs/dbraw/zinc/83/56/68/343835668.db2.gz RVBUNUFBRDJLNX-NSHDSACASA-N 1 2 253.371 1.876 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000598589617 343836808 /nfs/dbraw/zinc/83/68/08/343836808.db2.gz UEYBPIQSJGGVJC-RYUDHWBXSA-N 1 2 295.408 1.817 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000598589617 343836810 /nfs/dbraw/zinc/83/68/10/343836810.db2.gz UEYBPIQSJGGVJC-RYUDHWBXSA-N 1 2 295.408 1.817 20 30 CDEDLO Cc1nnc(C[N@H+](C)C[C@@H](O)CC(C)(C)C#N)s1 ZINC000598628924 343848632 /nfs/dbraw/zinc/84/86/32/343848632.db2.gz UNFXEGWXSCAQET-JTQLQIEISA-N 1 2 268.386 1.579 20 30 CDEDLO Cc1nnc(C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)s1 ZINC000598628924 343848633 /nfs/dbraw/zinc/84/86/33/343848633.db2.gz UNFXEGWXSCAQET-JTQLQIEISA-N 1 2 268.386 1.579 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[S@](=O)CC1(C)C ZINC000598605633 343852153 /nfs/dbraw/zinc/85/21/53/343852153.db2.gz CHVKPQJSJANCTR-VOJFVSQTSA-N 1 2 272.414 1.130 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CC[S@](=O)CC1(C)C ZINC000598605633 343852154 /nfs/dbraw/zinc/85/21/54/343852154.db2.gz CHVKPQJSJANCTR-VOJFVSQTSA-N 1 2 272.414 1.130 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000619777811 349899583 /nfs/dbraw/zinc/89/95/83/349899583.db2.gz ASFVOCVVFNLVHV-ZWNOBZJWSA-N 1 2 277.755 1.973 20 30 CDEDLO Cc1nnc(C[N@@H+]2CCc3c(CC#N)cccc3C2)n1C ZINC000599679086 344117157 /nfs/dbraw/zinc/11/71/57/344117157.db2.gz PATPMGYLBDZAOE-UHFFFAOYSA-N 1 2 281.363 1.748 20 30 CDEDLO Cc1nnc(C[N@H+]2CCc3c(CC#N)cccc3C2)n1C ZINC000599679086 344117160 /nfs/dbraw/zinc/11/71/60/344117160.db2.gz PATPMGYLBDZAOE-UHFFFAOYSA-N 1 2 281.363 1.748 20 30 CDEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)Nc1cccc(C#N)c1 ZINC000599706017 344128751 /nfs/dbraw/zinc/12/87/51/344128751.db2.gz NVGLQENLVJRWMY-CYBMUJFWSA-N 1 2 274.324 1.010 20 30 CDEDLO C[N@H+]1CCOC[C@H]1CNC(=O)Nc1cccc(C#N)c1 ZINC000599706017 344128752 /nfs/dbraw/zinc/12/87/52/344128752.db2.gz NVGLQENLVJRWMY-CYBMUJFWSA-N 1 2 274.324 1.010 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000188308990 344154298 /nfs/dbraw/zinc/15/42/98/344154298.db2.gz YLBLNCTUZUMDSC-JSGCOSHPSA-N 1 2 254.374 1.426 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000599953346 344157233 /nfs/dbraw/zinc/15/72/33/344157233.db2.gz WVTKHZUAPTYSQT-UHFFFAOYSA-N 1 2 256.265 1.381 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000599953346 344157235 /nfs/dbraw/zinc/15/72/35/344157235.db2.gz WVTKHZUAPTYSQT-UHFFFAOYSA-N 1 2 256.265 1.381 20 30 CDEDLO CC(C)(C)C(=O)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602765964 344573095 /nfs/dbraw/zinc/57/30/95/344573095.db2.gz JAIWZXDKNREOHQ-UHFFFAOYSA-N 1 2 263.385 1.871 20 30 CDEDLO COc1ccsc1C[NH+]1CCN(CCC#N)CC1 ZINC000602747560 344561891 /nfs/dbraw/zinc/56/18/91/344561891.db2.gz BAYUDSBKSCYYMP-UHFFFAOYSA-N 1 2 265.382 1.788 20 30 CDEDLO Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000602861769 344617409 /nfs/dbraw/zinc/61/74/09/344617409.db2.gz ISKSYNSAJSPIET-STQMWFEESA-N 1 2 259.353 1.892 20 30 CDEDLO Cc1ccccc1CCNC(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000602863626 344621858 /nfs/dbraw/zinc/62/18/58/344621858.db2.gz OWKFKGXNTCXGSB-ZIAGYGMSSA-N 1 2 273.380 1.934 20 30 CDEDLO COc1cccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)CC#N)c1 ZINC000602865499 344638225 /nfs/dbraw/zinc/63/82/25/344638225.db2.gz YMVNKJVNYBXBCW-RYUDHWBXSA-N 1 2 275.352 1.592 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000602870455 344641256 /nfs/dbraw/zinc/64/12/56/344641256.db2.gz UDPLDBGFOJJPED-SMDDNHRTSA-N 1 2 268.320 1.555 20 30 CDEDLO CC[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)C[C@H](C)O1 ZINC000408124945 260251837 /nfs/dbraw/zinc/25/18/37/260251837.db2.gz UYVZTFQUQHUIDY-RYUDHWBXSA-N 1 2 265.357 1.048 20 30 CDEDLO CC[C@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)C[C@H](C)O1 ZINC000408124945 260251835 /nfs/dbraw/zinc/25/18/35/260251835.db2.gz UYVZTFQUQHUIDY-RYUDHWBXSA-N 1 2 265.357 1.048 20 30 CDEDLO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609538403 345594924 /nfs/dbraw/zinc/59/49/24/345594924.db2.gz LBJLUQCYHBWNFI-KKUMJFAQSA-N 1 2 294.443 1.455 20 30 CDEDLO C[N@H+](CCOc1cccc(C#N)c1)Cc1ncc[nH]1 ZINC000609540921 345596903 /nfs/dbraw/zinc/59/69/03/345596903.db2.gz REEQJTXUCPSGON-UHFFFAOYSA-N 1 2 256.309 1.792 20 30 CDEDLO C[N@@H+](CCOc1cccc(C#N)c1)Cc1ncc[nH]1 ZINC000609540921 345596905 /nfs/dbraw/zinc/59/69/05/345596905.db2.gz REEQJTXUCPSGON-UHFFFAOYSA-N 1 2 256.309 1.792 20 30 CDEDLO C=CCN(C(=O)Cc1c[nH+]cn1C)[C@@H](C)COC ZINC000617582954 345868162 /nfs/dbraw/zinc/86/81/62/345868162.db2.gz YYUHCWUYLOPWEQ-NSHDSACASA-N 1 2 251.330 1.012 20 30 CDEDLO CCSc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccn1 ZINC000584564969 346346136 /nfs/dbraw/zinc/34/61/36/346346136.db2.gz FNYPLPRUZLEXTN-CQSZACIVSA-N 1 2 292.408 1.767 20 30 CDEDLO Cc1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC000610888304 346483006 /nfs/dbraw/zinc/48/30/06/346483006.db2.gz IWKHRTGWVYTCHV-CMPLNLGQSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC000610888304 346483009 /nfs/dbraw/zinc/48/30/09/346483009.db2.gz IWKHRTGWVYTCHV-CMPLNLGQSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1ccnc(NC[C@H](C)[NH+]2CCOCC2)c1C#N ZINC000273298056 192103809 /nfs/dbraw/zinc/10/38/09/192103809.db2.gz GOZTWNDJCLTAJW-LBPRGKRZSA-N 1 2 260.341 1.394 20 30 CDEDLO COC(=O)c1cc(C[NH+]2CCN(CCC#N)CC2)oc1C ZINC000611173848 346627274 /nfs/dbraw/zinc/62/72/74/346627274.db2.gz NVPFFKQJRNRMFC-UHFFFAOYSA-N 1 2 291.351 1.406 20 30 CDEDLO N#CC1(CN2CC[NH+](Cc3cccc(O)c3)CC2)CC1 ZINC000611430773 346788210 /nfs/dbraw/zinc/78/82/10/346788210.db2.gz OEOBXHOSZBVPNR-UHFFFAOYSA-N 1 2 271.364 1.814 20 30 CDEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC000613450171 347735998 /nfs/dbraw/zinc/73/59/98/347735998.db2.gz RKDZAOBHUQRCBY-ZFWWWQNUSA-N 1 2 273.384 1.703 20 30 CDEDLO C=C[C@H]([NH2+]CCCc1ccc2c(c1)OCCO2)C(=O)OC ZINC000619702063 347909628 /nfs/dbraw/zinc/90/96/28/347909628.db2.gz FHBPYVVORBEGEQ-ZDUSSCGKSA-N 1 2 291.347 1.708 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000619722573 348213564 /nfs/dbraw/zinc/21/35/64/348213564.db2.gz SNYDAHYFPAMKPK-NSHDSACASA-N 1 2 294.311 1.156 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)Cc1ccc(OC)cc1OC ZINC000016591038 348528838 /nfs/dbraw/zinc/52/88/38/348528838.db2.gz HYIRRROJTMSVCV-UHFFFAOYSA-N 1 2 278.352 1.438 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)Cc1ccc(OC)cc1OC ZINC000016591038 348528840 /nfs/dbraw/zinc/52/88/40/348528840.db2.gz HYIRRROJTMSVCV-UHFFFAOYSA-N 1 2 278.352 1.438 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615552194 348586122 /nfs/dbraw/zinc/58/61/22/348586122.db2.gz CKWUPRNYZKKZBR-LSDHHAIUSA-N 1 2 296.411 1.291 20 30 CDEDLO C[C@@H]1CCCCN1C(=O)CN1CC[NH+](CCCC#N)CC1 ZINC000045914776 348781099 /nfs/dbraw/zinc/78/10/99/348781099.db2.gz NTNHYDKHKNHYSS-OAHLLOKOSA-N 1 2 292.427 1.309 20 30 CDEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(CCCC#N)CC1 ZINC000045914776 348781101 /nfs/dbraw/zinc/78/11/01/348781101.db2.gz NTNHYDKHKNHYSS-OAHLLOKOSA-N 1 2 292.427 1.309 20 30 CDEDLO C#CCN(CC)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000056658056 348821021 /nfs/dbraw/zinc/82/10/21/348821021.db2.gz HGQWBQURZCXPAL-UHFFFAOYSA-N 1 2 286.379 1.715 20 30 CDEDLO C#CCN(CC)C(=O)NCCCNc1cccc[nH+]1 ZINC000056658128 348821169 /nfs/dbraw/zinc/82/11/69/348821169.db2.gz HHLHUOXJXUZKCU-UHFFFAOYSA-N 1 2 260.341 1.548 20 30 CDEDLO C#CCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058782876 348870109 /nfs/dbraw/zinc/87/01/09/348870109.db2.gz RYIWTJHAEVSLRO-CQSZACIVSA-N 1 2 274.389 1.526 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)COc1ccccc1F ZINC000263740287 362942656 /nfs/dbraw/zinc/94/26/56/362942656.db2.gz USTZGJUXUOBHRQ-NWDGAFQWSA-N 1 2 266.316 1.657 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)COc1ccccc1F ZINC000263740287 362942660 /nfs/dbraw/zinc/94/26/60/362942660.db2.gz USTZGJUXUOBHRQ-NWDGAFQWSA-N 1 2 266.316 1.657 20 30 CDEDLO Cc1cccc(OC[C@@H](O)C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000263767470 362944110 /nfs/dbraw/zinc/94/41/10/362944110.db2.gz ZDFAXFYNMIDRDL-KGLIPLIRSA-N 1 2 262.353 1.826 20 30 CDEDLO Cc1cccc(OC[C@@H](O)C[N@H+](C)C[C@H](C)C#N)c1 ZINC000263767470 362944113 /nfs/dbraw/zinc/94/41/13/362944113.db2.gz ZDFAXFYNMIDRDL-KGLIPLIRSA-N 1 2 262.353 1.826 20 30 CDEDLO C[C@H]1C[C@@H](NC(=O)Nc2ccnc(C#N)c2)c2[nH+]ccn21 ZINC000603120523 350204911 /nfs/dbraw/zinc/20/49/11/350204911.db2.gz AXFWUFVMOUXPDF-JOYOIKCWSA-N 1 2 282.307 1.977 20 30 CDEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC000454309403 252341412 /nfs/dbraw/zinc/34/14/12/252341412.db2.gz AYVIMVRVFFZJQP-SECBINFHSA-N 1 2 257.297 1.594 20 30 CDEDLO CN(C(=O)C[N@H+](C1CC1)C1COC1)C1(C#N)CCCCC1 ZINC000333484069 362998807 /nfs/dbraw/zinc/99/88/07/362998807.db2.gz YFXZRRXCACODCK-UHFFFAOYSA-N 1 2 291.395 1.534 20 30 CDEDLO CN(C(=O)C[N@@H+](C1CC1)C1COC1)C1(C#N)CCCCC1 ZINC000333484069 362998814 /nfs/dbraw/zinc/99/88/14/362998814.db2.gz YFXZRRXCACODCK-UHFFFAOYSA-N 1 2 291.395 1.534 20 30 CDEDLO CC(C)[C@@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000264630969 363112228 /nfs/dbraw/zinc/11/22/28/363112228.db2.gz NWCXLTKIBNAUNP-GFCCVEGCSA-N 1 2 269.308 1.545 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1nc2ccccc2o1 ZINC000156210862 188249978 /nfs/dbraw/zinc/24/99/78/188249978.db2.gz GOYRSLOOVPKGSQ-LLVKDONJSA-N 1 2 273.336 1.950 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1nc2ccccc2o1 ZINC000156210862 188249979 /nfs/dbraw/zinc/24/99/79/188249979.db2.gz GOYRSLOOVPKGSQ-LLVKDONJSA-N 1 2 273.336 1.950 20 30 CDEDLO COc1cncc(/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000493116767 366193574 /nfs/dbraw/zinc/19/35/74/366193574.db2.gz BSOKJKBSKCZXBM-YVACAVLKSA-N 1 2 288.351 1.063 20 30 CDEDLO N#Cc1cc(F)c(C(=O)N2CCn3c[nH+]cc3C2)c(F)c1 ZINC000335243002 283095277 /nfs/dbraw/zinc/09/52/77/283095277.db2.gz YHLVXIGSJRISGL-UHFFFAOYSA-N 1 2 288.257 1.689 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000583909643 355889300 /nfs/dbraw/zinc/88/93/00/355889300.db2.gz DWZZNCUVMNNVEU-CQSZACIVSA-N 1 2 273.336 1.338 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000583909643 355889307 /nfs/dbraw/zinc/88/93/07/355889307.db2.gz DWZZNCUVMNNVEU-CQSZACIVSA-N 1 2 273.336 1.338 20 30 CDEDLO COCC[N@@H+]1CCN(C(=O)c2sccc2C#N)C[C@@H]1C ZINC000117284278 356131288 /nfs/dbraw/zinc/13/12/88/356131288.db2.gz KIQXOHBOCUVICW-NSHDSACASA-N 1 2 293.392 1.412 20 30 CDEDLO COCC[N@H+]1CCN(C(=O)c2sccc2C#N)C[C@@H]1C ZINC000117284278 356131292 /nfs/dbraw/zinc/13/12/92/356131292.db2.gz KIQXOHBOCUVICW-NSHDSACASA-N 1 2 293.392 1.412 20 30 CDEDLO N#Cc1ccc2c(c1)N(C(=O)[C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000328865133 202087291 /nfs/dbraw/zinc/08/72/91/202087291.db2.gz NECWBDQLXWYMQN-AWEZNQCLSA-N 1 2 292.342 1.906 20 30 CDEDLO C#CC(C)(C)[N@H+](C)CCS(=O)(=O)Cc1ccccc1 ZINC000298650598 356907670 /nfs/dbraw/zinc/90/76/70/356907670.db2.gz XKBKPCHFKTUFEF-UHFFFAOYSA-N 1 2 279.405 1.945 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)CCS(=O)(=O)Cc1ccccc1 ZINC000298650598 356907672 /nfs/dbraw/zinc/90/76/72/356907672.db2.gz XKBKPCHFKTUFEF-UHFFFAOYSA-N 1 2 279.405 1.945 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000299258313 357002501 /nfs/dbraw/zinc/00/25/01/357002501.db2.gz GKGPPIWICXEPCP-NEPJUHHUSA-N 1 2 251.330 1.369 20 30 CDEDLO Cc1c[nH+]ccc1NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000107357105 357316652 /nfs/dbraw/zinc/31/66/52/357316652.db2.gz JVNVQDYFXQWNIH-UHFFFAOYSA-N 1 2 294.314 1.630 20 30 CDEDLO CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000334540390 357597938 /nfs/dbraw/zinc/59/79/38/357597938.db2.gz BUGPHDSPKUBLFD-ZDUSSCGKSA-N 1 2 292.770 1.715 20 30 CDEDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000334540390 357597941 /nfs/dbraw/zinc/59/79/41/357597941.db2.gz BUGPHDSPKUBLFD-ZDUSSCGKSA-N 1 2 292.770 1.715 20 30 CDEDLO C#CCO[C@H](C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000294447877 199043125 /nfs/dbraw/zinc/04/31/25/199043125.db2.gz RISVISSGKAEEAP-CYBMUJFWSA-N 1 2 287.363 1.336 20 30 CDEDLO CC(C)(C)CCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000157843648 357978612 /nfs/dbraw/zinc/97/86/12/357978612.db2.gz PJFMBFNZKAHOTE-UHFFFAOYSA-N 1 2 295.427 1.887 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)ccc1C#N ZINC000337438401 358038000 /nfs/dbraw/zinc/03/80/00/358038000.db2.gz DXJQJCWUNYMQCO-AWEZNQCLSA-N 1 2 278.377 1.486 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)ccc1C#N ZINC000337438401 358038004 /nfs/dbraw/zinc/03/80/04/358038004.db2.gz DXJQJCWUNYMQCO-AWEZNQCLSA-N 1 2 278.377 1.486 20 30 CDEDLO CC(C)c1nnc(/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C)o1 ZINC000493489128 366407077 /nfs/dbraw/zinc/40/70/77/366407077.db2.gz UZISSTAZFFPXGT-PSKZRQQASA-N 1 2 291.355 1.166 20 30 CDEDLO N#Cc1ccc(CC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000291001422 358803986 /nfs/dbraw/zinc/80/39/86/358803986.db2.gz YREFDZYQRKWRQH-UHFFFAOYSA-N 1 2 266.304 1.340 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1nc2ccccc2o1 ZINC000493800610 366494411 /nfs/dbraw/zinc/49/44/11/366494411.db2.gz BLIKPLZNZCEKMM-HLRDLLSLSA-N 1 2 298.346 1.801 20 30 CDEDLO C=C(Br)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366952790 359032712 /nfs/dbraw/zinc/03/27/12/359032712.db2.gz BPWJJYCHZNGPKQ-LLVKDONJSA-N 1 2 275.190 1.302 20 30 CDEDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccncc1F ZINC000338363655 359117432 /nfs/dbraw/zinc/11/74/32/359117432.db2.gz AQPAJRPUEAQNCQ-ZUZCIYMTSA-N 1 2 298.321 1.970 20 30 CDEDLO C=C1CC[NH+](CC(=O)NC(=O)NCc2cccs2)CC1 ZINC000264447390 359309630 /nfs/dbraw/zinc/30/96/30/359309630.db2.gz HGKIICWSLWXSED-UHFFFAOYSA-N 1 2 293.392 1.726 20 30 CDEDLO C=C1CC[NH+](CC(=O)N[C@H](CC(C)C)C(=O)OC)CC1 ZINC000264465006 359310013 /nfs/dbraw/zinc/31/00/13/359310013.db2.gz LLOKBLMSLDWNTF-CYBMUJFWSA-N 1 2 282.384 1.342 20 30 CDEDLO C=C1CC[NH+](CC(=O)N2CCCC[C@@H]2C(=O)OCC)CC1 ZINC000264430845 359310271 /nfs/dbraw/zinc/31/02/71/359310271.db2.gz CIYJBEWEGMPVDA-CQSZACIVSA-N 1 2 294.395 1.583 20 30 CDEDLO CC[C@@H](O)C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000339057257 359282770 /nfs/dbraw/zinc/28/27/70/359282770.db2.gz DFQKNMLOJXIOPI-CABCVRRESA-N 1 2 260.337 1.702 20 30 CDEDLO CC[C@@H](O)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000339057257 359282775 /nfs/dbraw/zinc/28/27/75/359282775.db2.gz DFQKNMLOJXIOPI-CABCVRRESA-N 1 2 260.337 1.702 20 30 CDEDLO C=C(Cl)CNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000265464320 359330975 /nfs/dbraw/zinc/33/09/75/359330975.db2.gz HFYGOCWAILZXTE-UHFFFAOYSA-N 1 2 268.748 1.699 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N(C)Cc1[nH+]ccn1C)OCC ZINC000270154569 359391058 /nfs/dbraw/zinc/39/10/58/359391058.db2.gz WYPKVZUANVBRNC-GFCCVEGCSA-N 1 2 265.357 1.750 20 30 CDEDLO CC(C)(O)C[NH+]1CCN(C(=O)c2ccc(C#N)s2)CC1 ZINC000487256498 359864227 /nfs/dbraw/zinc/86/42/27/359864227.db2.gz RGHBZUITVXQCKS-UHFFFAOYSA-N 1 2 293.392 1.148 20 30 CDEDLO COc1ccc(C#N)cc1C[NH+]1CCN(C(C)=O)CC1 ZINC000130389264 359980647 /nfs/dbraw/zinc/98/06/47/359980647.db2.gz VZUSJVFSUYJACI-UHFFFAOYSA-N 1 2 273.336 1.231 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCN(C)[C@@H](C(C)C)C2)C1=O ZINC000337212248 360041070 /nfs/dbraw/zinc/04/10/70/360041070.db2.gz VHZKGVLBXHWZEQ-ZIAGYGMSSA-N 1 2 265.401 1.045 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(C)[C@@H](C(C)C)C2)C1=O ZINC000337212248 360041074 /nfs/dbraw/zinc/04/10/74/360041074.db2.gz VHZKGVLBXHWZEQ-ZIAGYGMSSA-N 1 2 265.401 1.045 20 30 CDEDLO COc1cc(C[N@@H+]2CCC[C@](F)(CO)C2)ccc1C#N ZINC000289699405 360234018 /nfs/dbraw/zinc/23/40/18/360234018.db2.gz FYHMVSCFGWVMBQ-OAHLLOKOSA-N 1 2 278.327 1.863 20 30 CDEDLO COc1cc(C[N@H+]2CCC[C@](F)(CO)C2)ccc1C#N ZINC000289699405 360234025 /nfs/dbraw/zinc/23/40/25/360234025.db2.gz FYHMVSCFGWVMBQ-OAHLLOKOSA-N 1 2 278.327 1.863 20 30 CDEDLO CC1(C)C[N@H+](CCNC(=O)c2cc(C#N)cs2)CCO1 ZINC000177453005 189052356 /nfs/dbraw/zinc/05/23/56/189052356.db2.gz CVUXHGMSQZSXBN-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO CC1(C)C[N@@H+](CCNC(=O)c2cc(C#N)cs2)CCO1 ZINC000177453005 189052357 /nfs/dbraw/zinc/05/23/57/189052357.db2.gz CVUXHGMSQZSXBN-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cn2ccsc2n1 ZINC000572475704 360499121 /nfs/dbraw/zinc/49/91/21/360499121.db2.gz PVXBCWIEKCWWES-SNVBAGLBSA-N 1 2 259.338 1.929 20 30 CDEDLO C[C@H]1CN(C(=O)C[N@H+](CCC#N)CC(C)(C)C)C[C@H](C)O1 ZINC000112673561 360528904 /nfs/dbraw/zinc/52/89/04/360528904.db2.gz FFEZYTBEQBYGMY-KBPBESRZSA-N 1 2 295.427 1.884 20 30 CDEDLO C[C@H]1CN(C(=O)C[N@@H+](CCC#N)CC(C)(C)C)C[C@H](C)O1 ZINC000112673561 360528910 /nfs/dbraw/zinc/52/89/10/360528910.db2.gz FFEZYTBEQBYGMY-KBPBESRZSA-N 1 2 295.427 1.884 20 30 CDEDLO Cc1nc(C(=O)N(C)CCCn2cc[nH+]c2)ccc1C#N ZINC000178092619 189090292 /nfs/dbraw/zinc/09/02/92/189090292.db2.gz YLMXVQHJCXOOOD-UHFFFAOYSA-N 1 2 283.335 1.621 20 30 CDEDLO COc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccc1F ZINC000516297543 360591308 /nfs/dbraw/zinc/59/13/08/360591308.db2.gz FQWFMSDXYWWIHX-CQSZACIVSA-N 1 2 279.315 1.408 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CCC[C@@H]2C#N)CCO1 ZINC000426236317 360652007 /nfs/dbraw/zinc/65/20/07/360652007.db2.gz FOZXLJGSZUEPAI-MCIONIFRSA-N 1 2 294.399 1.089 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CCC[C@@H]2C#N)CCO1 ZINC000426236317 360652010 /nfs/dbraw/zinc/65/20/10/360652010.db2.gz FOZXLJGSZUEPAI-MCIONIFRSA-N 1 2 294.399 1.089 20 30 CDEDLO CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000128351616 360713338 /nfs/dbraw/zinc/71/33/38/360713338.db2.gz BLGCULMXXFFFMW-LLVKDONJSA-N 1 2 274.324 1.445 20 30 CDEDLO N#CC1(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCC1 ZINC000128871040 360767370 /nfs/dbraw/zinc/76/73/70/360767370.db2.gz RXLKONLJJGPGFN-UHFFFAOYSA-N 1 2 284.363 1.992 20 30 CDEDLO O=C(NCC#Cc1cccc(F)c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000338240109 360789679 /nfs/dbraw/zinc/78/96/79/360789679.db2.gz PBYVSRROJCAOML-CQSZACIVSA-N 1 2 297.333 1.753 20 30 CDEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1cc(C#N)ncn1 ZINC000572986991 360794726 /nfs/dbraw/zinc/79/47/26/360794726.db2.gz CFZTXQCLKSWOFK-UHFFFAOYSA-N 1 2 268.324 1.517 20 30 CDEDLO C[N@H+](CCC(F)(F)F)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000338258714 360807358 /nfs/dbraw/zinc/80/73/58/360807358.db2.gz YYPLKYZNKAJPER-LLVKDONJSA-N 1 2 277.290 1.679 20 30 CDEDLO C[N@@H+](CCC(F)(F)F)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000338258714 360807362 /nfs/dbraw/zinc/80/73/62/360807362.db2.gz YYPLKYZNKAJPER-LLVKDONJSA-N 1 2 277.290 1.679 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H](C)N1CCO ZINC000449544409 360912449 /nfs/dbraw/zinc/91/24/49/360912449.db2.gz QHJAOBFAZPDOFR-OKILXGFUSA-N 1 2 273.380 1.445 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H](C)N1CCO ZINC000449544409 360912450 /nfs/dbraw/zinc/91/24/50/360912450.db2.gz QHJAOBFAZPDOFR-OKILXGFUSA-N 1 2 273.380 1.445 20 30 CDEDLO C=CCCOCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000179493925 189197665 /nfs/dbraw/zinc/19/76/65/189197665.db2.gz MFTCSHDVXJVICY-UHFFFAOYSA-N 1 2 259.309 1.657 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338628300 360949563 /nfs/dbraw/zinc/94/95/63/360949563.db2.gz ZJIULPQXNDWKQQ-OCCSQVGLSA-N 1 2 272.364 1.206 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338628300 360949566 /nfs/dbraw/zinc/94/95/66/360949566.db2.gz ZJIULPQXNDWKQQ-OCCSQVGLSA-N 1 2 272.364 1.206 20 30 CDEDLO C=CCCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000665943679 482854210 /nfs/dbraw/zinc/85/42/10/482854210.db2.gz YYAXWMPHSMCQMR-ZDUSSCGKSA-N 1 2 267.373 1.069 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCOC2(CCCC2)C1 ZINC000157996806 361035867 /nfs/dbraw/zinc/03/58/67/361035867.db2.gz JHGPMGUOXIZOGL-LBPRGKRZSA-N 1 2 295.383 1.032 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCOC2(CCCC2)C1 ZINC000157996806 361035877 /nfs/dbraw/zinc/03/58/77/361035877.db2.gz JHGPMGUOXIZOGL-LBPRGKRZSA-N 1 2 295.383 1.032 20 30 CDEDLO C=CCC(C)(C)CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000432114896 361110161 /nfs/dbraw/zinc/11/01/61/361110161.db2.gz DXPFOXIONZSKGJ-KBPBESRZSA-N 1 2 297.443 1.997 20 30 CDEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C[C@H](C)O1 ZINC000247488108 361115084 /nfs/dbraw/zinc/11/50/84/361115084.db2.gz GNBSRWPZYYULAQ-YNEHKIRRSA-N 1 2 267.373 1.246 20 30 CDEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)CCC#N)C[C@H](C)O1 ZINC000247488108 361115090 /nfs/dbraw/zinc/11/50/90/361115090.db2.gz GNBSRWPZYYULAQ-YNEHKIRRSA-N 1 2 267.373 1.246 20 30 CDEDLO C[N@H+](C[C@H]1CCCS(=O)(=O)C1)CC(C)(C)C#N ZINC000433297084 361228504 /nfs/dbraw/zinc/22/85/04/361228504.db2.gz VBIDZRYGTKBKNT-LLVKDONJSA-N 1 2 258.387 1.293 20 30 CDEDLO C[N@@H+](C[C@H]1CCCS(=O)(=O)C1)CC(C)(C)C#N ZINC000433297084 361228510 /nfs/dbraw/zinc/22/85/10/361228510.db2.gz VBIDZRYGTKBKNT-LLVKDONJSA-N 1 2 258.387 1.293 20 30 CDEDLO CC[C@H](C)[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C#N)C(=O)OC ZINC000433302966 361230127 /nfs/dbraw/zinc/23/01/27/361230127.db2.gz KDDCKJSGYQEXIP-WCQYABFASA-N 1 2 297.399 1.172 20 30 CDEDLO CC[C@H](C)[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C#N)C(=O)OC ZINC000433302966 361230132 /nfs/dbraw/zinc/23/01/32/361230132.db2.gz KDDCKJSGYQEXIP-WCQYABFASA-N 1 2 297.399 1.172 20 30 CDEDLO C=CCCCCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433901919 361276381 /nfs/dbraw/zinc/27/63/81/361276381.db2.gz URMPGNULAMOLQC-UHFFFAOYSA-N 1 2 281.400 1.507 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccccc1F ZINC000435537919 361411280 /nfs/dbraw/zinc/41/12/80/361411280.db2.gz RRLYDINBCQUCPD-LLVKDONJSA-N 1 2 252.289 1.411 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccccc1F ZINC000435537919 361411284 /nfs/dbraw/zinc/41/12/84/361411284.db2.gz RRLYDINBCQUCPD-LLVKDONJSA-N 1 2 252.289 1.411 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCC[C@@H]2CCOC2)C1 ZINC000329673477 361699616 /nfs/dbraw/zinc/69/96/16/361699616.db2.gz UYHVJUQARDFULH-CHWSQXEVSA-N 1 2 292.383 1.550 20 30 CDEDLO C[C@H]1CCN(c2ccc(C#N)c(N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000580212260 363893768 /nfs/dbraw/zinc/89/37/68/363893768.db2.gz FAZLXCJYHWQKOS-AAEUAGOBSA-N 1 2 282.351 1.819 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000367599440 364000551 /nfs/dbraw/zinc/00/05/51/364000551.db2.gz HKBWQIUXXWPDDP-CVEARBPZSA-N 1 2 272.348 1.938 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000367599440 364000556 /nfs/dbraw/zinc/00/05/56/364000556.db2.gz HKBWQIUXXWPDDP-CVEARBPZSA-N 1 2 272.348 1.938 20 30 CDEDLO CC(C)[C@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000573370425 364036820 /nfs/dbraw/zinc/03/68/20/364036820.db2.gz DRQFESWMFMRXJL-CQSZACIVSA-N 1 2 285.351 1.458 20 30 CDEDLO CC(C)[C@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000573370425 364036830 /nfs/dbraw/zinc/03/68/30/364036830.db2.gz DRQFESWMFMRXJL-CQSZACIVSA-N 1 2 285.351 1.458 20 30 CDEDLO C#CCN1CCN(C(=O)C[N@@H+](C)[C@@H](C)c2ccco2)CC1 ZINC000490779857 364321328 /nfs/dbraw/zinc/32/13/28/364321328.db2.gz BDJNXJYCKMFYQS-AWEZNQCLSA-N 1 2 289.379 1.050 20 30 CDEDLO C#CCN1CCN(C(=O)C[N@H+](C)[C@@H](C)c2ccco2)CC1 ZINC000490779857 364321334 /nfs/dbraw/zinc/32/13/34/364321334.db2.gz BDJNXJYCKMFYQS-AWEZNQCLSA-N 1 2 289.379 1.050 20 30 CDEDLO C[C@@H]1CCN(c2nccnc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000268252011 364589923 /nfs/dbraw/zinc/58/99/23/364589923.db2.gz KDOVAXCTMCIFFE-DGCLKSJQSA-N 1 2 268.324 1.632 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000054390293 364595145 /nfs/dbraw/zinc/59/51/45/364595145.db2.gz ZTXSIEFQISMBCO-UHFFFAOYSA-N 1 2 287.363 1.305 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000054390293 364595155 /nfs/dbraw/zinc/59/51/55/364595155.db2.gz ZTXSIEFQISMBCO-UHFFFAOYSA-N 1 2 287.363 1.305 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000249391257 364640153 /nfs/dbraw/zinc/64/01/53/364640153.db2.gz RQESHJHWUPUFEB-BXUZGUMPSA-N 1 2 274.320 1.493 20 30 CDEDLO COC(=O)[C@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000249391257 364640157 /nfs/dbraw/zinc/64/01/57/364640157.db2.gz RQESHJHWUPUFEB-BXUZGUMPSA-N 1 2 274.320 1.493 20 30 CDEDLO C[C@H]1C[C@H](CO)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000356332401 364687768 /nfs/dbraw/zinc/68/77/68/364687768.db2.gz GGMOLIARPSYNFT-VHSXEESVSA-N 1 2 251.355 1.608 20 30 CDEDLO C[C@H]1C[C@H](CO)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000356332401 364687772 /nfs/dbraw/zinc/68/77/72/364687772.db2.gz GGMOLIARPSYNFT-VHSXEESVSA-N 1 2 251.355 1.608 20 30 CDEDLO Cc1sc(NC(=O)C[N@H+]2C[C@@H](O)C[C@H]2C)c(C#N)c1C ZINC000340927693 364739308 /nfs/dbraw/zinc/73/93/08/364739308.db2.gz PQGPUDFNQRZFNM-KCJUWKMLSA-N 1 2 293.392 1.630 20 30 CDEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@@H](O)C[C@H]2C)c(C#N)c1C ZINC000340927693 364739313 /nfs/dbraw/zinc/73/93/13/364739313.db2.gz PQGPUDFNQRZFNM-KCJUWKMLSA-N 1 2 293.392 1.630 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(-c2cc(C)ccn2)no1 ZINC000491326284 364962931 /nfs/dbraw/zinc/96/29/31/364962931.db2.gz LRADUSXLSLMYMH-LLVKDONJSA-N 1 2 256.309 1.894 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(-c2cc(C)ccn2)no1 ZINC000491326284 364962934 /nfs/dbraw/zinc/96/29/34/364962934.db2.gz LRADUSXLSLMYMH-LLVKDONJSA-N 1 2 256.309 1.894 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000298589304 364968681 /nfs/dbraw/zinc/96/86/81/364968681.db2.gz XUYUBEOFLYZPNB-OAHLLOKOSA-N 1 2 292.404 1.815 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000298589304 364968683 /nfs/dbraw/zinc/96/86/83/364968683.db2.gz XUYUBEOFLYZPNB-OAHLLOKOSA-N 1 2 292.404 1.815 20 30 CDEDLO C=CCC[C@@H](O)Cn1cc(C[NH+]2CCC(OC)CC2)nn1 ZINC000641212035 365215082 /nfs/dbraw/zinc/21/50/82/365215082.db2.gz FVGMDQZOYOJPDN-CQSZACIVSA-N 1 2 294.399 1.216 20 30 CDEDLO C[C@@H]([NH2+]CC(=O)NCC#N)c1c(F)cccc1F ZINC000507226176 367009639 /nfs/dbraw/zinc/00/96/39/367009639.db2.gz BUKKVNSHUXDIBQ-MRVPVSSYSA-N 1 2 253.252 1.255 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccoc2CC)CC1 ZINC000280430421 367389993 /nfs/dbraw/zinc/38/99/93/367389993.db2.gz CGJSNNFYZKWDCE-UHFFFAOYSA-N 1 2 260.337 1.623 20 30 CDEDLO C#CC[N@@H+](CC(=O)NC(C)C)Cc1ccc(F)cc1 ZINC000065958438 368339759 /nfs/dbraw/zinc/33/97/59/368339759.db2.gz WHFWCAKRRHGTHD-UHFFFAOYSA-N 1 2 262.328 1.786 20 30 CDEDLO C#CC[N@H+](CC(=O)NC(C)C)Cc1ccc(F)cc1 ZINC000065958438 368339763 /nfs/dbraw/zinc/33/97/63/368339763.db2.gz WHFWCAKRRHGTHD-UHFFFAOYSA-N 1 2 262.328 1.786 20 30 CDEDLO COC(=O)[C@@H]1CCN(c2cc(C)[nH+]cc2C#N)[C@@H]1C ZINC000425256067 284070087 /nfs/dbraw/zinc/07/00/87/284070087.db2.gz OIFXAKWNJFUIHB-ZYHUDNBSSA-N 1 2 259.309 1.650 20 30 CDEDLO C[C@@H](C#N)CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000543803399 368979603 /nfs/dbraw/zinc/97/96/03/368979603.db2.gz HJYSVVBRIHMXEX-LBPRGKRZSA-N 1 2 283.335 1.831 20 30 CDEDLO CCC[C@H]1C[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)CCO1 ZINC000132374678 369203777 /nfs/dbraw/zinc/20/37/77/369203777.db2.gz XDMNGEUENINNGY-KBPBESRZSA-N 1 2 281.400 1.495 20 30 CDEDLO CCC[C@H]1C[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)CCO1 ZINC000132374678 369203783 /nfs/dbraw/zinc/20/37/83/369203783.db2.gz XDMNGEUENINNGY-KBPBESRZSA-N 1 2 281.400 1.495 20 30 CDEDLO CC#CC[NH2+]Cc1cn(-c2ccc(Cl)cn2)nn1 ZINC000630610570 369396663 /nfs/dbraw/zinc/39/66/63/369396663.db2.gz KOWXUTKVIQSNRM-UHFFFAOYSA-N 1 2 261.716 1.429 20 30 CDEDLO N#CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000369002204 369663186 /nfs/dbraw/zinc/66/31/86/369663186.db2.gz MVLDCDLXNWVMCZ-GFCCVEGCSA-N 1 2 258.325 1.646 20 30 CDEDLO N#CCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000369002204 369663191 /nfs/dbraw/zinc/66/31/91/369663191.db2.gz MVLDCDLXNWVMCZ-GFCCVEGCSA-N 1 2 258.325 1.646 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cccc(C#N)c1 ZINC000170865696 369979566 /nfs/dbraw/zinc/97/95/66/369979566.db2.gz SEWZTCUTTPUAIM-UHFFFAOYSA-N 1 2 287.363 1.399 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1cccc(C#N)c1 ZINC000170865696 369979569 /nfs/dbraw/zinc/97/95/69/369979569.db2.gz SEWZTCUTTPUAIM-UHFFFAOYSA-N 1 2 287.363 1.399 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000564665979 370245513 /nfs/dbraw/zinc/24/55/13/370245513.db2.gz KVPMSWPZKFIIBZ-GFCCVEGCSA-N 1 2 292.364 1.009 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ncccn2)C1=O ZINC000639873787 370396324 /nfs/dbraw/zinc/39/63/24/370396324.db2.gz VJGYYAMINHCRED-CHWSQXEVSA-N 1 2 272.352 1.400 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2c2ncccn2)C1=O ZINC000639873787 370396326 /nfs/dbraw/zinc/39/63/26/370396326.db2.gz VJGYYAMINHCRED-CHWSQXEVSA-N 1 2 272.352 1.400 20 30 CDEDLO CC[N@@H+](Cc1cnc(N2CCOCC2)s1)C[C@@H](C)C#N ZINC000120479066 370405131 /nfs/dbraw/zinc/40/51/31/370405131.db2.gz KJHFYFNJLWGPAV-LBPRGKRZSA-N 1 2 294.424 1.961 20 30 CDEDLO CC[N@H+](Cc1cnc(N2CCOCC2)s1)C[C@@H](C)C#N ZINC000120479066 370405135 /nfs/dbraw/zinc/40/51/35/370405135.db2.gz KJHFYFNJLWGPAV-LBPRGKRZSA-N 1 2 294.424 1.961 20 30 CDEDLO N#CC1(CNC(=O)NCCCCn2cc[nH+]c2)CCC1 ZINC000565470896 370453333 /nfs/dbraw/zinc/45/33/33/370453333.db2.gz ANGBWROIZIHXPU-UHFFFAOYSA-N 1 2 275.356 1.656 20 30 CDEDLO COC[C@@](C)(C#N)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000582429537 370629549 /nfs/dbraw/zinc/62/95/49/370629549.db2.gz WXLPJTWEUIBNGT-CQSZACIVSA-N 1 2 272.308 1.301 20 30 CDEDLO C#CC[NH+]1CCN(CN2C[C@H](c3ccccc3)CC2=O)CC1 ZINC000156491383 371075023 /nfs/dbraw/zinc/07/50/23/371075023.db2.gz FXDFMJXIZHNTGW-QGZVFWFLSA-N 1 2 297.402 1.211 20 30 CDEDLO CC#CCC[N@@H+]1CCNC(=O)[C@@H]1c1cccc(C)c1 ZINC000569139504 371238878 /nfs/dbraw/zinc/23/88/78/371238878.db2.gz IRPNNSKKMMUTBT-HNNXBMFYSA-N 1 2 256.349 1.881 20 30 CDEDLO CC#CCC[N@H+]1CCNC(=O)[C@@H]1c1cccc(C)c1 ZINC000569139504 371238884 /nfs/dbraw/zinc/23/88/84/371238884.db2.gz IRPNNSKKMMUTBT-HNNXBMFYSA-N 1 2 256.349 1.881 20 30 CDEDLO CN1CCc2ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc21 ZINC000573328528 371504570 /nfs/dbraw/zinc/50/45/70/371504570.db2.gz PLYNLPXUALABFX-MRXNPFEDSA-N 1 2 286.379 1.253 20 30 CDEDLO CC1(C)C[N@H+](CC(=O)NC2(C#N)CCC2)[C@H]1[C@@H]1CCCO1 ZINC000577837112 372136416 /nfs/dbraw/zinc/13/64/16/372136416.db2.gz YFJCNSPGTUQZNM-JSGCOSHPSA-N 1 2 291.395 1.438 20 30 CDEDLO CC1(C)C[N@@H+](CC(=O)NC2(C#N)CCC2)[C@H]1[C@@H]1CCCO1 ZINC000577837112 372136421 /nfs/dbraw/zinc/13/64/21/372136421.db2.gz YFJCNSPGTUQZNM-JSGCOSHPSA-N 1 2 291.395 1.438 20 30 CDEDLO N#CC1(C[NH+]2CCC(c3n[nH]c(=O)o3)CC2)CCC1 ZINC000577824209 372130263 /nfs/dbraw/zinc/13/02/63/372130263.db2.gz BKCMEVZTEOWTFY-UHFFFAOYSA-N 1 2 262.313 1.648 20 30 CDEDLO C[C@@H](C#N)C[NH2+]Cc1ccccc1OCC(=O)N(C)C ZINC000183825286 372643603 /nfs/dbraw/zinc/64/36/03/372643603.db2.gz SHTSSMJJFXKGCZ-LBPRGKRZSA-N 1 2 275.352 1.403 20 30 CDEDLO N#C[C@@H]1[N@H+](CCC2(O)CC2)CCC[C@]12CCCCO2 ZINC000580814020 372700959 /nfs/dbraw/zinc/70/09/59/372700959.db2.gz ZZGNNQQZNLOCSG-DZGCQCFKSA-N 1 2 264.369 1.829 20 30 CDEDLO N#C[C@@H]1[N@@H+](CCC2(O)CC2)CCC[C@]12CCCCO2 ZINC000580814020 372700963 /nfs/dbraw/zinc/70/09/63/372700963.db2.gz ZZGNNQQZNLOCSG-DZGCQCFKSA-N 1 2 264.369 1.829 20 30 CDEDLO C[C@H]1C[N@H+](CCN(CCC#N)CC2CC2)CCO1 ZINC000191526436 373515341 /nfs/dbraw/zinc/51/53/41/373515341.db2.gz XMWPQPRUFJRJNT-ZDUSSCGKSA-N 1 2 251.374 1.333 20 30 CDEDLO C[C@H]1C[N@@H+](CCN(CCC#N)CC2CC2)CCO1 ZINC000191526436 373515347 /nfs/dbraw/zinc/51/53/47/373515347.db2.gz XMWPQPRUFJRJNT-ZDUSSCGKSA-N 1 2 251.374 1.333 20 30 CDEDLO C=CCC1(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CCC1 ZINC000191427099 373487325 /nfs/dbraw/zinc/48/73/25/373487325.db2.gz MVMWWWOUGDQDNO-AWEZNQCLSA-N 1 2 279.428 1.485 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)c1c(C#N)nnc2ccccc21 ZINC000348707159 373604445 /nfs/dbraw/zinc/60/44/45/373604445.db2.gz QPKOKKKJWDPXMJ-UHFFFAOYSA-N 1 2 264.292 1.861 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccco3)CC2)[nH]1 ZINC000269673085 373713365 /nfs/dbraw/zinc/71/33/65/373713365.db2.gz BVUIIQCFLODYEM-UHFFFAOYSA-N 1 2 284.319 1.437 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)CNc1ccc(C#N)cc1 ZINC000358603699 373964864 /nfs/dbraw/zinc/96/48/64/373964864.db2.gz ZNGHMZSYMKTMNP-UHFFFAOYSA-N 1 2 269.308 1.318 20 30 CDEDLO N#Cc1cccc(C[NH+]2CCN(CC(F)F)CC2)c1 ZINC000057914968 374055629 /nfs/dbraw/zinc/05/56/29/374055629.db2.gz VTRIIDIMCVMFQW-UHFFFAOYSA-N 1 2 265.307 1.941 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)Cc1ccc(C#N)cc1 ZINC000110512940 374111277 /nfs/dbraw/zinc/11/12/77/374111277.db2.gz COULAFWDFHWVHQ-UHFFFAOYSA-N 1 2 254.293 1.151 20 30 CDEDLO N#Cc1ncccc1N1CCC(n2cc[nH+]c2)CC1 ZINC000274136926 374136030 /nfs/dbraw/zinc/13/60/30/374136030.db2.gz WTJWCSNEIZVDPG-UHFFFAOYSA-N 1 2 253.309 1.991 20 30 CDEDLO Cc1cc(NCC[NH+]2CCOCC2)c(C#N)cc1[N+](=O)[O-] ZINC000413025623 374201863 /nfs/dbraw/zinc/20/18/63/374201863.db2.gz RFOHHXSKRGYETQ-UHFFFAOYSA-N 1 2 290.323 1.519 20 30 CDEDLO COCC[N@@H+]1CCN(c2ncc(C#N)cc2Cl)C[C@H]1C ZINC000114709521 374346497 /nfs/dbraw/zinc/34/64/97/374346497.db2.gz USBWSENPKPEUFP-LLVKDONJSA-N 1 2 294.786 1.764 20 30 CDEDLO COCC[N@H+]1CCN(c2ncc(C#N)cc2Cl)C[C@H]1C ZINC000114709521 374346501 /nfs/dbraw/zinc/34/65/01/374346501.db2.gz USBWSENPKPEUFP-LLVKDONJSA-N 1 2 294.786 1.764 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000106805861 374438378 /nfs/dbraw/zinc/43/83/78/374438378.db2.gz NKTIHIKXTFHWJX-CQSZACIVSA-N 1 2 265.401 1.191 20 30 CDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCOCC12CC2 ZINC000528495096 374447748 /nfs/dbraw/zinc/44/77/48/374447748.db2.gz XEGKSIFYDVVDIM-AWEZNQCLSA-N 1 2 288.347 1.163 20 30 CDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCOCC12CC2 ZINC000528495096 374447758 /nfs/dbraw/zinc/44/77/58/374447758.db2.gz XEGKSIFYDVVDIM-AWEZNQCLSA-N 1 2 288.347 1.163 20 30 CDEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000080624254 374475040 /nfs/dbraw/zinc/47/50/40/374475040.db2.gz WFFXYSITTGZHJE-UHFFFAOYSA-N 1 2 276.321 1.068 20 30 CDEDLO C[C@H](CS(C)(=O)=O)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000069866362 374621261 /nfs/dbraw/zinc/62/12/61/374621261.db2.gz PNYPGIMKSAFELK-GFCCVEGCSA-N 1 2 296.392 1.302 20 30 CDEDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000069866362 374621263 /nfs/dbraw/zinc/62/12/63/374621263.db2.gz PNYPGIMKSAFELK-GFCCVEGCSA-N 1 2 296.392 1.302 20 30 CDEDLO CS(=O)(=O)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000282117773 375064861 /nfs/dbraw/zinc/06/48/61/375064861.db2.gz JJLMNPHSFRVZJS-ZDUSSCGKSA-N 1 2 264.350 1.177 20 30 CDEDLO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000282117773 375064870 /nfs/dbraw/zinc/06/48/70/375064870.db2.gz JJLMNPHSFRVZJS-ZDUSSCGKSA-N 1 2 264.350 1.177 20 30 CDEDLO C=CCn1cc(CNc2cc(NCC3CC3)[nH+]cn2)nn1 ZINC000425261938 375558347 /nfs/dbraw/zinc/55/83/47/375558347.db2.gz FQCMVGWEBQVGEO-UHFFFAOYSA-N 1 2 285.355 1.110 20 30 CDEDLO C=CCn1cc(CNc2cc(NCC3CC3)nc[nH+]2)nn1 ZINC000425261938 375558352 /nfs/dbraw/zinc/55/83/52/375558352.db2.gz FQCMVGWEBQVGEO-UHFFFAOYSA-N 1 2 285.355 1.110 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000049001171 375873680 /nfs/dbraw/zinc/87/36/80/375873680.db2.gz XUYIIHJBIFLTGF-STQMWFEESA-N 1 2 276.384 1.809 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000049001171 375873684 /nfs/dbraw/zinc/87/36/84/375873684.db2.gz XUYIIHJBIFLTGF-STQMWFEESA-N 1 2 276.384 1.809 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000193859166 375902350 /nfs/dbraw/zinc/90/23/50/375902350.db2.gz WNMXVGGTMWEVLQ-STQMWFEESA-N 1 2 289.383 1.350 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000193859166 375902360 /nfs/dbraw/zinc/90/23/60/375902360.db2.gz WNMXVGGTMWEVLQ-STQMWFEESA-N 1 2 289.383 1.350 20 30 CDEDLO CCC(=O)N1CC[C@H](NC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000328673974 375917299 /nfs/dbraw/zinc/91/72/99/375917299.db2.gz JMLSWKMDPCZVKO-LBPRGKRZSA-N 1 2 297.399 1.065 20 30 CDEDLO O=C(C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)NC1CCCC1 ZINC000328942940 376015600 /nfs/dbraw/zinc/01/56/00/376015600.db2.gz FRGBUBRVUCRWGY-RRFJBIMHSA-N 1 2 296.411 1.747 20 30 CDEDLO O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)NC1CCCC1 ZINC000328942940 376015604 /nfs/dbraw/zinc/01/56/04/376015604.db2.gz FRGBUBRVUCRWGY-RRFJBIMHSA-N 1 2 296.411 1.747 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000632295450 377257909 /nfs/dbraw/zinc/25/79/09/377257909.db2.gz LCWAPIBRCIIOMP-LBPRGKRZSA-N 1 2 285.347 1.991 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cc(OC)c(O)c(OC)c1 ZINC000290137453 378363508 /nfs/dbraw/zinc/36/35/08/378363508.db2.gz VNGXOWPLJQQAEY-UHFFFAOYSA-N 1 2 259.305 1.478 20 30 CDEDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC1(C#N)CC1 ZINC000343323204 378465912 /nfs/dbraw/zinc/46/59/12/378465912.db2.gz IYPVKIIHCVPCQU-NSHDSACASA-N 1 2 293.392 1.631 20 30 CDEDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC1(C#N)CC1 ZINC000343323204 378465920 /nfs/dbraw/zinc/46/59/20/378465920.db2.gz IYPVKIIHCVPCQU-NSHDSACASA-N 1 2 293.392 1.631 20 30 CDEDLO C=CCOCCN1CC[NH+](Cc2ccco2)CC1 ZINC000293491238 378578855 /nfs/dbraw/zinc/57/88/55/378578855.db2.gz MZKRWEAKUREKKX-UHFFFAOYSA-N 1 2 250.342 1.600 20 30 CDEDLO C#CCCOc1ccc(C(=O)NCCn2cc[nH+]c2)cc1 ZINC000294273053 378626941 /nfs/dbraw/zinc/62/69/41/378626941.db2.gz AOJUJRFRCWSZOU-UHFFFAOYSA-N 1 2 283.331 1.715 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442819311 378770413 /nfs/dbraw/zinc/77/04/13/378770413.db2.gz ATKLILDYJKAQNQ-XHDPSFHLSA-N 1 2 295.383 1.068 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCCCC#N)C1 ZINC000343992722 379029794 /nfs/dbraw/zinc/02/97/94/379029794.db2.gz NMBRQVZCCDBSGN-LLVKDONJSA-N 1 2 261.329 1.223 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)Nc1ccc(CC#N)cc1 ZINC000344140483 379207577 /nfs/dbraw/zinc/20/75/77/379207577.db2.gz FWJCSKOTUSDHFW-UHFFFAOYSA-N 1 2 269.308 1.808 20 30 CDEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000042312967 379564352 /nfs/dbraw/zinc/56/43/52/379564352.db2.gz JEGVGZXCSULPSB-IUODEOHRSA-N 1 2 287.363 1.996 20 30 CDEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000042312967 379564361 /nfs/dbraw/zinc/56/43/61/379564361.db2.gz JEGVGZXCSULPSB-IUODEOHRSA-N 1 2 287.363 1.996 20 30 CDEDLO COC(=O)[C@H](CC(C)C)[NH+]1CCC(F)(C#N)CC1 ZINC000352467706 291736384 /nfs/dbraw/zinc/73/63/84/291736384.db2.gz MUWVJQRWKZZHTR-NSHDSACASA-N 1 2 256.321 1.902 20 30 CDEDLO C#C[C@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)C(C)(C)C ZINC000288449387 197081611 /nfs/dbraw/zinc/08/16/11/197081611.db2.gz FOTRTSCKDPEJMZ-NEPJUHHUSA-N 1 2 262.357 1.619 20 30 CDEDLO C[N@H+](CCOc1ccccc1C#N)Cc1nnc2n1CCC2 ZINC000531016747 269688829 /nfs/dbraw/zinc/68/88/29/269688829.db2.gz QIPHGLOZISLXDP-UHFFFAOYSA-N 1 2 297.362 1.607 20 30 CDEDLO C[N@@H+](CCOc1ccccc1C#N)Cc1nnc2n1CCC2 ZINC000531016747 269688830 /nfs/dbraw/zinc/68/88/30/269688830.db2.gz QIPHGLOZISLXDP-UHFFFAOYSA-N 1 2 297.362 1.607 20 30 CDEDLO CN(CC[NH+]1CCOCC1)c1cccc(C#N)c1[N+](=O)[O-] ZINC000450306981 251216902 /nfs/dbraw/zinc/21/69/02/251216902.db2.gz VTHZYMLAZFXAHK-UHFFFAOYSA-N 1 2 290.323 1.235 20 30 CDEDLO C=CCNC(=O)CN1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000281052667 195084367 /nfs/dbraw/zinc/08/43/67/195084367.db2.gz QZDVMLYZLKFHQT-CYBMUJFWSA-N 1 2 276.384 1.732 20 30 CDEDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1nn(C)cc1C#N ZINC000492495522 253232168 /nfs/dbraw/zinc/23/21/68/253232168.db2.gz XEEPODQTHWFSDM-PLNGDYQASA-N 1 2 270.296 1.160 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492860831 253311141 /nfs/dbraw/zinc/31/11/41/253311141.db2.gz IUNXJBIQNRIUIV-HYXAFXHYSA-N 1 2 268.276 1.942 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000192220390 533110534 /nfs/dbraw/zinc/11/05/34/533110534.db2.gz FQIRJQLLBMSRFX-VIFPVBQESA-N 1 2 251.717 1.627 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000192220390 533110535 /nfs/dbraw/zinc/11/05/35/533110535.db2.gz FQIRJQLLBMSRFX-VIFPVBQESA-N 1 2 251.717 1.627 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192220290 533112600 /nfs/dbraw/zinc/11/26/00/533112600.db2.gz JUZZEDRVDATINA-SNVBAGLBSA-N 1 2 261.281 1.487 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192220290 533112602 /nfs/dbraw/zinc/11/26/02/533112602.db2.gz JUZZEDRVDATINA-SNVBAGLBSA-N 1 2 261.281 1.487 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000192232586 533111265 /nfs/dbraw/zinc/11/12/65/533111265.db2.gz HBMCMEYRBFEOLK-NSHDSACASA-N 1 2 274.320 1.350 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000192232586 533111269 /nfs/dbraw/zinc/11/12/69/533111269.db2.gz HBMCMEYRBFEOLK-NSHDSACASA-N 1 2 274.320 1.350 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cccc3c2OCO3)C1=O ZINC000281322077 195196177 /nfs/dbraw/zinc/19/61/77/195196177.db2.gz RJLQJUBFXGYJLK-ZDUSSCGKSA-N 1 2 288.347 1.634 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cccc3c2OCO3)C1=O ZINC000281322077 195196178 /nfs/dbraw/zinc/19/61/78/195196178.db2.gz RJLQJUBFXGYJLK-ZDUSSCGKSA-N 1 2 288.347 1.634 20 30 CDEDLO Cc1cc(N2CC[S@@](=O)C(C)(C)CC2)c(C#N)c[nH+]1 ZINC000333328206 291941993 /nfs/dbraw/zinc/94/19/93/291941993.db2.gz VRNNKLSZHUXRSH-LJQANCHMSA-N 1 2 277.393 1.999 20 30 CDEDLO C=C(Br)C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000495291766 262275225 /nfs/dbraw/zinc/27/52/25/262275225.db2.gz LYLJHFKLBKCNEC-UHFFFAOYSA-N 1 2 275.146 1.469 20 30 CDEDLO CCNC(=O)C[N@H+](CC)Cc1ccc(C#N)cc1F ZINC000059694024 390204120 /nfs/dbraw/zinc/20/41/20/390204120.db2.gz ICEZVZSRHQTVEI-UHFFFAOYSA-N 1 2 263.316 1.655 20 30 CDEDLO CCNC(=O)C[N@@H+](CC)Cc1ccc(C#N)cc1F ZINC000059694024 390204125 /nfs/dbraw/zinc/20/41/25/390204125.db2.gz ICEZVZSRHQTVEI-UHFFFAOYSA-N 1 2 263.316 1.655 20 30 CDEDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCC#N ZINC000103481767 390478997 /nfs/dbraw/zinc/47/89/97/390478997.db2.gz FUPMYNXMZRMKEP-JTQLQIEISA-N 1 2 267.354 1.240 20 30 CDEDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CCC#N ZINC000103481767 390479000 /nfs/dbraw/zinc/47/90/00/390479000.db2.gz FUPMYNXMZRMKEP-JTQLQIEISA-N 1 2 267.354 1.240 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000042324396 390482022 /nfs/dbraw/zinc/48/20/22/390482022.db2.gz UVNQEMSWSKNBQT-OCCSQVGLSA-N 1 2 273.336 1.389 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000042324396 390482026 /nfs/dbraw/zinc/48/20/26/390482026.db2.gz UVNQEMSWSKNBQT-OCCSQVGLSA-N 1 2 273.336 1.389 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](CO)[C@H]2C)c(C#N)c1C ZINC000395190685 390823970 /nfs/dbraw/zinc/82/39/70/390823970.db2.gz IFHFYPLOJLHCBE-ZYHUDNBSSA-N 1 2 291.351 1.409 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](CO)[C@H]2C)c(C#N)c1C ZINC000395190685 390823971 /nfs/dbraw/zinc/82/39/71/390823971.db2.gz IFHFYPLOJLHCBE-ZYHUDNBSSA-N 1 2 291.351 1.409 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000364488904 390964837 /nfs/dbraw/zinc/96/48/37/390964837.db2.gz VSAREYOQMVFUHE-CQSZACIVSA-N 1 2 271.299 1.736 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000364488904 390964838 /nfs/dbraw/zinc/96/48/38/390964838.db2.gz VSAREYOQMVFUHE-CQSZACIVSA-N 1 2 271.299 1.736 20 30 CDEDLO O=C(N[C@H]1CCCNC1=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329446711 390989581 /nfs/dbraw/zinc/98/95/81/390989581.db2.gz OAAGVLFDBYKKQO-STQMWFEESA-N 1 2 295.383 1.705 20 30 CDEDLO O=C(N[C@H]1CCCNC1=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329446711 390989584 /nfs/dbraw/zinc/98/95/84/390989584.db2.gz OAAGVLFDBYKKQO-STQMWFEESA-N 1 2 295.383 1.705 20 30 CDEDLO CCOC1CC(N(C)C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000329511221 391001147 /nfs/dbraw/zinc/00/11/47/391001147.db2.gz BYCLLOVCRDMINA-PNESKVBLSA-N 1 2 292.383 1.611 20 30 CDEDLO CC1(C)CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1C#N ZINC000373084863 391105321 /nfs/dbraw/zinc/10/53/21/391105321.db2.gz VWGHXGOXQNRAIU-STQMWFEESA-N 1 2 286.379 1.986 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000352434681 391136230 /nfs/dbraw/zinc/13/62/30/391136230.db2.gz ZLEAJMVBTZAHIP-TZMCWYRMSA-N 1 2 254.374 1.426 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000352434681 391136234 /nfs/dbraw/zinc/13/62/34/391136234.db2.gz ZLEAJMVBTZAHIP-TZMCWYRMSA-N 1 2 254.374 1.426 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000334101125 391136506 /nfs/dbraw/zinc/13/65/06/391136506.db2.gz WIILUPHANWBSND-OCCSQVGLSA-N 1 2 290.367 1.642 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000334101125 391136509 /nfs/dbraw/zinc/13/65/09/391136509.db2.gz WIILUPHANWBSND-OCCSQVGLSA-N 1 2 290.367 1.642 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccccc1Cl ZINC000175583223 391136679 /nfs/dbraw/zinc/13/66/79/391136679.db2.gz LINWHJNQKOSSFL-LLVKDONJSA-N 1 2 268.744 1.925 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccccc1Cl ZINC000175583223 391136681 /nfs/dbraw/zinc/13/66/81/391136681.db2.gz LINWHJNQKOSSFL-LLVKDONJSA-N 1 2 268.744 1.925 20 30 CDEDLO CC(C)[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CCO1 ZINC000331834281 391216759 /nfs/dbraw/zinc/21/67/59/391216759.db2.gz JVSNPBROKCYQLU-ZFWWWQNUSA-N 1 2 279.384 1.152 20 30 CDEDLO CC(C)[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CCO1 ZINC000331834281 391216765 /nfs/dbraw/zinc/21/67/65/391216765.db2.gz JVSNPBROKCYQLU-ZFWWWQNUSA-N 1 2 279.384 1.152 20 30 CDEDLO C#CCCN1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000366908221 391277569 /nfs/dbraw/zinc/27/75/69/391277569.db2.gz ZCGOZNVFCMYEEZ-HNNXBMFYSA-N 1 2 282.347 1.139 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCCC[C@@H]1CO ZINC000049752368 391335961 /nfs/dbraw/zinc/33/59/61/391335961.db2.gz LZRQGHQSNCNMHQ-LLVKDONJSA-N 1 2 279.365 1.405 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCC[C@@H]1CO ZINC000049752368 391335964 /nfs/dbraw/zinc/33/59/64/391335964.db2.gz LZRQGHQSNCNMHQ-LLVKDONJSA-N 1 2 279.365 1.405 20 30 CDEDLO C[C@H](O)CN1CC[N@H+](Cc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000330420436 391419762 /nfs/dbraw/zinc/41/97/62/391419762.db2.gz XPBWOSXHSPTONT-GJZGRUSLSA-N 1 2 287.407 1.640 20 30 CDEDLO C[C@H](O)CN1CC[N@@H+](Cc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000330420436 391419764 /nfs/dbraw/zinc/41/97/64/391419764.db2.gz XPBWOSXHSPTONT-GJZGRUSLSA-N 1 2 287.407 1.640 20 30 CDEDLO CCC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CCO1 ZINC000330489895 391432112 /nfs/dbraw/zinc/43/21/12/391432112.db2.gz MRZHZNFQYQNDCD-SQWLQELKSA-N 1 2 295.427 1.930 20 30 CDEDLO CCC[C@@H]1C[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CCO1 ZINC000330489895 391432114 /nfs/dbraw/zinc/43/21/14/391432114.db2.gz MRZHZNFQYQNDCD-SQWLQELKSA-N 1 2 295.427 1.930 20 30 CDEDLO CN(CC(F)F)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000330579868 391450763 /nfs/dbraw/zinc/45/07/63/391450763.db2.gz IHMQUJHSLDRAEA-UHFFFAOYSA-N 1 2 286.326 1.873 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000355347331 391450993 /nfs/dbraw/zinc/45/09/93/391450993.db2.gz MLUFPIOKJPQTRN-WFASDCNBSA-N 1 2 277.368 1.512 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCCN(CC)C(=O)C1 ZINC000190195318 391626305 /nfs/dbraw/zinc/62/63/05/391626305.db2.gz WRUMIKHDZMRBHE-AWEZNQCLSA-N 1 2 295.427 1.354 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCCN(CC)C(=O)C1 ZINC000190195318 391626310 /nfs/dbraw/zinc/62/63/10/391626310.db2.gz WRUMIKHDZMRBHE-AWEZNQCLSA-N 1 2 295.427 1.354 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000358970566 391571319 /nfs/dbraw/zinc/57/13/19/391571319.db2.gz DKGIYLIKIWKEOK-OLZOCXBDSA-N 1 2 269.389 1.361 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000358970566 391571322 /nfs/dbraw/zinc/57/13/22/391571322.db2.gz DKGIYLIKIWKEOK-OLZOCXBDSA-N 1 2 269.389 1.361 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccnn2CC(C)C)C1=O ZINC000648030583 391639564 /nfs/dbraw/zinc/63/95/64/391639564.db2.gz GXUCZFIXWWWEFE-HNNXBMFYSA-N 1 2 290.411 1.758 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccnn2CC(C)C)C1=O ZINC000648030583 391639568 /nfs/dbraw/zinc/63/95/68/391639568.db2.gz GXUCZFIXWWWEFE-HNNXBMFYSA-N 1 2 290.411 1.758 20 30 CDEDLO C=CC[C@H](CO)CNc1nc(C)[nH+]c2c1CCCC2 ZINC000359730820 391613798 /nfs/dbraw/zinc/61/37/98/391613798.db2.gz PXDYQUDOCBMFLO-LBPRGKRZSA-N 1 2 261.369 1.682 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000280932095 391654414 /nfs/dbraw/zinc/65/44/14/391654414.db2.gz KNTVJIPHDTWTQN-CYBMUJFWSA-N 1 2 264.373 1.447 20 30 CDEDLO CC[C@]1(C)C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CCO1 ZINC000135616800 391731859 /nfs/dbraw/zinc/73/18/59/391731859.db2.gz AHYBGMNFNSJLJD-CABCVRRESA-N 1 2 279.384 1.296 20 30 CDEDLO CC[C@]1(C)C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CCO1 ZINC000135616800 391731862 /nfs/dbraw/zinc/73/18/62/391731862.db2.gz AHYBGMNFNSJLJD-CABCVRRESA-N 1 2 279.384 1.296 20 30 CDEDLO CCOC[C@@H](O)C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341822055 130057849 /nfs/dbraw/zinc/05/78/49/130057849.db2.gz WTWHNJJLTBRRFF-JKSUJKDBSA-N 1 2 290.363 1.329 20 30 CDEDLO CCOC[C@@H](O)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341822055 130057850 /nfs/dbraw/zinc/05/78/50/130057850.db2.gz WTWHNJJLTBRRFF-JKSUJKDBSA-N 1 2 290.363 1.329 20 30 CDEDLO N#Cc1nccnc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000263913154 131359055 /nfs/dbraw/zinc/35/90/55/131359055.db2.gz SLKFHWIKZCNQKD-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO CC(C)[N@H+](CC(N)=O)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075611729 392821008 /nfs/dbraw/zinc/82/10/08/392821008.db2.gz SHISVUATCBSYGG-UHFFFAOYSA-N 1 2 299.334 1.304 20 30 CDEDLO CC(C)[N@@H+](CC(N)=O)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075611729 392821013 /nfs/dbraw/zinc/82/10/13/392821013.db2.gz SHISVUATCBSYGG-UHFFFAOYSA-N 1 2 299.334 1.304 20 30 CDEDLO Cc1cc(N2CCC[C@H](c3nncn3C)C2)c(C#N)c[nH+]1 ZINC000519763039 392846899 /nfs/dbraw/zinc/84/68/99/392846899.db2.gz FPVHNBLCLAZMPY-LBPRGKRZSA-N 1 2 282.351 1.774 20 30 CDEDLO Cc1cc(CNC(=O)c2cnn(C)c2C#N)cc(C)[nH+]1 ZINC000421581956 392938803 /nfs/dbraw/zinc/93/88/03/392938803.db2.gz ZUWIHVNOWREECV-UHFFFAOYSA-N 1 2 269.308 1.234 20 30 CDEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)CCO1 ZINC000529666413 393043576 /nfs/dbraw/zinc/04/35/76/393043576.db2.gz LBBRFAZRDGFXOR-HNNXBMFYSA-N 1 2 290.363 1.804 20 30 CDEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)CCO1 ZINC000529666413 393043582 /nfs/dbraw/zinc/04/35/82/393043582.db2.gz LBBRFAZRDGFXOR-HNNXBMFYSA-N 1 2 290.363 1.804 20 30 CDEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCCOCC2)cc1 ZINC000332195806 393151280 /nfs/dbraw/zinc/15/12/80/393151280.db2.gz APVDAHPZEFCDAD-CYBMUJFWSA-N 1 2 259.309 1.857 20 30 CDEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCCOCC2)cc1 ZINC000332195806 393151294 /nfs/dbraw/zinc/15/12/94/393151294.db2.gz APVDAHPZEFCDAD-CYBMUJFWSA-N 1 2 259.309 1.857 20 30 CDEDLO C=CCCC(C)(C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000664080529 413067267 /nfs/dbraw/zinc/06/72/67/413067267.db2.gz SVJPLKPHOHJVCY-ZDUSSCGKSA-N 1 2 282.432 1.276 20 30 CDEDLO C=CCCC(C)(C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000664080529 413067275 /nfs/dbraw/zinc/06/72/75/413067275.db2.gz SVJPLKPHOHJVCY-ZDUSSCGKSA-N 1 2 282.432 1.276 20 30 CDEDLO C=CCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000660448652 413132400 /nfs/dbraw/zinc/13/24/00/413132400.db2.gz VBAJCRUPCNKOEQ-AWEZNQCLSA-N 1 2 299.440 1.070 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)s1 ZINC000180565400 148155919 /nfs/dbraw/zinc/15/59/19/148155919.db2.gz GYESAHMAXVBUTF-UONOGXRCSA-N 1 2 278.377 2.000 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)s1 ZINC000180565400 148155925 /nfs/dbraw/zinc/15/59/25/148155925.db2.gz GYESAHMAXVBUTF-UONOGXRCSA-N 1 2 278.377 2.000 20 30 CDEDLO Cc1cccn2cc(CNC(=O)c3ccnc(C#N)c3)[nH+]c12 ZINC000193193290 148614371 /nfs/dbraw/zinc/61/43/71/148614371.db2.gz DJACBAIXMZAKTE-UHFFFAOYSA-N 1 2 291.314 1.839 20 30 CDEDLO CO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000267838501 286061483 /nfs/dbraw/zinc/06/14/83/286061483.db2.gz TWLDDIVVOGUTTA-JQWIXIFHSA-N 1 2 291.351 1.816 20 30 CDEDLO CO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000267838501 286061484 /nfs/dbraw/zinc/06/14/84/286061484.db2.gz TWLDDIVVOGUTTA-JQWIXIFHSA-N 1 2 291.351 1.816 20 30 CDEDLO N#Cc1cc(C[N@H+]2CC[C@@](F)(CO)C2)ccc1F ZINC000335059052 150241092 /nfs/dbraw/zinc/24/10/92/150241092.db2.gz FIQRVBAKJXPHGQ-ZDUSSCGKSA-N 1 2 252.264 1.604 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CC[C@@](F)(CO)C2)ccc1F ZINC000335059052 150241093 /nfs/dbraw/zinc/24/10/93/150241093.db2.gz FIQRVBAKJXPHGQ-ZDUSSCGKSA-N 1 2 252.264 1.604 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)c1c(F)cc(C#N)cc1F ZINC000335918492 151112778 /nfs/dbraw/zinc/11/27/78/151112778.db2.gz IROXTCFQELOJGE-UHFFFAOYSA-N 1 2 276.246 1.500 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)c1ccc(F)c(C#N)c1 ZINC000336040608 151218895 /nfs/dbraw/zinc/21/88/95/151218895.db2.gz MANCDJOFZBDIQU-UHFFFAOYSA-N 1 2 258.256 1.361 20 30 CDEDLO C[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H](C)S1=O ZINC000336088554 151258658 /nfs/dbraw/zinc/25/86/58/151258658.db2.gz MUIDYJYOXYNQGY-VXGBXAGGSA-N 1 2 262.378 1.900 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNc1ccc(C#N)cc1F ZINC000352648900 155323727 /nfs/dbraw/zinc/32/37/27/155323727.db2.gz XWVMDWKPCUCTRL-NSHDSACASA-N 1 2 263.316 1.830 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNc1ccc(C#N)cc1F ZINC000352648900 155323731 /nfs/dbraw/zinc/32/37/31/155323731.db2.gz XWVMDWKPCUCTRL-NSHDSACASA-N 1 2 263.316 1.830 20 30 CDEDLO CCNC(=O)CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000374347972 160276540 /nfs/dbraw/zinc/27/65/40/160276540.db2.gz DRBVXTHVTDZKTG-OAHLLOKOSA-N 1 2 287.363 1.458 20 30 CDEDLO CCNC(=O)CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000374347972 160276542 /nfs/dbraw/zinc/27/65/42/160276542.db2.gz DRBVXTHVTDZKTG-OAHLLOKOSA-N 1 2 287.363 1.458 20 30 CDEDLO C=CCCCCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000664699147 413598561 /nfs/dbraw/zinc/59/85/61/413598561.db2.gz RHTNGOODYNYNIG-KBPBESRZSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CCCCCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000664699147 413598570 /nfs/dbraw/zinc/59/85/70/413598570.db2.gz RHTNGOODYNYNIG-KBPBESRZSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660992472 413712941 /nfs/dbraw/zinc/71/29/41/413712941.db2.gz RYCWUCGQHBIHAP-HUUCEWRRSA-N 1 2 295.427 1.847 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1c(F)cncc1F ZINC000285518134 196312546 /nfs/dbraw/zinc/31/25/46/196312546.db2.gz DSWYHYBMGBZNHC-DTWKUNHWSA-N 1 2 269.295 1.701 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2ccc(N(C)C)nc2)nn1 ZINC000657306315 414148376 /nfs/dbraw/zinc/14/83/76/414148376.db2.gz GHEGAJPVFGKCAC-UHFFFAOYSA-N 1 2 286.383 1.605 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@@H](C)c1nc(-c2cccnc2)no1 ZINC000662165393 414545419 /nfs/dbraw/zinc/54/54/19/414545419.db2.gz DURNEMNSBDSWJG-GXSJLCMTSA-N 1 2 260.297 1.329 20 30 CDEDLO Cc1nnc(NC[C@@H](C)[NH+]2CCOCC2)c(C#N)c1C ZINC000044913920 175276366 /nfs/dbraw/zinc/27/63/66/175276366.db2.gz OSGAEFSYBMIIIC-SNVBAGLBSA-N 1 2 275.356 1.098 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)C[C@@H](C2CC2)O1 ZINC000329971612 228003177 /nfs/dbraw/zinc/00/31/77/228003177.db2.gz XTQYZXUBOGEZFK-SKDRFNHKSA-N 1 2 281.356 1.519 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@@H](C2CC2)O1 ZINC000329971612 228003180 /nfs/dbraw/zinc/00/31/80/228003180.db2.gz XTQYZXUBOGEZFK-SKDRFNHKSA-N 1 2 281.356 1.519 20 30 CDEDLO [O-]C(N[C@H]1CCCSC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330202380 228064413 /nfs/dbraw/zinc/06/44/13/228064413.db2.gz ZFGVWRVKZNOSKI-MNOVXSKESA-N 1 2 280.397 1.597 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@H]1CCCSC1 ZINC000330202380 228064415 /nfs/dbraw/zinc/06/44/15/228064415.db2.gz ZFGVWRVKZNOSKI-MNOVXSKESA-N 1 2 280.397 1.597 20 30 CDEDLO Cc1cnccc1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330259809 228084036 /nfs/dbraw/zinc/08/40/36/228084036.db2.gz SGNREGMTSLFWHJ-NSHDSACASA-N 1 2 271.324 1.349 20 30 CDEDLO CC[C@]1(C)COCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000408019038 260172509 /nfs/dbraw/zinc/17/25/09/260172509.db2.gz WQVYZKWKFHBHQJ-OAHLLOKOSA-N 1 2 293.411 1.830 20 30 CDEDLO CC[C@]1(C)COCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000408019038 260172511 /nfs/dbraw/zinc/17/25/11/260172511.db2.gz WQVYZKWKFHBHQJ-OAHLLOKOSA-N 1 2 293.411 1.830 20 30 CDEDLO C[C@@H](C#N)S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000088474955 260232804 /nfs/dbraw/zinc/23/28/04/260232804.db2.gz JJCMAKLXBUEXJV-ZDUSSCGKSA-N 1 2 293.392 1.046 20 30 CDEDLO Cc1cnc(CN(CCC#N)CC[NH+]2CCOCC2)o1 ZINC000081157978 260331099 /nfs/dbraw/zinc/33/10/99/260331099.db2.gz NESZCLDMFNRIAV-UHFFFAOYSA-N 1 2 278.356 1.031 20 30 CDEDLO CC(C)(CC#N)CNc1nc(N)c2ccccc2[nH+]1 ZINC000518337612 260379773 /nfs/dbraw/zinc/37/97/73/260379773.db2.gz ZZWBFYWZQGPFRJ-UHFFFAOYSA-N 1 2 255.325 1.816 20 30 CDEDLO COc1ccc(CO[NH+]=C(N)C(C)(C)NC(C)=O)cc1F ZINC000112335738 260661216 /nfs/dbraw/zinc/66/12/16/260661216.db2.gz FLUSIGAKTSOGDE-UHFFFAOYSA-N 1 2 297.330 1.538 20 30 CDEDLO C#CCCCCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000155994393 260776189 /nfs/dbraw/zinc/77/61/89/260776189.db2.gz GHOBQCJMQUFPLZ-UHFFFAOYSA-N 1 2 268.320 1.801 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159587490 260920205 /nfs/dbraw/zinc/92/02/05/260920205.db2.gz FGIPMSIFMLRIIQ-RDTXWAMCSA-N 1 2 298.386 1.298 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159587490 260920207 /nfs/dbraw/zinc/92/02/07/260920207.db2.gz FGIPMSIFMLRIIQ-RDTXWAMCSA-N 1 2 298.386 1.298 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000192235840 260954135 /nfs/dbraw/zinc/95/41/35/260954135.db2.gz FOJZEJFWXJDODI-OAHLLOKOSA-N 1 2 290.338 1.291 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000192235840 260954137 /nfs/dbraw/zinc/95/41/37/260954137.db2.gz FOJZEJFWXJDODI-OAHLLOKOSA-N 1 2 290.338 1.291 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H](C)[C@@H]1CCCOC1)C(=O)OC ZINC000361114329 261162494 /nfs/dbraw/zinc/16/24/94/261162494.db2.gz RPXZISHHFATDHH-UPJWGTAASA-N 1 2 271.357 1.135 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cccc(C(=O)OC)n1 ZINC000491811164 262085101 /nfs/dbraw/zinc/08/51/01/262085101.db2.gz AYBIUGZKVXIJSL-UHFFFAOYSA-N 1 2 256.305 1.327 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cccc(C(=O)OC)n1 ZINC000491811164 262085103 /nfs/dbraw/zinc/08/51/03/262085103.db2.gz AYBIUGZKVXIJSL-UHFFFAOYSA-N 1 2 256.305 1.327 20 30 CDEDLO C=CC[N@@H+](C)CN1C[C@@H](CNC(=O)OC(C)(C)C)CC1=O ZINC000497196746 262099661 /nfs/dbraw/zinc/09/96/61/262099661.db2.gz ODVDIHDZTJEPHR-GFCCVEGCSA-N 1 2 297.399 1.435 20 30 CDEDLO C=CC[N@H+](C)CN1C[C@@H](CNC(=O)OC(C)(C)C)CC1=O ZINC000497196746 262099664 /nfs/dbraw/zinc/09/96/64/262099664.db2.gz ODVDIHDZTJEPHR-GFCCVEGCSA-N 1 2 297.399 1.435 20 30 CDEDLO NC(COc1ccccc1)=[NH+]OCCOCC(F)F ZINC000189211609 262169225 /nfs/dbraw/zinc/16/92/25/262169225.db2.gz ZBRGWLKHYUXFCG-UHFFFAOYSA-N 1 2 274.267 1.636 20 30 CDEDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)s1 ZINC000273606411 263018278 /nfs/dbraw/zinc/01/82/78/263018278.db2.gz MOSOPHGCYSDTTF-RNCFNFMXSA-N 1 2 295.412 1.552 20 30 CDEDLO CC(C)(C#N)CC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000279275203 263054351 /nfs/dbraw/zinc/05/43/51/263054351.db2.gz NVEGJNMMLWHKNU-UHFFFAOYSA-N 1 2 286.379 1.666 20 30 CDEDLO COc1cc(C[NH+]2CCN(CC#N)CC2)cc(OC)c1O ZINC000283873943 263084626 /nfs/dbraw/zinc/08/46/26/263084626.db2.gz FFKKGASWPUNCDR-UHFFFAOYSA-N 1 2 291.351 1.051 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000285105446 263090239 /nfs/dbraw/zinc/09/02/39/263090239.db2.gz UJIMOFDPRLFZLQ-AWEZNQCLSA-N 1 2 256.309 1.890 20 30 CDEDLO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCNC1=O ZINC000340224856 263097635 /nfs/dbraw/zinc/09/76/35/263097635.db2.gz GOVOCEHOFSPYAO-CYBMUJFWSA-N 1 2 296.292 1.877 20 30 CDEDLO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCNC1=O ZINC000340224856 263097636 /nfs/dbraw/zinc/09/76/36/263097636.db2.gz GOVOCEHOFSPYAO-CYBMUJFWSA-N 1 2 296.292 1.877 20 30 CDEDLO COc1cccc(/C=[NH+]/C[C@@H]2CCCS(=O)(=O)C2)c1O ZINC000287198121 263101180 /nfs/dbraw/zinc/10/11/80/263101180.db2.gz LOTLANYQUQAWPV-ZRRZQRFHSA-N 1 2 297.376 1.645 20 30 CDEDLO COc1cc[nH+]cc1COC(=O)CSCC#N ZINC000288614309 263105053 /nfs/dbraw/zinc/10/50/53/263105053.db2.gz IYVHLHQJFOPVDP-UHFFFAOYSA-N 1 2 252.295 1.390 20 30 CDEDLO CN(C)C(=O)CO[NH+]=C(N)c1cccc(C(F)(F)F)c1 ZINC000289353028 263109559 /nfs/dbraw/zinc/10/95/59/263109559.db2.gz HOFOMFPQXQYCJM-UHFFFAOYSA-N 1 2 289.257 1.431 20 30 CDEDLO N#C[C@@H]1C[N@@H+]([C@@H]2CCCCNC2=O)C[C@H]1c1ccccc1 ZINC000292293691 263130653 /nfs/dbraw/zinc/13/06/53/263130653.db2.gz CQJRBSNWFXZVOE-OWCLPIDISA-N 1 2 283.375 1.894 20 30 CDEDLO N#C[C@@H]1C[N@H+]([C@@H]2CCCCNC2=O)C[C@H]1c1ccccc1 ZINC000292293691 263130654 /nfs/dbraw/zinc/13/06/54/263130654.db2.gz CQJRBSNWFXZVOE-OWCLPIDISA-N 1 2 283.375 1.894 20 30 CDEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)c1ccc(C#N)cc1 ZINC000292316729 263130940 /nfs/dbraw/zinc/13/09/40/263130940.db2.gz VQMGFWSIUNPVTI-OAHLLOKOSA-N 1 2 255.321 1.993 20 30 CDEDLO C=CC[N@H+](CCC#N)C[C@@H](O)c1ccc(C#N)cc1 ZINC000292316729 263130941 /nfs/dbraw/zinc/13/09/41/263130941.db2.gz VQMGFWSIUNPVTI-OAHLLOKOSA-N 1 2 255.321 1.993 20 30 CDEDLO CCc1nocc1C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000293516383 263142247 /nfs/dbraw/zinc/14/22/47/263142247.db2.gz VOHMVSRRKHMJMD-NSHDSACASA-N 1 2 278.356 1.429 20 30 CDEDLO CCc1nocc1C[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000293516383 263142249 /nfs/dbraw/zinc/14/22/49/263142249.db2.gz VOHMVSRRKHMJMD-NSHDSACASA-N 1 2 278.356 1.429 20 30 CDEDLO C[C@H](C(=O)NCc1ccccc1)[N@@H+](C)C[C@H](C)C#N ZINC000299154628 263231654 /nfs/dbraw/zinc/23/16/54/263231654.db2.gz HHEZWYNPFPAGGI-CHWSQXEVSA-N 1 2 259.353 1.783 20 30 CDEDLO C[C@H](C(=O)NCc1ccccc1)[N@H+](C)C[C@H](C)C#N ZINC000299154628 263231656 /nfs/dbraw/zinc/23/16/56/263231656.db2.gz HHEZWYNPFPAGGI-CHWSQXEVSA-N 1 2 259.353 1.783 20 30 CDEDLO C=CC[N@H+](CC(=O)N1CCNC1=O)Cc1ccccc1F ZINC000120580908 263287685 /nfs/dbraw/zinc/28/76/85/263287685.db2.gz NMGQSTSGQMYGPZ-UHFFFAOYSA-N 1 2 291.326 1.366 20 30 CDEDLO C=CC[N@@H+](CC(=O)N1CCNC1=O)Cc1ccccc1F ZINC000120580908 263287686 /nfs/dbraw/zinc/28/76/86/263287686.db2.gz NMGQSTSGQMYGPZ-UHFFFAOYSA-N 1 2 291.326 1.366 20 30 CDEDLO COCC1(C#N)CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000341977101 263368669 /nfs/dbraw/zinc/36/86/69/263368669.db2.gz MCBMJZKDVFKCLV-UHFFFAOYSA-N 1 2 268.357 1.580 20 30 CDEDLO CCc1cc(=O)[nH]c(C[NH+]2CCC(C#N)(COC)CC2)n1 ZINC000341988829 263381042 /nfs/dbraw/zinc/38/10/42/263381042.db2.gz KAXKJVHFDCGLRQ-UHFFFAOYSA-N 1 2 290.367 1.497 20 30 CDEDLO C=C1CC[NH+](CC(=O)NC[C@H]2Cc3ccccc3O2)CC1 ZINC000341990985 263382240 /nfs/dbraw/zinc/38/22/40/263382240.db2.gz DVLPRIRBGNEVCP-OAHLLOKOSA-N 1 2 286.375 1.758 20 30 CDEDLO CCc1nnc([C@H](C)[N@H+](C)CCNC(=O)N(C)C)o1 ZINC000330705460 264019510 /nfs/dbraw/zinc/01/95/10/264019510.db2.gz SDSBZFQQYPVOIE-VIFPVBQESA-N 1 2 269.349 1.100 20 30 CDEDLO CCc1nnc([C@H](C)[N@@H+](C)CCNC(=O)N(C)C)o1 ZINC000330705460 264019512 /nfs/dbraw/zinc/01/95/12/264019512.db2.gz SDSBZFQQYPVOIE-VIFPVBQESA-N 1 2 269.349 1.100 20 30 CDEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)Nc1nccs1 ZINC000330833137 264050260 /nfs/dbraw/zinc/05/02/60/264050260.db2.gz KNWIPUVMIHQKIP-GUBZILKMSA-N 1 2 264.354 1.752 20 30 CDEDLO Cc1[nH]ncc1CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000330862085 264056342 /nfs/dbraw/zinc/05/63/42/264056342.db2.gz VOZNHUXTVHAKDB-CYBMUJFWSA-N 1 2 293.415 1.842 20 30 CDEDLO Cc1[nH]ncc1CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000330862085 264056344 /nfs/dbraw/zinc/05/63/44/264056344.db2.gz VOZNHUXTVHAKDB-CYBMUJFWSA-N 1 2 293.415 1.842 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)NCCC(F)(F)F)[NH+]1CCOCC1 ZINC000330941558 264083334 /nfs/dbraw/zinc/08/33/34/264083334.db2.gz YQXXREPAVBVSSQ-VHSXEESVSA-N 1 2 297.321 1.552 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000331058667 264109570 /nfs/dbraw/zinc/10/95/70/264109570.db2.gz ROLBXKNPBAVFTL-UKRRQHHQSA-N 1 2 293.411 1.638 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000331058667 264109573 /nfs/dbraw/zinc/10/95/73/264109573.db2.gz ROLBXKNPBAVFTL-UKRRQHHQSA-N 1 2 293.411 1.638 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cn(C(C)(C)C)nn1 ZINC000331091122 264133970 /nfs/dbraw/zinc/13/39/70/264133970.db2.gz WCTGHOMPQJQKOK-UHFFFAOYSA-N 1 2 262.317 1.569 20 30 CDEDLO CC[C@]1(C)C[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CCO1 ZINC000331275118 264170221 /nfs/dbraw/zinc/17/02/21/264170221.db2.gz NKRZGRHWXOXSPT-NUEKZKHPSA-N 1 2 295.427 1.930 20 30 CDEDLO CC[C@]1(C)C[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CCO1 ZINC000331275118 264170223 /nfs/dbraw/zinc/17/02/23/264170223.db2.gz NKRZGRHWXOXSPT-NUEKZKHPSA-N 1 2 295.427 1.930 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000652997920 424092743 /nfs/dbraw/zinc/09/27/43/424092743.db2.gz SFOHWHCYLAYRAJ-UHFFFAOYSA-N 1 2 284.400 1.006 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cc2c(c(OC)c1)OCO2 ZINC000093461332 265180281 /nfs/dbraw/zinc/18/02/81/265180281.db2.gz KOACCBNMEWXSQU-UHFFFAOYSA-N 1 2 257.289 1.492 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000362798578 267047087 /nfs/dbraw/zinc/04/70/87/267047087.db2.gz QZVRWHGAYUVUHF-HIFRSBDPSA-N 1 2 289.379 1.745 20 30 CDEDLO N#Cc1cc(NCCc2cn3ccccc3[nH+]2)ncn1 ZINC000525892482 268172217 /nfs/dbraw/zinc/17/22/17/268172217.db2.gz BKKXBNMRURZIDW-UHFFFAOYSA-N 1 2 264.292 1.072 20 30 CDEDLO C#CC[NH+]1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000302003353 276784250 /nfs/dbraw/zinc/78/42/50/276784250.db2.gz UBTFBAGTWMHRRB-UHFFFAOYSA-N 1 2 251.311 1.412 20 30 CDEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1ccc(C#N)o1 ZINC000356812490 278100702 /nfs/dbraw/zinc/10/07/02/278100702.db2.gz PPFTVCVWGVKHBH-DGCLKSJQSA-N 1 2 289.335 1.086 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H](C(N)=O)C1 ZINC000248912787 280393742 /nfs/dbraw/zinc/39/37/42/280393742.db2.gz YSPQIACRHZWGEH-QMTHXVAHSA-N 1 2 275.327 1.783 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H](C(N)=O)C1 ZINC000248912787 280393743 /nfs/dbraw/zinc/39/37/43/280393743.db2.gz YSPQIACRHZWGEH-QMTHXVAHSA-N 1 2 275.327 1.783 20 30 CDEDLO CC1(C)CN(CC#CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC000351610155 281230188 /nfs/dbraw/zinc/23/01/88/281230188.db2.gz VFHSCBCIZBTDJL-UHFFFAOYSA-N 1 2 280.412 1.211 20 30 CDEDLO CC1(C)CN(CC#CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC000351610155 281230191 /nfs/dbraw/zinc/23/01/91/281230191.db2.gz VFHSCBCIZBTDJL-UHFFFAOYSA-N 1 2 280.412 1.211 20 30 CDEDLO CC[C@@H](C)[C@@H](C)C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N ZINC000540944910 289472639 /nfs/dbraw/zinc/47/26/39/289472639.db2.gz SQPMWGYRPMVKTF-GHMZBOCLSA-N 1 2 291.399 1.476 20 30 CDEDLO Cc1cc(N[C@H]2CCCN(c3ccnn3C)C2)c(C#N)c[nH+]1 ZINC000568503588 294047164 /nfs/dbraw/zinc/04/71/64/294047164.db2.gz RKSAZNIAVQRIBZ-AWEZNQCLSA-N 1 2 296.378 1.498 20 30 CDEDLO COc1cc(C[NH+]2CCN(C(=O)C3CC3)CC2)ccc1C#N ZINC000569071215 294149967 /nfs/dbraw/zinc/14/99/67/294149967.db2.gz YWCUBONMYNQZKL-UHFFFAOYSA-N 1 2 299.374 1.621 20 30 CDEDLO N#Cc1cncnc1NCCc1cn2ccccc2[nH+]1 ZINC000569289149 294183505 /nfs/dbraw/zinc/18/35/05/294183505.db2.gz LNEPMPNFMOIXRK-UHFFFAOYSA-N 1 2 264.292 1.072 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c1 ZINC000045096993 303192098 /nfs/dbraw/zinc/19/20/98/303192098.db2.gz JJJMUUNLZGNAOJ-OAHLLOKOSA-N 1 2 287.338 1.940 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)c1 ZINC000045096993 303192100 /nfs/dbraw/zinc/19/21/00/303192100.db2.gz JJJMUUNLZGNAOJ-OAHLLOKOSA-N 1 2 287.338 1.940 20 30 CDEDLO Cc1[nH+]c(C(C)C)ccc1Cn1cnc(C#N)cc1=O ZINC000576465524 317143695 /nfs/dbraw/zinc/14/36/95/317143695.db2.gz FVJLCMLLHNOZAR-UHFFFAOYSA-N 1 2 268.320 1.990 20 30 CDEDLO NC(=[NH+]OCc1nncn1-c1ccccc1)[C@@H]1CCCO1 ZINC000284451250 328245883 /nfs/dbraw/zinc/24/58/83/328245883.db2.gz QAHUIIDHLFZWCW-LBPRGKRZSA-N 1 2 287.323 1.235 20 30 CDEDLO NC(=[NH+]OCc1ccn(C2CCCC2)n1)[C@H]1CCCO1 ZINC000284434642 328245923 /nfs/dbraw/zinc/24/59/23/328245923.db2.gz OZHMMNCMRPEZIS-CYBMUJFWSA-N 1 2 278.356 1.966 20 30 CDEDLO CC(C)[C@@H](NS(=O)(=O)CC(C)(C)CC#N)c1[nH]cc[nH+]1 ZINC000295855292 328287465 /nfs/dbraw/zinc/28/74/65/328287465.db2.gz DWKLGIYESLGMAB-LLVKDONJSA-N 1 2 298.412 1.966 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](CCOC)Cc1ccco1 ZINC000298788297 328297421 /nfs/dbraw/zinc/29/74/21/328297421.db2.gz ZNTHZBXFLSHLBM-UHFFFAOYSA-N 1 2 293.367 1.490 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](CCOC)Cc1ccco1 ZINC000298788297 328297422 /nfs/dbraw/zinc/29/74/22/328297422.db2.gz ZNTHZBXFLSHLBM-UHFFFAOYSA-N 1 2 293.367 1.490 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000335142977 328570225 /nfs/dbraw/zinc/57/02/25/328570225.db2.gz RSHOXNIGKOXNQY-UONOGXRCSA-N 1 2 280.412 1.910 20 30 CDEDLO COc1cccc([C@@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000583503177 328586097 /nfs/dbraw/zinc/58/60/97/328586097.db2.gz SELHBZYKVLVIBX-MLGOLLRUSA-N 1 2 289.379 1.759 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(F)ccc1F ZINC000558899916 327129985 /nfs/dbraw/zinc/12/99/85/327129985.db2.gz YPLNFXRUGRUDTF-CYBMUJFWSA-N 1 2 267.279 1.538 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)Nc1cc(CC#N)ccn1 ZINC000583043422 329303098 /nfs/dbraw/zinc/30/30/98/329303098.db2.gz BEJOMFFUOKHCNU-UHFFFAOYSA-N 1 2 255.281 1.062 20 30 CDEDLO Cc1cc(CNC(=O)N(C)C[C@H](C)C#N)cc(C)[nH+]1 ZINC000422211758 330132655 /nfs/dbraw/zinc/13/26/55/330132655.db2.gz QDVZOWWNEZJLNC-SNVBAGLBSA-N 1 2 260.341 2.000 20 30 CDEDLO C[C@H]1C(=O)CC[C@H]1CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000527245684 330241683 /nfs/dbraw/zinc/24/16/83/330241683.db2.gz KZPUWEYVIFDHHW-NEPJUHHUSA-N 1 2 277.368 1.096 20 30 CDEDLO Cc1c(F)cccc1NC(=O)CC[NH+]1CC(O)(CC#N)C1 ZINC000424137882 330274955 /nfs/dbraw/zinc/27/49/55/330274955.db2.gz PNARRKMLMRQKPU-UHFFFAOYSA-N 1 2 291.326 1.423 20 30 CDEDLO C[C@@H](c1ccccc1)[C@H](O)C[NH+]1CC(O)(CC#N)C1 ZINC000424144380 330289846 /nfs/dbraw/zinc/28/98/46/330289846.db2.gz XKEMTBWJCANLPL-GXTWGEPZSA-N 1 2 260.337 1.111 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccccc2C(=O)N(C)C)nn1 ZINC000424170710 330310826 /nfs/dbraw/zinc/31/08/26/330310826.db2.gz KDHPCALGJGSAGM-UHFFFAOYSA-N 1 2 299.378 1.456 20 30 CDEDLO C=CCn1cc(C[NH2+][C@H](CC)c2ccn(C)n2)nn1 ZINC000424300659 330337148 /nfs/dbraw/zinc/33/71/48/330337148.db2.gz YJNIYRMHIBGTDC-GFCCVEGCSA-N 1 2 260.345 1.439 20 30 CDEDLO C=CCCC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000457034625 331210613 /nfs/dbraw/zinc/21/06/13/331210613.db2.gz YBKYNPFJABEOCK-UHFFFAOYSA-N 1 2 292.379 1.907 20 30 CDEDLO CC(C)(CC#N)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000457990380 331239267 /nfs/dbraw/zinc/23/92/67/331239267.db2.gz HBTBWFRTRHEVHV-CQSZACIVSA-N 1 2 293.411 1.686 20 30 CDEDLO CC(C)(CC#N)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000457990380 331239268 /nfs/dbraw/zinc/23/92/68/331239268.db2.gz HBTBWFRTRHEVHV-CQSZACIVSA-N 1 2 293.411 1.686 20 30 CDEDLO C=C(C)CCNC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000458990470 331264560 /nfs/dbraw/zinc/26/45/60/331264560.db2.gz BRLRNQQOFPDDAA-ZDUSSCGKSA-N 1 2 269.389 1.363 20 30 CDEDLO C=C(C)CCNC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000458990470 331264561 /nfs/dbraw/zinc/26/45/61/331264561.db2.gz BRLRNQQOFPDDAA-ZDUSSCGKSA-N 1 2 269.389 1.363 20 30 CDEDLO C=C(CC)CNC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000459096621 331270201 /nfs/dbraw/zinc/27/02/01/331270201.db2.gz PVTOZTCJXZRADA-CYBMUJFWSA-N 1 2 269.389 1.363 20 30 CDEDLO C=C(CC)CNC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000459096621 331270202 /nfs/dbraw/zinc/27/02/02/331270202.db2.gz PVTOZTCJXZRADA-CYBMUJFWSA-N 1 2 269.389 1.363 20 30 CDEDLO N#CCCCC(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000488579259 332018856 /nfs/dbraw/zinc/01/88/56/332018856.db2.gz HQVKZEAQRCGRQF-ZDUSSCGKSA-N 1 2 258.325 1.248 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000490655922 332100390 /nfs/dbraw/zinc/10/03/90/332100390.db2.gz DZFSQGWPCWCPLU-GHMZBOCLSA-N 1 2 292.301 1.168 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000490655922 332100391 /nfs/dbraw/zinc/10/03/91/332100391.db2.gz DZFSQGWPCWCPLU-GHMZBOCLSA-N 1 2 292.301 1.168 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)CC(=O)N[C@@H](C(C)=O)C(C)C ZINC000491166270 332160156 /nfs/dbraw/zinc/16/01/56/332160156.db2.gz QLMMWYGZKFOIJR-CYBMUJFWSA-N 1 2 252.358 1.060 20 30 CDEDLO C#CC(C)(C)[N@H+](C)CC(=O)N[C@@H](C(C)=O)C(C)C ZINC000491166270 332160157 /nfs/dbraw/zinc/16/01/57/332160157.db2.gz QLMMWYGZKFOIJR-CYBMUJFWSA-N 1 2 252.358 1.060 20 30 CDEDLO C#CCNC(=O)C1CC[NH+](Cn2ncc(Cl)c2C)CC1 ZINC000491193425 332163775 /nfs/dbraw/zinc/16/37/75/332163775.db2.gz ZFJPMMTXIYLNFX-UHFFFAOYSA-N 1 2 294.786 1.264 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000491325219 332189630 /nfs/dbraw/zinc/18/96/30/332189630.db2.gz ANYSENATGQIXKT-VIFPVBQESA-N 1 2 261.281 1.147 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000491325219 332189631 /nfs/dbraw/zinc/18/96/31/332189631.db2.gz ANYSENATGQIXKT-VIFPVBQESA-N 1 2 261.281 1.147 20 30 CDEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccc(C)[nH+]c1C)C(C)C ZINC000491362322 332197114 /nfs/dbraw/zinc/19/71/14/332197114.db2.gz RAMWMNKNJYSWBF-GFCCVEGCSA-N 1 2 273.336 1.411 20 30 CDEDLO C#CC[N@H+](Cc1ccccc1)Cc1cc(=O)c(O)co1 ZINC000491496164 332223072 /nfs/dbraw/zinc/22/30/72/332223072.db2.gz OERRJNMIEALQIE-UHFFFAOYSA-N 1 2 269.300 1.981 20 30 CDEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cc(=O)c(O)co1 ZINC000491496164 332223073 /nfs/dbraw/zinc/22/30/73/332223073.db2.gz OERRJNMIEALQIE-UHFFFAOYSA-N 1 2 269.300 1.981 20 30 CDEDLO C#CC[N@@H+](C[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000491544698 332234442 /nfs/dbraw/zinc/23/44/42/332234442.db2.gz MZXMJKCAOKWCDW-GOEBONIOSA-N 1 2 291.416 1.912 20 30 CDEDLO C#CC[N@H+](C[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000491544698 332234444 /nfs/dbraw/zinc/23/44/44/332234444.db2.gz MZXMJKCAOKWCDW-GOEBONIOSA-N 1 2 291.416 1.912 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CCCS(=O)(=O)c1ccccc1 ZINC000491628784 332251972 /nfs/dbraw/zinc/25/19/72/332251972.db2.gz NUSUXMFPDRYTIW-ZDUSSCGKSA-N 1 2 265.378 1.804 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CCCS(=O)(=O)c1ccccc1 ZINC000491628784 332251973 /nfs/dbraw/zinc/25/19/73/332251973.db2.gz NUSUXMFPDRYTIW-ZDUSSCGKSA-N 1 2 265.378 1.804 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cnc(C(C)=O)s1 ZINC000491650839 332264652 /nfs/dbraw/zinc/26/46/52/332264652.db2.gz CDBAPSIQKISVIY-LLVKDONJSA-N 1 2 292.360 1.600 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cnc(C(C)=O)s1 ZINC000491650839 332264653 /nfs/dbraw/zinc/26/46/53/332264653.db2.gz CDBAPSIQKISVIY-LLVKDONJSA-N 1 2 292.360 1.600 20 30 CDEDLO C#CCN(C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000491663906 332272710 /nfs/dbraw/zinc/27/27/10/332272710.db2.gz DSWKTXDOSUMHRD-UHFFFAOYSA-N 1 2 253.305 1.637 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)OCc1ccccc1 ZINC000491707798 332300228 /nfs/dbraw/zinc/30/02/28/332300228.db2.gz SYTHKAFAHCKGRK-HNNXBMFYSA-N 1 2 273.332 1.454 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)OCc1ccccc1 ZINC000491707798 332300230 /nfs/dbraw/zinc/30/02/30/332300230.db2.gz SYTHKAFAHCKGRK-HNNXBMFYSA-N 1 2 273.332 1.454 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2cccc3c2CCC3)CC1 ZINC000491759130 332330851 /nfs/dbraw/zinc/33/08/51/332330851.db2.gz LMTCBDTWVZSDRF-UHFFFAOYSA-N 1 2 298.386 1.332 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000491795642 332354647 /nfs/dbraw/zinc/35/46/47/332354647.db2.gz WKBZQCHPQATKFH-LLVKDONJSA-N 1 2 260.341 1.311 20 30 CDEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@](C)(C#N)CSC ZINC000493607679 332446961 /nfs/dbraw/zinc/44/69/61/332446961.db2.gz ASDSKCWYNCHZKT-SZZPACECSA-N 1 2 278.381 1.678 20 30 CDEDLO CC(=O)Nc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000520926860 333107922 /nfs/dbraw/zinc/10/79/22/333107922.db2.gz KVKYCTOGKWBYML-HNNXBMFYSA-N 1 2 288.351 1.219 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ocnc1C1CC1 ZINC000521255074 333116484 /nfs/dbraw/zinc/11/64/84/333116484.db2.gz WMRMXHALGXIMOM-CYBMUJFWSA-N 1 2 262.313 1.126 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000192228722 333232991 /nfs/dbraw/zinc/23/29/91/333232991.db2.gz NJNNEQPWJFRLNU-UHFFFAOYSA-N 1 2 296.754 1.861 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000192228722 333232993 /nfs/dbraw/zinc/23/29/93/333232993.db2.gz NJNNEQPWJFRLNU-UHFFFAOYSA-N 1 2 296.754 1.861 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(F)ccc2OC)CC1 ZINC000193625354 333254286 /nfs/dbraw/zinc/25/42/86/333254286.db2.gz IZQCZUKONPCERY-UHFFFAOYSA-N 1 2 262.328 1.585 20 30 CDEDLO C#CCN1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC000193625354 333254287 /nfs/dbraw/zinc/25/42/87/333254287.db2.gz IZQCZUKONPCERY-UHFFFAOYSA-N 1 2 262.328 1.585 20 30 CDEDLO C[C@H](C#N)C[NH2+]Cc1csc(-c2cnn(C)c2)n1 ZINC000529540825 333495432 /nfs/dbraw/zinc/49/54/32/333495432.db2.gz JOEJQWWSXVGMIJ-SECBINFHSA-N 1 2 261.354 1.793 20 30 CDEDLO C[C@H](C#N)CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000541945553 333802785 /nfs/dbraw/zinc/80/27/85/333802785.db2.gz SEVYUQFVSIPHNF-LLVKDONJSA-N 1 2 275.356 1.221 20 30 CDEDLO C#CC[NH+]1CCN(Cn2nnc3ccccc3c2=S)CC1 ZINC000071966477 333893128 /nfs/dbraw/zinc/89/31/28/333893128.db2.gz ZHEVZTKFWJCEIV-UHFFFAOYSA-N 1 2 299.403 1.369 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCS[C@H](C)C1 ZINC000246080118 334229996 /nfs/dbraw/zinc/22/99/96/334229996.db2.gz DIYFXDBSUPVMQG-DGCLKSJQSA-N 1 2 269.414 1.478 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCS[C@H](C)C1 ZINC000246080118 334229997 /nfs/dbraw/zinc/22/99/97/334229997.db2.gz DIYFXDBSUPVMQG-DGCLKSJQSA-N 1 2 269.414 1.478 20 30 CDEDLO N#CCC[C@H](C#N)CNCc1c[nH+]c2n1CCCC2 ZINC000550999497 334235798 /nfs/dbraw/zinc/23/57/98/334235798.db2.gz JJBBUZYAQZUKER-GFCCVEGCSA-N 1 2 257.341 1.753 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cnc2n1CCCC2 ZINC000550999497 334235799 /nfs/dbraw/zinc/23/57/99/334235799.db2.gz JJBBUZYAQZUKER-GFCCVEGCSA-N 1 2 257.341 1.753 20 30 CDEDLO N#CC1CC[NH+]([C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000157170342 334762074 /nfs/dbraw/zinc/76/20/74/334762074.db2.gz HDZXXHKGKBOSNC-NSHDSACASA-N 1 2 289.301 1.775 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000578641758 335657910 /nfs/dbraw/zinc/65/79/10/335657910.db2.gz KFRNRTAZVGDAJP-AWEZNQCLSA-N 1 2 290.354 1.407 20 30 CDEDLO C[C@H](C#N)CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000182488166 335823539 /nfs/dbraw/zinc/82/35/39/335823539.db2.gz SXPXHVDUGJXCOX-GFCCVEGCSA-N 1 2 287.367 1.641 20 30 CDEDLO C#CC[NH2+][C@H]1CCCCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001088317385 1160366468 /nfs/dbraw/zinc/36/64/68/1160366468.db2.gz ZZTVMFLFEWXDLT-QWRGUYRKSA-N 1 2 294.292 1.881 20 30 CDEDLO C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001088317385 1160366474 /nfs/dbraw/zinc/36/64/74/1160366474.db2.gz ZZTVMFLFEWXDLT-QWRGUYRKSA-N 1 2 294.292 1.881 20 30 CDEDLO C=CCOCCNc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000665710795 482563810 /nfs/dbraw/zinc/56/38/10/482563810.db2.gz VXBQWAQRCCXCLM-QWHCGFSZSA-N 1 2 292.383 1.298 20 30 CDEDLO C=CCOCCNc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000665710795 482563817 /nfs/dbraw/zinc/56/38/17/482563817.db2.gz VXBQWAQRCCXCLM-QWHCGFSZSA-N 1 2 292.383 1.298 20 30 CDEDLO C=C(C)C[N@@H+](C)Cc1nnnn1Cc1ccccc1 ZINC000679217328 483303357 /nfs/dbraw/zinc/30/33/57/483303357.db2.gz AJWLYJBESCKFBH-UHFFFAOYSA-N 1 2 257.341 1.729 20 30 CDEDLO C=C(C)C[N@H+](C)Cc1nnnn1Cc1ccccc1 ZINC000679217328 483303359 /nfs/dbraw/zinc/30/33/59/483303359.db2.gz AJWLYJBESCKFBH-UHFFFAOYSA-N 1 2 257.341 1.729 20 30 CDEDLO Cc1nc(NCC2(CCNC(=O)[C@@H](C)C#N)CC2)cc[nH+]1 ZINC001089912726 1161337642 /nfs/dbraw/zinc/33/76/42/1161337642.db2.gz BOXJAONDLNZNSL-NSHDSACASA-N 1 2 287.367 1.643 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[NH2+]Cc1nc(COC)no1 ZINC001128241973 1161462056 /nfs/dbraw/zinc/46/20/56/1161462056.db2.gz GZPCYPAPKOFPLC-UHFFFAOYSA-N 1 2 296.371 1.024 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3sccc3C)[C@H]2C1 ZINC001082980732 1161581257 /nfs/dbraw/zinc/58/12/57/1161581257.db2.gz PUNAYWBFMDQUCP-QWHCGFSZSA-N 1 2 292.404 1.768 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001753332963 1185160028 /nfs/dbraw/zinc/16/00/28/1185160028.db2.gz ZARTWFWSXQGQDZ-WDEREUQCSA-N 1 2 294.292 1.738 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCOCC(F)(F)F)CC1 ZINC001113059978 1162089281 /nfs/dbraw/zinc/08/92/81/1162089281.db2.gz KKFKMNOUOMSSKX-UHFFFAOYSA-N 1 2 292.301 1.123 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)CCCCc2c[nH]nn2)CC1 ZINC001113154024 1162118234 /nfs/dbraw/zinc/11/82/34/1162118234.db2.gz QZYLXOHJFKMKAY-UHFFFAOYSA-N 1 2 291.399 1.238 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)CCCCc2cn[nH]n2)CC1 ZINC001113154024 1162118238 /nfs/dbraw/zinc/11/82/38/1162118238.db2.gz QZYLXOHJFKMKAY-UHFFFAOYSA-N 1 2 291.399 1.238 20 30 CDEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001113218180 1162130789 /nfs/dbraw/zinc/13/07/89/1162130789.db2.gz VMXABSDUKYNOHE-HUUCEWRRSA-N 1 2 290.411 1.486 20 30 CDEDLO C=CC[C@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000345011043 527129510 /nfs/dbraw/zinc/12/95/10/527129510.db2.gz KGOOEVWLISUSRQ-BFHYXJOUSA-N 1 2 281.400 1.456 20 30 CDEDLO CCC[C@H]([NH2+]C(C)C)C(=O)N=c1ccn(CCC#N)[nH]1 ZINC000353822950 528209801 /nfs/dbraw/zinc/20/98/01/528209801.db2.gz GDTLSASMSRZNTK-LBPRGKRZSA-N 1 2 277.372 1.324 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000331571198 528624210 /nfs/dbraw/zinc/62/42/10/528624210.db2.gz ZMKJHKNXLNJZGW-JSGCOSHPSA-N 1 2 279.384 1.105 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000331571198 528624213 /nfs/dbraw/zinc/62/42/13/528624213.db2.gz ZMKJHKNXLNJZGW-JSGCOSHPSA-N 1 2 279.384 1.105 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccon1 ZINC000349242317 528698000 /nfs/dbraw/zinc/69/80/00/528698000.db2.gz OVEODSZMZGGESI-MNOVXSKESA-N 1 2 264.329 1.333 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347360486 528854946 /nfs/dbraw/zinc/85/49/46/528854946.db2.gz IEVSMKKANSUNID-YUELXQCFSA-N 1 2 299.390 1.226 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347360486 528854950 /nfs/dbraw/zinc/85/49/50/528854950.db2.gz IEVSMKKANSUNID-YUELXQCFSA-N 1 2 299.390 1.226 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000353711929 529347010 /nfs/dbraw/zinc/34/70/10/529347010.db2.gz OLGHIKZBJSCPDM-IUODEOHRSA-N 1 2 295.383 1.022 20 30 CDEDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191365002 535646064 /nfs/dbraw/zinc/64/60/64/535646064.db2.gz YVRMXKJVFWSADP-NSHDSACASA-N 1 2 283.397 1.152 20 30 CDEDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191365002 535646067 /nfs/dbraw/zinc/64/60/67/535646067.db2.gz YVRMXKJVFWSADP-NSHDSACASA-N 1 2 283.397 1.152 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000738337395 574510532 /nfs/dbraw/zinc/51/05/32/574510532.db2.gz BZDTWVNGIRXBHF-NSHDSACASA-N 1 2 260.312 1.494 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000738337395 574510533 /nfs/dbraw/zinc/51/05/33/574510533.db2.gz BZDTWVNGIRXBHF-NSHDSACASA-N 1 2 260.312 1.494 20 30 CDEDLO COCCO[NH+]=Cc1ccc(N2CCOCC2)s1 ZINC000748792013 574525643 /nfs/dbraw/zinc/52/56/43/574525643.db2.gz UIAOTADVIUSCTJ-UHFFFAOYSA-N 1 2 270.354 1.582 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cn1 ZINC000728866874 574667769 /nfs/dbraw/zinc/66/77/69/574667769.db2.gz WCMAQXAQFUSFOR-HNNXBMFYSA-N 1 2 280.331 1.737 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CC/N=C/c1cccc(O)c1O ZINC000729149816 574723414 /nfs/dbraw/zinc/72/34/14/574723414.db2.gz PHGVLNIXOVXWOX-ZRRZQRFHSA-N 1 2 264.325 1.237 20 30 CDEDLO C[C@H]1COCC[N@H+]1CC/N=C/c1cccc(O)c1O ZINC000729149816 574723416 /nfs/dbraw/zinc/72/34/16/574723416.db2.gz PHGVLNIXOVXWOX-ZRRZQRFHSA-N 1 2 264.325 1.237 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000730097365 574849437 /nfs/dbraw/zinc/84/94/37/574849437.db2.gz RTSMFTHCVPKCNH-HNNXBMFYSA-N 1 2 297.358 1.607 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000730097365 574849438 /nfs/dbraw/zinc/84/94/38/574849438.db2.gz RTSMFTHCVPKCNH-HNNXBMFYSA-N 1 2 297.358 1.607 20 30 CDEDLO C1CC[C@@H]2[NH+]=C(N=NC3CCCOCC3)N[C@H]2C1 ZINC000770608770 575472617 /nfs/dbraw/zinc/47/26/17/575472617.db2.gz XYDJANCYTAWEOE-RYUDHWBXSA-N 1 2 250.346 1.403 20 30 CDEDLO C=CCn1nnn(C[N@H+](C)C[C@H]2CCCOC2)c1=S ZINC000730803551 575010338 /nfs/dbraw/zinc/01/03/38/575010338.db2.gz KIPKXDHAHRLBJX-LLVKDONJSA-N 1 2 283.401 1.311 20 30 CDEDLO C=CCn1nnn(C[N@@H+](C)C[C@H]2CCCOC2)c1=S ZINC000730803551 575010339 /nfs/dbraw/zinc/01/03/39/575010339.db2.gz KIPKXDHAHRLBJX-LLVKDONJSA-N 1 2 283.401 1.311 20 30 CDEDLO C=C1CC[NH+](Cc2ccc(S(=O)(=O)N(C)C)o2)CC1 ZINC000731032277 575030747 /nfs/dbraw/zinc/03/07/47/575030747.db2.gz GULOPDQXEIMANA-UHFFFAOYSA-N 1 2 284.381 1.682 20 30 CDEDLO C#CCOC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000731248186 575042407 /nfs/dbraw/zinc/04/24/07/575042407.db2.gz GKKNLSCYIJSLSS-HNNXBMFYSA-N 1 2 273.332 1.361 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2cccc(C)c2NC(C)=O)CC1 ZINC000733160979 575102965 /nfs/dbraw/zinc/10/29/65/575102965.db2.gz ILTKRTLCBXFSLN-UHFFFAOYSA-N 1 2 299.374 1.344 20 30 CDEDLO CO[C@@H]1CCC[C@H]1C/[NH+]=C\c1c(CO)cnc(C)c1O ZINC000774540248 575213135 /nfs/dbraw/zinc/21/31/35/575213135.db2.gz CKYONIJVXMMMMU-VNXFYSQBSA-N 1 2 278.352 1.822 20 30 CDEDLO C#CCOCCc1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000761890267 576604000 /nfs/dbraw/zinc/60/40/00/576604000.db2.gz IHQJNLBFYCEJJY-UHFFFAOYSA-N 1 2 296.330 1.809 20 30 CDEDLO Cc1cc(C[N@H+](CCS(C)(=O)=O)C2CC2)ccc1C#N ZINC000774907275 575250370 /nfs/dbraw/zinc/25/03/70/575250370.db2.gz BNXCKGVKKPFLGD-UHFFFAOYSA-N 1 2 292.404 1.876 20 30 CDEDLO Cc1cc(C[N@@H+](CCS(C)(=O)=O)C2CC2)ccc1C#N ZINC000774907275 575250372 /nfs/dbraw/zinc/25/03/72/575250372.db2.gz BNXCKGVKKPFLGD-UHFFFAOYSA-N 1 2 292.404 1.876 20 30 CDEDLO Nc1ncc(C=[NH+]Nc2ccnc(Br)c2)cn1 ZINC000769812716 575388125 /nfs/dbraw/zinc/38/81/25/575388125.db2.gz IMQWPFZTHUPKSP-UHFFFAOYSA-N 1 2 293.128 1.662 20 30 CDEDLO C[C@@H]1CC(=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)CCO1 ZINC000773205917 575791239 /nfs/dbraw/zinc/79/12/39/575791239.db2.gz BBWQUXXJMNILQY-JLLWLGSASA-N 1 2 250.346 1.401 20 30 CDEDLO C[C@@H]1CC(N=NC2=[NH+][C@@H]3CCCC[C@@H]3N2)CCO1 ZINC000773205917 575791242 /nfs/dbraw/zinc/79/12/42/575791242.db2.gz BBWQUXXJMNILQY-JLLWLGSASA-N 1 2 250.346 1.401 20 30 CDEDLO C#CCCCCC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000773332152 575802191 /nfs/dbraw/zinc/80/21/91/575802191.db2.gz GNIAORZSBZSFJZ-UHFFFAOYSA-N 1 2 288.395 1.258 20 30 CDEDLO Cc1nc2ccccc2c(=O)n1N=Cc1ccc[nH+]c1N ZINC000764654873 575931276 /nfs/dbraw/zinc/93/12/76/575931276.db2.gz QYBOZXQMQJGWGF-UHFFFAOYSA-N 1 2 279.303 1.564 20 30 CDEDLO C[N@H+](CC(=O)[C@@H](C#N)c1ccncn1)[C@H]1CCSC1 ZINC000774413691 575944989 /nfs/dbraw/zinc/94/49/89/575944989.db2.gz FCPFBGYUQOVQBY-QWRGUYRKSA-N 1 2 276.365 1.090 20 30 CDEDLO C[N@@H+](CC(=O)[C@@H](C#N)c1ccncn1)[C@H]1CCSC1 ZINC000774413691 575944993 /nfs/dbraw/zinc/94/49/93/575944993.db2.gz FCPFBGYUQOVQBY-QWRGUYRKSA-N 1 2 276.365 1.090 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000769227354 576339328 /nfs/dbraw/zinc/33/93/28/576339328.db2.gz ATZUTOSPHFBZOM-NSHDSACASA-N 1 2 278.302 1.504 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000769227354 576339329 /nfs/dbraw/zinc/33/93/29/576339329.db2.gz ATZUTOSPHFBZOM-NSHDSACASA-N 1 2 278.302 1.504 20 30 CDEDLO COc1ccc(C(N)=[NH+]OC[C@@H]2CC3(CC3)C(=O)O2)cc1 ZINC000762204958 576628605 /nfs/dbraw/zinc/62/86/05/576628605.db2.gz BUSMNVPIOOCUMP-LBPRGKRZSA-N 1 2 290.319 1.428 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cccc(C(=O)OC)c1 ZINC000743852149 576658153 /nfs/dbraw/zinc/65/81/53/576658153.db2.gz BNTYSKJTQSWCSX-UHFFFAOYSA-N 1 2 255.317 1.932 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cccc(C(=O)OC)c1 ZINC000743852149 576658154 /nfs/dbraw/zinc/65/81/54/576658154.db2.gz BNTYSKJTQSWCSX-UHFFFAOYSA-N 1 2 255.317 1.932 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2scnc2Cl)CC1 ZINC000744364538 576677053 /nfs/dbraw/zinc/67/70/53/576677053.db2.gz LHNAIDHTFUKSDB-UHFFFAOYSA-N 1 2 283.784 1.578 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1COc2ccc(C)cc21 ZINC000763754406 576754701 /nfs/dbraw/zinc/75/47/01/576754701.db2.gz ITXVDYLIJNBOFO-GJZGRUSLSA-N 1 2 284.359 1.642 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1COc2ccc(C)cc21 ZINC000763754406 576754702 /nfs/dbraw/zinc/75/47/02/576754702.db2.gz ITXVDYLIJNBOFO-GJZGRUSLSA-N 1 2 284.359 1.642 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]Nc1cccc(C)c1 ZINC000747624604 576877443 /nfs/dbraw/zinc/87/74/43/576877443.db2.gz ONNJBXOGRNTJSL-UHFFFAOYSA-N 1 2 257.297 1.822 20 30 CDEDLO Cn1c[nH+]cc1C=NN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000755541198 576949207 /nfs/dbraw/zinc/94/92/07/576949207.db2.gz BKVLNPMKXTWUOG-HNNXBMFYSA-N 1 2 297.318 1.221 20 30 CDEDLO Cc1[nH]c[nH+]c1C=NNc1cn[nH]c(=O)c1Cl ZINC000755620758 576952344 /nfs/dbraw/zinc/95/23/44/576952344.db2.gz LVEHBXYIDCGXTR-UHFFFAOYSA-N 1 2 252.665 1.313 20 30 CDEDLO C#Cc1cccc(NC(=S)NN=Cc2c[nH+]cn2C)c1 ZINC000755688474 576955274 /nfs/dbraw/zinc/95/52/74/576955274.db2.gz AYJPJNBDRAKDTO-UHFFFAOYSA-N 1 2 283.360 1.722 20 30 CDEDLO Cc1ccc(N=NCc2c[nH+]c3ccccn23)nn1 ZINC000755699453 576956201 /nfs/dbraw/zinc/95/62/01/576956201.db2.gz PUZONXQJXGGANU-UHFFFAOYSA-N 1 2 252.281 1.879 20 30 CDEDLO Cn1c[nH+]cc1C=NNC(=S)NCC1CCC1 ZINC000755699160 576956350 /nfs/dbraw/zinc/95/63/50/576956350.db2.gz SZZXVDSGPPMURF-UHFFFAOYSA-N 1 2 251.359 1.018 20 30 CDEDLO C[C@@H](NC(=S)NN=Cc1c[nH+]cn1C)C1CC1 ZINC000755766589 576959244 /nfs/dbraw/zinc/95/92/44/576959244.db2.gz CRYXOGAMCQBGPK-MRVPVSSYSA-N 1 2 251.359 1.017 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cn1 ZINC000756129936 576978588 /nfs/dbraw/zinc/97/85/88/576978588.db2.gz JCLCEFQWTKBVHY-CYBMUJFWSA-N 1 2 280.331 1.426 20 30 CDEDLO Cc1ccn(C[NH+]2C[C@@H](C)S[C@H](C)C2)c(=O)c1C#N ZINC000758222110 577085079 /nfs/dbraw/zinc/08/50/79/577085079.db2.gz FUTZUAATUFHRDK-VXGBXAGGSA-N 1 2 277.393 1.812 20 30 CDEDLO C[C@@H]1C[N@@H+](Cn2cccc(C#N)c2=O)C[C@H](C)S1 ZINC000758225745 577085368 /nfs/dbraw/zinc/08/53/68/577085368.db2.gz UUFXUAYSXYBCMX-PHIMTYICSA-N 1 2 263.366 1.503 20 30 CDEDLO C[C@@H]1C[N@H+](Cn2cccc(C#N)c2=O)C[C@H](C)S1 ZINC000758225745 577085369 /nfs/dbraw/zinc/08/53/69/577085369.db2.gz UUFXUAYSXYBCMX-PHIMTYICSA-N 1 2 263.366 1.503 20 30 CDEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]OCC(F)F ZINC000758907253 577140119 /nfs/dbraw/zinc/14/01/19/577140119.db2.gz SYUPIXMYXATTSR-UHFFFAOYSA-N 1 2 288.298 1.181 20 30 CDEDLO COC(=O)c1ccc(C=NOCc2c[nH+]cn2C)cc1 ZINC000753119030 577147505 /nfs/dbraw/zinc/14/75/05/577147505.db2.gz XDZHIZLHRPWFSG-UHFFFAOYSA-N 1 2 273.292 1.757 20 30 CDEDLO C#CC[N@@H+](CC)Cc1ccc(-c2nn[nH]n2)cc1Cl ZINC001602720318 1175373144 /nfs/dbraw/zinc/37/31/44/1175373144.db2.gz ULJLMGVJQGVJAY-UHFFFAOYSA-N 1 2 275.743 1.975 20 30 CDEDLO C#CC[N@H+](CC)Cc1ccc(-c2nn[nH]n2)cc1Cl ZINC001602720318 1175373152 /nfs/dbraw/zinc/37/31/52/1175373152.db2.gz ULJLMGVJQGVJAY-UHFFFAOYSA-N 1 2 275.743 1.975 20 30 CDEDLO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC000971858707 613087932 /nfs/dbraw/zinc/08/79/32/613087932.db2.gz NIEINSVNUTYVOH-CYBMUJFWSA-N 1 2 296.374 1.651 20 30 CDEDLO C#CC[N@H+](C)[C@@H]1CCN(C(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC000971858707 613087934 /nfs/dbraw/zinc/08/79/34/613087934.db2.gz NIEINSVNUTYVOH-CYBMUJFWSA-N 1 2 296.374 1.651 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccn(CC(C)C)n2)CC1 ZINC000948580162 613321189 /nfs/dbraw/zinc/32/11/89/613321189.db2.gz AWBJTSIRKRNTCY-UHFFFAOYSA-N 1 2 290.411 1.873 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cn(CC3CC3)nn2)CC1 ZINC000952447219 613321371 /nfs/dbraw/zinc/32/13/71/613321371.db2.gz RVGCWTWYWTZNAQ-UHFFFAOYSA-N 1 2 289.383 1.022 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ocnc2CC)CC1 ZINC000950394536 613322134 /nfs/dbraw/zinc/32/21/34/613322134.db2.gz OFUNVTBYXHFVIR-UHFFFAOYSA-N 1 2 263.341 1.571 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCO2)C1 ZINC000969254476 613371497 /nfs/dbraw/zinc/37/14/97/613371497.db2.gz SHCKYINXAUTLPX-PWSUYJOCSA-N 1 2 272.776 1.354 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C2CCOCC2)CC1 ZINC000980610871 613373099 /nfs/dbraw/zinc/37/30/99/613373099.db2.gz JTXDSVOHNPWGAP-UHFFFAOYSA-N 1 2 286.803 1.700 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C2CCOCC2)CC1 ZINC000980610871 613373100 /nfs/dbraw/zinc/37/31/00/613373100.db2.gz JTXDSVOHNPWGAP-UHFFFAOYSA-N 1 2 286.803 1.700 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC2)C1 ZINC000964604630 613377511 /nfs/dbraw/zinc/37/75/11/613377511.db2.gz WPWRFFUTIJNHSJ-CABZTGNLSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC2)C1 ZINC000964604630 613377512 /nfs/dbraw/zinc/37/75/12/613377512.db2.gz WPWRFFUTIJNHSJ-CABZTGNLSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nnc[nH]2)C[C@@H]1C ZINC000947821339 613379710 /nfs/dbraw/zinc/37/97/10/613379710.db2.gz TVHNOKBDZCDDOF-UWVGGRQHSA-N 1 2 283.763 1.140 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nnc[nH]2)C[C@@H]1C ZINC000947821339 613379711 /nfs/dbraw/zinc/37/97/11/613379711.db2.gz TVHNOKBDZCDDOF-UWVGGRQHSA-N 1 2 283.763 1.140 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2occc2C)C1 ZINC000957855497 613381354 /nfs/dbraw/zinc/38/13/54/613381354.db2.gz OKYYHPOTDSXADW-NEPJUHHUSA-N 1 2 298.770 1.363 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2occc2C)C1 ZINC000957855497 613381355 /nfs/dbraw/zinc/38/13/55/613381355.db2.gz OKYYHPOTDSXADW-NEPJUHHUSA-N 1 2 298.770 1.363 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000969584776 613436365 /nfs/dbraw/zinc/43/63/65/613436365.db2.gz METBSCYJSVZTCU-SNVBAGLBSA-N 1 2 280.397 1.441 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2onc(C)c2C)CC1 ZINC000981410983 613557241 /nfs/dbraw/zinc/55/72/41/613557241.db2.gz MULAMFLTYAEHPR-UHFFFAOYSA-N 1 2 275.352 1.463 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2onc(C)c2C)CC1 ZINC000981410983 613557243 /nfs/dbraw/zinc/55/72/43/613557243.db2.gz MULAMFLTYAEHPR-UHFFFAOYSA-N 1 2 275.352 1.463 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccnc3)C2)C1 ZINC000972229246 613571206 /nfs/dbraw/zinc/57/12/06/613571206.db2.gz RMNVGZKBCLUWQC-KRWDZBQOSA-N 1 2 299.374 1.022 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccnc3)C2)C1 ZINC000972229246 613571207 /nfs/dbraw/zinc/57/12/07/613571207.db2.gz RMNVGZKBCLUWQC-KRWDZBQOSA-N 1 2 299.374 1.022 20 30 CDEDLO C=CC(C)(C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000891266829 617393515 /nfs/dbraw/zinc/39/35/15/617393515.db2.gz HXUVQGIABVIQQN-LBPRGKRZSA-N 1 2 262.357 1.871 20 30 CDEDLO C=CC(C)(C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000891266829 617393516 /nfs/dbraw/zinc/39/35/16/617393516.db2.gz HXUVQGIABVIQQN-LBPRGKRZSA-N 1 2 262.357 1.871 20 30 CDEDLO C=CC(C)(C)NC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000891268122 617393620 /nfs/dbraw/zinc/39/36/20/617393620.db2.gz LTNRRAZLGPPWSB-OLZOCXBDSA-N 1 2 268.401 1.957 20 30 CDEDLO C=CC(C)(C)NC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000891268122 617393621 /nfs/dbraw/zinc/39/36/21/617393621.db2.gz LTNRRAZLGPPWSB-OLZOCXBDSA-N 1 2 268.401 1.957 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cc(C)n(C)c2C)C1 ZINC000957367501 613656743 /nfs/dbraw/zinc/65/67/43/613656743.db2.gz RMMMRUYXLHILBK-UHFFFAOYSA-N 1 2 275.396 1.974 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccnc3c2ncn3C)C1 ZINC000951732016 613658380 /nfs/dbraw/zinc/65/83/80/613658380.db2.gz AFTFBQWOYIHYCW-UHFFFAOYSA-N 1 2 299.378 1.301 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CN2CCc3ccccc32)CC1 ZINC000957693849 613708103 /nfs/dbraw/zinc/70/81/03/613708103.db2.gz AKDKOOQNBJPONF-UHFFFAOYSA-N 1 2 285.391 1.379 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@]2(C)CCO[C@H]2C)CC1 ZINC000949448057 613712314 /nfs/dbraw/zinc/71/23/14/613712314.db2.gz ROGDLSYWOQKVRU-JSGCOSHPSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]2OC)CC1 ZINC000948968686 613712659 /nfs/dbraw/zinc/71/26/59/613712659.db2.gz RTYFBFBZMPEBIR-STQMWFEESA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CC(=O)Nc3ccccc32)CC1 ZINC000949557297 613712913 /nfs/dbraw/zinc/71/29/13/613712913.db2.gz CDJGHBJBZNLNAH-AWEZNQCLSA-N 1 2 299.374 1.443 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)nc(OC)c2)CC1 ZINC000949894583 613714846 /nfs/dbraw/zinc/71/48/46/613714846.db2.gz ARPBRTJMENWHTN-UHFFFAOYSA-N 1 2 275.352 1.342 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cn(C)nc2C(C)(C)C)CC1 ZINC000951783578 613717358 /nfs/dbraw/zinc/71/73/58/613717358.db2.gz FOWJEMJCORSPEV-UHFFFAOYSA-N 1 2 290.411 1.661 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccncc2CC)CC1 ZINC000949005708 613717409 /nfs/dbraw/zinc/71/74/09/613717409.db2.gz YDGVFWVZXFHTAW-UHFFFAOYSA-N 1 2 259.353 1.588 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(C4CC4)CC3)C2)C1 ZINC000972426020 613725224 /nfs/dbraw/zinc/72/52/24/613725224.db2.gz RIGQAZFJZBIOHX-MRXNPFEDSA-N 1 2 290.407 1.666 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(C4CC4)CC3)C2)C1 ZINC000972426020 613725227 /nfs/dbraw/zinc/72/52/27/613725227.db2.gz RIGQAZFJZBIOHX-MRXNPFEDSA-N 1 2 290.407 1.666 20 30 CDEDLO C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC000968630847 613729615 /nfs/dbraw/zinc/72/96/15/613729615.db2.gz CIBMJPIZKARKKA-ABAIWWIYSA-N 1 2 299.378 1.584 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC000968630847 613729616 /nfs/dbraw/zinc/72/96/16/613729616.db2.gz CIBMJPIZKARKKA-ABAIWWIYSA-N 1 2 299.378 1.584 20 30 CDEDLO CNc1cc(N2CCN(c3ncccc3C#N)CC2)nc[nH+]1 ZINC000891622526 617508802 /nfs/dbraw/zinc/50/88/02/617508802.db2.gz YHOSDILLSIMDLU-UHFFFAOYSA-N 1 2 295.350 1.112 20 30 CDEDLO CNc1cc(N2CCN(c3ncccc3C#N)CC2)[nH+]cn1 ZINC000891622526 617508804 /nfs/dbraw/zinc/50/88/04/617508804.db2.gz YHOSDILLSIMDLU-UHFFFAOYSA-N 1 2 295.350 1.112 20 30 CDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)C#Cc1cccs1 ZINC000840522230 617584258 /nfs/dbraw/zinc/58/42/58/617584258.db2.gz JZOAZDPVNWEBFS-UHFFFAOYSA-N 1 2 292.404 1.327 20 30 CDEDLO CN(CC#N)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000971927187 616040701 /nfs/dbraw/zinc/04/07/01/616040701.db2.gz DIVHHUHAFOSHCB-GFCCVEGCSA-N 1 2 283.335 1.004 20 30 CDEDLO N#Cc1ccc(N2CCC[N@@H+](CC(N)=O)CC2)c(Cl)c1 ZINC000891935416 617798128 /nfs/dbraw/zinc/79/81/28/617798128.db2.gz PNPXGDWFJHKADW-UHFFFAOYSA-N 1 2 292.770 1.209 20 30 CDEDLO N#Cc1ccc(N2CCC[N@H+](CC(N)=O)CC2)c(Cl)c1 ZINC000891935416 617798131 /nfs/dbraw/zinc/79/81/31/617798131.db2.gz PNPXGDWFJHKADW-UHFFFAOYSA-N 1 2 292.770 1.209 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902048861 618518114 /nfs/dbraw/zinc/51/81/14/618518114.db2.gz JVLQPEXSDOCOGO-KBPBESRZSA-N 1 2 255.321 1.426 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902048861 618518120 /nfs/dbraw/zinc/51/81/20/618518120.db2.gz JVLQPEXSDOCOGO-KBPBESRZSA-N 1 2 255.321 1.426 20 30 CDEDLO C#CC[C@H](CCOC)Nc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000894830667 619082597 /nfs/dbraw/zinc/08/25/97/619082597.db2.gz QRNFGVSSHLBBPF-CHWSQXEVSA-N 1 2 292.383 1.500 20 30 CDEDLO C#CC[C@H](CCOC)Nc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000894830667 619082598 /nfs/dbraw/zinc/08/25/98/619082598.db2.gz QRNFGVSSHLBBPF-CHWSQXEVSA-N 1 2 292.383 1.500 20 30 CDEDLO Cn1nc(C[NH2+][C@@H]2CCCN(O)C2=O)c2ccccc21 ZINC000895166079 619395696 /nfs/dbraw/zinc/39/56/96/619395696.db2.gz OXXUKVQUGMEGPR-LLVKDONJSA-N 1 2 274.324 1.043 20 30 CDEDLO C=CCC1(O)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000899595631 622321820 /nfs/dbraw/zinc/32/18/20/622321820.db2.gz WXWQKKRMLRWFQA-CYBMUJFWSA-N 1 2 277.368 1.764 20 30 CDEDLO C#CCSCC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000900342682 622917415 /nfs/dbraw/zinc/91/74/15/622917415.db2.gz RRSRXOBLIXNNKG-GFCCVEGCSA-N 1 2 279.409 1.780 20 30 CDEDLO CC(C)[C@H](C#N)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000900636873 623323407 /nfs/dbraw/zinc/32/34/07/623323407.db2.gz AXBUQQDZOHVTHD-QWHCGFSZSA-N 1 2 275.356 1.454 20 30 CDEDLO CC(C)[C@H](C#N)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000900636873 623323412 /nfs/dbraw/zinc/32/34/12/623323412.db2.gz AXBUQQDZOHVTHD-QWHCGFSZSA-N 1 2 275.356 1.454 20 30 CDEDLO N#Cc1cccc(C2(NC(=O)Cc3c[nH]c[nH+]3)CC2)c1 ZINC000901169192 623947868 /nfs/dbraw/zinc/94/78/68/623947868.db2.gz SNSXDWCGPZTFMB-UHFFFAOYSA-N 1 2 266.304 1.629 20 30 CDEDLO Cn1cncc1/C=C1\CN(C)C/C(=C/c2c[nH+]cn2C)C1=O ZINC000901418145 624229046 /nfs/dbraw/zinc/22/90/46/624229046.db2.gz YOGLXIKJWMTNQR-JBWWEBJPSA-N 1 2 297.362 1.135 20 30 CDEDLO Cn1cncc1/C=C1/CN(C)C/C(=C\c2c[nH+]cn2C)C1=O ZINC000901418145 624229047 /nfs/dbraw/zinc/22/90/47/624229047.db2.gz YOGLXIKJWMTNQR-JBWWEBJPSA-N 1 2 297.362 1.135 20 30 CDEDLO C#CC[C@H](CCOC)[NH2+][C@H](C(=O)OC)[C@H](C)CC ZINC000905775849 626959409 /nfs/dbraw/zinc/95/94/09/626959409.db2.gz CBXUABOPQRDDKZ-UPJWGTAASA-N 1 2 255.358 1.592 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)cc1 ZINC000913457298 630488482 /nfs/dbraw/zinc/48/84/82/630488482.db2.gz ZRERJDLGUUQSTN-MRXNPFEDSA-N 1 2 294.358 1.188 20 30 CDEDLO CCCCCCCC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000152375172 631019588 /nfs/dbraw/zinc/01/95/88/631019588.db2.gz YBHXLXZYKCFFNN-KBPBESRZSA-N 1 2 268.401 1.888 20 30 CDEDLO CCCCCCCC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000152375172 631019597 /nfs/dbraw/zinc/01/95/97/631019597.db2.gz YBHXLXZYKCFFNN-KBPBESRZSA-N 1 2 268.401 1.888 20 30 CDEDLO COc1ccc(OC)c([C@H](O)C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000920088758 632719725 /nfs/dbraw/zinc/71/97/25/632719725.db2.gz KBOVYAIKQPHUFL-SMDDNHRTSA-N 1 2 278.352 1.829 20 30 CDEDLO COc1ccc(OC)c([C@H](O)C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000920088758 632719729 /nfs/dbraw/zinc/71/97/29/632719729.db2.gz KBOVYAIKQPHUFL-SMDDNHRTSA-N 1 2 278.352 1.829 20 30 CDEDLO C[N@@H+]1CCc2ncnc(NCC#Cc3ccccc3)c2C1 ZINC001170425597 1162392448 /nfs/dbraw/zinc/39/24/48/1162392448.db2.gz BJTRJXFTEVGIDP-UHFFFAOYSA-N 1 2 278.359 1.928 20 30 CDEDLO C[N@H+]1CCc2ncnc(NCC#Cc3ccccc3)c2C1 ZINC001170425597 1162392450 /nfs/dbraw/zinc/39/24/50/1162392450.db2.gz BJTRJXFTEVGIDP-UHFFFAOYSA-N 1 2 278.359 1.928 20 30 CDEDLO N#Cc1ccc(F)c(-c2noc(C[N@H+]3CC[C@H](O)C3)n2)c1 ZINC001211786683 1159960275 /nfs/dbraw/zinc/96/02/75/1159960275.db2.gz XHQDEMRHUWDHOB-JTQLQIEISA-N 1 2 288.282 1.314 20 30 CDEDLO N#Cc1ccc(F)c(-c2noc(C[N@@H+]3CC[C@H](O)C3)n2)c1 ZINC001211786683 1159960278 /nfs/dbraw/zinc/96/02/78/1159960278.db2.gz XHQDEMRHUWDHOB-JTQLQIEISA-N 1 2 288.282 1.314 20 30 CDEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3sccc3C)[C@H]2C1 ZINC001082980732 1161581252 /nfs/dbraw/zinc/58/12/52/1161581252.db2.gz PUNAYWBFMDQUCP-QWHCGFSZSA-N 1 2 292.404 1.768 20 30 CDEDLO N#CCc1nccnc1NCCc1cn2ccccc2[nH+]1 ZINC001169000893 1161997474 /nfs/dbraw/zinc/99/74/74/1161997474.db2.gz VKIAZZXXWBBHGY-UHFFFAOYSA-N 1 2 278.319 1.845 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](OCC)C2CCCC2)CC1 ZINC001113166705 1162120748 /nfs/dbraw/zinc/12/07/48/1162120748.db2.gz RQSSOULBTYNQSW-OAHLLOKOSA-N 1 2 280.412 1.912 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2nccc(C)n2)cc1 ZINC001132215827 1163201357 /nfs/dbraw/zinc/20/13/57/1163201357.db2.gz NIRIMJRWGVLYKE-UHFFFAOYSA-N 1 2 294.358 1.286 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@H](O)C1 ZINC001090506848 1163610054 /nfs/dbraw/zinc/61/00/54/1163610054.db2.gz LWQVSPMZRGJVJI-MQLXINIDSA-N 1 2 298.814 1.336 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@H](O)C1 ZINC001090506848 1163610055 /nfs/dbraw/zinc/61/00/55/1163610055.db2.gz LWQVSPMZRGJVJI-MQLXINIDSA-N 1 2 298.814 1.336 20 30 CDEDLO Cc1cc(-c2nn[nH]n2)ccc1C[N@@H+](C)C[C@H](C)C#N ZINC001609388256 1164923957 /nfs/dbraw/zinc/92/39/57/1164923957.db2.gz TZJPDVNUNKHVHS-SNVBAGLBSA-N 1 2 270.340 1.767 20 30 CDEDLO Cc1cc(-c2nn[nH]n2)ccc1C[N@H+](C)C[C@H](C)C#N ZINC001609388256 1164923962 /nfs/dbraw/zinc/92/39/62/1164923962.db2.gz TZJPDVNUNKHVHS-SNVBAGLBSA-N 1 2 270.340 1.767 20 30 CDEDLO N#Cc1cccc([C@H](O)C[N@H+](C2CC2)C2COC2)c1 ZINC001643193120 1167234655 /nfs/dbraw/zinc/23/46/55/1167234655.db2.gz AGKQTCSZBXQCMF-OAHLLOKOSA-N 1 2 258.321 1.455 20 30 CDEDLO N#Cc1cccc([C@H](O)C[N@@H+](C2CC2)C2COC2)c1 ZINC001643193120 1167234662 /nfs/dbraw/zinc/23/46/62/1167234662.db2.gz AGKQTCSZBXQCMF-OAHLLOKOSA-N 1 2 258.321 1.455 20 30 CDEDLO COC(=O)c1c[nH]c2nc(-c3ccc(N)c(C#N)c3)[nH+]cc21 ZINC001244112348 1167407223 /nfs/dbraw/zinc/40/72/23/1167407223.db2.gz MPEDLGHPFMOQGI-UHFFFAOYSA-N 1 2 293.286 1.817 20 30 CDEDLO Cc1cc(C)c(C#N)c(N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)n1 ZINC001646639375 1168010136 /nfs/dbraw/zinc/01/01/36/1168010136.db2.gz YRSGUIJPEDTRPF-HIFRSBDPSA-N 1 2 287.411 1.616 20 30 CDEDLO Cc1cc(C)c(C#N)c(N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)n1 ZINC001646639375 1168010142 /nfs/dbraw/zinc/01/01/42/1168010142.db2.gz YRSGUIJPEDTRPF-HIFRSBDPSA-N 1 2 287.411 1.616 20 30 CDEDLO C#CCCCCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1c[nH]nn1 ZINC001574867804 1171030905 /nfs/dbraw/zinc/03/09/05/1171030905.db2.gz YZHLDZNHHMDVKI-QWHCGFSZSA-N 1 2 291.399 1.371 20 30 CDEDLO C#CCCCCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cn[nH]n1 ZINC001574867804 1171030912 /nfs/dbraw/zinc/03/09/12/1171030912.db2.gz YZHLDZNHHMDVKI-QWHCGFSZSA-N 1 2 291.399 1.371 20 30 CDEDLO C=C[C@@H](COC)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001588525786 1173076083 /nfs/dbraw/zinc/07/60/83/1173076083.db2.gz KRKXCPPYEFAZPJ-UWVGGRQHSA-N 1 2 289.339 1.424 20 30 CDEDLO C=C(C)CCC(=O)NC[C@H]1CCC[N@H+](Cc2cnon2)C1 ZINC001752784231 1184912064 /nfs/dbraw/zinc/91/20/64/1184912064.db2.gz XWJTZONVZVSNGS-CYBMUJFWSA-N 1 2 292.383 1.754 20 30 CDEDLO C=C(C)CCC(=O)NC[C@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC001752784231 1184912068 /nfs/dbraw/zinc/91/20/68/1184912068.db2.gz XWJTZONVZVSNGS-CYBMUJFWSA-N 1 2 292.383 1.754 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[N@@H+](C)Cc2cc(C)no2)C1 ZINC001753062974 1185032466 /nfs/dbraw/zinc/03/24/66/1185032466.db2.gz DJMKJDDWJQOHRI-UHFFFAOYSA-N 1 2 277.368 1.887 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[N@H+](C)Cc2cc(C)no2)C1 ZINC001753062974 1185032470 /nfs/dbraw/zinc/03/24/70/1185032470.db2.gz DJMKJDDWJQOHRI-UHFFFAOYSA-N 1 2 277.368 1.887 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](CCNC(=O)C(F)C(F)(F)F)C1 ZINC001753332963 1185160023 /nfs/dbraw/zinc/16/00/23/1185160023.db2.gz ZARTWFWSXQGQDZ-WDEREUQCSA-N 1 2 294.292 1.738 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001753332963 1185160026 /nfs/dbraw/zinc/16/00/26/1185160026.db2.gz ZARTWFWSXQGQDZ-WDEREUQCSA-N 1 2 294.292 1.738 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](CCNC(=O)C(F)C(F)(F)F)C1 ZINC001753332963 1185160022 /nfs/dbraw/zinc/16/00/22/1185160022.db2.gz ZARTWFWSXQGQDZ-WDEREUQCSA-N 1 2 294.292 1.738 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@@H](CC)[NH2+]Cc1nnc(CC)o1 ZINC001753482781 1185230490 /nfs/dbraw/zinc/23/04/90/1185230490.db2.gz GHQCJKSNVHLDEZ-LLVKDONJSA-N 1 2 294.399 1.829 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)CC(C)C)C1 ZINC001753647518 1185285897 /nfs/dbraw/zinc/28/58/97/1185285897.db2.gz NHFUNVQNQVLFCS-CYBMUJFWSA-N 1 2 254.374 1.426 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)CC(C)C)C1 ZINC001753647518 1185285903 /nfs/dbraw/zinc/28/59/03/1185285903.db2.gz NHFUNVQNQVLFCS-CYBMUJFWSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)c2cccs2)C1 ZINC001753653643 1185289343 /nfs/dbraw/zinc/28/93/43/1185289343.db2.gz FNJWKEKKJVQUAE-STQMWFEESA-N 1 2 294.420 1.855 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)c2cccs2)C1 ZINC001753653643 1185289350 /nfs/dbraw/zinc/28/93/50/1185289350.db2.gz FNJWKEKKJVQUAE-STQMWFEESA-N 1 2 294.420 1.855 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](CC)c1c(C)noc1C ZINC001754497126 1185642870 /nfs/dbraw/zinc/64/28/70/1185642870.db2.gz JJORPFPWZZVHEE-UONOGXRCSA-N 1 2 289.379 1.609 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](CC)c1c(C)noc1C ZINC001754497126 1185642874 /nfs/dbraw/zinc/64/28/74/1185642874.db2.gz JJORPFPWZZVHEE-UONOGXRCSA-N 1 2 289.379 1.609 20 30 CDEDLO C=CCCC(=O)NCC1([NH2+]Cc2nocc2C)CC1 ZINC001754509597 1185650277 /nfs/dbraw/zinc/65/02/77/1185650277.db2.gz ODSIXCRNTJNIBO-UHFFFAOYSA-N 1 2 263.341 1.688 20 30 CDEDLO CC(C)OCC(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1 ZINC001754547678 1185664352 /nfs/dbraw/zinc/66/43/52/1185664352.db2.gz MSSJLIUGDYHCME-UHFFFAOYSA-N 1 2 293.411 1.638 20 30 CDEDLO CC(C)OCC(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1 ZINC001754547678 1185664356 /nfs/dbraw/zinc/66/43/56/1185664356.db2.gz MSSJLIUGDYHCME-UHFFFAOYSA-N 1 2 293.411 1.638 20 30 CDEDLO C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001754969197 1185773323 /nfs/dbraw/zinc/77/33/23/1185773323.db2.gz SQFVOHNPBKDYFW-CYBMUJFWSA-N 1 2 295.358 1.551 20 30 CDEDLO C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001754969197 1185773328 /nfs/dbraw/zinc/77/33/28/1185773328.db2.gz SQFVOHNPBKDYFW-CYBMUJFWSA-N 1 2 295.358 1.551 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCCN(CC#N)CC1 ZINC001755029161 1185790972 /nfs/dbraw/zinc/79/09/72/1185790972.db2.gz MBBPUAMOHZXNJS-OLZOCXBDSA-N 1 2 289.383 1.083 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCCN(CC#N)CC1 ZINC001755029161 1185790979 /nfs/dbraw/zinc/79/09/79/1185790979.db2.gz MBBPUAMOHZXNJS-OLZOCXBDSA-N 1 2 289.383 1.083 20 30 CDEDLO CC(C)C#CC(=O)N[C@H]1CC[N@H+](Cc2ccon2)[C@H](C)C1 ZINC001755161256 1185835440 /nfs/dbraw/zinc/83/54/40/1185835440.db2.gz VNOMOUGMFJRFMS-KGLIPLIRSA-N 1 2 289.379 1.803 20 30 CDEDLO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](Cc2ccon2)[C@H](C)C1 ZINC001755161256 1185835446 /nfs/dbraw/zinc/83/54/46/1185835446.db2.gz VNOMOUGMFJRFMS-KGLIPLIRSA-N 1 2 289.379 1.803 20 30 CDEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)C2=CCCC2)C1 ZINC001755332091 1185922101 /nfs/dbraw/zinc/92/21/01/1185922101.db2.gz PFRJQUUCQFCYNO-UHFFFAOYSA-N 1 2 264.369 1.226 20 30 CDEDLO C[C@H](CCC[NH2+]CC(F)(F)C(F)F)NC(=O)[C@@H](C)C#N ZINC001755490480 1185969698 /nfs/dbraw/zinc/96/96/98/1185969698.db2.gz RAYJDKXTFLHRLN-DTWKUNHWSA-N 1 2 297.296 1.921 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3coc(C)n3)C[C@H]21 ZINC001114352959 1164499181 /nfs/dbraw/zinc/49/91/81/1164499181.db2.gz KFQRJFNHTCZVCF-FOLVSLTJSA-N 1 2 289.379 1.886 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3coc(C)n3)C[C@H]21 ZINC001114352959 1164499184 /nfs/dbraw/zinc/49/91/84/1164499184.db2.gz KFQRJFNHTCZVCF-FOLVSLTJSA-N 1 2 289.379 1.886 20 30 CDEDLO COCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029177847 758884723 /nfs/dbraw/zinc/88/47/23/758884723.db2.gz NSNFHEKJRQJITJ-CALCHBBNSA-N 1 2 298.386 1.360 20 30 CDEDLO COCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029177847 758884724 /nfs/dbraw/zinc/88/47/24/758884724.db2.gz NSNFHEKJRQJITJ-CALCHBBNSA-N 1 2 298.386 1.360 20 30 CDEDLO C[N@H+](CCc1ccc(C#N)cc1)CCS(C)(=O)=O ZINC000851749536 758895352 /nfs/dbraw/zinc/89/53/52/758895352.db2.gz GLRPHXZNBYKZPF-UHFFFAOYSA-N 1 2 266.366 1.077 20 30 CDEDLO C[N@@H+](CCc1ccc(C#N)cc1)CCS(C)(=O)=O ZINC000851749536 758895355 /nfs/dbraw/zinc/89/53/55/758895355.db2.gz GLRPHXZNBYKZPF-UHFFFAOYSA-N 1 2 266.366 1.077 20 30 CDEDLO COc1ccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1C#N ZINC000830413230 758928431 /nfs/dbraw/zinc/92/84/31/758928431.db2.gz KUVPUXFSSARLFR-LLVKDONJSA-N 1 2 296.330 1.964 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)nc1C ZINC001039046598 758979251 /nfs/dbraw/zinc/97/92/51/758979251.db2.gz ZLCXWVRERMNNCH-ZDUSSCGKSA-N 1 2 257.337 1.136 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)nc1C ZINC001039046598 758979264 /nfs/dbraw/zinc/97/92/64/758979264.db2.gz ZLCXWVRERMNNCH-ZDUSSCGKSA-N 1 2 257.337 1.136 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC(=O)N2C(C)C)C1 ZINC001043622163 759010935 /nfs/dbraw/zinc/01/09/35/759010935.db2.gz NGTLTGRWSBTBSP-AWEZNQCLSA-N 1 2 293.411 1.105 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccccc2N(C)C(C)=O)C1 ZINC001030763444 759014915 /nfs/dbraw/zinc/01/49/15/759014915.db2.gz ARWCXJRLBCAFBT-UHFFFAOYSA-N 1 2 299.374 1.107 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C#Cc1cccs1 ZINC000874712166 759016079 /nfs/dbraw/zinc/01/60/79/759016079.db2.gz UYDLHIRYISOGLJ-ZDUSSCGKSA-N 1 2 292.404 1.327 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)C#Cc1cccs1 ZINC000874712166 759016089 /nfs/dbraw/zinc/01/60/89/759016089.db2.gz UYDLHIRYISOGLJ-ZDUSSCGKSA-N 1 2 292.404 1.327 20 30 CDEDLO C#C[C@](C)(CC)[NH2+][C@H](C)c1nc(N)nc(Cl)n1 ZINC000852103380 759026563 /nfs/dbraw/zinc/02/65/63/759026563.db2.gz FZYBZIYROTZJJS-RDDDGLTNSA-N 1 2 253.737 1.560 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccsc2)C1 ZINC001035279863 770871674 /nfs/dbraw/zinc/87/16/74/770871674.db2.gz RBLBNWIQMNNZDZ-CYBMUJFWSA-N 1 2 278.377 1.202 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccsc2)C1 ZINC001035279863 770871686 /nfs/dbraw/zinc/87/16/86/770871686.db2.gz RBLBNWIQMNNZDZ-CYBMUJFWSA-N 1 2 278.377 1.202 20 30 CDEDLO C=CCCC(=O)N(C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001066988627 768828061 /nfs/dbraw/zinc/82/80/61/768828061.db2.gz VBTJJJAJOWAHQN-UHFFFAOYSA-N 1 2 292.383 1.156 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=C)Cl)C2)cn1 ZINC001016027018 768854141 /nfs/dbraw/zinc/85/41/41/768854141.db2.gz LEJPUUMWMMHOAC-AWEZNQCLSA-N 1 2 289.766 1.620 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=C)Cl)C2)cn1 ZINC001016027018 768854146 /nfs/dbraw/zinc/85/41/46/768854146.db2.gz LEJPUUMWMMHOAC-AWEZNQCLSA-N 1 2 289.766 1.620 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1c[nH+]cn1C ZINC001032562824 768869534 /nfs/dbraw/zinc/86/95/34/768869534.db2.gz FQZZQSBPZPVORM-STQMWFEESA-N 1 2 288.395 1.417 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncc(OC)cc1F ZINC001038321591 768883896 /nfs/dbraw/zinc/88/38/96/768883896.db2.gz JJXZCPIQKRXUHP-LLVKDONJSA-N 1 2 291.326 1.057 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncc(OC)cc1F ZINC001038321591 768883897 /nfs/dbraw/zinc/88/38/97/768883897.db2.gz JJXZCPIQKRXUHP-LLVKDONJSA-N 1 2 291.326 1.057 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(Br)c[nH]1 ZINC001038491125 768896131 /nfs/dbraw/zinc/89/61/31/768896131.db2.gz GEOQDNXLRXHCQF-SNVBAGLBSA-N 1 2 296.168 1.215 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Br)c[nH]1 ZINC001038491125 768896132 /nfs/dbraw/zinc/89/61/32/768896132.db2.gz GEOQDNXLRXHCQF-SNVBAGLBSA-N 1 2 296.168 1.215 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccco2)C1 ZINC001073503631 768899575 /nfs/dbraw/zinc/89/95/75/768899575.db2.gz KQUQICRCTIVXQU-LBPRGKRZSA-N 1 2 298.770 1.853 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccco2)C1 ZINC001073503631 768899576 /nfs/dbraw/zinc/89/95/76/768899576.db2.gz KQUQICRCTIVXQU-LBPRGKRZSA-N 1 2 298.770 1.853 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccoc2)C1 ZINC001073533860 768995561 /nfs/dbraw/zinc/99/55/61/768995561.db2.gz NQUKGIJQRQMSQV-ZDUSSCGKSA-N 1 2 298.770 1.853 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccoc2)C1 ZINC001073533860 768995584 /nfs/dbraw/zinc/99/55/84/768995584.db2.gz NQUKGIJQRQMSQV-ZDUSSCGKSA-N 1 2 298.770 1.853 20 30 CDEDLO COCC#CCOC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848781186 769031230 /nfs/dbraw/zinc/03/12/30/769031230.db2.gz FFXMHDWAJVXBGP-UHFFFAOYSA-N 1 2 258.277 1.449 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn(C(C)C)n1 ZINC001038768801 769041567 /nfs/dbraw/zinc/04/15/67/769041567.db2.gz SCRLPHFBXHRYSS-ZDUSSCGKSA-N 1 2 274.368 1.291 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccn(C(C)C)n1 ZINC001038768801 769041581 /nfs/dbraw/zinc/04/15/81/769041581.db2.gz SCRLPHFBXHRYSS-ZDUSSCGKSA-N 1 2 274.368 1.291 20 30 CDEDLO Cc1conc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001075616485 769045180 /nfs/dbraw/zinc/04/51/80/769045180.db2.gz UOLLYJBLWZBMKP-VHRBIJSZSA-N 1 2 288.351 1.175 20 30 CDEDLO Cc1conc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001075616485 769045197 /nfs/dbraw/zinc/04/51/97/769045197.db2.gz UOLLYJBLWZBMKP-VHRBIJSZSA-N 1 2 288.351 1.175 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC2(F)F)C1 ZINC001033063418 769045986 /nfs/dbraw/zinc/04/59/86/769045986.db2.gz AQLCOEIBNLRAFR-NXEZZACHSA-N 1 2 278.730 1.927 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC2(F)F)C1 ZINC001033063418 769045998 /nfs/dbraw/zinc/04/59/98/769045998.db2.gz AQLCOEIBNLRAFR-NXEZZACHSA-N 1 2 278.730 1.927 20 30 CDEDLO C=CCONC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000838709947 769125257 /nfs/dbraw/zinc/12/52/57/769125257.db2.gz QEVYEBUFEIEQMF-UHFFFAOYSA-N 1 2 280.372 1.985 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CC(C)(F)F)CCO2 ZINC001053414808 769177335 /nfs/dbraw/zinc/17/73/35/769177335.db2.gz TUELSDHZGUVKDA-UHFFFAOYSA-N 1 2 288.338 1.521 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cc(C)n1 ZINC001032490239 769208898 /nfs/dbraw/zinc/20/88/98/769208898.db2.gz IEVVFBVNTASHCU-GJZGRUSLSA-N 1 2 283.375 1.620 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cc(C)n1 ZINC001032490239 769208905 /nfs/dbraw/zinc/20/89/05/769208905.db2.gz IEVVFBVNTASHCU-GJZGRUSLSA-N 1 2 283.375 1.620 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H](C)CO1 ZINC001017753948 769374680 /nfs/dbraw/zinc/37/46/80/769374680.db2.gz SJYHZPBECREOKG-APIJFGDWSA-N 1 2 276.380 1.110 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H](C)CO1 ZINC001017753948 769374692 /nfs/dbraw/zinc/37/46/92/769374692.db2.gz SJYHZPBECREOKG-APIJFGDWSA-N 1 2 276.380 1.110 20 30 CDEDLO N#CCc1ccccc1CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000777400408 769379488 /nfs/dbraw/zinc/37/94/88/769379488.db2.gz XMWQEGKITDOWSZ-UHFFFAOYSA-N 1 2 280.331 1.575 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1nc[nH]n1 ZINC001049797303 769397101 /nfs/dbraw/zinc/39/71/01/769397101.db2.gz HHHYKLWSDGBLHC-MNOVXSKESA-N 1 2 295.774 1.236 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1nc[nH]n1 ZINC001049797303 769397113 /nfs/dbraw/zinc/39/71/13/769397113.db2.gz HHHYKLWSDGBLHC-MNOVXSKESA-N 1 2 295.774 1.236 20 30 CDEDLO C#CC(C)(C)[N@H+](C)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000794575490 769418202 /nfs/dbraw/zinc/41/82/02/769418202.db2.gz XXBREJPGFGBSSF-UHFFFAOYSA-N 1 2 288.307 1.612 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000794575490 769418213 /nfs/dbraw/zinc/41/82/13/769418213.db2.gz XXBREJPGFGBSSF-UHFFFAOYSA-N 1 2 288.307 1.612 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2oc(C)cc2C)C1 ZINC001035322944 769428893 /nfs/dbraw/zinc/42/88/93/769428893.db2.gz IPEZSEVLJQPTHG-CYBMUJFWSA-N 1 2 278.352 1.513 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2oc(C)cc2C)C1 ZINC001035322944 769428916 /nfs/dbraw/zinc/42/89/16/769428916.db2.gz IPEZSEVLJQPTHG-CYBMUJFWSA-N 1 2 278.352 1.513 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(Cl)cnn2CC)C1 ZINC001042787158 769467393 /nfs/dbraw/zinc/46/73/93/769467393.db2.gz GNGZLNIMKBFADG-UHFFFAOYSA-N 1 2 294.786 1.336 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cn2cc(C3CC3)cn2)C1 ZINC001043163103 769502111 /nfs/dbraw/zinc/50/21/11/769502111.db2.gz KAVJIWVCJNCVKX-UHFFFAOYSA-N 1 2 288.395 1.479 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC1(F)F ZINC001032469131 769548597 /nfs/dbraw/zinc/54/85/97/769548597.db2.gz XJNBFVNMTPUGNL-SDDRHHMPSA-N 1 2 268.307 1.340 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC1(F)F ZINC001032469131 769548625 /nfs/dbraw/zinc/54/86/25/769548625.db2.gz XJNBFVNMTPUGNL-SDDRHHMPSA-N 1 2 268.307 1.340 20 30 CDEDLO C#Cc1cccnc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000853117880 769555942 /nfs/dbraw/zinc/55/59/42/769555942.db2.gz ALLUQBJLDXIXNB-UHFFFAOYSA-N 1 2 278.359 1.780 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2nocc2C)C1 ZINC001033561151 769561185 /nfs/dbraw/zinc/56/11/85/769561185.db2.gz DFOKBQCMGXFMMY-LLVKDONJSA-N 1 2 283.759 1.882 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2nocc2C)C1 ZINC001033561151 769561209 /nfs/dbraw/zinc/56/12/09/769561209.db2.gz DFOKBQCMGXFMMY-LLVKDONJSA-N 1 2 283.759 1.882 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1CCC ZINC001032732946 769624242 /nfs/dbraw/zinc/62/42/42/769624242.db2.gz YMBDPMAMUVWXSY-STQMWFEESA-N 1 2 272.348 1.764 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1CCC ZINC001032732946 769624260 /nfs/dbraw/zinc/62/42/60/769624260.db2.gz YMBDPMAMUVWXSY-STQMWFEESA-N 1 2 272.348 1.764 20 30 CDEDLO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2[nH]nnc2c1 ZINC001032777122 769673992 /nfs/dbraw/zinc/67/39/92/769673992.db2.gz ONTXUBXIPWCJKS-STQMWFEESA-N 1 2 297.362 1.433 20 30 CDEDLO C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2[nH]nnc2c1 ZINC001032777122 769674017 /nfs/dbraw/zinc/67/40/17/769674017.db2.gz ONTXUBXIPWCJKS-STQMWFEESA-N 1 2 297.362 1.433 20 30 CDEDLO C=C(CC)CNC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875651986 769770359 /nfs/dbraw/zinc/77/03/59/769770359.db2.gz YUBKMYZIJNNCHX-CYBMUJFWSA-N 1 2 269.389 1.363 20 30 CDEDLO C=C(CC)CNC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875651986 769770385 /nfs/dbraw/zinc/77/03/85/769770385.db2.gz YUBKMYZIJNNCHX-CYBMUJFWSA-N 1 2 269.389 1.363 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@]2(c3ccccc3)CCCO2)C1 ZINC001031311454 769794166 /nfs/dbraw/zinc/79/41/66/769794166.db2.gz RYOGGXIFMZTWMU-SFHVURJKSA-N 1 2 298.386 1.516 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c1CCC2 ZINC001032812407 769836552 /nfs/dbraw/zinc/83/65/52/769836552.db2.gz BYDHMUBGNDCBDT-GJZGRUSLSA-N 1 2 280.371 1.707 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c1CCC2 ZINC001032812407 769836554 /nfs/dbraw/zinc/83/65/54/769836554.db2.gz BYDHMUBGNDCBDT-GJZGRUSLSA-N 1 2 280.371 1.707 20 30 CDEDLO Cc1cc2c(cc1NC[C@@H](O)C[N@H+](C)CCC#N)OCO2 ZINC000819468915 769843292 /nfs/dbraw/zinc/84/32/92/769843292.db2.gz VEYRDUUPRADYRD-GFCCVEGCSA-N 1 2 291.351 1.342 20 30 CDEDLO Cc1cc2c(cc1NC[C@@H](O)C[N@@H+](C)CCC#N)OCO2 ZINC000819468915 769843293 /nfs/dbraw/zinc/84/32/93/769843293.db2.gz VEYRDUUPRADYRD-GFCCVEGCSA-N 1 2 291.351 1.342 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@]23CCO[C@H]2CCCC3)C1 ZINC001030661862 769875514 /nfs/dbraw/zinc/87/55/14/769875514.db2.gz MLIYOWSJNNTJNM-HOCLYGCPSA-N 1 2 278.396 1.712 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(-n2cccc2)cc1 ZINC001038469233 769897058 /nfs/dbraw/zinc/89/70/58/769897058.db2.gz QVKZCTDSKLFIMU-KRWDZBQOSA-N 1 2 293.370 1.915 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-n2cccc2)cc1 ZINC001038469233 769897059 /nfs/dbraw/zinc/89/70/59/769897059.db2.gz QVKZCTDSKLFIMU-KRWDZBQOSA-N 1 2 293.370 1.915 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1csnc1C ZINC001038178756 769971401 /nfs/dbraw/zinc/97/14/01/769971401.db2.gz CGAMEBJWXZEGML-JTQLQIEISA-N 1 2 251.355 1.442 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1csnc1C ZINC001038178756 769971459 /nfs/dbraw/zinc/97/14/59/769971459.db2.gz CGAMEBJWXZEGML-JTQLQIEISA-N 1 2 251.355 1.442 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CCOC2(C[NH+](CCC)C2)C1 ZINC001053411347 769988921 /nfs/dbraw/zinc/98/89/21/769988921.db2.gz KEKYCEMJBIUSTL-OAHLLOKOSA-N 1 2 280.412 1.912 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001031332112 770060972 /nfs/dbraw/zinc/06/09/72/770060972.db2.gz RACVNTIMCTUNKR-UHFFFAOYSA-N 1 2 269.348 1.396 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2Cc3cccnc3C2)C1 ZINC001031312684 770078391 /nfs/dbraw/zinc/07/83/91/770078391.db2.gz PPWQZNDDAXXWSB-ZDUSSCGKSA-N 1 2 271.364 1.173 20 30 CDEDLO COc1cccc([C@@H]2CN(C(=O)C#CC(C)C)CC[NH2+]2)c1 ZINC000870152666 770079672 /nfs/dbraw/zinc/07/96/72/770079672.db2.gz CITGGCJBOGYCBY-INIZCTEOSA-N 1 2 286.375 1.828 20 30 CDEDLO Cc1ccc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)nn1 ZINC000862422673 770087290 /nfs/dbraw/zinc/08/72/90/770087290.db2.gz GDSSMDRSXFDGJX-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cncn2C)[C@@H]1C ZINC000993535973 770253839 /nfs/dbraw/zinc/25/38/39/770253839.db2.gz JXSDBMVBIDMARS-RYUDHWBXSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cncn2C)[C@@H]1C ZINC000993535973 770253889 /nfs/dbraw/zinc/25/38/89/770253889.db2.gz JXSDBMVBIDMARS-RYUDHWBXSA-N 1 2 296.802 1.755 20 30 CDEDLO C#CCC[C@H](O)CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000798421633 770319341 /nfs/dbraw/zinc/31/93/41/770319341.db2.gz UIKABXGKOALAMB-ZDUSSCGKSA-N 1 2 274.368 1.653 20 30 CDEDLO C#CCC[C@H](O)CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000798421633 770319359 /nfs/dbraw/zinc/31/93/59/770319359.db2.gz UIKABXGKOALAMB-ZDUSSCGKSA-N 1 2 274.368 1.653 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001038332929 770367503 /nfs/dbraw/zinc/36/75/03/770367503.db2.gz IGCHHMSTEWLOGQ-QWRGUYRKSA-N 1 2 256.296 1.246 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001038332929 770367487 /nfs/dbraw/zinc/36/74/87/770367487.db2.gz IGCHHMSTEWLOGQ-QWRGUYRKSA-N 1 2 256.296 1.246 20 30 CDEDLO C#CCC[NH+]1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000809353136 770559409 /nfs/dbraw/zinc/55/94/09/770559409.db2.gz QOZFPSMWMPBFRV-UHFFFAOYSA-N 1 2 294.742 1.789 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(CC)nc1C ZINC001038754159 770798384 /nfs/dbraw/zinc/79/83/84/770798384.db2.gz QGAWGKQQUIFZRX-ZDUSSCGKSA-N 1 2 274.368 1.039 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(CC)nc1C ZINC001038754159 770798416 /nfs/dbraw/zinc/79/84/16/770798416.db2.gz QGAWGKQQUIFZRX-ZDUSSCGKSA-N 1 2 274.368 1.039 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCS[C@H]1C ZINC000844117277 770802170 /nfs/dbraw/zinc/80/21/70/770802170.db2.gz WWYCHJXIOMOJFG-TUAOUCFPSA-N 1 2 252.383 1.094 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCS[C@H]1C ZINC000844117277 770802173 /nfs/dbraw/zinc/80/21/73/770802173.db2.gz WWYCHJXIOMOJFG-TUAOUCFPSA-N 1 2 252.383 1.094 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2cc(C)ccc2O1 ZINC001038521897 770814027 /nfs/dbraw/zinc/81/40/27/770814027.db2.gz ZNRNCQXHODLFMA-DOTOQJQBSA-N 1 2 298.386 1.512 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2cc(C)ccc2O1 ZINC001038521897 770814032 /nfs/dbraw/zinc/81/40/32/770814032.db2.gz ZNRNCQXHODLFMA-DOTOQJQBSA-N 1 2 298.386 1.512 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCO[C@@H](CC)C2)C1 ZINC001044152122 770825940 /nfs/dbraw/zinc/82/59/40/770825940.db2.gz JYLYXQWGYCHEKO-HIFRSBDPSA-N 1 2 280.412 1.910 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C2(c3cccc(OC)c3)CC2)C1 ZINC001031027573 770846164 /nfs/dbraw/zinc/84/61/64/770846164.db2.gz KEMARXNCMAEBJQ-UHFFFAOYSA-N 1 2 298.386 1.551 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@H](Cc2ccccc2)CC1=O ZINC000872600763 770857283 /nfs/dbraw/zinc/85/72/83/770857283.db2.gz IZRLJOUGXOCITF-GOEBONIOSA-N 1 2 270.376 1.989 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@H](Cc2ccccc2)CC1=O ZINC000872600763 770857284 /nfs/dbraw/zinc/85/72/84/770857284.db2.gz IZRLJOUGXOCITF-GOEBONIOSA-N 1 2 270.376 1.989 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n(C)c1C ZINC001018251153 770881481 /nfs/dbraw/zinc/88/14/81/770881481.db2.gz BZAQHRXAJKZVRY-GASCZTMLSA-N 1 2 285.391 1.564 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n(C)c1C ZINC001018251153 770881482 /nfs/dbraw/zinc/88/14/82/770881482.db2.gz BZAQHRXAJKZVRY-GASCZTMLSA-N 1 2 285.391 1.564 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC[C@H](F)C2)C1 ZINC001031928367 770890183 /nfs/dbraw/zinc/89/01/83/770890183.db2.gz OFPBASVEPHJBKS-NEPJUHHUSA-N 1 2 274.767 1.925 20 30 CDEDLO C#Cc1cncc(C(=O)NC2C[NH+](C[C@H]3CC[C@H](C)O3)C2)c1 ZINC001030928425 770890767 /nfs/dbraw/zinc/89/07/67/770890767.db2.gz SHAHDLDSHLISMN-BLLLJJGKSA-N 1 2 299.374 1.044 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc(-c2ccco2)c1 ZINC001038391504 770929575 /nfs/dbraw/zinc/92/95/75/770929575.db2.gz ZVARPVFZIMOFNX-AWEZNQCLSA-N 1 2 295.342 1.779 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc(-c2ccco2)c1 ZINC001038391504 770929606 /nfs/dbraw/zinc/92/96/06/770929606.db2.gz ZVARPVFZIMOFNX-AWEZNQCLSA-N 1 2 295.342 1.779 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccncn1 ZINC001024717969 771011127 /nfs/dbraw/zinc/01/11/27/771011127.db2.gz KKNSNSCNUAMDCE-LBPRGKRZSA-N 1 2 294.786 1.813 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccncn1 ZINC001024717969 771011132 /nfs/dbraw/zinc/01/11/32/771011132.db2.gz KKNSNSCNUAMDCE-LBPRGKRZSA-N 1 2 294.786 1.813 20 30 CDEDLO C=CC[N@@H+](CCC#N)Cc1cc2c(cc1O)OC[C@H]2O ZINC000793559481 771042403 /nfs/dbraw/zinc/04/24/03/771042403.db2.gz BDIXAXWHHZLJFK-CQSZACIVSA-N 1 2 274.320 1.720 20 30 CDEDLO C=CC[N@H+](CCC#N)Cc1cc2c(cc1O)OC[C@H]2O ZINC000793559481 771042415 /nfs/dbraw/zinc/04/24/15/771042415.db2.gz BDIXAXWHHZLJFK-CQSZACIVSA-N 1 2 274.320 1.720 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cn3c(n2)CC[C@@H](C)C3)C1 ZINC001030521992 771051090 /nfs/dbraw/zinc/05/10/90/771051090.db2.gz PLKAGCPOIZXOJT-GFCCVEGCSA-N 1 2 288.395 1.456 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2ncc[nH]2)[C@H]1C ZINC000994090684 771099109 /nfs/dbraw/zinc/09/91/09/771099109.db2.gz GMXVKFDXHBZXPC-VXGBXAGGSA-N 1 2 296.802 1.674 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ncc[nH]2)[C@H]1C ZINC000994090684 771099119 /nfs/dbraw/zinc/09/91/19/771099119.db2.gz GMXVKFDXHBZXPC-VXGBXAGGSA-N 1 2 296.802 1.674 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cncc(C)c1 ZINC001050859725 771131486 /nfs/dbraw/zinc/13/14/86/771131486.db2.gz UYUHFUQIFGODBD-OAHLLOKOSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cncc(C)c1 ZINC001050859725 771131493 /nfs/dbraw/zinc/13/14/93/771131493.db2.gz UYUHFUQIFGODBD-OAHLLOKOSA-N 1 2 289.379 1.397 20 30 CDEDLO CC#CC[N@@H+]1CC[C@](C)(NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001046440815 771133035 /nfs/dbraw/zinc/13/30/35/771133035.db2.gz VQLYSTSZLSWVKG-INIZCTEOSA-N 1 2 286.379 1.116 20 30 CDEDLO CC#CC[N@H+]1CC[C@](C)(NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001046440815 771133042 /nfs/dbraw/zinc/13/30/42/771133042.db2.gz VQLYSTSZLSWVKG-INIZCTEOSA-N 1 2 286.379 1.116 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1 ZINC001017579227 771139838 /nfs/dbraw/zinc/13/98/38/771139838.db2.gz FRPADLPDACJPFW-OKILXGFUSA-N 1 2 257.337 1.327 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1 ZINC001017579227 771139845 /nfs/dbraw/zinc/13/98/45/771139845.db2.gz FRPADLPDACJPFW-OKILXGFUSA-N 1 2 257.337 1.327 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(CC)o2)C1 ZINC001035417049 771160920 /nfs/dbraw/zinc/16/09/20/771160920.db2.gz RHPAMXWTLKEJEQ-CQSZACIVSA-N 1 2 292.379 1.849 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(CC)o2)C1 ZINC001035417049 771160923 /nfs/dbraw/zinc/16/09/23/771160923.db2.gz RHPAMXWTLKEJEQ-CQSZACIVSA-N 1 2 292.379 1.849 20 30 CDEDLO C=C(Br)C[N@H+](C)C[C@H]1COCCO1 ZINC000852494371 771163193 /nfs/dbraw/zinc/16/31/93/771163193.db2.gz CEZNOBCFWHIOHM-VIFPVBQESA-N 1 2 250.136 1.242 20 30 CDEDLO C=C(Br)C[N@@H+](C)C[C@H]1COCCO1 ZINC000852494371 771163201 /nfs/dbraw/zinc/16/32/01/771163201.db2.gz CEZNOBCFWHIOHM-VIFPVBQESA-N 1 2 250.136 1.242 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2C)C1 ZINC001010195731 771168792 /nfs/dbraw/zinc/16/87/92/771168792.db2.gz NKGJWBFPJCKBTF-LLVKDONJSA-N 1 2 282.775 1.285 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2C)C1 ZINC001010195731 771168799 /nfs/dbraw/zinc/16/87/99/771168799.db2.gz NKGJWBFPJCKBTF-LLVKDONJSA-N 1 2 282.775 1.285 20 30 CDEDLO C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001007645146 771180802 /nfs/dbraw/zinc/18/08/02/771180802.db2.gz LRESCBGBGMTFGM-UONOGXRCSA-N 1 2 265.401 1.237 20 30 CDEDLO C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001007645146 771180806 /nfs/dbraw/zinc/18/08/06/771180806.db2.gz LRESCBGBGMTFGM-UONOGXRCSA-N 1 2 265.401 1.237 20 30 CDEDLO C=CCN1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001007645146 771180819 /nfs/dbraw/zinc/18/08/19/771180819.db2.gz LRESCBGBGMTFGM-UONOGXRCSA-N 1 2 265.401 1.237 20 30 CDEDLO C=CCN1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001007645146 771180829 /nfs/dbraw/zinc/18/08/29/771180829.db2.gz LRESCBGBGMTFGM-UONOGXRCSA-N 1 2 265.401 1.237 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccccc2n1C ZINC001032593114 771233677 /nfs/dbraw/zinc/23/36/77/771233677.db2.gz UQOMERVKNBHYFU-GJZGRUSLSA-N 1 2 293.370 1.710 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccccc2n1C ZINC001032593114 771233705 /nfs/dbraw/zinc/23/37/05/771233705.db2.gz UQOMERVKNBHYFU-GJZGRUSLSA-N 1 2 293.370 1.710 20 30 CDEDLO CC(C)C#CC(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000854949385 771266968 /nfs/dbraw/zinc/26/69/68/771266968.db2.gz SXPMPKVBXYBWMA-UHFFFAOYSA-N 1 2 266.385 1.215 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1occc1C)CO2 ZINC001053741066 771308495 /nfs/dbraw/zinc/30/84/95/771308495.db2.gz ZSRMQTNQYYANKJ-CYBMUJFWSA-N 1 2 288.347 1.184 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2ccc3cnccc3c2)C1 ZINC001030668807 771308945 /nfs/dbraw/zinc/30/89/45/771308945.db2.gz HCFTVURRXQPZIJ-UHFFFAOYSA-N 1 2 281.359 1.764 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)n1ccc(C)n1 ZINC001032558720 771320342 /nfs/dbraw/zinc/32/03/42/771320342.db2.gz FCCWUSSWKCJSNW-KKUMJFAQSA-N 1 2 286.379 1.061 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)n1ccc(C)n1 ZINC001032558720 771320346 /nfs/dbraw/zinc/32/03/46/771320346.db2.gz FCCWUSSWKCJSNW-KKUMJFAQSA-N 1 2 286.379 1.061 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1occc1C ZINC001050822704 771348446 /nfs/dbraw/zinc/34/84/46/771348446.db2.gz NJXMYYWVGWYHPK-AWEZNQCLSA-N 1 2 292.379 1.985 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1occc1C ZINC001050822704 771348456 /nfs/dbraw/zinc/34/84/56/771348456.db2.gz NJXMYYWVGWYHPK-AWEZNQCLSA-N 1 2 292.379 1.985 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCCOC2)C1 ZINC001016275140 771350259 /nfs/dbraw/zinc/35/02/59/771350259.db2.gz FDJSDKVBPQQRQD-QWHCGFSZSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCCOC2)C1 ZINC001016275140 771350267 /nfs/dbraw/zinc/35/02/67/771350267.db2.gz FDJSDKVBPQQRQD-QWHCGFSZSA-N 1 2 286.803 1.746 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(OC)ccc1OC ZINC001039001143 771389868 /nfs/dbraw/zinc/38/98/68/771389868.db2.gz BEROAYYHPJIJMP-GFCCVEGCSA-N 1 2 288.347 1.141 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(OC)ccc1OC ZINC001039001143 771389873 /nfs/dbraw/zinc/38/98/73/771389873.db2.gz BEROAYYHPJIJMP-GFCCVEGCSA-N 1 2 288.347 1.141 20 30 CDEDLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)CC(C)(C)C#N ZINC000842968733 771409124 /nfs/dbraw/zinc/40/91/24/771409124.db2.gz WAWSGDGKPNFMDU-QWHCGFSZSA-N 1 2 298.383 1.205 20 30 CDEDLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)CC(C)(C)C#N ZINC000842968733 771409126 /nfs/dbraw/zinc/40/91/26/771409126.db2.gz WAWSGDGKPNFMDU-QWHCGFSZSA-N 1 2 298.383 1.205 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2csc(C)n2)C1 ZINC001016192688 771418822 /nfs/dbraw/zinc/41/88/22/771418822.db2.gz OCDAFYRRPONMTR-NSHDSACASA-N 1 2 299.827 1.937 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2csc(C)n2)C1 ZINC001016192688 771418830 /nfs/dbraw/zinc/41/88/30/771418830.db2.gz OCDAFYRRPONMTR-NSHDSACASA-N 1 2 299.827 1.937 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccoc1)CO2 ZINC001053737538 771483059 /nfs/dbraw/zinc/48/30/59/771483059.db2.gz QATLVZUIUUXGRI-CYBMUJFWSA-N 1 2 276.336 1.429 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC1(F)F ZINC001050972796 771612401 /nfs/dbraw/zinc/61/24/01/771612401.db2.gz XSXLDBJSXZBVFN-RYUDHWBXSA-N 1 2 288.338 1.425 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC1(F)F ZINC001050972796 771612405 /nfs/dbraw/zinc/61/24/05/771612405.db2.gz XSXLDBJSXZBVFN-RYUDHWBXSA-N 1 2 288.338 1.425 20 30 CDEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](CCCF)C2)nc1 ZINC001044202986 771635103 /nfs/dbraw/zinc/63/51/03/771635103.db2.gz GNZIABKLCKLQLD-UHFFFAOYSA-N 1 2 275.327 1.179 20 30 CDEDLO COc1ccc(F)cc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000819462488 771725408 /nfs/dbraw/zinc/72/54/08/771725408.db2.gz IGLBABGPDOSZCB-LBPRGKRZSA-N 1 2 281.331 1.453 20 30 CDEDLO COc1ccc(F)cc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000819462488 771725417 /nfs/dbraw/zinc/72/54/17/771725417.db2.gz IGLBABGPDOSZCB-LBPRGKRZSA-N 1 2 281.331 1.453 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cn2ncc3ccccc32)C1 ZINC001044063281 771733675 /nfs/dbraw/zinc/73/36/75/771733675.db2.gz WSZAANYQNJKCFL-UHFFFAOYSA-N 1 2 298.390 1.755 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1occ2c1CCC2 ZINC001038558646 771805471 /nfs/dbraw/zinc/80/54/71/771805471.db2.gz MYICIUPKDWASLO-ZDUSSCGKSA-N 1 2 272.348 1.596 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1occ2c1CCC2 ZINC001038558646 771805476 /nfs/dbraw/zinc/80/54/76/771805476.db2.gz MYICIUPKDWASLO-ZDUSSCGKSA-N 1 2 272.348 1.596 20 30 CDEDLO C=CCOc1cccnc1C(=O)N(C)C1C[NH+](CC)C1 ZINC001044163726 771826163 /nfs/dbraw/zinc/82/61/63/771826163.db2.gz VNFMVRJXRPLAMS-UHFFFAOYSA-N 1 2 275.352 1.423 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccoc1)O2 ZINC001053574551 771842661 /nfs/dbraw/zinc/84/26/61/771842661.db2.gz DRHJTPGAOXVYDO-CYBMUJFWSA-N 1 2 276.336 1.429 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(-n2ccnc2)c1 ZINC001038865911 771847601 /nfs/dbraw/zinc/84/76/01/771847601.db2.gz LEWHLARJZGSIQH-INIZCTEOSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(-n2ccnc2)c1 ZINC001038865911 771847603 /nfs/dbraw/zinc/84/76/03/771847603.db2.gz LEWHLARJZGSIQH-INIZCTEOSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(NC(C)=O)c1 ZINC001039011527 771866909 /nfs/dbraw/zinc/86/69/09/771866909.db2.gz RJIRBTQMIXYIMB-HNNXBMFYSA-N 1 2 285.347 1.082 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(NC(C)=O)c1 ZINC001039011527 771866911 /nfs/dbraw/zinc/86/69/11/771866911.db2.gz RJIRBTQMIXYIMB-HNNXBMFYSA-N 1 2 285.347 1.082 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)on1 ZINC001010671289 771874750 /nfs/dbraw/zinc/87/47/50/771874750.db2.gz SLMOKTXSDMMRMS-GFCCVEGCSA-N 1 2 299.334 1.187 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)on1 ZINC001010671289 771874753 /nfs/dbraw/zinc/87/47/53/771874753.db2.gz SLMOKTXSDMMRMS-GFCCVEGCSA-N 1 2 299.334 1.187 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cc1cn(C(C)C)nn1 ZINC000852749268 771887622 /nfs/dbraw/zinc/88/76/22/771887622.db2.gz UPVJDVZVYZSLOU-UHFFFAOYSA-N 1 2 250.346 1.331 20 30 CDEDLO C#CCC[N@H+](CCOC)Cc1cn(C(C)C)nn1 ZINC000852749268 771887623 /nfs/dbraw/zinc/88/76/23/771887623.db2.gz UPVJDVZVYZSLOU-UHFFFAOYSA-N 1 2 250.346 1.331 20 30 CDEDLO CC1(NC(=O)c2cccc3[nH+]ccn32)CCN(CC#N)CC1 ZINC001045499711 771888537 /nfs/dbraw/zinc/88/85/37/771888537.db2.gz CVAXLBHIIOYKLU-UHFFFAOYSA-N 1 2 297.362 1.442 20 30 CDEDLO C#Cc1cccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC000854886547 771893571 /nfs/dbraw/zinc/89/35/71/771893571.db2.gz GUEIBDNDOOEHJA-HUUCEWRRSA-N 1 2 279.343 1.821 20 30 CDEDLO C=CCC[NH+]1CC(N(C)C(=O)c2scnc2COC)C1 ZINC001044022859 771939711 /nfs/dbraw/zinc/93/97/11/771939711.db2.gz KTQIVACWZLCFFV-UHFFFAOYSA-N 1 2 295.408 1.622 20 30 CDEDLO Nc1nc2c(s1)C(=[NH+]OC[C@@H]1CCOC1)CCC2 ZINC000814912213 771946399 /nfs/dbraw/zinc/94/63/99/771946399.db2.gz MLHRYGJMESREAM-MRVPVSSYSA-N 1 2 267.354 1.819 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001031025633 771968032 /nfs/dbraw/zinc/96/80/32/771968032.db2.gz HARBWZJZKHZEBA-AWEZNQCLSA-N 1 2 270.376 1.922 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C1 ZINC001031076107 771968765 /nfs/dbraw/zinc/96/87/65/771968765.db2.gz JOUZLWMYUVVAPE-DLBZAZTESA-N 1 2 298.386 1.622 20 30 CDEDLO Cc1ccc(N2CC[NH+](Cc3ccccn3)CC2)c(C#N)n1 ZINC000881777173 772010632 /nfs/dbraw/zinc/01/06/32/772010632.db2.gz BGJLNKGHYPTHDQ-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1sc(N(C)C)nc1C ZINC001038773146 772027001 /nfs/dbraw/zinc/02/70/01/772027001.db2.gz HVVUPIVSVGOCIJ-NSHDSACASA-N 1 2 294.424 1.508 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1sc(N(C)C)nc1C ZINC001038773146 772027009 /nfs/dbraw/zinc/02/70/09/772027009.db2.gz HVVUPIVSVGOCIJ-NSHDSACASA-N 1 2 294.424 1.508 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)C(C)C)CCO2 ZINC001053454012 772030334 /nfs/dbraw/zinc/03/03/34/772030334.db2.gz PVNWTIWZIINVNM-AWEZNQCLSA-N 1 2 280.412 1.768 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C2CC3(C2)CCOCC3)C1 ZINC001031256047 772033378 /nfs/dbraw/zinc/03/33/78/772033378.db2.gz GBQPLGIHBMEKBN-UHFFFAOYSA-N 1 2 276.380 1.017 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(F)c1F ZINC001038650142 772034416 /nfs/dbraw/zinc/03/44/16/772034416.db2.gz FQYSVXBJYFSBST-SNVBAGLBSA-N 1 2 264.275 1.402 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(F)c1F ZINC001038650142 772034422 /nfs/dbraw/zinc/03/44/22/772034422.db2.gz FQYSVXBJYFSBST-SNVBAGLBSA-N 1 2 264.275 1.402 20 30 CDEDLO N#Cc1ccccc1/C=C\C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779094847 772035772 /nfs/dbraw/zinc/03/57/72/772035772.db2.gz FVCUYYBWBZSGDD-IYKSTZQJSA-N 1 2 292.342 1.899 20 30 CDEDLO C[C@@H]1CCC[N@@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794637834 772050985 /nfs/dbraw/zinc/05/09/85/772050985.db2.gz YVMRJNAFDPBNLS-SECBINFHSA-N 1 2 251.359 1.459 20 30 CDEDLO C[C@@H]1CCC[N@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794637834 772050988 /nfs/dbraw/zinc/05/09/88/772050988.db2.gz YVMRJNAFDPBNLS-SECBINFHSA-N 1 2 251.359 1.459 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cncnc2)C1 ZINC001033808825 772094908 /nfs/dbraw/zinc/09/49/08/772094908.db2.gz ZITCKVQJQSZLCB-CYBMUJFWSA-N 1 2 294.786 1.766 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cncnc2)C1 ZINC001033808825 772094911 /nfs/dbraw/zinc/09/49/11/772094911.db2.gz ZITCKVQJQSZLCB-CYBMUJFWSA-N 1 2 294.786 1.766 20 30 CDEDLO C#CC[N@@H+](CC)Cc1c(OC)cccc1C(=O)OC ZINC000878167083 772104129 /nfs/dbraw/zinc/10/41/29/772104129.db2.gz NHYPSIHILJAVSP-UHFFFAOYSA-N 1 2 261.321 1.937 20 30 CDEDLO C#CC[N@H+](CC)Cc1c(OC)cccc1C(=O)OC ZINC000878167083 772104149 /nfs/dbraw/zinc/10/41/49/772104149.db2.gz NHYPSIHILJAVSP-UHFFFAOYSA-N 1 2 261.321 1.937 20 30 CDEDLO C[C@H](CC(=O)Nc1cccc(CC#N)n1)n1cc[nH+]c1 ZINC000882471113 772149606 /nfs/dbraw/zinc/14/96/06/772149606.db2.gz JGZMDWOWGNFBMF-LLVKDONJSA-N 1 2 269.308 1.934 20 30 CDEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(F)F)C[C@H]21 ZINC001074134264 772157773 /nfs/dbraw/zinc/15/77/73/772157773.db2.gz YNEFYBDKAVEKOT-VXGBXAGGSA-N 1 2 288.338 1.519 20 30 CDEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(F)F)C[C@H]21 ZINC001074134264 772157788 /nfs/dbraw/zinc/15/77/88/772157788.db2.gz YNEFYBDKAVEKOT-VXGBXAGGSA-N 1 2 288.338 1.519 20 30 CDEDLO C#CC[C@@H]1CCN(C(=O)N[C@H](C)Cn2cc[nH+]c2)C1 ZINC000887340753 772174288 /nfs/dbraw/zinc/17/42/88/772174288.db2.gz KDYJOYIHRRFPSN-CHWSQXEVSA-N 1 2 260.341 1.326 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(OC)c1C ZINC001038748913 772192357 /nfs/dbraw/zinc/19/23/57/772192357.db2.gz XVSGMSZSQIVWES-ZDUSSCGKSA-N 1 2 272.348 1.441 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(OC)c1C ZINC001038748913 772192377 /nfs/dbraw/zinc/19/23/77/772192377.db2.gz XVSGMSZSQIVWES-ZDUSSCGKSA-N 1 2 272.348 1.441 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2cc(C)ccc2O1 ZINC001038521923 772218463 /nfs/dbraw/zinc/21/84/63/772218463.db2.gz ZNRNCQXHODLFMA-WBVHZDCISA-N 1 2 298.386 1.512 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2cc(C)ccc2O1 ZINC001038521923 772218472 /nfs/dbraw/zinc/21/84/72/772218472.db2.gz ZNRNCQXHODLFMA-WBVHZDCISA-N 1 2 298.386 1.512 20 30 CDEDLO CCn1c[nH+]c2c1CCN(C[C@H](C#N)CCC#N)C2 ZINC000933262163 772238048 /nfs/dbraw/zinc/23/80/48/772238048.db2.gz BRXUAZAVFWNIGU-LBPRGKRZSA-N 1 2 257.341 1.705 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn([C@@H](C)CC)c1C ZINC001038901492 772258705 /nfs/dbraw/zinc/25/87/05/772258705.db2.gz UZWJWQYWOMBNQI-GXTWGEPZSA-N 1 2 288.395 1.600 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn([C@@H](C)CC)c1C ZINC001038901492 772258713 /nfs/dbraw/zinc/25/87/13/772258713.db2.gz UZWJWQYWOMBNQI-GXTWGEPZSA-N 1 2 288.395 1.600 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)cc1F ZINC001038473427 772278940 /nfs/dbraw/zinc/27/89/40/772278940.db2.gz NGBNNRZGVJQYDV-LLVKDONJSA-N 1 2 276.311 1.272 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)cc1F ZINC001038473427 772278942 /nfs/dbraw/zinc/27/89/42/772278942.db2.gz NGBNNRZGVJQYDV-LLVKDONJSA-N 1 2 276.311 1.272 20 30 CDEDLO N#CCCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425272866 772307250 /nfs/dbraw/zinc/30/72/50/772307250.db2.gz HJGLKDJLKKVYKS-ZDUSSCGKSA-N 1 2 268.320 1.962 20 30 CDEDLO C#CCN(CC[NH+]1CCOCC1)c1ccccc1F ZINC000859750967 772309084 /nfs/dbraw/zinc/30/90/84/772309084.db2.gz CXVXHAUWGKDZAN-UHFFFAOYSA-N 1 2 262.328 1.598 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(-n2cccc2)ccn1 ZINC001038895597 772320606 /nfs/dbraw/zinc/32/06/06/772320606.db2.gz WFVPRGFRVZNRAB-HNNXBMFYSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(-n2cccc2)ccn1 ZINC001038895597 772320617 /nfs/dbraw/zinc/32/06/17/772320617.db2.gz WFVPRGFRVZNRAB-HNNXBMFYSA-N 1 2 294.358 1.310 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cncc(F)c2)C1 ZINC001042606059 772331236 /nfs/dbraw/zinc/33/12/36/772331236.db2.gz JEQFUSHMJUMDNW-UHFFFAOYSA-N 1 2 263.316 1.553 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccc(C)c2)C1 ZINC001042439348 772349526 /nfs/dbraw/zinc/34/95/26/772349526.db2.gz VDWSQJHGGHIJSP-UHFFFAOYSA-N 1 2 256.349 1.775 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2CCC)cc1 ZINC001051059238 772356679 /nfs/dbraw/zinc/35/66/79/772356679.db2.gz AJFLCAWYGDRSNK-MRXNPFEDSA-N 1 2 286.375 1.509 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2CCC)cc1 ZINC001051059238 772356680 /nfs/dbraw/zinc/35/66/80/772356680.db2.gz AJFLCAWYGDRSNK-MRXNPFEDSA-N 1 2 286.375 1.509 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001035490934 772375252 /nfs/dbraw/zinc/37/52/52/772375252.db2.gz YINQUGUMMMSJGJ-UONOGXRCSA-N 1 2 280.412 1.816 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001035490934 772375261 /nfs/dbraw/zinc/37/52/61/772375261.db2.gz YINQUGUMMMSJGJ-UONOGXRCSA-N 1 2 280.412 1.816 20 30 CDEDLO C#C[C@H]([NH2+]Cc1ncc(C2OCCO2)s1)[C@@H]1CCCO1 ZINC000809642251 772377234 /nfs/dbraw/zinc/37/72/34/772377234.db2.gz FAWDXFDMIRKCRK-QWRGUYRKSA-N 1 2 294.376 1.459 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cncc(F)c2)C1 ZINC001042606213 772396929 /nfs/dbraw/zinc/39/69/29/772396929.db2.gz LHGIFYCNBYSVPO-UHFFFAOYSA-N 1 2 261.300 1.000 20 30 CDEDLO Cn1cc[nH+]c1NN=Cc1ccc2c(c1)oc(=O)n2C ZINC000790305747 772436864 /nfs/dbraw/zinc/43/68/64/772436864.db2.gz NUQCAAQBCIAXDT-UHFFFAOYSA-N 1 2 271.280 1.311 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1cnccn1 ZINC001029245107 772455846 /nfs/dbraw/zinc/45/58/46/772455846.db2.gz PMDKBPRJHXMITO-XDQVBPFNSA-N 1 2 299.378 1.372 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1cnccn1 ZINC001029245107 772455849 /nfs/dbraw/zinc/45/58/49/772455849.db2.gz PMDKBPRJHXMITO-XDQVBPFNSA-N 1 2 299.378 1.372 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2cc(CCC)[nH]c(=O)c2)C1 ZINC001044024135 772476660 /nfs/dbraw/zinc/47/66/60/772476660.db2.gz GWSPNGUHRXFDHW-UHFFFAOYSA-N 1 2 289.379 1.682 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)c2c(C)noc2C)C1 ZINC001031102741 772498291 /nfs/dbraw/zinc/49/82/91/772498291.db2.gz MDSDLZNDEIDRAD-JTQLQIEISA-N 1 2 275.352 1.219 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(F)c1F ZINC001032593776 772514177 /nfs/dbraw/zinc/51/41/77/772514177.db2.gz UNJRIJODGCLUJC-QWRGUYRKSA-N 1 2 276.286 1.497 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(F)c1F ZINC001032593776 772514181 /nfs/dbraw/zinc/51/41/81/772514181.db2.gz UNJRIJODGCLUJC-QWRGUYRKSA-N 1 2 276.286 1.497 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C(C)(C)C)nc1C ZINC001038257824 772541953 /nfs/dbraw/zinc/54/19/53/772541953.db2.gz BHEMURDLEOYZJL-CYBMUJFWSA-N 1 2 288.395 1.384 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C(C)(C)C)nc1C ZINC001038257824 772541958 /nfs/dbraw/zinc/54/19/58/772541958.db2.gz BHEMURDLEOYZJL-CYBMUJFWSA-N 1 2 288.395 1.384 20 30 CDEDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000879767256 772580058 /nfs/dbraw/zinc/58/00/58/772580058.db2.gz VYTAFPFOXUNBPK-NHCYSSNCSA-N 1 2 289.301 1.822 20 30 CDEDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000879767256 772580071 /nfs/dbraw/zinc/58/00/71/772580071.db2.gz VYTAFPFOXUNBPK-NHCYSSNCSA-N 1 2 289.301 1.822 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000809640739 772581755 /nfs/dbraw/zinc/58/17/55/772581755.db2.gz LIKSRGZJZXWAQW-VIFPVBQESA-N 1 2 267.354 1.970 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC001038907541 772585415 /nfs/dbraw/zinc/58/54/15/772585415.db2.gz YXOVXZFAFVRDRV-CYBMUJFWSA-N 1 2 271.364 1.331 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC001038907541 772585416 /nfs/dbraw/zinc/58/54/16/772585416.db2.gz YXOVXZFAFVRDRV-CYBMUJFWSA-N 1 2 271.364 1.331 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccnn2-c2ccccc2)C1 ZINC001030536291 772593413 /nfs/dbraw/zinc/59/34/13/772593413.db2.gz ACKWYWLZMOPQSV-UHFFFAOYSA-N 1 2 296.374 1.862 20 30 CDEDLO Cn1cc[nH+]c1NN=Cc1ccc(C(=O)NC2CC2)cc1 ZINC000790304128 772638184 /nfs/dbraw/zinc/63/81/84/772638184.db2.gz ZSIWXYVYYGPPQN-UHFFFAOYSA-N 1 2 283.335 1.758 20 30 CDEDLO C#CCC[C@H](O)CNc1nc(C2CC2)[nH+]c(C)c1OC ZINC000848696400 772639061 /nfs/dbraw/zinc/63/90/61/772639061.db2.gz IIDXMVWEWQCPPU-LBPRGKRZSA-N 1 2 275.352 1.857 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc2ccncc21 ZINC001038563004 772648150 /nfs/dbraw/zinc/64/81/50/772648150.db2.gz NCMPQIXLEYUOPN-GFCCVEGCSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc2ccncc21 ZINC001038563004 772648153 /nfs/dbraw/zinc/64/81/53/772648153.db2.gz NCMPQIXLEYUOPN-GFCCVEGCSA-N 1 2 280.331 1.067 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)C1CC1)CO2 ZINC001053900203 772649545 /nfs/dbraw/zinc/64/95/45/772649545.db2.gz HTZKNPFVWXADID-AWEZNQCLSA-N 1 2 292.423 1.958 20 30 CDEDLO C#C[C@@](C)(CC)[NH2+]CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000852101504 772701310 /nfs/dbraw/zinc/70/13/10/772701310.db2.gz QBGZJVZJMXBRIA-AWEZNQCLSA-N 1 2 291.376 1.400 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)C)CO2 ZINC001053989717 772704697 /nfs/dbraw/zinc/70/46/97/772704697.db2.gz KOMBBSIHOKVFFE-LBPRGKRZSA-N 1 2 264.369 1.015 20 30 CDEDLO Cc1cnn([C@@H]2CC[N@H+](Cn3cccc(C#N)c3=O)C2)c1 ZINC000811799216 772748976 /nfs/dbraw/zinc/74/89/76/772748976.db2.gz SKZLRAQXVJSXRQ-CQSZACIVSA-N 1 2 283.335 1.129 20 30 CDEDLO Cc1cnn([C@@H]2CC[N@@H+](Cn3cccc(C#N)c3=O)C2)c1 ZINC000811799216 772748981 /nfs/dbraw/zinc/74/89/81/772748981.db2.gz SKZLRAQXVJSXRQ-CQSZACIVSA-N 1 2 283.335 1.129 20 30 CDEDLO C#CC[C@@H]1CCN(c2nc(NCCO)c3ccccc3[nH+]2)C1 ZINC000884594014 772749972 /nfs/dbraw/zinc/74/99/72/772749972.db2.gz YETNLKIJNINVAF-CYBMUJFWSA-N 1 2 296.374 1.884 20 30 CDEDLO COc1ccc(C[NH2+][C@@H](C)c2cn(C)nn2)cc1C#N ZINC000720567861 772758291 /nfs/dbraw/zinc/75/82/91/772758291.db2.gz QFCHHBONPYNKRI-JTQLQIEISA-N 1 2 271.324 1.546 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccco1)O2 ZINC001053561239 772759857 /nfs/dbraw/zinc/75/98/57/772759857.db2.gz IWBMRDDYIMUHAY-LBPRGKRZSA-N 1 2 276.336 1.429 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC001074236040 772793603 /nfs/dbraw/zinc/79/36/03/772793603.db2.gz LKBDZLWJPWGINM-CVEARBPZSA-N 1 2 288.391 1.278 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC001074236040 772793612 /nfs/dbraw/zinc/79/36/12/772793612.db2.gz LKBDZLWJPWGINM-CVEARBPZSA-N 1 2 288.391 1.278 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3[nH]nnc3c2)C1 ZINC001033653456 772798883 /nfs/dbraw/zinc/79/88/83/772798883.db2.gz QQMMRKSMHIQWNX-CYBMUJFWSA-N 1 2 299.378 1.680 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3[nH]nnc3c2)C1 ZINC001033653456 772798889 /nfs/dbraw/zinc/79/88/89/772798889.db2.gz QQMMRKSMHIQWNX-CYBMUJFWSA-N 1 2 299.378 1.680 20 30 CDEDLO Cc1cc(C)c(C(=O)NC[C@@H]2CCCN2CC#N)c(C)[nH+]1 ZINC001028037700 772802315 /nfs/dbraw/zinc/80/23/15/772802315.db2.gz DSDMPPSPODBYAT-AWEZNQCLSA-N 1 2 286.379 1.725 20 30 CDEDLO C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2cnn[nH]2)C1 ZINC000989460324 772808567 /nfs/dbraw/zinc/80/85/67/772808567.db2.gz APLUIPDOLCHYLF-PWSUYJOCSA-N 1 2 297.790 1.069 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H](CC)O2)C1 ZINC001031709695 772810112 /nfs/dbraw/zinc/81/01/12/772810112.db2.gz XURPANUZRVCPSR-CHWSQXEVSA-N 1 2 286.803 1.745 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC[N@@H+](CCF)CC2)[nH]1 ZINC000980990614 772821732 /nfs/dbraw/zinc/82/17/32/772821732.db2.gz AROSCHFUVIYTTI-UHFFFAOYSA-N 1 2 264.304 1.004 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC[N@H+](CCF)CC2)[nH]1 ZINC000980990614 772821733 /nfs/dbraw/zinc/82/17/33/772821733.db2.gz AROSCHFUVIYTTI-UHFFFAOYSA-N 1 2 264.304 1.004 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccccc2C)C1 ZINC000885511766 772823638 /nfs/dbraw/zinc/82/36/38/772823638.db2.gz MFFFPKKCTMTNFL-CQSZACIVSA-N 1 2 292.404 1.371 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccccc2C)C1 ZINC000885511766 772823639 /nfs/dbraw/zinc/82/36/39/772823639.db2.gz MFFFPKKCTMTNFL-CQSZACIVSA-N 1 2 292.404 1.371 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000874703192 772840283 /nfs/dbraw/zinc/84/02/83/772840283.db2.gz OODDQJGDNUHKEK-KBPBESRZSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000874703192 772840286 /nfs/dbraw/zinc/84/02/86/772840286.db2.gz OODDQJGDNUHKEK-KBPBESRZSA-N 1 2 284.400 1.195 20 30 CDEDLO COc1nccnc1N=NCc1c[nH+]c2n1CCC2 ZINC000853333533 772851613 /nfs/dbraw/zinc/85/16/13/772851613.db2.gz HHQLNNROSLUYSF-UHFFFAOYSA-N 1 2 258.285 1.074 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ncc(CC)s1 ZINC000884108229 772875417 /nfs/dbraw/zinc/87/54/17/772875417.db2.gz UTVSTAFFAOOSNU-VIFPVBQESA-N 1 2 283.353 1.091 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCOCC1 ZINC001017511992 772889490 /nfs/dbraw/zinc/88/94/90/772889490.db2.gz OVHJLNPMHHULDV-KFWWJZLASA-N 1 2 276.380 1.112 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCOCC1 ZINC001017511992 772889492 /nfs/dbraw/zinc/88/94/92/772889492.db2.gz OVHJLNPMHHULDV-KFWWJZLASA-N 1 2 276.380 1.112 20 30 CDEDLO CC(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001010230923 772893528 /nfs/dbraw/zinc/89/35/28/772893528.db2.gz XCNRVSSFWJXQGA-HNNXBMFYSA-N 1 2 271.364 1.905 20 30 CDEDLO CC(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001010230923 772893529 /nfs/dbraw/zinc/89/35/29/772893529.db2.gz XCNRVSSFWJXQGA-HNNXBMFYSA-N 1 2 271.364 1.905 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)n(C(F)F)n1 ZINC001038295254 772897333 /nfs/dbraw/zinc/89/73/33/772897333.db2.gz FEDVJCPSGCHPGI-SNVBAGLBSA-N 1 2 282.294 1.024 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)n(C(F)F)n1 ZINC001038295254 772897335 /nfs/dbraw/zinc/89/73/35/772897335.db2.gz FEDVJCPSGCHPGI-SNVBAGLBSA-N 1 2 282.294 1.024 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC23CC3)C1 ZINC001035414716 772925868 /nfs/dbraw/zinc/92/58/68/772925868.db2.gz JEFLTEJMYPNNOE-KGLIPLIRSA-N 1 2 278.396 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC23CC3)C1 ZINC001035414716 772925877 /nfs/dbraw/zinc/92/58/77/772925877.db2.gz JEFLTEJMYPNNOE-KGLIPLIRSA-N 1 2 278.396 1.570 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001008230776 772955403 /nfs/dbraw/zinc/95/54/03/772955403.db2.gz DINDOYFZNUDRDH-NDBYEHHHSA-N 1 2 284.787 1.212 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001008230776 772955407 /nfs/dbraw/zinc/95/54/07/772955407.db2.gz DINDOYFZNUDRDH-NDBYEHHHSA-N 1 2 284.787 1.212 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1csc(C2CC2)n1 ZINC001039070989 772986764 /nfs/dbraw/zinc/98/67/64/772986764.db2.gz DDRDGVCBSHPEGT-NSHDSACASA-N 1 2 275.377 1.458 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1csc(C2CC2)n1 ZINC001039070989 772986769 /nfs/dbraw/zinc/98/67/69/772986769.db2.gz DDRDGVCBSHPEGT-NSHDSACASA-N 1 2 275.377 1.458 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccn2ccnc12 ZINC001038807727 773019562 /nfs/dbraw/zinc/01/95/62/773019562.db2.gz XWMACKMQSJKQOQ-ZDUSSCGKSA-N 1 2 282.347 1.162 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccn2ccnc12 ZINC001038807727 773019567 /nfs/dbraw/zinc/01/95/67/773019567.db2.gz XWMACKMQSJKQOQ-ZDUSSCGKSA-N 1 2 282.347 1.162 20 30 CDEDLO C[C@@H](CCC#N)[N@@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879763184 773031482 /nfs/dbraw/zinc/03/14/82/773031482.db2.gz JGCPLKVJPDVUDO-GXSJLCMTSA-N 1 2 277.290 1.822 20 30 CDEDLO C[C@@H](CCC#N)[N@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879763184 773031487 /nfs/dbraw/zinc/03/14/87/773031487.db2.gz JGCPLKVJPDVUDO-GXSJLCMTSA-N 1 2 277.290 1.822 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccs1 ZINC001032253004 773053159 /nfs/dbraw/zinc/05/31/59/773053159.db2.gz DFPWBUXIEKXZNM-RYUDHWBXSA-N 1 2 260.362 1.209 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccs1 ZINC001032253004 773053160 /nfs/dbraw/zinc/05/31/60/773053160.db2.gz DFPWBUXIEKXZNM-RYUDHWBXSA-N 1 2 260.362 1.209 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(F)cn2)CC1 ZINC000785368141 773070093 /nfs/dbraw/zinc/07/00/93/773070093.db2.gz XSFXCBQGELQJSW-UHFFFAOYSA-N 1 2 261.300 1.002 20 30 CDEDLO Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932160452 773070580 /nfs/dbraw/zinc/07/05/80/773070580.db2.gz DQEIEXCEKPPRHU-LSDHHAIUSA-N 1 2 274.364 1.970 20 30 CDEDLO Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](C#N)C1 ZINC000932160452 773070584 /nfs/dbraw/zinc/07/05/84/773070584.db2.gz DQEIEXCEKPPRHU-LSDHHAIUSA-N 1 2 274.364 1.970 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC(F)(F)C1 ZINC001032623921 773074556 /nfs/dbraw/zinc/07/45/56/773074556.db2.gz UQQUIDBXFXPVTM-AVGNSLFASA-N 1 2 282.334 1.730 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC(F)(F)C1 ZINC001032623921 773074563 /nfs/dbraw/zinc/07/45/63/773074563.db2.gz UQQUIDBXFXPVTM-AVGNSLFASA-N 1 2 282.334 1.730 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1CC)CO2 ZINC001053932894 773136258 /nfs/dbraw/zinc/13/62/58/773136258.db2.gz CZVYFBYKZPOZSS-HZSPNIEDSA-N 1 2 276.380 1.015 20 30 CDEDLO C#Cc1ccc(NC(=O)NCC[N@@H+]2CCO[C@H](C)C2)cc1 ZINC000934918876 773165700 /nfs/dbraw/zinc/16/57/00/773165700.db2.gz PTIDCUXVQBIJKB-CYBMUJFWSA-N 1 2 287.363 1.510 20 30 CDEDLO C#Cc1ccc(NC(=O)NCC[N@H+]2CCO[C@H](C)C2)cc1 ZINC000934918876 773165706 /nfs/dbraw/zinc/16/57/06/773165706.db2.gz PTIDCUXVQBIJKB-CYBMUJFWSA-N 1 2 287.363 1.510 20 30 CDEDLO N#C[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000928222075 773167480 /nfs/dbraw/zinc/16/74/80/773167480.db2.gz PPELSWALQQMKPQ-NSHDSACASA-N 1 2 254.293 1.710 20 30 CDEDLO C#CC1CC[NH+](CC(=O)N(C)c2nccs2)CC1 ZINC000830326194 773175786 /nfs/dbraw/zinc/17/57/86/773175786.db2.gz FSUGLTIDDRQYSL-UHFFFAOYSA-N 1 2 263.366 1.451 20 30 CDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)C3CC3)C2)cc1F ZINC001031509381 773183577 /nfs/dbraw/zinc/18/35/77/773183577.db2.gz ZWCQIJUWBDAFLG-UHFFFAOYSA-N 1 2 287.338 1.655 20 30 CDEDLO C=CC[NH+]1CCC2(CN(C(=O)C(F)C(F)(F)F)C2)CC1 ZINC001050526416 773313702 /nfs/dbraw/zinc/31/37/02/773313702.db2.gz GEOQWMGRRZXPED-JTQLQIEISA-N 1 2 294.292 1.997 20 30 CDEDLO C=CC[NH+]1CCC2(CN(C(=O)[C@H](F)C(F)(F)F)C2)CC1 ZINC001050526416 773313714 /nfs/dbraw/zinc/31/37/14/773313714.db2.gz GEOQWMGRRZXPED-JTQLQIEISA-N 1 2 294.292 1.997 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(C)n1 ZINC001017496805 773319169 /nfs/dbraw/zinc/31/91/69/773319169.db2.gz WRVPZVNRQODMDF-TXEJJXNPSA-N 1 2 261.325 1.458 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(C)n1 ZINC001017496805 773319175 /nfs/dbraw/zinc/31/91/75/773319175.db2.gz WRVPZVNRQODMDF-TXEJJXNPSA-N 1 2 261.325 1.458 20 30 CDEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)CC)C2)CC1 ZINC001051957990 773333452 /nfs/dbraw/zinc/33/34/52/773333452.db2.gz QCWVYQILNAUBHC-ZDUSSCGKSA-N 1 2 285.819 1.367 20 30 CDEDLO C=CCC[N@@H+](C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000786101798 773346851 /nfs/dbraw/zinc/34/68/51/773346851.db2.gz JQHADRDRNDZSGM-UHFFFAOYSA-N 1 2 289.291 1.656 20 30 CDEDLO C=CCC[N@H+](C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000786101798 773346860 /nfs/dbraw/zinc/34/68/60/773346860.db2.gz JQHADRDRNDZSGM-UHFFFAOYSA-N 1 2 289.291 1.656 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1Cc2c(cccc2C)O1 ZINC001038921995 773347726 /nfs/dbraw/zinc/34/77/26/773347726.db2.gz UOVPAWRCOFZSSY-WMLDXEAASA-N 1 2 298.386 1.512 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1Cc2c(cccc2C)O1 ZINC001038921995 773347734 /nfs/dbraw/zinc/34/77/34/773347734.db2.gz UOVPAWRCOFZSSY-WMLDXEAASA-N 1 2 298.386 1.512 20 30 CDEDLO N#CCn1cc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000139398104 773348442 /nfs/dbraw/zinc/34/84/42/773348442.db2.gz SRWOHMXPLKWGJL-UHFFFAOYSA-N 1 2 292.302 1.845 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2F)C1 ZINC000932160100 773353661 /nfs/dbraw/zinc/35/36/61/773353661.db2.gz BTQCLGSQQYCEHI-OLZOCXBDSA-N 1 2 278.327 1.801 20 30 CDEDLO N#C[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2F)C1 ZINC000932160100 773353670 /nfs/dbraw/zinc/35/36/70/773353670.db2.gz BTQCLGSQQYCEHI-OLZOCXBDSA-N 1 2 278.327 1.801 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2[nH]cnc2C)C1 ZINC001033712149 773397143 /nfs/dbraw/zinc/39/71/43/773397143.db2.gz WCVTZXFTXOQKSO-NSHDSACASA-N 1 2 282.775 1.617 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2[nH]cnc2C)C1 ZINC001033712149 773397153 /nfs/dbraw/zinc/39/71/53/773397153.db2.gz WCVTZXFTXOQKSO-NSHDSACASA-N 1 2 282.775 1.617 20 30 CDEDLO N#Cc1ccc(C(=O)OCc2cc[nH+]c(N)c2)nc1 ZINC000791875310 773426395 /nfs/dbraw/zinc/42/63/95/773426395.db2.gz JERQUIRDRHWLPY-UHFFFAOYSA-N 1 2 254.249 1.287 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000800349877 773565097 /nfs/dbraw/zinc/56/50/97/773565097.db2.gz VYCZFBAQEIQBCY-UONOGXRCSA-N 1 2 283.368 1.374 20 30 CDEDLO C=C(C)C(C)(C)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000821451746 773575737 /nfs/dbraw/zinc/57/57/37/773575737.db2.gz GQHJTMKOQWIYOM-LBPRGKRZSA-N 1 2 255.358 1.853 20 30 CDEDLO C=C(C)C(C)(C)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000821451746 773575757 /nfs/dbraw/zinc/57/57/57/773575757.db2.gz GQHJTMKOQWIYOM-LBPRGKRZSA-N 1 2 255.358 1.853 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(C(C)(C)C)c1C ZINC001038327216 773643478 /nfs/dbraw/zinc/64/34/78/773643478.db2.gz IVHCBMDPVDUBPL-CYBMUJFWSA-N 1 2 288.395 1.384 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(C(C)(C)C)c1C ZINC001038327216 773643507 /nfs/dbraw/zinc/64/35/07/773643507.db2.gz IVHCBMDPVDUBPL-CYBMUJFWSA-N 1 2 288.395 1.384 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+]Cc1nc2c(s1)CCC2 ZINC000782968668 773683307 /nfs/dbraw/zinc/68/33/07/773683307.db2.gz LPJGCVCJJOKMTN-UHFFFAOYSA-N 1 2 286.422 1.322 20 30 CDEDLO CCCCON=C(N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181846026 773706420 /nfs/dbraw/zinc/70/64/20/773706420.db2.gz ADYDQMHRIFKLSA-OAHLLOKOSA-N 1 2 291.395 1.976 20 30 CDEDLO CCCCON=C(N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181846026 773706429 /nfs/dbraw/zinc/70/64/29/773706429.db2.gz ADYDQMHRIFKLSA-OAHLLOKOSA-N 1 2 291.395 1.976 20 30 CDEDLO C#C[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)[C@H]1CCCO1 ZINC000844484850 773709632 /nfs/dbraw/zinc/70/96/32/773709632.db2.gz JCPVUUPFMDSDFA-FRRDWIJNSA-N 1 2 261.325 1.131 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2nc3cnccc3s2)C1 ZINC001015207163 773717159 /nfs/dbraw/zinc/71/71/59/773717159.db2.gz SLZVAUDYLRVVBE-JTQLQIEISA-N 1 2 286.360 1.129 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2nc3cnccc3s2)C1 ZINC001015207163 773717164 /nfs/dbraw/zinc/71/71/64/773717164.db2.gz SLZVAUDYLRVVBE-JTQLQIEISA-N 1 2 286.360 1.129 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2ccncc21 ZINC001038870398 773722290 /nfs/dbraw/zinc/72/22/90/773722290.db2.gz TZEITYJIFSEBNH-AWEZNQCLSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2ccncc21 ZINC001038870398 773722296 /nfs/dbraw/zinc/72/22/96/773722296.db2.gz TZEITYJIFSEBNH-AWEZNQCLSA-N 1 2 279.343 1.672 20 30 CDEDLO COC(=O)CC[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OC ZINC001173586177 912634926 /nfs/dbraw/zinc/63/49/26/912634926.db2.gz KVLRNQNKGDFODN-AVERBVTBSA-N 1 2 296.367 1.543 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001031024785 913419561 /nfs/dbraw/zinc/41/95/61/913419561.db2.gz WFVNVELXYWWVAB-UHFFFAOYSA-N 1 2 295.386 1.500 20 30 CDEDLO C[C@H](CC(=O)N[C@@H](C)CCCCNCC#N)n1cc[nH+]c1 ZINC001175503189 913642092 /nfs/dbraw/zinc/64/20/92/913642092.db2.gz MXJGACDMANZJLT-UONOGXRCSA-N 1 2 291.399 1.622 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(F)cc2F)CC1 ZINC000089946398 894296897 /nfs/dbraw/zinc/29/68/97/894296897.db2.gz BMGBGSBXDUTLMW-UHFFFAOYSA-N 1 2 250.292 1.716 20 30 CDEDLO C#Cc1cc(Nc2cnn(C(F)(F)F)c2)cc[nH+]1 ZINC001210357281 895220484 /nfs/dbraw/zinc/22/04/84/895220484.db2.gz FSLVNVOZGIFPMY-UHFFFAOYSA-N 1 2 252.199 1.901 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(COC)CCCC1 ZINC001235089414 914017747 /nfs/dbraw/zinc/01/77/47/914017747.db2.gz JDCHDPAWUGBKDU-CQSZACIVSA-N 1 2 278.396 1.359 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(COC)CCCC1 ZINC001235089414 914017765 /nfs/dbraw/zinc/01/77/65/914017765.db2.gz JDCHDPAWUGBKDU-CQSZACIVSA-N 1 2 278.396 1.359 20 30 CDEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(Cl)no3)[C@H]2C1 ZINC001083255486 897218996 /nfs/dbraw/zinc/21/89/96/897218996.db2.gz XVFQVXLHBIDXJI-GXSJLCMTSA-N 1 2 297.742 1.039 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(Cl)no3)[C@H]2C1 ZINC001083255486 897219005 /nfs/dbraw/zinc/21/90/05/897219005.db2.gz XVFQVXLHBIDXJI-GXSJLCMTSA-N 1 2 297.742 1.039 20 30 CDEDLO Cc1nc(NC[C@H](C)N(C)C(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001104519872 897935188 /nfs/dbraw/zinc/93/51/88/897935188.db2.gz PXZPWXQLXLOWHU-JTQLQIEISA-N 1 2 298.350 1.557 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1nnc(C)[nH]1 ZINC001235451951 914227487 /nfs/dbraw/zinc/22/74/87/914227487.db2.gz RNQMSTBFXWSPMR-UHFFFAOYSA-N 1 2 265.361 1.017 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1nnc(C)[nH]1 ZINC001235451951 914227503 /nfs/dbraw/zinc/22/75/03/914227503.db2.gz RNQMSTBFXWSPMR-UHFFFAOYSA-N 1 2 265.361 1.017 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2O)CC1 ZINC001083751409 914529325 /nfs/dbraw/zinc/52/93/25/914529325.db2.gz UYXCVCVSJNFSMU-OMPUXJAVSA-N 1 2 298.814 1.647 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]2O)CC1 ZINC001083751409 914529343 /nfs/dbraw/zinc/52/93/43/914529343.db2.gz UYXCVCVSJNFSMU-OMPUXJAVSA-N 1 2 298.814 1.647 20 30 CDEDLO CN(CC(=O)N[C@H](C#N)c1ccccc1)c1cccc[nH+]1 ZINC001177408565 914663556 /nfs/dbraw/zinc/66/35/56/914663556.db2.gz JLAQMVYGUYFCEV-CQSZACIVSA-N 1 2 280.331 1.899 20 30 CDEDLO O=C(CCS)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001268959826 903277593 /nfs/dbraw/zinc/27/75/93/903277593.db2.gz MHJYNRLOMZEAQA-UHFFFAOYSA-N 1 2 296.358 1.936 20 30 CDEDLO O=C(CCS)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001268959826 903277607 /nfs/dbraw/zinc/27/76/07/903277607.db2.gz MHJYNRLOMZEAQA-UHFFFAOYSA-N 1 2 296.358 1.936 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](C)C2CC2)C1 ZINC001567826498 1169001094 /nfs/dbraw/zinc/00/10/94/1169001094.db2.gz ZCUXNUPRNANJHZ-SNVBAGLBSA-N 1 2 256.777 1.833 20 30 CDEDLO Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C)C#N)C3)ncn1 ZINC001110402044 921184149 /nfs/dbraw/zinc/18/41/49/921184149.db2.gz VVGRRDXVCBFOLB-QOWREQOWSA-N 1 2 299.378 1.166 20 30 CDEDLO Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C)C#N)C3)ncn1 ZINC001110402044 921184156 /nfs/dbraw/zinc/18/41/56/921184156.db2.gz VVGRRDXVCBFOLB-QOWREQOWSA-N 1 2 299.378 1.166 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](CC)OC ZINC001271976868 907061920 /nfs/dbraw/zinc/06/19/20/907061920.db2.gz ALYQQFPNNFWSOG-NSHDSACASA-N 1 2 262.781 1.554 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](CC)OC ZINC001271976868 907061935 /nfs/dbraw/zinc/06/19/35/907061935.db2.gz ALYQQFPNNFWSOG-NSHDSACASA-N 1 2 262.781 1.554 20 30 CDEDLO C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)CCO1 ZINC001168120110 907233023 /nfs/dbraw/zinc/23/30/23/907233023.db2.gz VBIBMFKQCCERAR-YUSALJHKSA-N 1 2 253.367 1.828 20 30 CDEDLO C[C@@H]1C[C@H]([N@H+]2CC[C@H]3SC(=O)C=C3C2)CCO1 ZINC001168120110 907233038 /nfs/dbraw/zinc/23/30/38/907233038.db2.gz VBIBMFKQCCERAR-YUSALJHKSA-N 1 2 253.367 1.828 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2coc(C)n2)C1 ZINC001189317973 921426019 /nfs/dbraw/zinc/42/60/19/921426019.db2.gz GRTBUZVERSGYDV-CQSZACIVSA-N 1 2 277.368 1.982 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2coc(C)n2)C1 ZINC001189317973 921426026 /nfs/dbraw/zinc/42/60/26/921426026.db2.gz GRTBUZVERSGYDV-CQSZACIVSA-N 1 2 277.368 1.982 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1nccs1 ZINC001273015503 921551106 /nfs/dbraw/zinc/55/11/06/921551106.db2.gz WVVVIVGKXZWSPQ-OAHLLOKOSA-N 1 2 289.404 1.733 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1nccs1 ZINC001273015503 921551110 /nfs/dbraw/zinc/55/11/10/921551110.db2.gz WVVVIVGKXZWSPQ-OAHLLOKOSA-N 1 2 289.404 1.733 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@@H](C)OC)CC2)C1 ZINC001105698577 910699148 /nfs/dbraw/zinc/69/91/48/910699148.db2.gz NOKJTSLXTMIJDA-CYBMUJFWSA-N 1 2 296.411 1.289 20 30 CDEDLO C=CCN1CC[C@]2(CCN(c3cc[nH+]c(OC)c3)C2)C1=O ZINC001273585077 921608751 /nfs/dbraw/zinc/60/87/51/921608751.db2.gz LCKGMTMFQUAKKB-MRXNPFEDSA-N 1 2 287.363 1.705 20 30 CDEDLO CCOC(=O)CC[C@H]([NH2+][C@H](C)CCCC#N)C(=O)OCC ZINC001172482415 911684360 /nfs/dbraw/zinc/68/43/60/911684360.db2.gz GONGOXRSEASSFX-OLZOCXBDSA-N 1 2 298.383 1.933 20 30 CDEDLO N#Cc1cncc(Nc2ccc(C[NH+]3CC(O)C3)cc2)c1 ZINC001212665615 911732860 /nfs/dbraw/zinc/73/28/60/911732860.db2.gz XOQYPHRBTACLSC-UHFFFAOYSA-N 1 2 280.331 1.873 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001179895635 916033380 /nfs/dbraw/zinc/03/33/80/916033380.db2.gz LTEJXGSJIVXHBL-MNOVXSKESA-N 1 2 271.311 1.478 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[C@@H]1C)O2 ZINC001053644947 936416135 /nfs/dbraw/zinc/41/61/35/936416135.db2.gz PLNWQRBDBWTQIO-MJBXVCDLSA-N 1 2 278.396 1.568 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H](C)Nc2cc[nH+]c(C)n2)nc1 ZINC001097960808 936470324 /nfs/dbraw/zinc/47/03/24/936470324.db2.gz HKFKIROHNJYKHV-NSHDSACASA-N 1 2 295.346 1.392 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)/C=C(/C)C2CC2)C1 ZINC001107777780 918771406 /nfs/dbraw/zinc/77/14/06/918771406.db2.gz WKOLRERRUKUUJB-IFCKCIONSA-N 1 2 290.407 1.573 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)/C=C(/C)C2CC2)C1 ZINC001107777780 918771413 /nfs/dbraw/zinc/77/14/13/918771413.db2.gz WKOLRERRUKUUJB-IFCKCIONSA-N 1 2 290.407 1.573 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C=C2CCC2)C1 ZINC001107860548 918916939 /nfs/dbraw/zinc/91/69/39/918916939.db2.gz RMRUSOKPLMIJMB-OAHLLOKOSA-N 1 2 264.369 1.490 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C=C2CCC2)C1 ZINC001107860548 918916948 /nfs/dbraw/zinc/91/69/48/918916948.db2.gz RMRUSOKPLMIJMB-OAHLLOKOSA-N 1 2 264.369 1.490 20 30 CDEDLO CC[N@H+](CCC#N)CCn1cnc(Br)n1 ZINC000821379117 919007703 /nfs/dbraw/zinc/00/77/03/919007703.db2.gz BAZQFEOYNWKNOU-UHFFFAOYSA-N 1 2 272.150 1.276 20 30 CDEDLO CC[N@@H+](CCC#N)CCn1cnc(Br)n1 ZINC000821379117 919007716 /nfs/dbraw/zinc/00/77/16/919007716.db2.gz BAZQFEOYNWKNOU-UHFFFAOYSA-N 1 2 272.150 1.276 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](OCC)C(C)C)C1 ZINC001107938264 919087313 /nfs/dbraw/zinc/08/73/13/919087313.db2.gz MMGKJSBXFTXLMQ-HOCLYGCPSA-N 1 2 298.427 1.441 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](OCC)C(C)C)C1 ZINC001107938264 919087327 /nfs/dbraw/zinc/08/73/27/919087327.db2.gz MMGKJSBXFTXLMQ-HOCLYGCPSA-N 1 2 298.427 1.441 20 30 CDEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001185071320 919409979 /nfs/dbraw/zinc/40/99/79/919409979.db2.gz SLPVMTCJKMKIQV-CHWSQXEVSA-N 1 2 292.383 1.671 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(F)(F)F ZINC001032568257 919416348 /nfs/dbraw/zinc/41/63/48/919416348.db2.gz VXCUJEOYQFSRCG-UTLUCORTSA-N 1 2 260.259 1.103 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(F)(F)F ZINC001032568257 919416365 /nfs/dbraw/zinc/41/63/65/919416365.db2.gz VXCUJEOYQFSRCG-UTLUCORTSA-N 1 2 260.259 1.103 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc([C@@H]3C[C@H]3C)nc2)CC1 ZINC001185126346 919438572 /nfs/dbraw/zinc/43/85/72/919438572.db2.gz ISUCMQXQHSBZKE-TZMCWYRMSA-N 1 2 286.379 1.544 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cn3c(cccc3F)n2)CC1 ZINC001139573262 936588133 /nfs/dbraw/zinc/58/81/33/936588133.db2.gz DEJXXRJXSDMYCN-UHFFFAOYSA-N 1 2 272.327 1.224 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)ccc2C)C1 ZINC001077860370 919837214 /nfs/dbraw/zinc/83/72/14/919837214.db2.gz AVYJRYGDFPAKCD-ZIAGYGMSSA-N 1 2 292.766 1.057 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Cl)ccc2C)C1 ZINC001077860370 919837224 /nfs/dbraw/zinc/83/72/24/919837224.db2.gz AVYJRYGDFPAKCD-ZIAGYGMSSA-N 1 2 292.766 1.057 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC001139390067 936617699 /nfs/dbraw/zinc/61/76/99/936617699.db2.gz MHCSMEITUNLTRT-HZPDHXFCSA-N 1 2 297.402 1.764 20 30 CDEDLO CC(=O)N1CC[NH+](Cc2c[nH]c3c2cccc3C#N)CC1 ZINC001139703446 936638621 /nfs/dbraw/zinc/63/86/21/936638621.db2.gz NXMHIFIGQLXCLR-UHFFFAOYSA-N 1 2 282.347 1.704 20 30 CDEDLO CN(CC#N)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139763439 936645003 /nfs/dbraw/zinc/64/50/03/936645003.db2.gz NAZBPLVPOGETPW-UHFFFAOYSA-N 1 2 289.379 1.353 20 30 CDEDLO N#Cc1cc(F)cc(C[NH+]2CCN(c3cncnc3)CC2)c1 ZINC001139875929 936655323 /nfs/dbraw/zinc/65/53/23/936655323.db2.gz HQLMTXLUAGVSOA-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2ccns2)CC[C@@H]1C ZINC001071543739 936684489 /nfs/dbraw/zinc/68/44/89/936684489.db2.gz NCJCHDMMUPBILM-WDEREUQCSA-N 1 2 263.366 1.359 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2ccns2)CC[C@@H]1C ZINC001071543739 936684491 /nfs/dbraw/zinc/68/44/91/936684491.db2.gz NCJCHDMMUPBILM-WDEREUQCSA-N 1 2 263.366 1.359 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004397780 921819763 /nfs/dbraw/zinc/81/97/63/921819763.db2.gz QZJIYCFLDHBAAZ-TZMCWYRMSA-N 1 2 274.368 1.373 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004397780 921819768 /nfs/dbraw/zinc/81/97/68/921819768.db2.gz QZJIYCFLDHBAAZ-TZMCWYRMSA-N 1 2 274.368 1.373 20 30 CDEDLO C[C@@H]1C[NH+](C2CN(Cc3ccc(C#N)nc3)C2)C[C@@H](C)O1 ZINC001140547421 936723628 /nfs/dbraw/zinc/72/36/28/936723628.db2.gz SDRVIIXTKDNPOS-CHWSQXEVSA-N 1 2 286.379 1.247 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2ncc[nH]2)C1 ZINC001033545408 922263103 /nfs/dbraw/zinc/26/31/03/922263103.db2.gz ZDTVZHHDQRTLOK-NSHDSACASA-N 1 2 282.775 1.237 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2ncc[nH]2)C1 ZINC001033545408 922263114 /nfs/dbraw/zinc/26/31/14/922263114.db2.gz ZDTVZHHDQRTLOK-NSHDSACASA-N 1 2 282.775 1.237 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](CCC)OC)C1 ZINC001108115004 922485761 /nfs/dbraw/zinc/48/57/61/922485761.db2.gz KMYFOLBVMAICQA-GOEBONIOSA-N 1 2 296.411 1.032 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](CCC)OC)C1 ZINC001108115004 922485764 /nfs/dbraw/zinc/48/57/64/922485764.db2.gz KMYFOLBVMAICQA-GOEBONIOSA-N 1 2 296.411 1.032 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2coc(C)c2)[C@@H](O)C1 ZINC001090226548 922706821 /nfs/dbraw/zinc/70/68/21/922706821.db2.gz WMXCQKXINVVVET-STQMWFEESA-N 1 2 298.770 1.506 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2coc(C)c2)[C@@H](O)C1 ZINC001090226548 922706830 /nfs/dbraw/zinc/70/68/30/922706830.db2.gz WMXCQKXINVVVET-STQMWFEESA-N 1 2 298.770 1.506 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001108151796 922796903 /nfs/dbraw/zinc/79/69/03/922796903.db2.gz TZMUVTKHEUSCAX-ORIJERBGSA-N 1 2 278.396 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001108151796 922796916 /nfs/dbraw/zinc/79/69/16/922796916.db2.gz TZMUVTKHEUSCAX-ORIJERBGSA-N 1 2 278.396 1.426 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c[nH]nc2C(F)(F)F)CC1 ZINC001141017073 936792450 /nfs/dbraw/zinc/79/24/50/936792450.db2.gz YUQSGGOFRCYSBR-UHFFFAOYSA-N 1 2 272.274 1.179 20 30 CDEDLO COc1cc(C#N)ccc1C(=O)NCCn1cc[nH+]c1 ZINC001192236167 922975128 /nfs/dbraw/zinc/97/51/28/922975128.db2.gz OCLUGEJHRLBLAW-UHFFFAOYSA-N 1 2 270.292 1.193 20 30 CDEDLO N#Cc1cccc(C(=O)NC2CC[NH+](CCF)CC2)c1O ZINC001193657995 923846043 /nfs/dbraw/zinc/84/60/43/923846043.db2.gz PBWKCERKUIVRKY-UHFFFAOYSA-N 1 2 291.326 1.428 20 30 CDEDLO C#CCCCC(=O)N1CCC[N@@H+](Cc2cncn2C)CC1 ZINC001195645761 924677359 /nfs/dbraw/zinc/67/73/59/924677359.db2.gz ZTDJBJTWSHNKOS-UHFFFAOYSA-N 1 2 288.395 1.258 20 30 CDEDLO C#CCCCC(=O)N1CCC[N@H+](Cc2cncn2C)CC1 ZINC001195645761 924677360 /nfs/dbraw/zinc/67/73/60/924677360.db2.gz ZTDJBJTWSHNKOS-UHFFFAOYSA-N 1 2 288.395 1.258 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccns2)[C@H](OC)C1 ZINC001081751521 924789546 /nfs/dbraw/zinc/78/95/46/924789546.db2.gz LHQAFGFLYYWINV-GHMZBOCLSA-N 1 2 281.381 1.148 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccns2)[C@H](OC)C1 ZINC001081751521 924789552 /nfs/dbraw/zinc/78/95/52/924789552.db2.gz LHQAFGFLYYWINV-GHMZBOCLSA-N 1 2 281.381 1.148 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)c(F)c2)[C@H](OC)C1 ZINC001081798583 924796584 /nfs/dbraw/zinc/79/65/84/924796584.db2.gz GNKKXITWNPDBJV-ZIAGYGMSSA-N 1 2 294.301 1.027 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(F)c(F)c2)[C@H](OC)C1 ZINC001081798583 924796592 /nfs/dbraw/zinc/79/65/92/924796592.db2.gz GNKKXITWNPDBJV-ZIAGYGMSSA-N 1 2 294.301 1.027 20 30 CDEDLO N#Cc1cccnc1C(=O)Nc1cccc2[nH+]ccn21 ZINC001196546309 924933619 /nfs/dbraw/zinc/93/36/19/924933619.db2.gz ALZZJHJSSGPWKE-UHFFFAOYSA-N 1 2 263.260 1.853 20 30 CDEDLO Cc1cc(N2CC[NH2+]C[C@H]2C#N)nc2ccccc12 ZINC001164641494 924961451 /nfs/dbraw/zinc/96/14/51/924961451.db2.gz MGYOYXWCUOZNSF-GFCCVEGCSA-N 1 2 252.321 1.845 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C)co3)[C@H]2C1 ZINC001083170521 925111039 /nfs/dbraw/zinc/11/10/39/925111039.db2.gz HWXVSDVPKQZOCM-DZGCQCFKSA-N 1 2 288.347 1.137 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)co3)[C@H]2C1 ZINC001083170521 925111049 /nfs/dbraw/zinc/11/10/49/925111049.db2.gz HWXVSDVPKQZOCM-DZGCQCFKSA-N 1 2 288.347 1.137 20 30 CDEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cscn1 ZINC001273215572 925214789 /nfs/dbraw/zinc/21/47/89/925214789.db2.gz NEUCVLKRBSKRAY-CHWSQXEVSA-N 1 2 277.393 1.894 20 30 CDEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cscn1 ZINC001273215572 925214790 /nfs/dbraw/zinc/21/47/90/925214790.db2.gz NEUCVLKRBSKRAY-CHWSQXEVSA-N 1 2 277.393 1.894 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101667622 936997963 /nfs/dbraw/zinc/99/79/63/936997963.db2.gz LEGIBZQJLABOCL-NSHDSACASA-N 1 2 278.356 1.246 20 30 CDEDLO CC[N@H+](Cc1ncc(C)o1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152449929 925434747 /nfs/dbraw/zinc/43/47/47/925434747.db2.gz MKYQLEYJDSUQBS-GHMZBOCLSA-N 1 2 278.356 1.469 20 30 CDEDLO CC[N@@H+](Cc1ncc(C)o1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152449929 925434755 /nfs/dbraw/zinc/43/47/55/925434755.db2.gz MKYQLEYJDSUQBS-GHMZBOCLSA-N 1 2 278.356 1.469 20 30 CDEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001203917053 925519614 /nfs/dbraw/zinc/51/96/14/925519614.db2.gz FEGHMTDJWWUCQU-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001198897092 925560409 /nfs/dbraw/zinc/56/04/09/925560409.db2.gz YAJVWLIJFRHEGB-CHWSQXEVSA-N 1 2 280.412 1.243 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001198897092 925560414 /nfs/dbraw/zinc/56/04/14/925560414.db2.gz YAJVWLIJFRHEGB-CHWSQXEVSA-N 1 2 280.412 1.243 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1F ZINC001085461917 926010682 /nfs/dbraw/zinc/01/06/82/926010682.db2.gz QVSJNCNYAQEMIP-CYBMUJFWSA-N 1 2 274.339 1.995 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1F ZINC001085461917 926010692 /nfs/dbraw/zinc/01/06/92/926010692.db2.gz QVSJNCNYAQEMIP-CYBMUJFWSA-N 1 2 274.339 1.995 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1OCC[C@H]1C(C)C ZINC001085601228 926196102 /nfs/dbraw/zinc/19/61/02/926196102.db2.gz QRDVVJOQGPVKBJ-ILXRZTDVSA-N 1 2 278.396 1.213 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1OCC[C@H]1C(C)C ZINC001085601228 926196109 /nfs/dbraw/zinc/19/61/09/926196109.db2.gz QRDVVJOQGPVKBJ-ILXRZTDVSA-N 1 2 278.396 1.213 20 30 CDEDLO C=CCn1cnc2c1ncnc2Nc1ccc(N)[nH+]c1 ZINC001201279591 926237665 /nfs/dbraw/zinc/23/76/65/926237665.db2.gz XWCRYRRKXANQPJ-UHFFFAOYSA-N 1 2 267.296 1.733 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2nc(C)oc2c1 ZINC001085652169 926250294 /nfs/dbraw/zinc/25/02/94/926250294.db2.gz OIZAHXJVKRYAMX-AWEZNQCLSA-N 1 2 297.358 1.916 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2nc(C)oc2c1 ZINC001085652169 926250301 /nfs/dbraw/zinc/25/03/01/926250301.db2.gz OIZAHXJVKRYAMX-AWEZNQCLSA-N 1 2 297.358 1.916 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C12CCC(CC1)C2 ZINC001085675057 926266508 /nfs/dbraw/zinc/26/65/08/926266508.db2.gz KAMIKSOSDHBPRL-NPCAHTBFSA-N 1 2 260.381 1.733 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C12CCC(CC1)C2 ZINC001085675057 926266514 /nfs/dbraw/zinc/26/65/14/926266514.db2.gz KAMIKSOSDHBPRL-NPCAHTBFSA-N 1 2 260.381 1.733 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnoc1-c1ccco1 ZINC001085677897 926283198 /nfs/dbraw/zinc/28/31/98/926283198.db2.gz XGCDCXXHAABQHH-GFCCVEGCSA-N 1 2 299.330 1.714 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnoc1-c1ccco1 ZINC001085677897 926283205 /nfs/dbraw/zinc/28/32/05/926283205.db2.gz XGCDCXXHAABQHH-GFCCVEGCSA-N 1 2 299.330 1.714 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1COC ZINC001085694235 926296722 /nfs/dbraw/zinc/29/67/22/926296722.db2.gz BDZSEMGCINJKAZ-HNNXBMFYSA-N 1 2 286.375 1.613 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1COC ZINC001085694235 926296727 /nfs/dbraw/zinc/29/67/27/926296727.db2.gz BDZSEMGCINJKAZ-HNNXBMFYSA-N 1 2 286.375 1.613 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2ncccc2o1 ZINC001085727726 926329512 /nfs/dbraw/zinc/32/95/12/926329512.db2.gz GEZCOSQUZVYFET-ZDUSSCGKSA-N 1 2 297.358 1.997 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2ncccc2o1 ZINC001085727726 926329519 /nfs/dbraw/zinc/32/95/19/926329519.db2.gz GEZCOSQUZVYFET-ZDUSSCGKSA-N 1 2 297.358 1.997 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)co1 ZINC001085773677 926382537 /nfs/dbraw/zinc/38/25/37/926382537.db2.gz JNXDYACCNQDDAS-ZDUSSCGKSA-N 1 2 260.337 1.758 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)co1 ZINC001085773677 926382543 /nfs/dbraw/zinc/38/25/43/926382543.db2.gz JNXDYACCNQDDAS-ZDUSSCGKSA-N 1 2 260.337 1.758 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)c2ccco2)C1 ZINC001108209109 926395780 /nfs/dbraw/zinc/39/57/80/926395780.db2.gz IXSBMMGGPIHMOM-CJNGLKHVSA-N 1 2 292.379 1.776 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)c2ccco2)C1 ZINC001108209109 926395790 /nfs/dbraw/zinc/39/57/90/926395790.db2.gz IXSBMMGGPIHMOM-CJNGLKHVSA-N 1 2 292.379 1.776 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2cc[nH]c2c1 ZINC001085844235 926443636 /nfs/dbraw/zinc/44/36/36/926443636.db2.gz HZBZVOZPQSJNNH-OAHLLOKOSA-N 1 2 281.359 1.947 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2cc[nH]c2c1 ZINC001085844235 926443640 /nfs/dbraw/zinc/44/36/40/926443640.db2.gz HZBZVOZPQSJNNH-OAHLLOKOSA-N 1 2 281.359 1.947 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C2CC2)no1 ZINC001085846569 926448589 /nfs/dbraw/zinc/44/85/89/926448589.db2.gz MMHDBMPGNGNVLK-LBPRGKRZSA-N 1 2 273.336 1.332 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C2CC2)no1 ZINC001085846569 926448597 /nfs/dbraw/zinc/44/85/97/926448597.db2.gz MMHDBMPGNGNVLK-LBPRGKRZSA-N 1 2 273.336 1.332 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1C(F)F ZINC001085917832 926501619 /nfs/dbraw/zinc/50/16/19/926501619.db2.gz LDBYBLYOXBYCTO-SNVBAGLBSA-N 1 2 296.321 1.137 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(C)c1C(F)F ZINC001085917832 926501625 /nfs/dbraw/zinc/50/16/25/926501625.db2.gz LDBYBLYOXBYCTO-SNVBAGLBSA-N 1 2 296.321 1.137 20 30 CDEDLO N#Cc1nccnc1N1CC[NH+](CCC(F)(F)F)CC1 ZINC001202345495 926528077 /nfs/dbraw/zinc/52/80/77/926528077.db2.gz CQHJFCKQWOTNDK-UHFFFAOYSA-N 1 2 285.273 1.423 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)NC(=O)c2ccccc2)CC1 ZINC001202452608 926573788 /nfs/dbraw/zinc/57/37/88/926573788.db2.gz WZBZUTJYUKDNSO-UHFFFAOYSA-N 1 2 273.336 1.340 20 30 CDEDLO C#Cc1cccc(-c2[nH+]ncc3c2OCCN3C)c1 ZINC001241917456 927247721 /nfs/dbraw/zinc/24/77/21/927247721.db2.gz PXMIMLNJPZSIEJ-UHFFFAOYSA-N 1 2 251.289 1.954 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@]2(C)CCCOC2)C1 ZINC001108310766 927382941 /nfs/dbraw/zinc/38/29/41/927382941.db2.gz RTNUWVQEXRBJQM-CVEARBPZSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@]2(C)CCCOC2)C1 ZINC001108310766 927382953 /nfs/dbraw/zinc/38/29/53/927382953.db2.gz RTNUWVQEXRBJQM-CVEARBPZSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(F)s2)C1 ZINC001108437647 927662907 /nfs/dbraw/zinc/66/29/07/927662907.db2.gz OGRWXOIRWSPFLC-CQSZACIVSA-N 1 2 298.383 1.894 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(F)s2)C1 ZINC001108437647 927662911 /nfs/dbraw/zinc/66/29/11/927662911.db2.gz OGRWXOIRWSPFLC-CQSZACIVSA-N 1 2 298.383 1.894 20 30 CDEDLO CC[C@H](C)[C@H](Nc1cc(C2(C#N)CC2)cc[nH+]1)C(N)=O ZINC001169159629 927794854 /nfs/dbraw/zinc/79/48/54/927794854.db2.gz UVIICYRRHNFQOW-GWCFXTLKSA-N 1 2 272.352 1.949 20 30 CDEDLO CCOC(=O)c1c(C)cc(N2CC[NH2+]C[C@@H]2C#N)nc1C ZINC001156319759 928037934 /nfs/dbraw/zinc/03/79/34/928037934.db2.gz DLTVMTYVNIEJKH-LBPRGKRZSA-N 1 2 288.351 1.177 20 30 CDEDLO C=CCOC[C@H](O)CNc1[nH+]cccc1OCC ZINC001252454439 928421039 /nfs/dbraw/zinc/42/10/39/928421039.db2.gz OMZPIZUDFWZSCY-LLVKDONJSA-N 1 2 252.314 1.456 20 30 CDEDLO CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001109246085 928850560 /nfs/dbraw/zinc/85/05/60/928850560.db2.gz OBYFPRWGAGYXHW-AGIUHOORSA-N 1 2 252.333 1.337 20 30 CDEDLO CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001109246085 928850570 /nfs/dbraw/zinc/85/05/70/928850570.db2.gz OBYFPRWGAGYXHW-AGIUHOORSA-N 1 2 252.333 1.337 20 30 CDEDLO C=C[C@](C)(O)CNc1ccc[nH+]c1N1CCOCC1 ZINC001252544388 929042258 /nfs/dbraw/zinc/04/22/58/929042258.db2.gz ZXESEWMXWGHEIN-AWEZNQCLSA-N 1 2 263.341 1.267 20 30 CDEDLO C#CCCCC(=O)N[C@H](CNc1cc[nH+]c(C)n1)C1CC1 ZINC001109816881 929057544 /nfs/dbraw/zinc/05/75/44/929057544.db2.gz IUKDSMGNJZLWEG-CQSZACIVSA-N 1 2 286.379 1.895 20 30 CDEDLO C=C[C@@](C)(O)C[N@@H+]1CCc2nc(Cl)ncc2C1 ZINC001252554524 929172958 /nfs/dbraw/zinc/17/29/58/929172958.db2.gz IEQSYOIREJOABC-GFCCVEGCSA-N 1 2 253.733 1.425 20 30 CDEDLO C=C[C@@](C)(O)C[N@H+]1CCc2nc(Cl)ncc2C1 ZINC001252554524 929172967 /nfs/dbraw/zinc/17/29/67/929172967.db2.gz IEQSYOIREJOABC-GFCCVEGCSA-N 1 2 253.733 1.425 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[NH2+]Cc1nn(C)cc1Cl ZINC001134412039 929737711 /nfs/dbraw/zinc/73/77/11/929737711.db2.gz RGFRBHQHHNRZQG-UHFFFAOYSA-N 1 2 298.818 1.882 20 30 CDEDLO O=C1C=C2C[N@H+]([C@H]3CCCOCC3)CC[C@H]2S1 ZINC001170811463 930172722 /nfs/dbraw/zinc/17/27/22/930172722.db2.gz LXNIABAALNDMSR-NWDGAFQWSA-N 1 2 253.367 1.830 20 30 CDEDLO O=C1C=C2C[N@@H+]([C@H]3CCCOCC3)CC[C@H]2S1 ZINC001170811463 930172729 /nfs/dbraw/zinc/17/27/29/930172729.db2.gz LXNIABAALNDMSR-NWDGAFQWSA-N 1 2 253.367 1.830 20 30 CDEDLO COc1cccc(O)c1/C=N\CC[N@@H+]1CCOC[C@@H]1C ZINC001115993128 937427050 /nfs/dbraw/zinc/42/70/50/937427050.db2.gz WPCRHLWFACEXKU-KPENOIPVSA-N 1 2 278.352 1.540 20 30 CDEDLO COc1cccc(O)c1/C=N\CC[N@H+]1CCOC[C@@H]1C ZINC001115993128 937427052 /nfs/dbraw/zinc/42/70/52/937427052.db2.gz WPCRHLWFACEXKU-KPENOIPVSA-N 1 2 278.352 1.540 20 30 CDEDLO Cn1c[nH+]cc1C[S@](=O)CCCC(C)(C)C#N ZINC001116255968 937438919 /nfs/dbraw/zinc/43/89/19/937438919.db2.gz ROWUYHNYROZILQ-QGZVFWFLSA-N 1 2 253.371 1.999 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cnsc2)C1=O ZINC001274514871 931505463 /nfs/dbraw/zinc/50/54/63/931505463.db2.gz JSKGANHJBPPNDP-CQSZACIVSA-N 1 2 275.377 1.343 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cnsc2)C1=O ZINC001274514871 931505464 /nfs/dbraw/zinc/50/54/64/931505464.db2.gz JSKGANHJBPPNDP-CQSZACIVSA-N 1 2 275.377 1.343 20 30 CDEDLO C[C@@]1(CO)CC[N@H+](Cc2c(Cl)cccc2C#N)C[C@@H]1O ZINC001143716636 931522944 /nfs/dbraw/zinc/52/29/44/931522944.db2.gz SUMCBTBGKIUIQQ-GJZGRUSLSA-N 1 2 294.782 1.777 20 30 CDEDLO C[C@@]1(CO)CC[N@@H+](Cc2c(Cl)cccc2C#N)C[C@@H]1O ZINC001143716636 931522950 /nfs/dbraw/zinc/52/29/50/931522950.db2.gz SUMCBTBGKIUIQQ-GJZGRUSLSA-N 1 2 294.782 1.777 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(O)cn2)C1 ZINC001144269523 931729905 /nfs/dbraw/zinc/72/99/05/931729905.db2.gz RWRBSQWPCSHMQQ-CYBMUJFWSA-N 1 2 291.351 1.664 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(O)cn2)C1 ZINC001144269523 931729908 /nfs/dbraw/zinc/72/99/08/931729908.db2.gz RWRBSQWPCSHMQQ-CYBMUJFWSA-N 1 2 291.351 1.664 20 30 CDEDLO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(C#N)c1O)C2 ZINC001275735058 931987196 /nfs/dbraw/zinc/98/71/96/931987196.db2.gz ZGHOHYRTCHPONE-KRWDZBQOSA-N 1 2 299.374 1.822 20 30 CDEDLO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(C#N)c1O)C2 ZINC001275735058 931987201 /nfs/dbraw/zinc/98/72/01/931987201.db2.gz ZGHOHYRTCHPONE-KRWDZBQOSA-N 1 2 299.374 1.822 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)c(O)c2)C1 ZINC001154959816 937612149 /nfs/dbraw/zinc/61/21/49/937612149.db2.gz YNPQCPWKRAURRG-GFCCVEGCSA-N 1 2 292.766 1.873 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)c(O)c2)C1 ZINC001154959816 937612152 /nfs/dbraw/zinc/61/21/52/937612152.db2.gz YNPQCPWKRAURRG-GFCCVEGCSA-N 1 2 292.766 1.873 20 30 CDEDLO Cc1nc(N[C@@H]2C(=O)N(O)C[C@@H]2C)c2c([nH+]1)CCCC2 ZINC001171362225 932864051 /nfs/dbraw/zinc/86/40/51/932864051.db2.gz ABEZUCUDEZVDOV-UFBFGSQYSA-N 1 2 276.340 1.312 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)nn2C)C1 ZINC001010343446 935453782 /nfs/dbraw/zinc/45/37/82/935453782.db2.gz VVVOQVZVPJNNPU-LLVKDONJSA-N 1 2 282.775 1.285 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)nn2C)C1 ZINC001010343446 935453787 /nfs/dbraw/zinc/45/37/87/935453787.db2.gz VVVOQVZVPJNNPU-LLVKDONJSA-N 1 2 282.775 1.285 20 30 CDEDLO C=CCOCC(=O)N1C[C@@H](Nc2cc[nH+]c(C)n2)C[C@H]1C ZINC001123213552 936126391 /nfs/dbraw/zinc/12/63/91/936126391.db2.gz LQOCCSCJEXIKME-YPMHNXCESA-N 1 2 290.367 1.389 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122378050 937926903 /nfs/dbraw/zinc/92/69/03/937926903.db2.gz FXTJHJKUWVLIMC-STQMWFEESA-N 1 2 292.383 1.276 20 30 CDEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)OC ZINC001122440622 937932001 /nfs/dbraw/zinc/93/20/01/937932001.db2.gz GPQRUOJFENHUCJ-NSHDSACASA-N 1 2 265.361 1.619 20 30 CDEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)OC ZINC001122440622 937932002 /nfs/dbraw/zinc/93/20/02/937932002.db2.gz GPQRUOJFENHUCJ-NSHDSACASA-N 1 2 265.361 1.619 20 30 CDEDLO CSc1cc(Cl)ncc1N1CC[NH2+]C[C@@H]1C#N ZINC001156319749 938351228 /nfs/dbraw/zinc/35/12/28/938351228.db2.gz DEXPGICDQDIIJO-QMMMGPOBSA-N 1 2 268.773 1.759 20 30 CDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001157125262 938457541 /nfs/dbraw/zinc/45/75/41/938457541.db2.gz UMIHOCMJVWPXRA-CYBMUJFWSA-N 1 2 292.383 1.620 20 30 CDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001157125262 938457544 /nfs/dbraw/zinc/45/75/44/938457544.db2.gz UMIHOCMJVWPXRA-CYBMUJFWSA-N 1 2 292.383 1.620 20 30 CDEDLO CCN(c1nccc(Cl)c1C#N)C1C[NH+](C)C1 ZINC001157455506 938494741 /nfs/dbraw/zinc/49/47/41/938494741.db2.gz NBWGWJCDXQXWBN-UHFFFAOYSA-N 1 2 250.733 1.747 20 30 CDEDLO Cc1ccc(C#N)c(N[C@@H]2CCC[N@@H+](C3COC3)C2)n1 ZINC001157581012 938515413 /nfs/dbraw/zinc/51/54/13/938515413.db2.gz UZNHZQXUUBOHNZ-CYBMUJFWSA-N 1 2 272.352 1.537 20 30 CDEDLO Cc1ccc(C#N)c(N[C@@H]2CCC[N@H+](C3COC3)C2)n1 ZINC001157581012 938515414 /nfs/dbraw/zinc/51/54/14/938515414.db2.gz UZNHZQXUUBOHNZ-CYBMUJFWSA-N 1 2 272.352 1.537 20 30 CDEDLO Cc1cc(C#N)cc(N2CC([N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC001158726664 938657421 /nfs/dbraw/zinc/65/74/21/938657421.db2.gz HQLWWURXGQSFKW-BETUJISGSA-N 1 2 286.379 1.560 20 30 CDEDLO Cc1cc(C#N)cc(N2CC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC001158726664 938657424 /nfs/dbraw/zinc/65/74/24/938657424.db2.gz HQLWWURXGQSFKW-BETUJISGSA-N 1 2 286.379 1.560 20 30 CDEDLO CC(=O)NC[C@@H](C)CNc1[nH+]cc(C)cc1/C=N/O ZINC001160654847 938808772 /nfs/dbraw/zinc/80/87/72/938808772.db2.gz BTNOHKJYTNMCCN-UWOUAGFBSA-N 1 2 264.329 1.382 20 30 CDEDLO COCCOc1cc(CNc2cc(CC#N)cc[nH+]2)ncn1 ZINC001162110740 938956409 /nfs/dbraw/zinc/95/64/09/938956409.db2.gz UPWKNYHXTJPQMF-UHFFFAOYSA-N 1 2 299.334 1.575 20 30 CDEDLO COc1cc(NC[C@H]([NH3+])C(=O)OC(C)(C)C)ncc1C#N ZINC001162850392 939153310 /nfs/dbraw/zinc/15/33/10/939153310.db2.gz ZPFQDJYHBVOTFW-JTQLQIEISA-N 1 2 292.339 1.043 20 30 CDEDLO C[C@@]1(O)CCN(c2[nH+]ccc3[nH]cc(C#N)c32)C[C@@H]1F ZINC001164288679 939447660 /nfs/dbraw/zinc/44/76/60/939447660.db2.gz HAHLQXJNGTWLOD-SMDDNHRTSA-N 1 2 274.299 1.734 20 30 CDEDLO Cc1cc(C(F)(F)N2CC[NH2+]C[C@H]2C#N)cc(Cl)n1 ZINC001164625702 939500213 /nfs/dbraw/zinc/50/02/13/939500213.db2.gz KBXKZHFYTAPSEO-SNVBAGLBSA-N 1 2 286.713 1.890 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1c1ccc(C2(C#N)CCC2)cn1 ZINC001164652905 939502267 /nfs/dbraw/zinc/50/22/67/939502267.db2.gz UZLBQAMXPJKVIJ-CYBMUJFWSA-N 1 2 267.336 1.329 20 30 CDEDLO CC(C)(C)N(C[C@@H](O)CO)c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001165233986 939530031 /nfs/dbraw/zinc/53/00/31/939530031.db2.gz MJXIQLJRTMHKOU-LLVKDONJSA-N 1 2 288.351 1.393 20 30 CDEDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCS1 ZINC001207110379 940151622 /nfs/dbraw/zinc/15/16/22/940151622.db2.gz JRLUHXSMRRHAQI-ZDUSSCGKSA-N 1 2 293.392 1.377 20 30 CDEDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CCS1 ZINC001207110379 940151625 /nfs/dbraw/zinc/15/16/25/940151625.db2.gz JRLUHXSMRRHAQI-ZDUSSCGKSA-N 1 2 293.392 1.377 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2nonc2C)C[C@H]1C ZINC001207190821 940165517 /nfs/dbraw/zinc/16/55/17/940165517.db2.gz WJZRYWDRLMBBHH-DGCLKSJQSA-N 1 2 292.383 1.671 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2nonc2C)C[C@H]1C ZINC001207190821 940165520 /nfs/dbraw/zinc/16/55/20/940165520.db2.gz WJZRYWDRLMBBHH-DGCLKSJQSA-N 1 2 292.383 1.671 20 30 CDEDLO C=CCCCC[N@H+]1C[C@@](O)(C(F)(F)F)C[C@H]1C(=O)OC ZINC001209201929 940446285 /nfs/dbraw/zinc/44/62/85/940446285.db2.gz ZSXPUEUFLCLBTN-CMPLNLGQSA-N 1 2 295.301 1.883 20 30 CDEDLO C=CCCCC[N@@H+]1C[C@@](O)(C(F)(F)F)C[C@H]1C(=O)OC ZINC001209201929 940446289 /nfs/dbraw/zinc/44/62/89/940446289.db2.gz ZSXPUEUFLCLBTN-CMPLNLGQSA-N 1 2 295.301 1.883 20 30 CDEDLO C#Cc1cc(Nc2cccc3c2OCCO3)cc[nH+]1 ZINC001210366679 940686314 /nfs/dbraw/zinc/68/63/14/940686314.db2.gz CYXKZKTZNDEDJS-UHFFFAOYSA-N 1 2 252.273 2.000 20 30 CDEDLO C=CCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001215427569 940885857 /nfs/dbraw/zinc/88/58/57/940885857.db2.gz DAUSKWCSXWJVQU-DGCLKSJQSA-N 1 2 292.383 1.671 20 30 CDEDLO C[C@@H]1C[N@H+](C[C@H](O)c2cccc(C#N)c2)CC[S@](=O)C1 ZINC001473385042 970786799 /nfs/dbraw/zinc/78/67/99/970786799.db2.gz NPCIIJCIKSXGMX-RAJNIJHNSA-N 1 2 292.404 1.292 20 30 CDEDLO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc(C#N)c2)CC[S@](=O)C1 ZINC001473385042 970786804 /nfs/dbraw/zinc/78/68/04/970786804.db2.gz NPCIIJCIKSXGMX-RAJNIJHNSA-N 1 2 292.404 1.292 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)OC)[C@@H]2C1 ZINC001221431000 941534458 /nfs/dbraw/zinc/53/44/58/941534458.db2.gz WLZYJYJCOOXOKD-YNEHKIRRSA-N 1 2 286.803 1.697 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)OC)[C@@H]2C1 ZINC001221431000 941534461 /nfs/dbraw/zinc/53/44/61/941534461.db2.gz WLZYJYJCOOXOKD-YNEHKIRRSA-N 1 2 286.803 1.697 20 30 CDEDLO C=CCn1cc(C[NH+]2CC3(C[C@H]3C(=O)N3CC=CC3)C2)cn1 ZINC001277035653 941846261 /nfs/dbraw/zinc/84/62/61/941846261.db2.gz PLWHTVZMNCABHU-HNNXBMFYSA-N 1 2 298.390 1.289 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4nccnc4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226923944 942094545 /nfs/dbraw/zinc/09/45/45/942094545.db2.gz KCJIGTVZGYSDRP-LSVRBPJHSA-N 1 2 284.319 1.016 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4nccnc4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226923944 942094547 /nfs/dbraw/zinc/09/45/47/942094547.db2.gz KCJIGTVZGYSDRP-LSVRBPJHSA-N 1 2 284.319 1.016 20 30 CDEDLO Cc1ccnc(C[NH+]2CCC(NC(=O)C#CC3CC3)CC2)n1 ZINC001227232887 942154531 /nfs/dbraw/zinc/15/45/31/942154531.db2.gz LNQMTPAIQCWELJ-UHFFFAOYSA-N 1 2 298.390 1.279 20 30 CDEDLO Cc1conc1C[NH+]1CCC(NC(=O)C#CC(C)C)CC1 ZINC001227265594 942160827 /nfs/dbraw/zinc/16/08/27/942160827.db2.gz LTYADCJWEGGYKG-UHFFFAOYSA-N 1 2 289.379 1.723 20 30 CDEDLO CC(=O)Nc1cccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001227418082 942174357 /nfs/dbraw/zinc/17/43/57/942174357.db2.gz AABBIIZBSYRRJU-JGPUMOJJSA-N 1 2 288.347 1.636 20 30 CDEDLO CC(=O)Nc1cccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001227418082 942174359 /nfs/dbraw/zinc/17/43/59/942174359.db2.gz AABBIIZBSYRRJU-JGPUMOJJSA-N 1 2 288.347 1.636 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Oc1cc(F)c(C#N)c(F)c1 ZINC001228221394 942282602 /nfs/dbraw/zinc/28/26/02/942282602.db2.gz PTXSYVVAUZOUSF-SNVBAGLBSA-N 1 2 282.290 1.936 20 30 CDEDLO Cc1[nH]c2ccc(O[C@@H]3CCN(CC#N)C3)cc2[nH+]1 ZINC001228328628 942299878 /nfs/dbraw/zinc/29/98/78/942299878.db2.gz HNWFYYBPYGXJLM-GFCCVEGCSA-N 1 2 256.309 1.848 20 30 CDEDLO N#C[C@H](CCc1ccccc1)C(=O)NCCc1[nH]cc[nH+]1 ZINC001362104822 970890988 /nfs/dbraw/zinc/89/09/88/970890988.db2.gz WNFZAFANWJXRGZ-AWEZNQCLSA-N 1 2 282.347 1.841 20 30 CDEDLO CSc1ncc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cn1 ZINC001228857346 942385182 /nfs/dbraw/zinc/38/51/82/942385182.db2.gz QERRMMOBMAYABE-ZQLNZSQWSA-N 1 2 279.365 1.190 20 30 CDEDLO CSc1ncc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cn1 ZINC001228857346 942385188 /nfs/dbraw/zinc/38/51/88/942385188.db2.gz QERRMMOBMAYABE-ZQLNZSQWSA-N 1 2 279.365 1.190 20 30 CDEDLO CCO[C@H](C)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230519724 942629906 /nfs/dbraw/zinc/62/99/06/942629906.db2.gz WIEFXASUWDLHOS-HIFRSBDPSA-N 1 2 293.411 1.638 20 30 CDEDLO CCO[C@H](C)C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001230519724 942629910 /nfs/dbraw/zinc/62/99/10/942629910.db2.gz WIEFXASUWDLHOS-HIFRSBDPSA-N 1 2 293.411 1.638 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)CSCCC ZINC001230925788 942735581 /nfs/dbraw/zinc/73/55/81/942735581.db2.gz PZMJKPRVGKOEHH-LBPRGKRZSA-N 1 2 254.399 1.296 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)CSCCC ZINC001230925788 942735584 /nfs/dbraw/zinc/73/55/84/942735584.db2.gz PZMJKPRVGKOEHH-LBPRGKRZSA-N 1 2 254.399 1.296 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(C)no1 ZINC001231115546 942788757 /nfs/dbraw/zinc/78/87/57/942788757.db2.gz WDYSWUAIKOZLHY-ZDUSSCGKSA-N 1 2 277.368 1.982 20 30 CDEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(C)no1 ZINC001231115546 942788761 /nfs/dbraw/zinc/78/87/61/942788761.db2.gz WDYSWUAIKOZLHY-ZDUSSCGKSA-N 1 2 277.368 1.982 20 30 CDEDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2CC(=O)c1cccc(C#N)c1 ZINC001277506053 942852607 /nfs/dbraw/zinc/85/26/07/942852607.db2.gz JRWPXZUAINKIID-OKILXGFUSA-N 1 2 255.321 1.129 20 30 CDEDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2CC(=O)c1cccc(C#N)c1 ZINC001277506053 942852611 /nfs/dbraw/zinc/85/26/11/942852611.db2.gz JRWPXZUAINKIID-OKILXGFUSA-N 1 2 255.321 1.129 20 30 CDEDLO C=CCOc1cccc(C[NH+]2CC3(C2)CS(=O)C3)c1 ZINC001231621132 942945845 /nfs/dbraw/zinc/94/58/45/942945845.db2.gz QOMLTSOFXWBZOO-UHFFFAOYSA-N 1 2 277.389 1.816 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(OC)nc2C)CC1 ZINC001232335855 943223105 /nfs/dbraw/zinc/22/31/05/943223105.db2.gz FXEZNZAUEQSBQU-UHFFFAOYSA-N 1 2 259.353 1.149 20 30 CDEDLO C#CCN1CC[NH+](Cc2ccc(OC)nc2C)CC1 ZINC001232335855 943223108 /nfs/dbraw/zinc/22/31/08/943223108.db2.gz FXEZNZAUEQSBQU-UHFFFAOYSA-N 1 2 259.353 1.149 20 30 CDEDLO C=C(C)C[N@@H+](CC)Cc1c(OC)ncnc1OC ZINC001232517628 943315787 /nfs/dbraw/zinc/31/57/87/943315787.db2.gz NKRJRUWSRIITNU-UHFFFAOYSA-N 1 2 251.330 1.892 20 30 CDEDLO C=C(C)C[N@H+](CC)Cc1c(OC)ncnc1OC ZINC001232517628 943315794 /nfs/dbraw/zinc/31/57/94/943315794.db2.gz NKRJRUWSRIITNU-UHFFFAOYSA-N 1 2 251.330 1.892 20 30 CDEDLO COC(=O)CC[N@H+](Cc1cc(C#N)ccc1O)C1CC1 ZINC001232678339 943360712 /nfs/dbraw/zinc/36/07/12/943360712.db2.gz VSONLXZFRVGCQR-UHFFFAOYSA-N 1 2 274.320 1.791 20 30 CDEDLO COC(=O)CC[N@@H+](Cc1cc(C#N)ccc1O)C1CC1 ZINC001232678339 943360716 /nfs/dbraw/zinc/36/07/16/943360716.db2.gz VSONLXZFRVGCQR-UHFFFAOYSA-N 1 2 274.320 1.791 20 30 CDEDLO CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)n1 ZINC001232924674 943434460 /nfs/dbraw/zinc/43/44/60/943434460.db2.gz SEMQIBDGEFADKY-OAHLLOKOSA-N 1 2 286.379 1.834 20 30 CDEDLO CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C#N)n1 ZINC001232924674 943434464 /nfs/dbraw/zinc/43/44/64/943434464.db2.gz SEMQIBDGEFADKY-OAHLLOKOSA-N 1 2 286.379 1.834 20 30 CDEDLO CC1(C)C[N@@H+](C2CN(Cc3cccc(C#N)n3)C2)CCO1 ZINC001232925638 943436461 /nfs/dbraw/zinc/43/64/61/943436461.db2.gz JCEXUQSMTVUKKS-UHFFFAOYSA-N 1 2 286.379 1.248 20 30 CDEDLO CC1(C)C[N@H+](C2CN(Cc3cccc(C#N)n3)C2)CCO1 ZINC001232925638 943436464 /nfs/dbraw/zinc/43/64/64/943436464.db2.gz JCEXUQSMTVUKKS-UHFFFAOYSA-N 1 2 286.379 1.248 20 30 CDEDLO COc1cc(O[C@@H]2CC[N@H+](Cc3[nH]ccc3C#N)C2)ccn1 ZINC001233048643 943476240 /nfs/dbraw/zinc/47/62/40/943476240.db2.gz IOHMZNWOHMZNHJ-CQSZACIVSA-N 1 2 298.346 1.943 20 30 CDEDLO COc1cc(O[C@@H]2CC[N@@H+](Cc3[nH]ccc3C#N)C2)ccn1 ZINC001233048643 943476242 /nfs/dbraw/zinc/47/62/42/943476242.db2.gz IOHMZNWOHMZNHJ-CQSZACIVSA-N 1 2 298.346 1.943 20 30 CDEDLO N#Cc1cc[nH]c1C[NH+]1CCC(N2CCCC2=O)CC1 ZINC001233048077 943476490 /nfs/dbraw/zinc/47/64/90/943476490.db2.gz USIHKBIZPHNPKY-UHFFFAOYSA-N 1 2 272.352 1.473 20 30 CDEDLO CN(C)c1ccc(CN2CCn3c[nH+]cc3C2)c(F)c1C#N ZINC001233102422 943490973 /nfs/dbraw/zinc/49/09/73/943490973.db2.gz YYJYSTDFNVOPSZ-UHFFFAOYSA-N 1 2 299.353 1.976 20 30 CDEDLO CN(C[C@H]1CC[N@@H+]1C/C=C\Cl)C(=O)C#CC1CC1 ZINC001234197138 943774027 /nfs/dbraw/zinc/77/40/27/943774027.db2.gz XOHABEBOMQFGTN-ZUNOPDERSA-N 1 2 266.772 1.685 20 30 CDEDLO CN(C[C@H]1CC[N@H+]1C/C=C\Cl)C(=O)C#CC1CC1 ZINC001234197138 943774032 /nfs/dbraw/zinc/77/40/32/943774032.db2.gz XOHABEBOMQFGTN-ZUNOPDERSA-N 1 2 266.772 1.685 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001234425652 943833821 /nfs/dbraw/zinc/83/38/21/943833821.db2.gz ORUKESMZTMZWFK-NXEZZACHSA-N 1 2 282.281 1.996 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001234425652 943833827 /nfs/dbraw/zinc/83/38/27/943833827.db2.gz ORUKESMZTMZWFK-NXEZZACHSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1nccn1C ZINC001235480019 944169685 /nfs/dbraw/zinc/16/96/85/944169685.db2.gz HRDVFAZBOHRXSU-UHFFFAOYSA-N 1 2 264.373 1.324 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1nccn1C ZINC001235480019 944169682 /nfs/dbraw/zinc/16/96/82/944169682.db2.gz HRDVFAZBOHRXSU-UHFFFAOYSA-N 1 2 264.373 1.324 20 30 CDEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1CCCCO ZINC001235488834 944171636 /nfs/dbraw/zinc/17/16/36/944171636.db2.gz NBIOBFPTAKBRKL-CQSZACIVSA-N 1 2 294.399 1.172 20 30 CDEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1CCCCO ZINC001235488834 944171639 /nfs/dbraw/zinc/17/16/39/944171639.db2.gz NBIOBFPTAKBRKL-CQSZACIVSA-N 1 2 294.399 1.172 20 30 CDEDLO C[C@@]1(CO)CC[N@H+](Cc2c(F)cc(C#N)cc2F)C[C@H]1O ZINC001235650242 944231769 /nfs/dbraw/zinc/23/17/69/944231769.db2.gz DHCZYTZGWMZRHN-CABCVRRESA-N 1 2 296.317 1.402 20 30 CDEDLO C[C@@]1(CO)CC[N@@H+](Cc2c(F)cc(C#N)cc2F)C[C@H]1O ZINC001235650242 944231777 /nfs/dbraw/zinc/23/17/77/944231777.db2.gz DHCZYTZGWMZRHN-CABCVRRESA-N 1 2 296.317 1.402 20 30 CDEDLO CCn1c[nH+]cc1CN1CCC(C#N)(C(=O)OC)CC1 ZINC001237594735 944864447 /nfs/dbraw/zinc/86/44/47/944864447.db2.gz WXHZGPWPPDGYEX-UHFFFAOYSA-N 1 2 276.340 1.182 20 30 CDEDLO COC(=O)c1ccc(-c2ccc[nH+]c2N)c(C#N)c1 ZINC001243473960 947126841 /nfs/dbraw/zinc/12/68/41/947126841.db2.gz GKDFOJGLBWESTA-UHFFFAOYSA-N 1 2 253.261 1.989 20 30 CDEDLO CCOC(=O)CN1CCC([N@@H+]2CCC[C@H]2C#N)CC1 ZINC001254401750 947421792 /nfs/dbraw/zinc/42/17/92/947421792.db2.gz CGQHADPGKSDPQK-ZDUSSCGKSA-N 1 2 265.357 1.002 20 30 CDEDLO CCOC(=O)CN1CCC([N@H+]2CCC[C@H]2C#N)CC1 ZINC001254401750 947421797 /nfs/dbraw/zinc/42/17/97/947421797.db2.gz CGQHADPGKSDPQK-ZDUSSCGKSA-N 1 2 265.357 1.002 20 30 CDEDLO C=C[C@H](COC)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001255012911 947689881 /nfs/dbraw/zinc/68/98/81/947689881.db2.gz BWVOHXNHUGVSIC-CHWSQXEVSA-N 1 2 290.367 1.161 20 30 CDEDLO COc1cccc2c1CC[C@H](N1CC[NH2+]C[C@H]1C#N)C2 ZINC001256647678 948382646 /nfs/dbraw/zinc/38/26/46/948382646.db2.gz UMJFBSXACAIOPZ-UONOGXRCSA-N 1 2 271.364 1.350 20 30 CDEDLO COC(=O)CC[C@H]([NH2+]C1CCC(C#N)CC1)C(=O)OC ZINC001256956669 948463233 /nfs/dbraw/zinc/46/32/33/948463233.db2.gz YVQQFTPPFABWDI-MCIGGMRASA-N 1 2 282.340 1.153 20 30 CDEDLO CCc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2COC[C@H](C1)C2=O ZINC001248752781 949125414 /nfs/dbraw/zinc/12/54/14/949125414.db2.gz AWQBAXNDJWPJBL-IYBDPMFKSA-N 1 2 284.359 1.768 20 30 CDEDLO CCc1cc(C#N)ccc1C[N@H+]1C[C@@H]2COC[C@H](C1)C2=O ZINC001248752781 949125430 /nfs/dbraw/zinc/12/54/30/949125430.db2.gz AWQBAXNDJWPJBL-IYBDPMFKSA-N 1 2 284.359 1.768 20 30 CDEDLO N#Cc1ccn2ncc(C[N@@H+]3CCCC34COC4)c2c1 ZINC001249107693 949385301 /nfs/dbraw/zinc/38/53/01/949385301.db2.gz ZKQFLBVCVLDUMQ-UHFFFAOYSA-N 1 2 268.320 1.571 20 30 CDEDLO N#Cc1ccn2ncc(C[N@H+]3CCCC34COC4)c2c1 ZINC001249107693 949385323 /nfs/dbraw/zinc/38/53/23/949385323.db2.gz ZKQFLBVCVLDUMQ-UHFFFAOYSA-N 1 2 268.320 1.571 20 30 CDEDLO CSc1nn(-c2c[nH+]c(N)c(C)c2)c(N)c1C#N ZINC001249784164 949790969 /nfs/dbraw/zinc/79/09/69/949790969.db2.gz FSCOKIMMCBVJEW-UHFFFAOYSA-N 1 2 260.326 1.334 20 30 CDEDLO C=C[C@](C)(O)C[N@@H+]1Cc2cccc(C(=O)OC)c2C1 ZINC001252554494 951447256 /nfs/dbraw/zinc/44/72/56/951447256.db2.gz HSFNYMMIEDPBTF-HNNXBMFYSA-N 1 2 261.321 1.726 20 30 CDEDLO C=C[C@](C)(O)C[N@H+]1Cc2cccc(C(=O)OC)c2C1 ZINC001252554494 951447258 /nfs/dbraw/zinc/44/72/58/951447258.db2.gz HSFNYMMIEDPBTF-HNNXBMFYSA-N 1 2 261.321 1.726 20 30 CDEDLO COc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC001253954892 952162139 /nfs/dbraw/zinc/16/21/39/952162139.db2.gz HBHQOTORJRRIBQ-KBPBESRZSA-N 1 2 290.363 1.670 20 30 CDEDLO COc1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC001253954892 952162144 /nfs/dbraw/zinc/16/21/44/952162144.db2.gz HBHQOTORJRRIBQ-KBPBESRZSA-N 1 2 290.363 1.670 20 30 CDEDLO C[C@H]1CC[N@H+](CC(=O)Nc2nc3ccc(C#N)cc3[nH]2)C1 ZINC001363361234 972111738 /nfs/dbraw/zinc/11/17/38/972111738.db2.gz UYTOERNDHFVMHA-JTQLQIEISA-N 1 2 283.335 1.715 20 30 CDEDLO C[C@H]1CC[N@@H+](CC(=O)Nc2nc3ccc(C#N)cc3[nH]2)C1 ZINC001363361234 972111741 /nfs/dbraw/zinc/11/17/41/972111741.db2.gz UYTOERNDHFVMHA-JTQLQIEISA-N 1 2 283.335 1.715 20 30 CDEDLO C=C(Cl)C[NH2+][C@H](C)CNC(=O)c1[nH]nc2c1CCCC2 ZINC001366305329 956724488 /nfs/dbraw/zinc/72/44/88/956724488.db2.gz PWFCLAFLNIPSAZ-SNVBAGLBSA-N 1 2 296.802 1.749 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CCc1cnn(C)c1 ZINC001366643966 957073971 /nfs/dbraw/zinc/07/39/71/957073971.db2.gz JULHTBVUXPRDLP-UHFFFAOYSA-N 1 2 298.818 1.543 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CCc1cnn(C)c1 ZINC001366643966 957073980 /nfs/dbraw/zinc/07/39/80/957073980.db2.gz JULHTBVUXPRDLP-UHFFFAOYSA-N 1 2 298.818 1.543 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc2c[nH]nc21 ZINC001331894128 957319529 /nfs/dbraw/zinc/31/95/29/957319529.db2.gz JZDNLOOXDXNTDN-ZDUSSCGKSA-N 1 2 268.320 1.599 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc2c[nH]nc21 ZINC001331894128 957319537 /nfs/dbraw/zinc/31/95/37/957319537.db2.gz JZDNLOOXDXNTDN-ZDUSSCGKSA-N 1 2 268.320 1.599 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ncoc1C ZINC001367502463 958069497 /nfs/dbraw/zinc/06/94/97/958069497.db2.gz RJCCTKJNJVTWLP-UHFFFAOYSA-N 1 2 271.748 1.739 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ncoc1C ZINC001367502463 958069512 /nfs/dbraw/zinc/06/95/12/958069512.db2.gz RJCCTKJNJVTWLP-UHFFFAOYSA-N 1 2 271.748 1.739 20 30 CDEDLO C=C[C@@H](COC)NC(=O)NCCCCNc1cccc[nH+]1 ZINC001320295366 959058804 /nfs/dbraw/zinc/05/88/04/959058804.db2.gz ZMEVFIRXNMXBKL-ZDUSSCGKSA-N 1 2 292.383 1.774 20 30 CDEDLO C=CC[C@H](NC(=O)[C@H](C)n1cc[nH+]c1)C(=O)OCC ZINC001320420259 959159207 /nfs/dbraw/zinc/15/92/07/959159207.db2.gz LYUKPDNWXPWJPI-QWRGUYRKSA-N 1 2 265.313 1.068 20 30 CDEDLO C=CC[C@@H]1NC(=O)N(Cc2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC001320771894 959379828 /nfs/dbraw/zinc/37/98/28/959379828.db2.gz PPPIOHXOAPJEID-AWEZNQCLSA-N 1 2 296.330 1.869 20 30 CDEDLO Cc1cccc(S(=O)(=O)NCC[NH+]2CC=CC2)c1C#N ZINC001335333508 959722938 /nfs/dbraw/zinc/72/29/38/959722938.db2.gz ULVXXDUYGLKHSY-UHFFFAOYSA-N 1 2 291.376 1.017 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+]CC(=O)Nc1cccnc1 ZINC001335880544 960079184 /nfs/dbraw/zinc/07/91/84/960079184.db2.gz DTMODLNNMJTPRE-LLVKDONJSA-N 1 2 257.297 1.053 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C1CCOCC1 ZINC001420361630 962742807 /nfs/dbraw/zinc/74/28/07/962742807.db2.gz ISMZEDQWAOATMA-UHFFFAOYSA-N 1 2 274.792 1.604 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C1CCOCC1 ZINC001420361630 962742822 /nfs/dbraw/zinc/74/28/22/962742822.db2.gz ISMZEDQWAOATMA-UHFFFAOYSA-N 1 2 274.792 1.604 20 30 CDEDLO C#CCOCC[N@@H+](C)[C@@H](C)c1ncc(Br)cn1 ZINC001346239551 965006646 /nfs/dbraw/zinc/00/66/46/965006646.db2.gz HMBZCJKFXJMFDM-JTQLQIEISA-N 1 2 298.184 1.882 20 30 CDEDLO C#CCOCC[N@H+](C)[C@@H](C)c1ncc(Br)cn1 ZINC001346239551 965006653 /nfs/dbraw/zinc/00/66/53/965006653.db2.gz HMBZCJKFXJMFDM-JTQLQIEISA-N 1 2 298.184 1.882 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1n[nH]c2c1CCCC2 ZINC001442455020 965071818 /nfs/dbraw/zinc/07/18/18/965071818.db2.gz MNBCAEMAFVCVSH-UHFFFAOYSA-N 1 2 296.802 1.703 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1n[nH]c2c1CCCC2 ZINC001442455020 965071827 /nfs/dbraw/zinc/07/18/27/965071827.db2.gz MNBCAEMAFVCVSH-UHFFFAOYSA-N 1 2 296.802 1.703 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)N[C@@H](C#N)C1CCCC1 ZINC001348120761 965830404 /nfs/dbraw/zinc/83/04/04/965830404.db2.gz NWVJIDHWFOEFOR-LBPRGKRZSA-N 1 2 260.341 1.551 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)CCC[N@H+](C)Cc1nccs1 ZINC001447330074 966757783 /nfs/dbraw/zinc/75/77/83/966757783.db2.gz ZBJHHLNZKNKIBU-LLVKDONJSA-N 1 2 280.397 1.583 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)CCC[N@@H+](C)Cc1nccs1 ZINC001447330074 966757788 /nfs/dbraw/zinc/75/77/88/966757788.db2.gz ZBJHHLNZKNKIBU-LLVKDONJSA-N 1 2 280.397 1.583 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(COC)CC2)C1 ZINC001417909007 973467340 /nfs/dbraw/zinc/46/73/40/973467340.db2.gz OSKDAOUEJLWFNA-GFCCVEGCSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(COC)CC2)C1 ZINC001417909007 973467347 /nfs/dbraw/zinc/46/73/47/973467347.db2.gz OSKDAOUEJLWFNA-GFCCVEGCSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)COc1cc(C)on1 ZINC001418467841 973874126 /nfs/dbraw/zinc/87/41/26/973874126.db2.gz CROKMEQOESMABN-UHFFFAOYSA-N 1 2 287.747 1.162 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)COc1cc(C)on1 ZINC001418467841 973874133 /nfs/dbraw/zinc/87/41/33/973874133.db2.gz CROKMEQOESMABN-UHFFFAOYSA-N 1 2 287.747 1.162 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)Cc1nonc1C ZINC001377415027 975013834 /nfs/dbraw/zinc/01/38/34/975013834.db2.gz YYTWYEADCCJWJZ-NSHDSACASA-N 1 2 298.774 1.254 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1nonc1C ZINC001377415027 975013842 /nfs/dbraw/zinc/01/38/42/975013842.db2.gz YYTWYEADCCJWJZ-NSHDSACASA-N 1 2 298.774 1.254 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C1(F)CCOCC1 ZINC001505933671 975050535 /nfs/dbraw/zinc/05/05/35/975050535.db2.gz OVUHCSWFIPGVPR-LLVKDONJSA-N 1 2 292.782 1.694 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C1(F)CCOCC1 ZINC001505933671 975050538 /nfs/dbraw/zinc/05/05/38/975050538.db2.gz OVUHCSWFIPGVPR-LLVKDONJSA-N 1 2 292.782 1.694 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1nonc1C ZINC001506029248 975092206 /nfs/dbraw/zinc/09/22/06/975092206.db2.gz FDEMSBSBWVUZJL-SECBINFHSA-N 1 2 286.763 1.110 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1nonc1C ZINC001506029248 975092213 /nfs/dbraw/zinc/09/22/13/975092213.db2.gz FDEMSBSBWVUZJL-SECBINFHSA-N 1 2 286.763 1.110 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cc(C)on1 ZINC001377993859 975198432 /nfs/dbraw/zinc/19/84/32/975198432.db2.gz UPAYMRHJPUTYMK-SECBINFHSA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cc(C)on1 ZINC001377993859 975198434 /nfs/dbraw/zinc/19/84/34/975198434.db2.gz UPAYMRHJPUTYMK-SECBINFHSA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1cnccn1 ZINC001379777186 976067821 /nfs/dbraw/zinc/06/78/21/976067821.db2.gz WZTFNPOCXZANDD-GFCCVEGCSA-N 1 2 296.802 1.598 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCc1cnccn1 ZINC001379777186 976067836 /nfs/dbraw/zinc/06/78/36/976067836.db2.gz WZTFNPOCXZANDD-GFCCVEGCSA-N 1 2 296.802 1.598 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)Cc2nonc2C)C1 ZINC001402123137 976132950 /nfs/dbraw/zinc/13/29/50/976132950.db2.gz DLAANCRVHXFEHL-CYBMUJFWSA-N 1 2 298.774 1.254 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)Cc2nonc2C)C1 ZINC001402123137 976132956 /nfs/dbraw/zinc/13/29/56/976132956.db2.gz DLAANCRVHXFEHL-CYBMUJFWSA-N 1 2 298.774 1.254 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@H](C)C#N)[C@@H](C)c1nnc(C)o1 ZINC001391124451 976704609 /nfs/dbraw/zinc/70/46/09/976704609.db2.gz WMLBMEKWFZNQAX-MNOVXSKESA-N 1 2 293.371 1.427 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@H](C)C#N)[C@@H](C)c1nnc(C)o1 ZINC001391124451 976704615 /nfs/dbraw/zinc/70/46/15/976704615.db2.gz WMLBMEKWFZNQAX-MNOVXSKESA-N 1 2 293.371 1.427 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCc2cncnc2)C1 ZINC001400528245 977078235 /nfs/dbraw/zinc/07/82/35/977078235.db2.gz RFLMGOUQXIXOLC-UHFFFAOYSA-N 1 2 294.786 1.210 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccnn1C)C1CC1 ZINC001404219460 977373955 /nfs/dbraw/zinc/37/39/55/977373955.db2.gz OSOBCRLGGUAXPP-UHFFFAOYSA-N 1 2 282.775 1.367 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccnn1C)C1CC1 ZINC001404219460 977373961 /nfs/dbraw/zinc/37/39/61/977373961.db2.gz OSOBCRLGGUAXPP-UHFFFAOYSA-N 1 2 282.775 1.367 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CC1(COC)CC1 ZINC001392660770 977534484 /nfs/dbraw/zinc/53/44/84/977534484.db2.gz VEALFPVMZLGIBV-GFCCVEGCSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CC1(COC)CC1 ZINC001392660770 977534488 /nfs/dbraw/zinc/53/44/88/977534488.db2.gz VEALFPVMZLGIBV-GFCCVEGCSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)CN1CC[C@@H]1CN(C)C(=O)CCn1cc[nH+]c1 ZINC001396994680 978568107 /nfs/dbraw/zinc/56/81/07/978568107.db2.gz VPCOOKBTYHBEIR-CYBMUJFWSA-N 1 2 296.802 1.558 20 30 CDEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nnc(C(C)C)o1 ZINC001132565624 1163375070 /nfs/dbraw/zinc/37/50/70/1163375070.db2.gz XIBKRLVXMLNYIH-VXGBXAGGSA-N 1 2 294.399 1.857 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[NH2+]Cc1nc(CCC)no1 ZINC001132667507 1163431299 /nfs/dbraw/zinc/43/12/99/1163431299.db2.gz MSGRGVSMOQLOLT-LBPRGKRZSA-N 1 2 294.399 1.830 20 30 CDEDLO CC1(C)C[N@@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@H]1[NH3+] ZINC001593940688 996952505 /nfs/dbraw/zinc/95/25/05/996952505.db2.gz PGBANRQXCZZIJU-OLZOCXBDSA-N 1 2 273.336 1.353 20 30 CDEDLO CC1(C)C[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@H]1[NH3+] ZINC001593940688 996952516 /nfs/dbraw/zinc/95/25/16/996952516.db2.gz PGBANRQXCZZIJU-OLZOCXBDSA-N 1 2 273.336 1.353 20 30 CDEDLO CN(C)c1[nH+]cc(CN=Nc2ncncc2Cl)n1C ZINC000811649020 1163512376 /nfs/dbraw/zinc/51/23/76/1163512376.db2.gz YCEILBUYTYIPRE-UHFFFAOYSA-N 1 2 279.735 1.376 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+][C@H](C)c1nc(COC)no1 ZINC001133143198 1163582449 /nfs/dbraw/zinc/58/24/49/1163582449.db2.gz RUOZQNASLMURHJ-LLVKDONJSA-N 1 2 296.371 1.339 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(c2c[nH]nc2C)CC1 ZINC000585754945 342454915 /nfs/dbraw/zinc/45/49/15/342454915.db2.gz XGAMBJPFIQVBJR-CYBMUJFWSA-N 1 2 263.341 1.625 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccccc1CC#N ZINC000601041526 342460886 /nfs/dbraw/zinc/46/08/86/342460886.db2.gz JCUGSUBUXHYUDO-ZDUSSCGKSA-N 1 2 287.363 1.203 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccccc1CC#N ZINC000601041526 342460887 /nfs/dbraw/zinc/46/08/87/342460887.db2.gz JCUGSUBUXHYUDO-ZDUSSCGKSA-N 1 2 287.363 1.203 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000586772257 342468304 /nfs/dbraw/zinc/46/83/04/342468304.db2.gz RIRFEGDHEHZLHG-AWEZNQCLSA-N 1 2 259.309 1.611 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccnc(C#N)c1)C1CC1 ZINC000587201779 342474674 /nfs/dbraw/zinc/47/46/74/342474674.db2.gz VPURNCAXJQWAKH-CYBMUJFWSA-N 1 2 281.319 1.568 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc(O)cc(C#N)c1 ZINC000589179797 342499738 /nfs/dbraw/zinc/49/97/38/342499738.db2.gz VHUDUDHGDPZMND-UHFFFAOYSA-N 1 2 256.265 1.259 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccc(F)c(F)c1 ZINC000589826923 342514849 /nfs/dbraw/zinc/51/48/49/342514849.db2.gz FJJYEDVFSPZGJL-CQSZACIVSA-N 1 2 281.306 1.467 20 30 CDEDLO CN(C)c1cc[nH+]c(NC(=O)c2cnccc2C#N)c1 ZINC000589845824 342515437 /nfs/dbraw/zinc/51/54/37/342515437.db2.gz RORDUBWRYXIWKQ-UHFFFAOYSA-N 1 2 267.292 1.667 20 30 CDEDLO Cc1noc([C@H](C)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000590004544 342518906 /nfs/dbraw/zinc/51/89/06/342518906.db2.gz GWERCTGXGKVICL-GWCFXTLKSA-N 1 2 299.334 1.859 20 30 CDEDLO Cc1noc([C@H](C)[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000590004544 342518907 /nfs/dbraw/zinc/51/89/07/342518907.db2.gz GWERCTGXGKVICL-GWCFXTLKSA-N 1 2 299.334 1.859 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000590120602 342522190 /nfs/dbraw/zinc/52/21/90/342522190.db2.gz GINHLMWPYUEFMR-KBPBESRZSA-N 1 2 263.337 1.249 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000590120602 342522191 /nfs/dbraw/zinc/52/21/91/342522191.db2.gz GINHLMWPYUEFMR-KBPBESRZSA-N 1 2 263.337 1.249 20 30 CDEDLO C=CCOCC[N@@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000590162442 342523733 /nfs/dbraw/zinc/52/37/33/342523733.db2.gz BJBRQIQYGJGUSL-GFCCVEGCSA-N 1 2 271.357 1.232 20 30 CDEDLO C=CCOCC[N@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000590162442 342523734 /nfs/dbraw/zinc/52/37/34/342523734.db2.gz BJBRQIQYGJGUSL-GFCCVEGCSA-N 1 2 271.357 1.232 20 30 CDEDLO C=CCN1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000045006160 341998331 /nfs/dbraw/zinc/99/83/31/341998331.db2.gz KHAXQLYCQQSSKV-AWEZNQCLSA-N 1 2 265.401 1.191 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N(C)Cc1[nH+]ccn1C ZINC000124650082 187147230 /nfs/dbraw/zinc/14/72/30/187147230.db2.gz OXJPBCVDLCSWDV-OAHLLOKOSA-N 1 2 298.346 1.638 20 30 CDEDLO N#Cc1ccc(OC[C@@H](O)CN2CCn3c[nH+]cc3C2)cc1 ZINC000590599150 342579678 /nfs/dbraw/zinc/57/96/78/342579678.db2.gz JJXOCUAFJNYETC-HNNXBMFYSA-N 1 2 298.346 1.010 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)nc1 ZINC000120715434 342058929 /nfs/dbraw/zinc/05/89/29/342058929.db2.gz GIVUYSMKZTVLLY-CQSZACIVSA-N 1 2 294.314 1.642 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](F)C1 ZINC000590755653 342588106 /nfs/dbraw/zinc/58/81/06/342588106.db2.gz FHYQRVHGTMLBPE-DMDPSCGWSA-N 1 2 255.337 1.473 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CC[C@@H](F)C1 ZINC000590755653 342588107 /nfs/dbraw/zinc/58/81/07/342588107.db2.gz FHYQRVHGTMLBPE-DMDPSCGWSA-N 1 2 255.337 1.473 20 30 CDEDLO C=CCOCC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000591161218 342620289 /nfs/dbraw/zinc/62/02/89/342620289.db2.gz ORLNLMFGOLQVQS-UHFFFAOYSA-N 1 2 260.337 1.321 20 30 CDEDLO Cc1cccn2cc(CC(=O)NCC(C)(C)C#N)[nH+]c12 ZINC000611693864 346853125 /nfs/dbraw/zinc/85/31/25/346853125.db2.gz ZNCRUAFOOPFFGY-UHFFFAOYSA-N 1 2 270.336 1.851 20 30 CDEDLO C=C[C@H]([NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)C(=O)OC ZINC000590758015 342643974 /nfs/dbraw/zinc/64/39/74/342643974.db2.gz KPEIOOJZSKYGCY-RWMBFGLXSA-N 1 2 257.374 1.593 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147125 342673933 /nfs/dbraw/zinc/67/39/33/342673933.db2.gz LVFAHMHUXKBRHQ-IUODEOHRSA-N 1 2 273.336 1.364 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147125 342673934 /nfs/dbraw/zinc/67/39/34/342673934.db2.gz LVFAHMHUXKBRHQ-IUODEOHRSA-N 1 2 273.336 1.364 20 30 CDEDLO COC(=O)c1cc(C[N@@H+]2CC[C@](O)(CC#N)C2)oc1C ZINC000592146953 342673949 /nfs/dbraw/zinc/67/39/49/342673949.db2.gz HBFWDLGTTGHSTM-CQSZACIVSA-N 1 2 278.308 1.225 20 30 CDEDLO COC(=O)c1cc(C[N@H+]2CC[C@](O)(CC#N)C2)oc1C ZINC000592146953 342673950 /nfs/dbraw/zinc/67/39/50/342673950.db2.gz HBFWDLGTTGHSTM-CQSZACIVSA-N 1 2 278.308 1.225 20 30 CDEDLO CC(C)(C)c1ncc(C[N@@H+]2CC[C@](O)(CC#N)C2)cn1 ZINC000592523104 342702793 /nfs/dbraw/zinc/70/27/93/342702793.db2.gz VSXINCXSLOIJET-OAHLLOKOSA-N 1 2 274.368 1.625 20 30 CDEDLO CC(C)(C)c1ncc(C[N@H+]2CC[C@](O)(CC#N)C2)cn1 ZINC000592523104 342702796 /nfs/dbraw/zinc/70/27/96/342702796.db2.gz VSXINCXSLOIJET-OAHLLOKOSA-N 1 2 274.368 1.625 20 30 CDEDLO COC(=O)[C@@H]1CN(c2cc(C)[nH+]cc2C#N)C[C@H]1C1CC1 ZINC000593520749 342806353 /nfs/dbraw/zinc/80/63/53/342806353.db2.gz CZKMHIKJEIWEQI-UONOGXRCSA-N 1 2 285.347 1.897 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2scnc2C)CC1 ZINC000141987936 361959076 /nfs/dbraw/zinc/95/90/76/361959076.db2.gz MPSFISFLCRGWGP-UHFFFAOYSA-N 1 2 263.366 1.233 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2scnc2C)CC1 ZINC000141987936 361959078 /nfs/dbraw/zinc/95/90/78/361959078.db2.gz MPSFISFLCRGWGP-UHFFFAOYSA-N 1 2 263.366 1.233 20 30 CDEDLO CC[N@H+](CCCNS(=O)(=O)[C@@H](C)C#N)c1ccccc1 ZINC000352415915 539063561 /nfs/dbraw/zinc/06/35/61/539063561.db2.gz ZMFZEPFPRSAFAH-ZDUSSCGKSA-N 1 2 295.408 1.734 20 30 CDEDLO CC[N@@H+](CCCNS(=O)(=O)[C@@H](C)C#N)c1ccccc1 ZINC000352415915 539063562 /nfs/dbraw/zinc/06/35/62/539063562.db2.gz ZMFZEPFPRSAFAH-ZDUSSCGKSA-N 1 2 295.408 1.734 20 30 CDEDLO CO[C@]1(C)CCCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000329952922 362101901 /nfs/dbraw/zinc/10/19/01/362101901.db2.gz NLSCLCRKPCVTLX-SWLSCSKDSA-N 1 2 292.383 1.613 20 30 CDEDLO Cn1nc(C2CC2)nc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595623317 343111908 /nfs/dbraw/zinc/11/19/08/343111908.db2.gz MJFAHJUBZLTJPU-LLVKDONJSA-N 1 2 259.357 1.818 20 30 CDEDLO Cn1nc(C2CC2)nc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595623317 343111910 /nfs/dbraw/zinc/11/19/10/343111910.db2.gz MJFAHJUBZLTJPU-LLVKDONJSA-N 1 2 259.357 1.818 20 30 CDEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000081515022 342371386 /nfs/dbraw/zinc/37/13/86/342371386.db2.gz ITZSWAYZVNAUOI-LBPRGKRZSA-N 1 2 295.383 1.022 20 30 CDEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000081515022 342371387 /nfs/dbraw/zinc/37/13/87/342371387.db2.gz ITZSWAYZVNAUOI-LBPRGKRZSA-N 1 2 295.383 1.022 20 30 CDEDLO N#Cc1ccc(SCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000090069554 342393581 /nfs/dbraw/zinc/39/35/81/342393581.db2.gz IYRDHPKMWYREDG-UHFFFAOYSA-N 1 2 293.348 1.891 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ncc[nH]3)CC2)cc1 ZINC000596657343 343364720 /nfs/dbraw/zinc/36/47/20/343364720.db2.gz QEDKSFWCQPULTJ-UHFFFAOYSA-N 1 2 295.346 1.239 20 30 CDEDLO CC(C)N(CCC#N)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000597039214 343433754 /nfs/dbraw/zinc/43/37/54/343433754.db2.gz SYTUGSNVVOPTAO-LBPRGKRZSA-N 1 2 260.341 1.596 20 30 CDEDLO Cc1cn2ccc(NC(=O)N3CC(C#N)C3)cc2[nH+]1 ZINC000597128984 343453668 /nfs/dbraw/zinc/45/36/68/343453668.db2.gz LFBZOCLVADEVOI-UHFFFAOYSA-N 1 2 255.281 1.630 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1ccc(C#N)cc1F ZINC000597160710 343463878 /nfs/dbraw/zinc/46/38/78/343463878.db2.gz IWTNBMOFZSOQEH-CHWSQXEVSA-N 1 2 298.321 1.851 20 30 CDEDLO N#Cc1ccc(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000597895046 343660795 /nfs/dbraw/zinc/66/07/95/343660795.db2.gz ZHHMPYDKSDASKJ-HNNXBMFYSA-N 1 2 294.358 1.676 20 30 CDEDLO C=C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)C(=O)OC ZINC000619699587 349856387 /nfs/dbraw/zinc/85/63/87/349856387.db2.gz AZLCKFIWQJBUKK-CYBMUJFWSA-N 1 2 292.335 1.201 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000619721896 349871973 /nfs/dbraw/zinc/87/19/73/349871973.db2.gz YQUCRJFWKLWXMY-BBRMVZONSA-N 1 2 286.331 1.310 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000619721896 349871976 /nfs/dbraw/zinc/87/19/76/349871976.db2.gz YQUCRJFWKLWXMY-BBRMVZONSA-N 1 2 286.331 1.310 20 30 CDEDLO N#C[C@@]1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CC12CCCC2 ZINC000598950103 343933588 /nfs/dbraw/zinc/93/35/88/343933588.db2.gz OVTYIWMIVYZBCY-MLGOLLRUSA-N 1 2 284.363 1.788 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598950922 343934167 /nfs/dbraw/zinc/93/41/67/343934167.db2.gz WQWKMHFYBKANPZ-JTQLQIEISA-N 1 2 270.292 1.401 20 30 CDEDLO CCC[C@H](C#N)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000602089170 344331174 /nfs/dbraw/zinc/33/11/74/344331174.db2.gz RSDYXWOAQWJIQL-LLVKDONJSA-N 1 2 284.319 2.000 20 30 CDEDLO CCC[C@@H](C[N@H+](CCC#N)CCN1CCOCC1)OC ZINC000602425272 344421806 /nfs/dbraw/zinc/42/18/06/344421806.db2.gz OMPTZUFGSNEFAM-HNNXBMFYSA-N 1 2 283.416 1.349 20 30 CDEDLO CCC[C@@H](C[N@@H+](CCC#N)CCN1CCOCC1)OC ZINC000602425272 344421807 /nfs/dbraw/zinc/42/18/07/344421807.db2.gz OMPTZUFGSNEFAM-HNNXBMFYSA-N 1 2 283.416 1.349 20 30 CDEDLO CCC[C@@H](CN(CCC#N)CC[NH+]1CCOCC1)OC ZINC000602425272 344421808 /nfs/dbraw/zinc/42/18/08/344421808.db2.gz OMPTZUFGSNEFAM-HNNXBMFYSA-N 1 2 283.416 1.349 20 30 CDEDLO CO[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccc(F)cc1 ZINC000602331317 344401602 /nfs/dbraw/zinc/40/16/02/344401602.db2.gz BWNBSCHQVMVRCD-HIFRSBDPSA-N 1 2 293.342 1.473 20 30 CDEDLO C=CCOC[C@H]([NH2+]CC1CCSCC1)C(=O)OC ZINC000602644223 344513327 /nfs/dbraw/zinc/51/33/27/344513327.db2.gz LBYFGSRPOUDAKA-LBPRGKRZSA-N 1 2 273.398 1.463 20 30 CDEDLO COc1cc(F)cc(C[NH+]2CCN(CCC#N)CC2)c1 ZINC000602748300 344562121 /nfs/dbraw/zinc/56/21/21/344562121.db2.gz LZYZFFNBYCDCLJ-UHFFFAOYSA-N 1 2 277.343 1.866 20 30 CDEDLO N#CCC1(C[N@H+]2CCNC(=O)[C@@H]2c2ccccc2)CC1 ZINC000602792814 344585202 /nfs/dbraw/zinc/58/52/02/344585202.db2.gz CRZZOPWPHINIAI-AWEZNQCLSA-N 1 2 269.348 1.853 20 30 CDEDLO N#CCC1(C[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2)CC1 ZINC000602792814 344585204 /nfs/dbraw/zinc/58/52/04/344585204.db2.gz CRZZOPWPHINIAI-AWEZNQCLSA-N 1 2 269.348 1.853 20 30 CDEDLO CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@H](C)CC#N ZINC000602859714 344616093 /nfs/dbraw/zinc/61/60/93/344616093.db2.gz AHLRZTPQLPVABO-SECBINFHSA-N 1 2 265.279 1.677 20 30 CDEDLO Cc1ccccc1C[C@@H](C)NC(=O)C[NH2+][C@H](C)CC#N ZINC000602865372 344638539 /nfs/dbraw/zinc/63/85/39/344638539.db2.gz XPROXGCUZRYGDB-ZIAGYGMSSA-N 1 2 273.380 1.934 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(C#N)cc2)nn1 ZINC000603164514 344725398 /nfs/dbraw/zinc/72/53/98/344725398.db2.gz YNQNUQRJFJMAIH-UHFFFAOYSA-N 1 2 265.320 1.311 20 30 CDEDLO Cc1[nH+]c(C(C)C)ccc1Cn1cc(CNCC#N)nn1 ZINC000603231837 344741697 /nfs/dbraw/zinc/74/16/97/344741697.db2.gz CQJMWWWBYYXYIS-UHFFFAOYSA-N 1 2 284.367 1.766 20 30 CDEDLO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164420 347066936 /nfs/dbraw/zinc/06/69/36/347066936.db2.gz BYOQITPECRSEDS-NHYWBVRUSA-N 1 2 294.399 1.625 20 30 CDEDLO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164420 347066940 /nfs/dbraw/zinc/06/69/40/347066940.db2.gz BYOQITPECRSEDS-NHYWBVRUSA-N 1 2 294.399 1.625 20 30 CDEDLO N#Cc1cc(C(=O)NCCCCn2cc[nH+]c2)c[nH]1 ZINC000537606267 282372966 /nfs/dbraw/zinc/37/29/66/282372966.db2.gz PJIPVDZIBLMWBU-UHFFFAOYSA-N 1 2 257.297 1.293 20 30 CDEDLO CC(C)CNC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609486647 344915607 /nfs/dbraw/zinc/91/56/07/344915607.db2.gz OKOVDECMBGWEDA-GJZGRUSLSA-N 1 2 294.443 1.313 20 30 CDEDLO Cc1nnc(-n2c[nH+]c(CCCO)c2)c(C#N)c1C ZINC000609494802 345050677 /nfs/dbraw/zinc/05/06/77/345050677.db2.gz VWFMOCZIOZCHDZ-UHFFFAOYSA-N 1 2 257.297 1.076 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1C(N)=O ZINC000120570024 362570808 /nfs/dbraw/zinc/57/08/08/362570808.db2.gz KXBMCLBXZDXYFL-LBPRGKRZSA-N 1 2 259.309 1.017 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1C(N)=O ZINC000120570024 362570814 /nfs/dbraw/zinc/57/08/14/362570814.db2.gz KXBMCLBXZDXYFL-LBPRGKRZSA-N 1 2 259.309 1.017 20 30 CDEDLO N#CCCCC[N@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000072799280 345370893 /nfs/dbraw/zinc/37/08/93/345370893.db2.gz RSJMRHCYMPTJQL-GFCCVEGCSA-N 1 2 263.366 1.915 20 30 CDEDLO N#CCCCC[N@@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000072799280 345370895 /nfs/dbraw/zinc/37/08/95/345370895.db2.gz RSJMRHCYMPTJQL-GFCCVEGCSA-N 1 2 263.366 1.915 20 30 CDEDLO N#CCC1(CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000619545108 345465674 /nfs/dbraw/zinc/46/56/74/345465674.db2.gz AVESNCTVCVFSCX-UHFFFAOYSA-N 1 2 282.307 1.086 20 30 CDEDLO Cc1cc(NC[C@H](n2cncn2)C(F)(F)F)c(C#N)c[nH+]1 ZINC000601219477 349929125 /nfs/dbraw/zinc/92/91/25/349929125.db2.gz MTKLVOYUVPENJG-NSHDSACASA-N 1 2 296.256 1.491 20 30 CDEDLO C=CC[C@H]1CCCN(C(=O)[C@@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000617780688 345968791 /nfs/dbraw/zinc/96/87/91/345968791.db2.gz ZHVWJZFBCNHJHE-DZGCQCFKSA-N 1 2 290.411 1.838 20 30 CDEDLO C=CC[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)C1 ZINC000617783613 345970912 /nfs/dbraw/zinc/97/09/12/345970912.db2.gz CTGWVFVQNNTCBB-CABCVRRESA-N 1 2 279.428 1.437 20 30 CDEDLO N#Cc1cccc(N2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000610276298 346240778 /nfs/dbraw/zinc/24/07/78/346240778.db2.gz JAQIBSKAKGLKGC-ZDUSSCGKSA-N 1 2 253.309 1.991 20 30 CDEDLO CCc1nnc(-n2c[nH+]c(CCCO)c2)c(C#N)c1CC ZINC000610715693 346371779 /nfs/dbraw/zinc/37/17/79/346371779.db2.gz HDAHVAMUFXUAFW-UHFFFAOYSA-N 1 2 285.351 1.584 20 30 CDEDLO N#Cc1cc(C[NH+]2CCN(c3cccnn3)CC2)ccn1 ZINC000610992367 346568722 /nfs/dbraw/zinc/56/87/22/346568722.db2.gz XXBCAAPHWBVOOK-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO CC[N@H+](CC[C@@H]1CCS(=O)(=O)C1)C[C@@H](C)C#N ZINC000611170517 346628758 /nfs/dbraw/zinc/62/87/58/346628758.db2.gz YNSJBYGXTFDDDH-NWDGAFQWSA-N 1 2 258.387 1.293 20 30 CDEDLO CC[N@@H+](CC[C@@H]1CCS(=O)(=O)C1)C[C@@H](C)C#N ZINC000611170517 346628759 /nfs/dbraw/zinc/62/87/59/346628759.db2.gz YNSJBYGXTFDDDH-NWDGAFQWSA-N 1 2 258.387 1.293 20 30 CDEDLO C[C@@H](C#N)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000612585073 347217122 /nfs/dbraw/zinc/21/71/22/347217122.db2.gz OHFRFCRMUFEUSA-VIFPVBQESA-N 1 2 277.280 1.615 20 30 CDEDLO C=C[C@H](C(=O)OC)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000619719685 348191717 /nfs/dbraw/zinc/19/17/17/348191717.db2.gz UPFWBBXKXGNKBV-UPJWGTAASA-N 1 2 263.341 1.494 20 30 CDEDLO N#C[C@@]1(F)CCN(C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000615540346 348580110 /nfs/dbraw/zinc/58/01/10/348580110.db2.gz SLLGTPIRJRBDRW-AWEZNQCLSA-N 1 2 291.330 1.531 20 30 CDEDLO N#Cc1cccnc1N1CCC(n2cc[nH+]c2)CC1 ZINC000060296281 348884625 /nfs/dbraw/zinc/88/46/25/348884625.db2.gz NUQDMKWXRUYMSB-UHFFFAOYSA-N 1 2 253.309 1.991 20 30 CDEDLO C=CCOCCNC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000620163016 350073966 /nfs/dbraw/zinc/07/39/66/350073966.db2.gz ZXJRBCJECJAMRB-KBPBESRZSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CCOCCNC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000620163016 350073973 /nfs/dbraw/zinc/07/39/73/350073973.db2.gz ZXJRBCJECJAMRB-KBPBESRZSA-N 1 2 284.400 1.195 20 30 CDEDLO CCN1CCC[N@H+](Cc2cccc(C#N)n2)CC1=O ZINC000602632212 350134152 /nfs/dbraw/zinc/13/41/52/350134152.db2.gz WZNPUBBCWHSSDQ-UHFFFAOYSA-N 1 2 258.325 1.007 20 30 CDEDLO CCN1CCC[N@@H+](Cc2cccc(C#N)n2)CC1=O ZINC000602632212 350134154 /nfs/dbraw/zinc/13/41/54/350134154.db2.gz WZNPUBBCWHSSDQ-UHFFFAOYSA-N 1 2 258.325 1.007 20 30 CDEDLO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602668163 350139330 /nfs/dbraw/zinc/13/93/30/350139330.db2.gz BTAPXTVPTLQGSS-LBPRGKRZSA-N 1 2 293.392 1.210 20 30 CDEDLO CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602668163 350139332 /nfs/dbraw/zinc/13/93/32/350139332.db2.gz BTAPXTVPTLQGSS-LBPRGKRZSA-N 1 2 293.392 1.210 20 30 CDEDLO CO[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CCO1 ZINC000602897060 350161288 /nfs/dbraw/zinc/16/12/88/350161288.db2.gz JERKYXLXRSYRFS-HNNXBMFYSA-N 1 2 289.335 1.192 20 30 CDEDLO CO[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CCO1 ZINC000602897060 350161291 /nfs/dbraw/zinc/16/12/91/350161291.db2.gz JERKYXLXRSYRFS-HNNXBMFYSA-N 1 2 289.335 1.192 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)Nc2cc[nH+]cc2)c(F)c1 ZINC000125483778 351452292 /nfs/dbraw/zinc/45/22/92/351452292.db2.gz WOGMMWBNQDFDBZ-UHFFFAOYSA-N 1 2 277.280 1.893 20 30 CDEDLO N#Cc1ccc(CNC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000292283793 198230617 /nfs/dbraw/zinc/23/06/17/198230617.db2.gz HAPGRBCZXOEJEM-UHFFFAOYSA-N 1 2 281.319 1.480 20 30 CDEDLO C[C@H](CNC(=O)c1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000153761493 188101906 /nfs/dbraw/zinc/10/19/06/188101906.db2.gz FBVOMKSPCRAXSH-GFCCVEGCSA-N 1 2 268.320 1.821 20 30 CDEDLO C=CCN(C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000155599517 188216004 /nfs/dbraw/zinc/21/60/04/188216004.db2.gz IPAYCFVDMLOIHT-LBPRGKRZSA-N 1 2 260.341 1.488 20 30 CDEDLO C[C@H](O)C[C@@H]1COCC[N@@H+]1CCOc1ccccc1C#N ZINC000157149406 188300254 /nfs/dbraw/zinc/30/02/54/188300254.db2.gz HJEGGTDIVNFVHB-DZGCQCFKSA-N 1 2 290.363 1.409 20 30 CDEDLO C[C@H](O)C[C@@H]1COCC[N@H+]1CCOc1ccccc1C#N ZINC000157149406 188300256 /nfs/dbraw/zinc/30/02/56/188300256.db2.gz HJEGGTDIVNFVHB-DZGCQCFKSA-N 1 2 290.363 1.409 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000157638048 188329362 /nfs/dbraw/zinc/32/93/62/188329362.db2.gz JSUXFJURRNXILA-SECBINFHSA-N 1 2 270.379 1.239 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000157638048 188329363 /nfs/dbraw/zinc/32/93/63/188329363.db2.gz JSUXFJURRNXILA-SECBINFHSA-N 1 2 270.379 1.239 20 30 CDEDLO C#CCCOc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000157855357 188343003 /nfs/dbraw/zinc/34/30/03/188343003.db2.gz RLWQVSSSSIDXLP-UHFFFAOYSA-N 1 2 286.375 1.753 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000172752334 188824471 /nfs/dbraw/zinc/82/44/71/188824471.db2.gz QYRBRIDUAYXXJB-UHFFFAOYSA-N 1 2 256.349 1.776 20 30 CDEDLO C[C@@H]1CN(c2nccc(C#N)c2Cl)CC[N@@H+]1CCO ZINC000343023568 356427552 /nfs/dbraw/zinc/42/75/52/356427552.db2.gz BOZCHZCMXMGSGE-SNVBAGLBSA-N 1 2 280.759 1.109 20 30 CDEDLO C[C@@H]1CN(c2nccc(C#N)c2Cl)CC[N@H+]1CCO ZINC000343023568 356427557 /nfs/dbraw/zinc/42/75/57/356427557.db2.gz BOZCHZCMXMGSGE-SNVBAGLBSA-N 1 2 280.759 1.109 20 30 CDEDLO C[C@H](CNc1ncc([N+](=O)[O-])cc1C#N)Cn1cc[nH+]c1 ZINC000264509378 357353332 /nfs/dbraw/zinc/35/33/32/357353332.db2.gz XEWYSXILZIWWQB-SNVBAGLBSA-N 1 2 286.295 1.806 20 30 CDEDLO C[C@@H](CNC(=O)c1ccc(F)c(C#N)c1)Cn1cc[nH+]c1 ZINC000286599434 357563427 /nfs/dbraw/zinc/56/34/27/357563427.db2.gz WLUXRQSEJYJELT-NSHDSACASA-N 1 2 286.310 1.960 20 30 CDEDLO C#CCO[C@@H](C)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000294331675 199001053 /nfs/dbraw/zinc/00/10/53/199001053.db2.gz FLSLJBBYOFUOQJ-VIFPVBQESA-N 1 2 279.365 1.108 20 30 CDEDLO C#CCO[C@@H](C)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000294331675 199001054 /nfs/dbraw/zinc/00/10/54/199001054.db2.gz FLSLJBBYOFUOQJ-VIFPVBQESA-N 1 2 279.365 1.108 20 30 CDEDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000335464457 357916196 /nfs/dbraw/zinc/91/61/96/357916196.db2.gz IRFOWGBJXAMDQR-KZULUSFZSA-N 1 2 262.378 1.901 20 30 CDEDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000335464457 357916197 /nfs/dbraw/zinc/91/61/97/357916197.db2.gz IRFOWGBJXAMDQR-KZULUSFZSA-N 1 2 262.378 1.901 20 30 CDEDLO CCC#C[C@@H](C)[NH+]1CCC(CS(C)(=O)=O)CC1 ZINC000644783419 358015622 /nfs/dbraw/zinc/01/56/22/358015622.db2.gz AWISVPQHAGVZJF-GFCCVEGCSA-N 1 2 257.399 1.545 20 30 CDEDLO C[C@@H](C#N)CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000570386143 363595600 /nfs/dbraw/zinc/59/56/00/363595600.db2.gz DYKBYYXLERAVQC-ZDUSSCGKSA-N 1 2 297.362 1.890 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/COc1ccccc1 ZINC000493493491 366412139 /nfs/dbraw/zinc/41/21/39/366412139.db2.gz MRLAPCCIRAWLBN-OJXHRBAXSA-N 1 2 287.363 1.582 20 30 CDEDLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000185107453 358772622 /nfs/dbraw/zinc/77/26/22/358772622.db2.gz ANKVYKZHHXYNDX-GIPWTMENSA-N 1 2 293.392 1.196 20 30 CDEDLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000185107453 358772625 /nfs/dbraw/zinc/77/26/25/358772625.db2.gz ANKVYKZHHXYNDX-GIPWTMENSA-N 1 2 293.392 1.196 20 30 CDEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H](C)[NH+](C)C)cc1C#N ZINC000341118110 366493102 /nfs/dbraw/zinc/49/31/02/366493102.db2.gz GFISYYCAOJNOIQ-MRVPVSSYSA-N 1 2 294.380 1.061 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1CCC(C)(C)C#N ZINC000345704998 358870898 /nfs/dbraw/zinc/87/08/98/358870898.db2.gz DXOVSLVPQYVWCJ-GHMZBOCLSA-N 1 2 254.330 1.189 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1CCC(C)(C)C#N ZINC000345704998 358870899 /nfs/dbraw/zinc/87/08/99/358870899.db2.gz DXOVSLVPQYVWCJ-GHMZBOCLSA-N 1 2 254.330 1.189 20 30 CDEDLO N#CC1CC[NH+](CN2CC3(CCCC3)OC2=O)CC1 ZINC000494451564 366505276 /nfs/dbraw/zinc/50/52/76/366505276.db2.gz IBSPJSTYTMTRLR-UHFFFAOYSA-N 1 2 263.341 1.944 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)N[C@@H](Cc1ccccc1)C(C)=O ZINC000494626107 366508943 /nfs/dbraw/zinc/50/89/43/366508943.db2.gz NUKVOXSAHZGTBD-HNNXBMFYSA-N 1 2 274.364 1.421 20 30 CDEDLO C=CC[N@H+](C)CC(=O)N[C@@H](Cc1ccccc1)C(C)=O ZINC000494626107 366508949 /nfs/dbraw/zinc/50/89/49/366508949.db2.gz NUKVOXSAHZGTBD-HNNXBMFYSA-N 1 2 274.364 1.421 20 30 CDEDLO C=C1CC[NH+]([C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000264746471 359313893 /nfs/dbraw/zinc/31/38/93/359313893.db2.gz VNQLSEXXNHBHHJ-ZDUSSCGKSA-N 1 2 260.341 1.177 20 30 CDEDLO C#CCN(CC)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000268053053 359355929 /nfs/dbraw/zinc/35/59/29/359355929.db2.gz UMAIJYPAVYJKEM-UHFFFAOYSA-N 1 2 259.309 1.119 20 30 CDEDLO CC(C)NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369208536 359369164 /nfs/dbraw/zinc/36/91/64/359369164.db2.gz YUGYQKZZRYDCKA-UHFFFAOYSA-N 1 2 286.379 1.463 20 30 CDEDLO C=CCSCCNC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000269662780 359374358 /nfs/dbraw/zinc/37/43/58/359374358.db2.gz GIBSRGWBJWJWHC-LLVKDONJSA-N 1 2 274.455 1.459 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000265959933 359337634 /nfs/dbraw/zinc/33/76/34/359337634.db2.gz PZIDNBJWSNEGSX-UHFFFAOYSA-N 1 2 296.292 1.885 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(C)Cc1ccc(CC)cc1 ZINC000277083468 359554630 /nfs/dbraw/zinc/55/46/30/359554630.db2.gz YHZVJGSJXIIHQX-UHFFFAOYSA-N 1 2 258.365 1.772 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N(C)Cc1ccc(CC)cc1 ZINC000277083468 359554633 /nfs/dbraw/zinc/55/46/33/359554633.db2.gz YHZVJGSJXIIHQX-UHFFFAOYSA-N 1 2 258.365 1.772 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000279570524 359589563 /nfs/dbraw/zinc/58/95/63/359589563.db2.gz YROSKAYVSLIJTC-CQSZACIVSA-N 1 2 259.309 1.278 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)NCC#Cc1ccccc1 ZINC000348215684 359889356 /nfs/dbraw/zinc/88/93/56/359889356.db2.gz FYKYKJBSNCRUQA-UHFFFAOYSA-N 1 2 268.320 1.271 20 30 CDEDLO C=C(Cl)C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000297935823 200306065 /nfs/dbraw/zinc/30/60/65/200306065.db2.gz AAQJQVPQGZWAJT-CYBMUJFWSA-N 1 2 253.729 1.999 20 30 CDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)NC1CC1 ZINC000298244371 200369954 /nfs/dbraw/zinc/36/99/54/200369954.db2.gz SNYHSLZNQCJFBB-LBPRGKRZSA-N 1 2 274.339 1.928 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)NC1CC1 ZINC000298244371 200369955 /nfs/dbraw/zinc/36/99/55/200369955.db2.gz SNYHSLZNQCJFBB-LBPRGKRZSA-N 1 2 274.339 1.928 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCCO[C@H](C)C1 ZINC000177042578 189023118 /nfs/dbraw/zinc/02/31/18/189023118.db2.gz IBLWAUAXDHLBDP-DOMZBBRYSA-N 1 2 288.347 1.883 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCCO[C@H](C)C1 ZINC000177042578 189023119 /nfs/dbraw/zinc/02/31/19/189023119.db2.gz IBLWAUAXDHLBDP-DOMZBBRYSA-N 1 2 288.347 1.883 20 30 CDEDLO Cn1c[nH+]cc1CN1CCN(c2cccc(F)c2C#N)CC1 ZINC000177253743 189039352 /nfs/dbraw/zinc/03/93/52/189039352.db2.gz YSJJFAZEHSUZRS-UHFFFAOYSA-N 1 2 299.353 1.753 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000337648765 360313237 /nfs/dbraw/zinc/31/32/37/360313237.db2.gz JZVXCNGUWVROOW-HIFRSBDPSA-N 1 2 289.379 1.536 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000157625710 360930089 /nfs/dbraw/zinc/93/00/89/360930089.db2.gz SGAOWRDIMXCBFF-MNOVXSKESA-N 1 2 268.361 1.091 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000157625710 360930094 /nfs/dbraw/zinc/93/00/94/360930094.db2.gz SGAOWRDIMXCBFF-MNOVXSKESA-N 1 2 268.361 1.091 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000051315825 360960234 /nfs/dbraw/zinc/96/02/34/360960234.db2.gz XNTPDHPRRZRGCG-UHFFFAOYSA-N 1 2 268.320 1.341 20 30 CDEDLO C[C@@]1(C(N)=O)CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000572528730 361095315 /nfs/dbraw/zinc/09/53/15/361095315.db2.gz BPPYPPGJUMROGD-ZDUSSCGKSA-N 1 2 263.366 1.850 20 30 CDEDLO C[C@@]1(C(N)=O)CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000572528730 361095319 /nfs/dbraw/zinc/09/53/19/361095319.db2.gz BPPYPPGJUMROGD-ZDUSSCGKSA-N 1 2 263.366 1.850 20 30 CDEDLO C[C@@H]1C[C@]1(C#N)C(=O)NCCCNc1cccc[nH+]1 ZINC000449853125 361183573 /nfs/dbraw/zinc/18/35/73/361183573.db2.gz AUXUHEMGHZILHI-BXUZGUMPSA-N 1 2 258.325 1.550 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)CC(C)(C)C#N ZINC000433310660 361233249 /nfs/dbraw/zinc/23/32/49/361233249.db2.gz JAYZYEOLNGBJGB-NSHDSACASA-N 1 2 250.346 1.229 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)CC(C)(C)C#N ZINC000433310660 361233253 /nfs/dbraw/zinc/23/32/53/361233253.db2.gz JAYZYEOLNGBJGB-NSHDSACASA-N 1 2 250.346 1.229 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433928012 361279409 /nfs/dbraw/zinc/27/94/09/361279409.db2.gz WFTUDVPGRJANBQ-CQSZACIVSA-N 1 2 295.427 1.895 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1cccs1 ZINC000562322715 361280128 /nfs/dbraw/zinc/28/01/28/361280128.db2.gz HMKDUANIRAYDEI-GFCCVEGCSA-N 1 2 251.355 1.251 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccccc1F ZINC000435537923 361410903 /nfs/dbraw/zinc/41/09/03/361410903.db2.gz RRLYDINBCQUCPD-NSHDSACASA-N 1 2 252.289 1.411 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccccc1F ZINC000435537923 361410907 /nfs/dbraw/zinc/41/09/07/361410907.db2.gz RRLYDINBCQUCPD-NSHDSACASA-N 1 2 252.289 1.411 20 30 CDEDLO N#Cc1ccccc1OCC[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000168537005 361427869 /nfs/dbraw/zinc/42/78/69/361427869.db2.gz ZSRUWPPAKRASJD-AWEZNQCLSA-N 1 2 285.347 1.244 20 30 CDEDLO N#Cc1ccccc1OCC[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000168537005 361427874 /nfs/dbraw/zinc/42/78/74/361427874.db2.gz ZSRUWPPAKRASJD-AWEZNQCLSA-N 1 2 285.347 1.244 20 30 CDEDLO N#Cc1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)nn1 ZINC000301986746 201289110 /nfs/dbraw/zinc/28/91/10/201289110.db2.gz ZKGADFMBUSFPME-GFCCVEGCSA-N 1 2 266.308 1.434 20 30 CDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000329679926 361705178 /nfs/dbraw/zinc/70/51/78/361705178.db2.gz XPDXEJHGISHBEI-MRVPVSSYSA-N 1 2 279.344 1.197 20 30 CDEDLO CN(C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1)C1CC1 ZINC000101554248 363935809 /nfs/dbraw/zinc/93/58/09/363935809.db2.gz YLJSHZYYCVSJOE-UHFFFAOYSA-N 1 2 298.390 1.301 20 30 CDEDLO C=CCNC(=O)C[NH2+]C1(c2noc(C)n2)CCCCCC1 ZINC000101546233 363930446 /nfs/dbraw/zinc/93/04/46/363930446.db2.gz ZYGTZNLWPQJQRJ-UHFFFAOYSA-N 1 2 292.383 1.819 20 30 CDEDLO C[C@@H](NC(=O)C1(C#N)CC(C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000532618198 363966191 /nfs/dbraw/zinc/96/61/91/363966191.db2.gz QWNLYNIBJBIRFQ-DNCHLWJUSA-N 1 2 279.384 1.152 20 30 CDEDLO CC1(C)C[C@]1(C#N)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000570901836 364099654 /nfs/dbraw/zinc/09/96/54/364099654.db2.gz UBWNLAPHTQZKPH-YMTOWFKASA-N 1 2 258.325 1.638 20 30 CDEDLO CC1(C)C[C@]1(C#N)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000570901836 364099659 /nfs/dbraw/zinc/09/96/59/364099659.db2.gz UBWNLAPHTQZKPH-YMTOWFKASA-N 1 2 258.325 1.638 20 30 CDEDLO C#CCN1CCN(C(=O)C[N@@H+](C)[C@H](C)c2ccco2)CC1 ZINC000490779858 364321417 /nfs/dbraw/zinc/32/14/17/364321417.db2.gz BDJNXJYCKMFYQS-CQSZACIVSA-N 1 2 289.379 1.050 20 30 CDEDLO C#CCN1CCN(C(=O)C[N@H+](C)[C@H](C)c2ccco2)CC1 ZINC000490779858 364321421 /nfs/dbraw/zinc/32/14/21/364321421.db2.gz BDJNXJYCKMFYQS-CQSZACIVSA-N 1 2 289.379 1.050 20 30 CDEDLO CC#CC[C@@H](CO)NC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000645529869 364742726 /nfs/dbraw/zinc/74/27/26/364742726.db2.gz LKOALBDRVGBDFI-NEPJUHHUSA-N 1 2 278.356 1.038 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2oc(CCC)nc2C)nn1 ZINC000641154592 365121428 /nfs/dbraw/zinc/12/14/28/365121428.db2.gz KOARARNAYHZXIU-UHFFFAOYSA-N 1 2 287.367 1.688 20 30 CDEDLO C[C@@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000195443542 365404545 /nfs/dbraw/zinc/40/45/45/365404545.db2.gz PRURGRRKRFRCPA-VIFPVBQESA-N 1 2 285.263 1.422 20 30 CDEDLO C#CC[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000375394813 370820529 /nfs/dbraw/zinc/82/05/29/370820529.db2.gz VQXRSMQCIHACPU-RYUDHWBXSA-N 1 2 270.348 1.899 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000375394813 370820532 /nfs/dbraw/zinc/82/05/32/370820532.db2.gz VQXRSMQCIHACPU-RYUDHWBXSA-N 1 2 270.348 1.899 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528520333 367875791 /nfs/dbraw/zinc/87/57/91/367875791.db2.gz WTXYBHUZERVJKO-ZDUSSCGKSA-N 1 2 298.342 1.007 20 30 CDEDLO C[C@H]1COCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528520333 367875797 /nfs/dbraw/zinc/87/57/97/367875797.db2.gz WTXYBHUZERVJKO-ZDUSSCGKSA-N 1 2 298.342 1.007 20 30 CDEDLO CC(C)(C#N)CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000358620139 367821606 /nfs/dbraw/zinc/82/16/06/367821606.db2.gz WVHIQSNSPYWHGJ-CYBMUJFWSA-N 1 2 288.351 1.794 20 30 CDEDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000530335531 368169939 /nfs/dbraw/zinc/16/99/39/368169939.db2.gz FDZFADYRXHYCOB-LBPRGKRZSA-N 1 2 289.383 1.193 20 30 CDEDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000530335531 368169941 /nfs/dbraw/zinc/16/99/41/368169941.db2.gz FDZFADYRXHYCOB-LBPRGKRZSA-N 1 2 289.383 1.193 20 30 CDEDLO C[C@H](C#N)CNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000543805806 368981527 /nfs/dbraw/zinc/98/15/27/368981527.db2.gz PRSGSZMWYAUHAK-CYBMUJFWSA-N 1 2 287.367 1.068 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)Nc2sccc2C#N)CCCO1 ZINC000170769665 368989037 /nfs/dbraw/zinc/98/90/37/368989037.db2.gz VMQCZLHMQOPQGR-JTQLQIEISA-N 1 2 279.365 1.669 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)CCCO1 ZINC000170769665 368989041 /nfs/dbraw/zinc/98/90/41/368989041.db2.gz VMQCZLHMQOPQGR-JTQLQIEISA-N 1 2 279.365 1.669 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2c(C)noc2C)nn1 ZINC000630598579 369360591 /nfs/dbraw/zinc/36/05/91/369360591.db2.gz YLFNETGJVUUGDR-UHFFFAOYSA-N 1 2 259.313 1.044 20 30 CDEDLO CCSCC[N@H+](CCC#N)CCN1CCOCC1 ZINC000081158497 369934726 /nfs/dbraw/zinc/93/47/26/369934726.db2.gz YURGJJQMRLVYDQ-UHFFFAOYSA-N 1 2 271.430 1.287 20 30 CDEDLO CCSCC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000081158497 369934730 /nfs/dbraw/zinc/93/47/30/369934730.db2.gz YURGJJQMRLVYDQ-UHFFFAOYSA-N 1 2 271.430 1.287 20 30 CDEDLO COc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000565429333 370444671 /nfs/dbraw/zinc/44/46/71/370444671.db2.gz XHMIQDHQOCJEQT-CQSZACIVSA-N 1 2 261.325 1.269 20 30 CDEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+]Cc1ccn[nH]1 ZINC000568751122 371231223 /nfs/dbraw/zinc/23/12/23/371231223.db2.gz YUVZEHZWZNABRZ-OAHLLOKOSA-N 1 2 287.363 1.668 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnc(C(C)(C)C)nc1 ZINC000569130571 371238052 /nfs/dbraw/zinc/23/80/52/371238052.db2.gz UEVQTMIPBSVYTJ-HNNXBMFYSA-N 1 2 289.383 1.348 20 30 CDEDLO CCc1cccc(NC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000573713564 371634775 /nfs/dbraw/zinc/63/47/75/371634775.db2.gz YFWSQWRGPQLAMS-OAHLLOKOSA-N 1 2 261.369 1.867 20 30 CDEDLO CCc1cccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000573713564 371634777 /nfs/dbraw/zinc/63/47/77/371634777.db2.gz YFWSQWRGPQLAMS-OAHLLOKOSA-N 1 2 261.369 1.867 20 30 CDEDLO CCN(CC)c1ccc(CNC(=O)NC[C@H](C)C#N)c[nH+]1 ZINC000182491227 372602647 /nfs/dbraw/zinc/60/26/47/372602647.db2.gz OMNVUBRJUSUJBS-GFCCVEGCSA-N 1 2 289.383 1.887 20 30 CDEDLO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000103140796 373839255 /nfs/dbraw/zinc/83/92/55/373839255.db2.gz AIDQDVZRZKFQAY-OAHLLOKOSA-N 1 2 275.327 1.798 20 30 CDEDLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000103140796 373839271 /nfs/dbraw/zinc/83/92/71/373839271.db2.gz AIDQDVZRZKFQAY-OAHLLOKOSA-N 1 2 275.327 1.798 20 30 CDEDLO N#Cc1nccnc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000301168135 373869593 /nfs/dbraw/zinc/86/95/93/373869593.db2.gz JEAAYNFMQQSVFG-UHFFFAOYSA-N 1 2 295.346 1.924 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000357522547 373916870 /nfs/dbraw/zinc/91/68/70/373916870.db2.gz AIGKECYNYGNJQK-UHFFFAOYSA-N 1 2 257.253 1.826 20 30 CDEDLO Cn1c[nH+]cc1CNc1ccc(C(F)(F)F)c(C#N)n1 ZINC000357593716 373921612 /nfs/dbraw/zinc/92/16/12/373921612.db2.gz IEVYDIOXYAKXAK-UHFFFAOYSA-N 1 2 281.241 1.740 20 30 CDEDLO N#C[C@H]1CN(c2cc[nH+]c3c(O)cccc23)CCO1 ZINC000619480320 373966816 /nfs/dbraw/zinc/96/68/16/373966816.db2.gz BWVFSCKDGGWBBD-JTQLQIEISA-N 1 2 255.277 1.669 20 30 CDEDLO Cn1cc(C[NH+]2CCN(CC(F)F)CC2)cc1C#N ZINC000361576101 374045568 /nfs/dbraw/zinc/04/55/68/374045568.db2.gz FSWLHUDJVACXPD-UHFFFAOYSA-N 1 2 268.311 1.279 20 30 CDEDLO CN(CC[NH+]1CCOCC1)Cc1ccc(C#N)cc1F ZINC000112406981 374224260 /nfs/dbraw/zinc/22/42/60/374224260.db2.gz GENGJUUTJUMZSJ-UHFFFAOYSA-N 1 2 277.343 1.461 20 30 CDEDLO CN1CCO[C@H]2C[N@H+](Cc3cccc(C#N)c3F)C[C@H]21 ZINC000351994019 374292951 /nfs/dbraw/zinc/29/29/51/374292951.db2.gz JJSUALMMIOJUDR-KGLIPLIRSA-N 1 2 275.327 1.212 20 30 CDEDLO CN1CCO[C@H]2C[N@@H+](Cc3cccc(C#N)c3F)C[C@H]21 ZINC000351994019 374292958 /nfs/dbraw/zinc/29/29/58/374292958.db2.gz JJSUALMMIOJUDR-KGLIPLIRSA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3cccc(C#N)c3F)C[C@H]21 ZINC000351994019 374292963 /nfs/dbraw/zinc/29/29/63/374292963.db2.gz JJSUALMMIOJUDR-KGLIPLIRSA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3cccc(C#N)c3F)C[C@H]21 ZINC000351994019 374292967 /nfs/dbraw/zinc/29/29/67/374292967.db2.gz JJSUALMMIOJUDR-KGLIPLIRSA-N 1 2 275.327 1.212 20 30 CDEDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000369785930 374366203 /nfs/dbraw/zinc/36/62/03/374366203.db2.gz CCINZJOKNTYRJG-XCLFUZPHSA-N 1 2 292.404 1.780 20 30 CDEDLO C[C@@H]1CC[S@](=O)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000369785930 374366207 /nfs/dbraw/zinc/36/62/07/374366207.db2.gz CCINZJOKNTYRJG-XCLFUZPHSA-N 1 2 292.404 1.780 20 30 CDEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(NC(N)=O)CC1 ZINC000079465843 374406881 /nfs/dbraw/zinc/40/68/81/374406881.db2.gz QYCSSMLREWNRPA-UHFFFAOYSA-N 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/nfs/dbraw/zinc/79/32/19/374793219.db2.gz SPZFCZXZKDMHIX-XCLFUZPHSA-N 1 2 292.404 1.637 20 30 CDEDLO C=CCNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000042925013 374883014 /nfs/dbraw/zinc/88/30/14/374883014.db2.gz DQMNKCTUFKXDCE-UHFFFAOYSA-N 1 2 260.341 1.095 20 30 CDEDLO CC[N@H+](Cc1ccc(F)cc1C#N)[C@@H]1CCNC1=O ZINC000331292037 374923219 /nfs/dbraw/zinc/92/32/19/374923219.db2.gz KTCMCRFZKVUVCF-CYBMUJFWSA-N 1 2 261.300 1.408 20 30 CDEDLO CC[N@@H+](Cc1ccc(F)cc1C#N)[C@@H]1CCNC1=O ZINC000331292037 374923225 /nfs/dbraw/zinc/92/32/25/374923225.db2.gz KTCMCRFZKVUVCF-CYBMUJFWSA-N 1 2 261.300 1.408 20 30 CDEDLO C[C@H]1CCN(C(=O)C(C)(C)C#N)C[C@@H]1n1cc[nH+]c1 ZINC000125349823 374925032 /nfs/dbraw/zinc/92/50/32/374925032.db2.gz QMGBBMSWSKAQRM-RYUDHWBXSA-N 1 2 260.341 1.842 20 30 CDEDLO C[C@H]1CO[C@H](CO)C[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000126365354 375123868 /nfs/dbraw/zinc/12/38/68/375123868.db2.gz DXIMHMFQGJSAJP-WFASDCNBSA-N 1 2 276.336 1.019 20 30 CDEDLO C[C@H]1CO[C@H](CO)C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000126365354 375123878 /nfs/dbraw/zinc/12/38/78/375123878.db2.gz DXIMHMFQGJSAJP-WFASDCNBSA-N 1 2 276.336 1.019 20 30 CDEDLO C#CCNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000048020028 375267858 /nfs/dbraw/zinc/26/78/58/375267858.db2.gz DOMVTFRQFCFGHS-UHFFFAOYSA-N 1 2 286.379 1.894 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOCC12CCC2 ZINC000135504414 375710237 /nfs/dbraw/zinc/71/02/37/375710237.db2.gz NKGMTZMTIUHLFW-CYBMUJFWSA-N 1 2 279.384 1.249 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOCC12CCC2 ZINC000135504414 375710243 /nfs/dbraw/zinc/71/02/43/375710243.db2.gz NKGMTZMTIUHLFW-CYBMUJFWSA-N 1 2 279.384 1.249 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000295197798 375835901 /nfs/dbraw/zinc/83/59/01/375835901.db2.gz YFYZWISXHNWXCD-CYBMUJFWSA-N 1 2 291.326 1.970 20 30 CDEDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000295197798 375835910 /nfs/dbraw/zinc/83/59/10/375835910.db2.gz YFYZWISXHNWXCD-CYBMUJFWSA-N 1 2 291.326 1.970 20 30 CDEDLO C[C@]1(NC(=O)NC[C@H]2CCCn3cc[nH+]c32)CCOC1 ZINC000328808637 375960219 /nfs/dbraw/zinc/96/02/19/375960219.db2.gz IPCCTRRQMQXJQY-RISCZKNCSA-N 1 2 278.356 1.443 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cn2c(n1)CCCC2 ZINC000328701718 375931876 /nfs/dbraw/zinc/93/18/76/375931876.db2.gz JILICYAEQPEHOE-LBPRGKRZSA-N 1 2 292.383 1.245 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cn2c(n1)CCCC2 ZINC000328701718 375931881 /nfs/dbraw/zinc/93/18/81/375931881.db2.gz JILICYAEQPEHOE-LBPRGKRZSA-N 1 2 292.383 1.245 20 30 CDEDLO C[C@@H]1CC(=O)N[C@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000328880696 375999748 /nfs/dbraw/zinc/99/97/48/375999748.db2.gz VZHHZCSKWMDMRI-AXFHLTTASA-N 1 2 269.345 1.029 20 30 CDEDLO C[C@@H]1CC(=O)N[C@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000328880696 375999757 /nfs/dbraw/zinc/99/97/57/375999757.db2.gz VZHHZCSKWMDMRI-AXFHLTTASA-N 1 2 269.345 1.029 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1ccoc1C ZINC000065603645 376176219 /nfs/dbraw/zinc/17/62/19/376176219.db2.gz 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/nfs/dbraw/zinc/12/63/41/377126341.db2.gz FHYDIXJGHIXQIL-ZIAGYGMSSA-N 1 2 268.401 1.910 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000247478858 377126348 /nfs/dbraw/zinc/12/63/48/377126348.db2.gz FHYDIXJGHIXQIL-ZIAGYGMSSA-N 1 2 268.401 1.910 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N(CC)Cc1cccc(F)c1 ZINC000076185574 377465816 /nfs/dbraw/zinc/46/58/16/377465816.db2.gz AYNXQNLVOGPXDT-UHFFFAOYSA-N 1 2 286.350 1.743 20 30 CDEDLO C[C@H]1CC[N@H+](CC(=O)NCC#N)[C@H](c2ccco2)C1 ZINC000076184666 377469124 /nfs/dbraw/zinc/46/91/24/377469124.db2.gz YKAICJXHNYDZHR-RYUDHWBXSA-N 1 2 261.325 1.692 20 30 CDEDLO C[C@H]1CC[N@@H+](CC(=O)NCC#N)[C@H](c2ccco2)C1 ZINC000076184666 377469131 /nfs/dbraw/zinc/46/91/31/377469131.db2.gz YKAICJXHNYDZHR-RYUDHWBXSA-N 1 2 261.325 1.692 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000249882971 377481780 /nfs/dbraw/zinc/48/17/80/377481780.db2.gz NYJGWPLTUGCJHQ-FRRDWIJNSA-N 1 2 267.373 1.152 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000249882971 377481789 /nfs/dbraw/zinc/48/17/89/377481789.db2.gz NYJGWPLTUGCJHQ-FRRDWIJNSA-N 1 2 267.373 1.152 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000192226345 378177969 /nfs/dbraw/zinc/17/79/69/378177969.db2.gz UOWOGQGWOJADIN-UHFFFAOYSA-N 1 2 273.292 1.049 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000192226345 378177972 /nfs/dbraw/zinc/17/79/72/378177972.db2.gz UOWOGQGWOJADIN-UHFFFAOYSA-N 1 2 273.292 1.049 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCc1ccc(COC)cc1 ZINC000192235928 378178605 /nfs/dbraw/zinc/17/86/05/378178605.db2.gz AGBZDNCRZICGRN-UHFFFAOYSA-N 1 2 260.337 1.014 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCc1ccc(COC)cc1 ZINC000192235928 378178611 /nfs/dbraw/zinc/17/86/11/378178611.db2.gz AGBZDNCRZICGRN-UHFFFAOYSA-N 1 2 260.337 1.014 20 30 CDEDLO CCOCCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000069627364 378437329 /nfs/dbraw/zinc/43/73/29/378437329.db2.gz BEOAGBKBWQECSF-UHFFFAOYSA-N 1 2 273.380 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/nfs/dbraw/zinc/90/99/97/194909997.db2.gz ADZMEMKSLCVVST-SWLSCSKDSA-N 1 2 277.368 1.450 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C\c1ccc(C#N)cc1 ZINC000491318727 253075126 /nfs/dbraw/zinc/07/51/26/253075126.db2.gz GLBXJWOFBOXARJ-FWWRYZNZSA-N 1 2 280.331 1.973 20 30 CDEDLO Cc1nccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)n1 ZINC000507087594 254097044 /nfs/dbraw/zinc/09/70/44/254097044.db2.gz QOVPSFJCZMZPFS-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO C#C[C@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)C(C)(C)C ZINC000288449393 197081010 /nfs/dbraw/zinc/08/10/10/197081010.db2.gz FOTRTSCKDPEJMZ-RYUDHWBXSA-N 1 2 262.357 1.619 20 30 CDEDLO C#C[C@H](NC(=O)C(=O)Nc1ccc(C)[nH+]c1C)C(C)(C)C ZINC000288389210 197065905 /nfs/dbraw/zinc/06/59/05/197065905.db2.gz LKSXQMVOGFXLCV-ZDUSSCGKSA-N 1 2 287.363 1.801 20 30 CDEDLO C#C[C@@H](NC(=O)NCc1ccc(N(C)C)[nH+]c1)C(C)(C)C ZINC000288412833 197071906 /nfs/dbraw/zinc/07/19/06/197071906.db2.gz CDMKGWBQINPBIW-CYBMUJFWSA-N 1 2 288.395 1.995 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(C)nc(C)n2)C1=O ZINC000660465561 413013952 /nfs/dbraw/zinc/01/39/52/413013952.db2.gz ZXHDLVLZCCCCBL-CQSZACIVSA-N 1 2 274.368 1.312 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(C)nc(C)n2)C1=O ZINC000660465561 413013956 /nfs/dbraw/zinc/01/39/56/413013956.db2.gz ZXHDLVLZCCCCBL-CQSZACIVSA-N 1 2 274.368 1.312 20 30 CDEDLO C=CCN1CC[C@H]([NH2+][C@@H](C)c2nnc3ccccn32)C1=O ZINC000281294448 195186007 /nfs/dbraw/zinc/18/60/07/195186007.db2.gz JKENWNAFBLBLFG-RYUDHWBXSA-N 1 2 285.351 1.167 20 30 CDEDLO C#C[C@@H](NC(=O)NCCCNc1cccc[nH+]1)C(C)C ZINC000281468158 195251843 /nfs/dbraw/zinc/25/18/43/195251843.db2.gz TZDMPSLMOHDGEK-CYBMUJFWSA-N 1 2 274.368 1.841 20 30 CDEDLO C=CC1CC[NH+](CC(=O)Nc2nccs2)CC1 ZINC000111257071 262258520 /nfs/dbraw/zinc/25/85/20/262258520.db2.gz IPNLMUJBMHBDOP-UHFFFAOYSA-N 1 2 251.355 1.980 20 30 CDEDLO C[C@@H](O[NH+]=C(N)Cc1ccc(Cl)cc1)C(=O)NC1CC1 ZINC000106067297 390530753 /nfs/dbraw/zinc/53/07/53/390530753.db2.gz LAGJDAHCXOXQDH-SECBINFHSA-N 1 2 295.770 1.838 20 30 CDEDLO C[C@H]1SCC[N@H+](CC(=O)NCC#N)[C@H]1c1ccccc1 ZINC000118422551 390629873 /nfs/dbraw/zinc/62/98/73/390629873.db2.gz JDAWOLKMGYVJOD-IUODEOHRSA-N 1 2 289.404 1.805 20 30 CDEDLO C[C@H]1SCC[N@@H+](CC(=O)NCC#N)[C@H]1c1ccccc1 ZINC000118422551 390629876 /nfs/dbraw/zinc/62/98/76/390629876.db2.gz JDAWOLKMGYVJOD-IUODEOHRSA-N 1 2 289.404 1.805 20 30 CDEDLO C[C@H](O[NH+]=C(N)CCO)C(=O)N1c2ccccc2C[C@@H]1C ZINC000136070197 390940971 /nfs/dbraw/zinc/94/09/71/390940971.db2.gz ZRKAGDADBNAXLC-QWRGUYRKSA-N 1 2 291.351 1.024 20 30 CDEDLO C[C@H](c1ccc(F)cc1)N(C)C(=O)CO[NH+]=C(N)CCO ZINC000121404639 390885058 /nfs/dbraw/zinc/88/50/58/390885058.db2.gz XAGBPPYRQDKXQY-SNVBAGLBSA-N 1 2 297.330 1.016 20 30 CDEDLO NC(CCO)=[NH+]OCC(=O)Nc1ccc(F)cc1Cl ZINC000121404939 390885208 /nfs/dbraw/zinc/88/52/08/390885208.db2.gz WNOQOJJQCSQBDE-UHFFFAOYSA-N 1 2 289.694 1.089 20 30 CDEDLO Cc1cc(N2CC[C@@H](CS(C)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000425267032 390901546 /nfs/dbraw/zinc/90/15/46/390901546.db2.gz KLFBVKVNAOBESG-LLVKDONJSA-N 1 2 279.365 1.133 20 30 CDEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCC3CC3)cn2)n1 ZINC000124130504 390913415 /nfs/dbraw/zinc/91/34/15/390913415.db2.gz UVMPGNQWWMVZMX-UHFFFAOYSA-N 1 2 285.351 1.931 20 30 CDEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000293050794 391022724 /nfs/dbraw/zinc/02/27/24/391022724.db2.gz HUGVSVXGSCOJST-NSHDSACASA-N 1 2 273.336 1.068 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000293050794 391022728 /nfs/dbraw/zinc/02/27/28/391022728.db2.gz HUGVSVXGSCOJST-NSHDSACASA-N 1 2 273.336 1.068 20 30 CDEDLO Cc1noc([C@@H]2CCCN2C(=O)NCc2c[nH+]cn2C)n1 ZINC000329596021 391023490 /nfs/dbraw/zinc/02/34/90/391023490.db2.gz IMJBVXJIHXDHQB-NSHDSACASA-N 1 2 290.327 1.363 20 30 CDEDLO C#CC[N@H+](Cc1nnc2n1CCOC2)C1CCCC1 ZINC000373894366 391135966 /nfs/dbraw/zinc/13/59/66/391135966.db2.gz WFJSAZVAFCYKDA-UHFFFAOYSA-N 1 2 260.341 1.186 20 30 CDEDLO C#CC[N@@H+](Cc1nnc2n1CCOC2)C1CCCC1 ZINC000373894366 391135971 /nfs/dbraw/zinc/13/59/71/391135971.db2.gz WFJSAZVAFCYKDA-UHFFFAOYSA-N 1 2 260.341 1.186 20 30 CDEDLO CCc1ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000304234238 391161582 /nfs/dbraw/zinc/16/15/82/391161582.db2.gz PADPPLXPTMZTDN-CQSZACIVSA-N 1 2 262.353 1.834 20 30 CDEDLO CCc1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000304234238 391161583 /nfs/dbraw/zinc/16/15/83/391161583.db2.gz PADPPLXPTMZTDN-CQSZACIVSA-N 1 2 262.353 1.834 20 30 CDEDLO CC(C)N1CC[C@@H](O[NH+]=C(N)c2cccc(Cl)c2)C1=O ZINC000177546194 391171530 /nfs/dbraw/zinc/17/15/30/391171530.db2.gz KYHPQAAGHBERIA-GFCCVEGCSA-N 1 2 295.770 1.986 20 30 CDEDLO CNC(=O)C(C)(C)C/[NH+]=C/c1cccc(O)c1O ZINC000269476965 391250074 /nfs/dbraw/zinc/25/00/74/391250074.db2.gz VRNHDPNXWNBPKM-VIZOYTHASA-N 1 2 250.298 1.289 20 30 CDEDLO C=CCOCC[N@H+]1CCOC[C@H]1c1cccn1C ZINC000339091472 391252849 /nfs/dbraw/zinc/25/28/49/391252849.db2.gz ATQRQGCKZAMDLX-AWEZNQCLSA-N 1 2 250.342 1.601 20 30 CDEDLO C=CCOCC[N@@H+]1CCOC[C@H]1c1cccn1C ZINC000339091472 391252854 /nfs/dbraw/zinc/25/28/54/391252854.db2.gz ATQRQGCKZAMDLX-AWEZNQCLSA-N 1 2 250.342 1.601 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000267653312 391201622 /nfs/dbraw/zinc/20/16/22/391201622.db2.gz LMRHOAXGAONUMT-HNNXBMFYSA-N 1 2 292.310 1.676 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000267653312 391201625 /nfs/dbraw/zinc/20/16/25/391201625.db2.gz LMRHOAXGAONUMT-HNNXBMFYSA-N 1 2 292.310 1.676 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000448862193 391279873 /nfs/dbraw/zinc/27/98/73/391279873.db2.gz WYMXQEIOEOUTFS-UHFFFAOYSA-N 1 2 290.367 1.035 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000448862193 391279885 /nfs/dbraw/zinc/27/98/85/391279885.db2.gz WYMXQEIOEOUTFS-UHFFFAOYSA-N 1 2 290.367 1.035 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000330366066 391405945 /nfs/dbraw/zinc/40/59/45/391405945.db2.gz KYZGQLRNJDNCRC-TZMCWYRMSA-N 1 2 279.384 1.248 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000330366066 391405947 /nfs/dbraw/zinc/40/59/47/391405947.db2.gz KYZGQLRNJDNCRC-TZMCWYRMSA-N 1 2 279.384 1.248 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1cc(C)nn1C(C)(C)C ZINC000339754580 391348497 /nfs/dbraw/zinc/34/84/97/391348497.db2.gz SBRQVZPODVEQFH-UHFFFAOYSA-N 1 2 276.384 1.840 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1cc(C)nn1C(C)(C)C ZINC000339754580 391348500 /nfs/dbraw/zinc/34/85/00/391348500.db2.gz SBRQVZPODVEQFH-UHFFFAOYSA-N 1 2 276.384 1.840 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000339755784 391349533 /nfs/dbraw/zinc/34/95/33/391349533.db2.gz XOCFRQQXEGQEGM-UHFFFAOYSA-N 1 2 255.321 1.130 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000339755784 391349537 /nfs/dbraw/zinc/34/95/37/391349537.db2.gz XOCFRQQXEGQEGM-UHFFFAOYSA-N 1 2 255.321 1.130 20 30 CDEDLO O=C(C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)NCC1CC1 ZINC000328964829 391400145 /nfs/dbraw/zinc/40/01/45/391400145.db2.gz MALGWZWUAUNAPO-MJBXVCDLSA-N 1 2 282.384 1.215 20 30 CDEDLO O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)NCC1CC1 ZINC000328964829 391400147 /nfs/dbraw/zinc/40/01/47/391400147.db2.gz MALGWZWUAUNAPO-MJBXVCDLSA-N 1 2 282.384 1.215 20 30 CDEDLO CC[C@H](F)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000440535760 391403464 /nfs/dbraw/zinc/40/34/64/391403464.db2.gz SRTKEQVMHCSDQH-LBPRGKRZSA-N 1 2 262.332 1.823 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCOCC12CCCC2 ZINC000367172498 391419018 /nfs/dbraw/zinc/41/90/18/391419018.db2.gz YGWZMOWHFSJXPR-HNNXBMFYSA-N 1 2 293.411 1.686 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCOCC12CCCC2 ZINC000367172498 391419022 /nfs/dbraw/zinc/41/90/22/391419022.db2.gz YGWZMOWHFSJXPR-HNNXBMFYSA-N 1 2 293.411 1.686 20 30 CDEDLO Cc1nc([C@@H]2C[N@H+](CCCCC#N)CCO2)no1 ZINC000330433298 391423573 /nfs/dbraw/zinc/42/35/73/391423573.db2.gz KUIRCLYIYXXKQB-NSHDSACASA-N 1 2 250.302 1.445 20 30 CDEDLO Cc1nc([C@@H]2C[N@@H+](CCCCC#N)CCO2)no1 ZINC000330433298 391423576 /nfs/dbraw/zinc/42/35/76/391423576.db2.gz KUIRCLYIYXXKQB-NSHDSACASA-N 1 2 250.302 1.445 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](CC)C[C@@H](C)C#N ZINC000355437688 391455436 /nfs/dbraw/zinc/45/54/36/391455436.db2.gz UYFIZQCBUXDBBV-ZDUSSCGKSA-N 1 2 251.374 1.893 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CC)C[C@@H](C)C#N ZINC000355437688 391455442 /nfs/dbraw/zinc/45/54/42/391455442.db2.gz UYFIZQCBUXDBBV-ZDUSSCGKSA-N 1 2 251.374 1.893 20 30 CDEDLO C=C1CC[NH+](CC(=O)NC(=O)NCC(C)C)CC1 ZINC000330712403 391473019 /nfs/dbraw/zinc/47/30/19/391473019.db2.gz VYXWIPQHRWWDOH-UHFFFAOYSA-N 1 2 253.346 1.325 20 30 CDEDLO CC[N@H+](CC(=O)NC1(C#N)CCC1)Cc1occc1C ZINC000412023313 391544365 /nfs/dbraw/zinc/54/43/65/391544365.db2.gz BWJTXUIJABLOBR-UHFFFAOYSA-N 1 2 275.352 1.972 20 30 CDEDLO CC[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1occc1C ZINC000412023313 391544366 /nfs/dbraw/zinc/54/43/66/391544366.db2.gz BWJTXUIJABLOBR-UHFFFAOYSA-N 1 2 275.352 1.972 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@H]1C(=O)NC ZINC000104670300 391554725 /nfs/dbraw/zinc/55/47/25/391554725.db2.gz SFUURRDCROZMPE-ZDUSSCGKSA-N 1 2 281.400 1.012 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC[C@H]1C(=O)NC ZINC000104670300 391554729 /nfs/dbraw/zinc/55/47/29/391554729.db2.gz SFUURRDCROZMPE-ZDUSSCGKSA-N 1 2 281.400 1.012 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)N(C)CCC#N)cc2n1C ZINC000335787496 391577434 /nfs/dbraw/zinc/57/74/34/391577434.db2.gz WFMBZGQQDQOYIH-UHFFFAOYSA-N 1 2 256.309 1.867 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000362221324 391715871 /nfs/dbraw/zinc/71/58/71/391715871.db2.gz MOVLPGPSSLSYQT-ZBFHGGJFSA-N 1 2 298.427 1.394 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@@H](C)C1CCOCC1)C(=O)OC ZINC000361109416 391683038 /nfs/dbraw/zinc/68/30/38/391683038.db2.gz DXYMBGVMJAFHCZ-WCQYABFASA-N 1 2 271.357 1.135 20 30 CDEDLO N#Cc1ccc(Br)c(C[NH+](CCO)CCO)c1 ZINC000191782814 130300891 /nfs/dbraw/zinc/30/08/91/130300891.db2.gz ICOOVKZEILMFCM-UHFFFAOYSA-N 1 2 299.168 1.107 20 30 CDEDLO Cc1cnc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)o1 ZINC000329383896 391791268 /nfs/dbraw/zinc/79/12/68/391791268.db2.gz RIRNJTVSZAOLAM-CMPLNLGQSA-N 1 2 294.355 1.324 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000192220509 130395730 /nfs/dbraw/zinc/39/57/30/130395730.db2.gz NXIQHSWRSQLCPP-UHFFFAOYSA-N 1 2 296.754 1.861 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000192220509 130395733 /nfs/dbraw/zinc/39/57/33/130395733.db2.gz NXIQHSWRSQLCPP-UHFFFAOYSA-N 1 2 296.754 1.861 20 30 CDEDLO N#Cc1ccc(OCC[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)cc1 ZINC000246663886 392018295 /nfs/dbraw/zinc/01/82/95/392018295.db2.gz QCEHMZVSCKNJIZ-HZPDHXFCSA-N 1 2 299.374 1.680 20 30 CDEDLO N#Cc1ccc(OCC[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)cc1 ZINC000246663886 392018303 /nfs/dbraw/zinc/01/83/03/392018303.db2.gz QCEHMZVSCKNJIZ-HZPDHXFCSA-N 1 2 299.374 1.680 20 30 CDEDLO CNC(=O)c1ccc(C[N@H+](C)CC2(C#N)CC2)cc1 ZINC000343140682 392095190 /nfs/dbraw/zinc/09/51/90/392095190.db2.gz OKIGBJQPDZPZKV-UHFFFAOYSA-N 1 2 257.337 1.782 20 30 CDEDLO CNC(=O)c1ccc(C[N@@H+](C)CC2(C#N)CC2)cc1 ZINC000343140682 392095199 /nfs/dbraw/zinc/09/51/99/392095199.db2.gz OKIGBJQPDZPZKV-UHFFFAOYSA-N 1 2 257.337 1.782 20 30 CDEDLO C=CCCS(=O)(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246943112 131099595 /nfs/dbraw/zinc/09/95/95/131099595.db2.gz HSAKMQCVEUGBHQ-CHWSQXEVSA-N 1 2 283.397 1.672 20 30 CDEDLO CC#CC[C@H](CO)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000646408309 392416362 /nfs/dbraw/zinc/41/63/62/392416362.db2.gz JJLIQHJAYFYEGK-CYBMUJFWSA-N 1 2 275.352 1.903 20 30 CDEDLO Cc1cc(NCC(C)(C)C2(O)CCOCC2)c(C#N)c[nH+]1 ZINC000425266373 393010640 /nfs/dbraw/zinc/01/06/40/393010640.db2.gz HLLIICWQWQSHFA-UHFFFAOYSA-N 1 2 289.379 1.663 20 30 CDEDLO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000430204801 393093639 /nfs/dbraw/zinc/09/36/39/393093639.db2.gz ICGTTWXCTMDYGQ-JTQLQIEISA-N 1 2 284.406 1.486 20 30 CDEDLO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000430204801 393093641 /nfs/dbraw/zinc/09/36/41/393093641.db2.gz ICGTTWXCTMDYGQ-JTQLQIEISA-N 1 2 284.406 1.486 20 30 CDEDLO CN1CC[N@H+](Cc2ccc(C#N)cc2)C(C)(C)C1=O ZINC000094865826 393130186 /nfs/dbraw/zinc/13/01/86/393130186.db2.gz NRHPRUFSIDHQGY-UHFFFAOYSA-N 1 2 257.337 1.611 20 30 CDEDLO CN1CC[N@@H+](Cc2ccc(C#N)cc2)C(C)(C)C1=O ZINC000094865826 393130190 /nfs/dbraw/zinc/13/01/90/393130190.db2.gz NRHPRUFSIDHQGY-UHFFFAOYSA-N 1 2 257.337 1.611 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)CNc1cccc(C#N)c1 ZINC000494546591 393233991 /nfs/dbraw/zinc/23/39/91/393233991.db2.gz MGLGEWOVLBYHBD-GFCCVEGCSA-N 1 2 283.335 1.372 20 30 CDEDLO COCC#CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NC1CC1 ZINC000645994342 393457765 /nfs/dbraw/zinc/45/77/65/393457765.db2.gz CXTXWQZVWJQPKE-KRWDZBQOSA-N 1 2 298.386 1.342 20 30 CDEDLO COCC#CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)NC1CC1 ZINC000645994342 393457775 /nfs/dbraw/zinc/45/77/75/393457775.db2.gz CXTXWQZVWJQPKE-KRWDZBQOSA-N 1 2 298.386 1.342 20 30 CDEDLO N#Cc1cc(CN2CCn3cc[nH+]c3C2)ccc1F ZINC000229749639 140203356 /nfs/dbraw/zinc/20/33/56/140203356.db2.gz ANGTUOBUOYHCPS-UHFFFAOYSA-N 1 2 256.284 1.910 20 30 CDEDLO C[C@@]1(O)CCC[N@H+](CC(=O)Nc2sccc2C#N)CC1 ZINC000230377077 140211459 /nfs/dbraw/zinc/21/14/59/140211459.db2.gz VEGNEEWIYOVRPV-CQSZACIVSA-N 1 2 293.392 1.795 20 30 CDEDLO C[C@@]1(O)CCC[N@@H+](CC(=O)Nc2sccc2C#N)CC1 ZINC000230377077 140211461 /nfs/dbraw/zinc/21/14/61/140211461.db2.gz VEGNEEWIYOVRPV-CQSZACIVSA-N 1 2 293.392 1.795 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000335138330 397643661 /nfs/dbraw/zinc/64/36/61/397643661.db2.gz IFWSFTCAIYZXCW-QWHCGFSZSA-N 1 2 287.367 1.922 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](CC)OC[C@H]1C ZINC000649730505 397914101 /nfs/dbraw/zinc/91/41/01/397914101.db2.gz SFISOFRSBYOJGM-KGLIPLIRSA-N 1 2 266.385 1.686 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](CC)OC[C@H]1C ZINC000649730505 397914105 /nfs/dbraw/zinc/91/41/05/397914105.db2.gz SFISOFRSBYOJGM-KGLIPLIRSA-N 1 2 266.385 1.686 20 30 CDEDLO Cn1cc([C@@H]2C[N@H+](Cc3cc(C#N)cs3)CCO2)cn1 ZINC000093658878 147062363 /nfs/dbraw/zinc/06/23/63/147062363.db2.gz MWXVCXLVUQLOKT-AWEZNQCLSA-N 1 2 288.376 1.927 20 30 CDEDLO Cn1cc([C@@H]2C[N@@H+](Cc3cc(C#N)cs3)CCO2)cn1 ZINC000093658878 147062366 /nfs/dbraw/zinc/06/23/66/147062366.db2.gz MWXVCXLVUQLOKT-AWEZNQCLSA-N 1 2 288.376 1.927 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000305769295 149157538 /nfs/dbraw/zinc/15/75/38/149157538.db2.gz JBZZSEXLKKLJKN-LBPRGKRZSA-N 1 2 288.269 1.922 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000305769295 149157541 /nfs/dbraw/zinc/15/75/41/149157541.db2.gz JBZZSEXLKKLJKN-LBPRGKRZSA-N 1 2 288.269 1.922 20 30 CDEDLO N#Cc1cc(F)c(C(=O)NCc2c[nH+]c[nH]2)c(F)c1 ZINC000311711167 149217619 /nfs/dbraw/zinc/21/76/19/149217619.db2.gz NQGLQFXVLQCKTO-UHFFFAOYSA-N 1 2 262.219 1.490 20 30 CDEDLO N#Cc1cc(F)c(C(=O)NCc2c[nH]c[nH+]2)c(F)c1 ZINC000311711167 149217622 /nfs/dbraw/zinc/21/76/22/149217622.db2.gz NQGLQFXVLQCKTO-UHFFFAOYSA-N 1 2 262.219 1.490 20 30 CDEDLO N#Cc1ccc(NC(=O)N2CCn3cc[nH+]c3C2)cc1 ZINC000335144796 150335350 /nfs/dbraw/zinc/33/53/50/150335350.db2.gz VMPVPDYIUIORMS-UHFFFAOYSA-N 1 2 267.292 1.802 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](F)C[C@H]1CO ZINC000372600577 160135966 /nfs/dbraw/zinc/13/59/66/160135966.db2.gz KRAGIYJGLFPDNL-OLZOCXBDSA-N 1 2 264.300 1.472 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@H](F)C[C@H]1CO ZINC000372600577 160135968 /nfs/dbraw/zinc/13/59/68/160135968.db2.gz KRAGIYJGLFPDNL-OLZOCXBDSA-N 1 2 264.300 1.472 20 30 CDEDLO C[C@H](O)c1cn(C2C[NH+](Cc3ccc(C#N)cc3)C2)nn1 ZINC000374803888 160317365 /nfs/dbraw/zinc/31/73/65/160317365.db2.gz XSNGWOYPXGGJPF-NSHDSACASA-N 1 2 283.335 1.260 20 30 CDEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cccc(C#N)c1F ZINC000352859451 287127730 /nfs/dbraw/zinc/12/77/30/287127730.db2.gz RYQMXQRYRLGSLR-QWRGUYRKSA-N 1 2 298.383 1.951 20 30 CDEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000352859451 287127732 /nfs/dbraw/zinc/12/77/32/287127732.db2.gz RYQMXQRYRLGSLR-QWRGUYRKSA-N 1 2 298.383 1.951 20 30 CDEDLO C=C[C@@](C)(O)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000665444989 414190479 /nfs/dbraw/zinc/19/04/79/414190479.db2.gz CWXDGSJYUJTKJK-MRXNPFEDSA-N 1 2 290.363 1.394 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C1(C#N)CCCCC1 ZINC000044385966 175170159 /nfs/dbraw/zinc/17/01/59/175170159.db2.gz KAOPAPJAWPMBHK-CYBMUJFWSA-N 1 2 279.384 1.297 20 30 CDEDLO CC(C)C[N@H+](CC(N)=O)Cc1cc(C#N)ccc1F ZINC000044898856 175274519 /nfs/dbraw/zinc/27/45/19/175274519.db2.gz HBIUPZHHGVPPDV-UHFFFAOYSA-N 1 2 263.316 1.641 20 30 CDEDLO CC(C)C[N@@H+](CC(N)=O)Cc1cc(C#N)ccc1F ZINC000044898856 175274520 /nfs/dbraw/zinc/27/45/20/175274520.db2.gz HBIUPZHHGVPPDV-UHFFFAOYSA-N 1 2 263.316 1.641 20 30 CDEDLO Cc1cc(C[C@H](C)NC(=O)[C@@H](C)N2CC[NH+](C)CC2)n[nH]1 ZINC000330192539 228061561 /nfs/dbraw/zinc/06/15/61/228061561.db2.gz NUTLQCNVWMOIRP-WCQYABFASA-N 1 2 293.415 1.242 20 30 CDEDLO [O-]C(NC[C@@H]1CCCCS1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330198292 228063560 /nfs/dbraw/zinc/06/35/60/228063560.db2.gz TUTQLAMYLSVTKE-RYUDHWBXSA-N 1 2 294.424 1.987 20 30 CDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@@H]1CCCCS1 ZINC000330198292 228063563 /nfs/dbraw/zinc/06/35/63/228063563.db2.gz TUTQLAMYLSVTKE-RYUDHWBXSA-N 1 2 294.424 1.987 20 30 CDEDLO Cc1cc([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)n(C)n1 ZINC000330208686 228066674 /nfs/dbraw/zinc/06/66/74/228066674.db2.gz GXWQCKQRRVZESA-JTQLQIEISA-N 1 2 274.328 1.266 20 30 CDEDLO Cc1cc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)n(C)n1 ZINC000330208686 228066675 /nfs/dbraw/zinc/06/66/75/228066675.db2.gz GXWQCKQRRVZESA-JTQLQIEISA-N 1 2 274.328 1.266 20 30 CDEDLO COCC1=CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330249773 228079947 /nfs/dbraw/zinc/07/99/47/228079947.db2.gz GUFPWXJXMWWRNW-CYBMUJFWSA-N 1 2 290.367 1.390 20 30 CDEDLO O=C(NC[C@H]1CCCS1(=O)=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330249627 228080016 /nfs/dbraw/zinc/08/00/16/228080016.db2.gz ZZETYUOFJHGBPP-VXGBXAGGSA-N 1 2 286.397 1.147 20 30 CDEDLO O=C(NC[C@H]1CCCS1(=O)=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000330249627 228080019 /nfs/dbraw/zinc/08/00/19/228080019.db2.gz ZZETYUOFJHGBPP-VXGBXAGGSA-N 1 2 286.397 1.147 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@H]1CCCC[C@@H]1O ZINC000330284529 228092074 /nfs/dbraw/zinc/09/20/74/228092074.db2.gz XPBNWCHSRUOCDD-WOPDTQHZSA-N 1 2 278.356 1.005 20 30 CDEDLO [O-]C(N[C@H]1CCCC[C@@H]1O)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330284529 228092077 /nfs/dbraw/zinc/09/20/77/228092077.db2.gz XPBNWCHSRUOCDD-WOPDTQHZSA-N 1 2 278.356 1.005 20 30 CDEDLO CN(C(=O)CO[NH+]=C(N)c1cccc(Cl)c1)C1CC1 ZINC000049065770 260203594 /nfs/dbraw/zinc/20/35/94/260203594.db2.gz UPYIILUZXZDMLQ-UHFFFAOYSA-N 1 2 281.743 1.598 20 30 CDEDLO Cc1nsc(N2CCC[N@H+](CC3(C#N)CC3)CC2)n1 ZINC000408111093 260236602 /nfs/dbraw/zinc/23/66/02/260236602.db2.gz ZKJVVPLUPMKOBW-UHFFFAOYSA-N 1 2 277.397 1.662 20 30 CDEDLO Cc1nsc(N2CCC[N@@H+](CC3(C#N)CC3)CC2)n1 ZINC000408111093 260236603 /nfs/dbraw/zinc/23/66/03/260236603.db2.gz ZKJVVPLUPMKOBW-UHFFFAOYSA-N 1 2 277.397 1.662 20 30 CDEDLO CCC[C@H]1C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000248029780 260892057 /nfs/dbraw/zinc/89/20/57/260892057.db2.gz KDSRTUCYOLPEOQ-OLZOCXBDSA-N 1 2 267.373 1.248 20 30 CDEDLO CCC[C@H]1C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000248029780 260892058 /nfs/dbraw/zinc/89/20/58/260892058.db2.gz KDSRTUCYOLPEOQ-OLZOCXBDSA-N 1 2 267.373 1.248 20 30 CDEDLO C=CC[N@@H+](CC(=O)NCCOCC)Cc1cccs1 ZINC000175914768 261255684 /nfs/dbraw/zinc/25/56/84/261255684.db2.gz DRSAPDSZRGJVPY-UHFFFAOYSA-N 1 2 282.409 1.889 20 30 CDEDLO C=CC[N@H+](CC(=O)NCCOCC)Cc1cccs1 ZINC000175914768 261255685 /nfs/dbraw/zinc/25/56/85/261255685.db2.gz DRSAPDSZRGJVPY-UHFFFAOYSA-N 1 2 282.409 1.889 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)C(C)C ZINC000490961283 261265395 /nfs/dbraw/zinc/26/53/95/261265395.db2.gz GHTVJLKAIQXEHW-ZDUSSCGKSA-N 1 2 281.400 1.054 20 30 CDEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)C(C)C ZINC000490961283 261265397 /nfs/dbraw/zinc/26/53/97/261265397.db2.gz GHTVJLKAIQXEHW-ZDUSSCGKSA-N 1 2 281.400 1.054 20 30 CDEDLO N#CC1(CS(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000165951173 261379866 /nfs/dbraw/zinc/37/98/66/261379866.db2.gz ODDOKPWEEPAXKA-LLVKDONJSA-N 1 2 294.380 1.223 20 30 CDEDLO C#C[C@@H]1COCCN1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000491745840 261983986 /nfs/dbraw/zinc/98/39/86/261983986.db2.gz KWAIHRCABRKYMZ-CYBMUJFWSA-N 1 2 273.336 1.873 20 30 CDEDLO C[C@H]1CCC[C@@](C#N)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000189039783 262166581 /nfs/dbraw/zinc/16/65/81/262166581.db2.gz XFTMFPSKNJAOFC-SMDDNHRTSA-N 1 2 260.341 1.931 20 30 CDEDLO C[C@H]1CCC[C@@](C#N)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000189039783 262166583 /nfs/dbraw/zinc/16/65/83/262166583.db2.gz XFTMFPSKNJAOFC-SMDDNHRTSA-N 1 2 260.341 1.931 20 30 CDEDLO CC(C)CN1CC[N@H+](CCCSCC#N)CC1=O ZINC000187104664 262380149 /nfs/dbraw/zinc/38/01/49/262380149.db2.gz SKNSZNCLGYRNRL-UHFFFAOYSA-N 1 2 269.414 1.433 20 30 CDEDLO CC(C)CN1CC[N@@H+](CCCSCC#N)CC1=O ZINC000187104664 262380151 /nfs/dbraw/zinc/38/01/51/262380151.db2.gz SKNSZNCLGYRNRL-UHFFFAOYSA-N 1 2 269.414 1.433 20 30 CDEDLO Cc1ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc1F ZINC000414120881 262812580 /nfs/dbraw/zinc/81/25/80/262812580.db2.gz FEPXAXPDFGYDFZ-GFCCVEGCSA-N 1 2 266.316 1.719 20 30 CDEDLO Cc1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc1F ZINC000414120881 262812581 /nfs/dbraw/zinc/81/25/81/262812581.db2.gz FEPXAXPDFGYDFZ-GFCCVEGCSA-N 1 2 266.316 1.719 20 30 CDEDLO C[C@@H](CCC#N)N1CC[NH+](Cc2ccccn2)CC1 ZINC000276321894 263035929 /nfs/dbraw/zinc/03/59/29/263035929.db2.gz OVBGCCLAVGDQCG-AWEZNQCLSA-N 1 2 258.369 1.891 20 30 CDEDLO CCc1ccccc1CCO[NH+]=C(N)CN1CCOCC1 ZINC000277480222 263041388 /nfs/dbraw/zinc/04/13/88/263041388.db2.gz BPGHNRVOKPFLBV-UHFFFAOYSA-N 1 2 291.395 1.413 20 30 CDEDLO NC(=[NH+]OCc1ccc(F)c(F)c1)[C@@H]1CCCO1 ZINC000283961437 263084922 /nfs/dbraw/zinc/08/49/22/263084922.db2.gz GBILUEYBWGTKNO-NSHDSACASA-N 1 2 256.252 1.933 20 30 CDEDLO NC(=[NH+]OCc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000284003984 263085296 /nfs/dbraw/zinc/08/52/96/263085296.db2.gz HLUOMCZOAAKGSK-NSHDSACASA-N 1 2 265.269 1.563 20 30 CDEDLO CCOc1ccccc1OCCO[NH+]=C(N)[C@H]1CCCO1 ZINC000284104954 263085800 /nfs/dbraw/zinc/08/58/00/263085800.db2.gz LJGBJCAQFBMTEX-CQSZACIVSA-N 1 2 294.351 1.932 20 30 CDEDLO NC(=[NH+]OCc1ccc(-n2cccn2)cc1)[C@@H]1CCCO1 ZINC000284570110 263087351 /nfs/dbraw/zinc/08/73/51/263087351.db2.gz WVHQMDPBBHHAPS-AWEZNQCLSA-N 1 2 286.335 1.840 20 30 CDEDLO N#CC1(NC(=O)C=Cc2c[nH]c[nH+]2)CCSCC1 ZINC000284548281 263087385 /nfs/dbraw/zinc/08/73/85/263087385.db2.gz XPQLPKHEOCFYDL-OWOJBTEDSA-N 1 2 262.338 1.328 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)CC(=O)N1 ZINC000294978292 263170280 /nfs/dbraw/zinc/17/02/80/263170280.db2.gz JORUMANAGNNSAD-CYBMUJFWSA-N 1 2 286.379 1.357 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CC(=O)N1 ZINC000294978292 263170281 /nfs/dbraw/zinc/17/02/81/263170281.db2.gz JORUMANAGNNSAD-CYBMUJFWSA-N 1 2 286.379 1.357 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000341852158 263359598 /nfs/dbraw/zinc/35/95/98/263359598.db2.gz JAAFEQKPNIRAJU-CYBMUJFWSA-N 1 2 288.351 1.318 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCOC[C@@H](C)C1 ZINC000328664301 263835487 /nfs/dbraw/zinc/83/54/87/263835487.db2.gz BSNVYFZMQFQXRT-JTQLQIEISA-N 1 2 280.372 1.593 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCOC[C@@H](C)C1 ZINC000328664301 263835488 /nfs/dbraw/zinc/83/54/88/263835488.db2.gz BSNVYFZMQFQXRT-JTQLQIEISA-N 1 2 280.372 1.593 20 30 CDEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2ccc(C#N)cc2)C1 ZINC000330708719 264020573 /nfs/dbraw/zinc/02/05/73/264020573.db2.gz NJIFOMLUXAUFGI-AWEZNQCLSA-N 1 2 287.367 1.130 20 30 CDEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2ccc(C#N)cc2)C1 ZINC000330708719 264020575 /nfs/dbraw/zinc/02/05/75/264020575.db2.gz NJIFOMLUXAUFGI-AWEZNQCLSA-N 1 2 287.367 1.130 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccoc1Cl ZINC000330954705 264087686 /nfs/dbraw/zinc/08/76/86/264087686.db2.gz MISNOCAYTWIFMG-SECBINFHSA-N 1 2 272.732 1.958 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccoc1Cl ZINC000330954705 264087688 /nfs/dbraw/zinc/08/76/88/264087688.db2.gz MISNOCAYTWIFMG-SECBINFHSA-N 1 2 272.732 1.958 20 30 CDEDLO Cc1nc(C)c(C(=O)NCc2[nH+]ccn2C)nc1C ZINC000330926191 264094465 /nfs/dbraw/zinc/09/44/65/264094465.db2.gz WPNLEINDNMFRBG-UHFFFAOYSA-N 1 2 259.313 1.640 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cn(C(C)(C)C)nn1 ZINC000331106214 264125652 /nfs/dbraw/zinc/12/56/52/264125652.db2.gz QYJPDZKBLKTFPM-NSHDSACASA-N 1 2 295.387 1.058 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cn(C(C)(C)C)nn1 ZINC000331106214 264125654 /nfs/dbraw/zinc/12/56/54/264125654.db2.gz QYJPDZKBLKTFPM-NSHDSACASA-N 1 2 295.387 1.058 20 30 CDEDLO CCc1occc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000331156020 264141377 /nfs/dbraw/zinc/14/13/77/264141377.db2.gz DHYYQPTUFFHNQH-LLVKDONJSA-N 1 2 266.341 1.867 20 30 CDEDLO CCc1occc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000331156020 264141380 /nfs/dbraw/zinc/14/13/80/264141380.db2.gz DHYYQPTUFFHNQH-LLVKDONJSA-N 1 2 266.341 1.867 20 30 CDEDLO Cc1cc(C)c(NC(=O)NCCNC(=O)N(C)C)c(C)[nH+]1 ZINC000331224187 264149503 /nfs/dbraw/zinc/14/95/03/264149503.db2.gz AVTKSZMTHJDIKL-UHFFFAOYSA-N 1 2 293.371 1.808 20 30 CDEDLO COC(=O)[C@@H]1CN(C(=O)Nc2ccc(C)[nH+]c2C)CCO1 ZINC000331325998 264190296 /nfs/dbraw/zinc/19/02/96/264190296.db2.gz FMWKDDXMYSIEHY-LBPRGKRZSA-N 1 2 293.323 1.118 20 30 CDEDLO C=C(CC)CNC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000456815177 264346300 /nfs/dbraw/zinc/34/63/00/264346300.db2.gz XABJSVQCJTWIRS-ZIAGYGMSSA-N 1 2 268.401 1.958 20 30 CDEDLO C=C(CC)CNC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000456815177 264346302 /nfs/dbraw/zinc/34/63/02/264346302.db2.gz XABJSVQCJTWIRS-ZIAGYGMSSA-N 1 2 268.401 1.958 20 30 CDEDLO COc1ccc(C[N@H+](C)CC(=O)NCCC#N)cc1F ZINC000048264791 424160331 /nfs/dbraw/zinc/16/03/31/424160331.db2.gz NEYYINOZVXHIGK-UHFFFAOYSA-N 1 2 279.315 1.296 20 30 CDEDLO COc1ccc(C[N@@H+](C)CC(=O)NCCC#N)cc1F ZINC000048264791 424160340 /nfs/dbraw/zinc/16/03/40/424160340.db2.gz NEYYINOZVXHIGK-UHFFFAOYSA-N 1 2 279.315 1.296 20 30 CDEDLO C=CCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000661569691 424531696 /nfs/dbraw/zinc/53/16/96/424531696.db2.gz RZJCEKBSMGDQGE-STQMWFEESA-N 1 2 267.373 1.067 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000424639224 424560171 /nfs/dbraw/zinc/56/01/71/424560171.db2.gz GLBAENUIXPDOLD-UHFFFAOYSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000424639224 424560175 /nfs/dbraw/zinc/56/01/75/424560175.db2.gz GLBAENUIXPDOLD-UHFFFAOYSA-N 1 2 268.401 1.816 20 30 CDEDLO N#CC1(F)CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000359351268 266568417 /nfs/dbraw/zinc/56/84/17/266568417.db2.gz OUNHOOAUGMPVMJ-UHFFFAOYSA-N 1 2 286.310 1.731 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@@H](C(N)=O)C1 ZINC000250098028 267021776 /nfs/dbraw/zinc/02/17/76/267021776.db2.gz QYQMPNPBQFMFPQ-BXKDBHETSA-N 1 2 263.366 1.706 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@@H](C(N)=O)C1 ZINC000250098028 267021781 /nfs/dbraw/zinc/02/17/81/267021781.db2.gz QYQMPNPBQFMFPQ-BXKDBHETSA-N 1 2 263.366 1.706 20 30 CDEDLO C=CC1CC[NH+](Cc2nnnn2CC2CCOCC2)CC1 ZINC000377051845 268042977 /nfs/dbraw/zinc/04/29/77/268042977.db2.gz LKUMRJMWYCXIMW-UHFFFAOYSA-N 1 2 291.399 1.498 20 30 CDEDLO N#Cc1cccc(CNC(=O)NCCn2cc[nH+]c2)c1 ZINC000043311121 270226824 /nfs/dbraw/zinc/22/68/24/270226824.db2.gz GNVNPEDYTNNOBI-UHFFFAOYSA-N 1 2 269.308 1.254 20 30 CDEDLO O=C1NC[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)CCN12 ZINC000156565666 280291552 /nfs/dbraw/zinc/29/15/52/280291552.db2.gz BFCOHTBCWMACIU-CQSZACIVSA-N 1 2 289.766 1.401 20 30 CDEDLO O=C1NC[C@@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)CCN12 ZINC000156565666 280291558 /nfs/dbraw/zinc/29/15/58/280291558.db2.gz BFCOHTBCWMACIU-CQSZACIVSA-N 1 2 289.766 1.401 20 30 CDEDLO CC(C)C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC000157683170 289292538 /nfs/dbraw/zinc/29/25/38/289292538.db2.gz QICCSKBIGDDICW-UHFFFAOYSA-N 1 2 277.343 1.901 20 30 CDEDLO CC(C)C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000157683170 289292542 /nfs/dbraw/zinc/29/25/42/289292542.db2.gz QICCSKBIGDDICW-UHFFFAOYSA-N 1 2 277.343 1.901 20 30 CDEDLO N#Cc1c2c(cnc1NCCCCn1cc[nH+]c1)CCC2 ZINC000572357811 294605539 /nfs/dbraw/zinc/60/55/39/294605539.db2.gz HODGGXVERSKSMY-UHFFFAOYSA-N 1 2 281.363 1.953 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC2(C1)CCOCC2 ZINC000330220716 295383998 /nfs/dbraw/zinc/38/39/98/295383998.db2.gz QNIKZVMBCBPYGE-LLVKDONJSA-N 1 2 290.367 1.293 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CC2(C1)CCOCC2 ZINC000330220716 295383999 /nfs/dbraw/zinc/38/39/99/295383999.db2.gz QNIKZVMBCBPYGE-LLVKDONJSA-N 1 2 290.367 1.293 20 30 CDEDLO CCn1ccnc1[C@H](C)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000566243109 316526056 /nfs/dbraw/zinc/52/60/56/316526056.db2.gz OWSSLMATSRUORO-NSHDSACASA-N 1 2 295.350 1.668 20 30 CDEDLO COc1ccc(CC(N)=[NH+]OCc2cncn2C)cc1 ZINC000267828353 328180543 /nfs/dbraw/zinc/18/05/43/328180543.db2.gz ZSZRCLRTYRCOBU-UHFFFAOYSA-N 1 2 274.324 1.460 20 30 CDEDLO COC(=O)[C@H]([NH2+]Cc1ccc(OCC#N)cc1)C1CC1 ZINC000272953287 328202117 /nfs/dbraw/zinc/20/21/17/328202117.db2.gz OVTUKTFLDBEOPF-CQSZACIVSA-N 1 2 274.320 1.630 20 30 CDEDLO CO[C@H](C)c1nc(CO[NH+]=C(N)[C@H]2CCCO2)cs1 ZINC000284430224 328245751 /nfs/dbraw/zinc/24/57/51/328245751.db2.gz OPZWQXIZDXKIAO-PSASIEDQSA-N 1 2 285.369 1.818 20 30 CDEDLO NC(=[NH+]OCc1nncn1-c1ccccc1)[C@H]1CCCO1 ZINC000284451247 328245877 /nfs/dbraw/zinc/24/58/77/328245877.db2.gz QAHUIIDHLFZWCW-GFCCVEGCSA-N 1 2 287.323 1.235 20 30 CDEDLO CCc1nocc1C[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000583631409 325211780 /nfs/dbraw/zinc/21/17/80/325211780.db2.gz WDYGWRFWQOWIDG-UHFFFAOYSA-N 1 2 296.334 1.783 20 30 CDEDLO CCc1nocc1C[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000583631409 325211783 /nfs/dbraw/zinc/21/17/83/325211783.db2.gz WDYGWRFWQOWIDG-UHFFFAOYSA-N 1 2 296.334 1.783 20 30 CDEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N(CC#N)CC#N ZINC000346718103 328572953 /nfs/dbraw/zinc/57/29/53/328572953.db2.gz HVPZCYYDOJFGPX-OLZOCXBDSA-N 1 2 283.335 1.030 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000564628757 327049108 /nfs/dbraw/zinc/04/91/08/327049108.db2.gz LKAFMLBPTKJUCZ-UHFFFAOYSA-N 1 2 257.337 1.473 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000564628757 327049111 /nfs/dbraw/zinc/04/91/11/327049111.db2.gz LKAFMLBPTKJUCZ-UHFFFAOYSA-N 1 2 257.337 1.473 20 30 CDEDLO CC(C)OCCC[N@H+](CCC#N)CCN1CCOCC1 ZINC000176266262 329176024 /nfs/dbraw/zinc/17/60/24/329176024.db2.gz RYTVZFUIASNLBU-UHFFFAOYSA-N 1 2 283.416 1.349 20 30 CDEDLO CC(C)OCCC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000176266262 329176025 /nfs/dbraw/zinc/17/60/25/329176025.db2.gz RYTVZFUIASNLBU-UHFFFAOYSA-N 1 2 283.416 1.349 20 30 CDEDLO CC(C)OCCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000176266262 329176026 /nfs/dbraw/zinc/17/60/26/329176026.db2.gz RYTVZFUIASNLBU-UHFFFAOYSA-N 1 2 283.416 1.349 20 30 CDEDLO COC(=O)CN(CC#N)Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000177617108 329188185 /nfs/dbraw/zinc/18/81/85/329188185.db2.gz DNMNNDONMOIHTE-UHFFFAOYSA-N 1 2 292.726 1.486 20 30 CDEDLO Cc1nc(C)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)s1 ZINC000564090367 329668210 /nfs/dbraw/zinc/66/82/10/329668210.db2.gz OPEYEKRAUAPZEA-GFCCVEGCSA-N 1 2 266.370 1.334 20 30 CDEDLO C=CCCS(=O)(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420695551 329781708 /nfs/dbraw/zinc/78/17/08/329781708.db2.gz FMPIATQCJJFWKW-UHFFFAOYSA-N 1 2 254.355 1.694 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1csc(C2CC2)n1 ZINC000572367955 330011701 /nfs/dbraw/zinc/01/17/01/330011701.db2.gz ONEWNDQTOZQNNY-ZDUSSCGKSA-N 1 2 278.381 1.594 20 30 CDEDLO C#CCOc1ccc(C[N@H+](CC)CC(=O)OC)cc1 ZINC000271164282 330077945 /nfs/dbraw/zinc/07/79/45/330077945.db2.gz RQYSHFBAXSZKQE-UHFFFAOYSA-N 1 2 261.321 1.694 20 30 CDEDLO C#CCOc1ccc(C[N@@H+](CC)CC(=O)OC)cc1 ZINC000271164282 330077947 /nfs/dbraw/zinc/07/79/47/330077947.db2.gz RQYSHFBAXSZKQE-UHFFFAOYSA-N 1 2 261.321 1.694 20 30 CDEDLO CCC[N@H+](CC1(C#N)CCC1)[C@@H]1CC(=O)N(C)C1=O ZINC000450947282 331008439 /nfs/dbraw/zinc/00/84/39/331008439.db2.gz YURXINJWEDLBRH-LLVKDONJSA-N 1 2 263.341 1.150 20 30 CDEDLO CCC[N@@H+](CC1(C#N)CCC1)[C@@H]1CC(=O)N(C)C1=O ZINC000450947282 331008440 /nfs/dbraw/zinc/00/84/40/331008440.db2.gz YURXINJWEDLBRH-LLVKDONJSA-N 1 2 263.341 1.150 20 30 CDEDLO C=CCC[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C(=O)OCC ZINC000456606984 331196548 /nfs/dbraw/zinc/19/65/48/331196548.db2.gz LYINLDYJVLCONY-GFCCVEGCSA-N 1 2 279.340 1.356 20 30 CDEDLO C=CCC[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C(=O)OCC ZINC000456606984 331196549 /nfs/dbraw/zinc/19/65/49/331196549.db2.gz LYINLDYJVLCONY-GFCCVEGCSA-N 1 2 279.340 1.356 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)NCCCNc1cccc[nH+]1 ZINC000457776958 331234086 /nfs/dbraw/zinc/23/40/86/331234086.db2.gz MZIPHKDAQQNQEB-ZDUSSCGKSA-N 1 2 292.383 1.510 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000458772008 331259547 /nfs/dbraw/zinc/25/95/47/331259547.db2.gz OYCKYAYBVFINFV-CHWSQXEVSA-N 1 2 292.383 1.498 20 30 CDEDLO C=CCC(C)(C)CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000458812831 331261071 /nfs/dbraw/zinc/26/10/71/331261071.db2.gz RIRNONPJPSLDJL-CQSZACIVSA-N 1 2 297.443 1.951 20 30 CDEDLO C=C(C)CCNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000458995509 331265379 /nfs/dbraw/zinc/26/53/79/331265379.db2.gz HAXIORSZMUSWGU-ZDUSSCGKSA-N 1 2 269.389 1.315 20 30 CDEDLO C#CC[N@@H+](CC(=O)N(C)OC)[C@H]1CCc2ccccc21 ZINC000490914434 332128618 /nfs/dbraw/zinc/12/86/18/332128618.db2.gz IMBOZDDOVNORFL-HNNXBMFYSA-N 1 2 272.348 1.629 20 30 CDEDLO C#CC[N@H+](CC(=O)N(C)OC)[C@H]1CCc2ccccc21 ZINC000490914434 332128619 /nfs/dbraw/zinc/12/86/19/332128619.db2.gz IMBOZDDOVNORFL-HNNXBMFYSA-N 1 2 272.348 1.629 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CCOc1cccc(S(C)(=O)=O)c1 ZINC000491284828 332180847 /nfs/dbraw/zinc/18/08/47/332180847.db2.gz ABAIFRQDRFFWFZ-GFCCVEGCSA-N 1 2 281.377 1.422 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CCOc1cccc(S(C)(=O)=O)c1 ZINC000491284828 332180849 /nfs/dbraw/zinc/18/08/49/332180849.db2.gz ABAIFRQDRFFWFZ-GFCCVEGCSA-N 1 2 281.377 1.422 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CC[C@H](C(=O)OC)c1ccccc1 ZINC000491385450 332202090 /nfs/dbraw/zinc/20/20/90/332202090.db2.gz RONTWIVKEKEJQM-HOTGVXAUSA-N 1 2 287.359 1.667 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CC[C@H](C(=O)OC)c1ccccc1 ZINC000491385450 332202091 /nfs/dbraw/zinc/20/20/91/332202091.db2.gz RONTWIVKEKEJQM-HOTGVXAUSA-N 1 2 287.359 1.667 20 30 CDEDLO C#C[C@H](C)N(C)c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000491503341 332224007 /nfs/dbraw/zinc/22/40/07/332224007.db2.gz BWEZNTPGLLGGBE-QWHCGFSZSA-N 1 2 274.368 1.286 20 30 CDEDLO C#C[C@H](C)N(C)c1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000491503341 332224008 /nfs/dbraw/zinc/22/40/08/332224008.db2.gz BWEZNTPGLLGGBE-QWHCGFSZSA-N 1 2 274.368 1.286 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)CC[C@@H](CC(C)C)C1=O ZINC000491523263 332228859 /nfs/dbraw/zinc/22/88/59/332228859.db2.gz CQBMVZKOCUCXGP-OLZOCXBDSA-N 1 2 264.369 1.709 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)CC[C@@H](CC(C)C)C1=O ZINC000491523263 332228861 /nfs/dbraw/zinc/22/88/61/332228861.db2.gz CQBMVZKOCUCXGP-OLZOCXBDSA-N 1 2 264.369 1.709 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000491553773 332236324 /nfs/dbraw/zinc/23/63/24/332236324.db2.gz CLWNLYMFUFNFRV-JTQLQIEISA-N 1 2 261.281 1.487 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000491553773 332236325 /nfs/dbraw/zinc/23/63/25/332236325.db2.gz CLWNLYMFUFNFRV-JTQLQIEISA-N 1 2 261.281 1.487 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N1CCCc2ccccc21 ZINC000491556530 332238155 /nfs/dbraw/zinc/23/81/55/332238155.db2.gz YEIIQPPRDANFEX-CYBMUJFWSA-N 1 2 256.349 1.919 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N1CCCc2ccccc21 ZINC000491556530 332238156 /nfs/dbraw/zinc/23/81/56/332238156.db2.gz YEIIQPPRDANFEX-CYBMUJFWSA-N 1 2 256.349 1.919 20 30 CDEDLO C#CCNC(=O)C1CC[NH+]([C@@H](C)c2nc(CC)no2)CC1 ZINC000491623519 332248026 /nfs/dbraw/zinc/24/80/26/332248026.db2.gz IPAVOGQTJYRNIL-NSHDSACASA-N 1 2 290.367 1.154 20 30 CDEDLO C#C[C@H](CC)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000491651287 332264883 /nfs/dbraw/zinc/26/48/83/332264883.db2.gz FYMCXKNGWFAXGT-LLVKDONJSA-N 1 2 298.346 1.348 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCCOCCC(C)C)C1CC1 ZINC000491664341 332273270 /nfs/dbraw/zinc/27/32/70/332273270.db2.gz SYGNYNSXHZPZGV-UHFFFAOYSA-N 1 2 266.385 1.263 20 30 CDEDLO C#CC[N@H+](CC(=O)NCCOCCC(C)C)C1CC1 ZINC000491664341 332273272 /nfs/dbraw/zinc/27/32/72/332273272.db2.gz SYGNYNSXHZPZGV-UHFFFAOYSA-N 1 2 266.385 1.263 20 30 CDEDLO C#CCN(C(=O)[C@H](C)[NH+]1CCOCC1)C1CCCC1 ZINC000491668815 332276395 /nfs/dbraw/zinc/27/63/95/332276395.db2.gz KFSQOAFTTAQQEB-ZDUSSCGKSA-N 1 2 264.369 1.112 20 30 CDEDLO C#CCNC(=O)[C@@H](C)O[NH+]=C(N)Cc1cccc(F)c1 ZINC000491734563 332315249 /nfs/dbraw/zinc/31/52/49/332315249.db2.gz LIGISCWDUYWZTM-SNVBAGLBSA-N 1 2 277.299 1.005 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)Nc1cccc(OC)c1 ZINC000491751315 332327571 /nfs/dbraw/zinc/32/75/71/332327571.db2.gz WSUWBGVCYDRYJS-AWEZNQCLSA-N 1 2 288.347 1.358 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)Nc1cccc(OC)c1 ZINC000491751315 332327572 /nfs/dbraw/zinc/32/75/72/332327572.db2.gz WSUWBGVCYDRYJS-AWEZNQCLSA-N 1 2 288.347 1.358 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H]2CC[C@H](C)O2)n1 ZINC000491759657 332331136 /nfs/dbraw/zinc/33/11/36/332331136.db2.gz NUCQOLCOBHNZDP-HOCLYGCPSA-N 1 2 291.395 1.532 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H]2CC[C@H](C)O2)n1 ZINC000491759657 332331137 /nfs/dbraw/zinc/33/11/37/332331137.db2.gz NUCQOLCOBHNZDP-HOCLYGCPSA-N 1 2 291.395 1.532 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000491773521 332339420 /nfs/dbraw/zinc/33/94/20/332339420.db2.gz VWRYEJDDAUFUOQ-CVEARBPZSA-N 1 2 282.387 1.863 20 30 CDEDLO C#CC[C@@H](CC(F)(F)F)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493231147 332431766 /nfs/dbraw/zinc/43/17/66/332431766.db2.gz WAPMBMBFFVDFSB-MOVJSRMASA-N 1 2 271.242 1.883 20 30 CDEDLO C#CC[NH2+][C@H](C(N)=O)c1ccc(Br)cc1F ZINC000173816591 332982275 /nfs/dbraw/zinc/98/22/75/332982275.db2.gz XLHIGYAKGPKVLD-JTQLQIEISA-N 1 2 285.116 1.337 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cc(C(=O)OC)oc1CC ZINC000177360728 333057898 /nfs/dbraw/zinc/05/78/98/333057898.db2.gz FYMUMABTMFIVKT-UHFFFAOYSA-N 1 2 259.305 1.697 20 30 CDEDLO CC(C)c1cccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)n1 ZINC000521254842 333116533 /nfs/dbraw/zinc/11/65/33/333116533.db2.gz QPLYYGLYSYMGIG-HNNXBMFYSA-N 1 2 274.368 1.779 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000521642501 333180877 /nfs/dbraw/zinc/18/08/77/333180877.db2.gz ZTGBXYRWIPGBBT-LLVKDONJSA-N 1 2 256.309 1.476 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)CC#N ZINC000194710393 333275998 /nfs/dbraw/zinc/27/59/98/333275998.db2.gz VEXDTYFGRSJIEG-JTQLQIEISA-N 1 2 256.309 1.763 20 30 CDEDLO N#CCC1CC[NH+](Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000541021944 333759391 /nfs/dbraw/zinc/75/93/91/333759391.db2.gz UUEFGZGPWKNJSF-UHFFFAOYSA-N 1 2 271.324 1.148 20 30 CDEDLO CO[C@H](C)c1noc(C[NH+]2CCC(CC#N)CC2)n1 ZINC000541951854 333804051 /nfs/dbraw/zinc/80/40/51/333804051.db2.gz MHXBCJXBRYVDML-SNVBAGLBSA-N 1 2 264.329 1.903 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000547398105 334085631 /nfs/dbraw/zinc/08/56/31/334085631.db2.gz HPTYFZXWIWINIX-AWEZNQCLSA-N 1 2 277.368 1.701 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000547398105 334085632 /nfs/dbraw/zinc/08/56/32/334085632.db2.gz HPTYFZXWIWINIX-AWEZNQCLSA-N 1 2 277.368 1.701 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000251883013 334371460 /nfs/dbraw/zinc/37/14/60/334371460.db2.gz PUIJTCXDKHFQRX-ILXRZTDVSA-N 1 2 298.427 1.535 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000251883013 334371461 /nfs/dbraw/zinc/37/14/61/334371461.db2.gz PUIJTCXDKHFQRX-ILXRZTDVSA-N 1 2 298.427 1.535 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1CN(C(=O)CCC=C)CC[N@H+]1C ZINC000580574788 335288072 /nfs/dbraw/zinc/28/80/72/335288072.db2.gz KICBPSZDRQVOAE-CQSZACIVSA-N 1 2 293.411 1.178 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1CN(C(=O)CCC=C)CC[N@@H+]1C ZINC000580574788 335288073 /nfs/dbraw/zinc/28/80/73/335288073.db2.gz KICBPSZDRQVOAE-CQSZACIVSA-N 1 2 293.411 1.178 20 30 CDEDLO CCO[C@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)C(C)C ZINC000579013923 335700593 /nfs/dbraw/zinc/70/05/93/335700593.db2.gz KRFULKGZZACRHB-TZMCWYRMSA-N 1 2 269.389 1.398 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1coc2ccccc12 ZINC000581073751 336004338 /nfs/dbraw/zinc/00/43/38/336004338.db2.gz IXUBIFLWGVVCNP-INIZCTEOSA-N 1 2 285.347 1.935 20 30 CDEDLO C[C@@H](C(=O)N1CCC(CCC#N)CC1)[NH+]1CCOCC1 ZINC000581199153 336023677 /nfs/dbraw/zinc/02/36/77/336023677.db2.gz FTYCOZWZYQGQBD-ZDUSSCGKSA-N 1 2 279.384 1.249 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1Cc2ccccc2S1 ZINC000581433118 336076664 /nfs/dbraw/zinc/07/66/64/336076664.db2.gz XETCIKLOLGTKIV-UKRRQHHQSA-N 1 2 289.404 1.663 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](CC)c1c(C)noc1C ZINC001754497128 1159247264 /nfs/dbraw/zinc/24/72/64/1159247264.db2.gz JJORPFPWZZVHEE-ZIAGYGMSSA-N 1 2 289.379 1.609 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](CC)c1c(C)noc1C ZINC001754497128 1159247268 /nfs/dbraw/zinc/24/72/68/1159247268.db2.gz JJORPFPWZZVHEE-ZIAGYGMSSA-N 1 2 289.379 1.609 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2nc3c(s2)CCC3)C1=O ZINC000684967275 483042914 /nfs/dbraw/zinc/04/29/14/483042914.db2.gz UKZLYANFFYQIHU-LBPRGKRZSA-N 1 2 291.420 1.851 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2nc3c(s2)CCC3)C1=O ZINC000684967275 483042919 /nfs/dbraw/zinc/04/29/19/483042919.db2.gz UKZLYANFFYQIHU-LBPRGKRZSA-N 1 2 291.420 1.851 20 30 CDEDLO C=CC[C@H](CC)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000684988467 483057874 /nfs/dbraw/zinc/05/78/74/483057874.db2.gz XETUWWWLHPNSNN-NSHDSACASA-N 1 2 271.324 1.747 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@H]1OC ZINC001212022250 1160614246 /nfs/dbraw/zinc/61/42/46/1160614246.db2.gz IRVLZCYYGIHIGZ-ZIAGYGMSSA-N 1 2 293.367 1.265 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@H]1OC ZINC001212022250 1160614252 /nfs/dbraw/zinc/61/42/52/1160614252.db2.gz IRVLZCYYGIHIGZ-ZIAGYGMSSA-N 1 2 293.367 1.265 20 30 CDEDLO CCc1nc(C#N)cc(N[C@@H]2CCC[N@@H+](C3COC3)C2)n1 ZINC001168370191 1160832975 /nfs/dbraw/zinc/83/29/75/1160832975.db2.gz XPRUFYHXPYPUOR-LLVKDONJSA-N 1 2 287.367 1.186 20 30 CDEDLO CCc1nc(C#N)cc(N[C@@H]2CCC[N@H+](C3COC3)C2)n1 ZINC001168370191 1160832983 /nfs/dbraw/zinc/83/29/83/1160832983.db2.gz XPRUFYHXPYPUOR-LLVKDONJSA-N 1 2 287.367 1.186 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)F)C1 ZINC001107687099 1161322795 /nfs/dbraw/zinc/32/27/95/1161322795.db2.gz HMFDAOHQZWKDDI-ZDUSSCGKSA-N 1 2 258.337 1.128 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)F)C1 ZINC001107687099 1161322801 /nfs/dbraw/zinc/32/28/01/1161322801.db2.gz HMFDAOHQZWKDDI-ZDUSSCGKSA-N 1 2 258.337 1.128 20 30 CDEDLO CC#CCCCC(=O)NC[C@@H](C)[NH2+]Cc1ncc(C)o1 ZINC001752894904 1161498320 /nfs/dbraw/zinc/49/83/20/1161498320.db2.gz XMDXTNHJTHMLMM-GFCCVEGCSA-N 1 2 277.368 1.771 20 30 CDEDLO C[C@@H]1C[C@H](CNC(=O)N2CCn3cc[nH+]c3C2)CCO1 ZINC000329122087 533830155 /nfs/dbraw/zinc/83/01/55/533830155.db2.gz QXPHRRFJBXAPKQ-VXGBXAGGSA-N 1 2 278.356 1.428 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)COCCC)C1 ZINC001754666787 1185696945 /nfs/dbraw/zinc/69/69/45/1185696945.db2.gz GCTKQAORXBZDNN-ZDUSSCGKSA-N 1 2 274.792 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)COCCC)C1 ZINC001754666787 1185696946 /nfs/dbraw/zinc/69/69/46/1185696946.db2.gz GCTKQAORXBZDNN-ZDUSSCGKSA-N 1 2 274.792 1.746 20 30 CDEDLO C=CC[N@@H+](CC(=O)NCC)Cc1ccccc1F ZINC000056312523 518755733 /nfs/dbraw/zinc/75/57/33/518755733.db2.gz QNGDNFIJJJNTRH-UHFFFAOYSA-N 1 2 250.317 1.950 20 30 CDEDLO C=CC[N@H+](CC(=O)NCC)Cc1ccccc1F ZINC000056312523 518755736 /nfs/dbraw/zinc/75/57/36/518755736.db2.gz QNGDNFIJJJNTRH-UHFFFAOYSA-N 1 2 250.317 1.950 20 30 CDEDLO C=CC[NH+](CC=C)Cc1cn(Cc2cccnc2)nn1 ZINC000182938932 518770498 /nfs/dbraw/zinc/77/04/98/518770498.db2.gz OSNIUIDUKDEZDP-UHFFFAOYSA-N 1 2 269.352 1.895 20 30 CDEDLO COCC(=O)N1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000183967362 522747666 /nfs/dbraw/zinc/74/76/66/522747666.db2.gz LCUXDNGNBNUSJJ-CYBMUJFWSA-N 1 2 287.363 1.410 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CC#Cc2ccccc2)CC1 ZINC001113665271 1162250968 /nfs/dbraw/zinc/25/09/68/1162250968.db2.gz XXUYRRHEPDSKQJ-UHFFFAOYSA-N 1 2 280.371 1.596 20 30 CDEDLO CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159439427 523211091 /nfs/dbraw/zinc/21/10/91/523211091.db2.gz ROBWLBOOIOBGEY-OAHLLOKOSA-N 1 2 294.358 1.976 20 30 CDEDLO O=C(NCc1ccncn1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329187799 534757266 /nfs/dbraw/zinc/75/72/66/534757266.db2.gz QHJGKDOXUNSLGB-AWEZNQCLSA-N 1 2 290.367 1.577 20 30 CDEDLO O=C(NCc1ccncn1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329187799 534757273 /nfs/dbraw/zinc/75/72/73/534757273.db2.gz QHJGKDOXUNSLGB-AWEZNQCLSA-N 1 2 290.367 1.577 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338627226 524267897 /nfs/dbraw/zinc/26/78/97/524267897.db2.gz QHLUNKIWXKNWBX-XHDPSFHLSA-N 1 2 291.326 1.292 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@](F)(CO)C1 ZINC000338627226 524267904 /nfs/dbraw/zinc/26/79/04/524267904.db2.gz QHLUNKIWXKNWBX-XHDPSFHLSA-N 1 2 291.326 1.292 20 30 CDEDLO Cc1nc(C(=O)N2CCn3cc[nH+]c3C2)ccc1C#N ZINC000358170965 526644505 /nfs/dbraw/zinc/64/45/05/526644505.db2.gz JETSREGJPDTRSE-UHFFFAOYSA-N 1 2 267.292 1.114 20 30 CDEDLO C=CCOCC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000354758866 526708879 /nfs/dbraw/zinc/70/88/79/526708879.db2.gz SIAPFTDVLGHBCH-UHFFFAOYSA-N 1 2 275.352 1.501 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000347667340 527379162 /nfs/dbraw/zinc/37/91/62/527379162.db2.gz FRVWBVKYGVMSFU-KBPBESRZSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000347667340 527379165 /nfs/dbraw/zinc/37/91/65/527379165.db2.gz FRVWBVKYGVMSFU-KBPBESRZSA-N 1 2 284.400 1.195 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000347644136 527521122 /nfs/dbraw/zinc/52/11/22/527521122.db2.gz LGLXIQUQPYSDRV-HIFRSBDPSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000347644136 527521128 /nfs/dbraw/zinc/52/11/28/527521128.db2.gz LGLXIQUQPYSDRV-HIFRSBDPSA-N 1 2 268.401 1.816 20 30 CDEDLO CC1(C)C[C@H]1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000330223537 527761335 /nfs/dbraw/zinc/76/13/35/527761335.db2.gz AHBPFVJUVAQDTG-LLVKDONJSA-N 1 2 267.373 1.153 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000350627794 527929402 /nfs/dbraw/zinc/92/94/02/527929402.db2.gz GEOCDPRFYDRYOA-GUTXKFCHSA-N 1 2 279.384 1.294 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000350627794 527929412 /nfs/dbraw/zinc/92/94/12/527929412.db2.gz GEOCDPRFYDRYOA-GUTXKFCHSA-N 1 2 279.384 1.294 20 30 CDEDLO CC1=CC[N@H+](CCNC(=O)[C@H]2CCc3[nH]nnc3C2)CC1 ZINC000329046615 528114454 /nfs/dbraw/zinc/11/44/54/528114454.db2.gz QBSLNFOFJQMYGK-LBPRGKRZSA-N 1 2 289.383 1.518 20 30 CDEDLO CC1=CC[N@@H+](CCNC(=O)[C@H]2CCc3[nH]nnc3C2)CC1 ZINC000329046615 528114459 /nfs/dbraw/zinc/11/44/59/528114459.db2.gz QBSLNFOFJQMYGK-LBPRGKRZSA-N 1 2 289.383 1.518 20 30 CDEDLO CC1=CC[N@H+](CCNC(=O)[C@H]2CCc3nn[nH]c3C2)CC1 ZINC000329046615 528114465 /nfs/dbraw/zinc/11/44/65/528114465.db2.gz QBSLNFOFJQMYGK-LBPRGKRZSA-N 1 2 289.383 1.518 20 30 CDEDLO CC1=CC[N@@H+](CCNC(=O)[C@H]2CCc3nn[nH]c3C2)CC1 ZINC000329046615 528114471 /nfs/dbraw/zinc/11/44/71/528114471.db2.gz QBSLNFOFJQMYGK-LBPRGKRZSA-N 1 2 289.383 1.518 20 30 CDEDLO C#CCOCCNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000753377316 574750316 /nfs/dbraw/zinc/75/03/16/574750316.db2.gz ACGVCMAKPQDEHD-KGLIPLIRSA-N 1 2 290.367 1.125 20 30 CDEDLO C=C(Br)C[N@H+](C)CCN1CCCC1=O ZINC000733032622 575100394 /nfs/dbraw/zinc/10/03/94/575100394.db2.gz RAVPFSGXRXCOMS-UHFFFAOYSA-N 1 2 261.163 1.449 20 30 CDEDLO C=C(Br)C[N@@H+](C)CCN1CCCC1=O ZINC000733032622 575100395 /nfs/dbraw/zinc/10/03/95/575100395.db2.gz RAVPFSGXRXCOMS-UHFFFAOYSA-N 1 2 261.163 1.449 20 30 CDEDLO Cn1c[nH+]cc1C=NN1C(=S)N=NC1c1cccs1 ZINC000755530581 575156070 /nfs/dbraw/zinc/15/60/70/575156070.db2.gz IVSNFHHIZIBPKS-UHFFFAOYSA-N 1 2 290.377 1.911 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ccn(C(CC)CC)n2)CC1 ZINC000770276729 575436375 /nfs/dbraw/zinc/43/63/75/575436375.db2.gz SJUIXABZAXLLJQ-UHFFFAOYSA-N 1 2 288.395 1.635 20 30 CDEDLO C=C(Cl)CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000736239999 575600171 /nfs/dbraw/zinc/60/01/71/575600171.db2.gz DQMCDQURBQQKFB-UHFFFAOYSA-N 1 2 263.688 1.145 20 30 CDEDLO CCCCCCN(CC[NH+]1CCOCC1)C(=O)CC#N ZINC000772398541 575696313 /nfs/dbraw/zinc/69/63/13/575696313.db2.gz XWCLSVPJGNAJJE-UHFFFAOYSA-N 1 2 281.400 1.641 20 30 CDEDLO C#CCN(C(=O)NCC[NH+]1Cc2ccccc2C1)C1CC1 ZINC000764692281 575934217 /nfs/dbraw/zinc/93/42/17/575934217.db2.gz ABYMEVHDUFRMAB-UHFFFAOYSA-N 1 2 283.375 1.809 20 30 CDEDLO Nc1[nH+]cccc1CN=Nc1ncccc1[N+](=O)[O-] ZINC000764695745 575934773 /nfs/dbraw/zinc/93/47/73/575934773.db2.gz AISHZNJVVUYCJA-UHFFFAOYSA-N 1 2 258.241 1.413 20 30 CDEDLO N#Cc1cccnc1NCCNc1nc[nH+]c(N)c1Cl ZINC000764792624 575947454 /nfs/dbraw/zinc/94/74/54/575947454.db2.gz WPTVRCWWXQQNSB-UHFFFAOYSA-N 1 2 289.730 1.503 20 30 CDEDLO N#Cc1cccnc1NCCNc1[nH+]cnc(N)c1Cl ZINC000764792624 575947456 /nfs/dbraw/zinc/94/74/56/575947456.db2.gz WPTVRCWWXQQNSB-UHFFFAOYSA-N 1 2 289.730 1.503 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)nc1 ZINC000759469092 576392433 /nfs/dbraw/zinc/39/24/33/576392433.db2.gz JRJLRYDQHQCAQN-BBRMVZONSA-N 1 2 294.358 1.983 20 30 CDEDLO COc1cccc(O)c1/C=[NH+]/CCc1ccn(C)n1 ZINC000761016683 576535100 /nfs/dbraw/zinc/53/51/00/576535100.db2.gz YFMWVLRLZDEJCS-XNTDXEJSSA-N 1 2 259.309 1.796 20 30 CDEDLO Cn1c[nH+]cc1COC(=O)Cc1ccccc1CC#N ZINC000761109584 576549553 /nfs/dbraw/zinc/54/95/53/576549553.db2.gz NWFGCWJXSUSEBM-UHFFFAOYSA-N 1 2 269.304 1.772 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745081487 576713186 /nfs/dbraw/zinc/71/31/86/576713186.db2.gz ZUWJYWPAHHEYMS-IUODEOHRSA-N 1 2 295.383 1.068 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000745081487 576713188 /nfs/dbraw/zinc/71/31/88/576713188.db2.gz ZUWJYWPAHHEYMS-IUODEOHRSA-N 1 2 295.383 1.068 20 30 CDEDLO CCC1N=NC(=S)N1N=C1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000753954709 576869244 /nfs/dbraw/zinc/86/92/44/576869244.db2.gz FZAZXNDSEYPHGV-MRVPVSSYSA-N 1 2 265.386 1.590 20 30 CDEDLO CCC1N=NC(=S)N1N=C1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000753954709 576869245 /nfs/dbraw/zinc/86/92/45/576869245.db2.gz FZAZXNDSEYPHGV-MRVPVSSYSA-N 1 2 265.386 1.590 20 30 CDEDLO CC(C)N1CC[C@H](O[NH+]=C(N)c2ccc(F)cc2)C1=O ZINC000747827748 576885983 /nfs/dbraw/zinc/88/59/83/576885983.db2.gz PDMWAXXWGTYNRC-LBPRGKRZSA-N 1 2 279.315 1.472 20 30 CDEDLO CCc1ccc([C@H](COC)[NH2+]CC(=O)NCCC#N)o1 ZINC000754346173 576892583 /nfs/dbraw/zinc/89/25/83/576892583.db2.gz DEGXHJRRROPIDV-LBPRGKRZSA-N 1 2 279.340 1.149 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccccc1OCC#N ZINC000748406724 576911039 /nfs/dbraw/zinc/91/10/39/576911039.db2.gz VGYUYNJNEMOSPK-UHFFFAOYSA-N 1 2 270.292 1.551 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCSC1 ZINC000748734440 576922430 /nfs/dbraw/zinc/92/24/30/576922430.db2.gz HDKFYGIDOIXUAC-RYUDHWBXSA-N 1 2 252.383 1.096 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCSC1 ZINC000748734440 576922432 /nfs/dbraw/zinc/92/24/32/576922432.db2.gz HDKFYGIDOIXUAC-RYUDHWBXSA-N 1 2 252.383 1.096 20 30 CDEDLO C[C@H](CO)N[NH+]=Cc1sc(N2CCCC2)nc1Cl ZINC000749820404 576964578 /nfs/dbraw/zinc/96/45/78/576964578.db2.gz CTBORPBRBRGAQE-MRVPVSSYSA-N 1 2 288.804 1.701 20 30 CDEDLO CC#CCCNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000757752565 577053977 /nfs/dbraw/zinc/05/39/77/577053977.db2.gz FLJMKLKKOQFGCF-UHFFFAOYSA-N 1 2 260.341 1.991 20 30 CDEDLO Cc1noc([C@H]2CCC[N@H+](Cn3cccc(C#N)c3=O)C2)n1 ZINC000758194556 577079815 /nfs/dbraw/zinc/07/98/15/577079815.db2.gz SJFAFWAJGGVXKM-ZDUSSCGKSA-N 1 2 299.334 1.249 20 30 CDEDLO Cc1noc([C@H]2CCC[N@@H+](Cn3cccc(C#N)c3=O)C2)n1 ZINC000758194556 577079817 /nfs/dbraw/zinc/07/98/17/577079817.db2.gz SJFAFWAJGGVXKM-ZDUSSCGKSA-N 1 2 299.334 1.249 20 30 CDEDLO C#CCNC(=S)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000758236205 577088033 /nfs/dbraw/zinc/08/80/33/577088033.db2.gz VFXJRWOEUGZODG-LBPRGKRZSA-N 1 2 297.374 1.665 20 30 CDEDLO C[N@H+](CCc1nccs1)Cn1cccc(C#N)c1=O ZINC000758242317 577089364 /nfs/dbraw/zinc/08/93/64/577089364.db2.gz MMNSHVPUUFQIDV-UHFFFAOYSA-N 1 2 274.349 1.308 20 30 CDEDLO C[N@@H+](CCc1nccs1)Cn1cccc(C#N)c1=O ZINC000758242317 577089367 /nfs/dbraw/zinc/08/93/67/577089367.db2.gz MMNSHVPUUFQIDV-UHFFFAOYSA-N 1 2 274.349 1.308 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nc(CC)no2)C1 ZINC001690220699 1175407009 /nfs/dbraw/zinc/40/70/09/1175407009.db2.gz RTLPKHWVSIBVMR-RYUDHWBXSA-N 1 2 292.383 1.850 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccnc(C3CC3)n2)C1 ZINC000952391982 612992398 /nfs/dbraw/zinc/99/23/98/612992398.db2.gz RGHPKNQBTLDTLL-UHFFFAOYSA-N 1 2 298.390 1.524 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2conc2C(C)C)C1 ZINC000950501045 612992733 /nfs/dbraw/zinc/99/27/33/612992733.db2.gz NEJQWQKHLXQNDZ-UHFFFAOYSA-N 1 2 289.379 1.968 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2sccc2OC)C1 ZINC000957308003 612993141 /nfs/dbraw/zinc/99/31/41/612993141.db2.gz XZSZAXQGHDRWHW-UHFFFAOYSA-N 1 2 292.404 1.926 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2cc3cnccc3o2)CC1 ZINC000981555405 613157598 /nfs/dbraw/zinc/15/75/98/613157598.db2.gz QZZSARQINGJWPT-UHFFFAOYSA-N 1 2 283.331 1.609 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc3cnccc3o2)CC1 ZINC000981555405 613157599 /nfs/dbraw/zinc/15/75/99/613157599.db2.gz QZZSARQINGJWPT-UHFFFAOYSA-N 1 2 283.331 1.609 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3C=CCC3)C2)C1 ZINC000972247210 613210995 /nfs/dbraw/zinc/21/09/95/613210995.db2.gz BXAYORSKYILWGP-RDJZCZTQSA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3C=CCC3)C2)C1 ZINC000972247210 613210996 /nfs/dbraw/zinc/21/09/96/613210996.db2.gz BXAYORSKYILWGP-RDJZCZTQSA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nccs2)C(C)(C)C1 ZINC000977388812 613284922 /nfs/dbraw/zinc/28/49/22/613284922.db2.gz NANHXSMEGAKVIB-SNVBAGLBSA-N 1 2 263.366 1.217 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nccs2)C(C)(C)C1 ZINC000977388812 613284924 /nfs/dbraw/zinc/28/49/24/613284924.db2.gz NANHXSMEGAKVIB-SNVBAGLBSA-N 1 2 263.366 1.217 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCOC[C@@H]2C)C1 ZINC000951700902 613295412 /nfs/dbraw/zinc/29/54/12/613295412.db2.gz OPGSNTXQCXLYPR-ZFWWWQNUSA-N 1 2 280.412 1.768 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(OC)nc2)C1 ZINC000950818613 613296553 /nfs/dbraw/zinc/29/65/53/613296553.db2.gz VGMYLRAFGQNWQA-UHFFFAOYSA-N 1 2 289.379 1.813 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnn3cc(C)cnc23)CC1 ZINC000951002379 613321914 /nfs/dbraw/zinc/32/19/14/613321914.db2.gz CKHKWJLSGFUFHU-UHFFFAOYSA-N 1 2 299.378 1.372 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)c2cn[nH]c(=O)c2)CC1 ZINC000981397860 613374251 /nfs/dbraw/zinc/37/42/51/613374251.db2.gz UEBAIHNGZMQGMD-UHFFFAOYSA-N 1 2 296.758 1.083 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)c2cn[nH]c(=O)c2)CC1 ZINC000981397860 613374252 /nfs/dbraw/zinc/37/42/52/613374252.db2.gz UEBAIHNGZMQGMD-UHFFFAOYSA-N 1 2 296.758 1.083 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cn(C)nn2)C(C)(C)C1 ZINC000974550334 613381257 /nfs/dbraw/zinc/38/12/57/613381257.db2.gz AVDGSPLTHQMDKU-NSHDSACASA-N 1 2 297.790 1.008 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cn(C)nn2)C(C)(C)C1 ZINC000974550334 613381258 /nfs/dbraw/zinc/38/12/58/613381258.db2.gz AVDGSPLTHQMDKU-NSHDSACASA-N 1 2 297.790 1.008 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+](CC(=C)C)C1 ZINC000951785448 613462145 /nfs/dbraw/zinc/46/21/45/613462145.db2.gz OJHKFGDMEAIYKZ-CABCVRRESA-N 1 2 278.396 1.686 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCO[C@@H]2CC)C1 ZINC000950489536 613653760 /nfs/dbraw/zinc/65/37/60/613653760.db2.gz AIONUPLHSLITLT-HUUCEWRRSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCc3cccnc32)C1 ZINC000951549913 613655974 /nfs/dbraw/zinc/65/59/74/613655974.db2.gz GCJLKXATJTVVOP-HNNXBMFYSA-N 1 2 285.391 1.830 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CN(C)c2ccccc2)CC1 ZINC000957866114 613707988 /nfs/dbraw/zinc/70/79/88/613707988.db2.gz RKPHIXMXNHUMJE-UHFFFAOYSA-N 1 2 273.380 1.453 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@H](C)n2nc(C)cc2C)CC1 ZINC000957661659 613708736 /nfs/dbraw/zinc/70/87/36/613708736.db2.gz PXERRDDICWYCFC-HNNXBMFYSA-N 1 2 290.411 1.781 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2cc(F)ccc2OC)CC1 ZINC000952367934 613709350 /nfs/dbraw/zinc/70/93/50/613709350.db2.gz CLSKLPYHFXONMW-UHFFFAOYSA-N 1 2 292.354 1.707 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC000949357938 613711895 /nfs/dbraw/zinc/71/18/95/613711895.db2.gz SMDYRRRHKVEUSG-MELADBBJSA-N 1 2 264.369 1.132 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000951107876 613713576 /nfs/dbraw/zinc/71/35/76/613713576.db2.gz ICDAFICLUGZBFP-OAHLLOKOSA-N 1 2 290.338 1.459 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]c(Br)c2)CC1 ZINC000949343364 613714676 /nfs/dbraw/zinc/71/46/76/613714676.db2.gz YKIQMBBRRMYLGY-UHFFFAOYSA-N 1 2 298.184 1.721 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(OCC)nc2)CC1 ZINC000948627002 613716073 /nfs/dbraw/zinc/71/60/73/613716073.db2.gz CCWGYHWPUQVHJF-UHFFFAOYSA-N 1 2 275.352 1.424 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc3c2O[C@@H](C)C3)CC1 ZINC000949350981 613716930 /nfs/dbraw/zinc/71/69/30/613716930.db2.gz ZLNJNYMSSDGSSY-ZDUSSCGKSA-N 1 2 286.375 1.954 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]c(=O)cc2C)CC1 ZINC000950430573 613717994 /nfs/dbraw/zinc/71/79/94/613717994.db2.gz ZKBVSBWZESKELF-UHFFFAOYSA-N 1 2 261.325 1.039 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc[nH]c3C)C2)C1 ZINC000972333800 613724551 /nfs/dbraw/zinc/72/45/51/613724551.db2.gz SVOXOOKQCISUNT-INIZCTEOSA-N 1 2 289.379 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc[nH]c3C)C2)C1 ZINC000972333800 613724553 /nfs/dbraw/zinc/72/45/53/613724553.db2.gz SVOXOOKQCISUNT-INIZCTEOSA-N 1 2 289.379 1.426 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](OC)C(C)C)C2)C1 ZINC000972532482 613724606 /nfs/dbraw/zinc/72/46/06/613724606.db2.gz RVQWWEZELHVGGF-ZBFHGGJFSA-N 1 2 296.411 1.147 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](OC)C(C)C)C2)C1 ZINC000972532482 613724609 /nfs/dbraw/zinc/72/46/09/613724609.db2.gz RVQWWEZELHVGGF-ZBFHGGJFSA-N 1 2 296.411 1.147 20 30 CDEDLO COC(=O)c1ccc(C[NH2+]C[C@@H](C)C#N)c(F)c1 ZINC000893545965 618092092 /nfs/dbraw/zinc/09/20/92/618092092.db2.gz ZAXYIEWDFDCAKP-VIFPVBQESA-N 1 2 250.273 1.862 20 30 CDEDLO Cc1n[nH]c(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1C ZINC000893923382 618180665 /nfs/dbraw/zinc/18/06/65/618180665.db2.gz GHSQHSZHBIAVQZ-UHFFFAOYSA-N 1 2 296.378 1.615 20 30 CDEDLO CN(C)c1ccc(C=[NH+]OCC(N)=O)c(C(F)(F)F)c1 ZINC000794526045 619345166 /nfs/dbraw/zinc/34/51/66/619345166.db2.gz LXGMMILESGABEY-UHFFFAOYSA-N 1 2 289.257 1.607 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)Nc1cccnc1C#N ZINC000895800824 619850974 /nfs/dbraw/zinc/85/09/74/619850974.db2.gz DITJMSVOKHDCRW-GFCCVEGCSA-N 1 2 260.341 1.476 20 30 CDEDLO C=C1CCC(C(=O)N[C@H](Cn2cc[nH+]c2)C(=O)OC)CC1 ZINC000897444383 620829972 /nfs/dbraw/zinc/82/99/72/620829972.db2.gz DDKDRSXVVLTNAO-CYBMUJFWSA-N 1 2 291.351 1.287 20 30 CDEDLO C#Cc1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000897735062 621109066 /nfs/dbraw/zinc/10/90/66/621109066.db2.gz LGCAVENIJFCBPV-PBHICJAKSA-N 1 2 298.386 1.603 20 30 CDEDLO C[C@H]1Cc2cc(NC[C@H](O)C[N@H+](C)CCC#N)ccc2O1 ZINC000899896740 622513133 /nfs/dbraw/zinc/51/31/33/622513133.db2.gz PTXBQIPOFOJTRO-WFASDCNBSA-N 1 2 289.379 1.628 20 30 CDEDLO C[C@H]1Cc2cc(NC[C@H](O)C[N@@H+](C)CCC#N)ccc2O1 ZINC000899896740 622513139 /nfs/dbraw/zinc/51/31/39/622513139.db2.gz PTXBQIPOFOJTRO-WFASDCNBSA-N 1 2 289.379 1.628 20 30 CDEDLO CCn1c[nH+]cc1/C=C/C(=O)c1cc2n(n1)CCC2 ZINC000901560109 624336783 /nfs/dbraw/zinc/33/67/83/624336783.db2.gz GENBZRZVGXHCEW-AATRIKPKSA-N 1 2 256.309 1.942 20 30 CDEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1cc(CO)on1 ZINC000905077060 626618861 /nfs/dbraw/zinc/61/88/61/626618861.db2.gz QIAAVNNFDYYKPK-ONEGZZNKSA-N 1 2 261.281 1.840 20 30 CDEDLO C#CC[N@H+](CN1C(=O)C2(CCC2)[C@H]1[C@@H]1CCCO1)C(C)C ZINC000905749143 626944978 /nfs/dbraw/zinc/94/49/78/626944978.db2.gz MVGBZFBWVWDYTF-LSDHHAIUSA-N 1 2 290.407 1.848 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)C2(CCC2)[C@H]1[C@@H]1CCCO1)C(C)C ZINC000905749143 626944980 /nfs/dbraw/zinc/94/49/80/626944980.db2.gz MVGBZFBWVWDYTF-LSDHHAIUSA-N 1 2 290.407 1.848 20 30 CDEDLO C=CCCC(=O)[C@@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC000908658749 628319165 /nfs/dbraw/zinc/31/91/65/628319165.db2.gz GORSBDKOESWIAH-AWEZNQCLSA-N 1 2 289.379 1.879 20 30 CDEDLO N#Cc1sccc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000911572016 629333052 /nfs/dbraw/zinc/33/30/52/629333052.db2.gz QUMIRNCMKKRAGL-SECBINFHSA-N 1 2 272.333 1.561 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)NCCC#C[Si](C)(C)C ZINC000912329822 629911691 /nfs/dbraw/zinc/91/16/91/629911691.db2.gz WUVQRLCTGWKHFS-UHFFFAOYSA-N 1 2 263.417 1.350 20 30 CDEDLO C=CCCCC(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913467372 630497221 /nfs/dbraw/zinc/49/72/21/630497221.db2.gz LOSINHPGCQBATF-ZDUSSCGKSA-N 1 2 262.357 1.249 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2c(F)cncc2F)C1 ZINC000923594650 630628014 /nfs/dbraw/zinc/62/80/14/630628014.db2.gz MSTILJYSZHJLCZ-SNVBAGLBSA-N 1 2 279.290 1.187 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c(F)cncc2F)C1 ZINC000923594650 630628015 /nfs/dbraw/zinc/62/80/15/630628015.db2.gz MSTILJYSZHJLCZ-SNVBAGLBSA-N 1 2 279.290 1.187 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2C)C1 ZINC000923595946 630708339 /nfs/dbraw/zinc/70/83/39/630708339.db2.gz CTTOUCPIZYHRQQ-GFCCVEGCSA-N 1 2 262.378 1.884 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C)C1 ZINC000923595946 630708341 /nfs/dbraw/zinc/70/83/41/630708341.db2.gz CTTOUCPIZYHRQQ-GFCCVEGCSA-N 1 2 262.378 1.884 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000913808511 630790267 /nfs/dbraw/zinc/79/02/67/630790267.db2.gz DDCRCFDJBNXYBX-RRFJBIMHSA-N 1 2 296.411 1.195 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000913808511 630790273 /nfs/dbraw/zinc/79/02/73/630790273.db2.gz DDCRCFDJBNXYBX-RRFJBIMHSA-N 1 2 296.411 1.195 20 30 CDEDLO C#CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)C(C)C ZINC000917015158 632126198 /nfs/dbraw/zinc/12/61/98/632126198.db2.gz FEAFIOZZVWCSNC-UONOGXRCSA-N 1 2 281.400 1.149 20 30 CDEDLO CC[C@H](Cc1ccc2c(c1)OCO2)N1CC[NH2+]C[C@H]1C#N ZINC001170436886 1162441933 /nfs/dbraw/zinc/44/19/33/1162441933.db2.gz LCMXBHTZXHXBBV-ZIAGYGMSSA-N 1 2 287.363 1.534 20 30 CDEDLO N#CCCCCNc1ccc(C2(C(N)=O)CC2)c[nH+]1 ZINC001168427567 1161061992 /nfs/dbraw/zinc/06/19/92/1161061992.db2.gz POECIQNXSDONRM-UHFFFAOYSA-N 1 2 258.325 1.704 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2cccc3n[nH]cc32)C1 ZINC001033911494 1161508560 /nfs/dbraw/zinc/50/85/60/1161508560.db2.gz BCCUQUNKTGEIPS-ZDUSSCGKSA-N 1 2 296.374 1.733 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc3n[nH]cc32)C1 ZINC001033911494 1161508564 /nfs/dbraw/zinc/50/85/64/1161508564.db2.gz BCCUQUNKTGEIPS-ZDUSSCGKSA-N 1 2 296.374 1.733 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](C)OCC2CC2)CC1 ZINC001112673800 1162049572 /nfs/dbraw/zinc/04/95/72/1162049572.db2.gz CARCIDPYWDXOFM-AWEZNQCLSA-N 1 2 296.411 1.148 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC001113229101 1162133241 /nfs/dbraw/zinc/13/32/41/1162133241.db2.gz CTFHZSTXUWGWNW-LSDHHAIUSA-N 1 2 298.427 1.252 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1CCO[C@H](CC)C1 ZINC001170164223 1162269112 /nfs/dbraw/zinc/26/91/12/1162269112.db2.gz FDPDUWAEMPHVRE-AXFHLTTASA-N 1 2 261.387 1.395 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170714823 1163986850 /nfs/dbraw/zinc/98/68/50/1163986850.db2.gz BEVIHDKPQFMROY-VLEAKVRGSA-N 1 2 257.399 1.872 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21 ZINC001114348498 1164493453 /nfs/dbraw/zinc/49/34/53/1164493453.db2.gz MSSHFIFARSNLSG-VIKVFOODSA-N 1 2 286.379 1.379 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21 ZINC001114348498 1164493454 /nfs/dbraw/zinc/49/34/54/1164493454.db2.gz MSSHFIFARSNLSG-VIKVFOODSA-N 1 2 286.379 1.379 20 30 CDEDLO Cc1[nH]c(CNC(=O)c2cc(C#N)ccn2)[nH+]c1C ZINC001629648672 1166154278 /nfs/dbraw/zinc/15/42/78/1166154278.db2.gz AVBPTXYVAZGFCY-UHFFFAOYSA-N 1 2 255.281 1.223 20 30 CDEDLO C#CCOCC[N@H+]1CCOC[C@@H]1c1ccc(OC)cc1 ZINC000879740086 1166405752 /nfs/dbraw/zinc/40/57/52/1166405752.db2.gz INXMSMPTBKHRHJ-MRXNPFEDSA-N 1 2 275.348 1.718 20 30 CDEDLO C#CCOCC[N@@H+]1CCOC[C@@H]1c1ccc(OC)cc1 ZINC000879740086 1166405756 /nfs/dbraw/zinc/40/57/56/1166405756.db2.gz INXMSMPTBKHRHJ-MRXNPFEDSA-N 1 2 275.348 1.718 20 30 CDEDLO C[C@@H](CC(=O)Nc1cc(C#N)ccn1)n1cc[nH+]c1 ZINC001538826302 1167908290 /nfs/dbraw/zinc/90/82/90/1167908290.db2.gz OXBNLHTWEBCUOI-JTQLQIEISA-N 1 2 255.281 1.740 20 30 CDEDLO C#CCCCCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2c[nH]nn2)C1 ZINC001574883230 1171037781 /nfs/dbraw/zinc/03/77/81/1171037781.db2.gz PLOZTLCVMYTLBG-BETUJISGSA-N 1 2 289.383 1.125 20 30 CDEDLO C#CCCCCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cn[nH]n2)C1 ZINC001574883230 1171037788 /nfs/dbraw/zinc/03/77/88/1171037788.db2.gz PLOZTLCVMYTLBG-BETUJISGSA-N 1 2 289.383 1.125 20 30 CDEDLO N#CCCCOc1cccnc1NC(=O)C[C@H]([NH3+])C(F)F ZINC001580051338 1172335170 /nfs/dbraw/zinc/33/51/70/1172335170.db2.gz DSKRTOZAUQDYRY-VIFPVBQESA-N 1 2 298.293 1.685 20 30 CDEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC001603737085 1175611535 /nfs/dbraw/zinc/61/15/35/1175611535.db2.gz QYWJVFMAENOHLA-LBPRGKRZSA-N 1 2 258.285 1.195 20 30 CDEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC001603737085 1175611537 /nfs/dbraw/zinc/61/15/37/1175611537.db2.gz QYWJVFMAENOHLA-LBPRGKRZSA-N 1 2 258.285 1.195 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CO[C@H](C)CC ZINC001713449794 1178569231 /nfs/dbraw/zinc/56/92/31/1178569231.db2.gz UXUHXVAGQCICRS-LLVKDONJSA-N 1 2 262.781 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CO[C@H](C)CC ZINC001713449794 1178569238 /nfs/dbraw/zinc/56/92/38/1178569238.db2.gz UXUHXVAGQCICRS-LLVKDONJSA-N 1 2 262.781 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccn[nH]1 ZINC001725152112 1181884450 /nfs/dbraw/zinc/88/44/50/1181884450.db2.gz AISIDLKWDKTFOS-VIFPVBQESA-N 1 2 256.737 1.212 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccn[nH]1 ZINC001725152112 1181884451 /nfs/dbraw/zinc/88/44/51/1181884451.db2.gz AISIDLKWDKTFOS-VIFPVBQESA-N 1 2 256.737 1.212 20 30 CDEDLO C#CCN1CC[NH+](CCNC(=O)C2=CCCCCC2)CC1 ZINC001752365200 1184854718 /nfs/dbraw/zinc/85/47/18/1184854718.db2.gz TZSBQWHBEOCLOH-UHFFFAOYSA-N 1 2 289.423 1.244 20 30 CDEDLO CC#CC[NH2+][C@@H](C)CNC(=O)C(F)C(F)(F)F ZINC001752876379 1184946941 /nfs/dbraw/zinc/94/69/41/1184946941.db2.gz XWZZNEKJGPHGHN-YUMQZZPRSA-N 1 2 254.227 1.004 20 30 CDEDLO CC#CC[NH2+][C@@H](C)CNC(=O)[C@H](F)C(F)(F)F ZINC001752876379 1184946944 /nfs/dbraw/zinc/94/69/44/1184946944.db2.gz XWZZNEKJGPHGHN-YUMQZZPRSA-N 1 2 254.227 1.004 20 30 CDEDLO CC#CCCCC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1nc(C)no1 ZINC001752894944 1184954390 /nfs/dbraw/zinc/95/43/90/1184954390.db2.gz YBUBTPMVGBPGII-NEPJUHHUSA-N 1 2 292.383 1.727 20 30 CDEDLO C[N@H+](CCNC(=O)C1CC1)Cc1ccccc1C#N ZINC001753039074 1185004316 /nfs/dbraw/zinc/00/43/16/1185004316.db2.gz LYJUHDYRJZYMAL-UHFFFAOYSA-N 1 2 257.337 1.516 20 30 CDEDLO C[N@@H+](CCNC(=O)C1CC1)Cc1ccccc1C#N ZINC001753039074 1185004322 /nfs/dbraw/zinc/00/43/22/1185004322.db2.gz LYJUHDYRJZYMAL-UHFFFAOYSA-N 1 2 257.337 1.516 20 30 CDEDLO C=C(C)C[N@H+](C)CCNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001753059451 1185026099 /nfs/dbraw/zinc/02/60/99/1185026099.db2.gz IRVWOVNUGGDAFE-UHFFFAOYSA-N 1 2 299.378 1.709 20 30 CDEDLO C=C(C)C[N@@H+](C)CCNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001753059451 1185026105 /nfs/dbraw/zinc/02/61/05/1185026105.db2.gz IRVWOVNUGGDAFE-UHFFFAOYSA-N 1 2 299.378 1.709 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](CC)OC2CCCC2)C1 ZINC001753389159 1185181248 /nfs/dbraw/zinc/18/12/48/1185181248.db2.gz JOZGGJDEVLGSKJ-OAHLLOKOSA-N 1 2 278.396 1.548 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCc1cccs1 ZINC001753427948 1185199691 /nfs/dbraw/zinc/19/96/91/1185199691.db2.gz QADCPBIWZOBZFA-KBPBESRZSA-N 1 2 288.416 1.989 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCc1cccs1 ZINC001753427948 1185199693 /nfs/dbraw/zinc/19/96/93/1185199693.db2.gz QADCPBIWZOBZFA-KBPBESRZSA-N 1 2 288.416 1.989 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)CCCCC)C1 ZINC001753646453 1185285916 /nfs/dbraw/zinc/28/59/16/1185285916.db2.gz RYVINIQUIHECAR-ZDUSSCGKSA-N 1 2 254.374 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)CCCCC)C1 ZINC001753646453 1185285920 /nfs/dbraw/zinc/28/59/20/1185285920.db2.gz RYVINIQUIHECAR-ZDUSSCGKSA-N 1 2 254.374 1.570 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)CCCC)C1=O ZINC001754473381 1185632146 /nfs/dbraw/zinc/63/21/46/1185632146.db2.gz JJVOSODOLXEXRG-UONOGXRCSA-N 1 2 293.411 1.154 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)CCCC)C1=O ZINC001754473381 1185632151 /nfs/dbraw/zinc/63/21/51/1185632151.db2.gz JJVOSODOLXEXRG-UONOGXRCSA-N 1 2 293.411 1.154 20 30 CDEDLO C=C(C)C[NH2+]C1(CNC(=O)c2cncc3nc[nH]c32)CC1 ZINC001754514737 1185654016 /nfs/dbraw/zinc/65/40/16/1185654016.db2.gz HSQSJRDFJPOQTB-UHFFFAOYSA-N 1 2 285.351 1.386 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@@H]2OC)C1 ZINC001754577342 1185672316 /nfs/dbraw/zinc/67/23/16/1185672316.db2.gz RIOOKZPEWNQARR-CABCVRRESA-N 1 2 296.411 1.147 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)CO[C@H]2CCCC[C@@H]2C)C1 ZINC001754583007 1185674892 /nfs/dbraw/zinc/67/48/92/1185674892.db2.gz JWZKQSPKHQFQFX-HOCLYGCPSA-N 1 2 292.423 1.748 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C1(C)CC1 ZINC001754968000 1185772486 /nfs/dbraw/zinc/77/24/86/1185772486.db2.gz VBTYTYPTRKEODT-LBPRGKRZSA-N 1 2 252.358 1.180 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C1(C)CC1 ZINC001754968000 1185772491 /nfs/dbraw/zinc/77/24/91/1185772491.db2.gz VBTYTYPTRKEODT-LBPRGKRZSA-N 1 2 252.358 1.180 20 30 CDEDLO C=CCCC(=O)N(C)CCC[N@H+](C)Cc1nnc(C)[nH]1 ZINC001755035214 1185791887 /nfs/dbraw/zinc/79/18/87/1185791887.db2.gz MGOBHNSPNVOAHR-UHFFFAOYSA-N 1 2 279.388 1.360 20 30 CDEDLO C=CCCC(=O)N(C)CCC[N@@H+](C)Cc1nnc(C)[nH]1 ZINC001755035214 1185791891 /nfs/dbraw/zinc/79/18/91/1185791891.db2.gz MGOBHNSPNVOAHR-UHFFFAOYSA-N 1 2 279.388 1.360 20 30 CDEDLO CC(C)C#CC(=O)N[C@@H]1CC[N@H+](Cc2ccon2)[C@H](C)C1 ZINC001755161258 1185834607 /nfs/dbraw/zinc/83/46/07/1185834607.db2.gz VNOMOUGMFJRFMS-ZIAGYGMSSA-N 1 2 289.379 1.803 20 30 CDEDLO CC(C)C#CC(=O)N[C@@H]1CC[N@@H+](Cc2ccon2)[C@H](C)C1 ZINC001755161258 1185834614 /nfs/dbraw/zinc/83/46/14/1185834614.db2.gz VNOMOUGMFJRFMS-ZIAGYGMSSA-N 1 2 289.379 1.803 20 30 CDEDLO C=CC[NH+]1CCN(c2ncnc(C(=O)OCC)c2C)CC1 ZINC001165031876 721867629 /nfs/dbraw/zinc/86/76/29/721867629.db2.gz YHZMNDPSPSOPIH-UHFFFAOYSA-N 1 2 290.367 1.270 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cc1cccnc1[N+](=O)[O-] ZINC000886287552 777709434 /nfs/dbraw/zinc/70/94/34/777709434.db2.gz UMNWFOULGPQVHG-UHFFFAOYSA-N 1 2 263.297 1.462 20 30 CDEDLO C#CCC[N@H+](CCOC)Cc1cccnc1[N+](=O)[O-] ZINC000886287552 777709445 /nfs/dbraw/zinc/70/94/45/777709445.db2.gz UMNWFOULGPQVHG-UHFFFAOYSA-N 1 2 263.297 1.462 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C#N)s2)C1 ZINC000923575220 777833035 /nfs/dbraw/zinc/83/30/35/777833035.db2.gz XKOJEQILVRHDNS-NSHDSACASA-N 1 2 273.361 1.447 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C#N)s2)C1 ZINC000923575220 777833036 /nfs/dbraw/zinc/83/30/36/777833036.db2.gz XKOJEQILVRHDNS-NSHDSACASA-N 1 2 273.361 1.447 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)ccc1F ZINC001038350877 778780920 /nfs/dbraw/zinc/78/09/20/778780920.db2.gz XRPLRVZFGGBXBO-GFCCVEGCSA-N 1 2 278.302 1.792 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)ccc1F ZINC001038350877 778780921 /nfs/dbraw/zinc/78/09/21/778780921.db2.gz XRPLRVZFGGBXBO-GFCCVEGCSA-N 1 2 278.302 1.792 20 30 CDEDLO C#C[C@H]([NH2+][C@@H](C)c1cn(C(C)C)nn1)[C@H]1CCCO1 ZINC000926209117 779619771 /nfs/dbraw/zinc/61/97/71/779619771.db2.gz CMWMAWJQEOAEJU-SGMGOOAPSA-N 1 2 262.357 1.690 20 30 CDEDLO Cc1noc([C@@H]2CCC[N@H+]2CCO[C@@H](C)C#N)n1 ZINC000796697886 779833748 /nfs/dbraw/zinc/83/37/48/779833748.db2.gz ZDJMOKLUPPLVBU-ONGXEEELSA-N 1 2 250.302 1.444 20 30 CDEDLO Cc1noc([C@@H]2CCC[N@@H+]2CCO[C@@H](C)C#N)n1 ZINC000796697886 779833750 /nfs/dbraw/zinc/83/37/50/779833750.db2.gz ZDJMOKLUPPLVBU-ONGXEEELSA-N 1 2 250.302 1.444 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)onc1CC ZINC001039011924 773734107 /nfs/dbraw/zinc/73/41/07/773734107.db2.gz IKBNJZMZXVSAJH-NSHDSACASA-N 1 2 263.341 1.536 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)onc1CC ZINC001039011924 773734117 /nfs/dbraw/zinc/73/41/17/773734117.db2.gz IKBNJZMZXVSAJH-NSHDSACASA-N 1 2 263.341 1.536 20 30 CDEDLO C=CCC[NH+]1CC(N(C)C(=O)c2cccc3n[nH]nc32)C1 ZINC001042776517 773775018 /nfs/dbraw/zinc/77/50/18/773775018.db2.gz RUBYMVNKPZVFCI-UHFFFAOYSA-N 1 2 285.351 1.290 20 30 CDEDLO C=CCC[NH+]1CC(N(C)C(=O)c2cccc3nn[nH]c32)C1 ZINC001042776517 773775022 /nfs/dbraw/zinc/77/50/22/773775022.db2.gz RUBYMVNKPZVFCI-UHFFFAOYSA-N 1 2 285.351 1.290 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2nc(Cl)cs2)C1 ZINC001033938409 773810825 /nfs/dbraw/zinc/81/08/25/773810825.db2.gz WRGAPEUEHZQBNN-SNVBAGLBSA-N 1 2 297.811 1.966 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2nc(Cl)cs2)C1 ZINC001033938409 773810832 /nfs/dbraw/zinc/81/08/32/773810832.db2.gz WRGAPEUEHZQBNN-SNVBAGLBSA-N 1 2 297.811 1.966 20 30 CDEDLO CCOC(=O)[C@H]1CCCC[N@@H+]1CCO[C@@H](C)C#N ZINC000381073354 773818604 /nfs/dbraw/zinc/81/86/04/773818604.db2.gz DJECFIXWHXYDNS-NWDGAFQWSA-N 1 2 254.330 1.333 20 30 CDEDLO CCOC(=O)[C@H]1CCCC[N@H+]1CCO[C@@H](C)C#N ZINC000381073354 773818609 /nfs/dbraw/zinc/81/86/09/773818609.db2.gz DJECFIXWHXYDNS-NWDGAFQWSA-N 1 2 254.330 1.333 20 30 CDEDLO C#CC1(F)CN(C(=O)NCc2cc(C)[nH+]c(C)c2)C1 ZINC000883749489 773842590 /nfs/dbraw/zinc/84/25/90/773842590.db2.gz JQMKDUPJTQCSCL-UHFFFAOYSA-N 1 2 261.300 1.565 20 30 CDEDLO CC1(C)CC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853525097 773856798 /nfs/dbraw/zinc/85/67/98/773856798.db2.gz SIQRQSUKLLKOBO-NSHDSACASA-N 1 2 263.341 1.355 20 30 CDEDLO CC1(C)CC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853525097 773856802 /nfs/dbraw/zinc/85/68/02/773856802.db2.gz SIQRQSUKLLKOBO-NSHDSACASA-N 1 2 263.341 1.355 20 30 CDEDLO Cc1nc(NC[C@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)cc[nH+]1 ZINC001065848919 773860613 /nfs/dbraw/zinc/86/06/13/773860613.db2.gz XVAPXDCYRYRPJO-WFASDCNBSA-N 1 2 298.390 1.705 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nn(C)cc1C ZINC001017548596 773862361 /nfs/dbraw/zinc/86/23/61/773862361.db2.gz XMAAZPZQSKVHIV-OKILXGFUSA-N 1 2 286.379 1.041 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nn(C)cc1C ZINC001017548596 773862365 /nfs/dbraw/zinc/86/23/65/773862365.db2.gz XMAAZPZQSKVHIV-OKILXGFUSA-N 1 2 286.379 1.041 20 30 CDEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cc1[nH]cc[nH+]1 ZINC000854425672 773878279 /nfs/dbraw/zinc/87/82/79/773878279.db2.gz PLBRIEYLEXAYCG-UHFFFAOYSA-N 1 2 289.335 1.642 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccon1 ZINC000960501059 773881115 /nfs/dbraw/zinc/88/11/15/773881115.db2.gz ICOFKOILXZQYSL-AAEUAGOBSA-N 1 2 276.340 1.257 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccon1 ZINC000960501059 773881118 /nfs/dbraw/zinc/88/11/18/773881118.db2.gz ICOFKOILXZQYSL-AAEUAGOBSA-N 1 2 276.340 1.257 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(COC)cs1 ZINC001032501486 773885631 /nfs/dbraw/zinc/88/56/31/773885631.db2.gz JULUFBMQTHPXBR-STQMWFEESA-N 1 2 292.404 1.979 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(COC)cs1 ZINC001032501486 773885634 /nfs/dbraw/zinc/88/56/34/773885634.db2.gz JULUFBMQTHPXBR-STQMWFEESA-N 1 2 292.404 1.979 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2cnccc21 ZINC001039021458 773904657 /nfs/dbraw/zinc/90/46/57/773904657.db2.gz HDKYNNBCUOOTPD-AWEZNQCLSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2cnccc21 ZINC001039021458 773904666 /nfs/dbraw/zinc/90/46/66/773904666.db2.gz HDKYNNBCUOOTPD-AWEZNQCLSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3CCCC3)C[C@H]21 ZINC001074141521 773929234 /nfs/dbraw/zinc/92/92/34/773929234.db2.gz ZDEAJBMUBHBEID-CVEARBPZSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CCCC3)C[C@H]21 ZINC001074141521 773929245 /nfs/dbraw/zinc/92/92/45/773929245.db2.gz ZDEAJBMUBHBEID-CVEARBPZSA-N 1 2 290.407 1.502 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(COC)c1 ZINC001032453220 773943658 /nfs/dbraw/zinc/94/36/58/773943658.db2.gz RDPWWFANPVZJOP-HOTGVXAUSA-N 1 2 299.374 1.150 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(COC)c1 ZINC001032453220 773943670 /nfs/dbraw/zinc/94/36/70/773943670.db2.gz RDPWWFANPVZJOP-HOTGVXAUSA-N 1 2 299.374 1.150 20 30 CDEDLO Cc1cnc([C@H](C)[NH2+]CC(=O)NCCC#N)s1 ZINC000124364815 773959804 /nfs/dbraw/zinc/95/98/04/773959804.db2.gz ZJIIITILLLFFGC-VIFPVBQESA-N 1 2 252.343 1.132 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(CC)[nH]n3)[C@@H]2C1 ZINC001075566476 773983675 /nfs/dbraw/zinc/98/36/75/773983675.db2.gz DXPXNEIWTPENQA-SWLSCSKDSA-N 1 2 286.379 1.142 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(CC)[nH]n3)[C@@H]2C1 ZINC001075566476 773983690 /nfs/dbraw/zinc/98/36/90/773983690.db2.gz DXPXNEIWTPENQA-SWLSCSKDSA-N 1 2 286.379 1.142 20 30 CDEDLO CSC[C@](C)(C#N)NC(=O)c1cccc2[nH+]ccn21 ZINC000809137877 773992877 /nfs/dbraw/zinc/99/28/77/773992877.db2.gz HRZPSCAJKUKPBC-ZDUSSCGKSA-N 1 2 274.349 1.709 20 30 CDEDLO Cc1nc(N[C@@H]2CCN(C(=O)C#CC3CC3)[C@H](C)C2)cc[nH+]1 ZINC001064770542 774017446 /nfs/dbraw/zinc/01/74/46/774017446.db2.gz SZFGIUQRTXBGMH-IUODEOHRSA-N 1 2 298.390 1.990 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2oc(CC)nc2C)C1 ZINC000923559813 774047782 /nfs/dbraw/zinc/04/77/82/774047782.db2.gz UEFHAPZZAHLMPH-LBPRGKRZSA-N 1 2 275.352 1.373 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2oc(CC)nc2C)C1 ZINC000923559813 774047787 /nfs/dbraw/zinc/04/77/87/774047787.db2.gz UEFHAPZZAHLMPH-LBPRGKRZSA-N 1 2 275.352 1.373 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C1CCC1 ZINC001032471580 774048198 /nfs/dbraw/zinc/04/81/98/774048198.db2.gz ZYKSTSUJSKOHAV-SNPRPXQTSA-N 1 2 260.381 1.731 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C1CCC1 ZINC001032471580 774048208 /nfs/dbraw/zinc/04/82/08/774048208.db2.gz ZYKSTSUJSKOHAV-SNPRPXQTSA-N 1 2 260.381 1.731 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)n2cccc2)C1 ZINC001010567142 774060135 /nfs/dbraw/zinc/06/01/35/774060135.db2.gz NDANWHYDKHWFLF-STQMWFEESA-N 1 2 281.787 1.992 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)n2cccc2)C1 ZINC001010567142 774060141 /nfs/dbraw/zinc/06/01/41/774060141.db2.gz NDANWHYDKHWFLF-STQMWFEESA-N 1 2 281.787 1.992 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc(C#N)cn2)C1 ZINC000889229938 774066813 /nfs/dbraw/zinc/06/68/13/774066813.db2.gz LPWZDUAVKVEHGF-GFCCVEGCSA-N 1 2 296.334 1.708 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1Cc2ccncc2C1 ZINC001032629671 774068748 /nfs/dbraw/zinc/06/87/48/774068748.db2.gz ICDXRDYYTLFDAO-XIRDDKMYSA-N 1 2 295.386 1.105 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1Cc2ccncc2C1 ZINC001032629671 774068757 /nfs/dbraw/zinc/06/87/57/774068757.db2.gz ICDXRDYYTLFDAO-XIRDDKMYSA-N 1 2 295.386 1.105 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001030765599 774074737 /nfs/dbraw/zinc/07/47/37/774074737.db2.gz GZWOSRWTMYAPPS-CQSZACIVSA-N 1 2 299.374 1.489 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2c3ccccc3NC2=O)C1 ZINC001044364849 774201546 /nfs/dbraw/zinc/20/15/46/774201546.db2.gz RVYKHZBOUVLONP-AWEZNQCLSA-N 1 2 299.374 1.441 20 30 CDEDLO CCCCCCCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000875765462 774208349 /nfs/dbraw/zinc/20/83/49/774208349.db2.gz OZVDDLNXGLVZDP-UHFFFAOYSA-N 1 2 285.432 1.930 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001035518416 774227681 /nfs/dbraw/zinc/22/76/81/774227681.db2.gz FUYJIYQKTYWMOY-MGPQQGTHSA-N 1 2 290.363 1.386 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001035518416 774227696 /nfs/dbraw/zinc/22/76/96/774227696.db2.gz FUYJIYQKTYWMOY-MGPQQGTHSA-N 1 2 290.363 1.386 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C(C)=O)cc2)C1 ZINC000923583008 774239628 /nfs/dbraw/zinc/23/96/28/774239628.db2.gz QZJIRYUIDUMKSL-INIZCTEOSA-N 1 2 284.359 1.717 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(C)=O)cc2)C1 ZINC000923583008 774239663 /nfs/dbraw/zinc/23/96/63/774239663.db2.gz QZJIRYUIDUMKSL-INIZCTEOSA-N 1 2 284.359 1.717 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)c2c(F)cccc2F)C1 ZINC001030683017 774267832 /nfs/dbraw/zinc/26/78/32/774267832.db2.gz SUQUDBIHVOCAHF-NSHDSACASA-N 1 2 292.329 1.892 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](COCC)C(C)C ZINC000789865703 774307138 /nfs/dbraw/zinc/30/71/38/774307138.db2.gz ARCOUIXULXMMGP-KBPBESRZSA-N 1 2 266.385 1.261 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](COCC)C(C)C ZINC000789865703 774307148 /nfs/dbraw/zinc/30/71/48/774307148.db2.gz ARCOUIXULXMMGP-KBPBESRZSA-N 1 2 266.385 1.261 20 30 CDEDLO CC[N@H+](C)[C@@H](C(=O)O[C@H](C#N)COC)c1ccccc1 ZINC000785337090 774332674 /nfs/dbraw/zinc/33/26/74/774332674.db2.gz LTXODWNJKAMPDH-ZIAGYGMSSA-N 1 2 276.336 1.761 20 30 CDEDLO CC[N@@H+](C)[C@@H](C(=O)O[C@H](C#N)COC)c1ccccc1 ZINC000785337090 774332682 /nfs/dbraw/zinc/33/26/82/774332682.db2.gz LTXODWNJKAMPDH-ZIAGYGMSSA-N 1 2 276.336 1.761 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000836955696 774360899 /nfs/dbraw/zinc/36/08/99/774360899.db2.gz RUWYEQJPTMKATB-XQQFMLRXSA-N 1 2 272.352 1.103 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000836955696 774360906 /nfs/dbraw/zinc/36/09/06/774360906.db2.gz RUWYEQJPTMKATB-XQQFMLRXSA-N 1 2 272.352 1.103 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C)cs2)C1 ZINC000923556023 774366528 /nfs/dbraw/zinc/36/65/28/774366528.db2.gz BEWRXRMWPVYZJX-GFCCVEGCSA-N 1 2 262.378 1.884 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)cs2)C1 ZINC000923556023 774366537 /nfs/dbraw/zinc/36/65/37/774366537.db2.gz BEWRXRMWPVYZJX-GFCCVEGCSA-N 1 2 262.378 1.884 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc(F)c1 ZINC001038099542 774368724 /nfs/dbraw/zinc/36/87/24/774368724.db2.gz KYNCNOJGYCASCL-GFCCVEGCSA-N 1 2 261.300 1.048 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(F)c1 ZINC001038099542 774368731 /nfs/dbraw/zinc/36/87/31/774368731.db2.gz KYNCNOJGYCASCL-GFCCVEGCSA-N 1 2 261.300 1.048 20 30 CDEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+]2C[C@@H](F)CC)nn1 ZINC001038792893 774489468 /nfs/dbraw/zinc/48/94/68/774489468.db2.gz ZDMOQVPICYJZHG-RYUDHWBXSA-N 1 2 295.362 1.016 20 30 CDEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+]2C[C@@H](F)CC)nn1 ZINC001038792893 774489471 /nfs/dbraw/zinc/48/94/71/774489471.db2.gz ZDMOQVPICYJZHG-RYUDHWBXSA-N 1 2 295.362 1.016 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2nnnn2-c2ccccc2)CC1 ZINC000886755926 774494678 /nfs/dbraw/zinc/49/46/78/774494678.db2.gz WOFMQQSTIMZKSH-UHFFFAOYSA-N 1 2 299.378 1.565 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnccc1C ZINC001032329989 774501040 /nfs/dbraw/zinc/50/10/40/774501040.db2.gz WXNBWDHWUGRGCG-KBPBESRZSA-N 1 2 269.348 1.312 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnccc1C ZINC001032329989 774501048 /nfs/dbraw/zinc/50/10/48/774501048.db2.gz WXNBWDHWUGRGCG-KBPBESRZSA-N 1 2 269.348 1.312 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccnn1 ZINC001024727796 774509889 /nfs/dbraw/zinc/50/98/89/774509889.db2.gz NRKWZAFVCGSNNJ-LBPRGKRZSA-N 1 2 294.786 1.813 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccnn1 ZINC001024727796 774509901 /nfs/dbraw/zinc/50/99/01/774509901.db2.gz NRKWZAFVCGSNNJ-LBPRGKRZSA-N 1 2 294.786 1.813 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1C(C)C ZINC001032579742 774516214 /nfs/dbraw/zinc/51/62/14/774516214.db2.gz LIMSKGMIQGFWMP-STQMWFEESA-N 1 2 271.364 1.670 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1C(C)C ZINC001032579742 774516226 /nfs/dbraw/zinc/51/62/26/774516226.db2.gz LIMSKGMIQGFWMP-STQMWFEESA-N 1 2 271.364 1.670 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1nc(CC)cc(=O)[nH]1)[C@H]1CCCO1 ZINC000775791948 774546859 /nfs/dbraw/zinc/54/68/59/774546859.db2.gz XQIVYEILXPLANA-VXGBXAGGSA-N 1 2 261.325 1.015 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2cccnc21 ZINC001038625118 774555126 /nfs/dbraw/zinc/55/51/26/774555126.db2.gz RBVUIGRAGXOLMT-HUUCEWRRSA-N 1 2 283.375 1.325 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2cccnc21 ZINC001038625118 774555139 /nfs/dbraw/zinc/55/51/39/774555139.db2.gz RBVUIGRAGXOLMT-HUUCEWRRSA-N 1 2 283.375 1.325 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2NC(=O)c3ccccc32)C1 ZINC001031128863 774814363 /nfs/dbraw/zinc/81/43/63/774814363.db2.gz IYIOUCNGMCQVNO-OAHLLOKOSA-N 1 2 299.374 1.238 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ncccn2)C1 ZINC001034453114 774827462 /nfs/dbraw/zinc/82/74/62/774827462.db2.gz LDVAAFKDEFJCKC-GFCCVEGCSA-N 1 2 294.786 1.813 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ncccn2)C1 ZINC001034453114 774827466 /nfs/dbraw/zinc/82/74/66/774827466.db2.gz LDVAAFKDEFJCKC-GFCCVEGCSA-N 1 2 294.786 1.813 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC23CC3)C1 ZINC001035414715 774853810 /nfs/dbraw/zinc/85/38/10/774853810.db2.gz JEFLTEJMYPNNOE-KBPBESRZSA-N 1 2 278.396 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC23CC3)C1 ZINC001035414715 774853812 /nfs/dbraw/zinc/85/38/12/774853812.db2.gz JEFLTEJMYPNNOE-KBPBESRZSA-N 1 2 278.396 1.570 20 30 CDEDLO C[C@@H]1C[N@H+](CCOC(=O)CCCCCC#N)CCO1 ZINC000805697061 774857986 /nfs/dbraw/zinc/85/79/86/774857986.db2.gz PGNNSMRPOMQXCH-CYBMUJFWSA-N 1 2 268.357 1.724 20 30 CDEDLO C[C@@H]1C[N@@H+](CCOC(=O)CCCCCC#N)CCO1 ZINC000805697061 774857987 /nfs/dbraw/zinc/85/79/87/774857987.db2.gz PGNNSMRPOMQXCH-CYBMUJFWSA-N 1 2 268.357 1.724 20 30 CDEDLO COc1cccc([C@@H]2CN(C(=O)CC#N)CC[NH2+]2)c1 ZINC000870153932 774866068 /nfs/dbraw/zinc/86/60/68/774866068.db2.gz ZCECZDYKNNKVPI-ZDUSSCGKSA-N 1 2 259.309 1.082 20 30 CDEDLO Nc1nc(Cl)cc(N=NCc2c[nH+]c3n2CCC3)n1 ZINC000853328173 774874409 /nfs/dbraw/zinc/87/44/09/774874409.db2.gz BCSYVPLKOJSKDM-UHFFFAOYSA-N 1 2 277.719 1.301 20 30 CDEDLO N#CCN1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001015424405 774929720 /nfs/dbraw/zinc/92/97/20/774929720.db2.gz BJCCIWFRRJQGBP-AWEZNQCLSA-N 1 2 295.346 1.200 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCO2)C1 ZINC001032893107 775009123 /nfs/dbraw/zinc/00/91/23/775009123.db2.gz NDGLFASDMCZDFQ-NEPJUHHUSA-N 1 2 272.776 1.451 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCO2)C1 ZINC001032893107 775009132 /nfs/dbraw/zinc/00/91/32/775009132.db2.gz NDGLFASDMCZDFQ-NEPJUHHUSA-N 1 2 272.776 1.451 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC001042737256 775020677 /nfs/dbraw/zinc/02/06/77/775020677.db2.gz ZNBGCAPGESXYAO-GJZGRUSLSA-N 1 2 278.396 1.213 20 30 CDEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000827750230 775022133 /nfs/dbraw/zinc/02/21/33/775022133.db2.gz BOBABOJGZPIKRL-ZDUSSCGKSA-N 1 2 298.346 1.950 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001015720511 775025847 /nfs/dbraw/zinc/02/58/47/775025847.db2.gz CIBZHBDFNYYCGG-XQQFMLRXSA-N 1 2 284.787 1.521 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001015720511 775025855 /nfs/dbraw/zinc/02/58/55/775025855.db2.gz CIBZHBDFNYYCGG-XQQFMLRXSA-N 1 2 284.787 1.521 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000884307163 775060193 /nfs/dbraw/zinc/06/01/93/775060193.db2.gz AMPGLLHFJOONBB-AGIUHOORSA-N 1 2 282.384 1.470 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001008597980 775286939 /nfs/dbraw/zinc/28/69/39/775286939.db2.gz LTGLXWMPKWKZFH-DGAVXFQQSA-N 1 2 298.814 1.887 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001008597980 775286973 /nfs/dbraw/zinc/28/69/73/775286973.db2.gz LTGLXWMPKWKZFH-DGAVXFQQSA-N 1 2 298.814 1.887 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccncc1C ZINC001038230500 775378393 /nfs/dbraw/zinc/37/83/93/775378393.db2.gz BSAGKAKWUTVQGU-CYBMUJFWSA-N 1 2 257.337 1.217 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccncc1C ZINC001038230500 775378408 /nfs/dbraw/zinc/37/84/08/775378408.db2.gz BSAGKAKWUTVQGU-CYBMUJFWSA-N 1 2 257.337 1.217 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1C(C)(C)C ZINC001038901873 775407166 /nfs/dbraw/zinc/40/71/66/775407166.db2.gz AQSNAQNUHFBZCA-GFCCVEGCSA-N 1 2 288.395 1.535 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1C(C)(C)C ZINC001038901873 775407178 /nfs/dbraw/zinc/40/71/78/775407178.db2.gz AQSNAQNUHFBZCA-GFCCVEGCSA-N 1 2 288.395 1.535 20 30 CDEDLO Cc1noc(C)c1C[N@@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000072514053 775410198 /nfs/dbraw/zinc/41/01/98/775410198.db2.gz DRBHWQQTWAJVON-LLVKDONJSA-N 1 2 278.356 1.484 20 30 CDEDLO Cc1noc(C)c1C[N@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000072514053 775410203 /nfs/dbraw/zinc/41/02/03/775410203.db2.gz DRBHWQQTWAJVON-LLVKDONJSA-N 1 2 278.356 1.484 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001038263979 775507762 /nfs/dbraw/zinc/50/77/62/775507762.db2.gz UDEXBELDLXJXOO-QWHCGFSZSA-N 1 2 286.379 1.043 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1Cc2c(cccc2C)O1 ZINC001038921596 775539513 /nfs/dbraw/zinc/53/95/13/775539513.db2.gz SUEOKAXBLQZBCR-CZUORRHYSA-N 1 2 284.359 1.122 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1Cc2c(cccc2C)O1 ZINC001038921596 775539529 /nfs/dbraw/zinc/53/95/29/775539529.db2.gz SUEOKAXBLQZBCR-CZUORRHYSA-N 1 2 284.359 1.122 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC=CCC1)O2 ZINC001053572969 775586884 /nfs/dbraw/zinc/58/68/84/775586884.db2.gz YGSDINKENVYCRL-LSDHHAIUSA-N 1 2 290.407 1.878 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ocnc1CC ZINC001038680167 775595438 /nfs/dbraw/zinc/59/54/38/775595438.db2.gz KUGJRWFVNZXHOU-NSHDSACASA-N 1 2 261.325 1.064 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ocnc1CC ZINC001038680167 775595451 /nfs/dbraw/zinc/59/54/51/775595451.db2.gz KUGJRWFVNZXHOU-NSHDSACASA-N 1 2 261.325 1.064 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc[nH]3)C[C@@H]21 ZINC001074160578 775611692 /nfs/dbraw/zinc/61/16/92/775611692.db2.gz UOFKOZONDZYGFO-GJZGRUSLSA-N 1 2 289.379 1.506 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc[nH]3)C[C@@H]21 ZINC001074160578 775611700 /nfs/dbraw/zinc/61/17/00/775611700.db2.gz UOFKOZONDZYGFO-GJZGRUSLSA-N 1 2 289.379 1.506 20 30 CDEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3(C)CC3)C2)CC1 ZINC001052031857 775662230 /nfs/dbraw/zinc/66/22/30/775662230.db2.gz ZCVZHELHILNQSP-OAHLLOKOSA-N 1 2 289.423 1.028 20 30 CDEDLO Cn1c[nH+]cc1CCOC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000837572339 775671512 /nfs/dbraw/zinc/67/15/12/775671512.db2.gz MAOUCJUIEFNLBU-UHFFFAOYSA-N 1 2 298.298 1.286 20 30 CDEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCO[C@H](C(F)F)C2)CCC1 ZINC000886190525 775676556 /nfs/dbraw/zinc/67/65/56/775676556.db2.gz UUJDOVVSXSSXLZ-MNOVXSKESA-N 1 2 274.311 1.397 20 30 CDEDLO N#CC1(C[C@@H](O)C[N@H+]2CCO[C@H](C(F)F)C2)CCC1 ZINC000886190525 775676561 /nfs/dbraw/zinc/67/65/61/775676561.db2.gz UUJDOVVSXSSXLZ-MNOVXSKESA-N 1 2 274.311 1.397 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC001031357072 775713540 /nfs/dbraw/zinc/71/35/40/775713540.db2.gz BDZXJOHTYOKFJB-UHFFFAOYSA-N 1 2 270.376 1.670 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccoc1)CO2 ZINC001053784115 775748953 /nfs/dbraw/zinc/74/89/53/775748953.db2.gz GZXMGROSXACDNK-AWEZNQCLSA-N 1 2 290.363 1.358 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccc(OC)c2)C1 ZINC001044224530 775818104 /nfs/dbraw/zinc/81/81/04/775818104.db2.gz SVSSGMGBXLSEQO-UHFFFAOYSA-N 1 2 272.348 1.475 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C)[C@H]1CCC ZINC000884160993 775838762 /nfs/dbraw/zinc/83/87/62/775838762.db2.gz TZRHZFDROZXEAC-HZSPNIEDSA-N 1 2 296.411 1.860 20 30 CDEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886690548 775880909 /nfs/dbraw/zinc/88/09/09/775880909.db2.gz XSDVDHZPOQMKCC-STQMWFEESA-N 1 2 275.352 1.774 20 30 CDEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886690548 775880910 /nfs/dbraw/zinc/88/09/10/775880910.db2.gz XSDVDHZPOQMKCC-STQMWFEESA-N 1 2 275.352 1.774 20 30 CDEDLO CCOC(=O)c1cccc(C[NH+]2CCC(C#N)CC2)n1 ZINC000862236918 776019903 /nfs/dbraw/zinc/01/99/03/776019903.db2.gz RMUHKIPNIVHJLT-UHFFFAOYSA-N 1 2 273.336 1.994 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCN(C)C(=O)C2(C)C)cc1 ZINC000093642679 776045218 /nfs/dbraw/zinc/04/52/18/776045218.db2.gz FIECVZVGPHTMKO-UHFFFAOYSA-N 1 2 286.375 1.751 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCN(C)C(=O)C2(C)C)cc1 ZINC000093642679 776045232 /nfs/dbraw/zinc/04/52/32/776045232.db2.gz FIECVZVGPHTMKO-UHFFFAOYSA-N 1 2 286.375 1.751 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1[nH]cnc1C(C)(C)C ZINC001038264329 776060426 /nfs/dbraw/zinc/06/04/26/776060426.db2.gz ATOLZVCOLIIDTP-LLVKDONJSA-N 1 2 274.368 1.145 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1[nH]cnc1C(C)(C)C ZINC001038264329 776060434 /nfs/dbraw/zinc/06/04/34/776060434.db2.gz ATOLZVCOLIIDTP-LLVKDONJSA-N 1 2 274.368 1.145 20 30 CDEDLO C=C(CC)CNC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000836031300 776075188 /nfs/dbraw/zinc/07/51/88/776075188.db2.gz UGDQMIGOILMSCX-UHFFFAOYSA-N 1 2 290.367 1.477 20 30 CDEDLO COc1cccc(N[NH+]=Cc2c(C)nn(C)c2N)c1 ZINC000814778737 776084255 /nfs/dbraw/zinc/08/42/55/776084255.db2.gz TXMKODFLQFVANB-UHFFFAOYSA-N 1 2 259.313 1.765 20 30 CDEDLO CSCc1n[nH]c(C[NH2+][C@H]2CC[C@@H](C#N)C2)n1 ZINC000886757889 776148607 /nfs/dbraw/zinc/14/86/07/776148607.db2.gz ULDHVEOVLVRYMY-BDAKNGLRSA-N 1 2 251.359 1.450 20 30 CDEDLO CSCc1nnc(C[NH2+][C@H]2CC[C@@H](C#N)C2)[nH]1 ZINC000886757889 776148615 /nfs/dbraw/zinc/14/86/15/776148615.db2.gz ULDHVEOVLVRYMY-BDAKNGLRSA-N 1 2 251.359 1.450 20 30 CDEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C#CC(C)(C)C)C[C@H](C)O1 ZINC000837584184 776108925 /nfs/dbraw/zinc/10/89/25/776108925.db2.gz CSCQVIJASISLPS-OKILXGFUSA-N 1 2 280.412 1.604 20 30 CDEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)C#CC(C)(C)C)C[C@H](C)O1 ZINC000837584184 776108929 /nfs/dbraw/zinc/10/89/29/776108929.db2.gz CSCQVIJASISLPS-OKILXGFUSA-N 1 2 280.412 1.604 20 30 CDEDLO Cc1ccc(N2CC[NH+](Cc3cnn(C)c3)CC2)c(C#N)n1 ZINC000881948078 776138237 /nfs/dbraw/zinc/13/82/37/776138237.db2.gz JJFMESIPSQOMFH-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1CCC ZINC001032615254 776172707 /nfs/dbraw/zinc/17/27/07/776172707.db2.gz PKNAMDWUAULOMK-CBBWQLFWSA-N 1 2 260.381 1.731 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1CCC ZINC001032615254 776172716 /nfs/dbraw/zinc/17/27/16/776172716.db2.gz PKNAMDWUAULOMK-CBBWQLFWSA-N 1 2 260.381 1.731 20 30 CDEDLO C[C@H](C#N)OC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000811327260 776244638 /nfs/dbraw/zinc/24/46/38/776244638.db2.gz OXTFEOGFZGMUQB-GFCCVEGCSA-N 1 2 269.304 1.929 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(CC)n[nH]2)C1 ZINC001010286274 776278217 /nfs/dbraw/zinc/27/82/17/776278217.db2.gz MKONCKNQWOICKM-NSHDSACASA-N 1 2 282.775 1.529 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(CC)n[nH]2)C1 ZINC001010286274 776278230 /nfs/dbraw/zinc/27/82/30/776278230.db2.gz MKONCKNQWOICKM-NSHDSACASA-N 1 2 282.775 1.529 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccoc1C(C)C ZINC001039062492 776309564 /nfs/dbraw/zinc/30/95/64/776309564.db2.gz XVLMIDSYTRUSEH-GFCCVEGCSA-N 1 2 260.337 1.840 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccoc1C(C)C ZINC001039062492 776309571 /nfs/dbraw/zinc/30/95/71/776309571.db2.gz XVLMIDSYTRUSEH-GFCCVEGCSA-N 1 2 260.337 1.840 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@H]([NH2+]Cc2csnn2)[C@@H](C)C1 ZINC001054975548 776340860 /nfs/dbraw/zinc/34/08/60/776340860.db2.gz DMTVPSZOJXIHAW-JQWIXIFHSA-N 1 2 294.424 1.687 20 30 CDEDLO C#Cc1cncc(C(=O)NC2C[NH+](Cc3ccccc3)C2)c1 ZINC001030928294 776344894 /nfs/dbraw/zinc/34/48/94/776344894.db2.gz MLYYGQCXTVRRTN-UHFFFAOYSA-N 1 2 291.354 1.677 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)n(C(C)C)n1 ZINC001039085844 776387172 /nfs/dbraw/zinc/38/71/72/776387172.db2.gz HWZSVUWJILGPPK-CQSZACIVSA-N 1 2 288.395 1.600 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)n(C(C)C)n1 ZINC001039085844 776387180 /nfs/dbraw/zinc/38/71/80/776387180.db2.gz HWZSVUWJILGPPK-CQSZACIVSA-N 1 2 288.395 1.600 20 30 CDEDLO C#CCC1(NC(=O)[C@@H](CC)[N@@H+]2CCO[C@@H](CC)C2)CCC1 ZINC000886798235 776396004 /nfs/dbraw/zinc/39/60/04/776396004.db2.gz SWEOZYUTROGPPB-LSDHHAIUSA-N 1 2 292.423 1.938 20 30 CDEDLO C#CCC1(NC(=O)[C@@H](CC)[N@H+]2CCO[C@@H](CC)C2)CCC1 ZINC000886798235 776396012 /nfs/dbraw/zinc/39/60/12/776396012.db2.gz SWEOZYUTROGPPB-LSDHHAIUSA-N 1 2 292.423 1.938 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnoc1C1CC1 ZINC001038874826 776562772 /nfs/dbraw/zinc/56/27/72/776562772.db2.gz CNGGJFRTIIISRE-GFCCVEGCSA-N 1 2 273.336 1.379 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnoc1C1CC1 ZINC001038874826 776562789 /nfs/dbraw/zinc/56/27/89/776562789.db2.gz CNGGJFRTIIISRE-GFCCVEGCSA-N 1 2 273.336 1.379 20 30 CDEDLO Nc1ncc(C=[NH+]Nc2ccnc3ccccc32)cn1 ZINC000781592683 776651336 /nfs/dbraw/zinc/65/13/36/776651336.db2.gz HKASEADHYBNQGL-UHFFFAOYSA-N 1 2 264.292 1.475 20 30 CDEDLO Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1C#N ZINC000799560999 776816870 /nfs/dbraw/zinc/81/68/70/776816870.db2.gz RRRPNKIHZKGFSL-ZDUSSCGKSA-N 1 2 287.363 1.317 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccoc1C)CO2 ZINC001053732992 776830920 /nfs/dbraw/zinc/83/09/20/776830920.db2.gz KIMKLRJBIWMBCF-ZDUSSCGKSA-N 1 2 290.363 1.737 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ncc[nH]3)cc2C1 ZINC001054264557 776931489 /nfs/dbraw/zinc/93/14/89/776931489.db2.gz KFWDVSQPEWMRQD-UHFFFAOYSA-N 1 2 280.331 1.289 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ncc[nH]3)cc2C1 ZINC001054264557 776931505 /nfs/dbraw/zinc/93/15/05/776931505.db2.gz KFWDVSQPEWMRQD-UHFFFAOYSA-N 1 2 280.331 1.289 20 30 CDEDLO C#CC1CCN(C(=O)Nc2cc(C)[nH+]cc2C)CC1 ZINC000831593337 776981317 /nfs/dbraw/zinc/98/13/17/776981317.db2.gz KSULZHALLAWPST-UHFFFAOYSA-N 1 2 257.337 1.997 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)c2ccccc2C)nn1 ZINC000881415206 777004444 /nfs/dbraw/zinc/00/44/44/777004444.db2.gz RSSKILSAWXWXFN-MRXNPFEDSA-N 1 2 284.363 1.433 20 30 CDEDLO C#CC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000844047863 777044742 /nfs/dbraw/zinc/04/47/42/777044742.db2.gz WZXZLEDTUYBTKI-CYBMUJFWSA-N 1 2 257.337 1.317 20 30 CDEDLO C=C[C@H](CC)CC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000828517329 777092181 /nfs/dbraw/zinc/09/21/81/777092181.db2.gz GSAZBZCAKCRHIH-OAHLLOKOSA-N 1 2 293.455 1.827 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001044017428 777117771 /nfs/dbraw/zinc/11/77/71/777117771.db2.gz VEAWDZKWLBMYHI-CYBMUJFWSA-N 1 2 274.364 1.857 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)C1CCCC1 ZINC000884080511 777119798 /nfs/dbraw/zinc/11/97/98/777119798.db2.gz YHNKIOPYCXHHEZ-LBPRGKRZSA-N 1 2 268.357 1.224 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)onc1CC ZINC001039006107 777163514 /nfs/dbraw/zinc/16/35/14/777163514.db2.gz KMAKAJJVMFKIBW-LBPRGKRZSA-N 1 2 275.352 1.373 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)onc1CC ZINC001039006107 777163523 /nfs/dbraw/zinc/16/35/23/777163523.db2.gz KMAKAJJVMFKIBW-LBPRGKRZSA-N 1 2 275.352 1.373 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001015789424 777186350 /nfs/dbraw/zinc/18/63/50/777186350.db2.gz XVUSBKQMQLFHIK-SNVBAGLBSA-N 1 2 268.769 1.839 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001015789424 777186359 /nfs/dbraw/zinc/18/63/59/777186359.db2.gz XVUSBKQMQLFHIK-SNVBAGLBSA-N 1 2 268.769 1.839 20 30 CDEDLO C[C@@H](O)CN[NH+]=Cc1cc(F)c(N(C)C)cc1F ZINC000863117562 777207978 /nfs/dbraw/zinc/20/79/78/777207978.db2.gz XANOQLGRCVUYBX-MRVPVSSYSA-N 1 2 257.284 1.335 20 30 CDEDLO Cc1ccn(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c(=O)c1C#N ZINC000789509770 777236248 /nfs/dbraw/zinc/23/62/48/777236248.db2.gz VPSCCFPLAGAHQO-HUUCEWRRSA-N 1 2 287.363 1.629 20 30 CDEDLO Cc1ccn(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c(=O)c1C#N ZINC000789509770 777236254 /nfs/dbraw/zinc/23/62/54/777236254.db2.gz VPSCCFPLAGAHQO-HUUCEWRRSA-N 1 2 287.363 1.629 20 30 CDEDLO C=CCCCC(=O)O[C@H](COC)C[N@@H+]1CCO[C@H](C)C1 ZINC000842972597 777243011 /nfs/dbraw/zinc/24/30/11/777243011.db2.gz ZKGZBOMOCWQITL-KGLIPLIRSA-N 1 2 285.384 1.622 20 30 CDEDLO C=CCCCC(=O)O[C@H](COC)C[N@H+]1CCO[C@H](C)C1 ZINC000842972597 777243020 /nfs/dbraw/zinc/24/30/20/777243020.db2.gz ZKGZBOMOCWQITL-KGLIPLIRSA-N 1 2 285.384 1.622 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCCO[C@H]2C(=C)C)C1 ZINC001044026104 777396334 /nfs/dbraw/zinc/39/63/34/777396334.db2.gz PRWPXVKCIRKTTP-GJZGRUSLSA-N 1 2 278.396 1.686 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(OC)c1 ZINC001038958340 777412017 /nfs/dbraw/zinc/41/20/17/777412017.db2.gz YJMADGYKJURJFT-CYBMUJFWSA-N 1 2 258.321 1.133 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(OC)c1 ZINC001038958340 777412075 /nfs/dbraw/zinc/41/20/75/777412075.db2.gz YJMADGYKJURJFT-CYBMUJFWSA-N 1 2 258.321 1.133 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C)s1 ZINC001039346749 777465129 /nfs/dbraw/zinc/46/51/29/777465129.db2.gz QGSIWEQPGZOAQO-OLZOCXBDSA-N 1 2 289.404 1.764 20 30 CDEDLO C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C)s1 ZINC001039346749 777465134 /nfs/dbraw/zinc/46/51/34/777465134.db2.gz QGSIWEQPGZOAQO-OLZOCXBDSA-N 1 2 289.404 1.764 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC(C)(C)C1 ZINC001032386720 777544794 /nfs/dbraw/zinc/54/47/94/777544794.db2.gz QBOQCHYXGAJUCI-KBPBESRZSA-N 1 2 260.381 1.731 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC(C)(C)C1 ZINC001032386720 777544801 /nfs/dbraw/zinc/54/48/01/777544801.db2.gz QBOQCHYXGAJUCI-KBPBESRZSA-N 1 2 260.381 1.731 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2csc(CC)n2)C1 ZINC001031432725 777547952 /nfs/dbraw/zinc/54/79/52/777547952.db2.gz VJOYVJPURIINBH-UHFFFAOYSA-N 1 2 277.393 1.072 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)c1ccc(C)cc1 ZINC000884068724 777723121 /nfs/dbraw/zinc/72/31/21/777723121.db2.gz CILMZHJAUGFDQL-AWEZNQCLSA-N 1 2 290.363 1.795 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CC)C[C@H]21 ZINC001074119861 777755850 /nfs/dbraw/zinc/75/58/50/777755850.db2.gz WBMLRFIKJSKCOM-CHWSQXEVSA-N 1 2 252.358 1.274 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CC)C[C@H]21 ZINC001074119861 777755862 /nfs/dbraw/zinc/75/58/62/777755862.db2.gz WBMLRFIKJSKCOM-CHWSQXEVSA-N 1 2 252.358 1.274 20 30 CDEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCCc2ccc(C#N)cc2)C1 ZINC000849735193 777758562 /nfs/dbraw/zinc/75/85/62/777758562.db2.gz ROOBUQPDUZWPTC-OAHLLOKOSA-N 1 2 288.347 1.365 20 30 CDEDLO CC[N@H+]1CCO[C@@H](C(=O)OCCc2ccc(C#N)cc2)C1 ZINC000849735193 777758571 /nfs/dbraw/zinc/75/85/71/777758571.db2.gz ROOBUQPDUZWPTC-OAHLLOKOSA-N 1 2 288.347 1.365 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C(=O)OC)[C@H](C)CC)C1=O ZINC000930311094 777766036 /nfs/dbraw/zinc/76/60/36/777766036.db2.gz YXXDOMIRXNEIKZ-FRRDWIJNSA-N 1 2 282.384 1.293 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C(=O)OC)[C@H](C)CC)C1=O ZINC000930311094 777766046 /nfs/dbraw/zinc/76/60/46/777766046.db2.gz YXXDOMIRXNEIKZ-FRRDWIJNSA-N 1 2 282.384 1.293 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2sccc2[nH]1 ZINC001038884808 777792352 /nfs/dbraw/zinc/79/23/52/777792352.db2.gz LCKMKRRGEIKCMT-SNVBAGLBSA-N 1 2 273.361 1.667 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2sccc2[nH]1 ZINC001038884808 777792369 /nfs/dbraw/zinc/79/23/69/777792369.db2.gz LCKMKRRGEIKCMT-SNVBAGLBSA-N 1 2 273.361 1.667 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCNC(=O)[C@H]1CC ZINC000933223328 777795083 /nfs/dbraw/zinc/79/50/83/777795083.db2.gz BWIZEXIOBXCHIT-CYBMUJFWSA-N 1 2 281.400 1.012 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCNC(=O)[C@H]1CC ZINC000933223328 777795101 /nfs/dbraw/zinc/79/51/01/777795101.db2.gz BWIZEXIOBXCHIT-CYBMUJFWSA-N 1 2 281.400 1.012 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccsn2)C1 ZINC001035409022 777801500 /nfs/dbraw/zinc/80/15/00/777801500.db2.gz LTCWFSIXYSFQAM-LLVKDONJSA-N 1 2 281.381 1.150 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccsn2)C1 ZINC001035409022 777801503 /nfs/dbraw/zinc/80/15/03/777801503.db2.gz LTCWFSIXYSFQAM-LLVKDONJSA-N 1 2 281.381 1.150 20 30 CDEDLO C#CCCN1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000778221246 777801606 /nfs/dbraw/zinc/80/16/06/777801606.db2.gz BBLIZFCQYVXVNI-UHFFFAOYSA-N 1 2 270.376 1.858 20 30 CDEDLO C#CCC(C)(C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000185484327 777825570 /nfs/dbraw/zinc/82/55/70/777825570.db2.gz JLIOOQTYMDTXAY-OLZOCXBDSA-N 1 2 266.385 1.261 20 30 CDEDLO COc1ccc(C[NH2+][C@H](C)c2nncn2C)cc1C#N ZINC000087823545 777954815 /nfs/dbraw/zinc/95/48/15/777954815.db2.gz MTBVVVKUPWMUOT-SNVBAGLBSA-N 1 2 271.324 1.546 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)c(C)o1 ZINC001032357614 778027692 /nfs/dbraw/zinc/02/76/92/778027692.db2.gz XUZXXJIYBPLBQU-STQMWFEESA-N 1 2 260.337 1.981 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)c(C)o1 ZINC001032357614 778027702 /nfs/dbraw/zinc/02/77/02/778027702.db2.gz XUZXXJIYBPLBQU-STQMWFEESA-N 1 2 260.337 1.981 20 30 CDEDLO CC[C@@H](C#N)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000846018427 778063606 /nfs/dbraw/zinc/06/36/06/778063606.db2.gz MKEZUOZJMVGDDY-RYUDHWBXSA-N 1 2 260.341 1.676 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccn(C)c1)CO2 ZINC001053775944 778069804 /nfs/dbraw/zinc/06/98/04/778069804.db2.gz KVBAKFSHNUHJIH-AWEZNQCLSA-N 1 2 289.379 1.174 20 30 CDEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(C)=O)C1 ZINC000970916671 778107420 /nfs/dbraw/zinc/10/74/20/778107420.db2.gz SXNMGRYABMXYEY-SNVBAGLBSA-N 1 2 261.163 1.448 20 30 CDEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(C)=O)C1 ZINC000970916671 778107439 /nfs/dbraw/zinc/10/74/39/778107439.db2.gz SXNMGRYABMXYEY-SNVBAGLBSA-N 1 2 261.163 1.448 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC001038877707 778228097 /nfs/dbraw/zinc/22/80/97/778228097.db2.gz ITKGCTQSLUJZII-HNNXBMFYSA-N 1 2 294.358 1.514 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC001038877707 778228106 /nfs/dbraw/zinc/22/81/06/778228106.db2.gz ITKGCTQSLUJZII-HNNXBMFYSA-N 1 2 294.358 1.514 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCc2ncnn2CCF)cc1 ZINC000853655462 778315090 /nfs/dbraw/zinc/31/50/90/778315090.db2.gz WUHOKCMUEUUFSO-UHFFFAOYSA-N 1 2 293.302 1.093 20 30 CDEDLO C=CCOCCCC(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000181599147 778331265 /nfs/dbraw/zinc/33/12/65/778331265.db2.gz ZKCZFAGNNZHBPL-ZDUSSCGKSA-N 1 2 271.357 1.233 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001050812370 778340290 /nfs/dbraw/zinc/34/02/90/778340290.db2.gz JBRSSWRMOSUSQW-HUUCEWRRSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001050812370 778340298 /nfs/dbraw/zinc/34/02/98/778340298.db2.gz JBRSSWRMOSUSQW-HUUCEWRRSA-N 1 2 278.396 1.736 20 30 CDEDLO N#CC[C@]1(O)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000823527557 778387884 /nfs/dbraw/zinc/38/78/84/778387884.db2.gz GFSLBJWNQLDUJV-AWEZNQCLSA-N 1 2 270.292 1.054 20 30 CDEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(F)F)C[C@H]21 ZINC001074134261 778397943 /nfs/dbraw/zinc/39/79/43/778397943.db2.gz YNEFYBDKAVEKOT-NEPJUHHUSA-N 1 2 288.338 1.519 20 30 CDEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(F)F)C[C@H]21 ZINC001074134261 778397949 /nfs/dbraw/zinc/39/79/49/778397949.db2.gz YNEFYBDKAVEKOT-NEPJUHHUSA-N 1 2 288.338 1.519 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1CC ZINC001038647674 778471629 /nfs/dbraw/zinc/47/16/29/778471629.db2.gz XWAMYLAJSWYBHP-CQSZACIVSA-N 1 2 256.349 1.686 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1CC ZINC001038647674 778471650 /nfs/dbraw/zinc/47/16/50/778471650.db2.gz XWAMYLAJSWYBHP-CQSZACIVSA-N 1 2 256.349 1.686 20 30 CDEDLO C=CC[N@@H+](Cn1cc(C(=O)OCC)c(C)n1)[C@H](C)COC ZINC000853532520 778518836 /nfs/dbraw/zinc/51/88/36/778518836.db2.gz GDZKKDIOGKSUOT-GFCCVEGCSA-N 1 2 295.383 1.849 20 30 CDEDLO C=CC[N@H+](Cn1cc(C(=O)OCC)c(C)n1)[C@H](C)COC ZINC000853532520 778518850 /nfs/dbraw/zinc/51/88/50/778518850.db2.gz GDZKKDIOGKSUOT-GFCCVEGCSA-N 1 2 295.383 1.849 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC001030761564 778583295 /nfs/dbraw/zinc/58/32/95/778583295.db2.gz XHMOIMISSUWJDH-UHFFFAOYSA-N 1 2 275.352 1.394 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)noc1CC ZINC001032776373 778648925 /nfs/dbraw/zinc/64/89/25/778648925.db2.gz DXNKREUDRAFTHF-RYUDHWBXSA-N 1 2 275.352 1.630 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)noc1CC ZINC001032776373 778648932 /nfs/dbraw/zinc/64/89/32/778648932.db2.gz DXNKREUDRAFTHF-RYUDHWBXSA-N 1 2 275.352 1.630 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@](C)(CC)C1 ZINC000884163480 778680290 /nfs/dbraw/zinc/68/02/90/778680290.db2.gz HXEJVMPMFSUJIQ-SMDDNHRTSA-N 1 2 268.357 1.082 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@H+]2C/C=C/Cl)c1 ZINC001038147217 778700804 /nfs/dbraw/zinc/70/08/04/778700804.db2.gz VJDQGUDEPDJRPV-VEPLAOFISA-N 1 2 278.743 1.443 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@@H+]2C/C=C/Cl)c1 ZINC001038147217 778700834 /nfs/dbraw/zinc/70/08/34/778700834.db2.gz VJDQGUDEPDJRPV-VEPLAOFISA-N 1 2 278.743 1.443 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cc2ccc3c(c2)CCO3)C1 ZINC001043498917 778715407 /nfs/dbraw/zinc/71/54/07/778715407.db2.gz VINPUOWMDHBQQZ-UHFFFAOYSA-N 1 2 286.375 1.493 20 30 CDEDLO C[N@H+](Cc1cccc(C#N)n1)[C@H]1CCCCNC1=O ZINC000876653603 778715806 /nfs/dbraw/zinc/71/58/06/778715806.db2.gz QAPLIVYUQWZNJO-ZDUSSCGKSA-N 1 2 258.325 1.054 20 30 CDEDLO C[N@@H+](Cc1cccc(C#N)n1)[C@H]1CCCCNC1=O ZINC000876653603 778715820 /nfs/dbraw/zinc/71/58/20/778715820.db2.gz QAPLIVYUQWZNJO-ZDUSSCGKSA-N 1 2 258.325 1.054 20 30 CDEDLO COC(=O)c1ccc(CO[NH+]=C(N)Cc2cccnc2)cc1 ZINC000092917057 778763669 /nfs/dbraw/zinc/76/36/69/778763669.db2.gz AUTISEFGTNRCPE-UHFFFAOYSA-N 1 2 299.330 1.900 20 30 CDEDLO Cc1nc(NCC[C@@H]2CCN(C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001066318452 778829745 /nfs/dbraw/zinc/82/97/45/778829745.db2.gz ZWDBXIZVZMJASY-OAHLLOKOSA-N 1 2 298.390 1.849 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000800362841 778837039 /nfs/dbraw/zinc/83/70/39/778837039.db2.gz UWSGRCUCPQWDEQ-LBPRGKRZSA-N 1 2 269.341 1.189 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)[nH]nc1Cl ZINC001038336335 778838235 /nfs/dbraw/zinc/83/82/35/778838235.db2.gz SFAJYVORLWSJES-SNVBAGLBSA-N 1 2 280.759 1.199 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)[nH]nc1Cl ZINC001038336335 778838236 /nfs/dbraw/zinc/83/82/36/778838236.db2.gz SFAJYVORLWSJES-SNVBAGLBSA-N 1 2 280.759 1.199 20 30 CDEDLO CN(CCC#N)C(=O)CC[N@H+](CC(F)F)C1CCC1 ZINC000887100832 778845599 /nfs/dbraw/zinc/84/55/99/778845599.db2.gz SRIGNDANZZFPSO-UHFFFAOYSA-N 1 2 273.327 1.868 20 30 CDEDLO CN(CCC#N)C(=O)CC[N@@H+](CC(F)F)C1CCC1 ZINC000887100832 778845603 /nfs/dbraw/zinc/84/56/03/778845603.db2.gz SRIGNDANZZFPSO-UHFFFAOYSA-N 1 2 273.327 1.868 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](Nc2nnc(C(F)F)s2)C1 ZINC000884611422 778847557 /nfs/dbraw/zinc/84/75/57/778847557.db2.gz MDHMUZAOWKVEDI-QMMMGPOBSA-N 1 2 272.324 1.985 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](Nc2nnc(C(F)F)s2)C1 ZINC000884611422 778847561 /nfs/dbraw/zinc/84/75/61/778847561.db2.gz MDHMUZAOWKVEDI-QMMMGPOBSA-N 1 2 272.324 1.985 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2CCO[C@H]2C)CC1 ZINC001001307630 778853740 /nfs/dbraw/zinc/85/37/40/778853740.db2.gz VLDCTDDEJAMNRA-JSGCOSHPSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCO[C@H]2C)CC1 ZINC001001307630 778853747 /nfs/dbraw/zinc/85/37/47/778853747.db2.gz VLDCTDDEJAMNRA-JSGCOSHPSA-N 1 2 298.814 1.912 20 30 CDEDLO C=CC[C@@H]1CCC[N@H+](CN2C(=O)c3nccnc3C2=O)C1 ZINC000853537140 778859324 /nfs/dbraw/zinc/85/93/24/778859324.db2.gz PVNHPSAYXBLQNC-LLVKDONJSA-N 1 2 286.335 1.318 20 30 CDEDLO C=CC[C@@H]1CCC[N@@H+](CN2C(=O)c3nccnc3C2=O)C1 ZINC000853537140 778859325 /nfs/dbraw/zinc/85/93/25/778859325.db2.gz PVNHPSAYXBLQNC-LLVKDONJSA-N 1 2 286.335 1.318 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(F)F ZINC001017903704 778868858 /nfs/dbraw/zinc/86/88/58/778868858.db2.gz ASAJSXFEQXTDIX-PHIMTYICSA-N 1 2 256.296 1.340 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(F)F ZINC001017903704 778868859 /nfs/dbraw/zinc/86/88/59/778868859.db2.gz ASAJSXFEQXTDIX-PHIMTYICSA-N 1 2 256.296 1.340 20 30 CDEDLO C#C[C@H](NC(=O)Nc1cc(C)[nH+]cc1C)[C@@H]1CCCO1 ZINC000775696491 778872595 /nfs/dbraw/zinc/87/25/95/778872595.db2.gz BDZULZDQUNLJJZ-JSGCOSHPSA-N 1 2 273.336 1.423 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCN(C)c3ccccc32)C1 ZINC001030467653 778943483 /nfs/dbraw/zinc/94/34/83/778943483.db2.gz WATBURDSNWRTCK-MRXNPFEDSA-N 1 2 297.402 1.434 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cn[nH]c(=O)c2)C1 ZINC001033166219 778968398 /nfs/dbraw/zinc/96/83/98/778968398.db2.gz SOZXMUOZTSBHQS-NSHDSACASA-N 1 2 296.758 1.081 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cn[nH]c(=O)c2)C1 ZINC001033166219 778968403 /nfs/dbraw/zinc/96/84/03/778968403.db2.gz SOZXMUOZTSBHQS-NSHDSACASA-N 1 2 296.758 1.081 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030333244 779037881 /nfs/dbraw/zinc/03/78/81/779037881.db2.gz BYRKOXFEDDRYGZ-OLZOCXBDSA-N 1 2 270.348 1.128 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cncnc1C ZINC001027764073 779038572 /nfs/dbraw/zinc/03/85/72/779038572.db2.gz QJYWRKULCULVIO-GFCCVEGCSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cncnc1C ZINC001027764073 779038583 /nfs/dbraw/zinc/03/85/83/779038583.db2.gz QJYWRKULCULVIO-GFCCVEGCSA-N 1 2 294.786 1.732 20 30 CDEDLO C#C[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1ccccc1 ZINC000869067179 779099949 /nfs/dbraw/zinc/09/99/49/779099949.db2.gz ZDCKDVMBGMVVGT-CXOKCQFOSA-N 1 2 284.359 1.366 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2ccsc2c1 ZINC001038586470 779102989 /nfs/dbraw/zinc/10/29/89/779102989.db2.gz PNCFCZLTYXVKRP-GFCCVEGCSA-N 1 2 285.372 1.734 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2ccsc2c1 ZINC001038586470 779102996 /nfs/dbraw/zinc/10/29/96/779102996.db2.gz PNCFCZLTYXVKRP-GFCCVEGCSA-N 1 2 285.372 1.734 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2ccccc2C1 ZINC001032649490 779115859 /nfs/dbraw/zinc/11/58/59/779115859.db2.gz NGEKNGUFPBLVKB-BZSNNMDCSA-N 1 2 294.398 1.710 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2ccccc2C1 ZINC001032649490 779115862 /nfs/dbraw/zinc/11/58/62/779115862.db2.gz NGEKNGUFPBLVKB-BZSNNMDCSA-N 1 2 294.398 1.710 20 30 CDEDLO C=C[C@H](C)ONC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000845627949 779123683 /nfs/dbraw/zinc/12/36/83/779123683.db2.gz VGBXUVFIZBAZCZ-WDEREUQCSA-N 1 2 264.329 1.425 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(NC(N)=O)cc2)C1 ZINC001031352929 779128831 /nfs/dbraw/zinc/12/88/31/779128831.db2.gz WUJKEQDHUOHXCQ-UHFFFAOYSA-N 1 2 288.351 1.167 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)OC1CCCC1 ZINC001032658179 779193471 /nfs/dbraw/zinc/19/34/71/779193471.db2.gz CSLVNVMSGZYPPD-OFQRWUPVSA-N 1 2 290.407 1.643 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)OC1CCCC1 ZINC001032658179 779193484 /nfs/dbraw/zinc/19/34/84/779193484.db2.gz CSLVNVMSGZYPPD-OFQRWUPVSA-N 1 2 290.407 1.643 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC ZINC001017334174 779231405 /nfs/dbraw/zinc/23/14/05/779231405.db2.gz XUCCOAUKJDSVGC-TXEJJXNPSA-N 1 2 252.383 1.048 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC ZINC001017334174 779231411 /nfs/dbraw/zinc/23/14/11/779231411.db2.gz XUCCOAUKJDSVGC-TXEJJXNPSA-N 1 2 252.383 1.048 20 30 CDEDLO C=CC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)CC1(C)C ZINC000995851701 779285871 /nfs/dbraw/zinc/28/58/71/779285871.db2.gz YYIJUCDQSHLUHQ-RKDXNWHRSA-N 1 2 282.281 1.899 20 30 CDEDLO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)CC1(C)C ZINC000995851701 779285885 /nfs/dbraw/zinc/28/58/85/779285885.db2.gz YYIJUCDQSHLUHQ-RKDXNWHRSA-N 1 2 282.281 1.899 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(CC)s1 ZINC000884086622 779356998 /nfs/dbraw/zinc/35/69/98/779356998.db2.gz CUTGUPJZIHEMAE-LBPRGKRZSA-N 1 2 296.392 1.373 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccnc2N(C)C)C1 ZINC001044289701 779497123 /nfs/dbraw/zinc/49/71/23/779497123.db2.gz ASYUMHLNSJRQPD-UHFFFAOYSA-N 1 2 288.395 1.480 20 30 CDEDLO C[C@@H]1[C@@H](NC(=O)c2cccc3[nH+]ccn32)CCCN1CC#N ZINC000993598588 779582776 /nfs/dbraw/zinc/58/27/76/779582776.db2.gz JKMIQRBXGJFCFM-OLZOCXBDSA-N 1 2 297.362 1.441 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(F)c(F)c1F ZINC001038644517 779591235 /nfs/dbraw/zinc/59/12/35/779591235.db2.gz PCWMDJITVRJDJG-SECBINFHSA-N 1 2 282.265 1.541 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(F)c(F)c1F ZINC001038644517 779591241 /nfs/dbraw/zinc/59/12/41/779591241.db2.gz PCWMDJITVRJDJG-SECBINFHSA-N 1 2 282.265 1.541 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCCOCC2)C1 ZINC001030262044 779663307 /nfs/dbraw/zinc/66/33/07/779663307.db2.gz FPWVEVMLILIVLI-GFCCVEGCSA-N 1 2 252.358 1.180 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)C1 ZINC001031178303 779719462 /nfs/dbraw/zinc/71/94/62/779719462.db2.gz PXYWLLBPXYACPG-PKOBYXMFSA-N 1 2 294.398 1.714 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)ccnc1OCC ZINC001032539007 779830980 /nfs/dbraw/zinc/83/09/80/779830980.db2.gz CEMRJYBMFPEOSE-KBPBESRZSA-N 1 2 299.374 1.321 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)ccnc1OCC ZINC001032539007 779830982 /nfs/dbraw/zinc/83/09/82/779830982.db2.gz CEMRJYBMFPEOSE-KBPBESRZSA-N 1 2 299.374 1.321 20 30 CDEDLO Cc1nn(-c2ccc(C)cc2)cc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000848407609 779839616 /nfs/dbraw/zinc/83/96/16/779839616.db2.gz ALNVETUOYWDPIS-GFCCVEGCSA-N 1 2 296.378 1.760 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001035539429 779849909 /nfs/dbraw/zinc/84/99/09/779849909.db2.gz JTTCZJYGUOPFQC-MELADBBJSA-N 1 2 264.369 1.036 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001035539429 779849913 /nfs/dbraw/zinc/84/99/13/779849913.db2.gz JTTCZJYGUOPFQC-MELADBBJSA-N 1 2 264.369 1.036 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnn(C)c1 ZINC000879189515 779855076 /nfs/dbraw/zinc/85/50/76/779855076.db2.gz MLKWDIYZQUFDLY-LBPRGKRZSA-N 1 2 282.775 1.367 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(C)c1 ZINC000879189515 779855082 /nfs/dbraw/zinc/85/50/82/779855082.db2.gz MLKWDIYZQUFDLY-LBPRGKRZSA-N 1 2 282.775 1.367 20 30 CDEDLO C=C(Br)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000847395395 779869366 /nfs/dbraw/zinc/86/93/66/779869366.db2.gz UXQYTTZLFCMAPW-SSDOTTSWSA-N 1 2 272.146 1.613 20 30 CDEDLO C=C(Br)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000847395395 779869367 /nfs/dbraw/zinc/86/93/67/779869367.db2.gz UXQYTTZLFCMAPW-SSDOTTSWSA-N 1 2 272.146 1.613 20 30 CDEDLO C=CC(C)(C)CC(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913475973 779880057 /nfs/dbraw/zinc/88/00/57/779880057.db2.gz ZGYXFKHHGUEUCB-CYBMUJFWSA-N 1 2 276.384 1.495 20 30 CDEDLO FC(F)(F)CCN[NH+]=Cc1cnc(N2CCCC2)nc1 ZINC000794552571 779881079 /nfs/dbraw/zinc/88/10/79/779881079.db2.gz MRDOKZFKDPMYFS-UHFFFAOYSA-N 1 2 287.289 1.953 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C)n2cccn2)C1 ZINC001006787190 779941264 /nfs/dbraw/zinc/94/12/64/779941264.db2.gz GTSYUMDWSHQVGM-OLZOCXBDSA-N 1 2 296.802 1.777 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)n2cccn2)C1 ZINC001006787190 779941281 /nfs/dbraw/zinc/94/12/81/779941281.db2.gz GTSYUMDWSHQVGM-OLZOCXBDSA-N 1 2 296.802 1.777 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(CC)nc1C(C)C ZINC001038756816 779980831 /nfs/dbraw/zinc/98/08/31/779980831.db2.gz LMWXUZRHUMJFQD-CYBMUJFWSA-N 1 2 288.395 1.464 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(CC)nc1C(C)C ZINC001038756816 779980848 /nfs/dbraw/zinc/98/08/48/779980848.db2.gz LMWXUZRHUMJFQD-CYBMUJFWSA-N 1 2 288.395 1.464 20 30 CDEDLO N#CCSCCC[N@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933326887 780001117 /nfs/dbraw/zinc/00/11/17/780001117.db2.gz MXMLHNVADGVJDX-AWEZNQCLSA-N 1 2 289.404 1.806 20 30 CDEDLO N#CCSCCC[N@@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933326887 780001126 /nfs/dbraw/zinc/00/11/26/780001126.db2.gz MXMLHNVADGVJDX-AWEZNQCLSA-N 1 2 289.404 1.806 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@]12CCOC2 ZINC001018152312 780053612 /nfs/dbraw/zinc/05/36/12/780053612.db2.gz KWACCNXNQQCPFO-QSJFSLAZSA-N 1 2 288.391 1.112 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@]12CCOC2 ZINC001018152312 780053626 /nfs/dbraw/zinc/05/36/26/780053626.db2.gz KWACCNXNQQCPFO-QSJFSLAZSA-N 1 2 288.391 1.112 20 30 CDEDLO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]2C1 ZINC001048832548 780179171 /nfs/dbraw/zinc/17/91/71/780179171.db2.gz DCEZXERCSAQXRV-OUAUKWLOSA-N 1 2 294.292 1.853 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]2C1 ZINC001048832548 780179173 /nfs/dbraw/zinc/17/91/73/780179173.db2.gz DCEZXERCSAQXRV-OUAUKWLOSA-N 1 2 294.292 1.853 20 30 CDEDLO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)C(F)C(F)(F)F)C[C@H]2C1 ZINC001048832548 780179162 /nfs/dbraw/zinc/17/91/62/780179162.db2.gz DCEZXERCSAQXRV-OUAUKWLOSA-N 1 2 294.292 1.853 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C(F)C(F)(F)F)C[C@H]2C1 ZINC001048832548 780179168 /nfs/dbraw/zinc/17/91/68/780179168.db2.gz DCEZXERCSAQXRV-OUAUKWLOSA-N 1 2 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GQHPRBOUJLPFSP-YPMHNXCESA-N 1 2 284.363 1.942 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc3nc[nH]c32)[C@H]1C ZINC001088935910 912326510 /nfs/dbraw/zinc/32/65/10/912326510.db2.gz GQHPRBOUJLPFSP-YPMHNXCESA-N 1 2 284.363 1.942 20 30 CDEDLO COc1ccc(C[NH2+][C@@H](C)c2nncn2C)cc1C#N ZINC000087823543 912335321 /nfs/dbraw/zinc/33/53/21/912335321.db2.gz MTBVVVKUPWMUOT-JTQLQIEISA-N 1 2 271.324 1.546 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@H]1CCc2cc(F)ccc2C1 ZINC001168425191 912547362 /nfs/dbraw/zinc/54/73/62/912547362.db2.gz COLWEMOJPXAMMA-GJZGRUSLSA-N 1 2 259.328 1.480 20 30 CDEDLO COC(=O)[C@@]1([NH2+]C2CCC(C)(C#N)CC2)CCOC1 ZINC001173593282 912639750 /nfs/dbraw/zinc/63/97/50/912639750.db2.gz LRANSTZGHADWAL-UXUKBGGZSA-N 1 2 266.341 1.381 20 30 CDEDLO N#CC1([NH2+][C@@H]2CCC[C@H](n3ncnn3)C2)CCCC1 ZINC001173741602 912771794 /nfs/dbraw/zinc/77/17/94/912771794.db2.gz YFOOSLJOCVLTMK-NEPJUHHUSA-N 1 2 260.345 1.583 20 30 CDEDLO CCN(CCNc1ccc(C#N)cn1)C(=O)Cn1cc[nH+]c1 ZINC001106790261 914308271 /nfs/dbraw/zinc/30/82/71/914308271.db2.gz UEPVSMFPWSZCND-UHFFFAOYSA-N 1 2 298.350 1.110 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cnnn2C)C1 ZINC001267962952 900091729 /nfs/dbraw/zinc/09/17/29/900091729.db2.gz ZURKIHAGLHLVHH-CYBMUJFWSA-N 1 2 291.399 1.252 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2cnnn2C)C1 ZINC001267962952 900091737 /nfs/dbraw/zinc/09/17/37/900091737.db2.gz ZURKIHAGLHLVHH-CYBMUJFWSA-N 1 2 291.399 1.252 20 30 CDEDLO Cc1nc(N(C)CCN(C)C(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001105368299 902300115 /nfs/dbraw/zinc/30/01/15/902300115.db2.gz HFSVNKFXSVGASJ-UHFFFAOYSA-N 1 2 298.350 1.193 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Oc1ccc(C#N)c(F)c1 ZINC001225352974 902723735 /nfs/dbraw/zinc/72/37/35/902723735.db2.gz GJHIRGQKEJOZSB-NSHDSACASA-N 1 2 264.300 1.797 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]2O)C1 ZINC001083758925 914741489 /nfs/dbraw/zinc/74/14/89/914741489.db2.gz ZGRXKIHFDASRRQ-BKGLOODYSA-N 1 2 284.787 1.257 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2O)C1 ZINC001083758925 914741504 /nfs/dbraw/zinc/74/15/04/914741504.db2.gz ZGRXKIHFDASRRQ-BKGLOODYSA-N 1 2 284.787 1.257 20 30 CDEDLO C=CCOC(=O)[C@@H](Nc1c[nH+]cn1C)[C@@H](C)CC ZINC001167960412 904313366 /nfs/dbraw/zinc/31/33/66/904313366.db2.gz YQTLXLQMXWJXEQ-JQWIXIFHSA-N 1 2 251.330 1.976 20 30 CDEDLO C[N@@H+]1CCC12CN(C(=O)[C@H](C#N)Cc1cccs1)C2 ZINC001270389564 904590600 /nfs/dbraw/zinc/59/06/00/904590600.db2.gz UCTIYRJCXPDJRH-NSHDSACASA-N 1 2 275.377 1.347 20 30 CDEDLO C[N@H+]1CCC12CN(C(=O)[C@H](C#N)Cc1cccs1)C2 ZINC001270389564 904590611 /nfs/dbraw/zinc/59/06/11/904590611.db2.gz UCTIYRJCXPDJRH-NSHDSACASA-N 1 2 275.377 1.347 20 30 CDEDLO C=C(C)C(=O)OCCNc1[nH+]cnc2[nH]cc(F)c21 ZINC001168070903 906659938 /nfs/dbraw/zinc/65/99/38/906659938.db2.gz YFSDRTLBIJAYRW-UHFFFAOYSA-N 1 2 264.260 1.580 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)n2cccn2)[C@H]1C ZINC001088476412 907405495 /nfs/dbraw/zinc/40/54/95/907405495.db2.gz NQWQPLVWMISFAG-UPJWGTAASA-N 1 2 296.802 1.776 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)n2cccn2)[C@H]1C ZINC001088476412 907405499 /nfs/dbraw/zinc/40/54/99/907405499.db2.gz NQWQPLVWMISFAG-UPJWGTAASA-N 1 2 296.802 1.776 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)COc1cccnc1 ZINC001482636095 908086166 /nfs/dbraw/zinc/08/61/66/908086166.db2.gz PEJBTAWCAONPMT-UHFFFAOYSA-N 1 2 297.786 1.603 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)COc1cccnc1 ZINC001482636095 908086174 /nfs/dbraw/zinc/08/61/74/908086174.db2.gz PEJBTAWCAONPMT-UHFFFAOYSA-N 1 2 297.786 1.603 20 30 CDEDLO CC(C)c1nsc(C[NH2+]CCNC(=O)C#CC2CC2)n1 ZINC001126881473 909515693 /nfs/dbraw/zinc/51/56/93/909515693.db2.gz UWZDFNGBAGWZOS-UHFFFAOYSA-N 1 2 292.408 1.281 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cnoc2)[C@H]1C ZINC001088811316 909519758 /nfs/dbraw/zinc/51/97/58/909519758.db2.gz WRXFWZYVJMMXNU-PWSUYJOCSA-N 1 2 283.759 1.549 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cnoc2)[C@H]1C ZINC001088811316 909519771 /nfs/dbraw/zinc/51/97/71/909519771.db2.gz WRXFWZYVJMMXNU-PWSUYJOCSA-N 1 2 283.759 1.549 20 30 CDEDLO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001172319244 911560342 /nfs/dbraw/zinc/56/03/42/911560342.db2.gz LUFBPBRDFGQYSJ-SWHYSGLUSA-N 1 2 275.327 1.387 20 30 CDEDLO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001172319244 911560354 /nfs/dbraw/zinc/56/03/54/911560354.db2.gz LUFBPBRDFGQYSJ-SWHYSGLUSA-N 1 2 275.327 1.387 20 30 CDEDLO CCCOC1CCC([NH2+][C@@H](CS)C(=O)OC)CC1 ZINC001173092280 912149366 /nfs/dbraw/zinc/14/93/66/912149366.db2.gz LWNZYXBJPWVYHN-MCIGGMRASA-N 1 2 275.414 1.785 20 30 CDEDLO N#CCNCCCCCCNC(=O)CCn1cc[nH+]c1 ZINC001179176021 915765855 /nfs/dbraw/zinc/76/58/55/915765855.db2.gz HPKRQSWIZJWLKN-UHFFFAOYSA-N 1 2 277.372 1.063 20 30 CDEDLO C=CCCC(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001124640516 936327691 /nfs/dbraw/zinc/32/76/91/936327691.db2.gz IHKFVEPQSMSQIN-VIFPVBQESA-N 1 2 252.318 1.111 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@@H](C[NH+]1CCOCC1)C(C)(C)C ZINC001179902489 916085178 /nfs/dbraw/zinc/08/51/78/916085178.db2.gz MRIPPSDMWICNDB-RYUDHWBXSA-N 1 2 267.373 1.009 20 30 CDEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC001180756223 916606909 /nfs/dbraw/zinc/60/69/09/916606909.db2.gz XLDHEDFLOSVUDN-NSHDSACASA-N 1 2 291.376 1.378 20 30 CDEDLO C[N@H+]1CCO[C@H](C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC001180756223 916606915 /nfs/dbraw/zinc/60/69/15/916606915.db2.gz XLDHEDFLOSVUDN-NSHDSACASA-N 1 2 291.376 1.378 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@H](N(C)C(C)=O)C2)c(C#N)c1 ZINC001137705881 936393405 /nfs/dbraw/zinc/39/34/05/936393405.db2.gz FMGFCCMKBGBETG-HNNXBMFYSA-N 1 2 287.363 1.619 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@H](N(C)C(C)=O)C2)c(C#N)c1 ZINC001137705881 936393409 /nfs/dbraw/zinc/39/34/09/936393409.db2.gz FMGFCCMKBGBETG-HNNXBMFYSA-N 1 2 287.363 1.619 20 30 CDEDLO C#CC(C)(C)C(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001182635463 917995442 /nfs/dbraw/zinc/99/54/42/917995442.db2.gz ALFMXKXCBCUQDO-UHFFFAOYSA-N 1 2 285.391 1.428 20 30 CDEDLO C=C(Cl)C[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127773692 918380753 /nfs/dbraw/zinc/38/07/53/918380753.db2.gz SJTVEFJGENSWCS-LURJTMIESA-N 1 2 262.634 1.345 20 30 CDEDLO C=C(Cl)C[NH2+]CCNC(=O)[C@H](F)C(F)(F)F ZINC001127773692 918380768 /nfs/dbraw/zinc/38/07/68/918380768.db2.gz SJTVEFJGENSWCS-LURJTMIESA-N 1 2 262.634 1.345 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CC(C)C)C1 ZINC001107700649 918637579 /nfs/dbraw/zinc/63/75/79/918637579.db2.gz OJYJPUSUSSHVPY-CQSZACIVSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CC(C)C)C1 ZINC001107700649 918637589 /nfs/dbraw/zinc/63/75/89/918637589.db2.gz OJYJPUSUSSHVPY-CQSZACIVSA-N 1 2 254.374 1.426 20 30 CDEDLO N#CC1(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC001183759053 918659003 /nfs/dbraw/zinc/65/90/03/918659003.db2.gz ZXQKSRRWOMAFHB-OAHLLOKOSA-N 1 2 299.374 1.450 20 30 CDEDLO N#CC1(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CCOCC1 ZINC001183759053 918659010 /nfs/dbraw/zinc/65/90/10/918659010.db2.gz ZXQKSRRWOMAFHB-OAHLLOKOSA-N 1 2 299.374 1.450 20 30 CDEDLO CCCCN(CC#N)C(=O)CCc1ccc(N)[nH+]c1 ZINC001183933486 918748940 /nfs/dbraw/zinc/74/89/40/918748940.db2.gz OLVKKXDWMFFAGY-UHFFFAOYSA-N 1 2 260.341 1.749 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)n2cccc2)C1 ZINC001107874396 918956599 /nfs/dbraw/zinc/95/65/99/918956599.db2.gz OLUABCSAGZIPHN-HOCLYGCPSA-N 1 2 291.395 1.442 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)n2cccc2)C1 ZINC001107874396 918956617 /nfs/dbraw/zinc/95/66/17/918956617.db2.gz OLUABCSAGZIPHN-HOCLYGCPSA-N 1 2 291.395 1.442 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CC(=O)N(CC)C[C@H]2C)cc1 ZINC001138560337 936546795 /nfs/dbraw/zinc/54/67/95/936546795.db2.gz RSBULPDZORILPO-CQSZACIVSA-N 1 2 286.375 1.751 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CC(=O)N(CC)C[C@H]2C)cc1 ZINC001138560337 936546798 /nfs/dbraw/zinc/54/67/98/936546798.db2.gz RSBULPDZORILPO-CQSZACIVSA-N 1 2 286.375 1.751 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCOCC2)C1 ZINC001107907247 919037026 /nfs/dbraw/zinc/03/70/26/919037026.db2.gz PYMGSNQUMTYQMQ-ZBFHGGJFSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCOCC2)C1 ZINC001107907247 919037035 /nfs/dbraw/zinc/03/70/35/919037035.db2.gz PYMGSNQUMTYQMQ-ZBFHGGJFSA-N 1 2 296.411 1.196 20 30 CDEDLO C#Cc1cc(Nc2ccc[nH+]c2N2CCOCC2)ccn1 ZINC001212350390 919172812 /nfs/dbraw/zinc/17/28/12/919172812.db2.gz VEEXKGCFCJWQEK-UHFFFAOYSA-N 1 2 280.331 1.460 20 30 CDEDLO C#Cc1nccnc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212352245 919238422 /nfs/dbraw/zinc/23/84/22/919238422.db2.gz QFTKKPMTBIFHIA-UHFFFAOYSA-N 1 2 281.319 1.433 20 30 CDEDLO COCC#CC(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001187127776 920375316 /nfs/dbraw/zinc/37/53/16/920375316.db2.gz FORAKWWRYCNQQJ-UHFFFAOYSA-N 1 2 283.331 1.481 20 30 CDEDLO COC(=O)C1(O)CC[NH+](Cc2cc(F)cc(C#N)c2)CC1 ZINC001139878686 936655797 /nfs/dbraw/zinc/65/57/97/936655797.db2.gz TYYHMDWDBWHNPG-UHFFFAOYSA-N 1 2 292.310 1.197 20 30 CDEDLO C=CCOC(=O)N1CC[NH+](Cc2ccncc2O)CC1 ZINC001140282308 936697704 /nfs/dbraw/zinc/69/77/04/936697704.db2.gz SKUXYWCAGOHIFW-UHFFFAOYSA-N 1 2 277.324 1.227 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2ccc(C#N)nc2)Cc2ncn(C)c21 ZINC001140543150 936722771 /nfs/dbraw/zinc/72/27/71/936722771.db2.gz LEXABQGWEWFAOX-CYBMUJFWSA-N 1 2 297.362 1.433 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2ccc(C#N)nc2)Cc2ncn(C)c21 ZINC001140543150 936722773 /nfs/dbraw/zinc/72/27/73/936722773.db2.gz LEXABQGWEWFAOX-CYBMUJFWSA-N 1 2 297.362 1.433 20 30 CDEDLO C=CCC1(S(=O)(=O)N2CCc3[nH+]ccn3CC2)CC1 ZINC001190794484 922205918 /nfs/dbraw/zinc/20/59/18/922205918.db2.gz UJXLLWZCYOWXFM-UHFFFAOYSA-N 1 2 281.381 1.180 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@]1(C)C[N@H+](CC#CC)CCO1 ZINC001108121516 922555272 /nfs/dbraw/zinc/55/52/72/922555272.db2.gz BSBGKCPHDAQHJX-MRXNPFEDSA-N 1 2 278.396 1.429 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001108121516 922555285 /nfs/dbraw/zinc/55/52/85/922555285.db2.gz BSBGKCPHDAQHJX-MRXNPFEDSA-N 1 2 278.396 1.429 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2csc(C)n2)C1 ZINC001108159152 922817877 /nfs/dbraw/zinc/81/78/77/922817877.db2.gz SNYHNUUDUSMALI-AWEZNQCLSA-N 1 2 295.408 1.458 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2csc(C)n2)C1 ZINC001108159152 922817887 /nfs/dbraw/zinc/81/78/87/922817887.db2.gz SNYHNUUDUSMALI-AWEZNQCLSA-N 1 2 295.408 1.458 20 30 CDEDLO CCN(C(=O)c1ccc(C#N)cc1OC)C1C[NH+](C)C1 ZINC001192255724 922960540 /nfs/dbraw/zinc/96/05/40/922960540.db2.gz JDDONCYOZYAGJG-UHFFFAOYSA-N 1 2 273.336 1.343 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001035382896 922981478 /nfs/dbraw/zinc/98/14/78/922981478.db2.gz SELSQMNSFJAAIA-FXUDXRNXSA-N 1 2 290.407 1.592 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001035382896 922981504 /nfs/dbraw/zinc/98/15/04/922981504.db2.gz SELSQMNSFJAAIA-FXUDXRNXSA-N 1 2 290.407 1.592 20 30 CDEDLO N#Cc1cc(F)ccc1C[NH+]1CCC2(CNC(=O)N2)CC1 ZINC001141167320 936824494 /nfs/dbraw/zinc/82/44/94/936824494.db2.gz GWKCVEDPEOKYAU-UHFFFAOYSA-N 1 2 288.326 1.345 20 30 CDEDLO CN(C)c1cc[nH+]cc1NC(=O)c1cccc(C#N)c1O ZINC001193634219 923822960 /nfs/dbraw/zinc/82/29/60/923822960.db2.gz AUXPKKVMMSMNRS-UHFFFAOYSA-N 1 2 282.303 1.977 20 30 CDEDLO CC#CC[N@H+](C)[C@H]1CCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC001193806070 923905961 /nfs/dbraw/zinc/90/59/61/923905961.db2.gz OCUUTHVWJZIJON-ZDUSSCGKSA-N 1 2 296.374 1.733 20 30 CDEDLO CC#CC[N@@H+](C)[C@H]1CCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC001193806070 923905969 /nfs/dbraw/zinc/90/59/69/923905969.db2.gz OCUUTHVWJZIJON-ZDUSSCGKSA-N 1 2 296.374 1.733 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CC(C)(F)F)C1 ZINC001108189640 924087512 /nfs/dbraw/zinc/08/75/12/924087512.db2.gz GNCSVOHSDSEOQC-GFCCVEGCSA-N 1 2 276.327 1.425 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CC(C)(F)F)C1 ZINC001108189640 924087522 /nfs/dbraw/zinc/08/75/22/924087522.db2.gz GNCSVOHSDSEOQC-GFCCVEGCSA-N 1 2 276.327 1.425 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ncoc2C)C1 ZINC001079470730 924329194 /nfs/dbraw/zinc/32/91/94/924329194.db2.gz ZQULZPJRHKZPJR-LDYMZIIASA-N 1 2 283.759 1.786 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ncoc2C)C1 ZINC001079470730 924329200 /nfs/dbraw/zinc/32/92/00/924329200.db2.gz ZQULZPJRHKZPJR-LDYMZIIASA-N 1 2 283.759 1.786 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001079589140 924373967 /nfs/dbraw/zinc/37/39/67/924373967.db2.gz UUPPUKOUJULJDO-NOZJJQNGSA-N 1 2 292.770 1.689 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001079589140 924373975 /nfs/dbraw/zinc/37/39/75/924373975.db2.gz UUPPUKOUJULJDO-NOZJJQNGSA-N 1 2 292.770 1.689 20 30 CDEDLO C=CCCC(=O)N1CCC[N@@H+](Cc2cc(C)no2)CC1 ZINC001195191206 924488776 /nfs/dbraw/zinc/48/87/76/924488776.db2.gz DNTMSLJERBRPNC-UHFFFAOYSA-N 1 2 277.368 1.984 20 30 CDEDLO C=CCCC(=O)N1CCC[N@H+](Cc2cc(C)no2)CC1 ZINC001195191206 924488780 /nfs/dbraw/zinc/48/87/80/924488780.db2.gz DNTMSLJERBRPNC-UHFFFAOYSA-N 1 2 277.368 1.984 20 30 CDEDLO C=CCCC(=O)N1CCC[N@@H+](CC(=O)NCCCC)CC1 ZINC001195191809 924490495 /nfs/dbraw/zinc/49/04/95/924490495.db2.gz NWDKNEKNLNOVQD-UHFFFAOYSA-N 1 2 295.427 1.403 20 30 CDEDLO C=CCCC(=O)N1CCC[N@H+](CC(=O)NCCCC)CC1 ZINC001195191809 924490500 /nfs/dbraw/zinc/49/05/00/924490500.db2.gz NWDKNEKNLNOVQD-UHFFFAOYSA-N 1 2 295.427 1.403 20 30 CDEDLO C=CCC(CC=C)C(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001195966852 924772200 /nfs/dbraw/zinc/77/22/00/924772200.db2.gz ZSXKYMDWYDBBLC-ZDUSSCGKSA-N 1 2 293.411 1.163 20 30 CDEDLO C=CCC(CC=C)C(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001195966852 924772208 /nfs/dbraw/zinc/77/22/08/924772208.db2.gz ZSXKYMDWYDBBLC-ZDUSSCGKSA-N 1 2 293.411 1.163 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccoc3CC)[C@H]2C1 ZINC001083068258 925095267 /nfs/dbraw/zinc/09/52/67/925095267.db2.gz YHYMNFBPNCIBJD-DZGCQCFKSA-N 1 2 288.347 1.000 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccoc3CC)[C@H]2C1 ZINC001083068258 925095274 /nfs/dbraw/zinc/09/52/74/925095274.db2.gz YHYMNFBPNCIBJD-DZGCQCFKSA-N 1 2 288.347 1.000 20 30 CDEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)co3)[C@H]2C1 ZINC001083171148 925110213 /nfs/dbraw/zinc/11/02/13/925110213.db2.gz OABPQAVIZBYENK-GXTWGEPZSA-N 1 2 276.336 1.299 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C)co3)[C@H]2C1 ZINC001083171148 925110217 /nfs/dbraw/zinc/11/02/17/925110217.db2.gz OABPQAVIZBYENK-GXTWGEPZSA-N 1 2 276.336 1.299 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001084235792 925197117 /nfs/dbraw/zinc/19/71/17/925197117.db2.gz OAKPBDKPVOSISO-YUSALJHKSA-N 1 2 267.760 1.431 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001084235792 925197124 /nfs/dbraw/zinc/19/71/24/925197124.db2.gz OAKPBDKPVOSISO-YUSALJHKSA-N 1 2 267.760 1.431 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001199155014 925621932 /nfs/dbraw/zinc/62/19/32/925621932.db2.gz OYVDANKLBCWXMR-RBSFLKMASA-N 1 2 280.412 1.243 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001199155014 925621935 /nfs/dbraw/zinc/62/19/35/925621935.db2.gz OYVDANKLBCWXMR-RBSFLKMASA-N 1 2 280.412 1.243 20 30 CDEDLO CC#CCCCC(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101906546 937025318 /nfs/dbraw/zinc/02/53/18/937025318.db2.gz NHGZPDMVPNYMBB-UHFFFAOYSA-N 1 2 274.368 1.849 20 30 CDEDLO C=CCOCCO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000842022772 937028405 /nfs/dbraw/zinc/02/84/05/937028405.db2.gz NBRYVPAIBHHLON-UHFFFAOYSA-N 1 2 252.289 1.974 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2cccc3nc[nH]c32)CC1 ZINC001142696572 937055724 /nfs/dbraw/zinc/05/57/24/937055724.db2.gz POGBZOSQWSBTPS-UHFFFAOYSA-N 1 2 298.346 1.842 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1coc(C(C)(C)C)n1 ZINC001085591810 926189788 /nfs/dbraw/zinc/18/97/88/926189788.db2.gz SXFPTXBJDIXXCC-GFCCVEGCSA-N 1 2 289.379 1.752 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1coc(C(C)(C)C)n1 ZINC001085591810 926189794 /nfs/dbraw/zinc/18/97/94/926189794.db2.gz SXFPTXBJDIXXCC-GFCCVEGCSA-N 1 2 289.379 1.752 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2cccnc2n1 ZINC001085606793 926205728 /nfs/dbraw/zinc/20/57/28/926205728.db2.gz YCYPTFOHNSCOSR-CQSZACIVSA-N 1 2 294.358 1.409 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2cccnc2n1 ZINC001085606793 926205736 /nfs/dbraw/zinc/20/57/36/926205736.db2.gz YCYPTFOHNSCOSR-CQSZACIVSA-N 1 2 294.358 1.409 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccnn1C(C)C ZINC001085617910 926218798 /nfs/dbraw/zinc/21/87/98/926218798.db2.gz ZQJJBBGAGSPFRW-CYBMUJFWSA-N 1 2 274.368 1.244 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccnn1C(C)C ZINC001085617910 926218803 /nfs/dbraw/zinc/21/88/03/926218803.db2.gz ZQJJBBGAGSPFRW-CYBMUJFWSA-N 1 2 274.368 1.244 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ncn2ccc(C)cc12 ZINC001085683996 926288744 /nfs/dbraw/zinc/28/87/44/926288744.db2.gz GFYQPGZKCPMJKH-CQSZACIVSA-N 1 2 296.374 1.422 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncn2ccc(C)cc12 ZINC001085683996 926288751 /nfs/dbraw/zinc/28/87/51/926288751.db2.gz GFYQPGZKCPMJKH-CQSZACIVSA-N 1 2 296.374 1.422 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1-c1cc(C#N)ccc1OC ZINC001201578996 926340105 /nfs/dbraw/zinc/34/01/05/926340105.db2.gz SNIOBZBJCKBTLF-UHFFFAOYSA-N 1 2 286.291 1.511 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(CC(C)C)c1 ZINC001085894991 926484291 /nfs/dbraw/zinc/48/42/91/926484291.db2.gz QMVGLKSTIOUJRU-OAHLLOKOSA-N 1 2 288.395 1.319 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(CC(C)C)c1 ZINC001085894991 926484294 /nfs/dbraw/zinc/48/42/94/926484294.db2.gz QMVGLKSTIOUJRU-OAHLLOKOSA-N 1 2 288.395 1.319 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1OC ZINC001085935674 926520441 /nfs/dbraw/zinc/52/04/41/926520441.db2.gz LEAXBBQRKCRKAP-LLVKDONJSA-N 1 2 278.377 1.536 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1OC ZINC001085935674 926520446 /nfs/dbraw/zinc/52/04/46/926520446.db2.gz LEAXBBQRKCRKAP-LLVKDONJSA-N 1 2 278.377 1.536 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(F)cc1C ZINC001085937653 926523848 /nfs/dbraw/zinc/52/38/48/926523848.db2.gz KTSXUQKICGYWDR-CQSZACIVSA-N 1 2 274.339 1.914 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(F)cc1C ZINC001085937653 926523854 /nfs/dbraw/zinc/52/38/54/926523854.db2.gz KTSXUQKICGYWDR-CQSZACIVSA-N 1 2 274.339 1.914 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)nc1C ZINC001085985174 926572372 /nfs/dbraw/zinc/57/23/72/926572372.db2.gz VCMWELVJVRIPLZ-CQSZACIVSA-N 1 2 271.364 1.478 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)nc1C ZINC001085985174 926572379 /nfs/dbraw/zinc/57/23/79/926572379.db2.gz VCMWELVJVRIPLZ-CQSZACIVSA-N 1 2 271.364 1.478 20 30 CDEDLO CC(=O)N1CCC[C@@H](CNc2ccc(CC#N)c[nH+]2)C1 ZINC001168775782 927188941 /nfs/dbraw/zinc/18/89/41/927188941.db2.gz UAXNBLFOAHNNQB-AWEZNQCLSA-N 1 2 272.352 1.818 20 30 CDEDLO Cc1nc(NC[C@](C)(NC(=O)C#CC2CC2)C2CC2)cc[nH+]1 ZINC001103530316 937146099 /nfs/dbraw/zinc/14/60/99/937146099.db2.gz IHDCPPCYCLWSMN-KRWDZBQOSA-N 1 2 298.390 1.895 20 30 CDEDLO Cc1nc(N[C@H]2CC[C@H](NC(=O)[C@@H](C)C#N)CC2)cc[nH+]1 ZINC001103632069 937149126 /nfs/dbraw/zinc/14/91/26/937149126.db2.gz RIONJOXXLYKBIN-DRZSPHRISA-N 1 2 287.367 1.784 20 30 CDEDLO C=CCO[C@H](C)C(=O)NCC[NH2+]Cc1ncc(CC)o1 ZINC001153134283 927584047 /nfs/dbraw/zinc/58/40/47/927584047.db2.gz BDFUQDCEITUHMT-LLVKDONJSA-N 1 2 281.356 1.034 20 30 CDEDLO C[C@@H](CNC(=O)Cn1cc[nH+]c1)CNc1ccc(C#N)nc1 ZINC001104002153 937184192 /nfs/dbraw/zinc/18/41/92/937184192.db2.gz LUKXEFHMKKOONA-GFCCVEGCSA-N 1 2 298.350 1.014 20 30 CDEDLO C=C[C@@H]1C[C@]1([NH2+][C@H]1CCCC2(C1)OCCO2)C(=O)OCC ZINC001169917871 928520268 /nfs/dbraw/zinc/52/02/68/928520268.db2.gz YAQAEUSGVPCCPP-DVOMOZLQSA-N 1 2 295.379 1.770 20 30 CDEDLO COC(=O)n1ncc(C#N)c1Nc1ccn2cc(N)[nH+]c2c1 ZINC001169970530 928721801 /nfs/dbraw/zinc/72/18/01/928721801.db2.gz JBVHGWBGLWGRGR-UHFFFAOYSA-N 1 2 297.278 1.343 20 30 CDEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC ZINC001109046700 928775134 /nfs/dbraw/zinc/77/51/34/928775134.db2.gz WTULLNWUNYCLTO-RDBSUJKOSA-N 1 2 293.411 1.200 20 30 CDEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC ZINC001109046700 928775143 /nfs/dbraw/zinc/77/51/43/928775143.db2.gz WTULLNWUNYCLTO-RDBSUJKOSA-N 1 2 293.411 1.200 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncs1 ZINC001109088339 928786223 /nfs/dbraw/zinc/78/62/23/928786223.db2.gz MGZWKBYKALVVMX-LFSVMHDDSA-N 1 2 290.392 1.524 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncs1 ZINC001109088339 928786230 /nfs/dbraw/zinc/78/62/30/928786230.db2.gz MGZWKBYKALVVMX-LFSVMHDDSA-N 1 2 290.392 1.524 20 30 CDEDLO Cc1nc(NCCCN(C)C(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001109392488 928913313 /nfs/dbraw/zinc/91/33/13/928913313.db2.gz JTGRMKKASSHKNQ-JTQLQIEISA-N 1 2 261.329 1.205 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](CC)OCC)CC1 ZINC001112666864 929302257 /nfs/dbraw/zinc/30/22/57/929302257.db2.gz WSBZJVBNOGVIBF-CQSZACIVSA-N 1 2 284.400 1.148 20 30 CDEDLO C=C(C)CCC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC001112901340 929552135 /nfs/dbraw/zinc/55/21/35/929552135.db2.gz JBURFYBDEMRUFZ-UHFFFAOYSA-N 1 2 284.400 1.150 20 30 CDEDLO C=CCO[C@H](C)C(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001153134724 937421974 /nfs/dbraw/zinc/42/19/74/937421974.db2.gz HUVLITCRMAJFJV-LLVKDONJSA-N 1 2 293.367 1.349 20 30 CDEDLO C[S@](=O)c1c[nH]c2nc[nH+]c(NCCCS)c12 ZINC001171000089 931235003 /nfs/dbraw/zinc/23/50/03/931235003.db2.gz VUIHDGHABKEHAM-KRWDZBQOSA-N 1 2 270.383 1.379 20 30 CDEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ncc(C)cn1)CC2 ZINC001274441473 931500340 /nfs/dbraw/zinc/50/03/40/931500340.db2.gz CWEHTJQNEGAAPK-AWEZNQCLSA-N 1 2 298.390 1.137 20 30 CDEDLO C#CCN1C(=O)C[C@@]2(CCCN(c3cccc[nH+]3)C2)C1=O ZINC001274739583 931563538 /nfs/dbraw/zinc/56/35/38/931563538.db2.gz LCYTUIVAWOTKKO-MRXNPFEDSA-N 1 2 283.331 1.060 20 30 CDEDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)CCS1 ZINC001144166655 931686247 /nfs/dbraw/zinc/68/62/47/931686247.db2.gz PEEWDJGIBZQMLB-ZDUSSCGKSA-N 1 2 291.376 1.434 20 30 CDEDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)CCS1 ZINC001144166655 931686250 /nfs/dbraw/zinc/68/62/50/931686250.db2.gz PEEWDJGIBZQMLB-ZDUSSCGKSA-N 1 2 291.376 1.434 20 30 CDEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC(=O)N[C@@H](C)C1 ZINC001171203756 931943344 /nfs/dbraw/zinc/94/33/44/931943344.db2.gz PSGWSDMEUBAEPL-RYUDHWBXSA-N 1 2 257.337 1.310 20 30 CDEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC001171203756 931943346 /nfs/dbraw/zinc/94/33/46/931943346.db2.gz PSGWSDMEUBAEPL-RYUDHWBXSA-N 1 2 257.337 1.310 20 30 CDEDLO NC(=O)c1ccc(C(=[NH2+])Nc2cnc3c(c2)CN=N3)cc1 ZINC001171258925 932172332 /nfs/dbraw/zinc/17/23/32/932172332.db2.gz QBZNRKNPLOXTQY-UHFFFAOYSA-N 1 2 280.291 1.815 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC ZINC001110887597 932779246 /nfs/dbraw/zinc/77/92/46/932779246.db2.gz QGOTZLHFRIVXIT-UPJWGTAASA-N 1 2 293.411 1.056 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC ZINC001110887597 932779252 /nfs/dbraw/zinc/77/92/52/932779252.db2.gz QGOTZLHFRIVXIT-UPJWGTAASA-N 1 2 293.411 1.056 20 30 CDEDLO C=CCN1C(=O)COCC12C[NH+](C[C@H](C)C(F)(F)F)C2 ZINC001273445637 932826709 /nfs/dbraw/zinc/82/67/09/932826709.db2.gz JZTWTSBCRMPBSV-JTQLQIEISA-N 1 2 292.301 1.284 20 30 CDEDLO Cc1[nH+]cc(C=NN2C(=S)N=NC2[C@H]2CCCO2)n1C ZINC001118524212 937636419 /nfs/dbraw/zinc/63/64/19/937636419.db2.gz XQRWPEHCEVZZBV-SNVBAGLBSA-N 1 2 292.368 1.342 20 30 CDEDLO N#Cc1c[nH]c2cc[nH+]c(N(CCO)CC(F)(F)F)c12 ZINC001155777228 937672374 /nfs/dbraw/zinc/67/23/74/937672374.db2.gz DFUYCHDJOLTINE-UHFFFAOYSA-N 1 2 284.241 1.796 20 30 CDEDLO C=CCCC(=O)N1C[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2C1 ZINC001111290112 934502964 /nfs/dbraw/zinc/50/29/64/934502964.db2.gz GCDAHKDTLWUWEE-OKILXGFUSA-N 1 2 286.379 1.646 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nccs3)C[C@H]21 ZINC001114672729 934904040 /nfs/dbraw/zinc/90/40/40/934904040.db2.gz UHSXWQHAMDOLBW-PJXYFTJBSA-N 1 2 291.420 1.902 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nccs3)C[C@H]21 ZINC001114672729 934904043 /nfs/dbraw/zinc/90/40/43/934904043.db2.gz UHSXWQHAMDOLBW-PJXYFTJBSA-N 1 2 291.420 1.902 20 30 CDEDLO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C/C=C\Cl)[nH]1 ZINC001038172544 935736784 /nfs/dbraw/zinc/73/67/84/935736784.db2.gz IMVCKIZYCIIOOG-ORSQJBAVSA-N 1 2 278.743 1.443 20 30 CDEDLO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C/C=C\Cl)[nH]1 ZINC001038172544 935736785 /nfs/dbraw/zinc/73/67/85/935736785.db2.gz IMVCKIZYCIIOOG-ORSQJBAVSA-N 1 2 278.743 1.443 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(OC)ncc2Cl)CC1 ZINC001238355135 945155215 /nfs/dbraw/zinc/15/52/15/945155215.db2.gz UDLYPWOQWSUKCG-UHFFFAOYSA-N 1 2 279.771 1.494 20 30 CDEDLO CCc1[nH]c(CNC(=O)c2ccsc2C#N)c[nH+]1 ZINC001156544272 938382198 /nfs/dbraw/zinc/38/21/98/938382198.db2.gz SFHMXPHTJKNHMV-UHFFFAOYSA-N 1 2 260.322 1.835 20 30 CDEDLO CCc1[nH]cc(CNC(=O)c2ccsc2C#N)[nH+]1 ZINC001156544272 938382203 /nfs/dbraw/zinc/38/22/03/938382203.db2.gz SFHMXPHTJKNHMV-UHFFFAOYSA-N 1 2 260.322 1.835 20 30 CDEDLO C=C(C)C(=O)NCCCNc1[nH+]c(C)nc2[nH]ccc21 ZINC001156820796 938421719 /nfs/dbraw/zinc/42/17/19/938421719.db2.gz DCLLSECQPLHFFL-UHFFFAOYSA-N 1 2 273.340 1.712 20 30 CDEDLO Nc1[nH]c2cc(C(=O)NCCCS)ccc2[nH+]1 ZINC001156978970 938442561 /nfs/dbraw/zinc/44/25/61/938442561.db2.gz GOBHYYWMUHNENQ-UHFFFAOYSA-N 1 2 250.327 1.195 20 30 CDEDLO N#CCCCCNc1cc(N2CCC[C@@H]2C(N)=O)nc[nH+]1 ZINC001157641679 938525200 /nfs/dbraw/zinc/52/52/00/938525200.db2.gz AXODDMVGKFEZQW-LLVKDONJSA-N 1 2 288.355 1.036 20 30 CDEDLO N#CCCCCNc1cc(N2CCC[C@@H]2C(N)=O)[nH+]cn1 ZINC001157641679 938525203 /nfs/dbraw/zinc/52/52/03/938525203.db2.gz AXODDMVGKFEZQW-LLVKDONJSA-N 1 2 288.355 1.036 20 30 CDEDLO Cc1ccnc(NCC2([NH+]3CCCC3)COC2)c1C#N ZINC001157649791 938526510 /nfs/dbraw/zinc/52/65/10/938526510.db2.gz BZFVXHXKGQIVMM-UHFFFAOYSA-N 1 2 272.352 1.538 20 30 CDEDLO C#C[C@@](C)(CC)Nc1cc(N2CCC[C@H]2C(N)=O)nc[nH+]1 ZINC001158742348 938658540 /nfs/dbraw/zinc/65/85/40/938658540.db2.gz FAVBHPBTXLFSOI-NHYWBVRUSA-N 1 2 287.367 1.145 20 30 CDEDLO C#C[C@@](C)(CC)Nc1cc(N2CCC[C@H]2C(N)=O)[nH+]cn1 ZINC001158742348 938658542 /nfs/dbraw/zinc/65/85/42/938658542.db2.gz FAVBHPBTXLFSOI-NHYWBVRUSA-N 1 2 287.367 1.145 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnc(F)c(OC(C)C)c2)CC1 ZINC001238603873 945215028 /nfs/dbraw/zinc/21/50/28/945215028.db2.gz OWNOKBKYQBMEBH-UHFFFAOYSA-N 1 2 291.370 1.759 20 30 CDEDLO C#CC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001161913630 938942503 /nfs/dbraw/zinc/94/25/03/938942503.db2.gz DFHXYNVBPUOMRJ-LBPRGKRZSA-N 1 2 259.353 1.977 20 30 CDEDLO CCOC(=O)[C@H]([NH3+])CNc1nc(Cl)cc(C)c1C#N ZINC001161945383 938946501 /nfs/dbraw/zinc/94/65/01/938946501.db2.gz IWYOLQLFNGDDLH-SECBINFHSA-N 1 2 282.731 1.217 20 30 CDEDLO CCc1nc(C#N)c(NC[C@@H]2C[N@H+](C)CCO2)nc1Cl ZINC001162682599 939115506 /nfs/dbraw/zinc/11/55/06/939115506.db2.gz DSPIQTJKUBNKEF-SECBINFHSA-N 1 2 295.774 1.307 20 30 CDEDLO CCc1nc(C#N)c(NC[C@@H]2C[N@@H+](C)CCO2)nc1Cl ZINC001162682599 939115507 /nfs/dbraw/zinc/11/55/07/939115507.db2.gz DSPIQTJKUBNKEF-SECBINFHSA-N 1 2 295.774 1.307 20 30 CDEDLO C=CCOc1ccc(NC[C@@H]2C[N@H+](C)CCO2)nc1C#N ZINC001162684495 939116276 /nfs/dbraw/zinc/11/62/76/939116276.db2.gz ZNELOLIZYRUTIK-GFCCVEGCSA-N 1 2 288.351 1.261 20 30 CDEDLO C=CCOc1ccc(NC[C@@H]2C[N@@H+](C)CCO2)nc1C#N ZINC001162684495 939116277 /nfs/dbraw/zinc/11/62/77/939116277.db2.gz ZNELOLIZYRUTIK-GFCCVEGCSA-N 1 2 288.351 1.261 20 30 CDEDLO N#Cc1cccc(N2CC(n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC001162717808 939128101 /nfs/dbraw/zinc/12/81/01/939128101.db2.gz PEQDZIFHEYGPDO-UHFFFAOYSA-N 1 2 269.264 1.724 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1cc(C#N)cc(Cl)n1 ZINC001162848203 939152139 /nfs/dbraw/zinc/15/21/39/939152139.db2.gz ADUYQKRQNWLJSJ-VIFPVBQESA-N 1 2 296.758 1.688 20 30 CDEDLO CCc1cc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)ccc1C#N ZINC001238778326 945246497 /nfs/dbraw/zinc/24/64/97/945246497.db2.gz LSSVXCHPKUTJEG-OAHLLOKOSA-N 1 2 285.347 1.757 20 30 CDEDLO CCc1cc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)ccc1C#N ZINC001238778326 945246507 /nfs/dbraw/zinc/24/65/07/945246507.db2.gz LSSVXCHPKUTJEG-OAHLLOKOSA-N 1 2 285.347 1.757 20 30 CDEDLO N#Cc1c[nH]c2cc[nH+]c(N3Cc4cncnc4C3)c12 ZINC001163985179 939371171 /nfs/dbraw/zinc/37/11/71/939371171.db2.gz UKZSOGICGPUKQP-UHFFFAOYSA-N 1 2 262.276 1.745 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2ncc(Cl)c(C)c2C#N)C[NH2+]1 ZINC001164307204 939450380 /nfs/dbraw/zinc/45/03/80/939450380.db2.gz VMWSLLIEXCNNIQ-KWQFWETISA-N 1 2 294.742 1.231 20 30 CDEDLO N#Cc1c(Cl)ncnc1N1CC[NH2+]CC(F)(F)C1 ZINC001164488295 939478502 /nfs/dbraw/zinc/47/85/02/939478502.db2.gz CWBARUPMVMRILY-UHFFFAOYSA-N 1 2 273.674 1.047 20 30 CDEDLO N#CCNCC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001206968530 940119178 /nfs/dbraw/zinc/11/91/78/940119178.db2.gz LTZPWGPMMHHEPZ-UHFFFAOYSA-N 1 2 289.383 1.015 20 30 CDEDLO CCCC[N@H+](CC#N)CC1CCN(S(C)(=O)=O)CC1 ZINC001207448519 940198168 /nfs/dbraw/zinc/19/81/68/940198168.db2.gz QLGXITUQNFXNHJ-UHFFFAOYSA-N 1 2 287.429 1.284 20 30 CDEDLO CCCC[N@@H+](CC#N)CC1CCN(S(C)(=O)=O)CC1 ZINC001207448519 940198170 /nfs/dbraw/zinc/19/81/70/940198170.db2.gz QLGXITUQNFXNHJ-UHFFFAOYSA-N 1 2 287.429 1.284 20 30 CDEDLO Cc1noc(C[NH2+][C@@H]2CCCN(C(=O)C#CC(C)C)C2)n1 ZINC001207995140 940275669 /nfs/dbraw/zinc/27/56/69/940275669.db2.gz BFGGRLPCVMYFPC-CYBMUJFWSA-N 1 2 290.367 1.118 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cnccn2)C1 ZINC001209787730 940642833 /nfs/dbraw/zinc/64/28/33/940642833.db2.gz UTOKFCOEWOPESK-LBPRGKRZSA-N 1 2 276.340 1.353 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cnccn2)C1 ZINC001209787730 940642836 /nfs/dbraw/zinc/64/28/36/940642836.db2.gz UTOKFCOEWOPESK-LBPRGKRZSA-N 1 2 276.340 1.353 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@@H]1O ZINC001219718623 941383099 /nfs/dbraw/zinc/38/30/99/941383099.db2.gz LDJLDLYROVVQSW-KGLIPLIRSA-N 1 2 293.367 1.001 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@@H]1O ZINC001219718623 941383101 /nfs/dbraw/zinc/38/31/01/941383101.db2.gz LDJLDLYROVVQSW-KGLIPLIRSA-N 1 2 293.367 1.001 20 30 CDEDLO COc1cc(C#N)ccc1O[C@H](C)C[NH+]1CCOCC1 ZINC001225193787 941829226 /nfs/dbraw/zinc/82/92/26/941829226.db2.gz QXGMDRGOHACUQQ-GFCCVEGCSA-N 1 2 276.336 1.666 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3c(O)cccc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225802263 941914034 /nfs/dbraw/zinc/91/40/34/941914034.db2.gz YTWVSLKNRGZMCC-LEGMNPEXSA-N 1 2 265.284 1.523 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3c(O)cccc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225802263 941914038 /nfs/dbraw/zinc/91/40/38/941914038.db2.gz YTWVSLKNRGZMCC-LEGMNPEXSA-N 1 2 265.284 1.523 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@H](Oc3c(F)cccc3C#N)[C@H]1CC(=O)C2 ZINC001227287223 942162846 /nfs/dbraw/zinc/16/28/46/942162846.db2.gz HDQDBKAKMTUSDB-GDLCADMTSA-N 1 2 274.295 1.880 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@H](Oc3c(F)cccc3C#N)[C@H]1CC(=O)C2 ZINC001227287223 942162849 /nfs/dbraw/zinc/16/28/49/942162849.db2.gz HDQDBKAKMTUSDB-GDLCADMTSA-N 1 2 274.295 1.880 20 30 CDEDLO C=CCO[C@H](C)C(=O)NC1CC[NH+](Cc2ccon2)CC1 ZINC001230407186 942618420 /nfs/dbraw/zinc/61/84/20/942618420.db2.gz JVCUTNLRPDSJET-GFCCVEGCSA-N 1 2 293.367 1.346 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CCC1 ZINC001230571937 942646813 /nfs/dbraw/zinc/64/68/13/942646813.db2.gz GSZJFPOWAYNUPV-TZMCWYRMSA-N 1 2 293.411 1.010 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1CCC1 ZINC001230571937 942646815 /nfs/dbraw/zinc/64/68/15/942646815.db2.gz GSZJFPOWAYNUPV-TZMCWYRMSA-N 1 2 293.411 1.010 20 30 CDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCCF)CC1 ZINC001230586585 942651547 /nfs/dbraw/zinc/65/15/47/942651547.db2.gz BUOMARCXOYZQQR-AWEZNQCLSA-N 1 2 281.375 1.963 20 30 CDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCCF)CC1 ZINC001230586585 942651549 /nfs/dbraw/zinc/65/15/49/942651549.db2.gz BUOMARCXOYZQQR-AWEZNQCLSA-N 1 2 281.375 1.963 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)OCC(C)C ZINC001230975461 942747474 /nfs/dbraw/zinc/74/74/74/942747474.db2.gz GQLCISUZFPLLCG-ZIAGYGMSSA-N 1 2 266.385 1.213 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)OCC(C)C ZINC001230975461 942747476 /nfs/dbraw/zinc/74/74/76/942747476.db2.gz GQLCISUZFPLLCG-ZIAGYGMSSA-N 1 2 266.385 1.213 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc3ccncc3[nH]2)CC1 ZINC001232096048 943137691 /nfs/dbraw/zinc/13/76/91/943137691.db2.gz RYLIKYJHIQUHNM-UHFFFAOYSA-N 1 2 254.337 1.314 20 30 CDEDLO C#CCN1CC[NH+](Cc2cc3ccncc3[nH]2)CC1 ZINC001232096048 943137696 /nfs/dbraw/zinc/13/76/96/943137696.db2.gz RYLIKYJHIQUHNM-UHFFFAOYSA-N 1 2 254.337 1.314 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2C[C@H](F)C[C@H]2CO)c1 ZINC001232673790 943355400 /nfs/dbraw/zinc/35/54/00/943355400.db2.gz NKUZBBALFZKCCX-NEPJUHHUSA-N 1 2 250.273 1.169 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2C[C@H](F)C[C@H]2CO)c1 ZINC001232673790 943355404 /nfs/dbraw/zinc/35/54/04/943355404.db2.gz NKUZBBALFZKCCX-NEPJUHHUSA-N 1 2 250.273 1.169 20 30 CDEDLO N#Cc1ccc(O)c(C[NH+]2CC3(C2)CCCOC3)c1 ZINC001232675032 943356825 /nfs/dbraw/zinc/35/68/25/943356825.db2.gz KDQQPCGMFZQLBU-UHFFFAOYSA-N 1 2 258.321 1.876 20 30 CDEDLO CCOC(=O)c1nc[nH]c1C[NH+]1CCC(S)CC1 ZINC001232920451 943432882 /nfs/dbraw/zinc/43/28/82/943432882.db2.gz TXZRSHRBQBZBPV-UHFFFAOYSA-N 1 2 269.370 1.481 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC)SC ZINC001233691426 943641777 /nfs/dbraw/zinc/64/17/77/943641777.db2.gz AWCODRLQSXHEAN-RYUDHWBXSA-N 1 2 254.399 1.294 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC)SC ZINC001233691426 943641780 /nfs/dbraw/zinc/64/17/80/943641780.db2.gz AWCODRLQSXHEAN-RYUDHWBXSA-N 1 2 254.399 1.294 20 30 CDEDLO Cc1ncoc1C[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234186064 943768286 /nfs/dbraw/zinc/76/82/86/943768286.db2.gz CONNTEJWWBEHRZ-CQSZACIVSA-N 1 2 287.363 1.429 20 30 CDEDLO Cc1ncoc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234186064 943768290 /nfs/dbraw/zinc/76/82/90/943768290.db2.gz CONNTEJWWBEHRZ-CQSZACIVSA-N 1 2 287.363 1.429 20 30 CDEDLO COC1(CC(=O)N2CCC23C[NH+](CCCC#N)C3)CCC1 ZINC001277941573 944138814 /nfs/dbraw/zinc/13/88/14/944138814.db2.gz RGDZULFCFDQJEF-UHFFFAOYSA-N 1 2 291.395 1.536 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cncc(F)c2Cl)CC1 ZINC001235496973 944174336 /nfs/dbraw/zinc/17/43/36/944174336.db2.gz DJLKRBBRGRYNTN-UHFFFAOYSA-N 1 2 267.735 1.625 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cc(O)c(Br)cc1O ZINC001236765291 944562563 /nfs/dbraw/zinc/56/25/63/944562563.db2.gz MIRRDZRWHRNUEU-UHFFFAOYSA-N 1 2 294.148 1.929 20 30 CDEDLO C=CCN1CC[NH+](Cc2ccccc2OCCO)CC1 ZINC001237199039 944691795 /nfs/dbraw/zinc/69/17/95/944691795.db2.gz BNHQKQBFAPFJTK-UHFFFAOYSA-N 1 2 276.380 1.361 20 30 CDEDLO C=CCOC(=O)N1CCN(Cc2c[nH+]cn2CC)CC1 ZINC001237592038 944860884 /nfs/dbraw/zinc/86/08/84/944860884.db2.gz BEIRAIQQSOTLIU-UHFFFAOYSA-N 1 2 278.356 1.343 20 30 CDEDLO COC[C@H]1CC[N@@H+]1Cc1cn2cc(C#N)ccc2n1 ZINC001237612437 944886084 /nfs/dbraw/zinc/88/60/84/944886084.db2.gz YJGBUTVVLOBJMG-CYBMUJFWSA-N 1 2 256.309 1.427 20 30 CDEDLO COC[C@H]1CC[N@H+]1Cc1cn2cc(C#N)ccc2n1 ZINC001237612437 944886093 /nfs/dbraw/zinc/88/60/93/944886093.db2.gz YJGBUTVVLOBJMG-CYBMUJFWSA-N 1 2 256.309 1.427 20 30 CDEDLO Cc1cccc(C#N)c1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001237692872 944928725 /nfs/dbraw/zinc/92/87/25/944928725.db2.gz XGKYMMFYJPWGLB-UHFFFAOYSA-N 1 2 293.392 1.608 20 30 CDEDLO CCCCCCCCCOC(=O)NC[C@H]([NH3+])C(=O)OC ZINC001239320799 945410971 /nfs/dbraw/zinc/41/09/71/945410971.db2.gz BKYJFCQGUBNWCL-LBPRGKRZSA-N 1 2 288.388 1.964 20 30 CDEDLO C=C[C@H](COC)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC001255012912 947690003 /nfs/dbraw/zinc/69/00/03/947690003.db2.gz BWVOHXNHUGVSIC-OLZOCXBDSA-N 1 2 290.367 1.161 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]C[C@H](NC(=O)OC(C)(C)C)C(=O)OC ZINC001255154599 947756253 /nfs/dbraw/zinc/75/62/53/947756253.db2.gz JEICKWHPQDZWDQ-QWRGUYRKSA-N 1 2 299.371 1.335 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CO ZINC001255180210 947767981 /nfs/dbraw/zinc/76/79/81/947767981.db2.gz XXFKSAGGYYSWGK-YNEHKIRRSA-N 1 2 297.399 1.639 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CO ZINC001255180210 947767989 /nfs/dbraw/zinc/76/79/89/947767989.db2.gz XXFKSAGGYYSWGK-YNEHKIRRSA-N 1 2 297.399 1.639 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1CCOC(C)(C)C1 ZINC001255526870 947964403 /nfs/dbraw/zinc/96/44/03/947964403.db2.gz ARDIWKJRLLKULE-UWVGGRQHSA-N 1 2 261.387 1.395 20 30 CDEDLO N#Cc1ccc(F)c(-c2noc([C@@H](CO)n3cc[nH+]c3)n2)c1 ZINC001247260307 948609452 /nfs/dbraw/zinc/60/94/52/948609452.db2.gz FSYAULOTKJIHKH-GFCCVEGCSA-N 1 2 299.265 1.526 20 30 CDEDLO C=CCOc1ccc(-c2noc([C@H]([NH3+])CO)n2)c(F)c1 ZINC001247492745 948648430 /nfs/dbraw/zinc/64/84/30/948648430.db2.gz IQCCAWIDRZNQOP-LLVKDONJSA-N 1 2 279.271 1.433 20 30 CDEDLO N#Cc1ccc(-c2noc([C@@H]([NH3+])c3ccc(O)cc3)n2)nc1 ZINC001247825897 948798846 /nfs/dbraw/zinc/79/88/46/948798846.db2.gz NYDPNOLDDOLEDX-ZDUSSCGKSA-N 1 2 293.286 1.757 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c(Cl)ccnc2OC)CC1 ZINC001248795235 949159107 /nfs/dbraw/zinc/15/91/07/949159107.db2.gz WCVHSFFJIOYZOM-UHFFFAOYSA-N 1 2 279.771 1.494 20 30 CDEDLO CN1CCC[N@H+](Cc2cc3ccc(C#N)cc3[nH]2)CC1=O ZINC001249428925 949599564 /nfs/dbraw/zinc/59/95/64/949599564.db2.gz HHMNQTCLVHCNKP-UHFFFAOYSA-N 1 2 282.347 1.704 20 30 CDEDLO CN1CCC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)CC1=O ZINC001249428925 949599571 /nfs/dbraw/zinc/59/95/71/949599571.db2.gz HHMNQTCLVHCNKP-UHFFFAOYSA-N 1 2 282.347 1.704 20 30 CDEDLO C=CCOC[C@@H](O)CNc1c[nH+]ccc1OCC ZINC001252454630 951294579 /nfs/dbraw/zinc/29/45/79/951294579.db2.gz RKZUAHHPMRNJIW-NSHDSACASA-N 1 2 252.314 1.456 20 30 CDEDLO C=CCOC[C@H](O)CNc1cccc(Cn2cc[nH+]c2)c1 ZINC001252476521 951334765 /nfs/dbraw/zinc/33/47/65/951334765.db2.gz OGJOUZKKHGPMJF-MRXNPFEDSA-N 1 2 287.363 1.907 20 30 CDEDLO C=CCOC[C@@H](O)C[NH2+][C@H](C(=O)OCC)[C@@H](C)CC ZINC001252488875 951357382 /nfs/dbraw/zinc/35/73/82/951357382.db2.gz VAWVCCLMGYPOFY-AVGNSLFASA-N 1 2 273.373 1.117 20 30 CDEDLO C=CCOC[C@H](O)C[NH2+]C1(C(=O)OC)CCC(CC)CC1 ZINC001252489985 951361200 /nfs/dbraw/zinc/36/12/00/951361200.db2.gz BSGVLPPKYFJSGK-NPCAHTBFSA-N 1 2 299.411 1.652 20 30 CDEDLO C=C[C@](C)(O)C[NH2+]C1(c2ccccc2OC)COC1 ZINC001252578684 951472536 /nfs/dbraw/zinc/47/25/36/951472536.db2.gz GKHOQXSVSLPUQL-AWEZNQCLSA-N 1 2 263.337 1.447 20 30 CDEDLO CC[N@H+](CCC#N)C[C@@H](O)COc1ccccc1OC ZINC001252885895 951698865 /nfs/dbraw/zinc/69/88/65/951698865.db2.gz VFRUQGJMAIBTHR-CYBMUJFWSA-N 1 2 278.352 1.670 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@@H](O)COc1ccccc1OC ZINC001252885895 951698871 /nfs/dbraw/zinc/69/88/71/951698871.db2.gz VFRUQGJMAIBTHR-CYBMUJFWSA-N 1 2 278.352 1.670 20 30 CDEDLO COc1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1C#N ZINC001363190753 971958465 /nfs/dbraw/zinc/95/84/65/971958465.db2.gz KSELRPIENGRQCH-UHFFFAOYSA-N 1 2 270.292 1.861 20 30 CDEDLO N#Cc1ccc(CNC(=O)NCc2ccc[nH+]c2N)cc1 ZINC001364216374 954334684 /nfs/dbraw/zinc/33/46/84/954334684.db2.gz NUHGCSOQEUGMCC-UHFFFAOYSA-N 1 2 281.319 1.535 20 30 CDEDLO C=C[C@@H](C)ONC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001327282977 954811846 /nfs/dbraw/zinc/81/18/46/954811846.db2.gz NYPIHLMMNJUQQX-OLZOCXBDSA-N 1 2 292.383 1.890 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1nc(-c2cc(C)ccn2)no1 ZINC001328001059 955154625 /nfs/dbraw/zinc/15/46/25/955154625.db2.gz MWTLMTVGDVOBBW-UHFFFAOYSA-N 1 2 286.335 1.522 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1nc(-c2cc(C)ccn2)no1 ZINC001328001059 955154633 /nfs/dbraw/zinc/15/46/33/955154633.db2.gz MWTLMTVGDVOBBW-UHFFFAOYSA-N 1 2 286.335 1.522 20 30 CDEDLO COC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001422292628 955921199 /nfs/dbraw/zinc/92/11/99/955921199.db2.gz OILLDFRXIGMRJC-KGLIPLIRSA-N 1 2 274.320 1.229 20 30 CDEDLO COC(=O)[C@H]1CCC[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001422292628 955921205 /nfs/dbraw/zinc/92/12/05/955921205.db2.gz OILLDFRXIGMRJC-KGLIPLIRSA-N 1 2 274.320 1.229 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H](C)n1cccn1 ZINC001366604721 957026720 /nfs/dbraw/zinc/02/67/20/957026720.db2.gz FUBNLIVLQOVQDU-GFCCVEGCSA-N 1 2 284.791 1.635 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H](C)n1cccn1 ZINC001366604721 957026736 /nfs/dbraw/zinc/02/67/36/957026736.db2.gz FUBNLIVLQOVQDU-GFCCVEGCSA-N 1 2 284.791 1.635 20 30 CDEDLO C#CCCCCNC(=O)C(=O)NCc1c[nH+]c(C)cc1C ZINC001331628993 957175288 /nfs/dbraw/zinc/17/52/88/957175288.db2.gz IESHHOSWZHYCBE-UHFFFAOYSA-N 1 2 287.363 1.234 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCn2cccn2)C1 ZINC001494525377 972248438 /nfs/dbraw/zinc/24/84/38/972248438.db2.gz KKCTZUYUDRWXDQ-UHFFFAOYSA-N 1 2 282.775 1.074 20 30 CDEDLO COCC[C@@](C)(C#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001332539427 957614105 /nfs/dbraw/zinc/61/41/05/957614105.db2.gz XYMBOHPNXQWSCZ-AAEUAGOBSA-N 1 2 264.329 1.269 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(CC)nn1C ZINC001367848955 958431987 /nfs/dbraw/zinc/43/19/87/958431987.db2.gz LCMMREJIBDZGJU-NSHDSACASA-N 1 2 298.818 1.785 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc(CC)nn1C ZINC001367848955 958431997 /nfs/dbraw/zinc/43/19/97/958431997.db2.gz LCMMREJIBDZGJU-NSHDSACASA-N 1 2 298.818 1.785 20 30 CDEDLO Cc1ccn(C[N@@H+]2CCC[C@H](CF)C2)c(=O)c1C#N ZINC001333803895 958611248 /nfs/dbraw/zinc/61/12/48/958611248.db2.gz BYUBNAGCNPEINY-GFCCVEGCSA-N 1 2 263.316 1.667 20 30 CDEDLO Cc1ccn(C[N@H+]2CCC[C@H](CF)C2)c(=O)c1C#N ZINC001333803895 958611256 /nfs/dbraw/zinc/61/12/56/958611256.db2.gz BYUBNAGCNPEINY-GFCCVEGCSA-N 1 2 263.316 1.667 20 30 CDEDLO C#CC[N@H+](CC1CC1)CN1C(=O)NC2(CCCCC2)C1=O ZINC001319675430 958683166 /nfs/dbraw/zinc/68/31/66/958683166.db2.gz HVVIFEBGOKXJRP-UHFFFAOYSA-N 1 2 289.379 1.544 20 30 CDEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)NC2(CCCCC2)C1=O ZINC001319675430 958683172 /nfs/dbraw/zinc/68/31/72/958683172.db2.gz HVVIFEBGOKXJRP-UHFFFAOYSA-N 1 2 289.379 1.544 20 30 CDEDLO CCOC(=O)C1([NH2+]CCO[C@@H](C)C#N)CCCC1 ZINC001321299906 959705589 /nfs/dbraw/zinc/70/55/89/959705589.db2.gz XCURIQBEGATRQY-NSHDSACASA-N 1 2 254.330 1.381 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)COc2cc(C)on2)C1 ZINC001369985285 959947449 /nfs/dbraw/zinc/94/74/49/959947449.db2.gz HVSRBRQLAKBWBT-NSHDSACASA-N 1 2 299.758 1.305 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)COc2cc(C)on2)C1 ZINC001369985285 959947462 /nfs/dbraw/zinc/94/74/62/959947462.db2.gz HVSRBRQLAKBWBT-NSHDSACASA-N 1 2 299.758 1.305 20 30 CDEDLO C[NH+](C)Cc1nnc(CCc2ccc(C#N)cc2)o1 ZINC001322400667 960206695 /nfs/dbraw/zinc/20/66/95/960206695.db2.gz VJSOLDMBUTWXKL-UHFFFAOYSA-N 1 2 256.309 1.788 20 30 CDEDLO Cc1nc([C@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@@H](C)C#N)C2)no1 ZINC001418690668 960913178 /nfs/dbraw/zinc/91/31/78/960913178.db2.gz WYCRQWVWCLGBQE-QSFUFRPTSA-N 1 2 291.355 1.083 20 30 CDEDLO C=C[C@@H](COC)NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC001338161659 961661956 /nfs/dbraw/zinc/66/19/56/961661956.db2.gz FPOINDZWTHDHLR-STQMWFEESA-N 1 2 278.356 1.431 20 30 CDEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@H](C)CC#N ZINC001339090899 962166106 /nfs/dbraw/zinc/16/61/06/962166106.db2.gz IAPVRMMSTAKVJG-GFCCVEGCSA-N 1 2 299.382 1.527 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1nccn1C ZINC001420616538 963126748 /nfs/dbraw/zinc/12/67/48/963126748.db2.gz LMGSJGUOILIDHO-GFCCVEGCSA-N 1 2 298.818 1.542 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCc1nccn1C ZINC001420616538 963126752 /nfs/dbraw/zinc/12/67/52/963126752.db2.gz LMGSJGUOILIDHO-GFCCVEGCSA-N 1 2 298.818 1.542 20 30 CDEDLO Cc1cnc(C[N@@H+](CCNC(=O)[C@H](C)C#N)C2CC2)cn1 ZINC001437777111 963176504 /nfs/dbraw/zinc/17/65/04/963176504.db2.gz FBEKPSNTKAKAMK-LLVKDONJSA-N 1 2 287.367 1.025 20 30 CDEDLO Cc1cnc(C[N@H+](CCNC(=O)[C@H](C)C#N)C2CC2)cn1 ZINC001437777111 963176511 /nfs/dbraw/zinc/17/65/11/963176511.db2.gz FBEKPSNTKAKAMK-LLVKDONJSA-N 1 2 287.367 1.025 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCn1cc(C)cn1 ZINC001438939986 963607425 /nfs/dbraw/zinc/60/74/25/963607425.db2.gz WVYLYPVAJAIPKP-UHFFFAOYSA-N 1 2 298.818 1.724 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCn1cc(C)cn1 ZINC001438939986 963607426 /nfs/dbraw/zinc/60/74/26/963607426.db2.gz WVYLYPVAJAIPKP-UHFFFAOYSA-N 1 2 298.818 1.724 20 30 CDEDLO C=C[C@H](CC)CC(=O)O[C@@H](COC)C[N@@H+]1CCO[C@@H](C)C1 ZINC001343759715 964133696 /nfs/dbraw/zinc/13/36/96/964133696.db2.gz GGCFQZARNAWLFF-RRFJBIMHSA-N 1 2 299.411 1.868 20 30 CDEDLO C=C[C@H](CC)CC(=O)O[C@@H](COC)C[N@H+]1CCO[C@@H](C)C1 ZINC001343759715 964133701 /nfs/dbraw/zinc/13/37/01/964133701.db2.gz GGCFQZARNAWLFF-RRFJBIMHSA-N 1 2 299.411 1.868 20 30 CDEDLO C=C(CC)CNC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC001345247932 964642950 /nfs/dbraw/zinc/64/29/50/964642950.db2.gz WSIJYFLJYAFWAQ-UHFFFAOYSA-N 1 2 290.367 1.082 20 30 CDEDLO COCCC(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001442336184 964990875 /nfs/dbraw/zinc/99/08/75/964990875.db2.gz ZNWRUKRGUOPNQT-UHFFFAOYSA-N 1 2 293.342 1.282 20 30 CDEDLO COCCC(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001442336184 964990884 /nfs/dbraw/zinc/99/08/84/964990884.db2.gz ZNWRUKRGUOPNQT-UHFFFAOYSA-N 1 2 293.342 1.282 20 30 CDEDLO Cc1cc(CNC(=O)c2ccc(C#N)[nH]2)cc(C)[nH+]1 ZINC001557079473 965141011 /nfs/dbraw/zinc/14/10/11/965141011.db2.gz XOGBSAQXFCKIKS-UHFFFAOYSA-N 1 2 254.293 1.828 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)CCc1nc[nH]n1 ZINC001447328566 966754913 /nfs/dbraw/zinc/75/49/13/966754913.db2.gz DPCQRBXQGNHCSE-UHFFFAOYSA-N 1 2 299.806 1.270 20 30 CDEDLO C=CCn1nnnc1N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC001354293799 968613732 /nfs/dbraw/zinc/61/37/32/968613732.db2.gz OVYIWPUEEXEQRN-ZDUSSCGKSA-N 1 2 299.382 1.137 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C(C)(F)F ZINC001498211643 973748024 /nfs/dbraw/zinc/74/80/24/973748024.db2.gz AOUGWZXSBYJMAS-MRVPVSSYSA-N 1 2 254.708 1.831 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C(C)(F)F ZINC001498211643 973748027 /nfs/dbraw/zinc/74/80/27/973748027.db2.gz AOUGWZXSBYJMAS-MRVPVSSYSA-N 1 2 254.708 1.831 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CC[C@H]1CCOC1 ZINC001418451150 973850429 /nfs/dbraw/zinc/85/04/29/973850429.db2.gz UEICREJDINQCRL-LBPRGKRZSA-N 1 2 274.792 1.604 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CC[C@H]1CCOC1 ZINC001418451150 973850433 /nfs/dbraw/zinc/85/04/33/973850433.db2.gz UEICREJDINQCRL-LBPRGKRZSA-N 1 2 274.792 1.604 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)Cc1cc(C)on1 ZINC001377373802 974993563 /nfs/dbraw/zinc/99/35/63/974993563.db2.gz BWEUUQIQZOACIJ-ZDUSSCGKSA-N 1 2 297.786 1.859 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1cc(C)on1 ZINC001377373802 974993569 /nfs/dbraw/zinc/99/35/69/974993569.db2.gz BWEUUQIQZOACIJ-ZDUSSCGKSA-N 1 2 297.786 1.859 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)COCC2CC2)C1 ZINC001506590315 975184576 /nfs/dbraw/zinc/18/45/76/975184576.db2.gz LLKYWCORALSOCV-NSHDSACASA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)C(C)C)CC1 ZINC001404529803 975415773 /nfs/dbraw/zinc/41/57/73/975415773.db2.gz HJMDBUGPSOSBDH-UHFFFAOYSA-N 1 2 287.835 1.471 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)c1cnn(C)c1 ZINC001401474169 975677887 /nfs/dbraw/zinc/67/78/87/975677887.db2.gz OPNRBYSVDNXMFJ-LBPRGKRZSA-N 1 2 298.818 1.666 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](C)c1cnn(C)c1 ZINC001401474169 975677891 /nfs/dbraw/zinc/67/78/91/975677891.db2.gz OPNRBYSVDNXMFJ-LBPRGKRZSA-N 1 2 298.818 1.666 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cnnn1CC ZINC001379659017 975993126 /nfs/dbraw/zinc/99/31/26/975993126.db2.gz RGZIIGGPABEFOK-JTQLQIEISA-N 1 2 285.779 1.101 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cnnn1CC ZINC001379659017 975993133 /nfs/dbraw/zinc/99/31/33/975993133.db2.gz RGZIIGGPABEFOK-JTQLQIEISA-N 1 2 285.779 1.101 20 30 CDEDLO Cc1nnc([C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)o1 ZINC001402639757 976418641 /nfs/dbraw/zinc/41/86/41/976418641.db2.gz RMIJROJQTBPIKC-QWRGUYRKSA-N 1 2 293.371 1.379 20 30 CDEDLO Cc1nnc([C@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)o1 ZINC001402639757 976418647 /nfs/dbraw/zinc/41/86/47/976418647.db2.gz RMIJROJQTBPIKC-QWRGUYRKSA-N 1 2 293.371 1.379 20 30 CDEDLO C[N@H+](CCNC(=O)[C@@H]1CC1(F)F)Cc1ccccc1C#N ZINC001403531693 977033285 /nfs/dbraw/zinc/03/32/85/977033285.db2.gz CFSFKSJQJVBAIB-ZDUSSCGKSA-N 1 2 293.317 1.761 20 30 CDEDLO C[N@@H+](CCNC(=O)[C@@H]1CC1(F)F)Cc1ccccc1C#N ZINC001403531693 977033297 /nfs/dbraw/zinc/03/32/97/977033297.db2.gz CFSFKSJQJVBAIB-ZDUSSCGKSA-N 1 2 293.317 1.761 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(C)ncn1 ZINC001392648398 977528230 /nfs/dbraw/zinc/52/82/30/977528230.db2.gz PSZWWIPVLKXQTC-NSHDSACASA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc(C)ncn1 ZINC001392648398 977528237 /nfs/dbraw/zinc/52/82/37/977528237.db2.gz PSZWWIPVLKXQTC-NSHDSACASA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001132653428 1163416246 /nfs/dbraw/zinc/41/62/46/1163416246.db2.gz LMVRBENHTUITPR-QWRGUYRKSA-N 1 2 282.413 1.907 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[NH2+]Cc1nonc1C ZINC001132667172 1163431913 /nfs/dbraw/zinc/43/19/13/1163431913.db2.gz FXOBWKQEYKCLQM-LLVKDONJSA-N 1 2 266.345 1.186 20 30 CDEDLO CO[C@H]1C[NH2+][C@H](C(=O)Oc2ccc(C#N)c(C)c2)C1 ZINC001574010863 1170861669 /nfs/dbraw/zinc/86/16/69/1170861669.db2.gz STKBEXXLUDGIMH-OLZOCXBDSA-N 1 2 260.293 1.149 20 30 CDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CCCCCC#N ZINC000588166809 342493903 /nfs/dbraw/zinc/49/39/03/342493903.db2.gz VNPDKMWCVOUWJU-HUUCEWRRSA-N 1 2 293.411 1.782 20 30 CDEDLO CC[C@@H](F)C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000590013585 342520228 /nfs/dbraw/zinc/52/02/28/342520228.db2.gz HQDSVEYKZZPXHA-CYBMUJFWSA-N 1 2 262.332 1.823 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156247146 398145568 /nfs/dbraw/zinc/14/55/68/398145568.db2.gz AJAXMMLOFZOXAV-VXGBXAGGSA-N 1 2 260.341 1.454 20 30 CDEDLO C#CCN(CC#N)Cc1[nH+]ccn1CC(F)(F)F ZINC000491644820 342531568 /nfs/dbraw/zinc/53/15/68/342531568.db2.gz LWWWBPXNDFODHP-UHFFFAOYSA-N 1 2 256.231 1.404 20 30 CDEDLO C=CCN(CCC#N)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000590408738 342544276 /nfs/dbraw/zinc/54/42/76/342544276.db2.gz LIKSBZXNEMNPMX-LBPRGKRZSA-N 1 2 258.325 1.374 20 30 CDEDLO Cc1noc(C)c1C[NH+]1CCN(c2cncc(C#N)n2)CC1 ZINC000564893983 365544746 /nfs/dbraw/zinc/54/47/46/365544746.db2.gz RFWDFLCUXDSBHU-UHFFFAOYSA-N 1 2 298.350 1.275 20 30 CDEDLO N#Cc1nccc(Nc2ccc(N3CCCCC3)[nH+]c2)n1 ZINC000590570525 342577051 /nfs/dbraw/zinc/57/70/51/342577051.db2.gz WWLQZUSERAMFND-UHFFFAOYSA-N 1 2 280.335 1.899 20 30 CDEDLO Cc1ccc(C[N@H+](C)CC(=O)NC2(C#N)CCC2)nc1 ZINC000590754866 342587869 /nfs/dbraw/zinc/58/78/69/342587869.db2.gz WQCQMBDVDWGZMD-UHFFFAOYSA-N 1 2 272.352 1.384 20 30 CDEDLO Cc1ccc(C[N@@H+](C)CC(=O)NC2(C#N)CCC2)nc1 ZINC000590754866 342587870 /nfs/dbraw/zinc/58/78/70/342587870.db2.gz WQCQMBDVDWGZMD-UHFFFAOYSA-N 1 2 272.352 1.384 20 30 CDEDLO CC(C)C[C@@H](C#N)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000608854383 342078762 /nfs/dbraw/zinc/07/87/62/342078762.db2.gz YMGXIAKASPBZFW-LBPRGKRZSA-N 1 2 270.336 1.931 20 30 CDEDLO N#C[C@@]1(NC(=O)CCCn2cc[nH+]c2)CCSC1 ZINC000609168586 342092845 /nfs/dbraw/zinc/09/28/45/342092845.db2.gz DAWYRJACVXKWDI-LBPRGKRZSA-N 1 2 264.354 1.179 20 30 CDEDLO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592146543 342673484 /nfs/dbraw/zinc/67/34/84/342673484.db2.gz CRTJEULQVQNEDP-CZUORRHYSA-N 1 2 287.363 1.673 20 30 CDEDLO Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592146543 342673486 /nfs/dbraw/zinc/67/34/86/342673486.db2.gz CRTJEULQVQNEDP-CZUORRHYSA-N 1 2 287.363 1.673 20 30 CDEDLO N#CCC[N@@H+](Cc1ccco1)C[C@@H]1CNc2ccnn2C1 ZINC000619265820 342152709 /nfs/dbraw/zinc/15/27/09/342152709.db2.gz XANSEZDJRDIFJF-ZDUSSCGKSA-N 1 2 285.351 1.934 20 30 CDEDLO N#CCC[N@H+](Cc1ccco1)C[C@@H]1CNc2ccnn2C1 ZINC000619265820 342152710 /nfs/dbraw/zinc/15/27/10/342152710.db2.gz XANSEZDJRDIFJF-ZDUSSCGKSA-N 1 2 285.351 1.934 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2nncn2-c2ccccc2)C1 ZINC000592154212 342669596 /nfs/dbraw/zinc/66/95/96/342669596.db2.gz RRTQQFSBGVEAGD-HNNXBMFYSA-N 1 2 283.335 1.118 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2nncn2-c2ccccc2)C1 ZINC000592154212 342669597 /nfs/dbraw/zinc/66/95/97/342669597.db2.gz RRTQQFSBGVEAGD-HNNXBMFYSA-N 1 2 283.335 1.118 20 30 CDEDLO N#Cc1ccc(CNc2ccc(-n3cncn3)c[nH+]2)cc1 ZINC000616205068 342699858 /nfs/dbraw/zinc/69/98/58/342699858.db2.gz ZMGONCMFQQNZKM-UHFFFAOYSA-N 1 2 276.303 1.568 20 30 CDEDLO CC[C@H]1COC(C)(C)C[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000593057723 342760281 /nfs/dbraw/zinc/76/02/81/342760281.db2.gz WRBXCBGAIAAUOB-XJKSGUPXSA-N 1 2 295.427 1.930 20 30 CDEDLO CC[C@H]1COC(C)(C)C[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000593057723 342760282 /nfs/dbraw/zinc/76/02/82/342760282.db2.gz WRBXCBGAIAAUOB-XJKSGUPXSA-N 1 2 295.427 1.930 20 30 CDEDLO C=CCOCCN1CCc2[nH+]c[nH]c2[C@H]1c1ccnn1C ZINC000625497734 342175106 /nfs/dbraw/zinc/17/51/06/342175106.db2.gz ZGXOTXICWISGDE-OAHLLOKOSA-N 1 2 287.367 1.293 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1cc2ccccc2o1 ZINC000593155261 342774551 /nfs/dbraw/zinc/77/45/51/342774551.db2.gz GUTPAYYSAFNLQE-INIZCTEOSA-N 1 2 285.347 1.935 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCn2nncc2C1 ZINC000594018912 342866698 /nfs/dbraw/zinc/86/66/98/342866698.db2.gz SJGPWGVKWJUNTI-UHFFFAOYSA-N 1 2 269.308 1.174 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCn2nncc2C1 ZINC000594018912 342866699 /nfs/dbraw/zinc/86/66/99/342866699.db2.gz SJGPWGVKWJUNTI-UHFFFAOYSA-N 1 2 269.308 1.174 20 30 CDEDLO COCC[N@H+](C)Cc1cn(-c2ccc(C#N)cc2)nn1 ZINC000594651245 342932891 /nfs/dbraw/zinc/93/28/91/342932891.db2.gz GXEYHPOAPRVVRL-UHFFFAOYSA-N 1 2 271.324 1.217 20 30 CDEDLO COCC[N@@H+](C)Cc1cn(-c2ccc(C#N)cc2)nn1 ZINC000594651245 342932893 /nfs/dbraw/zinc/93/28/93/342932893.db2.gz GXEYHPOAPRVVRL-UHFFFAOYSA-N 1 2 271.324 1.217 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N[C@H](C)Cn1cc[nH+]c1)OCC ZINC000270048564 190591053 /nfs/dbraw/zinc/59/10/53/190591053.db2.gz QPOOBCZDYYSHGU-CHWSQXEVSA-N 1 2 265.357 1.759 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595444655 343063483 /nfs/dbraw/zinc/06/34/83/343063483.db2.gz PGUJXAGAFHXLSZ-KBPBESRZSA-N 1 2 294.399 1.042 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595545962 343083630 /nfs/dbraw/zinc/08/36/30/343083630.db2.gz BYTTXUSOHCTOSP-UHFFFAOYSA-N 1 2 274.280 1.287 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595545962 343083632 /nfs/dbraw/zinc/08/36/32/343083632.db2.gz BYTTXUSOHCTOSP-UHFFFAOYSA-N 1 2 274.280 1.287 20 30 CDEDLO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595617137 343110824 /nfs/dbraw/zinc/11/08/24/343110824.db2.gz VCIFWOPQYNWUDL-VXGBXAGGSA-N 1 2 273.340 1.429 20 30 CDEDLO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595617137 343110825 /nfs/dbraw/zinc/11/08/25/343110825.db2.gz VCIFWOPQYNWUDL-VXGBXAGGSA-N 1 2 273.340 1.429 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000619551259 349799157 /nfs/dbraw/zinc/79/91/57/349799157.db2.gz LGTSNEIDULZXDK-UHFFFAOYSA-N 1 2 283.287 1.758 20 30 CDEDLO Cn1ncc(C#N)c1NCCCNc1cccc[nH+]1 ZINC000596080870 343220003 /nfs/dbraw/zinc/22/00/03/343220003.db2.gz NZVQJCVXPRPRFU-UHFFFAOYSA-N 1 2 256.313 1.601 20 30 CDEDLO N#Cc1nccc(NCC2CC[NH+](CC(F)F)CC2)n1 ZINC000596240141 343284305 /nfs/dbraw/zinc/28/43/05/343284305.db2.gz VKQJBSRTFIRRTP-UHFFFAOYSA-N 1 2 281.310 1.159 20 30 CDEDLO N#Cc1cccc(N(CC[NH+]2CCOCC2)CC2CC2)n1 ZINC000596517976 343340378 /nfs/dbraw/zinc/34/03/78/343340378.db2.gz RXWGQPQOTFWBDW-UHFFFAOYSA-N 1 2 286.379 1.502 20 30 CDEDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1cc(C#N)cs1 ZINC000092042487 342410168 /nfs/dbraw/zinc/41/01/68/342410168.db2.gz VYYOMPAUGYDXLI-KOLCDFICSA-N 1 2 252.339 1.201 20 30 CDEDLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1cc(C#N)cs1 ZINC000092042487 342410169 /nfs/dbraw/zinc/41/01/69/342410169.db2.gz VYYOMPAUGYDXLI-KOLCDFICSA-N 1 2 252.339 1.201 20 30 CDEDLO N#CCCN(CCC#N)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000596892477 343410230 /nfs/dbraw/zinc/41/02/30/343410230.db2.gz FGYWUONJOFDNLG-LBPRGKRZSA-N 1 2 271.324 1.101 20 30 CDEDLO COCC[N@H+](CCC#N)CCc1scnc1C ZINC000072689684 349811741 /nfs/dbraw/zinc/81/17/41/349811741.db2.gz NQKYQMIJGLLIPM-UHFFFAOYSA-N 1 2 253.371 1.856 20 30 CDEDLO COCC[N@@H+](CCC#N)CCc1scnc1C ZINC000072689684 349811743 /nfs/dbraw/zinc/81/17/43/349811743.db2.gz NQKYQMIJGLLIPM-UHFFFAOYSA-N 1 2 253.371 1.856 20 30 CDEDLO Cc1ccc(C#N)c(N2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000127551207 136386604 /nfs/dbraw/zinc/38/66/04/136386604.db2.gz JZPYKCUHASLKNX-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)NC2CC(C(F)(F)F)C2)C1 ZINC000329238676 529782392 /nfs/dbraw/zinc/78/23/92/529782392.db2.gz LICZFVYAOAURNB-RTBKNWGFSA-N 1 2 295.305 1.162 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNC(=O)NC2CC(C(F)(F)F)C2)C1 ZINC000329238676 529782393 /nfs/dbraw/zinc/78/23/93/529782393.db2.gz LICZFVYAOAURNB-RTBKNWGFSA-N 1 2 295.305 1.162 20 30 CDEDLO C=CCCSCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000597968345 343686773 /nfs/dbraw/zinc/68/67/73/343686773.db2.gz FHEQPIUHPUMVBH-GFCCVEGCSA-N 1 2 279.409 1.871 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(Oc2cc(C)ccn2)CC1 ZINC000619720392 349870398 /nfs/dbraw/zinc/87/03/98/349870398.db2.gz HPYTZPSFJVFIDU-CQSZACIVSA-N 1 2 290.363 1.961 20 30 CDEDLO C[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C[C@H]1CO ZINC000598651705 343858635 /nfs/dbraw/zinc/85/86/35/343858635.db2.gz UUMHWLWIZNKBIU-PWSUYJOCSA-N 1 2 293.392 1.509 20 30 CDEDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C[C@H]1CO ZINC000598651705 343858636 /nfs/dbraw/zinc/85/86/36/343858636.db2.gz UUMHWLWIZNKBIU-PWSUYJOCSA-N 1 2 293.392 1.509 20 30 CDEDLO COc1cccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1C ZINC000598836281 343914513 /nfs/dbraw/zinc/91/45/13/343914513.db2.gz FKEPOLZTFOLDKV-HNNXBMFYSA-N 1 2 275.352 1.577 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc2c(c1)CCOC2 ZINC000598836902 343915226 /nfs/dbraw/zinc/91/52/26/343915226.db2.gz RPWHEZWGRDNEPJ-MRXNPFEDSA-N 1 2 287.363 1.333 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCc2[nH+]c[nH]c2C1 ZINC000599430533 344056611 /nfs/dbraw/zinc/05/66/11/344056611.db2.gz VPLNPEAUVLKIGU-IAQYHMDHSA-N 1 2 289.383 1.211 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC000599669753 344125415 /nfs/dbraw/zinc/12/54/15/344125415.db2.gz PVZJOSDGXPCRLD-CQSZACIVSA-N 1 2 288.347 1.061 20 30 CDEDLO C=CCNC(=O)C[N@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC000599669753 344125418 /nfs/dbraw/zinc/12/54/18/344125418.db2.gz PVZJOSDGXPCRLD-CQSZACIVSA-N 1 2 288.347 1.061 20 30 CDEDLO CC[C@@H](C)[C@@H](C[N@H+](CCC#N)CCN1CCOCC1)OC ZINC000602423760 344420838 /nfs/dbraw/zinc/42/08/38/344420838.db2.gz GCQQDFUPULDXSE-HZPDHXFCSA-N 1 2 297.443 1.595 20 30 CDEDLO CC[C@@H](C)[C@@H](C[N@@H+](CCC#N)CCN1CCOCC1)OC ZINC000602423760 344420840 /nfs/dbraw/zinc/42/08/40/344420840.db2.gz GCQQDFUPULDXSE-HZPDHXFCSA-N 1 2 297.443 1.595 20 30 CDEDLO CC[C@@H](C)[C@@H](CN(CCC#N)CC[NH+]1CCOCC1)OC ZINC000602423760 344420841 /nfs/dbraw/zinc/42/08/41/344420841.db2.gz GCQQDFUPULDXSE-HZPDHXFCSA-N 1 2 297.443 1.595 20 30 CDEDLO Cc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(F)c1F ZINC000602331393 344401704 /nfs/dbraw/zinc/40/17/04/344401704.db2.gz CNPUZZGZVSHJPY-AWEZNQCLSA-N 1 2 281.306 1.847 20 30 CDEDLO N#CCC1(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000602767943 344574309 /nfs/dbraw/zinc/57/43/09/344574309.db2.gz OUBHNKMLTVIMNL-CYBMUJFWSA-N 1 2 277.368 1.003 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000602860703 344616555 /nfs/dbraw/zinc/61/65/55/344616555.db2.gz FJNUYQQAMPBBOB-MJBXVCDLSA-N 1 2 281.400 1.590 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC#CCN1C(=O)c2ccccc2C1=O ZINC000602869606 344640507 /nfs/dbraw/zinc/64/05/07/344640507.db2.gz GURPJJVSFVMMKO-GFCCVEGCSA-N 1 2 281.315 1.178 20 30 CDEDLO CCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164363 347066710 /nfs/dbraw/zinc/06/67/10/347066710.db2.gz DZCPOHMYAHRAOY-JSGCOSHPSA-N 1 2 251.374 1.917 20 30 CDEDLO CCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164363 347066713 /nfs/dbraw/zinc/06/67/13/347066713.db2.gz DZCPOHMYAHRAOY-JSGCOSHPSA-N 1 2 251.374 1.917 20 30 CDEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)CC2(O)CCCCC2)C1 ZINC000329972307 530070198 /nfs/dbraw/zinc/07/01/98/530070198.db2.gz YCFWUWPPJQFWAK-ZDUSSCGKSA-N 1 2 283.416 1.274 20 30 CDEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CC2(O)CCCCC2)C1 ZINC000329972307 530070199 /nfs/dbraw/zinc/07/01/99/530070199.db2.gz YCFWUWPPJQFWAK-ZDUSSCGKSA-N 1 2 283.416 1.274 20 30 CDEDLO COc1cc(C#N)ccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000120560452 362496219 /nfs/dbraw/zinc/49/62/19/362496219.db2.gz FKWOSTCPTIAFJE-UHFFFAOYSA-N 1 2 273.336 1.231 20 30 CDEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2cccnc2)CC1 ZINC000609485605 344915175 /nfs/dbraw/zinc/91/51/75/344915175.db2.gz TUFMWZQHBQWULE-OAHLLOKOSA-N 1 2 258.369 1.747 20 30 CDEDLO CC(C)CNC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609486648 344915687 /nfs/dbraw/zinc/91/56/87/344915687.db2.gz OKOVDECMBGWEDA-HUUCEWRRSA-N 1 2 294.443 1.313 20 30 CDEDLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CCOc1cccc(C#N)c1 ZINC000129225448 362535880 /nfs/dbraw/zinc/53/58/80/362535880.db2.gz IUIAPSWNFPOGKB-SWLSCSKDSA-N 1 2 276.336 1.019 20 30 CDEDLO C[C@H]1CO[C@@H](CO)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000129225448 362535887 /nfs/dbraw/zinc/53/58/87/362535887.db2.gz IUIAPSWNFPOGKB-SWLSCSKDSA-N 1 2 276.336 1.019 20 30 CDEDLO CN(CC[NH+]1CCOCC1)[C@@H](C#N)c1ccccc1 ZINC000041345201 345227106 /nfs/dbraw/zinc/22/71/06/345227106.db2.gz ANPXQPSQUKOYFN-HNNXBMFYSA-N 1 2 259.353 1.515 20 30 CDEDLO Cc1noc(C[N@H+](C)CCOc2cccc(C#N)c2)n1 ZINC000609540822 345596048 /nfs/dbraw/zinc/59/60/48/345596048.db2.gz KABUZDXCCONKTP-UHFFFAOYSA-N 1 2 272.308 1.761 20 30 CDEDLO Cc1noc(C[N@@H+](C)CCOc2cccc(C#N)c2)n1 ZINC000609540822 345596051 /nfs/dbraw/zinc/59/60/51/345596051.db2.gz KABUZDXCCONKTP-UHFFFAOYSA-N 1 2 272.308 1.761 20 30 CDEDLO C=CCN(C(=O)CCc1[nH]cc[nH+]1)[C@H](C)COC ZINC000617582665 345868218 /nfs/dbraw/zinc/86/82/18/345868218.db2.gz RRFOJWAARREFHB-LLVKDONJSA-N 1 2 251.330 1.392 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000610395709 346270832 /nfs/dbraw/zinc/27/08/32/346270832.db2.gz TYBYFCNLAQPRQR-VIFPVBQESA-N 1 2 262.269 1.425 20 30 CDEDLO CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)c1cccc(C#N)c1 ZINC000611012021 346576548 /nfs/dbraw/zinc/57/65/48/346576548.db2.gz GDZCQGIFDNBEFJ-CYBMUJFWSA-N 1 2 280.331 1.980 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cnco3)CC2)cc1 ZINC000611142672 346620272 /nfs/dbraw/zinc/62/02/72/346620272.db2.gz PKBBASYFPNEMBF-UHFFFAOYSA-N 1 2 296.330 1.504 20 30 CDEDLO Cc1noc(C)c1C[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000611430648 346787684 /nfs/dbraw/zinc/78/76/84/346787684.db2.gz VYWXAOWVLRJZAH-UHFFFAOYSA-N 1 2 274.368 1.713 20 30 CDEDLO COC(=O)c1cn([C@H]2CCC[N@H+](CC3(C#N)CC3)C2)nn1 ZINC000613024010 347377886 /nfs/dbraw/zinc/37/78/86/347377886.db2.gz DXABOXDCEFNTCX-NSHDSACASA-N 1 2 289.339 1.005 20 30 CDEDLO COC(=O)c1cn([C@H]2CCC[N@@H+](CC3(C#N)CC3)C2)nn1 ZINC000613024010 347377890 /nfs/dbraw/zinc/37/78/90/347377890.db2.gz DXABOXDCEFNTCX-NSHDSACASA-N 1 2 289.339 1.005 20 30 CDEDLO C#CC[N@@H+]([C@@H]1CCS(=O)(=O)C1)[C@H]1C=CCCC1 ZINC000066538720 347490071 /nfs/dbraw/zinc/49/00/71/347490071.db2.gz MLAGWKUHFIHQOR-QWHCGFSZSA-N 1 2 253.367 1.217 20 30 CDEDLO C#CC[N@H+]([C@@H]1CCS(=O)(=O)C1)[C@H]1C=CCCC1 ZINC000066538720 347490073 /nfs/dbraw/zinc/49/00/73/347490073.db2.gz MLAGWKUHFIHQOR-QWHCGFSZSA-N 1 2 253.367 1.217 20 30 CDEDLO C=C[C@H](O)C(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000614522231 348134419 /nfs/dbraw/zinc/13/44/19/348134419.db2.gz FXOAZAKXTYGRDR-STQMWFEESA-N 1 2 280.755 1.360 20 30 CDEDLO C=C[C@H](C(=O)OC)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000619719157 348190308 /nfs/dbraw/zinc/19/03/08/348190308.db2.gz AYBHFJZAOGZRBX-CQSZACIVSA-N 1 2 293.367 1.137 20 30 CDEDLO C=CCOc1ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000414155823 362924599 /nfs/dbraw/zinc/92/45/99/362924599.db2.gz VPCOCLSGEDTRDQ-CQSZACIVSA-N 1 2 290.363 1.837 20 30 CDEDLO C=CCOc1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000414155823 362924607 /nfs/dbraw/zinc/92/46/07/362924607.db2.gz VPCOCLSGEDTRDQ-CQSZACIVSA-N 1 2 290.363 1.837 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000615741625 348656151 /nfs/dbraw/zinc/65/61/51/348656151.db2.gz CCXPLEWMEXTLFW-GFCCVEGCSA-N 1 2 296.330 1.964 20 30 CDEDLO C=CC[N@@H+](CC(=O)NCC)Cc1cccc(C#N)c1 ZINC000063388315 348922801 /nfs/dbraw/zinc/92/28/01/348922801.db2.gz MSQKOIJICOFDNZ-UHFFFAOYSA-N 1 2 257.337 1.682 20 30 CDEDLO C=CC[N@H+](CC(=O)NCC)Cc1cccc(C#N)c1 ZINC000063388315 348922802 /nfs/dbraw/zinc/92/28/02/348922802.db2.gz MSQKOIJICOFDNZ-UHFFFAOYSA-N 1 2 257.337 1.682 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)n1 ZINC000602474388 350112351 /nfs/dbraw/zinc/11/23/51/350112351.db2.gz VLRQPPMYVVJTBB-NSHDSACASA-N 1 2 271.242 1.452 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)n1 ZINC000602474388 350112353 /nfs/dbraw/zinc/11/23/53/350112353.db2.gz VLRQPPMYVVJTBB-NSHDSACASA-N 1 2 271.242 1.452 20 30 CDEDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602685311 350141977 /nfs/dbraw/zinc/14/19/77/350141977.db2.gz FSEDGUXUKYZAAT-CQSZACIVSA-N 1 2 287.367 1.189 20 30 CDEDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602685311 350141979 /nfs/dbraw/zinc/14/19/79/350141979.db2.gz FSEDGUXUKYZAAT-CQSZACIVSA-N 1 2 287.367 1.189 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000110489847 186299140 /nfs/dbraw/zinc/29/91/40/186299140.db2.gz OQUCRDRLVDSUJM-LLVKDONJSA-N 1 2 276.296 1.209 20 30 CDEDLO C[N@H+]1CCO[C@H](CNc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000110489847 186299142 /nfs/dbraw/zinc/29/91/42/186299142.db2.gz OQUCRDRLVDSUJM-LLVKDONJSA-N 1 2 276.296 1.209 20 30 CDEDLO Cc1cc(C)n([C@@H](C)CC(=O)N[C@@](C)(C#N)C[NH+](C)C)n1 ZINC000573854168 334971912 /nfs/dbraw/zinc/97/19/12/334971912.db2.gz QJHNBYYOGPIAJP-ZFWWWQNUSA-N 1 2 291.399 1.411 20 30 CDEDLO C#CCOc1ccc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000157614839 188328205 /nfs/dbraw/zinc/32/82/05/188328205.db2.gz PILISGXKNUIPJZ-CQSZACIVSA-N 1 2 293.388 1.318 20 30 CDEDLO C#CCOc1ccc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000157614839 188328206 /nfs/dbraw/zinc/32/82/06/188328206.db2.gz PILISGXKNUIPJZ-CQSZACIVSA-N 1 2 293.388 1.318 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1ccc(F)c(F)c1 ZINC000493191488 366196732 /nfs/dbraw/zinc/19/67/32/366196732.db2.gz UJBBHWMSUVRDQT-ZQMJAJRESA-N 1 2 293.317 1.938 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cc1F ZINC000336087301 283141083 /nfs/dbraw/zinc/14/10/83/283141083.db2.gz LHKOHSHWGOJDPX-CYBMUJFWSA-N 1 2 273.311 1.504 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)cc1F ZINC000336087301 283141088 /nfs/dbraw/zinc/14/10/88/283141088.db2.gz LHKOHSHWGOJDPX-CYBMUJFWSA-N 1 2 273.311 1.504 20 30 CDEDLO C[C@@H]1[C@H](O)CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000590762393 358511921 /nfs/dbraw/zinc/51/19/21/358511921.db2.gz SMBADEAWOMIABA-NOZJJQNGSA-N 1 2 293.754 1.605 20 30 CDEDLO C[C@@H]1[C@H](O)CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000590762393 358511923 /nfs/dbraw/zinc/51/19/23/358511923.db2.gz SMBADEAWOMIABA-NOZJJQNGSA-N 1 2 293.754 1.605 20 30 CDEDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000234098460 356915234 /nfs/dbraw/zinc/91/52/34/356915234.db2.gz WYMHXYRDAAOUQD-CYBMUJFWSA-N 1 2 273.336 1.277 20 30 CDEDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000234098460 356915239 /nfs/dbraw/zinc/91/52/39/356915239.db2.gz WYMHXYRDAAOUQD-CYBMUJFWSA-N 1 2 273.336 1.277 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000298825394 356932681 /nfs/dbraw/zinc/93/26/81/356932681.db2.gz BINSVOYKWGCPFY-OAHLLOKOSA-N 1 2 252.317 1.360 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153092330 357256861 /nfs/dbraw/zinc/25/68/61/357256861.db2.gz GWZYOZBLGUBVDQ-NSHDSACASA-N 1 2 287.319 1.091 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153092330 357256863 /nfs/dbraw/zinc/25/68/63/357256863.db2.gz GWZYOZBLGUBVDQ-NSHDSACASA-N 1 2 287.319 1.091 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCCC3(C2)OCCO3)s1 ZINC000182079439 357404830 /nfs/dbraw/zinc/40/48/30/357404830.db2.gz QWJQZLUIILTJHK-UHFFFAOYSA-N 1 2 264.350 1.959 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCCC3(C2)OCCO3)s1 ZINC000182079439 357404834 /nfs/dbraw/zinc/40/48/34/357404834.db2.gz QWJQZLUIILTJHK-UHFFFAOYSA-N 1 2 264.350 1.959 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c(F)c1 ZINC000185161697 357516540 /nfs/dbraw/zinc/51/65/40/357516540.db2.gz OUWNUGHJOSGLSO-OAHLLOKOSA-N 1 2 276.311 1.689 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)c(F)c1 ZINC000185161697 357516545 /nfs/dbraw/zinc/51/65/45/357516545.db2.gz OUWNUGHJOSGLSO-OAHLLOKOSA-N 1 2 276.311 1.689 20 30 CDEDLO C#CCO[C@H](C)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000294404142 199027440 /nfs/dbraw/zinc/02/74/40/199027440.db2.gz MIDGTCAFVFYXFZ-GFCCVEGCSA-N 1 2 285.347 1.499 20 30 CDEDLO COCC#CC[N@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000644778596 357887073 /nfs/dbraw/zinc/88/70/73/357887073.db2.gz WSUWATIMSLJVKB-OKILXGFUSA-N 1 2 280.412 1.604 20 30 CDEDLO COCC#CC[N@@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000644778596 357887076 /nfs/dbraw/zinc/88/70/76/357887076.db2.gz WSUWATIMSLJVKB-OKILXGFUSA-N 1 2 280.412 1.604 20 30 CDEDLO C=Cn1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cn1 ZINC000193675901 358314999 /nfs/dbraw/zinc/31/49/99/358314999.db2.gz QOBDSBXPURFQHI-UHFFFAOYSA-N 1 2 294.362 1.572 20 30 CDEDLO C[C@@H](C(=O)NCC(C)(C)C#N)[NH+]1CCSCC1 ZINC000408174830 358548821 /nfs/dbraw/zinc/54/88/21/358548821.db2.gz VDOBGCREWVPRKN-JTQLQIEISA-N 1 2 255.387 1.090 20 30 CDEDLO Cc1cccn2cc(CC(=O)NC3(C#N)CCC3)[nH+]c12 ZINC000335187667 359076311 /nfs/dbraw/zinc/07/63/11/359076311.db2.gz RIDPDIQMOLTDTJ-UHFFFAOYSA-N 1 2 268.320 1.748 20 30 CDEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000264476278 359310345 /nfs/dbraw/zinc/31/03/45/359310345.db2.gz OYCUEXQYSRMFRG-LBPRGKRZSA-N 1 2 287.363 1.765 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCCn1cc[nH+]c1)OCC ZINC000270003473 359389673 /nfs/dbraw/zinc/38/96/73/359389673.db2.gz CAZWWIKMUMGPHI-GFCCVEGCSA-N 1 2 251.330 1.371 20 30 CDEDLO C#CCN(C(=O)NCc1ccc(N2CCCC2)[nH+]c1)C1CC1 ZINC000274101636 359494143 /nfs/dbraw/zinc/49/41/43/359494143.db2.gz JXVGEZCMRXPMHK-UHFFFAOYSA-N 1 2 298.390 1.989 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000277630733 359567025 /nfs/dbraw/zinc/56/70/25/359567025.db2.gz XUFBCUPMIOBJAX-XOBRGWDASA-N 1 2 291.416 1.899 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000277630733 359567029 /nfs/dbraw/zinc/56/70/29/359567029.db2.gz XUFBCUPMIOBJAX-XOBRGWDASA-N 1 2 291.416 1.899 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)C[C@@H]2CCC(=O)[C@@H]2C)CC1 ZINC000279671230 359589633 /nfs/dbraw/zinc/58/96/33/359589633.db2.gz HUSRBVUSKBAFMY-KGLIPLIRSA-N 1 2 276.380 1.159 20 30 CDEDLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1CCC#N ZINC000495819395 366540330 /nfs/dbraw/zinc/54/03/30/366540330.db2.gz VAVAXMHEOYARSY-GFCCVEGCSA-N 1 2 253.346 1.889 20 30 CDEDLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1CCC#N ZINC000495819395 366540339 /nfs/dbraw/zinc/54/03/39/366540339.db2.gz VAVAXMHEOYARSY-GFCCVEGCSA-N 1 2 253.346 1.889 20 30 CDEDLO C=CCOCCC[N@@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000348052750 359804574 /nfs/dbraw/zinc/80/45/74/359804574.db2.gz SNMJMBUMXQNTMV-NSHDSACASA-N 1 2 269.345 1.802 20 30 CDEDLO C=CCOCCC[N@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000348052750 359804577 /nfs/dbraw/zinc/80/45/77/359804577.db2.gz SNMJMBUMXQNTMV-NSHDSACASA-N 1 2 269.345 1.802 20 30 CDEDLO CC(C)(C)OC(=O)N1CC[C@@H](C=[NH+]n2ccnn2)C1 ZINC000495924815 366558216 /nfs/dbraw/zinc/55/82/16/366558216.db2.gz WPJIUBLHCDCFEA-JTQLQIEISA-N 1 2 265.317 1.369 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccnn1C ZINC000348396943 360050348 /nfs/dbraw/zinc/05/03/48/360050348.db2.gz GOCBCNYQNINJGL-SWLSCSKDSA-N 1 2 291.399 1.295 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccnn1C ZINC000348396943 360050350 /nfs/dbraw/zinc/05/03/50/360050350.db2.gz GOCBCNYQNINJGL-SWLSCSKDSA-N 1 2 291.399 1.295 20 30 CDEDLO CC[C@@H](C)[N@H+](CC(=O)OC)CC(=O)N(CC)CCC#N ZINC000337249077 360045729 /nfs/dbraw/zinc/04/57/29/360045729.db2.gz PYSJWQOROKQTRW-GFCCVEGCSA-N 1 2 283.372 1.022 20 30 CDEDLO CC[C@@H](C)[N@@H+](CC(=O)OC)CC(=O)N(CC)CCC#N ZINC000337249077 360045731 /nfs/dbraw/zinc/04/57/31/360045731.db2.gz PYSJWQOROKQTRW-GFCCVEGCSA-N 1 2 283.372 1.022 20 30 CDEDLO COc1cccc(OCC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000574088831 334991596 /nfs/dbraw/zinc/99/15/96/334991596.db2.gz JANLIHPUHFGRNO-HNNXBMFYSA-N 1 2 291.351 1.034 20 30 CDEDLO CCNC(=O)C[N@H+](CC)Cc1cc(C#N)ccc1OC ZINC000130431196 360395287 /nfs/dbraw/zinc/39/52/87/360395287.db2.gz YEXQZAPJPMFQMK-UHFFFAOYSA-N 1 2 275.352 1.525 20 30 CDEDLO CCNC(=O)C[N@@H+](CC)Cc1cc(C#N)ccc1OC ZINC000130431196 360395291 /nfs/dbraw/zinc/39/52/91/360395291.db2.gz YEXQZAPJPMFQMK-UHFFFAOYSA-N 1 2 275.352 1.525 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000112560586 360540689 /nfs/dbraw/zinc/54/06/89/360540689.db2.gz PAJQLLGRJUKLDQ-HOTGVXAUSA-N 1 2 290.411 1.474 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000112560586 360540690 /nfs/dbraw/zinc/54/06/90/360540690.db2.gz PAJQLLGRJUKLDQ-HOTGVXAUSA-N 1 2 290.411 1.474 20 30 CDEDLO C=CCCn1cc(C(=O)N[C@@H](CC)c2[nH]cc[nH+]2)nn1 ZINC000424776149 360604034 /nfs/dbraw/zinc/60/40/34/360604034.db2.gz IOGHYNIWVAUULU-JTQLQIEISA-N 1 2 274.328 1.458 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000427682201 360683929 /nfs/dbraw/zinc/68/39/29/360683929.db2.gz HWOVCSFLMPKKGD-NSHDSACASA-N 1 2 289.335 1.596 20 30 CDEDLO C#CCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245667187 360732402 /nfs/dbraw/zinc/73/24/02/360732402.db2.gz JBIPCKRRZIIWFE-UONOGXRCSA-N 1 2 293.317 1.642 20 30 CDEDLO C#CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245667187 360732404 /nfs/dbraw/zinc/73/24/04/360732404.db2.gz JBIPCKRRZIIWFE-UONOGXRCSA-N 1 2 293.317 1.642 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnc2ccsc2c1 ZINC000565051699 360739892 /nfs/dbraw/zinc/73/98/92/360739892.db2.gz QKVPAKAXAZWRRK-AWEZNQCLSA-N 1 2 288.376 1.870 20 30 CDEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)NC1(C#N)CCC1)CCO2 ZINC000329225602 361460197 /nfs/dbraw/zinc/46/01/97/361460197.db2.gz GKHZDBZEVRVJJA-SWLSCSKDSA-N 1 2 293.367 1.269 20 30 CDEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)NC1(C#N)CCC1)CCO2 ZINC000329225602 361460203 /nfs/dbraw/zinc/46/02/03/361460203.db2.gz GKHZDBZEVRVJJA-SWLSCSKDSA-N 1 2 293.367 1.269 20 30 CDEDLO CC#CCCNC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000435930147 361454566 /nfs/dbraw/zinc/45/45/66/361454566.db2.gz WCOATKGWKMYWFI-CYBMUJFWSA-N 1 2 289.383 1.211 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000134110461 361513675 /nfs/dbraw/zinc/51/36/75/361513675.db2.gz DMTWIQNKEZRRHV-UHFFFAOYSA-N 1 2 258.321 1.897 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCCC2(C1)OCCO2 ZINC000134110461 361513682 /nfs/dbraw/zinc/51/36/82/361513682.db2.gz DMTWIQNKEZRRHV-UHFFFAOYSA-N 1 2 258.321 1.897 20 30 CDEDLO CCOC(=O)Cn1nc(C)c(C[N@H+](C)C[C@@H](C)C#N)c1C ZINC000437584195 361680410 /nfs/dbraw/zinc/68/04/10/361680410.db2.gz UYAITRHDLXJJBP-NSHDSACASA-N 1 2 292.383 1.655 20 30 CDEDLO CCOC(=O)Cn1nc(C)c(C[N@@H+](C)C[C@@H](C)C#N)c1C ZINC000437584195 361680414 /nfs/dbraw/zinc/68/04/14/361680414.db2.gz UYAITRHDLXJJBP-NSHDSACASA-N 1 2 292.383 1.655 20 30 CDEDLO CC1CC(C#N)(C(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000532624774 363967511 /nfs/dbraw/zinc/96/75/11/363967511.db2.gz ORTVVVXMVVHTQH-UHFFFAOYSA-N 1 2 260.341 1.671 20 30 CDEDLO CC[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000582063432 364065206 /nfs/dbraw/zinc/06/52/06/364065206.db2.gz JDWPYYHSVTUIPW-CYBMUJFWSA-N 1 2 271.324 1.212 20 30 CDEDLO CC[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000582063432 364065211 /nfs/dbraw/zinc/06/52/11/364065211.db2.gz JDWPYYHSVTUIPW-CYBMUJFWSA-N 1 2 271.324 1.212 20 30 CDEDLO C#C[C@H](NC(=O)NCCCCn1cc[nH+]c1)C(C)C ZINC000490972936 364594250 /nfs/dbraw/zinc/59/42/50/364594250.db2.gz IRWXFCQETZNPHH-ZDUSSCGKSA-N 1 2 262.357 1.620 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000175171529 364633987 /nfs/dbraw/zinc/63/39/87/364633987.db2.gz XVLLXLHTGJAIDB-UHFFFAOYSA-N 1 2 295.346 1.239 20 30 CDEDLO CN(CC[NH+]1CCOCC1)Cc1ccccc1C#N ZINC000264241942 364763348 /nfs/dbraw/zinc/76/33/48/364763348.db2.gz FFVZVNFUOBIVTG-UHFFFAOYSA-N 1 2 259.353 1.322 20 30 CDEDLO C[C@H]([NH2+]CCOc1cccc(C#N)c1)c1ncn(C)n1 ZINC000275533570 193069364 /nfs/dbraw/zinc/06/93/64/193069364.db2.gz KRAVEJBMIHSCBS-NSHDSACASA-N 1 2 271.324 1.416 20 30 CDEDLO COC(=O)[C@H]1CN(C)CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000414493882 241232444 /nfs/dbraw/zinc/23/24/44/241232444.db2.gz UIEPCLRMEORLOM-LBPRGKRZSA-N 1 2 293.392 1.156 20 30 CDEDLO COC(=O)[C@H]1CN(C)CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000414493882 241232447 /nfs/dbraw/zinc/23/24/47/241232447.db2.gz UIEPCLRMEORLOM-LBPRGKRZSA-N 1 2 293.392 1.156 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@H](COCC)C1 ZINC000528725356 367955130 /nfs/dbraw/zinc/95/51/30/367955130.db2.gz SYSGYNCFFHMYQN-AWEZNQCLSA-N 1 2 284.400 1.148 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@H](COCC)C1 ZINC000528725356 367955135 /nfs/dbraw/zinc/95/51/35/367955135.db2.gz SYSGYNCFFHMYQN-AWEZNQCLSA-N 1 2 284.400 1.148 20 30 CDEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N(C)C1CC1 ZINC000072691891 369121606 /nfs/dbraw/zinc/12/16/06/369121606.db2.gz FPXFSONGSYELLZ-UHFFFAOYSA-N 1 2 251.374 1.869 20 30 CDEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N(C)C1CC1 ZINC000072691891 369121609 /nfs/dbraw/zinc/12/16/09/369121609.db2.gz FPXFSONGSYELLZ-UHFFFAOYSA-N 1 2 251.374 1.869 20 30 CDEDLO CC[C@H](C#N)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000545210757 369164237 /nfs/dbraw/zinc/16/42/37/369164237.db2.gz YKHIEXJQCPWUOQ-LLVKDONJSA-N 1 2 256.309 1.604 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000073599062 369184516 /nfs/dbraw/zinc/18/45/16/369184516.db2.gz ONGXSTQJZZDPJT-ZDUSSCGKSA-N 1 2 253.390 1.047 20 30 CDEDLO C=CCCC(=O)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000371519495 370298032 /nfs/dbraw/zinc/29/80/32/370298032.db2.gz YNSGBSTVMKJJFS-UHFFFAOYSA-N 1 2 295.427 1.402 20 30 CDEDLO C=CCCC(=O)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000371519495 370298036 /nfs/dbraw/zinc/29/80/36/370298036.db2.gz YNSGBSTVMKJJFS-UHFFFAOYSA-N 1 2 295.427 1.402 20 30 CDEDLO Cc1ccnc(NCC[N@@H+]2CCO[C@H](C)C2)c1C#N ZINC000543136256 370328228 /nfs/dbraw/zinc/32/82/28/370328228.db2.gz NTXMXHCXJPEYEP-GFCCVEGCSA-N 1 2 260.341 1.394 20 30 CDEDLO Cc1ccnc(NCC[N@H+]2CCO[C@H](C)C2)c1C#N ZINC000543136256 370328230 /nfs/dbraw/zinc/32/82/30/370328230.db2.gz NTXMXHCXJPEYEP-GFCCVEGCSA-N 1 2 260.341 1.394 20 30 CDEDLO CC[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000160576216 370492489 /nfs/dbraw/zinc/49/24/89/370492489.db2.gz WUSVMWCCLDBKNR-SNVBAGLBSA-N 1 2 284.406 1.629 20 30 CDEDLO CC[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000160576216 370492492 /nfs/dbraw/zinc/49/24/92/370492492.db2.gz WUSVMWCCLDBKNR-SNVBAGLBSA-N 1 2 284.406 1.629 20 30 CDEDLO C=CCNC(=O)Cc1noc(Cc2cn3ccccc3[nH+]2)n1 ZINC000350700143 372316885 /nfs/dbraw/zinc/31/68/85/372316885.db2.gz DALULXRPEBJVNE-UHFFFAOYSA-N 1 2 297.318 1.153 20 30 CDEDLO Cc1cc(=NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[nH]n1CCC#N ZINC000579139313 372553802 /nfs/dbraw/zinc/55/38/02/372553802.db2.gz DAHDSVVLVWTICS-JTQLQIEISA-N 1 2 286.339 1.068 20 30 CDEDLO Cc1cc(=NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[nH]n1CCC#N ZINC000579139313 372553803 /nfs/dbraw/zinc/55/38/03/372553803.db2.gz DAHDSVVLVWTICS-JTQLQIEISA-N 1 2 286.339 1.068 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)N[C@@H](C#N)C1CCCCC1 ZINC000185796950 372664487 /nfs/dbraw/zinc/66/44/87/372664487.db2.gz WRJKDZFULLOGPN-ZDUSSCGKSA-N 1 2 260.341 1.551 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@]23CCOC3=O)cc1F ZINC000192206184 373603069 /nfs/dbraw/zinc/60/30/69/373603069.db2.gz RIOSVIPIVGLWIK-HNNXBMFYSA-N 1 2 274.295 1.979 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@]23CCOC3=O)cc1F ZINC000192206184 373603078 /nfs/dbraw/zinc/60/30/78/373603078.db2.gz RIOSVIPIVGLWIK-HNNXBMFYSA-N 1 2 274.295 1.979 20 30 CDEDLO CC[C@]1(C)COCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000330531884 373689979 /nfs/dbraw/zinc/68/99/79/373689979.db2.gz SPPRLKUQQWMHAB-MRXNPFEDSA-N 1 2 287.363 1.998 20 30 CDEDLO CC[C@]1(C)COCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000330531884 373689985 /nfs/dbraw/zinc/68/99/85/373689985.db2.gz SPPRLKUQQWMHAB-MRXNPFEDSA-N 1 2 287.363 1.998 20 30 CDEDLO CC#CCCCC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000342041301 373986618 /nfs/dbraw/zinc/98/66/18/373986618.db2.gz DWJOAECPTIJUIL-UHFFFAOYSA-N 1 2 288.395 1.258 20 30 CDEDLO N#Cc1ccccc1CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062980015 374178572 /nfs/dbraw/zinc/17/85/72/374178572.db2.gz IXEQVJKLXFZCGS-MRXNPFEDSA-N 1 2 271.364 1.465 20 30 CDEDLO CN(C)C(=O)C1([NH2+]Cc2ccc(F)cc2C#N)CC1 ZINC000411909446 374187924 /nfs/dbraw/zinc/18/79/24/374187924.db2.gz GFDJGQXVYVKIOH-UHFFFAOYSA-N 1 2 261.300 1.408 20 30 CDEDLO C=CCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000661569690 541910697 /nfs/dbraw/zinc/91/06/97/541910697.db2.gz RZJCEKBSMGDQGE-QWHCGFSZSA-N 1 2 267.373 1.067 20 30 CDEDLO C[C@H]1CC[S@@](=O)CC[N@@H+]1CCOc1ccccc1C#N ZINC000369360053 374351438 /nfs/dbraw/zinc/35/14/38/374351438.db2.gz VGJLISRCONZNCW-RNODOKPDSA-N 1 2 292.404 1.780 20 30 CDEDLO C[C@H]1CC[S@@](=O)CC[N@H+]1CCOc1ccccc1C#N ZINC000369360053 374351444 /nfs/dbraw/zinc/35/14/44/374351444.db2.gz VGJLISRCONZNCW-RNODOKPDSA-N 1 2 292.404 1.780 20 30 CDEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CCO1 ZINC000528733083 374455197 /nfs/dbraw/zinc/45/51/97/374455197.db2.gz ULKXTFFEKGHAGI-NSHDSACASA-N 1 2 266.366 1.857 20 30 CDEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CCO1 ZINC000528733083 374455204 /nfs/dbraw/zinc/45/52/04/374455204.db2.gz ULKXTFFEKGHAGI-NSHDSACASA-N 1 2 266.366 1.857 20 30 CDEDLO CC(C)C(=O)N1CCC[N@H+](C[C@@H](C#N)CCC#N)CC1 ZINC000112560342 374501221 /nfs/dbraw/zinc/50/12/21/374501221.db2.gz GWWCUHXUOLOBMU-CQSZACIVSA-N 1 2 276.384 1.620 20 30 CDEDLO CC(C)C(=O)N1CCC[N@@H+](C[C@@H](C#N)CCC#N)CC1 ZINC000112560342 374501225 /nfs/dbraw/zinc/50/12/25/374501225.db2.gz GWWCUHXUOLOBMU-CQSZACIVSA-N 1 2 276.384 1.620 20 30 CDEDLO Cc1ccnc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1C#N ZINC000376209825 374546113 /nfs/dbraw/zinc/54/61/13/374546113.db2.gz XFZYZGWZRVLUHF-UONOGXRCSA-N 1 2 286.379 1.561 20 30 CDEDLO COCC[NH+]1CCN(c2nccc(C#N)c2Cl)CC1 ZINC000429210647 374572593 /nfs/dbraw/zinc/57/25/93/374572593.db2.gz ISQNYXZIOMUXJI-UHFFFAOYSA-N 1 2 280.759 1.375 20 30 CDEDLO Cn1cc(C[NH+]2CCN(c3ncccc3F)CC2)cc1C#N ZINC000276764261 374747010 /nfs/dbraw/zinc/74/70/10/374747010.db2.gz NJDGSHVEKYQQSX-UHFFFAOYSA-N 1 2 299.353 1.753 20 30 CDEDLO COC(=O)[C@@H](CC(C)C)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000449422449 374808480 /nfs/dbraw/zinc/80/84/80/374808480.db2.gz MYEJTLOAOOSQEV-CQSZACIVSA-N 1 2 277.368 1.916 20 30 CDEDLO COC(=O)[C@@H](CC(C)C)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000449422449 374808487 /nfs/dbraw/zinc/80/84/87/374808487.db2.gz MYEJTLOAOOSQEV-CQSZACIVSA-N 1 2 277.368 1.916 20 30 CDEDLO N#Cc1ccc(C(=O)NCCc2cn3ccccc3[nH+]2)o1 ZINC000428111513 247244826 /nfs/dbraw/zinc/24/48/26/247244826.db2.gz OADJTZKKKSUMNQ-UHFFFAOYSA-N 1 2 280.287 1.771 20 30 CDEDLO C[C@@H]1OCCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)[C@H]1C ZINC000328605103 375890994 /nfs/dbraw/zinc/89/09/94/375890994.db2.gz JEXNBCRVOVINEQ-AVGNSLFASA-N 1 2 292.383 1.784 20 30 CDEDLO Cc1nnc(C[N@H+](C)CCOCc2ccc(C#N)cc2)[nH]1 ZINC000428943904 247383242 /nfs/dbraw/zinc/38/32/42/247383242.db2.gz QQUWOCFBCWIXRP-UHFFFAOYSA-N 1 2 285.351 1.633 20 30 CDEDLO Cc1nnc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)[nH]1 ZINC000428943904 247383245 /nfs/dbraw/zinc/38/32/45/247383245.db2.gz QQUWOCFBCWIXRP-UHFFFAOYSA-N 1 2 285.351 1.633 20 30 CDEDLO C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(=O)N1CCCC1 ZINC000328805544 375958983 /nfs/dbraw/zinc/95/89/83/375958983.db2.gz LSAJAELVNLVAMM-RYUDHWBXSA-N 1 2 290.367 1.413 20 30 CDEDLO CC1(C)C[N@H+](CCNC(=O)NCC2(C#N)CCC2)CCO1 ZINC000419441442 376138605 /nfs/dbraw/zinc/13/86/05/376138605.db2.gz TZZZYWCVHAVRTC-UHFFFAOYSA-N 1 2 294.399 1.090 20 30 CDEDLO CC1(C)C[N@@H+](CCNC(=O)NCC2(C#N)CCC2)CCO1 ZINC000419441442 376138612 /nfs/dbraw/zinc/13/86/12/376138612.db2.gz TZZZYWCVHAVRTC-UHFFFAOYSA-N 1 2 294.399 1.090 20 30 CDEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+](C)CCNC(=O)N(C)C ZINC000330628938 376297625 /nfs/dbraw/zinc/29/76/25/376297625.db2.gz ZXKXEXBKISYQFM-CHWSQXEVSA-N 1 2 298.431 1.183 20 30 CDEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000330628938 376297627 /nfs/dbraw/zinc/29/76/27/376297627.db2.gz ZXKXEXBKISYQFM-CHWSQXEVSA-N 1 2 298.431 1.183 20 30 CDEDLO COC(=O)C[C@H]1CSCC[N@@H+]1C[C@@H](C#N)CCC#N ZINC000246086742 376376808 /nfs/dbraw/zinc/37/68/08/376376808.db2.gz UPKFXPBXOWAKKG-NEPJUHHUSA-N 1 2 281.381 1.410 20 30 CDEDLO COC(=O)C[C@H]1CSCC[N@H+]1C[C@@H](C#N)CCC#N ZINC000246086742 376376810 /nfs/dbraw/zinc/37/68/10/376376810.db2.gz UPKFXPBXOWAKKG-NEPJUHHUSA-N 1 2 281.381 1.410 20 30 CDEDLO Cc1cccc2[nH+]c(CN3CCO[C@H](C#N)C3)cn21 ZINC000171575019 376825756 /nfs/dbraw/zinc/82/57/56/376825756.db2.gz RIVKKQCMMRXBOF-CYBMUJFWSA-N 1 2 256.309 1.367 20 30 CDEDLO C#CCN(CC#C)Cc1[nH+]ccn1CC(F)(F)F ZINC000072906502 377205884 /nfs/dbraw/zinc/20/58/84/377205884.db2.gz TZIIMQFEGXQAHT-UHFFFAOYSA-N 1 2 255.243 1.514 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000131151795 377643973 /nfs/dbraw/zinc/64/39/73/377643973.db2.gz HQBQSEMUGCSMPR-KGLIPLIRSA-N 1 2 280.412 1.980 20 30 CDEDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1ccc(C#N)cc1F)CC2 ZINC000172791880 377754159 /nfs/dbraw/zinc/75/41/59/377754159.db2.gz HSMIMTHPXBUJLN-UHFFFAOYSA-N 1 2 298.321 1.349 20 30 CDEDLO Cn1nc2c(cc1=O)C[N@H+](Cc1ccc(C#N)cc1F)CC2 ZINC000172791880 377754164 /nfs/dbraw/zinc/75/41/64/377754164.db2.gz HSMIMTHPXBUJLN-UHFFFAOYSA-N 1 2 298.321 1.349 20 30 CDEDLO C=CCOc1ccc(C(=O)NCc2[nH+]ccn2C)cc1 ZINC000343295648 377827507 /nfs/dbraw/zinc/82/75/07/377827507.db2.gz KOJLSKWEVTXAOJ-UHFFFAOYSA-N 1 2 271.320 1.915 20 30 CDEDLO COCCOCCO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000179639548 261805440 /nfs/dbraw/zinc/80/54/40/261805440.db2.gz MFAZFLZCDIRBHY-UHFFFAOYSA-N 1 2 274.267 1.265 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)[C@H]2CCN(CC=C)C2=O)n1 ZINC000281261112 377995998 /nfs/dbraw/zinc/99/59/98/377995998.db2.gz HKWFJTWLFJNQTG-HNNXBMFYSA-N 1 2 286.379 1.125 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)[C@H]2CCN(CC=C)C2=O)n1 ZINC000281261112 377996004 /nfs/dbraw/zinc/99/60/04/377996004.db2.gz HKWFJTWLFJNQTG-HNNXBMFYSA-N 1 2 286.379 1.125 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(C)Cc1ccc(OC)cc1 ZINC000192227400 378178198 /nfs/dbraw/zinc/17/81/98/378178198.db2.gz YGFDXOGFCQUDFP-UHFFFAOYSA-N 1 2 260.337 1.219 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N(C)Cc1ccc(OC)cc1 ZINC000192227400 378178204 /nfs/dbraw/zinc/17/82/04/378178204.db2.gz YGFDXOGFCQUDFP-UHFFFAOYSA-N 1 2 260.337 1.219 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000192237050 378178282 /nfs/dbraw/zinc/17/82/82/378178282.db2.gz YUAWTZSOCCNDQJ-UHFFFAOYSA-N 1 2 261.350 1.740 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000192237050 378178285 /nfs/dbraw/zinc/17/82/85/378178285.db2.gz YUAWTZSOCCNDQJ-UHFFFAOYSA-N 1 2 261.350 1.740 20 30 CDEDLO C=C[C@H](CO)NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000290463437 378377114 /nfs/dbraw/zinc/37/71/14/378377114.db2.gz CQAOGYYSYCBVIO-SECBINFHSA-N 1 2 295.289 1.286 20 30 CDEDLO C#CCNC(=O)c1ccc(N[C@@H](C)Cn2cc[nH+]c2)nc1 ZINC000290569845 378389573 /nfs/dbraw/zinc/38/95/73/378389573.db2.gz TZEUZLBWSBXWSS-LBPRGKRZSA-N 1 2 283.335 1.142 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000293076337 378536596 /nfs/dbraw/zinc/53/65/96/378536596.db2.gz JIBYMUSBTJZPCO-UHFFFAOYSA-N 1 2 273.336 1.539 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000293076337 378536603 /nfs/dbraw/zinc/53/66/03/378536603.db2.gz JIBYMUSBTJZPCO-UHFFFAOYSA-N 1 2 273.336 1.539 20 30 CDEDLO C#C[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)C(C)C ZINC000294252701 378631437 /nfs/dbraw/zinc/63/14/37/378631437.db2.gz PRPGVTGDRRCGNR-CQSZACIVSA-N 1 2 274.368 1.887 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)c1ncccc1C#N ZINC000278895509 194200980 /nfs/dbraw/zinc/20/09/80/194200980.db2.gz QFHYAWJKRGLQSL-LBPRGKRZSA-N 1 2 260.341 1.110 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@@H](C)c1nc(-c2cccs2)no1 ZINC000662165855 412913377 /nfs/dbraw/zinc/91/33/77/412913377.db2.gz RZUBAPGKIDHVQG-DTWKUNHWSA-N 1 2 265.338 1.996 20 30 CDEDLO COc1cc(C#N)ccc1OCC[NH2+][C@@]1(C)CCOC1=O ZINC000289440886 197349286 /nfs/dbraw/zinc/34/92/86/197349286.db2.gz DSIGPJNSBLGUEJ-HNNXBMFYSA-N 1 2 290.319 1.241 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cccc(OC)n2)C1=O ZINC000281100534 195103627 /nfs/dbraw/zinc/10/36/27/195103627.db2.gz ALGRBMFSAHVCPN-CYBMUJFWSA-N 1 2 275.352 1.309 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cccc(OC)n2)C1=O ZINC000281100534 195103630 /nfs/dbraw/zinc/10/36/30/195103630.db2.gz ALGRBMFSAHVCPN-CYBMUJFWSA-N 1 2 275.352 1.309 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCN(CCC)C(=O)C2(C)C)C1=O ZINC000281412290 195231028 /nfs/dbraw/zinc/23/10/28/195231028.db2.gz RFUMPHUGAUTOPB-ZDUSSCGKSA-N 1 2 293.411 1.106 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCN(CCC)C(=O)C2(C)C)C1=O ZINC000281412290 195231030 /nfs/dbraw/zinc/23/10/30/195231030.db2.gz RFUMPHUGAUTOPB-ZDUSSCGKSA-N 1 2 293.411 1.106 20 30 CDEDLO CN(C(=O)Cc1cn2ccccc2[nH+]1)C1(C#N)CCC1 ZINC000171203116 335059209 /nfs/dbraw/zinc/05/92/09/335059209.db2.gz KERRMBJGHKAFAY-UHFFFAOYSA-N 1 2 268.320 1.781 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CC(C)(C)O ZINC001663377345 1172684115 /nfs/dbraw/zinc/68/41/15/1172684115.db2.gz NJMBSOAYTUOKMP-UHFFFAOYSA-N 1 2 262.781 1.338 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CC(C)(C)O ZINC001663377345 1172684118 /nfs/dbraw/zinc/68/41/18/1172684118.db2.gz NJMBSOAYTUOKMP-UHFFFAOYSA-N 1 2 262.781 1.338 20 30 CDEDLO NC(=[NH2+])Nc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1 ZINC000029456590 390173301 /nfs/dbraw/zinc/17/33/01/390173301.db2.gz LZKGUFOAYYRMOJ-UHFFFAOYSA-N 1 2 275.293 1.150 20 30 CDEDLO C[C@H](C#N)C[N@H+](C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000338380637 390662166 /nfs/dbraw/zinc/66/21/66/390662166.db2.gz MEFNBUXHQZCTMV-HGTKMLMNSA-N 1 2 295.427 1.081 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000338380637 390662169 /nfs/dbraw/zinc/66/21/69/390662169.db2.gz MEFNBUXHQZCTMV-HGTKMLMNSA-N 1 2 295.427 1.081 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000371332896 390944311 /nfs/dbraw/zinc/94/43/11/390944311.db2.gz BPJNTSKGZXRKNU-AWEZNQCLSA-N 1 2 286.331 1.335 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000371332896 390944312 /nfs/dbraw/zinc/94/43/12/390944312.db2.gz BPJNTSKGZXRKNU-AWEZNQCLSA-N 1 2 286.331 1.335 20 30 CDEDLO CC(C)Oc1cccc(CO[NH+]=C(N)CCO)c1 ZINC000121394785 390885346 /nfs/dbraw/zinc/88/53/46/390885346.db2.gz IQIBUHLHSWFYEL-UHFFFAOYSA-N 1 2 252.314 1.645 20 30 CDEDLO COC1(C)CN(C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000329574885 391019028 /nfs/dbraw/zinc/01/90/28/391019028.db2.gz RUCGFSQWOTZXAS-UHFFFAOYSA-N 1 2 278.356 1.354 20 30 CDEDLO O=C(NC[C@@H]1CCC[C@@H]1O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329469421 390994321 /nfs/dbraw/zinc/99/43/21/390994321.db2.gz YAKSRTWFTASQPI-CFVMTHIKSA-N 1 2 296.411 1.747 20 30 CDEDLO O=C(NC[C@@H]1CCC[C@@H]1O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329469421 390994323 /nfs/dbraw/zinc/99/43/23/390994323.db2.gz YAKSRTWFTASQPI-CFVMTHIKSA-N 1 2 296.411 1.747 20 30 CDEDLO O=C(NC[C@@H](CO)C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329649805 391063032 /nfs/dbraw/zinc/06/30/32/391063032.db2.gz JSZJEDWMPAAQCR-NEPJUHHUSA-N 1 2 263.341 1.421 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000373403504 391118534 /nfs/dbraw/zinc/11/85/34/391118534.db2.gz OPVYNCSBPZDORJ-GDBMZVCRSA-N 1 2 294.395 1.067 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000373403504 391118536 /nfs/dbraw/zinc/11/85/36/391118536.db2.gz OPVYNCSBPZDORJ-GDBMZVCRSA-N 1 2 294.395 1.067 20 30 CDEDLO N#CCCCS(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000175317929 391134088 /nfs/dbraw/zinc/13/40/88/391134088.db2.gz PKIBCMHYSYDGBR-UHFFFAOYSA-N 1 2 251.311 1.078 20 30 CDEDLO C#CCSCCNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000121420508 391111706 /nfs/dbraw/zinc/11/17/06/391111706.db2.gz PGLOIZFJRNYHLT-UHFFFAOYSA-N 1 2 292.408 1.596 20 30 CDEDLO N#CC1(F)CC[NH+](CCOCC(F)(F)F)CC1 ZINC000352491178 391155899 /nfs/dbraw/zinc/15/58/99/391155899.db2.gz OFRUTOHWKBVZDP-UHFFFAOYSA-N 1 2 254.227 1.893 20 30 CDEDLO CCc1nc(CO[NH+]=C(N)[C@H](C)OCC(C)C)no1 ZINC000266198823 391170884 /nfs/dbraw/zinc/17/08/84/391170884.db2.gz KPYPVPAXESVABO-VIFPVBQESA-N 1 2 270.333 1.482 20 30 CDEDLO CO[C@@H]1CC[C@H]([NH+]=C([O-])NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329971023 533434317 /nfs/dbraw/zinc/43/43/17/533434317.db2.gz XNDKACWSHOGEFZ-FRRDWIJNSA-N 1 2 292.383 1.517 20 30 CDEDLO CO[C@@H]1CC[C@H](NC([O-])=[NH+]C[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329971023 533434324 /nfs/dbraw/zinc/43/43/24/533434324.db2.gz XNDKACWSHOGEFZ-FRRDWIJNSA-N 1 2 292.383 1.517 20 30 CDEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)C[C@H](C)O1 ZINC000338344056 391197721 /nfs/dbraw/zinc/19/77/21/391197721.db2.gz OMDZXZJPHOVVSB-SWLSCSKDSA-N 1 2 288.347 1.515 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)C[C@H](C)O1 ZINC000338344056 391197724 /nfs/dbraw/zinc/19/77/24/391197724.db2.gz OMDZXZJPHOVVSB-SWLSCSKDSA-N 1 2 288.347 1.515 20 30 CDEDLO Cc1nnc(CO[NH+]=C(N)c2ccc(F)c(C)c2)n1C ZINC000183247818 391258379 /nfs/dbraw/zinc/25/83/79/391258379.db2.gz IYINPALZWLTTIF-UHFFFAOYSA-N 1 2 277.303 1.408 20 30 CDEDLO CC[C@@H](C(=O)NCC1(C#N)CCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000416346215 391285294 /nfs/dbraw/zinc/28/52/94/391285294.db2.gz KBTFGCHAVSVVLY-KGLIPLIRSA-N 1 2 293.411 1.686 20 30 CDEDLO CC[C@@H](C(=O)NCC1(C#N)CCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000416346215 391285297 /nfs/dbraw/zinc/28/52/97/391285297.db2.gz KBTFGCHAVSVVLY-KGLIPLIRSA-N 1 2 293.411 1.686 20 30 CDEDLO CC[C@H](CC#N)NC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339350837 391287048 /nfs/dbraw/zinc/28/70/48/391287048.db2.gz GHILFKQSUWYIMR-HZSPNIEDSA-N 1 2 281.400 1.684 20 30 CDEDLO CC[C@H](CC#N)NC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000339350837 391287052 /nfs/dbraw/zinc/28/70/52/391287052.db2.gz GHILFKQSUWYIMR-HZSPNIEDSA-N 1 2 281.400 1.684 20 30 CDEDLO CC[C@H](CC#N)NC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000339350838 391287503 /nfs/dbraw/zinc/28/75/03/391287503.db2.gz GHILFKQSUWYIMR-MCIONIFRSA-N 1 2 281.400 1.684 20 30 CDEDLO CC[C@H](CC#N)NC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000339350838 391287506 /nfs/dbraw/zinc/28/75/06/391287506.db2.gz GHILFKQSUWYIMR-MCIONIFRSA-N 1 2 281.400 1.684 20 30 CDEDLO CCC[N@H+](CC#N)C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000343217415 391334022 /nfs/dbraw/zinc/33/40/22/391334022.db2.gz OCHGEFGICZUQPV-GXTWGEPZSA-N 1 2 262.357 1.733 20 30 CDEDLO CCC[N@@H+](CC#N)C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000343217415 391334027 /nfs/dbraw/zinc/33/40/27/391334027.db2.gz OCHGEFGICZUQPV-GXTWGEPZSA-N 1 2 262.357 1.733 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1nccc(N)n1 ZINC000439002893 391374998 /nfs/dbraw/zinc/37/49/98/391374998.db2.gz ZTOIGHPHTUHKFX-UHFFFAOYSA-N 1 2 253.309 1.393 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1nccc(N)n1 ZINC000439002893 391375002 /nfs/dbraw/zinc/37/50/02/391375002.db2.gz ZTOIGHPHTUHKFX-UHFFFAOYSA-N 1 2 253.309 1.393 20 30 CDEDLO C[C@@H](CCC#N)[N@@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000591015539 391411888 /nfs/dbraw/zinc/41/18/88/391411888.db2.gz NTHWWKXGZISDAK-NWDGAFQWSA-N 1 2 268.357 1.721 20 30 CDEDLO C[C@@H](CCC#N)[N@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000591015539 391411891 /nfs/dbraw/zinc/41/18/91/391411891.db2.gz NTHWWKXGZISDAK-NWDGAFQWSA-N 1 2 268.357 1.721 20 30 CDEDLO Cc1[nH+]ccn1CCCNC(=O)N(C)CC(F)(F)F 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CDEDLO N#CC1(CC[N@@H+]2CCSC[C@@H]2C(N)=O)CCCCC1 ZINC000411430662 391450439 /nfs/dbraw/zinc/45/04/39/391450439.db2.gz TVUAYZTZQRTAGU-GFCCVEGCSA-N 1 2 281.425 1.753 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000354351470 391415878 /nfs/dbraw/zinc/41/58/78/391415878.db2.gz LQYATSYVHGWUST-HIFRSBDPSA-N 1 2 293.411 1.495 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000354351470 391415879 /nfs/dbraw/zinc/41/58/79/391415879.db2.gz LQYATSYVHGWUST-HIFRSBDPSA-N 1 2 293.411 1.495 20 30 CDEDLO N#CC1(F)CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000359361492 391591162 /nfs/dbraw/zinc/59/11/62/391591162.db2.gz NOYRKHLVXYAJMZ-UHFFFAOYSA-N 1 2 295.358 1.096 20 30 CDEDLO C=CCN(CCC#N)C(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000359399659 391594207 /nfs/dbraw/zinc/59/42/07/391594207.db2.gz BHZLYAMJVPNZJG-LSDHHAIUSA-N 1 2 293.411 1.804 20 30 CDEDLO C=CCN(CCC#N)C(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000359399659 391594209 /nfs/dbraw/zinc/59/42/09/391594209.db2.gz 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/nfs/dbraw/zinc/75/09/80/391750980.db2.gz NZIYWJYNHYONRF-WDEREUQCSA-N 1 2 266.345 1.008 20 30 CDEDLO C=CCC[C@H](CO)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000413319003 391750981 /nfs/dbraw/zinc/75/09/81/391750981.db2.gz NZIYWJYNHYONRF-WDEREUQCSA-N 1 2 266.345 1.008 20 30 CDEDLO COC1CCN(C([O-])=[NH+]C[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000329810314 391782654 /nfs/dbraw/zinc/78/26/54/391782654.db2.gz QQBABPVMHOINIR-GFCCVEGCSA-N 1 2 292.383 1.470 20 30 CDEDLO Cn1cc(CNc2ccc[nH+]c2N2CCOCC2)cc1C#N ZINC000191532136 130249876 /nfs/dbraw/zinc/24/98/76/130249876.db2.gz PCFKRLZCXREZGK-UHFFFAOYSA-N 1 2 297.362 1.740 20 30 CDEDLO COC(=O)[C@H](C)[N@H+](Cc1cc(C#N)n(C)c1)C1CCC1 ZINC000191645227 130269378 /nfs/dbraw/zinc/26/93/78/130269378.db2.gz QHTPCARDQQRQQN-NSHDSACASA-N 1 2 275.352 1.813 20 30 CDEDLO COC(=O)[C@H](C)[N@@H+](Cc1cc(C#N)n(C)c1)C1CCC1 ZINC000191645227 130269379 /nfs/dbraw/zinc/26/93/79/130269379.db2.gz QHTPCARDQQRQQN-NSHDSACASA-N 1 2 275.352 1.813 20 30 CDEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NC(=O)NCC(C)C 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N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@H](n3cccn3)C2)cc1 ZINC000361596433 392761630 /nfs/dbraw/zinc/76/16/30/392761630.db2.gz SOIDKDFNVMXZOM-GJZGRUSLSA-N 1 2 295.346 1.228 20 30 CDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@H](n3cccn3)C2)cc1 ZINC000361596433 392761633 /nfs/dbraw/zinc/76/16/33/392761633.db2.gz SOIDKDFNVMXZOM-GJZGRUSLSA-N 1 2 295.346 1.228 20 30 CDEDLO Cc1cc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)ccc1C#N ZINC000488231722 392895909 /nfs/dbraw/zinc/89/59/09/392895909.db2.gz NXZYWXAPHMECMA-SWLSCSKDSA-N 1 2 260.337 1.448 20 30 CDEDLO Cc1cc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)ccc1C#N ZINC000488231722 392895915 /nfs/dbraw/zinc/89/59/15/392895915.db2.gz NXZYWXAPHMECMA-SWLSCSKDSA-N 1 2 260.337 1.448 20 30 CDEDLO C[C@@H]1C[N@H+](CCNc2ncc(C#N)cc2Cl)CCO1 ZINC000524166720 392897693 /nfs/dbraw/zinc/89/76/93/392897693.db2.gz XYHSYQKMZSLZJM-SNVBAGLBSA-N 1 2 280.759 1.739 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNc2ncc(C#N)cc2Cl)CCO1 ZINC000524166720 392897697 /nfs/dbraw/zinc/89/76/97/392897697.db2.gz XYHSYQKMZSLZJM-SNVBAGLBSA-N 1 2 280.759 1.739 20 30 CDEDLO CC#CC[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000268652131 132042804 /nfs/dbraw/zinc/04/28/04/132042804.db2.gz GSWHBADWTLLHHJ-CVEARBPZSA-N 1 2 259.349 1.834 20 30 CDEDLO CC#CC[N@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000268652131 132042806 /nfs/dbraw/zinc/04/28/06/132042806.db2.gz GSWHBADWTLLHHJ-CVEARBPZSA-N 1 2 259.349 1.834 20 30 CDEDLO Cc1cc(N2CCC[C@H](CNC(N)=O)C2)c(C#N)c[nH+]1 ZINC000425211880 392994364 /nfs/dbraw/zinc/99/43/64/392994364.db2.gz YPWATYHVFWNPAD-LLVKDONJSA-N 1 2 273.340 1.146 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)s1 ZINC000123609233 393113087 /nfs/dbraw/zinc/11/30/87/393113087.db2.gz KKIQPQJBOILPMA-STQMWFEESA-N 1 2 275.377 1.863 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)s1 ZINC000123609233 393113092 /nfs/dbraw/zinc/11/30/92/393113092.db2.gz KKIQPQJBOILPMA-STQMWFEESA-N 1 2 275.377 1.863 20 30 CDEDLO Cc1ccc2[nH+]c(CNC(=O)NCC(C)(C)C#N)cn2c1 ZINC000351791806 393206486 /nfs/dbraw/zinc/20/64/86/393206486.db2.gz ZXQPLQPPXGQQBD-UHFFFAOYSA-N 1 2 285.351 1.992 20 30 CDEDLO CC(C)NC(=O)C[N@H+](C)Cc1cccc(C#N)c1F ZINC000219514144 140166334 /nfs/dbraw/zinc/16/63/34/140166334.db2.gz BUMJDLXLSDZUEU-UHFFFAOYSA-N 1 2 263.316 1.654 20 30 CDEDLO CC(C)NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1F ZINC000219514144 140166335 /nfs/dbraw/zinc/16/63/35/140166335.db2.gz BUMJDLXLSDZUEU-UHFFFAOYSA-N 1 2 263.316 1.654 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000253296667 140333495 /nfs/dbraw/zinc/33/34/95/140333495.db2.gz TWSWXKSZWUAXAF-FZMZJTMJSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000253296667 140333496 /nfs/dbraw/zinc/33/34/96/140333496.db2.gz TWSWXKSZWUAXAF-FZMZJTMJSA-N 1 2 276.336 1.148 20 30 CDEDLO N#Cc1cc(F)ccc1CN1CCn2cc[nH+]c2C1 ZINC000334863586 150007162 /nfs/dbraw/zinc/00/71/62/150007162.db2.gz PSGQRESYVYFLBE-UHFFFAOYSA-N 1 2 256.284 1.910 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc(C#N)cs2)C1 ZINC000336114019 151279765 /nfs/dbraw/zinc/27/97/65/151279765.db2.gz KHPFYPTXOVNOLX-LLVKDONJSA-N 1 2 286.360 1.983 20 30 CDEDLO N#Cc1c[nH]c(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000343372525 152143792 /nfs/dbraw/zinc/14/37/92/152143792.db2.gz YFIGRWYDIHTCHD-UHFFFAOYSA-N 1 2 292.302 1.778 20 30 CDEDLO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccon1 ZINC000349242632 154073515 /nfs/dbraw/zinc/07/35/15/154073515.db2.gz MGTXJHDKCWNMQO-QMMMGPOBSA-N 1 2 276.321 1.897 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@H]2CCCOC2)c(C#N)c1C ZINC000352195615 155013714 /nfs/dbraw/zinc/01/37/14/155013714.db2.gz RZIRRHGIEWMHQL-LBPRGKRZSA-N 1 2 291.351 1.817 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+](C)[C@H]2CCCOC2)c(C#N)c1C ZINC000352195615 155013717 /nfs/dbraw/zinc/01/37/17/155013717.db2.gz RZIRRHGIEWMHQL-LBPRGKRZSA-N 1 2 291.351 1.817 20 30 CDEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cnccc1C#N ZINC000359089897 158124337 /nfs/dbraw/zinc/12/43/37/158124337.db2.gz DXLZMJUDXMMJKO-UHFFFAOYSA-N 1 2 295.346 1.758 20 30 CDEDLO CC(C)N1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cn3)C2)CC1 ZINC000363919756 159354184 /nfs/dbraw/zinc/35/41/84/159354184.db2.gz JYQHTEQRHCRCFW-MRXNPFEDSA-N 1 2 299.422 1.558 20 30 CDEDLO C=CCN(C(=O)N[C@H]1CCn2cc[nH+]c2C1)[C@@H](C)COC ZINC000664713988 413605604 /nfs/dbraw/zinc/60/56/04/413605604.db2.gz GOWPFBACZJFSOO-STQMWFEESA-N 1 2 292.383 1.430 20 30 CDEDLO CN1CC[N@H+](CC#Cc2ccc(F)cc2)CCC1=O ZINC000661808037 414378327 /nfs/dbraw/zinc/37/83/27/414378327.db2.gz OVHUNWVMYCZVGX-UHFFFAOYSA-N 1 2 260.312 1.341 20 30 CDEDLO CN1CC[N@@H+](CC#Cc2ccc(F)cc2)CCC1=O ZINC000661808037 414378334 /nfs/dbraw/zinc/37/83/34/414378334.db2.gz OVHUNWVMYCZVGX-UHFFFAOYSA-N 1 2 260.312 1.341 20 30 CDEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@@H]1CCCC[C@H]1O ZINC000328608053 225709568 /nfs/dbraw/zinc/70/95/68/225709568.db2.gz LSJHEIJVLDDRSJ-YNEHKIRRSA-N 1 2 292.383 1.568 20 30 CDEDLO CC#CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1F ZINC001588747374 1173103308 /nfs/dbraw/zinc/10/33/08/1173103308.db2.gz CIFFFTOOOFIIMF-UHFFFAOYSA-N 1 2 259.288 1.461 20 30 CDEDLO CC#CC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1F ZINC001588747374 1173103311 /nfs/dbraw/zinc/10/33/11/1173103311.db2.gz CIFFFTOOOFIIMF-UHFFFAOYSA-N 1 2 259.288 1.461 20 30 CDEDLO O=C(NC1CCOCC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330323542 228147415 /nfs/dbraw/zinc/14/74/15/228147415.db2.gz SYRABXFANRZJGB-UHFFFAOYSA-N 1 2 278.356 1.682 20 30 CDEDLO O=C(NC1CCOCC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000330323542 228147417 /nfs/dbraw/zinc/14/74/17/228147417.db2.gz SYRABXFANRZJGB-UHFFFAOYSA-N 1 2 278.356 1.682 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCC(=O)N2CCCC2)ccc1F ZINC000049066042 260203388 /nfs/dbraw/zinc/20/33/88/260203388.db2.gz OLBUGZUYDBAJKO-UHFFFAOYSA-N 1 2 279.315 1.393 20 30 CDEDLO C[C@H](NC(=O)C1(C#N)CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000408079583 260217823 /nfs/dbraw/zinc/21/78/23/260217823.db2.gz HUNCHOBEGRPKFY-KBPBESRZSA-N 1 2 293.411 1.686 20 30 CDEDLO C[C@H](C(=O)Nc1ccn(CCC#N)n1)[NH+]1CCSCC1 ZINC000152765596 261069046 /nfs/dbraw/zinc/06/90/46/261069046.db2.gz GGMKNGJLZACKBV-LLVKDONJSA-N 1 2 293.396 1.173 20 30 CDEDLO N#CCCCS(=O)(=O)Cc1cn2ccccc2[nH+]1 ZINC000190909098 262186646 /nfs/dbraw/zinc/18/66/46/262186646.db2.gz ONYXLRMKJMKTFH-UHFFFAOYSA-N 1 2 263.322 1.553 20 30 CDEDLO C[C@@H]([NH2+]CC(F)(F)CO)c1ccc(OCC#N)cc1 ZINC000184693843 262291785 /nfs/dbraw/zinc/29/17/85/262291785.db2.gz XSFLWVHWMVOUMD-SNVBAGLBSA-N 1 2 270.279 1.867 20 30 CDEDLO CCO[C@@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)C1=CCCC1 ZINC000521442768 262688407 /nfs/dbraw/zinc/68/84/07/262688407.db2.gz QLNSMBSRPKVOGI-HOCLYGCPSA-N 1 2 293.411 1.852 20 30 CDEDLO CC1(C#N)CC[NH+](CC(=O)NCc2cccnc2)CC1 ZINC000272617464 263007701 /nfs/dbraw/zinc/00/77/01/263007701.db2.gz UDJWJENVTLIANP-UHFFFAOYSA-N 1 2 272.352 1.323 20 30 CDEDLO COCCOCCO[NH+]=C(N)c1ccc(OC)c(OC)c1 ZINC000273583268 263018165 /nfs/dbraw/zinc/01/81/65/263018165.db2.gz PLRBLWOKDDJOIT-UHFFFAOYSA-N 1 2 298.339 1.004 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000340133027 263075077 /nfs/dbraw/zinc/07/50/77/263075077.db2.gz CVKRZGBTIKQNRO-ZIAGYGMSSA-N 1 2 257.337 1.679 20 30 CDEDLO CC[C@H](C#N)NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000340133027 263075078 /nfs/dbraw/zinc/07/50/78/263075078.db2.gz CVKRZGBTIKQNRO-ZIAGYGMSSA-N 1 2 257.337 1.679 20 30 CDEDLO CN(CCO[NH+]=C(N)[C@H]1CCCO1)c1ccccc1 ZINC000284623664 263087575 /nfs/dbraw/zinc/08/75/75/263087575.db2.gz ZSAKOXHILUMIKF-CYBMUJFWSA-N 1 2 263.341 1.591 20 30 CDEDLO CC(C)c1nc(CO[NH+]=C(N)[C@H]2CCCO2)no1 ZINC000284623679 263087782 /nfs/dbraw/zinc/08/77/82/263087782.db2.gz ZSCGMUMLFWZLIF-MRVPVSSYSA-N 1 2 254.290 1.161 20 30 CDEDLO CC(C)n1cnnc1C[N@H+](C)CCCSCC#N ZINC000292486056 263132852 /nfs/dbraw/zinc/13/28/52/263132852.db2.gz SOWOROXMXZQMCQ-UHFFFAOYSA-N 1 2 267.402 1.938 20 30 CDEDLO CC(C)n1cnnc1C[N@@H+](C)CCCSCC#N ZINC000292486056 263132853 /nfs/dbraw/zinc/13/28/53/263132853.db2.gz SOWOROXMXZQMCQ-UHFFFAOYSA-N 1 2 267.402 1.938 20 30 CDEDLO CCn1cc([C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)CCO2)cn1 ZINC000294660153 263165556 /nfs/dbraw/zinc/16/55/56/263165556.db2.gz RDZTXISIOFLUFP-YUELXQCFSA-N 1 2 274.368 1.969 20 30 CDEDLO CCn1cc([C@@H]2C[N@H+]([C@@H]3CC[C@@H](C#N)C3)CCO2)cn1 ZINC000294660153 263165557 /nfs/dbraw/zinc/16/55/57/263165557.db2.gz RDZTXISIOFLUFP-YUELXQCFSA-N 1 2 274.368 1.969 20 30 CDEDLO CCOC1C[NH+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000296166162 263187059 /nfs/dbraw/zinc/18/70/59/263187059.db2.gz NHYZKROVSJVFRS-AWEZNQCLSA-N 1 2 290.363 1.213 20 30 CDEDLO C=CCCS(=O)(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000120590631 263287522 /nfs/dbraw/zinc/28/75/22/263287522.db2.gz WPVVDGQEBZMDQM-UHFFFAOYSA-N 1 2 297.424 1.808 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1nnc(CCCC)s1 ZINC000121226861 263291731 /nfs/dbraw/zinc/29/17/31/263291731.db2.gz DUIKYBUTRFVIJR-UHFFFAOYSA-N 1 2 268.386 1.937 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1nnc(CCCC)s1 ZINC000121226861 263291732 /nfs/dbraw/zinc/29/17/32/263291732.db2.gz DUIKYBUTRFVIJR-UHFFFAOYSA-N 1 2 268.386 1.937 20 30 CDEDLO C[C@H]1OCC[N@@H+](CC#CCN2CCO[C@@H](C)[C@H]2C)[C@H]1C ZINC000341873075 263361307 /nfs/dbraw/zinc/36/13/07/263361307.db2.gz RNKMASSTKBXSRI-SYMSYNOKSA-N 1 2 280.412 1.208 20 30 CDEDLO C[C@H]1OCC[N@H+](CC#CCN2CCO[C@@H](C)[C@H]2C)[C@H]1C ZINC000341873075 263361310 /nfs/dbraw/zinc/36/13/10/263361310.db2.gz RNKMASSTKBXSRI-SYMSYNOKSA-N 1 2 280.412 1.208 20 30 CDEDLO C[C@H]1OCCN(CC#CC[N@@H+]2CCO[C@@H](C)[C@H]2C)[C@H]1C ZINC000341873075 263361313 /nfs/dbraw/zinc/36/13/13/263361313.db2.gz RNKMASSTKBXSRI-SYMSYNOKSA-N 1 2 280.412 1.208 20 30 CDEDLO C[C@H]1OCCN(CC#CC[N@H+]2CCO[C@@H](C)[C@H]2C)[C@H]1C ZINC000341873075 263361315 /nfs/dbraw/zinc/36/13/15/263361315.db2.gz RNKMASSTKBXSRI-SYMSYNOKSA-N 1 2 280.412 1.208 20 30 CDEDLO C=C1CC[NH+](CC(=O)N[C@@H](C(C)=O)C(C)C)CC1 ZINC000341989853 263381753 /nfs/dbraw/zinc/38/17/53/263381753.db2.gz BAVQWTGHQDWSQM-CQSZACIVSA-N 1 2 252.358 1.368 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCCOC2)C1 ZINC000328858663 263881599 /nfs/dbraw/zinc/88/15/99/263881599.db2.gz LAEXGWMKNMBRLJ-VXGBXAGGSA-N 1 2 278.356 1.302 20 30 CDEDLO CC(C)[C@H]1C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000330730724 264036718 /nfs/dbraw/zinc/03/67/18/264036718.db2.gz IHTZYHOMUHDINE-QWHCGFSZSA-N 1 2 267.373 1.104 20 30 CDEDLO CC(C)[C@H]1C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000330730724 264036721 /nfs/dbraw/zinc/03/67/21/264036721.db2.gz IHTZYHOMUHDINE-QWHCGFSZSA-N 1 2 267.373 1.104 20 30 CDEDLO Cc1nc(C)c(C(=O)NCC[N@H+]2CCOC[C@@H]2C)nc1C ZINC000330910940 264075588 /nfs/dbraw/zinc/07/55/88/264075588.db2.gz FXNYHOMGNHPGFX-JTQLQIEISA-N 1 2 292.383 1.427 20 30 CDEDLO Cc1nc(C)c(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)nc1C ZINC000330910940 264075592 /nfs/dbraw/zinc/07/55/92/264075592.db2.gz FXNYHOMGNHPGFX-JTQLQIEISA-N 1 2 292.383 1.427 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000331070775 264113831 /nfs/dbraw/zinc/11/38/31/264113831.db2.gz RXCWKNJNRBPGNZ-STQMWFEESA-N 1 2 281.400 1.494 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000331070775 264113834 /nfs/dbraw/zinc/11/38/34/264113834.db2.gz RXCWKNJNRBPGNZ-STQMWFEESA-N 1 2 281.400 1.494 20 30 CDEDLO CC(C)n1cc[nH+]c1CS(=O)(=O)CCCC#N ZINC000331091415 264133809 /nfs/dbraw/zinc/13/38/09/264133809.db2.gz WLXSWQGBWMEMIA-UHFFFAOYSA-N 1 2 255.343 1.683 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000072906937 264281462 /nfs/dbraw/zinc/28/14/62/264281462.db2.gz VZWLYXCUBKYINW-ZDUSSCGKSA-N 1 2 258.365 1.344 20 30 CDEDLO C=CCNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056862326 264394980 /nfs/dbraw/zinc/39/49/80/264394980.db2.gz POTWQRZELXFNNU-UHFFFAOYSA-N 1 2 256.309 1.858 20 30 CDEDLO C=CCNC(=O)c1ccc(N(C)Cc2[nH]cc[nH+]2)nc1 ZINC000428124791 264964101 /nfs/dbraw/zinc/96/41/01/264964101.db2.gz LOZVNBTUEAGJOJ-UHFFFAOYSA-N 1 2 271.324 1.357 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000345808511 265100583 /nfs/dbraw/zinc/10/05/83/265100583.db2.gz IHPAVEGFWLEKGJ-RYUDHWBXSA-N 1 2 279.384 1.437 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000345808511 265100584 /nfs/dbraw/zinc/10/05/84/265100584.db2.gz IHPAVEGFWLEKGJ-RYUDHWBXSA-N 1 2 279.384 1.437 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CC[C@H](OCCOC)C2)nn1 ZINC000653633341 424382151 /nfs/dbraw/zinc/38/21/51/424382151.db2.gz ZZEGKYMJNKHIML-AWEZNQCLSA-N 1 2 280.372 1.092 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](OCCOC)C2)nn1 ZINC000653633341 424382159 /nfs/dbraw/zinc/38/21/59/424382159.db2.gz ZZEGKYMJNKHIML-AWEZNQCLSA-N 1 2 280.372 1.092 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc2ncccc2c1 ZINC000519739826 265565225 /nfs/dbraw/zinc/56/52/25/265565225.db2.gz WEKUXUPZUCUICF-MRXNPFEDSA-N 1 2 282.347 1.808 20 30 CDEDLO Cn1c(CC#N)nnc1SCc1cn2ccccc2[nH+]1 ZINC000357099534 266247564 /nfs/dbraw/zinc/24/75/64/266247564.db2.gz AXDFROBOFJWXHY-UHFFFAOYSA-N 1 2 284.348 1.821 20 30 CDEDLO N#CCNC(=O)C[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000362588817 267012838 /nfs/dbraw/zinc/01/28/38/267012838.db2.gz MFJBLYYPIWYXFJ-UHFFFAOYSA-N 1 2 293.317 1.784 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000368902820 267211289 /nfs/dbraw/zinc/21/12/89/267211289.db2.gz VNBNACXHDQBNHO-UHFFFAOYSA-N 1 2 267.760 1.915 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000368902820 267211291 /nfs/dbraw/zinc/21/12/91/267211291.db2.gz VNBNACXHDQBNHO-UHFFFAOYSA-N 1 2 267.760 1.915 20 30 CDEDLO CC#CCNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000370133326 267292982 /nfs/dbraw/zinc/29/29/82/267292982.db2.gz QRDMOZHOOVHCBK-GFCCVEGCSA-N 1 2 260.341 1.332 20 30 CDEDLO N#Cc1ccc(CC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000070159172 279207736 /nfs/dbraw/zinc/20/77/36/279207736.db2.gz GSSQQJZDDVWKMY-UHFFFAOYSA-N 1 2 282.347 1.894 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCOCC12CCCC2 ZINC000367172499 280101867 /nfs/dbraw/zinc/10/18/67/280101867.db2.gz YGWZMOWHFSJXPR-OAHLLOKOSA-N 1 2 293.411 1.686 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCOCC12CCCC2 ZINC000367172499 280101869 /nfs/dbraw/zinc/10/18/69/280101869.db2.gz YGWZMOWHFSJXPR-OAHLLOKOSA-N 1 2 293.411 1.686 20 30 CDEDLO Cc1cc(N[C@@H]2CCc3n[nH]cc3C2)c(C#N)c[nH+]1 ZINC000425230689 280300235 /nfs/dbraw/zinc/30/02/35/280300235.db2.gz RQTHYZNXONRSII-GFCCVEGCSA-N 1 2 253.309 1.376 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CCOC[C@H](C)C2)c(C#N)c1C ZINC000374357149 294036499 /nfs/dbraw/zinc/03/64/99/294036499.db2.gz JSSHURANPAZYEQ-SNVBAGLBSA-N 1 2 291.351 1.675 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CCOC[C@H](C)C2)c(C#N)c1C ZINC000374357149 294036500 /nfs/dbraw/zinc/03/65/00/294036500.db2.gz JSSHURANPAZYEQ-SNVBAGLBSA-N 1 2 291.351 1.675 20 30 CDEDLO Cc1c[nH]c(C(C)(C)NC(=O)Cc2noc(C)c2C#N)[nH+]1 ZINC000568521165 294053378 /nfs/dbraw/zinc/05/33/78/294053378.db2.gz TUSHPTIBMLMBNH-UHFFFAOYSA-N 1 2 287.323 1.480 20 30 CDEDLO CC[C@H](F)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000569744377 316842078 /nfs/dbraw/zinc/84/20/78/316842078.db2.gz JQYWMJUWHQVAFW-AWEZNQCLSA-N 1 2 293.342 1.300 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@]2(C)CO)c(C#N)c1C ZINC000577327811 317306799 /nfs/dbraw/zinc/30/67/99/317306799.db2.gz ICJVHSMFZPRMSI-OAHLLOKOSA-N 1 2 291.351 1.553 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@]2(C)CO)c(C#N)c1C ZINC000577327811 317306802 /nfs/dbraw/zinc/30/68/02/317306802.db2.gz ICJVHSMFZPRMSI-OAHLLOKOSA-N 1 2 291.351 1.553 20 30 CDEDLO COc1cc[nH+]cc1CO/N=C(\C)c1cnn(C)c1 ZINC000288666164 328253372 /nfs/dbraw/zinc/25/33/72/328253372.db2.gz RVDPCOKEWZJASA-MHWRWJLKSA-N 1 2 260.297 1.765 20 30 CDEDLO N#CCCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298197103 328295509 /nfs/dbraw/zinc/29/55/09/328295509.db2.gz XMXIIGUUOPTHMQ-UHFFFAOYSA-N 1 2 275.312 1.416 20 30 CDEDLO C=CCOc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000112129048 328386432 /nfs/dbraw/zinc/38/64/32/328386432.db2.gz AAALHBVFZOVHDX-UHFFFAOYSA-N 1 2 274.364 1.916 20 30 CDEDLO C[C@H]1c2cccn2CC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000579834985 324295656 /nfs/dbraw/zinc/29/56/56/324295656.db2.gz OZNGVRSZALXPDB-LBPRGKRZSA-N 1 2 292.346 1.979 20 30 CDEDLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000579834985 324295658 /nfs/dbraw/zinc/29/56/58/324295658.db2.gz OZNGVRSZALXPDB-LBPRGKRZSA-N 1 2 292.346 1.979 20 30 CDEDLO N#Cc1ccc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)nc1 ZINC000582930492 325072095 /nfs/dbraw/zinc/07/20/95/325072095.db2.gz KZFFBMFTYAPAKP-ZDUSSCGKSA-N 1 2 297.318 1.539 20 30 CDEDLO N#Cc1ccc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)nc1 ZINC000582930492 325072098 /nfs/dbraw/zinc/07/20/98/325072098.db2.gz KZFFBMFTYAPAKP-ZDUSSCGKSA-N 1 2 297.318 1.539 20 30 CDEDLO Cc1cccc([C@@H]2C(=O)NCC[N@H+]2CCCC#N)c1 ZINC000569355488 327161138 /nfs/dbraw/zinc/16/11/38/327161138.db2.gz OQBYIZPXNYUTBE-CQSZACIVSA-N 1 2 257.337 1.772 20 30 CDEDLO Cc1cccc([C@@H]2C(=O)NCC[N@@H+]2CCCC#N)c1 ZINC000569355488 327161140 /nfs/dbraw/zinc/16/11/40/327161140.db2.gz OQBYIZPXNYUTBE-CQSZACIVSA-N 1 2 257.337 1.772 20 30 CDEDLO CCC(CC)[C@@H](C(=O)NCC1(C#N)CC1)[NH+]1CCOCC1 ZINC000559610061 327255396 /nfs/dbraw/zinc/25/53/96/327255396.db2.gz GOYHBXGJBZHYLR-AWEZNQCLSA-N 1 2 293.411 1.543 20 30 CDEDLO NC(COc1ccccc1)=[NH+]OCCC1OCCO1 ZINC000120153363 327341003 /nfs/dbraw/zinc/34/10/03/327341003.db2.gz KTKDWTAEAYNTOT-UHFFFAOYSA-N 1 2 266.297 1.117 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000579113909 327356766 /nfs/dbraw/zinc/35/67/66/327356766.db2.gz WUTSVJPIRNSOTA-VXGBXAGGSA-N 1 2 260.341 1.454 20 30 CDEDLO C#CCCS(=O)(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000377342261 329012002 /nfs/dbraw/zinc/01/20/02/329012002.db2.gz IFJCMYPITTXQMY-CYBMUJFWSA-N 1 2 295.408 1.028 20 30 CDEDLO N#CC1(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CCCC1 ZINC000377419258 329014982 /nfs/dbraw/zinc/01/49/82/329014982.db2.gz OFXJLXZUAPKRAC-UHFFFAOYSA-N 1 2 295.346 1.967 20 30 CDEDLO C=CCCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174494347 329158710 /nfs/dbraw/zinc/15/87/10/329158710.db2.gz AKXUWHJASQOBQO-ZDUSSCGKSA-N 1 2 252.358 1.276 20 30 CDEDLO C=C(C)COCCNC(=O)NCCCn1cc[nH+]c1 ZINC000177707336 329189692 /nfs/dbraw/zinc/18/96/92/329189692.db2.gz GMNSNKQOSPSTLW-UHFFFAOYSA-N 1 2 266.345 1.165 20 30 CDEDLO C[N@H+](CC(=O)NC(=O)NC1CCCCC1)CC(C)(C)C#N ZINC000433298102 330216649 /nfs/dbraw/zinc/21/66/49/330216649.db2.gz YHIRMTJWJDFLKT-UHFFFAOYSA-N 1 2 294.399 1.626 20 30 CDEDLO C[N@@H+](CC(=O)NC(=O)NC1CCCCC1)CC(C)(C)C#N ZINC000433298102 330216650 /nfs/dbraw/zinc/21/66/50/330216650.db2.gz YHIRMTJWJDFLKT-UHFFFAOYSA-N 1 2 294.399 1.626 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2c(C)nn(CCC)c2C)nn1 ZINC000424174939 330315280 /nfs/dbraw/zinc/31/52/80/330315280.db2.gz SNRLEMNFYRMRKY-UHFFFAOYSA-N 1 2 288.399 1.977 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000424546091 330373260 /nfs/dbraw/zinc/37/32/60/330373260.db2.gz PXNDBTCKBSMFDI-UHFFFAOYSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CCCCCNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000434371196 330638484 /nfs/dbraw/zinc/63/84/84/330638484.db2.gz RYOPTRMOTAZPHC-AWEZNQCLSA-N 1 2 283.416 1.705 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)CC1(C#N)CCC1 ZINC000450875491 331004317 /nfs/dbraw/zinc/00/43/17/331004317.db2.gz HVHOPTAUJJAYNH-ZDUSSCGKSA-N 1 2 251.374 1.333 20 30 CDEDLO Cc1cc[nH+]cc1N1CCN(C(=O)[C@@]2(C#N)C[C@H]2C)CC1 ZINC000451423429 331028859 /nfs/dbraw/zinc/02/88/59/331028859.db2.gz CREVHYXZLRGZOT-CZUORRHYSA-N 1 2 284.363 1.588 20 30 CDEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)N[C@H](C(C)=O)C(C)C ZINC000489399193 332050295 /nfs/dbraw/zinc/05/02/95/332050295.db2.gz IXCJMIFDQBUDTB-ZFWWWQNUSA-N 1 2 266.385 1.757 20 30 CDEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)N[C@H](C(C)=O)C(C)C ZINC000489399193 332050296 /nfs/dbraw/zinc/05/02/96/332050296.db2.gz IXCJMIFDQBUDTB-ZFWWWQNUSA-N 1 2 266.385 1.757 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000490655923 332100222 /nfs/dbraw/zinc/10/02/22/332100222.db2.gz DZFSQGWPCWCPLU-MNOVXSKESA-N 1 2 292.301 1.168 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000490655923 332100223 /nfs/dbraw/zinc/10/02/23/332100223.db2.gz DZFSQGWPCWCPLU-MNOVXSKESA-N 1 2 292.301 1.168 20 30 CDEDLO C#CCN(CC)C(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000490713396 332106746 /nfs/dbraw/zinc/10/67/46/332106746.db2.gz JXEUHCYFAIKRHI-UHFFFAOYSA-N 1 2 255.321 1.977 20 30 CDEDLO C#CCN(Cc1ccccc1)C(=O)Cn1cc[nH+]c1 ZINC000491218863 332167854 /nfs/dbraw/zinc/16/78/54/332167854.db2.gz AROUUFNINPGBRB-UHFFFAOYSA-N 1 2 253.305 1.545 20 30 CDEDLO C#CC(C)(C)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000491427241 332209524 /nfs/dbraw/zinc/20/95/24/332209524.db2.gz JRHZNCGYQNEVRP-UHFFFAOYSA-N 1 2 258.312 1.492 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000491513508 332226306 /nfs/dbraw/zinc/22/63/06/332226306.db2.gz CLKKBFXJYKYZLK-QWRGUYRKSA-N 1 2 260.341 1.368 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000491513508 332226307 /nfs/dbraw/zinc/22/63/07/332226307.db2.gz CLKKBFXJYKYZLK-QWRGUYRKSA-N 1 2 260.341 1.368 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@@](C)(c2ccccn2)CC1=O ZINC000491526063 332230495 /nfs/dbraw/zinc/23/04/95/332230495.db2.gz WVKVKMCFNWESRG-CJNGLKHVSA-N 1 2 271.364 1.483 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@@](C)(c2ccccn2)CC1=O ZINC000491526063 332230497 /nfs/dbraw/zinc/23/04/97/332230497.db2.gz WVKVKMCFNWESRG-CJNGLKHVSA-N 1 2 271.364 1.483 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](O)COCc1ccccc1F ZINC000491624420 332248834 /nfs/dbraw/zinc/24/88/34/332248834.db2.gz GYXKLWMCVAGERY-LSDHHAIUSA-N 1 2 293.338 1.037 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](O)COCc1ccccc1F ZINC000491624420 332248835 /nfs/dbraw/zinc/24/88/35/332248835.db2.gz GYXKLWMCVAGERY-LSDHHAIUSA-N 1 2 293.338 1.037 20 30 CDEDLO C#CC[N@@H+](CCOCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491627912 332251217 /nfs/dbraw/zinc/25/12/17/332251217.db2.gz KATUTFRKDCKVLJ-OAHLLOKOSA-N 1 2 299.436 1.316 20 30 CDEDLO C#CC[N@H+](CCOCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491627912 332251218 /nfs/dbraw/zinc/25/12/18/332251218.db2.gz KATUTFRKDCKVLJ-OAHLLOKOSA-N 1 2 299.436 1.316 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000491644233 332262566 /nfs/dbraw/zinc/26/25/66/332262566.db2.gz JNKLAGWXKUJVLO-NSHDSACASA-N 1 2 274.320 1.350 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000491644233 332262567 /nfs/dbraw/zinc/26/25/67/332262567.db2.gz JNKLAGWXKUJVLO-NSHDSACASA-N 1 2 274.320 1.350 20 30 CDEDLO C#C[C@H](CCC)NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000491652734 332265430 /nfs/dbraw/zinc/26/54/30/332265430.db2.gz MMHBTMZVWIPDQE-QJPTWQEYSA-N 1 2 260.341 1.990 20 30 CDEDLO C#C[C@H](CCC)NC(=O)NCCNc1cccc[nH+]1 ZINC000491701763 332296105 /nfs/dbraw/zinc/29/61/05/332296105.db2.gz GKCPSDIPWRDCCI-GFCCVEGCSA-N 1 2 260.341 1.595 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1C ZINC000491706734 332299605 /nfs/dbraw/zinc/29/96/05/332299605.db2.gz FCSBICXNJFHYOM-CQSZACIVSA-N 1 2 272.348 1.658 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1C ZINC000491706734 332299606 /nfs/dbraw/zinc/29/96/06/332299606.db2.gz FCSBICXNJFHYOM-CQSZACIVSA-N 1 2 272.348 1.658 20 30 CDEDLO C#C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC000491709681 332301747 /nfs/dbraw/zinc/30/17/47/332301747.db2.gz RBSRFBXFLKBZPL-WCQYABFASA-N 1 2 259.353 1.610 20 30 CDEDLO C#C[C@H](CCC)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000491752483 332328416 /nfs/dbraw/zinc/32/84/16/332328416.db2.gz ZOARQMKFGJNIBK-CYBMUJFWSA-N 1 2 274.368 1.749 20 30 CDEDLO C#C[C@@H](NC(=O)N[C@H](C)C[NH+]1CCOCC1)C(C)(C)C ZINC000491770368 332337238 /nfs/dbraw/zinc/33/72/38/332337238.db2.gz PRNOMOJIQUOJFM-CHWSQXEVSA-N 1 2 281.400 1.054 20 30 CDEDLO C#CC[N@@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)C1CC1 ZINC000491777873 332343103 /nfs/dbraw/zinc/34/31/03/332343103.db2.gz XSKJKEYGMPULFQ-HNNXBMFYSA-N 1 2 284.359 1.204 20 30 CDEDLO C#CC[N@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)C1CC1 ZINC000491777873 332343105 /nfs/dbraw/zinc/34/31/05/332343105.db2.gz XSKJKEYGMPULFQ-HNNXBMFYSA-N 1 2 284.359 1.204 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@](C)(C2CCCCC2)C1=O ZINC000491788310 332350624 /nfs/dbraw/zinc/35/06/24/332350624.db2.gz XNYTYBRURZXDGA-BLLLJJGKSA-N 1 2 291.395 1.788 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@](C)(C2CCCCC2)C1=O ZINC000491788310 332350626 /nfs/dbraw/zinc/35/06/26/332350626.db2.gz XNYTYBRURZXDGA-BLLLJJGKSA-N 1 2 291.395 1.788 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000174529604 333001365 /nfs/dbraw/zinc/00/13/65/333001365.db2.gz DPJKZMZBRCPRMP-CQSZACIVSA-N 1 2 286.350 1.914 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CC[C@@H]1CCCCO1 ZINC000521882251 333195531 /nfs/dbraw/zinc/19/55/31/333195531.db2.gz BSLDCDFQECGNEC-GXTWGEPZSA-N 1 2 267.373 1.296 20 30 CDEDLO C#CC[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000128650123 333691881 /nfs/dbraw/zinc/69/18/81/333691881.db2.gz RSUIRDAIMUXZLG-UHFFFAOYSA-N 1 2 254.337 1.314 20 30 CDEDLO Cc1nc(N2CCN(CC#N)CC2)c2c([nH+]1)CCCC2 ZINC000541079085 333761680 /nfs/dbraw/zinc/76/16/80/333761680.db2.gz ZNZYBPCCXFKXMP-UHFFFAOYSA-N 1 2 271.368 1.309 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCc2ccsc2C1 ZINC000132920662 334010620 /nfs/dbraw/zinc/01/06/20/334010620.db2.gz IHBALRMVBPLMCE-UHFFFAOYSA-N 1 2 279.365 1.118 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCc2ccsc2C1 ZINC000132920662 334010621 /nfs/dbraw/zinc/01/06/21/334010621.db2.gz IHBALRMVBPLMCE-UHFFFAOYSA-N 1 2 279.365 1.118 20 30 CDEDLO N#CCN1CC[NH+](Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000136417875 334154218 /nfs/dbraw/zinc/15/42/18/334154218.db2.gz LVRUZIDGSNUUDJ-UHFFFAOYSA-N 1 2 291.782 1.916 20 30 CDEDLO C[C@@H](C#N)S(=O)(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000251017300 334354569 /nfs/dbraw/zinc/35/45/69/334354569.db2.gz BFXODPGINOZNOS-JSGCOSHPSA-N 1 2 293.392 1.217 20 30 CDEDLO C[C@@H](C#N)S(=O)(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000251017300 334354571 /nfs/dbraw/zinc/35/45/71/334354571.db2.gz BFXODPGINOZNOS-JSGCOSHPSA-N 1 2 293.392 1.217 20 30 CDEDLO C[C@@H]1CC[C@@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000567995720 334782597 /nfs/dbraw/zinc/78/25/97/334782597.db2.gz TZOKIPXYWUAMKY-BZPMIXESSA-N 1 2 251.374 1.773 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCCO[C@H](CF)C2)CCCCC1 ZINC000576485577 335210600 /nfs/dbraw/zinc/21/06/00/335210600.db2.gz LJWYVGZVGDTKJR-CYBMUJFWSA-N 1 2 297.374 1.389 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCCO[C@H](CF)C2)CCCCC1 ZINC000576485577 335210602 /nfs/dbraw/zinc/21/06/02/335210602.db2.gz LJWYVGZVGDTKJR-CYBMUJFWSA-N 1 2 297.374 1.389 20 30 CDEDLO COC(=O)c1ccsc1N1CC[C@H]([NH2+]CCC#N)C1=O ZINC000579943116 335932989 /nfs/dbraw/zinc/93/29/89/335932989.db2.gz BFEZQCPODUBDAB-JTQLQIEISA-N 1 2 293.348 1.143 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1[nH+]cnc2c1OCCN2 ZINC000665716447 482568836 /nfs/dbraw/zinc/56/88/36/482568836.db2.gz HFPYLXIYURLUAW-MNOVXSKESA-N 1 2 276.340 1.674 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1nc[nH+]c2c1OCCN2 ZINC000665716447 482568839 /nfs/dbraw/zinc/56/88/39/482568839.db2.gz HFPYLXIYURLUAW-MNOVXSKESA-N 1 2 276.340 1.674 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc[nH]1)C1CC1 ZINC001731872000 1182641806 /nfs/dbraw/zinc/64/18/06/1182641806.db2.gz GTPFSNWZZSMFIO-UHFFFAOYSA-N 1 2 267.760 1.961 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc[nH]1)C1CC1 ZINC001731872000 1182641809 /nfs/dbraw/zinc/64/18/09/1182641809.db2.gz GTPFSNWZZSMFIO-UHFFFAOYSA-N 1 2 267.760 1.961 20 30 CDEDLO C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000330029193 534168060 /nfs/dbraw/zinc/16/80/60/534168060.db2.gz PQXUYPQOWOGZHZ-UBHSHLNASA-N 1 2 282.384 1.764 20 30 CDEDLO C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000330029193 534168066 /nfs/dbraw/zinc/16/80/66/534168066.db2.gz PQXUYPQOWOGZHZ-UBHSHLNASA-N 1 2 282.384 1.764 20 30 CDEDLO C[C@H](C#N)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000347076532 534286282 /nfs/dbraw/zinc/28/62/82/534286282.db2.gz TVMKDEUFFATGQB-SSDOTTSWSA-N 1 2 250.327 1.229 20 30 CDEDLO C[C@H](C#N)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000347076532 534286285 /nfs/dbraw/zinc/28/62/85/534286285.db2.gz TVMKDEUFFATGQB-SSDOTTSWSA-N 1 2 250.327 1.229 20 30 CDEDLO C#C[C@@H](C)[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000184695396 518352291 /nfs/dbraw/zinc/35/22/91/518352291.db2.gz HUPUTNBHRKUPPD-KCJUWKMLSA-N 1 2 281.153 1.587 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH2+][C@@H](COC)c1ccc(CC)o1 ZINC000184776536 518922903 /nfs/dbraw/zinc/92/29/03/518922903.db2.gz IJJAMQINCKZZDS-AAEUAGOBSA-N 1 2 280.368 1.810 20 30 CDEDLO Cc1nc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)sc1C ZINC000329966417 534452083 /nfs/dbraw/zinc/45/20/83/534452083.db2.gz VOKUVZVRKHLCBG-QWRGUYRKSA-N 1 2 296.396 1.320 20 30 CDEDLO Cc1nc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)sc1C ZINC000329966417 534452089 /nfs/dbraw/zinc/45/20/89/534452089.db2.gz VOKUVZVRKHLCBG-QWRGUYRKSA-N 1 2 296.396 1.320 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C(C)(C)C#N)CCC2 ZINC000336530156 534510624 /nfs/dbraw/zinc/51/06/24/534510624.db2.gz LVKFRHIOMADLNL-NSHDSACASA-N 1 2 260.341 1.735 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@](C)(NC(C)=O)C2CC2)CC1 ZINC001113529316 1162207370 /nfs/dbraw/zinc/20/73/70/1162207370.db2.gz MMGITVLHGIYUAJ-MRXNPFEDSA-N 1 2 293.411 1.012 20 30 CDEDLO COc1cc(CNc2ccc(CO)c[nH+]2)ccc1C#N ZINC000356311387 522406053 /nfs/dbraw/zinc/40/60/53/522406053.db2.gz YXNZQUZDEUHOMY-UHFFFAOYSA-N 1 2 269.304 1.488 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)Nc1ncc([N+](=O)[O-])cc1C#N ZINC000050442458 524794087 /nfs/dbraw/zinc/79/40/87/524794087.db2.gz DGRULGRXPVVKKR-SECBINFHSA-N 1 2 272.268 1.559 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](CCOC)Cc2ccccn2)C1=O ZINC000347263883 526505684 /nfs/dbraw/zinc/50/56/84/526505684.db2.gz VVQSUTZMQVKUTL-HNNXBMFYSA-N 1 2 289.379 1.317 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](CCOC)Cc2ccccn2)C1=O ZINC000347263883 526505688 /nfs/dbraw/zinc/50/56/88/526505688.db2.gz VVQSUTZMQVKUTL-HNNXBMFYSA-N 1 2 289.379 1.317 20 30 CDEDLO C=C(C)C[N@@H+](CC(=O)N(C)C)Cc1ccc(CO)o1 ZINC000352869703 526508778 /nfs/dbraw/zinc/50/87/78/526508778.db2.gz OSNRYFKKPFRVJD-UHFFFAOYSA-N 1 2 266.341 1.238 20 30 CDEDLO C=C(C)C[N@H+](CC(=O)N(C)C)Cc1ccc(CO)o1 ZINC000352869703 526508782 /nfs/dbraw/zinc/50/87/82/526508782.db2.gz OSNRYFKKPFRVJD-UHFFFAOYSA-N 1 2 266.341 1.238 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000300074720 526735254 /nfs/dbraw/zinc/73/52/54/526735254.db2.gz FHDQLPGNOYDSCX-ZIAGYGMSSA-N 1 2 255.321 1.269 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000300074720 526735258 /nfs/dbraw/zinc/73/52/58/526735258.db2.gz FHDQLPGNOYDSCX-ZIAGYGMSSA-N 1 2 255.321 1.269 20 30 CDEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H](CO)C2)cc1 ZINC000353610918 526869856 /nfs/dbraw/zinc/86/98/56/526869856.db2.gz BLKZKFKOMHKVHJ-HNNXBMFYSA-N 1 2 263.337 1.445 20 30 CDEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H](CO)C2)cc1 ZINC000353610918 526869861 /nfs/dbraw/zinc/86/98/61/526869861.db2.gz BLKZKFKOMHKVHJ-HNNXBMFYSA-N 1 2 263.337 1.445 20 30 CDEDLO C=C1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000335986144 526894389 /nfs/dbraw/zinc/89/43/89/526894389.db2.gz WYZZKXHAJKHCQK-UHFFFAOYSA-N 1 2 264.369 1.420 20 30 CDEDLO C=CCCCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347278268 527107114 /nfs/dbraw/zinc/10/71/14/527107114.db2.gz OAXVOUQTIDZVDU-UHFFFAOYSA-N 1 2 252.358 1.324 20 30 CDEDLO CCN1C[C@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1=O ZINC000330318028 527953337 /nfs/dbraw/zinc/95/33/37/527953337.db2.gz QRRKGEZVLZJUTI-GHMZBOCLSA-N 1 2 276.340 1.023 20 30 CDEDLO CC1CCC(NC(=O)C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC000329013923 528165937 /nfs/dbraw/zinc/16/59/37/528165937.db2.gz FPWXHWLSGOCDLZ-JXQTWKCFSA-N 1 2 293.411 1.828 20 30 CDEDLO CC1CCC(NC(=O)C[N@H+]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC000329013923 528165943 /nfs/dbraw/zinc/16/59/43/528165943.db2.gz FPWXHWLSGOCDLZ-JXQTWKCFSA-N 1 2 293.411 1.828 20 30 CDEDLO CCOCCCNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N ZINC000353465610 528682776 /nfs/dbraw/zinc/68/27/76/528682776.db2.gz YTPAUZAHXGKGLD-VXGBXAGGSA-N 1 2 255.362 1.009 20 30 CDEDLO CCOCCCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000353465610 528682780 /nfs/dbraw/zinc/68/27/80/528682780.db2.gz YTPAUZAHXGKGLD-VXGBXAGGSA-N 1 2 255.362 1.009 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000331571202 528694272 /nfs/dbraw/zinc/69/42/72/528694272.db2.gz ZMKJHKNXLNJZGW-TZMCWYRMSA-N 1 2 279.384 1.105 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000331571202 528694276 /nfs/dbraw/zinc/69/42/76/528694276.db2.gz ZMKJHKNXLNJZGW-TZMCWYRMSA-N 1 2 279.384 1.105 20 30 CDEDLO CC1(C#N)CC[NH+](Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000332631129 528841049 /nfs/dbraw/zinc/84/10/49/528841049.db2.gz OYQQVUWQEPIMHM-UHFFFAOYSA-N 1 2 271.324 1.148 20 30 CDEDLO CCN1CCN(C(=O)[C@](C)(C#N)CC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000354974908 529133421 /nfs/dbraw/zinc/13/34/21/529133421.db2.gz OJBNTYRBVLQFNG-DOMZBBRYSA-N 1 2 289.383 1.555 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000352279917 529350890 /nfs/dbraw/zinc/35/08/90/529350890.db2.gz FUBGFQLJQTXPRX-SGMGOOAPSA-N 1 2 267.373 1.152 20 30 CDEDLO Cc1cnc([C@@H](C)NC(=O)N2CCn3c[nH+]cc3C2)o1 ZINC000329537430 538580017 /nfs/dbraw/zinc/58/00/17/538580017.db2.gz BNMUGLPBTJRYFZ-SNVBAGLBSA-N 1 2 275.312 1.670 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@H](C)c3ccccc32)CC1 ZINC000748812411 574525980 /nfs/dbraw/zinc/52/59/80/574525980.db2.gz DBNADBFYXPQRFY-HNNXBMFYSA-N 1 2 297.402 1.388 20 30 CDEDLO CC(C)(C)OC(=O)C1CC[NH+](CC(=O)NCCC#N)CC1 ZINC000727437962 574583809 /nfs/dbraw/zinc/58/38/09/574583809.db2.gz UPKNWMJKKRUOFM-UHFFFAOYSA-N 1 2 295.383 1.070 20 30 CDEDLO C=CCNC(=O)[C@H](C)OC(=O)c1ccc2[nH+]ccn2c1 ZINC000731907739 575070121 /nfs/dbraw/zinc/07/01/21/575070121.db2.gz MFDUMCNVTZYTDI-JTQLQIEISA-N 1 2 273.292 1.182 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CCc2ccc(N(C)C)cc2)CC1 ZINC000733162316 575102416 /nfs/dbraw/zinc/10/24/16/575102416.db2.gz LHMWSBLGOPMUQQ-UHFFFAOYSA-N 1 2 299.418 1.463 20 30 CDEDLO C[C@H]1CCCC[C@@H]1NC(=S)NN=Cc1c[nH+]cn1C ZINC000755518425 575155373 /nfs/dbraw/zinc/15/53/73/575155373.db2.gz BICMJYCXNFROJL-JQWIXIFHSA-N 1 2 279.413 1.797 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000769644566 575366946 /nfs/dbraw/zinc/36/69/46/575366946.db2.gz CFUCMHPUPHOLCD-AWEZNQCLSA-N 1 2 286.375 1.613 20 30 CDEDLO C=C(C)CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735398589 575463595 /nfs/dbraw/zinc/46/35/95/575463595.db2.gz JPVMZVYTCRIVPD-UHFFFAOYSA-N 1 2 298.394 1.560 20 30 CDEDLO CN(CCO)c1ccc(C=[NH+]Nc2cccnn2)cc1 ZINC000735974733 575544512 /nfs/dbraw/zinc/54/45/12/575544512.db2.gz MYAQZUYZENXNHX-UHFFFAOYSA-N 1 2 271.324 1.351 20 30 CDEDLO C[C@H]1C[N@H+](Cc2ccccc2)CC1=NNS(C)(=O)=O ZINC000764701424 575935489 /nfs/dbraw/zinc/93/54/89/575935489.db2.gz OWVSKZLWTOQZKF-NSHDSACASA-N 1 2 281.381 1.044 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2ccccc2)CC1=NNS(C)(=O)=O ZINC000764701424 575935491 /nfs/dbraw/zinc/93/54/91/575935491.db2.gz OWVSKZLWTOQZKF-NSHDSACASA-N 1 2 281.381 1.044 20 30 CDEDLO CCC(CC)[C@@H](C(=O)NC1=NO[C@H](C)C1)[NH+]1CCOCC1 ZINC000765375244 576012557 /nfs/dbraw/zinc/01/25/57/576012557.db2.gz GMMFHZFXURBZBT-RISCZKNCSA-N 1 2 297.399 1.362 20 30 CDEDLO CN(C)c1nc(Cl)c(C=[NH+]N2CCOCC2)s1 ZINC000767055857 576154702 /nfs/dbraw/zinc/15/47/02/576154702.db2.gz LOKCYRZXLBZGKU-UHFFFAOYSA-N 1 2 274.777 1.529 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1CCCNC(=O)C1 ZINC000769115797 576331628 /nfs/dbraw/zinc/33/16/28/576331628.db2.gz PMFPTELFNMRDND-UHFFFAOYSA-N 1 2 258.321 1.021 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1CCCNC(=O)C1 ZINC000769115797 576331631 /nfs/dbraw/zinc/33/16/31/576331631.db2.gz PMFPTELFNMRDND-UHFFFAOYSA-N 1 2 258.321 1.021 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000761106983 576549427 /nfs/dbraw/zinc/54/94/27/576549427.db2.gz BDWWPMRTDTWOEO-UHFFFAOYSA-N 1 2 277.349 1.880 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000761106983 576549429 /nfs/dbraw/zinc/54/94/29/576549429.db2.gz BDWWPMRTDTWOEO-UHFFFAOYSA-N 1 2 277.349 1.880 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000741793893 576574247 /nfs/dbraw/zinc/57/42/47/576574247.db2.gz DHPFQYZIHOUNEU-HNNXBMFYSA-N 1 2 276.336 1.436 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000741793893 576574250 /nfs/dbraw/zinc/57/42/50/576574250.db2.gz DHPFQYZIHOUNEU-HNNXBMFYSA-N 1 2 276.336 1.436 20 30 CDEDLO OC1CCC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)CC1 ZINC000761828075 576595547 /nfs/dbraw/zinc/59/55/47/576595547.db2.gz JWEZGZMNEASFGA-RAMGSTBQSA-N 1 2 250.346 1.137 20 30 CDEDLO c1cn(-c2ccc(N=NC[C@@H]3CCOC3)nn2)c[nH+]1 ZINC000761837254 576596766 /nfs/dbraw/zinc/59/67/66/576596766.db2.gz VPOJAUKEBJPMOS-JTQLQIEISA-N 1 2 258.285 1.097 20 30 CDEDLO C#Cc1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)nc1 ZINC000762259662 576635255 /nfs/dbraw/zinc/63/52/55/576635255.db2.gz FDHNTZXLTHDXPA-UHFFFAOYSA-N 1 2 276.299 1.641 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745079786 576712569 /nfs/dbraw/zinc/71/25/69/576712569.db2.gz PAVLYFLQGHXISL-UONOGXRCSA-N 1 2 294.395 1.603 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@H+]1C ZINC000745079786 576712571 /nfs/dbraw/zinc/71/25/71/576712571.db2.gz PAVLYFLQGHXISL-UONOGXRCSA-N 1 2 294.395 1.603 20 30 CDEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(C(=O)C3CC3)CC2)cc1 ZINC000763235151 576724263 /nfs/dbraw/zinc/72/42/63/576724263.db2.gz UXDWCRWJIVCZBX-MRXNPFEDSA-N 1 2 299.374 1.146 20 30 CDEDLO C#CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000753910951 576865813 /nfs/dbraw/zinc/86/58/13/576865813.db2.gz ROVDYDCMOXLWBW-CQSZACIVSA-N 1 2 269.304 1.268 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]Nc1ccc(Cl)nc1 ZINC000747632661 576877759 /nfs/dbraw/zinc/87/77/59/576877759.db2.gz ORDTXOPCANWARW-UHFFFAOYSA-N 1 2 278.703 1.562 20 30 CDEDLO C#C[C@@H](CC)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000754379074 576893862 /nfs/dbraw/zinc/89/38/62/576893862.db2.gz GNHFAUQTCFTTQV-INIZCTEOSA-N 1 2 286.375 1.660 20 30 CDEDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)c1ccc(C#N)cc1 ZINC000748290952 576904068 /nfs/dbraw/zinc/90/40/68/576904068.db2.gz ORMXUVQUDOPVGW-CQSZACIVSA-N 1 2 286.331 1.768 20 30 CDEDLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)c1ccc(C#N)cc1 ZINC000748290952 576904070 /nfs/dbraw/zinc/90/40/70/576904070.db2.gz ORMXUVQUDOPVGW-CQSZACIVSA-N 1 2 286.331 1.768 20 30 CDEDLO Cn1c[nH+]cc1C=NNC(=S)Nc1ccccc1 ZINC000755497024 576946986 /nfs/dbraw/zinc/94/69/86/576946986.db2.gz GDAWXDFRMXCBJF-UHFFFAOYSA-N 1 2 259.338 1.741 20 30 CDEDLO C#CCOCCC(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000755627991 576952718 /nfs/dbraw/zinc/95/27/18/576952718.db2.gz NTJALLSPPWVKPB-UHFFFAOYSA-N 1 2 295.408 1.963 20 30 CDEDLO Cc1[nH]c[nH+]c1C=NNc1nc2ccccc2c(=O)[nH]1 ZINC000755765040 576959715 /nfs/dbraw/zinc/95/97/15/576959715.db2.gz BGDXJEZAYBUROV-UHFFFAOYSA-N 1 2 268.280 1.813 20 30 CDEDLO C#CCOCCC(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000755914008 576967576 /nfs/dbraw/zinc/96/75/76/576967576.db2.gz OZEFBSSQVAHOEB-UHFFFAOYSA-N 1 2 262.309 1.231 20 30 CDEDLO C#CCNC(=S)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000758210705 577082806 /nfs/dbraw/zinc/08/28/06/577082806.db2.gz UMUIXMFTXPYVGR-NSHDSACASA-N 1 2 264.398 1.395 20 30 CDEDLO CC[C@@H]1C[N@H+](Cn2ccc(C)c(C#N)c2=O)CCS1 ZINC000758232317 577086770 /nfs/dbraw/zinc/08/67/70/577086770.db2.gz QAMAAIYDWDUNOG-GFCCVEGCSA-N 1 2 277.393 1.813 20 30 CDEDLO CC[C@@H]1C[N@@H+](Cn2ccc(C)c(C#N)c2=O)CCS1 ZINC000758232317 577086772 /nfs/dbraw/zinc/08/67/72/577086772.db2.gz QAMAAIYDWDUNOG-GFCCVEGCSA-N 1 2 277.393 1.813 20 30 CDEDLO C=CC[N@H+](CC1CCCCC1)Cn1ncn(C)c1=O ZINC000758326018 577098279 /nfs/dbraw/zinc/09/82/79/577098279.db2.gz UTCJBWWZKHAENV-UHFFFAOYSA-N 1 2 264.373 1.608 20 30 CDEDLO C=CC[N@@H+](CC1CCCCC1)Cn1ncn(C)c1=O ZINC000758326018 577098280 /nfs/dbraw/zinc/09/82/80/577098280.db2.gz UTCJBWWZKHAENV-UHFFFAOYSA-N 1 2 264.373 1.608 20 30 CDEDLO C[N@H+](Cn1ccc(-c2ccc(C#N)cc2)n1)[C@H]1CCNC1=O ZINC000758400009 577105279 /nfs/dbraw/zinc/10/52/79/577105279.db2.gz MCMAOHGUZGLSGQ-HNNXBMFYSA-N 1 2 295.346 1.200 20 30 CDEDLO C[N@@H+](Cn1ccc(-c2ccc(C#N)cc2)n1)[C@H]1CCNC1=O ZINC000758400009 577105280 /nfs/dbraw/zinc/10/52/80/577105280.db2.gz MCMAOHGUZGLSGQ-HNNXBMFYSA-N 1 2 295.346 1.200 20 30 CDEDLO C=CC[NH+]1CCC([NH2+]C2CCC(C(=O)[O-])CC2)CC1 ZINC000819713554 598105308 /nfs/dbraw/zinc/10/53/08/598105308.db2.gz SIBZQTVAKZLGTA-UHFFFAOYSA-N 1 2 266.385 1.870 20 30 CDEDLO COc1ccc(C[N@H+](C)CCC#N)cc1-c1nn[nH]n1 ZINC000826192793 607512616 /nfs/dbraw/zinc/51/26/16/607512616.db2.gz BJWVJEUSAHNTOE-UHFFFAOYSA-N 1 2 272.312 1.221 20 30 CDEDLO COc1ccc(C[N@@H+](C)CCC#N)cc1-c1nn[nH]n1 ZINC000826192793 607512617 /nfs/dbraw/zinc/51/26/17/607512617.db2.gz BJWVJEUSAHNTOE-UHFFFAOYSA-N 1 2 272.312 1.221 20 30 CDEDLO COc1cccc(N[NH+]=Cc2cnc(N(C)C)n2C)c1 ZINC000811636333 617210208 /nfs/dbraw/zinc/21/02/08/617210208.db2.gz DAMRKJKUWNOBFV-UHFFFAOYSA-N 1 2 273.340 1.941 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@H+](Cc1ncccn1)C2 ZINC000981672689 617287700 /nfs/dbraw/zinc/28/77/00/617287700.db2.gz XZPRPVPCCJZFMD-ZDUSSCGKSA-N 1 2 299.378 1.061 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](Cc1ncccn1)C2 ZINC000981672689 617287701 /nfs/dbraw/zinc/28/77/01/617287701.db2.gz XZPRPVPCCJZFMD-ZDUSSCGKSA-N 1 2 299.378 1.061 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000952325093 612991647 /nfs/dbraw/zinc/99/16/47/612991647.db2.gz QLIFELAGZDYVJI-UHFFFAOYSA-N 1 2 286.379 1.457 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(F)cn2)C1 ZINC000949937999 612992123 /nfs/dbraw/zinc/99/21/23/612992123.db2.gz PMYZZBSIMFDZCD-UHFFFAOYSA-N 1 2 275.327 1.390 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cccnc2OC)C1 ZINC000951606672 612992357 /nfs/dbraw/zinc/99/23/57/612992357.db2.gz YJFDIYQBMWCSFO-UHFFFAOYSA-N 1 2 287.363 1.260 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ncc3ccccn32)C1 ZINC000950879534 612993366 /nfs/dbraw/zinc/99/33/66/612993366.db2.gz HNAGWXWZKSEATL-UHFFFAOYSA-N 1 2 296.374 1.504 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2ccoc2Cl)CC1 ZINC000981041977 613159151 /nfs/dbraw/zinc/15/91/51/613159151.db2.gz CVOMVTPYPMRPLS-UHFFFAOYSA-N 1 2 266.728 1.714 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2ccoc2Cl)CC1 ZINC000981041977 613159152 /nfs/dbraw/zinc/15/91/52/613159152.db2.gz CVOMVTPYPMRPLS-UHFFFAOYSA-N 1 2 266.728 1.714 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(F)CCCC3)C2)C1 ZINC000972441211 613211001 /nfs/dbraw/zinc/21/10/01/613211001.db2.gz OXMFYAHNMGYGJQ-HNNXBMFYSA-N 1 2 294.370 1.205 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(F)CCCC3)C2)C1 ZINC000972441211 613211002 /nfs/dbraw/zinc/21/10/02/613211002.db2.gz OXMFYAHNMGYGJQ-HNNXBMFYSA-N 1 2 294.370 1.205 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2n[nH]c3ccccc32)C[C@H]1C ZINC000947995361 613277455 /nfs/dbraw/zinc/27/74/55/613277455.db2.gz XTROOPPMRVRKJC-OLZOCXBDSA-N 1 2 296.374 1.779 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2n[nH]c3ccccc32)C[C@H]1C ZINC000947995361 613277458 /nfs/dbraw/zinc/27/74/58/613277458.db2.gz XTROOPPMRVRKJC-OLZOCXBDSA-N 1 2 296.374 1.779 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnn(C)c2)C1 ZINC000949641654 613297319 /nfs/dbraw/zinc/29/73/19/613297319.db2.gz HOYWVTLZCBTHQF-UHFFFAOYSA-N 1 2 262.357 1.143 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnccn2)C1 ZINC000949594599 613297510 /nfs/dbraw/zinc/29/75/10/613297510.db2.gz ONYCYEKLHUQJIH-UHFFFAOYSA-N 1 2 260.341 1.199 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2nc(C)c(C)nc2C)CC1 ZINC000949211030 613322166 /nfs/dbraw/zinc/32/21/66/613322166.db2.gz CWPKRUAYXIUMDF-UHFFFAOYSA-N 1 2 288.395 1.736 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccn2C)C1 ZINC000969319859 613372305 /nfs/dbraw/zinc/37/23/05/613372305.db2.gz NQMXUJRXHCYJQF-NSHDSACASA-N 1 2 281.787 1.828 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnn(CC)n2)C1 ZINC000969621366 613372586 /nfs/dbraw/zinc/37/25/86/613372586.db2.gz RGDXHYSDVBBTQJ-JTQLQIEISA-N 1 2 297.790 1.101 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2ccon2)C1 ZINC000965564620 613377553 /nfs/dbraw/zinc/37/75/53/613377553.db2.gz ZIBHINMZHFOJTI-GWCFXTLKSA-N 1 2 297.786 1.796 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2ccon2)C1 ZINC000965564620 613377554 /nfs/dbraw/zinc/37/75/54/613377554.db2.gz ZIBHINMZHFOJTI-GWCFXTLKSA-N 1 2 297.786 1.796 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC000966002733 613377918 /nfs/dbraw/zinc/37/79/18/613377918.db2.gz FAPRSLAGHANNPH-ONGXEEELSA-N 1 2 282.775 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC000966002733 613377919 /nfs/dbraw/zinc/37/79/19/613377919.db2.gz FAPRSLAGHANNPH-ONGXEEELSA-N 1 2 282.775 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC000968400636 613378102 /nfs/dbraw/zinc/37/81/02/613378102.db2.gz RUFLPCHPPZFNQK-JOYOIKCWSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC000968400636 613378103 /nfs/dbraw/zinc/37/81/03/613378103.db2.gz RUFLPCHPPZFNQK-JOYOIKCWSA-N 1 2 296.802 1.911 20 30 CDEDLO C=CCC[NH+]1CC(N(CC)C(=O)c2nccs2)C1 ZINC000957030218 613481641 /nfs/dbraw/zinc/48/16/41/613481641.db2.gz YRXIRSKCZYOXTC-UHFFFAOYSA-N 1 2 265.382 1.866 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC000950035536 613502982 /nfs/dbraw/zinc/50/29/82/613502982.db2.gz YYTPJJRZASHEFJ-MRXNPFEDSA-N 1 2 290.411 1.667 20 30 CDEDLO O=C(CCc1c[nH]c[nH+]1)NCC#C[C@H]1CCCCO1 ZINC000891121758 617367375 /nfs/dbraw/zinc/36/73/75/617367375.db2.gz NJGJSJGQDQPQHF-CYBMUJFWSA-N 1 2 261.325 1.031 20 30 CDEDLO O=C(CCc1c[nH+]c[nH]1)NCC#C[C@H]1CCCCO1 ZINC000891121758 617367376 /nfs/dbraw/zinc/36/73/76/617367376.db2.gz NJGJSJGQDQPQHF-CYBMUJFWSA-N 1 2 261.325 1.031 20 30 CDEDLO CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1[nH]ncc1F ZINC000969020055 613545961 /nfs/dbraw/zinc/54/59/61/613545961.db2.gz KKBORWRVOUIFNY-GFCCVEGCSA-N 1 2 292.358 1.547 20 30 CDEDLO CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1[nH]ncc1F ZINC000969020055 613545964 /nfs/dbraw/zinc/54/59/64/613545964.db2.gz KKBORWRVOUIFNY-GFCCVEGCSA-N 1 2 292.358 1.547 20 30 CDEDLO C[C@@H](CC(=O)NCC#C[C@@H]1CCCCO1)n1cc[nH+]c1 ZINC000891112579 617365081 /nfs/dbraw/zinc/36/50/81/617365081.db2.gz MCANEIOWTIGKOF-KBPBESRZSA-N 1 2 275.352 1.523 20 30 CDEDLO CC#CC[N@@H+]1C[C@H](NC(=O)c2ccns2)C(C)(C)C1 ZINC000974648967 613624150 /nfs/dbraw/zinc/62/41/50/613624150.db2.gz YAQMNMXXQMQAIE-LBPRGKRZSA-N 1 2 277.393 1.607 20 30 CDEDLO CC#CC[N@H+]1C[C@H](NC(=O)c2ccns2)C(C)(C)C1 ZINC000974648967 613624151 /nfs/dbraw/zinc/62/41/51/613624151.db2.gz YAQMNMXXQMQAIE-LBPRGKRZSA-N 1 2 277.393 1.607 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCO[C@H](CC)C2)C1 ZINC000957101236 613655255 /nfs/dbraw/zinc/65/52/55/613655255.db2.gz MVZYYLATAOMFCT-DZGCQCFKSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@@H](OC)C2)C1 ZINC000951572980 613655490 /nfs/dbraw/zinc/65/54/90/613655490.db2.gz CPHBVQMPYSBARI-DZGCQCFKSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CC[C@H]2CCCOC2)CC1 ZINC000956952948 613707791 /nfs/dbraw/zinc/70/77/91/613707791.db2.gz RKHSFNMHEBAXHI-CQSZACIVSA-N 1 2 266.385 1.523 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1 ZINC000949149923 613708149 /nfs/dbraw/zinc/70/81/49/613708149.db2.gz WDORQTVQFYBHGB-UHFFFAOYSA-N 1 2 298.390 1.826 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](OC)C2CCCCC2)CC1 ZINC000957986602 613712818 /nfs/dbraw/zinc/71/28/18/613712818.db2.gz PTKLLXANEOVVQN-OAHLLOKOSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C)nc2C)CC1 ZINC000957749938 613715609 /nfs/dbraw/zinc/71/56/09/613715609.db2.gz MNTYMOZDIAUTQM-UHFFFAOYSA-N 1 2 259.353 1.642 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnn(C)c2C(F)F)CC1 ZINC000957288816 613718629 /nfs/dbraw/zinc/71/86/29/613718629.db2.gz BLEIPQLPWGQANO-UHFFFAOYSA-N 1 2 284.310 1.302 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)C)C2)C1 ZINC000972265147 613725705 /nfs/dbraw/zinc/72/57/05/613725705.db2.gz OCCSHPFQWYLNOW-CQSZACIVSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)C)C2)C1 ZINC000972265147 613725706 /nfs/dbraw/zinc/72/57/06/613725706.db2.gz OCCSHPFQWYLNOW-CQSZACIVSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CCCCN(CC)C(=O)NCCn1cc[nH+]c1 ZINC000891558569 617477473 /nfs/dbraw/zinc/47/74/73/617477473.db2.gz QAFKDNCOZGJWMX-UHFFFAOYSA-N 1 2 250.346 1.881 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891935230 617798687 /nfs/dbraw/zinc/79/86/87/617798687.db2.gz YMMSCCXNEWATME-IJLUTSLNSA-N 1 2 256.321 1.854 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891935230 617798692 /nfs/dbraw/zinc/79/86/92/617798692.db2.gz YMMSCCXNEWATME-IJLUTSLNSA-N 1 2 256.321 1.854 20 30 CDEDLO CNc1cc(N2CCC(C#N)(c3ccccn3)CC2)nc[nH+]1 ZINC000893696411 617861010 /nfs/dbraw/zinc/86/10/10/617861010.db2.gz JHSMGESZWRHMBJ-UHFFFAOYSA-N 1 2 294.362 1.975 20 30 CDEDLO CNc1cc(N2CCC(C#N)(c3ccccn3)CC2)[nH+]cn1 ZINC000893696411 617861012 /nfs/dbraw/zinc/86/10/12/617861012.db2.gz JHSMGESZWRHMBJ-UHFFFAOYSA-N 1 2 294.362 1.975 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2csc(C#N)c2)[C@@H](C(N)=O)C1 ZINC000893715127 617951055 /nfs/dbraw/zinc/95/10/55/617951055.db2.gz CHLHYNSAWUHUTL-JOYOIKCWSA-N 1 2 263.366 1.706 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2csc(C#N)c2)[C@@H](C(N)=O)C1 ZINC000893715127 617951063 /nfs/dbraw/zinc/95/10/63/617951063.db2.gz CHLHYNSAWUHUTL-JOYOIKCWSA-N 1 2 263.366 1.706 20 30 CDEDLO C=C(CC)CNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000909388748 618058340 /nfs/dbraw/zinc/05/83/40/618058340.db2.gz XKCKZKPYHSZPLB-UHFFFAOYSA-N 1 2 291.395 1.516 20 30 CDEDLO Cc1cc[nH+]c(N)c1CN1CCN(C2CC2)[C@@H](C#N)C1 ZINC000894025038 618261115 /nfs/dbraw/zinc/26/11/15/618261115.db2.gz RPJXTKDVGRCIOL-ZDUSSCGKSA-N 1 2 271.368 1.144 20 30 CDEDLO COC(=O)[C@H](C)Oc1ccccc1C[NH2+]CCC#N ZINC000894083622 618343955 /nfs/dbraw/zinc/34/39/55/618343955.db2.gz OHIRQKMKPFKFHG-NSHDSACASA-N 1 2 262.309 1.630 20 30 CDEDLO Cc1nc(N2CCN(C(=O)C#CC(C)C)CC2)cc[nH+]1 ZINC000832171243 618639229 /nfs/dbraw/zinc/63/92/29/618639229.db2.gz QGUBCMPBVOKFPV-UHFFFAOYSA-N 1 2 272.352 1.093 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2cccc(O)c2Cl)CCCN1O ZINC000895158617 619374619 /nfs/dbraw/zinc/37/46/19/619374619.db2.gz KYAXLBHJEXKIER-SECBINFHSA-N 1 2 270.716 1.515 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCCN1O ZINC000895165376 619393320 /nfs/dbraw/zinc/39/33/20/619393320.db2.gz KBUARCCKVIPAOD-JTQLQIEISA-N 1 2 265.269 1.065 20 30 CDEDLO C[C@H](Nc1nc(C#N)c(Cl)s1)[C@H]1CN(C)CC[N@@H+]1C ZINC000895246716 619491820 /nfs/dbraw/zinc/49/18/20/619491820.db2.gz PWVCRJCRPFKGRH-WCBMZHEXSA-N 1 2 299.831 1.714 20 30 CDEDLO C[C@H](Nc1nc(C#N)c(Cl)s1)[C@H]1CN(C)CC[N@H+]1C ZINC000895246716 619491823 /nfs/dbraw/zinc/49/18/23/619491823.db2.gz PWVCRJCRPFKGRH-WCBMZHEXSA-N 1 2 299.831 1.714 20 30 CDEDLO CC[C@H](C[NH+]1CCOCC1)Nc1nccc(C)c1C#N ZINC000895802761 619852248 /nfs/dbraw/zinc/85/22/48/619852248.db2.gz XNCCTJGBQHODPD-CYBMUJFWSA-N 1 2 274.368 1.784 20 30 CDEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCCCC#N)[nH]n1 ZINC000897368328 620620354 /nfs/dbraw/zinc/62/03/54/620620354.db2.gz OUSXOAKBGVIDTC-GFCCVEGCSA-N 1 2 261.329 1.210 20 30 CDEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCCCC#N)[nH]n1 ZINC000897368328 620620357 /nfs/dbraw/zinc/62/03/57/620620357.db2.gz OUSXOAKBGVIDTC-GFCCVEGCSA-N 1 2 261.329 1.210 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897553679 620987650 /nfs/dbraw/zinc/98/76/50/620987650.db2.gz VVPMSOBZLFITFG-FZMZJTMJSA-N 1 2 274.368 1.708 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000897553679 620987652 /nfs/dbraw/zinc/98/76/52/620987652.db2.gz VVPMSOBZLFITFG-FZMZJTMJSA-N 1 2 274.368 1.708 20 30 CDEDLO C[C@H]1Cc2cc(NC[C@@H](O)C[N@H+](C)CCC#N)ccc2O1 ZINC000899896739 622513174 /nfs/dbraw/zinc/51/31/74/622513174.db2.gz PTXBQIPOFOJTRO-SWLSCSKDSA-N 1 2 289.379 1.628 20 30 CDEDLO C[C@H]1Cc2cc(NC[C@@H](O)C[N@@H+](C)CCC#N)ccc2O1 ZINC000899896739 622513178 /nfs/dbraw/zinc/51/31/78/622513178.db2.gz PTXBQIPOFOJTRO-SWLSCSKDSA-N 1 2 289.379 1.628 20 30 CDEDLO C=C1C[NH+](C[C@H](O)COc2ccc(CCOC)cc2)C1 ZINC000899899819 622513921 /nfs/dbraw/zinc/51/39/21/622513921.db2.gz BYZHDSSWYOPSBS-HNNXBMFYSA-N 1 2 277.364 1.487 20 30 CDEDLO C=C1C[NH+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000899900981 622517561 /nfs/dbraw/zinc/51/75/61/622517561.db2.gz ZUKFSWWEQXHZFR-LBPRGKRZSA-N 1 2 253.729 1.952 20 30 CDEDLO C=C(Cl)CNC(=O)C[N@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000900760309 623420533 /nfs/dbraw/zinc/42/05/33/623420533.db2.gz UWNFTPYNRQRJRY-NSHDSACASA-N 1 2 288.775 1.130 20 30 CDEDLO C=C(Cl)CNC(=O)C[N@@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000900760309 623420542 /nfs/dbraw/zinc/42/05/42/623420542.db2.gz UWNFTPYNRQRJRY-NSHDSACASA-N 1 2 288.775 1.130 20 30 CDEDLO COCCn1nc(C)c(C(=O)/C=C/c2c[nH+]cn2C)c1C ZINC000901488347 624288717 /nfs/dbraw/zinc/28/87/17/624288717.db2.gz INHJVKXFOOVJLB-AATRIKPKSA-N 1 2 288.351 1.776 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000906535395 627314051 /nfs/dbraw/zinc/31/40/51/627314051.db2.gz BEMZKTIOZCSCHA-GJZGRUSLSA-N 1 2 288.347 1.652 20 30 CDEDLO COC(=O)c1ccc(C[NH+]2CCC(C#N)CC2)n1C ZINC000876654096 630550306 /nfs/dbraw/zinc/55/03/06/630550306.db2.gz ZCAORQOKRYDMLU-UHFFFAOYSA-N 1 2 261.325 1.547 20 30 CDEDLO CC(C)(C#N)CS(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000914060422 630998055 /nfs/dbraw/zinc/99/80/55/630998055.db2.gz MUDKYHMAGSIVGV-LBPRGKRZSA-N 1 2 296.396 1.400 20 30 CDEDLO C=C(C)CNC(=S)NCCc1cn2c([nH+]1)CCCC2 ZINC000916010826 631893268 /nfs/dbraw/zinc/89/32/68/631893268.db2.gz YTOVXBVNUXQZIZ-UHFFFAOYSA-N 1 2 278.425 1.802 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)co2)[C@H](O)C1 ZINC001090489080 1162683221 /nfs/dbraw/zinc/68/32/21/1162683221.db2.gz HZNBXSUQCRSMRP-VXGBXAGGSA-N 1 2 298.770 1.506 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)co2)[C@H](O)C1 ZINC001090489080 1162683223 /nfs/dbraw/zinc/68/32/23/1162683223.db2.gz HZNBXSUQCRSMRP-VXGBXAGGSA-N 1 2 298.770 1.506 20 30 CDEDLO C[C@H](c1cccnc1)[NH+]1CCN(C[C@H](O)CC#N)CC1 ZINC000809574338 1163040722 /nfs/dbraw/zinc/04/07/22/1163040722.db2.gz JMFJYMVBRBNQPB-UKRRQHHQSA-N 1 2 274.368 1.035 20 30 CDEDLO C#CCN1C[C@@]2(F)C[N@@H+](CCCCCC)C[C@@]2(F)C1=O ZINC001272476631 1161103775 /nfs/dbraw/zinc/10/37/75/1161103775.db2.gz MPLDHMLHEVWCTO-LSDHHAIUSA-N 1 2 284.350 1.774 20 30 CDEDLO C#CCN1C[C@@]2(F)C[N@H+](CCCCCC)C[C@@]2(F)C1=O ZINC001272476631 1161103781 /nfs/dbraw/zinc/10/37/81/1161103781.db2.gz MPLDHMLHEVWCTO-LSDHHAIUSA-N 1 2 284.350 1.774 20 30 CDEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)SC)[C@H]2C1 ZINC001083052645 1161584012 /nfs/dbraw/zinc/58/40/12/1161584012.db2.gz WMHADHUTDVMUBQ-YNEHKIRRSA-N 1 2 284.425 1.226 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)SC)[C@H]2C1 ZINC001083052645 1161584017 /nfs/dbraw/zinc/58/40/17/1161584017.db2.gz WMHADHUTDVMUBQ-YNEHKIRRSA-N 1 2 284.425 1.226 20 30 CDEDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)Nc1ncccc1C#N ZINC001113154995 1162115795 /nfs/dbraw/zinc/11/57/95/1162115795.db2.gz LGIGOCBZYFGQQY-GHMZBOCLSA-N 1 2 298.350 1.224 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](OCC)[C@H]2CCOC2)CC1 ZINC001113161710 1162118891 /nfs/dbraw/zinc/11/88/91/1162118891.db2.gz ICWRXQPAWJHOEC-GJZGRUSLSA-N 1 2 296.411 1.148 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)C2(CF)CC2)CC1 ZINC001113333060 1162156316 /nfs/dbraw/zinc/15/63/16/1162156316.db2.gz KKBREEFFAWONOI-UHFFFAOYSA-N 1 2 270.348 1.083 20 30 CDEDLO Cc1nc(N(C)[C@H](C)CNC(=O)C#CC2CC2)cc[nH+]1 ZINC001113585641 1162229647 /nfs/dbraw/zinc/22/96/47/1162229647.db2.gz IQPKMUSUCLZSAB-LLVKDONJSA-N 1 2 272.352 1.139 20 30 CDEDLO C#Cc1cncc(C(=O)NCC[NH2+][C@H](C)c2ncc(C)o2)c1 ZINC001133592823 1163806417 /nfs/dbraw/zinc/80/64/17/1163806417.db2.gz CVRDZVMSKMSFFH-GFCCVEGCSA-N 1 2 298.346 1.440 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@H]3F)CC2)cc1 ZINC001646931883 1168264616 /nfs/dbraw/zinc/26/46/16/1168264616.db2.gz SSNKWIRSSKUFAT-LSDHHAIUSA-N 1 2 287.338 1.560 20 30 CDEDLO C[N@H+](Cc1cc(-c2nn[nH]n2)ccn1)[C@@H]1CCC[C@@H]1C#N ZINC001591125812 1173575970 /nfs/dbraw/zinc/57/59/70/1173575970.db2.gz WECUTESMAXVZRM-DGCLKSJQSA-N 1 2 283.339 1.386 20 30 CDEDLO C[N@@H+](Cc1cc(-c2nn[nH]n2)ccn1)[C@@H]1CCC[C@@H]1C#N ZINC001591125812 1173575976 /nfs/dbraw/zinc/57/59/76/1173575976.db2.gz WECUTESMAXVZRM-DGCLKSJQSA-N 1 2 283.339 1.386 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001592675164 1173967047 /nfs/dbraw/zinc/96/70/47/1173967047.db2.gz SJOOZWDXADSXJM-NSHDSACASA-N 1 2 299.313 1.539 20 30 CDEDLO N#CCOc1cccc(CNC(=O)NCCn2cc[nH+]c2)c1 ZINC000113575035 1174865763 /nfs/dbraw/zinc/86/57/63/1174865763.db2.gz HZZBWUKVKZVZDO-UHFFFAOYSA-N 1 2 299.334 1.285 20 30 CDEDLO CC(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001698981958 1176006542 /nfs/dbraw/zinc/00/65/42/1176006542.db2.gz XUBLNXHZHAKQHM-UHFFFAOYSA-N 1 2 263.316 1.607 20 30 CDEDLO CC(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001698981958 1176006539 /nfs/dbraw/zinc/00/65/39/1176006539.db2.gz XUBLNXHZHAKQHM-UHFFFAOYSA-N 1 2 263.316 1.607 20 30 CDEDLO C=CCCCC(=O)NCC[N@@H+](C)CC(=O)NC(C)(C)C ZINC001753060921 1185029817 /nfs/dbraw/zinc/02/98/17/1185029817.db2.gz HHYXHIRUZGKVHR-UHFFFAOYSA-N 1 2 283.416 1.305 20 30 CDEDLO C=CCCCC(=O)NCC[N@H+](C)CC(=O)NC(C)(C)C ZINC001753060921 1185029821 /nfs/dbraw/zinc/02/98/21/1185029821.db2.gz HHYXHIRUZGKVHR-UHFFFAOYSA-N 1 2 283.416 1.305 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCC[N@@H+](CC)Cc1nocc1C ZINC001753080814 1185047034 /nfs/dbraw/zinc/04/70/34/1185047034.db2.gz JBNSKNOEUXCBRF-HNNXBMFYSA-N 1 2 295.383 1.248 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCC[N@H+](CC)Cc1nocc1C ZINC001753080814 1185047038 /nfs/dbraw/zinc/04/70/38/1185047038.db2.gz JBNSKNOEUXCBRF-HNNXBMFYSA-N 1 2 295.383 1.248 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@@H+](CCC)Cc1nccn1C ZINC001753146779 1185085529 /nfs/dbraw/zinc/08/55/29/1185085529.db2.gz HOYKIPDZYZEWCG-UHFFFAOYSA-N 1 2 292.427 1.961 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@H+](CCC)Cc1nccn1C ZINC001753146779 1185085534 /nfs/dbraw/zinc/08/55/34/1185085534.db2.gz HOYKIPDZYZEWCG-UHFFFAOYSA-N 1 2 292.427 1.961 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCCOC(C)C)C1 ZINC001753657550 1185289900 /nfs/dbraw/zinc/28/99/00/1185289900.db2.gz DKYZZMLYLSTCIQ-HNNXBMFYSA-N 1 2 298.427 1.585 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)CCCOC(C)C)C1 ZINC001753657550 1185289905 /nfs/dbraw/zinc/28/99/05/1185289905.db2.gz DKYZZMLYLSTCIQ-HNNXBMFYSA-N 1 2 298.427 1.585 20 30 CDEDLO C=C(C)CCC(=O)N(C)[C@@H](C)C[NH2+]Cc1nc(C)no1 ZINC001753692685 1185303818 /nfs/dbraw/zinc/30/38/18/1185303818.db2.gz GRCWRJWQLWGSLU-NSHDSACASA-N 1 2 280.372 1.671 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)COCCC)C1 ZINC001754666786 1185696809 /nfs/dbraw/zinc/69/68/09/1185696809.db2.gz GCTKQAORXBZDNN-CYBMUJFWSA-N 1 2 274.792 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)COCCC)C1 ZINC001754666786 1185696812 /nfs/dbraw/zinc/69/68/12/1185696812.db2.gz GCTKQAORXBZDNN-CYBMUJFWSA-N 1 2 274.792 1.746 20 30 CDEDLO C=C(C)CCC(=O)N(C)CCC[N@H+](C)Cc1cnon1 ZINC001755038191 1185795055 /nfs/dbraw/zinc/79/50/55/1185795055.db2.gz PXJVBXRLCXKFCF-UHFFFAOYSA-N 1 2 280.372 1.706 20 30 CDEDLO C=C(C)CCC(=O)N(C)CCC[N@@H+](C)Cc1cnon1 ZINC001755038191 1185795061 /nfs/dbraw/zinc/79/50/61/1185795061.db2.gz PXJVBXRLCXKFCF-UHFFFAOYSA-N 1 2 280.372 1.706 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C#CC(C)C)CO2 ZINC001755061443 1185802869 /nfs/dbraw/zinc/80/28/69/1185802869.db2.gz KKYDSHRWCVOGKD-CQSZACIVSA-N 1 2 276.380 1.181 20 30 CDEDLO N#CCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001606346164 1163871883 /nfs/dbraw/zinc/87/18/83/1163871883.db2.gz MULBNDIBEKSJOJ-UHFFFAOYSA-N 1 2 272.287 1.351 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C(C)C)on2)C1 ZINC001043487990 782265617 /nfs/dbraw/zinc/26/56/17/782265617.db2.gz VHXXTZZXHQBESY-UHFFFAOYSA-N 1 2 275.352 1.578 20 30 CDEDLO COc1c(C)c[nH+]c(CNC(=O)NCC2(C#N)CC2)c1C ZINC000797441841 782302543 /nfs/dbraw/zinc/30/25/43/782302543.db2.gz VPGPYADICMZTQI-UHFFFAOYSA-N 1 2 288.351 1.810 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001035623495 782311130 /nfs/dbraw/zinc/31/11/30/782311130.db2.gz BHDWJSALJQHIFM-AYCBFJCHSA-N 1 2 290.407 1.282 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001035623495 782311140 /nfs/dbraw/zinc/31/11/40/782311140.db2.gz BHDWJSALJQHIFM-AYCBFJCHSA-N 1 2 290.407 1.282 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000775343021 782329057 /nfs/dbraw/zinc/32/90/57/782329057.db2.gz USYCSZQWOPJQPM-GHMZBOCLSA-N 1 2 266.322 1.927 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCCC[C@H]2OC)C1 ZINC001031465671 782370565 /nfs/dbraw/zinc/37/05/65/782370565.db2.gz LITNFFMSZZKDNM-UONOGXRCSA-N 1 2 264.369 1.015 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2cccn3nccc23)C1 ZINC001043221658 782383819 /nfs/dbraw/zinc/38/38/19/782383819.db2.gz RCSLPXKSQVTUFD-UHFFFAOYSA-N 1 2 270.336 1.277 20 30 CDEDLO C#C[C@H]([NH2+]Cc1cc(=O)n2ccsc2n1)[C@@H]1CCCO1 ZINC000775794914 782489768 /nfs/dbraw/zinc/48/97/68/782489768.db2.gz UAOFUYSEMUGFRR-RYUDHWBXSA-N 1 2 289.360 1.026 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1coc(C(F)F)c1 ZINC001038642970 782513242 /nfs/dbraw/zinc/51/32/42/782513242.db2.gz GMOYNLARUFBLCJ-JTQLQIEISA-N 1 2 268.263 1.655 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(C(F)F)c1 ZINC001038642970 782513254 /nfs/dbraw/zinc/51/32/54/782513254.db2.gz GMOYNLARUFBLCJ-JTQLQIEISA-N 1 2 268.263 1.655 20 30 CDEDLO Cn1c[nH+]cc1CCOC(=O)c1ccc(C#N)cc1 ZINC000793242660 782732018 /nfs/dbraw/zinc/73/20/18/782732018.db2.gz PTRBVOXAKLHZMY-UHFFFAOYSA-N 1 2 255.277 1.691 20 30 CDEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1CC)C(C)C ZINC000875594003 782765730 /nfs/dbraw/zinc/76/57/30/782765730.db2.gz LITKPISWYBDNIJ-UONOGXRCSA-N 1 2 281.400 1.054 20 30 CDEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1CC)C(C)C ZINC000875594003 782765756 /nfs/dbraw/zinc/76/57/56/782765756.db2.gz LITKPISWYBDNIJ-UONOGXRCSA-N 1 2 281.400 1.054 20 30 CDEDLO C=CCOC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000132550237 782796193 /nfs/dbraw/zinc/79/61/93/782796193.db2.gz NRQSTOIMDUTIJI-UPJWGTAASA-N 1 2 255.358 1.849 20 30 CDEDLO C=CCC[NH+]1CC(N(C)C(=O)c2ccc(C(N)=O)s2)C1 ZINC001044044944 782860964 /nfs/dbraw/zinc/86/09/64/782860964.db2.gz GDKINXLNQFGEPG-UHFFFAOYSA-N 1 2 293.392 1.179 20 30 CDEDLO C=C(C)C[C@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000882890884 782881638 /nfs/dbraw/zinc/88/16/38/782881638.db2.gz JCIGAFZANUWIBF-CQSZACIVSA-N 1 2 285.347 1.929 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)nc1 ZINC001032508481 782900097 /nfs/dbraw/zinc/90/00/97/782900097.db2.gz DPIQRFFCDHBRKE-KBPBESRZSA-N 1 2 285.347 1.012 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)nc1 ZINC001032508481 782900103 /nfs/dbraw/zinc/90/01/03/782900103.db2.gz DPIQRFFCDHBRKE-KBPBESRZSA-N 1 2 285.347 1.012 20 30 CDEDLO COCC#CC[N@@H+]1CCOc2ccc(OC)cc2C1 ZINC000831773484 782945385 /nfs/dbraw/zinc/94/53/85/782945385.db2.gz OGSOBMVUJABASP-UHFFFAOYSA-N 1 2 261.321 1.539 20 30 CDEDLO COCC#CC[N@H+]1CCOc2ccc(OC)cc2C1 ZINC000831773484 782945395 /nfs/dbraw/zinc/94/53/95/782945395.db2.gz OGSOBMVUJABASP-UHFFFAOYSA-N 1 2 261.321 1.539 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cncs2)[C@@H]1C ZINC000993101449 782951411 /nfs/dbraw/zinc/95/14/11/782951411.db2.gz BDWBJPLPCAPFNV-WDEREUQCSA-N 1 2 263.366 1.359 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cncs2)[C@@H]1C ZINC000993101449 782951425 /nfs/dbraw/zinc/95/14/25/782951425.db2.gz BDWBJPLPCAPFNV-WDEREUQCSA-N 1 2 263.366 1.359 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cscn2)C1 ZINC001015800223 782974329 /nfs/dbraw/zinc/97/43/29/782974329.db2.gz NAXVOHIWQKNUHQ-SNVBAGLBSA-N 1 2 285.800 1.629 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cscn2)C1 ZINC001015800223 782974350 /nfs/dbraw/zinc/97/43/50/782974350.db2.gz NAXVOHIWQKNUHQ-SNVBAGLBSA-N 1 2 285.800 1.629 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1nsc2ccccc21 ZINC001038285292 782976778 /nfs/dbraw/zinc/97/67/78/782976778.db2.gz YYBRJBATYJKWSU-NSHDSACASA-N 1 2 285.372 1.734 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1nsc2ccccc21 ZINC001038285292 782976786 /nfs/dbraw/zinc/97/67/86/782976786.db2.gz YYBRJBATYJKWSU-NSHDSACASA-N 1 2 285.372 1.734 20 30 CDEDLO COC1(OC)CCOC[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000931667792 782977977 /nfs/dbraw/zinc/97/79/77/782977977.db2.gz NTCAXNGQMJDXOX-AWEZNQCLSA-N 1 2 276.336 1.426 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccccc2NC(C)=O)C1 ZINC001031119708 782978245 /nfs/dbraw/zinc/97/82/45/782978245.db2.gz DXUZIPHCDLVKAG-UHFFFAOYSA-N 1 2 299.374 1.011 20 30 CDEDLO C=CC[N@H+]1CC[C@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001041303013 782983647 /nfs/dbraw/zinc/98/36/47/782983647.db2.gz BIRAHCUEZPUIMM-PWSUYJOCSA-N 1 2 294.292 1.997 20 30 CDEDLO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001041303013 782983652 /nfs/dbraw/zinc/98/36/52/782983652.db2.gz BIRAHCUEZPUIMM-PWSUYJOCSA-N 1 2 294.292 1.997 20 30 CDEDLO C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001041303013 782983654 /nfs/dbraw/zinc/98/36/54/782983654.db2.gz BIRAHCUEZPUIMM-PWSUYJOCSA-N 1 2 294.292 1.997 20 30 CDEDLO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001041303013 782983660 /nfs/dbraw/zinc/98/36/60/782983660.db2.gz BIRAHCUEZPUIMM-PWSUYJOCSA-N 1 2 294.292 1.997 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@]23CCO[C@@H]2CCCC3)C1 ZINC001030661863 783000788 /nfs/dbraw/zinc/00/07/88/783000788.db2.gz MLIYOWSJNNTJNM-ZBFHGGJFSA-N 1 2 278.396 1.712 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886344951 783012790 /nfs/dbraw/zinc/01/27/90/783012790.db2.gz OOCKBUQMNINUJL-HZSPNIEDSA-N 1 2 256.305 1.724 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886344951 783012798 /nfs/dbraw/zinc/01/27/98/783012798.db2.gz OOCKBUQMNINUJL-HZSPNIEDSA-N 1 2 256.305 1.724 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn(CC)nn2)C1 ZINC001033548187 783014843 /nfs/dbraw/zinc/01/48/43/783014843.db2.gz HAUYBCGFJBYLAF-LLVKDONJSA-N 1 2 297.790 1.197 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(CC)nn2)C1 ZINC001033548187 783014847 /nfs/dbraw/zinc/01/48/47/783014847.db2.gz HAUYBCGFJBYLAF-LLVKDONJSA-N 1 2 297.790 1.197 20 30 CDEDLO C=CCN1CC[C@@H](OC(=O)C[C@H](C)n2cc[nH+]c2)C1=O ZINC000845283717 783022824 /nfs/dbraw/zinc/02/28/24/783022824.db2.gz GOQBAEBVDIRNKX-NWDGAFQWSA-N 1 2 277.324 1.164 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[C@@H]2OC)C1 ZINC001044356581 783023044 /nfs/dbraw/zinc/02/30/44/783023044.db2.gz XRFJLLDTWCUQBQ-CABCVRRESA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)/C(C)=C/C)C[C@H]21 ZINC001074205627 783029045 /nfs/dbraw/zinc/02/90/45/783029045.db2.gz VAPRWWVJFYRJGD-HMBIXPHWSA-N 1 2 278.396 1.830 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)/C(C)=C/C)C[C@H]21 ZINC001074205627 783029049 /nfs/dbraw/zinc/02/90/49/783029049.db2.gz VAPRWWVJFYRJGD-HMBIXPHWSA-N 1 2 278.396 1.830 20 30 CDEDLO CO[C@@H]1CC[N@H+](Cn2ccc(C)c(C#N)c2=O)C[C@H]1C ZINC000840122341 783048894 /nfs/dbraw/zinc/04/88/94/783048894.db2.gz HNUWTUHWNKSDNO-TZMCWYRMSA-N 1 2 275.352 1.343 20 30 CDEDLO CO[C@@H]1CC[N@@H+](Cn2ccc(C)c(C#N)c2=O)C[C@H]1C ZINC000840122341 783048897 /nfs/dbraw/zinc/04/88/97/783048897.db2.gz HNUWTUHWNKSDNO-TZMCWYRMSA-N 1 2 275.352 1.343 20 30 CDEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+](Cc2ccccc2)C1 ZINC001042589941 783051620 /nfs/dbraw/zinc/05/16/20/783051620.db2.gz PTQDLGIIMKQMES-UHFFFAOYSA-N 1 2 294.358 1.843 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2cc[nH]c2n1 ZINC001038379085 783059065 /nfs/dbraw/zinc/05/90/65/783059065.db2.gz UHNZQJDTZOJRAD-LBPRGKRZSA-N 1 2 268.320 1.000 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2cc[nH]c2n1 ZINC001038379085 783059076 /nfs/dbraw/zinc/05/90/76/783059076.db2.gz UHNZQJDTZOJRAD-LBPRGKRZSA-N 1 2 268.320 1.000 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccnnc2)CC[C@@H]1C ZINC001071848875 783072834 /nfs/dbraw/zinc/07/28/34/783072834.db2.gz ZINBRALEVIRXKS-AAEUAGOBSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccnnc2)CC[C@@H]1C ZINC001071848875 783072836 /nfs/dbraw/zinc/07/28/36/783072836.db2.gz ZINBRALEVIRXKS-AAEUAGOBSA-N 1 2 294.786 1.812 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3C[C@H](C)[C@H](NCC#N)C3)ccn12 ZINC001054662765 783096363 /nfs/dbraw/zinc/09/63/63/783096363.db2.gz TYQFMGOHMUHMIS-SMDDNHRTSA-N 1 2 297.362 1.216 20 30 CDEDLO Cc1nc(NC[C@@H]2CCCCN2C(=O)C#CC2CC2)cc[nH+]1 ZINC001060247591 783138544 /nfs/dbraw/zinc/13/85/44/783138544.db2.gz IXPCXCWNBUMHQW-HNNXBMFYSA-N 1 2 298.390 1.991 20 30 CDEDLO N#CCSCCC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931134709 783141524 /nfs/dbraw/zinc/14/15/24/783141524.db2.gz PKMSSSWEIFWDKG-JTQLQIEISA-N 1 2 251.359 1.588 20 30 CDEDLO N#CCSCCC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931134709 783141532 /nfs/dbraw/zinc/14/15/32/783141532.db2.gz PKMSSSWEIFWDKG-JTQLQIEISA-N 1 2 251.359 1.588 20 30 CDEDLO CCCn1ncnc1CO[NH+]=C(N)c1ccc(OC)cc1 ZINC000853654834 783173684 /nfs/dbraw/zinc/17/36/84/783173684.db2.gz MLVQYCRHEKKTDV-UHFFFAOYSA-N 1 2 289.339 1.534 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2coc(C(C)(C)C)n2)C1 ZINC001030302971 780309584 /nfs/dbraw/zinc/30/95/84/780309584.db2.gz MPFTYHXMUDXNTL-UHFFFAOYSA-N 1 2 277.368 1.962 20 30 CDEDLO C[C@H]1C[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004525633 780316976 /nfs/dbraw/zinc/31/69/76/780316976.db2.gz HHTCJJYZZQCXDM-AEGPPILISA-N 1 2 275.396 1.869 20 30 CDEDLO C[C@H]1C[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004525633 780316985 /nfs/dbraw/zinc/31/69/85/780316985.db2.gz HHTCJJYZZQCXDM-AEGPPILISA-N 1 2 275.396 1.869 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928644046 780317935 /nfs/dbraw/zinc/31/79/35/780317935.db2.gz WOVKLZVLBBIIIN-OAHLLOKOSA-N 1 2 280.412 1.982 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCO2)C1 ZINC001010624020 780364801 /nfs/dbraw/zinc/36/48/01/780364801.db2.gz DSBYQPIHWRSTBN-NWDGAFQWSA-N 1 2 272.776 1.499 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCO2)C1 ZINC001010624020 780364813 /nfs/dbraw/zinc/36/48/13/780364813.db2.gz DSBYQPIHWRSTBN-NWDGAFQWSA-N 1 2 272.776 1.499 20 30 CDEDLO C#CCOc1cccc(Cl)c1C[N@H+](C)CCO ZINC000779148351 780393909 /nfs/dbraw/zinc/39/39/09/780393909.db2.gz POXAPXUQAFTFNW-UHFFFAOYSA-N 1 2 253.729 1.776 20 30 CDEDLO C#CCOc1cccc(Cl)c1C[N@@H+](C)CCO ZINC000779148351 780393920 /nfs/dbraw/zinc/39/39/20/780393920.db2.gz POXAPXUQAFTFNW-UHFFFAOYSA-N 1 2 253.729 1.776 20 30 CDEDLO C=C(C)C[NH2+][C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001018878819 780402380 /nfs/dbraw/zinc/40/23/80/780402380.db2.gz UXTGHMSQTHFLQI-IUCAKERBSA-N 1 2 268.254 1.653 20 30 CDEDLO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001018878819 780402396 /nfs/dbraw/zinc/40/23/96/780402396.db2.gz UXTGHMSQTHFLQI-IUCAKERBSA-N 1 2 268.254 1.653 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCCOC1 ZINC001018123516 780431319 /nfs/dbraw/zinc/43/13/19/780431319.db2.gz YORIUJWOCNCBNE-OAGGEKHMSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCCOC1 ZINC001018123516 780431347 /nfs/dbraw/zinc/43/13/47/780431347.db2.gz YORIUJWOCNCBNE-OAGGEKHMSA-N 1 2 290.407 1.502 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CCC(C)(C)C ZINC000884375230 780537425 /nfs/dbraw/zinc/53/74/25/780537425.db2.gz QODBWNXMOCXXSF-NSHDSACASA-N 1 2 270.373 1.328 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(-c3c[nH]cn3)cc2)C1 ZINC001031194727 780560801 /nfs/dbraw/zinc/56/08/01/780560801.db2.gz XMJQVIXRCXCCRZ-UHFFFAOYSA-N 1 2 294.358 1.514 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2ncccc21 ZINC001032550955 780626923 /nfs/dbraw/zinc/62/69/23/780626923.db2.gz JLKNMQUSRVAAEH-KBPBESRZSA-N 1 2 291.354 1.767 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2ncccc21 ZINC001032550955 780626947 /nfs/dbraw/zinc/62/69/47/780626947.db2.gz JLKNMQUSRVAAEH-KBPBESRZSA-N 1 2 291.354 1.767 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccccc1F ZINC001050795517 780629958 /nfs/dbraw/zinc/62/99/58/780629958.db2.gz VAJMSHMXVLSWGN-CYBMUJFWSA-N 1 2 292.354 1.832 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccccc1F ZINC001050795517 780629979 /nfs/dbraw/zinc/62/99/79/780629979.db2.gz VAJMSHMXVLSWGN-CYBMUJFWSA-N 1 2 292.354 1.832 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc(CC)s2)CC[C@H]1C ZINC001072109863 780634998 /nfs/dbraw/zinc/63/49/98/780634998.db2.gz OBEMKFDKFMZTKL-NEPJUHHUSA-N 1 2 291.420 1.921 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc(CC)s2)CC[C@H]1C ZINC001072109863 780635024 /nfs/dbraw/zinc/63/50/24/780635024.db2.gz OBEMKFDKFMZTKL-NEPJUHHUSA-N 1 2 291.420 1.921 20 30 CDEDLO CC[C@H]([NH2+]C[C@H]1CCCNC1=O)c1cccc(C#N)c1O ZINC000926574330 780651502 /nfs/dbraw/zinc/65/15/02/780651502.db2.gz CAUMRVHCDJDBGF-OCCSQVGLSA-N 1 2 287.363 1.831 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1Cc2ccc(C(C)=O)cc2C1 ZINC000839818482 780696651 /nfs/dbraw/zinc/69/66/51/780696651.db2.gz RCDQRYFWSLNCPA-KRWDZBQOSA-N 1 2 296.370 1.829 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1Cc2ccc(C(C)=O)cc2C1 ZINC000839818482 780696668 /nfs/dbraw/zinc/69/66/68/780696668.db2.gz RCDQRYFWSLNCPA-KRWDZBQOSA-N 1 2 296.370 1.829 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2cc(OC)ccc21 ZINC001038335206 780700573 /nfs/dbraw/zinc/70/05/73/780700573.db2.gz UQSLXVWPITVEEZ-YOEHRIQHSA-N 1 2 298.386 1.549 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2cc(OC)ccc21 ZINC001038335206 780700590 /nfs/dbraw/zinc/70/05/90/780700590.db2.gz UQSLXVWPITVEEZ-YOEHRIQHSA-N 1 2 298.386 1.549 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(N(C)C)c(C)c2)nn1 ZINC000881377965 780720600 /nfs/dbraw/zinc/72/06/00/780720600.db2.gz ZXTUEBUXTFQXAL-UHFFFAOYSA-N 1 2 297.406 1.814 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC13CC3)CCO2 ZINC001053446581 780751167 /nfs/dbraw/zinc/75/11/67/780751167.db2.gz ZPBBJYVPADBCJN-CYBMUJFWSA-N 1 2 276.380 1.276 20 30 CDEDLO C=C(Br)CNC(=O)NCCCn1cc[nH+]c1 ZINC000049301519 780834177 /nfs/dbraw/zinc/83/41/77/780834177.db2.gz CLOHZYGVXGCZCB-UHFFFAOYSA-N 1 2 287.161 1.481 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H](C)c1cccs1 ZINC000884084798 780842615 /nfs/dbraw/zinc/84/26/15/780842615.db2.gz AZEKNAIUHCUQQS-QWRGUYRKSA-N 1 2 296.392 1.714 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]2OCC)C1 ZINC001031565350 780862457 /nfs/dbraw/zinc/86/24/57/780862457.db2.gz LLMKQCYRIUMAGI-RYUDHWBXSA-N 1 2 272.776 1.212 20 30 CDEDLO C#CCOc1ccccc1C[NH2+]Cc1ncnn1CC ZINC000793344732 780917713 /nfs/dbraw/zinc/91/77/13/780917713.db2.gz VVPCFIWMFYTKKC-UHFFFAOYSA-N 1 2 270.336 1.600 20 30 CDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+]([C@H](C)COC)C1 ZINC001031077272 780925848 /nfs/dbraw/zinc/92/58/48/780925848.db2.gz LKFOUWHSKVGJFV-SNPRPXQTSA-N 1 2 296.411 1.193 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2CCC[C@H](OC)C2)C1 ZINC001030417783 780947411 /nfs/dbraw/zinc/94/74/11/780947411.db2.gz XJRAFJFNILHOPL-HIFRSBDPSA-N 1 2 280.412 1.958 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2ccncc2c1 ZINC001032718093 780983423 /nfs/dbraw/zinc/98/34/23/780983423.db2.gz IOTUXIAQSRAHEX-IRXDYDNUSA-N 1 2 291.354 1.767 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2ccncc2c1 ZINC001032718093 780983434 /nfs/dbraw/zinc/98/34/34/780983434.db2.gz IOTUXIAQSRAHEX-IRXDYDNUSA-N 1 2 291.354 1.767 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1C(C)C)CCO2 ZINC001053490145 781170513 /nfs/dbraw/zinc/17/05/13/781170513.db2.gz KUGRFOUEZOIMFE-LSDHHAIUSA-N 1 2 292.423 1.768 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2Cc3ccccc32)C1 ZINC001043704477 781262365 /nfs/dbraw/zinc/26/23/65/781262365.db2.gz LKHBWVWICPATSS-HNNXBMFYSA-N 1 2 256.349 1.655 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1OCc2ccccc21 ZINC001032758235 781283069 /nfs/dbraw/zinc/28/30/69/781283069.db2.gz IWJURHQTOGUMAY-YQQAZPJKSA-N 1 2 296.370 1.566 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1OCc2ccccc21 ZINC001032758235 781283078 /nfs/dbraw/zinc/28/30/78/781283078.db2.gz IWJURHQTOGUMAY-YQQAZPJKSA-N 1 2 296.370 1.566 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1nc(C)c(C)s1 ZINC001039026168 781293188 /nfs/dbraw/zinc/29/31/88/781293188.db2.gz QUNMFEVNFQTJGF-LLVKDONJSA-N 1 2 265.382 1.750 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc(C)c(C)s1 ZINC001039026168 781293198 /nfs/dbraw/zinc/29/31/98/781293198.db2.gz QUNMFEVNFQTJGF-LLVKDONJSA-N 1 2 265.382 1.750 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C3CC3)nn2C)C1 ZINC001042815668 781349143 /nfs/dbraw/zinc/34/91/43/781349143.db2.gz PTKZVMPKNNJTBR-UHFFFAOYSA-N 1 2 288.395 1.630 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000776041847 781507238 /nfs/dbraw/zinc/50/72/38/781507238.db2.gz NYKROGQTOLDLRP-UONOGXRCSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000776041847 781507279 /nfs/dbraw/zinc/50/72/79/781507279.db2.gz NYKROGQTOLDLRP-UONOGXRCSA-N 1 2 283.416 1.751 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncc(C)cc1C ZINC001032534239 781550960 /nfs/dbraw/zinc/55/09/60/781550960.db2.gz WYFRYNDLQUKUBP-GJZGRUSLSA-N 1 2 283.375 1.620 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncc(C)cc1C ZINC001032534239 781550987 /nfs/dbraw/zinc/55/09/87/781550987.db2.gz WYFRYNDLQUKUBP-GJZGRUSLSA-N 1 2 283.375 1.620 20 30 CDEDLO N#CCCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000427637053 781586348 /nfs/dbraw/zinc/58/63/48/781586348.db2.gz FECFJVICRXLIHO-AWEZNQCLSA-N 1 2 289.404 1.806 20 30 CDEDLO C#Cc1ccccc1CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000810349657 781586575 /nfs/dbraw/zinc/58/65/75/781586575.db2.gz JQXPENVMLRHLHT-AWEZNQCLSA-N 1 2 286.375 1.047 20 30 CDEDLO C#Cc1ccccc1CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000810349657 781586592 /nfs/dbraw/zinc/58/65/92/781586592.db2.gz JQXPENVMLRHLHT-AWEZNQCLSA-N 1 2 286.375 1.047 20 30 CDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1ncc[nH]1 ZINC001031658634 781682794 /nfs/dbraw/zinc/68/27/94/781682794.db2.gz PXFYANUWZDRDFK-UHFFFAOYSA-N 1 2 294.358 1.123 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(C)cc1F ZINC000884047574 781768061 /nfs/dbraw/zinc/76/80/61/781768061.db2.gz ASXPYFNJUUMFLF-NSHDSACASA-N 1 2 280.299 1.519 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]nc(C)c2c1 ZINC001038503878 781797753 /nfs/dbraw/zinc/79/77/53/781797753.db2.gz IZGKHXUWPVGMPJ-CYBMUJFWSA-N 1 2 282.347 1.309 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]nc(C)c2c1 ZINC001038503878 781797775 /nfs/dbraw/zinc/79/77/75/781797775.db2.gz IZGKHXUWPVGMPJ-CYBMUJFWSA-N 1 2 282.347 1.309 20 30 CDEDLO N#CCCN1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000827483443 781850180 /nfs/dbraw/zinc/85/01/80/781850180.db2.gz KXGBXFMMRQWRSD-UHFFFAOYSA-N 1 2 283.335 1.006 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(C(F)F)o2)CC1 ZINC000859003624 781853515 /nfs/dbraw/zinc/85/35/15/781853515.db2.gz RTVLBSFSGTZYDU-UHFFFAOYSA-N 1 2 282.290 1.998 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@@H](CF)C2)cc1 ZINC000840955796 781868915 /nfs/dbraw/zinc/86/89/15/781868915.db2.gz ZORVASUMOORCEF-HNNXBMFYSA-N 1 2 263.312 1.869 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCO[C@@H](CF)C2)cc1 ZINC000840955796 781868917 /nfs/dbraw/zinc/86/89/17/781868917.db2.gz ZORVASUMOORCEF-HNNXBMFYSA-N 1 2 263.312 1.869 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCN(C)c3ccccc32)C1 ZINC001030467143 781885695 /nfs/dbraw/zinc/88/56/95/781885695.db2.gz IAUQJXGIPNPYBK-INIZCTEOSA-N 1 2 299.418 1.987 20 30 CDEDLO Nc1ncc(C=[NH+]Nc2cc(F)c(F)c(F)c2)cn1 ZINC000781592163 783283139 /nfs/dbraw/zinc/28/31/39/783283139.db2.gz BZTGFNJQQZWFTL-UHFFFAOYSA-N 1 2 267.214 1.922 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1oc(CC)cc1C ZINC001038923446 783310117 /nfs/dbraw/zinc/31/01/17/783310117.db2.gz SXMADPCHMGGGMB-LBPRGKRZSA-N 1 2 260.337 1.588 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1oc(CC)cc1C ZINC001038923446 783310130 /nfs/dbraw/zinc/31/01/30/783310130.db2.gz SXMADPCHMGGGMB-LBPRGKRZSA-N 1 2 260.337 1.588 20 30 CDEDLO C=C1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CC(N)=O)CC1 ZINC001024633456 783312682 /nfs/dbraw/zinc/31/26/82/783312682.db2.gz JHYUDGDOCZJXBQ-AWEZNQCLSA-N 1 2 293.411 1.189 20 30 CDEDLO C=C1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(N)=O)CC1 ZINC001024633456 783312688 /nfs/dbraw/zinc/31/26/88/783312688.db2.gz JHYUDGDOCZJXBQ-AWEZNQCLSA-N 1 2 293.411 1.189 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCCO1)CCO2 ZINC001053223517 783316054 /nfs/dbraw/zinc/31/60/54/783316054.db2.gz ADVDYWRVULVAOQ-CQSZACIVSA-N 1 2 294.395 1.045 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCCC#N)Cc1ccccc1 ZINC000796638632 783322119 /nfs/dbraw/zinc/32/21/19/783322119.db2.gz CKNJPRXKHXQBKE-UHFFFAOYSA-N 1 2 255.321 1.152 20 30 CDEDLO C#CC[N@H+](CC(=O)NCCC#N)Cc1ccccc1 ZINC000796638632 783322132 /nfs/dbraw/zinc/32/21/32/783322132.db2.gz CKNJPRXKHXQBKE-UHFFFAOYSA-N 1 2 255.321 1.152 20 30 CDEDLO CCCC[C@H]1NC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853523961 783424405 /nfs/dbraw/zinc/42/44/05/783424405.db2.gz JWEJXYJERYLJIR-CHWSQXEVSA-N 1 2 292.383 1.680 20 30 CDEDLO CCCC[C@H]1NC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853523961 783424411 /nfs/dbraw/zinc/42/44/11/783424411.db2.gz JWEJXYJERYLJIR-CHWSQXEVSA-N 1 2 292.383 1.680 20 30 CDEDLO C#CCCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000174117443 912534356 /nfs/dbraw/zinc/53/43/56/912534356.db2.gz DAQIBURANSYUAS-UHFFFAOYSA-N 1 2 272.352 1.327 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]cnc2C)[C@H]1C ZINC001089084076 912596464 /nfs/dbraw/zinc/59/64/64/912596464.db2.gz QNLQYAQVRGOSGN-MNOVXSKESA-N 1 2 282.775 1.663 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]cnc2C)[C@H]1C ZINC001089084076 912596477 /nfs/dbraw/zinc/59/64/77/912596477.db2.gz QNLQYAQVRGOSGN-MNOVXSKESA-N 1 2 282.775 1.663 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc3n[nH]cc32)C1 ZINC001030771700 912713478 /nfs/dbraw/zinc/71/34/78/912713478.db2.gz WBZRRQMZJISPIN-UHFFFAOYSA-N 1 2 270.336 1.553 20 30 CDEDLO C=C(C)CN1C[C@@]2(F)C[N@@H+](CCC)C[C@@]2(F)C1=O ZINC001272458011 913139980 /nfs/dbraw/zinc/13/99/80/913139980.db2.gz ZTEANFWZPURDTF-QWHCGFSZSA-N 1 2 258.312 1.547 20 30 CDEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](CCC)C[C@@]2(F)C1=O ZINC001272458011 913139993 /nfs/dbraw/zinc/13/99/93/913139993.db2.gz ZTEANFWZPURDTF-QWHCGFSZSA-N 1 2 258.312 1.547 20 30 CDEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)c2cnns2)[C@H]1C ZINC000993100170 913781095 /nfs/dbraw/zinc/78/10/95/913781095.db2.gz YQZCLTIPWZZCSD-NXEZZACHSA-N 1 2 266.370 1.307 20 30 CDEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cnns2)[C@H]1C ZINC000993100170 913781104 /nfs/dbraw/zinc/78/11/04/913781104.db2.gz YQZCLTIPWZZCSD-NXEZZACHSA-N 1 2 266.370 1.307 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@H](C)SC ZINC001266267847 894004232 /nfs/dbraw/zinc/00/42/32/894004232.db2.gz QXOQRHGZNVAXHU-JTQLQIEISA-N 1 2 264.822 1.929 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@H](C)SC ZINC001266267847 894004244 /nfs/dbraw/zinc/00/42/44/894004244.db2.gz QXOQRHGZNVAXHU-JTQLQIEISA-N 1 2 264.822 1.929 20 30 CDEDLO N#CCc1cc[nH+]c(N2CCC(n3cnnc3)CC2)c1 ZINC001167116349 894618604 /nfs/dbraw/zinc/61/86/04/894618604.db2.gz SUJNTFNQCFHIBX-UHFFFAOYSA-N 1 2 268.324 1.581 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000188543318 895233758 /nfs/dbraw/zinc/23/37/58/895233758.db2.gz XLUPVFHGRVIBOS-ZFWWWQNUSA-N 1 2 285.384 1.479 20 30 CDEDLO C[C@@H](CC(=O)NCCC1(CNCC#N)CC1)n1cc[nH+]c1 ZINC001167348267 895396672 /nfs/dbraw/zinc/39/66/72/895396672.db2.gz DXNFLLJSSCGGKU-ZDUSSCGKSA-N 1 2 289.383 1.234 20 30 CDEDLO C#Cc1cc(Nc2ccc(NS(C)(=O)=O)cc2)cc[nH+]1 ZINC001204584921 896714050 /nfs/dbraw/zinc/71/40/50/896714050.db2.gz JDYGEHLHCGJQLV-UHFFFAOYSA-N 1 2 287.344 1.600 20 30 CDEDLO N#Cc1ccccc1CNc1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC001167634534 897125989 /nfs/dbraw/zinc/12/59/89/897125989.db2.gz GXGSQTPSRJCCGC-UHFFFAOYSA-N 1 2 292.302 1.492 20 30 CDEDLO C=C(C)C(=O)NCCCNc1[nH+]cnc2[nH]cc(F)c21 ZINC001167665219 897292473 /nfs/dbraw/zinc/29/24/73/897292473.db2.gz HBTMVRFGFWZMNQ-UHFFFAOYSA-N 1 2 277.303 1.543 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCOC1 ZINC001024350289 898046136 /nfs/dbraw/zinc/04/61/36/898046136.db2.gz NAZZYDZQPSUBHA-CHWSQXEVSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCOC1 ZINC001024350289 898046147 /nfs/dbraw/zinc/04/61/47/898046147.db2.gz NAZZYDZQPSUBHA-CHWSQXEVSA-N 1 2 286.803 1.746 20 30 CDEDLO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ncccc1O ZINC001024408197 898050122 /nfs/dbraw/zinc/05/01/22/898050122.db2.gz XUHCRFDXJOFOLB-LBPRGKRZSA-N 1 2 273.336 1.005 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ncccc1O ZINC001024408197 898050134 /nfs/dbraw/zinc/05/01/34/898050134.db2.gz XUHCRFDXJOFOLB-LBPRGKRZSA-N 1 2 273.336 1.005 20 30 CDEDLO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1nccs1 ZINC001024725800 898231679 /nfs/dbraw/zinc/23/16/79/898231679.db2.gz KHWTZFJXXYCKGH-LLVKDONJSA-N 1 2 263.366 1.361 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1nccs1 ZINC001024725800 898231697 /nfs/dbraw/zinc/23/16/97/898231697.db2.gz KHWTZFJXXYCKGH-LLVKDONJSA-N 1 2 263.366 1.361 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1n[nH]cc1C ZINC001480973514 898413769 /nfs/dbraw/zinc/41/37/69/898413769.db2.gz IKPBQDACMDUHOA-UHFFFAOYSA-N 1 2 270.764 1.522 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1n[nH]cc1C ZINC001480973514 898413774 /nfs/dbraw/zinc/41/37/74/898413774.db2.gz IKPBQDACMDUHOA-UHFFFAOYSA-N 1 2 270.764 1.522 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H]2OCC[N@@H+](CC(=C)C)[C@H]2C1 ZINC001176989274 914420631 /nfs/dbraw/zinc/42/06/31/914420631.db2.gz OQPDKRUHKHCESI-HOTGVXAUSA-N 1 2 290.407 1.668 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H]2OCC[N@H+](CC(=C)C)[C@H]2C1 ZINC001176989274 914420640 /nfs/dbraw/zinc/42/06/40/914420640.db2.gz OQPDKRUHKHCESI-HOTGVXAUSA-N 1 2 290.407 1.668 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)F)C1 ZINC001087418699 900436522 /nfs/dbraw/zinc/43/65/22/900436522.db2.gz UPNHCUXWFYJUJK-ZIAGYGMSSA-N 1 2 292.329 1.859 20 30 CDEDLO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)F)C1 ZINC001087418699 900436525 /nfs/dbraw/zinc/43/65/25/900436525.db2.gz UPNHCUXWFYJUJK-ZIAGYGMSSA-N 1 2 292.329 1.859 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ncoc1C ZINC001027773742 900809781 /nfs/dbraw/zinc/80/97/81/900809781.db2.gz OVAPJGSSJMNVAE-NSHDSACASA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ncoc1C ZINC001027773742 900809789 /nfs/dbraw/zinc/80/97/89/900809789.db2.gz OVAPJGSSJMNVAE-NSHDSACASA-N 1 2 283.759 1.930 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ncc(Cl)s1 ZINC001028024329 901166067 /nfs/dbraw/zinc/16/60/67/901166067.db2.gz ISFKJYHRWAIZEM-SECBINFHSA-N 1 2 283.784 1.624 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ncc(Cl)s1 ZINC001028024329 901166079 /nfs/dbraw/zinc/16/60/79/901166079.db2.gz ISFKJYHRWAIZEM-SECBINFHSA-N 1 2 283.784 1.624 20 30 CDEDLO C[C@H](C#N)C(=O)NC1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001481550431 901192754 /nfs/dbraw/zinc/19/27/54/901192754.db2.gz PHEASRIOZDCRQZ-NEPJUHHUSA-N 1 2 257.337 1.708 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2scnc2C)C1 ZINC001010297696 901257862 /nfs/dbraw/zinc/25/78/62/901257862.db2.gz MJKXBYRHGSWYSM-LLVKDONJSA-N 1 2 263.366 1.279 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2scnc2C)C1 ZINC001010297696 901257871 /nfs/dbraw/zinc/25/78/71/901257871.db2.gz MJKXBYRHGSWYSM-LLVKDONJSA-N 1 2 263.366 1.279 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2cscc2Cl)CCCN1O ZINC000895163620 905594654 /nfs/dbraw/zinc/59/46/54/905594654.db2.gz WRUMXICPUMIKBB-VIFPVBQESA-N 1 2 260.746 1.871 20 30 CDEDLO C#Cc1ccc(C(=O)NCCc2[nH+]ccn2C)cc1 ZINC001188751002 921164426 /nfs/dbraw/zinc/16/44/26/921164426.db2.gz UMXKDQHGFUDXNP-UHFFFAOYSA-N 1 2 253.305 1.374 20 30 CDEDLO CSc1nc(C[NH+]2CC3(C2)CCOC3)ccc1C#N ZINC001141929619 906129222 /nfs/dbraw/zinc/12/92/22/906129222.db2.gz YOZTZRSNKDRAOS-UHFFFAOYSA-N 1 2 275.377 1.897 20 30 CDEDLO C#CCCCCC(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128315926 921263238 /nfs/dbraw/zinc/26/32/38/921263238.db2.gz BAAQTDDETJMZME-UHFFFAOYSA-N 1 2 288.395 1.528 20 30 CDEDLO C#CCCCCC(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128315926 921263244 /nfs/dbraw/zinc/26/32/44/921263244.db2.gz BAAQTDDETJMZME-UHFFFAOYSA-N 1 2 288.395 1.528 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+][C@H](C)c1nnc(CC)o1 ZINC001128413758 921298125 /nfs/dbraw/zinc/29/81/25/921298125.db2.gz MUOUFTWWQZSBDC-LLVKDONJSA-N 1 2 280.372 1.755 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)n[nH]2)[C@H]1C ZINC001088477666 907405584 /nfs/dbraw/zinc/40/55/84/907405584.db2.gz MFHVPGOCQCRVCP-MNOVXSKESA-N 1 2 282.775 1.663 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)n[nH]2)[C@H]1C ZINC001088477666 907405592 /nfs/dbraw/zinc/40/55/92/907405592.db2.gz MFHVPGOCQCRVCP-MNOVXSKESA-N 1 2 282.775 1.663 20 30 CDEDLO C=CCc1cc(C)c[nH+]c1NC1CN(S(C)(=O)=O)C1 ZINC001168220834 907935076 /nfs/dbraw/zinc/93/50/76/907935076.db2.gz WQXCMOHLJVHYAI-UHFFFAOYSA-N 1 2 281.381 1.174 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccns2)[C@H]1C ZINC001088599895 908203460 /nfs/dbraw/zinc/20/34/60/908203460.db2.gz LAQYWGJAPIKOJS-MNOVXSKESA-N 1 2 263.366 1.359 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccns2)[C@H]1C ZINC001088599895 908203473 /nfs/dbraw/zinc/20/34/73/908203473.db2.gz LAQYWGJAPIKOJS-MNOVXSKESA-N 1 2 263.366 1.359 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCc3cn[nH]c32)C1 ZINC001042723138 908984859 /nfs/dbraw/zinc/98/48/59/908984859.db2.gz FYOBHPAHSJGJRL-CYBMUJFWSA-N 1 2 274.368 1.158 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccon2)C1 ZINC001032916358 921486933 /nfs/dbraw/zinc/48/69/33/921486933.db2.gz BJKVFLHINQSQAX-JTQLQIEISA-N 1 2 269.732 1.573 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccon2)C1 ZINC001032916358 921486944 /nfs/dbraw/zinc/48/69/44/921486944.db2.gz BJKVFLHINQSQAX-JTQLQIEISA-N 1 2 269.732 1.573 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](C)CC)CC2)C1 ZINC001093508998 909879681 /nfs/dbraw/zinc/87/96/81/909879681.db2.gz FRWMZSGDCSTZKG-CYBMUJFWSA-N 1 2 280.412 1.910 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)s2)C1 ZINC001076691942 909988127 /nfs/dbraw/zinc/98/81/27/909988127.db2.gz 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922298521 /nfs/dbraw/zinc/29/85/21/922298521.db2.gz OTWUHFFHNJZGQJ-NSHDSACASA-N 1 2 282.775 1.319 20 30 CDEDLO N#Cc1c(F)cc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1F ZINC001140753150 936750556 /nfs/dbraw/zinc/75/05/56/936750556.db2.gz YUIROBKHHNFQAL-QMTHXVAHSA-N 1 2 282.290 1.012 20 30 CDEDLO N#Cc1c(F)cc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1F ZINC001140753150 936750557 /nfs/dbraw/zinc/75/05/57/936750557.db2.gz YUIROBKHHNFQAL-QMTHXVAHSA-N 1 2 282.290 1.012 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001191714940 922707335 /nfs/dbraw/zinc/70/73/35/922707335.db2.gz NJENAHSSLMMBCL-IAGOWNOFSA-N 1 2 298.386 1.166 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001191714940 922707355 /nfs/dbraw/zinc/70/73/55/922707355.db2.gz NJENAHSSLMMBCL-IAGOWNOFSA-N 1 2 298.386 1.166 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C/C=C(/C)C=C)C1 ZINC001108138393 922726039 /nfs/dbraw/zinc/72/60/39/922726039.db2.gz MNRYBFQJKPPQGO-ACQAZONXSA-N 1 2 278.396 1.902 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C/C=C(/C)C=C)C1 ZINC001108138393 922726051 /nfs/dbraw/zinc/72/60/51/922726051.db2.gz MNRYBFQJKPPQGO-ACQAZONXSA-N 1 2 278.396 1.902 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cncnc2C2CC2)CC1 ZINC000836556105 936788243 /nfs/dbraw/zinc/78/82/43/936788243.db2.gz JEZOPGCFAHIFRM-UHFFFAOYSA-N 1 2 284.363 1.135 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001035475774 922985194 /nfs/dbraw/zinc/98/51/94/922985194.db2.gz SLDUBGLQCVWLGO-UONOGXRCSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001035475774 922985206 /nfs/dbraw/zinc/98/52/06/922985206.db2.gz SLDUBGLQCVWLGO-UONOGXRCSA-N 1 2 280.412 1.816 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001035510027 922994080 /nfs/dbraw/zinc/99/40/80/922994080.db2.gz GZHWYZUEANCHKC-HZSPNIEDSA-N 1 2 266.385 1.426 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001035510027 922994090 /nfs/dbraw/zinc/99/40/90/922994090.db2.gz 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ZINC001108171657 923543701 /nfs/dbraw/zinc/54/37/01/923543701.db2.gz NUNIQONXYPNQOS-MRXNPFEDSA-N 1 2 278.396 1.573 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(F)(F)C(F)F)C1 ZINC000923569084 923945501 /nfs/dbraw/zinc/94/55/01/923945501.db2.gz LWUGCUAKQXVZLV-QMMMGPOBSA-N 1 2 266.238 1.101 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(F)(F)C(F)F)C1 ZINC000923569084 923945512 /nfs/dbraw/zinc/94/55/12/923945512.db2.gz LWUGCUAKQXVZLV-QMMMGPOBSA-N 1 2 266.238 1.101 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccncc2)C1 ZINC001079355576 924274940 /nfs/dbraw/zinc/27/49/40/924274940.db2.gz BAILHBSGYDVPHD-ZWNOBZJWSA-N 1 2 279.771 1.884 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccncc2)C1 ZINC001079355576 924274947 /nfs/dbraw/zinc/27/49/47/924274947.db2.gz BAILHBSGYDVPHD-ZWNOBZJWSA-N 1 2 279.771 1.884 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(Cl)c(C)[nH]c2=O)CC1 ZINC001194701605 924302996 /nfs/dbraw/zinc/30/29/96/924302996.db2.gz OBFLPDWRBVIHCD-UHFFFAOYSA-N 1 2 295.770 1.693 20 30 CDEDLO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001079498507 924345891 /nfs/dbraw/zinc/34/58/91/924345891.db2.gz HGUOGIXDFPOSSM-BXKDBHETSA-N 1 2 262.357 1.263 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001079498507 924345898 /nfs/dbraw/zinc/34/58/98/924345898.db2.gz HGUOGIXDFPOSSM-BXKDBHETSA-N 1 2 262.357 1.263 20 30 CDEDLO C#CCCNc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000840262942 936945687 /nfs/dbraw/zinc/94/56/87/936945687.db2.gz JLPILEWLNVLUTO-NWDGAFQWSA-N 1 2 260.341 1.119 20 30 CDEDLO C#CCCNc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000840262942 936945690 /nfs/dbraw/zinc/94/56/90/936945690.db2.gz JLPILEWLNVLUTO-NWDGAFQWSA-N 1 2 260.341 1.119 20 30 CDEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC001196854930 925002441 /nfs/dbraw/zinc/00/24/41/925002441.db2.gz VTIDTUMTDVHBLR-KGLIPLIRSA-N 1 2 295.427 1.115 20 30 CDEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC001196854930 925002447 /nfs/dbraw/zinc/00/24/47/925002447.db2.gz VTIDTUMTDVHBLR-KGLIPLIRSA-N 1 2 295.427 1.115 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1nnc(C)n1CCC)[C@H]1CCCO1 ZINC000775787885 925248601 /nfs/dbraw/zinc/24/86/01/925248601.db2.gz BBBZYLKAXWGSRN-CHWSQXEVSA-N 1 2 262.357 1.267 20 30 CDEDLO O=C(C[N@@H+]1CCc2sccc2C1)NCCCS ZINC001142225207 936992058 /nfs/dbraw/zinc/99/20/58/936992058.db2.gz AFLSOYRJGOTSSD-UHFFFAOYSA-N 1 2 270.423 1.542 20 30 CDEDLO O=C(C[N@H+]1CCc2sccc2C1)NCCCS ZINC001142225207 936992059 /nfs/dbraw/zinc/99/20/59/936992059.db2.gz AFLSOYRJGOTSSD-UHFFFAOYSA-N 1 2 270.423 1.542 20 30 CDEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)C=C(C)C)c1nccn12 ZINC001101604301 936994145 /nfs/dbraw/zinc/99/41/45/936994145.db2.gz RIRDNWWAACXGDB-CQSZACIVSA-N 1 2 298.390 1.445 20 30 CDEDLO C=CCCC(=O)N[C@H]1CC2(C[NH+](CC=C)C2)n2ccnc21 ZINC001101614248 936994337 /nfs/dbraw/zinc/99/43/37/936994337.db2.gz QRGVWSRLMCCGKB-ZDUSSCGKSA-N 1 2 286.379 1.607 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CSC(C)C ZINC001230824091 925547714 /nfs/dbraw/zinc/54/77/14/925547714.db2.gz SDUXBJXRKDWTQT-CYBMUJFWSA-N 1 2 268.426 1.684 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CSC(C)C ZINC001230824091 925547719 /nfs/dbraw/zinc/54/77/19/925547719.db2.gz SDUXBJXRKDWTQT-CYBMUJFWSA-N 1 2 268.426 1.684 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cccc(F)n2)C1=O ZINC001273300493 925764860 /nfs/dbraw/zinc/76/48/60/925764860.db2.gz UFOAWCFSPBGIJP-MRXNPFEDSA-N 1 2 287.338 1.421 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cccc(F)n2)C1=O ZINC001273300493 925764868 /nfs/dbraw/zinc/76/48/68/925764868.db2.gz UFOAWCFSPBGIJP-MRXNPFEDSA-N 1 2 287.338 1.421 20 30 CDEDLO CCn1nc(C)c(CO[NH+]=C(N)c2ccc(OC)cc2)n1 ZINC000842021573 937028674 /nfs/dbraw/zinc/02/86/74/937028674.db2.gz QGGNQAJDVOTCGY-UHFFFAOYSA-N 1 2 289.339 1.452 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)cs1 ZINC001085586050 926181047 /nfs/dbraw/zinc/18/10/47/926181047.db2.gz NLLKBTLAZNBNGC-GFCCVEGCSA-N 1 2 262.378 1.836 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)cs1 ZINC001085586050 926181055 /nfs/dbraw/zinc/18/10/55/926181055.db2.gz NLLKBTLAZNBNGC-GFCCVEGCSA-N 1 2 262.378 1.836 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ncc(OC)cc1F ZINC001085632882 926234248 /nfs/dbraw/zinc/23/42/48/926234248.db2.gz GQYKMQZSHDBECS-NSHDSACASA-N 1 2 291.326 1.009 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncc(OC)cc1F ZINC001085632882 926234255 /nfs/dbraw/zinc/23/42/55/926234255.db2.gz GQYKMQZSHDBECS-NSHDSACASA-N 1 2 291.326 1.009 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nccc2cccnc21 ZINC001085646644 926246669 /nfs/dbraw/zinc/24/66/69/926246669.db2.gz LFUSBGRFNRKKRA-CQSZACIVSA-N 1 2 294.358 1.409 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nccc2cccnc21 ZINC001085646644 926246678 /nfs/dbraw/zinc/24/66/78/926246678.db2.gz LFUSBGRFNRKKRA-CQSZACIVSA-N 1 2 294.358 1.409 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)c(F)c1 ZINC001085708507 926306441 /nfs/dbraw/zinc/30/64/41/926306441.db2.gz KCWZPSQICOZUNB-CQSZACIVSA-N 1 2 274.339 1.914 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)c(F)c1 ZINC001085708507 926306447 /nfs/dbraw/zinc/30/64/47/926306447.db2.gz KCWZPSQICOZUNB-CQSZACIVSA-N 1 2 274.339 1.914 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2nccn21 ZINC001085721443 926325747 /nfs/dbraw/zinc/32/57/47/926325747.db2.gz WBXQGNIYPVZEHL-CYBMUJFWSA-N 1 2 282.347 1.114 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2nccn21 ZINC001085721443 926325756 /nfs/dbraw/zinc/32/57/56/926325756.db2.gz WBXQGNIYPVZEHL-CYBMUJFWSA-N 1 2 282.347 1.114 20 30 CDEDLO C#CCCCNc1ccc(CN2C(=O)CCC2=O)c[nH+]1 ZINC001155013697 926385712 /nfs/dbraw/zinc/38/57/12/926385712.db2.gz BDQOMKAQCLKFKL-UHFFFAOYSA-N 1 2 271.320 1.556 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccnc1C ZINC001085792382 926397801 /nfs/dbraw/zinc/39/78/01/926397801.db2.gz JGASWTLMGNZZHN-CYBMUJFWSA-N 1 2 257.337 1.170 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccnc1C ZINC001085792382 926397817 /nfs/dbraw/zinc/39/78/17/926397817.db2.gz JGASWTLMGNZZHN-CYBMUJFWSA-N 1 2 257.337 1.170 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001085827660 926428949 /nfs/dbraw/zinc/42/89/49/926428949.db2.gz YXEVHBYSVOEFRK-UPJWGTAASA-N 1 2 270.348 1.080 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001085827660 926428954 /nfs/dbraw/zinc/42/89/54/926428954.db2.gz YXEVHBYSVOEFRK-UPJWGTAASA-N 1 2 270.348 1.080 20 30 CDEDLO C#Cc1cc(Nc2cnn(Cc3ccncc3)c2)cc[nH+]1 ZINC001203125089 937082578 /nfs/dbraw/zinc/08/25/78/937082578.db2.gz PVRHPVJPJZPIKH-UHFFFAOYSA-N 1 2 275.315 1.868 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1Cc2c(cccc2C)O1 ZINC001085927896 926514024 /nfs/dbraw/zinc/51/40/24/926514024.db2.gz JLYZUYKZALLQTN-RHSMWYFYSA-N 1 2 298.386 1.464 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1Cc2c(cccc2C)O1 ZINC001085927896 926514034 /nfs/dbraw/zinc/51/40/34/926514034.db2.gz JLYZUYKZALLQTN-RHSMWYFYSA-N 1 2 298.386 1.464 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001086008521 926597975 /nfs/dbraw/zinc/59/79/75/926597975.db2.gz UBFMLQMWTLYDKV-HOTGVXAUSA-N 1 2 298.386 1.464 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001086008521 926597978 /nfs/dbraw/zinc/59/79/78/926597978.db2.gz UBFMLQMWTLYDKV-HOTGVXAUSA-N 1 2 298.386 1.464 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC23CC3)C1 ZINC001108240332 926660656 /nfs/dbraw/zinc/66/06/56/926660656.db2.gz FSBHKQKYKVKMAK-GXTWGEPZSA-N 1 2 264.369 1.180 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC23CC3)C1 ZINC001108240332 926660662 /nfs/dbraw/zinc/66/06/62/926660662.db2.gz FSBHKQKYKVKMAK-GXTWGEPZSA-N 1 2 264.369 1.180 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC23CCC3)C1 ZINC001108248696 926774007 /nfs/dbraw/zinc/77/40/07/926774007.db2.gz OYTCQQWFCVJMNV-GDBMZVCRSA-N 1 2 290.407 1.407 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC23CCC3)C1 ZINC001108248696 926774013 /nfs/dbraw/zinc/77/40/13/926774013.db2.gz OYTCQQWFCVJMNV-GDBMZVCRSA-N 1 2 290.407 1.407 20 30 CDEDLO C#CCO[C@@H](C)C(=O)NC[C@H](CC)Nc1cc[nH+]c(C)n1 ZINC001103197016 937127685 /nfs/dbraw/zinc/12/76/85/937127685.db2.gz ZSHJYGAFYFRYGL-AAEUAGOBSA-N 1 2 290.367 1.130 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC23CCCC3)C1 ZINC001108325031 927391532 /nfs/dbraw/zinc/39/15/32/927391532.db2.gz KKJUCEOUGJZZKZ-GDBMZVCRSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC23CCCC3)C1 ZINC001108325031 927391544 /nfs/dbraw/zinc/39/15/44/927391544.db2.gz KKJUCEOUGJZZKZ-GDBMZVCRSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)CCCOC)C1 ZINC001108327953 927393360 /nfs/dbraw/zinc/39/33/60/927393360.db2.gz XJYPZWMHUZWPNZ-HOCLYGCPSA-N 1 2 298.427 1.442 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)CCCOC)C1 ZINC001108327953 927393347 /nfs/dbraw/zinc/39/33/47/927393347.db2.gz XJYPZWMHUZWPNZ-HOCLYGCPSA-N 1 2 298.427 1.442 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc(CCC#N)cc2)C[NH2+]1 ZINC001169130149 927744195 /nfs/dbraw/zinc/74/41/95/927744195.db2.gz KCDCOXQBJNNKTK-KGLIPLIRSA-N 1 2 273.336 1.458 20 30 CDEDLO C#CCOCCOC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000780440907 937197815 /nfs/dbraw/zinc/19/78/15/937197815.db2.gz ZMHGPXJPYRCNIQ-HNNXBMFYSA-N 1 2 275.348 1.872 20 30 CDEDLO C#CCOCCOC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000780440907 937197818 /nfs/dbraw/zinc/19/78/18/937197818.db2.gz ZMHGPXJPYRCNIQ-HNNXBMFYSA-N 1 2 275.348 1.872 20 30 CDEDLO C#CCCCCCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000780459368 937198331 /nfs/dbraw/zinc/19/83/31/937198331.db2.gz QGSRWURVJUASGN-AWEZNQCLSA-N 1 2 266.385 1.407 20 30 CDEDLO C#CCCCCCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000780459368 937198333 /nfs/dbraw/zinc/19/83/33/937198333.db2.gz QGSRWURVJUASGN-AWEZNQCLSA-N 1 2 266.385 1.407 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)CCCF)C1 ZINC001150109283 937218709 /nfs/dbraw/zinc/21/87/09/937218709.db2.gz NGSABPPLHGXOHK-GFCCVEGCSA-N 1 2 292.782 1.696 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)CCCF)C1 ZINC001150109283 937218710 /nfs/dbraw/zinc/21/87/10/937218710.db2.gz NGSABPPLHGXOHK-GFCCVEGCSA-N 1 2 292.782 1.696 20 30 CDEDLO C[N@@H+]1CCOC[C@@H]1CNc1ncnc2cc(C#N)ccc21 ZINC001169650570 928282493 /nfs/dbraw/zinc/28/24/93/928282493.db2.gz CSOUQZQJFPDXSR-LBPRGKRZSA-N 1 2 283.335 1.244 20 30 CDEDLO C[N@H+]1CCOC[C@@H]1CNc1ncnc2cc(C#N)ccc21 ZINC001169650570 928282504 /nfs/dbraw/zinc/28/25/04/928282504.db2.gz CSOUQZQJFPDXSR-LBPRGKRZSA-N 1 2 283.335 1.244 20 30 CDEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCF)CCC1 ZINC001109392937 928914136 /nfs/dbraw/zinc/91/41/36/928914136.db2.gz ITGBXILCDZXKIN-RDBSUJKOSA-N 1 2 278.371 1.871 20 30 CDEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCF)CCC1 ZINC001109392937 928914143 /nfs/dbraw/zinc/91/41/43/928914143.db2.gz ITGBXILCDZXKIN-RDBSUJKOSA-N 1 2 278.371 1.871 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)C(C#N)(CC)CC)CC1 ZINC000859003575 928948526 /nfs/dbraw/zinc/94/85/26/928948526.db2.gz PROIHLVPDSNCAL-UHFFFAOYSA-N 1 2 261.369 1.484 20 30 CDEDLO C#CC[C@@H](CCOC)NC(=O)NCCNc1cccc[nH+]1 ZINC000859022860 928952954 /nfs/dbraw/zinc/95/29/54/928952954.db2.gz SMYYVPZBBQXWCP-ZDUSSCGKSA-N 1 2 290.367 1.221 20 30 CDEDLO Cc1noc(C[NH2+]CCNC(=O)CC#Cc2ccccc2)n1 ZINC001151953007 937321647 /nfs/dbraw/zinc/32/16/47/937321647.db2.gz PKHYZCJKURCJKO-UHFFFAOYSA-N 1 2 298.346 1.026 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](OCC)C(C)C)CC1 ZINC001112839676 929485743 /nfs/dbraw/zinc/48/57/43/929485743.db2.gz RLGOXBRGHXBSSP-CYBMUJFWSA-N 1 2 254.374 1.378 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCOCC2CC2)CC1 ZINC001112846942 929490252 /nfs/dbraw/zinc/49/02/52/929490252.db2.gz FXLWZRGDUDYQJF-UHFFFAOYSA-N 1 2 252.358 1.133 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](CC)CC(F)F)CC1 ZINC001112955106 929593036 /nfs/dbraw/zinc/59/30/36/929593036.db2.gz PDCHMTHZVGJYGF-NSHDSACASA-N 1 2 260.328 1.998 20 30 CDEDLO Nc1nc2c(s1)C(=[NH+]OC1CCOCC1)CCC2 ZINC000814906506 929884742 /nfs/dbraw/zinc/88/47/42/929884742.db2.gz XRTVDAHKPCKMMQ-UHFFFAOYSA-N 1 2 267.354 1.961 20 30 CDEDLO CN(C)c1cc(Cl)cc(Cl)c1C=[NH+]NCCO ZINC000814943853 929905545 /nfs/dbraw/zinc/90/55/45/929905545.db2.gz LAIBTVLLMZWOKK-UHFFFAOYSA-N 1 2 276.167 1.975 20 30 CDEDLO C#C[C@@H](NC(=O)[C@@H](C(CC)CC)[NH+]1CCOCC1)C(C)C ZINC000799043701 937374025 /nfs/dbraw/zinc/37/40/25/937374025.db2.gz BKWTYMGSCOISGE-HZPDHXFCSA-N 1 2 294.439 1.897 20 30 CDEDLO C[C@@H](CC(=O)Nc1cccc(CC#N)n1)n1cc[nH+]c1 ZINC000882471114 930005550 /nfs/dbraw/zinc/00/55/50/930005550.db2.gz JGZMDWOWGNFBMF-NSHDSACASA-N 1 2 269.308 1.934 20 30 CDEDLO C=CCC(F)(F)C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000816196162 930203487 /nfs/dbraw/zinc/20/34/87/930203487.db2.gz SOWZYRMVBBZMPQ-MNOVXSKESA-N 1 2 276.327 1.111 20 30 CDEDLO C=CCC(F)(F)C(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000816196162 930203492 /nfs/dbraw/zinc/20/34/92/930203492.db2.gz SOWZYRMVBBZMPQ-MNOVXSKESA-N 1 2 276.327 1.111 20 30 CDEDLO Oc1ccc(C=NNCCC[NH+]2CCOCC2)c(F)c1F ZINC000884461755 930571943 /nfs/dbraw/zinc/57/19/43/930571943.db2.gz NFBLOQCTZPYEEV-UHFFFAOYSA-N 1 2 299.321 1.316 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](Nc2nc(OC)ncc2Cl)C1 ZINC000884612226 930606542 /nfs/dbraw/zinc/60/65/42/930606542.db2.gz HMIFQYWOQHDCJT-JTQLQIEISA-N 1 2 280.759 1.648 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](Nc2nc(OC)ncc2Cl)C1 ZINC000884612226 930606545 /nfs/dbraw/zinc/60/65/45/930606545.db2.gz HMIFQYWOQHDCJT-JTQLQIEISA-N 1 2 280.759 1.648 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3c(c2)OCC3)CC1 ZINC001153354935 937442208 /nfs/dbraw/zinc/44/22/08/937442208.db2.gz FVWZIBFHWRBFDV-UHFFFAOYSA-N 1 2 272.348 1.565 20 30 CDEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC001116396763 937445911 /nfs/dbraw/zinc/44/59/11/937445911.db2.gz OMLXRWPDYDLQIZ-UHFFFAOYSA-N 1 2 277.349 1.140 20 30 CDEDLO C#CCOCC[N@H+](C)CC(=O)Nc1sccc1C#N ZINC001116396763 937445912 /nfs/dbraw/zinc/44/59/12/937445912.db2.gz OMLXRWPDYDLQIZ-UHFFFAOYSA-N 1 2 277.349 1.140 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000823087801 931252849 /nfs/dbraw/zinc/25/28/49/931252849.db2.gz FTXMWJUTANGKDX-QWHCGFSZSA-N 1 2 261.325 1.085 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nccc(C)n1 ZINC000823712402 931343703 /nfs/dbraw/zinc/34/37/03/931343703.db2.gz YGOZRNDBLIZQDV-STQMWFEESA-N 1 2 272.352 1.060 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nccc(C)n1 ZINC000823712402 931343707 /nfs/dbraw/zinc/34/37/07/931343707.db2.gz YGOZRNDBLIZQDV-STQMWFEESA-N 1 2 272.352 1.060 20 30 CDEDLO C[N@@H+]1CCc2nc(C(=O)N3CC(C)(C#N)C3)sc2C1 ZINC001154213524 937517853 /nfs/dbraw/zinc/51/78/53/937517853.db2.gz LJZPPPLCSBUGPW-UHFFFAOYSA-N 1 2 276.365 1.117 20 30 CDEDLO C[N@H+]1CCc2nc(C(=O)N3CC(C)(C#N)C3)sc2C1 ZINC001154213524 937517855 /nfs/dbraw/zinc/51/78/55/937517855.db2.gz LJZPPPLCSBUGPW-UHFFFAOYSA-N 1 2 276.365 1.117 20 30 CDEDLO Cc1ccc(N2CC[NH+](Cc3ccc(C#N)cn3)CC2)nc1 ZINC001144162954 931676992 /nfs/dbraw/zinc/67/69/92/931676992.db2.gz FVBFHVXKCIDVLC-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO C[C@@H](C#N)OCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845285768 931794496 /nfs/dbraw/zinc/79/44/96/931794496.db2.gz SONAOPRKFOYKOQ-QWRGUYRKSA-N 1 2 251.286 1.306 20 30 CDEDLO C#Cc1ccc(C[NH+]2CC(N3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC001144580481 931903022 /nfs/dbraw/zinc/90/30/22/931903022.db2.gz DLIRKWSXXPNXKJ-GASCZTMLSA-N 1 2 284.403 1.961 20 30 CDEDLO CC[C@@H](C(=O)N(C)C[C@@H](C)C#N)[N@@H+]1CCO[C@H](CC)C1 ZINC001411667138 931949021 /nfs/dbraw/zinc/94/90/21/931949021.db2.gz SSBKJIUOTUETQK-MJBXVCDLSA-N 1 2 281.400 1.494 20 30 CDEDLO CC[C@@H](C(=O)N(C)C[C@@H](C)C#N)[N@H+]1CCO[C@H](CC)C1 ZINC001411667138 931949024 /nfs/dbraw/zinc/94/90/24/931949024.db2.gz SSBKJIUOTUETQK-MJBXVCDLSA-N 1 2 281.400 1.494 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC1CCC2(CC1)OCCO2 ZINC000846990919 932177247 /nfs/dbraw/zinc/17/72/47/932177247.db2.gz FUZDKZVNQUKWKI-GFCCVEGCSA-N 1 2 295.383 1.070 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC(OC)C1)C2 ZINC001095586396 932723807 /nfs/dbraw/zinc/72/38/07/932723807.db2.gz JIQQXCWOFCDEJT-UTAXJDLNSA-N 1 2 298.814 1.885 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC(OC)C1)C2 ZINC001095586396 932723813 /nfs/dbraw/zinc/72/38/13/932723813.db2.gz JIQQXCWOFCDEJT-UTAXJDLNSA-N 1 2 298.814 1.885 20 30 CDEDLO CC(C)Oc1ccc(C(=O)NC2C[NH+](C)C2)cc1C#N ZINC001148774440 932788974 /nfs/dbraw/zinc/78/89/74/932788974.db2.gz DZMUGIKSWRBCPJ-UHFFFAOYSA-N 1 2 273.336 1.389 20 30 CDEDLO C=CCN1CC2(C[NH+](CC(C)(C)C(=O)CC)C2)OCC1=O ZINC001273452313 932830325 /nfs/dbraw/zinc/83/03/25/932830325.db2.gz OSKREDZYSJVONS-UHFFFAOYSA-N 1 2 294.395 1.091 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2cncc(C)c2)CC1 ZINC000930640279 933419707 /nfs/dbraw/zinc/41/97/07/933419707.db2.gz VFWGLMRQPWDUIJ-UHFFFAOYSA-N 1 2 273.336 1.669 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC000931345700 933546212 /nfs/dbraw/zinc/54/62/12/933546212.db2.gz JPYNURYXCXJIKU-UHFFFAOYSA-N 1 2 282.347 1.344 20 30 CDEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cccc(=O)[nH]1 ZINC000933394797 933816915 /nfs/dbraw/zinc/81/69/15/933816915.db2.gz XNOSZCDOCLACFL-OAHLLOKOSA-N 1 2 288.351 1.027 20 30 CDEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cccc(=O)[nH]1 ZINC000933394797 933816919 /nfs/dbraw/zinc/81/69/19/933816919.db2.gz XNOSZCDOCLACFL-OAHLLOKOSA-N 1 2 288.351 1.027 20 30 CDEDLO C[C@H](C(=O)NCCC#C[Si](C)(C)C)n1cc[nH+]c1 ZINC001119658535 937745129 /nfs/dbraw/zinc/74/51/29/937745129.db2.gz KFMBDBDDJBDHSS-GFCCVEGCSA-N 1 2 263.417 1.831 20 30 CDEDLO C=C[C@@H](O)CNc1ccc(N2CCC(O)CC2)[nH+]c1 ZINC001253569202 935090061 /nfs/dbraw/zinc/09/00/61/935090061.db2.gz UEKCKGIWMIWVGP-GFCCVEGCSA-N 1 2 263.341 1.002 20 30 CDEDLO C=C[C@H](O)C[NH+]1CC(Oc2ccc(F)c(F)c2)C1 ZINC001253578568 935240960 /nfs/dbraw/zinc/24/09/60/935240960.db2.gz DJXISZXANSQUHS-VIFPVBQESA-N 1 2 255.264 1.575 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001007376392 935379227 /nfs/dbraw/zinc/37/92/27/935379227.db2.gz YOFLLFNDBULLKF-OBJOEFQTSA-N 1 2 284.787 1.356 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001007376392 935379232 /nfs/dbraw/zinc/37/92/32/935379232.db2.gz YOFLLFNDBULLKF-OBJOEFQTSA-N 1 2 284.787 1.356 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC001008963549 935416673 /nfs/dbraw/zinc/41/66/73/935416673.db2.gz VXIOOAMIWWFPKB-LBPRGKRZSA-N 1 2 284.363 1.943 20 30 CDEDLO C=CC[N@H+]1CCC[C@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC001008963549 935416675 /nfs/dbraw/zinc/41/66/75/935416675.db2.gz VXIOOAMIWWFPKB-LBPRGKRZSA-N 1 2 284.363 1.943 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001010302407 935451223 /nfs/dbraw/zinc/45/12/23/935451223.db2.gz MCMONRKTVBFYAZ-HNNXBMFYSA-N 1 2 295.346 1.286 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001010302407 935451227 /nfs/dbraw/zinc/45/12/27/935451227.db2.gz MCMONRKTVBFYAZ-HNNXBMFYSA-N 1 2 295.346 1.286 20 30 CDEDLO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3cn[nH]c32)C1 ZINC001014440270 935536308 /nfs/dbraw/zinc/53/63/08/935536308.db2.gz WJUFSEKYQJSBRZ-KBPBESRZSA-N 1 2 286.379 1.043 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nnc1C ZINC001017587885 935643321 /nfs/dbraw/zinc/64/33/21/935643321.db2.gz IEVVMMWDRNFXCI-GASCZTMLSA-N 1 2 298.390 1.406 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nnc1C ZINC001017587885 935643323 /nfs/dbraw/zinc/64/33/23/935643323.db2.gz IEVVMMWDRNFXCI-GASCZTMLSA-N 1 2 298.390 1.406 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccnc1C ZINC001017944387 935656103 /nfs/dbraw/zinc/65/61/03/935656103.db2.gz FOBDGHOLPVTFNN-IYBDPMFKSA-N 1 2 283.375 1.241 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccnc1C ZINC001017944387 935656106 /nfs/dbraw/zinc/65/61/06/935656106.db2.gz FOBDGHOLPVTFNN-IYBDPMFKSA-N 1 2 283.375 1.241 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(CC)cn1 ZINC001017978700 935656863 /nfs/dbraw/zinc/65/68/63/935656863.db2.gz QBOOWSKGOINFFU-CALCHBBNSA-N 1 2 297.402 1.495 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(CC)cn1 ZINC001017978700 935656865 /nfs/dbraw/zinc/65/68/65/935656865.db2.gz QBOOWSKGOINFFU-CALCHBBNSA-N 1 2 297.402 1.495 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CCC)nn1 ZINC001018115904 935660682 /nfs/dbraw/zinc/66/06/82/935660682.db2.gz GVJBURLMSXPASH-BETUJISGSA-N 1 2 289.383 1.163 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CCC)nn1 ZINC001018115904 935660685 /nfs/dbraw/zinc/66/06/85/935660685.db2.gz GVJBURLMSXPASH-BETUJISGSA-N 1 2 289.383 1.163 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@@H]1OC ZINC001018336209 935664963 /nfs/dbraw/zinc/66/49/63/935664963.db2.gz YLYXINGLCQVLEV-FZKCQIBNSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@@H]1OC ZINC001018336209 935664966 /nfs/dbraw/zinc/66/49/66/935664966.db2.gz YLYXINGLCQVLEV-FZKCQIBNSA-N 1 2 290.407 1.500 20 30 CDEDLO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C/C=C/Cl)[nH]1 ZINC001038172546 935736187 /nfs/dbraw/zinc/73/61/87/935736187.db2.gz IMVCKIZYCIIOOG-SRCWYMLCSA-N 1 2 278.743 1.443 20 30 CDEDLO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C/C=C/Cl)[nH]1 ZINC001038172546 935736189 /nfs/dbraw/zinc/73/61/89/935736189.db2.gz IMVCKIZYCIIOOG-SRCWYMLCSA-N 1 2 278.743 1.443 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C2CC2)n(C)n1 ZINC001038316710 935740477 /nfs/dbraw/zinc/74/04/77/935740477.db2.gz WPBIOZWTKLHBRE-CYBMUJFWSA-N 1 2 286.379 1.125 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C2CC2)n(C)n1 ZINC001038316710 935740480 /nfs/dbraw/zinc/74/04/80/935740480.db2.gz WPBIOZWTKLHBRE-CYBMUJFWSA-N 1 2 286.379 1.125 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(C)C)n[nH]1 ZINC001038728627 935754574 /nfs/dbraw/zinc/75/45/74/935754574.db2.gz OYXHHIIKBYAFIH-LBPRGKRZSA-N 1 2 274.368 1.361 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C(C)C)n[nH]1 ZINC001038728627 935754576 /nfs/dbraw/zinc/75/45/76/935754576.db2.gz OYXHHIIKBYAFIH-LBPRGKRZSA-N 1 2 274.368 1.361 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(F)cc(Cl)c1 ZINC001038741354 935754616 /nfs/dbraw/zinc/75/46/16/935754616.db2.gz UUQGURIJMYAYEI-ZDUSSCGKSA-N 1 2 280.730 1.916 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)cc(Cl)c1 ZINC001038741354 935754618 /nfs/dbraw/zinc/75/46/18/935754618.db2.gz UUQGURIJMYAYEI-ZDUSSCGKSA-N 1 2 280.730 1.916 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(NC(C)=O)c1C ZINC001038916981 935761775 /nfs/dbraw/zinc/76/17/75/935761775.db2.gz KSVYAICPGQLHMG-AWEZNQCLSA-N 1 2 299.374 1.391 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(NC(C)=O)c1C ZINC001038916981 935761779 /nfs/dbraw/zinc/76/17/79/935761779.db2.gz KSVYAICPGQLHMG-AWEZNQCLSA-N 1 2 299.374 1.391 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(COC)c(F)c1 ZINC001038956893 935763909 /nfs/dbraw/zinc/76/39/09/935763909.db2.gz JENVWFWWBYGEJO-AWEZNQCLSA-N 1 2 290.338 1.409 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(COC)c(F)c1 ZINC001038956893 935763911 /nfs/dbraw/zinc/76/39/11/935763911.db2.gz JENVWFWWBYGEJO-AWEZNQCLSA-N 1 2 290.338 1.409 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CC[C@H](CC)O2)C1 ZINC001042827416 935830223 /nfs/dbraw/zinc/83/02/23/935830223.db2.gz ISQMWCOBZOTYTH-UONOGXRCSA-N 1 2 266.385 1.663 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2c3c[nH]nc3ccc2C)C1 ZINC001043171914 935834937 /nfs/dbraw/zinc/83/49/37/935834937.db2.gz UTHNWDXSXFQTNG-UHFFFAOYSA-N 1 2 284.363 1.814 20 30 CDEDLO CC#CCN1CC(N(C)C(=O)c2cccc3[nH+]ccn32)C1 ZINC001043331110 935836817 /nfs/dbraw/zinc/83/68/17/935836817.db2.gz UIZNDGCUTRGFMB-UHFFFAOYSA-N 1 2 282.347 1.114 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001043319944 935837007 /nfs/dbraw/zinc/83/70/07/935837007.db2.gz DIFHFFAWQGCFDW-LSDHHAIUSA-N 1 2 278.396 1.378 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccnc(C)c2)C1 ZINC001044072521 935850226 /nfs/dbraw/zinc/85/02/26/935850226.db2.gz MFSQBYJFTFWVOU-UHFFFAOYSA-N 1 2 259.353 1.722 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC001044234278 935855112 /nfs/dbraw/zinc/85/51/12/935855112.db2.gz ZXXLWAGKHZMKQG-CYBMUJFWSA-N 1 2 293.411 1.154 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2cc(C)n(C)c2C)C1 ZINC001044275999 935856382 /nfs/dbraw/zinc/85/63/82/935856382.db2.gz RVVKMQSDKHUUFF-UHFFFAOYSA-N 1 2 261.369 1.584 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c(F)ccnc2Cl)CC1 ZINC001238232007 945135137 /nfs/dbraw/zinc/13/51/37/945135137.db2.gz CMJBBEYUIMMQHI-UHFFFAOYSA-N 1 2 267.735 1.625 20 30 CDEDLO Cc1nc(CN2CC[NH+](CCO[C@@H](C)C#N)CC2)oc1C ZINC000801918682 936015809 /nfs/dbraw/zinc/01/58/09/936015809.db2.gz VSSBSWLAGDPOLM-LBPRGKRZSA-N 1 2 292.383 1.338 20 30 CDEDLO CC(C)[C@@H](C(=O)OCC(=O)c1cccc(C#N)c1)[NH+](C)C ZINC000803496336 936136156 /nfs/dbraw/zinc/13/61/56/936136156.db2.gz ZEVVKOLTPTWTAI-HNNXBMFYSA-N 1 2 288.347 1.870 20 30 CDEDLO C=CCCOCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097042881 936261065 /nfs/dbraw/zinc/26/10/65/936261065.db2.gz ZLOTYMIJIFYTQA-JOCQHMNTSA-N 1 2 290.367 1.437 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC(OC)C1)C2 ZINC001097289911 936290332 /nfs/dbraw/zinc/29/03/32/936290332.db2.gz JIQQXCWOFCDEJT-ZFKITPQFSA-N 1 2 298.814 1.885 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC(OC)C1)C2 ZINC001097289911 936290336 /nfs/dbraw/zinc/29/03/36/936290336.db2.gz JIQQXCWOFCDEJT-ZFKITPQFSA-N 1 2 298.814 1.885 20 30 CDEDLO COc1cc(N2CC[NH2+]C[C@@H]2C#N)nc2ccccc21 ZINC001156327552 938352311 /nfs/dbraw/zinc/35/23/11/938352311.db2.gz FQTQSJZZGSKMLV-NSHDSACASA-N 1 2 268.320 1.545 20 30 CDEDLO CCCN(CCC)c1cc(N2CC[NH2+]C[C@@H]2C#N)ncn1 ZINC001156327959 938353135 /nfs/dbraw/zinc/35/31/35/938353135.db2.gz VCLUTZWNLWTILT-ZDUSSCGKSA-N 1 2 288.399 1.405 20 30 CDEDLO N#Cc1cnc(NCc2cc[nH+]c(N)c2)c(C#N)c1 ZINC001156756520 938414919 /nfs/dbraw/zinc/41/49/19/938414919.db2.gz ZWXLHAQDACDMTD-UHFFFAOYSA-N 1 2 250.265 1.414 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1ncc(F)cc1C#N ZINC001157459848 938495364 /nfs/dbraw/zinc/49/53/64/938495364.db2.gz KKFMKNISRCBNKK-UHFFFAOYSA-N 1 2 259.288 1.815 20 30 CDEDLO O=C(NCCC[NH2+]CCC(F)(F)F)C(F)C(F)(F)F ZINC001158462537 938626028 /nfs/dbraw/zinc/62/60/28/938626028.db2.gz CXRIRYHZGOYLII-ZCFIWIBFSA-N 1 2 298.202 1.935 20 30 CDEDLO O=C(NCCC[NH2+]CCC(F)(F)F)[C@@H](F)C(F)(F)F ZINC001158462537 938626031 /nfs/dbraw/zinc/62/60/31/938626031.db2.gz CXRIRYHZGOYLII-ZCFIWIBFSA-N 1 2 298.202 1.935 20 30 CDEDLO N#Cc1cncc(NC2CN(c3cccc[nH+]3)C2)n1 ZINC001161319666 938888427 /nfs/dbraw/zinc/88/84/27/938888427.db2.gz YHTZCBUQKMOPDZ-UHFFFAOYSA-N 1 2 252.281 1.044 20 30 CDEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCC(N)=O)[nH+]1 ZINC001161841154 938935210 /nfs/dbraw/zinc/93/52/10/938935210.db2.gz YGOXBMOBPTYNPU-FALBMNKOSA-N 1 2 296.396 1.168 20 30 CDEDLO N#Cc1ccc(CNC(=O)CCn2cc[nH+]c2)s1 ZINC001162249069 938967635 /nfs/dbraw/zinc/96/76/35/938967635.db2.gz OINJXMJTGYIUHI-UHFFFAOYSA-N 1 2 260.322 1.523 20 30 CDEDLO CC(C)C[C@H](Nc1[nH+]ccc2[nH]cc(C#N)c21)C(=O)NO ZINC001163420316 939267125 /nfs/dbraw/zinc/26/71/25/939267125.db2.gz LAFAMEULTPCSOY-NSHDSACASA-N 1 2 287.323 1.767 20 30 CDEDLO COC(=O)c1c[nH]c2nc(NC(C)=CC(C)=O)[nH+]cc12 ZINC001163737065 939319573 /nfs/dbraw/zinc/31/95/73/939319573.db2.gz NTVXVKBQGJEBEO-DAXSKMNVSA-N 1 2 274.280 1.601 20 30 CDEDLO CN(Cc1ncccn1)c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001163922702 939353261 /nfs/dbraw/zinc/35/32/61/939353261.db2.gz DNDOCEPIOSPAER-UHFFFAOYSA-N 1 2 264.292 1.861 20 30 CDEDLO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[NH2+]C[C@H]1C#N ZINC001164651595 939501936 /nfs/dbraw/zinc/50/19/36/939501936.db2.gz JULMRERENGTSTH-SECBINFHSA-N 1 2 297.696 1.453 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1c1cccc(OCc2ccccc2)n1 ZINC001164651483 939502043 /nfs/dbraw/zinc/50/20/43/939502043.db2.gz JBMWRMFHWOMDLC-OAHLLOKOSA-N 1 2 294.358 1.962 20 30 CDEDLO Cc1cc(C#N)cc(N2CC([N@@H+]3CCOC(C)(C)C3)C2)n1 ZINC001165127001 939515066 /nfs/dbraw/zinc/51/50/66/939515066.db2.gz DEJHKIQNHQWEHD-UHFFFAOYSA-N 1 2 286.379 1.561 20 30 CDEDLO Cc1cc(C#N)cc(N2CC([N@H+]3CCOC(C)(C)C3)C2)n1 ZINC001165127001 939515068 /nfs/dbraw/zinc/51/50/68/939515068.db2.gz DEJHKIQNHQWEHD-UHFFFAOYSA-N 1 2 286.379 1.561 20 30 CDEDLO Cc1ccc(CC#N)c(N2CC[C@H](S(C)(=O)=O)C2)[nH+]1 ZINC001166712366 939630544 /nfs/dbraw/zinc/63/05/44/939630544.db2.gz OMVBWMRBAMXFML-LBPRGKRZSA-N 1 2 279.365 1.079 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC)C1 ZINC001205827150 939941693 /nfs/dbraw/zinc/94/16/93/939941693.db2.gz FBRMEPVOEHRVMW-MWLCHTKSSA-N 1 2 260.765 1.212 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC)C1 ZINC001205827150 939941694 /nfs/dbraw/zinc/94/16/94/939941694.db2.gz FBRMEPVOEHRVMW-MWLCHTKSSA-N 1 2 260.765 1.212 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](OCC(=O)c3ccc(C#N)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001206498950 940050352 /nfs/dbraw/zinc/05/03/52/940050352.db2.gz XRIZHRDOZOIDBL-RCKFOTBSSA-N 1 2 298.342 1.370 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](OCC(=O)c3ccc(C#N)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001206498950 940050357 /nfs/dbraw/zinc/05/03/57/940050357.db2.gz XRIZHRDOZOIDBL-RCKFOTBSSA-N 1 2 298.342 1.370 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c(F)cncc2F)CC1 ZINC001206861980 940103476 /nfs/dbraw/zinc/10/34/76/940103476.db2.gz DVPGVNODBWWNQK-UHFFFAOYSA-N 1 2 251.280 1.111 20 30 CDEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=C)Cl)C[C@H]1C ZINC001206963499 940118322 /nfs/dbraw/zinc/11/83/22/940118322.db2.gz GPSUKAYJINKODJ-RAIGVLPGSA-N 1 2 284.787 1.214 20 30 CDEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=C)Cl)C[C@H]1C ZINC001206963499 940118325 /nfs/dbraw/zinc/11/83/25/940118325.db2.gz GPSUKAYJINKODJ-RAIGVLPGSA-N 1 2 284.787 1.214 20 30 CDEDLO C=CCOC(=O)N1CC[NH+](C[C@H]2COC(C)(C)O2)CC1 ZINC001207933299 940264968 /nfs/dbraw/zinc/26/49/68/940264968.db2.gz XETSVVITLSCHFI-LBPRGKRZSA-N 1 2 284.356 1.078 20 30 CDEDLO Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)C#CC(C)C)C2)o1 ZINC001207995722 940275207 /nfs/dbraw/zinc/27/52/07/940275207.db2.gz OKGZDOFMJYIZPQ-CYBMUJFWSA-N 1 2 290.367 1.118 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnc3ccccn23)CC1 ZINC000089945539 940384510 /nfs/dbraw/zinc/38/45/10/940384510.db2.gz QGBAQIAGORJSIE-UHFFFAOYSA-N 1 2 254.337 1.085 20 30 CDEDLO O=C1C=C2C[N@@H+](CCCC3OCCO3)CC[C@H]2S1 ZINC001209301142 940457532 /nfs/dbraw/zinc/45/75/32/940457532.db2.gz IFYHVELKVDVLTR-LLVKDONJSA-N 1 2 269.366 1.414 20 30 CDEDLO O=C1C=C2C[N@H+](CCCC3OCCO3)CC[C@H]2S1 ZINC001209301142 940457534 /nfs/dbraw/zinc/45/75/34/940457534.db2.gz IFYHVELKVDVLTR-LLVKDONJSA-N 1 2 269.366 1.414 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=C)Cl)C[C@H]1C ZINC001211424767 940752956 /nfs/dbraw/zinc/75/29/56/940752956.db2.gz DZCBGFOYLTWPBR-KGYLQXTDSA-N 1 2 286.803 1.767 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=C)Cl)C[C@H]1C ZINC001211424767 940752959 /nfs/dbraw/zinc/75/29/59/940752959.db2.gz DZCBGFOYLTWPBR-KGYLQXTDSA-N 1 2 286.803 1.767 20 30 CDEDLO C#Cc1cc(Nc2c(F)cc(CO)cc2F)cc[nH+]1 ZINC001214085942 940798596 /nfs/dbraw/zinc/79/85/96/940798596.db2.gz GPRBTCLDPRKRQN-UHFFFAOYSA-N 1 2 260.243 1.999 20 30 CDEDLO C#CCCCC(=O)N1CCO[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]21 ZINC001217764604 941018792 /nfs/dbraw/zinc/01/87/92/941018792.db2.gz RNTOQJLDYFCBQF-CXSYMGSUSA-N 1 2 296.798 1.454 20 30 CDEDLO C#CCCCC(=O)N1CCO[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]21 ZINC001217764604 941018795 /nfs/dbraw/zinc/01/87/95/941018795.db2.gz RNTOQJLDYFCBQF-CXSYMGSUSA-N 1 2 296.798 1.454 20 30 CDEDLO N#Cc1cccc(C(=O)Nc2ccc(C[NH3+])cc2)c1O ZINC001219352943 941334900 /nfs/dbraw/zinc/33/49/00/941334900.db2.gz HBSWXTLQAKLEFB-UHFFFAOYSA-N 1 2 267.288 1.975 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1O ZINC001220146461 941416383 /nfs/dbraw/zinc/41/63/83/941416383.db2.gz HEJFOMWBUUMWPQ-NEPJUHHUSA-N 1 2 295.408 1.017 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1O ZINC001220146461 941416384 /nfs/dbraw/zinc/41/63/84/941416384.db2.gz HEJFOMWBUUMWPQ-NEPJUHHUSA-N 1 2 295.408 1.017 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001221718256 941546491 /nfs/dbraw/zinc/54/64/91/941546491.db2.gz IKVOKTJOKLRYQE-IIAWOOMASA-N 1 2 298.402 1.717 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001221718256 941546493 /nfs/dbraw/zinc/54/64/93/941546493.db2.gz IKVOKTJOKLRYQE-IIAWOOMASA-N 1 2 298.402 1.717 20 30 CDEDLO CCC1=C(OCCC[NH+]2CCOCC2)C(=O)[C@@H](C)O1 ZINC001224870795 941800913 /nfs/dbraw/zinc/80/09/13/941800913.db2.gz VGWWHJPNAWGZGP-LLVKDONJSA-N 1 2 269.341 1.335 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(F)c([N+](=O)[O-])c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225383896 941851190 /nfs/dbraw/zinc/85/11/90/941851190.db2.gz IMXYMSHSFMSKMX-UBYSCORNSA-N 1 2 294.282 1.725 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(F)c([N+](=O)[O-])c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225383896 941851194 /nfs/dbraw/zinc/85/11/94/941851194.db2.gz IMXYMSHSFMSKMX-UBYSCORNSA-N 1 2 294.282 1.725 20 30 CDEDLO Cc1cc(C)nc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)n1 ZINC001225643525 941893294 /nfs/dbraw/zinc/89/32/94/941893294.db2.gz FGGHGHBMZVPXJX-HALBRFILSA-N 1 2 261.325 1.085 20 30 CDEDLO Cc1cc(C)nc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)n1 ZINC001225643525 941893295 /nfs/dbraw/zinc/89/32/95/941893295.db2.gz FGGHGHBMZVPXJX-HALBRFILSA-N 1 2 261.325 1.085 20 30 CDEDLO CN(C)C(=O)[C@@H]1CC12C[NH+](Cc1cc(F)cc(C#N)c1)C2 ZINC001277126533 942000856 /nfs/dbraw/zinc/00/08/56/942000856.db2.gz IIADKABVCVCNRL-AWEZNQCLSA-N 1 2 287.338 1.607 20 30 CDEDLO C=CCCC(=O)NC1CC[NH+]([C@H](C)c2nncn2C)CC1 ZINC001226527972 942020048 /nfs/dbraw/zinc/02/00/48/942020048.db2.gz QRZWPVBXYMVVGN-GFCCVEGCSA-N 1 2 291.399 1.423 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4oc(=O)ccc4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227228606 942153019 /nfs/dbraw/zinc/15/30/19/942153019.db2.gz IAUXSKARAMUNRY-DZZGSBJMSA-N 1 2 299.326 1.784 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4oc(=O)ccc4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227228606 942153022 /nfs/dbraw/zinc/15/30/22/942153022.db2.gz IAUXSKARAMUNRY-DZZGSBJMSA-N 1 2 299.326 1.784 20 30 CDEDLO CC(C)C#CC(=O)NC1CC[NH+](Cc2ccon2)CC1 ZINC001227243869 942156565 /nfs/dbraw/zinc/15/65/65/942156565.db2.gz DRPVMGVDVPUOJI-UHFFFAOYSA-N 1 2 275.352 1.415 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncc(Cl)cc3O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227980413 942250982 /nfs/dbraw/zinc/25/09/82/942250982.db2.gz NGZCTELXMNGAMW-ADAFDVPTSA-N 1 2 282.727 1.432 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncc(Cl)cc3O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227980413 942250987 /nfs/dbraw/zinc/25/09/87/942250987.db2.gz NGZCTELXMNGAMW-ADAFDVPTSA-N 1 2 282.727 1.432 20 30 CDEDLO Cc1cccc(C#N)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001229183505 942429751 /nfs/dbraw/zinc/42/97/51/942429751.db2.gz YMNCATPWDKRUSA-NQPNPBMCSA-N 1 2 270.332 1.858 20 30 CDEDLO Cc1cccc(C#N)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001229183505 942429755 /nfs/dbraw/zinc/42/97/55/942429755.db2.gz YMNCATPWDKRUSA-NQPNPBMCSA-N 1 2 270.332 1.858 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC ZINC001230547419 942638414 /nfs/dbraw/zinc/63/84/14/942638414.db2.gz IHQKDDCQTKARHG-AWEZNQCLSA-N 1 2 295.427 1.354 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC ZINC001230547419 942638416 /nfs/dbraw/zinc/63/84/16/942638416.db2.gz IHQKDDCQTKARHG-AWEZNQCLSA-N 1 2 295.427 1.354 20 30 CDEDLO COc1cc(O)cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001230708292 942680964 /nfs/dbraw/zinc/68/09/64/942680964.db2.gz BAKDKQDBIPTESU-ABWMFPBJSA-N 1 2 277.320 1.392 20 30 CDEDLO COc1cc(O)cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001230708292 942680966 /nfs/dbraw/zinc/68/09/66/942680966.db2.gz BAKDKQDBIPTESU-ABWMFPBJSA-N 1 2 277.320 1.392 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001231411181 942880676 /nfs/dbraw/zinc/88/06/76/942880676.db2.gz ZHIRPPKUECVLGO-CAOSSQGBSA-N 1 2 290.407 1.215 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001231411181 942880678 /nfs/dbraw/zinc/88/06/78/942880678.db2.gz ZHIRPPKUECVLGO-CAOSSQGBSA-N 1 2 290.407 1.215 20 30 CDEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(OC)ncnc2OC)C1 ZINC001232517373 943314480 /nfs/dbraw/zinc/31/44/80/943314480.db2.gz KBLOSFBTTZKYLM-LLVKDONJSA-N 1 2 261.325 1.339 20 30 CDEDLO C#C[C@@H]1CCC[N@H+](Cc2c(OC)ncnc2OC)C1 ZINC001232517373 943314485 /nfs/dbraw/zinc/31/44/85/943314485.db2.gz KBLOSFBTTZKYLM-LLVKDONJSA-N 1 2 261.325 1.339 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)c1 ZINC001232678760 943358132 /nfs/dbraw/zinc/35/81/32/943358132.db2.gz OYIKYGAIJXIBPY-ZDUSSCGKSA-N 1 2 293.317 1.789 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)c1 ZINC001232678760 943358138 /nfs/dbraw/zinc/35/81/38/943358138.db2.gz OYIKYGAIJXIBPY-ZDUSSCGKSA-N 1 2 293.317 1.789 20 30 CDEDLO CC[N@H+](CCN1CCOCC1)Cc1cc(C#N)ccc1O ZINC001232677222 943359262 /nfs/dbraw/zinc/35/92/62/943359262.db2.gz CXAAPYCSNUERIS-UHFFFAOYSA-N 1 2 289.379 1.418 20 30 CDEDLO CC[N@@H+](CCN1CCOCC1)Cc1cc(C#N)ccc1O ZINC001232677222 943359267 /nfs/dbraw/zinc/35/92/67/943359267.db2.gz CXAAPYCSNUERIS-UHFFFAOYSA-N 1 2 289.379 1.418 20 30 CDEDLO N#CCCN1CC[NH+](Cc2[nH]nc3cc(F)ccc32)CC1 ZINC001233124402 943496998 /nfs/dbraw/zinc/49/69/98/943496998.db2.gz LFWSKOUJRQZELL-UHFFFAOYSA-N 1 2 287.342 1.733 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c(O)c1 ZINC001233384441 943572003 /nfs/dbraw/zinc/57/20/03/943572003.db2.gz WELKRQMDVNOMSR-HNNXBMFYSA-N 1 2 274.320 1.255 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)c(O)c1 ZINC001233384441 943572005 /nfs/dbraw/zinc/57/20/05/943572005.db2.gz WELKRQMDVNOMSR-HNNXBMFYSA-N 1 2 274.320 1.255 20 30 CDEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001233760726 943651922 /nfs/dbraw/zinc/65/19/22/943651922.db2.gz DGTCGILHQCDAQI-CYBMUJFWSA-N 1 2 254.349 1.682 20 30 CDEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001233760726 943651920 /nfs/dbraw/zinc/65/19/20/943651920.db2.gz DGTCGILHQCDAQI-CYBMUJFWSA-N 1 2 254.349 1.682 20 30 CDEDLO CC(C)Oc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cn1 ZINC001234048247 943726017 /nfs/dbraw/zinc/72/60/17/943726017.db2.gz HKUCYELDZOKCFI-NQPNPBMCSA-N 1 2 290.363 1.860 20 30 CDEDLO CC(C)Oc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cn1 ZINC001234048247 943726019 /nfs/dbraw/zinc/72/60/19/943726019.db2.gz HKUCYELDZOKCFI-NQPNPBMCSA-N 1 2 290.363 1.860 20 30 CDEDLO C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001234425354 943833748 /nfs/dbraw/zinc/83/37/48/943833748.db2.gz MJSCFQJXSUTCOT-ZJUUUORDSA-N 1 2 280.265 1.443 20 30 CDEDLO C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001234425354 943833754 /nfs/dbraw/zinc/83/37/54/943833754.db2.gz MJSCFQJXSUTCOT-ZJUUUORDSA-N 1 2 280.265 1.443 20 30 CDEDLO C[C@H](C[NH+](C)C)Oc1[nH]c(=O)nc2cccc(C#N)c21 ZINC001234511492 943873087 /nfs/dbraw/zinc/87/30/87/943873087.db2.gz QNFLTNHXIUDYHP-SECBINFHSA-N 1 2 272.308 1.536 20 30 CDEDLO CS(=O)(=O)Nc1ccccc1C[NH+]1CCC(C#N)CC1 ZINC001235130022 944065050 /nfs/dbraw/zinc/06/50/50/944065050.db2.gz GILZZXRPMFGZPL-UHFFFAOYSA-N 1 2 293.392 1.794 20 30 CDEDLO C[C@@H]1CCN(C(=O)c2ccc(C#N)n2C)C[C@@H]1n1cc[nH+]c1 ZINC001362236431 971053639 /nfs/dbraw/zinc/05/36/39/971053639.db2.gz MWIPHXZPNFDCSH-DOMZBBRYSA-N 1 2 297.362 1.817 20 30 CDEDLO C[C@]1(CO)CC[N@H+](Cc2cc(C#N)c(F)cc2F)C[C@@H]1O ZINC001237525116 944824492 /nfs/dbraw/zinc/82/44/92/944824492.db2.gz OLZFDOXFAQHVMV-LSDHHAIUSA-N 1 2 296.317 1.402 20 30 CDEDLO C[C@]1(CO)CC[N@@H+](Cc2cc(C#N)c(F)cc2F)C[C@@H]1O ZINC001237525116 944824497 /nfs/dbraw/zinc/82/44/97/944824497.db2.gz OLZFDOXFAQHVMV-LSDHHAIUSA-N 1 2 296.317 1.402 20 30 CDEDLO CCCCCCCOC(=O)NC[C@@H]([NH3+])C(=O)OCC ZINC001239323058 945413434 /nfs/dbraw/zinc/41/34/34/945413434.db2.gz AFWKEIWGNAVARV-LLVKDONJSA-N 1 2 274.361 1.573 20 30 CDEDLO C=C[C@@H](COC)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC001255012914 947690920 /nfs/dbraw/zinc/69/09/20/947690920.db2.gz BWVOHXNHUGVSIC-STQMWFEESA-N 1 2 290.367 1.161 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001255178321 947769136 /nfs/dbraw/zinc/76/91/36/947769136.db2.gz FACMROKTKRCTBS-OLZOCXBDSA-N 1 2 251.374 1.915 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001255178321 947769142 /nfs/dbraw/zinc/76/91/42/947769142.db2.gz FACMROKTKRCTBS-OLZOCXBDSA-N 1 2 251.374 1.915 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+]C1CCC(OC)CC1 ZINC001255443499 947901647 /nfs/dbraw/zinc/90/16/47/947901647.db2.gz WCAQRJXHEKDJMG-ILDUYXDCSA-N 1 2 261.387 1.395 20 30 CDEDLO C=C1C[C@@H]2CC([NH2+][C@@H](CO)C(=O)OCC)C[C@H](C1)C2 ZINC001257886833 948653779 /nfs/dbraw/zinc/65/37/79/948653779.db2.gz NAXHAUWFIXHAOR-PIGZVRMJSA-N 1 2 267.369 1.635 20 30 CDEDLO C=CCCNC(=S)N1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001247627733 948687327 /nfs/dbraw/zinc/68/73/27/948687327.db2.gz NASHUPFEZPLYIM-UHFFFAOYSA-N 1 2 289.395 1.852 20 30 CDEDLO COc1ccc(CC[C@@H](C)N2CC[NH2+]C[C@@H]2C#N)cc1 ZINC001258402523 948830456 /nfs/dbraw/zinc/83/04/56/948830456.db2.gz YCLCEVIXEJKXTN-HIFRSBDPSA-N 1 2 273.380 1.814 20 30 CDEDLO CO[C@H](C)[C@H]([NH3+])c1nc(-c2ccc(C#N)cn2)no1 ZINC001247961752 948895806 /nfs/dbraw/zinc/89/58/06/948895806.db2.gz UGUXPNTYTNEGJB-XCBNKYQSSA-N 1 2 259.269 1.038 20 30 CDEDLO C[N@H+](Cc1cnn2ccc(C#N)cc12)Cc1ccncn1 ZINC001249125688 949406165 /nfs/dbraw/zinc/40/61/65/949406165.db2.gz ZOGASKYRMMCRNC-UHFFFAOYSA-N 1 2 278.319 1.628 20 30 CDEDLO C[N@@H+](Cc1cnn2ccc(C#N)cc12)Cc1ccncn1 ZINC001249125688 949406179 /nfs/dbraw/zinc/40/61/79/949406179.db2.gz ZOGASKYRMMCRNC-UHFFFAOYSA-N 1 2 278.319 1.628 20 30 CDEDLO N#Cc1ccc2cc(C[N@H+]3C[C@@H](F)C[C@H]3CO)[nH]c2c1 ZINC001249426040 949595462 /nfs/dbraw/zinc/59/54/62/949595462.db2.gz CBSQJISENUCTOQ-JSGCOSHPSA-N 1 2 273.311 1.944 20 30 CDEDLO N#Cc1ccc2cc(C[N@@H+]3C[C@@H](F)C[C@H]3CO)[nH]c2c1 ZINC001249426040 949595474 /nfs/dbraw/zinc/59/54/74/949595474.db2.gz CBSQJISENUCTOQ-JSGCOSHPSA-N 1 2 273.311 1.944 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(OCC)ncc2Cl)CC1 ZINC001250319092 950102171 /nfs/dbraw/zinc/10/21/71/950102171.db2.gz NRMBGEMBCSMZMN-UHFFFAOYSA-N 1 2 293.798 1.885 20 30 CDEDLO C=CCOC[C@H](O)C[NH2+]C1(c2ccccc2Cl)COC1 ZINC001252495532 951368122 /nfs/dbraw/zinc/36/81/22/951368122.db2.gz PNRSXLMVAUCDEW-GFCCVEGCSA-N 1 2 297.782 1.719 20 30 CDEDLO C=CCC[C@H](O)C[NH2+]C1(c2ccccc2F)COC1 ZINC001252615601 951508987 /nfs/dbraw/zinc/50/89/87/951508987.db2.gz AWJJIPZQGIRZGZ-LBPRGKRZSA-N 1 2 265.328 1.968 20 30 CDEDLO N#CCC[N@H+](Cc1cccnc1)CC1(O)CCOCC1 ZINC001252959068 951716868 /nfs/dbraw/zinc/71/68/68/951716868.db2.gz ZLRLNUWBVGWNOY-UHFFFAOYSA-N 1 2 275.352 1.339 20 30 CDEDLO N#CCC[N@@H+](Cc1cccnc1)CC1(O)CCOCC1 ZINC001252959068 951716877 /nfs/dbraw/zinc/71/68/77/951716877.db2.gz ZLRLNUWBVGWNOY-UHFFFAOYSA-N 1 2 275.352 1.339 20 30 CDEDLO C=CCCCCCC[C@H](O)C[N@@H+](C)CC(=O)OC ZINC001253241083 951822701 /nfs/dbraw/zinc/82/27/01/951822701.db2.gz RPPURPKLDWWCID-ZDUSSCGKSA-N 1 2 257.374 1.979 20 30 CDEDLO C=CCCCCCC[C@H](O)C[N@H+](C)CC(=O)OC ZINC001253241083 951822703 /nfs/dbraw/zinc/82/27/03/951822703.db2.gz RPPURPKLDWWCID-ZDUSSCGKSA-N 1 2 257.374 1.979 20 30 CDEDLO C=C[C@@H](O)C[NH2+][C@@H](CC(C)C)C(=O)OC(C)(C)C ZINC001253600024 951987126 /nfs/dbraw/zinc/98/71/26/951987126.db2.gz BSMVMVBJWAWZSG-NEPJUHHUSA-N 1 2 257.374 1.879 20 30 CDEDLO C[N@H+](Cc1cn(CC[C@@H]2CO2)nn1)Cc1ccccc1 ZINC001254073711 952182532 /nfs/dbraw/zinc/18/25/32/952182532.db2.gz IITPAOLUUIZJGZ-OAHLLOKOSA-N 1 2 272.352 1.699 20 30 CDEDLO C[N@@H+](Cc1cn(CC[C@@H]2CO2)nn1)Cc1ccccc1 ZINC001254073711 952182538 /nfs/dbraw/zinc/18/25/38/952182538.db2.gz IITPAOLUUIZJGZ-OAHLLOKOSA-N 1 2 272.352 1.699 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC[N@H+](C)Cc1cc(F)ccc1F ZINC001492216904 955718714 /nfs/dbraw/zinc/71/87/14/955718714.db2.gz HMADYEKEZREMIF-JTQLQIEISA-N 1 2 281.306 1.672 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](C)Cc1cc(F)ccc1F ZINC001492216904 955718720 /nfs/dbraw/zinc/71/87/20/955718720.db2.gz HMADYEKEZREMIF-JTQLQIEISA-N 1 2 281.306 1.672 20 30 CDEDLO N#Cc1ccc(F)c(NC(=O)NCc2ccc[nH+]c2N)c1 ZINC001365507694 956103639 /nfs/dbraw/zinc/10/36/39/956103639.db2.gz GZQCIBVTBJYCGN-UHFFFAOYSA-N 1 2 285.282 1.996 20 30 CDEDLO Cc1cnc(C[NH+]2CCC(C)(NC(=O)[C@H](C)C#N)CC2)o1 ZINC001423502762 956816262 /nfs/dbraw/zinc/81/62/62/956816262.db2.gz HLPCECPWMCORJB-LLVKDONJSA-N 1 2 290.367 1.613 20 30 CDEDLO CO[C@H](C[NH+]1CC(NC(=O)[C@@H](C)C#N)C1)c1ccccc1 ZINC001494360263 972217003 /nfs/dbraw/zinc/21/70/03/972217003.db2.gz ZASYFGDPGLHGIV-SWLSCSKDSA-N 1 2 287.363 1.334 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3oc(=O)[nH]c3c2)CC1 ZINC001313445264 956862187 /nfs/dbraw/zinc/86/21/87/956862187.db2.gz MAJPDCWNVJUDAS-UHFFFAOYSA-N 1 2 287.319 1.477 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC2(O)CCC2)C1 ZINC001366898194 957255827 /nfs/dbraw/zinc/25/58/27/957255827.db2.gz NRXQXKIBDSXCJM-LBPRGKRZSA-N 1 2 286.803 1.625 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC2(O)CCC2)C1 ZINC001366898194 957255834 /nfs/dbraw/zinc/25/58/34/957255834.db2.gz NRXQXKIBDSXCJM-LBPRGKRZSA-N 1 2 286.803 1.625 20 30 CDEDLO CC(F)(F)C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001367994964 958560552 /nfs/dbraw/zinc/56/05/52/958560552.db2.gz WVUNKRGCOPTUST-ZDUSSCGKSA-N 1 2 293.317 1.904 20 30 CDEDLO CC(F)(F)C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001367994964 958560561 /nfs/dbraw/zinc/56/05/61/958560561.db2.gz WVUNKRGCOPTUST-ZDUSSCGKSA-N 1 2 293.317 1.904 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1nnc(-c2ccccc2)o1 ZINC001319552463 958629122 /nfs/dbraw/zinc/62/91/22/958629122.db2.gz LGIYNINUTWMZAY-UHFFFAOYSA-N 1 2 271.320 1.818 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1nnc(-c2ccccc2)o1 ZINC001319552463 958629132 /nfs/dbraw/zinc/62/91/32/958629132.db2.gz LGIYNINUTWMZAY-UHFFFAOYSA-N 1 2 271.320 1.818 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccnc(C)n1 ZINC001369000880 959393356 /nfs/dbraw/zinc/39/33/56/959393356.db2.gz MGSGMCMLZDTLFW-SNVBAGLBSA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccnc(C)n1 ZINC001369000880 959393371 /nfs/dbraw/zinc/39/33/71/959393371.db2.gz MGSGMCMLZDTLFW-SNVBAGLBSA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2ncc[nH]2)C1 ZINC001369097420 959459090 /nfs/dbraw/zinc/45/90/90/959459090.db2.gz ITHAILKRKCWYTG-JTQLQIEISA-N 1 2 282.775 1.141 20 30 CDEDLO N#C[C@@H]1CCCN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC001337027963 960867865 /nfs/dbraw/zinc/86/78/65/960867865.db2.gz IIRPUZWAMKTYIO-NSHDSACASA-N 1 2 297.318 1.035 20 30 CDEDLO N#CC1(CC(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001418997100 961244572 /nfs/dbraw/zinc/24/45/72/961244572.db2.gz ITKXBYLLBRUZNH-ZDUSSCGKSA-N 1 2 290.367 1.293 20 30 CDEDLO N#CC1(CC(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001418997100 961244593 /nfs/dbraw/zinc/24/45/93/961244593.db2.gz ITKXBYLLBRUZNH-ZDUSSCGKSA-N 1 2 290.367 1.293 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CC[C@H](C)OC)C1 ZINC001419017809 961274498 /nfs/dbraw/zinc/27/44/98/961274498.db2.gz QQPQJJTZSIGQQN-NSHDSACASA-N 1 2 274.792 1.602 20 30 CDEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)OC ZINC001339484962 962382026 /nfs/dbraw/zinc/38/20/26/962382026.db2.gz IYBADGJDVYHHMZ-GFCCVEGCSA-N 1 2 295.387 1.243 20 30 CDEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)OC ZINC001339484962 962382044 /nfs/dbraw/zinc/38/20/44/962382044.db2.gz IYBADGJDVYHHMZ-GFCCVEGCSA-N 1 2 295.387 1.243 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1oc(C)nc1C ZINC001437446271 962908216 /nfs/dbraw/zinc/90/82/16/962908216.db2.gz CKUKTYAHEBPFKO-UHFFFAOYSA-N 1 2 271.748 1.706 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1oc(C)nc1C ZINC001437446271 962908224 /nfs/dbraw/zinc/90/82/24/962908224.db2.gz CKUKTYAHEBPFKO-UHFFFAOYSA-N 1 2 271.748 1.706 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc2n(n1)CCO2 ZINC001437599747 963058477 /nfs/dbraw/zinc/05/84/77/963058477.db2.gz XFJVUPYGJCXEJB-UHFFFAOYSA-N 1 2 298.774 1.080 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc2n(n1)CCO2 ZINC001437599747 963058481 /nfs/dbraw/zinc/05/84/81/963058481.db2.gz XFJVUPYGJCXEJB-UHFFFAOYSA-N 1 2 298.774 1.080 20 30 CDEDLO Cc1cnc([C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N)o1 ZINC001438865721 963580456 /nfs/dbraw/zinc/58/04/56/963580456.db2.gz OJTYYWGDBJUHLZ-JQWIXIFHSA-N 1 2 278.356 1.594 20 30 CDEDLO Cc1cnc([C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N)o1 ZINC001438865721 963580460 /nfs/dbraw/zinc/58/04/60/963580460.db2.gz OJTYYWGDBJUHLZ-JQWIXIFHSA-N 1 2 278.356 1.594 20 30 CDEDLO N#CCCCC(=O)OCCc1cn2c([nH+]1)CCCC2 ZINC001346112522 964932716 /nfs/dbraw/zinc/93/27/16/964932716.db2.gz TUZMONHKKUWZFL-UHFFFAOYSA-N 1 2 261.325 1.999 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001444964930 966025275 /nfs/dbraw/zinc/02/52/75/966025275.db2.gz KSAKDRPXYSRHFB-UHFFFAOYSA-N 1 2 280.759 1.643 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001444964930 966025284 /nfs/dbraw/zinc/02/52/84/966025284.db2.gz KSAKDRPXYSRHFB-UHFFFAOYSA-N 1 2 280.759 1.643 20 30 CDEDLO Cc1noc(C[NH2+]CCC(=O)Nc2cccc(C#N)c2)n1 ZINC001348958014 966237539 /nfs/dbraw/zinc/23/75/39/966237539.db2.gz OBLKZABBYZCLMQ-UHFFFAOYSA-N 1 2 285.307 1.368 20 30 CDEDLO CCNc1cc(CNC(=O)N2CCC(C#N)CC2)cc[nH+]1 ZINC001548659448 967703559 /nfs/dbraw/zinc/70/35/59/967703559.db2.gz LAFYUGWBAQUPJN-UHFFFAOYSA-N 1 2 287.367 1.959 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001100275830 967867241 /nfs/dbraw/zinc/86/72/41/967867241.db2.gz ITIWKCAIQQKEDJ-LBPRGKRZSA-N 1 2 276.384 1.940 20 30 CDEDLO C=C1CC(C)(C(=O)NCCN(C)c2cc[nH+]c(C)n2)C1 ZINC001100323068 968014270 /nfs/dbraw/zinc/01/42/70/968014270.db2.gz FBYOZAHRZWWAQP-UHFFFAOYSA-N 1 2 274.368 1.694 20 30 CDEDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc(C#N)n2C)c1 ZINC001546133595 969713534 /nfs/dbraw/zinc/71/35/34/969713534.db2.gz UAAOZZSNDMGZDY-UHFFFAOYSA-N 1 2 269.308 1.610 20 30 CDEDLO Cn1c[nH+]cc1CCCOC(=O)c1cccc(C#N)n1 ZINC001519059851 970060787 /nfs/dbraw/zinc/06/07/87/970060787.db2.gz HFGOZIQBHKGSEL-UHFFFAOYSA-N 1 2 270.292 1.476 20 30 CDEDLO COc1cc(C#N)ccc1C(=O)Nc1cc[nH+]c(C)c1 ZINC001521202688 970268834 /nfs/dbraw/zinc/26/88/34/970268834.db2.gz KMOOTYXYPPOMPN-UHFFFAOYSA-N 1 2 267.288 1.945 20 30 CDEDLO C=C(CC)C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC001521569813 970319388 /nfs/dbraw/zinc/31/93/88/970319388.db2.gz WBYBZQLHXCSPGV-GFCCVEGCSA-N 1 2 277.368 1.124 20 30 CDEDLO Cn1c(C#N)ccc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001361957802 970713867 /nfs/dbraw/zinc/71/38/67/970713867.db2.gz BMRBZDHYQWSVII-UHFFFAOYSA-N 1 2 283.335 1.571 20 30 CDEDLO C[C@H](C#N)C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001371924968 972693054 /nfs/dbraw/zinc/69/30/54/972693054.db2.gz FLXFVICDRWRLGR-LLVKDONJSA-N 1 2 288.326 1.405 20 30 CDEDLO C[C@H](C#N)C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001371924968 972693058 /nfs/dbraw/zinc/69/30/58/972693058.db2.gz FLXFVICDRWRLGR-LLVKDONJSA-N 1 2 288.326 1.405 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@](C)(O)C2CC2)C1 ZINC001373504343 973472264 /nfs/dbraw/zinc/47/22/64/973472264.db2.gz VFZPFMGHYNKGBL-AWEZNQCLSA-N 1 2 286.803 1.338 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C(C)(C)CCOC)C1 ZINC001373543781 973484001 /nfs/dbraw/zinc/48/40/01/973484001.db2.gz MJRUTQWTJWLEEO-UHFFFAOYSA-N 1 2 288.819 1.850 20 30 CDEDLO COc1cc(C[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N)sn1 ZINC001401357046 975609128 /nfs/dbraw/zinc/60/91/28/975609128.db2.gz GANAIEFVRXSAFV-JTQLQIEISA-N 1 2 296.396 1.202 20 30 CDEDLO COc1cc(C[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N)sn1 ZINC001401357046 975609134 /nfs/dbraw/zinc/60/91/34/975609134.db2.gz GANAIEFVRXSAFV-JTQLQIEISA-N 1 2 296.396 1.202 20 30 CDEDLO C=CC(C)(C)CC(=O)O[C@@H](COC)C[N@@H+]1CCO[C@H](C)C1 ZINC001514933144 976377829 /nfs/dbraw/zinc/37/78/29/976377829.db2.gz YCAFPKZUGNWATH-ZIAGYGMSSA-N 1 2 299.411 1.868 20 30 CDEDLO C=CC(C)(C)CC(=O)O[C@@H](COC)C[N@H+]1CCO[C@H](C)C1 ZINC001514933144 976377841 /nfs/dbraw/zinc/37/78/41/976377841.db2.gz YCAFPKZUGNWATH-ZIAGYGMSSA-N 1 2 299.411 1.868 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnc2n1CCC2 ZINC001381536230 976896646 /nfs/dbraw/zinc/89/66/46/976896646.db2.gz ODPBASFGONIMNR-NSHDSACASA-N 1 2 296.802 1.632 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnc2n1CCC2 ZINC001381536230 976896653 /nfs/dbraw/zinc/89/66/53/976896653.db2.gz ODPBASFGONIMNR-NSHDSACASA-N 1 2 296.802 1.632 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC(C)(C)O)[C@H]1C ZINC001382326687 977252076 /nfs/dbraw/zinc/25/20/76/977252076.db2.gz CINGYPPVGWUJHF-VXGBXAGGSA-N 1 2 288.819 1.869 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC(C)(C)O)[C@H]1C ZINC001382326687 977252086 /nfs/dbraw/zinc/25/20/86/977252086.db2.gz CINGYPPVGWUJHF-VXGBXAGGSA-N 1 2 288.819 1.869 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1cncn1C ZINC001392720329 977569008 /nfs/dbraw/zinc/56/90/08/977569008.db2.gz XWHDULGACCOXSZ-GFCCVEGCSA-N 1 2 298.818 1.542 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCc1cncn1C ZINC001392720329 977569013 /nfs/dbraw/zinc/56/90/13/977569013.db2.gz XWHDULGACCOXSZ-GFCCVEGCSA-N 1 2 298.818 1.542 20 30 CDEDLO C#CCCCCCC(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001132404296 1163270152 /nfs/dbraw/zinc/27/01/52/1163270152.db2.gz ZLYYBRDRMCZOPN-UHFFFAOYSA-N 1 2 292.383 1.422 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001132391460 1163274283 /nfs/dbraw/zinc/27/42/83/1163274283.db2.gz JTNMFFCBAQXEFB-NSHDSACASA-N 1 2 265.357 1.962 20 30 CDEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1cnsn1 ZINC001132569776 1163377956 /nfs/dbraw/zinc/37/79/56/1163377956.db2.gz YNOORPWXQHWWBB-NXEZZACHSA-N 1 2 268.386 1.202 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001133380420 1163663960 /nfs/dbraw/zinc/66/39/60/1163663960.db2.gz FQDVAHMPIHOKJL-GXFFZTMASA-N 1 2 282.413 1.907 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[NH2+]Cc2ncccn2)C1 ZINC001133569834 1163790500 /nfs/dbraw/zinc/79/05/00/1163790500.db2.gz FGRAEYYWGZACJY-UHFFFAOYSA-N 1 2 260.341 1.039 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccc(F)cc1 ZINC000589826988 342514836 /nfs/dbraw/zinc/51/48/36/342514836.db2.gz VBTPWIWYXCILQZ-AWEZNQCLSA-N 1 2 263.316 1.328 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccn(-c2ccccc2)n1 ZINC000589827815 342514920 /nfs/dbraw/zinc/51/49/20/342514920.db2.gz MTTKJYNHDHKEAJ-INIZCTEOSA-N 1 2 297.362 1.446 20 30 CDEDLO N#C[C@@]1(F)CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000619445374 342515012 /nfs/dbraw/zinc/51/50/12/342515012.db2.gz WZNCEOJLOYRGMB-ZFWWWQNUSA-N 1 2 295.358 1.094 20 30 CDEDLO N#C[C@@]1(F)CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000619445374 342515013 /nfs/dbraw/zinc/51/50/13/342515013.db2.gz WZNCEOJLOYRGMB-ZFWWWQNUSA-N 1 2 295.358 1.094 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCn2c[nH+]cc2C1 ZINC000590599068 342579731 /nfs/dbraw/zinc/57/97/31/342579731.db2.gz GIKYNKKTFZTFCY-LBPRGKRZSA-N 1 2 295.346 1.598 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@H]2C2CCCCC2)C1 ZINC000329691483 361811327 /nfs/dbraw/zinc/81/13/27/361811327.db2.gz DLCIXCIFEZEERE-QLFBSQMISA-N 1 2 295.427 1.789 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@H]2C2CCCCC2)C1 ZINC000329691483 361811331 /nfs/dbraw/zinc/81/13/31/361811331.db2.gz DLCIXCIFEZEERE-QLFBSQMISA-N 1 2 295.427 1.789 20 30 CDEDLO CCn1nnc(C)c1C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000590709398 342585198 /nfs/dbraw/zinc/58/51/98/342585198.db2.gz RBLGPSUMXBRVHK-CQSZACIVSA-N 1 2 290.415 1.272 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CCCO1 ZINC000329696252 361817864 /nfs/dbraw/zinc/81/78/64/361817864.db2.gz BTAHYADNGCGVSB-MNOVXSKESA-N 1 2 278.356 1.292 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CCCO1 ZINC000329696252 361817869 /nfs/dbraw/zinc/81/78/69/361817869.db2.gz BTAHYADNGCGVSB-MNOVXSKESA-N 1 2 278.356 1.292 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000590630933 342580521 /nfs/dbraw/zinc/58/05/21/342580521.db2.gz NLZSZUISCUWKJE-CZUORRHYSA-N 1 2 291.395 1.297 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000590630933 342580522 /nfs/dbraw/zinc/58/05/22/342580522.db2.gz NLZSZUISCUWKJE-CZUORRHYSA-N 1 2 291.395 1.297 20 30 CDEDLO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)CC#N)cc1 ZINC000609030781 342087557 /nfs/dbraw/zinc/08/75/57/342087557.db2.gz JXAVGUVEPHTSQT-NSHDSACASA-N 1 2 261.325 1.916 20 30 CDEDLO CC(C)(CCC#N)CNc1[nH+]cnc2c1OCCN2 ZINC000591162700 342620479 /nfs/dbraw/zinc/62/04/79/342620479.db2.gz WLCISGIYWAOEFS-UHFFFAOYSA-N 1 2 261.329 1.445 20 30 CDEDLO CC(C)(CCC#N)CNc1nc[nH+]c2c1OCCN2 ZINC000591162700 342620480 /nfs/dbraw/zinc/62/04/80/342620480.db2.gz WLCISGIYWAOEFS-UHFFFAOYSA-N 1 2 261.329 1.445 20 30 CDEDLO Cc1cc(N2CC[C@@H](C)S(=O)(=O)CC2)c(C#N)c[nH+]1 ZINC000591824446 342647724 /nfs/dbraw/zinc/64/77/24/342647724.db2.gz UXIITUPDCICXIU-LLVKDONJSA-N 1 2 279.365 1.275 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1coc(=O)c2ccccc12 ZINC000593153264 342773880 /nfs/dbraw/zinc/77/38/80/342773880.db2.gz ISTDYXLLFCFTEU-INIZCTEOSA-N 1 2 299.330 1.367 20 30 CDEDLO CSc1cccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)n1 ZINC000593153516 342774099 /nfs/dbraw/zinc/77/40/99/342774099.db2.gz SNSVFIGERKADPT-CYBMUJFWSA-N 1 2 278.381 1.377 20 30 CDEDLO CC[C@H](C#N)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000593483387 342801498 /nfs/dbraw/zinc/80/14/98/342801498.db2.gz YAMQJMVGSIAEQA-GFCCVEGCSA-N 1 2 282.347 1.735 20 30 CDEDLO CC[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)[C@@H](CC)CO1 ZINC000593660757 342819647 /nfs/dbraw/zinc/81/96/47/342819647.db2.gz FDUYRRABGPRVOS-LSDHHAIUSA-N 1 2 299.378 1.990 20 30 CDEDLO CC[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)[C@@H](CC)CO1 ZINC000593660757 342819649 /nfs/dbraw/zinc/81/96/49/342819649.db2.gz FDUYRRABGPRVOS-LSDHHAIUSA-N 1 2 299.378 1.990 20 30 CDEDLO N#Cc1ccc(CCNC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000594685249 342941173 /nfs/dbraw/zinc/94/11/73/342941173.db2.gz GKENNKZIYCGLLV-UHFFFAOYSA-N 1 2 297.362 1.687 20 30 CDEDLO CCc1cc(N)nc(SCC(=O)NC2(C#N)CCC2)[nH+]1 ZINC000331875636 529503628 /nfs/dbraw/zinc/50/36/28/529503628.db2.gz MSRCAXIPOVJXSK-UHFFFAOYSA-N 1 2 291.380 1.106 20 30 CDEDLO CNC(=O)[C@@]1(C)CC[N@@H+]([C@H](C#N)c2ccccc2)C1 ZINC000595474488 343063976 /nfs/dbraw/zinc/06/39/76/343063976.db2.gz LYFNVWFYORVOJY-HIFRSBDPSA-N 1 2 257.337 1.709 20 30 CDEDLO CNC(=O)[C@@]1(C)CC[N@H+]([C@H](C#N)c2ccccc2)C1 ZINC000595474488 343063977 /nfs/dbraw/zinc/06/39/77/343063977.db2.gz LYFNVWFYORVOJY-HIFRSBDPSA-N 1 2 257.337 1.709 20 30 CDEDLO C[C@]1(O)CCCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329746572 362038851 /nfs/dbraw/zinc/03/88/51/362038851.db2.gz RUIHCXXFAHVVOB-HZMBPMFUSA-N 1 2 278.356 1.028 20 30 CDEDLO C[C@]1(O)CCCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329746572 362038855 /nfs/dbraw/zinc/03/88/55/362038855.db2.gz RUIHCXXFAHVVOB-HZMBPMFUSA-N 1 2 278.356 1.028 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)Cc1c[nH+]c[nH]1 ZINC000595597425 343114799 /nfs/dbraw/zinc/11/47/99/343114799.db2.gz PWELSKMDBDJZFR-SMDDNHRTSA-N 1 2 277.372 1.284 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595809528 343159869 /nfs/dbraw/zinc/15/98/69/343159869.db2.gz GTDSVFFRSNVZLP-MWLCHTKSSA-N 1 2 261.350 1.900 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595809528 343159870 /nfs/dbraw/zinc/15/98/70/343159870.db2.gz GTDSVFFRSNVZLP-MWLCHTKSSA-N 1 2 261.350 1.900 20 30 CDEDLO COC(=O)c1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)nc1 ZINC000595840767 343172327 /nfs/dbraw/zinc/17/23/27/343172327.db2.gz DWEQUYCQBWIJPO-CQSZACIVSA-N 1 2 259.309 1.604 20 30 CDEDLO COC(=O)c1ccc(C[N@H+]2CC[C@](C)(C#N)C2)nc1 ZINC000595840767 343172329 /nfs/dbraw/zinc/17/23/29/343172329.db2.gz DWEQUYCQBWIJPO-CQSZACIVSA-N 1 2 259.309 1.604 20 30 CDEDLO N#CC[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000596328944 343304318 /nfs/dbraw/zinc/30/43/18/343304318.db2.gz BDTRHBADJYTOJK-ZDUSSCGKSA-N 1 2 287.367 1.443 20 30 CDEDLO N#CC[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000596328944 343304319 /nfs/dbraw/zinc/30/43/19/343304319.db2.gz BDTRHBADJYTOJK-ZDUSSCGKSA-N 1 2 287.367 1.443 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C1CC2(CC2)C1 ZINC000597020068 343437108 /nfs/dbraw/zinc/43/71/08/343437108.db2.gz DWJCEBVHWSVIFX-UHFFFAOYSA-N 1 2 291.395 1.251 20 30 CDEDLO N#CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CCCC1 ZINC000597276297 343496447 /nfs/dbraw/zinc/49/64/47/343496447.db2.gz GUYYHMQIDYSAEK-LBPRGKRZSA-N 1 2 272.352 1.740 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](C#N)C(C)(C)C ZINC000597351418 343510018 /nfs/dbraw/zinc/51/00/18/343510018.db2.gz QMSOZCVOVPSMHU-FOGDFJRCSA-N 1 2 260.341 1.578 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000619721367 349871468 /nfs/dbraw/zinc/87/14/68/349871468.db2.gz HNZIDMWXXFRBJU-OLZOCXBDSA-N 1 2 283.368 1.768 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000619721367 349871473 /nfs/dbraw/zinc/87/14/73/349871473.db2.gz HNZIDMWXXFRBJU-OLZOCXBDSA-N 1 2 283.368 1.768 20 30 CDEDLO C[C@@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1[nH+]ccn1C ZINC000598460961 343805432 /nfs/dbraw/zinc/80/54/32/343805432.db2.gz YBBNHTZOQMHTBB-NEPJUHHUSA-N 1 2 298.346 1.936 20 30 CDEDLO Cc1cn2ccc(NC(=O)C3(C#N)CCOCC3)cc2[nH+]1 ZINC000598468310 343808627 /nfs/dbraw/zinc/80/86/27/343808627.db2.gz GSYYRQRCDFEWQO-UHFFFAOYSA-N 1 2 284.319 1.902 20 30 CDEDLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@H](O)CC(C)(C)C#N ZINC000598590220 343836492 /nfs/dbraw/zinc/83/64/92/343836492.db2.gz MSZBHJMWJREXNN-LLVKDONJSA-N 1 2 270.373 1.561 20 30 CDEDLO C[N@H+](CC(=O)OC(C)(C)C)C[C@H](O)CC(C)(C)C#N ZINC000598590220 343836495 /nfs/dbraw/zinc/83/64/95/343836495.db2.gz MSZBHJMWJREXNN-LLVKDONJSA-N 1 2 270.373 1.561 20 30 CDEDLO CCC(CC)([NH2+]C[C@H](O)CC(C)(C)C#N)C(=O)OC ZINC000598611177 343841615 /nfs/dbraw/zinc/84/16/15/343841615.db2.gz GOOZYNBVIXHVQL-LLVKDONJSA-N 1 2 270.373 1.609 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000598618356 343844169 /nfs/dbraw/zinc/84/41/69/343844169.db2.gz WQKWNCJEOYTECJ-MNOVXSKESA-N 1 2 293.371 1.338 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000598618356 343844170 /nfs/dbraw/zinc/84/41/70/343844170.db2.gz WQKWNCJEOYTECJ-MNOVXSKESA-N 1 2 293.371 1.338 20 30 CDEDLO CCOCc1nc([C@H](C)[NH2+]C[C@H](O)CC(C)(C)C#N)no1 ZINC000598727114 343886415 /nfs/dbraw/zinc/88/64/15/343886415.db2.gz CLLVHGKBXMAKOA-WDEREUQCSA-N 1 2 296.371 1.557 20 30 CDEDLO COCC[N@H+](C)Cc1cn(Cc2cccc(C#N)c2)nn1 ZINC000600972346 349897857 /nfs/dbraw/zinc/89/78/57/349897857.db2.gz GYSKNOACEIKFLL-UHFFFAOYSA-N 1 2 285.351 1.276 20 30 CDEDLO COCC[N@@H+](C)Cc1cn(Cc2cccc(C#N)c2)nn1 ZINC000600972346 349897862 /nfs/dbraw/zinc/89/78/62/349897862.db2.gz GYSKNOACEIKFLL-UHFFFAOYSA-N 1 2 285.351 1.276 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000569682281 362330032 /nfs/dbraw/zinc/33/00/32/362330032.db2.gz KIMZRGNFFPLVDB-CYBMUJFWSA-N 1 2 287.363 1.629 20 30 CDEDLO COc1cccc2c1C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C2 ZINC000599642955 344111837 /nfs/dbraw/zinc/11/18/37/344111837.db2.gz DKVTVHUVMGTNHB-LBPRGKRZSA-N 1 2 287.363 1.771 20 30 CDEDLO COc1cccc2c1C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C2 ZINC000599642955 344111838 /nfs/dbraw/zinc/11/18/38/344111838.db2.gz DKVTVHUVMGTNHB-LBPRGKRZSA-N 1 2 287.363 1.771 20 30 CDEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCc3[nH]c[nH+]c3C2)c1 ZINC000599951562 344156447 /nfs/dbraw/zinc/15/64/47/344156447.db2.gz FQPQIDRFAPCCHR-UONOGXRCSA-N 1 2 292.342 1.970 20 30 CDEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCc3[nH+]c[nH]c3C2)c1 ZINC000599951562 344156449 /nfs/dbraw/zinc/15/64/49/344156449.db2.gz FQPQIDRFAPCCHR-UONOGXRCSA-N 1 2 292.342 1.970 20 30 CDEDLO N#CCc1ccccc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000601585095 344199064 /nfs/dbraw/zinc/19/90/64/344199064.db2.gz GHALODSNAMRBCI-UHFFFAOYSA-N 1 2 266.304 1.674 20 30 CDEDLO N#CCc1ccccc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000601585095 344199065 /nfs/dbraw/zinc/19/90/65/344199065.db2.gz GHALODSNAMRBCI-UHFFFAOYSA-N 1 2 266.304 1.674 20 30 CDEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(O)CC2)C1=O ZINC000083128321 344441382 /nfs/dbraw/zinc/44/13/82/344441382.db2.gz VXAXJISUOFLDRN-LBPRGKRZSA-N 1 2 291.376 1.182 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612131653 347051692 /nfs/dbraw/zinc/05/16/92/347051692.db2.gz ALSQZNLRIQCELD-CYBMUJFWSA-N 1 2 261.329 1.255 20 30 CDEDLO COC(=O)[C@@H]1CC[N@H+](C[C@@H](C)CCC#N)[C@H](C(=O)OC)C1 ZINC000602601626 344505802 /nfs/dbraw/zinc/50/58/02/344505802.db2.gz AEDQEKREUYPZBZ-XQQFMLRXSA-N 1 2 296.367 1.353 20 30 CDEDLO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](C)CCC#N)[C@H](C(=O)OC)C1 ZINC000602601626 344505803 /nfs/dbraw/zinc/50/58/03/344505803.db2.gz AEDQEKREUYPZBZ-XQQFMLRXSA-N 1 2 296.367 1.353 20 30 CDEDLO C=CCC[C@H]([NH2+][C@@H](C)Cc1cnccn1)C(=O)OCC ZINC000602683811 344529657 /nfs/dbraw/zinc/52/96/57/344529657.db2.gz WCQFZWAIBNAVIY-JSGCOSHPSA-N 1 2 277.368 1.895 20 30 CDEDLO CC(C)(C)c1n[nH]cc1C[NH+]1CCN(CCC#N)CC1 ZINC000602748867 344562845 /nfs/dbraw/zinc/56/28/45/344562845.db2.gz UBEHSIHAWKTBRP-UHFFFAOYSA-N 1 2 275.400 1.738 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)NCc1ccccc1F ZINC000602861296 344616640 /nfs/dbraw/zinc/61/66/40/344616640.db2.gz GUMUHEAQAWVRFU-WDEREUQCSA-N 1 2 263.316 1.722 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000602863328 344624792 /nfs/dbraw/zinc/62/47/92/344624792.db2.gz OMRFPJFFRRHVHA-ZFQMDJOTSA-N 1 2 251.374 1.962 20 30 CDEDLO CC(C)Oc1cccc(CNC(=O)C[NH2+][C@H](C)CC#N)c1 ZINC000602865085 344638350 /nfs/dbraw/zinc/63/83/50/344638350.db2.gz WELGBSIWPIHNTD-CYBMUJFWSA-N 1 2 289.379 1.982 20 30 CDEDLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N)cc1 ZINC000602867999 344639539 /nfs/dbraw/zinc/63/95/39/344639539.db2.gz GQELMHSCXLPKSY-WDEREUQCSA-N 1 2 261.325 1.914 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000602870440 344641272 /nfs/dbraw/zinc/64/12/72/344641272.db2.gz TZCZBUBZTKZWDB-JTQLQIEISA-N 1 2 288.307 1.376 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161170 347064556 /nfs/dbraw/zinc/06/45/56/347064556.db2.gz AXLWBNJAIJWLQX-HNNXBMFYSA-N 1 2 261.369 1.813 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161170 347064559 /nfs/dbraw/zinc/06/45/59/347064559.db2.gz AXLWBNJAIJWLQX-HNNXBMFYSA-N 1 2 261.369 1.813 20 30 CDEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC1 ZINC000609484396 344914389 /nfs/dbraw/zinc/91/43/89/344914389.db2.gz BJARDJDZCDYDBQ-KGLIPLIRSA-N 1 2 294.443 1.455 20 30 CDEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc(C#N)cn3)n2)C1 ZINC000319021855 344971817 /nfs/dbraw/zinc/97/18/17/344971817.db2.gz AYUVKVWJGJPWCX-CYBMUJFWSA-N 1 2 299.334 1.785 20 30 CDEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc(C#N)cn3)n2)C1 ZINC000319021855 344971821 /nfs/dbraw/zinc/97/18/21/344971821.db2.gz AYUVKVWJGJPWCX-CYBMUJFWSA-N 1 2 299.334 1.785 20 30 CDEDLO C[C@@H]1COCC[C@H]1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330341594 362553735 /nfs/dbraw/zinc/55/37/35/362553735.db2.gz ZLPMJGUJZPXNSU-CHWSQXEVSA-N 1 2 299.415 1.026 20 30 CDEDLO C[C@@H]1COCC[C@H]1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330341594 362553741 /nfs/dbraw/zinc/55/37/41/362553741.db2.gz ZLPMJGUJZPXNSU-CHWSQXEVSA-N 1 2 299.415 1.026 20 30 CDEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000609538056 345595329 /nfs/dbraw/zinc/59/53/29/345595329.db2.gz HLSOTAVCYRLBKE-AWEZNQCLSA-N 1 2 261.373 1.086 20 30 CDEDLO COCC[N@H+](CCC#N)Cc1ccc2c(c1)CCO2 ZINC000610392071 346269373 /nfs/dbraw/zinc/26/93/73/346269373.db2.gz FXTUJTDZEPVWIS-UHFFFAOYSA-N 1 2 260.337 1.984 20 30 CDEDLO COCC[N@@H+](CCC#N)Cc1ccc2c(c1)CCO2 ZINC000610392071 346269377 /nfs/dbraw/zinc/26/93/77/346269377.db2.gz FXTUJTDZEPVWIS-UHFFFAOYSA-N 1 2 260.337 1.984 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000610395708 346270359 /nfs/dbraw/zinc/27/03/59/346270359.db2.gz TYBYFCNLAQPRQR-SECBINFHSA-N 1 2 262.269 1.425 20 30 CDEDLO CC(=O)N1CC[N@H+](Cc2ccnc(C#N)c2)[C@@H](C)C1 ZINC000610994102 346565712 /nfs/dbraw/zinc/56/57/12/346565712.db2.gz MLCVNCALCGCVML-NSHDSACASA-N 1 2 258.325 1.006 20 30 CDEDLO CC(=O)N1CC[N@@H+](Cc2ccnc(C#N)c2)[C@@H](C)C1 ZINC000610994102 346565716 /nfs/dbraw/zinc/56/57/16/346565716.db2.gz MLCVNCALCGCVML-NSHDSACASA-N 1 2 258.325 1.006 20 30 CDEDLO Cc1ccc(C#N)nc1N1CCN(c2cccc[nH+]2)CC1 ZINC000611399164 346774778 /nfs/dbraw/zinc/77/47/78/346774778.db2.gz UDDWRQSBANPZPC-UHFFFAOYSA-N 1 2 279.347 1.983 20 30 CDEDLO Cn1ncnc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000611406978 346777844 /nfs/dbraw/zinc/77/78/44/346777844.db2.gz LVBDJYQOQUKAPQ-CYBMUJFWSA-N 1 2 255.325 1.950 20 30 CDEDLO C=CC[C@H](CO)CNc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000450418484 362821716 /nfs/dbraw/zinc/82/17/16/362821716.db2.gz FTGPKDFZZQPDMN-LBPRGKRZSA-N 1 2 286.379 1.714 20 30 CDEDLO CCOC(=O)C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000067745844 347556514 /nfs/dbraw/zinc/55/65/14/347556514.db2.gz LHWMPNWKIQNKAZ-UHFFFAOYSA-N 1 2 276.336 1.570 20 30 CDEDLO CCOC(=O)C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000067745844 347556516 /nfs/dbraw/zinc/55/65/16/347556516.db2.gz LHWMPNWKIQNKAZ-UHFFFAOYSA-N 1 2 276.336 1.570 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000189455440 365946812 /nfs/dbraw/zinc/94/68/12/365946812.db2.gz XROUIODWEIEQFX-KBPBESRZSA-N 1 2 284.400 1.147 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000189455440 365946817 /nfs/dbraw/zinc/94/68/17/365946817.db2.gz XROUIODWEIEQFX-KBPBESRZSA-N 1 2 284.400 1.147 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000619722572 348213533 /nfs/dbraw/zinc/21/35/33/348213533.db2.gz SNYDAHYFPAMKPK-LLVKDONJSA-N 1 2 294.311 1.156 20 30 CDEDLO C=CC[N@H+](Cc1cn(Cc2cccnc2)nn1)C1CC1 ZINC000273345751 192121784 /nfs/dbraw/zinc/12/17/84/192121784.db2.gz AACIQVLPTUWWOA-UHFFFAOYSA-N 1 2 269.352 1.872 20 30 CDEDLO C=CC[N@@H+](Cc1cn(Cc2cccnc2)nn1)C1CC1 ZINC000273345751 192121785 /nfs/dbraw/zinc/12/17/85/192121785.db2.gz AACIQVLPTUWWOA-UHFFFAOYSA-N 1 2 269.352 1.872 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000336101731 362915076 /nfs/dbraw/zinc/91/50/76/362915076.db2.gz JGRFYBDKDRVPRR-CHWSQXEVSA-N 1 2 252.358 1.274 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000574899095 362926755 /nfs/dbraw/zinc/92/67/55/362926755.db2.gz MKJYADXQXOSJAI-NEPJUHHUSA-N 1 2 257.293 1.408 20 30 CDEDLO C=CC[N@H+](CC(=O)NC1CC1)Cc1cccc(C#N)c1 ZINC000063300702 348921909 /nfs/dbraw/zinc/92/19/09/348921909.db2.gz FTDLXQIVQGMFGR-UHFFFAOYSA-N 1 2 269.348 1.825 20 30 CDEDLO C=CC[N@@H+](CC(=O)NC1CC1)Cc1cccc(C#N)c1 ZINC000063300702 348921912 /nfs/dbraw/zinc/92/19/12/348921912.db2.gz FTDLXQIVQGMFGR-UHFFFAOYSA-N 1 2 269.348 1.825 20 30 CDEDLO C=C[C@H](O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@H](C)CO ZINC000616018418 349245939 /nfs/dbraw/zinc/24/59/39/349245939.db2.gz SIFNDZCXFIXATR-OTYXRUKQSA-N 1 2 289.335 1.383 20 30 CDEDLO Cc1nnc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c(C#N)c1C ZINC000104659738 186011437 /nfs/dbraw/zinc/01/14/37/186011437.db2.gz BDCSBGPCOKUTKZ-QWHCGFSZSA-N 1 2 289.383 1.486 20 30 CDEDLO Cc1nnc(SCc2cn(C)c[nH+]2)c(C#N)c1C ZINC000603314258 350255649 /nfs/dbraw/zinc/25/56/49/350255649.db2.gz JPRZLMMVRZSBEV-UHFFFAOYSA-N 1 2 259.338 1.991 20 30 CDEDLO Cc1nc(N2CCN(c3cc(C)[nH+]cc3C#N)CC2)n[nH]1 ZINC000603403595 350281304 /nfs/dbraw/zinc/28/13/04/350281304.db2.gz XCTWMJYYGYCRAA-UHFFFAOYSA-N 1 2 283.339 1.015 20 30 CDEDLO COCC[NH+]1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000333279710 362968146 /nfs/dbraw/zinc/96/81/46/362968146.db2.gz JFWHCNQSMKJAMZ-INIZCTEOSA-N 1 2 291.395 1.251 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)nn1 ZINC000653762650 412554288 /nfs/dbraw/zinc/55/42/88/412554288.db2.gz MZELKEUHAUUYDB-GFCCVEGCSA-N 1 2 287.371 1.270 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)nn1 ZINC000653762650 412554292 /nfs/dbraw/zinc/55/42/92/412554292.db2.gz MZELKEUHAUUYDB-GFCCVEGCSA-N 1 2 287.371 1.270 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](c3nc(C)n[nH]3)C2)nn1 ZINC000653762650 412554296 /nfs/dbraw/zinc/55/42/96/412554296.db2.gz MZELKEUHAUUYDB-GFCCVEGCSA-N 1 2 287.371 1.270 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](c3nc(C)n[nH]3)C2)nn1 ZINC000653762650 412554299 /nfs/dbraw/zinc/55/42/99/412554299.db2.gz MZELKEUHAUUYDB-GFCCVEGCSA-N 1 2 287.371 1.270 20 30 CDEDLO CCOCC[NH+]1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000110920218 186332510 /nfs/dbraw/zinc/33/25/10/186332510.db2.gz ONPPBQYAZZLKHQ-UHFFFAOYSA-N 1 2 287.363 1.353 20 30 CDEDLO CCc1nnc(N2CCn3cc[nH+]c3C2)c(C#N)c1CC ZINC000124966253 351390040 /nfs/dbraw/zinc/39/00/40/351390040.db2.gz FBUGJDIOUSMPAV-UHFFFAOYSA-N 1 2 282.351 1.690 20 30 CDEDLO CCc1nnc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)[nH]1 ZINC000292233713 198212309 /nfs/dbraw/zinc/21/23/09/198212309.db2.gz PTKBSZHKKMKMAV-GFCCVEGCSA-N 1 2 298.350 1.287 20 30 CDEDLO CCc1nnc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)[nH]1 ZINC000292233713 198212311 /nfs/dbraw/zinc/21/23/11/198212311.db2.gz PTKBSZHKKMKMAV-GFCCVEGCSA-N 1 2 298.350 1.287 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)N(C)Cc1[nH+]ccn1C ZINC000153332933 188076530 /nfs/dbraw/zinc/07/65/30/188076530.db2.gz JDBFNMJVNDYCPC-CYBMUJFWSA-N 1 2 278.400 1.665 20 30 CDEDLO C=C[C@@H](CO)NC(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000292472315 198300517 /nfs/dbraw/zinc/30/05/17/198300517.db2.gz PRFLDMNWAUSPSE-AWEZNQCLSA-N 1 2 291.395 1.749 20 30 CDEDLO C=C[C@@H](CO)NC(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000292472315 198300519 /nfs/dbraw/zinc/30/05/19/198300519.db2.gz PRFLDMNWAUSPSE-AWEZNQCLSA-N 1 2 291.395 1.749 20 30 CDEDLO N#CC1(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCCCC1 ZINC000333960547 363278524 /nfs/dbraw/zinc/27/85/24/363278524.db2.gz LFSAXBLTNQBHFT-OKILXGFUSA-N 1 2 291.395 1.440 20 30 CDEDLO N#CC1(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCCCC1 ZINC000333960547 363278528 /nfs/dbraw/zinc/27/85/28/363278528.db2.gz LFSAXBLTNQBHFT-OKILXGFUSA-N 1 2 291.395 1.440 20 30 CDEDLO C=CCC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(=O)OCC ZINC000492948218 366186749 /nfs/dbraw/zinc/18/67/49/366186749.db2.gz BJOCLKPJZDKRMP-GUOLPTJISA-N 1 2 277.324 1.437 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Nc1nc(C#N)c(Cl)s1 ZINC000590573362 358487957 /nfs/dbraw/zinc/48/79/57/358487957.db2.gz XOBGXJGBYILIOM-QMMMGPOBSA-N 1 2 286.788 1.223 20 30 CDEDLO N#Cc1cncnc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000570158284 363395102 /nfs/dbraw/zinc/39/51/02/363395102.db2.gz PYWYUXNLUJGPRC-UHFFFAOYSA-N 1 2 280.335 1.377 20 30 CDEDLO CN1CC[NH+](Cc2cccc(NC(=O)CC#N)c2)CC1 ZINC000153659976 363424154 /nfs/dbraw/zinc/42/41/54/363424154.db2.gz YFHAAGRDTTYKJI-UHFFFAOYSA-N 1 2 272.352 1.286 20 30 CDEDLO N#Cc1ccc(OCC(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000134498318 356326719 /nfs/dbraw/zinc/32/67/19/356326719.db2.gz SEHWHCHZJIGXGI-UHFFFAOYSA-N 1 2 270.292 1.019 20 30 CDEDLO N#C[C@@]1(NC(=O)C=Cc2c[nH]c[nH+]2)CCc2ccccc2C1 ZINC000493396367 366336259 /nfs/dbraw/zinc/33/62/59/366336259.db2.gz FZGLIVNJUCODKG-KEGWNNHHSA-N 1 2 292.342 1.990 20 30 CDEDLO Cc1nc([C@@H]2CCCN2C(=O)NCc2c[nH+]cn2C)no1 ZINC000329676830 538612781 /nfs/dbraw/zinc/61/27/81/538612781.db2.gz UYRAKWDPGOHJBE-NSHDSACASA-N 1 2 290.327 1.363 20 30 CDEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NCCCOC ZINC000298550475 356886821 /nfs/dbraw/zinc/88/68/21/356886821.db2.gz OBGQUELILXWAQY-OAHLLOKOSA-N 1 2 288.391 1.663 20 30 CDEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NCCCOC ZINC000298550475 356886824 /nfs/dbraw/zinc/88/68/24/356886824.db2.gz OBGQUELILXWAQY-OAHLLOKOSA-N 1 2 288.391 1.663 20 30 CDEDLO CCC[N@H+](Cc1ccc(C#N)s1)[C@H]1CC(=O)N(C)C1=O ZINC000282935005 357512716 /nfs/dbraw/zinc/51/27/16/357512716.db2.gz GASTVGOPUGWXEY-LBPRGKRZSA-N 1 2 291.376 1.589 20 30 CDEDLO CCC[N@@H+](Cc1ccc(C#N)s1)[C@H]1CC(=O)N(C)C1=O ZINC000282935005 357512721 /nfs/dbraw/zinc/51/27/21/357512721.db2.gz GASTVGOPUGWXEY-LBPRGKRZSA-N 1 2 291.376 1.589 20 30 CDEDLO C#CCO[C@@H](C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000294447878 199042948 /nfs/dbraw/zinc/04/29/48/199042948.db2.gz RISVISSGKAEEAP-ZDUSSCGKSA-N 1 2 287.363 1.336 20 30 CDEDLO CN1CC[C@@H]([NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)C1=O ZINC000080904752 358108273 /nfs/dbraw/zinc/10/82/73/358108273.db2.gz IXRBYPCWNTVDKM-CVEARBPZSA-N 1 2 298.390 1.100 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(O)CCC3)CC2)cc1 ZINC000274576873 358869695 /nfs/dbraw/zinc/86/96/95/358869695.db2.gz DDLRUVGGSYQGRY-UHFFFAOYSA-N 1 2 299.374 1.117 20 30 CDEDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1ccc(C#N)o1 ZINC000287698062 359111255 /nfs/dbraw/zinc/11/12/55/359111255.db2.gz FQOQBAMZFKBAAF-UHFFFAOYSA-N 1 2 294.336 1.059 20 30 CDEDLO Cc1nsc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1C#N ZINC000287925199 359139562 /nfs/dbraw/zinc/13/95/62/359139562.db2.gz PFFXQONTBRYIDA-MWLCHTKSSA-N 1 2 280.397 1.844 20 30 CDEDLO C=CC[N@H+]([C@@H]1CCS(=O)(=O)C1)[C@@H]1C=CCCC1 ZINC000264587432 359311374 /nfs/dbraw/zinc/31/13/74/359311374.db2.gz XVOJEDHNFZIDJG-CHWSQXEVSA-N 1 2 255.383 1.770 20 30 CDEDLO C=CC[N@@H+]([C@@H]1CCS(=O)(=O)C1)[C@@H]1C=CCCC1 ZINC000264587432 359311379 /nfs/dbraw/zinc/31/13/79/359311379.db2.gz XVOJEDHNFZIDJG-CHWSQXEVSA-N 1 2 255.383 1.770 20 30 CDEDLO C#CC[N@@H+](CC(=O)NC(=O)NC1CCCCC1)C1CC1 ZINC000274122275 359490494 /nfs/dbraw/zinc/49/04/94/359490494.db2.gz GYZDTWHAZUIHSJ-UHFFFAOYSA-N 1 2 277.368 1.243 20 30 CDEDLO C#CC[N@H+](CC(=O)NC(=O)NC1CCCCC1)C1CC1 ZINC000274122275 359490501 /nfs/dbraw/zinc/49/05/01/359490501.db2.gz GYZDTWHAZUIHSJ-UHFFFAOYSA-N 1 2 277.368 1.243 20 30 CDEDLO CC#CC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000277341207 359561222 /nfs/dbraw/zinc/56/12/22/359561222.db2.gz DOPQKUGVICUFLE-GFCCVEGCSA-N 1 2 266.291 1.707 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](O)[C@@H](N(C)C)C1 ZINC000571484040 359583910 /nfs/dbraw/zinc/58/39/10/359583910.db2.gz ANOJEEJZHYHWKX-CQDKDKBSSA-N 1 2 259.353 1.226 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@H](O)[C@@H](N(C)C)C1 ZINC000571484040 359583914 /nfs/dbraw/zinc/58/39/14/359583914.db2.gz ANOJEEJZHYHWKX-CQDKDKBSSA-N 1 2 259.353 1.226 20 30 CDEDLO C#CCOc1ccc(CNC(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC000297013872 200061334 /nfs/dbraw/zinc/06/13/34/200061334.db2.gz MQNBPABERLESAZ-UHFFFAOYSA-N 1 2 283.331 1.589 20 30 CDEDLO C#CCOc1ccc(CNC(=O)Cc2[nH+]c[nH]c2C)cc1 ZINC000297013872 200061335 /nfs/dbraw/zinc/06/13/35/200061335.db2.gz MQNBPABERLESAZ-UHFFFAOYSA-N 1 2 283.331 1.589 20 30 CDEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000408402446 359733597 /nfs/dbraw/zinc/73/35/97/359733597.db2.gz IHCGJIRKVKNLQI-NXEZZACHSA-N 1 2 299.421 1.333 20 30 CDEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000408402446 359733601 /nfs/dbraw/zinc/73/36/01/359733601.db2.gz IHCGJIRKVKNLQI-NXEZZACHSA-N 1 2 299.421 1.333 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000336802534 359845686 /nfs/dbraw/zinc/84/56/86/359845686.db2.gz UYWOEIRNYAJQHW-UWVGGRQHSA-N 1 2 277.290 1.774 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000336802534 359845689 /nfs/dbraw/zinc/84/56/89/359845689.db2.gz UYWOEIRNYAJQHW-UWVGGRQHSA-N 1 2 277.290 1.774 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@H](CCC)C2)C1=O ZINC000337195644 360019497 /nfs/dbraw/zinc/01/94/97/360019497.db2.gz WWAXIIFRQBSJBO-CHWSQXEVSA-N 1 2 252.358 1.274 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@H](CCC)C2)C1=O ZINC000337195644 360019502 /nfs/dbraw/zinc/01/95/02/360019502.db2.gz WWAXIIFRQBSJBO-CHWSQXEVSA-N 1 2 252.358 1.274 20 30 CDEDLO C=CCCn1cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)nn1 ZINC000424676104 360337960 /nfs/dbraw/zinc/33/79/60/360337960.db2.gz FOEBRIMBBATTNB-LBPRGKRZSA-N 1 2 288.355 1.117 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000426244718 360650506 /nfs/dbraw/zinc/65/05/06/360650506.db2.gz JNECHKJTDCGZQZ-JTQLQIEISA-N 1 2 257.284 1.522 20 30 CDEDLO CC(C)OCC[C@@H](O)C[N@H+](CCC#N)Cc1ccccn1 ZINC000349895495 360959114 /nfs/dbraw/zinc/95/91/14/360959114.db2.gz PTJNXSKEZLYORE-MRXNPFEDSA-N 1 2 291.395 1.973 20 30 CDEDLO CC(C)OCC[C@@H](O)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000349895495 360959118 /nfs/dbraw/zinc/95/91/18/360959118.db2.gz PTJNXSKEZLYORE-MRXNPFEDSA-N 1 2 291.395 1.973 20 30 CDEDLO Cc1ccc(C#N)c(NCC[N@@H+]2CCOCC2(C)C)n1 ZINC000179776787 189219366 /nfs/dbraw/zinc/21/93/66/189219366.db2.gz WKLBYQXBQDGOED-UHFFFAOYSA-N 1 2 274.368 1.784 20 30 CDEDLO Cc1ccc(C#N)c(NCC[N@H+]2CCOCC2(C)C)n1 ZINC000179776787 189219367 /nfs/dbraw/zinc/21/93/67/189219367.db2.gz WKLBYQXBQDGOED-UHFFFAOYSA-N 1 2 274.368 1.784 20 30 CDEDLO C[N@H+](CC(C)(C)C#N)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000433302293 361229320 /nfs/dbraw/zinc/22/93/20/361229320.db2.gz IOOOIYUGOYKNDE-VIFPVBQESA-N 1 2 277.290 1.631 20 30 CDEDLO C[N@@H+](CC(C)(C)C#N)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000433302293 361229324 /nfs/dbraw/zinc/22/93/24/361229324.db2.gz IOOOIYUGOYKNDE-VIFPVBQESA-N 1 2 277.290 1.631 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000520230085 361448573 /nfs/dbraw/zinc/44/85/73/361448573.db2.gz APEVDBDNDJVUKC-SMDDNHRTSA-N 1 2 261.300 1.892 20 30 CDEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2cnon2)CC1 ZINC000851726591 781949987 /nfs/dbraw/zinc/94/99/87/781949987.db2.gz TZZDNMHCXAELPZ-UHFFFAOYSA-N 1 2 283.335 1.654 20 30 CDEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2cnon2)CC1 ZINC000851726591 781950000 /nfs/dbraw/zinc/95/00/00/781950000.db2.gz TZZDNMHCXAELPZ-UHFFFAOYSA-N 1 2 283.335 1.654 20 30 CDEDLO CC[N@H+](CCc1nc2ccccc2c(=O)[nH]1)C[C@@H](C)C#N ZINC000103469574 363926608 /nfs/dbraw/zinc/92/66/08/363926608.db2.gz DETHLAKLLWGFTO-LBPRGKRZSA-N 1 2 284.363 1.947 20 30 CDEDLO CC[N@@H+](CCc1nc2ccccc2c(=O)[nH]1)C[C@@H](C)C#N ZINC000103469574 363926614 /nfs/dbraw/zinc/92/66/14/363926614.db2.gz DETHLAKLLWGFTO-LBPRGKRZSA-N 1 2 284.363 1.947 20 30 CDEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc(C#N)c(O)c1 ZINC000456360437 364250183 /nfs/dbraw/zinc/25/01/83/364250183.db2.gz RTSQDQBJNDWZMC-SNVBAGLBSA-N 1 2 284.319 1.971 20 30 CDEDLO CC(C)(C)OC(=O)NCC1(C[NH+]2CC(O)(CC#N)C2)CC1 ZINC000496671309 366846895 /nfs/dbraw/zinc/84/68/95/366846895.db2.gz GLYULBQPRHCDSM-UHFFFAOYSA-N 1 2 295.383 1.252 20 30 CDEDLO C[C@@H](CCC#N)[N@@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000497064462 366865531 /nfs/dbraw/zinc/86/55/31/366865531.db2.gz OKGBSGFGEJJGFS-STQMWFEESA-N 1 2 297.399 1.904 20 30 CDEDLO C[C@@H](CCC#N)[N@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000497064462 366865538 /nfs/dbraw/zinc/86/55/38/366865538.db2.gz OKGBSGFGEJJGFS-STQMWFEESA-N 1 2 297.399 1.904 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2c(F)cccc2F)nn1 ZINC000640947393 364769346 /nfs/dbraw/zinc/76/93/46/364769346.db2.gz HJVAXPXNIBSJPH-UHFFFAOYSA-N 1 2 276.290 1.718 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2nc3ccccc3n2C)nn1 ZINC000641020583 364841502 /nfs/dbraw/zinc/84/15/02/364841502.db2.gz RQDCDYFSWIOWCD-UHFFFAOYSA-N 1 2 294.362 1.326 20 30 CDEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)C#N ZINC000195444896 365403814 /nfs/dbraw/zinc/40/38/14/365403814.db2.gz ZQLNCVJDJNYXOT-JTQLQIEISA-N 1 2 256.309 1.627 20 30 CDEDLO C=CC[N@@H+](CC(=O)N[C@H](C(C)=O)C(C)C)C1CC1 ZINC000357528352 367047947 /nfs/dbraw/zinc/04/79/47/367047947.db2.gz LIKXVCXSZGTURY-AWEZNQCLSA-N 1 2 252.358 1.367 20 30 CDEDLO C=CC[N@H+](CC(=O)N[C@H](C(C)=O)C(C)C)C1CC1 ZINC000357528352 367047954 /nfs/dbraw/zinc/04/79/54/367047954.db2.gz LIKXVCXSZGTURY-AWEZNQCLSA-N 1 2 252.358 1.367 20 30 CDEDLO Cc1cccc(O[C@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000567008881 370857824 /nfs/dbraw/zinc/85/78/24/370857824.db2.gz FIWXSNDUSICCSS-CJNGLKHVSA-N 1 2 289.379 1.722 20 30 CDEDLO COCc1noc(C[NH2+]C2(c3cccc(C#N)c3)CC2)n1 ZINC000272221038 367472028 /nfs/dbraw/zinc/47/20/28/367472028.db2.gz FYNSITOMKASVPW-UHFFFAOYSA-N 1 2 284.319 1.867 20 30 CDEDLO CC(C)N1CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC1=O ZINC000272621000 367782501 /nfs/dbraw/zinc/78/25/01/367782501.db2.gz UTQWRBNEJTWRCU-OAHLLOKOSA-N 1 2 287.363 1.144 20 30 CDEDLO CC(C)N1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC1=O ZINC000272621000 367782510 /nfs/dbraw/zinc/78/25/10/367782510.db2.gz UTQWRBNEJTWRCU-OAHLLOKOSA-N 1 2 287.363 1.144 20 30 CDEDLO C#CCCCCC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000367383983 368970666 /nfs/dbraw/zinc/97/06/66/368970666.db2.gz KIGCFJCSZOYBTK-CYBMUJFWSA-N 1 2 259.353 1.930 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1cn(-c2ccccc2)nn1 ZINC000361640347 368956053 /nfs/dbraw/zinc/95/60/53/368956053.db2.gz TZVOUMNLSADZDY-UHFFFAOYSA-N 1 2 272.352 1.902 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1cn(-c2ccccc2)nn1 ZINC000361640347 368956056 /nfs/dbraw/zinc/95/60/56/368956056.db2.gz TZVOUMNLSADZDY-UHFFFAOYSA-N 1 2 272.352 1.902 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)C[C@H](C)O1 ZINC000330703009 203133911 /nfs/dbraw/zinc/13/39/11/203133911.db2.gz PHHXGNWXFIBOBZ-BETUJISGSA-N 1 2 287.363 1.284 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)C[C@H](C)O1 ZINC000330703009 203133914 /nfs/dbraw/zinc/13/39/14/203133914.db2.gz PHHXGNWXFIBOBZ-BETUJISGSA-N 1 2 287.363 1.284 20 30 CDEDLO COC(=O)[C@H]([NH2+]CCOc1ccccc1C#N)C1CC1 ZINC000276274854 193268083 /nfs/dbraw/zinc/26/80/83/193268083.db2.gz DKAGHEFEHZNTBK-CQSZACIVSA-N 1 2 274.320 1.478 20 30 CDEDLO C=CC[N@@H+](CCc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000276301955 193278372 /nfs/dbraw/zinc/27/83/72/193278372.db2.gz KCPXQVJFCWWAKK-AWEZNQCLSA-N 1 2 297.424 1.121 20 30 CDEDLO C=CC[N@H+](CCc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000276301955 193278374 /nfs/dbraw/zinc/27/83/74/193278374.db2.gz KCPXQVJFCWWAKK-AWEZNQCLSA-N 1 2 297.424 1.121 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000565051582 370340229 /nfs/dbraw/zinc/34/02/29/370340229.db2.gz NSQIGHUCRPOKJH-NSHDSACASA-N 1 2 282.325 1.230 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cccnc1N1CCOCC1 ZINC000573833911 371676332 /nfs/dbraw/zinc/67/63/32/371676332.db2.gz JKKHODMEUSCXEW-AWEZNQCLSA-N 1 2 299.378 1.451 20 30 CDEDLO C[N@H+](CC(=O)NCC#N)Cc1cc(F)c(F)c(F)c1 ZINC000180488720 372380610 /nfs/dbraw/zinc/38/06/10/372380610.db2.gz GRKTYTKEVUOMOE-UHFFFAOYSA-N 1 2 271.242 1.175 20 30 CDEDLO C[N@@H+](CC(=O)NCC#N)Cc1cc(F)c(F)c(F)c1 ZINC000180488720 372380613 /nfs/dbraw/zinc/38/06/13/372380613.db2.gz GRKTYTKEVUOMOE-UHFFFAOYSA-N 1 2 271.242 1.175 20 30 CDEDLO C[C@H](C#N)CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000182868477 372631190 /nfs/dbraw/zinc/63/11/90/372631190.db2.gz SEZSLQZVTWEHBJ-GHMZBOCLSA-N 1 2 261.329 1.806 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000579730315 372637215 /nfs/dbraw/zinc/63/72/15/372637215.db2.gz RDMULDWWOSWHAG-ZDUSSCGKSA-N 1 2 291.376 1.614 20 30 CDEDLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000348307211 373101451 /nfs/dbraw/zinc/10/14/51/373101451.db2.gz OESFVQWRCZIHEF-LBPRGKRZSA-N 1 2 293.392 1.024 20 30 CDEDLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000348307211 373101458 /nfs/dbraw/zinc/10/14/58/373101458.db2.gz OESFVQWRCZIHEF-LBPRGKRZSA-N 1 2 293.392 1.024 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)cc1F ZINC000192192543 373593573 /nfs/dbraw/zinc/59/35/73/373593573.db2.gz AOIJHEUELRHKPR-OAHLLOKOSA-N 1 2 276.311 1.689 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)cc1F ZINC000192192543 373593577 /nfs/dbraw/zinc/59/35/77/373593577.db2.gz AOIJHEUELRHKPR-OAHLLOKOSA-N 1 2 276.311 1.689 20 30 CDEDLO C#C[C@H](C)[NH2+]Cc1csc(N(C(C)=O)C2CC2)n1 ZINC000289552273 197398874 /nfs/dbraw/zinc/39/88/74/197398874.db2.gz RESXDFVYQAJOTR-VIFPVBQESA-N 1 2 263.366 1.770 20 30 CDEDLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc(C#N)s1 ZINC000355156558 373822806 /nfs/dbraw/zinc/82/28/06/373822806.db2.gz AMDPSLBMYBGXAZ-NXEZZACHSA-N 1 2 252.339 1.201 20 30 CDEDLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(C#N)s1 ZINC000355156558 373822816 /nfs/dbraw/zinc/82/28/16/373822816.db2.gz AMDPSLBMYBGXAZ-NXEZZACHSA-N 1 2 252.339 1.201 20 30 CDEDLO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccco1 ZINC000298486632 373849966 /nfs/dbraw/zinc/84/99/66/373849966.db2.gz WMCQQPRFKQMIFD-UHFFFAOYSA-N 1 2 283.331 1.899 20 30 CDEDLO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccco1 ZINC000298486632 373849974 /nfs/dbraw/zinc/84/99/74/373849974.db2.gz WMCQQPRFKQMIFD-UHFFFAOYSA-N 1 2 283.331 1.899 20 30 CDEDLO CONC(=O)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000879923011 781963550 /nfs/dbraw/zinc/96/35/50/781963550.db2.gz CMZCZNZNKYFHOG-UHFFFAOYSA-N 1 2 291.326 1.587 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000342283674 374035114 /nfs/dbraw/zinc/03/51/14/374035114.db2.gz LAMVZDAYDVBXNE-SQWLQELKSA-N 1 2 280.412 1.910 20 30 CDEDLO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nncn1C ZINC000361751319 374048755 /nfs/dbraw/zinc/04/87/55/374048755.db2.gz QMVIJTGKYOCSEZ-SECBINFHSA-N 1 2 259.288 1.677 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1Nc1nc(N)c2ccccc2[nH+]1 ZINC000574485371 335023179 /nfs/dbraw/zinc/02/31/79/335023179.db2.gz LFFCMFLNNJPWIN-NEPJUHHUSA-N 1 2 256.309 1.798 20 30 CDEDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccccc1C#N ZINC000350873505 374121792 /nfs/dbraw/zinc/12/17/92/374121792.db2.gz ZFEJLNNDYVWJJN-RYUDHWBXSA-N 1 2 293.392 1.271 20 30 CDEDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccccc1C#N ZINC000350873505 374121796 /nfs/dbraw/zinc/12/17/96/374121796.db2.gz ZFEJLNNDYVWJJN-RYUDHWBXSA-N 1 2 293.392 1.271 20 30 CDEDLO C#Cc1ccc(C[N@@H+](C)CCS(=O)(=O)CC)cc1 ZINC000289496549 197377377 /nfs/dbraw/zinc/37/73/77/197377377.db2.gz DAXGTODRFVOILT-UHFFFAOYSA-N 1 2 265.378 1.534 20 30 CDEDLO C=CCOc1cccnc1C(=O)NCc1[nH]c[nH+]c1C ZINC000342373054 374155395 /nfs/dbraw/zinc/15/53/95/374155395.db2.gz JJMAGTJSVIPFHG-UHFFFAOYSA-N 1 2 272.308 1.608 20 30 CDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccc(C#N)cc1 ZINC000308707529 374194253 /nfs/dbraw/zinc/19/42/53/374194253.db2.gz QCMKCTFDMGNVAH-UHFFFAOYSA-N 1 2 287.363 1.399 20 30 CDEDLO CCCNC(=O)C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000063754410 374206814 /nfs/dbraw/zinc/20/68/14/374206814.db2.gz SJXBMVFNNATHQP-UHFFFAOYSA-N 1 2 289.379 1.533 20 30 CDEDLO CCCNC(=O)C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000063754410 374206820 /nfs/dbraw/zinc/20/68/20/374206820.db2.gz SJXBMVFNNATHQP-UHFFFAOYSA-N 1 2 289.379 1.533 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C[C@@H](C)O1 ZINC000330202789 541912976 /nfs/dbraw/zinc/91/29/76/541912976.db2.gz ZTVWNBGASSTIAO-IJLUTSLNSA-N 1 2 278.356 1.221 20 30 CDEDLO C=CCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000661569688 541911062 /nfs/dbraw/zinc/91/10/62/541911062.db2.gz RZJCEKBSMGDQGE-CHWSQXEVSA-N 1 2 267.373 1.067 20 30 CDEDLO N#Cc1ccc(CSCC(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000114338733 374305389 /nfs/dbraw/zinc/30/53/89/374305389.db2.gz BQAKXEGWAMJEQJ-UHFFFAOYSA-N 1 2 286.360 1.831 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](O)CC1 ZINC000293199150 374351258 /nfs/dbraw/zinc/35/12/58/374351258.db2.gz QSRGBSZMLMYSLS-LLVKDONJSA-N 1 2 279.365 1.405 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](O)CC1 ZINC000293199150 374351260 /nfs/dbraw/zinc/35/12/60/374351260.db2.gz QSRGBSZMLMYSLS-LLVKDONJSA-N 1 2 279.365 1.405 20 30 CDEDLO CCN1C(=O)[C@@H]2C[N@H+](Cc3ccccc3C#N)CCN2C1=O ZINC000369442022 374352977 /nfs/dbraw/zinc/35/29/77/374352977.db2.gz KJVURAKSUUASBY-AWEZNQCLSA-N 1 2 298.346 1.027 20 30 CDEDLO CCN1C(=O)[C@@H]2C[N@@H+](Cc3ccccc3C#N)CCN2C1=O ZINC000369442022 374352984 /nfs/dbraw/zinc/35/29/84/374352984.db2.gz KJVURAKSUUASBY-AWEZNQCLSA-N 1 2 298.346 1.027 20 30 CDEDLO CCOC(=O)[C@@H](F)C1C[NH+](Cc2cc(C#N)n(C)c2)C1 ZINC000293513934 374378042 /nfs/dbraw/zinc/37/80/42/374378042.db2.gz AHTNFHSSWCEKNM-ZDUSSCGKSA-N 1 2 279.315 1.230 20 30 CDEDLO CO[C@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000115541572 374414952 /nfs/dbraw/zinc/41/49/52/374414952.db2.gz JODANZHUDLYMAB-KBPBESRZSA-N 1 2 273.336 1.195 20 30 CDEDLO CO[C@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000115541572 374414955 /nfs/dbraw/zinc/41/49/55/374414955.db2.gz JODANZHUDLYMAB-KBPBESRZSA-N 1 2 273.336 1.195 20 30 CDEDLO Cn1nccc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000092612816 374700283 /nfs/dbraw/zinc/70/02/83/374700283.db2.gz QSFMRWMBDHEULB-UHFFFAOYSA-N 1 2 299.353 1.753 20 30 CDEDLO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC[S@](=O)C1 ZINC000277449051 374787944 /nfs/dbraw/zinc/78/79/44/374787944.db2.gz LVIZPTUVMQTYNQ-RAJNIJHNSA-N 1 2 292.404 1.292 20 30 CDEDLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC[S@](=O)C1 ZINC000277449051 374787948 /nfs/dbraw/zinc/78/79/48/374787948.db2.gz LVIZPTUVMQTYNQ-RAJNIJHNSA-N 1 2 292.404 1.292 20 30 CDEDLO Cc1ccc(NC(=O)C2CC[NH+](CCC#N)CC2)nc1 ZINC000048546240 375321761 /nfs/dbraw/zinc/32/17/61/375321761.db2.gz RSQITFAIUPSUTM-UHFFFAOYSA-N 1 2 272.352 1.954 20 30 CDEDLO N#Cc1cccc(/C=C\C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000493369013 375447239 /nfs/dbraw/zinc/44/72/39/375447239.db2.gz MNTLSOJWWWBJFZ-PLNGDYQASA-N 1 2 278.315 1.810 20 30 CDEDLO N#Cc1cccc(OCC[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)c1 ZINC000132331647 375453810 /nfs/dbraw/zinc/45/38/10/375453810.db2.gz VUJDKBJWGQODEQ-HOTGVXAUSA-N 1 2 299.374 1.680 20 30 CDEDLO N#Cc1cccc(OCC[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)c1 ZINC000132331647 375453816 /nfs/dbraw/zinc/45/38/16/375453816.db2.gz VUJDKBJWGQODEQ-HOTGVXAUSA-N 1 2 299.374 1.680 20 30 CDEDLO CO[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC000328777596 375953512 /nfs/dbraw/zinc/95/35/12/375953512.db2.gz LMHNFXQLMAHIDV-CMPLNLGQSA-N 1 2 251.330 1.877 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)NCC(=O)N1CCCCC1 ZINC000328827606 375991938 /nfs/dbraw/zinc/99/19/38/375991938.db2.gz JOZYXOUPBZAXSO-UHFFFAOYSA-N 1 2 278.356 1.322 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000075831904 377132483 /nfs/dbraw/zinc/13/24/83/377132483.db2.gz JNLWKMCDZCCDHI-UHFFFAOYSA-N 1 2 252.358 1.324 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCOC2(CCCCC2)C1 ZINC000075831904 377132489 /nfs/dbraw/zinc/13/24/89/377132489.db2.gz JNLWKMCDZCCDHI-UHFFFAOYSA-N 1 2 252.358 1.324 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)C[C@](C)(O)C(F)(F)F)C1=O ZINC000281308373 377997460 /nfs/dbraw/zinc/99/74/60/377997460.db2.gz KIQODBKLGKBERB-KOLCDFICSA-N 1 2 280.290 1.018 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)C[C@](C)(O)C(F)(F)F)C1=O ZINC000281308373 377997468 /nfs/dbraw/zinc/99/74/68/377997468.db2.gz KIQODBKLGKBERB-KOLCDFICSA-N 1 2 280.290 1.018 20 30 CDEDLO C#CCOc1ccc(C[N@H+](CCOC)CC(=O)OC)cc1 ZINC000093416280 378084661 /nfs/dbraw/zinc/08/46/61/378084661.db2.gz ZCWAASNXULRJKS-UHFFFAOYSA-N 1 2 291.347 1.320 20 30 CDEDLO C#CCOc1ccc(C[N@@H+](CCOC)CC(=O)OC)cc1 ZINC000093416280 378084667 /nfs/dbraw/zinc/08/46/67/378084667.db2.gz ZCWAASNXULRJKS-UHFFFAOYSA-N 1 2 291.347 1.320 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cc(OC)c(OC)cc1OC ZINC000093461491 378077960 /nfs/dbraw/zinc/07/79/60/378077960.db2.gz ADTAQWUPJCMCBQ-UHFFFAOYSA-N 1 2 273.332 1.781 20 30 CDEDLO C#CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000286196654 378198275 /nfs/dbraw/zinc/19/82/75/378198275.db2.gz ALMHRGYXQVTDLR-MRXNPFEDSA-N 1 2 299.418 1.284 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCc1ccccc1COC ZINC000293218944 378560325 /nfs/dbraw/zinc/56/03/25/378560325.db2.gz RPXPBCQUWCSUDL-UHFFFAOYSA-N 1 2 274.364 1.404 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCc1ccccc1COC ZINC000293218944 378560330 /nfs/dbraw/zinc/56/03/30/378560330.db2.gz RPXPBCQUWCSUDL-UHFFFAOYSA-N 1 2 274.364 1.404 20 30 CDEDLO CC#CC[C@@H](CO)NC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633591096 378571203 /nfs/dbraw/zinc/57/12/03/378571203.db2.gz YNMBRGVICKYHQM-AWEZNQCLSA-N 1 2 283.331 1.581 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCc1[nH+]ccn1CC ZINC000295885879 378699650 /nfs/dbraw/zinc/69/96/50/378699650.db2.gz YVNPIVSECBNNHD-LLVKDONJSA-N 1 2 251.330 1.500 20 30 CDEDLO C=CC[C@H](CC)NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000343775043 378970653 /nfs/dbraw/zinc/97/06/53/378970653.db2.gz UDBGMHIAVLZGQV-LSDHHAIUSA-N 1 2 280.412 1.958 20 30 CDEDLO C=CC[C@H](CC)NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000343775043 378970657 /nfs/dbraw/zinc/97/06/57/378970657.db2.gz UDBGMHIAVLZGQV-LSDHHAIUSA-N 1 2 280.412 1.958 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000278973721 194236777 /nfs/dbraw/zinc/23/67/77/194236777.db2.gz XUSPHYDBGAKQHS-AWEZNQCLSA-N 1 2 263.341 1.374 20 30 CDEDLO C#Cc1ccc(C[N@H+](C)CCS(=O)(=O)CC)cc1 ZINC000289496549 197377378 /nfs/dbraw/zinc/37/73/78/197377378.db2.gz DAXGTODRFVOILT-UHFFFAOYSA-N 1 2 265.378 1.534 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NC1CCCC1 ZINC000042449697 285003519 /nfs/dbraw/zinc/00/35/19/285003519.db2.gz XJRDCJQSDJYECZ-RYUDHWBXSA-N 1 2 251.374 1.915 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NC1CCCC1 ZINC000042449697 285003520 /nfs/dbraw/zinc/00/35/20/285003520.db2.gz XJRDCJQSDJYECZ-RYUDHWBXSA-N 1 2 251.374 1.915 20 30 CDEDLO C#CCCCC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000192210519 533008909 /nfs/dbraw/zinc/00/89/09/533008909.db2.gz XKTRBMMCDBSUCN-UHFFFAOYSA-N 1 2 272.352 1.237 20 30 CDEDLO N#Cc1cccc(/C=C/C(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000491866034 253107931 /nfs/dbraw/zinc/10/79/31/253107931.db2.gz HIESRNBWIUZEQC-SNAWJCMRSA-N 1 2 278.315 1.851 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2nc3ccccc3n2C)C1=O ZINC000281127916 195114460 /nfs/dbraw/zinc/11/44/60/195114460.db2.gz CQNGSUBVVJTGFV-HNNXBMFYSA-N 1 2 298.390 1.792 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2nc3ccccc3n2C)C1=O ZINC000281127916 195114462 /nfs/dbraw/zinc/11/44/62/195114462.db2.gz CQNGSUBVVJTGFV-HNNXBMFYSA-N 1 2 298.390 1.792 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)/C=C\c1cccc(C#N)c1 ZINC000492530872 253239967 /nfs/dbraw/zinc/23/99/67/253239967.db2.gz GYPWNYIUAQIWFC-WAYWQWQTSA-N 1 2 280.331 1.664 20 30 CDEDLO C#CC[NH+]1CCN(c2nc(C(F)(F)F)cs2)CC1 ZINC000269408990 533156576 /nfs/dbraw/zinc/15/65/76/533156576.db2.gz YRMBJDXJSPBXGM-UHFFFAOYSA-N 1 2 275.299 1.917 20 30 CDEDLO C#CC[NH+]1CCN(c2cc(Cl)nc(C)n2)CC1 ZINC000263773037 533157487 /nfs/dbraw/zinc/15/74/87/533157487.db2.gz KJKKXWSIPNKFRE-UHFFFAOYSA-N 1 2 250.733 1.194 20 30 CDEDLO CCOCC[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000287888841 196963704 /nfs/dbraw/zinc/96/37/04/196963704.db2.gz NMGOSXVKMNSPPV-UHFFFAOYSA-N 1 2 280.397 1.482 20 30 CDEDLO CC1(C)CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H]1C#N ZINC000336149632 390450537 /nfs/dbraw/zinc/45/05/37/390450537.db2.gz VOXQQYWIKYODNF-QWHCGFSZSA-N 1 2 286.379 1.986 20 30 CDEDLO N#Cc1ccc([C@H]([NH2+][C@H]2CCC[C@H]2F)C(N)=O)cc1 ZINC000419214833 390546005 /nfs/dbraw/zinc/54/60/05/390546005.db2.gz YCSRUJIRTLPFGI-AGIUHOORSA-N 1 2 261.300 1.565 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000133821041 390937984 /nfs/dbraw/zinc/93/79/84/390937984.db2.gz UDIVHDFSKBMONA-LBPRGKRZSA-N 1 2 289.354 1.944 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCc2ccc(F)cc2C1 ZINC000133821041 390937985 /nfs/dbraw/zinc/93/79/85/390937985.db2.gz UDIVHDFSKBMONA-LBPRGKRZSA-N 1 2 289.354 1.944 20 30 CDEDLO C=C(C)CO[NH+]=C(N)COc1cccc(C(=O)OC)c1 ZINC000092896631 390898051 /nfs/dbraw/zinc/89/80/51/390898051.db2.gz WGGOSTHCKGEKPY-UHFFFAOYSA-N 1 2 278.308 1.717 20 30 CDEDLO O=C(NC1CC1)N[C@@H]1CCN(c2cc[nH+]c3ccncc32)C1 ZINC000329445853 390988924 /nfs/dbraw/zinc/98/89/24/390988924.db2.gz BLMMJQLLYKZUIB-GFCCVEGCSA-N 1 2 297.362 1.875 20 30 CDEDLO C#C[C@@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C(C)C ZINC000374164367 391151595 /nfs/dbraw/zinc/15/15/95/391151595.db2.gz QSVHOWWWIZEXHM-CABCVRRESA-N 1 2 278.396 1.404 20 30 CDEDLO C#C[C@@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C(C)C ZINC000374164367 391151596 /nfs/dbraw/zinc/15/15/96/391151596.db2.gz QSVHOWWWIZEXHM-CABCVRRESA-N 1 2 278.396 1.404 20 30 CDEDLO CCN(CC)C(=O)CO[NH+]=C(N)Cc1csc(C)n1 ZINC000177560283 391171448 /nfs/dbraw/zinc/17/14/48/391171448.db2.gz UWUUURMAZCOMRV-UHFFFAOYSA-N 1 2 284.385 1.151 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](COC)c1ccco1 ZINC000184512677 129328279 /nfs/dbraw/zinc/32/82/79/129328279.db2.gz TWOIFGCKQAGUJA-MNOVXSKESA-N 1 2 252.314 1.247 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](COC)c1ccc(CC)o1 ZINC000184776574 129365232 /nfs/dbraw/zinc/36/52/32/129365232.db2.gz IJJAMQINCKZZDS-YPMHNXCESA-N 1 2 280.368 1.810 20 30 CDEDLO Cc1nnc(CO[NH+]=C(N)c2ccc(C)c(F)c2)n1C ZINC000183246513 391258435 /nfs/dbraw/zinc/25/84/35/391258435.db2.gz RFYBPPHYNYCVGL-UHFFFAOYSA-N 1 2 277.303 1.408 20 30 CDEDLO N#C[C@@H]1N(CCn2cc[nH+]c2)CCC[C@@]12CCCCO2 ZINC000375918963 391207255 /nfs/dbraw/zinc/20/72/55/391207255.db2.gz YDKYURAGZSWKKL-GJZGRUSLSA-N 1 2 274.368 1.810 20 30 CDEDLO Cc1ccccc1OC[C@@H](O)C[N@@H+](C)[C@@H](C)CC#N ZINC000268318985 391214142 /nfs/dbraw/zinc/21/41/42/391214142.db2.gz SLCKIORNFRNOIX-KBPBESRZSA-N 1 2 262.353 1.969 20 30 CDEDLO Cc1ccccc1OC[C@@H](O)C[N@H+](C)[C@@H](C)CC#N ZINC000268318985 391214147 /nfs/dbraw/zinc/21/41/47/391214147.db2.gz SLCKIORNFRNOIX-KBPBESRZSA-N 1 2 262.353 1.969 20 30 CDEDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)s1 ZINC000353039195 391334041 /nfs/dbraw/zinc/33/40/41/391334041.db2.gz ICPVGPBCLYAZHE-IUCAKERBSA-N 1 2 281.385 1.258 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCC1(C#N)CCC1 ZINC000416398576 391294039 /nfs/dbraw/zinc/29/40/39/391294039.db2.gz MXDGKGAOUUEAJQ-LLVKDONJSA-N 1 2 261.329 1.265 20 30 CDEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C[C@H](C)O1 ZINC000346286466 391344394 /nfs/dbraw/zinc/34/43/94/391344394.db2.gz VAGPIYBLNNWEHC-RWMBFGLXSA-N 1 2 279.384 1.437 20 30 CDEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C[C@H](C)O1 ZINC000346286466 391344397 /nfs/dbraw/zinc/34/43/97/391344397.db2.gz VAGPIYBLNNWEHC-RWMBFGLXSA-N 1 2 279.384 1.437 20 30 CDEDLO Cc1cccnc1/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000493618208 391449521 /nfs/dbraw/zinc/44/95/21/391449521.db2.gz PJBRRBUOWGRIRJ-MVGZEHJDSA-N 1 2 272.352 1.363 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccnc(N(C)C)c1 ZINC000330618154 391459927 /nfs/dbraw/zinc/45/99/27/391459927.db2.gz HAJATGONVPMDCA-GFCCVEGCSA-N 1 2 292.383 1.173 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccnc(N(C)C)c1 ZINC000330618154 391459930 /nfs/dbraw/zinc/45/99/30/391459930.db2.gz HAJATGONVPMDCA-GFCCVEGCSA-N 1 2 292.383 1.173 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090008140 391621783 /nfs/dbraw/zinc/62/17/83/391621783.db2.gz VZOYXAYCLIETLW-GXTWGEPZSA-N 1 2 279.384 1.105 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000090008140 391621787 /nfs/dbraw/zinc/62/17/87/391621787.db2.gz VZOYXAYCLIETLW-GXTWGEPZSA-N 1 2 279.384 1.105 20 30 CDEDLO COC(=O)[C@H](COC(C)C)[N@H+](C)CC1(CC#N)CC1 ZINC000602784275 391638285 /nfs/dbraw/zinc/63/82/85/391638285.db2.gz MSWNCDSPQGBSMC-LBPRGKRZSA-N 1 2 268.357 1.579 20 30 CDEDLO COC(=O)[C@H](COC(C)C)[N@@H+](C)CC1(CC#N)CC1 ZINC000602784275 391638287 /nfs/dbraw/zinc/63/82/87/391638287.db2.gz MSWNCDSPQGBSMC-LBPRGKRZSA-N 1 2 268.357 1.579 20 30 CDEDLO C=CCN(CCC#N)C(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000359399657 391593879 /nfs/dbraw/zinc/59/38/79/391593879.db2.gz BHZLYAMJVPNZJG-HUUCEWRRSA-N 1 2 293.411 1.804 20 30 CDEDLO C=CCN(CCC#N)C(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000359399657 391593882 /nfs/dbraw/zinc/59/38/82/391593882.db2.gz BHZLYAMJVPNZJG-HUUCEWRRSA-N 1 2 293.411 1.804 20 30 CDEDLO CC(C)[C@H](C(=O)NCC(C)(C)C#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000359644181 391607326 /nfs/dbraw/zinc/60/73/26/391607326.db2.gz DYDRMWXPEXAISS-HZSPNIEDSA-N 1 2 295.427 1.786 20 30 CDEDLO CC(C)[C@H](C(=O)NCC(C)(C)C#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000359644181 391607330 /nfs/dbraw/zinc/60/73/30/391607330.db2.gz DYDRMWXPEXAISS-HZSPNIEDSA-N 1 2 295.427 1.786 20 30 CDEDLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(C#N)[nH]3)sc2C1 ZINC000160003344 391681208 /nfs/dbraw/zinc/68/12/08/391681208.db2.gz MQLLWKZCPWEATH-UHFFFAOYSA-N 1 2 287.348 1.583 20 30 CDEDLO C[N@H+]1CCc2nc(NC(=O)c3ccc(C#N)[nH]3)sc2C1 ZINC000160003344 391681212 /nfs/dbraw/zinc/68/12/12/391681212.db2.gz MQLLWKZCPWEATH-UHFFFAOYSA-N 1 2 287.348 1.583 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H]1CCC[C@H](C)C1)C(=O)OC ZINC000361112011 391683053 /nfs/dbraw/zinc/68/30/53/391683053.db2.gz WEJTVMLPJVAGBY-AVGNSLFASA-N 1 2 255.358 1.899 20 30 CDEDLO C#CC[N@H+](Cc1ccccc1)C[C@@H]1CCCS(=O)(=O)C1 ZINC000285829312 391721009 /nfs/dbraw/zinc/72/10/09/391721009.db2.gz VXGWTRBCSRIKMM-INIZCTEOSA-N 1 2 291.416 1.947 20 30 CDEDLO C#CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCS(=O)(=O)C1 ZINC000285829312 391721015 /nfs/dbraw/zinc/72/10/15/391721015.db2.gz VXGWTRBCSRIKMM-INIZCTEOSA-N 1 2 291.416 1.947 20 30 CDEDLO C=C[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000362372167 391721406 /nfs/dbraw/zinc/72/14/06/391721406.db2.gz XWLVFUJRFLJVAX-GFCCVEGCSA-N 1 2 290.367 1.292 20 30 CDEDLO C#CCNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000098033542 391723679 /nfs/dbraw/zinc/72/36/79/391723679.db2.gz BNJGVSGSLSUGNX-UHFFFAOYSA-N 1 2 254.293 1.305 20 30 CDEDLO Cn1cc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cn1 ZINC000329768157 391775908 /nfs/dbraw/zinc/77/59/08/391775908.db2.gz DMONHWJMQOKPRX-UHFFFAOYSA-N 1 2 274.328 1.568 20 30 CDEDLO Cn1cc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cn1 ZINC000329768157 391775913 /nfs/dbraw/zinc/77/59/13/391775913.db2.gz DMONHWJMQOKPRX-UHFFFAOYSA-N 1 2 274.328 1.568 20 30 CDEDLO C#Cc1ccccc1CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000289912885 391765162 /nfs/dbraw/zinc/76/51/62/391765162.db2.gz ODAYTNNERHJZKH-AWEZNQCLSA-N 1 2 286.375 1.047 20 30 CDEDLO Cc1cc(C[NH+]2CCN(Cc3cc(C#N)n(C)c3)CC2)on1 ZINC000191198894 130200197 /nfs/dbraw/zinc/20/01/97/130200197.db2.gz MOIDUWQRYFJCSZ-UHFFFAOYSA-N 1 2 299.378 1.511 20 30 CDEDLO Cc1cc(CN2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)on1 ZINC000191198894 130200201 /nfs/dbraw/zinc/20/02/01/130200201.db2.gz MOIDUWQRYFJCSZ-UHFFFAOYSA-N 1 2 299.378 1.511 20 30 CDEDLO CC[C@@H]1CC[C@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)O1 ZINC000329783480 391778139 /nfs/dbraw/zinc/77/81/39/391778139.db2.gz VCXAEDHRFJWQHX-GRYCIOLGSA-N 1 2 256.346 1.231 20 30 CDEDLO CC[C@@H]1CC[C@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)O1 ZINC000329783480 391778143 /nfs/dbraw/zinc/77/81/43/391778143.db2.gz VCXAEDHRFJWQHX-GRYCIOLGSA-N 1 2 256.346 1.231 20 30 CDEDLO C=C(Cl)CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000372305392 391846855 /nfs/dbraw/zinc/84/68/55/391846855.db2.gz PUVSZHAAZIDOGS-SNVBAGLBSA-N 1 2 268.748 1.672 20 30 CDEDLO CC1(C)C[N@H+](CCOc2ccccc2C#N)C[C@H](CO)O1 ZINC000163111697 391902443 /nfs/dbraw/zinc/90/24/43/391902443.db2.gz IWAMGTPXXJEENA-CQSZACIVSA-N 1 2 290.363 1.409 20 30 CDEDLO CC1(C)C[N@@H+](CCOc2ccccc2C#N)C[C@H](CO)O1 ZINC000163111697 391902445 /nfs/dbraw/zinc/90/24/45/391902445.db2.gz IWAMGTPXXJEENA-CQSZACIVSA-N 1 2 290.363 1.409 20 30 CDEDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000496579729 391923727 /nfs/dbraw/zinc/92/37/27/391923727.db2.gz DSAILJCAWPBGPV-LLVKDONJSA-N 1 2 294.380 1.725 20 30 CDEDLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1nc(C#N)cs1 ZINC000496579729 391923731 /nfs/dbraw/zinc/92/37/31/391923731.db2.gz DSAILJCAWPBGPV-LLVKDONJSA-N 1 2 294.380 1.725 20 30 CDEDLO N#Cc1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)ccn1 ZINC000193028140 130575016 /nfs/dbraw/zinc/57/50/16/130575016.db2.gz GJTLENUHBFLABK-UHFFFAOYSA-N 1 2 281.319 1.627 20 30 CDEDLO C=C[C@H](O)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000646683889 392649481 /nfs/dbraw/zinc/64/94/81/392649481.db2.gz IDVHZVIIUFDWGF-AWEZNQCLSA-N 1 2 289.379 1.481 20 30 CDEDLO C[C@@H]1C[N@H+](CCNc2ccc(Cl)c(C#N)n2)CCO1 ZINC000520988844 392862909 /nfs/dbraw/zinc/86/29/09/392862909.db2.gz FMMWRYCJODUVBL-SNVBAGLBSA-N 1 2 280.759 1.161 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNc2ccc(Cl)c(C#N)n2)CCO1 ZINC000520988844 392862916 /nfs/dbraw/zinc/86/29/16/392862916.db2.gz FMMWRYCJODUVBL-SNVBAGLBSA-N 1 2 280.759 1.161 20 30 CDEDLO N#Cc1ccc2ncc(C[N@@H+]3CC[C@@]34CCOC4)n2c1 ZINC000421395567 392934957 /nfs/dbraw/zinc/93/49/57/392934957.db2.gz AIMAPMTVCRSGOD-HNNXBMFYSA-N 1 2 268.320 1.571 20 30 CDEDLO N#Cc1ccc2ncc(C[N@H+]3CC[C@@]34CCOC4)n2c1 ZINC000421395567 392934961 /nfs/dbraw/zinc/93/49/61/392934961.db2.gz AIMAPMTVCRSGOD-HNNXBMFYSA-N 1 2 268.320 1.571 20 30 CDEDLO Cc1cc(NC[C@](C)(O)C(F)(F)F)c(C#N)c[nH+]1 ZINC000425248018 393003371 /nfs/dbraw/zinc/00/33/71/393003371.db2.gz QAEFQVWDNGDERS-JTQLQIEISA-N 1 2 259.231 1.409 20 30 CDEDLO COc1ccc(C[NH+]2CCN(C(=O)C3CC3)CC2)cc1C#N ZINC000533538630 393085032 /nfs/dbraw/zinc/08/50/32/393085032.db2.gz HKPZHNWPZKFLBM-UHFFFAOYSA-N 1 2 299.374 1.621 20 30 CDEDLO C[C@H](O)C[NH+]1CCN(c2ncc(C#N)cc2Cl)CC1 ZINC000275058985 135103088 /nfs/dbraw/zinc/10/30/88/135103088.db2.gz VRXHZCKQNLOORT-JTQLQIEISA-N 1 2 280.759 1.109 20 30 CDEDLO Cc1ccc(C#N)c(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)n1 ZINC000286358019 292045159 /nfs/dbraw/zinc/04/51/59/292045159.db2.gz MZTXSMKFUZXDRM-UKRRQHHQSA-N 1 2 286.379 1.561 20 30 CDEDLO CO[C@@H](C)C[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000312855288 149239664 /nfs/dbraw/zinc/23/96/64/149239664.db2.gz YNPNBHQLTJCRCW-LBPRGKRZSA-N 1 2 296.392 1.299 20 30 CDEDLO CO[C@@H](C)C[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000312855288 149239666 /nfs/dbraw/zinc/23/96/66/149239666.db2.gz YNPNBHQLTJCRCW-LBPRGKRZSA-N 1 2 296.392 1.299 20 30 CDEDLO CCOC(=O)[C@H](C)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000343636644 152252270 /nfs/dbraw/zinc/25/22/70/152252270.db2.gz RGQCWYDNUARHCF-LBPRGKRZSA-N 1 2 276.336 1.820 20 30 CDEDLO CCOC(=O)[C@H](C)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000343636644 152252271 /nfs/dbraw/zinc/25/22/71/152252271.db2.gz RGQCWYDNUARHCF-LBPRGKRZSA-N 1 2 276.336 1.820 20 30 CDEDLO CN(C)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1C#N ZINC000348927997 154008789 /nfs/dbraw/zinc/00/87/89/154008789.db2.gz OHUAPCMCHMMBNE-UHFFFAOYSA-N 1 2 278.331 1.400 20 30 CDEDLO CN(C)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000348927997 154008791 /nfs/dbraw/zinc/00/87/91/154008791.db2.gz OHUAPCMCHMMBNE-UHFFFAOYSA-N 1 2 278.331 1.400 20 30 CDEDLO C[C@@H](c1cnccn1)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000374566545 160296953 /nfs/dbraw/zinc/29/69/53/160296953.db2.gz QDZFIHUZJIHKLV-ZDUSSCGKSA-N 1 2 294.362 1.626 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC2(F)F)C1 ZINC001033063419 782011605 /nfs/dbraw/zinc/01/16/05/782011605.db2.gz AQLCOEIBNLRAFR-UWVGGRQHSA-N 1 2 278.730 1.927 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC2(F)F)C1 ZINC001033063419 782011607 /nfs/dbraw/zinc/01/16/07/782011607.db2.gz AQLCOEIBNLRAFR-UWVGGRQHSA-N 1 2 278.730 1.927 20 30 CDEDLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000157086372 287104219 /nfs/dbraw/zinc/10/42/19/287104219.db2.gz KLHYPPNJSYQRGC-IUODEOHRSA-N 1 2 260.337 1.530 20 30 CDEDLO C[C@@H](O)C[C@@H]1COCC[N@H+]1Cc1cccc(C#N)c1 ZINC000157086372 287104221 /nfs/dbraw/zinc/10/42/21/287104221.db2.gz KLHYPPNJSYQRGC-IUODEOHRSA-N 1 2 260.337 1.530 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ncccn1 ZINC001049384926 782017967 /nfs/dbraw/zinc/01/79/67/782017967.db2.gz YQLSJQQUTBBBOX-HZSPNIEDSA-N 1 2 299.378 1.202 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ncccn1 ZINC001049384926 782017982 /nfs/dbraw/zinc/01/79/82/782017982.db2.gz YQLSJQQUTBBBOX-HZSPNIEDSA-N 1 2 299.378 1.202 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCSCC1 ZINC000020257254 171111377 /nfs/dbraw/zinc/11/13/77/171111377.db2.gz KUCWXEGIVIOHKR-LLVKDONJSA-N 1 2 275.377 1.934 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H]2CCCc3cn[nH]c32)nn1 ZINC000657400074 414285139 /nfs/dbraw/zinc/28/51/39/414285139.db2.gz PCMDPIPMUYWXRW-CYBMUJFWSA-N 1 2 272.356 1.745 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H]2CCCc3c[nH]nc32)nn1 ZINC000657400074 414285148 /nfs/dbraw/zinc/28/51/48/414285148.db2.gz PCMDPIPMUYWXRW-CYBMUJFWSA-N 1 2 272.356 1.745 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2snnc2C)nn1 ZINC000657472341 414368847 /nfs/dbraw/zinc/36/88/47/414368847.db2.gz QDZNSQPBWSEXBB-UHFFFAOYSA-N 1 2 264.358 1.304 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1Cc2ccccc2O1 ZINC001017718705 782021996 /nfs/dbraw/zinc/02/19/96/782021996.db2.gz FBURHIKIQASDEZ-UXLLHSPISA-N 1 2 296.370 1.299 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1Cc2ccccc2O1 ZINC001017718705 782022001 /nfs/dbraw/zinc/02/20/01/782022001.db2.gz FBURHIKIQASDEZ-UXLLHSPISA-N 1 2 296.370 1.299 20 30 CDEDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000334655420 225258248 /nfs/dbraw/zinc/25/82/48/225258248.db2.gz YYTSARHQSYXSJM-LLVKDONJSA-N 1 2 250.346 1.026 20 30 CDEDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000334655420 225258255 /nfs/dbraw/zinc/25/82/55/225258255.db2.gz YYTSARHQSYXSJM-LLVKDONJSA-N 1 2 250.346 1.026 20 30 CDEDLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCCCNC1=O ZINC000329249674 227383527 /nfs/dbraw/zinc/38/35/27/227383527.db2.gz TXOFPSWPYPTJEW-SNVBAGLBSA-N 1 2 250.302 1.808 20 30 CDEDLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCCCNC1=O ZINC000329249674 227383532 /nfs/dbraw/zinc/38/35/32/227383532.db2.gz TXOFPSWPYPTJEW-SNVBAGLBSA-N 1 2 250.302 1.808 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2cnccc2OC)CC1 ZINC000347193588 226055167 /nfs/dbraw/zinc/05/51/67/226055167.db2.gz WXIXZATUEBWDTP-UHFFFAOYSA-N 1 2 275.352 1.842 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cccc(CC#N)c1 ZINC000355091625 227390327 /nfs/dbraw/zinc/39/03/27/227390327.db2.gz VDUAQONPHYPIOH-ZDUSSCGKSA-N 1 2 287.363 1.203 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cccc(CC#N)c1 ZINC000355091625 227390331 /nfs/dbraw/zinc/39/03/31/227390331.db2.gz VDUAQONPHYPIOH-ZDUSSCGKSA-N 1 2 287.363 1.203 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCN(CC#N)C1CCCC1 ZINC000192725223 227272984 /nfs/dbraw/zinc/27/29/84/227272984.db2.gz JUZVCTJIRVUETK-CYBMUJFWSA-N 1 2 251.374 1.475 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCN(CC#N)C1CCCC1 ZINC000192725223 227272989 /nfs/dbraw/zinc/27/29/89/227272989.db2.gz JUZVCTJIRVUETK-CYBMUJFWSA-N 1 2 251.374 1.475 20 30 CDEDLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329052933 227274398 /nfs/dbraw/zinc/27/43/98/227274398.db2.gz HLNABHKBBCFIQS-BXUZGUMPSA-N 1 2 268.357 1.375 20 30 CDEDLO C[C@H](C(=O)NC1CC1)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329052933 227274401 /nfs/dbraw/zinc/27/44/01/227274401.db2.gz HLNABHKBBCFIQS-BXUZGUMPSA-N 1 2 268.357 1.375 20 30 CDEDLO CN(C)[C@@H](C(=O)Nc1nncn1C1CC1)c1c[nH+]cn1C ZINC000329105749 227299835 /nfs/dbraw/zinc/29/98/35/227299835.db2.gz HFTXTMSVGZSJRD-LLVKDONJSA-N 1 2 289.343 1.237 20 30 CDEDLO [O-]C(NCC1CCCC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330126244 228044659 /nfs/dbraw/zinc/04/46/59/228044659.db2.gz BYISWRLEBHWUQS-LBPRGKRZSA-N 1 2 262.357 1.892 20 30 CDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]CC1CCCC1 ZINC000330126244 228044661 /nfs/dbraw/zinc/04/46/61/228044661.db2.gz BYISWRLEBHWUQS-LBPRGKRZSA-N 1 2 262.357 1.892 20 30 CDEDLO [O-]C(NCC[C@@H]1CCOC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330202680 228064680 /nfs/dbraw/zinc/06/46/80/228064680.db2.gz ZPOSSEUFOLPQNO-VXGBXAGGSA-N 1 2 278.356 1.128 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]CC[C@@H]1CCOC1 ZINC000330202680 228064682 /nfs/dbraw/zinc/06/46/82/228064682.db2.gz ZPOSSEUFOLPQNO-VXGBXAGGSA-N 1 2 278.356 1.128 20 30 CDEDLO C[C@H]1C[C@@H](O)CCN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000330229885 228073868 /nfs/dbraw/zinc/07/38/68/228073868.db2.gz WEFYJYIHKHTTLT-XQQFMLRXSA-N 1 2 292.383 1.520 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CC(C)(C)C#N)C1 ZINC000332410060 228158820 /nfs/dbraw/zinc/15/88/20/228158820.db2.gz ZVMBBYSFXPZCNX-LLVKDONJSA-N 1 2 260.341 1.676 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCCCC(=O)C2)CC1 ZINC000813432940 782031429 /nfs/dbraw/zinc/03/14/29/782031429.db2.gz YKBRFALOSJMSAC-OAHLLOKOSA-N 1 2 290.407 1.693 20 30 CDEDLO Cc1ccc(C(N)=[NH+]OCC(=O)NC2CCCC2)cc1F ZINC000054269255 260216749 /nfs/dbraw/zinc/21/67/49/260216749.db2.gz BISROCDORZJUGQ-UHFFFAOYSA-N 1 2 293.342 1.830 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccnc1 ZINC000078663610 260301331 /nfs/dbraw/zinc/30/13/31/260301331.db2.gz ZWNXJXCIGNNTIT-UHFFFAOYSA-N 1 2 274.368 1.129 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)C[C@H](C2CC2)O1 ZINC000518187635 260352639 /nfs/dbraw/zinc/35/26/39/260352639.db2.gz DHYYNCQUXWLEAD-IAQYHMDHSA-N 1 2 297.362 1.600 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)C[C@H](C2CC2)O1 ZINC000518187635 260352640 /nfs/dbraw/zinc/35/26/40/260352640.db2.gz DHYYNCQUXWLEAD-IAQYHMDHSA-N 1 2 297.362 1.600 20 30 CDEDLO N#CCNC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000108865745 262065417 /nfs/dbraw/zinc/06/54/17/262065417.db2.gz IKJFMPHYUHNNMT-UHFFFAOYSA-N 1 2 298.346 1.041 20 30 CDEDLO C[C@@H]1C[N@H+](CCN(CCC#N)Cc2ccco2)CCO1 ZINC000191525555 262193143 /nfs/dbraw/zinc/19/31/43/262193143.db2.gz NKJMBEAYNUASMC-CQSZACIVSA-N 1 2 277.368 1.716 20 30 CDEDLO C[C@@H]1C[N@@H+](CCN(CCC#N)Cc2ccco2)CCO1 ZINC000191525555 262193145 /nfs/dbraw/zinc/19/31/45/262193145.db2.gz NKJMBEAYNUASMC-CQSZACIVSA-N 1 2 277.368 1.716 20 30 CDEDLO C=C[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000354839180 262304977 /nfs/dbraw/zinc/30/49/77/262304977.db2.gz GHEBKCDUMZZRNZ-YPMHNXCESA-N 1 2 252.358 1.321 20 30 CDEDLO C=C[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000354839180 262304980 /nfs/dbraw/zinc/30/49/80/262304980.db2.gz GHEBKCDUMZZRNZ-YPMHNXCESA-N 1 2 252.358 1.321 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000336687714 262379674 /nfs/dbraw/zinc/37/96/74/262379674.db2.gz AAERRHPHNSGQTD-BDAKNGLRSA-N 1 2 263.263 1.241 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000336687714 262379676 /nfs/dbraw/zinc/37/96/76/262379676.db2.gz AAERRHPHNSGQTD-BDAKNGLRSA-N 1 2 263.263 1.241 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000281818769 263072072 /nfs/dbraw/zinc/07/20/72/263072072.db2.gz LASHFSDSFMXMJT-ZDUSSCGKSA-N 1 2 274.368 1.893 20 30 CDEDLO CO/N=C/C(=O)NCCCCNc1cccc[nH+]1 ZINC000283059241 263080862 /nfs/dbraw/zinc/08/08/62/263080862.db2.gz MNCDSIXIMLJCNX-MHWRWJLKSA-N 1 2 250.302 1.022 20 30 CDEDLO N#Cc1ccccc1OCCO[NH+]=C(N)[C@H]1CCCO1 ZINC000283760898 263084127 /nfs/dbraw/zinc/08/41/27/263084127.db2.gz AYJVCSPMZAMEBX-CYBMUJFWSA-N 1 2 275.308 1.405 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000286000441 263096786 /nfs/dbraw/zinc/09/67/86/263096786.db2.gz NPABSBZVUIZFLG-CQSZACIVSA-N 1 2 260.341 1.986 20 30 CDEDLO C=CC[N@@H+](Cc1nc(=O)n(C)[nH]1)Cc1cccc(C#N)c1 ZINC000353502137 263102076 /nfs/dbraw/zinc/10/20/76/263102076.db2.gz PBKOHPOEOPFWJV-UHFFFAOYSA-N 1 2 283.335 1.168 20 30 CDEDLO C=CC[N@H+](Cc1nc(=O)n(C)[nH]1)Cc1cccc(C#N)c1 ZINC000353502137 263102077 /nfs/dbraw/zinc/10/20/77/263102077.db2.gz PBKOHPOEOPFWJV-UHFFFAOYSA-N 1 2 283.335 1.168 20 30 CDEDLO CCc1nocc1C[N@@H+](C)CC(=O)N(CC)CCC#N ZINC000293377827 263139722 /nfs/dbraw/zinc/13/97/22/263139722.db2.gz JOYITXSCZUAYQK-UHFFFAOYSA-N 1 2 278.356 1.431 20 30 CDEDLO CCc1nocc1C[N@H+](C)CC(=O)N(CC)CCC#N ZINC000293377827 263139723 /nfs/dbraw/zinc/13/97/23/263139723.db2.gz JOYITXSCZUAYQK-UHFFFAOYSA-N 1 2 278.356 1.431 20 30 CDEDLO CC#CC[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000119870288 263278819 /nfs/dbraw/zinc/27/88/19/263278819.db2.gz AEIZKTUMHNYPLL-AWEZNQCLSA-N 1 2 260.312 1.886 20 30 CDEDLO CC#CC[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000119870288 263278820 /nfs/dbraw/zinc/27/88/20/263278820.db2.gz AEIZKTUMHNYPLL-AWEZNQCLSA-N 1 2 260.312 1.886 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1cc(C(=O)OC)ccc1C ZINC000121220221 263292790 /nfs/dbraw/zinc/29/27/90/263292790.db2.gz WZYCVGGSMWIWJH-UHFFFAOYSA-N 1 2 276.336 1.838 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1cc(C(=O)OC)ccc1C ZINC000121220221 263292792 /nfs/dbraw/zinc/29/27/92/263292792.db2.gz WZYCVGGSMWIWJH-UHFFFAOYSA-N 1 2 276.336 1.838 20 30 CDEDLO C=C(C)CS[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000341923387 263366810 /nfs/dbraw/zinc/36/68/10/263366810.db2.gz HLAVPCHGJFEEAO-GFCCVEGCSA-N 1 2 256.415 1.848 20 30 CDEDLO C[C@H](C#N)C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000342073095 263384762 /nfs/dbraw/zinc/38/47/62/263384762.db2.gz VGIPJLCRYHXODS-SNVBAGLBSA-N 1 2 254.293 1.853 20 30 CDEDLO Cn1cc(C[NH2+][C@@H](CCC#N)c2ccccc2)nn1 ZINC000342188990 263396671 /nfs/dbraw/zinc/39/66/71/263396671.db2.gz DZMLSFRVMIFNPY-AWEZNQCLSA-N 1 2 255.325 1.950 20 30 CDEDLO Cn1cc(C[NH2+][C@H](CCC#N)c2ccccc2)nn1 ZINC000342188992 263396912 /nfs/dbraw/zinc/39/69/12/263396912.db2.gz DZMLSFRVMIFNPY-CQSZACIVSA-N 1 2 255.325 1.950 20 30 CDEDLO CC[C@@H](C#N)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000330616281 263995668 /nfs/dbraw/zinc/99/56/68/263995668.db2.gz DJXNDAWQSWECSM-JTQLQIEISA-N 1 2 259.300 1.382 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000330867611 264057533 /nfs/dbraw/zinc/05/75/33/264057533.db2.gz PACZUVIOVPNBAP-XJKSGUPXSA-N 1 2 291.395 1.528 20 30 CDEDLO Cc1ncc(C[NH+]2CCN(C(=O)CCCC#N)CC2)s1 ZINC000330908844 264075363 /nfs/dbraw/zinc/07/53/63/264075363.db2.gz XCCYCQNXLCIYTC-UHFFFAOYSA-N 1 2 292.408 1.790 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000330954115 264087395 /nfs/dbraw/zinc/08/73/95/264087395.db2.gz MAPLDQAJZPITCL-HNNXBMFYSA-N 1 2 275.352 1.057 20 30 CDEDLO CC(C)=CCCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000331083682 264117502 /nfs/dbraw/zinc/11/75/02/264117502.db2.gz NJDABPGZEOTDQG-UHFFFAOYSA-N 1 2 283.416 1.957 20 30 CDEDLO CC(C)=CCCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000331083682 264117505 /nfs/dbraw/zinc/11/75/05/264117505.db2.gz NJDABPGZEOTDQG-UHFFFAOYSA-N 1 2 283.416 1.957 20 30 CDEDLO C[NH+]1CCN(CCNC(=O)c2cc(F)c(O)c(F)c2)CC1 ZINC000331227937 264151544 /nfs/dbraw/zinc/15/15/44/264151544.db2.gz FEUZLDFIJASIOE-UHFFFAOYSA-N 1 2 299.321 1.222 20 30 CDEDLO CCN(CCO)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331243905 264177782 /nfs/dbraw/zinc/17/77/82/264177782.db2.gz SDSYFGMMTARQOF-UHFFFAOYSA-N 1 2 251.330 1.867 20 30 CDEDLO C=C(C)CS(=O)(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000331244996 264178747 /nfs/dbraw/zinc/17/87/47/264178747.db2.gz OZDQQDDTPCONJG-GFCCVEGCSA-N 1 2 283.397 1.564 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331332071 264192062 /nfs/dbraw/zinc/19/20/62/264192062.db2.gz SAKHXQVJNKGETL-BBRMVZONSA-N 1 2 295.427 1.788 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331332071 264192065 /nfs/dbraw/zinc/19/20/65/264192065.db2.gz SAKHXQVJNKGETL-BBRMVZONSA-N 1 2 295.427 1.788 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000194491163 264775340 /nfs/dbraw/zinc/77/53/40/264775340.db2.gz ONKUMLSNRNHCMU-LBPRGKRZSA-N 1 2 267.373 1.248 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000194491163 264775345 /nfs/dbraw/zinc/77/53/45/264775345.db2.gz ONKUMLSNRNHCMU-LBPRGKRZSA-N 1 2 267.373 1.248 20 30 CDEDLO C=C(C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000356476685 266121646 /nfs/dbraw/zinc/12/16/46/266121646.db2.gz UMQLHSRBVWNREX-CYBMUJFWSA-N 1 2 252.358 1.322 20 30 CDEDLO C=C(C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000356476685 266121651 /nfs/dbraw/zinc/12/16/51/266121651.db2.gz UMQLHSRBVWNREX-CYBMUJFWSA-N 1 2 252.358 1.322 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)c1cccc(CC#N)c1 ZINC000356784482 266175377 /nfs/dbraw/zinc/17/53/77/266175377.db2.gz ULJZTBAODKTBCM-UHFFFAOYSA-N 1 2 254.293 1.416 20 30 CDEDLO CCCNC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369214632 267226384 /nfs/dbraw/zinc/22/63/84/267226384.db2.gz LALDPSNAPUSIPV-UHFFFAOYSA-N 1 2 286.379 1.465 20 30 CDEDLO Cc1cc(NCCC(=O)NC(C)(C)C)c(C#N)c[nH+]1 ZINC000399418788 267300092 /nfs/dbraw/zinc/30/00/92/267300092.db2.gz DTNCQEVZVOKONK-UHFFFAOYSA-N 1 2 260.341 1.400 20 30 CDEDLO Cc1cc(NC[C@@H]2CCN(CC(F)(F)F)C2)c(C#N)c[nH+]1 ZINC000399541869 267300129 /nfs/dbraw/zinc/30/01/29/267300129.db2.gz XFRPVXFHKIZEQA-NSHDSACASA-N 1 2 298.312 1.980 20 30 CDEDLO Cc1cccc2[nH+]c(CNc3cc(C#N)ncn3)cn21 ZINC000527384205 268059968 /nfs/dbraw/zinc/05/99/68/268059968.db2.gz RNVXWKPZPDTCRZ-UHFFFAOYSA-N 1 2 264.292 1.338 20 30 CDEDLO C[C@H](O)CNc1cc(NCc2ccc(C#N)s2)nc[nH+]1 ZINC000420610913 270379745 /nfs/dbraw/zinc/37/97/45/270379745.db2.gz OVQJFGWCSJGYCD-VIFPVBQESA-N 1 2 289.364 1.236 20 30 CDEDLO C[C@H](O)CNc1cc(NCc2ccc(C#N)s2)[nH+]cn1 ZINC000420610913 270379748 /nfs/dbraw/zinc/37/97/48/270379748.db2.gz OVQJFGWCSJGYCD-VIFPVBQESA-N 1 2 289.364 1.236 20 30 CDEDLO C[C@@H]1C[C@H](O)CN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000329543225 278031779 /nfs/dbraw/zinc/03/17/79/278031779.db2.gz YEXHFKQNBDYDME-KOLCDFICSA-N 1 2 260.297 1.335 20 30 CDEDLO CC(C)(C#N)CC[N@@H+]1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000346964978 278257358 /nfs/dbraw/zinc/25/73/58/278257358.db2.gz NHHZUFQTUDEEKR-OAHLLOKOSA-N 1 2 285.391 1.969 20 30 CDEDLO CC(C)(C#N)CC[N@H+]1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000346964978 278257360 /nfs/dbraw/zinc/25/73/60/278257360.db2.gz NHHZUFQTUDEEKR-OAHLLOKOSA-N 1 2 285.391 1.969 20 30 CDEDLO Cc1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cn1 ZINC000330289227 278777629 /nfs/dbraw/zinc/77/76/29/278777629.db2.gz BWIMBLLQKWLMOW-LBPRGKRZSA-N 1 2 256.309 1.906 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)c1ncc(C#N)cc1Cl ZINC000548460800 289889835 /nfs/dbraw/zinc/88/98/35/289889835.db2.gz WIDWEEHHESZAAR-UHFFFAOYSA-N 1 2 289.726 1.313 20 30 CDEDLO CC(C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cn2)CC1 ZINC000555674276 290232558 /nfs/dbraw/zinc/23/25/58/290232558.db2.gz UTXCYHDIBUVOQM-UHFFFAOYSA-N 1 2 286.379 1.644 20 30 CDEDLO CC(C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cn2)CC1 ZINC000555674276 290232563 /nfs/dbraw/zinc/23/25/63/290232563.db2.gz UTXCYHDIBUVOQM-UHFFFAOYSA-N 1 2 286.379 1.644 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3ncccc3F)CC2)nc1 ZINC000556121766 290254434 /nfs/dbraw/zinc/25/44/34/290254434.db2.gz JYIRHPKHKCERQY-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO N#Cc1nccc(NCc2cc[nH+]c(N3CCCCC3)c2)n1 ZINC000562128153 293114932 /nfs/dbraw/zinc/11/49/32/293114932.db2.gz LXUNGENYZSBHIR-UHFFFAOYSA-N 1 2 294.362 1.768 20 30 CDEDLO C[C@@H]1C[N@H+](CCNc2c(C#N)cccc2[N+](=O)[O-])CCO1 ZINC000563018577 293246440 /nfs/dbraw/zinc/24/64/40/293246440.db2.gz MQIUFXJGDDEFCA-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNc2c(C#N)cccc2[N+](=O)[O-])CCO1 ZINC000563018577 293246441 /nfs/dbraw/zinc/24/64/41/293246441.db2.gz MQIUFXJGDDEFCA-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO N#Cc1ccc(C[N@@H+](CCC(F)(F)F)C[C@@H](O)CO)o1 ZINC000354018720 303190353 /nfs/dbraw/zinc/19/03/53/303190353.db2.gz RTBQFQQNKZVDMH-SECBINFHSA-N 1 2 292.257 1.259 20 30 CDEDLO N#Cc1ccc(C[N@H+](CCC(F)(F)F)C[C@@H](O)CO)o1 ZINC000354018720 303190355 /nfs/dbraw/zinc/19/03/55/303190355.db2.gz RTBQFQQNKZVDMH-SECBINFHSA-N 1 2 292.257 1.259 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCC[N@@H+]1CCOC[C@H]1C)OCC ZINC000339349157 328007894 /nfs/dbraw/zinc/00/78/94/328007894.db2.gz YSROAFDRBSPSLL-ZIAGYGMSSA-N 1 2 284.400 1.195 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCC[N@H+]1CCOC[C@H]1C)OCC ZINC000339349157 328007895 /nfs/dbraw/zinc/00/78/95/328007895.db2.gz YSROAFDRBSPSLL-ZIAGYGMSSA-N 1 2 284.400 1.195 20 30 CDEDLO Cc1ccc([C@H]([NH2+]CCC#N)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280948249 328237321 /nfs/dbraw/zinc/23/73/21/328237321.db2.gz XBMFEVXMDWSVIT-TZMCWYRMSA-N 1 2 280.393 1.973 20 30 CDEDLO N#Cc1cc(C(=O)NCCCNc2cccc[nH+]2)c[nH]1 ZINC000181221864 323230286 /nfs/dbraw/zinc/23/02/86/323230286.db2.gz ITJWAPGNAFTJHS-UHFFFAOYSA-N 1 2 269.308 1.513 20 30 CDEDLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000185112180 323381646 /nfs/dbraw/zinc/38/16/46/323381646.db2.gz OCTKQHFEBUASPT-MGNBDDOMSA-N 1 2 268.357 1.896 20 30 CDEDLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000185112180 323381647 /nfs/dbraw/zinc/38/16/47/323381647.db2.gz OCTKQHFEBUASPT-MGNBDDOMSA-N 1 2 268.357 1.896 20 30 CDEDLO CC[C@H](CO)NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000331037998 328475085 /nfs/dbraw/zinc/47/50/85/328475085.db2.gz CEHWFPOHNSQNOV-LLVKDONJSA-N 1 2 261.325 1.957 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)NC[C@@H](C)CO)cc2n1C ZINC000331046990 328475517 /nfs/dbraw/zinc/47/55/17/328475517.db2.gz GCUHTBCWAZVKQD-SECBINFHSA-N 1 2 261.325 1.815 20 30 CDEDLO Cn1nnc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)n1 ZINC000583374604 325162090 /nfs/dbraw/zinc/16/20/90/325162090.db2.gz IVRKOJHTYRRQEU-CQSZACIVSA-N 1 2 282.351 1.639 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc2c1CCO2 ZINC000576272639 327027115 /nfs/dbraw/zinc/02/71/15/327027115.db2.gz AEHTVCBUPXQYBG-GFCCVEGCSA-N 1 2 275.352 1.240 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc2c1CCO2 ZINC000576272639 327027117 /nfs/dbraw/zinc/02/71/17/327027117.db2.gz AEHTVCBUPXQYBG-GFCCVEGCSA-N 1 2 275.352 1.240 20 30 CDEDLO C=CCn1cc(CN[C@@H]2C[C@H](C)n3cc[nH+]c32)nn1 ZINC000569350280 327155327 /nfs/dbraw/zinc/15/53/27/327155327.db2.gz IQRBMTFFDCFCLQ-CMPLNLGQSA-N 1 2 258.329 1.456 20 30 CDEDLO COc1cccc(OC)c1OC[C@H](O)C[N@H+](C)CCC#N ZINC000584269931 327205413 /nfs/dbraw/zinc/20/54/13/327205413.db2.gz OGVBAWBDODDDAQ-GFCCVEGCSA-N 1 2 294.351 1.289 20 30 CDEDLO COc1cccc(OC)c1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000584269931 327205414 /nfs/dbraw/zinc/20/54/14/327205414.db2.gz OGVBAWBDODDDAQ-GFCCVEGCSA-N 1 2 294.351 1.289 20 30 CDEDLO CC1CC(C#N)(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)C1 ZINC000561204825 327375326 /nfs/dbraw/zinc/37/53/26/327375326.db2.gz FALXUXDSARXCNT-IQXANGCESA-N 1 2 291.395 1.248 20 30 CDEDLO C#CCCS(=O)(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000377399307 329014221 /nfs/dbraw/zinc/01/42/21/329014221.db2.gz NPNWEBYTEMFUBD-CHWSQXEVSA-N 1 2 281.381 1.119 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cccc(OC)c1 ZINC000582674426 329123633 /nfs/dbraw/zinc/12/36/33/329123633.db2.gz JUGVNBWNIIGJHR-NSHDSACASA-N 1 2 261.325 1.916 20 30 CDEDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)CCC(C)(C)C#N ZINC000582692885 329128626 /nfs/dbraw/zinc/12/86/26/329128626.db2.gz HTCZEZFVUDBLSH-UHFFFAOYSA-N 1 2 284.385 1.122 20 30 CDEDLO C=C(C)CN(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000181154134 329233068 /nfs/dbraw/zinc/23/30/68/329233068.db2.gz LTQVSHSKIQGHPR-UHFFFAOYSA-N 1 2 269.389 1.315 20 30 CDEDLO C=C(C)CN(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000181154134 329233069 /nfs/dbraw/zinc/23/30/69/329233069.db2.gz LTQVSHSKIQGHPR-UHFFFAOYSA-N 1 2 269.389 1.315 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000189837038 329388847 /nfs/dbraw/zinc/38/88/47/329388847.db2.gz RCTDLRJVOGNSBB-AWEZNQCLSA-N 1 2 293.411 1.034 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000189837038 329388845 /nfs/dbraw/zinc/38/88/45/329388845.db2.gz RCTDLRJVOGNSBB-AWEZNQCLSA-N 1 2 293.411 1.034 20 30 CDEDLO CCc1[nH+]c2ccccc2n1CC(=O)N(CC)CC#N ZINC000049426895 329639229 /nfs/dbraw/zinc/63/92/29/329639229.db2.gz DUSVQWCSIDGMHN-UHFFFAOYSA-N 1 2 270.336 1.971 20 30 CDEDLO CCc1nc(C)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)o1 ZINC000571807089 329921984 /nfs/dbraw/zinc/92/19/84/329921984.db2.gz UIUJPJVSQPHQOH-ZDUSSCGKSA-N 1 2 264.329 1.119 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000580501145 330356562 /nfs/dbraw/zinc/35/65/62/330356562.db2.gz QCKZSICRNNMKTO-DOTOQJQBSA-N 1 2 299.374 1.953 20 30 CDEDLO NC(=O)C[C@H]1COCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000452085266 331053534 /nfs/dbraw/zinc/05/35/34/331053534.db2.gz NYQPDUCEBHRZEI-AWEZNQCLSA-N 1 2 292.766 1.268 20 30 CDEDLO NC(=O)C[C@H]1COCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000452085266 331053535 /nfs/dbraw/zinc/05/35/35/331053535.db2.gz NYQPDUCEBHRZEI-AWEZNQCLSA-N 1 2 292.766 1.268 20 30 CDEDLO C=C(C)CCNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000455325979 331166254 /nfs/dbraw/zinc/16/62/54/331166254.db2.gz NVKQYIXXZSWCOK-GFCCVEGCSA-N 1 2 262.357 1.885 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000459066748 331268901 /nfs/dbraw/zinc/26/89/01/331268901.db2.gz VAGUXYVXJSHDOL-NEPJUHHUSA-N 1 2 280.372 1.590 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CON=Cc2ccccc2C)CC1 ZINC000490800979 332116698 /nfs/dbraw/zinc/11/66/98/332116698.db2.gz ZBTMLJZHQXBXFP-UHFFFAOYSA-N 1 2 299.374 1.123 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N(C(C)C)C1CCCC1 ZINC000490822120 332118059 /nfs/dbraw/zinc/11/80/59/332118059.db2.gz YRUFOVCUCQGWLT-UHFFFAOYSA-N 1 2 260.381 1.734 20 30 CDEDLO C#CCNC(=O)C1CC[NH+](Cc2nc(C(C)C)no2)CC1 ZINC000491066460 332144470 /nfs/dbraw/zinc/14/44/70/332144470.db2.gz CIWDTDMGSRVIBX-UHFFFAOYSA-N 1 2 290.367 1.154 20 30 CDEDLO C#CCN(CC)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000491191505 332162883 /nfs/dbraw/zinc/16/28/83/332162883.db2.gz DVNFRFNHRUQVPB-UHFFFAOYSA-N 1 2 283.335 1.813 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)CC2(CCCCC2)C1=O ZINC000491254075 332175003 /nfs/dbraw/zinc/17/50/03/332175003.db2.gz QRSOXCDZCKUEJX-GFCCVEGCSA-N 1 2 262.353 1.607 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)CC2(CCCCC2)C1=O ZINC000491254075 332175004 /nfs/dbraw/zinc/17/50/04/332175004.db2.gz QRSOXCDZCKUEJX-GFCCVEGCSA-N 1 2 262.353 1.607 20 30 CDEDLO C#C[C@H]1COCCN1Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000491264077 332176151 /nfs/dbraw/zinc/17/61/51/332176151.db2.gz DXCFFBKXKCLYGA-AWEZNQCLSA-N 1 2 269.348 1.945 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@@](C)(C(C)(C)C)C1=O ZINC000491325386 332189575 /nfs/dbraw/zinc/18/95/75/332189575.db2.gz CBBAFNNHCDNYLG-IINYFYTJSA-N 1 2 265.357 1.254 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@@](C)(C(C)(C)C)C1=O ZINC000491325386 332189576 /nfs/dbraw/zinc/18/95/76/332189576.db2.gz CBBAFNNHCDNYLG-IINYFYTJSA-N 1 2 265.357 1.254 20 30 CDEDLO C#C[C@H]1COCCN1C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000491372747 332199210 /nfs/dbraw/zinc/19/92/10/332199210.db2.gz KUYWRANTZRZSCD-RYUDHWBXSA-N 1 2 276.340 1.008 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](O)COc1cc(C)ccc1C ZINC000491375930 332200334 /nfs/dbraw/zinc/20/03/34/332200334.db2.gz YAQZBJJPBGYDGR-JKSUJKDBSA-N 1 2 289.375 1.377 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](O)COc1cc(C)ccc1C ZINC000491375930 332200336 /nfs/dbraw/zinc/20/03/36/332200336.db2.gz YAQZBJJPBGYDGR-JKSUJKDBSA-N 1 2 289.375 1.377 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cc1cccc(S(C)(=O)=O)c1 ZINC000491484574 332219729 /nfs/dbraw/zinc/21/97/29/332219729.db2.gz JKRZIFJMKZIUGX-NSHDSACASA-N 1 2 251.351 1.544 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cc1cccc(S(C)(=O)=O)c1 ZINC000491484574 332219731 /nfs/dbraw/zinc/21/97/31/332219731.db2.gz JKRZIFJMKZIUGX-NSHDSACASA-N 1 2 251.351 1.544 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(COCC)n2C(C)C)CC1 ZINC000491514306 332226725 /nfs/dbraw/zinc/22/67/25/332226725.db2.gz HLBGZKANCLKFRT-UHFFFAOYSA-N 1 2 291.399 1.151 20 30 CDEDLO C#C[C@H](NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)C(C)C ZINC000491626712 332250283 /nfs/dbraw/zinc/25/02/83/332250283.db2.gz MQOZJLOZIXRISJ-GRYCIOLGSA-N 1 2 260.341 1.846 20 30 CDEDLO C#C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)c1ccc(F)cc1 ZINC000491630064 332252802 /nfs/dbraw/zinc/25/28/02/332252802.db2.gz NOHDMZAJFQOQFC-AWEZNQCLSA-N 1 2 274.339 1.958 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000491682377 332285079 /nfs/dbraw/zinc/28/50/79/332285079.db2.gz RVLXLSPNKYBPGB-ZDUSSCGKSA-N 1 2 262.357 1.717 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(-n2cncn2)c(C)c1 ZINC000491701564 332295963 /nfs/dbraw/zinc/29/59/63/332295963.db2.gz QGTOJAFSLGGVIR-HNNXBMFYSA-N 1 2 282.347 1.410 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(-n2cncn2)c(C)c1 ZINC000491701564 332295964 /nfs/dbraw/zinc/29/59/64/332295964.db2.gz QGTOJAFSLGGVIR-HNNXBMFYSA-N 1 2 282.347 1.410 20 30 CDEDLO C#C[C@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)C(C)(C)C ZINC000491717257 332306975 /nfs/dbraw/zinc/30/69/75/332306975.db2.gz PUHMUGNMAKAHGK-JQWIXIFHSA-N 1 2 259.353 1.994 20 30 CDEDLO C#C[C@H](NC(=O)[C@H]1CCCc2[nH]c[nH+]c21)C(C)(C)C ZINC000491717257 332306976 /nfs/dbraw/zinc/30/69/76/332306976.db2.gz PUHMUGNMAKAHGK-JQWIXIFHSA-N 1 2 259.353 1.994 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C[C@](C)(c2ccccc2)C1=O ZINC000491749694 332326503 /nfs/dbraw/zinc/32/65/03/332326503.db2.gz ZRLCQVWSTTXAKA-CXAGYDPISA-N 1 2 284.359 1.614 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C[C@](C)(c2ccccc2)C1=O ZINC000491749694 332326504 /nfs/dbraw/zinc/32/65/04/332326504.db2.gz ZRLCQVWSTTXAKA-CXAGYDPISA-N 1 2 284.359 1.614 20 30 CDEDLO C#CC[N@H+](C[C@H]1Cc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000491789532 332351532 /nfs/dbraw/zinc/35/15/32/332351532.db2.gz VEHONEYGKQSIJR-HUUCEWRRSA-N 1 2 289.400 1.449 20 30 CDEDLO C#CC[N@@H+](C[C@H]1Cc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000491789532 332351533 /nfs/dbraw/zinc/35/15/33/332351533.db2.gz VEHONEYGKQSIJR-HUUCEWRRSA-N 1 2 289.400 1.449 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1OC ZINC000491792859 332353338 /nfs/dbraw/zinc/35/33/38/332353338.db2.gz HTINTMFLSPZPIJ-CYBMUJFWSA-N 1 2 274.364 1.780 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1OC ZINC000491792859 332353340 /nfs/dbraw/zinc/35/33/40/332353340.db2.gz HTINTMFLSPZPIJ-CYBMUJFWSA-N 1 2 274.364 1.780 20 30 CDEDLO C#CCN(C(=O)NCc1cn2cc(C)ccc2[nH+]1)C1CC1 ZINC000491815062 332366524 /nfs/dbraw/zinc/36/65/24/332366524.db2.gz TYKIEVLWUJRQFZ-UHFFFAOYSA-N 1 2 282.347 1.950 20 30 CDEDLO C#CC[N@@H+](Cc1nc(-c2ccc(OC)nn2)no1)C1CC1 ZINC000491820468 332370183 /nfs/dbraw/zinc/37/01/83/332370183.db2.gz XPSGBRPDKGZNJB-UHFFFAOYSA-N 1 2 285.307 1.133 20 30 CDEDLO C#CC[N@H+](Cc1nc(-c2ccc(OC)nn2)no1)C1CC1 ZINC000491820468 332370184 /nfs/dbraw/zinc/37/01/84/332370184.db2.gz XPSGBRPDKGZNJB-UHFFFAOYSA-N 1 2 285.307 1.133 20 30 CDEDLO N#CCc1ccnc(NC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492855584 332416319 /nfs/dbraw/zinc/41/63/19/332416319.db2.gz AHLXYHWPLOZDKA-OWOJBTEDSA-N 1 2 253.265 1.523 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1ccc(F)cc1 ZINC000493829508 332455673 /nfs/dbraw/zinc/45/56/73/332455673.db2.gz WXSMTRISNHSGJB-RZIFZGNASA-N 1 2 275.327 1.799 20 30 CDEDLO CC(=O)Nc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000520926862 333107940 /nfs/dbraw/zinc/10/79/40/333107940.db2.gz KVKYCTOGKWBYML-OAHLLOKOSA-N 1 2 288.351 1.219 20 30 CDEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000565338693 334553746 /nfs/dbraw/zinc/55/37/46/334553746.db2.gz XXQBVZCMDAKBBD-UHFFFAOYSA-N 1 2 287.363 1.562 20 30 CDEDLO C[C@H](C#N)CNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000567420263 334715076 /nfs/dbraw/zinc/71/50/76/334715076.db2.gz JHDOBOKVYBTIBA-GFCCVEGCSA-N 1 2 292.408 1.735 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1sccc1Cl ZINC000567995867 334781063 /nfs/dbraw/zinc/78/10/63/334781063.db2.gz XPPGRUCRFZSNFU-LLVKDONJSA-N 1 2 271.773 1.975 20 30 CDEDLO Cc1cc(=NC(=O)C[C@@H](C)n2cc[nH+]c2)[nH]n1CCC#N ZINC000568516524 334828370 /nfs/dbraw/zinc/82/83/70/334828370.db2.gz DXJWDUSBQLLESS-LLVKDONJSA-N 1 2 286.339 1.313 20 30 CDEDLO COC(=O)C[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000343553028 335209080 /nfs/dbraw/zinc/20/90/80/335209080.db2.gz BLQCHVOJWDTVDX-HNNXBMFYSA-N 1 2 288.347 1.517 20 30 CDEDLO COC(=O)C[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000343553028 335209081 /nfs/dbraw/zinc/20/90/81/335209081.db2.gz BLQCHVOJWDTVDX-HNNXBMFYSA-N 1 2 288.347 1.517 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnn(-c2ccccc2)c1 ZINC000578272163 335594323 /nfs/dbraw/zinc/59/43/23/335594323.db2.gz USDBHFKCANEJFV-MRXNPFEDSA-N 1 2 297.362 1.446 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CCC(F)F)CCO2 ZINC001755050616 1159515086 /nfs/dbraw/zinc/51/50/86/1159515086.db2.gz WEALDXMACZVTQW-UHFFFAOYSA-N 1 2 288.338 1.521 20 30 CDEDLO C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC001755198578 1159799809 /nfs/dbraw/zinc/79/98/09/1159799809.db2.gz CISKKRMLXWYEOK-CYBMUJFWSA-N 1 2 286.379 1.457 20 30 CDEDLO C#CC[N@H+](C)C[C@H]1CCCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC001755198578 1159799817 /nfs/dbraw/zinc/79/98/17/1159799817.db2.gz CISKKRMLXWYEOK-CYBMUJFWSA-N 1 2 286.379 1.457 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)o1 ZINC001032697617 782126959 /nfs/dbraw/zinc/12/69/59/782126959.db2.gz GMKUCCIQULRTPO-QWRGUYRKSA-N 1 2 262.309 1.373 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)o1 ZINC001032697617 782126961 /nfs/dbraw/zinc/12/69/61/782126961.db2.gz GMKUCCIQULRTPO-QWRGUYRKSA-N 1 2 262.309 1.373 20 30 CDEDLO C=C[C@](C)(O)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000668794626 482326064 /nfs/dbraw/zinc/32/60/64/482326064.db2.gz MTFBCJJQQDELRK-DOMZBBRYSA-N 1 2 298.333 1.621 20 30 CDEDLO C=C[C@@](C)(O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000666020397 482685157 /nfs/dbraw/zinc/68/51/57/482685157.db2.gz HVCJKUATEWWKHW-OAHLLOKOSA-N 1 2 275.352 1.235 20 30 CDEDLO C=C[C@](C)(O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000667158404 483118712 /nfs/dbraw/zinc/11/87/12/483118712.db2.gz XVGOWBBLSPWPBE-HNNXBMFYSA-N 1 2 260.337 1.055 20 30 CDEDLO O=C(C#CC1CC1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927074965 782146147 /nfs/dbraw/zinc/14/61/47/782146147.db2.gz ILJJRHVDMSIORW-UHFFFAOYSA-N 1 2 269.348 1.898 20 30 CDEDLO CO[C@]1(C)CCC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000794663295 782154912 /nfs/dbraw/zinc/15/49/12/782154912.db2.gz ZDJJWRULBAODOF-CQSZACIVSA-N 1 2 261.325 1.178 20 30 CDEDLO CO[C@]1(C)CCC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000794663295 782154929 /nfs/dbraw/zinc/15/49/29/782154929.db2.gz ZDJJWRULBAODOF-CQSZACIVSA-N 1 2 261.325 1.178 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2CC(OC)C2)C1 ZINC001033173017 1161492138 /nfs/dbraw/zinc/49/21/38/1161492138.db2.gz YCUJMERZTKKDEY-CPCZMJQVSA-N 1 2 286.803 1.697 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2CC(OC)C2)C1 ZINC001033173017 1161492141 /nfs/dbraw/zinc/49/21/41/1161492141.db2.gz YCUJMERZTKKDEY-CPCZMJQVSA-N 1 2 286.803 1.697 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C)n1 ZINC001085490048 1161943087 /nfs/dbraw/zinc/94/30/87/1161943087.db2.gz NVIQFYIDMZCTHV-ZDUSSCGKSA-N 1 2 257.337 1.170 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C)n1 ZINC001085490048 1161943091 /nfs/dbraw/zinc/94/30/91/1161943091.db2.gz NVIQFYIDMZCTHV-ZDUSSCGKSA-N 1 2 257.337 1.170 20 30 CDEDLO C=CC(C)(C)C(=O)N(C)CC[NH2+][C@H](C)c1nc(C)no1 ZINC001753221146 1185121901 /nfs/dbraw/zinc/12/19/01/1185121901.db2.gz SUMKNKORFPHSPX-SNVBAGLBSA-N 1 2 280.372 1.699 20 30 CDEDLO CC#CCCCC(=O)N[C@@H](C)C[NH2+]Cc1csnn1 ZINC001754280001 1185547492 /nfs/dbraw/zinc/54/74/92/1185547492.db2.gz XDCMTFRWSWSKAU-NSHDSACASA-N 1 2 280.397 1.326 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCOC[C@@H]1C#N ZINC000332074790 534678586 /nfs/dbraw/zinc/67/85/86/534678586.db2.gz YKVLJUJEZVVFLS-ZDUSSCGKSA-N 1 2 298.346 1.486 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)OC[C@@H]2CCCCO2)CC1 ZINC001113719061 1162266298 /nfs/dbraw/zinc/26/62/98/1162266298.db2.gz VDJGUEHITFYIDP-GJZGRUSLSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](C)OC[C@@H]2CCCO2)CC1 ZINC001113718604 1162266302 /nfs/dbraw/zinc/26/63/02/1162266302.db2.gz HIOSQPWLEISVEF-GJZGRUSLSA-N 1 2 296.411 1.291 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C1CC(F)(F)C1 ZINC000330257919 534764760 /nfs/dbraw/zinc/76/47/60/534764760.db2.gz QYQGQXYVUXXOJE-MRVPVSSYSA-N 1 2 270.283 1.499 20 30 CDEDLO [O-]C(NC1CC(F)(F)C1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330257919 534764764 /nfs/dbraw/zinc/76/47/64/534764764.db2.gz QYQGQXYVUXXOJE-MRVPVSSYSA-N 1 2 270.283 1.499 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3cccc(F)c3C#N)C[C@H]21 ZINC000428408793 536445414 /nfs/dbraw/zinc/44/54/14/536445414.db2.gz ZBCBBSFRZAERPO-CABCVRRESA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3cccc(F)c3C#N)C[C@H]21 ZINC000428408793 536445417 /nfs/dbraw/zinc/44/54/17/536445417.db2.gz ZBCBBSFRZAERPO-CABCVRRESA-N 1 2 275.327 1.212 20 30 CDEDLO N#Cc1cc(F)ccc1NC(=O)NCc1ccc(N)[nH+]c1 ZINC000338415579 526562066 /nfs/dbraw/zinc/56/20/66/526562066.db2.gz BCGJCUKSBDVVGM-UHFFFAOYSA-N 1 2 285.282 1.827 20 30 CDEDLO C=CCNC(=O)c1ccccc1NCc1c[nH+]cn1C ZINC000347756632 526662614 /nfs/dbraw/zinc/66/26/14/526662614.db2.gz SGNUFPMGEBBHJA-UHFFFAOYSA-N 1 2 270.336 1.948 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCn2cc[nH+]c2C1 ZINC000333386080 526831585 /nfs/dbraw/zinc/83/15/85/526831585.db2.gz BRBNGKJKMRLNCL-TZMCWYRMSA-N 1 2 290.367 1.390 20 30 CDEDLO C=C(CC)C[NH2+][C@@H](C(=O)OCC)[C@H]1CCCOC1 ZINC000347609747 526860385 /nfs/dbraw/zinc/86/03/85/526860385.db2.gz KRHVZKYAYYCCMI-QWHCGFSZSA-N 1 2 255.358 1.901 20 30 CDEDLO C=C(CC)C[NH2+][C@@H](C(=O)OCC)[C@@H]1CCCOC1 ZINC000347609745 526860348 /nfs/dbraw/zinc/86/03/48/526860348.db2.gz KRHVZKYAYYCCMI-CHWSQXEVSA-N 1 2 255.358 1.901 20 30 CDEDLO CCOCC[NH+]1CCN(C(=O)[C@@](C)(C#N)CC)CC1 ZINC000352723060 528743430 /nfs/dbraw/zinc/74/34/30/528743430.db2.gz GYICVSUJTYIGMI-CQSZACIVSA-N 1 2 267.373 1.107 20 30 CDEDLO CC1(C)CC(C(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000351952475 528879718 /nfs/dbraw/zinc/87/97/18/528879718.db2.gz URGGIBMSPPAAFQ-UHFFFAOYSA-N 1 2 293.411 1.497 20 30 CDEDLO CC1(C)C[N@H+](CCNC(=O)N[C@]2(C)CCCOC2)CCO1 ZINC000329103031 529115501 /nfs/dbraw/zinc/11/55/01/529115501.db2.gz BYTOAHXLONCYEY-OAHLLOKOSA-N 1 2 299.415 1.170 20 30 CDEDLO CC1(C)C[N@@H+](CCNC(=O)N[C@]2(C)CCCOC2)CCO1 ZINC000329103031 529115504 /nfs/dbraw/zinc/11/55/04/529115504.db2.gz BYTOAHXLONCYEY-OAHLLOKOSA-N 1 2 299.415 1.170 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[S@](=O)[C@H](C)C2)ccc1C#N ZINC000335446371 545511026 /nfs/dbraw/zinc/51/10/26/545511026.db2.gz YTOYHMQXCCWZDX-XIKOKIGWSA-N 1 2 262.378 1.820 20 30 CDEDLO Cc1cc(C[N@H+]2CC[S@](=O)[C@H](C)C2)ccc1C#N ZINC000335446371 545511030 /nfs/dbraw/zinc/51/10/30/545511030.db2.gz YTOYHMQXCCWZDX-XIKOKIGWSA-N 1 2 262.378 1.820 20 30 CDEDLO C[C@@H](NC(=O)N1CCn2cc[nH+]c2C1)c1ccccn1 ZINC000329470619 538574346 /nfs/dbraw/zinc/57/43/46/538574346.db2.gz YJDUPHZKYQRHRP-LLVKDONJSA-N 1 2 271.324 1.769 20 30 CDEDLO CCOC(=O)C[N@H+](Cc1cc(C#N)n(C)c1)C1CCC1 ZINC000361595277 545577996 /nfs/dbraw/zinc/57/79/96/545577996.db2.gz UNTHFPGTLJNDEF-UHFFFAOYSA-N 1 2 275.352 1.814 20 30 CDEDLO CCOC(=O)C[N@@H+](Cc1cc(C#N)n(C)c1)C1CCC1 ZINC000361595277 545577998 /nfs/dbraw/zinc/57/79/98/545577998.db2.gz UNTHFPGTLJNDEF-UHFFFAOYSA-N 1 2 275.352 1.814 20 30 CDEDLO COCCO[NH+]=Cc1cnc(N2CCCC2)nc1 ZINC000748789484 574525478 /nfs/dbraw/zinc/52/54/78/574525478.db2.gz JSMDXVLOOXLVOB-UHFFFAOYSA-N 1 2 250.302 1.074 20 30 CDEDLO C#CC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000753906484 574934681 /nfs/dbraw/zinc/93/46/81/574934681.db2.gz DANUWXBKQDCREG-ZDUSSCGKSA-N 1 2 257.268 1.398 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(OC)cc2Cl)CC1 ZINC000731058440 575031262 /nfs/dbraw/zinc/03/12/62/575031262.db2.gz ADRXMNNKHZOTPM-UHFFFAOYSA-N 1 2 292.766 1.740 20 30 CDEDLO C=CC1CC[NH+](CN2C(=O)c3cccc(N)c3C2=O)CC1 ZINC000732181055 575082243 /nfs/dbraw/zinc/08/22/43/575082243.db2.gz JFSGRRBWTRALBB-UHFFFAOYSA-N 1 2 285.347 1.720 20 30 CDEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)NCCC#N ZINC000744405350 576679334 /nfs/dbraw/zinc/67/93/34/576679334.db2.gz KSKYPDPLHQXJPM-UHFFFAOYSA-N 1 2 264.373 1.668 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1C#N ZINC000735832958 575515825 /nfs/dbraw/zinc/51/58/25/575515825.db2.gz RYVCEFFQEUZQDW-UHFFFAOYSA-N 1 2 257.253 1.826 20 30 CDEDLO C[C@@H](C#N)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000736671153 575715996 /nfs/dbraw/zinc/71/59/96/575715996.db2.gz BDZPTRQVSHBVIS-NSHDSACASA-N 1 2 254.293 1.648 20 30 CDEDLO C#C[C@H](C)NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000773596503 575828689 /nfs/dbraw/zinc/82/86/89/575828689.db2.gz CFQYIXISPDUYSA-LBPRGKRZSA-N 1 2 277.393 1.597 20 30 CDEDLO C[C@H]1CC(=NNS(=O)(=O)c2ccc(F)cc2)C[N@@H+]1C ZINC000764723313 575938798 /nfs/dbraw/zinc/93/87/98/575938798.db2.gz RZHQKRKFYXHMBP-VIFPVBQESA-N 1 2 285.344 1.184 20 30 CDEDLO C[C@H]1CC(=NNS(=O)(=O)c2ccc(F)cc2)C[N@H+]1C ZINC000764723313 575938799 /nfs/dbraw/zinc/93/87/99/575938799.db2.gz RZHQKRKFYXHMBP-VIFPVBQESA-N 1 2 285.344 1.184 20 30 CDEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)NCCC#N ZINC000744405350 576679333 /nfs/dbraw/zinc/67/93/33/576679333.db2.gz KSKYPDPLHQXJPM-UHFFFAOYSA-N 1 2 264.373 1.668 20 30 CDEDLO C[C@@H]1CC(=Nn2c(=S)[nH][nH]c2=S)C[N@@H+]1C1CC1 ZINC000753954185 576869204 /nfs/dbraw/zinc/86/92/04/576869204.db2.gz BRWZGSFYNTWHNJ-ZCFIWIBFSA-N 1 2 269.399 1.316 20 30 CDEDLO C[C@@H]1CC(=Nn2c(=S)[nH][nH]c2=S)C[N@H+]1C1CC1 ZINC000753954185 576869205 /nfs/dbraw/zinc/86/92/05/576869205.db2.gz BRWZGSFYNTWHNJ-ZCFIWIBFSA-N 1 2 269.399 1.316 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C\SCc2ccco2)CC1 ZINC000753989501 576871967 /nfs/dbraw/zinc/87/19/67/576871967.db2.gz FBWYJJFEDYRUAV-XGICHPGQSA-N 1 2 290.388 1.804 20 30 CDEDLO C#CC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000754062214 576876819 /nfs/dbraw/zinc/87/68/19/576876819.db2.gz YYTQYMPDDIZJJD-UHFFFAOYSA-N 1 2 271.364 1.780 20 30 CDEDLO CO[C@@H](C)c1noc(CO[NH+]=C(N)c2ccc(F)cc2)n1 ZINC000747828560 576885923 /nfs/dbraw/zinc/88/59/23/576885923.db2.gz UTEJMVULAWCUFM-QMMMGPOBSA-N 1 2 294.286 1.753 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CC[C@@H](COCC)C2)c1=S ZINC000748094939 576895396 /nfs/dbraw/zinc/89/53/96/576895396.db2.gz OSAQIHFSTWIRTD-LLVKDONJSA-N 1 2 283.401 1.311 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CC[C@@H](COCC)C2)c1=S ZINC000748094939 576895397 /nfs/dbraw/zinc/89/53/97/576895397.db2.gz OSAQIHFSTWIRTD-LLVKDONJSA-N 1 2 283.401 1.311 20 30 CDEDLO COC(=O)C1CCC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)CC1 ZINC000754963875 576923373 /nfs/dbraw/zinc/92/33/73/576923373.db2.gz FPVSPJJHTBNHMF-OLPBLLBXSA-N 1 2 292.383 1.566 20 30 CDEDLO Cc1ccc2[nH+]cc(CN=Nc3cccnn3)n2c1 ZINC000755733257 576958009 /nfs/dbraw/zinc/95/80/09/576958009.db2.gz NXIGVQPDJWMHNZ-UHFFFAOYSA-N 1 2 252.281 1.879 20 30 CDEDLO COCCN(CCC#N)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000750049702 576973624 /nfs/dbraw/zinc/97/36/24/576973624.db2.gz FXMCTQBIHQCOFL-UHFFFAOYSA-N 1 2 285.351 1.629 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC)[C@@H]1CCCO1 ZINC000756104598 576977457 /nfs/dbraw/zinc/97/74/57/576977457.db2.gz AGCNNDHEVSGPPB-IHRRRGAJSA-N 1 2 264.369 1.158 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC)[C@@H]1CCCO1 ZINC000756104598 576977458 /nfs/dbraw/zinc/97/74/58/576977458.db2.gz AGCNNDHEVSGPPB-IHRRRGAJSA-N 1 2 264.369 1.158 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000756936471 577015882 /nfs/dbraw/zinc/01/58/82/577015882.db2.gz JJFSVCQYRQZMAH-UHFFFAOYSA-N 1 2 280.730 1.870 20 30 CDEDLO Nc1nc(Cl)c(C=[NH+]NC2CC2)c(N2CCCC2)n1 ZINC000758129409 577073495 /nfs/dbraw/zinc/07/34/95/577073495.db2.gz MODHQAGHHZLGKT-UHFFFAOYSA-N 1 2 280.763 1.398 20 30 CDEDLO C#CCNC(=S)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000758240833 577088726 /nfs/dbraw/zinc/08/87/26/577088726.db2.gz HBNSYRSEJGGHBT-UHFFFAOYSA-N 1 2 291.395 1.451 20 30 CDEDLO COc1ccc(NC(=O)CO[NH+]=C(N)c2ccccc2)cc1 ZINC000005295540 617202171 /nfs/dbraw/zinc/20/21/71/617202171.db2.gz RKMIDSSAPIWXBK-UHFFFAOYSA-N 1 2 299.330 1.971 20 30 CDEDLO C#C[C@@H](C)N(C)c1nc(NCC)[nH+]c(NC(C)(C)C)n1 ZINC000804660006 617213439 /nfs/dbraw/zinc/21/34/39/617213439.db2.gz CNIHSRPIZWHJFU-SNVBAGLBSA-N 1 2 276.388 1.394 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc3c(c2)CCO3)C1 ZINC000952322918 612991959 /nfs/dbraw/zinc/99/19/59/612991959.db2.gz ULAOIMOFQPRCPD-UHFFFAOYSA-N 1 2 298.386 1.791 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2cnc(C)s2)CC1 ZINC000980813913 613159539 /nfs/dbraw/zinc/15/95/39/613159539.db2.gz CJTMGGGMAFYQLN-UHFFFAOYSA-N 1 2 263.366 1.233 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2cnc(C)s2)CC1 ZINC000980813913 613159540 /nfs/dbraw/zinc/15/95/40/613159540.db2.gz CJTMGGGMAFYQLN-UHFFFAOYSA-N 1 2 263.366 1.233 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2sccc2F)C1 ZINC000965997074 613250734 /nfs/dbraw/zinc/25/07/34/613250734.db2.gz VZRMREGAFQJZMM-JQWIXIFHSA-N 1 2 280.368 1.961 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2sccc2F)C1 ZINC000965997074 613250737 /nfs/dbraw/zinc/25/07/37/613250737.db2.gz VZRMREGAFQJZMM-JQWIXIFHSA-N 1 2 280.368 1.961 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ncc(Cl)s2)C1 ZINC000967358290 613255662 /nfs/dbraw/zinc/25/56/62/613255662.db2.gz QQEABHNHGHNVNB-VHSXEESVSA-N 1 2 297.811 1.870 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ncc(Cl)s2)C1 ZINC000967358290 613255665 /nfs/dbraw/zinc/25/56/65/613255665.db2.gz QQEABHNHGHNVNB-VHSXEESVSA-N 1 2 297.811 1.870 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2scnc2Cl)C(C)(C)C1 ZINC000977607277 613285835 /nfs/dbraw/zinc/28/58/35/613285835.db2.gz FTTTTYHSTLOISV-SECBINFHSA-N 1 2 297.811 1.870 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2scnc2Cl)C(C)(C)C1 ZINC000977607277 613285836 /nfs/dbraw/zinc/28/58/36/613285836.db2.gz FTTTTYHSTLOISV-SECBINFHSA-N 1 2 297.811 1.870 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cn(CCC)nn2)C1 ZINC000957051014 613297012 /nfs/dbraw/zinc/29/70/12/613297012.db2.gz AOPPPLSDMOMMPI-UHFFFAOYSA-N 1 2 291.399 1.411 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](OC)C(C)C)CC1 ZINC000950035580 613317914 /nfs/dbraw/zinc/31/79/14/613317914.db2.gz ZLUNBBXABXUUSH-ZDUSSCGKSA-N 1 2 254.374 1.378 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnc3n2CCC3)CC1 ZINC000948828951 613321899 /nfs/dbraw/zinc/32/18/99/613321899.db2.gz ZAXDMLYPPCYHPC-UHFFFAOYSA-N 1 2 274.368 1.163 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccco2)C1 ZINC000957783854 613381084 /nfs/dbraw/zinc/38/10/84/613381084.db2.gz NHXPGOWTZJMTSG-MNOVXSKESA-N 1 2 284.743 1.055 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccco2)C1 ZINC000957783854 613381085 /nfs/dbraw/zinc/38/10/85/613381085.db2.gz NHXPGOWTZJMTSG-MNOVXSKESA-N 1 2 284.743 1.055 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccnn2)C(C)(C)C1 ZINC000977374906 613381147 /nfs/dbraw/zinc/38/11/47/613381147.db2.gz CDBFQJFKFPDHGT-LBPRGKRZSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccnn2)C(C)(C)C1 ZINC000977374906 613381148 /nfs/dbraw/zinc/38/11/48/613381148.db2.gz CDBFQJFKFPDHGT-LBPRGKRZSA-N 1 2 294.786 1.669 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(OC)CCCCCC1 ZINC000890837794 617341288 /nfs/dbraw/zinc/34/12/88/617341288.db2.gz NVCIAHDCMZBTQI-HNNXBMFYSA-N 1 2 292.423 1.940 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(OC)CCCCCC1 ZINC000890837794 617341289 /nfs/dbraw/zinc/34/12/89/617341289.db2.gz NVCIAHDCMZBTQI-HNNXBMFYSA-N 1 2 292.423 1.940 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2conc2CC)CC1 ZINC000981906071 613555779 /nfs/dbraw/zinc/55/57/79/613555779.db2.gz ZSOTWORYRICJJA-UHFFFAOYSA-N 1 2 275.352 1.408 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2conc2CC)CC1 ZINC000981906071 613555780 /nfs/dbraw/zinc/55/57/80/613555780.db2.gz ZSOTWORYRICJJA-UHFFFAOYSA-N 1 2 275.352 1.408 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CC[C@H]2CCCCO2)CC1 ZINC000951108565 613561900 /nfs/dbraw/zinc/56/19/00/613561900.db2.gz XELLRTGCSAQVQB-OAHLLOKOSA-N 1 2 278.396 1.503 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(F)=C(C)C)C2)C1 ZINC000972339973 613569977 /nfs/dbraw/zinc/56/99/77/613569977.db2.gz STLNZXBNQFHANR-INIZCTEOSA-N 1 2 294.370 1.576 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(F)=C(C)C)C2)C1 ZINC000972339973 613569978 /nfs/dbraw/zinc/56/99/78/613569978.db2.gz STLNZXBNQFHANR-INIZCTEOSA-N 1 2 294.370 1.576 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC3CCC3)C2)C1 ZINC000972321174 613570711 /nfs/dbraw/zinc/57/07/11/613570711.db2.gz SYDXPKZUTLKLDM-QGZVFWFLSA-N 1 2 290.407 1.503 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)CC3CCC3)C2)C1 ZINC000972321174 613570712 /nfs/dbraw/zinc/57/07/12/613570712.db2.gz SYDXPKZUTLKLDM-QGZVFWFLSA-N 1 2 290.407 1.503 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCO[C@H]2C)C1 ZINC000957043452 613655458 /nfs/dbraw/zinc/65/54/58/613655458.db2.gz AHTMUTXULPIKJY-AAEUAGOBSA-N 1 2 252.358 1.130 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CO[C@H]2CCCC[C@H]2C)CC1 ZINC000951130753 613708382 /nfs/dbraw/zinc/70/83/82/613708382.db2.gz NJWJATBLUVNSHP-CABCVRRESA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cn2cc3ccccc3n2)CC1 ZINC000957368172 613709813 /nfs/dbraw/zinc/70/98/13/613709813.db2.gz KNIXPZIMTDGSHH-UHFFFAOYSA-N 1 2 284.363 1.367 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)CC1 ZINC000951381013 613711915 /nfs/dbraw/zinc/71/19/15/613711915.db2.gz MYKXJDRETIRSSC-GVDBMIGSSA-N 1 2 282.387 1.903 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCC[C@@H]2OC)CC1 ZINC000957861026 613712919 /nfs/dbraw/zinc/71/29/19/613712919.db2.gz IBUXTBKCNHAZHK-KBPBESRZSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2Oc3ccccc3[C@@H]2C)CC1 ZINC000957918204 613713568 /nfs/dbraw/zinc/71/35/68/613713568.db2.gz XBFRJKIQKWBKDV-BBRMVZONSA-N 1 2 286.375 1.881 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3c(c2)C[C@H](C)O3)CC1 ZINC000951758053 613716104 /nfs/dbraw/zinc/71/61/04/613716104.db2.gz FNUYUPWHDJZSMA-ZDUSSCGKSA-N 1 2 286.375 1.954 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](OC)C(C)C)C2)C1 ZINC000972532481 613723202 /nfs/dbraw/zinc/72/32/02/613723202.db2.gz RVQWWEZELHVGGF-HOCLYGCPSA-N 1 2 296.411 1.147 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](OC)C(C)C)C2)C1 ZINC000972532481 613723206 /nfs/dbraw/zinc/72/32/06/613723206.db2.gz RVQWWEZELHVGGF-HOCLYGCPSA-N 1 2 296.411 1.147 20 30 CDEDLO C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC000967158171 613771044 /nfs/dbraw/zinc/77/10/44/613771044.db2.gz UFWLYKRLCHQQRE-FZMZJTMJSA-N 1 2 288.395 1.525 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC000967158171 613771046 /nfs/dbraw/zinc/77/10/46/613771046.db2.gz UFWLYKRLCHQQRE-FZMZJTMJSA-N 1 2 288.395 1.525 20 30 CDEDLO CCC(=[NH+]N(C)C(=S)NC)c1cccc(N)c1 ZINC000841646738 617585159 /nfs/dbraw/zinc/58/51/59/617585159.db2.gz MMEUGIFUILLHDL-UHFFFAOYSA-N 1 2 250.371 1.819 20 30 CDEDLO C[C@H]([NH2+]CC#Cc1ccccc1)c1nnc2n1CCC2 ZINC000893396957 617801924 /nfs/dbraw/zinc/80/19/24/617801924.db2.gz NJBSBRQLLFDQOU-ZDUSSCGKSA-N 1 2 266.348 1.927 20 30 CDEDLO O=C(C#CC1CC1)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910776549 618498569 /nfs/dbraw/zinc/49/85/69/618498569.db2.gz IABZGMZNQDOLMI-UHFFFAOYSA-N 1 2 280.371 1.887 20 30 CDEDLO O=C(C#CC1CC1)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910776549 618498573 /nfs/dbraw/zinc/49/85/73/618498573.db2.gz IABZGMZNQDOLMI-UHFFFAOYSA-N 1 2 280.371 1.887 20 30 CDEDLO C[N@@H+]1CC[C@@H]1CNc1ncc(C#N)cc1Br ZINC000895767902 619834559 /nfs/dbraw/zinc/83/45/59/619834559.db2.gz UDWSTOPAJHRIGQ-SECBINFHSA-N 1 2 281.157 1.832 20 30 CDEDLO C[N@H+]1CC[C@@H]1CNc1ncc(C#N)cc1Br ZINC000895767902 619834560 /nfs/dbraw/zinc/83/45/60/619834560.db2.gz UDWSTOPAJHRIGQ-SECBINFHSA-N 1 2 281.157 1.832 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[NH+](CCOCC)CC2)cc1 ZINC000896289006 620046482 /nfs/dbraw/zinc/04/64/82/620046482.db2.gz OGNWIISIUFOSFI-UHFFFAOYSA-N 1 2 286.375 1.462 20 30 CDEDLO C=CCN(CCc1ccco1)C(=O)Cc1c[nH+]c[nH]1 ZINC000901362809 624199857 /nfs/dbraw/zinc/19/98/57/624199857.db2.gz CIPYTHSYIYQEBD-UHFFFAOYSA-N 1 2 259.309 1.803 20 30 CDEDLO CCOCC[NH+]1CCN(C(=O)c2ccsc2C#N)CC1 ZINC000906639026 627353010 /nfs/dbraw/zinc/35/30/10/627353010.db2.gz FMVHUFIMXUWINH-UHFFFAOYSA-N 1 2 293.392 1.414 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000907525284 627699327 /nfs/dbraw/zinc/69/93/27/627699327.db2.gz KDIRXDBXWNXOLQ-DYEKYZERSA-N 1 2 275.352 1.295 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913462064 630499599 /nfs/dbraw/zinc/49/95/99/630499599.db2.gz DIHYPNYSKCMYKH-UKRRQHHQSA-N 1 2 276.384 1.495 20 30 CDEDLO CCOc1ccc(/C=N/CC[NH+]2CCOCC2)c(O)c1 ZINC000920942543 632859056 /nfs/dbraw/zinc/85/90/56/632859056.db2.gz JIBJLZPUBOTJBE-FOWTUZBSSA-N 1 2 278.352 1.542 20 30 CDEDLO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC001772506395 1158487099 /nfs/dbraw/zinc/48/70/99/1158487099.db2.gz TXTNUPPZDPFRTL-LBPRGKRZSA-N 1 2 287.367 1.851 20 30 CDEDLO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC001772506395 1158487105 /nfs/dbraw/zinc/48/71/05/1158487105.db2.gz TXTNUPPZDPFRTL-LBPRGKRZSA-N 1 2 287.367 1.851 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccncc1 ZINC001754299942 1159080094 /nfs/dbraw/zinc/08/00/94/1159080094.db2.gz ZRILCJAZTZCEEW-LLVKDONJSA-N 1 2 267.760 1.884 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccncc1 ZINC001754299942 1159080103 /nfs/dbraw/zinc/08/01/03/1159080103.db2.gz ZRILCJAZTZCEEW-LLVKDONJSA-N 1 2 267.760 1.884 20 30 CDEDLO N#Cc1ccc(C[NH2+]c2ccc3c(=O)[nH]cc-3[nH]2)s1 ZINC001170199385 1162305795 /nfs/dbraw/zinc/30/57/95/1162305795.db2.gz PZKLHDXTYFJADM-UHFFFAOYSA-N 1 2 270.317 1.870 20 30 CDEDLO C#Cc1cncc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000807063361 1162730190 /nfs/dbraw/zinc/73/01/90/1162730190.db2.gz SAROEVYPJQSQMS-XJKSGUPXSA-N 1 2 294.358 1.983 20 30 CDEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2nccn2C)C1 ZINC001131899841 1163101308 /nfs/dbraw/zinc/10/13/08/1163101308.db2.gz QRGLRJHSTXEPOC-KGLIPLIRSA-N 1 2 290.411 1.855 20 30 CDEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2nccn2C)C1 ZINC001131899841 1163101314 /nfs/dbraw/zinc/10/13/14/1163101314.db2.gz QRGLRJHSTXEPOC-KGLIPLIRSA-N 1 2 290.411 1.855 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C1(COC)CC1 ZINC001409590816 1160859972 /nfs/dbraw/zinc/85/99/72/1160859972.db2.gz RPZHOQNUPAUUGS-LLVKDONJSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C1(COC)CC1 ZINC001409590816 1160859978 /nfs/dbraw/zinc/85/99/78/1160859978.db2.gz RPZHOQNUPAUUGS-LLVKDONJSA-N 1 2 274.792 1.602 20 30 CDEDLO C[C@]1([NH2+]CCCOc2ccc(C#N)cc2)CCOC1=O ZINC000810094463 1163160783 /nfs/dbraw/zinc/16/07/83/1163160783.db2.gz CXZSBRHXMLVFFV-HNNXBMFYSA-N 1 2 274.320 1.622 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC001030607921 1161033317 /nfs/dbraw/zinc/03/33/17/1161033317.db2.gz UYPIJXMXARCKRW-UHFFFAOYSA-N 1 2 282.347 1.309 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H]1C ZINC000993688157 1161186529 /nfs/dbraw/zinc/18/65/29/1161186529.db2.gz NFUXVLXLXMAEED-RGDJUOJXSA-N 1 2 298.814 1.600 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H]1C ZINC000993688157 1161186533 /nfs/dbraw/zinc/18/65/33/1161186533.db2.gz NFUXVLXLXMAEED-RGDJUOJXSA-N 1 2 298.814 1.600 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001108085470 1161493499 /nfs/dbraw/zinc/49/34/99/1161493499.db2.gz ZXGYIDCIBGDQSY-VNQPRFMTSA-N 1 2 278.396 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001108085470 1161493501 /nfs/dbraw/zinc/49/35/01/1161493501.db2.gz ZXGYIDCIBGDQSY-VNQPRFMTSA-N 1 2 278.396 1.570 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Nc2cccc(C)c2C#N)C[NH2+]1 ZINC001169131317 1161999094 /nfs/dbraw/zinc/99/90/94/1161999094.db2.gz YYQDEDDCRAZTLV-MFKMUULPSA-N 1 2 259.309 1.182 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)C2(C(F)F)CC2)CC1 ZINC001112851154 1162055155 /nfs/dbraw/zinc/05/51/55/1162055155.db2.gz XQKHBJGCLAWTDE-UHFFFAOYSA-N 1 2 288.338 1.379 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)C(C)(C)CCOC)CC1 ZINC001113481585 1162185989 /nfs/dbraw/zinc/18/59/89/1162185989.db2.gz FLMPAUGTMDPKHK-UHFFFAOYSA-N 1 2 298.427 1.396 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C)CC=CC2)[C@@H](O)C1 ZINC001090550445 1164221304 /nfs/dbraw/zinc/22/13/04/1164221304.db2.gz RYMDWCOFIFQQKB-OLZOCXBDSA-N 1 2 298.814 1.647 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CC=CC2)[C@@H](O)C1 ZINC001090550445 1164221313 /nfs/dbraw/zinc/22/13/13/1164221313.db2.gz RYMDWCOFIFQQKB-OLZOCXBDSA-N 1 2 298.814 1.647 20 30 CDEDLO C#C[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)[C@H]1CCCO1 ZINC000775784566 1164410364 /nfs/dbraw/zinc/41/03/64/1164410364.db2.gz KGLXXAFRXPOKEH-BBWFWOEESA-N 1 2 298.386 1.777 20 30 CDEDLO COC/C=C\C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000864537853 1164554348 /nfs/dbraw/zinc/55/43/48/1164554348.db2.gz OBUBCJZCPUMMNG-IHWYPQMZSA-N 1 2 299.374 1.405 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)CCCO1 ZINC001249691569 1167414449 /nfs/dbraw/zinc/41/44/49/1167414449.db2.gz PAGQACWRUVYQOL-ZDUSSCGKSA-N 1 2 292.310 1.461 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)CCCO1 ZINC001249691569 1167414452 /nfs/dbraw/zinc/41/44/52/1167414452.db2.gz PAGQACWRUVYQOL-ZDUSSCGKSA-N 1 2 292.310 1.461 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC001589788504 1173180984 /nfs/dbraw/zinc/18/09/84/1173180984.db2.gz ZRTNQHAYRHPPSV-ZJUUUORDSA-N 1 2 299.338 1.085 20 30 CDEDLO N#CC1(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001592670219 1173960331 /nfs/dbraw/zinc/96/03/31/1173960331.db2.gz WCAVITAFULNPCR-UHFFFAOYSA-N 1 2 272.287 1.399 20 30 CDEDLO Nc1ccc(C=CC(=O)c2ccc(-c3nn[nH]n3)cc2)c[nH+]1 ZINC001592758947 1173986356 /nfs/dbraw/zinc/98/63/56/1173986356.db2.gz FGYVJPCQGNTVQX-LREOWRDNSA-N 1 2 292.302 1.740 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@@H]1CCCO1 ZINC001690925700 1175611519 /nfs/dbraw/zinc/61/15/19/1175611519.db2.gz UMQLZFKUWPVZML-NSHDSACASA-N 1 2 260.765 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@@H]1CCCO1 ZINC001690925700 1175611523 /nfs/dbraw/zinc/61/15/23/1175611523.db2.gz UMQLZFKUWPVZML-NSHDSACASA-N 1 2 260.765 1.356 20 30 CDEDLO C#CC[N@H+](CC)CCCNC(=O)C(F)C(F)(F)F ZINC001752183399 1184831695 /nfs/dbraw/zinc/83/16/95/1184831695.db2.gz JZRHANMGSHGTSY-VIFPVBQESA-N 1 2 268.254 1.348 20 30 CDEDLO C#CC[N@@H+](CC)CCCNC(=O)C(F)C(F)(F)F ZINC001752183399 1184831701 /nfs/dbraw/zinc/83/17/01/1184831701.db2.gz JZRHANMGSHGTSY-VIFPVBQESA-N 1 2 268.254 1.348 20 30 CDEDLO C#CC[N@H+](CC)CCCNC(=O)[C@H](F)C(F)(F)F ZINC001752183399 1184831706 /nfs/dbraw/zinc/83/17/06/1184831706.db2.gz JZRHANMGSHGTSY-VIFPVBQESA-N 1 2 268.254 1.348 20 30 CDEDLO C#CC[N@@H+](CC)CCCNC(=O)[C@H](F)C(F)(F)F ZINC001752183399 1184831712 /nfs/dbraw/zinc/83/17/12/1184831712.db2.gz JZRHANMGSHGTSY-VIFPVBQESA-N 1 2 268.254 1.348 20 30 CDEDLO Cc1cccc(C[NH+]2CC(NC(=O)C#CC3CC3)C2)c1 ZINC001753375984 1185176181 /nfs/dbraw/zinc/17/61/81/1185176181.db2.gz BSYMEQGRMRVIIZ-UHFFFAOYSA-N 1 2 268.360 1.709 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](F)C(C)C)C1 ZINC001753408244 1185190703 /nfs/dbraw/zinc/19/07/03/1185190703.db2.gz JORBPMZOTZAADN-LLVKDONJSA-N 1 2 262.756 1.781 20 30 CDEDLO C=CCCC(=O)NC/C=C\C[NH2+]Cc1nn(C)cc1Cl ZINC001754101091 1185463530 /nfs/dbraw/zinc/46/35/30/1185463530.db2.gz GYKSQEHAANOTGG-WAYWQWQTSA-N 1 2 296.802 1.802 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@H]1COC2(C[NH+](CCCF)C2)C1 ZINC001755064544 1185803254 /nfs/dbraw/zinc/80/32/54/1185803254.db2.gz YWCCOLOUOCWCFE-CYBMUJFWSA-N 1 2 298.402 1.908 20 30 CDEDLO C#CCCCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nc(C)no1 ZINC001755235243 1185869562 /nfs/dbraw/zinc/86/95/62/1185869562.db2.gz ZYAGJHSMPNJCKO-WDEREUQCSA-N 1 2 278.356 1.164 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nnc(C)o1 ZINC001755259052 1185879523 /nfs/dbraw/zinc/87/95/23/1185879523.db2.gz YWQKSTBDWSDSQX-GHMZBOCLSA-N 1 2 294.399 1.963 20 30 CDEDLO C[C@@H](CCC[NH2+]CC(F)(F)C(F)F)NC(=O)[C@@H](C)C#N ZINC001755490481 1185969210 /nfs/dbraw/zinc/96/92/10/1185969210.db2.gz RAYJDKXTFLHRLN-IUCAKERBSA-N 1 2 297.296 1.921 20 30 CDEDLO Cc1ccn(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c(=O)c1C#N ZINC001771651624 1186738078 /nfs/dbraw/zinc/73/80/78/1186738078.db2.gz JZBUGCGPUWCABE-ZFWWWQNUSA-N 1 2 287.363 1.487 20 30 CDEDLO Cc1ccn(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c(=O)c1C#N ZINC001771651624 1186738082 /nfs/dbraw/zinc/73/80/82/1186738082.db2.gz JZBUGCGPUWCABE-ZFWWWQNUSA-N 1 2 287.363 1.487 20 30 CDEDLO Cc1ccn(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c(=O)c1C#N ZINC001771651623 1186738722 /nfs/dbraw/zinc/73/87/22/1186738722.db2.gz JZBUGCGPUWCABE-UKRRQHHQSA-N 1 2 287.363 1.487 20 30 CDEDLO Cc1ccn(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c(=O)c1C#N ZINC001771651623 1186738728 /nfs/dbraw/zinc/73/87/28/1186738728.db2.gz JZBUGCGPUWCABE-UKRRQHHQSA-N 1 2 287.363 1.487 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)COC(C)C ZINC001317477910 957501924 /nfs/dbraw/zinc/50/19/24/957501924.db2.gz ZBZOKDCFSJMPDM-UHFFFAOYSA-N 1 2 262.781 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)COC(C)C ZINC001317477910 957501930 /nfs/dbraw/zinc/50/19/30/957501930.db2.gz ZBZOKDCFSJMPDM-UHFFFAOYSA-N 1 2 262.781 1.602 20 30 CDEDLO C=CC[NH+]1CCN(c2[nH]c3cc(=O)[nH]c-3cc2Cl)CC1 ZINC001165031741 721867248 /nfs/dbraw/zinc/86/72/48/721867248.db2.gz SXIFUKQBHAGTEM-UHFFFAOYSA-N 1 2 292.770 1.538 20 30 CDEDLO S=C(NN=C1C[NH+]2CCC1CC2)NC1CCCCC1 ZINC000864094855 1164509458 /nfs/dbraw/zinc/50/94/58/1164509458.db2.gz JAIYGDHYNSAQQE-UHFFFAOYSA-N 1 2 280.441 1.865 20 30 CDEDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(F)cc3C#N)C[C@@H]21 ZINC000794966690 1164840592 /nfs/dbraw/zinc/84/05/92/1164840592.db2.gz HKFSRODMSPCWSM-WDNDVIMCSA-N 1 2 274.295 1.548 20 30 CDEDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc(F)cc3C#N)C[C@@H]21 ZINC000794966690 1164840596 /nfs/dbraw/zinc/84/05/96/1164840596.db2.gz HKFSRODMSPCWSM-WDNDVIMCSA-N 1 2 274.295 1.548 20 30 CDEDLO C[C@H](O)CC[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876746223 1165906521 /nfs/dbraw/zinc/90/65/21/1165906521.db2.gz PFXDYWPBNLYYTQ-VIFPVBQESA-N 1 2 253.733 1.809 20 30 CDEDLO C[C@H](O)CC[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876746223 1165906527 /nfs/dbraw/zinc/90/65/27/1165906527.db2.gz PFXDYWPBNLYYTQ-VIFPVBQESA-N 1 2 253.733 1.809 20 30 CDEDLO C[C@@H](CCC#N)C[NH2+]c1ccc(N2CCNC(=O)C2)cc1 ZINC000876821904 1165922531 /nfs/dbraw/zinc/92/25/31/1165922531.db2.gz RUYPVFORYNYVRG-ZDUSSCGKSA-N 1 2 286.379 1.975 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000878817465 1166254167 /nfs/dbraw/zinc/25/41/67/1166254167.db2.gz ULLLAEXYZSDDBW-CYBMUJFWSA-N 1 2 288.395 1.603 20 30 CDEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2COCCOC ZINC001273995601 1166514773 /nfs/dbraw/zinc/51/47/73/1166514773.db2.gz KLTBFCDBNDYJET-MRXNPFEDSA-N 1 2 296.411 1.640 20 30 CDEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2COCCOC ZINC001273995601 1166514782 /nfs/dbraw/zinc/51/47/82/1166514782.db2.gz KLTBFCDBNDYJET-MRXNPFEDSA-N 1 2 296.411 1.640 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)Nc1ccn(CCC#N)n1 ZINC001646947278 1168280278 /nfs/dbraw/zinc/28/02/78/1168280278.db2.gz VGIIDCKZWNHWOO-UHFFFAOYSA-N 1 2 272.312 1.102 20 30 CDEDLO COC(=O)[C@H]([NH3+])Cc1cn(C2CCC(CC#N)CC2)cn1 ZINC001173332356 912429812 /nfs/dbraw/zinc/42/98/12/912429812.db2.gz LNUSCFISQIXCAV-UXUKBGGZSA-N 1 2 290.367 1.571 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2COc3cc(C)c(C)cc32)C1 ZINC001030743170 912668101 /nfs/dbraw/zinc/66/81/01/912668101.db2.gz CXYLKWNYUOYODA-MRXNPFEDSA-N 1 2 298.386 1.603 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)CC2CC(OCC)C2)C1 ZINC001030828083 912821712 /nfs/dbraw/zinc/82/17/12/912821712.db2.gz UXJBOUGVKKCIAG-UHFFFAOYSA-N 1 2 252.358 1.178 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001030841656 912870547 /nfs/dbraw/zinc/87/05/47/912870547.db2.gz LAHILFXDSNJGDR-NSHDSACASA-N 1 2 270.323 1.636 20 30 CDEDLO CCN(CCO)[NH+]=C(C)c1cc(F)c(N)c(F)c1 ZINC000842537542 913354502 /nfs/dbraw/zinc/35/45/02/913354502.db2.gz BVATVICEYQFFKW-UHFFFAOYSA-N 1 2 257.284 1.585 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccsc2Cl)C1 ZINC001031054796 913518498 /nfs/dbraw/zinc/51/84/98/913518498.db2.gz ZCIRCTABWDMWPS-UHFFFAOYSA-N 1 2 268.769 1.839 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc3c(c2)COC3)C1 ZINC001031091315 913579915 /nfs/dbraw/zinc/57/99/15/913579915.db2.gz CGSPESFJQZDGER-UHFFFAOYSA-N 1 2 272.348 1.707 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCO[C@@H](C)C2)C1 ZINC001031153595 913773403 /nfs/dbraw/zinc/77/34/03/913773403.db2.gz RRYMXUCYPMABAM-NWDGAFQWSA-N 1 2 252.358 1.178 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@@H](C)SC ZINC001266267848 894005117 /nfs/dbraw/zinc/00/51/17/894005117.db2.gz QXOQRHGZNVAXHU-SNVBAGLBSA-N 1 2 264.822 1.929 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@@H](C)SC ZINC001266267848 894005140 /nfs/dbraw/zinc/00/51/40/894005140.db2.gz QXOQRHGZNVAXHU-SNVBAGLBSA-N 1 2 264.822 1.929 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1[nH]nnc1-c1ccccc1 ZINC001039057076 894431704 /nfs/dbraw/zinc/43/17/04/894431704.db2.gz PQWGCJGNLNUBRL-ZDUSSCGKSA-N 1 2 297.362 1.462 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1[nH]nnc1-c1ccccc1 ZINC001039057076 894431710 /nfs/dbraw/zinc/43/17/10/894431710.db2.gz PQWGCJGNLNUBRL-ZDUSSCGKSA-N 1 2 297.362 1.462 20 30 CDEDLO C#CCOCCC(=O)N[C@@H](C)CCNc1cc[nH+]c(C)n1 ZINC001106441864 913929087 /nfs/dbraw/zinc/92/90/87/913929087.db2.gz GNSHEKJCPVSWJH-LBPRGKRZSA-N 1 2 290.367 1.132 20 30 CDEDLO Nc1ccccc1C(NO)=[NH+]c1cnc(N2CCC2)nc1 ZINC001210724878 895400386 /nfs/dbraw/zinc/40/03/86/895400386.db2.gz QSXSHGDJVJZZTL-UHFFFAOYSA-N 1 2 284.323 1.326 20 30 CDEDLO Cc1nc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)cs1 ZINC000971212412 895793799 /nfs/dbraw/zinc/79/37/99/895793799.db2.gz YOUHJKDJEKLUNY-GWCFXTLKSA-N 1 2 292.408 1.644 20 30 CDEDLO Cc1nc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)cs1 ZINC000971212412 895793817 /nfs/dbraw/zinc/79/38/17/895793817.db2.gz YOUHJKDJEKLUNY-GWCFXTLKSA-N 1 2 292.408 1.644 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCCc1[nH+]ccn1C)OCC ZINC001350488949 897196621 /nfs/dbraw/zinc/19/66/21/897196621.db2.gz PWRQHQNJPJRFJS-GFCCVEGCSA-N 1 2 265.357 1.450 20 30 CDEDLO C#Cc1cc(Nc2cnn(C(C)(C)CO)c2)cc[nH+]1 ZINC001213396369 897527709 /nfs/dbraw/zinc/52/77/09/897527709.db2.gz JIAMWZBQGJTUQZ-UHFFFAOYSA-N 1 2 256.309 1.152 20 30 CDEDLO N#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024487087 898079947 /nfs/dbraw/zinc/07/99/47/898079947.db2.gz LPMZRZBMWJLYPS-JHJVBQTASA-N 1 2 287.367 1.007 20 30 CDEDLO N#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024487087 898079959 /nfs/dbraw/zinc/07/99/59/898079959.db2.gz LPMZRZBMWJLYPS-JHJVBQTASA-N 1 2 287.367 1.007 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnn1C1CCCC1 ZINC001038314359 898255848 /nfs/dbraw/zinc/25/58/48/898255848.db2.gz HAWPJSFOWCXYBS-CQSZACIVSA-N 1 2 286.379 1.436 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnn1C1CCCC1 ZINC001038314359 898255860 /nfs/dbraw/zinc/25/58/60/898255860.db2.gz HAWPJSFOWCXYBS-CQSZACIVSA-N 1 2 286.379 1.436 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(F)c1 ZINC001018241960 898668682 /nfs/dbraw/zinc/66/86/82/898668682.db2.gz ONTDDKYMOVPYFL-IYBDPMFKSA-N 1 2 286.350 1.677 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(F)c1 ZINC001018241960 898668687 /nfs/dbraw/zinc/66/86/87/898668687.db2.gz ONTDDKYMOVPYFL-IYBDPMFKSA-N 1 2 286.350 1.677 20 30 CDEDLO N#Cc1ccc(C(=O)NCCCCn2cc[nH+]c2)o1 ZINC000311578865 898858452 /nfs/dbraw/zinc/85/84/52/898858452.db2.gz WLPRSMIJJLPWQZ-UHFFFAOYSA-N 1 2 258.281 1.558 20 30 CDEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCC)C[C@@H]21 ZINC001176881443 914335235 /nfs/dbraw/zinc/33/52/35/914335235.db2.gz DXRAZHCSZCEFJU-LSDHHAIUSA-N 1 2 296.411 1.291 20 30 CDEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCC)C[C@@H]21 ZINC001176881443 914335252 /nfs/dbraw/zinc/33/52/52/914335252.db2.gz DXRAZHCSZCEFJU-LSDHHAIUSA-N 1 2 296.411 1.291 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@@H+](CC(=C)C)[C@H]2C1 ZINC001176954626 914393269 /nfs/dbraw/zinc/39/32/69/914393269.db2.gz GSKLATNWMKVAOP-LSDHHAIUSA-N 1 2 278.396 1.830 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@H+](CC(=C)C)[C@H]2C1 ZINC001176954626 914393284 /nfs/dbraw/zinc/39/32/84/914393284.db2.gz GSKLATNWMKVAOP-LSDHHAIUSA-N 1 2 278.396 1.830 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCCC)C[C@H]21 ZINC001176917016 914396926 /nfs/dbraw/zinc/39/69/26/914396926.db2.gz BDTDAXSCGITYRO-CABCVRRESA-N 1 2 278.396 1.502 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCCC)C[C@H]21 ZINC001176917016 914396945 /nfs/dbraw/zinc/39/69/45/914396945.db2.gz BDTDAXSCGITYRO-CABCVRRESA-N 1 2 278.396 1.502 20 30 CDEDLO CC(=O)/C=C(/C)NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176971862 914410278 /nfs/dbraw/zinc/41/02/78/914410278.db2.gz YVYKSCCOLFMFSG-GAJOTYCWSA-N 1 2 287.363 1.907 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(OC)c2OC)C1 ZINC001031305480 914415644 /nfs/dbraw/zinc/41/56/44/914415644.db2.gz XDUWKTKWFALIAA-UHFFFAOYSA-N 1 2 288.347 1.141 20 30 CDEDLO C#CCCCCC(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001125951774 900231842 /nfs/dbraw/zinc/23/18/42/900231842.db2.gz VRDKGOJUQJEKAD-LLVKDONJSA-N 1 2 278.356 1.338 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCNC(=O)[C@H]2C(C)C)cc1 ZINC000093055157 900359598 /nfs/dbraw/zinc/35/95/98/900359598.db2.gz BCSIDQSLRMCFIS-MRXNPFEDSA-N 1 2 286.375 1.655 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCNC(=O)[C@H]2C(C)C)cc1 ZINC000093055157 900359603 /nfs/dbraw/zinc/35/96/03/900359603.db2.gz BCSIDQSLRMCFIS-MRXNPFEDSA-N 1 2 286.375 1.655 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@H]2OCC[N@H+](CCCO)[C@H]2C1 ZINC001177025458 914438412 /nfs/dbraw/zinc/43/84/12/914438412.db2.gz QUJBRGPTLHMNFD-LSDHHAIUSA-N 1 2 296.411 1.027 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@H]2OCC[N@@H+](CCCO)[C@H]2C1 ZINC001177025458 914438417 /nfs/dbraw/zinc/43/84/17/914438417.db2.gz QUJBRGPTLHMNFD-LSDHHAIUSA-N 1 2 296.411 1.027 20 30 CDEDLO C#CC[N@@H+](C)[C@H]1CCCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC001027669104 900732177 /nfs/dbraw/zinc/73/21/77/900732177.db2.gz CSFBJJMGKNRIRG-ZDUSSCGKSA-N 1 2 296.374 1.733 20 30 CDEDLO C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC001027669104 900732192 /nfs/dbraw/zinc/73/21/92/900732192.db2.gz CSFBJJMGKNRIRG-ZDUSSCGKSA-N 1 2 296.374 1.733 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C2CCC(C(F)F)CC2)C1 ZINC001031330771 914526709 /nfs/dbraw/zinc/52/67/09/914526709.db2.gz PITHWEOVOMJZHA-UHFFFAOYSA-N 1 2 284.350 1.882 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(OCC)cc2)C1 ZINC001031334804 914531132 /nfs/dbraw/zinc/53/11/32/914531132.db2.gz MKSRDXSAWSGWNH-UHFFFAOYSA-N 1 2 272.348 1.523 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc(OCC)cc2)C1 ZINC001031351084 914545895 /nfs/dbraw/zinc/54/58/95/914545895.db2.gz XLNSYKGEKKNLRU-UHFFFAOYSA-N 1 2 286.375 1.452 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnc(COC)s1 ZINC001028350144 902285392 /nfs/dbraw/zinc/28/53/92/902285392.db2.gz DQEUEPSTKFOOOJ-LLVKDONJSA-N 1 2 293.392 1.117 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc(COC)s1 ZINC001028350144 902285405 /nfs/dbraw/zinc/28/54/05/902285405.db2.gz DQEUEPSTKFOOOJ-LLVKDONJSA-N 1 2 293.392 1.117 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001126365829 902364434 /nfs/dbraw/zinc/36/44/34/902364434.db2.gz NVRHSBDDMGCBMT-OAHLLOKOSA-N 1 2 293.367 1.085 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)c2c(C)nn(C)c2C)C1 ZINC001031485055 914665966 /nfs/dbraw/zinc/66/59/66/914665966.db2.gz ZXIZAEWSNGUZQM-LLVKDONJSA-N 1 2 290.411 1.517 20 30 CDEDLO C=CCC(F)(F)C(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001269000365 903318870 /nfs/dbraw/zinc/31/88/70/903318870.db2.gz BVYPMFANRWZQSO-UHFFFAOYSA-N 1 2 295.333 1.870 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH]ccc-2n1 ZINC001038418538 904517092 /nfs/dbraw/zinc/51/70/92/904517092.db2.gz WZPWSQSGWZYFMB-CYBMUJFWSA-N 1 2 282.347 1.390 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH]ccc-2n1 ZINC001038418538 904517100 /nfs/dbraw/zinc/51/71/00/904517100.db2.gz WZPWSQSGWZYFMB-CYBMUJFWSA-N 1 2 282.347 1.390 20 30 CDEDLO CC#CCN1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038418538 904517110 /nfs/dbraw/zinc/51/71/10/904517110.db2.gz WZPWSQSGWZYFMB-CYBMUJFWSA-N 1 2 282.347 1.390 20 30 CDEDLO N#CC1(C(=O)N2CC3(C2)C[NH+](Cc2ccc[nH]2)C3)CCC1 ZINC001271112641 905660889 /nfs/dbraw/zinc/66/08/89/905660889.db2.gz QQOVVOCBCPZZLE-UHFFFAOYSA-N 1 2 284.363 1.353 20 30 CDEDLO Cc1cccc(O[C@H](C)C[NH+]2CCOCC2)c1C#N ZINC001226920419 905844570 /nfs/dbraw/zinc/84/45/70/905844570.db2.gz RGYDHHAPSVYVAB-CYBMUJFWSA-N 1 2 260.337 1.966 20 30 CDEDLO C#CCN1C(=O)COCC12C[NH+](Cc1ccc(C)cc1)C2 ZINC001272972813 921283456 /nfs/dbraw/zinc/28/34/56/921283456.db2.gz YCNKNAUZWLSFGQ-UHFFFAOYSA-N 1 2 284.359 1.041 20 30 CDEDLO C=CCCCC(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128463811 921321029 /nfs/dbraw/zinc/32/10/29/921321029.db2.gz WQPZBNMPPYJGBA-UHFFFAOYSA-N 1 2 276.384 1.691 20 30 CDEDLO C=CCCCC(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128463811 921321036 /nfs/dbraw/zinc/32/10/36/921321036.db2.gz WQPZBNMPPYJGBA-UHFFFAOYSA-N 1 2 276.384 1.691 20 30 CDEDLO COc1nc(N(C)C)sc1C=[NH+]N1CCC[C@H]1CO ZINC000841663223 907909563 /nfs/dbraw/zinc/90/95/63/907909563.db2.gz SMIPKQRGXKKXSX-VIFPVBQESA-N 1 2 284.385 1.008 20 30 CDEDLO N#Cc1cc(F)cc(-c2noc(C[NH+]3CCC3)n2)c1 ZINC001212093521 908519516 /nfs/dbraw/zinc/51/95/16/908519516.db2.gz ZAPQLPDYJKJTHB-UHFFFAOYSA-N 1 2 258.256 1.953 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cocn2)c1 ZINC001038115927 909350437 /nfs/dbraw/zinc/35/04/37/909350437.db2.gz MZBDUFVNPGCALD-AWEZNQCLSA-N 1 2 296.330 1.551 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cocn2)c1 ZINC001038115927 909350454 /nfs/dbraw/zinc/35/04/54/909350454.db2.gz MZBDUFVNPGCALD-AWEZNQCLSA-N 1 2 296.330 1.551 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2c(cn1)CCCC2 ZINC001038487656 909356729 /nfs/dbraw/zinc/35/67/29/909356729.db2.gz DOTXWDDYESVQNK-OAHLLOKOSA-N 1 2 283.375 1.398 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c(cn1)CCCC2 ZINC001038487656 909356745 /nfs/dbraw/zinc/35/67/45/909356745.db2.gz DOTXWDDYESVQNK-OAHLLOKOSA-N 1 2 283.375 1.398 20 30 CDEDLO CCCCc1noc(C[NH2+]CCNC(=O)C#CC2CC2)n1 ZINC001126899441 909626739 /nfs/dbraw/zinc/62/67/39/909626739.db2.gz RJADYKIENZODLO-UHFFFAOYSA-N 1 2 290.367 1.031 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]21 ZINC001093330013 909738877 /nfs/dbraw/zinc/73/88/77/909738877.db2.gz BIVPPCWUAVHFIO-IMRBUKKESA-N 1 2 286.379 1.548 20 30 CDEDLO CCCn1cc(C[NH2+]Cc2ccc(C#N)c(F)c2)nn1 ZINC000714466097 909741790 /nfs/dbraw/zinc/74/17/90/909741790.db2.gz BHPXJKKLESILRK-UHFFFAOYSA-N 1 2 273.315 1.989 20 30 CDEDLO C=CCOCC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000347469598 910312655 /nfs/dbraw/zinc/31/26/55/910312655.db2.gz ONUDEJAJRBRTTK-GFCCVEGCSA-N 1 2 263.341 1.329 20 30 CDEDLO Cc1nc(NCCNC(=O)CCc2c[nH]c[nH+]2)ccc1C#N ZINC001094225157 910417463 /nfs/dbraw/zinc/41/74/63/910417463.db2.gz OXFJMVHGVDROOB-UHFFFAOYSA-N 1 2 298.350 1.146 20 30 CDEDLO Cc1nc(NCCNC(=O)CCc2c[nH+]c[nH]2)ccc1C#N ZINC001094225157 910417474 /nfs/dbraw/zinc/41/74/74/910417474.db2.gz OXFJMVHGVDROOB-UHFFFAOYSA-N 1 2 298.350 1.146 20 30 CDEDLO Cc1nc(NCCCNC(=O)Cn2cc[nH+]c2)ccc1C#N ZINC001094471152 910618407 /nfs/dbraw/zinc/61/84/07/910618407.db2.gz BUSKKAAUTFIAQO-UHFFFAOYSA-N 1 2 298.350 1.077 20 30 CDEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000591010361 911538565 /nfs/dbraw/zinc/53/85/65/911538565.db2.gz XHTWGQRTMVNAHS-CYBMUJFWSA-N 1 2 264.373 1.512 20 30 CDEDLO C#CC[C@H]([NH2+][C@@H](C)CCO[C@@H](C)CC)C(=O)OC ZINC001172327553 911588772 /nfs/dbraw/zinc/58/87/72/911588772.db2.gz DMHGXFPKAGNVCW-AVGNSLFASA-N 1 2 255.358 1.735 20 30 CDEDLO C#Cc1cc(Nc2ccc(OCC(=O)OC)nc2)cc[nH+]1 ZINC001212657196 911633732 /nfs/dbraw/zinc/63/37/32/911633732.db2.gz WRIRWVKRTHKVKN-UHFFFAOYSA-N 1 2 283.287 1.175 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCCO[C@H]2CC)C1 ZINC001030419921 911797759 /nfs/dbraw/zinc/79/77/59/911797759.db2.gz CSMFJSDHYSOOMQ-KBPBESRZSA-N 1 2 266.385 1.568 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2cc(C)c(Cl)cn2)C1 ZINC001030516927 911962303 /nfs/dbraw/zinc/96/23/03/911962303.db2.gz NZHATESOFXKXRH-UHFFFAOYSA-N 1 2 291.782 1.410 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(N(C)C)nc2)C1 ZINC001030589338 912090168 /nfs/dbraw/zinc/09/01/68/912090168.db2.gz MKBUNJKWNFXSGS-UHFFFAOYSA-N 1 2 274.368 1.138 20 30 CDEDLO C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001031671426 914882077 /nfs/dbraw/zinc/88/20/77/914882077.db2.gz IERWZMIGVHMOMH-CYBMUJFWSA-N 1 2 288.395 1.454 20 30 CDEDLO C[C@H](C(=O)Nc1ccc(C#N)cc1C#N)n1cc[nH+]c1 ZINC001177927006 915053404 /nfs/dbraw/zinc/05/34/04/915053404.db2.gz RWOACUFKOFAZKI-SNVBAGLBSA-N 1 2 265.276 1.826 20 30 CDEDLO N#Cc1cc[nH]c1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178101327 915167013 /nfs/dbraw/zinc/16/70/13/915167013.db2.gz WCAVLKMZSLXJQP-JTQLQIEISA-N 1 2 255.281 1.284 20 30 CDEDLO C#CC1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCCCC1 ZINC001178121442 915229103 /nfs/dbraw/zinc/22/91/03/915229103.db2.gz HYVBOAJMRLHHGJ-ZDUSSCGKSA-N 1 2 271.364 1.898 20 30 CDEDLO N#CCCN1CC[NH+](CCSC(F)(F)F)CC1 ZINC000886089554 930800605 /nfs/dbraw/zinc/80/06/05/930800605.db2.gz DLCYQBBSKOKAKU-UHFFFAOYSA-N 1 2 267.320 1.771 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1[C@@H]3COC[C@@H]31)C2 ZINC001097656309 936324994 /nfs/dbraw/zinc/32/49/94/936324994.db2.gz AWEYWMMYUVSFAG-PRFQISJJSA-N 1 2 296.798 1.353 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1[C@@H]3COC[C@@H]31)C2 ZINC001097656309 936324996 /nfs/dbraw/zinc/32/49/96/936324996.db2.gz AWEYWMMYUVSFAG-PRFQISJJSA-N 1 2 296.798 1.353 20 30 CDEDLO COc1ccc(C[N@@H+]2CCC[C@H](NC(C)=O)C2)c(C#N)c1 ZINC001137703921 936392996 /nfs/dbraw/zinc/39/29/96/936392996.db2.gz ZCNPYVLTBVNXGP-HNNXBMFYSA-N 1 2 287.363 1.667 20 30 CDEDLO COc1ccc(C[N@H+]2CCC[C@H](NC(C)=O)C2)c(C#N)c1 ZINC001137703921 936393000 /nfs/dbraw/zinc/39/30/00/936393000.db2.gz ZCNPYVLTBVNXGP-HNNXBMFYSA-N 1 2 287.363 1.667 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([NH2+]Cc2nc(CCC)no2)C1 ZINC001181510732 917115779 /nfs/dbraw/zinc/11/57/79/917115779.db2.gz BQOCYQIGFYHICZ-GFCCVEGCSA-N 1 2 292.383 1.679 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](F)CC)CCO2 ZINC001053376749 936412569 /nfs/dbraw/zinc/41/25/69/936412569.db2.gz ZQXVGFTUBWXYQL-LBPRGKRZSA-N 1 2 270.348 1.224 20 30 CDEDLO C=C(C)C[N@@H+](C)CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000182615480 917337033 /nfs/dbraw/zinc/33/70/33/917337033.db2.gz FFMIMPQCFMTNDZ-CQSZACIVSA-N 1 2 252.358 1.873 20 30 CDEDLO C=C(C)C[N@H+](C)CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000182615480 917337047 /nfs/dbraw/zinc/33/70/47/917337047.db2.gz FFMIMPQCFMTNDZ-CQSZACIVSA-N 1 2 252.358 1.873 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1(F)CCCC1)CO2 ZINC001053852295 936422321 /nfs/dbraw/zinc/42/23/21/936422321.db2.gz JZKCDOBAGQRDKG-ZDUSSCGKSA-N 1 2 294.370 1.252 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@]13C[C@H]1CCC3)CO2 ZINC001053874263 936422446 /nfs/dbraw/zinc/42/24/46/936422446.db2.gz BPJDAJWMSOZPBO-JKIFEVAISA-N 1 2 290.407 1.712 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccco1)CO2 ZINC001053721500 936418630 /nfs/dbraw/zinc/41/86/30/936418630.db2.gz XHLNQIOYJWYBRG-LBPRGKRZSA-N 1 2 276.336 1.429 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)C1CCC1)CO2 ZINC001053844321 936421475 /nfs/dbraw/zinc/42/14/75/936421475.db2.gz GNMHSPIRAQIFKX-ZFWWWQNUSA-N 1 2 292.423 1.958 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C)cc1)CO2 ZINC001053991748 936424848 /nfs/dbraw/zinc/42/48/48/936424848.db2.gz COKGUNNLWZRKIA-MRXNPFEDSA-N 1 2 298.386 1.591 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccn(C)c3)cc2C1 ZINC001054261021 936434035 /nfs/dbraw/zinc/43/40/35/936434035.db2.gz MANMYDZCNOPWQX-UHFFFAOYSA-N 1 2 293.370 1.904 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccn(C)c3)cc2C1 ZINC001054261021 936434037 /nfs/dbraw/zinc/43/40/37/936434037.db2.gz MANMYDZCNOPWQX-UHFFFAOYSA-N 1 2 293.370 1.904 20 30 CDEDLO Cc1c(CN2CCC(=O)[C@H](C#N)C2)[nH+]c2ccccn12 ZINC001137273603 936438943 /nfs/dbraw/zinc/43/89/43/936438943.db2.gz PBZSXKZFFODLLO-GFCCVEGCSA-N 1 2 268.320 1.557 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC000829975852 936440372 /nfs/dbraw/zinc/44/03/72/936440372.db2.gz UPNVKCVYFLOAHG-GFCCVEGCSA-N 1 2 251.717 1.585 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC000829975852 936440375 /nfs/dbraw/zinc/44/03/75/936440375.db2.gz UPNVKCVYFLOAHG-GFCCVEGCSA-N 1 2 251.717 1.585 20 30 CDEDLO CN1CC[NH+](CCNc2ccc(CCC#N)cn2)CC1 ZINC001250056118 917871545 /nfs/dbraw/zinc/87/15/45/917871545.db2.gz AXVFEWCIMZSYKV-UHFFFAOYSA-N 1 2 273.384 1.197 20 30 CDEDLO C#CC(C)(C)C(=O)NCCSCc1[nH]c[nH+]c1C ZINC001182638861 918001086 /nfs/dbraw/zinc/00/10/86/918001086.db2.gz NWXGASQYIDYVEE-UHFFFAOYSA-N 1 2 265.382 1.727 20 30 CDEDLO C#CCC[NH2+][C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001182719615 918071004 /nfs/dbraw/zinc/07/10/04/918071004.db2.gz SOLHAQJIMWXYLI-RKDXNWHRSA-N 1 2 266.238 1.101 20 30 CDEDLO C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001182719615 918071019 /nfs/dbraw/zinc/07/10/19/918071019.db2.gz SOLHAQJIMWXYLI-RKDXNWHRSA-N 1 2 266.238 1.101 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC1CCCC1 ZINC001032258695 918100319 /nfs/dbraw/zinc/10/03/19/918100319.db2.gz ZZQHRGMUZKWSSY-GJZGRUSLSA-N 1 2 260.381 1.875 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC1CCCC1 ZINC001032258695 918100331 /nfs/dbraw/zinc/10/03/31/918100331.db2.gz ZZQHRGMUZKWSSY-GJZGRUSLSA-N 1 2 260.381 1.875 20 30 CDEDLO C[C@@H](C(=O)NCCc1[nH+]ccn1C)c1ccc(C#N)cc1 ZINC001182799278 918133347 /nfs/dbraw/zinc/13/33/47/918133347.db2.gz GRODORREOMFMBU-GFCCVEGCSA-N 1 2 282.347 1.754 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1O ZINC001032289307 918170135 /nfs/dbraw/zinc/17/01/35/918170135.db2.gz WOWYREIPXBVMFO-STQMWFEESA-N 1 2 270.332 1.314 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1O ZINC001032289307 918170143 /nfs/dbraw/zinc/17/01/43/918170143.db2.gz WOWYREIPXBVMFO-STQMWFEESA-N 1 2 270.332 1.314 20 30 CDEDLO Cc1ncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C)C#N)s1 ZINC001032316934 918374230 /nfs/dbraw/zinc/37/42/30/918374230.db2.gz 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/nfs/dbraw/zinc/20/35/83/922203583.db2.gz ABIMHEZEYKXOER-UHFFFAOYSA-N 1 2 267.354 1.137 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2nonc2C)C1 ZINC001033544425 922262413 /nfs/dbraw/zinc/26/24/13/922262413.db2.gz MAUSPWDQEPCECP-LLVKDONJSA-N 1 2 298.774 1.206 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2nonc2C)C1 ZINC001033544425 922262424 /nfs/dbraw/zinc/26/24/24/922262424.db2.gz MAUSPWDQEPCECP-LLVKDONJSA-N 1 2 298.774 1.206 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2cnc(CC)s2)C1 ZINC001033699691 922319805 /nfs/dbraw/zinc/31/98/05/922319805.db2.gz PKAKWMXJFXHBNW-NSHDSACASA-N 1 2 277.393 1.485 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnc(CC)s2)C1 ZINC001033699691 922319811 /nfs/dbraw/zinc/31/98/11/922319811.db2.gz PKAKWMXJFXHBNW-NSHDSACASA-N 1 2 277.393 1.485 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2nccs2)C1 ZINC001033995451 922443857 /nfs/dbraw/zinc/44/38/57/922443857.db2.gz FEDPDOSRFHOLGZ-NSHDSACASA-N 1 2 263.366 1.313 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2nccs2)C1 ZINC001033995451 922443867 /nfs/dbraw/zinc/44/38/67/922443867.db2.gz FEDPDOSRFHOLGZ-NSHDSACASA-N 1 2 263.366 1.313 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(O)cc(Cl)c2)CC1 ZINC001140797877 936756713 /nfs/dbraw/zinc/75/67/13/936756713.db2.gz UZBBYNVVPZUFHN-UHFFFAOYSA-N 1 2 264.756 1.796 20 30 CDEDLO Cc1nc(N[C@@H](C)CCNC(=O)[C@H](C)C#N)cc[nH+]1 ZINC001098948488 936770247 /nfs/dbraw/zinc/77/02/47/936770247.db2.gz ZZFDEUZZUUPRTK-ZJUUUORDSA-N 1 2 261.329 1.251 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001108132292 922696580 /nfs/dbraw/zinc/69/65/80/922696580.db2.gz CAKXJQFTBXBBHF-RTXFEEFZSA-N 1 2 290.367 1.293 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CC3(CCC3)C2)C1 ZINC001108144475 922758888 /nfs/dbraw/zinc/75/88/88/922758888.db2.gz QWDPPLLZOHCJEN-INIZCTEOSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CC3(CCC3)C2)C1 ZINC001108144475 922758897 /nfs/dbraw/zinc/75/88/97/922758897.db2.gz QWDPPLLZOHCJEN-INIZCTEOSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(Cl)c[nH]2)C1 ZINC001035292124 922952664 /nfs/dbraw/zinc/95/26/64/922952664.db2.gz FSNWVMKKIXANCW-LLVKDONJSA-N 1 2 283.759 1.285 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(Cl)c[nH]2)C1 ZINC001035292124 922952668 /nfs/dbraw/zinc/95/26/68/922952668.db2.gz FSNWVMKKIXANCW-LLVKDONJSA-N 1 2 283.759 1.285 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001035366758 922974850 /nfs/dbraw/zinc/97/48/50/922974850.db2.gz QWVILILPVLOABP-CABCVRRESA-N 1 2 292.423 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001035366758 922974861 /nfs/dbraw/zinc/97/48/61/922974861.db2.gz QWVILILPVLOABP-CABCVRRESA-N 1 2 292.423 1.960 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2csc(C)c2C)C1 ZINC001035387133 922983866 /nfs/dbraw/zinc/98/38/66/922983866.db2.gz KWTZMVYXNVFOOQ-CYBMUJFWSA-N 1 2 294.420 1.982 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2csc(C)c2C)C1 ZINC001035387133 922983873 /nfs/dbraw/zinc/98/38/73/922983873.db2.gz KWTZMVYXNVFOOQ-CYBMUJFWSA-N 1 2 294.420 1.982 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnoc2CC)C1 ZINC001035526785 923005125 /nfs/dbraw/zinc/00/51/25/923005125.db2.gz NJEZIWDGQRNLSA-LBPRGKRZSA-N 1 2 293.367 1.244 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnoc2CC)C1 ZINC001035526785 923005141 /nfs/dbraw/zinc/00/51/41/923005141.db2.gz NJEZIWDGQRNLSA-LBPRGKRZSA-N 1 2 293.367 1.244 20 30 CDEDLO C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)Nc1ccc(C#N)nc1 ZINC001099714069 936802905 /nfs/dbraw/zinc/80/29/05/936802905.db2.gz YPRXRFDAVBNDHN-LLVKDONJSA-N 1 2 298.350 1.226 20 30 CDEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2ccns2)C[C@@H]1O ZINC001099729609 936804168 /nfs/dbraw/zinc/80/41/68/936804168.db2.gz JVTXVQAQMWPECL-STQMWFEESA-N 1 2 295.408 1.161 20 30 CDEDLO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2ccns2)C[C@@H]1O ZINC001099729609 936804170 /nfs/dbraw/zinc/80/41/70/936804170.db2.gz JVTXVQAQMWPECL-STQMWFEESA-N 1 2 295.408 1.161 20 30 CDEDLO N#Cc1c(N)sc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c1Cl ZINC001141108767 936814087 /nfs/dbraw/zinc/81/40/87/936814087.db2.gz GSIOHUOIBDVWQZ-YUMQZZPRSA-N 1 2 289.763 1.760 20 30 CDEDLO N#Cc1c(N)sc(C[N@H+]2CC[C@H](F)[C@@H](O)C2)c1Cl ZINC001141108767 936814088 /nfs/dbraw/zinc/81/40/88/936814088.db2.gz GSIOHUOIBDVWQZ-YUMQZZPRSA-N 1 2 289.763 1.760 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)nn2C(C)(C)C)CC1 ZINC001192721864 923227048 /nfs/dbraw/zinc/22/70/48/923227048.db2.gz LXWRHXNBNPYGBG-UHFFFAOYSA-N 1 2 290.411 1.890 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC(C)(F)F)[C@H](O)C1 ZINC001099991830 936830141 /nfs/dbraw/zinc/83/01/41/936830141.db2.gz QJIGGRMXYZAVGS-VHSXEESVSA-N 1 2 296.745 1.336 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC(C)(F)F)[C@H](O)C1 ZINC001099991830 936830142 /nfs/dbraw/zinc/83/01/42/936830142.db2.gz QJIGGRMXYZAVGS-VHSXEESVSA-N 1 2 296.745 1.336 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](CF)C2)cc1 ZINC000711435285 923580545 /nfs/dbraw/zinc/58/05/45/923580545.db2.gz MPEOWDLFTIOJSJ-ZDUSSCGKSA-N 1 2 296.367 1.623 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](CF)C2)cc1 ZINC000711435285 923580558 /nfs/dbraw/zinc/58/05/58/923580558.db2.gz MPEOWDLFTIOJSJ-ZDUSSCGKSA-N 1 2 296.367 1.623 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2c(F)ccnc2F)C1 ZINC000923560612 923933762 /nfs/dbraw/zinc/93/37/62/923933762.db2.gz ZFSYFFCQSBZWNV-JTQLQIEISA-N 1 2 279.290 1.187 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2c(F)ccnc2F)C1 ZINC000923560612 923933773 /nfs/dbraw/zinc/93/37/73/923933773.db2.gz ZFSYFFCQSBZWNV-JTQLQIEISA-N 1 2 279.290 1.187 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2c(F)ccc(O)c2F)C1 ZINC000923562260 923938700 /nfs/dbraw/zinc/93/87/00/923938700.db2.gz TZCXTGVWSJJRKL-SNVBAGLBSA-N 1 2 294.301 1.498 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c(F)ccc(O)c2F)C1 ZINC000923562260 923938706 /nfs/dbraw/zinc/93/87/06/923938706.db2.gz TZCXTGVWSJJRKL-SNVBAGLBSA-N 1 2 294.301 1.498 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C2(C)CCC(=O)CC2)C1 ZINC000923558029 923938913 /nfs/dbraw/zinc/93/89/13/923938913.db2.gz VBHMHOVZRZOEOA-ZDUSSCGKSA-N 1 2 276.380 1.350 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C2(C)CCC(=O)CC2)C1 ZINC000923558029 923938920 /nfs/dbraw/zinc/93/89/20/923938920.db2.gz VBHMHOVZRZOEOA-ZDUSSCGKSA-N 1 2 276.380 1.350 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C2(SC)CC2)C1 ZINC000923563241 923940719 /nfs/dbraw/zinc/94/07/19/923940719.db2.gz CGGLSBNFYWJVTF-NSHDSACASA-N 1 2 252.383 1.096 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C2(SC)CC2)C1 ZINC000923563241 923940734 /nfs/dbraw/zinc/94/07/34/923940734.db2.gz CGGLSBNFYWJVTF-NSHDSACASA-N 1 2 252.383 1.096 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)C[C@@H]2C)C1 ZINC000923567559 923941897 /nfs/dbraw/zinc/94/18/97/923941897.db2.gz UOXTVEQAFYWLGP-YDHLFZDLSA-N 1 2 276.380 1.206 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)C[C@@H]2C)C1 ZINC000923567559 923941901 /nfs/dbraw/zinc/94/19/01/923941901.db2.gz UOXTVEQAFYWLGP-YDHLFZDLSA-N 1 2 276.380 1.206 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2c(F)ccc(F)c2F)C1 ZINC000923565985 923943370 /nfs/dbraw/zinc/94/33/70/923943370.db2.gz MJSKCQNLQBVITK-SNVBAGLBSA-N 1 2 296.292 1.931 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c(F)ccc(F)c2F)C1 ZINC000923565985 923943382 /nfs/dbraw/zinc/94/33/82/923943382.db2.gz MJSKCQNLQBVITK-SNVBAGLBSA-N 1 2 296.292 1.931 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc(C)s2)C1 ZINC000923582164 923957244 /nfs/dbraw/zinc/95/72/44/923957244.db2.gz KIDQQPLQLQPMFB-NSHDSACASA-N 1 2 263.366 1.279 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc(C)s2)C1 ZINC000923582164 923957257 /nfs/dbraw/zinc/95/72/57/923957257.db2.gz KIDQQPLQLQPMFB-NSHDSACASA-N 1 2 263.366 1.279 20 30 CDEDLO C=CCONC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000838702798 936886810 /nfs/dbraw/zinc/88/68/10/936886810.db2.gz CQDJOSSIQNQKLY-UHFFFAOYSA-N 1 2 279.340 1.966 20 30 CDEDLO CC1(C#N)C[NH+](CC2CCC3(CC2)OCCO3)C1 ZINC000839132219 936905945 /nfs/dbraw/zinc/90/59/45/936905945.db2.gz DPXFGRHDTSKNLO-UHFFFAOYSA-N 1 2 250.342 1.765 20 30 CDEDLO C=CCNC(=S)NN=C1CC[N@H+](Cc2ccccc2)C1 ZINC000839387984 936911439 /nfs/dbraw/zinc/91/14/39/936911439.db2.gz DWOPLHGHVNDZEM-UHFFFAOYSA-N 1 2 288.420 1.898 20 30 CDEDLO C=CCNC(=S)NN=C1CC[N@@H+](Cc2ccccc2)C1 ZINC000839387984 936911442 /nfs/dbraw/zinc/91/14/42/936911442.db2.gz DWOPLHGHVNDZEM-UHFFFAOYSA-N 1 2 288.420 1.898 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccnc(OC)c2Cl)CC1 ZINC001195190104 924489089 /nfs/dbraw/zinc/48/90/89/924489089.db2.gz FWQBVCUYXYCXMP-UHFFFAOYSA-N 1 2 295.770 1.687 20 30 CDEDLO C=CCN1CCN(C[N@H+](C)CCOC(C)(C)C)C1=O ZINC000840024481 936933597 /nfs/dbraw/zinc/93/35/97/936933597.db2.gz BVCDYZBZIOAODO-UHFFFAOYSA-N 1 2 269.389 1.614 20 30 CDEDLO C=CCN1CCN(C[N@@H+](C)CCOC(C)(C)C)C1=O ZINC000840024481 936933599 /nfs/dbraw/zinc/93/35/99/936933599.db2.gz BVCDYZBZIOAODO-UHFFFAOYSA-N 1 2 269.389 1.614 20 30 CDEDLO C#CCCCC(=O)N1CCC[N@@H+](Cc2ccnn2C)CC1 ZINC001195645029 924677452 /nfs/dbraw/zinc/67/74/52/924677452.db2.gz GYMQUFJOPGHXGW-UHFFFAOYSA-N 1 2 288.395 1.258 20 30 CDEDLO C#CCCCC(=O)N1CCC[N@H+](Cc2ccnn2C)CC1 ZINC001195645029 924677454 /nfs/dbraw/zinc/67/74/54/924677454.db2.gz GYMQUFJOPGHXGW-UHFFFAOYSA-N 1 2 288.395 1.258 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2F)[C@H](OC)C1 ZINC001081293715 924728941 /nfs/dbraw/zinc/72/89/41/924728941.db2.gz FKENXHXWYDEPRT-HUUCEWRRSA-N 1 2 290.338 1.278 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2F)[C@H](OC)C1 ZINC001081293715 924728946 /nfs/dbraw/zinc/72/89/46/924728946.db2.gz FKENXHXWYDEPRT-HUUCEWRRSA-N 1 2 290.338 1.278 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2sccc2F)[C@H](OC)C1 ZINC001081630038 924771973 /nfs/dbraw/zinc/77/19/73/924771973.db2.gz USOKXSKCTRDWMS-GHMZBOCLSA-N 1 2 284.356 1.502 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2sccc2F)[C@H](OC)C1 ZINC001081630038 924771981 /nfs/dbraw/zinc/77/19/81/924771981.db2.gz USOKXSKCTRDWMS-GHMZBOCLSA-N 1 2 284.356 1.502 20 30 CDEDLO C=C(C)[C@H](CC(=O)N1CCC[N@H+](CCF)CC1)OCC ZINC001196025421 924791160 /nfs/dbraw/zinc/79/11/60/924791160.db2.gz PLLHYBJXXLLFGQ-AWEZNQCLSA-N 1 2 286.391 1.862 20 30 CDEDLO C=C(C)[C@H](CC(=O)N1CCC[N@@H+](CCF)CC1)OCC ZINC001196025421 924791170 /nfs/dbraw/zinc/79/11/70/924791170.db2.gz PLLHYBJXXLLFGQ-AWEZNQCLSA-N 1 2 286.391 1.862 20 30 CDEDLO N#Cc1cccnc1C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001196548134 924935600 /nfs/dbraw/zinc/93/56/00/924935600.db2.gz XURXRXXEPFZMJP-UHFFFAOYSA-N 1 2 264.288 1.511 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3oc(C)cc3C)[C@H]2C1 ZINC001083040475 925085627 /nfs/dbraw/zinc/08/56/27/925085627.db2.gz OMOHDCFYEASMKS-UONOGXRCSA-N 1 2 288.347 1.055 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3oc(C)cc3C)[C@H]2C1 ZINC001083040475 925085633 /nfs/dbraw/zinc/08/56/33/925085633.db2.gz OMOHDCFYEASMKS-UONOGXRCSA-N 1 2 288.347 1.055 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3occc3Cl)[C@@H]2C1 ZINC001084638748 925316573 /nfs/dbraw/zinc/31/65/73/925316573.db2.gz QPRMPVPHMIQCPC-ZYHUDNBSSA-N 1 2 278.739 1.713 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3Cl)[C@@H]2C1 ZINC001084638748 925316583 /nfs/dbraw/zinc/31/65/83/925316583.db2.gz QPRMPVPHMIQCPC-ZYHUDNBSSA-N 1 2 278.739 1.713 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3conc3C3CC3)[C@@H]2C1 ZINC001084653806 925328381 /nfs/dbraw/zinc/32/83/81/925328381.db2.gz WJMLZNIEVDLNET-TZMCWYRMSA-N 1 2 285.347 1.332 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3conc3C3CC3)[C@@H]2C1 ZINC001084653806 925328390 /nfs/dbraw/zinc/32/83/90/925328390.db2.gz WJMLZNIEVDLNET-TZMCWYRMSA-N 1 2 285.347 1.332 20 30 CDEDLO O=C(CC#Cc1ccccc1)N1CCC[N@@H+](CCF)CC1 ZINC001198213960 925359446 /nfs/dbraw/zinc/35/94/46/925359446.db2.gz LMLRHRKUCFAKQX-UHFFFAOYSA-N 1 2 288.366 1.932 20 30 CDEDLO O=C(CC#Cc1ccccc1)N1CCC[N@H+](CCF)CC1 ZINC001198213960 925359452 /nfs/dbraw/zinc/35/94/52/925359452.db2.gz LMLRHRKUCFAKQX-UHFFFAOYSA-N 1 2 288.366 1.932 20 30 CDEDLO CNC(=S)N(C)[NH+]=Cc1ccc(N(C)C(C)C)nc1 ZINC000841646305 937009928 /nfs/dbraw/zinc/00/99/28/937009928.db2.gz OJYXCLZSEBTCIG-UHFFFAOYSA-N 1 2 279.413 1.696 20 30 CDEDLO C#CCC[N@@H+]1C[C@@H](CNC(=O)C(F)C(F)(F)F)[C@H](C)C1 ZINC001101988006 937034992 /nfs/dbraw/zinc/03/49/92/937034992.db2.gz OCBLXFNKIMETQW-MXWKQRLJSA-N 1 2 294.292 1.594 20 30 CDEDLO C#CCC[N@H+]1C[C@@H](CNC(=O)C(F)C(F)(F)F)[C@H](C)C1 ZINC001101988006 937034994 /nfs/dbraw/zinc/03/49/94/937034994.db2.gz OCBLXFNKIMETQW-MXWKQRLJSA-N 1 2 294.292 1.594 20 30 CDEDLO C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)[C@H](C)C1 ZINC001101988006 937034997 /nfs/dbraw/zinc/03/49/97/937034997.db2.gz OCBLXFNKIMETQW-MXWKQRLJSA-N 1 2 294.292 1.594 20 30 CDEDLO C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)[C@H](C)C1 ZINC001101988006 937035000 /nfs/dbraw/zinc/03/50/00/937035000.db2.gz OCBLXFNKIMETQW-MXWKQRLJSA-N 1 2 294.292 1.594 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000776041839 925933418 /nfs/dbraw/zinc/93/34/18/925933418.db2.gz NYKROGQTOLDLRP-KBPBESRZSA-N 1 2 283.416 1.751 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000776041839 925933423 /nfs/dbraw/zinc/93/34/23/925933423.db2.gz NYKROGQTOLDLRP-KBPBESRZSA-N 1 2 283.416 1.751 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccnn1C(F)F ZINC001085617663 926219326 /nfs/dbraw/zinc/21/93/26/926219326.db2.gz UBHARUICYSWFOK-SNVBAGLBSA-N 1 2 282.294 1.058 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccnn1C(F)F ZINC001085617663 926219331 /nfs/dbraw/zinc/21/93/31/926219331.db2.gz UBHARUICYSWFOK-SNVBAGLBSA-N 1 2 282.294 1.058 20 30 CDEDLO Cc1nc(Nc2ccc(N)[nH+]c2)c(C#N)cc1C#N ZINC001201275470 926252714 /nfs/dbraw/zinc/25/27/14/926252714.db2.gz GCAQGHRZCICRGJ-UHFFFAOYSA-N 1 2 250.265 1.854 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)oc(C)c1C ZINC001085709481 926310527 /nfs/dbraw/zinc/31/05/27/926310527.db2.gz IZVIYBQJWOFSIZ-AWEZNQCLSA-N 1 2 274.364 1.984 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)oc(C)c1C ZINC001085709481 926310534 /nfs/dbraw/zinc/31/05/34/926310534.db2.gz IZVIYBQJWOFSIZ-AWEZNQCLSA-N 1 2 274.364 1.984 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nccc2occc21 ZINC001085734766 926337792 /nfs/dbraw/zinc/33/77/92/926337792.db2.gz PQBMNSLHRYVBFQ-LBPRGKRZSA-N 1 2 283.331 1.607 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nccc2occc21 ZINC001085734766 926337797 /nfs/dbraw/zinc/33/77/97/926337797.db2.gz PQBMNSLHRYVBFQ-LBPRGKRZSA-N 1 2 283.331 1.607 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(OC)ccn1 ZINC001085759493 926369686 /nfs/dbraw/zinc/36/96/86/926369686.db2.gz IRHLYYUCTGUSKL-ZDUSSCGKSA-N 1 2 287.363 1.260 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(OC)ccn1 ZINC001085759493 926369691 /nfs/dbraw/zinc/36/96/91/926369691.db2.gz IRHLYYUCTGUSKL-ZDUSSCGKSA-N 1 2 287.363 1.260 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccnc1OCC ZINC001085954051 926541903 /nfs/dbraw/zinc/54/19/03/926541903.db2.gz PXVOTDAJZPMEHH-ZDUSSCGKSA-N 1 2 287.363 1.260 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccnc1OCC ZINC001085954051 926541910 /nfs/dbraw/zinc/54/19/10/926541910.db2.gz PXVOTDAJZPMEHH-ZDUSSCGKSA-N 1 2 287.363 1.260 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)COC(C)C)C1 ZINC001490529026 927195805 /nfs/dbraw/zinc/19/58/05/927195805.db2.gz ZBCWQJAWSMEPJZ-LLVKDONJSA-N 1 2 260.765 1.354 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)COC(C)C)C1 ZINC001490529026 927195807 /nfs/dbraw/zinc/19/58/07/927195807.db2.gz ZBCWQJAWSMEPJZ-LLVKDONJSA-N 1 2 260.765 1.354 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(OC)o2)C1 ZINC001108299811 927354246 /nfs/dbraw/zinc/35/42/46/927354246.db2.gz UFCYSZNEOSKRNN-HNNXBMFYSA-N 1 2 294.351 1.295 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(OC)o2)C1 ZINC001108299811 927354257 /nfs/dbraw/zinc/35/42/57/927354257.db2.gz UFCYSZNEOSKRNN-HNNXBMFYSA-N 1 2 294.351 1.295 20 30 CDEDLO N#CC1(c2cc[nH+]c(NCCn3cnnc3)c2)CC1 ZINC001168871136 927502361 /nfs/dbraw/zinc/50/23/61/927502361.db2.gz FJHGMQXFUFBSCU-UHFFFAOYSA-N 1 2 254.297 1.340 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1ccc(S(=O)(=O)NC)cc1 ZINC000851785315 927628181 /nfs/dbraw/zinc/62/81/81/927628181.db2.gz PLNPQUIYBMVACA-UHFFFAOYSA-N 1 2 290.388 1.053 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1ccc(S(=O)(=O)NC)cc1 ZINC000851785315 927628187 /nfs/dbraw/zinc/62/81/87/927628187.db2.gz PLNPQUIYBMVACA-UHFFFAOYSA-N 1 2 290.388 1.053 20 30 CDEDLO C#C[C@H]([NH2+]Cc1[nH]nc(C)c1C(=O)OCC)[C@@H]1CCCO1 ZINC000851951216 927671693 /nfs/dbraw/zinc/67/16/93/927671693.db2.gz WGWHFHIXEHTYLD-AAEUAGOBSA-N 1 2 291.351 1.165 20 30 CDEDLO C#CCOCC[N@@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000852075998 927704136 /nfs/dbraw/zinc/70/41/36/927704136.db2.gz GPTYLECENIERMP-SNVBAGLBSA-N 1 2 265.275 1.678 20 30 CDEDLO C#CCOCC[N@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000852075998 927704144 /nfs/dbraw/zinc/70/41/44/927704144.db2.gz GPTYLECENIERMP-SNVBAGLBSA-N 1 2 265.275 1.678 20 30 CDEDLO C#Cc1cccnc1N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000853153345 927963449 /nfs/dbraw/zinc/96/34/49/927963449.db2.gz NHPJVPIUFXNFNA-UHFFFAOYSA-N 1 2 296.374 1.990 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853509413 928033755 /nfs/dbraw/zinc/03/37/55/928033755.db2.gz VKFLJZSCNPFWAI-NSHDSACASA-N 1 2 285.307 1.764 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853509413 928033767 /nfs/dbraw/zinc/03/37/67/928033767.db2.gz VKFLJZSCNPFWAI-NSHDSACASA-N 1 2 285.307 1.764 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000853526362 928038212 /nfs/dbraw/zinc/03/82/12/928038212.db2.gz PXKBPYAQVFUDEV-MCIONIFRSA-N 1 2 287.363 1.521 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000853526362 928038216 /nfs/dbraw/zinc/03/82/16/928038216.db2.gz PXKBPYAQVFUDEV-MCIONIFRSA-N 1 2 287.363 1.521 20 30 CDEDLO C#C[C@H](CC)NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000854073884 928149741 /nfs/dbraw/zinc/14/97/41/928149741.db2.gz FGOXBJUPBSAZOJ-MCIONIFRSA-N 1 2 274.368 1.887 20 30 CDEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C(C)(C)CC)CC2=O)C1 ZINC001108567936 928461021 /nfs/dbraw/zinc/46/10/21/928461021.db2.gz FQUSTNYFIXUBGM-GFCCVEGCSA-N 1 2 293.411 1.010 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CCC(C)(C)CC1 ZINC000856070446 928538092 /nfs/dbraw/zinc/53/80/92/928538092.db2.gz ONHOHEGXIMKXOP-AWEZNQCLSA-N 1 2 292.423 1.532 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CCC(C)(C)CC1 ZINC000856070446 928538100 /nfs/dbraw/zinc/53/81/00/928538100.db2.gz ONHOHEGXIMKXOP-AWEZNQCLSA-N 1 2 292.423 1.532 20 30 CDEDLO N#Cc1ccc(F)c(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000857941634 928778640 /nfs/dbraw/zinc/77/86/40/928778640.db2.gz KIMQHDPUJQGMGZ-LLVKDONJSA-N 1 2 284.294 1.639 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2cccc(C)n2)CC1 ZINC001112613436 929258121 /nfs/dbraw/zinc/25/81/21/929258121.db2.gz YSVUFCGCEDIAPD-UHFFFAOYSA-N 1 2 289.379 1.350 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+](CC(=C)C)CC1 ZINC001112671282 929311052 /nfs/dbraw/zinc/31/10/52/929311052.db2.gz FIUMJELTASBMIX-CQSZACIVSA-N 1 2 266.385 1.688 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](C)OCCCC)CC1 ZINC001112678201 929316593 /nfs/dbraw/zinc/31/65/93/929316593.db2.gz YTOKOKGKYBOEFN-OAHLLOKOSA-N 1 2 298.427 1.538 20 30 CDEDLO Cc1noc(C)c1C[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000787166532 929327046 /nfs/dbraw/zinc/32/70/46/929327046.db2.gz AOVZCOAYEQBEQE-LLVKDONJSA-N 1 2 290.367 1.674 20 30 CDEDLO Cc1noc(C)c1C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000787166532 929327054 /nfs/dbraw/zinc/32/70/54/929327054.db2.gz AOVZCOAYEQBEQE-LLVKDONJSA-N 1 2 290.367 1.674 20 30 CDEDLO C#CCCCC(=O)N1CC[NH+](CCOCC(C)C)CC1 ZINC001112809586 929442054 /nfs/dbraw/zinc/44/20/54/929442054.db2.gz LZXQMSDNYZOAAZ-UHFFFAOYSA-N 1 2 280.412 1.607 20 30 CDEDLO C=C[C@](C)(O)C[NH2+][C@@H](C)C(=O)OCc1ccccc1 ZINC001252571651 929445151 /nfs/dbraw/zinc/44/51/51/929445151.db2.gz BBCLBVAEAUJPIR-WFASDCNBSA-N 1 2 263.337 1.645 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](CF)C2)c(C#N)c1C ZINC000880295212 929647173 /nfs/dbraw/zinc/64/71/73/929647173.db2.gz JDKHUPNRGQAPTM-LLVKDONJSA-N 1 2 279.315 1.998 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](CF)C2)c(C#N)c1C ZINC000880295212 929647183 /nfs/dbraw/zinc/64/71/83/929647183.db2.gz JDKHUPNRGQAPTM-LLVKDONJSA-N 1 2 279.315 1.998 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCc3ncncc3C2)cc1 ZINC000880594173 929719189 /nfs/dbraw/zinc/71/91/89/929719189.db2.gz PVLSATJXVRKCPV-UHFFFAOYSA-N 1 2 250.305 1.907 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCc3ncncc3C2)cc1 ZINC000880594173 929719194 /nfs/dbraw/zinc/71/91/94/929719194.db2.gz PVLSATJXVRKCPV-UHFFFAOYSA-N 1 2 250.305 1.907 20 30 CDEDLO N#Cc1ccc(OCC[N@@H+]2CCc3ncncc3C2)cc1 ZINC000880593055 929719274 /nfs/dbraw/zinc/71/92/74/929719274.db2.gz LHIOFUZYANNWGH-UHFFFAOYSA-N 1 2 280.331 1.785 20 30 CDEDLO N#Cc1ccc(OCC[N@H+]2CCc3ncncc3C2)cc1 ZINC000880593055 929719278 /nfs/dbraw/zinc/71/92/78/929719278.db2.gz LHIOFUZYANNWGH-UHFFFAOYSA-N 1 2 280.331 1.785 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(CC#N)n1 ZINC000881155422 929786224 /nfs/dbraw/zinc/78/62/24/929786224.db2.gz WYZRUGJDQWXHNA-NSHDSACASA-N 1 2 284.323 1.554 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(OCC#N)cc2)nn1 ZINC000881286253 929805287 /nfs/dbraw/zinc/80/52/87/929805287.db2.gz VTCZENCWWRTEHO-UHFFFAOYSA-N 1 2 295.346 1.342 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc2ccccc2n1C ZINC000881465840 929851543 /nfs/dbraw/zinc/85/15/43/929851543.db2.gz VHLDYCHHRGRUDP-AWEZNQCLSA-N 1 2 282.347 1.609 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc2ccccc2n1C ZINC000881465840 929851550 /nfs/dbraw/zinc/85/15/50/929851550.db2.gz VHLDYCHHRGRUDP-AWEZNQCLSA-N 1 2 282.347 1.609 20 30 CDEDLO CC#CC[N@@H+](CC)[C@H](C)CNC(=O)c1[nH]nc(C)c1C ZINC001152527438 937369130 /nfs/dbraw/zinc/36/91/30/937369130.db2.gz NWHZSCLJCISAEV-LLVKDONJSA-N 1 2 276.384 1.490 20 30 CDEDLO CC#CC[N@H+](CC)[C@H](C)CNC(=O)c1[nH]nc(C)c1C ZINC001152527438 937369132 /nfs/dbraw/zinc/36/91/32/937369132.db2.gz NWHZSCLJCISAEV-LLVKDONJSA-N 1 2 276.384 1.490 20 30 CDEDLO Cc1ccc(C(=O)NCCn2cc[nH+]c2)cc1C#N ZINC000799296517 937383407 /nfs/dbraw/zinc/38/34/07/937383407.db2.gz FQBUWSYTMWOGAL-UHFFFAOYSA-N 1 2 254.293 1.493 20 30 CDEDLO Cc1ccc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c(C#N)n1 ZINC000882599448 930045644 /nfs/dbraw/zinc/04/56/44/930045644.db2.gz XDWFECOYRKKLJK-STQMWFEESA-N 1 2 274.368 1.783 20 30 CDEDLO Cc1ccc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c(C#N)n1 ZINC000882599448 930045657 /nfs/dbraw/zinc/04/56/57/930045657.db2.gz XDWFECOYRKKLJK-STQMWFEESA-N 1 2 274.368 1.783 20 30 CDEDLO C#CC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000799763093 937396249 /nfs/dbraw/zinc/39/62/49/937396249.db2.gz XLCIAJPKPUAILU-CQSZACIVSA-N 1 2 286.375 1.751 20 30 CDEDLO C#CC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000799763093 937396252 /nfs/dbraw/zinc/39/62/52/937396252.db2.gz XLCIAJPKPUAILU-CQSZACIVSA-N 1 2 286.375 1.751 20 30 CDEDLO C#CC1(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000883631207 930240019 /nfs/dbraw/zinc/24/00/19/930240019.db2.gz OIEZFTATRUABLB-LBPRGKRZSA-N 1 2 272.352 1.443 20 30 CDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1nonc1C ZINC001273981723 930368991 /nfs/dbraw/zinc/36/89/91/930368991.db2.gz CLPPNVGRNQCPBN-HNNXBMFYSA-N 1 2 290.367 1.521 20 30 CDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1nonc1C ZINC001273981723 930368995 /nfs/dbraw/zinc/36/89/95/930368995.db2.gz CLPPNVGRNQCPBN-HNNXBMFYSA-N 1 2 290.367 1.521 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1cccc(C)c1 ZINC000884071118 930432787 /nfs/dbraw/zinc/43/27/87/930432787.db2.gz JBOLRSMRGYOSNC-ZDUSSCGKSA-N 1 2 276.336 1.058 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCSC(C)(C)C ZINC000884083049 930436099 /nfs/dbraw/zinc/43/60/99/930436099.db2.gz BTOLONXWXVCFSZ-JTQLQIEISA-N 1 2 288.413 1.081 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@](C)(CC)C1 ZINC000884141160 930456879 /nfs/dbraw/zinc/45/68/79/930456879.db2.gz RHSJGFDNUJUPGL-SWLSCSKDSA-N 1 2 282.384 1.472 20 30 CDEDLO N#Cc1ccc(CCN2CCC(F)(F)[C@@H]([NH3+])C2)cc1 ZINC001206646811 937423683 /nfs/dbraw/zinc/42/36/83/937423683.db2.gz DUBQYXBWIMAXPU-ZDUSSCGKSA-N 1 2 265.307 1.769 20 30 CDEDLO O[C@@H]1CCC[C@H]1NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000817332796 930506355 /nfs/dbraw/zinc/50/63/55/930506355.db2.gz SITLYFNUVYTYGI-HUUCEWRRSA-N 1 2 270.336 1.709 20 30 CDEDLO Oc1c(F)cc(F)cc1C=NNCCC[NH+]1CCOCC1 ZINC000884462293 930572722 /nfs/dbraw/zinc/57/27/22/930572722.db2.gz ZZPZBSNQJGWGJZ-UHFFFAOYSA-N 1 2 299.321 1.316 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NCCN1CCNC1=O ZINC000884692414 930625124 /nfs/dbraw/zinc/62/51/24/930625124.db2.gz XEAWBZUDSVVRJN-UHFFFAOYSA-N 1 2 288.351 1.311 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)[C@H](C)CCC)C1 ZINC000885512219 930730886 /nfs/dbraw/zinc/73/08/86/930730886.db2.gz UIEJXOPTCRXGTE-CHWSQXEVSA-N 1 2 272.414 1.192 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)[C@H](C)CCC)C1 ZINC000885512219 930730892 /nfs/dbraw/zinc/73/08/92/930730892.db2.gz UIEJXOPTCRXGTE-CHWSQXEVSA-N 1 2 272.414 1.192 20 30 CDEDLO C#Cc1ccc(NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)c(Cl)c1 ZINC000885670197 930744775 /nfs/dbraw/zinc/74/47/75/930744775.db2.gz WAFXNZXQWNIPCT-IAQYHMDHSA-N 1 2 292.766 1.715 20 30 CDEDLO C#Cc1ccc(NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)c(Cl)c1 ZINC000885670197 930744782 /nfs/dbraw/zinc/74/47/82/930744782.db2.gz WAFXNZXQWNIPCT-IAQYHMDHSA-N 1 2 292.766 1.715 20 30 CDEDLO CCOC(=O)C(C)(C)[NH2+]C[C@@H](O)CC1(C#N)CCC1 ZINC000885983516 930782904 /nfs/dbraw/zinc/78/29/04/930782904.db2.gz ILNZNFOGDSOIRH-NSHDSACASA-N 1 2 268.357 1.363 20 30 CDEDLO CC[C@H](C)[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)C(=O)OC ZINC000886130070 930810481 /nfs/dbraw/zinc/81/04/81/930810481.db2.gz VDQPMXDAZMGMQX-AVGNSLFASA-N 1 2 282.384 1.609 20 30 CDEDLO CC(C)c1nc(CO[NH+]=C(N)Cc2cccnc2)no1 ZINC000137645915 930861502 /nfs/dbraw/zinc/86/15/02/930861502.db2.gz OWEOZTLZHDLMIY-UHFFFAOYSA-N 1 2 275.312 1.620 20 30 CDEDLO N#Cc1c(Cl)nsc1N1CCc2[nH+]c[nH]c2C1 ZINC000820581402 930937729 /nfs/dbraw/zinc/93/77/29/930937729.db2.gz SVYNBYFKAQJSAA-UHFFFAOYSA-N 1 2 265.729 1.954 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NC[C@]1(O)CCOC1 ZINC000820681275 930949901 /nfs/dbraw/zinc/94/99/01/930949901.db2.gz HIYYKOVCXSPJBZ-OAHLLOKOSA-N 1 2 276.336 1.437 20 30 CDEDLO C=CCC1(O)CC[NH+]([C@@H](C)c2nnnn2C2CC2)CC1 ZINC000886776797 930956488 /nfs/dbraw/zinc/95/64/88/930956488.db2.gz PMNZAJMYAJJHAN-NSHDSACASA-N 1 2 277.372 1.472 20 30 CDEDLO N#CCC[N@H+]1CCCC[C@]12CC(=O)N(Cc1cnoc1)C2 ZINC001274032666 931131896 /nfs/dbraw/zinc/13/18/96/931131896.db2.gz USHOOOTZDLBCRR-OAHLLOKOSA-N 1 2 288.351 1.545 20 30 CDEDLO N#CCC[N@@H+]1CCCC[C@]12CC(=O)N(Cc1cnoc1)C2 ZINC001274032666 931131901 /nfs/dbraw/zinc/13/19/01/931131901.db2.gz USHOOOTZDLBCRR-OAHLLOKOSA-N 1 2 288.351 1.545 20 30 CDEDLO N#CCC[NH+]1CCC2(C[C@H]2C(=O)NCc2ccncc2)CC1 ZINC001274032648 931136145 /nfs/dbraw/zinc/13/61/45/931136145.db2.gz UKXSGIXUTBJXEW-HNNXBMFYSA-N 1 2 298.390 1.714 20 30 CDEDLO C#CCO[C@H](C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000822814624 931210267 /nfs/dbraw/zinc/21/02/67/931210267.db2.gz SWRFEUWEQFIMAV-CYBMUJFWSA-N 1 2 283.331 1.527 20 30 CDEDLO COC(=O)N1CCC[N@H+](Cc2cncc(C#N)c2)CC1 ZINC001144074376 931646912 /nfs/dbraw/zinc/64/69/12/931646912.db2.gz LAAIBCSNWTUARH-UHFFFAOYSA-N 1 2 274.324 1.227 20 30 CDEDLO COC(=O)N1CCC[N@@H+](Cc2cncc(C#N)c2)CC1 ZINC001144074376 931646913 /nfs/dbraw/zinc/64/69/13/931646913.db2.gz LAAIBCSNWTUARH-UHFFFAOYSA-N 1 2 274.324 1.227 20 30 CDEDLO CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC001144163225 931677682 /nfs/dbraw/zinc/67/76/82/931677682.db2.gz VUTWYRSQXXLJFP-OAHLLOKOSA-N 1 2 286.379 1.834 20 30 CDEDLO CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cn1 ZINC001144163225 931677685 /nfs/dbraw/zinc/67/76/85/931677685.db2.gz VUTWYRSQXXLJFP-OAHLLOKOSA-N 1 2 286.379 1.834 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3cc(C#N)ccc3Cl)C[C@@H]21 ZINC001275312449 931730945 /nfs/dbraw/zinc/73/09/45/931730945.db2.gz SNAOQEMVDFYKCV-GJZGRUSLSA-N 1 2 291.782 1.726 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3cc(C#N)ccc3Cl)C[C@@H]21 ZINC001275312449 931730952 /nfs/dbraw/zinc/73/09/52/931730952.db2.gz SNAOQEMVDFYKCV-GJZGRUSLSA-N 1 2 291.782 1.726 20 30 CDEDLO CN1CCO[C@H]2C[N@H+](Cc3cc(C#N)ccc3Cl)C[C@@H]21 ZINC001275312449 931730956 /nfs/dbraw/zinc/73/09/56/931730956.db2.gz SNAOQEMVDFYKCV-GJZGRUSLSA-N 1 2 291.782 1.726 20 30 CDEDLO CN1CCO[C@H]2C[N@@H+](Cc3cc(C#N)ccc3Cl)C[C@@H]21 ZINC001275312449 931730960 /nfs/dbraw/zinc/73/09/60/931730960.db2.gz SNAOQEMVDFYKCV-GJZGRUSLSA-N 1 2 291.782 1.726 20 30 CDEDLO CC[C@H](C#N)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000845270513 931792235 /nfs/dbraw/zinc/79/22/35/931792235.db2.gz UWSWOKWMMABMDL-NEPJUHHUSA-N 1 2 262.357 1.964 20 30 CDEDLO Cn1cc(C[NH+]2CC3(CN(Cc4ccc[nH]4)C3)C2)cc1C#N ZINC001275854797 932094819 /nfs/dbraw/zinc/09/48/19/932094819.db2.gz IIEQRXQXATWTRL-UHFFFAOYSA-N 1 2 295.390 1.543 20 30 CDEDLO C#C[C@H]1CCC[N@@H+](Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000847019957 932183013 /nfs/dbraw/zinc/18/30/13/932183013.db2.gz TXHCVRAWUGYXLV-ZDUSSCGKSA-N 1 2 277.389 1.935 20 30 CDEDLO C#C[C@H]1CCC[N@H+](Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000847019957 932183021 /nfs/dbraw/zinc/18/30/21/932183021.db2.gz TXHCVRAWUGYXLV-ZDUSSCGKSA-N 1 2 277.389 1.935 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2cnn(C)c2C)nn1 ZINC001118445889 937627793 /nfs/dbraw/zinc/62/77/93/937627793.db2.gz CIACDXNBQLPMKD-NSHDSACASA-N 1 2 274.372 1.747 20 30 CDEDLO CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cccc(C#N)c1O ZINC000925103238 932852538 /nfs/dbraw/zinc/85/25/38/932852538.db2.gz HRIBXMMBQOWBRQ-TZMCWYRMSA-N 1 2 287.363 1.925 20 30 CDEDLO N#C[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000928216715 933127061 /nfs/dbraw/zinc/12/70/61/933127061.db2.gz JZFZXDQGPQSATC-NWDGAFQWSA-N 1 2 258.325 1.208 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@](C)(C#N)CC ZINC000928647500 933168437 /nfs/dbraw/zinc/16/84/37/933168437.db2.gz LIOQHDKTRFAKCR-GXTWGEPZSA-N 1 2 267.373 1.153 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928648437 933170080 /nfs/dbraw/zinc/17/00/80/933170080.db2.gz UVUTUENVCZLKPX-CYBMUJFWSA-N 1 2 268.401 1.816 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C(COC)COC)c1 ZINC000929290514 933223062 /nfs/dbraw/zinc/22/30/62/933223062.db2.gz VNEBRJJGXPPALC-UHFFFAOYSA-N 1 2 290.363 1.200 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C(COC)COC)c1 ZINC000929290514 933223066 /nfs/dbraw/zinc/22/30/66/933223066.db2.gz VNEBRJJGXPPALC-UHFFFAOYSA-N 1 2 290.363 1.200 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](CCCNC(=O)C(F)(F)F)C1 ZINC000932154349 933674863 /nfs/dbraw/zinc/67/48/63/933674863.db2.gz VMWUZGQKZPMSCW-VIFPVBQESA-N 1 2 263.263 1.291 20 30 CDEDLO N#C[C@@H]1CCC[N@H+](CCCNC(=O)C(F)(F)F)C1 ZINC000932154349 933674867 /nfs/dbraw/zinc/67/48/67/933674867.db2.gz VMWUZGQKZPMSCW-VIFPVBQESA-N 1 2 263.263 1.291 20 30 CDEDLO C#CCOc1cccc(Cl)c1C[NH2+]CC(=O)NCCC ZINC000778150662 933786299 /nfs/dbraw/zinc/78/62/99/933786299.db2.gz AZBUKVDFMBWDSD-UHFFFAOYSA-N 1 2 294.782 1.968 20 30 CDEDLO COc1cc(C#N)ccc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000934912312 933999941 /nfs/dbraw/zinc/99/99/41/933999941.db2.gz KQVPDAKWPYTCEA-UHFFFAOYSA-N 1 2 298.346 1.926 20 30 CDEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)OCCn2cc[nH+]c2)cc1 ZINC000795820404 934937140 /nfs/dbraw/zinc/93/71/40/934937140.db2.gz UKSDHAKTGJOZAL-HNNXBMFYSA-N 1 2 294.314 1.680 20 30 CDEDLO N#Cc1cccnc1NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001412883702 935074930 /nfs/dbraw/zinc/07/49/30/935074930.db2.gz VQJYGXLATVDOLR-ZDUSSCGKSA-N 1 2 286.335 1.145 20 30 CDEDLO Cc1cn(C(C)(C)C(=O)N[C@H]2CCCN(CC#N)C2)c[nH+]1 ZINC001007617734 935386170 /nfs/dbraw/zinc/38/61/70/935386170.db2.gz IIKAAHVLUZLMRN-ZDUSSCGKSA-N 1 2 289.383 1.031 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc(C3CC3)s2)C1 ZINC001009285399 935422969 /nfs/dbraw/zinc/42/29/69/935422969.db2.gz DIPKEMIRQFTMPM-LBPRGKRZSA-N 1 2 289.404 1.848 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc(C3CC3)s2)C1 ZINC001009285399 935422971 /nfs/dbraw/zinc/42/29/71/935422971.db2.gz DIPKEMIRQFTMPM-LBPRGKRZSA-N 1 2 289.404 1.848 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC001010268062 935451091 /nfs/dbraw/zinc/45/10/91/935451091.db2.gz KKIUGHXDXBKOJP-CQSZACIVSA-N 1 2 295.346 1.286 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC001010268062 935451092 /nfs/dbraw/zinc/45/10/92/935451092.db2.gz KKIUGHXDXBKOJP-CQSZACIVSA-N 1 2 295.346 1.286 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010671265 935465524 /nfs/dbraw/zinc/46/55/24/935465524.db2.gz SHCGLPIPSDMFKA-NSHDSACASA-N 1 2 278.743 1.443 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010671265 935465526 /nfs/dbraw/zinc/46/55/26/935465526.db2.gz SHCGLPIPSDMFKA-NSHDSACASA-N 1 2 278.743 1.443 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccoc1C1CC1 ZINC001038626603 935508733 /nfs/dbraw/zinc/50/87/33/935508733.db2.gz RALBVZJXJQEQEB-GFCCVEGCSA-N 1 2 258.321 1.594 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccoc1C1CC1 ZINC001038626603 935508737 /nfs/dbraw/zinc/50/87/37/935508737.db2.gz RALBVZJXJQEQEB-GFCCVEGCSA-N 1 2 258.321 1.594 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c(C)ncn2C)C1 ZINC001014825674 935552257 /nfs/dbraw/zinc/55/22/57/935552257.db2.gz WOKRERKWOQLMRW-LLVKDONJSA-N 1 2 282.775 1.285 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)ncn2C)C1 ZINC001014825674 935552259 /nfs/dbraw/zinc/55/22/59/935552259.db2.gz WOKRERKWOQLMRW-LLVKDONJSA-N 1 2 282.775 1.285 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc3occc3s2)C1 ZINC001015694625 935581490 /nfs/dbraw/zinc/58/14/90/935581490.db2.gz WTXUHMUBWZOQBG-SNVBAGLBSA-N 1 2 274.345 1.932 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc3occc3s2)C1 ZINC001015694625 935581491 /nfs/dbraw/zinc/58/14/91/935581491.db2.gz WTXUHMUBWZOQBG-SNVBAGLBSA-N 1 2 274.345 1.932 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC001015909460 935593235 /nfs/dbraw/zinc/59/32/35/935593235.db2.gz XEKOIHYJQBAUIY-DGCLKSJQSA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC001015909460 935593236 /nfs/dbraw/zinc/59/32/36/935593236.db2.gz XEKOIHYJQBAUIY-DGCLKSJQSA-N 1 2 272.776 1.356 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1O ZINC001017369916 935636710 /nfs/dbraw/zinc/63/67/10/935636710.db2.gz RMFLPAUWJWSNDX-OKILXGFUSA-N 1 2 284.359 1.704 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1O ZINC001017369916 935636712 /nfs/dbraw/zinc/63/67/12/935636712.db2.gz RMFLPAUWJWSNDX-OKILXGFUSA-N 1 2 284.359 1.704 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cccn2cn1 ZINC001017650990 935645283 /nfs/dbraw/zinc/64/52/83/935645283.db2.gz AOTIZQRMVVMERX-GASCZTMLSA-N 1 2 296.374 1.809 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cccn2cn1 ZINC001017650990 935645285 /nfs/dbraw/zinc/64/52/85/935645285.db2.gz AOTIZQRMVVMERX-GASCZTMLSA-N 1 2 296.374 1.809 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccn2nccc12 ZINC001017703992 935647203 /nfs/dbraw/zinc/64/72/03/935647203.db2.gz LFJVAYFWUJSVBN-OKILXGFUSA-N 1 2 294.358 1.256 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccn2nccc12 ZINC001017703992 935647205 /nfs/dbraw/zinc/64/72/05/935647205.db2.gz LFJVAYFWUJSVBN-OKILXGFUSA-N 1 2 294.358 1.256 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCOC[C@@H]1C ZINC001017912334 935654638 /nfs/dbraw/zinc/65/46/38/935654638.db2.gz DPGNYTHHLXQDPZ-JONQDZQNSA-N 1 2 290.407 1.358 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCOC[C@@H]1C ZINC001017912334 935654642 /nfs/dbraw/zinc/65/46/42/935654642.db2.gz DPGNYTHHLXQDPZ-JONQDZQNSA-N 1 2 290.407 1.358 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)c1cccnc1 ZINC001018024325 935658598 /nfs/dbraw/zinc/65/85/98/935658598.db2.gz RHVFJJXCDYHCQC-BHYGNILZSA-N 1 2 297.402 1.884 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)c1cccnc1 ZINC001018024325 935658600 /nfs/dbraw/zinc/65/86/00/935658600.db2.gz RHVFJJXCDYHCQC-BHYGNILZSA-N 1 2 297.402 1.884 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2ncccn2n1 ZINC001018086323 935659375 /nfs/dbraw/zinc/65/93/75/935659375.db2.gz MRYSNNFZDBHSMN-BETUJISGSA-N 1 2 297.362 1.204 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2ncccn2n1 ZINC001018086323 935659378 /nfs/dbraw/zinc/65/93/78/935659378.db2.gz MRYSNNFZDBHSMN-BETUJISGSA-N 1 2 297.362 1.204 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(OC)cc1 ZINC001018210877 935662481 /nfs/dbraw/zinc/66/24/81/935662481.db2.gz QZPIPSBJHJJGMO-IYBDPMFKSA-N 1 2 298.386 1.546 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(OC)cc1 ZINC001018210877 935662484 /nfs/dbraw/zinc/66/24/84/935662484.db2.gz QZPIPSBJHJJGMO-IYBDPMFKSA-N 1 2 298.386 1.546 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]cc1C ZINC001018268673 935663977 /nfs/dbraw/zinc/66/39/77/935663977.db2.gz BPOVDDGFNZQIEH-OKILXGFUSA-N 1 2 271.364 1.635 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]cc1C ZINC001018268673 935663979 /nfs/dbraw/zinc/66/39/79/935663979.db2.gz BPOVDDGFNZQIEH-OKILXGFUSA-N 1 2 271.364 1.635 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncccc1C ZINC001038158645 935736168 /nfs/dbraw/zinc/73/61/68/935736168.db2.gz SEUNVVYPMJARTQ-CYBMUJFWSA-N 1 2 257.337 1.217 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncccc1C ZINC001038158645 935736172 /nfs/dbraw/zinc/73/61/72/935736172.db2.gz SEUNVVYPMJARTQ-CYBMUJFWSA-N 1 2 257.337 1.217 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2c[nH]nc21 ZINC001038260968 935738153 /nfs/dbraw/zinc/73/81/53/935738153.db2.gz IKFVCAZGCZNLRS-KGLIPLIRSA-N 1 2 286.379 1.043 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2c[nH]nc21 ZINC001038260968 935738155 /nfs/dbraw/zinc/73/81/55/935738155.db2.gz IKFVCAZGCZNLRS-KGLIPLIRSA-N 1 2 286.379 1.043 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnn1[C@@H](C)CC ZINC001038313141 935741369 /nfs/dbraw/zinc/74/13/69/935741369.db2.gz WOYARQORPQGJQU-KBPBESRZSA-N 1 2 288.395 1.682 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnn1[C@@H](C)CC ZINC001038313141 935741371 /nfs/dbraw/zinc/74/13/71/935741371.db2.gz WOYARQORPQGJQU-KBPBESRZSA-N 1 2 288.395 1.682 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1n[nH]c(CC)c1Cl ZINC001038356547 935742111 /nfs/dbraw/zinc/74/21/11/935742111.db2.gz JYHZKGNVHGVTPT-JTQLQIEISA-N 1 2 294.786 1.453 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1n[nH]c(CC)c1Cl ZINC001038356547 935742115 /nfs/dbraw/zinc/74/21/15/935742115.db2.gz JYHZKGNVHGVTPT-JTQLQIEISA-N 1 2 294.786 1.453 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1C/C=C/Cl ZINC001038800001 935757744 /nfs/dbraw/zinc/75/77/44/935757744.db2.gz YWUVHESBTNPICW-MXFADWRWSA-N 1 2 298.814 1.911 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1C/C=C/Cl ZINC001038800001 935757745 /nfs/dbraw/zinc/75/77/45/935757745.db2.gz YWUVHESBTNPICW-MXFADWRWSA-N 1 2 298.814 1.911 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnoc1-c1ccccc1 ZINC001038857966 935759767 /nfs/dbraw/zinc/75/97/67/935759767.db2.gz AQJIBGMHRBUXHF-AWEZNQCLSA-N 1 2 295.342 1.779 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnoc1-c1ccccc1 ZINC001038857966 935759768 /nfs/dbraw/zinc/75/97/68/935759768.db2.gz AQJIBGMHRBUXHF-AWEZNQCLSA-N 1 2 295.342 1.779 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1noc2c1C[C@H](C)CC2 ZINC001038869087 935759877 /nfs/dbraw/zinc/75/98/77/935759877.db2.gz DUFUYEDTTKWKNJ-NEPJUHHUSA-N 1 2 287.363 1.237 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1noc2c1C[C@H](C)CC2 ZINC001038869087 935759879 /nfs/dbraw/zinc/75/98/79/935759879.db2.gz DUFUYEDTTKWKNJ-NEPJUHHUSA-N 1 2 287.363 1.237 20 30 CDEDLO C=CCOc1cccnc1C(=O)NC[C@H]1CC[N@H+]1CC#CC ZINC001038904630 935762045 /nfs/dbraw/zinc/76/20/45/935762045.db2.gz JVJHPQRSMLDZDT-CQSZACIVSA-N 1 2 299.374 1.474 20 30 CDEDLO C=CCOc1cccnc1C(=O)NC[C@H]1CC[N@@H+]1CC#CC ZINC001038904630 935762047 /nfs/dbraw/zinc/76/20/47/935762047.db2.gz JVJHPQRSMLDZDT-CQSZACIVSA-N 1 2 299.374 1.474 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ncccc1OCC=C ZINC001038902727 935762463 /nfs/dbraw/zinc/76/24/63/935762463.db2.gz AUVZNYNHFVWYLA-ZDUSSCGKSA-N 1 2 285.347 1.084 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncccc1OCC=C ZINC001038902727 935762464 /nfs/dbraw/zinc/76/24/64/935762464.db2.gz AUVZNYNHFVWYLA-ZDUSSCGKSA-N 1 2 285.347 1.084 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn2c(cccc2C)n1 ZINC001039006729 935765456 /nfs/dbraw/zinc/76/54/56/935765456.db2.gz UFVMKTIRAYTNRW-CYBMUJFWSA-N 1 2 282.347 1.080 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn2c(cccc2C)n1 ZINC001039006729 935765462 /nfs/dbraw/zinc/76/54/62/935765462.db2.gz UFVMKTIRAYTNRW-CYBMUJFWSA-N 1 2 282.347 1.080 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(COC)cc1 ZINC001039006935 935766179 /nfs/dbraw/zinc/76/61/79/935766179.db2.gz DIUINKUAUUOJBN-HNNXBMFYSA-N 1 2 272.348 1.270 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(COC)cc1 ZINC001039006935 935766181 /nfs/dbraw/zinc/76/61/81/935766181.db2.gz DIUINKUAUUOJBN-HNNXBMFYSA-N 1 2 272.348 1.270 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn[nH]n1 ZINC001039398536 935774315 /nfs/dbraw/zinc/77/43/15/935774315.db2.gz AXIZWFKFESNBFU-MNOVXSKESA-N 1 2 295.774 1.236 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn[nH]n1 ZINC001039398536 935774319 /nfs/dbraw/zinc/77/43/19/935774319.db2.gz AXIZWFKFESNBFU-MNOVXSKESA-N 1 2 295.774 1.236 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccccc2F)C1 ZINC001042423563 935820093 /nfs/dbraw/zinc/82/00/93/935820093.db2.gz VKHZOXDUDSPXFS-UHFFFAOYSA-N 1 2 260.312 1.605 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc3c([nH]2)CCOC3)C1 ZINC001042895508 935830909 /nfs/dbraw/zinc/83/09/09/935830909.db2.gz YUMXJOMGJFLCBU-UHFFFAOYSA-N 1 2 289.379 1.420 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCCn3nccc32)C1 ZINC001043130276 935834054 /nfs/dbraw/zinc/83/40/54/935834054.db2.gz DGCPCDVIEWHRHA-ZDUSSCGKSA-N 1 2 274.368 1.089 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c[nH]nc2CCC)C1 ZINC001043194715 935834510 /nfs/dbraw/zinc/83/45/10/935834510.db2.gz FSVGUGITGIWCRI-UHFFFAOYSA-N 1 2 276.384 1.695 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(CC)nnc2C)C1 ZINC001043459945 935839413 /nfs/dbraw/zinc/83/94/13/935839413.db2.gz YUUDJUMXLFLZBM-UHFFFAOYSA-N 1 2 288.395 1.680 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ocnc2CC)C1 ZINC001043812564 935844021 /nfs/dbraw/zinc/84/40/21/935844021.db2.gz BNLBFIOBABYMJL-UHFFFAOYSA-N 1 2 261.325 1.017 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2conc2CC)C1 ZINC001043784861 935844595 /nfs/dbraw/zinc/84/45/95/935844595.db2.gz PWWMVPZHPJAGEC-UHFFFAOYSA-N 1 2 261.325 1.017 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC001044162488 935852519 /nfs/dbraw/zinc/85/25/19/935852519.db2.gz ZHXXQNFFVQXIKV-UHFFFAOYSA-N 1 2 288.395 1.621 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001044162488 935852522 /nfs/dbraw/zinc/85/25/22/935852522.db2.gz ZHXXQNFFVQXIKV-UHFFFAOYSA-N 1 2 288.395 1.621 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2Cc3cccnc3C2)C1 ZINC001044231354 935855154 /nfs/dbraw/zinc/85/51/54/935855154.db2.gz OWSRKSGLWJZNNK-AWEZNQCLSA-N 1 2 285.391 1.515 20 30 CDEDLO C=C(Cl)CN1CC(N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001044233041 935855654 /nfs/dbraw/zinc/85/56/54/935855654.db2.gz QXGKWVSOPXRYCS-UHFFFAOYSA-N 1 2 282.775 1.156 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2c(C)cc(=O)[nH]c2C)C1 ZINC001044322097 935857438 /nfs/dbraw/zinc/85/74/38/935857438.db2.gz ZRDVFVOQNNBHEW-UHFFFAOYSA-N 1 2 275.352 1.346 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001044355699 935858261 /nfs/dbraw/zinc/85/82/61/935858261.db2.gz YFSKVVSVCHBEKN-OPTZYUCBSA-N 1 2 260.381 1.607 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000800365730 935899584 /nfs/dbraw/zinc/89/95/84/935899584.db2.gz NAPBKCLOEVGECQ-MJBXVCDLSA-N 1 2 293.367 1.036 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000800365730 935899588 /nfs/dbraw/zinc/89/95/88/935899588.db2.gz NAPBKCLOEVGECQ-MJBXVCDLSA-N 1 2 293.367 1.036 20 30 CDEDLO N#CC1(c2ccccn2)CC[NH+](CC2OCCO2)CC1 ZINC000800408153 935902482 /nfs/dbraw/zinc/90/24/82/935902482.db2.gz LWZFHWJNKFBNNW-UHFFFAOYSA-N 1 2 273.336 1.312 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccon1 ZINC001049373836 936141185 /nfs/dbraw/zinc/14/11/85/936141185.db2.gz VQXCOCKRAKQNGV-MRVWCRGKSA-N 1 2 288.351 1.400 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ccon1 ZINC001049373836 936141187 /nfs/dbraw/zinc/14/11/87/936141187.db2.gz VQXCOCKRAKQNGV-MRVWCRGKSA-N 1 2 288.351 1.400 20 30 CDEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1Nc1cnn(C)c1 ZINC001121619779 937878173 /nfs/dbraw/zinc/87/81/73/937878173.db2.gz CAGAQKGIINUGTR-UHFFFAOYSA-N 1 2 298.354 1.266 20 30 CDEDLO Cc1cc(Cl)c(C)c(N2CC[NH2+]C[C@@H]2C#N)n1 ZINC001156319866 938351096 /nfs/dbraw/zinc/35/10/96/938351096.db2.gz HWUMTWJMEBOUQP-JTQLQIEISA-N 1 2 250.733 1.654 20 30 CDEDLO CC#CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc2[nH]nnc2c1 ZINC001156833955 938424614 /nfs/dbraw/zinc/42/46/14/938424614.db2.gz RVBMPDUZOBYGHB-GFCCVEGCSA-N 1 2 299.378 1.421 20 30 CDEDLO CC#CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc2[nH]nnc2c1 ZINC001156833955 938424616 /nfs/dbraw/zinc/42/46/16/938424616.db2.gz RVBMPDUZOBYGHB-GFCCVEGCSA-N 1 2 299.378 1.421 20 30 CDEDLO C#CCCCC(=O)NCCC[NH2+]CC(F)(F)C(F)F ZINC001157177808 938463204 /nfs/dbraw/zinc/46/32/04/938463204.db2.gz NQMKMWAUUSKFDK-UHFFFAOYSA-N 1 2 282.281 1.786 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3c(c2)C(=O)OC3)CC1 ZINC001157181131 938463503 /nfs/dbraw/zinc/46/35/03/938463503.db2.gz CTARQHQIMPNKHS-UHFFFAOYSA-N 1 2 286.331 1.301 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Nc2nc(Cl)c(F)cc2C#N)C[NH2+]1 ZINC001158251742 938599871 /nfs/dbraw/zinc/59/98/71/938599871.db2.gz QZTUCRYTAOWCOV-APPZFPTMSA-N 1 2 298.705 1.061 20 30 CDEDLO Cc1nc(N2CC([NH+]3C[C@H](C)O[C@@H](C)C3)C2)ccc1C#N ZINC001158718244 938656341 /nfs/dbraw/zinc/65/63/41/938656341.db2.gz RKVHHPMPJBYAGQ-RYUDHWBXSA-N 1 2 286.379 1.560 20 30 CDEDLO CSc1cc[nH+]c(N[C@@H]2C(=O)N(O)C[C@@H]2C)c1 ZINC001160176147 938773835 /nfs/dbraw/zinc/77/38/35/938773835.db2.gz HXXPEGSKSNGZGR-XVKPBYJWSA-N 1 2 253.327 1.452 20 30 CDEDLO COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1cc(C)c(C#N)cn1 ZINC001160692154 938815060 /nfs/dbraw/zinc/81/50/60/938815060.db2.gz DUEJBGXOMYGTMO-CYBMUJFWSA-N 1 2 299.334 1.191 20 30 CDEDLO C[C@H]1C[N@H+](CCNc2cc(F)ccc2C#N)CCO1 ZINC001162367504 939036428 /nfs/dbraw/zinc/03/64/28/939036428.db2.gz ZFXGBHJXFZQNOH-NSHDSACASA-N 1 2 263.316 1.830 20 30 CDEDLO C[C@H]1C[N@@H+](CCNc2cc(F)ccc2C#N)CCO1 ZINC001162367504 939036432 /nfs/dbraw/zinc/03/64/32/939036432.db2.gz ZFXGBHJXFZQNOH-NSHDSACASA-N 1 2 263.316 1.830 20 30 CDEDLO Cc1cc(N(C(N)=[NH2+])c2ccc(CC#N)c(C)n2)[nH]n1 ZINC001163511305 939279866 /nfs/dbraw/zinc/27/98/66/939279866.db2.gz DIIJUFBJFMHJIU-UHFFFAOYSA-N 1 2 269.312 1.519 20 30 CDEDLO CC#CCCCC(=O)NCCC[NH2+][C@H](C)c1noc(C)n1 ZINC001164245299 939440679 /nfs/dbraw/zinc/44/06/79/939440679.db2.gz ZXJQCQOHUBICDK-GFCCVEGCSA-N 1 2 292.383 1.729 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](Cc2cn(-c3cnccn3)cn2)C1 ZINC001238809552 945253553 /nfs/dbraw/zinc/25/35/53/945253553.db2.gz AHEDPPNGWBMVQX-CYBMUJFWSA-N 1 2 282.351 1.788 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](Cc2cn(-c3cnccn3)cn2)C1 ZINC001238809552 945253559 /nfs/dbraw/zinc/25/35/59/945253559.db2.gz AHEDPPNGWBMVQX-CYBMUJFWSA-N 1 2 282.351 1.788 20 30 CDEDLO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[NH2+]C[C@H]1C#N ZINC001164653027 939502432 /nfs/dbraw/zinc/50/24/32/939502432.db2.gz ZEVUTWMQTYDUOS-SECBINFHSA-N 1 2 297.696 1.453 20 30 CDEDLO CN1C(=O)CC[C@@H]2[C@H]1CCN2c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001166193053 939598053 /nfs/dbraw/zinc/59/80/53/939598053.db2.gz YWKCCRJBJFEPRU-CHWSQXEVSA-N 1 2 295.346 1.634 20 30 CDEDLO CC(=O)OC1CN(c2[nH+]ccc3ccc(C#N)cc32)C1 ZINC001166638038 939621561 /nfs/dbraw/zinc/62/15/61/939621561.db2.gz UBBVVSJBSNFCGA-UHFFFAOYSA-N 1 2 267.288 1.858 20 30 CDEDLO N#Cc1ccc(C[NH+]2CC(N3CCOCC3)C2)cc1 ZINC001203903393 939712814 /nfs/dbraw/zinc/71/28/14/939712814.db2.gz DTGDKWOAHFANGJ-UHFFFAOYSA-N 1 2 257.337 1.075 20 30 CDEDLO C=CCOC(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001204099553 939733074 /nfs/dbraw/zinc/73/30/74/939733074.db2.gz ZUBKWEBQNBPFLA-UHFFFAOYSA-N 1 2 276.336 1.832 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc(C)no2)C[C@H]1C ZINC001206509552 940051463 /nfs/dbraw/zinc/05/14/63/940051463.db2.gz NZIHNDIQBRBAML-NQBHXWOUSA-N 1 2 292.383 1.842 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc(C)no2)C[C@H]1C ZINC001206509552 940051464 /nfs/dbraw/zinc/05/14/64/940051464.db2.gz NZIHNDIQBRBAML-NQBHXWOUSA-N 1 2 292.383 1.842 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ncc(F)cc2F)CC1 ZINC001207099267 940148907 /nfs/dbraw/zinc/14/89/07/940148907.db2.gz PKEJVHXSUCOGDT-UHFFFAOYSA-N 1 2 251.280 1.111 20 30 CDEDLO Cc1ncc(C[N@@H+](C)Cc2cc(C#N)n(C)c2)cn1 ZINC001207109709 940151802 /nfs/dbraw/zinc/15/18/02/940151802.db2.gz SLLDPQTUXUQCNR-UHFFFAOYSA-N 1 2 255.325 1.627 20 30 CDEDLO Cc1ncc(C[N@H+](C)Cc2cc(C#N)n(C)c2)cn1 ZINC001207109709 940151805 /nfs/dbraw/zinc/15/18/05/940151805.db2.gz SLLDPQTUXUQCNR-UHFFFAOYSA-N 1 2 255.325 1.627 20 30 CDEDLO O=C1C=C2C[N@@H+](CCCn3cccn3)CC[C@@H]2S1 ZINC001208076786 940283311 /nfs/dbraw/zinc/28/33/11/940283311.db2.gz QHZXDSDELZUQFP-LBPRGKRZSA-N 1 2 263.366 1.547 20 30 CDEDLO O=C1C=C2C[N@H+](CCCn3cccn3)CC[C@@H]2S1 ZINC001208076786 940283313 /nfs/dbraw/zinc/28/33/13/940283313.db2.gz QHZXDSDELZUQFP-LBPRGKRZSA-N 1 2 263.366 1.547 20 30 CDEDLO N#Cc1cncc(Nc2ccc(N3CC[C@H](O)C3)[nH+]c2)c1 ZINC001210084483 940662418 /nfs/dbraw/zinc/66/24/18/940662418.db2.gz HMOZNNILLJZTKP-AWEZNQCLSA-N 1 2 281.319 1.663 20 30 CDEDLO COC(=O)[C@@H]([NH3+])CC(=O)Nc1c(F)cc(C#N)cc1Cl ZINC001218994284 941298814 /nfs/dbraw/zinc/29/88/14/941298814.db2.gz CALIZKGFDWYVGC-VIFPVBQESA-N 1 2 299.689 1.180 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)CCCCCC)[C@@H](O)C1 ZINC001220128093 941414011 /nfs/dbraw/zinc/41/40/11/941414011.db2.gz SGDCJJSFXSTWPR-OAGGEKHMSA-N 1 2 294.439 1.778 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)CCCCCC)[C@@H](O)C1 ZINC001220128093 941414013 /nfs/dbraw/zinc/41/40/13/941414013.db2.gz SGDCJJSFXSTWPR-OAGGEKHMSA-N 1 2 294.439 1.778 20 30 CDEDLO O=C1C=C[C@H](OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001224961333 941810207 /nfs/dbraw/zinc/81/02/07/941810207.db2.gz OVLZMBLVFFNTOL-DLBZAZTESA-N 1 2 287.359 1.802 20 30 CDEDLO O=C1C=C[C@H](OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001224961333 941810210 /nfs/dbraw/zinc/81/02/10/941810210.db2.gz OVLZMBLVFFNTOL-DLBZAZTESA-N 1 2 287.359 1.802 20 30 CDEDLO C[N+](C)(C)C[C@@H](CC#N)Oc1[nH]c(=O)nc2ncsc21 ZINC001227611890 942195906 /nfs/dbraw/zinc/19/59/06/942195906.db2.gz SWFBQGGIGRFZNA-MRVPVSSYSA-O 1 2 294.360 1.159 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc(Cl)ccc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227884907 942240241 /nfs/dbraw/zinc/24/02/41/942240241.db2.gz YUPNSXZQQOKTBW-MOGLMSHVSA-N 1 2 284.718 1.865 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc(Cl)ccc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227884907 942240242 /nfs/dbraw/zinc/24/02/42/942240242.db2.gz YUPNSXZQQOKTBW-MOGLMSHVSA-N 1 2 284.718 1.865 20 30 CDEDLO COc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c(C#N)c1 ZINC001228117584 942270866 /nfs/dbraw/zinc/27/08/66/942270866.db2.gz MCICEIRYLNSUAD-NQPNPBMCSA-N 1 2 286.331 1.558 20 30 CDEDLO COc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c(C#N)c1 ZINC001228117584 942270869 /nfs/dbraw/zinc/27/08/69/942270869.db2.gz MCICEIRYLNSUAD-NQPNPBMCSA-N 1 2 286.331 1.558 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccnc(Cl)c3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228576366 942336468 /nfs/dbraw/zinc/33/64/68/942336468.db2.gz CKYYETLYEDKQCP-NTBMCGCHSA-N 1 2 284.718 1.865 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccnc(Cl)c3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228576366 942336472 /nfs/dbraw/zinc/33/64/72/942336472.db2.gz CKYYETLYEDKQCP-NTBMCGCHSA-N 1 2 284.718 1.865 20 30 CDEDLO C/C(=N\O)c1ccccc1O[C@@H](C)C[NH+]1CCOCC1 ZINC001229737091 942522063 /nfs/dbraw/zinc/52/20/63/942522063.db2.gz PIDYWMKFYYQROI-UJUPCEQOSA-N 1 2 278.352 1.984 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)OCC(C)C ZINC001230975460 942747413 /nfs/dbraw/zinc/74/74/13/942747413.db2.gz GQLCISUZFPLLCG-UONOGXRCSA-N 1 2 266.385 1.213 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)OCC(C)C ZINC001230975460 942747415 /nfs/dbraw/zinc/74/74/15/942747415.db2.gz GQLCISUZFPLLCG-UONOGXRCSA-N 1 2 266.385 1.213 20 30 CDEDLO Cc1nc(C)c(C[N@H+]2CC[C@H]2CN(C)C(=O)[C@H](C)C#N)o1 ZINC001231293648 942846750 /nfs/dbraw/zinc/84/67/50/942846750.db2.gz PFXZIKVNUDBHTL-MFKMUULPSA-N 1 2 290.367 1.484 20 30 CDEDLO Cc1nc(C)c(C[N@@H+]2CC[C@H]2CN(C)C(=O)[C@H](C)C#N)o1 ZINC001231293648 942846754 /nfs/dbraw/zinc/84/67/54/942846754.db2.gz PFXZIKVNUDBHTL-MFKMUULPSA-N 1 2 290.367 1.484 20 30 CDEDLO C=CCOC(=O)c1ccc(OC[C@H]2C[N@H+](C)CCO2)cc1 ZINC001231302417 942848583 /nfs/dbraw/zinc/84/85/83/942848583.db2.gz ICHGULQLXYPESQ-OAHLLOKOSA-N 1 2 291.347 1.739 20 30 CDEDLO C=CCOC(=O)c1ccc(OC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001231302417 942848585 /nfs/dbraw/zinc/84/85/85/942848585.db2.gz ICHGULQLXYPESQ-OAHLLOKOSA-N 1 2 291.347 1.739 20 30 CDEDLO N#Cc1ccnc(C[N@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)c1 ZINC001232481723 943295287 /nfs/dbraw/zinc/29/52/87/943295287.db2.gz JYEJAXSXRJDTJO-OAHLLOKOSA-N 1 2 298.390 1.834 20 30 CDEDLO N#Cc1ccnc(C[N@@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)c1 ZINC001232481723 943295292 /nfs/dbraw/zinc/29/52/92/943295292.db2.gz JYEJAXSXRJDTJO-OAHLLOKOSA-N 1 2 298.390 1.834 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc3ccoc3cn2)CC1 ZINC001232554308 943327773 /nfs/dbraw/zinc/32/77/73/943327773.db2.gz RHEUYYQRGYGEGV-UHFFFAOYSA-N 1 2 255.321 1.579 20 30 CDEDLO C#CCN1CC[NH+](Cc2cc3ccoc3cn2)CC1 ZINC001232554308 943327777 /nfs/dbraw/zinc/32/77/77/943327777.db2.gz RHEUYYQRGYGEGV-UHFFFAOYSA-N 1 2 255.321 1.579 20 30 CDEDLO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2O)CCC[C@H]1O ZINC001232673749 943355131 /nfs/dbraw/zinc/35/51/31/943355131.db2.gz MIEDWIURXUJRSF-SMDDNHRTSA-N 1 2 260.337 1.857 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2O)CCC[C@H]1O ZINC001232673749 943355134 /nfs/dbraw/zinc/35/51/34/943355134.db2.gz MIEDWIURXUJRSF-SMDDNHRTSA-N 1 2 260.337 1.857 20 30 CDEDLO N#Cc1ccc(O)c(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC001232675931 943355918 /nfs/dbraw/zinc/35/59/18/943355918.db2.gz FOCPCIVDXAJSBI-OAHLLOKOSA-N 1 2 271.364 1.934 20 30 CDEDLO N#Cc1ccc(O)c(CN2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC001232675931 943355922 /nfs/dbraw/zinc/35/59/22/943355922.db2.gz FOCPCIVDXAJSBI-OAHLLOKOSA-N 1 2 271.364 1.934 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)c1 ZINC001232677911 943359168 /nfs/dbraw/zinc/35/91/68/943359168.db2.gz RSTNLIVVLAGMOW-QGZVFWFLSA-N 1 2 299.374 1.899 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@]3(CCCC(=O)N3)C2)c1 ZINC001232677911 943359170 /nfs/dbraw/zinc/35/91/70/943359170.db2.gz RSTNLIVVLAGMOW-QGZVFWFLSA-N 1 2 299.374 1.899 20 30 CDEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CNC(=O)O3)CC2)c1 ZINC001232678716 943360830 /nfs/dbraw/zinc/36/08/30/943360830.db2.gz NCKHAXKGQKJCIK-UHFFFAOYSA-N 1 2 287.319 1.338 20 30 CDEDLO N#Cc1ccc(C[NH+]2CC(N3CC[C@H](F)C3)C2)c(O)c1 ZINC001233386882 943572497 /nfs/dbraw/zinc/57/24/97/943572497.db2.gz LTYOYAZCZMNEBC-ZDUSSCGKSA-N 1 2 275.327 1.492 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1C ZINC001233529092 943608872 /nfs/dbraw/zinc/60/88/72/943608872.db2.gz FTABLFZCTBXCHH-CQSZACIVSA-N 1 2 289.379 1.119 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1C ZINC001233529092 943608874 /nfs/dbraw/zinc/60/88/74/943608874.db2.gz FTABLFZCTBXCHH-CQSZACIVSA-N 1 2 289.379 1.119 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc(C(C)=NO)cc2)C[N@@H+]1C ZINC001234082984 943737563 /nfs/dbraw/zinc/73/75/63/943737563.db2.gz CMSBRSGVHMFXQC-KGLIPLIRSA-N 1 2 292.335 1.509 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc(C(C)=NO)cc2)C[N@H+]1C ZINC001234082984 943737569 /nfs/dbraw/zinc/73/75/69/943737569.db2.gz CMSBRSGVHMFXQC-KGLIPLIRSA-N 1 2 292.335 1.509 20 30 CDEDLO Cn1c(C#N)ccc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001362215815 971027173 /nfs/dbraw/zinc/02/71/73/971027173.db2.gz VDWJHXWRTJZFOG-LLVKDONJSA-N 1 2 283.335 1.640 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)CC(F)F ZINC001235226263 944099346 /nfs/dbraw/zinc/09/93/46/944099346.db2.gz OQUHPJYDPQHPEL-NSHDSACASA-N 1 2 272.339 1.834 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)CC(F)F ZINC001235226263 944099350 /nfs/dbraw/zinc/09/93/50/944099350.db2.gz OQUHPJYDPQHPEL-NSHDSACASA-N 1 2 272.339 1.834 20 30 CDEDLO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@H+](CCC#N)C2 ZINC001277940502 944137704 /nfs/dbraw/zinc/13/77/04/944137704.db2.gz CCVQOBNAVTVZCH-RYUDHWBXSA-N 1 2 250.346 1.024 20 30 CDEDLO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+](CCC#N)C2 ZINC001277940502 944137706 /nfs/dbraw/zinc/13/77/06/944137706.db2.gz CCVQOBNAVTVZCH-RYUDHWBXSA-N 1 2 250.346 1.024 20 30 CDEDLO COC(OC)c1c(C#N)ccnc1C1=C[NH2+]CCC1 ZINC001243948970 947260635 /nfs/dbraw/zinc/26/06/35/947260635.db2.gz HVSWZLCIGZNYJK-UHFFFAOYSA-N 1 2 259.309 1.969 20 30 CDEDLO CCCC[N@H+](CC#N)C1CCN(CC(=O)OCC)CC1 ZINC001254412326 947425694 /nfs/dbraw/zinc/42/56/94/947425694.db2.gz ZRVFGCUTWKZZPF-UHFFFAOYSA-N 1 2 281.400 1.640 20 30 CDEDLO CCCC[N@@H+](CC#N)C1CCN(CC(=O)OCC)CC1 ZINC001254412326 947425696 /nfs/dbraw/zinc/42/56/96/947425696.db2.gz ZRVFGCUTWKZZPF-UHFFFAOYSA-N 1 2 281.400 1.640 20 30 CDEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(c3nccnc3Cl)CC2)C1 ZINC001254660271 947578848 /nfs/dbraw/zinc/57/88/48/947578848.db2.gz HCVIQGKOPSRKSZ-RYUDHWBXSA-N 1 2 291.786 1.944 20 30 CDEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(C(=O)c3cccnc3)CC2)C1 ZINC001254674455 947588109 /nfs/dbraw/zinc/58/81/09/947588109.db2.gz ZNEIAMXTUIZSPU-DZGCQCFKSA-N 1 2 284.363 1.532 20 30 CDEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1[C@H]1CCSC1 ZINC001255283840 947806165 /nfs/dbraw/zinc/80/61/65/947806165.db2.gz DCKOPOUIAUFHQJ-WCQYABFASA-N 1 2 294.424 1.422 20 30 CDEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1[C@H]1CCSC1 ZINC001255283840 947806171 /nfs/dbraw/zinc/80/61/71/947806171.db2.gz DCKOPOUIAUFHQJ-WCQYABFASA-N 1 2 294.424 1.422 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC001255526871 947964771 /nfs/dbraw/zinc/96/47/71/947964771.db2.gz ARDIWKJRLLKULE-ZJUUUORDSA-N 1 2 261.387 1.395 20 30 CDEDLO COC(=O)CC1CCC([NH2+]C2(C#N)CCOCC2)CC1 ZINC001256979660 948471648 /nfs/dbraw/zinc/47/16/48/948471648.db2.gz VATWENHNLBCJMJ-UHFFFAOYSA-N 1 2 280.368 1.771 20 30 CDEDLO C=C1C[C@@H]2CC([NH2+][C@H](CO)C(=O)OC)C[C@H](C1)C2 ZINC001257886366 948653293 /nfs/dbraw/zinc/65/32/93/948653293.db2.gz BCITWZZSPVPJIR-ZGVCCVRISA-N 1 2 253.342 1.245 20 30 CDEDLO Cn1c(=O)cccc1C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001248806003 949172552 /nfs/dbraw/zinc/17/25/52/949172552.db2.gz POVPHCZZZFNRFE-LBPRGKRZSA-N 1 2 276.361 1.159 20 30 CDEDLO Cn1c(=O)cccc1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001248806003 949172562 /nfs/dbraw/zinc/17/25/62/949172562.db2.gz POVPHCZZZFNRFE-LBPRGKRZSA-N 1 2 276.361 1.159 20 30 CDEDLO CCCCCCCNC(=S)NC[C@@H]1C[N@H+](C)CCO1 ZINC001249645493 949725981 /nfs/dbraw/zinc/72/59/81/949725981.db2.gz GWPSLBYAJLZRGO-CYBMUJFWSA-N 1 2 287.473 1.752 20 30 CDEDLO CCCCCCCNC(=S)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001249645493 949725998 /nfs/dbraw/zinc/72/59/98/949725998.db2.gz GWPSLBYAJLZRGO-CYBMUJFWSA-N 1 2 287.473 1.752 20 30 CDEDLO CCCCCCCC[C@H](O)C[N@@H+]1CCNC(=O)C1 ZINC001252121928 951153516 /nfs/dbraw/zinc/15/35/16/951153516.db2.gz NIIWITJTPKWEQO-ZDUSSCGKSA-N 1 2 256.390 1.530 20 30 CDEDLO CCCCCCCC[C@H](O)C[N@H+]1CCNC(=O)C1 ZINC001252121928 951153522 /nfs/dbraw/zinc/15/35/22/951153522.db2.gz NIIWITJTPKWEQO-ZDUSSCGKSA-N 1 2 256.390 1.530 20 30 CDEDLO C=CCOC[C@@H](O)C[NH2+][C@H](CC(C)C)C(=O)OCC ZINC001252482084 951344022 /nfs/dbraw/zinc/34/40/22/951344022.db2.gz ISOMNUUZLZWXLA-QWHCGFSZSA-N 1 2 273.373 1.117 20 30 CDEDLO C=C[C@@](C)(O)CNc1ccc(N2CCC(O)CC2)[nH+]c1 ZINC001252543572 951430493 /nfs/dbraw/zinc/43/04/93/951430493.db2.gz RSOULEPUHBJQRB-OAHLLOKOSA-N 1 2 277.368 1.392 20 30 CDEDLO C=C[C@@](C)(O)C[N@@H+]1CCN(c2ccc(Cl)cc2)C(=O)C1 ZINC001252559227 951455530 /nfs/dbraw/zinc/45/55/30/951455530.db2.gz UCQYRWPDWLQZMW-OAHLLOKOSA-N 1 2 294.782 1.926 20 30 CDEDLO C=C[C@@](C)(O)C[N@H+]1CCN(c2ccc(Cl)cc2)C(=O)C1 ZINC001252559227 951455535 /nfs/dbraw/zinc/45/55/35/951455535.db2.gz UCQYRWPDWLQZMW-OAHLLOKOSA-N 1 2 294.782 1.926 20 30 CDEDLO C=C[C@@](C)(O)C[NH2+][C@H](CCSC)C(=O)OCC ZINC001252575499 951465727 /nfs/dbraw/zinc/46/57/27/951465727.db2.gz CNLTVBHASPATEU-ZYHUDNBSSA-N 1 2 261.387 1.198 20 30 CDEDLO C=C[C@@H](O)C[N@@H+]1CCc2nc(C(=O)OCC)sc2C1 ZINC001253586889 951976155 /nfs/dbraw/zinc/97/61/55/951976155.db2.gz UGULVICHEYFCIW-SECBINFHSA-N 1 2 282.365 1.225 20 30 CDEDLO C=C[C@@H](O)C[N@H+]1CCc2nc(C(=O)OCC)sc2C1 ZINC001253586889 951976171 /nfs/dbraw/zinc/97/61/71/951976171.db2.gz UGULVICHEYFCIW-SECBINFHSA-N 1 2 282.365 1.225 20 30 CDEDLO C=C[C@H](O)CN1CC[C@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001253587834 951979145 /nfs/dbraw/zinc/97/91/45/951979145.db2.gz PCRLLSFXBHKMTO-STQMWFEESA-N 1 2 274.355 1.729 20 30 CDEDLO COc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC001253954898 952162750 /nfs/dbraw/zinc/16/27/50/952162750.db2.gz HBHQOTORJRRIBQ-KGLIPLIRSA-N 1 2 290.363 1.670 20 30 CDEDLO COc1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC001253954898 952162753 /nfs/dbraw/zinc/16/27/53/952162753.db2.gz HBHQOTORJRRIBQ-KGLIPLIRSA-N 1 2 290.363 1.670 20 30 CDEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCc2cscn2)CC1 ZINC001363218610 971989607 /nfs/dbraw/zinc/98/96/07/971989607.db2.gz WCBRWOWUGRQRLQ-CQSZACIVSA-N 1 2 278.425 1.851 20 30 CDEDLO N#Cc1ccc(NC(=O)NCc2ccc(N)[nH+]c2)nc1 ZINC001311057039 956726408 /nfs/dbraw/zinc/72/64/08/956726408.db2.gz REFUOVGGRWVARU-UHFFFAOYSA-N 1 2 268.280 1.252 20 30 CDEDLO CO[C@@H](C[NH+]1CC(NC(=O)[C@H](C)C#N)C1)c1ccccc1 ZINC001494360257 972216424 /nfs/dbraw/zinc/21/64/24/972216424.db2.gz ZASYFGDPGLHGIV-DOMZBBRYSA-N 1 2 287.363 1.334 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnc2cccnn21 ZINC001366574295 956985316 /nfs/dbraw/zinc/98/53/16/956985316.db2.gz JWZRFUNNNSDGHU-UHFFFAOYSA-N 1 2 293.758 1.143 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnc2cccnn21 ZINC001366574295 956985320 /nfs/dbraw/zinc/98/53/20/956985320.db2.gz JWZRFUNNNSDGHU-UHFFFAOYSA-N 1 2 293.758 1.143 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCc1c(C)n[nH]c1C ZINC001366588534 957000620 /nfs/dbraw/zinc/00/06/20/957000620.db2.gz AHFTYZYAUNXNMK-UHFFFAOYSA-N 1 2 298.818 1.760 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCc1c(C)n[nH]c1C ZINC001366588534 957000636 /nfs/dbraw/zinc/00/06/36/957000636.db2.gz AHFTYZYAUNXNMK-UHFFFAOYSA-N 1 2 298.818 1.760 20 30 CDEDLO CCOC(=O)c1cc(C[NH2+]CC(C)(C)C#N)[nH]n1 ZINC001332437302 957565187 /nfs/dbraw/zinc/56/51/87/957565187.db2.gz VRRKAPZXYYOVML-UHFFFAOYSA-N 1 2 250.302 1.226 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cccn1 ZINC001370858874 960220107 /nfs/dbraw/zinc/22/01/07/960220107.db2.gz YEACLNUGWDCXNX-ZDUSSCGKSA-N 1 2 296.802 1.606 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)Cn1cccn1 ZINC001370858874 960220118 /nfs/dbraw/zinc/22/01/18/960220118.db2.gz YEACLNUGWDCXNX-ZDUSSCGKSA-N 1 2 296.802 1.606 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1nc(C)cs1 ZINC001418714257 960940189 /nfs/dbraw/zinc/94/01/89/960940189.db2.gz YIWRXQQRWDFGNP-LLVKDONJSA-N 1 2 294.424 1.939 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1nc(C)cs1 ZINC001418714257 960940202 /nfs/dbraw/zinc/94/02/02/960940202.db2.gz YIWRXQQRWDFGNP-LLVKDONJSA-N 1 2 294.424 1.939 20 30 CDEDLO N#CCCn1ccc(NC(=O)NCc2ccc[nH+]c2N)n1 ZINC001434708361 961798670 /nfs/dbraw/zinc/79/86/70/961798670.db2.gz RJAJRYVXIAPGDK-UHFFFAOYSA-N 1 2 285.311 1.096 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNc1cc(C#N)cc(Cl)n1 ZINC001339574145 962430058 /nfs/dbraw/zinc/43/00/58/962430058.db2.gz HIQKHJGWDJQBDI-SNVBAGLBSA-N 1 2 280.759 1.739 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNc1cc(C#N)cc(Cl)n1 ZINC001339574145 962430072 /nfs/dbraw/zinc/43/00/72/962430072.db2.gz HIQKHJGWDJQBDI-SNVBAGLBSA-N 1 2 280.759 1.739 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ncoc1C1CC1 ZINC001420325936 962744168 /nfs/dbraw/zinc/74/41/68/962744168.db2.gz VKTVHJROJZMRFU-UHFFFAOYSA-N 1 2 283.759 1.966 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ncoc1C1CC1 ZINC001420325936 962744180 /nfs/dbraw/zinc/74/41/80/962744180.db2.gz VKTVHJROJZMRFU-UHFFFAOYSA-N 1 2 283.759 1.966 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H](C)NC(=O)CC ZINC001420387179 962837663 /nfs/dbraw/zinc/83/76/63/962837663.db2.gz LMXIDNNXDDTWQX-LLVKDONJSA-N 1 2 289.807 1.092 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H](C)NC(=O)CC ZINC001420387179 962837672 /nfs/dbraw/zinc/83/76/72/962837672.db2.gz LMXIDNNXDDTWQX-LLVKDONJSA-N 1 2 289.807 1.092 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1coc(C)n1 ZINC001437590146 963046486 /nfs/dbraw/zinc/04/64/86/963046486.db2.gz JZTGUWBXDFOTPS-UHFFFAOYSA-N 1 2 271.748 1.787 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1coc(C)n1 ZINC001437590146 963046499 /nfs/dbraw/zinc/04/64/99/963046499.db2.gz JZTGUWBXDFOTPS-UHFFFAOYSA-N 1 2 271.748 1.787 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1ncc(CC)o1 ZINC001437745574 963157728 /nfs/dbraw/zinc/15/77/28/963157728.db2.gz NFYIBUMJQYFLND-GFCCVEGCSA-N 1 2 292.383 1.725 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1ncc(CC)o1 ZINC001437745574 963157734 /nfs/dbraw/zinc/15/77/34/963157734.db2.gz NFYIBUMJQYFLND-GFCCVEGCSA-N 1 2 292.383 1.725 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnn(CC)c1 ZINC001440918921 964261717 /nfs/dbraw/zinc/26/17/17/964261717.db2.gz UFPSRABOWREHOT-NSHDSACASA-N 1 2 284.791 1.706 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnn(CC)c1 ZINC001440918921 964261729 /nfs/dbraw/zinc/26/17/29/964261729.db2.gz UFPSRABOWREHOT-NSHDSACASA-N 1 2 284.791 1.706 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1snnc1C(C)C ZINC001344515680 964339125 /nfs/dbraw/zinc/33/91/25/964339125.db2.gz VVDNHGMWJMBKMM-NSHDSACASA-N 1 2 293.392 1.916 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1snnc1C(C)C ZINC001344515680 964339134 /nfs/dbraw/zinc/33/91/34/964339134.db2.gz VVDNHGMWJMBKMM-NSHDSACASA-N 1 2 293.392 1.916 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)OCc1c[nH+]cn1CC ZINC001345609712 964756993 /nfs/dbraw/zinc/75/69/93/964756993.db2.gz GOGFKDOVMVGHCO-NEPJUHHUSA-N 1 2 250.298 1.537 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@]1(C)CCOC1)C1CC1 ZINC001443044110 965331596 /nfs/dbraw/zinc/33/15/96/965331596.db2.gz VHJHESXVKUZNQG-AWEZNQCLSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@]1(C)CCOC1)C1CC1 ZINC001443044110 965331608 /nfs/dbraw/zinc/33/16/08/965331608.db2.gz VHJHESXVKUZNQG-AWEZNQCLSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](O)C(C)C)C1 ZINC001443810381 965614700 /nfs/dbraw/zinc/61/47/00/965614700.db2.gz QHSINAUFVIHGIU-VXGBXAGGSA-N 1 2 274.792 1.289 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](O)C(C)C)C1 ZINC001443810381 965614704 /nfs/dbraw/zinc/61/47/04/965614704.db2.gz QHSINAUFVIHGIU-VXGBXAGGSA-N 1 2 274.792 1.289 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)cc3)n2C)CC1 ZINC001350492657 966681651 /nfs/dbraw/zinc/68/16/51/966681651.db2.gz QXRPJBSELYBWOQ-UHFFFAOYSA-N 1 2 295.390 1.546 20 30 CDEDLO C=C(C)CN(C)c1nnc([C@@H]2CCCC[N@@H+]2C)n1C ZINC001351117942 966860734 /nfs/dbraw/zinc/86/07/34/966860734.db2.gz JNMQGJUJAOJKMG-LBPRGKRZSA-N 1 2 263.389 1.984 20 30 CDEDLO C=C(C)CN(C)c1nnc([C@@H]2CCCC[N@H+]2C)n1C ZINC001351117942 966860745 /nfs/dbraw/zinc/86/07/45/966860745.db2.gz JNMQGJUJAOJKMG-LBPRGKRZSA-N 1 2 263.389 1.984 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001100276091 967867160 /nfs/dbraw/zinc/86/71/60/967867160.db2.gz RTTMFGOPTCIXHH-CYBMUJFWSA-N 1 2 276.384 1.940 20 30 CDEDLO C#Cc1ccc(N2CCc3c([nH+]cn3CC)C2)nc1 ZINC001354278697 968595392 /nfs/dbraw/zinc/59/53/92/968595392.db2.gz UJVONSYNJYWPFE-UHFFFAOYSA-N 1 2 252.321 1.842 20 30 CDEDLO C[C@@H](CC(=O)OCC#Cc1ccccn1)n1cc[nH+]c1 ZINC001518977244 970050491 /nfs/dbraw/zinc/05/04/91/970050491.db2.gz DHDSVYZSLJOZGT-ZDUSSCGKSA-N 1 2 269.304 1.824 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc(C)nn1C)C1CC1 ZINC001372772278 973131799 /nfs/dbraw/zinc/13/17/99/973131799.db2.gz CBWNQDFQJQXWBH-UHFFFAOYSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc(C)nn1C)C1CC1 ZINC001372772278 973131804 /nfs/dbraw/zinc/13/18/04/973131804.db2.gz CBWNQDFQJQXWBH-UHFFFAOYSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C1(CCOC)CCC1 ZINC001418515286 973923167 /nfs/dbraw/zinc/92/31/67/973923167.db2.gz BYRCVWFHJLUOCZ-UHFFFAOYSA-N 1 2 288.819 1.994 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C1(CCOC)CCC1 ZINC001418515286 973923177 /nfs/dbraw/zinc/92/31/77/973923177.db2.gz BYRCVWFHJLUOCZ-UHFFFAOYSA-N 1 2 288.819 1.994 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CCc1ccnn1C ZINC001418544408 973955016 /nfs/dbraw/zinc/95/50/16/973955016.db2.gz HQLIJLYWVWDLJG-UHFFFAOYSA-N 1 2 298.818 1.543 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CCc1ccnn1C ZINC001418544408 973955021 /nfs/dbraw/zinc/95/50/21/973955021.db2.gz HQLIJLYWVWDLJG-UHFFFAOYSA-N 1 2 298.818 1.543 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C1(CCOC)CC1 ZINC001378060945 975226411 /nfs/dbraw/zinc/22/64/11/975226411.db2.gz LYSSHEDQBJOXJM-GFCCVEGCSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C1(CCOC)CC1 ZINC001378060945 975226415 /nfs/dbraw/zinc/22/64/15/975226415.db2.gz LYSSHEDQBJOXJM-GFCCVEGCSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnc(C)nc1C ZINC001378167282 975269381 /nfs/dbraw/zinc/26/93/81/975269381.db2.gz JQHXGJGODQPMTK-JTQLQIEISA-N 1 2 296.802 1.896 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnc(C)nc1C ZINC001378167282 975269385 /nfs/dbraw/zinc/26/93/85/975269385.db2.gz JQHXGJGODQPMTK-JTQLQIEISA-N 1 2 296.802 1.896 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C1=COCCO1 ZINC001406581360 976269682 /nfs/dbraw/zinc/26/96/82/976269682.db2.gz HMPZWHNALBRKFA-SNVBAGLBSA-N 1 2 274.748 1.064 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C1=COCCO1 ZINC001406581360 976269692 /nfs/dbraw/zinc/26/96/92/976269692.db2.gz HMPZWHNALBRKFA-SNVBAGLBSA-N 1 2 274.748 1.064 20 30 CDEDLO Cc1nc(C[N@@H+](C)CCNC(=O)[C@@H](C)C#N)sc1C ZINC001399434844 976485787 /nfs/dbraw/zinc/48/57/87/976485787.db2.gz ISLVAIIMTDTEKK-VIFPVBQESA-N 1 2 280.397 1.468 20 30 CDEDLO Cc1nc(C[N@H+](C)CCNC(=O)[C@@H](C)C#N)sc1C ZINC001399434844 976485791 /nfs/dbraw/zinc/48/57/91/976485791.db2.gz ISLVAIIMTDTEKK-VIFPVBQESA-N 1 2 280.397 1.468 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnsn1 ZINC001403114733 976729077 /nfs/dbraw/zinc/72/90/77/976729077.db2.gz XKADNMFYRGUECA-QMMMGPOBSA-N 1 2 274.777 1.341 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnsn1 ZINC001403114733 976729081 /nfs/dbraw/zinc/72/90/81/976729081.db2.gz XKADNMFYRGUECA-QMMMGPOBSA-N 1 2 274.777 1.341 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)Cn1cccn1)C1CC1 ZINC001399987011 976790985 /nfs/dbraw/zinc/79/09/85/976790985.db2.gz IWBBBFVSPLDHEQ-UHFFFAOYSA-N 1 2 282.775 1.216 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cn1cccn1)C1CC1 ZINC001399987011 976790996 /nfs/dbraw/zinc/79/09/96/976790996.db2.gz IWBBBFVSPLDHEQ-UHFFFAOYSA-N 1 2 282.775 1.216 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCc1ncccn1 ZINC001392314038 977405426 /nfs/dbraw/zinc/40/54/26/977405426.db2.gz SCHPGQOUKORAHV-UHFFFAOYSA-N 1 2 296.802 1.552 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCc1ncccn1 ZINC001392314038 977405430 /nfs/dbraw/zinc/40/54/30/977405430.db2.gz SCHPGQOUKORAHV-UHFFFAOYSA-N 1 2 296.802 1.552 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H](O)C(C)C)C1 ZINC001394236233 978112802 /nfs/dbraw/zinc/11/28/02/978112802.db2.gz VWHJROPNYMXUBR-CMPLNLGQSA-N 1 2 274.792 1.192 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+]Cc1cnsn1 ZINC001132301575 1163228181 /nfs/dbraw/zinc/22/81/81/1163228181.db2.gz AGTXMVDKBDWGSU-UHFFFAOYSA-N 1 2 268.386 1.346 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)Cc1ccc(OCC#N)cc1 ZINC000810754572 1163292859 /nfs/dbraw/zinc/29/28/59/1163292859.db2.gz IKRPHOKAEKKZAN-UHFFFAOYSA-N 1 2 284.319 1.181 20 30 CDEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001132569171 1163375994 /nfs/dbraw/zinc/37/59/94/1163375994.db2.gz MCTFJRUNMMZEBG-YPMHNXCESA-N 1 2 276.384 1.449 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[NH2+]Cc1ncccn1 ZINC001132667364 1163431288 /nfs/dbraw/zinc/43/12/88/1163431288.db2.gz KBHNZGFIYUUKIT-GFCCVEGCSA-N 1 2 262.357 1.285 20 30 CDEDLO Cc1ncsc1C[NH+]1CCN(CCC#N)CC1 ZINC000589257525 342501985 /nfs/dbraw/zinc/50/19/85/342501985.db2.gz IBUZYADEEFROSF-UHFFFAOYSA-N 1 2 250.371 1.483 20 30 CDEDLO N#Cc1cccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000589388202 342504875 /nfs/dbraw/zinc/50/48/75/342504875.db2.gz ZGGUJMQCIZDUCC-CYBMUJFWSA-N 1 2 281.319 1.627 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000590203741 342524675 /nfs/dbraw/zinc/52/46/75/342524675.db2.gz UCKXTDAHCPFMFK-GXTWGEPZSA-N 1 2 255.358 1.445 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000590203741 342524676 /nfs/dbraw/zinc/52/46/76/342524676.db2.gz UCKXTDAHCPFMFK-GXTWGEPZSA-N 1 2 255.358 1.445 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000590494945 342567762 /nfs/dbraw/zinc/56/77/62/342567762.db2.gz VUXWSXCYYVCTJS-LLVKDONJSA-N 1 2 260.341 1.454 20 30 CDEDLO C=CCNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000045574180 342033162 /nfs/dbraw/zinc/03/31/62/342033162.db2.gz ZSXLTAKEVBFCHM-UHFFFAOYSA-N 1 2 265.382 1.761 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000608784744 342045101 /nfs/dbraw/zinc/04/51/01/342045101.db2.gz PYRYHYHZSNUZMK-ZFWWWQNUSA-N 1 2 287.363 1.584 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000608784744 342045102 /nfs/dbraw/zinc/04/51/02/342045102.db2.gz PYRYHYHZSNUZMK-ZFWWWQNUSA-N 1 2 287.363 1.584 20 30 CDEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CCc2c[nH]nn2)CC1 ZINC000590603438 342577915 /nfs/dbraw/zinc/57/79/15/342577915.db2.gz MOXFJIZTHYUGAG-INIZCTEOSA-N 1 2 296.378 1.230 20 30 CDEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000590603438 342577916 /nfs/dbraw/zinc/57/79/16/342577916.db2.gz MOXFJIZTHYUGAG-INIZCTEOSA-N 1 2 296.378 1.230 20 30 CDEDLO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(C#N)CC1 ZINC000057906096 361788002 /nfs/dbraw/zinc/78/80/02/361788002.db2.gz FKVWHXJXNIEGCM-JTQLQIEISA-N 1 2 280.372 1.235 20 30 CDEDLO CC[N@@H+]1CCN(S(=O)(=O)CC(C)(C)CC#N)C[C@@H]1C ZINC000590750853 342587179 /nfs/dbraw/zinc/58/71/79/342587179.db2.gz JTINQZVUVRHRDN-LBPRGKRZSA-N 1 2 287.429 1.282 20 30 CDEDLO CC[N@H+]1CCN(S(=O)(=O)CC(C)(C)CC#N)C[C@@H]1C ZINC000590750853 342587180 /nfs/dbraw/zinc/58/71/80/342587180.db2.gz JTINQZVUVRHRDN-LBPRGKRZSA-N 1 2 287.429 1.282 20 30 CDEDLO N#CCCCCNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609148189 342092517 /nfs/dbraw/zinc/09/25/17/342092517.db2.gz KUEJZCSTVJSHAV-CYBMUJFWSA-N 1 2 275.356 1.923 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNc1ncncc1C#N)CCC2 ZINC000591924254 342658737 /nfs/dbraw/zinc/65/87/37/342658737.db2.gz FGFJCYLFAUFVLU-NSHDSACASA-N 1 2 268.324 1.265 20 30 CDEDLO CC(C)(C)c1ncc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cn1 ZINC000592523103 342702740 /nfs/dbraw/zinc/70/27/40/342702740.db2.gz VSXINCXSLOIJET-HNNXBMFYSA-N 1 2 274.368 1.625 20 30 CDEDLO CC(C)(C)c1ncc(C[N@H+]2CC[C@@](O)(CC#N)C2)cn1 ZINC000592523103 342702741 /nfs/dbraw/zinc/70/27/41/342702741.db2.gz VSXINCXSLOIJET-HNNXBMFYSA-N 1 2 274.368 1.625 20 30 CDEDLO COC(=O)[C@H]([NH2+]CCCC#N)[C@@H]1CCC[C@H](OC)C1 ZINC000593102970 342768025 /nfs/dbraw/zinc/76/80/25/342768025.db2.gz GHIAPJXBVFJEMA-FRRDWIJNSA-N 1 2 268.357 1.627 20 30 CDEDLO C=Cc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000593153307 342773835 /nfs/dbraw/zinc/77/38/35/342773835.db2.gz VGDZQSONKDHDMV-HNNXBMFYSA-N 1 2 257.337 1.903 20 30 CDEDLO Cc1cc(F)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1F ZINC000593154431 342774202 /nfs/dbraw/zinc/77/42/02/342774202.db2.gz ONOKLKDJQLQVEH-AWEZNQCLSA-N 1 2 281.306 1.847 20 30 CDEDLO C[N@H+](CC(=O)N1CCCC1)Cc1cccc(C#N)c1F ZINC000223515888 342208339 /nfs/dbraw/zinc/20/83/39/342208339.db2.gz YDPRPTUAFOGKQN-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO C[N@@H+](CC(=O)N1CCCC1)Cc1cccc(C#N)c1F ZINC000223515888 342208340 /nfs/dbraw/zinc/20/83/40/342208340.db2.gz YDPRPTUAFOGKQN-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO CNC(=O)N1CC[NH+](Cc2ccc(OC)c(C#N)c2)CC1 ZINC000269680620 190533916 /nfs/dbraw/zinc/53/39/16/190533916.db2.gz DNPZNYIJFVNBCD-UHFFFAOYSA-N 1 2 288.351 1.024 20 30 CDEDLO CC[C@H](C)NC(=O)CCNc1cc(C)[nH+]cc1C#N ZINC000399453539 539067839 /nfs/dbraw/zinc/06/78/39/539067839.db2.gz PFJFFZKYEPSOGF-JTQLQIEISA-N 1 2 260.341 1.400 20 30 CDEDLO N#CC[C@@H]1CCCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000594687606 342941513 /nfs/dbraw/zinc/94/15/13/342941513.db2.gz VEWOVIULMGFNME-ZDUSSCGKSA-N 1 2 275.356 1.608 20 30 CDEDLO COC(=O)C[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)CCO1 ZINC000595333491 343037894 /nfs/dbraw/zinc/03/78/94/343037894.db2.gz FWXGGMZUYRBQME-OAHLLOKOSA-N 1 2 288.347 1.365 20 30 CDEDLO COC(=O)C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)CCO1 ZINC000595333491 343037895 /nfs/dbraw/zinc/03/78/95/343037895.db2.gz FWXGGMZUYRBQME-OAHLLOKOSA-N 1 2 288.347 1.365 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](CC)[C@H](C)C(=O)OC(C)(C)C)C1=O ZINC000595607584 343107524 /nfs/dbraw/zinc/10/75/24/343107524.db2.gz WDKIYRGQLXNVHI-OLZOCXBDSA-N 1 2 296.411 1.825 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](CC)[C@H](C)C(=O)OC(C)(C)C)C1=O ZINC000595607584 343107526 /nfs/dbraw/zinc/10/75/26/343107526.db2.gz WDKIYRGQLXNVHI-OLZOCXBDSA-N 1 2 296.411 1.825 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000595613769 343109375 /nfs/dbraw/zinc/10/93/75/343109375.db2.gz HFWWKDXPFJADCQ-MNOVXSKESA-N 1 2 289.301 1.775 20 30 CDEDLO N#CC[C@H]1CCC[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000595613769 343109377 /nfs/dbraw/zinc/10/93/77/343109377.db2.gz HFWWKDXPFJADCQ-MNOVXSKESA-N 1 2 289.301 1.775 20 30 CDEDLO C=C(Cl)CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000076978261 342326205 /nfs/dbraw/zinc/32/62/05/342326205.db2.gz HZMYOHNKYPASIW-WDEREUQCSA-N 1 2 275.780 1.147 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000595826250 343167241 /nfs/dbraw/zinc/16/72/41/343167241.db2.gz KVYODFBNEPHVPY-HUUCEWRRSA-N 1 2 274.364 1.925 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000595826250 343167244 /nfs/dbraw/zinc/16/72/44/343167244.db2.gz KVYODFBNEPHVPY-HUUCEWRRSA-N 1 2 274.364 1.925 20 30 CDEDLO COCC[N@@H+]1CC[C@@H](Nc2nc(C#N)c(Cl)s2)C1 ZINC000596125056 343236831 /nfs/dbraw/zinc/23/68/31/343236831.db2.gz YJIXIKFEJHTIMM-MRVPVSSYSA-N 1 2 286.788 1.223 20 30 CDEDLO COCC[N@H+]1CC[C@@H](Nc2nc(C#N)c(Cl)s2)C1 ZINC000596125056 343236832 /nfs/dbraw/zinc/23/68/32/343236832.db2.gz YJIXIKFEJHTIMM-MRVPVSSYSA-N 1 2 286.788 1.223 20 30 CDEDLO CCc1nc(C#N)cc(NCc2cn3cccc(C)c3[nH+]2)n1 ZINC000596178137 343248811 /nfs/dbraw/zinc/24/88/11/343248811.db2.gz GKCJZAHDNSFCBU-UHFFFAOYSA-N 1 2 292.346 1.901 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCCCCC#N ZINC000596265202 343279274 /nfs/dbraw/zinc/27/92/74/343279274.db2.gz GUFDFQJISPZAFF-OLZOCXBDSA-N 1 2 282.388 1.089 20 30 CDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCCCC#N ZINC000596265202 343279275 /nfs/dbraw/zinc/27/92/75/343279275.db2.gz GUFDFQJISPZAFF-OLZOCXBDSA-N 1 2 282.388 1.089 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089968729 342392644 /nfs/dbraw/zinc/39/26/44/342392644.db2.gz ONWGIFZFKNGQFU-VIFPVBQESA-N 1 2 280.290 1.066 20 30 CDEDLO N#CC[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000596328942 343304379 /nfs/dbraw/zinc/30/43/79/343304379.db2.gz BDTRHBADJYTOJK-CYBMUJFWSA-N 1 2 287.367 1.443 20 30 CDEDLO N#CC[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000596328942 343304381 /nfs/dbraw/zinc/30/43/81/343304381.db2.gz BDTRHBADJYTOJK-CYBMUJFWSA-N 1 2 287.367 1.443 20 30 CDEDLO Cc1cc[nH+]cc1Cc1noc([C@@H](C)n2cnc(C#N)n2)n1 ZINC000596617673 343357389 /nfs/dbraw/zinc/35/73/89/343357389.db2.gz WDNNJRVKEMPMSJ-SNVBAGLBSA-N 1 2 295.306 1.436 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)NCC(C)(C)CC#N)[C@@H](C)CO1 ZINC000596624327 343359774 /nfs/dbraw/zinc/35/97/74/343359774.db2.gz QXYHNEJBFJQFRN-QWHCGFSZSA-N 1 2 296.415 1.335 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCC(C)(C)CC#N)[C@@H](C)CO1 ZINC000596624327 343359777 /nfs/dbraw/zinc/35/97/77/343359777.db2.gz QXYHNEJBFJQFRN-QWHCGFSZSA-N 1 2 296.415 1.335 20 30 CDEDLO COCC[N@H+](CCC#N)Cc1cccc(C(=O)OC)c1 ZINC000072690621 349812325 /nfs/dbraw/zinc/81/23/25/349812325.db2.gz NRPRIWNJFFBQPL-UHFFFAOYSA-N 1 2 276.336 1.835 20 30 CDEDLO COCC[N@@H+](CCC#N)Cc1cccc(C(=O)OC)c1 ZINC000072690621 349812330 /nfs/dbraw/zinc/81/23/30/349812330.db2.gz NRPRIWNJFFBQPL-UHFFFAOYSA-N 1 2 276.336 1.835 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)C2(C#N)CCCCC2)[C@@H](C)CO1 ZINC000597998689 343685255 /nfs/dbraw/zinc/68/52/55/343685255.db2.gz QCAMPECHPIOWEX-KBPBESRZSA-N 1 2 293.411 1.686 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)C2(C#N)CCCCC2)[C@@H](C)CO1 ZINC000597998689 343685258 /nfs/dbraw/zinc/68/52/58/343685258.db2.gz QCAMPECHPIOWEX-KBPBESRZSA-N 1 2 293.411 1.686 20 30 CDEDLO C=C[C@@H](Sc1[nH+]cnc2c1cnn2C)C(=O)OC ZINC000619689017 349851801 /nfs/dbraw/zinc/85/18/01/349851801.db2.gz UYNLLBQWIQEUGJ-MRVPVSSYSA-N 1 2 264.310 1.183 20 30 CDEDLO C[C@H](NC(=O)COc1ccccc1C#N)c1[nH+]ccn1C ZINC000598459245 343804838 /nfs/dbraw/zinc/80/48/38/343804838.db2.gz GEQIIVCCRDTSNI-NSHDSACASA-N 1 2 284.319 1.548 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000598589614 343836620 /nfs/dbraw/zinc/83/66/20/343836620.db2.gz UEYBPIQSJGGVJC-NWDGAFQWSA-N 1 2 295.408 1.817 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000598589614 343836623 /nfs/dbraw/zinc/83/66/23/343836623.db2.gz UEYBPIQSJGGVJC-NWDGAFQWSA-N 1 2 295.408 1.817 20 30 CDEDLO CSc1cc(C)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)o1 ZINC000598836336 343914361 /nfs/dbraw/zinc/91/43/61/343914361.db2.gz GTNPLRLRNDMOIH-ZDUSSCGKSA-N 1 2 281.381 1.884 20 30 CDEDLO N#Cc1ccc(CCC(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000598946229 343925914 /nfs/dbraw/zinc/92/59/14/343925914.db2.gz FZQRIKODNRSCLC-OAHLLOKOSA-N 1 2 294.358 1.819 20 30 CDEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COc1ccccc1C#N ZINC000599430053 344056715 /nfs/dbraw/zinc/05/67/15/344056715.db2.gz VJVNDWRKVOHXBZ-HNNXBMFYSA-N 1 2 285.347 1.700 20 30 CDEDLO C=CC[N@H+](CCC#N)C[C@H](O)COc1ccccc1C#N ZINC000599430053 344056717 /nfs/dbraw/zinc/05/67/17/344056717.db2.gz VJVNDWRKVOHXBZ-HNNXBMFYSA-N 1 2 285.347 1.700 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000188309007 344154258 /nfs/dbraw/zinc/15/42/58/344154258.db2.gz YLBLNCTUZUMDSC-TZMCWYRMSA-N 1 2 254.374 1.426 20 30 CDEDLO Cc1cn2ccc(C(=O)N3CCSC[C@@H]3C#N)cc2[nH+]1 ZINC000602133168 344357743 /nfs/dbraw/zinc/35/77/43/344357743.db2.gz OWFXXTKDWQUJTL-LBPRGKRZSA-N 1 2 286.360 1.724 20 30 CDEDLO C=CC[N@@H+](CCC#N)C[C@H](OC)C1CCOCC1 ZINC000602674441 344524437 /nfs/dbraw/zinc/52/44/37/344524437.db2.gz XQZLKALCHHACCY-AWEZNQCLSA-N 1 2 252.358 1.830 20 30 CDEDLO C=CC[N@H+](CCC#N)C[C@H](OC)C1CCOCC1 ZINC000602674441 344524439 /nfs/dbraw/zinc/52/44/39/344524439.db2.gz XQZLKALCHHACCY-AWEZNQCLSA-N 1 2 252.358 1.830 20 30 CDEDLO CCOC[C@H](C(=O)OC)[N@H+](C)CC1(CC#N)CC1 ZINC000602797546 344587771 /nfs/dbraw/zinc/58/77/71/344587771.db2.gz MQLWLSWRSCGGQY-LLVKDONJSA-N 1 2 254.330 1.190 20 30 CDEDLO CCOC[C@H](C(=O)OC)[N@@H+](C)CC1(CC#N)CC1 ZINC000602797546 344587773 /nfs/dbraw/zinc/58/77/73/344587773.db2.gz MQLWLSWRSCGGQY-LLVKDONJSA-N 1 2 254.330 1.190 20 30 CDEDLO N#CCC1(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)CC1 ZINC000602828236 344612637 /nfs/dbraw/zinc/61/26/37/344612637.db2.gz DKSNHVMESMHMFP-SNVBAGLBSA-N 1 2 261.329 1.384 20 30 CDEDLO N#CCC1(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)CC1 ZINC000602828236 344612639 /nfs/dbraw/zinc/61/26/39/344612639.db2.gz DKSNHVMESMHMFP-SNVBAGLBSA-N 1 2 261.329 1.384 20 30 CDEDLO CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@@H](C)CC#N ZINC000602860426 344616269 /nfs/dbraw/zinc/61/62/69/344616269.db2.gz BOBICYRYGHQLGQ-VIFPVBQESA-N 1 2 295.364 1.755 20 30 CDEDLO COc1ccc(NC(=O)C[NH2+][C@H](C)CC#N)c(OC)c1 ZINC000602861303 344616599 /nfs/dbraw/zinc/61/65/99/344616599.db2.gz GVJXQSSGXMCORW-SNVBAGLBSA-N 1 2 277.324 1.534 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)NCCc1cccs1 ZINC000602860656 344616728 /nfs/dbraw/zinc/61/67/28/344616728.db2.gz DBFCPTKIQGFMSJ-GHMZBOCLSA-N 1 2 265.382 1.687 20 30 CDEDLO Cc1cccc(NC(=O)NC(=O)C[NH2+][C@@H](C)CC#N)c1C ZINC000602869929 344640453 /nfs/dbraw/zinc/64/04/53/344640453.db2.gz QQJQAQHHOLNBAN-NSHDSACASA-N 1 2 288.351 1.843 20 30 CDEDLO C[C@@H](CC#N)[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000602870100 344640518 /nfs/dbraw/zinc/64/05/18/344640518.db2.gz KQDLYLYXZRCWCO-JTQLQIEISA-N 1 2 252.339 1.482 20 30 CDEDLO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCS1(=O)=O ZINC000330013994 530056921 /nfs/dbraw/zinc/05/69/21/530056921.db2.gz MPKXJHMCQIFJOC-GHMZBOCLSA-N 1 2 274.386 1.004 20 30 CDEDLO C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCS1(=O)=O ZINC000330013994 530056922 /nfs/dbraw/zinc/05/69/22/530056922.db2.gz MPKXJHMCQIFJOC-GHMZBOCLSA-N 1 2 274.386 1.004 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000008472521 345641164 /nfs/dbraw/zinc/64/11/64/345641164.db2.gz QFYZZWZHXMSQMJ-ZDUSSCGKSA-N 1 2 289.379 1.556 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000008472521 345641170 /nfs/dbraw/zinc/64/11/70/345641170.db2.gz QFYZZWZHXMSQMJ-ZDUSSCGKSA-N 1 2 289.379 1.556 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(F)c(F)c1 ZINC000584814998 346440159 /nfs/dbraw/zinc/44/01/59/346440159.db2.gz RMQDAKIXLRXIAS-ZDUSSCGKSA-N 1 2 267.279 1.538 20 30 CDEDLO C=C[C@H](O)C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000612529526 347200825 /nfs/dbraw/zinc/20/08/25/347200825.db2.gz GFSLQZGVGKUYQT-AWEZNQCLSA-N 1 2 278.327 1.017 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635990736 362847092 /nfs/dbraw/zinc/84/70/92/362847092.db2.gz BFYVYPKWSWVPCX-OLZOCXBDSA-N 1 2 271.320 1.716 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc2c(c1)CCCO2 ZINC000414127882 362920761 /nfs/dbraw/zinc/92/07/61/362920761.db2.gz QQNCUYHDRZBSNL-CQSZACIVSA-N 1 2 290.363 1.597 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc2c(c1)CCCO2 ZINC000414127882 362920767 /nfs/dbraw/zinc/92/07/67/362920767.db2.gz QQNCUYHDRZBSNL-CQSZACIVSA-N 1 2 290.363 1.597 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCc2cc(C)no2)cc1OC ZINC000070847653 349116433 /nfs/dbraw/zinc/11/64/33/349116433.db2.gz YKGOBOIWPHJICA-UHFFFAOYSA-N 1 2 291.307 1.837 20 30 CDEDLO COC(=O)C1(O)CC[NH+](Cc2ccccc2C#N)CC1 ZINC000271215935 191006936 /nfs/dbraw/zinc/00/69/36/191006936.db2.gz AAUWUHXPSAROGC-UHFFFAOYSA-N 1 2 274.320 1.058 20 30 CDEDLO CC(C)(C)n1ncnc1C[NH2+]Cc1cccc(C#N)n1 ZINC000602653900 350138139 /nfs/dbraw/zinc/13/81/39/350138139.db2.gz QZNLEDIFJGFBEK-UHFFFAOYSA-N 1 2 270.340 1.590 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc(F)cc1C#N ZINC000107037861 186156348 /nfs/dbraw/zinc/15/63/48/186156348.db2.gz KBYPZTSPPIBRRB-NSHDSACASA-N 1 2 263.316 1.830 20 30 CDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ncc[nH]3)C2)nc1 ZINC000292078533 198155401 /nfs/dbraw/zinc/15/54/01/198155401.db2.gz DIUFBSPTVDGSBM-GFCCVEGCSA-N 1 2 269.308 1.330 20 30 CDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ncc[nH]3)C2)nc1 ZINC000292078533 198155403 /nfs/dbraw/zinc/15/54/03/198155403.db2.gz DIUFBSPTVDGSBM-GFCCVEGCSA-N 1 2 269.308 1.330 20 30 CDEDLO N#Cc1ccc(O[C@@H]2CCN(Cc3[nH]cc[nH+]3)C2)nc1 ZINC000292078533 198155405 /nfs/dbraw/zinc/15/54/05/198155405.db2.gz DIUFBSPTVDGSBM-GFCCVEGCSA-N 1 2 269.308 1.330 20 30 CDEDLO C=CC1CC[NH+](Cc2ncnn2CC(F)F)CC1 ZINC000487905624 366085713 /nfs/dbraw/zinc/08/57/13/366085713.db2.gz ICOAXNGCMAXQTE-UHFFFAOYSA-N 1 2 256.300 1.941 20 30 CDEDLO Cc1nnc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1C ZINC000292334620 198248998 /nfs/dbraw/zinc/24/89/98/198248998.db2.gz WNQVZOQXJKSTCF-CYBMUJFWSA-N 1 2 298.350 1.044 20 30 CDEDLO Cc1nnc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1C ZINC000292334620 198249000 /nfs/dbraw/zinc/24/90/00/198249000.db2.gz WNQVZOQXJKSTCF-CYBMUJFWSA-N 1 2 298.350 1.044 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)c1cccc(C#N)c1 ZINC000154849966 188165860 /nfs/dbraw/zinc/16/58/60/188165860.db2.gz SOUQRZYXDDGQTM-UHFFFAOYSA-N 1 2 268.320 1.917 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccncc1Cl ZINC000570097764 363356561 /nfs/dbraw/zinc/35/65/61/363356561.db2.gz KMXUCXQMWDXDLV-LBPRGKRZSA-N 1 2 266.732 1.309 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000370748568 283140758 /nfs/dbraw/zinc/14/07/58/283140758.db2.gz HHZILJRNMWKADP-MRXNPFEDSA-N 1 2 271.364 1.465 20 30 CDEDLO CN(CC1CC1)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352457009 363494694 /nfs/dbraw/zinc/49/46/94/363494694.db2.gz BIQJTBHVOYDSON-UHFFFAOYSA-N 1 2 253.321 1.182 20 30 CDEDLO COCc1noc(CO[NH+]=C(N)[C@@H](C)OCC(C)C)n1 ZINC000179688998 357220325 /nfs/dbraw/zinc/22/03/25/357220325.db2.gz VHAJGFCRKMZBRV-SECBINFHSA-N 1 2 286.332 1.066 20 30 CDEDLO COc1ccc(C[N@H+](C)[C@@H](C)CS(C)(=O)=O)cc1C#N ZINC000135072338 357435387 /nfs/dbraw/zinc/43/53/87/357435387.db2.gz AZUDQMZSIYMMSV-NSHDSACASA-N 1 2 296.392 1.432 20 30 CDEDLO COc1ccc(C[N@@H+](C)[C@@H](C)CS(C)(=O)=O)cc1C#N ZINC000135072338 357435391 /nfs/dbraw/zinc/43/53/91/357435391.db2.gz AZUDQMZSIYMMSV-NSHDSACASA-N 1 2 296.392 1.432 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c(F)c1 ZINC000185161711 357516043 /nfs/dbraw/zinc/51/60/43/357516043.db2.gz OUWNUGHJOSGLSO-HNNXBMFYSA-N 1 2 276.311 1.689 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)c(F)c1 ZINC000185161711 357516046 /nfs/dbraw/zinc/51/60/46/357516046.db2.gz OUWNUGHJOSGLSO-HNNXBMFYSA-N 1 2 276.311 1.689 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]12CCOC2=O ZINC000186631917 357670271 /nfs/dbraw/zinc/67/02/71/357670271.db2.gz PVBNZDSNUWBNQO-INIZCTEOSA-N 1 2 286.331 1.848 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@]12CCOC2=O ZINC000186631917 357670275 /nfs/dbraw/zinc/67/02/75/357670275.db2.gz PVBNZDSNUWBNQO-INIZCTEOSA-N 1 2 286.331 1.848 20 30 CDEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCOC1 ZINC000135121572 357675102 /nfs/dbraw/zinc/67/51/02/357675102.db2.gz SCPFVGRMPAUKNC-CYBMUJFWSA-N 1 2 294.376 1.053 20 30 CDEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCOC1 ZINC000135121572 357675103 /nfs/dbraw/zinc/67/51/03/357675103.db2.gz SCPFVGRMPAUKNC-CYBMUJFWSA-N 1 2 294.376 1.053 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCC[C@]23CCOC3=O)c1 ZINC000186730191 357679635 /nfs/dbraw/zinc/67/96/35/357679635.db2.gz FOKMPNDVCJEUOW-OAHLLOKOSA-N 1 2 256.305 1.840 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@]23CCOC3=O)c1 ZINC000186730191 357679638 /nfs/dbraw/zinc/67/96/38/357679638.db2.gz FOKMPNDVCJEUOW-OAHLLOKOSA-N 1 2 256.305 1.840 20 30 CDEDLO CC(C)c1ccoc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000580333520 358527195 /nfs/dbraw/zinc/52/71/95/358527195.db2.gz VNRZEBMKMLKQKW-CQSZACIVSA-N 1 2 263.341 1.977 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCc3ncsc3C2)nc1 ZINC000567058361 358623465 /nfs/dbraw/zinc/62/34/65/358623465.db2.gz KNUZJGHLGFGIGN-UHFFFAOYSA-N 1 2 256.334 1.968 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCc3ncsc3C2)nc1 ZINC000567058361 358623467 /nfs/dbraw/zinc/62/34/67/358623467.db2.gz KNUZJGHLGFGIGN-UHFFFAOYSA-N 1 2 256.334 1.968 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000563080973 358659495 /nfs/dbraw/zinc/65/94/95/358659495.db2.gz KXFYZDVKHMVXHX-KBPBESRZSA-N 1 2 293.411 1.638 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000563080973 358659498 /nfs/dbraw/zinc/65/94/98/358659498.db2.gz KXFYZDVKHMVXHX-KBPBESRZSA-N 1 2 293.411 1.638 20 30 CDEDLO C[C@@H](C[S@](C)=O)[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000185107437 358772653 /nfs/dbraw/zinc/77/26/53/358772653.db2.gz ANKVYKZHHXYNDX-YBTHPKLGSA-N 1 2 293.392 1.196 20 30 CDEDLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000185107437 358772657 /nfs/dbraw/zinc/77/26/57/358772657.db2.gz ANKVYKZHHXYNDX-YBTHPKLGSA-N 1 2 293.392 1.196 20 30 CDEDLO O=C(NC1CC1)[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000151498901 358801661 /nfs/dbraw/zinc/80/16/61/358801661.db2.gz UFQBOZDYSYAXBM-MRXNPFEDSA-N 1 2 286.350 1.920 20 30 CDEDLO O=C(NC1CC1)[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000151498901 358801663 /nfs/dbraw/zinc/80/16/63/358801663.db2.gz UFQBOZDYSYAXBM-MRXNPFEDSA-N 1 2 286.350 1.920 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1ccnc(Cl)c1 ZINC000493731663 366491237 /nfs/dbraw/zinc/49/12/37/366491237.db2.gz YTSKSSAZHYJYMJ-ISZGNANSSA-N 1 2 292.770 1.708 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000127510092 359121509 /nfs/dbraw/zinc/12/15/09/359121509.db2.gz WCDPYNBZBIZEFD-CYBMUJFWSA-N 1 2 282.303 1.575 20 30 CDEDLO C=CCN(C)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000275093271 359526949 /nfs/dbraw/zinc/52/69/49/359526949.db2.gz AEXHGWBEAFDHGO-UHFFFAOYSA-N 1 2 274.364 1.777 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCc1[nH+]ccn1CC ZINC000297157724 200100757 /nfs/dbraw/zinc/10/07/57/200100757.db2.gz JNONZMMJYLULOT-CQSZACIVSA-N 1 2 265.357 1.748 20 30 CDEDLO CC#CCN(C)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000297184533 200107771 /nfs/dbraw/zinc/10/77/71/200107771.db2.gz JTXSSSIIHVONQA-UHFFFAOYSA-N 1 2 270.336 1.807 20 30 CDEDLO C=CC[NH+](CC=C)[C@H](C(=O)OC)C1(OC)CCC1 ZINC000297923713 200305810 /nfs/dbraw/zinc/30/58/10/200305810.db2.gz QQWIVCRTLCTHAT-GFCCVEGCSA-N 1 2 253.342 1.771 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000331463485 360009293 /nfs/dbraw/zinc/00/92/93/360009293.db2.gz LBHUPGMAZFDISR-BZPMIXESSA-N 1 2 279.384 1.246 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000331463485 360009296 /nfs/dbraw/zinc/00/92/96/360009296.db2.gz LBHUPGMAZFDISR-BZPMIXESSA-N 1 2 279.384 1.246 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@H](CC)C1 ZINC000045752120 360030943 /nfs/dbraw/zinc/03/09/43/360030943.db2.gz ZPTBVXQFNUJASX-CYBMUJFWSA-N 1 2 252.358 1.298 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@H](CC)C1 ZINC000045752120 360030944 /nfs/dbraw/zinc/03/09/44/360030944.db2.gz ZPTBVXQFNUJASX-CYBMUJFWSA-N 1 2 252.358 1.298 20 30 CDEDLO COCC[N@H+](CC(=O)OC)Cc1ccc(C#N)cc1 ZINC000058397737 360127412 /nfs/dbraw/zinc/12/74/12/360127412.db2.gz RKPLWLVLWXUKPY-UHFFFAOYSA-N 1 2 262.309 1.180 20 30 CDEDLO COCC[N@@H+](CC(=O)OC)Cc1ccc(C#N)cc1 ZINC000058397737 360127415 /nfs/dbraw/zinc/12/74/15/360127415.db2.gz RKPLWLVLWXUKPY-UHFFFAOYSA-N 1 2 262.309 1.180 20 30 CDEDLO C=CCCC[C@H](C)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000348575886 360421259 /nfs/dbraw/zinc/42/12/59/360421259.db2.gz ROXLXFMUHDKWGM-JQWIXIFHSA-N 1 2 276.340 1.617 20 30 CDEDLO C=CCCC[C@H](C)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000348575886 360421265 /nfs/dbraw/zinc/42/12/65/360421265.db2.gz ROXLXFMUHDKWGM-JQWIXIFHSA-N 1 2 276.340 1.617 20 30 CDEDLO COC(=O)c1ccc(NCCCCn2cc[nH+]c2)c(C#N)n1 ZINC000572378475 360501245 /nfs/dbraw/zinc/50/12/45/360501245.db2.gz GGVNUVZKRPZVOF-UHFFFAOYSA-N 1 2 299.334 1.829 20 30 CDEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)N1CCCC1 ZINC000157246574 360809220 /nfs/dbraw/zinc/80/92/20/360809220.db2.gz WGIJUOUKVSBRTG-UHFFFAOYSA-N 1 2 251.374 1.871 20 30 CDEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)N1CCCC1 ZINC000157246574 360809223 /nfs/dbraw/zinc/80/92/23/360809223.db2.gz WGIJUOUKVSBRTG-UHFFFAOYSA-N 1 2 251.374 1.871 20 30 CDEDLO CCC(CC)[C@@H](C(=O)N(C)C[C@@H](C)C#N)[NH+]1CCOCC1 ZINC000359267710 360831519 /nfs/dbraw/zinc/83/15/19/360831519.db2.gz XDXQHAPAETXGGI-ZFWWWQNUSA-N 1 2 295.427 1.741 20 30 CDEDLO CCc1ccccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000563220027 360898714 /nfs/dbraw/zinc/89/87/14/360898714.db2.gz DTPROCSBNHIANC-HNNXBMFYSA-N 1 2 259.353 1.823 20 30 CDEDLO CN(C)c1ccc(CNC(=O)NCC2(CC#N)CC2)c[nH+]1 ZINC000430186522 360908261 /nfs/dbraw/zinc/90/82/61/360908261.db2.gz LUQNZAIXAJPTKT-UHFFFAOYSA-N 1 2 287.367 1.641 20 30 CDEDLO CC(C)(C)OC(=O)N1CC2(C1)C[N@H+](CCCC#N)CCO2 ZINC000496195916 366699826 /nfs/dbraw/zinc/69/98/26/366699826.db2.gz LSVMBKBKRGLJRG-UHFFFAOYSA-N 1 2 295.383 1.612 20 30 CDEDLO CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](CCCC#N)CCO2 ZINC000496195916 366699828 /nfs/dbraw/zinc/69/98/28/366699828.db2.gz LSVMBKBKRGLJRG-UHFFFAOYSA-N 1 2 295.383 1.612 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000562355518 361331744 /nfs/dbraw/zinc/33/17/44/361331744.db2.gz AFJARKXTGRAIRQ-LBPRGKRZSA-N 1 2 283.335 1.843 20 30 CDEDLO COc1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cc1C#N ZINC000168536442 361427777 /nfs/dbraw/zinc/42/77/77/361427777.db2.gz OCTSFMSXPDOCSD-CQSZACIVSA-N 1 2 285.347 1.373 20 30 CDEDLO COc1ccc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)cc1C#N ZINC000168536442 361427781 /nfs/dbraw/zinc/42/77/81/361427781.db2.gz OCTSFMSXPDOCSD-CQSZACIVSA-N 1 2 285.347 1.373 20 30 CDEDLO O=C(N[C@H]1CCCOC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329485156 361525502 /nfs/dbraw/zinc/52/55/02/361525502.db2.gz WZXHAFAZLVBFDV-GXTWGEPZSA-N 1 2 282.384 1.765 20 30 CDEDLO O=C(N[C@H]1CCCOC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329485156 361525511 /nfs/dbraw/zinc/52/55/11/361525511.db2.gz WZXHAFAZLVBFDV-GXTWGEPZSA-N 1 2 282.384 1.765 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H](CO)c2ccc(F)cc2)nn1 ZINC000653611695 412722289 /nfs/dbraw/zinc/72/22/89/412722289.db2.gz IZVTVZZGHDHQNB-HNNXBMFYSA-N 1 2 290.342 1.817 20 30 CDEDLO CS[C@@H](C)CCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000570686246 363881236 /nfs/dbraw/zinc/88/12/36/363881236.db2.gz BANMSTWJTHVCEV-JQWIXIFHSA-N 1 2 257.403 1.478 20 30 CDEDLO N#Cc1cccc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000456220709 364040073 /nfs/dbraw/zinc/04/00/73/364040073.db2.gz WYAWUMDADMYASQ-GASCZTMLSA-N 1 2 285.347 1.151 20 30 CDEDLO N#Cc1cccc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000456220709 364040076 /nfs/dbraw/zinc/04/00/76/364040076.db2.gz WYAWUMDADMYASQ-GASCZTMLSA-N 1 2 285.347 1.151 20 30 CDEDLO CCOc1nc(C)ccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000570876574 364061709 /nfs/dbraw/zinc/06/17/09/364061709.db2.gz YVWFPIWFVNALBU-OAHLLOKOSA-N 1 2 290.367 1.362 20 30 CDEDLO C=C(Br)CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000302916922 364600451 /nfs/dbraw/zinc/60/04/51/364600451.db2.gz WKWWKYBPFXEZDM-UHFFFAOYSA-N 1 2 299.172 1.634 20 30 CDEDLO C=C(Br)CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000302916922 364600452 /nfs/dbraw/zinc/60/04/52/364600452.db2.gz WKWWKYBPFXEZDM-UHFFFAOYSA-N 1 2 299.172 1.634 20 30 CDEDLO CNC(=O)[C@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000249401948 364675610 /nfs/dbraw/zinc/67/56/10/364675610.db2.gz VLLGXUSREATEQM-SMDDNHRTSA-N 1 2 273.336 1.066 20 30 CDEDLO CNC(=O)[C@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000249401948 364675617 /nfs/dbraw/zinc/67/56/17/364675617.db2.gz VLLGXUSREATEQM-SMDDNHRTSA-N 1 2 273.336 1.066 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367086466 364781701 /nfs/dbraw/zinc/78/17/01/364781701.db2.gz UKOBSEIKWXMKQL-OAHLLOKOSA-N 1 2 296.330 1.641 20 30 CDEDLO C#CCCC[N@H+]1CCOC[C@H]1CC(=O)c1ccco1 ZINC000275454462 193044955 /nfs/dbraw/zinc/04/49/55/193044955.db2.gz LSHOZNXVERJZEI-CYBMUJFWSA-N 1 2 261.321 1.967 20 30 CDEDLO C#CCCC[N@@H+]1CCOC[C@H]1CC(=O)c1ccco1 ZINC000275454462 193044958 /nfs/dbraw/zinc/04/49/58/193044958.db2.gz LSHOZNXVERJZEI-CYBMUJFWSA-N 1 2 261.321 1.967 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ncn(C)n1 ZINC000275763664 193122535 /nfs/dbraw/zinc/12/25/35/193122535.db2.gz SAKWSOQKAZNSTL-VXGBXAGGSA-N 1 2 277.372 1.055 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346620 367738130 /nfs/dbraw/zinc/73/81/30/367738130.db2.gz CDSBTOYJEHFZQA-UHFFFAOYSA-N 1 2 263.297 1.329 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346620 367738133 /nfs/dbraw/zinc/73/81/33/367738133.db2.gz CDSBTOYJEHFZQA-UHFFFAOYSA-N 1 2 263.297 1.329 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000129554153 368635251 /nfs/dbraw/zinc/63/52/51/368635251.db2.gz DEWFJWAJJQYCJI-NSHDSACASA-N 1 2 256.309 1.428 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000129554153 368635255 /nfs/dbraw/zinc/63/52/55/368635255.db2.gz DEWFJWAJJQYCJI-NSHDSACASA-N 1 2 256.309 1.428 20 30 CDEDLO C[C@H]1COC[C@H](C)[NH+]1CC(=O)NCc1cccc(C#N)c1 ZINC000330877115 203341995 /nfs/dbraw/zinc/34/19/95/203341995.db2.gz WAXANLCPFMFWAJ-STQMWFEESA-N 1 2 287.363 1.284 20 30 CDEDLO CCOc1ccccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000573657874 371612255 /nfs/dbraw/zinc/61/22/55/371612255.db2.gz FCZJTMVIADRRKZ-HNNXBMFYSA-N 1 2 275.352 1.659 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCCSC1 ZINC000577956368 372184948 /nfs/dbraw/zinc/18/49/48/372184948.db2.gz ZIZDBQUNLVYPMV-ZYHUDNBSSA-N 1 2 255.387 1.090 20 30 CDEDLO CNc1ccc(C#N)cc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000332602585 204825573 /nfs/dbraw/zinc/82/55/73/204825573.db2.gz JKXSIJCDEFAGBI-GFCCVEGCSA-N 1 2 295.346 1.998 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000180488290 372379710 /nfs/dbraw/zinc/37/97/10/372379710.db2.gz VZTJOHQHAPBHRE-KGLIPLIRSA-N 1 2 283.416 1.751 20 30 CDEDLO Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000578632081 372524294 /nfs/dbraw/zinc/52/42/94/372524294.db2.gz KEUFPKHEGLDTBT-ZUZCIYMTSA-N 1 2 291.399 1.101 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCSC[C@@H]1C(=O)OCC ZINC000579182309 372554537 /nfs/dbraw/zinc/55/45/37/372554537.db2.gz MULFKNLGSBXSNE-NWDGAFQWSA-N 1 2 273.398 1.294 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCSC[C@@H]1C(=O)OCC ZINC000579182309 372554542 /nfs/dbraw/zinc/55/45/42/372554542.db2.gz MULFKNLGSBXSNE-NWDGAFQWSA-N 1 2 273.398 1.294 20 30 CDEDLO Cc1noc([C@@H](C)[NH2+]CCC(=O)Nc2cccc(C#N)c2)n1 ZINC000348094321 372986856 /nfs/dbraw/zinc/98/68/56/372986856.db2.gz XOYWJBQSULKSSX-SNVBAGLBSA-N 1 2 299.334 1.929 20 30 CDEDLO CC[C@H](C(=O)OC)N1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000348558524 373295145 /nfs/dbraw/zinc/29/51/45/373295145.db2.gz SFBMJRKASOLKFK-CQSZACIVSA-N 1 2 291.351 1.220 20 30 CDEDLO CN(CC[NH+]1CCOCC1)C(=O)/C=C/c1ccccc1C#N ZINC000171417882 373373154 /nfs/dbraw/zinc/37/31/54/373373154.db2.gz QXBKXHTUYAHPQC-VOTSOKGWSA-N 1 2 299.374 1.362 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1nc(-c2ccco2)no1 ZINC000191083735 373442922 /nfs/dbraw/zinc/44/29/22/373442922.db2.gz GFOREYMNESUQNG-UHFFFAOYSA-N 1 2 263.297 1.964 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1nc(-c2ccco2)no1 ZINC000191083735 373442927 /nfs/dbraw/zinc/44/29/27/373442927.db2.gz GFOREYMNESUQNG-UHFFFAOYSA-N 1 2 263.297 1.964 20 30 CDEDLO CCOC(=O)C[N@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191245419 373468366 /nfs/dbraw/zinc/46/83/66/373468366.db2.gz ZXVMQBOBLDQKRL-UHFFFAOYSA-N 1 2 261.325 1.424 20 30 CDEDLO CCOC(=O)C[N@@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191245419 373468372 /nfs/dbraw/zinc/46/83/72/373468372.db2.gz ZXVMQBOBLDQKRL-UHFFFAOYSA-N 1 2 261.325 1.424 20 30 CDEDLO Cc1nn(C)cc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000122903877 373673676 /nfs/dbraw/zinc/67/36/76/373673676.db2.gz GABBCRUPBULKPY-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000330531883 373691277 /nfs/dbraw/zinc/69/12/77/373691277.db2.gz SPPRLKUQQWMHAB-INIZCTEOSA-N 1 2 287.363 1.998 20 30 CDEDLO CC[C@@]1(C)COCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000330531883 373691290 /nfs/dbraw/zinc/69/12/90/373691290.db2.gz SPPRLKUQQWMHAB-INIZCTEOSA-N 1 2 287.363 1.998 20 30 CDEDLO Cc1cc(N2CCN(c3ccccc3C#N)CC2)nc[nH+]1 ZINC000301264263 373879240 /nfs/dbraw/zinc/87/92/40/373879240.db2.gz SXLITFVCPLICDX-UHFFFAOYSA-N 1 2 279.347 1.983 20 30 CDEDLO CO[C@@H](C)C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000360210488 374005722 /nfs/dbraw/zinc/00/57/22/374005722.db2.gz YXAMHJLVTYDGAV-SWLSCSKDSA-N 1 2 260.337 1.966 20 30 CDEDLO CO[C@@H](C)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000360210488 374005725 /nfs/dbraw/zinc/00/57/25/374005725.db2.gz YXAMHJLVTYDGAV-SWLSCSKDSA-N 1 2 260.337 1.966 20 30 CDEDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1cccc(C#N)c1 ZINC000350867408 374122697 /nfs/dbraw/zinc/12/26/97/374122697.db2.gz GSFWCPRCAYPWLF-VXGBXAGGSA-N 1 2 293.392 1.271 20 30 CDEDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1cccc(C#N)c1 ZINC000350867408 374122705 /nfs/dbraw/zinc/12/27/05/374122705.db2.gz GSFWCPRCAYPWLF-VXGBXAGGSA-N 1 2 293.392 1.271 20 30 CDEDLO N#Cc1cccc(CCNC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000357683365 374104386 /nfs/dbraw/zinc/10/43/86/374104386.db2.gz DWVZHTXEAVWDKZ-UHFFFAOYSA-N 1 2 268.320 1.573 20 30 CDEDLO N#Cc1cccc(CCNC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000357683365 374104398 /nfs/dbraw/zinc/10/43/98/374104398.db2.gz DWVZHTXEAVWDKZ-UHFFFAOYSA-N 1 2 268.320 1.573 20 30 CDEDLO CS(=O)(=O)NCC[N@H+](Cc1ccc(C#N)s1)C1CC1 ZINC000516083497 374173407 /nfs/dbraw/zinc/17/34/07/374173407.db2.gz VREISNBBIKYVKF-UHFFFAOYSA-N 1 2 299.421 1.133 20 30 CDEDLO CS(=O)(=O)NCC[N@@H+](Cc1ccc(C#N)s1)C1CC1 ZINC000516083497 374173415 /nfs/dbraw/zinc/17/34/15/374173415.db2.gz VREISNBBIKYVKF-UHFFFAOYSA-N 1 2 299.421 1.133 20 30 CDEDLO C[C@H]([C@H](C)[N@H+](C)Cc1ccc(C#N)cc1)S(C)(=O)=O ZINC000113257428 374248138 /nfs/dbraw/zinc/24/81/38/374248138.db2.gz GUGCYUMKOQJVQH-NWDGAFQWSA-N 1 2 280.393 1.812 20 30 CDEDLO C[C@H]([C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1)S(C)(=O)=O ZINC000113257428 374248143 /nfs/dbraw/zinc/24/81/43/374248143.db2.gz GUGCYUMKOQJVQH-NWDGAFQWSA-N 1 2 280.393 1.812 20 30 CDEDLO C=CCNC(=O)C[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000640137307 374283214 /nfs/dbraw/zinc/28/32/14/374283214.db2.gz IMWMSYYNKPRPGQ-UHFFFAOYSA-N 1 2 277.343 1.250 20 30 CDEDLO CCOC(=O)C[N@@H+]1CCCN(c2cnccc2C#N)CC1 ZINC000371167954 374410812 /nfs/dbraw/zinc/41/08/12/374410812.db2.gz YOESAHZDUAAEJA-UHFFFAOYSA-N 1 2 288.351 1.028 20 30 CDEDLO CCOC(=O)C[N@H+]1CCCN(c2cnccc2C#N)CC1 ZINC000371167954 374410814 /nfs/dbraw/zinc/41/08/14/374410814.db2.gz YOESAHZDUAAEJA-UHFFFAOYSA-N 1 2 288.351 1.028 20 30 CDEDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000371186865 374412437 /nfs/dbraw/zinc/41/24/37/374412437.db2.gz ZRVAPVUEOIXKLJ-JTQLQIEISA-N 1 2 261.300 1.408 20 30 CDEDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000371186865 374412441 /nfs/dbraw/zinc/41/24/41/374412441.db2.gz ZRVAPVUEOIXKLJ-JTQLQIEISA-N 1 2 261.300 1.408 20 30 CDEDLO CC1(C)C[S@](=O)CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000330986883 374877569 /nfs/dbraw/zinc/87/75/69/374877569.db2.gz GFOOIUDIKAEHNN-HXUWFJFHSA-N 1 2 292.404 1.780 20 30 CDEDLO CC1(C)C[S@](=O)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000330986883 374877576 /nfs/dbraw/zinc/87/75/76/374877576.db2.gz GFOOIUDIKAEHNN-HXUWFJFHSA-N 1 2 292.404 1.780 20 30 CDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCO[C@H]3CCC[C@H]32)cc1 ZINC000280528580 374999941 /nfs/dbraw/zinc/99/99/41/374999941.db2.gz CSCDYIQZBRURFT-CVEARBPZSA-N 1 2 299.374 1.428 20 30 CDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCO[C@H]3CCC[C@H]32)cc1 ZINC000280528580 374999947 /nfs/dbraw/zinc/99/99/47/374999947.db2.gz CSCDYIQZBRURFT-CVEARBPZSA-N 1 2 299.374 1.428 20 30 CDEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccnc(C#N)c1 ZINC000332329486 375026259 /nfs/dbraw/zinc/02/62/59/375026259.db2.gz PTJSVEDFNVTSDG-UHFFFAOYSA-N 1 2 295.346 1.758 20 30 CDEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cc(C#N)c[nH]1 ZINC000334360306 375029006 /nfs/dbraw/zinc/02/90/06/375029006.db2.gz YQWWIPVTFCWYAZ-UHFFFAOYSA-N 1 2 283.335 1.691 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC000131749411 375335175 /nfs/dbraw/zinc/33/51/75/375335175.db2.gz NSMHNLLTUYBMEQ-ZDUSSCGKSA-N 1 2 274.320 1.704 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1OC ZINC000131749411 375335180 /nfs/dbraw/zinc/33/51/80/375335180.db2.gz NSMHNLLTUYBMEQ-ZDUSSCGKSA-N 1 2 274.320 1.704 20 30 CDEDLO O=C1OC[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CCN12 ZINC000359980208 375490891 /nfs/dbraw/zinc/49/08/91/375490891.db2.gz XWEWTJOKWODRFJ-AWEZNQCLSA-N 1 2 274.295 1.314 20 30 CDEDLO O=C1OC[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)CCN12 ZINC000359980208 375490899 /nfs/dbraw/zinc/49/08/99/375490899.db2.gz XWEWTJOKWODRFJ-AWEZNQCLSA-N 1 2 274.295 1.314 20 30 CDEDLO CN1CC[N@H+](C)[C@@H](CNc2ccc(C#N)c([N+](=O)[O-])c2)C1 ZINC000227309814 375497811 /nfs/dbraw/zinc/49/78/11/375497811.db2.gz TWFNGQJZYVNBRA-ZDUSSCGKSA-N 1 2 289.339 1.124 20 30 CDEDLO CN1CC[N@@H+](C)[C@@H](CNc2ccc(C#N)c([N+](=O)[O-])c2)C1 ZINC000227309814 375497819 /nfs/dbraw/zinc/49/78/19/375497819.db2.gz TWFNGQJZYVNBRA-ZDUSSCGKSA-N 1 2 289.339 1.124 20 30 CDEDLO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000328606194 375890386 /nfs/dbraw/zinc/89/03/86/375890386.db2.gz KFNQVWSQEOCLDQ-JFGNBEQYSA-N 1 2 276.340 1.767 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000328832480 375978695 /nfs/dbraw/zinc/97/86/95/375978695.db2.gz LIAPDZSCQHGZKE-CYBMUJFWSA-N 1 2 290.367 1.463 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)CC[C@H]2CCCO2)C1 ZINC000328724300 375924780 /nfs/dbraw/zinc/92/47/80/375924780.db2.gz YLDZTCRLWHZWSM-VXGBXAGGSA-N 1 2 256.346 1.233 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)CC[C@H]2CCCO2)C1 ZINC000328724300 375924790 /nfs/dbraw/zinc/92/47/90/375924790.db2.gz YLDZTCRLWHZWSM-VXGBXAGGSA-N 1 2 256.346 1.233 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CSC1(C)C ZINC000328714964 375936309 /nfs/dbraw/zinc/93/63/09/375936309.db2.gz CPIZCSNUYCLOGF-MNOVXSKESA-N 1 2 287.429 1.105 20 30 CDEDLO CCc1nnc([C@H](C)NC(=O)[C@H](C)[NH+]2CCSCC2)[nH]1 ZINC000328944641 376015823 /nfs/dbraw/zinc/01/58/23/376015823.db2.gz UUCMDUSNBLKAKQ-UWVGGRQHSA-N 1 2 297.428 1.822 20 30 CDEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2scnc2C2CC2)C1 ZINC000328946658 376017923 /nfs/dbraw/zinc/01/79/23/376017923.db2.gz VNXDAKUKFJBTLA-SECBINFHSA-N 1 2 267.354 1.939 20 30 CDEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2scnc2C2CC2)C1 ZINC000328946658 376017926 /nfs/dbraw/zinc/01/79/26/376017926.db2.gz VNXDAKUKFJBTLA-SECBINFHSA-N 1 2 267.354 1.939 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@H]1CCCN(C(C)C)C1=O ZINC000245620101 376116980 /nfs/dbraw/zinc/11/69/80/376116980.db2.gz NMKOFEKBHDTDGC-OLZOCXBDSA-N 1 2 251.374 1.867 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCCN(C(C)C)C1=O ZINC000245620101 376116985 /nfs/dbraw/zinc/11/69/85/376116985.db2.gz NMKOFEKBHDTDGC-OLZOCXBDSA-N 1 2 251.374 1.867 20 30 CDEDLO N#CCCCCS(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000330683532 376298673 /nfs/dbraw/zinc/29/86/73/376298673.db2.gz PDWVDNMSOUNTFQ-UHFFFAOYSA-N 1 2 296.396 1.544 20 30 CDEDLO CN(C)c1ccc(CNC(=O)NC[C@@H]2CC[C@H](O)C2)c[nH+]1 ZINC000331012010 376451738 /nfs/dbraw/zinc/45/17/38/376451738.db2.gz JSSLKAKKPJVGJE-YPMHNXCESA-N 1 2 292.383 1.312 20 30 CDEDLO C=CC[N@@H+](C[C@@H]1CC[C@H](C)O1)[C@H]1CCS(=O)(=O)C1 ZINC000248896476 377353813 /nfs/dbraw/zinc/35/38/13/377353813.db2.gz JRKCYCLKKJCGLX-AVGNSLFASA-N 1 2 273.398 1.229 20 30 CDEDLO C=CC[N@H+](C[C@@H]1CC[C@H](C)O1)[C@H]1CCS(=O)(=O)C1 ZINC000248896476 377353822 /nfs/dbraw/zinc/35/38/22/377353822.db2.gz JRKCYCLKKJCGLX-AVGNSLFASA-N 1 2 273.398 1.229 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000249382887 377429631 /nfs/dbraw/zinc/42/96/31/377429631.db2.gz VATSISAKLUBVDB-VXGBXAGGSA-N 1 2 262.357 1.280 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000249382887 377429634 /nfs/dbraw/zinc/42/96/34/377429634.db2.gz VATSISAKLUBVDB-VXGBXAGGSA-N 1 2 262.357 1.280 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N(C)Cc1ccccc1 ZINC000076185861 377465592 /nfs/dbraw/zinc/46/55/92/377465592.db2.gz QEWOODMAEFZJFQ-UHFFFAOYSA-N 1 2 254.333 1.213 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N(C)Cc1cccs1 ZINC000076185231 377467039 /nfs/dbraw/zinc/46/70/39/377467039.db2.gz YSGWBIUAEHWAKA-UHFFFAOYSA-N 1 2 260.362 1.275 20 30 CDEDLO C=C1CC(C)(C(=O)N2CCN(C)[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000632615936 377674365 /nfs/dbraw/zinc/67/43/65/377674365.db2.gz QNJDYDSMYSVREH-GFCCVEGCSA-N 1 2 274.368 1.581 20 30 CDEDLO N#CC1CC[NH+](CC(=O)Nc2ccc(Cl)cn2)CC1 ZINC000057876242 377858601 /nfs/dbraw/zinc/85/86/01/377858601.db2.gz OGRCALWMJTXRKZ-UHFFFAOYSA-N 1 2 278.743 1.909 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000293147038 378539536 /nfs/dbraw/zinc/53/95/36/378539536.db2.gz NYFDUVJPIARPBS-UHFFFAOYSA-N 1 2 274.320 1.367 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000293147038 378539544 /nfs/dbraw/zinc/53/95/44/378539544.db2.gz NYFDUVJPIARPBS-UHFFFAOYSA-N 1 2 274.320 1.367 20 30 CDEDLO C=CCOCC[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000293540741 378573262 /nfs/dbraw/zinc/57/32/62/378573262.db2.gz KECXSLZOOHNOEO-UHFFFAOYSA-N 1 2 292.408 1.648 20 30 CDEDLO CS(=O)(=O)C[C@@H]([NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000343566437 378929078 /nfs/dbraw/zinc/92/90/78/378929078.db2.gz SLIJYDJMNJLMFB-CYBMUJFWSA-N 1 2 278.377 1.666 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000278528829 194029403 /nfs/dbraw/zinc/02/94/03/194029403.db2.gz DOZVXRQAVYFCAM-MRXNPFEDSA-N 1 2 289.379 1.053 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000682039010 483115436 /nfs/dbraw/zinc/11/54/36/483115436.db2.gz OORAUELPCATDTQ-NSHDSACASA-N 1 2 280.290 1.332 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000682039010 483115445 /nfs/dbraw/zinc/11/54/45/483115445.db2.gz OORAUELPCATDTQ-NSHDSACASA-N 1 2 280.290 1.332 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCCCC#N)C1 ZINC000343992725 379028611 /nfs/dbraw/zinc/02/86/11/379028611.db2.gz NMBRQVZCCDBSGN-NSHDSACASA-N 1 2 261.329 1.223 20 30 CDEDLO C=CCNC(=O)CSc1nc(N)cc(CC)[nH+]1 ZINC000279053619 194264740 /nfs/dbraw/zinc/26/47/40/194264740.db2.gz HOALSQAKUKZDRT-UHFFFAOYSA-N 1 2 252.343 1.016 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)CC(=O)N(C)c1nccs1 ZINC000279299832 194374997 /nfs/dbraw/zinc/37/49/97/194374997.db2.gz QDQBQPIAGWSNFJ-UHFFFAOYSA-N 1 2 251.355 1.450 20 30 CDEDLO C#CC(C)(C)[N@H+](C)CC(=O)N(C)c1nccs1 ZINC000279299832 194374998 /nfs/dbraw/zinc/37/49/98/194374998.db2.gz QDQBQPIAGWSNFJ-UHFFFAOYSA-N 1 2 251.355 1.450 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNc1cccc(C#N)c1[N+](=O)[O-] ZINC000450311704 251218787 /nfs/dbraw/zinc/21/87/87/251218787.db2.gz DWIMWJXBTPEUJH-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNc1cccc(C#N)c1[N+](=O)[O-] ZINC000450311704 251218792 /nfs/dbraw/zinc/21/87/92/251218792.db2.gz DWIMWJXBTPEUJH-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO C#CCCCC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000192094560 533008636 /nfs/dbraw/zinc/00/86/36/533008636.db2.gz BNWDGUYCMQYBPP-UHFFFAOYSA-N 1 2 291.420 1.899 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)/C=C/c2ccc(C#N)cc2)CCO1 ZINC000491413463 253080376 /nfs/dbraw/zinc/08/03/76/253080376.db2.gz FFYKOXMNFVIUJS-UZYOAWRESA-N 1 2 299.374 1.408 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)/C=C/c2ccc(C#N)cc2)CCO1 ZINC000491413463 253080379 /nfs/dbraw/zinc/08/03/79/253080379.db2.gz FFYKOXMNFVIUJS-UZYOAWRESA-N 1 2 299.374 1.408 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)/C=C/c1cccc(C#N)c1 ZINC000491521978 253087296 /nfs/dbraw/zinc/08/72/96/253087296.db2.gz ZKOFFRGZAZVBFQ-GJBLVYBDSA-N 1 2 299.374 1.408 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)/C=C/c1cccc(C#N)c1 ZINC000491521978 253087298 /nfs/dbraw/zinc/08/72/98/253087298.db2.gz ZKOFFRGZAZVBFQ-GJBLVYBDSA-N 1 2 299.374 1.408 20 30 CDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)/C=C\c3ccc(C#N)cc3)C[C@@H]21 ZINC000492144849 253164201 /nfs/dbraw/zinc/16/42/01/253164201.db2.gz KXHJKFHQKKYCMQ-SHUKXNKTSA-N 1 2 297.358 1.113 20 30 CDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)/C=C\c3ccc(C#N)cc3)C[C@@H]21 ZINC000492144849 253164203 /nfs/dbraw/zinc/16/42/03/253164203.db2.gz KXHJKFHQKKYCMQ-SHUKXNKTSA-N 1 2 297.358 1.113 20 30 CDEDLO N#Cc1ccc(OCCNC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000493154322 253384621 /nfs/dbraw/zinc/38/46/21/253384621.db2.gz MBVINRFMXATZJT-UTCJRWHESA-N 1 2 282.303 1.490 20 30 CDEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)OCC)CC2)cc1 ZINC000289206443 197262488 /nfs/dbraw/zinc/26/24/88/197262488.db2.gz WBLDNQXLXDTWDB-UHFFFAOYSA-N 1 2 272.348 1.942 20 30 CDEDLO Cc1nsc(N2CC[NH+](CCOC(C)C)CC2)c1C#N ZINC000288428651 197075525 /nfs/dbraw/zinc/07/55/25/197075525.db2.gz OEBZFOSIBIDLNO-UHFFFAOYSA-N 1 2 294.424 1.870 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N2CCCC[C@H]2C)C1=O ZINC000281518836 195272417 /nfs/dbraw/zinc/27/24/17/195272417.db2.gz ZEAFIDVBYKPAKS-ZIAGYGMSSA-N 1 2 293.411 1.106 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N2CCCC[C@H]2C)C1=O ZINC000281518836 195272418 /nfs/dbraw/zinc/27/24/18/195272418.db2.gz ZEAFIDVBYKPAKS-ZIAGYGMSSA-N 1 2 293.411 1.106 20 30 CDEDLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000186986735 390166123 /nfs/dbraw/zinc/16/61/23/390166123.db2.gz IRDXXBYXKOXRJP-GFCCVEGCSA-N 1 2 273.336 1.100 20 30 CDEDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000186986735 390166126 /nfs/dbraw/zinc/16/61/26/390166126.db2.gz IRDXXBYXKOXRJP-GFCCVEGCSA-N 1 2 273.336 1.100 20 30 CDEDLO C[C@@H]1CCC[N@H+](Cc2nc(C#N)cs2)[C@H]1CO ZINC000419248482 390552053 /nfs/dbraw/zinc/55/20/53/390552053.db2.gz YDOJZAPXKCHWTK-KOLCDFICSA-N 1 2 251.355 1.608 20 30 CDEDLO C[C@@H]1CCC[N@@H+](Cc2nc(C#N)cs2)[C@H]1CO ZINC000419248482 390552058 /nfs/dbraw/zinc/55/20/58/390552058.db2.gz YDOJZAPXKCHWTK-KOLCDFICSA-N 1 2 251.355 1.608 20 30 CDEDLO CC[N@H+](CCn1c(C)csc1=O)C[C@@H](C)C#N ZINC000121850481 390893957 /nfs/dbraw/zinc/89/39/57/390893957.db2.gz LJNDFANMMCIVHD-JTQLQIEISA-N 1 2 253.371 1.700 20 30 CDEDLO CC[N@@H+](CCn1c(C)csc1=O)C[C@@H](C)C#N ZINC000121850481 390893959 /nfs/dbraw/zinc/89/39/59/390893959.db2.gz LJNDFANMMCIVHD-JTQLQIEISA-N 1 2 253.371 1.700 20 30 CDEDLO CCC(CC)C[NH2+]CCNC(O)=C1N=CC=CC1=O ZINC000122973083 390908392 /nfs/dbraw/zinc/90/83/92/390908392.db2.gz UFBNZIVCOYHBQX-YPKPFQOOSA-N 1 2 265.357 1.539 20 30 CDEDLO C[C@H]1CCN(C(=O)C2(C#N)CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000124119625 390913244 /nfs/dbraw/zinc/91/32/44/390913244.db2.gz XLVRWDCNQBETAO-STQMWFEESA-N 1 2 272.352 1.986 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000151209468 390918213 /nfs/dbraw/zinc/91/82/13/390918213.db2.gz RZSJPRYXKBPYKH-CHWSQXEVSA-N 1 2 297.362 1.056 20 30 CDEDLO O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000329571912 391018757 /nfs/dbraw/zinc/01/87/57/391018757.db2.gz UVTLZKHUSKRONX-LLVKDONJSA-N 1 2 276.340 1.452 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CCC1CCOCC1 ZINC000329605096 391028156 /nfs/dbraw/zinc/02/81/56/391028156.db2.gz HGIWHKZMYIHKCY-CYBMUJFWSA-N 1 2 284.400 1.870 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)CCC1CCOCC1 ZINC000329605096 391028160 /nfs/dbraw/zinc/02/81/60/391028160.db2.gz HGIWHKZMYIHKCY-CYBMUJFWSA-N 1 2 284.400 1.870 20 30 CDEDLO O=C(NCc1ccc2c(c1)COC2)N1CCn2c[nH+]cc2C1 ZINC000329639292 391057101 /nfs/dbraw/zinc/05/71/01/391057101.db2.gz ZEQOLLIYKLUMEA-UHFFFAOYSA-N 1 2 298.346 1.843 20 30 CDEDLO N#CCCCCS(=O)(=O)N1CCOc2cc[nH+]cc21 ZINC000175680525 391139845 /nfs/dbraw/zinc/13/98/45/391139845.db2.gz VFQJTRLFLHFYPQ-UHFFFAOYSA-N 1 2 281.337 1.304 20 30 CDEDLO O=C(CCc1[nH]cc[nH+]1)NCC#Cc1ccccc1 ZINC000352451793 391142420 /nfs/dbraw/zinc/14/24/20/391142420.db2.gz YKHJFBZYHPICRA-UHFFFAOYSA-N 1 2 253.305 1.510 20 30 CDEDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000265620659 391159056 /nfs/dbraw/zinc/15/90/56/391159056.db2.gz BBGLZMNSJVKBKY-CQSZACIVSA-N 1 2 273.336 1.299 20 30 CDEDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000265620659 391159058 /nfs/dbraw/zinc/15/90/58/391159058.db2.gz BBGLZMNSJVKBKY-CQSZACIVSA-N 1 2 273.336 1.299 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCc2ncc(C)o2)cc1OC ZINC000266346141 391174612 /nfs/dbraw/zinc/17/46/12/391174612.db2.gz WJCSJRMZYKMDFK-UHFFFAOYSA-N 1 2 291.307 1.837 20 30 CDEDLO C=C(Cl)CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376353532 391224560 /nfs/dbraw/zinc/22/45/60/391224560.db2.gz RILFKUSAXOAJPN-NEPJUHHUSA-N 1 2 287.791 1.244 20 30 CDEDLO C=CCNC(=O)C[N@@H+](CC)CC(=O)N1CCCCCC1 ZINC000353166593 391247140 /nfs/dbraw/zinc/24/71/40/391247140.db2.gz CXUQJUCOBNVZJU-UHFFFAOYSA-N 1 2 281.400 1.013 20 30 CDEDLO C=CCNC(=O)C[N@H+](CC)CC(=O)N1CCCCCC1 ZINC000353166593 391247144 /nfs/dbraw/zinc/24/71/44/391247144.db2.gz CXUQJUCOBNVZJU-UHFFFAOYSA-N 1 2 281.400 1.013 20 30 CDEDLO C=C(C)[C@H](CC(=O)N(C)CC[NH+]1CCOCC1)OCC ZINC000339198434 391266187 /nfs/dbraw/zinc/26/61/87/391266187.db2.gz HHPBGFHZFIKCKI-AWEZNQCLSA-N 1 2 284.400 1.148 20 30 CDEDLO N#CCCOCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000339202774 391267180 /nfs/dbraw/zinc/26/71/80/391267180.db2.gz RCAINDJHNKKOOU-UHFFFAOYSA-N 1 2 291.307 1.719 20 30 CDEDLO N#CCCOCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000339202774 391267182 /nfs/dbraw/zinc/26/71/82/391267182.db2.gz RCAINDJHNKKOOU-UHFFFAOYSA-N 1 2 291.307 1.719 20 30 CDEDLO C=C(C)CN(C)C(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000339354260 391290069 /nfs/dbraw/zinc/29/00/69/391290069.db2.gz LGUVWYMOBPFPOL-LBPRGKRZSA-N 1 2 250.346 1.057 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000339461057 391304882 /nfs/dbraw/zinc/30/48/82/391304882.db2.gz ACECMUPQXKYCKK-CHWSQXEVSA-N 1 2 277.368 1.717 20 30 CDEDLO C=CC[C@H](C)NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000339535562 391312916 /nfs/dbraw/zinc/31/29/16/391312916.db2.gz JVKWERIKTKLUDY-RYUDHWBXSA-N 1 2 262.357 1.884 20 30 CDEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCCCC#N)C1 ZINC000345807759 391320404 /nfs/dbraw/zinc/32/04/04/391320404.db2.gz AVLMHDNXRKCSPL-ZDUSSCGKSA-N 1 2 289.383 1.688 20 30 CDEDLO CC[C@H](C(=O)N[C@H](C)CC#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000330462339 391426342 /nfs/dbraw/zinc/42/63/42/391426342.db2.gz TUUMKBYKIIDOJU-JHJVBQTASA-N 1 2 267.373 1.294 20 30 CDEDLO CC[C@H](C(=O)N[C@H](C)CC#N)[N@H+]1CCO[C@H](CC)C1 ZINC000330462339 391426346 /nfs/dbraw/zinc/42/63/46/391426346.db2.gz TUUMKBYKIIDOJU-JHJVBQTASA-N 1 2 267.373 1.294 20 30 CDEDLO Cc1[nH]ncc1CNC(=O)NCC[N@@H+](C)C(C)C ZINC000330464311 391426390 /nfs/dbraw/zinc/42/63/90/391426390.db2.gz DPIPAAOPNULUPT-UHFFFAOYSA-N 1 2 253.350 1.062 20 30 CDEDLO Cc1[nH]ncc1CNC(=O)NCC[N@H+](C)C(C)C ZINC000330464311 391426392 /nfs/dbraw/zinc/42/63/92/391426392.db2.gz DPIPAAOPNULUPT-UHFFFAOYSA-N 1 2 253.350 1.062 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)C1CC1 ZINC000328646424 391540003 /nfs/dbraw/zinc/54/00/03/391540003.db2.gz BBMJLHNUTKXTQS-JMSVASOKSA-N 1 2 290.367 1.686 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)C1CC1 ZINC000328646424 391540007 /nfs/dbraw/zinc/54/00/07/391540007.db2.gz BBMJLHNUTKXTQS-JMSVASOKSA-N 1 2 290.367 1.686 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090009368 391621580 /nfs/dbraw/zinc/62/15/80/391621580.db2.gz MLYVYULEGUKGLJ-UKRRQHHQSA-N 1 2 279.384 1.152 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000090009368 391621586 /nfs/dbraw/zinc/62/15/86/391621586.db2.gz MLYVYULEGUKGLJ-UKRRQHHQSA-N 1 2 279.384 1.152 20 30 CDEDLO CC#CCC[N@@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000360632273 391666835 /nfs/dbraw/zinc/66/68/35/391666835.db2.gz INADWSDBPUPINQ-UHFFFAOYSA-N 1 2 260.312 1.888 20 30 CDEDLO CC#CCC[N@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000360632273 391666837 /nfs/dbraw/zinc/66/68/37/391666837.db2.gz INADWSDBPUPINQ-UHFFFAOYSA-N 1 2 260.312 1.888 20 30 CDEDLO N#CCN1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000092936534 391713206 /nfs/dbraw/zinc/71/32/06/391713206.db2.gz MQAGDIFZRKLSDG-UHFFFAOYSA-N 1 2 299.353 1.653 20 30 CDEDLO CC[C@@]1(C)C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CCO1 ZINC000135584886 391732082 /nfs/dbraw/zinc/73/20/82/391732082.db2.gz YUBRACHTPWUMPB-GJZGRUSLSA-N 1 2 281.400 1.542 20 30 CDEDLO CC[C@@]1(C)C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CCO1 ZINC000135584886 391732087 /nfs/dbraw/zinc/73/20/87/391732087.db2.gz YUBRACHTPWUMPB-GJZGRUSLSA-N 1 2 281.400 1.542 20 30 CDEDLO CC(C)[N@H+](CC(=O)Nc1cccc(C#N)c1)C1COC1 ZINC000295583172 391754301 /nfs/dbraw/zinc/75/43/01/391754301.db2.gz ZOMXIVIYHRUMKC-UHFFFAOYSA-N 1 2 273.336 1.606 20 30 CDEDLO CC(C)[N@@H+](CC(=O)Nc1cccc(C#N)c1)C1COC1 ZINC000295583172 391754303 /nfs/dbraw/zinc/75/43/03/391754303.db2.gz ZOMXIVIYHRUMKC-UHFFFAOYSA-N 1 2 273.336 1.606 20 30 CDEDLO CC(C)[C@@H]1CCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329745015 391768189 /nfs/dbraw/zinc/76/81/89/391768189.db2.gz QYGSIDANHRMHAW-MFKMUULPSA-N 1 2 262.357 1.911 20 30 CDEDLO [O-]C(NCC1(C(F)F)CC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000329924457 391800806 /nfs/dbraw/zinc/80/08/06/391800806.db2.gz HQCUMNKFBJNOEG-SECBINFHSA-N 1 2 284.310 1.747 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]CC1(C(F)F)CC1 ZINC000329924457 391800809 /nfs/dbraw/zinc/80/08/09/391800809.db2.gz HQCUMNKFBJNOEG-SECBINFHSA-N 1 2 284.310 1.747 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000366794420 392076682 /nfs/dbraw/zinc/07/66/82/392076682.db2.gz VNLTWZYHZGYNCB-OLZOCXBDSA-N 1 2 265.357 1.002 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000366794420 392076689 /nfs/dbraw/zinc/07/66/89/392076689.db2.gz VNLTWZYHZGYNCB-OLZOCXBDSA-N 1 2 265.357 1.002 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000187959192 392040902 /nfs/dbraw/zinc/04/09/02/392040902.db2.gz ACLCKEFSWIFRKU-MRXNPFEDSA-N 1 2 298.427 1.442 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N(C)C(C)C)n1 ZINC000279698348 392216202 /nfs/dbraw/zinc/21/62/02/392216202.db2.gz IMHHPDYEPAXFIN-CQSZACIVSA-N 1 2 290.411 1.594 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N(C)C(C)C)n1 ZINC000279698348 392216207 /nfs/dbraw/zinc/21/62/07/392216207.db2.gz IMHHPDYEPAXFIN-CQSZACIVSA-N 1 2 290.411 1.594 20 30 CDEDLO CC[C@H](NC(=O)CNc1cccc(C#N)c1)c1[nH]cc[nH+]1 ZINC000442814538 392499660 /nfs/dbraw/zinc/49/96/60/392499660.db2.gz VGXMFHXJZQFUIL-ZDUSSCGKSA-N 1 2 283.335 1.961 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2cccc(C#N)n2)C1 ZINC000519640847 392847505 /nfs/dbraw/zinc/84/75/05/392847505.db2.gz FIMFQRNAKASPHD-LLVKDONJSA-N 1 2 296.334 1.708 20 30 CDEDLO COC(=O)[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268660848 132044556 /nfs/dbraw/zinc/04/45/56/132044556.db2.gz YKHWQAPAMVXOQD-HUUCEWRRSA-N 1 2 288.347 1.619 20 30 CDEDLO COC(=O)[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268660848 132044557 /nfs/dbraw/zinc/04/45/57/132044557.db2.gz YKHWQAPAMVXOQD-HUUCEWRRSA-N 1 2 288.347 1.619 20 30 CDEDLO CC#CC[C@H](CO)NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000649186225 392963893 /nfs/dbraw/zinc/96/38/93/392963893.db2.gz UTAQCPWHUQIGBP-CYBMUJFWSA-N 1 2 285.347 1.235 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000371823941 392980362 /nfs/dbraw/zinc/98/03/62/392980362.db2.gz TYZDDMBVMLKOKV-AWEZNQCLSA-N 1 2 275.327 1.214 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000371823941 392980367 /nfs/dbraw/zinc/98/03/67/392980367.db2.gz TYZDDMBVMLKOKV-AWEZNQCLSA-N 1 2 275.327 1.214 20 30 CDEDLO Cc1cc(NCc2nccn2C(F)F)c(C#N)c[nH+]1 ZINC000425215205 392995532 /nfs/dbraw/zinc/99/55/32/392995532.db2.gz MGJINATWKQNPFX-UHFFFAOYSA-N 1 2 263.251 1.887 20 30 CDEDLO COC(=O)[C@@H](O)C1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425241759 393002460 /nfs/dbraw/zinc/00/24/60/393002460.db2.gz QRKXPGGXWXBDLJ-AWEZNQCLSA-N 1 2 289.335 1.012 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)ccc1F ZINC000131811606 393208379 /nfs/dbraw/zinc/20/83/79/393208379.db2.gz VTBVQDKYWVZLII-GJZGRUSLSA-N 1 2 287.338 1.940 20 30 CDEDLO N#Cc1cc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)ccc1F ZINC000131811606 393208387 /nfs/dbraw/zinc/20/83/87/393208387.db2.gz VTBVQDKYWVZLII-GJZGRUSLSA-N 1 2 287.338 1.940 20 30 CDEDLO C=CCn1cc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)nn1 ZINC000648756616 393281126 /nfs/dbraw/zinc/28/11/26/393281126.db2.gz GBKNJOKFVDIPFL-LBPRGKRZSA-N 1 2 286.339 1.555 20 30 CDEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NC1CC1 ZINC000645993416 393456577 /nfs/dbraw/zinc/45/65/77/393456577.db2.gz YWIMNXPPYCMSPE-INIZCTEOSA-N 1 2 268.360 1.715 20 30 CDEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)NC1CC1 ZINC000645993416 393456579 /nfs/dbraw/zinc/45/65/79/393456579.db2.gz YWIMNXPPYCMSPE-INIZCTEOSA-N 1 2 268.360 1.715 20 30 CDEDLO C=CCC1(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)CCCC1 ZINC000664082279 413066457 /nfs/dbraw/zinc/06/64/57/413066457.db2.gz BSQGSSSVANTZOH-CQSZACIVSA-N 1 2 294.443 1.420 20 30 CDEDLO C=CCC1(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)CCCC1 ZINC000664082279 413066464 /nfs/dbraw/zinc/06/64/64/413066464.db2.gz BSQGSSSVANTZOH-CQSZACIVSA-N 1 2 294.443 1.420 20 30 CDEDLO N#CC1(C(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000083794922 135030538 /nfs/dbraw/zinc/03/05/38/135030538.db2.gz LEGNIHLASHYARI-UHFFFAOYSA-N 1 2 270.336 1.424 20 30 CDEDLO COc1cc(C[NH2+][C@@H](C)c2nncn2C)ccc1C#N ZINC000234939919 140232847 /nfs/dbraw/zinc/23/28/47/140232847.db2.gz WJWFQZHDGHUBTP-JTQLQIEISA-N 1 2 271.324 1.546 20 30 CDEDLO C=CCNC(=O)C[N@@H+](Cc1cnn(CC)c1)C(C)C ZINC000649811949 397972395 /nfs/dbraw/zinc/97/23/95/397972395.db2.gz DUNDZFBEHMGHBF-UHFFFAOYSA-N 1 2 264.373 1.416 20 30 CDEDLO C=CCNC(=O)C[N@H+](Cc1cnn(CC)c1)C(C)C ZINC000649811949 397972400 /nfs/dbraw/zinc/97/24/00/397972400.db2.gz DUNDZFBEHMGHBF-UHFFFAOYSA-N 1 2 264.373 1.416 20 30 CDEDLO C[C@H]1C(=O)NCCC[N@H+]1Cc1cccc(C#N)c1F ZINC000335781765 151014445 /nfs/dbraw/zinc/01/44/45/151014445.db2.gz MSWNUNBQSQSAHE-JTQLQIEISA-N 1 2 261.300 1.408 20 30 CDEDLO C[C@H]1C(=O)NCCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000335781765 151014447 /nfs/dbraw/zinc/01/44/47/151014447.db2.gz MSWNUNBQSQSAHE-JTQLQIEISA-N 1 2 261.300 1.408 20 30 CDEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)s2)C[C@H](C)[N@H+]1C ZINC000335981813 151171849 /nfs/dbraw/zinc/17/18/49/151171849.db2.gz DLABXRBLMGMVIG-AOOOYVTPSA-N 1 2 263.366 1.784 20 30 CDEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)s2)C[C@H](C)[N@@H+]1C ZINC000335981813 151171851 /nfs/dbraw/zinc/17/18/51/151171851.db2.gz DLABXRBLMGMVIG-AOOOYVTPSA-N 1 2 263.366 1.784 20 30 CDEDLO N#Cc1ccc(OCC[N@@H+]2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000363811114 159341980 /nfs/dbraw/zinc/34/19/80/159341980.db2.gz DONXXYPGOQKIDL-CYBMUJFWSA-N 1 2 287.319 1.073 20 30 CDEDLO N#Cc1ccc(OCC[N@H+]2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000363811114 159341983 /nfs/dbraw/zinc/34/19/83/159341983.db2.gz DONXXYPGOQKIDL-CYBMUJFWSA-N 1 2 287.319 1.073 20 30 CDEDLO Cc1nc(C(=O)NC[C@H]2CCCn3cc[nH+]c32)ccc1C#N ZINC000374397894 160282748 /nfs/dbraw/zinc/28/27/48/160282748.db2.gz GAVPVFQSPGCFTI-CYBMUJFWSA-N 1 2 295.346 1.766 20 30 CDEDLO N#Cc1cccc(S(=O)(=O)NCCCn2cc[nH+]c2)c1 ZINC000020301881 171139472 /nfs/dbraw/zinc/13/94/72/171139472.db2.gz POYRRPAKDMDSHK-UHFFFAOYSA-N 1 2 290.348 1.123 20 30 CDEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCC[N@H+]1C ZINC000663217976 414055985 /nfs/dbraw/zinc/05/59/85/414055985.db2.gz PFQOXYCJAXIFCQ-XQQFMLRXSA-N 1 2 250.342 1.027 20 30 CDEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCC[N@@H+]1C ZINC000663217976 414055992 /nfs/dbraw/zinc/05/59/92/414055992.db2.gz PFQOXYCJAXIFCQ-XQQFMLRXSA-N 1 2 250.342 1.027 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@H](C)C1 ZINC000077248178 177239507 /nfs/dbraw/zinc/23/95/07/177239507.db2.gz ZREJGSIZUUJEEM-GFCCVEGCSA-N 1 2 276.336 1.666 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@H](C)C1 ZINC000077248178 177239508 /nfs/dbraw/zinc/23/95/08/177239508.db2.gz ZREJGSIZUUJEEM-GFCCVEGCSA-N 1 2 276.336 1.666 20 30 CDEDLO C[C@H](CNC(=O)N[C@H]1CCCSC1)[NH+]1CCOCC1 ZINC000330135650 228047026 /nfs/dbraw/zinc/04/70/26/228047026.db2.gz SSSYICYKFAMDJF-NEPJUHHUSA-N 1 2 287.429 1.106 20 30 CDEDLO C#CCNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000189375136 260212983 /nfs/dbraw/zinc/21/29/83/260212983.db2.gz LIDIIEBURZIMRH-UHFFFAOYSA-N 1 2 291.782 1.631 20 30 CDEDLO C#CCNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000189375136 260212984 /nfs/dbraw/zinc/21/29/84/260212984.db2.gz LIDIIEBURZIMRH-UHFFFAOYSA-N 1 2 291.782 1.631 20 30 CDEDLO C=C(C)CN(C)C(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000410447758 260528464 /nfs/dbraw/zinc/52/84/64/260528464.db2.gz MSVNSLGXBKSNOQ-GFCCVEGCSA-N 1 2 290.367 1.498 20 30 CDEDLO N#CCOc1ccc(CC(=O)NCCn2cc[nH+]c2)cc1 ZINC000110176303 260647370 /nfs/dbraw/zinc/64/73/70/260647370.db2.gz UFIIOTISOUHAGH-UHFFFAOYSA-N 1 2 284.319 1.144 20 30 CDEDLO CCc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)o1 ZINC000154761795 261094566 /nfs/dbraw/zinc/09/45/66/261094566.db2.gz CPJZHMXLKSBEMK-UHFFFAOYSA-N 1 2 291.395 1.890 20 30 CDEDLO C#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)C(C)C ZINC000490635900 261175143 /nfs/dbraw/zinc/17/51/43/261175143.db2.gz JYFCRUFLWZZVQY-LLVKDONJSA-N 1 2 269.308 1.050 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@](C)(CC)C1 ZINC000248971999 261227499 /nfs/dbraw/zinc/22/74/99/261227499.db2.gz SXAOAOJZNQNVAQ-UKRRQHHQSA-N 1 2 281.400 1.495 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@](C)(CC)C1 ZINC000248971999 261227500 /nfs/dbraw/zinc/22/75/00/261227500.db2.gz SXAOAOJZNQNVAQ-UKRRQHHQSA-N 1 2 281.400 1.495 20 30 CDEDLO N#CCSc1cccc(C(=O)NCCn2cc[nH+]c2)c1 ZINC000175535110 261231741 /nfs/dbraw/zinc/23/17/41/261231741.db2.gz FAABGVUPNXXPRB-UHFFFAOYSA-N 1 2 286.360 1.929 20 30 CDEDLO C=CC[N@@H+](CCSCC)[C@H]1CCS(=O)(=O)C1 ZINC000336685669 262379154 /nfs/dbraw/zinc/37/91/54/262379154.db2.gz VLYHNWHSSYDXFN-NSHDSACASA-N 1 2 263.428 1.415 20 30 CDEDLO C=CC[N@H+](CCSCC)[C@H]1CCS(=O)(=O)C1 ZINC000336685669 262379155 /nfs/dbraw/zinc/37/91/55/262379155.db2.gz VLYHNWHSSYDXFN-NSHDSACASA-N 1 2 263.428 1.415 20 30 CDEDLO CC(C)(C#N)CC[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000272068272 263001918 /nfs/dbraw/zinc/00/19/18/263001918.db2.gz YJVZJYVOBXTESF-UHFFFAOYSA-N 1 2 286.379 1.779 20 30 CDEDLO N#CCCCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000273454157 263016974 /nfs/dbraw/zinc/01/69/74/263016974.db2.gz DAFGNFRWZNJVCN-LBPRGKRZSA-N 1 2 273.340 1.263 20 30 CDEDLO CCOc1ccc(C[NH+]2CCN(CC#N)CC2)cc1F ZINC000278481346 263048431 /nfs/dbraw/zinc/04/84/31/263048431.db2.gz RYWKYQIBZGHUAO-UHFFFAOYSA-N 1 2 277.343 1.866 20 30 CDEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)C1 ZINC000278658658 263049477 /nfs/dbraw/zinc/04/94/77/263049477.db2.gz QHTZTFLSGFFVGX-ZFWWWQNUSA-N 1 2 299.374 1.842 20 30 CDEDLO NC(=[NH+]OCCc1ccccc1F)[C@H]1CCCO1 ZINC000284401362 263086679 /nfs/dbraw/zinc/08/66/79/263086679.db2.gz MZZDZUMKTVNXKT-GFCCVEGCSA-N 1 2 252.289 1.836 20 30 CDEDLO NC(=[NH+]OCC(=O)Nc1ccc(F)cc1F)[C@@H]1CCCO1 ZINC000284418558 263086759 /nfs/dbraw/zinc/08/67/59/263086759.db2.gz OBNSXSOVUNXCPU-NSHDSACASA-N 1 2 299.277 1.371 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)O[NH+]=C(N)[C@@H]1CCCO1 ZINC000284591553 263087531 /nfs/dbraw/zinc/08/75/31/263087531.db2.gz XZJWEFFWBCXURB-RYUDHWBXSA-N 1 2 283.372 1.267 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)O[NH+]=C(N)[C@H]1CCCO1 ZINC000284591551 263087541 /nfs/dbraw/zinc/08/75/41/263087541.db2.gz XZJWEFFWBCXURB-NWDGAFQWSA-N 1 2 283.372 1.267 20 30 CDEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COc1ccc(F)cc1 ZINC000292102853 263128445 /nfs/dbraw/zinc/12/84/45/263128445.db2.gz GPCGTKLATMTQSX-CQSZACIVSA-N 1 2 278.327 1.967 20 30 CDEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COc1ccc(F)cc1 ZINC000292102853 263128446 /nfs/dbraw/zinc/12/84/46/263128446.db2.gz GPCGTKLATMTQSX-CQSZACIVSA-N 1 2 278.327 1.967 20 30 CDEDLO C[C@@H](CNC(=O)COc1ccsc1)[NH+]1CCOCC1 ZINC000328646653 263831454 /nfs/dbraw/zinc/83/14/54/263831454.db2.gz GYUAKEMUWHPJDO-NSHDSACASA-N 1 2 284.381 1.804 20 30 CDEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000330631780 264000090 /nfs/dbraw/zinc/00/00/90/264000090.db2.gz GNLNNQNVKKTUDT-NFAWXSAZSA-N 1 2 281.400 1.540 20 30 CDEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000330631780 264000091 /nfs/dbraw/zinc/00/00/91/264000091.db2.gz GNLNNQNVKKTUDT-NFAWXSAZSA-N 1 2 281.400 1.540 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000330678400 264015510 /nfs/dbraw/zinc/01/55/10/264015510.db2.gz CFQAHVXSLJLJGK-UHFFFAOYSA-N 1 2 295.427 1.258 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000330678400 264015511 /nfs/dbraw/zinc/01/55/11/264015511.db2.gz CFQAHVXSLJLJGK-UHFFFAOYSA-N 1 2 295.427 1.258 20 30 CDEDLO CN(C(=O)C[NH2+][C@@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000330808888 264044032 /nfs/dbraw/zinc/04/40/32/264044032.db2.gz DHTSEYBSDSJWJQ-GXTWGEPZSA-N 1 2 257.337 1.931 20 30 CDEDLO CCN1CCN(C(=O)CCCC#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000330879767 264061356 /nfs/dbraw/zinc/06/13/56/264061356.db2.gz AXVVUEMNPDCJOX-LBPRGKRZSA-N 1 2 275.356 1.309 20 30 CDEDLO C=C[C@@H](C)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000330929906 264095230 /nfs/dbraw/zinc/09/52/30/264095230.db2.gz ODPKTEVBLHDZBP-LLVKDONJSA-N 1 2 255.362 1.175 20 30 CDEDLO Cc1cc(C)c(NC(=O)NC[C@]2(O)CCOC2)c(C)[nH+]1 ZINC000331231197 264152737 /nfs/dbraw/zinc/15/27/37/264152737.db2.gz HZSWGWLBVCGNAN-CQSZACIVSA-N 1 2 279.340 1.484 20 30 CDEDLO Cc1cc(C)c(NC(=O)NC[C@H]2COCCO2)c(C)[nH+]1 ZINC000331346768 264205743 /nfs/dbraw/zinc/20/57/43/264205743.db2.gz WHHHEEWDBKTLND-LBPRGKRZSA-N 1 2 279.340 1.748 20 30 CDEDLO C=CCCn1cc(C(=O)N[C@H](C)c2[nH+]ccn2CC)nn1 ZINC000424869886 264257690 /nfs/dbraw/zinc/25/76/90/264257690.db2.gz KJARMKDTXUXYBD-LLVKDONJSA-N 1 2 288.355 1.562 20 30 CDEDLO Cc1nc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)nn1C ZINC000329275225 264298396 /nfs/dbraw/zinc/29/83/96/264298396.db2.gz KSMSQHOCBNNLBK-VIFPVBQESA-N 1 2 260.301 1.171 20 30 CDEDLO N#CCC1(O)C[NH+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000189540859 264306683 /nfs/dbraw/zinc/30/66/83/264306683.db2.gz UYEPSYKXIMHOEU-UHFFFAOYSA-N 1 2 268.320 1.333 20 30 CDEDLO COC(=O)[C@](C)([NH2+]CCOc1ccccc1C#N)C1CC1 ZINC000534315369 269985076 /nfs/dbraw/zinc/98/50/76/269985076.db2.gz USILMMFKJLIZCF-MRXNPFEDSA-N 1 2 288.347 1.868 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)c1cccc(CC#N)c1 ZINC000343291576 264374352 /nfs/dbraw/zinc/37/43/52/264374352.db2.gz BCEFHPBRZFUICZ-UHFFFAOYSA-N 1 2 254.293 1.416 20 30 CDEDLO C=CCCn1cc(C[N@H+](CC)C[C@@H]2CCCO2)nn1 ZINC000653525568 424242644 /nfs/dbraw/zinc/24/26/44/424242644.db2.gz YVVWSIQPGKFINO-AWEZNQCLSA-N 1 2 264.373 1.855 20 30 CDEDLO C=CCCn1cc(C[N@@H+](CC)C[C@@H]2CCCO2)nn1 ZINC000653525568 424242647 /nfs/dbraw/zinc/24/26/47/424242647.db2.gz YVVWSIQPGKFINO-AWEZNQCLSA-N 1 2 264.373 1.855 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCCOC[C@@H]2C)nn1 ZINC000653587276 424313182 /nfs/dbraw/zinc/31/31/82/424313182.db2.gz XHXDIGNYJKRYCY-LBPRGKRZSA-N 1 2 250.346 1.465 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCCOC[C@@H]2C)nn1 ZINC000653587276 424313186 /nfs/dbraw/zinc/31/31/86/424313186.db2.gz XHXDIGNYJKRYCY-LBPRGKRZSA-N 1 2 250.346 1.465 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCOCC3(CCC3)C2)nn1 ZINC000653617725 424345649 /nfs/dbraw/zinc/34/56/49/424345649.db2.gz XZSMFLCENUBAEH-UHFFFAOYSA-N 1 2 276.384 1.857 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCOCC3(CCC3)C2)nn1 ZINC000653617725 424345651 /nfs/dbraw/zinc/34/56/51/424345651.db2.gz XZSMFLCENUBAEH-UHFFFAOYSA-N 1 2 276.384 1.857 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](n3cc(C)cn3)C2)nn1 ZINC000653685344 424427980 /nfs/dbraw/zinc/42/79/80/424427980.db2.gz YVAJGEYYQMACJM-OAHLLOKOSA-N 1 2 286.383 1.806 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)nn1 ZINC000653685344 424427986 /nfs/dbraw/zinc/42/79/86/424427986.db2.gz YVAJGEYYQMACJM-OAHLLOKOSA-N 1 2 286.383 1.806 20 30 CDEDLO C=CCOc1ccc(C[N@@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000123392575 268041297 /nfs/dbraw/zinc/04/12/97/268041297.db2.gz FKTCFFDSYCJJJX-GFCCVEGCSA-N 1 2 260.337 1.572 20 30 CDEDLO C=CCOc1ccc(C[N@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000123392575 268041299 /nfs/dbraw/zinc/04/12/99/268041299.db2.gz FKTCFFDSYCJJJX-GFCCVEGCSA-N 1 2 260.337 1.572 20 30 CDEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCN1CCNC1=O ZINC000377275317 268063053 /nfs/dbraw/zinc/06/30/53/268063053.db2.gz HXROJGZZOIXZMV-JKSUJKDBSA-N 1 2 298.390 1.783 20 30 CDEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCN1CCNC1=O ZINC000377275317 268063056 /nfs/dbraw/zinc/06/30/56/268063056.db2.gz HXROJGZZOIXZMV-JKSUJKDBSA-N 1 2 298.390 1.783 20 30 CDEDLO CC#CCNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296470040 276931790 /nfs/dbraw/zinc/93/17/90/276931790.db2.gz LNHLYGJDSINZCR-NSHDSACASA-N 1 2 260.341 1.536 20 30 CDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(C#N)cc1 ZINC000285682568 277974920 /nfs/dbraw/zinc/97/49/20/277974920.db2.gz GJZKVGDPPCDMAV-CZUORRHYSA-N 1 2 299.374 1.493 20 30 CDEDLO N#Cc1cccc(/C=C/C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000135488071 279819390 /nfs/dbraw/zinc/81/93/90/279819390.db2.gz SRTHHHRNPAXZGA-SNAWJCMRSA-N 1 2 266.304 1.653 20 30 CDEDLO Cc1nc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)ccc1C#N ZINC000333716332 280182218 /nfs/dbraw/zinc/18/22/18/280182218.db2.gz QOGVLPJMFXWWGG-SKDRFNHKSA-N 1 2 253.309 1.998 20 30 CDEDLO Cc1ccnc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1C#N ZINC000376209824 292781371 /nfs/dbraw/zinc/78/13/71/292781371.db2.gz XFZYZGWZRVLUHF-KGLIPLIRSA-N 1 2 286.379 1.561 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000551885722 290022145 /nfs/dbraw/zinc/02/21/45/290022145.db2.gz VXEBYQFMLBHCDH-LBPRGKRZSA-N 1 2 281.319 1.203 20 30 CDEDLO CNc1ccc(C#N)cc1NC(=O)Cc1c[nH+]cn1C ZINC000552576623 290076333 /nfs/dbraw/zinc/07/63/33/290076333.db2.gz HSGKMTRJXJWCRX-UHFFFAOYSA-N 1 2 269.308 1.515 20 30 CDEDLO Cc1[nH]c(=O)ccc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330312170 293348208 /nfs/dbraw/zinc/34/82/08/293348208.db2.gz OCAANTRUZNHWJD-SNVBAGLBSA-N 1 2 272.308 1.612 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCOC2(CCC2)C1 ZINC000330179360 295385190 /nfs/dbraw/zinc/38/51/90/295385190.db2.gz FIFSWFWZYMGBBU-GFCCVEGCSA-N 1 2 290.367 1.367 20 30 CDEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)NC2CC2)CC1 ZINC000369207577 327935310 /nfs/dbraw/zinc/93/53/10/327935310.db2.gz QBDOZSYQMCYNRP-UHFFFAOYSA-N 1 2 284.363 1.217 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)C[C@]2(CCCOC2)O1 ZINC000577526631 317350111 /nfs/dbraw/zinc/35/01/11/317350111.db2.gz GNIBKQSHLPZPII-CJNGLKHVSA-N 1 2 287.363 1.723 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)C[C@]2(CCCOC2)O1 ZINC000577526631 317350114 /nfs/dbraw/zinc/35/01/14/317350114.db2.gz GNIBKQSHLPZPII-CJNGLKHVSA-N 1 2 287.363 1.723 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413519605 328147797 /nfs/dbraw/zinc/14/77/97/328147797.db2.gz SGRBHWKRMNZGOM-ZDUSSCGKSA-N 1 2 283.416 1.751 20 30 CDEDLO N#CCC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000273977333 328207459 /nfs/dbraw/zinc/20/74/59/328207459.db2.gz HHRUAOSADHLAEU-UHFFFAOYSA-N 1 2 273.336 1.123 20 30 CDEDLO C[N@@H+]1CCc2nc(NC(=O)CCCC#N)sc2C1 ZINC000290971927 328261366 /nfs/dbraw/zinc/26/13/66/328261366.db2.gz OVFMJEWUBLODGP-UHFFFAOYSA-N 1 2 264.354 1.763 20 30 CDEDLO C[N@H+]1CCc2nc(NC(=O)CCCC#N)sc2C1 ZINC000290971927 328261367 /nfs/dbraw/zinc/26/13/67/328261367.db2.gz OVFMJEWUBLODGP-UHFFFAOYSA-N 1 2 264.354 1.763 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@]23CCNC3=O)c1F ZINC000579137782 324116978 /nfs/dbraw/zinc/11/69/78/324116978.db2.gz ITAPTTUGIJLASR-OAHLLOKOSA-N 1 2 273.311 1.552 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCC[C@]23CCNC3=O)c1F ZINC000579137782 324116980 /nfs/dbraw/zinc/11/69/80/324116980.db2.gz ITAPTTUGIJLASR-OAHLLOKOSA-N 1 2 273.311 1.552 20 30 CDEDLO CCNC(=O)c1cccc(C[NH2+]C[C@@H](C#N)CCC#N)c1 ZINC000571669406 328511462 /nfs/dbraw/zinc/51/14/62/328511462.db2.gz KVSKVEQMGCAQHW-CQSZACIVSA-N 1 2 284.363 1.969 20 30 CDEDLO CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000583779285 325238841 /nfs/dbraw/zinc/23/88/41/325238841.db2.gz LPSZAIXULCISKI-HNNXBMFYSA-N 1 2 272.352 1.444 20 30 CDEDLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000583779285 325238845 /nfs/dbraw/zinc/23/88/45/325238845.db2.gz LPSZAIXULCISKI-HNNXBMFYSA-N 1 2 272.352 1.444 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000564733857 327457619 /nfs/dbraw/zinc/45/76/19/327457619.db2.gz APNWQLTXTAPFAS-LLVKDONJSA-N 1 2 291.399 1.938 20 30 CDEDLO C=CCCCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000175071610 329162898 /nfs/dbraw/zinc/16/28/98/329162898.db2.gz NPIKVVBAESNNEY-UHFFFAOYSA-N 1 2 254.374 1.570 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccc(N(C)CC)nc2)nn1 ZINC000424173914 330313756 /nfs/dbraw/zinc/31/37/56/330313756.db2.gz QKZODKGTTSURKY-UHFFFAOYSA-N 1 2 286.383 1.605 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1cnn(CC)c1 ZINC000533281235 330356398 /nfs/dbraw/zinc/35/63/98/330356398.db2.gz LSXJXYRMHVTOBK-NSHDSACASA-N 1 2 250.346 1.026 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1cnn(CC)c1 ZINC000533281235 330356399 /nfs/dbraw/zinc/35/63/99/330356399.db2.gz LSXJXYRMHVTOBK-NSHDSACASA-N 1 2 250.346 1.026 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000580501147 330356514 /nfs/dbraw/zinc/35/65/14/330356514.db2.gz QCKZSICRNNMKTO-RDJZCZTQSA-N 1 2 299.374 1.953 20 30 CDEDLO C#CC[N@@H+](CCC1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000119072960 330369832 /nfs/dbraw/zinc/36/98/32/330369832.db2.gz BNLWAZXJAVCMDX-AWEZNQCLSA-N 1 2 269.410 1.689 20 30 CDEDLO C#CC[N@H+](CCC1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000119072960 330369833 /nfs/dbraw/zinc/36/98/33/330369833.db2.gz BNLWAZXJAVCMDX-AWEZNQCLSA-N 1 2 269.410 1.689 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000121260251 330398680 /nfs/dbraw/zinc/39/86/80/330398680.db2.gz ALIZKJBOADSSTB-UHFFFAOYSA-N 1 2 263.297 1.960 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000121260251 330398681 /nfs/dbraw/zinc/39/86/81/330398681.db2.gz ALIZKJBOADSSTB-UHFFFAOYSA-N 1 2 263.297 1.960 20 30 CDEDLO C=C(C)CCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000452716736 331073040 /nfs/dbraw/zinc/07/30/40/331073040.db2.gz JAAJBMMXLBDKCV-AWEZNQCLSA-N 1 2 266.385 1.570 20 30 CDEDLO C=C(C)CCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000452716736 331073041 /nfs/dbraw/zinc/07/30/41/331073041.db2.gz JAAJBMMXLBDKCV-AWEZNQCLSA-N 1 2 266.385 1.570 20 30 CDEDLO C=C(C)CCNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000454554250 331148714 /nfs/dbraw/zinc/14/87/14/331148714.db2.gz WJICMRZQEDHPOO-OLZOCXBDSA-N 1 2 269.389 1.361 20 30 CDEDLO C=CCSCCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000488488700 332013329 /nfs/dbraw/zinc/01/33/29/332013329.db2.gz PAHZNYFZJAHRFG-NSHDSACASA-N 1 2 280.397 1.416 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000490740283 332110977 /nfs/dbraw/zinc/11/09/77/332110977.db2.gz NSUWSKGSMBMJGV-JTQLQIEISA-N 1 2 255.321 1.975 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CSCC(C)C)CC1 ZINC000490800315 332116370 /nfs/dbraw/zinc/11/63/70/332116370.db2.gz PPCNOZMPLGKQEO-UHFFFAOYSA-N 1 2 254.399 1.153 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000490865840 332122075 /nfs/dbraw/zinc/12/20/75/332122075.db2.gz IWAOLBIFXIIVMW-UHFFFAOYSA-N 1 2 276.336 1.556 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000490865840 332122077 /nfs/dbraw/zinc/12/20/77/332122077.db2.gz IWAOLBIFXIIVMW-UHFFFAOYSA-N 1 2 276.336 1.556 20 30 CDEDLO C#CC[N@@H+](Cc1nc(COC)no1)C1CCCCC1 ZINC000490917914 332128223 /nfs/dbraw/zinc/12/82/23/332128223.db2.gz ZTTXELNVXHISKZ-UHFFFAOYSA-N 1 2 263.341 1.984 20 30 CDEDLO C#CC[N@H+](Cc1nc(COC)no1)C1CCCCC1 ZINC000490917914 332128225 /nfs/dbraw/zinc/12/82/25/332128225.db2.gz ZTTXELNVXHISKZ-UHFFFAOYSA-N 1 2 263.341 1.984 20 30 CDEDLO C#C[C@@H](CC)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000491232152 332171400 /nfs/dbraw/zinc/17/14/00/332171400.db2.gz YTKWTPDXYNEQNC-ZDUSSCGKSA-N 1 2 286.379 1.761 20 30 CDEDLO C#C[C@@H](NC(=O)NCc1c[nH+]ccc1OC)C(C)C ZINC000491285189 332180810 /nfs/dbraw/zinc/18/08/10/332180810.db2.gz BUGLKZNIGOEXAZ-GFCCVEGCSA-N 1 2 261.325 1.547 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCN1CCc2ccccc21 ZINC000491295279 332183545 /nfs/dbraw/zinc/18/35/45/332183545.db2.gz GIHSWHZVFWQSPA-HNNXBMFYSA-N 1 2 256.349 1.383 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCN1CCc2ccccc21 ZINC000491295279 332183546 /nfs/dbraw/zinc/18/35/46/332183546.db2.gz GIHSWHZVFWQSPA-HNNXBMFYSA-N 1 2 256.349 1.383 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)NC(C(C)C)(C(C)C)C1=O ZINC000491326165 332190317 /nfs/dbraw/zinc/19/03/17/332190317.db2.gz KQISWMKCZUPBRZ-LBPRGKRZSA-N 1 2 279.384 1.500 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)NC(C(C)C)(C(C)C)C1=O ZINC000491326165 332190319 /nfs/dbraw/zinc/19/03/19/332190319.db2.gz KQISWMKCZUPBRZ-LBPRGKRZSA-N 1 2 279.384 1.500 20 30 CDEDLO C#C[C@H](NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC000491396023 332204596 /nfs/dbraw/zinc/20/45/96/332204596.db2.gz WHMOLGYSXZMLNG-KGLIPLIRSA-N 1 2 281.400 1.006 20 30 CDEDLO C#CCN(CC)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000491441457 332212450 /nfs/dbraw/zinc/21/24/50/332212450.db2.gz VWAIZCKJRWVTPF-UHFFFAOYSA-N 1 2 273.336 1.427 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@@]2(C1=O)[C@H](C)CCC[C@@H]2C ZINC000491566850 332239168 /nfs/dbraw/zinc/23/91/68/332239168.db2.gz IEGMTZLVBFQBSG-RSUWNVLCSA-N 1 2 291.395 1.644 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@@]2(C1=O)[C@H](C)CCC[C@@H]2C ZINC000491566850 332239169 /nfs/dbraw/zinc/23/91/69/332239169.db2.gz IEGMTZLVBFQBSG-RSUWNVLCSA-N 1 2 291.395 1.644 20 30 CDEDLO C#CCN(CC#CC)C(=O)NCc1c[nH+]ccc1OC ZINC000491673508 332279838 /nfs/dbraw/zinc/27/98/38/332279838.db2.gz ZWNBBYBAEVDPBE-UHFFFAOYSA-N 1 2 271.320 1.258 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](O)CCc1ccccc1 ZINC000491806254 332359661 /nfs/dbraw/zinc/35/96/61/332359661.db2.gz QVMYWGHCCMAETE-CVEARBPZSA-N 1 2 259.349 1.314 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](O)CCc1ccccc1 ZINC000491806254 332359662 /nfs/dbraw/zinc/35/96/62/332359662.db2.gz QVMYWGHCCMAETE-CVEARBPZSA-N 1 2 259.349 1.314 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCOC[C@@H]2C2CCC2)CCC1 ZINC000521621161 333180298 /nfs/dbraw/zinc/18/02/98/333180298.db2.gz WIZJUCMMROHHKA-CYBMUJFWSA-N 1 2 277.368 1.050 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCOC[C@@H]2C2CCC2)CCC1 ZINC000521621161 333180299 /nfs/dbraw/zinc/18/02/99/333180299.db2.gz WIZJUCMMROHHKA-CYBMUJFWSA-N 1 2 277.368 1.050 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000250042191 333301666 /nfs/dbraw/zinc/30/16/66/333301666.db2.gz FKQLNCNKNIFBEO-IUODEOHRSA-N 1 2 281.400 1.540 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000250042191 333301664 /nfs/dbraw/zinc/30/16/64/333301664.db2.gz FKQLNCNKNIFBEO-IUODEOHRSA-N 1 2 281.400 1.540 20 30 CDEDLO N#CCC1CC[NH+]([C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000541020056 333759356 /nfs/dbraw/zinc/75/93/56/333759356.db2.gz IDGQVYNHZUDHRT-CQSZACIVSA-N 1 2 275.327 1.978 20 30 CDEDLO CCc1nocc1C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000549960879 334210405 /nfs/dbraw/zinc/21/04/05/334210405.db2.gz CLMWBBHRFBXLII-LLVKDONJSA-N 1 2 290.367 1.620 20 30 CDEDLO CCc1nocc1C[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000549960879 334210406 /nfs/dbraw/zinc/21/04/06/334210406.db2.gz CLMWBBHRFBXLII-LLVKDONJSA-N 1 2 290.367 1.620 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)CCS1 ZINC000246132889 334235468 /nfs/dbraw/zinc/23/54/68/334235468.db2.gz MSQYKFODJIAMIX-ZWNOBZJWSA-N 1 2 267.398 1.232 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CCS1 ZINC000246132889 334235470 /nfs/dbraw/zinc/23/54/70/334235470.db2.gz MSQYKFODJIAMIX-ZWNOBZJWSA-N 1 2 267.398 1.232 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1nccs1 ZINC000577757086 335398017 /nfs/dbraw/zinc/39/80/17/335398017.db2.gz KCOIOJCQJJJNGR-LBPRGKRZSA-N 1 2 266.370 1.036 20 30 CDEDLO N#CCC[NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000581483861 336087206 /nfs/dbraw/zinc/08/72/06/336087206.db2.gz KIBTZZQJEZTTOU-VIFPVBQESA-N 1 2 265.263 1.573 20 30 CDEDLO N#Cc1ccc(OC[C@H](O)C[NH2+]CC(F)F)cc1 ZINC000136594041 1175829886 /nfs/dbraw/zinc/82/98/86/1175829886.db2.gz TVEWLYUNLZUWAZ-SNVBAGLBSA-N 1 2 256.252 1.153 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C(C)C)C1 ZINC001149173740 1159564511 /nfs/dbraw/zinc/56/45/11/1159564511.db2.gz AEJQEZFSUURMBI-LBPRGKRZSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C(C)C)C1 ZINC001149173740 1159564516 /nfs/dbraw/zinc/56/45/16/1159564516.db2.gz AEJQEZFSUURMBI-LBPRGKRZSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC001027781140 1159726369 /nfs/dbraw/zinc/72/63/69/1159726369.db2.gz FFBBTWOESNSRAQ-NWDGAFQWSA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC001027781140 1159726375 /nfs/dbraw/zinc/72/63/75/1159726375.db2.gz FFBBTWOESNSRAQ-NWDGAFQWSA-N 1 2 272.776 1.356 20 30 CDEDLO N#Cc1cnc(N(C(N)=[NH2+])c2ccc(F)cc2)nc1 ZINC001167989849 1160164107 /nfs/dbraw/zinc/16/41/07/1160164107.db2.gz GPMKAZIOMVFIKY-UHFFFAOYSA-N 1 2 256.244 1.519 20 30 CDEDLO C=CCCOCC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000677060242 482463412 /nfs/dbraw/zinc/46/34/12/482463412.db2.gz WCMYQNOCHJFSJL-ZDUSSCGKSA-N 1 2 275.352 1.369 20 30 CDEDLO CCC#C[C@H](C)[NH+]1CCN(CC(=O)N(CC)CC)CC1 ZINC000677046608 482518565 /nfs/dbraw/zinc/51/85/65/482518565.db2.gz CAYWSIZCQVUABT-HNNXBMFYSA-N 1 2 279.428 1.274 20 30 CDEDLO CCC#C[C@H](C)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000677046608 482518571 /nfs/dbraw/zinc/51/85/71/482518571.db2.gz CAYWSIZCQVUABT-HNNXBMFYSA-N 1 2 279.428 1.274 20 30 CDEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000678714859 483147191 /nfs/dbraw/zinc/14/71/91/483147191.db2.gz UTAVEUGMMLBALZ-CYBMUJFWSA-N 1 2 287.363 1.347 20 30 CDEDLO C=C[C@](C)(O)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000667577765 483338911 /nfs/dbraw/zinc/33/89/11/483338911.db2.gz XVWSTWDXKIBZBU-HNNXBMFYSA-N 1 2 278.352 1.602 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000676116853 483420390 /nfs/dbraw/zinc/42/03/90/483420390.db2.gz HURVMWCFWHHJDR-ZDUSSCGKSA-N 1 2 277.368 1.982 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000676116853 483420391 /nfs/dbraw/zinc/42/03/91/483420391.db2.gz HURVMWCFWHHJDR-ZDUSSCGKSA-N 1 2 277.368 1.982 20 30 CDEDLO Cc1cccn2c(CN3CCOC[C@@H]3C#N)c[nH+]c12 ZINC000093456690 1160603147 /nfs/dbraw/zinc/60/31/47/1160603147.db2.gz CGDRVPVQFBKHCH-LBPRGKRZSA-N 1 2 256.309 1.367 20 30 CDEDLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000921414784 1161230282 /nfs/dbraw/zinc/23/02/82/1161230282.db2.gz WYGLYNGDCFKONM-NSHDSACASA-N 1 2 299.783 1.194 20 30 CDEDLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000921414784 1161230286 /nfs/dbraw/zinc/23/02/86/1161230286.db2.gz WYGLYNGDCFKONM-NSHDSACASA-N 1 2 299.783 1.194 20 30 CDEDLO C=CCC[N@@H+](C)CN1C(=O)c2ccc(F)cc2C1=O ZINC000786102829 1162043364 /nfs/dbraw/zinc/04/33/64/1162043364.db2.gz WNXGYZLYOMWOMI-UHFFFAOYSA-N 1 2 262.284 1.887 20 30 CDEDLO C=CCC[N@H+](C)CN1C(=O)c2ccc(F)cc2C1=O ZINC000786102829 1162043368 /nfs/dbraw/zinc/04/33/68/1162043368.db2.gz WNXGYZLYOMWOMI-UHFFFAOYSA-N 1 2 262.284 1.887 20 30 CDEDLO C=CCCOCC(=O)N[C@@H](C)[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001113074226 1162094250 /nfs/dbraw/zinc/09/42/50/1162094250.db2.gz BXYWEPMHYXRPBA-RYUDHWBXSA-N 1 2 292.383 1.683 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)COCCc2ccccc2)CC1 ZINC001113727269 1162269649 /nfs/dbraw/zinc/26/96/49/1162269649.db2.gz MKHZIKROOXXCOG-UHFFFAOYSA-N 1 2 288.391 1.576 20 30 CDEDLO CC(=O)N1CC(NC(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000329178070 526510660 /nfs/dbraw/zinc/51/06/60/526510660.db2.gz CLSPAVFJUXVBNV-UHFFFAOYSA-N 1 2 289.326 1.151 20 30 CDEDLO N#Cc1cccc(OCC[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)c1 ZINC000246756998 526727224 /nfs/dbraw/zinc/72/72/24/526727224.db2.gz VUJDKBJWGQODEQ-JKSUJKDBSA-N 1 2 299.374 1.680 20 30 CDEDLO N#Cc1cccc(OCC[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)c1 ZINC000246756998 526727228 /nfs/dbraw/zinc/72/72/28/526727228.db2.gz VUJDKBJWGQODEQ-JKSUJKDBSA-N 1 2 299.374 1.680 20 30 CDEDLO C=C(CC)C[NH2+][C@H](C(=O)OCC)[C@@H]1CCCOC1 ZINC000347609746 526859807 /nfs/dbraw/zinc/85/98/07/526859807.db2.gz KRHVZKYAYYCCMI-OLZOCXBDSA-N 1 2 255.358 1.901 20 30 CDEDLO C=CC[C@H](CC)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000347623632 527157233 /nfs/dbraw/zinc/15/72/33/527157233.db2.gz MIWLXQAYDJXHSP-OLZOCXBDSA-N 1 2 269.389 1.361 20 30 CDEDLO C=C[C@@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000354839167 527412267 /nfs/dbraw/zinc/41/22/67/527412267.db2.gz GHEBKCDUMZZRNZ-DGCLKSJQSA-N 1 2 252.358 1.321 20 30 CDEDLO C=C[C@@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000354839167 527412272 /nfs/dbraw/zinc/41/22/72/527412272.db2.gz GHEBKCDUMZZRNZ-DGCLKSJQSA-N 1 2 252.358 1.321 20 30 CDEDLO CC1(C)C[C@@H]1CNC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330189753 527706913 /nfs/dbraw/zinc/70/69/13/527706913.db2.gz MAGDSNOHIIQLFY-MNOVXSKESA-N 1 2 262.357 1.748 20 30 CDEDLO CC1(C)C[C@@H]1C[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000330189753 527706914 /nfs/dbraw/zinc/70/69/14/527706914.db2.gz MAGDSNOHIIQLFY-MNOVXSKESA-N 1 2 262.357 1.748 20 30 CDEDLO CCc1ccnc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000435780911 536013029 /nfs/dbraw/zinc/01/30/29/536013029.db2.gz YHKZMNSCCCGWOF-INIZCTEOSA-N 1 2 294.358 1.832 20 30 CDEDLO COCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000263852456 536837484 /nfs/dbraw/zinc/83/74/84/536837484.db2.gz FDHSXWMEPAPSSL-UHFFFAOYSA-N 1 2 287.363 1.239 20 30 CDEDLO C[C@@H](C(=O)Nc1nc[nH]n1)[N@@H+]1CCc2ccccc2C1 ZINC000329436469 538569302 /nfs/dbraw/zinc/56/93/02/538569302.db2.gz JHLOHLGUNDSVMY-JTQLQIEISA-N 1 2 271.324 1.840 20 30 CDEDLO C[C@@H](C(=O)Nc1nc[nH]n1)[N@H+]1CCc2ccccc2C1 ZINC000329436469 538569307 /nfs/dbraw/zinc/56/93/07/538569307.db2.gz JHLOHLGUNDSVMY-JTQLQIEISA-N 1 2 271.324 1.840 20 30 CDEDLO Cc1cnc([C@H](C)NC(=O)N2CCn3c[nH+]cc3C2)o1 ZINC000329537429 538580656 /nfs/dbraw/zinc/58/06/56/538580656.db2.gz BNMUGLPBTJRYFZ-JTQLQIEISA-N 1 2 275.312 1.670 20 30 CDEDLO CCC[C@@H](C#N)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000726532642 574499901 /nfs/dbraw/zinc/49/99/01/574499901.db2.gz NLEDAWYDFZJMPZ-LBPRGKRZSA-N 1 2 269.308 1.689 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)c1ccccc1OCC#N ZINC000728545200 574636618 /nfs/dbraw/zinc/63/66/18/574636618.db2.gz RLTDRQHBFPSLJF-UHFFFAOYSA-N 1 2 270.292 1.252 20 30 CDEDLO CCCCCCCC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000731873763 575068061 /nfs/dbraw/zinc/06/80/61/575068061.db2.gz ZZUDPKDECXXCSR-CQSZACIVSA-N 1 2 269.433 1.709 20 30 CDEDLO CCCCCCCC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000731873763 575068063 /nfs/dbraw/zinc/06/80/63/575068063.db2.gz ZZUDPKDECXXCSR-CQSZACIVSA-N 1 2 269.433 1.709 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000761044395 576537497 /nfs/dbraw/zinc/53/74/97/576537497.db2.gz KBTJAJVYXYNQDR-ZYHUDNBSSA-N 1 2 289.301 1.679 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000761044395 576537500 /nfs/dbraw/zinc/53/75/00/576537500.db2.gz KBTJAJVYXYNQDR-ZYHUDNBSSA-N 1 2 289.301 1.679 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761072881 576541620 /nfs/dbraw/zinc/54/16/20/576541620.db2.gz FOYNLEONUIWCMT-UONOGXRCSA-N 1 2 265.401 1.211 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761072881 576541621 /nfs/dbraw/zinc/54/16/21/576541621.db2.gz FOYNLEONUIWCMT-UONOGXRCSA-N 1 2 265.401 1.211 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnn(CC(F)F)c1 ZINC000735066524 575416524 /nfs/dbraw/zinc/41/65/24/575416524.db2.gz WTHITPUWWCOJRU-NSHDSACASA-N 1 2 282.294 1.184 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnn(CC(F)F)c1 ZINC000735066524 575416525 /nfs/dbraw/zinc/41/65/25/575416525.db2.gz WTHITPUWWCOJRU-NSHDSACASA-N 1 2 282.294 1.184 20 30 CDEDLO COc1ccc([NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)cc1 ZINC000735858082 575521747 /nfs/dbraw/zinc/52/17/47/575521747.db2.gz VGOKPIWJNPXFKX-GFCCVEGCSA-N 1 2 287.363 1.940 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H](SC)C1 ZINC000772171233 575668627 /nfs/dbraw/zinc/66/86/27/575668627.db2.gz JPMZOWNCARFWQH-KGLIPLIRSA-N 1 2 280.437 1.828 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H](SC)C1 ZINC000772171233 575668628 /nfs/dbraw/zinc/66/86/28/575668628.db2.gz JPMZOWNCARFWQH-KGLIPLIRSA-N 1 2 280.437 1.828 20 30 CDEDLO C[C@H](CC#N)OC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000774087954 575832250 /nfs/dbraw/zinc/83/22/50/575832250.db2.gz XLXSPEQQEPOKSE-SNVBAGLBSA-N 1 2 256.265 1.726 20 30 CDEDLO CON=Cc1ccc(C(=O)NCCc2c[nH+]cn2C)cc1 ZINC000773828812 575839785 /nfs/dbraw/zinc/83/97/85/575839785.db2.gz FHPNITCFGVTBEX-UHFFFAOYSA-N 1 2 286.335 1.373 20 30 CDEDLO C#CCOCCNC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000773969365 575846392 /nfs/dbraw/zinc/84/63/92/575846392.db2.gz AODYRIFLASKJRZ-UHFFFAOYSA-N 1 2 285.347 1.501 20 30 CDEDLO Nc1[nH+]cccc1C=Nn1c(=O)c2ccccc2[nH]c1=S ZINC000764669324 575932498 /nfs/dbraw/zinc/93/24/98/575932498.db2.gz LRPWZRAILYTVJA-UHFFFAOYSA-N 1 2 297.343 1.545 20 30 CDEDLO C#CCCCCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000765116268 575988292 /nfs/dbraw/zinc/98/82/92/575988292.db2.gz PFFMZILYWIGKND-UHFFFAOYSA-N 1 2 264.369 1.161 20 30 CDEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000761110037 576549984 /nfs/dbraw/zinc/54/99/84/576549984.db2.gz RXXGCWKAGBQXFR-UHFFFAOYSA-N 1 2 282.290 1.485 20 30 CDEDLO C#CCOCC[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000761110037 576549985 /nfs/dbraw/zinc/54/99/85/576549985.db2.gz RXXGCWKAGBQXFR-UHFFFAOYSA-N 1 2 282.290 1.485 20 30 CDEDLO C=CCN1CC(=O)N(Cc2cn3ccc(C)cc3[nH+]2)C1=O ZINC000761128904 576553099 /nfs/dbraw/zinc/55/30/99/576553099.db2.gz SONBZSJOJVKWQA-UHFFFAOYSA-N 1 2 284.319 1.593 20 30 CDEDLO CCC(N=Nc1ccc(-n2cc[nH+]c2)nn1)[C@@H]1CCOC1 ZINC000761858295 576598501 /nfs/dbraw/zinc/59/85/01/576598501.db2.gz SFHLJDQRXWGKDX-LLVKDONJSA-N 1 2 286.339 1.877 20 30 CDEDLO C#CCOCCc1nc(-c2cccc(-n3cc[nH+]c3)n2)no1 ZINC000762208668 576629464 /nfs/dbraw/zinc/62/94/64/576629464.db2.gz GDDLGUMLBTYYNV-UHFFFAOYSA-N 1 2 295.302 1.510 20 30 CDEDLO COCC#CCOC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000762824645 576677690 /nfs/dbraw/zinc/67/76/90/576677690.db2.gz SGGYGMBUGRWQHW-UHFFFAOYSA-N 1 2 272.304 1.378 20 30 CDEDLO C[N@H+](Cc1nc2ccccc2c(=O)n1CC#N)[C@@H]1CCOC1 ZINC000744398086 576678734 /nfs/dbraw/zinc/67/87/34/576678734.db2.gz IQJZDTWQKHTPCT-GFCCVEGCSA-N 1 2 298.346 1.141 20 30 CDEDLO C[N@@H+](Cc1nc2ccccc2c(=O)n1CC#N)[C@@H]1CCOC1 ZINC000744398086 576678736 /nfs/dbraw/zinc/67/87/36/576678736.db2.gz IQJZDTWQKHTPCT-GFCCVEGCSA-N 1 2 298.346 1.141 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1ccccc1C#N ZINC000754346222 576892586 /nfs/dbraw/zinc/89/25/86/576892586.db2.gz NKDZCDAGQSPRAK-VOTSOKGWSA-N 1 2 266.304 1.919 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(O)c(C)c1 ZINC000748233313 576902557 /nfs/dbraw/zinc/90/25/57/576902557.db2.gz NSZMUVOJURYZOM-ZDUSSCGKSA-N 1 2 258.321 1.737 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(O)c(C)c1 ZINC000748233313 576902559 /nfs/dbraw/zinc/90/25/59/576902559.db2.gz NSZMUVOJURYZOM-ZDUSSCGKSA-N 1 2 258.321 1.737 20 30 CDEDLO CCn1cc[nH+]c1CN=Nc1ncnc2c1cnn2C ZINC000755644164 576953532 /nfs/dbraw/zinc/95/35/32/576953532.db2.gz HGPYVAVQLSQNFS-UHFFFAOYSA-N 1 2 270.300 1.026 20 30 CDEDLO COc1ccc(NC(=S)NN=Cc2[nH+]c[nH]c2C)cn1 ZINC000755700689 576956178 /nfs/dbraw/zinc/95/61/78/576956178.db2.gz UHXMZYDEMNWTFU-UHFFFAOYSA-N 1 2 290.352 1.442 20 30 CDEDLO CC[N@H+](C[C@@H]1CCCO1)Cn1cccc(C#N)c1=O ZINC000758196140 577080191 /nfs/dbraw/zinc/08/01/91/577080191.db2.gz ATZGKONZSKGTPQ-ZDUSSCGKSA-N 1 2 261.325 1.178 20 30 CDEDLO CC[N@@H+](C[C@@H]1CCCO1)Cn1cccc(C#N)c1=O ZINC000758196140 577080193 /nfs/dbraw/zinc/08/01/93/577080193.db2.gz ATZGKONZSKGTPQ-ZDUSSCGKSA-N 1 2 261.325 1.178 20 30 CDEDLO Cc1ccn(C[N@@H+](C)Cc2cccc(C#N)c2)c(=O)c1C#N ZINC000758204412 577081848 /nfs/dbraw/zinc/08/18/48/577081848.db2.gz IVXKPGNRMQFXFU-UHFFFAOYSA-N 1 2 292.342 1.990 20 30 CDEDLO Cc1ccn(C[N@H+](C)Cc2cccc(C#N)c2)c(=O)c1C#N ZINC000758204412 577081849 /nfs/dbraw/zinc/08/18/49/577081849.db2.gz IVXKPGNRMQFXFU-UHFFFAOYSA-N 1 2 292.342 1.990 20 30 CDEDLO CO[C@@H]1CC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000752323609 577099766 /nfs/dbraw/zinc/09/97/66/577099766.db2.gz VHOBYDTXWVJDDD-GFCCVEGCSA-N 1 2 298.346 1.141 20 30 CDEDLO CO[C@@H]1CC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000752323609 577099767 /nfs/dbraw/zinc/09/97/67/577099767.db2.gz VHOBYDTXWVJDDD-GFCCVEGCSA-N 1 2 298.346 1.141 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCCS1 ZINC000758611682 577121007 /nfs/dbraw/zinc/12/10/07/577121007.db2.gz UZARZTFSUAQSGB-JSGCOSHPSA-N 1 2 266.410 1.486 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCCS1 ZINC000758611682 577121010 /nfs/dbraw/zinc/12/10/10/577121010.db2.gz UZARZTFSUAQSGB-JSGCOSHPSA-N 1 2 266.410 1.486 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2c(C)noc2C)C1 ZINC000949650891 612991689 /nfs/dbraw/zinc/99/16/89/612991689.db2.gz XXZUPTBCFHHRTP-UHFFFAOYSA-N 1 2 275.352 1.461 20 30 CDEDLO CC[C@@H](O)CNN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000811655843 617226445 /nfs/dbraw/zinc/22/64/45/617226445.db2.gz AHHDBTSOUKQUCP-CQSZACIVSA-N 1 2 258.325 1.567 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2c(F)cncc2F)C1 ZINC000950436067 612991727 /nfs/dbraw/zinc/99/17/27/612991727.db2.gz FIDRCYSAOPHRKV-UHFFFAOYSA-N 1 2 293.317 1.529 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cncc3nc[nH]c32)C1 ZINC000950385561 612992844 /nfs/dbraw/zinc/99/28/44/612992844.db2.gz YTXQZTQGFJAOOJ-UHFFFAOYSA-N 1 2 297.362 1.128 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CC3(C)C)CC2)C1 ZINC000949337946 613210210 /nfs/dbraw/zinc/21/02/10/613210210.db2.gz DZDAWKDRDWTDOU-CQSZACIVSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC3(C)C)CC2)C1 ZINC000949337946 613210211 /nfs/dbraw/zinc/21/02/11/613210211.db2.gz DZDAWKDRDWTDOU-CQSZACIVSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C3(C)CC3)CC2)C1 ZINC000949372732 613210251 /nfs/dbraw/zinc/21/02/51/613210251.db2.gz BBVATNALGKLZGV-UHFFFAOYSA-N 1 2 276.380 1.113 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C3(C)CC3)CC2)C1 ZINC000949372732 613210253 /nfs/dbraw/zinc/21/02/53/613210253.db2.gz BBVATNALGKLZGV-UHFFFAOYSA-N 1 2 276.380 1.113 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(C4CC4)CC3)C2)C1 ZINC000972423722 613211250 /nfs/dbraw/zinc/21/12/50/613211250.db2.gz FVLMRRNJCQKFSG-INIZCTEOSA-N 1 2 288.391 1.113 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(C4CC4)CC3)C2)C1 ZINC000972423722 613211251 /nfs/dbraw/zinc/21/12/51/613211251.db2.gz FVLMRRNJCQKFSG-INIZCTEOSA-N 1 2 288.391 1.113 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC3(C)C)C2)C1 ZINC000972510782 613212846 /nfs/dbraw/zinc/21/28/46/613212846.db2.gz PUWJFPNSRQPOGL-RHSMWYFYSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC3(C)C)C2)C1 ZINC000972510782 613212847 /nfs/dbraw/zinc/21/28/47/613212847.db2.gz PUWJFPNSRQPOGL-RHSMWYFYSA-N 1 2 290.407 1.359 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ncoc2C)C1 ZINC000949747518 613298250 /nfs/dbraw/zinc/29/82/50/613298250.db2.gz JBWJMRCBRFCNGU-UHFFFAOYSA-N 1 2 263.341 1.705 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)C2(F)CCCC2)CC1 ZINC000949008876 613316062 /nfs/dbraw/zinc/31/60/62/613316062.db2.gz LEXJOKYBALYNCN-UHFFFAOYSA-N 1 2 254.349 1.989 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn(C)n2)C1 ZINC000968643564 613375565 /nfs/dbraw/zinc/37/55/65/613375565.db2.gz NRMLBCSGCYGYJI-MFKMUULPSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn(C)n2)C1 ZINC000968643564 613375566 /nfs/dbraw/zinc/37/55/66/613375566.db2.gz NRMLBCSGCYGYJI-MFKMUULPSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2[nH]nnc2C)C1 ZINC000967700100 613377690 /nfs/dbraw/zinc/37/76/90/613377690.db2.gz FUQUOKMLRRMKOB-KWQFWETISA-N 1 2 297.790 1.306 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2[nH]nnc2C)C1 ZINC000967700100 613377691 /nfs/dbraw/zinc/37/76/91/613377691.db2.gz FUQUOKMLRRMKOB-KWQFWETISA-N 1 2 297.790 1.306 20 30 CDEDLO C=C(Cl)CN1CC[C@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968698748 613377707 /nfs/dbraw/zinc/37/77/07/613377707.db2.gz RMYMJTZJTLERBU-AAEUAGOBSA-N 1 2 296.802 1.462 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2C)C(C)(C)C1 ZINC000974881748 613379913 /nfs/dbraw/zinc/37/99/13/613379913.db2.gz YGXQMOAUZIMROU-GFCCVEGCSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2C)C(C)(C)C1 ZINC000974881748 613379914 /nfs/dbraw/zinc/37/99/14/613379914.db2.gz YGXQMOAUZIMROU-GFCCVEGCSA-N 1 2 296.802 1.911 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2cccc3n[nH]nc32)CC1 ZINC000981231695 613555030 /nfs/dbraw/zinc/55/50/30/613555030.db2.gz OPRPQETYHOHXQH-UHFFFAOYSA-N 1 2 297.362 1.129 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2cccc3n[nH]nc32)CC1 ZINC000981231695 613555034 /nfs/dbraw/zinc/55/50/34/613555034.db2.gz OPRPQETYHOHXQH-UHFFFAOYSA-N 1 2 297.362 1.129 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2cccc3nn[nH]c32)CC1 ZINC000981231695 613555037 /nfs/dbraw/zinc/55/50/37/613555037.db2.gz OPRPQETYHOHXQH-UHFFFAOYSA-N 1 2 297.362 1.129 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2cccc3nn[nH]c32)CC1 ZINC000981231695 613555041 /nfs/dbraw/zinc/55/50/41/613555041.db2.gz OPRPQETYHOHXQH-UHFFFAOYSA-N 1 2 297.362 1.129 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H](C)[C@H]2CCCO2)CC1 ZINC000957461825 613562553 /nfs/dbraw/zinc/56/25/53/613562553.db2.gz GVQNHYUQGMZYLC-HUUCEWRRSA-N 1 2 278.396 1.359 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC(=O)N[C@@H](CC)C2)C1 ZINC000950961829 613653468 /nfs/dbraw/zinc/65/34/68/613653468.db2.gz VPKSXMNDSPIINC-STQMWFEESA-N 1 2 293.411 1.010 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCO[C@@H](C)C2)C1 ZINC000957046813 613654151 /nfs/dbraw/zinc/65/41/51/613654151.db2.gz ZBIRNGXQXQNCCC-QWHCGFSZSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CCN1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000951781684 613654867 /nfs/dbraw/zinc/65/48/67/613654867.db2.gz DLWLDQUHRVATCK-ZIAGYGMSSA-N 1 2 288.395 1.242 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccccn2)CC1 ZINC000957353040 613710813 /nfs/dbraw/zinc/71/08/13/613710813.db2.gz AGDUUKOLHHWSAN-CYBMUJFWSA-N 1 2 275.352 1.179 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc3ccc(C)cn32)CC1 ZINC000949280936 613718101 /nfs/dbraw/zinc/71/81/01/613718101.db2.gz SHJRFDLCCOFCJQ-UHFFFAOYSA-N 1 2 284.363 1.587 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cn(CC)nc2C)CC1 ZINC000950967148 613718129 /nfs/dbraw/zinc/71/81/29/613718129.db2.gz BZCFVCCVLKWZHY-UHFFFAOYSA-N 1 2 262.357 1.155 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnn(C)c2Cl)CC1 ZINC000948888198 613718558 /nfs/dbraw/zinc/71/85/58/613718558.db2.gz GMEULNBTPFHHLT-UHFFFAOYSA-N 1 2 268.748 1.017 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3coc(C)n3)C2)C1 ZINC000972353588 613727579 /nfs/dbraw/zinc/72/75/79/613727579.db2.gz SITPBZQCLYKXDS-OAHLLOKOSA-N 1 2 291.351 1.086 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3coc(C)n3)C2)C1 ZINC000972353588 613727581 /nfs/dbraw/zinc/72/75/81/613727581.db2.gz SITPBZQCLYKXDS-OAHLLOKOSA-N 1 2 291.351 1.086 20 30 CDEDLO C=CC[N@H+]1CC[C@@H](NC(=O)c2cncc3nc[nH]c32)C[C@@H]1C ZINC000947328380 613758039 /nfs/dbraw/zinc/75/80/39/613758039.db2.gz QPVYLCCHVRMPGV-NWDGAFQWSA-N 1 2 299.378 1.727 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cncc3nc[nH]c32)C[C@@H]1C ZINC000947328380 613758040 /nfs/dbraw/zinc/75/80/40/613758040.db2.gz QPVYLCCHVRMPGV-NWDGAFQWSA-N 1 2 299.378 1.727 20 30 CDEDLO C=CCSCCNc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000892098429 617479737 /nfs/dbraw/zinc/47/97/37/617479737.db2.gz BZDQVQWFPJAZBH-LLVKDONJSA-N 1 2 282.413 1.991 20 30 CDEDLO C=CCSCCNc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000892098429 617479739 /nfs/dbraw/zinc/47/97/39/617479739.db2.gz BZDQVQWFPJAZBH-LLVKDONJSA-N 1 2 282.413 1.991 20 30 CDEDLO CC1(C)CN(CC#N)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000974732174 614609754 /nfs/dbraw/zinc/60/97/54/614609754.db2.gz HSDAQOPWRCLFJB-CQSZACIVSA-N 1 2 297.362 1.527 20 30 CDEDLO C#CC[NH+]1CCN(c2cc(C3CC3)nc(C3CC3)n2)CC1 ZINC000891679533 617535490 /nfs/dbraw/zinc/53/54/90/617535490.db2.gz XHGRUHRAEYQLPZ-UHFFFAOYSA-N 1 2 282.391 1.987 20 30 CDEDLO CCn1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC000971208970 616029298 /nfs/dbraw/zinc/02/92/98/616029298.db2.gz BFZVGEHLHTZCCY-OCCSQVGLSA-N 1 2 289.383 1.095 20 30 CDEDLO CCn1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC000971208970 616029299 /nfs/dbraw/zinc/02/92/99/616029299.db2.gz BFZVGEHLHTZCCY-OCCSQVGLSA-N 1 2 289.383 1.095 20 30 CDEDLO NC(CCO)=[NH+]OCc1cccc(C(F)(F)F)c1 ZINC000136066729 618075556 /nfs/dbraw/zinc/07/55/56/618075556.db2.gz WOHVTRFPYFKBLQ-UHFFFAOYSA-N 1 2 262.231 1.877 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2c3c(nn2C)CCC3)C1=O ZINC000894231406 618740249 /nfs/dbraw/zinc/74/02/49/618740249.db2.gz PLGYHKSUUIMGNJ-AWEZNQCLSA-N 1 2 288.395 1.128 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2c3c(nn2C)CCC3)C1=O ZINC000894231406 618740250 /nfs/dbraw/zinc/74/02/50/618740250.db2.gz PLGYHKSUUIMGNJ-AWEZNQCLSA-N 1 2 288.395 1.128 20 30 CDEDLO Cc1ncoc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000894845058 619094466 /nfs/dbraw/zinc/09/44/66/619094466.db2.gz YFBGNPQZNPYWDH-UHFFFAOYSA-N 1 2 283.335 1.572 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCCN1O ZINC000895157368 619373526 /nfs/dbraw/zinc/37/35/26/619373526.db2.gz CBEHGWCBOVBAQX-JTQLQIEISA-N 1 2 288.706 1.655 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2ccc(F)cc2Cl)CCCN1O ZINC000895160580 619378619 /nfs/dbraw/zinc/37/86/19/619378619.db2.gz BCBVPEQMWFZEKM-LLVKDONJSA-N 1 2 272.707 1.949 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCCN1O ZINC000895165377 619392909 /nfs/dbraw/zinc/39/29/09/619392909.db2.gz KBUARCCKVIPAOD-SNVBAGLBSA-N 1 2 265.269 1.065 20 30 CDEDLO Cc1ccc(C#N)c(N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)n1 ZINC000895245000 619486021 /nfs/dbraw/zinc/48/60/21/619486021.db2.gz CBJASFDEFOMYGN-GXTWGEPZSA-N 1 2 273.384 1.308 20 30 CDEDLO Cc1ccc(C#N)c(N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)n1 ZINC000895245000 619486022 /nfs/dbraw/zinc/48/60/22/619486022.db2.gz CBJASFDEFOMYGN-GXTWGEPZSA-N 1 2 273.384 1.308 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000895740291 619818690 /nfs/dbraw/zinc/81/86/90/619818690.db2.gz PWOXPRZEKBWBCV-CYBMUJFWSA-N 1 2 272.348 1.118 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000897877414 621182400 /nfs/dbraw/zinc/18/24/00/621182400.db2.gz VACUCELZYLQHOA-KRWDZBQOSA-N 1 2 298.386 1.605 20 30 CDEDLO C/C=C/C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000899895050 622512073 /nfs/dbraw/zinc/51/20/73/622512073.db2.gz FDQRQNCVPYEWSL-NSCUHMNNSA-N 1 2 269.348 1.779 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901001001 623772982 /nfs/dbraw/zinc/77/29/82/623772982.db2.gz QHTGSQNSEDRRRM-AWEZNQCLSA-N 1 2 265.357 1.872 20 30 CDEDLO C[C@@H](C#N)OCC[N@H+](C)Cc1nnc2ccccn21 ZINC000801926846 625165864 /nfs/dbraw/zinc/16/58/64/625165864.db2.gz XETSPGKGKRXWOK-NSHDSACASA-N 1 2 259.313 1.090 20 30 CDEDLO C[C@@H](C#N)OCC[N@@H+](C)Cc1nnc2ccccn21 ZINC000801926846 625165870 /nfs/dbraw/zinc/16/58/70/625165870.db2.gz XETSPGKGKRXWOK-NSHDSACASA-N 1 2 259.313 1.090 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907221956 627568444 /nfs/dbraw/zinc/56/84/44/627568444.db2.gz ZFWWVOQRLSJBGO-CYBMUJFWSA-N 1 2 262.353 1.921 20 30 CDEDLO C[Si](C)(C)C#CCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000912326891 629938235 /nfs/dbraw/zinc/93/82/35/629938235.db2.gz ICEKSFUBAJMTRQ-SREVYHEPSA-N 1 2 294.471 1.262 20 30 CDEDLO N#C[C@@H]1C[N@H+](CC2CCSCC2)CCN1C1CC1 ZINC000876734214 630561127 /nfs/dbraw/zinc/56/11/27/630561127.db2.gz PHVWQVTXXIFEPE-CQSZACIVSA-N 1 2 265.426 1.802 20 30 CDEDLO N#C[C@@H]1C[N@@H+](CC2CCSCC2)CCN1C1CC1 ZINC000876734214 630561132 /nfs/dbraw/zinc/56/11/32/630561132.db2.gz PHVWQVTXXIFEPE-CQSZACIVSA-N 1 2 265.426 1.802 20 30 CDEDLO C#CCO[C@H](C)C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000835287111 631607131 /nfs/dbraw/zinc/60/71/31/631607131.db2.gz BUSZQTVSCSZHOC-LLVKDONJSA-N 1 2 262.309 1.229 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000788037872 631694425 /nfs/dbraw/zinc/69/44/25/631694425.db2.gz DIWVALZTBBEOQY-CHWSQXEVSA-N 1 2 272.352 1.323 20 30 CDEDLO CCOc1ccc(/C=N\[C@@H](C)C[NH+]2CCOCC2)c(O)c1 ZINC000915978217 631878546 /nfs/dbraw/zinc/87/85/46/631878546.db2.gz CMIKDUHTLNZUCB-MFVBVHDHSA-N 1 2 292.379 1.931 20 30 CDEDLO C=CC[N@@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000154993696 632605141 /nfs/dbraw/zinc/60/51/41/632605141.db2.gz SKHIJZIQVXPLKT-UHFFFAOYSA-N 1 2 273.296 1.929 20 30 CDEDLO C=CC[N@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000154993696 632605147 /nfs/dbraw/zinc/60/51/47/632605147.db2.gz SKHIJZIQVXPLKT-UHFFFAOYSA-N 1 2 273.296 1.929 20 30 CDEDLO COC[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000933329365 1158817874 /nfs/dbraw/zinc/81/78/74/1158817874.db2.gz HUPVVZWVYPPOOC-OAHLLOKOSA-N 1 2 260.337 1.714 20 30 CDEDLO COC[C@@H]1COCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000933329365 1158817887 /nfs/dbraw/zinc/81/78/87/1158817887.db2.gz HUPVVZWVYPPOOC-OAHLLOKOSA-N 1 2 260.337 1.714 20 30 CDEDLO C[C@H](CC(=O)Nc1cccc(C#N)n1)n1cc[nH+]c1 ZINC001130116240 1162544559 /nfs/dbraw/zinc/54/45/59/1162544559.db2.gz JZWJESFWEIHSIJ-SNVBAGLBSA-N 1 2 255.281 1.740 20 30 CDEDLO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2[nH]nnc2c1 ZINC001024795047 1159434788 /nfs/dbraw/zinc/43/47/88/1159434788.db2.gz XNQXCTSMUJPMAR-CYBMUJFWSA-N 1 2 299.378 1.728 20 30 CDEDLO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2[nH]nnc2c1 ZINC001024795047 1159434793 /nfs/dbraw/zinc/43/47/93/1159434793.db2.gz XNQXCTSMUJPMAR-CYBMUJFWSA-N 1 2 299.378 1.728 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(N)=O ZINC001029454180 1160280519 /nfs/dbraw/zinc/28/05/19/1160280519.db2.gz UDDIJVWWTOPPPV-NFFDBFGFSA-N 1 2 293.411 1.138 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(N)=O ZINC001029454180 1160280524 /nfs/dbraw/zinc/28/05/24/1160280524.db2.gz UDDIJVWWTOPPPV-NFFDBFGFSA-N 1 2 293.411 1.138 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2ccc(C#N)c(Cl)c2)C1 ZINC000226057197 1160565494 /nfs/dbraw/zinc/56/54/94/1160565494.db2.gz VRRFMLXOKCYHJD-LBPRGKRZSA-N 1 2 266.728 1.921 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2ccc(C#N)c(Cl)c2)C1 ZINC000226057197 1160565499 /nfs/dbraw/zinc/56/54/99/1160565499.db2.gz VRRFMLXOKCYHJD-LBPRGKRZSA-N 1 2 266.728 1.921 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cn(CC)nc2C2CC2)C1 ZINC001030379399 1161004930 /nfs/dbraw/zinc/00/49/30/1161004930.db2.gz DRRNRRWPKFQGDY-UHFFFAOYSA-N 1 2 286.379 1.218 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(CC)on2)C1 ZINC001044201159 1161473216 /nfs/dbraw/zinc/47/32/16/1161473216.db2.gz DXNOWBXIJMJIOQ-UHFFFAOYSA-N 1 2 263.341 1.569 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)C2(C)CC(=C)C2)CC1 ZINC001113323480 1162151588 /nfs/dbraw/zinc/15/15/88/1162151588.db2.gz RQKXZRREHKKUAC-UHFFFAOYSA-N 1 2 278.396 1.690 20 30 CDEDLO Cc1nc(N(C)[C@@H](C)CNC(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001113555533 1162216686 /nfs/dbraw/zinc/21/66/86/1162216686.db2.gz OZVPTLIUMMAUSU-JTQLQIEISA-N 1 2 298.350 1.240 20 30 CDEDLO Cc1nc([C@@H](C)[NH2+]CCCNC(=O)C#CC(C)C)no1 ZINC001157639086 1162252052 /nfs/dbraw/zinc/25/20/52/1162252052.db2.gz XVNXOICBCSCQTC-LLVKDONJSA-N 1 2 278.356 1.194 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1c2ccccc2O[C@@H]1C ZINC000811545214 1163495507 /nfs/dbraw/zinc/49/55/07/1163495507.db2.gz XSWINFIJSGQREI-IVMMDQJWSA-N 1 2 284.359 1.722 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1c2ccccc2O[C@@H]1C ZINC000811545214 1163495511 /nfs/dbraw/zinc/49/55/11/1163495511.db2.gz XSWINFIJSGQREI-IVMMDQJWSA-N 1 2 284.359 1.722 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1c2ccccc2O[C@H]1C ZINC000811545212 1163496014 /nfs/dbraw/zinc/49/60/14/1163496014.db2.gz XSWINFIJSGQREI-DUVNUKRYSA-N 1 2 284.359 1.722 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1c2ccccc2O[C@H]1C ZINC000811545212 1163496017 /nfs/dbraw/zinc/49/60/17/1163496017.db2.gz XSWINFIJSGQREI-DUVNUKRYSA-N 1 2 284.359 1.722 20 30 CDEDLO C=CCNC(=O)C[NH2+]Cc1cccnc1Br ZINC000865522807 1164657641 /nfs/dbraw/zinc/65/76/41/1164657641.db2.gz XVLNBRLNTLCZIA-UHFFFAOYSA-N 1 2 284.157 1.236 20 30 CDEDLO C=CC[N@@H+](CCCS(=O)(=O)C(C)(C)C)CCOC ZINC000878503865 1166200166 /nfs/dbraw/zinc/20/01/66/1166200166.db2.gz ZBUFXJBHUCRHSX-UHFFFAOYSA-N 1 2 277.430 1.724 20 30 CDEDLO C=CC[N@H+](CCCS(=O)(=O)C(C)(C)C)CCOC ZINC000878503865 1166200172 /nfs/dbraw/zinc/20/01/72/1166200172.db2.gz ZBUFXJBHUCRHSX-UHFFFAOYSA-N 1 2 277.430 1.724 20 30 CDEDLO N#CCC1(C[N@H+]2CCCC[C@H]2C(=O)NCC(F)F)CC1 ZINC000878683391 1166231701 /nfs/dbraw/zinc/23/17/01/1166231701.db2.gz XFBPMEJYLOWODQ-NSHDSACASA-N 1 2 285.338 1.916 20 30 CDEDLO N#CCC1(C[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)CC1 ZINC000878683391 1166231707 /nfs/dbraw/zinc/23/17/07/1166231707.db2.gz XFBPMEJYLOWODQ-NSHDSACASA-N 1 2 285.338 1.916 20 30 CDEDLO CC#CC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000127534077 1166303434 /nfs/dbraw/zinc/30/34/34/1166303434.db2.gz RDLMBAOUABSNMP-LBPRGKRZSA-N 1 2 252.358 1.951 20 30 CDEDLO CC#CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000127534077 1166303437 /nfs/dbraw/zinc/30/34/37/1166303437.db2.gz RDLMBAOUABSNMP-LBPRGKRZSA-N 1 2 252.358 1.951 20 30 CDEDLO C=CCOCC(=O)N(C)CC[N@H+](C)Cc1nc(C)cs1 ZINC001753849850 1185359784 /nfs/dbraw/zinc/35/97/84/1185359784.db2.gz NCLYFNIDKPOELR-UHFFFAOYSA-N 1 2 297.424 1.544 20 30 CDEDLO C=CCOCC(=O)N(C)CC[N@@H+](C)Cc1nc(C)cs1 ZINC001753849850 1185359800 /nfs/dbraw/zinc/35/98/00/1185359800.db2.gz NCLYFNIDKPOELR-UHFFFAOYSA-N 1 2 297.424 1.544 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NC/C=C\C[NH2+]Cc1nnc(C)o1 ZINC001754166373 1185491055 /nfs/dbraw/zinc/49/10/55/1185491055.db2.gz KMNZLWDCBXKMDW-LZNQSLFOSA-N 1 2 292.383 1.742 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)C2(C(C)(F)F)CC2)C1 ZINC001754581966 1185674485 /nfs/dbraw/zinc/67/44/85/1185674485.db2.gz OTULBANJIUEFHO-UHFFFAOYSA-N 1 2 270.323 1.588 20 30 CDEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[C@@H](CC)O2)C1 ZINC001755334014 1185921716 /nfs/dbraw/zinc/92/17/16/1185921716.db2.gz RKBODULDACLSQQ-KGLIPLIRSA-N 1 2 296.411 1.073 20 30 CDEDLO C=CC[N@H+]1CC=C(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001755888149 1186102331 /nfs/dbraw/zinc/10/23/31/1186102331.db2.gz OLZAHTCKPLKMIV-SNVBAGLBSA-N 1 2 280.265 1.821 20 30 CDEDLO C=CC[N@@H+]1CC=C(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001755888149 1186102334 /nfs/dbraw/zinc/10/23/34/1186102334.db2.gz OLZAHTCKPLKMIV-SNVBAGLBSA-N 1 2 280.265 1.821 20 30 CDEDLO C=CC[N@H+]1CC=C(CNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001755888149 1186102342 /nfs/dbraw/zinc/10/23/42/1186102342.db2.gz OLZAHTCKPLKMIV-SNVBAGLBSA-N 1 2 280.265 1.821 20 30 CDEDLO C=CC[N@@H+]1CC=C(CNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001755888149 1186102346 /nfs/dbraw/zinc/10/23/46/1186102346.db2.gz OLZAHTCKPLKMIV-SNVBAGLBSA-N 1 2 280.265 1.821 20 30 CDEDLO C=CC[NH+]1CCN(c2ncc(Cl)nc2C(=O)OC)CC1 ZINC001165031257 721867255 /nfs/dbraw/zinc/86/72/55/721867255.db2.gz AVHZSEMFTHOHQP-UHFFFAOYSA-N 1 2 296.758 1.225 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2ocnc2C(F)F)C1 ZINC001015711765 783660482 /nfs/dbraw/zinc/66/04/82/783660482.db2.gz PYFLMVOWZDDGNW-MRVPVSSYSA-N 1 2 269.251 1.050 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ocnc2C(F)F)C1 ZINC001015711765 783660488 /nfs/dbraw/zinc/66/04/88/783660488.db2.gz PYFLMVOWZDDGNW-MRVPVSSYSA-N 1 2 269.251 1.050 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C(C)C)n1 ZINC001018013750 783708749 /nfs/dbraw/zinc/70/87/49/783708749.db2.gz FVTNTJKWGYGZJO-OKILXGFUSA-N 1 2 286.379 1.386 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C(C)C)n1 ZINC001018013750 783708766 /nfs/dbraw/zinc/70/87/66/783708766.db2.gz FVTNTJKWGYGZJO-OKILXGFUSA-N 1 2 286.379 1.386 20 30 CDEDLO C[C@H](NC(=O)C#Cc1cccs1)[C@H](C)[NH+]1CCOCC1 ZINC000825727083 783713832 /nfs/dbraw/zinc/71/38/32/783713832.db2.gz HVMMHMFFENCUOA-STQMWFEESA-N 1 2 292.404 1.325 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1sc(C)cc1C ZINC001032758097 783716515 /nfs/dbraw/zinc/71/65/15/783716515.db2.gz CFBOMGOLYBWXDA-KBPBESRZSA-N 1 2 288.416 1.826 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1sc(C)cc1C ZINC001032758097 783716521 /nfs/dbraw/zinc/71/65/21/783716521.db2.gz CFBOMGOLYBWXDA-KBPBESRZSA-N 1 2 288.416 1.826 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001015079399 783732216 /nfs/dbraw/zinc/73/22/16/783732216.db2.gz XVCGNOZRVQFQCS-LLVKDONJSA-N 1 2 274.368 1.279 20 30 CDEDLO C=CC[N@H+]1CC[C@@H](NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001015079399 783732225 /nfs/dbraw/zinc/73/22/25/783732225.db2.gz XVCGNOZRVQFQCS-LLVKDONJSA-N 1 2 274.368 1.279 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@](C)(c2ccccc2F)C1=O ZINC000872600542 783743058 /nfs/dbraw/zinc/74/30/58/783743058.db2.gz HETMORCYHZMBHI-LRDDRELGSA-N 1 2 274.339 1.837 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@](C)(c2ccccc2F)C1=O ZINC000872600542 783743066 /nfs/dbraw/zinc/74/30/66/783743066.db2.gz HETMORCYHZMBHI-LRDDRELGSA-N 1 2 274.339 1.837 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001035393766 783761027 /nfs/dbraw/zinc/76/10/27/783761027.db2.gz FMBTYLNNAUYSMG-RYUDHWBXSA-N 1 2 288.338 1.425 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001035393766 783761036 /nfs/dbraw/zinc/76/10/36/783761036.db2.gz FMBTYLNNAUYSMG-RYUDHWBXSA-N 1 2 288.338 1.425 20 30 CDEDLO COc1ccnc(N=NCc2c[nH+]c3n2CCC3)n1 ZINC000853289316 783781682 /nfs/dbraw/zinc/78/16/82/783781682.db2.gz WHPMIJDWSQYOIF-UHFFFAOYSA-N 1 2 258.285 1.074 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccnc(OC(C)C)c2)C1 ZINC001031240318 783816349 /nfs/dbraw/zinc/81/63/49/783816349.db2.gz RUHJEUORJUFSCL-UHFFFAOYSA-N 1 2 287.363 1.306 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(CC)ccn1 ZINC001038280549 783818817 /nfs/dbraw/zinc/81/88/17/783818817.db2.gz MMOSLZDGJRKAAG-AWEZNQCLSA-N 1 2 271.364 1.471 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(CC)ccn1 ZINC001038280549 783818818 /nfs/dbraw/zinc/81/88/18/783818818.db2.gz MMOSLZDGJRKAAG-AWEZNQCLSA-N 1 2 271.364 1.471 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(-n3cccn3)cc2)C1 ZINC001030443105 783877421 /nfs/dbraw/zinc/87/74/21/783877421.db2.gz ABMWELGCFORSJL-UHFFFAOYSA-N 1 2 294.358 1.310 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CC)c1 ZINC001017420946 783965344 /nfs/dbraw/zinc/96/53/44/783965344.db2.gz DGWOTKVTHRPIAK-GASCZTMLSA-N 1 2 286.379 1.215 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CC)c1 ZINC001017420946 783965362 /nfs/dbraw/zinc/96/53/62/783965362.db2.gz DGWOTKVTHRPIAK-GASCZTMLSA-N 1 2 286.379 1.215 20 30 CDEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccn1 ZINC001032397477 783976412 /nfs/dbraw/zinc/97/64/12/783976412.db2.gz GXQQDWUWZPDTKB-HOTGVXAUSA-N 1 2 281.359 1.280 20 30 CDEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccn1 ZINC001032397477 783976420 /nfs/dbraw/zinc/97/64/20/783976420.db2.gz GXQQDWUWZPDTKB-HOTGVXAUSA-N 1 2 281.359 1.280 20 30 CDEDLO COC(=O)/C(C)=C/C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879585552 784042572 /nfs/dbraw/zinc/04/25/72/784042572.db2.gz IGEDKDXZWWTYIC-VGOFMYFVSA-N 1 2 299.374 1.800 20 30 CDEDLO C=C(C)[C@H](CC(=O)OCC[N@@H+]1CCO[C@H](C)C1)OCC ZINC000800189110 784093692 /nfs/dbraw/zinc/09/36/92/784093692.db2.gz FRNSYHMGPBETNO-KGLIPLIRSA-N 1 2 285.384 1.622 20 30 CDEDLO C=C(C)[C@H](CC(=O)OCC[N@H+]1CCO[C@H](C)C1)OCC ZINC000800189110 784093695 /nfs/dbraw/zinc/09/36/95/784093695.db2.gz FRNSYHMGPBETNO-KGLIPLIRSA-N 1 2 285.384 1.622 20 30 CDEDLO COc1cc(F)cc(N[NH+]=Cc2cnn(C)c2N)c1 ZINC000814870454 784147180 /nfs/dbraw/zinc/14/71/80/784147180.db2.gz CPFGBBHTQZWHJQ-UHFFFAOYSA-N 1 2 263.276 1.596 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccnc(CCC)c2)C1 ZINC001030478220 784240745 /nfs/dbraw/zinc/24/07/45/784240745.db2.gz CVNHSQBUSKNLHK-UHFFFAOYSA-N 1 2 271.364 1.471 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001031075395 784287330 /nfs/dbraw/zinc/28/73/30/784287330.db2.gz IDCNDKMXGWPWQZ-ZIAGYGMSSA-N 1 2 288.416 1.984 20 30 CDEDLO N#Cc1ccc(CNC(=O)/C=C\C[NH+]2CCOCC2)cc1 ZINC000864789669 784288631 /nfs/dbraw/zinc/28/86/31/784288631.db2.gz SXMZKLVPJBKKED-UPHRSURJSA-N 1 2 285.347 1.063 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c[nH]c2cccnc12 ZINC001038921873 784428271 /nfs/dbraw/zinc/42/82/71/784428271.db2.gz NGQSEOPLKSEUFE-NSHDSACASA-N 1 2 268.320 1.000 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]c2cccnc12 ZINC001038921873 784428307 /nfs/dbraw/zinc/42/83/07/784428307.db2.gz NGQSEOPLKSEUFE-NSHDSACASA-N 1 2 268.320 1.000 20 30 CDEDLO C=CC[N@H+](CN1C[C@@](C)(COC)CC1=O)[C@H](C)COC ZINC000853534069 784436270 /nfs/dbraw/zinc/43/62/70/784436270.db2.gz GJKXZMLGBXTELD-HIFRSBDPSA-N 1 2 284.400 1.352 20 30 CDEDLO C=CC[N@@H+](CN1C[C@@](C)(COC)CC1=O)[C@H](C)COC ZINC000853534069 784436286 /nfs/dbraw/zinc/43/62/86/784436286.db2.gz GJKXZMLGBXTELD-HIFRSBDPSA-N 1 2 284.400 1.352 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)CCC2 ZINC001032774681 784443340 /nfs/dbraw/zinc/44/33/40/784443340.db2.gz OJZAALAZZSKTLZ-IRXDYDNUSA-N 1 2 280.371 1.707 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)CCC2 ZINC001032774681 784443349 /nfs/dbraw/zinc/44/33/49/784443349.db2.gz OJZAALAZZSKTLZ-IRXDYDNUSA-N 1 2 280.371 1.707 20 30 CDEDLO N#CC1(NC(=O)C[N@H+](Cc2ccoc2)C2CC2)CCC1 ZINC000934003514 784450821 /nfs/dbraw/zinc/45/08/21/784450821.db2.gz HYBDHDIBNGVPHN-UHFFFAOYSA-N 1 2 273.336 1.806 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+](Cc2ccoc2)C2CC2)CCC1 ZINC000934003514 784450832 /nfs/dbraw/zinc/45/08/32/784450832.db2.gz HYBDHDIBNGVPHN-UHFFFAOYSA-N 1 2 273.336 1.806 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1 ZINC001050792450 784546664 /nfs/dbraw/zinc/54/66/64/784546664.db2.gz SKOPUAOTORWDKB-HNNXBMFYSA-N 1 2 274.364 1.693 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1 ZINC001050792450 784546690 /nfs/dbraw/zinc/54/66/90/784546690.db2.gz SKOPUAOTORWDKB-HNNXBMFYSA-N 1 2 274.364 1.693 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(CC)nn(C)c1Cl ZINC001038889888 784604006 /nfs/dbraw/zinc/60/40/06/784604006.db2.gz MPVVKWYLRMSIGR-SNVBAGLBSA-N 1 2 294.786 1.073 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(CC)nn(C)c1Cl ZINC001038889888 784604018 /nfs/dbraw/zinc/60/40/18/784604018.db2.gz MPVVKWYLRMSIGR-SNVBAGLBSA-N 1 2 294.786 1.073 20 30 CDEDLO Cc1nonc1CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000853656787 784753631 /nfs/dbraw/zinc/75/36/31/784753631.db2.gz BNBNYQXOOUBODV-UHFFFAOYSA-N 1 2 264.260 1.663 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c(=O)ccoc3c2)C1 ZINC001016006891 784804600 /nfs/dbraw/zinc/80/46/00/784804600.db2.gz QALMOIRJKPQDGW-ZDUSSCGKSA-N 1 2 296.326 1.230 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c(=O)ccoc3c2)C1 ZINC001016006891 784804607 /nfs/dbraw/zinc/80/46/07/784804607.db2.gz QALMOIRJKPQDGW-ZDUSSCGKSA-N 1 2 296.326 1.230 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000932162871 784825803 /nfs/dbraw/zinc/82/58/03/784825803.db2.gz XSVGSELIHDOKNK-TZMCWYRMSA-N 1 2 278.327 1.801 20 30 CDEDLO N#C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000932162871 784825805 /nfs/dbraw/zinc/82/58/05/784825805.db2.gz XSVGSELIHDOKNK-TZMCWYRMSA-N 1 2 278.327 1.801 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(OC)cc1C ZINC001038656302 784869143 /nfs/dbraw/zinc/86/91/43/784869143.db2.gz FPFQOTJTBDSNNC-ZDUSSCGKSA-N 1 2 272.348 1.441 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OC)cc1C ZINC001038656302 784869146 /nfs/dbraw/zinc/86/91/46/784869146.db2.gz FPFQOTJTBDSNNC-ZDUSSCGKSA-N 1 2 272.348 1.441 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)coc1C ZINC001038208206 784879753 /nfs/dbraw/zinc/87/97/53/784879753.db2.gz SIJWSHKGADGICC-CYBMUJFWSA-N 1 2 260.337 1.724 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)coc1C ZINC001038208206 784879756 /nfs/dbraw/zinc/87/97/56/784879756.db2.gz SIJWSHKGADGICC-CYBMUJFWSA-N 1 2 260.337 1.724 20 30 CDEDLO C#CC[C@H]([NH2+]C1CCC(CC(=O)OC)CC1)C(=O)OC ZINC000862390753 784880320 /nfs/dbraw/zinc/88/03/20/784880320.db2.gz CGMJNQHSJDXNCV-BPCQOVAHSA-N 1 2 281.352 1.263 20 30 CDEDLO C#CCC(C)(C)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800203590 784895714 /nfs/dbraw/zinc/89/57/14/784895714.db2.gz UWADAACWVQEUEN-GFCCVEGCSA-N 1 2 253.342 1.300 20 30 CDEDLO C#CCC(C)(C)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800203590 784895716 /nfs/dbraw/zinc/89/57/16/784895716.db2.gz UWADAACWVQEUEN-GFCCVEGCSA-N 1 2 253.342 1.300 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OCC)c(C)c1 ZINC001038769084 784913330 /nfs/dbraw/zinc/91/33/30/784913330.db2.gz UBPVKPLPSZORPM-OAHLLOKOSA-N 1 2 286.375 1.831 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OCC)c(C)c1 ZINC001038769084 784913342 /nfs/dbraw/zinc/91/33/42/784913342.db2.gz UBPVKPLPSZORPM-OAHLLOKOSA-N 1 2 286.375 1.831 20 30 CDEDLO C=C(Br)C[NH+]1CCC(NC(C)=O)CC1 ZINC000051579790 784921060 /nfs/dbraw/zinc/92/10/60/784921060.db2.gz XUHXPTCVGDHGOB-UHFFFAOYSA-N 1 2 261.163 1.496 20 30 CDEDLO C#Cc1cccc(NC(=O)/C=C\C[NH+]2CCOCC2)c1 ZINC000864672454 784933198 /nfs/dbraw/zinc/93/31/98/784933198.db2.gz RLCUPFRXXDYGMP-DAXSKMNVSA-N 1 2 270.332 1.495 20 30 CDEDLO N#Cc1ccc(F)c(CNC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000354165692 784996088 /nfs/dbraw/zinc/99/60/88/784996088.db2.gz UUUQVWPWYQPQEH-UHFFFAOYSA-N 1 2 272.283 1.669 20 30 CDEDLO N#Cc1ccc(F)c(CNC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000354165692 784996097 /nfs/dbraw/zinc/99/60/97/784996097.db2.gz UUUQVWPWYQPQEH-UHFFFAOYSA-N 1 2 272.283 1.669 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cc[nH]c2n1 ZINC001032460466 785017595 /nfs/dbraw/zinc/01/75/95/785017595.db2.gz OQRJFDWLMLXSGD-STQMWFEESA-N 1 2 280.331 1.095 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cc[nH]c2n1 ZINC001032460466 785017601 /nfs/dbraw/zinc/01/76/01/785017601.db2.gz OQRJFDWLMLXSGD-STQMWFEESA-N 1 2 280.331 1.095 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc([C@@H](C)O)s2)C1 ZINC000923562302 785026684 /nfs/dbraw/zinc/02/66/84/785026684.db2.gz UUTXKABZZXSXAZ-MNOVXSKESA-N 1 2 293.392 1.024 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc([C@@H](C)O)s2)C1 ZINC000923562302 785026697 /nfs/dbraw/zinc/02/66/97/785026697.db2.gz UUTXKABZZXSXAZ-MNOVXSKESA-N 1 2 293.392 1.024 20 30 CDEDLO Cn1cc[nH+]c1NN=Cc1cccc2c1CCOC2 ZINC000884458603 785029126 /nfs/dbraw/zinc/02/91/26/785029126.db2.gz JOYHAVAIFVOOOW-UHFFFAOYSA-N 1 2 256.309 1.939 20 30 CDEDLO CN(C(=O)C1CC1)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001042394858 785040883 /nfs/dbraw/zinc/04/08/83/785040883.db2.gz GAOBSJUKRXVALD-UHFFFAOYSA-N 1 2 299.374 1.642 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882873367 785074334 /nfs/dbraw/zinc/07/43/34/785074334.db2.gz YIHZFKZTEQZXJE-GXTWGEPZSA-N 1 2 268.320 1.900 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cnon3)[C@@H]2C1 ZINC001050167308 785074728 /nfs/dbraw/zinc/07/47/28/785074728.db2.gz QUBLWXGSJXDINO-CMPLNLGQSA-N 1 2 296.758 1.359 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3cnon3)[C@@H]2C1 ZINC001050167308 785074738 /nfs/dbraw/zinc/07/47/38/785074738.db2.gz QUBLWXGSJXDINO-CMPLNLGQSA-N 1 2 296.758 1.359 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncnc1C1CC1 ZINC001032759304 785117865 /nfs/dbraw/zinc/11/78/65/785117865.db2.gz HKCBZNHXAAXNQU-KBPBESRZSA-N 1 2 296.374 1.276 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncnc1C1CC1 ZINC001032759304 785117873 /nfs/dbraw/zinc/11/78/73/785117873.db2.gz HKCBZNHXAAXNQU-KBPBESRZSA-N 1 2 296.374 1.276 20 30 CDEDLO C#CC1(F)CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000881947632 785154472 /nfs/dbraw/zinc/15/44/72/785154472.db2.gz ZJXXIXNMIASBCJ-UHFFFAOYSA-N 1 2 283.306 1.729 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2sc(COC)nc2C)C1 ZINC001016120420 785238049 /nfs/dbraw/zinc/23/80/49/785238049.db2.gz PYOXVGWWJHDVGT-NSHDSACASA-N 1 2 293.392 1.035 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2sc(COC)nc2C)C1 ZINC001016120420 785238067 /nfs/dbraw/zinc/23/80/67/785238067.db2.gz PYOXVGWWJHDVGT-NSHDSACASA-N 1 2 293.392 1.035 20 30 CDEDLO C#Cc1cncc(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000798151960 785331789 /nfs/dbraw/zinc/33/17/89/785331789.db2.gz NJRLWCBNRZZKCJ-UHFFFAOYSA-N 1 2 254.293 1.080 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@]23C[C@H]2COC3)C1 ZINC001033835150 785336750 /nfs/dbraw/zinc/33/67/50/785336750.db2.gz NJIKYGAKHHWZGT-GUTXKFCHSA-N 1 2 298.814 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@]23C[C@H]2COC3)C1 ZINC001033835150 785336755 /nfs/dbraw/zinc/33/67/55/785336755.db2.gz NJIKYGAKHHWZGT-GUTXKFCHSA-N 1 2 298.814 1.698 20 30 CDEDLO CC(C)(C)OC(=O)NCCOCC[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932154640 785366026 /nfs/dbraw/zinc/36/60/26/785366026.db2.gz LZTGLDQVRVOUOR-ZDUSSCGKSA-N 1 2 297.399 1.763 20 30 CDEDLO CC(C)(C)OC(=O)NCCOCC[N@H+]1CCC[C@@H](C#N)C1 ZINC000932154640 785366035 /nfs/dbraw/zinc/36/60/35/785366035.db2.gz LZTGLDQVRVOUOR-ZDUSSCGKSA-N 1 2 297.399 1.763 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)CCC(C)C ZINC000884047456 785437740 /nfs/dbraw/zinc/43/77/40/785437740.db2.gz VBIQYAYSVBHMFY-NEPJUHHUSA-N 1 2 270.373 1.374 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2c(F)cccc2F)C1 ZINC001030865758 785521412 /nfs/dbraw/zinc/52/14/12/785521412.db2.gz WSNWLPGWNCCMQN-UHFFFAOYSA-N 1 2 278.302 1.331 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1CCCC1)O2 ZINC001053561345 785534631 /nfs/dbraw/zinc/53/46/31/785534631.db2.gz LUELNIRNASKSSH-AWEZNQCLSA-N 1 2 278.396 1.712 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC001039021692 785613081 /nfs/dbraw/zinc/61/30/81/785613081.db2.gz NOTSOXAMZDLYIS-LBPRGKRZSA-N 1 2 298.346 1.415 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC001039021692 785613094 /nfs/dbraw/zinc/61/30/94/785613094.db2.gz NOTSOXAMZDLYIS-LBPRGKRZSA-N 1 2 298.346 1.415 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001038754317 785675393 /nfs/dbraw/zinc/67/53/93/785675393.db2.gz XOXGQNVBECVQEI-GFCCVEGCSA-N 1 2 298.346 1.096 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001038754317 785675415 /nfs/dbraw/zinc/67/54/15/785675415.db2.gz XOXGQNVBECVQEI-GFCCVEGCSA-N 1 2 298.346 1.096 20 30 CDEDLO C#Cc1cccc(CNC(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000838721111 785697379 /nfs/dbraw/zinc/69/73/79/785697379.db2.gz KBFPTNLZGSGAEI-UHFFFAOYSA-N 1 2 280.331 1.590 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC001038796281 785700605 /nfs/dbraw/zinc/70/06/05/785700605.db2.gz QUSNXIFGLJKYBL-HYVNUMGLSA-N 1 2 298.386 1.622 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC001038796281 785700621 /nfs/dbraw/zinc/70/06/21/785700621.db2.gz QUSNXIFGLJKYBL-HYVNUMGLSA-N 1 2 298.386 1.622 20 30 CDEDLO C[C@H]1CN(C(=O)c2cc(O)cc(C#N)c2)CC[N@@H+]1C ZINC000809694566 785730296 /nfs/dbraw/zinc/73/02/96/785730296.db2.gz PQOAAHDNNIIGHI-JTQLQIEISA-N 1 2 259.309 1.040 20 30 CDEDLO C[C@H]1CN(C(=O)c2cc(O)cc(C#N)c2)CC[N@H+]1C ZINC000809694566 785730309 /nfs/dbraw/zinc/73/03/09/785730309.db2.gz PQOAAHDNNIIGHI-JTQLQIEISA-N 1 2 259.309 1.040 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCO[C@H]1C(C)C ZINC001038263651 785747070 /nfs/dbraw/zinc/74/70/70/785747070.db2.gz UYRMGLWVCHOLDG-KKUMJFAQSA-N 1 2 278.396 1.261 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCO[C@H]1C(C)C ZINC001038263651 785747094 /nfs/dbraw/zinc/74/70/94/785747094.db2.gz UYRMGLWVCHOLDG-KKUMJFAQSA-N 1 2 278.396 1.261 20 30 CDEDLO CCOc1ccc(O)c(/C=N\[C@H](C)C[NH+]2CCOCC2)c1 ZINC000255918624 785791425 /nfs/dbraw/zinc/79/14/25/785791425.db2.gz ZHHHLHUESACISY-GPLLRDDGSA-N 1 2 292.379 1.931 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccn[nH]2)[C@@H]1C ZINC000993068844 785827650 /nfs/dbraw/zinc/82/76/50/785827650.db2.gz JKMCVICTUUPFKE-WDEREUQCSA-N 1 2 282.775 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccn[nH]2)[C@@H]1C ZINC000993068844 785827651 /nfs/dbraw/zinc/82/76/51/785827651.db2.gz JKMCVICTUUPFKE-WDEREUQCSA-N 1 2 282.775 1.745 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CCC)cc1 ZINC000093771651 785844879 /nfs/dbraw/zinc/84/48/79/785844879.db2.gz JUWJBHKGKZMGPX-MRXNPFEDSA-N 1 2 286.375 1.799 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCNC(=O)[C@H]2CCC)cc1 ZINC000093771651 785844893 /nfs/dbraw/zinc/84/48/93/785844893.db2.gz JUWJBHKGKZMGPX-MRXNPFEDSA-N 1 2 286.375 1.799 20 30 CDEDLO O=C(C#CC1CC1)N1CCC[C@H]([NH2+]Cc2cnsn2)C1 ZINC000999125616 785864280 /nfs/dbraw/zinc/86/42/80/785864280.db2.gz APMYXCPKHOGZAK-LBPRGKRZSA-N 1 2 290.392 1.032 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2ccccc2n1C ZINC001038640879 785876896 /nfs/dbraw/zinc/87/68/96/785876896.db2.gz ZHSFQQVTOWPLLC-AWEZNQCLSA-N 1 2 281.359 1.616 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2ccccc2n1C ZINC001038640879 785876897 /nfs/dbraw/zinc/87/68/97/785876897.db2.gz ZHSFQQVTOWPLLC-AWEZNQCLSA-N 1 2 281.359 1.616 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ncoc1C(C)(C)C ZINC001038902521 785889133 /nfs/dbraw/zinc/88/91/33/785889133.db2.gz HPDNKWIMTHIALE-LLVKDONJSA-N 1 2 277.368 1.962 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncoc1C(C)(C)C ZINC001038902521 785889137 /nfs/dbraw/zinc/88/91/37/785889137.db2.gz HPDNKWIMTHIALE-LLVKDONJSA-N 1 2 277.368 1.962 20 30 CDEDLO C=CC[N@H+]1CCC[C@H](NC(=O)c2cnccc2N(C)C)C1 ZINC001009233101 785919018 /nfs/dbraw/zinc/91/90/18/785919018.db2.gz YHHGCXKGOWKTFD-ZDUSSCGKSA-N 1 2 288.395 1.528 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cnccc2N(C)C)C1 ZINC001009233101 785919027 /nfs/dbraw/zinc/91/90/27/785919027.db2.gz YHHGCXKGOWKTFD-ZDUSSCGKSA-N 1 2 288.395 1.528 20 30 CDEDLO C=CCN1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001009233101 785919047 /nfs/dbraw/zinc/91/90/47/785919047.db2.gz YHHGCXKGOWKTFD-ZDUSSCGKSA-N 1 2 288.395 1.528 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)o1 ZINC001032696761 786024123 /nfs/dbraw/zinc/02/41/23/786024123.db2.gz HFLVOVVNBVCRPB-RYUDHWBXSA-N 1 2 274.320 1.210 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)o1 ZINC001032696761 786024129 /nfs/dbraw/zinc/02/41/29/786024129.db2.gz HFLVOVVNBVCRPB-RYUDHWBXSA-N 1 2 274.320 1.210 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccccc2OC(C)C)C1 ZINC001031292138 786030936 /nfs/dbraw/zinc/03/09/36/786030936.db2.gz USGIENXNVIZURR-UHFFFAOYSA-N 1 2 286.375 1.911 20 30 CDEDLO C#C[C@H](CC)NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000854073886 786039745 /nfs/dbraw/zinc/03/97/45/786039745.db2.gz FGOXBJUPBSAZOJ-MJBXVCDLSA-N 1 2 274.368 1.887 20 30 CDEDLO CC[C@](C)([NH2+]C[C@H](O)CC1(C#N)CCC1)C(=O)OC ZINC000886100262 786046527 /nfs/dbraw/zinc/04/65/27/786046527.db2.gz JQHGWJNFMLWPGA-YPMHNXCESA-N 1 2 268.357 1.363 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928648438 786046687 /nfs/dbraw/zinc/04/66/87/786046687.db2.gz UVUTUENVCZLKPX-ZDUSSCGKSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnc3n2CCCC3)C1 ZINC001030832460 786123991 /nfs/dbraw/zinc/12/39/91/786123991.db2.gz CWKHVSMZDRTTOX-UHFFFAOYSA-N 1 2 274.368 1.210 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2Cc3ccccc3O2)C1 ZINC001043264419 786131175 /nfs/dbraw/zinc/13/11/75/786131175.db2.gz IPPLQHHLVWGWRB-MRXNPFEDSA-N 1 2 286.375 1.709 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3ccnn3C)C2)C1 ZINC001015674139 786140009 /nfs/dbraw/zinc/14/00/09/786140009.db2.gz VTOHLWHCTAIBRB-CYBMUJFWSA-N 1 2 288.395 1.467 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3ccnn3C)C2)C1 ZINC001015674139 786140029 /nfs/dbraw/zinc/14/00/29/786140029.db2.gz VTOHLWHCTAIBRB-CYBMUJFWSA-N 1 2 288.395 1.467 20 30 CDEDLO Cc1cnc(C[N@H+]2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)o1 ZINC001072559727 786167789 /nfs/dbraw/zinc/16/77/89/786167789.db2.gz PNKONOHFQMMFMS-LLVKDONJSA-N 1 2 288.351 1.177 20 30 CDEDLO Cc1cnc(C[N@@H+]2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)o1 ZINC001072559727 786167792 /nfs/dbraw/zinc/16/77/92/786167792.db2.gz PNKONOHFQMMFMS-LLVKDONJSA-N 1 2 288.351 1.177 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cnc(Cl)c(C)c1 ZINC000884140029 786187223 /nfs/dbraw/zinc/18/72/23/786187223.db2.gz IQLDYBKKLRJCLB-JTQLQIEISA-N 1 2 297.742 1.429 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)C#Cc2cccs2)[C@@H](C)CO1 ZINC000855406543 786204860 /nfs/dbraw/zinc/20/48/60/786204860.db2.gz FGGJUJZLJBTJRU-STQMWFEESA-N 1 2 292.404 1.325 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)C#Cc2cccs2)[C@@H](C)CO1 ZINC000855406543 786204885 /nfs/dbraw/zinc/20/48/85/786204885.db2.gz FGGJUJZLJBTJRU-STQMWFEESA-N 1 2 292.404 1.325 20 30 CDEDLO C#CCOCC[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000851906991 786215629 /nfs/dbraw/zinc/21/56/29/786215629.db2.gz CFKZWDWHTODYFL-GFCCVEGCSA-N 1 2 255.358 1.592 20 30 CDEDLO C=CCCn1cc(C(=O)OCCCc2[nH+]ccn2C)nn1 ZINC000820712006 786230822 /nfs/dbraw/zinc/23/08/22/786230822.db2.gz AFBUWZHYGZYIQX-UHFFFAOYSA-N 1 2 289.339 1.377 20 30 CDEDLO N#Cc1ccc(C[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)cc1 ZINC000865414771 786243102 /nfs/dbraw/zinc/24/31/02/786243102.db2.gz BSYFVAZVBKPQRH-MRXNPFEDSA-N 1 2 297.362 1.619 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cncc(F)c1 ZINC001032819675 786331449 /nfs/dbraw/zinc/33/14/49/786331449.db2.gz OQWSJLAGJMOVJT-GJZGRUSLSA-N 1 2 287.338 1.072 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cncc(F)c1 ZINC001032819675 786331455 /nfs/dbraw/zinc/33/14/55/786331455.db2.gz OQWSJLAGJMOVJT-GJZGRUSLSA-N 1 2 287.338 1.072 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000884610991 786359413 /nfs/dbraw/zinc/35/94/13/786359413.db2.gz AFHIVZCVZYWWGX-VIFPVBQESA-N 1 2 266.326 1.561 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000884610991 786359417 /nfs/dbraw/zinc/35/94/17/786359417.db2.gz AFHIVZCVZYWWGX-VIFPVBQESA-N 1 2 266.326 1.561 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001035458113 786366022 /nfs/dbraw/zinc/36/60/22/786366022.db2.gz ZBYULSIKUHRRKT-XUWVNRHRSA-N 1 2 292.423 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001035458113 786366029 /nfs/dbraw/zinc/36/60/29/786366029.db2.gz ZBYULSIKUHRRKT-XUWVNRHRSA-N 1 2 292.423 1.816 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CC(C)C1)CO2 ZINC001053771201 786452470 /nfs/dbraw/zinc/45/24/70/786452470.db2.gz GDKARWTUNSGYMB-JXQTWKCFSA-N 1 2 276.380 1.015 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccccc1)CO2 ZINC001053724677 786492140 /nfs/dbraw/zinc/49/21/40/786492140.db2.gz NMLCEFOVJLJENJ-HNNXBMFYSA-N 1 2 286.375 1.836 20 30 CDEDLO CCC(=[NH+]NC(=S)N[C@@H](C)COC)c1ccc(N)cc1 ZINC000863067590 786576949 /nfs/dbraw/zinc/57/69/49/786576949.db2.gz DEJIOWOFQYOREK-JTQLQIEISA-N 1 2 294.424 1.882 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001017564158 786613877 /nfs/dbraw/zinc/61/38/77/786613877.db2.gz USLIWUBBEPGLDP-VVLHAWIVSA-N 1 2 295.386 1.494 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001017564158 786613883 /nfs/dbraw/zinc/61/38/83/786613883.db2.gz USLIWUBBEPGLDP-VVLHAWIVSA-N 1 2 295.386 1.494 20 30 CDEDLO CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001050869632 786803282 /nfs/dbraw/zinc/80/32/82/786803282.db2.gz WIDGDBWQKAOVEI-ZDUSSCGKSA-N 1 2 290.367 1.117 20 30 CDEDLO CCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001050869632 786803283 /nfs/dbraw/zinc/80/32/83/786803283.db2.gz WIDGDBWQKAOVEI-ZDUSSCGKSA-N 1 2 290.367 1.117 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(C)nc1C1CC1 ZINC001038971577 786811736 /nfs/dbraw/zinc/81/17/36/786811736.db2.gz FZKADCHHZUVMNO-ZDUSSCGKSA-N 1 2 284.363 1.100 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(C)nc1C1CC1 ZINC001038971577 786811743 /nfs/dbraw/zinc/81/17/43/786811743.db2.gz FZKADCHHZUVMNO-ZDUSSCGKSA-N 1 2 284.363 1.100 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2nncc3ccccc32)C1 ZINC001043308603 786831169 /nfs/dbraw/zinc/83/11/69/786831169.db2.gz UTISIWZZKPHHJK-UHFFFAOYSA-N 1 2 296.374 1.962 20 30 CDEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)CC1(O)CCCCC1 ZINC000878639779 786855268 /nfs/dbraw/zinc/85/52/68/786855268.db2.gz VBFYFGYLXQLTBM-AWEZNQCLSA-N 1 2 266.385 1.834 20 30 CDEDLO C=CC[N@H+](CCC#N)C[C@@H](O)CC1(O)CCCCC1 ZINC000878639779 786855271 /nfs/dbraw/zinc/85/52/71/786855271.db2.gz VBFYFGYLXQLTBM-AWEZNQCLSA-N 1 2 266.385 1.834 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cnccc2c1 ZINC001032715158 786857924 /nfs/dbraw/zinc/85/79/24/786857924.db2.gz PHONVGDYYRRVFL-IRXDYDNUSA-N 1 2 291.354 1.767 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cnccc2c1 ZINC001032715158 786857925 /nfs/dbraw/zinc/85/79/25/786857925.db2.gz PHONVGDYYRRVFL-IRXDYDNUSA-N 1 2 291.354 1.767 20 30 CDEDLO CCN(C)c1ccc(C=[NH+]Nc2nc(C)cc(=O)[nH]2)cn1 ZINC000790136139 786866640 /nfs/dbraw/zinc/86/66/40/786866640.db2.gz BCNDSTFVVMMDRQ-UHFFFAOYSA-N 1 2 286.339 1.788 20 30 CDEDLO Cc1nc(N[C@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)cc[nH+]1 ZINC001059601707 786867949 /nfs/dbraw/zinc/86/79/49/786867949.db2.gz AZYLPVKMCCGKQS-TXEJJXNPSA-N 1 2 296.334 1.358 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001051073029 786879622 /nfs/dbraw/zinc/87/96/22/786879622.db2.gz SCWJXHNATWKGGF-OAHLLOKOSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001051073029 786879623 /nfs/dbraw/zinc/87/96/23/786879623.db2.gz SCWJXHNATWKGGF-OAHLLOKOSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(CC)n1 ZINC001017486842 786898801 /nfs/dbraw/zinc/89/88/01/786898801.db2.gz AHXQGFAPQZBGCQ-TXEJJXNPSA-N 1 2 275.352 1.712 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(CC)n1 ZINC001017486842 786898807 /nfs/dbraw/zinc/89/88/07/786898807.db2.gz AHXQGFAPQZBGCQ-TXEJJXNPSA-N 1 2 275.352 1.712 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(N)=O)s1 ZINC001038812216 787070594 /nfs/dbraw/zinc/07/05/94/787070594.db2.gz RQQDACVWUFMFIH-JTQLQIEISA-N 1 2 293.392 1.227 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1ccc(C(N)=O)s1 ZINC001038812216 787070604 /nfs/dbraw/zinc/07/06/04/787070604.db2.gz RQQDACVWUFMFIH-JTQLQIEISA-N 1 2 293.392 1.227 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NCCn1cnc(C#N)n1 ZINC000853618776 787276636 /nfs/dbraw/zinc/27/66/36/787276636.db2.gz MZIHPNGGEGSBHA-UHFFFAOYSA-N 1 2 296.334 1.449 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](CN2C(=O)CC3(CCC3)C2=O)C1 ZINC000853524779 787276995 /nfs/dbraw/zinc/27/69/95/787276995.db2.gz QEZDSURESLYULF-GFCCVEGCSA-N 1 2 275.352 1.499 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](CN2C(=O)CC3(CCC3)C2=O)C1 ZINC000853524779 787277012 /nfs/dbraw/zinc/27/70/12/787277012.db2.gz QEZDSURESLYULF-GFCCVEGCSA-N 1 2 275.352 1.499 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC2(F)F)C1 ZINC001035407661 787326056 /nfs/dbraw/zinc/32/60/56/787326056.db2.gz BIZAPBNVGGDSPB-RYUDHWBXSA-N 1 2 288.338 1.425 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC2(F)F)C1 ZINC001035407661 787326070 /nfs/dbraw/zinc/32/60/70/787326070.db2.gz BIZAPBNVGGDSPB-RYUDHWBXSA-N 1 2 288.338 1.425 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cccc(C)c1C ZINC000884044789 787339430 /nfs/dbraw/zinc/33/94/30/787339430.db2.gz VSUXOVZTJAMSHS-LBPRGKRZSA-N 1 2 276.336 1.689 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCOC[C@H]1C ZINC001017912336 787365745 /nfs/dbraw/zinc/36/57/45/787365745.db2.gz DPGNYTHHLXQDPZ-LVQVYYBASA-N 1 2 290.407 1.358 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCOC[C@H]1C ZINC001017912336 787365748 /nfs/dbraw/zinc/36/57/48/787365748.db2.gz DPGNYTHHLXQDPZ-LVQVYYBASA-N 1 2 290.407 1.358 20 30 CDEDLO CC(=O)NCC[N@@H+](C)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000842632096 787366570 /nfs/dbraw/zinc/36/65/70/787366570.db2.gz TWHFIWSHOXCIEE-UHFFFAOYSA-N 1 2 297.362 1.447 20 30 CDEDLO CC(=O)NCC[N@H+](C)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000842632096 787366579 /nfs/dbraw/zinc/36/65/79/787366579.db2.gz TWHFIWSHOXCIEE-UHFFFAOYSA-N 1 2 297.362 1.447 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC001030665663 787373702 /nfs/dbraw/zinc/37/37/02/787373702.db2.gz NXIHDOOVFHHZFV-CYBMUJFWSA-N 1 2 264.369 1.015 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC(F)(F)C1 ZINC001017603532 787390886 /nfs/dbraw/zinc/39/08/86/787390886.db2.gz PNECQYCZRSOMAA-RWMBFGLXSA-N 1 2 282.334 1.730 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC(F)(F)C1 ZINC001017603532 787390901 /nfs/dbraw/zinc/39/09/01/787390901.db2.gz PNECQYCZRSOMAA-RWMBFGLXSA-N 1 2 282.334 1.730 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)C(C)C)C2)C1 ZINC000972583336 787410770 /nfs/dbraw/zinc/41/07/70/787410770.db2.gz UJVOPMQHIASKKY-HOCLYGCPSA-N 1 2 278.396 1.215 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)C(C)C)C2)C1 ZINC000972583336 787410794 /nfs/dbraw/zinc/41/07/94/787410794.db2.gz UJVOPMQHIASKKY-HOCLYGCPSA-N 1 2 278.396 1.215 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1nnc(-c2ccco2)o1)C(C)C ZINC000932388332 787444242 /nfs/dbraw/zinc/44/42/42/787444242.db2.gz GWOMKGYAHMDQJO-UHFFFAOYSA-N 1 2 288.307 1.612 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1nnc(-c2ccco2)o1)C(C)C ZINC000932388332 787444275 /nfs/dbraw/zinc/44/42/75/787444275.db2.gz GWOMKGYAHMDQJO-UHFFFAOYSA-N 1 2 288.307 1.612 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)[C@H]1CCCO1 ZINC000775787910 787473003 /nfs/dbraw/zinc/47/30/03/787473003.db2.gz BPXZWJLDPIUUCH-ZIAGYGMSSA-N 1 2 286.379 1.761 20 30 CDEDLO Cc1ccc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c(C#N)n1 ZINC000882350843 787522439 /nfs/dbraw/zinc/52/24/39/787522439.db2.gz LEJHHROVVVOHKN-KGLIPLIRSA-N 1 2 286.379 1.561 20 30 CDEDLO CCc1ncc(C=NNc2cc(C)[nH+]c(N)n2)s1 ZINC000872421102 787526963 /nfs/dbraw/zinc/52/69/63/787526963.db2.gz YVLQVFBOSHIBCQ-UHFFFAOYSA-N 1 2 262.342 1.832 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1Cc2ccccc2C1 ZINC001017991818 787536813 /nfs/dbraw/zinc/53/68/13/787536813.db2.gz XZMDOEVNVRWTAN-HDICACEKSA-N 1 2 294.398 1.710 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1Cc2ccccc2C1 ZINC001017991818 787536837 /nfs/dbraw/zinc/53/68/37/787536837.db2.gz XZMDOEVNVRWTAN-HDICACEKSA-N 1 2 294.398 1.710 20 30 CDEDLO C[C@H](C#N)OCC[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000801922692 787537651 /nfs/dbraw/zinc/53/76/51/787537651.db2.gz 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/nfs/dbraw/zinc/80/04/62/787800462.db2.gz HFAJDXUPYNLXQG-SNVBAGLBSA-N 1 2 265.313 1.063 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(OCC)n1 ZINC001038460495 787800463 /nfs/dbraw/zinc/80/04/63/787800463.db2.gz HFAJDXUPYNLXQG-SNVBAGLBSA-N 1 2 265.313 1.063 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2ncn(-c3ccccc3)n2)C1 ZINC001030495120 787828699 /nfs/dbraw/zinc/82/86/99/787828699.db2.gz XJZRCTOSEBOALS-UHFFFAOYSA-N 1 2 297.362 1.257 20 30 CDEDLO NC(=NOC1CCC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000814265023 787830180 /nfs/dbraw/zinc/83/01/80/787830180.db2.gz LHJNHOLNXFQEGJ-UHFFFAOYSA-N 1 2 289.379 1.708 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC001027336964 787831303 /nfs/dbraw/zinc/83/13/03/787831303.db2.gz WMJJWMZSVOKDFJ-QWHCGFSZSA-N 1 2 287.367 1.059 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC001027336964 787831304 /nfs/dbraw/zinc/83/13/04/787831304.db2.gz WMJJWMZSVOKDFJ-QWHCGFSZSA-N 1 2 287.367 1.059 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NCCNC(=O)OC ZINC000853672984 787842894 /nfs/dbraw/zinc/84/28/94/787842894.db2.gz QEZFMZNONPMMKT-UHFFFAOYSA-N 1 2 277.324 1.642 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NC[C@](C)(O)COC ZINC000853320879 787843130 /nfs/dbraw/zinc/84/31/30/787843130.db2.gz HHMFROPOYYCNIR-HNNXBMFYSA-N 1 2 278.352 1.683 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000980848383 787857787 /nfs/dbraw/zinc/85/77/87/787857787.db2.gz VNKQYHTXLPKKTN-MRXNPFEDSA-N 1 2 295.386 1.732 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000980848383 787857792 /nfs/dbraw/zinc/85/77/92/787857792.db2.gz VNKQYHTXLPKKTN-MRXNPFEDSA-N 1 2 295.386 1.732 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1nocc1C)CO2 ZINC001053975592 787861172 /nfs/dbraw/zinc/86/11/72/787861172.db2.gz KJNIYDWSZMSSLO-LBPRGKRZSA-N 1 2 291.351 1.132 20 30 CDEDLO CCc1ccc(C[NH+]2CCC(C#N)(C(=O)OC)CC2)nc1 ZINC000831699208 787891483 /nfs/dbraw/zinc/89/14/83/787891483.db2.gz JZBDICKEQGDXJA-UHFFFAOYSA-N 1 2 287.363 1.923 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](CC3=CCCCC3)C2)nc1 ZINC001031278757 787893173 /nfs/dbraw/zinc/89/31/73/787893173.db2.gz WZXDCQXFKFMEHF-UHFFFAOYSA-N 1 2 295.386 1.977 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)C(=O)OC(C)(C)C)CC1 ZINC000844339710 788052305 /nfs/dbraw/zinc/05/23/05/788052305.db2.gz BUJJIOSMSGLJPF-UHFFFAOYSA-N 1 2 268.357 1.048 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)[C@H]1CCCO1 ZINC000775792324 788058239 /nfs/dbraw/zinc/05/82/39/788058239.db2.gz FPWCIIDGVXNGCA-HUUCEWRRSA-N 1 2 258.296 1.968 20 30 CDEDLO C#CCC[C@H](O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC000798421788 788075410 /nfs/dbraw/zinc/07/54/10/788075410.db2.gz VVUJZEQAJKKLFM-LBPRGKRZSA-N 1 2 259.353 1.850 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1C=CC=CC=C1 ZINC001017590022 788095812 /nfs/dbraw/zinc/09/58/12/788095812.db2.gz IRKDHXCZQXYWMI-IYBDPMFKSA-N 1 2 268.360 1.593 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1C=CC=CC=C1 ZINC001017590022 788095820 /nfs/dbraw/zinc/09/58/20/788095820.db2.gz IRKDHXCZQXYWMI-IYBDPMFKSA-N 1 2 268.360 1.593 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1scnc1CC ZINC001032435605 788176144 /nfs/dbraw/zinc/17/61/44/788176144.db2.gz ZFCVGLYICNEZAW-QWRGUYRKSA-N 1 2 277.393 1.790 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1scnc1CC ZINC001032435605 788176150 /nfs/dbraw/zinc/17/61/50/788176150.db2.gz ZFCVGLYICNEZAW-QWRGUYRKSA-N 1 2 277.393 1.790 20 30 CDEDLO C#CC[C@@H](CCOC)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000858857265 788201556 /nfs/dbraw/zinc/20/15/56/788201556.db2.gz MBSVUNSJJJKASO-RYUDHWBXSA-N 1 2 278.356 1.110 20 30 CDEDLO C#CC[C@@H](CCOC)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000858857265 788201570 /nfs/dbraw/zinc/20/15/70/788201570.db2.gz MBSVUNSJJJKASO-RYUDHWBXSA-N 1 2 278.356 1.110 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H](C)C1(C)CC1 ZINC000884170842 788219438 /nfs/dbraw/zinc/21/94/38/788219438.db2.gz HGESBUBLTVZDDA-MNOVXSKESA-N 1 2 268.357 1.080 20 30 CDEDLO CC(=O)N(C)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032844685 788258346 /nfs/dbraw/zinc/25/83/46/788258346.db2.gz MALUHZKMUNMVAN-HNNXBMFYSA-N 1 2 275.327 1.750 20 30 CDEDLO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032844685 788258363 /nfs/dbraw/zinc/25/83/63/788258363.db2.gz MALUHZKMUNMVAN-HNNXBMFYSA-N 1 2 275.327 1.750 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)O[C@H]2CCC(C)(C)C2=O)CC1 ZINC000840229640 788293425 /nfs/dbraw/zinc/29/34/25/788293425.db2.gz OWBLIUQSZGMQAR-ZDUSSCGKSA-N 1 2 277.364 1.633 20 30 CDEDLO C=CC[C@H](CC)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000922336605 788351916 /nfs/dbraw/zinc/35/19/16/788351916.db2.gz ACFJUKBDCFCMSN-KBPBESRZSA-N 1 2 283.416 1.751 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2C[C@@H]2OCC)CC1 ZINC001000458956 788367245 /nfs/dbraw/zinc/36/72/45/788367245.db2.gz OOINMBJPLQEMEF-KBPBESRZSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@@H]2OCC)CC1 ZINC001000458956 788367253 /nfs/dbraw/zinc/36/72/53/788367253.db2.gz OOINMBJPLQEMEF-KBPBESRZSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C[C@H](CC)CC(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000827910443 788369005 /nfs/dbraw/zinc/36/90/05/788369005.db2.gz JZTAUAUDQIJHSB-OCCSQVGLSA-N 1 2 276.384 1.495 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccc2cccnc21 ZINC001032452132 788375154 /nfs/dbraw/zinc/37/51/54/788375154.db2.gz KCZYORIYIZPIKF-KBPBESRZSA-N 1 2 292.342 1.162 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccc2cccnc21 ZINC001032452132 788375160 /nfs/dbraw/zinc/37/51/60/788375160.db2.gz KCZYORIYIZPIKF-KBPBESRZSA-N 1 2 292.342 1.162 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CC(C)(C)O)C[C@H]21 ZINC001074229012 788393486 /nfs/dbraw/zinc/39/34/86/788393486.db2.gz IJHOQURDGYUBFM-KGLIPLIRSA-N 1 2 296.411 1.025 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CC(C)(C)O)C[C@H]21 ZINC001074229012 788393499 /nfs/dbraw/zinc/39/34/99/788393499.db2.gz IJHOQURDGYUBFM-KGLIPLIRSA-N 1 2 296.411 1.025 20 30 CDEDLO C#CCOc1cccc(OC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000840758089 788405276 /nfs/dbraw/zinc/40/52/76/788405276.db2.gz ZULNMXVRNHPVIS-CQSZACIVSA-N 1 2 288.347 1.284 20 30 CDEDLO C#CCOc1cccc(OC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000840758089 788405333 /nfs/dbraw/zinc/40/53/33/788405333.db2.gz ZULNMXVRNHPVIS-CQSZACIVSA-N 1 2 288.347 1.284 20 30 CDEDLO N#CC1CC[NH+](Cn2cc(-c3ccncn3)cn2)CC1 ZINC000848477242 788493839 /nfs/dbraw/zinc/49/38/39/788493839.db2.gz NPTFMFMORBLDDU-UHFFFAOYSA-N 1 2 268.324 1.533 20 30 CDEDLO Cc1nc(N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)cc[nH+]1 ZINC001043095105 788524154 /nfs/dbraw/zinc/52/41/54/788524154.db2.gz HVZFNDLSGPHQAP-CKYFFXLPSA-N 1 2 273.340 1.204 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccn1 ZINC001029243682 788816190 /nfs/dbraw/zinc/81/61/90/788816190.db2.gz LWWZCEFBFPKWSO-YUELXQCFSA-N 1 2 284.363 1.416 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccn1 ZINC001029243682 788816191 /nfs/dbraw/zinc/81/61/91/788816191.db2.gz LWWZCEFBFPKWSO-YUELXQCFSA-N 1 2 284.363 1.416 20 30 CDEDLO C=CC[NH+]1CC(CNC(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC001032100936 788816809 /nfs/dbraw/zinc/81/68/09/788816809.db2.gz UGNQRIXOIQPHAF-UHFFFAOYSA-N 1 2 297.362 1.319 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc[nH]2)C1 ZINC001032901965 788829301 /nfs/dbraw/zinc/82/93/01/788829301.db2.gz GSRGEVGRWINDDO-LLVKDONJSA-N 1 2 267.760 1.914 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc[nH]2)C1 ZINC001032901965 788829303 /nfs/dbraw/zinc/82/93/03/788829303.db2.gz GSRGEVGRWINDDO-LLVKDONJSA-N 1 2 267.760 1.914 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc3cnccc3n2)C1 ZINC001043972896 788829906 /nfs/dbraw/zinc/82/99/06/788829906.db2.gz TYBVGOUHHWVLNW-UHFFFAOYSA-N 1 2 296.374 1.962 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)C(C)(C)C ZINC001039349279 788833138 /nfs/dbraw/zinc/83/31/38/788833138.db2.gz SHMCRTGGRCARIU-OLZOCXBDSA-N 1 2 276.380 1.300 20 30 CDEDLO C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)C(C)(C)C ZINC001039349279 788833143 /nfs/dbraw/zinc/83/31/43/788833143.db2.gz SHMCRTGGRCARIU-OLZOCXBDSA-N 1 2 276.380 1.300 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ncsc2C2CC2)C1 ZINC001043856972 788837055 /nfs/dbraw/zinc/83/70/55/788837055.db2.gz OOJUDIQOHIGXLG-UHFFFAOYSA-N 1 2 289.404 1.800 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1cccc(C)c1 ZINC001032779278 788841968 /nfs/dbraw/zinc/84/19/68/788841968.db2.gz HAQRYCOYVKIGSS-HOTGVXAUSA-N 1 2 298.386 1.682 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1cccc(C)c1 ZINC001032779278 788841970 /nfs/dbraw/zinc/84/19/70/788841970.db2.gz HAQRYCOYVKIGSS-HOTGVXAUSA-N 1 2 298.386 1.682 20 30 CDEDLO C#CC[NH+]1CCN(c2cc(O[C@@H](C)CC)nc(C)n2)CC1 ZINC000858337930 788880051 /nfs/dbraw/zinc/88/00/51/788880051.db2.gz PKLAFJIXBZQVEB-ZDUSSCGKSA-N 1 2 288.395 1.718 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2oc(C)nc2C)C1 ZINC000923575629 788881630 /nfs/dbraw/zinc/88/16/30/788881630.db2.gz YOULZIYVLNDTPB-LBPRGKRZSA-N 1 2 261.325 1.119 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2oc(C)nc2C)C1 ZINC000923575629 788881631 /nfs/dbraw/zinc/88/16/31/788881631.db2.gz YOULZIYVLNDTPB-LBPRGKRZSA-N 1 2 261.325 1.119 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(Cl)cn2)C1 ZINC001044211500 788884433 /nfs/dbraw/zinc/88/44/33/788884433.db2.gz LZWCRYYTUXSQKF-UHFFFAOYSA-N 1 2 277.755 1.515 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCCCC1(C)C ZINC000884142329 789082643 /nfs/dbraw/zinc/08/26/43/789082643.db2.gz XDBOZVIRPRNQEA-RYUDHWBXSA-N 1 2 282.384 1.518 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(F)cncc1F ZINC001038296414 789089006 /nfs/dbraw/zinc/08/90/06/789089006.db2.gz FFPGSGAJQMFJRR-SNVBAGLBSA-N 1 2 279.290 1.187 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(F)cncc1F ZINC001038296414 789089017 /nfs/dbraw/zinc/08/90/17/789089017.db2.gz FFPGSGAJQMFJRR-SNVBAGLBSA-N 1 2 279.290 1.187 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2[nH]nc3c2CCC3)CC[C@H]1C ZINC001071639859 789091103 /nfs/dbraw/zinc/09/11/03/789091103.db2.gz XMBKASAAGHKPSX-NEPJUHHUSA-N 1 2 288.395 1.667 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2[nH]nc3c2CCC3)CC[C@H]1C ZINC001071639859 789091118 /nfs/dbraw/zinc/09/11/18/789091118.db2.gz XMBKASAAGHKPSX-NEPJUHHUSA-N 1 2 288.395 1.667 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC001038415486 789144031 /nfs/dbraw/zinc/14/40/31/789144031.db2.gz GRRCOZQSVZZNAY-NPCAHTBFSA-N 1 2 260.381 1.781 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC001038415486 789144082 /nfs/dbraw/zinc/14/40/82/789144082.db2.gz GRRCOZQSVZZNAY-NPCAHTBFSA-N 1 2 260.381 1.781 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccn(C)c2C)C1 ZINC001015663980 789190928 /nfs/dbraw/zinc/19/09/28/789190928.db2.gz RYLOLBGXWMLKIR-GFCCVEGCSA-N 1 2 281.787 1.890 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(C)c2C)C1 ZINC001015663980 789190944 /nfs/dbraw/zinc/19/09/44/789190944.db2.gz RYLOLBGXWMLKIR-GFCCVEGCSA-N 1 2 281.787 1.890 20 30 CDEDLO c1ccc(N2CCC(=NN[C@@H]3CCCOC3)CC2)[nH+]c1 ZINC000780257607 789224712 /nfs/dbraw/zinc/22/47/12/789224712.db2.gz JUGUMPYHSDXDBC-CQSZACIVSA-N 1 2 274.368 1.806 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927079039 789276185 /nfs/dbraw/zinc/27/61/85/789276185.db2.gz ZQVYOBNAOMYHAQ-INIZCTEOSA-N 1 2 289.379 1.812 20 30 CDEDLO C#CCOCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000851880556 789302561 /nfs/dbraw/zinc/30/25/61/789302561.db2.gz BKIUASDBQIPTNV-MRXNPFEDSA-N 1 2 270.332 1.581 20 30 CDEDLO C#CCOCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000851880556 789302572 /nfs/dbraw/zinc/30/25/72/789302572.db2.gz BKIUASDBQIPTNV-MRXNPFEDSA-N 1 2 270.332 1.581 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cccc(F)c2)C1 ZINC001031353180 789308793 /nfs/dbraw/zinc/30/87/93/789308793.db2.gz QRVZGWAZYCHPSX-UHFFFAOYSA-N 1 2 262.328 1.745 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ncccc2CC)C1 ZINC001035418682 789318003 /nfs/dbraw/zinc/31/80/03/789318003.db2.gz CUQOUAGPBZTKNE-CQSZACIVSA-N 1 2 289.379 1.261 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ncccc2CC)C1 ZINC001035418682 789318013 /nfs/dbraw/zinc/31/80/13/789318013.db2.gz CUQOUAGPBZTKNE-CQSZACIVSA-N 1 2 289.379 1.261 20 30 CDEDLO C=C1CC(C)(C(=O)NC2C[NH+](C[C@@H](C)OC)C2)C1 ZINC001030924368 789351453 /nfs/dbraw/zinc/35/14/53/789351453.db2.gz OUXMMIBWNNQZLN-LLVKDONJSA-N 1 2 252.358 1.178 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCO[C@H]3C)cc2C1 ZINC001054286469 789382926 /nfs/dbraw/zinc/38/29/26/789382926.db2.gz GEISYDJWPCGXRD-SUMWQHHRSA-N 1 2 298.386 1.677 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCO[C@H]3C)cc2C1 ZINC001054286469 789382933 /nfs/dbraw/zinc/38/29/33/789382933.db2.gz GEISYDJWPCGXRD-SUMWQHHRSA-N 1 2 298.386 1.677 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001031223536 789395612 /nfs/dbraw/zinc/39/56/12/789395612.db2.gz KAGCSAUZUGIARN-UHFFFAOYSA-N 1 2 276.384 1.832 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CCOCC1 ZINC001032704084 789432214 /nfs/dbraw/zinc/43/22/14/789432214.db2.gz DUASKMBEJHWBSN-GJZGRUSLSA-N 1 2 290.407 1.502 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CCOCC1 ZINC001032704084 789432244 /nfs/dbraw/zinc/43/22/44/789432244.db2.gz DUASKMBEJHWBSN-GJZGRUSLSA-N 1 2 290.407 1.502 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](Cn2cnc(-c3ccccn3)n2)C1 ZINC000853523892 789449583 /nfs/dbraw/zinc/44/95/83/789449583.db2.gz IIZMEXIDEWFPAS-ZDUSSCGKSA-N 1 2 282.351 1.923 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](Cn2cnc(-c3ccccn3)n2)C1 ZINC000853523892 789449611 /nfs/dbraw/zinc/44/96/11/789449611.db2.gz IIZMEXIDEWFPAS-ZDUSSCGKSA-N 1 2 282.351 1.923 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC34CCC4)C2)C1 ZINC000972577767 789484040 /nfs/dbraw/zinc/48/40/40/789484040.db2.gz NUAKTNMHFDQSAU-PBHICJAKSA-N 1 2 288.391 1.113 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC34CCC4)C2)C1 ZINC000972577767 789484058 /nfs/dbraw/zinc/48/40/58/789484058.db2.gz NUAKTNMHFDQSAU-PBHICJAKSA-N 1 2 288.391 1.113 20 30 CDEDLO C#CCCCCCC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000780527400 789540148 /nfs/dbraw/zinc/54/01/48/789540148.db2.gz AVVDIDHVCGREPT-OAHLLOKOSA-N 1 2 279.428 1.322 20 30 CDEDLO C#CC[N@@H+](CC#CC)C[C@H]1CN(c2ccccc2)CCO1 ZINC000846808005 789565668 /nfs/dbraw/zinc/56/56/68/789565668.db2.gz YFTMKNSJQSYTIV-SFHVURJKSA-N 1 2 282.387 1.850 20 30 CDEDLO C#CC[N@H+](CC#CC)C[C@H]1CN(c2ccccc2)CCO1 ZINC000846808005 789565677 /nfs/dbraw/zinc/56/56/77/789565677.db2.gz YFTMKNSJQSYTIV-SFHVURJKSA-N 1 2 282.387 1.850 20 30 CDEDLO O=C(C#Cc1cccs1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000827636649 789625122 /nfs/dbraw/zinc/62/51/22/789625122.db2.gz WRZILRDTRHBLNF-ZDUSSCGKSA-N 1 2 297.383 1.890 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC[C@@H](C)C1)CCO2 ZINC001053459261 789640801 /nfs/dbraw/zinc/64/08/01/789640801.db2.gz KNDDEXRJUUGKPH-CABCVRRESA-N 1 2 292.423 1.912 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CC2CC(OCC)C2)C1 ZINC001043604893 789642847 /nfs/dbraw/zinc/64/28/47/789642847.db2.gz OHYBYEUNNLCPPH-UHFFFAOYSA-N 1 2 280.412 1.910 20 30 CDEDLO CC#CC[N@@H+]1CC[C@](C)(NC(=O)c2cccc3nc[nH]c32)C1 ZINC001046719640 789726010 /nfs/dbraw/zinc/72/60/10/789726010.db2.gz NLLMSXPBJQGEMT-KRWDZBQOSA-N 1 2 296.374 1.780 20 30 CDEDLO CC#CC[N@H+]1CC[C@](C)(NC(=O)c2cccc3nc[nH]c32)C1 ZINC001046719640 789726016 /nfs/dbraw/zinc/72/60/16/789726016.db2.gz NLLMSXPBJQGEMT-KRWDZBQOSA-N 1 2 296.374 1.780 20 30 CDEDLO N#Cc1cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccnc2)c[nH]1 ZINC001038174389 789769314 /nfs/dbraw/zinc/76/93/14/789769314.db2.gz GJCYDXYGNKYEGL-OAHLLOKOSA-N 1 2 295.346 1.286 20 30 CDEDLO N#Cc1cc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccnc2)c[nH]1 ZINC001038174389 789769322 /nfs/dbraw/zinc/76/93/22/789769322.db2.gz GJCYDXYGNKYEGL-OAHLLOKOSA-N 1 2 295.346 1.286 20 30 CDEDLO O=C(C#CC1CC1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000837324292 789770422 /nfs/dbraw/zinc/77/04/22/789770422.db2.gz WHIWXVFBCSWBJT-UHFFFAOYSA-N 1 2 279.343 1.961 20 30 CDEDLO C#C[C@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000826547684 789811859 /nfs/dbraw/zinc/81/18/59/789811859.db2.gz DCXRAEZKMZIJHT-CABCVRRESA-N 1 2 294.358 1.872 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001043961075 789828114 /nfs/dbraw/zinc/82/81/14/789828114.db2.gz XCGCWWVNUYSFIS-UHFFFAOYSA-N 1 2 272.352 1.067 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001033017006 789844981 /nfs/dbraw/zinc/84/49/81/789844981.db2.gz FFWPMRYCRCRDTE-GFCCVEGCSA-N 1 2 292.770 1.785 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001033017006 789844984 /nfs/dbraw/zinc/84/49/84/789844984.db2.gz FFWPMRYCRCRDTE-GFCCVEGCSA-N 1 2 292.770 1.785 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000839105846 789848431 /nfs/dbraw/zinc/84/84/31/789848431.db2.gz VWZKXHFXHLJQKT-ABAIWWIYSA-N 1 2 283.368 1.768 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000839105846 789848432 /nfs/dbraw/zinc/84/84/32/789848432.db2.gz VWZKXHFXHLJQKT-ABAIWWIYSA-N 1 2 283.368 1.768 20 30 CDEDLO C[NH+]1CCN(C(=O)[C@H](C#N)Cc2cccs2)CC1 ZINC000049854171 1166597399 /nfs/dbraw/zinc/59/73/99/1166597399.db2.gz RYXRJEWUJQODQR-NSHDSACASA-N 1 2 263.366 1.204 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c1 ZINC001232673255 912380582 /nfs/dbraw/zinc/38/05/82/912380582.db2.gz DBDNCGWGJRDFEY-DGCLKSJQSA-N 1 2 250.273 1.169 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H](F)[C@H](O)C2)c1 ZINC001232673255 912380595 /nfs/dbraw/zinc/38/05/95/912380595.db2.gz DBDNCGWGJRDFEY-DGCLKSJQSA-N 1 2 250.273 1.169 20 30 CDEDLO C[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2O)[C@@H]1CO ZINC001232674045 912383361 /nfs/dbraw/zinc/38/33/61/912383361.db2.gz QOFMMFGAEQHMQM-SMDDNHRTSA-N 1 2 260.337 1.857 20 30 CDEDLO C[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2O)[C@@H]1CO ZINC001232674045 912383380 /nfs/dbraw/zinc/38/33/80/912383380.db2.gz QOFMMFGAEQHMQM-SMDDNHRTSA-N 1 2 260.337 1.857 20 30 CDEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(C)s1)C2 ZINC001095228149 912639735 /nfs/dbraw/zinc/63/97/35/912639735.db2.gz NEVRQZLQUBWOJG-AGIUHOORSA-N 1 2 289.404 1.810 20 30 CDEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(C)s1)C2 ZINC001095228149 912639742 /nfs/dbraw/zinc/63/97/42/912639742.db2.gz NEVRQZLQUBWOJG-AGIUHOORSA-N 1 2 289.404 1.810 20 30 CDEDLO CCC(C#N)(CC)[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173750345 912788517 /nfs/dbraw/zinc/78/85/17/912788517.db2.gz NJXVFHIYTCPFQX-VXGBXAGGSA-N 1 2 262.361 1.829 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ccoc1Cl ZINC001038206413 895725516 /nfs/dbraw/zinc/72/55/16/895725516.db2.gz XWGYDYFSKJXITB-VIFPVBQESA-N 1 2 254.717 1.923 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ccoc1Cl ZINC001038206413 895725527 /nfs/dbraw/zinc/72/55/27/895725527.db2.gz XWGYDYFSKJXITB-VIFPVBQESA-N 1 2 254.717 1.923 20 30 CDEDLO COc1nc(NC2CN(c3cccc[nH+]3)C2)c(F)cc1C#N ZINC001161322737 895730140 /nfs/dbraw/zinc/73/01/40/895730140.db2.gz MZYNZUYSYULCAC-UHFFFAOYSA-N 1 2 299.309 1.797 20 30 CDEDLO Cc1c[nH]c(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)n1 ZINC001480922721 897031359 /nfs/dbraw/zinc/03/13/59/897031359.db2.gz QOMPGUQSFFMSBD-UHFFFAOYSA-N 1 2 297.362 1.452 20 30 CDEDLO Cc1c[nH]c(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)n1 ZINC001480922721 897031366 /nfs/dbraw/zinc/03/13/66/897031366.db2.gz QOMPGUQSFFMSBD-UHFFFAOYSA-N 1 2 297.362 1.452 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC001031235009 914185279 /nfs/dbraw/zinc/18/52/79/914185279.db2.gz LNDDDKBVWQABPY-UHFFFAOYSA-N 1 2 276.384 1.697 20 30 CDEDLO COC(=O)C[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000179395988 898008808 /nfs/dbraw/zinc/00/88/08/898008808.db2.gz QECHVFHUXQMVND-UHFFFAOYSA-N 1 2 275.352 1.641 20 30 CDEDLO COC(=O)C[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000179395988 898008825 /nfs/dbraw/zinc/00/88/25/898008825.db2.gz QECHVFHUXQMVND-UHFFFAOYSA-N 1 2 275.352 1.641 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC001024453325 898065820 /nfs/dbraw/zinc/06/58/20/898065820.db2.gz VTFRPINDKUZXHN-GUTXKFCHSA-N 1 2 298.814 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC001024453325 898065831 /nfs/dbraw/zinc/06/58/31/898065831.db2.gz VTFRPINDKUZXHN-GUTXKFCHSA-N 1 2 298.814 1.746 20 30 CDEDLO C[C@@H](CNC(=O)CCn1cc[nH+]c1)Nc1ncccc1C#N ZINC001098168332 898671334 /nfs/dbraw/zinc/67/13/34/898671334.db2.gz ZWGWZRKXZNEGDY-LBPRGKRZSA-N 1 2 298.350 1.157 20 30 CDEDLO N#Cc1ccc(F)c(F)c1NC(=O)Cc1c[nH]c[nH+]1 ZINC001176833485 914293164 /nfs/dbraw/zinc/29/31/64/914293164.db2.gz MJWXKMUOCCMMRQ-UHFFFAOYSA-N 1 2 262.219 1.741 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCOCC)C[C@@H]21 ZINC001176949369 914396195 /nfs/dbraw/zinc/39/61/95/914396195.db2.gz MRMLDZKEWGLANE-LSDHHAIUSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCOCC)C[C@@H]21 ZINC001176949369 914396207 /nfs/dbraw/zinc/39/62/07/914396207.db2.gz MRMLDZKEWGLANE-LSDHHAIUSA-N 1 2 296.411 1.291 20 30 CDEDLO C#CCC1(C(=O)N2CC[C@@H]3OCC[N@@H+](CC)[C@@H]3C2)CCC1 ZINC001177031702 914439594 /nfs/dbraw/zinc/43/95/94/914439594.db2.gz WUINIQUZLWXQRW-CABCVRRESA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCC1(C(=O)N2CC[C@@H]3OCC[N@H+](CC)[C@@H]3C2)CCC1 ZINC001177031702 914439601 /nfs/dbraw/zinc/43/96/01/914439601.db2.gz WUINIQUZLWXQRW-CABCVRRESA-N 1 2 290.407 1.502 20 30 CDEDLO C#CC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC001027678801 900736254 /nfs/dbraw/zinc/73/62/54/900736254.db2.gz PQLIOIJHUGJOFQ-ZDUSSCGKSA-N 1 2 297.362 1.128 20 30 CDEDLO C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC001027678801 900736259 /nfs/dbraw/zinc/73/62/59/900736259.db2.gz PQLIOIJHUGJOFQ-ZDUSSCGKSA-N 1 2 297.362 1.128 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001031489994 914668925 /nfs/dbraw/zinc/66/89/25/914668925.db2.gz ZMILANXZSAEFAW-UHFFFAOYSA-N 1 2 262.397 1.882 20 30 CDEDLO CCCCCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001211860365 905168867 /nfs/dbraw/zinc/16/88/67/905168867.db2.gz ZTFKQZMFRSTBMP-HUUCEWRRSA-N 1 2 296.411 1.032 20 30 CDEDLO CCCCCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001211860365 905168875 /nfs/dbraw/zinc/16/88/75/905168875.db2.gz ZTFKQZMFRSTBMP-HUUCEWRRSA-N 1 2 296.411 1.032 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)C[C@@H]2C1 ZINC001087973234 906072493 /nfs/dbraw/zinc/07/24/93/906072493.db2.gz PUXVSPJXZLSXCY-OUAUKWLOSA-N 1 2 294.292 1.853 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)C[C@@H]2C1 ZINC001087973234 906072505 /nfs/dbraw/zinc/07/25/05/906072505.db2.gz PUXVSPJXZLSXCY-OUAUKWLOSA-N 1 2 294.292 1.853 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)C(F)(F)F)C[C@@H]2C1 ZINC001087973234 906072517 /nfs/dbraw/zinc/07/25/17/906072517.db2.gz PUXVSPJXZLSXCY-OUAUKWLOSA-N 1 2 294.292 1.853 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)C(F)(F)F)C[C@@H]2C1 ZINC001087973234 906072527 /nfs/dbraw/zinc/07/25/27/906072527.db2.gz PUXVSPJXZLSXCY-OUAUKWLOSA-N 1 2 294.292 1.853 20 30 CDEDLO C=C(C)C(=O)OCCNc1cc[nH+]c(OCCOC)c1 ZINC001168077234 906729965 /nfs/dbraw/zinc/72/99/65/906729965.db2.gz WFRGKSUMBCJGQX-UHFFFAOYSA-N 1 2 280.324 1.638 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)o2)[C@@H](O)C1 ZINC001090052033 921489392 /nfs/dbraw/zinc/48/93/92/921489392.db2.gz UTZHONGOGTVXCR-RYUDHWBXSA-N 1 2 298.770 1.506 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)o2)[C@@H](O)C1 ZINC001090052033 921489395 /nfs/dbraw/zinc/48/93/95/921489395.db2.gz UTZHONGOGTVXCR-RYUDHWBXSA-N 1 2 298.770 1.506 20 30 CDEDLO Cc1ncc(C#N)cc1NC(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001142626152 909639116 /nfs/dbraw/zinc/63/91/16/909639116.db2.gz FSSUBFNPIUDTQG-CQSZACIVSA-N 1 2 270.336 1.685 20 30 CDEDLO C=CC[C@@](C)([NH2+][C@H]1CCN(C2CC2)C(=O)C1)C(=O)OC ZINC001172017687 911110926 /nfs/dbraw/zinc/11/09/26/911110926.db2.gz YTSLGVCGORLZBC-XHDPSFHLSA-N 1 2 280.368 1.237 20 30 CDEDLO C[C@@H](Cc1ccc(C#N)cc1)N1CC[NH2+]C[C@@H]1C#N ZINC001172315400 911555341 /nfs/dbraw/zinc/55/53/41/911555341.db2.gz OLJFTHITOWIEKN-WFASDCNBSA-N 1 2 254.337 1.287 20 30 CDEDLO Cn1c[nH+]c2c1CCN(Cc1cc(C#N)ccn1)C2 ZINC001232480515 912209978 /nfs/dbraw/zinc/20/99/78/912209978.db2.gz ZSYKSCGMAOXIIE-UHFFFAOYSA-N 1 2 253.309 1.245 20 30 CDEDLO N#Cc1ccc2c(c1)CCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001177993857 915116087 /nfs/dbraw/zinc/11/60/87/915116087.db2.gz OZTPHTQLKZYERB-UHFFFAOYSA-N 1 2 280.331 1.799 20 30 CDEDLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(C#N)cc1O ZINC001178695943 915581431 /nfs/dbraw/zinc/58/14/31/915581431.db2.gz AFWNNZONWRAMTC-LBPRGKRZSA-N 1 2 259.309 1.687 20 30 CDEDLO C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(C#N)cc1O ZINC001178695943 915581441 /nfs/dbraw/zinc/58/14/41/915581441.db2.gz AFWNNZONWRAMTC-LBPRGKRZSA-N 1 2 259.309 1.687 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001097722489 936355301 /nfs/dbraw/zinc/35/53/01/936355301.db2.gz DBLONZPRENAQKH-NWDGAFQWSA-N 1 2 292.383 1.683 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cnn2cc[nH]c12 ZINC001485377782 916916414 /nfs/dbraw/zinc/91/64/14/916916414.db2.gz MOBVILIITJNNQK-SNVBAGLBSA-N 1 2 295.774 1.465 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cnn2cc[nH]c12 ZINC001485377782 916916424 /nfs/dbraw/zinc/91/64/24/916916424.db2.gz MOBVILIITJNNQK-SNVBAGLBSA-N 1 2 295.774 1.465 20 30 CDEDLO Cc1nc(NC/C=C/CNC(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001107130541 918164475 /nfs/dbraw/zinc/16/44/75/918164475.db2.gz QADRLSZJQAPCKX-NSCUHMNNSA-N 1 2 296.334 1.383 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2[nH]c(C)cc2C)CC1 ZINC001137333645 936487670 /nfs/dbraw/zinc/48/76/70/936487670.db2.gz OBJZSPCVTIFHLH-UHFFFAOYSA-N 1 2 275.352 1.910 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2CCC2)C1 ZINC001107677575 918591098 /nfs/dbraw/zinc/59/10/98/918591098.db2.gz LRKDUYCFPBJIEJ-CQSZACIVSA-N 1 2 252.358 1.180 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2CCC2)C1 ZINC001107677575 918591110 /nfs/dbraw/zinc/59/11/10/918591110.db2.gz LRKDUYCFPBJIEJ-CQSZACIVSA-N 1 2 252.358 1.180 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2=COCCC2)C1 ZINC001107803604 918813326 /nfs/dbraw/zinc/81/33/26/918813326.db2.gz CWSCNARVNAVXRR-HNNXBMFYSA-N 1 2 280.368 1.074 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2=COCCC2)C1 ZINC001107803604 918813338 /nfs/dbraw/zinc/81/33/38/918813338.db2.gz CWSCNARVNAVXRR-HNNXBMFYSA-N 1 2 280.368 1.074 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)/C=C/C(C)(C)C)C1 ZINC001107821655 918830075 /nfs/dbraw/zinc/83/00/75/918830075.db2.gz SPXGMGHVISXAGQ-KBOKABMXSA-N 1 2 292.423 1.819 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)/C=C/C(C)(C)C)C1 ZINC001107821655 918830091 /nfs/dbraw/zinc/83/00/91/918830091.db2.gz SPXGMGHVISXAGQ-KBOKABMXSA-N 1 2 292.423 1.819 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C(F)=C(C)C)C1 ZINC001107866806 918928611 /nfs/dbraw/zinc/92/86/11/918928611.db2.gz VVTQWLJPKRADIX-OAHLLOKOSA-N 1 2 282.359 1.480 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C(F)=C(C)C)C1 ZINC001107866806 918928621 /nfs/dbraw/zinc/92/86/21/918928621.db2.gz VVTQWLJPKRADIX-OAHLLOKOSA-N 1 2 282.359 1.480 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CNc1ccc(C#N)nc1 ZINC001107869365 918939913 /nfs/dbraw/zinc/93/99/13/918939913.db2.gz WRFRMAORKFLDPX-SNVBAGLBSA-N 1 2 298.350 1.144 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001051103218 936568962 /nfs/dbraw/zinc/56/89/62/936568962.db2.gz PAPZTQBHBADKKK-ZOBUZTSGSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001051103218 936568964 /nfs/dbraw/zinc/56/89/64/936568964.db2.gz PAPZTQBHBADKKK-ZOBUZTSGSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CCN1CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC001138865458 936576519 /nfs/dbraw/zinc/57/65/19/936576519.db2.gz AGIQNGBWGDTAES-UHFFFAOYSA-N 1 2 268.364 1.933 20 30 CDEDLO CC[C@H](CC#N)N1CCN(c2cc[nH+]c(OC)c2)CC1 ZINC001255177339 936587248 /nfs/dbraw/zinc/58/72/48/936587248.db2.gz QFCKBPVFOCJNPX-CYBMUJFWSA-N 1 2 274.368 1.904 20 30 CDEDLO C=CCCCC(=O)N1CC[C@@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC001185296179 919527981 /nfs/dbraw/zinc/52/79/81/919527981.db2.gz JLIXVWXUXVOPGF-GFCCVEGCSA-N 1 2 292.383 1.679 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1OCC ZINC001032761018 919976934 /nfs/dbraw/zinc/97/69/34/919976934.db2.gz CHMDSDJOQPEVQK-STQMWFEESA-N 1 2 285.347 1.012 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1OCC ZINC001032761018 919976946 /nfs/dbraw/zinc/97/69/46/919976946.db2.gz CHMDSDJOQPEVQK-STQMWFEESA-N 1 2 285.347 1.012 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2CCC)C1 ZINC001078001771 920045440 /nfs/dbraw/zinc/04/54/40/920045440.db2.gz KPIPBQBTZYHYIL-ZIAGYGMSSA-N 1 2 290.363 1.030 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2CCC)C1 ZINC001078001771 920045454 /nfs/dbraw/zinc/04/54/54/920045454.db2.gz KPIPBQBTZYHYIL-ZIAGYGMSSA-N 1 2 290.363 1.030 20 30 CDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ncc[nH]1 ZINC001272922060 920094366 /nfs/dbraw/zinc/09/43/66/920094366.db2.gz RZIMNNRTNDFLEJ-HNNXBMFYSA-N 1 2 274.368 1.553 20 30 CDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ncc[nH]1 ZINC001272922060 920094379 /nfs/dbraw/zinc/09/43/79/920094379.db2.gz RZIMNNRTNDFLEJ-HNNXBMFYSA-N 1 2 274.368 1.553 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001108028483 920099877 /nfs/dbraw/zinc/09/98/77/920099877.db2.gz GNHCCXXKKUDUDS-PBHICJAKSA-N 1 2 294.439 1.899 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001108028483 920099892 /nfs/dbraw/zinc/09/98/92/920099892.db2.gz GNHCCXXKKUDUDS-PBHICJAKSA-N 1 2 294.439 1.899 20 30 CDEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001139687700 936635917 /nfs/dbraw/zinc/63/59/17/936635917.db2.gz VWOOPIJFGWVIOS-FZMZJTMJSA-N 1 2 280.755 1.387 20 30 CDEDLO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001139687700 936635918 /nfs/dbraw/zinc/63/59/18/936635918.db2.gz VWOOPIJFGWVIOS-FZMZJTMJSA-N 1 2 280.755 1.387 20 30 CDEDLO C[C@@]1(O)COCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139646680 936633727 /nfs/dbraw/zinc/63/37/27/936633727.db2.gz DJYXWNMFIMZZOJ-AWEZNQCLSA-N 1 2 264.300 1.281 20 30 CDEDLO C[C@@]1(O)COCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139646680 936633728 /nfs/dbraw/zinc/63/37/28/936633728.db2.gz DJYXWNMFIMZZOJ-AWEZNQCLSA-N 1 2 264.300 1.281 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cccnn2)C1 ZINC001139977646 936664191 /nfs/dbraw/zinc/66/41/91/936664191.db2.gz VVZYFDHUPVOQRB-LBPRGKRZSA-N 1 2 276.340 1.353 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cccnn2)C1 ZINC001139977646 936664192 /nfs/dbraw/zinc/66/41/92/936664192.db2.gz VVZYFDHUPVOQRB-LBPRGKRZSA-N 1 2 276.340 1.353 20 30 CDEDLO CN(CC[NH+]1CCN(CCC#N)CC1)C(=O)OC(C)(C)C ZINC001202997314 936674385 /nfs/dbraw/zinc/67/43/85/936674385.db2.gz NKOCQKOBDNYOCA-UHFFFAOYSA-N 1 2 296.415 1.385 20 30 CDEDLO CC(=O)N1CC[NH+](Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140113042 936679286 /nfs/dbraw/zinc/67/92/86/936679286.db2.gz QLHMZJMDKGISAT-UHFFFAOYSA-N 1 2 282.347 1.704 20 30 CDEDLO CC1(C)C(=O)NCC[N@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140114710 936679616 /nfs/dbraw/zinc/67/96/16/936679616.db2.gz XACODIDQYLYWCZ-UHFFFAOYSA-N 1 2 282.347 1.750 20 30 CDEDLO CC1(C)C(=O)NCC[N@@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140114710 936679619 /nfs/dbraw/zinc/67/96/19/936679619.db2.gz XACODIDQYLYWCZ-UHFFFAOYSA-N 1 2 282.347 1.750 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccnn2C)CC[C@@H]1C ZINC001071384017 936679746 /nfs/dbraw/zinc/67/97/46/936679746.db2.gz QKNHSMMKGBJYKZ-NWDGAFQWSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccnn2C)CC[C@@H]1C ZINC001071384017 936679748 /nfs/dbraw/zinc/67/97/48/936679748.db2.gz QKNHSMMKGBJYKZ-NWDGAFQWSA-N 1 2 296.802 1.755 20 30 CDEDLO CCCC[N@H+](CCC#N)CC1C(=O)N=CNC1=O ZINC001140475215 936714144 /nfs/dbraw/zinc/71/41/44/936714144.db2.gz DPSZAAOEIKGBRI-UHFFFAOYSA-N 1 2 250.302 1.404 20 30 CDEDLO CCCC[N@@H+](CCC#N)CC1C(=O)N=CNC1=O ZINC001140475215 936714145 /nfs/dbraw/zinc/71/41/45/936714145.db2.gz DPSZAAOEIKGBRI-UHFFFAOYSA-N 1 2 250.302 1.404 20 30 CDEDLO CC(=O)N1CCC2(C[NH+](Cc3ccc(C#N)nc3)C2)C1 ZINC001140542442 936722857 /nfs/dbraw/zinc/72/28/57/936722857.db2.gz CNSZUIGZXADZJF-UHFFFAOYSA-N 1 2 270.336 1.007 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CC(C)(C)COC)C1 ZINC001108094746 922035398 /nfs/dbraw/zinc/03/53/98/922035398.db2.gz ZFORTFPYFGQTAA-MRXNPFEDSA-N 1 2 298.427 1.442 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CC(C)(C)COC)C1 ZINC001108094746 922035408 /nfs/dbraw/zinc/03/54/08/922035408.db2.gz ZFORTFPYFGQTAA-MRXNPFEDSA-N 1 2 298.427 1.442 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)/C(C)=C/C)C[C@@H]21 ZINC001074204866 936734979 /nfs/dbraw/zinc/73/49/79/936734979.db2.gz JOKJGYLZAFECBK-YDYWWVRFSA-N 1 2 276.380 1.278 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)/C(C)=C/C)C[C@@H]21 ZINC001074204866 936734980 /nfs/dbraw/zinc/73/49/80/936734980.db2.gz JOKJGYLZAFECBK-YDYWWVRFSA-N 1 2 276.380 1.278 20 30 CDEDLO C=CCC1(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC001190765826 922181602 /nfs/dbraw/zinc/18/16/02/922181602.db2.gz HUVDJUVOYNGFJI-UHFFFAOYSA-N 1 2 284.425 1.595 20 30 CDEDLO O=C1C=C2C[N@H+](Cc3ccc(CO)o3)CC[C@@H]2S1 ZINC001140680285 936738326 /nfs/dbraw/zinc/73/83/26/936738326.db2.gz WIFIGAIXHQLXDY-LBPRGKRZSA-N 1 2 265.334 1.546 20 30 CDEDLO O=C1C=C2C[N@@H+](Cc3ccc(CO)o3)CC[C@@H]2S1 ZINC001140680285 936738328 /nfs/dbraw/zinc/73/83/28/936738328.db2.gz WIFIGAIXHQLXDY-LBPRGKRZSA-N 1 2 265.334 1.546 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2=CCCC2)[C@H](O)C1 ZINC001090170621 922425395 /nfs/dbraw/zinc/42/53/95/922425395.db2.gz MMSCIYDNMNLSMD-QWHCGFSZSA-N 1 2 284.787 1.401 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2=CCCC2)[C@H](O)C1 ZINC001090170621 922425402 /nfs/dbraw/zinc/42/54/02/922425402.db2.gz MMSCIYDNMNLSMD-QWHCGFSZSA-N 1 2 284.787 1.401 20 30 CDEDLO C#CC[N@H+]1CCCC[C@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001034130511 922511186 /nfs/dbraw/zinc/51/11/86/922511186.db2.gz IAAFNGPEXPLNEX-ZDUSSCGKSA-N 1 2 274.368 1.244 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@H](NC(=O)c2[nH]nc(C)c2C)C1 ZINC001034130511 922511190 /nfs/dbraw/zinc/51/11/90/922511190.db2.gz IAAFNGPEXPLNEX-ZDUSSCGKSA-N 1 2 274.368 1.244 20 30 CDEDLO CC#CCCCC(=O)NC[C@]1(C)C[N@H+](CC#CC)CCO1 ZINC001108142689 922741805 /nfs/dbraw/zinc/74/18/05/922741805.db2.gz ZBLBICPTXTZVAL-QGZVFWFLSA-N 1 2 290.407 1.410 20 30 CDEDLO CC#CCCCC(=O)NC[C@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001108142689 922741813 /nfs/dbraw/zinc/74/18/13/922741813.db2.gz ZBLBICPTXTZVAL-QGZVFWFLSA-N 1 2 290.407 1.410 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NC[C@@]1(C)C[N@H+](CC#CC)CCO1 ZINC001108151147 922794365 /nfs/dbraw/zinc/79/43/65/922794365.db2.gz NKJXKPKNLOSQHA-RDJZCZTQSA-N 1 2 292.423 1.819 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NC[C@@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001108151147 922794381 /nfs/dbraw/zinc/79/43/81/922794381.db2.gz NKJXKPKNLOSQHA-RDJZCZTQSA-N 1 2 292.423 1.819 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2oc(C)nc2C)C1 ZINC001035323941 922968544 /nfs/dbraw/zinc/96/85/44/922968544.db2.gz NNZIKJSVKUFGCD-ZDUSSCGKSA-N 1 2 293.367 1.298 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2oc(C)nc2C)C1 ZINC001035323941 922968550 /nfs/dbraw/zinc/96/85/50/922968550.db2.gz NNZIKJSVKUFGCD-ZDUSSCGKSA-N 1 2 293.367 1.298 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001099985201 936829385 /nfs/dbraw/zinc/82/93/85/936829385.db2.gz ZBGNTUSUGGMFMR-GFCCVEGCSA-N 1 2 292.383 1.319 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccnn2C)C1 ZINC001079481667 924321147 /nfs/dbraw/zinc/32/11/47/924321147.db2.gz QIJKTUGBXNWRAS-MWLCHTKSSA-N 1 2 282.775 1.223 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccnn2C)C1 ZINC001079481667 924321158 /nfs/dbraw/zinc/32/11/58/924321158.db2.gz QIJKTUGBXNWRAS-MWLCHTKSSA-N 1 2 282.775 1.223 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)CCC)CC1 ZINC001195372337 924572013 /nfs/dbraw/zinc/57/20/13/924572013.db2.gz CHVOIZSVTMSYRK-AWEZNQCLSA-N 1 2 295.427 1.259 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)CCC)CC1 ZINC001195372337 924572019 /nfs/dbraw/zinc/57/20/19/924572019.db2.gz CHVOIZSVTMSYRK-AWEZNQCLSA-N 1 2 295.427 1.259 20 30 CDEDLO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001080925957 924659121 /nfs/dbraw/zinc/65/91/21/924659121.db2.gz UGHBSWGICZZIKW-QMTHXVAHSA-N 1 2 285.351 1.194 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001080925957 924659126 /nfs/dbraw/zinc/65/91/26/924659126.db2.gz UGHBSWGICZZIKW-QMTHXVAHSA-N 1 2 285.351 1.194 20 30 CDEDLO Cc1ncoc1C[N@H+]1CCCN(C(=O)C#CC(C)C)CC1 ZINC001195781203 924728452 /nfs/dbraw/zinc/72/84/52/924728452.db2.gz PYDMQAWZENFSAW-UHFFFAOYSA-N 1 2 289.379 1.677 20 30 CDEDLO Cc1ncoc1C[N@@H+]1CCCN(C(=O)C#CC(C)C)CC1 ZINC001195781203 924728464 /nfs/dbraw/zinc/72/84/64/924728464.db2.gz PYDMQAWZENFSAW-UHFFFAOYSA-N 1 2 289.379 1.677 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)C(F)(F)F ZINC001114309231 924743970 /nfs/dbraw/zinc/74/39/70/924743970.db2.gz SMYLMDDTCIMDCJ-JLIMGVALSA-N 1 2 280.265 1.509 20 30 CDEDLO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)C(F)(F)F ZINC001114309231 924743979 /nfs/dbraw/zinc/74/39/79/924743979.db2.gz SMYLMDDTCIMDCJ-JLIMGVALSA-N 1 2 280.265 1.509 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C(F)(F)F ZINC001114309231 924743983 /nfs/dbraw/zinc/74/39/83/924743983.db2.gz SMYLMDDTCIMDCJ-JLIMGVALSA-N 1 2 280.265 1.509 20 30 CDEDLO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C(F)(F)F ZINC001114309231 924743989 /nfs/dbraw/zinc/74/39/89/924743989.db2.gz SMYLMDDTCIMDCJ-JLIMGVALSA-N 1 2 280.265 1.509 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2occc2CC)[C@H](OC)C1 ZINC001082101435 924858759 /nfs/dbraw/zinc/85/87/59/924858759.db2.gz WBFUMWSMBMQUBX-ZIAGYGMSSA-N 1 2 290.363 1.294 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2occc2CC)[C@H](OC)C1 ZINC001082101435 924858767 /nfs/dbraw/zinc/85/87/67/924858767.db2.gz WBFUMWSMBMQUBX-ZIAGYGMSSA-N 1 2 290.363 1.294 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(F)s3)[C@@H]2C1 ZINC001084864303 925465339 /nfs/dbraw/zinc/46/53/39/925465339.db2.gz QFVPMLLIRFJZEL-GHMZBOCLSA-N 1 2 278.352 1.667 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(F)s3)[C@@H]2C1 ZINC001084864303 925465345 /nfs/dbraw/zinc/46/53/45/925465345.db2.gz QFVPMLLIRFJZEL-GHMZBOCLSA-N 1 2 278.352 1.667 20 30 CDEDLO C=CC[C@H]1NC(=O)N(Cc2ccn3cc[nH+]c3c2)C1=O ZINC001119697751 925475131 /nfs/dbraw/zinc/47/51/31/925475131.db2.gz YKGJPFVWRBACNF-LLVKDONJSA-N 1 2 270.292 1.331 20 30 CDEDLO COc1ccccc1[C@@H](CNC(=O)[C@H](C)C#N)[NH2+]CCF ZINC001198616551 925477819 /nfs/dbraw/zinc/47/78/19/925477819.db2.gz ITAREBOEJKKYTB-DGCLKSJQSA-N 1 2 293.342 1.571 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001199253681 925656512 /nfs/dbraw/zinc/65/65/12/925656512.db2.gz VWOUSNUAXDSUFE-RRFJBIMHSA-N 1 2 280.412 1.243 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001199253681 925656518 /nfs/dbraw/zinc/65/65/18/925656518.db2.gz VWOUSNUAXDSUFE-RRFJBIMHSA-N 1 2 280.412 1.243 20 30 CDEDLO CC(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085445670 925973322 /nfs/dbraw/zinc/97/33/22/925973322.db2.gz MBCZGEMKLADQRX-MRXNPFEDSA-N 1 2 256.349 1.591 20 30 CDEDLO CC(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085445670 925973329 /nfs/dbraw/zinc/97/33/29/925973329.db2.gz MBCZGEMKLADQRX-MRXNPFEDSA-N 1 2 256.349 1.591 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001203123844 937060826 /nfs/dbraw/zinc/06/08/26/937060826.db2.gz ASVUDNOPJRBZDP-AWEZNQCLSA-N 1 2 290.367 1.662 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cnc(C)nc2)C1 ZINC001203123844 937060829 /nfs/dbraw/zinc/06/08/29/937060829.db2.gz ASVUDNOPJRBZDP-AWEZNQCLSA-N 1 2 290.367 1.662 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)[nH]nc1Cl ZINC001085633965 926233656 /nfs/dbraw/zinc/23/36/56/926233656.db2.gz DZFHJVHCSYGRRA-JTQLQIEISA-N 1 2 280.759 1.151 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)[nH]nc1Cl ZINC001085633965 926233666 /nfs/dbraw/zinc/23/36/66/926233666.db2.gz DZFHJVHCSYGRRA-JTQLQIEISA-N 1 2 280.759 1.151 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2cnccc2o1 ZINC001085697217 926293801 /nfs/dbraw/zinc/29/38/01/926293801.db2.gz FYEVYUHLBKVITF-CYBMUJFWSA-N 1 2 283.331 1.607 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2cnccc2o1 ZINC001085697217 926293809 /nfs/dbraw/zinc/29/38/09/926293809.db2.gz FYEVYUHLBKVITF-CYBMUJFWSA-N 1 2 283.331 1.607 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn(C)c1CCC ZINC001085693672 926296582 /nfs/dbraw/zinc/29/65/82/926296582.db2.gz NCXIUCBCVCCNOQ-ZDUSSCGKSA-N 1 2 288.395 1.152 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(C)c1CCC ZINC001085693672 926296586 /nfs/dbraw/zinc/29/65/86/926296586.db2.gz NCXIUCBCVCCNOQ-ZDUSSCGKSA-N 1 2 288.395 1.152 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(OCC)no1 ZINC001085726700 926328012 /nfs/dbraw/zinc/32/80/12/926328012.db2.gz FWXDNRLBOSBKTL-LBPRGKRZSA-N 1 2 291.351 1.243 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(OCC)no1 ZINC001085726700 926328022 /nfs/dbraw/zinc/32/80/22/926328022.db2.gz FWXDNRLBOSBKTL-LBPRGKRZSA-N 1 2 291.351 1.243 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(F)c(OC)c1 ZINC001085833616 926437956 /nfs/dbraw/zinc/43/79/56/926437956.db2.gz NQFMFUZVFAWRFM-CYBMUJFWSA-N 1 2 290.338 1.614 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(F)c(OC)c1 ZINC001085833616 926437962 /nfs/dbraw/zinc/43/79/62/926437962.db2.gz NQFMFUZVFAWRFM-CYBMUJFWSA-N 1 2 290.338 1.614 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001085869619 926469524 /nfs/dbraw/zinc/46/95/24/926469524.db2.gz WLNJFVISJRUCIF-RDBSUJKOSA-N 1 2 284.375 1.470 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001085869619 926469529 /nfs/dbraw/zinc/46/95/29/926469529.db2.gz WLNJFVISJRUCIF-RDBSUJKOSA-N 1 2 284.375 1.470 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC23CC3)C1 ZINC001108241945 926671428 /nfs/dbraw/zinc/67/14/28/926671428.db2.gz HHUHUEGOSJSBBI-DZGCQCFKSA-N 1 2 276.380 1.017 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC23CC3)C1 ZINC001108241945 926671434 /nfs/dbraw/zinc/67/14/34/926671434.db2.gz HHUHUEGOSJSBBI-DZGCQCFKSA-N 1 2 276.380 1.017 20 30 CDEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](CC)Nc1cc[nH+]c(C)n1 ZINC001103197019 937127567 /nfs/dbraw/zinc/12/75/67/937127567.db2.gz ZSHJYGAFYFRYGL-WCQYABFASA-N 1 2 290.367 1.130 20 30 CDEDLO C#CCOCC[NH2+]C1(C(=O)OC)CCC(CC)CC1 ZINC000851853897 927645318 /nfs/dbraw/zinc/64/53/18/927645318.db2.gz MGKRUPCWYDNFFG-UHFFFAOYSA-N 1 2 267.369 1.738 20 30 CDEDLO C#C[C@](C)(CC)NC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000854703651 928268217 /nfs/dbraw/zinc/26/82/17/928268217.db2.gz BAUVYPLYSAJRJH-IIAWOOMASA-N 1 2 280.412 1.794 20 30 CDEDLO C#C[C@](C)(CC)NC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000854703651 928268228 /nfs/dbraw/zinc/26/82/28/928268228.db2.gz BAUVYPLYSAJRJH-IIAWOOMASA-N 1 2 280.412 1.794 20 30 CDEDLO CS(=O)(=O)C1CCC([NH2+]C2(C#N)CCCC2)CC1 ZINC001169859102 928454529 /nfs/dbraw/zinc/45/45/29/928454529.db2.gz UUEHKJAZQTWXEQ-UHFFFAOYSA-N 1 2 270.398 1.768 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCOC)C2 ZINC001108840764 928675014 /nfs/dbraw/zinc/67/50/14/928675014.db2.gz XENSBOCAYKGJPX-WOPDTQHZSA-N 1 2 272.776 1.497 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCOC)C2 ZINC001108840764 928675023 /nfs/dbraw/zinc/67/50/23/928675023.db2.gz XENSBOCAYKGJPX-WOPDTQHZSA-N 1 2 272.776 1.497 20 30 CDEDLO C=C(C)C(=O)NCCCNc1[nH+]cc(C)cc1/C=N/O ZINC001156820594 928995447 /nfs/dbraw/zinc/99/54/47/928995447.db2.gz PNXFJJKNXCBRLT-GIJQJNRQSA-N 1 2 276.340 1.692 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC ZINC001109631524 928996212 /nfs/dbraw/zinc/99/62/12/928996212.db2.gz DZWSSCMOFOKTJI-CRWXNKLISA-N 1 2 293.411 1.056 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC ZINC001109631524 928996216 /nfs/dbraw/zinc/99/62/16/928996216.db2.gz DZWSSCMOFOKTJI-CRWXNKLISA-N 1 2 293.411 1.056 20 30 CDEDLO Cc1nc(NC[C@@H](NC(=O)C#CC(C)C)C2CC2)cc[nH+]1 ZINC001109837903 929062498 /nfs/dbraw/zinc/06/24/98/929062498.db2.gz NYXHNYBJDOHKAY-CQSZACIVSA-N 1 2 286.379 1.751 20 30 CDEDLO C=CC[C@@](C)(NC(=O)c1cc2c[nH+]ccc2[nH]1)C(=O)OC ZINC001151979553 937323768 /nfs/dbraw/zinc/32/37/68/937323768.db2.gz SGDVCHLEXKKGGO-OAHLLOKOSA-N 1 2 287.319 1.801 20 30 CDEDLO C#CCCCC(=O)N1CC[NH+](CCc2ccns2)CC1 ZINC001112809300 929442640 /nfs/dbraw/zinc/44/26/40/929442640.db2.gz CYCGVEHWYALNQO-UHFFFAOYSA-N 1 2 291.420 1.633 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CC[C@H](CC)C2)c1=S ZINC000119440005 929543827 /nfs/dbraw/zinc/54/38/27/929543827.db2.gz GNRSPTZOVHNOIB-JTQLQIEISA-N 1 2 253.375 1.684 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CC[C@H](CC)C2)c1=S ZINC000119440005 929543836 /nfs/dbraw/zinc/54/38/36/929543836.db2.gz GNRSPTZOVHNOIB-JTQLQIEISA-N 1 2 253.375 1.684 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2(CCOC)CC2)CC1 ZINC001112942143 929588946 /nfs/dbraw/zinc/58/89/46/929588946.db2.gz HPVDFCYHSHLBQQ-UHFFFAOYSA-N 1 2 252.358 1.133 20 30 CDEDLO CC[N@H+](Cc1nccs1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152450378 937363395 /nfs/dbraw/zinc/36/33/95/937363395.db2.gz ZVHFQLIHRPACAP-WDEREUQCSA-N 1 2 280.397 1.629 20 30 CDEDLO CC[N@@H+](Cc1nccs1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152450378 937363399 /nfs/dbraw/zinc/36/33/99/937363399.db2.gz ZVHFQLIHRPACAP-WDEREUQCSA-N 1 2 280.397 1.629 20 30 CDEDLO Cc1nc(NC[C@@H](C2CC2)N(C)C(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001115492153 937383394 /nfs/dbraw/zinc/38/33/94/937383394.db2.gz UEPMGNRNTUYAFK-GWCFXTLKSA-N 1 2 287.367 1.594 20 30 CDEDLO C=CCO[C@H](C)C(=O)N(C)C[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001115759658 937418336 /nfs/dbraw/zinc/41/83/36/937418336.db2.gz KMFGBOGOJIQNJJ-VXGBXAGGSA-N 1 2 292.383 1.635 20 30 CDEDLO CC[N@H+](Cc1coc(C)n1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207210 937429572 /nfs/dbraw/zinc/42/95/72/937429572.db2.gz ATOZBUHJSODVRY-CYBMUJFWSA-N 1 2 291.395 1.969 20 30 CDEDLO CC[N@@H+](Cc1coc(C)n1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207210 937429575 /nfs/dbraw/zinc/42/95/75/937429575.db2.gz ATOZBUHJSODVRY-CYBMUJFWSA-N 1 2 291.395 1.969 20 30 CDEDLO C=CCn1cc(C[NH2+][C@H](C)c2cc(C)nn2C)nn1 ZINC000818346293 930706384 /nfs/dbraw/zinc/70/63/84/930706384.db2.gz CCPWUMFKEBVSDW-LLVKDONJSA-N 1 2 260.345 1.357 20 30 CDEDLO C=C(C)CCC(=O)NC[C@@H](C)[N@H+](CC)Cc1cn(C)nn1 ZINC001153625991 937456845 /nfs/dbraw/zinc/45/68/45/937456845.db2.gz TWAQIXVZAXQFLP-CYBMUJFWSA-N 1 2 293.415 1.498 20 30 CDEDLO C=C(C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cn(C)nn1 ZINC001153625991 937456847 /nfs/dbraw/zinc/45/68/47/937456847.db2.gz TWAQIXVZAXQFLP-CYBMUJFWSA-N 1 2 293.415 1.498 20 30 CDEDLO N#CCCC[NH+]1CC2(C1)COCC(=O)N2C1CCCC1 ZINC001274038712 931137166 /nfs/dbraw/zinc/13/71/66/931137166.db2.gz MVTPTKZQSYOVAG-UHFFFAOYSA-N 1 2 277.368 1.146 20 30 CDEDLO Cc1nc(N2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001090703653 931335293 /nfs/dbraw/zinc/33/52/93/931335293.db2.gz DGCGVKDESFWISN-TZMCWYRMSA-N 1 2 286.379 1.385 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ncc(C)cn1 ZINC001274441564 931500202 /nfs/dbraw/zinc/50/02/02/931500202.db2.gz DSFDCGAIVDCAOU-QGZVFWFLSA-N 1 2 298.390 1.375 20 30 CDEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ncc(C)cn1 ZINC001274441564 931500205 /nfs/dbraw/zinc/50/02/05/931500205.db2.gz DSFDCGAIVDCAOU-QGZVFWFLSA-N 1 2 298.390 1.375 20 30 CDEDLO C#CCN1CC[C@@]2(CCCN(c3cccc[nH+]3)CC2)C1=O ZINC001274739388 931562986 /nfs/dbraw/zinc/56/29/86/931562986.db2.gz IKJCILUNARWVJI-KRWDZBQOSA-N 1 2 283.375 1.924 20 30 CDEDLO C[N@H+]1C[C@H]2CN(CCCc3cccc(C#N)c3)C[C@@H](C1)O2 ZINC001274890885 931601627 /nfs/dbraw/zinc/60/16/27/931601627.db2.gz NGBZNVVLHGMLMO-CALCHBBNSA-N 1 2 285.391 1.506 20 30 CDEDLO C[N@@H+]1C[C@H]2CN(CCCc3cccc(C#N)c3)C[C@@H](C1)O2 ZINC001274890885 931601631 /nfs/dbraw/zinc/60/16/31/931601631.db2.gz NGBZNVVLHGMLMO-CALCHBBNSA-N 1 2 285.391 1.506 20 30 CDEDLO N#Cc1cccc(CN2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)c1 ZINC001275290518 931725468 /nfs/dbraw/zinc/72/54/68/931725468.db2.gz PKGZNSOZKAHEMX-UHFFFAOYSA-N 1 2 293.374 1.599 20 30 CDEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCN(C)C(=O)C1 ZINC001171204296 931951825 /nfs/dbraw/zinc/95/18/25/931951825.db2.gz VHJXMRRZPGDZGR-LBPRGKRZSA-N 1 2 257.337 1.263 20 30 CDEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCN(C)C(=O)C1 ZINC001171204296 931951829 /nfs/dbraw/zinc/95/18/29/931951829.db2.gz VHJXMRRZPGDZGR-LBPRGKRZSA-N 1 2 257.337 1.263 20 30 CDEDLO CC(C)Oc1ccc(C(=O)N2CC[NH+](C)CC2)cc1C#N ZINC001148768627 932789499 /nfs/dbraw/zinc/78/94/99/932789499.db2.gz KIRKKYLCHHRBCW-UHFFFAOYSA-N 1 2 287.363 1.733 20 30 CDEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001171369725 932887996 /nfs/dbraw/zinc/88/79/96/932887996.db2.gz YZQRZNZKVFULJP-ZANVPECISA-N 1 2 290.298 1.659 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000932714658 933749048 /nfs/dbraw/zinc/74/90/48/933749048.db2.gz OFMWPGYIYNDAQO-UHFFFAOYSA-N 1 2 294.395 1.722 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000932714658 933749054 /nfs/dbraw/zinc/74/90/54/933749054.db2.gz OFMWPGYIYNDAQO-UHFFFAOYSA-N 1 2 294.395 1.722 20 30 CDEDLO C=CCn1nnnc1N1CCC([N@H+](C)CC(F)F)CC1 ZINC001119644413 937743117 /nfs/dbraw/zinc/74/31/17/937743117.db2.gz YNHUAUKLJQOJPY-UHFFFAOYSA-N 1 2 286.330 1.025 20 30 CDEDLO C=CCn1nnnc1N1CCC([N@@H+](C)CC(F)F)CC1 ZINC001119644413 937743118 /nfs/dbraw/zinc/74/31/18/937743118.db2.gz YNHUAUKLJQOJPY-UHFFFAOYSA-N 1 2 286.330 1.025 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001114791722 934967214 /nfs/dbraw/zinc/96/72/14/934967214.db2.gz JMZGFHVMZVVRBV-ORIJERBGSA-N 1 2 289.379 1.823 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001114791722 934967216 /nfs/dbraw/zinc/96/72/16/934967216.db2.gz JMZGFHVMZVVRBV-ORIJERBGSA-N 1 2 289.379 1.823 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(C2CC2)n1 ZINC001018036682 935658417 /nfs/dbraw/zinc/65/84/17/935658417.db2.gz JTHIBQWTGIFTCC-OKILXGFUSA-N 1 2 299.374 1.864 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(C2CC2)n1 ZINC001018036682 935658418 /nfs/dbraw/zinc/65/84/18/935658418.db2.gz JTHIBQWTGIFTCC-OKILXGFUSA-N 1 2 299.374 1.864 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001019331693 935701290 /nfs/dbraw/zinc/70/12/90/935701290.db2.gz BKWTUKBSXSENLQ-WFASDCNBSA-N 1 2 292.383 1.671 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCOC[C@H](O)C2)ccc1Cl ZINC001238189761 945125789 /nfs/dbraw/zinc/12/57/89/945125789.db2.gz WCVVBTIXDPQBRD-GFCCVEGCSA-N 1 2 266.728 1.405 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCOC[C@H](O)C2)ccc1Cl ZINC001238189761 945125793 /nfs/dbraw/zinc/12/57/93/945125793.db2.gz WCVVBTIXDPQBRD-GFCCVEGCSA-N 1 2 266.728 1.405 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CC[C@@H](OC)C2)C1 ZINC001043151183 935834294 /nfs/dbraw/zinc/83/42/94/935834294.db2.gz VUPATNWJZKQNSU-GXTWGEPZSA-N 1 2 266.385 1.520 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c[nH]nc2C(C)C)C1 ZINC001043196723 935834847 /nfs/dbraw/zinc/83/48/47/935834847.db2.gz XGIYTOWLQRUYKW-UHFFFAOYSA-N 1 2 276.384 1.865 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CCC)n2CC2CC2)CC1 ZINC001123507910 936172907 /nfs/dbraw/zinc/17/29/07/936172907.db2.gz BMXZFJUIZYFQLM-UHFFFAOYSA-N 1 2 287.411 1.396 20 30 CDEDLO Cc1nc(N2CCC[C@@H](CNC(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001097298596 936289501 /nfs/dbraw/zinc/28/95/01/936289501.db2.gz QZKMZJOYPPAYMB-AAEUAGOBSA-N 1 2 287.367 1.277 20 30 CDEDLO COc1cccc2c1ccnc2N1CC[NH2+]C[C@@H]1C#N ZINC001156333226 938353734 /nfs/dbraw/zinc/35/37/34/938353734.db2.gz YDWMZWCZKVAFPN-NSHDSACASA-N 1 2 268.320 1.545 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2cc3cc(C#N)ccc3[nH]2)C1 ZINC001156463104 938370409 /nfs/dbraw/zinc/37/04/09/938370409.db2.gz ZURDIFJDRROZTN-CYBMUJFWSA-N 1 2 298.346 1.100 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)c2cc3cc(C#N)ccc3[nH]2)C1 ZINC001156463104 938370411 /nfs/dbraw/zinc/37/04/11/938370411.db2.gz ZURDIFJDRROZTN-CYBMUJFWSA-N 1 2 298.346 1.100 20 30 CDEDLO N#Cc1nc(Cl)cnc1NCc1cc[nH+]c(N)c1 ZINC001156756015 938414498 /nfs/dbraw/zinc/41/44/98/938414498.db2.gz NXGLJZBEHACITP-UHFFFAOYSA-N 1 2 260.688 1.591 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1nccc(OC)c1C#N ZINC001157460193 938495423 /nfs/dbraw/zinc/49/54/23/938495423.db2.gz RKKXUKXGLZEBIL-UHFFFAOYSA-N 1 2 271.324 1.685 20 30 CDEDLO CS(=O)(=O)[C@H]1C[C@@H](Nc2cc(CC#N)cc[nH+]2)C1 ZINC001157467807 938497322 /nfs/dbraw/zinc/49/73/22/938497322.db2.gz HSWXWGFRPIITSL-PHIMTYICSA-N 1 2 265.338 1.135 20 30 CDEDLO Cc1ccnc(N[C@@H]2CCC[N@@H+](C3COC3)C2)c1C#N ZINC001157580850 938515163 /nfs/dbraw/zinc/51/51/63/938515163.db2.gz MLXVSIVBYBZXMN-GFCCVEGCSA-N 1 2 272.352 1.537 20 30 CDEDLO Cc1ccnc(N[C@@H]2CCC[N@H+](C3COC3)C2)c1C#N ZINC001157580850 938515166 /nfs/dbraw/zinc/51/51/66/938515166.db2.gz MLXVSIVBYBZXMN-GFCCVEGCSA-N 1 2 272.352 1.537 20 30 CDEDLO N#Cc1c(Cl)ncnc1NCC1([NH+]2CCCC2)COC1 ZINC001157650041 938526213 /nfs/dbraw/zinc/52/62/13/938526213.db2.gz JSJPWALFFVXVSS-UHFFFAOYSA-N 1 2 293.758 1.278 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Nc2nc(Cl)cc(C)c2C#N)C[NH2+]1 ZINC001158254051 938599861 /nfs/dbraw/zinc/59/98/61/938599861.db2.gz KSGYPPGKKQXEOJ-SCZZXKLOSA-N 1 2 294.742 1.231 20 30 CDEDLO CCOC(=O)Cc1cc[nH+]c(NCCCS)c1 ZINC001159871902 938757991 /nfs/dbraw/zinc/75/79/91/938757991.db2.gz VHULTPCWHWNDNI-UHFFFAOYSA-N 1 2 254.355 1.919 20 30 CDEDLO CCOC(=O)[C@H]([NH3+])CNc1ncc(CC#N)cc1Cl ZINC001161950308 938947258 /nfs/dbraw/zinc/94/72/58/938947258.db2.gz DOBUWWUOZQTFRR-SNVBAGLBSA-N 1 2 282.731 1.103 20 30 CDEDLO CC(=O)C=C(C)Nc1nccnc1N1CC[NH+](C)CC1 ZINC001163737292 939319450 /nfs/dbraw/zinc/31/94/50/939319450.db2.gz USFOUWWREQCSGU-KHPPLWFESA-N 1 2 275.356 1.133 20 30 CDEDLO Cc1ccc2nc(N3CC[NH2+]C[C@@H]3C#N)ccc2c1 ZINC001164623957 939499898 /nfs/dbraw/zinc/49/98/98/939499898.db2.gz AYJPMWMRYYSOFC-ZDUSSCGKSA-N 1 2 252.321 1.845 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1c1cc(Cl)nc2ncccc21 ZINC001164641448 939501465 /nfs/dbraw/zinc/50/14/65/939501465.db2.gz LDMMYWLQYIABKX-SECBINFHSA-N 1 2 273.727 1.585 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cnc(C)n2C)C1 ZINC001206796592 940093293 /nfs/dbraw/zinc/09/32/93/940093293.db2.gz CUEVXEKYFFQJSC-ZDUSSCGKSA-N 1 2 292.383 1.605 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cnc(C)n2C)C1 ZINC001206796592 940093298 /nfs/dbraw/zinc/09/32/98/940093298.db2.gz CUEVXEKYFFQJSC-ZDUSSCGKSA-N 1 2 292.383 1.605 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001206912395 940111154 /nfs/dbraw/zinc/11/11/54/940111154.db2.gz JPTONBWWDIIELE-UKRRQHHQSA-N 1 2 288.395 1.160 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001206912395 940111158 /nfs/dbraw/zinc/11/11/58/940111158.db2.gz JPTONBWWDIIELE-UKRRQHHQSA-N 1 2 288.395 1.160 20 30 CDEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2c(C)noc2C)CC1 ZINC001207139106 940156223 /nfs/dbraw/zinc/15/62/23/940156223.db2.gz LCVALJDVVIWUSM-UHFFFAOYSA-N 1 2 291.351 1.960 20 30 CDEDLO COCCOC1C[NH+](CCc2ccc(C#N)cc2)C1 ZINC001208928401 940407482 /nfs/dbraw/zinc/40/74/82/940407482.db2.gz HCUAXMSJVOOGOK-UHFFFAOYSA-N 1 2 260.337 1.448 20 30 CDEDLO C#Cc1ccc(CN2CC[NH2+]CC(F)(F)C2)cc1 ZINC001211342764 940748061 /nfs/dbraw/zinc/74/80/61/940748061.db2.gz YUHBLDGDFNULJQ-UHFFFAOYSA-N 1 2 250.292 1.708 20 30 CDEDLO N#Cc1cnccc1Nc1ccccc1C[NH+]1CCOCC1 ZINC001214013589 940792207 /nfs/dbraw/zinc/79/22/07/940792207.db2.gz XQZQUQOGXVJMLW-UHFFFAOYSA-N 1 2 294.358 1.951 20 30 CDEDLO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc(C#N)c2)CC[S@](=O)C1 ZINC001473385044 970787105 /nfs/dbraw/zinc/78/71/05/970787105.db2.gz NPCIIJCIKSXGMX-URFZZILJSA-N 1 2 292.404 1.292 20 30 CDEDLO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc(C#N)c2)CC[S@](=O)C1 ZINC001473385044 970787109 /nfs/dbraw/zinc/78/71/09/970787109.db2.gz NPCIIJCIKSXGMX-URFZZILJSA-N 1 2 292.404 1.292 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC(CC)CC)[C@H]2C1 ZINC001218845198 941278734 /nfs/dbraw/zinc/27/87/34/941278734.db2.gz ZDCIUSJRZNPMEY-LSDHHAIUSA-N 1 2 278.396 1.358 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC(CC)CC)[C@H]2C1 ZINC001218845198 941278738 /nfs/dbraw/zinc/27/87/38/941278738.db2.gz ZDCIUSJRZNPMEY-LSDHHAIUSA-N 1 2 278.396 1.358 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1O ZINC001220247864 941427896 /nfs/dbraw/zinc/42/78/96/941427896.db2.gz XKPYWAQKSPFYSH-OLZOCXBDSA-N 1 2 295.408 1.161 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1O ZINC001220247864 941427899 /nfs/dbraw/zinc/42/78/99/941427899.db2.gz XKPYWAQKSPFYSH-OLZOCXBDSA-N 1 2 295.408 1.161 20 30 CDEDLO C=CCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](CC(=C)Cl)C[C@H]21 ZINC001222069700 941559835 /nfs/dbraw/zinc/55/98/35/941559835.db2.gz VXKWMLXORAZJEW-MGPQQGTHSA-N 1 2 298.814 1.863 20 30 CDEDLO C=CCO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC(=C)Cl)C[C@H]21 ZINC001222069700 941559836 /nfs/dbraw/zinc/55/98/36/941559836.db2.gz VXKWMLXORAZJEW-MGPQQGTHSA-N 1 2 298.814 1.863 20 30 CDEDLO COCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)Nc1cc(C)ccc1C#N ZINC001276889858 941676269 /nfs/dbraw/zinc/67/62/69/941676269.db2.gz NWLUAOUMNXHUEH-PBHICJAKSA-N 1 2 299.374 1.916 20 30 CDEDLO COCC[N@H+]1CC[C@@H]2C[C@@]21C(=O)Nc1cc(C)ccc1C#N ZINC001276889858 941676271 /nfs/dbraw/zinc/67/62/71/941676271.db2.gz NWLUAOUMNXHUEH-PBHICJAKSA-N 1 2 299.374 1.916 20 30 CDEDLO COC(=O)c1cccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001225678476 941899308 /nfs/dbraw/zinc/89/93/08/941899308.db2.gz BKJPKLQFMQRLIN-ABWMFPBJSA-N 1 2 289.331 1.464 20 30 CDEDLO COC(=O)c1cccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001225678476 941899310 /nfs/dbraw/zinc/89/93/10/941899310.db2.gz BKJPKLQFMQRLIN-ABWMFPBJSA-N 1 2 289.331 1.464 20 30 CDEDLO COc1ccc(C#N)cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001225688630 941900301 /nfs/dbraw/zinc/90/03/01/941900301.db2.gz GKGUVLZZDCMUMG-FDAWXEHDSA-N 1 2 286.331 1.558 20 30 CDEDLO COc1ccc(C#N)cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001225688630 941900305 /nfs/dbraw/zinc/90/03/05/941900305.db2.gz GKGUVLZZDCMUMG-FDAWXEHDSA-N 1 2 286.331 1.558 20 30 CDEDLO Cc1cc(=O)[nH]c(OC2CC[NH+](C3CC3)CC2)c1C#N ZINC001226221524 941969435 /nfs/dbraw/zinc/96/94/35/941969435.db2.gz MEFYEWTZQVVVDC-UHFFFAOYSA-N 1 2 273.336 1.973 20 30 CDEDLO CC(C)(C)[NH+]1CC(Oc2nccc(/C=N/O)n2)C1 ZINC001226254330 941975717 /nfs/dbraw/zinc/97/57/17/941975717.db2.gz WEMZBXPKACDBSF-MKMNVTDBSA-N 1 2 250.302 1.146 20 30 CDEDLO Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)o1 ZINC001226640172 942039849 /nfs/dbraw/zinc/03/98/49/942039849.db2.gz KQUAZSIWFFMCNM-ZJUUUORDSA-N 1 2 291.355 1.179 20 30 CDEDLO C=C(C)CCC(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001227588087 942192177 /nfs/dbraw/zinc/19/21/77/942192177.db2.gz FMNNGTVHTWPWHM-UHFFFAOYSA-N 1 2 288.395 1.914 20 30 CDEDLO COc1ncccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001228590677 942338297 /nfs/dbraw/zinc/33/82/97/942338297.db2.gz GVIRDALLRHEJFP-NJFCNUMCSA-N 1 2 262.309 1.081 20 30 CDEDLO COc1ncccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001228590677 942338301 /nfs/dbraw/zinc/33/83/01/942338301.db2.gz GVIRDALLRHEJFP-NJFCNUMCSA-N 1 2 262.309 1.081 20 30 CDEDLO Cc1cc([N+](=O)[O-])ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001228922247 942394920 /nfs/dbraw/zinc/39/49/20/942394920.db2.gz XGXNODCJSZTZKN-KYFMZXIUSA-N 1 2 290.319 1.894 20 30 CDEDLO Cc1cc([N+](=O)[O-])ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001228922247 942394921 /nfs/dbraw/zinc/39/49/21/942394921.db2.gz XGXNODCJSZTZKN-KYFMZXIUSA-N 1 2 290.319 1.894 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC1CC1 ZINC001231124091 942795072 /nfs/dbraw/zinc/79/50/72/942795072.db2.gz ZMKGWKCGTHAXAT-GXTWGEPZSA-N 1 2 293.411 1.152 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC1CC1 ZINC001231124091 942795073 /nfs/dbraw/zinc/79/50/73/942795073.db2.gz ZMKGWKCGTHAXAT-GXTWGEPZSA-N 1 2 293.411 1.152 20 30 CDEDLO Cc1cncc(C[N@H+]2CC[C@@H]2CN(C)C(=O)[C@H](C)C#N)c1 ZINC001231247037 942831834 /nfs/dbraw/zinc/83/18/34/942831834.db2.gz JWIQKKGUSVXGMF-UKRRQHHQSA-N 1 2 286.379 1.582 20 30 CDEDLO Cc1cncc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)[C@H](C)C#N)c1 ZINC001231247037 942831843 /nfs/dbraw/zinc/83/18/43/942831843.db2.gz JWIQKKGUSVXGMF-UKRRQHHQSA-N 1 2 286.379 1.582 20 30 CDEDLO CN(CCC#N)c1ccc(C[NH+]2CCN(C#N)CC2)cc1 ZINC001231822136 943024688 /nfs/dbraw/zinc/02/46/88/943024688.db2.gz JEXXALWBSOCDGN-UHFFFAOYSA-N 1 2 283.379 1.635 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H](CO)CC2)c1 ZINC001232674007 943356289 /nfs/dbraw/zinc/35/62/89/943356289.db2.gz PNKOOYQMYCGQIA-GFCCVEGCSA-N 1 2 260.337 1.858 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](CO)CC2)c1 ZINC001232674007 943356292 /nfs/dbraw/zinc/35/62/92/943356292.db2.gz PNKOOYQMYCGQIA-GFCCVEGCSA-N 1 2 260.337 1.858 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c1 ZINC001232679086 943358364 /nfs/dbraw/zinc/35/83/64/943358364.db2.gz ZVSQBJDWGQOHBO-SWLSCSKDSA-N 1 2 258.321 1.875 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c1 ZINC001232679086 943358371 /nfs/dbraw/zinc/35/83/71/943358371.db2.gz ZVSQBJDWGQOHBO-SWLSCSKDSA-N 1 2 258.321 1.875 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc3ncoc3c2)CC1 ZINC001232943291 943443022 /nfs/dbraw/zinc/44/30/22/943443022.db2.gz BNRDBXPGIXMGMJ-UHFFFAOYSA-N 1 2 255.321 1.579 20 30 CDEDLO Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)c(C#N)c1 ZINC001232964146 943448519 /nfs/dbraw/zinc/44/85/19/943448519.db2.gz QTNQQSVPVWLSDJ-CVEARBPZSA-N 1 2 271.364 1.382 20 30 CDEDLO Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)c(C#N)c1 ZINC001232964146 943448522 /nfs/dbraw/zinc/44/85/22/943448522.db2.gz QTNQQSVPVWLSDJ-CVEARBPZSA-N 1 2 271.364 1.382 20 30 CDEDLO Cc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c(C#N)c1 ZINC001232964146 943448524 /nfs/dbraw/zinc/44/85/24/943448524.db2.gz QTNQQSVPVWLSDJ-CVEARBPZSA-N 1 2 271.364 1.382 20 30 CDEDLO Cc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c(C#N)c1 ZINC001232964146 943448526 /nfs/dbraw/zinc/44/85/26/943448526.db2.gz QTNQQSVPVWLSDJ-CVEARBPZSA-N 1 2 271.364 1.382 20 30 CDEDLO CCc1ncnc2c1CC[N@H+](Cc1[nH]ccc1C#N)CC2 ZINC001233043473 943473710 /nfs/dbraw/zinc/47/37/10/943473710.db2.gz BDMRUZJHALBKCT-UHFFFAOYSA-N 1 2 281.363 1.840 20 30 CDEDLO CCc1ncnc2c1CC[N@@H+](Cc1[nH]ccc1C#N)CC2 ZINC001233043473 943473711 /nfs/dbraw/zinc/47/37/11/943473711.db2.gz BDMRUZJHALBKCT-UHFFFAOYSA-N 1 2 281.363 1.840 20 30 CDEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)[C@H]1C[C@H]1C ZINC001233492442 943600558 /nfs/dbraw/zinc/60/05/58/943600558.db2.gz WTJARBWVMOTTCH-KOLCDFICSA-N 1 2 289.217 1.989 20 30 CDEDLO C=C(Br)C[N@H+](C)CCCNC(=O)[C@H]1C[C@H]1C ZINC001233492442 943600562 /nfs/dbraw/zinc/60/05/62/943600562.db2.gz WTJARBWVMOTTCH-KOLCDFICSA-N 1 2 289.217 1.989 20 30 CDEDLO Cc1nocc1C[N@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234117665 943746434 /nfs/dbraw/zinc/74/64/34/943746434.db2.gz ASOJUGRUZUDFFJ-HNNXBMFYSA-N 1 2 289.379 1.675 20 30 CDEDLO Cc1nocc1C[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234117665 943746439 /nfs/dbraw/zinc/74/64/39/943746439.db2.gz ASOJUGRUZUDFFJ-HNNXBMFYSA-N 1 2 289.379 1.675 20 30 CDEDLO C=CCNC(=O)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC000585336268 943842432 /nfs/dbraw/zinc/84/24/32/943842432.db2.gz XLTHOWSTWLFTRJ-ZDUSSCGKSA-N 1 2 261.325 1.820 20 30 CDEDLO Cn1ncc2ccc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@H+]4C)cc21 ZINC001234524568 943877313 /nfs/dbraw/zinc/87/73/13/943877313.db2.gz UUVSULKZWYTDOF-KNMAVKMESA-N 1 2 285.347 1.565 20 30 CDEDLO Cn1ncc2ccc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@@H+]4C)cc21 ZINC001234524568 943877318 /nfs/dbraw/zinc/87/73/18/943877318.db2.gz UUVSULKZWYTDOF-KNMAVKMESA-N 1 2 285.347 1.565 20 30 CDEDLO CC#CCCNC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001263725010 943952985 /nfs/dbraw/zinc/95/29/85/943952985.db2.gz PZJHJGZTYRDEMT-UHFFFAOYSA-N 1 2 274.368 1.723 20 30 CDEDLO C#CCN(CC)c1nnc([C@@H]2CCC[N@@H+]2C)n1CC1CC1 ZINC001263755263 943959621 /nfs/dbraw/zinc/95/96/21/943959621.db2.gz IIZYSHLXWKGPHV-AWEZNQCLSA-N 1 2 287.411 1.914 20 30 CDEDLO C#CCN(CC)c1nnc([C@@H]2CCC[N@H+]2C)n1CC1CC1 ZINC001263755263 943959623 /nfs/dbraw/zinc/95/96/23/943959623.db2.gz IIZYSHLXWKGPHV-AWEZNQCLSA-N 1 2 287.411 1.914 20 30 CDEDLO CCc1ccc(C#CC(=O)NCCc2[nH+]ccn2C)cc1 ZINC001263922043 944033068 /nfs/dbraw/zinc/03/30/68/944033068.db2.gz OHSMLDKICYQPJN-UHFFFAOYSA-N 1 2 281.359 1.693 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C1CCC1 ZINC001235739806 944262094 /nfs/dbraw/zinc/26/20/94/944262094.db2.gz BMJNQSZRTDGACL-HOCLYGCPSA-N 1 2 292.423 1.605 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C1CCC1 ZINC001235739806 944262104 /nfs/dbraw/zinc/26/21/04/944262104.db2.gz BMJNQSZRTDGACL-HOCLYGCPSA-N 1 2 292.423 1.605 20 30 CDEDLO C#CCOc1ccccc1C[NH2+]Cc1nnc(C)n1C ZINC000393177324 944479437 /nfs/dbraw/zinc/47/94/37/944479437.db2.gz JTGDLEQQRIZFPJ-UHFFFAOYSA-N 1 2 270.336 1.425 20 30 CDEDLO COC(=O)c1c[nH]c2nc(-c3ccnc(C#N)c3)[nH+]cc21 ZINC001241182022 946182295 /nfs/dbraw/zinc/18/22/95/946182295.db2.gz DVIWVWQLLPEWMQ-UHFFFAOYSA-N 1 2 279.259 1.630 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H](NC(=O)c2cccnc2)C1 ZINC001255176488 947766636 /nfs/dbraw/zinc/76/66/36/947766636.db2.gz CCPBYVHRSKPZHG-CABCVRRESA-N 1 2 286.379 1.968 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@@H](NC(=O)c2cccnc2)C1 ZINC001255176488 947766640 /nfs/dbraw/zinc/76/66/40/947766640.db2.gz CCPBYVHRSKPZHG-CABCVRRESA-N 1 2 286.379 1.968 20 30 CDEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1[C@@H]1CCSC1 ZINC001255283839 947804636 /nfs/dbraw/zinc/80/46/36/947804636.db2.gz DCKOPOUIAUFHQJ-DGCLKSJQSA-N 1 2 294.424 1.422 20 30 CDEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1[C@@H]1CCSC1 ZINC001255283839 947804645 /nfs/dbraw/zinc/80/46/45/947804645.db2.gz DCKOPOUIAUFHQJ-DGCLKSJQSA-N 1 2 294.424 1.422 20 30 CDEDLO CCOC(=O)CC1CCC(N2CC[NH2+]C[C@H]2C#N)CC1 ZINC001258030750 948691452 /nfs/dbraw/zinc/69/14/52/948691452.db2.gz AHVHQLRPJDQMMQ-JXQTWKCFSA-N 1 2 279.384 1.296 20 30 CDEDLO N#Cc1ccn2ncc(C[N@H+]3C[C@H](F)C[C@@H](CO)C3)c2c1 ZINC001249082428 949371640 /nfs/dbraw/zinc/37/16/40/949371640.db2.gz SIVPXYGIHVSOJX-TZMCWYRMSA-N 1 2 288.326 1.358 20 30 CDEDLO N#Cc1ccn2ncc(C[N@@H+]3C[C@H](F)C[C@@H](CO)C3)c2c1 ZINC001249082428 949371663 /nfs/dbraw/zinc/37/16/63/949371663.db2.gz SIVPXYGIHVSOJX-TZMCWYRMSA-N 1 2 288.326 1.358 20 30 CDEDLO C=CCOC[C@H](O)C[NH2+][C@H](CC1CCC1)C(=O)OCC ZINC001252490684 951358975 /nfs/dbraw/zinc/35/89/75/951358975.db2.gz BPQGOFJPMRGSOL-ZIAGYGMSSA-N 1 2 285.384 1.261 20 30 CDEDLO C=C[C@](C)(O)C[N@H+](CC(=O)OCC)Cc1ccccc1 ZINC001252541859 951429525 /nfs/dbraw/zinc/42/95/25/951429525.db2.gz UZTSADFSSSEVGV-INIZCTEOSA-N 1 2 277.364 1.989 20 30 CDEDLO C=C[C@](C)(O)C[N@@H+](CC(=O)OCC)Cc1ccccc1 ZINC001252541859 951429531 /nfs/dbraw/zinc/42/95/31/951429531.db2.gz UZTSADFSSSEVGV-INIZCTEOSA-N 1 2 277.364 1.989 20 30 CDEDLO C=C[C@](C)(O)C[NH+]1CC(Oc2ccccc2F)C1 ZINC001252560285 951455388 /nfs/dbraw/zinc/45/53/88/951455388.db2.gz QQTFYJWYFHIOJD-AWEZNQCLSA-N 1 2 251.301 1.826 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001252603264 951499098 /nfs/dbraw/zinc/49/90/98/951499098.db2.gz RLBFBONAHKPGII-VPOLOUISSA-N 1 2 265.275 1.718 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001252603264 951499103 /nfs/dbraw/zinc/49/91/03/951499103.db2.gz RLBFBONAHKPGII-VPOLOUISSA-N 1 2 265.275 1.718 20 30 CDEDLO C=CCC[C@H](O)C[NH2+]Cc1[nH]ncc1C(=O)OCC ZINC001252625379 951517234 /nfs/dbraw/zinc/51/72/34/951517234.db2.gz VTWXKLIOGGWHHO-JTQLQIEISA-N 1 2 267.329 1.003 20 30 CDEDLO C=CCC[C@H](O)C[NH2+]Cc1n[nH]cc1C(=O)OCC ZINC001252625379 951517239 /nfs/dbraw/zinc/51/72/39/951517239.db2.gz VTWXKLIOGGWHHO-JTQLQIEISA-N 1 2 267.329 1.003 20 30 CDEDLO C=C[C@H](O)C[NH2+][C@@H](CC1CCCCC1)C(=O)OC ZINC001253603546 951989804 /nfs/dbraw/zinc/98/98/04/951989804.db2.gz XUYXVLDACKLCRX-STQMWFEESA-N 1 2 255.358 1.635 20 30 CDEDLO Cc1nc(C(C)(C)[NH2+]C[C@@H](O)c2cccc(C#N)c2)no1 ZINC001363216251 971987137 /nfs/dbraw/zinc/98/71/37/971987137.db2.gz PBFHSFVFZIDJOC-CYBMUJFWSA-N 1 2 286.335 1.808 20 30 CDEDLO C[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1ccn(C)n1 ZINC001326613914 954455131 /nfs/dbraw/zinc/45/51/31/954455131.db2.gz JXMGEKYKDYJOSI-JTQLQIEISA-N 1 2 281.323 1.185 20 30 CDEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1cnn(C)c1 ZINC001326690893 954493326 /nfs/dbraw/zinc/49/33/26/954493326.db2.gz SWDSXQNTEPRSIY-SREVYHEPSA-N 1 2 256.309 1.777 20 30 CDEDLO C=C(C)CN(CC)C(=O)C(=O)NCc1c[nH+]c(C)cc1C ZINC001328943978 955571549 /nfs/dbraw/zinc/57/15/49/955571549.db2.gz ZDHNSACUSHTEQW-UHFFFAOYSA-N 1 2 289.379 1.739 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1nccn1CC ZINC001492236976 955736923 /nfs/dbraw/zinc/73/69/23/955736923.db2.gz GLJBNZCMNUHKSY-UHFFFAOYSA-N 1 2 270.764 1.317 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1nccn1CC ZINC001492236976 955736927 /nfs/dbraw/zinc/73/69/27/955736927.db2.gz GLJBNZCMNUHKSY-UHFFFAOYSA-N 1 2 270.764 1.317 20 30 CDEDLO Cc1cc([N-][NH+]=Cc2cnc(N(C)C)s2)nc(N)[nH+]1 ZINC001329672414 956055254 /nfs/dbraw/zinc/05/52/54/956055254.db2.gz MIOLGVKTTZBWSJ-UHFFFAOYSA-N 1 2 277.357 1.336 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1csnn1 ZINC001422540653 956134698 /nfs/dbraw/zinc/13/46/98/956134698.db2.gz RWDNVSNOSMUVDB-QMMMGPOBSA-N 1 2 274.777 1.341 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1csnn1 ZINC001422540653 956134703 /nfs/dbraw/zinc/13/47/03/956134703.db2.gz RWDNVSNOSMUVDB-QMMMGPOBSA-N 1 2 274.777 1.341 20 30 CDEDLO Cc1cc(C)c(NC(=O)N2CCO[C@@H](C#N)C2)c(C)[nH+]1 ZINC001365914140 956443889 /nfs/dbraw/zinc/44/38/89/956443889.db2.gz URBSKWOAESEYMT-LBPRGKRZSA-N 1 2 274.324 1.763 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC2(COC)CC2)C1 ZINC001365976237 956480224 /nfs/dbraw/zinc/48/02/24/956480224.db2.gz MBGJNRCTUPFXQJ-GFCCVEGCSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC2(COC)CC2)C1 ZINC001365976237 956480231 /nfs/dbraw/zinc/48/02/31/956480231.db2.gz MBGJNRCTUPFXQJ-GFCCVEGCSA-N 1 2 286.803 1.746 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)C/C(C)=C/C(=O)OC)n1 ZINC001341411050 956796782 /nfs/dbraw/zinc/79/67/82/956796782.db2.gz JZNMFHBRAVVMAZ-JLHYYAGUSA-N 1 2 275.352 1.458 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)C/C(C)=C/C(=O)OC)n1 ZINC001341411050 956796789 /nfs/dbraw/zinc/79/67/89/956796789.db2.gz JZNMFHBRAVVMAZ-JLHYYAGUSA-N 1 2 275.352 1.458 20 30 CDEDLO C[C@H](C#N)C(=O)NCC[N@H+](C)Cc1nc2ccccc2n1C ZINC001366518483 956907707 /nfs/dbraw/zinc/90/77/07/956907707.db2.gz JMZOMWBJXIEYGN-GFCCVEGCSA-N 1 2 299.378 1.281 20 30 CDEDLO C[C@H](C#N)C(=O)NCC[N@@H+](C)Cc1nc2ccccc2n1C ZINC001366518483 956907713 /nfs/dbraw/zinc/90/77/13/956907713.db2.gz JMZOMWBJXIEYGN-GFCCVEGCSA-N 1 2 299.378 1.281 20 30 CDEDLO CN(C)C(=O)c1ccc(C[NH+]2CCC(C#N)CC2)[nH]1 ZINC001319703120 958691276 /nfs/dbraw/zinc/69/12/76/958691276.db2.gz YDKOQHURHUUKAR-UHFFFAOYSA-N 1 2 260.341 1.452 20 30 CDEDLO C=CCCOCC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001319795492 958729072 /nfs/dbraw/zinc/72/90/72/958729072.db2.gz XSRUFXKLPXMKPR-CQSZACIVSA-N 1 2 291.395 1.794 20 30 CDEDLO CC(N=Nc1nncc(N)c1Cl)c1ccc(N)[nH+]c1 ZINC001324206925 961233916 /nfs/dbraw/zinc/23/39/16/961233916.db2.gz FGPKUANUUPCKLA-UHFFFAOYSA-N 1 2 277.719 1.526 20 30 CDEDLO CC[C@@H](F)C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001419029132 961282091 /nfs/dbraw/zinc/28/20/91/961282091.db2.gz ODARZUYCQVXZKE-OAHLLOKOSA-N 1 2 289.354 1.854 20 30 CDEDLO N#Cc1cc(F)ccc1NC(=O)NCc1ccc[nH+]c1N ZINC001434708280 961798740 /nfs/dbraw/zinc/79/87/40/961798740.db2.gz JNPIVBQZAKPKEN-UHFFFAOYSA-N 1 2 285.282 1.996 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCCC(=O)NC ZINC001419960968 962293796 /nfs/dbraw/zinc/29/37/96/962293796.db2.gz OSTQUXSKXCIXHM-UHFFFAOYSA-N 1 2 289.807 1.045 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCCC(=O)NC ZINC001419960968 962293812 /nfs/dbraw/zinc/29/38/12/962293812.db2.gz OSTQUXSKXCIXHM-UHFFFAOYSA-N 1 2 289.807 1.045 20 30 CDEDLO Cc1n[nH]cc1C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001420277877 962673020 /nfs/dbraw/zinc/67/30/20/962673020.db2.gz SMJSJUVRUYKGGG-UHFFFAOYSA-N 1 2 297.362 1.452 20 30 CDEDLO Cc1n[nH]cc1C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001420277877 962673030 /nfs/dbraw/zinc/67/30/30/962673030.db2.gz SMJSJUVRUYKGGG-UHFFFAOYSA-N 1 2 297.362 1.452 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cnns1)C1CC1 ZINC001420637117 963149449 /nfs/dbraw/zinc/14/94/49/963149449.db2.gz QDUYSUYHMFFFOY-UHFFFAOYSA-N 1 2 286.788 1.485 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cnns1)C1CC1 ZINC001420637117 963149459 /nfs/dbraw/zinc/14/94/59/963149459.db2.gz QDUYSUYHMFFFOY-UHFFFAOYSA-N 1 2 286.788 1.485 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccnc(C)n1 ZINC001420661296 963167281 /nfs/dbraw/zinc/16/72/81/963167281.db2.gz YZKUQGUUQUQCFQ-JTQLQIEISA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccnc(C)n1 ZINC001420661296 963167289 /nfs/dbraw/zinc/16/72/89/963167289.db2.gz YZKUQGUUQUQCFQ-JTQLQIEISA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCc2ccncn2)C1 ZINC001421265469 963526662 /nfs/dbraw/zinc/52/66/62/963526662.db2.gz HKJWSAJBCATRHV-CYBMUJFWSA-N 1 2 294.786 1.352 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCc2ccncn2)C1 ZINC001421265469 963526668 /nfs/dbraw/zinc/52/66/68/963526668.db2.gz HKJWSAJBCATRHV-CYBMUJFWSA-N 1 2 294.786 1.352 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cnns1 ZINC001438853310 963574017 /nfs/dbraw/zinc/57/40/17/963574017.db2.gz BAPSMSYVPRZXJJ-UHFFFAOYSA-N 1 2 274.777 1.294 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cnns1 ZINC001438853310 963574029 /nfs/dbraw/zinc/57/40/29/963574029.db2.gz BAPSMSYVPRZXJJ-UHFFFAOYSA-N 1 2 274.777 1.294 20 30 CDEDLO C#CCN(CC)c1nnc([C@H]2CCC[N@@H+]2C)n1CCOC ZINC001343216387 963930308 /nfs/dbraw/zinc/93/03/08/963930308.db2.gz GCJOGSULZWVRME-CYBMUJFWSA-N 1 2 291.399 1.151 20 30 CDEDLO C#CCN(CC)c1nnc([C@H]2CCC[N@H+]2C)n1CCOC ZINC001343216387 963930315 /nfs/dbraw/zinc/93/03/15/963930315.db2.gz GCJOGSULZWVRME-CYBMUJFWSA-N 1 2 291.399 1.151 20 30 CDEDLO N#Cc1ccc2[nH]c(NC(=O)Cc3[nH]cc[nH+]3)nc2c1 ZINC001557763773 965205131 /nfs/dbraw/zinc/20/51/31/965205131.db2.gz YAUQADQNHJAZQF-UHFFFAOYSA-N 1 2 266.264 1.339 20 30 CDEDLO C#C[C@@H](C)N(C)c1nnc(Cc2[nH+]ccn2C)n1CC1CC1 ZINC001348976612 966242626 /nfs/dbraw/zinc/24/26/26/966242626.db2.gz VQQXBBPHSVNHFF-GFCCVEGCSA-N 1 2 298.394 1.470 20 30 CDEDLO Cc1nc(N(C)CCNC(=O)[C@H](C)C#N)c(C)c(C)[nH+]1 ZINC001100004979 967188955 /nfs/dbraw/zinc/18/89/55/967188955.db2.gz MHIAXBVIFJYYOP-SECBINFHSA-N 1 2 275.356 1.114 20 30 CDEDLO Cc1c(C(=O)[C@@H](C#N)c2ccncn2)ccc2c[nH+]cn21 ZINC001357624583 969632407 /nfs/dbraw/zinc/63/24/07/969632407.db2.gz PVKBFVLYUIQYOC-ZDUSSCGKSA-N 1 2 277.287 1.923 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001361934746 970692227 /nfs/dbraw/zinc/69/22/27/970692227.db2.gz BNVXENJDKDSMBF-LBPRGKRZSA-N 1 2 296.330 1.964 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCc1ccncn1 ZINC001496710091 973058846 /nfs/dbraw/zinc/05/88/46/973058846.db2.gz OWVRAVFHDXBYGS-UHFFFAOYSA-N 1 2 296.802 1.552 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCc1ccncn1 ZINC001496710091 973058858 /nfs/dbraw/zinc/05/88/58/973058858.db2.gz OWVRAVFHDXBYGS-UHFFFAOYSA-N 1 2 296.802 1.552 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1[nH]cnc1C ZINC001378245385 975306193 /nfs/dbraw/zinc/30/61/93/975306193.db2.gz AEDGSYBBCYOCOS-SECBINFHSA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1[nH]cnc1C ZINC001378245385 975306198 /nfs/dbraw/zinc/30/61/98/975306198.db2.gz AEDGSYBBCYOCOS-SECBINFHSA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1nn(C)cc1C ZINC001379046514 975621101 /nfs/dbraw/zinc/62/11/01/975621101.db2.gz WFEJKILPUFMDSC-UHFFFAOYSA-N 1 2 284.791 1.485 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1nn(C)cc1C ZINC001379046514 975621105 /nfs/dbraw/zinc/62/11/05/975621105.db2.gz WFEJKILPUFMDSC-UHFFFAOYSA-N 1 2 284.791 1.485 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCc2ccncc2)C1 ZINC001398309340 975939024 /nfs/dbraw/zinc/93/90/24/975939024.db2.gz MUXIHVCUVMTJAP-AWEZNQCLSA-N 1 2 293.798 1.957 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCc2ccncc2)C1 ZINC001398309340 975939037 /nfs/dbraw/zinc/93/90/37/975939037.db2.gz MUXIHVCUVMTJAP-AWEZNQCLSA-N 1 2 293.798 1.957 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(CC)n(C)n1 ZINC001401830320 975943225 /nfs/dbraw/zinc/94/32/25/975943225.db2.gz XCOPMIVFKKEMCB-NSHDSACASA-N 1 2 298.818 1.785 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc(CC)n(C)n1 ZINC001401830320 975943231 /nfs/dbraw/zinc/94/32/31/975943231.db2.gz XCOPMIVFKKEMCB-NSHDSACASA-N 1 2 298.818 1.785 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)Cn2cc(C)cn2)C1 ZINC001407147147 976570714 /nfs/dbraw/zinc/57/07/14/976570714.db2.gz IHTBONHRQRUQBE-CQSZACIVSA-N 1 2 296.802 1.525 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc(C)cn2)C1 ZINC001407147147 976570725 /nfs/dbraw/zinc/57/07/25/976570725.db2.gz IHTBONHRQRUQBE-CQSZACIVSA-N 1 2 296.802 1.525 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cccnc1OC ZINC001381570769 976925174 /nfs/dbraw/zinc/92/51/74/976925174.db2.gz WCLURQAUSORPPC-NSHDSACASA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cccnc1OC ZINC001381570769 976925185 /nfs/dbraw/zinc/92/51/85/976925185.db2.gz WCLURQAUSORPPC-NSHDSACASA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@H]2CCCCO2)C1 ZINC001400460831 977043531 /nfs/dbraw/zinc/04/35/31/977043531.db2.gz FCFWONYLPKYHNW-CYBMUJFWSA-N 1 2 286.803 1.746 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+]Cc1nc([C@H](C)OC)no1 ZINC001133154808 1163585404 /nfs/dbraw/zinc/58/54/04/1163585404.db2.gz TXFUNXKDODNZCE-NSHDSACASA-N 1 2 296.371 1.339 20 30 CDEDLO Cc1ccc2[nH+]c(CN3CC(O)(CC#N)C3)cn2c1 ZINC000585767418 342456141 /nfs/dbraw/zinc/45/61/41/342456141.db2.gz QFGSSKJGAQHNDG-UHFFFAOYSA-N 1 2 256.309 1.103 20 30 CDEDLO Cc1cc(NC(=O)c2cccc(C#N)n2)c(C)c[nH+]1 ZINC000589457576 342506421 /nfs/dbraw/zinc/50/64/21/342506421.db2.gz FCGZQVSJNPYHNO-UHFFFAOYSA-N 1 2 252.277 1.639 20 30 CDEDLO CC[C@H](NC(=O)c1cccc(C#N)n1)c1[nH]cc[nH+]1 ZINC000589488892 342507376 /nfs/dbraw/zinc/50/73/76/342507376.db2.gz XPCQJMHAPIYLSQ-JTQLQIEISA-N 1 2 255.281 1.557 20 30 CDEDLO COCC[N@H+](CCC#N)C[C@@H](O)Cc1ccc(F)cc1 ZINC000590162477 342523585 /nfs/dbraw/zinc/52/35/85/342523585.db2.gz NEOOPKOUQQNMMU-HNNXBMFYSA-N 1 2 280.343 1.591 20 30 CDEDLO COCC[N@@H+](CCC#N)C[C@@H](O)Cc1ccc(F)cc1 ZINC000590162477 342523586 /nfs/dbraw/zinc/52/35/86/342523586.db2.gz NEOOPKOUQQNMMU-HNNXBMFYSA-N 1 2 280.343 1.591 20 30 CDEDLO N#Cc1ccnc(N2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000025941491 342054299 /nfs/dbraw/zinc/05/42/99/342054299.db2.gz DUYICSOERLEKFZ-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1ccc(C)cn1 ZINC000590754704 342587836 /nfs/dbraw/zinc/58/78/36/342587836.db2.gz PJHIBGKUOWHVBK-UHFFFAOYSA-N 1 2 274.368 1.584 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1ccc(C)cn1 ZINC000590754704 342587837 /nfs/dbraw/zinc/58/78/37/342587837.db2.gz PJHIBGKUOWHVBK-UHFFFAOYSA-N 1 2 274.368 1.584 20 30 CDEDLO Cc1cccn2cc(CN3CCO[C@@H](C#N)C3)[nH+]c12 ZINC000609281911 342100040 /nfs/dbraw/zinc/10/00/40/342100040.db2.gz UWFNCXYGFMYGQA-ZDUSSCGKSA-N 1 2 256.309 1.367 20 30 CDEDLO C[C@H](C#N)CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611627027 346833071 /nfs/dbraw/zinc/83/30/71/346833071.db2.gz SIWWWEXZGVVKNT-VXGBXAGGSA-N 1 2 261.329 1.389 20 30 CDEDLO Cc1cc(CNc2ccc(N(C)CCO)c[nH+]2)ccc1C#N ZINC000618194702 342142644 /nfs/dbraw/zinc/14/26/44/342142644.db2.gz SLWMDKHMLSLVRN-UHFFFAOYSA-N 1 2 296.374 1.724 20 30 CDEDLO N#Cc1cccc(C2=NN(CC[NH+]3CCCCC3)C(=O)C2)c1 ZINC000601935111 342145559 /nfs/dbraw/zinc/14/55/59/342145559.db2.gz POCQGAKAIZAOND-UHFFFAOYSA-N 1 2 296.374 1.981 20 30 CDEDLO N#Cc1cccc(-c2cc(=O)n(CC[NH+]3CCCCC3)[nH]2)c1 ZINC000601935111 342145560 /nfs/dbraw/zinc/14/55/60/342145560.db2.gz POCQGAKAIZAOND-UHFFFAOYSA-N 1 2 296.374 1.981 20 30 CDEDLO C=C[C@H]([NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)C(=O)OC ZINC000590758012 342643941 /nfs/dbraw/zinc/64/39/41/342643941.db2.gz KPEIOOJZSKYGCY-AGIUHOORSA-N 1 2 257.374 1.593 20 30 CDEDLO C=C[C@H]([NH2+][C@H]([C@@H](CO)C1CC1)C1CC1)C(=O)OC ZINC000590758007 342643995 /nfs/dbraw/zinc/64/39/95/342643995.db2.gz CTXJZLDRCDBQPU-AVGNSLFASA-N 1 2 253.342 1.101 20 30 CDEDLO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147141 342673945 /nfs/dbraw/zinc/67/39/45/342673945.db2.gz MCCICXUIZHENAD-ABAIWWIYSA-N 1 2 299.334 1.543 20 30 CDEDLO C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147141 342673946 /nfs/dbraw/zinc/67/39/46/342673946.db2.gz MCCICXUIZHENAD-ABAIWWIYSA-N 1 2 299.334 1.543 20 30 CDEDLO C#CCN(CC)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000056595527 342150106 /nfs/dbraw/zinc/15/01/06/342150106.db2.gz RPOJYBONXQUIGG-UHFFFAOYSA-N 1 2 270.336 1.542 20 30 CDEDLO Cn1c2ccccc2[nH+]c1N1CC[C@](O)(CC#N)C1 ZINC000591975984 342661127 /nfs/dbraw/zinc/66/11/27/342661127.db2.gz RSBOPSWJVLJQPB-CQSZACIVSA-N 1 2 256.309 1.428 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000592522742 342702320 /nfs/dbraw/zinc/70/23/20/342702320.db2.gz QVSRHTWOBCEHQO-GXTWGEPZSA-N 1 2 293.392 1.845 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000592522742 342702321 /nfs/dbraw/zinc/70/23/21/342702321.db2.gz QVSRHTWOBCEHQO-GXTWGEPZSA-N 1 2 293.392 1.845 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000592525819 342703222 /nfs/dbraw/zinc/70/32/22/342703222.db2.gz SRMDRWMBGQOJLW-CQSZACIVSA-N 1 2 258.325 1.204 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000592525819 342703223 /nfs/dbraw/zinc/70/32/23/342703223.db2.gz SRMDRWMBGQOJLW-CQSZACIVSA-N 1 2 258.325 1.204 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cccc(O)c2Cl)C1 ZINC000592526274 342703242 /nfs/dbraw/zinc/70/32/42/342703242.db2.gz WPOPFZMHJUVPRH-ZDUSSCGKSA-N 1 2 266.728 1.896 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cccc(O)c2Cl)C1 ZINC000592526274 342703243 /nfs/dbraw/zinc/70/32/43/342703243.db2.gz WPOPFZMHJUVPRH-ZDUSSCGKSA-N 1 2 266.728 1.896 20 30 CDEDLO Cc1cc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)n(CCC#N)n1 ZINC000592946626 342748938 /nfs/dbraw/zinc/74/89/38/342748938.db2.gz SNVLWPOFYPEVMG-GFCCVEGCSA-N 1 2 298.350 1.503 20 30 CDEDLO CC[C@@H]1COC(C)(C)C[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000593058007 342760243 /nfs/dbraw/zinc/76/02/43/342760243.db2.gz ZSFLMRAEBJOSEC-CJNGLKHVSA-N 1 2 293.411 1.684 20 30 CDEDLO CC[C@@H]1COC(C)(C)C[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000593058007 342760244 /nfs/dbraw/zinc/76/02/44/342760244.db2.gz ZSFLMRAEBJOSEC-CJNGLKHVSA-N 1 2 293.411 1.684 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N(CC)CCC#N)[C@@H](CC)CO1 ZINC000593059401 342760615 /nfs/dbraw/zinc/76/06/15/342760615.db2.gz QHULCJUSGJVVIU-UONOGXRCSA-N 1 2 281.400 1.638 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)CCC#N)[C@@H](CC)CO1 ZINC000593059401 342760616 /nfs/dbraw/zinc/76/06/16/342760616.db2.gz QHULCJUSGJVVIU-UONOGXRCSA-N 1 2 281.400 1.638 20 30 CDEDLO CO[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccccc1 ZINC000564535346 361883453 /nfs/dbraw/zinc/88/34/53/361883453.db2.gz KLXIFTBISDTNNA-HIFRSBDPSA-N 1 2 275.352 1.334 20 30 CDEDLO CC[C@H](C#N)C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000593417252 342799625 /nfs/dbraw/zinc/79/96/25/342799625.db2.gz BSFPWEUISOKXKP-LLVKDONJSA-N 1 2 256.309 1.809 20 30 CDEDLO CC[C@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)[C@@H](C)CO1 ZINC000593666719 342820415 /nfs/dbraw/zinc/82/04/15/342820415.db2.gz QIUFBRIEJIHSTL-FZMZJTMJSA-N 1 2 285.351 1.600 20 30 CDEDLO CC[C@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)[C@@H](C)CO1 ZINC000593666719 342820417 /nfs/dbraw/zinc/82/04/17/342820417.db2.gz QIUFBRIEJIHSTL-FZMZJTMJSA-N 1 2 285.351 1.600 20 30 CDEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccco3)CC2)nc1 ZINC000593943565 342859729 /nfs/dbraw/zinc/85/97/29/342859729.db2.gz OZKRQRWBUONZKT-UHFFFAOYSA-N 1 2 282.347 1.864 20 30 CDEDLO C[C@@H](C#N)NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000594255555 342885067 /nfs/dbraw/zinc/88/50/67/342885067.db2.gz ONYKPJSZLNQMPW-YUMQZZPRSA-N 1 2 274.246 1.484 20 30 CDEDLO Cn1ncc2c1nc(N)[nH+]c2N1CCC(CCC#N)CC1 ZINC000594586340 342921741 /nfs/dbraw/zinc/92/17/41/342921741.db2.gz VIPCDSLZJNYODS-UHFFFAOYSA-N 1 2 285.355 1.296 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCc1ccc(C#N)cc1 ZINC000042533344 342267141 /nfs/dbraw/zinc/26/71/41/342267141.db2.gz VPNJILIOAKVCET-ZDUSSCGKSA-N 1 2 282.347 1.892 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H](CC#N)C1 ZINC000594685241 342941227 /nfs/dbraw/zinc/94/12/27/342941227.db2.gz GINQPJJIZYPFHI-QWHCGFSZSA-N 1 2 275.356 1.607 20 30 CDEDLO CCN1CC[C@H]([NH+]2CCN(c3ccccc3C#N)CC2)C1=O ZINC000595302135 343028536 /nfs/dbraw/zinc/02/85/36/343028536.db2.gz RWWSJUHWQJWWFY-INIZCTEOSA-N 1 2 298.390 1.301 20 30 CDEDLO CC[C@H](C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000354955193 529629690 /nfs/dbraw/zinc/62/96/90/529629690.db2.gz XOBYKTSPXIMGTE-ZDUSSCGKSA-N 1 2 267.373 1.107 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)N1CCC[C@H](CC#N)C1 ZINC000595518044 343074110 /nfs/dbraw/zinc/07/41/10/343074110.db2.gz YRIYASJVDCKUDL-LLVKDONJSA-N 1 2 261.329 1.255 20 30 CDEDLO C[C@]1(C#N)CCC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000599362531 344026465 /nfs/dbraw/zinc/02/64/65/344026465.db2.gz OYGQYKJUEGMJAE-NVXWUHKLSA-N 1 2 299.374 1.924 20 30 CDEDLO C[C@]1(C#N)CCC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000599362531 344026467 /nfs/dbraw/zinc/02/64/67/344026467.db2.gz OYGQYKJUEGMJAE-NVXWUHKLSA-N 1 2 299.374 1.924 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595558893 343097319 /nfs/dbraw/zinc/09/73/19/343097319.db2.gz RFSCKCGLDJHXJE-ZDUSSCGKSA-N 1 2 279.271 1.584 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595558893 343097320 /nfs/dbraw/zinc/09/73/20/343097320.db2.gz RFSCKCGLDJHXJE-ZDUSSCGKSA-N 1 2 279.271 1.584 20 30 CDEDLO COCc1noc([C@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595620263 343111069 /nfs/dbraw/zinc/11/10/69/343111069.db2.gz LEEGSMRHHBHUGJ-QWRGUYRKSA-N 1 2 264.329 1.903 20 30 CDEDLO COCc1noc([C@H](C)[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595620263 343111070 /nfs/dbraw/zinc/11/10/70/343111070.db2.gz LEEGSMRHHBHUGJ-QWRGUYRKSA-N 1 2 264.329 1.903 20 30 CDEDLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595623204 343111902 /nfs/dbraw/zinc/11/19/02/343111902.db2.gz JQYFWSWWROWPJY-WDEREUQCSA-N 1 2 260.345 1.695 20 30 CDEDLO C[C@@H](c1nnnn1C1CC1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595623204 343111903 /nfs/dbraw/zinc/11/19/03/343111903.db2.gz JQYFWSWWROWPJY-WDEREUQCSA-N 1 2 260.345 1.695 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1c1cc(C)on1 ZINC000079952242 342348940 /nfs/dbraw/zinc/34/89/40/342348940.db2.gz XIXADBRQPGJPJK-AWEZNQCLSA-N 1 2 290.367 1.882 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1c1cc(C)on1 ZINC000079952242 342348941 /nfs/dbraw/zinc/34/89/41/342348941.db2.gz XIXADBRQPGJPJK-AWEZNQCLSA-N 1 2 290.367 1.882 20 30 CDEDLO CC[N@H+](C[C@@H](O)Cc1ccc(F)cc1)[C@H](C)C#N ZINC000595820597 343165951 /nfs/dbraw/zinc/16/59/51/343165951.db2.gz MZNDAQDOYRPRHZ-RISCZKNCSA-N 1 2 250.317 1.963 20 30 CDEDLO CC[N@@H+](C[C@@H](O)Cc1ccc(F)cc1)[C@H](C)C#N ZINC000595820597 343165952 /nfs/dbraw/zinc/16/59/52/343165952.db2.gz MZNDAQDOYRPRHZ-RISCZKNCSA-N 1 2 250.317 1.963 20 30 CDEDLO N#Cc1cnnc(NCCCCNc2cccc[nH+]2)c1 ZINC000596103299 343227535 /nfs/dbraw/zinc/22/75/35/343227535.db2.gz DGKUSJMYYJKGTG-UHFFFAOYSA-N 1 2 268.324 1.469 20 30 CDEDLO Cc1[nH+]c(NCCCC#N)nc(NCCCC#N)c1F ZINC000596191285 343253233 /nfs/dbraw/zinc/25/32/33/343253233.db2.gz NMUOOFRRCZECNO-UHFFFAOYSA-N 1 2 276.319 1.199 20 30 CDEDLO N#Cc1cncnc1NCc1ccc[nH+]c1N1CCCC1 ZINC000596357436 343309847 /nfs/dbraw/zinc/30/98/47/343309847.db2.gz QRIMCVHHVJBTBP-UHFFFAOYSA-N 1 2 280.335 1.377 20 30 CDEDLO Cc1cc(N2CC[C@@H](CN3CCCC3=O)C2)c(C#N)c[nH+]1 ZINC000596525271 343334460 /nfs/dbraw/zinc/33/44/60/343334460.db2.gz LXULPYJJFHZWJH-CYBMUJFWSA-N 1 2 284.363 1.710 20 30 CDEDLO Cc1nnc(N[C@@H](C)c2[nH+]ccn2C)c(C#N)c1C ZINC000596542428 343346751 /nfs/dbraw/zinc/34/67/51/343346751.db2.gz IEUKCACEPACVMG-JTQLQIEISA-N 1 2 256.313 1.872 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1CC#N ZINC000600997532 342445160 /nfs/dbraw/zinc/44/51/60/342445160.db2.gz GCZMGBNWKWYMDG-CYBMUJFWSA-N 1 2 287.363 1.203 20 30 CDEDLO O=C(NC[C@H]1CCCS1(=O)=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330249626 362191118 /nfs/dbraw/zinc/19/11/18/362191118.db2.gz ZZETYUOFJHGBPP-NEPJUHHUSA-N 1 2 286.397 1.147 20 30 CDEDLO O=C(NC[C@H]1CCCS1(=O)=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330249626 362191122 /nfs/dbraw/zinc/19/11/22/362191122.db2.gz ZZETYUOFJHGBPP-NEPJUHHUSA-N 1 2 286.397 1.147 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(C#N)CCCCC1 ZINC000597034860 343432774 /nfs/dbraw/zinc/43/27/74/343432774.db2.gz SPUHLGQMZSHDJK-VXGBXAGGSA-N 1 2 272.352 1.866 20 30 CDEDLO C[C@H]1CCN(c2nccnc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000134063247 136390823 /nfs/dbraw/zinc/39/08/23/136390823.db2.gz KDOVAXCTMCIFFE-AAEUAGOBSA-N 1 2 268.324 1.632 20 30 CDEDLO N#Cc1cccnc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000045733234 412504890 /nfs/dbraw/zinc/50/48/90/412504890.db2.gz SVLXLBGXTYFHBM-UHFFFAOYSA-N 1 2 295.346 1.797 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C2CC2)C(F)(F)F)C1 ZINC000329251267 529787910 /nfs/dbraw/zinc/78/79/10/529787910.db2.gz UTUKSUGVUDADQR-NXEZZACHSA-N 1 2 295.305 1.162 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@H](C2CC2)C(F)(F)F)C1 ZINC000329251267 529787911 /nfs/dbraw/zinc/78/79/11/529787911.db2.gz UTUKSUGVUDADQR-NXEZZACHSA-N 1 2 295.305 1.162 20 30 CDEDLO C=C[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)C(=O)OC ZINC000619703918 349860248 /nfs/dbraw/zinc/86/02/48/349860248.db2.gz UJQRXNFXDDAVEH-NWDGAFQWSA-N 1 2 253.342 1.795 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000353295276 529842508 /nfs/dbraw/zinc/84/25/08/529842508.db2.gz MHNWBIIAPHYCJB-AWEZNQCLSA-N 1 2 293.411 1.638 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000353295276 529842509 /nfs/dbraw/zinc/84/25/09/529842509.db2.gz MHNWBIIAPHYCJB-AWEZNQCLSA-N 1 2 293.411 1.638 20 30 CDEDLO CCN(C(=O)C1CC[NH+](CC(F)F)CC1)[C@@H](C)C#N ZINC000598362531 343777642 /nfs/dbraw/zinc/77/76/42/343777642.db2.gz GHVNEQGMYLWZCI-JTQLQIEISA-N 1 2 273.327 1.724 20 30 CDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(C(=O)NCCCCC)CC1 ZINC000619716552 349866807 /nfs/dbraw/zinc/86/68/07/349866807.db2.gz UNDIHCUBOYFWOT-CQSZACIVSA-N 1 2 296.411 1.732 20 30 CDEDLO C[C@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1[nH+]ccn1C ZINC000598460963 343805427 /nfs/dbraw/zinc/80/54/27/343805427.db2.gz YBBNHTZOQMHTBB-RYUDHWBXSA-N 1 2 298.346 1.936 20 30 CDEDLO Cc1cc(C)c(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c(=O)[nH]1 ZINC000330318512 362348356 /nfs/dbraw/zinc/34/83/56/362348356.db2.gz QYBQQFHSJTWPEZ-NSHDSACASA-N 1 2 286.335 1.920 20 30 CDEDLO Cc1cn2ccc(C(=O)N3CCOC[C@H]3C#N)cc2[nH+]1 ZINC000602109012 344338457 /nfs/dbraw/zinc/33/84/57/344338457.db2.gz MHNXHMBFBBTWIV-GFCCVEGCSA-N 1 2 270.292 1.007 20 30 CDEDLO CCC[C@H](C[N@H+](CCC#N)CCN1CCOCC1)OC ZINC000602425273 344421732 /nfs/dbraw/zinc/42/17/32/344421732.db2.gz OMPTZUFGSNEFAM-OAHLLOKOSA-N 1 2 283.416 1.349 20 30 CDEDLO CCC[C@H](C[N@@H+](CCC#N)CCN1CCOCC1)OC ZINC000602425273 344421734 /nfs/dbraw/zinc/42/17/34/344421734.db2.gz OMPTZUFGSNEFAM-OAHLLOKOSA-N 1 2 283.416 1.349 20 30 CDEDLO CCC[C@H](CN(CCC#N)CC[NH+]1CCOCC1)OC ZINC000602425273 344421736 /nfs/dbraw/zinc/42/17/36/344421736.db2.gz OMPTZUFGSNEFAM-OAHLLOKOSA-N 1 2 283.416 1.349 20 30 CDEDLO COC(=O)[C@@H]1CC[N@H+](C[C@H](C)CCC#N)[C@@H](C(=O)OC)C1 ZINC000602601624 344505708 /nfs/dbraw/zinc/50/57/08/344505708.db2.gz AEDQEKREUYPZBZ-JHJVBQTASA-N 1 2 296.367 1.353 20 30 CDEDLO COC(=O)[C@@H]1CC[N@@H+](C[C@H](C)CCC#N)[C@@H](C(=O)OC)C1 ZINC000602601624 344505709 /nfs/dbraw/zinc/50/57/09/344505709.db2.gz AEDQEKREUYPZBZ-JHJVBQTASA-N 1 2 296.367 1.353 20 30 CDEDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@@H](C)C#N ZINC000602772050 344576394 /nfs/dbraw/zinc/57/63/94/344576394.db2.gz NFBSZZXHOWGPQO-VIFPVBQESA-N 1 2 251.290 1.191 20 30 CDEDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@@H](C)C#N ZINC000602772050 344576395 /nfs/dbraw/zinc/57/63/95/344576395.db2.gz NFBSZZXHOWGPQO-VIFPVBQESA-N 1 2 251.290 1.191 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCc1ccc(Cl)cc1 ZINC000602865847 344638254 /nfs/dbraw/zinc/63/82/54/344638254.db2.gz ZRZDMJTZAAPTCL-SNVBAGLBSA-N 1 2 265.744 1.848 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000602865679 344638382 /nfs/dbraw/zinc/63/83/82/344638382.db2.gz XKBZACJTYGQADP-LPWJVIDDSA-N 1 2 251.374 1.962 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCCCOc1ccccc1F ZINC000602864616 344638506 /nfs/dbraw/zinc/63/85/06/344638506.db2.gz TVPAUONNWQOSBD-LBPRGKRZSA-N 1 2 293.342 1.603 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000602868588 344640021 /nfs/dbraw/zinc/64/00/21/344640021.db2.gz JPDOPNCDLWGBBQ-SNVBAGLBSA-N 1 2 276.296 1.449 20 30 CDEDLO CCCCc1nnc(NC(=O)C[NH2+][C@@H](C)CC#N)s1 ZINC000602869367 344640785 /nfs/dbraw/zinc/64/07/85/344640785.db2.gz NPVIGAHUNWFGOR-VIFPVBQESA-N 1 2 281.385 1.711 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000291099478 344690061 /nfs/dbraw/zinc/69/00/61/344690061.db2.gz BJNMIIPJQOVGSK-AWEZNQCLSA-N 1 2 293.330 1.290 20 30 CDEDLO CCCCNC(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609484940 344915304 /nfs/dbraw/zinc/91/53/04/344915304.db2.gz HCDLDUIXBWOMDL-CQSZACIVSA-N 1 2 280.416 1.068 20 30 CDEDLO CC(C)[C@@H](C)NC(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609486192 344915319 /nfs/dbraw/zinc/91/53/19/344915319.db2.gz FTLIAKOFXYYVMX-HUUCEWRRSA-N 1 2 294.443 1.313 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@H+](CC1(C#N)CC1)C[C@@H](C)O2 ZINC000447831291 362526198 /nfs/dbraw/zinc/52/61/98/362526198.db2.gz KWJGVZORYBVZML-DYEKYZERSA-N 1 2 250.342 1.558 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC1(C#N)CC1)C[C@@H](C)O2 ZINC000447831291 362526202 /nfs/dbraw/zinc/52/62/02/362526202.db2.gz KWJGVZORYBVZML-DYEKYZERSA-N 1 2 250.342 1.558 20 30 CDEDLO C=CCNC(=O)[C@H](C)N1CC[NH+](Cc2ccsc2)CC1 ZINC000052711971 345301543 /nfs/dbraw/zinc/30/15/43/345301543.db2.gz UYFHGJXYDWRKDX-ZDUSSCGKSA-N 1 2 293.436 1.556 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccsc2)CC1 ZINC000052711971 345301546 /nfs/dbraw/zinc/30/15/46/345301546.db2.gz UYFHGJXYDWRKDX-ZDUSSCGKSA-N 1 2 293.436 1.556 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC(C)(C)OCC1(C)C ZINC000609671480 345988289 /nfs/dbraw/zinc/98/82/89/345988289.db2.gz BGEJJOHUWUPEFM-MRXNPFEDSA-N 1 2 295.427 1.930 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC(C)(C)OCC1(C)C ZINC000609671480 345988293 /nfs/dbraw/zinc/98/82/93/345988293.db2.gz BGEJJOHUWUPEFM-MRXNPFEDSA-N 1 2 295.427 1.930 20 30 CDEDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000295121737 199356887 /nfs/dbraw/zinc/35/68/87/199356887.db2.gz NJTKJFRJUWJVED-AWEZNQCLSA-N 1 2 273.336 1.831 20 30 CDEDLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000295121737 199356888 /nfs/dbraw/zinc/35/68/88/199356888.db2.gz NJTKJFRJUWJVED-AWEZNQCLSA-N 1 2 273.336 1.831 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)ccn1 ZINC000403995438 346181262 /nfs/dbraw/zinc/18/12/62/346181262.db2.gz KJNGQORZDIEGAT-LLVKDONJSA-N 1 2 267.279 1.403 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)ccn1 ZINC000403995438 346181265 /nfs/dbraw/zinc/18/12/65/346181265.db2.gz KJNGQORZDIEGAT-LLVKDONJSA-N 1 2 267.279 1.403 20 30 CDEDLO Cc1cccn2cc(CCNC(=O)N(C)C[C@@H](C)C#N)[nH+]c12 ZINC000610461758 346287393 /nfs/dbraw/zinc/28/73/93/346287393.db2.gz GRCYRGXKVYNKIQ-LBPRGKRZSA-N 1 2 299.378 1.986 20 30 CDEDLO CCc1cc(NCC2CCN(CC#N)CC2)nc[nH+]1 ZINC000610755606 346394225 /nfs/dbraw/zinc/39/42/25/346394225.db2.gz JSFQZSJJIPJAEO-UHFFFAOYSA-N 1 2 259.357 1.108 20 30 CDEDLO C=C(CC)C[N@@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000611348348 346754170 /nfs/dbraw/zinc/75/41/70/346754170.db2.gz VTBZDVKDKVHKRK-GFCCVEGCSA-N 1 2 255.358 1.995 20 30 CDEDLO C=C(CC)C[N@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000611348348 346754173 /nfs/dbraw/zinc/75/41/73/346754173.db2.gz VTBZDVKDKVHKRK-GFCCVEGCSA-N 1 2 255.358 1.995 20 30 CDEDLO CC[N@@H+](CC(=O)NC(=O)Nc1ccccc1)C[C@@H](C)C#N ZINC000064248741 347469862 /nfs/dbraw/zinc/46/98/62/347469862.db2.gz SMTNYTBKHVLFCT-LBPRGKRZSA-N 1 2 288.351 1.816 20 30 CDEDLO CC[N@H+](CC(=O)NC(=O)Nc1ccccc1)C[C@@H](C)C#N ZINC000064248741 347469864 /nfs/dbraw/zinc/46/98/64/347469864.db2.gz SMTNYTBKHVLFCT-LBPRGKRZSA-N 1 2 288.351 1.816 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(F)c(F)c1 ZINC000414149405 362924435 /nfs/dbraw/zinc/92/44/35/362924435.db2.gz UMUNLKCDCRDRSH-SNVBAGLBSA-N 1 2 270.279 1.550 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(F)c(F)c1 ZINC000414149405 362924440 /nfs/dbraw/zinc/92/44/40/362924440.db2.gz UMUNLKCDCRDRSH-SNVBAGLBSA-N 1 2 270.279 1.550 20 30 CDEDLO COC(=O)CCC/[NH+]=C/c1ccc(O)c(O)c1O ZINC000022729041 348540456 /nfs/dbraw/zinc/54/04/56/348540456.db2.gz IECHLFAAVFGTFM-NTUHNPAUSA-N 1 2 253.254 1.176 20 30 CDEDLO N#C[C@@]1(F)CCN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000615581305 348596829 /nfs/dbraw/zinc/59/68/29/348596829.db2.gz JXVOSOQJZPPTKF-AWEZNQCLSA-N 1 2 272.283 1.341 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2c(C)noc2C(C)C)CC1 ZINC000064443006 348941107 /nfs/dbraw/zinc/94/11/07/348941107.db2.gz FQYBDKPPIASVHP-UHFFFAOYSA-N 1 2 289.379 1.888 20 30 CDEDLO CC(C)[C@@H](C)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000067922698 349042157 /nfs/dbraw/zinc/04/21/57/349042157.db2.gz ZIBSZMAHNSIPJY-HNNXBMFYSA-N 1 2 295.427 1.743 20 30 CDEDLO CCn1cc(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)cn1 ZINC000072982102 349144139 /nfs/dbraw/zinc/14/41/39/349144139.db2.gz SQMKFUYYHUZXOC-HNNXBMFYSA-N 1 2 289.383 1.143 20 30 CDEDLO CCn1cc(C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)cn1 ZINC000072982102 349144143 /nfs/dbraw/zinc/14/41/43/349144143.db2.gz SQMKFUYYHUZXOC-HNNXBMFYSA-N 1 2 289.383 1.143 20 30 CDEDLO CO[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)CCO1 ZINC000602897670 350161337 /nfs/dbraw/zinc/16/13/37/350161337.db2.gz NTRHAZJWWWVZGA-LBPRGKRZSA-N 1 2 295.364 1.253 20 30 CDEDLO CO[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)CCO1 ZINC000602897670 350161341 /nfs/dbraw/zinc/16/13/41/350161341.db2.gz NTRHAZJWWWVZGA-LBPRGKRZSA-N 1 2 295.364 1.253 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(C#N)cc2)CCO1 ZINC000604563259 350377362 /nfs/dbraw/zinc/37/73/62/350377362.db2.gz VEOABTCQPXNULR-GFCCVEGCSA-N 1 2 273.336 1.009 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)cc2)CCO1 ZINC000604563259 350377364 /nfs/dbraw/zinc/37/73/64/350377364.db2.gz VEOABTCQPXNULR-GFCCVEGCSA-N 1 2 273.336 1.009 20 30 CDEDLO Cc1nnc(N[C@@H](C)C[NH+]2CCN(C)CC2)c(C#N)c1C ZINC000106483394 186120195 /nfs/dbraw/zinc/12/01/95/186120195.db2.gz NSXQSKCLSLKGDF-NSHDSACASA-N 1 2 288.399 1.013 20 30 CDEDLO C=CC[N@H+](Cc1nnnn1-c1ccccc1)C1CC1 ZINC000271377307 191106215 /nfs/dbraw/zinc/10/62/15/191106215.db2.gz HVOWWTXOOPVDNI-UHFFFAOYSA-N 1 2 255.325 1.813 20 30 CDEDLO C=CC[N@@H+](Cc1nnnn1-c1ccccc1)C1CC1 ZINC000271377307 191106220 /nfs/dbraw/zinc/10/62/20/191106220.db2.gz HVOWWTXOOPVDNI-UHFFFAOYSA-N 1 2 255.325 1.813 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H]2Cc3ccccc3NC2=O)nn1 ZINC000623722012 351262155 /nfs/dbraw/zinc/26/21/55/351262155.db2.gz ZMTHOMLENXUOBK-OAHLLOKOSA-N 1 2 297.362 1.507 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc[nH+]cc1C ZINC000569800468 363084933 /nfs/dbraw/zinc/08/49/33/363084933.db2.gz JKRIBZMLKHUMQC-OLZOCXBDSA-N 1 2 261.325 1.667 20 30 CDEDLO CC(C)[C@H](C#N)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000264743199 363141038 /nfs/dbraw/zinc/14/10/38/363141038.db2.gz JYBNYULWXLWPIM-LBPRGKRZSA-N 1 2 256.309 1.541 20 30 CDEDLO Cc1nnc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)[nH]1 ZINC000292044434 198144511 /nfs/dbraw/zinc/14/45/11/198144511.db2.gz ASQWYMZEAFWDPO-GFCCVEGCSA-N 1 2 284.323 1.033 20 30 CDEDLO Cc1nnc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)[nH]1 ZINC000292044434 198144513 /nfs/dbraw/zinc/14/45/13/198144513.db2.gz ASQWYMZEAFWDPO-GFCCVEGCSA-N 1 2 284.323 1.033 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](CO)C1 ZINC000047865709 363198548 /nfs/dbraw/zinc/19/85/48/363198548.db2.gz LGCWTRPNQYFZKD-SNVBAGLBSA-N 1 2 279.365 1.263 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000047865709 363198552 /nfs/dbraw/zinc/19/85/52/363198552.db2.gz LGCWTRPNQYFZKD-SNVBAGLBSA-N 1 2 279.365 1.263 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000156499871 188265675 /nfs/dbraw/zinc/26/56/75/188265675.db2.gz NWEVNDKRTGDWTI-QWHCGFSZSA-N 1 2 252.358 1.296 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000156499871 188265676 /nfs/dbraw/zinc/26/56/76/188265676.db2.gz NWEVNDKRTGDWTI-QWHCGFSZSA-N 1 2 252.358 1.296 20 30 CDEDLO C#Cc1ccc(C[NH+]2CCC(CS(C)(=O)=O)CC2)cc1 ZINC000292689911 198378183 /nfs/dbraw/zinc/37/81/83/198378183.db2.gz BGXJESCOCQFXKW-UHFFFAOYSA-N 1 2 291.416 1.925 20 30 CDEDLO COc1cccc(/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000493061527 366190569 /nfs/dbraw/zinc/19/05/69/366190569.db2.gz ZKPCILREQGCFHE-FDMDGMSGSA-N 1 2 287.363 1.668 20 30 CDEDLO N#Cc1cccc(C2([NH2+]Cc3nccc(N)n3)CC2)c1 ZINC000271860741 191374344 /nfs/dbraw/zinc/37/43/44/191374344.db2.gz ZFSQPQQHZZEIOL-UHFFFAOYSA-N 1 2 265.320 1.709 20 30 CDEDLO Cc1cccn2cc(CNc3ccnc(C#N)c3)[nH+]c12 ZINC000342556660 355954572 /nfs/dbraw/zinc/95/45/72/355954572.db2.gz MPGCOJKVMSLMLL-UHFFFAOYSA-N 1 2 263.304 1.943 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CC[S@@](=O)C1 ZINC000336313779 356137299 /nfs/dbraw/zinc/13/72/99/356137299.db2.gz IYCDQXAKNYQWMQ-NSPYISDASA-N 1 2 280.368 1.898 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC[S@@](=O)C1 ZINC000336313779 356137304 /nfs/dbraw/zinc/13/73/04/356137304.db2.gz IYCDQXAKNYQWMQ-NSPYISDASA-N 1 2 280.368 1.898 20 30 CDEDLO C=CC[C@H](C(=O)N1CC[NH+](CCO)CC1)c1ccccc1 ZINC000188172021 356348785 /nfs/dbraw/zinc/34/87/85/356348785.db2.gz PJZRGDKWHFCZBE-INIZCTEOSA-N 1 2 288.391 1.483 20 30 CDEDLO C=CCNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000048146825 356385199 /nfs/dbraw/zinc/38/51/99/356385199.db2.gz OITQDVZHMJJDCC-UHFFFAOYSA-N 1 2 275.352 1.826 20 30 CDEDLO N#C[C@]1(NC(=O)C=Cc2c[nH]c[nH+]2)CCc2ccccc2C1 ZINC000493396368 366336630 /nfs/dbraw/zinc/33/66/30/366336630.db2.gz FZGLIVNJUCODKG-OSJSJHBBSA-N 1 2 292.342 1.990 20 30 CDEDLO Cc1cccc(/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000493422901 366355913 /nfs/dbraw/zinc/35/59/13/366355913.db2.gz QNWPPGCFSYQTNH-FDMDGMSGSA-N 1 2 271.364 1.968 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000298857160 356937149 /nfs/dbraw/zinc/93/71/49/356937149.db2.gz FSZBWBKWMJSBDU-NXEZZACHSA-N 1 2 266.291 1.753 20 30 CDEDLO Cc1csc2nc(C[N@@H+](C)C[C@H](C)C#N)cc(=O)n12 ZINC000049001155 357203528 /nfs/dbraw/zinc/20/35/28/357203528.db2.gz OCXIXFWPMRPFDI-SECBINFHSA-N 1 2 276.365 1.656 20 30 CDEDLO Cc1csc2nc(C[N@H+](C)C[C@H](C)C#N)cc(=O)n12 ZINC000049001155 357203530 /nfs/dbraw/zinc/20/35/30/357203530.db2.gz OCXIXFWPMRPFDI-SECBINFHSA-N 1 2 276.365 1.656 20 30 CDEDLO C=C(C)CN(CC)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106582476 357263931 /nfs/dbraw/zinc/26/39/31/357263931.db2.gz IGJNXSVILCZKMH-AWEZNQCLSA-N 1 2 282.432 1.230 20 30 CDEDLO Cc1cc(NC(=O)NCCCc2[nH]nc(N)c2C#N)cc[nH+]1 ZINC000119168290 357323971 /nfs/dbraw/zinc/32/39/71/357323971.db2.gz OWAPHWHJGNHVIL-UHFFFAOYSA-N 1 2 299.338 1.321 20 30 CDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CCN1S(C)(=O)=O ZINC000181585489 357364251 /nfs/dbraw/zinc/36/42/51/357364251.db2.gz IEQKPDBZXGOREQ-LBPRGKRZSA-N 1 2 293.392 1.024 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCN1S(C)(=O)=O ZINC000181585489 357364254 /nfs/dbraw/zinc/36/42/54/357364254.db2.gz IEQKPDBZXGOREQ-LBPRGKRZSA-N 1 2 293.392 1.024 20 30 CDEDLO Cc1cccc2[nH+]c(CNC(=O)NC[C@H](C)C#N)cn21 ZINC000182653994 357444005 /nfs/dbraw/zinc/44/40/05/357444005.db2.gz BTRUENMZKNNTEL-SNVBAGLBSA-N 1 2 271.324 1.602 20 30 CDEDLO C#CCNC(=O)CC[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000294542074 199079582 /nfs/dbraw/zinc/07/95/82/199079582.db2.gz KIVKMDPIAQXMHV-LLVKDONJSA-N 1 2 295.433 1.373 20 30 CDEDLO C#CCNC(=O)CC[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000294542074 199079583 /nfs/dbraw/zinc/07/95/83/199079583.db2.gz KIVKMDPIAQXMHV-LLVKDONJSA-N 1 2 295.433 1.373 20 30 CDEDLO CCn1cc[nH+]c1CNS(=O)(=O)CCCCC#N ZINC000601469936 358275359 /nfs/dbraw/zinc/27/53/59/358275359.db2.gz APHZGIUBWJUKFV-UHFFFAOYSA-N 1 2 270.358 1.016 20 30 CDEDLO COCC[C@@H]1COCC[N@@H+]1Cc1ccccc1C#N ZINC000291160912 358884782 /nfs/dbraw/zinc/88/47/82/358884782.db2.gz CJZIXRXREDSRLA-OAHLLOKOSA-N 1 2 260.337 1.796 20 30 CDEDLO COCC[C@@H]1COCC[N@H+]1Cc1ccccc1C#N ZINC000291160912 358884783 /nfs/dbraw/zinc/88/47/83/358884783.db2.gz CJZIXRXREDSRLA-OAHLLOKOSA-N 1 2 260.337 1.796 20 30 CDEDLO CC(C)[C@@H]([NH2+]CC1(C#N)CC1)c1nc(-c2nc[nH]n2)no1 ZINC000494680632 366508526 /nfs/dbraw/zinc/50/85/26/366508526.db2.gz ISHRRPNKPLEPCY-SECBINFHSA-N 1 2 287.327 1.445 20 30 CDEDLO CNc1ccc(Nc2ncc([N+](=O)[O-])cc2C#N)c[nH+]1 ZINC000339669269 359426395 /nfs/dbraw/zinc/42/63/95/359426395.db2.gz DYORSHRNEURNLT-UHFFFAOYSA-N 1 2 270.252 1.464 20 30 CDEDLO C#CC[C@@H](NC(=O)NCc1[nH+]ccn1C)c1ccccc1 ZINC000270382313 359398440 /nfs/dbraw/zinc/39/84/40/359398440.db2.gz GFONOMXOHUWOKH-CQSZACIVSA-N 1 2 282.347 1.984 20 30 CDEDLO C=C(Cl)C[NH2+]Cc1cn(C)nc1C(=O)OCC ZINC000274465594 359505314 /nfs/dbraw/zinc/50/53/14/359505314.db2.gz IKCVAIYJZFTIDO-UHFFFAOYSA-N 1 2 257.721 1.439 20 30 CDEDLO C#CC[N@H+](Cc1cn(Cc2cccnc2)nn1)C1CC1 ZINC000274054186 359489053 /nfs/dbraw/zinc/48/90/53/359489053.db2.gz CLQIIJGRTASYTH-UHFFFAOYSA-N 1 2 267.336 1.319 20 30 CDEDLO C#CC[N@@H+](Cc1cn(Cc2cccnc2)nn1)C1CC1 ZINC000274054186 359489057 /nfs/dbraw/zinc/48/90/57/359489057.db2.gz CLQIIJGRTASYTH-UHFFFAOYSA-N 1 2 267.336 1.319 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277075381 359554286 /nfs/dbraw/zinc/55/42/86/359554286.db2.gz DYMXWEGDHLJBRL-PJSUUKDQSA-N 1 2 298.452 1.418 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277075381 359554292 /nfs/dbraw/zinc/55/42/92/359554292.db2.gz DYMXWEGDHLJBRL-PJSUUKDQSA-N 1 2 298.452 1.418 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1nncn1C ZINC000275127340 359529689 /nfs/dbraw/zinc/52/96/89/359529689.db2.gz BFNKOJOSOLROPC-RYUDHWBXSA-N 1 2 277.372 1.055 20 30 CDEDLO COc1cc(C[N@@H+]2CCN(C)C(=O)C2(C)C)ccc1C#N ZINC000234981607 359666702 /nfs/dbraw/zinc/66/67/02/359666702.db2.gz KXJXEIBULYLLRT-UHFFFAOYSA-N 1 2 287.363 1.619 20 30 CDEDLO COc1cc(C[N@H+]2CCN(C)C(=O)C2(C)C)ccc1C#N ZINC000234981607 359666708 /nfs/dbraw/zinc/66/67/08/359666708.db2.gz KXJXEIBULYLLRT-UHFFFAOYSA-N 1 2 287.363 1.619 20 30 CDEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000408402449 359733505 /nfs/dbraw/zinc/73/35/05/359733505.db2.gz IHCGJIRKVKNLQI-VHSXEESVSA-N 1 2 299.421 1.333 20 30 CDEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000408402449 359733508 /nfs/dbraw/zinc/73/35/08/359733508.db2.gz IHCGJIRKVKNLQI-VHSXEESVSA-N 1 2 299.421 1.333 20 30 CDEDLO C[C@@H](C#N)OCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000496118760 366656246 /nfs/dbraw/zinc/65/62/46/366656246.db2.gz BLOHXCRSILBELX-STQMWFEESA-N 1 2 297.399 1.856 20 30 CDEDLO C[C@@H](C#N)OCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000496118760 366656247 /nfs/dbraw/zinc/65/62/47/366656247.db2.gz BLOHXCRSILBELX-STQMWFEESA-N 1 2 297.399 1.856 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2nc3ccccc3[nH]2)C1=O ZINC000337225529 360036103 /nfs/dbraw/zinc/03/61/03/360036103.db2.gz OJDPRCHECGWFNT-CQSZACIVSA-N 1 2 284.363 1.782 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2nc3ccccc3[nH]2)C1=O ZINC000337225529 360036105 /nfs/dbraw/zinc/03/61/05/360036105.db2.gz OJDPRCHECGWFNT-CQSZACIVSA-N 1 2 284.363 1.782 20 30 CDEDLO C=CCn1cccc1C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000337590980 360275900 /nfs/dbraw/zinc/27/59/00/360275900.db2.gz MWTXIUIVBWAZPX-HNNXBMFYSA-N 1 2 296.374 1.856 20 30 CDEDLO C=C(C)CNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000156761143 360655305 /nfs/dbraw/zinc/65/53/05/360655305.db2.gz MWIPOIQVPJGPJI-UHFFFAOYSA-N 1 2 294.424 1.937 20 30 CDEDLO C=C(C)CNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000156761143 360655310 /nfs/dbraw/zinc/65/53/10/360655310.db2.gz MWIPOIQVPJGPJI-UHFFFAOYSA-N 1 2 294.424 1.937 20 30 CDEDLO C[C@H](CCC#N)[N@H+](C)Cc1ncnn1CC(F)F ZINC000563218374 360839910 /nfs/dbraw/zinc/83/99/10/360839910.db2.gz UPUADCVBMYURJO-SECBINFHSA-N 1 2 257.288 1.667 20 30 CDEDLO C[C@H](CCC#N)[N@@H+](C)Cc1ncnn1CC(F)F ZINC000563218374 360839916 /nfs/dbraw/zinc/83/99/16/360839916.db2.gz UPUADCVBMYURJO-SECBINFHSA-N 1 2 257.288 1.667 20 30 CDEDLO C=CCc1cc(C[N@@H+](C)CC(=O)OC)cc(OC)c1O ZINC000179394231 189190836 /nfs/dbraw/zinc/19/08/36/189190836.db2.gz SMXSMTSUAVBVGI-UHFFFAOYSA-N 1 2 279.336 1.734 20 30 CDEDLO C=CCc1cc(C[N@H+](C)CC(=O)OC)cc(OC)c1O ZINC000179394231 189190837 /nfs/dbraw/zinc/19/08/37/189190837.db2.gz SMXSMTSUAVBVGI-UHFFFAOYSA-N 1 2 279.336 1.734 20 30 CDEDLO C[N@H+](CC(=O)NC(C1CC1)C1CC1)CC(C)(C)C#N ZINC000433303861 361230203 /nfs/dbraw/zinc/23/02/03/361230203.db2.gz JMUAHLJKWHHDQI-UHFFFAOYSA-N 1 2 263.385 1.773 20 30 CDEDLO C[N@@H+](CC(=O)NC(C1CC1)C1CC1)CC(C)(C)C#N ZINC000433303861 361230208 /nfs/dbraw/zinc/23/02/08/361230208.db2.gz JMUAHLJKWHHDQI-UHFFFAOYSA-N 1 2 263.385 1.773 20 30 CDEDLO CCc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000562322890 361280024 /nfs/dbraw/zinc/28/00/24/361280024.db2.gz WCOWESTUFASYHP-HNNXBMFYSA-N 1 2 259.353 1.823 20 30 CDEDLO C=CCN(C(=O)NCC1([NH+]2CCOCC2)CC1)C1CC1 ZINC000434460645 361327038 /nfs/dbraw/zinc/32/70/38/361327038.db2.gz QDHIDRKQKFCYFC-UHFFFAOYSA-N 1 2 279.384 1.211 20 30 CDEDLO C[C@H](NC(=O)NC[C@@H]1CCCn2cc[nH+]c21)[C@@H]1CCOC1 ZINC000329325769 361479499 /nfs/dbraw/zinc/47/94/99/361479499.db2.gz IXDGIXOZZCQQKW-RWMBFGLXSA-N 1 2 292.383 1.689 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)C1(C)COC1)[NH+]1CCOCC1 ZINC000329344778 361484460 /nfs/dbraw/zinc/48/44/60/361484460.db2.gz UJRKBGOZYKVQIP-WDEREUQCSA-N 1 2 256.346 1.089 20 30 CDEDLO C=CC(C)(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000448584291 361647204 /nfs/dbraw/zinc/64/72/04/361647204.db2.gz CRUOJGKAXWNNKO-UHFFFAOYSA-N 1 2 254.374 1.426 20 30 CDEDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000572731881 361710424 /nfs/dbraw/zinc/71/04/24/361710424.db2.gz FLFMCJZDQASBNR-NSHDSACASA-N 1 2 274.368 1.688 20 30 CDEDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000572731881 361710430 /nfs/dbraw/zinc/71/04/30/361710430.db2.gz FLFMCJZDQASBNR-NSHDSACASA-N 1 2 274.368 1.688 20 30 CDEDLO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc(C#N)cs2)[C@@H](C)C1 ZINC000170619095 364408195 /nfs/dbraw/zinc/40/81/95/364408195.db2.gz OHLDGPMIJVHSJF-WDEREUQCSA-N 1 2 293.392 1.147 20 30 CDEDLO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc(C#N)cs2)[C@@H](C)C1 ZINC000170619095 364408201 /nfs/dbraw/zinc/40/82/01/364408201.db2.gz OHLDGPMIJVHSJF-WDEREUQCSA-N 1 2 293.392 1.147 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@@H](C(N)=O)C1 ZINC000249557512 364874743 /nfs/dbraw/zinc/87/47/43/364874743.db2.gz KIODBBGCAGMSMJ-QMTHXVAHSA-N 1 2 275.327 1.783 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H](C(N)=O)C1 ZINC000249557512 364874747 /nfs/dbraw/zinc/87/47/47/364874747.db2.gz KIODBBGCAGMSMJ-QMTHXVAHSA-N 1 2 275.327 1.783 20 30 CDEDLO C#CC[N@@H+](C)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000491256025 364910080 /nfs/dbraw/zinc/91/00/80/364910080.db2.gz YXZPOTGFYMOXDO-UHFFFAOYSA-N 1 2 251.351 1.545 20 30 CDEDLO C#CC[N@H+](C)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000491256025 364910084 /nfs/dbraw/zinc/91/00/84/364910084.db2.gz YXZPOTGFYMOXDO-UHFFFAOYSA-N 1 2 251.351 1.545 20 30 CDEDLO N#Cc1ccc(N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000149318852 364945517 /nfs/dbraw/zinc/94/55/17/364945517.db2.gz UGVVACCGHKDXFG-UHFFFAOYSA-N 1 2 265.320 1.675 20 30 CDEDLO N#CCNC(=O)C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000115560720 365001983 /nfs/dbraw/zinc/00/19/83/365001983.db2.gz QOUJPJKAWAAUDH-ZDUSSCGKSA-N 1 2 275.377 1.416 20 30 CDEDLO N#CCNC(=O)C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000115560720 365001984 /nfs/dbraw/zinc/00/19/84/365001984.db2.gz QOUJPJKAWAAUDH-ZDUSSCGKSA-N 1 2 275.377 1.416 20 30 CDEDLO C=C(C)COCCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000353957062 365392654 /nfs/dbraw/zinc/39/26/54/365392654.db2.gz YXLHIDYZTNFIDX-GFCCVEGCSA-N 1 2 266.345 1.164 20 30 CDEDLO COC(=O)[C@@H]1CN(C)CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000414493879 241231690 /nfs/dbraw/zinc/23/16/90/241231690.db2.gz UIEPCLRMEORLOM-GFCCVEGCSA-N 1 2 293.392 1.156 20 30 CDEDLO COC(=O)[C@@H]1CN(C)CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000414493879 241231696 /nfs/dbraw/zinc/23/16/96/241231696.db2.gz UIEPCLRMEORLOM-GFCCVEGCSA-N 1 2 293.392 1.156 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000375711339 370926411 /nfs/dbraw/zinc/92/64/11/370926411.db2.gz MHXVGDQDCBXZTP-LBPRGKRZSA-N 1 2 299.396 1.061 20 30 CDEDLO CC#CCNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000154426286 370918686 /nfs/dbraw/zinc/91/86/86/370918686.db2.gz VKKNPKLCLZBXSZ-UHFFFAOYSA-N 1 2 253.305 1.934 20 30 CDEDLO C#CC[NH+]1CCN(Cn2c3cc(C)ccc3oc2=O)CC1 ZINC000071971544 368963833 /nfs/dbraw/zinc/96/38/33/368963833.db2.gz FNOYDRJELAQXAF-UHFFFAOYSA-N 1 2 285.347 1.111 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCCC[C@@H]1C(=O)OC ZINC000367963824 369303799 /nfs/dbraw/zinc/30/37/99/369303799.db2.gz NCMFZSDSJDGWBB-CYBMUJFWSA-N 1 2 295.383 1.166 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCCC[C@@H]1C(=O)OC ZINC000367963824 369303801 /nfs/dbraw/zinc/30/38/01/369303801.db2.gz NCMFZSDSJDGWBB-CYBMUJFWSA-N 1 2 295.383 1.166 20 30 CDEDLO CCOC(=O)[C@H](NC(=O)c1c[nH+]c(C)[nH]1)C1CCOCC1 ZINC000330494849 376195979 /nfs/dbraw/zinc/19/59/79/376195979.db2.gz TVEKHYKSWNGHJE-GFCCVEGCSA-N 1 2 295.339 1.381 20 30 CDEDLO C=CCNC(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000080906814 369926770 /nfs/dbraw/zinc/92/67/70/369926770.db2.gz VWZDKRLUPWKEKY-INIZCTEOSA-N 1 2 298.390 1.171 20 30 CDEDLO CN(C)C(=O)C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000371782115 370407823 /nfs/dbraw/zinc/40/78/23/370407823.db2.gz SITJFKCJMCSIFZ-HUUCEWRRSA-N 1 2 271.364 1.846 20 30 CDEDLO CN(C)C(=O)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000371782115 370407832 /nfs/dbraw/zinc/40/78/32/370407832.db2.gz SITJFKCJMCSIFZ-HUUCEWRRSA-N 1 2 271.364 1.846 20 30 CDEDLO CN1CCc2ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc21 ZINC000573328527 371504189 /nfs/dbraw/zinc/50/41/89/371504189.db2.gz PLYNLPXUALABFX-INIZCTEOSA-N 1 2 286.379 1.253 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)NCC[NH+]1CCOCC1 ZINC000183502394 372641402 /nfs/dbraw/zinc/64/14/02/372641402.db2.gz VIGKDACABNJJJJ-ZDUSSCGKSA-N 1 2 269.389 1.363 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H](CO)O1 ZINC000248847963 373061310 /nfs/dbraw/zinc/06/13/10/373061310.db2.gz NNTJUWHGHXBKGQ-MFKMUULPSA-N 1 2 264.300 1.279 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H](CO)O1 ZINC000248847963 373061313 /nfs/dbraw/zinc/06/13/13/373061313.db2.gz NNTJUWHGHXBKGQ-MFKMUULPSA-N 1 2 264.300 1.279 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1ccnn1C ZINC000348369620 373123079 /nfs/dbraw/zinc/12/30/79/373123079.db2.gz VCXRFWOFENSUAC-GFCCVEGCSA-N 1 2 297.362 1.751 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1ccnn1C ZINC000348369620 373123087 /nfs/dbraw/zinc/12/30/87/373123087.db2.gz VCXRFWOFENSUAC-GFCCVEGCSA-N 1 2 297.362 1.751 20 30 CDEDLO C#CCNC(=O)[C@@H](C)Sc1[nH+]cc2ccccn21 ZINC000024311089 373211005 /nfs/dbraw/zinc/21/10/05/373211005.db2.gz XBOZTBLZOIXWDG-SNVBAGLBSA-N 1 2 259.334 1.564 20 30 CDEDLO CC[N@@H+](CC(=O)N1C[C@H](C)C[C@H](C)C1)C[C@H](C)C#N ZINC000066424392 284391292 /nfs/dbraw/zinc/39/12/92/284391292.db2.gz DFYIIWPJGRPTRP-HZSPNIEDSA-N 1 2 265.401 1.972 20 30 CDEDLO CC[N@H+](CC(=O)N1C[C@H](C)C[C@H](C)C1)C[C@H](C)C#N ZINC000066424392 284391293 /nfs/dbraw/zinc/39/12/93/284391293.db2.gz DFYIIWPJGRPTRP-HZSPNIEDSA-N 1 2 265.401 1.972 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCOC2(CCC2)C1 ZINC000154147200 373676768 /nfs/dbraw/zinc/67/67/68/373676768.db2.gz KNMXVLHMYZCTAW-DZGCQCFKSA-N 1 2 293.411 1.684 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCOC2(CCC2)C1 ZINC000154147200 373676776 /nfs/dbraw/zinc/67/67/76/373676776.db2.gz KNMXVLHMYZCTAW-DZGCQCFKSA-N 1 2 293.411 1.684 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1cccc(C)c1 ZINC000584418460 373731782 /nfs/dbraw/zinc/73/17/82/373731782.db2.gz BMMFUFRVPFXDPL-CQSZACIVSA-N 1 2 259.353 1.893 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1c[nH]nc1C ZINC000639966841 373879533 /nfs/dbraw/zinc/87/95/33/373879533.db2.gz GUKGYBTVXUCNNO-CYBMUJFWSA-N 1 2 278.400 1.963 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1c[nH]nc1C ZINC000639966841 373879536 /nfs/dbraw/zinc/87/95/36/373879536.db2.gz GUKGYBTVXUCNNO-CYBMUJFWSA-N 1 2 278.400 1.963 20 30 CDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](O)C1 ZINC000298662465 373860469 /nfs/dbraw/zinc/86/04/69/373860469.db2.gz KSINSJBQXDOYNJ-LBPRGKRZSA-N 1 2 293.754 1.607 20 30 CDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](O)C1 ZINC000298662465 373860482 /nfs/dbraw/zinc/86/04/82/373860482.db2.gz KSINSJBQXDOYNJ-LBPRGKRZSA-N 1 2 293.754 1.607 20 30 CDEDLO C[N@H+](CC(=O)NCC#N)Cc1ccc(Cl)s1 ZINC000342207706 374014750 /nfs/dbraw/zinc/01/47/50/374014750.db2.gz KTSSAVPVZPOVDC-UHFFFAOYSA-N 1 2 257.746 1.473 20 30 CDEDLO C[N@@H+](CC(=O)NCC#N)Cc1ccc(Cl)s1 ZINC000342207706 374014762 /nfs/dbraw/zinc/01/47/62/374014762.db2.gz KTSSAVPVZPOVDC-UHFFFAOYSA-N 1 2 257.746 1.473 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc(F)cc1C#N ZINC000361007647 374032122 /nfs/dbraw/zinc/03/21/22/374032122.db2.gz AUDBLCWPKAOMHC-LLVKDONJSA-N 1 2 263.316 1.830 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNc1ccc(F)cc1C#N ZINC000361007647 374032126 /nfs/dbraw/zinc/03/21/26/374032126.db2.gz AUDBLCWPKAOMHC-LLVKDONJSA-N 1 2 263.316 1.830 20 30 CDEDLO CCS(=O)(=O)CC[N@H+](C)Cc1cccc(C#N)c1 ZINC000061947904 374122532 /nfs/dbraw/zinc/12/25/32/374122532.db2.gz BTPXCVHBZBKVHZ-UHFFFAOYSA-N 1 2 266.366 1.425 20 30 CDEDLO CCS(=O)(=O)CC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000061947904 374122537 /nfs/dbraw/zinc/12/25/37/374122537.db2.gz BTPXCVHBZBKVHZ-UHFFFAOYSA-N 1 2 266.366 1.425 20 30 CDEDLO N#Cc1ccc(F)c(CN2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000062980019 374178742 /nfs/dbraw/zinc/17/87/42/374178742.db2.gz XKBWBWQLNLURPB-OAHLLOKOSA-N 1 2 289.354 1.604 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1O ZINC000351812240 374279322 /nfs/dbraw/zinc/27/93/22/374279322.db2.gz PMKMAVPQKWIJOI-NOZJJQNGSA-N 1 2 293.754 1.463 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1O ZINC000351812240 374279332 /nfs/dbraw/zinc/27/93/32/374279332.db2.gz PMKMAVPQKWIJOI-NOZJJQNGSA-N 1 2 293.754 1.463 20 30 CDEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cc[nH]n3)C2)nc1 ZINC000292820453 374310249 /nfs/dbraw/zinc/31/02/49/374310249.db2.gz PUWSBPYJDPDTJG-ZDUSSCGKSA-N 1 2 269.308 1.330 20 30 CDEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc[nH]n3)C2)nc1 ZINC000292820453 374310255 /nfs/dbraw/zinc/31/02/55/374310255.db2.gz PUWSBPYJDPDTJG-ZDUSSCGKSA-N 1 2 269.308 1.330 20 30 CDEDLO Cc1nc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)ccc1C#N ZINC000371043492 374407648 /nfs/dbraw/zinc/40/76/48/374407648.db2.gz LSMLQEYALJCOTG-ZDUSSCGKSA-N 1 2 295.346 1.625 20 30 CDEDLO CNC(=O)N[C@H]1CC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000334151986 206100022 /nfs/dbraw/zinc/10/00/22/206100022.db2.gz UGYINWBRTMVBPR-ZDUSSCGKSA-N 1 2 297.362 1.314 20 30 CDEDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000334151986 206100025 /nfs/dbraw/zinc/10/00/25/206100025.db2.gz UGYINWBRTMVBPR-ZDUSSCGKSA-N 1 2 297.362 1.314 20 30 CDEDLO Cn1nc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c2ccccc21 ZINC000574523118 335026628 /nfs/dbraw/zinc/02/66/28/335026628.db2.gz KLIQQECYTRKUEF-INIZCTEOSA-N 1 2 299.378 1.076 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CSCc1cscn1 ZINC000574522848 335026695 /nfs/dbraw/zinc/02/66/95/335026695.db2.gz FSGAXWCUKSIHHB-LBPRGKRZSA-N 1 2 298.437 1.336 20 30 CDEDLO N#Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)[nH]1 ZINC000278127517 374831533 /nfs/dbraw/zinc/83/15/33/374831533.db2.gz QXWYBRWPMONBRU-WCQYABFASA-N 1 2 299.334 1.862 20 30 CDEDLO N#Cc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)[nH]1 ZINC000278127517 374831541 /nfs/dbraw/zinc/83/15/41/374831541.db2.gz QXWYBRWPMONBRU-WCQYABFASA-N 1 2 299.334 1.862 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000277355857 374784512 /nfs/dbraw/zinc/78/45/12/374784512.db2.gz WXKVAHWQMIWQSV-ODXCJYRJSA-N 1 2 292.404 1.910 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000277355857 374784513 /nfs/dbraw/zinc/78/45/13/374784513.db2.gz WXKVAHWQMIWQSV-ODXCJYRJSA-N 1 2 292.404 1.910 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c1 ZINC000493567883 375464879 /nfs/dbraw/zinc/46/48/79/375464879.db2.gz UUTIAFWCJBWGMG-CYBMUJFWSA-N 1 2 257.293 1.195 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)c1 ZINC000493567883 375464883 /nfs/dbraw/zinc/46/48/83/375464883.db2.gz UUTIAFWCJBWGMG-CYBMUJFWSA-N 1 2 257.293 1.195 20 30 CDEDLO CCN(CC#N)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000049426514 375443069 /nfs/dbraw/zinc/44/30/69/375443069.db2.gz CRBWDAMWPGAJFI-UHFFFAOYSA-N 1 2 254.293 1.858 20 30 CDEDLO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328612072 375894541 /nfs/dbraw/zinc/89/45/41/375894541.db2.gz OZOJEKQQZXVSDD-CKYFFXLPSA-N 1 2 276.340 1.767 20 30 CDEDLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000328700730 375932937 /nfs/dbraw/zinc/93/29/37/375932937.db2.gz MYGCWKCRFJAEBT-JSGCOSHPSA-N 1 2 293.367 1.407 20 30 CDEDLO C[C@@H](CNC(=O)CCc1c[nH+]cn1C)N1CCCCC1=O ZINC000328868162 375996079 /nfs/dbraw/zinc/99/60/79/375996079.db2.gz XIAAAPNNMGPJGI-LBPRGKRZSA-N 1 2 292.383 1.710 20 30 CDEDLO C=CCOC[C@@H]1NC(=O)N(Cc2c[nH+]c(C)cc2C)C1=O ZINC000420057872 376228069 /nfs/dbraw/zinc/22/80/69/376228069.db2.gz HYCGMKVKTPFEAM-ZDUSSCGKSA-N 1 2 289.335 1.321 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000330592645 376287423 /nfs/dbraw/zinc/28/74/23/376287423.db2.gz ZXBGWWKDVROIFL-KBPBESRZSA-N 1 2 279.384 1.727 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000330592645 376287429 /nfs/dbraw/zinc/28/74/29/376287429.db2.gz ZXBGWWKDVROIFL-KBPBESRZSA-N 1 2 279.384 1.727 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@@H+]1CCOc1ccccc1C#N ZINC000172059544 377238804 /nfs/dbraw/zinc/23/88/04/377238804.db2.gz ABHKBNUNCCITCH-ZDUSSCGKSA-N 1 2 274.320 1.574 20 30 CDEDLO COC(=O)[C@@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC000172059544 377238811 /nfs/dbraw/zinc/23/88/11/377238811.db2.gz ABHKBNUNCCITCH-ZDUSSCGKSA-N 1 2 274.320 1.574 20 30 CDEDLO C[C@H]1C[NH+]=C(N2CCN(c3cnccc3C#N)CC2)S1 ZINC000269967113 377827227 /nfs/dbraw/zinc/82/72/27/377827227.db2.gz NORDGDDBCVMMGT-NSHDSACASA-N 1 2 287.392 1.567 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000081011485 377857158 /nfs/dbraw/zinc/85/71/58/377857158.db2.gz SXGOMLUNFBOHKZ-UHFFFAOYSA-N 1 2 260.337 1.726 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000282770834 378070834 /nfs/dbraw/zinc/07/08/34/378070834.db2.gz LSZPXIPJVDTEOC-CESFYWBNSA-N 1 2 261.325 1.520 20 30 CDEDLO C[C@@H]1CC(C(=O)N[C@@](C)(C#N)C[NH+](C)C)C[C@@H](C)O1 ZINC000574693861 335040395 /nfs/dbraw/zinc/04/03/95/335040395.db2.gz DUBPJXWTLMETDE-GYSYKLTISA-N 1 2 267.373 1.150 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCc1ccccc1COC ZINC000192225704 378176166 /nfs/dbraw/zinc/17/61/66/378176166.db2.gz CRMKRGSKGVIIQG-UHFFFAOYSA-N 1 2 260.337 1.014 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCc1ccccc1COC ZINC000192225704 378176169 /nfs/dbraw/zinc/17/61/69/378176169.db2.gz CRMKRGSKGVIIQG-UHFFFAOYSA-N 1 2 260.337 1.014 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCc1ccc(Cl)cc1 ZINC000192236031 378177407 /nfs/dbraw/zinc/17/74/07/378177407.db2.gz UDQNHIHFCSAMJS-UHFFFAOYSA-N 1 2 250.729 1.521 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCc1ccc(Cl)cc1 ZINC000192236031 378177414 /nfs/dbraw/zinc/17/74/14/378177414.db2.gz UDQNHIHFCSAMJS-UHFFFAOYSA-N 1 2 250.729 1.521 20 30 CDEDLO C=CCCCS(=O)(=O)N1CCOc2cc[nH+]cc21 ZINC000293250382 378549735 /nfs/dbraw/zinc/54/97/35/378549735.db2.gz GRBXKUWGHQIBPZ-UHFFFAOYSA-N 1 2 268.338 1.576 20 30 CDEDLO C=C(C)CS(=O)(=O)NCc1c[nH+]ccc1OC ZINC000292982771 378532597 /nfs/dbraw/zinc/53/25/97/378532597.db2.gz MFLUXTDJKQVOMJ-UHFFFAOYSA-N 1 2 256.327 1.086 20 30 CDEDLO C=C(C)CS(=O)(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000295957076 378702800 /nfs/dbraw/zinc/70/28/00/378702800.db2.gz JQPKLKXAFWEEMY-JTQLQIEISA-N 1 2 257.359 1.602 20 30 CDEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CO)C2)c(C#N)c1C ZINC000266961852 378935868 /nfs/dbraw/zinc/93/58/68/378935868.db2.gz WTSQLKWWBZBNEU-PWSUYJOCSA-N 1 2 291.351 1.409 20 30 CDEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CO)C2)c(C#N)c1C ZINC000266961852 378935871 /nfs/dbraw/zinc/93/58/71/378935871.db2.gz WTSQLKWWBZBNEU-PWSUYJOCSA-N 1 2 291.351 1.409 20 30 CDEDLO C=C(C)C[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343764681 378963572 /nfs/dbraw/zinc/96/35/72/378963572.db2.gz MYKGOMOQMNURQP-UHFFFAOYSA-N 1 2 279.365 1.235 20 30 CDEDLO C=C(C)C[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343764681 378963575 /nfs/dbraw/zinc/96/35/75/378963575.db2.gz MYKGOMOQMNURQP-UHFFFAOYSA-N 1 2 279.365 1.235 20 30 CDEDLO CC(C)(C(=O)NCC#Cc1ccccc1)[NH+]1CCOCC1 ZINC000278572841 194050720 /nfs/dbraw/zinc/05/07/20/194050720.db2.gz IWTRCZSZZKSANH-UHFFFAOYSA-N 1 2 286.375 1.265 20 30 CDEDLO C=CCNC(=O)[C@H](C)Sc1nc(N)cc(CC)[nH+]1 ZINC000279024163 194254412 /nfs/dbraw/zinc/25/44/12/194254412.db2.gz CMAAUTUNXHJRBF-QMMMGPOBSA-N 1 2 266.370 1.404 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000450114517 251138399 /nfs/dbraw/zinc/13/83/99/251138399.db2.gz OABCWTLYPRVUJX-AWEZNQCLSA-N 1 2 296.330 1.883 20 30 CDEDLO C#CCCCC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000192152971 533007176 /nfs/dbraw/zinc/00/71/76/533007176.db2.gz DWEOMXNSZUBDCL-UHFFFAOYSA-N 1 2 286.375 1.840 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N1CCCCC1 ZINC000042449543 285054634 /nfs/dbraw/zinc/05/46/34/285054634.db2.gz PWAAKVIXZKBJGS-OLZOCXBDSA-N 1 2 251.374 1.869 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N1CCCCC1 ZINC000042449543 285054635 /nfs/dbraw/zinc/05/46/35/285054635.db2.gz PWAAKVIXZKBJGS-OLZOCXBDSA-N 1 2 251.374 1.869 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)/C=C\c1cccc(C#N)c1 ZINC000491521979 253087404 /nfs/dbraw/zinc/08/74/04/253087404.db2.gz ZKOFFRGZAZVBFQ-GXMNPTEKSA-N 1 2 299.374 1.408 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)/C=C\c1cccc(C#N)c1 ZINC000491521979 253087406 /nfs/dbraw/zinc/08/74/06/253087406.db2.gz ZKOFFRGZAZVBFQ-GXMNPTEKSA-N 1 2 299.374 1.408 20 30 CDEDLO C=CCNc1ncc(C(=O)N2CC[N@@H+](CC)C[C@H]2C)s1 ZINC000289343737 197304514 /nfs/dbraw/zinc/30/45/14/197304514.db2.gz KQPYTFBWPFTSKG-LLVKDONJSA-N 1 2 294.424 1.907 20 30 CDEDLO C=CCNc1ncc(C(=O)N2CC[N@H+](CC)C[C@H]2C)s1 ZINC000289343737 197304516 /nfs/dbraw/zinc/30/45/16/197304516.db2.gz KQPYTFBWPFTSKG-LLVKDONJSA-N 1 2 294.424 1.907 20 30 CDEDLO CC(F)(F)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000288592813 197122670 /nfs/dbraw/zinc/12/26/70/197122670.db2.gz OUSGAXMLQZOESH-UHFFFAOYSA-N 1 2 293.317 1.858 20 30 CDEDLO COCC#CC[NH2+][C@H](c1nc(C2CC2)no1)C(C)C ZINC000678897932 483214937 /nfs/dbraw/zinc/21/49/37/483214937.db2.gz XYKIBAHHIPVDEW-LBPRGKRZSA-N 1 2 263.341 1.884 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cn(C(C)C)nc2C)C1=O ZINC000281299519 195186372 /nfs/dbraw/zinc/18/63/72/195186372.db2.gz PREZJHZBMRCXAE-OAHLLOKOSA-N 1 2 290.411 1.991 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cn(C(C)C)nc2C)C1=O ZINC000281299519 195186374 /nfs/dbraw/zinc/18/63/74/195186374.db2.gz PREZJHZBMRCXAE-OAHLLOKOSA-N 1 2 290.411 1.991 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCCC(C)(C)C)C1=O ZINC000281462565 195249431 /nfs/dbraw/zinc/24/94/31/195249431.db2.gz VKOQOCJAVOQDGA-ZDUSSCGKSA-N 1 2 295.427 1.258 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCCC(C)(C)C)C1=O ZINC000281462565 195249432 /nfs/dbraw/zinc/24/94/32/195249432.db2.gz VKOQOCJAVOQDGA-ZDUSSCGKSA-N 1 2 295.427 1.258 20 30 CDEDLO CC(=O)N1CCC(C/[NH+]=C/c2ccc(O)c(O)c2O)CC1 ZINC000105356769 390507827 /nfs/dbraw/zinc/50/78/27/390507827.db2.gz HXDDTXHKXFISLW-CXUHLZMHSA-N 1 2 292.335 1.481 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCc2cc(C)on2)cc1OC ZINC000102704043 390467358 /nfs/dbraw/zinc/46/73/58/390467358.db2.gz VVDHZBWJSIQLDN-UHFFFAOYSA-N 1 2 291.307 1.837 20 30 CDEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1F ZINC000335491214 390655051 /nfs/dbraw/zinc/65/50/51/390655051.db2.gz MAZYLBRKRXGSOZ-CYBMUJFWSA-N 1 2 298.321 1.773 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000187437143 390835086 /nfs/dbraw/zinc/83/50/86/390835086.db2.gz SCHOLEISJGIXEY-FZMZJTMJSA-N 1 2 287.363 1.653 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000187437143 390835089 /nfs/dbraw/zinc/83/50/89/390835089.db2.gz SCHOLEISJGIXEY-FZMZJTMJSA-N 1 2 287.363 1.653 20 30 CDEDLO COc1ccc(Cl)cc1CO[NH+]=C(N)CCO ZINC000136073312 390941048 /nfs/dbraw/zinc/94/10/48/390941048.db2.gz BWJXUFOTEIIQTD-UHFFFAOYSA-N 1 2 258.705 1.520 20 30 CDEDLO C[C@@H](O[NH+]=C(N)CCO)C(=O)Nc1ccc(Cl)cc1 ZINC000121417640 390885776 /nfs/dbraw/zinc/88/57/76/390885776.db2.gz QKJSLRGXONXJIJ-MRVPVSSYSA-N 1 2 285.731 1.338 20 30 CDEDLO Cc1cccc(NC(=O)[C@@H](C)O[NH+]=C(N)CCO)c1C ZINC000121421401 390885798 /nfs/dbraw/zinc/88/57/98/390885798.db2.gz LUSDIQFSKYTUST-LLVKDONJSA-N 1 2 279.340 1.302 20 30 CDEDLO Cc1cc(N[C@H]2CC(=O)N(C(C)C)C2)c(C#N)c[nH+]1 ZINC000425233297 390897390 /nfs/dbraw/zinc/89/73/90/390897390.db2.gz WVIRDQCQSCSPBS-LBPRGKRZSA-N 1 2 258.325 1.105 20 30 CDEDLO Cc1ccc2[nH+]cc(CN3CCO[C@@H](C#N)C3)n2c1 ZINC000093136876 390900491 /nfs/dbraw/zinc/90/04/91/390900491.db2.gz LTWSVHOHYMUZRN-ZDUSSCGKSA-N 1 2 256.309 1.367 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000448984798 390956343 /nfs/dbraw/zinc/95/63/43/390956343.db2.gz UFKUQUHBKYQJJJ-UHFFFAOYSA-N 1 2 262.357 1.266 20 30 CDEDLO C#CCOCCC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156602715 390923020 /nfs/dbraw/zinc/92/30/20/390923020.db2.gz USDNGXIWMHQGPJ-CQSZACIVSA-N 1 2 274.320 1.101 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000648256627 391015794 /nfs/dbraw/zinc/01/57/94/391015794.db2.gz JXUVKEBOKMJZTL-KGLIPLIRSA-N 1 2 274.320 1.262 20 30 CDEDLO CN(C[C@@H]1CCCOC1)C(=O)NCc1c[nH+]cn1C ZINC000329636783 391055523 /nfs/dbraw/zinc/05/55/23/391055523.db2.gz YJDBXQXACINRFJ-NSHDSACASA-N 1 2 266.345 1.193 20 30 CDEDLO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CC(=O)NCC#N ZINC000351202693 391057002 /nfs/dbraw/zinc/05/70/02/391057002.db2.gz MXACPPAGXXBDGQ-HZMBPMFUSA-N 1 2 295.770 1.645 20 30 CDEDLO O=C(NC[C@@H](CO)C1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000329649806 391063746 /nfs/dbraw/zinc/06/37/46/391063746.db2.gz JSZJEDWMPAAQCR-RYUDHWBXSA-N 1 2 263.341 1.421 20 30 CDEDLO COc1cc(C)ccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414162497 391115232 /nfs/dbraw/zinc/11/52/32/391115232.db2.gz LWHPXFHDJRNSDL-CYBMUJFWSA-N 1 2 278.352 1.589 20 30 CDEDLO COc1cc(C)ccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414162497 391115236 /nfs/dbraw/zinc/11/52/36/391115236.db2.gz LWHPXFHDJRNSDL-CYBMUJFWSA-N 1 2 278.352 1.589 20 30 CDEDLO C#C[C@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)C(C)C ZINC000374278447 391156930 /nfs/dbraw/zinc/15/69/30/391156930.db2.gz FVUNWOLAQKTFGV-AWEZNQCLSA-N 1 2 288.395 1.719 20 30 CDEDLO Cc1noc(CO[NH+]=C(N)c2ccc(F)c(C)c2)n1 ZINC000266322362 391174299 /nfs/dbraw/zinc/17/42/99/391174299.db2.gz RMTJKDAUODZDMY-UHFFFAOYSA-N 1 2 264.260 1.663 20 30 CDEDLO C=CCOCC[N@@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000339039681 391245408 /nfs/dbraw/zinc/24/54/08/391245408.db2.gz PZCSMURMSMJMMB-LBPRGKRZSA-N 1 2 266.366 1.424 20 30 CDEDLO C=CCOCC[N@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000339039681 391245409 /nfs/dbraw/zinc/24/54/09/391245409.db2.gz PZCSMURMSMJMMB-LBPRGKRZSA-N 1 2 266.366 1.424 20 30 CDEDLO CC(C)(C)[C@H](C#N)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000268000627 391207829 /nfs/dbraw/zinc/20/78/29/391207829.db2.gz MUIBNZQCBUQXSD-LBPRGKRZSA-N 1 2 283.335 1.935 20 30 CDEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000268020406 391209140 /nfs/dbraw/zinc/20/91/40/391209140.db2.gz VEOWQGKVUOGMMD-INIZCTEOSA-N 1 2 298.390 1.101 20 30 CDEDLO CC[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)C[C@H](C)C#N ZINC000122899825 391215468 /nfs/dbraw/zinc/21/54/68/391215468.db2.gz YNOKJGYOSZWNET-GFCCVEGCSA-N 1 2 292.383 1.333 20 30 CDEDLO CC[N@@H+](CCN1C(=O)NC2(CCCC2)C1=O)C[C@H](C)C#N ZINC000122899825 391215470 /nfs/dbraw/zinc/21/54/70/391215470.db2.gz YNOKJGYOSZWNET-GFCCVEGCSA-N 1 2 292.383 1.333 20 30 CDEDLO CCCN(CC#N)C(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000339266183 391276372 /nfs/dbraw/zinc/27/63/72/391276372.db2.gz UIZYLFIAKMWTNK-KGLIPLIRSA-N 1 2 281.400 1.638 20 30 CDEDLO CCCN(CC#N)C(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000339266183 391276376 /nfs/dbraw/zinc/27/63/76/391276376.db2.gz UIZYLFIAKMWTNK-KGLIPLIRSA-N 1 2 281.400 1.638 20 30 CDEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(CSCC#N)n2)C1 ZINC000227113840 391342776 /nfs/dbraw/zinc/34/27/76/391342776.db2.gz IEKJDTVZXYKFCM-SNVBAGLBSA-N 1 2 282.369 1.608 20 30 CDEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(CSCC#N)n2)C1 ZINC000227113840 391342780 /nfs/dbraw/zinc/34/27/80/391342780.db2.gz IEKJDTVZXYKFCM-SNVBAGLBSA-N 1 2 282.369 1.608 20 30 CDEDLO COC(=O)[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000411225212 391412340 /nfs/dbraw/zinc/41/23/40/391412340.db2.gz MMWBXLMDUUHEBE-ZDUSSCGKSA-N 1 2 280.368 1.724 20 30 CDEDLO COC(=O)[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000411225212 391412344 /nfs/dbraw/zinc/41/23/44/391412344.db2.gz MMWBXLMDUUHEBE-ZDUSSCGKSA-N 1 2 280.368 1.724 20 30 CDEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](CC2(C#N)CC2)C1 ZINC000328928548 391394897 /nfs/dbraw/zinc/39/48/97/391394897.db2.gz GOHMLUSTEWMHSP-STQMWFEESA-N 1 2 277.368 1.002 20 30 CDEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](CC2(C#N)CC2)C1 ZINC000328928548 391394901 /nfs/dbraw/zinc/39/49/01/391394901.db2.gz GOHMLUSTEWMHSP-STQMWFEESA-N 1 2 277.368 1.002 20 30 CDEDLO C[C@H]1OCC[N@H+](CCCSCC#N)[C@@H]1C(N)=O ZINC000330567088 391448343 /nfs/dbraw/zinc/44/83/43/391448343.db2.gz MJIGOBHQGBUVBY-ZJUUUORDSA-N 1 2 257.359 1.258 20 30 CDEDLO C[C@H]1OCC[N@@H+](CCCSCC#N)[C@@H]1C(N)=O ZINC000330567088 391448346 /nfs/dbraw/zinc/44/83/46/391448346.db2.gz MJIGOBHQGBUVBY-ZJUUUORDSA-N 1 2 257.359 1.258 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354395920 391417896 /nfs/dbraw/zinc/41/78/96/391417896.db2.gz LIRUPXGHSGNKRW-ZDUSSCGKSA-N 1 2 292.383 1.035 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000335843500 391595212 /nfs/dbraw/zinc/59/52/12/391595212.db2.gz SGBGXTHZVJCFQA-LBPRGKRZSA-N 1 2 258.387 1.062 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000335843500 391595215 /nfs/dbraw/zinc/59/52/15/391595215.db2.gz SGBGXTHZVJCFQA-LBPRGKRZSA-N 1 2 258.387 1.062 20 30 CDEDLO CC#CCC[N@@H+]1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000360630647 391666586 /nfs/dbraw/zinc/66/65/86/391666586.db2.gz XIBKGERSRJKTDD-OAHLLOKOSA-N 1 2 256.349 1.443 20 30 CDEDLO CC#CCC[N@H+]1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000360630647 391666590 /nfs/dbraw/zinc/66/65/90/391666590.db2.gz XIBKGERSRJKTDD-OAHLLOKOSA-N 1 2 256.349 1.443 20 30 CDEDLO C=CC[N@@H+](C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000412978108 391667996 /nfs/dbraw/zinc/66/79/96/391667996.db2.gz PEYQXMXHNWKYDQ-NEPJUHHUSA-N 1 2 261.387 1.087 20 30 CDEDLO C=CC[N@H+](C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000412978108 391667998 /nfs/dbraw/zinc/66/79/98/391667998.db2.gz PEYQXMXHNWKYDQ-NEPJUHHUSA-N 1 2 261.387 1.087 20 30 CDEDLO N#CCC[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000360914160 391675985 /nfs/dbraw/zinc/67/59/85/391675985.db2.gz TWSYRPQJXLLJQV-UHFFFAOYSA-N 1 2 289.354 1.816 20 30 CDEDLO N#CCC[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000360914160 391675990 /nfs/dbraw/zinc/67/59/90/391675990.db2.gz TWSYRPQJXLLJQV-UHFFFAOYSA-N 1 2 289.354 1.816 20 30 CDEDLO C#CCC[NH+]1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000286150013 391725356 /nfs/dbraw/zinc/72/53/56/391725356.db2.gz HPALWIGOENFDAR-UHFFFAOYSA-N 1 2 277.299 1.879 20 30 CDEDLO CCN1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1=O ZINC000190169749 130069083 /nfs/dbraw/zinc/06/90/83/130069083.db2.gz XMWVOSSEBYDJLV-UHFFFAOYSA-N 1 2 274.339 1.731 20 30 CDEDLO CCN1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1=O ZINC000190169749 130069086 /nfs/dbraw/zinc/06/90/86/130069086.db2.gz XMWVOSSEBYDJLV-UHFFFAOYSA-N 1 2 274.339 1.731 20 30 CDEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cc(C3CC3)ccn2)C1 ZINC000329747286 391769934 /nfs/dbraw/zinc/76/99/34/391769934.db2.gz SFKBVEOOYAYDEO-GFCCVEGCSA-N 1 2 261.325 1.878 20 30 CDEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2cc(C3CC3)ccn2)C1 ZINC000329747286 391769936 /nfs/dbraw/zinc/76/99/36/391769936.db2.gz SFKBVEOOYAYDEO-GFCCVEGCSA-N 1 2 261.325 1.878 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCCOc1ccc(Cl)cc1 ZINC000192229649 130399075 /nfs/dbraw/zinc/39/90/75/130399075.db2.gz GYLIAQUYUPBFTF-UHFFFAOYSA-N 1 2 280.755 1.400 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCCOc1ccc(Cl)cc1 ZINC000192229649 130399078 /nfs/dbraw/zinc/39/90/78/130399078.db2.gz GYLIAQUYUPBFTF-UHFFFAOYSA-N 1 2 280.755 1.400 20 30 CDEDLO CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1(C#N)CCC1 ZINC000372314514 391847727 /nfs/dbraw/zinc/84/77/27/391847727.db2.gz DMEHOSBWSADLHL-LLVKDONJSA-N 1 2 258.325 1.350 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000187959216 392040753 /nfs/dbraw/zinc/04/07/53/392040753.db2.gz ACLCKEFSWIFRKU-INIZCTEOSA-N 1 2 298.427 1.442 20 30 CDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)C3(C#N)CCCCC3)C[C@@H]21 ZINC000152024001 392227593 /nfs/dbraw/zinc/22/75/93/392227593.db2.gz LXUXTJUTCADPAT-QWHCGFSZSA-N 1 2 277.368 1.002 20 30 CDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)C3(C#N)CCCCC3)C[C@@H]21 ZINC000152024001 392227595 /nfs/dbraw/zinc/22/75/95/392227595.db2.gz LXUXTJUTCADPAT-QWHCGFSZSA-N 1 2 277.368 1.002 20 30 CDEDLO CC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H](C)O ZINC000459463663 392441139 /nfs/dbraw/zinc/44/11/39/392441139.db2.gz MTFAFVBRVFDXMK-JTQLQIEISA-N 1 2 263.297 1.669 20 30 CDEDLO CC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H](C)O ZINC000459463663 392441143 /nfs/dbraw/zinc/44/11/43/392441143.db2.gz MTFAFVBRVFDXMK-JTQLQIEISA-N 1 2 263.297 1.669 20 30 CDEDLO Cn1c[nH+]c(CCNc2ccc(C(F)(F)F)c(C#N)n2)c1 ZINC000413382705 392835269 /nfs/dbraw/zinc/83/52/69/392835269.db2.gz MRPNPYAYDQRFNN-UHFFFAOYSA-N 1 2 295.268 1.782 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000268647993 132042157 /nfs/dbraw/zinc/04/21/57/132042157.db2.gz FWVDNUSPJHUJBU-UKRRQHHQSA-N 1 2 292.310 1.179 20 30 CDEDLO COC(=O)[C@@]1(F)CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000268647993 132042159 /nfs/dbraw/zinc/04/21/59/132042159.db2.gz FWVDNUSPJHUJBU-UKRRQHHQSA-N 1 2 292.310 1.179 20 30 CDEDLO COC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268660844 132044433 /nfs/dbraw/zinc/04/44/33/132044433.db2.gz YKHWQAPAMVXOQD-CABCVRRESA-N 1 2 288.347 1.619 20 30 CDEDLO COC(=O)[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268660844 132044434 /nfs/dbraw/zinc/04/44/34/132044434.db2.gz YKHWQAPAMVXOQD-CABCVRRESA-N 1 2 288.347 1.619 20 30 CDEDLO COC(=O)C(C)(C)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000268673971 132046823 /nfs/dbraw/zinc/04/68/23/132046823.db2.gz KWJWYYMEJNZCNK-GFCCVEGCSA-N 1 2 262.309 1.133 20 30 CDEDLO Cc1cccc(OC[C@H](O)CNc2cc(C)[nH+]cc2C#N)c1 ZINC000425204943 392994266 /nfs/dbraw/zinc/99/42/66/392994266.db2.gz ASYBUOMERWXMLL-OAHLLOKOSA-N 1 2 297.358 1.844 20 30 CDEDLO Cc1cc(CNc2cc(C)[nH+]cc2C#N)nc(C)n1 ZINC000425249571 393003877 /nfs/dbraw/zinc/00/38/77/393003877.db2.gz CUBBMTFCWKSOPC-UHFFFAOYSA-N 1 2 253.309 1.703 20 30 CDEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)[C@@H](C)C(C)(C)C)c1C#N ZINC000534057856 393090354 /nfs/dbraw/zinc/09/03/54/393090354.db2.gz ZHABIGIUMWWQDB-SNVBAGLBSA-N 1 2 291.399 1.476 20 30 CDEDLO CC[C@]1(O)CC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000425931761 393034229 /nfs/dbraw/zinc/03/42/29/393034229.db2.gz MQTIUYQWRHTYQU-HNNXBMFYSA-N 1 2 291.351 1.553 20 30 CDEDLO CC[C@]1(O)CC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000425931761 393034235 /nfs/dbraw/zinc/03/42/35/393034235.db2.gz MQTIUYQWRHTYQU-HNNXBMFYSA-N 1 2 291.351 1.553 20 30 CDEDLO C=CC[N@@H+](CCc1cncc(C)n1)[C@H]1CCS(=O)(=O)C1 ZINC000649559506 397827931 /nfs/dbraw/zinc/82/79/31/397827931.db2.gz DYFFPKCKSXKUHK-AWEZNQCLSA-N 1 2 295.408 1.003 20 30 CDEDLO C=CC[N@H+](CCc1cncc(C)n1)[C@H]1CCS(=O)(=O)C1 ZINC000649559506 397827933 /nfs/dbraw/zinc/82/79/33/397827933.db2.gz DYFFPKCKSXKUHK-AWEZNQCLSA-N 1 2 295.408 1.003 20 30 CDEDLO C[C@H](NC(=O)c1sccc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000104599426 147198911 /nfs/dbraw/zinc/19/89/11/147198911.db2.gz JWOWDIAJCGFRJK-QWRGUYRKSA-N 1 2 293.392 1.459 20 30 CDEDLO C[N@H+](Cc1cn2ccccc2c1C#N)[C@@H]1CCNC1=O ZINC000335798029 151028520 /nfs/dbraw/zinc/02/85/20/151028520.db2.gz XPKAMDBHESVLMA-CQSZACIVSA-N 1 2 268.320 1.131 20 30 CDEDLO C[N@@H+](Cc1cn2ccccc2c1C#N)[C@@H]1CCNC1=O ZINC000335798029 151028521 /nfs/dbraw/zinc/02/85/21/151028521.db2.gz XPKAMDBHESVLMA-CQSZACIVSA-N 1 2 268.320 1.131 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cc(C#N)cn1C)CCC2 ZINC000335897160 151092934 /nfs/dbraw/zinc/09/29/34/151092934.db2.gz CTIAVFQETLOTHH-ZDUSSCGKSA-N 1 2 297.362 1.709 20 30 CDEDLO CN1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2Cl)C1=O ZINC000335942718 151136189 /nfs/dbraw/zinc/13/61/89/151136189.db2.gz KODKTLCZABMUEX-CYBMUJFWSA-N 1 2 277.755 1.874 20 30 CDEDLO CN1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2Cl)C1=O ZINC000335942718 151136190 /nfs/dbraw/zinc/13/61/90/151136190.db2.gz KODKTLCZABMUEX-CYBMUJFWSA-N 1 2 277.755 1.874 20 30 CDEDLO C[C@H]1C[N@H+](Cc2cc(C#N)cs2)CC[S@](=O)C1 ZINC000336138919 151303977 /nfs/dbraw/zinc/30/39/77/151303977.db2.gz VLXLUTRKCYCQDC-BTDLBPIBSA-N 1 2 268.407 1.820 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)cs2)CC[S@](=O)C1 ZINC000336138919 151303979 /nfs/dbraw/zinc/30/39/79/151303979.db2.gz VLXLUTRKCYCQDC-BTDLBPIBSA-N 1 2 268.407 1.820 20 30 CDEDLO CCN1CCN(C(=O)c2ccc(C#N)o2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000348001555 153744876 /nfs/dbraw/zinc/74/48/76/153744876.db2.gz BRTDXSXSDGTTHB-GFCCVEGCSA-N 1 2 299.334 1.393 20 30 CDEDLO Cc1cc(S(=O)(=O)NCc2c[nH+]cn2C)ccc1C#N ZINC000349778267 154215085 /nfs/dbraw/zinc/21/50/85/154215085.db2.gz RTNDBGILYSFFNJ-UHFFFAOYSA-N 1 2 290.348 1.079 20 30 CDEDLO N#Cc1ccc(CC(=O)NCCNc2cccc[nH+]2)cc1 ZINC000356142153 157370288 /nfs/dbraw/zinc/37/02/88/157370288.db2.gz DXBNBZKUYXHONZ-UHFFFAOYSA-N 1 2 280.331 1.724 20 30 CDEDLO CCN1CCN(c2cccnc2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000368184577 159603404 /nfs/dbraw/zinc/60/34/04/159603404.db2.gz NACNSXNBCSICNI-CQSZACIVSA-N 1 2 282.351 1.560 20 30 CDEDLO Cn1cc(C[N@@H+]2CCn3c(nnc3C3CC3)C2)cc1C#N ZINC000372813103 160151226 /nfs/dbraw/zinc/15/12/26/160151226.db2.gz FSRZUXQYYFUBSJ-UHFFFAOYSA-N 1 2 282.351 1.381 20 30 CDEDLO Cn1cc(C[N@H+]2CCn3c(nnc3C3CC3)C2)cc1C#N ZINC000372813103 160151228 /nfs/dbraw/zinc/15/12/28/160151228.db2.gz FSRZUXQYYFUBSJ-UHFFFAOYSA-N 1 2 282.351 1.381 20 30 CDEDLO C=CCN(C(=O)N[C@H]1CCn2cc[nH+]c2C1)[C@H](C)COC ZINC000664713986 413604820 /nfs/dbraw/zinc/60/48/20/413604820.db2.gz GOWPFBACZJFSOO-OLZOCXBDSA-N 1 2 292.383 1.430 20 30 CDEDLO C=C(CC)CNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000665064378 413827891 /nfs/dbraw/zinc/82/78/91/413827891.db2.gz ZGEMHQQCCDEYKK-UHFFFAOYSA-N 1 2 295.427 1.706 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2ccc(C)n(C)c2=O)nn1 ZINC000657451192 414340685 /nfs/dbraw/zinc/34/06/85/414340685.db2.gz JMRFWWMCMMITIE-UHFFFAOYSA-N 1 2 287.367 1.151 20 30 CDEDLO O=C(NC1CCOCC1)C1([NH+]2CCOCC2)CCC1 ZINC000329081190 227286229 /nfs/dbraw/zinc/28/62/29/227286229.db2.gz CYQXRHOZSYZRHQ-UHFFFAOYSA-N 1 2 268.357 1.377 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)C1(N2CCOCC2)CCC1 ZINC000329338876 227452479 /nfs/dbraw/zinc/45/24/79/227452479.db2.gz QRKJPNXLMROIQX-UHFFFAOYSA-N 1 2 278.356 1.430 20 30 CDEDLO C[C@]1(O)CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000330053245 228027187 /nfs/dbraw/zinc/02/71/87/228027187.db2.gz QEBVEKLZBWNIIM-RISCZKNCSA-N 1 2 278.356 1.131 20 30 CDEDLO N#CCN1CC[NH+](Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000353144090 228064193 /nfs/dbraw/zinc/06/41/93/228064193.db2.gz IIUQWWNQWUSASN-UHFFFAOYSA-N 1 2 287.289 1.087 20 30 CDEDLO N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331813983 228129669 /nfs/dbraw/zinc/12/96/69/228129669.db2.gz UKMGUMKBBKPWJH-XQQFMLRXSA-N 1 2 287.367 1.991 20 30 CDEDLO C[C@@H]1C[N@@H+](CC2(C#N)CC2)C[C@H](C)N1CC1(C#N)CC1 ZINC000407960426 260075641 /nfs/dbraw/zinc/07/56/41/260075641.db2.gz XZWKDMJXFBEIGD-OKILXGFUSA-N 1 2 272.396 1.989 20 30 CDEDLO C[C@@H]1C[N@H+](CC2(C#N)CC2)C[C@H](C)N1CC1(C#N)CC1 ZINC000407960426 260075643 /nfs/dbraw/zinc/07/56/43/260075643.db2.gz XZWKDMJXFBEIGD-OKILXGFUSA-N 1 2 272.396 1.989 20 30 CDEDLO C[C@@H]1CN(CC2(C#N)CC2)C[C@H](C)[N@H+]1CC1(C#N)CC1 ZINC000407960426 260075644 /nfs/dbraw/zinc/07/56/44/260075644.db2.gz XZWKDMJXFBEIGD-OKILXGFUSA-N 1 2 272.396 1.989 20 30 CDEDLO C[C@@H]1CN(CC2(C#N)CC2)C[C@H](C)[N@@H+]1CC1(C#N)CC1 ZINC000407960426 260075646 /nfs/dbraw/zinc/07/56/46/260075646.db2.gz XZWKDMJXFBEIGD-OKILXGFUSA-N 1 2 272.396 1.989 20 30 CDEDLO CCCNC(=O)CO[NH+]=C(N)c1ccc(C)c(F)c1 ZINC000048610771 260201539 /nfs/dbraw/zinc/20/15/39/260201539.db2.gz DASBLMLMUFBSDX-UHFFFAOYSA-N 1 2 267.304 1.297 20 30 CDEDLO C=C[C@@H](C)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000158798097 260904214 /nfs/dbraw/zinc/90/42/14/260904214.db2.gz GSQOXFGOIXPNKX-DGCLKSJQSA-N 1 2 261.325 1.819 20 30 CDEDLO COC(=O)C[C@@H]1C[N@H+](CCC(C)(C)C#N)CCO1 ZINC000152040967 261058494 /nfs/dbraw/zinc/05/84/94/261058494.db2.gz LNQNDUSIOGBLKT-LLVKDONJSA-N 1 2 254.330 1.190 20 30 CDEDLO COC(=O)C[C@@H]1C[N@@H+](CCC(C)(C)C#N)CCO1 ZINC000152040967 261058496 /nfs/dbraw/zinc/05/84/96/261058496.db2.gz LNQNDUSIOGBLKT-LLVKDONJSA-N 1 2 254.330 1.190 20 30 CDEDLO N#CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000153539219 261079736 /nfs/dbraw/zinc/07/97/36/261079736.db2.gz UEJIIHPJABWYDM-CQSZACIVSA-N 1 2 273.336 1.090 20 30 CDEDLO Cc1ncsc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000154747465 261094745 /nfs/dbraw/zinc/09/47/45/261094745.db2.gz RPRFLJLSPHJNPC-UHFFFAOYSA-N 1 2 294.424 1.499 20 30 CDEDLO N#CCC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000184873834 262031380 /nfs/dbraw/zinc/03/13/80/262031380.db2.gz NGYPHUWAHMCVGZ-UHFFFAOYSA-N 1 2 277.755 1.898 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000491792548 262056848 /nfs/dbraw/zinc/05/68/48/262056848.db2.gz GNANNKISPPBAHB-MELADBBJSA-N 1 2 276.380 1.458 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000491792548 262056849 /nfs/dbraw/zinc/05/68/49/262056849.db2.gz GNANNKISPPBAHB-MELADBBJSA-N 1 2 276.380 1.458 20 30 CDEDLO CC#CCCNC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000355171556 262352197 /nfs/dbraw/zinc/35/21/97/262352197.db2.gz ZMCMZGXNNJPKLM-GFCCVEGCSA-N 1 2 260.341 1.584 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425859429 263040094 /nfs/dbraw/zinc/04/00/94/263040094.db2.gz JCJPVXZMDSECRK-MELADBBJSA-N 1 2 294.399 1.041 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)C[C@@H](C#N)CCC#N)C1=O ZINC000281521189 263069815 /nfs/dbraw/zinc/06/98/15/263069815.db2.gz ZJFXDULWKSSXBZ-CHWSQXEVSA-N 1 2 260.341 1.149 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](C#N)CCC#N)C1=O ZINC000281521189 263069816 /nfs/dbraw/zinc/06/98/16/263069816.db2.gz ZJFXDULWKSSXBZ-CHWSQXEVSA-N 1 2 260.341 1.149 20 30 CDEDLO CO/N=C/C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000283451911 263083010 /nfs/dbraw/zinc/08/30/10/263083010.db2.gz NWDFTQYTBQLWDB-LDADJPATSA-N 1 2 286.335 1.374 20 30 CDEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)[C@@H]2CCCO2)cc1 ZINC000284414045 263086882 /nfs/dbraw/zinc/08/68/82/263086882.db2.gz NSHDFMYZGBSCOA-LBPRGKRZSA-N 1 2 277.324 1.401 20 30 CDEDLO COCc1cccc(CO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000284477524 263087013 /nfs/dbraw/zinc/08/70/13/263087013.db2.gz RQABELFUSLCJKA-ZDUSSCGKSA-N 1 2 264.325 1.801 20 30 CDEDLO CC#CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000341052755 263319335 /nfs/dbraw/zinc/31/93/35/263319335.db2.gz SMYMGOWDMRXEQC-UHFFFAOYSA-N 1 2 298.302 1.876 20 30 CDEDLO CC(C)[C@H]1C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000330730722 264036878 /nfs/dbraw/zinc/03/68/78/264036878.db2.gz IHTZYHOMUHDINE-CHWSQXEVSA-N 1 2 267.373 1.104 20 30 CDEDLO CC(C)[C@H]1C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CCO1 ZINC000330730722 264036881 /nfs/dbraw/zinc/03/68/81/264036881.db2.gz IHTZYHOMUHDINE-CHWSQXEVSA-N 1 2 267.373 1.104 20 30 CDEDLO Cn1nc(C(C)(C)C)cc1C(=O)NCc1c[nH+]c[nH]1 ZINC000330893067 264076883 /nfs/dbraw/zinc/07/68/83/264076883.db2.gz JCLAVQKLACQPDU-UHFFFAOYSA-N 1 2 261.329 1.946 20 30 CDEDLO Cn1nc(C(C)(C)C)cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000330893067 264076885 /nfs/dbraw/zinc/07/68/85/264076885.db2.gz JCLAVQKLACQPDU-UHFFFAOYSA-N 1 2 261.329 1.946 20 30 CDEDLO CCc1cncc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)c1 ZINC000330958527 264088233 /nfs/dbraw/zinc/08/82/33/264088233.db2.gz KVRIZGDJIALBJD-LBPRGKRZSA-N 1 2 277.368 1.669 20 30 CDEDLO CCc1cncc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)c1 ZINC000330958527 264088235 /nfs/dbraw/zinc/08/82/35/264088235.db2.gz KVRIZGDJIALBJD-LBPRGKRZSA-N 1 2 277.368 1.669 20 30 CDEDLO CN(C)c1ccc(CNC(=O)N2CC[C@H](CCO)C2)c[nH+]1 ZINC000330932743 264096771 /nfs/dbraw/zinc/09/67/71/264096771.db2.gz AWFBIPIYDJOJPB-GFCCVEGCSA-N 1 2 292.383 1.266 20 30 CDEDLO CC(C)(C)N1CC[C@@H]([NH+]2CCC(F)(C#N)CC2)C1=O ZINC000425440766 264320607 /nfs/dbraw/zinc/32/06/07/264320607.db2.gz BXJPIMVPZPXIST-LLVKDONJSA-N 1 2 267.348 1.713 20 30 CDEDLO C#CC[NH+]1CCN(Cc2csc([C@H](C)OCC)n2)CC1 ZINC000075887689 264332053 /nfs/dbraw/zinc/33/20/53/264332053.db2.gz CVTLVCMAFXIFGI-ZDUSSCGKSA-N 1 2 293.436 1.991 20 30 CDEDLO C=C(C)CCNC(=O)NCCCCn1cc[nH+]c1 ZINC000652187952 424020231 /nfs/dbraw/zinc/02/02/31/424020231.db2.gz RFKKXMFXNQKWCX-UHFFFAOYSA-N 1 2 250.346 1.929 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](OCC)C2)nn1 ZINC000653558157 424279168 /nfs/dbraw/zinc/27/91/68/424279168.db2.gz WAKPKSXELAYYAD-AWEZNQCLSA-N 1 2 264.373 1.855 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](OCC)C2)nn1 ZINC000653558157 424279175 /nfs/dbraw/zinc/27/91/75/424279175.db2.gz WAKPKSXELAYYAD-AWEZNQCLSA-N 1 2 264.373 1.855 20 30 CDEDLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+](C)C[C@H](C)C#N ZINC000358507296 266470922 /nfs/dbraw/zinc/47/09/22/266470922.db2.gz JUVNNDXRQYQXKW-XJFOESAGSA-N 1 2 265.401 1.971 20 30 CDEDLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+](C)C[C@H](C)C#N ZINC000358507296 266470924 /nfs/dbraw/zinc/47/09/24/266470924.db2.gz JUVNNDXRQYQXKW-XJFOESAGSA-N 1 2 265.401 1.971 20 30 CDEDLO CN(C(=O)CCc1c[nH+]c[nH]1)c1cccc(C#N)c1 ZINC000527237488 267271815 /nfs/dbraw/zinc/27/18/15/267271815.db2.gz ABUNIJAYQZVIJI-UHFFFAOYSA-N 1 2 254.293 1.877 20 30 CDEDLO CN(C(=O)CCc1c[nH]c[nH+]1)c1cccc(C#N)c1 ZINC000527237488 267271816 /nfs/dbraw/zinc/27/18/16/267271816.db2.gz ABUNIJAYQZVIJI-UHFFFAOYSA-N 1 2 254.293 1.877 20 30 CDEDLO N#CC1(c2ccccn2)CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000370293049 267307599 /nfs/dbraw/zinc/30/75/99/267307599.db2.gz BNXORDFLWVKCTJ-UHFFFAOYSA-N 1 2 267.336 1.862 20 30 CDEDLO N#Cc1ccc(OC[C@H](O)C[NH+]2CC(OC(F)F)C2)cc1 ZINC000399866751 268177452 /nfs/dbraw/zinc/17/74/52/268177452.db2.gz ANGDSNXSXHGWGV-LLVKDONJSA-N 1 2 298.289 1.221 20 30 CDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](C#N)C1 ZINC000528562222 268296108 /nfs/dbraw/zinc/29/61/08/268296108.db2.gz VLEOYSYLHOXNSX-JSGCOSHPSA-N 1 2 271.320 1.143 20 30 CDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](C#N)C1 ZINC000528562222 268296110 /nfs/dbraw/zinc/29/61/10/268296110.db2.gz VLEOYSYLHOXNSX-JSGCOSHPSA-N 1 2 271.320 1.143 20 30 CDEDLO COC(=O)[C@H]([NH2+]CCOc1cccc(C#N)c1)C(C)C ZINC000547299168 289762255 /nfs/dbraw/zinc/76/22/55/289762255.db2.gz VEGPRPZDDWXSGK-CQSZACIVSA-N 1 2 276.336 1.724 20 30 CDEDLO Cn1c2ccccc2[nH+]c1CCCNc1ccnc(C#N)n1 ZINC000563421378 290549897 /nfs/dbraw/zinc/54/98/97/290549897.db2.gz JQYVPIUXXXUVNZ-UHFFFAOYSA-N 1 2 292.346 1.702 20 30 CDEDLO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1nnnn1CC1CC1)CC2 ZINC000571096781 294368571 /nfs/dbraw/zinc/36/85/71/294368571.db2.gz SUPVIUZVFNIDFS-HNNXBMFYSA-N 1 2 294.362 1.732 20 30 CDEDLO Cc1cc(NC(=O)C[N@@H+]2CCOCC3(CC3)C2)on1 ZINC000329421444 301345404 /nfs/dbraw/zinc/34/54/04/301345404.db2.gz DSWDGHFMBRDLLM-UHFFFAOYSA-N 1 2 265.313 1.683 20 30 CDEDLO Cc1cc(NC(=O)C[N@H+]2CCOCC3(CC3)C2)on1 ZINC000329421444 301345407 /nfs/dbraw/zinc/34/54/07/301345407.db2.gz DSWDGHFMBRDLLM-UHFFFAOYSA-N 1 2 265.313 1.683 20 30 CDEDLO C=CCNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000119314136 327899337 /nfs/dbraw/zinc/89/93/37/327899337.db2.gz HFWUWXANNRUITI-UHFFFAOYSA-N 1 2 276.340 1.534 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccn(C2CCCC2)n1 ZINC000570969845 327966855 /nfs/dbraw/zinc/96/68/55/327966855.db2.gz BVVISRPWESGSAG-OAHLLOKOSA-N 1 2 289.383 1.572 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCC1(c2ccccc2)CC1 ZINC000339760428 328055257 /nfs/dbraw/zinc/05/52/57/328055257.db2.gz SRPATNFVSWZYBY-UHFFFAOYSA-N 1 2 270.376 1.790 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCC1(c2ccccc2)CC1 ZINC000339760428 328055259 /nfs/dbraw/zinc/05/52/59/328055259.db2.gz SRPATNFVSWZYBY-UHFFFAOYSA-N 1 2 270.376 1.790 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CC12CCCCC2 ZINC000571450750 328122923 /nfs/dbraw/zinc/12/29/23/328122923.db2.gz UYJYTSHFAYKFFD-GXTWGEPZSA-N 1 2 263.385 1.917 20 30 CDEDLO Oc1ccc(/C=[NH+]/CCCO[C@H]2CCOC2)c(O)c1O ZINC000268113929 328182479 /nfs/dbraw/zinc/18/24/79/328182479.db2.gz RMZBARUQOCQWHX-UXYFDLPDSA-N 1 2 281.308 1.418 20 30 CDEDLO NC(=[NH+]OCc1csc(C2CC2)n1)[C@H]1CCCO1 ZINC000284443996 328245963 /nfs/dbraw/zinc/24/59/63/328245963.db2.gz PMXBRYDVUOTFRU-SNVBAGLBSA-N 1 2 267.354 1.988 20 30 CDEDLO C=CC[C@H](CO)C[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000340318042 328255018 /nfs/dbraw/zinc/25/50/18/328255018.db2.gz SSWIYVHAWRFBRN-JQWIXIFHSA-N 1 2 278.381 1.730 20 30 CDEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COc1ccccc1 ZINC000292176557 328268475 /nfs/dbraw/zinc/26/84/75/328268475.db2.gz MEKBTXPFMQPFBJ-CQSZACIVSA-N 1 2 260.337 1.828 20 30 CDEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COc1ccccc1 ZINC000292176557 328268477 /nfs/dbraw/zinc/26/84/77/328268477.db2.gz MEKBTXPFMQPFBJ-CQSZACIVSA-N 1 2 260.337 1.828 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091892357 327186901 /nfs/dbraw/zinc/18/69/01/327186901.db2.gz LDEWRWXBLPDSOV-LBPRGKRZSA-N 1 2 289.354 1.944 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCc2cc(F)ccc2C1 ZINC000091892357 327186902 /nfs/dbraw/zinc/18/69/02/327186902.db2.gz LDEWRWXBLPDSOV-LBPRGKRZSA-N 1 2 289.354 1.944 20 30 CDEDLO N#C[C@H](NC(=O)CCn1cc[nH+]c1)C1CCCCC1 ZINC000267252363 328838342 /nfs/dbraw/zinc/83/83/42/328838342.db2.gz MMUFTSXPCMKMIF-ZDUSSCGKSA-N 1 2 260.341 1.862 20 30 CDEDLO CS(=O)(=O)c1ccccc1C[NH2+]C[C@H](C#N)CCC#N ZINC000582296556 328952526 /nfs/dbraw/zinc/95/25/26/328952526.db2.gz MUUFWCSVTIGLRF-LBPRGKRZSA-N 1 2 291.376 1.623 20 30 CDEDLO C=C(C)CN(CC)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000079512355 330039215 /nfs/dbraw/zinc/03/92/15/330039215.db2.gz LCNGLPLMBXGQNF-LBPRGKRZSA-N 1 2 250.346 1.879 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(OCCF)c1 ZINC000572394568 330057627 /nfs/dbraw/zinc/05/76/27/330057627.db2.gz JHCCFBUUPCCRFJ-AWEZNQCLSA-N 1 2 295.358 1.653 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(OCCF)c1 ZINC000572394568 330057628 /nfs/dbraw/zinc/05/76/28/330057628.db2.gz JHCCFBUUPCCRFJ-AWEZNQCLSA-N 1 2 295.358 1.653 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCc1ccccc1F)C1CC1 ZINC000274143395 330103816 /nfs/dbraw/zinc/10/38/16/330103816.db2.gz JYNMBOFUQQWZAG-UHFFFAOYSA-N 1 2 260.312 1.540 20 30 CDEDLO C#CC[N@H+](CC(=O)NCc1ccccc1F)C1CC1 ZINC000274143395 330103817 /nfs/dbraw/zinc/10/38/17/330103817.db2.gz JYNMBOFUQQWZAG-UHFFFAOYSA-N 1 2 260.312 1.540 20 30 CDEDLO C#CC[N@@H+](Cc1cn(C)nc1C(=O)OCC)C1CC1 ZINC000274506229 330106619 /nfs/dbraw/zinc/10/66/19/330106619.db2.gz TZAKFTQWWHCHHK-UHFFFAOYSA-N 1 2 261.325 1.194 20 30 CDEDLO C#CC[N@H+](Cc1cn(C)nc1C(=O)OCC)C1CC1 ZINC000274506229 330106621 /nfs/dbraw/zinc/10/66/21/330106621.db2.gz TZAKFTQWWHCHHK-UHFFFAOYSA-N 1 2 261.325 1.194 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccc(CC)nc2)nn1 ZINC000424175171 330315249 /nfs/dbraw/zinc/31/52/49/330315249.db2.gz STNHUXGAGDNIGV-UHFFFAOYSA-N 1 2 257.341 1.711 20 30 CDEDLO C=CC[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000121292321 330399279 /nfs/dbraw/zinc/39/92/79/330399279.db2.gz DLYPKPDPOHVBFI-UHFFFAOYSA-N 1 2 284.337 1.486 20 30 CDEDLO C=CC[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000121292321 330399280 /nfs/dbraw/zinc/39/92/80/330399280.db2.gz DLYPKPDPOHVBFI-UHFFFAOYSA-N 1 2 284.337 1.486 20 30 CDEDLO C[C@H]1C[C@]1(C#N)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000448628587 330744976 /nfs/dbraw/zinc/74/49/76/330744976.db2.gz BMEOXWNRXFODDZ-BLLLJJGKSA-N 1 2 284.363 1.848 20 30 CDEDLO C=CCC[C@@H](CO)Nc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000450894666 331005470 /nfs/dbraw/zinc/00/54/70/331005470.db2.gz JSYCTOWEGGQUQA-NSHDSACASA-N 1 2 279.388 1.222 20 30 CDEDLO C=CCC[C@@H](CO)Nc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000450894666 331005471 /nfs/dbraw/zinc/00/54/71/331005471.db2.gz JSYCTOWEGGQUQA-NSHDSACASA-N 1 2 279.388 1.222 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CC(C)C)C(=O)OCC ZINC000451607909 331036564 /nfs/dbraw/zinc/03/65/64/331036564.db2.gz LZUYDTPCMXCNAJ-UPJWGTAASA-N 1 2 255.358 1.897 20 30 CDEDLO C[C@@H](O)C[N@H+](CCCSCC#N)CC(F)F ZINC000451853681 331044788 /nfs/dbraw/zinc/04/47/88/331044788.db2.gz PKRMEYLEKBOKFN-SECBINFHSA-N 1 2 252.330 1.581 20 30 CDEDLO C[C@@H](O)C[N@@H+](CCCSCC#N)CC(F)F ZINC000451853681 331044789 /nfs/dbraw/zinc/04/47/89/331044789.db2.gz PKRMEYLEKBOKFN-SECBINFHSA-N 1 2 252.330 1.581 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000456767849 331201860 /nfs/dbraw/zinc/20/18/60/331201860.db2.gz NGENDCKGMIHZDZ-KFWWJZLASA-N 1 2 298.427 1.319 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000456767849 331201861 /nfs/dbraw/zinc/20/18/61/331201861.db2.gz NGENDCKGMIHZDZ-KFWWJZLASA-N 1 2 298.427 1.319 20 30 CDEDLO C#CCN(CC#CC)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000490676128 332102428 /nfs/dbraw/zinc/10/24/28/332102428.db2.gz GQGJUNINYZEUQM-UHFFFAOYSA-N 1 2 279.343 1.670 20 30 CDEDLO C#C[C@@H]1COCCN1C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000491372745 332199248 /nfs/dbraw/zinc/19/92/48/332199248.db2.gz KUYWRANTZRZSCD-NWDGAFQWSA-N 1 2 276.340 1.008 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000491691694 332288300 /nfs/dbraw/zinc/28/83/00/332288300.db2.gz PJBJHJYRTSZRKS-LLVKDONJSA-N 1 2 256.309 1.497 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1ccc(Cl)nc1 ZINC000493056934 332424541 /nfs/dbraw/zinc/42/45/41/332424541.db2.gz UOYDHBPFENQSSC-DYLGSBMWSA-N 1 2 292.770 1.708 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1ccc(F)cc1F ZINC000521631953 333180342 /nfs/dbraw/zinc/18/03/42/333180342.db2.gz PDDWZPWQABAFMV-OAHLLOKOSA-N 1 2 295.333 1.857 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCC(F)(F)F ZINC000521882373 333195549 /nfs/dbraw/zinc/19/55/49/333195549.db2.gz GNWZGDFYJNCBPS-SECBINFHSA-N 1 2 251.252 1.289 20 30 CDEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCC1(C#N)CC1 ZINC000522057195 333232297 /nfs/dbraw/zinc/23/22/97/333232297.db2.gz HNZBLAAUGFWCOG-UHFFFAOYSA-N 1 2 287.367 1.665 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000192225904 333232606 /nfs/dbraw/zinc/23/26/06/333232606.db2.gz UPOKUMKAKDBOHW-UHFFFAOYSA-N 1 2 261.281 1.407 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000192225904 333232607 /nfs/dbraw/zinc/23/26/07/333232607.db2.gz UPOKUMKAKDBOHW-UHFFFAOYSA-N 1 2 261.281 1.407 20 30 CDEDLO C[C@@H](C#N)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000522984129 333303295 /nfs/dbraw/zinc/30/32/95/333303295.db2.gz CNRKYSUSOSYMHP-WCQYABFASA-N 1 2 268.320 1.785 20 30 CDEDLO C[C@@H](C#N)CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000542876829 333847227 /nfs/dbraw/zinc/84/72/27/333847227.db2.gz IDAKFNCQYMEFHJ-JSGCOSHPSA-N 1 2 297.362 1.968 20 30 CDEDLO Cn1nccc1-c1ccccc1C[NH+]1CC(O)(CC#N)C1 ZINC000552019754 334276545 /nfs/dbraw/zinc/27/65/45/334276545.db2.gz QYCZHSJVAXMGNJ-UHFFFAOYSA-N 1 2 282.347 1.547 20 30 CDEDLO C=CCOc1ccccc1CNC(=O)Cc1c[nH+]cn1C ZINC000554565071 334439165 /nfs/dbraw/zinc/43/91/65/334439165.db2.gz GHXZUIKNJZJBCX-UHFFFAOYSA-N 1 2 285.347 1.844 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1cccs1 ZINC000555482823 334479573 /nfs/dbraw/zinc/47/95/73/334479573.db2.gz MVOAWDRBLFSMFC-CYBMUJFWSA-N 1 2 265.382 1.641 20 30 CDEDLO C=CCn1nnnc1SCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000568270506 334811071 /nfs/dbraw/zinc/81/10/71/334811071.db2.gz ILJREAJSELRYOB-GHMZBOCLSA-N 1 2 283.401 1.060 20 30 CDEDLO C[C@@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000576411928 335200865 /nfs/dbraw/zinc/20/08/65/335200865.db2.gz KARAHBVYJNDORW-BXUZGUMPSA-N 1 2 293.330 1.841 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000580647836 335310986 /nfs/dbraw/zinc/31/09/86/335310986.db2.gz XURVQINJPNNTMM-RISCZKNCSA-N 1 2 261.300 1.892 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1csc(Cl)c1 ZINC000577875954 335416122 /nfs/dbraw/zinc/41/61/22/335416122.db2.gz HNTBBASOKIDSNP-LLVKDONJSA-N 1 2 271.773 1.975 20 30 CDEDLO Cn1cc(CNc2cc(CC#N)cc[nH+]2)cc1C#N ZINC000579783989 335882574 /nfs/dbraw/zinc/88/25/74/335882574.db2.gz OEIVGONOLXGJTO-UHFFFAOYSA-N 1 2 251.293 1.970 20 30 CDEDLO Cc1cc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)n(CCC#N)n1 ZINC000581705118 336131549 /nfs/dbraw/zinc/13/15/49/336131549.db2.gz DYOUQOGGPKQUGJ-LBPRGKRZSA-N 1 2 298.350 1.503 20 30 CDEDLO C#CCCCCC(=O)N[C@]1(C)CC[N@H+](Cc2ccon2)C1 ZINC001754672574 1159415238 /nfs/dbraw/zinc/41/52/38/1159415238.db2.gz KTTQGPCYVKRHBT-MRXNPFEDSA-N 1 2 289.379 1.949 20 30 CDEDLO C#CCCCCC(=O)N[C@]1(C)CC[N@@H+](Cc2ccon2)C1 ZINC001754672574 1159415240 /nfs/dbraw/zinc/41/52/40/1159415240.db2.gz KTTQGPCYVKRHBT-MRXNPFEDSA-N 1 2 289.379 1.949 20 30 CDEDLO C=CCOCC(=O)N[C@H]1CCC[N@H+](CC(=C)Cl)[C@@H]1C ZINC001755714876 1160488964 /nfs/dbraw/zinc/48/89/64/1160488964.db2.gz QXKSQRHUGQVRPN-OLZOCXBDSA-N 1 2 286.803 1.911 20 30 CDEDLO C=CCOCC(=O)N[C@H]1CCC[N@@H+](CC(=C)Cl)[C@@H]1C ZINC001755714876 1160488967 /nfs/dbraw/zinc/48/89/67/1160488967.db2.gz QXKSQRHUGQVRPN-OLZOCXBDSA-N 1 2 286.803 1.911 20 30 CDEDLO C=CCOCC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673725018 482827151 /nfs/dbraw/zinc/82/71/51/482827151.db2.gz AKIVLXZUTRYPHI-UHFFFAOYSA-N 1 2 273.336 1.504 20 30 CDEDLO C=CCCS(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000675755610 483362424 /nfs/dbraw/zinc/36/24/24/483362424.db2.gz NOFBQVJCSHRYLF-GFCCVEGCSA-N 1 2 269.370 1.426 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCc1ccncn1 ZINC001483343964 1160910089 /nfs/dbraw/zinc/91/00/89/1160910089.db2.gz MIUGTIQGORQPFR-LBPRGKRZSA-N 1 2 296.802 1.598 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCc1ccncn1 ZINC001483343964 1160910097 /nfs/dbraw/zinc/91/00/97/1160910097.db2.gz MIUGTIQGORQPFR-LBPRGKRZSA-N 1 2 296.802 1.598 20 30 CDEDLO CC(=O)N1CCC[C@@H](CNc2[nH+]cccc2CC#N)C1 ZINC001168775653 1161978580 /nfs/dbraw/zinc/97/85/80/1161978580.db2.gz QQMYPDNDBHLBLC-ZDUSSCGKSA-N 1 2 272.352 1.818 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000347054744 534284651 /nfs/dbraw/zinc/28/46/51/534284651.db2.gz AADBXWXBSQIALS-MFKMUULPSA-N 1 2 286.310 1.924 20 30 CDEDLO Cc1cc(N2CCC[C@H](S(C)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000399525274 518187484 /nfs/dbraw/zinc/18/74/84/518187484.db2.gz RYIMAYJLIFOCHU-LBPRGKRZSA-N 1 2 279.365 1.275 20 30 CDEDLO N#CC1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000142102921 518196300 /nfs/dbraw/zinc/19/63/00/518196300.db2.gz IEDXCNCMSBWKTN-UHFFFAOYSA-N 1 2 274.349 1.492 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC001113324219 1162156891 /nfs/dbraw/zinc/15/68/91/1162156891.db2.gz DTVPOFUWXWBMRS-RDJZCZTQSA-N 1 2 292.423 1.914 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC001113324217 1162157215 /nfs/dbraw/zinc/15/72/15/1162157215.db2.gz DTVPOFUWXWBMRS-NVXWUHKLSA-N 1 2 292.423 1.914 20 30 CDEDLO Cn1ccc(CNc2cc(CC#N)cc[nH+]2)cc1=O ZINC001157614511 1162241702 /nfs/dbraw/zinc/24/17/02/1162241702.db2.gz HWILPOWOOACMLK-UHFFFAOYSA-N 1 2 254.293 1.458 20 30 CDEDLO Cc1cccc(C[N@H+](C)CC(=O)NC2(C#N)CCC2)n1 ZINC000346977605 534701597 /nfs/dbraw/zinc/70/15/97/534701597.db2.gz KDIKTTPDKKIASY-UHFFFAOYSA-N 1 2 272.352 1.384 20 30 CDEDLO Cc1cccc(C[N@@H+](C)CC(=O)NC2(C#N)CCC2)n1 ZINC000346977605 534701600 /nfs/dbraw/zinc/70/16/00/534701600.db2.gz KDIKTTPDKKIASY-UHFFFAOYSA-N 1 2 272.352 1.384 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)OCCC(C)C)CC1 ZINC001113715415 1162265446 /nfs/dbraw/zinc/26/54/46/1162265446.db2.gz ZIOWUTIARWGKIT-AWEZNQCLSA-N 1 2 268.401 1.768 20 30 CDEDLO Cc1ncc(C(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)[nH]1 ZINC000330338402 534724226 /nfs/dbraw/zinc/72/42/26/534724226.db2.gz VIWRKNNARBFUBX-ZWNOBZJWSA-N 1 2 289.339 1.677 20 30 CDEDLO CN(C(=O)c1ccc2[nH+]ccn2c1)C1(C#N)CCC1 ZINC000068306362 523940310 /nfs/dbraw/zinc/94/03/10/523940310.db2.gz SCVFOETXYOYIDN-UHFFFAOYSA-N 1 2 254.293 1.853 20 30 CDEDLO C=CCCCCCN(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000352275859 527126220 /nfs/dbraw/zinc/12/62/20/527126220.db2.gz PSRDPMBVYJBRRO-AWEZNQCLSA-N 1 2 268.401 1.912 20 30 CDEDLO CC[C@@H](C(=O)OC)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000171345423 535448743 /nfs/dbraw/zinc/44/87/43/535448743.db2.gz XNAQGQJJRPAUBS-AWEZNQCLSA-N 1 2 287.363 1.632 20 30 CDEDLO CN(C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1)C1CC1 ZINC000329345985 538561631 /nfs/dbraw/zinc/56/16/31/538561631.db2.gz REJUXMSQVRQSTM-ZDUSSCGKSA-N 1 2 292.383 1.896 20 30 CDEDLO C[C@H]1c2c(F)cccc2CC[N@H+]1CC(=O)NCCC#N ZINC000738339777 574510906 /nfs/dbraw/zinc/51/09/06/574510906.db2.gz JAYBKNATTXLXIO-NSHDSACASA-N 1 2 275.327 1.775 20 30 CDEDLO C[C@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)NCCC#N ZINC000738339777 574510907 /nfs/dbraw/zinc/51/09/07/574510907.db2.gz JAYBKNATTXLXIO-NSHDSACASA-N 1 2 275.327 1.775 20 30 CDEDLO CCOc1ccc(O)c(/C=N\CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC000729149691 574723267 /nfs/dbraw/zinc/72/32/67/574723267.db2.gz NUBJFMCCDVFGIE-MFVBVHDHSA-N 1 2 292.379 1.931 20 30 CDEDLO CCOc1ccc(O)c(/C=N\CC[N@H+]2CCOC[C@@H]2C)c1 ZINC000729149691 574723268 /nfs/dbraw/zinc/72/32/68/574723268.db2.gz NUBJFMCCDVFGIE-MFVBVHDHSA-N 1 2 292.379 1.931 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)CCC=C)CC1 ZINC000772116284 575662650 /nfs/dbraw/zinc/66/26/50/575662650.db2.gz PNCDTDRQCQAPGO-UHFFFAOYSA-N 1 2 263.337 1.410 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000732057897 575077788 /nfs/dbraw/zinc/07/77/88/575077788.db2.gz KRWDRFOCJUZUMB-INIZCTEOSA-N 1 2 294.358 1.908 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000732057897 575077790 /nfs/dbraw/zinc/07/77/90/575077790.db2.gz KRWDRFOCJUZUMB-INIZCTEOSA-N 1 2 294.358 1.908 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000732057897 575077791 /nfs/dbraw/zinc/07/77/91/575077791.db2.gz KRWDRFOCJUZUMB-INIZCTEOSA-N 1 2 294.358 1.908 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000732057897 575077793 /nfs/dbraw/zinc/07/77/93/575077793.db2.gz KRWDRFOCJUZUMB-INIZCTEOSA-N 1 2 294.358 1.908 20 30 CDEDLO N#CCCN1CC[NH+](C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000760945154 576527549 /nfs/dbraw/zinc/52/75/49/576527549.db2.gz WJTMOWFFIFORDD-OAHLLOKOSA-N 1 2 295.333 1.529 20 30 CDEDLO Cc1cc(C=NNc2ccc(-n3cc[nH+]c3)nn2)sn1 ZINC000761831598 576596302 /nfs/dbraw/zinc/59/63/02/576596302.db2.gz SFCXNZXPHTVRIV-UHFFFAOYSA-N 1 2 285.336 1.873 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000769960990 575403696 /nfs/dbraw/zinc/40/36/96/575403696.db2.gz KACKFODXWHKTHX-GFCCVEGCSA-N 1 2 280.331 1.374 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000769960990 575403697 /nfs/dbraw/zinc/40/36/97/575403697.db2.gz KACKFODXWHKTHX-GFCCVEGCSA-N 1 2 280.331 1.374 20 30 CDEDLO CC#CC[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000735449383 575468983 /nfs/dbraw/zinc/46/89/83/575468983.db2.gz PJZGNMVZFLLLDQ-UHFFFAOYSA-N 1 2 259.288 1.461 20 30 CDEDLO CC#CC[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000735449383 575468985 /nfs/dbraw/zinc/46/89/85/575468985.db2.gz PJZGNMVZFLLLDQ-UHFFFAOYSA-N 1 2 259.288 1.461 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]N[C@@H]1CCCCC1(C)C ZINC000773125427 575784894 /nfs/dbraw/zinc/78/48/94/575784894.db2.gz ONQQIVABXULZNT-LLVKDONJSA-N 1 2 277.372 1.960 20 30 CDEDLO C#C[C@H](C)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000773591797 575828507 /nfs/dbraw/zinc/82/85/07/575828507.db2.gz BVQCUXFTHCLVNG-ZDUSSCGKSA-N 1 2 282.347 1.752 20 30 CDEDLO C=C(C[NH+](C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000764625724 575927376 /nfs/dbraw/zinc/92/73/76/575927376.db2.gz XLMCIOHGNBDVCT-UHFFFAOYSA-N 1 2 265.269 1.357 20 30 CDEDLO FC(F)C1CC(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)C1 ZINC000766026080 576072474 /nfs/dbraw/zinc/07/24/74/576072474.db2.gz ZFMMFZDANIROAG-RWBYNWAKSA-N 1 2 256.300 1.878 20 30 CDEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)c1ccnn1C ZINC000766036120 576073616 /nfs/dbraw/zinc/07/36/16/576073616.db2.gz XMOJXNVYJKIUPX-UHFFFAOYSA-N 1 2 282.311 1.232 20 30 CDEDLO C[S@@](=O)CC[NH+]1CCN(Cc2ccc(C#N)s2)CC1 ZINC000769479640 576357589 /nfs/dbraw/zinc/35/75/89/576357589.db2.gz KDEOPSZIFJPHRK-LJQANCHMSA-N 1 2 297.449 1.116 20 30 CDEDLO C[C@@H](CNC(=O)COc1cccc(C#N)c1)Cn1cc[nH+]c1 ZINC000740727492 576511720 /nfs/dbraw/zinc/51/17/20/576511720.db2.gz QPRFRPQHYMUVEF-ZDUSSCGKSA-N 1 2 298.346 1.586 20 30 CDEDLO C[C@H]1CC(N=Nc2ccc(-n3cc[nH+]c3)nn2)CCO1 ZINC000761857747 576598836 /nfs/dbraw/zinc/59/88/36/576598836.db2.gz NEDRLBBFUWXIJO-JTQLQIEISA-N 1 2 272.312 1.629 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)c1cccs1 ZINC000762294795 576637561 /nfs/dbraw/zinc/63/75/61/576637561.db2.gz MCIBYDNNQVCGCP-NSHDSACASA-N 1 2 276.361 1.145 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)c1cccs1 ZINC000762294795 576637563 /nfs/dbraw/zinc/63/75/63/576637563.db2.gz MCIBYDNNQVCGCP-NSHDSACASA-N 1 2 276.361 1.145 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)C[C@H](C)n2nc(C)cc2C)CC1 ZINC000744419199 576679225 /nfs/dbraw/zinc/67/92/25/576679225.db2.gz QRAUATWNWBXIIU-HNNXBMFYSA-N 1 2 288.395 1.228 20 30 CDEDLO COCC#CC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000762925460 576694026 /nfs/dbraw/zinc/69/40/26/576694026.db2.gz GJMVATLJTJYNSR-IRXDYDNUSA-N 1 2 289.375 1.461 20 30 CDEDLO COCC#CC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000762925460 576694027 /nfs/dbraw/zinc/69/40/27/576694027.db2.gz GJMVATLJTJYNSR-IRXDYDNUSA-N 1 2 289.375 1.461 20 30 CDEDLO Cc1noc([C@H](C)O[NH+]=C(N)c2ccc3c(c2)CCO3)n1 ZINC000753829209 576861253 /nfs/dbraw/zinc/86/12/53/576861253.db2.gz HMPNQOXLHWRJHC-QMMMGPOBSA-N 1 2 288.307 1.711 20 30 CDEDLO C#CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000753952746 576869307 /nfs/dbraw/zinc/86/93/07/576869307.db2.gz RTDYVZUEYYLODX-UHFFFAOYSA-N 1 2 263.366 1.947 20 30 CDEDLO C#CCNC(=O)CO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000747834673 576886358 /nfs/dbraw/zinc/88/63/58/576886358.db2.gz NNOFAAJOQHLTLH-UHFFFAOYSA-N 1 2 279.727 1.130 20 30 CDEDLO CCON=Cc1c(-n2cc[nH+]c2)nc2ccccn12 ZINC000755627800 576952863 /nfs/dbraw/zinc/95/28/63/576952863.db2.gz KNFCNFCCGKGOCE-UHFFFAOYSA-N 1 2 255.281 1.890 20 30 CDEDLO Cc1[nH]c[nH+]c1C=NNS(=O)(=O)Cc1ccccc1 ZINC000755661164 576954272 /nfs/dbraw/zinc/95/42/72/576954272.db2.gz FNBHFVLJXASUQC-UHFFFAOYSA-N 1 2 278.337 1.172 20 30 CDEDLO CCCNC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000749778785 576962032 /nfs/dbraw/zinc/96/20/32/576962032.db2.gz MPHOROMMJZWXEE-SECBINFHSA-N 1 2 267.304 1.377 20 30 CDEDLO C[N@H+](C[C@@H]1CCCCO1)Cn1cccc(C#N)c1=O ZINC000758196814 577080354 /nfs/dbraw/zinc/08/03/54/577080354.db2.gz FPEVNVNSLZBFJB-ZDUSSCGKSA-N 1 2 261.325 1.178 20 30 CDEDLO C[N@@H+](C[C@@H]1CCCCO1)Cn1cccc(C#N)c1=O ZINC000758196814 577080356 /nfs/dbraw/zinc/08/03/56/577080356.db2.gz FPEVNVNSLZBFJB-ZDUSSCGKSA-N 1 2 261.325 1.178 20 30 CDEDLO C#CCNC(=S)N1C[C@@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000758256278 577092107 /nfs/dbraw/zinc/09/21/07/577092107.db2.gz IXYVSJZAORKTQM-AWEZNQCLSA-N 1 2 296.399 1.995 20 30 CDEDLO C(=[NH+]Nc1cnccn1)c1ccc(N2CCCC2)nc1 ZINC000758372180 577102790 /nfs/dbraw/zinc/10/27/90/577102790.db2.gz KRKKZXNGKZAYEL-UHFFFAOYSA-N 1 2 268.324 1.918 20 30 CDEDLO Cc1ccc(NC(=O)NCCCC#N)c(N(C)C)[nH+]1 ZINC000752756549 577123828 /nfs/dbraw/zinc/12/38/28/577123828.db2.gz PYEZDXSZMGLEON-UHFFFAOYSA-N 1 2 261.329 1.881 20 30 CDEDLO FC(F)CO[NH+]=Cc1cnc(N2CCCC2)nc1 ZINC000758912007 577140734 /nfs/dbraw/zinc/14/07/34/577140734.db2.gz SLUJHGDIVRISQZ-UHFFFAOYSA-N 1 2 256.256 1.692 20 30 CDEDLO COCC[N@H+](CCC#N)Cc1ccccc1-c1nn[nH]n1 ZINC000821689158 599640350 /nfs/dbraw/zinc/64/03/50/599640350.db2.gz NKAGXCDZXQWGCL-UHFFFAOYSA-N 1 2 286.339 1.229 20 30 CDEDLO COCC[N@@H+](CCC#N)Cc1ccccc1-c1nn[nH]n1 ZINC000821689158 599640351 /nfs/dbraw/zinc/64/03/51/599640351.db2.gz NKAGXCDZXQWGCL-UHFFFAOYSA-N 1 2 286.339 1.229 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(N(C)S(=O)(=O)CC)CC1 ZINC000121243046 617180749 /nfs/dbraw/zinc/18/07/49/617180749.db2.gz UWSRIVGJLLIQEC-UHFFFAOYSA-N 1 2 280.821 1.485 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820219634 606911480 /nfs/dbraw/zinc/91/14/80/606911480.db2.gz HLNVFRMASDPZAP-GXFFZTMASA-N 1 2 286.339 1.134 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820219634 606911481 /nfs/dbraw/zinc/91/14/81/606911481.db2.gz HLNVFRMASDPZAP-GXFFZTMASA-N 1 2 286.339 1.134 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000890654339 617251873 /nfs/dbraw/zinc/25/18/73/617251873.db2.gz BYYOYNXKAVYVIK-BZUAXINKSA-N 1 2 292.423 1.890 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000890654339 617251878 /nfs/dbraw/zinc/25/18/78/617251878.db2.gz BYYOYNXKAVYVIK-BZUAXINKSA-N 1 2 292.423 1.890 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(C(C)C)on2)C1 ZINC000951001878 612991826 /nfs/dbraw/zinc/99/18/26/612991826.db2.gz UDHWHSLMYDEFFK-UHFFFAOYSA-N 1 2 289.379 1.968 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cn(C(C)C)nn2)C1 ZINC000957053843 612992289 /nfs/dbraw/zinc/99/22/89/612992289.db2.gz SNZKFSGIOYRUCD-UHFFFAOYSA-N 1 2 289.383 1.029 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnc(C3CC3)nc2)C1 ZINC000952409028 612993028 /nfs/dbraw/zinc/99/30/28/612993028.db2.gz CDJLUQSNINMGJN-UHFFFAOYSA-N 1 2 298.390 1.524 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2oc(C(C)C)nc2C)CC1 ZINC000982123653 613160436 /nfs/dbraw/zinc/16/04/36/613160436.db2.gz XKZIFMCFYBJYRC-UHFFFAOYSA-N 1 2 289.379 1.888 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2oc(C(C)C)nc2C)CC1 ZINC000982123653 613160439 /nfs/dbraw/zinc/16/04/39/613160439.db2.gz XKZIFMCFYBJYRC-UHFFFAOYSA-N 1 2 289.379 1.888 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CC3CC3)CC2)C1 ZINC000949270378 613210565 /nfs/dbraw/zinc/21/05/65/613210565.db2.gz VTVRHKZGWRFATM-UHFFFAOYSA-N 1 2 276.380 1.113 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CC3CC3)CC2)C1 ZINC000949270378 613210566 /nfs/dbraw/zinc/21/05/66/613210566.db2.gz VTVRHKZGWRFATM-UHFFFAOYSA-N 1 2 276.380 1.113 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC(C)(C)C)C2)C1 ZINC000972250037 613210882 /nfs/dbraw/zinc/21/08/82/613210882.db2.gz SPBJRHUHVXYOMC-INIZCTEOSA-N 1 2 278.396 1.359 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC(C)(C)C)C2)C1 ZINC000972250037 613210883 /nfs/dbraw/zinc/21/08/83/613210883.db2.gz SPBJRHUHVXYOMC-INIZCTEOSA-N 1 2 278.396 1.359 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC=CCC3)C2)C1 ZINC000972256691 613211453 /nfs/dbraw/zinc/21/14/53/613211453.db2.gz OVUXYOBPGVJKRZ-WBVHZDCISA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC=CCC3)C2)C1 ZINC000972256691 613211454 /nfs/dbraw/zinc/21/14/54/613211454.db2.gz OVUXYOBPGVJKRZ-WBVHZDCISA-N 1 2 288.391 1.279 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC1 ZINC000958049202 613236178 /nfs/dbraw/zinc/23/61/78/613236178.db2.gz ZRXVCYUUNTXBPJ-PJXYFTJBSA-N 1 2 299.212 1.742 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC1 ZINC000958049202 613236179 /nfs/dbraw/zinc/23/61/79/613236179.db2.gz ZRXVCYUUNTXBPJ-PJXYFTJBSA-N 1 2 299.212 1.742 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCO[C@@H]2C)C1 ZINC000957043652 613295362 /nfs/dbraw/zinc/29/53/62/613295362.db2.gz FJJURSRCFFFQPU-OCCSQVGLSA-N 1 2 266.385 1.520 20 30 CDEDLO C=C(C)CN1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000949018997 613320453 /nfs/dbraw/zinc/32/04/53/613320453.db2.gz BPARNXUHLYDTCZ-UHFFFAOYSA-N 1 2 292.383 1.070 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(C)n(C)n2)C1 ZINC000969361388 613371730 /nfs/dbraw/zinc/37/17/30/613371730.db2.gz JPVDGWRYXPPWQX-LLVKDONJSA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCCO2)C1 ZINC000969482480 613372103 /nfs/dbraw/zinc/37/21/03/613372103.db2.gz FMXNEFCXNCJODT-AAEUAGOBSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000970456846 613372145 /nfs/dbraw/zinc/37/21/45/613372145.db2.gz GIWQXIYFSPZXPZ-ASEORRQLSA-N 1 2 298.814 1.743 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(=O)[nH]c2)C1 ZINC000970836126 613372444 /nfs/dbraw/zinc/37/24/44/613372444.db2.gz PXLPSGXKFOMUQM-JTQLQIEISA-N 1 2 295.770 1.590 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2C[C@H]2OCC)CC1 ZINC000980748258 613373855 /nfs/dbraw/zinc/37/38/55/613373855.db2.gz GOIIDMQMVBSCDT-QWHCGFSZSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]2OCC)CC1 ZINC000980748258 613373856 /nfs/dbraw/zinc/37/38/56/613373856.db2.gz GOIIDMQMVBSCDT-QWHCGFSZSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccncn2)C1 ZINC000968432146 613375551 /nfs/dbraw/zinc/37/55/51/613375551.db2.gz WKNHWBQJYMIKHX-MFKMUULPSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccncn2)C1 ZINC000968432146 613375552 /nfs/dbraw/zinc/37/55/52/613375552.db2.gz WKNHWBQJYMIKHX-MFKMUULPSA-N 1 2 294.786 1.669 20 30 CDEDLO O=C(NCC#C[C@@H]1CCCCO1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000891124016 617367960 /nfs/dbraw/zinc/36/79/60/617367960.db2.gz HCTGAJOGLHZIGI-HIFRSBDPSA-N 1 2 287.363 1.134 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H](C)n2ccc(C)n2)CC1 ZINC000949638945 613562651 /nfs/dbraw/zinc/56/26/51/613562651.db2.gz HRGUTSIYLLZUJM-OAHLLOKOSA-N 1 2 288.395 1.310 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)C2CC(F)(F)C2)C1 ZINC000949835771 613652994 /nfs/dbraw/zinc/65/29/94/613652994.db2.gz BQBHDECBMCAZLV-UHFFFAOYSA-N 1 2 258.312 1.750 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2Cc3cccnc3C2)C1 ZINC000957329064 613654792 /nfs/dbraw/zinc/65/47/92/613654792.db2.gz RUBMROGHUOEQRJ-CQSZACIVSA-N 1 2 285.391 1.515 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC000950089979 613655434 /nfs/dbraw/zinc/65/54/34/613655434.db2.gz RSZJGNVGGFLMMP-ZDUSSCGKSA-N 1 2 288.395 1.548 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC000950893689 613656917 /nfs/dbraw/zinc/65/69/17/613656917.db2.gz BHJFRHBSJWISDY-UHFFFAOYSA-N 1 2 289.379 1.682 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccc(C)[nH]c2=O)C1 ZINC000952357718 613657321 /nfs/dbraw/zinc/65/73/21/613657321.db2.gz RVJXWMKCJZJUGK-UHFFFAOYSA-N 1 2 275.352 1.428 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2(C(F)(F)F)CC2)CC1 ZINC000950659235 613707038 /nfs/dbraw/zinc/70/70/38/613707038.db2.gz XJSNBGJESMOUFZ-UHFFFAOYSA-N 1 2 262.275 1.659 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2NC(=O)c3ccccc32)CC1 ZINC000952360245 613708841 /nfs/dbraw/zinc/70/88/41/613708841.db2.gz OYPFLITXKLQLKU-HNNXBMFYSA-N 1 2 299.374 1.191 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1 ZINC000957815128 613709217 /nfs/dbraw/zinc/70/92/17/613709217.db2.gz MLBBGOUWMSTCEQ-UHFFFAOYSA-N 1 2 284.363 1.436 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)Oc2cccnc2)CC1 ZINC000950424817 613710577 /nfs/dbraw/zinc/71/05/77/613710577.db2.gz YPVKCOMLSXIBPQ-CYBMUJFWSA-N 1 2 275.352 1.179 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2OCC[C@H]2CC)CC1 ZINC000948858594 613713261 /nfs/dbraw/zinc/71/32/61/613713261.db2.gz LLIHNGUMVOAZRJ-OLZOCXBDSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)n(C(C)(C)C)n2)CC1 ZINC000957671500 613714451 /nfs/dbraw/zinc/71/44/51/613714451.db2.gz PSLRTOBWIYPAOZ-UHFFFAOYSA-N 1 2 290.411 1.890 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(OC)ccc2OC)CC1 ZINC000957604975 613714873 /nfs/dbraw/zinc/71/48/73/613714873.db2.gz ACUMWSSHRQJJFH-UHFFFAOYSA-N 1 2 290.363 1.648 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc3c2OCCO3)CC1 ZINC000948630630 613717007 /nfs/dbraw/zinc/71/70/07/613717007.db2.gz XCDLQGROTCMWCC-UHFFFAOYSA-N 1 2 288.347 1.402 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2[nH]ncc2Br)CC1 ZINC000951791422 613718762 /nfs/dbraw/zinc/71/87/62/613718762.db2.gz UGQBEPSAZXGEEL-UHFFFAOYSA-N 1 2 299.172 1.116 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(CC)CC)C2)C1 ZINC000972274319 613722907 /nfs/dbraw/zinc/72/29/07/613722907.db2.gz ZCEMUSASJLJJCH-INIZCTEOSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(CC)CC)C2)C1 ZINC000972274319 613722909 /nfs/dbraw/zinc/72/29/09/613722909.db2.gz ZCEMUSASJLJJCH-INIZCTEOSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC34CC4)C2)C1 ZINC000972572341 613724241 /nfs/dbraw/zinc/72/42/41/613724241.db2.gz QCZXHLUXLYFDCC-CJNGLKHVSA-N 1 2 276.380 1.276 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC34CC4)C2)C1 ZINC000972572341 613724242 /nfs/dbraw/zinc/72/42/42/613724242.db2.gz QCZXHLUXLYFDCC-CJNGLKHVSA-N 1 2 276.380 1.276 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CCC3)C2)C1 ZINC000972204718 613725199 /nfs/dbraw/zinc/72/51/99/613725199.db2.gz VYSIUVALQBERPI-OAHLLOKOSA-N 1 2 264.369 1.276 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CCC3)C2)C1 ZINC000972204718 613725201 /nfs/dbraw/zinc/72/52/01/613725201.db2.gz VYSIUVALQBERPI-OAHLLOKOSA-N 1 2 264.369 1.276 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccccn3)C2)C1 ZINC000972217288 613726312 /nfs/dbraw/zinc/72/63/12/613726312.db2.gz CDTFKWFHYNGLHJ-MRXNPFEDSA-N 1 2 287.363 1.185 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccccn3)C2)C1 ZINC000972217288 613726316 /nfs/dbraw/zinc/72/63/16/613726316.db2.gz CDTFKWFHYNGLHJ-MRXNPFEDSA-N 1 2 287.363 1.185 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC000972512888 613726714 /nfs/dbraw/zinc/72/67/14/613726714.db2.gz AHAKCOJYHBDCDX-WBTNSWJXSA-N 1 2 290.407 1.522 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC000972512888 613726716 /nfs/dbraw/zinc/72/67/16/613726716.db2.gz AHAKCOJYHBDCDX-WBTNSWJXSA-N 1 2 290.407 1.522 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccoc3C)C2)C1 ZINC000972252374 613727289 /nfs/dbraw/zinc/72/72/89/613727289.db2.gz FIKNQTCKRDDIDX-MRXNPFEDSA-N 1 2 290.363 1.691 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccoc3C)C2)C1 ZINC000972252374 613727290 /nfs/dbraw/zinc/72/72/90/613727290.db2.gz FIKNQTCKRDDIDX-MRXNPFEDSA-N 1 2 290.363 1.691 20 30 CDEDLO CC(C)(C)OC(=O)NC[C@@](C)(O)C[N@@H+]1CCC[C@H](C#N)C1 ZINC000932155028 617955610 /nfs/dbraw/zinc/95/56/10/617955610.db2.gz VMOXRDSUDTUVKC-IUODEOHRSA-N 1 2 297.399 1.498 20 30 CDEDLO CC(C)(C)OC(=O)NC[C@@](C)(O)C[N@H+]1CCC[C@H](C#N)C1 ZINC000932155028 617955617 /nfs/dbraw/zinc/95/56/17/617955617.db2.gz VMOXRDSUDTUVKC-IUODEOHRSA-N 1 2 297.399 1.498 20 30 CDEDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1csc(C#N)c1)CCO2 ZINC000894140416 618618348 /nfs/dbraw/zinc/61/83/48/618618348.db2.gz BWVPYGKHTPSERG-BXUZGUMPSA-N 1 2 278.377 2.000 20 30 CDEDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1csc(C#N)c1)CCO2 ZINC000894140416 618618351 /nfs/dbraw/zinc/61/83/51/618618351.db2.gz BWVPYGKHTPSERG-BXUZGUMPSA-N 1 2 278.377 2.000 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895078273 619267194 /nfs/dbraw/zinc/26/71/94/619267194.db2.gz GSQSSHYSGYZIGV-CYBMUJFWSA-N 1 2 268.263 1.521 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895078273 619267197 /nfs/dbraw/zinc/26/71/97/619267197.db2.gz GSQSSHYSGYZIGV-CYBMUJFWSA-N 1 2 268.263 1.521 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2cn3cc(Cl)ccc3n2)CCCN1O ZINC000895165528 619393976 /nfs/dbraw/zinc/39/39/76/619393976.db2.gz LPIULXIMMKFQGS-NSHDSACASA-N 1 2 294.742 1.458 20 30 CDEDLO O=C1[C@@H]([NH2+]Cc2cc(F)ccc2F)CCCN1O ZINC000895166588 619397222 /nfs/dbraw/zinc/39/72/22/619397222.db2.gz SAVBBOWOKYLZKL-NSHDSACASA-N 1 2 256.252 1.435 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896557803 620146859 /nfs/dbraw/zinc/14/68/59/620146859.db2.gz VZSAEFGCBHVYSB-HIFRSBDPSA-N 1 2 279.428 1.505 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896557803 620146861 /nfs/dbraw/zinc/14/68/61/620146861.db2.gz VZSAEFGCBHVYSB-HIFRSBDPSA-N 1 2 279.428 1.505 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000899220304 622108113 /nfs/dbraw/zinc/10/81/13/622108113.db2.gz JLRBKFHNPDRVHB-IHRRRGAJSA-N 1 2 284.375 1.518 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000899220304 622108116 /nfs/dbraw/zinc/10/81/16/622108116.db2.gz JLRBKFHNPDRVHB-IHRRRGAJSA-N 1 2 284.375 1.518 20 30 CDEDLO COc1ccc(CC(N)=[NH+]OCc2ccon2)cc1 ZINC000156952833 630578213 /nfs/dbraw/zinc/57/82/13/630578213.db2.gz WMTLQYZONUNLEK-UHFFFAOYSA-N 1 2 261.281 1.715 20 30 CDEDLO N#CC[C@@H](O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000809577150 1163039175 /nfs/dbraw/zinc/03/91/75/1163039175.db2.gz WETYGMQXUMIZCR-GDBMZVCRSA-N 1 2 272.348 1.435 20 30 CDEDLO N#CC[C@@H](O)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000809577150 1163039182 /nfs/dbraw/zinc/03/91/82/1163039182.db2.gz WETYGMQXUMIZCR-GDBMZVCRSA-N 1 2 272.348 1.435 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132058289 1163157260 /nfs/dbraw/zinc/15/72/60/1163157260.db2.gz XOFVOSRQLSYZCV-GXTWGEPZSA-N 1 2 293.411 1.209 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001132058289 1163157267 /nfs/dbraw/zinc/15/72/67/1163157267.db2.gz XOFVOSRQLSYZCV-GXTWGEPZSA-N 1 2 293.411 1.209 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCOc2ccccc2)CC1 ZINC000243562475 1161937813 /nfs/dbraw/zinc/93/78/13/1161937813.db2.gz OMVGXNPVAIWCHJ-UHFFFAOYSA-N 1 2 274.364 1.786 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1OC ZINC001590420275 1173401813 /nfs/dbraw/zinc/40/18/13/1173401813.db2.gz VMWZYMQFFGNEKF-GFCCVEGCSA-N 1 2 286.339 1.657 20 30 CDEDLO C=CCC1(O)C[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001602822551 1175418749 /nfs/dbraw/zinc/41/87/49/1175418749.db2.gz BIIPBFLVOMWSEN-UHFFFAOYSA-N 1 2 289.314 1.129 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC001602983974 1175471857 /nfs/dbraw/zinc/47/18/57/1175471857.db2.gz QBYWYDDMMRPYPX-LLVKDONJSA-N 1 2 286.339 1.337 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC001602983974 1175471861 /nfs/dbraw/zinc/47/18/61/1175471861.db2.gz QBYWYDDMMRPYPX-LLVKDONJSA-N 1 2 286.339 1.337 20 30 CDEDLO C[C@@]1(C#N)CC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001603736236 1175611203 /nfs/dbraw/zinc/61/12/03/1175611203.db2.gz IDRANHKJBLWSDJ-HNNXBMFYSA-N 1 2 298.350 1.481 20 30 CDEDLO C[C@@]1(C#N)CC[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001603736236 1175611207 /nfs/dbraw/zinc/61/12/07/1175611207.db2.gz IDRANHKJBLWSDJ-HNNXBMFYSA-N 1 2 298.350 1.481 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc[nH]c(=O)c1 ZINC001713449188 1178567845 /nfs/dbraw/zinc/56/78/45/1178567845.db2.gz MZHZHUXIYHIIRE-UHFFFAOYSA-N 1 2 269.732 1.201 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc[nH]c(=O)c1 ZINC001713449188 1178567847 /nfs/dbraw/zinc/56/78/47/1178567847.db2.gz MZHZHUXIYHIIRE-UHFFFAOYSA-N 1 2 269.732 1.201 20 30 CDEDLO C[C@H](C#N)C(=O)NCCC[N@H+](C)Cc1coc(C2CC2)n1 ZINC001751952882 1184797070 /nfs/dbraw/zinc/79/70/70/1184797070.db2.gz OAIHKMPOAFIUTA-LLVKDONJSA-N 1 2 290.367 1.650 20 30 CDEDLO C[C@H](C#N)C(=O)NCCC[N@@H+](C)Cc1coc(C2CC2)n1 ZINC001751952882 1184797075 /nfs/dbraw/zinc/79/70/75/1184797075.db2.gz OAIHKMPOAFIUTA-LLVKDONJSA-N 1 2 290.367 1.650 20 30 CDEDLO Cc1nc(C[N@@H+](C)CCCNC(=O)C#CC(C)C)co1 ZINC001751972240 1184802174 /nfs/dbraw/zinc/80/21/74/1184802174.db2.gz AWTRIVQQRJDYJA-UHFFFAOYSA-N 1 2 277.368 1.581 20 30 CDEDLO Cc1nc(C[N@H+](C)CCCNC(=O)C#CC(C)C)co1 ZINC001751972240 1184802180 /nfs/dbraw/zinc/80/21/80/1184802180.db2.gz AWTRIVQQRJDYJA-UHFFFAOYSA-N 1 2 277.368 1.581 20 30 CDEDLO C#CCC[NH2+][C@H](CNC(=O)C(F)C(F)(F)F)C1CC1 ZINC001752462296 1184866575 /nfs/dbraw/zinc/86/65/75/1184866575.db2.gz CLGAWWFNRYBHMC-NXEZZACHSA-N 1 2 280.265 1.395 20 30 CDEDLO C#CCC[NH2+][C@H](CNC(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC001752462296 1184866580 /nfs/dbraw/zinc/86/65/80/1184866580.db2.gz CLGAWWFNRYBHMC-NXEZZACHSA-N 1 2 280.265 1.395 20 30 CDEDLO CN(CC#N)C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001752508616 1184873438 /nfs/dbraw/zinc/87/34/38/1184873438.db2.gz XAOFKJNZLFKCCX-ZDUSSCGKSA-N 1 2 289.383 1.036 20 30 CDEDLO C=CCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cnnn1C ZINC001752818254 1184922608 /nfs/dbraw/zinc/92/26/08/1184922608.db2.gz ZBHZGISWLNHXCR-CYBMUJFWSA-N 1 2 291.399 1.252 20 30 CDEDLO C=CCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cnnn1C ZINC001752818254 1184922615 /nfs/dbraw/zinc/92/26/15/1184922615.db2.gz ZBHZGISWLNHXCR-CYBMUJFWSA-N 1 2 291.399 1.252 20 30 CDEDLO Cc1nnc(C[NH2+][C@H](C)CNC(=O)C#CC(C)(C)C)o1 ZINC001752870065 1184942436 /nfs/dbraw/zinc/94/24/36/1184942436.db2.gz QCERYUXOKVLCOP-SNVBAGLBSA-N 1 2 278.356 1.022 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[N@@H+](C)Cc2cc(C)no2)cn1 ZINC001753071410 1185038648 /nfs/dbraw/zinc/03/86/48/1185038648.db2.gz LVKHUMRWYFOHIL-UHFFFAOYSA-N 1 2 298.346 1.221 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[N@H+](C)Cc2cc(C)no2)cn1 ZINC001753071410 1185038654 /nfs/dbraw/zinc/03/86/54/1185038654.db2.gz LVKHUMRWYFOHIL-UHFFFAOYSA-N 1 2 298.346 1.221 20 30 CDEDLO O=C(C#CC1CC1)NCC[N@H+](Cc1ccns1)C1CC1 ZINC001753152928 1185089105 /nfs/dbraw/zinc/08/91/05/1185089105.db2.gz JPSLETUGBCEDHP-UHFFFAOYSA-N 1 2 289.404 1.637 20 30 CDEDLO O=C(C#CC1CC1)NCC[N@@H+](Cc1ccns1)C1CC1 ZINC001753152928 1185089110 /nfs/dbraw/zinc/08/91/10/1185089110.db2.gz JPSLETUGBCEDHP-UHFFFAOYSA-N 1 2 289.404 1.637 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N(C)CC[NH2+]Cc1nnc(C)o1 ZINC001753222109 1185121657 /nfs/dbraw/zinc/12/16/57/1185121657.db2.gz NEACSMSFEBAHFU-LBPRGKRZSA-N 1 2 280.372 1.528 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N(C)CC[NH2+]Cc1nc(C)no1 ZINC001753228453 1185124889 /nfs/dbraw/zinc/12/48/89/1185124889.db2.gz WFNQLXCICPQLCW-AWEZNQCLSA-N 1 2 280.372 1.528 20 30 CDEDLO CC[C@@H](C)[C@H](C)C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001753344603 1185162258 /nfs/dbraw/zinc/16/22/58/1185162258.db2.gz LTGCJWPFCRMGTJ-CABCVRRESA-N 1 2 294.443 1.268 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)CC[C@@H]2CC[C@H](C)O2)C1 ZINC001753400486 1185187991 /nfs/dbraw/zinc/18/79/91/1185187991.db2.gz ZSIOWDDJOWONSE-AAEUAGOBSA-N 1 2 252.358 1.321 20 30 CDEDLO C#CCCCCC(=O)NC[C@H]1CC[N@H+]1Cc1ccnn1C ZINC001754480806 1185636434 /nfs/dbraw/zinc/63/64/34/1185636434.db2.gz MIILJEIUPFBNGC-CQSZACIVSA-N 1 2 288.395 1.304 20 30 CDEDLO C#CCCCCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccnn1C ZINC001754480806 1185636436 /nfs/dbraw/zinc/63/64/36/1185636436.db2.gz MIILJEIUPFBNGC-CQSZACIVSA-N 1 2 288.395 1.304 20 30 CDEDLO C=CCCCC(=O)NC[C@@H]1CC[N@H+]1Cc1cn(C)nc1C ZINC001754492145 1185639762 /nfs/dbraw/zinc/63/97/62/1185639762.db2.gz WVIGTGOXRNDJQY-HNNXBMFYSA-N 1 2 290.411 1.775 20 30 CDEDLO C=CCCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1cn(C)nc1C ZINC001754492145 1185639765 /nfs/dbraw/zinc/63/97/65/1185639765.db2.gz WVIGTGOXRNDJQY-HNNXBMFYSA-N 1 2 290.411 1.775 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)C1CCCC1 ZINC001754499106 1185644378 /nfs/dbraw/zinc/64/43/78/1185644378.db2.gz BKGPTXWUQPCUJZ-ZBFHGGJFSA-N 1 2 292.423 1.653 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)C1CCCC1 ZINC001754499106 1185644381 /nfs/dbraw/zinc/64/43/81/1185644381.db2.gz BKGPTXWUQPCUJZ-ZBFHGGJFSA-N 1 2 292.423 1.653 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)c2coc(CC)n2)C1 ZINC001754573428 1185671174 /nfs/dbraw/zinc/67/11/74/1185671174.db2.gz MYVUKUWFMNOZRR-UHFFFAOYSA-N 1 2 293.367 1.196 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H](C)[C@@H]2CCCO2)C1 ZINC001754585862 1185674769 /nfs/dbraw/zinc/67/47/69/1185674769.db2.gz FTDPOWYFNJXPBA-ZFWWWQNUSA-N 1 2 280.412 1.910 20 30 CDEDLO C#CCC[NH2+]C[C@]1(C)CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001754696256 1185709193 /nfs/dbraw/zinc/70/91/93/1185709193.db2.gz USPSAIAJITTXLG-PWSUYJOCSA-N 1 2 294.292 1.738 20 30 CDEDLO C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001754696256 1185709197 /nfs/dbraw/zinc/70/91/97/1185709197.db2.gz USPSAIAJITTXLG-PWSUYJOCSA-N 1 2 294.292 1.738 20 30 CDEDLO C#CC[N@@H+](Cc1cc(Br)nn1C)C1CC1 ZINC000787273570 790285617 /nfs/dbraw/zinc/28/56/17/790285617.db2.gz FXGYKZTWVLTVQX-UHFFFAOYSA-N 1 2 268.158 1.780 20 30 CDEDLO C#CC[N@H+](Cc1cc(Br)nn1C)C1CC1 ZINC000787273570 790285623 /nfs/dbraw/zinc/28/56/23/790285623.db2.gz FXGYKZTWVLTVQX-UHFFFAOYSA-N 1 2 268.158 1.780 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2[nH]ccc21 ZINC001038728805 790290569 /nfs/dbraw/zinc/29/05/69/790290569.db2.gz UKZHWMLLSNHAHN-LBPRGKRZSA-N 1 2 267.332 1.605 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2[nH]ccc21 ZINC001038728805 790290580 /nfs/dbraw/zinc/29/05/80/790290580.db2.gz UKZHWMLLSNHAHN-LBPRGKRZSA-N 1 2 267.332 1.605 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccoc2Cl)C1 ZINC001035349200 790371438 /nfs/dbraw/zinc/37/14/38/790371438.db2.gz FOJUXOJUPANEPT-NSHDSACASA-N 1 2 296.754 1.387 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccoc2Cl)C1 ZINC001035349200 790371453 /nfs/dbraw/zinc/37/14/53/790371453.db2.gz FOJUXOJUPANEPT-NSHDSACASA-N 1 2 296.754 1.387 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2cc(C3CC3)on2)C1 ZINC001030755954 790377637 /nfs/dbraw/zinc/37/76/37/790377637.db2.gz JBHFBNIDCILZFV-UHFFFAOYSA-N 1 2 261.325 1.542 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccoc2)C1 ZINC001035280947 790527531 /nfs/dbraw/zinc/52/75/31/790527531.db2.gz HXIRPHUVZBNYEF-ZDUSSCGKSA-N 1 2 264.325 1.286 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccoc2)C1 ZINC001035280947 790527550 /nfs/dbraw/zinc/52/75/50/790527550.db2.gz HXIRPHUVZBNYEF-ZDUSSCGKSA-N 1 2 264.325 1.286 20 30 CDEDLO C[C@@H]1C[C@H](C)C[N@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794635937 790560590 /nfs/dbraw/zinc/56/05/90/790560590.db2.gz YONIGAIGFTWAGY-VHSXEESVSA-N 1 2 265.386 1.705 20 30 CDEDLO C[C@@H]1C[C@H](C)C[N@@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794635937 790560640 /nfs/dbraw/zinc/56/06/40/790560640.db2.gz YONIGAIGFTWAGY-VHSXEESVSA-N 1 2 265.386 1.705 20 30 CDEDLO CCCS(=O)(=O)CC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397657173 790601713 /nfs/dbraw/zinc/60/17/13/790601713.db2.gz NANLMGRLGXIWOK-GFCCVEGCSA-N 1 2 258.387 1.437 20 30 CDEDLO CCCS(=O)(=O)CC[N@H+]1CCC[C@H](CC#N)C1 ZINC000397657173 790601715 /nfs/dbraw/zinc/60/17/15/790601715.db2.gz NANLMGRLGXIWOK-GFCCVEGCSA-N 1 2 258.387 1.437 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cncc(COC)c2)C1 ZINC001042956653 790603008 /nfs/dbraw/zinc/60/30/08/790603008.db2.gz NBKKPWDKLJDEBM-UHFFFAOYSA-N 1 2 289.379 1.560 20 30 CDEDLO C=CC[N@@H+](CCc1ccco1)CN1C[C@H](OC)CC1=O ZINC000787230493 790607445 /nfs/dbraw/zinc/60/74/45/790607445.db2.gz VLUAYZQDRQCISV-CQSZACIVSA-N 1 2 278.352 1.515 20 30 CDEDLO C=CC[N@H+](CCc1ccco1)CN1C[C@H](OC)CC1=O ZINC000787230493 790607460 /nfs/dbraw/zinc/60/74/60/790607460.db2.gz VLUAYZQDRQCISV-CQSZACIVSA-N 1 2 278.352 1.515 20 30 CDEDLO Cc1nc(C#N)cc(N2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000881916257 790709609 /nfs/dbraw/zinc/70/96/09/790709609.db2.gz LTPJSVPXBKZTTE-ZDUSSCGKSA-N 1 2 268.324 1.695 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1CCO[C@H](COCC)C1 ZINC000862502016 790749027 /nfs/dbraw/zinc/74/90/27/790749027.db2.gz ZRBUBMPDHKXWAJ-INIZCTEOSA-N 1 2 289.375 1.936 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1CCO[C@H](COCC)C1 ZINC000862502016 790749058 /nfs/dbraw/zinc/74/90/58/790749058.db2.gz ZRBUBMPDHKXWAJ-INIZCTEOSA-N 1 2 289.375 1.936 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(CCC)n[nH]1 ZINC001038577561 790821012 /nfs/dbraw/zinc/82/10/12/790821012.db2.gz ZZINUAKBQQRALZ-CYBMUJFWSA-N 1 2 274.368 1.190 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(CCC)n[nH]1 ZINC001038577561 790821016 /nfs/dbraw/zinc/82/10/16/790821016.db2.gz ZZINUAKBQQRALZ-CYBMUJFWSA-N 1 2 274.368 1.190 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1CCC1 ZINC001054029199 790822416 /nfs/dbraw/zinc/82/24/16/790822416.db2.gz HRSUEGANOOMMLK-QGZVFWFLSA-N 1 2 282.387 1.963 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1CCC1 ZINC001054029199 790822417 /nfs/dbraw/zinc/82/24/17/790822417.db2.gz HRSUEGANOOMMLK-QGZVFWFLSA-N 1 2 282.387 1.963 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc2[nH]ccc21 ZINC001032499195 790827612 /nfs/dbraw/zinc/82/76/12/790827612.db2.gz PZCLDTFRRFYRKU-STQMWFEESA-N 1 2 294.358 1.485 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncc2[nH]ccc21 ZINC001032499195 790827613 /nfs/dbraw/zinc/82/76/13/790827613.db2.gz PZCLDTFRRFYRKU-STQMWFEESA-N 1 2 294.358 1.485 20 30 CDEDLO C#Cc1cccc(CNC(=O)CCc2c[nH+]cn2C)c1 ZINC000837107005 790841455 /nfs/dbraw/zinc/84/14/55/790841455.db2.gz DONAMVXEAVTGJO-UHFFFAOYSA-N 1 2 267.332 1.650 20 30 CDEDLO C=C(Br)CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000787211953 790855583 /nfs/dbraw/zinc/85/55/83/790855583.db2.gz VLXQRESFNDEEOS-SNVBAGLBSA-N 1 2 273.174 1.638 20 30 CDEDLO C=C(Br)CNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000787211953 790855585 /nfs/dbraw/zinc/85/55/85/790855585.db2.gz VLXQRESFNDEEOS-SNVBAGLBSA-N 1 2 273.174 1.638 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001033921730 790858746 /nfs/dbraw/zinc/85/87/46/790858746.db2.gz FAEGQFJQALYOIS-MQYQWHSLSA-N 1 2 298.814 1.554 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001033921730 790858748 /nfs/dbraw/zinc/85/87/48/790858748.db2.gz FAEGQFJQALYOIS-MQYQWHSLSA-N 1 2 298.814 1.554 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2coc(C3CCC3)n2)C1 ZINC001031224944 790868528 /nfs/dbraw/zinc/86/85/28/790868528.db2.gz WDRHFIBYVZAEJD-UHFFFAOYSA-N 1 2 275.352 1.932 20 30 CDEDLO C#CCC(C)(C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000855410749 790863485 /nfs/dbraw/zinc/86/34/85/790863485.db2.gz LNUURJSFCUDMOZ-QWHCGFSZSA-N 1 2 266.385 1.261 20 30 CDEDLO C#CCC(C)(C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000855410749 790863486 /nfs/dbraw/zinc/86/34/86/790863486.db2.gz LNUURJSFCUDMOZ-QWHCGFSZSA-N 1 2 266.385 1.261 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)n1c(C)ccc1C ZINC001018304146 790896493 /nfs/dbraw/zinc/89/64/93/790896493.db2.gz SKJLRFUDNKEYSL-ZACQAIPSSA-N 1 2 299.418 1.974 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)n1c(C)ccc1C ZINC001018304146 790896494 /nfs/dbraw/zinc/89/64/94/790896494.db2.gz SKJLRFUDNKEYSL-ZACQAIPSSA-N 1 2 299.418 1.974 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCO1 ZINC001039325154 790975187 /nfs/dbraw/zinc/97/51/87/790975187.db2.gz ILNGOXYTRRNYLB-RDBSUJKOSA-N 1 2 298.814 1.983 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCO1 ZINC001039325154 790975210 /nfs/dbraw/zinc/97/52/10/790975210.db2.gz ILNGOXYTRRNYLB-RDBSUJKOSA-N 1 2 298.814 1.983 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2cnc(C)s2)CC1 ZINC000112920638 791023500 /nfs/dbraw/zinc/02/35/00/791023500.db2.gz LLRVIMSBCHNJKW-SNAWJCMRSA-N 1 2 275.377 1.242 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2Cc3cccnc3C2)C1 ZINC001044230769 791024255 /nfs/dbraw/zinc/02/42/55/791024255.db2.gz GIFQQJDQNRKXDG-CYBMUJFWSA-N 1 2 271.364 1.125 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1C=CC=CC=C1)CO2 ZINC001053819920 791032818 /nfs/dbraw/zinc/03/28/18/791032818.db2.gz MVFKQRPILVSVIK-INIZCTEOSA-N 1 2 298.386 1.268 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2nn(C)cc2Cl)C1 ZINC001042780656 791033912 /nfs/dbraw/zinc/03/39/12/791033912.db2.gz OZFYIKOFQRBNQM-UHFFFAOYSA-N 1 2 282.775 1.406 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c3c(nn2C)CCCC3)C1 ZINC001030377359 791047736 /nfs/dbraw/zinc/04/77/36/791047736.db2.gz ZNIQYNMGGJCCEA-UHFFFAOYSA-N 1 2 288.395 1.289 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(C(C)C)n1 ZINC001032684804 791063158 /nfs/dbraw/zinc/06/31/58/791063158.db2.gz HXNNCEYCODNIDG-RYUDHWBXSA-N 1 2 289.404 1.798 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(C(C)C)n1 ZINC001032684804 791063172 /nfs/dbraw/zinc/06/31/72/791063172.db2.gz HXNNCEYCODNIDG-RYUDHWBXSA-N 1 2 289.404 1.798 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc3cccn3cn2)C1 ZINC001043049469 791082972 /nfs/dbraw/zinc/08/29/72/791082972.db2.gz RJXJGVWQNQHXCR-UHFFFAOYSA-N 1 2 284.363 1.667 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@H]3CCCCO3)C2)cc1 ZINC001030775684 791102019 /nfs/dbraw/zinc/10/20/19/791102019.db2.gz WHUOGVJRZBSXTG-QGZVFWFLSA-N 1 2 298.386 1.651 20 30 CDEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C(C)(C)CC)C2)CC1 ZINC001052070642 791104434 /nfs/dbraw/zinc/10/44/34/791104434.db2.gz KORGRIKBXRZTPV-HNNXBMFYSA-N 1 2 291.439 1.274 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(C)nc2)CC1 ZINC000846962381 791113016 /nfs/dbraw/zinc/11/30/16/791113016.db2.gz ZKHZZGGVKNYDRI-UHFFFAOYSA-N 1 2 273.336 1.669 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(F)c(F)c2F)C1 ZINC001030871140 791123947 /nfs/dbraw/zinc/12/39/47/791123947.db2.gz ZJKXQOJDCXSWRM-UHFFFAOYSA-N 1 2 282.265 1.541 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)cc(O)c1 ZINC000863619738 791140260 /nfs/dbraw/zinc/14/02/60/791140260.db2.gz LBNATFLILRMDGH-AWEZNQCLSA-N 1 2 258.321 1.737 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)cc(O)c1 ZINC000863619738 791140268 /nfs/dbraw/zinc/14/02/68/791140268.db2.gz LBNATFLILRMDGH-AWEZNQCLSA-N 1 2 258.321 1.737 20 30 CDEDLO CC[C@@H](O)CNN=C(C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000811654200 791150166 /nfs/dbraw/zinc/15/01/66/791150166.db2.gz UIKURXSUVZTMMD-OAHLLOKOSA-N 1 2 272.352 1.957 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1N(C)C ZINC001032814372 789870104 /nfs/dbraw/zinc/87/01/04/789870104.db2.gz LRGNOOOPBLYUQU-GJZGRUSLSA-N 1 2 297.402 1.675 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1N(C)C ZINC001032814372 789870105 /nfs/dbraw/zinc/87/01/05/789870105.db2.gz LRGNOOOPBLYUQU-GJZGRUSLSA-N 1 2 297.402 1.675 20 30 CDEDLO CCn1ncnc1CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000853680121 789880011 /nfs/dbraw/zinc/88/00/11/789880011.db2.gz YMUZLOWZVBUTAH-UHFFFAOYSA-N 1 2 287.323 1.070 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1OCC[C@H]1CC ZINC001017628701 789882371 /nfs/dbraw/zinc/88/23/71/789882371.db2.gz HVJCJHLSUYWCEH-WCVJEAGWSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1OCC[C@H]1CC ZINC001017628701 789882372 /nfs/dbraw/zinc/88/23/72/789882372.db2.gz HVJCJHLSUYWCEH-WCVJEAGWSA-N 1 2 290.407 1.500 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1scnc1C ZINC001017380438 789884814 /nfs/dbraw/zinc/88/48/14/789884814.db2.gz VVDAVKSGUKCEGA-TXEJJXNPSA-N 1 2 277.393 1.926 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1scnc1C ZINC001017380438 789884817 /nfs/dbraw/zinc/88/48/17/789884817.db2.gz VVDAVKSGUKCEGA-TXEJJXNPSA-N 1 2 277.393 1.926 20 30 CDEDLO C=CC(C)(C)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000837863960 789928296 /nfs/dbraw/zinc/92/82/96/789928296.db2.gz JHSFOUDSCAWNMK-TXEJJXNPSA-N 1 2 253.342 1.605 20 30 CDEDLO C=CC(C)(C)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000837863960 789928300 /nfs/dbraw/zinc/92/83/00/789928300.db2.gz JHSFOUDSCAWNMK-TXEJJXNPSA-N 1 2 253.342 1.605 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@H]3CC[C@H](C)O3)C2)cc1 ZINC001030776835 789948702 /nfs/dbraw/zinc/94/87/02/789948702.db2.gz CLQUWGBOIIHBAA-SUMWQHHRSA-N 1 2 298.386 1.649 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2oc(C)nc2C)C1 ZINC001042570878 789951522 /nfs/dbraw/zinc/95/15/22/789951522.db2.gz OUSABHWWCVLITI-UHFFFAOYSA-N 1 2 261.325 1.071 20 30 CDEDLO N#CCN1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001015938694 789966173 /nfs/dbraw/zinc/96/61/73/789966173.db2.gz PHILHVVDQYVKFP-CQSZACIVSA-N 1 2 295.346 1.200 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001031040036 789977786 /nfs/dbraw/zinc/97/77/86/789977786.db2.gz MFFXQENEHFJENU-UHFFFAOYSA-N 1 2 274.368 1.138 20 30 CDEDLO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ncnn2C)c1 ZINC000877047184 790027888 /nfs/dbraw/zinc/02/78/88/790027888.db2.gz YWAIOFFZZKPQFL-CYBMUJFWSA-N 1 2 285.351 1.786 20 30 CDEDLO OC1CCN(c2ccc(C=[NH+]Nc3cncnc3)cc2)CC1 ZINC000853343790 790052910 /nfs/dbraw/zinc/05/29/10/790052910.db2.gz SKUGHCRCPFGYJC-UHFFFAOYSA-N 1 2 297.362 1.884 20 30 CDEDLO CC(C)O[NH+]=Cc1cnc(N2CCOCC2)s1 ZINC000835001404 790079190 /nfs/dbraw/zinc/07/91/90/790079190.db2.gz XLRHGLUEOSVWPK-UHFFFAOYSA-N 1 2 255.343 1.739 20 30 CDEDLO CC[C@@H](F)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC001017424104 790079852 /nfs/dbraw/zinc/07/98/52/790079852.db2.gz ZTJXCDWWSHLSQP-QNWHQSFQSA-N 1 2 267.348 1.569 20 30 CDEDLO CC[C@@H](F)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC001017424104 790079859 /nfs/dbraw/zinc/07/98/59/790079859.db2.gz ZTJXCDWWSHLSQP-QNWHQSFQSA-N 1 2 267.348 1.569 20 30 CDEDLO COC(=O)c1coc(CO[NH+]=C(N)c2ccccc2)c1 ZINC000171027693 790226725 /nfs/dbraw/zinc/22/67/25/790226725.db2.gz IJYRQXIYTYNJFJ-UHFFFAOYSA-N 1 2 274.276 1.903 20 30 CDEDLO N#CCC1(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000797564643 790244493 /nfs/dbraw/zinc/24/44/93/790244493.db2.gz UQEXBXWXPLRKQE-UHFFFAOYSA-N 1 2 299.378 1.607 20 30 CDEDLO C#CC1(F)CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000883191533 790258742 /nfs/dbraw/zinc/25/87/42/790258742.db2.gz CXHSNHXVPJWTND-UHFFFAOYSA-N 1 2 298.321 1.739 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)/C(C)=C/C)CCO2 ZINC001053208291 791185204 /nfs/dbraw/zinc/18/52/04/791185204.db2.gz JBHKVZQSKGIXAA-WLRTZDKTSA-N 1 2 264.369 1.442 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCCC[C@H]1C[NH2+]Cc1csnn1 ZINC000959922546 791209932 /nfs/dbraw/zinc/20/99/32/791209932.db2.gz CJUFJLMVDCWEMR-PWSUYJOCSA-N 1 2 293.396 1.168 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cccc(C#N)c1 ZINC000874700417 791209970 /nfs/dbraw/zinc/20/99/70/791209970.db2.gz ZVFOZTQSVQZGAA-HNNXBMFYSA-N 1 2 287.363 1.399 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cccc(C#N)c1 ZINC000874700417 791209978 /nfs/dbraw/zinc/20/99/78/791209978.db2.gz ZVFOZTQSVQZGAA-HNNXBMFYSA-N 1 2 287.363 1.399 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cn(CCCC)nc2C)C1 ZINC001031230212 791295908 /nfs/dbraw/zinc/29/59/08/791295908.db2.gz DDYWGJZBJOQDPW-UHFFFAOYSA-N 1 2 290.411 1.982 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H]2OCCc3ccccc32)C1 ZINC001043505883 791296188 /nfs/dbraw/zinc/29/61/88/791296188.db2.gz IOBYHPKUEKSWEF-KRWDZBQOSA-N 1 2 298.386 1.466 20 30 CDEDLO CCOC(=O)C(C)(C)[NH2+]C[C@H](O)CC1(C#N)CCC1 ZINC000885983515 791364827 /nfs/dbraw/zinc/36/48/27/791364827.db2.gz ILNZNFOGDSOIRH-LLVKDONJSA-N 1 2 268.357 1.363 20 30 CDEDLO CC[C@]1(C)CC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853523773 791371181 /nfs/dbraw/zinc/37/11/81/791371181.db2.gz GSTHXJUHOMZBBN-SWLSCSKDSA-N 1 2 277.368 1.745 20 30 CDEDLO CC[C@]1(C)CC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853523773 791371187 /nfs/dbraw/zinc/37/11/87/791371187.db2.gz GSTHXJUHOMZBBN-SWLSCSKDSA-N 1 2 277.368 1.745 20 30 CDEDLO Cc1nn(C)c(N)c1C=[NH+]Nc1ccc([N+](=O)[O-])cc1C ZINC000814931614 791393767 /nfs/dbraw/zinc/39/37/67/791393767.db2.gz ZDBFKVPLQJSNDN-UHFFFAOYSA-N 1 2 288.311 1.973 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCCO2)c1 ZINC001038023890 791409207 /nfs/dbraw/zinc/40/92/07/791409207.db2.gz CONAYTIXCGBOGM-CVEARBPZSA-N 1 2 299.374 1.428 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCCO2)c1 ZINC001038023890 791409217 /nfs/dbraw/zinc/40/92/17/791409217.db2.gz CONAYTIXCGBOGM-CVEARBPZSA-N 1 2 299.374 1.428 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC000842883408 791415202 /nfs/dbraw/zinc/41/52/02/791415202.db2.gz HUFVKTBYDUOKDA-KGLIPLIRSA-N 1 2 288.347 1.652 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2cccnc2C)CC1 ZINC000930640135 791430997 /nfs/dbraw/zinc/43/09/97/791430997.db2.gz SRBVYLBDBDMJLQ-UHFFFAOYSA-N 1 2 273.336 1.669 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](OC)C3CC3)[C@@H]2C1 ZINC001075745903 791438080 /nfs/dbraw/zinc/43/80/80/791438080.db2.gz XXTZBNZMWIIRPG-BFHYXJOUSA-N 1 2 298.814 1.697 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](OC)C3CC3)[C@@H]2C1 ZINC001075745903 791438087 /nfs/dbraw/zinc/43/80/87/791438087.db2.gz XXTZBNZMWIIRPG-BFHYXJOUSA-N 1 2 298.814 1.697 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC001006881954 791440434 /nfs/dbraw/zinc/44/04/34/791440434.db2.gz OJOQCIBDQLLXTR-CHWSQXEVSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC001006881954 791440444 /nfs/dbraw/zinc/44/04/44/791440444.db2.gz OJOQCIBDQLLXTR-CHWSQXEVSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCO1 ZINC001027829073 791467732 /nfs/dbraw/zinc/46/77/32/791467732.db2.gz UICOSNQAJPRBDJ-CHWSQXEVSA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCO1 ZINC001027829073 791467743 /nfs/dbraw/zinc/46/77/43/791467743.db2.gz UICOSNQAJPRBDJ-CHWSQXEVSA-N 1 2 286.803 1.889 20 30 CDEDLO N#CCOc1cccc(NC(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000810162532 791513704 /nfs/dbraw/zinc/51/37/04/791513704.db2.gz LBAYEJIJOBLMSC-UHFFFAOYSA-N 1 2 297.318 1.833 20 30 CDEDLO N#CCN[C@@H]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000981223970 791525101 /nfs/dbraw/zinc/52/51/01/791525101.db2.gz QHIYQCGJGJCEFU-OLZOCXBDSA-N 1 2 297.362 1.488 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)Cc2ccccc2)C1 ZINC000885514119 791678424 /nfs/dbraw/zinc/67/84/24/791678424.db2.gz PYOFMFQRVOXDAZ-OAHLLOKOSA-N 1 2 292.404 1.204 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)Cc2ccccc2)C1 ZINC000885514119 791678442 /nfs/dbraw/zinc/67/84/42/791678442.db2.gz PYOFMFQRVOXDAZ-OAHLLOKOSA-N 1 2 292.404 1.204 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C)cn3ccnc23)C1 ZINC001043453621 791719618 /nfs/dbraw/zinc/71/96/18/791719618.db2.gz MJMCJCXCILWXBT-UHFFFAOYSA-N 1 2 298.390 1.975 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(C2CC2)n1 ZINC001018016109 791726672 /nfs/dbraw/zinc/72/66/72/791726672.db2.gz FFEPPBYDRDADNK-OKILXGFUSA-N 1 2 296.374 1.276 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(C2CC2)n1 ZINC001018016109 791726678 /nfs/dbraw/zinc/72/66/78/791726678.db2.gz FFEPPBYDRDADNK-OKILXGFUSA-N 1 2 296.374 1.276 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccn(C(F)F)n2)C1 ZINC001042793592 791734114 /nfs/dbraw/zinc/73/41/14/791734114.db2.gz OUGSGHQECWNTKM-UHFFFAOYSA-N 1 2 284.310 1.611 20 30 CDEDLO CC1(C)C(=O)N(C[NH+]2CCC(C#N)CC2)[C@@H]1C1CC1 ZINC000811739017 791752332 /nfs/dbraw/zinc/75/23/32/791752332.db2.gz IQJLMWPDOFZWJB-CYBMUJFWSA-N 1 2 261.369 1.826 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001028076249 791761065 /nfs/dbraw/zinc/76/10/65/791761065.db2.gz KBCBYNKXAAOPGW-YUSALJHKSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001028076249 791761079 /nfs/dbraw/zinc/76/10/79/791761079.db2.gz KBCBYNKXAAOPGW-YUSALJHKSA-N 1 2 256.777 1.976 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2ocnc2C(F)(F)F)C1 ZINC001015390134 791787122 /nfs/dbraw/zinc/78/71/22/791787122.db2.gz ANSVYRRYRZKNFC-MRVPVSSYSA-N 1 2 287.241 1.131 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ocnc2C(F)(F)F)C1 ZINC001015390134 791787131 /nfs/dbraw/zinc/78/71/31/791787131.db2.gz ANSVYRRYRZKNFC-MRVPVSSYSA-N 1 2 287.241 1.131 20 30 CDEDLO O=C(C#CC1CC1)N1CC[C@H]2CC[N@H+](Cc3ccon3)[C@H]2C1 ZINC001042056662 791811890 /nfs/dbraw/zinc/81/18/90/791811890.db2.gz ARRPWXFNDSOEAE-ZBFHGGJFSA-N 1 2 299.374 1.511 20 30 CDEDLO O=C(C#CC1CC1)N1CC[C@H]2CC[N@@H+](Cc3ccon3)[C@H]2C1 ZINC001042056662 791811891 /nfs/dbraw/zinc/81/18/91/791811891.db2.gz ARRPWXFNDSOEAE-ZBFHGGJFSA-N 1 2 299.374 1.511 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(OC(C)C)cn2)C1 ZINC001031494267 791856787 /nfs/dbraw/zinc/85/67/87/791856787.db2.gz QVJDCWKBQPIIBV-UHFFFAOYSA-N 1 2 287.363 1.306 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(C)(C)C1 ZINC001032608243 791870805 /nfs/dbraw/zinc/87/08/05/791870805.db2.gz FTKLUZIMWHVHRR-RDBSUJKOSA-N 1 2 260.381 1.731 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(C)(C)C1 ZINC001032608243 791870803 /nfs/dbraw/zinc/87/08/03/791870803.db2.gz FTKLUZIMWHVHRR-RDBSUJKOSA-N 1 2 260.381 1.731 20 30 CDEDLO COc1ccc(C=NNc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000790299324 791873759 /nfs/dbraw/zinc/87/37/59/791873759.db2.gz BTTZXTTYUFYYOA-UHFFFAOYSA-N 1 2 275.268 1.783 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(C#N)[nH]c1C ZINC000874712038 791883210 /nfs/dbraw/zinc/88/32/10/791883210.db2.gz UQUDULOACFMRML-ZDUSSCGKSA-N 1 2 290.367 1.035 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cc(C#N)[nH]c1C ZINC000874712038 791883212 /nfs/dbraw/zinc/88/32/12/791883212.db2.gz UQUDULOACFMRML-ZDUSSCGKSA-N 1 2 290.367 1.035 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(Br)c1 ZINC001038524842 791893644 /nfs/dbraw/zinc/89/36/44/791893644.db2.gz JJODKLCBWVGGAQ-SNVBAGLBSA-N 1 2 296.168 1.215 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(Br)c1 ZINC001038524842 791893648 /nfs/dbraw/zinc/89/36/48/791893648.db2.gz JJODKLCBWVGGAQ-SNVBAGLBSA-N 1 2 296.168 1.215 20 30 CDEDLO CO[C@H](C)c1noc(CO[NH+]=C(N)Cc2ccccc2)n1 ZINC000177557887 791896961 /nfs/dbraw/zinc/89/69/61/791896961.db2.gz NNQVZQPXSLYGAT-SNVBAGLBSA-N 1 2 290.323 1.809 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCO[C@@H]3C)cc2C1 ZINC001054286467 791936101 /nfs/dbraw/zinc/93/61/01/791936101.db2.gz GEISYDJWPCGXRD-DYVFJYSZSA-N 1 2 298.386 1.677 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCO[C@@H]3C)cc2C1 ZINC001054286467 791936109 /nfs/dbraw/zinc/93/61/09/791936109.db2.gz GEISYDJWPCGXRD-DYVFJYSZSA-N 1 2 298.386 1.677 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2cc(C)ccc2C)C1 ZINC001030891394 791990820 /nfs/dbraw/zinc/99/08/20/791990820.db2.gz AXXZRAUFVUPCOH-UHFFFAOYSA-N 1 2 270.376 1.670 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1(F)CCCC1)CO2 ZINC001053852783 792006944 /nfs/dbraw/zinc/00/69/44/792006944.db2.gz QQQBHBRDXFLQPU-CYBMUJFWSA-N 1 2 296.386 1.804 20 30 CDEDLO C=C(C)C[C@H](CO)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000882898958 792031063 /nfs/dbraw/zinc/03/10/63/792031063.db2.gz ANXXZRYWWPHHSX-UKRRQHHQSA-N 1 2 296.411 1.073 20 30 CDEDLO C=C(C)C[C@H](CO)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000882898958 792031078 /nfs/dbraw/zinc/03/10/78/792031078.db2.gz ANXXZRYWWPHHSX-UKRRQHHQSA-N 1 2 296.411 1.073 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)cc(C)nc1C ZINC001038534285 792035626 /nfs/dbraw/zinc/03/56/26/792035626.db2.gz WRDIZRQXZMOWLI-AWEZNQCLSA-N 1 2 271.364 1.444 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)cc(C)nc1C ZINC001038534285 792035645 /nfs/dbraw/zinc/03/56/45/792035645.db2.gz WRDIZRQXZMOWLI-AWEZNQCLSA-N 1 2 271.364 1.444 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncoc1[C@H]1CCCO1 ZINC001038598322 792044990 /nfs/dbraw/zinc/04/49/90/792044990.db2.gz UNRZPDHQFRAULJ-VXGBXAGGSA-N 1 2 291.351 1.516 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ncoc1[C@H]1CCCO1 ZINC001038598322 792045005 /nfs/dbraw/zinc/04/50/05/792045005.db2.gz UNRZPDHQFRAULJ-VXGBXAGGSA-N 1 2 291.351 1.516 20 30 CDEDLO C#CC[C@@H]1CC[N@@H+]([C@H](C)c2nc(N)nc(Cl)n2)C1 ZINC000886364062 792051168 /nfs/dbraw/zinc/05/11/68/792051168.db2.gz NLKOQMGBOXHAQT-RKDXNWHRSA-N 1 2 265.748 1.513 20 30 CDEDLO C#CC[C@@H]1CC[N@H+]([C@H](C)c2nc(N)nc(Cl)n2)C1 ZINC000886364062 792051177 /nfs/dbraw/zinc/05/11/77/792051177.db2.gz NLKOQMGBOXHAQT-RKDXNWHRSA-N 1 2 265.748 1.513 20 30 CDEDLO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(c4cc[nH+]c(C)n4)C[C@H]32)C1 ZINC001056396793 792084476 /nfs/dbraw/zinc/08/44/76/792084476.db2.gz XNBBGBJYYHPNIM-NHAGDIPZSA-N 1 2 298.390 1.692 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc(CC)nn2C)C1 ZINC001032070352 792094134 /nfs/dbraw/zinc/09/41/34/792094134.db2.gz SSOXXYQABHFTAB-UHFFFAOYSA-N 1 2 296.802 1.397 20 30 CDEDLO C#CCONC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000812781293 792096411 /nfs/dbraw/zinc/09/64/11/792096411.db2.gz OPPOWAXZMAYSII-UHFFFAOYSA-N 1 2 296.330 1.692 20 30 CDEDLO CC[C@]1(C)CC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853523770 792138828 /nfs/dbraw/zinc/13/88/28/792138828.db2.gz GSTHXJUHOMZBBN-IUODEOHRSA-N 1 2 277.368 1.745 20 30 CDEDLO CC[C@]1(C)CC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853523770 792138864 /nfs/dbraw/zinc/13/88/64/792138864.db2.gz GSTHXJUHOMZBBN-IUODEOHRSA-N 1 2 277.368 1.745 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(n1)CCC2 ZINC000837033146 792166634 /nfs/dbraw/zinc/16/66/34/792166634.db2.gz NXCRYFHEAIPIAU-AWEZNQCLSA-N 1 2 269.348 1.606 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(n1)CCC2 ZINC000837033146 792166658 /nfs/dbraw/zinc/16/66/58/792166658.db2.gz NXCRYFHEAIPIAU-AWEZNQCLSA-N 1 2 269.348 1.606 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc(OC)c(F)c2)C1 ZINC001030632129 792170786 /nfs/dbraw/zinc/17/07/86/792170786.db2.gz NQAXNSYWJSWPBD-UHFFFAOYSA-N 1 2 290.338 1.201 20 30 CDEDLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1F ZINC000882765705 792302562 /nfs/dbraw/zinc/30/25/62/792302562.db2.gz HQLQCUCVDRPMQH-LLVKDONJSA-N 1 2 297.355 1.070 20 30 CDEDLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1F ZINC000882765705 792302574 /nfs/dbraw/zinc/30/25/74/792302574.db2.gz HQLQCUCVDRPMQH-LLVKDONJSA-N 1 2 297.355 1.070 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ncccc1CC ZINC001038435064 792304496 /nfs/dbraw/zinc/30/44/96/792304496.db2.gz NABRLPVBLGBYSA-AWEZNQCLSA-N 1 2 271.364 1.471 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncccc1CC ZINC001038435064 792304508 /nfs/dbraw/zinc/30/45/08/792304508.db2.gz NABRLPVBLGBYSA-AWEZNQCLSA-N 1 2 271.364 1.471 20 30 CDEDLO COC(=O)[C@@H]([NH2+]CCO[C@H](C)C#N)C1CCCCC1 ZINC000801941616 792307376 /nfs/dbraw/zinc/30/73/76/792307376.db2.gz RQXZPAHESQGCDQ-YPMHNXCESA-N 1 2 268.357 1.627 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)no1 ZINC001050814591 792307742 /nfs/dbraw/zinc/30/77/42/792307742.db2.gz JAEWJLPJYNXBCU-ZDUSSCGKSA-N 1 2 293.367 1.380 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)no1 ZINC001050814591 792307754 /nfs/dbraw/zinc/30/77/54/792307754.db2.gz JAEWJLPJYNXBCU-ZDUSSCGKSA-N 1 2 293.367 1.380 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC001010624019 792394635 /nfs/dbraw/zinc/39/46/35/792394635.db2.gz DSBYQPIHWRSTBN-NEPJUHHUSA-N 1 2 272.776 1.499 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC001010624019 792394647 /nfs/dbraw/zinc/39/46/47/792394647.db2.gz DSBYQPIHWRSTBN-NEPJUHHUSA-N 1 2 272.776 1.499 20 30 CDEDLO CN(C)c1ncc(C=[NH+]Nc2ccc(C#N)cc2)n1C ZINC000811637519 792439992 /nfs/dbraw/zinc/43/99/92/792439992.db2.gz ADLODFZVSNGTTR-UHFFFAOYSA-N 1 2 268.324 1.804 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccc3c2O[C@@H](C)C3)C1 ZINC001043381946 792519372 /nfs/dbraw/zinc/51/93/72/792519372.db2.gz YVWIYVJNLMKOEV-ZDUSSCGKSA-N 1 2 298.386 1.790 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2oc(C)nc2c1 ZINC001032466935 792539772 /nfs/dbraw/zinc/53/97/72/792539772.db2.gz LPOWXIHRXXLGPU-KBPBESRZSA-N 1 2 295.342 1.668 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2oc(C)nc2c1 ZINC001032466935 792539835 /nfs/dbraw/zinc/53/98/35/792539835.db2.gz LPOWXIHRXXLGPU-KBPBESRZSA-N 1 2 295.342 1.668 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC001030714141 792556592 /nfs/dbraw/zinc/55/65/92/792556592.db2.gz WAHOMFLTRDBMLL-GJZGRUSLSA-N 1 2 278.396 1.711 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001031193482 792558437 /nfs/dbraw/zinc/55/84/37/792558437.db2.gz PRWCMLDUKRYMSW-UHFFFAOYSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CCCOc1ccc(C[N@H+]2CC(=O)N(C)C[C@H]2C)cc1 ZINC000783735110 792579418 /nfs/dbraw/zinc/57/94/18/792579418.db2.gz YWYFTRHPJWXPRN-CQSZACIVSA-N 1 2 286.375 1.751 20 30 CDEDLO C#CCCOc1ccc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)cc1 ZINC000783735110 792579427 /nfs/dbraw/zinc/57/94/27/792579427.db2.gz YWYFTRHPJWXPRN-CQSZACIVSA-N 1 2 286.375 1.751 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC1(C)C)CO2 ZINC001053900880 792581065 /nfs/dbraw/zinc/58/10/65/792581065.db2.gz WMEIVOAHTZDCBY-ZIAGYGMSSA-N 1 2 292.423 1.958 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2[nH]nc(C)c2C)CC[C@H]1C ZINC001071396942 792587132 /nfs/dbraw/zinc/58/71/32/792587132.db2.gz SZDREUOFQGINCG-RISCZKNCSA-N 1 2 288.395 1.633 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2[nH]nc(C)c2C)CC[C@H]1C ZINC001071396942 792587143 /nfs/dbraw/zinc/58/71/43/792587143.db2.gz SZDREUOFQGINCG-RISCZKNCSA-N 1 2 288.395 1.633 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cnsn2)C1 ZINC001054977051 792685673 /nfs/dbraw/zinc/68/56/73/792685673.db2.gz SXHKFGSBOKKYRV-CMPLNLGQSA-N 1 2 294.424 1.687 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccnc(OC(C)C)c2)C1 ZINC001031240086 792719632 /nfs/dbraw/zinc/71/96/32/792719632.db2.gz MTCHSCVUJKTFPE-UHFFFAOYSA-N 1 2 289.379 1.859 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cscn1 ZINC001018332791 792764154 /nfs/dbraw/zinc/76/41/54/792764154.db2.gz UKBAZQSEDHIBDB-OKILXGFUSA-N 1 2 289.404 1.384 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cscn1 ZINC001018332791 792764174 /nfs/dbraw/zinc/76/41/74/792764174.db2.gz UKBAZQSEDHIBDB-OKILXGFUSA-N 1 2 289.404 1.384 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1N(C)C ZINC001039074988 792767232 /nfs/dbraw/zinc/76/72/32/792767232.db2.gz QVBMMKKLDKKWOG-ZDUSSCGKSA-N 1 2 271.364 1.190 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1N(C)C ZINC001039074988 792767247 /nfs/dbraw/zinc/76/72/47/792767247.db2.gz QVBMMKKLDKKWOG-ZDUSSCGKSA-N 1 2 271.364 1.190 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C)nc2)C1 ZINC001035289353 792767500 /nfs/dbraw/zinc/76/75/00/792767500.db2.gz BKFLUGUMSBQMKX-CQSZACIVSA-N 1 2 275.352 1.007 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(C)nc2)C1 ZINC001035289353 792767522 /nfs/dbraw/zinc/76/75/22/792767522.db2.gz BKFLUGUMSBQMKX-CQSZACIVSA-N 1 2 275.352 1.007 20 30 CDEDLO C[C@@H]1CCN(C[N@H+](C)Cc2cccc(C#N)c2)C1=O ZINC000839957874 792794976 /nfs/dbraw/zinc/79/49/76/792794976.db2.gz FNLSLLOSBLQTIA-GFCCVEGCSA-N 1 2 257.337 1.816 20 30 CDEDLO C[C@@H]1CCN(C[N@@H+](C)Cc2cccc(C#N)c2)C1=O ZINC000839957874 792795024 /nfs/dbraw/zinc/79/50/24/792795024.db2.gz FNLSLLOSBLQTIA-GFCCVEGCSA-N 1 2 257.337 1.816 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2sccc2F)C1 ZINC001030279252 792795737 /nfs/dbraw/zinc/79/57/37/792795737.db2.gz ITSCJRGXQSWJSL-UHFFFAOYSA-N 1 2 254.330 1.877 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(CCC)[nH]n2)C1 ZINC001033316413 792831972 /nfs/dbraw/zinc/83/19/72/792831972.db2.gz TYMAZQIGDMWPES-AWEZNQCLSA-N 1 2 288.395 1.532 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(CCC)[nH]n2)C1 ZINC001033316413 792831978 /nfs/dbraw/zinc/83/19/78/792831978.db2.gz TYMAZQIGDMWPES-AWEZNQCLSA-N 1 2 288.395 1.532 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2cnns2)C1 ZINC001027336540 792842972 /nfs/dbraw/zinc/84/29/72/792842972.db2.gz SBNWHTDLGOIVAZ-QWRGUYRKSA-N 1 2 293.396 1.121 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2cnns2)C1 ZINC001027336540 792842974 /nfs/dbraw/zinc/84/29/74/792842974.db2.gz SBNWHTDLGOIVAZ-QWRGUYRKSA-N 1 2 293.396 1.121 20 30 CDEDLO Cc1ncc(C[NH+]2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC001031619325 792853882 /nfs/dbraw/zinc/85/38/82/792853882.db2.gz SRUSAQBBANKRLL-UHFFFAOYSA-N 1 2 299.334 1.045 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001075820029 792868112 /nfs/dbraw/zinc/86/81/12/792868112.db2.gz KZIHXGVZPZMKCS-AXFHLTTASA-N 1 2 294.292 1.996 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001075820029 792868122 /nfs/dbraw/zinc/86/81/22/792868122.db2.gz KZIHXGVZPZMKCS-AXFHLTTASA-N 1 2 294.292 1.996 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC2(CC2)CC1 ZINC000884444170 792871605 /nfs/dbraw/zinc/87/16/05/792871605.db2.gz ARJJAACRUUKXRQ-LBPRGKRZSA-N 1 2 280.368 1.226 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000884621431 792882631 /nfs/dbraw/zinc/88/26/31/792882631.db2.gz IVJARFHXCPRHSN-XYYAHUGASA-N 1 2 276.336 1.170 20 30 CDEDLO C#CC1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 ZINC000842636658 792928117 /nfs/dbraw/zinc/92/81/17/792928117.db2.gz KVQPXQAYLYIJGH-UHFFFAOYSA-N 1 2 295.386 1.901 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2n(c1)CCCC2 ZINC001018351194 792931290 /nfs/dbraw/zinc/93/12/90/792931290.db2.gz FVVAYDSRJRMITN-CALCHBBNSA-N 1 2 297.402 1.746 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2n(c1)CCCC2 ZINC001018351194 792931329 /nfs/dbraw/zinc/93/13/29/792931329.db2.gz FVVAYDSRJRMITN-CALCHBBNSA-N 1 2 297.402 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2OCC)CC1 ZINC001000458962 793042786 /nfs/dbraw/zinc/04/27/86/793042786.db2.gz OOINMBJPLQEMEF-ZIAGYGMSSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2OCC)CC1 ZINC001000458962 793042806 /nfs/dbraw/zinc/04/28/06/793042806.db2.gz OOINMBJPLQEMEF-ZIAGYGMSSA-N 1 2 298.814 1.912 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2snnc2CC)C1 ZINC001033893257 793054369 /nfs/dbraw/zinc/05/43/69/793054369.db2.gz ONJXJYNGNTVBFA-NSHDSACASA-N 1 2 292.408 1.270 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2snnc2CC)C1 ZINC001033893257 793054391 /nfs/dbraw/zinc/05/43/91/793054391.db2.gz ONJXJYNGNTVBFA-NSHDSACASA-N 1 2 292.408 1.270 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc3c(cn2)CCCC3)C1 ZINC001030648889 793055156 /nfs/dbraw/zinc/05/51/56/793055156.db2.gz DOLRSQKLCNUYRU-UHFFFAOYSA-N 1 2 283.375 1.398 20 30 CDEDLO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001027882403 793055612 /nfs/dbraw/zinc/05/56/12/793055612.db2.gz NTZATCLJUWWUJP-OLZOCXBDSA-N 1 2 288.395 1.596 20 30 CDEDLO C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001027882403 793055625 /nfs/dbraw/zinc/05/56/25/793055625.db2.gz NTZATCLJUWWUJP-OLZOCXBDSA-N 1 2 288.395 1.596 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCC[C@H]2OC)C1 ZINC001031465672 793073478 /nfs/dbraw/zinc/07/34/78/793073478.db2.gz LITNFFMSZZKDNM-ZIAGYGMSSA-N 1 2 264.369 1.015 20 30 CDEDLO CCC[N@H+](Cc1csc(C#N)c1)[C@H]1CC(=O)N(C)C1=O ZINC000894270177 793126297 /nfs/dbraw/zinc/12/62/97/793126297.db2.gz YSFWDILVURXXCJ-LBPRGKRZSA-N 1 2 291.376 1.589 20 30 CDEDLO CCC[N@@H+](Cc1csc(C#N)c1)[C@H]1CC(=O)N(C)C1=O ZINC000894270177 793126306 /nfs/dbraw/zinc/12/63/06/793126306.db2.gz YSFWDILVURXXCJ-LBPRGKRZSA-N 1 2 291.376 1.589 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(CC#N)n1 ZINC000881155421 793148184 /nfs/dbraw/zinc/14/81/84/793148184.db2.gz WYZRUGJDQWXHNA-LLVKDONJSA-N 1 2 284.323 1.554 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCCO1 ZINC001054032130 793187251 /nfs/dbraw/zinc/18/72/51/793187251.db2.gz RZNQOUDVJWHMBW-DLBZAZTESA-N 1 2 298.386 1.342 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCCO1 ZINC001054032130 793187277 /nfs/dbraw/zinc/18/72/77/793187277.db2.gz RZNQOUDVJWHMBW-DLBZAZTESA-N 1 2 298.386 1.342 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cccnn2)CC[C@@H]1C ZINC001071923557 793194125 /nfs/dbraw/zinc/19/41/25/793194125.db2.gz KFWDJRALLDSAJZ-RYUDHWBXSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cccnn2)CC[C@@H]1C ZINC001071923557 793194219 /nfs/dbraw/zinc/19/42/19/793194219.db2.gz KFWDJRALLDSAJZ-RYUDHWBXSA-N 1 2 294.786 1.812 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nccs1)O2 ZINC001053683392 793302966 /nfs/dbraw/zinc/30/29/66/793302966.db2.gz DEQDZKXGRKJSGX-NSHDSACASA-N 1 2 293.392 1.292 20 30 CDEDLO Cc1nnc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H](C)C#N)o1 ZINC000959926881 793313120 /nfs/dbraw/zinc/31/31/20/793313120.db2.gz XMUQHVDSBYFWNH-JQWIXIFHSA-N 1 2 291.355 1.008 20 30 CDEDLO C#C[C@H](CC)NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000854073883 793363290 /nfs/dbraw/zinc/36/32/90/793363290.db2.gz FGOXBJUPBSAZOJ-BFHYXJOUSA-N 1 2 274.368 1.887 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cscc1C ZINC001017454249 793376445 /nfs/dbraw/zinc/37/64/45/793376445.db2.gz HKSQARZHHDINGO-BETUJISGSA-N 1 2 274.389 1.979 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cscc1C ZINC001017454249 793376453 /nfs/dbraw/zinc/37/64/53/793376453.db2.gz HKSQARZHHDINGO-BETUJISGSA-N 1 2 274.389 1.979 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1oncc1C)CO2 ZINC001053970436 793387157 /nfs/dbraw/zinc/38/71/57/793387157.db2.gz MGOSEMMVTNUKBN-GFCCVEGCSA-N 1 2 291.351 1.132 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(F)c(F)c2)C1 ZINC001042928983 793456337 /nfs/dbraw/zinc/45/63/37/793456337.db2.gz OIPRJOQYXRYBFE-UHFFFAOYSA-N 1 2 278.302 1.744 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnccn2)[C@H]1C ZINC000992978708 793477659 /nfs/dbraw/zinc/47/76/59/793477659.db2.gz CQBBGDFKNNVFGA-NEPJUHHUSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnccn2)[C@H]1C ZINC000992978708 793477687 /nfs/dbraw/zinc/47/76/87/793477687.db2.gz CQBBGDFKNNVFGA-NEPJUHHUSA-N 1 2 294.786 1.812 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H](OC)C1 ZINC001017863833 793478353 /nfs/dbraw/zinc/47/83/53/793478353.db2.gz INHPMMNOFMYVHK-WCVJEAGWSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H](OC)C1 ZINC001017863833 793478365 /nfs/dbraw/zinc/47/83/65/793478365.db2.gz INHPMMNOFMYVHK-WCVJEAGWSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccn1C ZINC001017361441 793811110 /nfs/dbraw/zinc/81/11/10/793811110.db2.gz DQHGVDVFZPZLNY-OKILXGFUSA-N 1 2 271.364 1.337 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccn1C ZINC001017361441 793811111 /nfs/dbraw/zinc/81/11/11/793811111.db2.gz DQHGVDVFZPZLNY-OKILXGFUSA-N 1 2 271.364 1.337 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)sc1C ZINC001038473451 793820003 /nfs/dbraw/zinc/82/00/03/793820003.db2.gz BNVOGMYGHWUGQJ-GFCCVEGCSA-N 1 2 262.378 1.802 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)sc1C ZINC001038473451 793820004 /nfs/dbraw/zinc/82/00/04/793820004.db2.gz BNVOGMYGHWUGQJ-GFCCVEGCSA-N 1 2 262.378 1.802 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1scnc1C(F)F ZINC001028023129 793854013 /nfs/dbraw/zinc/85/40/13/793854013.db2.gz QTVOZGOHXNYHNR-SECBINFHSA-N 1 2 299.346 1.908 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1scnc1C(F)F ZINC001028023129 793854014 /nfs/dbraw/zinc/85/40/14/793854014.db2.gz QTVOZGOHXNYHNR-SECBINFHSA-N 1 2 299.346 1.908 20 30 CDEDLO C=CC[N@H+]1C[C@H](NC(=O)c2[nH]ncc2F)CC[C@H]1C ZINC001071800203 793854155 /nfs/dbraw/zinc/85/41/55/793854155.db2.gz SNHFPDYQMYHHIZ-NXEZZACHSA-N 1 2 266.320 1.318 20 30 CDEDLO C=CC[N@@H+]1C[C@H](NC(=O)c2[nH]ncc2F)CC[C@H]1C ZINC001071800203 793854156 /nfs/dbraw/zinc/85/41/56/793854156.db2.gz SNHFPDYQMYHHIZ-NXEZZACHSA-N 1 2 266.320 1.318 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC001031101721 793950069 /nfs/dbraw/zinc/95/00/69/793950069.db2.gz LADODDXFNMBIFZ-UHFFFAOYSA-N 1 2 284.363 1.861 20 30 CDEDLO C#CC[NH2+][C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC000999206642 794049253 /nfs/dbraw/zinc/04/92/53/794049253.db2.gz GFZKNAPXUYXZOE-IUCAKERBSA-N 1 2 266.238 1.101 20 30 CDEDLO C#CC[NH2+][C@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000999206642 794049261 /nfs/dbraw/zinc/04/92/61/794049261.db2.gz GFZKNAPXUYXZOE-IUCAKERBSA-N 1 2 266.238 1.101 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc[nH]2)C1 ZINC001046139644 794062329 /nfs/dbraw/zinc/06/23/29/794062329.db2.gz LIRCVDRJRAUOCU-ZDUSSCGKSA-N 1 2 267.760 1.961 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc[nH]2)C1 ZINC001046139644 794062338 /nfs/dbraw/zinc/06/23/38/794062338.db2.gz LIRCVDRJRAUOCU-ZDUSSCGKSA-N 1 2 267.760 1.961 20 30 CDEDLO C=C(Br)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000847395396 794107294 /nfs/dbraw/zinc/10/72/94/794107294.db2.gz UXQYTTZLFCMAPW-ZETCQYMHSA-N 1 2 272.146 1.613 20 30 CDEDLO C=C(Br)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000847395396 794107311 /nfs/dbraw/zinc/10/73/11/794107311.db2.gz UXQYTTZLFCMAPW-ZETCQYMHSA-N 1 2 272.146 1.613 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001045149326 794225391 /nfs/dbraw/zinc/22/53/91/794225391.db2.gz AAPRBUAIPLBLNI-LBPRGKRZSA-N 1 2 292.383 1.671 20 30 CDEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)cc1 ZINC000783728445 794299192 /nfs/dbraw/zinc/29/91/92/794299192.db2.gz IEGXANZVKPNNPR-STQMWFEESA-N 1 2 287.363 1.640 20 30 CDEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)cc1 ZINC000783728445 794299199 /nfs/dbraw/zinc/29/91/99/794299199.db2.gz IEGXANZVKPNNPR-STQMWFEESA-N 1 2 287.363 1.640 20 30 CDEDLO CN1CC[N@H+](C[C@H](O)CC#N)[C@@H](Cc2ccccc2)C1 ZINC000930856327 794324150 /nfs/dbraw/zinc/32/41/50/794324150.db2.gz NNXWUUKWBWRLIU-JKSUJKDBSA-N 1 2 273.380 1.120 20 30 CDEDLO CN1CC[N@@H+](C[C@H](O)CC#N)[C@@H](Cc2ccccc2)C1 ZINC000930856327 794324160 /nfs/dbraw/zinc/32/41/60/794324160.db2.gz NNXWUUKWBWRLIU-JKSUJKDBSA-N 1 2 273.380 1.120 20 30 CDEDLO C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1[nH]ncc1F ZINC001024637452 794351999 /nfs/dbraw/zinc/35/19/99/794351999.db2.gz LBXLDURIRPXGAF-NSHDSACASA-N 1 2 280.347 1.709 20 30 CDEDLO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1[nH]ncc1F ZINC001024637452 794352007 /nfs/dbraw/zinc/35/20/07/794352007.db2.gz LBXLDURIRPXGAF-NSHDSACASA-N 1 2 280.347 1.709 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C(C)(C)C)cn1 ZINC001038262554 794532951 /nfs/dbraw/zinc/53/29/51/794532951.db2.gz LOSQIEXUAMRVEA-AWEZNQCLSA-N 1 2 285.391 1.816 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(C)(C)C)cn1 ZINC001038262554 794532970 /nfs/dbraw/zinc/53/29/70/794532970.db2.gz LOSQIEXUAMRVEA-AWEZNQCLSA-N 1 2 285.391 1.816 20 30 CDEDLO C#CC[C@@H](CCOC)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000863391897 794594065 /nfs/dbraw/zinc/59/40/65/794594065.db2.gz YMIUROAPZWCOPZ-NEPJUHHUSA-N 1 2 255.358 1.735 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cncs2)C1 ZINC001006873202 794636526 /nfs/dbraw/zinc/63/65/26/794636526.db2.gz UUDOYOMSEZUVBR-LLVKDONJSA-N 1 2 263.366 1.361 20 30 CDEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cncs2)C1 ZINC001006873202 794636532 /nfs/dbraw/zinc/63/65/32/794636532.db2.gz UUDOYOMSEZUVBR-LLVKDONJSA-N 1 2 263.366 1.361 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)C[C@H]2COC(C)(C)O2)n1 ZINC000851996669 794684255 /nfs/dbraw/zinc/68/42/55/794684255.db2.gz YUTUQBCUUGZOGZ-AWEZNQCLSA-N 1 2 277.368 1.490 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)C[C@H]2COC(C)(C)O2)n1 ZINC000851996669 794684277 /nfs/dbraw/zinc/68/42/77/794684277.db2.gz YUTUQBCUUGZOGZ-AWEZNQCLSA-N 1 2 277.368 1.490 20 30 CDEDLO C=C(Cl)CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000777539623 794684948 /nfs/dbraw/zinc/68/49/48/794684948.db2.gz GELDUEQVKLDHSM-SECBINFHSA-N 1 2 254.721 1.250 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)n2cccn2)C1 ZINC001032932856 794743428 /nfs/dbraw/zinc/74/34/28/794743428.db2.gz UVTFRTMPWAHCQC-QWHCGFSZSA-N 1 2 296.802 1.729 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)n2cccn2)C1 ZINC001032932856 794743440 /nfs/dbraw/zinc/74/34/40/794743440.db2.gz UVTFRTMPWAHCQC-QWHCGFSZSA-N 1 2 296.802 1.729 20 30 CDEDLO C#CCNC(=O)C[NH2+][C@H](c1ccc(C)cc1)c1ccccn1 ZINC000791642461 794750129 /nfs/dbraw/zinc/75/01/29/794750129.db2.gz XUBWRFCAYDCXCY-GOSISDBHSA-N 1 2 293.370 1.818 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2OCCc3ccccc32)C1 ZINC001031281898 794768226 /nfs/dbraw/zinc/76/82/26/794768226.db2.gz SHFSMCMOGKEAJA-INIZCTEOSA-N 1 2 286.375 1.677 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2c(cccc2C)O1 ZINC001038921992 794776529 /nfs/dbraw/zinc/77/65/29/794776529.db2.gz UOVPAWRCOFZSSY-PBHICJAKSA-N 1 2 298.386 1.512 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1Cc2c(cccc2C)O1 ZINC001038921992 794776534 /nfs/dbraw/zinc/77/65/34/794776534.db2.gz UOVPAWRCOFZSSY-PBHICJAKSA-N 1 2 298.386 1.512 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCC1(C)C)O2 ZINC001053646655 794877388 /nfs/dbraw/zinc/87/73/88/794877388.db2.gz BHCJYFNUZPUEMZ-ZIAGYGMSSA-N 1 2 292.423 1.958 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnsn1 ZINC001027772317 794884670 /nfs/dbraw/zinc/88/46/70/794884670.db2.gz ZGVRSHZPEWVOAA-VIFPVBQESA-N 1 2 286.788 1.485 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnsn1 ZINC001027772317 794884671 /nfs/dbraw/zinc/88/46/71/794884671.db2.gz ZGVRSHZPEWVOAA-VIFPVBQESA-N 1 2 286.788 1.485 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)CC2CC2)CC1 ZINC000783653751 794893406 /nfs/dbraw/zinc/89/34/06/794893406.db2.gz GQHHITBQMOAPMU-UHFFFAOYSA-N 1 2 263.337 1.244 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccn1C)CO2 ZINC001053743623 794905206 /nfs/dbraw/zinc/90/52/06/794905206.db2.gz VYXWVCZKUIXJOZ-CYBMUJFWSA-N 1 2 289.379 1.174 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nn(C)c(C)c1Cl ZINC001032657010 794959412 /nfs/dbraw/zinc/95/94/12/794959412.db2.gz SJAAYOKVKXTQEG-QWRGUYRKSA-N 1 2 294.786 1.467 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nn(C)c(C)c1Cl ZINC001032657010 794959417 /nfs/dbraw/zinc/95/94/17/794959417.db2.gz SJAAYOKVKXTQEG-QWRGUYRKSA-N 1 2 294.786 1.467 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882873370 794965007 /nfs/dbraw/zinc/96/50/07/794965007.db2.gz YIHZFKZTEQZXJE-TZMCWYRMSA-N 1 2 268.320 1.900 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)NCCC#N)CC2(CCCC2)O1 ZINC000830832708 794974573 /nfs/dbraw/zinc/97/45/73/794974573.db2.gz OFQYFQZVWYEZEL-LBPRGKRZSA-N 1 2 265.357 1.050 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)NCCC#N)CC2(CCCC2)O1 ZINC000830832708 794974578 /nfs/dbraw/zinc/97/45/78/794974578.db2.gz OFQYFQZVWYEZEL-LBPRGKRZSA-N 1 2 265.357 1.050 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cn3ccccc3n2)C1 ZINC001030534699 794994443 /nfs/dbraw/zinc/99/44/43/794994443.db2.gz CVZMERRBQRNWCL-UHFFFAOYSA-N 1 2 284.363 1.253 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2nnc(CC)o2)CC1 ZINC000717404942 795009290 /nfs/dbraw/zinc/00/92/90/795009290.db2.gz IGJZGCIVQMKCPN-UHFFFAOYSA-N 1 2 251.330 1.535 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(C(F)(F)F)no2)C1 ZINC001014819929 795015275 /nfs/dbraw/zinc/01/52/75/795015275.db2.gz IKNVVIXPKGQXDT-MRVPVSSYSA-N 1 2 287.241 1.131 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C(F)(F)F)no2)C1 ZINC001014819929 795015287 /nfs/dbraw/zinc/01/52/87/795015287.db2.gz IKNVVIXPKGQXDT-MRVPVSSYSA-N 1 2 287.241 1.131 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2cccc(OCC)c2)C1 ZINC001031447458 795017814 /nfs/dbraw/zinc/01/78/14/795017814.db2.gz XTKYCJIVILOGCG-UHFFFAOYSA-N 1 2 286.375 1.452 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2ccc(C(F)F)o2)CC1 ZINC000989573810 795019017 /nfs/dbraw/zinc/01/90/17/795019017.db2.gz BZRGLWUBJPBSAG-UHFFFAOYSA-N 1 2 282.290 1.998 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2ccc(C(F)F)o2)CC1 ZINC000989573810 795019024 /nfs/dbraw/zinc/01/90/24/795019024.db2.gz BZRGLWUBJPBSAG-UHFFFAOYSA-N 1 2 282.290 1.998 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001017932664 795036006 /nfs/dbraw/zinc/03/60/06/795036006.db2.gz KFXNQXTWFXCDJZ-HZSPNIEDSA-N 1 2 298.390 1.138 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001017932664 795036013 /nfs/dbraw/zinc/03/60/13/795036013.db2.gz KFXNQXTWFXCDJZ-HZSPNIEDSA-N 1 2 298.390 1.138 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@]13C[C@H]1CCC3)CO2 ZINC001053875210 795153145 /nfs/dbraw/zinc/15/31/45/795153145.db2.gz VIAQSNNCYFGYQP-CKEIUWERSA-N 1 2 288.391 1.159 20 30 CDEDLO C#CC1(NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CCCC1 ZINC000883337114 795385608 /nfs/dbraw/zinc/38/56/08/795385608.db2.gz ZEZMKFBMVHOIIH-KBPBESRZSA-N 1 2 293.411 1.341 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(F)c1 ZINC001032308386 795432006 /nfs/dbraw/zinc/43/20/06/795432006.db2.gz FCQPSUSZMSSPQC-STQMWFEESA-N 1 2 273.311 1.143 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(F)c1 ZINC001032308386 795432036 /nfs/dbraw/zinc/43/20/36/795432036.db2.gz FCQPSUSZMSSPQC-STQMWFEESA-N 1 2 273.311 1.143 20 30 CDEDLO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1nnnn1C1CC1 ZINC000191475060 795497943 /nfs/dbraw/zinc/49/79/43/795497943.db2.gz IOQJSDNJVGIQDH-NSHDSACASA-N 1 2 285.326 1.849 20 30 CDEDLO C=C(C)C[C@H](CO)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000882893666 795509226 /nfs/dbraw/zinc/50/92/26/795509226.db2.gz ZFGYDCGWTRORGE-CQSZACIVSA-N 1 2 287.363 1.629 20 30 CDEDLO C=C(C)CONC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000845603668 795557257 /nfs/dbraw/zinc/55/72/57/795557257.db2.gz VTOIUROEIMQFBK-UHFFFAOYSA-N 1 2 288.351 1.992 20 30 CDEDLO C[N@H+](C[C@H](O)CC#N)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000809575274 795627289 /nfs/dbraw/zinc/62/72/89/795627289.db2.gz XSCHLROUEZIFQR-BXUZGUMPSA-N 1 2 291.326 1.137 20 30 CDEDLO C[N@@H+](C[C@H](O)CC#N)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000809575274 795627304 /nfs/dbraw/zinc/62/73/04/795627304.db2.gz XSCHLROUEZIFQR-BXUZGUMPSA-N 1 2 291.326 1.137 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(F)cc2C)C1 ZINC001044212607 795804930 /nfs/dbraw/zinc/80/49/30/795804930.db2.gz KUACDDZHJVPOCD-UHFFFAOYSA-N 1 2 274.339 1.914 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)C2(SC)CCC2)CC1 ZINC000787282852 795820536 /nfs/dbraw/zinc/82/05/36/795820536.db2.gz KSVUHPUYUUKIIF-UHFFFAOYSA-N 1 2 266.410 1.440 20 30 CDEDLO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1ccc(Cl)cc1C#N ZINC000931652447 795829665 /nfs/dbraw/zinc/82/96/65/795829665.db2.gz GORKQCABGFQCKV-GFCCVEGCSA-N 1 2 277.755 1.826 20 30 CDEDLO C#CC[C@@H](CCOC)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000858547332 795835364 /nfs/dbraw/zinc/83/53/64/795835364.db2.gz KBLNODHNLQGOQI-HNNXBMFYSA-N 1 2 289.379 1.926 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c2c1CCC2 ZINC001017701162 795836623 /nfs/dbraw/zinc/83/66/23/795836623.db2.gz HHWSXAISZZAKNY-BETUJISGSA-N 1 2 298.390 1.211 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c2c1CCC2 ZINC001017701162 795836624 /nfs/dbraw/zinc/83/66/24/795836624.db2.gz HHWSXAISZZAKNY-BETUJISGSA-N 1 2 298.390 1.211 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2nnc(C)o2)C1 ZINC001033058899 795847989 /nfs/dbraw/zinc/84/79/89/795847989.db2.gz SPUMJHMQRNAPJX-NSHDSACASA-N 1 2 298.774 1.206 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2nnc(C)o2)C1 ZINC001033058899 795847992 /nfs/dbraw/zinc/84/79/92/795847992.db2.gz SPUMJHMQRNAPJX-NSHDSACASA-N 1 2 298.774 1.206 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CC(C)(C)O)C[C@H]21 ZINC001074229014 795851450 /nfs/dbraw/zinc/85/14/50/795851450.db2.gz IJHOQURDGYUBFM-ZIAGYGMSSA-N 1 2 296.411 1.025 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CC(C)(C)O)C[C@H]21 ZINC001074229014 795851451 /nfs/dbraw/zinc/85/14/51/795851451.db2.gz IJHOQURDGYUBFM-ZIAGYGMSSA-N 1 2 296.411 1.025 20 30 CDEDLO CCn1cc(CCO[NH+]=C(N)c2ccc(F)cc2)cn1 ZINC000842019641 795862897 /nfs/dbraw/zinc/86/28/97/795862897.db2.gz SGGSKYVCMSKDDU-UHFFFAOYSA-N 1 2 276.315 1.922 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2c3c[nH]nc3CC[C@H]2C)C1 ZINC001030697076 795871382 /nfs/dbraw/zinc/87/13/82/795871382.db2.gz IOZHJTDIHPRODY-IAQYHMDHSA-N 1 2 288.395 1.452 20 30 CDEDLO C=C(Br)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845302841 796008370 /nfs/dbraw/zinc/00/83/70/796008370.db2.gz YFYKLMRFXNXDMR-VIFPVBQESA-N 1 2 272.146 1.859 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@]2(C)CCCOC2)C1 ZINC001031155962 796035678 /nfs/dbraw/zinc/03/56/78/796035678.db2.gz FGUVGEFPPLNYHI-AWEZNQCLSA-N 1 2 252.358 1.180 20 30 CDEDLO C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC001027592101 796038762 /nfs/dbraw/zinc/03/87/62/796038762.db2.gz JUGYHXYCUGINCG-ZDUSSCGKSA-N 1 2 286.379 1.457 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnco1 ZINC001028053324 796044431 /nfs/dbraw/zinc/04/44/31/796044431.db2.gz AKINJMAZKGSFLS-SNVBAGLBSA-N 1 2 269.732 1.621 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnco1 ZINC001028053324 796044441 /nfs/dbraw/zinc/04/44/41/796044441.db2.gz AKINJMAZKGSFLS-SNVBAGLBSA-N 1 2 269.732 1.621 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn2cc(C)ccc2n1 ZINC001038412754 796083182 /nfs/dbraw/zinc/08/31/82/796083182.db2.gz XHWAUGLIBKLJHT-CQSZACIVSA-N 1 2 296.374 1.470 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn2cc(C)ccc2n1 ZINC001038412754 796083193 /nfs/dbraw/zinc/08/31/93/796083193.db2.gz XHWAUGLIBKLJHT-CQSZACIVSA-N 1 2 296.374 1.470 20 30 CDEDLO Cc1nc(NC2CCN(C(=O)[C@H](C)C#N)CC2)cc[nH+]1 ZINC001057295654 796215811 /nfs/dbraw/zinc/21/58/11/796215811.db2.gz QLRXFUQGOQZIIM-SNVBAGLBSA-N 1 2 273.340 1.348 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccoc2CC)C1 ZINC001035358943 796286763 /nfs/dbraw/zinc/28/67/63/796286763.db2.gz OLIFKLJFHHPMNJ-CYBMUJFWSA-N 1 2 290.363 1.296 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccoc2CC)C1 ZINC001035358943 796286797 /nfs/dbraw/zinc/28/67/97/796286797.db2.gz OLIFKLJFHHPMNJ-CYBMUJFWSA-N 1 2 290.363 1.296 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@H]1CC)O2 ZINC001053664107 796315867 /nfs/dbraw/zinc/31/58/67/796315867.db2.gz KRISUKHJAIYGMB-RBSFLKMASA-N 1 2 292.423 1.958 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1nccc2ccsc21 ZINC001038370131 796348114 /nfs/dbraw/zinc/34/81/14/796348114.db2.gz ZVRVYANEDYZFJT-GFCCVEGCSA-N 1 2 285.372 1.734 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nccc2ccsc21 ZINC001038370131 796348122 /nfs/dbraw/zinc/34/81/22/796348122.db2.gz ZVRVYANEDYZFJT-GFCCVEGCSA-N 1 2 285.372 1.734 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2=CCCC2)C1 ZINC001035336498 796363293 /nfs/dbraw/zinc/36/32/93/796363293.db2.gz XPCKMSHSXDQTCF-CYBMUJFWSA-N 1 2 250.342 1.100 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C2=CCCC2)C1 ZINC001035336498 796363303 /nfs/dbraw/zinc/36/33/03/796363303.db2.gz XPCKMSHSXDQTCF-CYBMUJFWSA-N 1 2 250.342 1.100 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ncoc1CC ZINC001050850875 796367966 /nfs/dbraw/zinc/36/79/66/796367966.db2.gz PDGFGJHZMBTYEO-LBPRGKRZSA-N 1 2 293.367 1.244 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ncoc1CC ZINC001050850875 796367973 /nfs/dbraw/zinc/36/79/73/796367973.db2.gz PDGFGJHZMBTYEO-LBPRGKRZSA-N 1 2 293.367 1.244 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001034087056 796368137 /nfs/dbraw/zinc/36/81/37/796368137.db2.gz GYRRSVSEPSBBAR-STQMWFEESA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001034087056 796368143 /nfs/dbraw/zinc/36/81/43/796368143.db2.gz GYRRSVSEPSBBAR-STQMWFEESA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001046641643 796440799 /nfs/dbraw/zinc/44/07/99/796440799.db2.gz STEJSCMCISXHKF-GUIRCDHDSA-N 1 2 298.814 1.887 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001046641643 796440809 /nfs/dbraw/zinc/44/08/09/796440809.db2.gz STEJSCMCISXHKF-GUIRCDHDSA-N 1 2 298.814 1.887 20 30 CDEDLO N#CCCN1CC[NH+](C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173482579 912559148 /nfs/dbraw/zinc/55/91/48/912559148.db2.gz JEFJOLSZGOXTPF-UHFFFAOYSA-N 1 2 291.345 1.963 20 30 CDEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@@H](CC(=O)OCC)C1)C(=O)OC ZINC001173638639 912685343 /nfs/dbraw/zinc/68/53/43/912685343.db2.gz YRJOJCUHNCMAFW-UPJWGTAASA-N 1 2 281.352 1.263 20 30 CDEDLO CCC[C@](C)(C#N)[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173749859 912788651 /nfs/dbraw/zinc/78/86/51/912788651.db2.gz XCILGZJAWDLLMX-RWMBFGLXSA-N 1 2 262.361 1.829 20 30 CDEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cocn1 ZINC001272376041 912973454 /nfs/dbraw/zinc/97/34/54/912973454.db2.gz YHWSHMTVGQWTOC-HNNXBMFYSA-N 1 2 273.336 1.265 20 30 CDEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cocn1 ZINC001272376041 912973459 /nfs/dbraw/zinc/97/34/59/912973459.db2.gz YHWSHMTVGQWTOC-HNNXBMFYSA-N 1 2 273.336 1.265 20 30 CDEDLO C=CCN(CC[N@@H+]1C[C@@H]2C[C@H]1CO2)C(=O)OCC ZINC001209021807 894425967 /nfs/dbraw/zinc/42/59/67/894425967.db2.gz FIGSWVSUCNERAD-RYUDHWBXSA-N 1 2 254.330 1.104 20 30 CDEDLO C=CCN(CC[N@H+]1C[C@@H]2C[C@H]1CO2)C(=O)OCC ZINC001209021807 894425973 /nfs/dbraw/zinc/42/59/73/894425973.db2.gz FIGSWVSUCNERAD-RYUDHWBXSA-N 1 2 254.330 1.104 20 30 CDEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1ccccc1)C2 ZINC001272595013 913915550 /nfs/dbraw/zinc/91/55/50/913915550.db2.gz VOHLNQYQJZAECA-UHFFFAOYSA-N 1 2 286.375 1.676 20 30 CDEDLO N#Cc1cc(C(=O)NCC[NH2+]Cc2ncc(C3CC3)o2)c[nH]1 ZINC001125987725 900342272 /nfs/dbraw/zinc/34/22/72/900342272.db2.gz BHVVRQUAIHARBC-UHFFFAOYSA-N 1 2 299.334 1.271 20 30 CDEDLO CC(C)C#CC(=O)N1CC[C@H]2OCC[N@H+](CCCF)[C@H]2C1 ZINC001177019851 914438468 /nfs/dbraw/zinc/43/84/68/914438468.db2.gz STBONVGJTXSQPA-LSDHHAIUSA-N 1 2 296.386 1.307 20 30 CDEDLO CC(C)C#CC(=O)N1CC[C@H]2OCC[N@@H+](CCCF)[C@H]2C1 ZINC001177019851 914438473 /nfs/dbraw/zinc/43/84/73/914438473.db2.gz STBONVGJTXSQPA-LSDHHAIUSA-N 1 2 296.386 1.307 20 30 CDEDLO C#CCCCC(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001126339377 901800189 /nfs/dbraw/zinc/80/01/89/901800189.db2.gz WXVHSFLBEVLBJU-LBPRGKRZSA-N 1 2 263.341 1.553 20 30 CDEDLO N#CCCNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000426453327 902591180 /nfs/dbraw/zinc/59/11/80/902591180.db2.gz FJEIKLZFSKWASD-UHFFFAOYSA-N 1 2 289.383 1.999 20 30 CDEDLO CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001089980314 921213125 /nfs/dbraw/zinc/21/31/25/921213125.db2.gz LJLMSCLHOOPNJU-CABCVRRESA-N 1 2 287.363 1.020 20 30 CDEDLO CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001089980314 921213131 /nfs/dbraw/zinc/21/31/31/921213131.db2.gz LJLMSCLHOOPNJU-CABCVRRESA-N 1 2 287.363 1.020 20 30 CDEDLO C=C(C)C(=O)OCCNc1ccc(Cn2cc[nH+]c2)cn1 ZINC001168070926 906659850 /nfs/dbraw/zinc/65/98/50/906659850.db2.gz JUGMGXWFXOVGLA-UHFFFAOYSA-N 1 2 286.335 1.858 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccns2)C[C@H]1OC ZINC001212022573 908253358 /nfs/dbraw/zinc/25/33/58/908253358.db2.gz XNSQJLRSQAIFTD-CHWSQXEVSA-N 1 2 295.408 1.425 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ccns2)C[C@H]1OC ZINC001212022573 908253375 /nfs/dbraw/zinc/25/33/75/908253375.db2.gz XNSQJLRSQAIFTD-CHWSQXEVSA-N 1 2 295.408 1.425 20 30 CDEDLO C=CCCCNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000922250286 921416179 /nfs/dbraw/zinc/41/61/79/921416179.db2.gz HVRJZKCIUUNQQP-CYBMUJFWSA-N 1 2 269.389 1.363 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(OC)no2)C1 ZINC001189317814 921428376 /nfs/dbraw/zinc/42/83/76/921428376.db2.gz FURKCCLJCVTSFX-GFCCVEGCSA-N 1 2 293.367 1.682 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(OC)no2)C1 ZINC001189317814 921428381 /nfs/dbraw/zinc/42/83/81/921428381.db2.gz FURKCCLJCVTSFX-GFCCVEGCSA-N 1 2 293.367 1.682 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168717623 921433148 /nfs/dbraw/zinc/43/31/48/921433148.db2.gz BKTXHWMCHXIATL-VXGBXAGGSA-N 1 2 261.756 1.605 20 30 CDEDLO CC(C)[NH+]1CC(Nc2ncc(Br)nc2C#N)C1 ZINC001168314482 908985471 /nfs/dbraw/zinc/98/54/71/908985471.db2.gz OEMIHFXHOJIUAU-UHFFFAOYSA-N 1 2 296.172 1.615 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC001093504392 909924880 /nfs/dbraw/zinc/92/48/80/909924880.db2.gz OFJKKQCEOYTADB-OAHLLOKOSA-N 1 2 294.395 1.043 20 30 CDEDLO CCN(C(=O)[C@H](C)C#N)[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102786585 910312352 /nfs/dbraw/zinc/31/23/52/910312352.db2.gz FQKAZECPHNBTIE-YPMHNXCESA-N 1 2 287.367 1.372 20 30 CDEDLO C=CCn1cccc1C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001094221898 910392253 /nfs/dbraw/zinc/39/22/53/910392253.db2.gz TXSZPPQABAIKJW-UHFFFAOYSA-N 1 2 285.351 1.614 20 30 CDEDLO C=CC[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)OC)C1)C(=O)OC ZINC001172594614 911760144 /nfs/dbraw/zinc/76/01/44/911760144.db2.gz BQXJODDMNFONTM-TUAOUCFPSA-N 1 2 269.341 1.426 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2nc(C)sc2C)C1 ZINC001030528974 911978360 /nfs/dbraw/zinc/97/83/60/911978360.db2.gz ONUUEZIZNUTSPY-UHFFFAOYSA-N 1 2 279.409 1.679 20 30 CDEDLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(C)(C)C#N)CC1 ZINC001172883917 912044205 /nfs/dbraw/zinc/04/42/05/912044205.db2.gz XEOPTDPYMLLYRS-UHFFFAOYSA-N 1 2 281.400 1.684 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc(NC(C)=O)cc2)C1 ZINC001030624985 912188312 /nfs/dbraw/zinc/18/83/12/912188312.db2.gz DXMNSMYSTSEQCC-UHFFFAOYSA-N 1 2 299.374 1.011 20 30 CDEDLO CCN(C(=O)[C@H](C#N)Cc1cccs1)C1C[NH+](C)C1 ZINC001177911505 915020941 /nfs/dbraw/zinc/02/09/41/915020941.db2.gz GIHTWOSWXZVPSG-NSHDSACASA-N 1 2 277.393 1.593 20 30 CDEDLO COc1cccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1C#N ZINC001178117839 915181910 /nfs/dbraw/zinc/18/19/10/915181910.db2.gz JFHQTFNHIWQWCS-LLVKDONJSA-N 1 2 296.330 1.964 20 30 CDEDLO C#CCCCCC(=O)NC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001097766359 936377019 /nfs/dbraw/zinc/37/70/19/936377019.db2.gz LBNRHDKBDKFLIA-LBPRGKRZSA-N 1 2 274.368 1.895 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1c[nH]nc1CC ZINC001485324170 916844471 /nfs/dbraw/zinc/84/44/71/916844471.db2.gz XKIUNOZUXPRZRG-SNVBAGLBSA-N 1 2 284.791 1.775 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1c[nH]nc1CC ZINC001485324170 916844484 /nfs/dbraw/zinc/84/44/84/916844484.db2.gz XKIUNOZUXPRZRG-SNVBAGLBSA-N 1 2 284.791 1.775 20 30 CDEDLO Cc1nc(C#N)c(NC(=O)Cc2cc[nH+]c(N)c2)o1 ZINC001181240523 916906927 /nfs/dbraw/zinc/90/69/27/916906927.db2.gz PRVXYHDIKAYUBP-UHFFFAOYSA-N 1 2 257.253 1.013 20 30 CDEDLO N#Cc1cc(N)c(NC(=O)Cc2cc[nH+]c(N)c2)cc1C#N ZINC001181262845 916952005 /nfs/dbraw/zinc/95/20/05/916952005.db2.gz AUUXCCGZRSNBBM-UHFFFAOYSA-N 1 2 292.302 1.171 20 30 CDEDLO COc1ccc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)c(C#N)c1 ZINC001137704518 936393096 /nfs/dbraw/zinc/39/30/96/936393096.db2.gz JPNAGGXXQRKYBB-HNNXBMFYSA-N 1 2 287.363 1.619 20 30 CDEDLO COc1ccc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)c(C#N)c1 ZINC001137704518 936393099 /nfs/dbraw/zinc/39/30/99/936393099.db2.gz JPNAGGXXQRKYBB-HNNXBMFYSA-N 1 2 287.363 1.619 20 30 CDEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cn(C)cn2)C1=O ZINC001272733831 917730209 /nfs/dbraw/zinc/73/02/09/917730209.db2.gz POKHJXVFSSKCKI-INIZCTEOSA-N 1 2 288.395 1.563 20 30 CDEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cn(C)cn2)C1=O ZINC001272733831 917730218 /nfs/dbraw/zinc/73/02/18/917730218.db2.gz POKHJXVFSSKCKI-INIZCTEOSA-N 1 2 288.395 1.563 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C23CCC(CO)(CC2)CC3)CC1 ZINC001182706339 918080457 /nfs/dbraw/zinc/08/04/57/918080457.db2.gz ZVJNTJPQXVRKSK-UHFFFAOYSA-N 1 2 292.423 1.650 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc(C)c[nH]1)C2 ZINC001098005837 936505557 /nfs/dbraw/zinc/50/55/57/936505557.db2.gz GJTXZNMEKIDQIA-UTUOFQBUSA-N 1 2 294.786 1.806 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc(C)c[nH]1)C2 ZINC001098005837 936505558 /nfs/dbraw/zinc/50/55/58/936505558.db2.gz GJTXZNMEKIDQIA-UTUOFQBUSA-N 1 2 294.786 1.806 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)/C=C\c2ccco2)C1 ZINC001107698337 918634139 /nfs/dbraw/zinc/63/41/39/918634139.db2.gz OOVORTMIKHPLCX-MWWKQMNYSA-N 1 2 290.363 1.686 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)/C=C\c2ccco2)C1 ZINC001107698337 918634151 /nfs/dbraw/zinc/63/41/51/918634151.db2.gz OOVORTMIKHPLCX-MWWKQMNYSA-N 1 2 290.363 1.686 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CC2CCCC2)C1 ZINC001107706456 918646776 /nfs/dbraw/zinc/64/67/76/918646776.db2.gz QDZKEFLIDBUJGH-MRXNPFEDSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CC2CCCC2)C1 ZINC001107706456 918646787 /nfs/dbraw/zinc/64/67/87/918646787.db2.gz QDZKEFLIDBUJGH-MRXNPFEDSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCCC)C1 ZINC001107739687 918717449 /nfs/dbraw/zinc/71/74/49/918717449.db2.gz OJXGDDPXHJCMOG-HNNXBMFYSA-N 1 2 268.401 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCCC)C1 ZINC001107739687 918717459 /nfs/dbraw/zinc/71/74/59/918717459.db2.gz OJXGDDPXHJCMOG-HNNXBMFYSA-N 1 2 268.401 1.960 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCOCC)C1 ZINC001107760982 918746903 /nfs/dbraw/zinc/74/69/03/918746903.db2.gz JGHCKYTUSJTDJZ-INIZCTEOSA-N 1 2 296.411 1.034 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCOCC)C1 ZINC001107760982 918746912 /nfs/dbraw/zinc/74/69/12/918746912.db2.gz JGHCKYTUSJTDJZ-INIZCTEOSA-N 1 2 296.411 1.034 20 30 CDEDLO Cc1ccc(C(=NC(=O)CCc2ccc(N)[nH+]c2)NO)nc1 ZINC001183934763 918749505 /nfs/dbraw/zinc/74/95/05/918749505.db2.gz BPANUGZNGFGQPE-UHFFFAOYSA-N 1 2 299.334 1.252 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cncs2)C1 ZINC001107777660 918769804 /nfs/dbraw/zinc/76/98/04/918769804.db2.gz UCOFYTGNKUGWEC-ZDUSSCGKSA-N 1 2 281.381 1.150 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cncs2)C1 ZINC001107777660 918769808 /nfs/dbraw/zinc/76/98/08/918769808.db2.gz UCOFYTGNKUGWEC-ZDUSSCGKSA-N 1 2 281.381 1.150 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)OCC)C1 ZINC001107786310 918778955 /nfs/dbraw/zinc/77/89/55/918778955.db2.gz VBFREPCCPJKNIR-DZGCQCFKSA-N 1 2 284.400 1.195 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)OCC)C1 ZINC001107786310 918778964 /nfs/dbraw/zinc/77/89/64/918778964.db2.gz VBFREPCCPJKNIR-DZGCQCFKSA-N 1 2 284.400 1.195 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)C(C)C)C1 ZINC001107806404 918803719 /nfs/dbraw/zinc/80/37/19/918803719.db2.gz DMQHTSCRRBELCO-DOTOQJQBSA-N 1 2 294.439 1.899 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)C(C)C)C1 ZINC001107806404 918803727 /nfs/dbraw/zinc/80/37/27/918803727.db2.gz DMQHTSCRRBELCO-DOTOQJQBSA-N 1 2 294.439 1.899 20 30 CDEDLO C=CCOCCCC(=O)NC[C@]1(C)C[N@H+](CC=C)CCO1 ZINC001107838497 918853369 /nfs/dbraw/zinc/85/33/69/918853369.db2.gz BOQRWCJRLYMDAY-MRXNPFEDSA-N 1 2 296.411 1.362 20 30 CDEDLO C=CCOCCCC(=O)NC[C@]1(C)C[N@@H+](CC=C)CCO1 ZINC001107838497 918853386 /nfs/dbraw/zinc/85/33/86/918853386.db2.gz BOQRWCJRLYMDAY-MRXNPFEDSA-N 1 2 296.411 1.362 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1OCC[C@H]1CC ZINC001032454855 919149777 /nfs/dbraw/zinc/14/97/77/919149777.db2.gz MVEARTNZJUUEAV-QPSCCSFWSA-N 1 2 276.380 1.110 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1OCC[C@H]1CC ZINC001032454855 919149785 /nfs/dbraw/zinc/14/97/85/919149785.db2.gz MVEARTNZJUUEAV-QPSCCSFWSA-N 1 2 276.380 1.110 20 30 CDEDLO Cc1c(C)n(-c2ccc[nH+]c2N2CCOCC2)c(N)c1C#N ZINC001212352000 919239538 /nfs/dbraw/zinc/23/95/38/919239538.db2.gz CKYYHKMNTHBAEE-UHFFFAOYSA-N 1 2 297.362 1.780 20 30 CDEDLO C#Cc1cncc(C(=O)NC[C@@H]2COCC[N@H+]2CCC=C)c1 ZINC001051108084 936568740 /nfs/dbraw/zinc/56/87/40/936568740.db2.gz YTQVTWZYPBENPH-MRXNPFEDSA-N 1 2 299.374 1.070 20 30 CDEDLO C#Cc1cncc(C(=O)NC[C@@H]2COCC[N@@H+]2CCC=C)c1 ZINC001051108084 936568741 /nfs/dbraw/zinc/56/87/41/936568741.db2.gz YTQVTWZYPBENPH-MRXNPFEDSA-N 1 2 299.374 1.070 20 30 CDEDLO C=C(C)CCC(=O)NC[C@]1(C)C[N@H+](CC#CC)CCO1 ZINC001107976561 919435765 /nfs/dbraw/zinc/43/57/65/919435765.db2.gz PGTWTVPVTKJCFB-MRXNPFEDSA-N 1 2 278.396 1.573 20 30 CDEDLO C=C(C)CCC(=O)NC[C@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001107976561 919435772 /nfs/dbraw/zinc/43/57/72/919435772.db2.gz PGTWTVPVTKJCFB-MRXNPFEDSA-N 1 2 278.396 1.573 20 30 CDEDLO C=CCC(CC=C)C(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001128081597 919752717 /nfs/dbraw/zinc/75/27/17/919752717.db2.gz UYELONXGPDECIX-UHFFFAOYSA-N 1 2 288.395 1.759 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)OC)C2 ZINC001110376555 919902661 /nfs/dbraw/zinc/90/26/61/919902661.db2.gz XCXYZRSDUQHMOJ-LPWJVIDDSA-N 1 2 286.803 1.885 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)OC)C2 ZINC001110376555 919902665 /nfs/dbraw/zinc/90/26/65/919902665.db2.gz XCXYZRSDUQHMOJ-LPWJVIDDSA-N 1 2 286.803 1.885 20 30 CDEDLO C=CCCCC(=O)N[C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001078036300 920069463 /nfs/dbraw/zinc/06/94/63/920069463.db2.gz OTAGEPFHDKLRQJ-LBPRGKRZSA-N 1 2 292.383 1.320 20 30 CDEDLO CC(=O)N1CCC2(C[NH+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001139649207 936633619 /nfs/dbraw/zinc/63/36/19/936633619.db2.gz RRYLIDUVZPARBD-UHFFFAOYSA-N 1 2 287.338 1.752 20 30 CDEDLO Cc1ccc(C[NH+]2CCN(c3ncncn3)CC2)cc1C#N ZINC001139726981 936640128 /nfs/dbraw/zinc/64/01/28/936640128.db2.gz FEKWQDKNVMABTN-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO CNC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)cc(C#N)c2)C1 ZINC001139878634 936655734 /nfs/dbraw/zinc/65/57/34/936655734.db2.gz QQOOAWABBGBHFO-AWEZNQCLSA-N 1 2 290.342 1.591 20 30 CDEDLO CNC(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)cc(C#N)c2)C1 ZINC001139878634 936655735 /nfs/dbraw/zinc/65/57/35/936655735.db2.gz QQOOAWABBGBHFO-AWEZNQCLSA-N 1 2 290.342 1.591 20 30 CDEDLO CSc1ncc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(N)n1 ZINC001140251147 936692101 /nfs/dbraw/zinc/69/21/01/936692101.db2.gz YRHHDUSKBPSDEO-JTQLQIEISA-N 1 2 277.397 1.906 20 30 CDEDLO CSc1ncc(C[N@H+]2CCC[C@@H](CC#N)C2)c(N)n1 ZINC001140251147 936692103 /nfs/dbraw/zinc/69/21/03/936692103.db2.gz YRHHDUSKBPSDEO-JTQLQIEISA-N 1 2 277.397 1.906 20 30 CDEDLO C=CCC1(S(=O)(=O)N2CC[NH+](C(C)C)CC2)CC1 ZINC001190766966 922184615 /nfs/dbraw/zinc/18/46/15/922184615.db2.gz ZQYOWFYJDKSJKH-UHFFFAOYSA-N 1 2 272.414 1.451 20 30 CDEDLO C[C@@]1(CO)C[N@H+](Cc2cc(F)c(C#N)c(F)c2)CC[C@H]1O ZINC001140753123 936750772 /nfs/dbraw/zinc/75/07/72/936750772.db2.gz YJKHTRDAXIITMP-CABCVRRESA-N 1 2 296.317 1.402 20 30 CDEDLO C[C@@]1(CO)C[N@@H+](Cc2cc(F)c(C#N)c(F)c2)CC[C@H]1O ZINC001140753123 936750773 /nfs/dbraw/zinc/75/07/73/936750773.db2.gz YJKHTRDAXIITMP-CABCVRRESA-N 1 2 296.317 1.402 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)C(F)=C(C)C)[C@@H](n2ccnn2)C1 ZINC001128883974 922545897 /nfs/dbraw/zinc/54/58/97/922545897.db2.gz SBEWEZGRNUJUIO-NEPJUHHUSA-N 1 2 293.346 1.069 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)C(F)=C(C)C)[C@@H](n2ccnn2)C1 ZINC001128883974 922545903 /nfs/dbraw/zinc/54/59/03/922545903.db2.gz SBEWEZGRNUJUIO-NEPJUHHUSA-N 1 2 293.346 1.069 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](F)CC)C1 ZINC001108121598 922554653 /nfs/dbraw/zinc/55/46/53/922554653.db2.gz CONOGPDWALWHGC-WCQYABFASA-N 1 2 258.337 1.128 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](F)CC)C1 ZINC001108121598 922554639 /nfs/dbraw/zinc/55/46/39/922554639.db2.gz CONOGPDWALWHGC-WCQYABFASA-N 1 2 258.337 1.128 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cn[nH]n2)C1 ZINC001098918553 936768288 /nfs/dbraw/zinc/76/82/88/936768288.db2.gz RYXKBWMANQSYSW-GWCFXTLKSA-N 1 2 295.774 1.142 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cn[nH]n2)C1 ZINC001098918553 936768290 /nfs/dbraw/zinc/76/82/90/936768290.db2.gz RYXKBWMANQSYSW-GWCFXTLKSA-N 1 2 295.774 1.142 20 30 CDEDLO C#CCCCC(=O)NCC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001099014835 936774330 /nfs/dbraw/zinc/77/43/30/936774330.db2.gz DUFKEEOVRCCNST-LBPRGKRZSA-N 1 2 274.368 1.895 20 30 CDEDLO N#CCCN1CC[NH+](Cc2ccnc(OC(F)F)c2)CC1 ZINC001237614299 944888631 /nfs/dbraw/zinc/88/86/31/944888631.db2.gz FHWLCDAFZCLAMY-UHFFFAOYSA-N 1 2 296.321 1.714 20 30 CDEDLO N#CCCN1CC[NH+](Cc2ccc3cccc(O)c3n2)CC1 ZINC001141023626 936793530 /nfs/dbraw/zinc/79/35/30/936793530.db2.gz RBAXTSPVUDMTPC-UHFFFAOYSA-N 1 2 296.374 1.972 20 30 CDEDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc(O)c(C#N)c1 ZINC001193505363 923753462 /nfs/dbraw/zinc/75/34/62/923753462.db2.gz FJJNLKOYZVYBGK-WDEREUQCSA-N 1 2 273.336 1.428 20 30 CDEDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc(O)c(C#N)c1 ZINC001193505363 923753477 /nfs/dbraw/zinc/75/34/77/923753477.db2.gz FJJNLKOYZVYBGK-WDEREUQCSA-N 1 2 273.336 1.428 20 30 CDEDLO CN(CC[NH+]1CCCC1)C(=O)c1cccc(C#N)c1O ZINC001193647289 923838454 /nfs/dbraw/zinc/83/84/54/923838454.db2.gz YRBGPKKNAVBRJM-UHFFFAOYSA-N 1 2 273.336 1.432 20 30 CDEDLO C[N@@H+]1CCC[C@](C)(NC(=O)c2cccc(C#N)c2O)C1 ZINC001193659436 923847070 /nfs/dbraw/zinc/84/70/70/923847070.db2.gz MPZZTNJWCSMPBA-HNNXBMFYSA-N 1 2 273.336 1.478 20 30 CDEDLO C[N@H+]1CCC[C@](C)(NC(=O)c2cccc(C#N)c2O)C1 ZINC001193659436 923847078 /nfs/dbraw/zinc/84/70/78/923847078.db2.gz MPZZTNJWCSMPBA-HNNXBMFYSA-N 1 2 273.336 1.478 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC)n2)C1 ZINC001079662189 924406553 /nfs/dbraw/zinc/40/65/53/924406553.db2.gz KRTAVKNKURUUHW-BXKDBHETSA-N 1 2 297.790 1.101 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC)n2)C1 ZINC001079662189 924406561 /nfs/dbraw/zinc/40/65/61/924406561.db2.gz KRTAVKNKURUUHW-BXKDBHETSA-N 1 2 297.790 1.101 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H](C)COC)CC1 ZINC001195232971 924496170 /nfs/dbraw/zinc/49/61/70/924496170.db2.gz OYJYCMWGLVAIKG-LLVKDONJSA-N 1 2 274.792 1.556 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H](C)COC)CC1 ZINC001195232971 924496164 /nfs/dbraw/zinc/49/61/64/924496164.db2.gz OYJYCMWGLVAIKG-LLVKDONJSA-N 1 2 274.792 1.556 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)CCC2CC2)CC1 ZINC001195337306 924551919 /nfs/dbraw/zinc/55/19/19/924551919.db2.gz BPQZIRKEXCYIHM-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)CCC2CC2)CC1 ZINC001195337306 924551928 /nfs/dbraw/zinc/55/19/28/924551928.db2.gz BPQZIRKEXCYIHM-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2oncc2C)C1 ZINC001080709781 924626009 /nfs/dbraw/zinc/62/60/09/924626009.db2.gz YASJSKNNZGCASL-MWLCHTKSSA-N 1 2 283.759 1.786 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2oncc2C)C1 ZINC001080709781 924626017 /nfs/dbraw/zinc/62/60/17/924626017.db2.gz YASJSKNNZGCASL-MWLCHTKSSA-N 1 2 283.759 1.786 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCOC3)[C@@H]2C1 ZINC001084228404 925194501 /nfs/dbraw/zinc/19/45/01/925194501.db2.gz FZHKGFAYEUFBQB-MGPQQGTHSA-N 1 2 298.814 1.698 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCOC3)[C@@H]2C1 ZINC001084228404 925194502 /nfs/dbraw/zinc/19/45/02/925194502.db2.gz FZHKGFAYEUFBQB-MGPQQGTHSA-N 1 2 298.814 1.698 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101512190 936980665 /nfs/dbraw/zinc/98/06/65/936980665.db2.gz HHFQVTZLXSUZHH-LBPRGKRZSA-N 1 2 292.383 1.637 20 30 CDEDLO N#C[C@H]1CCCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001142219573 936991911 /nfs/dbraw/zinc/99/19/11/936991911.db2.gz WFLCEABNZSKQOS-GFCCVEGCSA-N 1 2 289.404 1.868 20 30 CDEDLO N#C[C@H]1CCCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001142219573 936991912 /nfs/dbraw/zinc/99/19/12/936991912.db2.gz WFLCEABNZSKQOS-GFCCVEGCSA-N 1 2 289.404 1.868 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCF)[C@H](O)C1 ZINC001099952541 925817526 /nfs/dbraw/zinc/81/75/26/925817526.db2.gz VBQXNXPJVNEBRU-GHMZBOCLSA-N 1 2 278.755 1.040 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCF)[C@H](O)C1 ZINC001099952541 925817538 /nfs/dbraw/zinc/81/75/38/925817538.db2.gz VBQXNXPJVNEBRU-GHMZBOCLSA-N 1 2 278.755 1.040 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001142633135 937043163 /nfs/dbraw/zinc/04/31/63/937043163.db2.gz SBTBLCSWIWXRJO-CQSZACIVSA-N 1 2 285.347 1.990 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)no1 ZINC001085484281 926054753 /nfs/dbraw/zinc/05/47/53/926054753.db2.gz ZRQUWBRVBAUDFE-GFCCVEGCSA-N 1 2 261.325 1.153 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)no1 ZINC001085484281 926054760 /nfs/dbraw/zinc/05/47/60/926054760.db2.gz ZRQUWBRVBAUDFE-GFCCVEGCSA-N 1 2 261.325 1.153 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)noc1CCC ZINC001085592323 926191968 /nfs/dbraw/zinc/19/19/68/926191968.db2.gz HOCJAZGGWDIRAS-ZDUSSCGKSA-N 1 2 289.379 1.715 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn(C2CCC2)c1 ZINC001085594374 926191937 /nfs/dbraw/zinc/19/19/37/926191937.db2.gz FFEPAYDMEUPHMP-HNNXBMFYSA-N 1 2 286.379 1.388 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(C2CCC2)c1 ZINC001085594374 926191946 /nfs/dbraw/zinc/19/19/46/926191946.db2.gz FFEPAYDMEUPHMP-HNNXBMFYSA-N 1 2 286.379 1.388 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)noc1CCC ZINC001085592323 926191977 /nfs/dbraw/zinc/19/19/77/926191977.db2.gz HOCJAZGGWDIRAS-ZDUSSCGKSA-N 1 2 289.379 1.715 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn(C(C)(C)C)n1 ZINC001085625292 926226752 /nfs/dbraw/zinc/22/67/52/926226752.db2.gz MBTQWAVNTPABII-ZDUSSCGKSA-N 1 2 288.395 1.418 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn(C(C)(C)C)n1 ZINC001085625292 926226759 /nfs/dbraw/zinc/22/67/59/926226759.db2.gz MBTQWAVNTPABII-ZDUSSCGKSA-N 1 2 288.395 1.418 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)ccc1OC ZINC001085705512 926309715 /nfs/dbraw/zinc/30/97/15/926309715.db2.gz RYDVNTMJXLBKAN-AWEZNQCLSA-N 1 2 286.375 1.783 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)ccc1OC ZINC001085705512 926309724 /nfs/dbraw/zinc/30/97/24/926309724.db2.gz RYDVNTMJXLBKAN-AWEZNQCLSA-N 1 2 286.375 1.783 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(Cl)cn1C ZINC001085710334 926316256 /nfs/dbraw/zinc/31/62/56/926316256.db2.gz GNBPUWKCKGKVAJ-LBPRGKRZSA-N 1 2 279.771 1.458 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(Cl)cn1C ZINC001085710334 926316267 /nfs/dbraw/zinc/31/62/67/926316267.db2.gz GNBPUWKCKGKVAJ-LBPRGKRZSA-N 1 2 279.771 1.458 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)co1 ZINC001085773676 926382981 /nfs/dbraw/zinc/38/29/81/926382981.db2.gz JNXDYACCNQDDAS-CYBMUJFWSA-N 1 2 260.337 1.758 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)co1 ZINC001085773676 926382990 /nfs/dbraw/zinc/38/29/90/926382990.db2.gz JNXDYACCNQDDAS-CYBMUJFWSA-N 1 2 260.337 1.758 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(N[C@H]3CCS(=O)(=O)C3)c2c1 ZINC001155057174 926467109 /nfs/dbraw/zinc/46/71/09/926467109.db2.gz ZVCXRMXHRWDOPP-LBPRGKRZSA-N 1 2 287.344 1.705 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(C)C)nn1C ZINC001085904294 926495000 /nfs/dbraw/zinc/49/50/00/926495000.db2.gz BIONOTQRPURAJG-ZDUSSCGKSA-N 1 2 288.395 1.323 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(C)C)nn1C ZINC001085904294 926495009 /nfs/dbraw/zinc/49/50/09/926495009.db2.gz BIONOTQRPURAJG-ZDUSSCGKSA-N 1 2 288.395 1.323 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cncnc1C1CC1 ZINC001085952711 926536893 /nfs/dbraw/zinc/53/68/93/926536893.db2.gz JPAPOIVVOXZTON-ZDUSSCGKSA-N 1 2 284.363 1.134 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cncnc1C1CC1 ZINC001085952711 926536897 /nfs/dbraw/zinc/53/68/97/926536897.db2.gz JPAPOIVVOXZTON-ZDUSSCGKSA-N 1 2 284.363 1.134 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC23CCC3)C1 ZINC001108248480 926771794 /nfs/dbraw/zinc/77/17/94/926771794.db2.gz KDVOPOBTXNAYHE-UKRRQHHQSA-N 1 2 278.396 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC23CCC3)C1 ZINC001108248480 926771801 /nfs/dbraw/zinc/77/18/01/926771801.db2.gz KDVOPOBTXNAYHE-UKRRQHHQSA-N 1 2 278.396 1.570 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(CC)on2)C1 ZINC001108349217 927416763 /nfs/dbraw/zinc/41/67/63/927416763.db2.gz ACPSKHORUVPDQR-HNNXBMFYSA-N 1 2 293.367 1.244 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(CC)on2)C1 ZINC001108349217 927416770 /nfs/dbraw/zinc/41/67/70/927416770.db2.gz ACPSKHORUVPDQR-HNNXBMFYSA-N 1 2 293.367 1.244 20 30 CDEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)OCC ZINC001168983656 927571599 /nfs/dbraw/zinc/57/15/99/927571599.db2.gz KIPBYPBJLKSPFN-FMCLSXCISA-N 1 2 282.340 1.529 20 30 CDEDLO C=CCO[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001153134141 927579914 /nfs/dbraw/zinc/57/99/14/927579914.db2.gz AFKGJUUPBFZGRI-NWDGAFQWSA-N 1 2 281.356 1.341 20 30 CDEDLO CC[N@H+](Cc1ccon1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207600 928166049 /nfs/dbraw/zinc/16/60/49/928166049.db2.gz LRTQSWHCJJKZEW-CYBMUJFWSA-N 1 2 277.368 1.661 20 30 CDEDLO CC[N@@H+](Cc1ccon1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207600 928166055 /nfs/dbraw/zinc/16/60/55/928166055.db2.gz LRTQSWHCJJKZEW-CYBMUJFWSA-N 1 2 277.368 1.661 20 30 CDEDLO C=C[C@@H](CO)Nc1nc2[nH]c(C(=O)OCC)cc2c[nH+]1 ZINC001169779786 928430564 /nfs/dbraw/zinc/43/05/64/928430564.db2.gz ZCTJXLWSRFUIIR-VIFPVBQESA-N 1 2 276.296 1.045 20 30 CDEDLO O=C1C=C2C[N@H+]([C@@H]3CCCC4(C3)OCCO4)CC[C@@H]2S1 ZINC001169934444 928525939 /nfs/dbraw/zinc/52/59/39/928525939.db2.gz MSEJFPMVPZPLQT-OLZOCXBDSA-N 1 2 295.404 1.946 20 30 CDEDLO O=C1C=C2C[N@@H+]([C@@H]3CCCC4(C3)OCCO4)CC[C@@H]2S1 ZINC001169934444 928525945 /nfs/dbraw/zinc/52/59/45/928525945.db2.gz MSEJFPMVPZPLQT-OLZOCXBDSA-N 1 2 295.404 1.946 20 30 CDEDLO CC#CCCCC(=O)N[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001108656949 928593233 /nfs/dbraw/zinc/59/32/33/928593233.db2.gz XYFUOILAYCXNFD-LBPRGKRZSA-N 1 2 274.368 1.895 20 30 CDEDLO N#Cc1cc(Cl)nnc1NCc1cc[nH+]c(N)c1 ZINC001156755646 928957224 /nfs/dbraw/zinc/95/72/24/928957224.db2.gz GHRDSUDIZVTXIE-UHFFFAOYSA-N 1 2 260.688 1.591 20 30 CDEDLO C=C[C@@H](C(=O)NCC[NH2+]Cc1ncccn1)c1ccccc1 ZINC001151990472 937325543 /nfs/dbraw/zinc/32/55/43/937325543.db2.gz HPHTWJRNMRBWCK-OAHLLOKOSA-N 1 2 296.374 1.652 20 30 CDEDLO C=CCNC(=O)N1CCN(c2cc[nH+]c(OC)c2)CC1 ZINC001202569257 930311681 /nfs/dbraw/zinc/31/16/81/930311681.db2.gz YHFDAYAPDKFIAC-UHFFFAOYSA-N 1 2 276.340 1.108 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000884312293 930521106 /nfs/dbraw/zinc/52/11/06/930521106.db2.gz ARURXSWGEDNGQC-CRWXNKLISA-N 1 2 294.395 1.470 20 30 CDEDLO CN(CCCNC(=O)CCCC#N)c1cccc[nH+]1 ZINC001153120049 937421059 /nfs/dbraw/zinc/42/10/59/937421059.db2.gz WTNHWNXLHOJBJS-UHFFFAOYSA-N 1 2 260.341 1.718 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc3ccnn32)CC1 ZINC001153557859 937452370 /nfs/dbraw/zinc/45/23/70/937452370.db2.gz JQXLRWPSYSQMCA-UHFFFAOYSA-N 1 2 270.336 1.278 20 30 CDEDLO C#CCCN(CC(F)(F)F)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001116639279 937462193 /nfs/dbraw/zinc/46/21/93/937462193.db2.gz UGAQJLLNZJZBJG-SNVBAGLBSA-N 1 2 273.258 1.858 20 30 CDEDLO N#CCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CCOCC1 ZINC001274032554 931133792 /nfs/dbraw/zinc/13/37/92/931133792.db2.gz RVZVSBRXLGXVBI-HUUCEWRRSA-N 1 2 291.395 1.392 20 30 CDEDLO N#CCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CCOCC1 ZINC001274032554 931133796 /nfs/dbraw/zinc/13/37/96/931133796.db2.gz RVZVSBRXLGXVBI-HUUCEWRRSA-N 1 2 291.395 1.392 20 30 CDEDLO CC(C)CN1C[C@@]2(F)C[N@H+](CCCCC#N)C[C@@]2(F)C1=O ZINC001274043727 931141490 /nfs/dbraw/zinc/14/14/90/931141490.db2.gz UNCIABNJHREZQH-LSDHHAIUSA-N 1 2 299.365 1.911 20 30 CDEDLO CC(C)CN1C[C@@]2(F)C[N@@H+](CCCCC#N)C[C@@]2(F)C1=O ZINC001274043727 931141494 /nfs/dbraw/zinc/14/14/94/931141494.db2.gz UNCIABNJHREZQH-LSDHHAIUSA-N 1 2 299.365 1.911 20 30 CDEDLO C=C[C@H](O)C(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000823224392 931275743 /nfs/dbraw/zinc/27/57/43/931275743.db2.gz LODJLFQLQKHOEZ-JTQLQIEISA-N 1 2 269.370 1.470 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3[nH][nH]c(=O)c3c2)CC1 ZINC001154206958 937517145 /nfs/dbraw/zinc/51/71/45/937517145.db2.gz LLXVFGFDAVMXTI-UHFFFAOYSA-N 1 2 286.335 1.212 20 30 CDEDLO C#CCCCC(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001090973073 931653485 /nfs/dbraw/zinc/65/34/85/931653485.db2.gz CTEUIBUWWJSZKB-TZMCWYRMSA-N 1 2 286.379 1.847 20 30 CDEDLO Cc1nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001091241900 932044383 /nfs/dbraw/zinc/04/43/83/932044383.db2.gz DOTMPOFMFURIME-CYZMBNFOSA-N 1 2 287.367 1.784 20 30 CDEDLO Cc1cc(NC(=[NH2+])c2ccc(C(N)=O)cc2)nc2nc[nH]c21 ZINC001171252615 932125730 /nfs/dbraw/zinc/12/57/30/932125730.db2.gz MDAWGVRFNUSIEG-UHFFFAOYSA-N 1 2 294.318 1.402 20 30 CDEDLO N#Cc1cc(NC(=[NH2+])c2ccc(C(N)=O)cc2)cnc1F ZINC001171257085 932162693 /nfs/dbraw/zinc/16/26/93/932162693.db2.gz PZRXALUTSKTGCV-UHFFFAOYSA-N 1 2 283.266 1.228 20 30 CDEDLO C=CCOCC(=O)NCC1CC(Nc2cc[nH+]c(C)n2)C1 ZINC001092194388 932923456 /nfs/dbraw/zinc/92/34/56/932923456.db2.gz KWGXEZNKVVXPEK-UHFFFAOYSA-N 1 2 290.367 1.294 20 30 CDEDLO C#CCCOC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001118815106 937669606 /nfs/dbraw/zinc/66/96/06/937669606.db2.gz IRXVBWRAQPEOTH-CYBMUJFWSA-N 1 2 275.352 1.835 20 30 CDEDLO C=CCC1(O)CCN(C(=O)[C@@H](C)n2cc[nH+]c2)CC1 ZINC001119669613 937746181 /nfs/dbraw/zinc/74/61/81/937746181.db2.gz RFEAZOYUTSONCZ-GFCCVEGCSA-N 1 2 263.341 1.374 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(F)c1 ZINC001038029381 935334704 /nfs/dbraw/zinc/33/47/04/935334704.db2.gz ZQVRXZCAPMLBFC-CQSZACIVSA-N 1 2 260.312 1.653 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(F)c1 ZINC001038029381 935334712 /nfs/dbraw/zinc/33/47/12/935334712.db2.gz ZQVRXZCAPMLBFC-CQSZACIVSA-N 1 2 260.312 1.653 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)noc1C(C)C ZINC001038359056 935742022 /nfs/dbraw/zinc/74/20/22/935742022.db2.gz FABGRQCDRWRQKI-ZDUSSCGKSA-N 1 2 289.379 1.934 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)noc1C(C)C ZINC001038359056 935742026 /nfs/dbraw/zinc/74/20/26/935742026.db2.gz FABGRQCDRWRQKI-ZDUSSCGKSA-N 1 2 289.379 1.934 20 30 CDEDLO C#CCOCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001124132533 936289331 /nfs/dbraw/zinc/28/93/31/936289331.db2.gz PDAYVUQUMBXPST-UHFFFAOYSA-N 1 2 283.331 1.594 20 30 CDEDLO C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)Nc1ccc(C#N)nc1 ZINC001120713227 937828474 /nfs/dbraw/zinc/82/84/74/937828474.db2.gz ZSBGOLADLABIIA-NSHDSACASA-N 1 2 298.350 1.178 20 30 CDEDLO C=C(C)CN(C)c1nnc(Cc2[nH+]ccn2C)n1CC ZINC001121770841 937882372 /nfs/dbraw/zinc/88/23/72/937882372.db2.gz WGPLTRYMROYORB-UHFFFAOYSA-N 1 2 274.372 1.635 20 30 CDEDLO COc1ccc2ccnc(N3CC[NH2+]C[C@@H]3C#N)c2c1 ZINC001156327661 938352327 /nfs/dbraw/zinc/35/23/27/938352327.db2.gz JBQPVFZQFFZDJC-LBPRGKRZSA-N 1 2 268.320 1.545 20 30 CDEDLO Cc1cccc2ccnc(N3CC[NH2+]C[C@@H]3C#N)c12 ZINC001156333205 938353794 /nfs/dbraw/zinc/35/37/94/938353794.db2.gz WUUDLLKZWMRQBN-ZDUSSCGKSA-N 1 2 252.321 1.845 20 30 CDEDLO C[NH2+][C@H]1CCN1c1nc(C#N)ccc1NC(=O)C(C)(C)C ZINC001156657869 938402196 /nfs/dbraw/zinc/40/21/96/938402196.db2.gz FHIWJEYAZBFMCE-GFCCVEGCSA-N 1 2 287.367 1.693 20 30 CDEDLO CC[C@](C)(C#N)C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001156896811 938430383 /nfs/dbraw/zinc/43/03/83/938430383.db2.gz ACCDEDQEDSAOOC-CQSZACIVSA-N 1 2 260.341 1.845 20 30 CDEDLO C=CCNC(=O)c1cccnc1N(CC)CCn1cc[nH+]c1 ZINC001157467501 938497398 /nfs/dbraw/zinc/49/73/98/938497398.db2.gz WXDHZESRNXIIQS-UHFFFAOYSA-N 1 2 299.378 1.720 20 30 CDEDLO CSc1nc(Cl)c(C#N)c(NC2C[NH+](C(C)C)C2)n1 ZINC001157525032 938504476 /nfs/dbraw/zinc/50/44/76/938504476.db2.gz WBCAYEICAGOCQK-UHFFFAOYSA-N 1 2 297.815 1.650 20 30 CDEDLO Cc1ccc(CC#N)c(N[C@@H]2CCC[N@@H+](C3COC3)C2)n1 ZINC001157586108 938516097 /nfs/dbraw/zinc/51/60/97/938516097.db2.gz QUICJEVEEDYHEI-CQSZACIVSA-N 1 2 286.379 1.731 20 30 CDEDLO Cc1ccc(CC#N)c(N[C@@H]2CCC[N@H+](C3COC3)C2)n1 ZINC001157586108 938516099 /nfs/dbraw/zinc/51/60/99/938516099.db2.gz QUICJEVEEDYHEI-CQSZACIVSA-N 1 2 286.379 1.731 20 30 CDEDLO N#CCc1cc[nH+]c(N2CCC[C@@H](n3ccnn3)C2)c1 ZINC001157796436 938547398 /nfs/dbraw/zinc/54/73/98/938547398.db2.gz BKFOTRCKNOEYNB-CYBMUJFWSA-N 1 2 268.324 1.581 20 30 CDEDLO O=C(/C=C/c1ccc(F)cc1)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001158860625 938671787 /nfs/dbraw/zinc/67/17/87/938671787.db2.gz HCXAMTGDSAOYML-VUUYWXRKSA-N 1 2 299.305 1.346 20 30 CDEDLO C=CCOC(=O)[C@@H](N)CCCCNc1[nH+]cc(C)cc1N ZINC001159925161 938760877 /nfs/dbraw/zinc/76/08/77/938760877.db2.gz CFBFHBJVLRZSCQ-LBPRGKRZSA-N 1 2 292.383 1.611 20 30 CDEDLO Cc1nc([C@@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)no1 ZINC001649840000 1169420471 /nfs/dbraw/zinc/42/04/71/1169420471.db2.gz AIAOYEIHEHYNMD-RNCFNFMXSA-N 1 2 272.308 1.634 20 30 CDEDLO C#CCCN1CCC[C@@H](Nc2[nH+]ccc(F)c2C)C1=O ZINC001160899444 938841246 /nfs/dbraw/zinc/84/12/46/938841246.db2.gz FHPNHFJFIUKNEZ-CYBMUJFWSA-N 1 2 275.327 1.955 20 30 CDEDLO COc1nc(NCCCn2cc[nH+]c2)ccc1C#N ZINC001161682211 938919887 /nfs/dbraw/zinc/91/98/87/938919887.db2.gz KKIIZELOUNIJLK-UHFFFAOYSA-N 1 2 257.297 1.661 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNc2cc(C3(C#N)CC3)ccn2)C1 ZINC001162684182 939116542 /nfs/dbraw/zinc/11/65/42/939116542.db2.gz SKWXRAXUTPHZEK-ZDUSSCGKSA-N 1 2 272.352 1.379 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNc2cc(C3(C#N)CC3)ccn2)C1 ZINC001162684182 939116543 /nfs/dbraw/zinc/11/65/43/939116543.db2.gz SKWXRAXUTPHZEK-ZDUSSCGKSA-N 1 2 272.352 1.379 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1nnc(Cl)cc1C#N ZINC001162849539 939153115 /nfs/dbraw/zinc/15/31/15/939153115.db2.gz MJWUULYRLSFXEM-QMMMGPOBSA-N 1 2 297.746 1.083 20 30 CDEDLO Cc1nc(C#N)cc(NCc2ccc3[nH+]ccn3c2)n1 ZINC001163140598 939211152 /nfs/dbraw/zinc/21/11/52/939211152.db2.gz HASFNANJFFEWOL-UHFFFAOYSA-N 1 2 264.292 1.917 20 30 CDEDLO C=C(C)CNc1cc(N2CCC(C(N)=O)CC2)nc[nH+]1 ZINC001163374275 939258709 /nfs/dbraw/zinc/25/87/09/939258709.db2.gz OETPZTSQNSIUSE-UHFFFAOYSA-N 1 2 275.356 1.166 20 30 CDEDLO C=C(C)CNc1cc(N2CCC(C(N)=O)CC2)[nH+]cn1 ZINC001163374275 939258711 /nfs/dbraw/zinc/25/87/11/939258711.db2.gz OETPZTSQNSIUSE-UHFFFAOYSA-N 1 2 275.356 1.166 20 30 CDEDLO CCc1cc(C[NH+]2CCN(C(=O)NC)CC2)ccc1C#N ZINC001238768385 945243569 /nfs/dbraw/zinc/24/35/69/945243569.db2.gz IJLQIIUTDRDMSG-UHFFFAOYSA-N 1 2 286.379 1.578 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(N3CC[C@H]4CNC(=O)[C@H]4C3)c2c1 ZINC001166981087 939666477 /nfs/dbraw/zinc/66/64/77/939666477.db2.gz RNHRTVZLTSWXRS-ZFWWWQNUSA-N 1 2 292.342 1.679 20 30 CDEDLO C#C[C@H]1CCCN(c2cc(-n3cncn3)nc(C)[nH+]2)C1 ZINC001167008251 939670360 /nfs/dbraw/zinc/67/03/60/939670360.db2.gz VYOQQLFMVBBYLT-LBPRGKRZSA-N 1 2 268.324 1.215 20 30 CDEDLO C#CC[NH2+]CC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001205344828 939883238 /nfs/dbraw/zinc/88/32/38/939883238.db2.gz HMGPLEFIXRVVKN-SNVBAGLBSA-N 1 2 280.265 1.348 20 30 CDEDLO C#CC[NH2+]CC1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001205344828 939883241 /nfs/dbraw/zinc/88/32/41/939883241.db2.gz HMGPLEFIXRVVKN-SNVBAGLBSA-N 1 2 280.265 1.348 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(C)cc2OC)CC1 ZINC001206769976 940086245 /nfs/dbraw/zinc/08/62/45/940086245.db2.gz PIVUGZXPGBEQDN-UHFFFAOYSA-N 1 2 258.365 1.754 20 30 CDEDLO CCCCCCCCS(=O)(=O)N1CC[NH2+]C[C@@H](F)C1 ZINC001238986729 945297687 /nfs/dbraw/zinc/29/76/87/945297687.db2.gz BMLIYZFRAVVRIT-CYBMUJFWSA-N 1 2 294.436 1.920 20 30 CDEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1CC(OC)OC ZINC001207253063 940171972 /nfs/dbraw/zinc/17/19/72/940171972.db2.gz DQOFJPCNLVHVKY-ZDUSSCGKSA-N 1 2 295.383 1.141 20 30 CDEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1CC(OC)OC ZINC001207253063 940171974 /nfs/dbraw/zinc/17/19/74/940171974.db2.gz DQOFJPCNLVHVKY-ZDUSSCGKSA-N 1 2 295.383 1.141 20 30 CDEDLO CC1(C[NH+]2CC(Oc3ccccc3C#N)C2)COC1 ZINC001207799497 940247564 /nfs/dbraw/zinc/24/75/64/940247564.db2.gz ZILXQOWRVLFCCR-UHFFFAOYSA-N 1 2 258.321 1.658 20 30 CDEDLO C=CCN(CC[N@@H+]1CCOCC1(C)C)C(=O)OCC ZINC001209021950 940424864 /nfs/dbraw/zinc/42/48/64/940424864.db2.gz GMTIZQIXRBVLOD-UHFFFAOYSA-N 1 2 270.373 1.742 20 30 CDEDLO C=CCN(CC[N@H+]1CCOCC1(C)C)C(=O)OCC ZINC001209021950 940424866 /nfs/dbraw/zinc/42/48/66/940424866.db2.gz GMTIZQIXRBVLOD-UHFFFAOYSA-N 1 2 270.373 1.742 20 30 CDEDLO C#Cc1cc(Nc2ccc(CO)cc2OC)cc[nH+]1 ZINC001215198889 940864562 /nfs/dbraw/zinc/86/45/62/940864562.db2.gz TXSWLVDTLGRGDJ-UHFFFAOYSA-N 1 2 254.289 1.729 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001220147759 941416211 /nfs/dbraw/zinc/41/62/11/941416211.db2.gz LYWXRIRXWDCBKX-MXFLAHGMSA-N 1 2 272.776 1.112 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001220147759 941416212 /nfs/dbraw/zinc/41/62/12/941416212.db2.gz LYWXRIRXWDCBKX-MXFLAHGMSA-N 1 2 272.776 1.112 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCOC)[C@@H]2C1 ZINC001221216358 941503533 /nfs/dbraw/zinc/50/35/33/941503533.db2.gz SDDXZDTYYDPWKG-VXGBXAGGSA-N 1 2 272.776 1.308 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCOC)[C@@H]2C1 ZINC001221216358 941503530 /nfs/dbraw/zinc/50/35/30/941503530.db2.gz SDDXZDTYYDPWKG-VXGBXAGGSA-N 1 2 272.776 1.308 20 30 CDEDLO C=C[C@@H]1O[C@@H](OCCn2cc[nH+]c2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001222139127 941568875 /nfs/dbraw/zinc/56/88/75/941568875.db2.gz NXRDOBMDTSXQCE-ZDEQEGDKSA-N 1 2 280.324 1.331 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(Cl)cn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225274851 941836493 /nfs/dbraw/zinc/83/64/93/941836493.db2.gz PPJAOWOOEKXLED-NJFCNUMCSA-N 1 2 266.728 1.726 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(Cl)cn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225274851 941836498 /nfs/dbraw/zinc/83/64/98/941836498.db2.gz PPJAOWOOEKXLED-NJFCNUMCSA-N 1 2 266.728 1.726 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc(F)c3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225923680 941929487 /nfs/dbraw/zinc/92/94/87/941929487.db2.gz BKTURMVEXGAXAN-LEGMNPEXSA-N 1 2 267.275 1.956 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc(F)c3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225923680 941929490 /nfs/dbraw/zinc/92/94/90/941929490.db2.gz BKTURMVEXGAXAN-LEGMNPEXSA-N 1 2 267.275 1.956 20 30 CDEDLO COc1cccc(C#N)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001226250133 941975666 /nfs/dbraw/zinc/97/56/66/941975666.db2.gz IOPJMDVTUNYZNE-FDAWXEHDSA-N 1 2 286.331 1.558 20 30 CDEDLO COc1cccc(C#N)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001226250133 941975668 /nfs/dbraw/zinc/97/56/68/941975668.db2.gz IOPJMDVTUNYZNE-FDAWXEHDSA-N 1 2 286.331 1.558 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3noc4ccccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226402110 941998528 /nfs/dbraw/zinc/99/85/28/941998528.db2.gz HATJBBKYZLJHEL-LSVRBPJHSA-N 1 2 272.304 1.819 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3noc4ccccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226402110 941998531 /nfs/dbraw/zinc/99/85/31/941998531.db2.gz HATJBBKYZLJHEL-LSVRBPJHSA-N 1 2 272.304 1.819 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3c(O)cccc3O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227032520 942118321 /nfs/dbraw/zinc/11/83/21/942118321.db2.gz XORJICCDEBBBFQ-UHSPONAGSA-N 1 2 263.293 1.089 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3c(O)cccc3O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227032520 942118324 /nfs/dbraw/zinc/11/83/24/942118324.db2.gz XORJICCDEBBBFQ-UHSPONAGSA-N 1 2 263.293 1.089 20 30 CDEDLO CC[NH+]1CC(Oc2ccc3cc(C#N)c(=O)oc3c2)C1 ZINC001227377724 942169997 /nfs/dbraw/zinc/16/99/97/942169997.db2.gz NESALDOPWPMFKT-UHFFFAOYSA-N 1 2 270.288 1.748 20 30 CDEDLO COc1cccc(O)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001227478306 942180179 /nfs/dbraw/zinc/18/01/79/942180179.db2.gz BHSQNLACWAKZAB-OTDFPYDRSA-N 1 2 277.320 1.392 20 30 CDEDLO COc1cccc(O)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001227478306 942180183 /nfs/dbraw/zinc/18/01/83/942180183.db2.gz BHSQNLACWAKZAB-OTDFPYDRSA-N 1 2 277.320 1.392 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2cnc(Cl)c(C#N)c2)C1 ZINC001227747733 942218595 /nfs/dbraw/zinc/21/85/95/942218595.db2.gz OBNPNACMIIVCKS-NSHDSACASA-N 1 2 267.716 1.316 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2cnc(Cl)c(C#N)c2)C1 ZINC001227747733 942218599 /nfs/dbraw/zinc/21/85/99/942218599.db2.gz OBNPNACMIIVCKS-NSHDSACASA-N 1 2 267.716 1.316 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Oc1ccc([N+](=O)[O-])c(C#N)c1 ZINC001229526229 942488507 /nfs/dbraw/zinc/48/85/07/942488507.db2.gz WGXLZIFCJSDIMM-NSHDSACASA-N 1 2 291.307 1.566 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2ncnc3c(C#N)cccc23)C1 ZINC001231041117 942763662 /nfs/dbraw/zinc/76/36/62/942763662.db2.gz QBMQECVAYHWORF-LBPRGKRZSA-N 1 2 284.319 1.211 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2ncnc3c(C#N)cccc23)C1 ZINC001231041117 942763665 /nfs/dbraw/zinc/76/36/65/942763665.db2.gz QBMQECVAYHWORF-LBPRGKRZSA-N 1 2 284.319 1.211 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@H]2CN(C)C(=O)[C@H](C)C#N)on1 ZINC001231247520 942831545 /nfs/dbraw/zinc/83/15/45/942831545.db2.gz OKXFFIHWIBRKHR-PWSUYJOCSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@H]2CN(C)C(=O)[C@H](C)C#N)on1 ZINC001231247520 942831547 /nfs/dbraw/zinc/83/15/47/942831547.db2.gz OKXFFIHWIBRKHR-PWSUYJOCSA-N 1 2 276.340 1.175 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCCC12COC2 ZINC001231618584 942944865 /nfs/dbraw/zinc/94/48/65/942944865.db2.gz OJUUPFBBONNPGW-UHFFFAOYSA-N 1 2 258.321 1.932 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCCC12COC2 ZINC001231618584 942944867 /nfs/dbraw/zinc/94/48/67/942944867.db2.gz OJUUPFBBONNPGW-UHFFFAOYSA-N 1 2 258.321 1.932 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccc(OC)c(OC(C)=O)c1 ZINC001231712173 942988990 /nfs/dbraw/zinc/98/89/90/942988990.db2.gz QFXLEEXBPYCVCZ-UHFFFAOYSA-N 1 2 271.316 1.689 20 30 CDEDLO CC(C)(C)[N@@H+](Cc1cc(C#N)ccc1O)C[C@@H](O)CO ZINC001232674747 943356161 /nfs/dbraw/zinc/35/61/61/943356161.db2.gz DALCHGLYQOIWBM-CYBMUJFWSA-N 1 2 278.352 1.218 20 30 CDEDLO CC(C)(C)[N@H+](Cc1cc(C#N)ccc1O)C[C@@H](O)CO ZINC001232674747 943356165 /nfs/dbraw/zinc/35/61/65/943356165.db2.gz DALCHGLYQOIWBM-CYBMUJFWSA-N 1 2 278.352 1.218 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@](F)(CO)C2)c1 ZINC001232674022 943357663 /nfs/dbraw/zinc/35/76/63/943357663.db2.gz POPJQSMXNOBJKG-ZDUSSCGKSA-N 1 2 250.273 1.170 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@](F)(CO)C2)c1 ZINC001232674022 943357664 /nfs/dbraw/zinc/35/76/64/943357664.db2.gz POPJQSMXNOBJKG-ZDUSSCGKSA-N 1 2 250.273 1.170 20 30 CDEDLO CC(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232678446 943360482 /nfs/dbraw/zinc/36/04/82/943360482.db2.gz ZQIRVJNUUZSGJC-AWEZNQCLSA-N 1 2 273.336 1.316 20 30 CDEDLO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232678446 943360491 /nfs/dbraw/zinc/36/04/91/943360491.db2.gz ZQIRVJNUUZSGJC-AWEZNQCLSA-N 1 2 273.336 1.316 20 30 CDEDLO CC(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232679866 943363015 /nfs/dbraw/zinc/36/30/15/943363015.db2.gz UJLWQSNDIWGTPD-AWEZNQCLSA-N 1 2 273.336 1.364 20 30 CDEDLO CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232679866 943363017 /nfs/dbraw/zinc/36/30/17/943363017.db2.gz UJLWQSNDIWGTPD-AWEZNQCLSA-N 1 2 273.336 1.364 20 30 CDEDLO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1[nH]ccc1C#N ZINC001233043147 943473721 /nfs/dbraw/zinc/47/37/21/943473721.db2.gz FRIBBNFBKHWVMW-HNNXBMFYSA-N 1 2 272.352 1.473 20 30 CDEDLO CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1[nH]ccc1C#N ZINC001233043147 943473724 /nfs/dbraw/zinc/47/37/24/943473724.db2.gz FRIBBNFBKHWVMW-HNNXBMFYSA-N 1 2 272.352 1.473 20 30 CDEDLO C[C@@H]1C[NH+](C2CN(Cc3[nH]ccc3C#N)C2)C[C@@H](C)O1 ZINC001233048294 943475950 /nfs/dbraw/zinc/47/59/50/943475950.db2.gz ANOIXVHMVISTFY-VXGBXAGGSA-N 1 2 274.368 1.180 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2C[C@H](CO)C[C@H](F)C2)c(O)c1 ZINC001233383241 943570451 /nfs/dbraw/zinc/57/04/51/943570451.db2.gz BOMSULDHFPNBBQ-YPMHNXCESA-N 1 2 264.300 1.416 20 30 CDEDLO N#Cc1ccc(C[N@H+]2C[C@H](CO)C[C@H](F)C2)c(O)c1 ZINC001233383241 943570454 /nfs/dbraw/zinc/57/04/54/943570454.db2.gz BOMSULDHFPNBBQ-YPMHNXCESA-N 1 2 264.300 1.416 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)CC ZINC001233925936 943692215 /nfs/dbraw/zinc/69/22/15/943692215.db2.gz LGWZWKWHKBQTOS-ZIAGYGMSSA-N 1 2 295.427 1.258 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)CC ZINC001233925936 943692217 /nfs/dbraw/zinc/69/22/17/943692217.db2.gz LGWZWKWHKBQTOS-ZIAGYGMSSA-N 1 2 295.427 1.258 20 30 CDEDLO COc1cc(O[C@H](C)C[NH+]2CCOCC2)ccc1C#N ZINC001234500191 943866359 /nfs/dbraw/zinc/86/63/59/943866359.db2.gz WMUQPJYESZOXQO-GFCCVEGCSA-N 1 2 276.336 1.666 20 30 CDEDLO COc1cc(OC[C@H]2C[N@H+](C)CCO2)ccc1C#N ZINC001234496337 943867574 /nfs/dbraw/zinc/86/75/74/943867574.db2.gz DTAYQTBNIHWOQX-CYBMUJFWSA-N 1 2 262.309 1.276 20 30 CDEDLO COc1cc(OC[C@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC001234496337 943867581 /nfs/dbraw/zinc/86/75/81/943867581.db2.gz DTAYQTBNIHWOQX-CYBMUJFWSA-N 1 2 262.309 1.276 20 30 CDEDLO C=CCOCC(=O)NCCC[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC001235698976 944253779 /nfs/dbraw/zinc/25/37/79/944253779.db2.gz QYRYXGMNVDVOFX-LLVKDONJSA-N 1 2 296.371 1.080 20 30 CDEDLO C=CCOCC(=O)NCCC[N@H+](C)[C@H](C)c1nc(C)no1 ZINC001235698976 944253786 /nfs/dbraw/zinc/25/37/86/944253786.db2.gz QYRYXGMNVDVOFX-LLVKDONJSA-N 1 2 296.371 1.080 20 30 CDEDLO CCOC(=O)c1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)[nH]n1 ZINC001237030865 944639047 /nfs/dbraw/zinc/63/90/47/944639047.db2.gz CUEBHAXPVMPOTL-UOJUARBOSA-N 1 2 288.351 1.853 20 30 CDEDLO CCOC(=O)c1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)[nH]n1 ZINC001237030865 944639053 /nfs/dbraw/zinc/63/90/53/944639053.db2.gz CUEBHAXPVMPOTL-UOJUARBOSA-N 1 2 288.351 1.853 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](O)C2)c(F)cc1F ZINC001237526441 944824879 /nfs/dbraw/zinc/82/48/79/944824879.db2.gz BBLUGMDSAUTIFZ-LLVKDONJSA-N 1 2 252.264 1.793 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](O)C2)c(F)cc1F ZINC001237526441 944824881 /nfs/dbraw/zinc/82/48/81/944824881.db2.gz BBLUGMDSAUTIFZ-LLVKDONJSA-N 1 2 252.264 1.793 20 30 CDEDLO CC(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237538908 944828826 /nfs/dbraw/zinc/82/88/26/944828826.db2.gz WDUDICMHTADPTO-ZDUSSCGKSA-N 1 2 293.317 1.889 20 30 CDEDLO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237538908 944828829 /nfs/dbraw/zinc/82/88/29/944828829.db2.gz WDUDICMHTADPTO-ZDUSSCGKSA-N 1 2 293.317 1.889 20 30 CDEDLO N#CC1([NH2+]C2CCC3(CC2)OCCO3)CCOCC1 ZINC001255619663 948034565 /nfs/dbraw/zinc/03/45/65/948034565.db2.gz SIPDQOBGXJZVOW-UHFFFAOYSA-N 1 2 266.341 1.334 20 30 CDEDLO CCOC(=O)CCC(CCC(=O)OCC)[N@H+](C)CCC#N ZINC001256000149 948153079 /nfs/dbraw/zinc/15/30/79/948153079.db2.gz HWVNWYHSHUQSLE-UHFFFAOYSA-N 1 2 298.383 1.887 20 30 CDEDLO CCOC(=O)CCC(CCC(=O)OCC)[N@@H+](C)CCC#N ZINC001256000149 948153084 /nfs/dbraw/zinc/15/30/84/948153084.db2.gz HWVNWYHSHUQSLE-UHFFFAOYSA-N 1 2 298.383 1.887 20 30 CDEDLO Cc1cc(-c2noc(CC[NH+]3CCOCC3)n2)ccc1C#N ZINC001247448628 948635897 /nfs/dbraw/zinc/63/58/97/948635897.db2.gz HRWZZHJSGPGBGP-UHFFFAOYSA-N 1 2 298.346 1.791 20 30 CDEDLO C#CC[NH+]1CCN([C@@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001257968698 948674119 /nfs/dbraw/zinc/67/41/19/948674119.db2.gz ONRHGRMWNQUVPK-HNNXBMFYSA-N 1 2 290.794 1.894 20 30 CDEDLO CCc1cc(C#N)ccc1C[N@@H+]1CCOC[C@H]1COC ZINC001248752471 949125205 /nfs/dbraw/zinc/12/52/05/949125205.db2.gz MUFPKLPFSFZDQU-MRXNPFEDSA-N 1 2 274.364 1.968 20 30 CDEDLO CCc1cc(C#N)ccc1C[N@H+]1CCOC[C@H]1COC ZINC001248752471 949125221 /nfs/dbraw/zinc/12/52/21/949125221.db2.gz MUFPKLPFSFZDQU-MRXNPFEDSA-N 1 2 274.364 1.968 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnn3ccc(Cl)nc23)CC1 ZINC001248877151 949256819 /nfs/dbraw/zinc/25/68/19/949256819.db2.gz CYDOWQIQSLIEDV-UHFFFAOYSA-N 1 2 289.770 1.134 20 30 CDEDLO N#Cc1ccn2ncc(C[N@@H+]3CCn4cncc4C3)c2c1 ZINC001249113669 949395500 /nfs/dbraw/zinc/39/55/00/949395500.db2.gz MRLJRPUDAKYRBQ-UHFFFAOYSA-N 1 2 278.319 1.418 20 30 CDEDLO N#Cc1ccn2ncc(C[N@H+]3CCn4cncc4C3)c2c1 ZINC001249113669 949395515 /nfs/dbraw/zinc/39/55/15/949395515.db2.gz MRLJRPUDAKYRBQ-UHFFFAOYSA-N 1 2 278.319 1.418 20 30 CDEDLO C=CCOC[C@@H](O)CNc1ccc(-n2cc[nH+]c2)cc1 ZINC001252451843 951290992 /nfs/dbraw/zinc/29/09/92/951290992.db2.gz XRLUHUPMOVOFPZ-HNNXBMFYSA-N 1 2 273.336 1.848 20 30 CDEDLO C=CCC[C@H](O)CNc1ccc(N2CC[C@H](O)C2)[nH+]c1 ZINC001252592651 951486738 /nfs/dbraw/zinc/48/67/38/951486738.db2.gz YJCSJMJFAIQKJI-KBPBESRZSA-N 1 2 277.368 1.392 20 30 CDEDLO C=CCONC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001324739082 953554372 /nfs/dbraw/zinc/55/43/72/953554372.db2.gz GTKLMCPXISLBEA-LBPRGKRZSA-N 1 2 278.356 1.502 20 30 CDEDLO C[C@@H](C(=O)NCCc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001328439953 955296717 /nfs/dbraw/zinc/29/67/17/955296717.db2.gz VURYWRGLMZXJKL-LBPRGKRZSA-N 1 2 268.320 1.675 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC001365688874 956296925 /nfs/dbraw/zinc/29/69/25/956296925.db2.gz VQQUCRCQGUIWJO-CQSZACIVSA-N 1 2 297.402 1.979 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)Cn1cc(C)cn1 ZINC001366651785 957086669 /nfs/dbraw/zinc/08/66/69/957086669.db2.gz RHMUNYARPMLSJJ-ZDUSSCGKSA-N 1 2 296.802 1.525 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc(C)cn1 ZINC001366651785 957086687 /nfs/dbraw/zinc/08/66/87/957086687.db2.gz RHMUNYARPMLSJJ-ZDUSSCGKSA-N 1 2 296.802 1.525 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1ncc[nH]1)C1CC1 ZINC001366762143 957174116 /nfs/dbraw/zinc/17/41/16/957174116.db2.gz RICWADNEZXSSGD-UHFFFAOYSA-N 1 2 282.775 1.285 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1ncc[nH]1)C1CC1 ZINC001366762143 957174124 /nfs/dbraw/zinc/17/41/24/957174124.db2.gz RICWADNEZXSSGD-UHFFFAOYSA-N 1 2 282.775 1.285 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001366959550 957300944 /nfs/dbraw/zinc/30/09/44/957300944.db2.gz AFAPWDLFIFPKAO-LBPRGKRZSA-N 1 2 282.347 1.266 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)CC1(C)C ZINC001318696127 958231258 /nfs/dbraw/zinc/23/12/58/958231258.db2.gz MJVOZIBFJNSKCI-UHFFFAOYSA-N 1 2 257.337 1.958 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)CC1(C)C ZINC001318696127 958231269 /nfs/dbraw/zinc/23/12/69/958231269.db2.gz MJVOZIBFJNSKCI-UHFFFAOYSA-N 1 2 257.337 1.958 20 30 CDEDLO CC(C)(CC#N)CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001427379686 958234814 /nfs/dbraw/zinc/23/48/14/958234814.db2.gz WSLBCJCCKCHHMQ-LLVKDONJSA-N 1 2 275.356 1.437 20 30 CDEDLO N#CC1(NC(=O)CCc2c[nH]c[nH+]2)CCSCC1 ZINC001321047836 959556441 /nfs/dbraw/zinc/55/64/41/959556441.db2.gz ZJEYXOFDCBOVPU-UHFFFAOYSA-N 1 2 264.354 1.248 20 30 CDEDLO N#CC1(NC(=O)CCc2c[nH+]c[nH]2)CCSCC1 ZINC001321047836 959556458 /nfs/dbraw/zinc/55/64/58/959556458.db2.gz ZJEYXOFDCBOVPU-UHFFFAOYSA-N 1 2 264.354 1.248 20 30 CDEDLO C=C1CCN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC1 ZINC001337771959 961413665 /nfs/dbraw/zinc/41/36/65/961413665.db2.gz JHEUVGJLKPAPFU-AWEZNQCLSA-N 1 2 288.395 1.984 20 30 CDEDLO C=C1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC001337771959 961413672 /nfs/dbraw/zinc/41/36/72/961413672.db2.gz JHEUVGJLKPAPFU-AWEZNQCLSA-N 1 2 288.395 1.984 20 30 CDEDLO C=C[C@H](COC)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001338117598 961641729 /nfs/dbraw/zinc/64/17/29/961641729.db2.gz GAGRNABHLCGVIC-GFCCVEGCSA-N 1 2 273.336 1.502 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cn(C)nc1CC ZINC001420398499 962856802 /nfs/dbraw/zinc/85/68/02/962856802.db2.gz UJGYICBMGHGYNH-UHFFFAOYSA-N 1 2 298.818 1.787 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cn(C)nc1CC ZINC001420398499 962856819 /nfs/dbraw/zinc/85/68/19/962856819.db2.gz UJGYICBMGHGYNH-UHFFFAOYSA-N 1 2 298.818 1.787 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(OC)ccn1 ZINC001420608261 963117306 /nfs/dbraw/zinc/11/73/06/963117306.db2.gz HWYITGVDFLBTOV-LLVKDONJSA-N 1 2 297.786 1.893 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(OC)ccn1 ZINC001420608261 963117309 /nfs/dbraw/zinc/11/73/09/963117309.db2.gz HWYITGVDFLBTOV-LLVKDONJSA-N 1 2 297.786 1.893 20 30 CDEDLO Cc1cnc(C[N@@H+](CCNC(=O)[C@@H](C)C#N)C2CC2)cn1 ZINC001437777113 963177874 /nfs/dbraw/zinc/17/78/74/963177874.db2.gz FBEKPSNTKAKAMK-NSHDSACASA-N 1 2 287.367 1.025 20 30 CDEDLO Cc1cnc(C[N@H+](CCNC(=O)[C@@H](C)C#N)C2CC2)cn1 ZINC001437777113 963177879 /nfs/dbraw/zinc/17/78/79/963177879.db2.gz FBEKPSNTKAKAMK-NSHDSACASA-N 1 2 287.367 1.025 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC001341258891 963340920 /nfs/dbraw/zinc/34/09/20/963340920.db2.gz WHCJIQUGCYYVHS-UHFFFAOYSA-N 1 2 266.272 1.816 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC001341258891 963340933 /nfs/dbraw/zinc/34/09/33/963340933.db2.gz WHCJIQUGCYYVHS-UHFFFAOYSA-N 1 2 266.272 1.816 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)c1cccc(C#N)c1 ZINC001442188381 964903209 /nfs/dbraw/zinc/90/32/09/964903209.db2.gz UJOAVDZUOLGIOL-UHFFFAOYSA-N 1 2 254.293 1.795 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001346768771 965247711 /nfs/dbraw/zinc/24/77/11/965247711.db2.gz ZPIHWNZPRVEMCF-KFWWJZLASA-N 1 2 294.443 1.371 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001346768771 965247725 /nfs/dbraw/zinc/24/77/25/965247725.db2.gz ZPIHWNZPRVEMCF-KFWWJZLASA-N 1 2 294.443 1.371 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2c(F)ccnc2Cl)CC1 ZINC001347553208 965585875 /nfs/dbraw/zinc/58/58/75/965585875.db2.gz FDFRYZJAAWZDAF-UHFFFAOYSA-N 1 2 295.745 1.655 20 30 CDEDLO C=C(C)CN(C)c1nnc([C@H]2CCCC[N@@H+]2C)n1C ZINC001351117941 966860637 /nfs/dbraw/zinc/86/06/37/966860637.db2.gz JNMQGJUJAOJKMG-GFCCVEGCSA-N 1 2 263.389 1.984 20 30 CDEDLO C=C(C)CN(C)c1nnc([C@H]2CCCC[N@H+]2C)n1C ZINC001351117941 966860644 /nfs/dbraw/zinc/86/06/44/966860644.db2.gz JNMQGJUJAOJKMG-GFCCVEGCSA-N 1 2 263.389 1.984 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1cc[nH]n1 ZINC001447759788 966863796 /nfs/dbraw/zinc/86/37/96/966863796.db2.gz FCOJKSZPCWLQSU-NSHDSACASA-N 1 2 282.775 1.699 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cc[nH]n1 ZINC001447759788 966863803 /nfs/dbraw/zinc/86/38/03/966863803.db2.gz FCOJKSZPCWLQSU-NSHDSACASA-N 1 2 282.775 1.699 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccn[nH]1 ZINC001447759788 966863807 /nfs/dbraw/zinc/86/38/07/966863807.db2.gz FCOJKSZPCWLQSU-NSHDSACASA-N 1 2 282.775 1.699 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccn[nH]1 ZINC001447759788 966863814 /nfs/dbraw/zinc/86/38/14/966863814.db2.gz FCOJKSZPCWLQSU-NSHDSACASA-N 1 2 282.775 1.699 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001351995200 967049134 /nfs/dbraw/zinc/04/91/34/967049134.db2.gz PJPNUUMPTKWLON-CABCVRRESA-N 1 2 296.459 1.666 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2nnc(C)o2)C1 ZINC001448283672 967061586 /nfs/dbraw/zinc/06/15/86/967061586.db2.gz LMVPBZAAEVUGKG-VIFPVBQESA-N 1 2 298.774 1.110 20 30 CDEDLO N#CCOc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC001361695664 970432821 /nfs/dbraw/zinc/43/28/21/970432821.db2.gz NYRGDXQPFWRULX-GFCCVEGCSA-N 1 2 296.330 1.987 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H](OC)C1CC1)C1CC1 ZINC001372791998 973145304 /nfs/dbraw/zinc/14/53/04/973145304.db2.gz HHBPVCATAHNLPK-ZDUSSCGKSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H](OC)C1CC1)C1CC1 ZINC001372791998 973145313 /nfs/dbraw/zinc/14/53/13/973145313.db2.gz HHBPVCATAHNLPK-ZDUSSCGKSA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnc2nccn2c1 ZINC001418477309 973880143 /nfs/dbraw/zinc/88/01/43/973880143.db2.gz ANVMVKYWGKTTBQ-UHFFFAOYSA-N 1 2 293.758 1.143 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnc2nccn2c1 ZINC001418477309 973880154 /nfs/dbraw/zinc/88/01/54/973880154.db2.gz ANVMVKYWGKTTBQ-UHFFFAOYSA-N 1 2 293.758 1.143 20 30 CDEDLO Cc1cnc(C[N@@H+](C)CCCN(C)C(=O)[C@H](C)C#N)o1 ZINC001502166846 974713110 /nfs/dbraw/zinc/71/31/10/974713110.db2.gz HXYDQQKIKFFFPN-LLVKDONJSA-N 1 2 278.356 1.423 20 30 CDEDLO Cc1cnc(C[N@H+](C)CCCN(C)C(=O)[C@H](C)C#N)o1 ZINC001502166846 974713116 /nfs/dbraw/zinc/71/31/16/974713116.db2.gz HXYDQQKIKFFFPN-LLVKDONJSA-N 1 2 278.356 1.423 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cn(CCC)nn1 ZINC001377350195 974985859 /nfs/dbraw/zinc/98/58/59/974985859.db2.gz IFWXSZLSGBDRQK-UHFFFAOYSA-N 1 2 299.806 1.492 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cn(CCC)nn1 ZINC001377350195 974985861 /nfs/dbraw/zinc/98/58/61/974985861.db2.gz IFWXSZLSGBDRQK-UHFFFAOYSA-N 1 2 299.806 1.492 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cn(CC)nn1)C1CC1 ZINC001377555321 975072279 /nfs/dbraw/zinc/07/22/79/975072279.db2.gz CBGZSXMHOAUCKI-UHFFFAOYSA-N 1 2 297.790 1.245 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cn(CC)nn1)C1CC1 ZINC001377555321 975072283 /nfs/dbraw/zinc/07/22/83/975072283.db2.gz CBGZSXMHOAUCKI-UHFFFAOYSA-N 1 2 297.790 1.245 20 30 CDEDLO C=C(Cl)CN1CC(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001404832939 975502888 /nfs/dbraw/zinc/50/28/88/975502888.db2.gz YJCVCQDXXRGOMM-LLVKDONJSA-N 1 2 282.775 1.387 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(C(N)=O)o1 ZINC001379701888 976020218 /nfs/dbraw/zinc/02/02/18/976020218.db2.gz LKZPVWYOONJARP-SECBINFHSA-N 1 2 299.758 1.181 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C(N)=O)o1 ZINC001379701888 976020233 /nfs/dbraw/zinc/02/02/33/976020233.db2.gz LKZPVWYOONJARP-SECBINFHSA-N 1 2 299.758 1.181 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001390867579 976569249 /nfs/dbraw/zinc/56/92/49/976569249.db2.gz YJDBFUSWYZMMJP-LLVKDONJSA-N 1 2 296.802 1.315 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001390867579 976569256 /nfs/dbraw/zinc/56/92/56/976569256.db2.gz YJDBFUSWYZMMJP-LLVKDONJSA-N 1 2 296.802 1.315 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)Cn2cc(C)cn2)C1 ZINC001407147143 976572682 /nfs/dbraw/zinc/57/26/82/976572682.db2.gz IHTBONHRQRUQBE-AWEZNQCLSA-N 1 2 296.802 1.525 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)Cn2cc(C)cn2)C1 ZINC001407147143 976572691 /nfs/dbraw/zinc/57/26/91/976572691.db2.gz IHTBONHRQRUQBE-AWEZNQCLSA-N 1 2 296.802 1.525 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2(COC)CC2)C1 ZINC001391499722 976922292 /nfs/dbraw/zinc/92/22/92/976922292.db2.gz WLTMUTBLDIYADE-UHFFFAOYSA-N 1 2 272.776 1.214 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CC2(O)CCC2)C1 ZINC001381772088 977013066 /nfs/dbraw/zinc/01/30/66/977013066.db2.gz CWYOELUSSJPWLP-LLVKDONJSA-N 1 2 286.803 1.481 20 30 CDEDLO C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)c1[nH]nc2c1CCCC2 ZINC001392494813 977460154 /nfs/dbraw/zinc/46/01/54/977460154.db2.gz ZSSSGIRODDBNCH-SNVBAGLBSA-N 1 2 296.802 1.749 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1c[nH]nc1C ZINC001392677694 977543818 /nfs/dbraw/zinc/54/38/18/977543818.db2.gz SLBOHIHRHYCBTI-VIFPVBQESA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1c[nH]nc1C ZINC001392677694 977543822 /nfs/dbraw/zinc/54/38/22/977543822.db2.gz SLBOHIHRHYCBTI-VIFPVBQESA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1ccn(C)n1 ZINC001394061091 978042417 /nfs/dbraw/zinc/04/24/17/978042417.db2.gz ULPDQPTXWDAPDE-NSHDSACASA-N 1 2 284.791 1.152 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1ccn(C)n1 ZINC001394061091 978042426 /nfs/dbraw/zinc/04/24/26/978042426.db2.gz ULPDQPTXWDAPDE-NSHDSACASA-N 1 2 284.791 1.152 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001132395899 1163265099 /nfs/dbraw/zinc/26/50/99/1163265099.db2.gz STOUTBJHQFJBDL-VIFPVBQESA-N 1 2 266.345 1.357 20 30 CDEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001132568647 1163376672 /nfs/dbraw/zinc/37/66/72/1163376672.db2.gz BKWJERXWTDSSHR-GHMZBOCLSA-N 1 2 292.383 1.611 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001132653427 1163415738 /nfs/dbraw/zinc/41/57/38/1163415738.db2.gz LMVRBENHTUITPR-MNOVXSKESA-N 1 2 282.413 1.907 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001132660613 1163427836 /nfs/dbraw/zinc/42/78/36/1163427836.db2.gz POAIKLDWIKRWKD-NSHDSACASA-N 1 2 266.345 1.186 20 30 CDEDLO CSC[C@@](C)(C#N)NC(=O)CCCn1cc[nH+]c1 ZINC000589047934 342484710 /nfs/dbraw/zinc/48/47/10/342484710.db2.gz HSSUHVZCQBAURT-GFCCVEGCSA-N 1 2 266.370 1.425 20 30 CDEDLO N#Cc1cccc(C(=O)NCCCCn2cc[nH+]c2)n1 ZINC000589330675 342504220 /nfs/dbraw/zinc/50/42/20/342504220.db2.gz UTFNKTXVVXKAEI-UHFFFAOYSA-N 1 2 269.308 1.360 20 30 CDEDLO CCc1c[nH+]ccc1NC(=O)c1cccc(C#N)n1 ZINC000589774613 342513832 /nfs/dbraw/zinc/51/38/32/342513832.db2.gz IXQRROCDJOTCDF-UHFFFAOYSA-N 1 2 252.277 1.585 20 30 CDEDLO N#Cc1ccsc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000590379564 342541145 /nfs/dbraw/zinc/54/11/45/342541145.db2.gz WHGIXFVNGZBZLX-UHFFFAOYSA-N 1 2 258.306 1.541 20 30 CDEDLO N#Cc1ccsc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000590379564 342541146 /nfs/dbraw/zinc/54/11/46/342541146.db2.gz WHGIXFVNGZBZLX-UHFFFAOYSA-N 1 2 258.306 1.541 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)CCCCCC#N)CCO1 ZINC000588337214 342037894 /nfs/dbraw/zinc/03/78/94/342037894.db2.gz LHIRWIGRXOCCJL-CYBMUJFWSA-N 1 2 267.373 1.297 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)CCCCCC#N)CCO1 ZINC000588337214 342037895 /nfs/dbraw/zinc/03/78/95/342037895.db2.gz LHIRWIGRXOCCJL-CYBMUJFWSA-N 1 2 267.373 1.297 20 30 CDEDLO N#Cc1ccccc1OCCN1CCn2c[nH+]cc2C1 ZINC000590600405 342579810 /nfs/dbraw/zinc/57/98/10/342579810.db2.gz WCSYKXXNIAOLLL-UHFFFAOYSA-N 1 2 268.320 1.649 20 30 CDEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000608830337 342053633 /nfs/dbraw/zinc/05/36/33/342053633.db2.gz AWRXWFGMSHWJBA-UHFFFAOYSA-N 1 2 269.308 1.263 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C)cn1 ZINC000590754655 342587864 /nfs/dbraw/zinc/58/78/64/342587864.db2.gz MTPXIUPMEGHHDH-LBPRGKRZSA-N 1 2 290.367 1.222 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)cn1 ZINC000590754655 342587865 /nfs/dbraw/zinc/58/78/65/342587865.db2.gz MTPXIUPMEGHHDH-LBPRGKRZSA-N 1 2 290.367 1.222 20 30 CDEDLO Cc1cc(CNC(=O)N2CC[C@@](F)(C#N)C2)cc(C)[nH+]1 ZINC000591470996 342633849 /nfs/dbraw/zinc/63/38/49/342633849.db2.gz NESPWMBUGBMZDO-CQSZACIVSA-N 1 2 276.315 1.846 20 30 CDEDLO Cn1c[nH+]c2c1CCN(c1ncc3c(c1C#N)CCC3)C2 ZINC000591820471 342647521 /nfs/dbraw/zinc/64/75/21/342647521.db2.gz WRDFIOQVPJLZHT-UHFFFAOYSA-N 1 2 279.347 1.738 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1ccon1 ZINC000591853691 342649938 /nfs/dbraw/zinc/64/99/38/342649938.db2.gz XNKHJIUQBBDYIU-NSHDSACASA-N 1 2 284.319 1.600 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1ccon1 ZINC000591853691 342649939 /nfs/dbraw/zinc/64/99/39/342649939.db2.gz XNKHJIUQBBDYIU-NSHDSACASA-N 1 2 284.319 1.600 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC2(CCC2)O1 ZINC000592186965 342680204 /nfs/dbraw/zinc/68/02/04/342680204.db2.gz GUCPYZSOUFKYMH-WFASDCNBSA-N 1 2 291.395 1.438 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC2(CCC2)O1 ZINC000592186965 342680205 /nfs/dbraw/zinc/68/02/05/342680205.db2.gz GUCPYZSOUFKYMH-WFASDCNBSA-N 1 2 291.395 1.438 20 30 CDEDLO Cn1c2ccccc2[nH+]c1N1CC[C@@](O)(CC#N)C1 ZINC000591975972 342661081 /nfs/dbraw/zinc/66/10/81/342661081.db2.gz RSBOPSWJVLJQPB-AWEZNQCLSA-N 1 2 256.309 1.428 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NC2CCCCCC2)C1 ZINC000592148250 342668341 /nfs/dbraw/zinc/66/83/41/342668341.db2.gz SKVYEIDZFXPIFZ-OAHLLOKOSA-N 1 2 279.384 1.176 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NC2CCCCCC2)C1 ZINC000592148250 342668342 /nfs/dbraw/zinc/66/83/42/342668342.db2.gz SKVYEIDZFXPIFZ-OAHLLOKOSA-N 1 2 279.384 1.176 20 30 CDEDLO C=CCCCCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000351654123 361842662 /nfs/dbraw/zinc/84/26/62/361842662.db2.gz AVFRYZDNUYKWHS-ZDUSSCGKSA-N 1 2 269.389 1.363 20 30 CDEDLO C=CCCCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000351654123 361842664 /nfs/dbraw/zinc/84/26/64/361842664.db2.gz AVFRYZDNUYKWHS-ZDUSSCGKSA-N 1 2 269.389 1.363 20 30 CDEDLO C[C@@H]1CCCc2ncc(C(=O)N[C@](C)(C#N)C[NH+](C)C)n21 ZINC000593153533 342774195 /nfs/dbraw/zinc/77/41/95/342774195.db2.gz SVWHRXHVOPMOIU-IAQYHMDHSA-N 1 2 289.383 1.354 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000593391266 342793868 /nfs/dbraw/zinc/79/38/68/342793868.db2.gz REZSAHFBYUMSBZ-CYBMUJFWSA-N 1 2 277.393 1.942 20 30 CDEDLO CC[C@H](C#N)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000593396227 342794795 /nfs/dbraw/zinc/79/47/95/342794795.db2.gz AZUOCOQJVZCXBI-CYBMUJFWSA-N 1 2 272.352 1.848 20 30 CDEDLO CC[C@H](C#N)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000593448308 342798394 /nfs/dbraw/zinc/79/83/94/342798394.db2.gz PSAQEWXHQMTVKM-SECBINFHSA-N 1 2 288.273 1.954 20 30 CDEDLO Cc1c[nH+]c(CCNc2ccnc(C#N)n2)c(C)c1 ZINC000594595772 342923408 /nfs/dbraw/zinc/92/34/08/342923408.db2.gz KDJKXEDCQJPZOS-UHFFFAOYSA-N 1 2 253.309 1.437 20 30 CDEDLO N#CCCn1[nH]c2c(c1=O)C[N@H+](Cc1ccccc1)CC2 ZINC000594659580 342936542 /nfs/dbraw/zinc/93/65/42/342936542.db2.gz FYVUCLIPEBMIQU-AWEZNQCLSA-N 1 2 282.347 1.620 20 30 CDEDLO N#CCCn1[nH]c2c(c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000594659580 342936543 /nfs/dbraw/zinc/93/65/43/342936543.db2.gz FYVUCLIPEBMIQU-AWEZNQCLSA-N 1 2 282.347 1.620 20 30 CDEDLO CCC(C#N)(CC)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000599351553 344019108 /nfs/dbraw/zinc/01/91/08/344019108.db2.gz ZYLZPRHAWSTUJD-CHWSQXEVSA-N 1 2 281.400 1.542 20 30 CDEDLO CCN1CC[C@@H]([NH+]2CCC(C#N)(c3ccccn3)CC2)C1=O ZINC000595473583 343073164 /nfs/dbraw/zinc/07/31/64/343073164.db2.gz XWAHDRUXZGGVFW-CQSZACIVSA-N 1 2 298.390 1.560 20 30 CDEDLO CCNC(=O)C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076153833 342319592 /nfs/dbraw/zinc/31/95/92/342319592.db2.gz KPYUAJKKZPSXGC-GJZGRUSLSA-N 1 2 271.364 1.894 20 30 CDEDLO CCNC(=O)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076153833 342319593 /nfs/dbraw/zinc/31/95/93/342319593.db2.gz KPYUAJKKZPSXGC-GJZGRUSLSA-N 1 2 271.364 1.894 20 30 CDEDLO CN(C[C@H]1CC[N@H+](C)C1)C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329733068 362029356 /nfs/dbraw/zinc/02/93/56/362029356.db2.gz JIMKEHGOJVDQDC-RYUDHWBXSA-N 1 2 291.399 1.065 20 30 CDEDLO CN(C[C@H]1CC[N@@H+](C)C1)C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329733068 362029360 /nfs/dbraw/zinc/02/93/60/362029360.db2.gz JIMKEHGOJVDQDC-RYUDHWBXSA-N 1 2 291.399 1.065 20 30 CDEDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)NC1(C#N)CCC1)CC2 ZINC000595658328 343118714 /nfs/dbraw/zinc/11/87/14/343118714.db2.gz SUYBSEXOQNTPNT-UHFFFAOYSA-N 1 2 283.375 1.916 20 30 CDEDLO Cc1ccc2c(c1)C[N@H+](CC(=O)NC1(C#N)CCC1)CC2 ZINC000595658328 343118716 /nfs/dbraw/zinc/11/87/16/343118716.db2.gz SUYBSEXOQNTPNT-UHFFFAOYSA-N 1 2 283.375 1.916 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COCc1ccccc1F ZINC000078320916 342335612 /nfs/dbraw/zinc/33/56/12/342335612.db2.gz DGCDYXHVWDWRMY-CYBMUJFWSA-N 1 2 266.316 1.549 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COCc1ccccc1F ZINC000078320916 342335613 /nfs/dbraw/zinc/33/56/13/342335613.db2.gz DGCDYXHVWDWRMY-CYBMUJFWSA-N 1 2 266.316 1.549 20 30 CDEDLO COCc1noc([C@@H](C)[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595620260 343111263 /nfs/dbraw/zinc/11/12/63/343111263.db2.gz LEEGSMRHHBHUGJ-GHMZBOCLSA-N 1 2 264.329 1.903 20 30 CDEDLO COCc1noc([C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595620260 343111266 /nfs/dbraw/zinc/11/12/66/343111266.db2.gz LEEGSMRHHBHUGJ-GHMZBOCLSA-N 1 2 264.329 1.903 20 30 CDEDLO C[C@H](c1nnnn1C1CC1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595623202 343112316 /nfs/dbraw/zinc/11/23/16/343112316.db2.gz JQYFWSWWROWPJY-MNOVXSKESA-N 1 2 260.345 1.695 20 30 CDEDLO C[C@H](c1nnnn1C1CC1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623202 343112317 /nfs/dbraw/zinc/11/23/17/343112317.db2.gz JQYFWSWWROWPJY-MNOVXSKESA-N 1 2 260.345 1.695 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000595826248 343166822 /nfs/dbraw/zinc/16/68/22/343166822.db2.gz KVYODFBNEPHVPY-CABCVRRESA-N 1 2 274.364 1.925 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000595826248 343166823 /nfs/dbraw/zinc/16/68/23/343166823.db2.gz KVYODFBNEPHVPY-CABCVRRESA-N 1 2 274.364 1.925 20 30 CDEDLO CC[N@H+](CCC#N)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000081040871 342363461 /nfs/dbraw/zinc/36/34/61/342363461.db2.gz IVKARWUOKXNJOY-CYBMUJFWSA-N 1 2 293.323 1.570 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000081040871 342363462 /nfs/dbraw/zinc/36/34/62/342363462.db2.gz IVKARWUOKXNJOY-CYBMUJFWSA-N 1 2 293.323 1.570 20 30 CDEDLO CCc1nc(C#N)cc(N[C@H](C)c2[nH+]ccn2CC)n1 ZINC000596256432 343275933 /nfs/dbraw/zinc/27/59/33/343275933.db2.gz ANRHKVMHTZPNFW-SNVBAGLBSA-N 1 2 270.340 1.722 20 30 CDEDLO C=CCCSCCNc1nc[nH+]c(N)c1Cl ZINC000596413923 343315591 /nfs/dbraw/zinc/31/55/91/343315591.db2.gz ZRVCYFDQKPNJFZ-UHFFFAOYSA-N 1 2 258.778 1.855 20 30 CDEDLO C=CCCSCCNc1[nH+]cnc(N)c1Cl ZINC000596413923 343315594 /nfs/dbraw/zinc/31/55/94/343315594.db2.gz ZRVCYFDQKPNJFZ-UHFFFAOYSA-N 1 2 258.778 1.855 20 30 CDEDLO C=CCOC[C@H]([NH2+]C1CCC(OCC)CC1)C(=O)OC ZINC000597116166 343457647 /nfs/dbraw/zinc/45/76/47/343457647.db2.gz DTAVRDVYWHKXAN-RUXDESIVSA-N 1 2 285.384 1.668 20 30 CDEDLO C=CCOC[C@@H]([NH2+]C1CCC(OCC)CC1)C(=O)OC ZINC000597116165 343457668 /nfs/dbraw/zinc/45/76/68/343457668.db2.gz DTAVRDVYWHKXAN-JXQTWKCFSA-N 1 2 285.384 1.668 20 30 CDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccnc1 ZINC000154918102 136395332 /nfs/dbraw/zinc/39/53/32/136395332.db2.gz OCKVRQAGXKINLU-ZDUSSCGKSA-N 1 2 294.362 1.454 20 30 CDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccnc1 ZINC000154918102 136395333 /nfs/dbraw/zinc/39/53/33/136395333.db2.gz OCKVRQAGXKINLU-ZDUSSCGKSA-N 1 2 294.362 1.454 20 30 CDEDLO COCC[N@@H+](CCC#N)CCOC[C@H]1CCCO1 ZINC000072689141 349812227 /nfs/dbraw/zinc/81/22/27/349812227.db2.gz LZHRNSSRNINAPN-CYBMUJFWSA-N 1 2 256.346 1.044 20 30 CDEDLO COCC[N@H+](CCC#N)CCOC[C@H]1CCCO1 ZINC000072689141 349812232 /nfs/dbraw/zinc/81/22/32/349812232.db2.gz LZHRNSSRNINAPN-CYBMUJFWSA-N 1 2 256.346 1.044 20 30 CDEDLO N#Cc1ccc2c(c1)CCN2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000597774240 343631647 /nfs/dbraw/zinc/63/16/47/343631647.db2.gz WVONFJZNCTWOLW-AWEZNQCLSA-N 1 2 292.342 1.906 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000353275621 529842538 /nfs/dbraw/zinc/84/25/38/529842538.db2.gz SHHDZZJKMYKAAS-AWEZNQCLSA-N 1 2 293.411 1.495 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000353275621 529842539 /nfs/dbraw/zinc/84/25/39/529842539.db2.gz SHHDZZJKMYKAAS-AWEZNQCLSA-N 1 2 293.411 1.495 20 30 CDEDLO C[C@@H](NC(=O)c1ccc(C#N)n1C)c1[nH+]ccn1C ZINC000598463790 343805956 /nfs/dbraw/zinc/80/59/56/343805956.db2.gz CGWSNOAHHNIHLR-SECBINFHSA-N 1 2 257.297 1.121 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000598605950 343852089 /nfs/dbraw/zinc/85/20/89/343852089.db2.gz FEQPBSVLRIBGMD-KGLIPLIRSA-N 1 2 299.378 1.784 20 30 CDEDLO CC(=Cc1cn(C)c[nH+]1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000619743351 349885336 /nfs/dbraw/zinc/88/53/36/349885336.db2.gz TVVMQOMFQLYUBW-XBXARRHUSA-N 1 2 255.281 1.244 20 30 CDEDLO Cc1nccnc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000598679049 343875624 /nfs/dbraw/zinc/87/56/24/343875624.db2.gz OHNMRSWKOCMMAS-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ncnc2ccsc21 ZINC000598836508 343914568 /nfs/dbraw/zinc/91/45/68/343914568.db2.gz LAWJJJUBGXBRLD-ZDUSSCGKSA-N 1 2 289.364 1.265 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCc2cnc(N)nc2C1 ZINC000598950114 343933614 /nfs/dbraw/zinc/93/36/14/343933614.db2.gz OOZFGRAFCVMLKJ-UHFFFAOYSA-N 1 2 295.346 1.328 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCc2cnc(N)nc2C1 ZINC000598950114 343933616 /nfs/dbraw/zinc/93/36/16/343933616.db2.gz OOZFGRAFCVMLKJ-UHFFFAOYSA-N 1 2 295.346 1.328 20 30 CDEDLO N#Cc1cccc(CN2CC[NH+](Cc3cn[nH]c3)CC2)c1F ZINC000599438085 344047766 /nfs/dbraw/zinc/04/77/66/344047766.db2.gz CJXUKHPSLJEAMZ-UHFFFAOYSA-N 1 2 299.353 1.738 20 30 CDEDLO Cn1nccc1[C@@H]1c2[nH]c[nH+]c2CCN1CCCC#N ZINC000599446799 344051245 /nfs/dbraw/zinc/05/12/45/344051245.db2.gz ZANRNXWNZMJBSI-CQSZACIVSA-N 1 2 270.340 1.394 20 30 CDEDLO CCC(C#N)(CC)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000599540933 344086945 /nfs/dbraw/zinc/08/69/45/344086945.db2.gz DLSJSTJNDZVBQX-LBPRGKRZSA-N 1 2 262.357 1.965 20 30 CDEDLO CCC(C#N)(CC)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000600091696 344176278 /nfs/dbraw/zinc/17/62/78/344176278.db2.gz JAVZWTVJZJEELD-QWHCGFSZSA-N 1 2 281.400 1.542 20 30 CDEDLO CCC(C#N)(CC)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000600091696 344176282 /nfs/dbraw/zinc/17/62/82/344176282.db2.gz JAVZWTVJZJEELD-QWHCGFSZSA-N 1 2 281.400 1.542 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)S(=O)(=O)CC(C)(C)CC#N ZINC000601533132 344184881 /nfs/dbraw/zinc/18/48/81/344184881.db2.gz XUMPSZUQXDZCKV-UHFFFAOYSA-N 1 2 270.358 1.111 20 30 CDEDLO Cn1ccnc1[C@H](C1CC1)[NH+]1CCN(CC#N)CC1 ZINC000602454685 344436111 /nfs/dbraw/zinc/43/61/11/344436111.db2.gz NXFBWCIOFYEGAJ-ZDUSSCGKSA-N 1 2 259.357 1.012 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)C(=O)OC ZINC000602642740 344512718 /nfs/dbraw/zinc/51/27/18/344512718.db2.gz LXGIHGNYINXUHJ-NWDGAFQWSA-N 1 2 271.357 1.278 20 30 CDEDLO CCOC(=O)c1ccc(C[N@@H+]2CC[C@](O)(CC#N)C2)[nH]1 ZINC000602696911 344543539 /nfs/dbraw/zinc/54/35/39/344543539.db2.gz LUOMYKPEIJYFEJ-CQSZACIVSA-N 1 2 277.324 1.042 20 30 CDEDLO CCOC(=O)c1ccc(C[N@H+]2CC[C@](O)(CC#N)C2)[nH]1 ZINC000602696911 344543540 /nfs/dbraw/zinc/54/35/40/344543540.db2.gz LUOMYKPEIJYFEJ-CQSZACIVSA-N 1 2 277.324 1.042 20 30 CDEDLO Cn1ccnc1[C@H](C1CC1)[NH+]1CCN(CCC#N)CC1 ZINC000602751376 344580285 /nfs/dbraw/zinc/58/02/85/344580285.db2.gz JUYDILKTPPCZTK-AWEZNQCLSA-N 1 2 273.384 1.402 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N1CCc2sccc2C1 ZINC000602862895 344617748 /nfs/dbraw/zinc/61/77/48/344617748.db2.gz MMEQTWJRUNHEMK-GHMZBOCLSA-N 1 2 277.393 1.913 20 30 CDEDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1 ZINC000602847247 344624362 /nfs/dbraw/zinc/62/43/62/344624362.db2.gz JYULCODNZVBVII-FRRDWIJNSA-N 1 2 271.364 1.998 20 30 CDEDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1Cc1ccc(C#N)cc1 ZINC000602847247 344624363 /nfs/dbraw/zinc/62/43/63/344624363.db2.gz JYULCODNZVBVII-FRRDWIJNSA-N 1 2 271.364 1.998 20 30 CDEDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[NH2+][C@@H](C)CC#N ZINC000602865852 344638309 /nfs/dbraw/zinc/63/83/09/344638309.db2.gz ZSQMFIHNORXTQD-WDEREUQCSA-N 1 2 295.333 1.904 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCCc1cccc2cccnc21 ZINC000602869104 344639830 /nfs/dbraw/zinc/63/98/30/344639830.db2.gz MGKZRVMBAZPHNZ-ZDUSSCGKSA-N 1 2 296.374 1.785 20 30 CDEDLO CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612165162 347067670 /nfs/dbraw/zinc/06/76/70/347067670.db2.gz JHQOEUBTBOFAFT-DZGCQCFKSA-N 1 2 281.400 1.543 20 30 CDEDLO CCOCCCNC(=O)[C@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612165162 347067672 /nfs/dbraw/zinc/06/76/72/347067672.db2.gz JHQOEUBTBOFAFT-DZGCQCFKSA-N 1 2 281.400 1.543 20 30 CDEDLO C[NH+]1CCC2(CCCN2C(=O)NCCn2cccn2)CC1 ZINC000329066781 530051055 /nfs/dbraw/zinc/05/10/55/530051055.db2.gz LPKBXOQAXCEWBM-UHFFFAOYSA-N 1 2 291.399 1.357 20 30 CDEDLO CCC(CC)C(=O)N1CC[NH+](CCCC#N)CC1 ZINC000603837813 344839213 /nfs/dbraw/zinc/83/92/13/344839213.db2.gz ISLYYSRGMOORGH-UHFFFAOYSA-N 1 2 251.374 1.871 20 30 CDEDLO C[C@@H](NC(=O)C1(C#N)CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000408078425 260217304 /nfs/dbraw/zinc/21/73/04/260217304.db2.gz CFEYRMGEXWEEJB-OLZOCXBDSA-N 1 2 279.384 1.296 20 30 CDEDLO CC1(C[N@@H+]2CCC[C@]3(CCCCO3)[C@H]2C#N)COC1 ZINC000447910955 362555034 /nfs/dbraw/zinc/55/50/34/362555034.db2.gz YUKVYJVGNVLUNS-UKRRQHHQSA-N 1 2 264.369 1.950 20 30 CDEDLO CC1(C[N@H+]2CCC[C@]3(CCCCO3)[C@H]2C#N)COC1 ZINC000447910955 362555038 /nfs/dbraw/zinc/55/50/38/362555038.db2.gz YUKVYJVGNVLUNS-UKRRQHHQSA-N 1 2 264.369 1.950 20 30 CDEDLO C[C@H]1CO[C@H](CO)C[N@@H+]1CCOc1ccccc1C#N ZINC000129228390 362535927 /nfs/dbraw/zinc/53/59/27/362535927.db2.gz NWNBMACAYZUHEB-JSGCOSHPSA-N 1 2 276.336 1.019 20 30 CDEDLO C[C@H]1CO[C@H](CO)C[N@H+]1CCOc1ccccc1C#N ZINC000129228390 362535935 /nfs/dbraw/zinc/53/59/35/362535935.db2.gz NWNBMACAYZUHEB-JSGCOSHPSA-N 1 2 276.336 1.019 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCO[C@@H](C(C)C)C2)C1=O ZINC000337178963 345065084 /nfs/dbraw/zinc/06/50/84/345065084.db2.gz KTLUJHORDCQHEE-CHWSQXEVSA-N 1 2 252.358 1.130 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCO[C@@H](C(C)C)C2)C1=O ZINC000337178963 345065087 /nfs/dbraw/zinc/06/50/87/345065087.db2.gz KTLUJHORDCQHEE-CHWSQXEVSA-N 1 2 252.358 1.130 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000120580149 362583854 /nfs/dbraw/zinc/58/38/54/362583854.db2.gz FSCXGIGQOCZRLE-ZDUSSCGKSA-N 1 2 273.336 1.407 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1C(N)=O ZINC000120580149 362583858 /nfs/dbraw/zinc/58/38/58/362583858.db2.gz FSCXGIGQOCZRLE-ZDUSSCGKSA-N 1 2 273.336 1.407 20 30 CDEDLO Cc1cc(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)on1 ZINC000609538814 345595371 /nfs/dbraw/zinc/59/53/71/345595371.db2.gz YGFMHYVWIXBABL-AWEZNQCLSA-N 1 2 262.357 1.649 20 30 CDEDLO C=CCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H](C)COC ZINC000617582780 345868098 /nfs/dbraw/zinc/86/80/98/345868098.db2.gz VFCHEANNFGOZCQ-NSHDSACASA-N 1 2 251.330 1.392 20 30 CDEDLO C=CCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H](C)COC ZINC000617582780 345868102 /nfs/dbraw/zinc/86/81/02/345868102.db2.gz VFCHEANNFGOZCQ-NSHDSACASA-N 1 2 251.330 1.392 20 30 CDEDLO C=CC[C@@H]1CCCN(C(=O)[C@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000617780689 345968697 /nfs/dbraw/zinc/96/86/97/345968697.db2.gz ZHVWJZFBCNHJHE-HIFRSBDPSA-N 1 2 290.411 1.838 20 30 CDEDLO CCC[C@H](C(=O)OCC)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000610133223 346208534 /nfs/dbraw/zinc/20/85/34/346208534.db2.gz QZKXCGXLQCDIRA-HUUCEWRRSA-N 1 2 295.427 1.884 20 30 CDEDLO N#CCNC(=O)C[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000610432510 346279921 /nfs/dbraw/zinc/27/99/21/346279921.db2.gz YVIICMDONVSDSZ-UHFFFAOYSA-N 1 2 287.338 1.945 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610504901 346297376 /nfs/dbraw/zinc/29/73/76/346297376.db2.gz HAPLLABSRDJVLK-CYBMUJFWSA-N 1 2 291.326 1.584 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610504901 346297381 /nfs/dbraw/zinc/29/73/81/346297381.db2.gz HAPLLABSRDJVLK-CYBMUJFWSA-N 1 2 291.326 1.584 20 30 CDEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H]2CCN(C(C)C)C2=O)CC1 ZINC000610481142 346291178 /nfs/dbraw/zinc/29/11/78/346291178.db2.gz KFDURIAOMJDYRF-LSDHHAIUSA-N 1 2 292.427 1.161 20 30 CDEDLO N#CCCn1ncc2c1nc[nH+]c2N1C[C@@H]2CCC[C@@H]2C1 ZINC000610685465 346354279 /nfs/dbraw/zinc/35/42/79/346354279.db2.gz SYBCBUZETNUFLV-TXEJJXNPSA-N 1 2 282.351 1.976 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610729937 346384029 /nfs/dbraw/zinc/38/40/29/346384029.db2.gz PEYSPPGGWZBBPD-UKRRQHHQSA-N 1 2 287.363 1.726 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610729937 346384030 /nfs/dbraw/zinc/38/40/30/346384030.db2.gz PEYSPPGGWZBBPD-UKRRQHHQSA-N 1 2 287.363 1.726 20 30 CDEDLO C[C@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CC(=O)N1 ZINC000449521780 362743800 /nfs/dbraw/zinc/74/38/00/362743800.db2.gz HIZBDHPFOQNXEM-ZDUSSCGKSA-N 1 2 287.363 1.689 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CC(=O)N1 ZINC000449521780 362743806 /nfs/dbraw/zinc/74/38/06/362743806.db2.gz HIZBDHPFOQNXEM-ZDUSSCGKSA-N 1 2 287.363 1.689 20 30 CDEDLO COC(=O)c1oc(C[NH+]2CCN(CCC#N)CC2)cc1C ZINC000611173817 346627422 /nfs/dbraw/zinc/62/74/22/346627422.db2.gz MBAAGOBYQOJTKH-UHFFFAOYSA-N 1 2 291.351 1.406 20 30 CDEDLO CC(C)CCNC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611175121 346629463 /nfs/dbraw/zinc/62/94/63/346629463.db2.gz UHNCVQYMUHFCOS-AWEZNQCLSA-N 1 2 280.416 1.068 20 30 CDEDLO N#CCCN1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000611175581 346631897 /nfs/dbraw/zinc/63/18/97/346631897.db2.gz GYDSYEVBZZMEDX-UHFFFAOYSA-N 1 2 271.339 1.708 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000611175585 346631988 /nfs/dbraw/zinc/63/19/88/346631988.db2.gz ITEFPXDPZGRNMT-UHFFFAOYSA-N 1 2 287.363 1.489 20 30 CDEDLO CCOCC[NH+]1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000266187111 136600412 /nfs/dbraw/zinc/60/04/12/136600412.db2.gz BDVDHSVTPIZXAY-UHFFFAOYSA-N 1 2 295.333 1.995 20 30 CDEDLO N#CCC[N@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000611290075 346737440 /nfs/dbraw/zinc/73/74/40/346737440.db2.gz OGLDFYHMPWDPDX-ZDUSSCGKSA-N 1 2 269.414 1.040 20 30 CDEDLO N#CCC[N@@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000611290075 346737443 /nfs/dbraw/zinc/73/74/43/346737443.db2.gz OGLDFYHMPWDPDX-ZDUSSCGKSA-N 1 2 269.414 1.040 20 30 CDEDLO C=CCC1(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CCCC1 ZINC000449849107 362776134 /nfs/dbraw/zinc/77/61/34/362776134.db2.gz MBPNTYCEPHDCNJ-OAHLLOKOSA-N 1 2 293.455 1.875 20 30 CDEDLO CC[N@@H+](CC(=O)NCc1ccccc1OC)C[C@@H](C)C#N ZINC000066424532 347486058 /nfs/dbraw/zinc/48/60/58/347486058.db2.gz QEMYPTQQXMRJJZ-ZDUSSCGKSA-N 1 2 289.379 1.793 20 30 CDEDLO CC[N@H+](CC(=O)NCc1ccccc1OC)C[C@@H](C)C#N ZINC000066424532 347486060 /nfs/dbraw/zinc/48/60/60/347486060.db2.gz QEMYPTQQXMRJJZ-ZDUSSCGKSA-N 1 2 289.379 1.793 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCCO[C@@H]1CCCCO1 ZINC000491299157 347580243 /nfs/dbraw/zinc/58/02/43/347580243.db2.gz YPUOWONFNBLOHE-ZIAGYGMSSA-N 1 2 253.342 1.254 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCCO[C@@H]1CCCCO1 ZINC000491299157 347580246 /nfs/dbraw/zinc/58/02/46/347580246.db2.gz YPUOWONFNBLOHE-ZIAGYGMSSA-N 1 2 253.342 1.254 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000619721496 348198645 /nfs/dbraw/zinc/19/86/45/348198645.db2.gz QRHWTOCIJJBMPX-LLVKDONJSA-N 1 2 271.382 1.312 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCSC2(CCOCC2)C1 ZINC000619721496 348198647 /nfs/dbraw/zinc/19/86/47/348198647.db2.gz QRHWTOCIJJBMPX-LLVKDONJSA-N 1 2 271.382 1.312 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1c(F)cccc1[N+](=O)[O-] ZINC000414125522 362921223 /nfs/dbraw/zinc/92/12/23/362921223.db2.gz MXEYDUPLXBMLBH-JTQLQIEISA-N 1 2 297.286 1.319 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1c(F)cccc1[N+](=O)[O-] ZINC000414125522 362921227 /nfs/dbraw/zinc/92/12/27/362921227.db2.gz MXEYDUPLXBMLBH-JTQLQIEISA-N 1 2 297.286 1.319 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1O ZINC000615431372 348507692 /nfs/dbraw/zinc/50/76/92/348507692.db2.gz XNNKOKGDCXOVEN-AWEZNQCLSA-N 1 2 296.330 1.938 20 30 CDEDLO N#C[C@@]1(F)CCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000615530467 348577090 /nfs/dbraw/zinc/57/70/90/348577090.db2.gz IFVOOFFNSQLHKZ-LBPRGKRZSA-N 1 2 258.260 1.104 20 30 CDEDLO C[C@H](C#N)CN(C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000046286719 348789113 /nfs/dbraw/zinc/78/91/13/348789113.db2.gz WUUWHRJDFJLPDG-LLVKDONJSA-N 1 2 275.356 1.449 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000066470224 348984891 /nfs/dbraw/zinc/98/48/91/348984891.db2.gz ACKRVWKPFTUPNO-GFCCVEGCSA-N 1 2 295.408 1.528 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000066470224 348984894 /nfs/dbraw/zinc/98/48/94/348984894.db2.gz ACKRVWKPFTUPNO-GFCCVEGCSA-N 1 2 295.408 1.528 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000073022956 349146922 /nfs/dbraw/zinc/14/69/22/349146922.db2.gz IVFYSKAMKYLBBS-SNVBAGLBSA-N 1 2 294.351 1.497 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000073022956 349146925 /nfs/dbraw/zinc/14/69/25/349146925.db2.gz IVFYSKAMKYLBBS-SNVBAGLBSA-N 1 2 294.351 1.497 20 30 CDEDLO C[C@H](c1nncn1C)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292261974 198222109 /nfs/dbraw/zinc/22/21/09/198222109.db2.gz RNSOFZMVMSQTPL-DGCLKSJQSA-N 1 2 298.350 1.296 20 30 CDEDLO C[C@H](c1nncn1C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292261974 198222111 /nfs/dbraw/zinc/22/21/11/198222111.db2.gz RNSOFZMVMSQTPL-DGCLKSJQSA-N 1 2 298.350 1.296 20 30 CDEDLO CS(=O)(=O)C[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000292343492 198252645 /nfs/dbraw/zinc/25/26/45/198252645.db2.gz VBBJFAMNZHPIAZ-AWEZNQCLSA-N 1 2 295.379 1.544 20 30 CDEDLO CS(=O)(=O)C[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000292343492 198252647 /nfs/dbraw/zinc/25/26/47/198252647.db2.gz VBBJFAMNZHPIAZ-AWEZNQCLSA-N 1 2 295.379 1.544 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000154208641 188129438 /nfs/dbraw/zinc/12/94/38/188129438.db2.gz PXZPJTOTEPBWRA-HNNXBMFYSA-N 1 2 279.286 1.764 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000154208641 188129439 /nfs/dbraw/zinc/12/94/39/188129439.db2.gz PXZPJTOTEPBWRA-HNNXBMFYSA-N 1 2 279.286 1.764 20 30 CDEDLO C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000155564894 188214135 /nfs/dbraw/zinc/21/41/35/188214135.db2.gz AYDIHZYOZHODRD-VIFPVBQESA-N 1 2 261.325 1.718 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000156499514 188266006 /nfs/dbraw/zinc/26/60/06/188266006.db2.gz NWEVNDKRTGDWTI-OLZOCXBDSA-N 1 2 252.358 1.296 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000156499514 188266008 /nfs/dbraw/zinc/26/60/08/188266008.db2.gz NWEVNDKRTGDWTI-OLZOCXBDSA-N 1 2 252.358 1.296 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCc2cccc(F)c2C1 ZINC000157964547 188350239 /nfs/dbraw/zinc/35/02/39/188350239.db2.gz COZUYOBXDGWJKB-NSHDSACASA-N 1 2 260.312 1.322 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCc2cccc(F)c2C1 ZINC000157964547 188350240 /nfs/dbraw/zinc/35/02/40/188350240.db2.gz COZUYOBXDGWJKB-NSHDSACASA-N 1 2 260.312 1.322 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1cccnc1 ZINC000493158434 366195369 /nfs/dbraw/zinc/19/53/69/366195369.db2.gz OZNXNGDYMHPJIL-PSKZRQQASA-N 1 2 258.325 1.055 20 30 CDEDLO C=CC[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000186759274 355982436 /nfs/dbraw/zinc/98/24/36/355982436.db2.gz RZQUTFRSZAAZML-UHFFFAOYSA-N 1 2 278.303 1.865 20 30 CDEDLO CNC(=O)c1ccc(C[N@H+](C)C[C@H](C#N)CCC#N)cc1 ZINC000030533836 356749714 /nfs/dbraw/zinc/74/97/14/356749714.db2.gz DBFHMHCKQWNNDG-AWEZNQCLSA-N 1 2 284.363 1.922 20 30 CDEDLO CNC(=O)c1ccc(C[N@@H+](C)C[C@H](C#N)CCC#N)cc1 ZINC000030533836 356749717 /nfs/dbraw/zinc/74/97/17/356749717.db2.gz DBFHMHCKQWNNDG-AWEZNQCLSA-N 1 2 284.363 1.922 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(CO)CC1 ZINC000048347252 356795501 /nfs/dbraw/zinc/79/55/01/356795501.db2.gz WWPCHXQBVOYOEL-UHFFFAOYSA-N 1 2 279.365 1.263 20 30 CDEDLO Cn1cc(C[N@H+](C)CCOCc2ccc(C#N)cc2)nn1 ZINC000344061692 356876555 /nfs/dbraw/zinc/87/65/55/356876555.db2.gz AXVUPOZQKXZDBH-UHFFFAOYSA-N 1 2 285.351 1.335 20 30 CDEDLO Cn1cc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)nn1 ZINC000344061692 356876558 /nfs/dbraw/zinc/87/65/58/356876558.db2.gz AXVUPOZQKXZDBH-UHFFFAOYSA-N 1 2 285.351 1.335 20 30 CDEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NC(=O)NCC=C ZINC000298615189 356905722 /nfs/dbraw/zinc/90/57/22/356905722.db2.gz UEZDTODKQDUXKH-CQSZACIVSA-N 1 2 299.374 1.522 20 30 CDEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NC(=O)NCC=C ZINC000298615189 356905725 /nfs/dbraw/zinc/90/57/25/356905725.db2.gz UEZDTODKQDUXKH-CQSZACIVSA-N 1 2 299.374 1.522 20 30 CDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CC(N)=O ZINC000299049541 356968989 /nfs/dbraw/zinc/96/89/89/356968989.db2.gz PJRMKZPIYBNUSK-NSHDSACASA-N 1 2 295.408 1.068 20 30 CDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CC(N)=O ZINC000299049541 356968991 /nfs/dbraw/zinc/96/89/91/356968991.db2.gz PJRMKZPIYBNUSK-NSHDSACASA-N 1 2 295.408 1.068 20 30 CDEDLO C=CCSCCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000299342121 357034643 /nfs/dbraw/zinc/03/46/43/357034643.db2.gz UEGQRWWGRLFZLB-LLVKDONJSA-N 1 2 268.386 1.490 20 30 CDEDLO COC(=O)C[N@H+](Cc1ccc(F)c(C#N)c1)C1CC1 ZINC000344421265 357002164 /nfs/dbraw/zinc/00/21/64/357002164.db2.gz ZFTHJOSIJJJEMX-UHFFFAOYSA-N 1 2 262.284 1.835 20 30 CDEDLO COC(=O)C[N@@H+](Cc1ccc(F)c(C#N)c1)C1CC1 ZINC000344421265 357002170 /nfs/dbraw/zinc/00/21/70/357002170.db2.gz ZFTHJOSIJJJEMX-UHFFFAOYSA-N 1 2 262.284 1.835 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000115577830 357301427 /nfs/dbraw/zinc/30/14/27/357301427.db2.gz UPIATQMYCSCZCS-AWEZNQCLSA-N 1 2 293.411 1.782 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000115577830 357301432 /nfs/dbraw/zinc/30/14/32/357301432.db2.gz UPIATQMYCSCZCS-AWEZNQCLSA-N 1 2 293.411 1.782 20 30 CDEDLO CC(C)(C)OC(=O)CNC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000181943231 357392347 /nfs/dbraw/zinc/39/23/47/357392347.db2.gz GSFRUYNGUVBSDQ-UHFFFAOYSA-N 1 2 295.383 1.070 20 30 CDEDLO CC(C)(C)OC(=O)CNC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000181943231 357392354 /nfs/dbraw/zinc/39/23/54/357392354.db2.gz GSFRUYNGUVBSDQ-UHFFFAOYSA-N 1 2 295.383 1.070 20 30 CDEDLO CC1(C)C[S@@](=O)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000334357635 357574993 /nfs/dbraw/zinc/57/49/93/357574993.db2.gz QMDNDHTWBQQYCM-SFHVURJKSA-N 1 2 262.378 1.901 20 30 CDEDLO CC1(C)C[S@@](=O)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000334357635 357574996 /nfs/dbraw/zinc/57/49/96/357574996.db2.gz QMDNDHTWBQQYCM-SFHVURJKSA-N 1 2 262.378 1.901 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@]12CCOC2=O ZINC000186631936 357670602 /nfs/dbraw/zinc/67/06/02/357670602.db2.gz PVBNZDSNUWBNQO-MRXNPFEDSA-N 1 2 286.331 1.848 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@]12CCOC2=O ZINC000186631936 357670607 /nfs/dbraw/zinc/67/06/07/357670607.db2.gz PVBNZDSNUWBNQO-MRXNPFEDSA-N 1 2 286.331 1.848 20 30 CDEDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592153006 358588176 /nfs/dbraw/zinc/58/81/76/358588176.db2.gz HKYVAQQGHNHANE-CQSZACIVSA-N 1 2 291.307 1.454 20 30 CDEDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592153006 358588181 /nfs/dbraw/zinc/58/81/81/358588181.db2.gz HKYVAQQGHNHANE-CQSZACIVSA-N 1 2 291.307 1.454 20 30 CDEDLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1ccccc1C#N ZINC000185110108 358773151 /nfs/dbraw/zinc/77/31/51/358773151.db2.gz LWPDBIYBTDENDW-APPDUMDISA-N 1 2 250.367 1.757 20 30 CDEDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1ccccc1C#N ZINC000185110108 358773154 /nfs/dbraw/zinc/77/31/54/358773154.db2.gz LWPDBIYBTDENDW-APPDUMDISA-N 1 2 250.367 1.757 20 30 CDEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@](C)(C#N)CSC ZINC000493607678 366484524 /nfs/dbraw/zinc/48/45/24/366484524.db2.gz ASDSKCWYNCHZKT-GFUIURDCSA-N 1 2 278.381 1.678 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCOc2ccccc2C1)C1CC1 ZINC000603868963 358990873 /nfs/dbraw/zinc/99/08/73/358990873.db2.gz ZJXSIQXPTWETOA-QGZVFWFLSA-N 1 2 299.374 1.689 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCOc2ccccc2C1)C1CC1 ZINC000603868963 358990876 /nfs/dbraw/zinc/99/08/76/358990876.db2.gz ZJXSIQXPTWETOA-QGZVFWFLSA-N 1 2 299.374 1.689 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)NCCn1cc[nH+]c1 ZINC000050108035 359312752 /nfs/dbraw/zinc/31/27/52/359312752.db2.gz JROKLWWNLDQHHM-UHFFFAOYSA-N 1 2 285.307 1.585 20 30 CDEDLO C#CCOc1ccc(C[NH+]2CCN(C(=O)NC)CC2)cc1 ZINC000271205418 359427481 /nfs/dbraw/zinc/42/74/81/359427481.db2.gz ZOYLVOMFYPQVKZ-UHFFFAOYSA-N 1 2 287.363 1.156 20 30 CDEDLO CC#CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000277451363 359564064 /nfs/dbraw/zinc/56/40/64/359564064.db2.gz OHYWRQLQQOEUCF-UHFFFAOYSA-N 1 2 286.379 1.580 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000279588650 359588442 /nfs/dbraw/zinc/58/84/42/359588442.db2.gz NWPYIYLOESXVAB-OAHLLOKOSA-N 1 2 278.396 1.688 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000279588650 359588446 /nfs/dbraw/zinc/58/84/46/359588446.db2.gz NWPYIYLOESXVAB-OAHLLOKOSA-N 1 2 278.396 1.688 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(CC)CCCC)C1=O ZINC000337217729 360034367 /nfs/dbraw/zinc/03/43/67/360034367.db2.gz BLDBZCNMWJFDBA-AWEZNQCLSA-N 1 2 295.427 1.354 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(CC)CCCC)C1=O ZINC000337217729 360034370 /nfs/dbraw/zinc/03/43/70/360034370.db2.gz BLDBZCNMWJFDBA-AWEZNQCLSA-N 1 2 295.427 1.354 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(C)nc2)C1=O ZINC000337243829 360043778 /nfs/dbraw/zinc/04/37/78/360043778.db2.gz HTXGDUYWXPXGEP-ZDUSSCGKSA-N 1 2 260.341 1.004 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(C)nc2)C1=O ZINC000337243829 360043780 /nfs/dbraw/zinc/04/37/80/360043780.db2.gz HTXGDUYWXPXGEP-ZDUSSCGKSA-N 1 2 260.341 1.004 20 30 CDEDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1ccc(C#N)o1 ZINC000451925394 360233416 /nfs/dbraw/zinc/23/34/16/360233416.db2.gz FNZNNUJTXRQQBG-SECBINFHSA-N 1 2 294.336 1.407 20 30 CDEDLO N#CCCC1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000335417722 360244070 /nfs/dbraw/zinc/24/40/70/360244070.db2.gz MBENWXNIKYXQDM-LLVKDONJSA-N 1 2 271.311 1.526 20 30 CDEDLO C=CC[N@@H+](C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000177457063 189052918 /nfs/dbraw/zinc/05/29/18/189052918.db2.gz STFBCJRGFQRTRV-UHFFFAOYSA-N 1 2 264.325 1.760 20 30 CDEDLO C=CC[N@H+](C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000177457063 189052919 /nfs/dbraw/zinc/05/29/19/189052919.db2.gz STFBCJRGFQRTRV-UHFFFAOYSA-N 1 2 264.325 1.760 20 30 CDEDLO CC[N@@H+](CC(=O)N1CCCC[C@@H]1C)C[C@H](C)C#N ZINC000157660801 360943571 /nfs/dbraw/zinc/94/35/71/360943571.db2.gz UQRWTZFEGRQKQP-OLZOCXBDSA-N 1 2 251.374 1.869 20 30 CDEDLO CC[N@H+](CC(=O)N1CCCC[C@@H]1C)C[C@H](C)C#N ZINC000157660801 360943576 /nfs/dbraw/zinc/94/35/76/360943576.db2.gz UQRWTZFEGRQKQP-OLZOCXBDSA-N 1 2 251.374 1.869 20 30 CDEDLO CN(Cc1ccco1)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433301130 361229464 /nfs/dbraw/zinc/22/94/64/361229464.db2.gz FUYLIDMCAHUIDH-UHFFFAOYSA-N 1 2 263.341 1.720 20 30 CDEDLO CN(Cc1ccco1)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433301130 361229470 /nfs/dbraw/zinc/22/94/70/361229470.db2.gz FUYLIDMCAHUIDH-UHFFFAOYSA-N 1 2 263.341 1.720 20 30 CDEDLO CN(C)c1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1F ZINC000566308535 370680257 /nfs/dbraw/zinc/68/02/57/370680257.db2.gz IBSMPWHAYFMWDT-HNNXBMFYSA-N 1 2 292.358 1.465 20 30 CDEDLO C[C@@H]1CN(CC[N@H+](C)CC2(C#N)CC2)C[C@H](C)O1 ZINC000434707035 361349801 /nfs/dbraw/zinc/34/98/01/361349801.db2.gz NDIUWSCNSPYVQR-BETUJISGSA-N 1 2 251.374 1.331 20 30 CDEDLO C[C@@H]1CN(CC[N@@H+](C)CC2(C#N)CC2)C[C@H](C)O1 ZINC000434707035 361349804 /nfs/dbraw/zinc/34/98/04/361349804.db2.gz NDIUWSCNSPYVQR-BETUJISGSA-N 1 2 251.374 1.331 20 30 CDEDLO CCN1CCOC[C@H]1C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000329353591 361488247 /nfs/dbraw/zinc/48/82/47/361488247.db2.gz FEDKYEHHBXXEKW-ZDUSSCGKSA-N 1 2 288.351 1.951 20 30 CDEDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000274136955 239056960 /nfs/dbraw/zinc/05/69/60/239056960.db2.gz JEEHHFRFTVHDCZ-AWEZNQCLSA-N 1 2 278.377 1.567 20 30 CDEDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000274136955 239056968 /nfs/dbraw/zinc/05/69/68/239056968.db2.gz JEEHHFRFTVHDCZ-AWEZNQCLSA-N 1 2 278.377 1.567 20 30 CDEDLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000329662239 361672802 /nfs/dbraw/zinc/67/28/02/361672802.db2.gz PGBIJYYJYKLQEQ-RKDXNWHRSA-N 1 2 279.344 1.197 20 30 CDEDLO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000329662239 361672804 /nfs/dbraw/zinc/67/28/04/361672804.db2.gz PGBIJYYJYKLQEQ-RKDXNWHRSA-N 1 2 279.344 1.197 20 30 CDEDLO C#CC[N@@H+](CC)Cc1cccc(C(=O)OC)c1C#N ZINC000490875288 364443858 /nfs/dbraw/zinc/44/38/58/364443858.db2.gz PHUGHLFZIDWEFF-UHFFFAOYSA-N 1 2 256.305 1.800 20 30 CDEDLO C#CC[N@H+](CC)Cc1cccc(C(=O)OC)c1C#N ZINC000490875288 364443862 /nfs/dbraw/zinc/44/38/62/364443862.db2.gz PHUGHLFZIDWEFF-UHFFFAOYSA-N 1 2 256.305 1.800 20 30 CDEDLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[NH2+][C@@H](C)CC#N ZINC000639724981 364529835 /nfs/dbraw/zinc/52/98/35/364529835.db2.gz FUAWYKVYQSMKEF-SWLSCSKDSA-N 1 2 287.363 1.195 20 30 CDEDLO C=CC[NH+]1CCC(Nc2ncccc2S(C)(=O)=O)CC1 ZINC000302705042 364542028 /nfs/dbraw/zinc/54/20/28/364542028.db2.gz VUWDJVLQVBEOHB-UHFFFAOYSA-N 1 2 295.408 1.547 20 30 CDEDLO CN(CC[NH+]1CCOCC1)Cc1cc(F)ccc1C#N ZINC000160372350 364761809 /nfs/dbraw/zinc/76/18/09/364761809.db2.gz DBMKARAZIKPLMF-UHFFFAOYSA-N 1 2 277.343 1.461 20 30 CDEDLO C[N@H+](CCN1CCOCC1)Cc1cc(F)ccc1C#N ZINC000160372350 364761814 /nfs/dbraw/zinc/76/18/14/364761814.db2.gz DBMKARAZIKPLMF-UHFFFAOYSA-N 1 2 277.343 1.461 20 30 CDEDLO C[N@@H+](CCN1CCOCC1)Cc1cc(F)ccc1C#N ZINC000160372350 364761817 /nfs/dbraw/zinc/76/18/17/364761817.db2.gz DBMKARAZIKPLMF-UHFFFAOYSA-N 1 2 277.343 1.461 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ncc(Cl)s2)nn1 ZINC000641069029 364942767 /nfs/dbraw/zinc/94/27/67/364942767.db2.gz BSZLFGUZGAUZGF-UHFFFAOYSA-N 1 2 281.772 1.549 20 30 CDEDLO N#CCC[NH2+][C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000562993295 364991775 /nfs/dbraw/zinc/99/17/75/364991775.db2.gz DAYGAAWWSMYFHM-SNVBAGLBSA-N 1 2 263.728 1.949 20 30 CDEDLO N#Cc1ccccc1CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062980014 365040459 /nfs/dbraw/zinc/04/04/59/365040459.db2.gz IXEQVJKLXFZCGS-INIZCTEOSA-N 1 2 271.364 1.465 20 30 CDEDLO CC1(C)CCC[N@H+](C[C@H]2CNc3c(C#N)cnn3C2)[C@@H]1C#N ZINC000566678536 370790332 /nfs/dbraw/zinc/79/03/32/370790332.db2.gz GEDQLHCTCDHAJR-TZMCWYRMSA-N 1 2 298.394 1.811 20 30 CDEDLO CC1(C)CCC[N@@H+](C[C@H]2CNc3c(C#N)cnn3C2)[C@@H]1C#N ZINC000566678536 370790336 /nfs/dbraw/zinc/79/03/36/370790336.db2.gz GEDQLHCTCDHAJR-TZMCWYRMSA-N 1 2 298.394 1.811 20 30 CDEDLO CC[N@H+](CCCO)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000270702149 366924606 /nfs/dbraw/zinc/92/46/06/366924606.db2.gz FVYYGPMNEDBRNC-AWEZNQCLSA-N 1 2 276.336 1.477 20 30 CDEDLO CC[N@@H+](CCCO)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000270702149 366924611 /nfs/dbraw/zinc/92/46/11/366924611.db2.gz FVYYGPMNEDBRNC-AWEZNQCLSA-N 1 2 276.336 1.477 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000271080541 366964796 /nfs/dbraw/zinc/96/47/96/366964796.db2.gz YIJGRBBGULGTIM-LBPRGKRZSA-N 1 2 287.363 1.619 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000271080541 366964798 /nfs/dbraw/zinc/96/47/98/366964798.db2.gz YIJGRBBGULGTIM-LBPRGKRZSA-N 1 2 287.363 1.619 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc2c(c1)NC(=O)CO2 ZINC000507567719 367011997 /nfs/dbraw/zinc/01/19/97/367011997.db2.gz RHXVSRAMTNBHSY-SNVBAGLBSA-N 1 2 259.309 1.609 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc2c(c1)NC(=O)CO2 ZINC000507567719 367012006 /nfs/dbraw/zinc/01/20/06/367012006.db2.gz RHXVSRAMTNBHSY-SNVBAGLBSA-N 1 2 259.309 1.609 20 30 CDEDLO COC(=O)[C@H](c1cccnc1)[NH+]1CCC(CC#N)CC1 ZINC000541949025 368708932 /nfs/dbraw/zinc/70/89/32/368708932.db2.gz PYIGAGMXCCIFMS-AWEZNQCLSA-N 1 2 273.336 1.921 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccoc1Cl ZINC000567171127 370902039 /nfs/dbraw/zinc/90/20/39/370902039.db2.gz WTVPUISXCXYTRF-LLVKDONJSA-N 1 2 255.705 1.507 20 30 CDEDLO COCCCNC(=O)C[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000154507939 370924577 /nfs/dbraw/zinc/92/45/77/370924577.db2.gz LLAPLWRRAPJIFW-UHFFFAOYSA-N 1 2 292.354 1.262 20 30 CDEDLO COCCCNC(=O)C[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000154507939 370924582 /nfs/dbraw/zinc/92/45/82/370924582.db2.gz LLAPLWRRAPJIFW-UHFFFAOYSA-N 1 2 292.354 1.262 20 30 CDEDLO N#Cc1cncc(NCc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000420581185 244263562 /nfs/dbraw/zinc/26/35/62/244263562.db2.gz FCTUSEHUTPFSMN-UHFFFAOYSA-N 1 2 280.335 1.956 20 30 CDEDLO C[N@H+](Cc1ccc(F)cc1C#N)[C@]1(CO)CCOC1 ZINC000330800976 203252190 /nfs/dbraw/zinc/25/21/90/203252190.db2.gz IYQHWAZFSOHYMG-AWEZNQCLSA-N 1 2 264.300 1.281 20 30 CDEDLO C[N@@H+](Cc1ccc(F)cc1C#N)[C@]1(CO)CCOC1 ZINC000330800976 203252191 /nfs/dbraw/zinc/25/21/91/203252191.db2.gz IYQHWAZFSOHYMG-AWEZNQCLSA-N 1 2 264.300 1.281 20 30 CDEDLO C=CCC[N@@H+](C)CC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000276382967 193309481 /nfs/dbraw/zinc/30/94/81/193309481.db2.gz IJFZMCDPYVJDMN-UHFFFAOYSA-N 1 2 296.392 1.537 20 30 CDEDLO C=CCC[N@H+](C)CC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000276382967 193309483 /nfs/dbraw/zinc/30/94/83/193309483.db2.gz IJFZMCDPYVJDMN-UHFFFAOYSA-N 1 2 296.392 1.537 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)NCc1ccc(C#N)cc1 ZINC000276574969 193386584 /nfs/dbraw/zinc/38/65/84/193386584.db2.gz KXHFJPCXPPJDNA-UHFFFAOYSA-N 1 2 268.320 1.541 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(C#N)c1 ZINC000582276576 369877990 /nfs/dbraw/zinc/87/79/90/369877990.db2.gz OTBFUNKZGWDFGJ-CQSZACIVSA-N 1 2 256.309 1.132 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1sccc1C#N ZINC000565051949 370339616 /nfs/dbraw/zinc/33/96/16/370339616.db2.gz SMUOYSBMAQJMOM-LBPRGKRZSA-N 1 2 262.338 1.193 20 30 CDEDLO CN(C)C(=O)C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000371782116 370408071 /nfs/dbraw/zinc/40/80/71/370408071.db2.gz SITJFKCJMCSIFZ-LSDHHAIUSA-N 1 2 271.364 1.846 20 30 CDEDLO CN(C)C(=O)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000371782116 370408076 /nfs/dbraw/zinc/40/80/76/370408076.db2.gz SITJFKCJMCSIFZ-LSDHHAIUSA-N 1 2 271.364 1.846 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)N3CC(C)(C#N)C3)cc2n1C ZINC000573537794 371572212 /nfs/dbraw/zinc/57/22/12/371572212.db2.gz JNDGMHISQUPFJJ-UHFFFAOYSA-N 1 2 268.320 1.867 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(F)c(F)c(F)c1 ZINC000573629099 371604041 /nfs/dbraw/zinc/60/40/41/371604041.db2.gz XGIHJIHKVDKKLC-CYBMUJFWSA-N 1 2 285.269 1.678 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1scnc1C ZINC000171750791 372217385 /nfs/dbraw/zinc/21/73/85/372217385.db2.gz FZALDDLMVADTJQ-SNVBAGLBSA-N 1 2 251.355 1.021 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1scnc1C ZINC000171750791 372217392 /nfs/dbraw/zinc/21/73/92/372217392.db2.gz FZALDDLMVADTJQ-SNVBAGLBSA-N 1 2 251.355 1.021 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N[C@H](C)c1[nH]cc[nH+]1)OCC ZINC000578378530 372440020 /nfs/dbraw/zinc/44/00/20/372440020.db2.gz HPQQKTCXNAEQGQ-GHMZBOCLSA-N 1 2 251.330 1.958 20 30 CDEDLO Cc1ccc2[nH+]c(CNC(=O)NC[C@H](C)C#N)cn2c1 ZINC000578570254 372505099 /nfs/dbraw/zinc/50/50/99/372505099.db2.gz QXKMQQRVAKONCE-LLVKDONJSA-N 1 2 271.324 1.602 20 30 CDEDLO CC#CCN(C)C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000579142070 372553554 /nfs/dbraw/zinc/55/35/54/372553554.db2.gz YGMXDDIVAKIGNN-SNVBAGLBSA-N 1 2 287.285 1.938 20 30 CDEDLO Cc1cc(N2CC[C@@H](C(=O)N3CCCC3)C2)c(C#N)c[nH+]1 ZINC000333392710 205283022 /nfs/dbraw/zinc/28/30/22/205283022.db2.gz DFNKZEXPILSYAU-CYBMUJFWSA-N 1 2 284.363 1.710 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)c1cc(C#N)cs1 ZINC000348257642 373096678 /nfs/dbraw/zinc/09/66/78/373096678.db2.gz RNXHGRGJNPYWGT-UHFFFAOYSA-N 1 2 273.317 1.953 20 30 CDEDLO CC[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)C[C@H](C)[S@]1=O ZINC000348543163 373290518 /nfs/dbraw/zinc/29/05/18/373290518.db2.gz FYTVBHQNIZJISW-GEDNVKPRSA-N 1 2 279.409 1.628 20 30 CDEDLO CC[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)C[C@H](C)[S@]1=O ZINC000348543163 373290526 /nfs/dbraw/zinc/29/05/26/373290526.db2.gz FYTVBHQNIZJISW-GEDNVKPRSA-N 1 2 279.409 1.628 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1ccoc1C(=O)OC ZINC000191758205 373534449 /nfs/dbraw/zinc/53/44/49/373534449.db2.gz DWAWLFJFFBKKMS-UHFFFAOYSA-N 1 2 253.298 1.701 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1ccoc1C(=O)OC ZINC000191758205 373534452 /nfs/dbraw/zinc/53/44/52/373534452.db2.gz DWAWLFJFFBKKMS-UHFFFAOYSA-N 1 2 253.298 1.701 20 30 CDEDLO Cc1onc(CC(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1C#N ZINC000354743468 373809820 /nfs/dbraw/zinc/80/98/20/373809820.db2.gz VTXDAANBASYXMH-SNVBAGLBSA-N 1 2 287.323 1.046 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000298473410 373850384 /nfs/dbraw/zinc/85/03/84/373850384.db2.gz QWAWPIHLMCMCNF-STQMWFEESA-N 1 2 287.363 1.284 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000298473410 373850389 /nfs/dbraw/zinc/85/03/89/373850389.db2.gz QWAWPIHLMCMCNF-STQMWFEESA-N 1 2 287.363 1.284 20 30 CDEDLO N#Cc1ccc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)cn1 ZINC000356696666 373864032 /nfs/dbraw/zinc/86/40/32/373864032.db2.gz GCPDZBVTQISKDH-ZDUSSCGKSA-N 1 2 297.318 1.539 20 30 CDEDLO N#Cc1ccc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)cn1 ZINC000356696666 373864039 /nfs/dbraw/zinc/86/40/39/373864039.db2.gz GCPDZBVTQISKDH-ZDUSSCGKSA-N 1 2 297.318 1.539 20 30 CDEDLO CCc1c[nH+]ccc1NC(=O)COc1ccccc1C#N ZINC000357598734 373921287 /nfs/dbraw/zinc/92/12/87/373921287.db2.gz VDBOSKGVAWDEAV-UHFFFAOYSA-N 1 2 281.315 1.955 20 30 CDEDLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361832239 374053712 /nfs/dbraw/zinc/05/37/12/374053712.db2.gz ZSUODPNCMBDHAD-GXFFZTMASA-N 1 2 264.300 1.279 20 30 CDEDLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361832239 374053714 /nfs/dbraw/zinc/05/37/14/374053714.db2.gz ZSUODPNCMBDHAD-GXFFZTMASA-N 1 2 264.300 1.279 20 30 CDEDLO COCC[N@H+](CC(=O)NC1CC1)Cc1ccc(C#N)cc1 ZINC000063754359 374207918 /nfs/dbraw/zinc/20/79/18/374207918.db2.gz WQEKLOMYRPGQIO-UHFFFAOYSA-N 1 2 287.363 1.285 20 30 CDEDLO COCC[N@@H+](CC(=O)NC1CC1)Cc1ccc(C#N)cc1 ZINC000063754359 374207921 /nfs/dbraw/zinc/20/79/21/374207921.db2.gz WQEKLOMYRPGQIO-UHFFFAOYSA-N 1 2 287.363 1.285 20 30 CDEDLO Cc1cc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)ccc1C#N ZINC000488998432 374229513 /nfs/dbraw/zinc/22/95/13/374229513.db2.gz WPYUOIGRVOBJGE-LBPRGKRZSA-N 1 2 257.337 1.529 20 30 CDEDLO Cc1cc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)ccc1C#N ZINC000488998432 374229521 /nfs/dbraw/zinc/22/95/21/374229521.db2.gz WPYUOIGRVOBJGE-LBPRGKRZSA-N 1 2 257.337 1.529 20 30 CDEDLO COc1cc(C#N)ccc1NC(=O)NCCn1cc[nH+]c1 ZINC000547417862 374249367 /nfs/dbraw/zinc/24/93/67/374249367.db2.gz ZVJZWVLCJRGDAZ-UHFFFAOYSA-N 1 2 285.307 1.585 20 30 CDEDLO N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2CO)c(OC(F)F)c1 ZINC000352020035 374293551 /nfs/dbraw/zinc/29/35/51/374293551.db2.gz GOYLMMLSQBUQBZ-VXGBXAGGSA-N 1 2 298.289 1.087 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)c(OC(F)F)c1 ZINC000352020035 374293554 /nfs/dbraw/zinc/29/35/54/374293554.db2.gz GOYLMMLSQBUQBZ-VXGBXAGGSA-N 1 2 298.289 1.087 20 30 CDEDLO Cc1onc(CC(=O)NCc2cc(C)[nH+]c(C)c2)c1C#N ZINC000421924449 374344147 /nfs/dbraw/zinc/34/41/47/374344147.db2.gz VCDDQJLGHUYWRO-UHFFFAOYSA-N 1 2 284.319 1.725 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000105614356 374428115 /nfs/dbraw/zinc/42/81/15/374428115.db2.gz BFMVJASPXHESOP-CYBMUJFWSA-N 1 2 281.400 1.012 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000105614356 374428118 /nfs/dbraw/zinc/42/81/18/374428118.db2.gz BFMVJASPXHESOP-CYBMUJFWSA-N 1 2 281.400 1.012 20 30 CDEDLO COc1cc(C[N@@H+]2C[C@H](F)C[C@H]2CO)ccc1C#N ZINC000375581593 374504762 /nfs/dbraw/zinc/50/47/62/374504762.db2.gz CALDKXHVTWYYCF-OLZOCXBDSA-N 1 2 264.300 1.472 20 30 CDEDLO COc1cc(C[N@H+]2C[C@H](F)C[C@H]2CO)ccc1C#N ZINC000375581593 374504768 /nfs/dbraw/zinc/50/47/68/374504768.db2.gz CALDKXHVTWYYCF-OLZOCXBDSA-N 1 2 264.300 1.472 20 30 CDEDLO Cc1cc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)ccc1C#N ZINC000331132864 374892619 /nfs/dbraw/zinc/89/26/19/374892619.db2.gz JTHHIBKKQDOIAW-OAHLLOKOSA-N 1 2 292.404 1.876 20 30 CDEDLO Cc1cc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)C2)ccc1C#N ZINC000331132864 374892627 /nfs/dbraw/zinc/89/26/27/374892627.db2.gz JTHHIBKKQDOIAW-OAHLLOKOSA-N 1 2 292.404 1.876 20 30 CDEDLO Cc1cc(NC(=O)C2CC[NH+](CCC#N)CC2)no1 ZINC000042571162 374847615 /nfs/dbraw/zinc/84/76/15/374847615.db2.gz OYPQJRXVSLQZPK-UHFFFAOYSA-N 1 2 262.313 1.547 20 30 CDEDLO Cn1cc(CN2CC[NH+](Cc3cccc(C#N)c3)CC2)cn1 ZINC000353440686 375525721 /nfs/dbraw/zinc/52/57/21/375525721.db2.gz ZZLPPVOVQFZURT-UHFFFAOYSA-N 1 2 295.390 1.610 20 30 CDEDLO Cn1cc(C[NH+]2CCN(Cc3cccc(C#N)c3)CC2)cn1 ZINC000353440686 375525727 /nfs/dbraw/zinc/52/57/27/375525727.db2.gz ZZLPPVOVQFZURT-UHFFFAOYSA-N 1 2 295.390 1.610 20 30 CDEDLO C[C@H](O)CNc1cc(N[C@@H]2CC[C@H](C#N)C2)nc[nH+]1 ZINC000425276277 375585042 /nfs/dbraw/zinc/58/50/42/375585042.db2.gz VURGNUYXCHLPBS-GARJFASQSA-N 1 2 261.329 1.373 20 30 CDEDLO C[C@H](O)CNc1cc(N[C@@H]2CC[C@H](C#N)C2)[nH+]cn1 ZINC000425276277 375585047 /nfs/dbraw/zinc/58/50/47/375585047.db2.gz VURGNUYXCHLPBS-GARJFASQSA-N 1 2 261.329 1.373 20 30 CDEDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000295244054 375847356 /nfs/dbraw/zinc/84/73/56/375847356.db2.gz DZYWBBFAWBTSTA-NSHDSACASA-N 1 2 297.380 1.256 20 30 CDEDLO Cc1n[nH]c(CCNC(=O)C23CCC[NH+]2CCC3)n1 ZINC000328802158 375975536 /nfs/dbraw/zinc/97/55/36/375975536.db2.gz ZRSSYEQEJHNNHU-UHFFFAOYSA-N 1 2 263.345 1.241 20 30 CDEDLO C[C@@H]1CCC[C@H]1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000328672195 375916774 /nfs/dbraw/zinc/91/67/74/375916774.db2.gz OARDJQOWCQTVGD-CHWSQXEVSA-N 1 2 281.400 1.543 20 30 CDEDLO CCC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCOCC1 ZINC000328904636 375994210 /nfs/dbraw/zinc/99/42/10/375994210.db2.gz JMIQKFLXODUMJI-LLVKDONJSA-N 1 2 256.346 1.233 20 30 CDEDLO CCC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC000328904636 375994213 /nfs/dbraw/zinc/99/42/13/375994213.db2.gz JMIQKFLXODUMJI-LLVKDONJSA-N 1 2 256.346 1.233 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2scnc2C2CC2)C1 ZINC000328939625 376013804 /nfs/dbraw/zinc/01/38/04/376013804.db2.gz RZZXDBXIXVUPNB-JTQLQIEISA-N 1 2 296.396 1.677 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNC(=O)Nc2scnc2C2CC2)C1 ZINC000328939625 376013809 /nfs/dbraw/zinc/01/38/09/376013809.db2.gz RZZXDBXIXVUPNB-JTQLQIEISA-N 1 2 296.396 1.677 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H](C)[C@H](O)C(F)(F)F)nn1 ZINC000631234890 376027841 /nfs/dbraw/zinc/02/78/41/376027841.db2.gz SSXUIIUOPDNMLJ-WPRPVWTQSA-N 1 2 278.278 1.256 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[C@@]1(C)CO ZINC000328864315 375989922 /nfs/dbraw/zinc/98/99/22/375989922.db2.gz WARHPOOSKAKOMT-OCCSQVGLSA-N 1 2 265.357 1.860 20 30 CDEDLO C=CCC[C@@H]1NC(=O)N([C@H](C)c2[nH+]ccn2CC)C1=O ZINC000420026137 376239423 /nfs/dbraw/zinc/23/94/23/376239423.db2.gz ZSJLZYQWSNMPCM-MNOVXSKESA-N 1 2 276.340 1.851 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435000187 248149199 /nfs/dbraw/zinc/14/91/99/248149199.db2.gz MPFPMIIKSMBNTC-UHFFFAOYSA-N 1 2 280.331 1.640 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@H]1CC(C)C ZINC000247100589 377052788 /nfs/dbraw/zinc/05/27/88/377052788.db2.gz XCQUYEPZLDOAPA-LSDHHAIUSA-N 1 2 295.427 1.741 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCOC[C@H]1CC(C)C ZINC000247100589 377052795 /nfs/dbraw/zinc/05/27/95/377052795.db2.gz XCQUYEPZLDOAPA-LSDHHAIUSA-N 1 2 295.427 1.741 20 30 CDEDLO C=CCC(CC=C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000131151392 377643094 /nfs/dbraw/zinc/64/30/94/377643094.db2.gz HQBQSEMUGCSMPR-ZIAGYGMSSA-N 1 2 280.412 1.980 20 30 CDEDLO CC(C)C[C@H](CNC(=O)CSCC#N)[NH+]1CCOCC1 ZINC000046025345 377701560 /nfs/dbraw/zinc/70/15/60/377701560.db2.gz DFXQTKOEIDFWHZ-CYBMUJFWSA-N 1 2 299.440 1.106 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280351750 377949713 /nfs/dbraw/zinc/94/97/13/377949713.db2.gz JAQYWMCGGZQPLC-ZBFHGGJFSA-N 1 2 294.395 1.067 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280351750 377949721 /nfs/dbraw/zinc/94/97/21/377949721.db2.gz JAQYWMCGGZQPLC-ZBFHGGJFSA-N 1 2 294.395 1.067 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000133851385 377989417 /nfs/dbraw/zinc/98/94/17/377989417.db2.gz NMZFTLOKBOFGMC-LLVKDONJSA-N 1 2 276.767 1.836 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000133851385 377989421 /nfs/dbraw/zinc/98/94/21/377989421.db2.gz NMZFTLOKBOFGMC-LLVKDONJSA-N 1 2 276.767 1.836 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000133869662 377989471 /nfs/dbraw/zinc/98/94/71/377989471.db2.gz BRTFWSVCMGTVBW-LLVKDONJSA-N 1 2 262.328 1.875 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCc2ccc(F)cc2C1 ZINC000133869662 377989474 /nfs/dbraw/zinc/98/94/74/377989474.db2.gz BRTFWSVCMGTVBW-LLVKDONJSA-N 1 2 262.328 1.875 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](CC)C[C@H](O)C(F)(F)F)C1=O ZINC000281222203 377991908 /nfs/dbraw/zinc/99/19/08/377991908.db2.gz DVZQCIHHSFXGKG-ZJUUUORDSA-N 1 2 280.290 1.018 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](CC)C[C@H](O)C(F)(F)F)C1=O ZINC000281222203 377991916 /nfs/dbraw/zinc/99/19/16/377991916.db2.gz DVZQCIHHSFXGKG-ZJUUUORDSA-N 1 2 280.290 1.018 20 30 CDEDLO C#CC[NH+](CC#C)Cc1c(C)nn(CCC(=O)OC)c1C ZINC000093461467 378078075 /nfs/dbraw/zinc/07/80/75/378078075.db2.gz KWBJNYZRRZSVHM-UHFFFAOYSA-N 1 2 287.363 1.131 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1nnc(CC(C)C)s1 ZINC000192226609 378177823 /nfs/dbraw/zinc/17/78/23/378177823.db2.gz VMZVJNLUICSILJ-UHFFFAOYSA-N 1 2 266.370 1.240 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1nnc(CC(C)C)s1 ZINC000192226609 378177828 /nfs/dbraw/zinc/17/78/28/378177828.db2.gz VMZVJNLUICSILJ-UHFFFAOYSA-N 1 2 266.370 1.240 20 30 CDEDLO C#Cc1ccccc1CC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000290449732 378395506 /nfs/dbraw/zinc/39/55/06/378395506.db2.gz OMTRPZUGLVAAIE-UHFFFAOYSA-N 1 2 298.386 1.191 20 30 CDEDLO C#C[C@@H](C)NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000186096650 378855262 /nfs/dbraw/zinc/85/52/62/378855262.db2.gz VEKXGXJKDMYRRD-GFCCVEGCSA-N 1 2 272.352 1.503 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343545555 378905944 /nfs/dbraw/zinc/90/59/44/378905944.db2.gz YRWWFVHDLMWLDB-CABCVRRESA-N 1 2 288.347 1.515 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000343545555 378905946 /nfs/dbraw/zinc/90/59/46/378905946.db2.gz YRWWFVHDLMWLDB-CABCVRRESA-N 1 2 288.347 1.515 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000343919971 379020262 /nfs/dbraw/zinc/02/02/62/379020262.db2.gz XXCKHWZFXDZZLQ-HNNXBMFYSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000343919971 379020271 /nfs/dbraw/zinc/02/02/71/379020271.db2.gz XXCKHWZFXDZZLQ-HNNXBMFYSA-N 1 2 268.401 1.816 20 30 CDEDLO C#CCCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000366860621 379245381 /nfs/dbraw/zinc/24/53/81/379245381.db2.gz ZLLPVADLBIBPFT-CQSZACIVSA-N 1 2 264.369 1.159 20 30 CDEDLO C#CCCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000366860621 379245393 /nfs/dbraw/zinc/24/53/93/379245393.db2.gz ZLLPVADLBIBPFT-CQSZACIVSA-N 1 2 264.369 1.159 20 30 CDEDLO C=CCCS(=O)(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000289050860 197221997 /nfs/dbraw/zinc/22/19/97/197221997.db2.gz YCMQPVOIVDPRFI-JTQLQIEISA-N 1 2 257.359 1.602 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000280905928 195023285 /nfs/dbraw/zinc/02/32/85/195023285.db2.gz CQTVAFNMURZEDJ-LLVKDONJSA-N 1 2 291.351 1.252 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000346246663 285054465 /nfs/dbraw/zinc/05/44/65/285054465.db2.gz DSNYSTKYFGRTJU-NEPJUHHUSA-N 1 2 262.357 1.419 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000346246663 285054469 /nfs/dbraw/zinc/05/44/69/285054469.db2.gz DSNYSTKYFGRTJU-NEPJUHHUSA-N 1 2 262.357 1.419 20 30 CDEDLO Cc1nc(N(C)C)nc(NCc2cc(C#N)ccc2F)[nH+]1 ZINC000489967757 253020567 /nfs/dbraw/zinc/02/05/67/253020567.db2.gz RXZGRLJXURJKKB-UHFFFAOYSA-N 1 2 286.314 1.291 20 30 CDEDLO Cc1nc(NCc2cc(C#N)ccc2F)nc(N(C)C)[nH+]1 ZINC000489967757 253020569 /nfs/dbraw/zinc/02/05/69/253020569.db2.gz RXZGRLJXURJKKB-UHFFFAOYSA-N 1 2 286.314 1.291 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)/C=C\c2cccc(C#N)c2)C1 ZINC000491380751 253078502 /nfs/dbraw/zinc/07/85/02/253078502.db2.gz FQACYOLIRBHCFD-YVACAVLKSA-N 1 2 285.347 1.018 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNC(=O)/C=C\c2cccc(C#N)c2)C1 ZINC000491380751 253078504 /nfs/dbraw/zinc/07/85/04/253078504.db2.gz FQACYOLIRBHCFD-YVACAVLKSA-N 1 2 285.347 1.018 20 30 CDEDLO COCCOCC[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000288991978 197208655 /nfs/dbraw/zinc/20/86/55/197208655.db2.gz LSIVUQWAFCSYMM-UHFFFAOYSA-N 1 2 297.380 1.153 20 30 CDEDLO COCCOCC[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000288991978 197208656 /nfs/dbraw/zinc/20/86/56/197208656.db2.gz LSIVUQWAFCSYMM-UHFFFAOYSA-N 1 2 297.380 1.153 20 30 CDEDLO C[C@H]1C[C@@H](CO)CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000288784478 197165525 /nfs/dbraw/zinc/16/55/25/197165525.db2.gz JOMFIZHZWOYGNS-QWRGUYRKSA-N 1 2 293.392 1.651 20 30 CDEDLO C[C@H]1C[C@@H](CO)CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000288784478 197165527 /nfs/dbraw/zinc/16/55/27/197165527.db2.gz JOMFIZHZWOYGNS-QWRGUYRKSA-N 1 2 293.392 1.651 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](CC)C(=O)OC(C)(C)C)C1=O ZINC000281319117 195194508 /nfs/dbraw/zinc/19/45/08/195194508.db2.gz LBDXOEIKMWCDSY-OLZOCXBDSA-N 1 2 296.411 1.825 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](CC)C(=O)OC(C)(C)C)C1=O ZINC000281319117 195194509 /nfs/dbraw/zinc/19/45/09/195194509.db2.gz LBDXOEIKMWCDSY-OLZOCXBDSA-N 1 2 296.411 1.825 20 30 CDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H]1CCN(C)C1=O ZINC000298106464 390367669 /nfs/dbraw/zinc/36/76/69/390367669.db2.gz LUEPGEUMQZEEIV-AWEZNQCLSA-N 1 2 260.312 1.492 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H]1CCN(C)C1=O ZINC000298106464 390367674 /nfs/dbraw/zinc/36/76/74/390367674.db2.gz LUEPGEUMQZEEIV-AWEZNQCLSA-N 1 2 260.312 1.492 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)cc1F ZINC000336087303 390819802 /nfs/dbraw/zinc/81/98/02/390819802.db2.gz LHKOHSHWGOJDPX-ZDUSSCGKSA-N 1 2 273.311 1.504 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)cc1F ZINC000336087303 390819807 /nfs/dbraw/zinc/81/98/07/390819807.db2.gz LHKOHSHWGOJDPX-ZDUSSCGKSA-N 1 2 273.311 1.504 20 30 CDEDLO C#CCOCCC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000159687946 390940822 /nfs/dbraw/zinc/94/08/22/390940822.db2.gz HHFJLRNWUCBFQH-CQSZACIVSA-N 1 2 289.379 1.241 20 30 CDEDLO NC(CCO)=[NH+]OCc1cccc(OC(F)F)c1 ZINC000121325578 390883477 /nfs/dbraw/zinc/88/34/77/390883477.db2.gz NGTROSYSSRSPKH-UHFFFAOYSA-N 1 2 260.240 1.459 20 30 CDEDLO COC(=O)c1cc(C[N@H+](CCC#N)CC2CC2)c[nH]1 ZINC000093091512 390899254 /nfs/dbraw/zinc/89/92/54/390899254.db2.gz WBANIJVDQYGXAB-UHFFFAOYSA-N 1 2 261.325 1.927 20 30 CDEDLO COC(=O)c1cc(C[N@@H+](CCC#N)CC2CC2)c[nH]1 ZINC000093091512 390899255 /nfs/dbraw/zinc/89/92/55/390899255.db2.gz WBANIJVDQYGXAB-UHFFFAOYSA-N 1 2 261.325 1.927 20 30 CDEDLO C[C@H]1CCN(C(=O)CSCC#N)C[C@H]1n1cc[nH+]c1 ZINC000125152069 390917429 /nfs/dbraw/zinc/91/74/29/390917429.db2.gz KLAHGAXPZUBMFX-NWDGAFQWSA-N 1 2 278.381 1.549 20 30 CDEDLO C[C@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)[C@@H]1CCOC1 ZINC000329461525 390991401 /nfs/dbraw/zinc/99/14/01/390991401.db2.gz SRVFWFVXASUROK-QWHCGFSZSA-N 1 2 299.415 1.026 20 30 CDEDLO C[C@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)[C@@H]1CCOC1 ZINC000329461525 390991407 /nfs/dbraw/zinc/99/14/07/390991407.db2.gz SRVFWFVXASUROK-QWHCGFSZSA-N 1 2 299.415 1.026 20 30 CDEDLO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1sccc1C#N ZINC000574232967 391113232 /nfs/dbraw/zinc/11/32/32/391113232.db2.gz LPFBDAGKBQVWOU-LLVKDONJSA-N 1 2 263.366 1.786 20 30 CDEDLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1sccc1C#N ZINC000574232967 391113237 /nfs/dbraw/zinc/11/32/37/391113237.db2.gz LPFBDAGKBQVWOU-LLVKDONJSA-N 1 2 263.366 1.786 20 30 CDEDLO CC[C@](C)(C#N)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000352428715 391134834 /nfs/dbraw/zinc/13/48/34/391134834.db2.gz SCWMJRVXECNNLN-CQSZACIVSA-N 1 2 267.373 1.153 20 30 CDEDLO CC[C@](C)(C#N)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000352428715 391134837 /nfs/dbraw/zinc/13/48/37/391134837.db2.gz SCWMJRVXECNNLN-CQSZACIVSA-N 1 2 267.373 1.153 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C2(C#N)CCC2)C1 ZINC000374356649 391159709 /nfs/dbraw/zinc/15/97/09/391159709.db2.gz HVQZBQNFIIBGKW-NSHDSACASA-N 1 2 258.325 1.430 20 30 CDEDLO N#CCCCCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000345385149 391168863 /nfs/dbraw/zinc/16/88/63/391168863.db2.gz RGFXLTDMPAERJN-CQSZACIVSA-N 1 2 288.351 1.938 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)CS(C)(=O)=O ZINC000186229214 391218109 /nfs/dbraw/zinc/21/81/09/391218109.db2.gz PDYFSPKVYYPWQT-GFCCVEGCSA-N 1 2 280.393 1.732 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@H+](C)[C@H](C)CS(C)(=O)=O ZINC000186229214 391218113 /nfs/dbraw/zinc/21/81/13/391218113.db2.gz PDYFSPKVYYPWQT-GFCCVEGCSA-N 1 2 280.393 1.732 20 30 CDEDLO C=CC[N@@H+](Cc1ccccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000179562694 391211925 /nfs/dbraw/zinc/21/19/25/391211925.db2.gz XYZCSVMBKFDXFH-ZDUSSCGKSA-N 1 2 281.377 1.567 20 30 CDEDLO C=CC[N@H+](Cc1ccccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000179562694 391211928 /nfs/dbraw/zinc/21/19/28/391211928.db2.gz XYZCSVMBKFDXFH-ZDUSSCGKSA-N 1 2 281.377 1.567 20 30 CDEDLO CC1(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)CC1 ZINC000345684406 391306022 /nfs/dbraw/zinc/30/60/22/391306022.db2.gz RKDOKWLPNYIIFQ-UHFFFAOYSA-N 1 2 279.384 1.251 20 30 CDEDLO C[C@@H](C#N)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000345790726 391313677 /nfs/dbraw/zinc/31/36/77/391313677.db2.gz DZAMPCHPGDVHOX-ZFWWWQNUSA-N 1 2 287.363 1.336 20 30 CDEDLO C[C@H](c1ccco1)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000346842015 391374158 /nfs/dbraw/zinc/37/41/58/391374158.db2.gz UXCXPLDWJWACMN-LLVKDONJSA-N 1 2 261.325 1.835 20 30 CDEDLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000346842015 391374159 /nfs/dbraw/zinc/37/41/59/391374159.db2.gz UXCXPLDWJWACMN-LLVKDONJSA-N 1 2 261.325 1.835 20 30 CDEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CCO1 ZINC000330431879 391422894 /nfs/dbraw/zinc/42/28/94/391422894.db2.gz JKHWXCSTWFCNPJ-GZBFAFLISA-N 1 2 281.400 1.540 20 30 CDEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CCO1 ZINC000330431879 391422898 /nfs/dbraw/zinc/42/28/98/391422898.db2.gz JKHWXCSTWFCNPJ-GZBFAFLISA-N 1 2 281.400 1.540 20 30 CDEDLO C=CCOCC[N@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000330453967 391423722 /nfs/dbraw/zinc/42/37/22/391423722.db2.gz MFWNABGYEGHNSP-CYBMUJFWSA-N 1 2 265.357 1.602 20 30 CDEDLO C=CCOCC[N@@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000330453967 391423724 /nfs/dbraw/zinc/42/37/24/391423724.db2.gz MFWNABGYEGHNSP-CYBMUJFWSA-N 1 2 265.357 1.602 20 30 CDEDLO COc1cccc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)c1F ZINC000330525405 391442670 /nfs/dbraw/zinc/44/26/70/391442670.db2.gz JQUSZDLNMWCUDP-NSHDSACASA-N 1 2 296.342 1.860 20 30 CDEDLO COc1cccc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)c1F ZINC000330525405 391442671 /nfs/dbraw/zinc/44/26/71/391442671.db2.gz JQUSZDLNMWCUDP-NSHDSACASA-N 1 2 296.342 1.860 20 30 CDEDLO C=C(CC)C[N@H+](C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000358861493 391565517 /nfs/dbraw/zinc/56/55/17/391565517.db2.gz ODOWOPWLKNDUGU-UONOGXRCSA-N 1 2 287.425 1.621 20 30 CDEDLO C=C(CC)C[N@@H+](C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000358861493 391565519 /nfs/dbraw/zinc/56/55/19/391565519.db2.gz ODOWOPWLKNDUGU-UONOGXRCSA-N 1 2 287.425 1.621 20 30 CDEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1csnn1 ZINC000412023946 391546011 /nfs/dbraw/zinc/54/60/11/391546011.db2.gz DSVYBJWARKSIQC-JTQLQIEISA-N 1 2 266.370 1.389 20 30 CDEDLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000329536204 391591968 /nfs/dbraw/zinc/59/19/68/391591968.db2.gz ZZYMROZSECDVOA-RFQIPJPRSA-N 1 2 280.368 1.089 20 30 CDEDLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000329536204 391591973 /nfs/dbraw/zinc/59/19/73/391591973.db2.gz ZZYMROZSECDVOA-RFQIPJPRSA-N 1 2 280.368 1.089 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000362226099 391715819 /nfs/dbraw/zinc/71/58/19/391715819.db2.gz ZJPCACQBRVCCNP-DZGCQCFKSA-N 1 2 268.401 1.768 20 30 CDEDLO C=C(C)C[N@H+]1CCc2c(cccc2S(=O)(=O)NC)C1 ZINC000284937887 391706313 /nfs/dbraw/zinc/70/63/13/391706313.db2.gz WLDSSUTWEIAYPR-UHFFFAOYSA-N 1 2 280.393 1.529 20 30 CDEDLO C=C(C)C[N@@H+]1CCc2c(cccc2S(=O)(=O)NC)C1 ZINC000284937887 391706318 /nfs/dbraw/zinc/70/63/18/391706318.db2.gz WLDSSUTWEIAYPR-UHFFFAOYSA-N 1 2 280.393 1.529 20 30 CDEDLO CC[N@H+](CCS(C)(=O)=O)[C@@H](C)c1cccc(C#N)c1 ZINC000189971435 130045362 /nfs/dbraw/zinc/04/53/62/130045362.db2.gz BJGZPEZVIAVTGX-LBPRGKRZSA-N 1 2 280.393 1.986 20 30 CDEDLO CC[N@@H+](CCS(C)(=O)=O)[C@@H](C)c1cccc(C#N)c1 ZINC000189971435 130045363 /nfs/dbraw/zinc/04/53/63/130045363.db2.gz BJGZPEZVIAVTGX-LBPRGKRZSA-N 1 2 280.393 1.986 20 30 CDEDLO CN1CC[C@H]([N@H+](C)CC(=O)NC2(C#N)CCCCC2)C1=O ZINC000329100592 391751296 /nfs/dbraw/zinc/75/12/96/391751296.db2.gz ZNLKWMKXAFQFRU-LBPRGKRZSA-N 1 2 292.383 1.332 20 30 CDEDLO CN1CC[C@H]([N@@H+](C)CC(=O)NC2(C#N)CCCCC2)C1=O ZINC000329100592 391751297 /nfs/dbraw/zinc/75/12/97/391751297.db2.gz ZNLKWMKXAFQFRU-LBPRGKRZSA-N 1 2 292.383 1.332 20 30 CDEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCC[C@@H]1CCOC1 ZINC000329763524 391774919 /nfs/dbraw/zinc/77/49/19/391774919.db2.gz UQTAPXOBEZZYPU-VXGBXAGGSA-N 1 2 256.346 1.090 20 30 CDEDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCC[C@@H]1CCOC1 ZINC000329763524 391774922 /nfs/dbraw/zinc/77/49/22/391774922.db2.gz UQTAPXOBEZZYPU-VXGBXAGGSA-N 1 2 256.346 1.090 20 30 CDEDLO CCN(CC)C(=O)C[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191149378 130191160 /nfs/dbraw/zinc/19/11/60/130191160.db2.gz QYTHUPLWJACQMT-UHFFFAOYSA-N 1 2 262.357 1.197 20 30 CDEDLO CCN(CC)C(=O)C[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191149378 130191162 /nfs/dbraw/zinc/19/11/62/130191162.db2.gz QYTHUPLWJACQMT-UHFFFAOYSA-N 1 2 262.357 1.197 20 30 CDEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191366542 130227140 /nfs/dbraw/zinc/22/71/40/130227140.db2.gz OYGYSOPCXRWNNT-GHMZBOCLSA-N 1 2 283.397 1.150 20 30 CDEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191366542 130227143 /nfs/dbraw/zinc/22/71/43/130227143.db2.gz OYGYSOPCXRWNNT-GHMZBOCLSA-N 1 2 283.397 1.150 20 30 CDEDLO COc1cccc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000520306505 391781647 /nfs/dbraw/zinc/78/16/47/391781647.db2.gz PLEKLGLSXHTDKZ-OAHLLOKOSA-N 1 2 275.352 1.198 20 30 CDEDLO CC1(C)C[N@H+](CCNC(=O)c2csc(=O)[nH]2)CCO1 ZINC000329897489 391796061 /nfs/dbraw/zinc/79/60/61/391796061.db2.gz CXWADUQMJUHVOU-UHFFFAOYSA-N 1 2 285.369 1.264 20 30 CDEDLO CC1(C)C[N@@H+](CCNC(=O)c2csc(=O)[nH]2)CCO1 ZINC000329897489 391796063 /nfs/dbraw/zinc/79/60/63/391796063.db2.gz CXWADUQMJUHVOU-UHFFFAOYSA-N 1 2 285.369 1.264 20 30 CDEDLO C#CCCCC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000192058876 130361040 /nfs/dbraw/zinc/36/10/40/130361040.db2.gz WXIGZHKCLWJPIL-UHFFFAOYSA-N 1 2 255.321 1.797 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000192220252 130396978 /nfs/dbraw/zinc/39/69/78/130396978.db2.gz GWYJSTAPJILDHB-UHFFFAOYSA-N 1 2 261.281 1.407 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000192220252 130396979 /nfs/dbraw/zinc/39/69/79/130396979.db2.gz GWYJSTAPJILDHB-UHFFFAOYSA-N 1 2 261.281 1.407 20 30 CDEDLO CC(C)(C)[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CCO1 ZINC000331852522 391825837 /nfs/dbraw/zinc/82/58/37/391825837.db2.gz MLSSDDWFYMAKRJ-BBRMVZONSA-N 1 2 293.411 1.542 20 30 CDEDLO CC(C)(C)[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CCO1 ZINC000331852522 391825840 /nfs/dbraw/zinc/82/58/40/391825840.db2.gz MLSSDDWFYMAKRJ-BBRMVZONSA-N 1 2 293.411 1.542 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000372271471 391844760 /nfs/dbraw/zinc/84/47/60/391844760.db2.gz BXRKZJGJKFLDLM-GFCCVEGCSA-N 1 2 270.373 1.788 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000372271471 391844763 /nfs/dbraw/zinc/84/47/63/391844763.db2.gz BXRKZJGJKFLDLM-GFCCVEGCSA-N 1 2 270.373 1.788 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068477646 391969962 /nfs/dbraw/zinc/96/99/62/391969962.db2.gz FKQLNCNKNIFBEO-WFASDCNBSA-N 1 2 281.400 1.540 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068477646 391969968 /nfs/dbraw/zinc/96/99/68/391969968.db2.gz FKQLNCNKNIFBEO-WFASDCNBSA-N 1 2 281.400 1.540 20 30 CDEDLO CC#CC[C@H](CO)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000646276811 392230956 /nfs/dbraw/zinc/23/09/56/392230956.db2.gz TZMSGDLWLJWMAA-GFCCVEGCSA-N 1 2 272.308 1.230 20 30 CDEDLO CC[C@H](NC(=O)c1ccc(C#N)c(O)c1)c1[nH]cc[nH+]1 ZINC000442798036 392496005 /nfs/dbraw/zinc/49/60/05/392496005.db2.gz IVTZFUFDYTYUJG-NSHDSACASA-N 1 2 270.292 1.868 20 30 CDEDLO C=C[C@H](O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000646756185 392738422 /nfs/dbraw/zinc/73/84/22/392738422.db2.gz FHDRNAXTBYQFLA-ZDUSSCGKSA-N 1 2 275.283 1.175 20 30 CDEDLO Cc1cc(NCCn2cnnc2C(C)C)c(C#N)c[nH+]1 ZINC000425223628 392995696 /nfs/dbraw/zinc/99/56/96/392995696.db2.gz CEMGYGVCCIBVOL-UHFFFAOYSA-N 1 2 270.340 1.511 20 30 CDEDLO Cc1cc(N2CCC[C@H](CC(N)=O)C2)c(C#N)c[nH+]1 ZINC000425238549 393000432 /nfs/dbraw/zinc/00/04/32/393000432.db2.gz VAYFCNZOCAYQMV-LLVKDONJSA-N 1 2 258.325 1.354 20 30 CDEDLO Cc1ccnc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c1C#N ZINC000376209826 393070627 /nfs/dbraw/zinc/07/06/27/393070627.db2.gz XFZYZGWZRVLUHF-ZIAGYGMSSA-N 1 2 286.379 1.561 20 30 CDEDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cc(C#N)cs1 ZINC000093771815 147065370 /nfs/dbraw/zinc/06/53/70/147065370.db2.gz FHLOWLXISHJUBM-GFCCVEGCSA-N 1 2 263.366 1.720 20 30 CDEDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000093771815 147065376 /nfs/dbraw/zinc/06/53/76/147065376.db2.gz FHLOWLXISHJUBM-GFCCVEGCSA-N 1 2 263.366 1.720 20 30 CDEDLO CO[C@]1(C)CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329539803 286154521 /nfs/dbraw/zinc/15/45/21/286154521.db2.gz CPIIEIXIZVGVIX-IAQYHMDHSA-N 1 2 292.383 1.682 20 30 CDEDLO CO[C@]1(C)CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329539803 286154522 /nfs/dbraw/zinc/15/45/22/286154522.db2.gz CPIIEIXIZVGVIX-IAQYHMDHSA-N 1 2 292.383 1.682 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000352668257 155341932 /nfs/dbraw/zinc/34/19/32/155341932.db2.gz QPQWVHUZSYBFME-CYBMUJFWSA-N 1 2 273.336 1.229 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352668257 155341935 /nfs/dbraw/zinc/34/19/35/155341935.db2.gz QPQWVHUZSYBFME-CYBMUJFWSA-N 1 2 273.336 1.229 20 30 CDEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccccc2C#N)CC[N@H+]1C ZINC000356070637 157342365 /nfs/dbraw/zinc/34/23/65/157342365.db2.gz LMQZWBZSNNLWSW-NEPJUHHUSA-N 1 2 293.392 1.271 20 30 CDEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccccc2C#N)CC[N@@H+]1C ZINC000356070637 157342369 /nfs/dbraw/zinc/34/23/69/157342369.db2.gz LMQZWBZSNNLWSW-NEPJUHHUSA-N 1 2 293.392 1.271 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cnccc1C#N)CCC2 ZINC000358923413 158073085 /nfs/dbraw/zinc/07/30/85/158073085.db2.gz VCIMFCXSQASLFP-ZDUSSCGKSA-N 1 2 295.346 1.766 20 30 CDEDLO C[C@H](C(=O)NCC[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000359839172 158394657 /nfs/dbraw/zinc/39/46/57/158394657.db2.gz ZOMRYBZLTMLEHZ-ZDUSSCGKSA-N 1 2 287.363 1.110 20 30 CDEDLO C=CCN(C(=O)N[C@@H](C)Cn1cc[nH+]c1)[C@@H](C)COC ZINC000656541595 413394137 /nfs/dbraw/zinc/39/41/37/413394137.db2.gz PVPSCHDFFYETKM-STQMWFEESA-N 1 2 280.372 1.504 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNc2ncccc2C#N)CCO1 ZINC000362667717 159208953 /nfs/dbraw/zinc/20/89/53/159208953.db2.gz RQCYGYXZIYMXPN-CYBMUJFWSA-N 1 2 260.341 1.476 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNc2ncccc2C#N)CCO1 ZINC000362667717 159208956 /nfs/dbraw/zinc/20/89/56/159208956.db2.gz RQCYGYXZIYMXPN-CYBMUJFWSA-N 1 2 260.341 1.476 20 30 CDEDLO COc1cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)ccc1C#N ZINC000374233167 160266755 /nfs/dbraw/zinc/26/67/55/160266755.db2.gz YVJYPSSICWNAEX-INIZCTEOSA-N 1 2 288.347 1.558 20 30 CDEDLO COc1cc(C[N@H+]2CCO[C@@]3(CCOC3)C2)ccc1C#N ZINC000374233167 160266757 /nfs/dbraw/zinc/26/67/57/160266757.db2.gz YVJYPSSICWNAEX-INIZCTEOSA-N 1 2 288.347 1.558 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)s1 ZINC000284756978 196125549 /nfs/dbraw/zinc/12/55/49/196125549.db2.gz VZMJRVNMGXUMLZ-ZNMIVQPWSA-N 1 2 292.404 1.982 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)s1 ZINC000284756978 196125551 /nfs/dbraw/zinc/12/55/51/196125551.db2.gz VZMJRVNMGXUMLZ-ZNMIVQPWSA-N 1 2 292.404 1.982 20 30 CDEDLO C=C[C@H](CO)Nc1nc(C)[nH+]c(C)c1Br ZINC000664604221 413536714 /nfs/dbraw/zinc/53/67/14/413536714.db2.gz DVUOZXDMGTWHJC-MRVPVSSYSA-N 1 2 272.146 1.815 20 30 CDEDLO C=CC[C@@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000661381595 414040451 /nfs/dbraw/zinc/04/04/51/414040451.db2.gz MYBPEWWQEBAMCA-GFCCVEGCSA-N 1 2 272.352 1.811 20 30 CDEDLO C=CCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000661572249 414174271 /nfs/dbraw/zinc/17/42/71/414174271.db2.gz YJRRHHSNJOTKNL-UHFFFAOYSA-N 1 2 274.368 1.485 20 30 CDEDLO C=CCCC(C)(C)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000663638404 414383468 /nfs/dbraw/zinc/38/34/68/414383468.db2.gz NPBFMAXDZSATMX-CYBMUJFWSA-N 1 2 283.416 1.751 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CC#N)c1ccccc1F ZINC000041569339 174568511 /nfs/dbraw/zinc/56/85/11/174568511.db2.gz FSUYOBUXEXFBNI-ZDUSSCGKSA-N 1 2 272.283 1.678 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000044809619 175257696 /nfs/dbraw/zinc/25/76/96/175257696.db2.gz UYVLIUAKNLBPOB-ZDUSSCGKSA-N 1 2 257.337 1.490 20 30 CDEDLO CCn1ncnc1CNC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000330045635 228025567 /nfs/dbraw/zinc/02/55/67/228025567.db2.gz GMJHVNGJKDGPML-SNVBAGLBSA-N 1 2 283.401 1.192 20 30 CDEDLO C[C@H]1C[C@@H](O)CCN1C([O-])=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000330296414 228105347 /nfs/dbraw/zinc/10/53/47/228105347.db2.gz KCMLAFPFLXECEX-AVGNSLFASA-N 1 2 292.383 1.205 20 30 CDEDLO C[C@H]([NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCCO1 ZINC000330186367 228059564 /nfs/dbraw/zinc/05/95/64/228059564.db2.gz RYOBNYZDCHWKFO-QJPTWQEYSA-N 1 2 278.356 1.269 20 30 CDEDLO C[C@H](NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCCO1 ZINC000330186367 228059566 /nfs/dbraw/zinc/05/95/66/228059566.db2.gz RYOBNYZDCHWKFO-QJPTWQEYSA-N 1 2 278.356 1.269 20 30 CDEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC000332236693 228153294 /nfs/dbraw/zinc/15/32/94/228153294.db2.gz OPPKYHVXRABVLH-ONGXEEELSA-N 1 2 274.349 1.538 20 30 CDEDLO COC1CC[NH+](CC(=O)Nc2nncs2)CC1 ZINC000048561458 260200382 /nfs/dbraw/zinc/20/03/82/260200382.db2.gz PEGJZNYKYKDWQB-UHFFFAOYSA-N 1 2 256.331 1.237 20 30 CDEDLO CCCCNC(=O)CO[NH+]=C(N)c1ccc(OC)cc1 ZINC000048610477 260201605 /nfs/dbraw/zinc/20/16/05/260201605.db2.gz OGWMAMWEURVFMB-UHFFFAOYSA-N 1 2 279.340 1.248 20 30 CDEDLO N#CCC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000153499336 261079511 /nfs/dbraw/zinc/07/95/11/261079511.db2.gz WKHHSTSWFWAHEH-CQSZACIVSA-N 1 2 273.336 1.090 20 30 CDEDLO Cc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)o1 ZINC000154793818 261095023 /nfs/dbraw/zinc/09/50/23/261095023.db2.gz QRGPKPYUUHYATB-UHFFFAOYSA-N 1 2 277.368 1.636 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cc(=O)n2ccsc2n1 ZINC000490839357 261224962 /nfs/dbraw/zinc/22/49/62/261224962.db2.gz IFBYWILFHWUGIX-UHFFFAOYSA-N 1 2 271.345 1.215 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cc(=O)n2ccsc2n1 ZINC000490839357 261224963 /nfs/dbraw/zinc/22/49/63/261224963.db2.gz IFBYWILFHWUGIX-UHFFFAOYSA-N 1 2 271.345 1.215 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000490913200 261245438 /nfs/dbraw/zinc/24/54/38/261245438.db2.gz CJNOSOXNBNZOEF-UHFFFAOYSA-N 1 2 258.277 1.672 20 30 CDEDLO C=CC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161560621 262317656 /nfs/dbraw/zinc/31/76/56/262317656.db2.gz NCXFXZWSGIAHSG-CYBMUJFWSA-N 1 2 259.353 1.870 20 30 CDEDLO CCc1cc(OC)ccc1C[NH+]1CC(O)(CC#N)C1 ZINC000337526711 262455783 /nfs/dbraw/zinc/45/57/83/262455783.db2.gz ZVZUQRHYPGBPGW-UHFFFAOYSA-N 1 2 260.337 1.718 20 30 CDEDLO C[C@@H](c1cccc(NC(=O)CC#N)c1)[NH+]1CCOCC1 ZINC000274916705 263031620 /nfs/dbraw/zinc/03/16/20/263031620.db2.gz ZAWYPOOGOFIIQM-LBPRGKRZSA-N 1 2 273.336 1.932 20 30 CDEDLO COc1ccc(O)c(/C=N/CC2([NH+]3CCOCC3)CC2)c1 ZINC000277472807 263041521 /nfs/dbraw/zinc/04/15/21/263041521.db2.gz JVCYELOWFOCBEG-GZTJUZNOSA-N 1 2 290.363 1.685 20 30 CDEDLO N#CCOc1ccc(C[N@@H+]2CCOC[C@@]23CCOC3)cc1 ZINC000282212413 263074985 /nfs/dbraw/zinc/07/49/85/263074985.db2.gz DKKGYAUXEVPSMP-INIZCTEOSA-N 1 2 288.347 1.580 20 30 CDEDLO N#CCOc1ccc(C[N@H+]2CCOC[C@@]23CCOC3)cc1 ZINC000282212413 263074986 /nfs/dbraw/zinc/07/49/86/263074986.db2.gz DKKGYAUXEVPSMP-INIZCTEOSA-N 1 2 288.347 1.580 20 30 CDEDLO CO/N=C/C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000283194811 263081949 /nfs/dbraw/zinc/08/19/49/263081949.db2.gz IBZJFAXEPSWBOK-NTUHNPAUSA-N 1 2 282.369 1.700 20 30 CDEDLO NC(=[NH+]OCc1cccc(Cl)n1)[C@@H]1CCCO1 ZINC000284101663 263085953 /nfs/dbraw/zinc/08/59/53/263085953.db2.gz LEXWYTJCSMEMBM-VIFPVBQESA-N 1 2 255.705 1.703 20 30 CDEDLO C[C@@H](CC#N)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000299659673 263250992 /nfs/dbraw/zinc/25/09/92/263250992.db2.gz MTMICZLJHYRNBD-LBPRGKRZSA-N 1 2 268.320 1.963 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@@H]2CCCOC2)C1 ZINC000328770354 263859300 /nfs/dbraw/zinc/85/93/00/263859300.db2.gz ACMAGLVDZMDPHG-QWHCGFSZSA-N 1 2 292.383 1.550 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000330867609 264057873 /nfs/dbraw/zinc/05/78/73/264057873.db2.gz PACZUVIOVPNBAP-CJNGLKHVSA-N 1 2 291.395 1.528 20 30 CDEDLO CC[C@H](C(=O)N[C@@H](C#N)C(C)(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000331225095 264149533 /nfs/dbraw/zinc/14/95/33/264149533.db2.gz ZRIDNFRGEWPBSZ-MCIONIFRSA-N 1 2 295.427 1.930 20 30 CDEDLO CC[C@H](C(=O)N[C@@H](C#N)C(C)(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000331225095 264149535 /nfs/dbraw/zinc/14/95/35/264149535.db2.gz ZRIDNFRGEWPBSZ-MCIONIFRSA-N 1 2 295.427 1.930 20 30 CDEDLO C[C@H](C#N)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000357814388 266371550 /nfs/dbraw/zinc/37/15/50/266371550.db2.gz FMCGMPHPVSVDBF-CYBMUJFWSA-N 1 2 282.347 1.750 20 30 CDEDLO C#CCCCCNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000362734868 267040417 /nfs/dbraw/zinc/04/04/17/267040417.db2.gz IWCPVQOACGXMJB-CYBMUJFWSA-N 1 2 274.368 1.723 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000368438394 267172926 /nfs/dbraw/zinc/17/29/26/267172926.db2.gz LGUSXHMWKTXAEO-YJYMSZOUSA-N 1 2 286.441 1.111 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000368438394 267172929 /nfs/dbraw/zinc/17/29/29/267172929.db2.gz LGUSXHMWKTXAEO-YJYMSZOUSA-N 1 2 286.441 1.111 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1ccc(C#N)cc1 ZINC000493201960 267282130 /nfs/dbraw/zinc/28/21/30/267282130.db2.gz GWGKBURUEWGUGB-ROJDOSBLSA-N 1 2 282.347 1.532 20 30 CDEDLO C#C[C@@H](C)NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373064924 267635267 /nfs/dbraw/zinc/63/52/67/267635267.db2.gz ZJMJQWUUSKDYCZ-VXGBXAGGSA-N 1 2 260.341 1.331 20 30 CDEDLO C=CCCCCCN(C)C(=O)[C@H]1COCC[N@H+]1CC ZINC000377179069 268053367 /nfs/dbraw/zinc/05/33/67/268053367.db2.gz OWZSIXDBVRMFKC-CQSZACIVSA-N 1 2 268.401 1.912 20 30 CDEDLO C=CCCCCCN(C)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000377179069 268053371 /nfs/dbraw/zinc/05/33/71/268053371.db2.gz OWZSIXDBVRMFKC-CQSZACIVSA-N 1 2 268.401 1.912 20 30 CDEDLO N#Cc1ccccc1OCC(=O)NCCCCn1cc[nH+]c1 ZINC000315375374 270327023 /nfs/dbraw/zinc/32/70/23/270327023.db2.gz GSULFUIPIZVULE-UHFFFAOYSA-N 1 2 298.346 1.730 20 30 CDEDLO CC#CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000172715415 276931660 /nfs/dbraw/zinc/93/16/60/276931660.db2.gz YRHUXUGCHQWAMF-UHFFFAOYSA-N 1 2 259.309 1.740 20 30 CDEDLO CC(C)(C)n1cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)nn1 ZINC000330033677 277282063 /nfs/dbraw/zinc/28/20/63/277282063.db2.gz AMCMQUGBWCJHHX-JTQLQIEISA-N 1 2 288.355 1.549 20 30 CDEDLO CCN1C(=O)[C@H]2C[N@H+](Cc3ccccc3C#N)CCN2C1=O ZINC000369442023 279252828 /nfs/dbraw/zinc/25/28/28/279252828.db2.gz KJVURAKSUUASBY-CQSZACIVSA-N 1 2 298.346 1.027 20 30 CDEDLO CCN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3C#N)CCN2C1=O ZINC000369442023 279252829 /nfs/dbraw/zinc/25/28/29/279252829.db2.gz KJVURAKSUUASBY-CQSZACIVSA-N 1 2 298.346 1.027 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000555066128 290202180 /nfs/dbraw/zinc/20/21/80/290202180.db2.gz PLIKCJDKQZFACW-UHFFFAOYSA-N 1 2 291.314 1.839 20 30 CDEDLO Cc1noc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000562379066 293147583 /nfs/dbraw/zinc/14/75/83/293147583.db2.gz PUYHQDBJOIPUDR-GFCCVEGCSA-N 1 2 285.307 1.298 20 30 CDEDLO Cc1noc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000562379066 293147584 /nfs/dbraw/zinc/14/75/84/293147584.db2.gz PUYHQDBJOIPUDR-GFCCVEGCSA-N 1 2 285.307 1.298 20 30 CDEDLO Cc1c[nH]c(C(C)(C)NC(=O)c2cc(C#N)c[nH]2)[nH+]1 ZINC000571337458 294415118 /nfs/dbraw/zinc/41/51/18/294415118.db2.gz RFCFQZAFLKNBGS-UHFFFAOYSA-N 1 2 257.297 1.583 20 30 CDEDLO NC(=O)[C@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000131858717 295147526 /nfs/dbraw/zinc/14/75/26/295147526.db2.gz JCDVQIMPCVUVEO-CQSZACIVSA-N 1 2 260.312 1.517 20 30 CDEDLO NC(=O)[C@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000131858717 295147527 /nfs/dbraw/zinc/14/75/27/295147527.db2.gz JCDVQIMPCVUVEO-CQSZACIVSA-N 1 2 260.312 1.517 20 30 CDEDLO COC[C@@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)c1ccco1 ZINC000184586990 327830468 /nfs/dbraw/zinc/83/04/68/327830468.db2.gz XLMCHFMUXJEKNW-VXGBXAGGSA-N 1 2 279.340 1.317 20 30 CDEDLO O=C(NCC#Cc1cccc(F)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000338241750 327973356 /nfs/dbraw/zinc/97/33/56/327973356.db2.gz UMXOYYRGABTTPH-CQSZACIVSA-N 1 2 297.333 1.753 20 30 CDEDLO Cc1oncc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000575471439 316998986 /nfs/dbraw/zinc/99/89/86/316998986.db2.gz AKKUOMRBBVAXLI-UHFFFAOYSA-N 1 2 283.335 1.572 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N1CCC(CCC#N)CC1 ZINC000571168366 328090340 /nfs/dbraw/zinc/09/03/40/328090340.db2.gz QWEFAZNGWFCIDR-UHFFFAOYSA-N 1 2 274.368 1.895 20 30 CDEDLO Cc1ncc(CO)c(/C=[NH+]/CC2(C)CCOCC2)c1O ZINC000267805647 328180360 /nfs/dbraw/zinc/18/03/60/328180360.db2.gz RJNHKHNSJCRJEF-LZYBPNLTSA-N 1 2 278.352 1.824 20 30 CDEDLO CCC(CC)[C@@H](C(=O)N[C@H](C)C#N)[NH+]1CCOCC1 ZINC000173281388 329144459 /nfs/dbraw/zinc/14/44/59/329144459.db2.gz AOBKTGQGCOCQKY-YPMHNXCESA-N 1 2 267.373 1.152 20 30 CDEDLO COC(=O)[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)C1CC1 ZINC000272953284 328202134 /nfs/dbraw/zinc/20/21/34/328202134.db2.gz OVTUKTFLDBEOPF-AWEZNQCLSA-N 1 2 274.320 1.630 20 30 CDEDLO CC(C)[C@@H](NS(=O)(=O)N(C)[C@H](C)CC#N)c1[nH]cc[nH+]1 ZINC000296263943 328289814 /nfs/dbraw/zinc/28/98/14/328289814.db2.gz YJKMPUSOINWNSL-GHMZBOCLSA-N 1 2 299.400 1.175 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)N[C@H](C)C[S@](C)=O)cc2n1C ZINC000331036302 328474820 /nfs/dbraw/zinc/47/48/20/328474820.db2.gz BDYHPSMEXLOIPU-YBYGRFCBSA-N 1 2 293.392 1.953 20 30 CDEDLO C[C@@H](CC#N)NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000553427277 327018391 /nfs/dbraw/zinc/01/83/91/327018391.db2.gz UFVNJBPJADQDKP-DTWKUNHWSA-N 1 2 288.273 1.874 20 30 CDEDLO Cc1cc(S(=O)(=O)NCC[NH2+]CCC#N)c(C)s1 ZINC000566005278 327111572 /nfs/dbraw/zinc/11/15/72/327111572.db2.gz YVJDULDPYASSRS-UHFFFAOYSA-N 1 2 287.410 1.147 20 30 CDEDLO C=CCOCC(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000564737579 327465567 /nfs/dbraw/zinc/46/55/67/327465567.db2.gz JZMUNWDNQFLCBO-UHFFFAOYSA-N 1 2 276.327 1.282 20 30 CDEDLO COc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1F ZINC000562323201 327470317 /nfs/dbraw/zinc/47/03/17/327470317.db2.gz VRRXLGJUNQRZTR-CQSZACIVSA-N 1 2 279.315 1.408 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1ccon1 ZINC000527298679 327521872 /nfs/dbraw/zinc/52/18/72/327521872.db2.gz CNBIJALOUKWTTF-ZJUUUORDSA-N 1 2 262.313 1.276 20 30 CDEDLO C#CC[N@H+](CC#CC)CCNC(=O)OC(C)(C)C ZINC000490891522 332125041 /nfs/dbraw/zinc/12/50/41/332125041.db2.gz FXCMOPHWHSCABQ-UHFFFAOYSA-N 1 2 250.342 1.470 20 30 CDEDLO C#CC[N@@H+](CC#CC)CCNC(=O)OC(C)(C)C ZINC000490891522 332125042 /nfs/dbraw/zinc/12/50/42/332125042.db2.gz FXCMOPHWHSCABQ-UHFFFAOYSA-N 1 2 250.342 1.470 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)CSCC[NH+]1CCOCC1 ZINC000160026700 327587392 /nfs/dbraw/zinc/58/73/92/327587392.db2.gz LCGJFKCHKQLSDW-CYBMUJFWSA-N 1 2 299.440 1.060 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000357955858 328880275 /nfs/dbraw/zinc/88/02/75/328880275.db2.gz RTBSIGLKFJBWMJ-NSHDSACASA-N 1 2 250.346 1.964 20 30 CDEDLO C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378431151 329050075 /nfs/dbraw/zinc/05/00/75/329050075.db2.gz DWODLTBUDXZVCT-CYBMUJFWSA-N 1 2 276.384 1.971 20 30 CDEDLO Cc1cccc2[nH+]c(CNC(=O)NCC3(C#N)CC3)cn21 ZINC000582642928 329117325 /nfs/dbraw/zinc/11/73/25/329117325.db2.gz PLGSDNUGLHZSMD-UHFFFAOYSA-N 1 2 283.335 1.746 20 30 CDEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NC[C@H]1CCCO1 ZINC000177031732 329178568 /nfs/dbraw/zinc/17/85/68/329178568.db2.gz IWQIYPSXYPOPTE-CQSZACIVSA-N 1 2 281.400 1.543 20 30 CDEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NC[C@H]1CCCO1 ZINC000177031732 329178569 /nfs/dbraw/zinc/17/85/69/329178569.db2.gz IWQIYPSXYPOPTE-CQSZACIVSA-N 1 2 281.400 1.543 20 30 CDEDLO COC(=O)[C@@H]1CC[N@H+](CCCCC#N)[C@H](C(=O)OC)C1 ZINC000183127500 329244908 /nfs/dbraw/zinc/24/49/08/329244908.db2.gz ZVOWWFSCRFHJAB-NEPJUHHUSA-N 1 2 282.340 1.107 20 30 CDEDLO COC(=O)[C@@H]1CC[N@@H+](CCCCC#N)[C@H](C(=O)OC)C1 ZINC000183127500 329244910 /nfs/dbraw/zinc/24/49/10/329244910.db2.gz ZVOWWFSCRFHJAB-NEPJUHHUSA-N 1 2 282.340 1.107 20 30 CDEDLO CC(C)C[C@@H]1C[C@H]1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000583029062 329304681 /nfs/dbraw/zinc/30/46/81/329304681.db2.gz ZNVVEURVJGPQCM-YRGRVCCFSA-N 1 2 251.374 1.629 20 30 CDEDLO C#C[C@@H](C)NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000190243513 329393752 /nfs/dbraw/zinc/39/37/52/329393752.db2.gz QAUQSWOUSKCYFN-LLVKDONJSA-N 1 2 296.330 1.164 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000451241510 331021544 /nfs/dbraw/zinc/02/15/44/331021544.db2.gz GSCLZLDUGZBIOC-LBPRGKRZSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000451241510 331021545 /nfs/dbraw/zinc/02/15/45/331021545.db2.gz GSCLZLDUGZBIOC-LBPRGKRZSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CCCOCCNC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000454710850 331152065 /nfs/dbraw/zinc/15/20/65/331152065.db2.gz FSVBZYNPFVRMPX-RYUDHWBXSA-N 1 2 278.356 1.781 20 30 CDEDLO C=C(C)CCNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000454991093 331158361 /nfs/dbraw/zinc/15/83/61/331158361.db2.gz LDCZXTMVHXBSEH-CYBMUJFWSA-N 1 2 267.373 1.115 20 30 CDEDLO C=C(C)CCNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000454991093 331158362 /nfs/dbraw/zinc/15/83/62/331158362.db2.gz LDCZXTMVHXBSEH-CYBMUJFWSA-N 1 2 267.373 1.115 20 30 CDEDLO C=C(C)CCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000455322950 331166083 /nfs/dbraw/zinc/16/60/83/331166083.db2.gz KEIYHVKSJIQBFE-ZIAGYGMSSA-N 1 2 281.400 1.457 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000456785067 331203905 /nfs/dbraw/zinc/20/39/05/331203905.db2.gz XWDWUYYPPUGUBU-CYBMUJFWSA-N 1 2 287.363 1.788 20 30 CDEDLO C#CC[N@@H+](CC#CC)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000490715172 332107709 /nfs/dbraw/zinc/10/77/09/332107709.db2.gz UQUGCCIBSLIKAE-MRXNPFEDSA-N 1 2 282.343 1.970 20 30 CDEDLO C#CC[N@H+](CC#CC)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000490715172 332107710 /nfs/dbraw/zinc/10/77/10/332107710.db2.gz UQUGCCIBSLIKAE-MRXNPFEDSA-N 1 2 282.343 1.970 20 30 CDEDLO C#C[C@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)C ZINC000490971074 332134395 /nfs/dbraw/zinc/13/43/95/332134395.db2.gz AMBZYKPTQKMBEZ-ZDUSSCGKSA-N 1 2 281.400 1.054 20 30 CDEDLO C#CC[N@@H+](CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491118339 332151548 /nfs/dbraw/zinc/15/15/48/332151548.db2.gz CQVGWRMSTOLBBI-CYBMUJFWSA-N 1 2 285.409 1.068 20 30 CDEDLO C#CC[N@H+](CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491118339 332151549 /nfs/dbraw/zinc/15/15/49/332151549.db2.gz CQVGWRMSTOLBBI-CYBMUJFWSA-N 1 2 285.409 1.068 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000491325218 332189562 /nfs/dbraw/zinc/18/95/62/332189562.db2.gz ANYSENATGQIXKT-SECBINFHSA-N 1 2 261.281 1.147 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000491325218 332189563 /nfs/dbraw/zinc/18/95/63/332189563.db2.gz ANYSENATGQIXKT-SECBINFHSA-N 1 2 261.281 1.147 20 30 CDEDLO C#C[C@@H](CC)NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000491430675 332210553 /nfs/dbraw/zinc/21/05/53/332210553.db2.gz ZENLWHAKZYCGON-RYUDHWBXSA-N 1 2 260.341 1.582 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000491484552 332219627 /nfs/dbraw/zinc/21/96/27/332219627.db2.gz JHFGSDMGCIQMND-VIFPVBQESA-N 1 2 258.281 1.925 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000491484552 332219628 /nfs/dbraw/zinc/21/96/28/332219628.db2.gz JHFGSDMGCIQMND-VIFPVBQESA-N 1 2 258.281 1.925 20 30 CDEDLO C#CCN(CCc1cc[nH+]cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000491495816 332222846 /nfs/dbraw/zinc/22/28/46/332222846.db2.gz LZHQQAGYFLMUIV-OAHLLOKOSA-N 1 2 292.404 1.055 20 30 CDEDLO C#CC[N@@H+](CCc1ccncc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000491495816 332222847 /nfs/dbraw/zinc/22/28/47/332222847.db2.gz LZHQQAGYFLMUIV-OAHLLOKOSA-N 1 2 292.404 1.055 20 30 CDEDLO C#CC[N@H+](CCc1ccncc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000491495816 332222848 /nfs/dbraw/zinc/22/28/48/332222848.db2.gz LZHQQAGYFLMUIV-OAHLLOKOSA-N 1 2 292.404 1.055 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)Nc1cccc(F)c1C ZINC000491675633 332281329 /nfs/dbraw/zinc/28/13/29/332281329.db2.gz MIKBKZVJZCDDGN-ZDUSSCGKSA-N 1 2 290.338 1.797 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)Nc1cccc(F)c1C ZINC000491675633 332281331 /nfs/dbraw/zinc/28/13/31/332281331.db2.gz MIKBKZVJZCDDGN-ZDUSSCGKSA-N 1 2 290.338 1.797 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000491771607 332338109 /nfs/dbraw/zinc/33/81/09/332338109.db2.gz PBBVJUSIBHMFSC-LBPRGKRZSA-N 1 2 299.374 1.704 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000491771607 332338110 /nfs/dbraw/zinc/33/81/10/332338110.db2.gz PBBVJUSIBHMFSC-LBPRGKRZSA-N 1 2 299.374 1.704 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1CC[C@@H](Cc2ccccc2)C1=O ZINC000491772425 332338634 /nfs/dbraw/zinc/33/86/34/332338634.db2.gz QPOREMLVFZSACT-ZBFHGGJFSA-N 1 2 270.376 1.989 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1CC[C@@H](Cc2ccccc2)C1=O ZINC000491772425 332338635 /nfs/dbraw/zinc/33/86/35/332338635.db2.gz QPOREMLVFZSACT-ZBFHGGJFSA-N 1 2 270.376 1.989 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000491773776 332339808 /nfs/dbraw/zinc/33/98/08/332339808.db2.gz CJFDTJHVXTVWIF-CMPLNLGQSA-N 1 2 260.341 1.534 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)CN(c2ccccc2)C1=O ZINC000491808896 332361688 /nfs/dbraw/zinc/36/16/88/332361688.db2.gz WQUYLINCEFTWAQ-GFCCVEGCSA-N 1 2 271.320 1.366 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)CN(c2ccccc2)C1=O ZINC000491808896 332361689 /nfs/dbraw/zinc/36/16/89/332361689.db2.gz WQUYLINCEFTWAQ-GFCCVEGCSA-N 1 2 271.320 1.366 20 30 CDEDLO COc1ccc(F)cc1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000517377881 333098384 /nfs/dbraw/zinc/09/83/84/333098384.db2.gz XCPPKLVPLOJWBK-OAHLLOKOSA-N 1 2 293.342 1.337 20 30 CDEDLO CO[C@H](Cc1ccccc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000521882347 333195555 /nfs/dbraw/zinc/19/55/55/333195555.db2.gz FOWCXSCABKMPLV-ZBFHGGJFSA-N 1 2 289.379 1.204 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000192222507 333232834 /nfs/dbraw/zinc/23/28/34/333232834.db2.gz ZKJCZMXPQOVBCN-VIFPVBQESA-N 1 2 252.264 1.857 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000192222507 333232835 /nfs/dbraw/zinc/23/28/35/333232835.db2.gz ZKJCZMXPQOVBCN-VIFPVBQESA-N 1 2 252.264 1.857 20 30 CDEDLO CO[C@@H](C)c1noc(C[NH+]2CCC(CC#N)CC2)n1 ZINC000541951853 333803938 /nfs/dbraw/zinc/80/39/38/333803938.db2.gz MHXBCJXBRYVDML-JTQLQIEISA-N 1 2 264.329 1.903 20 30 CDEDLO CC[C@@H]1C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CCO1 ZINC000555482719 334479594 /nfs/dbraw/zinc/47/95/94/334479594.db2.gz HZCVFALDSSYBNJ-OUCADQQQSA-N 1 2 267.373 1.152 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCC(F)(F)F ZINC000565052180 334536695 /nfs/dbraw/zinc/53/66/95/334536695.db2.gz VXCBGUDAALTEQX-JTQLQIEISA-N 1 2 265.279 1.679 20 30 CDEDLO C=CCSCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000565601950 334578518 /nfs/dbraw/zinc/57/85/18/334578518.db2.gz ATCISMADLCDYFK-NSHDSACASA-N 1 2 253.371 1.870 20 30 CDEDLO Cc1cc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)c(C)c[nH+]1 ZINC000578999348 335697972 /nfs/dbraw/zinc/69/79/72/335697972.db2.gz UIXNYRKVFYGOBU-NWDGAFQWSA-N 1 2 258.325 1.934 20 30 CDEDLO C=CC(C)(C)CC(=O)NC[C@H](C)[NH2+]Cc1nc(CC)no1 ZINC001752875510 1159946285 /nfs/dbraw/zinc/94/62/85/1159946285.db2.gz VIBLHSFFPQCEDK-NSHDSACASA-N 1 2 294.399 1.829 20 30 CDEDLO C=CCOCC(=O)N[C@@H]1CCC[N@H+](CC(=C)Cl)[C@@H]1C ZINC001755714875 1160489378 /nfs/dbraw/zinc/48/93/78/1160489378.db2.gz QXKSQRHUGQVRPN-CHWSQXEVSA-N 1 2 286.803 1.911 20 30 CDEDLO C=CCOCC(=O)N[C@@H]1CCC[N@@H+](CC(=C)Cl)[C@@H]1C ZINC001755714875 1160489380 /nfs/dbraw/zinc/48/93/80/1160489380.db2.gz QXKSQRHUGQVRPN-CHWSQXEVSA-N 1 2 286.803 1.911 20 30 CDEDLO N#Cc1cccc2c1CCN2C(=O)CCn1cc[nH+]c1 ZINC000335599471 482455320 /nfs/dbraw/zinc/45/53/20/482455320.db2.gz YGWOANVXMXYNHM-UHFFFAOYSA-N 1 2 266.304 1.734 20 30 CDEDLO C=C[C@H](C)Nc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000665706103 482557390 /nfs/dbraw/zinc/55/73/90/482557390.db2.gz RPQVHJRCCQHTGO-QJPTWQEYSA-N 1 2 262.357 1.670 20 30 CDEDLO C=C[C@H](C)Nc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000665706103 482557394 /nfs/dbraw/zinc/55/73/94/482557394.db2.gz RPQVHJRCCQHTGO-QJPTWQEYSA-N 1 2 262.357 1.670 20 30 CDEDLO C=C[C@H](O)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000669283697 482644200 /nfs/dbraw/zinc/64/42/00/482644200.db2.gz KZUQEJZFBPOACQ-AWEZNQCLSA-N 1 2 285.347 1.437 20 30 CDEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)[C@@H]2COC[C@H]2O)[C@H]1C ZINC000329187762 533816158 /nfs/dbraw/zinc/81/61/58/533816158.db2.gz QFSGSLFWZYAZBA-MBJXGIAVSA-N 1 2 284.400 1.459 20 30 CDEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)[C@@H]2COC[C@H]2O)[C@H]1C ZINC000329187762 533816164 /nfs/dbraw/zinc/81/61/64/533816164.db2.gz QFSGSLFWZYAZBA-MBJXGIAVSA-N 1 2 284.400 1.459 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1O ZINC001085491069 1161943277 /nfs/dbraw/zinc/94/32/77/1161943277.db2.gz ONHRDUHTBHOQPH-CYBMUJFWSA-N 1 2 272.348 1.562 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1O ZINC001085491069 1161943279 /nfs/dbraw/zinc/94/32/79/1161943279.db2.gz ONHRDUHTBHOQPH-CYBMUJFWSA-N 1 2 272.348 1.562 20 30 CDEDLO C#C[C@H](C)[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000184695377 518356726 /nfs/dbraw/zinc/35/67/26/518356726.db2.gz HUPUTNBHRKUPPD-KWQFWETISA-N 1 2 281.153 1.587 20 30 CDEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)CC#N ZINC000332677852 534364026 /nfs/dbraw/zinc/36/40/26/534364026.db2.gz JGPACZJAEPVIKX-RYUDHWBXSA-N 1 2 294.330 1.234 20 30 CDEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)CC#N ZINC000332677852 534364033 /nfs/dbraw/zinc/36/40/33/534364033.db2.gz JGPACZJAEPVIKX-RYUDHWBXSA-N 1 2 294.330 1.234 20 30 CDEDLO CC(=O)NC[C@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000246330295 519674574 /nfs/dbraw/zinc/67/45/74/519674574.db2.gz HYERIYISLLNFCS-LRDDRELGSA-N 1 2 287.363 1.456 20 30 CDEDLO CC(=O)NC[C@H]1C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000246330295 519674576 /nfs/dbraw/zinc/67/45/76/519674576.db2.gz HYERIYISLLNFCS-LRDDRELGSA-N 1 2 287.363 1.456 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)C[C@]2(CCOC2)O1 ZINC000330089306 534449378 /nfs/dbraw/zinc/44/93/78/534449378.db2.gz VUAQVSSUEGWIQF-IPYPFGDCSA-N 1 2 298.383 1.002 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)C[C@]2(CCOC2)O1 ZINC000330089306 534449385 /nfs/dbraw/zinc/44/93/85/534449385.db2.gz VUAQVSSUEGWIQF-IPYPFGDCSA-N 1 2 298.383 1.002 20 30 CDEDLO Cc1ccc2nc(C[NH2+][C@H]3CCC[C@H]3C#N)cc(=O)n2c1 ZINC000332131997 534504477 /nfs/dbraw/zinc/50/44/77/534504477.db2.gz HFORINHEQFURLK-JSGCOSHPSA-N 1 2 282.347 1.785 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCOc3c(F)cccc3C2)C1=O ZINC000335916613 526481493 /nfs/dbraw/zinc/48/14/93/526481493.db2.gz ZXBCYDNSNAHFEO-CQSZACIVSA-N 1 2 290.338 1.807 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCOc3c(F)cccc3C2)C1=O ZINC000335916613 526481499 /nfs/dbraw/zinc/48/14/99/526481499.db2.gz ZXBCYDNSNAHFEO-CQSZACIVSA-N 1 2 290.338 1.807 20 30 CDEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC1CC1 ZINC000352806663 526562067 /nfs/dbraw/zinc/56/20/67/526562067.db2.gz VAAFRCULJLANAU-GFCCVEGCSA-N 1 2 292.379 1.817 20 30 CDEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC1CC1 ZINC000352806663 526562071 /nfs/dbraw/zinc/56/20/71/526562071.db2.gz VAAFRCULJLANAU-GFCCVEGCSA-N 1 2 292.379 1.817 20 30 CDEDLO C=CCN(C)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000355917367 527568182 /nfs/dbraw/zinc/56/81/82/527568182.db2.gz HTRFORURMFFPAK-CYBMUJFWSA-N 1 2 292.383 1.128 20 30 CDEDLO C=CCN(C)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000355917367 527568189 /nfs/dbraw/zinc/56/81/89/527568189.db2.gz HTRFORURMFFPAK-CYBMUJFWSA-N 1 2 292.383 1.128 20 30 CDEDLO CN1CCO[C@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@@H]21 ZINC000121120432 536445228 /nfs/dbraw/zinc/44/52/28/536445228.db2.gz CFYLUPWLUXVXLT-GJZGRUSLSA-N 1 2 275.327 1.212 20 30 CDEDLO CN1CCO[C@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@@H]21 ZINC000121120432 536445230 /nfs/dbraw/zinc/44/52/30/536445230.db2.gz CFYLUPWLUXVXLT-GJZGRUSLSA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3cc(C#N)ccc3F)C[C@@H]21 ZINC000121120432 536445231 /nfs/dbraw/zinc/44/52/31/536445231.db2.gz CFYLUPWLUXVXLT-GJZGRUSLSA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3cc(C#N)ccc3F)C[C@@H]21 ZINC000121120432 536445234 /nfs/dbraw/zinc/44/52/34/536445234.db2.gz CFYLUPWLUXVXLT-GJZGRUSLSA-N 1 2 275.327 1.212 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)/C=C\c1ccccc1C#N ZINC000729385640 574757109 /nfs/dbraw/zinc/75/71/09/574757109.db2.gz WSJLYCMKVPXSGV-AFNCTOJWSA-N 1 2 299.374 1.408 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)/C=C\c1ccccc1C#N ZINC000729385640 574757110 /nfs/dbraw/zinc/75/71/10/574757110.db2.gz WSJLYCMKVPXSGV-AFNCTOJWSA-N 1 2 299.374 1.408 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(OC)c1 ZINC000730095973 574848491 /nfs/dbraw/zinc/84/84/91/574848491.db2.gz WJVIWKCYJRQMHN-ZDUSSCGKSA-N 1 2 288.347 1.740 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(OC)c1 ZINC000730095973 574848493 /nfs/dbraw/zinc/84/84/93/574848493.db2.gz WJVIWKCYJRQMHN-ZDUSSCGKSA-N 1 2 288.347 1.740 20 30 CDEDLO CCOC(=O)[C@H](C)[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763541629 575034503 /nfs/dbraw/zinc/03/45/03/575034503.db2.gz HEIHBRDUDWBOFZ-SMDDNHRTSA-N 1 2 276.336 1.475 20 30 CDEDLO CCOC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763541629 575034504 /nfs/dbraw/zinc/03/45/04/575034504.db2.gz HEIHBRDUDWBOFZ-SMDDNHRTSA-N 1 2 276.336 1.475 20 30 CDEDLO CS(=O)(=O)c1ccccc1N=NCc1[nH]cc[nH+]1 ZINC000731934183 575072703 /nfs/dbraw/zinc/07/27/03/575072703.db2.gz VGKXWNVMKNMMLE-UHFFFAOYSA-N 1 2 264.310 1.259 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000732122683 575080700 /nfs/dbraw/zinc/08/07/00/575080700.db2.gz GHVJOLOBPIGMMJ-VBKZILBWSA-N 1 2 290.388 1.460 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000732122683 575080701 /nfs/dbraw/zinc/08/07/01/575080701.db2.gz GHVJOLOBPIGMMJ-VBKZILBWSA-N 1 2 290.388 1.460 20 30 CDEDLO C[N@H+](CC(F)F)C1CCN(c2ccc(C#N)nn2)CC1 ZINC000767249293 575103723 /nfs/dbraw/zinc/10/37/23/575103723.db2.gz COXAGJVWYMAIMJ-UHFFFAOYSA-N 1 2 281.310 1.514 20 30 CDEDLO C[N@@H+](CC(F)F)C1CCN(c2ccc(C#N)nn2)CC1 ZINC000767249293 575103724 /nfs/dbraw/zinc/10/37/24/575103724.db2.gz COXAGJVWYMAIMJ-UHFFFAOYSA-N 1 2 281.310 1.514 20 30 CDEDLO C#CCOc1ccccc1C[N@H+](CC)CC(=O)N(C)C ZINC000768305824 575124567 /nfs/dbraw/zinc/12/45/67/575124567.db2.gz AIXOKADQPAVYBD-UHFFFAOYSA-N 1 2 274.364 1.609 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+](CC)CC(=O)N(C)C ZINC000768305824 575124568 /nfs/dbraw/zinc/12/45/68/575124568.db2.gz AIXOKADQPAVYBD-UHFFFAOYSA-N 1 2 274.364 1.609 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761056639 576539043 /nfs/dbraw/zinc/53/90/43/576539043.db2.gz OQWVPKJFUQUECN-CMPLNLGQSA-N 1 2 291.317 1.925 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761056639 576539045 /nfs/dbraw/zinc/53/90/45/576539045.db2.gz OQWVPKJFUQUECN-CMPLNLGQSA-N 1 2 291.317 1.925 20 30 CDEDLO C[C@H](C(=O)OCCCCC#N)[NH+]1CCSCC1 ZINC000774993813 575259553 /nfs/dbraw/zinc/25/95/53/575259553.db2.gz WYSCPMKXHAIHSD-LLVKDONJSA-N 1 2 256.371 1.661 20 30 CDEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3cn[nH]c3)CCO2)c1 ZINC000770391833 575444948 /nfs/dbraw/zinc/44/49/48/575444948.db2.gz QJNPQLWYKWDHFH-HNNXBMFYSA-N 1 2 268.320 1.855 20 30 CDEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3cn[nH]c3)CCO2)c1 ZINC000770391833 575444949 /nfs/dbraw/zinc/44/49/49/575444949.db2.gz QJNPQLWYKWDHFH-HNNXBMFYSA-N 1 2 268.320 1.855 20 30 CDEDLO C[C@H](NC(=S)NN=Cc1cccc2[nH+]ccn21)C1CC1 ZINC000771101462 575548492 /nfs/dbraw/zinc/54/84/92/575548492.db2.gz ZLPIMDSHUXSMFL-JTQLQIEISA-N 1 2 287.392 1.931 20 30 CDEDLO C=CC[N@@H+](Cn1cc(C(=O)OCC)c(C)n1)C1CC1 ZINC000771641966 575600282 /nfs/dbraw/zinc/60/02/82/575600282.db2.gz ONMKQWUJQQBZFV-UHFFFAOYSA-N 1 2 263.341 1.976 20 30 CDEDLO C=CC[N@H+](Cn1cc(C(=O)OCC)c(C)n1)C1CC1 ZINC000771641966 575600284 /nfs/dbraw/zinc/60/02/84/575600284.db2.gz ONMKQWUJQQBZFV-UHFFFAOYSA-N 1 2 263.341 1.976 20 30 CDEDLO C=Cn1cc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)cn1 ZINC000773073875 575779753 /nfs/dbraw/zinc/77/97/53/575779753.db2.gz NIFYEVHLUFBNRN-UHFFFAOYSA-N 1 2 280.295 1.405 20 30 CDEDLO C#CCCCCC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000773325234 575787149 /nfs/dbraw/zinc/78/71/49/575787149.db2.gz HTKFVPDCDPAVNY-UHFFFAOYSA-N 1 2 258.321 1.865 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)[C@@H](F)c2ccccc2)CC1 ZINC000769371070 576349531 /nfs/dbraw/zinc/34/95/31/576349531.db2.gz MXSQNCZQRYGHON-AWEZNQCLSA-N 1 2 260.312 1.475 20 30 CDEDLO C=CCN(CC=C)C(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000741147860 576539779 /nfs/dbraw/zinc/53/97/79/576539779.db2.gz XAQMPCDJYLVSOY-CYBMUJFWSA-N 1 2 280.368 1.215 20 30 CDEDLO C=CCN(CC=C)C(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000741147860 576539781 /nfs/dbraw/zinc/53/97/81/576539781.db2.gz XAQMPCDJYLVSOY-CYBMUJFWSA-N 1 2 280.368 1.215 20 30 CDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@H](C(F)(F)F)C2)cc1 ZINC000761059596 576539836 /nfs/dbraw/zinc/53/98/36/576539836.db2.gz XMSANUAHYIZNNU-RYUDHWBXSA-N 1 2 297.280 1.969 20 30 CDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@H](C(F)(F)F)C2)cc1 ZINC000761059596 576539838 /nfs/dbraw/zinc/53/98/38/576539838.db2.gz XMSANUAHYIZNNU-RYUDHWBXSA-N 1 2 297.280 1.969 20 30 CDEDLO C=CCN1CC(=O)N(CCCNc2cccc[nH+]2)C1=O ZINC000761085444 576545516 /nfs/dbraw/zinc/54/55/16/576545516.db2.gz GVGVVSVCJCBRBP-UHFFFAOYSA-N 1 2 274.324 1.334 20 30 CDEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)[C@H]1CCOC1 ZINC000761838801 576596759 /nfs/dbraw/zinc/59/67/59/576596759.db2.gz MABOOJMVEVZYEM-NSHDSACASA-N 1 2 272.312 1.487 20 30 CDEDLO CC(C[C@@H]1CCOC1)N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761854275 576598195 /nfs/dbraw/zinc/59/81/95/576598195.db2.gz CCSDKFPUEXIJBO-LBPRGKRZSA-N 1 2 286.339 1.877 20 30 CDEDLO C#CCOc1ccc(C(=O)NCCNc2cccc[nH+]2)cc1 ZINC000743300245 576631455 /nfs/dbraw/zinc/63/14/55/576631455.db2.gz PJMHMJUUYIYPEH-UHFFFAOYSA-N 1 2 295.342 1.936 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCS2)CC1 ZINC000743319239 576632582 /nfs/dbraw/zinc/63/25/82/576632582.db2.gz HOROUXQNVKOCJV-GFCCVEGCSA-N 1 2 252.383 1.050 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)CSCCCC)CC1 ZINC000744366150 576677735 /nfs/dbraw/zinc/67/77/35/576677735.db2.gz DKSGWWXNHTUNFH-UHFFFAOYSA-N 1 2 268.426 1.687 20 30 CDEDLO COCC#CC[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000762916614 576692123 /nfs/dbraw/zinc/69/21/23/576692123.db2.gz HXNHQHUWRYKGBG-UHFFFAOYSA-N 1 2 280.755 1.860 20 30 CDEDLO COCC#CC[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000762916614 576692125 /nfs/dbraw/zinc/69/21/25/576692125.db2.gz HXNHQHUWRYKGBG-UHFFFAOYSA-N 1 2 280.755 1.860 20 30 CDEDLO COCC#CC[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000762925562 576694180 /nfs/dbraw/zinc/69/41/80/576694180.db2.gz HJUHEUFAYDEOSA-UHFFFAOYSA-N 1 2 293.798 1.502 20 30 CDEDLO COCC#CC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000762925457 576694249 /nfs/dbraw/zinc/69/42/49/576694249.db2.gz GJMVATLJTJYNSR-IAGOWNOFSA-N 1 2 289.375 1.461 20 30 CDEDLO COCC#CC[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000762925457 576694251 /nfs/dbraw/zinc/69/42/51/576694251.db2.gz GJMVATLJTJYNSR-IAGOWNOFSA-N 1 2 289.375 1.461 20 30 CDEDLO COCC#CC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000753864051 576863367 /nfs/dbraw/zinc/86/33/67/576863367.db2.gz ZFGSWRWZYNXYDU-CYBMUJFWSA-N 1 2 282.384 1.577 20 30 CDEDLO COCC#CC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000753864051 576863368 /nfs/dbraw/zinc/86/33/68/576863368.db2.gz ZFGSWRWZYNXYDU-CYBMUJFWSA-N 1 2 282.384 1.577 20 30 CDEDLO CC[C@@H]1CC(=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)CCO1 ZINC000753937208 576867421 /nfs/dbraw/zinc/86/74/21/576867421.db2.gz WWWRVDFMKCRTMH-AGIUHOORSA-N 1 2 264.373 1.791 20 30 CDEDLO CC[C@@H]1CC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)CCO1 ZINC000753937208 576867422 /nfs/dbraw/zinc/86/74/22/576867422.db2.gz WWWRVDFMKCRTMH-AGIUHOORSA-N 1 2 264.373 1.791 20 30 CDEDLO N#Cc1ccc([C@@H]([NH2+]Cc2cccc(F)n2)C(N)=O)cc1 ZINC000747744704 576883232 /nfs/dbraw/zinc/88/32/32/576883232.db2.gz QXFCZVZEFZASDT-CQSZACIVSA-N 1 2 284.294 1.409 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[C@@H]1SCC ZINC000748575328 576918352 /nfs/dbraw/zinc/91/83/52/576918352.db2.gz GCQLHOSGHPXDKE-IHRRRGAJSA-N 1 2 280.437 1.874 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[C@@H]1SCC ZINC000748575328 576918353 /nfs/dbraw/zinc/91/83/53/576918353.db2.gz GCQLHOSGHPXDKE-IHRRRGAJSA-N 1 2 280.437 1.874 20 30 CDEDLO CCNc1nc(N=NCc2[nH]c[nH+]c2C)nc(NCC)n1 ZINC000755512383 576947713 /nfs/dbraw/zinc/94/77/13/576947713.db2.gz IEXOSHADIJFKJZ-UHFFFAOYSA-N 1 2 289.347 1.213 20 30 CDEDLO CC(C)C[N@H+](CCC#N)CC(=O)N[C@](C)(C#N)C(C)C ZINC000755670696 576954577 /nfs/dbraw/zinc/95/45/77/576954577.db2.gz POIBSNPSHJAGSZ-OAHLLOKOSA-N 1 2 278.400 1.913 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)CC(=O)N[C@](C)(C#N)C(C)C ZINC000755670696 576954579 /nfs/dbraw/zinc/95/45/79/576954579.db2.gz POIBSNPSHJAGSZ-OAHLLOKOSA-N 1 2 278.400 1.913 20 30 CDEDLO C=C(C)[C@H](CC(=O)OCC[NH+]1CCOCC1)OCC ZINC000756472271 576991235 /nfs/dbraw/zinc/99/12/35/576991235.db2.gz VLIZXKDCVOYVNU-ZDUSSCGKSA-N 1 2 271.357 1.233 20 30 CDEDLO C#CCNC(=S)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000758218941 577084066 /nfs/dbraw/zinc/08/40/66/577084066.db2.gz YUHSSMDBIDXUBL-UHFFFAOYSA-N 1 2 288.351 1.609 20 30 CDEDLO Cc1ccn(C[NH+]2CCC(OC(C)C)CC2)c(=O)c1C#N ZINC000758226588 577085388 /nfs/dbraw/zinc/08/53/88/577085388.db2.gz RMZWBNBTTCROPO-UHFFFAOYSA-N 1 2 289.379 1.875 20 30 CDEDLO CC(C)CO[C@H]1CC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758235550 577087304 /nfs/dbraw/zinc/08/73/04/577087304.db2.gz IMIIEASSAASPQY-AWEZNQCLSA-N 1 2 275.352 1.424 20 30 CDEDLO CC(C)CO[C@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758235550 577087305 /nfs/dbraw/zinc/08/73/05/577087305.db2.gz IMIIEASSAASPQY-AWEZNQCLSA-N 1 2 275.352 1.424 20 30 CDEDLO CN(C)c1nccc(N[NH+]=Cc2ccc3c(c2)CCN3C)n1 ZINC000752734874 577121893 /nfs/dbraw/zinc/12/18/93/577121893.db2.gz SIIDJSJAMYPXKR-UHFFFAOYSA-N 1 2 296.378 1.981 20 30 CDEDLO Cn1c[nH+]cc1CON=CC(=O)Nc1cccc(F)c1 ZINC000753118965 577147472 /nfs/dbraw/zinc/14/74/72/577147472.db2.gz UZESDMMYGAQHDF-UHFFFAOYSA-N 1 2 276.271 1.700 20 30 CDEDLO C#CCOCCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000753384175 577165079 /nfs/dbraw/zinc/16/50/79/577165079.db2.gz VTJMWOBVAYPWKA-LBPRGKRZSA-N 1 2 276.340 1.296 20 30 CDEDLO C#CC[C@H](NC(=O)Cc1c[nH+]cn1C)c1ccccc1 ZINC000807162908 617227436 /nfs/dbraw/zinc/22/74/36/617227436.db2.gz COIKZWRNRHGXSR-HNNXBMFYSA-N 1 2 267.332 1.843 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ocnc2CC)CC1 ZINC000950394109 613011165 /nfs/dbraw/zinc/01/11/65/613011165.db2.gz AYLDLZBVPSAKMU-UHFFFAOYSA-N 1 2 261.325 1.018 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2nc(Cl)cs2)CC1 ZINC000981821553 613160279 /nfs/dbraw/zinc/16/02/79/613160279.db2.gz NOUKIQOLFBARFQ-UHFFFAOYSA-N 1 2 283.784 1.578 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2nc(Cl)cs2)CC1 ZINC000981821553 613160280 /nfs/dbraw/zinc/16/02/80/613160280.db2.gz NOUKIQOLFBARFQ-UHFFFAOYSA-N 1 2 283.784 1.578 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCF)CC[C@@H]2C)nc1 ZINC000968548224 613187012 /nfs/dbraw/zinc/18/70/12/613187012.db2.gz FCFGVOHNIRLOLA-SWLSCSKDSA-N 1 2 289.354 1.473 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCF)CC[C@@H]2C)nc1 ZINC000968548224 613187014 /nfs/dbraw/zinc/18/70/14/613187014.db2.gz FCFGVOHNIRLOLA-SWLSCSKDSA-N 1 2 289.354 1.473 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC3(C)C)CC2)C1 ZINC000949343495 613210092 /nfs/dbraw/zinc/21/00/92/613210092.db2.gz DZDAWKDRDWTDOU-AWEZNQCLSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC3(C)C)CC2)C1 ZINC000949343495 613210094 /nfs/dbraw/zinc/21/00/94/613210094.db2.gz DZDAWKDRDWTDOU-AWEZNQCLSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3=CCCC3)C2)C1 ZINC000972338947 613212385 /nfs/dbraw/zinc/21/23/85/613212385.db2.gz KNZKTWDZYFICPW-MRXNPFEDSA-N 1 2 274.364 1.033 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3=CCCC3)C2)C1 ZINC000972338947 613212386 /nfs/dbraw/zinc/21/23/86/613212386.db2.gz KNZKTWDZYFICPW-MRXNPFEDSA-N 1 2 274.364 1.033 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cccc3nc[nH]c32)C[C@@H]1C ZINC000947840367 613237335 /nfs/dbraw/zinc/23/73/35/613237335.db2.gz DKUZLBTWOTZQCL-QWHCGFSZSA-N 1 2 296.374 1.779 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc3nc[nH]c32)C[C@@H]1C ZINC000947840367 613237337 /nfs/dbraw/zinc/23/73/37/613237337.db2.gz DKUZLBTWOTZQCL-QWHCGFSZSA-N 1 2 296.374 1.779 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2n[nH]c3ccccc32)[C@@H](C)C1 ZINC000944619212 613277153 /nfs/dbraw/zinc/27/71/53/613277153.db2.gz KHDQTSHEFUGWOB-JSGCOSHPSA-N 1 2 296.374 1.636 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2n[nH]c3ccccc32)[C@@H](C)C1 ZINC000944619212 613277155 /nfs/dbraw/zinc/27/71/55/613277155.db2.gz KHDQTSHEFUGWOB-JSGCOSHPSA-N 1 2 296.374 1.636 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2n[nH]c3ccccc32)C[C@@H]1C ZINC000947995363 613277633 /nfs/dbraw/zinc/27/76/33/613277633.db2.gz XTROOPPMRVRKJC-STQMWFEESA-N 1 2 296.374 1.779 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2n[nH]c3ccccc32)C[C@@H]1C ZINC000947995363 613277634 /nfs/dbraw/zinc/27/76/34/613277634.db2.gz XTROOPPMRVRKJC-STQMWFEESA-N 1 2 296.374 1.779 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(CC)n[nH]2)C1 ZINC000949696886 613295971 /nfs/dbraw/zinc/29/59/71/613295971.db2.gz WIEGJFIECFPRNW-UHFFFAOYSA-N 1 2 276.384 1.695 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c[nH]c(C)n2)C1 ZINC000949784435 613296781 /nfs/dbraw/zinc/29/67/81/613296781.db2.gz JXPOTHNBXJMJAY-UHFFFAOYSA-N 1 2 262.357 1.441 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)C2(C3CC3)CCOCC2)CC1 ZINC000949477127 613315369 /nfs/dbraw/zinc/31/53/69/613315369.db2.gz KWAYEXKLVMAGID-UHFFFAOYSA-N 1 2 292.423 1.914 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2CCOCC2)C1 ZINC000969195476 613371640 /nfs/dbraw/zinc/37/16/40/613371640.db2.gz IHQGGYYTOBFFSK-LLVKDONJSA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2cnoc2)C1 ZINC000967946848 613377791 /nfs/dbraw/zinc/37/77/91/613377791.db2.gz UUUJVFGSTHSAIN-GXFFZTMASA-N 1 2 297.786 1.796 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2cnoc2)C1 ZINC000967946848 613377792 /nfs/dbraw/zinc/37/77/92/613377792.db2.gz UUUJVFGSTHSAIN-GXFFZTMASA-N 1 2 297.786 1.796 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccnn2C)C(C)(C)C1 ZINC000972855492 613379853 /nfs/dbraw/zinc/37/98/53/613379853.db2.gz JNYPSZBYQPJJPO-GFCCVEGCSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccnn2C)C(C)(C)C1 ZINC000972855492 613379854 /nfs/dbraw/zinc/37/98/54/613379854.db2.gz JNYPSZBYQPJJPO-GFCCVEGCSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2occc2C)C1 ZINC000957855499 613380957 /nfs/dbraw/zinc/38/09/57/613380957.db2.gz OKYYHPOTDSXADW-RYUDHWBXSA-N 1 2 298.770 1.363 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2occc2C)C1 ZINC000957855499 613380958 /nfs/dbraw/zinc/38/09/58/613380958.db2.gz OKYYHPOTDSXADW-RYUDHWBXSA-N 1 2 298.770 1.363 20 30 CDEDLO C=C(Cl)CN1C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977667506 613381063 /nfs/dbraw/zinc/38/10/63/613381063.db2.gz NDOHAXKFTVAKAF-LBPRGKRZSA-N 1 2 296.802 1.462 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2ccc3c(c2)CCC3)CC1 ZINC000957627095 613563057 /nfs/dbraw/zinc/56/30/57/613563057.db2.gz BOIDPIYMCMEPHH-UHFFFAOYSA-N 1 2 296.414 1.885 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](F)CC)C2)C1 ZINC000972496678 613569999 /nfs/dbraw/zinc/56/99/99/613569999.db2.gz IFSVEGYNSZFBMD-HIFRSBDPSA-N 1 2 282.359 1.061 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](F)CC)C2)C1 ZINC000972496678 613570000 /nfs/dbraw/zinc/57/00/00/613570000.db2.gz IFSVEGYNSZFBMD-HIFRSBDPSA-N 1 2 282.359 1.061 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC23CCOCC3)C1 ZINC000957473500 613653698 /nfs/dbraw/zinc/65/36/98/613653698.db2.gz ILZUQMCMCQGSHP-AWEZNQCLSA-N 1 2 278.396 1.522 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2nccc3[nH]ccc32)C1 ZINC000951763353 613659413 /nfs/dbraw/zinc/65/94/13/613659413.db2.gz CBVZABAENHHSAB-UHFFFAOYSA-N 1 2 284.363 1.895 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CC2CCC(OC)CC2)CC1 ZINC000957939234 613707370 /nfs/dbraw/zinc/70/73/70/613707370.db2.gz BCIJSOKCLLLASF-UHFFFAOYSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2c(C)nn(C)c2C)CC1 ZINC000949540357 613707690 /nfs/dbraw/zinc/70/76/90/613707690.db2.gz GMMIQKLUCUMHSP-UHFFFAOYSA-N 1 2 290.411 1.300 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2nc(C(C)C)no2)CC1 ZINC000949573544 613707897 /nfs/dbraw/zinc/70/78/97/613707897.db2.gz FCCHTWHNQCAYKZ-UHFFFAOYSA-N 1 2 292.383 1.456 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC000951107875 613711630 /nfs/dbraw/zinc/71/16/30/613711630.db2.gz ICDAFICLUGZBFP-HNNXBMFYSA-N 1 2 290.338 1.459 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(Br)c[nH]2)CC1 ZINC000949166772 613714442 /nfs/dbraw/zinc/71/44/42/613714442.db2.gz ZKZBITYVBHSDGB-UHFFFAOYSA-N 1 2 298.184 1.721 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc(-n3cccn3)c2)CC1 ZINC000951757782 613716668 /nfs/dbraw/zinc/71/66/68/613716668.db2.gz BNQYANQOUFLMTR-UHFFFAOYSA-N 1 2 296.374 1.816 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc(OC(C)C)n2)CC1 ZINC000956958830 613716705 /nfs/dbraw/zinc/71/67/05/613716705.db2.gz ZWSWHVOICDXMQR-UHFFFAOYSA-N 1 2 289.379 1.813 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccccc2N(C)C)CC1 ZINC000957892150 613716995 /nfs/dbraw/zinc/71/69/95/613716995.db2.gz WYNNODKIOWWEKW-UHFFFAOYSA-N 1 2 273.380 1.696 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnn3ccccc23)CC1 ZINC000951777177 613718438 /nfs/dbraw/zinc/71/84/38/613718438.db2.gz AKWSBVDWOWTNGS-UHFFFAOYSA-N 1 2 270.336 1.278 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(C)CC(=C)C3)C2)C1 ZINC000972544785 613725174 /nfs/dbraw/zinc/72/51/74/613725174.db2.gz WEKHLWRHBQIZKY-QGZVFWFLSA-N 1 2 290.407 1.832 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(C)CC(=C)C3)C2)C1 ZINC000972544785 613725177 /nfs/dbraw/zinc/72/51/77/613725177.db2.gz WEKHLWRHBQIZKY-QGZVFWFLSA-N 1 2 290.407 1.832 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC=CCC3)C2)C1 ZINC000972257020 613726031 /nfs/dbraw/zinc/72/60/31/613726031.db2.gz RAQOGQXWYACGCN-NVXWUHKLSA-N 1 2 290.407 1.832 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC=CCC3)C2)C1 ZINC000972257020 613726034 /nfs/dbraw/zinc/72/60/34/613726034.db2.gz RAQOGQXWYACGCN-NVXWUHKLSA-N 1 2 290.407 1.832 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000892839949 617813287 /nfs/dbraw/zinc/81/32/87/617813287.db2.gz XELBOJWKUSZTME-RRFJBIMHSA-N 1 2 293.411 1.293 20 30 CDEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932150580 617949210 /nfs/dbraw/zinc/94/92/10/617949210.db2.gz CWLGWZDZAXZNEU-DZGCQCFKSA-N 1 2 285.347 1.534 20 30 CDEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](C#N)C1 ZINC000932150580 617949213 /nfs/dbraw/zinc/94/92/13/617949213.db2.gz CWLGWZDZAXZNEU-DZGCQCFKSA-N 1 2 285.347 1.534 20 30 CDEDLO COC(=O)C1(C#N)CCN(c2nccn3c[nH+]cc23)CC1 ZINC000894068330 618337137 /nfs/dbraw/zinc/33/71/37/618337137.db2.gz SOTPSXMOAIUKOO-UHFFFAOYSA-N 1 2 285.307 1.012 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2cc(F)c(F)cc2F)CCCN1O ZINC000895162381 619382192 /nfs/dbraw/zinc/38/21/92/619382192.db2.gz LOXUNZZMYHFGJH-LLVKDONJSA-N 1 2 274.242 1.574 20 30 CDEDLO C[C@@H](C#N)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000896741973 620220362 /nfs/dbraw/zinc/22/03/62/620220362.db2.gz JAQUQOWAUFMBCI-JOYOIKCWSA-N 1 2 261.329 1.066 20 30 CDEDLO C[C@@H](C#N)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000896741973 620220365 /nfs/dbraw/zinc/22/03/65/620220365.db2.gz JAQUQOWAUFMBCI-JOYOIKCWSA-N 1 2 261.329 1.066 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897307592 620483217 /nfs/dbraw/zinc/48/32/17/620483217.db2.gz RZMYCOAWROXULV-BXUZGUMPSA-N 1 2 292.383 1.091 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897307592 620483218 /nfs/dbraw/zinc/48/32/18/620483218.db2.gz RZMYCOAWROXULV-BXUZGUMPSA-N 1 2 292.383 1.091 20 30 CDEDLO C=CCC1(O)CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000899589991 622318122 /nfs/dbraw/zinc/31/81/22/622318122.db2.gz LBMOOLQLKLGGTN-UHFFFAOYSA-N 1 2 285.347 1.878 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(C(C)=O)cn2C)C1 ZINC000902730460 625279566 /nfs/dbraw/zinc/27/95/66/625279566.db2.gz RRRKIMGGBRNYIN-AWEZNQCLSA-N 1 2 287.363 1.055 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C(C)=O)cn2C)C1 ZINC000902730460 625279572 /nfs/dbraw/zinc/27/95/72/625279572.db2.gz RRRKIMGGBRNYIN-AWEZNQCLSA-N 1 2 287.363 1.055 20 30 CDEDLO C#CC[N@@H+](Cn1cc(C(=O)OCC)c(C)n1)C(C)C ZINC000905743423 626957145 /nfs/dbraw/zinc/95/71/45/626957145.db2.gz QESPZGCCDGSCEN-UHFFFAOYSA-N 1 2 263.341 1.669 20 30 CDEDLO C#CC[N@H+](Cn1cc(C(=O)OCC)c(C)n1)C(C)C ZINC000905743423 626957147 /nfs/dbraw/zinc/95/71/47/626957147.db2.gz QESPZGCCDGSCEN-UHFFFAOYSA-N 1 2 263.341 1.669 20 30 CDEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cn(-c2ccn(C)n2)nn1 ZINC000906298782 627179572 /nfs/dbraw/zinc/17/95/72/627179572.db2.gz NDOPQJLKTORXRZ-CYBMUJFWSA-N 1 2 272.356 1.541 20 30 CDEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cn(-c2ccn(C)n2)nn1 ZINC000906298782 627179575 /nfs/dbraw/zinc/17/95/75/627179575.db2.gz NDOPQJLKTORXRZ-CYBMUJFWSA-N 1 2 272.356 1.541 20 30 CDEDLO C#C[C@](C)(CC)NC(=O)CC[NH+]1CCN(C(C)C)CC1 ZINC000908528925 628245983 /nfs/dbraw/zinc/24/59/83/628245983.db2.gz GBWRZFKLCSNSOT-MRXNPFEDSA-N 1 2 279.428 1.321 20 30 CDEDLO C[NH+](C)CC#CCNC(=O)c1cccc(Cl)c1O ZINC000913520404 630526154 /nfs/dbraw/zinc/52/61/54/630526154.db2.gz OKZZSNDIJVASJE-UHFFFAOYSA-N 1 2 266.728 1.340 20 30 CDEDLO C#CCN(C(=O)NCCCCn1cc[nH+]c1)C(C)C ZINC000914308138 631341420 /nfs/dbraw/zinc/34/14/20/631341420.db2.gz NDBLVGQRVDQMCO-UHFFFAOYSA-N 1 2 262.357 1.717 20 30 CDEDLO C#CCN(C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)C(C)C ZINC000917015157 632125927 /nfs/dbraw/zinc/12/59/27/632125927.db2.gz FEAFIOZZVWCSNC-KGLIPLIRSA-N 1 2 281.400 1.149 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2[nH]c(C)c(C=O)c2C)C1 ZINC000923598989 632172739 /nfs/dbraw/zinc/17/27/39/632172739.db2.gz YXRJAONPTTYMRW-ZDUSSCGKSA-N 1 2 287.363 1.271 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2[nH]c(C)c(C=O)c2C)C1 ZINC000923598989 632172747 /nfs/dbraw/zinc/17/27/47/632172747.db2.gz YXRJAONPTTYMRW-ZDUSSCGKSA-N 1 2 287.363 1.271 20 30 CDEDLO C=CC[N@@H+](CCOC)Cc1ccc(-c2nn[nH]n2)o1 ZINC001602852182 1175435079 /nfs/dbraw/zinc/43/50/79/1175435079.db2.gz LSRORGPKFHAMEF-UHFFFAOYSA-N 1 2 263.301 1.094 20 30 CDEDLO C=CC[N@H+](CCOC)Cc1ccc(-c2nn[nH]n2)o1 ZINC001602852182 1175435086 /nfs/dbraw/zinc/43/50/86/1175435086.db2.gz LSRORGPKFHAMEF-UHFFFAOYSA-N 1 2 263.301 1.094 20 30 CDEDLO C=CCO[C@H](C)C(=O)N[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001108416151 1161992119 /nfs/dbraw/zinc/99/21/19/1161992119.db2.gz LWERSHQDKOJCAS-WDEREUQCSA-N 1 2 278.356 1.293 20 30 CDEDLO Cc1nc(N[C@H](C)[C@H](C)NC(=O)C#CC2CC2)cc[nH+]1 ZINC001113036273 1162081248 /nfs/dbraw/zinc/08/12/48/1162081248.db2.gz MZLNUSUIMQLUEB-MNOVXSKESA-N 1 2 272.352 1.504 20 30 CDEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001113218178 1162131017 /nfs/dbraw/zinc/13/10/17/1162131017.db2.gz VMXABSDUKYNOHE-CABCVRRESA-N 1 2 290.411 1.486 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CN(CC)c2ccccc2)CC1 ZINC001113674642 1162251683 /nfs/dbraw/zinc/25/16/83/1162251683.db2.gz CVPCBWFADKHOAW-UHFFFAOYSA-N 1 2 299.418 1.680 20 30 CDEDLO Cc1cc(-c2nn[nH]n2)ccc1C[N@@H+](C)C[C@@H](C)C#N ZINC001609388255 1164921543 /nfs/dbraw/zinc/92/15/43/1164921543.db2.gz TZJPDVNUNKHVHS-JTQLQIEISA-N 1 2 270.340 1.767 20 30 CDEDLO Cc1cc(-c2nn[nH]n2)ccc1C[N@H+](C)C[C@@H](C)C#N ZINC001609388255 1164921546 /nfs/dbraw/zinc/92/15/46/1164921546.db2.gz TZJPDVNUNKHVHS-JTQLQIEISA-N 1 2 270.340 1.767 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC001626934248 1165967354 /nfs/dbraw/zinc/96/73/54/1165967354.db2.gz DWBIBGHHVARKIX-LBPRGKRZSA-N 1 2 260.341 1.801 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnn3cccc(C)c23)CC1 ZINC001155621228 1167261821 /nfs/dbraw/zinc/26/18/21/1167261821.db2.gz GJRRFGNVHOMFLQ-UHFFFAOYSA-N 1 2 284.363 1.587 20 30 CDEDLO CC(C)[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ncon1 ZINC001650170859 1169783572 /nfs/dbraw/zinc/78/35/72/1169783572.db2.gz XXNXAPGQIANPFC-UONOGXRCSA-N 1 2 286.335 1.962 20 30 CDEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589979601 1173222579 /nfs/dbraw/zinc/22/25/79/1173222579.db2.gz XNDMNMUYUYKTBI-JTQLQIEISA-N 1 2 298.350 1.917 20 30 CDEDLO N#CC1(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001592670069 1173960952 /nfs/dbraw/zinc/96/09/52/1173960952.db2.gz RWSOOXDKIKILOG-UHFFFAOYSA-N 1 2 272.287 1.399 20 30 CDEDLO C[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C#N)s1 ZINC000230338593 1178148399 /nfs/dbraw/zinc/14/83/99/1178148399.db2.gz SVPOUVXVAAHOBP-JTQLQIEISA-N 1 2 299.421 1.382 20 30 CDEDLO C[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C#N)s1 ZINC000230338593 1178148404 /nfs/dbraw/zinc/14/84/04/1178148404.db2.gz SVPOUVXVAAHOBP-JTQLQIEISA-N 1 2 299.421 1.382 20 30 CDEDLO C=CCCCC(=O)N(C)CC[NH2+]Cc1nc(C)no1 ZINC001753226119 1185124047 /nfs/dbraw/zinc/12/40/47/1185124047.db2.gz LBZQONZCYXVKJR-UHFFFAOYSA-N 1 2 266.345 1.282 20 30 CDEDLO C=CCOCCCC(=O)NC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001753374301 1185175097 /nfs/dbraw/zinc/17/50/97/1185175097.db2.gz ZZFMZLZDOGWZFF-OAHLLOKOSA-N 1 2 296.411 1.339 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H](C)C#N)C1 ZINC001753452614 1185214884 /nfs/dbraw/zinc/21/48/84/1185214884.db2.gz BOKXYCUHJJNDFT-PWSUYJOCSA-N 1 2 269.776 1.821 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](C)C#N)C1 ZINC001753452614 1185214887 /nfs/dbraw/zinc/21/48/87/1185214887.db2.gz BOKXYCUHJJNDFT-PWSUYJOCSA-N 1 2 269.776 1.821 20 30 CDEDLO Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]2CNCC#N)c[nH+]1 ZINC001753600960 1185262985 /nfs/dbraw/zinc/26/29/85/1185262985.db2.gz KPLVAEWGSYRUAL-CYBMUJFWSA-N 1 2 289.383 1.031 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)CCc2ccccc2)C1 ZINC001753657032 1185288423 /nfs/dbraw/zinc/28/84/23/1185288423.db2.gz XKDVAKLLDSYISX-MRXNPFEDSA-N 1 2 288.391 1.622 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)CCc2ccccc2)C1 ZINC001753657032 1185288427 /nfs/dbraw/zinc/28/84/27/1185288427.db2.gz XKDVAKLLDSYISX-MRXNPFEDSA-N 1 2 288.391 1.622 20 30 CDEDLO C=CCCC(=O)NCC1([NH2+]Cc2cc(C)on2)CC1 ZINC001754509711 1185651839 /nfs/dbraw/zinc/65/18/39/1185651839.db2.gz SLBQSVGMIXUDST-UHFFFAOYSA-N 1 2 263.341 1.688 20 30 CDEDLO Cc1cnc(C[NH2+]C2(CNC(=O)C#CC(C)C)CC2)nc1 ZINC001754513994 1185654162 /nfs/dbraw/zinc/65/41/62/1185654162.db2.gz MLKLBHNILSYMNY-UHFFFAOYSA-N 1 2 286.379 1.183 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC1([NH2+]Cc2cnon2)CCC1 ZINC001754986615 1185779256 /nfs/dbraw/zinc/77/92/56/1185779256.db2.gz MSSKEXBMRUSPSR-UHFFFAOYSA-N 1 2 292.383 1.800 20 30 CDEDLO C=CC[NH+]1CCN(c2nc(Cl)cnc2C#N)CC1 ZINC001165033295 721865214 /nfs/dbraw/zinc/86/52/14/721865214.db2.gz JMUGRVQXUJBVIM-UHFFFAOYSA-N 1 2 263.732 1.310 20 30 CDEDLO C#CCCCCNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000125281374 1165705612 /nfs/dbraw/zinc/70/56/12/1165705612.db2.gz JDUVKTQIGPKKGH-KGLIPLIRSA-N 1 2 281.400 1.198 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NCC(C)(C)CC#N ZINC000875660244 1165746034 /nfs/dbraw/zinc/74/60/34/1165746034.db2.gz VJNFTSLOPPYNAO-ZDUSSCGKSA-N 1 2 296.415 1.336 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)NCC(C)(C)CC#N ZINC000875660244 1165746042 /nfs/dbraw/zinc/74/60/42/1165746042.db2.gz VJNFTSLOPPYNAO-ZDUSSCGKSA-N 1 2 296.415 1.336 20 30 CDEDLO COCC[N@H+](CCC#N)C[C@@H](O)CC1(O)CCCCC1 ZINC000878159918 1166151474 /nfs/dbraw/zinc/15/14/74/1166151474.db2.gz ZXXKKOWMFDIIIA-AWEZNQCLSA-N 1 2 284.400 1.295 20 30 CDEDLO COCC[N@@H+](CCC#N)C[C@@H](O)CC1(O)CCCCC1 ZINC000878159918 1166151477 /nfs/dbraw/zinc/15/14/77/1166151477.db2.gz ZXXKKOWMFDIIIA-AWEZNQCLSA-N 1 2 284.400 1.295 20 30 CDEDLO CCOc1cccc(/C=[NH+]\CCCC(N)=O)c1O ZINC000255577328 796573863 /nfs/dbraw/zinc/57/38/63/796573863.db2.gz PMMXWVFKEYRBJZ-DHDCSXOGSA-N 1 2 250.298 1.475 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]cc1C1CC1 ZINC001018126202 796590297 /nfs/dbraw/zinc/59/02/97/796590297.db2.gz ZBWIBIKJADQWIZ-OKILXGFUSA-N 1 2 283.375 1.814 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]cc1C1CC1 ZINC001018126202 796590306 /nfs/dbraw/zinc/59/03/06/796590306.db2.gz ZBWIBIKJADQWIZ-OKILXGFUSA-N 1 2 283.375 1.814 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C)c(CC)o2)C1 ZINC001044177172 796610538 /nfs/dbraw/zinc/61/05/38/796610538.db2.gz NDLJSFUUDCQCRD-UHFFFAOYSA-N 1 2 274.364 1.930 20 30 CDEDLO C#CCNC(=O)CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000815078446 796625780 /nfs/dbraw/zinc/62/57/80/796625780.db2.gz ZAHSTPQHVNYYGI-INIZCTEOSA-N 1 2 297.358 1.071 20 30 CDEDLO C#CCNC(=O)CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000815078446 796625783 /nfs/dbraw/zinc/62/57/83/796625783.db2.gz ZAHSTPQHVNYYGI-INIZCTEOSA-N 1 2 297.358 1.071 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001015742851 796647079 /nfs/dbraw/zinc/64/70/79/796647079.db2.gz CIADIEFTXVOHGF-LLVKDONJSA-N 1 2 294.786 1.844 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001015742851 796647095 /nfs/dbraw/zinc/64/70/95/796647095.db2.gz CIADIEFTXVOHGF-LLVKDONJSA-N 1 2 294.786 1.844 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(CCC)c1C ZINC001038852639 796648814 /nfs/dbraw/zinc/64/88/14/796648814.db2.gz APHGJPQFSBBTEW-CQSZACIVSA-N 1 2 288.395 1.429 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(CCC)c1C ZINC001038852639 796648823 /nfs/dbraw/zinc/64/88/23/796648823.db2.gz APHGJPQFSBBTEW-CQSZACIVSA-N 1 2 288.395 1.429 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)CCN2C ZINC001032715340 796671890 /nfs/dbraw/zinc/67/18/90/796671890.db2.gz YSHVHXYLLNHSES-HOTGVXAUSA-N 1 2 295.386 1.211 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)CCN2C ZINC001032715340 796671893 /nfs/dbraw/zinc/67/18/93/796671893.db2.gz YSHVHXYLLNHSES-HOTGVXAUSA-N 1 2 295.386 1.211 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnn1C1CCC1 ZINC001038271042 796677656 /nfs/dbraw/zinc/67/76/56/796677656.db2.gz XGSCSSRCWPPDJH-AWEZNQCLSA-N 1 2 286.379 1.436 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnn1C1CCC1 ZINC001038271042 796677662 /nfs/dbraw/zinc/67/76/62/796677662.db2.gz XGSCSSRCWPPDJH-AWEZNQCLSA-N 1 2 286.379 1.436 20 30 CDEDLO C=CC[NH+]1CCC(CNC(=O)c2[nH]ncc2F)CC1 ZINC001001799120 796727725 /nfs/dbraw/zinc/72/77/25/796727725.db2.gz BDDFWEJPBDLGEA-UHFFFAOYSA-N 1 2 266.320 1.177 20 30 CDEDLO CN(C)c1ncc(C=[NH+]NCCOCC(F)(F)F)cn1 ZINC000814889231 796791838 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C=CC[C@@H]1CCCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000853607345 796849521 /nfs/dbraw/zinc/84/95/21/796849521.db2.gz XSARIQKPYKIVAR-HUUCEWRRSA-N 1 2 295.427 1.705 20 30 CDEDLO C=CCN1CC(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001031194919 796863216 /nfs/dbraw/zinc/86/32/16/796863216.db2.gz IYSYBFYIXWJLKM-UHFFFAOYSA-N 1 2 282.347 1.472 20 30 CDEDLO COCC#CC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC000776606881 796909749 /nfs/dbraw/zinc/90/97/49/796909749.db2.gz PDNRTVIYWLIQLE-KGLIPLIRSA-N 1 2 296.411 1.966 20 30 CDEDLO COCC#CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC000776606881 796909757 /nfs/dbraw/zinc/90/97/57/796909757.db2.gz PDNRTVIYWLIQLE-KGLIPLIRSA-N 1 2 296.411 1.966 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(F)CCOCC1 ZINC001017604442 796941681 /nfs/dbraw/zinc/94/16/81/796941681.db2.gz HFMJSZOTVNCDKL-OKILXGFUSA-N 1 2 294.370 1.204 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(F)CCOCC1 ZINC001017604442 796941688 /nfs/dbraw/zinc/94/16/88/796941688.db2.gz 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ZINC000980849249 797060942 /nfs/dbraw/zinc/06/09/42/797060942.db2.gz HPSAFQFZIAHFDJ-NSHDSACASA-N 1 2 276.340 1.177 20 30 CDEDLO C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CC(C)(C)OC1=O ZINC000795717467 797190682 /nfs/dbraw/zinc/19/06/82/797190682.db2.gz MHJYXXFKZSKKEK-UONOGXRCSA-N 1 2 288.347 1.618 20 30 CDEDLO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CC(C)(C)OC1=O ZINC000795717467 797190705 /nfs/dbraw/zinc/19/07/05/797190705.db2.gz MHJYXXFKZSKKEK-UONOGXRCSA-N 1 2 288.347 1.618 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NN1CCCc2ccccc21 ZINC000847064737 797282317 /nfs/dbraw/zinc/28/23/17/797282317.db2.gz RKWHMOMFNIQPKA-INIZCTEOSA-N 1 2 283.375 1.568 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NN1CCCc2ccccc21 ZINC000847064737 797282340 /nfs/dbraw/zinc/28/23/40/797282340.db2.gz RKWHMOMFNIQPKA-INIZCTEOSA-N 1 2 283.375 1.568 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H]2CCCO2)C1 ZINC001042493621 797304428 /nfs/dbraw/zinc/30/44/28/797304428.db2.gz PADCILMYKCGBOZ-CYBMUJFWSA-N 1 2 252.358 1.274 20 30 CDEDLO CC(C)N1CCC[C@@H](O[NH+]=C(N)c2ccc(F)cc2)C1=O ZINC000748443696 797314276 /nfs/dbraw/zinc/31/42/76/797314276.db2.gz MCJQRCBALUMYNV-CYBMUJFWSA-N 1 2 293.342 1.862 20 30 CDEDLO N#C[C@]1(NC(=O)Cc2[nH]cc[nH+]2)CCc2ccccc2C1 ZINC000832335337 797318301 /nfs/dbraw/zinc/31/83/01/797318301.db2.gz BCKIBXWQJFYUFH-INIZCTEOSA-N 1 2 280.331 1.520 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCCO2)C1 ZINC001046235754 797343559 /nfs/dbraw/zinc/34/35/59/797343559.db2.gz KHLWPHUHTUNROZ-TZMCWYRMSA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCCO2)C1 ZINC001046235754 797343566 /nfs/dbraw/zinc/34/35/66/797343566.db2.gz KHLWPHUHTUNROZ-TZMCWYRMSA-N 1 2 286.803 1.889 20 30 CDEDLO CC[C@H](F)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC001017424110 797395218 /nfs/dbraw/zinc/39/52/18/797395218.db2.gz ZTJXCDWWSHLSQP-ZDEQEGDKSA-N 1 2 267.348 1.569 20 30 CDEDLO CC[C@H](F)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC001017424110 797395226 /nfs/dbraw/zinc/39/52/26/797395226.db2.gz ZTJXCDWWSHLSQP-ZDEQEGDKSA-N 1 2 267.348 1.569 20 30 CDEDLO C#CC1(F)CN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000883213619 797509206 /nfs/dbraw/zinc/50/92/06/797509206.db2.gz MBTPNYVMDMRRER-UHFFFAOYSA-N 1 2 298.321 1.739 20 30 CDEDLO C#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCO1 ZINC000775340330 797537371 /nfs/dbraw/zinc/53/73/71/797537371.db2.gz LUHGUKQAUGGRRD-HZPDHXFCSA-N 1 2 295.342 1.783 20 30 CDEDLO C#C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000843967205 797557207 /nfs/dbraw/zinc/55/72/07/797557207.db2.gz JTRMCMQKAUCWAA-GOEBONIOSA-N 1 2 279.343 1.936 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC23CCCC3)C1 ZINC001035564345 797637034 /nfs/dbraw/zinc/63/70/34/797637034.db2.gz WAFXLKPHNJJYDC-UONOGXRCSA-N 1 2 278.396 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC23CCCC3)C1 ZINC001035564345 797637048 /nfs/dbraw/zinc/63/70/48/797637048.db2.gz WAFXLKPHNJJYDC-UONOGXRCSA-N 1 2 278.396 1.570 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(C)c2F)C1 ZINC001030354175 797686436 /nfs/dbraw/zinc/68/64/36/797686436.db2.gz PFVNVGUJLKSISS-UHFFFAOYSA-N 1 2 260.312 1.571 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cncnc3)[C@@H]2C1 ZINC001075713834 797717417 /nfs/dbraw/zinc/71/74/17/797717417.db2.gz NVQFAWFGJFVERB-WCQYABFASA-N 1 2 292.770 1.375 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cncnc3)[C@@H]2C1 ZINC001075713834 797717444 /nfs/dbraw/zinc/71/74/44/797717444.db2.gz NVQFAWFGJFVERB-WCQYABFASA-N 1 2 292.770 1.375 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccncn2)C1 ZINC001034447941 797744842 /nfs/dbraw/zinc/74/48/42/797744842.db2.gz MCHPLGXUBOSBSK-LBPRGKRZSA-N 1 2 294.786 1.813 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccncn2)C1 ZINC001034447941 797744849 /nfs/dbraw/zinc/74/48/49/797744849.db2.gz MCHPLGXUBOSBSK-LBPRGKRZSA-N 1 2 294.786 1.813 20 30 CDEDLO C=CC(C)(C)CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000879942158 797775684 /nfs/dbraw/zinc/77/56/84/797775684.db2.gz TYXUSDFFUMWJJR-KGLIPLIRSA-N 1 2 280.412 1.910 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cncc(OC(C)C)c1 ZINC001038592012 797801730 /nfs/dbraw/zinc/80/17/30/797801730.db2.gz INNQFFVSXGFIDQ-CQSZACIVSA-N 1 2 287.363 1.306 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncc(OC(C)C)c1 ZINC001038592012 797801731 /nfs/dbraw/zinc/80/17/31/797801731.db2.gz INNQFFVSXGFIDQ-CQSZACIVSA-N 1 2 287.363 1.306 20 30 CDEDLO Cc1c(C(=O)Nc2cc(C)[nH+]cc2C)cnn1CCC#N ZINC000889792536 797806096 /nfs/dbraw/zinc/80/60/96/797806096.db2.gz BPGKHRRMRGLCCL-UHFFFAOYSA-N 1 2 283.335 1.791 20 30 CDEDLO C#CCn1ccc(CN(CC)C(=O)CCCn2cc[nH+]c2)n1 ZINC000790108088 797823531 /nfs/dbraw/zinc/82/35/31/797823531.db2.gz SFFIQQAIKAZKST-UHFFFAOYSA-N 1 2 299.378 1.542 20 30 CDEDLO C[C@H](CC(=O)[C@H](C#N)C(=O)NC1CCCC1)n1cc[nH+]c1 ZINC000845452378 797836549 /nfs/dbraw/zinc/83/65/49/797836549.db2.gz UPSRQSUNZCCWOR-YPMHNXCESA-N 1 2 288.351 1.602 20 30 CDEDLO NC(=O)CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000060100304 797847638 /nfs/dbraw/zinc/84/76/38/797847638.db2.gz HYZIZUCWKHUIEX-UHFFFAOYSA-N 1 2 299.330 1.388 20 30 CDEDLO C=CCOCc1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1 ZINC000823397372 797856270 /nfs/dbraw/zinc/85/62/70/797856270.db2.gz LMILOKZMVPTOAZ-VIFPVBQESA-N 1 2 283.328 1.504 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@]2(C)CCO[C@H]2C)C1 ZINC001030727564 797856348 /nfs/dbraw/zinc/85/63/48/797856348.db2.gz XDINAPOJBVUVOT-FZMZJTMJSA-N 1 2 252.358 1.178 20 30 CDEDLO C#CCCN(CCOC)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000856392164 797859041 /nfs/dbraw/zinc/85/90/41/797859041.db2.gz INSXNRFJYUFGMH-CYBMUJFWSA-N 1 2 263.341 1.333 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(F)ccc(F)c1F ZINC001038638579 797866177 /nfs/dbraw/zinc/86/61/77/797866177.db2.gz JBMPCJLYOBRYOU-SNVBAGLBSA-N 1 2 296.292 1.931 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(F)ccc(F)c1F ZINC001038638579 797866178 /nfs/dbraw/zinc/86/61/78/797866178.db2.gz JBMPCJLYOBRYOU-SNVBAGLBSA-N 1 2 296.292 1.931 20 30 CDEDLO CC(C)(C)OC(=O)N1CC[N@H+](C[C@H](O)CC#N)C(C)(C)C1 ZINC000929779617 797867800 /nfs/dbraw/zinc/86/78/00/797867800.db2.gz CZCAGYMEBZMNPA-GFCCVEGCSA-N 1 2 297.399 1.592 20 30 CDEDLO CC(C)(C)OC(=O)N1CC[N@@H+](C[C@H](O)CC#N)C(C)(C)C1 ZINC000929779617 797867801 /nfs/dbraw/zinc/86/78/01/797867801.db2.gz CZCAGYMEBZMNPA-GFCCVEGCSA-N 1 2 297.399 1.592 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)(C)C)on1 ZINC001038500882 797891515 /nfs/dbraw/zinc/89/15/15/797891515.db2.gz FLCCTTWSAMCMKD-GFCCVEGCSA-N 1 2 289.379 1.800 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)(C)C)on1 ZINC001038500882 797891516 /nfs/dbraw/zinc/89/15/16/797891516.db2.gz FLCCTTWSAMCMKD-GFCCVEGCSA-N 1 2 289.379 1.800 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cn1 ZINC000857943548 797891811 /nfs/dbraw/zinc/89/18/11/797891811.db2.gz GCNHPTRBMPIFBB-ZDUSSCGKSA-N 1 2 266.304 1.004 20 30 CDEDLO Cc1ccn(C[N@H+]2CCSCC[C@@H]2C)c(=O)c1C#N ZINC000790480064 797892630 /nfs/dbraw/zinc/89/26/30/797892630.db2.gz XJBLMONKSHJVFB-LBPRGKRZSA-N 1 2 277.393 1.813 20 30 CDEDLO Cc1ccn(C[N@@H+]2CCSCC[C@@H]2C)c(=O)c1C#N ZINC000790480064 797892631 /nfs/dbraw/zinc/89/26/31/797892631.db2.gz XJBLMONKSHJVFB-LBPRGKRZSA-N 1 2 277.393 1.813 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2ncnn2C(C)C)CC1 ZINC000717439660 797895733 /nfs/dbraw/zinc/89/57/33/797895733.db2.gz CMQZCPIUYSHLBG-UHFFFAOYSA-N 1 2 264.373 1.762 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccsc1C ZINC001032665705 797897963 /nfs/dbraw/zinc/89/79/63/797897963.db2.gz AYEXLDQJOVRCBQ-KBPBESRZSA-N 1 2 274.389 1.517 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccsc1C ZINC001032665705 797897964 /nfs/dbraw/zinc/89/79/64/797897964.db2.gz AYEXLDQJOVRCBQ-KBPBESRZSA-N 1 2 274.389 1.517 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@H](OC)C2)C1 ZINC001043151185 797946971 /nfs/dbraw/zinc/94/69/71/797946971.db2.gz VUPATNWJZKQNSU-OCCSQVGLSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CC[N@@H+](CN1C[C@@H](CC)CC1=O)[C@@H](C)COC ZINC000853535577 798003298 /nfs/dbraw/zinc/00/32/98/798003298.db2.gz WMLQTRIZPPXMJM-STQMWFEESA-N 1 2 254.374 1.725 20 30 CDEDLO C=CC[N@H+](CN1C[C@@H](CC)CC1=O)[C@@H](C)COC ZINC000853535577 798003310 /nfs/dbraw/zinc/00/33/10/798003310.db2.gz WMLQTRIZPPXMJM-STQMWFEESA-N 1 2 254.374 1.725 20 30 CDEDLO C#CC[C@@H](CCOC)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000827723218 798029574 /nfs/dbraw/zinc/02/95/74/798029574.db2.gz HUCRGSCBMDOQFS-LBPRGKRZSA-N 1 2 271.320 1.721 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(CF)cc1 ZINC001039066412 798071544 /nfs/dbraw/zinc/07/15/44/798071544.db2.gz GXWSRQHAWWOMLW-CQSZACIVSA-N 1 2 260.312 1.593 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(CF)cc1 ZINC001039066412 798071554 /nfs/dbraw/zinc/07/15/54/798071554.db2.gz GXWSRQHAWWOMLW-CQSZACIVSA-N 1 2 260.312 1.593 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cnns1 ZINC001424914730 909748021 /nfs/dbraw/zinc/74/80/21/909748021.db2.gz SNPPKXVAIBSIAP-MRVPVSSYSA-N 1 2 274.777 1.341 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cnns1 ZINC001424914730 909748036 /nfs/dbraw/zinc/74/80/36/909748036.db2.gz SNPPKXVAIBSIAP-MRVPVSSYSA-N 1 2 274.777 1.341 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@]23CCO[C@@H]2CCCC3)C1 ZINC001030661860 912374705 /nfs/dbraw/zinc/37/47/05/912374705.db2.gz MLIYOWSJNNTJNM-GDBMZVCRSA-N 1 2 278.396 1.712 20 30 CDEDLO CC[N@H+](CCn1ccnc1)Cc1cc(C#N)ccc1O ZINC001232678352 912382677 /nfs/dbraw/zinc/38/26/77/912382677.db2.gz WEYBMFJXJWXRHX-UHFFFAOYSA-N 1 2 270.336 1.982 20 30 CDEDLO CC[N@@H+](CCn1ccnc1)Cc1cc(C#N)ccc1O ZINC001232678352 912382694 /nfs/dbraw/zinc/38/26/94/912382694.db2.gz WEYBMFJXJWXRHX-UHFFFAOYSA-N 1 2 270.336 1.982 20 30 CDEDLO C=CCOC1CCC([NH2+][C@@H](CC(=O)OC)C(=O)OC)CC1 ZINC001173311124 912405221 /nfs/dbraw/zinc/40/52/21/912405221.db2.gz FIJAEUODVKMAAB-BPCQOVAHSA-N 1 2 299.367 1.195 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2cc(C(C)C)on2)C1 ZINC001030755031 912680105 /nfs/dbraw/zinc/68/01/05/912680105.db2.gz MUUOEGOWYDXASU-UHFFFAOYSA-N 1 2 263.341 1.788 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3n[nH]cc32)C1 ZINC001030773417 912716023 /nfs/dbraw/zinc/71/60/23/912716023.db2.gz XYIPAODOKBRIBE-UHFFFAOYSA-N 1 2 268.320 1.000 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C2(c3cccnc3)CC2)C1 ZINC001030823469 912810220 /nfs/dbraw/zinc/81/02/20/912810220.db2.gz BEXLVXUOHMBVPE-UHFFFAOYSA-N 1 2 271.364 1.490 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCc3cccc(OC)c32)C1 ZINC001031069424 913543977 /nfs/dbraw/zinc/54/39/77/913543977.db2.gz OXWMLIMDYYFLMY-HNNXBMFYSA-N 1 2 298.386 1.549 20 30 CDEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cnco1 ZINC001015444573 913568205 /nfs/dbraw/zinc/56/82/05/913568205.db2.gz SUKVQEANGVPVBH-OAHLLOKOSA-N 1 2 295.342 1.530 20 30 CDEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cnco1 ZINC001015444573 913568216 /nfs/dbraw/zinc/56/82/16/913568216.db2.gz SUKVQEANGVPVBH-OAHLLOKOSA-N 1 2 295.342 1.530 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(OC(C)C)n2)C1 ZINC001031165293 913817710 /nfs/dbraw/zinc/81/77/10/913817710.db2.gz FBMIUKBLVGOVOQ-UHFFFAOYSA-N 1 2 287.363 1.306 20 30 CDEDLO N#CCc1cncc(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC001167125843 894657317 /nfs/dbraw/zinc/65/73/17/894657317.db2.gz HKDLSVQMYVMPFS-UHFFFAOYSA-N 1 2 268.324 1.581 20 30 CDEDLO Cc1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)s1 ZINC000971222180 895794917 /nfs/dbraw/zinc/79/49/17/895794917.db2.gz UFZNDCVYKZXFRU-ZYHUDNBSSA-N 1 2 292.408 1.644 20 30 CDEDLO Cc1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)s1 ZINC000971222180 895794930 /nfs/dbraw/zinc/79/49/30/895794930.db2.gz UFZNDCVYKZXFRU-ZYHUDNBSSA-N 1 2 292.408 1.644 20 30 CDEDLO Cc1nc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)oc1C ZINC000971219126 895795706 /nfs/dbraw/zinc/79/57/06/895795706.db2.gz WTMLNGGSTTUPGS-MFKMUULPSA-N 1 2 290.367 1.484 20 30 CDEDLO Cc1nc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)oc1C ZINC000971219126 895795721 /nfs/dbraw/zinc/79/57/21/895795721.db2.gz WTMLNGGSTTUPGS-MFKMUULPSA-N 1 2 290.367 1.484 20 30 CDEDLO N#CCN[C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001022505244 896530707 /nfs/dbraw/zinc/53/07/07/896530707.db2.gz CGSQRSZIBFGFDY-OKILXGFUSA-N 1 2 295.346 1.246 20 30 CDEDLO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001024486842 898079393 /nfs/dbraw/zinc/07/93/93/898079393.db2.gz JQFMRTUPFWRVIY-MGPQQGTHSA-N 1 2 286.379 1.117 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001024486842 898079404 /nfs/dbraw/zinc/07/94/04/898079404.db2.gz JQFMRTUPFWRVIY-MGPQQGTHSA-N 1 2 286.379 1.117 20 30 CDEDLO C#CCCCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177963717 898326615 /nfs/dbraw/zinc/32/66/15/898326615.db2.gz GIHMXYVEDGZMEY-UHFFFAOYSA-N 1 2 256.309 1.547 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1-c1cn[nH]c1 ZINC001038321747 898508038 /nfs/dbraw/zinc/50/80/38/898508038.db2.gz CVLMJOFJISYVLX-AWEZNQCLSA-N 1 2 294.358 1.514 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1-c1cn[nH]c1 ZINC001038321747 898508055 /nfs/dbraw/zinc/50/80/55/898508055.db2.gz CVLMJOFJISYVLX-AWEZNQCLSA-N 1 2 294.358 1.514 20 30 CDEDLO C[C@H](CCCCNCC#N)NC(=O)CCCn1cc[nH+]c1 ZINC001176810996 914272675 /nfs/dbraw/zinc/27/26/75/914272675.db2.gz URCSACWNRUSKQN-CQSZACIVSA-N 1 2 291.399 1.451 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3cnco3)CC2)cc1 ZINC001140932074 898908077 /nfs/dbraw/zinc/90/80/77/898908077.db2.gz ZLSMDHJGJRCJGF-UHFFFAOYSA-N 1 2 268.320 1.868 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCC(C)C)C[C@@H]21 ZINC001176913244 914389803 /nfs/dbraw/zinc/38/98/03/914389803.db2.gz RDKODCSLXYFDKP-HOTGVXAUSA-N 1 2 292.423 1.748 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCC(C)C)C[C@@H]21 ZINC001176913244 914389806 /nfs/dbraw/zinc/38/98/06/914389806.db2.gz RDKODCSLXYFDKP-HOTGVXAUSA-N 1 2 292.423 1.748 20 30 CDEDLO Cc1nc(N[C@H](CNC(=O)[C@@H](C)C#N)C(C)C)cc[nH+]1 ZINC001105137308 899932036 /nfs/dbraw/zinc/93/20/36/899932036.db2.gz CXPJZYLNZQTTJM-CMPLNLGQSA-N 1 2 275.356 1.497 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccnnc1C ZINC001028000497 901138303 /nfs/dbraw/zinc/13/83/03/901138303.db2.gz GMNBLMLUGSMJOY-GFCCVEGCSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnnc1C ZINC001028000497 901138307 /nfs/dbraw/zinc/13/83/07/901138307.db2.gz GMNBLMLUGSMJOY-GFCCVEGCSA-N 1 2 294.786 1.732 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2scnc2C)C1 ZINC001010297700 901257760 /nfs/dbraw/zinc/25/77/60/901257760.db2.gz MJKXBYRHGSWYSM-NSHDSACASA-N 1 2 263.366 1.279 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2scnc2C)C1 ZINC001010297700 901257770 /nfs/dbraw/zinc/25/77/70/901257770.db2.gz MJKXBYRHGSWYSM-NSHDSACASA-N 1 2 263.366 1.279 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(C2CCC2)n1 ZINC001038895321 901457129 /nfs/dbraw/zinc/45/71/29/901457129.db2.gz JYPUVVWIZPXPIL-GFCCVEGCSA-N 1 2 273.336 1.379 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(C2CCC2)n1 ZINC001038895321 901457137 /nfs/dbraw/zinc/45/71/37/901457137.db2.gz JYPUVVWIZPXPIL-GFCCVEGCSA-N 1 2 273.336 1.379 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001038928142 901548445 /nfs/dbraw/zinc/54/84/45/901548445.db2.gz KHWOEIZQLKIDKB-OWCLPIDISA-N 1 2 268.360 1.614 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001038928142 901548449 /nfs/dbraw/zinc/54/84/49/901548449.db2.gz KHWOEIZQLKIDKB-OWCLPIDISA-N 1 2 268.360 1.614 20 30 CDEDLO C=CCN1CC(NC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001031433097 914626720 /nfs/dbraw/zinc/62/67/20/914626720.db2.gz XEOPTUAZBHRTAY-UHFFFAOYSA-N 1 2 291.420 1.093 20 30 CDEDLO C=CCN1CC(NC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001031433097 914626726 /nfs/dbraw/zinc/62/67/26/914626726.db2.gz XEOPTUAZBHRTAY-UHFFFAOYSA-N 1 2 291.420 1.093 20 30 CDEDLO C=CCN(C(=O)N[C@@H](C)Cn1cc[nH+]c1)C(C)C ZINC000918070855 914643609 /nfs/dbraw/zinc/64/36/09/914643609.db2.gz CRPKORVNRMOKKH-LBPRGKRZSA-N 1 2 250.346 1.878 20 30 CDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cn[nH]c2)C1 ZINC001031559391 914728833 /nfs/dbraw/zinc/72/88/33/914728833.db2.gz JVULUPPPPMCMPT-UHFFFAOYSA-N 1 2 295.346 1.143 20 30 CDEDLO CC(=O)/C=C(/C)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177628543 914812489 /nfs/dbraw/zinc/81/24/89/914812489.db2.gz PCFGMDHLCCKHBX-RBJHHQRMSA-N 1 2 276.336 1.853 20 30 CDEDLO CC(=O)/C=C(/C)NC(=O)[C@H]1CCC[N@H+]1Cc1ccco1 ZINC001177628543 914812500 /nfs/dbraw/zinc/81/25/00/914812500.db2.gz PCFGMDHLCCKHBX-RBJHHQRMSA-N 1 2 276.336 1.853 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c(C)cccc2OC)CC1 ZINC001188795915 921182505 /nfs/dbraw/zinc/18/25/05/921182505.db2.gz IYUUOBYREWQCMM-UHFFFAOYSA-N 1 2 274.364 1.947 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC ZINC001029419836 905848012 /nfs/dbraw/zinc/84/80/12/905848012.db2.gz KXXGKENCXZADAH-BETUJISGSA-N 1 2 293.411 1.010 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC ZINC001029419836 905848026 /nfs/dbraw/zinc/84/80/26/905848026.db2.gz KXXGKENCXZADAH-BETUJISGSA-N 1 2 293.411 1.010 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[NH2+]Cc1cnsn1 ZINC001128241730 921222871 /nfs/dbraw/zinc/22/28/71/921222871.db2.gz CLIQKQCULBNUGE-UHFFFAOYSA-N 1 2 268.386 1.346 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nc(C(C)C)no1 ZINC001128404716 921295897 /nfs/dbraw/zinc/29/58/97/921295897.db2.gz BWTDRNXEOVFKDW-UHFFFAOYSA-N 1 2 280.372 1.755 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2coc(OC)n2)CC1 ZINC001003385745 921306203 /nfs/dbraw/zinc/30/62/03/921306203.db2.gz QNDWRPLUJOVFEI-UHFFFAOYSA-N 1 2 299.758 1.630 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2nc(C)cs2)C1=O ZINC001272989823 921322500 /nfs/dbraw/zinc/32/25/00/921322500.db2.gz AYLPDXSVFHWZMM-OAHLLOKOSA-N 1 2 289.404 1.652 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2nc(C)cs2)C1=O ZINC001272989823 921322505 /nfs/dbraw/zinc/32/25/05/921322505.db2.gz AYLPDXSVFHWZMM-OAHLLOKOSA-N 1 2 289.404 1.652 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)cc1 ZINC000783728444 907547522 /nfs/dbraw/zinc/54/75/22/907547522.db2.gz IEGXANZVKPNNPR-QWHCGFSZSA-N 1 2 287.363 1.640 20 30 CDEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)cc1 ZINC000783728444 907547536 /nfs/dbraw/zinc/54/75/36/907547536.db2.gz IEGXANZVKPNNPR-QWHCGFSZSA-N 1 2 287.363 1.640 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c(OC)cc[nH]c2=O)C1 ZINC001044192931 921363170 /nfs/dbraw/zinc/36/31/70/921363170.db2.gz NKLBRFZHXFYOIT-UHFFFAOYSA-N 1 2 291.351 1.128 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(OC)cc2)C1 ZINC001044220277 921386818 /nfs/dbraw/zinc/38/68/18/921386818.db2.gz GKHVVESXBBCYNI-UHFFFAOYSA-N 1 2 272.348 1.475 20 30 CDEDLO C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001092821043 909519134 /nfs/dbraw/zinc/51/91/34/909519134.db2.gz QHFGHJREDLWKRQ-CHWSQXEVSA-N 1 2 297.362 1.156 20 30 CDEDLO C=CCCC(=O)NCCCNc1[nH+]cnc2c1cnn2C ZINC001094327217 910501721 /nfs/dbraw/zinc/50/17/21/910501721.db2.gz JKXUASSRNBQMRG-UHFFFAOYSA-N 1 2 288.355 1.248 20 30 CDEDLO Cc1nc(NCCCNC(=O)Cc2[nH]cc[nH+]2)ccc1C#N ZINC001094550727 910673875 /nfs/dbraw/zinc/67/38/75/910673875.db2.gz MNBZBYFSJSLKAL-UHFFFAOYSA-N 1 2 298.350 1.146 20 30 CDEDLO CC(C)(C)OC(=O)N1C[C@@H]([NH+]2CC(CC#N)C2)CC1=O ZINC001171701777 910887962 /nfs/dbraw/zinc/88/79/62/910887962.db2.gz ORYORSWLWWRQKZ-NSHDSACASA-N 1 2 279.340 1.368 20 30 CDEDLO N#CCC[N@H+](Cc1cccnc1)[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172161023 911401020 /nfs/dbraw/zinc/40/10/20/911401020.db2.gz FYDSQOYPSORWKW-HZPDHXFCSA-N 1 2 298.390 1.951 20 30 CDEDLO N#CCC[N@@H+](Cc1cccnc1)[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172161023 911401025 /nfs/dbraw/zinc/40/10/25/911401025.db2.gz FYDSQOYPSORWKW-HZPDHXFCSA-N 1 2 298.390 1.951 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C(C)(C)[C@H]2CCCCO2)C1 ZINC001030327550 911686789 /nfs/dbraw/zinc/68/67/89/911686789.db2.gz WYZWHNIPUAQCLT-CQSZACIVSA-N 1 2 280.412 1.958 20 30 CDEDLO C=CC[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)OC)C1)C(=O)OC ZINC001172594615 911759306 /nfs/dbraw/zinc/75/93/06/911759306.db2.gz BQXJODDMNFONTM-UTUOFQBUSA-N 1 2 269.341 1.426 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ncnc3ccsc32)C1 ZINC001030411079 911776682 /nfs/dbraw/zinc/77/66/82/911776682.db2.gz GRUGXKVHNFEHMR-UHFFFAOYSA-N 1 2 288.376 1.681 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172712987 911911213 /nfs/dbraw/zinc/91/12/13/911911213.db2.gz CIGYMHVVKRQOJB-UONOGXRCSA-N 1 2 261.756 1.605 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCN(c3ccccc3)C2)C1 ZINC001030507046 911954779 /nfs/dbraw/zinc/95/47/79/911954779.db2.gz ZCMQONZDJXMICT-HNNXBMFYSA-N 1 2 297.402 1.337 20 30 CDEDLO C#CCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000170718476 912031208 /nfs/dbraw/zinc/03/12/08/912031208.db2.gz BPKIWOIJIMRGQE-UHFFFAOYSA-N 1 2 285.259 1.961 20 30 CDEDLO C=C[C@H](CC)CC(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001106066570 912135924 /nfs/dbraw/zinc/13/59/24/912135924.db2.gz HDESNCKPGMPKDJ-OLZOCXBDSA-N 1 2 292.383 1.276 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2cc(C)ccn2)CC1 ZINC001178265948 915342872 /nfs/dbraw/zinc/34/28/72/915342872.db2.gz NDFYJEVXCSDNBJ-UHFFFAOYSA-N 1 2 259.353 1.263 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1=COCCC1)CCO2 ZINC001053188079 936409325 /nfs/dbraw/zinc/40/93/25/936409325.db2.gz ZGWKJVWYLFPHJU-UHFFFAOYSA-N 1 2 292.379 1.170 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1CC=CC1)CCO2 ZINC001053197671 936410381 /nfs/dbraw/zinc/41/03/81/936410381.db2.gz SQWLBYZLCLRXOG-UHFFFAOYSA-N 1 2 276.380 1.442 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCC1(C)C)CCO2 ZINC001053386970 936412651 /nfs/dbraw/zinc/41/26/51/936412651.db2.gz QFSKPDSHVCFTTQ-AWEZNQCLSA-N 1 2 292.423 1.912 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1CC3(CC3)C1)CO2 ZINC001053921079 936423413 /nfs/dbraw/zinc/42/34/13/936423413.db2.gz ACDOEWKLJRRUSV-CQSZACIVSA-N 1 2 290.407 1.712 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C)no1)CO2 ZINC001053732651 936418737 /nfs/dbraw/zinc/41/87/37/936418737.db2.gz BMNKOXDZKNKFCL-LBPRGKRZSA-N 1 2 291.351 1.132 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)CC1CCC1)CO2 ZINC001053765093 936419732 /nfs/dbraw/zinc/41/97/32/936419732.db2.gz GHLCHPSRUCQIIK-AWEZNQCLSA-N 1 2 276.380 1.159 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1(C)CC1)CO2 ZINC001053810849 936421458 /nfs/dbraw/zinc/42/14/58/936421458.db2.gz DDQDMZJDJSECRC-LBPRGKRZSA-N 1 2 264.369 1.322 20 30 CDEDLO Cc1nc(N[C@H](C)CNC(=O)Cn2cc[nH+]c2)ccc1C#N ZINC001097920732 936426247 /nfs/dbraw/zinc/42/62/47/936426247.db2.gz AQSDVJLLAREQBB-LLVKDONJSA-N 1 2 298.350 1.075 20 30 CDEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCCC)nn2)C1 ZINC001107125942 918150890 /nfs/dbraw/zinc/15/08/90/918150890.db2.gz GVNHDBQGZRRDSA-UHFFFAOYSA-N 1 2 291.399 1.517 20 30 CDEDLO C=CC[NH+]1CC(n2cc(CNC(=O)/C(C)=C\CC)nn2)C1 ZINC001107140815 918203593 /nfs/dbraw/zinc/20/35/93/918203593.db2.gz WMNPICAYIFJFPY-SDQBBNPISA-N 1 2 289.383 1.293 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001182932819 918238675 /nfs/dbraw/zinc/23/86/75/918238675.db2.gz LDBPZGJTBPBNEU-GFCCVEGCSA-N 1 2 278.356 1.425 20 30 CDEDLO Cc1cccnc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N ZINC001032318870 918381542 /nfs/dbraw/zinc/38/15/42/918381542.db2.gz BCZUQOHXKCSTCV-RDBSUJKOSA-N 1 2 284.363 1.335 20 30 CDEDLO Cc1cccnc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N ZINC001032318870 918381556 /nfs/dbraw/zinc/38/15/56/918381556.db2.gz BCZUQOHXKCSTCV-RDBSUJKOSA-N 1 2 284.363 1.335 20 30 CDEDLO N#C[C@H](Cc1ccc(O)cc1)C(=O)NCCn1cc[nH+]c1 ZINC001183603855 918572497 /nfs/dbraw/zinc/57/24/97/918572497.db2.gz PFAQMGLWRIUENN-ZDUSSCGKSA-N 1 2 284.319 1.087 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(F)F)C1 ZINC001107683515 918612135 /nfs/dbraw/zinc/61/21/35/918612135.db2.gz NYSRTJOGYZEZLC-NSHDSACASA-N 1 2 262.300 1.035 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(F)F)C1 ZINC001107683515 918612141 /nfs/dbraw/zinc/61/21/41/918612141.db2.gz NYSRTJOGYZEZLC-NSHDSACASA-N 1 2 262.300 1.035 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccco2)C1 ZINC001107693851 918623873 /nfs/dbraw/zinc/62/38/73/918623873.db2.gz CCNYGHBUTQPTCW-AWEZNQCLSA-N 1 2 264.325 1.286 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccco2)C1 ZINC001107693851 918623881 /nfs/dbraw/zinc/62/38/81/918623881.db2.gz CCNYGHBUTQPTCW-AWEZNQCLSA-N 1 2 264.325 1.286 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2CCCCC2)C1 ZINC001107702553 918650511 /nfs/dbraw/zinc/65/05/11/918650511.db2.gz NOKLSFOABGELED-MRXNPFEDSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2CCCCC2)C1 ZINC001107702553 918650525 /nfs/dbraw/zinc/65/05/25/918650525.db2.gz NOKLSFOABGELED-MRXNPFEDSA-N 1 2 280.412 1.960 20 30 CDEDLO N#C[C@@H]1CCCCN1C(=O)CCc1ccc(N)[nH+]c1 ZINC001183934116 918748786 /nfs/dbraw/zinc/74/87/86/918748786.db2.gz XUXFZQUNDJMLMX-LBPRGKRZSA-N 1 2 258.325 1.501 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC001032440631 919131426 /nfs/dbraw/zinc/13/14/26/919131426.db2.gz MSGQBWBOCLEKKT-KBPBESRZSA-N 1 2 297.358 1.197 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC001032440631 919131439 /nfs/dbraw/zinc/13/14/39/919131439.db2.gz MSGQBWBOCLEKKT-KBPBESRZSA-N 1 2 297.358 1.197 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC(CC1)C2 ZINC001032478229 919194665 /nfs/dbraw/zinc/19/46/65/919194665.db2.gz CFHMBKRJUNPLOM-GWUWNPHMSA-N 1 2 272.392 1.875 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC(CC1)C2 ZINC001032478229 919194667 /nfs/dbraw/zinc/19/46/67/919194667.db2.gz CFHMBKRJUNPLOM-GWUWNPHMSA-N 1 2 272.392 1.875 20 30 CDEDLO Cc1nc(N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001057638946 936566515 /nfs/dbraw/zinc/56/65/15/936566515.db2.gz NQINRIHHSALFRP-CQSZACIVSA-N 1 2 284.363 1.601 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1COC ZINC001032496141 919242294 /nfs/dbraw/zinc/24/22/94/919242294.db2.gz OQBAGDFWRATNET-GJZGRUSLSA-N 1 2 284.359 1.365 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1COC ZINC001032496141 919242306 /nfs/dbraw/zinc/24/23/06/919242306.db2.gz OQBAGDFWRATNET-GJZGRUSLSA-N 1 2 284.359 1.365 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCC2(CC2)CC1 ZINC001032524895 919339478 /nfs/dbraw/zinc/33/94/78/919339478.db2.gz UXRYVHUSOKEAKZ-GJZGRUSLSA-N 1 2 272.392 1.875 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCC2(CC2)CC1 ZINC001032524895 919339494 /nfs/dbraw/zinc/33/94/94/919339494.db2.gz UXRYVHUSOKEAKZ-GJZGRUSLSA-N 1 2 272.392 1.875 20 30 CDEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C(C)(C)C)C2)CC1 ZINC001052109853 936576043 /nfs/dbraw/zinc/57/60/43/936576043.db2.gz IIKPRLIKDMAPFM-HNNXBMFYSA-N 1 2 293.455 1.827 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001139093480 936594668 /nfs/dbraw/zinc/59/46/68/936594668.db2.gz WYORKYPPWZJGPA-GFCCVEGCSA-N 1 2 268.324 1.602 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H](NCC#N)C3)ccn12 ZINC000999153237 919678125 /nfs/dbraw/zinc/67/81/25/919678125.db2.gz NOKFRBRHNIWGQK-CQSZACIVSA-N 1 2 297.362 1.361 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2scnc2c1 ZINC001032711480 919731948 /nfs/dbraw/zinc/73/19/48/919731948.db2.gz ZPVYVIBIAGKXDZ-STQMWFEESA-N 1 2 297.383 1.828 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2scnc2c1 ZINC001032711480 919731966 /nfs/dbraw/zinc/73/19/66/919731966.db2.gz ZPVYVIBIAGKXDZ-STQMWFEESA-N 1 2 297.383 1.828 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC2CC2)c1 ZINC001032719352 919780203 /nfs/dbraw/zinc/78/02/03/919780203.db2.gz DIVDEGKZLKSXOG-HOTGVXAUSA-N 1 2 298.390 1.215 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC2CC2)c1 ZINC001032719352 919780211 /nfs/dbraw/zinc/78/02/11/919780211.db2.gz DIVDEGKZLKSXOG-HOTGVXAUSA-N 1 2 298.390 1.215 20 30 CDEDLO C[N@H+](C1COC1)C1CN(Cc2cc(C#N)ccc2F)C1 ZINC001139651094 936634188 /nfs/dbraw/zinc/63/41/88/936634188.db2.gz AWEABKREKAISQA-UHFFFAOYSA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@@H+](C1COC1)C1CN(Cc2cc(C#N)ccc2F)C1 ZINC001139651094 936634189 /nfs/dbraw/zinc/63/41/89/936634189.db2.gz AWEABKREKAISQA-UHFFFAOYSA-N 1 2 275.327 1.212 20 30 CDEDLO COC[C@H]1COCC[N@@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139706807 936638348 /nfs/dbraw/zinc/63/83/48/936638348.db2.gz IPIRPKIFTDQSPG-AWEZNQCLSA-N 1 2 285.347 1.887 20 30 CDEDLO COC[C@H]1COCC[N@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139706807 936638349 /nfs/dbraw/zinc/63/83/49/936638349.db2.gz IPIRPKIFTDQSPG-AWEZNQCLSA-N 1 2 285.347 1.887 20 30 CDEDLO N#Cc1cccc2c(C[NH+]3CCN(C(N)=O)CC3)c[nH]c21 ZINC001139705758 936638512 /nfs/dbraw/zinc/63/85/12/936638512.db2.gz ZIEPNDCPXQRBGJ-UHFFFAOYSA-N 1 2 283.335 1.236 20 30 CDEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C(F)F)c2C1 ZINC001128153634 920293323 /nfs/dbraw/zinc/29/33/23/920293323.db2.gz NLQSJSWZPYRIIL-UHFFFAOYSA-N 1 2 284.310 1.156 20 30 CDEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C(F)F)c2C1 ZINC001128153634 920293330 /nfs/dbraw/zinc/29/33/30/920293330.db2.gz NLQSJSWZPYRIIL-UHFFFAOYSA-N 1 2 284.310 1.156 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C(F)(F)F)c[nH]2)CC1 ZINC001187697400 920612161 /nfs/dbraw/zinc/61/21/61/920612161.db2.gz SNGZLSGNTIUBRH-UHFFFAOYSA-N 1 2 287.285 1.977 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ncccc2O)CC[C@H]1C ZINC001071454455 936682213 /nfs/dbraw/zinc/68/22/13/936682213.db2.gz LVUIOAYDDBLXMG-NEPJUHHUSA-N 1 2 273.336 1.003 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ncccc2O)CC[C@H]1C ZINC001071454455 936682214 /nfs/dbraw/zinc/68/22/14/936682214.db2.gz LVUIOAYDDBLXMG-NEPJUHHUSA-N 1 2 273.336 1.003 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1nc2c(s1)CCC2)[C@H]1CCCO1 ZINC000775345983 921830851 /nfs/dbraw/zinc/83/08/51/921830851.db2.gz AOMBVXRJUCYAMT-ZYHUDNBSSA-N 1 2 262.378 1.902 20 30 CDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccncn2)CC1 ZINC001004581061 921912671 /nfs/dbraw/zinc/91/26/71/921912671.db2.gz GQWGIMATFBTQKX-OAHLLOKOSA-N 1 2 299.378 1.317 20 30 CDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccncn2)CC1 ZINC001004581061 921912681 /nfs/dbraw/zinc/91/26/81/921912681.db2.gz GQWGIMATFBTQKX-OAHLLOKOSA-N 1 2 299.378 1.317 20 30 CDEDLO C[C@@H]1C[N@H+](C2CN(Cc3ccc(C#N)nc3)C2)C[C@H](C)O1 ZINC001140547420 936723646 /nfs/dbraw/zinc/72/36/46/936723646.db2.gz SDRVIIXTKDNPOS-BETUJISGSA-N 1 2 286.379 1.247 20 30 CDEDLO C[C@@H]1C[N@@H+](C2CN(Cc3ccc(C#N)nc3)C2)C[C@H](C)O1 ZINC001140547420 936723648 /nfs/dbraw/zinc/72/36/48/936723648.db2.gz SDRVIIXTKDNPOS-BETUJISGSA-N 1 2 286.379 1.247 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3CCCC3)C[C@@H]21 ZINC001074141524 936733687 /nfs/dbraw/zinc/73/36/87/936733687.db2.gz ZDEAJBMUBHBEID-JKSUJKDBSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CCCC3)C[C@@H]21 ZINC001074141524 936733689 /nfs/dbraw/zinc/73/36/89/936733689.db2.gz ZDEAJBMUBHBEID-JKSUJKDBSA-N 1 2 290.407 1.502 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C3CC3)C[C@H]21 ZINC001074128802 936734119 /nfs/dbraw/zinc/73/41/19/936734119.db2.gz VWDBGTWQAJOMFJ-KGLIPLIRSA-N 1 2 264.369 1.274 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3CC3)C[C@H]21 ZINC001074128802 936734121 /nfs/dbraw/zinc/73/41/21/936734121.db2.gz VWDBGTWQAJOMFJ-KGLIPLIRSA-N 1 2 264.369 1.274 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C(/C)C3CC3)C[C@H]21 ZINC001074185112 936735286 /nfs/dbraw/zinc/73/52/86/936735286.db2.gz XHABKNOTYKGGMP-VEJWNLPXSA-N 1 2 290.407 1.830 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C(/C)C3CC3)C[C@H]21 ZINC001074185112 936735288 /nfs/dbraw/zinc/73/52/88/936735288.db2.gz XHABKNOTYKGGMP-VEJWNLPXSA-N 1 2 290.407 1.830 20 30 CDEDLO C=CCC1(S(=O)(=O)NC2CN(c3cccc[nH+]3)C2)CC1 ZINC001190836641 922238238 /nfs/dbraw/zinc/23/82/38/922238238.db2.gz XOBPHTUETXXZSN-UHFFFAOYSA-N 1 2 293.392 1.298 20 30 CDEDLO Cc1nc(NC[C@H]2CCN(C(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001098529588 936753429 /nfs/dbraw/zinc/75/34/29/936753429.db2.gz NZCBGBOKPUCWCD-CQSZACIVSA-N 1 2 286.379 1.705 20 30 CDEDLO C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)Nc1ccc(C#N)cn1 ZINC001098343795 936749405 /nfs/dbraw/zinc/74/94/05/936749405.db2.gz BVTWETAQQYMSAP-NSHDSACASA-N 1 2 298.350 1.226 20 30 CDEDLO C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)Nc1ccc(C#N)cn1 ZINC001098343795 936749407 /nfs/dbraw/zinc/74/94/07/936749407.db2.gz BVTWETAQQYMSAP-NSHDSACASA-N 1 2 298.350 1.226 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cn[nH]n2)C1 ZINC001033887632 922403197 /nfs/dbraw/zinc/40/31/97/922403197.db2.gz JVMZMVRRGHXMRJ-SNVBAGLBSA-N 1 2 283.763 1.094 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cn[nH]n2)C1 ZINC001033887632 922403205 /nfs/dbraw/zinc/40/32/05/922403205.db2.gz JVMZMVRRGHXMRJ-SNVBAGLBSA-N 1 2 283.763 1.094 20 30 CDEDLO Cc1nc(N[C@H](C)CCNC(=O)[C@H](C)C#N)cc[nH+]1 ZINC001098948485 936770204 /nfs/dbraw/zinc/77/02/04/936770204.db2.gz ZZFDEUZZUUPRTK-NXEZZACHSA-N 1 2 261.329 1.251 20 30 CDEDLO Cc1nc(N[C@H](C)CCNC(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001098955521 936770443 /nfs/dbraw/zinc/77/04/43/936770443.db2.gz ZZWRBWLSUUCNNT-SNVBAGLBSA-N 1 2 298.350 1.605 20 30 CDEDLO C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)Nc1ccc(C#N)cn1 ZINC001099404837 936788604 /nfs/dbraw/zinc/78/86/04/936788604.db2.gz KCMCAQAIZGNMHT-NSHDSACASA-N 1 2 298.350 1.226 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C#N)cc2OC)CC1 ZINC001192257575 922961985 /nfs/dbraw/zinc/96/19/85/922961985.db2.gz SXRIKYDONURLAZ-UHFFFAOYSA-N 1 2 285.347 1.511 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2Cc3ccccc32)C1 ZINC001035502386 922993374 /nfs/dbraw/zinc/99/33/74/922993374.db2.gz 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/nfs/dbraw/zinc/82/39/28/936823928.db2.gz QMGNLIYIPOHISR-UHFFFAOYSA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@@H+](C1COC1)C1CN(Cc2ccc(F)cc2C#N)C1 ZINC001141166486 936823930 /nfs/dbraw/zinc/82/39/30/936823930.db2.gz QMGNLIYIPOHISR-UHFFFAOYSA-N 1 2 275.327 1.212 20 30 CDEDLO C[C@@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)CC#N)CC1 ZINC001192960917 923340138 /nfs/dbraw/zinc/34/01/38/923340138.db2.gz GSIUYJGOKDUGGJ-ZDUSSCGKSA-N 1 2 293.392 1.219 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(OC)c(OC)cc2F)CC1 ZINC001141283281 936840258 /nfs/dbraw/zinc/84/02/58/936840258.db2.gz MVGVYUQCZSKDAP-UHFFFAOYSA-N 1 2 292.354 1.594 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(Br)[nH]2)CC1 ZINC001193335365 923615725 /nfs/dbraw/zinc/61/57/25/923615725.db2.gz YZIAOTSMSWBDJD-UHFFFAOYSA-N 1 2 298.184 1.721 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnc(C(F)(F)F)nc2)CC1 ZINC001141465034 936877302 /nfs/dbraw/zinc/87/73/02/936877302.db2.gz VGUGTGZOMBAVTD-UHFFFAOYSA-N 1 2 284.285 1.246 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2scnc2COC)C1 ZINC000923561801 923938590 /nfs/dbraw/zinc/93/85/90/923938590.db2.gz MLGMLUBSQGRVCK-LLVKDONJSA-N 1 2 293.392 1.117 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2scnc2COC)C1 ZINC000923561801 923938601 /nfs/dbraw/zinc/93/86/01/923938601.db2.gz MLGMLUBSQGRVCK-LLVKDONJSA-N 1 2 293.392 1.117 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2c(C)noc2C(C)C)C1 ZINC000923591734 923958629 /nfs/dbraw/zinc/95/86/29/923958629.db2.gz IWCBSOOIQVFWBI-CYBMUJFWSA-N 1 2 289.379 1.934 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)noc2C(C)C)C1 ZINC000923591734 923958641 /nfs/dbraw/zinc/95/86/41/923958641.db2.gz IWCBSOOIQVFWBI-CYBMUJFWSA-N 1 2 289.379 1.934 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N1CCC[N@H+](CCF)CC1 ZINC001195174545 924495482 /nfs/dbraw/zinc/49/54/82/924495482.db2.gz OTEJONXNOMZCAP-CYBMUJFWSA-N 1 2 272.364 1.471 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC001195174545 924495488 /nfs/dbraw/zinc/49/54/88/924495488.db2.gz OTEJONXNOMZCAP-CYBMUJFWSA-N 1 2 272.364 1.471 20 30 CDEDLO 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XXJHCPGAIFISBK-GFCCVEGCSA-N 1 2 299.168 1.106 20 30 CDEDLO CSc1nc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)ccc1C#N ZINC001141928895 936955371 /nfs/dbraw/zinc/95/53/71/936955371.db2.gz CCDDXEQGJAPPNI-RYUDHWBXSA-N 1 2 281.356 1.580 20 30 CDEDLO CSc1nc(C[N@H+]2CC[C@H](F)[C@@H](O)C2)ccc1C#N ZINC001141928895 936955374 /nfs/dbraw/zinc/95/53/74/936955374.db2.gz CCDDXEQGJAPPNI-RYUDHWBXSA-N 1 2 281.356 1.580 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)cccc2F)[C@H](OC)C1 ZINC001082397275 924913193 /nfs/dbraw/zinc/91/31/93/924913193.db2.gz QEYQKBCCBPMVTA-ZIAGYGMSSA-N 1 2 290.338 1.196 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)cccc2F)[C@H](OC)C1 ZINC001082397275 924913199 /nfs/dbraw/zinc/91/31/99/924913199.db2.gz QEYQKBCCBPMVTA-ZIAGYGMSSA-N 1 2 290.338 1.196 20 30 CDEDLO COCC#CC[N@@H+]1CCCN(C(=O)[C@@H](F)C(C)C)CC1 ZINC001196790720 924982368 /nfs/dbraw/zinc/98/23/68/924982368.db2.gz POMWKUZTAKFQRY-AWEZNQCLSA-N 1 2 284.375 1.165 20 30 CDEDLO COCC#CC[N@H+]1CCCN(C(=O)[C@@H](F)C(C)C)CC1 ZINC001196790720 924982372 /nfs/dbraw/zinc/98/23/72/924982372.db2.gz POMWKUZTAKFQRY-AWEZNQCLSA-N 1 2 284.375 1.165 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccs3)[C@H]2C1 ZINC001082986287 925060851 /nfs/dbraw/zinc/06/08/51/925060851.db2.gz UJVCONSTYYHLHL-NWDGAFQWSA-N 1 2 278.377 1.459 20 30 CDEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccs3)[C@H]2C1 ZINC001082986287 925060861 /nfs/dbraw/zinc/06/08/61/925060861.db2.gz UJVCONSTYYHLHL-NWDGAFQWSA-N 1 2 278.377 1.459 20 30 CDEDLO C#C[C@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)[C@H]1CCCO1 ZINC000775787909 925217978 /nfs/dbraw/zinc/21/79/78/925217978.db2.gz BPXZWJLDPIUUCH-UONOGXRCSA-N 1 2 286.379 1.761 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N1CCC[N@H+](CCF)CC1 ZINC001198342850 925400332 /nfs/dbraw/zinc/40/03/32/925400332.db2.gz BQPKHNJZHHEGIB-LBPRGKRZSA-N 1 2 258.337 1.081 20 30 CDEDLO C=CCO[C@@H](C)C(=O)N1CCC[N@@H+](CCF)CC1 ZINC001198342850 925400337 /nfs/dbraw/zinc/40/03/37/925400337.db2.gz BQPKHNJZHHEGIB-LBPRGKRZSA-N 1 2 258.337 1.081 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@](C)(CC)CCCCC)C1 ZINC001199217960 925641565 /nfs/dbraw/zinc/64/15/65/925641565.db2.gz VNFPMEXWAHRHMK-INMHGKMJSA-N 1 2 294.439 1.778 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@](C)(CC)CCCCC)C1 ZINC001199217960 925641566 /nfs/dbraw/zinc/64/15/66/925641566.db2.gz VNFPMEXWAHRHMK-INMHGKMJSA-N 1 2 294.439 1.778 20 30 CDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1nnc(C)o1 ZINC001273791832 925895379 /nfs/dbraw/zinc/89/53/79/925895379.db2.gz AMNRXXXQHNOZRM-CHWSQXEVSA-N 1 2 290.367 1.519 20 30 CDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1nnc(C)o1 ZINC001273791832 925895384 /nfs/dbraw/zinc/89/53/84/925895384.db2.gz AMNRXXXQHNOZRM-CHWSQXEVSA-N 1 2 290.367 1.519 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001203123845 937060610 /nfs/dbraw/zinc/06/06/10/937060610.db2.gz ASVUDNOPJRBZDP-CQSZACIVSA-N 1 2 290.367 1.662 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cnc(C)nc2)C1 ZINC001203123845 937060613 /nfs/dbraw/zinc/06/06/13/937060613.db2.gz ASVUDNOPJRBZDP-CQSZACIVSA-N 1 2 290.367 1.662 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(C)nc1C(F)F ZINC001085644995 926245652 /nfs/dbraw/zinc/24/56/52/926245652.db2.gz FSTNWDKHBLDVFG-JTQLQIEISA-N 1 2 296.321 1.137 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn(C)nc1C(F)F ZINC001085644995 926245657 /nfs/dbraw/zinc/24/56/57/926245657.db2.gz FSTNWDKHBLDVFG-JTQLQIEISA-N 1 2 296.321 1.137 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn2cc(C)ccc2n1 ZINC001085667189 926264414 /nfs/dbraw/zinc/26/44/14/926264414.db2.gz CJGBAYGDHWRTCV-CQSZACIVSA-N 1 2 296.374 1.422 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn2cc(C)ccc2n1 ZINC001085667189 926264421 /nfs/dbraw/zinc/26/44/21/926264421.db2.gz CJGBAYGDHWRTCV-CQSZACIVSA-N 1 2 296.374 1.422 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2ccccc2)CC1=NNS(C)(=O)=O ZINC000776188183 926303354 /nfs/dbraw/zinc/30/33/54/926303354.db2.gz WWORJTZLTHBXGG-GFCCVEGCSA-N 1 2 295.408 1.434 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2ccccc2)CC1=NNS(C)(=O)=O ZINC000776188183 926303362 /nfs/dbraw/zinc/30/33/62/926303362.db2.gz WWORJTZLTHBXGG-GFCCVEGCSA-N 1 2 295.408 1.434 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nc(C)ncc1Cl ZINC001085853694 926457223 /nfs/dbraw/zinc/45/72/23/926457223.db2.gz FEJXEKNREYGPNP-LLVKDONJSA-N 1 2 292.770 1.218 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nc(C)ncc1Cl ZINC001085853694 926457226 /nfs/dbraw/zinc/45/72/26/926457226.db2.gz FEJXEKNREYGPNP-LLVKDONJSA-N 1 2 292.770 1.218 20 30 CDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001085865102 926466381 /nfs/dbraw/zinc/46/63/81/926466381.db2.gz UAVVDCDIDNDOBX-ILXRZTDVSA-N 1 2 298.402 1.860 20 30 CDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001085865102 926466387 /nfs/dbraw/zinc/46/63/87/926466387.db2.gz UAVVDCDIDNDOBX-ILXRZTDVSA-N 1 2 298.402 1.860 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1coc(C2CCC2)n1 ZINC001085915550 926504442 /nfs/dbraw/zinc/50/44/42/926504442.db2.gz DCZQKNPTLPYSBB-ZDUSSCGKSA-N 1 2 287.363 1.722 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1coc(C2CCC2)n1 ZINC001085915550 926504449 /nfs/dbraw/zinc/50/44/49/926504449.db2.gz DCZQKNPTLPYSBB-ZDUSSCGKSA-N 1 2 287.363 1.722 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2nc(C)ccc2o1 ZINC001085938172 926525063 /nfs/dbraw/zinc/52/50/63/926525063.db2.gz ZLCOJLPTTOUEKO-CYBMUJFWSA-N 1 2 297.358 1.916 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2nc(C)ccc2o1 ZINC001085938172 926525072 /nfs/dbraw/zinc/52/50/72/926525072.db2.gz ZLCOJLPTTOUEKO-CYBMUJFWSA-N 1 2 297.358 1.916 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(CF)CCC2)C1 ZINC001108224160 926532408 /nfs/dbraw/zinc/53/24/08/926532408.db2.gz KPVBAAGFHFPMIO-AWEZNQCLSA-N 1 2 284.375 1.519 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(CF)CCC2)C1 ZINC001108224160 926532415 /nfs/dbraw/zinc/53/24/15/926532415.db2.gz KPVBAAGFHFPMIO-AWEZNQCLSA-N 1 2 284.375 1.519 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(C)nc1C1CC1 ZINC001085952403 926537459 /nfs/dbraw/zinc/53/74/59/926537459.db2.gz AYRQWNGWEVHUHY-CQSZACIVSA-N 1 2 298.390 1.442 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(C)nc1C1CC1 ZINC001085952403 926537467 /nfs/dbraw/zinc/53/74/67/926537467.db2.gz AYRQWNGWEVHUHY-CQSZACIVSA-N 1 2 298.390 1.442 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001086008523 926597939 /nfs/dbraw/zinc/59/79/39/926597939.db2.gz UBFMLQMWTLYDKV-JKSUJKDBSA-N 1 2 298.386 1.464 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001086008523 926597944 /nfs/dbraw/zinc/59/79/44/926597944.db2.gz UBFMLQMWTLYDKV-JKSUJKDBSA-N 1 2 298.386 1.464 20 30 CDEDLO CC[C@@H](CNC(=O)C#CC(C)C)Nc1cc[nH+]c(C)n1 ZINC001103081879 937121077 /nfs/dbraw/zinc/12/10/77/937121077.db2.gz WLVTYEHKQZMJIZ-ZDUSSCGKSA-N 1 2 274.368 1.751 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2ccc(C(=O)NC)cc2)nn1 ZINC000850025893 927359855 /nfs/dbraw/zinc/35/98/55/927359855.db2.gz MJFLIQUPSNODAC-UHFFFAOYSA-N 1 2 299.378 1.504 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2c[nH]cc2C)C1 ZINC001108396463 927466112 /nfs/dbraw/zinc/46/61/12/927466112.db2.gz AOQVSVGBKXTVMR-INIZCTEOSA-N 1 2 289.379 1.167 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2c[nH]cc2C)C1 ZINC001108396463 927466120 /nfs/dbraw/zinc/46/61/20/927466120.db2.gz AOQVSVGBKXTVMR-INIZCTEOSA-N 1 2 289.379 1.167 20 30 CDEDLO C#CCOCC[N@H+](CCc1ccccc1)CC(=O)OC ZINC000851910973 927657592 /nfs/dbraw/zinc/65/75/92/927657592.db2.gz SBKPKHDXLAAAAV-UHFFFAOYSA-N 1 2 275.348 1.354 20 30 CDEDLO C#CCOCC[N@@H+](CCc1ccccc1)CC(=O)OC ZINC000851910973 927657601 /nfs/dbraw/zinc/65/76/01/927657601.db2.gz SBKPKHDXLAAAAV-UHFFFAOYSA-N 1 2 275.348 1.354 20 30 CDEDLO C#CCOCC[N@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000852171184 927730665 /nfs/dbraw/zinc/73/06/65/927730665.db2.gz ATJRILZWDAKWMF-GFCCVEGCSA-N 1 2 267.369 1.831 20 30 CDEDLO C#CCOCC[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000852171184 927730656 /nfs/dbraw/zinc/73/06/56/927730656.db2.gz ATJRILZWDAKWMF-GFCCVEGCSA-N 1 2 267.369 1.831 20 30 CDEDLO C[C@H](C#N)OCC[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000852343118 927774145 /nfs/dbraw/zinc/77/41/45/927774145.db2.gz QKIKVHVOAFDDLY-GFCCVEGCSA-N 1 2 290.392 1.670 20 30 CDEDLO Cc1[nH+]cc(C=NN[C@H]2CCOC(C)(C)C2)n1C ZINC000853336179 928003464 /nfs/dbraw/zinc/00/34/64/928003464.db2.gz QRTLQYGLKDJUCV-NSHDSACASA-N 1 2 250.346 1.610 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000854040957 928143945 /nfs/dbraw/zinc/14/39/45/928143945.db2.gz VSRKLZMTJDQNPN-TZMCWYRMSA-N 1 2 271.364 1.602 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000854040957 928143953 /nfs/dbraw/zinc/14/39/53/928143953.db2.gz VSRKLZMTJDQNPN-TZMCWYRMSA-N 1 2 271.364 1.602 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH2+][C@H]1CCCN(C(C)=O)C1)[C@@H](C)CC ZINC001169577085 928196864 /nfs/dbraw/zinc/19/68/64/928196864.db2.gz NAIDPHMAPBDDEQ-QEJZJMRPSA-N 1 2 296.411 1.731 20 30 CDEDLO C#C[C@](C)(CC)Nc1[nH+]cnc2[nH]cc([S@@](C)=O)c21 ZINC001169690568 928336492 /nfs/dbraw/zinc/33/64/92/928336492.db2.gz XFBCXOYMXMBYHA-BFUOFWGJSA-N 1 2 276.365 1.909 20 30 CDEDLO C=CCN(C(=O)c1cccc2[nH+]ccn21)[C@H](C)COC ZINC000855372525 928402436 /nfs/dbraw/zinc/40/24/36/928402436.db2.gz ZODZKZKHIRZQFA-GFCCVEGCSA-N 1 2 273.336 1.997 20 30 CDEDLO C=C[C@@H](CO)Nc1[nH+]cccc1CCC(=O)OCC ZINC001169779695 928430698 /nfs/dbraw/zinc/43/06/98/928430698.db2.gz SWMDCJJJSOVJQA-LBPRGKRZSA-N 1 2 264.325 1.536 20 30 CDEDLO C#CC[N@@H+](CCS(=O)(=O)NC)[C@@H]1CCc2ccccc21 ZINC000856722093 928618769 /nfs/dbraw/zinc/61/87/69/928618769.db2.gz MTZDMUSDNGEMHY-OAHLLOKOSA-N 1 2 292.404 1.158 20 30 CDEDLO C#CC[N@H+](CCS(=O)(=O)NC)[C@@H]1CCc2ccccc21 ZINC000856722093 928618773 /nfs/dbraw/zinc/61/87/73/928618773.db2.gz MTZDMUSDNGEMHY-OAHLLOKOSA-N 1 2 292.404 1.158 20 30 CDEDLO C=CCOC[C@H](O)C[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC001252486036 928655047 /nfs/dbraw/zinc/65/50/47/928655047.db2.gz RJPGIXXWMSZYFQ-CHWSQXEVSA-N 1 2 287.400 1.506 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC)C2 ZINC001108944009 928738255 /nfs/dbraw/zinc/73/82/55/928738255.db2.gz IQFVOHFUZSIWFB-MQYQWHSLSA-N 1 2 293.411 1.056 20 30 CDEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC)C2 ZINC001108944009 928738262 /nfs/dbraw/zinc/73/82/62/928738262.db2.gz IQFVOHFUZSIWFB-MQYQWHSLSA-N 1 2 293.411 1.056 20 30 CDEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001109313920 928879671 /nfs/dbraw/zinc/87/96/71/928879671.db2.gz XGFVSBNTWJNJQI-RCWTZXSCSA-N 1 2 292.276 1.632 20 30 CDEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001109313920 928879679 /nfs/dbraw/zinc/87/96/79/928879679.db2.gz XGFVSBNTWJNJQI-RCWTZXSCSA-N 1 2 292.276 1.632 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ocnc2C(F)F)CC1 ZINC000859003627 928949237 /nfs/dbraw/zinc/94/92/37/928949237.db2.gz RVMHXFNOAPMNQO-UHFFFAOYSA-N 1 2 283.278 1.393 20 30 CDEDLO C=CCCC(=O)N1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC001112687967 929329387 /nfs/dbraw/zinc/32/93/87/929329387.db2.gz ANELBVPAMNSTAO-GFCCVEGCSA-N 1 2 288.338 1.521 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2cncc(C)c2)CC1 ZINC001112739734 929374542 /nfs/dbraw/zinc/37/45/42/929374542.db2.gz KXMGTUMXJQIZAM-UHFFFAOYSA-N 1 2 289.379 1.350 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](CF)C2)c(C#N)c1C ZINC000880295214 929646716 /nfs/dbraw/zinc/64/67/16/929646716.db2.gz JDKHUPNRGQAPTM-NSHDSACASA-N 1 2 279.315 1.998 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](CF)C2)c(C#N)c1C ZINC000880295214 929646719 /nfs/dbraw/zinc/64/67/19/929646719.db2.gz JDKHUPNRGQAPTM-NSHDSACASA-N 1 2 279.315 1.998 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)C2CC2)CC1 ZINC000798616970 937362602 /nfs/dbraw/zinc/36/26/02/937362602.db2.gz SDFALIIFULCJOP-NSHDSACASA-N 1 2 263.337 1.242 20 30 CDEDLO C=C[C@](C)(O)c1cn(Cc2[nH+]ccn2CC(F)F)nn1 ZINC000881361951 929826175 /nfs/dbraw/zinc/82/61/75/929826175.db2.gz HKQJBRQAXPUKKX-LBPRGKRZSA-N 1 2 283.282 1.182 20 30 CDEDLO C=C(C)C[C@@H](NC(=O)CCn1cc[nH+]c1)C(=O)OCC ZINC000881750817 929894775 /nfs/dbraw/zinc/89/47/75/929894775.db2.gz BFRMXKSKZNJJSR-GFCCVEGCSA-N 1 2 279.340 1.287 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001115650905 937408671 /nfs/dbraw/zinc/40/86/71/937408671.db2.gz JKRWWLLWKLPDFG-NSHDSACASA-N 1 2 278.356 1.246 20 30 CDEDLO N#Cc1ccccc1Cn1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000883991890 930372864 /nfs/dbraw/zinc/37/28/64/930372864.db2.gz UJSWTZFKLIGLIR-UHFFFAOYSA-N 1 2 297.362 1.155 20 30 CDEDLO Cc1nc(N[C@@H](C)CN(C)C(=O)C#CC(C)C)cc[nH+]1 ZINC001115716707 937415694 /nfs/dbraw/zinc/41/56/94/937415694.db2.gz XFRTXERAJRIKFE-LBPRGKRZSA-N 1 2 274.368 1.703 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc3ccccc3nc2OC)CC1 ZINC001137206699 930507083 /nfs/dbraw/zinc/50/70/83/930507083.db2.gz FMZLLTOOUAMVPX-UHFFFAOYSA-N 1 2 295.386 1.994 20 30 CDEDLO C#CCN1CC[NH+](Cc2cc3ccccc3nc2OC)CC1 ZINC001137206699 930507087 /nfs/dbraw/zinc/50/70/87/930507087.db2.gz FMZLLTOOUAMVPX-UHFFFAOYSA-N 1 2 295.386 1.994 20 30 CDEDLO CC[N@H+](Cc1nonc1C)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153232531 937430811 /nfs/dbraw/zinc/43/08/11/937430811.db2.gz GSTAGVCKUNYMNR-LLVKDONJSA-N 1 2 290.367 1.118 20 30 CDEDLO CC[N@@H+](Cc1nonc1C)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153232531 937430812 /nfs/dbraw/zinc/43/08/12/937430812.db2.gz GSTAGVCKUNYMNR-LLVKDONJSA-N 1 2 290.367 1.118 20 30 CDEDLO C=CCC1(O)CC[NH+](Cn2cc(C(=O)OCC)cn2)CC1 ZINC000884479743 930579884 /nfs/dbraw/zinc/57/98/84/930579884.db2.gz QMCQWYWKCIFYSF-UHFFFAOYSA-N 1 2 293.367 1.420 20 30 CDEDLO C#CC[C@H]1CCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000884593270 930603076 /nfs/dbraw/zinc/60/30/76/930603076.db2.gz GQIGFKAFRINGTB-ZDUSSCGKSA-N 1 2 256.353 1.926 20 30 CDEDLO C#CC[C@H]1CCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000884593270 930603084 /nfs/dbraw/zinc/60/30/84/930603084.db2.gz GQIGFKAFRINGTB-ZDUSSCGKSA-N 1 2 256.353 1.926 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)[C@@H](C)CCC)C1 ZINC000885512222 930731888 /nfs/dbraw/zinc/73/18/88/930731888.db2.gz UIEJXOPTCRXGTE-STQMWFEESA-N 1 2 272.414 1.192 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)[C@@H](C)CCC)C1 ZINC000885512222 930731894 /nfs/dbraw/zinc/73/18/94/930731894.db2.gz UIEJXOPTCRXGTE-STQMWFEESA-N 1 2 272.414 1.192 20 30 CDEDLO CC(C)(C)S(=O)(=O)CC[NH2+]C[C@@H](C#N)CCC#N ZINC000819060285 930751305 /nfs/dbraw/zinc/75/13/05/930751305.db2.gz HMNPMPUTTSBUBP-LLVKDONJSA-N 1 2 271.386 1.233 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=CCOCC1)C2 ZINC001095344151 930932019 /nfs/dbraw/zinc/93/20/19/930932019.db2.gz KGMDNCGCNMTDMF-RDBSUJKOSA-N 1 2 296.798 1.807 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=CCOCC1)C2 ZINC001095344151 930932024 /nfs/dbraw/zinc/93/20/24/930932024.db2.gz KGMDNCGCNMTDMF-RDBSUJKOSA-N 1 2 296.798 1.807 20 30 CDEDLO C#CCC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCC1 ZINC000886790304 930962131 /nfs/dbraw/zinc/96/21/31/930962131.db2.gz ZPFQHAQWUQDEAW-GFCCVEGCSA-N 1 2 257.337 1.508 20 30 CDEDLO CC[N@@H+](CCC#N)CCOc1ccccc1-c1nn[nH]n1 ZINC000821207759 931021611 /nfs/dbraw/zinc/02/16/11/931021611.db2.gz UOMNGNKUGXSTPL-UHFFFAOYSA-N 1 2 286.339 1.481 20 30 CDEDLO CC[N@H+](CCC#N)CCOc1ccccc1-c1nn[nH]n1 ZINC000821207759 931021618 /nfs/dbraw/zinc/02/16/18/931021618.db2.gz UOMNGNKUGXSTPL-UHFFFAOYSA-N 1 2 286.339 1.481 20 30 CDEDLO C=C1CCC(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000890296966 931053330 /nfs/dbraw/zinc/05/33/30/931053330.db2.gz BXUSSEBSRXNDFI-AWEZNQCLSA-N 1 2 280.412 1.912 20 30 CDEDLO N#CCCC[NH+]1CC2(C1)COCC(=O)N2CC1CCCC1 ZINC001274040239 931139413 /nfs/dbraw/zinc/13/94/13/931139413.db2.gz JLEUMAMTMBFRRR-UHFFFAOYSA-N 1 2 291.395 1.394 20 30 CDEDLO COC(=O)c1ccc(C(=[NH2+])Nc2ccc3nncn3c2)cc1 ZINC001170984735 931147294 /nfs/dbraw/zinc/14/72/94/931147294.db2.gz FOUFQPLOZNAZOX-UHFFFAOYSA-N 1 2 295.302 1.553 20 30 CDEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cnc[nH]1)C2 ZINC001136869911 931428092 /nfs/dbraw/zinc/42/80/92/931428092.db2.gz BQCUCJUWSPZQMT-HUUCEWRRSA-N 1 2 277.368 1.736 20 30 CDEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cnc[nH]1)C2 ZINC001136869911 931428099 /nfs/dbraw/zinc/42/80/99/931428099.db2.gz BQCUCJUWSPZQMT-HUUCEWRRSA-N 1 2 277.368 1.736 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C3CC3)C2)nc1 ZINC001144166833 931686166 /nfs/dbraw/zinc/68/61/66/931686166.db2.gz YIMWHSQRVWTCOE-OAHLLOKOSA-N 1 2 284.363 1.444 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CC3)C2)nc1 ZINC001144166833 931686169 /nfs/dbraw/zinc/68/61/69/931686169.db2.gz YIMWHSQRVWTCOE-OAHLLOKOSA-N 1 2 284.363 1.444 20 30 CDEDLO C[N@@H+]1CCC12CN(C(=O)c1cccc(C#N)c1F)C2 ZINC001275659758 931937177 /nfs/dbraw/zinc/93/71/77/931937177.db2.gz FHUCAXJQMAJXHT-UHFFFAOYSA-N 1 2 259.284 1.227 20 30 CDEDLO C[N@H+]1CCC12CN(C(=O)c1cccc(C#N)c1F)C2 ZINC001275659758 931937181 /nfs/dbraw/zinc/93/71/81/931937181.db2.gz FHUCAXJQMAJXHT-UHFFFAOYSA-N 1 2 259.284 1.227 20 30 CDEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCN(C)C(=O)C1 ZINC001171204293 931951467 /nfs/dbraw/zinc/95/14/67/931951467.db2.gz VHJXMRRZPGDZGR-GFCCVEGCSA-N 1 2 257.337 1.263 20 30 CDEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCN(C)C(=O)C1 ZINC001171204293 931951470 /nfs/dbraw/zinc/95/14/70/931951470.db2.gz VHJXMRRZPGDZGR-GFCCVEGCSA-N 1 2 257.337 1.263 20 30 CDEDLO CC(=O)[C@H]1C[N@H+]([C@@H](C)Cc2cccc(C#N)c2)CCO1 ZINC001171231019 932062098 /nfs/dbraw/zinc/06/20/98/932062098.db2.gz GQDYOJAHBRLBRG-BLLLJJGKSA-N 1 2 272.348 1.779 20 30 CDEDLO CC(=O)[C@H]1C[N@@H+]([C@@H](C)Cc2cccc(C#N)c2)CCO1 ZINC001171231019 932062103 /nfs/dbraw/zinc/06/21/03/932062103.db2.gz GQDYOJAHBRLBRG-BLLLJJGKSA-N 1 2 272.348 1.779 20 30 CDEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1cc(N)cc(C(F)(F)F)[nH+]1 ZINC001171363939 932869057 /nfs/dbraw/zinc/86/90/57/932869057.db2.gz QNQDXPTXJQDTSL-CDUCUWFYSA-N 1 2 290.245 1.331 20 30 CDEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1cccc(-c2c[nH+]cn2C)c1 ZINC001171368537 932886840 /nfs/dbraw/zinc/88/68/40/932886840.db2.gz IKQNQLOVZVUIMG-HZMBPMFUSA-N 1 2 286.335 1.735 20 30 CDEDLO COCC#CC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001118571078 937641733 /nfs/dbraw/zinc/64/17/33/937641733.db2.gz ZEGDYHUEHOJNGK-UHFFFAOYSA-N 1 2 288.347 1.107 20 30 CDEDLO CO[C@@H](C)c1noc(CO[NH+]=C(N)Cc2cccnc2)n1 ZINC000092914147 934902329 /nfs/dbraw/zinc/90/23/29/934902329.db2.gz DLPULBYYRRYSFT-VIFPVBQESA-N 1 2 291.311 1.204 20 30 CDEDLO Cc1nc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@H](C)C#N)co1 ZINC000960501551 935172282 /nfs/dbraw/zinc/17/22/82/935172282.db2.gz KRKNNPUXTZVKKY-BXUZGUMPSA-N 1 2 290.367 1.566 20 30 CDEDLO Cc1nc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@H](C)C#N)co1 ZINC000960501551 935172285 /nfs/dbraw/zinc/17/22/85/935172285.db2.gz KRKNNPUXTZVKKY-BXUZGUMPSA-N 1 2 290.367 1.566 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccon1 ZINC000960501062 935172393 /nfs/dbraw/zinc/17/23/93/935172393.db2.gz ICOFKOILXZQYSL-WCQYABFASA-N 1 2 276.340 1.257 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccon1 ZINC000960501062 935172396 /nfs/dbraw/zinc/17/23/96/935172396.db2.gz ICOFKOILXZQYSL-WCQYABFASA-N 1 2 276.340 1.257 20 30 CDEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(F)(F)CC1)C1CC1 ZINC000796540067 935339149 /nfs/dbraw/zinc/33/91/49/935339149.db2.gz GDJNESJCAMQPOC-GFCCVEGCSA-N 1 2 271.311 1.526 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnoc2CC)C1 ZINC001008720789 935411665 /nfs/dbraw/zinc/41/16/65/935411665.db2.gz MUMOXTAXCKTNTF-LLVKDONJSA-N 1 2 261.325 1.064 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnoc2CC)C1 ZINC001008720789 935411667 /nfs/dbraw/zinc/41/16/67/935411667.db2.gz MUMOXTAXCKTNTF-LLVKDONJSA-N 1 2 261.325 1.064 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2CCC)C1 ZINC001015049556 935557314 /nfs/dbraw/zinc/55/73/14/935557314.db2.gz MEFSYYYOVWHBOR-NSHDSACASA-N 1 2 296.802 1.919 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2CCC)C1 ZINC001015049556 935557316 /nfs/dbraw/zinc/55/73/16/935557316.db2.gz MEFSYYYOVWHBOR-NSHDSACASA-N 1 2 296.802 1.919 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2csc(C)n2)C1 ZINC001016192687 935605600 /nfs/dbraw/zinc/60/56/00/935605600.db2.gz OCDAFYRRPONMTR-LLVKDONJSA-N 1 2 299.827 1.937 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2csc(C)n2)C1 ZINC001016192687 935605601 /nfs/dbraw/zinc/60/56/01/935605601.db2.gz OCDAFYRRPONMTR-LLVKDONJSA-N 1 2 299.827 1.937 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2cn[nH]c21 ZINC001017554953 935642881 /nfs/dbraw/zinc/64/28/81/935642881.db2.gz GLOQCCBCJUZLQS-ZNMIVQPWSA-N 1 2 298.390 1.138 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2cn[nH]c21 ZINC001017554953 935642882 /nfs/dbraw/zinc/64/28/82/935642882.db2.gz GLOQCCBCJUZLQS-ZNMIVQPWSA-N 1 2 298.390 1.138 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1CC ZINC001017691028 935646803 /nfs/dbraw/zinc/64/68/03/935646803.db2.gz NEMDZOIMDTWSOE-IYBDPMFKSA-N 1 2 297.402 1.956 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1CC ZINC001017691028 935646806 /nfs/dbraw/zinc/64/68/06/935646806.db2.gz NEMDZOIMDTWSOE-IYBDPMFKSA-N 1 2 297.402 1.956 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cncc(C)c1 ZINC001017726058 935647603 /nfs/dbraw/zinc/64/76/03/935647603.db2.gz OAJSXFMPUCFOHT-CALCHBBNSA-N 1 2 297.402 1.631 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cncc(C)c1 ZINC001017726058 935647607 /nfs/dbraw/zinc/64/76/07/935647607.db2.gz OAJSXFMPUCFOHT-CALCHBBNSA-N 1 2 297.402 1.631 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)C(C)C ZINC001017898264 935654483 /nfs/dbraw/zinc/65/44/83/935654483.db2.gz YLWAQRDSRDVKMY-QLFBSQMISA-N 1 2 278.396 1.356 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)C(C)C ZINC001017898264 935654488 /nfs/dbraw/zinc/65/44/88/935654488.db2.gz YLWAQRDSRDVKMY-QLFBSQMISA-N 1 2 278.396 1.356 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(OCC)c1 ZINC001017925134 935655234 /nfs/dbraw/zinc/65/52/34/935655234.db2.gz LIDHDVKPXYKGRF-GASCZTMLSA-N 1 2 299.374 1.402 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(OCC)c1 ZINC001017925134 935655236 /nfs/dbraw/zinc/65/52/36/935655236.db2.gz LIDHDVKPXYKGRF-GASCZTMLSA-N 1 2 299.374 1.402 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C2CC2)n[nH]1 ZINC001017990932 935656686 /nfs/dbraw/zinc/65/66/86/935656686.db2.gz JRVUWRAHJUFCCO-BETUJISGSA-N 1 2 284.363 1.209 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C2CC2)n[nH]1 ZINC001017990932 935656689 /nfs/dbraw/zinc/65/66/89/935656689.db2.gz JRVUWRAHJUFCCO-BETUJISGSA-N 1 2 284.363 1.209 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1F ZINC001018101129 935660141 /nfs/dbraw/zinc/66/01/41/935660141.db2.gz AXYMSJRWAWWSBI-BETUJISGSA-N 1 2 287.338 1.533 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1F ZINC001018101129 935660143 /nfs/dbraw/zinc/66/01/43/935660143.db2.gz AXYMSJRWAWWSBI-BETUJISGSA-N 1 2 287.338 1.533 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2n[nH]cc2c1 ZINC001038640657 935711540 /nfs/dbraw/zinc/71/15/40/935711540.db2.gz VAGXGDBYYJRZEQ-ZDUSSCGKSA-N 1 2 268.320 1.000 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2n[nH]cc2c1 ZINC001038640657 935711541 /nfs/dbraw/zinc/71/15/41/935711541.db2.gz VAGXGDBYYJRZEQ-ZDUSSCGKSA-N 1 2 268.320 1.000 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)NC(=O)C2 ZINC001038281077 935739615 /nfs/dbraw/zinc/73/96/15/935739615.db2.gz AHIAJXHUOJCXEN-CQSZACIVSA-N 1 2 297.358 1.009 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)NC(=O)C2 ZINC001038281077 935739616 /nfs/dbraw/zinc/73/96/16/935739616.db2.gz AHIAJXHUOJCXEN-CQSZACIVSA-N 1 2 297.358 1.009 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(C(C)(C)C)n1 ZINC001038311092 935740975 /nfs/dbraw/zinc/74/09/75/935740975.db2.gz NRRIJKYSDYUSRU-GFCCVEGCSA-N 1 2 274.368 1.075 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(C(C)(C)C)n1 ZINC001038311092 935740977 /nfs/dbraw/zinc/74/09/77/935740977.db2.gz NRRIJKYSDYUSRU-GFCCVEGCSA-N 1 2 274.368 1.075 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(F)ccc1F ZINC001038346099 935742079 /nfs/dbraw/zinc/74/20/79/935742079.db2.gz UMTAKBQRPSFPHP-NSHDSACASA-N 1 2 264.275 1.402 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)ccc1F ZINC001038346099 935742080 /nfs/dbraw/zinc/74/20/80/935742080.db2.gz UMTAKBQRPSFPHP-NSHDSACASA-N 1 2 264.275 1.402 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001038506620 935746854 /nfs/dbraw/zinc/74/68/54/935746854.db2.gz ZLXSUSTWFQTRRK-LZWOXQAQSA-N 1 2 276.380 1.159 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001038506620 935746856 /nfs/dbraw/zinc/74/68/56/935746856.db2.gz ZLXSUSTWFQTRRK-LZWOXQAQSA-N 1 2 276.380 1.159 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(Cl)c1F ZINC001038654965 935751876 /nfs/dbraw/zinc/75/18/76/935751876.db2.gz SOXSCOFFASHKNP-JTQLQIEISA-N 1 2 280.730 1.916 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(Cl)c1F ZINC001038654965 935751878 /nfs/dbraw/zinc/75/18/78/935751878.db2.gz SOXSCOFFASHKNP-JTQLQIEISA-N 1 2 280.730 1.916 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1csc(C(C)(C)C)n1 ZINC001038817058 935757580 /nfs/dbraw/zinc/75/75/80/935757580.db2.gz TVRWEYIGSLSTOS-NSHDSACASA-N 1 2 291.420 1.878 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1csc(C(C)(C)C)n1 ZINC001038817058 935757583 /nfs/dbraw/zinc/75/75/83/935757583.db2.gz TVRWEYIGSLSTOS-NSHDSACASA-N 1 2 291.420 1.878 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1nc(C)oc1C ZINC001038851082 935760032 /nfs/dbraw/zinc/76/00/32/935760032.db2.gz ZVVJMILSBXLYPN-LBPRGKRZSA-N 1 2 261.325 1.119 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1nc(C)oc1C ZINC001038851082 935760035 /nfs/dbraw/zinc/76/00/35/935760035.db2.gz ZVVJMILSBXLYPN-LBPRGKRZSA-N 1 2 261.325 1.119 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC001039346208 935772710 /nfs/dbraw/zinc/77/27/10/935772710.db2.gz BTICWBQFFAIZNT-UHTWSYAYSA-N 1 2 281.787 1.964 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC001039346208 935772711 /nfs/dbraw/zinc/77/27/11/935772711.db2.gz BTICWBQFFAIZNT-UHTWSYAYSA-N 1 2 281.787 1.964 20 30 CDEDLO C=CCC[NH+]1CC(N(C)C(=O)c2scnc2C)C1 ZINC001042500015 935822832 /nfs/dbraw/zinc/82/28/32/935822832.db2.gz HLQFVIXFVNDQEQ-UHFFFAOYSA-N 1 2 265.382 1.784 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccncc2F)C1 ZINC001042567114 935824363 /nfs/dbraw/zinc/82/43/63/935824363.db2.gz TVFDKGDWKPEKJT-UHFFFAOYSA-N 1 2 261.300 1.000 20 30 CDEDLO C=C(C)CN1CC(N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001042723592 935828490 /nfs/dbraw/zinc/82/84/90/935828490.db2.gz WSARIHCKRLZWNC-UHFFFAOYSA-N 1 2 298.390 1.975 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cn(C)nc2C2CC2)C1 ZINC001042806830 935829485 /nfs/dbraw/zinc/82/94/85/935829485.db2.gz JPEFZAALHOVBBB-UHFFFAOYSA-N 1 2 286.379 1.077 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2Cc3ccccc3O2)C1 ZINC001042770122 935829578 /nfs/dbraw/zinc/82/95/78/935829578.db2.gz GEMVTJLIANVQAQ-OAHLLOKOSA-N 1 2 286.375 1.709 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC001043363787 935838131 /nfs/dbraw/zinc/83/81/31/935838131.db2.gz KYXDMBXDELGZHP-UHFFFAOYSA-N 1 2 289.379 1.682 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2nnn(CC)c2CC)C1 ZINC001043837573 935844840 /nfs/dbraw/zinc/84/48/40/935844840.db2.gz JNQOJDUYFRFTGK-UHFFFAOYSA-N 1 2 291.399 1.193 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c(C)nn(C)c2OC)C1 ZINC001043993990 935848117 /nfs/dbraw/zinc/84/81/17/935848117.db2.gz ASEQGNSMDLPSTC-UHFFFAOYSA-N 1 2 292.383 1.069 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cn2ncc3ccccc32)C1 ZINC001044063671 935850256 /nfs/dbraw/zinc/85/02/56/935850256.db2.gz PSEJDSRSYBDGLA-UHFFFAOYSA-N 1 2 284.363 1.365 20 30 CDEDLO CCNC(=O)C[N@H+](C)Cc1ccc(Cl)c(C#N)c1 ZINC001238196687 945128538 /nfs/dbraw/zinc/12/85/38/945128538.db2.gz ORFNQVBIFKLYEJ-UHFFFAOYSA-N 1 2 265.744 1.780 20 30 CDEDLO CCNC(=O)C[N@@H+](C)Cc1ccc(Cl)c(C#N)c1 ZINC001238196687 945128543 /nfs/dbraw/zinc/12/85/43/945128543.db2.gz ORFNQVBIFKLYEJ-UHFFFAOYSA-N 1 2 265.744 1.780 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCO[C@@H](C(C)C)C2)C1 ZINC001044142703 935852793 /nfs/dbraw/zinc/85/27/93/935852793.db2.gz PXPIZJIJFPXVOC-UKRRQHHQSA-N 1 2 280.412 1.766 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(C)n[nH]2)C1 ZINC001046169999 935930805 /nfs/dbraw/zinc/93/08/05/935930805.db2.gz RSHRLAVQIZYPSM-CYBMUJFWSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C)n[nH]2)C1 ZINC001046169999 935930809 /nfs/dbraw/zinc/93/08/09/935930809.db2.gz RSHRLAVQIZYPSM-CYBMUJFWSA-N 1 2 282.775 1.665 20 30 CDEDLO COc1ccnc(N=NC(C)c2cn(C)c(C)[nH+]2)n1 ZINC000800809654 935937262 /nfs/dbraw/zinc/93/72/62/935937262.db2.gz FKDRXKVUUYNTBN-UHFFFAOYSA-N 1 2 260.301 1.363 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1NC ZINC000803306877 936113548 /nfs/dbraw/zinc/11/35/48/936113548.db2.gz XZYKSQXTXTYZGJ-HNNXBMFYSA-N 1 2 282.347 1.636 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1NC ZINC000803306877 936113549 /nfs/dbraw/zinc/11/35/49/936113549.db2.gz XZYKSQXTXTYZGJ-HNNXBMFYSA-N 1 2 282.347 1.636 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C3CCCCC3)n2C)CC1 ZINC001121278830 937864826 /nfs/dbraw/zinc/86/48/26/937864826.db2.gz GGQXPSBKNSTXQG-UHFFFAOYSA-N 1 2 287.411 1.618 20 30 CDEDLO N#Cc1cc(C(F)(F)N2CC[NH2+]C[C@@H]2C#N)cnc1Cl ZINC001156319815 938351104 /nfs/dbraw/zinc/35/11/04/938351104.db2.gz GRZJDFXUXZLYFP-JTQLQIEISA-N 1 2 297.696 1.453 20 30 CDEDLO COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1nc(C)ccc1C#N ZINC001160691996 938815523 /nfs/dbraw/zinc/81/55/23/938815523.db2.gz ZVPRNBGVKDPXFV-CYBMUJFWSA-N 1 2 299.334 1.191 20 30 CDEDLO N#Cc1nccnc1NC1CN(c2cccc[nH+]2)C1 ZINC001161319234 938888450 /nfs/dbraw/zinc/88/84/50/938888450.db2.gz MDUFIIPTBFSMSX-UHFFFAOYSA-N 1 2 252.281 1.044 20 30 CDEDLO CCOC(=O)[C@H]([NH3+])CNc1nccc2ccc(C#N)cc21 ZINC001161949893 938947440 /nfs/dbraw/zinc/94/74/40/938947440.db2.gz DXOIMOAOFPQNGH-CYBMUJFWSA-N 1 2 284.319 1.409 20 30 CDEDLO CC(C)(C)[C@@H](C[NH+]1CCOCC1)Nc1nccnc1C#N ZINC001162877805 939156425 /nfs/dbraw/zinc/15/64/25/939156425.db2.gz RCKUJKUYAGVNOL-CYBMUJFWSA-N 1 2 289.383 1.507 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1c1nc(Cl)nc2c1CCCC2 ZINC001164642882 939501251 /nfs/dbraw/zinc/50/12/51/939501251.db2.gz ZWRLEDLOIWLEIC-SECBINFHSA-N 1 2 277.759 1.311 20 30 CDEDLO Cc1nc(C2CC2)nc(Cl)c1N1CC[NH2+]C[C@H]1C#N ZINC001164662021 939502815 /nfs/dbraw/zinc/50/28/15/939502815.db2.gz RZMDRCDWGKDSMU-SNVBAGLBSA-N 1 2 277.759 1.618 20 30 CDEDLO N#CCc1cc[nH+]c(N2CCC3(CCC(=O)O3)CC2)c1 ZINC001166789014 939639006 /nfs/dbraw/zinc/63/90/06/939639006.db2.gz WXFXFSFSOLYDIY-UHFFFAOYSA-N 1 2 271.320 1.824 20 30 CDEDLO CC1(C)C[N@@H+](C2CN(Cc3ccccc3C#N)C2)CCO1 ZINC001204371172 939760996 /nfs/dbraw/zinc/76/09/96/939760996.db2.gz FNKPHMYJDADCDY-UHFFFAOYSA-N 1 2 285.391 1.853 20 30 CDEDLO CC1(C)C[N@H+](C2CN(Cc3ccccc3C#N)C2)CCO1 ZINC001204371172 939760998 /nfs/dbraw/zinc/76/09/98/939760998.db2.gz FNKPHMYJDADCDY-UHFFFAOYSA-N 1 2 285.391 1.853 20 30 CDEDLO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC001204374605 939761433 /nfs/dbraw/zinc/76/14/33/939761433.db2.gz BQIYWEVCKASREC-AWEZNQCLSA-N 1 2 257.337 1.659 20 30 CDEDLO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC001204374605 939761434 /nfs/dbraw/zinc/76/14/34/939761434.db2.gz BQIYWEVCKASREC-AWEZNQCLSA-N 1 2 257.337 1.659 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nccs2)C[C@H]1C ZINC001206912451 940111288 /nfs/dbraw/zinc/11/12/88/940111288.db2.gz MOXBACOTXXEVTI-CHWSQXEVSA-N 1 2 291.420 1.883 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2nccs2)C[C@H]1C ZINC001206912451 940111292 /nfs/dbraw/zinc/11/12/92/940111292.db2.gz MOXBACOTXXEVTI-CHWSQXEVSA-N 1 2 291.420 1.883 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C1 ZINC001206938439 940114928 /nfs/dbraw/zinc/11/49/28/940114928.db2.gz WURPFAYFMBXAQH-DGCLKSJQSA-N 1 2 268.788 1.835 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C1 ZINC001206938439 940114929 /nfs/dbraw/zinc/11/49/29/940114929.db2.gz WURPFAYFMBXAQH-DGCLKSJQSA-N 1 2 268.788 1.835 20 30 CDEDLO C#CC[NH+](CC#C)CCN(CC=C)C(=O)OC(C)(C)C ZINC001207204732 940166233 /nfs/dbraw/zinc/16/62/33/940166233.db2.gz WEYQZYJBVQOXBC-UHFFFAOYSA-N 1 2 276.380 1.978 20 30 CDEDLO C=CCCCC(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001209335547 940462202 /nfs/dbraw/zinc/46/22/02/940462202.db2.gz NYCIXMHCPFYQTR-CYBMUJFWSA-N 1 2 292.383 1.815 20 30 CDEDLO C#CC[NH+]1CCN(C[C@H](CC)NC(=O)OC(C)(C)C)CC1 ZINC001209466290 940593555 /nfs/dbraw/zinc/59/35/55/940593555.db2.gz KXCLJIGPTWWWSN-AWEZNQCLSA-N 1 2 295.427 1.541 20 30 CDEDLO C=CCN(CCN1CC[NH2+]CC(F)(F)C1)C(=O)OCC ZINC001210814933 940715348 /nfs/dbraw/zinc/71/53/48/940715348.db2.gz LKZLMIIZFXHGPB-UHFFFAOYSA-N 1 2 291.342 1.171 20 30 CDEDLO CC(=O)N1CC[N@H+](C[C@H](O)c2cccc(C#N)c2)[C@H](C)C1 ZINC001473221855 970769976 /nfs/dbraw/zinc/76/99/76/970769976.db2.gz DHVKASRDIIVTEL-WBMJQRKESA-N 1 2 287.363 1.144 20 30 CDEDLO CC(=O)N1CC[N@@H+](C[C@H](O)c2cccc(C#N)c2)[C@H](C)C1 ZINC001473221855 970769979 /nfs/dbraw/zinc/76/99/79/970769979.db2.gz DHVKASRDIIVTEL-WBMJQRKESA-N 1 2 287.363 1.144 20 30 CDEDLO N#Cc1ccc2nc(=O)[nH]c(O[C@@H]3CCC[NH2+]C3)c2c1 ZINC001218286645 941052036 /nfs/dbraw/zinc/05/20/36/941052036.db2.gz HZQDMXQAZKNZSQ-SNVBAGLBSA-N 1 2 270.292 1.338 20 30 CDEDLO C=CCN1CCC[C@H]1CNC(=O)c1cnc([C@@H](C)[NH3+])s1 ZINC001220868685 941479039 /nfs/dbraw/zinc/47/90/39/941479039.db2.gz OZOFJOIYWQOOMW-MNOVXSKESA-N 1 2 294.424 1.543 20 30 CDEDLO Cc1ncc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c(C)n1 ZINC001225404722 941854915 /nfs/dbraw/zinc/85/49/15/941854915.db2.gz FDIAABVJMOMOOQ-GQTXGERZSA-N 1 2 261.325 1.085 20 30 CDEDLO Cc1ncc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c(C)n1 ZINC001225404722 941854918 /nfs/dbraw/zinc/85/49/18/941854918.db2.gz FDIAABVJMOMOOQ-GQTXGERZSA-N 1 2 261.325 1.085 20 30 CDEDLO COc1cccnc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001226142697 941956444 /nfs/dbraw/zinc/95/64/44/941956444.db2.gz PRKVXKVPJXFAJJ-NJFCNUMCSA-N 1 2 262.309 1.081 20 30 CDEDLO COc1cccnc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001226142697 941956447 /nfs/dbraw/zinc/95/64/47/941956447.db2.gz PRKVXKVPJXFAJJ-NJFCNUMCSA-N 1 2 262.309 1.081 20 30 CDEDLO COc1cccc(C#N)c1OC[C@H]1C[N@H+](C)CCO1 ZINC001226250492 941975049 /nfs/dbraw/zinc/97/50/49/941975049.db2.gz MXHZGNNQQAQNOL-GFCCVEGCSA-N 1 2 262.309 1.276 20 30 CDEDLO COc1cccc(C#N)c1OC[C@H]1C[N@@H+](C)CCO1 ZINC001226250492 941975052 /nfs/dbraw/zinc/97/50/52/941975052.db2.gz MXHZGNNQQAQNOL-GFCCVEGCSA-N 1 2 262.309 1.276 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncc(F)cc3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001226751483 942062323 /nfs/dbraw/zinc/06/23/23/942062323.db2.gz LAHQGBJURIFKAX-ADAFDVPTSA-N 1 2 295.270 1.120 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncc(F)cc3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001226751483 942062327 /nfs/dbraw/zinc/06/23/27/942062327.db2.gz LAHQGBJURIFKAX-ADAFDVPTSA-N 1 2 295.270 1.120 20 30 CDEDLO CCc1cnnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001229057230 942412933 /nfs/dbraw/zinc/41/29/33/942412933.db2.gz WNYPFLSUGGZTOT-GQTXGERZSA-N 1 2 261.325 1.030 20 30 CDEDLO CCc1cnnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001229057230 942412935 /nfs/dbraw/zinc/41/29/35/942412935.db2.gz WNYPFLSUGGZTOT-GQTXGERZSA-N 1 2 261.325 1.030 20 30 CDEDLO COC[C@@H](C)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230533402 942632315 /nfs/dbraw/zinc/63/23/15/942632315.db2.gz LSHJDRWHVUYAIQ-HIFRSBDPSA-N 1 2 293.411 1.495 20 30 CDEDLO COC[C@@H](C)C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001230533402 942632322 /nfs/dbraw/zinc/63/23/22/942632322.db2.gz LSHJDRWHVUYAIQ-HIFRSBDPSA-N 1 2 293.411 1.495 20 30 CDEDLO CC[NH+]1CC(Oc2ccc(CC(=O)OC)c(C#N)c2)C1 ZINC001231044419 942764692 /nfs/dbraw/zinc/76/46/92/942764692.db2.gz QYWYPVDCESOHBZ-UHFFFAOYSA-N 1 2 274.320 1.357 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CC[N@@H+]1C/C=C/Cl ZINC001231293654 942846993 /nfs/dbraw/zinc/84/69/93/942846993.db2.gz PGMZVAPGQFWGNJ-UQRCUPDISA-N 1 2 255.749 1.431 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CC[N@H+]1C/C=C/Cl ZINC001231293654 942846999 /nfs/dbraw/zinc/84/69/99/942846999.db2.gz PGMZVAPGQFWGNJ-UQRCUPDISA-N 1 2 255.749 1.431 20 30 CDEDLO C#Cc1cccc(C[N@H+]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC001231661873 942965525 /nfs/dbraw/zinc/96/55/25/942965525.db2.gz ZSQGAUJUJUQTMW-HNNXBMFYSA-N 1 2 277.389 1.677 20 30 CDEDLO C#Cc1cccc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC001231661873 942965527 /nfs/dbraw/zinc/96/55/27/942965527.db2.gz ZSQGAUJUJUQTMW-HNNXBMFYSA-N 1 2 277.389 1.677 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)c1 ZINC001232675186 943357578 /nfs/dbraw/zinc/35/75/78/943357578.db2.gz MXIHBDWJOBZZEK-DOMZBBRYSA-N 1 2 258.321 1.875 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)c1 ZINC001232675186 943357583 /nfs/dbraw/zinc/35/75/83/943357583.db2.gz MXIHBDWJOBZZEK-DOMZBBRYSA-N 1 2 258.321 1.875 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)c1 ZINC001232678727 943359963 /nfs/dbraw/zinc/35/99/63/943359963.db2.gz NRYBXSGQMFWZNX-UHFFFAOYSA-N 1 2 298.302 1.023 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)c1 ZINC001232678727 943359966 /nfs/dbraw/zinc/35/99/66/943359966.db2.gz NRYBXSGQMFWZNX-UHFFFAOYSA-N 1 2 298.302 1.023 20 30 CDEDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232680423 943362284 /nfs/dbraw/zinc/36/22/84/943362284.db2.gz DGUNUWDMSWCKET-OSAQELSMSA-N 1 2 286.331 1.790 20 30 CDEDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1cc(C#N)ccc1O ZINC001232680423 943362292 /nfs/dbraw/zinc/36/22/92/943362292.db2.gz DGUNUWDMSWCKET-OSAQELSMSA-N 1 2 286.331 1.790 20 30 CDEDLO C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C#N)cc3[O-])C[C@@H]2C1 ZINC001233387111 943574182 /nfs/dbraw/zinc/57/41/82/943574182.db2.gz VHTSYZAXQAFRKA-OKILXGFUSA-N 1 2 257.337 1.257 20 30 CDEDLO C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C#N)cc3[O-])C[C@@H]2C1 ZINC001233387111 943574185 /nfs/dbraw/zinc/57/41/85/943574185.db2.gz VHTSYZAXQAFRKA-OKILXGFUSA-N 1 2 257.337 1.257 20 30 CDEDLO C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3[O-])C[C@@H]2C1 ZINC001233387111 943574188 /nfs/dbraw/zinc/57/41/88/943574188.db2.gz VHTSYZAXQAFRKA-OKILXGFUSA-N 1 2 257.337 1.257 20 30 CDEDLO C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C#N)cc3[O-])C[C@@H]2C1 ZINC001233387111 943574193 /nfs/dbraw/zinc/57/41/93/943574193.db2.gz VHTSYZAXQAFRKA-OKILXGFUSA-N 1 2 257.337 1.257 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC)SC ZINC001233691425 943641228 /nfs/dbraw/zinc/64/12/28/943641228.db2.gz AWCODRLQSXHEAN-NWDGAFQWSA-N 1 2 254.399 1.294 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC)SC ZINC001233691425 943641230 /nfs/dbraw/zinc/64/12/30/943641230.db2.gz AWCODRLQSXHEAN-NWDGAFQWSA-N 1 2 254.399 1.294 20 30 CDEDLO COc1cc(/C=N/O)ccc1OC1C[NH+](C(C)C)C1 ZINC001233800035 943661927 /nfs/dbraw/zinc/66/19/27/943661927.db2.gz NXNYCJXYNWTYOS-VIZOYTHASA-N 1 2 264.325 1.975 20 30 CDEDLO CCCC[C@@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001234051113 943727691 /nfs/dbraw/zinc/72/76/91/943727691.db2.gz SNBPGDCUVXBSGO-HZPDHXFCSA-N 1 2 294.439 1.995 20 30 CDEDLO CCCC[C@@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001234051113 943727693 /nfs/dbraw/zinc/72/76/93/943727693.db2.gz SNBPGDCUVXBSGO-HZPDHXFCSA-N 1 2 294.439 1.995 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001234536786 943883049 /nfs/dbraw/zinc/88/30/49/943883049.db2.gz HBQRBZCMHAPGPU-STQMWFEESA-N 1 2 293.411 1.010 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001234536786 943883057 /nfs/dbraw/zinc/88/30/57/943883057.db2.gz HBQRBZCMHAPGPU-STQMWFEESA-N 1 2 293.411 1.010 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001234536782 943883570 /nfs/dbraw/zinc/88/35/70/943883570.db2.gz HBQRBZCMHAPGPU-CHWSQXEVSA-N 1 2 293.411 1.010 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001234536782 943883579 /nfs/dbraw/zinc/88/35/79/943883579.db2.gz HBQRBZCMHAPGPU-CHWSQXEVSA-N 1 2 293.411 1.010 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cncn1C ZINC001234593197 943908061 /nfs/dbraw/zinc/90/80/61/943908061.db2.gz GJAABOIJRMJRHE-AWEZNQCLSA-N 1 2 290.411 1.809 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cncn1C ZINC001234593197 943908064 /nfs/dbraw/zinc/90/80/64/943908064.db2.gz GJAABOIJRMJRHE-AWEZNQCLSA-N 1 2 290.411 1.809 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)N1CCC(C)(C#N)CC1 ZINC001263774472 943969432 /nfs/dbraw/zinc/96/94/32/943969432.db2.gz ZKJJSXOWTSSLBW-UHFFFAOYSA-N 1 2 260.341 1.505 20 30 CDEDLO C=CCN(C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C)C(C)C ZINC001263778254 943971992 /nfs/dbraw/zinc/97/19/92/943971992.db2.gz HPXVZVULWLAMLK-KGLIPLIRSA-N 1 2 282.432 1.227 20 30 CDEDLO C=CCN(C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C)C(C)C ZINC001263778254 943971993 /nfs/dbraw/zinc/97/19/93/943971993.db2.gz HPXVZVULWLAMLK-KGLIPLIRSA-N 1 2 282.432 1.227 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2nc(C3CC3)cs2)C1 ZINC001263916066 944030132 /nfs/dbraw/zinc/03/01/32/944030132.db2.gz CNLPQZALCFOLCR-LBPRGKRZSA-N 1 2 289.404 1.848 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2nc(C3CC3)cs2)C1 ZINC001263916066 944030139 /nfs/dbraw/zinc/03/01/39/944030139.db2.gz CNLPQZALCFOLCR-LBPRGKRZSA-N 1 2 289.404 1.848 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cncc(OC)c2C)CC1 ZINC001235471544 944166734 /nfs/dbraw/zinc/16/67/34/944166734.db2.gz RUAKIOIALGFGES-UHFFFAOYSA-N 1 2 259.353 1.149 20 30 CDEDLO C#CCN1CC[NH+](Cc2cncc(OC)c2C)CC1 ZINC001235471544 944166736 /nfs/dbraw/zinc/16/67/36/944166736.db2.gz RUAKIOIALGFGES-UHFFFAOYSA-N 1 2 259.353 1.149 20 30 CDEDLO N#CCc1ccccc1C[N@@H+]1C[C@@H]2COC[C@H](C1)C2=O ZINC001235528762 944190319 /nfs/dbraw/zinc/19/03/19/944190319.db2.gz SYGXSTURMLQBEP-GASCZTMLSA-N 1 2 270.332 1.400 20 30 CDEDLO N#CCc1ccccc1C[N@H+]1C[C@@H]2COC[C@H](C1)C2=O ZINC001235528762 944190322 /nfs/dbraw/zinc/19/03/22/944190322.db2.gz SYGXSTURMLQBEP-GASCZTMLSA-N 1 2 270.332 1.400 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccncc2C(F)(F)F)CC1 ZINC001237294669 944720983 /nfs/dbraw/zinc/72/09/83/944720983.db2.gz LQEGSJVYUBQOOI-UHFFFAOYSA-N 1 2 283.297 1.851 20 30 CDEDLO COC(=O)c1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)nn1C ZINC001237572953 944852477 /nfs/dbraw/zinc/85/24/77/944852477.db2.gz PLGSONBMEHATSL-UOJUARBOSA-N 1 2 288.351 1.473 20 30 CDEDLO COC(=O)c1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)nn1C ZINC001237572953 944852483 /nfs/dbraw/zinc/85/24/83/944852483.db2.gz PLGSONBMEHATSL-UOJUARBOSA-N 1 2 288.351 1.473 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1C1CCc2ccccc2CC1 ZINC001254457924 947450739 /nfs/dbraw/zinc/45/07/39/947450739.db2.gz KTXGOGKYQGOOGU-MRXNPFEDSA-N 1 2 255.365 1.731 20 30 CDEDLO C=C1CC=C(F)C=C1[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC001257230144 948556285 /nfs/dbraw/zinc/55/62/85/948556285.db2.gz SYRIQPTUIDLGPZ-UHFFFAOYSA-N 1 2 286.372 1.697 20 30 CDEDLO C#CC[C@H]([NH3+])c1nc(-c2cccc3c2CCC3=O)no1 ZINC001247609100 948677521 /nfs/dbraw/zinc/67/75/21/948677521.db2.gz DZUUYYPKDSNPRM-LBPRGKRZSA-N 1 2 267.288 1.889 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001479947701 971498691 /nfs/dbraw/zinc/49/86/91/971498691.db2.gz AOOCVNDLHZBDEA-CQSZACIVSA-N 1 2 274.368 1.442 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](Cc2cnc(C)nc2)C1 ZINC001479947701 971498694 /nfs/dbraw/zinc/49/86/94/971498694.db2.gz AOOCVNDLHZBDEA-CQSZACIVSA-N 1 2 274.368 1.442 20 30 CDEDLO CC(=O)Nc1ccc([NH+]=C(NO)c2ccccc2N)cn1 ZINC001249749668 949773877 /nfs/dbraw/zinc/77/38/77/949773877.db2.gz NNBQHDFLQGHNIT-UHFFFAOYSA-N 1 2 285.307 1.679 20 30 CDEDLO N#C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(F)cc2F)C1 ZINC001250856275 950434554 /nfs/dbraw/zinc/43/45/54/950434554.db2.gz FUGJZZICRJTPDE-CMPLNLGQSA-N 1 2 282.290 1.550 20 30 CDEDLO N#C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(F)cc2F)C1 ZINC001250856275 950434562 /nfs/dbraw/zinc/43/45/62/950434562.db2.gz FUGJZZICRJTPDE-CMPLNLGQSA-N 1 2 282.290 1.550 20 30 CDEDLO Cc1csc(NC[C@H](O)C[NH+]2CCOCC2)c1C#N ZINC001251001786 950554339 /nfs/dbraw/zinc/55/43/39/950554339.db2.gz PHVDJWBOHQEXBC-NSHDSACASA-N 1 2 281.381 1.033 20 30 CDEDLO Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C#N)C1 ZINC001251696979 950764582 /nfs/dbraw/zinc/76/45/82/950764582.db2.gz OIHXJTIKVNJCOE-UONOGXRCSA-N 1 2 260.337 1.580 20 30 CDEDLO Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C#N)C1 ZINC001251696979 950764595 /nfs/dbraw/zinc/76/45/95/950764595.db2.gz OIHXJTIKVNJCOE-UONOGXRCSA-N 1 2 260.337 1.580 20 30 CDEDLO C=C[C@@](C)(O)CNc1cc(N2CCOCC2)cc(Cl)[nH+]1 ZINC001252545311 951431752 /nfs/dbraw/zinc/43/17/52/951431752.db2.gz HODYGGZWUQPBFX-CQSZACIVSA-N 1 2 297.786 1.921 20 30 CDEDLO C=C[C@@](C)(O)C[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001252562741 951458567 /nfs/dbraw/zinc/45/85/67/951458567.db2.gz XLEULFMWKUEALN-OAHLLOKOSA-N 1 2 258.321 1.558 20 30 CDEDLO C=C[C@](C)(O)C[NH2+][C@@H](CC1CCC1)C(=O)OCC ZINC001252577849 951469733 /nfs/dbraw/zinc/46/97/33/951469733.db2.gz NDYIBGSYNVFAMY-JSGCOSHPSA-N 1 2 255.358 1.635 20 30 CDEDLO C=CCCCCCC[C@@H](O)C[N@H+]1CCN(C)C(=O)C1 ZINC001253227225 951820063 /nfs/dbraw/zinc/82/00/63/951820063.db2.gz FMKZAYPNNNKYQT-CQSZACIVSA-N 1 2 268.401 1.648 20 30 CDEDLO C=CCCCCCC[C@@H](O)C[N@@H+]1CCN(C)C(=O)C1 ZINC001253227225 951820067 /nfs/dbraw/zinc/82/00/67/951820067.db2.gz FMKZAYPNNNKYQT-CQSZACIVSA-N 1 2 268.401 1.648 20 30 CDEDLO C#CCOCC[N@@H+](C)CCS(=O)(=O)Cc1ccccc1 ZINC001325995698 954175639 /nfs/dbraw/zinc/17/56/39/954175639.db2.gz SOWYSELRTQLPKF-UHFFFAOYSA-N 1 2 295.404 1.183 20 30 CDEDLO C#CCOCC[N@H+](C)CCS(=O)(=O)Cc1ccccc1 ZINC001325995698 954175651 /nfs/dbraw/zinc/17/56/51/954175651.db2.gz SOWYSELRTQLPKF-UHFFFAOYSA-N 1 2 295.404 1.183 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1nccs1 ZINC001493280240 972008054 /nfs/dbraw/zinc/00/80/54/972008054.db2.gz MEZLYXAYWSRYFV-LLVKDONJSA-N 1 2 280.397 1.631 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1nccs1 ZINC001493280240 972008061 /nfs/dbraw/zinc/00/80/61/972008061.db2.gz MEZLYXAYWSRYFV-LLVKDONJSA-N 1 2 280.397 1.631 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccn(C)n1 ZINC001364419418 954591047 /nfs/dbraw/zinc/59/10/47/954591047.db2.gz VCZBYSQGCVCHDN-NWDGAFQWSA-N 1 2 277.372 1.079 20 30 CDEDLO C=C[C@H](C)ONC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001327282979 954811798 /nfs/dbraw/zinc/81/17/98/954811798.db2.gz NYPIHLMMNJUQQX-STQMWFEESA-N 1 2 292.383 1.890 20 30 CDEDLO C=CC[N@H+](CC(=O)OCC)C[C@@H](OCC)C1CC1 ZINC001307439075 956409051 /nfs/dbraw/zinc/40/90/51/956409051.db2.gz UGZGVNCVIPSCTL-CYBMUJFWSA-N 1 2 255.358 1.853 20 30 CDEDLO C=CC[N@@H+](CC(=O)OCC)C[C@@H](OCC)C1CC1 ZINC001307439075 956409062 /nfs/dbraw/zinc/40/90/62/956409062.db2.gz UGZGVNCVIPSCTL-CYBMUJFWSA-N 1 2 255.358 1.853 20 30 CDEDLO C=CCn1cnn(C[N@H+](C)C[C@@H]2CCOC2)c1=S ZINC001331107584 956825382 /nfs/dbraw/zinc/82/53/82/956825382.db2.gz WIDIRSBZPZAFMS-NSHDSACASA-N 1 2 268.386 1.526 20 30 CDEDLO C=CCn1cnn(C[N@@H+](C)C[C@@H]2CCOC2)c1=S ZINC001331107584 956825395 /nfs/dbraw/zinc/82/53/95/956825395.db2.gz WIDIRSBZPZAFMS-NSHDSACASA-N 1 2 268.386 1.526 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1conc1COC ZINC001366581568 956990973 /nfs/dbraw/zinc/99/09/73/956990973.db2.gz YVJYOSWQUOHNCA-UHFFFAOYSA-N 1 2 287.747 1.235 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1conc1COC ZINC001366581568 956990983 /nfs/dbraw/zinc/99/09/83/956990983.db2.gz YVJYOSWQUOHNCA-UHFFFAOYSA-N 1 2 287.747 1.235 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1nonc1C)C1CC1 ZINC001366758183 957169234 /nfs/dbraw/zinc/16/92/34/957169234.db2.gz ILNFHHMDGTXSDF-UHFFFAOYSA-N 1 2 298.774 1.254 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1nonc1C)C1CC1 ZINC001366758183 957169237 /nfs/dbraw/zinc/16/92/37/957169237.db2.gz ILNFHHMDGTXSDF-UHFFFAOYSA-N 1 2 298.774 1.254 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccnn1C ZINC001424925108 957411308 /nfs/dbraw/zinc/41/13/08/957411308.db2.gz YYWGYJNCMSSMSH-SNVBAGLBSA-N 1 2 270.764 1.223 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccnn1C ZINC001424925108 957411311 /nfs/dbraw/zinc/41/13/11/957411311.db2.gz YYWGYJNCMSSMSH-SNVBAGLBSA-N 1 2 270.764 1.223 20 30 CDEDLO C=CCn1cnn(C[N@H+]2CC[C@H](COC)C2)c1=S ZINC001318650990 958213754 /nfs/dbraw/zinc/21/37/54/958213754.db2.gz MGMYRGQOAUSYGH-NSHDSACASA-N 1 2 268.386 1.526 20 30 CDEDLO C=CCn1cnn(C[N@@H+]2CC[C@H](COC)C2)c1=S ZINC001318650990 958213758 /nfs/dbraw/zinc/21/37/58/958213758.db2.gz MGMYRGQOAUSYGH-NSHDSACASA-N 1 2 268.386 1.526 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCC(=O)c1ccccc1)CC1CC1 ZINC001319458116 958577403 /nfs/dbraw/zinc/57/74/03/958577403.db2.gz IKONVSKHBFXLPF-UHFFFAOYSA-N 1 2 284.359 1.331 20 30 CDEDLO C#CC[N@H+](CC(=O)NCC(=O)c1ccccc1)CC1CC1 ZINC001319458116 958577417 /nfs/dbraw/zinc/57/74/17/958577417.db2.gz IKONVSKHBFXLPF-UHFFFAOYSA-N 1 2 284.359 1.331 20 30 CDEDLO N#Cc1ccc(N2CCn3c[nH+]cc3C2)c(CO)c1 ZINC001333766386 958580815 /nfs/dbraw/zinc/58/08/15/958580815.db2.gz FLTQVBXCEYKZFP-UHFFFAOYSA-N 1 2 254.293 1.267 20 30 CDEDLO C#CCN(CC1CC1)C(=O)NCCCCn1cc[nH+]c1 ZINC001319546112 958622127 /nfs/dbraw/zinc/62/21/27/958622127.db2.gz ZACBVGCGAMMMSF-UHFFFAOYSA-N 1 2 274.368 1.718 20 30 CDEDLO Cc1nc([C@@H](C)[NH2+]CCOc2ccccc2C#N)no1 ZINC001320105431 958941105 /nfs/dbraw/zinc/94/11/05/958941105.db2.gz UZFXUCVDVBJSOA-SNVBAGLBSA-N 1 2 272.308 1.979 20 30 CDEDLO C#CCOCC[N@@H+](C)Cc1nc(-c2ccccc2F)no1 ZINC001320834834 959416615 /nfs/dbraw/zinc/41/66/15/959416615.db2.gz UMJJSYZRZYXBIQ-UHFFFAOYSA-N 1 2 289.310 1.957 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1nc(-c2ccccc2F)no1 ZINC001320834834 959416623 /nfs/dbraw/zinc/41/66/23/959416623.db2.gz UMJJSYZRZYXBIQ-UHFFFAOYSA-N 1 2 289.310 1.957 20 30 CDEDLO C[C@@H](C#N)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001339079234 962153584 /nfs/dbraw/zinc/15/35/84/962153584.db2.gz LSCZHTKMUFWLMR-GXTWGEPZSA-N 1 2 272.352 1.464 20 30 CDEDLO C[C@@H](C#N)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001339079234 962153599 /nfs/dbraw/zinc/15/35/99/962153599.db2.gz LSCZHTKMUFWLMR-GXTWGEPZSA-N 1 2 272.352 1.464 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1cc(C)on1 ZINC001420373031 962812017 /nfs/dbraw/zinc/81/20/17/962812017.db2.gz XUXSOMWULBKONM-UHFFFAOYSA-N 1 2 285.775 1.716 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1cc(C)on1 ZINC001420373031 962812032 /nfs/dbraw/zinc/81/20/32/962812032.db2.gz XUXSOMWULBKONM-UHFFFAOYSA-N 1 2 285.775 1.716 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)F)n2CC=C)CC1 ZINC001340466612 962948355 /nfs/dbraw/zinc/94/83/55/962948355.db2.gz UFXWCONPPRWEOF-UHFFFAOYSA-N 1 2 291.374 1.424 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cccn2ccnc12 ZINC001437539799 963003885 /nfs/dbraw/zinc/00/38/85/963003885.db2.gz WGRADPUPBONLSR-UHFFFAOYSA-N 1 2 292.770 1.748 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cccn2ccnc12 ZINC001437539799 963003897 /nfs/dbraw/zinc/00/38/97/963003897.db2.gz WGRADPUPBONLSR-UHFFFAOYSA-N 1 2 292.770 1.748 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1nocc1C ZINC001420648601 963155965 /nfs/dbraw/zinc/15/59/65/963155965.db2.gz PPOPPMGQJNAHAK-SNVBAGLBSA-N 1 2 271.748 1.786 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1nocc1C ZINC001420648601 963155981 /nfs/dbraw/zinc/15/59/81/963155981.db2.gz PPOPPMGQJNAHAK-SNVBAGLBSA-N 1 2 271.748 1.786 20 30 CDEDLO C[C@H](C#N)C(=O)NC1(C)CC[NH+](Cc2nccs2)CC1 ZINC001421139544 963472230 /nfs/dbraw/zinc/47/22/30/963472230.db2.gz PDYMCQAADCYHQI-LLVKDONJSA-N 1 2 292.408 1.773 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@]1(C)CCCOC1 ZINC001438930702 963604019 /nfs/dbraw/zinc/60/40/19/963604019.db2.gz JYLOPTLXVRRCOB-AWEZNQCLSA-N 1 2 288.819 1.946 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@]1(C)CCCOC1 ZINC001438930702 963604024 /nfs/dbraw/zinc/60/40/24/963604024.db2.gz JYLOPTLXVRRCOB-AWEZNQCLSA-N 1 2 288.819 1.946 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1nccc1C ZINC001439376040 963743392 /nfs/dbraw/zinc/74/33/92/963743392.db2.gz UAYXGMPUYIZGFI-LLVKDONJSA-N 1 2 284.791 1.381 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cn1nccc1C ZINC001439376040 963743394 /nfs/dbraw/zinc/74/33/94/963743394.db2.gz UAYXGMPUYIZGFI-LLVKDONJSA-N 1 2 284.791 1.381 20 30 CDEDLO N#Cc1cc(C(=O)NCCCn2cc[nH+]c2)cs1 ZINC001344041075 964218127 /nfs/dbraw/zinc/21/81/27/964218127.db2.gz CZUWVUACFSXNDE-UHFFFAOYSA-N 1 2 260.322 1.636 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCc1ccn(C)n1 ZINC001444994506 966045067 /nfs/dbraw/zinc/04/50/67/966045067.db2.gz RJKFRDGTBPNARD-UHFFFAOYSA-N 1 2 298.818 1.495 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCc1ccn(C)n1 ZINC001444994506 966045077 /nfs/dbraw/zinc/04/50/77/966045077.db2.gz RJKFRDGTBPNARD-UHFFFAOYSA-N 1 2 298.818 1.495 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2c(F)ccnc2Cl)C1 ZINC001350462191 966673579 /nfs/dbraw/zinc/67/35/79/966673579.db2.gz BZYHOSYGRBZMRH-JTQLQIEISA-N 1 2 295.745 1.702 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2c(F)ccnc2Cl)C1 ZINC001350462191 966673584 /nfs/dbraw/zinc/67/35/84/966673584.db2.gz BZYHOSYGRBZMRH-JTQLQIEISA-N 1 2 295.745 1.702 20 30 CDEDLO C#C[C@@H](C)NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001350542545 966692011 /nfs/dbraw/zinc/69/20/11/966692011.db2.gz DZVHTPDGZNVRRG-CHWSQXEVSA-N 1 2 274.368 1.406 20 30 CDEDLO C=CCn1cnn(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1=S ZINC001352119021 967102400 /nfs/dbraw/zinc/10/24/00/967102400.db2.gz BIOJLYPGSQPXJP-PHIMTYICSA-N 1 2 266.370 1.136 20 30 CDEDLO C=CCn1cnn(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1=S ZINC001352119021 967102406 /nfs/dbraw/zinc/10/24/06/967102406.db2.gz BIOJLYPGSQPXJP-PHIMTYICSA-N 1 2 266.370 1.136 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCNc1ccc(C#N)cn1 ZINC000847330924 967305682 /nfs/dbraw/zinc/30/56/82/967305682.db2.gz BIQLTEXTTZJDOS-NSHDSACASA-N 1 2 298.350 1.083 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCNc1ccc(C#N)cn1 ZINC000847330924 967305692 /nfs/dbraw/zinc/30/56/92/967305692.db2.gz BIQLTEXTTZJDOS-NSHDSACASA-N 1 2 298.350 1.083 20 30 CDEDLO C#Cc1cccc(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC000848208060 968834037 /nfs/dbraw/zinc/83/40/37/968834037.db2.gz GETVNDAMZRFFMB-GFCCVEGCSA-N 1 2 267.332 1.886 20 30 CDEDLO C#Cc1cccc(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1 ZINC000848208060 968834042 /nfs/dbraw/zinc/83/40/42/968834042.db2.gz GETVNDAMZRFFMB-GFCCVEGCSA-N 1 2 267.332 1.886 20 30 CDEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001466317683 969942361 /nfs/dbraw/zinc/94/23/61/969942361.db2.gz NIEPOVMHMCTAIB-JTQLQIEISA-N 1 2 270.292 1.882 20 30 CDEDLO C=C(C)CCC(=O)O[C@H](COC)C[N@@H+]1CCO[C@H](C)C1 ZINC001519117041 970066299 /nfs/dbraw/zinc/06/62/99/970066299.db2.gz OFKSKLGPYRMCQZ-KGLIPLIRSA-N 1 2 285.384 1.622 20 30 CDEDLO C=C(C)CCC(=O)O[C@H](COC)C[N@H+]1CCO[C@H](C)C1 ZINC001519117041 970066308 /nfs/dbraw/zinc/06/63/08/970066308.db2.gz OFKSKLGPYRMCQZ-KGLIPLIRSA-N 1 2 285.384 1.622 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2(CCOC)CC2)C1 ZINC001373508863 973473860 /nfs/dbraw/zinc/47/38/60/973473860.db2.gz HUQYQYDSVJQCRJ-UHFFFAOYSA-N 1 2 286.803 1.604 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1cnn(C)c1C ZINC001498306995 973822378 /nfs/dbraw/zinc/82/23/78/973822378.db2.gz SORJRVROIFJLAZ-LLVKDONJSA-N 1 2 298.818 1.460 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1cnn(C)c1C ZINC001498306995 973822386 /nfs/dbraw/zinc/82/23/86/973822386.db2.gz SORJRVROIFJLAZ-LLVKDONJSA-N 1 2 298.818 1.460 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001377542946 975069278 /nfs/dbraw/zinc/06/92/78/975069278.db2.gz UVXSPJSXLOFQMH-CYBMUJFWSA-N 1 2 290.766 1.448 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001377542946 975069282 /nfs/dbraw/zinc/06/92/82/975069282.db2.gz UVXSPJSXLOFQMH-CYBMUJFWSA-N 1 2 290.766 1.448 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc(OC)ccn1 ZINC001379086316 975652367 /nfs/dbraw/zinc/65/23/67/975652367.db2.gz VZARLFPEHMTLOG-UHFFFAOYSA-N 1 2 297.786 1.847 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc(OC)ccn1 ZINC001379086316 975652369 /nfs/dbraw/zinc/65/23/69/975652369.db2.gz VZARLFPEHMTLOG-UHFFFAOYSA-N 1 2 297.786 1.847 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)C1CC[NH+](Cc2cscn2)CC1 ZINC001389326977 975770084 /nfs/dbraw/zinc/77/00/84/975770084.db2.gz DOWXTJUURAZNGL-NSHDSACASA-N 1 2 292.408 1.726 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](C)Oc1cccnc1 ZINC001390815899 976530293 /nfs/dbraw/zinc/53/02/93/976530293.db2.gz XLEDTTGUTWLQLC-LBPRGKRZSA-N 1 2 297.786 1.649 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](C)Oc1cccnc1 ZINC001390815899 976530303 /nfs/dbraw/zinc/53/03/03/976530303.db2.gz XLEDTTGUTWLQLC-LBPRGKRZSA-N 1 2 297.786 1.649 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](C)Oc1cccnc1 ZINC001390815894 976530446 /nfs/dbraw/zinc/53/04/46/976530446.db2.gz XLEDTTGUTWLQLC-GFCCVEGCSA-N 1 2 297.786 1.649 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](C)Oc1cccnc1 ZINC001390815894 976530457 /nfs/dbraw/zinc/53/04/57/976530457.db2.gz XLEDTTGUTWLQLC-GFCCVEGCSA-N 1 2 297.786 1.649 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cn(CC)cn1 ZINC001381613460 976948101 /nfs/dbraw/zinc/94/81/01/976948101.db2.gz XOWBMNTZOSIAHR-LLVKDONJSA-N 1 2 284.791 1.706 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cn(CC)cn1 ZINC001381613460 976948111 /nfs/dbraw/zinc/94/81/11/976948111.db2.gz XOWBMNTZOSIAHR-LLVKDONJSA-N 1 2 284.791 1.706 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)Cn2cccn2)C1 ZINC001391627930 977001127 /nfs/dbraw/zinc/00/11/27/977001127.db2.gz NDRIXRFPKUKVNA-CYBMUJFWSA-N 1 2 296.802 1.558 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)Cn2cccn2)C1 ZINC001391627930 977001134 /nfs/dbraw/zinc/00/11/34/977001134.db2.gz NDRIXRFPKUKVNA-CYBMUJFWSA-N 1 2 296.802 1.558 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(OC)ns1 ZINC001403567188 977070287 /nfs/dbraw/zinc/07/02/87/977070287.db2.gz OVANOUDJGKVWBB-UHFFFAOYSA-N 1 2 289.788 1.566 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(OC)ns1 ZINC001403567188 977070292 /nfs/dbraw/zinc/07/02/92/977070292.db2.gz OVANOUDJGKVWBB-UHFFFAOYSA-N 1 2 289.788 1.566 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1conc1C ZINC001403913035 977258199 /nfs/dbraw/zinc/25/81/99/977258199.db2.gz YQTQMECRCOLCLI-UHFFFAOYSA-N 1 2 271.748 1.787 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1conc1C ZINC001403913035 977258205 /nfs/dbraw/zinc/25/82/05/977258205.db2.gz YQTQMECRCOLCLI-UHFFFAOYSA-N 1 2 271.748 1.787 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1nccn1CC ZINC001394047369 978031666 /nfs/dbraw/zinc/03/16/66/978031666.db2.gz AUNQXWUNVGCHTM-LLVKDONJSA-N 1 2 284.791 1.706 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1nccn1CC ZINC001394047369 978031676 /nfs/dbraw/zinc/03/16/76/978031676.db2.gz AUNQXWUNVGCHTM-LLVKDONJSA-N 1 2 284.791 1.706 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2csnn2)cc1 ZINC001132215842 1163201297 /nfs/dbraw/zinc/20/12/97/1163201297.db2.gz OFBHFPBXDLGZIG-UHFFFAOYSA-N 1 2 286.360 1.039 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001132395516 1163265169 /nfs/dbraw/zinc/26/51/69/1163265169.db2.gz DNWKKMYZDPZSHR-UHFFFAOYSA-N 1 2 266.345 1.050 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+][C@H](C)c1nc(C2CC2)no1 ZINC001132398937 1163266289 /nfs/dbraw/zinc/26/62/89/1163266289.db2.gz VKAFOCULRXLCEH-SNVBAGLBSA-N 1 2 292.383 1.926 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001132403945 1163271105 /nfs/dbraw/zinc/27/11/05/1163271105.db2.gz LMTIABJBALRPIR-UHFFFAOYSA-N 1 2 278.356 1.365 20 30 CDEDLO CC#CCCCC(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001132591250 1163393733 /nfs/dbraw/zinc/39/37/33/1163393733.db2.gz KIFLAALKONQBPG-UHFFFAOYSA-N 1 2 277.368 1.691 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H](CC[NH2+]Cc2c[nH]nn2)C1 ZINC001575062494 1171100541 /nfs/dbraw/zinc/10/05/41/1171100541.db2.gz SPKMBMWVXGLQIE-GFCCVEGCSA-N 1 2 291.399 1.345 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H](CC[NH2+]Cc2cn[nH]n2)C1 ZINC001575062494 1171100547 /nfs/dbraw/zinc/10/05/47/1171100547.db2.gz SPKMBMWVXGLQIE-GFCCVEGCSA-N 1 2 291.399 1.345 20 30 CDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CCCCCC#N ZINC000588166808 342493865 /nfs/dbraw/zinc/49/38/65/342493865.db2.gz VNPDKMWCVOUWJU-GJZGRUSLSA-N 1 2 293.411 1.782 20 30 CDEDLO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CCC#N ZINC000573317275 334926988 /nfs/dbraw/zinc/92/69/88/334926988.db2.gz DOZWWFIQIQBBMI-LBPRGKRZSA-N 1 2 266.366 1.742 20 30 CDEDLO CC1(C)C[C@]1(C#N)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000589980963 342518008 /nfs/dbraw/zinc/51/80/08/342518008.db2.gz POZCPRHZFHYGSU-QMTHXVAHSA-N 1 2 258.325 1.254 20 30 CDEDLO Cc1noc([C@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000590004545 342518789 /nfs/dbraw/zinc/51/87/89/342518789.db2.gz GWERCTGXGKVICL-GXFFZTMASA-N 1 2 299.334 1.859 20 30 CDEDLO Cc1noc([C@H](C)[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000590004545 342518790 /nfs/dbraw/zinc/51/87/90/342518790.db2.gz GWERCTGXGKVICL-GXFFZTMASA-N 1 2 299.334 1.859 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000590022612 342520244 /nfs/dbraw/zinc/52/02/44/342520244.db2.gz KKECMFUVAVDULN-QWHCGFSZSA-N 1 2 253.342 1.463 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000590022612 342520245 /nfs/dbraw/zinc/52/02/45/342520245.db2.gz KKECMFUVAVDULN-QWHCGFSZSA-N 1 2 253.342 1.463 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000590120603 342522215 /nfs/dbraw/zinc/52/22/15/342522215.db2.gz GINHLMWPYUEFMR-KGLIPLIRSA-N 1 2 263.337 1.249 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000590120603 342522216 /nfs/dbraw/zinc/52/22/16/342522216.db2.gz GINHLMWPYUEFMR-KGLIPLIRSA-N 1 2 263.337 1.249 20 30 CDEDLO C=CCOCC[N@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC000590160414 342523415 /nfs/dbraw/zinc/52/34/15/342523415.db2.gz ZOZOQQJOVLBFQU-UHFFFAOYSA-N 1 2 261.321 1.991 20 30 CDEDLO C=CCOCC[N@@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC000590160414 342523416 /nfs/dbraw/zinc/52/34/16/342523416.db2.gz ZOZOQQJOVLBFQU-UHFFFAOYSA-N 1 2 261.321 1.991 20 30 CDEDLO N#CC1CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000590483373 342563300 /nfs/dbraw/zinc/56/33/00/342563300.db2.gz CIUCZYUJYULBKJ-UHFFFAOYSA-N 1 2 266.304 1.527 20 30 CDEDLO CN(C)c1cccc(OC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000562736173 361739599 /nfs/dbraw/zinc/73/95/99/361739599.db2.gz GCEJTWLTPAXLII-AWEZNQCLSA-N 1 2 277.368 1.338 20 30 CDEDLO CN(C)c1cccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000562736173 361739601 /nfs/dbraw/zinc/73/96/01/361739601.db2.gz GCEJTWLTPAXLII-AWEZNQCLSA-N 1 2 277.368 1.338 20 30 CDEDLO CCOC[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000618751538 349522524 /nfs/dbraw/zinc/52/25/24/349522524.db2.gz FAGHLBTZYFZBMX-HNNXBMFYSA-N 1 2 290.363 1.877 20 30 CDEDLO CCOC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000618751538 349522529 /nfs/dbraw/zinc/52/25/29/349522529.db2.gz FAGHLBTZYFZBMX-HNNXBMFYSA-N 1 2 290.363 1.877 20 30 CDEDLO CCc1nnc(N2CCc3[nH+]c[nH]c3C2)c(C#N)c1CC ZINC000590567901 342576158 /nfs/dbraw/zinc/57/61/58/342576158.db2.gz WGYFPDBEUJUGDC-UHFFFAOYSA-N 1 2 282.351 1.759 20 30 CDEDLO N#CCC1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000591153057 342619798 /nfs/dbraw/zinc/61/97/98/342619798.db2.gz UHOIVTVVNLGTHQ-UHFFFAOYSA-N 1 2 259.313 1.411 20 30 CDEDLO N#CCC1CCN(c2[nH+]cnc3c2OCCN3)CC1 ZINC000591153057 342619799 /nfs/dbraw/zinc/61/97/99/342619799.db2.gz UHOIVTVVNLGTHQ-UHFFFAOYSA-N 1 2 259.313 1.411 20 30 CDEDLO CCS(=O)(=O)CC[N@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000118394918 361826932 /nfs/dbraw/zinc/82/69/32/361826932.db2.gz YXRYJKIBUSUOIQ-GFCCVEGCSA-N 1 2 280.393 1.986 20 30 CDEDLO CCS(=O)(=O)CC[N@@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000118394918 361826935 /nfs/dbraw/zinc/82/69/35/361826935.db2.gz YXRYJKIBUSUOIQ-GFCCVEGCSA-N 1 2 280.393 1.986 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H]1CCOC1 ZINC000083252926 178370213 /nfs/dbraw/zinc/37/02/13/178370213.db2.gz CBGUFRDSMXNMQL-HIFRSBDPSA-N 1 2 288.347 1.741 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCOC1 ZINC000083252926 178370215 /nfs/dbraw/zinc/37/02/15/178370215.db2.gz CBGUFRDSMXNMQL-HIFRSBDPSA-N 1 2 288.347 1.741 20 30 CDEDLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592146970 342673662 /nfs/dbraw/zinc/67/36/62/342673662.db2.gz HGRVHOMCRPYZMN-XJKSGUPXSA-N 1 2 287.363 1.673 20 30 CDEDLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592146970 342673664 /nfs/dbraw/zinc/67/36/64/342673664.db2.gz HGRVHOMCRPYZMN-XJKSGUPXSA-N 1 2 287.363 1.673 20 30 CDEDLO COC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151264 342668942 /nfs/dbraw/zinc/66/89/42/342668942.db2.gz LBWPTOHWMWYBQY-HIFRSBDPSA-N 1 2 274.320 1.251 20 30 CDEDLO COC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151264 342668943 /nfs/dbraw/zinc/66/89/43/342668943.db2.gz LBWPTOHWMWYBQY-HIFRSBDPSA-N 1 2 274.320 1.251 20 30 CDEDLO C=CC[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066561080 342172535 /nfs/dbraw/zinc/17/25/35/342172535.db2.gz AKPSPNFIHLUMMX-OAHLLOKOSA-N 1 2 290.388 1.733 20 30 CDEDLO C=CC[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066561080 342172536 /nfs/dbraw/zinc/17/25/36/342172536.db2.gz AKPSPNFIHLUMMX-OAHLLOKOSA-N 1 2 290.388 1.733 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000339750534 361870242 /nfs/dbraw/zinc/87/02/42/361870242.db2.gz NNLSFRGXSGIWFX-HUUCEWRRSA-N 1 2 280.412 1.653 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000339750534 361870246 /nfs/dbraw/zinc/87/02/46/361870246.db2.gz NNLSFRGXSGIWFX-HUUCEWRRSA-N 1 2 280.412 1.653 20 30 CDEDLO CC[C@H]1COC(C)(C)C[N@@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC000593056878 342760408 /nfs/dbraw/zinc/76/04/08/342760408.db2.gz QKVOGQYLAHUETQ-KBPBESRZSA-N 1 2 295.427 1.884 20 30 CDEDLO CC[C@H]1COC(C)(C)C[N@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC000593056878 342760409 /nfs/dbraw/zinc/76/04/09/342760409.db2.gz QKVOGQYLAHUETQ-KBPBESRZSA-N 1 2 295.427 1.884 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)[C@H](CC)CO1 ZINC000593059680 342760542 /nfs/dbraw/zinc/76/05/42/342760542.db2.gz SGTUPPMNQIUTBJ-CHWSQXEVSA-N 1 2 279.384 1.438 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)[C@H](CC)CO1 ZINC000593059680 342760543 /nfs/dbraw/zinc/76/05/43/342760543.db2.gz SGTUPPMNQIUTBJ-CHWSQXEVSA-N 1 2 279.384 1.438 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)CO1 ZINC000593065200 342761828 /nfs/dbraw/zinc/76/18/28/342761828.db2.gz ZGTARGVAAXSTAL-GUTXKFCHSA-N 1 2 281.400 1.540 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)CO1 ZINC000593065200 342761829 /nfs/dbraw/zinc/76/18/29/342761829.db2.gz ZGTARGVAAXSTAL-GUTXKFCHSA-N 1 2 281.400 1.540 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000593471616 342804218 /nfs/dbraw/zinc/80/42/18/342804218.db2.gz HOXZHRPSJYSHBZ-UONOGXRCSA-N 1 2 286.379 1.837 20 30 CDEDLO CC[C@@H](C#N)C(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000593743179 342827292 /nfs/dbraw/zinc/82/72/92/342827292.db2.gz VUUHEHXPBBGOQD-LBPRGKRZSA-N 1 2 267.373 1.105 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000594008949 342863013 /nfs/dbraw/zinc/86/30/13/342863013.db2.gz RKDQNDTUXMKQIS-KFWWJZLASA-N 1 2 295.427 1.980 20 30 CDEDLO N#Cc1ccc(N2CC[C@H]([NH2+][C@H]3CCC[C@H]3C#N)C2=O)cc1 ZINC000333186123 539051417 /nfs/dbraw/zinc/05/14/17/539051417.db2.gz SYGAQJYVWCPPRM-BPUTZDHNSA-N 1 2 294.358 1.945 20 30 CDEDLO N#Cc1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)nc1N ZINC000594548884 342916194 /nfs/dbraw/zinc/91/61/94/342916194.db2.gz UMMRCQGFFOQNBP-GFCCVEGCSA-N 1 2 268.324 1.573 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000619179843 349647724 /nfs/dbraw/zinc/64/77/24/349647724.db2.gz GVNFILFQSIEJCG-STQMWFEESA-N 1 2 293.411 1.684 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000619179843 349647727 /nfs/dbraw/zinc/64/77/27/349647727.db2.gz GVNFILFQSIEJCG-STQMWFEESA-N 1 2 293.411 1.684 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595609561 343108350 /nfs/dbraw/zinc/10/83/50/343108350.db2.gz MGVIFANQGQGEHE-CYBMUJFWSA-N 1 2 289.383 1.601 20 30 CDEDLO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595609561 343108351 /nfs/dbraw/zinc/10/83/51/343108351.db2.gz MGVIFANQGQGEHE-CYBMUJFWSA-N 1 2 289.383 1.601 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1)C1CC1 ZINC000595608944 343108591 /nfs/dbraw/zinc/10/85/91/343108591.db2.gz CSEWVRHJQFWDQJ-IUODEOHRSA-N 1 2 274.368 1.421 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H](CC#N)C1)C1CC1 ZINC000595608944 343108593 /nfs/dbraw/zinc/10/85/93/343108593.db2.gz CSEWVRHJQFWDQJ-IUODEOHRSA-N 1 2 274.368 1.421 20 30 CDEDLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000120461888 362065994 /nfs/dbraw/zinc/06/59/94/362065994.db2.gz PHJYVFJZFXNUEU-UHFFFAOYSA-N 1 2 289.379 1.867 20 30 CDEDLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000120461888 362065998 /nfs/dbraw/zinc/06/59/98/362065998.db2.gz PHJYVFJZFXNUEU-UHFFFAOYSA-N 1 2 289.379 1.867 20 30 CDEDLO Cc1ccc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c(C)n1 ZINC000329929367 362094573 /nfs/dbraw/zinc/09/45/73/362094573.db2.gz NKJNOZJDHGNUIA-KBPBESRZSA-N 1 2 290.367 1.259 20 30 CDEDLO Cc1ccc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c(C)n1 ZINC000329929367 362094574 /nfs/dbraw/zinc/09/45/74/362094574.db2.gz NKJNOZJDHGNUIA-KBPBESRZSA-N 1 2 290.367 1.259 20 30 CDEDLO C=C(Cl)CNC(=O)NCCNc1cccc[nH+]1 ZINC000077791371 342332311 /nfs/dbraw/zinc/33/23/11/342332311.db2.gz NEHXHSYGIQZIBY-UHFFFAOYSA-N 1 2 254.721 1.545 20 30 CDEDLO C=CC[N@H+](Cc1oncc1C(=O)OC)[C@@H](C)COC ZINC000595639856 343123622 /nfs/dbraw/zinc/12/36/22/343123622.db2.gz XWYAMUQPGCMQHC-JTQLQIEISA-N 1 2 268.313 1.484 20 30 CDEDLO C=CC[N@@H+](Cc1oncc1C(=O)OC)[C@@H](C)COC ZINC000595639856 343123623 /nfs/dbraw/zinc/12/36/23/343123623.db2.gz XWYAMUQPGCMQHC-JTQLQIEISA-N 1 2 268.313 1.484 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595748618 343151675 /nfs/dbraw/zinc/15/16/75/343151675.db2.gz XVMDGTIIMRJQGT-ARFHVFGLSA-N 1 2 289.375 1.812 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595748618 343151676 /nfs/dbraw/zinc/15/16/76/343151676.db2.gz XVMDGTIIMRJQGT-ARFHVFGLSA-N 1 2 289.375 1.812 20 30 CDEDLO Cc1nsc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c1C#N ZINC000596432727 343319854 /nfs/dbraw/zinc/31/98/54/343319854.db2.gz SGHZHADJXVZPDM-VHSXEESVSA-N 1 2 280.397 1.844 20 30 CDEDLO Cc1nsc(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1C#N ZINC000596432727 343319857 /nfs/dbraw/zinc/31/98/57/343319857.db2.gz SGHZHADJXVZPDM-VHSXEESVSA-N 1 2 280.397 1.844 20 30 CDEDLO CCc1nc(C#N)cc(NCCc2[nH+]cc(C)cc2C)n1 ZINC000596300059 343292108 /nfs/dbraw/zinc/29/21/08/343292108.db2.gz SRDMLTMNFXHKHM-UHFFFAOYSA-N 1 2 281.363 1.999 20 30 CDEDLO Cc1cc(N[C@@H]2CCC[C@@H]([S@@](C)=O)C2)c(C#N)c[nH+]1 ZINC000596365477 343305445 /nfs/dbraw/zinc/30/54/45/343305445.db2.gz IZJKIIZKZVNTMU-VLXJIEOASA-N 1 2 277.393 1.785 20 30 CDEDLO N#CCCN(CCC#N)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000596892466 343410071 /nfs/dbraw/zinc/41/00/71/343410071.db2.gz FGYWUONJOFDNLG-GFCCVEGCSA-N 1 2 271.324 1.101 20 30 CDEDLO CC(C)C[C@H](C#N)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597073133 343439019 /nfs/dbraw/zinc/43/90/19/343439019.db2.gz DSVOTLLRDIYVSB-GHMZBOCLSA-N 1 2 260.341 1.569 20 30 CDEDLO CC(C)C[C@H](C#N)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597073133 343439021 /nfs/dbraw/zinc/43/90/21/343439021.db2.gz DSVOTLLRDIYVSB-GHMZBOCLSA-N 1 2 260.341 1.569 20 30 CDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccccn1 ZINC000155685690 136395469 /nfs/dbraw/zinc/39/54/69/136395469.db2.gz UTRFJDNUDLLVGO-CYBMUJFWSA-N 1 2 294.362 1.454 20 30 CDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccccn1 ZINC000155685690 136395470 /nfs/dbraw/zinc/39/54/70/136395470.db2.gz UTRFJDNUDLLVGO-CYBMUJFWSA-N 1 2 294.362 1.454 20 30 CDEDLO N#CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CCCC1 ZINC000597276296 343496350 /nfs/dbraw/zinc/49/63/50/343496350.db2.gz GUYYHMQIDYSAEK-GFCCVEGCSA-N 1 2 272.352 1.740 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)Cn2cc3ccccc3n2)C1 ZINC000330156831 529788020 /nfs/dbraw/zinc/78/80/20/529788020.db2.gz PHUDZDIKDBBILI-CYBMUJFWSA-N 1 2 288.351 1.323 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)Cn2cc3ccccc3n2)C1 ZINC000330156831 529788021 /nfs/dbraw/zinc/78/80/21/529788021.db2.gz PHUDZDIKDBBILI-CYBMUJFWSA-N 1 2 288.351 1.323 20 30 CDEDLO C[C@@H](C#N)N(C(=O)C1CC[NH+](CC(F)F)CC1)C1CC1 ZINC000598135936 343724775 /nfs/dbraw/zinc/72/47/75/343724775.db2.gz DLOGSUBBHYMMRG-JTQLQIEISA-N 1 2 285.338 1.867 20 30 CDEDLO C[C@@H](NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1[nH+]ccn1C ZINC000598460964 343805355 /nfs/dbraw/zinc/80/53/55/343805355.db2.gz YBBNHTZOQMHTBB-VXGBXAGGSA-N 1 2 298.346 1.936 20 30 CDEDLO COC(=O)C1([NH2+]C[C@H](O)CC(C)(C)C#N)CCCCC1 ZINC000598592185 343838457 /nfs/dbraw/zinc/83/84/57/343838457.db2.gz HGROIVZWSIKSPO-GFCCVEGCSA-N 1 2 282.384 1.753 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601726529 344238383 /nfs/dbraw/zinc/23/83/83/344238383.db2.gz ADQVQIAUDMZJRC-GFCCVEGCSA-N 1 2 273.336 1.196 20 30 CDEDLO CC(C)[C@H](C#N)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000602095435 344344629 /nfs/dbraw/zinc/34/46/29/344344629.db2.gz BSYSQQFVGFZBGR-ZDUSSCGKSA-N 1 2 284.319 1.856 20 30 CDEDLO N#CCC[N@@H+](Cc1cc2c(cn1)OCCO2)CC1CC1 ZINC000602464503 344440802 /nfs/dbraw/zinc/44/08/02/344440802.db2.gz YLLPLZAUGFXJIZ-UHFFFAOYSA-N 1 2 273.336 1.978 20 30 CDEDLO N#CCC[N@H+](Cc1cc2c(cn1)OCCO2)CC1CC1 ZINC000602464503 344440803 /nfs/dbraw/zinc/44/08/03/344440803.db2.gz YLLPLZAUGFXJIZ-UHFFFAOYSA-N 1 2 273.336 1.978 20 30 CDEDLO N#CCCN(Cc1cc2c(c[nH+]1)OCCO2)CC1CC1 ZINC000602464503 344440805 /nfs/dbraw/zinc/44/08/05/344440805.db2.gz YLLPLZAUGFXJIZ-UHFFFAOYSA-N 1 2 273.336 1.978 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000602865067 344638231 /nfs/dbraw/zinc/63/82/31/344638231.db2.gz VYIXXKIPTDBLMI-SECBINFHSA-N 1 2 264.329 1.802 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCCCN(C)c1ccccc1 ZINC000602865224 344638237 /nfs/dbraw/zinc/63/82/37/344638237.db2.gz UXUZPSPKHPWKHU-AWEZNQCLSA-N 1 2 288.395 1.521 20 30 CDEDLO C[C@H](CC#N)[NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000602870625 344641218 /nfs/dbraw/zinc/64/12/18/344641218.db2.gz UXHRIRBYKLUTSW-SECBINFHSA-N 1 2 276.727 1.740 20 30 CDEDLO CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612165165 347067907 /nfs/dbraw/zinc/06/79/07/347067907.db2.gz JHQOEUBTBOFAFT-HIFRSBDPSA-N 1 2 281.400 1.543 20 30 CDEDLO CCOCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612165165 347067912 /nfs/dbraw/zinc/06/79/12/347067912.db2.gz JHQOEUBTBOFAFT-HIFRSBDPSA-N 1 2 281.400 1.543 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000050091624 344982421 /nfs/dbraw/zinc/98/24/21/344982421.db2.gz UMVKCENJBIQIPQ-NSHDSACASA-N 1 2 299.334 1.974 20 30 CDEDLO CN1CC[C@@H]([N@H+](C)Cc2cn3ccccc3c2C#N)C1=O ZINC000265661307 362555857 /nfs/dbraw/zinc/55/58/57/362555857.db2.gz SAGXAXSINZQRGU-OAHLLOKOSA-N 1 2 282.347 1.473 20 30 CDEDLO CN1CC[C@@H]([N@@H+](C)Cc2cn3ccccc3c2C#N)C1=O ZINC000265661307 362555861 /nfs/dbraw/zinc/55/58/61/362555861.db2.gz SAGXAXSINZQRGU-OAHLLOKOSA-N 1 2 282.347 1.473 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000052073382 345229091 /nfs/dbraw/zinc/22/90/91/345229091.db2.gz YDBBKIVFRROSLW-NSHDSACASA-N 1 2 293.342 1.830 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000052073382 345229093 /nfs/dbraw/zinc/22/90/93/345229093.db2.gz YDBBKIVFRROSLW-NSHDSACASA-N 1 2 293.342 1.830 20 30 CDEDLO CC(C)[C@H](C#N)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000609539311 345596008 /nfs/dbraw/zinc/59/60/08/345596008.db2.gz XIKNDVCFILAGAP-ZDUSSCGKSA-N 1 2 261.373 1.086 20 30 CDEDLO C[N@H+](CC(=O)Nc1ccon1)Cc1cccc(C#N)c1 ZINC000046518361 345646023 /nfs/dbraw/zinc/64/60/23/345646023.db2.gz FSRZBGPWTJMIPW-UHFFFAOYSA-N 1 2 270.292 1.617 20 30 CDEDLO C[N@@H+](CC(=O)Nc1ccon1)Cc1cccc(C#N)c1 ZINC000046518361 345646027 /nfs/dbraw/zinc/64/60/27/345646027.db2.gz FSRZBGPWTJMIPW-UHFFFAOYSA-N 1 2 270.292 1.617 20 30 CDEDLO N#CCCN(Cc1ccco1)C(=O)CCc1c[nH+]c[nH]1 ZINC000276592344 345760617 /nfs/dbraw/zinc/76/06/17/345760617.db2.gz NGLIJAIYNFSUMW-UHFFFAOYSA-N 1 2 272.308 1.878 20 30 CDEDLO N#CCCN(Cc1ccco1)C(=O)CCc1c[nH]c[nH+]1 ZINC000276592344 345760621 /nfs/dbraw/zinc/76/06/21/345760621.db2.gz NGLIJAIYNFSUMW-UHFFFAOYSA-N 1 2 272.308 1.878 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617722111 345926149 /nfs/dbraw/zinc/92/61/49/345926149.db2.gz YCJHHMHOJMAOLX-STQMWFEESA-N 1 2 268.401 1.814 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617722111 345926152 /nfs/dbraw/zinc/92/61/52/345926152.db2.gz YCJHHMHOJMAOLX-STQMWFEESA-N 1 2 268.401 1.814 20 30 CDEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H](C)C#N ZINC000610015813 346057658 /nfs/dbraw/zinc/05/76/58/346057658.db2.gz AWAHPLGXGNQHDJ-ZDUSSCGKSA-N 1 2 287.363 1.925 20 30 CDEDLO Cn1cc(C#N)c(=NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)[nH]1 ZINC000610674772 346347186 /nfs/dbraw/zinc/34/71/86/346347186.db2.gz NSSGZMSOLIXFMM-NSHDSACASA-N 1 2 299.338 1.196 20 30 CDEDLO COc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1OC ZINC000584755685 346424288 /nfs/dbraw/zinc/42/42/88/346424288.db2.gz QLOCDMCADMLAOL-OAHLLOKOSA-N 1 2 291.351 1.277 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1ccc(OC)nc1 ZINC000611072276 346599280 /nfs/dbraw/zinc/59/92/80/346599280.db2.gz RAEBGVMATDDWDF-UHFFFAOYSA-N 1 2 290.367 1.284 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1ccc(OC)nc1 ZINC000611072276 346599282 /nfs/dbraw/zinc/59/92/82/346599282.db2.gz RAEBGVMATDDWDF-UHFFFAOYSA-N 1 2 290.367 1.284 20 30 CDEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000611101175 346608153 /nfs/dbraw/zinc/60/81/53/346608153.db2.gz FXOIQGLBKMPOQD-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO C[C@]1(C#N)CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000612364406 347132708 /nfs/dbraw/zinc/13/27/08/347132708.db2.gz AFEKPHUHBSUBLA-IUODEOHRSA-N 1 2 272.352 1.598 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000064797033 347472229 /nfs/dbraw/zinc/47/22/29/347472229.db2.gz CTZTZEZVOJVKMF-STQMWFEESA-N 1 2 291.370 1.964 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000064797033 347472239 /nfs/dbraw/zinc/47/22/39/347472239.db2.gz CTZTZEZVOJVKMF-STQMWFEESA-N 1 2 291.370 1.964 20 30 CDEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc(C#N)cs1 ZINC000093421927 290197124 /nfs/dbraw/zinc/19/71/24/290197124.db2.gz DAMLFCNOCQNLIH-NXEZZACHSA-N 1 2 286.422 1.873 20 30 CDEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000093421927 290197126 /nfs/dbraw/zinc/19/71/26/290197126.db2.gz DAMLFCNOCQNLIH-NXEZZACHSA-N 1 2 286.422 1.873 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(C(=O)N(C)CCCC)CC1 ZINC000619716201 348179099 /nfs/dbraw/zinc/17/90/99/348179099.db2.gz ALGJKYBEQAZGCG-AWEZNQCLSA-N 1 2 296.411 1.685 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCN(C)c1ccccc1 ZINC000619717866 348186267 /nfs/dbraw/zinc/18/62/67/348186267.db2.gz RSMZUHAYNZDUMQ-AWEZNQCLSA-N 1 2 262.353 1.782 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCN(C)c1ccccc1 ZINC000619717866 348186268 /nfs/dbraw/zinc/18/62/68/348186268.db2.gz RSMZUHAYNZDUMQ-AWEZNQCLSA-N 1 2 262.353 1.782 20 30 CDEDLO CC(C)N(CCC#N)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000615741903 348656058 /nfs/dbraw/zinc/65/60/58/348656058.db2.gz MWRGIYZOCTWXNU-GFCCVEGCSA-N 1 2 260.341 1.596 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1ccc(C#N)cc1 ZINC000058296572 348858429 /nfs/dbraw/zinc/85/84/29/348858429.db2.gz GLBXJWOFBOXARJ-YBJDMEARSA-N 1 2 280.331 1.973 20 30 CDEDLO CC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000263696744 362941028 /nfs/dbraw/zinc/94/10/28/362941028.db2.gz MNOZOXCLLPLGGS-SWLSCSKDSA-N 1 2 290.363 1.720 20 30 CDEDLO CC(=O)c1cccc(OC[C@H](O)C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000263696744 362941032 /nfs/dbraw/zinc/94/10/32/362941032.db2.gz MNOZOXCLLPLGGS-SWLSCSKDSA-N 1 2 290.363 1.720 20 30 CDEDLO CC[C@H](C#N)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000263858877 362947150 /nfs/dbraw/zinc/94/71/50/362947150.db2.gz XDQSAOHGLUQNHY-CQSZACIVSA-N 1 2 268.320 1.963 20 30 CDEDLO C[NH+](C)CCN1N=C(c2cccc(C#N)c2)CC1=O ZINC000601931412 350032774 /nfs/dbraw/zinc/03/27/74/350032774.db2.gz DWLPNZFPSVWRMI-UHFFFAOYSA-N 1 2 256.309 1.056 20 30 CDEDLO C[NH+](C)CCn1[nH]c(-c2cccc(C#N)c2)cc1=O ZINC000601931412 350032777 /nfs/dbraw/zinc/03/27/77/350032777.db2.gz DWLPNZFPSVWRMI-UHFFFAOYSA-N 1 2 256.309 1.056 20 30 CDEDLO Cn1cc(C[NH+]2CCN(Cc3cccc(C#N)n3)CC2)cn1 ZINC000602459227 350111476 /nfs/dbraw/zinc/11/14/76/350111476.db2.gz RUJLSQYFBHRASN-UHFFFAOYSA-N 1 2 296.378 1.005 20 30 CDEDLO Cc1cc(NC(=O)NCCCn2cc[nH+]c2)ncc1C#N ZINC000603119725 350200534 /nfs/dbraw/zinc/20/05/34/350200534.db2.gz MOYFXJSDJQNMTR-UHFFFAOYSA-N 1 2 284.323 1.092 20 30 CDEDLO Cc1cc(NC(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)ncc1C#N ZINC000603138737 350214582 /nfs/dbraw/zinc/21/45/82/350214582.db2.gz WJNFJURRFANEFT-CMPLNLGQSA-N 1 2 296.334 1.708 20 30 CDEDLO CC#CCNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000135597127 187841632 /nfs/dbraw/zinc/84/16/32/187841632.db2.gz HZUSBBLQBBXHRM-UHFFFAOYSA-N 1 2 296.374 1.948 20 30 CDEDLO COc1ccc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)cc1C#N ZINC000168019781 363201017 /nfs/dbraw/zinc/20/10/17/363201017.db2.gz CIAXGZRFNUYMCN-RISCZKNCSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1ccc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)cc1C#N ZINC000168019781 363201021 /nfs/dbraw/zinc/20/10/21/363201021.db2.gz CIAXGZRFNUYMCN-RISCZKNCSA-N 1 2 276.336 1.148 20 30 CDEDLO C[C@@H](O)C[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000156988901 188291688 /nfs/dbraw/zinc/29/16/88/188291688.db2.gz MGVOSGLDORIEEG-RISCZKNCSA-N 1 2 278.327 1.669 20 30 CDEDLO C[C@@H](O)C[C@H]1COCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000156988901 188291690 /nfs/dbraw/zinc/29/16/90/188291690.db2.gz MGVOSGLDORIEEG-RISCZKNCSA-N 1 2 278.327 1.669 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000157938258 188347581 /nfs/dbraw/zinc/34/75/81/188347581.db2.gz HPJTZTZQCDCADX-UHFFFAOYSA-N 1 2 296.168 1.738 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000157938258 188347582 /nfs/dbraw/zinc/34/75/82/188347582.db2.gz HPJTZTZQCDCADX-UHFFFAOYSA-N 1 2 296.168 1.738 20 30 CDEDLO C=CCCS(=O)(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000352329140 363226232 /nfs/dbraw/zinc/22/62/32/363226232.db2.gz KKLVYURIUFCEMM-UHFFFAOYSA-N 1 2 294.420 1.709 20 30 CDEDLO C=CCCS(=O)(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000352329140 363226235 /nfs/dbraw/zinc/22/62/35/363226235.db2.gz KKLVYURIUFCEMM-UHFFFAOYSA-N 1 2 294.420 1.709 20 30 CDEDLO CC(C)Cc1nnc(NC(=O)C[N@H+](C)CCCC#N)s1 ZINC000352351665 363244124 /nfs/dbraw/zinc/24/41/24/363244124.db2.gz ZFCHYEHXYCJWJB-UHFFFAOYSA-N 1 2 295.412 1.911 20 30 CDEDLO CC(C)Cc1nnc(NC(=O)C[N@@H+](C)CCCC#N)s1 ZINC000352351665 363244130 /nfs/dbraw/zinc/24/41/30/363244130.db2.gz ZFCHYEHXYCJWJB-UHFFFAOYSA-N 1 2 295.412 1.911 20 30 CDEDLO C=CCCC[N@H+]1CC[S@](=O)C[C@@H]1c1cnn(CC)c1 ZINC000488222198 366097512 /nfs/dbraw/zinc/09/75/12/366097512.db2.gz XOQNAXNIVIWCQR-KUHUBIRLSA-N 1 2 281.425 1.975 20 30 CDEDLO C=CCCC[N@@H+]1CC[S@](=O)C[C@@H]1c1cnn(CC)c1 ZINC000488222198 366097515 /nfs/dbraw/zinc/09/75/15/366097515.db2.gz XOQNAXNIVIWCQR-KUHUBIRLSA-N 1 2 281.425 1.975 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000355503131 366107510 /nfs/dbraw/zinc/10/75/10/366107510.db2.gz IZSUCDHWAKRFOW-GXTWGEPZSA-N 1 2 267.373 1.105 20 30 CDEDLO COc1cncc(/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000493116766 366193539 /nfs/dbraw/zinc/19/35/39/366193539.db2.gz BSOKJKBSKCZXBM-NFAHFFEMSA-N 1 2 288.351 1.063 20 30 CDEDLO N#Cc1cc([N+](=O)[O-])ccc1N1CCn2c[nH+]cc2C1 ZINC000377990356 283112492 /nfs/dbraw/zinc/11/24/92/283112492.db2.gz PBTZXCDKGBEMQB-UHFFFAOYSA-N 1 2 269.264 1.683 20 30 CDEDLO C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)c(O)c2)c2[nH+]ccn21 ZINC000456415211 291078534 /nfs/dbraw/zinc/07/85/34/291078534.db2.gz JETJTFBJFFHUAY-JOYOIKCWSA-N 1 2 282.303 1.896 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cnn(C)c1 ZINC000032539890 356101919 /nfs/dbraw/zinc/10/19/19/356101919.db2.gz MHAYDGUHMSAHKO-GFCCVEGCSA-N 1 2 297.362 1.751 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cnn(C)c1 ZINC000032539890 356101922 /nfs/dbraw/zinc/10/19/22/356101922.db2.gz MHAYDGUHMSAHKO-GFCCVEGCSA-N 1 2 297.362 1.751 20 30 CDEDLO CC1(C)C[S@](=O)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000336420791 356171049 /nfs/dbraw/zinc/17/10/49/356171049.db2.gz VWBKZBLUQOJBQS-GOSISDBHSA-N 1 2 262.378 1.901 20 30 CDEDLO CC1(C)C[S@](=O)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000336420791 356171051 /nfs/dbraw/zinc/17/10/51/356171051.db2.gz VWBKZBLUQOJBQS-GOSISDBHSA-N 1 2 262.378 1.901 20 30 CDEDLO N#Cc1cccc(F)c1CC(=O)N1CCn2cc[nH+]c2C1 ZINC000336321384 356140685 /nfs/dbraw/zinc/14/06/85/356140685.db2.gz YXAWJCIGAQNBAX-UHFFFAOYSA-N 1 2 284.294 1.479 20 30 CDEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000298499772 356875211 /nfs/dbraw/zinc/87/52/11/356875211.db2.gz UPCKCPGZIMTWSQ-GFCCVEGCSA-N 1 2 290.363 1.944 20 30 CDEDLO CC#CC[N@H+](C)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000298499772 356875213 /nfs/dbraw/zinc/87/52/13/356875213.db2.gz UPCKCPGZIMTWSQ-GFCCVEGCSA-N 1 2 290.363 1.944 20 30 CDEDLO C[C@H](c1nncn1C)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344062406 356877839 /nfs/dbraw/zinc/87/78/39/356877839.db2.gz BMIJHSPDCWENRN-CYBMUJFWSA-N 1 2 299.378 1.896 20 30 CDEDLO C[C@H](c1nncn1C)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344062406 356877842 /nfs/dbraw/zinc/87/78/42/356877842.db2.gz BMIJHSPDCWENRN-CYBMUJFWSA-N 1 2 299.378 1.896 20 30 CDEDLO C=C(Cl)C[N@@H+](CCC(=O)OC)CC(OC)OC ZINC000299147196 356977152 /nfs/dbraw/zinc/97/71/52/356977152.db2.gz WRPQWORPLVTIBV-UHFFFAOYSA-N 1 2 265.737 1.223 20 30 CDEDLO C=C(Cl)C[N@H+](CCC(=O)OC)CC(OC)OC ZINC000299147196 356977154 /nfs/dbraw/zinc/97/71/54/356977154.db2.gz WRPQWORPLVTIBV-UHFFFAOYSA-N 1 2 265.737 1.223 20 30 CDEDLO C=CCSCCNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000299308020 357018243 /nfs/dbraw/zinc/01/82/43/357018243.db2.gz QVDFZWCEXQLVPV-UHFFFAOYSA-N 1 2 294.424 1.866 20 30 CDEDLO CC[C@H](C)[C@H](C)[NH2+]CCNC(O)=C1N=CC=CC1=O ZINC000180876538 357291534 /nfs/dbraw/zinc/29/15/34/357291534.db2.gz OIDDWFLYPJQKLQ-GQVKIEHUSA-N 1 2 265.357 1.537 20 30 CDEDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000335697569 357948704 /nfs/dbraw/zinc/94/87/04/357948704.db2.gz NTZATICRNJWZKO-KZULUSFZSA-N 1 2 262.378 1.901 20 30 CDEDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000335697569 357948705 /nfs/dbraw/zinc/94/87/05/357948705.db2.gz NTZATICRNJWZKO-KZULUSFZSA-N 1 2 262.378 1.901 20 30 CDEDLO N#CC1CC[NH+]([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000157170486 358201771 /nfs/dbraw/zinc/20/17/71/358201771.db2.gz HDZXXHKGKBOSNC-LLVKDONJSA-N 1 2 289.301 1.775 20 30 CDEDLO CC(C)c1nnc(/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C)o1 ZINC000493489120 366407188 /nfs/dbraw/zinc/40/71/88/366407188.db2.gz UZISSTAZFFPXGT-AFNCTOJWSA-N 1 2 291.355 1.166 20 30 CDEDLO Cn1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)nn1 ZINC000341614328 358690340 /nfs/dbraw/zinc/69/03/40/358690340.db2.gz YYOUFOOUZSBMEQ-UHFFFAOYSA-N 1 2 267.336 1.851 20 30 CDEDLO Cn1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)nn1 ZINC000341614328 358690341 /nfs/dbraw/zinc/69/03/41/358690341.db2.gz YYOUFOOUZSBMEQ-UHFFFAOYSA-N 1 2 267.336 1.851 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1ccccc1 ZINC000493717666 366489619 /nfs/dbraw/zinc/48/96/19/366489619.db2.gz GDRUMDNFYNYHOQ-FEAKQIBJSA-N 1 2 257.337 1.660 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000603196746 358891043 /nfs/dbraw/zinc/89/10/43/358891043.db2.gz NWFHNKYNDQWSHC-UHFFFAOYSA-N 1 2 299.334 1.542 20 30 CDEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cccc(C#N)c1 ZINC000291186709 358891103 /nfs/dbraw/zinc/89/11/03/358891103.db2.gz CMHVCBRSDTXLAS-CZUORRHYSA-N 1 2 299.374 1.493 20 30 CDEDLO CCOC(=O)C[N@@H+](CC(=O)NC1(C#N)CCC1)CC(C)C ZINC000346825414 359095739 /nfs/dbraw/zinc/09/57/39/359095739.db2.gz MPVWBXWJOUOFKV-UHFFFAOYSA-N 1 2 295.383 1.070 20 30 CDEDLO CCOC(=O)C[N@H+](CC(=O)NC1(C#N)CCC1)CC(C)C ZINC000346825414 359095745 /nfs/dbraw/zinc/09/57/45/359095745.db2.gz MPVWBXWJOUOFKV-UHFFFAOYSA-N 1 2 295.383 1.070 20 30 CDEDLO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccoc1 ZINC000345105550 359168162 /nfs/dbraw/zinc/16/81/62/359168162.db2.gz FNESQFKXAGVASQ-UHFFFAOYSA-N 1 2 283.331 1.899 20 30 CDEDLO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccoc1 ZINC000345105550 359168168 /nfs/dbraw/zinc/16/81/68/359168168.db2.gz FNESQFKXAGVASQ-UHFFFAOYSA-N 1 2 283.331 1.899 20 30 CDEDLO CC(=O)NCC[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000570159958 359287826 /nfs/dbraw/zinc/28/78/26/359287826.db2.gz RKIACSAXKHUUID-UHFFFAOYSA-N 1 2 299.334 1.176 20 30 CDEDLO CC(=O)NCC[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000570159958 359287833 /nfs/dbraw/zinc/28/78/33/359287833.db2.gz RKIACSAXKHUUID-UHFFFAOYSA-N 1 2 299.334 1.176 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000276843550 359550962 /nfs/dbraw/zinc/55/09/62/359550962.db2.gz SLHXONVREKEOMM-NSHDSACASA-N 1 2 258.321 1.781 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000276843550 359550965 /nfs/dbraw/zinc/55/09/65/359550965.db2.gz SLHXONVREKEOMM-NSHDSACASA-N 1 2 258.321 1.781 20 30 CDEDLO CC#CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000277636435 359569939 /nfs/dbraw/zinc/56/99/39/359569939.db2.gz ZFGDKWIUFWPWMO-UHFFFAOYSA-N 1 2 272.348 1.158 20 30 CDEDLO CC#CC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000278373188 359579967 /nfs/dbraw/zinc/57/99/67/359579967.db2.gz MMMIWRMGTPBTPL-UHFFFAOYSA-N 1 2 267.332 1.765 20 30 CDEDLO CCN1CC[N@H+](Cc2ccc(C#N)o2)C[C@H]1c1ncc[nH]1 ZINC000355331789 359580898 /nfs/dbraw/zinc/58/08/98/359580898.db2.gz NDZGLLLVPCRPQE-AWEZNQCLSA-N 1 2 285.351 1.753 20 30 CDEDLO CCN1CC[N@@H+](Cc2ccc(C#N)o2)C[C@H]1c1ncc[nH]1 ZINC000355331789 359580902 /nfs/dbraw/zinc/58/09/02/359580902.db2.gz NDZGLLLVPCRPQE-AWEZNQCLSA-N 1 2 285.351 1.753 20 30 CDEDLO COC(=O)C[N@H+](Cc1ccc(C#N)cn1)C1CCOCC1 ZINC000571772581 359611471 /nfs/dbraw/zinc/61/14/71/359611471.db2.gz DVXCGTDXAWDOHN-UHFFFAOYSA-N 1 2 289.335 1.107 20 30 CDEDLO COC(=O)C[N@@H+](Cc1ccc(C#N)cn1)C1CCOCC1 ZINC000571772581 359611473 /nfs/dbraw/zinc/61/14/73/359611473.db2.gz DVXCGTDXAWDOHN-UHFFFAOYSA-N 1 2 289.335 1.107 20 30 CDEDLO Cc1noc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)n1 ZINC000348069357 359772474 /nfs/dbraw/zinc/77/24/74/359772474.db2.gz BYMOZMDLTBBUDH-TVQRCGJNSA-N 1 2 279.344 1.083 20 30 CDEDLO C=CCOCCC[N@@H+]1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000348038232 359789047 /nfs/dbraw/zinc/78/90/47/359789047.db2.gz RYAOJWXADSLYDZ-GFCCVEGCSA-N 1 2 266.345 1.079 20 30 CDEDLO C=CCOCCC[N@H+]1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000348038232 359789050 /nfs/dbraw/zinc/78/90/50/359789050.db2.gz RYAOJWXADSLYDZ-GFCCVEGCSA-N 1 2 266.345 1.079 20 30 CDEDLO C=CCOCCC[N@@H+]1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000348038232 359789054 /nfs/dbraw/zinc/78/90/54/359789054.db2.gz RYAOJWXADSLYDZ-GFCCVEGCSA-N 1 2 266.345 1.079 20 30 CDEDLO C=CCOCCC[N@H+]1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000348038232 359789056 /nfs/dbraw/zinc/78/90/56/359789056.db2.gz RYAOJWXADSLYDZ-GFCCVEGCSA-N 1 2 266.345 1.079 20 30 CDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](O)C2)c(C#N)c1C ZINC000298060192 200325222 /nfs/dbraw/zinc/32/52/22/200325222.db2.gz AQZTYSWLKCLBQO-CMPLNLGQSA-N 1 2 291.351 1.552 20 30 CDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](O)C2)c(C#N)c1C ZINC000298060192 200325223 /nfs/dbraw/zinc/32/52/23/200325223.db2.gz AQZTYSWLKCLBQO-CMPLNLGQSA-N 1 2 291.351 1.552 20 30 CDEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](O)C2)c1C#N ZINC000562426016 359990054 /nfs/dbraw/zinc/99/00/54/359990054.db2.gz JDZTWMDHBUOCPT-LBPRGKRZSA-N 1 2 274.320 1.302 20 30 CDEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H](O)C2)c1C#N ZINC000562426016 359990055 /nfs/dbraw/zinc/99/00/55/359990055.db2.gz JDZTWMDHBUOCPT-LBPRGKRZSA-N 1 2 274.320 1.302 20 30 CDEDLO C[C@@H](C#N)CN(CC[N@@H+]1CCOC[C@H]1C)C1CC1 ZINC000337172297 360008261 /nfs/dbraw/zinc/00/82/61/360008261.db2.gz FHVUKJOMQRHZBB-QWHCGFSZSA-N 1 2 251.374 1.331 20 30 CDEDLO C[C@@H](C#N)CN(CC[N@H+]1CCOC[C@H]1C)C1CC1 ZINC000337172297 360008264 /nfs/dbraw/zinc/00/82/64/360008264.db2.gz FHVUKJOMQRHZBB-QWHCGFSZSA-N 1 2 251.374 1.331 20 30 CDEDLO C[C@@H](C#N)C[N@H+](CCN1CCOC[C@H]1C)C1CC1 ZINC000337172297 360008269 /nfs/dbraw/zinc/00/82/69/360008269.db2.gz FHVUKJOMQRHZBB-QWHCGFSZSA-N 1 2 251.374 1.331 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](CCN1CCOC[C@H]1C)C1CC1 ZINC000337172297 360008273 /nfs/dbraw/zinc/00/82/73/360008273.db2.gz FHVUKJOMQRHZBB-QWHCGFSZSA-N 1 2 251.374 1.331 20 30 CDEDLO C=CCN1CC[C@H](N(C)Cc2[nH+]ccn2CC)C1=O ZINC000337234707 360048223 /nfs/dbraw/zinc/04/82/23/360048223.db2.gz XCEMNSARAJANLZ-LBPRGKRZSA-N 1 2 262.357 1.122 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1ccnn1C ZINC000348409923 360058404 /nfs/dbraw/zinc/05/84/04/360058404.db2.gz RPSSZLFUVZVHHM-ZDUSSCGKSA-N 1 2 278.400 1.665 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1ccnn1C ZINC000348409923 360058408 /nfs/dbraw/zinc/05/84/08/360058408.db2.gz RPSSZLFUVZVHHM-ZDUSSCGKSA-N 1 2 278.400 1.665 20 30 CDEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCOC1=O ZINC000298252326 200372186 /nfs/dbraw/zinc/37/21/86/200372186.db2.gz UGMVSQGUFYUNET-CQSZACIVSA-N 1 2 256.305 1.862 20 30 CDEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCOC1=O ZINC000298252326 200372187 /nfs/dbraw/zinc/37/21/87/200372187.db2.gz UGMVSQGUFYUNET-CQSZACIVSA-N 1 2 256.305 1.862 20 30 CDEDLO CC[N@@H+](CC(=O)N(C)CC(F)(F)F)C[C@@H](C)C#N ZINC000098134598 360353577 /nfs/dbraw/zinc/35/35/77/360353577.db2.gz DIYFJLGOEGCIEM-VIFPVBQESA-N 1 2 265.279 1.489 20 30 CDEDLO CC[N@H+](CC(=O)N(C)CC(F)(F)F)C[C@@H](C)C#N ZINC000098134598 360353578 /nfs/dbraw/zinc/35/35/78/360353578.db2.gz DIYFJLGOEGCIEM-VIFPVBQESA-N 1 2 265.279 1.489 20 30 CDEDLO CCC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000098072131 360350473 /nfs/dbraw/zinc/35/04/73/360350473.db2.gz RJKLHWLTHASQDN-AWEZNQCLSA-N 1 2 290.363 1.864 20 30 CDEDLO CCC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000098072131 360350476 /nfs/dbraw/zinc/35/04/76/360350476.db2.gz RJKLHWLTHASQDN-AWEZNQCLSA-N 1 2 290.363 1.864 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000337648767 360313500 /nfs/dbraw/zinc/31/35/00/360313500.db2.gz JZVXCNGUWVROOW-UKRRQHHQSA-N 1 2 289.379 1.536 20 30 CDEDLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000127888511 360683694 /nfs/dbraw/zinc/68/36/94/360683694.db2.gz HAUGSYWMPZGNAX-WBMJQRKESA-N 1 2 286.379 1.883 20 30 CDEDLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000127888511 360683696 /nfs/dbraw/zinc/68/36/96/360683696.db2.gz HAUGSYWMPZGNAX-WBMJQRKESA-N 1 2 286.379 1.883 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000245609484 360717830 /nfs/dbraw/zinc/71/78/30/360717830.db2.gz JLZFHGITNYQIIW-ZBFHGGJFSA-N 1 2 286.375 1.068 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000245609484 360717836 /nfs/dbraw/zinc/71/78/36/360717836.db2.gz JLZFHGITNYQIIW-ZBFHGGJFSA-N 1 2 286.375 1.068 20 30 CDEDLO C[C@@H](CC(=O)N=c1ccn(CCC#N)[nH]1)n1cc[nH+]c1 ZINC000563219808 360895716 /nfs/dbraw/zinc/89/57/16/360895716.db2.gz YWVBOGDZGXDWPX-NSHDSACASA-N 1 2 272.312 1.005 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338628299 360949108 /nfs/dbraw/zinc/94/91/08/360949108.db2.gz ZJIULPQXNDWKQQ-JSGCOSHPSA-N 1 2 272.364 1.206 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338628299 360949114 /nfs/dbraw/zinc/94/91/14/360949114.db2.gz ZJIULPQXNDWKQQ-JSGCOSHPSA-N 1 2 272.364 1.206 20 30 CDEDLO C[C@@]1([NH2+]CCOc2ccccc2C#N)CCOC1=O ZINC000289763593 360951691 /nfs/dbraw/zinc/95/16/91/360951691.db2.gz ZJVQHPQPOJJQGQ-CQSZACIVSA-N 1 2 260.293 1.232 20 30 CDEDLO C[C@]1(C(N)=O)CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000572528729 361095159 /nfs/dbraw/zinc/09/51/59/361095159.db2.gz BPPYPPGJUMROGD-CYBMUJFWSA-N 1 2 263.366 1.850 20 30 CDEDLO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000572528729 361095164 /nfs/dbraw/zinc/09/51/64/361095164.db2.gz BPPYPPGJUMROGD-CYBMUJFWSA-N 1 2 263.366 1.850 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(-n2cncn2)c(F)c1 ZINC000535787463 361129672 /nfs/dbraw/zinc/12/96/72/361129672.db2.gz UMIJCIIXRCJHEM-NSHDSACASA-N 1 2 273.315 1.998 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(-n2cncn2)c(F)c1 ZINC000535787463 361129674 /nfs/dbraw/zinc/12/96/74/361129674.db2.gz UMIJCIIXRCJHEM-NSHDSACASA-N 1 2 273.315 1.998 20 30 CDEDLO C[N@H+](CC(=O)N(CCC#N)CCC#N)CC(C)(C)C#N ZINC000433299776 361229553 /nfs/dbraw/zinc/22/95/53/361229553.db2.gz RIJPSMCNSBDKHF-UHFFFAOYSA-N 1 2 275.356 1.124 20 30 CDEDLO C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC(C)(C)C#N ZINC000433299776 361229558 /nfs/dbraw/zinc/22/95/58/361229558.db2.gz RIJPSMCNSBDKHF-UHFFFAOYSA-N 1 2 275.356 1.124 20 30 CDEDLO CCN1CC[NH+]([C@@H](C)CNc2cccc(C#N)n2)CC1 ZINC000301563979 201070767 /nfs/dbraw/zinc/07/07/67/201070767.db2.gz YRIXFRZLWAVUCB-ZDUSSCGKSA-N 1 2 273.384 1.391 20 30 CDEDLO COC(=O)C(C)(C)[NH2+]CCC(=O)Nc1sccc1C#N ZINC000345524275 361456673 /nfs/dbraw/zinc/45/66/73/361456673.db2.gz OUZAQYUHTSOUCZ-UHFFFAOYSA-N 1 2 295.364 1.490 20 30 CDEDLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCc1cscn1 ZINC000329395954 361499742 /nfs/dbraw/zinc/49/97/42/361499742.db2.gz UFWBCMUXTFAUQI-NSHDSACASA-N 1 2 269.370 1.363 20 30 CDEDLO CC[N@H+]1CCOC[C@H]1C(=O)NCCc1cscn1 ZINC000329395954 361499746 /nfs/dbraw/zinc/49/97/46/361499746.db2.gz UFWBCMUXTFAUQI-NSHDSACASA-N 1 2 269.370 1.363 20 30 CDEDLO CN(Cc1[nH+]ccn1C)c1nc2ccccn2c1C#N ZINC000302096469 201338769 /nfs/dbraw/zinc/33/87/69/201338769.db2.gz OIEDBUQEJVBVTC-UHFFFAOYSA-N 1 2 266.308 1.576 20 30 CDEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cnns3)C2)nc1 ZINC000295205919 239301248 /nfs/dbraw/zinc/30/12/48/239301248.db2.gz OHRXTSAMYXQHRT-NSHDSACASA-N 1 2 287.348 1.458 20 30 CDEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cnns3)C2)nc1 ZINC000295205919 239301254 /nfs/dbraw/zinc/30/12/54/239301254.db2.gz OHRXTSAMYXQHRT-NSHDSACASA-N 1 2 287.348 1.458 20 30 CDEDLO Cc1nc(N2CCN(c3nccnc3C#N)C[C@H]2C)cc[nH+]1 ZINC000268225085 364502827 /nfs/dbraw/zinc/50/28/27/364502827.db2.gz KTSUTLFJQNNMFT-LLVKDONJSA-N 1 2 295.350 1.162 20 30 CDEDLO C=C(C)COCCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000302879218 364591686 /nfs/dbraw/zinc/59/16/86/364591686.db2.gz GSCJJVYSXDMZLO-UHFFFAOYSA-N 1 2 278.356 1.318 20 30 CDEDLO C=C(C)COCCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000302879218 364591689 /nfs/dbraw/zinc/59/16/89/364591689.db2.gz GSCJJVYSXDMZLO-UHFFFAOYSA-N 1 2 278.356 1.318 20 30 CDEDLO C=CCCCn1cc(C[NH+]2CCSCC2)nn1 ZINC000640936004 364752110 /nfs/dbraw/zinc/75/21/10/364752110.db2.gz NBEZLUFOMWIQEU-UHFFFAOYSA-N 1 2 252.387 1.793 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@@H](OC)c2ccccc2)nn1 ZINC000641129390 365090196 /nfs/dbraw/zinc/09/01/96/365090196.db2.gz MNSFXDFXUAATRV-MRXNPFEDSA-N 1 2 284.363 1.779 20 30 CDEDLO Cc1c[nH+]ccc1NC(=O)NCCCc1[nH]nc(N)c1C#N ZINC000271117462 366969568 /nfs/dbraw/zinc/96/95/68/366969568.db2.gz IEFKUYGTRWNICT-UHFFFAOYSA-N 1 2 299.338 1.321 20 30 CDEDLO CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2OC)CC1 ZINC000271055942 366963129 /nfs/dbraw/zinc/96/31/29/366963129.db2.gz QZVIRQLQKCCGOW-UHFFFAOYSA-N 1 2 288.351 1.024 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CSCc2ccccc2)CC1 ZINC000128284140 368388758 /nfs/dbraw/zinc/38/87/58/368388758.db2.gz AWBYOBRMCFXYEJ-UHFFFAOYSA-N 1 2 288.416 1.697 20 30 CDEDLO C[C@H](C#N)CNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000541950931 368708674 /nfs/dbraw/zinc/70/86/74/368708674.db2.gz ULKUXWRCCOHHPS-SNVBAGLBSA-N 1 2 257.297 1.293 20 30 CDEDLO CC(C)CCO[C@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000574329465 335011048 /nfs/dbraw/zinc/01/10/48/335011048.db2.gz IBTXYKIDSDBFBF-OCCSQVGLSA-N 1 2 269.389 1.398 20 30 CDEDLO CC[C@]1(C)C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)CCO1 ZINC000248862967 261206103 /nfs/dbraw/zinc/20/61/03/261206103.db2.gz AHYBGMNFNSJLJD-HUUCEWRRSA-N 1 2 279.384 1.296 20 30 CDEDLO CC[C@]1(C)C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CCO1 ZINC000248862967 261206104 /nfs/dbraw/zinc/20/61/04/261206104.db2.gz AHYBGMNFNSJLJD-HUUCEWRRSA-N 1 2 279.384 1.296 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2CCO)c(C#N)c1C ZINC000336846432 371336945 /nfs/dbraw/zinc/33/69/45/371336945.db2.gz OTQYYVGVKMJYFA-LBPRGKRZSA-N 1 2 291.351 1.553 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2CCO)c(C#N)c1C ZINC000336846432 371336951 /nfs/dbraw/zinc/33/69/51/371336951.db2.gz OTQYYVGVKMJYFA-LBPRGKRZSA-N 1 2 291.351 1.553 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H]1CC=C(C)CC1)C(=O)OC ZINC000578747543 372544674 /nfs/dbraw/zinc/54/46/74/372544674.db2.gz FNERDLAIBFZJCA-OLZOCXBDSA-N 1 2 253.342 1.819 20 30 CDEDLO C[C@H](C#N)CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000182723778 372620913 /nfs/dbraw/zinc/62/09/13/372620913.db2.gz UWMVPKYKYUSTIX-SNVBAGLBSA-N 1 2 257.297 1.293 20 30 CDEDLO Cc1noc([C@@H]2CCN(c3cc(C)[nH+]cc3C#N)C2)n1 ZINC000333477412 205356276 /nfs/dbraw/zinc/35/62/76/205356276.db2.gz OTQJPRHVJIQPRM-LLVKDONJSA-N 1 2 269.308 1.947 20 30 CDEDLO C#CCNC(=O)[C@H](C)Sc1[nH+]cc2ccccn21 ZINC000024311093 373212400 /nfs/dbraw/zinc/21/24/00/373212400.db2.gz XBOZTBLZOIXWDG-JTQLQIEISA-N 1 2 259.334 1.564 20 30 CDEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc(OC)cc1 ZINC000191128617 373454458 /nfs/dbraw/zinc/45/44/58/373454458.db2.gz XNXIDQLFNOWXJS-UHFFFAOYSA-N 1 2 278.352 1.768 20 30 CDEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc(OC)cc1 ZINC000191128617 373454462 /nfs/dbraw/zinc/45/44/62/373454462.db2.gz XNXIDQLFNOWXJS-UHFFFAOYSA-N 1 2 278.352 1.768 20 30 CDEDLO COc1ccc(C[C@H](C)C[NH+]2CC(O)(CC#N)C2)cc1F ZINC000191915030 373552500 /nfs/dbraw/zinc/55/25/00/373552500.db2.gz DMUJBQPEOQAHQM-LBPRGKRZSA-N 1 2 292.354 1.973 20 30 CDEDLO Cc1ccc2[nH+]c(CNC(=O)c3cnccc3C#N)cn2c1 ZINC000358482796 373958464 /nfs/dbraw/zinc/95/84/64/373958464.db2.gz KZUNGZOJPGXYOU-UHFFFAOYSA-N 1 2 291.314 1.839 20 30 CDEDLO Cc1cc(N2CCN(c3nccnc3C#N)C[C@@H]2C)nc[nH+]1 ZINC000301596626 373905523 /nfs/dbraw/zinc/90/55/23/373905523.db2.gz GIFFLMUAVOHQKJ-LBPRGKRZSA-N 1 2 295.350 1.162 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3ccccn3)CC2)nn1 ZINC000301843735 373924084 /nfs/dbraw/zinc/92/40/84/373924084.db2.gz RSRZDBWKSUXIAQ-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO C[C@H](CC(=O)Nc1n[nH]c(C2CC2)c1C#N)n1cc[nH+]c1 ZINC000516189990 374174646 /nfs/dbraw/zinc/17/46/46/374174646.db2.gz BYQJAYQBZMNCMP-SECBINFHSA-N 1 2 284.323 1.945 20 30 CDEDLO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCCCNC1=O ZINC000368894634 374336585 /nfs/dbraw/zinc/33/65/85/374336585.db2.gz WRTRWJMYXCOWBZ-CQSZACIVSA-N 1 2 257.337 1.659 20 30 CDEDLO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCCCNC1=O ZINC000368894634 374336591 /nfs/dbraw/zinc/33/65/91/374336591.db2.gz WRTRWJMYXCOWBZ-CQSZACIVSA-N 1 2 257.337 1.659 20 30 CDEDLO Cn1c[nH+]c2c1CCN(C(=O)Nc1ccc(C#N)cc1)C2 ZINC000369332227 374351746 /nfs/dbraw/zinc/35/17/46/374351746.db2.gz QPCWTHXEGFCDFQ-UHFFFAOYSA-N 1 2 281.319 1.882 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](Cc1ccccc1)OC ZINC000491371552 261441661 /nfs/dbraw/zinc/44/16/61/261441661.db2.gz FLIPZPDYDAFTJS-JKSUJKDBSA-N 1 2 259.349 1.578 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](Cc1ccccc1)OC ZINC000491371552 261441662 /nfs/dbraw/zinc/44/16/62/261441662.db2.gz FLIPZPDYDAFTJS-JKSUJKDBSA-N 1 2 259.349 1.578 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CSCc1cscn1 ZINC000574522845 335026572 /nfs/dbraw/zinc/02/65/72/335026572.db2.gz FSGAXWCUKSIHHB-GFCCVEGCSA-N 1 2 298.437 1.336 20 30 CDEDLO N#Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)[nH]1 ZINC000278127513 374831692 /nfs/dbraw/zinc/83/16/92/374831692.db2.gz QXWYBRWPMONBRU-DGCLKSJQSA-N 1 2 299.334 1.862 20 30 CDEDLO N#Cc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)[nH]1 ZINC000278127513 374831697 /nfs/dbraw/zinc/83/16/97/374831697.db2.gz QXWYBRWPMONBRU-DGCLKSJQSA-N 1 2 299.334 1.862 20 30 CDEDLO N#CCC[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000124162351 374764931 /nfs/dbraw/zinc/76/49/31/374764931.db2.gz MILYRRZHHQUMMO-UHFFFAOYSA-N 1 2 257.337 1.748 20 30 CDEDLO N#CCC[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000124162351 374764936 /nfs/dbraw/zinc/76/49/36/374764936.db2.gz MILYRRZHHQUMMO-UHFFFAOYSA-N 1 2 257.337 1.748 20 30 CDEDLO C[C@H]1CC[N@H+](CCOc2cccc(C#N)c2)CC[S@@]1=O ZINC000277215826 374778560 /nfs/dbraw/zinc/77/85/60/374778560.db2.gz NOKVJEKAKKGJHQ-RBZFPXEDSA-N 1 2 292.404 1.780 20 30 CDEDLO C[C@H]1CC[N@@H+](CCOc2cccc(C#N)c2)CC[S@@]1=O ZINC000277215826 374778565 /nfs/dbraw/zinc/77/85/65/374778565.db2.gz NOKVJEKAKKGJHQ-RBZFPXEDSA-N 1 2 292.404 1.780 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000330817961 374872997 /nfs/dbraw/zinc/87/29/97/374872997.db2.gz LXOYTRGSXYVJSY-BXUZGUMPSA-N 1 2 274.320 1.493 20 30 CDEDLO COC(=O)[C@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000330817961 374873000 /nfs/dbraw/zinc/87/30/00/374873000.db2.gz LXOYTRGSXYVJSY-BXUZGUMPSA-N 1 2 274.320 1.493 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(CC)cc2)CC1 ZINC000045915429 375792598 /nfs/dbraw/zinc/79/25/98/375792598.db2.gz VQEOOGLDBDXYDW-UHFFFAOYSA-N 1 2 256.349 1.640 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ncc[nH]2)C1=O ZINC000328815489 375963802 /nfs/dbraw/zinc/96/38/02/375963802.db2.gz NQGZAPIRHIOBSN-VXGBXAGGSA-N 1 2 260.341 1.334 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2c2ncc[nH]2)C1=O ZINC000328815489 375963806 /nfs/dbraw/zinc/96/38/06/375963806.db2.gz NQGZAPIRHIOBSN-VXGBXAGGSA-N 1 2 260.341 1.334 20 30 CDEDLO C=CCN1CC[C@@H](N2CCC[C@@H]2c2[nH]cc[nH+]2)C1=O ZINC000328815489 375963811 /nfs/dbraw/zinc/96/38/11/375963811.db2.gz NQGZAPIRHIOBSN-VXGBXAGGSA-N 1 2 260.341 1.334 20 30 CDEDLO CCC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCOCC1 ZINC000328904637 375995503 /nfs/dbraw/zinc/99/55/03/375995503.db2.gz JMIQKFLXODUMJI-NSHDSACASA-N 1 2 256.346 1.233 20 30 CDEDLO CCC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC000328904637 375995508 /nfs/dbraw/zinc/99/55/08/375995508.db2.gz JMIQKFLXODUMJI-NSHDSACASA-N 1 2 256.346 1.233 20 30 CDEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@H]1CCNC1=O ZINC000328898437 376005611 /nfs/dbraw/zinc/00/56/11/376005611.db2.gz YCALPFRCTRCMNY-NSHDSACASA-N 1 2 278.356 1.830 20 30 CDEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@H]1CCNC1=O ZINC000328898437 376005617 /nfs/dbraw/zinc/00/56/17/376005617.db2.gz YCALPFRCTRCMNY-NSHDSACASA-N 1 2 278.356 1.830 20 30 CDEDLO C=CCC[C@@H]1NC(=O)N(Cc2ccc(N(C)C)[nH+]c2)C1=O ZINC000419925042 376175087 /nfs/dbraw/zinc/17/50/87/376175087.db2.gz NTKUEPOJWYHMJT-LBPRGKRZSA-N 1 2 288.351 1.534 20 30 CDEDLO C=CCCS(=O)(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000129723529 377428349 /nfs/dbraw/zinc/42/83/49/377428349.db2.gz DHVZFWJXINOVCV-HNNXBMFYSA-N 1 2 294.420 1.881 20 30 CDEDLO C=CCCS(=O)(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000129723529 377428363 /nfs/dbraw/zinc/42/83/63/377428363.db2.gz DHVZFWJXINOVCV-HNNXBMFYSA-N 1 2 294.420 1.881 20 30 CDEDLO C[C@H](C(=O)NC1CCCCC1)[N@@H+](C)C[C@H](C)C#N ZINC000251142319 377562344 /nfs/dbraw/zinc/56/23/44/377562344.db2.gz WNSRRCQAQPQBPN-VXGBXAGGSA-N 1 2 251.374 1.915 20 30 CDEDLO C[C@H](C(=O)NC1CCCCC1)[N@H+](C)C[C@H](C)C#N ZINC000251142319 377562346 /nfs/dbraw/zinc/56/23/46/377562346.db2.gz WNSRRCQAQPQBPN-VXGBXAGGSA-N 1 2 251.374 1.915 20 30 CDEDLO C=CCn1c(=O)[nH]nc1SCc1c[nH+]ccc1OC ZINC000286597621 378221681 /nfs/dbraw/zinc/22/16/81/378221681.db2.gz SOSJRMFDNQXJQV-UHFFFAOYSA-N 1 2 278.337 1.453 20 30 CDEDLO C=CCOCC(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633896832 378852467 /nfs/dbraw/zinc/85/24/67/378852467.db2.gz ITFUENOWNVSZNQ-UHFFFAOYSA-N 1 2 290.363 1.239 20 30 CDEDLO COCCN1CC[N@H+](Cc2ccc(CC#N)cc2)CC1=O ZINC000343774587 378971577 /nfs/dbraw/zinc/97/15/77/378971577.db2.gz VKUCWIUBWJDMSV-UHFFFAOYSA-N 1 2 287.363 1.043 20 30 CDEDLO COCCN1CC[N@@H+](Cc2ccc(CC#N)cc2)CC1=O ZINC000343774587 378971583 /nfs/dbraw/zinc/97/15/83/378971583.db2.gz VKUCWIUBWJDMSV-UHFFFAOYSA-N 1 2 287.363 1.043 20 30 CDEDLO Cc1c(Cl)cnc(NCc2ccc(N)[nH+]c2)c1C#N ZINC000444841914 250194947 /nfs/dbraw/zinc/19/49/47/250194947.db2.gz XTQBQMJJURRPCW-UHFFFAOYSA-N 1 2 273.727 1.757 20 30 CDEDLO CC#CC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000278890122 194197923 /nfs/dbraw/zinc/19/79/23/194197923.db2.gz ORCMQGYTNCTONR-MRXNPFEDSA-N 1 2 286.375 1.508 20 30 CDEDLO C=CCN(CC=C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000279241074 194347924 /nfs/dbraw/zinc/34/79/24/194347924.db2.gz ROXCCDFFXQJMOX-UHFFFAOYSA-N 1 2 252.358 1.298 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(C)c(C(C)=O)c2)CC1 ZINC000279278374 194364604 /nfs/dbraw/zinc/36/46/04/194364604.db2.gz SMBPIXOAZPSMNB-UHFFFAOYSA-N 1 2 298.386 1.979 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000279334574 194388717 /nfs/dbraw/zinc/38/87/17/194388717.db2.gz HOZUDUBDCSTBLA-DOMZBBRYSA-N 1 2 275.352 1.104 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnn(CC(C)C)c2)C1=O ZINC000281109821 195107663 /nfs/dbraw/zinc/10/76/63/195107663.db2.gz BETUXNVDBKLZPE-OAHLLOKOSA-N 1 2 290.411 1.758 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnn(CC(C)C)c2)C1=O ZINC000281109821 195107664 /nfs/dbraw/zinc/10/76/64/195107664.db2.gz BETUXNVDBKLZPE-OAHLLOKOSA-N 1 2 290.411 1.758 20 30 CDEDLO N#Cc1ccc(/C=C\C(=O)NCCn2cc[nH+]c2)cc1 ZINC000491184677 253065568 /nfs/dbraw/zinc/06/55/68/253065568.db2.gz HQCACRUIVODUKF-WAYWQWQTSA-N 1 2 266.304 1.584 20 30 CDEDLO Cn1cc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)cc1C#N ZINC000289317621 197294887 /nfs/dbraw/zinc/29/48/87/197294887.db2.gz FILWUXNKWUGDNJ-OAHLLOKOSA-N 1 2 275.352 1.278 20 30 CDEDLO Cn1cc(C[N@H+]2CCO[C@]3(CCCOC3)C2)cc1C#N ZINC000289317621 197294889 /nfs/dbraw/zinc/29/48/89/197294889.db2.gz FILWUXNKWUGDNJ-OAHLLOKOSA-N 1 2 275.352 1.278 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000192231254 533112636 /nfs/dbraw/zinc/11/26/36/533112636.db2.gz SYPXLZYIVQGVCL-LLVKDONJSA-N 1 2 273.336 1.537 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000192231254 533112642 /nfs/dbraw/zinc/11/26/42/533112642.db2.gz SYPXLZYIVQGVCL-LLVKDONJSA-N 1 2 273.336 1.537 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000192223211 533113273 /nfs/dbraw/zinc/11/32/73/533113273.db2.gz UISKGYDJJUUSCN-LLVKDONJSA-N 1 2 258.321 1.781 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000192223211 533113277 /nfs/dbraw/zinc/11/32/77/533113277.db2.gz UISKGYDJJUUSCN-LLVKDONJSA-N 1 2 258.321 1.781 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(N(C)C)s2)C1=O ZINC000281223250 195155220 /nfs/dbraw/zinc/15/52/20/195155220.db2.gz KLTKLGCVGBZZPJ-GFCCVEGCSA-N 1 2 294.424 1.428 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(N(C)C)s2)C1=O ZINC000281223250 195155222 /nfs/dbraw/zinc/15/52/22/195155222.db2.gz KLTKLGCVGBZZPJ-GFCCVEGCSA-N 1 2 294.424 1.428 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2scnc2C)C1=O ZINC000281347109 195206264 /nfs/dbraw/zinc/20/62/64/195206264.db2.gz TWBUHIGLWAFNAF-LLVKDONJSA-N 1 2 265.382 1.670 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2scnc2C)C1=O ZINC000281347109 195206266 /nfs/dbraw/zinc/20/62/66/195206266.db2.gz TWBUHIGLWAFNAF-LLVKDONJSA-N 1 2 265.382 1.670 20 30 CDEDLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1cc(C#N)n(C)c1 ZINC000281411669 195230656 /nfs/dbraw/zinc/23/06/56/195230656.db2.gz YGJOWJOPDUELRT-NSHDSACASA-N 1 2 263.341 1.670 20 30 CDEDLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1cc(C#N)n(C)c1 ZINC000281411669 195230658 /nfs/dbraw/zinc/23/06/58/195230658.db2.gz YGJOWJOPDUELRT-NSHDSACASA-N 1 2 263.341 1.670 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000332479785 260012288 /nfs/dbraw/zinc/01/22/88/260012288.db2.gz OBEWRNBPTGCWKI-VHSXEESVSA-N 1 2 268.361 1.091 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000332479785 260012289 /nfs/dbraw/zinc/01/22/89/260012289.db2.gz OBEWRNBPTGCWKI-VHSXEESVSA-N 1 2 268.361 1.091 20 30 CDEDLO C=C[C@H](O)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000646959129 390319139 /nfs/dbraw/zinc/31/91/39/390319139.db2.gz UYIYOPMFHXBUHW-AAEUAGOBSA-N 1 2 280.393 1.500 20 30 CDEDLO N#CCOc1ccc(CC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000111540256 390678726 /nfs/dbraw/zinc/67/87/26/390678726.db2.gz RTYNRGBVIPBESD-UHFFFAOYSA-N 1 2 298.346 1.534 20 30 CDEDLO CCS[C@@H](C)c1noc(CO[NH+]=C(N)CCO)n1 ZINC000121399665 390885382 /nfs/dbraw/zinc/88/53/82/390885382.db2.gz JEVZUYHXDICOJQ-ZETCQYMHSA-N 1 2 274.346 1.055 20 30 CDEDLO C[C@@H](NC(=O)CO[NH+]=C(N)CCO)c1ccccc1Cl ZINC000121416949 390885790 /nfs/dbraw/zinc/88/57/90/390885790.db2.gz CQXDVSVVYNUBKR-SECBINFHSA-N 1 2 299.758 1.188 20 30 CDEDLO CN(C)C(=O)c1ccc(C[N@H+](CCC#N)CC2CC2)[nH]1 ZINC000093091315 390899330 /nfs/dbraw/zinc/89/93/30/390899330.db2.gz XMQRVVLZMXDSHE-UHFFFAOYSA-N 1 2 274.368 1.842 20 30 CDEDLO CN(C)C(=O)c1ccc(C[N@@H+](CCC#N)CC2CC2)[nH]1 ZINC000093091315 390899331 /nfs/dbraw/zinc/89/93/31/390899331.db2.gz XMQRVVLZMXDSHE-UHFFFAOYSA-N 1 2 274.368 1.842 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000448918743 390914230 /nfs/dbraw/zinc/91/42/30/390914230.db2.gz VDQJAHLFECNSSU-VXGBXAGGSA-N 1 2 254.374 1.424 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC(C)(C)CCC#N ZINC000350992740 391026050 /nfs/dbraw/zinc/02/60/50/391026050.db2.gz PPJFMEAGIZVQSV-LBPRGKRZSA-N 1 2 277.372 1.901 20 30 CDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC000364493121 390964869 /nfs/dbraw/zinc/96/48/69/390964869.db2.gz HHJZVNQPIVKROG-AWEZNQCLSA-N 1 2 296.334 1.035 20 30 CDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC000364493121 390964870 /nfs/dbraw/zinc/96/48/70/390964870.db2.gz HHJZVNQPIVKROG-AWEZNQCLSA-N 1 2 296.334 1.035 20 30 CDEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)N[C@H]1CCCOC1 ZINC000329428331 390986776 /nfs/dbraw/zinc/98/67/76/390986776.db2.gz JMERGKUCQZFMHS-NEPJUHHUSA-N 1 2 278.356 1.443 20 30 CDEDLO CN(C(=O)NCc1cn2c([nH+]1)CCCC2)C1CC(O)C1 ZINC000329523769 391004771 /nfs/dbraw/zinc/00/47/71/391004771.db2.gz QBHDBHJXQZOYNR-UHFFFAOYSA-N 1 2 278.356 1.089 20 30 CDEDLO C=CCC(C)(C)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000351818596 391098026 /nfs/dbraw/zinc/09/80/26/391098026.db2.gz HHNZJGGRLPPGKK-CYBMUJFWSA-N 1 2 268.401 1.768 20 30 CDEDLO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC(=O)NCC#N ZINC000351202695 391056683 /nfs/dbraw/zinc/05/66/83/391056683.db2.gz MXACPPAGXXBDGQ-QMTHXVAHSA-N 1 2 295.770 1.645 20 30 CDEDLO COC(=O)c1ccccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414161572 391115498 /nfs/dbraw/zinc/11/54/98/391115498.db2.gz KGILZTOILBMOFO-LBPRGKRZSA-N 1 2 292.335 1.058 20 30 CDEDLO COC(=O)c1ccccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414161572 391115501 /nfs/dbraw/zinc/11/55/01/391115501.db2.gz KGILZTOILBMOFO-LBPRGKRZSA-N 1 2 292.335 1.058 20 30 CDEDLO N#CC1(F)CC[NH+](CC(=O)NCc2ccco2)CC1 ZINC000352458577 391145189 /nfs/dbraw/zinc/14/51/89/391145189.db2.gz MJGPOEYTYVMPET-UHFFFAOYSA-N 1 2 265.288 1.223 20 30 CDEDLO C#C[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C(C)C ZINC000374279871 391156915 /nfs/dbraw/zinc/15/69/15/391156915.db2.gz MCLKGXKIVUFCNA-HUUCEWRRSA-N 1 2 287.363 1.902 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000345384935 391168427 /nfs/dbraw/zinc/16/84/27/391168427.db2.gz APPIUMFULCJFRK-CQSZACIVSA-N 1 2 298.427 1.537 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000345384935 391168431 /nfs/dbraw/zinc/16/84/31/391168431.db2.gz APPIUMFULCJFRK-CQSZACIVSA-N 1 2 298.427 1.537 20 30 CDEDLO C[C@H](CC#N)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000347253205 533616283 /nfs/dbraw/zinc/61/62/83/533616283.db2.gz GKGCKNWMOSXVOH-CYBMUJFWSA-N 1 2 287.363 1.551 20 30 CDEDLO COCc1noc(CO[NH+]=C(N)c2ccc(C)c(F)c2)n1 ZINC000183168085 391255290 /nfs/dbraw/zinc/25/52/90/391255290.db2.gz VWMUHSAHMYAZFM-UHFFFAOYSA-N 1 2 294.286 1.501 20 30 CDEDLO C=C(C)CNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000187887909 391210423 /nfs/dbraw/zinc/21/04/23/391210423.db2.gz PUHYMPFZRBXRMC-UHFFFAOYSA-N 1 2 290.367 1.294 20 30 CDEDLO C=C(C)CN(C)c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000302049881 391292873 /nfs/dbraw/zinc/29/28/73/391292873.db2.gz OOFZURQZADMQGG-CYBMUJFWSA-N 1 2 276.384 1.698 20 30 CDEDLO C=C(C)CN(C)c1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000302049881 391292874 /nfs/dbraw/zinc/29/28/74/391292874.db2.gz OOFZURQZADMQGG-CYBMUJFWSA-N 1 2 276.384 1.698 20 30 CDEDLO C=CCCCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000345777496 391312351 /nfs/dbraw/zinc/31/23/51/391312351.db2.gz LXBVZNBSZWIYKN-CABCVRRESA-N 1 2 295.427 1.847 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C#N)CC1 ZINC000346278506 391342916 /nfs/dbraw/zinc/34/29/16/391342916.db2.gz NEMZKUPVGFFELZ-LLVKDONJSA-N 1 2 260.341 1.173 20 30 CDEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](O)C2)c(C#N)c1C ZINC000049773456 391343501 /nfs/dbraw/zinc/34/35/01/391343501.db2.gz BFYOMWNBPSYFIJ-LLVKDONJSA-N 1 2 293.392 1.632 20 30 CDEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](O)C2)c(C#N)c1C ZINC000049773456 391343503 /nfs/dbraw/zinc/34/35/03/391343503.db2.gz BFYOMWNBPSYFIJ-LLVKDONJSA-N 1 2 293.392 1.632 20 30 CDEDLO C=CC[N@H+](CCOC1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000346961253 391378956 /nfs/dbraw/zinc/37/89/56/391378956.db2.gz FPJBBCBSEDHWCM-LBPRGKRZSA-N 1 2 273.398 1.231 20 30 CDEDLO C=CC[N@@H+](CCOC1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000346961253 391378960 /nfs/dbraw/zinc/37/89/60/391378960.db2.gz FPJBBCBSEDHWCM-LBPRGKRZSA-N 1 2 273.398 1.231 20 30 CDEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)Cc1cccnc1 ZINC000346980939 391380557 /nfs/dbraw/zinc/38/05/57/391380557.db2.gz MNALBEAOCOIHGL-UHFFFAOYSA-N 1 2 258.325 1.076 20 30 CDEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1cccnc1 ZINC000346980939 391380558 /nfs/dbraw/zinc/38/05/58/391380558.db2.gz MNALBEAOCOIHGL-UHFFFAOYSA-N 1 2 258.325 1.076 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000354458731 391419775 /nfs/dbraw/zinc/41/97/75/391419775.db2.gz MJTYGUDPHYRNHR-SWLSCSKDSA-N 1 2 295.383 1.022 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000354458731 391419780 /nfs/dbraw/zinc/41/97/80/391419780.db2.gz MJTYGUDPHYRNHR-SWLSCSKDSA-N 1 2 295.383 1.022 20 30 CDEDLO CC[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000330439701 391432983 /nfs/dbraw/zinc/43/29/83/391432983.db2.gz CMJXQHOAEHVOCB-OLZOCXBDSA-N 1 2 267.373 1.248 20 30 CDEDLO CC[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@H](CC)C1 ZINC000330439701 391432984 /nfs/dbraw/zinc/43/29/84/391432984.db2.gz CMJXQHOAEHVOCB-OLZOCXBDSA-N 1 2 267.373 1.248 20 30 CDEDLO Cc1ccc2[nH+]c(CNC(=O)CCCC#N)cn2c1 ZINC000360025590 391633513 /nfs/dbraw/zinc/63/35/13/391633513.db2.gz RLOPGNSZBZQWKX-UHFFFAOYSA-N 1 2 256.309 1.953 20 30 CDEDLO C[C@@H]1C[NH+]=C(N2CCN(c3ncccc3C#N)CC2)S1 ZINC000075147059 391568706 /nfs/dbraw/zinc/56/87/06/391568706.db2.gz MXXCYWPCYQKMPI-LLVKDONJSA-N 1 2 287.392 1.567 20 30 CDEDLO O=C(NCC[C@@H]1CCOC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000329726317 391760187 /nfs/dbraw/zinc/76/01/87/391760187.db2.gz DUICWRPESCBGNJ-CYBMUJFWSA-N 1 2 292.383 1.861 20 30 CDEDLO [O-]C(=[NH+]CC[C@@H]1CCOC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000329726317 391760192 /nfs/dbraw/zinc/76/01/92/391760192.db2.gz DUICWRPESCBGNJ-CYBMUJFWSA-N 1 2 292.383 1.861 20 30 CDEDLO C=CC[N@@H+](Cc1cc(C#N)n(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000191265466 130211193 /nfs/dbraw/zinc/21/11/93/130211193.db2.gz XEKTUILFVKTUKA-CYBMUJFWSA-N 1 2 293.392 1.072 20 30 CDEDLO C=CC[N@H+](Cc1cc(C#N)n(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000191265466 130211195 /nfs/dbraw/zinc/21/11/95/130211195.db2.gz XEKTUILFVKTUKA-CYBMUJFWSA-N 1 2 293.392 1.072 20 30 CDEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000189576822 391773403 /nfs/dbraw/zinc/77/34/03/391773403.db2.gz HWXLEPNTAKCQTB-LSDHHAIUSA-N 1 2 288.347 1.365 20 30 CDEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000189576822 391773408 /nfs/dbraw/zinc/77/34/08/391773408.db2.gz HWXLEPNTAKCQTB-LSDHHAIUSA-N 1 2 288.347 1.365 20 30 CDEDLO CC[N@H+](Cc1cc(C#N)n(C)c1)[C@H](C)CS(C)(=O)=O ZINC000191360915 130226343 /nfs/dbraw/zinc/22/63/43/130226343.db2.gz VGUNEHPSUBDCTJ-LLVKDONJSA-N 1 2 283.397 1.152 20 30 CDEDLO CC[N@@H+](Cc1cc(C#N)n(C)c1)[C@H](C)CS(C)(=O)=O ZINC000191360915 130226345 /nfs/dbraw/zinc/22/63/45/130226345.db2.gz VGUNEHPSUBDCTJ-LLVKDONJSA-N 1 2 283.397 1.152 20 30 CDEDLO C[C@H](CNC(=O)[C@]1(C)CCC(=O)NC1)[NH+]1CCOCC1 ZINC000329846931 391789030 /nfs/dbraw/zinc/78/90/30/391789030.db2.gz QYCWPAGBZSRIAE-BXUZGUMPSA-N 1 2 283.372 1.420 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N1c2ccccc2CC[C@H]1C ZINC000192229425 130399875 /nfs/dbraw/zinc/39/98/75/130399875.db2.gz CXIAUHWEWRATSL-CYBMUJFWSA-N 1 2 256.349 1.919 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N1c2ccccc2CC[C@H]1C ZINC000192229425 130399877 /nfs/dbraw/zinc/39/98/77/130399877.db2.gz CXIAUHWEWRATSL-CYBMUJFWSA-N 1 2 256.349 1.919 20 30 CDEDLO C#CC[NH+](CC#C)C[C@@H]1CN(c2ccccc2)CCO1 ZINC000491380913 391855637 /nfs/dbraw/zinc/85/56/37/391855637.db2.gz BOADBJXBRZDSBP-QGZVFWFLSA-N 1 2 268.360 1.460 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CC/C=C\c1cncc(OC)c1 ZINC000491382657 391856842 /nfs/dbraw/zinc/85/68/42/391856842.db2.gz JHHSMINZIJAFJF-ZDTYVGOBSA-N 1 2 272.348 1.828 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CC/C=C\c1cncc(OC)c1 ZINC000491382657 391856845 /nfs/dbraw/zinc/85/68/45/391856845.db2.gz JHHSMINZIJAFJF-ZDTYVGOBSA-N 1 2 272.348 1.828 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000342966103 392076023 /nfs/dbraw/zinc/07/60/23/392076023.db2.gz PAJAOPWEEVXPGM-LLVKDONJSA-N 1 2 250.346 1.964 20 30 CDEDLO C=CCn1nnnc1SCc1cn2ccccc2[nH+]1 ZINC000343041694 392083553 /nfs/dbraw/zinc/08/35/53/392083553.db2.gz SLQCFNARWPLJMD-UHFFFAOYSA-N 1 2 272.337 1.799 20 30 CDEDLO Cc1nnc(NC[C@@H](C)Cn2cc[nH+]c2)c(C#N)c1C ZINC000264032580 131383759 /nfs/dbraw/zinc/38/37/59/131383759.db2.gz SPBBBCAHBDZUGZ-SNVBAGLBSA-N 1 2 270.340 1.910 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@H]1O ZINC000459381377 392429212 /nfs/dbraw/zinc/42/92/12/392429212.db2.gz AQFAAIVXUVRZTL-IINYFYTJSA-N 1 2 275.308 1.669 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C[C@H]1O ZINC000459381377 392429217 /nfs/dbraw/zinc/42/92/17/392429217.db2.gz AQFAAIVXUVRZTL-IINYFYTJSA-N 1 2 275.308 1.669 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000412089596 392819599 /nfs/dbraw/zinc/81/95/99/392819599.db2.gz BRSMSIDWTGPHPU-JSGCOSHPSA-N 1 2 280.755 1.387 20 30 CDEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000412089596 392819603 /nfs/dbraw/zinc/81/96/03/392819603.db2.gz BRSMSIDWTGPHPU-JSGCOSHPSA-N 1 2 280.755 1.387 20 30 CDEDLO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(C#N)cn3)C2)n[nH]1 ZINC000519858880 392851248 /nfs/dbraw/zinc/85/12/48/392851248.db2.gz UPKYGWBQRKOMCH-CYBMUJFWSA-N 1 2 282.351 1.759 20 30 CDEDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)cn3)C2)n[nH]1 ZINC000519858880 392851252 /nfs/dbraw/zinc/85/12/52/392851252.db2.gz UPKYGWBQRKOMCH-CYBMUJFWSA-N 1 2 282.351 1.759 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000268528232 132022368 /nfs/dbraw/zinc/02/23/68/132022368.db2.gz DAFBNRMXNYKLHE-KGLIPLIRSA-N 1 2 266.385 1.686 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000268528232 132022370 /nfs/dbraw/zinc/02/23/70/132022370.db2.gz DAFBNRMXNYKLHE-KGLIPLIRSA-N 1 2 266.385 1.686 20 30 CDEDLO CC#CC[C@H](CO)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000649182236 392952309 /nfs/dbraw/zinc/95/23/09/392952309.db2.gz RAWNRDDRBACBHF-MRXNPFEDSA-N 1 2 297.358 1.436 20 30 CDEDLO CNC(=O)[C@H]1CCC[C@@H]1Nc1cc(C)[nH+]cc1C#N ZINC000425243463 393002356 /nfs/dbraw/zinc/00/23/56/393002356.db2.gz FODPROUBJXGERN-RYUDHWBXSA-N 1 2 258.325 1.010 20 30 CDEDLO C[C@H](O)C[NH+]1CCN(c2c(Cl)cccc2C#N)CC1 ZINC000275067368 135103775 /nfs/dbraw/zinc/10/37/75/135103775.db2.gz YEQFVPHTUVUYRU-NSHDSACASA-N 1 2 279.771 1.714 20 30 CDEDLO CC1(C)C[N@H+](Cc2cccc(C#N)c2F)C[C@H](CO)O1 ZINC000221987418 140171176 /nfs/dbraw/zinc/17/11/76/140171176.db2.gz HNRBZCLHDOKACX-CYBMUJFWSA-N 1 2 278.327 1.669 20 30 CDEDLO CC1(C)C[N@@H+](Cc2cccc(C#N)c2F)C[C@H](CO)O1 ZINC000221987418 140171178 /nfs/dbraw/zinc/17/11/78/140171178.db2.gz HNRBZCLHDOKACX-CYBMUJFWSA-N 1 2 278.327 1.669 20 30 CDEDLO N#Cc1ccc(NC(=O)NCc2[nH]cc[nH+]2)cc1F ZINC000335183822 150380662 /nfs/dbraw/zinc/38/06/62/150380662.db2.gz NPJIOBQTPBHBSF-UHFFFAOYSA-N 1 2 259.244 1.742 20 30 CDEDLO C[C@@]1(F)CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000335799061 151029146 /nfs/dbraw/zinc/02/91/46/151029146.db2.gz WTOPBFFEJNQUQB-CQSZACIVSA-N 1 2 261.300 1.931 20 30 CDEDLO C[C@@]1(F)CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000335799061 151029147 /nfs/dbraw/zinc/02/91/47/151029147.db2.gz WTOPBFFEJNQUQB-CQSZACIVSA-N 1 2 261.300 1.931 20 30 CDEDLO CC(C)[NH+]1CCN(C(=O)c2ccc(C#N)s2)CC1 ZINC000335809876 151038816 /nfs/dbraw/zinc/03/88/16/151038816.db2.gz JISCGBGYPVJEHS-UHFFFAOYSA-N 1 2 263.366 1.786 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccc(C#N)n1C)CCC2 ZINC000336193994 151350193 /nfs/dbraw/zinc/35/01/93/151350193.db2.gz ITWCDLBXZPLLDN-LBPRGKRZSA-N 1 2 297.362 1.709 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNc1cccc(F)c1C#N ZINC000352639833 155319219 /nfs/dbraw/zinc/31/92/19/155319219.db2.gz MYFANEMXLATHRH-NSHDSACASA-N 1 2 263.316 1.830 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNc1cccc(F)c1C#N ZINC000352639833 155319220 /nfs/dbraw/zinc/31/92/20/155319220.db2.gz MYFANEMXLATHRH-NSHDSACASA-N 1 2 263.316 1.830 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)c1 ZINC000374374968 160279992 /nfs/dbraw/zinc/27/99/92/160279992.db2.gz OTEPZTAJIJGTEC-CQSZACIVSA-N 1 2 281.319 1.068 20 30 CDEDLO C#CCN(Cc1ccccc1)C(=O)NCCn1cc[nH+]c1 ZINC000285181918 196214781 /nfs/dbraw/zinc/21/47/81/196214781.db2.gz UURTVKXQHNRNJR-UHFFFAOYSA-N 1 2 282.347 1.728 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000664958285 413760114 /nfs/dbraw/zinc/76/01/14/413760114.db2.gz YIVVRHXAEHHGKR-KBPBESRZSA-N 1 2 297.443 1.997 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000664958285 413760124 /nfs/dbraw/zinc/76/01/24/413760124.db2.gz YIVVRHXAEHHGKR-KBPBESRZSA-N 1 2 297.443 1.997 20 30 CDEDLO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2c(F)cncc2F)C1=O ZINC000285631831 196350207 /nfs/dbraw/zinc/35/02/07/196350207.db2.gz KVPOHCDRNBVMIR-JOYOIKCWSA-N 1 2 281.306 1.797 20 30 CDEDLO COCC[NH+]1CCN(c2cc(C(C)=O)ccc2C#N)CC1 ZINC000273236983 414108390 /nfs/dbraw/zinc/10/83/90/414108390.db2.gz SOBGUOUBUAARNE-UHFFFAOYSA-N 1 2 287.363 1.529 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)nn1 ZINC000657394975 414281959 /nfs/dbraw/zinc/28/19/59/414281959.db2.gz XXPDERHPSXRAMK-GFCCVEGCSA-N 1 2 272.356 1.224 20 30 CDEDLO C=CCCn1cc(CNc2ccc(N(C)C)c[nH+]2)nn1 ZINC000657402225 414288615 /nfs/dbraw/zinc/28/86/15/414288615.db2.gz OIWVTGHCLMKBLU-UHFFFAOYSA-N 1 2 272.356 1.927 20 30 CDEDLO Cc1ccc(C#N)c(N[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000043395753 175035738 /nfs/dbraw/zinc/03/57/38/175035738.db2.gz OZPJSPRSNSVZIO-LBPRGKRZSA-N 1 2 260.341 1.394 20 30 CDEDLO C#CCNC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000043472125 175053856 /nfs/dbraw/zinc/05/38/56/175053856.db2.gz SHKWHJHCSRSZBP-UHFFFAOYSA-N 1 2 270.336 1.667 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)C1(C#N)CCCCC1 ZINC000045136839 175314314 /nfs/dbraw/zinc/31/43/14/175314314.db2.gz LMFBKKVUZXUHGB-UHFFFAOYSA-N 1 2 260.341 1.553 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCN(CC#N)C1CCCC1 ZINC000192725237 227273176 /nfs/dbraw/zinc/27/31/76/227273176.db2.gz JUZVCTJIRVUETK-ZDUSSCGKSA-N 1 2 251.374 1.475 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCN(CC#N)C1CCCC1 ZINC000192725237 227273182 /nfs/dbraw/zinc/27/31/82/227273182.db2.gz JUZVCTJIRVUETK-ZDUSSCGKSA-N 1 2 251.374 1.475 20 30 CDEDLO Cc1cc(NC(=O)[C@@H]2C[N@H+](C)CCO2)cc2n[nH]cc21 ZINC000329081619 227287089 /nfs/dbraw/zinc/28/70/89/227287089.db2.gz RTZILNYHQABWMP-ZDUSSCGKSA-N 1 2 274.324 1.790 20 30 CDEDLO Cc1cc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)cc2n[nH]cc21 ZINC000329081619 227287092 /nfs/dbraw/zinc/28/70/92/227287092.db2.gz RTZILNYHQABWMP-ZDUSSCGKSA-N 1 2 274.324 1.790 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC([O-])=[NH+][C@]1(C)CCCOC1 ZINC000329103131 227298435 /nfs/dbraw/zinc/29/84/35/227298435.db2.gz FWDGVZYEYDSEPB-DGCLKSJQSA-N 1 2 266.345 1.344 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@]1(C)CCCOC1 ZINC000329103131 227298440 /nfs/dbraw/zinc/29/84/40/227298440.db2.gz FWDGVZYEYDSEPB-DGCLKSJQSA-N 1 2 266.345 1.344 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CCc1cnccn1 ZINC000330009606 228015364 /nfs/dbraw/zinc/01/53/64/228015364.db2.gz GIVXEOFXAITTIT-GFCCVEGCSA-N 1 2 278.356 1.086 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)CCc1cnccn1 ZINC000330009606 228015366 /nfs/dbraw/zinc/01/53/66/228015366.db2.gz GIVXEOFXAITTIT-GFCCVEGCSA-N 1 2 278.356 1.086 20 30 CDEDLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000330019760 228018071 /nfs/dbraw/zinc/01/80/71/228018071.db2.gz VPKKXZCSBGJRSA-XQQFMLRXSA-N 1 2 281.400 1.194 20 30 CDEDLO C[C@@H]1C(=O)CC[C@@H]1CC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000330019760 228018072 /nfs/dbraw/zinc/01/80/72/228018072.db2.gz VPKKXZCSBGJRSA-XQQFMLRXSA-N 1 2 281.400 1.194 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CCc1ccncn1 ZINC000330232716 228074313 /nfs/dbraw/zinc/07/43/13/228074313.db2.gz RSYQGVZLLFJCTF-GFCCVEGCSA-N 1 2 278.356 1.086 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)CCc1ccncn1 ZINC000330232716 228074316 /nfs/dbraw/zinc/07/43/16/228074316.db2.gz RSYQGVZLLFJCTF-GFCCVEGCSA-N 1 2 278.356 1.086 20 30 CDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccccc1C#N ZINC000078670491 260302211 /nfs/dbraw/zinc/30/22/11/260302211.db2.gz KGLXIIDLVGQGFN-UHFFFAOYSA-N 1 2 274.324 1.262 20 30 CDEDLO N#CCC[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000155781387 261107551 /nfs/dbraw/zinc/10/75/51/261107551.db2.gz CAUDQBUIVGZWJZ-GFCCVEGCSA-N 1 2 255.325 1.822 20 30 CDEDLO N#CCC[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000155781387 261107552 /nfs/dbraw/zinc/10/75/52/261107552.db2.gz CAUDQBUIVGZWJZ-GFCCVEGCSA-N 1 2 255.325 1.822 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(F)cc(F)c2)CC1 ZINC000490778966 261207621 /nfs/dbraw/zinc/20/76/21/261207621.db2.gz PPDBODNHULHODX-UHFFFAOYSA-N 1 2 293.317 1.154 20 30 CDEDLO CCc1nnc(CO[NH+]=C(N)[C@@H](C)OCC(C)C)o1 ZINC000160912430 261231129 /nfs/dbraw/zinc/23/11/29/261231129.db2.gz YKTMUCHEKNPOSF-SECBINFHSA-N 1 2 270.333 1.482 20 30 CDEDLO Cc1nnc(CO[NH+]=C(N)[C@H](C)OCC(C)C)s1 ZINC000271600445 262997271 /nfs/dbraw/zinc/99/72/71/262997271.db2.gz ZLQPCKRKHKZJQO-QMMMGPOBSA-N 1 2 272.374 1.696 20 30 CDEDLO COc1cc(C(N)=[NH+]OCCCO)cc(Cl)c1OC ZINC000271908844 263000162 /nfs/dbraw/zinc/00/01/62/263000162.db2.gz RSNKZTYKRFTYTI-UHFFFAOYSA-N 1 2 288.731 1.377 20 30 CDEDLO Cc1ncc(CO)c(/C=[NH+]/C[C@H]2CCSC2)c1O ZINC000280344319 263060589 /nfs/dbraw/zinc/06/05/89/263060589.db2.gz ALSQBPBFARFCIP-GCIHHOABSA-N 1 2 266.366 1.760 20 30 CDEDLO CO/N=C/C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000283069146 263080940 /nfs/dbraw/zinc/08/09/40/263080940.db2.gz POFMUTLDPHRTBU-MHWRWJLKSA-N 1 2 274.324 1.483 20 30 CDEDLO NC(=[NH+]OCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000283965243 263085272 /nfs/dbraw/zinc/08/52/72/263085272.db2.gz GDNBZODROPLFOC-NSHDSACASA-N 1 2 265.269 1.563 20 30 CDEDLO NC(=[NH+]OCc1ccc(CO)cc1)[C@H]1CCCO1 ZINC000284069924 263085668 /nfs/dbraw/zinc/08/56/68/263085668.db2.gz KAOVHTCVYIXLND-GFCCVEGCSA-N 1 2 250.298 1.147 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000284832193 263088191 /nfs/dbraw/zinc/08/81/91/263088191.db2.gz BEZRRCVEVDWUIY-HNNXBMFYSA-N 1 2 275.352 1.864 20 30 CDEDLO Cc1nc(CC(N)=[NH+]OCCOC2CCC2)cs1 ZINC000288618689 263105046 /nfs/dbraw/zinc/10/50/46/263105046.db2.gz OEKTYJZULWAQHL-UHFFFAOYSA-N 1 2 269.370 1.852 20 30 CDEDLO NC(=[NH+]OCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000288701876 263105393 /nfs/dbraw/zinc/10/53/93/263105393.db2.gz UQGSOTXUNQRPIV-LBPRGKRZSA-N 1 2 279.296 1.605 20 30 CDEDLO Cc1nc(N2CCN(C(=O)CCCC#N)CC2)cc[nH+]1 ZINC000291059230 263119869 /nfs/dbraw/zinc/11/98/69/263119869.db2.gz ATZKLYNVKOKUDR-UHFFFAOYSA-N 1 2 273.340 1.128 20 30 CDEDLO CO/N=C/c1ccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000298931399 263228029 /nfs/dbraw/zinc/22/80/29/263228029.db2.gz APZRPPFPGWNMSU-UWONZBIMSA-N 1 2 286.335 1.682 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000340998418 263315848 /nfs/dbraw/zinc/31/58/48/263315848.db2.gz NATHFRVMQHNJNE-OLZOCXBDSA-N 1 2 260.341 1.127 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000340998418 263315849 /nfs/dbraw/zinc/31/58/49/263315849.db2.gz NATHFRVMQHNJNE-OLZOCXBDSA-N 1 2 260.341 1.127 20 30 CDEDLO COCC1(C#N)CC[NH+]([C@H](C(=O)OC)C2CC2)CC1 ZINC000341998572 263373971 /nfs/dbraw/zinc/37/39/71/263373971.db2.gz VBWQYMOTNARPSB-LBPRGKRZSA-N 1 2 266.341 1.190 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)NCC1CCOCC1 ZINC000330696347 264006109 /nfs/dbraw/zinc/00/61/09/264006109.db2.gz DKEYFFOQJPWVLJ-UHFFFAOYSA-N 1 2 266.345 1.193 20 30 CDEDLO C[C@@H](NC(=O)N(C)Cc1[nH+]ccn1C)C1CCOCC1 ZINC000330715159 264021869 /nfs/dbraw/zinc/02/18/69/264021869.db2.gz YBPACWMQHDISAT-LLVKDONJSA-N 1 2 280.372 1.581 20 30 CDEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1nccs1 ZINC000330858923 264055364 /nfs/dbraw/zinc/05/53/64/264055364.db2.gz TZVXUKDLHMWNRE-IUCAKERBSA-N 1 2 250.327 1.363 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000330954117 264087626 /nfs/dbraw/zinc/08/76/26/264087626.db2.gz MAPLDQAJZPITCL-OAHLLOKOSA-N 1 2 275.352 1.057 20 30 CDEDLO Cc1cc(-n2cc[nH+]c2)ccc1CN1CCO[C@@H](C#N)C1 ZINC000192011809 264551786 /nfs/dbraw/zinc/55/17/86/264551786.db2.gz LDAOEOHYGIOKPU-INIZCTEOSA-N 1 2 282.347 1.905 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425552169 264859015 /nfs/dbraw/zinc/85/90/15/264859015.db2.gz ZDXOVQQFZPMYOC-CMPLNLGQSA-N 1 2 274.324 1.582 20 30 CDEDLO C=C(CNC(=O)[C@@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000360226061 266695490 /nfs/dbraw/zinc/69/54/90/266695490.db2.gz NSSUSSKTNATKJA-CQSZACIVSA-N 1 2 274.364 1.537 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000518384051 267283010 /nfs/dbraw/zinc/28/30/10/267283010.db2.gz VJRAWTLYGMLQEE-AWEZNQCLSA-N 1 2 290.754 1.785 20 30 CDEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC=C(F)C1 ZINC000528429788 268300203 /nfs/dbraw/zinc/30/02/03/268300203.db2.gz HOQVPXRZUCTXJP-CQSZACIVSA-N 1 2 276.311 1.857 20 30 CDEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC=C(F)C1 ZINC000528429788 268300207 /nfs/dbraw/zinc/30/02/07/268300207.db2.gz HOQVPXRZUCTXJP-CQSZACIVSA-N 1 2 276.311 1.857 20 30 CDEDLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489278010 288070887 /nfs/dbraw/zinc/07/08/87/288070887.db2.gz NDXVOMDOVIBTFZ-SNVBAGLBSA-N 1 2 297.355 1.022 20 30 CDEDLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489278010 288070890 /nfs/dbraw/zinc/07/08/90/288070890.db2.gz NDXVOMDOVIBTFZ-SNVBAGLBSA-N 1 2 297.355 1.022 20 30 CDEDLO N#Cc1ccc(C(=O)NCc2cn3ccccc3[nH+]2)[nH]1 ZINC000151649587 289099163 /nfs/dbraw/zinc/09/91/63/289099163.db2.gz CATQQBMSFUWFID-UHFFFAOYSA-N 1 2 265.276 1.464 20 30 CDEDLO N#Cc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)nc1 ZINC000152499274 289136730 /nfs/dbraw/zinc/13/67/30/289136730.db2.gz RBEPYXKLQMOVMW-CYBMUJFWSA-N 1 2 293.330 1.357 20 30 CDEDLO CC[C@@H](C)[C@H](C)C(=O)N=c1[nH][nH]c(CCC[NH2+]C)c1C#N ZINC000540944911 289472698 /nfs/dbraw/zinc/47/26/98/289472698.db2.gz SQPMWGYRPMVKTF-MNOVXSKESA-N 1 2 291.399 1.476 20 30 CDEDLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)[nH]1 ZINC000556820417 290303562 /nfs/dbraw/zinc/30/35/62/290303562.db2.gz TWMBVGALCMMBKS-ZWNOBZJWSA-N 1 2 298.350 1.594 20 30 CDEDLO Cc1nnc([C@@H](C)[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)[nH]1 ZINC000556820417 290303565 /nfs/dbraw/zinc/30/35/65/290303565.db2.gz TWMBVGALCMMBKS-ZWNOBZJWSA-N 1 2 298.350 1.594 20 30 CDEDLO N#Cc1cccc(CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000568637592 294074097 /nfs/dbraw/zinc/07/40/97/294074097.db2.gz SSRZIRSPAGVZOP-OAHLLOKOSA-N 1 2 294.358 1.676 20 30 CDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cn2)CC2(CCOCC2)O1 ZINC000570981019 294345395 /nfs/dbraw/zinc/34/53/95/294345395.db2.gz BJKYIIQMWGLWRZ-ZDUSSCGKSA-N 1 2 287.363 1.723 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)CC2(CCOCC2)O1 ZINC000570981019 294345397 /nfs/dbraw/zinc/34/53/97/294345397.db2.gz BJKYIIQMWGLWRZ-ZDUSSCGKSA-N 1 2 287.363 1.723 20 30 CDEDLO N#CC1(F)CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000345824963 294790736 /nfs/dbraw/zinc/79/07/36/294790736.db2.gz NSHJNCAZQPWOSN-LLVKDONJSA-N 1 2 291.330 1.235 20 30 CDEDLO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000329647450 294822890 /nfs/dbraw/zinc/82/28/90/294822890.db2.gz BGWGEDHNLWTRCK-NQBHXWOUSA-N 1 2 276.361 1.797 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H]1C(F)F ZINC000329701819 295384121 /nfs/dbraw/zinc/38/41/21/295384121.db2.gz HOKJHPHRABLHBF-LDYMZIIASA-N 1 2 284.310 1.911 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H]1C(F)F ZINC000329701819 295384123 /nfs/dbraw/zinc/38/41/23/295384123.db2.gz HOKJHPHRABLHBF-LDYMZIIASA-N 1 2 284.310 1.911 20 30 CDEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cnn2c1CCCC2 ZINC000330292569 295385693 /nfs/dbraw/zinc/38/56/93/295385693.db2.gz DJFCNFKSKLNGNS-LLVKDONJSA-N 1 2 285.351 1.736 20 30 CDEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000300404120 301075451 /nfs/dbraw/zinc/07/54/51/301075451.db2.gz KHDPYNXPVJTKMI-GFCCVEGCSA-N 1 2 293.392 1.191 20 30 CDEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@H+](C)C[C@H]1C ZINC000300404120 301075453 /nfs/dbraw/zinc/07/54/53/301075453.db2.gz KHDPYNXPVJTKMI-GFCCVEGCSA-N 1 2 293.392 1.191 20 30 CDEDLO C[C@@]([NH2+]Cc1ccc(C#N)cn1)(C(N)=O)c1ccccc1 ZINC000577451363 317331278 /nfs/dbraw/zinc/33/12/78/317331278.db2.gz NZDDXGUTLRJLCR-INIZCTEOSA-N 1 2 280.331 1.444 20 30 CDEDLO Cc1c[nH]c(C(C)(C)NC(=O)c2ncc(C#N)cc2C)[nH+]1 ZINC000577642668 317375300 /nfs/dbraw/zinc/37/53/00/317375300.db2.gz PYQYHWHVAFBBSW-UHFFFAOYSA-N 1 2 283.335 1.958 20 30 CDEDLO COCc1cccc(NC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000571075137 328084551 /nfs/dbraw/zinc/08/45/51/328084551.db2.gz KRGKVMQLKCBNCH-HNNXBMFYSA-N 1 2 277.368 1.451 20 30 CDEDLO COCc1cccc(NC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000571075137 328084553 /nfs/dbraw/zinc/08/45/53/328084553.db2.gz KRGKVMQLKCBNCH-HNNXBMFYSA-N 1 2 277.368 1.451 20 30 CDEDLO COC[C@@](C)(C#N)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000339974572 328098184 /nfs/dbraw/zinc/09/81/84/328098184.db2.gz WWLCUUBSSIBFQH-MRXNPFEDSA-N 1 2 298.346 1.590 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cc(OC)ccc1OC ZINC000571462268 328123430 /nfs/dbraw/zinc/12/34/30/328123430.db2.gz NNWUHMFAIDPHKF-NSHDSACASA-N 1 2 291.351 1.924 20 30 CDEDLO CC(C)Oc1cccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)n1 ZINC000571526441 328131779 /nfs/dbraw/zinc/13/17/79/328131779.db2.gz FSDZILDJCMFMAB-HNNXBMFYSA-N 1 2 290.367 1.442 20 30 CDEDLO CCOC(CC/[NH+]=C/c1c(O)c(C)ncc1CO)OCC ZINC000276412156 328218239 /nfs/dbraw/zinc/21/82/39/328218239.db2.gz VVTLMVPXZPJLSG-CXUHLZMHSA-N 1 2 296.367 1.796 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)NC[C@H]1CCCCO1 ZINC000330712824 328469391 /nfs/dbraw/zinc/46/93/91/328469391.db2.gz WDCNMDUNQQBMEA-LLVKDONJSA-N 1 2 266.345 1.335 20 30 CDEDLO C#CCNC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255201510 326957302 /nfs/dbraw/zinc/95/73/02/326957302.db2.gz LOJZYVSOIWKSES-YVMONPNESA-N 1 2 251.289 1.635 20 30 CDEDLO COc1ccccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000558899258 327130479 /nfs/dbraw/zinc/13/04/79/327130479.db2.gz RLLBWQUYDUEICT-CQSZACIVSA-N 1 2 261.325 1.269 20 30 CDEDLO CC(C)(CCC#N)CNC(=O)NCCn1cc[nH+]c1 ZINC000569373274 327167825 /nfs/dbraw/zinc/16/78/25/327167825.db2.gz NUPNIGJYCUFCFU-UHFFFAOYSA-N 1 2 263.345 1.512 20 30 CDEDLO C[C@H]1C[C@]1(C#N)C(=O)NCCCCNc1cccc[nH+]1 ZINC000448913867 327298359 /nfs/dbraw/zinc/29/83/59/327298359.db2.gz UCVJNFXBGMMGGK-SWLSCSKDSA-N 1 2 272.352 1.940 20 30 CDEDLO C[N@H+](Cc1ccc(CC#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000330823842 327369040 /nfs/dbraw/zinc/36/90/40/327369040.db2.gz GSWXXWIRBPINIQ-CQSZACIVSA-N 1 2 278.377 1.372 20 30 CDEDLO C[N@@H+](Cc1ccc(CC#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000330823842 327369042 /nfs/dbraw/zinc/36/90/42/327369042.db2.gz GSWXXWIRBPINIQ-CQSZACIVSA-N 1 2 278.377 1.372 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ncc(C#N)cc1Cl ZINC000570097723 327568985 /nfs/dbraw/zinc/56/89/85/327568985.db2.gz KDOBRVRFVITCOQ-ZDUSSCGKSA-N 1 2 291.742 1.180 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CSCC#N)C1 ZINC000373040867 328973271 /nfs/dbraw/zinc/97/32/71/328973271.db2.gz DOVOIJRKYVZYFW-NSHDSACASA-N 1 2 278.381 1.383 20 30 CDEDLO C=CCCCC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000175553221 329169558 /nfs/dbraw/zinc/16/95/58/329169558.db2.gz HQOAZCSTSOGGDF-UHFFFAOYSA-N 1 2 254.374 1.570 20 30 CDEDLO C=CCCCC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000175553221 329169560 /nfs/dbraw/zinc/16/95/60/329169560.db2.gz HQOAZCSTSOGGDF-UHFFFAOYSA-N 1 2 254.374 1.570 20 30 CDEDLO C=CCOCCCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174500030 329159466 /nfs/dbraw/zinc/15/94/66/329159466.db2.gz JZQWKEURRGVRHA-OAHLLOKOSA-N 1 2 296.411 1.292 20 30 CDEDLO C=CCCCC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000175402371 329165675 /nfs/dbraw/zinc/16/56/75/329165675.db2.gz AUYMNEZMYHWCPH-OAHLLOKOSA-N 1 2 298.452 1.667 20 30 CDEDLO CC(=O)Nc1cccc(NC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000514668965 329172326 /nfs/dbraw/zinc/17/23/26/329172326.db2.gz RHZYXDIIPJLYAS-OAHLLOKOSA-N 1 2 290.367 1.263 20 30 CDEDLO CC(=O)Nc1cccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000514668965 329172329 /nfs/dbraw/zinc/17/23/29/329172329.db2.gz RHZYXDIIPJLYAS-OAHLLOKOSA-N 1 2 290.367 1.263 20 30 CDEDLO C[C@@H]1CC[C@H](CN(CCC#N)CC[NH+]2CCOCC2)O1 ZINC000190628282 329399808 /nfs/dbraw/zinc/39/98/08/329399808.db2.gz YQAWAKOEGKRWTF-HUUCEWRRSA-N 1 2 281.400 1.102 20 30 CDEDLO C#CCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000045596985 329600188 /nfs/dbraw/zinc/60/01/88/329600188.db2.gz AKZCIXRKUCCATK-AWEZNQCLSA-N 1 2 298.346 1.451 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1c(F)cccc1C#N ZINC000580452939 330139169 /nfs/dbraw/zinc/13/91/69/330139169.db2.gz KRENBCRUWMYBRA-OAHLLOKOSA-N 1 2 288.326 1.200 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424064481 330218970 /nfs/dbraw/zinc/21/89/70/330218970.db2.gz OGKPEHJXMMJKDB-SDDRHHMPSA-N 1 2 261.329 1.263 20 30 CDEDLO C[C@@H](C#N)C[NH2+]Cc1cnc(-c2cnn(C)c2)nc1 ZINC000527526075 330257110 /nfs/dbraw/zinc/25/71/10/330257110.db2.gz XKGYAZYDSGWICI-JTQLQIEISA-N 1 2 256.313 1.126 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000452918436 331080424 /nfs/dbraw/zinc/08/04/24/331080424.db2.gz BSJNMXHMQBRDMN-PMPSAXMXSA-N 1 2 286.375 1.721 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000452918436 331080425 /nfs/dbraw/zinc/08/04/25/331080425.db2.gz BSJNMXHMQBRDMN-PMPSAXMXSA-N 1 2 286.375 1.721 20 30 CDEDLO C=C(C)CCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000454529847 331148042 /nfs/dbraw/zinc/14/80/42/331148042.db2.gz RBTVLSSFCKBYTE-UHFFFAOYSA-N 1 2 269.389 1.363 20 30 CDEDLO C=C(C)CCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000454529847 331148043 /nfs/dbraw/zinc/14/80/43/331148043.db2.gz RBTVLSSFCKBYTE-UHFFFAOYSA-N 1 2 269.389 1.363 20 30 CDEDLO C=CCn1cccc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000488869915 332030498 /nfs/dbraw/zinc/03/04/98/332030498.db2.gz RLHOJASPDTZJQO-CYBMUJFWSA-N 1 2 277.368 1.125 20 30 CDEDLO C=CCn1cccc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000488869915 332030499 /nfs/dbraw/zinc/03/04/99/332030499.db2.gz RLHOJASPDTZJQO-CYBMUJFWSA-N 1 2 277.368 1.125 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N(C)Cc1cccc(OC)c1 ZINC000490699193 332105821 /nfs/dbraw/zinc/10/58/21/332105821.db2.gz PBBOMVYVITZDBX-UHFFFAOYSA-N 1 2 298.386 1.612 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N(C)Cc1cccc(OC)c1 ZINC000490699193 332105823 /nfs/dbraw/zinc/10/58/23/332105823.db2.gz PBBOMVYVITZDBX-UHFFFAOYSA-N 1 2 298.386 1.612 20 30 CDEDLO C#CC[N@@H+](Cc1cn(C)nn1)[C@@H]1CCc2ccccc21 ZINC000490839321 332119327 /nfs/dbraw/zinc/11/93/27/332119327.db2.gz IBMSHVPHIHTCKG-MRXNPFEDSA-N 1 2 266.348 1.938 20 30 CDEDLO C#CC[N@H+](Cc1cn(C)nn1)[C@@H]1CCc2ccccc21 ZINC000490839321 332119328 /nfs/dbraw/zinc/11/93/28/332119328.db2.gz IBMSHVPHIHTCKG-MRXNPFEDSA-N 1 2 266.348 1.938 20 30 CDEDLO C#C[C@H](NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)C(C)C ZINC000490974805 332135179 /nfs/dbraw/zinc/13/51/79/332135179.db2.gz QPQRNYIXJJIBMW-MCIONIFRSA-N 1 2 281.400 1.053 20 30 CDEDLO C#CCNC(=O)C1CC[NH+](Cc2c(Cl)cnn2C)CC1 ZINC000491120426 332152086 /nfs/dbraw/zinc/15/20/86/332152086.db2.gz MLTITFJMLIJVBV-UHFFFAOYSA-N 1 2 294.786 1.035 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCC(F)(F)F)Cc1ccccc1 ZINC000491128042 332154677 /nfs/dbraw/zinc/15/46/77/332154677.db2.gz YXDXJYANTRXMPF-UHFFFAOYSA-N 1 2 284.281 1.800 20 30 CDEDLO C#CC[N@H+](CC(=O)NCC(F)(F)F)Cc1ccccc1 ZINC000491128042 332154678 /nfs/dbraw/zinc/15/46/78/332154678.db2.gz YXDXJYANTRXMPF-UHFFFAOYSA-N 1 2 284.281 1.800 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+](CC(=C)C)Cc1ccc(CO)o1 ZINC000491209489 332166399 /nfs/dbraw/zinc/16/63/99/332166399.db2.gz HYILYIORVOUDLJ-ZDUSSCGKSA-N 1 2 290.363 1.288 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+](CC(=C)C)Cc1ccc(CO)o1 ZINC000491209489 332166401 /nfs/dbraw/zinc/16/64/01/332166401.db2.gz HYILYIORVOUDLJ-ZDUSSCGKSA-N 1 2 290.363 1.288 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCc1nc2ccccc2n1C ZINC000491264944 332176769 /nfs/dbraw/zinc/17/67/69/332176769.db2.gz IVQSNYAISSIRIF-ZDUSSCGKSA-N 1 2 269.348 1.450 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCc1nc2ccccc2n1C ZINC000491264944 332176770 /nfs/dbraw/zinc/17/67/70/332176770.db2.gz IVQSNYAISSIRIF-ZDUSSCGKSA-N 1 2 269.348 1.450 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NCCc1ccccc1 ZINC000491566163 332238721 /nfs/dbraw/zinc/23/87/21/332238721.db2.gz DXCMFVFQHGQNMB-HNNXBMFYSA-N 1 2 268.360 1.302 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000491617364 332244312 /nfs/dbraw/zinc/24/43/12/332244312.db2.gz AZGJXKDHJMSLMR-CYBMUJFWSA-N 1 2 286.379 1.714 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000491627061 332250617 /nfs/dbraw/zinc/25/06/17/332250617.db2.gz JPMGWLZHQUSNMU-GFCCVEGCSA-N 1 2 288.347 1.740 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000491627061 332250618 /nfs/dbraw/zinc/25/06/18/332250618.db2.gz JPMGWLZHQUSNMU-GFCCVEGCSA-N 1 2 288.347 1.740 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000491683354 332285848 /nfs/dbraw/zinc/28/58/48/332285848.db2.gz XWBBWHYAWYFGDD-AWEZNQCLSA-N 1 2 286.379 1.715 20 30 CDEDLO C#C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC000491695997 332291511 /nfs/dbraw/zinc/29/15/11/332291511.db2.gz IJWHFRKENRXYRZ-DGCLKSJQSA-N 1 2 259.353 1.610 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1c(F)cccc1F ZINC000491735180 332315412 /nfs/dbraw/zinc/31/54/12/332315412.db2.gz LTNRVTADDOONII-SECBINFHSA-N 1 2 252.264 1.857 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1c(F)cccc1F ZINC000491735180 332315413 /nfs/dbraw/zinc/31/54/13/332315413.db2.gz LTNRVTADDOONII-SECBINFHSA-N 1 2 252.264 1.857 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1=O ZINC000491739121 332318427 /nfs/dbraw/zinc/31/84/27/332318427.db2.gz XGNYTNLLKFNREA-VBTGVMJWSA-N 1 2 274.364 1.319 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1=O ZINC000491739121 332318429 /nfs/dbraw/zinc/31/84/29/332318429.db2.gz XGNYTNLLKFNREA-VBTGVMJWSA-N 1 2 274.364 1.319 20 30 CDEDLO C#CC[NH+]1CCN(Cn2ccc(-c3nccs3)n2)CC1 ZINC000491740867 332319882 /nfs/dbraw/zinc/31/98/82/332319882.db2.gz OYCMNDSWBROPHG-UHFFFAOYSA-N 1 2 287.392 1.215 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cc(C(=O)OC)ccc1C ZINC000491780020 332344624 /nfs/dbraw/zinc/34/46/24/332344624.db2.gz KGJNATXQVYWYMX-LBPRGKRZSA-N 1 2 288.347 1.674 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cc(C(=O)OC)ccc1C ZINC000491780020 332344625 /nfs/dbraw/zinc/34/46/25/332344625.db2.gz KGJNATXQVYWYMX-LBPRGKRZSA-N 1 2 288.347 1.674 20 30 CDEDLO C=C(Br)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493321261 332435302 /nfs/dbraw/zinc/43/53/02/332435302.db2.gz NEWAVBFOIRIAMF-IHWYPQMZSA-N 1 2 256.103 1.448 20 30 CDEDLO Cc1cccn2cc(CC(=O)N(C)[C@@H](C)CC#N)[nH+]c12 ZINC000521228455 333115795 /nfs/dbraw/zinc/11/57/95/333115795.db2.gz METIOQWPPIMNIO-LBPRGKRZSA-N 1 2 270.336 1.946 20 30 CDEDLO CN1CC[N@H+](C)C[C@H]1c1noc(C2(C#N)CCCC2)n1 ZINC000547208914 334073083 /nfs/dbraw/zinc/07/30/83/334073083.db2.gz HTZKEDRILSLBHI-NSHDSACASA-N 1 2 275.356 1.323 20 30 CDEDLO CN1CC[N@@H+](C)C[C@H]1c1noc(C2(C#N)CCCC2)n1 ZINC000547208914 334073084 /nfs/dbraw/zinc/07/30/84/334073084.db2.gz HTZKEDRILSLBHI-NSHDSACASA-N 1 2 275.356 1.323 20 30 CDEDLO CCC[C@@H](C#N)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000549780098 334204709 /nfs/dbraw/zinc/20/47/09/334204709.db2.gz WCDNEJHZSRTZSE-NSHDSACASA-N 1 2 256.309 1.685 20 30 CDEDLO COCCO[C@H]1CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000249363063 334332638 /nfs/dbraw/zinc/33/26/38/334332638.db2.gz LZUVGOSUCXKRMS-OLZOCXBDSA-N 1 2 251.330 1.167 20 30 CDEDLO COCCO[C@H]1CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000249363063 334332639 /nfs/dbraw/zinc/33/26/39/334332639.db2.gz LZUVGOSUCXKRMS-OLZOCXBDSA-N 1 2 251.330 1.167 20 30 CDEDLO C[C@H](C#N)C(=O)NCCC[N@H+](C)Cc1cscn1 ZINC001751952943 1159226876 /nfs/dbraw/zinc/22/68/76/1159226876.db2.gz OXZAVXSMTDOIBR-SNVBAGLBSA-N 1 2 266.370 1.241 20 30 CDEDLO C[C@H](C#N)C(=O)NCCC[N@@H+](C)Cc1cscn1 ZINC001751952943 1159226882 /nfs/dbraw/zinc/22/68/82/1159226882.db2.gz OXZAVXSMTDOIBR-SNVBAGLBSA-N 1 2 266.370 1.241 20 30 CDEDLO CC(C)n1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)n1 ZINC000577066910 335294842 /nfs/dbraw/zinc/29/48/42/335294842.db2.gz RIXYAKVIHJSQKK-ZDUSSCGKSA-N 1 2 263.345 1.038 20 30 CDEDLO C#CC[NH2+][C@H]1CCCCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001088317386 1160366413 /nfs/dbraw/zinc/36/64/13/1160366413.db2.gz ZZTVMFLFEWXDLT-WDEREUQCSA-N 1 2 294.292 1.881 20 30 CDEDLO C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001088317386 1160366419 /nfs/dbraw/zinc/36/64/19/1160366419.db2.gz ZZTVMFLFEWXDLT-WDEREUQCSA-N 1 2 294.292 1.881 20 30 CDEDLO N#CCN[C@H]1CCCCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001088325773 1160367167 /nfs/dbraw/zinc/36/71/67/1160367167.db2.gz YIQZTMKXMWMTAB-AWEZNQCLSA-N 1 2 289.383 1.227 20 30 CDEDLO N#CCN[C@H]1CCCCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001088325773 1160367171 /nfs/dbraw/zinc/36/71/71/1160367171.db2.gz YIQZTMKXMWMTAB-AWEZNQCLSA-N 1 2 289.383 1.227 20 30 CDEDLO C=C[C@@](C)(O)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000669283418 482642178 /nfs/dbraw/zinc/64/21/78/482642178.db2.gz CTCVEJZFBXLOSK-QGZVFWFLSA-N 1 2 299.374 1.827 20 30 CDEDLO C=CCN(C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000681648336 482944785 /nfs/dbraw/zinc/94/47/85/482944785.db2.gz XFDSCHYELWASLL-UHFFFAOYSA-N 1 2 259.353 1.830 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCOc3ccccc3C2)C1=O ZINC000685000247 483064147 /nfs/dbraw/zinc/06/41/47/483064147.db2.gz COXULTYUYQISTM-AWEZNQCLSA-N 1 2 272.348 1.668 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCOc3ccccc3C2)C1=O ZINC000685000247 483064153 /nfs/dbraw/zinc/06/41/53/483064153.db2.gz COXULTYUYQISTM-AWEZNQCLSA-N 1 2 272.348 1.668 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000674753278 483095441 /nfs/dbraw/zinc/09/54/41/483095441.db2.gz IINHIXSXVQMEHH-GFCCVEGCSA-N 1 2 262.357 1.431 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000674753278 483095444 /nfs/dbraw/zinc/09/54/44/483095444.db2.gz IINHIXSXVQMEHH-GFCCVEGCSA-N 1 2 262.357 1.431 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000685769831 483216117 /nfs/dbraw/zinc/21/61/17/483216117.db2.gz VBFHLKKCEHNPKU-INIZCTEOSA-N 1 2 287.363 1.629 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2c(C)n[nH]c2C)C1 ZINC001108284508 1161983330 /nfs/dbraw/zinc/98/33/30/1161983330.db2.gz UWRHMAJDIJMUDG-OAHLLOKOSA-N 1 2 292.383 1.033 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2c(C)n[nH]c2C)C1 ZINC001108284508 1161983332 /nfs/dbraw/zinc/98/33/32/1161983332.db2.gz UWRHMAJDIJMUDG-OAHLLOKOSA-N 1 2 292.383 1.033 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(CC)o2)CC1 ZINC001113022730 1162076938 /nfs/dbraw/zinc/07/69/38/1162076938.db2.gz QDOPLJGUFVANGH-UHFFFAOYSA-N 1 2 292.379 1.802 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)CC(F)(F)F)CC1 ZINC001113139475 1162111803 /nfs/dbraw/zinc/11/18/03/1162111803.db2.gz PNJHNMHVNZGDOO-SNVBAGLBSA-N 1 2 264.291 1.905 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC001113229099 1162133062 /nfs/dbraw/zinc/13/30/62/1162133062.db2.gz CTFHZSTXUWGWNW-GJZGRUSLSA-N 1 2 298.427 1.252 20 30 CDEDLO O=C(CN1CCC[C@@H]1c1[nH]cc[nH+]1)NC(=O)NC1CC1 ZINC000329257014 534337001 /nfs/dbraw/zinc/33/70/01/534337001.db2.gz XXRDATQWEDDGMK-SNVBAGLBSA-N 1 2 277.328 1.580 20 30 CDEDLO C#C[C@@H](C)[NH2+][C@H](C(N)=O)c1ccc(Br)cc1F ZINC000184692476 518352924 /nfs/dbraw/zinc/35/29/24/518352924.db2.gz PDDQLKMOLAICJQ-HQJQHLMTSA-N 1 2 299.143 1.726 20 30 CDEDLO COc1cc(C=NNc2[nH+]ccn2C)cc(OC)c1OC ZINC000790299640 1162143698 /nfs/dbraw/zinc/14/36/98/1162143698.db2.gz GMDDBHSHDPTPAN-UHFFFAOYSA-N 1 2 290.323 1.892 20 30 CDEDLO CC#CCCCC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000184942862 519332524 /nfs/dbraw/zinc/33/25/24/519332524.db2.gz BDBQEJQBOOIQEW-UHFFFAOYSA-N 1 2 285.391 1.919 20 30 CDEDLO N#CC1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000330075070 534585727 /nfs/dbraw/zinc/58/57/27/534585727.db2.gz GCVKVLRGFDFLTR-OAHLLOKOSA-N 1 2 291.395 1.392 20 30 CDEDLO N#CC1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000330075070 534585736 /nfs/dbraw/zinc/58/57/36/534585736.db2.gz GCVKVLRGFDFLTR-OAHLLOKOSA-N 1 2 291.395 1.392 20 30 CDEDLO CCn1ccnc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000366352887 523537320 /nfs/dbraw/zinc/53/73/20/523537320.db2.gz HGSAXOGSFYPSOG-AWEZNQCLSA-N 1 2 297.362 1.823 20 30 CDEDLO CCn1ccnc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000366352887 523537326 /nfs/dbraw/zinc/53/73/26/523537326.db2.gz HGSAXOGSFYPSOG-AWEZNQCLSA-N 1 2 297.362 1.823 20 30 CDEDLO C=C(C)COCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000354949683 526649445 /nfs/dbraw/zinc/64/94/45/526649445.db2.gz KZSJJNIVUKGKFX-HNNXBMFYSA-N 1 2 296.411 1.339 20 30 CDEDLO C=C(C)COCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000354949683 526649449 /nfs/dbraw/zinc/64/94/49/526649449.db2.gz KZSJJNIVUKGKFX-HNNXBMFYSA-N 1 2 296.411 1.339 20 30 CDEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@@H](CO)C1 ZINC000353608838 526934383 /nfs/dbraw/zinc/93/43/83/526934383.db2.gz IYXQRYYIUGMMJQ-CQSZACIVSA-N 1 2 263.337 1.445 20 30 CDEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@@H](CO)C1 ZINC000353608838 526934389 /nfs/dbraw/zinc/93/43/89/526934389.db2.gz IYXQRYYIUGMMJQ-CQSZACIVSA-N 1 2 263.337 1.445 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c(Cl)n(C)nc2CC)CC1 ZINC000105870350 526953618 /nfs/dbraw/zinc/95/36/18/526953618.db2.gz JMBSVAHQLNMHCQ-UHFFFAOYSA-N 1 2 280.803 1.387 20 30 CDEDLO C[C@H](CNC(=O)N[C@@H]1CSC1(C)C)[NH+]1CCOCC1 ZINC000328742835 538363285 /nfs/dbraw/zinc/36/32/85/538363285.db2.gz NBAJIZXDJDCOGO-GHMZBOCLSA-N 1 2 287.429 1.105 20 30 CDEDLO CC(=NNC(N)=[NH2+])c1ccc(Cl)c(Cl)c1O ZINC000727650236 574593388 /nfs/dbraw/zinc/59/33/88/574593388.db2.gz IHBWDSPGRLJSPS-UHFFFAOYSA-N 1 2 261.112 1.906 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000730096326 574848692 /nfs/dbraw/zinc/84/86/92/574848692.db2.gz MVAQZZCNKNEUSV-HNNXBMFYSA-N 1 2 299.374 1.425 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000730096326 574848694 /nfs/dbraw/zinc/84/86/94/574848694.db2.gz MVAQZZCNKNEUSV-HNNXBMFYSA-N 1 2 299.374 1.425 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)Cc1ccc(OCC#N)cc1 ZINC000753680921 574913453 /nfs/dbraw/zinc/91/34/53/574913453.db2.gz YPAIFGBYOFAIMB-UHFFFAOYSA-N 1 2 298.346 1.224 20 30 CDEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2sccc2C(N)=O)CC1 ZINC000731031989 575030649 /nfs/dbraw/zinc/03/06/49/575030649.db2.gz ADNRZLHDCSYHJL-JTQLQIEISA-N 1 2 293.392 1.826 20 30 CDEDLO N#Cc1cn(CC[NH+]2CCOCC2)c2ccccc2c1=O ZINC000731938440 575073102 /nfs/dbraw/zinc/07/31/02/575073102.db2.gz FJZMUNXYWOKRCN-UHFFFAOYSA-N 1 2 283.331 1.205 20 30 CDEDLO CCc1c[nH+]ccc1NC(=O)COc1cccc(C#N)c1 ZINC000733981154 575151847 /nfs/dbraw/zinc/15/18/47/575151847.db2.gz BNTRKXNJVCWOQI-UHFFFAOYSA-N 1 2 281.315 1.955 20 30 CDEDLO C#CCOc1ccccc1CNC(=O)CCCn1cc[nH+]c1 ZINC000734102392 575155684 /nfs/dbraw/zinc/15/56/84/575155684.db2.gz BQSBEXXZQDBWQH-UHFFFAOYSA-N 1 2 297.358 1.992 20 30 CDEDLO C[C@@H]1CC(=NNCC(C)(C)S(C)(=O)=O)C[N@@H+]1C1CC1 ZINC000774486194 575208271 /nfs/dbraw/zinc/20/82/71/575208271.db2.gz XNMINGJRYXOCKD-SNVBAGLBSA-N 1 2 287.429 1.012 20 30 CDEDLO C[C@@H]1CC(=NNCC(C)(C)S(C)(=O)=O)C[N@H+]1C1CC1 ZINC000774486194 575208272 /nfs/dbraw/zinc/20/82/72/575208272.db2.gz XNMINGJRYXOCKD-SNVBAGLBSA-N 1 2 287.429 1.012 20 30 CDEDLO N#CCCNC(=O)C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000734487399 575348776 /nfs/dbraw/zinc/34/87/76/575348776.db2.gz GLYWHRWLCXKEBO-AWEZNQCLSA-N 1 2 289.404 1.806 20 30 CDEDLO N#CCCNC(=O)C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000734487399 575348778 /nfs/dbraw/zinc/34/87/78/575348778.db2.gz GLYWHRWLCXKEBO-AWEZNQCLSA-N 1 2 289.404 1.806 20 30 CDEDLO N#CCCNC(=O)C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000770689152 575487332 /nfs/dbraw/zinc/48/73/32/575487332.db2.gz OBJDFLGUYHZKTE-INIZCTEOSA-N 1 2 285.347 1.148 20 30 CDEDLO N#CCCNC(=O)C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000770689152 575487335 /nfs/dbraw/zinc/48/73/35/575487335.db2.gz OBJDFLGUYHZKTE-INIZCTEOSA-N 1 2 285.347 1.148 20 30 CDEDLO S=c1[nH][nH]c(=S)n1N=Cc1cccc2[nH+]ccn21 ZINC000771098644 575548604 /nfs/dbraw/zinc/54/86/04/575548604.db2.gz SGUZYQSSFTURCV-UHFFFAOYSA-N 1 2 276.350 1.385 20 30 CDEDLO Cc1nc(Cl)cc(N[NH+]=Cc2cccnc2N)n1 ZINC000764690458 575934228 /nfs/dbraw/zinc/93/42/28/575934228.db2.gz RAFWUDGHCKRBHH-UHFFFAOYSA-N 1 2 262.704 1.862 20 30 CDEDLO N#Cc1ccc(CNc2cc(N3CCOCC3)nc[nH+]2)nc1 ZINC000764897188 575961772 /nfs/dbraw/zinc/96/17/72/575961772.db2.gz BCUCSIUWOAUICB-UHFFFAOYSA-N 1 2 296.334 1.192 20 30 CDEDLO N#Cc1ccc(CNc2cc(N3CCOCC3)[nH+]cn2)nc1 ZINC000764897188 575961774 /nfs/dbraw/zinc/96/17/74/575961774.db2.gz BCUCSIUWOAUICB-UHFFFAOYSA-N 1 2 296.334 1.192 20 30 CDEDLO CC1(C)C[NH+]=C(N2CCN(CC3(C#N)CC3)CC2)S1 ZINC000767120675 576162055 /nfs/dbraw/zinc/16/20/55/576162055.db2.gz VMGGIGGJKAGDMU-UHFFFAOYSA-N 1 2 278.425 1.789 20 30 CDEDLO COCC[N@H+](CCC#N)Cc1c(O)cccc1OC ZINC000769335969 576347237 /nfs/dbraw/zinc/34/72/37/576347237.db2.gz YWKFWZIXWGZXMM-UHFFFAOYSA-N 1 2 264.325 1.763 20 30 CDEDLO COCC[N@@H+](CCC#N)Cc1c(O)cccc1OC ZINC000769335969 576347240 /nfs/dbraw/zinc/34/72/40/576347240.db2.gz YWKFWZIXWGZXMM-UHFFFAOYSA-N 1 2 264.325 1.763 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)NC)c1 ZINC000760122637 576459563 /nfs/dbraw/zinc/45/95/63/576459563.db2.gz AFCBZVPWEWJEMC-AWEZNQCLSA-N 1 2 285.347 1.082 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)NC)c1 ZINC000760122637 576459566 /nfs/dbraw/zinc/45/95/66/576459566.db2.gz AFCBZVPWEWJEMC-AWEZNQCLSA-N 1 2 285.347 1.082 20 30 CDEDLO C=C(Cl)CNC(=O)[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000742080317 576581092 /nfs/dbraw/zinc/58/10/92/576581092.db2.gz RDDAHYJZPREGGH-CYBMUJFWSA-N 1 2 288.819 1.992 20 30 CDEDLO COCc1ccc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)o1 ZINC000761840138 576596705 /nfs/dbraw/zinc/59/67/05/576596705.db2.gz YHEVOKAKRFQWCB-UHFFFAOYSA-N 1 2 298.306 1.848 20 30 CDEDLO CCC(N=Nc1ccc(-n2cc[nH+]c2)nn1)c1ccn(C)n1 ZINC000761839672 576596729 /nfs/dbraw/zinc/59/67/29/576596729.db2.gz UDACHGBIWCRTFB-UHFFFAOYSA-N 1 2 296.338 1.622 20 30 CDEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)c1cnccn1 ZINC000761839798 576596740 /nfs/dbraw/zinc/59/67/40/576596740.db2.gz VWTQHSPVLGFFEO-UHFFFAOYSA-N 1 2 280.295 1.288 20 30 CDEDLO NC(=[NH+]OC[C@@H]1CC2(CC2)C(=O)O1)c1ccc(F)cc1 ZINC000762192364 576627864 /nfs/dbraw/zinc/62/78/64/576627864.db2.gz HWWZFIFHOSSBLQ-NSHDSACASA-N 1 2 278.283 1.558 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Cc2cc3ccccc3o2)CC1 ZINC000744419286 576679771 /nfs/dbraw/zinc/67/97/71/576679771.db2.gz WYCBBSXBXYSMNO-UHFFFAOYSA-N 1 2 282.343 1.753 20 30 CDEDLO COCC#CC[NH+]1CCN(C(=O)OCC(C)C)CC1 ZINC000762921007 576692583 /nfs/dbraw/zinc/69/25/83/576692583.db2.gz ZPYSVOPCNZDIKX-UHFFFAOYSA-N 1 2 268.357 1.046 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746323111 576770109 /nfs/dbraw/zinc/77/01/09/576770109.db2.gz DENHFYQZRBEBIW-VIFPVBQESA-N 1 2 259.300 1.334 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)[C@H]2CCC(=O)[C@@H](C)C2)CC1 ZINC000763989797 576771425 /nfs/dbraw/zinc/77/14/25/576771425.db2.gz DMTJEGCOHXQFBM-KBPBESRZSA-N 1 2 276.380 1.159 20 30 CDEDLO O=C(C#Cc1ccccc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000747200538 576862538 /nfs/dbraw/zinc/86/25/38/576862538.db2.gz ZFKNSGVEISQSOD-KRWDZBQOSA-N 1 2 298.386 1.361 20 30 CDEDLO C=CCn1nnn(C[N@@H+](CCOC)C2CCCC2)c1=S ZINC000747792196 576884749 /nfs/dbraw/zinc/88/47/49/576884749.db2.gz OTBSJZNWRNOZAS-UHFFFAOYSA-N 1 2 297.428 1.844 20 30 CDEDLO C=CCn1nnn(C[N@H+](CCOC)C2CCCC2)c1=S ZINC000747792196 576884751 /nfs/dbraw/zinc/88/47/51/576884751.db2.gz OTBSJZNWRNOZAS-UHFFFAOYSA-N 1 2 297.428 1.844 20 30 CDEDLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)c1ccc(C#N)cc1 ZINC000748290949 576903976 /nfs/dbraw/zinc/90/39/76/576903976.db2.gz ORMXUVQUDOPVGW-AWEZNQCLSA-N 1 2 286.331 1.768 20 30 CDEDLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)c1ccc(C#N)cc1 ZINC000748290949 576903977 /nfs/dbraw/zinc/90/39/77/576903977.db2.gz ORMXUVQUDOPVGW-AWEZNQCLSA-N 1 2 286.331 1.768 20 30 CDEDLO CCC(CC)([NH2+]C[C@H](O)c1ccc(C#N)cc1)C(=O)OC ZINC000754919890 576922031 /nfs/dbraw/zinc/92/20/31/576922031.db2.gz SSWDXIQOMIVMAF-AWEZNQCLSA-N 1 2 290.363 1.913 20 30 CDEDLO C(=[NH+]O[C@H]1CCCCO1)c1cnc(N2CCCC2)nc1 ZINC000755821779 576963357 /nfs/dbraw/zinc/96/33/57/576963357.db2.gz IAAZGXSLLHDOAZ-ZDUSSCGKSA-N 1 2 276.340 1.954 20 30 CDEDLO C[C@@H](CO)N[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000749820639 576964586 /nfs/dbraw/zinc/96/45/86/576964586.db2.gz HJULMUPGBAYBHC-NSHDSACASA-N 1 2 251.330 1.574 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCc2ccc(C#N)cc21 ZINC000757522052 577041165 /nfs/dbraw/zinc/04/11/65/577041165.db2.gz SSNKJWZJQDAHDD-HNNXBMFYSA-N 1 2 279.343 1.545 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCc2ccc(C#N)cc21 ZINC000757522052 577041167 /nfs/dbraw/zinc/04/11/67/577041167.db2.gz SSNKJWZJQDAHDD-HNNXBMFYSA-N 1 2 279.343 1.545 20 30 CDEDLO CCC#C[C@@H](C)[NH+]1CCN(C2=NC[C@H](C)S2)CC1 ZINC000757662623 577049416 /nfs/dbraw/zinc/04/94/16/577049416.db2.gz PNQBISPAIFEICR-OLZOCXBDSA-N 1 2 265.426 1.897 20 30 CDEDLO Cc1noc(C2CC[NH+](Cn3cccc(C#N)c3=O)CC2)n1 ZINC000758198977 577080892 /nfs/dbraw/zinc/08/08/92/577080892.db2.gz YIXWNVXRZCARHV-UHFFFAOYSA-N 1 2 299.334 1.249 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([NH2+][C@H](C)c2nc(CC)no2)C1 ZINC001690220698 1175406891 /nfs/dbraw/zinc/40/68/91/1175406891.db2.gz RTLPKHWVSIBVMR-NEPJUHHUSA-N 1 2 292.383 1.850 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2ccc(CC)o2)CC1 ZINC000981469416 613157666 /nfs/dbraw/zinc/15/76/66/613157666.db2.gz YDEVLEGRKUHBEI-UHFFFAOYSA-N 1 2 260.337 1.623 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2ccc(CC)o2)CC1 ZINC000981469416 613157667 /nfs/dbraw/zinc/15/76/67/613157667.db2.gz YDEVLEGRKUHBEI-UHFFFAOYSA-N 1 2 260.337 1.623 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCF)CC[C@H]2C)nc1 ZINC000968548223 613187165 /nfs/dbraw/zinc/18/71/65/613187165.db2.gz FCFGVOHNIRLOLA-IUODEOHRSA-N 1 2 289.354 1.473 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCF)CC[C@H]2C)nc1 ZINC000968548223 613187168 /nfs/dbraw/zinc/18/71/68/613187168.db2.gz FCFGVOHNIRLOLA-IUODEOHRSA-N 1 2 289.354 1.473 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2sc(C)nc2C)C1 ZINC000968628350 613217204 /nfs/dbraw/zinc/21/72/04/613217204.db2.gz WZRKYQHLVJBCBZ-MFKMUULPSA-N 1 2 291.420 1.833 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2sc(C)nc2C)C1 ZINC000968628350 613217207 /nfs/dbraw/zinc/21/72/07/613217207.db2.gz WZRKYQHLVJBCBZ-MFKMUULPSA-N 1 2 291.420 1.833 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CC[C@@H](OC)C2)C1 ZINC000950649030 613295430 /nfs/dbraw/zinc/29/54/30/613295430.db2.gz DDLIZEKFYGYTJA-DZGCQCFKSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCOC2)C1 ZINC000949779811 613295604 /nfs/dbraw/zinc/29/56/04/613295604.db2.gz DYLXVAXROOUYCW-ZDUSSCGKSA-N 1 2 266.385 1.522 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cn(C)nc2OC)C1 ZINC000951125673 613296826 /nfs/dbraw/zinc/29/68/26/613296826.db2.gz BLSUJGZOVGAVOX-UHFFFAOYSA-N 1 2 292.383 1.151 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cccnn2)C1 ZINC000956997148 613296864 /nfs/dbraw/zinc/29/68/64/613296864.db2.gz NQFYBNHJAXCALV-UHFFFAOYSA-N 1 2 260.341 1.199 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnc(C)nc2C)C1 ZINC000956971895 613297284 /nfs/dbraw/zinc/29/72/84/613297284.db2.gz AVQARLKQKCBLQI-UHFFFAOYSA-N 1 2 288.395 1.816 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnn(CC)c2C)C1 ZINC000956994112 613297473 /nfs/dbraw/zinc/29/74/73/613297473.db2.gz AAZQMVGLKRWSFN-UHFFFAOYSA-N 1 2 290.411 1.934 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(C)n(C(F)F)n2)CC1 ZINC000948552050 613320061 /nfs/dbraw/zinc/32/00/61/613320061.db2.gz AGVVJXFGHTZQNY-UHFFFAOYSA-N 1 2 298.337 1.921 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(C)nnc2CC)CC1 ZINC000948935705 613320081 /nfs/dbraw/zinc/32/00/81/613320081.db2.gz SPCFIMSNNVXIGU-UHFFFAOYSA-N 1 2 288.395 1.681 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnn3c2CCC3)CC1 ZINC000948649307 613321828 /nfs/dbraw/zinc/32/18/28/613321828.db2.gz JPJYGTPAKDEMAX-UHFFFAOYSA-N 1 2 274.368 1.163 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cccnn2)C1 ZINC000970635220 613371790 /nfs/dbraw/zinc/37/17/90/613371790.db2.gz VQYFVAWPNOGAFM-SNVBAGLBSA-N 1 2 280.759 1.279 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccnc2)C1 ZINC000969205370 613372481 /nfs/dbraw/zinc/37/24/81/613372481.db2.gz GMJCETGBSCBMQX-NSHDSACASA-N 1 2 279.771 1.884 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cn2nccc2C)CC1 ZINC000982049485 613373495 /nfs/dbraw/zinc/37/34/95/613373495.db2.gz ZYFMNJNLBFRKSA-UHFFFAOYSA-N 1 2 296.802 1.478 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cn2nccc2C)CC1 ZINC000982049485 613373496 /nfs/dbraw/zinc/37/34/96/613373496.db2.gz ZYFMNJNLBFRKSA-UHFFFAOYSA-N 1 2 296.802 1.478 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccnn2)C1 ZINC000968460899 613375781 /nfs/dbraw/zinc/37/57/81/613375781.db2.gz YOFYFTZSGNTRTC-ZWNOBZJWSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccnn2)C1 ZINC000968460899 613375782 /nfs/dbraw/zinc/37/57/82/613375782.db2.gz YOFYFTZSGNTRTC-ZWNOBZJWSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cncn2C)C1 ZINC000967263948 613375903 /nfs/dbraw/zinc/37/59/03/613375903.db2.gz CRPHHWUPERMRIL-ZYHUDNBSSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cncn2C)C1 ZINC000967263948 613375904 /nfs/dbraw/zinc/37/59/04/613375904.db2.gz CRPHHWUPERMRIL-ZYHUDNBSSA-N 1 2 296.802 1.613 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000969830405 613503420 /nfs/dbraw/zinc/50/34/20/613503420.db2.gz LCYAORALSIUKQR-BXUZGUMPSA-N 1 2 294.424 1.831 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccns2)C1 ZINC000966494474 613573205 /nfs/dbraw/zinc/57/32/05/613573205.db2.gz XMZJCTGCXVCORC-NEPJUHHUSA-N 1 2 277.393 1.607 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccns2)C1 ZINC000966494474 613573206 /nfs/dbraw/zinc/57/32/06/613573206.db2.gz XMZJCTGCXVCORC-NEPJUHHUSA-N 1 2 277.393 1.607 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cncs2)C1 ZINC000965419478 613594805 /nfs/dbraw/zinc/59/48/05/613594805.db2.gz PWKWUWWTTAVXCR-NWDGAFQWSA-N 1 2 277.393 1.607 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cncs2)C1 ZINC000965419478 613594806 /nfs/dbraw/zinc/59/48/06/613594806.db2.gz PWKWUWWTTAVXCR-NWDGAFQWSA-N 1 2 277.393 1.607 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCCOC2)C1 ZINC000949750773 613655360 /nfs/dbraw/zinc/65/53/60/613655360.db2.gz GICWNFOKGQMTAO-LBPRGKRZSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2ccc(OC)nc2)CC1 ZINC000949241090 613707817 /nfs/dbraw/zinc/70/78/17/613707817.db2.gz GWGDHAVFFORRFY-UHFFFAOYSA-N 1 2 289.379 1.353 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CO[C@@H]2CCC[C@H](C)C2)CC1 ZINC000951122972 613708356 /nfs/dbraw/zinc/70/83/56/613708356.db2.gz OKNBYFVACFOSMA-LSDHHAIUSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc(C)c(OC)c2)CC1 ZINC000949193255 613709463 /nfs/dbraw/zinc/70/94/63/613709463.db2.gz PSODOIHLDNACGH-UHFFFAOYSA-N 1 2 288.391 1.876 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCO[C@H](CC)C2)CC1 ZINC000957107289 613711026 /nfs/dbraw/zinc/71/10/26/613711026.db2.gz QTZXLSAYNGKJHI-ZIAGYGMSSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@]23CCO[C@H]2CCCC3)CC1 ZINC000949241326 613712114 /nfs/dbraw/zinc/71/21/14/613712114.db2.gz REEZLDAIVOETHO-GOEBONIOSA-N 1 2 278.396 1.666 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]nc2-c2ccncc2)CC1 ZINC000949084019 613714329 /nfs/dbraw/zinc/71/43/29/613714329.db2.gz SFCPUGQGEIMLRM-UHFFFAOYSA-N 1 2 297.362 1.416 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc3ccccc3c(=O)o2)CC1 ZINC000948548709 613714981 /nfs/dbraw/zinc/71/49/81/613714981.db2.gz OSDONMVBSSFVNK-UHFFFAOYSA-N 1 2 298.342 1.737 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc(-n3ccnn3)c2)CC1 ZINC000957924351 613716946 /nfs/dbraw/zinc/71/69/46/613716946.db2.gz RQTKSWVDLJXLEQ-UHFFFAOYSA-N 1 2 297.362 1.211 20 30 CDEDLO C=CC[NH2+][C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000968752544 613865280 /nfs/dbraw/zinc/86/52/80/613865280.db2.gz NROWTEMWAUMJOC-SFYZADRCSA-N 1 2 254.227 1.263 20 30 CDEDLO C=CC[NH2+][C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000968752544 613865282 /nfs/dbraw/zinc/86/52/82/613865282.db2.gz NROWTEMWAUMJOC-SFYZADRCSA-N 1 2 254.227 1.263 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@@H](C)c1nc(C)sc1C ZINC000393875852 617537158 /nfs/dbraw/zinc/53/71/58/617537158.db2.gz FNSKFVMOCHZLAF-QMMMGPOBSA-N 1 2 253.371 1.713 20 30 CDEDLO CCc1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)o1 ZINC000971218524 615705804 /nfs/dbraw/zinc/70/58/04/615705804.db2.gz OFHGTRGIYWZOMO-VXGBXAGGSA-N 1 2 290.367 1.429 20 30 CDEDLO CCc1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)o1 ZINC000971218524 615705807 /nfs/dbraw/zinc/70/58/07/615705807.db2.gz OFHGTRGIYWZOMO-VXGBXAGGSA-N 1 2 290.367 1.429 20 30 CDEDLO COC(=O)[C@H](C)Oc1ccccc1C[NH2+]C[C@H](C)C#N ZINC000893543659 618079509 /nfs/dbraw/zinc/07/95/09/618079509.db2.gz DUXUBZRDSCATHL-NEPJUHHUSA-N 1 2 276.336 1.876 20 30 CDEDLO N#C[C@@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCSC1 ZINC000931298700 617695247 /nfs/dbraw/zinc/69/52/47/617695247.db2.gz ABFMKVDYMHWDCO-ZDUSSCGKSA-N 1 2 272.333 1.692 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000892839948 617813491 /nfs/dbraw/zinc/81/34/91/617813491.db2.gz XELBOJWKUSZTME-RBSFLKMASA-N 1 2 293.411 1.293 20 30 CDEDLO O=C(NO)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000782172329 618049047 /nfs/dbraw/zinc/04/90/47/618049047.db2.gz QTRMPZRGDKVUCI-LBPRGKRZSA-N 1 2 252.289 1.686 20 30 CDEDLO O=C(NO)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000782172329 618049055 /nfs/dbraw/zinc/04/90/55/618049055.db2.gz QTRMPZRGDKVUCI-LBPRGKRZSA-N 1 2 252.289 1.686 20 30 CDEDLO CC(C)(C#N)CS(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000786974752 618369406 /nfs/dbraw/zinc/36/94/06/618369406.db2.gz IGGNDXSRFJMEJD-UHFFFAOYSA-N 1 2 292.364 1.303 20 30 CDEDLO CCOc1cccc(F)c1C[NH2+][C@@H]1CCCN(O)C1=O ZINC000895158188 619373983 /nfs/dbraw/zinc/37/39/83/619373983.db2.gz XUAYWVPMONCTRB-GFCCVEGCSA-N 1 2 282.315 1.694 20 30 CDEDLO CSc1ccc(C[NH2+][C@H]2CCCN(O)C2=O)o1 ZINC000895158663 619374475 /nfs/dbraw/zinc/37/44/75/619374475.db2.gz LZULZEJGWTWWGI-VIFPVBQESA-N 1 2 256.327 1.471 20 30 CDEDLO C#CCSCC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000889684548 620934481 /nfs/dbraw/zinc/93/44/81/620934481.db2.gz RTRADBSKAJBJMI-LBPRGKRZSA-N 1 2 275.377 1.143 20 30 CDEDLO C#Cc1ccc(NC2CC[NH+](CC(=O)OC)CC2)cc1 ZINC000898505051 621770598 /nfs/dbraw/zinc/77/05/98/621770598.db2.gz KGGXUTYNSBAEAD-UHFFFAOYSA-N 1 2 272.348 1.717 20 30 CDEDLO C=CCC1(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)CCOCC1 ZINC000898502583 621777701 /nfs/dbraw/zinc/77/77/01/621777701.db2.gz GDLSAPCGNLMGQI-CQSZACIVSA-N 1 2 298.402 1.909 20 30 CDEDLO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)CCOCC1 ZINC000898502583 621777703 /nfs/dbraw/zinc/77/77/03/621777703.db2.gz GDLSAPCGNLMGQI-CQSZACIVSA-N 1 2 298.402 1.909 20 30 CDEDLO C#CC[N@H+](CN1C(=O)C[C@@H](Cc2ccccc2)C1=O)C(C)C ZINC000905747825 626943968 /nfs/dbraw/zinc/94/39/68/626943968.db2.gz DTRRERIMHDQZQA-MRXNPFEDSA-N 1 2 298.386 1.905 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)C[C@@H](Cc2ccccc2)C1=O)C(C)C ZINC000905747825 626943971 /nfs/dbraw/zinc/94/39/71/626943971.db2.gz DTRRERIMHDQZQA-MRXNPFEDSA-N 1 2 298.386 1.905 20 30 CDEDLO Cc1ccnc(SC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000905975522 627065001 /nfs/dbraw/zinc/06/50/01/627065001.db2.gz CYIWXZJTIKTUBT-LBPRGKRZSA-N 1 2 265.382 1.689 20 30 CDEDLO Cc1ccnc(SC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000905975522 627065003 /nfs/dbraw/zinc/06/50/03/627065003.db2.gz CYIWXZJTIKTUBT-LBPRGKRZSA-N 1 2 265.382 1.689 20 30 CDEDLO C=CCC[C@H]1CCCN1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000912451002 630020961 /nfs/dbraw/zinc/02/09/61/630020961.db2.gz LVEUGUNEQHTCGY-GJZGRUSLSA-N 1 2 295.427 1.847 20 30 CDEDLO C=CCC[C@H]1CCCN1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000912451002 630020965 /nfs/dbraw/zinc/02/09/65/630020965.db2.gz LVEUGUNEQHTCGY-GJZGRUSLSA-N 1 2 295.427 1.847 20 30 CDEDLO CCOc1ccc(/C=[NH+]\CCCC(N)=O)c(O)c1 ZINC000915980421 631879039 /nfs/dbraw/zinc/87/90/39/631879039.db2.gz REGHUKHWPDCOBL-DHDCSXOGSA-N 1 2 250.298 1.475 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C#N)C1CCCC1 ZINC000921549015 633073137 /nfs/dbraw/zinc/07/31/37/633073137.db2.gz CMFONSWIQCNASE-GWCFXTLKSA-N 1 2 260.341 1.787 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C#N)C1CCCC1 ZINC000921549015 633073142 /nfs/dbraw/zinc/07/31/42/633073142.db2.gz CMFONSWIQCNASE-GWCFXTLKSA-N 1 2 260.341 1.787 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3nc(C)no3)C[C@H]21 ZINC001114002332 1162399422 /nfs/dbraw/zinc/39/94/22/1162399422.db2.gz KPIYUXLKVHQVFW-PQFRYHKHSA-N 1 2 290.367 1.452 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3nc(C)no3)C[C@H]21 ZINC001114002332 1162399425 /nfs/dbraw/zinc/39/94/25/1162399425.db2.gz KPIYUXLKVHQVFW-PQFRYHKHSA-N 1 2 290.367 1.452 20 30 CDEDLO C#Cc1cncc(C(=O)N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000806444854 1162681919 /nfs/dbraw/zinc/68/19/19/1162681919.db2.gz GNVAKAYGRZNVTH-LLVKDONJSA-N 1 2 254.293 1.078 20 30 CDEDLO C#Cc1cncc(C(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000806845067 1162710276 /nfs/dbraw/zinc/71/02/76/1162710276.db2.gz SDEAAAPBQNUYIG-UHFFFAOYSA-N 1 2 262.272 1.963 20 30 CDEDLO CCCC1N=NC(=S)N1N=C1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000808008277 1162797816 /nfs/dbraw/zinc/79/78/16/1162797816.db2.gz CKTMNBRQOUOSEQ-VIFPVBQESA-N 1 2 279.413 1.980 20 30 CDEDLO CCCC1N=NC(=S)N1N=C1C[C@H](C)[N@H+](C2CC2)C1 ZINC000808008277 1162797820 /nfs/dbraw/zinc/79/78/20/1162797820.db2.gz CKTMNBRQOUOSEQ-VIFPVBQESA-N 1 2 279.413 1.980 20 30 CDEDLO COCC[C@@](C)(C#N)NC(=O)c1cccc2[nH+]ccn21 ZINC000809013763 1162940839 /nfs/dbraw/zinc/94/08/39/1162940839.db2.gz BUTXFYCJNNGLMI-AWEZNQCLSA-N 1 2 272.308 1.383 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1-c1ccc(OCC#N)cc1 ZINC001212605115 1163030033 /nfs/dbraw/zinc/03/00/33/1163030033.db2.gz MHOBOCLDLKCDHV-UHFFFAOYSA-N 1 2 286.291 1.534 20 30 CDEDLO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1[nH]nc(C)c1C ZINC001024370690 1159400422 /nfs/dbraw/zinc/40/04/22/1159400422.db2.gz YBGVXPSJZUVZBG-CQSZACIVSA-N 1 2 288.395 1.634 20 30 CDEDLO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1[nH]nc(C)c1C ZINC001024370690 1159400425 /nfs/dbraw/zinc/40/04/25/1159400425.db2.gz YBGVXPSJZUVZBG-CQSZACIVSA-N 1 2 288.395 1.634 20 30 CDEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)co1 ZINC001027336424 1159664135 /nfs/dbraw/zinc/66/41/35/1159664135.db2.gz QHRIBRKEUOBAEU-FZMZJTMJSA-N 1 2 290.367 1.566 20 30 CDEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)co1 ZINC001027336424 1159664138 /nfs/dbraw/zinc/66/41/38/1159664138.db2.gz QHRIBRKEUOBAEU-FZMZJTMJSA-N 1 2 290.367 1.566 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C[C@H](C)SC)C1 ZINC001753649638 1159868817 /nfs/dbraw/zinc/86/88/17/1159868817.db2.gz GKPIJWBBKMVHKQ-QWHCGFSZSA-N 1 2 286.441 1.521 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C[C@H](C)SC)C1 ZINC001753649638 1159868830 /nfs/dbraw/zinc/86/88/30/1159868830.db2.gz GKPIJWBBKMVHKQ-QWHCGFSZSA-N 1 2 286.441 1.521 20 30 CDEDLO C=C(Br)CNC(=O)NCCn1cc[nH+]c1 ZINC000049371097 1160228673 /nfs/dbraw/zinc/22/86/73/1160228673.db2.gz OKEJGGYXSSAWGP-UHFFFAOYSA-N 1 2 273.134 1.091 20 30 CDEDLO Cc1cc(C[N@@H+](C)CCN(C)C(=O)[C@H](C)C#N)on1 ZINC001271978247 1160391720 /nfs/dbraw/zinc/39/17/20/1160391720.db2.gz YJJBOTULEPWHQO-SNVBAGLBSA-N 1 2 264.329 1.033 20 30 CDEDLO Cc1cc(C[N@H+](C)CCN(C)C(=O)[C@H](C)C#N)on1 ZINC001271978247 1160391728 /nfs/dbraw/zinc/39/17/28/1160391728.db2.gz YJJBOTULEPWHQO-SNVBAGLBSA-N 1 2 264.329 1.033 20 30 CDEDLO Cc1noc([C@H](C)[NH2+][C@H](C)CNC(=O)C#CC(C)(C)C)n1 ZINC001752869358 1160816296 /nfs/dbraw/zinc/81/62/96/1160816296.db2.gz KFQUPZNJKFQKFZ-MNOVXSKESA-N 1 2 292.383 1.583 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C)c(NC(C)=O)c2)C1 ZINC001030362091 1161004290 /nfs/dbraw/zinc/00/42/90/1161004290.db2.gz JXEIDQOXJCXTJM-UHFFFAOYSA-N 1 2 299.374 1.391 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C2(C3CCC3)CCC2)C1 ZINC001030751941 1161062045 /nfs/dbraw/zinc/06/20/45/1161062045.db2.gz AEDVNAVHBHBJKI-UHFFFAOYSA-N 1 2 260.381 1.781 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cc1 ZINC001032250863 1161307538 /nfs/dbraw/zinc/30/75/38/1161307538.db2.gz NJQOYQQJPFOWPA-GJZGRUSLSA-N 1 2 272.323 1.748 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cc1 ZINC001032250863 1161307544 /nfs/dbraw/zinc/30/75/44/1161307544.db2.gz NJQOYQQJPFOWPA-GJZGRUSLSA-N 1 2 272.323 1.748 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)OCCCC)CC1 ZINC001112676105 1162050984 /nfs/dbraw/zinc/05/09/84/1162050984.db2.gz BQOYPTUOSNFOGN-ZDUSSCGKSA-N 1 2 254.374 1.522 20 30 CDEDLO C=C[C@@H](CO)Nc1[nH+]c(C)cc(C)c1C(=O)OC ZINC001158814326 1163604864 /nfs/dbraw/zinc/60/48/64/1163604864.db2.gz DBZGDMXUORNQMM-JTQLQIEISA-N 1 2 250.298 1.444 20 30 CDEDLO CNC(=O)[C@H](C)Nc1[nH+]ccc2ccc(C#N)cc21 ZINC001158984500 1163907555 /nfs/dbraw/zinc/90/75/55/1163907555.db2.gz SICWJPASODXQGY-VIFPVBQESA-N 1 2 254.293 1.653 20 30 CDEDLO CC(C)(C#N)C[NH2+]C1CC[NH+](CCCC(=O)[O-])CC1 ZINC001609647466 1165026438 /nfs/dbraw/zinc/02/64/38/1165026438.db2.gz NLCQHTPOTVRYCX-UHFFFAOYSA-N 1 2 267.373 1.455 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(S(N)(=O)=O)c2)C1 ZINC000877622967 1166069046 /nfs/dbraw/zinc/06/90/46/1166069046.db2.gz WALOIZINSAOYJT-LBPRGKRZSA-N 1 2 293.392 1.460 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](Cc2cccc(S(N)(=O)=O)c2)C1 ZINC000877622967 1166069053 /nfs/dbraw/zinc/06/90/53/1166069053.db2.gz WALOIZINSAOYJT-LBPRGKRZSA-N 1 2 293.392 1.460 20 30 CDEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cc[nH]n1)CCC2 ZINC001137126602 1166131224 /nfs/dbraw/zinc/13/12/24/1166131224.db2.gz RHESFHZBEMEGKM-UHFFFAOYSA-N 1 2 287.367 1.715 20 30 CDEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cc[nH]n1)CCC2 ZINC001137126602 1166131226 /nfs/dbraw/zinc/13/12/26/1166131226.db2.gz RHESFHZBEMEGKM-UHFFFAOYSA-N 1 2 287.367 1.715 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000878591804 1166212916 /nfs/dbraw/zinc/21/29/16/1166212916.db2.gz GLRLEGALVIEFHO-GFCCVEGCSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000878591804 1166212922 /nfs/dbraw/zinc/21/29/22/1166212922.db2.gz GLRLEGALVIEFHO-GFCCVEGCSA-N 1 2 254.374 1.426 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)Nc3n[nH]cc3C#N)ccn12 ZINC001570568590 1170191730 /nfs/dbraw/zinc/19/17/30/1170191730.db2.gz AMQVXPLCHPECJZ-UHFFFAOYSA-N 1 2 266.264 1.490 20 30 CDEDLO C#C[C@@H]1CCCCN1c1[nH+]c(C)cc(C)c1-c1nn[nH]n1 ZINC001588332159 1173035593 /nfs/dbraw/zinc/03/55/93/1173035593.db2.gz GWZDMKYBSWLIBW-GFCCVEGCSA-N 1 2 282.351 1.871 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC001589788497 1173180846 /nfs/dbraw/zinc/18/08/46/1173180846.db2.gz ZRTNQHAYRHPPSV-NXEZZACHSA-N 1 2 299.338 1.085 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)Nc1c(C#N)cccc1-c1nn[nH]n1 ZINC001589903864 1173199534 /nfs/dbraw/zinc/19/95/34/1173199534.db2.gz KAUVTGQACXAZEI-SNVBAGLBSA-N 1 2 294.322 1.435 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)NCc2ccccc2OC)CC1 ZINC000242842112 1180500416 /nfs/dbraw/zinc/50/04/16/1180500416.db2.gz FWQHXLHNIHKNGG-UHFFFAOYSA-N 1 2 289.379 1.708 20 30 CDEDLO C=CCCC(=O)NC1C[NH+](C[C@H]2CC[C@H](C)O2)C1 ZINC001753372018 1184473290 /nfs/dbraw/zinc/47/32/90/1184473290.db2.gz CNRDVJXXJIAQGY-WCQYABFASA-N 1 2 252.358 1.321 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cnnn1C ZINC001752818255 1184922316 /nfs/dbraw/zinc/92/23/16/1184922316.db2.gz ZBHZGISWLNHXCR-ZDUSSCGKSA-N 1 2 291.399 1.252 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cnnn1C ZINC001752818255 1184922311 /nfs/dbraw/zinc/92/23/11/1184922311.db2.gz ZBHZGISWLNHXCR-ZDUSSCGKSA-N 1 2 291.399 1.252 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(CC)CC)CO2 ZINC001755065123 1185803762 /nfs/dbraw/zinc/80/37/62/1185803762.db2.gz DRSQBCGTMJOWQV-CQSZACIVSA-N 1 2 292.423 1.796 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC001771812937 1186885404 /nfs/dbraw/zinc/88/54/04/1186885404.db2.gz TXDLEICHLTUOQW-CYBMUJFWSA-N 1 2 280.331 1.808 20 30 CDEDLO C=CC[NH+]1CCN(c2cc(Cl)ncc2C#N)CC1 ZINC001165033380 721864063 /nfs/dbraw/zinc/86/40/63/721864063.db2.gz LNSQBNGQBFPTTC-UHFFFAOYSA-N 1 2 262.744 1.915 20 30 CDEDLO C=CC[NH+]1CCN(c2c(C)nc(Cl)nc2OC)CC1 ZINC001165031503 721866849 /nfs/dbraw/zinc/86/68/49/721866849.db2.gz MQEQBNYVEUOIFW-UHFFFAOYSA-N 1 2 282.775 1.755 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@](C)(C#N)CC ZINC000874708485 1165658777 /nfs/dbraw/zinc/65/87/77/1165658777.db2.gz NYZBPKSXYNHYNK-GXTWGEPZSA-N 1 2 267.373 1.153 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@](C)(C#N)CC ZINC000874708485 1165658779 /nfs/dbraw/zinc/65/87/79/1165658779.db2.gz NYZBPKSXYNHYNK-GXTWGEPZSA-N 1 2 267.373 1.153 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)noc1C1CC1 ZINC001038531133 813385647 /nfs/dbraw/zinc/38/56/47/813385647.db2.gz FUBYMQUIQVZELK-ZDUSSCGKSA-N 1 2 287.363 1.688 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)noc1C1CC1 ZINC001038531133 813385656 /nfs/dbraw/zinc/38/56/56/813385656.db2.gz FUBYMQUIQVZELK-ZDUSSCGKSA-N 1 2 287.363 1.688 20 30 CDEDLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCNc1ccc(C#N)cn1 ZINC000927162173 813821994 /nfs/dbraw/zinc/82/19/94/813821994.db2.gz CGRJLNSKMHSVOE-SNVBAGLBSA-N 1 2 270.340 1.748 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2noc3c2C[C@@H](C)CC3)C1 ZINC001031183758 805011128 /nfs/dbraw/zinc/01/11/28/805011128.db2.gz FEVZYUOEOBIRMK-NSHDSACASA-N 1 2 289.379 1.790 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)on1 ZINC001050804837 805023211 /nfs/dbraw/zinc/02/32/11/805023211.db2.gz YZLDFYWLLKEUGM-ZDUSSCGKSA-N 1 2 293.367 1.380 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)on1 ZINC001050804837 805023222 /nfs/dbraw/zinc/02/32/22/805023222.db2.gz YZLDFYWLLKEUGM-ZDUSSCGKSA-N 1 2 293.367 1.380 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2ccnc(OC)c2)C1 ZINC001043887165 805035865 /nfs/dbraw/zinc/03/58/65/805035865.db2.gz VXHPFTHZMUIIQU-UHFFFAOYSA-N 1 2 289.379 1.351 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccnc3ccncc32)C1 ZINC001030745841 805041094 /nfs/dbraw/zinc/04/10/94/805041094.db2.gz YBBVDZKUKVHFHV-UHFFFAOYSA-N 1 2 282.347 1.620 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000830162278 805046392 /nfs/dbraw/zinc/04/63/92/805046392.db2.gz HHBKIRRIYAKNIK-KBPBESRZSA-N 1 2 268.401 1.816 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2n1CCC2 ZINC001017628131 805051214 /nfs/dbraw/zinc/05/12/14/805051214.db2.gz GQFXJLMYMLVHRR-OKILXGFUSA-N 1 2 298.390 1.141 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2n1CCC2 ZINC001017628131 805051226 /nfs/dbraw/zinc/05/12/26/805051226.db2.gz GQFXJLMYMLVHRR-OKILXGFUSA-N 1 2 298.390 1.141 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001038400678 805057675 /nfs/dbraw/zinc/05/76/75/805057675.db2.gz MUDIDPDNUUWSLD-MELADBBJSA-N 1 2 274.389 1.675 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001038400678 805057686 /nfs/dbraw/zinc/05/76/86/805057686.db2.gz MUDIDPDNUUWSLD-MELADBBJSA-N 1 2 274.389 1.675 20 30 CDEDLO C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1NCC#N ZINC001054798579 805083614 /nfs/dbraw/zinc/08/36/14/805083614.db2.gz XECSDCRUHCVFSI-HZMBPMFUSA-N 1 2 283.335 1.137 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)nc1C ZINC001039040138 805168690 /nfs/dbraw/zinc/16/86/90/805168690.db2.gz OEESRAAOEZEVMO-AWEZNQCLSA-N 1 2 271.364 1.526 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)nc1C ZINC001039040138 805168699 /nfs/dbraw/zinc/16/86/99/805168699.db2.gz OEESRAAOEZEVMO-AWEZNQCLSA-N 1 2 271.364 1.526 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)C2)CCC1 ZINC000784347773 805187190 /nfs/dbraw/zinc/18/71/90/805187190.db2.gz VGGQAKBUKJYHBQ-VIFPVBQESA-N 1 2 275.274 1.433 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C2)CCC1 ZINC000784347773 805187210 /nfs/dbraw/zinc/18/72/10/805187210.db2.gz VGGQAKBUKJYHBQ-VIFPVBQESA-N 1 2 275.274 1.433 20 30 CDEDLO C#C[C@@H](NC(=O)NCc1c[nH+]c(C)cc1C)[C@@H]1CCCO1 ZINC000836408913 805300533 /nfs/dbraw/zinc/30/05/33/805300533.db2.gz OTAGKOAITFQRJO-CABCVRRESA-N 1 2 287.363 1.678 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](Cc2cccc(S(N)(=O)=O)c2)C1 ZINC000877622966 805324155 /nfs/dbraw/zinc/32/41/55/805324155.db2.gz WALOIZINSAOYJT-GFCCVEGCSA-N 1 2 293.392 1.460 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](Cc2cccc(S(N)(=O)=O)c2)C1 ZINC000877622966 805324165 /nfs/dbraw/zinc/32/41/65/805324165.db2.gz WALOIZINSAOYJT-GFCCVEGCSA-N 1 2 293.392 1.460 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C)nn2)C1 ZINC001033083682 811103004 /nfs/dbraw/zinc/10/30/04/811103004.db2.gz WUKCFGFNOIRRGE-LBPRGKRZSA-N 1 2 294.786 1.684 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)nn2)C1 ZINC001033083682 811103048 /nfs/dbraw/zinc/10/30/48/811103048.db2.gz WUKCFGFNOIRRGE-LBPRGKRZSA-N 1 2 294.786 1.684 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2occc2Cl)C1 ZINC001008417423 811152825 /nfs/dbraw/zinc/15/28/25/811152825.db2.gz KKKMXLPAJZXOGD-JTQLQIEISA-N 1 2 266.728 1.760 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2occc2Cl)C1 ZINC001008417423 811152865 /nfs/dbraw/zinc/15/28/65/811152865.db2.gz KKKMXLPAJZXOGD-JTQLQIEISA-N 1 2 266.728 1.760 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC000879218266 811169581 /nfs/dbraw/zinc/16/95/81/811169581.db2.gz KHUAYDHVVQRCFB-RYUDHWBXSA-N 1 2 250.342 1.703 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC000879218266 811169605 /nfs/dbraw/zinc/16/96/05/811169605.db2.gz KHUAYDHVVQRCFB-RYUDHWBXSA-N 1 2 250.342 1.703 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn(C(F)F)n1 ZINC001038304161 811303117 /nfs/dbraw/zinc/30/31/17/811303117.db2.gz RJGHUJZJONGOBD-JTQLQIEISA-N 1 2 282.294 1.106 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccn(C(F)F)n1 ZINC001038304161 811303121 /nfs/dbraw/zinc/30/31/21/811303121.db2.gz RJGHUJZJONGOBD-JTQLQIEISA-N 1 2 282.294 1.106 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ncccn1 ZINC001024723377 811346399 /nfs/dbraw/zinc/34/63/99/811346399.db2.gz OEYDHXIVRGQYFO-LBPRGKRZSA-N 1 2 294.786 1.813 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ncccn1 ZINC001024723377 811346411 /nfs/dbraw/zinc/34/64/11/811346411.db2.gz OEYDHXIVRGQYFO-LBPRGKRZSA-N 1 2 294.786 1.813 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C2(F)CCCCC2)C1 ZINC001031198381 811359778 /nfs/dbraw/zinc/35/97/78/811359778.db2.gz GMWSBWJKJGZPNP-UHFFFAOYSA-N 1 2 252.333 1.483 20 30 CDEDLO CNC(=O)c1ccc(C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000932149126 811396083 /nfs/dbraw/zinc/39/60/83/811396083.db2.gz WJSXAGNZNOYLTC-CYBMUJFWSA-N 1 2 257.337 1.782 20 30 CDEDLO CNC(=O)c1ccc(C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC000932149126 811396087 /nfs/dbraw/zinc/39/60/87/811396087.db2.gz WJSXAGNZNOYLTC-CYBMUJFWSA-N 1 2 257.337 1.782 20 30 CDEDLO C#CCC[C@H](O)CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000798419683 811403637 /nfs/dbraw/zinc/40/36/37/811403637.db2.gz QDCCBVGWMVBXRU-LBPRGKRZSA-N 1 2 292.408 1.216 20 30 CDEDLO C#CCC[C@H](O)CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000798419683 811403648 /nfs/dbraw/zinc/40/36/48/811403648.db2.gz QDCCBVGWMVBXRU-LBPRGKRZSA-N 1 2 292.408 1.216 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cscc2C)C1 ZINC001035326338 811547004 /nfs/dbraw/zinc/54/70/04/811547004.db2.gz OKFQEPRTUNYALQ-GFCCVEGCSA-N 1 2 280.393 1.673 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cscc2C)C1 ZINC001035326338 811547034 /nfs/dbraw/zinc/54/70/34/811547034.db2.gz OKFQEPRTUNYALQ-GFCCVEGCSA-N 1 2 280.393 1.673 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)C1CCC1)CCO2 ZINC001053305381 811645482 /nfs/dbraw/zinc/64/54/82/811645482.db2.gz ZTZSYGNHOYELRN-AWEZNQCLSA-N 1 2 292.423 1.912 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(C)coc2C)C1 ZINC001042680270 811661557 /nfs/dbraw/zinc/66/15/57/811661557.db2.gz OURZHRCMZLRKDZ-UHFFFAOYSA-N 1 2 260.337 1.676 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn(C(F)F)c2)C1 ZINC001044094718 811703343 /nfs/dbraw/zinc/70/33/43/811703343.db2.gz UKTZIKGSWOIVNX-UHFFFAOYSA-N 1 2 282.294 1.058 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(C)C)no1 ZINC001032664764 811713651 /nfs/dbraw/zinc/71/36/51/811713651.db2.gz QUZCINMPCMUJPI-RYUDHWBXSA-N 1 2 275.352 1.883 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(C)C)no1 ZINC001032664764 811713680 /nfs/dbraw/zinc/71/36/80/811713680.db2.gz QUZCINMPCMUJPI-RYUDHWBXSA-N 1 2 275.352 1.883 20 30 CDEDLO CC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1NCC#N ZINC001037841886 811745930 /nfs/dbraw/zinc/74/59/30/811745930.db2.gz QVSJSKBNTPRRHL-CHWSQXEVSA-N 1 2 289.383 1.083 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](C/C=C\Cl)CC2)nc1 ZINC000255031434 811757248 /nfs/dbraw/zinc/75/72/48/811757248.db2.gz ZIHYYTQKGYYZIS-RJRFIUFISA-N 1 2 262.744 1.828 20 30 CDEDLO C#CC[NH+]1CCN(CN2C[C@@H](c3ccccc3)OC2=O)CC1 ZINC000863254466 811820732 /nfs/dbraw/zinc/82/07/32/811820732.db2.gz HUHFLHASUSGJIV-INIZCTEOSA-N 1 2 299.374 1.388 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2COC[C@@H]2c2ccccc2)C1 ZINC001030557305 811831768 /nfs/dbraw/zinc/83/17/68/811831768.db2.gz BQGBOJFHBNTLHO-SJORKVTESA-N 1 2 298.386 1.240 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cn3c(cccc3C)n2)C1 ZINC001044278694 811875953 /nfs/dbraw/zinc/87/59/53/811875953.db2.gz VPGQYIMIEVLZKR-UHFFFAOYSA-N 1 2 298.390 1.975 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccccc2C)C1 ZINC001031369180 811891064 /nfs/dbraw/zinc/89/10/64/811891064.db2.gz YKLDNTMJMJJCFI-UHFFFAOYSA-N 1 2 256.349 1.361 20 30 CDEDLO NC(CCO)=[NH+]OCc1coc(-c2c(F)cccc2F)n1 ZINC000121382183 811970159 /nfs/dbraw/zinc/97/01/59/811970159.db2.gz MHZWBBPGNOQIHJ-UHFFFAOYSA-N 1 2 297.261 1.791 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[C@@H]2OC)C1 ZINC001044356432 812028649 /nfs/dbraw/zinc/02/86/49/812028649.db2.gz RTKWWPWZAABYRS-KBPBESRZSA-N 1 2 266.385 1.520 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C)c1C ZINC001032612894 812040664 /nfs/dbraw/zinc/04/06/64/812040664.db2.gz AKXYTQCOIZGKCN-KBPBESRZSA-N 1 2 271.364 1.256 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C)c1C ZINC001032612894 812040669 /nfs/dbraw/zinc/04/06/69/812040669.db2.gz AKXYTQCOIZGKCN-KBPBESRZSA-N 1 2 271.364 1.256 20 30 CDEDLO Cn1c[nH+]cc1CCOC(=O)Cc1ccccc1CC#N ZINC000793239832 812070459 /nfs/dbraw/zinc/07/04/59/812070459.db2.gz VGIMZDHAAUREGF-UHFFFAOYSA-N 1 2 283.331 1.815 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2scnc2CC)C1 ZINC001014644074 812089949 /nfs/dbraw/zinc/08/99/49/812089949.db2.gz BFNUSRCKGWJIAO-LLVKDONJSA-N 1 2 277.393 1.533 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2scnc2CC)C1 ZINC001014644074 812089964 /nfs/dbraw/zinc/08/99/64/812089964.db2.gz BFNUSRCKGWJIAO-LLVKDONJSA-N 1 2 277.393 1.533 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccn(CC)c2C)C1 ZINC001043600244 812169138 /nfs/dbraw/zinc/16/91/38/812169138.db2.gz XFNHMTFIQZMWNI-UHFFFAOYSA-N 1 2 261.369 1.759 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ncccc2CC)C1 ZINC001030581797 812176775 /nfs/dbraw/zinc/17/67/75/812176775.db2.gz YBKNREQJSGHNJD-UHFFFAOYSA-N 1 2 257.337 1.081 20 30 CDEDLO C#CC[C@H]1CCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000884592999 812361083 /nfs/dbraw/zinc/36/10/83/812361083.db2.gz ACXJNTDWSSNOCD-ZDUSSCGKSA-N 1 2 272.352 1.163 20 30 CDEDLO C#CC[C@H]1CCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000884592999 812361093 /nfs/dbraw/zinc/36/10/93/812361093.db2.gz ACXJNTDWSSNOCD-ZDUSSCGKSA-N 1 2 272.352 1.163 20 30 CDEDLO C[C@H]1C[C@H](C)CN(C(=O)CO[NH+]=C(N)c2ccccc2)C1 ZINC000072807243 812373395 /nfs/dbraw/zinc/37/33/95/812373395.db2.gz MZZPJBVLRYWTOK-STQMWFEESA-N 1 2 289.379 1.828 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2c(C)[nH]c3ccccc32)C1 ZINC001030882395 812416569 /nfs/dbraw/zinc/41/65/69/812416569.db2.gz YARSTQUXGWYSFT-UHFFFAOYSA-N 1 2 295.386 1.843 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C2CC2)C1 ZINC001032854598 812440429 /nfs/dbraw/zinc/44/04/29/812440429.db2.gz UWHWSBVQYBJIKL-LLVKDONJSA-N 1 2 287.201 1.838 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CC2)C1 ZINC001032854598 812440435 /nfs/dbraw/zinc/44/04/35/812440435.db2.gz UWHWSBVQYBJIKL-LLVKDONJSA-N 1 2 287.201 1.838 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cccc(CC)c1 ZINC000884047833 812496120 /nfs/dbraw/zinc/49/61/20/812496120.db2.gz MVPSBBINNHACIB-ZDUSSCGKSA-N 1 2 276.336 1.634 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2ccc(C)cn12 ZINC001038510115 812501321 /nfs/dbraw/zinc/50/13/21/812501321.db2.gz IVOINBLGFJTZCT-CQSZACIVSA-N 1 2 296.374 1.470 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2ccc(C)cn12 ZINC001038510115 812501371 /nfs/dbraw/zinc/50/13/71/812501371.db2.gz IVOINBLGFJTZCT-CQSZACIVSA-N 1 2 296.374 1.470 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](Cc3ccccc3)C2)cn1 ZINC001031277906 812532550 /nfs/dbraw/zinc/53/25/50/812532550.db2.gz SPMKWUOINVPKIU-UHFFFAOYSA-N 1 2 291.354 1.677 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCNc1ccc(C#N)cn1 ZINC000847330919 812561998 /nfs/dbraw/zinc/56/19/98/812561998.db2.gz BIQLTEXTTZJDOS-LLVKDONJSA-N 1 2 298.350 1.083 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCNc1ccc(C#N)cn1 ZINC000847330919 812562015 /nfs/dbraw/zinc/56/20/15/812562015.db2.gz BIQLTEXTTZJDOS-LLVKDONJSA-N 1 2 298.350 1.083 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCO[C@H](CC)C2)C1 ZINC001031216238 812812979 /nfs/dbraw/zinc/81/29/79/812812979.db2.gz OYNZXBQDVAZFGS-GXTWGEPZSA-N 1 2 264.369 1.015 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@H](C)[C@H](O)c2ccc(C)cc2)nn1 ZINC000849149817 812815772 /nfs/dbraw/zinc/81/57/72/812815772.db2.gz BFLQQVLJAJJTPB-PBHICJAKSA-N 1 2 298.390 1.994 20 30 CDEDLO C#CCCCC(=O)O[C@H](COC)C[N@@H+]1CCO[C@H](C)C1 ZINC000842963106 812819917 /nfs/dbraw/zinc/81/99/17/812819917.db2.gz ISOJBFTUOALDOY-KGLIPLIRSA-N 1 2 283.368 1.069 20 30 CDEDLO C#CCCCC(=O)O[C@H](COC)C[N@H+]1CCO[C@H](C)C1 ZINC000842963106 812819918 /nfs/dbraw/zinc/81/99/18/812819918.db2.gz ISOJBFTUOALDOY-KGLIPLIRSA-N 1 2 283.368 1.069 20 30 CDEDLO Cn1c(CC#N)nn(C[N@H+](C)C[C@@H]2CCCOC2)c1=S ZINC000794625928 812856320 /nfs/dbraw/zinc/85/63/20/812856320.db2.gz LTHJFJNRYKQKGH-NSHDSACASA-N 1 2 295.412 1.333 20 30 CDEDLO Cn1c(CC#N)nn(C[N@@H+](C)C[C@@H]2CCCOC2)c1=S ZINC000794625928 812856323 /nfs/dbraw/zinc/85/63/23/812856323.db2.gz LTHJFJNRYKQKGH-NSHDSACASA-N 1 2 295.412 1.333 20 30 CDEDLO CC(C)c1noc(CO[NH+]=C(N)Cc2cccnc2)n1 ZINC000179921740 812874617 /nfs/dbraw/zinc/87/46/17/812874617.db2.gz MELPJMIOXVJXFD-UHFFFAOYSA-N 1 2 275.312 1.620 20 30 CDEDLO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1snnc1CC ZINC001032504643 812879836 /nfs/dbraw/zinc/87/98/36/812879836.db2.gz KAEFFVIDFWQRMX-QWRGUYRKSA-N 1 2 290.392 1.023 20 30 CDEDLO C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1snnc1CC ZINC001032504643 812879840 /nfs/dbraw/zinc/87/98/40/812879840.db2.gz KAEFFVIDFWQRMX-QWRGUYRKSA-N 1 2 290.392 1.023 20 30 CDEDLO COc1cccc([C@H]2CN(C(=O)[C@H](C)C#N)CC[NH2+]2)c1 ZINC000870149299 812895209 /nfs/dbraw/zinc/89/52/09/812895209.db2.gz HTSUZXGEJJMGJD-BXUZGUMPSA-N 1 2 273.336 1.328 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncnc1C(C)C ZINC001032787013 812904715 /nfs/dbraw/zinc/90/47/15/812904715.db2.gz CECSQCOPQBMTLU-STQMWFEESA-N 1 2 284.363 1.132 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cncnc1C(C)C ZINC001032787013 812904723 /nfs/dbraw/zinc/90/47/23/812904723.db2.gz CECSQCOPQBMTLU-STQMWFEESA-N 1 2 284.363 1.132 20 30 CDEDLO C=CCNC(=O)[C@H](C)OC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848780582 813020028 /nfs/dbraw/zinc/02/00/28/813020028.db2.gz LSNIOEHRRTXYDD-NSHDSACASA-N 1 2 287.319 1.490 20 30 CDEDLO COC(=O)C1([NH2+]C[C@@H](O)CC2(C#N)CCC2)CCCCC1 ZINC000886015064 813026964 /nfs/dbraw/zinc/02/69/64/813026964.db2.gz VDRHOGIKYZNDSP-ZDUSSCGKSA-N 1 2 294.395 1.897 20 30 CDEDLO CCOc1cccc(/C=N/[C@H](C)C[NH+]2CCOCC2)c1O ZINC000193334559 813053502 /nfs/dbraw/zinc/05/35/02/813053502.db2.gz QLVQDNYEQVMUDO-VVBXCHJUSA-N 1 2 292.379 1.931 20 30 CDEDLO CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001050879811 813170491 /nfs/dbraw/zinc/17/04/91/813170491.db2.gz HWCIBAQQTOEZLT-AWEZNQCLSA-N 1 2 290.367 1.117 20 30 CDEDLO CCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001050879811 813170504 /nfs/dbraw/zinc/17/05/04/813170504.db2.gz HWCIBAQQTOEZLT-AWEZNQCLSA-N 1 2 290.367 1.117 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C2(CC(C)=O)CCC2)C1 ZINC000923560882 813170770 /nfs/dbraw/zinc/17/07/70/813170770.db2.gz LTZKQNRKXMXMCX-CQSZACIVSA-N 1 2 276.380 1.350 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C2(CC(C)=O)CCC2)C1 ZINC000923560882 813170791 /nfs/dbraw/zinc/17/07/91/813170791.db2.gz LTZKQNRKXMXMCX-CQSZACIVSA-N 1 2 276.380 1.350 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[C@H]3C[C@H]3C1)CO2 ZINC001053901839 813187667 /nfs/dbraw/zinc/18/76/67/813187667.db2.gz PGSBVHYRFCWTDR-YJNKXOJESA-N 1 2 290.407 1.568 20 30 CDEDLO C#CCCCS(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000804986836 813206479 /nfs/dbraw/zinc/20/64/79/813206479.db2.gz RTUVZOHXHNDSTG-CYBMUJFWSA-N 1 2 281.381 1.263 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2noc3c2CCCCC3)C1 ZINC001031034858 813289859 /nfs/dbraw/zinc/28/98/59/813289859.db2.gz NHFOFRIJBVGOTB-UHFFFAOYSA-N 1 2 289.379 1.934 20 30 CDEDLO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1C[C@H](O)CC#N ZINC000930255943 813328239 /nfs/dbraw/zinc/32/82/39/813328239.db2.gz MAJFMYXMUHXUFZ-CHWSQXEVSA-N 1 2 277.343 1.611 20 30 CDEDLO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1C[C@H](O)CC#N ZINC000930255943 813328248 /nfs/dbraw/zinc/32/82/48/813328248.db2.gz MAJFMYXMUHXUFZ-CHWSQXEVSA-N 1 2 277.343 1.611 20 30 CDEDLO C#CCCS(=O)(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000808299847 813335688 /nfs/dbraw/zinc/33/56/88/813335688.db2.gz RKDATQDAKMDKTH-UHFFFAOYSA-N 1 2 291.376 1.128 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1cc(C)oc1C ZINC001032685378 813342159 /nfs/dbraw/zinc/34/21/59/813342159.db2.gz ZEMZHKGRGQLARH-QEJZJMRPSA-N 1 2 286.375 1.918 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1cc(C)oc1C ZINC001032685378 813342171 /nfs/dbraw/zinc/34/21/71/813342171.db2.gz ZEMZHKGRGQLARH-QEJZJMRPSA-N 1 2 286.375 1.918 20 30 CDEDLO CC(=[NH+]Nc1cnnn1C)c1ccc(N(C)C)cc1 ZINC000814982504 813506428 /nfs/dbraw/zinc/50/64/28/813506428.db2.gz CHEPBGPGJQRDHN-UHFFFAOYSA-N 1 2 258.329 1.717 20 30 CDEDLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(F)cc1C#N ZINC000844400769 813578577 /nfs/dbraw/zinc/57/85/77/813578577.db2.gz BVHRXSNUAIAELZ-ZIAGYGMSSA-N 1 2 264.300 1.279 20 30 CDEDLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(F)cc1C#N ZINC000844400769 813578601 /nfs/dbraw/zinc/57/86/01/813578601.db2.gz BVHRXSNUAIAELZ-ZIAGYGMSSA-N 1 2 264.300 1.279 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H](C)C(C)(C)C ZINC000884087633 813600330 /nfs/dbraw/zinc/60/03/30/813600330.db2.gz JPMLBXOCNSXHIO-QWRGUYRKSA-N 1 2 270.373 1.326 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncc(C)cc1C ZINC001017756851 813800694 /nfs/dbraw/zinc/80/06/94/813800694.db2.gz OXCKTYVSVOYMQK-GASCZTMLSA-N 1 2 283.375 1.620 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncc(C)cc1C ZINC001017756851 813800695 /nfs/dbraw/zinc/80/06/95/813800695.db2.gz OXCKTYVSVOYMQK-GASCZTMLSA-N 1 2 283.375 1.620 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)c2cccnc12 ZINC001038527388 813820793 /nfs/dbraw/zinc/82/07/93/813820793.db2.gz KECWTUWAOOCKJR-AWEZNQCLSA-N 1 2 293.370 1.981 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)c2cccnc12 ZINC001038527388 813820794 /nfs/dbraw/zinc/82/07/94/813820794.db2.gz KECWTUWAOOCKJR-AWEZNQCLSA-N 1 2 293.370 1.981 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2nc(C)c(C)s2)CC1 ZINC000989693121 813891766 /nfs/dbraw/zinc/89/17/66/813891766.db2.gz QOFKLASANUKZLF-UHFFFAOYSA-N 1 2 291.420 1.931 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2nc(C)c(C)s2)CC1 ZINC000989693121 813891767 /nfs/dbraw/zinc/89/17/67/813891767.db2.gz QOFKLASANUKZLF-UHFFFAOYSA-N 1 2 291.420 1.931 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2nccc2C)C1 ZINC001008737048 813984906 /nfs/dbraw/zinc/98/49/06/813984906.db2.gz KHMSBUFPLIMPIT-CYBMUJFWSA-N 1 2 296.802 1.525 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2nccc2C)C1 ZINC001008737048 813984911 /nfs/dbraw/zinc/98/49/11/813984911.db2.gz KHMSBUFPLIMPIT-CYBMUJFWSA-N 1 2 296.802 1.525 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC001014365311 813998904 /nfs/dbraw/zinc/99/89/04/813998904.db2.gz ORYHQMFIQKBLMB-IUCAKERBSA-N 1 2 264.703 1.585 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC001014365311 813998916 /nfs/dbraw/zinc/99/89/16/813998916.db2.gz ORYHQMFIQKBLMB-IUCAKERBSA-N 1 2 264.703 1.585 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](CC[C@H](C)F)C2)cn1 ZINC001031278420 814021969 /nfs/dbraw/zinc/02/19/69/814021969.db2.gz LRWMTWZFMWZKRN-NSHDSACASA-N 1 2 275.327 1.225 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2scnc2CC)CC[C@H]1C ZINC001071552079 814042329 /nfs/dbraw/zinc/04/23/29/814042329.db2.gz IVJKVVWROBUDDI-NEPJUHHUSA-N 1 2 291.420 1.921 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2scnc2CC)CC[C@H]1C ZINC001071552079 814042339 /nfs/dbraw/zinc/04/23/39/814042339.db2.gz IVJKVVWROBUDDI-NEPJUHHUSA-N 1 2 291.420 1.921 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2scnc2Cl)C1 ZINC001016267655 814066475 /nfs/dbraw/zinc/06/64/75/814066475.db2.gz YNMNLZUSLOTIHS-SECBINFHSA-N 1 2 283.784 1.624 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2scnc2Cl)C1 ZINC001016267655 814066480 /nfs/dbraw/zinc/06/64/80/814066480.db2.gz YNMNLZUSLOTIHS-SECBINFHSA-N 1 2 283.784 1.624 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2nccc2C)C1 ZINC001008737049 814080669 /nfs/dbraw/zinc/08/06/69/814080669.db2.gz KHMSBUFPLIMPIT-ZDUSSCGKSA-N 1 2 296.802 1.525 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2nccc2C)C1 ZINC001008737049 814080672 /nfs/dbraw/zinc/08/06/72/814080672.db2.gz KHMSBUFPLIMPIT-ZDUSSCGKSA-N 1 2 296.802 1.525 20 30 CDEDLO C#CCN1CCC[C@@H](Nc2nc(N)[nH+]c3c2CCCC3)C1 ZINC000884610634 814093333 /nfs/dbraw/zinc/09/33/33/814093333.db2.gz REJANUGTYZCVKM-GFCCVEGCSA-N 1 2 285.395 1.447 20 30 CDEDLO C=CCC1(O)CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000887343393 814109283 /nfs/dbraw/zinc/10/92/83/814109283.db2.gz LPKKFPVWBOCJIR-UHFFFAOYSA-N 1 2 292.383 1.386 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC001030404143 814148501 /nfs/dbraw/zinc/14/85/01/814148501.db2.gz PFXXJSOIBQKHQN-UHFFFAOYSA-N 1 2 286.350 1.681 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC001038504382 814170855 /nfs/dbraw/zinc/17/08/55/814170855.db2.gz ZSWPKXQSAJFZQA-AWEZNQCLSA-N 1 2 298.386 1.794 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC001038504382 814170863 /nfs/dbraw/zinc/17/08/63/814170863.db2.gz ZSWPKXQSAJFZQA-AWEZNQCLSA-N 1 2 298.386 1.794 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@H]1C[C@@H]1C)CCO2 ZINC001053411573 814235688 /nfs/dbraw/zinc/23/56/88/814235688.db2.gz LASWKDCNLUTNNS-UONOGXRCSA-N 1 2 278.396 1.522 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3=CCCC3)C[C@@H]21 ZINC001074215634 814248012 /nfs/dbraw/zinc/24/80/12/814248012.db2.gz LEVMADZMEVEUHN-JKSUJKDBSA-N 1 2 288.391 1.422 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3=CCCC3)C[C@@H]21 ZINC001074215634 814248019 /nfs/dbraw/zinc/24/80/19/814248019.db2.gz LEVMADZMEVEUHN-JKSUJKDBSA-N 1 2 288.391 1.422 20 30 CDEDLO CCC[C@@H]1C[N@H+](CCO[C@@H](C)C#N)CCN1CCOC ZINC000801941277 814275671 /nfs/dbraw/zinc/27/56/71/814275671.db2.gz XZCGXJVKMPDBKI-LSDHHAIUSA-N 1 2 283.416 1.348 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2c[nH]nc2C)C1 ZINC001046526267 814310332 /nfs/dbraw/zinc/31/03/32/814310332.db2.gz QSTKEPKNFJIBGA-ZDUSSCGKSA-N 1 2 282.775 1.665 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2c[nH]nc2C)C1 ZINC001046526267 814310346 /nfs/dbraw/zinc/31/03/46/814310346.db2.gz QSTKEPKNFJIBGA-ZDUSSCGKSA-N 1 2 282.775 1.665 20 30 CDEDLO C#CCCN(CC(F)(F)F)C(=O)CCc1c[nH+]cn1C ZINC000793828434 814329098 /nfs/dbraw/zinc/32/90/98/814329098.db2.gz AGFIRXDMAYJFTR-UHFFFAOYSA-N 1 2 287.285 1.767 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(C)on2)C1 ZINC001032890676 814355185 /nfs/dbraw/zinc/35/51/85/814355185.db2.gz KLWOFBJLFKKNGM-NSHDSACASA-N 1 2 283.759 1.882 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)on2)C1 ZINC001032890676 814355193 /nfs/dbraw/zinc/35/51/93/814355193.db2.gz KLWOFBJLFKKNGM-NSHDSACASA-N 1 2 283.759 1.882 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)O[C@@H]2CCC(C)(C)C2=O)CC1 ZINC000840229636 814519179 /nfs/dbraw/zinc/51/91/79/814519179.db2.gz OWBLIUQSZGMQAR-CYBMUJFWSA-N 1 2 277.364 1.633 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(CCC)[nH]n3)[C@@H]2C1 ZINC001076114954 814594083 /nfs/dbraw/zinc/59/40/83/814594083.db2.gz QPYZAQRVWGSKLM-SWLSCSKDSA-N 1 2 286.379 1.142 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(CCC)[nH]n3)[C@@H]2C1 ZINC001076114954 814594084 /nfs/dbraw/zinc/59/40/84/814594084.db2.gz QPYZAQRVWGSKLM-SWLSCSKDSA-N 1 2 286.379 1.142 20 30 CDEDLO C=CCCCCCN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000785757596 814703232 /nfs/dbraw/zinc/70/32/32/814703232.db2.gz XBDNUAJEPPVLMU-GOSISDBHSA-N 1 2 272.458 1.729 20 30 CDEDLO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc(C)c(C)s2)C1 ZINC001047634188 814708541 /nfs/dbraw/zinc/70/85/41/814708541.db2.gz YRJHOPLSMCILLL-RYUDHWBXSA-N 1 2 295.408 1.063 20 30 CDEDLO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc(C)c(C)s2)C1 ZINC001047634188 814708551 /nfs/dbraw/zinc/70/85/51/814708551.db2.gz YRJHOPLSMCILLL-RYUDHWBXSA-N 1 2 295.408 1.063 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cn(CC)nn1 ZINC001028230321 814716236 /nfs/dbraw/zinc/71/62/36/814716236.db2.gz XYXADCVNWGJADQ-NSHDSACASA-N 1 2 297.790 1.245 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cn(CC)nn1 ZINC001028230321 814716242 /nfs/dbraw/zinc/71/62/42/814716242.db2.gz XYXADCVNWGJADQ-NSHDSACASA-N 1 2 297.790 1.245 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+][C@H]1COc2ccccc2[C@H]1O ZINC000843118327 816784951 /nfs/dbraw/zinc/78/49/51/816784951.db2.gz YAICTXLXQJHGBV-OSAQELSMSA-N 1 2 271.320 1.514 20 30 CDEDLO CCN(C[C@@H](C)C#N)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783974163 816849270 /nfs/dbraw/zinc/84/92/70/816849270.db2.gz HYMFAUDDFQCHDF-QWHCGFSZSA-N 1 2 289.383 1.175 20 30 CDEDLO COc1cc(F)ccc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000819404907 816856471 /nfs/dbraw/zinc/85/64/71/816856471.db2.gz OTKCJYAUQRLCLV-LBPRGKRZSA-N 1 2 281.331 1.453 20 30 CDEDLO COc1cc(F)ccc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000819404907 816856474 /nfs/dbraw/zinc/85/64/74/816856474.db2.gz OTKCJYAUQRLCLV-LBPRGKRZSA-N 1 2 281.331 1.453 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2CCC)C1 ZINC001015049555 816865188 /nfs/dbraw/zinc/86/51/88/816865188.db2.gz MEFSYYYOVWHBOR-LLVKDONJSA-N 1 2 296.802 1.919 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2CCC)C1 ZINC001015049555 816865192 /nfs/dbraw/zinc/86/51/92/816865192.db2.gz MEFSYYYOVWHBOR-LLVKDONJSA-N 1 2 296.802 1.919 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2cn(C)c3ccccc23)C1 ZINC001030876842 816872939 /nfs/dbraw/zinc/87/29/39/816872939.db2.gz BJLMEMGFTHLMOV-UHFFFAOYSA-N 1 2 283.375 1.707 20 30 CDEDLO C[C@H](C#N)OCCN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000801923035 816874746 /nfs/dbraw/zinc/87/47/46/816874746.db2.gz XAOXEMQKYSIRLU-CABCVRRESA-N 1 2 288.395 1.689 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn3ccc(C)nc23)C1 ZINC001044196934 816903312 /nfs/dbraw/zinc/90/33/12/816903312.db2.gz HOPPXSMFSLTVPC-UHFFFAOYSA-N 1 2 299.378 1.370 20 30 CDEDLO CC(C)N(CCC#N)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783972000 816909618 /nfs/dbraw/zinc/90/96/18/816909618.db2.gz AHKWQAUCSLFCEK-ZDUSSCGKSA-N 1 2 289.383 1.318 20 30 CDEDLO C#CCC1([NH2+]Cc2noc(C3CC3)n2)CCOCC1 ZINC000887124779 816916195 /nfs/dbraw/zinc/91/61/95/816916195.db2.gz SWSHWYXUNFZNSV-UHFFFAOYSA-N 1 2 261.325 1.609 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COc2ccccc21 ZINC001032815848 816929289 /nfs/dbraw/zinc/92/92/89/816929289.db2.gz RACUDNFGCKGSQE-YDHLFZDLSA-N 1 2 282.343 1.081 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COc2ccccc21 ZINC001032815848 816929299 /nfs/dbraw/zinc/92/92/99/816929299.db2.gz RACUDNFGCKGSQE-YDHLFZDLSA-N 1 2 282.343 1.081 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(CC)nn2C)C1 ZINC001015895785 816986611 /nfs/dbraw/zinc/98/66/11/816986611.db2.gz BRMUAQHBFFFOHE-GFCCVEGCSA-N 1 2 296.802 1.539 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(CC)nn2C)C1 ZINC001015895785 816986615 /nfs/dbraw/zinc/98/66/15/816986615.db2.gz BRMUAQHBFFFOHE-GFCCVEGCSA-N 1 2 296.802 1.539 20 30 CDEDLO N#Cc1ccc(C(=O)NC2C[NH+](CC3=CCCCC3)C2)[nH]1 ZINC001030222463 817056765 /nfs/dbraw/zinc/05/67/65/817056765.db2.gz FHGCGZWCJJLHKP-UHFFFAOYSA-N 1 2 284.363 1.801 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852431353 817090017 /nfs/dbraw/zinc/09/00/17/817090017.db2.gz BASLLILYLSOBJQ-AWEZNQCLSA-N 1 2 289.310 1.724 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852431353 817090025 /nfs/dbraw/zinc/09/00/25/817090025.db2.gz BASLLILYLSOBJQ-AWEZNQCLSA-N 1 2 289.310 1.724 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(C)n(C)n2)C1 ZINC001032934834 817151763 /nfs/dbraw/zinc/15/17/63/817151763.db2.gz IMUDGUWILZOREI-LBPRGKRZSA-N 1 2 296.802 1.627 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)n(C)n2)C1 ZINC001032934834 817151773 /nfs/dbraw/zinc/15/17/73/817151773.db2.gz IMUDGUWILZOREI-LBPRGKRZSA-N 1 2 296.802 1.627 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCOC2)C1 ZINC001033768207 817160032 /nfs/dbraw/zinc/16/00/32/817160032.db2.gz XQUIJFHQVAZLGZ-STQMWFEESA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCOC2)C1 ZINC001033768207 817160045 /nfs/dbraw/zinc/16/00/45/817160045.db2.gz XQUIJFHQVAZLGZ-STQMWFEESA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccnc(F)c2)C1 ZINC001042523859 817174416 /nfs/dbraw/zinc/17/44/16/817174416.db2.gz HKLYLZZUWZDTEH-UHFFFAOYSA-N 1 2 263.316 1.553 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnc3cnccc3c2)C1 ZINC001043339396 817185383 /nfs/dbraw/zinc/18/53/83/817185383.db2.gz QJYLVJVCZNQVEE-UHFFFAOYSA-N 1 2 296.374 1.962 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(OC)nc2)C1 ZINC001043277075 817234734 /nfs/dbraw/zinc/23/47/34/817234734.db2.gz WVRXGIAOAANXMF-UHFFFAOYSA-N 1 2 275.352 1.423 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000884622981 817240430 /nfs/dbraw/zinc/24/04/30/817240430.db2.gz IVJARFHXCPRHSN-CLLJXQQHSA-N 1 2 276.336 1.170 20 30 CDEDLO COc1ccc(C(N)=[NH+]O[C@@H](C(=O)N(C)C)C(C)C)cc1 ZINC000820706755 817265803 /nfs/dbraw/zinc/26/58/03/817265803.db2.gz UOHTYMQONXKHCI-CYBMUJFWSA-N 1 2 293.367 1.445 20 30 CDEDLO N#C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CCCC1 ZINC000921550400 817288665 /nfs/dbraw/zinc/28/86/65/817288665.db2.gz JVCIWRKTYSZLQS-TZMCWYRMSA-N 1 2 272.352 1.644 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H](F)C1 ZINC001017856134 817319660 /nfs/dbraw/zinc/31/96/60/817319660.db2.gz OIMQAPQTTGVKHJ-SYQHCUMBSA-N 1 2 264.344 1.433 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H](F)C1 ZINC001017856134 817319669 /nfs/dbraw/zinc/31/96/69/817319669.db2.gz OIMQAPQTTGVKHJ-SYQHCUMBSA-N 1 2 264.344 1.433 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H](F)C1 ZINC001017547477 817327231 /nfs/dbraw/zinc/32/72/31/817327231.db2.gz DUNYZVQUWQNBCQ-TUVASFSCSA-N 1 2 278.371 1.823 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H](F)C1 ZINC001017547477 817327238 /nfs/dbraw/zinc/32/72/38/817327238.db2.gz DUNYZVQUWQNBCQ-TUVASFSCSA-N 1 2 278.371 1.823 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3oc(=O)[nH]c3c2)C1 ZINC001042992689 817352990 /nfs/dbraw/zinc/35/29/90/817352990.db2.gz QTMPWHANYLYUAR-UHFFFAOYSA-N 1 2 299.330 1.313 20 30 CDEDLO C=CCC(F)(F)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000816202733 817388196 /nfs/dbraw/zinc/38/81/96/817388196.db2.gz FPKFREYHWNURGH-VIFPVBQESA-N 1 2 255.268 1.526 20 30 CDEDLO Cc1nccc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)n1 ZINC000877745353 817444521 /nfs/dbraw/zinc/44/45/21/817444521.db2.gz QYZNVSXWTNDOJN-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cn(C)nc2Cl)C1 ZINC001044171171 817463476 /nfs/dbraw/zinc/46/34/76/817463476.db2.gz BQRXUNNUYIQTAW-UHFFFAOYSA-N 1 2 282.775 1.406 20 30 CDEDLO C=C(C)CC[NH+]1CC(NC(=O)c2ocnc2C(F)F)C1 ZINC001030965928 817486496 /nfs/dbraw/zinc/48/64/96/817486496.db2.gz BCKAXTCPFTYRKL-UHFFFAOYSA-N 1 2 285.294 1.992 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnnc3ccccc32)C1 ZINC001043974920 817534861 /nfs/dbraw/zinc/53/48/61/817534861.db2.gz KMDGNUQFALDNMP-UHFFFAOYSA-N 1 2 294.358 1.409 20 30 CDEDLO C#Cc1ccc(NC(=O)N(C)CC[NH+]2CCOCC2)cc1 ZINC000934934937 817569101 /nfs/dbraw/zinc/56/91/01/817569101.db2.gz YQSNVXIUMMXMFL-UHFFFAOYSA-N 1 2 287.363 1.464 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1c(F)cccc1F ZINC001038949428 817578880 /nfs/dbraw/zinc/57/88/80/817578880.db2.gz FODJFBPEGFMUJI-JTQLQIEISA-N 1 2 266.291 1.955 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1c(F)cccc1F ZINC001038949428 817578895 /nfs/dbraw/zinc/57/88/95/817578895.db2.gz FODJFBPEGFMUJI-JTQLQIEISA-N 1 2 266.291 1.955 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)OCCCn1cc[nH+]c1 ZINC000797889183 817604664 /nfs/dbraw/zinc/60/46/64/817604664.db2.gz DLLBSXVEUHUAIW-UHFFFAOYSA-N 1 2 259.265 1.903 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@H]1C)O2 ZINC001053642913 817635352 /nfs/dbraw/zinc/63/53/52/817635352.db2.gz OMULTTFXPGIVED-JHJVBQTASA-N 1 2 264.369 1.178 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)c2cncnc2)C1 ZINC001015606894 817673360 /nfs/dbraw/zinc/67/33/60/817673360.db2.gz GJFDJCBQDKDQEZ-WCQYABFASA-N 1 2 294.786 1.523 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)c2cncnc2)C1 ZINC001015606894 817673363 /nfs/dbraw/zinc/67/33/63/817673363.db2.gz GJFDJCBQDKDQEZ-WCQYABFASA-N 1 2 294.786 1.523 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccn[nH]3)cc2C1 ZINC001054256968 817768284 /nfs/dbraw/zinc/76/82/84/817768284.db2.gz UBVBYYYAZRJSNG-UHFFFAOYSA-N 1 2 280.331 1.289 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccn[nH]3)cc2C1 ZINC001054256968 817768295 /nfs/dbraw/zinc/76/82/95/817768295.db2.gz UBVBYYYAZRJSNG-UHFFFAOYSA-N 1 2 280.331 1.289 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1csc(C)n1 ZINC001051082631 817775195 /nfs/dbraw/zinc/77/51/95/817775195.db2.gz UTLGIKGYOBSGGF-GFCCVEGCSA-N 1 2 295.408 1.458 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1csc(C)n1 ZINC001051082631 817775215 /nfs/dbraw/zinc/77/52/15/817775215.db2.gz UTLGIKGYOBSGGF-GFCCVEGCSA-N 1 2 295.408 1.458 20 30 CDEDLO C=CCNC(=O)C[NH2+]Cc1occc1Br ZINC000379830280 817810972 /nfs/dbraw/zinc/81/09/72/817810972.db2.gz ZXXOAUNLIMDYDB-UHFFFAOYSA-N 1 2 273.130 1.434 20 30 CDEDLO C#CC[NH+]1CCC(N(C)C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC001006394335 817826990 /nfs/dbraw/zinc/82/69/90/817826990.db2.gz TVVBNNARTLKLTQ-UHFFFAOYSA-N 1 2 297.362 1.128 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C2CC2)cnn1C ZINC001038337848 817831093 /nfs/dbraw/zinc/83/10/93/817831093.db2.gz ZSDLXWFPCFWHGM-ZDUSSCGKSA-N 1 2 286.379 1.125 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C2CC2)cnn1C ZINC001038337848 817831094 /nfs/dbraw/zinc/83/10/94/817831094.db2.gz ZSDLXWFPCFWHGM-ZDUSSCGKSA-N 1 2 286.379 1.125 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(F)ccc2C)C1 ZINC001035461405 817840826 /nfs/dbraw/zinc/84/08/26/817840826.db2.gz SQVRXDWGZYMXDG-CQSZACIVSA-N 1 2 292.354 1.751 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(F)ccc2C)C1 ZINC001035461405 817840828 /nfs/dbraw/zinc/84/08/28/817840828.db2.gz SQVRXDWGZYMXDG-CQSZACIVSA-N 1 2 292.354 1.751 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001014758274 817844840 /nfs/dbraw/zinc/84/48/40/817844840.db2.gz VEIVLZGCXJORCR-VIFPVBQESA-N 1 2 280.759 1.063 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001014758274 817844842 /nfs/dbraw/zinc/84/48/42/817844842.db2.gz VEIVLZGCXJORCR-VIFPVBQESA-N 1 2 280.759 1.063 20 30 CDEDLO COC[C@]1(C)CC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1 ZINC000853524213 817866007 /nfs/dbraw/zinc/86/60/07/817866007.db2.gz LJFLKQVUIONLHD-UKRRQHHQSA-N 1 2 279.384 1.455 20 30 CDEDLO COC[C@]1(C)CC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1 ZINC000853524213 817866008 /nfs/dbraw/zinc/86/60/08/817866008.db2.gz LJFLKQVUIONLHD-UKRRQHHQSA-N 1 2 279.384 1.455 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC2(F)F)C1 ZINC001035410955 817874857 /nfs/dbraw/zinc/87/48/57/817874857.db2.gz GRFRIHZNXHZLAT-WDEREUQCSA-N 1 2 274.311 1.035 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC2(F)F)C1 ZINC001035410955 817874858 /nfs/dbraw/zinc/87/48/58/817874858.db2.gz GRFRIHZNXHZLAT-WDEREUQCSA-N 1 2 274.311 1.035 20 30 CDEDLO Cc1c(C[NH2+]CCC#N)c(=O)n(-c2ccccc2)n1C ZINC000425958208 817892399 /nfs/dbraw/zinc/89/23/99/817892399.db2.gz FISKPLBZUCAXMH-UHFFFAOYSA-N 1 2 270.336 1.488 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1csc2cncn21 ZINC001038761743 817963744 /nfs/dbraw/zinc/96/37/44/817963744.db2.gz WCINJGPDGUAGMJ-LLVKDONJSA-N 1 2 288.376 1.223 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1csc2cncn21 ZINC001038761743 817963754 /nfs/dbraw/zinc/96/37/54/817963754.db2.gz WCINJGPDGUAGMJ-LLVKDONJSA-N 1 2 288.376 1.223 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cn3nccc3nc2C)C1 ZINC001044110523 817987058 /nfs/dbraw/zinc/98/70/58/817987058.db2.gz RQMUEJIXWXJMGJ-UHFFFAOYSA-N 1 2 299.378 1.370 20 30 CDEDLO C#CC[C@H]1CC[N@@H+]([C@@H](C)c2nc(N)nc(Cl)n2)C1 ZINC000886364061 818000317 /nfs/dbraw/zinc/00/03/17/818000317.db2.gz NLKOQMGBOXHAQT-IUCAKERBSA-N 1 2 265.748 1.513 20 30 CDEDLO C#CC[C@H]1CC[N@H+]([C@@H](C)c2nc(N)nc(Cl)n2)C1 ZINC000886364061 818000326 /nfs/dbraw/zinc/00/03/26/818000326.db2.gz NLKOQMGBOXHAQT-IUCAKERBSA-N 1 2 265.748 1.513 20 30 CDEDLO Cc1cc(C)c(CNC(=O)c2ccc(C#N)[nH]2)c[nH+]1 ZINC001642794715 1167197795 /nfs/dbraw/zinc/19/77/95/1167197795.db2.gz XUDAYOCWMZKMNJ-UHFFFAOYSA-N 1 2 254.293 1.828 20 30 CDEDLO CC[C@@H](C(=O)NC[C@H](C)C#N)[N@@H+]1CCO[C@H](CC)C1 ZINC001565775525 1168166985 /nfs/dbraw/zinc/16/69/85/1168166985.db2.gz CJQYGIWNOFPYDF-UPJWGTAASA-N 1 2 267.373 1.152 20 30 CDEDLO CC[C@@H](C(=O)NC[C@H](C)C#N)[N@H+]1CCO[C@H](CC)C1 ZINC001565775525 1168166990 /nfs/dbraw/zinc/16/69/90/1168166990.db2.gz CJQYGIWNOFPYDF-UPJWGTAASA-N 1 2 267.373 1.152 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCCc3cccnc32)C1 ZINC001030826854 912818246 /nfs/dbraw/zinc/81/82/46/912818246.db2.gz KZYCPIDAYNHEGU-HNNXBMFYSA-N 1 2 283.375 1.325 20 30 CDEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001110184745 913535410 /nfs/dbraw/zinc/53/54/10/913535410.db2.gz VGXPZMZSMJZMST-NDBYEHHHSA-N 1 2 270.348 1.269 20 30 CDEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001110184745 913535420 /nfs/dbraw/zinc/53/54/20/913535420.db2.gz VGXPZMZSMJZMST-NDBYEHHHSA-N 1 2 270.348 1.269 20 30 CDEDLO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)CNc1ncccc1C#N ZINC001104226508 894247107 /nfs/dbraw/zinc/24/71/07/894247107.db2.gz SUAPHSCZFUICQW-NSHDSACASA-N 1 2 298.350 1.083 20 30 CDEDLO C=CCCC[N@H+]1C[C@@](O)(C(F)(F)F)C[C@H]1C(=O)OC ZINC001209157472 894507484 /nfs/dbraw/zinc/50/74/84/894507484.db2.gz WLAVDMRRWJZXAZ-GXSJLCMTSA-N 1 2 281.274 1.493 20 30 CDEDLO C=CCCC[N@@H+]1C[C@@](O)(C(F)(F)F)C[C@H]1C(=O)OC ZINC001209157472 894507489 /nfs/dbraw/zinc/50/74/89/894507489.db2.gz WLAVDMRRWJZXAZ-GXSJLCMTSA-N 1 2 281.274 1.493 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2nnc(C)s2)CC1 ZINC001176300538 914068201 /nfs/dbraw/zinc/06/82/01/914068201.db2.gz OLZAINCMCLRVCZ-UHFFFAOYSA-N 1 2 280.397 1.109 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC34CCCC4)[C@H]2C1 ZINC001083240097 896728551 /nfs/dbraw/zinc/72/85/51/896728551.db2.gz QQHKYHJIWMNLBC-SOUVJXGZSA-N 1 2 288.391 1.112 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC34CCCC4)[C@H]2C1 ZINC001083240097 896728555 /nfs/dbraw/zinc/72/85/55/896728555.db2.gz QQHKYHJIWMNLBC-SOUVJXGZSA-N 1 2 288.391 1.112 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C)cc3)[C@H]2C1 ZINC001083257102 897314899 /nfs/dbraw/zinc/31/48/99/897314899.db2.gz HHDSNJMBOOESHO-JKSUJKDBSA-N 1 2 284.359 1.153 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C)cc3)[C@H]2C1 ZINC001083257102 897314907 /nfs/dbraw/zinc/31/49/07/897314907.db2.gz HHDSNJMBOOESHO-JKSUJKDBSA-N 1 2 284.359 1.153 20 30 CDEDLO C[C@H](CC(=O)N1C[C@@H](CNCC#N)[C@H](C)C1)n1cc[nH+]c1 ZINC001106712982 914172233 /nfs/dbraw/zinc/17/22/33/914172233.db2.gz VTGXYNQJMDUQHH-MGPQQGTHSA-N 1 2 289.383 1.042 20 30 CDEDLO N#Cc1nn(-c2ccc[nH+]c2N2CCCC2)cc1N ZINC001176749679 914240963 /nfs/dbraw/zinc/24/09/63/914240963.db2.gz KWIZEIJAXLFYFD-UHFFFAOYSA-N 1 2 254.297 1.321 20 30 CDEDLO Cc1nc(NC[C@H](NC(=O)[C@H](C)C#N)C(C)(C)C)cc[nH+]1 ZINC001125821850 898491808 /nfs/dbraw/zinc/49/18/08/898491808.db2.gz LIDCVUDYQZTPBL-PWSUYJOCSA-N 1 2 289.383 1.888 20 30 CDEDLO C[C@@H](CNc1ccc(C#N)cn1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001104650761 898842855 /nfs/dbraw/zinc/84/28/55/898842855.db2.gz YXGFZEBTFPAOIZ-NSHDSACASA-N 1 2 298.350 1.178 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](CC=C(C)C)C2)nc1 ZINC001031278787 914328589 /nfs/dbraw/zinc/32/85/89/914328589.db2.gz XRSGQQMJWRHBDV-UHFFFAOYSA-N 1 2 269.348 1.443 20 30 CDEDLO N#Cc1cc(N)c(NC(=O)CCn2cc[nH+]c2)cc1C#N ZINC001176878086 914330233 /nfs/dbraw/zinc/33/02/33/914330233.db2.gz BOASAIULMCDAIM-UHFFFAOYSA-N 1 2 280.291 1.237 20 30 CDEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)C(C)C)C[C@H]21 ZINC001176911980 914389242 /nfs/dbraw/zinc/38/92/42/914389242.db2.gz FUDGBHCJVXXHRO-CABCVRRESA-N 1 2 296.411 1.147 20 30 CDEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)C)C[C@H]21 ZINC001176911980 914389249 /nfs/dbraw/zinc/38/92/49/914389249.db2.gz FUDGBHCJVXXHRO-CABCVRRESA-N 1 2 296.411 1.147 20 30 CDEDLO C#CCCCCC(=O)NCC[NH2+]Cc1nn(C)cc1Cl ZINC001125938637 900088690 /nfs/dbraw/zinc/08/86/90/900088690.db2.gz FJQHVJHUKFBONQ-UHFFFAOYSA-N 1 2 296.802 1.473 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCc2cccnc2)C1 ZINC001481634285 901538562 /nfs/dbraw/zinc/53/85/62/901538562.db2.gz UJJSXRRJXLUSOJ-UHFFFAOYSA-N 1 2 293.798 1.815 20 30 CDEDLO N#CCc1ccc[nH+]c1NCCc1cc(O)c(O)cc1O ZINC001168009417 905419722 /nfs/dbraw/zinc/41/97/22/905419722.db2.gz IBPNBLXRIAJHOM-UHFFFAOYSA-N 1 2 285.303 1.919 20 30 CDEDLO C[N@@H+]1CCC12CN(C(=O)C(C)(C)Oc1ccc(C#N)cc1)C2 ZINC001271033333 905574505 /nfs/dbraw/zinc/57/45/05/905574505.db2.gz NMKAQFUXEOOFQX-UHFFFAOYSA-N 1 2 299.374 1.632 20 30 CDEDLO C[N@H+]1CCC12CN(C(=O)C(C)(C)Oc1ccc(C#N)cc1)C2 ZINC001271033333 905574516 /nfs/dbraw/zinc/57/45/16/905574516.db2.gz NMKAQFUXEOOFQX-UHFFFAOYSA-N 1 2 299.374 1.632 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001075820310 905864627 /nfs/dbraw/zinc/86/46/27/905864627.db2.gz VSNZFKMJALMHRQ-IVZWLZJFSA-N 1 2 278.249 1.053 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001075820310 905864641 /nfs/dbraw/zinc/86/46/41/905864641.db2.gz VSNZFKMJALMHRQ-IVZWLZJFSA-N 1 2 278.249 1.053 20 30 CDEDLO CSc1nc(CN2CCn3c[nH+]cc3C2)ccc1C#N ZINC001141941763 906136406 /nfs/dbraw/zinc/13/64/06/906136406.db2.gz WRQRJUXCGSFJNC-UHFFFAOYSA-N 1 2 285.376 1.887 20 30 CDEDLO C=C(C)C(=O)OCCNc1nc(NC2CC2)c(OC)c[nH+]1 ZINC001168069877 906649612 /nfs/dbraw/zinc/64/96/12/906649612.db2.gz MKCDEBOIGQNHKD-UHFFFAOYSA-N 1 2 292.339 1.591 20 30 CDEDLO C=CCO[C@H](C)C(=O)N(C)CCN(C)c1cc[nH+]c(C)n1 ZINC001105421842 907027965 /nfs/dbraw/zinc/02/79/65/907027965.db2.gz DUVHGOXWAUWCDK-GFCCVEGCSA-N 1 2 292.383 1.271 20 30 CDEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001128414379 921298874 /nfs/dbraw/zinc/29/88/74/921298874.db2.gz ZEGXKGOPIQELGE-UHFFFAOYSA-N 1 2 294.399 1.929 20 30 CDEDLO C[C@H]1[C@@H]([NH2+]Cc2csnn2)CCN1C(=O)C#CC1CC1 ZINC000986283693 907464515 /nfs/dbraw/zinc/46/45/15/907464515.db2.gz YEAKGBMEFMBXRP-GWCFXTLKSA-N 1 2 290.392 1.031 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1OC ZINC001212024486 908255754 /nfs/dbraw/zinc/25/57/54/908255754.db2.gz VDHHNZQAYNAGQV-LWSHCTJVSA-N 1 2 272.776 1.521 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1OC ZINC001212024486 908255757 /nfs/dbraw/zinc/25/57/57/908255757.db2.gz VDHHNZQAYNAGQV-LWSHCTJVSA-N 1 2 272.776 1.521 20 30 CDEDLO Cc1cnc([C@@H](C)[NH2+]CCNC(=O)C#CC(C)C)o1 ZINC001126815937 909298182 /nfs/dbraw/zinc/29/81/82/909298182.db2.gz QDZAJJANLMIFHS-GFCCVEGCSA-N 1 2 263.341 1.409 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC001038063835 909578857 /nfs/dbraw/zinc/57/88/57/909578857.db2.gz LUKXVXGWOFAPIB-VIFPVBQESA-N 1 2 254.717 1.923 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC001038063835 909578865 /nfs/dbraw/zinc/57/88/65/909578865.db2.gz LUKXVXGWOFAPIB-VIFPVBQESA-N 1 2 254.717 1.923 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cnco3)CC2)C1 ZINC001093557618 910009238 /nfs/dbraw/zinc/00/92/38/910009238.db2.gz CIOMFPJOSWBXLU-UHFFFAOYSA-N 1 2 291.351 1.166 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1c(C)n[nH]c1C ZINC001483414906 911084969 /nfs/dbraw/zinc/08/49/69/911084969.db2.gz NCOFNNCZNVGLSG-SNVBAGLBSA-N 1 2 298.818 1.758 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1c(C)n[nH]c1C ZINC001483414906 911084988 /nfs/dbraw/zinc/08/49/88/911084988.db2.gz NCOFNNCZNVGLSG-SNVBAGLBSA-N 1 2 298.818 1.758 20 30 CDEDLO CC(=O)[C@H]1C[N@H+]([C@H](C)Cc2ccc(C#N)cc2)CCO1 ZINC001172315874 911559123 /nfs/dbraw/zinc/55/91/23/911559123.db2.gz LSKWCDLMFGMAJZ-MLGOLLRUSA-N 1 2 272.348 1.779 20 30 CDEDLO CC(=O)[C@H]1C[N@@H+]([C@H](C)Cc2ccc(C#N)cc2)CCO1 ZINC001172315874 911559134 /nfs/dbraw/zinc/55/91/34/911559134.db2.gz LSKWCDLMFGMAJZ-MLGOLLRUSA-N 1 2 272.348 1.779 20 30 CDEDLO COC(=O)[C@@H]1CCC[C@@H]([N@@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001172626933 911842271 /nfs/dbraw/zinc/84/22/71/911842271.db2.gz QAPCLMSSUUCEJB-RAIGVLPGSA-N 1 2 295.404 1.992 20 30 CDEDLO COC(=O)[C@@H]1CCC[C@@H]([N@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001172626933 911842276 /nfs/dbraw/zinc/84/22/76/911842276.db2.gz QAPCLMSSUUCEJB-RAIGVLPGSA-N 1 2 295.404 1.992 20 30 CDEDLO COC(=O)[C@@H]1CCC[C@@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001172626933 911842289 /nfs/dbraw/zinc/84/22/89/911842289.db2.gz QAPCLMSSUUCEJB-RAIGVLPGSA-N 1 2 295.404 1.992 20 30 CDEDLO COC(=O)[C@@H]1CCC[C@@H]([N@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001172626933 911842303 /nfs/dbraw/zinc/84/23/03/911842303.db2.gz QAPCLMSSUUCEJB-RAIGVLPGSA-N 1 2 295.404 1.992 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001106067081 912138357 /nfs/dbraw/zinc/13/83/57/912138357.db2.gz PTDOPLHTDXMBAV-AAEUAGOBSA-N 1 2 292.383 1.276 20 30 CDEDLO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cnns1 ZINC001089614860 914990176 /nfs/dbraw/zinc/99/01/76/914990176.db2.gz LJXNJCOPARAGIJ-NSHDSACASA-N 1 2 292.408 1.392 20 30 CDEDLO C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cnns1 ZINC001089614860 914990188 /nfs/dbraw/zinc/99/01/88/914990188.db2.gz LJXNJCOPARAGIJ-NSHDSACASA-N 1 2 292.408 1.392 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)Cc2ccccn2)CC1 ZINC001178185587 915249823 /nfs/dbraw/zinc/24/98/23/915249823.db2.gz LSHQGPLUXWCWBP-UHFFFAOYSA-N 1 2 287.407 1.981 20 30 CDEDLO Cc1c[nH+]c2n1CCC21CCN(C(=O)[C@H](C)C#N)CC1 ZINC001179896999 916036494 /nfs/dbraw/zinc/03/64/94/916036494.db2.gz XGQVQZUFINDEFF-LLVKDONJSA-N 1 2 272.352 1.615 20 30 CDEDLO CC(C)Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H](C)C#N)o1 ZINC001124903126 936343229 /nfs/dbraw/zinc/34/32/29/936343229.db2.gz OLXTWCKNLBITHA-MNOVXSKESA-N 1 2 293.371 1.195 20 30 CDEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]ncc1F)C2 ZINC001097796782 936381447 /nfs/dbraw/zinc/38/14/47/936381447.db2.gz FZZAFMRQCIWUEU-IEBDPFPHSA-N 1 2 264.304 1.070 20 30 CDEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]ncc1F)C2 ZINC001097796782 936381451 /nfs/dbraw/zinc/38/14/51/936381451.db2.gz FZZAFMRQCIWUEU-IEBDPFPHSA-N 1 2 264.304 1.070 20 30 CDEDLO Cc1coc(NC(=O)Cc2cc[nH+]c(N)c2)c1C#N ZINC001181239929 916907977 /nfs/dbraw/zinc/90/79/77/916907977.db2.gz HVJCTGHNYHCPNK-UHFFFAOYSA-N 1 2 256.265 1.618 20 30 CDEDLO CCCCc1noc([C@@H](C)[NH2+]CCNC(=O)[C@H](C)C#N)n1 ZINC001124908624 917757400 /nfs/dbraw/zinc/75/74/00/917757400.db2.gz OHEVHOROEROTAQ-GHMZBOCLSA-N 1 2 293.371 1.339 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001182932246 918239180 /nfs/dbraw/zinc/23/91/80/918239180.db2.gz HWHWPEITTVGDMV-LLVKDONJSA-N 1 2 280.397 1.585 20 30 CDEDLO N#C[C@@H]1COCCN1C(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183748672 918678220 /nfs/dbraw/zinc/67/82/20/918678220.db2.gz KAZGGMXYQDDTLN-CABCVRRESA-N 1 2 285.347 1.012 20 30 CDEDLO N#C[C@@H]1COCCN1C(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001183748672 918678233 /nfs/dbraw/zinc/67/82/33/918678233.db2.gz KAZGGMXYQDDTLN-CABCVRRESA-N 1 2 285.347 1.012 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2c(C)ccn2C)C1 ZINC001107897553 919018574 /nfs/dbraw/zinc/01/85/74/919018574.db2.gz KNBNLMYEQQRXEJ-MRXNPFEDSA-N 1 2 291.395 1.340 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2c(C)ccn2C)C1 ZINC001107897553 919018587 /nfs/dbraw/zinc/01/85/87/919018587.db2.gz KNBNLMYEQQRXEJ-MRXNPFEDSA-N 1 2 291.395 1.340 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC001050875023 936566235 /nfs/dbraw/zinc/56/62/35/936566235.db2.gz XEDWVXTZGMYUMQ-QWHCGFSZSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC001050875023 936566236 /nfs/dbraw/zinc/56/62/36/936566236.db2.gz XEDWVXTZGMYUMQ-QWHCGFSZSA-N 1 2 266.385 1.426 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001050911546 936566913 /nfs/dbraw/zinc/56/69/13/936566913.db2.gz SXOXCHQISIWICE-QWRGUYRKSA-N 1 2 274.311 1.035 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001050911546 936566915 /nfs/dbraw/zinc/56/69/15/936566915.db2.gz SXOXCHQISIWICE-QWRGUYRKSA-N 1 2 274.311 1.035 20 30 CDEDLO Cn1ncc(Nc2ccc[nH+]c2N2CCOCC2)c1C#N ZINC001212356053 919252492 /nfs/dbraw/zinc/25/24/92/919252492.db2.gz KLFGFMMQQPAFDO-UHFFFAOYSA-N 1 2 284.323 1.267 20 30 CDEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)CC(C)C)C2)CC1 ZINC001051972316 936575489 /nfs/dbraw/zinc/57/54/89/936575489.db2.gz LUUHTJBLOUQLSS-MRXNPFEDSA-N 1 2 291.439 1.274 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2nc[nH]c21 ZINC001032620796 919517263 /nfs/dbraw/zinc/51/72/63/919517263.db2.gz MNLMLSXTDQLUOU-IHRRRGAJSA-N 1 2 298.390 1.138 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2nc[nH]c21 ZINC001032620796 919517276 /nfs/dbraw/zinc/51/72/76/919517276.db2.gz MNLMLSXTDQLUOU-IHRRRGAJSA-N 1 2 298.390 1.138 20 30 CDEDLO C=CCCCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nnc(C)o2)C1 ZINC001185314082 919534852 /nfs/dbraw/zinc/53/48/52/919534852.db2.gz UIGMCOMBVPVAGX-DGCLKSJQSA-N 1 2 292.383 1.986 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(F)cccc1F ZINC001032751940 919917222 /nfs/dbraw/zinc/91/72/22/919917222.db2.gz UFGWYQAGCZRVJI-RYUDHWBXSA-N 1 2 290.313 1.887 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(F)cccc1F ZINC001032751940 919917232 /nfs/dbraw/zinc/91/72/32/919917232.db2.gz UFGWYQAGCZRVJI-RYUDHWBXSA-N 1 2 290.313 1.887 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)C2CCC2)C1 ZINC001108021169 919985410 /nfs/dbraw/zinc/98/54/10/919985410.db2.gz VJXMJRIJRXEDIZ-YOEHRIQHSA-N 1 2 292.423 1.653 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)C2CCC2)C1 ZINC001108021169 919985422 /nfs/dbraw/zinc/98/54/22/919985422.db2.gz VJXMJRIJRXEDIZ-YOEHRIQHSA-N 1 2 292.423 1.653 20 30 CDEDLO C=CCN1C(=O)COCC12C[NH+](Cc1ccc(C#N)cc1)C2 ZINC001272907726 920021246 /nfs/dbraw/zinc/02/12/46/920021246.db2.gz 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/nfs/dbraw/zinc/04/54/96/922045496.db2.gz LKRWULWJDMQHLF-UHFFFAOYSA-N 1 2 291.326 1.102 20 30 CDEDLO N#Cc1ccc(Cl)c(C[N@H+]2CCOC[C@H](O)C2)c1 ZINC001140600605 936729737 /nfs/dbraw/zinc/72/97/37/936729737.db2.gz PSOBSIVNHALZJX-GFCCVEGCSA-N 1 2 266.728 1.405 20 30 CDEDLO N#Cc1ccc(Cl)c(C[N@@H+]2CCOC[C@H](O)C2)c1 ZINC001140600605 936729738 /nfs/dbraw/zinc/72/97/38/936729738.db2.gz PSOBSIVNHALZJX-GFCCVEGCSA-N 1 2 266.728 1.405 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cnnn2C)C1 ZINC001033817848 922381461 /nfs/dbraw/zinc/38/14/61/922381461.db2.gz UJNPBDATSGWGOW-LLVKDONJSA-N 1 2 297.790 1.104 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnnn2C)C1 ZINC001033817848 922381469 /nfs/dbraw/zinc/38/14/69/922381469.db2.gz UJNPBDATSGWGOW-LLVKDONJSA-N 1 2 297.790 1.104 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001108146186 922770141 /nfs/dbraw/zinc/77/01/41/922770141.db2.gz RDKIBGSIDWMUDG-YOEHRIQHSA-N 1 2 292.423 1.653 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001108146186 922770148 /nfs/dbraw/zinc/77/01/48/922770148.db2.gz RDKIBGSIDWMUDG-YOEHRIQHSA-N 1 2 292.423 1.653 20 30 CDEDLO C=CCO[C@H](C)C(=O)NCC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001099248533 936783992 /nfs/dbraw/zinc/78/39/92/936783992.db2.gz QIJYCOTXPGCAKU-VXGBXAGGSA-N 1 2 292.383 1.683 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(F)s2)C1 ZINC001035620065 923010517 /nfs/dbraw/zinc/01/05/17/923010517.db2.gz DAFPAWKZVUVKLP-LLVKDONJSA-N 1 2 296.367 1.341 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccc(F)s2)C1 ZINC001035620065 923010533 /nfs/dbraw/zinc/01/05/33/923010533.db2.gz DAFPAWKZVUVKLP-LLVKDONJSA-N 1 2 296.367 1.341 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(F)cc2F)C1 ZINC001035592497 923012803 /nfs/dbraw/zinc/01/28/03/923012803.db2.gz LRKSACOUMZLAMU-LBPRGKRZSA-N 1 2 296.317 1.581 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(F)cc2F)C1 ZINC001035592497 923012816 /nfs/dbraw/zinc/01/28/16/923012816.db2.gz LRKSACOUMZLAMU-LBPRGKRZSA-N 1 2 296.317 1.581 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccns2)C[C@H]1O ZINC001099729606 936804474 /nfs/dbraw/zinc/80/44/74/936804474.db2.gz JVTXVQAQMWPECL-CHWSQXEVSA-N 1 2 295.408 1.161 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](Cc2ccns2)C[C@H]1O ZINC001099729606 936804475 /nfs/dbraw/zinc/80/44/75/936804475.db2.gz JVTXVQAQMWPECL-CHWSQXEVSA-N 1 2 295.408 1.161 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC2CC2)[C@@H](O)C1 ZINC001099749177 936805684 /nfs/dbraw/zinc/80/56/84/936805684.db2.gz HBIZOPUXTYYJNC-STQMWFEESA-N 1 2 286.803 1.481 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC2CC2)[C@@H](O)C1 ZINC001099749177 936805686 /nfs/dbraw/zinc/80/56/86/936805686.db2.gz HBIZOPUXTYYJNC-STQMWFEESA-N 1 2 286.803 1.481 20 30 CDEDLO C=C(C)CCC(=O)N[C@H]1CC[N@H+](CC(=C)Cl)C[C@H]1O ZINC001099850550 936814158 /nfs/dbraw/zinc/81/41/58/936814158.db2.gz PTVSTHUPVCECNY-QWHCGFSZSA-N 1 2 286.803 1.647 20 30 CDEDLO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CC(=C)Cl)C[C@H]1O ZINC001099850550 936814159 /nfs/dbraw/zinc/81/41/59/936814159.db2.gz PTVSTHUPVCECNY-QWHCGFSZSA-N 1 2 286.803 1.647 20 30 CDEDLO N#CCS(=O)(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC001192972029 923393730 /nfs/dbraw/zinc/39/37/30/923393730.db2.gz FXTKKXSWODCQTJ-UHFFFAOYSA-N 1 2 279.365 1.548 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)[C@H](C)C2)C1 ZINC000923565847 923943598 /nfs/dbraw/zinc/94/35/98/923943598.db2.gz GPUAQZJCHUIQMX-RDBSUJKOSA-N 1 2 276.380 1.206 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)[C@H](C)C2)C1 ZINC000923565847 923943608 /nfs/dbraw/zinc/94/36/08/923943608.db2.gz GPUAQZJCHUIQMX-RDBSUJKOSA-N 1 2 276.380 1.206 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2c(C)noc2C(F)F)C1 ZINC000923572869 923949656 /nfs/dbraw/zinc/94/96/56/923949656.db2.gz LRAVQDDREHWRBV-SNVBAGLBSA-N 1 2 297.305 1.748 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)noc2C(F)F)C1 ZINC000923572869 923949670 /nfs/dbraw/zinc/94/96/70/923949670.db2.gz LRAVQDDREHWRBV-SNVBAGLBSA-N 1 2 297.305 1.748 20 30 CDEDLO N#Cc1cncc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC001194107584 924063347 /nfs/dbraw/zinc/06/33/47/924063347.db2.gz FFBOKIVQMHQOTM-LBPRGKRZSA-N 1 2 281.319 1.696 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)CCC(C)C)CC1 ZINC001194787088 924337427 /nfs/dbraw/zinc/33/74/27/924337427.db2.gz PLVPBBYYBDXRAF-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)CCC(C)C)CC1 ZINC001194787088 924337434 /nfs/dbraw/zinc/33/74/34/924337434.db2.gz PLVPBBYYBDXRAF-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)CCCC)CC1 ZINC001194876055 924379704 /nfs/dbraw/zinc/37/97/04/924379704.db2.gz GZHZRMQAUJRLCU-UHFFFAOYSA-N 1 2 281.400 1.013 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCC)CC1 ZINC001194876055 924379707 /nfs/dbraw/zinc/37/97/07/924379707.db2.gz GZHZRMQAUJRLCU-UHFFFAOYSA-N 1 2 281.400 1.013 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]c(C)nc2C)C1 ZINC001080463200 924573784 /nfs/dbraw/zinc/57/37/84/924573784.db2.gz FMZOSLMRXIGAET-PRHODGIISA-N 1 2 296.802 1.829 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]c(C)nc2C)C1 ZINC001080463200 924573793 /nfs/dbraw/zinc/57/37/93/924573793.db2.gz FMZOSLMRXIGAET-PRHODGIISA-N 1 2 296.802 1.829 20 30 CDEDLO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)ncc1O ZINC001196400874 924896122 /nfs/dbraw/zinc/89/61/22/924896122.db2.gz SAFSYHLWMHMUTA-JTQLQIEISA-N 1 2 295.770 1.821 20 30 CDEDLO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)ncc1O ZINC001196400874 924896137 /nfs/dbraw/zinc/89/61/37/924896137.db2.gz SAFSYHLWMHMUTA-JTQLQIEISA-N 1 2 295.770 1.821 20 30 CDEDLO CSc1nc(C[N@H+]2CCc3nccn3CC2)ccc1C#N ZINC001141943911 936956792 /nfs/dbraw/zinc/95/67/92/936956792.db2.gz OZCSWIBEGSARAX-UHFFFAOYSA-N 1 2 299.403 1.930 20 30 CDEDLO CSc1nc(C[N@@H+]2CCc3nccn3CC2)ccc1C#N ZINC001141943911 936956794 /nfs/dbraw/zinc/95/67/94/936956794.db2.gz OZCSWIBEGSARAX-UHFFFAOYSA-N 1 2 299.403 1.930 20 30 CDEDLO CSc1nc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)ccc1C#N ZINC001141943771 936956372 /nfs/dbraw/zinc/95/63/72/936956372.db2.gz KEMLQHZLMJJWPM-CYBMUJFWSA-N 1 2 290.392 1.386 20 30 CDEDLO CSc1nc(C[N@H+]2CC[C@@H](NC(C)=O)C2)ccc1C#N ZINC001141943771 936956374 /nfs/dbraw/zinc/95/63/74/936956374.db2.gz KEMLQHZLMJJWPM-CYBMUJFWSA-N 1 2 290.392 1.386 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(O)cc2OC)CC1 ZINC001197166939 925080080 /nfs/dbraw/zinc/08/00/80/925080080.db2.gz WJVAEPLFPRZPQY-UHFFFAOYSA-N 1 2 276.336 1.345 20 30 CDEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3csc(C)n3)[C@H]2C1 ZINC001083173909 925111672 /nfs/dbraw/zinc/11/16/72/925111672.db2.gz IYKCXTUYXKMMOQ-QWHCGFSZSA-N 1 2 293.392 1.163 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3csc(C)n3)[C@H]2C1 ZINC001083173909 925111681 /nfs/dbraw/zinc/11/16/81/925111681.db2.gz IYKCXTUYXKMMOQ-QWHCGFSZSA-N 1 2 293.392 1.163 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001197292393 925116947 /nfs/dbraw/zinc/11/69/47/925116947.db2.gz YLTJEVLKAZROIQ-ZDUSSCGKSA-N 1 2 293.411 1.012 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001197292393 925116951 /nfs/dbraw/zinc/11/69/51/925116951.db2.gz YLTJEVLKAZROIQ-ZDUSSCGKSA-N 1 2 293.411 1.012 20 30 CDEDLO C#CC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000820346059 925521691 /nfs/dbraw/zinc/52/16/91/925521691.db2.gz ZCPUDSNRTMAZGT-ZDUSSCGKSA-N 1 2 257.337 1.317 20 30 CDEDLO N#Cc1[nH]cnc1NC(=O)c1c[nH+]ccc1N1CCCC1 ZINC001199364507 925698599 /nfs/dbraw/zinc/69/85/99/925698599.db2.gz DAPBVDDSWPKURL-UHFFFAOYSA-N 1 2 282.307 1.529 20 30 CDEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1nnc(C)o1 ZINC001273792530 925901458 /nfs/dbraw/zinc/90/14/58/925901458.db2.gz TXXYVSLTFRTITA-VXGBXAGGSA-N 1 2 276.340 1.129 20 30 CDEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1nnc(C)o1 ZINC001273792530 925901464 /nfs/dbraw/zinc/90/14/64/925901464.db2.gz TXXYVSLTFRTITA-VXGBXAGGSA-N 1 2 276.340 1.129 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1F ZINC001085456787 926002210 /nfs/dbraw/zinc/00/22/10/926002210.db2.gz SSUQIFSASIPXNY-GFCCVEGCSA-N 1 2 260.312 1.605 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1F ZINC001085456787 926002216 /nfs/dbraw/zinc/00/22/16/926002216.db2.gz SSUQIFSASIPXNY-GFCCVEGCSA-N 1 2 260.312 1.605 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ncoc1CC ZINC001085522239 926113721 /nfs/dbraw/zinc/11/37/21/926113721.db2.gz IEWKPBUZHJKPFN-NSHDSACASA-N 1 2 261.325 1.017 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncoc1CC ZINC001085522239 926113726 /nfs/dbraw/zinc/11/37/26/926113726.db2.gz IEWKPBUZHJKPFN-NSHDSACASA-N 1 2 261.325 1.017 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCc2c[nH]nc21 ZINC001085597455 926198357 /nfs/dbraw/zinc/19/83/57/926198357.db2.gz YLUYKYBIKLUXBV-KGLIPLIRSA-N 1 2 288.395 1.548 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCc2c[nH]nc21 ZINC001085597455 926198359 /nfs/dbraw/zinc/19/83/59/926198359.db2.gz YLUYKYBIKLUXBV-KGLIPLIRSA-N 1 2 288.395 1.548 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccnn1[C@@H](C)CC ZINC001085623078 926221679 /nfs/dbraw/zinc/22/16/79/926221679.db2.gz KDXSPQICTWLWQZ-KBPBESRZSA-N 1 2 288.395 1.634 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccnn1[C@@H](C)CC ZINC001085623078 926221687 /nfs/dbraw/zinc/22/16/87/926221687.db2.gz KDXSPQICTWLWQZ-KBPBESRZSA-N 1 2 288.395 1.634 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(COC)o1 ZINC001085711418 926318943 /nfs/dbraw/zinc/31/89/43/926318943.db2.gz HVJBVTXQTHJGGZ-ZDUSSCGKSA-N 1 2 290.363 1.596 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(COC)o1 ZINC001085711418 926318950 /nfs/dbraw/zinc/31/89/50/926318950.db2.gz HVJBVTXQTHJGGZ-ZDUSSCGKSA-N 1 2 290.363 1.596 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C)c(C)n1 ZINC001085725671 926324134 /nfs/dbraw/zinc/32/41/34/926324134.db2.gz CJNLLOBJAYCJKO-AWEZNQCLSA-N 1 2 271.364 1.478 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C)c(C)n1 ZINC001085725671 926324140 /nfs/dbraw/zinc/32/41/40/926324140.db2.gz CJNLLOBJAYCJKO-AWEZNQCLSA-N 1 2 271.364 1.478 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(F)F)n(C)n1 ZINC001085724029 926335971 /nfs/dbraw/zinc/33/59/71/926335971.db2.gz LORAEMAQRDNIJQ-JTQLQIEISA-N 1 2 296.321 1.137 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(F)F)n(C)n1 ZINC001085724029 926335973 /nfs/dbraw/zinc/33/59/73/926335973.db2.gz LORAEMAQRDNIJQ-JTQLQIEISA-N 1 2 296.321 1.137 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2cc(C)nc2c1 ZINC001085818273 926425409 /nfs/dbraw/zinc/42/54/09/926425409.db2.gz WIUJZGZIKFXZRV-OAHLLOKOSA-N 1 2 296.374 1.422 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2cc(C)nc2c1 ZINC001085818273 926425415 /nfs/dbraw/zinc/42/54/15/926425415.db2.gz WIUJZGZIKFXZRV-OAHLLOKOSA-N 1 2 296.374 1.422 20 30 CDEDLO COC(=O)CCC[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001202220016 926499063 /nfs/dbraw/zinc/49/90/63/926499063.db2.gz MCWCIYTUJKCBBR-SNVBAGLBSA-N 1 2 255.339 1.214 20 30 CDEDLO COC(=O)CCC[N@H+]1CCC2SC(=O)C=C2C1 ZINC001202220016 926499067 /nfs/dbraw/zinc/49/90/67/926499067.db2.gz MCWCIYTUJKCBBR-SNVBAGLBSA-N 1 2 255.339 1.214 20 30 CDEDLO COC(=O)CCC[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001202220016 926499073 /nfs/dbraw/zinc/49/90/73/926499073.db2.gz MCWCIYTUJKCBBR-SNVBAGLBSA-N 1 2 255.339 1.214 20 30 CDEDLO COC(=O)CCC[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001202220016 926499076 /nfs/dbraw/zinc/49/90/76/926499076.db2.gz MCWCIYTUJKCBBR-SNVBAGLBSA-N 1 2 255.339 1.214 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1oc(CCC)nc1C ZINC001085925972 926509480 /nfs/dbraw/zinc/50/94/80/926509480.db2.gz KMCBCHPGWOSUMV-ZDUSSCGKSA-N 1 2 289.379 1.715 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1oc(CCC)nc1C ZINC001085925972 926509486 /nfs/dbraw/zinc/50/94/86/926509486.db2.gz KMCBCHPGWOSUMV-ZDUSSCGKSA-N 1 2 289.379 1.715 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncccc1Cl ZINC001085936904 926524114 /nfs/dbraw/zinc/52/41/14/926524114.db2.gz QFEOBRQGNWZJEF-GFCCVEGCSA-N 1 2 291.782 1.905 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ncccc1Cl ZINC001085936904 926524120 /nfs/dbraw/zinc/52/41/20/926524120.db2.gz QFEOBRQGNWZJEF-GFCCVEGCSA-N 1 2 291.782 1.905 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cncnc1C1CC1 ZINC001085952399 926537115 /nfs/dbraw/zinc/53/71/15/926537115.db2.gz AUHVLZADFGBKJD-CQSZACIVSA-N 1 2 298.390 1.524 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cncnc1C1CC1 ZINC001085952399 926537120 /nfs/dbraw/zinc/53/71/20/926537120.db2.gz AUHVLZADFGBKJD-CQSZACIVSA-N 1 2 298.390 1.524 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1n[nH]c2ccccc21 ZINC001085956258 926540865 /nfs/dbraw/zinc/54/08/65/926540865.db2.gz WYTMJLCXAMBXGD-GFCCVEGCSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1n[nH]c2ccccc21 ZINC001085956258 926540871 /nfs/dbraw/zinc/54/08/71/926540871.db2.gz WYTMJLCXAMBXGD-GFCCVEGCSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccn1C(C)C ZINC001085975049 926559479 /nfs/dbraw/zinc/55/94/79/926559479.db2.gz MFWFGMYVUTXROC-CQSZACIVSA-N 1 2 273.380 1.849 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccn1C(C)C ZINC001085975049 926559483 /nfs/dbraw/zinc/55/94/83/926559483.db2.gz MFWFGMYVUTXROC-CQSZACIVSA-N 1 2 273.380 1.849 20 30 CDEDLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143165143 937127545 /nfs/dbraw/zinc/12/75/45/937127545.db2.gz VVQRRWNCBYSRLL-SCZZXKLOSA-N 1 2 252.264 1.792 20 30 CDEDLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143165143 937127548 /nfs/dbraw/zinc/12/75/48/937127548.db2.gz VVQRRWNCBYSRLL-SCZZXKLOSA-N 1 2 252.264 1.792 20 30 CDEDLO Cc1c[nH+]c2n1CCC21CCN(C(=O)CCC#N)CC1 ZINC001143193935 937133231 /nfs/dbraw/zinc/13/32/31/937133231.db2.gz FZHZFMRRMFNKCJ-UHFFFAOYSA-N 1 2 272.352 1.759 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)C2CC2)C1 ZINC001108425174 927544781 /nfs/dbraw/zinc/54/47/81/927544781.db2.gz ZIIHEAYCZPTBOH-CZUORRHYSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)C2CC2)C1 ZINC001108425174 927544786 /nfs/dbraw/zinc/54/47/86/927544786.db2.gz ZIIHEAYCZPTBOH-CZUORRHYSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC[N@@H+]1CCCO[C@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001149744499 937203062 /nfs/dbraw/zinc/20/30/62/937203062.db2.gz BGJMRIDWLZTHMN-NXEZZACHSA-N 1 2 298.280 1.280 20 30 CDEDLO C=CC[N@H+]1CCCO[C@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001149744499 937203064 /nfs/dbraw/zinc/20/30/64/937203064.db2.gz BGJMRIDWLZTHMN-NXEZZACHSA-N 1 2 298.280 1.280 20 30 CDEDLO C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001149744499 937203066 /nfs/dbraw/zinc/20/30/66/937203066.db2.gz BGJMRIDWLZTHMN-NXEZZACHSA-N 1 2 298.280 1.280 20 30 CDEDLO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001149744499 937203068 /nfs/dbraw/zinc/20/30/68/937203068.db2.gz BGJMRIDWLZTHMN-NXEZZACHSA-N 1 2 298.280 1.280 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC001169908055 928511338 /nfs/dbraw/zinc/51/13/38/928511338.db2.gz SHWBLVDMZBCALG-MNOVXSKESA-N 1 2 289.397 1.123 20 30 CDEDLO C=CC[C@H]([NH2+][C@H]1CCCC2(C1)OCCO2)C(=O)OC ZINC001169912676 928516526 /nfs/dbraw/zinc/51/65/26/928516526.db2.gz FZYMAUMRIGBUIV-RYUDHWBXSA-N 1 2 269.341 1.379 20 30 CDEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)n1 ZINC001109046025 928775029 /nfs/dbraw/zinc/77/50/29/928775029.db2.gz HADFPNDIVSZARK-ILXRZTDVSA-N 1 2 288.395 1.608 20 30 CDEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(C)n1 ZINC001109046025 928775037 /nfs/dbraw/zinc/77/50/37/928775037.db2.gz HADFPNDIVSZARK-ILXRZTDVSA-N 1 2 288.395 1.608 20 30 CDEDLO Cc1nocc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C#N)C2 ZINC001109080194 928788296 /nfs/dbraw/zinc/78/82/96/928788296.db2.gz NXCAPVDAJPVIBZ-VZLIPTOUSA-N 1 2 288.351 1.364 20 30 CDEDLO Cc1nocc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C#N)C2 ZINC001109080194 928788300 /nfs/dbraw/zinc/78/83/00/928788300.db2.gz NXCAPVDAJPVIBZ-VZLIPTOUSA-N 1 2 288.351 1.364 20 30 CDEDLO Cc1nccnc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C#N)C2 ZINC001109088537 928791734 /nfs/dbraw/zinc/79/17/34/928791734.db2.gz OGDHYSKUSFSSFN-QJZXMWHDSA-N 1 2 299.378 1.166 20 30 CDEDLO Cc1nccnc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C#N)C2 ZINC001109088537 928791739 /nfs/dbraw/zinc/79/17/39/928791739.db2.gz OGDHYSKUSFSSFN-QJZXMWHDSA-N 1 2 299.378 1.166 20 30 CDEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001109266188 928863412 /nfs/dbraw/zinc/86/34/12/928863412.db2.gz OWQPMFFFUSVHRD-MQYQWHSLSA-N 1 2 296.798 1.499 20 30 CDEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001109266188 928863422 /nfs/dbraw/zinc/86/34/22/928863422.db2.gz OWQPMFFFUSVHRD-MQYQWHSLSA-N 1 2 296.798 1.499 20 30 CDEDLO Cc1nc(NCCCN(C)C(=O)C#CC2CC2)cc[nH+]1 ZINC001109433870 928936001 /nfs/dbraw/zinc/93/60/01/928936001.db2.gz IKOGBQCTRZSZSM-UHFFFAOYSA-N 1 2 272.352 1.459 20 30 CDEDLO N#C[C@@H]1C[C@H](F)CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001151971619 937323140 /nfs/dbraw/zinc/32/31/40/937323140.db2.gz LMXIZQHOKZVOOH-UWVGGRQHSA-N 1 2 258.256 1.639 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccccc1C ZINC000884056749 930419208 /nfs/dbraw/zinc/41/92/08/930419208.db2.gz IYTMOOURKDTLGQ-ZDUSSCGKSA-N 1 2 276.336 1.058 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[C@@H](C)C1 ZINC000884102653 930442676 /nfs/dbraw/zinc/44/26/76/930442676.db2.gz JFCKYYMJOFTVIM-AGIUHOORSA-N 1 2 282.384 1.376 20 30 CDEDLO C=CCC1(O)CC[NH+](Cn2cccnc2=S)CC1 ZINC000884478740 930578575 /nfs/dbraw/zinc/57/85/75/930578575.db2.gz KTOQTVXOOCECDD-UHFFFAOYSA-N 1 2 265.382 1.973 20 30 CDEDLO CCCCCCCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001116058810 937428860 /nfs/dbraw/zinc/42/88/60/937428860.db2.gz XTVDZICNIILHNE-CYBMUJFWSA-N 1 2 283.416 1.413 20 30 CDEDLO CCCCCCCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001116058810 937428864 /nfs/dbraw/zinc/42/88/64/937428864.db2.gz XTVDZICNIILHNE-CYBMUJFWSA-N 1 2 283.416 1.413 20 30 CDEDLO CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001153470648 937447541 /nfs/dbraw/zinc/44/75/41/937447541.db2.gz ARSOZPFAIPKOJL-NXEZZACHSA-N 1 2 282.281 1.737 20 30 CDEDLO CC#CC[N@H+](CC)[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001153470648 937447543 /nfs/dbraw/zinc/44/75/43/937447543.db2.gz ARSOZPFAIPKOJL-NXEZZACHSA-N 1 2 282.281 1.737 20 30 CDEDLO CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001153470648 937447545 /nfs/dbraw/zinc/44/75/45/937447545.db2.gz ARSOZPFAIPKOJL-NXEZZACHSA-N 1 2 282.281 1.737 20 30 CDEDLO CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001153470648 937447547 /nfs/dbraw/zinc/44/75/47/937447547.db2.gz ARSOZPFAIPKOJL-NXEZZACHSA-N 1 2 282.281 1.737 20 30 CDEDLO COC(C)(C)CNC(=O)[C@@H]1CC12CC[NH+](CCC#N)CC2 ZINC001274032718 931132385 /nfs/dbraw/zinc/13/23/85/931132385.db2.gz VIRVUIOICMYFTK-ZDUSSCGKSA-N 1 2 293.411 1.543 20 30 CDEDLO C#CC1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000844046759 931532863 /nfs/dbraw/zinc/53/28/63/931532863.db2.gz GVHXFAOMXWAITH-MRXNPFEDSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CC1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000844046759 931532867 /nfs/dbraw/zinc/53/28/67/931532867.db2.gz GVHXFAOMXWAITH-MRXNPFEDSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCN1CC[C@@]2(CCN(c3cccc[nH+]3)C2)C1=O ZINC001274739299 931563613 /nfs/dbraw/zinc/56/36/13/931563613.db2.gz FIBAEPRQRRKRBQ-HNNXBMFYSA-N 1 2 255.321 1.144 20 30 CDEDLO C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C(F)C(F)(F)F ZINC001275004336 931629855 /nfs/dbraw/zinc/62/98/55/931629855.db2.gz VXWWXPYAOPGILW-UWVGGRQHSA-N 1 2 280.265 1.491 20 30 CDEDLO C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](F)C(F)(F)F ZINC001275004336 931629859 /nfs/dbraw/zinc/62/98/59/931629859.db2.gz VXWWXPYAOPGILW-UWVGGRQHSA-N 1 2 280.265 1.491 20 30 CDEDLO C=C(C(=O)NCCOc1cc[nH+]cc1)C(F)(F)F ZINC001144215959 931703885 /nfs/dbraw/zinc/70/38/85/931703885.db2.gz KUDUOBUEXHMBBZ-UHFFFAOYSA-N 1 2 260.215 1.695 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171365369 932875094 /nfs/dbraw/zinc/87/50/94/932875094.db2.gz IRHDXRDRBRKKSP-STQMWFEESA-N 1 2 277.318 1.619 20 30 CDEDLO C=CC1CC[NH+](Cn2c3cnccc3n(C)c2=O)CC1 ZINC000159253156 934320808 /nfs/dbraw/zinc/32/08/08/934320808.db2.gz NRBOOTUKBOKEKV-UHFFFAOYSA-N 1 2 272.352 1.591 20 30 CDEDLO C=C[C@H](O)C[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC001253584724 935265670 /nfs/dbraw/zinc/26/56/70/935265670.db2.gz QWNYSAVGHFWBIM-NSHDSACASA-N 1 2 266.366 1.053 20 30 CDEDLO C=CC[N@H+]1CC[C@@H](NC(=O)c2snnc2C(C)C)C1 ZINC001015888602 935591399 /nfs/dbraw/zinc/59/13/99/935591399.db2.gz FKPIZUSZAKPZAO-SNVBAGLBSA-N 1 2 280.397 1.652 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)c2snnc2C(C)C)C1 ZINC001015888602 935591402 /nfs/dbraw/zinc/59/14/02/935591402.db2.gz FKPIZUSZAKPZAO-SNVBAGLBSA-N 1 2 280.397 1.652 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(C3CCCC3)no2)C1 ZINC001016287326 935609277 /nfs/dbraw/zinc/60/92/77/935609277.db2.gz QXZUASNAIHKMAV-CYBMUJFWSA-N 1 2 287.363 1.770 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C3CCCC3)no2)C1 ZINC001016287326 935609282 /nfs/dbraw/zinc/60/92/82/935609282.db2.gz QXZUASNAIHKMAV-CYBMUJFWSA-N 1 2 287.363 1.770 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C\c1ccco1 ZINC001017309113 935634393 /nfs/dbraw/zinc/63/43/93/935634393.db2.gz BXTWIHHPZPAOPU-MYNJGTHASA-N 1 2 270.332 1.601 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C\c1ccco1 ZINC001017309113 935634398 /nfs/dbraw/zinc/63/43/98/935634398.db2.gz BXTWIHHPZPAOPU-MYNJGTHASA-N 1 2 270.332 1.601 20 30 CDEDLO C#CCCS(=O)(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000279154229 935706682 /nfs/dbraw/zinc/70/66/82/935706682.db2.gz BBSADXQGXPRSOJ-UHFFFAOYSA-N 1 2 298.433 1.049 20 30 CDEDLO C#CCCS(=O)(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000279154229 935706686 /nfs/dbraw/zinc/70/66/86/935706686.db2.gz BBSADXQGXPRSOJ-UHFFFAOYSA-N 1 2 298.433 1.049 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCO[C@@H](C)C2)C1 ZINC001044095322 935850985 /nfs/dbraw/zinc/85/09/85/935850985.db2.gz FQPDHPSPOHQLCN-STQMWFEESA-N 1 2 266.385 1.520 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccon1 ZINC001049373828 936141263 /nfs/dbraw/zinc/14/12/63/936141263.db2.gz VQXCOCKRAKQNGV-BNOWGMLFSA-N 1 2 288.351 1.400 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccon1 ZINC001049373828 936141266 /nfs/dbraw/zinc/14/12/66/936141266.db2.gz VQXCOCKRAKQNGV-BNOWGMLFSA-N 1 2 288.351 1.400 20 30 CDEDLO Cc1nc(N2CCC3(C[C@H]3NC(=O)[C@H](C)C#N)CC2)cc[nH+]1 ZINC001096513910 936141463 /nfs/dbraw/zinc/14/14/63/936141463.db2.gz VTNPLHLGEVVNAX-DGCLKSJQSA-N 1 2 299.378 1.420 20 30 CDEDLO COc1ncnc(OC)c1CNc1cc(CC#N)cc[nH+]1 ZINC001156842314 938425047 /nfs/dbraw/zinc/42/50/47/938425047.db2.gz SNRVZJFMOVMESC-UHFFFAOYSA-N 1 2 285.307 1.567 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2[nH]nc3cc(C#N)ccc32)CC1 ZINC001156883149 938428434 /nfs/dbraw/zinc/42/84/34/938428434.db2.gz JIGUELAAKQSEGJ-UHFFFAOYSA-N 1 2 295.346 1.378 20 30 CDEDLO C=C(C)CCC(=O)NCCC[NH2+]Cc1noc(C2CC2)n1 ZINC001159040454 938695271 /nfs/dbraw/zinc/69/52/71/938695271.db2.gz OFBNZHXWDFAIDY-UHFFFAOYSA-N 1 2 292.383 1.899 20 30 CDEDLO Cc1nc(-n2cncn2)cc(NCC#Cc2ccccc2)[nH+]1 ZINC001159376015 938724559 /nfs/dbraw/zinc/72/45/59/938724559.db2.gz RUJOCWUXRCRLIN-UHFFFAOYSA-N 1 2 290.330 1.829 20 30 CDEDLO Cc1c[nH+]c(NCCc2nncs2)c(/C=N/O)c1 ZINC001161732297 938927467 /nfs/dbraw/zinc/92/74/67/938927467.db2.gz SZLOSKUTIVHUMB-GIDUJCDVSA-N 1 2 263.326 1.704 20 30 CDEDLO Cc1c(F)cc[nH+]c1N[C@@H](CC(C)C)C(=O)NO ZINC001163418049 939266408 /nfs/dbraw/zinc/26/64/08/939266408.db2.gz CWOWWESAWQTBNX-JTQLQIEISA-N 1 2 255.293 1.861 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(N3CCOC[C@@H](O)C3)c2c1 ZINC001164506892 939480796 /nfs/dbraw/zinc/48/07/96/939480796.db2.gz IKCCGRFGXACPSM-ZDUSSCGKSA-N 1 2 269.304 1.304 20 30 CDEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ncc[nH]1)C2 ZINC001203974731 939717295 /nfs/dbraw/zinc/71/72/95/939717295.db2.gz KTAUZGULILKXMJ-UKRRQHHQSA-N 1 2 277.368 1.736 20 30 CDEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ncc[nH]1)C2 ZINC001203974731 939717297 /nfs/dbraw/zinc/71/72/97/939717297.db2.gz KTAUZGULILKXMJ-UKRRQHHQSA-N 1 2 277.368 1.736 20 30 CDEDLO Cn1cc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)cc1C#N ZINC001207106439 940150213 /nfs/dbraw/zinc/15/02/13/940150213.db2.gz LIBOCWMDZCORJX-LBPRGKRZSA-N 1 2 262.332 1.125 20 30 CDEDLO Cn1cc(CN2CC([N@H+]3CC[C@H](F)C3)C2)cc1C#N ZINC001207106439 940150214 /nfs/dbraw/zinc/15/02/14/940150214.db2.gz LIBOCWMDZCORJX-LBPRGKRZSA-N 1 2 262.332 1.125 20 30 CDEDLO C=CCN(CC[N@@H+]1C[C@@H]2C[C@H]1CO2)C(=O)OC(C)(C)C ZINC001207206741 940167000 /nfs/dbraw/zinc/16/70/00/940167000.db2.gz ZBZJADGJXJOHFA-STQMWFEESA-N 1 2 282.384 1.883 20 30 CDEDLO C=CCN(CC[N@H+]1C[C@@H]2C[C@H]1CO2)C(=O)OC(C)(C)C ZINC001207206741 940167003 /nfs/dbraw/zinc/16/70/03/940167003.db2.gz ZBZJADGJXJOHFA-STQMWFEESA-N 1 2 282.384 1.883 20 30 CDEDLO C=CC[NH+]1CCN(C[C@H]2COC3(CCCCC3)O2)CC1 ZINC001208638771 940363435 /nfs/dbraw/zinc/36/34/35/940363435.db2.gz IHBRWISRXQCFQY-HNNXBMFYSA-N 1 2 280.412 1.866 20 30 CDEDLO C#CC[NH+]1CCN(C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 ZINC001209466291 940593295 /nfs/dbraw/zinc/59/32/95/940593295.db2.gz KXCLJIGPTWWWSN-CQSZACIVSA-N 1 2 295.427 1.541 20 30 CDEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1cnccn1)C2 ZINC001209781312 940640947 /nfs/dbraw/zinc/64/09/47/940640947.db2.gz ALBHHRSVOMLTQK-UHFFFAOYSA-N 1 2 250.305 1.907 20 30 CDEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1cnccn1)C2 ZINC001209781312 940640949 /nfs/dbraw/zinc/64/09/49/940640949.db2.gz ALBHHRSVOMLTQK-UHFFFAOYSA-N 1 2 250.305 1.907 20 30 CDEDLO N#Cc1ncc(Nc2ccccc2C[NH+]2CCOCC2)cn1 ZINC001209925994 940652225 /nfs/dbraw/zinc/65/22/25/940652225.db2.gz LDIBGDOPVNEEAF-UHFFFAOYSA-N 1 2 295.346 1.924 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1-c1ccc(O)c(C#N)c1 ZINC001210528017 940696640 /nfs/dbraw/zinc/69/66/40/940696640.db2.gz ROIWREPDLQVYDE-UHFFFAOYSA-N 1 2 272.264 1.208 20 30 CDEDLO COc1ncc([NH+]=C(NO)c2ccccc2N)cc1O ZINC001216210588 940928459 /nfs/dbraw/zinc/92/84/59/940928459.db2.gz OFWRICSBHJQAGA-UHFFFAOYSA-N 1 2 274.280 1.435 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)C(C)C)[C@H]2C1 ZINC001217488348 940995941 /nfs/dbraw/zinc/99/59/41/940995941.db2.gz VOIQSAXGSSTIOG-QLFBSQMISA-N 1 2 278.396 1.213 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)C(C)C)[C@H]2C1 ZINC001217488348 940995947 /nfs/dbraw/zinc/99/59/47/940995947.db2.gz VOIQSAXGSSTIOG-QLFBSQMISA-N 1 2 278.396 1.213 20 30 CDEDLO N#Cc1ccc2nc(=O)[nH]c(O[C@H]3CCC[NH2+]C3)c2c1 ZINC001218286644 941052236 /nfs/dbraw/zinc/05/22/36/941052236.db2.gz HZQDMXQAZKNZSQ-JTQLQIEISA-N 1 2 270.292 1.338 20 30 CDEDLO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc(C#N)c2)CC[S@@](=O)C1 ZINC001473385039 970788110 /nfs/dbraw/zinc/78/81/10/970788110.db2.gz NPCIIJCIKSXGMX-ASNKJTAVSA-N 1 2 292.404 1.292 20 30 CDEDLO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc(C#N)c2)CC[S@@](=O)C1 ZINC001473385039 970788116 /nfs/dbraw/zinc/78/81/16/970788116.db2.gz NPCIIJCIKSXGMX-ASNKJTAVSA-N 1 2 292.404 1.292 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)CC(C)C)[C@H]2C1 ZINC001218859716 941280532 /nfs/dbraw/zinc/28/05/32/941280532.db2.gz YWUCCQCTZBLRFL-QLFBSQMISA-N 1 2 278.396 1.213 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)CC(C)C)[C@H]2C1 ZINC001218859716 941280534 /nfs/dbraw/zinc/28/05/34/941280534.db2.gz YWUCCQCTZBLRFL-QLFBSQMISA-N 1 2 278.396 1.213 20 30 CDEDLO N#Cc1ccc(NC(=O)c2ccc([C@H]([NH3+])CN)cc2)c(O)c1 ZINC001218992108 941298461 /nfs/dbraw/zinc/29/84/61/941298461.db2.gz FVCLRYXQRYLJCI-CYBMUJFWSA-N 1 2 296.330 1.475 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](F)CC)C[C@@H]1O ZINC001220141497 941415645 /nfs/dbraw/zinc/41/56/45/941415645.db2.gz VGHAGLPDZYCEPO-TUAOUCFPSA-N 1 2 272.364 1.108 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](F)CC)C[C@@H]1O ZINC001220141497 941415647 /nfs/dbraw/zinc/41/56/47/941415647.db2.gz VGHAGLPDZYCEPO-TUAOUCFPSA-N 1 2 272.364 1.108 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@](C)(CC)CCCCC)[C@@H](O)C1 ZINC001221121176 941498378 /nfs/dbraw/zinc/49/83/78/941498378.db2.gz VNFPMEXWAHRHMK-VYDXJSESSA-N 1 2 294.439 1.778 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@](C)(CC)CCCCC)[C@@H](O)C1 ZINC001221121176 941498380 /nfs/dbraw/zinc/49/83/80/941498380.db2.gz VNFPMEXWAHRHMK-VYDXJSESSA-N 1 2 294.439 1.778 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](OCC#C[Si](C)(C)C)C[N@@H+]1C ZINC001224617928 941776520 /nfs/dbraw/zinc/77/65/20/941776520.db2.gz YTUOYMDTNFSUTK-NEPJUHHUSA-N 1 2 269.417 1.130 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](OCC#C[Si](C)(C)C)C[N@H+]1C ZINC001224617928 941776523 /nfs/dbraw/zinc/77/65/23/941776523.db2.gz YTUOYMDTNFSUTK-NEPJUHHUSA-N 1 2 269.417 1.130 20 30 CDEDLO COc1cccc(OC)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001225339746 941845498 /nfs/dbraw/zinc/84/54/98/941845498.db2.gz QQXFVMZLQDLJHZ-RBRDRRMGSA-N 1 2 291.347 1.695 20 30 CDEDLO COc1cccc(OC)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001225339746 941845501 /nfs/dbraw/zinc/84/55/01/941845501.db2.gz QQXFVMZLQDLJHZ-RBRDRRMGSA-N 1 2 291.347 1.695 20 30 CDEDLO Cc1cc(C#N)c(OC[C@H]2C[N@H+](C)CCO2)nc1C ZINC001225531519 941875169 /nfs/dbraw/zinc/87/51/69/941875169.db2.gz RZVIHFGIUGDFSY-CYBMUJFWSA-N 1 2 261.325 1.280 20 30 CDEDLO Cc1cc(C#N)c(OC[C@H]2C[N@@H+](C)CCO2)nc1C ZINC001225531519 941875174 /nfs/dbraw/zinc/87/51/74/941875174.db2.gz RZVIHFGIUGDFSY-CYBMUJFWSA-N 1 2 261.325 1.280 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc([N+](=O)[O-])c(F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225915090 941928341 /nfs/dbraw/zinc/92/83/41/941928341.db2.gz GIHDLFKPVUZEOS-UBYSCORNSA-N 1 2 294.282 1.725 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc([N+](=O)[O-])c(F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225915090 941928342 /nfs/dbraw/zinc/92/83/42/941928342.db2.gz GIHDLFKPVUZEOS-UBYSCORNSA-N 1 2 294.282 1.725 20 30 CDEDLO C#CC(C#C)Oc1n[nH]c2c1CC[N@H+](Cc1ccccc1)C2 ZINC001226706949 942053646 /nfs/dbraw/zinc/05/36/46/942053646.db2.gz RJGSEVGXNVWNOO-UHFFFAOYSA-N 1 2 291.354 1.982 20 30 CDEDLO C#CC(C#C)Oc1n[nH]c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001226706949 942053649 /nfs/dbraw/zinc/05/36/49/942053649.db2.gz RJGSEVGXNVWNOO-UHFFFAOYSA-N 1 2 291.354 1.982 20 30 CDEDLO Cc1cc(O[C@H](C)C[NH+]2CCOCC2)cnc1C#N ZINC001227345808 942168613 /nfs/dbraw/zinc/16/86/13/942168613.db2.gz FESBHSXSJKNGGS-GFCCVEGCSA-N 1 2 261.325 1.361 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCC ZINC001230634423 942663456 /nfs/dbraw/zinc/66/34/56/942663456.db2.gz XAFSCEAZVDESRD-OLZOCXBDSA-N 1 2 281.400 1.010 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCC ZINC001230634423 942663460 /nfs/dbraw/zinc/66/34/60/942663460.db2.gz XAFSCEAZVDESRD-OLZOCXBDSA-N 1 2 281.400 1.010 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1C ZINC001230702963 942679210 /nfs/dbraw/zinc/67/92/10/942679210.db2.gz QUPBWXVYLQAMFL-AWEZNQCLSA-N 1 2 290.363 1.384 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1C ZINC001230702963 942679215 /nfs/dbraw/zinc/67/92/15/942679215.db2.gz QUPBWXVYLQAMFL-AWEZNQCLSA-N 1 2 290.363 1.384 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCC(C)C ZINC001230721381 942684771 /nfs/dbraw/zinc/68/47/71/942684771.db2.gz OLEDMYBEZWBPSI-CQSZACIVSA-N 1 2 295.427 1.258 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC(C)C ZINC001230721381 942684774 /nfs/dbraw/zinc/68/47/74/942684774.db2.gz OLEDMYBEZWBPSI-CQSZACIVSA-N 1 2 295.427 1.258 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001231095432 942783914 /nfs/dbraw/zinc/78/39/14/942783914.db2.gz PYMXVSHYLQJHGX-OLZOCXBDSA-N 1 2 272.364 1.470 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001231095432 942783918 /nfs/dbraw/zinc/78/39/18/942783918.db2.gz PYMXVSHYLQJHGX-OLZOCXBDSA-N 1 2 272.364 1.470 20 30 CDEDLO C#Cc1cccc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC001231661875 942964890 /nfs/dbraw/zinc/96/48/90/942964890.db2.gz ZSQGAUJUJUQTMW-OAHLLOKOSA-N 1 2 277.389 1.677 20 30 CDEDLO C#Cc1cccc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC001231661875 942964896 /nfs/dbraw/zinc/96/48/96/942964896.db2.gz ZSQGAUJUJUQTMW-OAHLLOKOSA-N 1 2 277.389 1.677 20 30 CDEDLO C=CCOC(=O)N1CCN(Cc2c[nH+]c(C)[nH]2)CC1 ZINC001232466069 943286814 /nfs/dbraw/zinc/28/68/14/943286814.db2.gz UINVQTXNSKSTLG-UHFFFAOYSA-N 1 2 264.329 1.158 20 30 CDEDLO C=CCOC(=O)N1CCN(Cc2c[nH]c(C)[nH+]2)CC1 ZINC001232466069 943286818 /nfs/dbraw/zinc/28/68/18/943286818.db2.gz UINVQTXNSKSTLG-UHFFFAOYSA-N 1 2 264.329 1.158 20 30 CDEDLO CC[N@H+](CCC(=O)OC)Cc1cc(C#N)ccc1O ZINC001232678428 943358389 /nfs/dbraw/zinc/35/83/89/943358389.db2.gz YUJDVQIECBTYHT-UHFFFAOYSA-N 1 2 262.309 1.649 20 30 CDEDLO CC[N@@H+](CCC(=O)OC)Cc1cc(C#N)ccc1O ZINC001232678428 943358397 /nfs/dbraw/zinc/35/83/97/943358397.db2.gz YUJDVQIECBTYHT-UHFFFAOYSA-N 1 2 262.309 1.649 20 30 CDEDLO CC(=O)N(C)C1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232677214 943360243 /nfs/dbraw/zinc/36/02/43/943360243.db2.gz CQQSCRTULQWYSX-UHFFFAOYSA-N 1 2 287.363 1.707 20 30 CDEDLO C[C@H](c1cnccn1)[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234179165 943766936 /nfs/dbraw/zinc/76/69/36/943766936.db2.gz SYVZZNMQCDJCTD-HIFRSBDPSA-N 1 2 298.390 1.484 20 30 CDEDLO C[C@H](c1cnccn1)[N@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234179165 943766941 /nfs/dbraw/zinc/76/69/41/943766941.db2.gz SYVZZNMQCDJCTD-HIFRSBDPSA-N 1 2 298.390 1.484 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccnn1C ZINC001234604128 943911685 /nfs/dbraw/zinc/91/16/85/943911685.db2.gz LKAYZKGZXGDTDC-HNNXBMFYSA-N 1 2 290.411 1.809 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccnn1C ZINC001234604128 943911690 /nfs/dbraw/zinc/91/16/90/943911690.db2.gz LKAYZKGZXGDTDC-HNNXBMFYSA-N 1 2 290.411 1.809 20 30 CDEDLO C=CC[C@H](CC)NC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001263726963 943952707 /nfs/dbraw/zinc/95/27/07/943952707.db2.gz YUKOAAYGXPUSOL-KGLIPLIRSA-N 1 2 282.432 1.276 20 30 CDEDLO CC(C)NC(=O)N1CCC12C[NH+](CCCC#N)C2 ZINC001277945073 944154338 /nfs/dbraw/zinc/15/43/38/944154338.db2.gz LHVODACRCGFHGD-UHFFFAOYSA-N 1 2 250.346 1.168 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1nccc(C)n1 ZINC001235480619 944169615 /nfs/dbraw/zinc/16/96/15/944169615.db2.gz OAORPGJUPPXBIG-UHFFFAOYSA-N 1 2 276.384 1.689 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1nccc(C)n1 ZINC001235480619 944169619 /nfs/dbraw/zinc/16/96/19/944169619.db2.gz OAORPGJUPPXBIG-UHFFFAOYSA-N 1 2 276.384 1.689 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccnc(OC)c2Cl)CC1 ZINC001235840682 944293557 /nfs/dbraw/zinc/29/35/57/944293557.db2.gz XHADCHGMQIARBI-UHFFFAOYSA-N 1 2 279.771 1.494 20 30 CDEDLO N#Cc1ccc2nc(C[N@H+]3[C@@H]4CC[C@H]3CC(=O)C4)cn2c1 ZINC001237604190 944875284 /nfs/dbraw/zinc/87/52/84/944875284.db2.gz KWBJIMXAOPWRGS-OKILXGFUSA-N 1 2 280.331 1.902 20 30 CDEDLO N#Cc1ccc2nc(C[N@@H+]3[C@@H]4CC[C@H]3CC(=O)C4)cn2c1 ZINC001237604190 944875286 /nfs/dbraw/zinc/87/52/86/944875286.db2.gz KWBJIMXAOPWRGS-OKILXGFUSA-N 1 2 280.331 1.902 20 30 CDEDLO C=CCS(=O)(=O)NCc1c[nH+]cn1CC1CCC1 ZINC001259935760 945724221 /nfs/dbraw/zinc/72/42/21/945724221.db2.gz STXSGYFYVAXEOR-UHFFFAOYSA-N 1 2 269.370 1.289 20 30 CDEDLO C#C[C@H](CC)NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001261660913 946219147 /nfs/dbraw/zinc/21/91/47/946219147.db2.gz ZLDPYEGAHGBPTH-ZIAGYGMSSA-N 1 2 288.395 1.796 20 30 CDEDLO C#Cc1ccc(-c2[nH+]ncc3c2OCCN3C)cc1 ZINC001242294205 946656691 /nfs/dbraw/zinc/65/66/91/946656691.db2.gz YXECKDBRYICMOB-UHFFFAOYSA-N 1 2 251.289 1.954 20 30 CDEDLO COC(=O)c1c[nH]c2nc(-c3ccc(C#N)cc3N)[nH+]cc21 ZINC001244081120 947304086 /nfs/dbraw/zinc/30/40/86/947304086.db2.gz BHXMOJCVUBYWDQ-UHFFFAOYSA-N 1 2 293.286 1.817 20 30 CDEDLO C[NH+]1CCC(N2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001256203917 948236633 /nfs/dbraw/zinc/23/66/33/948236633.db2.gz OIRIVSJFHYQBDX-LBPRGKRZSA-N 1 2 252.383 1.355 20 30 CDEDLO CS(=O)(=O)N1CCC([NH2+]C2(C#N)CCCCC2)CC1 ZINC001257227044 948555431 /nfs/dbraw/zinc/55/54/31/948555431.db2.gz OGBQHSHXBJDVHU-UHFFFAOYSA-N 1 2 285.413 1.226 20 30 CDEDLO C=C1C[C@@H]2CC([N@H+]3CCOC[C@H]3C(=O)OC)C[C@H](C1)C2 ZINC001257895668 948655489 /nfs/dbraw/zinc/65/54/89/948655489.db2.gz XIZNMYNFOLORFV-IXXDHKBRSA-N 1 2 279.380 1.995 20 30 CDEDLO C=C1C[C@@H]2CC([N@@H+]3CCOC[C@H]3C(=O)OC)C[C@H](C1)C2 ZINC001257895668 948655493 /nfs/dbraw/zinc/65/54/93/948655493.db2.gz XIZNMYNFOLORFV-IXXDHKBRSA-N 1 2 279.380 1.995 20 30 CDEDLO C=CCCNC(=S)N(CC)CCn1cc[nH+]c1 ZINC001247636458 948694957 /nfs/dbraw/zinc/69/49/57/948694957.db2.gz QRLIWQUESFDYJZ-UHFFFAOYSA-N 1 2 252.387 1.656 20 30 CDEDLO C=CC[C@H]([NH2+][C@@H](C)CCC(=O)OCC)C(=O)OC ZINC001258479778 948870758 /nfs/dbraw/zinc/87/07/58/948870758.db2.gz LSIICKFWJJQRND-QWRGUYRKSA-N 1 2 257.330 1.426 20 30 CDEDLO CCc1cc(C#N)ccc1C[NH+]1CCN(C(N)=O)CC1 ZINC001248751252 949119409 /nfs/dbraw/zinc/11/94/09/949119409.db2.gz PKOJDRYIPZXLCK-UHFFFAOYSA-N 1 2 272.352 1.317 20 30 CDEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1nonc1C)C2 ZINC001248858404 949224239 /nfs/dbraw/zinc/22/42/39/949224239.db2.gz NKBZHIGGMVGNPM-ZFWWWQNUSA-N 1 2 293.367 1.704 20 30 CDEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1nonc1C)C2 ZINC001248858404 949224259 /nfs/dbraw/zinc/22/42/59/949224259.db2.gz NKBZHIGGMVGNPM-ZFWWWQNUSA-N 1 2 293.367 1.704 20 30 CDEDLO COC(=O)C1C[NH+](Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001249426749 949591112 /nfs/dbraw/zinc/59/11/12/949591112.db2.gz GCYOBJPLJVONMW-UHFFFAOYSA-N 1 2 269.304 1.644 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c1F ZINC001249671777 949745907 /nfs/dbraw/zinc/74/59/07/949745907.db2.gz DZYOBJRBGGHSNY-NWDGAFQWSA-N 1 2 252.264 1.602 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC[C@H](F)[C@H](O)C2)c1F ZINC001249671777 949745922 /nfs/dbraw/zinc/74/59/22/949745922.db2.gz DZYOBJRBGGHSNY-NWDGAFQWSA-N 1 2 252.264 1.602 20 30 CDEDLO CCCCCCCC[C@@H](O)C[N@@H+]1CCN(C)C(=O)C1 ZINC001252122637 951153424 /nfs/dbraw/zinc/15/34/24/951153424.db2.gz YNNLHSPPUWBULN-CQSZACIVSA-N 1 2 270.417 1.872 20 30 CDEDLO CCCCCCCC[C@@H](O)C[N@H+]1CCN(C)C(=O)C1 ZINC001252122637 951153429 /nfs/dbraw/zinc/15/34/29/951153429.db2.gz YNNLHSPPUWBULN-CQSZACIVSA-N 1 2 270.417 1.872 20 30 CDEDLO COc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C#N)C1 ZINC001252889072 951697238 /nfs/dbraw/zinc/69/72/38/951697238.db2.gz TVDBYVXWNHYLTK-CHWSQXEVSA-N 1 2 276.336 1.280 20 30 CDEDLO COc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](C#N)C1 ZINC001252889072 951697244 /nfs/dbraw/zinc/69/72/44/951697244.db2.gz TVDBYVXWNHYLTK-CHWSQXEVSA-N 1 2 276.336 1.280 20 30 CDEDLO CCOCC(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001480838414 971904770 /nfs/dbraw/zinc/90/47/70/971904770.db2.gz MBIOSNSBDZVKJH-UHFFFAOYSA-N 1 2 293.342 1.282 20 30 CDEDLO CCOCC(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001480838414 971904773 /nfs/dbraw/zinc/90/47/73/971904773.db2.gz MBIOSNSBDZVKJH-UHFFFAOYSA-N 1 2 293.342 1.282 20 30 CDEDLO CC(C)(C#N)C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC001363608083 953532572 /nfs/dbraw/zinc/53/25/72/953532572.db2.gz NAUJMVPGSUMECL-UHFFFAOYSA-N 1 2 272.395 1.791 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1c(C)ncn1C ZINC001492290943 955812965 /nfs/dbraw/zinc/81/29/65/955812965.db2.gz ADHBYMXPKUCRIK-UHFFFAOYSA-N 1 2 270.764 1.143 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1c(C)ncn1C ZINC001492290943 955812977 /nfs/dbraw/zinc/81/29/77/955812977.db2.gz ADHBYMXPKUCRIK-UHFFFAOYSA-N 1 2 270.764 1.143 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C(C)(C)F)C1 ZINC001329953875 956201577 /nfs/dbraw/zinc/20/15/77/956201577.db2.gz QKDGWJOYJOPGLG-SECBINFHSA-N 1 2 262.756 1.924 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2(COC)CC2)C1 ZINC001422721176 956288523 /nfs/dbraw/zinc/28/85/23/956288523.db2.gz BJYZSVNXBKPNCN-NSHDSACASA-N 1 2 286.803 1.602 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H](CC#N)C1 ZINC001329194937 956955185 /nfs/dbraw/zinc/95/51/85/956955185.db2.gz JBERSQPETAUQTI-RYUDHWBXSA-N 1 2 260.341 1.741 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](CC#N)C1 ZINC001329194937 956955195 /nfs/dbraw/zinc/95/51/95/956955195.db2.gz JBERSQPETAUQTI-RYUDHWBXSA-N 1 2 260.341 1.741 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1c(C)cnn1C)C1CC1 ZINC001366745792 957162324 /nfs/dbraw/zinc/16/23/24/957162324.db2.gz OTGVSROSBYXPFQ-UHFFFAOYSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1c(C)cnn1C)C1CC1 ZINC001366745792 957162328 /nfs/dbraw/zinc/16/23/28/957162328.db2.gz OTGVSROSBYXPFQ-UHFFFAOYSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2cncs2)C1 ZINC001425222224 957493716 /nfs/dbraw/zinc/49/37/16/957493716.db2.gz OXRDJHIELGSBHA-SNVBAGLBSA-N 1 2 299.827 1.875 20 30 CDEDLO C=C(Br)C[NH+]1CCC(C(=O)NOC)CC1 ZINC001333486822 958373209 /nfs/dbraw/zinc/37/32/09/958373209.db2.gz ALHLWIKTULMARS-UHFFFAOYSA-N 1 2 277.162 1.285 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNc1cccc(CC#N)n1 ZINC001324086358 961159259 /nfs/dbraw/zinc/15/92/59/961159259.db2.gz VEGSFNYCFMUCMK-GFCCVEGCSA-N 1 2 260.341 1.280 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNc1cccc(CC#N)n1 ZINC001324086358 961159278 /nfs/dbraw/zinc/15/92/78/961159278.db2.gz VEGSFNYCFMUCMK-GFCCVEGCSA-N 1 2 260.341 1.280 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001434797309 961927957 /nfs/dbraw/zinc/92/79/57/961927957.db2.gz QZBJTHIOZBLEOQ-LLVKDONJSA-N 1 2 275.356 1.389 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(C3CC=CC3)n2CC=C)CC1 ZINC001339618090 962451393 /nfs/dbraw/zinc/45/13/93/962451393.db2.gz ZWLQLAHEVRJMIO-UHFFFAOYSA-N 1 2 297.406 1.653 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1c(C)ncn1C ZINC001420398333 962859390 /nfs/dbraw/zinc/85/93/90/962859390.db2.gz RURNLYMVNSFFIM-UHFFFAOYSA-N 1 2 284.791 1.533 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1c(C)ncn1C ZINC001420398333 962859395 /nfs/dbraw/zinc/85/93/95/962859395.db2.gz RURNLYMVNSFFIM-UHFFFAOYSA-N 1 2 284.791 1.533 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cn(C)cn1 ZINC001420559526 963061359 /nfs/dbraw/zinc/06/13/59/963061359.db2.gz WAFZHTAHKMGIAB-SNVBAGLBSA-N 1 2 270.764 1.223 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cn(C)cn1 ZINC001420559526 963061368 /nfs/dbraw/zinc/06/13/68/963061368.db2.gz WAFZHTAHKMGIAB-SNVBAGLBSA-N 1 2 270.764 1.223 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1ncc(CC)o1 ZINC001437745577 963159078 /nfs/dbraw/zinc/15/90/78/963159078.db2.gz NFYIBUMJQYFLND-LBPRGKRZSA-N 1 2 292.383 1.725 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1ncc(CC)o1 ZINC001437745577 963159085 /nfs/dbraw/zinc/15/90/85/963159085.db2.gz NFYIBUMJQYFLND-LBPRGKRZSA-N 1 2 292.383 1.725 20 30 CDEDLO CCc1ccccc1CC[NH+]1CC(NC(=O)[C@@H](C)C#N)C1 ZINC001421021894 963419631 /nfs/dbraw/zinc/41/96/31/963419631.db2.gz BCHQXJAKNNFZNT-ZDUSSCGKSA-N 1 2 285.391 1.752 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCc2ccon2)C1 ZINC001421146609 963474423 /nfs/dbraw/zinc/47/44/23/963474423.db2.gz IRXOOGCARPGGPT-UHFFFAOYSA-N 1 2 283.759 1.408 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CC(C)(C)O)C1 ZINC001421334321 963557672 /nfs/dbraw/zinc/55/76/72/963557672.db2.gz HRZSIZGRCRBEIZ-LBPRGKRZSA-N 1 2 288.819 1.823 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CC(C)(C)O)C1 ZINC001421334321 963557677 /nfs/dbraw/zinc/55/76/77/963557677.db2.gz HRZSIZGRCRBEIZ-LBPRGKRZSA-N 1 2 288.819 1.823 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cscn1 ZINC001439303551 963712178 /nfs/dbraw/zinc/71/21/78/963712178.db2.gz JOMJOBPLMSWQTO-VIFPVBQESA-N 1 2 273.789 1.946 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cscn1 ZINC001439303551 963712201 /nfs/dbraw/zinc/71/22/01/963712201.db2.gz JOMJOBPLMSWQTO-VIFPVBQESA-N 1 2 273.789 1.946 20 30 CDEDLO C=C[C@H](CC)CC(=O)O[C@@H](COC)C[N@@H+]1CCO[C@H](C)C1 ZINC001343759713 964133263 /nfs/dbraw/zinc/13/32/63/964133263.db2.gz GGCFQZARNAWLFF-RBSFLKMASA-N 1 2 299.411 1.868 20 30 CDEDLO C=C[C@H](CC)CC(=O)O[C@@H](COC)C[N@H+]1CCO[C@H](C)C1 ZINC001343759713 964133271 /nfs/dbraw/zinc/13/32/71/964133271.db2.gz GGCFQZARNAWLFF-RBSFLKMASA-N 1 2 299.411 1.868 20 30 CDEDLO C=CCn1cnnc1SCC[N@@H+]1CCO[C@H](C)C1 ZINC001345055314 964556125 /nfs/dbraw/zinc/55/61/25/964556125.db2.gz HOLYEZVKGMEZBA-LLVKDONJSA-N 1 2 268.386 1.277 20 30 CDEDLO C=CCn1cnnc1SCC[N@H+]1CCO[C@H](C)C1 ZINC001345055314 964556140 /nfs/dbraw/zinc/55/61/40/964556140.db2.gz HOLYEZVKGMEZBA-LLVKDONJSA-N 1 2 268.386 1.277 20 30 CDEDLO C#CC1CCN(C(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)CC1 ZINC001345894478 964847266 /nfs/dbraw/zinc/84/72/66/964847266.db2.gz UZYGOGDJXLOKNJ-UHFFFAOYSA-N 1 2 299.374 1.186 20 30 CDEDLO CCCCCCCNC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001345977572 964878806 /nfs/dbraw/zinc/87/88/06/964878806.db2.gz DQZPQMFZZOJTFE-OAHLLOKOSA-N 1 2 298.475 1.892 20 30 CDEDLO C[C@H](C#N)C(=O)NC1C[NH+](Cc2cccc3c2CCOC3)C1 ZINC001443464359 965481517 /nfs/dbraw/zinc/48/15/17/965481517.db2.gz QOMLFEGPNFGEIZ-GFCCVEGCSA-N 1 2 299.374 1.219 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1c[nH]c(C)n1 ZINC001444957572 966025183 /nfs/dbraw/zinc/02/51/83/966025183.db2.gz QPUUPOBOCQCYET-UHFFFAOYSA-N 1 2 270.764 1.474 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1c[nH]c(C)n1 ZINC001444957572 966025190 /nfs/dbraw/zinc/02/51/90/966025190.db2.gz QPUUPOBOCQCYET-UHFFFAOYSA-N 1 2 270.764 1.474 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cccc(=O)n1C ZINC001445038979 966073714 /nfs/dbraw/zinc/07/37/14/966073714.db2.gz RPZRDTOYKRNNRP-UHFFFAOYSA-N 1 2 297.786 1.142 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cccc(=O)n1C ZINC001445038979 966073726 /nfs/dbraw/zinc/07/37/26/966073726.db2.gz RPZRDTOYKRNNRP-UHFFFAOYSA-N 1 2 297.786 1.142 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnc(C)cn1 ZINC001445679662 966277750 /nfs/dbraw/zinc/27/77/50/966277750.db2.gz PNIHLDRHWCXXEC-LLVKDONJSA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cnc(C)cn1 ZINC001445679662 966277760 /nfs/dbraw/zinc/27/77/60/966277760.db2.gz PNIHLDRHWCXXEC-LLVKDONJSA-N 1 2 282.775 1.588 20 30 CDEDLO C#C[C@@H](C)NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001350542549 966692204 /nfs/dbraw/zinc/69/22/04/966692204.db2.gz DZVHTPDGZNVRRG-OLZOCXBDSA-N 1 2 274.368 1.406 20 30 CDEDLO C=CCC[NH2+]C1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001100347799 968081047 /nfs/dbraw/zinc/08/10/47/968081047.db2.gz PAYVTGJYLFYSIF-UDNWOFFPSA-N 1 2 282.281 1.947 20 30 CDEDLO C=CCC[NH2+]C1CC(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001100347799 968081060 /nfs/dbraw/zinc/08/10/60/968081060.db2.gz PAYVTGJYLFYSIF-UDNWOFFPSA-N 1 2 282.281 1.947 20 30 CDEDLO C=CC[NH+]1CCN(C(=S)NC2CCCCC2)CC1 ZINC001200647685 968690801 /nfs/dbraw/zinc/69/08/01/968690801.db2.gz YUBLBRKBIRXVCN-UHFFFAOYSA-N 1 2 267.442 1.997 20 30 CDEDLO C=C[C@@H](C)ONC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001519436100 970084051 /nfs/dbraw/zinc/08/40/51/970084051.db2.gz JVTPTMRNBZOQLZ-LLVKDONJSA-N 1 2 278.356 1.815 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc(C#N)n2C)C1 ZINC001361405744 970177790 /nfs/dbraw/zinc/17/77/90/970177790.db2.gz UHJZQNXUWVQVDS-LLVKDONJSA-N 1 2 283.335 1.260 20 30 CDEDLO N#CCC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001471525121 970433893 /nfs/dbraw/zinc/43/38/93/970433893.db2.gz GSPPQRLXHSKBOA-ZDUSSCGKSA-N 1 2 254.293 1.654 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1[nH]c(C)nc1C ZINC001374535839 974005507 /nfs/dbraw/zinc/00/55/07/974005507.db2.gz XGOKLJSQPFBAPP-UHFFFAOYSA-N 1 2 284.791 1.783 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1[nH]c(C)nc1C ZINC001374535839 974005522 /nfs/dbraw/zinc/00/55/22/974005522.db2.gz XGOKLJSQPFBAPP-UHFFFAOYSA-N 1 2 284.791 1.783 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1cccnc1 ZINC001505898617 975031754 /nfs/dbraw/zinc/03/17/54/975031754.db2.gz BTSCDLSJDFJXNB-LBPRGKRZSA-N 1 2 281.787 1.813 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1cccnc1 ZINC001505898617 975031759 /nfs/dbraw/zinc/03/17/59/975031759.db2.gz BTSCDLSJDFJXNB-LBPRGKRZSA-N 1 2 281.787 1.813 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1cc[nH]n1 ZINC001402713905 976452599 /nfs/dbraw/zinc/45/25/99/976452599.db2.gz DSZCFPLLBQCEQX-CYBMUJFWSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)Cc1cc[nH]n1 ZINC001402713905 976452607 /nfs/dbraw/zinc/45/26/07/976452607.db2.gz DSZCFPLLBQCEQX-CYBMUJFWSA-N 1 2 296.802 1.675 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC1(O)C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001380581769 976464929 /nfs/dbraw/zinc/46/49/29/976464929.db2.gz PLPJCKLMRKBJNS-STQMWFEESA-N 1 2 287.363 1.070 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)c2occc2C)C1 ZINC001407338264 976644100 /nfs/dbraw/zinc/64/41/00/976644100.db2.gz ZUFILTTZQIWPND-AWEZNQCLSA-N 1 2 298.770 1.507 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)c2occc2C)C1 ZINC001407338264 976644106 /nfs/dbraw/zinc/64/41/06/976644106.db2.gz ZUFILTTZQIWPND-AWEZNQCLSA-N 1 2 298.770 1.507 20 30 CDEDLO C[N@H+](CCNC(=O)[C@H]1CC1(F)F)Cc1ccccc1C#N ZINC001403531662 977033165 /nfs/dbraw/zinc/03/31/65/977033165.db2.gz CFSFKSJQJVBAIB-CYBMUJFWSA-N 1 2 293.317 1.761 20 30 CDEDLO C[N@@H+](CCNC(=O)[C@H]1CC1(F)F)Cc1ccccc1C#N ZINC001403531662 977033173 /nfs/dbraw/zinc/03/31/73/977033173.db2.gz CFSFKSJQJVBAIB-CYBMUJFWSA-N 1 2 293.317 1.761 20 30 CDEDLO C=C[C@H](C(=O)[O-])[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC001588662515 983789973 /nfs/dbraw/zinc/78/99/73/983789973.db2.gz AYNOBPCXFNAAGP-CYBMUJFWSA-N 1 2 282.384 1.202 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nc(CCC)no1 ZINC001132569106 1163377083 /nfs/dbraw/zinc/37/70/83/1163377083.db2.gz KQSXDEMAZCRFFL-NWDGAFQWSA-N 1 2 294.399 1.686 20 30 CDEDLO N#Cc1cncc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000589585078 342509430 /nfs/dbraw/zinc/50/94/30/342509430.db2.gz NBDJOLKLBSAAOG-UHFFFAOYSA-N 1 2 299.315 1.402 20 30 CDEDLO C[N@H+](CC[C@@H]1CCS(=O)(=O)C1)CC(C)(C)C#N ZINC000590124117 342522266 /nfs/dbraw/zinc/52/22/66/342522266.db2.gz PZRISBVQZIKEIV-LLVKDONJSA-N 1 2 258.387 1.293 20 30 CDEDLO C[N@@H+](CC[C@@H]1CCS(=O)(=O)C1)CC(C)(C)C#N ZINC000590124117 342522267 /nfs/dbraw/zinc/52/22/67/342522267.db2.gz PZRISBVQZIKEIV-LLVKDONJSA-N 1 2 258.387 1.293 20 30 CDEDLO Cc1nc([C@H]2CCCC[N@@H+]2CCOCCC#N)no1 ZINC000590154716 342523165 /nfs/dbraw/zinc/52/31/65/342523165.db2.gz SWELBPUMSZQILZ-GFCCVEGCSA-N 1 2 264.329 1.835 20 30 CDEDLO Cc1nc([C@H]2CCCC[N@H+]2CCOCCC#N)no1 ZINC000590154716 342523166 /nfs/dbraw/zinc/52/31/66/342523166.db2.gz SWELBPUMSZQILZ-GFCCVEGCSA-N 1 2 264.329 1.835 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000590203742 342524704 /nfs/dbraw/zinc/52/47/04/342524704.db2.gz UCKXTDAHCPFMFK-JSGCOSHPSA-N 1 2 255.358 1.445 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000590203742 342524705 /nfs/dbraw/zinc/52/47/05/342524705.db2.gz UCKXTDAHCPFMFK-JSGCOSHPSA-N 1 2 255.358 1.445 20 30 CDEDLO CN(Cc1ccc(C#N)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000042897419 342000661 /nfs/dbraw/zinc/00/06/61/342000661.db2.gz NIQRJBHTYBMUIC-UHFFFAOYSA-N 1 2 297.362 1.986 20 30 CDEDLO C[C@H](NC(=O)NCc1c[nH+]cn1C)c1ccc(C#N)cc1 ZINC000290492314 342534311 /nfs/dbraw/zinc/53/43/11/342534311.db2.gz RQOHZKPVVFKMCH-NSHDSACASA-N 1 2 283.335 1.852 20 30 CDEDLO CC[N@H+](CCC#N)C[C@@H](O)COc1ccccc1C#N ZINC000042450519 341999291 /nfs/dbraw/zinc/99/92/91/341999291.db2.gz DJRQIKUMTINCIS-CQSZACIVSA-N 1 2 273.336 1.534 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@@H](O)COc1ccccc1C#N ZINC000042450519 341999292 /nfs/dbraw/zinc/99/92/92/341999292.db2.gz DJRQIKUMTINCIS-CQSZACIVSA-N 1 2 273.336 1.534 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CCc2[nH+]c[nH]c2C1 ZINC000590598812 342579761 /nfs/dbraw/zinc/57/97/61/342579761.db2.gz BNIPZNBKZQYXQN-LLVKDONJSA-N 1 2 295.346 1.667 20 30 CDEDLO C=CCOc1cccnc1C(=O)NCCc1c[nH+]cn1C ZINC000121321942 342088129 /nfs/dbraw/zinc/08/81/29/342088129.db2.gz COVURYWDFQGOKV-UHFFFAOYSA-N 1 2 286.335 1.352 20 30 CDEDLO Cn1cc[nH+]c1CS(=O)(=O)Cc1cccc(C#N)c1 ZINC000609224486 342097447 /nfs/dbraw/zinc/09/74/47/342097447.db2.gz MQSYRFJZVFUGAM-UHFFFAOYSA-N 1 2 275.333 1.407 20 30 CDEDLO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN(CCC#N)CC1 ZINC000609350999 342103680 /nfs/dbraw/zinc/10/36/80/342103680.db2.gz QCZPLWMELJDBBK-OAHLLOKOSA-N 1 2 292.427 1.309 20 30 CDEDLO Cc1cc(N[C@@H]2CCN(C(=O)C3CCCC3)C2)c(C#N)c[nH+]1 ZINC000591821322 342647458 /nfs/dbraw/zinc/64/74/58/342647458.db2.gz CVZGJUKZCUXJQF-OAHLLOKOSA-N 1 2 298.390 1.887 20 30 CDEDLO Cc1cc(N[C@@H]2CCOC3(CCOCC3)C2)c(C#N)c[nH+]1 ZINC000591821486 342647680 /nfs/dbraw/zinc/64/76/80/342647680.db2.gz JBXCCYGSTQWKJO-CQSZACIVSA-N 1 2 287.363 1.824 20 30 CDEDLO Cc1cc(CNC(=O)N2CC[C@@](O)(CC#N)C2)cc(C)[nH+]1 ZINC000592031180 342662627 /nfs/dbraw/zinc/66/26/27/342662627.db2.gz WCGBJJNTJPQOFZ-HNNXBMFYSA-N 1 2 288.351 1.259 20 30 CDEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CC[C@@](O)(CC#N)C1 ZINC000592031907 342662697 /nfs/dbraw/zinc/66/26/97/342662697.db2.gz XQDNNRJUQYLYCJ-RISCZKNCSA-N 1 2 291.355 1.024 20 30 CDEDLO COc1c(C)cnc(C[N@@H+]2CC[C@](O)(CC#N)C2)c1C ZINC000592149994 342668605 /nfs/dbraw/zinc/66/86/05/342668605.db2.gz BDFBRDDAIBLDFY-OAHLLOKOSA-N 1 2 275.352 1.558 20 30 CDEDLO COc1c(C)cnc(C[N@H+]2CC[C@](O)(CC#N)C2)c1C ZINC000592149994 342668606 /nfs/dbraw/zinc/66/86/06/342668606.db2.gz BDFBRDDAIBLDFY-OAHLLOKOSA-N 1 2 275.352 1.558 20 30 CDEDLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150168 342668741 /nfs/dbraw/zinc/66/87/41/342668741.db2.gz BKTZYWWAYAGNOB-BXUZGUMPSA-N 1 2 268.357 1.457 20 30 CDEDLO CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150168 342668742 /nfs/dbraw/zinc/66/87/42/342668742.db2.gz BKTZYWWAYAGNOB-BXUZGUMPSA-N 1 2 268.357 1.457 20 30 CDEDLO CCOC(=O)c1ccc(C[N@@H+]2CC[C@](O)(CC#N)C2)o1 ZINC000592150839 342668927 /nfs/dbraw/zinc/66/89/27/342668927.db2.gz HLVOGETVXFWIJC-CQSZACIVSA-N 1 2 278.308 1.307 20 30 CDEDLO CCOC(=O)c1ccc(C[N@H+]2CC[C@](O)(CC#N)C2)o1 ZINC000592150839 342668928 /nfs/dbraw/zinc/66/89/28/342668928.db2.gz HLVOGETVXFWIJC-CQSZACIVSA-N 1 2 278.308 1.307 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000592521968 342701976 /nfs/dbraw/zinc/70/19/76/342701976.db2.gz FVJQOLGTWIUONY-ZDUSSCGKSA-N 1 2 270.254 1.954 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000592521968 342701977 /nfs/dbraw/zinc/70/19/77/342701977.db2.gz FVJQOLGTWIUONY-ZDUSSCGKSA-N 1 2 270.254 1.954 20 30 CDEDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602475179 342166259 /nfs/dbraw/zinc/16/62/59/342166259.db2.gz XNAYJEXBGDHCLA-ZDUSSCGKSA-N 1 2 291.376 1.434 20 30 CDEDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602475179 342166260 /nfs/dbraw/zinc/16/62/60/342166260.db2.gz XNAYJEXBGDHCLA-ZDUSSCGKSA-N 1 2 291.376 1.434 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCc2nn[nH]c2C1 ZINC000617547239 361874472 /nfs/dbraw/zinc/87/44/72/361874472.db2.gz OECLCUPQZAYYEU-UHFFFAOYSA-N 1 2 253.309 1.543 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@H+]1CCc2nn[nH]c2C1 ZINC000617547239 361874476 /nfs/dbraw/zinc/87/44/76/361874476.db2.gz OECLCUPQZAYYEU-UHFFFAOYSA-N 1 2 253.309 1.543 20 30 CDEDLO C=CCOCCN1CCc2[nH+]c[nH]c2[C@@H]1c1ccnn1C ZINC000625497733 342175128 /nfs/dbraw/zinc/17/51/28/342175128.db2.gz ZGXOTXICWISGDE-HNNXBMFYSA-N 1 2 287.367 1.293 20 30 CDEDLO CC[C@H](C#N)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000593389235 342793811 /nfs/dbraw/zinc/79/38/11/342793811.db2.gz PDDCWRXRWVFQRD-MRXNPFEDSA-N 1 2 296.374 1.752 20 30 CDEDLO N#C[C@@H]1CC[C@H](n2cc(C[NH+]3CCSCC3)nn2)C1 ZINC000600814184 342250462 /nfs/dbraw/zinc/25/04/62/342250462.db2.gz VXCOJGZGDNAZIW-YPMHNXCESA-N 1 2 277.397 1.692 20 30 CDEDLO N#Cc1ccc(C(=O)CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000356158734 539104819 /nfs/dbraw/zinc/10/48/19/539104819.db2.gz HSVXWQFYAHPBJP-UHFFFAOYSA-N 1 2 282.303 1.213 20 30 CDEDLO N#Cc1ccc(C(=O)CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000356158734 539104820 /nfs/dbraw/zinc/10/48/20/539104820.db2.gz HSVXWQFYAHPBJP-UHFFFAOYSA-N 1 2 282.303 1.213 20 30 CDEDLO Cc1ccc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)cc1C#N ZINC000599359509 344024864 /nfs/dbraw/zinc/02/48/64/344024864.db2.gz CCXJQHBCTITBQR-OAHLLOKOSA-N 1 2 292.404 1.876 20 30 CDEDLO Cc1ccc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)C2)cc1C#N ZINC000599359509 344024865 /nfs/dbraw/zinc/02/48/65/344024865.db2.gz CCXJQHBCTITBQR-OAHLLOKOSA-N 1 2 292.404 1.876 20 30 CDEDLO CCCCCOCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000584354764 362041362 /nfs/dbraw/zinc/04/13/62/362041362.db2.gz WXDMZIGFOYSBQA-ZDUSSCGKSA-N 1 2 255.362 1.153 20 30 CDEDLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)on1 ZINC000595610793 343108965 /nfs/dbraw/zinc/10/89/65/343108965.db2.gz CGYHGAWRAGQIEU-NSHDSACASA-N 1 2 262.313 1.547 20 30 CDEDLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)on1 ZINC000595610793 343108967 /nfs/dbraw/zinc/10/89/67/343108967.db2.gz CGYHGAWRAGQIEU-NSHDSACASA-N 1 2 262.313 1.547 20 30 CDEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1COCCO1 ZINC000595745631 343151145 /nfs/dbraw/zinc/15/11/45/343151145.db2.gz YTYXUAVZHYGTKO-AWEZNQCLSA-N 1 2 264.300 1.545 20 30 CDEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1COCCO1 ZINC000595745631 343151147 /nfs/dbraw/zinc/15/11/47/343151147.db2.gz YTYXUAVZHYGTKO-AWEZNQCLSA-N 1 2 264.300 1.545 20 30 CDEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)NCc1cccs1 ZINC000081039168 342363337 /nfs/dbraw/zinc/36/33/37/342363337.db2.gz ABFNYUUOTPMLKU-NSHDSACASA-N 1 2 265.382 1.988 20 30 CDEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)NCc1cccs1 ZINC000081039168 342363338 /nfs/dbraw/zinc/36/33/38/342363338.db2.gz ABFNYUUOTPMLKU-NSHDSACASA-N 1 2 265.382 1.988 20 30 CDEDLO CCOCCO[C@H]1CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000157659195 362120029 /nfs/dbraw/zinc/12/00/29/362120029.db2.gz UMOQOENOVGNEJG-KBPBESRZSA-N 1 2 265.357 1.557 20 30 CDEDLO CCOCCO[C@H]1CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000157659195 362120032 /nfs/dbraw/zinc/12/00/32/362120032.db2.gz UMOQOENOVGNEJG-KBPBESRZSA-N 1 2 265.357 1.557 20 30 CDEDLO N#CCC[N@@H+](CCCN1CCCC1=O)Cc1ccccn1 ZINC000081160219 342364874 /nfs/dbraw/zinc/36/48/74/342364874.db2.gz BURIAYCIIGHIPC-UHFFFAOYSA-N 1 2 286.379 1.810 20 30 CDEDLO N#CCC[N@H+](CCCN1CCCC1=O)Cc1ccccn1 ZINC000081160219 342364875 /nfs/dbraw/zinc/36/48/75/342364875.db2.gz BURIAYCIIGHIPC-UHFFFAOYSA-N 1 2 286.379 1.810 20 30 CDEDLO CC[NH+]1CCN(S(=O)(=O)c2ccccc2CC#N)CC1 ZINC000619571646 349807310 /nfs/dbraw/zinc/80/73/10/349807310.db2.gz NLWBAFCVGOMEFV-UHFFFAOYSA-N 1 2 293.392 1.079 20 30 CDEDLO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1nnc[nH]1 ZINC000177134068 529871440 /nfs/dbraw/zinc/87/14/40/529871440.db2.gz GCCHEIQMPVAOAE-UHFFFAOYSA-N 1 2 284.323 1.137 20 30 CDEDLO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1nnc[nH]1 ZINC000177134068 529871442 /nfs/dbraw/zinc/87/14/42/529871442.db2.gz GCCHEIQMPVAOAE-UHFFFAOYSA-N 1 2 284.323 1.137 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 ZINC000619717094 349867848 /nfs/dbraw/zinc/86/78/48/349867848.db2.gz SRPQIXIBWLBZFJ-MGPQQGTHSA-N 1 2 296.411 1.731 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 ZINC000619717094 349867850 /nfs/dbraw/zinc/86/78/50/349867850.db2.gz SRPQIXIBWLBZFJ-MGPQQGTHSA-N 1 2 296.411 1.731 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+](C)C[C@@H](C)c1nccs1 ZINC000619720561 349870664 /nfs/dbraw/zinc/87/06/64/349870664.db2.gz QRFOBTUBLFMNBO-NXEZZACHSA-N 1 2 254.355 1.906 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000619720561 349870666 /nfs/dbraw/zinc/87/06/66/349870666.db2.gz QRFOBTUBLFMNBO-NXEZZACHSA-N 1 2 254.355 1.906 20 30 CDEDLO C[C@@H](NC(=O)c1ccc(CC#N)cc1)c1[nH+]ccn1C ZINC000598464108 343805862 /nfs/dbraw/zinc/80/58/62/343805862.db2.gz GBMGXEGGPKRIAU-LLVKDONJSA-N 1 2 268.320 1.977 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000598727104 343886114 /nfs/dbraw/zinc/88/61/14/343886114.db2.gz CJYBPUGXYLIUBV-CQSZACIVSA-N 1 2 299.378 1.658 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000619785232 349902001 /nfs/dbraw/zinc/90/20/01/349902001.db2.gz NGLUWCGHVVNGTI-CYBMUJFWSA-N 1 2 278.308 1.797 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000619785232 349902004 /nfs/dbraw/zinc/90/20/04/349902004.db2.gz NGLUWCGHVVNGTI-CYBMUJFWSA-N 1 2 278.308 1.797 20 30 CDEDLO C[N@H+](CC#Cc1ccc(Cl)cc1)C(C)(C)C(N)=O ZINC000295693386 282337920 /nfs/dbraw/zinc/33/79/20/282337920.db2.gz LUCGRFNORAIBDT-UHFFFAOYSA-N 1 2 264.756 1.887 20 30 CDEDLO C[N@@H+](CC#Cc1ccc(Cl)cc1)C(C)(C)C(N)=O ZINC000295693386 282337921 /nfs/dbraw/zinc/33/79/21/282337921.db2.gz LUCGRFNORAIBDT-UHFFFAOYSA-N 1 2 264.756 1.887 20 30 CDEDLO COC(=O)c1ccc(C[N@H+](CCC#N)C(C)C)n1C ZINC000602446412 344432695 /nfs/dbraw/zinc/43/26/95/344432695.db2.gz BRMLPLVARBOHJD-UHFFFAOYSA-N 1 2 263.341 1.936 20 30 CDEDLO COC(=O)c1ccc(C[N@@H+](CCC#N)C(C)C)n1C ZINC000602446412 344432698 /nfs/dbraw/zinc/43/26/98/344432698.db2.gz BRMLPLVARBOHJD-UHFFFAOYSA-N 1 2 263.341 1.936 20 30 CDEDLO CCOC(=O)[C@@H]1CSCC[N@@H+]1C[C@@H](C)CCC#N ZINC000602437464 344416573 /nfs/dbraw/zinc/41/65/73/344416573.db2.gz YLRWVFPQFVNLSU-RYUDHWBXSA-N 1 2 270.398 1.907 20 30 CDEDLO CCOC(=O)[C@@H]1CSCC[N@H+]1C[C@@H](C)CCC#N ZINC000602437464 344416574 /nfs/dbraw/zinc/41/65/74/344416574.db2.gz YLRWVFPQFVNLSU-RYUDHWBXSA-N 1 2 270.398 1.907 20 30 CDEDLO C=CCC[C@H]([NH2+]C[C@@]1(OC)CCOC1)C(=O)OCC ZINC000602679109 344527592 /nfs/dbraw/zinc/52/75/92/344527592.db2.gz BJZOJTBILUKYIX-JSGCOSHPSA-N 1 2 271.357 1.279 20 30 CDEDLO N#CCC1(C[NH+]2CCN(C(=O)N3CCCC3)CC2)CC1 ZINC000602758902 344582200 /nfs/dbraw/zinc/58/22/00/344582200.db2.gz IXYNHABBTUOJOM-UHFFFAOYSA-N 1 2 276.384 1.514 20 30 CDEDLO COCc1cccc(CNC(=O)C[NH2+][C@H](C)CC#N)c1 ZINC000602860704 344616550 /nfs/dbraw/zinc/61/65/50/344616550.db2.gz FLAVBKPEPFYDFJ-GFCCVEGCSA-N 1 2 275.352 1.341 20 30 CDEDLO CCOc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)CC#N)cc1 ZINC000602860735 344616700 /nfs/dbraw/zinc/61/67/00/344616700.db2.gz DUJAWDOREJQECF-ZDUSSCGKSA-N 1 2 289.379 1.935 20 30 CDEDLO COc1ccc(Cl)cc1CNC(=O)C[NH2+][C@@H](C)CC#N ZINC000602862012 344617342 /nfs/dbraw/zinc/61/73/42/344617342.db2.gz KGPXRIQYAMYFSW-JTQLQIEISA-N 1 2 295.770 1.857 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H]1CCN(c2sccc2C#N)C1=O ZINC000602870842 344641198 /nfs/dbraw/zinc/64/11/98/344641198.db2.gz XTBDECPXKJZENZ-KOLCDFICSA-N 1 2 274.349 1.617 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000602870453 344641253 /nfs/dbraw/zinc/64/12/53/344641253.db2.gz UDPLDBGFOJJPED-RISCZKNCSA-N 1 2 268.320 1.555 20 30 CDEDLO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166961 347068643 /nfs/dbraw/zinc/06/86/43/347068643.db2.gz TZOSFRWYZRPICE-JSGCOSHPSA-N 1 2 251.374 1.869 20 30 CDEDLO CCN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166961 347068647 /nfs/dbraw/zinc/06/86/47/347068647.db2.gz TZOSFRWYZRPICE-JSGCOSHPSA-N 1 2 251.374 1.869 20 30 CDEDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612166445 347067618 /nfs/dbraw/zinc/06/76/18/347067618.db2.gz RNEFTMWPZDYEFO-BXUZGUMPSA-N 1 2 251.374 1.915 20 30 CDEDLO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612166445 347067620 /nfs/dbraw/zinc/06/76/20/347067620.db2.gz RNEFTMWPZDYEFO-BXUZGUMPSA-N 1 2 251.374 1.915 20 30 CDEDLO N#CCN1CCC(Nc2nc[nH+]c(N)c2Cl)CC1 ZINC000617950235 344905958 /nfs/dbraw/zinc/90/59/58/344905958.db2.gz YSTAIHSRHDWCBG-UHFFFAOYSA-N 1 2 266.736 1.112 20 30 CDEDLO N#CCN1CCC(Nc2[nH+]cnc(N)c2Cl)CC1 ZINC000617950235 344905961 /nfs/dbraw/zinc/90/59/61/344905961.db2.gz YSTAIHSRHDWCBG-UHFFFAOYSA-N 1 2 266.736 1.112 20 30 CDEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccccn2)CC1 ZINC000609485915 344915369 /nfs/dbraw/zinc/91/53/69/344915369.db2.gz ZZCZXMZTQBJYCL-OAHLLOKOSA-N 1 2 258.369 1.747 20 30 CDEDLO CC1(C[N@@H+]2CCC[C@@]3(CCCCO3)[C@@H]2C#N)COC1 ZINC000447910957 362554949 /nfs/dbraw/zinc/55/49/49/362554949.db2.gz YUKVYJVGNVLUNS-ZFWWWQNUSA-N 1 2 264.369 1.950 20 30 CDEDLO CC1(C[N@H+]2CCC[C@@]3(CCCCO3)[C@@H]2C#N)COC1 ZINC000447910957 362554955 /nfs/dbraw/zinc/55/49/55/362554955.db2.gz YUKVYJVGNVLUNS-ZFWWWQNUSA-N 1 2 264.369 1.950 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H](C)O1 ZINC000249266407 362571699 /nfs/dbraw/zinc/57/16/99/362571699.db2.gz ZOYOGJNGXGSAKZ-MNOVXSKESA-N 1 2 266.366 1.855 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H](C)O1 ZINC000249266407 362571706 /nfs/dbraw/zinc/57/17/06/362571706.db2.gz ZOYOGJNGXGSAKZ-MNOVXSKESA-N 1 2 266.366 1.855 20 30 CDEDLO CCN(CC)C(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609538912 345595295 /nfs/dbraw/zinc/59/52/95/345595295.db2.gz OXMIQMIQQWTGLI-CQSZACIVSA-N 1 2 280.416 1.021 20 30 CDEDLO C=CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H](C)COC ZINC000617581571 345866644 /nfs/dbraw/zinc/86/66/44/345866644.db2.gz UGPNSBQGBHVUFX-CHWSQXEVSA-N 1 2 277.368 1.495 20 30 CDEDLO C=CCCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000617616026 345878290 /nfs/dbraw/zinc/87/82/90/345878290.db2.gz GMWJRCAIPRJOQJ-UHFFFAOYSA-N 1 2 274.364 1.825 20 30 CDEDLO COCC[N@@H+](CCC#N)CCOc1ccccc1OC ZINC000088401884 346051559 /nfs/dbraw/zinc/05/15/59/346051559.db2.gz FPYSZTIUXRQXJL-UHFFFAOYSA-N 1 2 278.352 1.936 20 30 CDEDLO COCC[N@H+](CCC#N)CCOc1ccccc1OC ZINC000088401884 346051562 /nfs/dbraw/zinc/05/15/62/346051562.db2.gz FPYSZTIUXRQXJL-UHFFFAOYSA-N 1 2 278.352 1.936 20 30 CDEDLO C=C[C@@H]1CCCCN1c1cc(N2CCOCC2)[nH+]cn1 ZINC000362837140 346127216 /nfs/dbraw/zinc/12/72/16/346127216.db2.gz AJYCYJVHRXXTEV-CYBMUJFWSA-N 1 2 274.368 1.858 20 30 CDEDLO C=C[C@@H]1CCCCN1c1cc(N2CCOCC2)nc[nH+]1 ZINC000362837140 346127218 /nfs/dbraw/zinc/12/72/18/346127218.db2.gz AJYCYJVHRXXTEV-CYBMUJFWSA-N 1 2 274.368 1.858 20 30 CDEDLO CC(=O)Nc1ccccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000584723907 346419373 /nfs/dbraw/zinc/41/93/73/346419373.db2.gz PSQXUZSARHODBU-ZDUSSCGKSA-N 1 2 291.351 1.230 20 30 CDEDLO CC(=O)Nc1ccccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000584723907 346419376 /nfs/dbraw/zinc/41/93/76/346419376.db2.gz PSQXUZSARHODBU-ZDUSSCGKSA-N 1 2 291.351 1.230 20 30 CDEDLO CCCN(CCC)C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611174431 346628004 /nfs/dbraw/zinc/62/80/04/346628004.db2.gz FHTUIVJRGJIKQF-UHFFFAOYSA-N 1 2 280.416 1.166 20 30 CDEDLO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccon3)C2=O)cc1 ZINC000611509247 346800198 /nfs/dbraw/zinc/80/01/98/346800198.db2.gz PQJDMLYODABZLY-OAHLLOKOSA-N 1 2 296.330 1.831 20 30 CDEDLO COC(=O)c1cn([C@@H]2CCC[N@H+](CC3(C#N)CC3)C2)nn1 ZINC000613024008 347378233 /nfs/dbraw/zinc/37/82/33/347378233.db2.gz DXABOXDCEFNTCX-LLVKDONJSA-N 1 2 289.339 1.005 20 30 CDEDLO COC(=O)c1cn([C@@H]2CCC[N@@H+](CC3(C#N)CC3)C2)nn1 ZINC000613024008 347378236 /nfs/dbraw/zinc/37/82/36/347378236.db2.gz DXABOXDCEFNTCX-LLVKDONJSA-N 1 2 289.339 1.005 20 30 CDEDLO C#C[C@@H](NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1)C(C)C ZINC000491221062 347579896 /nfs/dbraw/zinc/57/98/96/347579896.db2.gz SLVPCVAQDITGMA-CHWSQXEVSA-N 1 2 274.368 1.828 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054345369 347819380 /nfs/dbraw/zinc/81/93/80/347819380.db2.gz GXHXLBTZHJQWCN-KBPBESRZSA-N 1 2 264.369 1.440 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054345369 347819381 /nfs/dbraw/zinc/81/93/81/347819381.db2.gz GXHXLBTZHJQWCN-KBPBESRZSA-N 1 2 264.369 1.440 20 30 CDEDLO C=C[C@@H]([NH2+]CCCc1ccc2c(c1)OCCO2)C(=O)OC ZINC000619702062 347909332 /nfs/dbraw/zinc/90/93/32/347909332.db2.gz FHBPYVVORBEGEQ-CYBMUJFWSA-N 1 2 291.347 1.708 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCOc1ccc(OC)cc1 ZINC000619716609 348181741 /nfs/dbraw/zinc/18/17/41/348181741.db2.gz QGVNKRHKIKUIAH-CQSZACIVSA-N 1 2 279.336 1.733 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCOc1ccc(OC)cc1 ZINC000619716609 348181745 /nfs/dbraw/zinc/18/17/45/348181745.db2.gz QGVNKRHKIKUIAH-CQSZACIVSA-N 1 2 279.336 1.733 20 30 CDEDLO CC(=O)c1ccc(OC[C@H](O)C[N@H+](C)CCC#N)c(C)c1 ZINC000414147732 362924824 /nfs/dbraw/zinc/92/48/24/362924824.db2.gz RVXUJIPMDLHZHX-OAHLLOKOSA-N 1 2 290.363 1.783 20 30 CDEDLO CC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)c(C)c1 ZINC000414147732 362924829 /nfs/dbraw/zinc/92/48/29/362924829.db2.gz RVXUJIPMDLHZHX-OAHLLOKOSA-N 1 2 290.363 1.783 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCOc3ccccc3C2)CCC1 ZINC000615224018 348397792 /nfs/dbraw/zinc/39/77/92/348397792.db2.gz SCLZVPDJDYQRTJ-UHFFFAOYSA-N 1 2 285.347 1.443 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCOc3ccccc3C2)CCC1 ZINC000615224018 348397793 /nfs/dbraw/zinc/39/77/93/348397793.db2.gz SCLZVPDJDYQRTJ-UHFFFAOYSA-N 1 2 285.347 1.443 20 30 CDEDLO CCOc1ncccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000576163902 348487459 /nfs/dbraw/zinc/48/74/59/348487459.db2.gz FTHGEENSWUNZBB-CQSZACIVSA-N 1 2 276.340 1.054 20 30 CDEDLO N#CCNC(=O)C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000066491862 348986981 /nfs/dbraw/zinc/98/69/81/348986981.db2.gz MPICJQZBUBTGBU-UHFFFAOYSA-N 1 2 285.347 1.221 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2sc(C)nc2C)CC1 ZINC000068468271 349067413 /nfs/dbraw/zinc/06/74/13/349067413.db2.gz PWJXAIJOOIDYKT-UHFFFAOYSA-N 1 2 277.393 1.541 20 30 CDEDLO C#CCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000069979360 349112472 /nfs/dbraw/zinc/11/24/72/349112472.db2.gz RYIWTJHAEVSLRO-AWEZNQCLSA-N 1 2 274.389 1.526 20 30 CDEDLO C=C[C@@H](O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@@H](C)CO ZINC000616018417 349245677 /nfs/dbraw/zinc/24/56/77/349245677.db2.gz SIFNDZCXFIXATR-LKFCYVNXSA-N 1 2 289.335 1.383 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602684476 350142026 /nfs/dbraw/zinc/14/20/26/350142026.db2.gz YSKHYOIGDFAFNC-AWEZNQCLSA-N 1 2 293.392 1.352 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602684476 350142027 /nfs/dbraw/zinc/14/20/27/350142027.db2.gz YSKHYOIGDFAFNC-AWEZNQCLSA-N 1 2 293.392 1.352 20 30 CDEDLO CO[C@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000602897779 350162282 /nfs/dbraw/zinc/16/22/82/350162282.db2.gz JRFZNZLVSYSRDS-OAHLLOKOSA-N 1 2 289.335 1.192 20 30 CDEDLO CO[C@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000602897779 350162286 /nfs/dbraw/zinc/16/22/86/350162286.db2.gz JRFZNZLVSYSRDS-OAHLLOKOSA-N 1 2 289.335 1.192 20 30 CDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccccc2C#N)C[C@@H]1C ZINC000110751876 350308316 /nfs/dbraw/zinc/30/83/16/350308316.db2.gz RAHJCFAPNQJBCN-LBPRGKRZSA-N 1 2 293.392 1.273 20 30 CDEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccccc2C#N)C[C@@H]1C ZINC000110751876 350308318 /nfs/dbraw/zinc/30/83/18/350308318.db2.gz RAHJCFAPNQJBCN-LBPRGKRZSA-N 1 2 293.392 1.273 20 30 CDEDLO COCC[N@H+](Cc1ccc(C#N)cc1F)[C@@H](C)C(N)=O ZINC000106314228 186109126 /nfs/dbraw/zinc/10/91/26/186109126.db2.gz WVBOYCDGCAELLA-JTQLQIEISA-N 1 2 279.315 1.020 20 30 CDEDLO COCC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H](C)C(N)=O ZINC000106314228 186109128 /nfs/dbraw/zinc/10/91/28/186109128.db2.gz WVBOYCDGCAELLA-JTQLQIEISA-N 1 2 279.315 1.020 20 30 CDEDLO CC(C)[N@H+](C)CC(=O)Nc1n[nH]c(-c2ccco2)n1 ZINC000067572572 350958736 /nfs/dbraw/zinc/95/87/36/350958736.db2.gz VKDVNDPNZSBEAT-UHFFFAOYSA-N 1 2 263.301 1.993 20 30 CDEDLO CC(C)[N@@H+](C)CC(=O)Nc1n[nH]c(-c2ccco2)n1 ZINC000067572572 350958738 /nfs/dbraw/zinc/95/87/38/350958738.db2.gz VKDVNDPNZSBEAT-UHFFFAOYSA-N 1 2 263.301 1.993 20 30 CDEDLO CC(C)[N@H+](C)CC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000067572572 350958740 /nfs/dbraw/zinc/95/87/40/350958740.db2.gz VKDVNDPNZSBEAT-UHFFFAOYSA-N 1 2 263.301 1.993 20 30 CDEDLO CC(C)[N@@H+](C)CC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000067572572 350958743 /nfs/dbraw/zinc/95/87/43/350958743.db2.gz VKDVNDPNZSBEAT-UHFFFAOYSA-N 1 2 263.301 1.993 20 30 CDEDLO C#CCCCCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000156112904 188243061 /nfs/dbraw/zinc/24/30/61/188243061.db2.gz CGJRMVLHKYVFTN-UHFFFAOYSA-N 1 2 255.321 1.797 20 30 CDEDLO C[C@@H]1C[C@]1(C#N)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000336248943 363228577 /nfs/dbraw/zinc/22/85/77/363228577.db2.gz CFHZNOULIRZVLD-IUODEOHRSA-N 1 2 273.336 1.474 20 30 CDEDLO Cn1c[nH+]c2c1CCN(Cc1ccc(C#N)c(F)c1)C2 ZINC000365256665 363297147 /nfs/dbraw/zinc/29/71/47/363297147.db2.gz ONNXZIBJONDDGO-UHFFFAOYSA-N 1 2 270.311 1.989 20 30 CDEDLO N#CC1(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCCC1 ZINC000333977335 363297926 /nfs/dbraw/zinc/29/79/26/363297926.db2.gz YYNNGNWJPMVRCM-BETUJISGSA-N 1 2 277.368 1.050 20 30 CDEDLO N#CC1(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCCC1 ZINC000333977335 363297931 /nfs/dbraw/zinc/29/79/31/363297931.db2.gz YYNNGNWJPMVRCM-BETUJISGSA-N 1 2 277.368 1.050 20 30 CDEDLO N#Cc1cccc(OCCN2CCn3c[nH+]cc3C2)c1 ZINC000590600500 358490138 /nfs/dbraw/zinc/49/01/38/358490138.db2.gz ZXGMJQDQPQYXJH-UHFFFAOYSA-N 1 2 268.320 1.649 20 30 CDEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000172952341 188834910 /nfs/dbraw/zinc/83/49/10/188834910.db2.gz BLTQTFYSDZEWHS-UHFFFAOYSA-N 1 2 299.783 1.148 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cnn(C)c1 ZINC000032539891 356101958 /nfs/dbraw/zinc/10/19/58/356101958.db2.gz MHAYDGUHMSAHKO-LBPRGKRZSA-N 1 2 297.362 1.751 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cnn(C)c1 ZINC000032539891 356101963 /nfs/dbraw/zinc/10/19/63/356101963.db2.gz MHAYDGUHMSAHKO-LBPRGKRZSA-N 1 2 297.362 1.751 20 30 CDEDLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1cc(C#N)cs1 ZINC000336348448 356148815 /nfs/dbraw/zinc/14/88/15/356148815.db2.gz DWVHCVAYKYRBQF-DYZYQPBXSA-N 1 2 268.407 1.963 20 30 CDEDLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1cc(C#N)cs1 ZINC000336348448 356148819 /nfs/dbraw/zinc/14/88/19/356148819.db2.gz DWVHCVAYKYRBQF-DYZYQPBXSA-N 1 2 268.407 1.963 20 30 CDEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1nnc(C)s1 ZINC000273543936 192195899 /nfs/dbraw/zinc/19/58/99/192195899.db2.gz BAFVUTYFSJRSKH-SNVBAGLBSA-N 1 2 280.397 1.698 20 30 CDEDLO Cc1ccc(/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C)cn1 ZINC000493329959 366284166 /nfs/dbraw/zinc/28/41/66/366284166.db2.gz YNJVPDLGJKKPNQ-ZPIQOJFGSA-N 1 2 272.352 1.363 20 30 CDEDLO CO[C@H]1C[C@@H](C(=O)Nc2ccc3nc(C)cn3c2)[N@H+](C)C1 ZINC000328937744 538443275 /nfs/dbraw/zinc/44/32/75/538443275.db2.gz JWVYBRQGLIFTTR-STQMWFEESA-N 1 2 288.351 1.950 20 30 CDEDLO CO[C@H]1C[C@@H](C(=O)Nc2ccc3nc(C)cn3c2)[N@@H+](C)C1 ZINC000328937744 538443276 /nfs/dbraw/zinc/44/32/76/538443276.db2.gz JWVYBRQGLIFTTR-STQMWFEESA-N 1 2 288.351 1.950 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000644674619 366341462 /nfs/dbraw/zinc/34/14/62/366341462.db2.gz SMHREJDXFQFANB-CYBMUJFWSA-N 1 2 266.385 1.522 20 30 CDEDLO N#CCN1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000072878453 356935381 /nfs/dbraw/zinc/93/53/81/356935381.db2.gz YADFQIVNVOQSPI-UHFFFAOYSA-N 1 2 272.377 1.937 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)COc1ccccc1C#N ZINC000070978984 357178204 /nfs/dbraw/zinc/17/82/04/357178204.db2.gz BNZAULDJJOARTA-UHFFFAOYSA-N 1 2 270.292 1.319 20 30 CDEDLO CC1(C)CNC(=O)C[N@@H+]1CCOc1ccccc1C#N ZINC000282908064 357504945 /nfs/dbraw/zinc/50/49/45/357504945.db2.gz XFQZMFWFKJWMPG-UHFFFAOYSA-N 1 2 273.336 1.147 20 30 CDEDLO CC1(C)CNC(=O)C[N@H+]1CCOc1ccccc1C#N ZINC000282908064 357504953 /nfs/dbraw/zinc/50/49/53/357504953.db2.gz XFQZMFWFKJWMPG-UHFFFAOYSA-N 1 2 273.336 1.147 20 30 CDEDLO C[C@@H](O)CNc1cc(N(C)Cc2cccc(C#N)c2)nc[nH+]1 ZINC000294492191 199060266 /nfs/dbraw/zinc/06/02/66/199060266.db2.gz SHWMXSXWINVBLT-GFCCVEGCSA-N 1 2 297.362 1.777 20 30 CDEDLO C[C@@H](O)CNc1cc(N(C)Cc2cccc(C#N)c2)[nH+]cn1 ZINC000294492191 199060268 /nfs/dbraw/zinc/06/02/68/199060268.db2.gz SHWMXSXWINVBLT-GFCCVEGCSA-N 1 2 297.362 1.777 20 30 CDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ncccc1C#N ZINC000286507736 291131425 /nfs/dbraw/zinc/13/14/25/291131425.db2.gz YSDXKUSLNRPODD-JSGCOSHPSA-N 1 2 272.352 1.253 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1cncs1 ZINC000493482299 366401597 /nfs/dbraw/zinc/40/15/97/366401597.db2.gz NFEIQAJALLHHTP-ZYOFXKKJSA-N 1 2 264.354 1.116 20 30 CDEDLO N#Cc1csc(C[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)n1 ZINC000567722743 358723029 /nfs/dbraw/zinc/72/30/29/358723029.db2.gz KVOHMCBVVAEPSB-MRVPVSSYSA-N 1 2 260.326 1.122 20 30 CDEDLO N#Cc1csc(C[N@H+]2CC[C@@H](c3nnc[nH]3)C2)n1 ZINC000567722743 358723031 /nfs/dbraw/zinc/72/30/31/358723031.db2.gz KVOHMCBVVAEPSB-MRVPVSSYSA-N 1 2 260.326 1.122 20 30 CDEDLO CCc1nn(Cc2c[nH+]cn2C)c(=O)c(C#N)c1CC ZINC000267166712 358970086 /nfs/dbraw/zinc/97/00/86/358970086.db2.gz SPSNFZYPTTXXMX-UHFFFAOYSA-N 1 2 271.324 1.022 20 30 CDEDLO C=CC[N@@H+](C)CN1C[C@H](NC(=O)OC(C)(C)C)CC1=O ZINC000495489006 366524419 /nfs/dbraw/zinc/52/44/19/366524419.db2.gz ZTDSYSWFGCUHDT-LLVKDONJSA-N 1 2 283.372 1.187 20 30 CDEDLO C=CC[N@H+](C)CN1C[C@H](NC(=O)OC(C)(C)C)CC1=O ZINC000495489006 366524426 /nfs/dbraw/zinc/52/44/26/366524426.db2.gz ZTDSYSWFGCUHDT-LLVKDONJSA-N 1 2 283.372 1.187 20 30 CDEDLO COc1cc(C[N@H+](C)CC(=O)N2CCCC2)ccc1C#N ZINC000234918940 358994355 /nfs/dbraw/zinc/99/43/55/358994355.db2.gz PZMVKJYNONAVBF-UHFFFAOYSA-N 1 2 287.363 1.621 20 30 CDEDLO COc1cc(C[N@@H+](C)CC(=O)N2CCCC2)ccc1C#N ZINC000234918940 358994357 /nfs/dbraw/zinc/99/43/57/358994357.db2.gz PZMVKJYNONAVBF-UHFFFAOYSA-N 1 2 287.363 1.621 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1CCC(C)(C)C#N ZINC000346988956 359125139 /nfs/dbraw/zinc/12/51/39/359125139.db2.gz LJVZTGWLVHLZCR-NEPJUHHUSA-N 1 2 268.357 1.579 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1CCC(C)(C)C#N ZINC000346988956 359125142 /nfs/dbraw/zinc/12/51/42/359125142.db2.gz LJVZTGWLVHLZCR-NEPJUHHUSA-N 1 2 268.357 1.579 20 30 CDEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000267887200 359355593 /nfs/dbraw/zinc/35/55/93/359355593.db2.gz QNFCBJGXLWOMPN-GFCCVEGCSA-N 1 2 287.363 1.787 20 30 CDEDLO C#CC[N@@H+](CC(=O)N1CCc2sccc2C1)C1CC1 ZINC000274017094 359489741 /nfs/dbraw/zinc/48/97/41/359489741.db2.gz BMUTZPNLRYQLBL-UHFFFAOYSA-N 1 2 274.389 1.730 20 30 CDEDLO C#CC[N@H+](CC(=O)N1CCc2sccc2C1)C1CC1 ZINC000274017094 359489744 /nfs/dbraw/zinc/48/97/44/359489744.db2.gz BMUTZPNLRYQLBL-UHFFFAOYSA-N 1 2 274.389 1.730 20 30 CDEDLO CC#CC[N@H+](C)Cc1cccc(S(C)(=O)=O)c1 ZINC000296802933 200001901 /nfs/dbraw/zinc/00/19/01/200001901.db2.gz UILNZTNEJGIZEJ-UHFFFAOYSA-N 1 2 251.351 1.545 20 30 CDEDLO CC#CC[N@@H+](C)Cc1cccc(S(C)(=O)=O)c1 ZINC000296802933 200001903 /nfs/dbraw/zinc/00/19/03/200001903.db2.gz UILNZTNEJGIZEJ-UHFFFAOYSA-N 1 2 251.351 1.545 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000276893775 359550898 /nfs/dbraw/zinc/55/08/98/359550898.db2.gz CFYTYXXQCIHNIG-UHFFFAOYSA-N 1 2 266.370 1.339 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000276893775 359550900 /nfs/dbraw/zinc/55/09/00/359550900.db2.gz CFYTYXXQCIHNIG-UHFFFAOYSA-N 1 2 266.370 1.339 20 30 CDEDLO C=CCN(c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)C1CC1 ZINC000278274933 359579187 /nfs/dbraw/zinc/57/91/87/359579187.db2.gz BBEQELUYYLXULL-CYBMUJFWSA-N 1 2 288.395 1.840 20 30 CDEDLO C=CCN(c1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)C1CC1 ZINC000278274933 359579193 /nfs/dbraw/zinc/57/91/93/359579193.db2.gz BBEQELUYYLXULL-CYBMUJFWSA-N 1 2 288.395 1.840 20 30 CDEDLO N#Cc1c(Cl)cccc1NCCC[N@@H+]1CCNC(=O)C1 ZINC000297479728 200205651 /nfs/dbraw/zinc/20/56/51/200205651.db2.gz LOPMUXFAVNLKKD-UHFFFAOYSA-N 1 2 292.770 1.445 20 30 CDEDLO N#Cc1c(Cl)cccc1NCCC[N@H+]1CCNC(=O)C1 ZINC000297479728 200205653 /nfs/dbraw/zinc/20/56/53/200205653.db2.gz LOPMUXFAVNLKKD-UHFFFAOYSA-N 1 2 292.770 1.445 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1nc(C)no1 ZINC000348096250 359831687 /nfs/dbraw/zinc/83/16/87/359831687.db2.gz QEKHAXWGEYJLEQ-MNOVXSKESA-N 1 2 280.372 1.842 20 30 CDEDLO C=CCCC(C)(C)NC(=O)[C@@H]1COCC[N@H+]1CC ZINC000637419500 360008460 /nfs/dbraw/zinc/00/84/60/360008460.db2.gz ZYZIYBDTNKNOGB-LBPRGKRZSA-N 1 2 254.374 1.568 20 30 CDEDLO C=CCCC(C)(C)NC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000637419500 360008462 /nfs/dbraw/zinc/00/84/62/360008462.db2.gz ZYZIYBDTNKNOGB-LBPRGKRZSA-N 1 2 254.374 1.568 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccnn1C ZINC000348396941 360050536 /nfs/dbraw/zinc/05/05/36/360050536.db2.gz GOCBCNYQNINJGL-IUODEOHRSA-N 1 2 291.399 1.295 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccnn1C ZINC000348396941 360050538 /nfs/dbraw/zinc/05/05/38/360050538.db2.gz GOCBCNYQNINJGL-IUODEOHRSA-N 1 2 291.399 1.295 20 30 CDEDLO CN(CC#N)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000337545594 360230762 /nfs/dbraw/zinc/23/07/62/360230762.db2.gz NXIGBVMDUKIJTO-UHFFFAOYSA-N 1 2 285.263 1.376 20 30 CDEDLO N#CCCC1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000335417723 360244173 /nfs/dbraw/zinc/24/41/73/360244173.db2.gz MBENWXNIKYXQDM-NSHDSACASA-N 1 2 271.311 1.526 20 30 CDEDLO CO[C@@H](C)c1noc(CN2CCC[N@H+](CCC#N)CC2)n1 ZINC000331659825 360480151 /nfs/dbraw/zinc/48/01/51/360480151.db2.gz PZMFJVFJOFPFMI-LBPRGKRZSA-N 1 2 293.371 1.198 20 30 CDEDLO CO[C@@H](C)c1noc(CN2CCC[N@@H+](CCC#N)CC2)n1 ZINC000331659825 360480158 /nfs/dbraw/zinc/48/01/58/360480158.db2.gz PZMFJVFJOFPFMI-LBPRGKRZSA-N 1 2 293.371 1.198 20 30 CDEDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN(CCC#N)CC2)n1 ZINC000331659825 360480163 /nfs/dbraw/zinc/48/01/63/360480163.db2.gz PZMFJVFJOFPFMI-LBPRGKRZSA-N 1 2 293.371 1.198 20 30 CDEDLO CO[C@@H](C)c1noc(C[N@H+]2CCCN(CCC#N)CC2)n1 ZINC000331659825 360480169 /nfs/dbraw/zinc/48/01/69/360480169.db2.gz PZMFJVFJOFPFMI-LBPRGKRZSA-N 1 2 293.371 1.198 20 30 CDEDLO N#Cc1ccc(F)c(CNC(=O)CCc2[nH]cc[nH+]2)c1 ZINC000354172927 360614043 /nfs/dbraw/zinc/61/40/43/360614043.db2.gz RJXXMKCNSOPGAF-UHFFFAOYSA-N 1 2 272.283 1.669 20 30 CDEDLO CC(C)C[C@@H]1COCC[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000246268049 360826763 /nfs/dbraw/zinc/82/67/63/360826763.db2.gz ASDJYSNLOCIHPX-GDBMZVCRSA-N 1 2 295.427 1.788 20 30 CDEDLO CC(C)C[C@@H]1COCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000246268049 360826769 /nfs/dbraw/zinc/82/67/69/360826769.db2.gz ASDJYSNLOCIHPX-GDBMZVCRSA-N 1 2 295.427 1.788 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2ccc(C#N)cc2OC)CCO1 ZINC000179661099 189210994 /nfs/dbraw/zinc/21/09/94/189210994.db2.gz VHTHYHGMWMOVJT-CQSZACIVSA-N 1 2 276.336 1.414 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2OC)CCO1 ZINC000179661099 189210995 /nfs/dbraw/zinc/21/09/95/189210995.db2.gz VHTHYHGMWMOVJT-CQSZACIVSA-N 1 2 276.336 1.414 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC1(CC#N)CC1 ZINC000431205626 360980592 /nfs/dbraw/zinc/98/05/92/360980592.db2.gz YWNOILJMANSRBZ-CYBMUJFWSA-N 1 2 294.399 1.042 20 30 CDEDLO C[C@H]1C[C@@]1(C#N)C(=O)NCCCNc1cccc[nH+]1 ZINC000449853127 361177742 /nfs/dbraw/zinc/17/77/42/361177742.db2.gz AUXUHEMGHZILHI-FZMZJTMJSA-N 1 2 258.325 1.550 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1cccs1 ZINC000562322716 361279836 /nfs/dbraw/zinc/27/98/36/361279836.db2.gz HMKDUANIRAYDEI-LBPRGKRZSA-N 1 2 251.355 1.251 20 30 CDEDLO C[C@@H](C(=O)NC(=O)NC1CC1)N1CCn2cc[nH+]c2C1 ZINC000329349766 361486528 /nfs/dbraw/zinc/48/65/28/361486528.db2.gz STCSDVAJZMXFPC-VIFPVBQESA-N 1 2 277.328 1.120 20 30 CDEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CCCCS2)CC1 ZINC000329355782 361488452 /nfs/dbraw/zinc/48/84/52/361488452.db2.gz ZDDFFINOYMJFGG-ZDUSSCGKSA-N 1 2 299.440 1.393 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CCC[C@@H]2OCC[C@@H]21)N1CCn2c[nH+]cc2C1 ZINC000329557743 361546713 /nfs/dbraw/zinc/54/67/13/361546713.db2.gz BZFWHNOMUZDSQN-MCIONIFRSA-N 1 2 290.367 1.570 20 30 CDEDLO O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)N1CCn2c[nH+]cc2C1 ZINC000329557743 361546716 /nfs/dbraw/zinc/54/67/16/361546716.db2.gz BZFWHNOMUZDSQN-MCIONIFRSA-N 1 2 290.367 1.570 20 30 CDEDLO N#Cc1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)nn1 ZINC000301986747 201288592 /nfs/dbraw/zinc/28/85/92/201288592.db2.gz ZKGADFMBUSFPME-LBPRGKRZSA-N 1 2 266.308 1.434 20 30 CDEDLO N#Cc1cccc(CNC(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000292619310 239269540 /nfs/dbraw/zinc/26/95/40/239269540.db2.gz XAQCTEIDQDRXAZ-UHFFFAOYSA-N 1 2 281.319 1.480 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1cccc(F)c1 ZINC000580390260 363993908 /nfs/dbraw/zinc/99/39/08/363993908.db2.gz IZISUQHIGZHWFL-CQSZACIVSA-N 1 2 263.316 1.328 20 30 CDEDLO N#Cc1nccc(NCc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000581914602 364046038 /nfs/dbraw/zinc/04/60/38/364046038.db2.gz NXDHQZMVQPPBOV-UHFFFAOYSA-N 1 2 280.335 1.377 20 30 CDEDLO C#CC[N@H+](Cc1nnc2n1CCOC2)C1CCCCC1 ZINC000491325395 364962433 /nfs/dbraw/zinc/96/24/33/364962433.db2.gz CCOGBTOLAGEZIM-UHFFFAOYSA-N 1 2 274.368 1.576 20 30 CDEDLO C#CC[N@@H+](Cc1nnc2n1CCOC2)C1CCCCC1 ZINC000491325395 364962444 /nfs/dbraw/zinc/96/24/44/364962444.db2.gz CCOGBTOLAGEZIM-UHFFFAOYSA-N 1 2 274.368 1.576 20 30 CDEDLO COCCn1cc(C[N@H+](C)CC(C)(C)C#N)cn1 ZINC000354035798 365402057 /nfs/dbraw/zinc/40/20/57/365402057.db2.gz FBQJOCVGRNVYNY-UHFFFAOYSA-N 1 2 250.346 1.511 20 30 CDEDLO COCCn1cc(C[N@@H+](C)CC(C)(C)C#N)cn1 ZINC000354035798 365402065 /nfs/dbraw/zinc/40/20/65/365402065.db2.gz FBQJOCVGRNVYNY-UHFFFAOYSA-N 1 2 250.346 1.511 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1ncn(C)n1 ZINC000275763650 193123276 /nfs/dbraw/zinc/12/32/76/193123276.db2.gz SAKWSOQKAZNSTL-NEPJUHHUSA-N 1 2 277.372 1.055 20 30 CDEDLO CC[C@H]1C[N@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1O ZINC000270857127 366938325 /nfs/dbraw/zinc/93/83/25/366938325.db2.gz HQDNLKHHDCJSPQ-ONGXEEELSA-N 1 2 279.365 1.261 20 30 CDEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1O ZINC000270857127 366938327 /nfs/dbraw/zinc/93/83/27/366938327.db2.gz HQDNLKHHDCJSPQ-ONGXEEELSA-N 1 2 279.365 1.261 20 30 CDEDLO CC(C)(F)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271048020 366960207 /nfs/dbraw/zinc/96/02/07/366960207.db2.gz NEISKIGNCBFGRW-UHFFFAOYSA-N 1 2 289.354 1.951 20 30 CDEDLO CC(=O)Nc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000567104511 370881560 /nfs/dbraw/zinc/88/15/60/370881560.db2.gz RANCDHINNIKVKY-OAHLLOKOSA-N 1 2 290.367 1.263 20 30 CDEDLO CC(=O)Nc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000567104511 370881562 /nfs/dbraw/zinc/88/15/62/370881562.db2.gz RANCDHINNIKVKY-OAHLLOKOSA-N 1 2 290.367 1.263 20 30 CDEDLO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2ncccc2F)C1=O ZINC000528823596 368003196 /nfs/dbraw/zinc/00/31/96/368003196.db2.gz LRKZGGYGQQZDCZ-CMPLNLGQSA-N 1 2 263.316 1.658 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000072906897 369148010 /nfs/dbraw/zinc/14/80/10/369148010.db2.gz YQSCKQLIMDIIGV-UHFFFAOYSA-N 1 2 285.734 1.416 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCC=C(c3ccccn3)C2)CCC1 ZINC000574288185 335007269 /nfs/dbraw/zinc/00/72/69/335007269.db2.gz LHZQCINNFJDORZ-UHFFFAOYSA-N 1 2 296.374 1.733 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCC=C(c3ccccn3)C2)CCC1 ZINC000574288185 335007270 /nfs/dbraw/zinc/00/72/70/335007270.db2.gz LHZQCINNFJDORZ-UHFFFAOYSA-N 1 2 296.374 1.733 20 30 CDEDLO Cc1nnc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)s1 ZINC000545396163 369214548 /nfs/dbraw/zinc/21/45/48/369214548.db2.gz ZHFHWWOFZHXVCI-SDBXPKJASA-N 1 2 293.396 1.306 20 30 CDEDLO C[C@@H](O)CNc1cc(N2CCC(CCC#N)CC2)nc[nH+]1 ZINC000564904738 370294408 /nfs/dbraw/zinc/29/44/08/370294408.db2.gz OCAVMXOXBFOMMW-GFCCVEGCSA-N 1 2 289.383 1.789 20 30 CDEDLO C[C@@H](O)CNc1cc(N2CCC(CCC#N)CC2)[nH+]cn1 ZINC000564904738 370294412 /nfs/dbraw/zinc/29/44/12/370294412.db2.gz OCAVMXOXBFOMMW-GFCCVEGCSA-N 1 2 289.383 1.789 20 30 CDEDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000191982536 371699838 /nfs/dbraw/zinc/69/98/38/371699838.db2.gz IHGJNBUOFIHYSJ-CQSZACIVSA-N 1 2 275.327 1.798 20 30 CDEDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000191982536 371699842 /nfs/dbraw/zinc/69/98/42/371699842.db2.gz IHGJNBUOFIHYSJ-CQSZACIVSA-N 1 2 275.327 1.798 20 30 CDEDLO CC[N@@H+](Cc1cccc(C(=O)OC)n1)C[C@H](C)C#N ZINC000577969816 372200404 /nfs/dbraw/zinc/20/04/04/372200404.db2.gz KXBWAUOXZXEAPN-LLVKDONJSA-N 1 2 261.325 1.850 20 30 CDEDLO CC[N@H+](Cc1cccc(C(=O)OC)n1)C[C@H](C)C#N ZINC000577969816 372200408 /nfs/dbraw/zinc/20/04/08/372200408.db2.gz KXBWAUOXZXEAPN-LLVKDONJSA-N 1 2 261.325 1.850 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(CC)cc2)CC1 ZINC000174316603 372571517 /nfs/dbraw/zinc/57/15/17/372571517.db2.gz HGQHMJBMYIMCKZ-HNNXBMFYSA-N 1 2 299.418 1.509 20 30 CDEDLO Cc1cc(NC2CCN(C(=O)C3CC3)CC2)c(C#N)c[nH+]1 ZINC000333424176 205309490 /nfs/dbraw/zinc/30/94/90/205309490.db2.gz JRFVWHCDLPWBQJ-UHFFFAOYSA-N 1 2 284.363 1.497 20 30 CDEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1nncn1C ZINC000050419516 373139037 /nfs/dbraw/zinc/13/90/37/373139037.db2.gz ULYYYEXKIQJMCU-VIFPVBQESA-N 1 2 259.288 1.677 20 30 CDEDLO CC[N@H+](CC#Cc1cccc(Cl)c1)CC(N)=O ZINC000191715451 373527526 /nfs/dbraw/zinc/52/75/26/373527526.db2.gz ATJKPJJBPIPMCL-UHFFFAOYSA-N 1 2 250.729 1.499 20 30 CDEDLO CC[N@@H+](CC#Cc1cccc(Cl)c1)CC(N)=O ZINC000191715451 373527540 /nfs/dbraw/zinc/52/75/40/373527540.db2.gz ATJKPJJBPIPMCL-UHFFFAOYSA-N 1 2 250.729 1.499 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000103139760 373831973 /nfs/dbraw/zinc/83/19/73/373831973.db2.gz FIMIPHRKYRPOFE-OAHLLOKOSA-N 1 2 287.338 1.940 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000103139760 373831983 /nfs/dbraw/zinc/83/19/83/373831983.db2.gz FIMIPHRKYRPOFE-OAHLLOKOSA-N 1 2 287.338 1.940 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1c[nH]nc1C ZINC000639967699 373881793 /nfs/dbraw/zinc/88/17/93/373881793.db2.gz MXTZWGVALTVILU-CYBMUJFWSA-N 1 2 276.384 1.739 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1c[nH]nc1C ZINC000639967699 373881800 /nfs/dbraw/zinc/88/18/00/373881800.db2.gz MXTZWGVALTVILU-CYBMUJFWSA-N 1 2 276.384 1.739 20 30 CDEDLO C=CCCC1(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000341750115 373944253 /nfs/dbraw/zinc/94/42/53/373944253.db2.gz KVDUQWHQCXWOOX-KBPBESRZSA-N 1 2 278.396 1.664 20 30 CDEDLO C=CCCC1(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000341750115 373944260 /nfs/dbraw/zinc/94/42/60/373944260.db2.gz KVDUQWHQCXWOOX-KBPBESRZSA-N 1 2 278.396 1.664 20 30 CDEDLO C[C@H](C(=O)NCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000359986908 373996591 /nfs/dbraw/zinc/99/65/91/373996591.db2.gz UAWGKQCBARBNKC-LBPRGKRZSA-N 1 2 268.320 1.675 20 30 CDEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](CO)C2)c(C#N)c1C ZINC000051887496 374024580 /nfs/dbraw/zinc/02/45/80/374024580.db2.gz DAYWSELYWREPBT-NSHDSACASA-N 1 2 293.392 1.489 20 30 CDEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](CO)C2)c(C#N)c1C ZINC000051887496 374024587 /nfs/dbraw/zinc/02/45/87/374024587.db2.gz DAYWSELYWREPBT-NSHDSACASA-N 1 2 293.392 1.489 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3cccnc3C#N)CC2)on1 ZINC000274151042 374139542 /nfs/dbraw/zinc/13/95/42/374139542.db2.gz YIUGYBDEUOSTPR-UHFFFAOYSA-N 1 2 283.335 1.572 20 30 CDEDLO C=CCCN(C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000342432843 374198949 /nfs/dbraw/zinc/19/89/49/374198949.db2.gz FIRQQVPLAQIYGW-OLZOCXBDSA-N 1 2 269.389 1.313 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000368820069 374329475 /nfs/dbraw/zinc/32/94/75/374329475.db2.gz AONQAVRNMCYAEP-HNNXBMFYSA-N 1 2 257.337 1.075 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000368820069 374329479 /nfs/dbraw/zinc/32/94/79/374329479.db2.gz AONQAVRNMCYAEP-HNNXBMFYSA-N 1 2 257.337 1.075 20 30 CDEDLO N#Cc1ccccc1OC[C@H](O)CN1CCn2c[nH+]cc2C1 ZINC000528506227 374448194 /nfs/dbraw/zinc/44/81/94/374448194.db2.gz GIYSLQSZQKWDRD-OAHLLOKOSA-N 1 2 298.346 1.010 20 30 CDEDLO Cn1nc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c2ccccc21 ZINC000574523119 335026701 /nfs/dbraw/zinc/02/67/01/335026701.db2.gz KLIQQECYTRKUEF-MRXNPFEDSA-N 1 2 299.378 1.076 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)o1 ZINC000376328211 374551123 /nfs/dbraw/zinc/55/11/23/374551123.db2.gz QKKZCOVDZCEIDG-JTQLQIEISA-N 1 2 292.320 1.400 20 30 CDEDLO COC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000378355511 374642125 /nfs/dbraw/zinc/64/21/25/374642125.db2.gz OUEJDXIHJKMKQC-UHFFFAOYSA-N 1 2 256.305 1.820 20 30 CDEDLO COC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000378355511 374642128 /nfs/dbraw/zinc/64/21/28/374642128.db2.gz OUEJDXIHJKMKQC-UHFFFAOYSA-N 1 2 256.305 1.820 20 30 CDEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000092843099 374704248 /nfs/dbraw/zinc/70/42/48/374704248.db2.gz FGGNGTRSJBBMQT-CQSZACIVSA-N 1 2 293.392 1.072 20 30 CDEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000092843099 374704254 /nfs/dbraw/zinc/70/42/54/374704254.db2.gz FGGNGTRSJBBMQT-CQSZACIVSA-N 1 2 293.392 1.072 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277355846 374783931 /nfs/dbraw/zinc/78/39/31/374783931.db2.gz WXKVAHWQMIWQSV-FKIZINRSSA-N 1 2 292.404 1.910 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277355846 374783935 /nfs/dbraw/zinc/78/39/35/374783935.db2.gz WXKVAHWQMIWQSV-FKIZINRSSA-N 1 2 292.404 1.910 20 30 CDEDLO Cn1cnc2c(c1=O)CC[N@H+](Cc1cccc(C#N)c1F)C2 ZINC000332524406 375035668 /nfs/dbraw/zinc/03/56/68/375035668.db2.gz RBWINMNNSBJKEH-UHFFFAOYSA-N 1 2 298.321 1.349 20 30 CDEDLO Cn1cnc2c(c1=O)CC[N@@H+](Cc1cccc(C#N)c1F)C2 ZINC000332524406 375035672 /nfs/dbraw/zinc/03/56/72/375035672.db2.gz RBWINMNNSBJKEH-UHFFFAOYSA-N 1 2 298.321 1.349 20 30 CDEDLO N#Cc1cccc(CNC(=O)NCCCn2cc[nH+]c2)c1 ZINC000047597194 375225795 /nfs/dbraw/zinc/22/57/95/375225795.db2.gz KXNDEXMHILZWTA-UHFFFAOYSA-N 1 2 283.335 1.644 20 30 CDEDLO C=CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000047606217 375231567 /nfs/dbraw/zinc/23/15/67/375231567.db2.gz HACCVUGJSZJASI-OAHLLOKOSA-N 1 2 289.379 1.545 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCOC[C@H]1c1cccn1C ZINC000131897509 375461275 /nfs/dbraw/zinc/46/12/75/375461275.db2.gz ZKLIDKVCBHTKTE-HIFRSBDPSA-N 1 2 264.369 1.726 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCOC[C@H]1c1cccn1C ZINC000131897509 375461277 /nfs/dbraw/zinc/46/12/77/375461277.db2.gz ZKLIDKVCBHTKTE-HIFRSBDPSA-N 1 2 264.369 1.726 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000425312137 375843950 /nfs/dbraw/zinc/84/39/50/375843950.db2.gz JLMKMMNZKJAMHZ-ZDUSSCGKSA-N 1 2 296.411 1.590 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000425312137 375843956 /nfs/dbraw/zinc/84/39/56/375843956.db2.gz JLMKMMNZKJAMHZ-ZDUSSCGKSA-N 1 2 296.411 1.590 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCCC(=O)N1 ZINC000328772666 375953104 /nfs/dbraw/zinc/95/31/04/375953104.db2.gz DJAQRYHYOYKOBH-WDEREUQCSA-N 1 2 269.345 1.173 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCCC(=O)N1 ZINC000328772666 375953111 /nfs/dbraw/zinc/95/31/11/375953111.db2.gz DJAQRYHYOYKOBH-WDEREUQCSA-N 1 2 269.345 1.173 20 30 CDEDLO CC1=CCCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000328598764 375919244 /nfs/dbraw/zinc/91/92/44/375919244.db2.gz BKMHCCVSPIKSHT-LBPRGKRZSA-N 1 2 260.341 1.764 20 30 CDEDLO CC1=CCCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000328598764 375919249 /nfs/dbraw/zinc/91/92/49/375919249.db2.gz BKMHCCVSPIKSHT-LBPRGKRZSA-N 1 2 260.341 1.764 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCCC(=O)N1 ZINC000328697065 375930618 /nfs/dbraw/zinc/93/06/18/375930618.db2.gz HBCWKHDMTRZUAI-GHMZBOCLSA-N 1 2 269.345 1.173 20 30 CDEDLO O=C(NCCOCC1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328894273 376004139 /nfs/dbraw/zinc/00/41/39/376004139.db2.gz ARGMGBNXZSWAEW-LBPRGKRZSA-N 1 2 263.341 1.829 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Nc1ncc(C#N)cc1Cl ZINC000171068319 376086462 /nfs/dbraw/zinc/08/64/62/376086462.db2.gz VJWFJFMKMZBYKZ-SNVBAGLBSA-N 1 2 280.759 1.739 20 30 CDEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(N)=O)CC1 ZINC000160863540 376315539 /nfs/dbraw/zinc/31/55/39/376315539.db2.gz PAWYIYXLHYAIIG-UHFFFAOYSA-N 1 2 276.315 1.330 20 30 CDEDLO C=C1CC[NH+]([C@@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000264513027 190115291 /nfs/dbraw/zinc/11/52/91/190115291.db2.gz GDDZYPORGLUPLX-VIFPVBQESA-N 1 2 250.264 1.705 20 30 CDEDLO CCC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CCO1 ZINC000132594396 377777395 /nfs/dbraw/zinc/77/73/95/377777395.db2.gz MRZHZNFQYQNDCD-LZWOXQAQSA-N 1 2 295.427 1.930 20 30 CDEDLO CCC[C@@H]1C[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CCO1 ZINC000132594396 377777405 /nfs/dbraw/zinc/77/74/05/377777405.db2.gz MRZHZNFQYQNDCD-LZWOXQAQSA-N 1 2 295.427 1.930 20 30 CDEDLO N#CC1CC[NH+](CCNS(=O)(=O)c2ccccc2)CC1 ZINC000057872958 377858039 /nfs/dbraw/zinc/85/80/39/377858039.db2.gz GMXNBPPEPGAFLQ-UHFFFAOYSA-N 1 2 293.392 1.200 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](C)C[C@@H]2C(=O)OC)C1=O ZINC000281332874 377999288 /nfs/dbraw/zinc/99/92/88/377999288.db2.gz LYDHYIZGARZNRP-RWMBFGLXSA-N 1 2 280.368 1.047 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](C)C[C@@H]2C(=O)OC)C1=O ZINC000281332874 377999295 /nfs/dbraw/zinc/99/92/95/377999295.db2.gz LYDHYIZGARZNRP-RWMBFGLXSA-N 1 2 280.368 1.047 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000192236073 378175883 /nfs/dbraw/zinc/17/58/83/378175883.db2.gz CNVRBYJHXJMTJA-UHFFFAOYSA-N 1 2 274.320 1.367 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000192236073 378175890 /nfs/dbraw/zinc/17/58/90/378175890.db2.gz CNVRBYJHXJMTJA-UHFFFAOYSA-N 1 2 274.320 1.367 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+]Cc1c(F)ccc(O)c1F ZINC000293564145 378574552 /nfs/dbraw/zinc/57/45/52/378574552.db2.gz IGIZTCXFNWJGRT-UHFFFAOYSA-N 1 2 291.319 1.361 20 30 CDEDLO O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000329416942 378752591 /nfs/dbraw/zinc/75/25/91/378752591.db2.gz FVKZPPLZMXJXAD-GFCCVEGCSA-N 1 2 276.340 1.452 20 30 CDEDLO O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000329416942 378752596 /nfs/dbraw/zinc/75/25/96/378752596.db2.gz FVKZPPLZMXJXAD-GFCCVEGCSA-N 1 2 276.340 1.452 20 30 CDEDLO C=C[C@](C)(O)CC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343344575 378718878 /nfs/dbraw/zinc/71/88/78/378718878.db2.gz PDVFETTXEMGEFN-HNNXBMFYSA-N 1 2 286.335 1.592 20 30 CDEDLO CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)CS(C)(=O)=O ZINC000171835392 285104668 /nfs/dbraw/zinc/10/46/68/285104668.db2.gz WORZFKYTXZNFKK-GFCCVEGCSA-N 1 2 280.393 1.813 20 30 CDEDLO CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CS(C)(=O)=O ZINC000171835392 285104671 /nfs/dbraw/zinc/10/46/71/285104671.db2.gz WORZFKYTXZNFKK-GFCCVEGCSA-N 1 2 280.393 1.813 20 30 CDEDLO Cc1nc(N)c(CNC(=O)C=Cc2ccc(C#N)cc2)c[nH+]1 ZINC000493635191 253513797 /nfs/dbraw/zinc/51/37/97/253513797.db2.gz UWVUFMQIDAJNOO-VOTSOKGWSA-N 1 2 293.330 1.399 20 30 CDEDLO C#CCCCc1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000288975097 197203931 /nfs/dbraw/zinc/20/39/31/197203931.db2.gz BOTJLACSLCKHMH-CHWSQXEVSA-N 1 2 275.352 1.951 20 30 CDEDLO C#CCCCc1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000288975097 197203933 /nfs/dbraw/zinc/20/39/33/197203933.db2.gz BOTJLACSLCKHMH-CHWSQXEVSA-N 1 2 275.352 1.951 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnn(C=C)c2)C1=O ZINC000281306589 195189678 /nfs/dbraw/zinc/18/96/78/195189678.db2.gz QEGMNFJIYNVFCT-ZDUSSCGKSA-N 1 2 260.341 1.202 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnn(C=C)c2)C1=O ZINC000281306589 195189680 /nfs/dbraw/zinc/18/96/80/195189680.db2.gz QEGMNFJIYNVFCT-ZDUSSCGKSA-N 1 2 260.341 1.202 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000281391248 195222394 /nfs/dbraw/zinc/22/23/94/195222394.db2.gz VGMQJYCHRCVORW-LBPRGKRZSA-N 1 2 296.330 1.863 20 30 CDEDLO Cc1nc(C2([NH2+]CC(=O)NCCC#N)CCCCC2)no1 ZINC000058341541 390499062 /nfs/dbraw/zinc/49/90/62/390499062.db2.gz CEFKFFOPAKDRRY-UHFFFAOYSA-N 1 2 291.355 1.157 20 30 CDEDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCC#N ZINC000103481768 390478813 /nfs/dbraw/zinc/47/88/13/390478813.db2.gz FUPMYNXMZRMKEP-SNVBAGLBSA-N 1 2 267.354 1.240 20 30 CDEDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CCC#N ZINC000103481768 390478816 /nfs/dbraw/zinc/47/88/16/390478816.db2.gz FUPMYNXMZRMKEP-SNVBAGLBSA-N 1 2 267.354 1.240 20 30 CDEDLO N#CCC[N@@H+](CCCOC(=O)NC(N)=O)Cc1ccco1 ZINC000121177420 390881731 /nfs/dbraw/zinc/88/17/31/390881731.db2.gz NCVYUQVNUIUTLI-UHFFFAOYSA-N 1 2 294.311 1.190 20 30 CDEDLO N#CCC[N@H+](CCCOC(=O)NC(N)=O)Cc1ccco1 ZINC000121177420 390881733 /nfs/dbraw/zinc/88/17/33/390881733.db2.gz NCVYUQVNUIUTLI-UHFFFAOYSA-N 1 2 294.311 1.190 20 30 CDEDLO Cn1c[nH+]cc1CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000121606301 390889656 /nfs/dbraw/zinc/88/96/56/390889656.db2.gz QNAGNGNWECATOF-QGZVFWFLSA-N 1 2 295.390 1.803 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)Nc1nnc(C(C)C)s1 ZINC000293037164 391022654 /nfs/dbraw/zinc/02/26/54/391022654.db2.gz GSSREEBYSLXOKU-UHFFFAOYSA-N 1 2 266.370 1.555 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)Nc1nnc(C(C)C)s1 ZINC000293037164 391022658 /nfs/dbraw/zinc/02/26/58/391022658.db2.gz GSSREEBYSLXOKU-UHFFFAOYSA-N 1 2 266.370 1.555 20 30 CDEDLO O=C(NCCc1nccs1)C1([NH+]2CCOCC2)CCC1 ZINC000329490144 390998128 /nfs/dbraw/zinc/99/81/28/390998128.db2.gz YQWNANDLZYXVKT-UHFFFAOYSA-N 1 2 295.408 1.897 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)N[C@H]2CCCOC2)C1 ZINC000329706479 391088099 /nfs/dbraw/zinc/08/80/99/391088099.db2.gz LAEXGWMKNMBRLJ-RYUDHWBXSA-N 1 2 278.356 1.302 20 30 CDEDLO COc1cc(C[NH+]2CCN(CC#N)CC2)cc(OC)c1 ZINC000175445037 391135313 /nfs/dbraw/zinc/13/53/13/391135313.db2.gz IIRGEINLLBHXDW-UHFFFAOYSA-N 1 2 275.352 1.345 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000352432762 391135446 /nfs/dbraw/zinc/13/54/46/391135446.db2.gz NDHCURNMONVNHE-SQWLQELKSA-N 1 2 298.427 1.441 20 30 CDEDLO CS(=O)(=O)CC1(C[NH+]2CCC(F)(C#N)CC2)CC1 ZINC000352485012 391155276 /nfs/dbraw/zinc/15/52/76/391155276.db2.gz WNAMJBFMJFBTPB-UHFFFAOYSA-N 1 2 274.361 1.139 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(C)(O)CC1 ZINC000177329641 533366781 /nfs/dbraw/zinc/36/67/81/533366781.db2.gz DQDQIVNDHWUTAW-AWEZNQCLSA-N 1 2 288.347 1.619 20 30 CDEDLO Cc1cn2cc(NC(=O)N3CCO[C@@H](C#N)C3)ccc2[nH+]1 ZINC000265697303 391161308 /nfs/dbraw/zinc/16/13/08/391161308.db2.gz HEOGSPSUTPMKTM-LBPRGKRZSA-N 1 2 285.307 1.399 20 30 CDEDLO Cc1cccc2[nH+]c(CN3CCOC[C@@H]3C#N)cn21 ZINC000177116204 391164053 /nfs/dbraw/zinc/16/40/53/391164053.db2.gz SHMDHSJITVXSFD-ZDUSSCGKSA-N 1 2 256.309 1.367 20 30 CDEDLO C=C(C)[C@H](CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)OCC ZINC000345440447 391214877 /nfs/dbraw/zinc/21/48/77/391214877.db2.gz ZGYJZBGCYARQCY-CABCVRRESA-N 1 2 298.427 1.537 20 30 CDEDLO CCC[N@H+](CC#N)C[C@H]1CCO[C@H]1c1ccnn1C ZINC000343217418 391333478 /nfs/dbraw/zinc/33/34/78/391333478.db2.gz OCHGEFGICZUQPV-TZMCWYRMSA-N 1 2 262.357 1.733 20 30 CDEDLO CCC[N@@H+](CC#N)C[C@H]1CCO[C@H]1c1ccnn1C ZINC000343217418 391333479 /nfs/dbraw/zinc/33/34/79/391333479.db2.gz OCHGEFGICZUQPV-TZMCWYRMSA-N 1 2 262.357 1.733 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCC(C)(C)[NH+]1CCOCC1)OCC ZINC000339432554 391300044 /nfs/dbraw/zinc/30/00/44/391300044.db2.gz GROUIYNNUYLYGV-CQSZACIVSA-N 1 2 298.427 1.585 20 30 CDEDLO C=CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339678720 391321895 /nfs/dbraw/zinc/32/18/95/391321895.db2.gz SEHQZEWWSZCSNK-HNNXBMFYSA-N 1 2 288.391 1.922 20 30 CDEDLO C=C[C@H](C)NC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000416685153 391327434 /nfs/dbraw/zinc/32/74/34/391327434.db2.gz AQWFHOLKHJOJDE-LBPRGKRZSA-N 1 2 284.363 1.942 20 30 CDEDLO C=CCN1CC[C@@H]([NH2+][C@H](C)c2nc(C(C)(C)C)no2)C1=O ZINC000330378542 391408925 /nfs/dbraw/zinc/40/89/25/391408925.db2.gz GCCSZLFLBMVSDP-GHMZBOCLSA-N 1 2 292.383 1.805 20 30 CDEDLO N#CCCN(CCc1cncs1)CC[NH+]1CCOCC1 ZINC000411310629 391429385 /nfs/dbraw/zinc/42/93/85/391429385.db2.gz VAHZEBBLWZFVSQ-UHFFFAOYSA-N 1 2 294.424 1.233 20 30 CDEDLO Cc1ocnc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330615992 391459443 /nfs/dbraw/zinc/45/94/43/391459443.db2.gz DAZYHQKVXZPSOX-VIFPVBQESA-N 1 2 253.302 1.008 20 30 CDEDLO Cc1ocnc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330615992 391459445 /nfs/dbraw/zinc/45/94/45/391459445.db2.gz DAZYHQKVXZPSOX-VIFPVBQESA-N 1 2 253.302 1.008 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000335837901 391589218 /nfs/dbraw/zinc/58/92/18/391589218.db2.gz HODVFUUPFFXMBW-SNVBAGLBSA-N 1 2 260.341 1.838 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H](C)C1CCSCC1)C(=O)OC ZINC000361114956 391683748 /nfs/dbraw/zinc/68/37/48/391683748.db2.gz VETWWDYUUIMEHT-AAEUAGOBSA-N 1 2 287.425 1.852 20 30 CDEDLO C=CCOC[C@H]([NH2+]C[C@H]1CC=CCC1)C(=O)OC ZINC000361113250 391683947 /nfs/dbraw/zinc/68/39/47/391683947.db2.gz LGPRXZZFXJVBEI-STQMWFEESA-N 1 2 253.342 1.677 20 30 CDEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000102823090 391748412 /nfs/dbraw/zinc/74/84/12/391748412.db2.gz WLEKIPMVYJDVJW-CYBMUJFWSA-N 1 2 261.300 1.602 20 30 CDEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000102823090 391748416 /nfs/dbraw/zinc/74/84/16/391748416.db2.gz WLEKIPMVYJDVJW-CYBMUJFWSA-N 1 2 261.300 1.602 20 30 CDEDLO O=C(N[C@@H](CO)C1CCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329747928 391769532 /nfs/dbraw/zinc/76/95/32/391769532.db2.gz SRFGBQXSBJRLEK-JSGCOSHPSA-N 1 2 277.368 1.953 20 30 CDEDLO C[C@@H]1C[C@H](O)CN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000329909722 391797630 /nfs/dbraw/zinc/79/76/30/391797630.db2.gz MSAZRTVWQXPJKN-WOPDTQHZSA-N 1 2 278.356 1.130 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000192220558 130396283 /nfs/dbraw/zinc/39/62/83/130396283.db2.gz XVOORJMFTAMRAO-MRXNPFEDSA-N 1 2 256.349 1.819 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000192220558 130396285 /nfs/dbraw/zinc/39/62/85/130396285.db2.gz XVOORJMFTAMRAO-MRXNPFEDSA-N 1 2 256.349 1.819 20 30 CDEDLO COc1ccc(C[N@@H+]2C[C@H](CO)OC(C)(C)C2)cc1C#N ZINC000163116262 391902473 /nfs/dbraw/zinc/90/24/73/391902473.db2.gz YGMAWNONOWPBQE-CQSZACIVSA-N 1 2 290.363 1.539 20 30 CDEDLO COc1ccc(C[N@H+]2C[C@H](CO)OC(C)(C)C2)cc1C#N ZINC000163116262 391902477 /nfs/dbraw/zinc/90/24/77/391902477.db2.gz YGMAWNONOWPBQE-CQSZACIVSA-N 1 2 290.363 1.539 20 30 CDEDLO C[C@H](O)CNc1cc(NCCc2cccc(C#N)c2)[nH+]cn1 ZINC000413268382 392832344 /nfs/dbraw/zinc/83/23/44/392832344.db2.gz MKZPTPUXQBABQQ-LBPRGKRZSA-N 1 2 297.362 1.217 20 30 CDEDLO C[C@H](O)CNc1cc(NCCc2cccc(C#N)c2)nc[nH+]1 ZINC000413268382 392832348 /nfs/dbraw/zinc/83/23/48/392832348.db2.gz MKZPTPUXQBABQQ-LBPRGKRZSA-N 1 2 297.362 1.217 20 30 CDEDLO Cc1cc(N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)c(C#N)c[nH+]1 ZINC000425223835 392997899 /nfs/dbraw/zinc/99/78/99/392997899.db2.gz IXKDSMBEXWNVDH-OCCSQVGLSA-N 1 2 286.379 1.743 20 30 CDEDLO Cc1cc(N2CCC3(CCN(C)C3=O)CC2)c(C#N)c[nH+]1 ZINC000425259980 393009410 /nfs/dbraw/zinc/00/94/10/393009410.db2.gz NOADRDHUCIGWFP-UHFFFAOYSA-N 1 2 284.363 1.710 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000534308485 393096608 /nfs/dbraw/zinc/09/66/08/393096608.db2.gz NVIXLMPOVTUTLI-CQSZACIVSA-N 1 2 285.347 1.373 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000534308485 393096623 /nfs/dbraw/zinc/09/66/23/393096623.db2.gz NVIXLMPOVTUTLI-CQSZACIVSA-N 1 2 285.347 1.373 20 30 CDEDLO Cn1cc[nH+]c1CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000069453969 134942471 /nfs/dbraw/zinc/94/24/71/134942471.db2.gz ISLWYWZBRUFJHI-UHFFFAOYSA-N 1 2 299.353 1.753 20 30 CDEDLO Cc1n[nH]cc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000091936911 135074580 /nfs/dbraw/zinc/07/45/80/135074580.db2.gz YSZZVFQSVHJEET-NSHDSACASA-N 1 2 297.366 1.091 20 30 CDEDLO Cc1n[nH]cc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000091936911 135074582 /nfs/dbraw/zinc/07/45/82/135074582.db2.gz YSZZVFQSVHJEET-NSHDSACASA-N 1 2 297.366 1.091 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000230338635 140211044 /nfs/dbraw/zinc/21/10/44/140211044.db2.gz HTZHSECAEBAXRH-VIFPVBQESA-N 1 2 297.405 1.135 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000230338635 140211046 /nfs/dbraw/zinc/21/10/46/140211046.db2.gz HTZHSECAEBAXRH-VIFPVBQESA-N 1 2 297.405 1.135 20 30 CDEDLO N#Cc1cccc(CNC(=O)COCc2[nH]cc[nH+]2)c1 ZINC000346717874 141863907 /nfs/dbraw/zinc/86/39/07/141863907.db2.gz TVCVIGAZAJWBLF-UHFFFAOYSA-N 1 2 270.292 1.114 20 30 CDEDLO C=CCCNc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000664226676 413159688 /nfs/dbraw/zinc/15/96/88/413159688.db2.gz PXIMBEPWSVMZQZ-UHFFFAOYSA-N 1 2 262.357 1.816 20 30 CDEDLO C=CCCNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000664226676 413159700 /nfs/dbraw/zinc/15/97/00/413159700.db2.gz PXIMBEPWSVMZQZ-UHFFFAOYSA-N 1 2 262.357 1.816 20 30 CDEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000181350084 148192205 /nfs/dbraw/zinc/19/22/05/148192205.db2.gz ACPBTMNZDUCQGB-GFCCVEGCSA-N 1 2 297.362 1.715 20 30 CDEDLO COc1c(C)c[nH+]c(Cn2cncc(C#N)c2=O)c1C ZINC000289383158 286183408 /nfs/dbraw/zinc/18/34/08/286183408.db2.gz PTXMRLXNEPDJBG-UHFFFAOYSA-N 1 2 270.292 1.184 20 30 CDEDLO N#Cc1cccc(NC(=O)N2CCn3cc[nH+]c3C2)c1 ZINC000335839259 151064147 /nfs/dbraw/zinc/06/41/47/151064147.db2.gz XHAXRKVTUMEKOX-UHFFFAOYSA-N 1 2 267.292 1.802 20 30 CDEDLO CC(=O)N1CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000336099675 151267484 /nfs/dbraw/zinc/26/74/84/151267484.db2.gz PZSUOQLKXNOIDY-UHFFFAOYSA-N 1 2 257.337 1.531 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000284753760 196124770 /nfs/dbraw/zinc/12/47/70/196124770.db2.gz VVUOLYISPDYENP-BRWVUGGUSA-N 1 2 286.375 1.920 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000284753760 196124772 /nfs/dbraw/zinc/12/47/72/196124772.db2.gz VVUOLYISPDYENP-BRWVUGGUSA-N 1 2 286.375 1.920 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCOc2ccc(C)cc2C1 ZINC000285471759 196295502 /nfs/dbraw/zinc/29/55/02/196295502.db2.gz HOLRRIHFSJOEGC-ZDUSSCGKSA-N 1 2 274.364 1.880 20 30 CDEDLO C#CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC001588349694 1173051605 /nfs/dbraw/zinc/05/16/05/1173051605.db2.gz VXBMCFTZTOCJDC-UHFFFAOYSA-N 1 2 293.277 1.533 20 30 CDEDLO C=CC[N@H+](CC(=O)Nc1cc(C)no1)[C@H](C)COC ZINC000661242853 413911109 /nfs/dbraw/zinc/91/11/09/413911109.db2.gz GJBOUWIIJRYSBC-LLVKDONJSA-N 1 2 267.329 1.444 20 30 CDEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)no1)[C@H](C)COC ZINC000661242853 413911116 /nfs/dbraw/zinc/91/11/16/413911116.db2.gz GJBOUWIIJRYSBC-LLVKDONJSA-N 1 2 267.329 1.444 20 30 CDEDLO N#Cc1ccc(NCC[NH+]2CCOCC2)cc1Cl ZINC000037393444 173173444 /nfs/dbraw/zinc/17/34/44/173173444.db2.gz QWWFZZKZMVJZRZ-UHFFFAOYSA-N 1 2 265.744 1.956 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2cccc(C(N)=O)c2)nn1 ZINC000657298563 414134454 /nfs/dbraw/zinc/13/44/54/414134454.db2.gz TVKQSZDCQZOISF-UHFFFAOYSA-N 1 2 285.351 1.243 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@H](CO)CC(F)(F)F)nn1 ZINC000657419140 414307738 /nfs/dbraw/zinc/30/77/38/414307738.db2.gz PYYMANATMSUKEJ-VIFPVBQESA-N 1 2 278.278 1.257 20 30 CDEDLO CC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000071140397 176038329 /nfs/dbraw/zinc/03/83/29/176038329.db2.gz FUGPJTJQTXWVHO-UHFFFAOYSA-N 1 2 297.355 1.024 20 30 CDEDLO C[C@H](CNC(=O)[C@H]1CCCOCC1)[NH+]1CCOCC1 ZINC000330273290 228088010 /nfs/dbraw/zinc/08/80/10/228088010.db2.gz YYIFALZPVYBHJI-OLZOCXBDSA-N 1 2 270.373 1.480 20 30 CDEDLO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCOCC2(CC2)C1 ZINC000330287301 228093235 /nfs/dbraw/zinc/09/32/35/228093235.db2.gz CGTJDAODLFGEIN-LBPRGKRZSA-N 1 2 290.367 1.224 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCOC2(CCCC2)C1 ZINC000370686033 260107735 /nfs/dbraw/zinc/10/77/35/260107735.db2.gz NCADSOFOTUMCNB-OAHLLOKOSA-N 1 2 293.411 1.686 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCOC2(CCCC2)C1 ZINC000370686033 260107738 /nfs/dbraw/zinc/10/77/38/260107738.db2.gz NCADSOFOTUMCNB-OAHLLOKOSA-N 1 2 293.411 1.686 20 30 CDEDLO CCN(C1CC[NH+](CC2(C#N)CC2)CC1)S(C)(=O)=O ZINC000408109111 260235453 /nfs/dbraw/zinc/23/54/53/260235453.db2.gz DFFATUBALOLRNL-UHFFFAOYSA-N 1 2 285.413 1.036 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C ZINC000521063071 260341232 /nfs/dbraw/zinc/34/12/32/260341232.db2.gz IUHYBCCXWNOZAB-DGCLKSJQSA-N 1 2 250.346 1.323 20 30 CDEDLO N#CCN1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000092936240 260504858 /nfs/dbraw/zinc/50/48/58/260504858.db2.gz WDCZEQXSYJVHQO-UHFFFAOYSA-N 1 2 285.395 1.323 20 30 CDEDLO CCNC(=O)C(C)(C)C/[NH+]=C/c1ccc(O)c(O)c1O ZINC000157190513 261142393 /nfs/dbraw/zinc/14/23/93/261142393.db2.gz YUANNNBVWHVXNT-VIZOYTHASA-N 1 2 280.324 1.385 20 30 CDEDLO C=C(C)CN(CC)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000105299807 261308937 /nfs/dbraw/zinc/30/89/37/261308937.db2.gz IYIODVYMSDFSSH-KBPBESRZSA-N 1 2 283.416 1.703 20 30 CDEDLO Cc1cc(N)nc(SCC(=O)N[C@@](C)(C#N)C2CC2)[nH+]1 ZINC000007048948 261376861 /nfs/dbraw/zinc/37/68/61/261376861.db2.gz UBPCRMJPMLCDOQ-ZDUSSCGKSA-N 1 2 291.380 1.268 20 30 CDEDLO C#CCN(C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000491230412 261380697 /nfs/dbraw/zinc/38/06/97/261380697.db2.gz MVLINRNLECQUSA-UHFFFAOYSA-N 1 2 282.347 1.706 20 30 CDEDLO C[C@H](CNC(=O)c1ccccc1OCC#N)Cn1cc[nH+]c1 ZINC000176397460 261651980 /nfs/dbraw/zinc/65/19/80/261651980.db2.gz DVWFCRJCPACNJH-CYBMUJFWSA-N 1 2 298.346 1.852 20 30 CDEDLO CC[C@H](CC#N)NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000183914893 261997501 /nfs/dbraw/zinc/99/75/01/261997501.db2.gz CCOGGARIQIDNJJ-GFCCVEGCSA-N 1 2 269.308 1.689 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000336687742 262380081 /nfs/dbraw/zinc/38/00/81/262380081.db2.gz AAERRHPHNSGQTD-RKDXNWHRSA-N 1 2 263.263 1.241 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000336687742 262380082 /nfs/dbraw/zinc/38/00/82/262380082.db2.gz AAERRHPHNSGQTD-RKDXNWHRSA-N 1 2 263.263 1.241 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000034651924 262383679 /nfs/dbraw/zinc/38/36/79/262383679.db2.gz OAOJIPDGGZJLHF-CYBMUJFWSA-N 1 2 259.309 1.143 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000034651924 262383678 /nfs/dbraw/zinc/38/36/78/262383678.db2.gz OAOJIPDGGZJLHF-CYBMUJFWSA-N 1 2 259.309 1.143 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000336801092 262395185 /nfs/dbraw/zinc/39/51/85/262395185.db2.gz OUCHLSYMGURRQO-NXEZZACHSA-N 1 2 277.290 1.631 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000336801092 262395186 /nfs/dbraw/zinc/39/51/86/262395186.db2.gz OUCHLSYMGURRQO-NXEZZACHSA-N 1 2 277.290 1.631 20 30 CDEDLO CC1(C#N)CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000272595298 263007389 /nfs/dbraw/zinc/00/73/89/263007389.db2.gz QBVCWIQIYTVQCQ-UHFFFAOYSA-N 1 2 296.374 1.800 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)NCCCC#N ZINC000273382967 263016237 /nfs/dbraw/zinc/01/62/37/263016237.db2.gz SZVXJIAUPZYBBD-UHFFFAOYSA-N 1 2 285.351 1.948 20 30 CDEDLO CCOCC[C@@H](O)C[N@H+](CCC#N)Cc1ccco1 ZINC000277578454 263041999 /nfs/dbraw/zinc/04/19/99/263041999.db2.gz BZNBXMPJQKFGKL-CYBMUJFWSA-N 1 2 266.341 1.783 20 30 CDEDLO CCOCC[C@@H](O)C[N@@H+](CCC#N)Cc1ccco1 ZINC000277578454 263042000 /nfs/dbraw/zinc/04/20/00/263042000.db2.gz BZNBXMPJQKFGKL-CYBMUJFWSA-N 1 2 266.341 1.783 20 30 CDEDLO CCc1ccccc1CCO[NH+]=C(N)C(C)(C)NC(C)=O ZINC000277612759 263042426 /nfs/dbraw/zinc/04/24/26/263042426.db2.gz NQBWKXFOLLOYHT-UHFFFAOYSA-N 1 2 291.395 1.995 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CC(C)(C#N)C1 ZINC000280557428 263062924 /nfs/dbraw/zinc/06/29/24/263062924.db2.gz UYBUGYHTXQUJMB-UHFFFAOYSA-N 1 2 268.320 1.717 20 30 CDEDLO C=CCN1CC[C@H](O[NH+]=C(N)c2cccc(Cl)c2)C1=O ZINC000283579717 263083490 /nfs/dbraw/zinc/08/34/90/263083490.db2.gz QXRGODNNCURWFR-LBPRGKRZSA-N 1 2 293.754 1.764 20 30 CDEDLO COC(=O)c1ccc(CO[NH+]=C(N)[C@H]2CCCO2)cc1F ZINC000283757679 263084145 /nfs/dbraw/zinc/08/41/45/263084145.db2.gz APMWKASKQZZRAB-GFCCVEGCSA-N 1 2 296.298 1.580 20 30 CDEDLO NC(=[NH+]OCc1cccc(Cl)n1)[C@H]1CCCO1 ZINC000284101661 263085975 /nfs/dbraw/zinc/08/59/75/263085975.db2.gz LEXWYTJCSMEMBM-SECBINFHSA-N 1 2 255.705 1.703 20 30 CDEDLO C[C@@H](O[NH+]=C(N)[C@@H]1CCCO1)C(=O)Nc1ccccc1 ZINC000284591693 263087504 /nfs/dbraw/zinc/08/75/04/263087504.db2.gz YAYRLWHDWKXVHN-PWSUYJOCSA-N 1 2 277.324 1.481 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)O[NH+]=C(N)[C@H]1CCCO1 ZINC000284591555 263087528 /nfs/dbraw/zinc/08/75/28/263087528.db2.gz XZJWEFFWBCXURB-VXGBXAGGSA-N 1 2 283.372 1.267 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000285020546 263089463 /nfs/dbraw/zinc/08/94/63/263089463.db2.gz OGWTYEMZDGJHKL-MRXNPFEDSA-N 1 2 286.379 1.666 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000285639671 263094808 /nfs/dbraw/zinc/09/48/08/263094808.db2.gz XUOAUXDOQMKHPE-INIZCTEOSA-N 1 2 286.379 1.666 20 30 CDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCC[C@H](O)c1ccccc1 ZINC000288738361 263105636 /nfs/dbraw/zinc/10/56/36/263105636.db2.gz XAHAYWBYPDFOGX-ZDUSSCGKSA-N 1 2 293.367 1.314 20 30 CDEDLO C=CCN1CC[C@@H](O[NH+]=C(N)[C@H](C)OCC(C)C)C1=O ZINC000289330532 263109273 /nfs/dbraw/zinc/10/92/73/263109273.db2.gz DNASOIJAXPSERH-NWDGAFQWSA-N 1 2 283.372 1.123 20 30 CDEDLO C=C(C)C[N@@H+](CC)CC(=O)NC(=O)c1ccc(OC)cc1 ZINC000119871194 263278106 /nfs/dbraw/zinc/27/81/06/263278106.db2.gz NPNCYKNCUSCORD-UHFFFAOYSA-N 1 2 290.363 1.850 20 30 CDEDLO COCC1(C#N)CC[NH+](CC(=O)NCc2ccco2)CC1 ZINC000341980122 263369679 /nfs/dbraw/zinc/36/96/79/263369679.db2.gz CFLPNDMOSRPSGC-UHFFFAOYSA-N 1 2 291.351 1.148 20 30 CDEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C[C@@H](C)O1 ZINC000330705462 264019575 /nfs/dbraw/zinc/01/95/75/264019575.db2.gz SDYIIRBRHGKXEP-IXYNUQLISA-N 1 2 295.427 1.929 20 30 CDEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C[C@@H](C)O1 ZINC000330705462 264019577 /nfs/dbraw/zinc/01/95/77/264019577.db2.gz SDYIIRBRHGKXEP-IXYNUQLISA-N 1 2 295.427 1.929 20 30 CDEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cn1 ZINC000330849298 264067358 /nfs/dbraw/zinc/06/73/58/264067358.db2.gz PSCOLBCOHUPQFD-MWLCHTKSSA-N 1 2 278.743 1.955 20 30 CDEDLO C[C@H](CNC(=O)C1=CCOCC1)[NH+]1CCOCC1 ZINC000330987422 264103934 /nfs/dbraw/zinc/10/39/34/264103934.db2.gz QKGKOOFBTPUMFT-LLVKDONJSA-N 1 2 254.330 1.010 20 30 CDEDLO Cc1ncc(C(=O)NC(C)(C)C[NH+]2CCOCC2)[nH]1 ZINC000331334316 264193117 /nfs/dbraw/zinc/19/31/17/264193117.db2.gz IMDMJZOSSUFQQZ-UHFFFAOYSA-N 1 2 266.345 1.134 20 30 CDEDLO CC[C@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000424963547 264399084 /nfs/dbraw/zinc/39/90/84/264399084.db2.gz DKKXESCFQWTLFA-LJISPDSOSA-N 1 2 293.411 1.684 20 30 CDEDLO CC[C@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)[N@H+]1CCO[C@@H](CC)C1 ZINC000424963547 264399086 /nfs/dbraw/zinc/39/90/86/264399086.db2.gz DKKXESCFQWTLFA-LJISPDSOSA-N 1 2 293.411 1.684 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2C[C@H](O)C(C)(C)C2)nn1 ZINC000653650141 424391396 /nfs/dbraw/zinc/39/13/96/424391396.db2.gz OZTURBXGIJUMLI-LBPRGKRZSA-N 1 2 250.346 1.057 20 30 CDEDLO C=CCCn1cc(C[N@H+]2C[C@H](O)C(C)(C)C2)nn1 ZINC000653650141 424391402 /nfs/dbraw/zinc/39/14/02/424391402.db2.gz OZTURBXGIJUMLI-LBPRGKRZSA-N 1 2 250.346 1.057 20 30 CDEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000357838039 266374453 /nfs/dbraw/zinc/37/44/53/266374453.db2.gz VHMKMGYYKGUEHI-JTQLQIEISA-N 1 2 276.340 1.095 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000358970565 266515476 /nfs/dbraw/zinc/51/54/76/266515476.db2.gz DKGIYLIKIWKEOK-CHWSQXEVSA-N 1 2 269.389 1.361 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000358970565 266515479 /nfs/dbraw/zinc/51/54/79/266515479.db2.gz DKGIYLIKIWKEOK-CHWSQXEVSA-N 1 2 269.389 1.361 20 30 CDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000368513459 267178601 /nfs/dbraw/zinc/17/86/01/267178601.db2.gz FDPKHOZIIFOSKM-CYBMUJFWSA-N 1 2 298.390 1.606 20 30 CDEDLO N#CCSCC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000370544821 267328076 /nfs/dbraw/zinc/32/80/76/267328076.db2.gz ARCHZYIGNUSSMV-OLZOCXBDSA-N 1 2 297.424 1.003 20 30 CDEDLO C#CC[NH+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000269390288 276784303 /nfs/dbraw/zinc/78/43/03/276784303.db2.gz RUQASCBTQQFESO-UHFFFAOYSA-N 1 2 280.715 1.398 20 30 CDEDLO CC[N@@H+](CC(=O)N1CCCCCC1)C[C@H](C)C#N ZINC000042287641 279049535 /nfs/dbraw/zinc/04/95/35/279049535.db2.gz XGFRISWLPCNTFK-CYBMUJFWSA-N 1 2 251.374 1.871 20 30 CDEDLO CC[N@H+](CC(=O)N1CCCCCC1)C[C@H](C)C#N ZINC000042287641 279049537 /nfs/dbraw/zinc/04/95/37/279049537.db2.gz XGFRISWLPCNTFK-CYBMUJFWSA-N 1 2 251.374 1.871 20 30 CDEDLO Cc1noc(C)c1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330314334 279247103 /nfs/dbraw/zinc/24/71/03/279247103.db2.gz PDIKGKCQTBMNMI-JTQLQIEISA-N 1 2 260.297 1.808 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)CCC1(F)F ZINC000335673175 288140478 /nfs/dbraw/zinc/14/04/78/288140478.db2.gz IDULLSOPRCCYPK-SNVBAGLBSA-N 1 2 271.311 1.526 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)CCC1(F)F ZINC000335673175 288140480 /nfs/dbraw/zinc/14/04/80/288140480.db2.gz IDULLSOPRCCYPK-SNVBAGLBSA-N 1 2 271.311 1.526 20 30 CDEDLO N#Cc1ccnc(N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000376770940 279537955 /nfs/dbraw/zinc/53/79/55/279537955.db2.gz DPQNRQTXEKTKBR-UHFFFAOYSA-N 1 2 253.309 1.991 20 30 CDEDLO Cc1n[nH]cc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000562386456 293149340 /nfs/dbraw/zinc/14/93/40/293149340.db2.gz KUQSHBHRMMIYDF-UHFFFAOYSA-N 1 2 282.351 1.307 20 30 CDEDLO N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CCc3c[nH+]cn3C1)CC2 ZINC000574639716 295032638 /nfs/dbraw/zinc/03/26/38/295032638.db2.gz CXOCFVIQYFHPLF-CQSZACIVSA-N 1 2 292.342 1.906 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1cc(F)c(F)cc1F ZINC000567995517 328001640 /nfs/dbraw/zinc/00/16/40/328001640.db2.gz MTIWPEARJOTLQK-AWEZNQCLSA-N 1 2 299.296 1.606 20 30 CDEDLO CC[C@H](CC#N)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000563366529 328059629 /nfs/dbraw/zinc/05/96/29/328059629.db2.gz ISKBDXOUJMGWHA-YPMHNXCESA-N 1 2 275.356 1.197 20 30 CDEDLO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000268386477 328184598 /nfs/dbraw/zinc/18/45/98/328184598.db2.gz PAFPDCPJQGWDLO-DOMZBBRYSA-N 1 2 290.363 1.863 20 30 CDEDLO CC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)[C@H](C)CC#N)c1 ZINC000268386477 328184600 /nfs/dbraw/zinc/18/46/00/328184600.db2.gz PAFPDCPJQGWDLO-DOMZBBRYSA-N 1 2 290.363 1.863 20 30 CDEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(C(=O)c3ccccc3O)CC2)C1 ZINC000278618951 328228415 /nfs/dbraw/zinc/22/84/15/328228415.db2.gz NFGZFAAJFMKNQQ-KBPBESRZSA-N 1 2 299.374 1.842 20 30 CDEDLO C[C@@H](O[NH+]=C(N)[C@H]1CCCO1)c1nc(C2CC2)no1 ZINC000284445991 328245947 /nfs/dbraw/zinc/24/59/47/328245947.db2.gz PQRXAPUXILJJRM-VXNVDRBHSA-N 1 2 266.301 1.476 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000331238410 328478826 /nfs/dbraw/zinc/47/88/26/328478826.db2.gz VLQMXWATMKCKLK-CYBMUJFWSA-N 1 2 282.365 1.441 20 30 CDEDLO C=CCn1cccc1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000573154953 327113496 /nfs/dbraw/zinc/11/34/96/327113496.db2.gz NQFUMEXURYZYMI-ZDUSSCGKSA-N 1 2 277.368 1.125 20 30 CDEDLO C=CCn1cccc1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000573154953 327113498 /nfs/dbraw/zinc/11/34/98/327113498.db2.gz NQFUMEXURYZYMI-ZDUSSCGKSA-N 1 2 277.368 1.125 20 30 CDEDLO NC(CN1CCOCC1)=[NH+]OCc1cccc(Cl)c1 ZINC000111182118 327277706 /nfs/dbraw/zinc/27/77/06/327277706.db2.gz BZVACOXWAOJWPO-UHFFFAOYSA-N 1 2 283.759 1.461 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccc(C#N)cc1 ZINC000565050558 327420816 /nfs/dbraw/zinc/42/08/16/327420816.db2.gz FMYMKFDRPHECLO-OAHLLOKOSA-N 1 2 270.336 1.061 20 30 CDEDLO NC(COc1ccccc1)=[NH+]OCCCCCCO ZINC000134575248 327495292 /nfs/dbraw/zinc/49/52/92/327495292.db2.gz JHRGALABCVXDDN-UHFFFAOYSA-N 1 2 266.341 1.907 20 30 CDEDLO C=CCOCCCC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374329018 328992095 /nfs/dbraw/zinc/99/20/95/328992095.db2.gz DLDKZSARKMFJIS-ZDUSSCGKSA-N 1 2 277.368 1.719 20 30 CDEDLO CC#CCNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000190502507 329398631 /nfs/dbraw/zinc/39/86/31/329398631.db2.gz AIPJUSRBYVXQKF-UHFFFAOYSA-N 1 2 296.330 1.165 20 30 CDEDLO C=CCC1(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CCC1 ZINC000191293029 329411929 /nfs/dbraw/zinc/41/19/29/329411929.db2.gz OSGFXDPNTGUUSF-KBPBESRZSA-N 1 2 280.412 1.958 20 30 CDEDLO CCN(C)c1ccc(C[NH+]2CCN(CC#N)CC2)cn1 ZINC000191306129 329412554 /nfs/dbraw/zinc/41/25/54/329412554.db2.gz OTMBGNBZPURWQA-UHFFFAOYSA-N 1 2 273.384 1.179 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)C1CC1 ZINC000274138586 330103759 /nfs/dbraw/zinc/10/37/59/330103759.db2.gz JLOVLUFZUOZDGR-UHFFFAOYSA-N 1 2 271.320 1.804 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)C1CC1 ZINC000274138586 330103760 /nfs/dbraw/zinc/10/37/60/330103760.db2.gz JLOVLUFZUOZDGR-UHFFFAOYSA-N 1 2 271.320 1.804 20 30 CDEDLO C=CCCOCCNC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000454710849 331152010 /nfs/dbraw/zinc/15/20/10/331152010.db2.gz FSVBZYNPFVRMPX-NWDGAFQWSA-N 1 2 278.356 1.781 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)NCC(C)(C)CC#N ZINC000459258814 331273648 /nfs/dbraw/zinc/27/36/48/331273648.db2.gz MNPGEOPCUJRNRL-UHFFFAOYSA-N 1 2 277.372 1.854 20 30 CDEDLO C#CCN(C(=O)NCc1[nH+]ccn1C)C1CCCCC1 ZINC000490616939 332096000 /nfs/dbraw/zinc/09/60/00/332096000.db2.gz MTAIZHPPCTYPLY-UHFFFAOYSA-N 1 2 274.368 1.898 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(Cl)cc2)CC1 ZINC000490779239 332114934 /nfs/dbraw/zinc/11/49/34/332114934.db2.gz UDTBIRNZHXIFJY-UHFFFAOYSA-N 1 2 291.782 1.529 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000491275412 332178950 /nfs/dbraw/zinc/17/89/50/332178950.db2.gz DRVBMGIPJGUCHW-GFCCVEGCSA-N 1 2 270.336 1.806 20 30 CDEDLO C#CC[N@@H+](CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000491349332 332194629 /nfs/dbraw/zinc/19/46/29/332194629.db2.gz HYVCYQKWCYMUKG-KGLIPLIRSA-N 1 2 285.409 1.068 20 30 CDEDLO C#CC[N@H+](CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000491349332 332194630 /nfs/dbraw/zinc/19/46/30/332194630.db2.gz HYVCYQKWCYMUKG-KGLIPLIRSA-N 1 2 285.409 1.068 20 30 CDEDLO C#C[C@H](NC(=O)C(=O)Nc1ccc(C)[nH+]c1C)C(C)C ZINC000491362323 332197263 /nfs/dbraw/zinc/19/72/63/332197263.db2.gz RAMWMNKNJYSWBF-LBPRGKRZSA-N 1 2 273.336 1.411 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CSCCCSC)CC1 ZINC000491382081 332201078 /nfs/dbraw/zinc/20/10/78/332201078.db2.gz HMGRENQRUGWAID-UHFFFAOYSA-N 1 2 286.466 1.250 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](O)COc1ccccc1C ZINC000491408781 332206857 /nfs/dbraw/zinc/20/68/57/332206857.db2.gz WTXUNLHNRMOQIK-LSDHHAIUSA-N 1 2 275.348 1.069 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](O)COc1ccccc1C ZINC000491408781 332206859 /nfs/dbraw/zinc/20/68/59/332206859.db2.gz WTXUNLHNRMOQIK-LSDHHAIUSA-N 1 2 275.348 1.069 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(C(C)=O)o1 ZINC000491517671 332228411 /nfs/dbraw/zinc/22/84/11/332228411.db2.gz ZWYKYPZFNUEARA-LBPRGKRZSA-N 1 2 275.304 1.737 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(C(C)=O)o1 ZINC000491517671 332228413 /nfs/dbraw/zinc/22/84/13/332228413.db2.gz ZWYKYPZFNUEARA-LBPRGKRZSA-N 1 2 275.304 1.737 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NCCc1ccccc1 ZINC000491566164 332238823 /nfs/dbraw/zinc/23/88/23/332238823.db2.gz DXCMFVFQHGQNMB-OAHLLOKOSA-N 1 2 268.360 1.302 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@H](c2cccnc2)CC1=O ZINC000491626067 332249905 /nfs/dbraw/zinc/24/99/05/332249905.db2.gz IDCOLDDJOOHRRR-TZMCWYRMSA-N 1 2 257.337 1.309 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@H](c2cccnc2)CC1=O ZINC000491626067 332249906 /nfs/dbraw/zinc/24/99/06/332249906.db2.gz IDCOLDDJOOHRRR-TZMCWYRMSA-N 1 2 257.337 1.309 20 30 CDEDLO C#C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC000491709679 332301625 /nfs/dbraw/zinc/30/16/25/332301625.db2.gz RBSRFBXFLKBZPL-AAEUAGOBSA-N 1 2 259.353 1.610 20 30 CDEDLO C#C[C@H](C)[N@H+](C)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000491769821 332336756 /nfs/dbraw/zinc/33/67/56/332336756.db2.gz OGBPYIGOLFCZTC-SMDDNHRTSA-N 1 2 281.377 1.077 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000491769821 332336757 /nfs/dbraw/zinc/33/67/57/332336757.db2.gz OGBPYIGOLFCZTC-SMDDNHRTSA-N 1 2 281.377 1.077 20 30 CDEDLO C#C[C@H]1COCCN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000491805975 332359357 /nfs/dbraw/zinc/35/93/57/332359357.db2.gz QCUMGZIXPZUXCW-LBPRGKRZSA-N 1 2 270.292 1.200 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cc1cnnn1Cc1ccccc1 ZINC000491820555 332370195 /nfs/dbraw/zinc/37/01/95/332370195.db2.gz XZUFEIUNBQOGCT-CYBMUJFWSA-N 1 2 254.337 1.780 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cnnn1Cc1ccccc1 ZINC000491820555 332370196 /nfs/dbraw/zinc/37/01/96/332370196.db2.gz XZUFEIUNBQOGCT-CYBMUJFWSA-N 1 2 254.337 1.780 20 30 CDEDLO N#CCC[NH2+]C1CN(C(=O)OCc2ccccc2)C1 ZINC000496167123 332541117 /nfs/dbraw/zinc/54/11/17/332541117.db2.gz GBALIKMGAGDWKE-UHFFFAOYSA-N 1 2 259.309 1.511 20 30 CDEDLO C#CC[C@H]([NH2+]C1CC(NC(=O)OC(C)(C)C)C1)C(=O)OC ZINC000496360706 332547459 /nfs/dbraw/zinc/54/74/59/332547459.db2.gz KCQBCJFCYVNNIW-MCIGGMRASA-N 1 2 296.367 1.197 20 30 CDEDLO Cc1cc2ccccc2n1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000516699412 333081010 /nfs/dbraw/zinc/08/10/10/333081010.db2.gz YXYCZTFMKOCHMC-KRWDZBQOSA-N 1 2 298.390 1.910 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc2c(c1)C(=O)NCC2 ZINC000517558246 333102485 /nfs/dbraw/zinc/10/24/85/333102485.db2.gz JOYQUAIEEXAYAR-ZDUSSCGKSA-N 1 2 282.347 1.506 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCC(F)(F)F ZINC000521882374 333195578 /nfs/dbraw/zinc/19/55/78/333195578.db2.gz GNWZGDFYJNCBPS-VIFPVBQESA-N 1 2 251.252 1.289 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NC(=O)NCc1cccs1 ZINC000522012079 333230258 /nfs/dbraw/zinc/23/02/58/333230258.db2.gz YAWGJJPNADXSJU-JTQLQIEISA-N 1 2 294.380 1.356 20 30 CDEDLO C#CC[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000192237802 333233441 /nfs/dbraw/zinc/23/34/41/333233441.db2.gz RVYFPDIDEIRTRO-UHFFFAOYSA-N 1 2 272.264 1.710 20 30 CDEDLO C#CC[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000192237802 333233443 /nfs/dbraw/zinc/23/34/43/333233443.db2.gz RVYFPDIDEIRTRO-UHFFFAOYSA-N 1 2 272.264 1.710 20 30 CDEDLO CC1CCN(C(=O)C[N@H+](CCC#N)CC2CC2)CC1 ZINC000081062763 334177856 /nfs/dbraw/zinc/17/78/56/334177856.db2.gz WOZUHQUTMCZITE-UHFFFAOYSA-N 1 2 263.385 1.871 20 30 CDEDLO CC1CCN(C(=O)C[N@@H+](CCC#N)CC2CC2)CC1 ZINC000081062763 334177857 /nfs/dbraw/zinc/17/78/57/334177857.db2.gz WOZUHQUTMCZITE-UHFFFAOYSA-N 1 2 263.385 1.871 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000568715522 334837477 /nfs/dbraw/zinc/83/74/77/334837477.db2.gz YUTHCPSUCOVWKG-GRYCIOLGSA-N 1 2 263.341 1.814 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCc1ccccc1 ZINC000568822923 334842374 /nfs/dbraw/zinc/84/23/74/334842374.db2.gz LOUGDWGBDFQVKV-MRXNPFEDSA-N 1 2 273.380 1.969 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+][C@H](CO)c1cccc(F)c1 ZINC000580647831 335311021 /nfs/dbraw/zinc/31/10/21/335311021.db2.gz XURVQINJPNNTMM-BXUZGUMPSA-N 1 2 261.300 1.892 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1Cc2ccccc2S1 ZINC000581433117 336076817 /nfs/dbraw/zinc/07/68/17/336076817.db2.gz XETCIKLOLGTKIV-HIFRSBDPSA-N 1 2 289.404 1.663 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1OCCc2ccccc21 ZINC000581827465 336148372 /nfs/dbraw/zinc/14/83/72/336148372.db2.gz SHBJXCMZQCFFEJ-GDBMZVCRSA-N 1 2 287.363 1.260 20 30 CDEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)[NH2+]Cc1nc(CC)no1 ZINC001752875509 1159946430 /nfs/dbraw/zinc/94/64/30/1159946430.db2.gz VIBLHSFFPQCEDK-LLVKDONJSA-N 1 2 294.399 1.829 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C#CC2CC2)C(C)(C)C1 ZINC001755407586 1160156555 /nfs/dbraw/zinc/15/65/55/1160156555.db2.gz NCADHXJHRBNFDX-ZDUSSCGKSA-N 1 2 280.799 1.979 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C#CC2CC2)C(C)(C)C1 ZINC001755407586 1160156559 /nfs/dbraw/zinc/15/65/59/1160156559.db2.gz NCADHXJHRBNFDX-ZDUSSCGKSA-N 1 2 280.799 1.979 20 30 CDEDLO CCCCCC#CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@H](C1)O2 ZINC001271957545 1160384956 /nfs/dbraw/zinc/38/49/56/1160384956.db2.gz GKKIHXQXPWUGKX-OKILXGFUSA-N 1 2 264.369 1.112 20 30 CDEDLO CCCCCC#CC(=O)N1C[C@@H]2C[N@H+](C)C[C@H](C1)O2 ZINC001271957545 1160384962 /nfs/dbraw/zinc/38/49/62/1160384962.db2.gz GKKIHXQXPWUGKX-OKILXGFUSA-N 1 2 264.369 1.112 20 30 CDEDLO COCC#CC[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000677132892 482468867 /nfs/dbraw/zinc/46/88/67/482468867.db2.gz XZJIJARRDSXPPT-UHFFFAOYSA-N 1 2 290.338 1.233 20 30 CDEDLO C=C[C@](C)(O)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000666489264 482482956 /nfs/dbraw/zinc/48/29/56/482482956.db2.gz GCAUNFFREJJNNT-INIZCTEOSA-N 1 2 289.379 1.625 20 30 CDEDLO C=CCCOCC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000684071419 482631319 /nfs/dbraw/zinc/63/13/19/482631319.db2.gz WXKVSHKOXKRHKV-CQSZACIVSA-N 1 2 276.336 1.654 20 30 CDEDLO C=C[C@](C)(O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000666020396 482684933 /nfs/dbraw/zinc/68/49/33/482684933.db2.gz HVCJKUATEWWKHW-HNNXBMFYSA-N 1 2 275.352 1.235 20 30 CDEDLO COCC#CC[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000679826206 483442611 /nfs/dbraw/zinc/44/26/11/483442611.db2.gz MCQMWHZJYPJWSE-LBPRGKRZSA-N 1 2 255.264 1.238 20 30 CDEDLO COCC#CC[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000680426737 483617523 /nfs/dbraw/zinc/61/75/23/483617523.db2.gz YMBWEJDLVCRKCU-SNVBAGLBSA-N 1 2 251.330 1.668 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1coc(C)c1 ZINC001233866638 1161093334 /nfs/dbraw/zinc/09/33/34/1161093334.db2.gz SMOJMXIVCIAIOX-OAHLLOKOSA-N 1 2 290.363 1.384 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1coc(C)c1 ZINC001233866638 1161093338 /nfs/dbraw/zinc/09/33/38/1161093338.db2.gz SMOJMXIVCIAIOX-OAHLLOKOSA-N 1 2 290.363 1.384 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(F)cccc1F ZINC001085943961 1161954478 /nfs/dbraw/zinc/95/44/78/1161954478.db2.gz WEHAPZSAULZJSG-NSHDSACASA-N 1 2 278.302 1.744 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(F)cccc1F ZINC001085943961 1161954480 /nfs/dbraw/zinc/95/44/80/1161954480.db2.gz WEHAPZSAULZJSG-NSHDSACASA-N 1 2 278.302 1.744 20 30 CDEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001113232416 1162133842 /nfs/dbraw/zinc/13/38/42/1162133842.db2.gz PBYFCXFMFODCGR-ZIAGYGMSSA-N 1 2 290.411 1.523 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052856651 518592328 /nfs/dbraw/zinc/59/23/28/518592328.db2.gz BJINYARRTUCTPG-BETUJISGSA-N 1 2 254.374 1.520 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052856651 518592334 /nfs/dbraw/zinc/59/23/34/518592334.db2.gz BJINYARRTUCTPG-BETUJISGSA-N 1 2 254.374 1.520 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCCC(F)(F)F)CC1 ZINC001113377759 1162164056 /nfs/dbraw/zinc/16/40/56/1162164056.db2.gz MAJZQKABZFZRGO-UHFFFAOYSA-N 1 2 276.302 1.887 20 30 CDEDLO CC(=O)N1CCC[N@H+](Cc2ccnc(C#N)c2)CC1 ZINC000068766412 519530281 /nfs/dbraw/zinc/53/02/81/519530281.db2.gz WJLRFMGPBSHLCY-UHFFFAOYSA-N 1 2 258.325 1.007 20 30 CDEDLO CC(=O)N1CCC[N@@H+](Cc2ccnc(C#N)c2)CC1 ZINC000068766412 519530288 /nfs/dbraw/zinc/53/02/88/519530288.db2.gz WJLRFMGPBSHLCY-UHFFFAOYSA-N 1 2 258.325 1.007 20 30 CDEDLO Cc1cccc2[nH+]c(CNC(=O)N3CCO[C@H](C#N)C3)cn21 ZINC000069479001 524982804 /nfs/dbraw/zinc/98/28/04/524982804.db2.gz YZJVBZLLPJZDGT-CYBMUJFWSA-N 1 2 299.334 1.077 20 30 CDEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@H](C)C2CC2)CC1 ZINC000330086557 526625144 /nfs/dbraw/zinc/62/51/44/526625144.db2.gz MIZJQGHEVBRBTH-LLVKDONJSA-N 1 2 267.373 1.153 20 30 CDEDLO C=CCOCC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000347103494 526685877 /nfs/dbraw/zinc/68/58/77/526685877.db2.gz KOOAVAXNQNTSKU-UHFFFAOYSA-N 1 2 263.341 1.380 20 30 CDEDLO C=CCOCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000347963707 526721496 /nfs/dbraw/zinc/72/14/96/526721496.db2.gz JZDCRXYLLLZCCT-UHFFFAOYSA-N 1 2 290.363 1.660 20 30 CDEDLO C=CCOCCC[N@@H+]1C[C@@H](OC)C[C@H]1c1nnc[nH]1 ZINC000344761558 526759169 /nfs/dbraw/zinc/75/91/69/526759169.db2.gz YWIRCNNVKIONSY-RYUDHWBXSA-N 1 2 266.345 1.159 20 30 CDEDLO C=CCOCCC[N@H+]1C[C@@H](OC)C[C@H]1c1nnc[nH]1 ZINC000344761558 526759171 /nfs/dbraw/zinc/75/91/71/526759171.db2.gz YWIRCNNVKIONSY-RYUDHWBXSA-N 1 2 266.345 1.159 20 30 CDEDLO CC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C[C@@H](C)C#N ZINC000353284226 527911245 /nfs/dbraw/zinc/91/12/45/527911245.db2.gz UKIGXZRCRJTDAJ-ZDUSSCGKSA-N 1 2 284.363 1.656 20 30 CDEDLO CC[N@H+](CC(=O)NCc1ccc(C#N)cc1)C[C@@H](C)C#N ZINC000353284226 527911248 /nfs/dbraw/zinc/91/12/48/527911248.db2.gz UKIGXZRCRJTDAJ-ZDUSSCGKSA-N 1 2 284.363 1.656 20 30 CDEDLO CCC(CC)[C@@H](C(=O)N1CC(C)(C#N)C1)[NH+]1CCOCC1 ZINC000330088985 528808386 /nfs/dbraw/zinc/80/83/86/528808386.db2.gz VIJBBWCGJQJGBX-AWEZNQCLSA-N 1 2 293.411 1.495 20 30 CDEDLO C[C@H](CC#N)[NH2+]CCS(=O)(=O)Cc1ccccc1 ZINC000727779801 574598462 /nfs/dbraw/zinc/59/84/62/574598462.db2.gz WAPZADDNIXASTA-GFCCVEGCSA-N 1 2 266.366 1.493 20 30 CDEDLO N#Cc1ccc(NCCNC(=O)CCCn2cc[nH+]c2)nc1 ZINC000729313095 574746612 /nfs/dbraw/zinc/74/66/12/574746612.db2.gz KUDQVUKGFYGPBW-UHFFFAOYSA-N 1 2 298.350 1.158 20 30 CDEDLO C#Cc1cccc(NC(=O)NCC[N@H+]2CCOC[C@H]2C)c1 ZINC000729552483 574816046 /nfs/dbraw/zinc/81/60/46/574816046.db2.gz GDSOEJAIRXCGRW-CYBMUJFWSA-N 1 2 287.363 1.510 20 30 CDEDLO C#Cc1cccc(NC(=O)NCC[N@@H+]2CCOC[C@H]2C)c1 ZINC000729552483 574816048 /nfs/dbraw/zinc/81/60/48/574816048.db2.gz GDSOEJAIRXCGRW-CYBMUJFWSA-N 1 2 287.363 1.510 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(OC)cc(OC)c1 ZINC000730095905 574848463 /nfs/dbraw/zinc/84/84/63/574848463.db2.gz SMVZXGRZOHXRHK-HNNXBMFYSA-N 1 2 288.347 1.740 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(OC)cc(OC)c1 ZINC000730095905 574848464 /nfs/dbraw/zinc/84/84/64/574848464.db2.gz SMVZXGRZOHXRHK-HNNXBMFYSA-N 1 2 288.347 1.740 20 30 CDEDLO C#CCNC(=O)C[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000730264200 574906120 /nfs/dbraw/zinc/90/61/20/574906120.db2.gz FJSRSZHKGKIQHQ-JTQLQIEISA-N 1 2 265.382 1.502 20 30 CDEDLO C#CCNC(=O)C[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000730264200 574906122 /nfs/dbraw/zinc/90/61/22/574906122.db2.gz FJSRSZHKGKIQHQ-JTQLQIEISA-N 1 2 265.382 1.502 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCc2occc21 ZINC000730275416 574908395 /nfs/dbraw/zinc/90/83/95/574908395.db2.gz DZKRLQIGZBEDQL-KGLIPLIRSA-N 1 2 272.348 1.871 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCc2occc21 ZINC000730275416 574908397 /nfs/dbraw/zinc/90/83/97/574908397.db2.gz DZKRLQIGZBEDQL-KGLIPLIRSA-N 1 2 272.348 1.871 20 30 CDEDLO C[C@@H](C#N)C(=O)NCc1ccc[nH+]c1N1CCCCC1 ZINC000733892271 575144515 /nfs/dbraw/zinc/14/45/15/575144515.db2.gz CUCNXJKNUDFGEF-LBPRGKRZSA-N 1 2 272.352 1.848 20 30 CDEDLO CC#CCCNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000774979300 575258015 /nfs/dbraw/zinc/25/80/15/575258015.db2.gz SVGRPSNQDCTBLC-ZDUSSCGKSA-N 1 2 274.368 1.723 20 30 CDEDLO C#CCNC(=O)C[N@H+]1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000769954239 575402599 /nfs/dbraw/zinc/40/25/99/575402599.db2.gz QPRYEWXIQHKFGX-NWDGAFQWSA-N 1 2 274.339 1.883 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000769954239 575402601 /nfs/dbraw/zinc/40/26/01/575402601.db2.gz QPRYEWXIQHKFGX-NWDGAFQWSA-N 1 2 274.339 1.883 20 30 CDEDLO CC(=[NH+]OCC(N)=O)c1ccc(F)cc1N(C)C ZINC000771579175 575593875 /nfs/dbraw/zinc/59/38/75/575593875.db2.gz IUYOVZUBQRKZEW-UHFFFAOYSA-N 1 2 253.277 1.118 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ccnn2C2CCCC2)CC1 ZINC000765524572 576035886 /nfs/dbraw/zinc/03/58/86/576035886.db2.gz CCAITYWBSVVWLW-UHFFFAOYSA-N 1 2 286.379 1.389 20 30 CDEDLO C=CCn1nnn(C[N@@H+](C)CC(C)(C)C)c1=S ZINC000738091077 576038184 /nfs/dbraw/zinc/03/81/84/576038184.db2.gz TUEJUPFRNYGHJL-UHFFFAOYSA-N 1 2 255.391 1.930 20 30 CDEDLO C=CCn1nnn(C[N@H+](C)CC(C)(C)C)c1=S ZINC000738091077 576038187 /nfs/dbraw/zinc/03/81/87/576038187.db2.gz TUEJUPFRNYGHJL-UHFFFAOYSA-N 1 2 255.391 1.930 20 30 CDEDLO C[N@H+](CC(=O)NCc1ccco1)Cc1ccc(C#N)s1 ZINC000768197503 576263987 /nfs/dbraw/zinc/26/39/87/576263987.db2.gz VRIDWBHSTCYSDU-UHFFFAOYSA-N 1 2 289.360 1.961 20 30 CDEDLO C[N@@H+](CC(=O)NCc1ccco1)Cc1ccc(C#N)s1 ZINC000768197503 576263989 /nfs/dbraw/zinc/26/39/89/576263989.db2.gz VRIDWBHSTCYSDU-UHFFFAOYSA-N 1 2 289.360 1.961 20 30 CDEDLO Cn1cc(N[NH+]=Cc2cnc(N3CCOCC3)s2)cn1 ZINC000761884158 576603106 /nfs/dbraw/zinc/60/31/06/576603106.db2.gz GRSHNRZTGAQROE-UHFFFAOYSA-N 1 2 292.368 1.159 20 30 CDEDLO C#CC[N@@H+](CC#CC)C[C@H](O)c1ccc(F)c(F)c1 ZINC000743854895 576658640 /nfs/dbraw/zinc/65/86/40/576658640.db2.gz RDQDJKUHRBODJD-HNNXBMFYSA-N 1 2 263.287 1.957 20 30 CDEDLO C#CC[N@H+](CC#CC)C[C@H](O)c1ccc(F)c(F)c1 ZINC000743854895 576658641 /nfs/dbraw/zinc/65/86/41/576658641.db2.gz RDQDJKUHRBODJD-HNNXBMFYSA-N 1 2 263.287 1.957 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CC#CCOC)c1 ZINC000762915753 576691587 /nfs/dbraw/zinc/69/15/87/576691587.db2.gz FDWWPEAXHHGUNI-UHFFFAOYSA-N 1 2 270.332 1.188 20 30 CDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CC#CCOC)c1 ZINC000762915753 576691589 /nfs/dbraw/zinc/69/15/89/576691589.db2.gz FDWWPEAXHHGUNI-UHFFFAOYSA-N 1 2 270.332 1.188 20 30 CDEDLO COCC#CCO[NH+]=C(N)Cc1csc(C)n1 ZINC000764207974 576785306 /nfs/dbraw/zinc/78/53/06/576785306.db2.gz DLNGRAIDZKOAKT-UHFFFAOYSA-N 1 2 253.327 1.142 20 30 CDEDLO N#Cc1cccc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000753893889 576864469 /nfs/dbraw/zinc/86/44/69/576864469.db2.gz CCLVPDRFMGGYOH-GASCZTMLSA-N 1 2 286.331 1.578 20 30 CDEDLO N#Cc1cccc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000753893889 576864471 /nfs/dbraw/zinc/86/44/71/576864471.db2.gz CCLVPDRFMGGYOH-GASCZTMLSA-N 1 2 286.331 1.578 20 30 CDEDLO CC(C[C@@H]1CCOC1)N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753940653 576867605 /nfs/dbraw/zinc/86/76/05/576867605.db2.gz UVCLKRUMTFXVFB-YNEHKIRRSA-N 1 2 264.373 1.649 20 30 CDEDLO Cc1[nH]c[nH+]c1C=NNS(=O)(=O)c1ccc(C)cc1 ZINC000755467272 576946153 /nfs/dbraw/zinc/94/61/53/576946153.db2.gz GTAKYKIYPJWUNN-UHFFFAOYSA-N 1 2 278.337 1.339 20 30 CDEDLO C#CCNC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000749528610 576951891 /nfs/dbraw/zinc/95/18/91/576951891.db2.gz GXOJONYTBGUSAN-UHFFFAOYSA-N 1 2 287.319 1.309 20 30 CDEDLO C#CCNC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000749528610 576951892 /nfs/dbraw/zinc/95/18/92/576951892.db2.gz GXOJONYTBGUSAN-UHFFFAOYSA-N 1 2 287.319 1.309 20 30 CDEDLO COC[C@H](C#N)OC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000751606243 577054387 /nfs/dbraw/zinc/05/43/87/577054387.db2.gz PVKPMHFGKOWFNW-QWHCGFSZSA-N 1 2 262.309 1.371 20 30 CDEDLO C#CCNC(=S)NCc1cn2cc(C)ccc2[nH+]1 ZINC000758205620 577081658 /nfs/dbraw/zinc/08/16/58/577081658.db2.gz UVOBQKNGGGAMFL-UHFFFAOYSA-N 1 2 258.350 1.240 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnc(C)nc2C)C1 ZINC000956972233 612992957 /nfs/dbraw/zinc/99/29/57/612992957.db2.gz OFMGXYWKTYJMFE-UHFFFAOYSA-N 1 2 286.379 1.263 20 30 CDEDLO C#CCN1CC(N(CC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000950097475 613113120 /nfs/dbraw/zinc/11/31/20/613113120.db2.gz QJEQAPVNMCEFOU-UHFFFAOYSA-N 1 2 296.374 1.422 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2c(C)noc2C)CC1 ZINC000980688401 613156502 /nfs/dbraw/zinc/15/65/02/613156502.db2.gz DADICBQCVHGIFW-UHFFFAOYSA-N 1 2 261.325 1.073 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2c(C)noc2C)CC1 ZINC000980688401 613156503 /nfs/dbraw/zinc/15/65/03/613156503.db2.gz DADICBQCVHGIFW-UHFFFAOYSA-N 1 2 261.325 1.073 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2ocnc2C(F)F)CC1 ZINC000981969989 613160789 /nfs/dbraw/zinc/16/07/89/613160789.db2.gz WMRVUWULCQOXLJ-UHFFFAOYSA-N 1 2 283.278 1.393 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2ocnc2C(F)F)CC1 ZINC000981969989 613160791 /nfs/dbraw/zinc/16/07/91/613160791.db2.gz WMRVUWULCQOXLJ-UHFFFAOYSA-N 1 2 283.278 1.393 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+](CCF)CC2)cc1 ZINC000981731741 613168668 /nfs/dbraw/zinc/16/86/68/613168668.db2.gz NQXIMWBYTTUUBT-UHFFFAOYSA-N 1 2 274.339 1.785 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCC[N@H+](CCF)CC2)cc1 ZINC000981731741 613168670 /nfs/dbraw/zinc/16/86/70/613168670.db2.gz NQXIMWBYTTUUBT-UHFFFAOYSA-N 1 2 274.339 1.785 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(C)nn2CC)C1 ZINC000952332635 613295900 /nfs/dbraw/zinc/29/59/00/613295900.db2.gz LBCQBYIJDUSHJI-UHFFFAOYSA-N 1 2 290.411 1.934 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@]2(C)CCOC2)CC1 ZINC000952415532 613319533 /nfs/dbraw/zinc/31/95/33/613319533.db2.gz HERFRVZHQXSCLZ-CQSZACIVSA-N 1 2 252.358 1.133 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2[nH]c(C)nc2C)CC1 ZINC000950564822 613319728 /nfs/dbraw/zinc/31/97/28/613319728.db2.gz IKYXQDQBMOUTJN-UHFFFAOYSA-N 1 2 262.357 1.360 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnn(C)c2Cl)CC1 ZINC000948888310 613321669 /nfs/dbraw/zinc/32/16/69/613321669.db2.gz HRWYAWQKANYFHQ-UHFFFAOYSA-N 1 2 282.775 1.407 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnn(C(F)F)c2)CC1 ZINC000952424432 613321804 /nfs/dbraw/zinc/32/18/04/613321804.db2.gz MBJSOJBJCATHLN-UHFFFAOYSA-N 1 2 284.310 1.612 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2noc3c2COCC3)CC1 ZINC000957720056 613322255 /nfs/dbraw/zinc/32/22/55/613322255.db2.gz CINFYZUALSGPIQ-UHFFFAOYSA-N 1 2 291.351 1.081 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cccnc2)C1 ZINC000969205369 613371705 /nfs/dbraw/zinc/37/17/05/613371705.db2.gz GMJCETGBSCBMQX-LLVKDONJSA-N 1 2 279.771 1.884 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(F)c[nH]2)C1 ZINC000970179028 613372370 /nfs/dbraw/zinc/37/23/70/613372370.db2.gz OQDPDTHAWHXPOK-VIFPVBQESA-N 1 2 285.750 1.956 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2nnc[nH]2)C[C@@H]1C ZINC000947907279 613378796 /nfs/dbraw/zinc/37/87/96/613378796.db2.gz GAAODBCRXKNTEU-QWRGUYRKSA-N 1 2 297.790 1.069 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2nnc[nH]2)C[C@@H]1C ZINC000947907279 613378797 /nfs/dbraw/zinc/37/87/97/613378797.db2.gz GAAODBCRXKNTEU-QWRGUYRKSA-N 1 2 297.790 1.069 20 30 CDEDLO C[C@@H](CC(=O)OCCOCCC#N)n1cc[nH+]c1 ZINC000845285313 617362201 /nfs/dbraw/zinc/36/22/01/617362201.db2.gz HSIQCIWWFHOMMZ-NSHDSACASA-N 1 2 251.286 1.308 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccccn3)C2)C1 ZINC000972220009 613570743 /nfs/dbraw/zinc/57/07/43/613570743.db2.gz GRVOLHJHDNJNDI-QGZVFWFLSA-N 1 2 299.374 1.022 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccccn3)C2)C1 ZINC000972220009 613570744 /nfs/dbraw/zinc/57/07/44/613570744.db2.gz GRVOLHJHDNJNDI-QGZVFWFLSA-N 1 2 299.374 1.022 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cnns2)C1 ZINC000965290411 613594383 /nfs/dbraw/zinc/59/43/83/613594383.db2.gz IOIHNDRYRVAWBM-WDEREUQCSA-N 1 2 278.381 1.002 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cnns2)C1 ZINC000965290411 613594384 /nfs/dbraw/zinc/59/43/84/613594384.db2.gz IOIHNDRYRVAWBM-WDEREUQCSA-N 1 2 278.381 1.002 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2c(C)c(C)n[nH]c2=O)C1 ZINC000951113470 613656523 /nfs/dbraw/zinc/65/65/23/613656523.db2.gz BERXPFSIYZLNIZ-UHFFFAOYSA-N 1 2 290.367 1.131 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2ccncc2)CC1 ZINC000949029380 613707527 /nfs/dbraw/zinc/70/75/27/613707527.db2.gz GTYXTABHGMZIEK-UHFFFAOYSA-N 1 2 259.353 1.344 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CC[C@@H]2CC(C)(C)CO2)CC1 ZINC000957464673 613707534 /nfs/dbraw/zinc/70/75/34/613707534.db2.gz KTIDMSONUIHMGE-CQSZACIVSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc3c[nH]nc3c2)CC1 ZINC000957503493 613709272 /nfs/dbraw/zinc/70/92/72/613709272.db2.gz OYJKSSINDSXPHS-UHFFFAOYSA-N 1 2 284.363 1.436 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CC23CC(OCC)C3)CC1 ZINC000950481639 613712979 /nfs/dbraw/zinc/71/29/79/613712979.db2.gz QTIDWCCAFXSGAR-NPCAHTBFSA-N 1 2 278.396 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(CC)nnc2C)CC1 ZINC000949475515 613715090 /nfs/dbraw/zinc/71/50/90/613715090.db2.gz XGVSOYXNXGETDA-UHFFFAOYSA-N 1 2 274.368 1.291 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)C1 ZINC000972324697 613723691 /nfs/dbraw/zinc/72/36/91/613723691.db2.gz PVVOCGINYATFJG-HWMZRRJGSA-N 1 2 290.407 1.522 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)C1 ZINC000972324697 613723692 /nfs/dbraw/zinc/72/36/92/613723692.db2.gz PVVOCGINYATFJG-HWMZRRJGSA-N 1 2 290.407 1.522 20 30 CDEDLO C=C1CCC(C(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000891605320 617501021 /nfs/dbraw/zinc/50/10/21/617501021.db2.gz CONYHOZLDJTBNY-UHFFFAOYSA-N 1 2 280.412 1.960 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2C)C1 ZINC000891606986 617501635 /nfs/dbraw/zinc/50/16/35/617501635.db2.gz KLTHXKNNBWBSNN-AWEZNQCLSA-N 1 2 299.374 1.147 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2C)C1 ZINC000891606986 617501637 /nfs/dbraw/zinc/50/16/37/617501637.db2.gz KLTHXKNNBWBSNN-AWEZNQCLSA-N 1 2 299.374 1.147 20 30 CDEDLO OC[C@@H]1CCCN1N=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000841662787 617614790 /nfs/dbraw/zinc/61/47/90/617614790.db2.gz PPYDADOJJHHQLN-HNNXBMFYSA-N 1 2 270.336 1.663 20 30 CDEDLO CC(C)CN(CCC#N)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000824234919 618556864 /nfs/dbraw/zinc/55/68/64/618556864.db2.gz XAGODOFPQNNIBF-CYBMUJFWSA-N 1 2 274.368 1.844 20 30 CDEDLO N#C[C@H]1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1 ZINC000928214168 618561597 /nfs/dbraw/zinc/56/15/97/618561597.db2.gz HXXVUOFHUAJYJM-GFCCVEGCSA-N 1 2 296.330 1.954 20 30 CDEDLO N#CCCC[N@@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826381483 618591993 /nfs/dbraw/zinc/59/19/93/618591993.db2.gz NONXPFYVURICMI-AWEZNQCLSA-N 1 2 298.350 1.544 20 30 CDEDLO N#CCCC[N@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826381483 618591998 /nfs/dbraw/zinc/59/19/98/618591998.db2.gz NONXPFYVURICMI-AWEZNQCLSA-N 1 2 298.350 1.544 20 30 CDEDLO CC(C)(C)c1cnc(C[NH2+][C@@H]2CCCN(O)C2=O)s1 ZINC000895162391 619382095 /nfs/dbraw/zinc/38/20/95/619382095.db2.gz YNYBFDFIQXAGJW-SECBINFHSA-N 1 2 283.397 1.910 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2nc3c(s2)CCCC3)CCCN1O ZINC000895163536 619387428 /nfs/dbraw/zinc/38/74/28/619387428.db2.gz VQGPXXMFHGTIEN-SNVBAGLBSA-N 1 2 281.381 1.492 20 30 CDEDLO N#Cc1cnc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)s1 ZINC000896479163 620112676 /nfs/dbraw/zinc/11/26/76/620112676.db2.gz LQMDBGHJRKGNDV-QMMMGPOBSA-N 1 2 273.321 1.412 20 30 CDEDLO NC(CCO)=[NH+]OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000121316519 620493308 /nfs/dbraw/zinc/49/33/08/620493308.db2.gz XGVNWDNIJIOCRQ-UHFFFAOYSA-N 1 2 273.676 1.419 20 30 CDEDLO Cc1cn(C(C)(C)C(=O)Nc2n[nH]c(C)c2C#N)c[nH+]1 ZINC000897555169 620989235 /nfs/dbraw/zinc/98/92/35/620989235.db2.gz NXJYIDNPKMRVIL-UHFFFAOYSA-N 1 2 272.312 1.469 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000897904849 621213227 /nfs/dbraw/zinc/21/32/27/621213227.db2.gz HLTNLFPSEUEEEM-IYBDPMFKSA-N 1 2 284.359 1.261 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000897904849 621213229 /nfs/dbraw/zinc/21/32/29/621213229.db2.gz HLTNLFPSEUEEEM-IYBDPMFKSA-N 1 2 284.359 1.261 20 30 CDEDLO C=C[C@H](C)ONC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000898281002 621458404 /nfs/dbraw/zinc/45/84/04/621458404.db2.gz NNQNKAZYFRIHFU-CABZTGNLSA-N 1 2 264.329 1.412 20 30 CDEDLO C=C[C@H](C)ONC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000898281002 621458411 /nfs/dbraw/zinc/45/84/11/621458411.db2.gz NNQNKAZYFRIHFU-CABZTGNLSA-N 1 2 264.329 1.412 20 30 CDEDLO CC[C@@](C)(C#N)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000900464518 623095346 /nfs/dbraw/zinc/09/53/46/623095346.db2.gz ONCDQTYXPLAEPG-JSGCOSHPSA-N 1 2 275.356 1.598 20 30 CDEDLO CC[C@@](C)(C#N)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000900464518 623095353 /nfs/dbraw/zinc/09/53/53/623095353.db2.gz ONCDQTYXPLAEPG-JSGCOSHPSA-N 1 2 275.356 1.598 20 30 CDEDLO Cn1c(CC#N)nn(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1=S ZINC000902654455 625088566 /nfs/dbraw/zinc/08/85/66/625088566.db2.gz MTBVWGLVYVTWNP-PHIMTYICSA-N 1 2 277.397 1.707 20 30 CDEDLO Cn1c(CC#N)nn(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1=S ZINC000902654455 625088567 /nfs/dbraw/zinc/08/85/67/625088567.db2.gz MTBVWGLVYVTWNP-PHIMTYICSA-N 1 2 277.397 1.707 20 30 CDEDLO C#CC[N@H+](CN1C(=O)C[C@@](C)(C(C)C)C1=O)C(C)C ZINC000905748559 626944717 /nfs/dbraw/zinc/94/47/17/626944717.db2.gz JKJIJSVFZPVWBJ-HNNXBMFYSA-N 1 2 264.369 1.709 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)C[C@@](C)(C(C)C)C1=O)C(C)C ZINC000905748559 626944719 /nfs/dbraw/zinc/94/47/19/626944719.db2.gz JKJIJSVFZPVWBJ-HNNXBMFYSA-N 1 2 264.369 1.709 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1ccsc1C#N ZINC000906554614 627323992 /nfs/dbraw/zinc/32/39/92/627323992.db2.gz HJQLFCFGXWAKMH-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1ccsc1C#N ZINC000906554614 627323996 /nfs/dbraw/zinc/32/39/96/627323996.db2.gz HJQLFCFGXWAKMH-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO CCOc1ccc(/C=N\[C@H](C)C[NH+]2CCOCC2)c(O)c1 ZINC000915978215 631877835 /nfs/dbraw/zinc/87/78/35/631877835.db2.gz CMIKDUHTLNZUCB-GPLLRDDGSA-N 1 2 292.379 1.931 20 30 CDEDLO N#C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)C1CCCC1 ZINC000921552662 633075234 /nfs/dbraw/zinc/07/52/34/633075234.db2.gz XZQCCZCKCGNDBL-ZRFDWSJLSA-N 1 2 277.368 1.073 20 30 CDEDLO CC1(C)OCC(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CO1 ZINC001209193125 1158503175 /nfs/dbraw/zinc/50/31/75/1158503175.db2.gz FFZQBLOHJSMSKV-LBPRGKRZSA-N 1 2 283.393 1.660 20 30 CDEDLO CC1(C)OCC(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)CO1 ZINC001209193125 1158503181 /nfs/dbraw/zinc/50/31/81/1158503181.db2.gz FFZQBLOHJSMSKV-LBPRGKRZSA-N 1 2 283.393 1.660 20 30 CDEDLO CCOC(=O)[C@H](C#N)Nc1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001170371301 1162345801 /nfs/dbraw/zinc/34/58/01/1162345801.db2.gz QYCMYCJZLSRGEC-LBPRGKRZSA-N 1 2 288.282 1.879 20 30 CDEDLO C#CCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21 ZINC001114160053 1162438795 /nfs/dbraw/zinc/43/87/95/1162438795.db2.gz QOZYIALGALLLBU-HALDLXJZSA-N 1 2 298.390 1.217 20 30 CDEDLO C#CCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21 ZINC001114160053 1162438798 /nfs/dbraw/zinc/43/87/98/1162438798.db2.gz QOZYIALGALLLBU-HALDLXJZSA-N 1 2 298.390 1.217 20 30 CDEDLO C=C1C[NH+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000899900100 1160760661 /nfs/dbraw/zinc/76/06/61/1160760661.db2.gz IMXNHMNSDCFPGM-ZDUSSCGKSA-N 1 2 288.347 1.183 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cnco2)c1 ZINC001038563140 1161022428 /nfs/dbraw/zinc/02/24/28/1161022428.db2.gz KAGKACZOMQERFX-AWEZNQCLSA-N 1 2 296.330 1.551 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cnco2)c1 ZINC001038563140 1161022435 /nfs/dbraw/zinc/02/24/35/1161022435.db2.gz KAGKACZOMQERFX-AWEZNQCLSA-N 1 2 296.330 1.551 20 30 CDEDLO CCc1cn(CC(=O)Nc2ccc(C#N)cc2)c[nH+]1 ZINC001614961410 1165548088 /nfs/dbraw/zinc/54/80/88/1165548088.db2.gz SHRBNBZOJOTBPU-UHFFFAOYSA-N 1 2 254.293 1.956 20 30 CDEDLO CCOC(=O)[C@@H]1C2CCC(CC2)[N@@H+]1C[C@H](O)CC#N ZINC001645819403 1167521130 /nfs/dbraw/zinc/52/11/30/1167521130.db2.gz GRDOJULCXOISAC-TUUUFIMRSA-N 1 2 266.341 1.067 20 30 CDEDLO CCOC(=O)[C@@H]1C2CCC(CC2)[N@H+]1C[C@H](O)CC#N ZINC001645819403 1167521134 /nfs/dbraw/zinc/52/11/34/1167521134.db2.gz GRDOJULCXOISAC-TUUUFIMRSA-N 1 2 266.341 1.067 20 30 CDEDLO N#Cc1cccc([C@H](O)C[N@@H+]2CCC[C@@H](c3cnn[nH]3)C2)c1 ZINC001577717741 1171728228 /nfs/dbraw/zinc/72/82/28/1171728228.db2.gz PFNRBAWQHUSDEF-GDBMZVCRSA-N 1 2 297.362 1.589 20 30 CDEDLO N#Cc1cccc([C@H](O)C[N@H+]2CCC[C@@H](c3cnn[nH]3)C2)c1 ZINC001577717741 1171728237 /nfs/dbraw/zinc/72/82/37/1171728237.db2.gz PFNRBAWQHUSDEF-GDBMZVCRSA-N 1 2 297.362 1.589 20 30 CDEDLO O=C(C#CC1CC1)N[C@H]1CC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001665459481 1172998478 /nfs/dbraw/zinc/99/84/78/1172998478.db2.gz WEALAHOQXVVOSX-AWEZNQCLSA-N 1 2 299.374 1.656 20 30 CDEDLO O=C(C#CC1CC1)N[C@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001665459481 1172998483 /nfs/dbraw/zinc/99/84/83/1172998483.db2.gz WEALAHOQXVVOSX-AWEZNQCLSA-N 1 2 299.374 1.656 20 30 CDEDLO C#CC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC001588349694 1173051598 /nfs/dbraw/zinc/05/15/98/1173051598.db2.gz VXBMCFTZTOCJDC-UHFFFAOYSA-N 1 2 293.277 1.533 20 30 CDEDLO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](C#N)CCC#N ZINC001591134961 1173574444 /nfs/dbraw/zinc/57/44/44/1173574444.db2.gz GJQNHMNCEPZAOX-CYBMUJFWSA-N 1 2 295.350 1.742 20 30 CDEDLO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](C#N)CCC#N ZINC001591134961 1173574448 /nfs/dbraw/zinc/57/44/48/1173574448.db2.gz GJQNHMNCEPZAOX-CYBMUJFWSA-N 1 2 295.350 1.742 20 30 CDEDLO COc1cc(C[NH2+][C@H](C)CC#N)ccc1-c1nn[nH]n1 ZINC001591533590 1173666027 /nfs/dbraw/zinc/66/60/27/1173666027.db2.gz NHNGGCIAOWSMAH-SECBINFHSA-N 1 2 272.312 1.267 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1Cc1ccc(F)c2cccnc12 ZINC000091748340 1174315527 /nfs/dbraw/zinc/31/55/27/1174315527.db2.gz GKGVLOXGCQQWDV-GFCCVEGCSA-N 1 2 270.311 1.671 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccnnc1 ZINC001716042421 1180018248 /nfs/dbraw/zinc/01/82/48/1180018248.db2.gz CJBVKHNBWHYSNY-SNVBAGLBSA-N 1 2 268.748 1.279 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccnnc1 ZINC001716042421 1180018252 /nfs/dbraw/zinc/01/82/52/1180018252.db2.gz CJBVKHNBWHYSNY-SNVBAGLBSA-N 1 2 268.748 1.279 20 30 CDEDLO C=CCCC(=O)NCC[N@@H+](C)Cc1c(C)nnn1CC ZINC001753045591 1185014954 /nfs/dbraw/zinc/01/49/54/1185014954.db2.gz WTHVLQKVWNRQBI-UHFFFAOYSA-N 1 2 279.388 1.121 20 30 CDEDLO C=CCCC(=O)NCC[N@H+](C)Cc1c(C)nnn1CC ZINC001753045591 1185014957 /nfs/dbraw/zinc/01/49/57/1185014957.db2.gz WTHVLQKVWNRQBI-UHFFFAOYSA-N 1 2 279.388 1.121 20 30 CDEDLO C=CCCC(=O)NC[C@H]1CCC[N@H+]1Cc1nccc(C)n1 ZINC001753097323 1185057621 /nfs/dbraw/zinc/05/76/21/1185057621.db2.gz FDQGTPZZUYCTCI-CQSZACIVSA-N 1 2 288.395 1.832 20 30 CDEDLO C=CCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1nccc(C)n1 ZINC001753097323 1185057626 /nfs/dbraw/zinc/05/76/26/1185057626.db2.gz FDQGTPZZUYCTCI-CQSZACIVSA-N 1 2 288.395 1.832 20 30 CDEDLO C=CC(C)(C)C(=O)NC[C@H](CC)[NH2+]Cc1nc(C)no1 ZINC001753485605 1185230979 /nfs/dbraw/zinc/23/09/79/1185230979.db2.gz YSSLEOMXXMZKRB-NSHDSACASA-N 1 2 280.372 1.575 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)C1CCCC1 ZINC001754499103 1185644308 /nfs/dbraw/zinc/64/43/08/1185644308.db2.gz BKGPTXWUQPCUJZ-GDBMZVCRSA-N 1 2 292.423 1.653 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)C1CCCC1 ZINC001754499103 1185644310 /nfs/dbraw/zinc/64/43/10/1185644310.db2.gz BKGPTXWUQPCUJZ-GDBMZVCRSA-N 1 2 292.423 1.653 20 30 CDEDLO C=CC[NH+]1CCN(c2ncc(F)cc2C(=O)OCC)CC1 ZINC001165033324 721864478 /nfs/dbraw/zinc/86/44/78/721864478.db2.gz JZOAQWGJJMNBAU-UHFFFAOYSA-N 1 2 293.342 1.705 20 30 CDEDLO CC[C@H](C)C[N@H+](C)Cn1nc(CC#N)n(C)c1=S ZINC000794628503 1164526998 /nfs/dbraw/zinc/52/69/98/1164526998.db2.gz MVUMVWZWIMBQFA-JTQLQIEISA-N 1 2 267.402 1.953 20 30 CDEDLO CC[C@H](C)C[N@@H+](C)Cn1nc(CC#N)n(C)c1=S ZINC000794628503 1164527003 /nfs/dbraw/zinc/52/70/03/1164527003.db2.gz MVUMVWZWIMBQFA-JTQLQIEISA-N 1 2 267.402 1.953 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C[C@@H](C)CC)C1 ZINC000885511393 820385741 /nfs/dbraw/zinc/38/57/41/820385741.db2.gz HMSFTVIRLHEVMP-STQMWFEESA-N 1 2 272.414 1.050 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C[C@@H](C)CC)C1 ZINC000885511393 820385753 /nfs/dbraw/zinc/38/57/53/820385753.db2.gz HMSFTVIRLHEVMP-STQMWFEESA-N 1 2 272.414 1.050 20 30 CDEDLO C=CCN1CCN(C[N@H+]2C[C@H](C)OC3(CCCC3)C2)C1=O ZINC000842644411 818065435 /nfs/dbraw/zinc/06/54/35/818065435.db2.gz XOHWGCUYUHEVCW-AWEZNQCLSA-N 1 2 293.411 1.901 20 30 CDEDLO C=CCN1CCN(C[N@@H+]2C[C@H](C)OC3(CCCC3)C2)C1=O ZINC000842644411 818065440 /nfs/dbraw/zinc/06/54/40/818065440.db2.gz XOHWGCUYUHEVCW-AWEZNQCLSA-N 1 2 293.411 1.901 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccnc3ccncc32)C1 ZINC001043477931 818079216 /nfs/dbraw/zinc/07/92/16/818079216.db2.gz KHKIMLPPJLHQCB-UHFFFAOYSA-N 1 2 282.347 1.572 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001031441165 818099276 /nfs/dbraw/zinc/09/92/76/818099276.db2.gz SUBIERGCICFGMD-UHFFFAOYSA-N 1 2 282.387 1.850 20 30 CDEDLO C=CCC[C@H]([NH2+]Cc1nnc(COC)[nH]1)[C@@H]1CCCO1 ZINC000883234502 818125182 /nfs/dbraw/zinc/12/51/82/818125182.db2.gz GZULQEIVBPBIDG-RYUDHWBXSA-N 1 2 280.372 1.555 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2nc(C)c(C)s2)C1 ZINC001031407735 818161306 /nfs/dbraw/zinc/16/13/06/818161306.db2.gz DGWNKCCENIAQDO-UHFFFAOYSA-N 1 2 265.382 1.750 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](CCOC3CCC3)C2)cn1 ZINC001031278373 818204369 /nfs/dbraw/zinc/20/43/69/818204369.db2.gz KCHGPPKUSRWCAK-UHFFFAOYSA-N 1 2 299.374 1.046 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCC(=O)NCC(C)(C)C)cc1 ZINC000863454640 818245975 /nfs/dbraw/zinc/24/59/75/818245975.db2.gz YDAKGPTUWXFJHB-UHFFFAOYSA-N 1 2 293.367 1.494 20 30 CDEDLO Cc1ccc(NC(=O)N2CC[C@@](F)(C#N)C2)c(N(C)C)[nH+]1 ZINC000786120296 818264829 /nfs/dbraw/zinc/26/48/29/818264829.db2.gz LCWHJLCTRMBQHP-CQSZACIVSA-N 1 2 291.330 1.926 20 30 CDEDLO C#CCN1CC[N@H+](CC#C)[C@@H](Cc2ccc(F)cc2)C1 ZINC000886374771 818273917 /nfs/dbraw/zinc/27/39/17/818273917.db2.gz MGYGBUXNCZMKRX-KRWDZBQOSA-N 1 2 270.351 1.621 20 30 CDEDLO C#CCN1CC[N@@H+](CC#C)[C@@H](Cc2ccc(F)cc2)C1 ZINC000886374771 818273925 /nfs/dbraw/zinc/27/39/25/818273925.db2.gz MGYGBUXNCZMKRX-KRWDZBQOSA-N 1 2 270.351 1.621 20 30 CDEDLO Cc1ccc(-c2nnc([C@@H](C)O[NH+]=C(N)CCO)o2)cc1 ZINC000121325083 818277141 /nfs/dbraw/zinc/27/71/41/818277141.db2.gz NBEUNWWCKFHSHZ-SNVBAGLBSA-N 1 2 290.323 1.777 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000884142748 818277608 /nfs/dbraw/zinc/27/76/08/818277608.db2.gz KCUMIHOUADJHBC-LOWDOPEQSA-N 1 2 282.384 1.374 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000854043584 818340733 /nfs/dbraw/zinc/34/07/33/818340733.db2.gz NJFYVRHYFUJPLE-OCCSQVGLSA-N 1 2 271.364 1.602 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000854043584 818340742 /nfs/dbraw/zinc/34/07/42/818340742.db2.gz NJFYVRHYFUJPLE-OCCSQVGLSA-N 1 2 271.364 1.602 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cc1cn(CCC=C)nn1 ZINC000852749787 818347053 /nfs/dbraw/zinc/34/70/53/818347053.db2.gz GNKNQIKEWVCNKD-UHFFFAOYSA-N 1 2 262.357 1.326 20 30 CDEDLO C#CCC[N@H+](CCOC)Cc1cn(CCC=C)nn1 ZINC000852749787 818347059 /nfs/dbraw/zinc/34/70/59/818347059.db2.gz GNKNQIKEWVCNKD-UHFFFAOYSA-N 1 2 262.357 1.326 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1[C@H](C)CC ZINC000884148611 818364229 /nfs/dbraw/zinc/36/42/29/818364229.db2.gz PBEVBYDOTRDVOM-RDBSUJKOSA-N 1 2 296.411 1.860 20 30 CDEDLO C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CN(CC#N)C1 ZINC000969974193 818376267 /nfs/dbraw/zinc/37/62/67/818376267.db2.gz UKKXGTNMKGJWRE-SNVBAGLBSA-N 1 2 283.335 1.137 20 30 CDEDLO CC(C)(C)c1cn(CC(=O)N[C@@](C)(C#N)C2CC2)c[nH+]1 ZINC000865375383 818376676 /nfs/dbraw/zinc/37/66/76/818376676.db2.gz UUWKBBTZBBYWDQ-HNNXBMFYSA-N 1 2 274.368 1.989 20 30 CDEDLO Cn1c(CC#N)nn(C[N@H+](C)C2CCCC2)c1=S ZINC000794617075 818431593 /nfs/dbraw/zinc/43/15/93/818431593.db2.gz SEXOFSMLUMEVRX-UHFFFAOYSA-N 1 2 265.386 1.849 20 30 CDEDLO Cn1c(CC#N)nn(C[N@@H+](C)C2CCCC2)c1=S ZINC000794617075 818431597 /nfs/dbraw/zinc/43/15/97/818431597.db2.gz SEXOFSMLUMEVRX-UHFFFAOYSA-N 1 2 265.386 1.849 20 30 CDEDLO C#CCC[NH+]1CCN(S(=O)(=O)CCC2CCC2)CC1 ZINC000809392536 818434518 /nfs/dbraw/zinc/43/45/18/818434518.db2.gz VYWNQYIWEAVYAW-UHFFFAOYSA-N 1 2 284.425 1.147 20 30 CDEDLO C[C@@H](CCC#N)[NH+]1CCN(Cc2cncs2)CC1 ZINC000931360257 818501802 /nfs/dbraw/zinc/50/18/02/818501802.db2.gz WEMUTVNQNNWDFM-LBPRGKRZSA-N 1 2 264.398 1.953 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(F)nc1 ZINC000189275526 818516129 /nfs/dbraw/zinc/51/61/29/818516129.db2.gz YAVNWINPXVHOAN-UHFFFAOYSA-N 1 2 292.358 1.269 20 30 CDEDLO CC[N@H+](C[C@H]1CCOC1)Cn1nc(CC#N)n(C)c1=S ZINC000794631673 818536076 /nfs/dbraw/zinc/53/60/76/818536076.db2.gz NCNUKQIECXHTIM-LLVKDONJSA-N 1 2 295.412 1.333 20 30 CDEDLO CC[N@@H+](C[C@H]1CCOC1)Cn1nc(CC#N)n(C)c1=S ZINC000794631673 818536084 /nfs/dbraw/zinc/53/60/84/818536084.db2.gz NCNUKQIECXHTIM-LLVKDONJSA-N 1 2 295.412 1.333 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001035574611 818572928 /nfs/dbraw/zinc/57/29/28/818572928.db2.gz NAAZICQYDXWMAV-ZDUSSCGKSA-N 1 2 289.379 1.120 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001035574611 818572941 /nfs/dbraw/zinc/57/29/41/818572941.db2.gz NAAZICQYDXWMAV-ZDUSSCGKSA-N 1 2 289.379 1.120 20 30 CDEDLO C#CC[C@@H](CO)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000816670029 818576323 /nfs/dbraw/zinc/57/63/23/818576323.db2.gz KBUZZPNGVBHNJY-HNNXBMFYSA-N 1 2 283.331 1.045 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(CC)c1C1CC1 ZINC001038902024 818636203 /nfs/dbraw/zinc/63/62/03/818636203.db2.gz YHLCGLVDDGLVSG-CYBMUJFWSA-N 1 2 286.379 1.218 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(CC)c1C1CC1 ZINC001038902024 818636208 /nfs/dbraw/zinc/63/62/08/818636208.db2.gz YHLCGLVDDGLVSG-CYBMUJFWSA-N 1 2 286.379 1.218 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2nccn21 ZINC001017732676 818684207 /nfs/dbraw/zinc/68/42/07/818684207.db2.gz YPIYMASIBYMUEG-OKILXGFUSA-N 1 2 294.358 1.256 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2nccn21 ZINC001017732676 818684215 /nfs/dbraw/zinc/68/42/15/818684215.db2.gz YPIYMASIBYMUEG-OKILXGFUSA-N 1 2 294.358 1.256 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1coc(C)n1)CO2 ZINC001053786507 818730831 /nfs/dbraw/zinc/73/08/31/818730831.db2.gz IYXACDVOIAIUDR-LBPRGKRZSA-N 1 2 291.351 1.132 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(-c3ncon3)cc2)C1 ZINC001031273854 818743292 /nfs/dbraw/zinc/74/32/92/818743292.db2.gz IBUZQFDJZARVIH-UHFFFAOYSA-N 1 2 298.346 1.727 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2OC)C1 ZINC001035589592 818752239 /nfs/dbraw/zinc/75/22/39/818752239.db2.gz QZCZROGJVDMVIE-ZDUSSCGKSA-N 1 2 290.363 1.312 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2OC)C1 ZINC001035589592 818752247 /nfs/dbraw/zinc/75/22/47/818752247.db2.gz QZCZROGJVDMVIE-ZDUSSCGKSA-N 1 2 290.363 1.312 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1nnn(C)c1C ZINC001027802419 818760300 /nfs/dbraw/zinc/76/03/00/818760300.db2.gz MYLHYQKDYDCQMO-NSHDSACASA-N 1 2 297.790 1.070 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1nnn(C)c1C ZINC001027802419 818760304 /nfs/dbraw/zinc/76/03/04/818760304.db2.gz MYLHYQKDYDCQMO-NSHDSACASA-N 1 2 297.790 1.070 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nccn1C ZINC000960494144 818766053 /nfs/dbraw/zinc/76/60/53/818766053.db2.gz MVUFPTAPLJQDII-QWHCGFSZSA-N 1 2 289.383 1.003 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nccn1C ZINC000960494144 818766061 /nfs/dbraw/zinc/76/60/61/818766061.db2.gz MVUFPTAPLJQDII-QWHCGFSZSA-N 1 2 289.383 1.003 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(F)C(F)(F)F ZINC001049480186 818779781 /nfs/dbraw/zinc/77/97/81/818779781.db2.gz DWUFIEKBAFBPRE-AXFHLTTASA-N 1 2 292.276 1.585 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(F)C(F)(F)F ZINC001049480186 818779788 /nfs/dbraw/zinc/77/97/88/818779788.db2.gz DWUFIEKBAFBPRE-AXFHLTTASA-N 1 2 292.276 1.585 20 30 CDEDLO C[C@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)N(C)CCC#N ZINC000845279296 818809638 /nfs/dbraw/zinc/80/96/38/818809638.db2.gz YRVRCSQOUYGVKK-RYUDHWBXSA-N 1 2 292.339 1.138 20 30 CDEDLO C=CC(C)(C)CC(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000878442989 818820915 /nfs/dbraw/zinc/82/09/15/818820915.db2.gz MSDZJSPLCSCCGZ-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO C=CC(C)(C)CC(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000878442989 818820921 /nfs/dbraw/zinc/82/09/21/818820921.db2.gz MSDZJSPLCSCCGZ-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cnccc2C)C1 ZINC001014774409 818831772 /nfs/dbraw/zinc/83/17/72/818831772.db2.gz DUDZFBSUQARVTQ-AWEZNQCLSA-N 1 2 293.798 1.876 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cnccc2C)C1 ZINC001014774409 818831775 /nfs/dbraw/zinc/83/17/75/818831775.db2.gz DUDZFBSUQARVTQ-AWEZNQCLSA-N 1 2 293.798 1.876 20 30 CDEDLO COc1ccc(C[NH2+]Cc2nonc2C)cc1C#N ZINC000809744206 818839012 /nfs/dbraw/zinc/83/90/12/818839012.db2.gz ALKBGAQAFOEDML-UHFFFAOYSA-N 1 2 258.281 1.548 20 30 CDEDLO C[C@@H](C#N)OCCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000801912306 818840370 /nfs/dbraw/zinc/84/03/70/818840370.db2.gz MNHXEYXLLZNVGN-HNNXBMFYSA-N 1 2 298.390 1.605 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H](C)CO2)CC1 ZINC001000967815 818864757 /nfs/dbraw/zinc/86/47/57/818864757.db2.gz JBNBQHCDOSOZHO-FZMZJTMJSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H](C)CO2)CC1 ZINC001000967815 818864759 /nfs/dbraw/zinc/86/47/59/818864759.db2.gz JBNBQHCDOSOZHO-FZMZJTMJSA-N 1 2 298.814 1.912 20 30 CDEDLO C=CCOCCCC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800175235 818900278 /nfs/dbraw/zinc/90/02/78/818900278.db2.gz KFBBGYVPYLMGPY-ZDUSSCGKSA-N 1 2 271.357 1.233 20 30 CDEDLO C=CCOCCCC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800175235 818900284 /nfs/dbraw/zinc/90/02/84/818900284.db2.gz KFBBGYVPYLMGPY-ZDUSSCGKSA-N 1 2 271.357 1.233 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H](OC)C2)C1 ZINC001043692562 818900968 /nfs/dbraw/zinc/90/09/68/818900968.db2.gz OENQRGOOLIFROZ-DZGCQCFKSA-N 1 2 280.412 1.910 20 30 CDEDLO CCCCCCCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000882435972 818918283 /nfs/dbraw/zinc/91/82/83/818918283.db2.gz NDJWNCJCMQFQKQ-UHFFFAOYSA-N 1 2 273.402 1.773 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCOC[C@H]2C)C1 ZINC001031958426 818925264 /nfs/dbraw/zinc/92/52/64/818925264.db2.gz VBIBVAXFZHOXGK-ZWNOBZJWSA-N 1 2 286.803 1.460 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001038358641 818938859 /nfs/dbraw/zinc/93/88/59/818938859.db2.gz AWVDRQYDOIRWNX-NSHDSACASA-N 1 2 298.346 1.096 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001038358641 818938866 /nfs/dbraw/zinc/93/88/66/818938866.db2.gz AWVDRQYDOIRWNX-NSHDSACASA-N 1 2 298.346 1.096 20 30 CDEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)CCC)C2)CC1 ZINC001051971103 819009559 /nfs/dbraw/zinc/00/95/59/819009559.db2.gz PUDPRDOBZRDIEV-CQSZACIVSA-N 1 2 299.846 1.758 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccn3nccc23)C1 ZINC001030609008 819029937 /nfs/dbraw/zinc/02/99/37/819029937.db2.gz INJZIQWOLNBTDU-UHFFFAOYSA-N 1 2 270.336 1.324 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c(C)nn(CCC)c2C)C1 ZINC001031221788 819060786 /nfs/dbraw/zinc/06/07/86/819060786.db2.gz AMDWEFHEOBXSCE-UHFFFAOYSA-N 1 2 288.395 1.347 20 30 CDEDLO C=C(C)C[C@@H](CO)Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000883006396 819097536 /nfs/dbraw/zinc/09/75/36/819097536.db2.gz QSEFGFMKIQOYPV-LBPRGKRZSA-N 1 2 294.424 1.769 20 30 CDEDLO C=C(C)C[C@@H](CO)Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000883006396 819097540 /nfs/dbraw/zinc/09/75/40/819097540.db2.gz QSEFGFMKIQOYPV-LBPRGKRZSA-N 1 2 294.424 1.769 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1noc(C(F)F)n1 ZINC000819569668 819102328 /nfs/dbraw/zinc/10/23/28/819102328.db2.gz AWRBAQNAWFFYGU-IUCAKERBSA-N 1 2 298.293 1.282 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1noc(C(F)F)n1 ZINC000819569668 819102332 /nfs/dbraw/zinc/10/23/32/819102332.db2.gz AWRBAQNAWFFYGU-IUCAKERBSA-N 1 2 298.293 1.282 20 30 CDEDLO CC[C@@H]1C[N@H+](CCO[C@H](C)C#N)C[C@@H](C)[S@@]1=O ZINC000796376046 819131416 /nfs/dbraw/zinc/13/14/16/819131416.db2.gz HKXJJTQCMGPXKX-VFFPBDHRSA-N 1 2 258.387 1.146 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCO[C@H](C)C#N)C[C@@H](C)[S@@]1=O ZINC000796376046 819131422 /nfs/dbraw/zinc/13/14/22/819131422.db2.gz HKXJJTQCMGPXKX-VFFPBDHRSA-N 1 2 258.387 1.146 20 30 CDEDLO CCCCCCCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000858110391 819154737 /nfs/dbraw/zinc/15/47/37/819154737.db2.gz BBPWVVQLFBEHEB-CQSZACIVSA-N 1 2 285.432 1.977 20 30 CDEDLO CCCCCCCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000858110391 819154749 /nfs/dbraw/zinc/15/47/49/819154749.db2.gz BBPWVVQLFBEHEB-CQSZACIVSA-N 1 2 285.432 1.977 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)c(F)c1F ZINC001038726471 819160112 /nfs/dbraw/zinc/16/01/12/819160112.db2.gz ULAQPXWFJAOBFZ-NSHDSACASA-N 1 2 278.302 1.711 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)c(F)c1F ZINC001038726471 819160118 /nfs/dbraw/zinc/16/01/18/819160118.db2.gz ULAQPXWFJAOBFZ-NSHDSACASA-N 1 2 278.302 1.711 20 30 CDEDLO C=CCC[N@H+]1CC[C@@](C)(NC(=O)c2c[nH]cc3ncnc2-3)C1 ZINC001046337194 819205736 /nfs/dbraw/zinc/20/57/36/819205736.db2.gz XXHJPCFDVSKKOD-MRXNPFEDSA-N 1 2 299.378 1.728 20 30 CDEDLO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2c[nH]cc3ncnc2-3)C1 ZINC001046337194 819205751 /nfs/dbraw/zinc/20/57/51/819205751.db2.gz XXHJPCFDVSKKOD-MRXNPFEDSA-N 1 2 299.378 1.728 20 30 CDEDLO Cc1ncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C)C#N)s1 ZINC001032316933 819210961 /nfs/dbraw/zinc/21/09/61/819210961.db2.gz KKNXNGRJZXHMKC-DLOVCJGASA-N 1 2 290.392 1.396 20 30 CDEDLO Cc1ncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C)C#N)s1 ZINC001032316933 819210974 /nfs/dbraw/zinc/21/09/74/819210974.db2.gz KKNXNGRJZXHMKC-DLOVCJGASA-N 1 2 290.392 1.396 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccsn1)O2 ZINC001053615140 819219197 /nfs/dbraw/zinc/21/91/97/819219197.db2.gz BUILRJLKXQXSNQ-NSHDSACASA-N 1 2 293.392 1.292 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC001039346207 819239713 /nfs/dbraw/zinc/23/97/13/819239713.db2.gz BTICWBQFFAIZNT-RTXFEEFZSA-N 1 2 281.787 1.964 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC001039346207 819239721 /nfs/dbraw/zinc/23/97/21/819239721.db2.gz BTICWBQFFAIZNT-RTXFEEFZSA-N 1 2 281.787 1.964 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000820660810 819305510 /nfs/dbraw/zinc/30/55/10/819305510.db2.gz MCAJNKRTPXKDDK-KGLIPLIRSA-N 1 2 281.400 1.150 20 30 CDEDLO CCOc1ccc(O)c(/C=N/[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000193334653 819311214 /nfs/dbraw/zinc/31/12/14/819311214.db2.gz ZHHHLHUESACISY-HNEYUBDGSA-N 1 2 292.379 1.931 20 30 CDEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCCC#N ZINC000357112073 819322596 /nfs/dbraw/zinc/32/25/96/819322596.db2.gz VKCNFYSCUSOKGY-UHFFFAOYSA-N 1 2 278.262 1.653 20 30 CDEDLO CN(C)c1[nH+]cc(/C=C2/Oc3cc(O)ccc3C2=O)n1C ZINC000821037925 819329266 /nfs/dbraw/zinc/32/92/66/819329266.db2.gz FLPSOWCGCSFJSO-AWNIVKPZSA-N 1 2 285.303 1.808 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2cc[nH]c2c1 ZINC001032467561 819341084 /nfs/dbraw/zinc/34/10/84/819341084.db2.gz OYIRCFSQPNPMHB-KBPBESRZSA-N 1 2 294.358 1.485 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2cc[nH]c2c1 ZINC001032467561 819341092 /nfs/dbraw/zinc/34/10/92/819341092.db2.gz OYIRCFSQPNPMHB-KBPBESRZSA-N 1 2 294.358 1.485 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(CC)nnc2C)C1 ZINC001043467297 819356031 /nfs/dbraw/zinc/35/60/31/819356031.db2.gz PLEJOKWZLJEGON-UHFFFAOYSA-N 1 2 286.379 1.127 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2cccc(OC)c21 ZINC001038785152 819373932 /nfs/dbraw/zinc/37/39/32/819373932.db2.gz HOAGUBNYADEJFI-CABCVRRESA-N 1 2 298.386 1.549 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2cccc(OC)c21 ZINC001038785152 819373939 /nfs/dbraw/zinc/37/39/39/819373939.db2.gz HOAGUBNYADEJFI-CABCVRRESA-N 1 2 298.386 1.549 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(Cl)[nH]2)C1 ZINC001035499546 819389845 /nfs/dbraw/zinc/38/98/45/819389845.db2.gz LSZGOMWMVOIVAA-LLVKDONJSA-N 1 2 297.786 1.675 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(Cl)[nH]2)C1 ZINC001035499546 819389855 /nfs/dbraw/zinc/38/98/55/819389855.db2.gz LSZGOMWMVOIVAA-LLVKDONJSA-N 1 2 297.786 1.675 20 30 CDEDLO C=CC[C@H](OC(=O)c1ccn2c(C)c[nH+]c2c1)C(=O)OC ZINC000884569190 819434807 /nfs/dbraw/zinc/43/48/07/819434807.db2.gz FKFADEMZVNVYRE-LBPRGKRZSA-N 1 2 288.303 1.917 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c[nH]c(Br)c1 ZINC001038524841 819524255 /nfs/dbraw/zinc/52/42/55/819524255.db2.gz JJODKLCBWVGGAQ-JTQLQIEISA-N 1 2 296.168 1.215 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]c(Br)c1 ZINC001038524841 819524267 /nfs/dbraw/zinc/52/42/67/819524267.db2.gz JJODKLCBWVGGAQ-JTQLQIEISA-N 1 2 296.168 1.215 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1CS(N)(=O)=O ZINC000931226989 819598383 /nfs/dbraw/zinc/59/83/83/819598383.db2.gz ZUKDGILYFIALNV-AWEZNQCLSA-N 1 2 293.392 1.201 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1CS(N)(=O)=O ZINC000931226989 819598437 /nfs/dbraw/zinc/59/84/37/819598437.db2.gz ZUKDGILYFIALNV-AWEZNQCLSA-N 1 2 293.392 1.201 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(N(C)C)ccn1 ZINC001032812425 819634002 /nfs/dbraw/zinc/63/40/02/819634002.db2.gz DDUCBGVRSSDLQH-GJZGRUSLSA-N 1 2 298.390 1.070 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(N(C)C)ccn1 ZINC001032812425 819634023 /nfs/dbraw/zinc/63/40/23/819634023.db2.gz DDUCBGVRSSDLQH-GJZGRUSLSA-N 1 2 298.390 1.070 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C)CC1(C)C ZINC000884143760 819649718 /nfs/dbraw/zinc/64/97/18/819649718.db2.gz QKEGYYKEWVOKMN-MNOVXSKESA-N 1 2 268.357 1.080 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)OCCc1c[nH+]cn1C ZINC000793251102 819677460 /nfs/dbraw/zinc/67/74/60/819677460.db2.gz ODOVVPQUBPOBBD-NSHDSACASA-N 1 2 252.314 1.487 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)C(C)(C)CC ZINC000884399745 819827658 /nfs/dbraw/zinc/82/76/58/819827658.db2.gz MRLDATLJDDNRFZ-MNOVXSKESA-N 1 2 270.373 1.374 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C(C)(C)C2CCOCC2)C1 ZINC001030647462 819831040 /nfs/dbraw/zinc/83/10/40/819831040.db2.gz FBMPDHNXJAWHKC-UHFFFAOYSA-N 1 2 278.396 1.263 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1CC)CO2 ZINC001053929751 819835926 /nfs/dbraw/zinc/83/59/26/819835926.db2.gz HNXYZDULTSFIBG-MGPQQGTHSA-N 1 2 278.396 1.568 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2ccn[nH]2)C1 ZINC001027343007 819837714 /nfs/dbraw/zinc/83/77/14/819837714.db2.gz OCCHCEOWQGFOHU-CYBMUJFWSA-N 1 2 296.802 1.628 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)Cc2ccn[nH]2)C1 ZINC001027343007 819837719 /nfs/dbraw/zinc/83/77/19/819837719.db2.gz OCCHCEOWQGFOHU-CYBMUJFWSA-N 1 2 296.802 1.628 20 30 CDEDLO C#C[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000184695976 819850237 /nfs/dbraw/zinc/85/02/37/819850237.db2.gz YMBXARBHTNZQTR-GZMMTYOYSA-N 1 2 281.153 1.587 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C)c1 ZINC001038033268 819859965 /nfs/dbraw/zinc/85/99/65/819859965.db2.gz QXGGRIJCTIEVFY-HNNXBMFYSA-N 1 2 256.349 1.822 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(C)c1 ZINC001038033268 819859967 /nfs/dbraw/zinc/85/99/67/819859967.db2.gz QXGGRIJCTIEVFY-HNNXBMFYSA-N 1 2 256.349 1.822 20 30 CDEDLO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1nccs1 ZINC001024725803 819876004 /nfs/dbraw/zinc/87/60/04/819876004.db2.gz KHWTZFJXXYCKGH-NSHDSACASA-N 1 2 263.366 1.361 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1nccs1 ZINC001024725803 819876005 /nfs/dbraw/zinc/87/60/05/819876005.db2.gz KHWTZFJXXYCKGH-NSHDSACASA-N 1 2 263.366 1.361 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1snnc1CC ZINC001038485416 819888002 /nfs/dbraw/zinc/88/80/02/819888002.db2.gz WLWAFFZBZILXML-JTQLQIEISA-N 1 2 280.397 1.481 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1snnc1CC ZINC001038485416 819888003 /nfs/dbraw/zinc/88/80/03/819888003.db2.gz WLWAFFZBZILXML-JTQLQIEISA-N 1 2 280.397 1.481 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccco1 ZINC001032622320 819895210 /nfs/dbraw/zinc/89/52/10/819895210.db2.gz KGELABHTYUKRCZ-RDBSUJKOSA-N 1 2 272.348 1.692 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccco1 ZINC001032622320 819895211 /nfs/dbraw/zinc/89/52/11/819895211.db2.gz KGELABHTYUKRCZ-RDBSUJKOSA-N 1 2 272.348 1.692 20 30 CDEDLO N#C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)C1CCCCC1 ZINC000866344221 819897970 /nfs/dbraw/zinc/89/79/70/819897970.db2.gz RQKFYNKUVKCEFY-QZDDGCDVSA-N 1 2 291.395 1.463 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2cnc(CC)s2)CC[C@@H]1C ZINC001072109864 819898297 /nfs/dbraw/zinc/89/82/97/819898297.db2.gz OBEMKFDKFMZTKL-NWDGAFQWSA-N 1 2 291.420 1.921 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2cnc(CC)s2)CC[C@@H]1C ZINC001072109864 819898298 /nfs/dbraw/zinc/89/82/98/819898298.db2.gz OBEMKFDKFMZTKL-NWDGAFQWSA-N 1 2 291.420 1.921 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2scnc2C(F)F)C1 ZINC001015227197 820036920 /nfs/dbraw/zinc/03/69/20/820036920.db2.gz DVUVWXQVIRXZNO-MRVPVSSYSA-N 1 2 285.319 1.518 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2scnc2C(F)F)C1 ZINC001015227197 820036931 /nfs/dbraw/zinc/03/69/31/820036931.db2.gz DVUVWXQVIRXZNO-MRVPVSSYSA-N 1 2 285.319 1.518 20 30 CDEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(C)=O)C1 ZINC001034055883 820046467 /nfs/dbraw/zinc/04/64/67/820046467.db2.gz CRBWIWZDXGPBSX-LLVKDONJSA-N 1 2 275.190 1.886 20 30 CDEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(C)=O)C1 ZINC001034055883 820046478 /nfs/dbraw/zinc/04/64/78/820046478.db2.gz CRBWIWZDXGPBSX-LLVKDONJSA-N 1 2 275.190 1.886 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2scnc2Cl)nn1 ZINC000881391068 820048213 /nfs/dbraw/zinc/04/82/13/820048213.db2.gz OBNCAQQUCKHJKH-UHFFFAOYSA-N 1 2 281.772 1.549 20 30 CDEDLO COc1ccc(CC(N)=[NH+]OCC(=O)NC(C)C)cc1 ZINC000060455375 820054778 /nfs/dbraw/zinc/05/47/78/820054778.db2.gz VAXKOLCEDIXHBZ-UHFFFAOYSA-N 1 2 279.340 1.051 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C2)CCC1 ZINC000784347772 820099240 /nfs/dbraw/zinc/09/92/40/820099240.db2.gz VGGQAKBUKJYHBQ-SECBINFHSA-N 1 2 275.274 1.433 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C2)CCC1 ZINC000784347772 820099257 /nfs/dbraw/zinc/09/92/57/820099257.db2.gz VGGQAKBUKJYHBQ-SECBINFHSA-N 1 2 275.274 1.433 20 30 CDEDLO Cn1ncc(C#N)c1N1CCC([N@H+](C)CC(F)F)CC1 ZINC000853413308 820215480 /nfs/dbraw/zinc/21/54/80/820215480.db2.gz SEVHDVAVOYCRKK-UHFFFAOYSA-N 1 2 283.326 1.457 20 30 CDEDLO Cn1ncc(C#N)c1N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000853413308 820215487 /nfs/dbraw/zinc/21/54/87/820215487.db2.gz SEVHDVAVOYCRKK-UHFFFAOYSA-N 1 2 283.326 1.457 20 30 CDEDLO C#C[C@@H](NC(=O)NCc1cc(C)[nH+]c(C)c1)[C@H]1CCCO1 ZINC000817165425 820224759 /nfs/dbraw/zinc/22/47/59/820224759.db2.gz MFUZEYWXYPFVLY-HUUCEWRRSA-N 1 2 287.363 1.678 20 30 CDEDLO C#CCN(CC#CC)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000828824621 820246771 /nfs/dbraw/zinc/24/67/71/820246771.db2.gz HHKSTYIQGAWYFO-CHWSQXEVSA-N 1 2 255.321 1.009 20 30 CDEDLO Cc1cc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)no1 ZINC001027336103 820260274 /nfs/dbraw/zinc/26/02/74/820260274.db2.gz NKUISYDCWSSDHA-RISCZKNCSA-N 1 2 290.367 1.566 20 30 CDEDLO Cc1cc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)no1 ZINC001027336103 820260301 /nfs/dbraw/zinc/26/03/01/820260301.db2.gz NKUISYDCWSSDHA-RISCZKNCSA-N 1 2 290.367 1.566 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)C1 ZINC001031218190 820302222 /nfs/dbraw/zinc/30/22/22/820302222.db2.gz UTCFZTSLOHDCSB-HIFRSBDPSA-N 1 2 280.412 1.814 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnccn2)C1 ZINC001046109181 820350982 /nfs/dbraw/zinc/35/09/82/820350982.db2.gz HZGHOVQOFDAUNM-CYBMUJFWSA-N 1 2 280.759 1.423 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnccn2)C1 ZINC001046109181 820350994 /nfs/dbraw/zinc/35/09/94/820350994.db2.gz HZGHOVQOFDAUNM-CYBMUJFWSA-N 1 2 280.759 1.423 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2nc(C(C)(C)C)cs2)C1 ZINC001014812512 820364882 /nfs/dbraw/zinc/36/48/82/820364882.db2.gz SAMHAPZSHYDJOW-LLVKDONJSA-N 1 2 291.420 1.878 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2nc(C(C)(C)C)cs2)C1 ZINC001014812512 820364893 /nfs/dbraw/zinc/36/48/93/820364893.db2.gz SAMHAPZSHYDJOW-LLVKDONJSA-N 1 2 291.420 1.878 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CCO[C@H]2C(C)C)C1 ZINC001030418101 820388908 /nfs/dbraw/zinc/38/89/08/820388908.db2.gz FHAWWCCHEBYFMU-KBPBESRZSA-N 1 2 266.385 1.424 20 30 CDEDLO C[C@@H](C#N)OCC[N@H+](C)Cc1nccn1CC(F)(F)F ZINC000801917503 820435218 /nfs/dbraw/zinc/43/52/18/820435218.db2.gz FMLXDMDQHHMVAY-JTQLQIEISA-N 1 2 290.289 1.806 20 30 CDEDLO C[C@@H](C#N)OCC[N@@H+](C)Cc1nccn1CC(F)(F)F ZINC000801917503 820435233 /nfs/dbraw/zinc/43/52/33/820435233.db2.gz FMLXDMDQHHMVAY-JTQLQIEISA-N 1 2 290.289 1.806 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](F)Cc1ccccc1 ZINC001032796493 820475057 /nfs/dbraw/zinc/47/50/57/820475057.db2.gz COCWBBHSRSZUNK-HRCADAONSA-N 1 2 286.350 1.486 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](F)Cc1ccccc1 ZINC001032796493 820475109 /nfs/dbraw/zinc/47/51/09/820475109.db2.gz COCWBBHSRSZUNK-HRCADAONSA-N 1 2 286.350 1.486 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)no1 ZINC001027741806 820575314 /nfs/dbraw/zinc/57/53/14/820575314.db2.gz KYSXZKGYBPBFRE-LLVKDONJSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)no1 ZINC001027741806 820575350 /nfs/dbraw/zinc/57/53/50/820575350.db2.gz KYSXZKGYBPBFRE-LLVKDONJSA-N 1 2 283.759 1.930 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)[nH]nc1Cl ZINC001017607819 820663018 /nfs/dbraw/zinc/66/30/18/820663018.db2.gz HCTYPWLZUJSKRA-PHIMTYICSA-N 1 2 294.786 1.846 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)[nH]nc1Cl ZINC001017607819 820663038 /nfs/dbraw/zinc/66/30/38/820663038.db2.gz HCTYPWLZUJSKRA-PHIMTYICSA-N 1 2 294.786 1.846 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccnn2C)CC[C@@H]1C ZINC001071384018 820703149 /nfs/dbraw/zinc/70/31/49/820703149.db2.gz QKNHSMMKGBJYKZ-RYUDHWBXSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccnn2C)CC[C@@H]1C ZINC001071384018 820703185 /nfs/dbraw/zinc/70/31/85/820703185.db2.gz QKNHSMMKGBJYKZ-RYUDHWBXSA-N 1 2 296.802 1.755 20 30 CDEDLO C[N@H+](C[C@H](O)CC#N)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000809574993 820703493 /nfs/dbraw/zinc/70/34/93/820703493.db2.gz UTHVWLNNQAJZSF-HUUCEWRRSA-N 1 2 287.363 1.388 20 30 CDEDLO C[N@@H+](C[C@H](O)CC#N)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000809574993 820703531 /nfs/dbraw/zinc/70/35/31/820703531.db2.gz UTHVWLNNQAJZSF-HUUCEWRRSA-N 1 2 287.363 1.388 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001030498645 820816482 /nfs/dbraw/zinc/81/64/82/820816482.db2.gz LSNPXNHWICBZBB-UHFFFAOYSA-N 1 2 270.336 1.553 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2[nH]ccc21 ZINC001032642805 820837987 /nfs/dbraw/zinc/83/79/87/820837987.db2.gz DNSCWDLHCMBFFI-STQMWFEESA-N 1 2 279.343 1.700 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2[nH]ccc21 ZINC001032642805 820837988 /nfs/dbraw/zinc/83/79/88/820837988.db2.gz DNSCWDLHCMBFFI-STQMWFEESA-N 1 2 279.343 1.700 20 30 CDEDLO C#CC[N@@H+](Cc1nc2cc(C(=O)OC)ccc2[nH]1)C1CC1 ZINC000851937869 820840721 /nfs/dbraw/zinc/84/07/21/820840721.db2.gz CWPRXWJWLXCQJN-UHFFFAOYSA-N 1 2 283.331 1.947 20 30 CDEDLO C#CC[N@H+](Cc1nc2cc(C(=O)OC)ccc2[nH]1)C1CC1 ZINC000851937869 820840723 /nfs/dbraw/zinc/84/07/23/820840723.db2.gz CWPRXWJWLXCQJN-UHFFFAOYSA-N 1 2 283.331 1.947 20 30 CDEDLO C#C[C@H]([NH2+]Cc1cn(CCC=C)nn1)[C@H]1CCCO1 ZINC000846862584 820844180 /nfs/dbraw/zinc/84/41/80/820844180.db2.gz WGQOVRVEWQMWRN-UONOGXRCSA-N 1 2 260.341 1.125 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cc(C)on2)C1 ZINC001006942292 820844980 /nfs/dbraw/zinc/84/49/80/820844980.db2.gz AGXSDYCCBSTLTN-GFCCVEGCSA-N 1 2 297.786 1.859 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cc(C)on2)C1 ZINC001006942292 820844981 /nfs/dbraw/zinc/84/49/81/820844981.db2.gz AGXSDYCCBSTLTN-GFCCVEGCSA-N 1 2 297.786 1.859 20 30 CDEDLO C=C[C@@H](C)O[NH+]=Cc1cnc(N2CCOCC2)s1 ZINC000844621954 820854765 /nfs/dbraw/zinc/85/47/65/820854765.db2.gz QHXFVNYJYYWTMV-SNVBAGLBSA-N 1 2 267.354 1.905 20 30 CDEDLO C#CCOCC[N@H+]1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000851805477 820864298 /nfs/dbraw/zinc/86/42/98/820864298.db2.gz BYGDWYYPCGVLQR-KGLIPLIRSA-N 1 2 295.404 1.522 20 30 CDEDLO C#CCOCC[N@@H+]1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000851805477 820864299 /nfs/dbraw/zinc/86/42/99/820864299.db2.gz BYGDWYYPCGVLQR-KGLIPLIRSA-N 1 2 295.404 1.522 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CCC)[nH]n1 ZINC001032553303 820883650 /nfs/dbraw/zinc/88/36/50/820883650.db2.gz WRFJCKPRMLTFRK-KBPBESRZSA-N 1 2 288.395 1.837 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CCC)[nH]n1 ZINC001032553303 820883651 /nfs/dbraw/zinc/88/36/51/820883651.db2.gz WRFJCKPRMLTFRK-KBPBESRZSA-N 1 2 288.395 1.837 20 30 CDEDLO C[N@H+](CCC1(C#N)CCCCC1)CCS(C)(=O)=O ZINC000839480742 820892049 /nfs/dbraw/zinc/89/20/49/820892049.db2.gz UWWGIHNXYOBVOD-UHFFFAOYSA-N 1 2 272.414 1.827 20 30 CDEDLO C[N@@H+](CCC1(C#N)CCCCC1)CCS(C)(=O)=O ZINC000839480742 820892051 /nfs/dbraw/zinc/89/20/51/820892051.db2.gz UWWGIHNXYOBVOD-UHFFFAOYSA-N 1 2 272.414 1.827 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(Cl)no2)C1 ZINC000923552851 821007612 /nfs/dbraw/zinc/00/76/12/821007612.db2.gz DTKYVQAXPDAESC-VIFPVBQESA-N 1 2 267.716 1.155 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)no2)C1 ZINC000923552851 821007622 /nfs/dbraw/zinc/00/76/22/821007622.db2.gz DTKYVQAXPDAESC-VIFPVBQESA-N 1 2 267.716 1.155 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](Nc2ncnc(N)c2Cl)C1 ZINC000884611267 821018022 /nfs/dbraw/zinc/01/80/22/821018022.db2.gz IHOJKURVXDUYBW-VIFPVBQESA-N 1 2 265.748 1.222 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](Nc2ncnc(N)c2Cl)C1 ZINC000884611267 821018032 /nfs/dbraw/zinc/01/80/32/821018032.db2.gz IHOJKURVXDUYBW-VIFPVBQESA-N 1 2 265.748 1.222 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)c1ccncc1 ZINC001017659467 821037018 /nfs/dbraw/zinc/03/70/18/821037018.db2.gz UISPQPOGYRZMQU-BHYGNILZSA-N 1 2 297.402 1.884 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)c1ccncc1 ZINC001017659467 821037030 /nfs/dbraw/zinc/03/70/30/821037030.db2.gz UISPQPOGYRZMQU-BHYGNILZSA-N 1 2 297.402 1.884 20 30 CDEDLO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2=NC(=O)N(C)C2)[C@H]1C ZINC000986817881 821043108 /nfs/dbraw/zinc/04/31/08/821043108.db2.gz XROKHBGZBAXRLL-VHSXEESVSA-N 1 2 298.774 1.071 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)C1 ZINC001031484315 821136360 /nfs/dbraw/zinc/13/63/60/821136360.db2.gz UYGXGZWUMHWNOW-WBMJQRKESA-N 1 2 286.375 1.928 20 30 CDEDLO C#CCC1(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CCCCC1 ZINC000788192080 821217568 /nfs/dbraw/zinc/21/75/68/821217568.db2.gz GNBFWLPXFVABJM-OAHLLOKOSA-N 1 2 292.423 1.797 20 30 CDEDLO C#CCC1(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CCCCC1 ZINC000788192080 821217590 /nfs/dbraw/zinc/21/75/90/821217590.db2.gz GNBFWLPXFVABJM-OAHLLOKOSA-N 1 2 292.423 1.797 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]NCC1(C)CCCC1 ZINC000793085088 821232456 /nfs/dbraw/zinc/23/24/56/821232456.db2.gz XVGJDCDKFUBKKB-UHFFFAOYSA-N 1 2 263.345 1.571 20 30 CDEDLO C=CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1CC ZINC001037937161 821265754 /nfs/dbraw/zinc/26/57/54/821265754.db2.gz YIVHOGGRNKMGGO-GXTWGEPZSA-N 1 2 276.384 1.355 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccn1 ZINC001039531036 821340156 /nfs/dbraw/zinc/34/01/56/821340156.db2.gz HIOCRURQJSZBDL-CWRNSKLLSA-N 1 2 298.390 1.807 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccn1 ZINC001039531036 821340167 /nfs/dbraw/zinc/34/01/67/821340167.db2.gz HIOCRURQJSZBDL-CWRNSKLLSA-N 1 2 298.390 1.807 20 30 CDEDLO N#Cc1sc(NCCn2cc[nH+]c2)nc1Cl ZINC000236076676 821351235 /nfs/dbraw/zinc/35/12/35/821351235.db2.gz XXMUWMCTRXMNKX-UHFFFAOYSA-N 1 2 253.718 1.977 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccnn2C)[C@H]1C ZINC000993126458 821551383 /nfs/dbraw/zinc/55/13/83/821551383.db2.gz JXHZTGRAPCKXRM-NEPJUHHUSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccnn2C)[C@H]1C ZINC000993126458 821551414 /nfs/dbraw/zinc/55/14/14/821551414.db2.gz JXHZTGRAPCKXRM-NEPJUHHUSA-N 1 2 296.802 1.755 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CF)CCC1 ZINC001032637789 821615302 /nfs/dbraw/zinc/61/53/02/821615302.db2.gz VBVAUXMPLGECRD-STQMWFEESA-N 1 2 264.344 1.435 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CF)CCC1 ZINC001032637789 821615319 /nfs/dbraw/zinc/61/53/19/821615319.db2.gz VBVAUXMPLGECRD-STQMWFEESA-N 1 2 264.344 1.435 20 30 CDEDLO Cc1nc(NC[C@@H]2CCCN2C(=O)C#CC2CC2)cc[nH+]1 ZINC001064904784 821636792 /nfs/dbraw/zinc/63/67/92/821636792.db2.gz CKRZTZFNHQJPQX-AWEZNQCLSA-N 1 2 284.363 1.601 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2nccnc21 ZINC001038849104 821745056 /nfs/dbraw/zinc/74/50/56/821745056.db2.gz LPBSCTMINIYVAW-LBPRGKRZSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2nccnc21 ZINC001038849104 821745063 /nfs/dbraw/zinc/74/50/63/821745063.db2.gz LPBSCTMINIYVAW-LBPRGKRZSA-N 1 2 280.331 1.067 20 30 CDEDLO C#C[C@H]([NH2+]Cc1cn(Cc2ccccc2)nn1)[C@@H]1CCCO1 ZINC000775797255 821797523 /nfs/dbraw/zinc/79/75/23/821797523.db2.gz CATHFRRWYCXHOS-IRXDYDNUSA-N 1 2 296.374 1.597 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001051157958 821801545 /nfs/dbraw/zinc/80/15/45/821801545.db2.gz CQASUHSIOXWPCR-SOUVJXGZSA-N 1 2 278.396 1.426 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001051157958 821801549 /nfs/dbraw/zinc/80/15/49/821801549.db2.gz CQASUHSIOXWPCR-SOUVJXGZSA-N 1 2 278.396 1.426 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccn(C)c1)O2 ZINC001053592955 821831431 /nfs/dbraw/zinc/83/14/31/821831431.db2.gz WUMQDSDPQJGMMY-AWEZNQCLSA-N 1 2 289.379 1.174 20 30 CDEDLO Cc1noc([C@@H]2CCCC[N@H+]2CCO[C@H](C)C#N)n1 ZINC000796668377 821840650 /nfs/dbraw/zinc/84/06/50/821840650.db2.gz KPVUODHNLCUMDF-PWSUYJOCSA-N 1 2 264.329 1.834 20 30 CDEDLO Cc1noc([C@@H]2CCCC[N@@H+]2CCO[C@H](C)C#N)n1 ZINC000796668377 821840652 /nfs/dbraw/zinc/84/06/52/821840652.db2.gz KPVUODHNLCUMDF-PWSUYJOCSA-N 1 2 264.329 1.834 20 30 CDEDLO Cn1cccc1C(O)=CONC(=[NH2+])c1ccc(F)c(F)c1 ZINC000195193326 821861557 /nfs/dbraw/zinc/86/15/57/821861557.db2.gz HUZICYAQRBXQHX-UHFFFAOYSA-N 1 2 293.273 1.823 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001032410516 821871138 /nfs/dbraw/zinc/87/11/38/821871138.db2.gz HGCHCYXWBPELLH-YHUYYLMFSA-N 1 2 281.359 1.103 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001032410516 821871140 /nfs/dbraw/zinc/87/11/40/821871140.db2.gz HGCHCYXWBPELLH-YHUYYLMFSA-N 1 2 281.359 1.103 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(COC)n1 ZINC001018123580 821977987 /nfs/dbraw/zinc/97/79/87/821977987.db2.gz ZQLHIODENZFABE-TXEJJXNPSA-N 1 2 291.351 1.296 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(COC)n1 ZINC001018123580 821977997 /nfs/dbraw/zinc/97/79/97/821977997.db2.gz ZQLHIODENZFABE-TXEJJXNPSA-N 1 2 291.351 1.296 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000922958772 821998203 /nfs/dbraw/zinc/99/82/03/821998203.db2.gz ORLORJDTCCSZBV-MELADBBJSA-N 1 2 294.399 1.089 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cccc(=O)[nH]2)C1=O ZINC000933401401 822013492 /nfs/dbraw/zinc/01/34/92/822013492.db2.gz JQUFMKKVVWGEFM-LBPRGKRZSA-N 1 2 261.325 1.006 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cccc(=O)[nH]2)C1=O ZINC000933401401 822013500 /nfs/dbraw/zinc/01/35/00/822013500.db2.gz JQUFMKKVVWGEFM-LBPRGKRZSA-N 1 2 261.325 1.006 20 30 CDEDLO Cc1nc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)co1 ZINC000971210475 822078504 /nfs/dbraw/zinc/07/85/04/822078504.db2.gz HQPFNKCJWYQPBO-MFKMUULPSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1nc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)co1 ZINC000971210475 822078513 /nfs/dbraw/zinc/07/85/13/822078513.db2.gz HQPFNKCJWYQPBO-MFKMUULPSA-N 1 2 276.340 1.175 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c[nH]c(CC(C)C)n2)C1 ZINC001042720745 822095577 /nfs/dbraw/zinc/09/55/77/822095577.db2.gz RDMYVFIWGUIWTH-UHFFFAOYSA-N 1 2 290.411 1.941 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]ccc2n1 ZINC001038519386 822099037 /nfs/dbraw/zinc/09/90/37/822099037.db2.gz VKSLMJIWNQWQDA-NSHDSACASA-N 1 2 268.320 1.000 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]ccc2n1 ZINC001038519386 822099041 /nfs/dbraw/zinc/09/90/41/822099041.db2.gz VKSLMJIWNQWQDA-NSHDSACASA-N 1 2 268.320 1.000 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(OCC)cc2)C1 ZINC001044249930 822103223 /nfs/dbraw/zinc/10/32/23/822103223.db2.gz SUKZLFNTLYSUEE-UHFFFAOYSA-N 1 2 286.375 1.865 20 30 CDEDLO C[C@H](F)CC[NH+]1CC2(C1)CN(C(=O)C#CC1CC1)CCO2 ZINC001053250212 822183486 /nfs/dbraw/zinc/18/34/86/822183486.db2.gz KVOISYQUDWRFFF-ZDUSSCGKSA-N 1 2 294.370 1.061 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H]2OC)C1 ZINC001043147534 822208465 /nfs/dbraw/zinc/20/84/65/822208465.db2.gz ORFJNNRGORWRDK-STQMWFEESA-N 1 2 252.358 1.130 20 30 CDEDLO C[C@@H]1C(=NNS(C)(=O)=O)CCC[N@H+]1Cc1ccccc1 ZINC000814873103 822236647 /nfs/dbraw/zinc/23/66/47/822236647.db2.gz NHZYQVLVIHPREY-GFCCVEGCSA-N 1 2 295.408 1.576 20 30 CDEDLO C[C@@H]1C(=NNS(C)(=O)=O)CCC[N@@H+]1Cc1ccccc1 ZINC000814873103 822236663 /nfs/dbraw/zinc/23/66/63/822236663.db2.gz NHZYQVLVIHPREY-GFCCVEGCSA-N 1 2 295.408 1.576 20 30 CDEDLO C[C@H]1C[NH+]=C(NN=Cc2c(O)ccc(Cl)c2F)N1 ZINC000790172887 822257118 /nfs/dbraw/zinc/25/71/18/822257118.db2.gz ACTYDBBZKVHAHZ-LURJTMIESA-N 1 2 270.695 1.456 20 30 CDEDLO COC(=O)CCCO[NH+]=C(N)c1ccc(F)cc1 ZINC000844762916 822257305 /nfs/dbraw/zinc/25/73/05/822257305.db2.gz PNRPJSQRAIFODT-UHFFFAOYSA-N 1 2 254.261 1.416 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(F)s2)C1 ZINC001016383978 822288142 /nfs/dbraw/zinc/28/81/42/822288142.db2.gz LXECGOQCPZPTFQ-VIFPVBQESA-N 1 2 252.314 1.325 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(F)s2)C1 ZINC001016383978 822288160 /nfs/dbraw/zinc/28/81/60/822288160.db2.gz LXECGOQCPZPTFQ-VIFPVBQESA-N 1 2 252.314 1.325 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]cc2C)C1 ZINC001016252873 822315688 /nfs/dbraw/zinc/31/56/88/822315688.db2.gz VZGZJIDHJKCTRF-LLVKDONJSA-N 1 2 267.760 1.880 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]cc2C)C1 ZINC001016252873 822315702 /nfs/dbraw/zinc/31/57/02/822315702.db2.gz VZGZJIDHJKCTRF-LLVKDONJSA-N 1 2 267.760 1.880 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC001016390522 822350711 /nfs/dbraw/zinc/35/07/11/822350711.db2.gz ZEBABRQCYTYWTI-SNVBAGLBSA-N 1 2 266.341 1.715 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC001016390522 822350722 /nfs/dbraw/zinc/35/07/22/822350722.db2.gz ZEBABRQCYTYWTI-SNVBAGLBSA-N 1 2 266.341 1.715 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(OC(C)C)cc2)C1 ZINC001031350087 822361653 /nfs/dbraw/zinc/36/16/53/822361653.db2.gz ZTJAMQKIXJKHOO-UHFFFAOYSA-N 1 2 286.375 1.911 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1OCC ZINC001032760734 822363577 /nfs/dbraw/zinc/36/35/77/822363577.db2.gz OSGZKGKWOXPOPY-KBPBESRZSA-N 1 2 284.359 1.617 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1OCC ZINC001032760734 822363583 /nfs/dbraw/zinc/36/35/83/822363583.db2.gz OSGZKGKWOXPOPY-KBPBESRZSA-N 1 2 284.359 1.617 20 30 CDEDLO O=C(C#CC1CC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000837494234 822370539 /nfs/dbraw/zinc/37/05/39/822370539.db2.gz UNLMQZGSWQLFII-ZDUSSCGKSA-N 1 2 255.321 1.190 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCCOCC(F)(F)F)cc1 ZINC000181585249 822406105 /nfs/dbraw/zinc/40/61/05/822406105.db2.gz GDHFBNLBSUQBQR-UHFFFAOYSA-N 1 2 292.257 1.911 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001030774415 822465757 /nfs/dbraw/zinc/46/57/57/822465757.db2.gz JHJUGYJLLPWKJG-UHFFFAOYSA-N 1 2 299.378 1.336 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC000829974314 822472167 /nfs/dbraw/zinc/47/21/67/822472167.db2.gz CQPMYKCZYVVNJE-LBPRGKRZSA-N 1 2 251.717 1.585 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000829974314 822472175 /nfs/dbraw/zinc/47/21/75/822472175.db2.gz CQPMYKCZYVVNJE-LBPRGKRZSA-N 1 2 251.717 1.585 20 30 CDEDLO C#C[C@H]([NH2+][C@@H](C)C(=O)c1c[nH]c2ncccc12)[C@H]1CCCO1 ZINC000775793771 822482626 /nfs/dbraw/zinc/48/26/26/822482626.db2.gz NWDRBHWMLGXXKJ-TUKIKUTGSA-N 1 2 297.358 1.905 20 30 CDEDLO CN1C(=O)C2(CCOCC2)[NH2+]C12CCC(C)(C#N)CC2 ZINC000887334616 822496993 /nfs/dbraw/zinc/49/69/93/822496993.db2.gz UFBQIJXKKOVRPZ-UHFFFAOYSA-N 1 2 277.368 1.397 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cc(F)cc1C ZINC001032556902 822554165 /nfs/dbraw/zinc/55/41/65/822554165.db2.gz BQKFAMGAIRGOQQ-GJZGRUSLSA-N 1 2 286.350 1.974 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cc(F)cc1C ZINC001032556902 822554174 /nfs/dbraw/zinc/55/41/74/822554174.db2.gz BQKFAMGAIRGOQQ-GJZGRUSLSA-N 1 2 286.350 1.974 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc(C2CC2)n1 ZINC001038760493 822595142 /nfs/dbraw/zinc/59/51/42/822595142.db2.gz OAGJONPSJFTYEE-CYBMUJFWSA-N 1 2 284.363 1.181 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(C2CC2)n1 ZINC001038760493 822595161 /nfs/dbraw/zinc/59/51/61/822595161.db2.gz OAGJONPSJFTYEE-CYBMUJFWSA-N 1 2 284.363 1.181 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)C)CO2 ZINC001053740880 822607586 /nfs/dbraw/zinc/60/75/86/822607586.db2.gz VRHAUNYEGJOAGS-GFCCVEGCSA-N 1 2 252.358 1.178 20 30 CDEDLO Cc1nnc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H](C)C#N)o1 ZINC000959926882 822636592 /nfs/dbraw/zinc/63/65/92/822636592.db2.gz XMUQHVDSBYFWNH-PWSUYJOCSA-N 1 2 291.355 1.008 20 30 CDEDLO C=CCCOCC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001095046834 912274896 /nfs/dbraw/zinc/27/48/96/912274896.db2.gz KXKZKYPLNFTJBW-CYBMUJFWSA-N 1 2 290.367 1.391 20 30 CDEDLO CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CC(C)(C#N)C2)C1 ZINC001173637720 912681940 /nfs/dbraw/zinc/68/19/40/912681940.db2.gz AAFHWUOLPORIIP-NEPJUHHUSA-N 1 2 250.342 1.954 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC)SC ZINC001233733819 913009625 /nfs/dbraw/zinc/00/96/25/913009625.db2.gz WGEHTSNEYLKOMD-STQMWFEESA-N 1 2 268.426 1.684 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC)SC ZINC001233733819 913009639 /nfs/dbraw/zinc/00/96/39/913009639.db2.gz WGEHTSNEYLKOMD-STQMWFEESA-N 1 2 268.426 1.684 20 30 CDEDLO C#Cc1cc(Nc2ccc(N3CCOCC3)nc2)cc[nH+]1 ZINC001174973390 913399473 /nfs/dbraw/zinc/39/94/73/913399473.db2.gz VWIKKTSIYWZUKX-UHFFFAOYSA-N 1 2 280.331 1.460 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cn2ncc3ccccc32)C1 ZINC001031115888 913646525 /nfs/dbraw/zinc/64/65/25/913646525.db2.gz SRXSJZXDPMQMGH-UHFFFAOYSA-N 1 2 284.363 1.413 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cn[nH]c2)[C@H]1C ZINC000993074243 913729258 /nfs/dbraw/zinc/72/92/58/913729258.db2.gz WPLKLJAVOLXPIG-ZYHUDNBSSA-N 1 2 282.775 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn[nH]c2)[C@H]1C ZINC000993074243 913729272 /nfs/dbraw/zinc/72/92/72/913729272.db2.gz WPLKLJAVOLXPIG-ZYHUDNBSSA-N 1 2 282.775 1.745 20 30 CDEDLO Cc1nc(NCC[C@@H](C)NC(=O)C#CC(C)C)cc[nH+]1 ZINC001106299000 913827532 /nfs/dbraw/zinc/82/75/32/913827532.db2.gz FYRHOSPMBOGSPK-GFCCVEGCSA-N 1 2 274.368 1.751 20 30 CDEDLO C=CCN(CC[N@H+]1C[C@@H](OC)[C@@H](F)C1)C(=O)OCC ZINC001209016869 894414837 /nfs/dbraw/zinc/41/48/37/894414837.db2.gz GQFOXQCBMLXUOX-NWDGAFQWSA-N 1 2 274.336 1.300 20 30 CDEDLO C=CCN(CC[N@@H+]1C[C@@H](OC)[C@@H](F)C1)C(=O)OCC ZINC001209016869 894414841 /nfs/dbraw/zinc/41/48/41/894414841.db2.gz GQFOXQCBMLXUOX-NWDGAFQWSA-N 1 2 274.336 1.300 20 30 CDEDLO Cc1cnc([C@@H](C)[NH2+]CCNC(=O)c2cc(C#N)c[nH]2)o1 ZINC001125390980 895236860 /nfs/dbraw/zinc/23/68/60/895236860.db2.gz MECXZNRWVUXOMY-SNVBAGLBSA-N 1 2 287.323 1.263 20 30 CDEDLO C[C@@H](CCNC(=O)Cn1cc[nH+]c1)Nc1ccc(C#N)cn1 ZINC001099261890 914253555 /nfs/dbraw/zinc/25/35/55/914253555.db2.gz MNXWXZKJXGRWRT-LBPRGKRZSA-N 1 2 298.350 1.157 20 30 CDEDLO Cc1noc(NC(=O)c2cnc([C@@H](C)[NH3+])s2)c1C#N ZINC001218502727 898978713 /nfs/dbraw/zinc/97/87/13/898978713.db2.gz HQDYXJVOMGQHIV-RXMQYKEDSA-N 1 2 277.309 1.583 20 30 CDEDLO COCOc1ccc(OC)cc1C[NH2+]C[C@H](C)C#N ZINC000183823764 899665815 /nfs/dbraw/zinc/66/58/15/899665815.db2.gz DUOIVHAXGQYSAO-LLVKDONJSA-N 1 2 264.325 1.927 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCSC)C[C@H]21 ZINC001176906255 914385447 /nfs/dbraw/zinc/38/54/47/914385447.db2.gz GWSMWIMMDCPKJP-KGLIPLIRSA-N 1 2 298.452 1.617 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCSC)C[C@H]21 ZINC001176906255 914385467 /nfs/dbraw/zinc/38/54/67/914385467.db2.gz GWSMWIMMDCPKJP-KGLIPLIRSA-N 1 2 298.452 1.617 20 30 CDEDLO C#CCCCC(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001126338870 901760526 /nfs/dbraw/zinc/76/05/26/901760526.db2.gz LHXAWQANNIDVHA-SNVBAGLBSA-N 1 2 266.370 1.108 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncs1 ZINC001110401704 921179405 /nfs/dbraw/zinc/17/94/05/921179405.db2.gz MGZWKBYKALVVMX-WFFHOREQSA-N 1 2 290.392 1.524 20 30 CDEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncs1 ZINC001110401704 921179413 /nfs/dbraw/zinc/17/94/13/921179413.db2.gz MGZWKBYKALVVMX-WFFHOREQSA-N 1 2 290.392 1.524 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)C2CC2)[C@H](O)C1 ZINC001089995201 921300791 /nfs/dbraw/zinc/30/07/91/921300791.db2.gz ZUVNIBWEKLUTDK-HZPDHXFCSA-N 1 2 299.374 1.020 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)C2CC2)[C@H](O)C1 ZINC001089995201 921300794 /nfs/dbraw/zinc/30/07/94/921300794.db2.gz ZUVNIBWEKLUTDK-HZPDHXFCSA-N 1 2 299.374 1.020 20 30 CDEDLO N#Cc1nc(F)ccc1OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000842050941 908888995 /nfs/dbraw/zinc/88/89/95/908888995.db2.gz BBMMYFYPNYKCHP-PHIMTYICSA-N 1 2 277.299 1.334 20 30 CDEDLO N#Cc1nc(F)ccc1OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000842050941 908889012 /nfs/dbraw/zinc/88/90/12/908889012.db2.gz BBMMYFYPNYKCHP-PHIMTYICSA-N 1 2 277.299 1.334 20 30 CDEDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)C1(c2ccccc2C#N)CC1 ZINC001272211389 909125079 /nfs/dbraw/zinc/12/50/79/909125079.db2.gz WNWRVEWXTWUUAH-OKILXGFUSA-N 1 2 281.359 1.505 20 30 CDEDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)C1(c2ccccc2C#N)CC1 ZINC001272211389 909125084 /nfs/dbraw/zinc/12/50/84/909125084.db2.gz WNWRVEWXTWUUAH-OKILXGFUSA-N 1 2 281.359 1.505 20 30 CDEDLO Cc1nc(NC[C@H]2CCC[C@H]2NC(=O)C#CC2CC2)cc[nH+]1 ZINC001105659419 909225654 /nfs/dbraw/zinc/22/56/54/909225654.db2.gz SHZBVFHWVNMBSJ-HUUCEWRRSA-N 1 2 298.390 1.895 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccco3)CC2)C1 ZINC001093498733 909837173 /nfs/dbraw/zinc/83/71/73/909837173.db2.gz CFYAJWRBBPEHNU-UHFFFAOYSA-N 1 2 290.363 1.771 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093514749 909891002 /nfs/dbraw/zinc/89/10/02/909891002.db2.gz WTTBSZYOUWXOGB-LLVKDONJSA-N 1 2 278.356 1.294 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc3c2cccc3C)C1 ZINC001077139953 910192412 /nfs/dbraw/zinc/19/24/12/910192412.db2.gz PWXJWUKFIMJLDD-HUUCEWRRSA-N 1 2 298.342 1.149 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2coc3c2cccc3C)C1 ZINC001077139953 910192429 /nfs/dbraw/zinc/19/24/29/910192429.db2.gz PWXJWUKFIMJLDD-HUUCEWRRSA-N 1 2 298.342 1.149 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCCNc1cc[nH+]c(C)n1)OCC ZINC001093909012 910198095 /nfs/dbraw/zinc/19/80/95/910198095.db2.gz DZGWXVBSJAQOCI-ZDUSSCGKSA-N 1 2 292.383 1.684 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001077342935 910276098 /nfs/dbraw/zinc/27/60/98/910276098.db2.gz DOULJZDJUNYBMI-ZIAGYGMSSA-N 1 2 290.363 1.003 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001077342935 910276113 /nfs/dbraw/zinc/27/61/13/910276113.db2.gz DOULJZDJUNYBMI-ZIAGYGMSSA-N 1 2 290.363 1.003 20 30 CDEDLO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000783294429 911616846 /nfs/dbraw/zinc/61/68/46/911616846.db2.gz QHSAFPGXWVVXIE-NSHDSACASA-N 1 2 253.309 1.903 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cnn3c2CCCC3)C1 ZINC001030472338 911896785 /nfs/dbraw/zinc/89/67/85/911896785.db2.gz OSJMUKIYJDCGRC-UHFFFAOYSA-N 1 2 288.395 1.138 20 30 CDEDLO CC#CCN1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001030527432 911977667 /nfs/dbraw/zinc/97/76/67/911977667.db2.gz JLWNKWDRTYEVTR-UHFFFAOYSA-N 1 2 268.320 1.000 20 30 CDEDLO N#Cc1cc(NC(=O)CCc2[nH]cc[nH+]2)ccc1O ZINC001177997475 915083778 /nfs/dbraw/zinc/08/37/78/915083778.db2.gz CLNDWVAYKQEELC-UHFFFAOYSA-N 1 2 256.265 1.558 20 30 CDEDLO C#CCCC1(CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)N=N1 ZINC001178122429 915230174 /nfs/dbraw/zinc/23/01/74/915230174.db2.gz SYJTYXKHRXHLMR-GFCCVEGCSA-N 1 2 285.351 1.527 20 30 CDEDLO C#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCO1 ZINC000775340333 921806753 /nfs/dbraw/zinc/80/67/53/921806753.db2.gz LUHGUKQAUGGRRD-JKSUJKDBSA-N 1 2 295.342 1.783 20 30 CDEDLO CCCCc1noc([C@H](C)[NH2+]CCNC(=O)[C@H](C)C#N)n1 ZINC001124908625 917757983 /nfs/dbraw/zinc/75/79/83/917757983.db2.gz OHEVHOROEROTAQ-MNOVXSKESA-N 1 2 293.371 1.339 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H](C)Nc2cc[nH+]c(C)n2)cn1 ZINC001097961055 936470490 /nfs/dbraw/zinc/47/04/90/936470490.db2.gz NJNNFYRLKMWWJB-LLVKDONJSA-N 1 2 295.346 1.392 20 30 CDEDLO N#Cc1cccnc1NC/C=C/CNC(=O)Cc1[nH]cc[nH+]1 ZINC001107311462 918329752 /nfs/dbraw/zinc/32/97/52/918329752.db2.gz DZRVGWMIFJEAPH-OWOJBTEDSA-N 1 2 296.334 1.003 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC001138245164 936499700 /nfs/dbraw/zinc/49/97/00/936499700.db2.gz SYLKDFURJSFFDE-UHFFFAOYSA-N 1 2 292.766 1.820 20 30 CDEDLO Cc1c[nH]c(CCNC(=O)[C@H](C#N)Cc2ccc(O)cc2)[nH+]1 ZINC001183615579 918591439 /nfs/dbraw/zinc/59/14/39/918591439.db2.gz FMCIPVCXLDAWLP-ZDUSSCGKSA-N 1 2 298.346 1.465 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)cc1OC ZINC001138342922 936522812 /nfs/dbraw/zinc/52/28/12/936522812.db2.gz DGCHKPAOWPRPCO-KGLIPLIRSA-N 1 2 293.338 1.612 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2C[C@H](F)C[C@H]2CO)cc1OC ZINC001138342922 936522813 /nfs/dbraw/zinc/52/28/13/936522813.db2.gz DGCHKPAOWPRPCO-KGLIPLIRSA-N 1 2 293.338 1.612 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H]2C=CCC2)C1 ZINC001107725306 918690787 /nfs/dbraw/zinc/69/07/87/918690787.db2.gz BAPDYIVCCJKZDJ-GOEBONIOSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H]2C=CCC2)C1 ZINC001107725306 918690800 /nfs/dbraw/zinc/69/08/00/918690800.db2.gz BAPDYIVCCJKZDJ-GOEBONIOSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCOCC)C1 ZINC001107763334 918750753 /nfs/dbraw/zinc/75/07/53/918750753.db2.gz DRCJSUUXHFXMKH-HNNXBMFYSA-N 1 2 284.400 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCOCC)C1 ZINC001107763334 918750766 /nfs/dbraw/zinc/75/07/66/918750766.db2.gz DRCJSUUXHFXMKH-HNNXBMFYSA-N 1 2 284.400 1.196 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CSCCC)C1 ZINC001107775071 918765493 /nfs/dbraw/zinc/76/54/93/918765493.db2.gz ORGDVUSVZXYZKW-OAHLLOKOSA-N 1 2 298.452 1.360 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CSCCC)C1 ZINC001107775071 918765503 /nfs/dbraw/zinc/76/55/03/918765503.db2.gz ORGDVUSVZXYZKW-OAHLLOKOSA-N 1 2 298.452 1.360 20 30 CDEDLO C#CCOc1ccc(C[NH+]2CC(N3CC(F)C3)C2)cc1 ZINC001138555320 936546268 /nfs/dbraw/zinc/54/62/68/936546268.db2.gz WTTPNZQIEYIEHW-UHFFFAOYSA-N 1 2 274.339 1.537 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001032404325 919020525 /nfs/dbraw/zinc/02/05/25/919020525.db2.gz XSZIGUYAHUAQPQ-ILXRZTDVSA-N 1 2 272.392 1.875 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001032404325 919020537 /nfs/dbraw/zinc/02/05/37/919020537.db2.gz XSZIGUYAHUAQPQ-ILXRZTDVSA-N 1 2 272.392 1.875 20 30 CDEDLO N#C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CCCC1 ZINC000921547205 919075559 /nfs/dbraw/zinc/07/55/59/919075559.db2.gz IWIGOSZNDHNGMC-TZMCWYRMSA-N 1 2 272.352 1.644 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC001138653310 936555355 /nfs/dbraw/zinc/55/53/55/936555355.db2.gz YFEICSSQBNFHLD-UHFFFAOYSA-N 1 2 298.365 1.762 20 30 CDEDLO C#CCN1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC001138653310 936555356 /nfs/dbraw/zinc/55/53/56/936555356.db2.gz YFEICSSQBNFHLD-UHFFFAOYSA-N 1 2 298.365 1.762 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)n(C(F)F)n1 ZINC001032425959 919118276 /nfs/dbraw/zinc/11/82/76/919118276.db2.gz RAIAXXVIAYZWRK-QWRGUYRKSA-N 1 2 294.305 1.119 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)n(C(F)F)n1 ZINC001032425959 919118286 /nfs/dbraw/zinc/11/82/86/919118286.db2.gz RAIAXXVIAYZWRK-QWRGUYRKSA-N 1 2 294.305 1.119 20 30 CDEDLO C=CCn1cccc1C(=O)NC[C@@H]1COCC[N@H+]1CC ZINC001050956932 936567671 /nfs/dbraw/zinc/56/76/71/936567671.db2.gz YLQPMVRXKSCJSC-CYBMUJFWSA-N 1 2 277.368 1.125 20 30 CDEDLO C=CCn1cccc1C(=O)NC[C@@H]1COCC[N@@H+]1CC ZINC001050956932 936567673 /nfs/dbraw/zinc/56/76/73/936567673.db2.gz YLQPMVRXKSCJSC-CYBMUJFWSA-N 1 2 277.368 1.125 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001185056963 919383706 /nfs/dbraw/zinc/38/37/06/919383706.db2.gz WWMNPBHWDNBWNR-NWDGAFQWSA-N 1 2 294.424 1.831 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001255177104 936587514 /nfs/dbraw/zinc/58/75/14/936587514.db2.gz MLDNJFUREVWEDJ-RYUDHWBXSA-N 1 2 264.304 1.761 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001255177104 936587515 /nfs/dbraw/zinc/58/75/15/936587515.db2.gz MLDNJFUREVWEDJ-RYUDHWBXSA-N 1 2 264.304 1.761 20 30 CDEDLO N#CCCN1CC[NH+](Cc2ccc3nsnc3c2)CC1 ZINC001139213163 936607771 /nfs/dbraw/zinc/60/77/71/936607771.db2.gz QPSRCIALSQIKLI-UHFFFAOYSA-N 1 2 287.392 1.723 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccsn2)C1 ZINC001108017695 919959360 /nfs/dbraw/zinc/95/93/60/919959360.db2.gz WDQBZNBBYYMNKY-CYBMUJFWSA-N 1 2 281.381 1.150 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccsn2)C1 ZINC001108017695 919959371 /nfs/dbraw/zinc/95/93/71/919959371.db2.gz WDQBZNBBYYMNKY-CYBMUJFWSA-N 1 2 281.381 1.150 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cn(Cc3ccccc3)nn2)CC1 ZINC001139491080 936625018 /nfs/dbraw/zinc/62/50/18/936625018.db2.gz NTDWCPRWFGDTLK-UHFFFAOYSA-N 1 2 295.390 1.077 20 30 CDEDLO C[C@@]1(CO)CC[N@H+](Cc2cccc(Cl)c2C#N)C[C@@H]1O ZINC001139687572 936635953 /nfs/dbraw/zinc/63/59/53/936635953.db2.gz SPJUWVCRVAQNQR-GJZGRUSLSA-N 1 2 294.782 1.777 20 30 CDEDLO C[C@@]1(CO)CC[N@@H+](Cc2cccc(Cl)c2C#N)C[C@@H]1O ZINC001139687572 936635954 /nfs/dbraw/zinc/63/59/54/936635954.db2.gz SPJUWVCRVAQNQR-GJZGRUSLSA-N 1 2 294.782 1.777 20 30 CDEDLO Cc1cccc(N2CC[NH+](Cc3ccc(C#N)nc3)CC2)n1 ZINC001140540598 936722252 /nfs/dbraw/zinc/72/22/52/936722252.db2.gz CWXZTVRQASVVNK-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccnc(OCC)c2Cl)CC1 ZINC001250385454 922084647 /nfs/dbraw/zinc/08/46/47/922084647.db2.gz NNJFWFCMZHRABA-UHFFFAOYSA-N 1 2 293.798 1.885 20 30 CDEDLO N#Cc1cc(C(=O)Nc2cc[nH+]c3c2CCC3)ccn1 ZINC001191539933 922624845 /nfs/dbraw/zinc/62/48/45/922624845.db2.gz IZTUBCFDZNEEOE-UHFFFAOYSA-N 1 2 264.288 1.511 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cn(-c3ccccc3)cn2)CC1 ZINC001191588676 922646684 /nfs/dbraw/zinc/64/66/84/922646684.db2.gz QSJSQTPZLOZTBZ-UHFFFAOYSA-N 1 2 296.374 1.816 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C/C=C(\C)C=C)C1 ZINC001108138394 922726275 /nfs/dbraw/zinc/72/62/75/922726275.db2.gz MNRYBFQJKPPQGO-KAMPRCONSA-N 1 2 278.396 1.902 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C/C=C(\C)C=C)C1 ZINC001108138394 922726285 /nfs/dbraw/zinc/72/62/85/922726285.db2.gz MNRYBFQJKPPQGO-KAMPRCONSA-N 1 2 278.396 1.902 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](F)C(C)C)C1 ZINC001108140539 922737197 /nfs/dbraw/zinc/73/71/97/922737197.db2.gz OQIQGBLDTMSYAL-UKRRQHHQSA-N 1 2 284.375 1.211 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](F)C(C)C)C1 ZINC001108140539 922737209 /nfs/dbraw/zinc/73/72/09/922737209.db2.gz OQIQGBLDTMSYAL-UKRRQHHQSA-N 1 2 284.375 1.211 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001108146183 922768750 /nfs/dbraw/zinc/76/87/50/922768750.db2.gz RDKIBGSIDWMUDG-PBHICJAKSA-N 1 2 292.423 1.653 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001108146183 922768756 /nfs/dbraw/zinc/76/87/56/922768756.db2.gz RDKIBGSIDWMUDG-PBHICJAKSA-N 1 2 292.423 1.653 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001108151795 922798253 /nfs/dbraw/zinc/79/82/53/922798253.db2.gz TZMUVTKHEUSCAX-NHIYQJMISA-N 1 2 278.396 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001108151795 922798266 /nfs/dbraw/zinc/79/82/66/922798266.db2.gz TZMUVTKHEUSCAX-NHIYQJMISA-N 1 2 278.396 1.426 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC(=C)Cl)C[C@H]1O ZINC001099726092 936804528 /nfs/dbraw/zinc/80/45/28/936804528.db2.gz DHQQMJGPTGMZGP-VXGBXAGGSA-N 1 2 272.776 1.257 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](CC(=C)Cl)C[C@H]1O ZINC001099726092 936804531 /nfs/dbraw/zinc/80/45/31/936804531.db2.gz DHQQMJGPTGMZGP-VXGBXAGGSA-N 1 2 272.776 1.257 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1CC[N@@H+](CC(=C)Cl)C[C@H]1O ZINC001099807062 936810715 /nfs/dbraw/zinc/81/07/15/936810715.db2.gz KDLFXXURUTVVJK-CHWSQXEVSA-N 1 2 284.787 1.094 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1CC[N@H+](CC(=C)Cl)C[C@H]1O ZINC001099807062 936810717 /nfs/dbraw/zinc/81/07/17/936810717.db2.gz KDLFXXURUTVVJK-CHWSQXEVSA-N 1 2 284.787 1.094 20 30 CDEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](CC(=C)Cl)C[C@@H]1O ZINC001099807065 936811161 /nfs/dbraw/zinc/81/11/61/936811161.db2.gz KDLFXXURUTVVJK-STQMWFEESA-N 1 2 284.787 1.094 20 30 CDEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](CC(=C)Cl)C[C@@H]1O ZINC001099807065 936811163 /nfs/dbraw/zinc/81/11/63/936811163.db2.gz KDLFXXURUTVVJK-STQMWFEESA-N 1 2 284.787 1.094 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)/C=C(\C)CC)[C@@H](O)C1 ZINC001099817931 936811877 /nfs/dbraw/zinc/81/18/77/936811877.db2.gz HLYXGFSHSHXDCJ-ZCUOCTDKSA-N 1 2 286.803 1.647 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)/C=C(\C)CC)[C@@H](O)C1 ZINC001099817931 936811879 /nfs/dbraw/zinc/81/18/79/936811879.db2.gz HLYXGFSHSHXDCJ-ZCUOCTDKSA-N 1 2 286.803 1.647 20 30 CDEDLO Cc1nc(N(C)C[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001062096533 923284543 /nfs/dbraw/zinc/28/45/43/923284543.db2.gz OOPCOEPZPTXTHN-AAEUAGOBSA-N 1 2 287.367 1.229 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1CC[N@@H+](CC(=C)Cl)C[C@@H]1O ZINC001099975402 936827379 /nfs/dbraw/zinc/82/73/79/936827379.db2.gz BEGARHVHTOFESD-OLZOCXBDSA-N 1 2 286.803 1.647 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1CC[N@H+](CC(=C)Cl)C[C@@H]1O ZINC001099975402 936827382 /nfs/dbraw/zinc/82/73/82/936827382.db2.gz BEGARHVHTOFESD-OLZOCXBDSA-N 1 2 286.803 1.647 20 30 CDEDLO C[C@@H](C#N)S(=O)(=O)Nc1ccccc1-n1cc[nH+]c1 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PSIMUPQRBPUWIA-UHFFFAOYSA-N 1 2 293.411 1.156 20 30 CDEDLO COCC#CC[N@@H+]1CCCN(C(=O)C2(F)CCCC2)CC1 ZINC001196374455 924885006 /nfs/dbraw/zinc/88/50/06/924885006.db2.gz FDLISPSXTACDQK-UHFFFAOYSA-N 1 2 296.386 1.453 20 30 CDEDLO COCC#CC[N@H+]1CCCN(C(=O)C2(F)CCCC2)CC1 ZINC001196374455 924885013 /nfs/dbraw/zinc/88/50/13/924885013.db2.gz FDLISPSXTACDQK-UHFFFAOYSA-N 1 2 296.386 1.453 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2coc3ccccc32)[C@H](OC)C1 ZINC001082396066 924913525 /nfs/dbraw/zinc/91/35/25/924913525.db2.gz GPKBGZGACVDSFS-GDBMZVCRSA-N 1 2 298.342 1.495 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2coc3ccccc32)[C@H](OC)C1 ZINC001082396066 924913530 /nfs/dbraw/zinc/91/35/30/924913530.db2.gz GPKBGZGACVDSFS-GDBMZVCRSA-N 1 2 298.342 1.495 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3snnc3C)[C@@H]2C1 ZINC001084180659 925173487 /nfs/dbraw/zinc/17/34/87/925173487.db2.gz JYSKJIPQJSJYII-GHMZBOCLSA-N 1 2 278.381 1.179 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3snnc3C)[C@@H]2C1 ZINC001084180659 925173490 /nfs/dbraw/zinc/17/34/90/925173490.db2.gz JYSKJIPQJSJYII-GHMZBOCLSA-N 1 2 278.381 1.179 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001197583194 925178946 /nfs/dbraw/zinc/17/89/46/925178946.db2.gz NSXQDQWELAUAFK-ARFHVFGLSA-N 1 2 294.439 1.633 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001197583194 925178950 /nfs/dbraw/zinc/17/89/50/925178950.db2.gz NSXQDQWELAUAFK-ARFHVFGLSA-N 1 2 294.439 1.633 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC3(O)CCC3)[C@@H]2C1 ZINC001084331630 925232196 /nfs/dbraw/zinc/23/21/96/925232196.db2.gz ARBUGTIOTPXRMT-CHWSQXEVSA-N 1 2 298.814 1.577 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC3(O)CCC3)[C@@H]2C1 ZINC001084331630 925232199 /nfs/dbraw/zinc/23/21/99/925232199.db2.gz ARBUGTIOTPXRMT-CHWSQXEVSA-N 1 2 298.814 1.577 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001110500648 925307847 /nfs/dbraw/zinc/30/78/47/925307847.db2.gz IKYUOEAJDYCMLC-GUIRCDHDSA-N 1 2 298.814 1.788 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001110500648 925307855 /nfs/dbraw/zinc/30/78/55/925307855.db2.gz IKYUOEAJDYCMLC-GUIRCDHDSA-N 1 2 298.814 1.788 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1C[N@@H+](Cc2nncs2)C[C@H]1C ZINC001101806373 937015034 /nfs/dbraw/zinc/01/50/34/937015034.db2.gz OAXLEIZTENMPLX-VXGBXAGGSA-N 1 2 294.424 1.688 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1C[N@H+](Cc2nncs2)C[C@H]1C ZINC001101806373 937015035 /nfs/dbraw/zinc/01/50/35/937015035.db2.gz OAXLEIZTENMPLX-VXGBXAGGSA-N 1 2 294.424 1.688 20 30 CDEDLO CCn1nc(C)c(CO[NH+]=C(N)c2ccc(F)c(C)c2)n1 ZINC000842021626 937028558 /nfs/dbraw/zinc/02/85/58/937028558.db2.gz CDRWMOJCCOKKJU-UHFFFAOYSA-N 1 2 291.330 1.891 20 30 CDEDLO CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001085445616 925973183 /nfs/dbraw/zinc/97/31/83/925973183.db2.gz LAVUACLSLIPMDR-CQSZACIVSA-N 1 2 275.327 1.750 20 30 CDEDLO CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001085445616 925973187 /nfs/dbraw/zinc/97/31/87/925973187.db2.gz LAVUACLSLIPMDR-CQSZACIVSA-N 1 2 275.327 1.750 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc2n[nH]nc21 ZINC001085614223 926211534 /nfs/dbraw/zinc/21/15/34/926211534.db2.gz IYOMLDNOIDCQEG-LBPRGKRZSA-N 1 2 297.362 1.128 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc2n[nH]nc21 ZINC001085614223 926211546 /nfs/dbraw/zinc/21/15/46/926211546.db2.gz IYOMLDNOIDCQEG-LBPRGKRZSA-N 1 2 297.362 1.128 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)noc1C(C)C ZINC001085652702 926249565 /nfs/dbraw/zinc/24/95/65/926249565.db2.gz DLZRGVKZDVTEIG-ZDUSSCGKSA-N 1 2 289.379 1.886 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)noc1C(C)C ZINC001085652702 926249568 /nfs/dbraw/zinc/24/95/68/926249568.db2.gz DLZRGVKZDVTEIG-ZDUSSCGKSA-N 1 2 289.379 1.886 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(COC)o1 ZINC001085711434 926317833 /nfs/dbraw/zinc/31/78/33/926317833.db2.gz IJWZPZXCAHXZFH-LBPRGKRZSA-N 1 2 276.336 1.206 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(COC)o1 ZINC001085711434 926317842 /nfs/dbraw/zinc/31/78/42/926317842.db2.gz IJWZPZXCAHXZFH-LBPRGKRZSA-N 1 2 276.336 1.206 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(F)F)n(C)n1 ZINC001085724030 926335538 /nfs/dbraw/zinc/33/55/38/926335538.db2.gz LORAEMAQRDNIJQ-SNVBAGLBSA-N 1 2 296.321 1.137 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(F)F)n(C)n1 ZINC001085724030 926335549 /nfs/dbraw/zinc/33/55/49/926335549.db2.gz LORAEMAQRDNIJQ-SNVBAGLBSA-N 1 2 296.321 1.137 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(C2CC2)nc1 ZINC001085857813 926455418 /nfs/dbraw/zinc/45/54/18/926455418.db2.gz IDUZFBZZOUSJHK-CQSZACIVSA-N 1 2 284.363 1.134 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(C2CC2)nc1 ZINC001085857813 926455426 /nfs/dbraw/zinc/45/54/26/926455426.db2.gz IDUZFBZZOUSJHK-CQSZACIVSA-N 1 2 284.363 1.134 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)nc(C)n1 ZINC001085871980 926465513 /nfs/dbraw/zinc/46/55/13/926465513.db2.gz LHNYXWKPESMODH-AWEZNQCLSA-N 1 2 286.379 1.263 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)nc(C)n1 ZINC001085871980 926465516 /nfs/dbraw/zinc/46/55/16/926465516.db2.gz LHNYXWKPESMODH-AWEZNQCLSA-N 1 2 286.379 1.263 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(-c2ccoc2)n[nH]1 ZINC001085970315 926556070 /nfs/dbraw/zinc/55/60/70/926556070.db2.gz XDGPCDZAKCKYHR-ZDUSSCGKSA-N 1 2 298.346 1.449 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(-c2ccoc2)n[nH]1 ZINC001085970315 926556076 /nfs/dbraw/zinc/55/60/76/926556076.db2.gz XDGPCDZAKCKYHR-ZDUSSCGKSA-N 1 2 298.346 1.449 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnoc2CC)C1 ZINC001108252555 926820680 /nfs/dbraw/zinc/82/06/80/926820680.db2.gz XDROAZUHLXJHHU-HNNXBMFYSA-N 1 2 293.367 1.244 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cnoc2CC)C1 ZINC001108252555 926820687 /nfs/dbraw/zinc/82/06/87/926820687.db2.gz XDROAZUHLXJHHU-HNNXBMFYSA-N 1 2 293.367 1.244 20 30 CDEDLO C#CCCN1CC[NH+]([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC1 ZINC000851873102 927651460 /nfs/dbraw/zinc/65/14/60/927651460.db2.gz QDELEMHBNVYCBU-ARFHVFGLSA-N 1 2 289.423 1.075 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1c1ccc(OC)c(F)c1 ZINC000852521541 927807240 /nfs/dbraw/zinc/80/72/40/927807240.db2.gz PXIZSNSDHALRKW-AWEZNQCLSA-N 1 2 290.338 1.721 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(OC)c(F)c1 ZINC000852521541 927807248 /nfs/dbraw/zinc/80/72/48/927807248.db2.gz PXIZSNSDHALRKW-AWEZNQCLSA-N 1 2 290.338 1.721 20 30 CDEDLO N#Cc1c(F)ccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1N ZINC001149989274 937213017 /nfs/dbraw/zinc/21/30/17/937213017.db2.gz BUVVGOJRTYXLRB-SECBINFHSA-N 1 2 299.309 1.677 20 30 CDEDLO C=CC[C@@H](Nc1c[nH+]c2c(c1)CCCN2)C(=O)OC ZINC001169844699 928465805 /nfs/dbraw/zinc/46/58/05/928465805.db2.gz MPDOJTOGOHMWOZ-GFCCVEGCSA-N 1 2 261.325 1.257 20 30 CDEDLO CN(CCCNc1ncccc1C#N)C(=O)Cc1c[nH+]c[nH]1 ZINC001109633896 928992649 /nfs/dbraw/zinc/99/26/49/928992649.db2.gz UYEIHUYJUPMYQT-UHFFFAOYSA-N 1 2 298.350 1.179 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](CC)CC(F)F)CC1 ZINC001112955104 929594293 /nfs/dbraw/zinc/59/42/93/929594293.db2.gz PDCHMTHZVGJYGF-LLVKDONJSA-N 1 2 260.328 1.998 20 30 CDEDLO C#CC[NH2+]C1(CNC(=O)C(F)C(F)(F)F)CCCCC1 ZINC001115546610 937392583 /nfs/dbraw/zinc/39/25/83/937392583.db2.gz VPLHWTSVXOQMOE-SNVBAGLBSA-N 1 2 294.292 1.929 20 30 CDEDLO C#CC[NH2+]C1(CNC(=O)[C@@H](F)C(F)(F)F)CCCCC1 ZINC001115546610 937392585 /nfs/dbraw/zinc/39/25/85/937392585.db2.gz VPLHWTSVXOQMOE-SNVBAGLBSA-N 1 2 294.292 1.929 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC(C)(C)CC(C)(C)C ZINC000884047098 930410898 /nfs/dbraw/zinc/41/08/98/930410898.db2.gz FOVKPIHRGYUHAE-NSHDSACASA-N 1 2 284.400 1.764 20 30 CDEDLO C=CC[N@@H+](CC)[C@H](C)CNC(=O)c1cncc2nc[nH]c21 ZINC001153472497 937447538 /nfs/dbraw/zinc/44/75/38/937447538.db2.gz VOVKYHPQTCQYAG-LLVKDONJSA-N 1 2 287.367 1.584 20 30 CDEDLO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cncc2nc[nH]c21 ZINC001153472497 937447539 /nfs/dbraw/zinc/44/75/39/937447539.db2.gz VOVKYHPQTCQYAG-LLVKDONJSA-N 1 2 287.367 1.584 20 30 CDEDLO C=CCCCS(=O)(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000886468545 930886494 /nfs/dbraw/zinc/88/64/94/930886494.db2.gz FXBZMOLMERICTQ-GFCCVEGCSA-N 1 2 260.403 1.308 20 30 CDEDLO C=CCCCS(=O)(=O)N1CC[N@H+](C)C[C@H]1CC ZINC000886468545 930886501 /nfs/dbraw/zinc/88/65/01/930886501.db2.gz FXBZMOLMERICTQ-GFCCVEGCSA-N 1 2 260.403 1.308 20 30 CDEDLO C=CCC1(O)CC[NH+](Cc2cn(CC3CC3)nn2)CC1 ZINC000886778470 930956125 /nfs/dbraw/zinc/95/61/25/930956125.db2.gz CBBBZOOBXGERKP-UHFFFAOYSA-N 1 2 276.384 1.591 20 30 CDEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](CCC#N)CC2 ZINC001274030921 931130135 /nfs/dbraw/zinc/13/01/35/931130135.db2.gz BTFVCJRHTBZCPD-CYBMUJFWSA-N 1 2 274.368 1.422 20 30 CDEDLO Cc1nc(N[C@@H]2C(=O)N(O)C[C@@H]2C)cc(C(C)C)[nH+]1 ZINC001160173778 931250184 /nfs/dbraw/zinc/25/01/84/931250184.db2.gz VAMQQULHLFCNGX-UFBFGSQYSA-N 1 2 264.329 1.556 20 30 CDEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1nc(C)co1 ZINC001274372115 931495625 /nfs/dbraw/zinc/49/56/25/931495625.db2.gz JULKPLHPXLNPLS-INIZCTEOSA-N 1 2 287.363 1.573 20 30 CDEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1nc(C)co1 ZINC001274372115 931495626 /nfs/dbraw/zinc/49/56/26/931495626.db2.gz JULKPLHPXLNPLS-INIZCTEOSA-N 1 2 287.363 1.573 20 30 CDEDLO C[N@@H+]1CCc2nc(C(=O)NCC(C)(C)S)sc2C1 ZINC001154222835 937519185 /nfs/dbraw/zinc/51/91/85/937519185.db2.gz MXLZKYVTCWLWBS-UHFFFAOYSA-N 1 2 285.438 1.569 20 30 CDEDLO C[N@H+]1CCc2nc(C(=O)NCC(C)(C)S)sc2C1 ZINC001154222835 937519186 /nfs/dbraw/zinc/51/91/86/937519186.db2.gz MXLZKYVTCWLWBS-UHFFFAOYSA-N 1 2 285.438 1.569 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccon1 ZINC001275514318 931846716 /nfs/dbraw/zinc/84/67/16/931846716.db2.gz WXGSHJJEEVHWNY-SECBINFHSA-N 1 2 257.721 1.477 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccon1 ZINC001275514318 931846724 /nfs/dbraw/zinc/84/67/24/931846724.db2.gz WXGSHJJEEVHWNY-SECBINFHSA-N 1 2 257.721 1.477 20 30 CDEDLO N#Cc1ccnnc1NC(=O)c1cccc2[nH+]ccn21 ZINC001154520453 937552317 /nfs/dbraw/zinc/55/23/17/937552317.db2.gz QPIOLMPEPIZYTR-UHFFFAOYSA-N 1 2 264.248 1.248 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](O)c2ccc(OC)cc2)CC1 ZINC001144774318 932011798 /nfs/dbraw/zinc/01/17/98/932011798.db2.gz HTAVBJYDYDWRLP-HNNXBMFYSA-N 1 2 290.363 1.059 20 30 CDEDLO C[NH+](C)CCONC(=O)C1(c2cccc(C#N)c2)CC1 ZINC001118763293 937663984 /nfs/dbraw/zinc/66/39/84/937663984.db2.gz DEFCQTWCBGTVMO-UHFFFAOYSA-N 1 2 273.336 1.199 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC001015887500 935592560 /nfs/dbraw/zinc/59/25/60/935592560.db2.gz WSDNCLUJNFEASJ-GFCCVEGCSA-N 1 2 284.363 1.943 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC001015887500 935592561 /nfs/dbraw/zinc/59/25/61/935592561.db2.gz WSDNCLUJNFEASJ-GFCCVEGCSA-N 1 2 284.363 1.943 20 30 CDEDLO C=CC[N@H+]1CC[C@@H](NC(=O)c2cccc3nc(C)[nH]c32)C1 ZINC001015947711 935595800 /nfs/dbraw/zinc/59/58/00/935595800.db2.gz NLWKJTPTNGVOCX-GFCCVEGCSA-N 1 2 284.363 1.861 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc3nc(C)[nH]c32)C1 ZINC001015947711 935595803 /nfs/dbraw/zinc/59/58/03/935595803.db2.gz NLWKJTPTNGVOCX-GFCCVEGCSA-N 1 2 284.363 1.861 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccnc1 ZINC001039531601 935778292 /nfs/dbraw/zinc/77/82/92/935778292.db2.gz ROPWIFFYJNLVCO-CWRNSKLLSA-N 1 2 298.390 1.807 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccnc1 ZINC001039531601 935778295 /nfs/dbraw/zinc/77/82/95/935778295.db2.gz ROPWIFFYJNLVCO-CWRNSKLLSA-N 1 2 298.390 1.807 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001044037419 935849116 /nfs/dbraw/zinc/84/91/16/935849116.db2.gz HPZGLGFJRPELKS-GJZGRUSLSA-N 1 2 278.396 1.686 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnc(C3CC3)nc2)C1 ZINC001044012201 935849258 /nfs/dbraw/zinc/84/92/58/935849258.db2.gz KMZLGQJEGICFCX-UHFFFAOYSA-N 1 2 284.363 1.134 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000800365728 935899955 /nfs/dbraw/zinc/89/99/55/935899955.db2.gz NAPBKCLOEVGECQ-MCIONIFRSA-N 1 2 293.367 1.036 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000800365728 935899959 /nfs/dbraw/zinc/89/99/59/935899959.db2.gz NAPBKCLOEVGECQ-MCIONIFRSA-N 1 2 293.367 1.036 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2scnc2C)CC[C@@H]1C ZINC001071349926 935989485 /nfs/dbraw/zinc/98/94/85/935989485.db2.gz NJDMCTJJDHJTPA-CMPLNLGQSA-N 1 2 277.393 1.667 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2scnc2C)CC[C@@H]1C ZINC001071349926 935989489 /nfs/dbraw/zinc/98/94/89/935989489.db2.gz NJDMCTJJDHJTPA-CMPLNLGQSA-N 1 2 277.393 1.667 20 30 CDEDLO C=CCOCC(=O)N[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001096156597 935989517 /nfs/dbraw/zinc/98/95/17/935989517.db2.gz VNORFBHYDIMHHN-CYBMUJFWSA-N 1 2 290.367 1.073 20 30 CDEDLO Cc1nc(N2CC[C@@H](NC(=O)[C@@H](C)C#N)C2)c(C)c(C)[nH+]1 ZINC001096339357 936047158 /nfs/dbraw/zinc/04/71/58/936047158.db2.gz QZLKKTYVZCTWJM-TVQRCGJNSA-N 1 2 287.367 1.256 20 30 CDEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(F)F)C2 ZINC001096729500 936212172 /nfs/dbraw/zinc/21/21/72/936212172.db2.gz QUCVJDSIPLEWOO-MXWKQRLJSA-N 1 2 256.296 1.386 20 30 CDEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(F)F)C2 ZINC001096729500 936212173 /nfs/dbraw/zinc/21/21/73/936212173.db2.gz QUCVJDSIPLEWOO-MXWKQRLJSA-N 1 2 256.296 1.386 20 30 CDEDLO Cc1nc(NC[C@@H]2CC[C@H](NC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001123793033 936223693 /nfs/dbraw/zinc/22/36/93/936223693.db2.gz AJFOLPOKYZQEKU-CABCVRRESA-N 1 2 298.390 1.895 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097174796 936278351 /nfs/dbraw/zinc/27/83/51/936278351.db2.gz SFCATLDDVAWAFF-ZOWXZIJZSA-N 1 2 290.367 1.171 20 30 CDEDLO CCc1nc(C#N)c(C#N)nc1NCc1cc[nH+]c(N)c1 ZINC001156764144 938415961 /nfs/dbraw/zinc/41/59/61/938415961.db2.gz UWNLNNPBZCPLBO-UHFFFAOYSA-N 1 2 279.307 1.372 20 30 CDEDLO C=C(C)C(=O)NCCCNc1cc(N)cc(Cl)[nH+]1 ZINC001156820651 938421540 /nfs/dbraw/zinc/42/15/40/938421540.db2.gz ADTLEHMOMHGWIC-UHFFFAOYSA-N 1 2 268.748 1.812 20 30 CDEDLO N#CCCN(CCC#N)C(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156970376 938440745 /nfs/dbraw/zinc/44/07/45/938440745.db2.gz QVYVWYLLKFMIDW-UHFFFAOYSA-N 1 2 282.307 1.415 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cc(C)c(Cl)cn2)CC1 ZINC001238420897 945175323 /nfs/dbraw/zinc/17/53/23/945175323.db2.gz CMVZSDVZWVFGFA-UHFFFAOYSA-N 1 2 263.772 1.794 20 30 CDEDLO C[Si](C)(C)C#Cc1cccnc1-n1[nH]c(=O)nc1C[NH3+] ZINC001157933716 938565772 /nfs/dbraw/zinc/56/57/72/938565772.db2.gz IJNYLBJFQPKZAC-UHFFFAOYSA-N 1 2 287.399 1.056 20 30 CDEDLO N#Cc1ccnc(N[C@H]2CCC[C@@H]2[NH+]2CCOCC2)c1F ZINC001160721771 938818708 /nfs/dbraw/zinc/81/87/08/938818708.db2.gz CFASQLXCLQLSFA-STQMWFEESA-N 1 2 290.342 1.758 20 30 CDEDLO COc1ccnc(NC2CN(c3cccc[nH+]3)C2)c1C#N ZINC001161320850 938888866 /nfs/dbraw/zinc/88/88/66/938888866.db2.gz QVCIPMZIPUHLPP-UHFFFAOYSA-N 1 2 281.319 1.658 20 30 CDEDLO Cc1nc(NC[C@H]([NH3+])C(=O)OC(C)(C)C)ccc1CC#N ZINC001162856176 939154673 /nfs/dbraw/zinc/15/46/73/939154673.db2.gz YUGPLYPCGNQFBX-LBPRGKRZSA-N 1 2 290.367 1.537 20 30 CDEDLO N#CCc1ccc[nH+]c1NC[C@H](O)COc1ccccc1 ZINC001163804887 939335361 /nfs/dbraw/zinc/33/53/61/939335361.db2.gz JOTGDXMMGAHEGN-AWEZNQCLSA-N 1 2 283.331 1.999 20 30 CDEDLO N#Cc1c[nH]c2cc[nH+]c(N3C[C@H](F)C[C@@H](CO)C3)c12 ZINC001164041599 939394393 /nfs/dbraw/zinc/39/43/93/939394393.db2.gz BTCGIVIIYIBTKM-MWLCHTKSSA-N 1 2 274.299 1.591 20 30 CDEDLO N#Cc1c2c(cnc1N1CC[NH2+]CC(F)(F)C1)CCCC2 ZINC001164502039 939480031 /nfs/dbraw/zinc/48/00/31/939480031.db2.gz CURMWRMADJRQMB-UHFFFAOYSA-N 1 2 292.333 1.877 20 30 CDEDLO C=CC[NH2+]CC1(CCNC(=O)C(F)C(F)(F)F)CC1 ZINC001164597164 939497195 /nfs/dbraw/zinc/49/71/95/939497195.db2.gz XPBIDJCQZLRUHE-VIFPVBQESA-N 1 2 282.281 1.949 20 30 CDEDLO C=CC[NH2+]CC1(CCNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001164597164 939497196 /nfs/dbraw/zinc/49/71/96/939497196.db2.gz XPBIDJCQZLRUHE-VIFPVBQESA-N 1 2 282.281 1.949 20 30 CDEDLO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](CC(=O)OCC)C2 ZINC001207412631 940190643 /nfs/dbraw/zinc/19/06/43/940190643.db2.gz ISECIVRTXUDWNJ-MRXNPFEDSA-N 1 2 294.395 1.583 20 30 CDEDLO C=CCN1C(=O)CCC[C@]12CCC[N@H+](CC(=O)OCC)C2 ZINC001207412631 940190645 /nfs/dbraw/zinc/19/06/45/940190645.db2.gz ISECIVRTXUDWNJ-MRXNPFEDSA-N 1 2 294.395 1.583 20 30 CDEDLO CC#CC[NH2+][C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001208084480 940287675 /nfs/dbraw/zinc/28/76/75/940287675.db2.gz PEZNBNMSAAXANT-VHSXEESVSA-N 1 2 280.265 1.491 20 30 CDEDLO CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001208084480 940287677 /nfs/dbraw/zinc/28/76/77/940287677.db2.gz PEZNBNMSAAXANT-VHSXEESVSA-N 1 2 280.265 1.491 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1C ZINC001208309477 940317245 /nfs/dbraw/zinc/31/72/45/940317245.db2.gz MYCHWQRNQRNIBG-DGCLKSJQSA-N 1 2 277.368 1.823 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1C ZINC001208309477 940317248 /nfs/dbraw/zinc/31/72/48/940317248.db2.gz MYCHWQRNQRNIBG-DGCLKSJQSA-N 1 2 277.368 1.823 20 30 CDEDLO C=CCN(CC[NH+]1CC(C)(OC)C1)C(=O)OCC ZINC001209017175 940424050 /nfs/dbraw/zinc/42/40/50/940424050.db2.gz LQTDFMYFICNRHV-UHFFFAOYSA-N 1 2 256.346 1.352 20 30 CDEDLO C=CCN(CCN1CC([N@@H+]2CC[C@H](F)C2)C1)C(=O)OCC ZINC001209023075 940425623 /nfs/dbraw/zinc/42/56/23/940425623.db2.gz ZSYDGMRPKHIMKP-ZDUSSCGKSA-N 1 2 299.390 1.359 20 30 CDEDLO C=CCN(CCN1CC([N@H+]2CC[C@H](F)C2)C1)C(=O)OCC ZINC001209023075 940425624 /nfs/dbraw/zinc/42/56/24/940425624.db2.gz ZSYDGMRPKHIMKP-ZDUSSCGKSA-N 1 2 299.390 1.359 20 30 CDEDLO C#Cc1cc(Nc2ccc(C(=O)NC)cc2F)cc[nH+]1 ZINC001214859847 940841165 /nfs/dbraw/zinc/84/11/65/940841165.db2.gz AFBRPYWIRXBZBP-UHFFFAOYSA-N 1 2 269.279 1.727 20 30 CDEDLO C#Cc1cc(Nc2ccc(C(N)=O)cc2OC)cc[nH+]1 ZINC001215632712 940899315 /nfs/dbraw/zinc/89/93/15/940899315.db2.gz RAPPNTVPPORMRW-UHFFFAOYSA-N 1 2 267.288 1.336 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)ns2)C[C@@H]1O ZINC001219344726 941332897 /nfs/dbraw/zinc/33/28/97/941332897.db2.gz UCMZMEHPXHQSKU-OLZOCXBDSA-N 1 2 295.408 1.079 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ns2)C[C@@H]1O ZINC001219344726 941332901 /nfs/dbraw/zinc/33/29/01/941332901.db2.gz UCMZMEHPXHQSKU-OLZOCXBDSA-N 1 2 295.408 1.079 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@@H]1O ZINC001219716056 941383504 /nfs/dbraw/zinc/38/35/04/941383504.db2.gz YRHFKIRQAJYYLQ-KGLIPLIRSA-N 1 2 293.367 1.001 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@@H]1O ZINC001219716056 941383506 /nfs/dbraw/zinc/38/35/06/941383506.db2.gz YRHFKIRQAJYYLQ-KGLIPLIRSA-N 1 2 293.367 1.001 20 30 CDEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](C[C@H](F)CC)C[C@@H]2O)CC1 ZINC001220290386 941433265 /nfs/dbraw/zinc/43/32/65/941433265.db2.gz XKJRNSWFRJCWMH-MCIONIFRSA-N 1 2 298.402 1.642 20 30 CDEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](F)CC)C[C@@H]2O)CC1 ZINC001220290386 941433266 /nfs/dbraw/zinc/43/32/66/941433266.db2.gz XKJRNSWFRJCWMH-MCIONIFRSA-N 1 2 298.402 1.642 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccco3)[C@@H]2C1 ZINC001221228859 941505695 /nfs/dbraw/zinc/50/56/95/941505695.db2.gz GUIUQPILKRYFCM-ZIAGYGMSSA-N 1 2 288.347 1.076 20 30 CDEDLO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccco3)[C@@H]2C1 ZINC001221228859 941505696 /nfs/dbraw/zinc/50/56/96/941505696.db2.gz GUIUQPILKRYFCM-ZIAGYGMSSA-N 1 2 288.347 1.076 20 30 CDEDLO C=CCCC(=O)NCC1CC[NH+](Cc2cnn(C)n2)CC1 ZINC001222578895 941616782 /nfs/dbraw/zinc/61/67/82/941616782.db2.gz JCYWPKSOHHXKHV-UHFFFAOYSA-N 1 2 291.399 1.110 20 30 CDEDLO CNC(=O)c1cccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001225417777 941855448 /nfs/dbraw/zinc/85/54/48/941855448.db2.gz PAXZDLWUMNLXJW-ABWMFPBJSA-N 1 2 288.347 1.037 20 30 CDEDLO CNC(=O)c1cccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001225417777 941855452 /nfs/dbraw/zinc/85/54/52/941855452.db2.gz PAXZDLWUMNLXJW-ABWMFPBJSA-N 1 2 288.347 1.037 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2nc3cc(C#N)ccc3[nH]2)C1 ZINC001227218625 942151455 /nfs/dbraw/zinc/15/14/55/942151455.db2.gz HHQWPAPDHFHDAE-LLVKDONJSA-N 1 2 272.308 1.144 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2nc3cc(C#N)ccc3[nH]2)C1 ZINC001227218625 942151459 /nfs/dbraw/zinc/15/14/59/942151459.db2.gz HHQWPAPDHFHDAE-LLVKDONJSA-N 1 2 272.308 1.144 20 30 CDEDLO C#C[C@@H](C)Oc1nc(=O)[nH]c(CN2CCCC2=[NH2+])c1Cl ZINC001230092528 942585041 /nfs/dbraw/zinc/58/50/41/942585041.db2.gz WBFVFBKIIVHTEB-MRVPVSSYSA-N 1 2 294.742 1.809 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CSCCC ZINC001230925787 942734797 /nfs/dbraw/zinc/73/47/97/942734797.db2.gz PZMJKPRVGKOEHH-GFCCVEGCSA-N 1 2 254.399 1.296 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CSCCC ZINC001230925787 942734798 /nfs/dbraw/zinc/73/47/98/942734798.db2.gz PZMJKPRVGKOEHH-GFCCVEGCSA-N 1 2 254.399 1.296 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)OCCCC ZINC001231093621 942782490 /nfs/dbraw/zinc/78/24/90/942782490.db2.gz BLJCOZXYVOLEQA-ZIAGYGMSSA-N 1 2 266.385 1.358 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)OCCCC ZINC001231093621 942782492 /nfs/dbraw/zinc/78/24/92/942782492.db2.gz BLJCOZXYVOLEQA-ZIAGYGMSSA-N 1 2 266.385 1.358 20 30 CDEDLO Cc1ncc(C[N@H+]2CC[C@@H]2CN(C)C(=O)[C@@H](C)C#N)s1 ZINC001231248081 942833416 /nfs/dbraw/zinc/83/34/16/942833416.db2.gz UJZVADCGMVBQBC-CMPLNLGQSA-N 1 2 292.408 1.644 20 30 CDEDLO Cc1ncc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)[C@@H](C)C#N)s1 ZINC001231248081 942833419 /nfs/dbraw/zinc/83/34/19/942833419.db2.gz UJZVADCGMVBQBC-CMPLNLGQSA-N 1 2 292.408 1.644 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@@H]2CN(C)C(=O)[C@@H](C)C#N)sn1 ZINC001231292765 942845804 /nfs/dbraw/zinc/84/58/04/942845804.db2.gz FWKQFJAUPWLVIM-CMPLNLGQSA-N 1 2 292.408 1.644 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)[C@@H](C)C#N)sn1 ZINC001231292765 942845808 /nfs/dbraw/zinc/84/58/08/942845808.db2.gz FWKQFJAUPWLVIM-CMPLNLGQSA-N 1 2 292.408 1.644 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c(F)ccc(F)c2OC)CC1 ZINC001231414361 942882974 /nfs/dbraw/zinc/88/29/74/942882974.db2.gz QDORRBZCEKDVFM-UHFFFAOYSA-N 1 2 280.318 1.724 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(=O)[nH]n2)C1 ZINC001232029427 943107023 /nfs/dbraw/zinc/10/70/23/943107023.db2.gz PRQJQXRNPLEGKP-LLVKDONJSA-N 1 2 292.339 1.059 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(=O)[nH]n2)C1 ZINC001232029427 943107028 /nfs/dbraw/zinc/10/70/28/943107028.db2.gz PRQJQXRNPLEGKP-LLVKDONJSA-N 1 2 292.339 1.059 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001232479745 943293098 /nfs/dbraw/zinc/29/30/98/943293098.db2.gz WMUHQKAJORSESU-ZDUSSCGKSA-N 1 2 258.325 1.006 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccn1 ZINC001232479745 943293101 /nfs/dbraw/zinc/29/31/01/943293101.db2.gz WMUHQKAJORSESU-ZDUSSCGKSA-N 1 2 258.325 1.006 20 30 CDEDLO N#Cc1ccnc(C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)c1 ZINC001232479511 943293600 /nfs/dbraw/zinc/29/36/00/943293600.db2.gz RVBUVABOXBARTE-AWEZNQCLSA-N 1 2 272.308 1.028 20 30 CDEDLO N#Cc1ccnc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c1 ZINC001232479511 943293604 /nfs/dbraw/zinc/29/36/04/943293604.db2.gz RVBUVABOXBARTE-AWEZNQCLSA-N 1 2 272.308 1.028 20 30 CDEDLO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2O)CC[C@@]1(C)O ZINC001232674219 943357597 /nfs/dbraw/zinc/35/75/97/943357597.db2.gz SYVJORSZJRSHNJ-XHDPSFHLSA-N 1 2 260.337 1.857 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2O)CC[C@@]1(C)O ZINC001232674219 943357600 /nfs/dbraw/zinc/35/76/00/943357600.db2.gz SYVJORSZJRSHNJ-XHDPSFHLSA-N 1 2 260.337 1.857 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c[nH]c3ccc(O)cc23)CC1 ZINC001232870751 943422816 /nfs/dbraw/zinc/42/28/16/943422816.db2.gz JHSQGRZWJPNNND-UHFFFAOYSA-N 1 2 269.348 1.624 20 30 CDEDLO C=CC[NH+]1CCN(Cc2cc(Cl)ncc2O)CC1 ZINC001233035628 943470847 /nfs/dbraw/zinc/47/08/47/943470847.db2.gz HDVFZYFHPVKCPR-UHFFFAOYSA-N 1 2 267.760 1.744 20 30 CDEDLO Cn1cc(C[NH+]2CC3(CN(c4ccccn4)C3)C2)cc1C#N ZINC001277752938 943471992 /nfs/dbraw/zinc/47/19/92/943471992.db2.gz NCVZRXUMCCYMJZ-UHFFFAOYSA-N 1 2 293.374 1.614 20 30 CDEDLO CC[N@@H+]1CCCN(Cc2ccc(C#N)cc2O)CC1 ZINC001233383553 943569501 /nfs/dbraw/zinc/56/95/01/943569501.db2.gz MGXMPZIJWYYMKR-UHFFFAOYSA-N 1 2 259.353 1.791 20 30 CDEDLO CC[N@H+]1CCCN(Cc2ccc(C#N)cc2O)CC1 ZINC001233383553 943569507 /nfs/dbraw/zinc/56/95/07/943569507.db2.gz MGXMPZIJWYYMKR-UHFFFAOYSA-N 1 2 259.353 1.791 20 30 CDEDLO CCN1CCC[N@H+](Cc2ccc(C#N)cc2O)CC1 ZINC001233383553 943569510 /nfs/dbraw/zinc/56/95/10/943569510.db2.gz MGXMPZIJWYYMKR-UHFFFAOYSA-N 1 2 259.353 1.791 20 30 CDEDLO CCN1CCC[N@@H+](Cc2ccc(C#N)cc2O)CC1 ZINC001233383553 943569513 /nfs/dbraw/zinc/56/95/13/943569513.db2.gz MGXMPZIJWYYMKR-UHFFFAOYSA-N 1 2 259.353 1.791 20 30 CDEDLO CN1CCC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3O)C[C@@H]21 ZINC001233387519 943574636 /nfs/dbraw/zinc/57/46/36/943574636.db2.gz MKDCIDXKUZNVOY-HIFRSBDPSA-N 1 2 271.364 1.790 20 30 CDEDLO CN1CCC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3O)C[C@@H]21 ZINC001233387519 943574638 /nfs/dbraw/zinc/57/46/38/943574638.db2.gz MKDCIDXKUZNVOY-HIFRSBDPSA-N 1 2 271.364 1.790 20 30 CDEDLO C=C(C)CN(CC)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001263749839 943959874 /nfs/dbraw/zinc/95/98/74/943959874.db2.gz KHNKKJDZTRVFCK-UHFFFAOYSA-N 1 2 297.399 1.043 20 30 CDEDLO C=C(C)CN(CC)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001263749839 943959878 /nfs/dbraw/zinc/95/98/78/943959878.db2.gz KHNKKJDZTRVFCK-UHFFFAOYSA-N 1 2 297.399 1.043 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccc(OC)c(C(=O)OC)c1 ZINC001234968277 943987711 /nfs/dbraw/zinc/98/77/11/943987711.db2.gz RHMRLFLEFXTZMU-UHFFFAOYSA-N 1 2 271.316 1.550 20 30 CDEDLO CC(C)NC(=O)N1CC2(C1)CCC[N@H+](CCC#N)C2 ZINC001277941012 944139213 /nfs/dbraw/zinc/13/92/13/944139213.db2.gz IRTMHZPKWDYSTF-UHFFFAOYSA-N 1 2 264.373 1.416 20 30 CDEDLO CC(C)NC(=O)N1CC2(C1)CCC[N@@H+](CCC#N)C2 ZINC001277941012 944139216 /nfs/dbraw/zinc/13/92/16/944139216.db2.gz IRTMHZPKWDYSTF-UHFFFAOYSA-N 1 2 264.373 1.416 20 30 CDEDLO Cn1cc(C[NH+]2CC3(C2)CS(=O)C3)c2cc(C#N)ccc21 ZINC001237463897 944795025 /nfs/dbraw/zinc/79/50/25/944795025.db2.gz AGUQJDKTYNQLKI-UHFFFAOYSA-N 1 2 299.399 1.614 20 30 CDEDLO Cc1ccc(N2CC[NH+](Cc3ccnc(C#N)c3)CC2)nc1 ZINC001237470166 944802885 /nfs/dbraw/zinc/80/28/85/944802885.db2.gz NONHUPZCTYSFMF-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO C=CCC[C@@H](C)[N@@H+]1C[C@](O)(C(F)(F)F)C[C@H]1C(=O)OC ZINC001258725321 945394107 /nfs/dbraw/zinc/39/41/07/945394107.db2.gz KCZGSTGRULYHNQ-SCVCMEIPSA-N 1 2 295.301 1.882 20 30 CDEDLO C=CCC[C@@H](C)[N@H+]1C[C@](O)(C(F)(F)F)C[C@H]1C(=O)OC ZINC001258725321 945394098 /nfs/dbraw/zinc/39/40/98/945394098.db2.gz KCZGSTGRULYHNQ-SCVCMEIPSA-N 1 2 295.301 1.882 20 30 CDEDLO CN(C)C(=O)[C@H]1CC12C[NH+](Cc1ccc(C#N)cc1F)C2 ZINC001278305791 945658041 /nfs/dbraw/zinc/65/80/41/945658041.db2.gz LJLCGMKYHWUUTN-CYBMUJFWSA-N 1 2 287.338 1.607 20 30 CDEDLO C=CCS(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001259928129 945712400 /nfs/dbraw/zinc/71/24/00/945712400.db2.gz NLDKGSFCQICRRZ-UHFFFAOYSA-N 1 2 255.343 1.036 20 30 CDEDLO N#C[C@@]1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC12CCCC2 ZINC001362365778 971195333 /nfs/dbraw/zinc/19/53/33/971195333.db2.gz IYKXVPGENSBLHD-BLLLJJGKSA-N 1 2 284.363 1.788 20 30 CDEDLO COC(=O)[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C1CCOCC1 ZINC001254637443 947563197 /nfs/dbraw/zinc/56/31/97/947563197.db2.gz PCJCTSAOKZPNCV-WCFLWFBJSA-N 1 2 266.341 1.236 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+]C1CCC(OCC)CC1 ZINC001256424614 948314563 /nfs/dbraw/zinc/31/45/63/948314563.db2.gz OYGXPPWDPQFUBR-MCIGGMRASA-N 1 2 275.414 1.785 20 30 CDEDLO N#CC[C@H](N)c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001248225825 948979850 /nfs/dbraw/zinc/97/98/50/948979850.db2.gz VNTRYCXKYJMTFS-LBPRGKRZSA-N 1 2 280.291 1.836 20 30 CDEDLO C#CC[NH+]1CCN(Cc2nc3cc(C)ccc3[nH]2)CC1 ZINC001248842650 949221665 /nfs/dbraw/zinc/22/16/65/949221665.db2.gz DPIRXNXKSYBLAO-UHFFFAOYSA-N 1 2 268.364 1.622 20 30 CDEDLO C[N@H+](C1COC1)C1CN(Cc2cccc(C#N)c2F)C1 ZINC001249687312 949753224 /nfs/dbraw/zinc/75/32/24/949753224.db2.gz AJAAOWFYJSVWHQ-UHFFFAOYSA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@@H+](C1COC1)C1CN(Cc2cccc(C#N)c2F)C1 ZINC001249687312 949753231 /nfs/dbraw/zinc/75/32/31/949753231.db2.gz AJAAOWFYJSVWHQ-UHFFFAOYSA-N 1 2 275.327 1.212 20 30 CDEDLO CNC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC001249693105 949758634 /nfs/dbraw/zinc/75/86/34/949758634.db2.gz IGDQLWFPRLKPIK-ZDUSSCGKSA-N 1 2 290.342 1.591 20 30 CDEDLO CNC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC001249693105 949758653 /nfs/dbraw/zinc/75/86/53/949758653.db2.gz IGDQLWFPRLKPIK-ZDUSSCGKSA-N 1 2 290.342 1.591 20 30 CDEDLO C=CCC[C@H](O)C[NH2+]C1(C(=O)OCC)CCOCC1 ZINC001252611501 951505445 /nfs/dbraw/zinc/50/54/45/951505445.db2.gz CABSITATPLISGI-LBPRGKRZSA-N 1 2 271.357 1.015 20 30 CDEDLO C[C@H]1C[C@@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)c2nccn21 ZINC001327121031 954718117 /nfs/dbraw/zinc/71/81/17/954718117.db2.gz NHOMWECSUPXOBK-GXFFZTMASA-N 1 2 293.334 1.593 20 30 CDEDLO N#CCC[C@H](C#N)C[NH+]1CCC(c2nnc(N)o2)CC1 ZINC001422003512 955697716 /nfs/dbraw/zinc/69/77/16/955697716.db2.gz FIHQCBKMLQQGBU-SNVBAGLBSA-N 1 2 274.328 1.275 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C[C@H]1CCOC1 ZINC001422557944 956150209 /nfs/dbraw/zinc/15/02/09/956150209.db2.gz BZZWXXNRPKGZSP-VXGBXAGGSA-N 1 2 274.792 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C[C@H]1CCOC1 ZINC001422557944 956150218 /nfs/dbraw/zinc/15/02/18/956150218.db2.gz BZZWXXNRPKGZSP-VXGBXAGGSA-N 1 2 274.792 1.602 20 30 CDEDLO COc1cnc(F)c(C[NH2+]CC2(C#N)CCOCC2)c1 ZINC001308548742 956544125 /nfs/dbraw/zinc/54/41/25/956544125.db2.gz GGOORJDTUKPWHV-UHFFFAOYSA-N 1 2 279.315 1.639 20 30 CDEDLO C=CCC[C@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C(=O)OCC ZINC001330804077 956639431 /nfs/dbraw/zinc/63/94/31/956639431.db2.gz IAFILVYEWASEPL-NEPJUHHUSA-N 1 2 279.340 1.458 20 30 CDEDLO CCOCC(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001366509178 956890249 /nfs/dbraw/zinc/89/02/49/956890249.db2.gz XBSLGCFQFCWVLS-UHFFFAOYSA-N 1 2 293.342 1.282 20 30 CDEDLO CCOCC(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001366509178 956890264 /nfs/dbraw/zinc/89/02/64/956890264.db2.gz XBSLGCFQFCWVLS-UHFFFAOYSA-N 1 2 293.342 1.282 20 30 CDEDLO C[C@@H](C#N)C(=O)NC1(C)CC[NH+](Cc2cscn2)CC1 ZINC001368111764 958644369 /nfs/dbraw/zinc/64/43/69/958644369.db2.gz HOTRYUXRJPZOLV-NSHDSACASA-N 1 2 292.408 1.773 20 30 CDEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1ccnn1C ZINC001323088221 960439304 /nfs/dbraw/zinc/43/93/04/960439304.db2.gz PRJDLEKYZXPRTQ-VOTSOKGWSA-N 1 2 256.309 1.777 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H]1Cc2ccccc2NC1=O ZINC001336783108 960585564 /nfs/dbraw/zinc/58/55/64/960585564.db2.gz DPEKEHRFTAAEPP-SMDDNHRTSA-N 1 2 268.320 1.583 20 30 CDEDLO N#CCC(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001337329132 961118681 /nfs/dbraw/zinc/11/86/81/961118681.db2.gz PUIVKMDPWIDATF-LBPRGKRZSA-N 1 2 263.728 1.727 20 30 CDEDLO Cc1nnc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2C#N)o1 ZINC001434465123 961453962 /nfs/dbraw/zinc/45/39/62/961453962.db2.gz DXDXIGLZEDUQJO-JTQLQIEISA-N 1 2 299.334 1.929 20 30 CDEDLO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccn(C)n1 ZINC001434473749 961476816 /nfs/dbraw/zinc/47/68/16/961476816.db2.gz XWLNYOMIDOXNAJ-VIFPVBQESA-N 1 2 289.364 1.643 20 30 CDEDLO CCN(CC[NH2+][C@@H](C)c1nc(C)no1)C(=O)[C@@H](C)C#N ZINC001420237945 962610315 /nfs/dbraw/zinc/61/03/15/962610315.db2.gz LMZAJZPITBLHMN-UWVGGRQHSA-N 1 2 279.344 1.037 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCn1cc(C)cn1 ZINC001437571295 963028821 /nfs/dbraw/zinc/02/88/21/963028821.db2.gz VEIGTMWVKVTBBX-UHFFFAOYSA-N 1 2 284.791 1.382 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCn1cc(C)cn1 ZINC001437571295 963028836 /nfs/dbraw/zinc/02/88/36/963028836.db2.gz VEIGTMWVKVTBBX-UHFFFAOYSA-N 1 2 284.791 1.382 20 30 CDEDLO CN(CCCn1cc[nH+]c1)c1cccc(CC#N)n1 ZINC001342858372 963842994 /nfs/dbraw/zinc/84/29/94/963842994.db2.gz GCQCKWAYSHSCCY-UHFFFAOYSA-N 1 2 255.325 1.871 20 30 CDEDLO C=CCCOCC(=O)OCCCc1c[nH+]cn1C ZINC001345052868 964552271 /nfs/dbraw/zinc/55/22/71/964552271.db2.gz XYZDQVYJNISOML-UHFFFAOYSA-N 1 2 252.314 1.489 20 30 CDEDLO CO[C@H](C)C(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001444950612 966017816 /nfs/dbraw/zinc/01/78/16/966017816.db2.gz KAACECDPTNKQFO-CYBMUJFWSA-N 1 2 289.379 1.483 20 30 CDEDLO CO[C@H](C)C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001444950612 966017827 /nfs/dbraw/zinc/01/78/27/966017827.db2.gz KAACECDPTNKQFO-CYBMUJFWSA-N 1 2 289.379 1.483 20 30 CDEDLO C=C(CC)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001348569808 966067292 /nfs/dbraw/zinc/06/72/92/966067292.db2.gz FWDZHGWVVYNNTP-AWEZNQCLSA-N 1 2 284.425 1.277 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCCC(=O)NC ZINC001445713831 966301294 /nfs/dbraw/zinc/30/12/94/966301294.db2.gz SWZWBBAXKKMZAS-LLVKDONJSA-N 1 2 289.807 1.092 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCCC(=O)NC ZINC001445713831 966301303 /nfs/dbraw/zinc/30/13/03/966301303.db2.gz SWZWBBAXKKMZAS-LLVKDONJSA-N 1 2 289.807 1.092 20 30 CDEDLO C#CCCCC(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001100040436 967287541 /nfs/dbraw/zinc/28/75/41/967287541.db2.gz PCOZDPVDZFKIGS-UHFFFAOYSA-N 1 2 260.341 1.141 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001100317975 968001730 /nfs/dbraw/zinc/00/17/30/968001730.db2.gz RUJLTBNLRFWTDX-OAHLLOKOSA-N 1 2 276.384 1.940 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)c1sccc1C#N ZINC001529222385 969014696 /nfs/dbraw/zinc/01/46/96/969014696.db2.gz IMHAOSORAXSFBS-UHFFFAOYSA-N 1 2 260.322 1.326 20 30 CDEDLO CCn1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC001462297530 969682765 /nfs/dbraw/zinc/68/27/65/969682765.db2.gz OCMPEPXPZLJCQH-OAHLLOKOSA-N 1 2 297.362 1.823 20 30 CDEDLO CCn1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC001462297530 969682768 /nfs/dbraw/zinc/68/27/68/969682768.db2.gz OCMPEPXPZLJCQH-OAHLLOKOSA-N 1 2 297.362 1.823 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cn[nH]c1 ZINC001498235359 973767369 /nfs/dbraw/zinc/76/73/69/973767369.db2.gz CHORWMBIRAZKQN-VIFPVBQESA-N 1 2 256.737 1.212 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cn[nH]c1 ZINC001498235359 973767377 /nfs/dbraw/zinc/76/73/77/973767377.db2.gz CHORWMBIRAZKQN-VIFPVBQESA-N 1 2 256.737 1.212 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cn1cccn1 ZINC001374465307 973963681 /nfs/dbraw/zinc/96/36/81/973963681.db2.gz RUOQBDFNKFNRDF-UHFFFAOYSA-N 1 2 270.764 1.026 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cn1cccn1 ZINC001374465307 973963692 /nfs/dbraw/zinc/96/36/92/973963692.db2.gz RUOQBDFNKFNRDF-UHFFFAOYSA-N 1 2 270.764 1.026 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccnc(OC)c1 ZINC001377321639 974974386 /nfs/dbraw/zinc/97/43/86/974974386.db2.gz JZQDKVCKQUTPPM-UHFFFAOYSA-N 1 2 297.786 1.894 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccnc(OC)c1 ZINC001377321639 974974392 /nfs/dbraw/zinc/97/43/92/974974392.db2.gz JZQDKVCKQUTPPM-UHFFFAOYSA-N 1 2 297.786 1.894 20 30 CDEDLO Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@@H](C)C#N)CC2)no1 ZINC001402036736 976093205 /nfs/dbraw/zinc/09/32/05/976093205.db2.gz GRLVNJKIPPDVME-NSHDSACASA-N 1 2 290.367 1.566 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1nccn2ccnc12 ZINC001399581767 976584490 /nfs/dbraw/zinc/58/44/90/976584490.db2.gz PMYULLFLGRJTQM-UHFFFAOYSA-N 1 2 293.758 1.143 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1nccn2ccnc12 ZINC001399581767 976584496 /nfs/dbraw/zinc/58/44/96/976584496.db2.gz PMYULLFLGRJTQM-UHFFFAOYSA-N 1 2 293.758 1.143 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cc1c(C)n[nH]c1C ZINC001399646172 976617150 /nfs/dbraw/zinc/61/71/50/976617150.db2.gz MCYUFRGDYPTVON-UHFFFAOYSA-N 1 2 284.791 1.370 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cc1c(C)n[nH]c1C ZINC001399646172 976617156 /nfs/dbraw/zinc/61/71/56/976617156.db2.gz MCYUFRGDYPTVON-UHFFFAOYSA-N 1 2 284.791 1.370 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccnc2[nH]cnc21 ZINC001403590233 977089691 /nfs/dbraw/zinc/08/96/91/977089691.db2.gz PLVPGMNCHLLUJE-UHFFFAOYSA-N 1 2 293.758 1.372 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccnc2[nH]cnc21 ZINC001403590233 977089702 /nfs/dbraw/zinc/08/97/02/977089702.db2.gz PLVPGMNCHLLUJE-UHFFFAOYSA-N 1 2 293.758 1.372 20 30 CDEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(N)=O)C2)CC1 ZINC001132290185 1163232542 /nfs/dbraw/zinc/23/25/42/1163232542.db2.gz BDZWSTBYMGRUBM-CHWSQXEVSA-N 1 2 293.411 1.187 20 30 CDEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(N)=O)C2)CC1 ZINC001132290185 1163232550 /nfs/dbraw/zinc/23/25/50/1163232550.db2.gz BDZWSTBYMGRUBM-CHWSQXEVSA-N 1 2 293.411 1.187 20 30 CDEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001132565827 1163374424 /nfs/dbraw/zinc/37/44/24/1163374424.db2.gz ZZXKSRCWAQTXQZ-NXEZZACHSA-N 1 2 266.345 1.042 20 30 CDEDLO CC#CCCCC(=O)NCC[NH2+][C@H](C)c1nc(CC)no1 ZINC001132602316 1163388745 /nfs/dbraw/zinc/38/87/45/1163388745.db2.gz ZYAFDQCLWGOMEU-GFCCVEGCSA-N 1 2 292.383 1.592 20 30 CDEDLO C=CCCC(=O)N1CC[C@H](CC[NH2+]Cc2c[nH]nn2)C1 ZINC001575084840 1171108315 /nfs/dbraw/zinc/10/83/15/1171108315.db2.gz ASJHOMMKYYDLAR-LBPRGKRZSA-N 1 2 277.372 1.099 20 30 CDEDLO C=CCCC(=O)N1CC[C@H](CC[NH2+]Cc2cn[nH]n2)C1 ZINC001575084840 1171108323 /nfs/dbraw/zinc/10/83/23/1171108323.db2.gz ASJHOMMKYYDLAR-LBPRGKRZSA-N 1 2 277.372 1.099 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(-c2ccccc2)no1 ZINC000589827835 342514822 /nfs/dbraw/zinc/51/48/22/342514822.db2.gz PPGCHYSRFXTCHU-INIZCTEOSA-N 1 2 298.346 1.915 20 30 CDEDLO Cc1nc(C)c(C[NH+]2CCN(c3cnccc3C#N)CC2)o1 ZINC000590014008 342520232 /nfs/dbraw/zinc/52/02/32/342520232.db2.gz XDYKEVLWIOUEFN-UHFFFAOYSA-N 1 2 297.362 1.880 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590216181 342525464 /nfs/dbraw/zinc/52/54/64/342525464.db2.gz RZXFUZCNIFHMGY-CQSZACIVSA-N 1 2 295.346 1.936 20 30 CDEDLO C[C@H](CCC#N)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000351606185 361797450 /nfs/dbraw/zinc/79/74/50/361797450.db2.gz BIIDOHPNMSRUCQ-OAHLLOKOSA-N 1 2 292.427 1.309 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000109812021 342575345 /nfs/dbraw/zinc/57/53/45/342575345.db2.gz PFVDCJHNIBYVLB-UHFFFAOYSA-N 1 2 280.372 1.260 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000109812021 342575346 /nfs/dbraw/zinc/57/53/46/342575346.db2.gz PFVDCJHNIBYVLB-UHFFFAOYSA-N 1 2 280.372 1.260 20 30 CDEDLO N#Cc1ccc(SCC(=O)N2CCc3[nH]c[nH+]c3C2)cc1 ZINC000590552407 342576372 /nfs/dbraw/zinc/57/63/72/342576372.db2.gz KIADQEVGUMIDQN-UHFFFAOYSA-N 1 2 298.371 1.958 20 30 CDEDLO N#Cc1ccc(SCC(=O)N2CCc3[nH+]c[nH]c3C2)cc1 ZINC000590552407 342576373 /nfs/dbraw/zinc/57/63/73/342576373.db2.gz KIADQEVGUMIDQN-UHFFFAOYSA-N 1 2 298.371 1.958 20 30 CDEDLO N#Cc1ccc([N+](=O)[O-])c(NCCn2cc[nH+]c2)c1 ZINC000124754349 187152542 /nfs/dbraw/zinc/15/25/42/187152542.db2.gz COGLUCADDMMJQH-UHFFFAOYSA-N 1 2 257.253 1.775 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@](C)(O)C1 ZINC000124948264 187162783 /nfs/dbraw/zinc/16/27/83/187162783.db2.gz FRIAFHKIXLMROS-HOCLYGCPSA-N 1 2 288.347 1.619 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@](C)(O)C1 ZINC000124948264 187162784 /nfs/dbraw/zinc/16/27/84/187162784.db2.gz FRIAFHKIXLMROS-HOCLYGCPSA-N 1 2 288.347 1.619 20 30 CDEDLO CC(C)[C@@H](NC(=O)c1ccc(C#N)cn1)c1[nH]cc[nH+]1 ZINC000565279770 365619814 /nfs/dbraw/zinc/61/98/14/365619814.db2.gz RDCXEPNWTAYFOW-GFCCVEGCSA-N 1 2 269.308 1.803 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000364841040 342597988 /nfs/dbraw/zinc/59/79/88/342597988.db2.gz FDOAKGDRTWXQKM-GDBMZVCRSA-N 1 2 296.411 1.148 20 30 CDEDLO N#Cc1ccc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1F ZINC000590885935 342605627 /nfs/dbraw/zinc/60/56/27/342605627.db2.gz XJORWLFBCXTBGJ-ZDUSSCGKSA-N 1 2 298.321 1.773 20 30 CDEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc(O)cc(C#N)c1 ZINC000590874904 342602172 /nfs/dbraw/zinc/60/21/72/342602172.db2.gz NMVCWBODPFSPJT-SNVBAGLBSA-N 1 2 284.319 1.971 20 30 CDEDLO C[N@H+](CCC#N)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000083219140 178357824 /nfs/dbraw/zinc/35/78/24/178357824.db2.gz FHXFYAMFWYORIF-ZDUSSCGKSA-N 1 2 259.309 1.857 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000083219140 178357825 /nfs/dbraw/zinc/35/78/25/178357825.db2.gz FHXFYAMFWYORIF-ZDUSSCGKSA-N 1 2 259.309 1.857 20 30 CDEDLO C=C[C@@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)C(=O)OC ZINC000591376601 342629245 /nfs/dbraw/zinc/62/92/45/342629245.db2.gz XBVOCJLWXNQNTC-NWDGAFQWSA-N 1 2 253.342 1.653 20 30 CDEDLO N#CCCN1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000616768786 342133853 /nfs/dbraw/zinc/13/38/53/342133853.db2.gz MFXSPSMQQFFCNB-UHFFFAOYSA-N 1 2 272.327 1.729 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000591880227 342652116 /nfs/dbraw/zinc/65/21/16/342652116.db2.gz YEJKOYJWPMNATK-MJBXVCDLSA-N 1 2 287.367 1.922 20 30 CDEDLO Cc1nc(CC(N)=[NH+]OCC(=O)NC2CCCC2)cs1 ZINC000054391106 342146814 /nfs/dbraw/zinc/14/68/14/342146814.db2.gz GVGBUOYUUWUHCU-UHFFFAOYSA-N 1 2 296.396 1.342 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc2cc[nH]c21 ZINC000591774872 342646218 /nfs/dbraw/zinc/64/62/18/342646218.db2.gz HYYAJDOTKVBJRG-CYBMUJFWSA-N 1 2 272.352 1.786 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc2cc[nH]c21 ZINC000591774872 342646219 /nfs/dbraw/zinc/64/62/19/342646219.db2.gz HYYAJDOTKVBJRG-CYBMUJFWSA-N 1 2 272.352 1.786 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000592147452 342667907 /nfs/dbraw/zinc/66/79/07/342667907.db2.gz MAVKJNBWZGXZTE-CYBMUJFWSA-N 1 2 290.348 1.649 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000592147452 342667908 /nfs/dbraw/zinc/66/79/08/342667908.db2.gz MAVKJNBWZGXZTE-CYBMUJFWSA-N 1 2 290.348 1.649 20 30 CDEDLO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147738 342668264 /nfs/dbraw/zinc/66/82/64/342668264.db2.gz RNTLFOJDHLMGKG-WFASDCNBSA-N 1 2 298.350 1.074 20 30 CDEDLO C[C@@H](c1nnnn1-c1ccccc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147738 342668265 /nfs/dbraw/zinc/66/82/65/342668265.db2.gz RNTLFOJDHLMGKG-WFASDCNBSA-N 1 2 298.350 1.074 20 30 CDEDLO COc1c(C)cnc(C[N@@H+]2CC[C@@](O)(CC#N)C2)c1C ZINC000592149993 342668653 /nfs/dbraw/zinc/66/86/53/342668653.db2.gz BDFBRDDAIBLDFY-HNNXBMFYSA-N 1 2 275.352 1.558 20 30 CDEDLO COc1c(C)cnc(C[N@H+]2CC[C@@](O)(CC#N)C2)c1C ZINC000592149993 342668654 /nfs/dbraw/zinc/66/86/54/342668654.db2.gz BDFBRDDAIBLDFY-HNNXBMFYSA-N 1 2 275.352 1.558 20 30 CDEDLO N#CC[C@]1(O)CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000592837216 342733257 /nfs/dbraw/zinc/73/32/57/342733257.db2.gz FRWXULDCDFGVKX-INIZCTEOSA-N 1 2 296.330 1.363 20 30 CDEDLO COCCOCC[NH+]1CCN(CCCC(C)(C)C#N)CC1 ZINC000593116242 342770221 /nfs/dbraw/zinc/77/02/21/342770221.db2.gz IXKHBEKFAAGFDK-UHFFFAOYSA-N 1 2 297.443 1.597 20 30 CDEDLO Cc1c(Cl)cncc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593153433 342774114 /nfs/dbraw/zinc/77/41/14/342774114.db2.gz OZCJURFVTQPKRM-CYBMUJFWSA-N 1 2 280.759 1.617 20 30 CDEDLO C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1CCCC1 ZINC000593154457 342774268 /nfs/dbraw/zinc/77/42/68/342774268.db2.gz SMTKIPUZNVZGNY-FZMZJTMJSA-N 1 2 251.374 1.773 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CCCC1(C)C ZINC000593155004 342774451 /nfs/dbraw/zinc/77/44/51/342774451.db2.gz XQGKNSYZWGCEQW-RISCZKNCSA-N 1 2 251.374 1.773 20 30 CDEDLO COc1cc(OC)c(C[N@@H+]2CC[C@](O)(CC#N)C2)cc1F ZINC000593637384 342821229 /nfs/dbraw/zinc/82/12/29/342821229.db2.gz UIGBYNUAYCXRCS-OAHLLOKOSA-N 1 2 294.326 1.693 20 30 CDEDLO COc1cc(OC)c(C[N@H+]2CC[C@](O)(CC#N)C2)cc1F ZINC000593637384 342821231 /nfs/dbraw/zinc/82/12/31/342821231.db2.gz UIGBYNUAYCXRCS-OAHLLOKOSA-N 1 2 294.326 1.693 20 30 CDEDLO N#C[C@@H]1CC[C@@H](n2cc(CC[NH+]3CCOCC3)nn2)C1 ZINC000600812446 342250378 /nfs/dbraw/zinc/25/03/78/342250378.db2.gz FBPSWMAHIBSBLI-TZMCWYRMSA-N 1 2 275.356 1.018 20 30 CDEDLO CC(C)(C)n1nnc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)n1 ZINC000594509657 342914924 /nfs/dbraw/zinc/91/49/24/342914924.db2.gz JXIXWSXYXHBSOU-WDEREUQCSA-N 1 2 262.361 1.600 20 30 CDEDLO C=C[C@@](C)(O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000611795445 346882898 /nfs/dbraw/zinc/88/28/98/346882898.db2.gz PFYDFOKXZOHCSN-OAHLLOKOSA-N 1 2 273.336 1.238 20 30 CDEDLO CC[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000332501251 529603839 /nfs/dbraw/zinc/60/38/39/529603839.db2.gz WRKSVZLSSYSSQJ-QWHCGFSZSA-N 1 2 279.384 1.438 20 30 CDEDLO CC[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000332501251 529603842 /nfs/dbraw/zinc/60/38/42/529603842.db2.gz WRKSVZLSSYSSQJ-QWHCGFSZSA-N 1 2 279.384 1.438 20 30 CDEDLO C=CCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000076220644 342321603 /nfs/dbraw/zinc/32/16/03/342321603.db2.gz GDZADYKYKITACN-UHFFFAOYSA-N 1 2 272.308 1.122 20 30 CDEDLO CCS(=O)(=O)C1C[NH+](CCCCC(C)(C)C#N)C1 ZINC000595515821 343073759 /nfs/dbraw/zinc/07/37/59/343073759.db2.gz BWQMHQDMIVRXBH-UHFFFAOYSA-N 1 2 272.414 1.825 20 30 CDEDLO CN(C[C@H]1CC[N@H+](C)C1)C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329733067 362029604 /nfs/dbraw/zinc/02/96/04/362029604.db2.gz JIMKEHGOJVDQDC-NWDGAFQWSA-N 1 2 291.399 1.065 20 30 CDEDLO CN(C[C@H]1CC[N@@H+](C)C1)C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329733067 362029606 /nfs/dbraw/zinc/02/96/06/362029606.db2.gz JIMKEHGOJVDQDC-NWDGAFQWSA-N 1 2 291.399 1.065 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595700610 343125929 /nfs/dbraw/zinc/12/59/29/343125929.db2.gz CIMJOHAMTQTEFP-ZDUSSCGKSA-N 1 2 291.326 1.584 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595700610 343125932 /nfs/dbraw/zinc/12/59/32/343125932.db2.gz CIMJOHAMTQTEFP-ZDUSSCGKSA-N 1 2 291.326 1.584 20 30 CDEDLO CC[N@H+](CCC#N)C[C@@H](O)COc1ccc(F)cc1 ZINC000081040540 342363490 /nfs/dbraw/zinc/36/34/90/342363490.db2.gz HLPKGOCXHQWDQO-CYBMUJFWSA-N 1 2 266.316 1.801 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@@H](O)COc1ccc(F)cc1 ZINC000081040540 342363491 /nfs/dbraw/zinc/36/34/91/342363491.db2.gz HLPKGOCXHQWDQO-CYBMUJFWSA-N 1 2 266.316 1.801 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1N(c2ccc(C#N)nn2)CC1(C)C ZINC000596001688 343207050 /nfs/dbraw/zinc/20/70/50/343207050.db2.gz ABAYNAOSFVAVSB-GFCCVEGCSA-N 1 2 268.324 1.669 20 30 CDEDLO COC1CC[NH+](Cc2cn(CCCC#N)nn2)CC1 ZINC000600968531 342359208 /nfs/dbraw/zinc/35/92/08/342359208.db2.gz UORALNLGWFUDTE-UHFFFAOYSA-N 1 2 263.345 1.193 20 30 CDEDLO C[C@H](Nc1nc(C#N)c(Cl)s1)[C@@H]1C[N@H+](C)CCO1 ZINC000596168261 343257926 /nfs/dbraw/zinc/25/79/26/343257926.db2.gz SEPRFQURHAYROY-CBAPKCEASA-N 1 2 286.788 1.221 20 30 CDEDLO C[C@H](Nc1nc(C#N)c(Cl)s1)[C@@H]1C[N@@H+](C)CCO1 ZINC000596168261 343257927 /nfs/dbraw/zinc/25/79/27/343257927.db2.gz SEPRFQURHAYROY-CBAPKCEASA-N 1 2 286.788 1.221 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000083218740 342376601 /nfs/dbraw/zinc/37/66/01/342376601.db2.gz UXLAYACGYYNENV-GFCCVEGCSA-N 1 2 268.744 1.925 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000083218740 342376602 /nfs/dbraw/zinc/37/66/02/342376602.db2.gz UXLAYACGYYNENV-GFCCVEGCSA-N 1 2 268.744 1.925 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)NCCCCC#N)[C@@H](C)CO1 ZINC000596265204 343279362 /nfs/dbraw/zinc/27/93/62/343279362.db2.gz GUFDFQJISPZAFF-STQMWFEESA-N 1 2 282.388 1.089 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)NCCCCC#N)[C@@H](C)CO1 ZINC000596265204 343279363 /nfs/dbraw/zinc/27/93/63/343279363.db2.gz GUFDFQJISPZAFF-STQMWFEESA-N 1 2 282.388 1.089 20 30 CDEDLO C#CC[NH+]1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000089591952 342392328 /nfs/dbraw/zinc/39/23/28/342392328.db2.gz XKOYLWYOXLGOFN-UHFFFAOYSA-N 1 2 269.270 1.856 20 30 CDEDLO C[N@@H+]1CCc2ncnc(NCCc3ccc(C#N)cc3)c2C1 ZINC000596320717 343302063 /nfs/dbraw/zinc/30/20/63/343302063.db2.gz OMPQSXVUUYUUSV-UHFFFAOYSA-N 1 2 293.374 1.413 20 30 CDEDLO C[N@H+]1CCc2ncnc(NCCc3ccc(C#N)cc3)c2C1 ZINC000596320717 343302065 /nfs/dbraw/zinc/30/20/65/343302065.db2.gz OMPQSXVUUYUUSV-UHFFFAOYSA-N 1 2 293.374 1.413 20 30 CDEDLO C[C@H](O)CNc1cc(N2CCC[C@@H](CC#N)C2)nc[nH+]1 ZINC000596329472 343304276 /nfs/dbraw/zinc/30/42/76/343304276.db2.gz LIWOQAFCAJEKGS-RYUDHWBXSA-N 1 2 275.356 1.399 20 30 CDEDLO C[C@H](O)CNc1cc(N2CCC[C@@H](CC#N)C2)[nH+]cn1 ZINC000596329472 343304278 /nfs/dbraw/zinc/30/42/78/343304278.db2.gz LIWOQAFCAJEKGS-RYUDHWBXSA-N 1 2 275.356 1.399 20 30 CDEDLO N#CC1(CNC(=O)NCc2ccc[nH+]c2N2CCCC2)CC1 ZINC000596588180 343349493 /nfs/dbraw/zinc/34/94/93/343349493.db2.gz VSJPKGNRPDEREP-UHFFFAOYSA-N 1 2 299.378 1.785 20 30 CDEDLO Cc1cn2ccc(NC(=O)N3CCO[C@@H](C#N)C3)cc2[nH+]1 ZINC000597126028 343459841 /nfs/dbraw/zinc/45/98/41/343459841.db2.gz BNGUYFYCQWRNFD-LBPRGKRZSA-N 1 2 285.307 1.399 20 30 CDEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000295049671 199319579 /nfs/dbraw/zinc/31/95/79/199319579.db2.gz GNJGISRPJQAAAX-MGPQQGTHSA-N 1 2 275.352 1.331 20 30 CDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC(C)(C)CCC#N ZINC000597661743 343599607 /nfs/dbraw/zinc/59/96/07/343599607.db2.gz RTMWYXHVEXPFHA-VXGBXAGGSA-N 1 2 274.368 1.970 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000653744982 412506046 /nfs/dbraw/zinc/50/60/46/412506046.db2.gz XRJXRIDWZSKXLH-MNOVXSKESA-N 1 2 265.361 1.251 20 30 CDEDLO CC(C)[C@H](C#N)N1CC[NH+](C[C@](C)(O)C(F)(F)F)CC1 ZINC000619621037 349822529 /nfs/dbraw/zinc/82/25/29/349822529.db2.gz NRVIASZITGGULU-RYUDHWBXSA-N 1 2 293.333 1.465 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N1CCc2cc(C#N)ccc21 ZINC000597772168 343630799 /nfs/dbraw/zinc/63/07/99/343630799.db2.gz JPCPQKUQHKUEAK-UHFFFAOYSA-N 1 2 280.331 1.814 20 30 CDEDLO CC(=O)c1ccc(C#N)c(NCCC[NH+]2CCOCC2)c1 ZINC000273169177 192064130 /nfs/dbraw/zinc/06/41/30/192064130.db2.gz DPFIKEKPRZXEGJ-UHFFFAOYSA-N 1 2 287.363 1.895 20 30 CDEDLO C=CCCSCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000597970311 343687536 /nfs/dbraw/zinc/68/75/36/343687536.db2.gz NXHDKBXMGSCVPP-GFCCVEGCSA-N 1 2 279.409 1.871 20 30 CDEDLO C[C@H](NC(=O)c1cccc(CC#N)c1)c1[nH+]ccn1C ZINC000598460976 343805325 /nfs/dbraw/zinc/80/53/25/343805325.db2.gz YLOLYIDSLMHIFV-NSHDSACASA-N 1 2 268.320 1.977 20 30 CDEDLO Cc1onc(CC(=O)N[C@@H](C)c2[nH+]ccn2C)c1C#N ZINC000598464369 343806025 /nfs/dbraw/zinc/80/60/25/343806025.db2.gz JARYJGFDEURLKO-QMMMGPOBSA-N 1 2 273.296 1.008 20 30 CDEDLO CO[C@H](C)c1noc(C[N@H+](C)C[C@H](O)CC(C)(C)C#N)n1 ZINC000598591993 343838074 /nfs/dbraw/zinc/83/80/74/343838074.db2.gz DIMZVOVYVZCULJ-GHMZBOCLSA-N 1 2 296.371 1.510 20 30 CDEDLO CO[C@H](C)c1noc(C[N@@H+](C)C[C@H](O)CC(C)(C)C#N)n1 ZINC000598591993 343838076 /nfs/dbraw/zinc/83/80/76/343838076.db2.gz DIMZVOVYVZCULJ-GHMZBOCLSA-N 1 2 296.371 1.510 20 30 CDEDLO C[C@H](O)C[N@H+](CC(F)F)C[C@H](O)CC(C)(C)C#N ZINC000598622284 343845890 /nfs/dbraw/zinc/84/58/90/343845890.db2.gz ZZNQAZNMBXTREW-VHSXEESVSA-N 1 2 264.316 1.235 20 30 CDEDLO C[C@H](O)C[N@@H+](CC(F)F)C[C@H](O)CC(C)(C)C#N ZINC000598622284 343845892 /nfs/dbraw/zinc/84/58/92/343845892.db2.gz ZZNQAZNMBXTREW-VHSXEESVSA-N 1 2 264.316 1.235 20 30 CDEDLO CCOC(=O)c1cnn(Cc2cc[nH+]c(C)c2)c1C#N ZINC000598707665 343877963 /nfs/dbraw/zinc/87/79/63/343877963.db2.gz BJJYNVGXXRJEJT-UHFFFAOYSA-N 1 2 270.292 1.683 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1coc(-c2cccnc2)n1 ZINC000598837568 343915172 /nfs/dbraw/zinc/91/51/72/343915172.db2.gz WZRWKIOXVCBQGX-HNNXBMFYSA-N 1 2 299.334 1.310 20 30 CDEDLO CCC(C#N)(CC)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000598974092 343931966 /nfs/dbraw/zinc/93/19/66/343931966.db2.gz PMENXHMCECVYQB-AWEZNQCLSA-N 1 2 293.411 1.640 20 30 CDEDLO C[N@H+](CC1(C#N)CC1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000331921501 362346633 /nfs/dbraw/zinc/34/66/33/362346633.db2.gz FMGSNSAHQPHLFM-RYUDHWBXSA-N 1 2 270.398 1.578 20 30 CDEDLO C[N@@H+](CC1(C#N)CC1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000331921501 362346640 /nfs/dbraw/zinc/34/66/40/362346640.db2.gz FMGSNSAHQPHLFM-RYUDHWBXSA-N 1 2 270.398 1.578 20 30 CDEDLO C[N@H+](CC(=O)N=c1ccn(CCC#N)[nH]1)CC(C)(C)C ZINC000602102157 344334934 /nfs/dbraw/zinc/33/49/34/344334934.db2.gz LHFMWXJKULHINK-UHFFFAOYSA-N 1 2 277.372 1.135 20 30 CDEDLO C[N@@H+](CC(=O)N=c1ccn(CCC#N)[nH]1)CC(C)(C)C ZINC000602102157 344334936 /nfs/dbraw/zinc/33/49/36/344334936.db2.gz LHFMWXJKULHINK-UHFFFAOYSA-N 1 2 277.372 1.135 20 30 CDEDLO COC(=O)[C@@H]1CC[N@H+](C[C@H](C)CCC#N)[C@H](C(=O)OC)C1 ZINC000602601625 344506066 /nfs/dbraw/zinc/50/60/66/344506066.db2.gz AEDQEKREUYPZBZ-UPJWGTAASA-N 1 2 296.367 1.353 20 30 CDEDLO COC(=O)[C@@H]1CC[N@@H+](C[C@H](C)CCC#N)[C@H](C(=O)OC)C1 ZINC000602601625 344506068 /nfs/dbraw/zinc/50/60/68/344506068.db2.gz AEDQEKREUYPZBZ-UPJWGTAASA-N 1 2 296.367 1.353 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612136847 347053589 /nfs/dbraw/zinc/05/35/89/347053589.db2.gz LZQWINXMSJQKRF-DZGCQCFKSA-N 1 2 294.399 1.042 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612136847 347053591 /nfs/dbraw/zinc/05/35/91/347053591.db2.gz LZQWINXMSJQKRF-DZGCQCFKSA-N 1 2 294.399 1.042 20 30 CDEDLO CC[N@@H+](Cc1cnc2c(C#N)cnn2c1)C[C@@H](C)C#N ZINC000575401654 362455469 /nfs/dbraw/zinc/45/54/69/362455469.db2.gz FDCKVIDIWWLGCC-NSHDSACASA-N 1 2 268.324 1.583 20 30 CDEDLO CC[N@H+](Cc1cnc2c(C#N)cnn2c1)C[C@@H](C)C#N ZINC000575401654 362455476 /nfs/dbraw/zinc/45/54/76/362455476.db2.gz FDCKVIDIWWLGCC-NSHDSACASA-N 1 2 268.324 1.583 20 30 CDEDLO COc1ccccc1CN(C)C(=O)C[NH2+][C@@H](C)CC#N ZINC000602860721 344616713 /nfs/dbraw/zinc/61/67/13/344616713.db2.gz DQERUEINABEWDD-LBPRGKRZSA-N 1 2 275.352 1.545 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCCc1c(F)cccc1F ZINC000602861747 344617438 /nfs/dbraw/zinc/61/74/38/344617438.db2.gz IKKQEAXFRBOFQL-JTQLQIEISA-N 1 2 281.306 1.515 20 30 CDEDLO Cc1cc(NC(=O)N2CCN(CCC#N)CC2)c(C)c[nH+]1 ZINC000602921056 344650307 /nfs/dbraw/zinc/65/03/07/344650307.db2.gz AYFLLHXMPHJFKG-UHFFFAOYSA-N 1 2 287.367 1.184 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCCOc1cccc(Cl)c1 ZINC000602864254 344637510 /nfs/dbraw/zinc/63/75/10/344637510.db2.gz RORUJRPDPBVJJZ-LLVKDONJSA-N 1 2 295.770 1.727 20 30 CDEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000612166110 347067967 /nfs/dbraw/zinc/06/79/67/347067967.db2.gz POFYOIBWLNZKBP-INIZCTEOSA-N 1 2 282.347 1.820 20 30 CDEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000612166110 347067972 /nfs/dbraw/zinc/06/79/72/347067972.db2.gz POFYOIBWLNZKBP-INIZCTEOSA-N 1 2 282.347 1.820 20 30 CDEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)c2cccc3c[nH]nc32)C1 ZINC000329250054 530069996 /nfs/dbraw/zinc/06/99/96/530069996.db2.gz XLDROKUQZCKDQL-LBPRGKRZSA-N 1 2 287.367 1.113 20 30 CDEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)c2cccc3c[nH]nc32)C1 ZINC000329250054 530069997 /nfs/dbraw/zinc/06/99/97/530069997.db2.gz XLDROKUQZCKDQL-LBPRGKRZSA-N 1 2 287.367 1.113 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000526113756 362573647 /nfs/dbraw/zinc/57/36/47/362573647.db2.gz FYSZGDAWVZMTCV-ZFWWWQNUSA-N 1 2 284.400 1.052 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000526113756 362573654 /nfs/dbraw/zinc/57/36/54/362573654.db2.gz FYSZGDAWVZMTCV-ZFWWWQNUSA-N 1 2 284.400 1.052 20 30 CDEDLO C[N@@H+](Cc1ccon1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000265794726 362612171 /nfs/dbraw/zinc/61/21/71/362612171.db2.gz MVBCEDRFQMRWKJ-AWEZNQCLSA-N 1 2 287.319 1.418 20 30 CDEDLO C[N@H+](Cc1ccon1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000265794726 362612176 /nfs/dbraw/zinc/61/21/76/362612176.db2.gz MVBCEDRFQMRWKJ-AWEZNQCLSA-N 1 2 287.319 1.418 20 30 CDEDLO C=CC(C)(C)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619882936 349942912 /nfs/dbraw/zinc/94/29/12/349942912.db2.gz VJEOHGWEHUOTQD-UHFFFAOYSA-N 1 2 280.412 1.769 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)CC2(CCC2)O1 ZINC000584840273 346452619 /nfs/dbraw/zinc/45/26/19/346452619.db2.gz XKPZHOZPBYMRLZ-GFCCVEGCSA-N 1 2 297.362 1.744 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CC2(CCC2)O1 ZINC000584840273 346452623 /nfs/dbraw/zinc/45/26/23/346452623.db2.gz XKPZHOZPBYMRLZ-GFCCVEGCSA-N 1 2 297.362 1.744 20 30 CDEDLO C=CCOCCCC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449655701 362763802 /nfs/dbraw/zinc/76/38/02/362763802.db2.gz HNDVZZYEDVTEGT-LLVKDONJSA-N 1 2 276.327 1.330 20 30 CDEDLO C=CCC[C@@H]([NH2+]CC1(OC)CCOCC1)C(=O)OCC ZINC000449657723 362764203 /nfs/dbraw/zinc/76/42/03/362764203.db2.gz QLLFLRATYLDZSF-CYBMUJFWSA-N 1 2 285.384 1.670 20 30 CDEDLO CCCC[C@@H](C(=O)OC)[NH+]1CCN(CCC#N)CC1 ZINC000611173700 346627398 /nfs/dbraw/zinc/62/73/98/346627398.db2.gz HEHCQISGOPFWHN-ZDUSSCGKSA-N 1 2 267.373 1.249 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1ncc[nH]1 ZINC000611191195 346684366 /nfs/dbraw/zinc/68/43/66/346684366.db2.gz GORKBIBYDZBBQG-UHFFFAOYSA-N 1 2 286.335 1.801 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1ncc[nH]1 ZINC000611191195 346684370 /nfs/dbraw/zinc/68/43/70/346684370.db2.gz GORKBIBYDZBBQG-UHFFFAOYSA-N 1 2 286.335 1.801 20 30 CDEDLO N#Cc1cc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c[nH]1 ZINC000611472013 346795870 /nfs/dbraw/zinc/79/58/70/346795870.db2.gz CJIQZYLFRDGKIP-CYBMUJFWSA-N 1 2 269.308 1.560 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN(CC)[C@@H](C)C1 ZINC000677194295 482579579 /nfs/dbraw/zinc/57/95/79/482579579.db2.gz GUOFNARCCHQZPD-LSDHHAIUSA-N 1 2 279.428 1.602 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cnc3ccccc3n2)CC1 ZINC000068445349 347564150 /nfs/dbraw/zinc/56/41/50/347564150.db2.gz HBDOZEZHWWUQPB-UHFFFAOYSA-N 1 2 294.358 1.411 20 30 CDEDLO CN(Cc1[nH+]ccn1C)c1nc2c(cc1C#N)CCC2 ZINC000062255560 282590695 /nfs/dbraw/zinc/59/06/95/282590695.db2.gz MTHIUCBEHBIMJY-UHFFFAOYSA-N 1 2 267.336 1.812 20 30 CDEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615534597 348578175 /nfs/dbraw/zinc/57/81/75/348578175.db2.gz KVRANYBDKLUIKU-CYBMUJFWSA-N 1 2 266.385 1.522 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CNc1ccc(C#N)cc1 ZINC000064725017 348945663 /nfs/dbraw/zinc/94/56/63/348945663.db2.gz KSDRKTTXNQFLAW-LBPRGKRZSA-N 1 2 283.335 1.372 20 30 CDEDLO CO[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000602895736 350162126 /nfs/dbraw/zinc/16/21/26/350162126.db2.gz DESIJNFFIUXSHP-HNNXBMFYSA-N 1 2 289.335 1.192 20 30 CDEDLO CO[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000602895736 350162131 /nfs/dbraw/zinc/16/21/31/350162131.db2.gz DESIJNFFIUXSHP-HNNXBMFYSA-N 1 2 289.335 1.192 20 30 CDEDLO N#Cc1ccc(C(F)(F)F)n(CCn2cc[nH+]c2)c1=O ZINC000603376335 350267428 /nfs/dbraw/zinc/26/74/28/350267428.db2.gz HZTGPHXAFVOHME-UHFFFAOYSA-N 1 2 282.225 1.635 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc(F)cc1C#N ZINC000107037864 186155887 /nfs/dbraw/zinc/15/58/87/186155887.db2.gz KBYPZTSPPIBRRB-LLVKDONJSA-N 1 2 263.316 1.830 20 30 CDEDLO Cc1nc(SCC[NH+]2CCOCC2)ccc1C#N ZINC000291724705 198071253 /nfs/dbraw/zinc/07/12/53/198071253.db2.gz XALSKUOPEYMSGN-UHFFFAOYSA-N 1 2 263.366 1.686 20 30 CDEDLO CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292074501 198153775 /nfs/dbraw/zinc/15/37/75/198153775.db2.gz DADKYLXJQKSRJG-OLZOCXBDSA-N 1 2 289.335 1.358 20 30 CDEDLO CC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292074501 198153776 /nfs/dbraw/zinc/15/37/76/198153776.db2.gz DADKYLXJQKSRJG-OLZOCXBDSA-N 1 2 289.335 1.358 20 30 CDEDLO Cn1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292237402 198213597 /nfs/dbraw/zinc/21/35/97/198213597.db2.gz QAMOJTHKGIMATC-CQSZACIVSA-N 1 2 283.335 1.340 20 30 CDEDLO Cn1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292237402 198213599 /nfs/dbraw/zinc/21/35/99/198213599.db2.gz QAMOJTHKGIMATC-CQSZACIVSA-N 1 2 283.335 1.340 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000292257267 198220603 /nfs/dbraw/zinc/22/06/03/198220603.db2.gz PGIVPIZOPAXWDU-GFCCVEGCSA-N 1 2 278.377 1.425 20 30 CDEDLO CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000292257267 198220604 /nfs/dbraw/zinc/22/06/04/198220604.db2.gz PGIVPIZOPAXWDU-GFCCVEGCSA-N 1 2 278.377 1.425 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000295192377 199397856 /nfs/dbraw/zinc/39/78/56/199397856.db2.gz DGVNXMNRNUSZGB-LLVKDONJSA-N 1 2 283.397 1.709 20 30 CDEDLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cccc(C#N)c1F ZINC000342637350 356096818 /nfs/dbraw/zinc/09/68/18/356096818.db2.gz SIWALSRJFOOKQX-MGNBDDOMSA-N 1 2 268.357 1.896 20 30 CDEDLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000342637350 356096822 /nfs/dbraw/zinc/09/68/22/356096822.db2.gz SIWALSRJFOOKQX-MGNBDDOMSA-N 1 2 268.357 1.896 20 30 CDEDLO Cc1cc(C[N@@H+]2CCNC(=O)C2(C)C)ccc1C#N ZINC000336302942 356135235 /nfs/dbraw/zinc/13/52/35/356135235.db2.gz KAHUQOVZCJKISW-UHFFFAOYSA-N 1 2 257.337 1.577 20 30 CDEDLO Cc1cc(C[N@H+]2CCNC(=O)C2(C)C)ccc1C#N ZINC000336302942 356135239 /nfs/dbraw/zinc/13/52/39/356135239.db2.gz KAHUQOVZCJKISW-UHFFFAOYSA-N 1 2 257.337 1.577 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2cc(C#N)cs2)CC[S@]1=O ZINC000336607222 356218769 /nfs/dbraw/zinc/21/87/69/356218769.db2.gz GWTQZYNPAHRGFY-DYZYQPBXSA-N 1 2 268.407 1.963 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2cc(C#N)cs2)CC[S@]1=O ZINC000336607222 356218771 /nfs/dbraw/zinc/21/87/71/356218771.db2.gz GWTQZYNPAHRGFY-DYZYQPBXSA-N 1 2 268.407 1.963 20 30 CDEDLO C=CCn1c(C)nnc1SCC[N@@H+]1CCO[C@H](C)C1 ZINC000188229454 356361134 /nfs/dbraw/zinc/36/11/34/356361134.db2.gz FRCOSMGTDZZQBX-LLVKDONJSA-N 1 2 282.413 1.585 20 30 CDEDLO C=CCn1c(C)nnc1SCC[N@H+]1CCO[C@H](C)C1 ZINC000188229454 356361138 /nfs/dbraw/zinc/36/11/38/356361138.db2.gz FRCOSMGTDZZQBX-LLVKDONJSA-N 1 2 282.413 1.585 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000165446161 356915065 /nfs/dbraw/zinc/91/50/65/356915065.db2.gz ZXSWWFDCJVIJTL-CQSZACIVSA-N 1 2 278.377 1.486 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000165446161 356915067 /nfs/dbraw/zinc/91/50/67/356915067.db2.gz ZXSWWFDCJVIJTL-CQSZACIVSA-N 1 2 278.377 1.486 20 30 CDEDLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000185113322 357510924 /nfs/dbraw/zinc/51/09/24/357510924.db2.gz BUDHSGGJEWIDKM-ZRNGKTOUSA-N 1 2 299.421 1.257 20 30 CDEDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000185113322 357510928 /nfs/dbraw/zinc/51/09/28/357510928.db2.gz BUDHSGGJEWIDKM-ZRNGKTOUSA-N 1 2 299.421 1.257 20 30 CDEDLO C[C@H](c1nnnn1C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000188619527 357918764 /nfs/dbraw/zinc/91/87/64/357918764.db2.gz RZEUVODSZFUAJX-SNVBAGLBSA-N 1 2 256.313 1.275 20 30 CDEDLO C[C@H](c1nnnn1C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000188619527 357918767 /nfs/dbraw/zinc/91/87/67/357918767.db2.gz RZEUVODSZFUAJX-SNVBAGLBSA-N 1 2 256.313 1.275 20 30 CDEDLO Cn1cnnc1C[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000286938384 358038736 /nfs/dbraw/zinc/03/87/36/358038736.db2.gz LQYXJEDELBUIBR-UHFFFAOYSA-N 1 2 298.350 1.147 20 30 CDEDLO Cn1cnnc1C[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000286938384 358038739 /nfs/dbraw/zinc/03/87/39/358038739.db2.gz LQYXJEDELBUIBR-UHFFFAOYSA-N 1 2 298.350 1.147 20 30 CDEDLO N#Cc1cnn2cc(C[N@H+]3CCC[C@H](F)C3)cnc12 ZINC000566567776 358110088 /nfs/dbraw/zinc/11/00/88/358110088.db2.gz WXDFHMGOTOZAQZ-LBPRGKRZSA-N 1 2 259.288 1.535 20 30 CDEDLO N#Cc1cnn2cc(C[N@@H+]3CCC[C@H](F)C3)cnc12 ZINC000566567776 358110092 /nfs/dbraw/zinc/11/00/92/358110092.db2.gz WXDFHMGOTOZAQZ-LBPRGKRZSA-N 1 2 259.288 1.535 20 30 CDEDLO CCc1nn(Cc2cc[nH+]c(N)c2)c(=O)c(C#N)c1CC ZINC000193089727 358263238 /nfs/dbraw/zinc/26/32/38/358263238.db2.gz YRQGRBFZQDINSW-UHFFFAOYSA-N 1 2 283.335 1.265 20 30 CDEDLO C#CCSCC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000294800117 199189262 /nfs/dbraw/zinc/18/92/62/199189262.db2.gz OXWGOUCDMUWMTI-NSHDSACASA-N 1 2 278.406 1.912 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)/C=C/c1[nH+]ccn1CC ZINC000493482490 366401416 /nfs/dbraw/zinc/40/14/16/366401416.db2.gz JDJVFKLPSNNKOO-NAISLTENSA-N 1 2 275.352 1.766 20 30 CDEDLO C=CCCn1cc(C(=O)Nc2cc(N(C)C)cc[nH+]2)nn1 ZINC000644703422 366388492 /nfs/dbraw/zinc/38/84/92/366388492.db2.gz JTIXAMMOVAWKQE-UHFFFAOYSA-N 1 2 286.339 1.568 20 30 CDEDLO CCN(CCC#N)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000531229934 358603326 /nfs/dbraw/zinc/60/33/26/358603326.db2.gz OMLGEVDGERQOCC-UHFFFAOYSA-N 1 2 270.296 1.038 20 30 CDEDLO COc1cccc(NC(=O)C[NH+]2CCC(C#N)CC2)c1 ZINC000057907568 359121306 /nfs/dbraw/zinc/12/13/06/359121306.db2.gz GPAOBYKVKXUYPH-UHFFFAOYSA-N 1 2 273.336 1.869 20 30 CDEDLO C=CCCCCNc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000274810851 359520907 /nfs/dbraw/zinc/52/09/07/359520907.db2.gz XWJCXRQMSJSRKW-UHFFFAOYSA-N 1 2 289.383 1.523 20 30 CDEDLO C=CCCCCNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000274810851 359520911 /nfs/dbraw/zinc/52/09/11/359520911.db2.gz XWJCXRQMSJSRKW-UHFFFAOYSA-N 1 2 289.383 1.523 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000276906434 359552090 /nfs/dbraw/zinc/55/20/90/359552090.db2.gz FBELYGGCTDIOFV-UHFFFAOYSA-N 1 2 294.376 1.655 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000276906434 359552092 /nfs/dbraw/zinc/55/20/92/359552092.db2.gz FBELYGGCTDIOFV-UHFFFAOYSA-N 1 2 294.376 1.655 20 30 CDEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@](C)(O)C2)c(C#N)c1C ZINC000408348105 359675193 /nfs/dbraw/zinc/67/51/93/359675193.db2.gz ZBMNGHIFPFFSKG-BMIGLBTASA-N 1 2 291.351 1.552 20 30 CDEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@](C)(O)C2)c(C#N)c1C ZINC000408348105 359675198 /nfs/dbraw/zinc/67/51/98/359675198.db2.gz ZBMNGHIFPFFSKG-BMIGLBTASA-N 1 2 291.351 1.552 20 30 CDEDLO C=CCN(C(=O)NCc1c[nH+]ccc1OC)C1CC1 ZINC000297594083 200236829 /nfs/dbraw/zinc/23/68/29/200236829.db2.gz DFSXOXCOFKOOGZ-UHFFFAOYSA-N 1 2 261.325 1.950 20 30 CDEDLO N#Cc1ccnc(N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000019442524 360017347 /nfs/dbraw/zinc/01/73/47/360017347.db2.gz AUMVGJWDXMUHPM-UHFFFAOYSA-N 1 2 265.320 1.675 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@@H](CC)C1 ZINC000045752121 360030930 /nfs/dbraw/zinc/03/09/30/360030930.db2.gz ZPTBVXQFNUJASX-ZDUSSCGKSA-N 1 2 252.358 1.298 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@@H](CC)C1 ZINC000045752121 360030931 /nfs/dbraw/zinc/03/09/31/360030931.db2.gz ZPTBVXQFNUJASX-ZDUSSCGKSA-N 1 2 252.358 1.298 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)c2ncc(C)o2)C1=O ZINC000337239931 360042135 /nfs/dbraw/zinc/04/21/35/360042135.db2.gz ZZFDORFHDBWQBR-NWDGAFQWSA-N 1 2 263.341 1.763 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)c2ncc(C)o2)C1=O ZINC000337239931 360042137 /nfs/dbraw/zinc/04/21/37/360042137.db2.gz ZZFDORFHDBWQBR-NWDGAFQWSA-N 1 2 263.341 1.763 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000337648764 360313492 /nfs/dbraw/zinc/31/34/92/360313492.db2.gz JZVXCNGUWVROOW-DZGCQCFKSA-N 1 2 289.379 1.536 20 30 CDEDLO N#CC1(NC(=O)C2CC[NH+](CC(F)F)CC2)CC1 ZINC000537220420 360313819 /nfs/dbraw/zinc/31/38/19/360313819.db2.gz NISMABQFYYQVLD-UHFFFAOYSA-N 1 2 257.284 1.136 20 30 CDEDLO N#CCC[C@H](C#N)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000426244723 360651562 /nfs/dbraw/zinc/65/15/62/360651562.db2.gz JNECHKJTDCGZQZ-SNVBAGLBSA-N 1 2 257.284 1.522 20 30 CDEDLO C=CCCn1cc(C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)nn1 ZINC000425283273 360619504 /nfs/dbraw/zinc/61/95/04/360619504.db2.gz ORUJHXGILLULNP-GFCCVEGCSA-N 1 2 288.355 1.704 20 30 CDEDLO CN(C[C@H]1CCCOC1)C(=O)NCc1[nH+]ccn1C ZINC000329320529 360948090 /nfs/dbraw/zinc/94/80/90/360948090.db2.gz RHBVSDCMVCEWAA-LLVKDONJSA-N 1 2 266.345 1.193 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000051315819 360960434 /nfs/dbraw/zinc/96/04/34/360960434.db2.gz KRGFICWOFSJMFL-UHFFFAOYSA-N 1 2 288.307 1.378 20 30 CDEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000349921736 360963202 /nfs/dbraw/zinc/96/32/02/360963202.db2.gz ORDRPXSJPHRPNE-CYBMUJFWSA-N 1 2 279.303 1.280 20 30 CDEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000349921736 360963210 /nfs/dbraw/zinc/96/32/10/360963210.db2.gz ORDRPXSJPHRPNE-CYBMUJFWSA-N 1 2 279.303 1.280 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)Cc1cnc(N2CCOCC2)s1 ZINC000132267207 361215032 /nfs/dbraw/zinc/21/50/32/361215032.db2.gz YZOBTUCKKWHNHR-LLVKDONJSA-N 1 2 280.397 1.714 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)Cc1cnc(N2CCOCC2)s1 ZINC000132267207 361215039 /nfs/dbraw/zinc/21/50/39/361215039.db2.gz YZOBTUCKKWHNHR-LLVKDONJSA-N 1 2 280.397 1.714 20 30 CDEDLO C[N@H+](CC(=O)NCC(F)(F)F)CC(C)(C)C#N ZINC000433310181 361231486 /nfs/dbraw/zinc/23/14/86/361231486.db2.gz GXCPTXIGWKNQKO-UHFFFAOYSA-N 1 2 251.252 1.146 20 30 CDEDLO C[N@@H+](CC(=O)NCC(F)(F)F)CC(C)(C)C#N ZINC000433310181 361231489 /nfs/dbraw/zinc/23/14/89/361231489.db2.gz GXCPTXIGWKNQKO-UHFFFAOYSA-N 1 2 251.252 1.146 20 30 CDEDLO C[C@H](C#N)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000434374296 361323308 /nfs/dbraw/zinc/32/33/08/361323308.db2.gz PQUACVRUNWDIPS-CYBMUJFWSA-N 1 2 282.347 1.902 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](O)CC1 ZINC000293350648 291276813 /nfs/dbraw/zinc/27/68/13/291276813.db2.gz ZHXNRTULAYPWSJ-LSDHHAIUSA-N 1 2 288.347 1.619 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](O)CC1 ZINC000293350648 291276815 /nfs/dbraw/zinc/27/68/15/291276815.db2.gz ZHXNRTULAYPWSJ-LSDHHAIUSA-N 1 2 288.347 1.619 20 30 CDEDLO CN(C)c1ccc(CNC(=O)Cc2ccc(C#N)cc2)c[nH+]1 ZINC000345670694 361526204 /nfs/dbraw/zinc/52/62/04/361526204.db2.gz VWWITJHYCYYIDM-UHFFFAOYSA-N 1 2 294.358 1.878 20 30 CDEDLO C[C@@H]1NC(=O)CC[C@@H]1[NH+]=C([O-])N1CCn2c[nH+]cc2C1 ZINC000329664678 361676084 /nfs/dbraw/zinc/67/60/84/361676084.db2.gz POBIREZFGVKCQT-ONGXEEELSA-N 1 2 277.328 1.120 20 30 CDEDLO C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000329664678 361676087 /nfs/dbraw/zinc/67/60/87/361676087.db2.gz POBIREZFGVKCQT-ONGXEEELSA-N 1 2 277.328 1.120 20 30 CDEDLO Cc1noc(C)c1C[NH+]1CCN(c2ccnc(C#N)n2)CC1 ZINC000581637844 364006892 /nfs/dbraw/zinc/00/68/92/364006892.db2.gz QSKSNKKVTKTCHN-UHFFFAOYSA-N 1 2 298.350 1.275 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1ccc(C)cc1 ZINC000566428292 370718176 /nfs/dbraw/zinc/71/81/76/370718176.db2.gz DDTZAWHDFDXNLU-CQSZACIVSA-N 1 2 259.353 1.893 20 30 CDEDLO C[C@H](NC(=O)c1cccc(C#N)c1)[C@H](C)[NH+]1CCOCC1 ZINC000264194975 364467555 /nfs/dbraw/zinc/46/75/55/364467555.db2.gz CTAKXQOTTXMJFA-STQMWFEESA-N 1 2 287.363 1.397 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2nc(-c3ccco3)no2)nn1 ZINC000640934827 364751097 /nfs/dbraw/zinc/75/10/97/364751097.db2.gz FIUXKJWFEGXARR-UHFFFAOYSA-N 1 2 298.306 1.082 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cc(F)ccc2C)nn1 ZINC000640944725 364768139 /nfs/dbraw/zinc/76/81/39/364768139.db2.gz PKCGBKXWBGRZQU-UHFFFAOYSA-N 1 2 272.327 1.887 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@H](C)O1 ZINC000111277240 364952202 /nfs/dbraw/zinc/95/22/02/364952202.db2.gz WXVVAESDRLURNF-GUTXKFCHSA-N 1 2 281.400 1.540 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@H](C)O1 ZINC000111277240 364952205 /nfs/dbraw/zinc/95/22/05/364952205.db2.gz WXVVAESDRLURNF-GUTXKFCHSA-N 1 2 281.400 1.540 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CC2CCC(=O)CC2)nn1 ZINC000641099389 365053234 /nfs/dbraw/zinc/05/32/34/365053234.db2.gz YIOYDWVUUXJWFY-UHFFFAOYSA-N 1 2 260.341 1.150 20 30 CDEDLO CN(C(=O)c1ccc(C#N)[nH]1)C(C)(C)C[NH+]1CCOCC1 ZINC000414043627 241040276 /nfs/dbraw/zinc/04/02/76/241040276.db2.gz QUTGKRBPAHKRLN-UHFFFAOYSA-N 1 2 290.367 1.069 20 30 CDEDLO C#CC[N@@H+](CCc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000066538612 368354752 /nfs/dbraw/zinc/35/47/52/368354752.db2.gz XGVYFAGTCVEHFM-HNNXBMFYSA-N 1 2 277.389 1.351 20 30 CDEDLO C#CC[N@H+](CCc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000066538612 368354754 /nfs/dbraw/zinc/35/47/54/368354754.db2.gz XGVYFAGTCVEHFM-HNNXBMFYSA-N 1 2 277.389 1.351 20 30 CDEDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000026194846 369182658 /nfs/dbraw/zinc/18/26/58/369182658.db2.gz ICPXBMHNEBFECX-WFASDCNBSA-N 1 2 287.363 1.996 20 30 CDEDLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000026194846 369182663 /nfs/dbraw/zinc/18/26/63/369182663.db2.gz ICPXBMHNEBFECX-WFASDCNBSA-N 1 2 287.363 1.996 20 30 CDEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)CO ZINC000293304778 370586602 /nfs/dbraw/zinc/58/66/02/370586602.db2.gz DZIQKBVQPDPAIY-LBPRGKRZSA-N 1 2 296.392 1.035 20 30 CDEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)CO ZINC000293304778 370586608 /nfs/dbraw/zinc/58/66/08/370586608.db2.gz DZIQKBVQPDPAIY-LBPRGKRZSA-N 1 2 296.392 1.035 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)NCC#Cc1ccccc1 ZINC000569154325 371239510 /nfs/dbraw/zinc/23/95/10/371239510.db2.gz CGKDGSGRKFCLMC-UHFFFAOYSA-N 1 2 253.305 1.131 20 30 CDEDLO Cc1cc(C[NH2+]C[C@@H](C#N)CCC#N)nc(N2CCCC2)n1 ZINC000578713258 372543540 /nfs/dbraw/zinc/54/35/40/372543540.db2.gz AIZWEDMNCCANDZ-CQSZACIVSA-N 1 2 298.394 1.918 20 30 CDEDLO COC(=O)c1cccc(C[NH2+][C@H](C)c2cnn(C)c2)c1C#N ZINC000543505297 372783574 /nfs/dbraw/zinc/78/35/74/372783574.db2.gz PFYQPGWIUXCCNC-LLVKDONJSA-N 1 2 298.346 1.929 20 30 CDEDLO N#Cc1csc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1 ZINC000348571893 373295994 /nfs/dbraw/zinc/29/59/94/373295994.db2.gz DBSFLDPJRKPEMA-KBPBESRZSA-N 1 2 278.377 2.000 20 30 CDEDLO N#Cc1csc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1 ZINC000348571893 373295999 /nfs/dbraw/zinc/29/59/99/373295999.db2.gz DBSFLDPJRKPEMA-KBPBESRZSA-N 1 2 278.377 2.000 20 30 CDEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1nccs1 ZINC000191089865 373441968 /nfs/dbraw/zinc/44/19/68/373441968.db2.gz ZXBCFOFNFDJELR-SNVBAGLBSA-N 1 2 269.370 1.605 20 30 CDEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1nccs1 ZINC000191089865 373441978 /nfs/dbraw/zinc/44/19/78/373441978.db2.gz ZXBCFOFNFDJELR-SNVBAGLBSA-N 1 2 269.370 1.605 20 30 CDEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1nnc(C(C)C)s1 ZINC000191131725 373452364 /nfs/dbraw/zinc/45/23/64/373452364.db2.gz PWVQVAWQHMJPNR-UHFFFAOYSA-N 1 2 298.412 1.734 20 30 CDEDLO C=CC[N@H+](CCOC)CC(=O)Nc1nnc(C(C)C)s1 ZINC000191131725 373452371 /nfs/dbraw/zinc/45/23/71/373452371.db2.gz PWVQVAWQHMJPNR-UHFFFAOYSA-N 1 2 298.412 1.734 20 30 CDEDLO C#CCCCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000192137748 373590170 /nfs/dbraw/zinc/59/01/70/373590170.db2.gz AIKAQHJAZQFCHJ-CQSZACIVSA-N 1 2 264.369 1.113 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1F ZINC000192192550 373592576 /nfs/dbraw/zinc/59/25/76/373592576.db2.gz AOIJHEUELRHKPR-HNNXBMFYSA-N 1 2 276.311 1.689 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)cc1F ZINC000192192550 373592583 /nfs/dbraw/zinc/59/25/83/373592583.db2.gz AOIJHEUELRHKPR-HNNXBMFYSA-N 1 2 276.311 1.689 20 30 CDEDLO CC(C)(C(=O)NCC(=O)c1ccc(C#N)cc1)c1c[nH]c[nH+]1 ZINC000356238095 373834369 /nfs/dbraw/zinc/83/43/69/373834369.db2.gz SLCYNZUHHPMQLT-UHFFFAOYSA-N 1 2 296.330 1.558 20 30 CDEDLO Cc1ccc(NC(=O)c2cnn(C)c2C#N)c(C)[nH+]1 ZINC000356340434 373841246 /nfs/dbraw/zinc/84/12/46/373841246.db2.gz ARPQHRWZUUQNJB-UHFFFAOYSA-N 1 2 255.281 1.556 20 30 CDEDLO Cn1c[nH+]cc1C[S@](=O)Cc1ccc(CC#N)cc1 ZINC000342253299 374011197 /nfs/dbraw/zinc/01/11/97/374011197.db2.gz VMNILBSNDUXNJJ-LJQANCHMSA-N 1 2 273.361 1.935 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000375946971 374525787 /nfs/dbraw/zinc/52/57/87/374525787.db2.gz JMRZPEBOCYAGTJ-YUNKPMOVSA-N 1 2 292.404 1.767 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000375946971 374525794 /nfs/dbraw/zinc/52/57/94/374525794.db2.gz JMRZPEBOCYAGTJ-YUNKPMOVSA-N 1 2 292.404 1.767 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000069866361 374622039 /nfs/dbraw/zinc/62/20/39/374622039.db2.gz PNYPGIMKSAFELK-LBPRGKRZSA-N 1 2 296.392 1.302 20 30 CDEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000069866361 374622046 /nfs/dbraw/zinc/62/20/46/374622046.db2.gz PNYPGIMKSAFELK-LBPRGKRZSA-N 1 2 296.392 1.302 20 30 CDEDLO C[C@H]1COC(C)(C)C[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000331112414 374890861 /nfs/dbraw/zinc/89/08/61/374890861.db2.gz CDGYURTZRYCGOO-LBPRGKRZSA-N 1 2 287.363 1.996 20 30 CDEDLO C[C@H]1COC(C)(C)C[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000331112414 374890866 /nfs/dbraw/zinc/89/08/66/374890866.db2.gz CDGYURTZRYCGOO-LBPRGKRZSA-N 1 2 287.363 1.996 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000280654320 375009995 /nfs/dbraw/zinc/00/99/95/375009995.db2.gz WOOUUXTYLWTJAM-UHFFFAOYSA-N 1 2 284.319 1.851 20 30 CDEDLO Cc1cc(N2CCC(N3CCNC3=O)CC2)c(C#N)c[nH+]1 ZINC000333480822 375083480 /nfs/dbraw/zinc/08/34/80/375083480.db2.gz PHVLBOXFDDAUOW-UHFFFAOYSA-N 1 2 285.351 1.256 20 30 CDEDLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000282117769 375065184 /nfs/dbraw/zinc/06/51/84/375065184.db2.gz JJLMNPHSFRVZJS-CYBMUJFWSA-N 1 2 264.350 1.177 20 30 CDEDLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000282117769 375065189 /nfs/dbraw/zinc/06/51/89/375065189.db2.gz JJLMNPHSFRVZJS-CYBMUJFWSA-N 1 2 264.350 1.177 20 30 CDEDLO Cc1ccoc1C(=O)NCCCNc1cc(C)[nH+]cc1C#N ZINC000425227353 246725983 /nfs/dbraw/zinc/72/59/83/246725983.db2.gz JCUDSWKDSMZJMI-UHFFFAOYSA-N 1 2 298.346 1.817 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000131587835 375431540 /nfs/dbraw/zinc/43/15/40/375431540.db2.gz ZTWORNKULWWTLL-GFCCVEGCSA-N 1 2 289.217 1.549 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000131587835 375431544 /nfs/dbraw/zinc/43/15/44/375431544.db2.gz ZTWORNKULWWTLL-GFCCVEGCSA-N 1 2 289.217 1.549 20 30 CDEDLO C#CCCOc1ccc(C[N@@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000123476404 375839100 /nfs/dbraw/zinc/83/91/00/375839100.db2.gz XOXAEMUDFXTBRU-CYBMUJFWSA-N 1 2 272.348 1.409 20 30 CDEDLO C#CCCOc1ccc(C[N@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000123476404 375839107 /nfs/dbraw/zinc/83/91/07/375839107.db2.gz XOXAEMUDFXTBRU-CYBMUJFWSA-N 1 2 272.348 1.409 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2c2ncc[nH]2)C1=O ZINC000328815470 375963592 /nfs/dbraw/zinc/96/35/92/375963592.db2.gz NQGZAPIRHIOBSN-NEPJUHHUSA-N 1 2 260.341 1.334 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2c2ncc[nH]2)C1=O ZINC000328815470 375963598 /nfs/dbraw/zinc/96/35/98/375963598.db2.gz NQGZAPIRHIOBSN-NEPJUHHUSA-N 1 2 260.341 1.334 20 30 CDEDLO C=CCN1CC[C@H](N2CCC[C@@H]2c2[nH]cc[nH+]2)C1=O ZINC000328815470 375963605 /nfs/dbraw/zinc/96/36/05/375963605.db2.gz NQGZAPIRHIOBSN-NEPJUHHUSA-N 1 2 260.341 1.334 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328756041 375946394 /nfs/dbraw/zinc/94/63/94/375946394.db2.gz TXMYQNFMPKEELN-JTQLQIEISA-N 1 2 291.355 1.465 20 30 CDEDLO C[C@@H]1C[C@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)CCC1=O ZINC000328940122 376013730 /nfs/dbraw/zinc/01/37/30/376013730.db2.gz HLKPEEWFHBLHAY-UTUOFQBUSA-N 1 2 268.357 1.279 20 30 CDEDLO C[C@@H]1C[C@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)CCC1=O ZINC000328940122 376013735 /nfs/dbraw/zinc/01/37/35/376013735.db2.gz HLKPEEWFHBLHAY-UTUOFQBUSA-N 1 2 268.357 1.279 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000032514635 377053822 /nfs/dbraw/zinc/05/38/22/377053822.db2.gz NPTMBDWMOJZIKV-AWEZNQCLSA-N 1 2 284.363 1.958 20 30 CDEDLO CCc1nc(C)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)o1 ZINC000571807079 377542621 /nfs/dbraw/zinc/54/26/21/377542621.db2.gz UIUJPJVSQPHQOH-CYBMUJFWSA-N 1 2 264.329 1.119 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000572091889 377689220 /nfs/dbraw/zinc/68/92/20/377689220.db2.gz BWEWQCQIDNJJGC-MNOVXSKESA-N 1 2 261.325 1.749 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000282760778 378071208 /nfs/dbraw/zinc/07/12/08/378071208.db2.gz OVAWZZZWLFQBFP-OAHLLOKOSA-N 1 2 293.388 1.318 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000282760778 378071213 /nfs/dbraw/zinc/07/12/13/378071213.db2.gz OVAWZZZWLFQBFP-OAHLLOKOSA-N 1 2 293.388 1.318 20 30 CDEDLO CC#CC[C@H](CO)Nc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000645403497 378135630 /nfs/dbraw/zinc/13/56/30/378135630.db2.gz BZSCFBZCVKBKBD-OAHLLOKOSA-N 1 2 296.374 1.709 20 30 CDEDLO C=C[C@H](CO)NC(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000290682982 378402771 /nfs/dbraw/zinc/40/27/71/378402771.db2.gz UFXHNTJZVXNAHP-LLVKDONJSA-N 1 2 273.336 1.262 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ocnc2C2CC2)CC1 ZINC000290224444 378369080 /nfs/dbraw/zinc/36/90/80/378369080.db2.gz FGVXATYGMXYXPC-UHFFFAOYSA-N 1 2 273.336 1.333 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1OC ZINC000097056667 378481772 /nfs/dbraw/zinc/48/17/72/378481772.db2.gz NBULPABYODXSFQ-GFCCVEGCSA-N 1 2 260.337 1.265 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1OC ZINC000097056667 378481775 /nfs/dbraw/zinc/48/17/75/378481775.db2.gz NBULPABYODXSFQ-GFCCVEGCSA-N 1 2 260.337 1.265 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1conc1CC ZINC000293520091 378580056 /nfs/dbraw/zinc/58/00/56/378580056.db2.gz VXJLMNOGHQGPAR-SNVBAGLBSA-N 1 2 294.355 1.069 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1conc1CC ZINC000293520091 378580061 /nfs/dbraw/zinc/58/00/61/378580061.db2.gz VXJLMNOGHQGPAR-SNVBAGLBSA-N 1 2 294.355 1.069 20 30 CDEDLO C=CCC(C)(C)CNC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000293732501 378587251 /nfs/dbraw/zinc/58/72/51/378587251.db2.gz HXQLDTSHJRBYPA-ZDUSSCGKSA-N 1 2 278.400 1.741 20 30 CDEDLO C#Cc1ccccc1CC(=O)NCc1[nH+]ccn1CC ZINC000295796620 378698232 /nfs/dbraw/zinc/69/82/32/378698232.db2.gz ZQCKMHFTBRWOGR-UHFFFAOYSA-N 1 2 267.332 1.743 20 30 CDEDLO Cc1c(Cl)cnc(NCC[N@@H+]2CCO[C@@H](C)C2)c1C#N ZINC000544068233 378936490 /nfs/dbraw/zinc/93/64/90/378936490.db2.gz HSFNMULNEGSALN-JTQLQIEISA-N 1 2 294.786 1.470 20 30 CDEDLO Cc1c(Cl)cnc(NCC[N@H+]2CCO[C@@H](C)C2)c1C#N ZINC000544068233 378936497 /nfs/dbraw/zinc/93/64/97/378936497.db2.gz HSFNMULNEGSALN-JTQLQIEISA-N 1 2 294.786 1.470 20 30 CDEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccc(C)[nH+]c1C)C(C)(C)C ZINC000288389206 197065397 /nfs/dbraw/zinc/06/53/97/197065397.db2.gz LKSXQMVOGFXLCV-CYBMUJFWSA-N 1 2 287.363 1.801 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](CCC)CC(=O)OC(C)(C)C)C1=O ZINC000281360998 195211773 /nfs/dbraw/zinc/21/17/73/195211773.db2.gz NVPQZPYCMPNEKP-CYBMUJFWSA-N 1 2 296.411 1.827 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](CCC)CC(=O)OC(C)(C)C)C1=O ZINC000281360998 195211775 /nfs/dbraw/zinc/21/17/75/195211775.db2.gz NVPQZPYCMPNEKP-CYBMUJFWSA-N 1 2 296.411 1.827 20 30 CDEDLO Cn1nccc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000126940165 390186357 /nfs/dbraw/zinc/18/63/57/390186357.db2.gz CUYKRVYXNHBSEU-UHFFFAOYSA-N 1 2 281.363 1.614 20 30 CDEDLO COc1cc[nH+]cc1NC(=O)C1(C#N)CCOCC1 ZINC000109141836 390631491 /nfs/dbraw/zinc/63/14/91/390631491.db2.gz USWBROKCFWRFLW-UHFFFAOYSA-N 1 2 261.281 1.349 20 30 CDEDLO Cc1ccc(N2CCC[C@@H](O[NH+]=C(N)CCO)C2=O)cc1 ZINC000121381113 390885168 /nfs/dbraw/zinc/88/51/68/390885168.db2.gz BMAUUICNDYFVGG-CYBMUJFWSA-N 1 2 291.351 1.162 20 30 CDEDLO NC(CCO)=[NH+]OCc1ccc(OC(F)(F)F)cc1 ZINC000121405447 390885681 /nfs/dbraw/zinc/88/56/81/390885681.db2.gz BAQVDOLTZGBJOL-UHFFFAOYSA-N 1 2 278.230 1.756 20 30 CDEDLO CC(=O)Nc1ccccc1C[NH+]1CCN(CC#N)CC1 ZINC000092936479 390898534 /nfs/dbraw/zinc/89/85/34/390898534.db2.gz HRTORYMMSYATBR-UHFFFAOYSA-N 1 2 272.352 1.286 20 30 CDEDLO C=CCOCC[N@@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000293437061 391028388 /nfs/dbraw/zinc/02/83/88/391028388.db2.gz JQFUNDCFFLODLR-UHFFFAOYSA-N 1 2 272.352 1.902 20 30 CDEDLO C=CCOCC[N@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000293437061 391028405 /nfs/dbraw/zinc/02/84/05/391028405.db2.gz JQFUNDCFFLODLR-UHFFFAOYSA-N 1 2 272.352 1.902 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000491392459 391105197 /nfs/dbraw/zinc/10/51/97/391105197.db2.gz CCTPDXIITZEFLB-LLVKDONJSA-N 1 2 251.351 1.544 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000491392459 391105200 /nfs/dbraw/zinc/10/52/00/391105200.db2.gz CCTPDXIITZEFLB-LLVKDONJSA-N 1 2 251.351 1.544 20 30 CDEDLO C[C@@]1(CNC(=O)N2CCn3c[nH+]cc3C2)CCOC1 ZINC000329649784 391063910 /nfs/dbraw/zinc/06/39/10/391063910.db2.gz JRUGMTLATOFBAO-ZDUSSCGKSA-N 1 2 264.329 1.039 20 30 CDEDLO C[C@@]1(C[NH+]=C([O-])N2CCn3c[nH+]cc3C2)CCOC1 ZINC000329649784 391063914 /nfs/dbraw/zinc/06/39/14/391063914.db2.gz JRUGMTLATOFBAO-ZDUSSCGKSA-N 1 2 264.329 1.039 20 30 CDEDLO Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(F)(C#N)CC2)n1 ZINC000352451949 391142191 /nfs/dbraw/zinc/14/21/91/391142191.db2.gz ZIBYLXQXIMIPJA-JTQLQIEISA-N 1 2 264.304 1.879 20 30 CDEDLO C#C[C@@H](NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)C(C)C ZINC000374105581 391147428 /nfs/dbraw/zinc/14/74/28/391147428.db2.gz HMVBPICNZDROKK-CABCVRRESA-N 1 2 278.396 1.261 20 30 CDEDLO C#C[C@@H](NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)C(C)C ZINC000374105581 391147432 /nfs/dbraw/zinc/14/74/32/391147432.db2.gz HMVBPICNZDROKK-CABCVRRESA-N 1 2 278.396 1.261 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338622413 391216190 /nfs/dbraw/zinc/21/61/90/391216190.db2.gz CKZVSKKOENCXCS-TZMCWYRMSA-N 1 2 297.374 1.124 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@](F)(CO)C1 ZINC000338622413 391216192 /nfs/dbraw/zinc/21/61/92/391216192.db2.gz CKZVSKKOENCXCS-TZMCWYRMSA-N 1 2 297.374 1.124 20 30 CDEDLO C=C(Cl)CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376353536 391224593 /nfs/dbraw/zinc/22/45/93/391224593.db2.gz RILFKUSAXOAJPN-NWDGAFQWSA-N 1 2 287.791 1.244 20 30 CDEDLO C=CCOCC[N@@H+]([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000338996874 391239161 /nfs/dbraw/zinc/23/91/61/391239161.db2.gz JTDPINCDEIVWIF-NSHDSACASA-N 1 2 261.387 1.087 20 30 CDEDLO C=CCOCC[N@H+]([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000338996874 391239168 /nfs/dbraw/zinc/23/91/68/391239168.db2.gz JTDPINCDEIVWIF-NSHDSACASA-N 1 2 261.387 1.087 20 30 CDEDLO C[C@@H]1CN(S(=O)(=O)CCCCC#N)C[C@H](C)[N@H+]1C ZINC000339065547 391248466 /nfs/dbraw/zinc/24/84/66/391248466.db2.gz GRUSJCMJVDTEKF-TXEJJXNPSA-N 1 2 273.402 1.034 20 30 CDEDLO C[C@@H]1CN(S(=O)(=O)CCCCC#N)C[C@H](C)[N@@H+]1C ZINC000339065547 391248469 /nfs/dbraw/zinc/24/84/69/391248469.db2.gz GRUSJCMJVDTEKF-TXEJJXNPSA-N 1 2 273.402 1.034 20 30 CDEDLO C=CCOCC[N@H+]1CCOC[C@@H]1c1cccn1C ZINC000339091473 391252778 /nfs/dbraw/zinc/25/27/78/391252778.db2.gz ATQRQGCKZAMDLX-CQSZACIVSA-N 1 2 250.342 1.601 20 30 CDEDLO C=CCOCC[N@@H+]1CCOC[C@@H]1c1cccn1C ZINC000339091473 391252782 /nfs/dbraw/zinc/25/27/82/391252782.db2.gz ATQRQGCKZAMDLX-CQSZACIVSA-N 1 2 250.342 1.601 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269655567 391254506 /nfs/dbraw/zinc/25/45/06/391254506.db2.gz OLXDEZNHNVDNOC-MFKMUULPSA-N 1 2 263.297 1.720 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269655567 391254510 /nfs/dbraw/zinc/25/45/10/391254510.db2.gz OLXDEZNHNVDNOC-MFKMUULPSA-N 1 2 263.297 1.720 20 30 CDEDLO CC[N@H+](CCC#N)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269664988 391255097 /nfs/dbraw/zinc/25/50/97/391255097.db2.gz RWCIEKRNRHJLKC-ZDUSSCGKSA-N 1 2 263.297 1.864 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269664988 391255098 /nfs/dbraw/zinc/25/50/98/391255098.db2.gz RWCIEKRNRHJLKC-ZDUSSCGKSA-N 1 2 263.297 1.864 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+](CC(=O)OC)C1CCCC1 ZINC000125435809 391255928 /nfs/dbraw/zinc/25/59/28/391255928.db2.gz VPIOLYYMGDJBII-UHFFFAOYSA-N 1 2 294.395 1.605 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+](CC(=O)OC)C1CCCC1 ZINC000125435809 391255929 /nfs/dbraw/zinc/25/59/29/391255929.db2.gz VPIOLYYMGDJBII-UHFFFAOYSA-N 1 2 294.395 1.605 20 30 CDEDLO CC(C)(C)[C@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000267364473 391192490 /nfs/dbraw/zinc/19/24/90/391192490.db2.gz AQVWFKMCYGWFMG-LBPRGKRZSA-N 1 2 283.335 1.935 20 30 CDEDLO N#CCc1cccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000366095084 391215905 /nfs/dbraw/zinc/21/59/05/391215905.db2.gz VIRYNYYHSJEYCW-INIZCTEOSA-N 1 2 299.374 1.299 20 30 CDEDLO COCCn1nnc2c1CC[N@H+](CCC(C)(C)C#N)C2 ZINC000339304008 391281610 /nfs/dbraw/zinc/28/16/10/391281610.db2.gz ILLHIKPMWIENDB-UHFFFAOYSA-N 1 2 277.372 1.222 20 30 CDEDLO COCCn1nnc2c1CC[N@@H+](CCC(C)(C)C#N)C2 ZINC000339304008 391281615 /nfs/dbraw/zinc/28/16/15/391281615.db2.gz ILLHIKPMWIENDB-UHFFFAOYSA-N 1 2 277.372 1.222 20 30 CDEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000408084912 391286939 /nfs/dbraw/zinc/28/69/39/391286939.db2.gz UYYNRZHITBGPQY-VXGBXAGGSA-N 1 2 293.392 1.271 20 30 CDEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000408084912 391286942 /nfs/dbraw/zinc/28/69/42/391286942.db2.gz UYYNRZHITBGPQY-VXGBXAGGSA-N 1 2 293.392 1.271 20 30 CDEDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccc(C#N)s2)CCO1 ZINC000347586893 391301242 /nfs/dbraw/zinc/30/12/42/391301242.db2.gz NGPVLAZRIMRYNC-NSHDSACASA-N 1 2 293.392 1.460 20 30 CDEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)s2)CCO1 ZINC000347586893 391301244 /nfs/dbraw/zinc/30/12/44/391301244.db2.gz NGPVLAZRIMRYNC-NSHDSACASA-N 1 2 293.392 1.460 20 30 CDEDLO CCN(CC#N)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000346328115 391349171 /nfs/dbraw/zinc/34/91/71/391349171.db2.gz KCSCFBGXFQTJIU-UHFFFAOYSA-N 1 2 282.347 1.846 20 30 CDEDLO CCN1C[C@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1=O ZINC000328976275 391401505 /nfs/dbraw/zinc/40/15/05/391401505.db2.gz WJPOHJNFQMNPKN-NXEZZACHSA-N 1 2 276.340 1.092 20 30 CDEDLO CCN1C[C@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1=O ZINC000328976275 391401507 /nfs/dbraw/zinc/40/15/07/391401507.db2.gz WJPOHJNFQMNPKN-NXEZZACHSA-N 1 2 276.340 1.092 20 30 CDEDLO Cc1cc(=NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)[nH]n1CCC#N ZINC000330571867 391449311 /nfs/dbraw/zinc/44/93/11/391449311.db2.gz FYORDUIYRPOXEL-VXGBXAGGSA-N 1 2 289.383 1.338 20 30 CDEDLO C=C(CC)C[NH2+][C@@H](C(=O)OCC)C1CCOCC1 ZINC000348772813 391454873 /nfs/dbraw/zinc/45/48/73/391454873.db2.gz IRMSWSZYRSNXNA-CYBMUJFWSA-N 1 2 255.358 1.901 20 30 CDEDLO COc1ccc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)c(F)c1 ZINC000330616360 391459163 /nfs/dbraw/zinc/45/91/63/391459163.db2.gz DRJAJADHOMAEFO-NSHDSACASA-N 1 2 296.342 1.860 20 30 CDEDLO COc1ccc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)c(F)c1 ZINC000330616360 391459166 /nfs/dbraw/zinc/45/91/66/391459166.db2.gz DRJAJADHOMAEFO-NSHDSACASA-N 1 2 296.342 1.860 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000354351472 391416199 /nfs/dbraw/zinc/41/61/99/391416199.db2.gz LQYATSYVHGWUST-ZFWWWQNUSA-N 1 2 293.411 1.495 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000354351472 391416201 /nfs/dbraw/zinc/41/62/01/391416201.db2.gz LQYATSYVHGWUST-ZFWWWQNUSA-N 1 2 293.411 1.495 20 30 CDEDLO N#CC[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000597901571 391516711 /nfs/dbraw/zinc/51/67/11/391516711.db2.gz XMZMAXFIBFCDIQ-OLZOCXBDSA-N 1 2 272.352 1.598 20 30 CDEDLO C=CCCC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000102230595 391520083 /nfs/dbraw/zinc/52/00/83/391520083.db2.gz OYIAORWBPQYTOJ-CYBMUJFWSA-N 1 2 289.379 1.889 20 30 CDEDLO C[C@@](CO)([NH2+]CC1(C#N)CCC1)c1cccc(O)c1 ZINC000451035040 391537950 /nfs/dbraw/zinc/53/79/50/391537950.db2.gz ABYPFCBTBSLXHU-AWEZNQCLSA-N 1 2 260.337 1.883 20 30 CDEDLO Cc1cc(NCCc2nccnc2C)c(C#N)c[nH+]1 ZINC000567893113 391546634 /nfs/dbraw/zinc/54/66/34/391546634.db2.gz BBPGCGWJIGRFKG-UHFFFAOYSA-N 1 2 253.309 1.437 20 30 CDEDLO CC(C)(CCC#N)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000360410640 391658609 /nfs/dbraw/zinc/65/86/09/391658609.db2.gz JFZAAHKWIFJEOG-LBPRGKRZSA-N 1 2 274.368 1.892 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@H](C)C1CCSCC1)C(=O)OC ZINC000361114957 391683765 /nfs/dbraw/zinc/68/37/65/391683765.db2.gz VETWWDYUUIMEHT-DGCLKSJQSA-N 1 2 287.425 1.852 20 30 CDEDLO C#Cc1cccc(NC(=O)CN(C)c2cc[nH+]c(C)n2)c1 ZINC000135468489 391727031 /nfs/dbraw/zinc/72/70/31/391727031.db2.gz RCYBJMMBVUERFV-UHFFFAOYSA-N 1 2 280.331 1.841 20 30 CDEDLO COCCC1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329750958 391770947 /nfs/dbraw/zinc/77/09/47/391770947.db2.gz VHBXUPPIOYRATG-LLVKDONJSA-N 1 2 292.383 1.539 20 30 CDEDLO COCCC1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329750958 391770951 /nfs/dbraw/zinc/77/09/51/391770951.db2.gz VHBXUPPIOYRATG-LLVKDONJSA-N 1 2 292.383 1.539 20 30 CDEDLO CC[N@H+](Cc1cc(C#N)n(C)c1)[C@@H](C)CS(=O)(=O)CC ZINC000191362689 130225879 /nfs/dbraw/zinc/22/58/79/130225879.db2.gz BQQVPOXHUWTYSH-LBPRGKRZSA-N 1 2 297.424 1.542 20 30 CDEDLO CC[N@@H+](Cc1cc(C#N)n(C)c1)[C@@H](C)CS(=O)(=O)CC ZINC000191362689 130225882 /nfs/dbraw/zinc/22/58/82/130225882.db2.gz BQQVPOXHUWTYSH-LBPRGKRZSA-N 1 2 297.424 1.542 20 30 CDEDLO C[C@@H](C#N)CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000520360530 391790325 /nfs/dbraw/zinc/79/03/25/391790325.db2.gz UIEHJBAPPDSDIK-LBPRGKRZSA-N 1 2 268.320 1.821 20 30 CDEDLO C[C@H](c1nnnn1C)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000329917700 391798771 /nfs/dbraw/zinc/79/87/71/391798771.db2.gz ZLGYVAKJDSZMID-SECBINFHSA-N 1 2 278.360 1.102 20 30 CDEDLO CCN1CCN(C(=O)NC2CC(C)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329963339 391807780 /nfs/dbraw/zinc/80/77/80/391807780.db2.gz PVAZCNXLGKWUSX-BPCQOVAHSA-N 1 2 291.399 1.801 20 30 CDEDLO Cn1cc([C@H](CO)[NH2+]Cc2cccc(C#N)c2F)cn1 ZINC000494798929 391901124 /nfs/dbraw/zinc/90/11/24/391901124.db2.gz HANOPTGWUJHNLN-ZDUSSCGKSA-N 1 2 274.299 1.254 20 30 CDEDLO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1nncn1C ZINC000494793655 391901442 /nfs/dbraw/zinc/90/14/42/391901442.db2.gz JSOBSUAUBGATOT-SNVBAGLBSA-N 1 2 271.324 1.546 20 30 CDEDLO N#Cc1nccnc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000263771835 131327060 /nfs/dbraw/zinc/32/70/60/131327060.db2.gz HILPLWWWHVSXHG-UHFFFAOYSA-N 1 2 296.334 1.192 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc(C#N)c(O)c1 ZINC000442659832 392444223 /nfs/dbraw/zinc/44/42/23/392444223.db2.gz WLGHDPYEOPFWBI-UHFFFAOYSA-N 1 2 256.265 1.259 20 30 CDEDLO Cc1cc(NCCC(=O)NCc2ccccn2)c(C#N)c[nH+]1 ZINC000425249138 393003866 /nfs/dbraw/zinc/00/38/66/393003866.db2.gz SSGPXUVSDPFPLV-UHFFFAOYSA-N 1 2 295.346 1.197 20 30 CDEDLO Cc1cc(N2C[C@](C)(CO)[C@](C)(CO)C2)c(C#N)c[nH+]1 ZINC000528202973 393024086 /nfs/dbraw/zinc/02/40/86/393024086.db2.gz LBOZPXNMHODCOO-GASCZTMLSA-N 1 2 275.352 1.079 20 30 CDEDLO N#Cc1cccc(CNC(=O)COc2cc[nH+]cc2)c1 ZINC000431482753 393111322 /nfs/dbraw/zinc/11/13/22/393111322.db2.gz NBWJHBPSWVVKLX-UHFFFAOYSA-N 1 2 267.288 1.648 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCn2cnnc2[C@H]1C ZINC000276822105 393120158 /nfs/dbraw/zinc/12/01/58/393120158.db2.gz ONDBXLJAZCZHAE-LLVKDONJSA-N 1 2 283.335 1.735 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCn2cnnc2[C@H]1C ZINC000276822105 393120161 /nfs/dbraw/zinc/12/01/61/393120161.db2.gz ONDBXLJAZCZHAE-LLVKDONJSA-N 1 2 283.335 1.735 20 30 CDEDLO N#Cc1cc(NC(=O)CCc2c[nH+]c[nH]2)ccc1F ZINC000189338479 140113757 /nfs/dbraw/zinc/11/37/57/140113757.db2.gz HWTBCMXZUBHMOW-UHFFFAOYSA-N 1 2 258.256 1.992 20 30 CDEDLO N#Cc1cc(NC(=O)CCc2c[nH]c[nH+]2)ccc1F ZINC000189338479 140113758 /nfs/dbraw/zinc/11/37/58/140113758.db2.gz HWTBCMXZUBHMOW-UHFFFAOYSA-N 1 2 258.256 1.992 20 30 CDEDLO Cc1ccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c(C)n1 ZINC000329929368 292140783 /nfs/dbraw/zinc/14/07/83/292140783.db2.gz NKJNOZJDHGNUIA-KGLIPLIRSA-N 1 2 290.367 1.259 20 30 CDEDLO Cc1ccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c(C)n1 ZINC000329929368 292140784 /nfs/dbraw/zinc/14/07/84/292140784.db2.gz NKJNOZJDHGNUIA-KGLIPLIRSA-N 1 2 290.367 1.259 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(F)c(C#N)c1 ZINC000334174083 149330767 /nfs/dbraw/zinc/33/07/67/149330767.db2.gz BXOPVQNEYLXWLV-UHFFFAOYSA-N 1 2 272.283 1.703 20 30 CDEDLO C[C@@H](C(=O)N1CCn2c[nH+]cc2C1)c1cccc(C#N)c1 ZINC000336036117 151214506 /nfs/dbraw/zinc/21/45/06/151214506.db2.gz DGSYZIWCGTYKDO-GFCCVEGCSA-N 1 2 280.331 1.901 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)CCc1ccc(C#N)cc1 ZINC000343308235 152114382 /nfs/dbraw/zinc/11/43/82/152114382.db2.gz LGAMNRRFPXYRGM-UHFFFAOYSA-N 1 2 268.320 1.541 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCCc1cccc(C#N)c1 ZINC000346106573 153055329 /nfs/dbraw/zinc/05/53/29/153055329.db2.gz OHTLPEJZGIICPA-CYBMUJFWSA-N 1 2 297.362 1.685 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)CNc1ccc(C#N)cc1 ZINC000346387318 153166128 /nfs/dbraw/zinc/16/61/28/153166128.db2.gz GRMMFGSMGFFKQV-UHFFFAOYSA-N 1 2 269.308 1.352 20 30 CDEDLO N#Cc1cncc(S(=O)(=O)N2CCc3c[nH+]ccc32)c1 ZINC000352234032 155046650 /nfs/dbraw/zinc/04/66/50/155046650.db2.gz HDGMMTXKCBHAHB-UHFFFAOYSA-N 1 2 286.316 1.100 20 30 CDEDLO Cn1ncc(C(=O)NCCCCNc2cccc[nH+]2)c1C#N ZINC000355656581 157169629 /nfs/dbraw/zinc/16/96/29/157169629.db2.gz KFNVJZJEIYUYKO-UHFFFAOYSA-N 1 2 298.350 1.309 20 30 CDEDLO C[C@H]1CCN(C(=O)c2cnccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000358851213 158051366 /nfs/dbraw/zinc/05/13/66/158051366.db2.gz KDQLDXDPQYIJIJ-SWLSCSKDSA-N 1 2 295.346 1.873 20 30 CDEDLO CCOC(=O)CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000374389875 160281467 /nfs/dbraw/zinc/28/14/67/160281467.db2.gz VMAZOUFLEVITPZ-OAHLLOKOSA-N 1 2 288.347 1.885 20 30 CDEDLO CCOC(=O)CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000374389875 160281469 /nfs/dbraw/zinc/28/14/69/160281469.db2.gz VMAZOUFLEVITPZ-OAHLLOKOSA-N 1 2 288.347 1.885 20 30 CDEDLO C=C(CNc1cc(C)ncn1)CNc1cc(C)[nH+]cn1 ZINC000664629974 413553848 /nfs/dbraw/zinc/55/38/48/413553848.db2.gz ZQKGZPARYHNJKW-UHFFFAOYSA-N 1 2 270.340 1.964 20 30 CDEDLO C=CCCN(C)C(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000285377086 196266227 /nfs/dbraw/zinc/26/62/27/196266227.db2.gz WFFFDFMDABIZKK-UHFFFAOYSA-N 1 2 290.367 1.034 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664830737 413683061 /nfs/dbraw/zinc/68/30/61/413683061.db2.gz BVJNLWWBJWBOJU-AWEZNQCLSA-N 1 2 259.353 1.767 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664830737 413683066 /nfs/dbraw/zinc/68/30/66/413683066.db2.gz BVJNLWWBJWBOJU-AWEZNQCLSA-N 1 2 259.353 1.767 20 30 CDEDLO C=CCOCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000654990444 413878946 /nfs/dbraw/zinc/87/89/46/413878946.db2.gz MMAAUTINNHAXEQ-UHFFFAOYSA-N 1 2 259.309 1.575 20 30 CDEDLO C=CC[N@@H+](CCS(=O)(=O)c1ccccc1)[C@H](C)COC ZINC000661245142 413917022 /nfs/dbraw/zinc/91/70/22/413917022.db2.gz YSHGAZINQHTWRS-CQSZACIVSA-N 1 2 297.420 1.983 20 30 CDEDLO C=CC[N@H+](CCS(=O)(=O)c1ccccc1)[C@H](C)COC ZINC000661245142 413917027 /nfs/dbraw/zinc/91/70/27/413917027.db2.gz YSHGAZINQHTWRS-CQSZACIVSA-N 1 2 297.420 1.983 20 30 CDEDLO C=C(C)CS(=O)(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000657070700 413893073 /nfs/dbraw/zinc/89/30/73/413893073.db2.gz UQNCXMHFLHIFAG-UHFFFAOYSA-N 1 2 295.408 1.677 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)nn1 ZINC000657488355 414388387 /nfs/dbraw/zinc/38/83/87/414388387.db2.gz BOJQEESGANGAMU-UONOGXRCSA-N 1 2 289.383 1.097 20 30 CDEDLO CCOC(=O)N[C@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000076509926 177030416 /nfs/dbraw/zinc/03/04/16/177030416.db2.gz IBRPHKFASZVULH-STQMWFEESA-N 1 2 278.356 1.640 20 30 CDEDLO CCOC(=O)N[C@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000076509926 177030417 /nfs/dbraw/zinc/03/04/17/177030417.db2.gz IBRPHKFASZVULH-STQMWFEESA-N 1 2 278.356 1.640 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOC(C)(C)C1 ZINC000076949231 177134530 /nfs/dbraw/zinc/13/45/30/177134530.db2.gz HRZDPXOSFZJGMJ-GFCCVEGCSA-N 1 2 267.373 1.105 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOC(C)(C)C1 ZINC000076949231 177134533 /nfs/dbraw/zinc/13/45/33/177134533.db2.gz HRZDPXOSFZJGMJ-GFCCVEGCSA-N 1 2 267.373 1.105 20 30 CDEDLO C=CCC[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(=O)OCC ZINC000521897547 260224631 /nfs/dbraw/zinc/22/46/31/260224631.db2.gz FYSKDRHWWWWZIR-AAEUAGOBSA-N 1 2 293.367 1.602 20 30 CDEDLO C=CCC[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(=O)OCC ZINC000521897547 260224632 /nfs/dbraw/zinc/22/46/32/260224632.db2.gz FYSKDRHWWWWZIR-AAEUAGOBSA-N 1 2 293.367 1.602 20 30 CDEDLO COc1ccccc1C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000153747615 261082182 /nfs/dbraw/zinc/08/21/82/261082182.db2.gz NITNYSVATGPASV-UHFFFAOYSA-N 1 2 273.336 1.253 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)N[C@H](Cc1ccccc1)C(C)=O ZINC000490759318 261201678 /nfs/dbraw/zinc/20/16/78/261201678.db2.gz CFHXUNGJKKGNCU-MRXNPFEDSA-N 1 2 286.375 1.258 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)N[C@H](Cc1ccccc1)C(C)=O ZINC000490759318 261201680 /nfs/dbraw/zinc/20/16/80/261201680.db2.gz CFHXUNGJKKGNCU-MRXNPFEDSA-N 1 2 286.375 1.258 20 30 CDEDLO C#C[C@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000490951372 261264116 /nfs/dbraw/zinc/26/41/16/261264116.db2.gz XHNHUKMRBVTNRJ-RYUDHWBXSA-N 1 2 260.341 1.155 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000491268457 261395933 /nfs/dbraw/zinc/39/59/33/261395933.db2.gz ZNIFFMKOZQKQOX-NSHDSACASA-N 1 2 276.336 1.554 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000491268457 261395934 /nfs/dbraw/zinc/39/59/34/261395934.db2.gz ZNIFFMKOZQKQOX-NSHDSACASA-N 1 2 276.336 1.554 20 30 CDEDLO CC#CCC[N@@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000364336227 262206555 /nfs/dbraw/zinc/20/65/55/262206555.db2.gz KEXMQHYFOICTJW-CYBMUJFWSA-N 1 2 282.384 1.625 20 30 CDEDLO CC#CCC[N@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000364336227 262206557 /nfs/dbraw/zinc/20/65/57/262206557.db2.gz KEXMQHYFOICTJW-CYBMUJFWSA-N 1 2 282.384 1.625 20 30 CDEDLO N#CCCN(CC1CC1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364386429 262223530 /nfs/dbraw/zinc/22/35/30/262223530.db2.gz DGUMROBHNBSYOX-CYBMUJFWSA-N 1 2 272.352 1.598 20 30 CDEDLO CC#CCCNC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000355171558 262352121 /nfs/dbraw/zinc/35/21/21/262352121.db2.gz ZMCMZGXNNJPKLM-LBPRGKRZSA-N 1 2 260.341 1.584 20 30 CDEDLO C#CCCCNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365454190 262366073 /nfs/dbraw/zinc/36/60/73/262366073.db2.gz ABPNZQWRUAEBNJ-CYBMUJFWSA-N 1 2 274.368 1.723 20 30 CDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCCc1scnc1C ZINC000267046624 262922630 /nfs/dbraw/zinc/92/26/30/262922630.db2.gz DMRYTTLXDWQVBW-UHFFFAOYSA-N 1 2 284.385 1.198 20 30 CDEDLO CN(C)c1ncnc(Cl)c1C[NH+]1CCC(C#N)CC1 ZINC000278562424 263048817 /nfs/dbraw/zinc/04/88/17/263048817.db2.gz ILBVUMSVMHXLOM-UHFFFAOYSA-N 1 2 279.775 1.932 20 30 CDEDLO N#Cc1c(CO[NH+]=C(N)[C@H]2CCCO2)cn2ccccc12 ZINC000283754036 263084101 /nfs/dbraw/zinc/08/41/01/263084101.db2.gz ADQBCTLSQFZOQZ-CQSZACIVSA-N 1 2 284.319 1.779 20 30 CDEDLO CC(=O)Nc1cccc(CO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000283882202 263084792 /nfs/dbraw/zinc/08/47/92/263084792.db2.gz CUEIIJCGKTUJHO-CYBMUJFWSA-N 1 2 277.324 1.613 20 30 CDEDLO NC(=[NH+]OCc1cccc(F)c1F)[C@H]1CCCO1 ZINC000284502248 263087225 /nfs/dbraw/zinc/08/72/25/263087225.db2.gz SYYQJBZGNPHZAD-SNVBAGLBSA-N 1 2 256.252 1.933 20 30 CDEDLO N#Cc1cc(Br)ccc1CO[NH+]=C(N)CCO ZINC000288772067 263105946 /nfs/dbraw/zinc/10/59/46/263105946.db2.gz ZXVAXZCQTIBYDC-UHFFFAOYSA-N 1 2 298.140 1.492 20 30 CDEDLO C=CC[C@@H](CO)C[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000340318678 263110435 /nfs/dbraw/zinc/11/04/35/263110435.db2.gz WFHLOJIPZFMFCA-YPMHNXCESA-N 1 2 273.340 1.063 20 30 CDEDLO COc1cc[nH+]cc1C/N=C/c1c(CO)cnc(C)c1O ZINC000292416933 263131939 /nfs/dbraw/zinc/13/19/39/263131939.db2.gz ZKYXRVNCROQIIZ-CAOOACKPSA-N 1 2 287.319 1.611 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000120459537 263284151 /nfs/dbraw/zinc/28/41/51/263284151.db2.gz KBPUIRVXEZUSNX-TZMCWYRMSA-N 1 2 289.383 1.397 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000120459537 263284153 /nfs/dbraw/zinc/28/41/53/263284153.db2.gz KBPUIRVXEZUSNX-TZMCWYRMSA-N 1 2 289.383 1.397 20 30 CDEDLO CCCCNc1cc(N2CCC(C#N)CC2)nc(N)[nH+]1 ZINC000341847741 263358555 /nfs/dbraw/zinc/35/85/55/263358555.db2.gz WUVHNBUVYMJZIF-UHFFFAOYSA-N 1 2 274.372 1.841 20 30 CDEDLO CCCCNc1cc(N2CCC(C#N)CC2)[nH+]c(N)n1 ZINC000341847741 263358556 /nfs/dbraw/zinc/35/85/56/263358556.db2.gz WUVHNBUVYMJZIF-UHFFFAOYSA-N 1 2 274.372 1.841 20 30 CDEDLO C=CCOCC(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000342060950 263384519 /nfs/dbraw/zinc/38/45/19/263384519.db2.gz IHNGLRYSUJOOBN-UHFFFAOYSA-N 1 2 271.320 1.896 20 30 CDEDLO C[C@@H](C#N)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000330957100 264088472 /nfs/dbraw/zinc/08/84/72/264088472.db2.gz KKIXIFFCIFHYAK-LBPRGKRZSA-N 1 2 273.336 1.735 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000330971863 264092565 /nfs/dbraw/zinc/09/25/65/264092565.db2.gz BNRBMBAXJFIISB-SNVBAGLBSA-N 1 2 279.344 1.471 20 30 CDEDLO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)NC(=O)NC(C)C)n1 ZINC000330983622 264102892 /nfs/dbraw/zinc/10/28/92/264102892.db2.gz OYTBIOAPMMLSKV-GFCCVEGCSA-N 1 2 292.383 1.649 20 30 CDEDLO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)NC(=O)NC(C)C)n1 ZINC000330983622 264102893 /nfs/dbraw/zinc/10/28/93/264102893.db2.gz OYTBIOAPMMLSKV-GFCCVEGCSA-N 1 2 292.383 1.649 20 30 CDEDLO CC[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000331225097 264149883 /nfs/dbraw/zinc/14/98/83/264149883.db2.gz ZRIDNFRGEWPBSZ-RDBSUJKOSA-N 1 2 295.427 1.930 20 30 CDEDLO CC[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000331225097 264149884 /nfs/dbraw/zinc/14/98/84/264149884.db2.gz ZRIDNFRGEWPBSZ-RDBSUJKOSA-N 1 2 295.427 1.930 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCN(C)C[C@@H]1C(C)C ZINC000331231698 264153124 /nfs/dbraw/zinc/15/31/24/264153124.db2.gz IMXISKGZURROCK-CQSZACIVSA-N 1 2 280.416 1.021 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCN(C)C[C@@H]1C(C)C ZINC000331231698 264153125 /nfs/dbraw/zinc/15/31/25/264153125.db2.gz IMXISKGZURROCK-CQSZACIVSA-N 1 2 280.416 1.021 20 30 CDEDLO CC[C@]1(C)C[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CCO1 ZINC000331275115 264170586 /nfs/dbraw/zinc/17/05/86/264170586.db2.gz NKRZGRHWXOXSPT-BMFZPTHFSA-N 1 2 295.427 1.930 20 30 CDEDLO CC[C@]1(C)C[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CCO1 ZINC000331275115 264170588 /nfs/dbraw/zinc/17/05/88/264170588.db2.gz NKRZGRHWXOXSPT-BMFZPTHFSA-N 1 2 295.427 1.930 20 30 CDEDLO Cc1ncc(C(=O)NC(C)(C)C[NH+]2CCOCC2)c(C)n1 ZINC000331334791 264192597 /nfs/dbraw/zinc/19/25/97/264192597.db2.gz IOWQKYNCDGHQOC-UHFFFAOYSA-N 1 2 292.383 1.509 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331337594 264193888 /nfs/dbraw/zinc/19/38/88/264193888.db2.gz VQOZEOJJUFJFEB-ZDUSSCGKSA-N 1 2 281.400 1.495 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331337594 264193890 /nfs/dbraw/zinc/19/38/90/264193890.db2.gz VQOZEOJJUFJFEB-ZDUSSCGKSA-N 1 2 281.400 1.495 20 30 CDEDLO CC[N@@H+](Cc1cnc(-c2cnn(C)c2)nc1)C[C@H](C)C#N ZINC000368443217 267172581 /nfs/dbraw/zinc/17/25/81/267172581.db2.gz SKRCAIXQPWLXQI-GFCCVEGCSA-N 1 2 284.367 1.859 20 30 CDEDLO CC[N@H+](Cc1cnc(-c2cnn(C)c2)nc1)C[C@H](C)C#N ZINC000368443217 267172586 /nfs/dbraw/zinc/17/25/86/267172586.db2.gz SKRCAIXQPWLXQI-GFCCVEGCSA-N 1 2 284.367 1.859 20 30 CDEDLO C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000117078460 267200393 /nfs/dbraw/zinc/20/03/93/267200393.db2.gz HTDWKLHQPKJQSA-LBPRGKRZSA-N 1 2 298.346 1.892 20 30 CDEDLO COCCC[N@@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000369301810 267233313 /nfs/dbraw/zinc/23/33/13/267233313.db2.gz FOWCEYOBNWKTDR-ZIAGYGMSSA-N 1 2 252.358 1.950 20 30 CDEDLO COCCC[N@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000369301810 267233319 /nfs/dbraw/zinc/23/33/19/267233319.db2.gz FOWCEYOBNWKTDR-ZIAGYGMSSA-N 1 2 252.358 1.950 20 30 CDEDLO CN(C(=O)CCc1c[nH+]cn1C)c1cccc(C#N)c1 ZINC000525995780 267271173 /nfs/dbraw/zinc/27/11/73/267271173.db2.gz KWALKXHKCDPFFL-UHFFFAOYSA-N 1 2 268.320 1.887 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1cccc(C#N)c1 ZINC000493284760 267282612 /nfs/dbraw/zinc/28/26/12/267282612.db2.gz FFJWCYJCLIXCRT-WAVCKPEOSA-N 1 2 282.347 1.532 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1ccc(C#N)cc1 ZINC000493201949 267282853 /nfs/dbraw/zinc/28/28/53/267282853.db2.gz GWGKBURUEWGUGB-FDMDGMSGSA-N 1 2 282.347 1.532 20 30 CDEDLO Cn1ncc(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)c1C#N ZINC000525980491 268133774 /nfs/dbraw/zinc/13/37/74/268133774.db2.gz GSWUTIAOGUHNKB-UHFFFAOYSA-N 1 2 292.302 1.934 20 30 CDEDLO CC(C)(C)[C@@H](C#N)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000334876826 277223440 /nfs/dbraw/zinc/22/34/40/277223440.db2.gz JFOUPRQIYLWSLA-GXSJLCMTSA-N 1 2 260.341 1.884 20 30 CDEDLO CC(C)(C)[C@@H](C#N)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000334876826 277223441 /nfs/dbraw/zinc/22/34/41/277223441.db2.gz JFOUPRQIYLWSLA-GXSJLCMTSA-N 1 2 260.341 1.884 20 30 CDEDLO CS(=O)(=O)N1CC[N@H+](CCCC#N)Cc2ccccc21 ZINC000367037613 278110877 /nfs/dbraw/zinc/11/08/77/278110877.db2.gz LUVBYPYYULNEMM-UHFFFAOYSA-N 1 2 293.392 1.572 20 30 CDEDLO CS(=O)(=O)N1CC[N@@H+](CCCC#N)Cc2ccccc21 ZINC000367037613 278110878 /nfs/dbraw/zinc/11/08/78/278110878.db2.gz LUVBYPYYULNEMM-UHFFFAOYSA-N 1 2 293.392 1.572 20 30 CDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)C[N@@H+]1C ZINC000350896015 288239901 /nfs/dbraw/zinc/23/99/01/288239901.db2.gz MHDWCJCMJNWNPP-NEPJUHHUSA-N 1 2 293.392 1.271 20 30 CDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)C[N@H+]1C ZINC000350896015 288239904 /nfs/dbraw/zinc/23/99/04/288239904.db2.gz MHDWCJCMJNWNPP-NEPJUHHUSA-N 1 2 293.392 1.271 20 30 CDEDLO C[C@@H]1COCC[C@@H]1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330341595 288356694 /nfs/dbraw/zinc/35/66/94/288356694.db2.gz ZLPMJGUJZPXNSU-OLZOCXBDSA-N 1 2 299.415 1.026 20 30 CDEDLO C[C@@H]1COCC[C@@H]1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330341595 288356695 /nfs/dbraw/zinc/35/66/95/288356695.db2.gz ZLPMJGUJZPXNSU-OLZOCXBDSA-N 1 2 299.415 1.026 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000555087255 290202794 /nfs/dbraw/zinc/20/27/94/290202794.db2.gz GANGEHCRJYNMNK-UHFFFAOYSA-N 1 2 269.308 1.267 20 30 CDEDLO Cc1onc(CC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1C#N ZINC000331677972 294062023 /nfs/dbraw/zinc/06/20/23/294062023.db2.gz VNPPIYXFNSNDOQ-CYBMUJFWSA-N 1 2 299.334 1.874 20 30 CDEDLO C[C@@H]1CSCCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330147949 297174272 /nfs/dbraw/zinc/17/42/72/297174272.db2.gz UJXVJUAZDUJPHS-RYUDHWBXSA-N 1 2 294.424 1.797 20 30 CDEDLO C[C@H](CCC#N)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000351471535 298364251 /nfs/dbraw/zinc/36/42/51/298364251.db2.gz KGKONDHIZRXIFM-CABCVRRESA-N 1 2 292.427 1.307 20 30 CDEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000459450060 303205474 /nfs/dbraw/zinc/20/54/74/303205474.db2.gz YAJHPOXHSZBDBD-TZMCWYRMSA-N 1 2 291.307 1.096 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(C#N)cc1 ZINC000570773059 327617337 /nfs/dbraw/zinc/61/73/37/327617337.db2.gz RXBZUKCNWZYDLM-AWEZNQCLSA-N 1 2 256.309 1.132 20 30 CDEDLO COCCn1cc(C[NH2+]C[C@@H](C#N)CCC#N)cn1 ZINC000580215588 327736095 /nfs/dbraw/zinc/73/60/95/327736095.db2.gz NPQDMGGFKNOXDZ-GFCCVEGCSA-N 1 2 261.329 1.063 20 30 CDEDLO Cc1ccn2cc(CNC(=O)NCC3(C#N)CC3)[nH+]c2c1 ZINC000563668993 328083113 /nfs/dbraw/zinc/08/31/13/328083113.db2.gz RAVQRXGGSHVVTM-UHFFFAOYSA-N 1 2 283.335 1.746 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000412358471 328109652 /nfs/dbraw/zinc/10/96/52/328109652.db2.gz FPABJVOWGCFWHC-BBRMVZONSA-N 1 2 296.411 1.590 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000412358471 328109653 /nfs/dbraw/zinc/10/96/53/328109653.db2.gz FPABJVOWGCFWHC-BBRMVZONSA-N 1 2 296.411 1.590 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cc(OC)ccc1OC ZINC000571462263 328123392 /nfs/dbraw/zinc/12/33/92/328123392.db2.gz NNWUHMFAIDPHKF-LLVKDONJSA-N 1 2 291.351 1.924 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)Cc1ccc(OCC#N)cc1 ZINC000267229584 328175287 /nfs/dbraw/zinc/17/52/87/328175287.db2.gz PFVMPGYOBGZAMN-UHFFFAOYSA-N 1 2 284.319 1.479 20 30 CDEDLO N#CCc1ccc(C(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000290884339 328260679 /nfs/dbraw/zinc/26/06/79/328260679.db2.gz FAWLELXQFLERPY-UHFFFAOYSA-N 1 2 266.304 1.605 20 30 CDEDLO COC(=O)c1cc(C[N@H+](C)C[C@@H](C)C#N)n(C)c1C ZINC000291305307 328262823 /nfs/dbraw/zinc/26/28/23/328262823.db2.gz XDHRCJHFGPMJJO-JTQLQIEISA-N 1 2 263.341 1.712 20 30 CDEDLO COC(=O)c1cc(C[N@@H+](C)C[C@@H](C)C#N)n(C)c1C ZINC000291305307 328262824 /nfs/dbraw/zinc/26/28/24/328262824.db2.gz XDHRCJHFGPMJJO-JTQLQIEISA-N 1 2 263.341 1.712 20 30 CDEDLO CC(C)=CCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000584124405 327046060 /nfs/dbraw/zinc/04/60/60/327046060.db2.gz DMXKYPKQIACKRB-UHFFFAOYSA-N 1 2 287.363 1.518 20 30 CDEDLO COc1ccc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000558897726 327130015 /nfs/dbraw/zinc/13/00/15/327130015.db2.gz AQZZZEJAIDMJPG-HNNXBMFYSA-N 1 2 275.352 1.198 20 30 CDEDLO COc1ccccc1COC[C@@H](O)C[N@H+](C)CCC#N ZINC000078320951 327134785 /nfs/dbraw/zinc/13/47/85/327134785.db2.gz RAQUPBQQMGSLGB-AWEZNQCLSA-N 1 2 278.352 1.418 20 30 CDEDLO COc1ccccc1COC[C@@H](O)C[N@@H+](C)CCC#N ZINC000078320951 327134786 /nfs/dbraw/zinc/13/47/86/327134786.db2.gz RAQUPBQQMGSLGB-AWEZNQCLSA-N 1 2 278.352 1.418 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000092193418 327187667 /nfs/dbraw/zinc/18/76/67/327187667.db2.gz SFADMLDJXNNABU-GFCCVEGCSA-N 1 2 283.418 1.679 20 30 CDEDLO C#CC[N@H+](Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000092193418 327187668 /nfs/dbraw/zinc/18/76/68/327187668.db2.gz SFADMLDJXNNABU-GFCCVEGCSA-N 1 2 283.418 1.679 20 30 CDEDLO CC[C@@H](C#N)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000172115068 329081589 /nfs/dbraw/zinc/08/15/89/329081589.db2.gz AUPQVAWJWHIAPX-LBPRGKRZSA-N 1 2 254.293 1.904 20 30 CDEDLO N#C[C@@H]1N(C(=O)Cn2cc[nH+]c2)CCC[C@@]12CCCCO2 ZINC000582521273 329100169 /nfs/dbraw/zinc/10/01/69/329100169.db2.gz YBSRTWQTVQZTSJ-ZFWWWQNUSA-N 1 2 288.351 1.337 20 30 CDEDLO CC(C)CC[N@@H+](CCC#N)CCCS(C)(=O)=O ZINC000173541998 329148930 /nfs/dbraw/zinc/14/89/30/329148930.db2.gz JPWRSRSAHVULKC-UHFFFAOYSA-N 1 2 260.403 1.683 20 30 CDEDLO CC(C)CC[N@H+](CCC#N)CCCS(C)(=O)=O ZINC000173541998 329148932 /nfs/dbraw/zinc/14/89/32/329148932.db2.gz JPWRSRSAHVULKC-UHFFFAOYSA-N 1 2 260.403 1.683 20 30 CDEDLO C[C@H](NC(=O)NCC1(C#N)CCC1)[C@H](C)[NH+]1CCOCC1 ZINC000419435554 329728837 /nfs/dbraw/zinc/72/88/37/329728837.db2.gz AFLOKZYLZWWNGH-STQMWFEESA-N 1 2 294.399 1.089 20 30 CDEDLO CC(C)Cn1nccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000572247189 329958054 /nfs/dbraw/zinc/95/80/54/329958054.db2.gz XPDCLELTZCVXII-CQSZACIVSA-N 1 2 277.372 1.113 20 30 CDEDLO C=CC[N@@H+](Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000269657773 330070243 /nfs/dbraw/zinc/07/02/43/330070243.db2.gz SHOVLYFDOCJFRU-CQSZACIVSA-N 1 2 295.404 1.870 20 30 CDEDLO C=CC[N@H+](Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000269657773 330070244 /nfs/dbraw/zinc/07/02/44/330070244.db2.gz SHOVLYFDOCJFRU-CQSZACIVSA-N 1 2 295.404 1.870 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000278799930 330120053 /nfs/dbraw/zinc/12/00/53/330120053.db2.gz ZDFUWDMZLRFFMZ-INIZCTEOSA-N 1 2 287.363 1.788 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2csc([N+](=O)[O-])c2)nn1 ZINC000424166362 330309336 /nfs/dbraw/zinc/30/93/36/330309336.db2.gz ASIWSAAMYAZART-UHFFFAOYSA-N 1 2 279.325 1.724 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000089152033 330380901 /nfs/dbraw/zinc/38/09/01/330380901.db2.gz OAEUSTVWHGHREM-GJZGRUSLSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000089152033 330380902 /nfs/dbraw/zinc/38/09/02/330380902.db2.gz OAEUSTVWHGHREM-GJZGRUSLSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000424586303 330390243 /nfs/dbraw/zinc/39/02/43/330390243.db2.gz FCIXNMBNALDNHR-GFCCVEGCSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000429915497 330556340 /nfs/dbraw/zinc/55/63/40/330556340.db2.gz CEIHZMBCKCCEFM-UHFFFAOYSA-N 1 2 268.401 1.816 20 30 CDEDLO CC(C)(CC#N)CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000458282604 331247220 /nfs/dbraw/zinc/24/72/20/331247220.db2.gz QBTRRUWVPCXKOB-UHFFFAOYSA-N 1 2 296.415 1.336 20 30 CDEDLO CC(C)(CC#N)CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000458282604 331247221 /nfs/dbraw/zinc/24/72/21/331247221.db2.gz QBTRRUWVPCXKOB-UHFFFAOYSA-N 1 2 296.415 1.336 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000459043620 331268036 /nfs/dbraw/zinc/26/80/36/331268036.db2.gz DLWSNQVRFMGSHG-RYUDHWBXSA-N 1 2 280.372 1.448 20 30 CDEDLO C=CCn1cccc1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000488383530 332003096 /nfs/dbraw/zinc/00/30/96/332003096.db2.gz FLIZMSSKOVUJHY-CYBMUJFWSA-N 1 2 277.368 1.125 20 30 CDEDLO C#CCN(C(=S)NCC[NH+]1CCOCC1)C1CCCC1 ZINC000490818823 332117588 /nfs/dbraw/zinc/11/75/88/332117588.db2.gz CGCPUJYDWCTYGF-UHFFFAOYSA-N 1 2 295.452 1.071 20 30 CDEDLO C#CCNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000490933041 332130344 /nfs/dbraw/zinc/13/03/44/332130344.db2.gz CLTLCALKRGACKI-UHFFFAOYSA-N 1 2 280.331 1.182 20 30 CDEDLO C#CC[N@H+](CC#CC)CCC(=O)NCC(=O)c1ccccc1 ZINC000490936725 332131323 /nfs/dbraw/zinc/13/13/23/332131323.db2.gz RNSQDMWXLZOQIN-UHFFFAOYSA-N 1 2 296.370 1.334 20 30 CDEDLO C#CC[N@@H+](CC#CC)CCC(=O)NCC(=O)c1ccccc1 ZINC000490936725 332131325 /nfs/dbraw/zinc/13/13/25/332131325.db2.gz RNSQDMWXLZOQIN-UHFFFAOYSA-N 1 2 296.370 1.334 20 30 CDEDLO C#C[C@H](NC(=O)NCc1[nH+]ccn1CC(C)C)C(C)C ZINC000490998673 332137954 /nfs/dbraw/zinc/13/79/54/332137954.db2.gz ZDZKZTNBPJXQDW-ZDUSSCGKSA-N 1 2 276.384 1.996 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CCCC)n2CC=C)CC1 ZINC000491099883 332149655 /nfs/dbraw/zinc/14/96/55/332149655.db2.gz DOYATNRYCFCQGE-UHFFFAOYSA-N 1 2 287.411 1.562 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000491277740 332179542 /nfs/dbraw/zinc/17/95/42/332179542.db2.gz PQOOTUCXACALFU-QWHCGFSZSA-N 1 2 274.368 1.732 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000491307108 332186741 /nfs/dbraw/zinc/18/67/41/332186741.db2.gz PEFWMZKORZATMR-GFCCVEGCSA-N 1 2 274.368 1.425 20 30 CDEDLO C#CCN(CC)C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000491416202 332207711 /nfs/dbraw/zinc/20/77/11/332207711.db2.gz JPEPSWWJGMWGAO-JTQLQIEISA-N 1 2 287.285 1.938 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000491464203 332216598 /nfs/dbraw/zinc/21/65/98/332216598.db2.gz QLTGZYAIYCFHCF-DZGCQCFKSA-N 1 2 270.332 1.811 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000491464203 332216599 /nfs/dbraw/zinc/21/65/99/332216599.db2.gz QLTGZYAIYCFHCF-DZGCQCFKSA-N 1 2 270.332 1.811 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000491486311 332220683 /nfs/dbraw/zinc/22/06/83/332220683.db2.gz VDDJHSUVVZTINT-VHSXEESVSA-N 1 2 287.285 1.936 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C[C@@](C)(c2ccccn2)CC1=O ZINC000491526062 332230538 /nfs/dbraw/zinc/23/05/38/332230538.db2.gz WVKVKMCFNWESRG-BBRMVZONSA-N 1 2 271.364 1.483 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C[C@@](C)(c2ccccn2)CC1=O ZINC000491526062 332230539 /nfs/dbraw/zinc/23/05/39/332230539.db2.gz WVKVKMCFNWESRG-BBRMVZONSA-N 1 2 271.364 1.483 20 30 CDEDLO C#C[C@@H]1COCCN1Cc1[nH+]ccn1Cc1ccccc1 ZINC000491536925 332232286 /nfs/dbraw/zinc/23/22/86/332232286.db2.gz MZRZNHSTFYQSJZ-MRXNPFEDSA-N 1 2 281.359 1.765 20 30 CDEDLO C#CCN(C(=O)NCCc1cn(C)c[nH+]1)C1CCCCC1 ZINC000491627656 332250892 /nfs/dbraw/zinc/25/08/92/332250892.db2.gz LDNNVIFBUNALEW-UHFFFAOYSA-N 1 2 288.395 1.940 20 30 CDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000491673224 332279554 /nfs/dbraw/zinc/27/95/54/332279554.db2.gz UDBSFJHODZKXPT-GJZGRUSLSA-N 1 2 260.381 1.734 20 30 CDEDLO C#CCn1ccc(C[N@H+](CCOC)CCOC(C)C)n1 ZINC000491692882 332289483 /nfs/dbraw/zinc/28/94/83/332289483.db2.gz HXLGGTNBYPOIAU-UHFFFAOYSA-N 1 2 279.384 1.390 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CCOC)CCOC(C)C)n1 ZINC000491692882 332289484 /nfs/dbraw/zinc/28/94/84/332289484.db2.gz HXLGGTNBYPOIAU-UHFFFAOYSA-N 1 2 279.384 1.390 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000491702034 332296260 /nfs/dbraw/zinc/29/62/60/332296260.db2.gz IJRZKYRBZJHBSL-SNVBAGLBSA-N 1 2 291.307 1.495 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000491702034 332296262 /nfs/dbraw/zinc/29/62/62/332296262.db2.gz IJRZKYRBZJHBSL-SNVBAGLBSA-N 1 2 291.307 1.495 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C[C@@](C)(c2ccccc2)C1=O ZINC000491749697 332326608 /nfs/dbraw/zinc/32/66/08/332326608.db2.gz ZRLCQVWSTTXAKA-GUYCJALGSA-N 1 2 284.359 1.614 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C[C@@](C)(c2ccccc2)C1=O ZINC000491749697 332326609 /nfs/dbraw/zinc/32/66/09/332326609.db2.gz ZRLCQVWSTTXAKA-GUYCJALGSA-N 1 2 284.359 1.614 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000491750519 332327053 /nfs/dbraw/zinc/32/70/53/332327053.db2.gz VHINVODTETYJFW-LLVKDONJSA-N 1 2 285.307 1.764 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000491750519 332327055 /nfs/dbraw/zinc/32/70/55/332327055.db2.gz VHINVODTETYJFW-LLVKDONJSA-N 1 2 285.307 1.764 20 30 CDEDLO C#Cc1cccc(NC(=O)CNC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492814226 332414430 /nfs/dbraw/zinc/41/44/30/332414430.db2.gz TZNVWTSZKLFFNT-SREVYHEPSA-N 1 2 294.314 1.159 20 30 CDEDLO C#CCCN(CC(F)(F)F)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492859179 332416505 /nfs/dbraw/zinc/41/65/05/332416505.db2.gz GCWGVDOONIHDRC-PLNGDYQASA-N 1 2 271.242 1.837 20 30 CDEDLO Cc1ncc(/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C)s1 ZINC000493523666 332443707 /nfs/dbraw/zinc/44/37/07/332443707.db2.gz NDEHLLXTBKFDPE-GFUIURDCSA-N 1 2 278.381 1.425 20 30 CDEDLO C#CC[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C(=O)OC ZINC000496024679 332536560 /nfs/dbraw/zinc/53/65/60/332536560.db2.gz AFOHGDMFTPDOIR-LLVKDONJSA-N 1 2 298.383 1.444 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)COc2cc(C)ccc2F)CC1 ZINC000175055310 333013611 /nfs/dbraw/zinc/01/36/11/333013611.db2.gz JYGFTKBEBKTMSO-UHFFFAOYSA-N 1 2 290.338 1.290 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000192222513 333232738 /nfs/dbraw/zinc/23/27/38/333232738.db2.gz ZKJCZMXPQOVBCN-SECBINFHSA-N 1 2 252.264 1.857 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000192222513 333232739 /nfs/dbraw/zinc/23/27/39/333232739.db2.gz ZKJCZMXPQOVBCN-SECBINFHSA-N 1 2 252.264 1.857 20 30 CDEDLO C#CC[N@@H+](C)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000192226666 333233162 /nfs/dbraw/zinc/23/31/62/333233162.db2.gz JWRHEKNTAQAPPH-AWEZNQCLSA-N 1 2 260.312 1.886 20 30 CDEDLO C#CC[N@H+](C)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000192226666 333233163 /nfs/dbraw/zinc/23/31/63/333233163.db2.gz JWRHEKNTAQAPPH-AWEZNQCLSA-N 1 2 260.312 1.886 20 30 CDEDLO Cc1ccc(C(=O)C(=O)NC2(C#N)CC[NH+](C)CC2)cc1 ZINC000524686436 333371306 /nfs/dbraw/zinc/37/13/06/333371306.db2.gz VQQWUVUPNPTVKO-UHFFFAOYSA-N 1 2 285.347 1.282 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NC[C@@H](C#N)CCC#N)C(C)(C)CO ZINC000580773934 335152940 /nfs/dbraw/zinc/15/29/40/335152940.db2.gz JRPWQXKHBPEMQX-OLZOCXBDSA-N 1 2 289.383 1.513 20 30 CDEDLO CC[C@@H](C#N)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000547491377 334093744 /nfs/dbraw/zinc/09/37/44/334093744.db2.gz YKHIEXJQCPWUOQ-NSHDSACASA-N 1 2 256.309 1.604 20 30 CDEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCCN(C)C1=O ZINC000552006507 334273443 /nfs/dbraw/zinc/27/34/43/334273443.db2.gz FTNWSKGXPLXWSE-OAHLLOKOSA-N 1 2 292.379 1.771 20 30 CDEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCCN(C)C1=O ZINC000552006507 334273444 /nfs/dbraw/zinc/27/34/44/334273444.db2.gz FTNWSKGXPLXWSE-OAHLLOKOSA-N 1 2 292.379 1.771 20 30 CDEDLO C[C@H](C#N)CNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000552224863 334305258 /nfs/dbraw/zinc/30/52/58/334305258.db2.gz XDELMSSPJPCNNN-SECBINFHSA-N 1 2 259.300 1.239 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(F)cc1F ZINC000564697813 334516617 /nfs/dbraw/zinc/51/66/17/334516617.db2.gz XJDYELAKZDGVSC-ZDUSSCGKSA-N 1 2 267.279 1.538 20 30 CDEDLO CC1(C#N)CN(Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000565900502 334607561 /nfs/dbraw/zinc/60/75/61/334607561.db2.gz ZMALUWREZDKXGV-UHFFFAOYSA-N 1 2 258.247 1.791 20 30 CDEDLO CC(C)n1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)n1 ZINC000577066909 335294719 /nfs/dbraw/zinc/29/47/19/335294719.db2.gz RIXYAKVIHJSQKK-CYBMUJFWSA-N 1 2 263.345 1.038 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000580647835 335310911 /nfs/dbraw/zinc/31/09/11/335310911.db2.gz XURVQINJPNNTMM-FZMZJTMJSA-N 1 2 261.300 1.892 20 30 CDEDLO N#CCCC1CCN(C(=O)[C@@H]([NH3+])c2cscn2)CC1 ZINC000578751207 335670102 /nfs/dbraw/zinc/67/01/02/335670102.db2.gz JJBXITKKAMSJQB-LBPRGKRZSA-N 1 2 278.381 1.685 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H](CC)OC2CCCC2)C1 ZINC001754583227 1159298794 /nfs/dbraw/zinc/29/87/94/1159298794.db2.gz QOHSFKJIKBTPFU-INIZCTEOSA-N 1 2 292.423 1.890 20 30 CDEDLO C=C[C@@](C)(O)C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000668448788 482442002 /nfs/dbraw/zinc/44/20/02/482442002.db2.gz VXOBKMSOIKWFMU-CQSZACIVSA-N 1 2 259.309 1.196 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN(CC)[C@@H](C)C1 ZINC000677194295 482579576 /nfs/dbraw/zinc/57/95/76/482579576.db2.gz GUOFNARCCHQZPD-LSDHHAIUSA-N 1 2 279.428 1.602 20 30 CDEDLO C=C[C@@H](O)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000667112967 483094541 /nfs/dbraw/zinc/09/45/41/483094541.db2.gz YHWMERNPXQVTIQ-CQSZACIVSA-N 1 2 276.336 1.004 20 30 CDEDLO C=CCN(CCOC)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682970642 483392194 /nfs/dbraw/zinc/39/21/94/483392194.db2.gz QDGBVZIZHLXETR-LBPRGKRZSA-N 1 2 263.341 1.107 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](C)OCC2CC2)CC1 ZINC001112673801 1162050157 /nfs/dbraw/zinc/05/01/57/1162050157.db2.gz CARCIDPYWDXOFM-CQSZACIVSA-N 1 2 296.411 1.148 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](OC)[C@H](C)CC)CC1 ZINC001113043768 1162083362 /nfs/dbraw/zinc/08/33/62/1162083362.db2.gz CWBWUFZOXSBUIG-KGLIPLIRSA-N 1 2 268.401 1.768 20 30 CDEDLO C#C[C@@H](C)[NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000184692418 518351490 /nfs/dbraw/zinc/35/14/90/518351490.db2.gz ODLFNQPNKBDVPB-QMTHXVAHSA-N 1 2 260.312 1.757 20 30 CDEDLO O=C(NCc1ccn2cc[nH+]c2c1)N1CC[C@H](CCO)C1 ZINC000330028819 534374014 /nfs/dbraw/zinc/37/40/14/534374014.db2.gz PFRRJTJYUPYFJK-GFCCVEGCSA-N 1 2 288.351 1.453 20 30 CDEDLO C=CC[N@@H+](Cc1ccc(CO)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000182873193 518778320 /nfs/dbraw/zinc/77/83/20/518778320.db2.gz BHADQKBACUHRCU-OAHLLOKOSA-N 1 2 295.404 1.354 20 30 CDEDLO C=CC[N@H+](Cc1ccc(CO)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000182873193 518778328 /nfs/dbraw/zinc/77/83/28/518778328.db2.gz BHADQKBACUHRCU-OAHLLOKOSA-N 1 2 295.404 1.354 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338586614 522043359 /nfs/dbraw/zinc/04/33/59/522043359.db2.gz ICERRURCHTVJGV-HNNXBMFYSA-N 1 2 294.326 1.352 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@](F)(CO)C1 ZINC000338586614 522043363 /nfs/dbraw/zinc/04/33/63/522043363.db2.gz ICERRURCHTVJGV-HNNXBMFYSA-N 1 2 294.326 1.352 20 30 CDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000045162081 525919805 /nfs/dbraw/zinc/91/98/05/525919805.db2.gz JTQNGHLZZQEFJL-CYBMUJFWSA-N 1 2 298.346 1.729 20 30 CDEDLO C[C@H](C#N)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000049424781 525920306 /nfs/dbraw/zinc/92/03/06/525920306.db2.gz UYDOJWAUIYZFAU-LLVKDONJSA-N 1 2 269.308 1.499 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3cccc(F)c3C#N)C[C@@H]21 ZINC000428408794 536445796 /nfs/dbraw/zinc/44/57/96/536445796.db2.gz ZBCBBSFRZAERPO-GJZGRUSLSA-N 1 2 275.327 1.212 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3cccc(F)c3C#N)C[C@@H]21 ZINC000428408794 536445798 /nfs/dbraw/zinc/44/57/98/536445798.db2.gz ZBCBBSFRZAERPO-GJZGRUSLSA-N 1 2 275.327 1.212 20 30 CDEDLO N#Cc1cc(C[NH+]2CCN(c3nccs3)CC2)ccn1 ZINC000068765458 526549560 /nfs/dbraw/zinc/54/95/60/526549560.db2.gz PWSJLXSETLJTLI-UHFFFAOYSA-N 1 2 285.376 1.732 20 30 CDEDLO N#Cc1cccc(C[NH+]2CCN([C@@H]3CCOC3)CC2)c1 ZINC000366547073 526704305 /nfs/dbraw/zinc/70/43/05/526704305.db2.gz YROOCNKMGUMVMN-MRXNPFEDSA-N 1 2 271.364 1.465 20 30 CDEDLO Cc1onc(CC(=O)Nc2cc[nH+]c(C)c2)c1C#N ZINC000354482174 526856842 /nfs/dbraw/zinc/85/68/42/526856842.db2.gz UFYBZALMNBOLEK-UHFFFAOYSA-N 1 2 256.265 1.161 20 30 CDEDLO C=CCCCCCN(C)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000352276376 527125167 /nfs/dbraw/zinc/12/51/67/527125167.db2.gz UQSIXVFVYLSLHX-OAHLLOKOSA-N 1 2 281.444 1.827 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000347380288 527373848 /nfs/dbraw/zinc/37/38/48/527373848.db2.gz IMJVDMNWGHQLLY-HNNXBMFYSA-N 1 2 298.427 1.537 20 30 CDEDLO CC1=CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330294652 528109030 /nfs/dbraw/zinc/10/90/30/528109030.db2.gz ITNBCYJDTBPVFY-GFCCVEGCSA-N 1 2 260.341 1.764 20 30 CDEDLO CC1=CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330294652 528109037 /nfs/dbraw/zinc/10/90/37/528109037.db2.gz ITNBCYJDTBPVFY-GFCCVEGCSA-N 1 2 260.341 1.764 20 30 CDEDLO CC1=CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330294653 528109487 /nfs/dbraw/zinc/10/94/87/528109487.db2.gz ITNBCYJDTBPVFY-LBPRGKRZSA-N 1 2 260.341 1.764 20 30 CDEDLO CC1=CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330294653 528109491 /nfs/dbraw/zinc/10/94/91/528109491.db2.gz ITNBCYJDTBPVFY-LBPRGKRZSA-N 1 2 260.341 1.764 20 30 CDEDLO CC1(C)C[N@H+](CC(=O)NCC#N)[C@@H]1c1cccs1 ZINC000347610788 529112693 /nfs/dbraw/zinc/11/26/93/529112693.db2.gz ZNJVRIYDTDMLFM-GFCCVEGCSA-N 1 2 263.366 1.771 20 30 CDEDLO CC1(C)C[N@@H+](CC(=O)NCC#N)[C@@H]1c1cccs1 ZINC000347610788 529112696 /nfs/dbraw/zinc/11/26/96/529112696.db2.gz ZNJVRIYDTDMLFM-GFCCVEGCSA-N 1 2 263.366 1.771 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000352279915 529351311 /nfs/dbraw/zinc/35/13/11/529351311.db2.gz FUBGFQLJQTXPRX-MBNYWOFBSA-N 1 2 267.373 1.152 20 30 CDEDLO COc1cc(C[N@@H+]2CCCN(C)C(=O)C2)ccc1C#N ZINC000234969880 536750590 /nfs/dbraw/zinc/75/05/90/536750590.db2.gz GVUGPLLICWPAAD-UHFFFAOYSA-N 1 2 273.336 1.231 20 30 CDEDLO COc1cc(C[N@H+]2CCCN(C)C(=O)C2)ccc1C#N ZINC000234969880 536750592 /nfs/dbraw/zinc/75/05/92/536750592.db2.gz GVUGPLLICWPAAD-UHFFFAOYSA-N 1 2 273.336 1.231 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc1 ZINC000728865304 574665103 /nfs/dbraw/zinc/66/51/03/574665103.db2.gz FVDVEHAEFFOQNL-CYBMUJFWSA-N 1 2 280.331 1.806 20 30 CDEDLO C=C(C)CN(CC)C(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000741147830 574987999 /nfs/dbraw/zinc/98/79/99/574987999.db2.gz WIZKKLDBENJQNR-CYBMUJFWSA-N 1 2 282.384 1.439 20 30 CDEDLO C=C(C)CN(CC)C(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000741147830 574988001 /nfs/dbraw/zinc/98/80/01/574988001.db2.gz WIZKKLDBENJQNR-CYBMUJFWSA-N 1 2 282.384 1.439 20 30 CDEDLO C#Cc1ccc(C(=O)NCc2cn3cccc(C)c3[nH+]2)cn1 ZINC000732091911 575079128 /nfs/dbraw/zinc/07/91/28/575079128.db2.gz BMHYEGYUUKVRJP-UHFFFAOYSA-N 1 2 290.326 1.949 20 30 CDEDLO N#CC1(NC(=O)c2cccc3[nH+]ccn32)CCOCC1 ZINC000770424706 575448628 /nfs/dbraw/zinc/44/86/28/575448628.db2.gz ALPFRWMUHXMOMC-UHFFFAOYSA-N 1 2 270.292 1.137 20 30 CDEDLO COCC#CC[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000772323663 575685493 /nfs/dbraw/zinc/68/54/93/575685493.db2.gz JHJKBVXJGZFRMC-UONOGXRCSA-N 1 2 296.411 1.966 20 30 CDEDLO COCC#CC[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000772323663 575685495 /nfs/dbraw/zinc/68/54/95/575685495.db2.gz JHJKBVXJGZFRMC-UONOGXRCSA-N 1 2 296.411 1.966 20 30 CDEDLO C[N@H+](CC(=O)[C@H](C#N)c1ccccn1)[C@H]1CCSC1 ZINC000773973502 575846608 /nfs/dbraw/zinc/84/66/08/575846608.db2.gz FMZMSULWUDTAOK-NWDGAFQWSA-N 1 2 275.377 1.695 20 30 CDEDLO C[N@@H+](CC(=O)[C@H](C#N)c1ccccn1)[C@H]1CCSC1 ZINC000773973502 575846609 /nfs/dbraw/zinc/84/66/09/575846609.db2.gz FMZMSULWUDTAOK-NWDGAFQWSA-N 1 2 275.377 1.695 20 30 CDEDLO C#CC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000766037913 576073389 /nfs/dbraw/zinc/07/33/89/576073389.db2.gz HWUIPBJCLDDSJI-DZGCQCFKSA-N 1 2 292.766 1.461 20 30 CDEDLO C#CC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000766037913 576073392 /nfs/dbraw/zinc/07/33/92/576073392.db2.gz HWUIPBJCLDDSJI-DZGCQCFKSA-N 1 2 292.766 1.461 20 30 CDEDLO C#CC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000766037918 576073498 /nfs/dbraw/zinc/07/34/98/576073498.db2.gz HWUIPBJCLDDSJI-ZFWWWQNUSA-N 1 2 292.766 1.461 20 30 CDEDLO C#CC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000766037918 576073499 /nfs/dbraw/zinc/07/34/99/576073499.db2.gz HWUIPBJCLDDSJI-ZFWWWQNUSA-N 1 2 292.766 1.461 20 30 CDEDLO C#CCCO[NH+]=C(N)c1ccc(-n2nc(C)cc2C)nc1 ZINC000760351147 576479455 /nfs/dbraw/zinc/47/94/55/576479455.db2.gz MZJBROZZJNKBMG-UHFFFAOYSA-N 1 2 283.335 1.754 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000760454913 576485571 /nfs/dbraw/zinc/48/55/71/576485571.db2.gz NEQBYJJZMLYZDL-CQSZACIVSA-N 1 2 289.379 1.819 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000760454913 576485574 /nfs/dbraw/zinc/48/55/74/576485574.db2.gz NEQBYJJZMLYZDL-CQSZACIVSA-N 1 2 289.379 1.819 20 30 CDEDLO C=CCN1CC(=O)N(Cc2ccn3cc[nH+]c3c2)C1=O ZINC000761351397 576570756 /nfs/dbraw/zinc/57/07/56/576570756.db2.gz NAJPBHWABZZFQR-UHFFFAOYSA-N 1 2 270.292 1.285 20 30 CDEDLO CCc1nc2ccccc2n1[NH+]=C1CCN(C)C1=O ZINC000761787154 576593724 /nfs/dbraw/zinc/59/37/24/576593724.db2.gz XAOVILLHCNKGRM-UHFFFAOYSA-N 1 2 256.309 1.665 20 30 CDEDLO Cc1ccc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)nc1 ZINC000761857079 576598255 /nfs/dbraw/zinc/59/82/55/576598255.db2.gz GWJDAHKGJCUNDW-UHFFFAOYSA-N 1 2 279.307 1.812 20 30 CDEDLO Cc1n[nH]cc1CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761858687 576598518 /nfs/dbraw/zinc/59/85/18/576598518.db2.gz XCECCZHHEBEDGC-UHFFFAOYSA-N 1 2 268.284 1.140 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Cc2ccc(C)s2)CC1 ZINC000744419290 576680096 /nfs/dbraw/zinc/68/00/96/576680096.db2.gz XGROEHIQHDGZFX-UHFFFAOYSA-N 1 2 262.378 1.376 20 30 CDEDLO COCC#CC[N@H+]1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000753863275 576863222 /nfs/dbraw/zinc/86/32/22/576863222.db2.gz PJBSZYZHEDRGDA-ZDUSSCGKSA-N 1 2 291.347 1.203 20 30 CDEDLO COCC#CC[N@@H+]1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000753863275 576863224 /nfs/dbraw/zinc/86/32/24/576863224.db2.gz PJBSZYZHEDRGDA-ZDUSSCGKSA-N 1 2 291.347 1.203 20 30 CDEDLO COC[C@@]1(C)CC(=O)N(C[N@H+](CCC#N)CC(C)C)C1 ZINC000747455257 576871215 /nfs/dbraw/zinc/87/12/15/576871215.db2.gz YFRNMUNCBUMICP-HNNXBMFYSA-N 1 2 281.400 1.701 20 30 CDEDLO COC[C@@]1(C)CC(=O)N(C[N@@H+](CCC#N)CC(C)C)C1 ZINC000747455257 576871216 /nfs/dbraw/zinc/87/12/16/576871216.db2.gz YFRNMUNCBUMICP-HNNXBMFYSA-N 1 2 281.400 1.701 20 30 CDEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1sccc1C(N)=O ZINC000754013888 576873471 /nfs/dbraw/zinc/87/34/71/576873471.db2.gz JEGRWEQUYHULOR-JTQLQIEISA-N 1 2 293.392 1.848 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]Nc1cc(F)c(F)c(F)c1 ZINC000747641822 576878597 /nfs/dbraw/zinc/87/85/97/576878597.db2.gz GAEVVYMRQGDQJA-UHFFFAOYSA-N 1 2 297.240 1.931 20 30 CDEDLO CO[C@H](C)C(N)=[NH+]O[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000747868102 576887953 /nfs/dbraw/zinc/88/79/53/576887953.db2.gz RGHMQCDMDPMBLX-NXEZZACHSA-N 1 2 290.323 1.419 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CC[C@H](COCC)C2)c1=S ZINC000748094940 576895489 /nfs/dbraw/zinc/89/54/89/576895489.db2.gz OSAQIHFSTWIRTD-NSHDSACASA-N 1 2 283.401 1.311 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CC[C@H](COCC)C2)c1=S ZINC000748094940 576895491 /nfs/dbraw/zinc/89/54/91/576895491.db2.gz OSAQIHFSTWIRTD-NSHDSACASA-N 1 2 283.401 1.311 20 30 CDEDLO COCCON=C(C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000748792297 576925385 /nfs/dbraw/zinc/92/53/85/576925385.db2.gz XKDZKURDWRSJRJ-MRXNPFEDSA-N 1 2 292.379 1.926 20 30 CDEDLO COCCON=C(C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000748792297 576925386 /nfs/dbraw/zinc/92/53/86/576925386.db2.gz XKDZKURDWRSJRJ-MRXNPFEDSA-N 1 2 292.379 1.926 20 30 CDEDLO CC(=NN1CC[NH+](C)CC1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000749602834 576954585 /nfs/dbraw/zinc/95/45/85/576954585.db2.gz BQBJESRVMDILBY-UHFFFAOYSA-N 1 2 278.312 1.272 20 30 CDEDLO CCN(CC)C(=O)[C@@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000749787225 576962118 /nfs/dbraw/zinc/96/21/18/576962118.db2.gz GXTCGNNZYTUIMV-SNVBAGLBSA-N 1 2 281.331 1.720 20 30 CDEDLO C=CCCOCC(=O)OCc1ccc(-n2cc[nH+]c2)nc1 ZINC000750334475 576984884 /nfs/dbraw/zinc/98/48/84/576984884.db2.gz BYWALEKUXTXUAM-UHFFFAOYSA-N 1 2 287.319 1.903 20 30 CDEDLO CCOc1ccc(/C=N/CC[N@@H+]2CCO[C@@H](C)C2)c(O)c1 ZINC000750950351 577018456 /nfs/dbraw/zinc/01/84/56/577018456.db2.gz SXWLPEWUQZMVIE-HNEYUBDGSA-N 1 2 292.379 1.931 20 30 CDEDLO CCOc1ccc(/C=N/CC[N@H+]2CCO[C@@H](C)C2)c(O)c1 ZINC000750950351 577018458 /nfs/dbraw/zinc/01/84/58/577018458.db2.gz SXWLPEWUQZMVIE-HNEYUBDGSA-N 1 2 292.379 1.931 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)c1ccc(OC)c(F)c1 ZINC000758202671 577081355 /nfs/dbraw/zinc/08/13/55/577081355.db2.gz ZHQMWIFGDVJDTL-AWEZNQCLSA-N 1 2 290.338 1.895 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)c1ccc(OC)c(F)c1 ZINC000758202671 577081357 /nfs/dbraw/zinc/08/13/57/577081357.db2.gz ZHQMWIFGDVJDTL-AWEZNQCLSA-N 1 2 290.338 1.895 20 30 CDEDLO C#CCNC(=S)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000758237146 577087889 /nfs/dbraw/zinc/08/78/89/577087889.db2.gz XVSAAJNXQNHUJB-CYBMUJFWSA-N 1 2 288.420 1.268 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000752108545 577089424 /nfs/dbraw/zinc/08/94/24/577089424.db2.gz UPBXCRRAWJKALF-GFCCVEGCSA-N 1 2 292.766 1.543 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000752108545 577089426 /nfs/dbraw/zinc/08/94/26/577089426.db2.gz UPBXCRRAWJKALF-GFCCVEGCSA-N 1 2 292.766 1.543 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCc2c(sc(N)c2-c2nn[nH]n2)C1 ZINC001602768067 1175394965 /nfs/dbraw/zinc/39/49/65/1175394965.db2.gz QLWKPBRVRISMHF-UHFFFAOYSA-N 1 2 296.787 1.621 20 30 CDEDLO C=C(Cl)C[N@H+]1CCc2c(sc(N)c2-c2nn[nH]n2)C1 ZINC001602768067 1175394970 /nfs/dbraw/zinc/39/49/70/1175394970.db2.gz QLWKPBRVRISMHF-UHFFFAOYSA-N 1 2 296.787 1.621 20 30 CDEDLO C=CC[C@H]1CCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000890546655 617202954 /nfs/dbraw/zinc/20/29/54/617202954.db2.gz QVUZUNRCJJFYLQ-ZNMIVQPWSA-N 1 2 294.395 1.043 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cccc3c2OCC3)C1 ZINC000952322700 612992555 /nfs/dbraw/zinc/99/25/55/612992555.db2.gz JZBMXZIAECXAET-UHFFFAOYSA-N 1 2 298.386 1.791 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2ncsc2C2CC2)CC1 ZINC000981947927 613160608 /nfs/dbraw/zinc/16/06/08/613160608.db2.gz OVRWMWLMXIQYMJ-UHFFFAOYSA-N 1 2 289.404 1.802 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2ncsc2C2CC2)CC1 ZINC000981947927 613160610 /nfs/dbraw/zinc/16/06/10/613160610.db2.gz OVRWMWLMXIQYMJ-UHFFFAOYSA-N 1 2 289.404 1.802 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[NH+](CC(=C)C)CC2)cn1 ZINC000957381149 613169922 /nfs/dbraw/zinc/16/99/22/613169922.db2.gz HXVAJGMBVKHWLA-UHFFFAOYSA-N 1 2 269.348 1.397 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccncc3)CC2)C1 ZINC000949277098 613210559 /nfs/dbraw/zinc/21/05/59/613210559.db2.gz YGLAIUFHYYXAML-UHFFFAOYSA-N 1 2 299.374 1.022 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccncc3)CC2)C1 ZINC000949277098 613210560 /nfs/dbraw/zinc/21/05/60/613210560.db2.gz YGLAIUFHYYXAML-UHFFFAOYSA-N 1 2 299.374 1.022 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(F)=C(C)C)C2)C1 ZINC000972335913 613211977 /nfs/dbraw/zinc/21/19/77/613211977.db2.gz LWGJWWDOJZUKAC-OAHLLOKOSA-N 1 2 280.343 1.186 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(F)=C(C)C)C2)C1 ZINC000972335913 613211978 /nfs/dbraw/zinc/21/19/78/613211978.db2.gz LWGJWWDOJZUKAC-OAHLLOKOSA-N 1 2 280.343 1.186 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H](C)CO2)C1 ZINC000950919936 613295087 /nfs/dbraw/zinc/29/50/87/613295087.db2.gz OWAGLMDXSJRWGS-JSGCOSHPSA-N 1 2 266.385 1.520 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCOC[C@H]2C)C1 ZINC000951700900 613295522 /nfs/dbraw/zinc/29/55/22/613295522.db2.gz OPGSNTXQCXLYPR-HIFRSBDPSA-N 1 2 280.412 1.768 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)C2(CC)CCOCC2)CC1 ZINC000952445608 613315378 /nfs/dbraw/zinc/31/53/78/613315378.db2.gz ZMXRIPJCYNACDS-UHFFFAOYSA-N 1 2 280.412 1.914 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(C)nc(C)n2)CC1 ZINC000951727408 613320044 /nfs/dbraw/zinc/32/00/44/613320044.db2.gz KRHHJJVHCPSRPD-UHFFFAOYSA-N 1 2 274.368 1.427 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc(F)cn2)CC1 ZINC000948808357 613320882 /nfs/dbraw/zinc/32/08/82/613320882.db2.gz BQQGMCNPCFQMOA-UHFFFAOYSA-N 1 2 263.316 1.555 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc(N(C)C)cn2)CC1 ZINC000957826813 613320894 /nfs/dbraw/zinc/32/08/94/613320894.db2.gz SEURTDRRDBFGFN-UHFFFAOYSA-N 1 2 288.395 1.482 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccn(C(C)(C)C)n2)CC1 ZINC000948607453 613321262 /nfs/dbraw/zinc/32/12/62/613321262.db2.gz OVAJANDMSVPERM-UHFFFAOYSA-N 1 2 290.411 1.972 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccnc(C)c2)CC1 ZINC000952350202 613321302 /nfs/dbraw/zinc/32/13/02/613321302.db2.gz RMJASKCYOLOUMS-UHFFFAOYSA-N 1 2 259.353 1.724 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC000968172592 613333020 /nfs/dbraw/zinc/33/30/20/613333020.db2.gz GMQOFBNLZAUKCD-RYUDHWBXSA-N 1 2 292.383 1.142 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC000968172592 613333022 /nfs/dbraw/zinc/33/30/22/613333022.db2.gz GMQOFBNLZAUKCD-RYUDHWBXSA-N 1 2 292.383 1.142 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2nc(C)c[nH]2)C1 ZINC000970561025 613372034 /nfs/dbraw/zinc/37/20/34/613372034.db2.gz RWOFAHVVTGHBLA-SNVBAGLBSA-N 1 2 282.775 1.521 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2nccc(C)n2)C1 ZINC000969587324 613372537 /nfs/dbraw/zinc/37/25/37/613372537.db2.gz FAZDYOVCCZRLCH-NSHDSACASA-N 1 2 294.786 1.588 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cncnc2)C1 ZINC000965936815 613375869 /nfs/dbraw/zinc/37/58/69/613375869.db2.gz VOOMEZLDACMJJW-ZWNOBZJWSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cncnc2)C1 ZINC000965936815 613375870 /nfs/dbraw/zinc/37/58/70/613375870.db2.gz VOOMEZLDACMJJW-ZWNOBZJWSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cncnc2)C1 ZINC000965936812 613377739 /nfs/dbraw/zinc/37/77/39/613377739.db2.gz VOOMEZLDACMJJW-GWCFXTLKSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cncnc2)C1 ZINC000965936812 613377740 /nfs/dbraw/zinc/37/77/40/613377740.db2.gz VOOMEZLDACMJJW-GWCFXTLKSA-N 1 2 294.786 1.669 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC000969832347 613475178 /nfs/dbraw/zinc/47/51/78/613475178.db2.gz QLPJQNNQJHNDPU-RISCZKNCSA-N 1 2 294.424 1.831 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2cc(OC)cs2)CC1 ZINC000981735442 613554252 /nfs/dbraw/zinc/55/42/52/613554252.db2.gz IAXMEXVYJRWXAB-UHFFFAOYSA-N 1 2 292.404 1.928 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2cc(OC)cs2)CC1 ZINC000981735442 613554255 /nfs/dbraw/zinc/55/42/55/613554255.db2.gz IAXMEXVYJRWXAB-UHFFFAOYSA-N 1 2 292.404 1.928 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2nccs2)C1 ZINC000968463916 613576919 /nfs/dbraw/zinc/57/69/19/613576919.db2.gz GDHURNYVXJJLKM-VXGBXAGGSA-N 1 2 277.393 1.607 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2nccs2)C1 ZINC000968463916 613576921 /nfs/dbraw/zinc/57/69/21/613576921.db2.gz GDHURNYVXJJLKM-VXGBXAGGSA-N 1 2 277.393 1.607 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCO[C@@H]2C)C1 ZINC000957043455 613655497 /nfs/dbraw/zinc/65/54/97/613655497.db2.gz AHTMUTXULPIKJY-YPMHNXCESA-N 1 2 252.358 1.130 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)NCCCn1cc[nH+]c1 ZINC000891429095 617390630 /nfs/dbraw/zinc/39/06/30/617390630.db2.gz KFWVMKZIQJEOMU-CYBMUJFWSA-N 1 2 260.341 1.471 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCn2cc(Cl)cn2)CC1 ZINC000957758400 613708120 /nfs/dbraw/zinc/70/81/20/613708120.db2.gz VZUPTZIBLUHVFY-UHFFFAOYSA-N 1 2 282.775 1.257 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)COc2cccc(CC)c2)CC1 ZINC000957559694 613708130 /nfs/dbraw/zinc/70/81/30/613708130.db2.gz LEFCEYCWZKFMHZ-UHFFFAOYSA-N 1 2 288.391 1.958 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)C[C@H]2CCCO2)CC1 ZINC000957845101 613710127 /nfs/dbraw/zinc/71/01/27/613710127.db2.gz AWHCFSNKVRGOJW-UONOGXRCSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@](C)(OC)c2ccccc2)CC1 ZINC000957368417 613714101 /nfs/dbraw/zinc/71/41/01/613714101.db2.gz PBMHKYRGRYWNKD-QGZVFWFLSA-N 1 2 288.391 1.878 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(CCC)[nH]c(=O)c2)CC1 ZINC000951568507 613715021 /nfs/dbraw/zinc/71/50/21/613715021.db2.gz RHHZIHCWDOYWPE-UHFFFAOYSA-N 1 2 289.379 1.684 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3c(c2)N(C)CC3)CC1 ZINC000957509550 613716310 /nfs/dbraw/zinc/71/63/10/613716310.db2.gz YOMPKJNKMZZXFI-UHFFFAOYSA-N 1 2 285.391 1.623 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(COC)cc2)CC1 ZINC000957610361 613716491 /nfs/dbraw/zinc/71/64/91/613716491.db2.gz QQAPFDSKCCYVFA-UHFFFAOYSA-N 1 2 274.364 1.777 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1 ZINC000949069429 613718428 /nfs/dbraw/zinc/71/84/28/613718428.db2.gz FAXHSRBLQNHOEN-UHFFFAOYSA-N 1 2 274.368 1.232 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc[nH]c3)C2)C1 ZINC000972392300 613724695 /nfs/dbraw/zinc/72/46/95/613724695.db2.gz VUFKETVFZPFBQC-HNNXBMFYSA-N 1 2 275.352 1.118 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc[nH]c3)C2)C1 ZINC000972392300 613724696 /nfs/dbraw/zinc/72/46/96/613724696.db2.gz VUFKETVFZPFBQC-HNNXBMFYSA-N 1 2 275.352 1.118 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccns3)C2)C1 ZINC000972402983 613727169 /nfs/dbraw/zinc/72/71/69/613727169.db2.gz YVSAVKRFAAIKNX-CQSZACIVSA-N 1 2 293.392 1.246 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccns3)C2)C1 ZINC000972402983 613727170 /nfs/dbraw/zinc/72/71/70/613727170.db2.gz YVSAVKRFAAIKNX-CQSZACIVSA-N 1 2 293.392 1.246 20 30 CDEDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1csc(C#N)c1 ZINC000891629942 617513201 /nfs/dbraw/zinc/51/32/01/617513201.db2.gz ZQRUKYYFOVZHPB-GFCCVEGCSA-N 1 2 263.366 1.720 20 30 CDEDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1csc(C#N)c1 ZINC000891629942 617513205 /nfs/dbraw/zinc/51/32/05/617513205.db2.gz ZQRUKYYFOVZHPB-GFCCVEGCSA-N 1 2 263.366 1.720 20 30 CDEDLO CCn1ncc(CNc2[nH+]cccc2OCCCC#N)n1 ZINC000840883000 617520000 /nfs/dbraw/zinc/52/00/00/617520000.db2.gz RCEBMDSCDGTCJA-UHFFFAOYSA-N 1 2 286.339 1.988 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CO)c(Br)c1 ZINC000934013795 617844278 /nfs/dbraw/zinc/84/42/78/617844278.db2.gz BLEYZHQDDRJUQS-NSHDSACASA-N 1 2 281.153 1.887 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CO)c(Br)c1 ZINC000934013795 617844280 /nfs/dbraw/zinc/84/42/80/617844280.db2.gz BLEYZHQDDRJUQS-NSHDSACASA-N 1 2 281.153 1.887 20 30 CDEDLO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1nc(N(C)C)no1 ZINC000893674573 617826054 /nfs/dbraw/zinc/82/60/54/617826054.db2.gz JVRACXBNNQIUNC-UHFFFAOYSA-N 1 2 285.351 1.914 20 30 CDEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@H]1CO ZINC000934024360 617845531 /nfs/dbraw/zinc/84/55/31/617845531.db2.gz QRQCWTFGTWGSQX-LBPRGKRZSA-N 1 2 266.728 1.809 20 30 CDEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@H]1CO ZINC000934024360 617845533 /nfs/dbraw/zinc/84/55/33/617845533.db2.gz QRQCWTFGTWGSQX-LBPRGKRZSA-N 1 2 266.728 1.809 20 30 CDEDLO COC[C@@H](C)NN=C1CCN(c2cccc[nH+]2)CC1 ZINC000777895000 618192753 /nfs/dbraw/zinc/19/27/53/618192753.db2.gz REGRYMSLOXYRQH-GFCCVEGCSA-N 1 2 262.357 1.662 20 30 CDEDLO COC(=O)[C@@H]1[C@H](C[N@H+](CCC#N)C(C)C)C1(F)F ZINC000893958959 618224398 /nfs/dbraw/zinc/22/43/98/618224398.db2.gz GLYWEXANBBDPAD-UWVGGRQHSA-N 1 2 260.284 1.665 20 30 CDEDLO COC(=O)[C@@H]1[C@H](C[N@@H+](CCC#N)C(C)C)C1(F)F ZINC000893958959 618224404 /nfs/dbraw/zinc/22/44/04/618224404.db2.gz GLYWEXANBBDPAD-UWVGGRQHSA-N 1 2 260.284 1.665 20 30 CDEDLO COc1c[nH]c(CO)c(C[N@H+](CCC#N)CC2CC2)c1=O ZINC000902114914 618594441 /nfs/dbraw/zinc/59/44/41/618594441.db2.gz UGJIAFQORPCGGI-UHFFFAOYSA-N 1 2 291.351 1.001 20 30 CDEDLO COc1c[nH]c(CO)c(C[N@@H+](CCC#N)CC2CC2)c1=O ZINC000902114914 618594450 /nfs/dbraw/zinc/59/44/50/618594450.db2.gz UGJIAFQORPCGGI-UHFFFAOYSA-N 1 2 291.351 1.001 20 30 CDEDLO C[C@H](Nc1nc(C#N)c(Cl)s1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000895246717 619492189 /nfs/dbraw/zinc/49/21/89/619492189.db2.gz PWVCRJCRPFKGRH-WPRPVWTQSA-N 1 2 299.831 1.714 20 30 CDEDLO C[C@H](Nc1nc(C#N)c(Cl)s1)[C@@H]1CN(C)CC[N@H+]1C ZINC000895246717 619492191 /nfs/dbraw/zinc/49/21/91/619492191.db2.gz PWVCRJCRPFKGRH-WPRPVWTQSA-N 1 2 299.831 1.714 20 30 CDEDLO Cc1ccnc(N2CC[NH+](Cc3cn[nH]c3)CC2)c1C#N ZINC000895960501 619917113 /nfs/dbraw/zinc/91/71/13/619917113.db2.gz UEVBXSFKLGTWHV-UHFFFAOYSA-N 1 2 282.351 1.307 20 30 CDEDLO CCn1c[nH+]c2c1CCN(c1ncc(C#N)cc1F)C2 ZINC000896655311 620185178 /nfs/dbraw/zinc/18/51/78/620185178.db2.gz VXUFUTXUODILDS-UHFFFAOYSA-N 1 2 271.299 1.871 20 30 CDEDLO C[C@H](C#N)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000896741971 620220450 /nfs/dbraw/zinc/22/04/50/620220450.db2.gz JAQUQOWAUFMBCI-BXKDBHETSA-N 1 2 261.329 1.066 20 30 CDEDLO C[C@H](C#N)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000896741971 620220454 /nfs/dbraw/zinc/22/04/54/620220454.db2.gz JAQUQOWAUFMBCI-BXKDBHETSA-N 1 2 261.329 1.066 20 30 CDEDLO Cc1[nH]c(CNC(=O)c2ccc(C#N)s2)[nH+]c1C ZINC000896916264 620306352 /nfs/dbraw/zinc/30/63/52/620306352.db2.gz VRUZTBOMXCACGM-UHFFFAOYSA-N 1 2 260.322 1.890 20 30 CDEDLO C=C(C)COCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000896994610 620336030 /nfs/dbraw/zinc/33/60/30/620336030.db2.gz DWYZORIEFOVZGV-AWEZNQCLSA-N 1 2 292.383 1.499 20 30 CDEDLO C=C(C)COCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000896994610 620336033 /nfs/dbraw/zinc/33/60/33/620336033.db2.gz DWYZORIEFOVZGV-AWEZNQCLSA-N 1 2 292.383 1.499 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899062661 622039269 /nfs/dbraw/zinc/03/92/69/622039269.db2.gz WNIUCSRNCLEHCY-AWEZNQCLSA-N 1 2 282.384 1.154 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899062661 622039272 /nfs/dbraw/zinc/03/92/72/622039272.db2.gz WNIUCSRNCLEHCY-AWEZNQCLSA-N 1 2 282.384 1.154 20 30 CDEDLO C#CCCCc1nnc(NCCC[NH+]2CCOCC2)o1 ZINC000899254104 622119322 /nfs/dbraw/zinc/11/93/22/622119322.db2.gz OFSRCSQIHZOKBC-UHFFFAOYSA-N 1 2 278.356 1.160 20 30 CDEDLO Cc1[nH]c(C2CCN(C(=O)[C@@H](C)C#N)CC2)[nH+]c1C ZINC000899505449 622290460 /nfs/dbraw/zinc/29/04/60/622290460.db2.gz BGJACNJCTYZQJJ-VIFPVBQESA-N 1 2 260.341 1.892 20 30 CDEDLO C[NH+](C)Cc1cnc(C=CC(=O)c2c[nH]cn2)s1 ZINC000901541329 624327017 /nfs/dbraw/zinc/32/70/17/624327017.db2.gz VERJIHOEKNBMLG-ONEGZZNKSA-N 1 2 262.338 1.824 20 30 CDEDLO C=C(C)CNC(=S)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000905656023 626902815 /nfs/dbraw/zinc/90/28/15/626902815.db2.gz BPAQSGVBLKTDCR-LBPRGKRZSA-N 1 2 271.430 1.137 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)NCCC#C[Si](C)(C)C ZINC000912328510 629910176 /nfs/dbraw/zinc/91/01/76/629910176.db2.gz JMFUZKIYDVCTFV-UHFFFAOYSA-N 1 2 277.444 1.740 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000912395414 629981834 /nfs/dbraw/zinc/98/18/34/629981834.db2.gz VIJMULYGEMKGNN-BYNSBNAKSA-N 1 2 296.411 1.193 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000912395414 629981837 /nfs/dbraw/zinc/98/18/37/629981837.db2.gz VIJMULYGEMKGNN-BYNSBNAKSA-N 1 2 296.411 1.193 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2sccc2C)C1 ZINC000923596219 630708452 /nfs/dbraw/zinc/70/84/52/630708452.db2.gz CTTOUCPIZYHRQQ-LBPRGKRZSA-N 1 2 262.378 1.884 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2C)C1 ZINC000923596219 630708455 /nfs/dbraw/zinc/70/84/55/630708455.db2.gz CTTOUCPIZYHRQQ-LBPRGKRZSA-N 1 2 262.378 1.884 20 30 CDEDLO COc1ccc(OC)c([C@@H](O)C[N@H+](C)C[C@H](C)C#N)c1 ZINC000920088756 632719689 /nfs/dbraw/zinc/71/96/89/632719689.db2.gz KBOVYAIKQPHUFL-RISCZKNCSA-N 1 2 278.352 1.829 20 30 CDEDLO COc1ccc(OC)c([C@@H](O)C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000920088756 632719695 /nfs/dbraw/zinc/71/96/95/632719695.db2.gz KBOVYAIKQPHUFL-RISCZKNCSA-N 1 2 278.352 1.829 20 30 CDEDLO CC(C)C#CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3ncccn3)C[C@H]21 ZINC001114247645 1162460113 /nfs/dbraw/zinc/46/01/13/1162460113.db2.gz OASVFIISVVZVCP-NYTXWWLZSA-N 1 2 298.390 1.243 20 30 CDEDLO CC(C)C#CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3ncccn3)C[C@H]21 ZINC001114247645 1162460115 /nfs/dbraw/zinc/46/01/15/1162460115.db2.gz OASVFIISVVZVCP-NYTXWWLZSA-N 1 2 298.390 1.243 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)COC(C)C)CC2)C1 ZINC001105696079 1160831698 /nfs/dbraw/zinc/83/16/98/1160831698.db2.gz VGGQYTXIKHDYJS-UHFFFAOYSA-N 1 2 296.411 1.289 20 30 CDEDLO Cc1nc(NCC2(CCNC(=O)C#CC3CC3)CC2)cc[nH+]1 ZINC001089938307 1161413587 /nfs/dbraw/zinc/41/35/87/1161413587.db2.gz TXDCXBQSIXENLH-UHFFFAOYSA-N 1 2 298.390 1.897 20 30 CDEDLO C=C(C)CCC(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001112904540 1162056519 /nfs/dbraw/zinc/05/65/19/1162056519.db2.gz YFDVLROGNOWOBP-UHFFFAOYSA-N 1 2 280.412 1.914 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@](C)(OC)C1CC1 ZINC000812599363 1163659319 /nfs/dbraw/zinc/65/93/19/1163659319.db2.gz YXBAUPQDJTVEIV-DZGCQCFKSA-N 1 2 264.369 1.015 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@](C)(OC)C1CC1 ZINC000812599363 1163659323 /nfs/dbraw/zinc/65/93/23/1163659323.db2.gz YXBAUPQDJTVEIV-DZGCQCFKSA-N 1 2 264.369 1.015 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc2c(cn1)CCCC2 ZINC000812737054 1163689930 /nfs/dbraw/zinc/68/99/30/1163689930.db2.gz MNHJXLGNFMQCOW-HNNXBMFYSA-N 1 2 283.375 1.997 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc2c(cn1)CCCC2 ZINC000812737054 1163689935 /nfs/dbraw/zinc/68/99/35/1163689935.db2.gz MNHJXLGNFMQCOW-HNNXBMFYSA-N 1 2 283.375 1.997 20 30 CDEDLO CCc1cc(C#N)ccc1OC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC001573825751 1170790476 /nfs/dbraw/zinc/79/04/76/1170790476.db2.gz FNFRUSSVUOGJGL-CHWSQXEVSA-N 1 2 274.320 1.403 20 30 CDEDLO CC[C@H](OCCN1CC[NH2+]C[C@@H]1C#N)c1ccccc1 ZINC001577185243 1171616875 /nfs/dbraw/zinc/61/68/75/1171616875.db2.gz VHNYKKSCRNWBFZ-HOTGVXAUSA-N 1 2 273.380 1.952 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1Cl ZINC001602690073 1175356014 /nfs/dbraw/zinc/35/60/14/1175356014.db2.gz QTEWSQAYJOOSSN-VIFPVBQESA-N 1 2 275.743 1.974 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1Cl ZINC001602690073 1175356018 /nfs/dbraw/zinc/35/60/18/1175356018.db2.gz QTEWSQAYJOOSSN-VIFPVBQESA-N 1 2 275.743 1.974 20 30 CDEDLO C=C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C(=O)[O-] ZINC001602815643 1175414326 /nfs/dbraw/zinc/41/43/26/1175414326.db2.gz BMOPQBQUNUTGMP-WFASDCNBSA-N 1 2 289.379 1.836 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cn[nH]c1 ZINC001713480966 1178596021 /nfs/dbraw/zinc/59/60/21/1178596021.db2.gz QTTVERVKBUTPEN-UHFFFAOYSA-N 1 2 256.737 1.214 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cn[nH]c1 ZINC001713480966 1178596024 /nfs/dbraw/zinc/59/60/24/1178596024.db2.gz QTTVERVKBUTPEN-UHFFFAOYSA-N 1 2 256.737 1.214 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)OCC ZINC001715513668 1179692159 /nfs/dbraw/zinc/69/21/59/1179692159.db2.gz MNTFGNFYLNPRRW-LLVKDONJSA-N 1 2 262.781 1.554 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](C)OCC ZINC001715513668 1179692160 /nfs/dbraw/zinc/69/21/60/1179692160.db2.gz MNTFGNFYLNPRRW-LLVKDONJSA-N 1 2 262.781 1.554 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1ccon1 ZINC001753143535 1182217757 /nfs/dbraw/zinc/21/77/57/1182217757.db2.gz WEIFQJMXNDKCKG-NSHDSACASA-N 1 2 264.329 1.162 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1ccon1 ZINC001753143535 1182217762 /nfs/dbraw/zinc/21/77/62/1182217762.db2.gz WEIFQJMXNDKCKG-NSHDSACASA-N 1 2 264.329 1.162 20 30 CDEDLO CCc1cnc(C[NH2+]CCN(C)C(=O)C#CC(C)(C)C)o1 ZINC001753187536 1185110529 /nfs/dbraw/zinc/11/05/29/1185110529.db2.gz LEAXFBVVQGSINL-UHFFFAOYSA-N 1 2 291.395 1.835 20 30 CDEDLO C#CCCCC(=O)N(C)[C@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001753435236 1185205833 /nfs/dbraw/zinc/20/58/33/1185205833.db2.gz OETTYXUHHZLZOM-AWEZNQCLSA-N 1 2 289.379 1.819 20 30 CDEDLO C#CCCCC(=O)N(C)[C@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001753435236 1185205838 /nfs/dbraw/zinc/20/58/38/1185205838.db2.gz OETTYXUHHZLZOM-AWEZNQCLSA-N 1 2 289.379 1.819 20 30 CDEDLO CCN(CC[NH2+]Cc1nncs1)C(=O)C#CC(C)(C)C ZINC001754044176 1185439305 /nfs/dbraw/zinc/43/93/05/1185439305.db2.gz TXPCMQVEABULQO-UHFFFAOYSA-N 1 2 294.424 1.526 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)c1cccc(C)c1 ZINC001754495527 1185641783 /nfs/dbraw/zinc/64/17/83/1185641783.db2.gz MNFKYQDMKKGKDN-GDBMZVCRSA-N 1 2 270.376 1.922 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)c1cccc(C)c1 ZINC001754495527 1185641786 /nfs/dbraw/zinc/64/17/86/1185641786.db2.gz MNFKYQDMKKGKDN-GDBMZVCRSA-N 1 2 270.376 1.922 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](C)Oc2ccccn2)C1 ZINC001754584757 1185674629 /nfs/dbraw/zinc/67/46/29/1185674629.db2.gz NDAKDYCUGONODE-CYBMUJFWSA-N 1 2 289.379 1.568 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)SC)C2)C1 ZINC001755400135 1185940637 /nfs/dbraw/zinc/94/06/37/1185940637.db2.gz CQHQUOLNSAHNEC-DZGCQCFKSA-N 1 2 298.452 1.617 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)SC)C2)C1 ZINC001755400135 1185940642 /nfs/dbraw/zinc/94/06/42/1185940642.db2.gz CQHQUOLNSAHNEC-DZGCQCFKSA-N 1 2 298.452 1.617 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001755422638 1185948291 /nfs/dbraw/zinc/94/82/91/1185948291.db2.gz HQHOVYQAXMVVBH-CHWFTXMASA-N 1 2 294.292 1.757 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001755422638 1185948292 /nfs/dbraw/zinc/94/82/92/1185948292.db2.gz HQHOVYQAXMVVBH-CHWFTXMASA-N 1 2 294.292 1.757 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)[C@@H]2C1 ZINC001755422638 1185948293 /nfs/dbraw/zinc/94/82/93/1185948293.db2.gz HQHOVYQAXMVVBH-CHWFTXMASA-N 1 2 294.292 1.757 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)[C@@H]2C1 ZINC001755422638 1185948295 /nfs/dbraw/zinc/94/82/95/1185948295.db2.gz HQHOVYQAXMVVBH-CHWFTXMASA-N 1 2 294.292 1.757 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001015339958 828341492 /nfs/dbraw/zinc/34/14/92/828341492.db2.gz IUIRTEBIRTXLQM-UPJWGTAASA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001015339958 828341502 /nfs/dbraw/zinc/34/15/02/828341502.db2.gz IUIRTEBIRTXLQM-UPJWGTAASA-N 1 2 286.803 1.745 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1[nH]cnc1C(C)(C)C ZINC001038274896 828361615 /nfs/dbraw/zinc/36/16/15/828361615.db2.gz YORDAUOLQDNMJJ-LBPRGKRZSA-N 1 2 288.395 1.535 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1[nH]cnc1C(C)(C)C ZINC001038274896 828361625 /nfs/dbraw/zinc/36/16/25/828361625.db2.gz YORDAUOLQDNMJJ-LBPRGKRZSA-N 1 2 288.395 1.535 20 30 CDEDLO CC(C)CN(CCC#N)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000313803230 828370931 /nfs/dbraw/zinc/37/09/31/828370931.db2.gz OGNKUTSEUWUSGA-HUUCEWRRSA-N 1 2 267.417 1.967 20 30 CDEDLO C=CC[NH+]1CCC(CNC(=O)c2cncc3nc[nH]c32)CC1 ZINC001001434875 828372102 /nfs/dbraw/zinc/37/21/02/828372102.db2.gz WCYLDFZYMSWSSK-UHFFFAOYSA-N 1 2 299.378 1.586 20 30 CDEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)c2cc(OC)ns2)C1 ZINC001007357752 828380457 /nfs/dbraw/zinc/38/04/57/828380457.db2.gz RJRNKUHXMZMICV-SNVBAGLBSA-N 1 2 281.381 1.532 20 30 CDEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(OC)ns2)C1 ZINC001007357752 828380464 /nfs/dbraw/zinc/38/04/64/828380464.db2.gz RJRNKUHXMZMICV-SNVBAGLBSA-N 1 2 281.381 1.532 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC001039010925 828417981 /nfs/dbraw/zinc/41/79/81/828417981.db2.gz MIZKEFWXGZKKON-LBPRGKRZSA-N 1 2 284.319 1.107 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC001039010925 828418002 /nfs/dbraw/zinc/41/80/02/828418002.db2.gz MIZKEFWXGZKKON-LBPRGKRZSA-N 1 2 284.319 1.107 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cc1cccs1 ZINC001032658729 828444535 /nfs/dbraw/zinc/44/45/35/828444535.db2.gz DPWSRMARDBPYCF-RDBSUJKOSA-N 1 2 288.416 1.845 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cc1cccs1 ZINC001032658729 828444547 /nfs/dbraw/zinc/44/45/47/828444547.db2.gz DPWSRMARDBPYCF-RDBSUJKOSA-N 1 2 288.416 1.845 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc3ccccc3oc2=O)C1 ZINC001031343164 822660806 /nfs/dbraw/zinc/66/08/06/822660806.db2.gz PIGXXBYPAGSDIF-UHFFFAOYSA-N 1 2 296.326 1.230 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2nccs2)C1 ZINC001035555908 828467442 /nfs/dbraw/zinc/46/74/42/828467442.db2.gz NDKMPFWOIYOBBP-LLVKDONJSA-N 1 2 281.381 1.150 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2nccs2)C1 ZINC001035555908 828467456 /nfs/dbraw/zinc/46/74/56/828467456.db2.gz NDKMPFWOIYOBBP-LLVKDONJSA-N 1 2 281.381 1.150 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2ccc(F)s2)C1 ZINC001031473481 822706362 /nfs/dbraw/zinc/70/63/62/822706362.db2.gz YHXKDFAJQOHXOC-UHFFFAOYSA-N 1 2 254.330 1.877 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC(F)(F)C1 ZINC001038693346 828494647 /nfs/dbraw/zinc/49/46/47/828494647.db2.gz CNXORLQGPYOJFM-NEPJUHHUSA-N 1 2 270.323 1.636 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC(F)(F)C1 ZINC001038693346 828494662 /nfs/dbraw/zinc/49/46/62/828494662.db2.gz CNXORLQGPYOJFM-NEPJUHHUSA-N 1 2 270.323 1.636 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC=CCC1)CO2 ZINC001053735585 828488050 /nfs/dbraw/zinc/48/80/50/828488050.db2.gz IKQNIXIUUXSBIA-LSDHHAIUSA-N 1 2 288.391 1.326 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(OC)ccn1 ZINC001032556137 828501030 /nfs/dbraw/zinc/50/10/30/828501030.db2.gz QOWBRSLEBLKTMO-STQMWFEESA-N 1 2 285.347 1.012 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(OC)ccn1 ZINC001032556137 828501051 /nfs/dbraw/zinc/50/10/51/828501051.db2.gz QOWBRSLEBLKTMO-STQMWFEESA-N 1 2 285.347 1.012 20 30 CDEDLO C=C[C@H](O)C(=O)OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817189245 828543263 /nfs/dbraw/zinc/54/32/63/828543263.db2.gz UHARRFFRXAXXOT-HNNXBMFYSA-N 1 2 291.347 1.109 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]nc1CCC ZINC001017695912 828560120 /nfs/dbraw/zinc/56/01/20/828560120.db2.gz QBDQAXRCOXHRES-BETUJISGSA-N 1 2 286.379 1.284 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]nc1CCC ZINC001017695912 828560152 /nfs/dbraw/zinc/56/01/52/828560152.db2.gz QBDQAXRCOXHRES-BETUJISGSA-N 1 2 286.379 1.284 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2CCCOC2)C1 ZINC001044304910 823749559 /nfs/dbraw/zinc/74/95/59/823749559.db2.gz YYAIOBQRXCNKRC-GFCCVEGCSA-N 1 2 252.358 1.132 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(C)(NC(=O)c2cn[nH]n2)CC1 ZINC001045489746 823810503 /nfs/dbraw/zinc/81/05/03/823810503.db2.gz KJMGLYYGOASJBH-UHFFFAOYSA-N 1 2 283.763 1.142 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(C)(NC(=O)c2cnn[nH]2)CC1 ZINC001045489746 823810508 /nfs/dbraw/zinc/81/05/08/823810508.db2.gz KJMGLYYGOASJBH-UHFFFAOYSA-N 1 2 283.763 1.142 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnn(C)c2C)C1 ZINC001046147230 823836737 /nfs/dbraw/zinc/83/67/37/823836737.db2.gz MKMFJWGPTHBMGX-CQSZACIVSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnn(C)c2C)C1 ZINC001046147230 823836738 /nfs/dbraw/zinc/83/67/38/823836738.db2.gz MKMFJWGPTHBMGX-CQSZACIVSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(Cl)n(C)n2)C1 ZINC001043290845 823866806 /nfs/dbraw/zinc/86/68/06/823866806.db2.gz BWFJKEVSVBKHQS-UHFFFAOYSA-N 1 2 282.775 1.406 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCCO2)C1 ZINC001033016250 823870560 /nfs/dbraw/zinc/87/05/60/823870560.db2.gz RDNNTIXBVLAOBD-QWHCGFSZSA-N 1 2 286.803 1.841 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCCO2)C1 ZINC001033016250 823870562 /nfs/dbraw/zinc/87/05/62/823870562.db2.gz RDNNTIXBVLAOBD-QWHCGFSZSA-N 1 2 286.803 1.841 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cccc(F)c2)C1 ZINC001035278074 823871998 /nfs/dbraw/zinc/87/19/98/823871998.db2.gz VNRXOSPLSRDEGG-CQSZACIVSA-N 1 2 278.327 1.442 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cccc(F)c2)C1 ZINC001035278074 823872000 /nfs/dbraw/zinc/87/20/00/823872000.db2.gz VNRXOSPLSRDEGG-CQSZACIVSA-N 1 2 278.327 1.442 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1oc(CCC)nc1C ZINC001038912116 823872447 /nfs/dbraw/zinc/87/24/47/823872447.db2.gz BFLCKYAOWSNAHZ-LBPRGKRZSA-N 1 2 277.368 1.926 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1oc(CCC)nc1C ZINC001038912116 823872450 /nfs/dbraw/zinc/87/24/50/823872450.db2.gz BFLCKYAOWSNAHZ-LBPRGKRZSA-N 1 2 277.368 1.926 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc(C2CC2)cn1 ZINC001032485266 823973142 /nfs/dbraw/zinc/97/31/42/823973142.db2.gz ICMRXTWMJPKNBU-HOTGVXAUSA-N 1 2 298.390 1.069 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc(C2CC2)cn1 ZINC001032485266 823973155 /nfs/dbraw/zinc/97/31/55/823973155.db2.gz ICMRXTWMJPKNBU-HOTGVXAUSA-N 1 2 298.390 1.069 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(N(C)CC)cc2)C1 ZINC001031475461 824078421 /nfs/dbraw/zinc/07/84/21/824078421.db2.gz OHBXYVFIRPPRBV-UHFFFAOYSA-N 1 2 285.391 1.580 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1 ZINC001031076719 828607236 /nfs/dbraw/zinc/60/72/36/828607236.db2.gz MREHDCSVNDACJW-JKSUJKDBSA-N 1 2 298.386 1.622 20 30 CDEDLO Cc1cc(NN=C2CCCc3c2ccc(=O)n3C)nc(N)[nH+]1 ZINC000872421194 824095002 /nfs/dbraw/zinc/09/50/02/824095002.db2.gz CGUQEPHAGXEEKW-UHFFFAOYSA-N 1 2 298.350 1.218 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1noc2c1CCCCC2 ZINC001038759891 824137511 /nfs/dbraw/zinc/13/75/11/824137511.db2.gz AYEFKZCVPJMGOL-GFCCVEGCSA-N 1 2 287.363 1.381 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1noc2c1CCCCC2 ZINC001038759891 824137520 /nfs/dbraw/zinc/13/75/20/824137520.db2.gz AYEFKZCVPJMGOL-GFCCVEGCSA-N 1 2 287.363 1.381 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncccc1OCCC ZINC001038666296 828621825 /nfs/dbraw/zinc/62/18/25/828621825.db2.gz DLWJYKYHEJJIOG-CYBMUJFWSA-N 1 2 287.363 1.308 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncccc1OCCC ZINC001038666296 828621832 /nfs/dbraw/zinc/62/18/32/828621832.db2.gz DLWJYKYHEJJIOG-CYBMUJFWSA-N 1 2 287.363 1.308 20 30 CDEDLO C#CCCN1CC[NH+]([C@@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000127360070 828624450 /nfs/dbraw/zinc/62/44/50/828624450.db2.gz JJYBOTJCCWXFIW-INIZCTEOSA-N 1 2 293.455 1.661 20 30 CDEDLO C#CCCCC(=O)N1CC[NH2+][C@@H](c2cccc(OC)c2)C1 ZINC000870153549 824267089 /nfs/dbraw/zinc/26/70/89/824267089.db2.gz VUPQCCAFYAFZJA-MRXNPFEDSA-N 1 2 286.375 1.972 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC[C@@H](C)O1)O2 ZINC001053664210 824283417 /nfs/dbraw/zinc/28/34/17/824283417.db2.gz NWSRVAYTWYYGPG-HZSPNIEDSA-N 1 2 294.395 1.090 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc[nH]c1CCC ZINC001038609348 824302681 /nfs/dbraw/zinc/30/26/81/824302681.db2.gz YJRHDSOTAUAGRS-LBPRGKRZSA-N 1 2 259.353 1.405 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc[nH]c1CCC ZINC001038609348 824302689 /nfs/dbraw/zinc/30/26/89/824302689.db2.gz YJRHDSOTAUAGRS-LBPRGKRZSA-N 1 2 259.353 1.405 20 30 CDEDLO C#CCCN(CCOC)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000856391467 824307936 /nfs/dbraw/zinc/30/79/36/824307936.db2.gz UQMZDZNXCJQCTI-CHWSQXEVSA-N 1 2 275.352 1.022 20 30 CDEDLO CC(C)[C@@]1(C)CC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853525487 824344837 /nfs/dbraw/zinc/34/48/37/824344837.db2.gz WTCILGIZAFGGCI-CZUORRHYSA-N 1 2 291.395 1.991 20 30 CDEDLO CC(C)[C@@]1(C)CC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853525487 824344842 /nfs/dbraw/zinc/34/48/42/824344842.db2.gz WTCILGIZAFGGCI-CZUORRHYSA-N 1 2 291.395 1.991 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc3ccccc3n2C)C1 ZINC001030863142 824350898 /nfs/dbraw/zinc/35/08/98/824350898.db2.gz GQHCCCLXQFNPRD-UHFFFAOYSA-N 1 2 281.359 1.616 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001007556275 824382818 /nfs/dbraw/zinc/38/28/18/824382818.db2.gz XZAMELWTSURRPU-SNVBAGLBSA-N 1 2 298.774 1.370 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001007556275 824382824 /nfs/dbraw/zinc/38/28/24/824382824.db2.gz XZAMELWTSURRPU-SNVBAGLBSA-N 1 2 298.774 1.370 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@]2(C)OCCc3ccccc32)C1 ZINC001031475132 824400389 /nfs/dbraw/zinc/40/03/89/824400389.db2.gz FCQAMISWRQYXHR-SFHVURJKSA-N 1 2 298.386 1.298 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccccn1)CCO2 ZINC001053125026 824412405 /nfs/dbraw/zinc/41/24/05/824412405.db2.gz YBPYUNFBWUGPEA-UHFFFAOYSA-N 1 2 287.363 1.185 20 30 CDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccncc2)CC1 ZINC001004332920 824442243 /nfs/dbraw/zinc/44/22/43/824442243.db2.gz JTWMSKPJAIGXJN-MRXNPFEDSA-N 1 2 298.390 1.922 20 30 CDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccncc2)CC1 ZINC001004332920 824442250 /nfs/dbraw/zinc/44/22/50/824442250.db2.gz JTWMSKPJAIGXJN-MRXNPFEDSA-N 1 2 298.390 1.922 20 30 CDEDLO C#CCCCCC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000180034431 824449643 /nfs/dbraw/zinc/44/96/43/824449643.db2.gz ITDOYWFXASCEPX-UHFFFAOYSA-N 1 2 266.385 1.407 20 30 CDEDLO C#CCCCCC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000180034431 824449652 /nfs/dbraw/zinc/44/96/52/824449652.db2.gz ITDOYWFXASCEPX-UHFFFAOYSA-N 1 2 266.385 1.407 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@@H](C)C1CC1)CCO2 ZINC001053543967 824505426 /nfs/dbraw/zinc/50/54/26/824505426.db2.gz RIUGRNXHJRTCFL-CQSZACIVSA-N 1 2 292.423 1.912 20 30 CDEDLO COC(=O)CCCCO[NH+]=C(N)c1ccc(F)cc1 ZINC000863453573 828656573 /nfs/dbraw/zinc/65/65/73/828656573.db2.gz BZCPMDSCRLPTLI-UHFFFAOYSA-N 1 2 268.288 1.806 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(N(C)C)cc1 ZINC001038963730 828657210 /nfs/dbraw/zinc/65/72/10/828657210.db2.gz BEZHDRSEJIHEHH-OAHLLOKOSA-N 1 2 271.364 1.190 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N(C)C)cc1 ZINC001038963730 828657219 /nfs/dbraw/zinc/65/72/19/828657219.db2.gz BEZHDRSEJIHEHH-OAHLLOKOSA-N 1 2 271.364 1.190 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1ccccc1F ZINC001032779024 824519130 /nfs/dbraw/zinc/51/91/30/824519130.db2.gz UXGZTWANNJVIGN-STQMWFEESA-N 1 2 288.322 1.123 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1ccccc1F ZINC001032779024 824519136 /nfs/dbraw/zinc/51/91/36/824519136.db2.gz UXGZTWANNJVIGN-STQMWFEESA-N 1 2 288.322 1.123 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC(C)(C1CC1)C1CC1 ZINC000884414543 824552821 /nfs/dbraw/zinc/55/28/21/824552821.db2.gz VNSLIXBSMOWTDU-LBPRGKRZSA-N 1 2 280.368 1.128 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000816054424 824564406 /nfs/dbraw/zinc/56/44/06/824564406.db2.gz DZXRPZHWZRDAAO-GFCCVEGCSA-N 1 2 277.299 1.462 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000816054424 824564416 /nfs/dbraw/zinc/56/44/16/824564416.db2.gz DZXRPZHWZRDAAO-GFCCVEGCSA-N 1 2 277.299 1.462 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2cc(C)ccc2O1 ZINC001038521905 824683867 /nfs/dbraw/zinc/68/38/67/824683867.db2.gz ZNRNCQXHODLFMA-NVXWUHKLSA-N 1 2 298.386 1.512 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2cc(C)ccc2O1 ZINC001038521905 824683878 /nfs/dbraw/zinc/68/38/78/824683878.db2.gz ZNRNCQXHODLFMA-NVXWUHKLSA-N 1 2 298.386 1.512 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2onc(C)c2C)C1 ZINC001035407891 824686489 /nfs/dbraw/zinc/68/64/89/824686489.db2.gz MIENWLNDILESHR-ZDUSSCGKSA-N 1 2 293.367 1.298 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2onc(C)c2C)C1 ZINC001035407891 824686501 /nfs/dbraw/zinc/68/65/01/824686501.db2.gz MIENWLNDILESHR-ZDUSSCGKSA-N 1 2 293.367 1.298 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncccn1 ZINC001045734033 824775270 /nfs/dbraw/zinc/77/52/70/824775270.db2.gz ZRCLDYVFYPVBGP-MCIONIFRSA-N 1 2 299.378 1.202 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncccn1 ZINC001045734033 824775280 /nfs/dbraw/zinc/77/52/80/824775280.db2.gz ZRCLDYVFYPVBGP-MCIONIFRSA-N 1 2 299.378 1.202 20 30 CDEDLO COC(=O)[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)C(C)(C)C ZINC000886076036 824802705 /nfs/dbraw/zinc/80/27/05/824802705.db2.gz JTEZVJGHTAEBCY-VXGBXAGGSA-N 1 2 282.384 1.609 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cncnc2)C1 ZINC001033042646 824816338 /nfs/dbraw/zinc/81/63/38/824816338.db2.gz ZYVICNLMKLKYGW-CYBMUJFWSA-N 1 2 294.786 1.304 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cncnc2)C1 ZINC001033042646 824816339 /nfs/dbraw/zinc/81/63/39/824816339.db2.gz ZYVICNLMKLKYGW-CYBMUJFWSA-N 1 2 294.786 1.304 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC001038907544 824823763 /nfs/dbraw/zinc/82/37/63/824823763.db2.gz YXOVXZFAFVRDRV-ZDUSSCGKSA-N 1 2 271.364 1.331 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC001038907544 824823768 /nfs/dbraw/zinc/82/37/68/824823768.db2.gz YXOVXZFAFVRDRV-ZDUSSCGKSA-N 1 2 271.364 1.331 20 30 CDEDLO C=C(C)CN1CC(N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001043059226 824833811 /nfs/dbraw/zinc/83/38/11/824833811.db2.gz IGRJCPNOPVEMBR-UHFFFAOYSA-N 1 2 290.411 1.645 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC(F)(F)C1 ZINC001038693348 824837114 /nfs/dbraw/zinc/83/71/14/824837114.db2.gz CNXORLQGPYOJFM-RYUDHWBXSA-N 1 2 270.323 1.636 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC(F)(F)C1 ZINC001038693348 824837122 /nfs/dbraw/zinc/83/71/22/824837122.db2.gz CNXORLQGPYOJFM-RYUDHWBXSA-N 1 2 270.323 1.636 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001038824493 824837391 /nfs/dbraw/zinc/83/73/91/824837391.db2.gz YSHQVDSYTZTPJQ-CZUORRHYSA-N 1 2 298.386 1.837 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001038824493 824837392 /nfs/dbraw/zinc/83/73/92/824837392.db2.gz YSHQVDSYTZTPJQ-CZUORRHYSA-N 1 2 298.386 1.837 20 30 CDEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@H]1C(N)=O)c1ccccc1 ZINC000879038762 824840728 /nfs/dbraw/zinc/84/07/28/824840728.db2.gz XRIQTLZSJNZSGA-DOTOQJQBSA-N 1 2 299.374 1.377 20 30 CDEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@H]1C(N)=O)c1ccccc1 ZINC000879038762 824840732 /nfs/dbraw/zinc/84/07/32/824840732.db2.gz XRIQTLZSJNZSGA-DOTOQJQBSA-N 1 2 299.374 1.377 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@H](OC)C2)C1 ZINC001043150736 828709540 /nfs/dbraw/zinc/70/95/40/828709540.db2.gz PYIODCQPKVEICL-AAEUAGOBSA-N 1 2 252.358 1.130 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CO[C@H](C)C2)C1 ZINC001043147884 824878558 /nfs/dbraw/zinc/87/85/58/824878558.db2.gz VTNURWQQJRONQJ-NEPJUHHUSA-N 1 2 252.358 1.130 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c(CC)ncnc2CC)C1 ZINC001030972327 824885838 /nfs/dbraw/zinc/88/58/38/824885838.db2.gz XMYYVHHRBKSBSO-UHFFFAOYSA-N 1 2 286.379 1.039 20 30 CDEDLO Cc1nc(N[C@@H]2CN(C(=O)[C@H](C)C#N)CC2(C)C)cc[nH+]1 ZINC001069541568 824892205 /nfs/dbraw/zinc/89/22/05/824892205.db2.gz MFJHIJBAVHTNQL-ZYHUDNBSSA-N 1 2 287.367 1.594 20 30 CDEDLO C#C[C@@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000825728327 824896727 /nfs/dbraw/zinc/89/67/27/824896727.db2.gz TYNOBABVQMIDJR-DZGCQCFKSA-N 1 2 282.347 1.945 20 30 CDEDLO C#CCC[N@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000823481646 824903336 /nfs/dbraw/zinc/90/33/36/824903336.db2.gz KZNOHMPBPDKQCY-TXEJJXNPSA-N 1 2 265.259 1.812 20 30 CDEDLO C#CCC[N@@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000823481646 824903340 /nfs/dbraw/zinc/90/33/40/824903340.db2.gz KZNOHMPBPDKQCY-TXEJJXNPSA-N 1 2 265.259 1.812 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1c(F)cc(F)cc1F ZINC000818521625 828710487 /nfs/dbraw/zinc/71/04/87/828710487.db2.gz PAQZLUOEGQXYPG-AWEZNQCLSA-N 1 2 296.292 1.818 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1c(F)cc(F)cc1F ZINC000818521625 828710493 /nfs/dbraw/zinc/71/04/93/828710493.db2.gz PAQZLUOEGQXYPG-AWEZNQCLSA-N 1 2 296.292 1.818 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(F)c2ccncc12 ZINC001038616576 824931807 /nfs/dbraw/zinc/93/18/07/824931807.db2.gz KHMVUYATZLAPIG-GFCCVEGCSA-N 1 2 297.333 1.811 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(F)c2ccncc12 ZINC001038616576 824931815 /nfs/dbraw/zinc/93/18/15/824931815.db2.gz KHMVUYATZLAPIG-GFCCVEGCSA-N 1 2 297.333 1.811 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2[nH]nc(C)c2C)CC[C@@H]1C ZINC001071396941 824995884 /nfs/dbraw/zinc/99/58/84/824995884.db2.gz SZDREUOFQGINCG-FZMZJTMJSA-N 1 2 288.395 1.633 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2[nH]nc(C)c2C)CC[C@@H]1C ZINC001071396941 824995887 /nfs/dbraw/zinc/99/58/87/824995887.db2.gz SZDREUOFQGINCG-FZMZJTMJSA-N 1 2 288.395 1.633 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CCC2CCC2)C1 ZINC000885508290 825039988 /nfs/dbraw/zinc/03/99/88/825039988.db2.gz DYKJEUDPQXSGRF-AWEZNQCLSA-N 1 2 284.425 1.194 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CCC2CCC2)C1 ZINC000885508290 825039993 /nfs/dbraw/zinc/03/99/93/825039993.db2.gz DYKJEUDPQXSGRF-AWEZNQCLSA-N 1 2 284.425 1.194 20 30 CDEDLO C=C[C@H](CC)CC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000933358498 825092568 /nfs/dbraw/zinc/09/25/68/825092568.db2.gz GMAFQCNNWBQKQX-CQSZACIVSA-N 1 2 291.399 1.025 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2nc(C)n3ccccc23)C1 ZINC001030675740 825125731 /nfs/dbraw/zinc/12/57/31/825125731.db2.gz GCGCTSGIVKCDIK-UHFFFAOYSA-N 1 2 284.363 1.633 20 30 CDEDLO C#CCCCC[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000815596056 825157909 /nfs/dbraw/zinc/15/79/09/825157909.db2.gz JLTVHTZBDXVGJP-CYBMUJFWSA-N 1 2 255.325 1.682 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C[C@H](F)CC)nc1 ZINC001038929773 825223103 /nfs/dbraw/zinc/22/31/03/825223103.db2.gz DYENUVKMALDLIZ-KGLIPLIRSA-N 1 2 289.354 1.615 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C[C@H](F)CC)nc1 ZINC001038929773 825223116 /nfs/dbraw/zinc/22/31/16/825223116.db2.gz DYENUVKMALDLIZ-KGLIPLIRSA-N 1 2 289.354 1.615 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(OC)cc2C)C1 ZINC001030885529 825231308 /nfs/dbraw/zinc/23/13/08/825231308.db2.gz PWNDUGIWZUUAJQ-UHFFFAOYSA-N 1 2 272.348 1.441 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnc3c(F)cccc3c2)C1 ZINC001030686442 825239457 /nfs/dbraw/zinc/23/94/57/825239457.db2.gz CUZAAZWCWBBIRG-UHFFFAOYSA-N 1 2 297.333 1.811 20 30 CDEDLO C[C@]1(NC(=O)c2cccc3[nH+]ccn32)CCN(CC#N)C1 ZINC001046480962 825243799 /nfs/dbraw/zinc/24/37/99/825243799.db2.gz FRGAAXTXDNNLKZ-HNNXBMFYSA-N 1 2 283.335 1.052 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(F)s2)C1 ZINC001035622353 825246851 /nfs/dbraw/zinc/24/68/51/825246851.db2.gz QRXYOKRXDVIVPU-LLVKDONJSA-N 1 2 298.383 1.894 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(F)s2)C1 ZINC001035622353 825246861 /nfs/dbraw/zinc/24/68/61/825246861.db2.gz QRXYOKRXDVIVPU-LLVKDONJSA-N 1 2 298.383 1.894 20 30 CDEDLO C=CCCCCCOC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000805467799 825264484 /nfs/dbraw/zinc/26/44/84/825264484.db2.gz BDTFOPIXAKBAMU-ZDUSSCGKSA-N 1 2 255.358 1.997 20 30 CDEDLO C=CCCCCCOC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000805467799 825264497 /nfs/dbraw/zinc/26/44/97/825264497.db2.gz BDTFOPIXAKBAMU-ZDUSSCGKSA-N 1 2 255.358 1.997 20 30 CDEDLO COc1ccc(CNN=Cc2c[nH+]c(C)n2C)cc1 ZINC000853294670 825266583 /nfs/dbraw/zinc/26/65/83/825266583.db2.gz ZVQMWIWMHUKOPX-UHFFFAOYSA-N 1 2 258.325 1.861 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc3c(c2)COC3)C1 ZINC001031310247 825286519 /nfs/dbraw/zinc/28/65/19/825286519.db2.gz RMZPQZMOMVIBIL-UHFFFAOYSA-N 1 2 284.359 1.083 20 30 CDEDLO CCC(C#N)(CC)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000860718555 825292182 /nfs/dbraw/zinc/29/21/82/825292182.db2.gz JMFLWBBXPXUPEA-LLVKDONJSA-N 1 2 256.321 1.903 20 30 CDEDLO CCC(C#N)(CC)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000860718555 825292196 /nfs/dbraw/zinc/29/21/96/825292196.db2.gz JMFLWBBXPXUPEA-LLVKDONJSA-N 1 2 256.321 1.903 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(F)F)nc1 ZINC001038335735 825292270 /nfs/dbraw/zinc/29/22/70/825292270.db2.gz NHZMNHPKOZRDDY-LBPRGKRZSA-N 1 2 293.317 1.847 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C(F)F)nc1 ZINC001038335735 825292280 /nfs/dbraw/zinc/29/22/80/825292280.db2.gz NHZMNHPKOZRDDY-LBPRGKRZSA-N 1 2 293.317 1.847 20 30 CDEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C)C2)CC1 ZINC001052061962 825325733 /nfs/dbraw/zinc/32/57/33/825325733.db2.gz AWFOETXGFQCBOX-BZUAXINKSA-N 1 2 291.439 1.437 20 30 CDEDLO C=CCC1(O)CC[NH+]([C@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000886759795 825341432 /nfs/dbraw/zinc/34/14/32/825341432.db2.gz PQDWUFIXGKPPAC-SNVBAGLBSA-N 1 2 294.317 1.456 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)Cn2ccc(C(F)F)n2)C1 ZINC001042876903 825360733 /nfs/dbraw/zinc/36/07/33/825360733.db2.gz KADJWOTZFASRLL-UHFFFAOYSA-N 1 2 284.310 1.149 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CCCC2CC2)C1 ZINC000885507960 825376067 /nfs/dbraw/zinc/37/60/67/825376067.db2.gz AHCXOUKMYRHXRA-AWEZNQCLSA-N 1 2 284.425 1.194 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CCCC2CC2)C1 ZINC000885507960 825376075 /nfs/dbraw/zinc/37/60/75/825376075.db2.gz AHCXOUKMYRHXRA-AWEZNQCLSA-N 1 2 284.425 1.194 20 30 CDEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000823633988 825427742 /nfs/dbraw/zinc/42/77/42/825427742.db2.gz VISZBFOOTZUIMV-UKRRQHHQSA-N 1 2 292.766 1.197 20 30 CDEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000823633988 825427748 /nfs/dbraw/zinc/42/77/48/825427748.db2.gz VISZBFOOTZUIMV-UKRRQHHQSA-N 1 2 292.766 1.197 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)C2CC2)C1 ZINC001046092661 825477756 /nfs/dbraw/zinc/47/77/56/825477756.db2.gz MWBPEGDLLVVJLK-LBPRGKRZSA-N 1 2 287.201 1.886 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)C2CC2)C1 ZINC001046092661 825477782 /nfs/dbraw/zinc/47/77/82/825477782.db2.gz MWBPEGDLLVVJLK-LBPRGKRZSA-N 1 2 287.201 1.886 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)noc1C(F)F ZINC001038397756 825526762 /nfs/dbraw/zinc/52/67/62/825526762.db2.gz JUTXSRWKGXGHLZ-VIFPVBQESA-N 1 2 285.294 1.911 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)noc1C(F)F ZINC001038397756 825526805 /nfs/dbraw/zinc/52/68/05/825526805.db2.gz JUTXSRWKGXGHLZ-VIFPVBQESA-N 1 2 285.294 1.911 20 30 CDEDLO C=C(C)C[C@H](CO)Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000883006395 825528964 /nfs/dbraw/zinc/52/89/64/825528964.db2.gz QSEFGFMKIQOYPV-GFCCVEGCSA-N 1 2 294.424 1.769 20 30 CDEDLO C=C(C)C[C@H](CO)Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000883006395 825528975 /nfs/dbraw/zinc/52/89/75/825528975.db2.gz QSEFGFMKIQOYPV-GFCCVEGCSA-N 1 2 294.424 1.769 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)c2snnc2C2CC2)C1 ZINC001014818803 825539779 /nfs/dbraw/zinc/53/97/79/825539779.db2.gz ZVTQEHBDKBVQIK-SNVBAGLBSA-N 1 2 278.381 1.406 20 30 CDEDLO C=CC[N@H+]1CC[C@@H](NC(=O)c2snnc2C2CC2)C1 ZINC001014818803 825539787 /nfs/dbraw/zinc/53/97/87/825539787.db2.gz ZVTQEHBDKBVQIK-SNVBAGLBSA-N 1 2 278.381 1.406 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C)n2ccnc21 ZINC000836955692 828803314 /nfs/dbraw/zinc/80/33/14/828803314.db2.gz RUWYEQJPTMKATB-AVGNSLFASA-N 1 2 272.352 1.103 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C)n2ccnc21 ZINC000836955692 828803315 /nfs/dbraw/zinc/80/33/15/828803315.db2.gz RUWYEQJPTMKATB-AVGNSLFASA-N 1 2 272.352 1.103 20 30 CDEDLO N#Cc1ccc(F)c(C(=O)N[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000857941635 825640775 /nfs/dbraw/zinc/64/07/75/825640775.db2.gz KIMQHDPUJQGMGZ-NSHDSACASA-N 1 2 284.294 1.639 20 30 CDEDLO Cc1nn(C[NH+]2CCC(CC#N)CC2)c(C)c1[N+](=O)[O-] ZINC000781572953 828809209 /nfs/dbraw/zinc/80/92/09/828809209.db2.gz VNJUKNGNWIXOFO-UHFFFAOYSA-N 1 2 277.328 1.991 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(COC)o1 ZINC001032509456 828815180 /nfs/dbraw/zinc/81/51/80/828815180.db2.gz KGNLDELQTOLTDW-STQMWFEESA-N 1 2 288.347 1.348 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(COC)o1 ZINC001032509456 828815181 /nfs/dbraw/zinc/81/51/81/828815181.db2.gz KGNLDELQTOLTDW-STQMWFEESA-N 1 2 288.347 1.348 20 30 CDEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCN(C)C[C@@H]2CO)cc1 ZINC000877643144 825702436 /nfs/dbraw/zinc/70/24/36/825702436.db2.gz AVUQKVPNKMQTLT-DZGCQCFKSA-N 1 2 289.379 1.086 20 30 CDEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCN(C)C[C@@H]2CO)cc1 ZINC000877643144 825702455 /nfs/dbraw/zinc/70/24/55/825702455.db2.gz AVUQKVPNKMQTLT-DZGCQCFKSA-N 1 2 289.379 1.086 20 30 CDEDLO N#CCc1cccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000882472820 825747129 /nfs/dbraw/zinc/74/71/29/825747129.db2.gz VHEBGMVSUKVKNM-LLVKDONJSA-N 1 2 281.319 1.545 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccn1C)O2 ZINC001053573124 825748212 /nfs/dbraw/zinc/74/82/12/825748212.db2.gz BBQITJHWEAXGJR-ZDUSSCGKSA-N 1 2 289.379 1.174 20 30 CDEDLO C#CC1(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC000882534062 828820717 /nfs/dbraw/zinc/82/07/17/828820717.db2.gz XMCFTXPHNBXRNU-GFCCVEGCSA-N 1 2 257.337 1.508 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2C[C@]2(C)C(C)C)C1 ZINC001044125116 825807029 /nfs/dbraw/zinc/80/70/29/825807029.db2.gz VVHAFZMSFAZNCD-UKRRQHHQSA-N 1 2 250.386 1.997 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2cc3ccccc3oc2=O)C1 ZINC001044257355 825824104 /nfs/dbraw/zinc/82/41/04/825824104.db2.gz RXZIMVNHEPYFEY-UHFFFAOYSA-N 1 2 298.342 1.735 20 30 CDEDLO C=CCC[NH+]1CC(N(C)C(=O)c2snnc2C)C1 ZINC001042467652 825831370 /nfs/dbraw/zinc/83/13/70/825831370.db2.gz KQDJBYUWZBXGQH-UHFFFAOYSA-N 1 2 266.370 1.179 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1N(C)C ZINC001018334185 825835669 /nfs/dbraw/zinc/83/56/69/825835669.db2.gz GHXDGHRUUHPKOB-GASCZTMLSA-N 1 2 297.402 1.675 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1N(C)C ZINC001018334185 825835675 /nfs/dbraw/zinc/83/56/75/825835675.db2.gz GHXDGHRUUHPKOB-GASCZTMLSA-N 1 2 297.402 1.675 20 30 CDEDLO N#CCC1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000935782679 825840085 /nfs/dbraw/zinc/84/00/85/825840085.db2.gz WAJWKKIFKOHGIU-UHFFFAOYSA-N 1 2 254.293 1.987 20 30 CDEDLO C#Cc1cnc(N2CCC[C@H](n3cc[nH+]c3)C2)nc1 ZINC000827557907 825876121 /nfs/dbraw/zinc/87/61/21/825876121.db2.gz RLGQJECRFJMYFI-ZDUSSCGKSA-N 1 2 253.309 1.496 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1coc(=O)c2ccccc12 ZINC001038583768 825878568 /nfs/dbraw/zinc/87/85/68/825878568.db2.gz YIZIQBKSCCOKGW-GFCCVEGCSA-N 1 2 296.326 1.230 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(=O)c2ccccc12 ZINC001038583768 825878569 /nfs/dbraw/zinc/87/85/69/825878569.db2.gz YIZIQBKSCCOKGW-GFCCVEGCSA-N 1 2 296.326 1.230 20 30 CDEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cc(OC)ns2)C1 ZINC001007363160 825898620 /nfs/dbraw/zinc/89/86/20/825898620.db2.gz JRHMVYSDHNEJLC-NSHDSACASA-N 1 2 293.392 1.369 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(OC)ns2)C1 ZINC001007363160 825898623 /nfs/dbraw/zinc/89/86/23/825898623.db2.gz JRHMVYSDHNEJLC-NSHDSACASA-N 1 2 293.392 1.369 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OC)C1CC1 ZINC001017516451 825901769 /nfs/dbraw/zinc/90/17/69/825901769.db2.gz SQICVELHULIJTO-ZNMIVQPWSA-N 1 2 276.380 1.110 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OC)C1CC1 ZINC001017516451 825901778 /nfs/dbraw/zinc/90/17/78/825901778.db2.gz SQICVELHULIJTO-ZNMIVQPWSA-N 1 2 276.380 1.110 20 30 CDEDLO N#CCCCOc1cccnc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000825513924 825927289 /nfs/dbraw/zinc/92/72/89/825927289.db2.gz KZAXAAUDRWOSBK-UHFFFAOYSA-N 1 2 285.307 1.668 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2nc(C)nn2c1 ZINC000839749600 825979587 /nfs/dbraw/zinc/97/95/87/825979587.db2.gz AENXEMZKSSQRGL-ZDUSSCGKSA-N 1 2 283.335 1.074 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2nc(C)nn2c1 ZINC000839749600 825979607 /nfs/dbraw/zinc/97/96/07/825979607.db2.gz AENXEMZKSSQRGL-ZDUSSCGKSA-N 1 2 283.335 1.074 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2[nH]cnc2CC)C1 ZINC001032159308 826006604 /nfs/dbraw/zinc/00/66/04/826006604.db2.gz ZGJKLBIPXVDPQF-UHFFFAOYSA-N 1 2 282.775 1.386 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc3ccccc3nn2)C1 ZINC001043503513 826069303 /nfs/dbraw/zinc/06/93/03/826069303.db2.gz VGKOCEXUWDGBJD-UHFFFAOYSA-N 1 2 294.358 1.409 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1nc(C(C)C)cs1 ZINC000884062472 826083723 /nfs/dbraw/zinc/08/37/23/826083723.db2.gz RIQFWTGXCWGEAL-VIFPVBQESA-N 1 2 297.380 1.652 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc(OC)c1 ZINC001032765024 826100607 /nfs/dbraw/zinc/10/06/07/826100607.db2.gz SUXXFLUXPDPUGY-GJZGRUSLSA-N 1 2 284.359 1.156 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc(OC)c1 ZINC001032765024 826100614 /nfs/dbraw/zinc/10/06/14/826100614.db2.gz SUXXFLUXPDPUGY-GJZGRUSLSA-N 1 2 284.359 1.156 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)on1 ZINC001010634260 826125766 /nfs/dbraw/zinc/12/57/66/826125766.db2.gz BENQOZDCAMEAMG-GFCCVEGCSA-N 1 2 299.334 1.187 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)on1 ZINC001010634260 826125816 /nfs/dbraw/zinc/12/58/16/826125816.db2.gz BENQOZDCAMEAMG-GFCCVEGCSA-N 1 2 299.334 1.187 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1snnc1CC ZINC001032504799 826187343 /nfs/dbraw/zinc/18/73/43/826187343.db2.gz RKJHEFDKDGPZPK-QWRGUYRKSA-N 1 2 292.408 1.575 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1snnc1CC ZINC001032504799 826187354 /nfs/dbraw/zinc/18/73/54/826187354.db2.gz RKJHEFDKDGPZPK-QWRGUYRKSA-N 1 2 292.408 1.575 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(C)(F)F ZINC001032633440 826189394 /nfs/dbraw/zinc/18/93/94/826189394.db2.gz NNALRSPQDZYLGH-VWYCJHECSA-N 1 2 256.296 1.196 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(C)(F)F ZINC001032633440 826189384 /nfs/dbraw/zinc/18/93/84/826189384.db2.gz NNALRSPQDZYLGH-VWYCJHECSA-N 1 2 256.296 1.196 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccccc2[nH]1 ZINC001032772220 826255724 /nfs/dbraw/zinc/25/57/24/826255724.db2.gz FPBBIBVQHSDLGE-KBPBESRZSA-N 1 2 279.343 1.700 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccccc2[nH]1 ZINC001032772220 826255732 /nfs/dbraw/zinc/25/57/32/826255732.db2.gz FPBBIBVQHSDLGE-KBPBESRZSA-N 1 2 279.343 1.700 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1OCC=C ZINC001038428532 826298437 /nfs/dbraw/zinc/29/84/37/826298437.db2.gz SJRKOGHVPMMXOT-CQSZACIVSA-N 1 2 284.359 1.689 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1OCC=C ZINC001038428532 826298445 /nfs/dbraw/zinc/29/84/45/826298445.db2.gz SJRKOGHVPMMXOT-CQSZACIVSA-N 1 2 284.359 1.689 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1OC ZINC001032747299 826305557 /nfs/dbraw/zinc/30/55/57/826305557.db2.gz TZSYDOLWMOGRKJ-STQMWFEESA-N 1 2 270.332 1.227 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1OC ZINC001032747299 826305569 /nfs/dbraw/zinc/30/55/69/826305569.db2.gz TZSYDOLWMOGRKJ-STQMWFEESA-N 1 2 270.332 1.227 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CCNc1nnc(C)c(C)c1C#N ZINC000872770862 826310465 /nfs/dbraw/zinc/31/04/65/826310465.db2.gz BBOZFXZIKYMDHN-ZDUSSCGKSA-N 1 2 289.383 1.488 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CCNc1nnc(C)c(C)c1C#N ZINC000872770862 826310471 /nfs/dbraw/zinc/31/04/71/826310471.db2.gz BBOZFXZIKYMDHN-ZDUSSCGKSA-N 1 2 289.383 1.488 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ncc(C(C)C)s1 ZINC000884153447 826324023 /nfs/dbraw/zinc/32/40/23/826324023.db2.gz LBQXSFFHEAZJKU-VIFPVBQESA-N 1 2 297.380 1.652 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001031239818 826375781 /nfs/dbraw/zinc/37/57/81/826375781.db2.gz CXTLEBIXCWQYPY-UHFFFAOYSA-N 1 2 259.353 1.494 20 30 CDEDLO C=CC(C)(C)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868703371 826377293 /nfs/dbraw/zinc/37/72/93/826377293.db2.gz GKYUBNRTYNZPOT-WAYWQWQTSA-N 1 2 252.358 1.203 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001009569662 826379085 /nfs/dbraw/zinc/37/90/85/826379085.db2.gz AKMSHXZDKUVPOH-ZDUSSCGKSA-N 1 2 281.787 1.890 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001009569662 826379092 /nfs/dbraw/zinc/37/90/92/826379092.db2.gz AKMSHXZDKUVPOH-ZDUSSCGKSA-N 1 2 281.787 1.890 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@H]1C(C)C ZINC001017606439 826414110 /nfs/dbraw/zinc/41/41/10/826414110.db2.gz PVQKJHZIRCUURP-FZKCQIBNSA-N 1 2 290.407 1.356 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@H]1C(C)C ZINC001017606439 826414132 /nfs/dbraw/zinc/41/41/32/826414132.db2.gz PVQKJHZIRCUURP-FZKCQIBNSA-N 1 2 290.407 1.356 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1Cc2ccccc2O1 ZINC001032419609 826417440 /nfs/dbraw/zinc/41/74/40/826417440.db2.gz CCKPXNQGBOJQTN-HRCADAONSA-N 1 2 296.370 1.299 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1Cc2ccccc2O1 ZINC001032419609 826417442 /nfs/dbraw/zinc/41/74/42/826417442.db2.gz CCKPXNQGBOJQTN-HRCADAONSA-N 1 2 296.370 1.299 20 30 CDEDLO N#CC1(C[NH2+]Cc2cccc(S(N)(=O)=O)c2)CCC1 ZINC000877595125 826437644 /nfs/dbraw/zinc/43/76/44/826437644.db2.gz SIANDEIOXVXDFA-UHFFFAOYSA-N 1 2 279.365 1.117 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001001162415 826523361 /nfs/dbraw/zinc/52/33/61/826523361.db2.gz FFCYEHDCZDDCNS-RISCZKNCSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001001162415 826523379 /nfs/dbraw/zinc/52/33/79/826523379.db2.gz FFCYEHDCZDDCNS-RISCZKNCSA-N 1 2 298.814 1.912 20 30 CDEDLO C#CCOc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000857947870 826621148 /nfs/dbraw/zinc/62/11/48/826621148.db2.gz DVBRHFCYZNMDGB-CQSZACIVSA-N 1 2 295.342 1.640 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2[nH]c(=O)n(C)c2c1 ZINC000799825244 826782626 /nfs/dbraw/zinc/78/26/26/826782626.db2.gz DFZRJQGPOCKGBA-ZDUSSCGKSA-N 1 2 298.346 1.315 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2[nH]c(=O)n(C)c2c1 ZINC000799825244 826782647 /nfs/dbraw/zinc/78/26/47/826782647.db2.gz DFZRJQGPOCKGBA-ZDUSSCGKSA-N 1 2 298.346 1.315 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CC3CC3)C[C@@H]21 ZINC001074140126 826803808 /nfs/dbraw/zinc/80/38/08/826803808.db2.gz BSHOTDXFAZPSOR-GJZGRUSLSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC3CC3)C[C@@H]21 ZINC001074140126 826803810 /nfs/dbraw/zinc/80/38/10/826803810.db2.gz BSHOTDXFAZPSOR-GJZGRUSLSA-N 1 2 276.380 1.112 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)c(C)n1 ZINC001038522974 826806526 /nfs/dbraw/zinc/80/65/26/826806526.db2.gz IXKRIUWUTOGCBX-CQSZACIVSA-N 1 2 271.364 1.526 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)c(C)n1 ZINC001038522974 826806530 /nfs/dbraw/zinc/80/65/30/826806530.db2.gz IXKRIUWUTOGCBX-CQSZACIVSA-N 1 2 271.364 1.526 20 30 CDEDLO C#CC[C@H]1NC(=O)N(Cc2cc(C)[nH+]c(C)c2)C1=O ZINC000817572917 826819799 /nfs/dbraw/zinc/81/97/99/826819799.db2.gz FMZAYWNIIPHNQY-GFCCVEGCSA-N 1 2 257.293 1.142 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)(C)C)on1 ZINC001038495094 826830791 /nfs/dbraw/zinc/83/07/91/826830791.db2.gz DVVIBAPZMDBAGG-LLVKDONJSA-N 1 2 277.368 1.962 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)(C)C)on1 ZINC001038495094 826830793 /nfs/dbraw/zinc/83/07/93/826830793.db2.gz DVVIBAPZMDBAGG-LLVKDONJSA-N 1 2 277.368 1.962 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2c(C)nn(CC)c2C)C1 ZINC001031272194 826834110 /nfs/dbraw/zinc/83/41/10/826834110.db2.gz LTMJOASZZXOTAG-UHFFFAOYSA-N 1 2 290.411 1.439 20 30 CDEDLO C=CCOC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000132550075 826869760 /nfs/dbraw/zinc/86/97/60/826869760.db2.gz NRQSTOIMDUTIJI-AVGNSLFASA-N 1 2 255.358 1.849 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2nnn(C)c2C)C1 ZINC001046208794 826878931 /nfs/dbraw/zinc/87/89/31/826878931.db2.gz OIOULOIEKIOKDZ-ZDUSSCGKSA-N 1 2 297.790 1.070 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2nnn(C)c2C)C1 ZINC001046208794 826878932 /nfs/dbraw/zinc/87/89/32/826878932.db2.gz OIOULOIEKIOKDZ-ZDUSSCGKSA-N 1 2 297.790 1.070 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3c2OCC3)C1 ZINC001030996824 826891581 /nfs/dbraw/zinc/89/15/81/826891581.db2.gz NHIMTVCCMLZNMZ-UHFFFAOYSA-N 1 2 270.332 1.059 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)c2ccnn2C)C1 ZINC001014467116 826899778 /nfs/dbraw/zinc/89/97/78/826899778.db2.gz CYTTUTCFXCHSDC-NEPJUHHUSA-N 1 2 296.802 1.467 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2ccnn2C)C1 ZINC001014467116 826899781 /nfs/dbraw/zinc/89/97/81/826899781.db2.gz CYTTUTCFXCHSDC-NEPJUHHUSA-N 1 2 296.802 1.467 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(N(C)C)ccn2)C1 ZINC001044360978 826983654 /nfs/dbraw/zinc/98/36/54/826983654.db2.gz XMSMFCSWKCISOZ-UHFFFAOYSA-N 1 2 288.395 1.480 20 30 CDEDLO C=CCN1CCN(C[N@@H+](CC=C)[C@@H](C)COC)C1=O ZINC000853534085 827002777 /nfs/dbraw/zinc/00/27/77/827002777.db2.gz GOGHDXUBFCIUDW-ZDUSSCGKSA-N 1 2 267.373 1.390 20 30 CDEDLO C=CCN1CCN(C[N@H+](CC=C)[C@@H](C)COC)C1=O ZINC000853534085 827002786 /nfs/dbraw/zinc/00/27/86/827002786.db2.gz GOGHDXUBFCIUDW-ZDUSSCGKSA-N 1 2 267.373 1.390 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]1OC ZINC001017675804 827036999 /nfs/dbraw/zinc/03/69/99/827036999.db2.gz KWPRDAGHXSHWBW-XUWVNRHRSA-N 1 2 290.407 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]1OC ZINC001017675804 827037010 /nfs/dbraw/zinc/03/70/10/827037010.db2.gz KWPRDAGHXSHWBW-XUWVNRHRSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)CSC2CC2)CC1 ZINC000822935157 827173418 /nfs/dbraw/zinc/17/34/18/827173418.db2.gz NYQDJZDECWPOFO-UHFFFAOYSA-N 1 2 252.383 1.050 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cscc2Cl)C1 ZINC001030487181 827220240 /nfs/dbraw/zinc/22/02/40/827220240.db2.gz FATJNEWGFVUGGC-UHFFFAOYSA-N 1 2 268.769 1.839 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)c3ccccc32)C1 ZINC000923564410 827278766 /nfs/dbraw/zinc/27/87/66/827278766.db2.gz QVSGQSQOMLFSSW-BBRMVZONSA-N 1 2 296.370 1.570 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)c3ccccc32)C1 ZINC000923564410 827278779 /nfs/dbraw/zinc/27/87/79/827278779.db2.gz QVSGQSQOMLFSSW-BBRMVZONSA-N 1 2 296.370 1.570 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCCCO2)C1 ZINC001031610214 827349338 /nfs/dbraw/zinc/34/93/38/827349338.db2.gz AZZVZLHBFNYSSJ-LBPRGKRZSA-N 1 2 272.776 1.356 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)C(C#N)(CC)CC ZINC000928636993 827350267 /nfs/dbraw/zinc/35/02/67/827350267.db2.gz YKHUIXZNDYEWOO-ZDUSSCGKSA-N 1 2 281.400 1.543 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2CC(F)(F)C2)C1 ZINC001035333184 827431988 /nfs/dbraw/zinc/43/19/88/827431988.db2.gz ICASHJVEYTUCBL-LLVKDONJSA-N 1 2 274.311 1.035 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C2CC(F)(F)C2)C1 ZINC001035333184 827431999 /nfs/dbraw/zinc/43/19/99/827431999.db2.gz ICASHJVEYTUCBL-LLVKDONJSA-N 1 2 274.311 1.035 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccsc2C)C1 ZINC001035351880 827441578 /nfs/dbraw/zinc/44/15/78/827441578.db2.gz GVFPNYLDFFRPEF-LBPRGKRZSA-N 1 2 280.393 1.673 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccsc2C)C1 ZINC001035351880 827441586 /nfs/dbraw/zinc/44/15/86/827441586.db2.gz GVFPNYLDFFRPEF-LBPRGKRZSA-N 1 2 280.393 1.673 20 30 CDEDLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000930833728 827445438 /nfs/dbraw/zinc/44/54/38/827445438.db2.gz IKSIHJRZQJIJPK-OZTPJHRESA-N 1 2 287.363 1.189 20 30 CDEDLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000930833728 827445453 /nfs/dbraw/zinc/44/54/53/827445453.db2.gz IKSIHJRZQJIJPK-OZTPJHRESA-N 1 2 287.363 1.189 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccn3c2CCCC3)C1 ZINC001042953282 827457601 /nfs/dbraw/zinc/45/76/01/827457601.db2.gz MJDGBEYHFDQTHY-UHFFFAOYSA-N 1 2 273.380 1.767 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2nccc3ccccc32)C1 ZINC001030863792 827469656 /nfs/dbraw/zinc/46/96/56/827469656.db2.gz GVRZCGZSSQGGEL-UHFFFAOYSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C(\C)c2ccccc2OC)CC1 ZINC000076023003 827476488 /nfs/dbraw/zinc/47/64/88/827476488.db2.gz MXCKRZRRQHOPIJ-CCEZHUSRSA-N 1 2 298.386 1.876 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cccs1 ZINC001018252827 827531719 /nfs/dbraw/zinc/53/17/19/827531719.db2.gz DFHWMSAKVBIPTN-OKILXGFUSA-N 1 2 288.416 1.989 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cccs1 ZINC001018252827 827531742 /nfs/dbraw/zinc/53/17/42/827531742.db2.gz DFHWMSAKVBIPTN-OKILXGFUSA-N 1 2 288.416 1.989 20 30 CDEDLO COc1ccc(O)c(/C=[NH+]\CCCNC(=O)C(C)C)c1 ZINC000255560086 827558680 /nfs/dbraw/zinc/55/86/80/827558680.db2.gz LDIZILOZXAPZFP-YBEGLDIGSA-N 1 2 278.352 1.982 20 30 CDEDLO CS(=O)(=O)CC[N@H+](CCc1ccc(C#N)cc1)C1CC1 ZINC000851867070 827660904 /nfs/dbraw/zinc/66/09/04/827660904.db2.gz WXNHMOLWCCNFTQ-UHFFFAOYSA-N 1 2 292.404 1.610 20 30 CDEDLO CS(=O)(=O)CC[N@@H+](CCc1ccc(C#N)cc1)C1CC1 ZINC000851867070 827660935 /nfs/dbraw/zinc/66/09/35/827660935.db2.gz WXNHMOLWCCNFTQ-UHFFFAOYSA-N 1 2 292.404 1.610 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](F)c1ccccc1 ZINC001032652913 827682587 /nfs/dbraw/zinc/68/25/87/827682587.db2.gz GDCSUSUFNSMVCU-KKUMJFAQSA-N 1 2 272.323 1.616 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](F)c1ccccc1 ZINC001032652913 827682598 /nfs/dbraw/zinc/68/25/98/827682598.db2.gz GDCSUSUFNSMVCU-KKUMJFAQSA-N 1 2 272.323 1.616 20 30 CDEDLO CC[C@H](F)C[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038175397 827688047 /nfs/dbraw/zinc/68/80/47/827688047.db2.gz OQSPSBCSAFTCGK-AAEUAGOBSA-N 1 2 278.331 1.439 20 30 CDEDLO CC[C@H](F)C[N@H+]1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038175397 827688065 /nfs/dbraw/zinc/68/80/65/827688065.db2.gz OQSPSBCSAFTCGK-AAEUAGOBSA-N 1 2 278.331 1.439 20 30 CDEDLO C#C[C@H]([NH2+][C@H](C)C(=O)c1c[nH]c2ncccc12)[C@@H]1CCCO1 ZINC000775793772 827803977 /nfs/dbraw/zinc/80/39/77/827803977.db2.gz NWDRBHWMLGXXKJ-UGFHNGPFSA-N 1 2 297.358 1.905 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)cc(F)c1 ZINC001018243785 827809323 /nfs/dbraw/zinc/80/93/23/827809323.db2.gz PKUOEPDJDAVRRP-GASCZTMLSA-N 1 2 290.313 1.887 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)cc(F)c1 ZINC001018243785 827809324 /nfs/dbraw/zinc/80/93/24/827809324.db2.gz PKUOEPDJDAVRRP-GASCZTMLSA-N 1 2 290.313 1.887 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc2ccccc21 ZINC001038483307 827857867 /nfs/dbraw/zinc/85/78/67/827857867.db2.gz NGHRPRVGMYJTRC-ZDUSSCGKSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc2ccccc21 ZINC001038483307 827857871 /nfs/dbraw/zinc/85/78/71/827857871.db2.gz NGHRPRVGMYJTRC-ZDUSSCGKSA-N 1 2 279.343 1.672 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC2(C1)OCCO2 ZINC000160714219 827857984 /nfs/dbraw/zinc/85/79/84/827857984.db2.gz VFQHODAULAXVRC-ZDUSSCGKSA-N 1 2 282.384 1.248 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC2(C1)OCCO2 ZINC000160714219 827857990 /nfs/dbraw/zinc/85/79/90/827857990.db2.gz VFQHODAULAXVRC-ZDUSSCGKSA-N 1 2 282.384 1.248 20 30 CDEDLO CC(C)(C)OC(=O)NCCOCC[N@@H+]1CCC[C@H](C#N)C1 ZINC000932154636 827858603 /nfs/dbraw/zinc/85/86/03/827858603.db2.gz LZTGLDQVRVOUOR-CYBMUJFWSA-N 1 2 297.399 1.763 20 30 CDEDLO CC(C)(C)OC(=O)NCCOCC[N@H+]1CCC[C@H](C#N)C1 ZINC000932154636 827858608 /nfs/dbraw/zinc/85/86/08/827858608.db2.gz LZTGLDQVRVOUOR-CYBMUJFWSA-N 1 2 297.399 1.763 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1CCC(F)(F)CC1 ZINC001038739337 827861628 /nfs/dbraw/zinc/86/16/28/827861628.db2.gz KGCCYJOYZYFRKD-LBPRGKRZSA-N 1 2 270.323 1.636 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1CCC(F)(F)CC1 ZINC001038739337 827861630 /nfs/dbraw/zinc/86/16/30/827861630.db2.gz KGCCYJOYZYFRKD-LBPRGKRZSA-N 1 2 270.323 1.636 20 30 CDEDLO C#CCNc1nc(N(C)CCC)[nH+]c(N(C)CCC)n1 ZINC000804392148 827868273 /nfs/dbraw/zinc/86/82/73/827868273.db2.gz VYTRRUYMTIWQTF-UHFFFAOYSA-N 1 2 276.388 1.031 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC001054055064 827882347 /nfs/dbraw/zinc/88/23/47/827882347.db2.gz CVGYLURZMUYJBH-DLBZAZTESA-N 1 2 294.398 1.963 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC001054055064 827882351 /nfs/dbraw/zinc/88/23/51/827882351.db2.gz CVGYLURZMUYJBH-DLBZAZTESA-N 1 2 294.398 1.963 20 30 CDEDLO C=C(Br)C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111696363 827967821 /nfs/dbraw/zinc/96/78/21/827967821.db2.gz VLHWLBBRILDHEI-NSHDSACASA-N 1 2 287.201 1.982 20 30 CDEDLO C=C(Br)C[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111696363 827967842 /nfs/dbraw/zinc/96/78/42/827967842.db2.gz VLHWLBBRILDHEI-NSHDSACASA-N 1 2 287.201 1.982 20 30 CDEDLO O=C(C=Cc1[nH]cc[nH+]1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000826402883 827991344 /nfs/dbraw/zinc/99/13/44/827991344.db2.gz FBEBBCBPDWKUBP-ONEGZZNKSA-N 1 2 284.254 1.625 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001031331129 828017012 /nfs/dbraw/zinc/01/70/12/828017012.db2.gz ZBUHFDKYUYLOQJ-HNNXBMFYSA-N 1 2 288.778 1.803 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2csnn2)C(C)(C)C1 ZINC000995569467 828028645 /nfs/dbraw/zinc/02/86/45/828028645.db2.gz AHARRXYRXLJKHQ-KOLCDFICSA-N 1 2 293.396 1.024 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nncc2ccccc21 ZINC001038503687 828060783 /nfs/dbraw/zinc/06/07/83/828060783.db2.gz HUXGOZDKNGFBND-CQSZACIVSA-N 1 2 294.358 1.457 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1nncc2ccccc21 ZINC001038503687 828060794 /nfs/dbraw/zinc/06/07/94/828060794.db2.gz HUXGOZDKNGFBND-CQSZACIVSA-N 1 2 294.358 1.457 20 30 CDEDLO Cn1cc(C(=O)/C=C/c2cccc3[nH+]ccn32)cn1 ZINC000178944910 828077944 /nfs/dbraw/zinc/07/79/44/828077944.db2.gz HHWPREWBERPKPA-AATRIKPKSA-N 1 2 252.277 1.964 20 30 CDEDLO COCC1(O)C[NH+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000839142485 828089121 /nfs/dbraw/zinc/08/91/21/828089121.db2.gz HPIUZOMHCAKLPV-GFCCVEGCSA-N 1 2 276.336 1.171 20 30 CDEDLO C=C(C)C[C@H](CO)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000883006771 828089439 /nfs/dbraw/zinc/08/94/39/828089439.db2.gz BWMYTDXYUFCLSE-GFCCVEGCSA-N 1 2 262.357 1.816 20 30 CDEDLO C=C(C)C[C@H](CO)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000883006771 828089448 /nfs/dbraw/zinc/08/94/48/828089448.db2.gz BWMYTDXYUFCLSE-GFCCVEGCSA-N 1 2 262.357 1.816 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1coc(C)n1 ZINC001050881319 828110595 /nfs/dbraw/zinc/11/05/95/828110595.db2.gz FSUBTJMCGSODCE-ZDUSSCGKSA-N 1 2 293.367 1.380 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1coc(C)n1 ZINC001050881319 828110612 /nfs/dbraw/zinc/11/06/12/828110612.db2.gz FSUBTJMCGSODCE-ZDUSSCGKSA-N 1 2 293.367 1.380 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC/C=C\c1ccccc1 ZINC000884379785 828215509 /nfs/dbraw/zinc/21/55/09/828215509.db2.gz JQFGXFRSPSBNGG-PIZKADEWSA-N 1 2 288.347 1.263 20 30 CDEDLO CC#CC[NH+]1CCC(CNC(=O)c2[nH]nc(C)c2C)CC1 ZINC001001263218 828223829 /nfs/dbraw/zinc/22/38/29/828223829.db2.gz CRCSLBMAHIAQCE-UHFFFAOYSA-N 1 2 288.395 1.492 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852433610 828252230 /nfs/dbraw/zinc/25/22/30/828252230.db2.gz WIMQWXAXNVKLPD-SECBINFHSA-N 1 2 275.146 1.422 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852433610 828252242 /nfs/dbraw/zinc/25/22/42/828252242.db2.gz WIMQWXAXNVKLPD-SECBINFHSA-N 1 2 275.146 1.422 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC001031003488 828308825 /nfs/dbraw/zinc/30/88/25/828308825.db2.gz BDHRJEGJDVPMBS-UHFFFAOYSA-N 1 2 294.757 1.845 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001008212305 828309502 /nfs/dbraw/zinc/30/95/02/828309502.db2.gz AGVHBVHXYMXOQK-DLOVCJGASA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001008212305 828309512 /nfs/dbraw/zinc/30/95/12/828309512.db2.gz AGVHBVHXYMXOQK-DLOVCJGASA-N 1 2 256.777 1.976 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@]2(NC(=O)c3[nH]ncc3F)CCC[C@H]12 ZINC000992168389 912778326 /nfs/dbraw/zinc/77/83/26/912778326.db2.gz GHDHXZJKUSAUTB-WFASDCNBSA-N 1 2 290.342 1.299 20 30 CDEDLO CC#CC[N@H+]1CC[C@@]2(NC(=O)c3[nH]ncc3F)CCC[C@H]12 ZINC000992168389 912778330 /nfs/dbraw/zinc/77/83/30/912778330.db2.gz GHDHXZJKUSAUTB-WFASDCNBSA-N 1 2 290.342 1.299 20 30 CDEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cocn1 ZINC001272378197 912976407 /nfs/dbraw/zinc/97/64/07/912976407.db2.gz RMWQTFOYDVEQTN-ZIAGYGMSSA-N 1 2 288.351 1.544 20 30 CDEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cocn1 ZINC001272378197 912976418 /nfs/dbraw/zinc/97/64/18/912976418.db2.gz RMWQTFOYDVEQTN-ZIAGYGMSSA-N 1 2 288.351 1.544 20 30 CDEDLO Cc1nc(N=C2CCC[N@@H+](C)C2)c(C#N)cc1C#N ZINC001175574951 913682308 /nfs/dbraw/zinc/68/23/08/913682308.db2.gz GXNVUIRMBCLDGV-UHFFFAOYSA-N 1 2 253.309 1.765 20 30 CDEDLO Cc1nc(N=C2CCC[N@H+](C)C2)c(C#N)cc1C#N ZINC001175574951 913682314 /nfs/dbraw/zinc/68/23/14/913682314.db2.gz GXNVUIRMBCLDGV-UHFFFAOYSA-N 1 2 253.309 1.765 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C3(F)CCCCC3)[C@H]2C1 ZINC001083239478 896724943 /nfs/dbraw/zinc/72/49/43/896724943.db2.gz DAAVGJDYCQJXTH-UONOGXRCSA-N 1 2 294.370 1.204 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3(F)CCCCC3)[C@H]2C1 ZINC001083239478 896724953 /nfs/dbraw/zinc/72/49/53/896724953.db2.gz DAAVGJDYCQJXTH-UONOGXRCSA-N 1 2 294.370 1.204 20 30 CDEDLO Cc1nc(NC[C@@H](C)N(C)C(=O)C#CC2CC2)cc[nH+]1 ZINC001104552965 898563895 /nfs/dbraw/zinc/56/38/95/898563895.db2.gz AZWSFYLENGZCHY-LLVKDONJSA-N 1 2 272.352 1.457 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCCCC)C[C@H]21 ZINC001176917350 914393464 /nfs/dbraw/zinc/39/34/64/914393464.db2.gz HFLNBEIBWFQWDR-HZPDHXFCSA-N 1 2 292.423 1.892 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCCC)C[C@H]21 ZINC001176917350 914393483 /nfs/dbraw/zinc/39/34/83/914393483.db2.gz HFLNBEIBWFQWDR-HZPDHXFCSA-N 1 2 292.423 1.892 20 30 CDEDLO N#Cc1n[nH]cc1NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176957945 914399014 /nfs/dbraw/zinc/39/90/14/914399014.db2.gz SESYMSLFQNAWAK-LLVKDONJSA-N 1 2 296.334 1.531 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cccc(F)c2OC)CC1 ZINC001143529652 901425459 /nfs/dbraw/zinc/42/54/59/901425459.db2.gz AJJOJYNGCBEQNG-UHFFFAOYSA-N 1 2 262.328 1.585 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001031656038 914869870 /nfs/dbraw/zinc/86/98/70/914869870.db2.gz RVNIXKIPGLHXMK-VIFPVBQESA-N 1 2 264.703 1.442 20 30 CDEDLO C=CC(C)(C)C(=O)NCc1cnn2c1C[N@H+](C(C)C)CC2 ZINC001128438279 921303296 /nfs/dbraw/zinc/30/32/96/921303296.db2.gz XALJTDVIPVXGFV-UHFFFAOYSA-N 1 2 290.411 1.936 20 30 CDEDLO C=CC(C)(C)C(=O)NCc1cnn2c1C[N@@H+](C(C)C)CC2 ZINC001128438279 921303299 /nfs/dbraw/zinc/30/32/99/921303299.db2.gz XALJTDVIPVXGFV-UHFFFAOYSA-N 1 2 290.411 1.936 20 30 CDEDLO CCc1nnc([C@@H](C)[NH2+]CCNC(=O)C#CC(C)C)o1 ZINC001126823061 909320546 /nfs/dbraw/zinc/32/05/46/909320546.db2.gz NUYJTTOPVNHDKC-LLVKDONJSA-N 1 2 278.356 1.058 20 30 CDEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1nccn12 ZINC001092389214 909388051 /nfs/dbraw/zinc/38/80/51/909388051.db2.gz PPIQIJODBDVHAS-IHRRRGAJSA-N 1 2 298.390 1.134 20 30 CDEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3nccs3)C2)OCC1=O ZINC001273013450 921522865 /nfs/dbraw/zinc/52/28/65/921522865.db2.gz AMTFUBBJZLSHAJ-AWEZNQCLSA-N 1 2 293.392 1.132 20 30 CDEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3nccs3)C2)OCC1=O ZINC001273013450 921522879 /nfs/dbraw/zinc/52/28/79/921522879.db2.gz AMTFUBBJZLSHAJ-AWEZNQCLSA-N 1 2 293.392 1.132 20 30 CDEDLO N#CCc1ccc(N[C@@H]2CCC[N@@H+](C3COC3)C2)nc1 ZINC001168367933 910148294 /nfs/dbraw/zinc/14/82/94/910148294.db2.gz YCVOFECTQVGMIZ-CYBMUJFWSA-N 1 2 272.352 1.423 20 30 CDEDLO N#CCc1ccc(N[C@@H]2CCC[N@H+](C3COC3)C2)nc1 ZINC001168367933 910148299 /nfs/dbraw/zinc/14/82/99/910148299.db2.gz YCVOFECTQVGMIZ-CYBMUJFWSA-N 1 2 272.352 1.423 20 30 CDEDLO Cc1cccc2c1CC[C@@H](N1CC[NH2+]C[C@H]1C#N)C2 ZINC001171565383 910830101 /nfs/dbraw/zinc/83/01/01/910830101.db2.gz OKSAANIHMWCTNX-HUUCEWRRSA-N 1 2 255.365 1.650 20 30 CDEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2c1cc[nH+]c(OC)c1 ZINC001273586249 921622662 /nfs/dbraw/zinc/62/26/62/921622662.db2.gz ZAHREXJWXRWENF-ZIAGYGMSSA-N 1 2 285.347 1.293 20 30 CDEDLO N#CC1([NH2+][C@@H]2CCN3C(=O)CC[C@H]3C2)CCCCC1 ZINC001172173254 911427484 /nfs/dbraw/zinc/42/74/84/911427484.db2.gz UVCFWEMBYGCQGF-OLZOCXBDSA-N 1 2 261.369 1.956 20 30 CDEDLO COC(=O)[C@H](CCc1cn(C)cn1)[NH2+][C@H](C)CCCC#N ZINC001172493036 911731195 /nfs/dbraw/zinc/73/11/95/911731195.db2.gz RSQNWBVMIURIQQ-OCCSQVGLSA-N 1 2 292.383 1.566 20 30 CDEDLO C[C@@H](C#N)N(C)C1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC001172894612 912050605 /nfs/dbraw/zinc/05/06/05/912050605.db2.gz SYGGFCJXPGQVAP-LBPRGKRZSA-N 1 2 281.400 1.636 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2(c3ccc(C)cn3)CC2)CC1 ZINC001178141539 915211002 /nfs/dbraw/zinc/21/10/02/915211002.db2.gz OPZFJAMWGJOFGF-UHFFFAOYSA-N 1 2 285.391 1.752 20 30 CDEDLO CC(C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178121405 915228268 /nfs/dbraw/zinc/22/82/68/915228268.db2.gz HEGRZTUQEPWEKE-DOMZBBRYSA-N 1 2 274.368 1.890 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2cc(OC)cnc2F)CC1 ZINC001178425623 915438667 /nfs/dbraw/zinc/43/86/67/915438667.db2.gz YYXUWHCNAAKAEK-UHFFFAOYSA-N 1 2 293.342 1.102 20 30 CDEDLO Cc1nc(NC2CCC(NC(=O)[C@@H](C)C#N)CC2)cc[nH+]1 ZINC001097617200 936317315 /nfs/dbraw/zinc/31/73/15/936317315.db2.gz RIONJOXXLYKBIN-PKSQDBQZSA-N 1 2 287.367 1.784 20 30 CDEDLO C=CCOCC(=O)NCC[NH2+][C@H](C)c1nc(C(C)C)no1 ZINC001124773762 936336882 /nfs/dbraw/zinc/33/68/82/936336882.db2.gz WROZSDNTDSXHNP-LLVKDONJSA-N 1 2 296.371 1.162 20 30 CDEDLO COC(=O)[C@H](CS)[NH2+]C1CCc2ccccc2CC1 ZINC001254451588 936350873 /nfs/dbraw/zinc/35/08/73/936350873.db2.gz WZWQANBQTPEBTR-AWEZNQCLSA-N 1 2 279.405 1.995 20 30 CDEDLO Cc1cc(N[C@@H](C)CNC(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001097732089 936358923 /nfs/dbraw/zinc/35/89/23/936358923.db2.gz JSVNRXZNISCRHL-PWSUYJOCSA-N 1 2 289.383 1.985 20 30 CDEDLO Cc1nc(N[C@@H](C)CNC(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001097777175 936373301 /nfs/dbraw/zinc/37/33/01/936373301.db2.gz DXFDZDWHAKTREX-VIFPVBQESA-N 1 2 284.323 1.215 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1cn(C)nc1C ZINC001485313823 916796425 /nfs/dbraw/zinc/79/64/25/916796425.db2.gz PNPIRMMALAMTIQ-LLVKDONJSA-N 1 2 298.818 1.460 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1cn(C)nc1C ZINC001485313823 916796436 /nfs/dbraw/zinc/79/64/36/916796436.db2.gz PNPIRMMALAMTIQ-LLVKDONJSA-N 1 2 298.818 1.460 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nnc(C)o2)C1 ZINC001181535614 917136171 /nfs/dbraw/zinc/13/61/71/917136171.db2.gz YJWQNIHEQBOLIF-CMPLNLGQSA-N 1 2 278.356 1.596 20 30 CDEDLO CC(C)(C)OC(=O)[C@H]([NH3+])C1CN([C@H]2CC[C@@H](C#N)C2)C1 ZINC001254653818 936435958 /nfs/dbraw/zinc/43/59/58/936435958.db2.gz QEHBWAWXBHKXMS-KGYLQXTDSA-N 1 2 279.384 1.279 20 30 CDEDLO C#CCCCCC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001182107893 917661200 /nfs/dbraw/zinc/66/12/00/917661200.db2.gz ABPCFIPYTIINIV-CYBMUJFWSA-N 1 2 290.367 1.262 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H](O)CN(C)c1cc[nH+]c(C)n1 ZINC001125000987 917863862 /nfs/dbraw/zinc/86/38/62/917863862.db2.gz QFQSLIDWIHEEJD-CYBMUJFWSA-N 1 2 292.383 1.007 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(OC)c(O)c2F)CC1 ZINC001238372629 918045280 /nfs/dbraw/zinc/04/52/80/918045280.db2.gz DMCRYJHLPOYAOI-UHFFFAOYSA-N 1 2 278.327 1.291 20 30 CDEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1cnc(N)nc1)C2 ZINC001138161164 936482814 /nfs/dbraw/zinc/48/28/14/936482814.db2.gz NJVZYJJOBQDVFI-UHFFFAOYSA-N 1 2 265.320 1.489 20 30 CDEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1cnc(N)nc1)C2 ZINC001138161164 936482816 /nfs/dbraw/zinc/48/28/16/936482816.db2.gz NJVZYJJOBQDVFI-UHFFFAOYSA-N 1 2 265.320 1.489 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001115679961 918364486 /nfs/dbraw/zinc/36/44/86/918364486.db2.gz CSLYVHOYGFMLEU-NHYWBVRUSA-N 1 2 292.383 1.371 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C=C(C)C)C1 ZINC001107712000 918662735 /nfs/dbraw/zinc/66/27/35/918662735.db2.gz PWKQRXCKJRCHAZ-OAHLLOKOSA-N 1 2 264.369 1.183 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C=C(C)C)C1 ZINC001107712000 918662742 /nfs/dbraw/zinc/66/27/42/918662742.db2.gz PWKQRXCKJRCHAZ-OAHLLOKOSA-N 1 2 264.369 1.183 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC=CCC2)C1 ZINC001107731209 918708694 /nfs/dbraw/zinc/70/86/94/918708694.db2.gz LHUWXUMLCWYCJB-GOEBONIOSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC=CCC2)C1 ZINC001107731209 918708704 /nfs/dbraw/zinc/70/87/04/918708704.db2.gz LHUWXUMLCWYCJB-GOEBONIOSA-N 1 2 278.396 1.736 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)NC=N ZINC001183839706 918712592 /nfs/dbraw/zinc/71/25/92/918712592.db2.gz ZZCVEZBCOYZWII-CQSZACIVSA-N 1 2 270.336 1.636 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)NC=N ZINC001183839706 918712605 /nfs/dbraw/zinc/71/26/05/918712605.db2.gz ZZCVEZBCOYZWII-CQSZACIVSA-N 1 2 270.336 1.636 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c(F)cccc2OC)CC1 ZINC001138384958 936528783 /nfs/dbraw/zinc/52/87/83/936528783.db2.gz BEOBAUBZBOTQQD-UHFFFAOYSA-N 1 2 262.328 1.585 20 30 CDEDLO Cc1ncc(C#N)cc1NC(=O)CCc1ccc(N)[nH+]c1 ZINC001183928618 918772454 /nfs/dbraw/zinc/77/24/54/918772454.db2.gz DQOBFDZDSAVXIP-UHFFFAOYSA-N 1 2 281.319 1.810 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2CC=CC2)C1 ZINC001107833736 918850044 /nfs/dbraw/zinc/85/00/44/918850044.db2.gz 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926501934 /nfs/dbraw/zinc/50/19/34/926501934.db2.gz KJCJHSHETRFKDN-CYBMUJFWSA-N 1 2 288.395 1.621 20 30 CDEDLO C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1[nH]nc2ccccc21 ZINC001085955742 926540823 /nfs/dbraw/zinc/54/08/23/926540823.db2.gz IXODSYUNFBFJSA-CYBMUJFWSA-N 1 2 296.374 1.733 20 30 CDEDLO C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1[nH]nc2ccccc21 ZINC001085955742 926540832 /nfs/dbraw/zinc/54/08/32/926540832.db2.gz IXODSYUNFBFJSA-CYBMUJFWSA-N 1 2 296.374 1.733 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)C(C)C)C1 ZINC001108256399 926868098 /nfs/dbraw/zinc/86/80/98/926868098.db2.gz WKZSCDAQOBFTCO-ZBFHGGJFSA-N 1 2 280.412 1.509 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)C(C)C)C1 ZINC001108256399 926868109 /nfs/dbraw/zinc/86/81/09/926868109.db2.gz WKZSCDAQOBFTCO-ZBFHGGJFSA-N 1 2 280.412 1.509 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CCCOC2)C1 ZINC001108402818 927509466 /nfs/dbraw/zinc/50/94/66/927509466.db2.gz NOOYMCFIMMZQRQ-GOEBONIOSA-N 1 2 296.411 1.196 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CCCOC2)C1 ZINC001108402818 927509469 /nfs/dbraw/zinc/50/94/69/927509469.db2.gz NOOYMCFIMMZQRQ-GOEBONIOSA-N 1 2 296.411 1.196 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)C2CC2)C1 ZINC001108424142 927559580 /nfs/dbraw/zinc/55/95/80/927559580.db2.gz FXMFYOFIQVDHDA-PBHICJAKSA-N 1 2 292.423 1.653 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)C2CC2)C1 ZINC001108424142 927559585 /nfs/dbraw/zinc/55/95/85/927559585.db2.gz FXMFYOFIQVDHDA-PBHICJAKSA-N 1 2 292.423 1.653 20 30 CDEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C[C@@H](C)CC)CC2=O)C1 ZINC001108538982 928386579 /nfs/dbraw/zinc/38/65/79/928386579.db2.gz RZDSOMIJDQYSRB-STQMWFEESA-N 1 2 293.411 1.010 20 30 CDEDLO C=CC[C@H](Nc1c[nH+]c2c(c1)CCCN2)C(=O)OC ZINC001169844700 928465138 /nfs/dbraw/zinc/46/51/38/928465138.db2.gz MPDOJTOGOHMWOZ-LBPRGKRZSA-N 1 2 261.325 1.257 20 30 CDEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(F)F)C2 ZINC001108855648 928682603 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C=CCOCC(=O)N1CC[NH+](CCOCC(C)C)CC1 ZINC001112708344 929342058 /nfs/dbraw/zinc/34/20/58/929342058.db2.gz BBCDDYFFHCJTSO-UHFFFAOYSA-N 1 2 284.400 1.006 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(NC3(CO)COC3)c2c1 ZINC001157392843 929610563 /nfs/dbraw/zinc/61/05/63/929610563.db2.gz YQZMNUXTWLKFNG-UHFFFAOYSA-N 1 2 255.277 1.280 20 30 CDEDLO Cc1nc(C#N)cc(N2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000881769033 929898754 /nfs/dbraw/zinc/89/87/54/929898754.db2.gz LSKLFUHSOYEQDX-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO C=CCNC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001202570597 930319040 /nfs/dbraw/zinc/31/90/40/930319040.db2.gz CCIQBQRTQBJQLB-UHFFFAOYSA-N 1 2 275.352 1.826 20 30 CDEDLO C#CCOCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccon1 ZINC001153302576 937437600 /nfs/dbraw/zinc/43/76/00/937437600.db2.gz QNSOAQILMQVYFV-CYBMUJFWSA-N 1 2 293.367 1.041 20 30 CDEDLO C#CCOCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccon1 ZINC001153302576 937437602 /nfs/dbraw/zinc/43/76/02/937437602.db2.gz QNSOAQILMQVYFV-CYBMUJFWSA-N 1 2 293.367 1.041 20 30 CDEDLO CC[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](CCC#N)CC2 ZINC001274030447 931129069 /nfs/dbraw/zinc/12/90/69/931129069.db2.gz MZOBOCKQNGIVIS-STQMWFEESA-N 1 2 263.385 1.917 20 30 CDEDLO CC(=O)N1CC(Nc2cc(C3(C#N)CC3)cc[nH+]2)C1 ZINC001171075415 931492511 /nfs/dbraw/zinc/49/25/11/931492511.db2.gz MSLFEZQGRUHSSR-UHFFFAOYSA-N 1 2 256.309 1.279 20 30 CDEDLO C[N@@H+]1CCc2nc(C(=O)N3CCCC[C@H]3C#N)sc2C1 ZINC001154218356 937518458 /nfs/dbraw/zinc/51/84/58/937518458.db2.gz IFCNYENWUPLZEL-JTQLQIEISA-N 1 2 290.392 1.649 20 30 CDEDLO C[N@H+]1CCc2nc(C(=O)N3CCCC[C@H]3C#N)sc2C1 ZINC001154218356 937518461 /nfs/dbraw/zinc/51/84/61/937518461.db2.gz IFCNYENWUPLZEL-JTQLQIEISA-N 1 2 290.392 1.649 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccnc3cccnc32)CC1 ZINC001154302476 937527401 /nfs/dbraw/zinc/52/74/01/937527401.db2.gz LJZQCEHHRQPTCV-UHFFFAOYSA-N 1 2 282.347 1.574 20 30 CDEDLO C#CCOCCOCCNc1[nH+]cccc1OC ZINC001160668948 931950455 /nfs/dbraw/zinc/95/04/55/931950455.db2.gz KEVHRTNIENZAFU-UHFFFAOYSA-N 1 2 250.298 1.169 20 30 CDEDLO Cc1ccc(NC(=N)c2ccc(C(N)=O)cc2)[nH+]c1N ZINC001171252426 932133333 /nfs/dbraw/zinc/13/33/33/932133333.db2.gz FCZBAIGZUFCFMQ-UHFFFAOYSA-N 1 2 269.308 1.108 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]13C[C@H]1COC3)C2 ZINC001095443527 932488554 /nfs/dbraw/zinc/48/85/54/932488554.db2.gz SOURVUNQHWSXSC-KBRXKUPHSA-N 1 2 296.798 1.497 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]13C[C@H]1COC3)C2 ZINC001095443527 932488557 /nfs/dbraw/zinc/48/85/57/932488557.db2.gz SOURVUNQHWSXSC-KBRXKUPHSA-N 1 2 296.798 1.497 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc[nH]c2=S)CC1 ZINC001147672859 932573457 /nfs/dbraw/zinc/57/34/57/932573457.db2.gz OQYZYHMULYPSRH-UHFFFAOYSA-N 1 2 263.366 1.314 20 30 CDEDLO C[C@@H](c1ncccn1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000930543325 933398496 /nfs/dbraw/zinc/39/84/96/933398496.db2.gz SBGPQTXNRXYSRV-JSGCOSHPSA-N 1 2 295.346 1.958 20 30 CDEDLO C[C@@H](c1ncccn1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000930543325 933398505 /nfs/dbraw/zinc/39/85/05/933398505.db2.gz SBGPQTXNRXYSRV-JSGCOSHPSA-N 1 2 295.346 1.958 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932607352 933733773 /nfs/dbraw/zinc/73/37/73/933733773.db2.gz UHCLBCHNGSINOJ-CQSZACIVSA-N 1 2 261.369 1.903 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932607352 933733776 /nfs/dbraw/zinc/73/37/76/933733776.db2.gz UHCLBCHNGSINOJ-CQSZACIVSA-N 1 2 261.369 1.903 20 30 CDEDLO C[N@H+](CCOc1ccc(C#N)cc1)[C@H]1CC(C)(C)OC1=O ZINC000795710319 934918432 /nfs/dbraw/zinc/91/84/32/934918432.db2.gz NQJGQMNEGVESFZ-AWEZNQCLSA-N 1 2 288.347 1.963 20 30 CDEDLO C[N@@H+](CCOc1ccc(C#N)cc1)[C@H]1CC(C)(C)OC1=O ZINC000795710319 934918436 /nfs/dbraw/zinc/91/84/36/934918436.db2.gz NQJGQMNEGVESFZ-AWEZNQCLSA-N 1 2 288.347 1.963 20 30 CDEDLO CC#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001114711280 934932309 /nfs/dbraw/zinc/93/23/09/934932309.db2.gz RQOMKRZKFUWBMD-FOLVSLTJSA-N 1 2 287.363 1.415 20 30 CDEDLO CC#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001114711280 934932310 /nfs/dbraw/zinc/93/23/10/934932310.db2.gz RQOMKRZKFUWBMD-FOLVSLTJSA-N 1 2 287.363 1.415 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cncc(CC)c2)C1 ZINC001043349803 935836847 /nfs/dbraw/zinc/83/68/47/935836847.db2.gz NWLBIIGHJIEYFZ-UHFFFAOYSA-N 1 2 273.380 1.976 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H]2CC[C@@H](C)O2)C1 ZINC001043747731 935843208 /nfs/dbraw/zinc/84/32/08/935843208.db2.gz QWKHCFAJAVFUEN-OCCSQVGLSA-N 1 2 266.385 1.663 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2[nH]cnc2CC)C1 ZINC001046800914 935975876 /nfs/dbraw/zinc/97/58/76/935975876.db2.gz CFTACAHOYQCBAO-AWEZNQCLSA-N 1 2 296.802 1.919 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2[nH]cnc2CC)C1 ZINC001046800914 935975878 /nfs/dbraw/zinc/97/58/78/935975878.db2.gz CFTACAHOYQCBAO-AWEZNQCLSA-N 1 2 296.802 1.919 20 30 CDEDLO C=CCOCC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@H]1C ZINC001123012680 936103867 /nfs/dbraw/zinc/10/38/67/936103867.db2.gz NTOFRGWLXZGDIB-YPMHNXCESA-N 1 2 290.367 1.389 20 30 CDEDLO Cc1nc(N2CCC3(C[C@H]3NC(=O)[C@@H](C)C#N)CC2)cc[nH+]1 ZINC001096513931 936141257 /nfs/dbraw/zinc/14/12/57/936141257.db2.gz VTNPLHLGEVVNAX-WCQYABFASA-N 1 2 299.378 1.420 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]cnc1C)C2 ZINC001096676902 936204399 /nfs/dbraw/zinc/20/43/99/936204399.db2.gz ARYWVLTVVATRJS-WOPDTQHZSA-N 1 2 294.786 1.806 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]cnc1C)C2 ZINC001096676902 936204405 /nfs/dbraw/zinc/20/44/05/936204405.db2.gz ARYWVLTVVATRJS-WOPDTQHZSA-N 1 2 294.786 1.806 20 30 CDEDLO C=C[C@@](C)(O)C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001120769820 937833922 /nfs/dbraw/zinc/83/39/22/937833922.db2.gz OQXHTKBIKHWHRR-DZGCQCFKSA-N 1 2 278.327 1.236 20 30 CDEDLO N#CCc1cc[nH+]c(N2CCC(C(N)=S)CC2)c1 ZINC001156797527 938418997 /nfs/dbraw/zinc/41/89/97/938418997.db2.gz YVJDSFSKEKUUPN-UHFFFAOYSA-N 1 2 260.366 1.650 20 30 CDEDLO CCN(c1ncnc(Cl)c1C#N)C1C[NH+](C)C1 ZINC001157455222 938494669 /nfs/dbraw/zinc/49/46/69/938494669.db2.gz DFPXLQADOCHSKI-UHFFFAOYSA-N 1 2 251.721 1.142 20 30 CDEDLO C=CCC[NH2+]CCCNC(=O)C(F)C(F)(F)F ZINC001158470299 938628625 /nfs/dbraw/zinc/62/86/25/938628625.db2.gz ARVWPVLJYAIUNI-QMMMGPOBSA-N 1 2 256.243 1.559 20 30 CDEDLO C=CCC[NH2+]CCCNC(=O)[C@H](F)C(F)(F)F ZINC001158470299 938628627 /nfs/dbraw/zinc/62/86/27/938628627.db2.gz ARVWPVLJYAIUNI-QMMMGPOBSA-N 1 2 256.243 1.559 20 30 CDEDLO Cc1nc(N2CC([N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)ccc1C#N ZINC001158718246 938656549 /nfs/dbraw/zinc/65/65/49/938656549.db2.gz RKVHHPMPJBYAGQ-TXEJJXNPSA-N 1 2 286.379 1.560 20 30 CDEDLO Cc1nc(N2CC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)ccc1C#N ZINC001158718246 938656551 /nfs/dbraw/zinc/65/65/51/938656551.db2.gz RKVHHPMPJBYAGQ-TXEJJXNPSA-N 1 2 286.379 1.560 20 30 CDEDLO C#C[C@@](C)(CC)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC001158735889 938658438 /nfs/dbraw/zinc/65/84/38/938658438.db2.gz ASVWISFESXLTJR-AWEZNQCLSA-N 1 2 260.341 1.527 20 30 CDEDLO C#C[C@@](C)(CC)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC001158735889 938658439 /nfs/dbraw/zinc/65/84/39/938658439.db2.gz ASVWISFESXLTJR-AWEZNQCLSA-N 1 2 260.341 1.527 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1ncnc(Cl)c1C#N ZINC001162849600 939153166 /nfs/dbraw/zinc/15/31/66/939153166.db2.gz NTFGRQMNBRCRQE-QMMMGPOBSA-N 1 2 297.746 1.083 20 30 CDEDLO C=CC(C)(C)C(=O)NCCC[NH2+][C@@H](C)c1noc(C)n1 ZINC001163953095 939361477 /nfs/dbraw/zinc/36/14/77/939361477.db2.gz HOWOXDGJHZLYCE-JTQLQIEISA-N 1 2 280.372 1.747 20 30 CDEDLO N#Cc1cc2c(nc1N1CC[NH2+]CC(F)(F)C1)CCC2 ZINC001164497996 939479611 /nfs/dbraw/zinc/47/96/11/939479611.db2.gz NEDRXFPRUOLSOR-UHFFFAOYSA-N 1 2 278.306 1.487 20 30 CDEDLO COc1cc2ccnc(N3CC[NH2+]C[C@H]3C#N)c2cc1OC ZINC001164652829 939502309 /nfs/dbraw/zinc/50/23/09/939502309.db2.gz SSFMKDRTZNZDPK-GFCCVEGCSA-N 1 2 298.346 1.554 20 30 CDEDLO N#Cc1c[nH]c2nc(N3CC[NH+](CCF)CC3)ccc12 ZINC001165104329 939510795 /nfs/dbraw/zinc/51/07/95/939510795.db2.gz HTYIEDNRMFABGR-UHFFFAOYSA-N 1 2 273.315 1.526 20 30 CDEDLO N#CCNCC1(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001166138702 939595390 /nfs/dbraw/zinc/59/53/90/939595390.db2.gz QMBSQTGREFTSGY-UHFFFAOYSA-N 1 2 297.362 1.348 20 30 CDEDLO O=C1C=C2C[N@@H+](C[C@@H]3CCCOC3)CC[C@@H]2S1 ZINC001207465503 940202197 /nfs/dbraw/zinc/20/21/97/940202197.db2.gz XDDUXUVSWLHQFP-JQWIXIFHSA-N 1 2 253.367 1.687 20 30 CDEDLO O=C1C=C2C[N@H+](C[C@@H]3CCCOC3)CC[C@@H]2S1 ZINC001207465503 940202199 /nfs/dbraw/zinc/20/21/99/940202199.db2.gz XDDUXUVSWLHQFP-JQWIXIFHSA-N 1 2 253.367 1.687 20 30 CDEDLO C=CCCCCCC[N@@H+]1CCNC(=O)[C@H]1CC(=O)OCC ZINC001209435563 940590186 /nfs/dbraw/zinc/59/01/86/940590186.db2.gz FDJKJJFSDXGWSX-CQSZACIVSA-N 1 2 296.411 1.877 20 30 CDEDLO C=CCCCCCC[N@H+]1CCNC(=O)[C@H]1CC(=O)OCC ZINC001209435563 940590187 /nfs/dbraw/zinc/59/01/87/940590187.db2.gz FDJKJJFSDXGWSX-CQSZACIVSA-N 1 2 296.411 1.877 20 30 CDEDLO Cn1ncc(Nc2ccccc2C[NH+]2CCOCC2)c1C#N ZINC001209926516 940652442 /nfs/dbraw/zinc/65/24/42/940652442.db2.gz ACOJMTAIKCPWIW-UHFFFAOYSA-N 1 2 297.362 1.868 20 30 CDEDLO C=CCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csnn2)C1 ZINC001215429454 940886611 /nfs/dbraw/zinc/88/66/11/940886611.db2.gz DDOPVAHAWAVJRM-DGCLKSJQSA-N 1 2 294.424 1.831 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C(CC=C)CC=C)[C@H]2C1 ZINC001217966243 941032598 /nfs/dbraw/zinc/03/25/98/941032598.db2.gz KODSNAYRXLDTEQ-JKSUJKDBSA-N 1 2 288.391 1.300 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C(CC=C)CC=C)[C@H]2C1 ZINC001217966243 941032601 /nfs/dbraw/zinc/03/26/01/941032601.db2.gz KODSNAYRXLDTEQ-JKSUJKDBSA-N 1 2 288.391 1.300 20 30 CDEDLO C=C1CC[NH2+]C[C@H]1Oc1[nH]c(=O)nc2cc(F)ccc21 ZINC001218206719 941043867 /nfs/dbraw/zinc/04/38/67/941043867.db2.gz FEDMQBQMVWQQSF-GFCCVEGCSA-N 1 2 275.283 1.771 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](CC(=C)Cl)C[C@H]21 ZINC001221539155 941542527 /nfs/dbraw/zinc/54/25/27/941542527.db2.gz OPULGWALHMNVQB-BFHYXJOUSA-N 1 2 296.798 1.310 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC(=C)Cl)C[C@H]21 ZINC001221539155 941542529 /nfs/dbraw/zinc/54/25/29/941542529.db2.gz OPULGWALHMNVQB-BFHYXJOUSA-N 1 2 296.798 1.310 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001221718255 941546486 /nfs/dbraw/zinc/54/64/86/941546486.db2.gz IKVOKTJOKLRYQE-FMKPAKJESA-N 1 2 298.402 1.717 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001221718255 941546484 /nfs/dbraw/zinc/54/64/84/941546484.db2.gz IKVOKTJOKLRYQE-FMKPAKJESA-N 1 2 298.402 1.717 20 30 CDEDLO N#Cc1cccc(N2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)c1 ZINC001276953832 941728966 /nfs/dbraw/zinc/72/89/66/941728966.db2.gz QYJBNENAOFNYHX-UHFFFAOYSA-N 1 2 279.347 1.604 20 30 CDEDLO Cn1cnc(N2CC3(CC[N@@H+]3Cc3cc(C#N)n(C)c3)C2)c1 ZINC001277058882 941888714 /nfs/dbraw/zinc/88/87/14/941888714.db2.gz ABSZUBPCAFXJTO-UHFFFAOYSA-N 1 2 296.378 1.095 20 30 CDEDLO Cn1cnc(N2CC3(CC[N@H+]3Cc3cc(C#N)n(C)c3)C2)c1 ZINC001277058882 941888717 /nfs/dbraw/zinc/88/87/17/941888717.db2.gz ABSZUBPCAFXJTO-UHFFFAOYSA-N 1 2 296.378 1.095 20 30 CDEDLO CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(F)C(F)(F)F ZINC001226356391 941992967 /nfs/dbraw/zinc/99/29/67/941992967.db2.gz UQTRXWWUINSPNT-GMTAPVOTSA-N 1 2 294.292 1.927 20 30 CDEDLO CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](F)C(F)(F)F ZINC001226356391 941992971 /nfs/dbraw/zinc/99/29/71/941992971.db2.gz UQTRXWWUINSPNT-GMTAPVOTSA-N 1 2 294.292 1.927 20 30 CDEDLO C=CCCCC(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001228919516 942394641 /nfs/dbraw/zinc/39/46/41/942394641.db2.gz KFEKCQLPSWEGNH-UHFFFAOYSA-N 1 2 290.411 1.857 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001316600034 942410565 /nfs/dbraw/zinc/41/05/65/942410565.db2.gz GVHIHOUDVJRHLP-OAHLLOKOSA-N 1 2 292.423 1.771 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001316600034 942410566 /nfs/dbraw/zinc/41/05/66/942410566.db2.gz GVHIHOUDVJRHLP-OAHLLOKOSA-N 1 2 292.423 1.771 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccnn3-c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229374715 942460425 /nfs/dbraw/zinc/46/04/25/942460425.db2.gz QURWSJOQAXAOOP-RCKFOTBSSA-N 1 2 297.358 1.864 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccnn3-c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229374715 942460427 /nfs/dbraw/zinc/46/04/27/942460427.db2.gz QURWSJOQAXAOOP-RCKFOTBSSA-N 1 2 297.358 1.864 20 30 CDEDLO C#C[C@H](Oc1ccc(-n2cc[nH+]c2)cc1)C(=O)OCC ZINC001229953960 942557214 /nfs/dbraw/zinc/55/72/14/942557214.db2.gz GPSGKECTRZOMLB-AWEZNQCLSA-N 1 2 270.288 1.816 20 30 CDEDLO CCOCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230503527 942626155 /nfs/dbraw/zinc/62/61/55/942626155.db2.gz HQQQFVVRHYIOHX-AWEZNQCLSA-N 1 2 279.384 1.249 20 30 CDEDLO CCOCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001230503527 942626159 /nfs/dbraw/zinc/62/61/59/942626159.db2.gz HQQQFVVRHYIOHX-AWEZNQCLSA-N 1 2 279.384 1.249 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC ZINC001230562905 942643271 /nfs/dbraw/zinc/64/32/71/942643271.db2.gz VQCUDPQAMLASRN-AWEZNQCLSA-N 1 2 293.411 1.130 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC ZINC001230562905 942643276 /nfs/dbraw/zinc/64/32/76/942643276.db2.gz VQCUDPQAMLASRN-AWEZNQCLSA-N 1 2 293.411 1.130 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC(C)=O ZINC001230769693 942690244 /nfs/dbraw/zinc/69/02/44/942690244.db2.gz CBEUIBINBADDNN-AWEZNQCLSA-N 1 2 264.369 1.302 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)CCCC(C)=O ZINC001230769693 942690247 /nfs/dbraw/zinc/69/02/47/942690247.db2.gz CBEUIBINBADDNN-AWEZNQCLSA-N 1 2 264.369 1.302 20 30 CDEDLO N#Cc1ccnc(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1 ZINC001232479512 943293419 /nfs/dbraw/zinc/29/34/19/943293419.db2.gz RVBUVABOXBARTE-CQSZACIVSA-N 1 2 272.308 1.028 20 30 CDEDLO N#Cc1ccnc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1 ZINC001232479512 943293424 /nfs/dbraw/zinc/29/34/24/943293424.db2.gz RVBUVABOXBARTE-CQSZACIVSA-N 1 2 272.308 1.028 20 30 CDEDLO COC(=O)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232673557 943354978 /nfs/dbraw/zinc/35/49/78/943354978.db2.gz JAIGYRJFERNAQM-NSHDSACASA-N 1 2 260.293 1.259 20 30 CDEDLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232673557 943354984 /nfs/dbraw/zinc/35/49/84/943354984.db2.gz JAIGYRJFERNAQM-NSHDSACASA-N 1 2 260.293 1.259 20 30 CDEDLO N#Cc1ccc(O)c(C[NH+]2CCC(n3cnnc3)CC2)c1 ZINC001232678645 943360272 /nfs/dbraw/zinc/36/02/72/943360272.db2.gz LIUNXPZNFFGISG-UHFFFAOYSA-N 1 2 283.335 1.692 20 30 CDEDLO CC(=O)N(C)C1CC[NH+](Cc2[nH]ccc2C#N)CC1 ZINC001233048054 943476614 /nfs/dbraw/zinc/47/66/14/943476614.db2.gz UASAWWFGEGJWLP-UHFFFAOYSA-N 1 2 260.341 1.329 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cnoc1C ZINC001233948165 943698704 /nfs/dbraw/zinc/69/87/04/943698704.db2.gz RFMFYRVCADLKJN-HNNXBMFYSA-N 1 2 289.379 1.819 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cnoc1C ZINC001233948165 943698706 /nfs/dbraw/zinc/69/87/06/943698706.db2.gz RFMFYRVCADLKJN-HNNXBMFYSA-N 1 2 289.379 1.819 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Oc1cc(O)cc(C#N)c1 ZINC001234141856 943754116 /nfs/dbraw/zinc/75/41/16/943754116.db2.gz QVDMZSIZZGYHIG-NSHDSACASA-N 1 2 262.309 1.363 20 30 CDEDLO Cc1[nH]c(CNC(=O)c2ncc(C#N)cc2Cl)[nH+]c1C ZINC001362213016 971021685 /nfs/dbraw/zinc/02/16/85/971021685.db2.gz ASFVMRSHFNBOFJ-UHFFFAOYSA-N 1 2 289.726 1.877 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001234425655 943835324 /nfs/dbraw/zinc/83/53/24/943835324.db2.gz ORUKESMZTMZWFK-VHSXEESVSA-N 1 2 282.281 1.996 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001234425655 943835328 /nfs/dbraw/zinc/83/53/28/943835328.db2.gz ORUKESMZTMZWFK-VHSXEESVSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1cnn(CC)n1 ZINC001235436208 944155084 /nfs/dbraw/zinc/15/50/84/944155084.db2.gz HSXNINCUXKEMQQ-UHFFFAOYSA-N 1 2 279.388 1.202 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1cnn(CC)n1 ZINC001235436208 944155089 /nfs/dbraw/zinc/15/50/89/944155089.db2.gz HSXNINCUXKEMQQ-UHFFFAOYSA-N 1 2 279.388 1.202 20 30 CDEDLO N#Cc1cccc(S(=O)(=O)N2CC([NH+]3CCCC3)C2)c1 ZINC000700528015 944346305 /nfs/dbraw/zinc/34/63/05/944346305.db2.gz QPDCOSLNGICQLK-UHFFFAOYSA-N 1 2 291.376 1.027 20 30 CDEDLO C[C@H](CNC(=O)CNc1ccc(C#N)cn1)Cn1cc[nH+]c1 ZINC001362253521 971077994 /nfs/dbraw/zinc/07/79/94/971077994.db2.gz KRMJJCVGKSYKIC-GFCCVEGCSA-N 1 2 298.350 1.014 20 30 CDEDLO COC(=O)c1cc(C[NH+]2CC(CC#N)C2)cc(OC)c1 ZINC001236757388 944559488 /nfs/dbraw/zinc/55/94/88/944559488.db2.gz QGCFWVZIHOSVEX-UHFFFAOYSA-N 1 2 274.320 1.827 20 30 CDEDLO C=CCC[C@H](C)n1cnc(C[C@H]([NH3+])C(=O)OCC)c1 ZINC001258725166 945392704 /nfs/dbraw/zinc/39/27/04/945392704.db2.gz GTFXVZAADJFFIF-AAEUAGOBSA-N 1 2 265.357 1.843 20 30 CDEDLO C#CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001261746839 946261885 /nfs/dbraw/zinc/26/18/85/946261885.db2.gz VHMKECULKVCOQG-CHWSQXEVSA-N 1 2 257.337 1.395 20 30 CDEDLO COC(=O)[C@H]([NH3+])c1ccc(-c2cccnc2C#N)cc1 ZINC001242311648 946663944 /nfs/dbraw/zinc/66/39/44/946663944.db2.gz ARRPYZNXEIBXNF-CQSZACIVSA-N 1 2 267.288 1.793 20 30 CDEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(C(=O)c3cccnc3)CC2)C1 ZINC001254674456 947587558 /nfs/dbraw/zinc/58/75/58/947587558.db2.gz ZNEIAMXTUIZSPU-HIFRSBDPSA-N 1 2 284.363 1.532 20 30 CDEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCN(C3CCOCC3)C(=O)C2)C1 ZINC001254671460 947588498 /nfs/dbraw/zinc/58/84/98/947588498.db2.gz RWRJEXAPYMZVPB-TZMCWYRMSA-N 1 2 277.368 1.002 20 30 CDEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCN(C3CCOCC3)C(=O)C2)C1 ZINC001254671460 947588504 /nfs/dbraw/zinc/58/85/04/947588504.db2.gz RWRJEXAPYMZVPB-TZMCWYRMSA-N 1 2 277.368 1.002 20 30 CDEDLO COC(=O)[C@H]1C[C@@H]([NH2+]CCC#N)CN1C(=O)OC(C)(C)C ZINC001256249281 948256717 /nfs/dbraw/zinc/25/67/17/948256717.db2.gz YWNSBBVDCFGNOB-GHMZBOCLSA-N 1 2 297.355 1.041 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCc2ccon2)C1 ZINC001479906649 971481738 /nfs/dbraw/zinc/48/17/38/971481738.db2.gz ODASYDXFNNCZHS-CYBMUJFWSA-N 1 2 297.786 1.940 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCc2ccon2)C1 ZINC001479906649 971481741 /nfs/dbraw/zinc/48/17/41/971481741.db2.gz ODASYDXFNNCZHS-CYBMUJFWSA-N 1 2 297.786 1.940 20 30 CDEDLO Cc1cc(-c2noc([C@@H]([NH3+])[C@@H](C)O)n2)ccc1C#N ZINC001247617520 948682527 /nfs/dbraw/zinc/68/25/27/948682527.db2.gz QTRZERDWTBIKRD-KCJUWKMLSA-N 1 2 258.281 1.297 20 30 CDEDLO CO[C@H](C)[C@H]([NH3+])c1nc(-c2ccc(C#N)c(C)c2)no1 ZINC001247961960 948894303 /nfs/dbraw/zinc/89/43/03/948894303.db2.gz WWUXDWNHVRBKEL-SKDRFNHKSA-N 1 2 272.308 1.951 20 30 CDEDLO C[C@H]1C[NH+](Cc2cnn3ccc(C#N)cc23)C[C@H](C)O1 ZINC001249082595 949375680 /nfs/dbraw/zinc/37/56/80/949375680.db2.gz ZKNULSHAAGRYHJ-RYUDHWBXSA-N 1 2 270.336 1.815 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c1F ZINC001249671773 949744577 /nfs/dbraw/zinc/74/45/77/949744577.db2.gz DZYOBJRBGGHSNY-NEPJUHHUSA-N 1 2 252.264 1.602 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)c1F ZINC001249671773 949744585 /nfs/dbraw/zinc/74/45/85/949744585.db2.gz DZYOBJRBGGHSNY-NEPJUHHUSA-N 1 2 252.264 1.602 20 30 CDEDLO C[C@@]1(C#N)CC[N@H+](C[C@H](O)COc2cccc(F)c2)C1 ZINC001250809098 950388121 /nfs/dbraw/zinc/38/81/21/950388121.db2.gz DUCXKLCIKHGDHL-ZFWWWQNUSA-N 1 2 278.327 1.801 20 30 CDEDLO C[C@@]1(C#N)CC[N@@H+](C[C@H](O)COc2cccc(F)c2)C1 ZINC001250809098 950388139 /nfs/dbraw/zinc/38/81/39/950388139.db2.gz DUCXKLCIKHGDHL-ZFWWWQNUSA-N 1 2 278.327 1.801 20 30 CDEDLO N#Cc1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1F ZINC001362864898 971676923 /nfs/dbraw/zinc/67/69/23/971676923.db2.gz GCTRHUNZVOZJGI-LBPRGKRZSA-N 1 2 298.321 1.773 20 30 CDEDLO Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C#N)C1 ZINC001251696980 950763000 /nfs/dbraw/zinc/76/30/00/950763000.db2.gz OIHXJTIKVNJCOE-ZIAGYGMSSA-N 1 2 260.337 1.580 20 30 CDEDLO Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](C#N)C1 ZINC001251696980 950763009 /nfs/dbraw/zinc/76/30/09/950763009.db2.gz OIHXJTIKVNJCOE-ZIAGYGMSSA-N 1 2 260.337 1.580 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1Cc2nnn(C)c2[C@@H](COCC)C1 ZINC001252595431 951489546 /nfs/dbraw/zinc/48/95/46/951489546.db2.gz HPMINWWUWPZSSW-OLZOCXBDSA-N 1 2 294.399 1.078 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1Cc2nnn(C)c2[C@@H](COCC)C1 ZINC001252595431 951489553 /nfs/dbraw/zinc/48/95/53/951489553.db2.gz HPMINWWUWPZSSW-OLZOCXBDSA-N 1 2 294.399 1.078 20 30 CDEDLO C=C[C@H](O)CNc1ccc(OC)nc1-n1cc[nH+]c1CC ZINC001253572114 951958826 /nfs/dbraw/zinc/95/88/26/951958826.db2.gz LOBMIPIGJBQAJW-NSHDSACASA-N 1 2 288.351 1.797 20 30 CDEDLO N#Cc1ccc(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1F ZINC001363054458 971848934 /nfs/dbraw/zinc/84/89/34/971848934.db2.gz UAGDBHOLUPDQCQ-LBPRGKRZSA-N 1 2 298.321 1.773 20 30 CDEDLO CC[N@H+](CC(=O)NCCC#N)Cc1ccccc1F ZINC001324749342 953557461 /nfs/dbraw/zinc/55/74/61/953557461.db2.gz GVUDRPUBBZABRK-UHFFFAOYSA-N 1 2 263.316 1.677 20 30 CDEDLO CC[N@@H+](CC(=O)NCCC#N)Cc1ccccc1F ZINC001324749342 953557471 /nfs/dbraw/zinc/55/74/71/953557471.db2.gz GVUDRPUBBZABRK-UHFFFAOYSA-N 1 2 263.316 1.677 20 30 CDEDLO CCc1[nH]c(CNS(=O)(=O)CC(C)(C)CC#N)c[nH+]1 ZINC001364984310 955459595 /nfs/dbraw/zinc/45/95/95/955459595.db2.gz QNTHMHXSHOBGMY-UHFFFAOYSA-N 1 2 284.385 1.331 20 30 CDEDLO CCc1[nH]cc(CNS(=O)(=O)CC(C)(C)CC#N)[nH+]1 ZINC001364984310 955459600 /nfs/dbraw/zinc/45/96/00/955459600.db2.gz QNTHMHXSHOBGMY-UHFFFAOYSA-N 1 2 284.385 1.331 20 30 CDEDLO N#Cc1csc(C[NH2+]Cc2nc(C(N)=O)cs2)c1 ZINC001365469428 956060229 /nfs/dbraw/zinc/06/02/29/956060229.db2.gz FQAPPVUITZKRCA-UHFFFAOYSA-N 1 2 278.362 1.465 20 30 CDEDLO C=C[C@@H](COC)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001329917957 956177068 /nfs/dbraw/zinc/17/70/68/956177068.db2.gz IYIJCTGSOLNBSO-LBPRGKRZSA-N 1 2 259.309 1.574 20 30 CDEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)CC2CC2)CC1 ZINC001494088581 972173721 /nfs/dbraw/zinc/17/37/21/972173721.db2.gz ZKRTYLHZMQQUIK-UHFFFAOYSA-N 1 2 299.846 1.615 20 30 CDEDLO Cc1cccc2[nH+]c(CCNc3cc(C#N)cnn3)cn21 ZINC001307157506 956372272 /nfs/dbraw/zinc/37/22/72/956372272.db2.gz XECQTHLWJXCJSN-UHFFFAOYSA-N 1 2 278.319 1.959 20 30 CDEDLO C#C[C@H](CO)[NH2+]Cc1cnn(Cc2ccccc2)c1Cl ZINC001308883436 956592823 /nfs/dbraw/zinc/59/28/23/956592823.db2.gz SNBHUVCFPOCQBI-CQSZACIVSA-N 1 2 289.766 1.669 20 30 CDEDLO Cc1nc([C@@H](C)[NH2+]C[C@@H](O)CC(C)(C)C#N)no1 ZINC001331035097 956779121 /nfs/dbraw/zinc/77/91/21/956779121.db2.gz RICPABZTZOOGIO-SCZZXKLOSA-N 1 2 252.318 1.329 20 30 CDEDLO C[N@H+](CCNC(=O)C1CC1)Cc1ccc(C#N)cc1F ZINC001366507204 956884654 /nfs/dbraw/zinc/88/46/54/956884654.db2.gz QCMFVOZDVZUOCU-UHFFFAOYSA-N 1 2 275.327 1.655 20 30 CDEDLO C[N@@H+](CCNC(=O)C1CC1)Cc1ccc(C#N)cc1F ZINC001366507204 956884668 /nfs/dbraw/zinc/88/46/68/956884668.db2.gz QCMFVOZDVZUOCU-UHFFFAOYSA-N 1 2 275.327 1.655 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CC[C@H]1CCOC1 ZINC001366608717 957030019 /nfs/dbraw/zinc/03/00/19/957030019.db2.gz NOFWLVCTLLRYBO-ZDUSSCGKSA-N 1 2 288.819 1.994 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CC[C@H]1CCOC1 ZINC001366608717 957030042 /nfs/dbraw/zinc/03/00/42/957030042.db2.gz NOFWLVCTLLRYBO-ZDUSSCGKSA-N 1 2 288.819 1.994 20 30 CDEDLO Cc1cc(NC(=O)Cc2c[nH]c[nH+]2)nn1CCC#N ZINC001332407016 957550371 /nfs/dbraw/zinc/55/03/71/957550371.db2.gz BMQIAAIOTPDNJL-UHFFFAOYSA-N 1 2 258.285 1.010 20 30 CDEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1cn[nH]c1 ZINC001367500792 958066805 /nfs/dbraw/zinc/06/68/05/958066805.db2.gz BQHZZKMURALMOF-UHFFFAOYSA-N 1 2 297.362 1.485 20 30 CDEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1cn[nH]c1 ZINC001367500792 958066821 /nfs/dbraw/zinc/06/68/21/958066821.db2.gz BQHZZKMURALMOF-UHFFFAOYSA-N 1 2 297.362 1.485 20 30 CDEDLO C=CCn1cnn(C[N@H+]2CCC[C@H](COC)C2)c1=S ZINC001318462790 958116494 /nfs/dbraw/zinc/11/64/94/958116494.db2.gz VJTKWBYMNIGNRO-LBPRGKRZSA-N 1 2 282.413 1.916 20 30 CDEDLO C=CCn1cnn(C[N@@H+]2CCC[C@H](COC)C2)c1=S ZINC001318462790 958116501 /nfs/dbraw/zinc/11/65/01/958116501.db2.gz VJTKWBYMNIGNRO-LBPRGKRZSA-N 1 2 282.413 1.916 20 30 CDEDLO C=C(Cl)CN1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001419214846 961511787 /nfs/dbraw/zinc/51/17/87/961511787.db2.gz PBSDBAMHKLKBDR-CYBMUJFWSA-N 1 2 296.802 1.606 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1c(Cl)cnn1C ZINC001420216012 962588538 /nfs/dbraw/zinc/58/85/38/962588538.db2.gz FFJBQHCIAZUZEK-UHFFFAOYSA-N 1 2 291.182 1.488 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1c(Cl)cnn1C ZINC001420216012 962588553 /nfs/dbraw/zinc/58/85/53/962588553.db2.gz FFJBQHCIAZUZEK-UHFFFAOYSA-N 1 2 291.182 1.488 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1[nH]c(C)nc1C ZINC001439369172 963740532 /nfs/dbraw/zinc/74/05/32/963740532.db2.gz KCPMAPALYSOHKJ-VIFPVBQESA-N 1 2 284.791 1.829 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1[nH]c(C)nc1C ZINC001439369172 963740534 /nfs/dbraw/zinc/74/05/34/963740534.db2.gz KCPMAPALYSOHKJ-VIFPVBQESA-N 1 2 284.791 1.829 20 30 CDEDLO C=CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001346081902 964911372 /nfs/dbraw/zinc/91/13/72/964911372.db2.gz LHGLXPGRVNAIIS-UHFFFAOYSA-N 1 2 255.321 1.388 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)N[C@@H](C#N)C1CCCCC1 ZINC001346614438 965187271 /nfs/dbraw/zinc/18/72/71/965187271.db2.gz QUVQUJKUBQISMQ-ZDUSSCGKSA-N 1 2 274.368 1.941 20 30 CDEDLO C=C(C)CCC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001346822958 965269741 /nfs/dbraw/zinc/26/97/41/965269741.db2.gz KQIFAIKZZCGXNS-CYBMUJFWSA-N 1 2 253.390 1.095 20 30 CDEDLO C#Cc1cncc(C(=O)NCCN(C)c2cc[nH+]c(C)n2)c1 ZINC001100315325 967994730 /nfs/dbraw/zinc/99/47/30/967994730.db2.gz FKTLVVZZQHQXLH-UHFFFAOYSA-N 1 2 295.346 1.028 20 30 CDEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2CCC[N@@H+]2C)n1CCOC ZINC001355709285 969250484 /nfs/dbraw/zinc/25/04/84/969250484.db2.gz QXPPPUSYSPJKSL-CHWSQXEVSA-N 1 2 291.399 1.149 20 30 CDEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2CCC[N@H+]2C)n1CCOC ZINC001355709285 969250493 /nfs/dbraw/zinc/25/04/93/969250493.db2.gz QXPPPUSYSPJKSL-CHWSQXEVSA-N 1 2 291.399 1.149 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(F)c(C#N)c(F)c1 ZINC001465604486 969886531 /nfs/dbraw/zinc/88/65/31/969886531.db2.gz RVVFLRQCJVPFHZ-UHFFFAOYSA-N 1 2 276.246 1.798 20 30 CDEDLO N#Cc1sc(NC(=O)NCCn2cc[nH+]c2)nc1Cl ZINC001466804133 970001303 /nfs/dbraw/zinc/00/13/03/970001303.db2.gz CGUJUMUEPYDSRX-UHFFFAOYSA-N 1 2 296.743 1.686 20 30 CDEDLO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)Cc1c[nH+]cn1C ZINC001469796258 970271481 /nfs/dbraw/zinc/27/14/81/970271481.db2.gz VDXWMUNCEUSQQX-UHFFFAOYSA-N 1 2 294.318 1.658 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cn2c(n1)CCCC2 ZINC001371980367 972730905 /nfs/dbraw/zinc/73/09/05/972730905.db2.gz HUYHKAKVJRZTRI-UHFFFAOYSA-N 1 2 296.802 1.634 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cn2c(n1)CCCC2 ZINC001371980367 972730910 /nfs/dbraw/zinc/73/09/10/972730910.db2.gz HUYHKAKVJRZTRI-UHFFFAOYSA-N 1 2 296.802 1.634 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@]2(C)CCCOC2)C1 ZINC001373545592 973487682 /nfs/dbraw/zinc/48/76/82/973487682.db2.gz FZQVTSXUSGTMGG-CQSZACIVSA-N 1 2 286.803 1.604 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)COC(C)C ZINC001377387469 975001229 /nfs/dbraw/zinc/00/12/29/975001229.db2.gz TYKVBUTTZDLUAU-LBPRGKRZSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)COC(C)C ZINC001377387469 975001233 /nfs/dbraw/zinc/00/12/33/975001233.db2.gz TYKVBUTTZDLUAU-LBPRGKRZSA-N 1 2 274.792 1.745 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1cnns1 ZINC001377471937 975042203 /nfs/dbraw/zinc/04/22/03/975042203.db2.gz GOPWIWWLQSKLQG-JTQLQIEISA-N 1 2 281.385 1.026 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1cnns1 ZINC001377471937 975042207 /nfs/dbraw/zinc/04/22/07/975042207.db2.gz GOPWIWWLQSKLQG-JTQLQIEISA-N 1 2 281.385 1.026 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cc(C)nn1C ZINC001378009853 975204518 /nfs/dbraw/zinc/20/45/18/975204518.db2.gz QEXAQHYWLNRINT-LLVKDONJSA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cc(C)nn1C ZINC001378009853 975204523 /nfs/dbraw/zinc/20/45/23/975204523.db2.gz QEXAQHYWLNRINT-LLVKDONJSA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ncccc1O ZINC001406594845 976288393 /nfs/dbraw/zinc/28/83/93/976288393.db2.gz AXKQOQYWXFPYRZ-JTQLQIEISA-N 1 2 283.759 1.590 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ncccc1O ZINC001406594845 976288386 /nfs/dbraw/zinc/28/83/86/976288386.db2.gz AXKQOQYWXFPYRZ-JTQLQIEISA-N 1 2 283.759 1.590 20 30 CDEDLO Cc1nnc([C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)o1 ZINC001402639776 976417083 /nfs/dbraw/zinc/41/70/83/976417083.db2.gz RMIJROJQTBPIKC-WDEREUQCSA-N 1 2 293.371 1.379 20 30 CDEDLO Cc1nnc([C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)o1 ZINC001402639776 976417092 /nfs/dbraw/zinc/41/70/92/976417092.db2.gz RMIJROJQTBPIKC-WDEREUQCSA-N 1 2 293.371 1.379 20 30 CDEDLO CO[C@@H](C)C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001390741377 976474772 /nfs/dbraw/zinc/47/47/72/976474772.db2.gz QENHFNPCQFRRFK-LBPRGKRZSA-N 1 2 275.352 1.141 20 30 CDEDLO CO[C@@H](C)C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001390741377 976474780 /nfs/dbraw/zinc/47/47/80/976474780.db2.gz QENHFNPCQFRRFK-LBPRGKRZSA-N 1 2 275.352 1.141 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cnc(C)[nH]1 ZINC001403097046 976710968 /nfs/dbraw/zinc/71/09/68/976710968.db2.gz DQDJNMRXVBZNKG-SECBINFHSA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cnc(C)[nH]1 ZINC001403097046 976710986 /nfs/dbraw/zinc/71/09/86/976710986.db2.gz DQDJNMRXVBZNKG-SECBINFHSA-N 1 2 270.764 1.521 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@H](C)C#N)[C@H](C)c1nnc(C)[nH]1 ZINC001399935377 976755997 /nfs/dbraw/zinc/75/59/97/976755997.db2.gz AJBGTQPKHMDVHH-GHMZBOCLSA-N 1 2 292.387 1.162 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@H](C)C#N)[C@H](C)c1nnc(C)[nH]1 ZINC001399935377 976756006 /nfs/dbraw/zinc/75/60/06/976756006.db2.gz AJBGTQPKHMDVHH-GHMZBOCLSA-N 1 2 292.387 1.162 20 30 CDEDLO Cc1cc(C[N@@H+](CCNC(=O)[C@@H](C)C#N)C2CC2)on1 ZINC001399993863 976798270 /nfs/dbraw/zinc/79/82/70/976798270.db2.gz CSSUIQLJTALBOJ-JTQLQIEISA-N 1 2 276.340 1.223 20 30 CDEDLO Cc1cc(C[N@H+](CCNC(=O)[C@@H](C)C#N)C2CC2)on1 ZINC001399993863 976798279 /nfs/dbraw/zinc/79/82/79/976798279.db2.gz CSSUIQLJTALBOJ-JTQLQIEISA-N 1 2 276.340 1.223 20 30 CDEDLO CC1(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)CC1 ZINC001391479141 976912117 /nfs/dbraw/zinc/91/21/17/976912117.db2.gz GZMCSNISZMLYHH-UHFFFAOYSA-N 1 2 283.375 1.906 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1ccn(C)n1 ZINC001394061089 978042239 /nfs/dbraw/zinc/04/22/39/978042239.db2.gz ULPDQPTXWDAPDE-LLVKDONJSA-N 1 2 284.791 1.152 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1ccn(C)n1 ZINC001394061089 978042244 /nfs/dbraw/zinc/04/22/44/978042244.db2.gz ULPDQPTXWDAPDE-LLVKDONJSA-N 1 2 284.791 1.152 20 30 CDEDLO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(N)=O)C2)CCC1 ZINC001132283358 1163222394 /nfs/dbraw/zinc/22/23/94/1163222394.db2.gz WNEGEWISORZETF-QWHCGFSZSA-N 1 2 293.411 1.187 20 30 CDEDLO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(N)=O)C2)CCC1 ZINC001132283358 1163222402 /nfs/dbraw/zinc/22/24/02/1163222402.db2.gz WNEGEWISORZETF-QWHCGFSZSA-N 1 2 293.411 1.187 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001132302023 1163228478 /nfs/dbraw/zinc/22/84/78/1163228478.db2.gz LNOOFXBRNHIUTF-UHFFFAOYSA-N 1 2 265.357 1.791 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001132569170 1163375975 /nfs/dbraw/zinc/37/59/75/1163375975.db2.gz MCTFJRUNMMZEBG-WCQYABFASA-N 1 2 276.384 1.449 20 30 CDEDLO CC#CCCCC(=O)NCC[NH2+]Cc1ncc(CC)o1 ZINC001132591863 1163393152 /nfs/dbraw/zinc/39/31/52/1163393152.db2.gz YKWQQCXKMBZUFW-UHFFFAOYSA-N 1 2 277.368 1.636 20 30 CDEDLO C[C@@]1(C#N)CCC[N@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC000585753980 342454699 /nfs/dbraw/zinc/45/46/99/342454699.db2.gz XVVBHZUMLFSPPT-OLZOCXBDSA-N 1 2 270.398 1.437 20 30 CDEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC000585753980 342454700 /nfs/dbraw/zinc/45/47/00/342454700.db2.gz XVVBHZUMLFSPPT-OLZOCXBDSA-N 1 2 270.398 1.437 20 30 CDEDLO C[C@@]1(C#N)CCC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000585753982 342454944 /nfs/dbraw/zinc/45/49/44/342454944.db2.gz XVVBHZUMLFSPPT-STQMWFEESA-N 1 2 270.398 1.437 20 30 CDEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000585753982 342454945 /nfs/dbraw/zinc/45/49/45/342454945.db2.gz XVVBHZUMLFSPPT-STQMWFEESA-N 1 2 270.398 1.437 20 30 CDEDLO N#Cc1ccnc(N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000587866723 342487050 /nfs/dbraw/zinc/48/70/50/342487050.db2.gz RGPBMCBVGZROGX-CYBMUJFWSA-N 1 2 253.309 1.991 20 30 CDEDLO CCOC(=O)c1cccc(C[NH+]2CC(CC#N)C2)n1 ZINC000600180158 341983558 /nfs/dbraw/zinc/98/35/58/341983558.db2.gz GZIOOGBYOCRNNQ-UHFFFAOYSA-N 1 2 259.309 1.604 20 30 CDEDLO CCc1nc(C#N)cc(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000308164902 342508890 /nfs/dbraw/zinc/50/88/90/342508890.db2.gz FZCAXJDKBZZTEA-JTQLQIEISA-N 1 2 256.313 1.608 20 30 CDEDLO Cc1cc(NCCN(C)CC(F)F)c(C#N)c[nH+]1 ZINC000599201940 343980327 /nfs/dbraw/zinc/98/03/27/343980327.db2.gz HSWYODRDQBRACA-UHFFFAOYSA-N 1 2 254.284 1.292 20 30 CDEDLO N#CC1(NC(=O)CN2CCc3[nH+]c[nH]c3C2)CCCCC1 ZINC000590602368 342577558 /nfs/dbraw/zinc/57/75/58/342577558.db2.gz WYTSCWAZJMLGES-UHFFFAOYSA-N 1 2 287.367 1.110 20 30 CDEDLO COc1cccc2c1C[N@H+](CC(=O)NC1(C#N)CCC1)CC2 ZINC000590760062 342591202 /nfs/dbraw/zinc/59/12/02/342591202.db2.gz PUQYBGWOIUIWDP-UHFFFAOYSA-N 1 2 299.374 1.616 20 30 CDEDLO COc1cccc2c1C[N@@H+](CC(=O)NC1(C#N)CCC1)CC2 ZINC000590760062 342591203 /nfs/dbraw/zinc/59/12/03/342591203.db2.gz PUQYBGWOIUIWDP-UHFFFAOYSA-N 1 2 299.374 1.616 20 30 CDEDLO C[C@@H](NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000140810104 342071606 /nfs/dbraw/zinc/07/16/06/342071606.db2.gz YMZFNIGKAGVTRT-GHMZBOCLSA-N 1 2 284.319 1.926 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)nc1 ZINC000565281602 365619603 /nfs/dbraw/zinc/61/96/03/365619603.db2.gz CFIPWBWJBMEKOK-CQSZACIVSA-N 1 2 270.336 1.196 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)nc1 ZINC000565281602 365619608 /nfs/dbraw/zinc/61/96/08/365619608.db2.gz CFIPWBWJBMEKOK-CQSZACIVSA-N 1 2 270.336 1.196 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000591053703 342616153 /nfs/dbraw/zinc/61/61/53/342616153.db2.gz AKOBLXJIZOIRQA-STQMWFEESA-N 1 2 280.368 1.191 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000591053703 342616154 /nfs/dbraw/zinc/61/61/54/342616154.db2.gz AKOBLXJIZOIRQA-STQMWFEESA-N 1 2 280.368 1.191 20 30 CDEDLO N#Cc1csc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000091928451 342135607 /nfs/dbraw/zinc/13/56/07/342135607.db2.gz QVFNGLQMYJUXQI-UONOGXRCSA-N 1 2 278.377 2.000 20 30 CDEDLO N#Cc1csc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000091928451 342135608 /nfs/dbraw/zinc/13/56/08/342135608.db2.gz QVFNGLQMYJUXQI-UONOGXRCSA-N 1 2 278.377 2.000 20 30 CDEDLO Cc1cc(N[C@H]2CCO[C@H](c3nccn3C)C2)c(C#N)c[nH+]1 ZINC000591825396 342647866 /nfs/dbraw/zinc/64/78/66/342647866.db2.gz HWYOSPOZLVKGCT-ZFWWWQNUSA-N 1 2 297.362 1.749 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000592151400 342669120 /nfs/dbraw/zinc/66/91/20/342669120.db2.gz OISLPJUWASPSLB-ZDUSSCGKSA-N 1 2 252.264 1.815 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000592151400 342669121 /nfs/dbraw/zinc/66/91/21/342669121.db2.gz OISLPJUWASPSLB-ZDUSSCGKSA-N 1 2 252.264 1.815 20 30 CDEDLO C=C(C)CN1CCc2[nH+]c[nH]c2[C@H]1c1ccnn1C ZINC000625499848 342174745 /nfs/dbraw/zinc/17/47/45/342174745.db2.gz JQIKTOBVHDDMKV-CQSZACIVSA-N 1 2 257.341 1.667 20 30 CDEDLO C=Cc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000593153308 342773941 /nfs/dbraw/zinc/77/39/41/342773941.db2.gz VGDZQSONKDHDMV-OAHLLOKOSA-N 1 2 257.337 1.903 20 30 CDEDLO C[C@H](CC(=O)N1CCC[C@@](C)(C#N)C1)n1cc[nH+]c1 ZINC000593599900 342817665 /nfs/dbraw/zinc/81/76/65/342817665.db2.gz YRKKFGQYIYZVFM-OCCSQVGLSA-N 1 2 260.341 1.986 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000330271792 539040841 /nfs/dbraw/zinc/04/08/41/539040841.db2.gz WNQRXQNJYVSYGK-BFHYXJOUSA-N 1 2 282.384 1.645 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(CCc3cn[nH]c3)CC2)cc1 ZINC000290092208 362001734 /nfs/dbraw/zinc/00/17/34/362001734.db2.gz RISKYOSKNNUYCY-UHFFFAOYSA-N 1 2 295.390 1.642 20 30 CDEDLO C=CC1CC[NH+](Cc2nc3c(cnn3C)c(=O)[nH]2)CC1 ZINC000600683030 342242381 /nfs/dbraw/zinc/24/23/81/342242381.db2.gz GRCKWWFCJFCLRC-UHFFFAOYSA-N 1 2 273.340 1.467 20 30 CDEDLO C=CCC1(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCOCC1 ZINC000618251640 342268299 /nfs/dbraw/zinc/26/82/99/342268299.db2.gz NUFKSDMPDFCTKN-GFCCVEGCSA-N 1 2 277.368 1.830 20 30 CDEDLO C=CCC1(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCOCC1 ZINC000618251640 342268300 /nfs/dbraw/zinc/26/83/00/342268300.db2.gz NUFKSDMPDFCTKN-GFCCVEGCSA-N 1 2 277.368 1.830 20 30 CDEDLO N#Cc1ccc(-n2cc(C[NH+]3CCSCC3)nn2)cc1 ZINC000594652118 342933432 /nfs/dbraw/zinc/93/34/32/342933432.db2.gz OJPDBNWPPVJKSH-UHFFFAOYSA-N 1 2 285.376 1.688 20 30 CDEDLO Cc1cn2ccc(NC(=O)C(=O)NCC(C)(C)C#N)cc2[nH+]1 ZINC000594997897 342994829 /nfs/dbraw/zinc/99/48/29/342994829.db2.gz QXBABSIJPJLWCV-UHFFFAOYSA-N 1 2 299.334 1.247 20 30 CDEDLO Cc1ccc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)C2)cc1C#N ZINC000599359508 344024867 /nfs/dbraw/zinc/02/48/67/344024867.db2.gz CCXJQHBCTITBQR-HNNXBMFYSA-N 1 2 292.404 1.876 20 30 CDEDLO Cc1ccc(C[N@H+]2CCC[C@H](S(C)(=O)=O)C2)cc1C#N ZINC000599359508 344024868 /nfs/dbraw/zinc/02/48/68/344024868.db2.gz CCXJQHBCTITBQR-HNNXBMFYSA-N 1 2 292.404 1.876 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000595398849 343048285 /nfs/dbraw/zinc/04/82/85/343048285.db2.gz ADLVFQKLNSUFOF-FZMZJTMJSA-N 1 2 277.372 1.284 20 30 CDEDLO COc1cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)sn1 ZINC000595562781 343099103 /nfs/dbraw/zinc/09/91/03/343099103.db2.gz LWTYUFDJFTWMBJ-NSHDSACASA-N 1 2 253.327 1.002 20 30 CDEDLO COc1cc(C[N@H+]2CC[C@@](O)(CC#N)C2)sn1 ZINC000595562781 343099104 /nfs/dbraw/zinc/09/91/04/343099104.db2.gz LWTYUFDJFTWMBJ-NSHDSACASA-N 1 2 253.327 1.002 20 30 CDEDLO C=CCN(C)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000526104586 362110445 /nfs/dbraw/zinc/11/04/45/362110445.db2.gz WZMVXZUBZWYVLW-UHFFFAOYSA-N 1 2 286.335 1.465 20 30 CDEDLO COc1c(C)c[nH+]c(CN(C)c2c(C#N)cnn2C)c1C ZINC000596118102 343232237 /nfs/dbraw/zinc/23/22/37/343232237.db2.gz PFJASAACQYIKBN-UHFFFAOYSA-N 1 2 285.351 1.949 20 30 CDEDLO CN(Cc1c[nH+]c[nH]1)c1ncc2c(c1C#N)CCC2 ZINC000596310867 343299860 /nfs/dbraw/zinc/29/98/60/343299860.db2.gz AICJHSTXAZCXFH-UHFFFAOYSA-N 1 2 253.309 1.801 20 30 CDEDLO CN(Cc1c[nH]c[nH+]1)c1ncc2c(c1C#N)CCC2 ZINC000596310867 343299862 /nfs/dbraw/zinc/29/98/62/343299862.db2.gz AICJHSTXAZCXFH-UHFFFAOYSA-N 1 2 253.309 1.801 20 30 CDEDLO N#CC[C@H]1CCCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000596326575 343303674 /nfs/dbraw/zinc/30/36/74/343303674.db2.gz WHGAVGFXSXTJFL-SNVBAGLBSA-N 1 2 259.313 1.411 20 30 CDEDLO N#CC[C@H]1CCCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000596326575 343303675 /nfs/dbraw/zinc/30/36/75/343303675.db2.gz WHGAVGFXSXTJFL-SNVBAGLBSA-N 1 2 259.313 1.411 20 30 CDEDLO Cc1cc(C#N)nc(NCc2ccc[nH+]c2N2CCCC2)n1 ZINC000596355339 343309840 /nfs/dbraw/zinc/30/98/40/343309840.db2.gz BUDSDKVLUSXPNE-UHFFFAOYSA-N 1 2 294.362 1.686 20 30 CDEDLO CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)c1cccc(C#N)c1 ZINC000596931249 343417884 /nfs/dbraw/zinc/41/78/84/343417884.db2.gz OHTPNWYVIXPNCG-ZDUSSCGKSA-N 1 2 280.331 1.980 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CC1(C#N)CCCCC1 ZINC000597160827 343464056 /nfs/dbraw/zinc/46/40/56/343464056.db2.gz MQPZVHPLRVXWQJ-AWEZNQCLSA-N 1 2 293.411 1.687 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)CC1(C#N)CCCCC1 ZINC000597160827 343464057 /nfs/dbraw/zinc/46/40/57/343464057.db2.gz MQPZVHPLRVXWQJ-AWEZNQCLSA-N 1 2 293.411 1.687 20 30 CDEDLO C=C[C@H](Sc1[nH+]cnc2c1cnn2C)C(=O)OC ZINC000619689022 349851575 /nfs/dbraw/zinc/85/15/75/349851575.db2.gz UYNLLBQWIQEUGJ-QMMMGPOBSA-N 1 2 264.310 1.183 20 30 CDEDLO C=CCSCCNC(=O)NCc1c[nH+]cn1C ZINC000290880178 343809024 /nfs/dbraw/zinc/80/90/24/343809024.db2.gz SFMBFNMAJYGNNP-UHFFFAOYSA-N 1 2 254.359 1.139 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[NH+]1CCN(CC2CC2)CC1 ZINC000598586407 343835138 /nfs/dbraw/zinc/83/51/38/343835138.db2.gz TYJKUTYIJZDRJX-AWEZNQCLSA-N 1 2 265.401 1.315 20 30 CDEDLO CCOCCOC1C[NH+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598700505 343889129 /nfs/dbraw/zinc/88/91/29/343889129.db2.gz CICHBFFMKHMPKC-GFCCVEGCSA-N 1 2 270.373 1.024 20 30 CDEDLO COCC#CC[N@H+](CCNC(C)=O)Cc1ccsc1 ZINC000669936189 482522988 /nfs/dbraw/zinc/52/29/88/482522988.db2.gz YBOVOULQYIXBDE-UHFFFAOYSA-N 1 2 280.393 1.336 20 30 CDEDLO COCC#CC[N@@H+](CCNC(C)=O)Cc1ccsc1 ZINC000669936189 482522993 /nfs/dbraw/zinc/52/29/93/482522993.db2.gz YBOVOULQYIXBDE-UHFFFAOYSA-N 1 2 280.393 1.336 20 30 CDEDLO COC1CC[NH+](Cc2cn(-c3cccc(C#N)c3)nn2)CC1 ZINC000600970746 349897114 /nfs/dbraw/zinc/89/71/14/349897114.db2.gz NPMVTYDCJXIOLC-UHFFFAOYSA-N 1 2 297.362 1.750 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599655753 344105048 /nfs/dbraw/zinc/10/50/48/344105048.db2.gz OQLWUROTUDAVJC-CFVMTHIKSA-N 1 2 288.347 1.475 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599655753 344105051 /nfs/dbraw/zinc/10/50/51/344105051.db2.gz OQLWUROTUDAVJC-CFVMTHIKSA-N 1 2 288.347 1.475 20 30 CDEDLO C[C@@H](C#N)CN(C)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000602079148 344327309 /nfs/dbraw/zinc/32/73/09/344327309.db2.gz LTXMHIWVRHSSRU-NSHDSACASA-N 1 2 284.319 1.810 20 30 CDEDLO CC[N@H+](CCC#N)Cc1ccc(S(N)(=O)=O)cc1 ZINC000602438379 344417315 /nfs/dbraw/zinc/41/73/15/344417315.db2.gz PQAUKGNMXCLXTB-UHFFFAOYSA-N 1 2 267.354 1.070 20 30 CDEDLO CC[N@@H+](CCC#N)Cc1ccc(S(N)(=O)=O)cc1 ZINC000602438379 344417317 /nfs/dbraw/zinc/41/73/17/344417317.db2.gz PQAUKGNMXCLXTB-UHFFFAOYSA-N 1 2 267.354 1.070 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCCCOC1CCCCC1 ZINC000602859821 344616193 /nfs/dbraw/zinc/61/61/93/344616193.db2.gz AWRPAKCKRBWUEY-ZDUSSCGKSA-N 1 2 281.400 1.734 20 30 CDEDLO CC(C)CNC(=O)[C@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612159705 347063766 /nfs/dbraw/zinc/06/37/66/347063766.db2.gz YIRPWRUXCWCFAH-GXTWGEPZSA-N 1 2 251.374 1.773 20 30 CDEDLO CC(C)CNC(=O)[C@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612159705 347063771 /nfs/dbraw/zinc/06/37/71/347063771.db2.gz YIRPWRUXCWCFAH-GXTWGEPZSA-N 1 2 251.374 1.773 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000602870474 344641233 /nfs/dbraw/zinc/64/12/33/344641233.db2.gz UJFILRSPLMGEPV-LLVKDONJSA-N 1 2 288.351 1.219 20 30 CDEDLO CCN(CC)C(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609484935 344915269 /nfs/dbraw/zinc/91/52/69/344915269.db2.gz RCOGRAOERRWAAC-GJZGRUSLSA-N 1 2 294.443 1.409 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)C[C@@H](C)O1 ZINC000249265404 362570569 /nfs/dbraw/zinc/57/05/69/362570569.db2.gz IQUXYGBPHJODOW-LALPHHSUSA-N 1 2 288.347 1.882 20 30 CDEDLO COC(=O)[C@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)C[C@@H](C)O1 ZINC000249265404 362570573 /nfs/dbraw/zinc/57/05/73/362570573.db2.gz IQUXYGBPHJODOW-LALPHHSUSA-N 1 2 288.347 1.882 20 30 CDEDLO C[C@H]1COC[C@H](C)[NH+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000265894745 362623920 /nfs/dbraw/zinc/62/39/20/362623920.db2.gz SIUVIBJFAVVOPM-STQMWFEESA-N 1 2 287.363 1.284 20 30 CDEDLO C[C@@H](NC(=O)NCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000610335233 346254485 /nfs/dbraw/zinc/25/44/85/346254485.db2.gz BLYAMGDFBRTSSM-GFCCVEGCSA-N 1 2 283.335 1.815 20 30 CDEDLO CCC[C@H]([NH2+]C1CCN(CC#N)CC1)C(=O)OCC ZINC000610341930 346256781 /nfs/dbraw/zinc/25/67/81/346256781.db2.gz KGACZGKIQXAZSK-ZDUSSCGKSA-N 1 2 267.373 1.296 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000584663089 346385163 /nfs/dbraw/zinc/38/51/63/346385163.db2.gz SWPSXZAKIAMJSB-GFCCVEGCSA-N 1 2 262.357 1.611 20 30 CDEDLO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(CCC#N)CC1 ZINC000611174356 346628112 /nfs/dbraw/zinc/62/81/12/346628112.db2.gz CPCRBQXMBOEOOG-HNNXBMFYSA-N 1 2 292.427 1.165 20 30 CDEDLO COCC1([N@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000611178790 346629975 /nfs/dbraw/zinc/62/99/75/346629975.db2.gz OCWPUOKKMQQTQD-UHFFFAOYSA-N 1 2 291.351 1.817 20 30 CDEDLO COCC1([N@@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000611178790 346629977 /nfs/dbraw/zinc/62/99/77/346629977.db2.gz OCWPUOKKMQQTQD-UHFFFAOYSA-N 1 2 291.351 1.817 20 30 CDEDLO COc1cc(C#N)ccc1C[NH+]1CCN(CCC#N)CC1 ZINC000611236057 346703952 /nfs/dbraw/zinc/70/39/52/346703952.db2.gz UFJCTCKOYVNJLP-UHFFFAOYSA-N 1 2 284.363 1.598 20 30 CDEDLO C=CC[N@@H+](CCCC(=O)CC)[C@H]1CCS(=O)(=O)C1 ZINC000450552585 362833810 /nfs/dbraw/zinc/83/38/10/362833810.db2.gz HQLUJXHKYMAHPD-LBPRGKRZSA-N 1 2 273.398 1.421 20 30 CDEDLO C=CC[N@H+](CCCC(=O)CC)[C@H]1CCS(=O)(=O)C1 ZINC000450552585 362833814 /nfs/dbraw/zinc/83/38/14/362833814.db2.gz HQLUJXHKYMAHPD-LBPRGKRZSA-N 1 2 273.398 1.421 20 30 CDEDLO C#C[C@H](CC)NC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000491475393 347583115 /nfs/dbraw/zinc/58/31/15/347583115.db2.gz WIMBOFXUYARGCI-GFCCVEGCSA-N 1 2 270.336 1.854 20 30 CDEDLO C=C[C@@](C)(O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000613423012 347722961 /nfs/dbraw/zinc/72/29/61/347722961.db2.gz GOKYHICPDZGFEP-MRXNPFEDSA-N 1 2 291.395 1.839 20 30 CDEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Cc1noc(C)c1C#N ZINC000601603471 349978579 /nfs/dbraw/zinc/97/85/79/349978579.db2.gz BTRNHZYEJIULQQ-VIFPVBQESA-N 1 2 287.323 1.491 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cc(F)cc([N+](=O)[O-])c1 ZINC000414153460 362925139 /nfs/dbraw/zinc/92/51/39/362925139.db2.gz SAGZONHRDXWOEZ-GFCCVEGCSA-N 1 2 297.286 1.319 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cc(F)cc([N+](=O)[O-])c1 ZINC000414153460 362925146 /nfs/dbraw/zinc/92/51/46/362925146.db2.gz SAGZONHRDXWOEZ-GFCCVEGCSA-N 1 2 297.286 1.319 20 30 CDEDLO Cc1ccc(C#N)cc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414118868 362926039 /nfs/dbraw/zinc/92/60/39/362926039.db2.gz AADTUSNJBHTYIB-AWEZNQCLSA-N 1 2 273.336 1.452 20 30 CDEDLO Cc1ccc(C#N)cc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414118868 362926042 /nfs/dbraw/zinc/92/60/42/362926042.db2.gz AADTUSNJBHTYIB-AWEZNQCLSA-N 1 2 273.336 1.452 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000026464925 348660275 /nfs/dbraw/zinc/66/02/75/348660275.db2.gz CTYUCETXCAIUQD-CYBMUJFWSA-N 1 2 289.379 1.205 20 30 CDEDLO C=CC[N@@H+](CC(=O)N(C)C)Cc1cccc(C#N)c1 ZINC000063300616 348922294 /nfs/dbraw/zinc/92/22/94/348922294.db2.gz YQHYZAINTFZYOO-UHFFFAOYSA-N 1 2 257.337 1.634 20 30 CDEDLO C=CC[N@H+](CC(=O)N(C)C)Cc1cccc(C#N)c1 ZINC000063300616 348922298 /nfs/dbraw/zinc/92/22/98/348922298.db2.gz YQHYZAINTFZYOO-UHFFFAOYSA-N 1 2 257.337 1.634 20 30 CDEDLO C=CCNC(=O)C[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000070695024 349114022 /nfs/dbraw/zinc/11/40/22/349114022.db2.gz LRELMIDQYNZKCD-DZGCQCFKSA-N 1 2 274.364 1.751 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000070695024 349114025 /nfs/dbraw/zinc/11/40/25/349114025.db2.gz LRELMIDQYNZKCD-DZGCQCFKSA-N 1 2 274.364 1.751 20 30 CDEDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602439218 350109548 /nfs/dbraw/zinc/10/95/48/350109548.db2.gz JGNLCWNUKLTHJM-CYBMUJFWSA-N 1 2 258.325 1.054 20 30 CDEDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602439218 350109550 /nfs/dbraw/zinc/10/95/50/350109550.db2.gz JGNLCWNUKLTHJM-CYBMUJFWSA-N 1 2 258.325 1.054 20 30 CDEDLO N#Cc1cccc(C[NH+]2CCN(c3ccc(F)cn3)CC2)n1 ZINC000602661558 350139565 /nfs/dbraw/zinc/13/95/65/350139565.db2.gz FGFCQVZFBMUTPN-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO CS(=O)(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000123497285 351266720 /nfs/dbraw/zinc/26/67/20/351266720.db2.gz CNPOWRCJZWGUCR-UHFFFAOYSA-N 1 2 299.421 1.133 20 30 CDEDLO N#Cc1cnc(NCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000236406482 363152601 /nfs/dbraw/zinc/15/26/01/363152601.db2.gz PZQHFVGKTXHQTO-UHFFFAOYSA-N 1 2 272.268 1.560 20 30 CDEDLO CCOC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292212421 198204401 /nfs/dbraw/zinc/20/44/01/198204401.db2.gz OLHYAYIHUJFORM-YPMHNXCESA-N 1 2 289.335 1.358 20 30 CDEDLO CCOC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292212421 198204404 /nfs/dbraw/zinc/20/44/04/198204404.db2.gz OLHYAYIHUJFORM-YPMHNXCESA-N 1 2 289.335 1.358 20 30 CDEDLO C[C@H](CNC(=O)c1cccc(C#N)c1)Cn1cc[nH+]c1 ZINC000153404807 188081089 /nfs/dbraw/zinc/08/10/89/188081089.db2.gz QMYIYTAUHSLLBY-GFCCVEGCSA-N 1 2 268.320 1.821 20 30 CDEDLO C[C@@H](CNC(=O)c1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000153761409 188101684 /nfs/dbraw/zinc/10/16/84/188101684.db2.gz FBVOMKSPCRAXSH-LBPRGKRZSA-N 1 2 268.320 1.821 20 30 CDEDLO CC#CC[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000157416732 188315778 /nfs/dbraw/zinc/31/57/78/188315778.db2.gz WSAMKWOGOSHNBU-UHFFFAOYSA-N 1 2 289.354 1.405 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000295192378 199398493 /nfs/dbraw/zinc/39/84/93/199398493.db2.gz DGVNXMNRNUSZGB-NSHDSACASA-N 1 2 283.397 1.709 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(C3CC3)o2)C1=O ZINC000628259195 363278672 /nfs/dbraw/zinc/27/86/72/363278672.db2.gz LBYRZSOTQHIQNE-ZDUSSCGKSA-N 1 2 275.352 1.771 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(C3CC3)o2)C1=O ZINC000628259195 363278677 /nfs/dbraw/zinc/27/86/77/363278677.db2.gz LBYRZSOTQHIQNE-ZDUSSCGKSA-N 1 2 275.352 1.771 20 30 CDEDLO N#CCc1ccnc(NC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492855594 366184041 /nfs/dbraw/zinc/18/40/41/366184041.db2.gz AHLXYHWPLOZDKA-UPHRSURJSA-N 1 2 253.265 1.523 20 30 CDEDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@H](C#N)C(C)(C)C ZINC000493130765 366194250 /nfs/dbraw/zinc/19/42/50/366194250.db2.gz XBZQVHVPENIRFS-MLRMMBSGSA-N 1 2 260.341 1.971 20 30 CDEDLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cccc(C#N)c1F ZINC000342637355 356096525 /nfs/dbraw/zinc/09/65/25/356096525.db2.gz SIWALSRJFOOKQX-XTZNXHDOSA-N 1 2 268.357 1.896 20 30 CDEDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000342637355 356096526 /nfs/dbraw/zinc/09/65/26/356096526.db2.gz SIWALSRJFOOKQX-XTZNXHDOSA-N 1 2 268.357 1.896 20 30 CDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCOCC2)cc1 ZINC000059951047 356377626 /nfs/dbraw/zinc/37/76/26/356377626.db2.gz UDGCYJJWTZKZDR-UHFFFAOYSA-N 1 2 259.309 1.219 20 30 CDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCOCC2)cc1 ZINC000059951047 356377627 /nfs/dbraw/zinc/37/76/27/356377627.db2.gz UDGCYJJWTZKZDR-UHFFFAOYSA-N 1 2 259.309 1.219 20 30 CDEDLO Cc1ccccc1/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000493083837 358504973 /nfs/dbraw/zinc/50/49/73/358504973.db2.gz AKENAMVYQWCEED-ZNFPLGDCSA-N 1 2 271.364 1.968 20 30 CDEDLO C[C@@H]1CCN(c2cncc(C#N)n2)C[C@H]1n1cc[nH+]c1 ZINC000584046481 366255373 /nfs/dbraw/zinc/25/53/73/366255373.db2.gz WEEHQSYBEMBEBF-DGCLKSJQSA-N 1 2 268.324 1.632 20 30 CDEDLO CC(C)NC(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000070791511 356667406 /nfs/dbraw/zinc/66/74/06/356667406.db2.gz VKNCFLSOJWQYAI-UHFFFAOYSA-N 1 2 286.379 1.205 20 30 CDEDLO C=CCCOCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000143603140 356716315 /nfs/dbraw/zinc/71/63/15/356716315.db2.gz GCZGZYRRSJGFKV-UHFFFAOYSA-N 1 2 294.420 1.985 20 30 CDEDLO CCOC1CC(N(C)C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329751732 538639782 /nfs/dbraw/zinc/63/97/82/538639782.db2.gz VWVRBUWIKNYAKS-UNXYVOJBSA-N 1 2 292.383 1.680 20 30 CDEDLO CCOC1CC(N(C)C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329751732 538639790 /nfs/dbraw/zinc/63/97/90/538639790.db2.gz VWVRBUWIKNYAKS-UNXYVOJBSA-N 1 2 292.383 1.680 20 30 CDEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ncc[nH]1 ZINC000344097912 356888240 /nfs/dbraw/zinc/88/82/40/356888240.db2.gz CPBLXOHUFVNFPS-UHFFFAOYSA-N 1 2 270.336 1.930 20 30 CDEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ncc[nH]1 ZINC000344097912 356888245 /nfs/dbraw/zinc/88/82/45/356888245.db2.gz CPBLXOHUFVNFPS-UHFFFAOYSA-N 1 2 270.336 1.930 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000299195335 356981028 /nfs/dbraw/zinc/98/10/28/356981028.db2.gz DWCWAXROKHRVPO-CYBMUJFWSA-N 1 2 272.323 1.399 20 30 CDEDLO CN1CC[N@H+](C)[C@H](CNc2ccc(Cl)cc2C#N)C1 ZINC000070978797 357178108 /nfs/dbraw/zinc/17/81/08/357178108.db2.gz PLKHBNDVVGYREK-CYBMUJFWSA-N 1 2 278.787 1.869 20 30 CDEDLO CN1CC[N@@H+](C)[C@H](CNc2ccc(Cl)cc2C#N)C1 ZINC000070978797 357178111 /nfs/dbraw/zinc/17/81/11/357178111.db2.gz PLKHBNDVVGYREK-CYBMUJFWSA-N 1 2 278.787 1.869 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000180724406 357285364 /nfs/dbraw/zinc/28/53/64/357285364.db2.gz MVAGIDLYFNGUDB-UHFFFAOYSA-N 1 2 286.379 1.808 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000180724406 357285369 /nfs/dbraw/zinc/28/53/69/357285369.db2.gz MVAGIDLYFNGUDB-UHFFFAOYSA-N 1 2 286.379 1.808 20 30 CDEDLO C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000181344501 357337525 /nfs/dbraw/zinc/33/75/25/357337525.db2.gz RRCZDIVFZSKSQY-SMDDNHRTSA-N 1 2 283.335 1.806 20 30 CDEDLO C#CC[N@H+](Cc1ccccc1)C[C@H](C)CS(C)(=O)=O ZINC000491805461 357580246 /nfs/dbraw/zinc/58/02/46/357580246.db2.gz OCQXLOCBJITJSR-AWEZNQCLSA-N 1 2 279.405 1.803 20 30 CDEDLO C#CC[N@@H+](Cc1ccccc1)C[C@H](C)CS(C)(=O)=O ZINC000491805461 357580250 /nfs/dbraw/zinc/58/02/50/357580250.db2.gz OCQXLOCBJITJSR-AWEZNQCLSA-N 1 2 279.405 1.803 20 30 CDEDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000334684970 357620032 /nfs/dbraw/zinc/62/00/32/357620032.db2.gz YKLOFHREVSNBTM-OAHLLOKOSA-N 1 2 286.379 1.794 20 30 CDEDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000334684970 357620035 /nfs/dbraw/zinc/62/00/35/357620035.db2.gz YKLOFHREVSNBTM-OAHLLOKOSA-N 1 2 286.379 1.794 20 30 CDEDLO COCC[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000566425531 357697792 /nfs/dbraw/zinc/69/77/92/357697792.db2.gz ZOVKEOZQEHBWFV-AWEZNQCLSA-N 1 2 261.325 1.191 20 30 CDEDLO COCC[C@H]1COCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000566425531 357697796 /nfs/dbraw/zinc/69/77/96/357697796.db2.gz ZOVKEOZQEHBWFV-AWEZNQCLSA-N 1 2 261.325 1.191 20 30 CDEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccc(C#N)c1 ZINC000408084590 357817018 /nfs/dbraw/zinc/81/70/18/357817018.db2.gz RKSIOGBSOMHVML-RYUDHWBXSA-N 1 2 293.392 1.271 20 30 CDEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccc(C#N)c1 ZINC000408084590 357817021 /nfs/dbraw/zinc/81/70/21/357817021.db2.gz RKSIOGBSOMHVML-RYUDHWBXSA-N 1 2 293.392 1.271 20 30 CDEDLO COCC#CC[NH+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C ZINC000644778600 357886599 /nfs/dbraw/zinc/88/65/99/357886599.db2.gz WSUWATIMSLJVKB-ZIAGYGMSSA-N 1 2 280.412 1.604 20 30 CDEDLO N#Cc1cccc(C[N@H+]2C[C@H](F)C[C@H]2CO)c1F ZINC000335236145 357887388 /nfs/dbraw/zinc/88/73/88/357887388.db2.gz SPISFOZSDSBGAN-NEPJUHHUSA-N 1 2 252.264 1.602 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)c1F ZINC000335236145 357887390 /nfs/dbraw/zinc/88/73/90/357887390.db2.gz SPISFOZSDSBGAN-NEPJUHHUSA-N 1 2 252.264 1.602 20 30 CDEDLO C#CCCOc1ccc(C[N@@H+]2CCOC[C@H]2C#C)cc1 ZINC000491622972 366430555 /nfs/dbraw/zinc/43/05/55/366430555.db2.gz IGVQPHRNHOASCI-MRXNPFEDSA-N 1 2 269.344 1.923 20 30 CDEDLO C#CCCOc1ccc(C[N@H+]2CCOC[C@H]2C#C)cc1 ZINC000491622972 366430557 /nfs/dbraw/zinc/43/05/57/366430557.db2.gz IGVQPHRNHOASCI-MRXNPFEDSA-N 1 2 269.344 1.923 20 30 CDEDLO CCc1nn(CCc2c[nH+]cn2C)c(=O)c(C#N)c1CC ZINC000287459528 358657284 /nfs/dbraw/zinc/65/72/84/358657284.db2.gz HCIPFSKDJHMERB-UHFFFAOYSA-N 1 2 285.351 1.216 20 30 CDEDLO COCCN1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000051624969 358945927 /nfs/dbraw/zinc/94/59/27/358945927.db2.gz ZNOUIFASRYNPTL-UHFFFAOYSA-N 1 2 289.379 1.201 20 30 CDEDLO C=CCOCC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000645447581 359013066 /nfs/dbraw/zinc/01/30/66/359013066.db2.gz KJFCZCZXUAREJO-LLVKDONJSA-N 1 2 264.354 1.748 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](CC)CC(=O)N(C)C ZINC000677884486 482820800 /nfs/dbraw/zinc/82/08/00/482820800.db2.gz RFKSINIYDIZOFI-CYBMUJFWSA-N 1 2 283.416 1.210 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](CC)CC(=O)N(C)C ZINC000677884486 482820804 /nfs/dbraw/zinc/82/08/04/482820804.db2.gz RFKSINIYDIZOFI-CYBMUJFWSA-N 1 2 283.416 1.210 20 30 CDEDLO C#CC[N@@H+](CC)[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000267307839 359351854 /nfs/dbraw/zinc/35/18/54/359351854.db2.gz LYVJPRYOJFSTEZ-GFCCVEGCSA-N 1 2 285.347 1.315 20 30 CDEDLO C#CC[N@H+](CC)[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000267307839 359351855 /nfs/dbraw/zinc/35/18/55/359351855.db2.gz LYVJPRYOJFSTEZ-GFCCVEGCSA-N 1 2 285.347 1.315 20 30 CDEDLO C=CCNC(=O)CNc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000271997054 359440513 /nfs/dbraw/zinc/44/05/13/359440513.db2.gz JATOHVWYFDCZGF-UHFFFAOYSA-N 1 2 297.362 1.870 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+](C)Cc1ncc(Cl)n1C ZINC000272239089 359450211 /nfs/dbraw/zinc/45/02/11/359450211.db2.gz GFCVKXOSFWSWCP-JTQLQIEISA-N 1 2 257.765 1.832 20 30 CDEDLO C=CCC[C@H](O)C[N@H+](C)Cc1ncc(Cl)n1C ZINC000272239089 359450216 /nfs/dbraw/zinc/45/02/16/359450216.db2.gz GFCVKXOSFWSWCP-JTQLQIEISA-N 1 2 257.765 1.832 20 30 CDEDLO C=CCN(CCc1ccco1)C(=O)NCCn1cc[nH+]c1 ZINC000272210675 359450761 /nfs/dbraw/zinc/45/07/61/359450761.db2.gz OBJFNLSHLLTVBH-UHFFFAOYSA-N 1 2 288.351 1.916 20 30 CDEDLO C#CC[N@@H+](CC(=O)NC(=O)NCc1ccccc1)C1CC1 ZINC000274163315 359493717 /nfs/dbraw/zinc/49/37/17/359493717.db2.gz MMIKFFHYJWFRLU-UHFFFAOYSA-N 1 2 285.347 1.110 20 30 CDEDLO C#CC[N@H+](CC(=O)NC(=O)NCc1ccccc1)C1CC1 ZINC000274163315 359493722 /nfs/dbraw/zinc/49/37/22/359493722.db2.gz MMIKFFHYJWFRLU-UHFFFAOYSA-N 1 2 285.347 1.110 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](C)C[C@H]1C(=O)OC ZINC000275010351 359528239 /nfs/dbraw/zinc/52/82/39/359528239.db2.gz RIFKVGHKHCNSAB-KBPBESRZSA-N 1 2 294.395 1.461 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](C)C[C@H]1C(=O)OC ZINC000275010351 359528246 /nfs/dbraw/zinc/52/82/46/359528246.db2.gz RIFKVGHKHCNSAB-KBPBESRZSA-N 1 2 294.395 1.461 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nncn1C ZINC000275174547 359529067 /nfs/dbraw/zinc/52/90/67/359529067.db2.gz LSOQNEBMZOWLDV-NWDGAFQWSA-N 1 2 279.388 1.279 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)NCC=C)n1 ZINC000279648616 359591733 /nfs/dbraw/zinc/59/17/33/359591733.db2.gz BALIPABFYQDESF-CYBMUJFWSA-N 1 2 274.368 1.029 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)NCC=C)n1 ZINC000279648616 359591736 /nfs/dbraw/zinc/59/17/36/359591736.db2.gz BALIPABFYQDESF-CYBMUJFWSA-N 1 2 274.368 1.029 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000279806272 359595714 /nfs/dbraw/zinc/59/57/14/359595714.db2.gz WUIHSZMBLFYPJG-CHWSQXEVSA-N 1 2 263.341 1.371 20 30 CDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCOCC3(CC3)C2)cc1 ZINC000329291406 202269089 /nfs/dbraw/zinc/26/90/89/202269089.db2.gz ASKIJSGLUAMEAD-UHFFFAOYSA-N 1 2 285.347 1.609 20 30 CDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCOCC3(CC3)C2)cc1 ZINC000329291406 202269093 /nfs/dbraw/zinc/26/90/93/202269093.db2.gz ASKIJSGLUAMEAD-UHFFFAOYSA-N 1 2 285.347 1.609 20 30 CDEDLO CCN1CCN(c2cc(C)ncc2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000521395877 359968106 /nfs/dbraw/zinc/96/81/06/359968106.db2.gz UGUGBFYFUISLLV-OAHLLOKOSA-N 1 2 296.378 1.868 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1C(N)=O ZINC000130394655 360027822 /nfs/dbraw/zinc/02/78/22/360027822.db2.gz XJGJUIVGZZEQOA-LBPRGKRZSA-N 1 2 259.309 1.017 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1C(N)=O ZINC000130394655 360027828 /nfs/dbraw/zinc/02/78/28/360027828.db2.gz XJGJUIVGZZEQOA-LBPRGKRZSA-N 1 2 259.309 1.017 20 30 CDEDLO CC[N@@H+](Cc1ccc(C(=O)N(C)C)[nH]1)C[C@H](C)C#N ZINC000091982722 360259055 /nfs/dbraw/zinc/25/90/55/360259055.db2.gz ORXJZMOAMCQVNI-LLVKDONJSA-N 1 2 262.357 1.698 20 30 CDEDLO CC[N@H+](Cc1ccc(C(=O)N(C)C)[nH]1)C[C@H](C)C#N ZINC000091982722 360259056 /nfs/dbraw/zinc/25/90/56/360259056.db2.gz ORXJZMOAMCQVNI-LLVKDONJSA-N 1 2 262.357 1.698 20 30 CDEDLO O=S1(=O)CC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC000335724754 360851425 /nfs/dbraw/zinc/85/14/25/360851425.db2.gz JDZLHKHSVFQWKH-DZGCQCFKSA-N 1 2 293.363 1.296 20 30 CDEDLO O=S1(=O)CC[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC000335724754 360851427 /nfs/dbraw/zinc/85/14/27/360851427.db2.gz JDZLHKHSVFQWKH-DZGCQCFKSA-N 1 2 293.363 1.296 20 30 CDEDLO CCC(CC)[C@H](C(=O)N(C)C[C@H](C)C#N)[NH+]1CCOCC1 ZINC000359267709 360830660 /nfs/dbraw/zinc/83/06/60/360830660.db2.gz XDXQHAPAETXGGI-UKRRQHHQSA-N 1 2 295.427 1.741 20 30 CDEDLO CCn1nccc1C[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000429711068 360870531 /nfs/dbraw/zinc/87/05/31/360870531.db2.gz DFLNHOWVKODWSD-HNNXBMFYSA-N 1 2 289.383 1.143 20 30 CDEDLO CCn1nccc1C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000429711068 360870537 /nfs/dbraw/zinc/87/05/37/360870537.db2.gz DFLNHOWVKODWSD-HNNXBMFYSA-N 1 2 289.383 1.143 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccnn1CC ZINC000429732837 360873303 /nfs/dbraw/zinc/87/33/03/360873303.db2.gz YYGJYEANFCBZKO-LLVKDONJSA-N 1 2 250.346 1.026 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccnn1CC ZINC000429732837 360873306 /nfs/dbraw/zinc/87/33/06/360873306.db2.gz YYGJYEANFCBZKO-LLVKDONJSA-N 1 2 250.346 1.026 20 30 CDEDLO CC#CC[NH+]1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000157481711 360859455 /nfs/dbraw/zinc/85/94/55/360859455.db2.gz QQHQZVGSIJPGFK-HOTGVXAUSA-N 1 2 291.439 1.132 20 30 CDEDLO CC#CCN1CC[NH+](CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000157481711 360859458 /nfs/dbraw/zinc/85/94/58/360859458.db2.gz QQHQZVGSIJPGFK-HOTGVXAUSA-N 1 2 291.439 1.132 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000157889008 361036854 /nfs/dbraw/zinc/03/68/54/361036854.db2.gz FNEAOUHDVGHIKW-UHFFFAOYSA-N 1 2 270.376 1.705 20 30 CDEDLO C[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433294633 361228666 /nfs/dbraw/zinc/22/86/66/361228666.db2.gz ADOWOESNSULVHV-LBPRGKRZSA-N 1 2 251.374 1.869 20 30 CDEDLO C[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433294633 361228672 /nfs/dbraw/zinc/22/86/72/361228672.db2.gz ADOWOESNSULVHV-LBPRGKRZSA-N 1 2 251.374 1.869 20 30 CDEDLO C[N@H+](CC(=O)NCCOc1ccccc1)CC(C)(C)C#N ZINC000433316274 361232567 /nfs/dbraw/zinc/23/25/67/361232567.db2.gz HVCOGLWQNGNJGX-UHFFFAOYSA-N 1 2 289.379 1.663 20 30 CDEDLO C[N@@H+](CC(=O)NCCOc1ccccc1)CC(C)(C)C#N ZINC000433316274 361232573 /nfs/dbraw/zinc/23/25/73/361232573.db2.gz HVCOGLWQNGNJGX-UHFFFAOYSA-N 1 2 289.379 1.663 20 30 CDEDLO CCNC(=O)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000121606753 366705859 /nfs/dbraw/zinc/70/58/59/366705859.db2.gz CEKSPJUJJALHLT-UHFFFAOYSA-N 1 2 278.381 1.467 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000016554219 361436248 /nfs/dbraw/zinc/43/62/48/361436248.db2.gz KKONIHWFAFWPKP-UHFFFAOYSA-N 1 2 290.363 1.364 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000016554219 361436249 /nfs/dbraw/zinc/43/62/49/361436249.db2.gz KKONIHWFAFWPKP-UHFFFAOYSA-N 1 2 290.363 1.364 20 30 CDEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)C[C@@H]1CCCO1 ZINC000329364623 361490588 /nfs/dbraw/zinc/49/05/88/361490588.db2.gz HYLKDOXYOXNMKN-FRRDWIJNSA-N 1 2 270.373 1.621 20 30 CDEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)C[C@@H]1CCCO1 ZINC000329364623 361490591 /nfs/dbraw/zinc/49/05/91/361490591.db2.gz HYLKDOXYOXNMKN-FRRDWIJNSA-N 1 2 270.373 1.621 20 30 CDEDLO C#CCCCCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000159229072 361624297 /nfs/dbraw/zinc/62/42/97/361624297.db2.gz TVOMRSSJELLAKE-UHFFFAOYSA-N 1 2 270.336 1.937 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2ccccc2OCC)CC1 ZINC000159343461 361653765 /nfs/dbraw/zinc/65/37/65/361653765.db2.gz IDSWSJREACXMCG-UHFFFAOYSA-N 1 2 286.375 1.866 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000437847657 361693490 /nfs/dbraw/zinc/69/34/90/361693490.db2.gz MSUQEZSKEGLEAY-ZDUSSCGKSA-N 1 2 251.330 1.597 20 30 CDEDLO N#CCc1ccnc(NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000527000931 364047302 /nfs/dbraw/zinc/04/73/02/364047302.db2.gz RUVIVSAHXDQRQW-UHFFFAOYSA-N 1 2 255.281 1.442 20 30 CDEDLO N#CCc1ccnc(NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000527000931 364047305 /nfs/dbraw/zinc/04/73/05/364047305.db2.gz RUVIVSAHXDQRQW-UHFFFAOYSA-N 1 2 255.281 1.442 20 30 CDEDLO C[C@@H](C#N)CNC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000566436581 370722093 /nfs/dbraw/zinc/72/20/93/370722093.db2.gz CAHVBWHPYCYTOG-IUCAKERBSA-N 1 2 288.273 1.732 20 30 CDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C[C@H](C#N)CCC#N ZINC000352879300 364218501 /nfs/dbraw/zinc/21/85/01/364218501.db2.gz VQLIDXMOZKDLJP-QLFBSQMISA-N 1 2 276.384 1.225 20 30 CDEDLO C[C@@H]1C[C@@H](NC(=O)CNc2ccc(C#N)cc2)c2[nH+]ccn21 ZINC000456409826 364327958 /nfs/dbraw/zinc/32/79/58/364327958.db2.gz ZWBKJPWRBDNAFC-BXUZGUMPSA-N 1 2 295.346 1.989 20 30 CDEDLO CC(C)COC(=O)N1CC[NH+](CCOCCC#N)CC1 ZINC000496544909 366840911 /nfs/dbraw/zinc/84/09/11/366840911.db2.gz COWLFXWDBOBPPX-UHFFFAOYSA-N 1 2 283.372 1.327 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000270141936 364471951 /nfs/dbraw/zinc/47/19/51/364471951.db2.gz DNELMSSIBRWZIF-VIFPVBQESA-N 1 2 262.275 1.872 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000270141936 364471955 /nfs/dbraw/zinc/47/19/55/364471955.db2.gz DNELMSSIBRWZIF-VIFPVBQESA-N 1 2 262.275 1.872 20 30 CDEDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000042422119 364583791 /nfs/dbraw/zinc/58/37/91/364583791.db2.gz QJDAZBPVYQDMAX-CQSZACIVSA-N 1 2 275.327 1.798 20 30 CDEDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000042422119 364583796 /nfs/dbraw/zinc/58/37/96/364583796.db2.gz QJDAZBPVYQDMAX-CQSZACIVSA-N 1 2 275.327 1.798 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2ccncc2)nn1 ZINC000641034739 364863732 /nfs/dbraw/zinc/86/37/32/364863732.db2.gz WWJUTDMGFYBIEW-LBPRGKRZSA-N 1 2 255.325 1.395 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000375244817 370800232 /nfs/dbraw/zinc/80/02/32/370800232.db2.gz ISGJNHUJHBEHOI-DZGCQCFKSA-N 1 2 278.396 1.405 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000375244817 370800235 /nfs/dbraw/zinc/80/02/35/370800235.db2.gz ISGJNHUJHBEHOI-DZGCQCFKSA-N 1 2 278.396 1.405 20 30 CDEDLO Cc1ccc(C#N)c(NC[C@@H](C)[NH+]2CCN(C)CC2)n1 ZINC000161125326 367216232 /nfs/dbraw/zinc/21/62/32/367216232.db2.gz ATYSZUHUGFCFEH-CYBMUJFWSA-N 1 2 273.384 1.310 20 30 CDEDLO N#CCCCc1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000361261440 368717691 /nfs/dbraw/zinc/71/76/91/368717691.db2.gz JLJOVTJWIBZOIF-VXGBXAGGSA-N 1 2 276.340 1.842 20 30 CDEDLO N#CCCCc1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000361261440 368717693 /nfs/dbraw/zinc/71/76/93/368717693.db2.gz JLJOVTJWIBZOIF-VXGBXAGGSA-N 1 2 276.340 1.842 20 30 CDEDLO CC#CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000154402412 370917411 /nfs/dbraw/zinc/91/74/11/370917411.db2.gz VHGCSDLYBOWXJK-UHFFFAOYSA-N 1 2 284.275 1.534 20 30 CDEDLO N#Cc1cccc(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000330733674 203166537 /nfs/dbraw/zinc/16/65/37/203166537.db2.gz KTWPOFHMTPSHIN-UHFFFAOYSA-N 1 2 295.346 1.239 20 30 CDEDLO C=CC[N@@H+](CCc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000276301957 193278110 /nfs/dbraw/zinc/27/81/10/193278110.db2.gz KCPXQVJFCWWAKK-CQSZACIVSA-N 1 2 297.424 1.121 20 30 CDEDLO C=CC[N@H+](CCc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000276301957 193278112 /nfs/dbraw/zinc/27/81/12/193278112.db2.gz KCPXQVJFCWWAKK-CQSZACIVSA-N 1 2 297.424 1.121 20 30 CDEDLO C#CCC1(C(=O)NCCn2cc[nH+]c2)CCCCC1 ZINC000276368046 193302504 /nfs/dbraw/zinc/30/25/04/193302504.db2.gz ZUPIJBHQZPORGP-UHFFFAOYSA-N 1 2 259.353 1.973 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc2ccccc2n1 ZINC000565052474 370339837 /nfs/dbraw/zinc/33/98/37/370339837.db2.gz YXZPAKJKSZNFPW-INIZCTEOSA-N 1 2 282.347 1.808 20 30 CDEDLO CC#CC[C@@H](CO)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000645553049 370641632 /nfs/dbraw/zinc/64/16/32/370641632.db2.gz RUXSAAPJJXMSAC-AWEZNQCLSA-N 1 2 275.352 1.272 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000572885537 371330512 /nfs/dbraw/zinc/33/05/12/371330512.db2.gz DYCVRYKFOMONFN-ZDUSSCGKSA-N 1 2 294.286 1.308 20 30 CDEDLO CN(CC[NH+]1CCOCC1)c1ccc(F)cc1C#N ZINC000266315281 372221095 /nfs/dbraw/zinc/22/10/95/372221095.db2.gz DXAOBVVGXCIKHW-UHFFFAOYSA-N 1 2 263.316 1.466 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175394728 372658672 /nfs/dbraw/zinc/65/86/72/372658672.db2.gz FMPHORNBYCOITF-YUNKPMOVSA-N 1 2 294.420 1.719 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175394728 372658676 /nfs/dbraw/zinc/65/86/76/372658676.db2.gz FMPHORNBYCOITF-YUNKPMOVSA-N 1 2 294.420 1.719 20 30 CDEDLO CN1CC[N@H+](C)[C@H](CNc2c(C#N)cnc3ccccc32)C1 ZINC000266378874 372778773 /nfs/dbraw/zinc/77/87/73/372778773.db2.gz MUGFXICWJQDPNN-CQSZACIVSA-N 1 2 295.390 1.764 20 30 CDEDLO CN1CC[N@@H+](C)[C@H](CNc2c(C#N)cnc3ccccc32)C1 ZINC000266378874 372778779 /nfs/dbraw/zinc/77/87/79/372778779.db2.gz MUGFXICWJQDPNN-CQSZACIVSA-N 1 2 295.390 1.764 20 30 CDEDLO C#CC[N@@H+](C)CCCNc1nc([C@@H](C)OC)ns1 ZINC000392935705 373417116 /nfs/dbraw/zinc/41/71/16/373417116.db2.gz NIKLUBKZXPMCPH-SNVBAGLBSA-N 1 2 268.386 1.034 20 30 CDEDLO C#CC[N@H+](C)CCCNc1nc([C@@H](C)OC)ns1 ZINC000392935705 373417121 /nfs/dbraw/zinc/41/71/21/373417121.db2.gz NIKLUBKZXPMCPH-SNVBAGLBSA-N 1 2 268.386 1.034 20 30 CDEDLO C=CCCn1cc(CNc2c[nH+]cc(N(C)C)c2)nn1 ZINC000630956125 373533974 /nfs/dbraw/zinc/53/39/74/373533974.db2.gz MMDIKPFMNVDWCL-UHFFFAOYSA-N 1 2 272.356 1.927 20 30 CDEDLO CC(C)(C)[C@@H]([NH2+]Cc1nc(C#N)cs1)C(N)=O ZINC000356444387 373847875 /nfs/dbraw/zinc/84/78/75/373847875.db2.gz YLGYTDHKTAVTJF-VIFPVBQESA-N 1 2 252.343 1.004 20 30 CDEDLO Cc1nc(-c2nc(Cc3c[nH+]cn3C)no2)ccc1C#N ZINC000357953413 373939730 /nfs/dbraw/zinc/93/97/30/373939730.db2.gz FNMGOURYMBJKJA-UHFFFAOYSA-N 1 2 280.291 1.636 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000342278656 374077781 /nfs/dbraw/zinc/07/77/81/374077781.db2.gz FDUZLMYBHYXFEW-UMVBOHGHSA-N 1 2 279.384 1.248 20 30 CDEDLO CC[C@@](C)([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)C(N)=O ZINC000351266481 374165236 /nfs/dbraw/zinc/16/52/36/374165236.db2.gz DZAONBFXNXATME-OAHLLOKOSA-N 1 2 299.334 1.352 20 30 CDEDLO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc(C#N)cs2)[C@H](C)C1 ZINC000225425174 374356539 /nfs/dbraw/zinc/35/65/39/374356539.db2.gz OHLDGPMIJVHSJF-MNOVXSKESA-N 1 2 293.392 1.147 20 30 CDEDLO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc(C#N)cs2)[C@H](C)C1 ZINC000225425174 374356549 /nfs/dbraw/zinc/35/65/49/374356549.db2.gz OHLDGPMIJVHSJF-MNOVXSKESA-N 1 2 293.392 1.147 20 30 CDEDLO N#Cc1cccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000370417072 374392255 /nfs/dbraw/zinc/39/22/55/374392255.db2.gz WPGNAAFLDIMMKK-HNNXBMFYSA-N 1 2 285.347 1.105 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)o1 ZINC000376328212 374551111 /nfs/dbraw/zinc/55/11/11/374551111.db2.gz QKKZCOVDZCEIDG-SNVBAGLBSA-N 1 2 292.320 1.400 20 30 CDEDLO Cc1cc(C#N)nc(N(C)Cc2cn3c([nH+]2)CCCC3)n1 ZINC000376392168 374554127 /nfs/dbraw/zinc/55/41/27/374554127.db2.gz QZASVROCJBWNAX-UHFFFAOYSA-N 1 2 282.351 1.826 20 30 CDEDLO N#Cc1cccc([C@H]2C[N@H+](CCn3cccn3)CCO2)c1 ZINC000378311209 374639270 /nfs/dbraw/zinc/63/92/70/374639270.db2.gz LPDLLVYDHBSSMY-MRXNPFEDSA-N 1 2 282.347 1.828 20 30 CDEDLO N#Cc1cccc([C@H]2C[N@@H+](CCn3cccn3)CCO2)c1 ZINC000378311209 374639279 /nfs/dbraw/zinc/63/92/79/374639279.db2.gz LPDLLVYDHBSSMY-MRXNPFEDSA-N 1 2 282.347 1.828 20 30 CDEDLO CC(=O)N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118390282 374656659 /nfs/dbraw/zinc/65/66/59/374656659.db2.gz IQPWUDCALQYHIN-LBPRGKRZSA-N 1 2 257.337 1.783 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@H](C)[S@@](=O)CC2)cc1C#N ZINC000277159853 374774474 /nfs/dbraw/zinc/77/44/74/374774474.db2.gz KCXILCHZFGWNBB-YUNKPMOVSA-N 1 2 292.404 1.910 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@H](C)[S@@](=O)CC2)cc1C#N ZINC000277159853 374774481 /nfs/dbraw/zinc/77/44/81/374774481.db2.gz KCXILCHZFGWNBB-YUNKPMOVSA-N 1 2 292.404 1.910 20 30 CDEDLO Cc1nocc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000293783629 374789148 /nfs/dbraw/zinc/78/91/48/374789148.db2.gz BFIJXFCEZKCGJN-NSHDSACASA-N 1 2 298.350 1.355 20 30 CDEDLO Cc1nocc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000293783629 374789157 /nfs/dbraw/zinc/78/91/57/374789157.db2.gz BFIJXFCEZKCGJN-NSHDSACASA-N 1 2 298.350 1.355 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H](O)C2)c(Cl)c1 ZINC000332266918 375021815 /nfs/dbraw/zinc/02/18/15/375021815.db2.gz OTOHQLWWUSZFNE-GFCCVEGCSA-N 1 2 266.728 1.405 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H](O)C2)c(Cl)c1 ZINC000332266918 375021817 /nfs/dbraw/zinc/02/18/17/375021817.db2.gz OTOHQLWWUSZFNE-GFCCVEGCSA-N 1 2 266.728 1.405 20 30 CDEDLO COc1ccc(CNc2cc(C)[nH+]cc2C#N)c(OC)n1 ZINC000425266588 246744777 /nfs/dbraw/zinc/74/47/77/246744777.db2.gz IHWSIJHIHJRAEO-UHFFFAOYSA-N 1 2 284.319 1.708 20 30 CDEDLO CC[N@H+](CCNS(=O)(=O)c1ccccc1)C[C@@H](C)C#N ZINC000049000649 375390488 /nfs/dbraw/zinc/39/04/88/375390488.db2.gz ZBXAZQASKNBYPO-ZDUSSCGKSA-N 1 2 295.408 1.446 20 30 CDEDLO CC[N@@H+](CCNS(=O)(=O)c1ccccc1)C[C@@H](C)C#N ZINC000049000649 375390490 /nfs/dbraw/zinc/39/04/90/375390490.db2.gz ZBXAZQASKNBYPO-ZDUSSCGKSA-N 1 2 295.408 1.446 20 30 CDEDLO N#Cc1cccc(CNC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000493355704 375447553 /nfs/dbraw/zinc/44/75/53/375447553.db2.gz QOGOTFMRIUNLKF-SNAWJCMRSA-N 1 2 252.277 1.611 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000135028052 375673988 /nfs/dbraw/zinc/67/39/88/375673988.db2.gz BENHIFSZJNNTOD-HIFRSBDPSA-N 1 2 267.417 1.341 20 30 CDEDLO C#CC[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000193797276 375900629 /nfs/dbraw/zinc/90/06/29/375900629.db2.gz YYGYFEDZZKWROU-UHFFFAOYSA-N 1 2 264.350 1.049 20 30 CDEDLO C#CC[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000193797276 375900639 /nfs/dbraw/zinc/90/06/39/375900639.db2.gz YYGYFEDZZKWROU-UHFFFAOYSA-N 1 2 264.350 1.049 20 30 CDEDLO C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)O1 ZINC000328649177 375907967 /nfs/dbraw/zinc/90/79/67/375907967.db2.gz INYJXGZOFLTZNX-SBFPOUOMSA-N 1 2 263.341 1.968 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CCSC2)C1 ZINC000328879797 375999264 /nfs/dbraw/zinc/99/92/64/375999264.db2.gz VKOQDNMMDTVUIC-MNOVXSKESA-N 1 2 280.397 1.629 20 30 CDEDLO CNC(=O)Cc1noc(C[N@@H+]2CCc3ccsc3C2)n1 ZINC000328889800 376000538 /nfs/dbraw/zinc/00/05/38/376000538.db2.gz REJOOFQFOQBMIK-UHFFFAOYSA-N 1 2 292.364 1.818 20 30 CDEDLO CNC(=O)Cc1noc(C[N@H+]2CCc3ccsc3C2)n1 ZINC000328889800 376000544 /nfs/dbraw/zinc/00/05/44/376000544.db2.gz REJOOFQFOQBMIK-UHFFFAOYSA-N 1 2 292.364 1.818 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000527109074 376014020 /nfs/dbraw/zinc/01/40/20/376014020.db2.gz WOVDTOCQPKSBMB-CQSZACIVSA-N 1 2 263.341 1.495 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000328859301 375988502 /nfs/dbraw/zinc/98/85/02/375988502.db2.gz UYTQUNMQQVWNOK-HAQNSBGRSA-N 1 2 265.357 1.860 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)NCC1(C#N)CCC1 ZINC000419454612 376139038 /nfs/dbraw/zinc/13/90/38/376139038.db2.gz MQSRBNASORYHAS-UHFFFAOYSA-N 1 2 294.399 1.090 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)NCC1(C#N)CCC1 ZINC000419454612 376139049 /nfs/dbraw/zinc/13/90/49/376139049.db2.gz MQSRBNASORYHAS-UHFFFAOYSA-N 1 2 294.399 1.090 20 30 CDEDLO CC(=O)N1CCC[N@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000171375037 376555801 /nfs/dbraw/zinc/55/58/01/376555801.db2.gz JOSAPQBYKRPHML-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO CC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000171375037 376555812 /nfs/dbraw/zinc/55/58/12/376555812.db2.gz JOSAPQBYKRPHML-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO N#Cc1cccc(C2(C(=O)NCCn3cc[nH+]c3)CC2)c1 ZINC000435051285 248152179 /nfs/dbraw/zinc/15/21/79/248152179.db2.gz BSHOKDGSYUBXQT-UHFFFAOYSA-N 1 2 280.331 1.603 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCCCO ZINC000434694823 248129696 /nfs/dbraw/zinc/12/96/96/248129696.db2.gz WHPMMXGXPHTBQF-OAHLLOKOSA-N 1 2 290.363 1.867 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCCCO ZINC000434694823 248129698 /nfs/dbraw/zinc/12/96/98/248129698.db2.gz WHPMMXGXPHTBQF-OAHLLOKOSA-N 1 2 290.363 1.867 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000247478854 377125430 /nfs/dbraw/zinc/12/54/30/377125430.db2.gz FHYDIXJGHIXQIL-KGLIPLIRSA-N 1 2 268.401 1.910 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000247478854 377125446 /nfs/dbraw/zinc/12/54/46/377125446.db2.gz FHYDIXJGHIXQIL-KGLIPLIRSA-N 1 2 268.401 1.910 20 30 CDEDLO C=CC[N@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000072879174 377161239 /nfs/dbraw/zinc/16/12/39/377161239.db2.gz LHROZQFMKYUPIZ-UHFFFAOYSA-N 1 2 298.383 1.708 20 30 CDEDLO C=CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000072879174 377161250 /nfs/dbraw/zinc/16/12/50/377161250.db2.gz LHROZQFMKYUPIZ-UHFFFAOYSA-N 1 2 298.383 1.708 20 30 CDEDLO COc1c(C[NH2+]Cc2ccc(C#N)o2)c(C)nn1C ZINC000160147719 377303291 /nfs/dbraw/zinc/30/32/91/377303291.db2.gz UTBUMXFOIBDOGN-UHFFFAOYSA-N 1 2 260.297 1.492 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000572239829 377796627 /nfs/dbraw/zinc/79/66/27/377796627.db2.gz NJLCENUYJAYUIN-NEPJUHHUSA-N 1 2 295.383 1.030 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000572239829 377796630 /nfs/dbraw/zinc/79/66/30/377796630.db2.gz NJLCENUYJAYUIN-NEPJUHHUSA-N 1 2 295.383 1.030 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057908028 377861870 /nfs/dbraw/zinc/86/18/70/377861870.db2.gz GBBYQKNPNFHMQD-AWEZNQCLSA-N 1 2 262.357 1.276 20 30 CDEDLO CCn1cc[nH+]c1CN1CCN(c2ncccc2C#N)CC1 ZINC000069328779 377984693 /nfs/dbraw/zinc/98/46/93/377984693.db2.gz ZBBONQYVABAGCD-UHFFFAOYSA-N 1 2 296.378 1.492 20 30 CDEDLO C#CCCOc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC)cc1 ZINC000093050283 378028437 /nfs/dbraw/zinc/02/84/37/378028437.db2.gz VKZOMMNGJDSYRT-INIZCTEOSA-N 1 2 286.375 1.799 20 30 CDEDLO C#CCCOc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC)cc1 ZINC000093050283 378028442 /nfs/dbraw/zinc/02/84/42/378028442.db2.gz VKZOMMNGJDSYRT-INIZCTEOSA-N 1 2 286.375 1.799 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000282883337 378075539 /nfs/dbraw/zinc/07/55/39/378075539.db2.gz YQVNMYZJQYBJIP-CQSZACIVSA-N 1 2 293.388 1.318 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000282883337 378075547 /nfs/dbraw/zinc/07/55/47/378075547.db2.gz YQVNMYZJQYBJIP-CQSZACIVSA-N 1 2 293.388 1.318 20 30 CDEDLO C#CC[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000192237990 378179782 /nfs/dbraw/zinc/17/97/82/378179782.db2.gz JRPPUPNZTNYNFS-UHFFFAOYSA-N 1 2 262.265 1.526 20 30 CDEDLO C#CC[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000192237990 378179786 /nfs/dbraw/zinc/17/97/86/378179786.db2.gz JRPPUPNZTNYNFS-UHFFFAOYSA-N 1 2 262.265 1.526 20 30 CDEDLO C=CCn1c(N)nnc1SCc1c[nH+]ccc1OC ZINC000286672148 378236494 /nfs/dbraw/zinc/23/64/94/378236494.db2.gz RXLKFWFYQJBLEL-UHFFFAOYSA-N 1 2 277.353 1.742 20 30 CDEDLO C#CCN(Cc1ccccc1)C(=O)NCc1[nH+]ccn1C ZINC000287325109 378254005 /nfs/dbraw/zinc/25/40/05/378254005.db2.gz HRCVFBMCCHNLAB-UHFFFAOYSA-N 1 2 282.347 1.765 20 30 CDEDLO C#CCNC(=O)CC[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000293090928 378538196 /nfs/dbraw/zinc/53/81/96/378538196.db2.gz KJPKEXFOQANYRI-UHFFFAOYSA-N 1 2 294.358 1.327 20 30 CDEDLO C#CCNC(=O)CC[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000293090928 378538201 /nfs/dbraw/zinc/53/82/01/378538201.db2.gz KJPKEXFOQANYRI-UHFFFAOYSA-N 1 2 294.358 1.327 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000293135692 378539453 /nfs/dbraw/zinc/53/94/53/378539453.db2.gz NFRJGHWMQPHJTR-INIZCTEOSA-N 1 2 299.418 1.584 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000293135692 378539456 /nfs/dbraw/zinc/53/94/56/378539456.db2.gz NFRJGHWMQPHJTR-INIZCTEOSA-N 1 2 299.418 1.584 20 30 CDEDLO C#CC[NH+](CC#C)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000278508079 194017719 /nfs/dbraw/zinc/01/77/19/194017719.db2.gz MIYRHPYVEBNYAA-UHFFFAOYSA-N 1 2 283.327 1.599 20 30 CDEDLO CC[N@H+](CCC#N)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343529702 378922428 /nfs/dbraw/zinc/92/24/28/378922428.db2.gz CBFFGBGBVBLHSA-LBPRGKRZSA-N 1 2 293.323 1.570 20 30 CDEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343529702 378922437 /nfs/dbraw/zinc/92/24/37/378922437.db2.gz CBFFGBGBVBLHSA-LBPRGKRZSA-N 1 2 293.323 1.570 20 30 CDEDLO N#CC1(C[NH+]2CCN(c3cncc(F)c3)CC2)CC1 ZINC000343635783 378939543 /nfs/dbraw/zinc/93/95/43/378939543.db2.gz AJHJYJIBWZIDIX-UHFFFAOYSA-N 1 2 260.316 1.646 20 30 CDEDLO N#CCN(CC#N)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000069874143 379009416 /nfs/dbraw/zinc/00/94/16/379009416.db2.gz FZKHVFWASSWDDW-ZZXKWVIFSA-N 1 2 291.314 1.761 20 30 CDEDLO C#C[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)C(C)(C)C ZINC000288284046 197043793 /nfs/dbraw/zinc/04/37/93/197043793.db2.gz FHLIUNOPIWLBIR-CYBMUJFWSA-N 1 2 276.384 1.963 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnn(C(C)C)c2)C1=O ZINC000281250903 195167770 /nfs/dbraw/zinc/16/77/70/195167770.db2.gz MPKJMWHWUQTIEI-CQSZACIVSA-N 1 2 276.384 1.683 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnn(C(C)C)c2)C1=O ZINC000281250903 195167772 /nfs/dbraw/zinc/16/77/72/195167772.db2.gz MPKJMWHWUQTIEI-CQSZACIVSA-N 1 2 276.384 1.683 20 30 CDEDLO C=CCN(CC=C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105300614 390506656 /nfs/dbraw/zinc/50/66/56/390506656.db2.gz GBLIRSNURUWMSF-UONOGXRCSA-N 1 2 281.400 1.479 20 30 CDEDLO N#Cc1c(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)cn2ccccc12 ZINC000175912480 390666828 /nfs/dbraw/zinc/66/68/28/390666828.db2.gz KLNCLXSDMHXSOU-CYBMUJFWSA-N 1 2 295.346 1.020 20 30 CDEDLO N#Cc1c(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)cn2ccccc12 ZINC000175912480 390666834 /nfs/dbraw/zinc/66/68/34/390666834.db2.gz KLNCLXSDMHXSOU-CYBMUJFWSA-N 1 2 295.346 1.020 20 30 CDEDLO NC(CCO)=[NH+]OCc1ccc(OC(F)F)cc1 ZINC000136072249 390940900 /nfs/dbraw/zinc/94/09/00/390940900.db2.gz TZYZFKIXGKKRMK-UHFFFAOYSA-N 1 2 260.240 1.459 20 30 CDEDLO Cc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)CCO)c(F)c1 ZINC000121326422 390883244 /nfs/dbraw/zinc/88/32/44/390883244.db2.gz KLLLUQNZLZQNPJ-VIFPVBQESA-N 1 2 283.303 1.132 20 30 CDEDLO CCc1noc(C)c1CO[NH+]=C(N)C(C)(C)NC(C)=O ZINC000123116373 390909127 /nfs/dbraw/zinc/90/91/27/390909127.db2.gz XFWJKIKVCDTVDV-UHFFFAOYSA-N 1 2 282.344 1.249 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCOC2(CCC2)C1 ZINC000154220662 390912277 /nfs/dbraw/zinc/91/22/77/390912277.db2.gz ZDXSHDVKMWDTAK-GFCCVEGCSA-N 1 2 265.357 1.002 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCOC2(CCC2)C1 ZINC000154220662 390912278 /nfs/dbraw/zinc/91/22/78/390912278.db2.gz ZDXSHDVKMWDTAK-GFCCVEGCSA-N 1 2 265.357 1.002 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000448918741 390914402 /nfs/dbraw/zinc/91/44/02/390914402.db2.gz VDQJAHLFECNSSU-NWDGAFQWSA-N 1 2 254.374 1.424 20 30 CDEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000125443758 390918601 /nfs/dbraw/zinc/91/86/01/390918601.db2.gz ZRXKPNPSLKWOEO-NSHDSACASA-N 1 2 263.366 1.867 20 30 CDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]CC1=CCCOC1 ZINC000329554734 391014127 /nfs/dbraw/zinc/01/41/27/391014127.db2.gz QAXDVWLQJUSSNB-LBPRGKRZSA-N 1 2 276.340 1.048 20 30 CDEDLO [O-]C(NCC1=CCCOC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000329554734 391014132 /nfs/dbraw/zinc/01/41/32/391014132.db2.gz QAXDVWLQJUSSNB-LBPRGKRZSA-N 1 2 276.340 1.048 20 30 CDEDLO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000188537488 390967067 /nfs/dbraw/zinc/96/70/67/390967067.db2.gz GBERHDYLHSUQNF-CQSZACIVSA-N 1 2 287.363 1.676 20 30 CDEDLO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C#N)c(O)c1 ZINC000188537488 390967068 /nfs/dbraw/zinc/96/70/68/390967068.db2.gz GBERHDYLHSUQNF-CQSZACIVSA-N 1 2 287.363 1.676 20 30 CDEDLO Cc1cc(N2CCC(c3cc(N)n[nH]3)CC2)c(C#N)c[nH+]1 ZINC000574075315 390988164 /nfs/dbraw/zinc/98/81/64/390988164.db2.gz WGCJIPKGPLDZCN-UHFFFAOYSA-N 1 2 282.351 1.781 20 30 CDEDLO Cn1c[nH+]cc1Cc1noc(C2(C#N)CCCC2)n1 ZINC000329616414 391033893 /nfs/dbraw/zinc/03/38/93/391033893.db2.gz PUFFRXYHIQKGQO-UHFFFAOYSA-N 1 2 257.297 1.729 20 30 CDEDLO CCC[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CCO1 ZINC000329618609 391033910 /nfs/dbraw/zinc/03/39/10/391033910.db2.gz QPDWQKFEWBNIHW-NWDGAFQWSA-N 1 2 292.383 1.682 20 30 CDEDLO CCC[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CCO1 ZINC000329618609 391033913 /nfs/dbraw/zinc/03/39/13/391033913.db2.gz QPDWQKFEWBNIHW-NWDGAFQWSA-N 1 2 292.383 1.682 20 30 CDEDLO C#CCCCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000373110957 391106112 /nfs/dbraw/zinc/10/61/12/391106112.db2.gz FUOXCOZEFPCEBK-GFCCVEGCSA-N 1 2 260.341 1.712 20 30 CDEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(C)(C)C#N ZINC000408270714 391040840 /nfs/dbraw/zinc/04/08/40/391040840.db2.gz JKXPVVGNFYMCCT-UHFFFAOYSA-N 1 2 267.373 1.105 20 30 CDEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(C)(C)C#N ZINC000408270714 391040844 /nfs/dbraw/zinc/04/08/44/391040844.db2.gz JKXPVVGNFYMCCT-UHFFFAOYSA-N 1 2 267.373 1.105 20 30 CDEDLO C[C@H](NC(=O)N1CCn2c[nH+]cc2C1)[C@@H]1CCCOC1 ZINC000329643218 391062056 /nfs/dbraw/zinc/06/20/56/391062056.db2.gz ICVNKLBZDQNECB-NWDGAFQWSA-N 1 2 278.356 1.428 20 30 CDEDLO C[C@H]([NH+]=C([O-])N1CCn2c[nH+]cc2C1)[C@@H]1CCCOC1 ZINC000329643218 391062060 /nfs/dbraw/zinc/06/20/60/391062060.db2.gz ICVNKLBZDQNECB-NWDGAFQWSA-N 1 2 278.356 1.428 20 30 CDEDLO C=C(C)CS(=O)(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000373823632 391134577 /nfs/dbraw/zinc/13/45/77/391134577.db2.gz OQJSKQJVXKTCJD-UHFFFAOYSA-N 1 2 283.397 1.257 20 30 CDEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1cccc(C(N)=O)c1 ZINC000266178755 391170785 /nfs/dbraw/zinc/17/07/85/391170785.db2.gz FQJZXAGIGVMKFZ-NSHDSACASA-N 1 2 293.367 1.635 20 30 CDEDLO C=CCCCC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000345419400 391185641 /nfs/dbraw/zinc/18/56/41/391185641.db2.gz VCUSIBZKMCUAPB-CYBMUJFWSA-N 1 2 254.374 1.522 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338622406 391216123 /nfs/dbraw/zinc/21/61/23/391216123.db2.gz CKZVSKKOENCXCS-GXTWGEPZSA-N 1 2 297.374 1.124 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@](F)(CO)C1 ZINC000338622406 391216127 /nfs/dbraw/zinc/21/61/27/391216127.db2.gz CKZVSKKOENCXCS-GXTWGEPZSA-N 1 2 297.374 1.124 20 30 CDEDLO CC[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)C[C@@H](C)C#N ZINC000122899647 391215419 /nfs/dbraw/zinc/21/54/19/391215419.db2.gz YNOKJGYOSZWNET-LBPRGKRZSA-N 1 2 292.383 1.333 20 30 CDEDLO CC[N@@H+](CCN1C(=O)NC2(CCCC2)C1=O)C[C@@H](C)C#N ZINC000122899647 391215422 /nfs/dbraw/zinc/21/54/22/391215422.db2.gz YNOKJGYOSZWNET-LBPRGKRZSA-N 1 2 292.383 1.333 20 30 CDEDLO C=C(C)[C@H](CC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)OCC ZINC000339221711 391271634 /nfs/dbraw/zinc/27/16/34/391271634.db2.gz JZJARITXWMPPIP-CABCVRRESA-N 1 2 296.411 1.337 20 30 CDEDLO C=C(C)[C@H](CC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)OCC ZINC000339221711 391271641 /nfs/dbraw/zinc/27/16/41/391271641.db2.gz JZJARITXWMPPIP-CABCVRRESA-N 1 2 296.411 1.337 20 30 CDEDLO C[C@@H](C#N)S(=O)(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000416365365 391278184 /nfs/dbraw/zinc/27/81/84/391278184.db2.gz ATGVGSBLBZQZSM-QMMMGPOBSA-N 1 2 298.755 1.319 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cccc(C#N)c2)CCO1 ZINC000347606116 391301032 /nfs/dbraw/zinc/30/10/32/391301032.db2.gz JYZYLUVHYVIEFM-OAHLLOKOSA-N 1 2 287.363 1.399 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cccc(C#N)c2)CCO1 ZINC000347606116 391301035 /nfs/dbraw/zinc/30/10/35/391301035.db2.gz JYZYLUVHYVIEFM-OAHLLOKOSA-N 1 2 287.363 1.399 20 30 CDEDLO O=C(NCCn1cccn1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328957543 391398257 /nfs/dbraw/zinc/39/82/57/391398257.db2.gz OCCUZTVXXPRIFH-NSHDSACASA-N 1 2 259.313 1.299 20 30 CDEDLO CCOC(=O)[C@](C)(O)C[N@H+](CC#N)C1CCCC1 ZINC000354824729 391435249 /nfs/dbraw/zinc/43/52/49/391435249.db2.gz ZQBWCOLYNNHIFV-CYBMUJFWSA-N 1 2 254.330 1.069 20 30 CDEDLO CCOC(=O)[C@](C)(O)C[N@@H+](CC#N)C1CCCC1 ZINC000354824729 391435255 /nfs/dbraw/zinc/43/52/55/391435255.db2.gz ZQBWCOLYNNHIFV-CYBMUJFWSA-N 1 2 254.330 1.069 20 30 CDEDLO CN(C)C(=O)c1ccc(C[NH+]2CCC(F)(C#N)CC2)[nH]1 ZINC000348714434 391451148 /nfs/dbraw/zinc/45/11/48/391451148.db2.gz YTHFMBOHIOTDAE-UHFFFAOYSA-N 1 2 278.331 1.544 20 30 CDEDLO Cc1cccc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)n1 ZINC000330620177 391460644 /nfs/dbraw/zinc/46/06/44/391460644.db2.gz JFPWLSXTLQAPHH-LBPRGKRZSA-N 1 2 263.341 1.415 20 30 CDEDLO Cc1cccc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)n1 ZINC000330620177 391460647 /nfs/dbraw/zinc/46/06/47/391460647.db2.gz JFPWLSXTLQAPHH-LBPRGKRZSA-N 1 2 263.341 1.415 20 30 CDEDLO N#C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccccc1F ZINC000349424775 391550987 /nfs/dbraw/zinc/55/09/87/391550987.db2.gz FCNLLZRKTUTQFP-XHDPSFHLSA-N 1 2 298.321 1.966 20 30 CDEDLO C=CC1CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000349997109 391590719 /nfs/dbraw/zinc/59/07/19/391590719.db2.gz YZDQKKCDRVJILK-CYBMUJFWSA-N 1 2 281.400 1.315 20 30 CDEDLO C=CC1CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000349997109 391590726 /nfs/dbraw/zinc/59/07/26/391590726.db2.gz YZDQKKCDRVJILK-CYBMUJFWSA-N 1 2 281.400 1.315 20 30 CDEDLO CCN(CC)c1ccc(Nc2ncncc2C#N)c[nH+]1 ZINC000573999740 391667059 /nfs/dbraw/zinc/66/70/59/391667059.db2.gz HDAVRJNAWCJFIZ-UHFFFAOYSA-N 1 2 268.324 1.755 20 30 CDEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)NCC(F)(F)F ZINC000362170259 391713351 /nfs/dbraw/zinc/71/33/51/391713351.db2.gz OLJCXLUHOMDFHP-QMMMGPOBSA-N 1 2 251.252 1.289 20 30 CDEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)NCC(F)(F)F ZINC000362170259 391713352 /nfs/dbraw/zinc/71/33/52/391713352.db2.gz OLJCXLUHOMDFHP-QMMMGPOBSA-N 1 2 251.252 1.289 20 30 CDEDLO COc1cccc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000520306504 391781388 /nfs/dbraw/zinc/78/13/88/391781388.db2.gz PLEKLGLSXHTDKZ-HNNXBMFYSA-N 1 2 275.352 1.198 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCCCO[C@@H](C)c1ccccc1 ZINC000192222746 130397259 /nfs/dbraw/zinc/39/72/59/130397259.db2.gz KDQIKZQWJXJXQU-HNNXBMFYSA-N 1 2 288.391 1.836 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCCCO[C@@H](C)c1ccccc1 ZINC000192222746 130397260 /nfs/dbraw/zinc/39/72/60/130397260.db2.gz KDQIKZQWJXJXQU-HNNXBMFYSA-N 1 2 288.391 1.836 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCCOc1cccc(Cl)c1 ZINC000192222923 130397468 /nfs/dbraw/zinc/39/74/68/130397468.db2.gz XSWBTHOTBADKON-UHFFFAOYSA-N 1 2 280.755 1.400 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCCOc1cccc(Cl)c1 ZINC000192222923 130397470 /nfs/dbraw/zinc/39/74/70/130397470.db2.gz XSWBTHOTBADKON-UHFFFAOYSA-N 1 2 280.755 1.400 20 30 CDEDLO CCOc1ccccc1C1=CC[N@H+](CC(=O)NCC#N)CC1 ZINC000343040485 392083694 /nfs/dbraw/zinc/08/36/94/392083694.db2.gz DXEOJFJAVRFFFX-UHFFFAOYSA-N 1 2 299.374 1.814 20 30 CDEDLO CCOc1ccccc1C1=CC[N@@H+](CC(=O)NCC#N)CC1 ZINC000343040485 392083698 /nfs/dbraw/zinc/08/36/98/392083698.db2.gz DXEOJFJAVRFFFX-UHFFFAOYSA-N 1 2 299.374 1.814 20 30 CDEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CC(O)(CC#N)C1 ZINC000193975016 392106230 /nfs/dbraw/zinc/10/62/30/392106230.db2.gz IEYZEUNQPVRXES-UHFFFAOYSA-N 1 2 298.346 1.086 20 30 CDEDLO N#Cc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H]2F)C(N)=O)cc1 ZINC000419201824 392886949 /nfs/dbraw/zinc/88/69/49/392886949.db2.gz YCSRUJIRTLPFGI-XQQFMLRXSA-N 1 2 261.300 1.565 20 30 CDEDLO CCN(CC)C(=O)CCCNc1cc(C)[nH+]cc1C#N ZINC000425212245 392994330 /nfs/dbraw/zinc/99/43/30/392994330.db2.gz ZLSIJTYRDGEEFZ-UHFFFAOYSA-N 1 2 274.368 1.744 20 30 CDEDLO CCOC(=O)C[C@@H](C)CNc1cc(C)[nH+]cc1C#N ZINC000425247600 393003923 /nfs/dbraw/zinc/00/39/23/393003923.db2.gz OMSRBGPSVOXDAS-SNVBAGLBSA-N 1 2 261.325 1.685 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000534308484 393097008 /nfs/dbraw/zinc/09/70/08/393097008.db2.gz NVIXLMPOVTUTLI-AWEZNQCLSA-N 1 2 285.347 1.373 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000534308484 393097015 /nfs/dbraw/zinc/09/70/15/393097015.db2.gz NVIXLMPOVTUTLI-AWEZNQCLSA-N 1 2 285.347 1.373 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CCc3ccc(C#N)cc3)C[C@H]21 ZINC000532124776 393067967 /nfs/dbraw/zinc/06/79/67/393067967.db2.gz XYULYZSAJDATJZ-CVEARBPZSA-N 1 2 299.374 1.032 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)CCc3ccc(C#N)cc3)C[C@H]21 ZINC000532124776 393067971 /nfs/dbraw/zinc/06/79/71/393067971.db2.gz XYULYZSAJDATJZ-CVEARBPZSA-N 1 2 299.374 1.032 20 30 CDEDLO Cc1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c(C#N)cn1 ZINC000333471813 393175703 /nfs/dbraw/zinc/17/57/03/393175703.db2.gz NTMIVHVUOQULIS-ZFWWWQNUSA-N 1 2 286.379 1.561 20 30 CDEDLO Cc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)o1 ZINC000091936595 135074424 /nfs/dbraw/zinc/07/44/24/135074424.db2.gz LPALJDMOXDRRBW-LBPRGKRZSA-N 1 2 297.362 1.960 20 30 CDEDLO Cc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)o1 ZINC000091936595 135074425 /nfs/dbraw/zinc/07/44/25/135074425.db2.gz LPALJDMOXDRRBW-LBPRGKRZSA-N 1 2 297.362 1.960 20 30 CDEDLO C[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H](CO)O1 ZINC000230417882 140212380 /nfs/dbraw/zinc/21/23/80/140212380.db2.gz ZJCIQRFFOAWLLF-GWCFXTLKSA-N 1 2 264.300 1.279 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H](CO)O1 ZINC000230417882 140212382 /nfs/dbraw/zinc/21/23/82/140212382.db2.gz ZJCIQRFFOAWLLF-GWCFXTLKSA-N 1 2 264.300 1.279 20 30 CDEDLO CC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000232561726 140222752 /nfs/dbraw/zinc/22/27/52/140222752.db2.gz UZVPBJVBHYYVIT-CQSZACIVSA-N 1 2 261.300 1.408 20 30 CDEDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000232561726 140222754 /nfs/dbraw/zinc/22/27/54/140222754.db2.gz UZVPBJVBHYYVIT-CQSZACIVSA-N 1 2 261.300 1.408 20 30 CDEDLO C=CCn1cc(C[NH2+][C@H]2CCCn3nccc32)nn1 ZINC000658037644 413147175 /nfs/dbraw/zinc/14/71/75/413147175.db2.gz IGFBVCNCZJMEBF-LBPRGKRZSA-N 1 2 258.329 1.285 20 30 CDEDLO C=CCn1cc(C(=O)NCc2cc(C)[nH+]c(C)c2)nn1 ZINC000648422921 397656754 /nfs/dbraw/zinc/65/67/54/397656754.db2.gz IRTPKLQBWJQVNO-UHFFFAOYSA-N 1 2 271.324 1.406 20 30 CDEDLO CC[C@H]1C[N@H+](CCNc2nnc(C)c(C)c2C#N)CCO1 ZINC000343111962 152035848 /nfs/dbraw/zinc/03/58/48/152035848.db2.gz UPZOOOYFZLPKNN-ZDUSSCGKSA-N 1 2 289.383 1.488 20 30 CDEDLO CC[C@H]1C[N@@H+](CCNc2nnc(C)c(C)c2C#N)CCO1 ZINC000343111962 152035853 /nfs/dbraw/zinc/03/58/53/152035853.db2.gz UPZOOOYFZLPKNN-ZDUSSCGKSA-N 1 2 289.383 1.488 20 30 CDEDLO CCN(CCOC)c1cccc(Cn2cc(C#N)c(C)n2)[nH+]1 ZINC000359355989 158223542 /nfs/dbraw/zinc/22/35/42/158223542.db2.gz YAKLPWMJGPSIOR-UHFFFAOYSA-N 1 2 299.378 1.979 20 30 CDEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000373088898 160171855 /nfs/dbraw/zinc/17/18/55/160171855.db2.gz SXEVUZZAUPRJQC-CQSZACIVSA-N 1 2 280.331 1.634 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C1(C#N)CCCCC1 ZINC000044385964 286848482 /nfs/dbraw/zinc/84/84/82/286848482.db2.gz KAOPAPJAWPMBHK-ZDUSSCGKSA-N 1 2 279.384 1.297 20 30 CDEDLO C=CCCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000660949423 413681491 /nfs/dbraw/zinc/68/14/91/413681491.db2.gz DXSISGXWHWJROX-GFCCVEGCSA-N 1 2 260.341 1.536 20 30 CDEDLO C=CC[N@H+](CC(=O)Nc1nccs1)[C@@H](C)COC ZINC000661243482 413916557 /nfs/dbraw/zinc/91/65/57/413916557.db2.gz LBLNECYYOUFEPP-JTQLQIEISA-N 1 2 269.370 1.605 20 30 CDEDLO C=CC[N@@H+](CC(=O)Nc1nccs1)[C@@H](C)COC ZINC000661243482 413916563 /nfs/dbraw/zinc/91/65/63/413916563.db2.gz LBLNECYYOUFEPP-JTQLQIEISA-N 1 2 269.370 1.605 20 30 CDEDLO C=CCN(CCOC)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000655025105 413930512 /nfs/dbraw/zinc/93/05/12/413930512.db2.gz JTOBTJVYQANRMS-NSHDSACASA-N 1 2 251.330 1.249 20 30 CDEDLO C=CCN(CCOC)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000655025105 413930521 /nfs/dbraw/zinc/93/05/21/413930521.db2.gz JTOBTJVYQANRMS-NSHDSACASA-N 1 2 251.330 1.249 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H](C)C(=O)N[C@@H](C)CC)nn1 ZINC000657335687 414195147 /nfs/dbraw/zinc/19/51/47/414195147.db2.gz SIHXATIPCHWUGA-RYUDHWBXSA-N 1 2 279.388 1.247 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1nc(-c2ccc(C)c(OC)c2)no1 ZINC000662168307 414548135 /nfs/dbraw/zinc/54/81/35/414548135.db2.gz AVIQKGQCBRSREM-GFCCVEGCSA-N 1 2 289.335 1.690 20 30 CDEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(O)CC2)c(C#N)c1C ZINC000071832672 176273603 /nfs/dbraw/zinc/27/36/03/176273603.db2.gz AXALFUCTHWULTD-SNVBAGLBSA-N 1 2 291.351 1.552 20 30 CDEDLO N#CCCCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000344419657 225052379 /nfs/dbraw/zinc/05/23/79/225052379.db2.gz JVOFTQMMGALGJT-UHFFFAOYSA-N 1 2 297.318 1.231 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCCCCC#N)C1CC1 ZINC000344739667 225146719 /nfs/dbraw/zinc/14/67/19/225146719.db2.gz JHBOHALXBMHQCW-LBPRGKRZSA-N 1 2 275.356 1.864 20 30 CDEDLO Cc1cnc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)cn1 ZINC000329024924 227261640 /nfs/dbraw/zinc/26/16/40/227261640.db2.gz VACFUETWQNIFEV-CYBMUJFWSA-N 1 2 260.341 1.868 20 30 CDEDLO Cc1cnc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)cn1 ZINC000329024924 227261643 /nfs/dbraw/zinc/26/16/43/227261643.db2.gz VACFUETWQNIFEV-CYBMUJFWSA-N 1 2 260.341 1.868 20 30 CDEDLO C[C@@H](C(=O)NCC1(C#N)CCC1)[NH+]1CCSCC1 ZINC000331946848 228141058 /nfs/dbraw/zinc/14/10/58/228141058.db2.gz NACJWCGUBVJXRB-NSHDSACASA-N 1 2 267.398 1.234 20 30 CDEDLO C[C@H](F)CC[N@H+](CCC#N)CCN1CCOCC1 ZINC000352013291 228174293 /nfs/dbraw/zinc/17/42/93/228174293.db2.gz IKBHMGGGKBCBSV-ZDUSSCGKSA-N 1 2 257.353 1.282 20 30 CDEDLO C[C@H](F)CC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000352013291 228174294 /nfs/dbraw/zinc/17/42/94/228174294.db2.gz IKBHMGGGKBCBSV-ZDUSSCGKSA-N 1 2 257.353 1.282 20 30 CDEDLO C[C@H](F)CCN(CCC#N)CC[NH+]1CCOCC1 ZINC000352013291 228174295 /nfs/dbraw/zinc/17/42/95/228174295.db2.gz IKBHMGGGKBCBSV-ZDUSSCGKSA-N 1 2 257.353 1.282 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1noc(C)n1 ZINC000332402395 260005073 /nfs/dbraw/zinc/00/50/73/260005073.db2.gz WGAOGBZSFZAMGV-VXGBXAGGSA-N 1 2 251.330 1.842 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1noc(C)n1 ZINC000332402395 260005075 /nfs/dbraw/zinc/00/50/75/260005075.db2.gz WGAOGBZSFZAMGV-VXGBXAGGSA-N 1 2 251.330 1.842 20 30 CDEDLO N#CC1(C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)CC1 ZINC000408108818 260235684 /nfs/dbraw/zinc/23/56/84/260235684.db2.gz BRYSEZITMDICLB-ZDUSSCGKSA-N 1 2 277.368 1.003 20 30 CDEDLO N#CC1(C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)CC1 ZINC000408108818 260235685 /nfs/dbraw/zinc/23/56/85/260235685.db2.gz BRYSEZITMDICLB-ZDUSSCGKSA-N 1 2 277.368 1.003 20 30 CDEDLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000069065061 260260011 /nfs/dbraw/zinc/26/00/11/260260011.db2.gz LVTKOOUVBNLJQS-ZDUSSCGKSA-N 1 2 288.351 1.928 20 30 CDEDLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000069065061 260260013 /nfs/dbraw/zinc/26/00/13/260260013.db2.gz LVTKOOUVBNLJQS-ZDUSSCGKSA-N 1 2 288.351 1.928 20 30 CDEDLO C[C@@H](O[NH+]=C(N)CCO)C(=O)N1c2ccccc2C[C@H]1C ZINC000136070101 260923194 /nfs/dbraw/zinc/92/31/94/260923194.db2.gz ZRKAGDADBNAXLC-GHMZBOCLSA-N 1 2 291.351 1.024 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccccc1OCC#N ZINC000155051323 261097492 /nfs/dbraw/zinc/09/74/92/261097492.db2.gz DIEZGAKABXEMLM-UHFFFAOYSA-N 1 2 298.346 1.948 20 30 CDEDLO C#CC[NH+]1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000490831078 261220061 /nfs/dbraw/zinc/22/00/61/261220061.db2.gz QSCZLPUUUMBIGZ-UHFFFAOYSA-N 1 2 260.297 1.053 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000249941194 261260865 /nfs/dbraw/zinc/26/08/65/261260865.db2.gz WGINRTAZISCUJF-RBSFLKMASA-N 1 2 293.411 1.638 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000249941194 261260868 /nfs/dbraw/zinc/26/08/68/261260868.db2.gz WGINRTAZISCUJF-RBSFLKMASA-N 1 2 293.411 1.638 20 30 CDEDLO C#C[C@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)C(C)C ZINC000490994799 261284956 /nfs/dbraw/zinc/28/49/56/261284956.db2.gz FRNIZYNDIALXIS-AWEZNQCLSA-N 1 2 269.348 1.959 20 30 CDEDLO C#CC[N@@H+](C[C@H]1CCC(C)(C)O1)[C@H]1CCS(=O)(=O)C1 ZINC000491040994 261307739 /nfs/dbraw/zinc/30/77/39/261307739.db2.gz WUELQWLLFQUVLC-QWHCGFSZSA-N 1 2 285.409 1.066 20 30 CDEDLO C#CC[N@H+](C[C@H]1CCC(C)(C)O1)[C@H]1CCS(=O)(=O)C1 ZINC000491040994 261307740 /nfs/dbraw/zinc/30/77/40/261307740.db2.gz WUELQWLLFQUVLC-QWHCGFSZSA-N 1 2 285.409 1.066 20 30 CDEDLO Cc1cc(N)nc(SCC(=O)N[C@](C)(C#N)C2CC2)[nH+]1 ZINC000007048950 261376696 /nfs/dbraw/zinc/37/66/96/261376696.db2.gz UBPCRMJPMLCDOQ-CYBMUJFWSA-N 1 2 291.380 1.268 20 30 CDEDLO Cn1ccc(N2CCC[C@@H]([NH+]3CCC(C#N)CC3)C2=O)n1 ZINC000173586852 261538545 /nfs/dbraw/zinc/53/85/45/261538545.db2.gz AESQEBTYRIAHOX-CYBMUJFWSA-N 1 2 287.367 1.151 20 30 CDEDLO N#CC1CCN(c2cc(N3CCC(C#N)CC3)[nH+]cn2)CC1 ZINC000355346384 262363403 /nfs/dbraw/zinc/36/34/03/262363403.db2.gz UCLCMSKUGQNSPH-UHFFFAOYSA-N 1 2 296.378 1.957 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](CCC)[C@@H](C)C(=O)OCC)C1=O ZINC000411646804 262703398 /nfs/dbraw/zinc/70/33/98/262703398.db2.gz LBDGUUSHEFBRCN-QWHCGFSZSA-N 1 2 282.384 1.437 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](CCC)[C@@H](C)C(=O)OCC)C1=O ZINC000411646804 262703399 /nfs/dbraw/zinc/70/33/99/262703399.db2.gz LBDGUUSHEFBRCN-QWHCGFSZSA-N 1 2 282.384 1.437 20 30 CDEDLO Cn1c[nH+]cc1CON=C(N)[C@H]1COc2ccccc2O1 ZINC000268744435 262957153 /nfs/dbraw/zinc/95/71/53/262957153.db2.gz ZWOULJBMHZZQSR-CYBMUJFWSA-N 1 2 288.307 1.049 20 30 CDEDLO N#C[C@H](NC(=O)CCc1[nH]cc[nH+]1)C1CCCCC1 ZINC000279531134 263055959 /nfs/dbraw/zinc/05/59/59/263055959.db2.gz VYKDYBKTBPFNTR-LBPRGKRZSA-N 1 2 260.341 1.931 20 30 CDEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCCn2cc[nH+]c2)cc1 ZINC000279693728 263056912 /nfs/dbraw/zinc/05/69/12/263056912.db2.gz IGRXNUHLUDKITH-HNNXBMFYSA-N 1 2 293.330 1.253 20 30 CDEDLO Cc1ccccc1NC(=O)[C@H](C)O[NH+]=C(N)[C@@H]1CCCO1 ZINC000283904398 263084794 /nfs/dbraw/zinc/08/47/94/263084794.db2.gz DHYTVRPEVMEKLU-AAEUAGOBSA-N 1 2 291.351 1.790 20 30 CDEDLO N#Cc1cccc(OCCO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000284387735 263086597 /nfs/dbraw/zinc/08/65/97/263086597.db2.gz MICWWOCRXJIYIO-CYBMUJFWSA-N 1 2 275.308 1.405 20 30 CDEDLO C=CC[C@@H](CO)C[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000340315662 263110414 /nfs/dbraw/zinc/11/04/14/263110414.db2.gz DWDPRJHOQVXXMV-RISCZKNCSA-N 1 2 290.342 1.807 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299165077 263232373 /nfs/dbraw/zinc/23/23/73/263232373.db2.gz NQAJIUUWNZAGJO-WCQYABFASA-N 1 2 293.323 1.426 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299165077 263232374 /nfs/dbraw/zinc/23/23/74/263232374.db2.gz NQAJIUUWNZAGJO-WCQYABFASA-N 1 2 293.323 1.426 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)C[C@@H]1CCCS(=O)(=O)C1 ZINC000341874557 263361557 /nfs/dbraw/zinc/36/15/57/263361557.db2.gz JQUPFKOHOPOFJM-RYUDHWBXSA-N 1 2 258.387 1.293 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)C[C@@H]1CCCS(=O)(=O)C1 ZINC000341874557 263361558 /nfs/dbraw/zinc/36/15/58/263361558.db2.gz JQUPFKOHOPOFJM-RYUDHWBXSA-N 1 2 258.387 1.293 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NC(=O)CC(C)(C)C#N)C1CC1 ZINC000341723247 263347620 /nfs/dbraw/zinc/34/76/20/263347620.db2.gz XEYLGJYMIULLJM-GFCCVEGCSA-N 1 2 260.341 1.927 20 30 CDEDLO Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC000328918441 263902006 /nfs/dbraw/zinc/90/20/06/263902006.db2.gz BGQNQOWXXZFXOL-SNVBAGLBSA-N 1 2 274.328 1.071 20 30 CDEDLO Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC000328918441 263902007 /nfs/dbraw/zinc/90/20/07/263902007.db2.gz BGQNQOWXXZFXOL-SNVBAGLBSA-N 1 2 274.328 1.071 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(C(C)(C)C)on1 ZINC000330898343 264079210 /nfs/dbraw/zinc/07/92/10/264079210.db2.gz MTLVBRJKRZPGOF-NSHDSACASA-N 1 2 295.383 1.997 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cc(C(C)(C)C)on1 ZINC000330898343 264079211 /nfs/dbraw/zinc/07/92/11/264079211.db2.gz MTLVBRJKRZPGOF-NSHDSACASA-N 1 2 295.383 1.997 20 30 CDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cccnc1 ZINC000331350739 264206374 /nfs/dbraw/zinc/20/63/74/264206374.db2.gz NXDXHXWKWMUBAM-UHFFFAOYSA-N 1 2 263.341 1.497 20 30 CDEDLO Cc1ocnc1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000331356709 264208586 /nfs/dbraw/zinc/20/85/86/264208586.db2.gz SGSBZSNQFBPRBI-UHFFFAOYSA-N 1 2 267.329 1.398 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)N[C@@H]1CC[C@H](C#N)C1)[NH+]1CCOCC1 ZINC000425444510 264324378 /nfs/dbraw/zinc/32/43/78/264324378.db2.gz BQCBJHQMLBCDGB-RFQIPJPRSA-N 1 2 294.399 1.087 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000356751570 266168145 /nfs/dbraw/zinc/16/81/45/266168145.db2.gz LXJIBCLWODQYNR-UMVBOHGHSA-N 1 2 279.384 1.248 20 30 CDEDLO C=CCN(C(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000357570622 266328242 /nfs/dbraw/zinc/32/82/42/266328242.db2.gz OEQQVVCDMUSRRT-UHFFFAOYSA-N 1 2 281.400 1.457 20 30 CDEDLO C=C[C@H](C)NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000362543491 267005587 /nfs/dbraw/zinc/00/55/87/267005587.db2.gz SOUUIVRBBRKBTL-LBPRGKRZSA-N 1 2 290.367 1.292 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)[C@H](C(N)=O)C1 ZINC000187448186 267022642 /nfs/dbraw/zinc/02/26/42/267022642.db2.gz GMVDNHHDOXMBEE-YGRLFVJLSA-N 1 2 275.327 1.783 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@H](C(N)=O)C1 ZINC000187448186 267022644 /nfs/dbraw/zinc/02/26/44/267022644.db2.gz GMVDNHHDOXMBEE-YGRLFVJLSA-N 1 2 275.327 1.783 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@H](C(N)=O)C1 ZINC000190163322 267022856 /nfs/dbraw/zinc/02/28/56/267022856.db2.gz QYQMPNPBQFMFPQ-SKDRFNHKSA-N 1 2 263.366 1.706 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@H](C(N)=O)C1 ZINC000190163322 267022861 /nfs/dbraw/zinc/02/28/61/267022861.db2.gz QYQMPNPBQFMFPQ-SKDRFNHKSA-N 1 2 263.366 1.706 20 30 CDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CC(C)(C)C#N ZINC000367747882 267114418 /nfs/dbraw/zinc/11/44/18/267114418.db2.gz WUDKOTGUNWGLGC-CHWSQXEVSA-N 1 2 279.384 1.248 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)CCCC#N)C1 ZINC000369371528 267238155 /nfs/dbraw/zinc/23/81/55/267238155.db2.gz WKJZGSJNCCMBEV-GFCCVEGCSA-N 1 2 296.396 1.233 20 30 CDEDLO Cn1c[nH+]cc1CN1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000375919029 267922180 /nfs/dbraw/zinc/92/21/80/267922180.db2.gz YMHHZRIBYKYQFK-HUUCEWRRSA-N 1 2 274.368 1.847 20 30 CDEDLO N#Cc1c2c(cnc1N1CCn3cc[nH+]c3C1)CCC2 ZINC000519644923 268169512 /nfs/dbraw/zinc/16/95/12/268169512.db2.gz XWVOHEHOHDGWIH-UHFFFAOYSA-N 1 2 265.320 1.659 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)CCc1ccc(C#N)cc1 ZINC000053758718 277000156 /nfs/dbraw/zinc/00/01/56/277000156.db2.gz WHMSOOZJYGAATN-UHFFFAOYSA-N 1 2 282.347 1.883 20 30 CDEDLO Cc1cnc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cn1 ZINC000330294444 279007715 /nfs/dbraw/zinc/00/77/15/279007715.db2.gz FGCFDXWGQISRJF-JTQLQIEISA-N 1 2 257.297 1.301 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCOCC1)[NH+]1CCSCC1 ZINC000329396839 289231264 /nfs/dbraw/zinc/23/12/64/289231264.db2.gz URKXQQTZMSZNED-LLVKDONJSA-N 1 2 283.397 1.453 20 30 CDEDLO N#Cc1cc(C(=O)Nc2cc[nH+]cc2O)ccc1Cl ZINC000540886608 289463890 /nfs/dbraw/zinc/46/38/90/289463890.db2.gz RHQSNFDFSPEBNS-UHFFFAOYSA-N 1 2 273.679 1.986 20 30 CDEDLO O=C(N[C@H]1CCCOCC1)N1CCn2cc[nH+]c2C1 ZINC000329442151 295386472 /nfs/dbraw/zinc/38/64/72/295386472.db2.gz KIFCELALDQZCJN-NSHDSACASA-N 1 2 264.329 1.182 20 30 CDEDLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489278007 300214419 /nfs/dbraw/zinc/21/44/19/300214419.db2.gz NDXVOMDOVIBTFZ-JTQLQIEISA-N 1 2 297.355 1.022 20 30 CDEDLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489278007 300214422 /nfs/dbraw/zinc/21/44/22/300214422.db2.gz NDXVOMDOVIBTFZ-JTQLQIEISA-N 1 2 297.355 1.022 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)CC(C)(C)O1 ZINC000346825386 300239460 /nfs/dbraw/zinc/23/94/60/300239460.db2.gz MPSOFNCEMYZUHZ-NSHDSACASA-N 1 2 265.357 1.048 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)CC(C)(C)O1 ZINC000346825386 300239465 /nfs/dbraw/zinc/23/94/65/300239465.db2.gz MPSOFNCEMYZUHZ-NSHDSACASA-N 1 2 265.357 1.048 20 30 CDEDLO N#CC1CC[NH+](CC(=O)NC(=O)NC2CCCCC2)CC1 ZINC000057907940 303147824 /nfs/dbraw/zinc/14/78/24/303147824.db2.gz OBTDFMNDXXOELF-UHFFFAOYSA-N 1 2 292.383 1.380 20 30 CDEDLO COc1cc[nH+]c(CN(CCC#N)CCC#N)c1OC ZINC000190980661 327871987 /nfs/dbraw/zinc/87/19/87/327871987.db2.gz QLUZXPALFFQLSY-UHFFFAOYSA-N 1 2 274.324 1.728 20 30 CDEDLO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000577290025 317303459 /nfs/dbraw/zinc/30/34/59/317303459.db2.gz AMOWPCQMDZOQAW-CQSZACIVSA-N 1 2 293.392 1.352 20 30 CDEDLO CS(=O)(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000577290025 317303462 /nfs/dbraw/zinc/30/34/62/317303462.db2.gz AMOWPCQMDZOQAW-CQSZACIVSA-N 1 2 293.392 1.352 20 30 CDEDLO Cc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)nc1 ZINC000154770837 328137604 /nfs/dbraw/zinc/13/76/04/328137604.db2.gz RACZZKGIHZQKBE-UHFFFAOYSA-N 1 2 288.395 1.438 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)COc1ccc(F)cc1 ZINC000268271721 328183633 /nfs/dbraw/zinc/18/36/33/328183633.db2.gz CJOMKTIEPUCAEU-AAEUAGOBSA-N 1 2 266.316 1.799 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)COc1ccc(F)cc1 ZINC000268271721 328183634 /nfs/dbraw/zinc/18/36/34/328183634.db2.gz CJOMKTIEPUCAEU-AAEUAGOBSA-N 1 2 266.316 1.799 20 30 CDEDLO Cc1ccn2cc(CNC(=O)CCCC#N)[nH+]c2c1 ZINC000292451071 328270415 /nfs/dbraw/zinc/27/04/15/328270415.db2.gz WUVVUTRYYRRQET-UHFFFAOYSA-N 1 2 256.309 1.953 20 30 CDEDLO CC(C)[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)c1[nH]cc[nH+]1 ZINC000296001157 328288569 /nfs/dbraw/zinc/28/85/69/328288569.db2.gz MAIWRPPXMZSGPS-QWRGUYRKSA-N 1 2 299.400 1.033 20 30 CDEDLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000579834984 324295585 /nfs/dbraw/zinc/29/55/85/324295585.db2.gz OZNGVRSZALXPDB-GFCCVEGCSA-N 1 2 292.346 1.979 20 30 CDEDLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000579834984 324295589 /nfs/dbraw/zinc/29/55/89/324295589.db2.gz OZNGVRSZALXPDB-GFCCVEGCSA-N 1 2 292.346 1.979 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)NC[C@@H]1CCCCO1 ZINC000330712825 328469427 /nfs/dbraw/zinc/46/94/27/328469427.db2.gz WDCNMDUNQQBMEA-NSHDSACASA-N 1 2 266.345 1.335 20 30 CDEDLO Cc1nc(C[N@@H+](C)C[C@@H](C)NC(=O)C#CC2CC2)cs1 ZINC001754311080 1159105396 /nfs/dbraw/zinc/10/53/96/1159105396.db2.gz MTTKSNKBCUGWHQ-LLVKDONJSA-N 1 2 291.420 1.801 20 30 CDEDLO Cc1nc(C[N@H+](C)C[C@@H](C)NC(=O)C#CC2CC2)cs1 ZINC001754311080 1159105400 /nfs/dbraw/zinc/10/54/00/1159105400.db2.gz MTTKSNKBCUGWHQ-LLVKDONJSA-N 1 2 291.420 1.801 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)NCCc1c[nH+]cn1C ZINC000527364318 328670776 /nfs/dbraw/zinc/67/07/76/328670776.db2.gz PQUJEGVJUMASRW-CQSZACIVSA-N 1 2 265.357 1.308 20 30 CDEDLO C#CC[NH+](CC#C)Cc1ccc(Br)cn1 ZINC000174051861 329156843 /nfs/dbraw/zinc/15/68/43/329156843.db2.gz SUBVSTPNRGNVTJ-UHFFFAOYSA-N 1 2 263.138 1.913 20 30 CDEDLO N#CCc1ccnc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000583086874 329307723 /nfs/dbraw/zinc/30/77/23/329307723.db2.gz YLRVCZBUXBIZGP-GFCCVEGCSA-N 1 2 281.319 1.545 20 30 CDEDLO C=C(C)C[N@@H+](C)Cc1cn(C)nc1C(=O)OCC ZINC000186402597 329341823 /nfs/dbraw/zinc/34/18/23/329341823.db2.gz CJGOGZUEHMGOGQ-UHFFFAOYSA-N 1 2 251.330 1.605 20 30 CDEDLO C=C(C)C[N@H+](C)Cc1cn(C)nc1C(=O)OCC ZINC000186402597 329341825 /nfs/dbraw/zinc/34/18/25/329341825.db2.gz CJGOGZUEHMGOGQ-UHFFFAOYSA-N 1 2 251.330 1.605 20 30 CDEDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)s1 ZINC000571941815 329932389 /nfs/dbraw/zinc/93/23/89/329932389.db2.gz KVFXUABENGQHEZ-RKDXNWHRSA-N 1 2 293.396 1.448 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000119317395 330372739 /nfs/dbraw/zinc/37/27/39/330372739.db2.gz CIWKARZIMAUPOM-UHFFFAOYSA-N 1 2 279.290 1.748 20 30 CDEDLO C=CCN(C)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000154201025 330653935 /nfs/dbraw/zinc/65/39/35/330653935.db2.gz HDKDECNIUDTPKW-UHFFFAOYSA-N 1 2 274.364 1.777 20 30 CDEDLO C=CCCC(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442853448 330787176 /nfs/dbraw/zinc/78/71/76/330787176.db2.gz ZTEKDJJGOXPLIB-INIZCTEOSA-N 1 2 296.411 1.875 20 30 CDEDLO C=C(C)CS(=O)(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000451935675 331047684 /nfs/dbraw/zinc/04/76/84/331047684.db2.gz XKUSVVKJPOBHOK-JTQLQIEISA-N 1 2 257.359 1.460 20 30 CDEDLO Cc1[nH+]c2cc(NC(=O)[C@H](C)C#N)ccc2n1[C@H](C)CO ZINC000456711347 331199031 /nfs/dbraw/zinc/19/90/31/331199031.db2.gz LUBVUDBPYAYMTF-NXEZZACHSA-N 1 2 286.335 1.996 20 30 CDEDLO Cc1[nH+]c2cc(NC(=O)[C@@H](C)C#N)ccc2n1[C@@H](C)CO ZINC000456711350 331199060 /nfs/dbraw/zinc/19/90/60/331199060.db2.gz LUBVUDBPYAYMTF-UWVGGRQHSA-N 1 2 286.335 1.996 20 30 CDEDLO CC(C)(CC#N)CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000457987321 331238886 /nfs/dbraw/zinc/23/88/86/331238886.db2.gz AOHFTDFEVAOVDD-AWEZNQCLSA-N 1 2 293.411 1.543 20 30 CDEDLO CC(C)(CC#N)CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000457987321 331238887 /nfs/dbraw/zinc/23/88/87/331238887.db2.gz AOHFTDFEVAOVDD-AWEZNQCLSA-N 1 2 293.411 1.543 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)NCC(C)(C)CC#N)[NH+]1CCOCC1 ZINC000458336347 331249275 /nfs/dbraw/zinc/24/92/75/331249275.db2.gz LKGJVFFRPYIJSG-QWHCGFSZSA-N 1 2 296.415 1.335 20 30 CDEDLO CC(C)(CC#N)CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000458719941 331257692 /nfs/dbraw/zinc/25/76/92/331257692.db2.gz NEBHNRLYRRFXCY-UHFFFAOYSA-N 1 2 294.399 1.090 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000459066752 331268886 /nfs/dbraw/zinc/26/88/86/331268886.db2.gz VAGUXYVXJSHDOL-RYUDHWBXSA-N 1 2 280.372 1.590 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000459088812 331269925 /nfs/dbraw/zinc/26/99/25/331269925.db2.gz XVNNJWDFKZWHDT-AWEZNQCLSA-N 1 2 277.368 1.825 20 30 CDEDLO C=CCOC[C@@H]([NH2+]C1CC2(CCC2)C1)C(=O)OC ZINC000459517066 331285595 /nfs/dbraw/zinc/28/55/95/331285595.db2.gz RVPXBSMJRGNPPM-GFCCVEGCSA-N 1 2 253.342 1.653 20 30 CDEDLO CCc1ccc([C@H](C#N)NC(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC000489970636 332075213 /nfs/dbraw/zinc/07/52/13/332075213.db2.gz YYDIUUUGQUONPN-LSDHHAIUSA-N 1 2 287.363 1.260 20 30 CDEDLO CCc1ccc([C@H](C#N)NC(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000489970636 332075214 /nfs/dbraw/zinc/07/52/14/332075214.db2.gz YYDIUUUGQUONPN-LSDHHAIUSA-N 1 2 287.363 1.260 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000491275413 332178847 /nfs/dbraw/zinc/17/88/47/332178847.db2.gz DRVBMGIPJGUCHW-LBPRGKRZSA-N 1 2 270.336 1.806 20 30 CDEDLO C#C[C@H]1COCCN1C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000491372737 332199232 /nfs/dbraw/zinc/19/92/32/332199232.db2.gz KUYWRANTZRZSCD-NEPJUHHUSA-N 1 2 276.340 1.008 20 30 CDEDLO C#C[C@@H]1COCCN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000491394621 332203836 /nfs/dbraw/zinc/20/38/36/332203836.db2.gz NHQMYWKBDUQWKY-CYBMUJFWSA-N 1 2 266.304 1.040 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@H](O)COc1ccccc1C ZINC000491408779 332207070 /nfs/dbraw/zinc/20/70/70/332207070.db2.gz WTXUNLHNRMOQIK-GJZGRUSLSA-N 1 2 275.348 1.069 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](O)COc1ccccc1C ZINC000491408779 332207071 /nfs/dbraw/zinc/20/70/71/332207071.db2.gz WTXUNLHNRMOQIK-GJZGRUSLSA-N 1 2 275.348 1.069 20 30 CDEDLO C#C[C@H](CCC)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000491453875 332214892 /nfs/dbraw/zinc/21/48/92/332214892.db2.gz UGCBYSLOXAHLNI-LLVKDONJSA-N 1 2 269.308 1.194 20 30 CDEDLO C#C[C@@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)C(C)C ZINC000491675770 332281354 /nfs/dbraw/zinc/28/13/54/332281354.db2.gz XRUAYUGSYKXFTL-CYBMUJFWSA-N 1 2 281.400 1.054 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1F ZINC000491677594 332282395 /nfs/dbraw/zinc/28/23/95/332282395.db2.gz QUTALAODQRTKTP-GFCCVEGCSA-N 1 2 276.311 1.488 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1F ZINC000491677594 332282397 /nfs/dbraw/zinc/28/23/97/332282397.db2.gz QUTALAODQRTKTP-GFCCVEGCSA-N 1 2 276.311 1.488 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@H](c2ccccc2)CC1=O ZINC000491692448 332289212 /nfs/dbraw/zinc/28/92/12/332289212.db2.gz HLDGGJHNBWJUSW-UKRRQHHQSA-N 1 2 256.349 1.914 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@H](c2ccccc2)CC1=O ZINC000491692448 332289213 /nfs/dbraw/zinc/28/92/13/332289213.db2.gz HLDGGJHNBWJUSW-UKRRQHHQSA-N 1 2 256.349 1.914 20 30 CDEDLO C#CCN(C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000491694924 332290976 /nfs/dbraw/zinc/29/09/76/332290976.db2.gz NRTMNPJYDPAGIE-UHFFFAOYSA-N 1 2 268.320 1.647 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)NCCCNc1cccc[nH+]1 ZINC000491699030 332293898 /nfs/dbraw/zinc/29/38/98/332293898.db2.gz RKVAQQBXAPLHKY-ZDUSSCGKSA-N 1 2 274.368 1.985 20 30 CDEDLO C#C[C@@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C(C)(C)C ZINC000491717259 332306936 /nfs/dbraw/zinc/30/69/36/332306936.db2.gz PUHMUGNMAKAHGK-ZYHUDNBSSA-N 1 2 259.353 1.994 20 30 CDEDLO C#C[C@@H](NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21)C(C)(C)C ZINC000491717259 332306938 /nfs/dbraw/zinc/30/69/38/332306938.db2.gz PUHMUGNMAKAHGK-ZYHUDNBSSA-N 1 2 259.353 1.994 20 30 CDEDLO C#C[C@@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC000491733651 332314559 /nfs/dbraw/zinc/31/45/59/332314559.db2.gz RGBCZCXICVQSDG-LSDHHAIUSA-N 1 2 292.423 1.794 20 30 CDEDLO C#C[C@@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C(C)(C)C ZINC000491733651 332314560 /nfs/dbraw/zinc/31/45/60/332314560.db2.gz RGBCZCXICVQSDG-LSDHHAIUSA-N 1 2 292.423 1.794 20 30 CDEDLO C#C[C@@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC000491733645 332314638 /nfs/dbraw/zinc/31/46/38/332314638.db2.gz RGBCZCXICVQSDG-HUUCEWRRSA-N 1 2 292.423 1.794 20 30 CDEDLO C#C[C@@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C(C)(C)C ZINC000491733645 332314640 /nfs/dbraw/zinc/31/46/40/332314640.db2.gz RGBCZCXICVQSDG-HUUCEWRRSA-N 1 2 292.423 1.794 20 30 CDEDLO C#CCN(C)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000491763516 332332501 /nfs/dbraw/zinc/33/25/01/332332501.db2.gz AZTIRUJCUAGGPD-UHFFFAOYSA-N 1 2 274.246 1.220 20 30 CDEDLO C#C[C@H](CC)NC(=O)NCCCNc1cccc[nH+]1 ZINC000491769328 332336626 /nfs/dbraw/zinc/33/66/26/332336626.db2.gz MUDQYWHVJMZNEW-GFCCVEGCSA-N 1 2 260.341 1.595 20 30 CDEDLO C#C[C@H](CCC)NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000491786395 332349214 /nfs/dbraw/zinc/34/92/14/332349214.db2.gz UOIQZJNZOIOMIF-MGPQQGTHSA-N 1 2 281.400 1.197 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1cc(OC)cc(OC)c1)C1CC1 ZINC000491803931 332357862 /nfs/dbraw/zinc/35/78/62/332357862.db2.gz KQSYYBCFPJBLSQ-UHFFFAOYSA-N 1 2 288.347 1.740 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1cc(OC)cc(OC)c1)C1CC1 ZINC000491803931 332357864 /nfs/dbraw/zinc/35/78/64/332357864.db2.gz KQSYYBCFPJBLSQ-UHFFFAOYSA-N 1 2 288.347 1.740 20 30 CDEDLO COC[C@@H](C)OC[C@@H](O)C[N@H+](CC#N)C1CCCC1 ZINC000234748779 333362076 /nfs/dbraw/zinc/36/20/76/333362076.db2.gz ILQCHXXPCVJIFF-OCCSQVGLSA-N 1 2 270.373 1.167 20 30 CDEDLO COC[C@@H](C)OC[C@@H](O)C[N@@H+](CC#N)C1CCCC1 ZINC000234748779 333362077 /nfs/dbraw/zinc/36/20/77/333362077.db2.gz ILQCHXXPCVJIFF-OCCSQVGLSA-N 1 2 270.373 1.167 20 30 CDEDLO C=CCOCC[N@H+]1CCSC[C@H]1C(=O)OCC ZINC000549366141 334191269 /nfs/dbraw/zinc/19/12/69/334191269.db2.gz FXMRDFFFXFFSKQ-NSHDSACASA-N 1 2 259.371 1.170 20 30 CDEDLO C=CCOCC[N@@H+]1CCSC[C@H]1C(=O)OCC ZINC000549366141 334191270 /nfs/dbraw/zinc/19/12/70/334191270.db2.gz FXMRDFFFXFFSKQ-NSHDSACASA-N 1 2 259.371 1.170 20 30 CDEDLO COC(=O)[C@@H]([NH2+]CCOCCC#N)C1CCCCC1 ZINC000549545589 334197228 /nfs/dbraw/zinc/19/72/28/334197228.db2.gz QEOKCIJABGYPLT-ZDUSSCGKSA-N 1 2 268.357 1.628 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCCCCn1cc[nH+]c1 ZINC000565392271 334558874 /nfs/dbraw/zinc/55/88/74/334558874.db2.gz FDUAAAVKYHKOSJ-CYBMUJFWSA-N 1 2 251.330 1.107 20 30 CDEDLO C=C(C)COCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000565423657 334562281 /nfs/dbraw/zinc/56/22/81/334562281.db2.gz LMHYRNOMIBUXQU-LBPRGKRZSA-N 1 2 263.341 1.154 20 30 CDEDLO CC[C@@H](C#N)NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000576765447 335245552 /nfs/dbraw/zinc/24/55/52/335245552.db2.gz OEWILNMBMMVGKO-DTWKUNHWSA-N 1 2 288.273 1.874 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CCOc2ccccc21 ZINC000580896519 335981434 /nfs/dbraw/zinc/98/14/34/335981434.db2.gz XVWHJYIOTIHHLG-XJKSGUPXSA-N 1 2 287.363 1.513 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1OCCc2ccccc21 ZINC000581827468 336148449 /nfs/dbraw/zinc/14/84/49/336148449.db2.gz SHBJXCMZQCFFEJ-ZBFHGGJFSA-N 1 2 287.363 1.260 20 30 CDEDLO C#CCCCC(=O)NCC[NH2+]Cc1nc(C2CCC2)no1 ZINC001126343615 1159908928 /nfs/dbraw/zinc/90/89/28/1159908928.db2.gz CDTQRXMZQSQLLS-UHFFFAOYSA-N 1 2 290.367 1.346 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N(C)CC[N@H+](C)CC(=O)NC(C)C ZINC001753861993 1159931006 /nfs/dbraw/zinc/93/10/06/1159931006.db2.gz XUXITUQOXUHUBW-MRXNPFEDSA-N 1 2 297.443 1.504 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N(C)CC[N@@H+](C)CC(=O)NC(C)C ZINC001753861993 1159931010 /nfs/dbraw/zinc/93/10/10/1159931010.db2.gz XUXITUQOXUHUBW-MRXNPFEDSA-N 1 2 297.443 1.504 20 30 CDEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000680636839 482540072 /nfs/dbraw/zinc/54/00/72/482540072.db2.gz UNUBPEUYADRLIX-AWEZNQCLSA-N 1 2 271.364 1.641 20 30 CDEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000677479400 482682439 /nfs/dbraw/zinc/68/24/39/482682439.db2.gz OJQIUGOTEKURQV-CQSZACIVSA-N 1 2 286.375 1.952 20 30 CDEDLO C=CCCOCCNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000677483610 482686083 /nfs/dbraw/zinc/68/60/83/482686083.db2.gz TXLYDHKHJLBHGX-AWEZNQCLSA-N 1 2 292.383 1.822 20 30 CDEDLO C=C[C@@](C)(O)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000667113002 483094778 /nfs/dbraw/zinc/09/47/78/483094778.db2.gz ZOISDGLDNPBPSC-MRXNPFEDSA-N 1 2 290.363 1.394 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001108088260 1161494814 /nfs/dbraw/zinc/49/48/14/1161494814.db2.gz VYMGBVJVZCIOCH-HYVNUMGLSA-N 1 2 290.407 1.407 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cccnc1 ZINC001716468316 1180227122 /nfs/dbraw/zinc/22/71/22/1180227122.db2.gz QBEGWLHSPDUIGP-NSHDSACASA-N 1 2 267.760 1.884 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cccnc1 ZINC001716468316 1180227125 /nfs/dbraw/zinc/22/71/25/1180227125.db2.gz QBEGWLHSPDUIGP-NSHDSACASA-N 1 2 267.760 1.884 20 30 CDEDLO C[C@@H](CNC(=O)CNc1cccc(C#N)c1)Cn1cc[nH+]c1 ZINC000161606287 533898066 /nfs/dbraw/zinc/89/80/66/533898066.db2.gz XEHUZGPNJXHRIQ-ZDUSSCGKSA-N 1 2 297.362 1.619 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Nc2ccc(CC#N)c(OC)c2)C[NH2+]1 ZINC001169131303 1161998842 /nfs/dbraw/zinc/99/88/42/1161998842.db2.gz YJTBETJQHRHUFP-OLZOCXBDSA-N 1 2 289.335 1.077 20 30 CDEDLO CCN(c1ncc([N+](=O)[O-])cc1C#N)C1C[NH+](C)C1 ZINC001157455457 1162092901 /nfs/dbraw/zinc/09/29/01/1162092901.db2.gz KNIQNCSHRQOVPJ-UHFFFAOYSA-N 1 2 261.285 1.002 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001113218179 1162130847 /nfs/dbraw/zinc/13/08/47/1162130847.db2.gz VMXABSDUKYNOHE-GJZGRUSLSA-N 1 2 290.411 1.486 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@H](COC)c1ccc(C)o1 ZINC000184689304 518281161 /nfs/dbraw/zinc/28/11/61/518281161.db2.gz PTSGGKIPXFXWQW-VXGBXAGGSA-N 1 2 264.325 1.003 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccoc1C ZINC000055057799 518909139 /nfs/dbraw/zinc/90/91/39/518909139.db2.gz YRXPLIHNJCAHFH-SNVBAGLBSA-N 1 2 279.340 1.420 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccoc1C ZINC000055057798 518908421 /nfs/dbraw/zinc/90/84/21/518908421.db2.gz YRXPLIHNJCAHFH-JTQLQIEISA-N 1 2 279.340 1.420 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccoc1C ZINC000055057798 518908426 /nfs/dbraw/zinc/90/84/26/518908426.db2.gz YRXPLIHNJCAHFH-JTQLQIEISA-N 1 2 279.340 1.420 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccoc1C ZINC000055057799 518909134 /nfs/dbraw/zinc/90/91/34/518909134.db2.gz YRXPLIHNJCAHFH-SNVBAGLBSA-N 1 2 279.340 1.420 20 30 CDEDLO CNC(=O)[C@@H]1CCC[C@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC000329032296 526405759 /nfs/dbraw/zinc/40/57/59/526405759.db2.gz PZAUUJGFIATOSY-ZWNOBZJWSA-N 1 2 289.383 1.631 20 30 CDEDLO CNC(=O)[C@@H]1CCC[C@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000329032296 526405762 /nfs/dbraw/zinc/40/57/62/526405762.db2.gz PZAUUJGFIATOSY-ZWNOBZJWSA-N 1 2 289.383 1.631 20 30 CDEDLO C=C(C)C[N@H+](CC(=O)N1CCCC1)Cc1ccc(CO)o1 ZINC000352793394 526510527 /nfs/dbraw/zinc/51/05/27/526510527.db2.gz PEEQLKDUABIBKG-UHFFFAOYSA-N 1 2 292.379 1.772 20 30 CDEDLO C=C(C)C[N@@H+](CC(=O)N1CCCC1)Cc1ccc(CO)o1 ZINC000352793394 526510530 /nfs/dbraw/zinc/51/05/30/526510530.db2.gz PEEQLKDUABIBKG-UHFFFAOYSA-N 1 2 292.379 1.772 20 30 CDEDLO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1csc(CC)n1 ZINC000111377085 527029382 /nfs/dbraw/zinc/02/93/82/527029382.db2.gz UWJVIKAJSIAJIZ-UWVGGRQHSA-N 1 2 265.382 1.494 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352468226 527935511 /nfs/dbraw/zinc/93/55/11/527935511.db2.gz PSWUAXIFSYTZSK-JSGCOSHPSA-N 1 2 294.374 1.757 20 30 CDEDLO CCN(c1cc[nH+]cc1)S(=O)(=O)CC1(CC#N)CC1 ZINC000332164102 528939403 /nfs/dbraw/zinc/93/94/03/528939403.db2.gz RTAKPBKMTUSDRN-UHFFFAOYSA-N 1 2 279.365 1.932 20 30 CDEDLO CC[C@@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CCCO1 ZINC000329256601 529345643 /nfs/dbraw/zinc/34/56/43/529345643.db2.gz DRAIOMGYSDUHFX-ZIAGYGMSSA-N 1 2 299.415 1.122 20 30 CDEDLO C#CCNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000740448961 574626148 /nfs/dbraw/zinc/62/61/48/574626148.db2.gz JGHQYUJHGZYVOT-UHFFFAOYSA-N 1 2 284.319 1.717 20 30 CDEDLO CC(C)Cc1nc(C#N)c(N=NCc2[nH]cc[nH+]2)o1 ZINC000731153380 575035866 /nfs/dbraw/zinc/03/58/66/575035866.db2.gz JCQPLSPJSPJZSP-UHFFFAOYSA-N 1 2 258.285 1.914 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C(N)=O)ccc1C ZINC000732063931 575077476 /nfs/dbraw/zinc/07/74/76/575077476.db2.gz OWNUBEBNTBFVQH-AWEZNQCLSA-N 1 2 285.347 1.130 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C(N)=O)ccc1C ZINC000732063931 575077477 /nfs/dbraw/zinc/07/74/77/575077477.db2.gz OWNUBEBNTBFVQH-AWEZNQCLSA-N 1 2 285.347 1.130 20 30 CDEDLO CCOc1ccc(/C=[NH+]\Cc2nnnn2C2CC2)c(O)c1 ZINC000743044698 576625605 /nfs/dbraw/zinc/62/56/05/576625605.db2.gz OXZPDNKSTOLYFZ-NVNXTCNLSA-N 1 2 287.323 1.731 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(CC)c(C)c2)CC1 ZINC000769566059 575360387 /nfs/dbraw/zinc/36/03/87/575360387.db2.gz CGXSBIROIOCVDE-UHFFFAOYSA-N 1 2 299.418 1.747 20 30 CDEDLO Cc1ccc(F)c(C[N@H+](C)CC(=O)NCCC#N)c1 ZINC000769909093 575396804 /nfs/dbraw/zinc/39/68/04/575396804.db2.gz NZLJSDDBSYLFNQ-UHFFFAOYSA-N 1 2 263.316 1.596 20 30 CDEDLO Cc1ccc(F)c(C[N@@H+](C)CC(=O)NCCC#N)c1 ZINC000769909093 575396805 /nfs/dbraw/zinc/39/68/05/575396805.db2.gz NZLJSDDBSYLFNQ-UHFFFAOYSA-N 1 2 263.316 1.596 20 30 CDEDLO Cc1[nH+]cc(C=NN2C(=O)CNC2=O)n1-c1ccccc1 ZINC000770616406 575474364 /nfs/dbraw/zinc/47/43/64/575474364.db2.gz NTNVIYAZOYGVBY-UHFFFAOYSA-N 1 2 283.291 1.066 20 30 CDEDLO N#Cc1ccc(OCC(=O)OCCn2cc[nH+]c2)cc1 ZINC000771856556 575628945 /nfs/dbraw/zinc/62/89/45/575628945.db2.gz CXCUDAOPGSVTAC-UHFFFAOYSA-N 1 2 271.276 1.377 20 30 CDEDLO O=C(C#Cc1ccccc1)NCC1([NH+]2CCOCC2)CC1 ZINC000765122489 575988819 /nfs/dbraw/zinc/98/88/19/575988819.db2.gz MALZJELBJHOABS-UHFFFAOYSA-N 1 2 284.359 1.019 20 30 CDEDLO N#Cc1ncn(Cc2ccc(-n3cc[nH+]c3)nc2)c1C#N ZINC000766369963 576097784 /nfs/dbraw/zinc/09/77/84/576097784.db2.gz STURLPTYODFYQF-UHFFFAOYSA-N 1 2 275.275 1.255 20 30 CDEDLO C#C[C@H](C)N(C)c1nc(N(C)[C@@H](C)C#C)c(C)c[nH+]1 ZINC000767439557 576193627 /nfs/dbraw/zinc/19/36/27/576193627.db2.gz JUFHMXSXTSNYPJ-STQMWFEESA-N 1 2 256.353 1.701 20 30 CDEDLO Cc1c[nH+]ccc1NC(=O)NCCNc1ccc(C#N)cn1 ZINC000767909484 576238104 /nfs/dbraw/zinc/23/81/04/576238104.db2.gz HFSJJBAQDSWHMN-UHFFFAOYSA-N 1 2 296.334 1.312 20 30 CDEDLO C=CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741385508 576555056 /nfs/dbraw/zinc/55/50/56/576555056.db2.gz RMMOQQXKCVMOJU-CQSZACIVSA-N 1 2 261.321 1.617 20 30 CDEDLO C=CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741385508 576555059 /nfs/dbraw/zinc/55/50/59/576555059.db2.gz RMMOQQXKCVMOJU-CQSZACIVSA-N 1 2 261.321 1.617 20 30 CDEDLO C[S@](=O)CC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000741749901 576570920 /nfs/dbraw/zinc/57/09/20/576570920.db2.gz TXZIAOYXKIWLFQ-FQEVSTJZSA-N 1 2 295.383 1.198 20 30 CDEDLO CO[C@@H](C)C(C)N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761840161 576596786 /nfs/dbraw/zinc/59/67/86/576596786.db2.gz YSBSBGYMWXWNBI-JTQLQIEISA-N 1 2 260.301 1.485 20 30 CDEDLO c1c[nH]c(CN=Nc2ccc(-n3cc[nH+]c3)nn2)c1 ZINC000761855907 576598201 /nfs/dbraw/zinc/59/82/01/576598201.db2.gz URKQBJYSVWRGSY-UHFFFAOYSA-N 1 2 253.269 1.436 20 30 CDEDLO Cc1ccc(N2CC[C@@H]([NH2+][C@@H](C)CC#N)C2=O)cc1 ZINC000743479377 576641702 /nfs/dbraw/zinc/64/17/02/576641702.db2.gz JNQOBKSUZQXLLB-GXTWGEPZSA-N 1 2 257.337 1.992 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2cn3ccc(C)cc3n2)CC1 ZINC000744422964 576679972 /nfs/dbraw/zinc/67/99/72/576679972.db2.gz LODCHUYRNGMYFA-UHFFFAOYSA-N 1 2 282.347 1.034 20 30 CDEDLO CC#CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000745111836 576716552 /nfs/dbraw/zinc/71/65/52/576716552.db2.gz QSECMKNVVKJAJD-HNNXBMFYSA-N 1 2 273.332 1.454 20 30 CDEDLO CC#CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000745111836 576716555 /nfs/dbraw/zinc/71/65/55/576716555.db2.gz QSECMKNVVKJAJD-HNNXBMFYSA-N 1 2 273.332 1.454 20 30 CDEDLO C#CC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000753911422 576865819 /nfs/dbraw/zinc/86/58/19/576865819.db2.gz NHPROFKWILVKEL-UHFFFAOYSA-N 1 2 296.292 1.983 20 30 CDEDLO Oc1c(F)cc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)cc1F ZINC000753931252 576866746 /nfs/dbraw/zinc/86/67/46/576866746.db2.gz YADWTHWEDZVVMM-VXGBXAGGSA-N 1 2 294.305 1.864 20 30 CDEDLO CCC(N=NC1=[NH+][C@@H]2CCCC[C@H]2N1)[C@H]1CCOC1 ZINC000753939861 576867747 /nfs/dbraw/zinc/86/77/47/576867747.db2.gz RSLYVZRZKLQZQP-CYZMBNFOSA-N 1 2 264.373 1.649 20 30 CDEDLO COC[C@@]1(C)CC(=O)N(C[NH+]2CCC(C#N)CC2)C1 ZINC000747454849 576871202 /nfs/dbraw/zinc/87/12/02/576871202.db2.gz UUTXFUQNJXLSIH-AWEZNQCLSA-N 1 2 265.357 1.064 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000747669953 576880107 /nfs/dbraw/zinc/88/01/07/576880107.db2.gz KEZDAUHYNOENLY-SNVBAGLBSA-N 1 2 266.794 1.000 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000747669953 576880108 /nfs/dbraw/zinc/88/01/08/576880108.db2.gz KEZDAUHYNOENLY-SNVBAGLBSA-N 1 2 266.794 1.000 20 30 CDEDLO C#CCOc1ccc(C(=O)OCC[NH+]2CCOCC2)cc1 ZINC000747707526 576881957 /nfs/dbraw/zinc/88/19/57/576881957.db2.gz BAUNEFRSVPXVFZ-UHFFFAOYSA-N 1 2 289.331 1.188 20 30 CDEDLO COC(=O)c1cccc(C[N@@H+]2CCOC[C@@H](C)C2)c1C#N ZINC000756623342 576997697 /nfs/dbraw/zinc/99/76/97/576997697.db2.gz XIAJLVCUCSRNNK-LBPRGKRZSA-N 1 2 288.347 1.813 20 30 CDEDLO COC(=O)c1cccc(C[N@H+]2CCOC[C@@H](C)C2)c1C#N ZINC000756623342 576997698 /nfs/dbraw/zinc/99/76/98/576997698.db2.gz XIAJLVCUCSRNNK-LBPRGKRZSA-N 1 2 288.347 1.813 20 30 CDEDLO CC(C)CN(CCC#N)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000750856544 577010625 /nfs/dbraw/zinc/01/06/25/577010625.db2.gz MNUHYMYKDWRCIG-ZDUSSCGKSA-N 1 2 274.368 1.844 20 30 CDEDLO C=C[C@@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000756973949 577018038 /nfs/dbraw/zinc/01/80/38/577018038.db2.gz HFFSSNMLLRXEMF-LLVKDONJSA-N 1 2 271.324 1.641 20 30 CDEDLO CCOc1cccc(/C=N/CC[N@@H+]2CCO[C@H](C)C2)c1O ZINC000750950021 577018426 /nfs/dbraw/zinc/01/84/26/577018426.db2.gz MKBNHKXWAMUMFU-VVBXCHJUSA-N 1 2 292.379 1.931 20 30 CDEDLO CCOc1cccc(/C=N/CC[N@H+]2CCO[C@H](C)C2)c1O ZINC000750950021 577018427 /nfs/dbraw/zinc/01/84/27/577018427.db2.gz MKBNHKXWAMUMFU-VVBXCHJUSA-N 1 2 292.379 1.931 20 30 CDEDLO CC(C)CO[C@@H]1CC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758235552 577087158 /nfs/dbraw/zinc/08/71/58/577087158.db2.gz IMIIEASSAASPQY-CQSZACIVSA-N 1 2 275.352 1.424 20 30 CDEDLO CC(C)CO[C@@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758235552 577087161 /nfs/dbraw/zinc/08/71/61/577087161.db2.gz IMIIEASSAASPQY-CQSZACIVSA-N 1 2 275.352 1.424 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1sccc1C#N)C(C)C ZINC000932390795 617237590 /nfs/dbraw/zinc/23/75/90/617237590.db2.gz QJGHTHYHIPCHHW-UHFFFAOYSA-N 1 2 261.350 1.902 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1sccc1C#N)C(C)C ZINC000932390795 617237592 /nfs/dbraw/zinc/23/75/92/617237592.db2.gz QJGHTHYHIPCHHW-UHFFFAOYSA-N 1 2 261.350 1.902 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000890654340 617251954 /nfs/dbraw/zinc/25/19/54/617251954.db2.gz BYYOYNXKAVYVIK-OAGGEKHMSA-N 1 2 292.423 1.890 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000890654340 617251957 /nfs/dbraw/zinc/25/19/57/617251957.db2.gz BYYOYNXKAVYVIK-OAGGEKHMSA-N 1 2 292.423 1.890 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc3ncccc3o2)C1 ZINC000950901531 612992008 /nfs/dbraw/zinc/99/20/08/612992008.db2.gz DYYAPFPBKRCFKI-UHFFFAOYSA-N 1 2 297.358 1.997 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccnn2CCC)C1 ZINC000950429545 612992601 /nfs/dbraw/zinc/99/26/01/612992601.db2.gz QKYZZHDJBZEKNR-UHFFFAOYSA-N 1 2 288.395 1.463 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ocnc2C(F)F)C1 ZINC000951760481 612993145 /nfs/dbraw/zinc/99/31/45/612993145.db2.gz HAUQBTMJXBLIBQ-UHFFFAOYSA-N 1 2 297.305 1.782 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cnoc2C2CC2)CC1 ZINC000957038724 613011265 /nfs/dbraw/zinc/01/12/65/613011265.db2.gz HELABPDBFFUFNE-UHFFFAOYSA-N 1 2 273.336 1.333 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cccnc3)CC2)C1 ZINC000949278339 613210574 /nfs/dbraw/zinc/21/05/74/613210574.db2.gz BAGFZCIXDXITCX-UHFFFAOYSA-N 1 2 299.374 1.022 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cccnc3)CC2)C1 ZINC000949278339 613210575 /nfs/dbraw/zinc/21/05/75/613210575.db2.gz BAGFZCIXDXITCX-UHFFFAOYSA-N 1 2 299.374 1.022 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(CC)CCC3)C2)C1 ZINC000972501510 613212471 /nfs/dbraw/zinc/21/24/71/613212471.db2.gz DTBBMHGYUZDPFT-QGZVFWFLSA-N 1 2 290.407 1.503 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(CC)CCC3)C2)C1 ZINC000972501510 613212473 /nfs/dbraw/zinc/21/24/73/613212473.db2.gz DTBBMHGYUZDPFT-QGZVFWFLSA-N 1 2 290.407 1.503 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(C)ncn2)C1 ZINC000949905566 613296036 /nfs/dbraw/zinc/29/60/36/613296036.db2.gz JUGBZMKKNYNAEE-UHFFFAOYSA-N 1 2 274.368 1.507 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2snnc2CC)C(C)(C)C1 ZINC000974793145 613301890 /nfs/dbraw/zinc/30/18/90/613301890.db2.gz UFFSOXUKOUDNPL-NSHDSACASA-N 1 2 292.408 1.174 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2snnc2CC)C(C)(C)C1 ZINC000974793145 613301892 /nfs/dbraw/zinc/30/18/92/613301892.db2.gz UFFSOXUKOUDNPL-NSHDSACASA-N 1 2 292.408 1.174 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(C3CC3)n(C)n2)CC1 ZINC000948645460 613319863 /nfs/dbraw/zinc/31/98/63/613319863.db2.gz MTFBXHUWLJSYLV-UHFFFAOYSA-N 1 2 288.395 1.631 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2[nH]cnc2CC)C1 ZINC000970806517 613371778 /nfs/dbraw/zinc/37/17/78/613371778.db2.gz NIMJCKXMJBHCPW-SNVBAGLBSA-N 1 2 296.802 1.775 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2[nH]nnc2C)C1 ZINC000967700098 613375569 /nfs/dbraw/zinc/37/55/69/613375569.db2.gz FUQUOKMLRRMKOB-KCJUWKMLSA-N 1 2 297.790 1.306 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2[nH]nnc2C)C1 ZINC000967700098 613375570 /nfs/dbraw/zinc/37/55/70/613375570.db2.gz FUQUOKMLRRMKOB-KCJUWKMLSA-N 1 2 297.790 1.306 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2nnc[nH]2)C[C@H]1C ZINC000947907277 613376445 /nfs/dbraw/zinc/37/64/45/613376445.db2.gz GAAODBCRXKNTEU-GHMZBOCLSA-N 1 2 297.790 1.069 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2nnc[nH]2)C[C@H]1C ZINC000947907277 613376446 /nfs/dbraw/zinc/37/64/46/613376446.db2.gz GAAODBCRXKNTEU-GHMZBOCLSA-N 1 2 297.790 1.069 20 30 CDEDLO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000968752599 613385307 /nfs/dbraw/zinc/38/53/07/613385307.db2.gz PYGVJCBMMLISFU-SFYZADRCSA-N 1 2 288.672 1.830 20 30 CDEDLO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000968752599 613385308 /nfs/dbraw/zinc/38/53/08/613385308.db2.gz PYGVJCBMMLISFU-SFYZADRCSA-N 1 2 288.672 1.830 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H]2CC(C)(C)CO2)CC1 ZINC000949258232 613563253 /nfs/dbraw/zinc/56/32/53/613563253.db2.gz WADOCKISTKNZEA-AWEZNQCLSA-N 1 2 278.396 1.359 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933326092 617392326 /nfs/dbraw/zinc/39/23/26/617392326.db2.gz GBCWZYRKYUBETF-LSDHHAIUSA-N 1 2 274.364 1.487 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933326092 617392327 /nfs/dbraw/zinc/39/23/27/617392327.db2.gz GBCWZYRKYUBETF-LSDHHAIUSA-N 1 2 274.364 1.487 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCCO[C@@H]2C)C1 ZINC000949963009 613655422 /nfs/dbraw/zinc/65/54/22/613655422.db2.gz ONWLCFQUSNGMMR-OCCSQVGLSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CC2CC(OCC)C2)CC1 ZINC000949803422 613707359 /nfs/dbraw/zinc/70/73/59/613707359.db2.gz AKHXSHZPTKOSLU-UHFFFAOYSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2cc(F)c(F)cc2F)CC1 ZINC000950721369 613709454 /nfs/dbraw/zinc/70/94/54/613709454.db2.gz LGSNTTYWVPCDBE-UHFFFAOYSA-N 1 2 298.308 1.977 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2cccc(OCC)n2)CC1 ZINC000949402286 613709562 /nfs/dbraw/zinc/70/95/62/613709562.db2.gz IKXQMODEEFLKCU-UHFFFAOYSA-N 1 2 289.379 1.353 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cn2ccc(C(F)F)n2)CC1 ZINC000948686487 613710073 /nfs/dbraw/zinc/71/00/73/613710073.db2.gz GXJDYFJWSDYVJZ-UHFFFAOYSA-N 1 2 284.310 1.151 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)n2cnc3ccccc32)CC1 ZINC000957052857 613712420 /nfs/dbraw/zinc/71/24/20/613712420.db2.gz RPRMMRGALZQWQZ-AWEZNQCLSA-N 1 2 298.390 1.928 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCc3nn(C)cc32)CC1 ZINC000949872066 613712955 /nfs/dbraw/zinc/71/29/55/613712955.db2.gz JGXNAHDGZVYMHQ-ZDUSSCGKSA-N 1 2 288.395 1.170 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2c(C)n(C)nc2Cl)CC1 ZINC000957487179 613713841 /nfs/dbraw/zinc/71/38/41/613713841.db2.gz ACQNEPAGRMJYPO-UHFFFAOYSA-N 1 2 282.775 1.326 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)n(C(F)F)n2)CC1 ZINC000948552067 613714571 /nfs/dbraw/zinc/71/45/71/613714571.db2.gz BFOHRZNLCDSNOH-UHFFFAOYSA-N 1 2 284.310 1.530 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc3ccccc3[nH]c2=O)CC1 ZINC000949560143 613715254 /nfs/dbraw/zinc/71/52/54/613715254.db2.gz GKHSSFBPBPBUBL-UHFFFAOYSA-N 1 2 297.358 1.884 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC(F)(F)F)C2)C1 ZINC000972282131 613725169 /nfs/dbraw/zinc/72/51/69/613725169.db2.gz OFKNRNCJJMMUAB-GFCCVEGCSA-N 1 2 292.301 1.428 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CC(F)(F)F)C2)C1 ZINC000972282131 613725170 /nfs/dbraw/zinc/72/51/70/613725170.db2.gz OFKNRNCJJMMUAB-GFCCVEGCSA-N 1 2 292.301 1.428 20 30 CDEDLO CC(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969170153 613955496 /nfs/dbraw/zinc/95/54/96/613955496.db2.gz IOQDKNIPQRHHBK-JTQLQIEISA-N 1 2 275.327 1.654 20 30 CDEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1csc(C#N)c1 ZINC000892180176 617532894 /nfs/dbraw/zinc/53/28/94/617532894.db2.gz ROPVEZXSBDAUFY-LLVKDONJSA-N 1 2 299.421 1.133 20 30 CDEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1csc(C#N)c1 ZINC000892180176 617532895 /nfs/dbraw/zinc/53/28/95/617532895.db2.gz ROPVEZXSBDAUFY-LLVKDONJSA-N 1 2 299.421 1.133 20 30 CDEDLO C#C[C@H]1CCCCN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000892760066 617712248 /nfs/dbraw/zinc/71/22/48/617712248.db2.gz ZHVXAZOXWCISOI-AWEZNQCLSA-N 1 2 293.411 1.295 20 30 CDEDLO C#C[C@H]1CCCCN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000892760066 617712258 /nfs/dbraw/zinc/71/22/58/617712258.db2.gz ZHVXAZOXWCISOI-AWEZNQCLSA-N 1 2 293.411 1.295 20 30 CDEDLO C=C1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000891895265 617730831 /nfs/dbraw/zinc/73/08/31/617730831.db2.gz GHMKJAQSUXSMSA-ZDUSSCGKSA-N 1 2 267.373 1.069 20 30 CDEDLO CC(C)[C@H](O)CCO[NH+]=C(N)c1ccc(F)cc1 ZINC000882948770 619618064 /nfs/dbraw/zinc/61/80/64/619618064.db2.gz KXTWEEJLCCADAP-GFCCVEGCSA-N 1 2 254.305 1.870 20 30 CDEDLO N#Cc1cnc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)s1 ZINC000896479162 620112507 /nfs/dbraw/zinc/11/25/07/620112507.db2.gz LQMDBGHJRKGNDV-MRVPVSSYSA-N 1 2 273.321 1.412 20 30 CDEDLO C=C1CCC(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000896528197 620124101 /nfs/dbraw/zinc/12/41/01/620124101.db2.gz HHZUGKKHMXJRHG-UKRRQHHQSA-N 1 2 279.428 1.483 20 30 CDEDLO C=C1CCC(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC000896528197 620124103 /nfs/dbraw/zinc/12/41/03/620124103.db2.gz HHZUGKKHMXJRHG-UKRRQHHQSA-N 1 2 279.428 1.483 20 30 CDEDLO CCn1c[nH+]c2c1CCN(c1ccnc(C#N)n1)C2 ZINC000896655269 620184970 /nfs/dbraw/zinc/18/49/70/620184970.db2.gz VBVKNDRSUBPKML-UHFFFAOYSA-N 1 2 254.297 1.127 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCCC3(C2)OCCO3)nc1 ZINC000788021132 620567269 /nfs/dbraw/zinc/56/72/69/620567269.db2.gz LIPIIBNXRGWJFO-UHFFFAOYSA-N 1 2 259.309 1.292 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCCC3(C2)OCCO3)nc1 ZINC000788021132 620567270 /nfs/dbraw/zinc/56/72/70/620567270.db2.gz LIPIIBNXRGWJFO-UHFFFAOYSA-N 1 2 259.309 1.292 20 30 CDEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCC2(CC#N)CC2)[nH]n1 ZINC000897633903 621042234 /nfs/dbraw/zinc/04/22/34/621042234.db2.gz ASZKGGMONOVDFH-ZDUSSCGKSA-N 1 2 287.367 1.600 20 30 CDEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCC2(CC#N)CC2)[nH]n1 ZINC000897633903 621042240 /nfs/dbraw/zinc/04/22/40/621042240.db2.gz ASZKGGMONOVDFH-ZDUSSCGKSA-N 1 2 287.367 1.600 20 30 CDEDLO C=C(C)CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897898258 621203795 /nfs/dbraw/zinc/20/37/95/621203795.db2.gz DCLCVVVAKARAAC-CYBMUJFWSA-N 1 2 262.357 1.872 20 30 CDEDLO C=C(C)CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897898258 621203799 /nfs/dbraw/zinc/20/37/99/621203799.db2.gz DCLCVVVAKARAAC-CYBMUJFWSA-N 1 2 262.357 1.872 20 30 CDEDLO C=C[C@](C)(O)C(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000898313259 621492243 /nfs/dbraw/zinc/49/22/43/621492243.db2.gz WKSSWYWOPIGFRH-ZDUSSCGKSA-N 1 2 283.397 1.860 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)cc1 ZINC000898505203 621770490 /nfs/dbraw/zinc/77/04/90/621770490.db2.gz WBLSCDGVVIXKQP-OAHLLOKOSA-N 1 2 274.339 1.832 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)cc1 ZINC000898505203 621770493 /nfs/dbraw/zinc/77/04/93/621770493.db2.gz WBLSCDGVVIXKQP-OAHLLOKOSA-N 1 2 274.339 1.832 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)cc1 ZINC000898505202 621771031 /nfs/dbraw/zinc/77/10/31/621771031.db2.gz WBLSCDGVVIXKQP-HNNXBMFYSA-N 1 2 274.339 1.832 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCF)C2)cc1 ZINC000898505202 621771033 /nfs/dbraw/zinc/77/10/33/621771033.db2.gz WBLSCDGVVIXKQP-HNNXBMFYSA-N 1 2 274.339 1.832 20 30 CDEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)nn1 ZINC000898503436 621779445 /nfs/dbraw/zinc/77/94/45/621779445.db2.gz LMMNJXBXJGHETJ-LBPRGKRZSA-N 1 2 295.362 1.018 20 30 CDEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+](CCF)C2)nn1 ZINC000898503436 621779449 /nfs/dbraw/zinc/77/94/49/621779449.db2.gz LMMNJXBXJGHETJ-LBPRGKRZSA-N 1 2 295.362 1.018 20 30 CDEDLO C=C1C[NH+](C[C@H](O)COc2ccc(CCC(C)=O)cc2)C1 ZINC000899900837 622517403 /nfs/dbraw/zinc/51/74/03/622517403.db2.gz WQEXITVSXRXBGT-INIZCTEOSA-N 1 2 289.375 1.820 20 30 CDEDLO C#CC[N@H+](CN1C(=O)C2(CCC2)[C@@H]1[C@@H]1CCCO1)C(C)C ZINC000905749141 626944906 /nfs/dbraw/zinc/94/49/06/626944906.db2.gz MVGBZFBWVWDYTF-GJZGRUSLSA-N 1 2 290.407 1.848 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)C2(CCC2)[C@@H]1[C@@H]1CCCO1)C(C)C ZINC000905749141 626944909 /nfs/dbraw/zinc/94/49/09/626944909.db2.gz MVGBZFBWVWDYTF-GJZGRUSLSA-N 1 2 290.407 1.848 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907221958 627568464 /nfs/dbraw/zinc/56/84/64/627568464.db2.gz ZFWWVOQRLSJBGO-ZDUSSCGKSA-N 1 2 262.353 1.921 20 30 CDEDLO C=CCNC(=O)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907236073 627573372 /nfs/dbraw/zinc/57/33/72/627573372.db2.gz LKHPPBXXJIVQSC-UHFFFAOYSA-N 1 2 261.325 1.039 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC#C[Si](C)(C)C ZINC000912330360 629911416 /nfs/dbraw/zinc/91/14/16/629911416.db2.gz MOXDVMXADPDRGW-GFCCVEGCSA-N 1 2 277.444 1.975 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC#C[Si](C)(C)C ZINC000912330360 629911418 /nfs/dbraw/zinc/91/14/18/629911418.db2.gz MOXDVMXADPDRGW-GFCCVEGCSA-N 1 2 277.444 1.975 20 30 CDEDLO N#C[C@@H]1CCCN(C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000915177713 631663912 /nfs/dbraw/zinc/66/39/12/631663912.db2.gz RHWPBZMEDZCMDB-AWEZNQCLSA-N 1 2 298.390 1.947 20 30 CDEDLO C=CC[N@@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000154986190 632597170 /nfs/dbraw/zinc/59/71/70/632597170.db2.gz LEAIXIBRTLWEKI-UHFFFAOYSA-N 1 2 273.296 1.929 20 30 CDEDLO C=CC[N@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000154986190 632597176 /nfs/dbraw/zinc/59/71/76/632597176.db2.gz LEAIXIBRTLWEKI-UHFFFAOYSA-N 1 2 273.296 1.929 20 30 CDEDLO C#CCOc1ccccc1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000806862990 1162713164 /nfs/dbraw/zinc/71/31/64/1162713164.db2.gz WBQMMMWJNXQEBA-UHFFFAOYSA-N 1 2 283.331 1.671 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001108088260 1161494812 /nfs/dbraw/zinc/49/48/12/1161494812.db2.gz VYMGBVJVZCIOCH-HYVNUMGLSA-N 1 2 290.407 1.407 20 30 CDEDLO C#CCCCCCC(=O)NCC[NH2+]Cc1nncs1 ZINC001132404186 1163270637 /nfs/dbraw/zinc/27/06/37/1163270637.db2.gz ULAZXTGPBVSAON-UHFFFAOYSA-N 1 2 280.397 1.328 20 30 CDEDLO Cc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1-c1nn[nH]n1 ZINC001605656126 1163635930 /nfs/dbraw/zinc/63/59/30/1163635930.db2.gz USOACVOKYGRRRI-LLVKDONJSA-N 1 2 270.340 1.909 20 30 CDEDLO Cc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1-c1nn[nH]n1 ZINC001605656126 1163635936 /nfs/dbraw/zinc/63/59/36/1163635936.db2.gz USOACVOKYGRRRI-LLVKDONJSA-N 1 2 270.340 1.909 20 30 CDEDLO Cc1nc(N(C)[C@H]2CCN(C(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001095117667 1164294156 /nfs/dbraw/zinc/29/41/56/1164294156.db2.gz XYJQWUDVKGRFGF-AWEZNQCLSA-N 1 2 286.379 1.482 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC001588350982 1173049219 /nfs/dbraw/zinc/04/92/19/1173049219.db2.gz XZGKFBCGGXITTN-UHFFFAOYSA-N 1 2 271.299 1.603 20 30 CDEDLO C#CC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC001588350982 1173049223 /nfs/dbraw/zinc/04/92/23/1173049223.db2.gz XZGKFBCGGXITTN-UHFFFAOYSA-N 1 2 271.299 1.603 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ncccn1 ZINC001669898384 1173626578 /nfs/dbraw/zinc/62/65/78/1173626578.db2.gz GYHVMMYSCAUUPO-SNVBAGLBSA-N 1 2 268.748 1.279 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ncccn1 ZINC001669898384 1173626586 /nfs/dbraw/zinc/62/65/86/1173626586.db2.gz GYHVMMYSCAUUPO-SNVBAGLBSA-N 1 2 268.748 1.279 20 30 CDEDLO N#CCC[NH2+]Cc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001592678189 1173968610 /nfs/dbraw/zinc/96/86/10/1173968610.db2.gz PBLGLKPLJMCENE-UHFFFAOYSA-N 1 2 262.704 1.523 20 30 CDEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001714329528 1179087415 /nfs/dbraw/zinc/08/74/15/1179087415.db2.gz QGWMNQTXGRPFLX-NEPJUHHUSA-N 1 2 294.424 1.831 20 30 CDEDLO C=CCCC(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC001718669802 1181071015 /nfs/dbraw/zinc/07/10/15/1181071015.db2.gz IZHPHRIPSGRBEB-NEPJUHHUSA-N 1 2 290.367 1.024 20 30 CDEDLO CN(CC#N)C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001752508615 1184873563 /nfs/dbraw/zinc/87/35/63/1184873563.db2.gz XAOFKJNZLFKCCX-CYBMUJFWSA-N 1 2 289.383 1.036 20 30 CDEDLO CC#CCCCC(=O)NC[C@H](C)[NH2+][C@@H](C)c1nc(C)no1 ZINC001752894946 1184954245 /nfs/dbraw/zinc/95/42/45/1184954245.db2.gz YBUBTPMVGBPGII-RYUDHWBXSA-N 1 2 292.383 1.727 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)Oc2cccnc2)C1 ZINC001753387337 1185179920 /nfs/dbraw/zinc/17/99/20/1185179920.db2.gz VDUMAFDEMYOPCV-LBPRGKRZSA-N 1 2 275.352 1.225 20 30 CDEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)C=C(CC)CC)C1 ZINC001753399889 1185186735 /nfs/dbraw/zinc/18/67/35/1185186735.db2.gz STVIPURGQDVWJM-UHFFFAOYSA-N 1 2 293.411 1.083 20 30 CDEDLO C#CC[NH2+]CCN(CC)C(=O)c1[nH]nc2ccccc21 ZINC001754080739 1185451637 /nfs/dbraw/zinc/45/16/37/1185451637.db2.gz KCQHJQRUHGYZEM-UHFFFAOYSA-N 1 2 270.336 1.248 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NC/C=C\C[NH2+]Cc1cnon1 ZINC001754156289 1185485989 /nfs/dbraw/zinc/48/59/89/1185485989.db2.gz JSWFPLIHWQLMPD-WAYWQWQTSA-N 1 2 278.356 1.434 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)CCCC)C1=O ZINC001754473379 1185631889 /nfs/dbraw/zinc/63/18/89/1185631889.db2.gz JJVOSODOLXEXRG-KBPBESRZSA-N 1 2 293.411 1.154 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)CCCC)C1=O ZINC001754473379 1185631892 /nfs/dbraw/zinc/63/18/92/1185631892.db2.gz JJVOSODOLXEXRG-KBPBESRZSA-N 1 2 293.411 1.154 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)CC ZINC001754492462 1185639961 /nfs/dbraw/zinc/63/99/61/1185639961.db2.gz CLBNYDVQWVDIQL-CJNGLKHVSA-N 1 2 295.427 1.258 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)CC ZINC001754492462 1185639967 /nfs/dbraw/zinc/63/99/67/1185639967.db2.gz CLBNYDVQWVDIQL-CJNGLKHVSA-N 1 2 295.427 1.258 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@H]2OC)C1 ZINC001754577345 1185672046 /nfs/dbraw/zinc/67/20/46/1185672046.db2.gz RIOOKZPEWNQARR-LSDHHAIUSA-N 1 2 296.411 1.147 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@H]2CCC2(C)C)C1 ZINC001754582436 1185674636 /nfs/dbraw/zinc/67/46/36/1185674636.db2.gz RVBHVGWXOPKPPY-CQSZACIVSA-N 1 2 280.412 1.768 20 30 CDEDLO C#CCCCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nc(C)no1 ZINC001755235242 1185869952 /nfs/dbraw/zinc/86/99/52/1185869952.db2.gz ZYAGJHSMPNJCKO-QWRGUYRKSA-N 1 2 278.356 1.164 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(CCC)CC3)C2)C1 ZINC001755402392 1185940711 /nfs/dbraw/zinc/94/07/11/1185940711.db2.gz RPTURQLVHFHXLS-QGZVFWFLSA-N 1 2 290.407 1.503 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(CCC)CC3)C2)C1 ZINC001755402392 1185940716 /nfs/dbraw/zinc/94/07/16/1185940716.db2.gz RPTURQLVHFHXLS-QGZVFWFLSA-N 1 2 290.407 1.503 20 30 CDEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000878996526 1166284111 /nfs/dbraw/zinc/28/41/11/1166284111.db2.gz KYGMREUSUABEDE-AWEZNQCLSA-N 1 2 280.412 1.912 20 30 CDEDLO CS(=O)(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000048412989 1166459340 /nfs/dbraw/zinc/45/93/40/1166459340.db2.gz GGTLSWOQPMNOSA-UHFFFAOYSA-N 1 2 293.392 1.072 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001046549630 828839997 /nfs/dbraw/zinc/83/99/97/828839997.db2.gz IUAMDDNYBCSQDX-GAFUQQFSSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001046549630 828839998 /nfs/dbraw/zinc/83/99/98/828839998.db2.gz IUAMDDNYBCSQDX-GAFUQQFSSA-N 1 2 256.777 1.976 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(CC#N)n1 ZINC000882471280 828822575 /nfs/dbraw/zinc/82/25/75/828822575.db2.gz NOGCFIBFFTXNOY-JTQLQIEISA-N 1 2 269.308 1.688 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(CC#N)n1 ZINC000882471280 828822576 /nfs/dbraw/zinc/82/25/76/828822576.db2.gz NOGCFIBFFTXNOY-JTQLQIEISA-N 1 2 269.308 1.688 20 30 CDEDLO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/Cl ZINC001029300514 828830414 /nfs/dbraw/zinc/83/04/14/828830414.db2.gz IZRZGZNRHVGJOJ-XJYYEOMASA-N 1 2 278.783 1.828 20 30 CDEDLO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/Cl ZINC001029300514 828830415 /nfs/dbraw/zinc/83/04/15/828830415.db2.gz IZRZGZNRHVGJOJ-XJYYEOMASA-N 1 2 278.783 1.828 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2[nH]nnc2C)C1 ZINC001034345930 828832619 /nfs/dbraw/zinc/83/26/19/828832619.db2.gz VRTSWPZXQAXSNU-LLVKDONJSA-N 1 2 297.790 1.450 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2[nH]nnc2C)C1 ZINC001034345930 828832620 /nfs/dbraw/zinc/83/26/20/828832620.db2.gz VRTSWPZXQAXSNU-LLVKDONJSA-N 1 2 297.790 1.450 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccs1)O2 ZINC001053568979 832991968 /nfs/dbraw/zinc/99/19/68/832991968.db2.gz QJTZFFSVOHMMRO-GFCCVEGCSA-N 1 2 292.404 1.897 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cscn1 ZINC001050841688 832305207 /nfs/dbraw/zinc/30/52/07/832305207.db2.gz GLRFEYZBQSIBTI-GFCCVEGCSA-N 1 2 295.408 1.540 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cscn1 ZINC001050841688 832305218 /nfs/dbraw/zinc/30/52/18/832305218.db2.gz GLRFEYZBQSIBTI-GFCCVEGCSA-N 1 2 295.408 1.540 20 30 CDEDLO N#CC1(C[C@@H](O)C[N@@H+]2Cc3cccnc3C2)CCC1 ZINC000886186007 833060520 /nfs/dbraw/zinc/06/05/20/833060520.db2.gz NVBAWJLYYXZDHB-CYBMUJFWSA-N 1 2 257.337 1.842 20 30 CDEDLO N#CC1(C[C@@H](O)C[N@H+]2Cc3cccnc3C2)CCC1 ZINC000886186007 833060532 /nfs/dbraw/zinc/06/05/32/833060532.db2.gz NVBAWJLYYXZDHB-CYBMUJFWSA-N 1 2 257.337 1.842 20 30 CDEDLO Nc1ccc2c(c1)C(=[NH+]NC(=S)NC1CC1)CCC2 ZINC000814734429 833060900 /nfs/dbraw/zinc/06/09/00/833060900.db2.gz KDFVELVTLIFIHY-UHFFFAOYSA-N 1 2 274.393 1.936 20 30 CDEDLO COc1cc(C=NNc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000790305250 833085043 /nfs/dbraw/zinc/08/50/43/833085043.db2.gz GSEZAGHFSIWLFJ-UHFFFAOYSA-N 1 2 275.268 1.783 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C3=CCCC3)C[C@H]21 ZINC001074211867 833161617 /nfs/dbraw/zinc/16/16/17/833161617.db2.gz GEYGBLNLTRDQLY-CVEARBPZSA-N 1 2 290.407 1.975 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3=CCCC3)C[C@H]21 ZINC001074211867 833161626 /nfs/dbraw/zinc/16/16/26/833161626.db2.gz GEYGBLNLTRDQLY-CVEARBPZSA-N 1 2 290.407 1.975 20 30 CDEDLO C=C[C@H](C)ONC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000845622711 833225819 /nfs/dbraw/zinc/22/58/19/833225819.db2.gz LLLOESVCKTXXKB-WCQYABFASA-N 1 2 277.324 1.750 20 30 CDEDLO COc1cccc([C@H]2CN(C(=O)C#CC(C)C)CC[NH2+]2)c1 ZINC000870152667 833261874 /nfs/dbraw/zinc/26/18/74/833261874.db2.gz CITGGCJBOGYCBY-MRXNPFEDSA-N 1 2 286.375 1.828 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Oc1ccccn1 ZINC001032736436 833274188 /nfs/dbraw/zinc/27/41/88/833274188.db2.gz QZWDCVFLAVDRIZ-KKUMJFAQSA-N 1 2 299.374 1.157 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Oc1ccccn1 ZINC001032736436 833274194 /nfs/dbraw/zinc/27/41/94/833274194.db2.gz QZWDCVFLAVDRIZ-KKUMJFAQSA-N 1 2 299.374 1.157 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC001038440744 833289901 /nfs/dbraw/zinc/28/99/01/833289901.db2.gz IDGFQXIYHWOIRF-AWEZNQCLSA-N 1 2 271.364 1.526 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC001038440744 833289902 /nfs/dbraw/zinc/28/99/02/833289902.db2.gz IDGFQXIYHWOIRF-AWEZNQCLSA-N 1 2 271.364 1.526 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(C(C)C)n1 ZINC001038470368 828852545 /nfs/dbraw/zinc/85/25/45/828852545.db2.gz AAHNTCOTHWCKRZ-ZDUSSCGKSA-N 1 2 271.364 1.642 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C(C)C)n1 ZINC001038470368 828852546 /nfs/dbraw/zinc/85/25/46/828852546.db2.gz AAHNTCOTHWCKRZ-ZDUSSCGKSA-N 1 2 271.364 1.642 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001049996114 828857381 /nfs/dbraw/zinc/85/73/81/828857381.db2.gz UKRMJHMQHPIPJY-SGMGOOAPSA-N 1 2 288.351 1.257 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001049996114 828857385 /nfs/dbraw/zinc/85/73/85/828857385.db2.gz UKRMJHMQHPIPJY-SGMGOOAPSA-N 1 2 288.351 1.257 20 30 CDEDLO Cc1nnsc1C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC000971209932 828862271 /nfs/dbraw/zinc/86/22/71/828862271.db2.gz VNXBBYDAWJYFIT-KOLCDFICSA-N 1 2 293.396 1.039 20 30 CDEDLO Cc1nnsc1C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC000971209932 828862272 /nfs/dbraw/zinc/86/22/72/828862272.db2.gz VNXBBYDAWJYFIT-KOLCDFICSA-N 1 2 293.396 1.039 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccccc1 ZINC001032739833 828862284 /nfs/dbraw/zinc/86/22/84/828862284.db2.gz NUSDYBGZSVAEDG-KBMXLJTQSA-N 1 2 268.360 1.708 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccccc1 ZINC001032739833 828862285 /nfs/dbraw/zinc/86/22/85/828862285.db2.gz NUSDYBGZSVAEDG-KBMXLJTQSA-N 1 2 268.360 1.708 20 30 CDEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2ccc(CC#N)cc2)C1 ZINC000805473571 828864978 /nfs/dbraw/zinc/86/49/78/828864978.db2.gz HQCNBUJKTDCRFQ-OAHLLOKOSA-N 1 2 288.347 1.517 20 30 CDEDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2ccc(CC#N)cc2)C1 ZINC000805473571 828864980 /nfs/dbraw/zinc/86/49/80/828864980.db2.gz HQCNBUJKTDCRFQ-OAHLLOKOSA-N 1 2 288.347 1.517 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000245711841 828868100 /nfs/dbraw/zinc/86/81/00/828868100.db2.gz FNPFUDRRTOBWBL-LSDHHAIUSA-N 1 2 287.363 1.192 20 30 CDEDLO CCC[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000245711841 828868101 /nfs/dbraw/zinc/86/81/01/828868101.db2.gz FNPFUDRRTOBWBL-LSDHHAIUSA-N 1 2 287.363 1.192 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nocc1C)O2 ZINC001053688515 828879296 /nfs/dbraw/zinc/87/92/96/828879296.db2.gz ROHJUGFCACWRLD-LBPRGKRZSA-N 1 2 291.351 1.132 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2occ3c2CCOC3)C1 ZINC001030747281 828879614 /nfs/dbraw/zinc/87/96/14/828879614.db2.gz XYQJOZXSOQIGSE-UHFFFAOYSA-N 1 2 276.336 1.342 20 30 CDEDLO C=C[C@H](C)NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444128766 833328833 /nfs/dbraw/zinc/32/88/33/833328833.db2.gz HBNCWSZTBGHAOZ-NWDGAFQWSA-N 1 2 262.357 1.884 20 30 CDEDLO C#CCCN1CC[NH+]([C@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000127359879 828897801 /nfs/dbraw/zinc/89/78/01/828897801.db2.gz JJYBOTJCCWXFIW-MRXNPFEDSA-N 1 2 293.455 1.661 20 30 CDEDLO N#CCCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000427637054 833345893 /nfs/dbraw/zinc/34/58/93/833345893.db2.gz FECFJVICRXLIHO-CQSZACIVSA-N 1 2 289.404 1.806 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)c1ccccc1OC ZINC000884088229 829021658 /nfs/dbraw/zinc/02/16/58/829021658.db2.gz BZWRWDKLOVNYCZ-NSHDSACASA-N 1 2 292.335 1.105 20 30 CDEDLO NC(CCO)=[NH+]OCc1coc(-c2ccccc2)n1 ZINC000136067111 829063347 /nfs/dbraw/zinc/06/33/47/829063347.db2.gz OUZYXMVKWAELKN-UHFFFAOYSA-N 1 2 261.281 1.513 20 30 CDEDLO C#CC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000799763092 833358423 /nfs/dbraw/zinc/35/84/23/833358423.db2.gz XLCIAJPKPUAILU-AWEZNQCLSA-N 1 2 286.375 1.751 20 30 CDEDLO C#CC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000799763092 833358431 /nfs/dbraw/zinc/35/84/31/833358431.db2.gz XLCIAJPKPUAILU-AWEZNQCLSA-N 1 2 286.375 1.751 20 30 CDEDLO Cc1nc(NC[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001060002904 833361928 /nfs/dbraw/zinc/36/19/28/833361928.db2.gz FZFATRJTIKZZDC-DGCLKSJQSA-N 1 2 287.367 1.595 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn2c1CCCC2 ZINC001038888349 829125887 /nfs/dbraw/zinc/12/58/87/829125887.db2.gz URBYPWCIMXZYST-ZDUSSCGKSA-N 1 2 286.379 1.047 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn2c1CCCC2 ZINC001038888349 829125902 /nfs/dbraw/zinc/12/59/02/829125902.db2.gz URBYPWCIMXZYST-ZDUSSCGKSA-N 1 2 286.379 1.047 20 30 CDEDLO C#CC[C@H]1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000888661771 829168758 /nfs/dbraw/zinc/16/87/58/829168758.db2.gz CXZSRFCSBCUZKE-LSDHHAIUSA-N 1 2 298.390 1.715 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)noc1C(F)F ZINC001038397754 829209473 /nfs/dbraw/zinc/20/94/73/829209473.db2.gz JUTXSRWKGXGHLZ-SECBINFHSA-N 1 2 285.294 1.911 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)noc1C(F)F ZINC001038397754 829209493 /nfs/dbraw/zinc/20/94/93/829209493.db2.gz JUTXSRWKGXGHLZ-SECBINFHSA-N 1 2 285.294 1.911 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001038987451 829237859 /nfs/dbraw/zinc/23/78/59/829237859.db2.gz ZYNBEGSYMASWBE-CQSZACIVSA-N 1 2 269.348 1.396 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001038987451 829237891 /nfs/dbraw/zinc/23/78/91/829237891.db2.gz ZYNBEGSYMASWBE-CQSZACIVSA-N 1 2 269.348 1.396 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(N(C)CC)cc2)C1 ZINC001044363140 833390366 /nfs/dbraw/zinc/39/03/66/833390366.db2.gz GVQWTWWPRCKYPN-UHFFFAOYSA-N 1 2 299.418 1.922 20 30 CDEDLO N#Cc1cccc(OCC(=O)N[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000857944781 829400714 /nfs/dbraw/zinc/40/07/14/829400714.db2.gz ADHBSDLBNQVVEP-CYBMUJFWSA-N 1 2 296.330 1.265 20 30 CDEDLO C=CCC1(O)CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000884725084 833407591 /nfs/dbraw/zinc/40/75/91/833407591.db2.gz VDCCHMHEMNMIKS-UHFFFAOYSA-N 1 2 274.368 1.958 20 30 CDEDLO C=CCC1(O)CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000884725084 833407598 /nfs/dbraw/zinc/40/75/98/833407598.db2.gz VDCCHMHEMNMIKS-UHFFFAOYSA-N 1 2 274.368 1.958 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)OCc1ccc[nH+]c1N ZINC000922390635 829510949 /nfs/dbraw/zinc/51/09/49/829510949.db2.gz VIWDYRSVMVHART-JTQLQIEISA-N 1 2 250.298 1.688 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc[nH]c2CCC)C1 ZINC001035482457 829585353 /nfs/dbraw/zinc/58/53/53/829585353.db2.gz XYWYQKQOTLTGCU-CYBMUJFWSA-N 1 2 291.395 1.584 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc[nH]c2CCC)C1 ZINC001035482457 829585384 /nfs/dbraw/zinc/58/53/84/829585384.db2.gz XYWYQKQOTLTGCU-CYBMUJFWSA-N 1 2 291.395 1.584 20 30 CDEDLO N#CCN[C@H]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001022926904 829593420 /nfs/dbraw/zinc/59/34/20/829593420.db2.gz BAQUORRJQIESCO-OKILXGFUSA-N 1 2 295.346 1.246 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C2Cc3ccccc3C2)C1 ZINC001031000490 829615619 /nfs/dbraw/zinc/61/56/19/829615619.db2.gz GGLBYAACBFXSSH-UHFFFAOYSA-N 1 2 268.360 1.225 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cnc(C3CC3)o2)CC1 ZINC000878424644 829695431 /nfs/dbraw/zinc/69/54/31/829695431.db2.gz VJACRHVPHXXQNB-UHFFFAOYSA-N 1 2 273.336 1.333 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2nc(C)oc2c1 ZINC001038367482 829828845 /nfs/dbraw/zinc/82/88/45/829828845.db2.gz PSFKNEBVISZMFO-CQSZACIVSA-N 1 2 297.358 1.964 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2nc(C)oc2c1 ZINC001038367482 829828847 /nfs/dbraw/zinc/82/88/47/829828847.db2.gz PSFKNEBVISZMFO-CQSZACIVSA-N 1 2 297.358 1.964 20 30 CDEDLO COc1cc(C)ccc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000819417934 829844206 /nfs/dbraw/zinc/84/42/06/829844206.db2.gz PFURAPAXNWBHJQ-CYBMUJFWSA-N 1 2 277.368 1.622 20 30 CDEDLO COc1cc(C)ccc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000819417934 829844211 /nfs/dbraw/zinc/84/42/11/829844211.db2.gz PFURAPAXNWBHJQ-CYBMUJFWSA-N 1 2 277.368 1.622 20 30 CDEDLO C#Cc1ccccc1CC(=O)N[C@@H]1COC2(C[NH+](CC)C2)C1 ZINC001053993238 829845255 /nfs/dbraw/zinc/84/52/55/829845255.db2.gz IYTNVLINKOBPQO-INIZCTEOSA-N 1 2 298.386 1.190 20 30 CDEDLO NC(CCO)=[NH+]OCc1ncc(Cl)cc1Cl ZINC000121415318 829920953 /nfs/dbraw/zinc/92/09/53/829920953.db2.gz HVKPYOMSXWEPIZ-UHFFFAOYSA-N 1 2 264.112 1.560 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH2+][C@@H](C)c2nnc(C)o2)C1 ZINC001019238375 829926218 /nfs/dbraw/zinc/92/62/18/829926218.db2.gz YUVODQUKYFJMBG-JQWIXIFHSA-N 1 2 292.383 1.842 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCCOC2)C1 ZINC001031570237 833574831 /nfs/dbraw/zinc/57/48/31/833574831.db2.gz OTWLUNUSEJMBBE-LBPRGKRZSA-N 1 2 272.776 1.214 20 30 CDEDLO C[C@H](O)CN(C)N=C1CCN(c2cccc[nH+]2)CC1 ZINC000841656528 829953899 /nfs/dbraw/zinc/95/38/99/829953899.db2.gz WAWCYOXNVUECGY-LBPRGKRZSA-N 1 2 262.357 1.350 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ncccc2O)[C@H]1C ZINC000993250979 829959453 /nfs/dbraw/zinc/95/94/53/829959453.db2.gz QZYFPMKUGTYYDT-NEPJUHHUSA-N 1 2 273.336 1.003 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ncccc2O)[C@H]1C ZINC000993250979 829959473 /nfs/dbraw/zinc/95/94/73/829959473.db2.gz QZYFPMKUGTYYDT-NEPJUHHUSA-N 1 2 273.336 1.003 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001017310714 830048582 /nfs/dbraw/zinc/04/85/82/830048582.db2.gz BRJVYTYIHBEGLG-IYBDPMFKSA-N 1 2 268.360 1.999 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001017310714 830048590 /nfs/dbraw/zinc/04/85/90/830048590.db2.gz BRJVYTYIHBEGLG-IYBDPMFKSA-N 1 2 268.360 1.999 20 30 CDEDLO CS(=O)(=O)c1ccc(N[NH+]=Cc2ccc(N)nc2)cc1 ZINC000807963411 830061479 /nfs/dbraw/zinc/06/14/79/830061479.db2.gz UIFODXZJHSVECI-UHFFFAOYSA-N 1 2 290.348 1.513 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cc1ccc(S(C)(=O)=O)cc1 ZINC000852748901 830084205 /nfs/dbraw/zinc/08/42/05/830084205.db2.gz KOEWSNSLINLASI-UHFFFAOYSA-N 1 2 295.404 1.562 20 30 CDEDLO C#CCC[N@H+](CCOC)Cc1ccc(S(C)(=O)=O)cc1 ZINC000852748901 830084217 /nfs/dbraw/zinc/08/42/17/830084217.db2.gz KOEWSNSLINLASI-UHFFFAOYSA-N 1 2 295.404 1.562 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c(C)onc2CC)C1 ZINC001044286921 830220048 /nfs/dbraw/zinc/22/00/48/830220048.db2.gz QFSDEGZPXLIWLM-UHFFFAOYSA-N 1 2 275.352 1.325 20 30 CDEDLO C#CC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)CC1(C)C ZINC000995850792 830246117 /nfs/dbraw/zinc/24/61/17/830246117.db2.gz VLBAHGKZCROULP-BDAKNGLRSA-N 1 2 280.265 1.347 20 30 CDEDLO C#CC[NH2+][C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)CC1(C)C ZINC000995850792 830246125 /nfs/dbraw/zinc/24/61/25/830246125.db2.gz VLBAHGKZCROULP-BDAKNGLRSA-N 1 2 280.265 1.347 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852431355 830297163 /nfs/dbraw/zinc/29/71/63/830297163.db2.gz BASLLILYLSOBJQ-CQSZACIVSA-N 1 2 289.310 1.724 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852431355 830297174 /nfs/dbraw/zinc/29/71/74/830297174.db2.gz BASLLILYLSOBJQ-CQSZACIVSA-N 1 2 289.310 1.724 20 30 CDEDLO Cc1[nH]nc(NC(=O)c2cccc3[nH+]ccn32)c1C#N ZINC000788174536 830307324 /nfs/dbraw/zinc/30/73/24/830307324.db2.gz CPHMELHSLUPTSS-UHFFFAOYSA-N 1 2 266.264 1.490 20 30 CDEDLO COc1cccc(/C=[NH+]/CCCNC(=O)C(C)C)c1O ZINC000157169455 830311466 /nfs/dbraw/zinc/31/14/66/830311466.db2.gz GVUSINCXIDSPQW-MHWRWJLKSA-N 1 2 278.352 1.982 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccon1)O2 ZINC001053577372 830323020 /nfs/dbraw/zinc/32/30/20/830323020.db2.gz HNKQWXCTWCXZCJ-GFCCVEGCSA-N 1 2 291.351 1.214 20 30 CDEDLO C[C@@]1(NC(=O)c2cccc3[nH+]ccn32)CCN(CC#N)C1 ZINC001046480963 830365803 /nfs/dbraw/zinc/36/58/03/830365803.db2.gz FRGAAXTXDNNLKZ-OAHLLOKOSA-N 1 2 283.335 1.052 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC001030669825 830381674 /nfs/dbraw/zinc/38/16/74/830381674.db2.gz TYPUAHVGGGRMSL-UHFFFAOYSA-N 1 2 270.336 1.092 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cscc2C)C1 ZINC001042590538 830385082 /nfs/dbraw/zinc/38/50/82/830385082.db2.gz JBKBPISAQCMGDZ-UHFFFAOYSA-N 1 2 262.378 1.836 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C1CCCCC1 ZINC000884044187 830386432 /nfs/dbraw/zinc/38/64/32/830386432.db2.gz YGQKQSFQFDOVIB-LBPRGKRZSA-N 1 2 268.357 1.224 20 30 CDEDLO C#CC1CCN(c2cc(NC[C@H](C)O)[nH+]cn2)CC1 ZINC000826714533 830407501 /nfs/dbraw/zinc/40/75/01/830407501.db2.gz CCJXLIPJKUEGKT-NSHDSACASA-N 1 2 260.341 1.119 20 30 CDEDLO C#CC1CCN(c2cc(NC[C@H](C)O)nc[nH+]2)CC1 ZINC000826714533 830407505 /nfs/dbraw/zinc/40/75/05/830407505.db2.gz CCJXLIPJKUEGKT-NSHDSACASA-N 1 2 260.341 1.119 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001030709122 830411225 /nfs/dbraw/zinc/41/12/25/830411225.db2.gz DRLXXSPPQYSTDU-KGLIPLIRSA-N 1 2 264.369 1.178 20 30 CDEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCN(C)C[C@H]2CO)cc1 ZINC000877643147 830435669 /nfs/dbraw/zinc/43/56/69/830435669.db2.gz AVUQKVPNKMQTLT-ZFWWWQNUSA-N 1 2 289.379 1.086 20 30 CDEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCN(C)C[C@H]2CO)cc1 ZINC000877643147 830435691 /nfs/dbraw/zinc/43/56/91/830435691.db2.gz AVUQKVPNKMQTLT-ZFWWWQNUSA-N 1 2 289.379 1.086 20 30 CDEDLO CCCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000829969160 830451670 /nfs/dbraw/zinc/45/16/70/830451670.db2.gz NMSGQLUUBWVTBO-HIFRSBDPSA-N 1 2 281.400 1.422 20 30 CDEDLO CCCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000829969160 830451688 /nfs/dbraw/zinc/45/16/88/830451688.db2.gz NMSGQLUUBWVTBO-HIFRSBDPSA-N 1 2 281.400 1.422 20 30 CDEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)[nH]n1 ZINC001017369392 830485643 /nfs/dbraw/zinc/48/56/43/830485643.db2.gz KJTRHMHTHLPXCX-OKILXGFUSA-N 1 2 286.379 1.284 20 30 CDEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)[nH]n1 ZINC001017369392 830485647 /nfs/dbraw/zinc/48/56/47/830485647.db2.gz KJTRHMHTHLPXCX-OKILXGFUSA-N 1 2 286.379 1.284 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C\Cl ZINC001029242860 830539112 /nfs/dbraw/zinc/53/91/12/830539112.db2.gz NDNPURYSOLUBRO-SJLBGHRLSA-N 1 2 267.760 1.574 20 30 CDEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C\Cl ZINC001029242860 830539131 /nfs/dbraw/zinc/53/91/31/830539131.db2.gz NDNPURYSOLUBRO-SJLBGHRLSA-N 1 2 267.760 1.574 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2cnoc2)CC[C@@H]1C ZINC001071759448 830605804 /nfs/dbraw/zinc/60/58/04/830605804.db2.gz HNDUYGFIGCWHKS-WCQYABFASA-N 1 2 297.786 1.939 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2cnoc2)CC[C@@H]1C ZINC001071759448 830605812 /nfs/dbraw/zinc/60/58/12/830605812.db2.gz HNDUYGFIGCWHKS-WCQYABFASA-N 1 2 297.786 1.939 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000877364121 830740202 /nfs/dbraw/zinc/74/02/02/830740202.db2.gz KPRLHOLFHHYWBW-NSHDSACASA-N 1 2 267.354 1.116 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[N@H+](Cc2ccns2)CC1 ZINC000980848865 830747569 /nfs/dbraw/zinc/74/75/69/830747569.db2.gz CJRHVVLWDNMNTB-LLVKDONJSA-N 1 2 278.381 1.337 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[N@@H+](Cc2ccns2)CC1 ZINC000980848865 830747589 /nfs/dbraw/zinc/74/75/89/830747589.db2.gz CJRHVVLWDNMNTB-LLVKDONJSA-N 1 2 278.381 1.337 20 30 CDEDLO N#CCCNC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000922229823 830801379 /nfs/dbraw/zinc/80/13/79/830801379.db2.gz WAKFXDNHYLIHEG-UHFFFAOYSA-N 1 2 273.340 1.581 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2cc[nH]c2c1 ZINC001038384851 833758385 /nfs/dbraw/zinc/75/83/85/833758385.db2.gz FELYLUAVSVKVOH-CYBMUJFWSA-N 1 2 282.347 1.390 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc2cc[nH]c2c1 ZINC001038384851 833758400 /nfs/dbraw/zinc/75/84/00/833758400.db2.gz FELYLUAVSVKVOH-CYBMUJFWSA-N 1 2 282.347 1.390 20 30 CDEDLO C=C(C)CNC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000778752904 833464367 /nfs/dbraw/zinc/46/43/67/833464367.db2.gz QECYBZCAMJTIRS-UHFFFAOYSA-N 1 2 276.340 1.087 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC000829974313 832077158 /nfs/dbraw/zinc/07/71/58/832077158.db2.gz CQPMYKCZYVVNJE-GFCCVEGCSA-N 1 2 251.717 1.585 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000829974313 832077166 /nfs/dbraw/zinc/07/71/66/832077166.db2.gz CQPMYKCZYVVNJE-GFCCVEGCSA-N 1 2 251.717 1.585 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C)cn3ccnc23)C1 ZINC001043452992 832238763 /nfs/dbraw/zinc/23/87/63/832238763.db2.gz IJYMMZNDOCSPJV-UHFFFAOYSA-N 1 2 296.374 1.422 20 30 CDEDLO CC[C@@H](C#N)C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874888499 832242005 /nfs/dbraw/zinc/24/20/05/832242005.db2.gz PDISRKBSJDDMPC-SMDDNHRTSA-N 1 2 275.327 1.848 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cnns2)[C@@H]1C ZINC000993079295 832307256 /nfs/dbraw/zinc/30/72/56/832307256.db2.gz MMVYLHPYNZWRMG-QWRGUYRKSA-N 1 2 278.381 1.144 20 30 CDEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cnns2)[C@@H]1C ZINC000993079295 832307266 /nfs/dbraw/zinc/30/72/66/832307266.db2.gz MMVYLHPYNZWRMG-QWRGUYRKSA-N 1 2 278.381 1.144 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H](C)c2c(C)noc2C)C1 ZINC001044057662 833828953 /nfs/dbraw/zinc/82/89/53/833828953.db2.gz VKQCOCWTLHQQEQ-LLVKDONJSA-N 1 2 289.379 1.561 20 30 CDEDLO CC#CC[N@@H+]1C[C@H](NC(=O)c2snnc2C)CC[C@@H]1C ZINC001071347206 833832170 /nfs/dbraw/zinc/83/21/70/833832170.db2.gz IJZYMFWQLZHTMI-CMPLNLGQSA-N 1 2 292.408 1.453 20 30 CDEDLO CC#CC[N@H+]1C[C@H](NC(=O)c2snnc2C)CC[C@@H]1C ZINC001071347206 833832171 /nfs/dbraw/zinc/83/21/71/833832171.db2.gz IJZYMFWQLZHTMI-CMPLNLGQSA-N 1 2 292.408 1.453 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cncs2)C1 ZINC001030480585 832346667 /nfs/dbraw/zinc/34/66/67/832346667.db2.gz KGJCEXRQDBVWNM-UHFFFAOYSA-N 1 2 251.355 1.062 20 30 CDEDLO CC(C)(F)C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001009853725 832355271 /nfs/dbraw/zinc/35/52/71/832355271.db2.gz AXUKAXFEGYMIHQ-HNNXBMFYSA-N 1 2 288.366 1.977 20 30 CDEDLO CC(C)(F)C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001009853725 832355281 /nfs/dbraw/zinc/35/52/81/832355281.db2.gz AXUKAXFEGYMIHQ-HNNXBMFYSA-N 1 2 288.366 1.977 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001015320443 832359247 /nfs/dbraw/zinc/35/92/47/832359247.db2.gz FTTYRWHXKFZRBI-IIEFLBBWSA-N 1 2 296.798 1.353 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001015320443 832359258 /nfs/dbraw/zinc/35/92/58/832359258.db2.gz FTTYRWHXKFZRBI-IIEFLBBWSA-N 1 2 296.798 1.353 20 30 CDEDLO O=C(C#Cc1cccs1)NCCc1cn2c([nH+]1)CCCC2 ZINC000824716744 832364634 /nfs/dbraw/zinc/36/46/34/832364634.db2.gz ZIFBVJITCDHKJD-UHFFFAOYSA-N 1 2 299.399 1.991 20 30 CDEDLO N#Cc1csc(CNC(=O)CCCn2cc[nH+]c2)n1 ZINC000887981950 832381837 /nfs/dbraw/zinc/38/18/37/832381837.db2.gz ONSHKZAKBMBNJF-UHFFFAOYSA-N 1 2 275.337 1.308 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C2CCC(F)CC2)C1 ZINC001030905073 832384967 /nfs/dbraw/zinc/38/49/67/832384967.db2.gz AQUZRLUGXPFUSG-UHFFFAOYSA-N 1 2 252.333 1.338 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cnn(C)c3)cc2C1 ZINC001054255287 832399903 /nfs/dbraw/zinc/39/99/03/832399903.db2.gz KBDFZXGSQJQMRD-UHFFFAOYSA-N 1 2 294.358 1.299 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cnn(C)c3)cc2C1 ZINC001054255287 832399914 /nfs/dbraw/zinc/39/99/14/832399914.db2.gz KBDFZXGSQJQMRD-UHFFFAOYSA-N 1 2 294.358 1.299 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccn1CC=C ZINC001032447695 833880103 /nfs/dbraw/zinc/88/01/03/833880103.db2.gz UCSOKPBLHOJAAO-KBPBESRZSA-N 1 2 269.348 1.206 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccn1CC=C ZINC001032447695 833880104 /nfs/dbraw/zinc/88/01/04/833880104.db2.gz UCSOKPBLHOJAAO-KBPBESRZSA-N 1 2 269.348 1.206 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)ccn1C ZINC001038195256 833880123 /nfs/dbraw/zinc/88/01/23/833880123.db2.gz GGYDWFVOZZVITH-CYBMUJFWSA-N 1 2 259.353 1.161 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)ccn1C ZINC001038195256 833880124 /nfs/dbraw/zinc/88/01/24/833880124.db2.gz GGYDWFVOZZVITH-CYBMUJFWSA-N 1 2 259.353 1.161 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(Cl)cnn1CC ZINC001032421762 832651170 /nfs/dbraw/zinc/65/11/70/832651170.db2.gz CFOOOFIXKBPSEP-QWRGUYRKSA-N 1 2 292.770 1.088 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(Cl)cnn1CC ZINC001032421762 832651186 /nfs/dbraw/zinc/65/11/86/832651186.db2.gz CFOOOFIXKBPSEP-QWRGUYRKSA-N 1 2 292.770 1.088 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@@H]2OCCc3ccsc32)C1 ZINC001031274012 832702818 /nfs/dbraw/zinc/70/28/18/832702818.db2.gz KBHYVDNNYPAXJP-ZDUSSCGKSA-N 1 2 292.404 1.738 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnn1-c1ccccc1 ZINC001038414442 832705467 /nfs/dbraw/zinc/70/54/67/832705467.db2.gz ARGYGXKQZYYBSJ-OAHLLOKOSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnn1-c1ccccc1 ZINC001038414442 832705487 /nfs/dbraw/zinc/70/54/87/832705487.db2.gz ARGYGXKQZYYBSJ-OAHLLOKOSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2nc(C)sc2C)C1 ZINC001030507838 832808588 /nfs/dbraw/zinc/80/85/88/832808588.db2.gz PEEWISYFGAWOGG-UHFFFAOYSA-N 1 2 263.366 1.197 20 30 CDEDLO CC(N=Nc1nc(-c2cccnc2)no1)c1ccc(N)[nH+]c1 ZINC000814948329 832810669 /nfs/dbraw/zinc/81/06/69/832810669.db2.gz IYMPBELXBODYLD-UHFFFAOYSA-N 1 2 295.306 1.945 20 30 CDEDLO C=CCN1CCN(C[N@H+]2C[C@H](CC)OC[C@H]2CC)C1=O ZINC000844724058 832818561 /nfs/dbraw/zinc/81/85/61/832818561.db2.gz TXKYYKAGRMHTAV-KGLIPLIRSA-N 1 2 281.400 1.757 20 30 CDEDLO C=CCN1CCN(C[N@@H+]2C[C@H](CC)OC[C@H]2CC)C1=O ZINC000844724058 832818567 /nfs/dbraw/zinc/81/85/67/832818567.db2.gz TXKYYKAGRMHTAV-KGLIPLIRSA-N 1 2 281.400 1.757 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2cnccc2OC)C1 ZINC001043066002 832829778 /nfs/dbraw/zinc/82/97/78/832829778.db2.gz VHUWMULKOPXGGW-UHFFFAOYSA-N 1 2 289.379 1.351 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1OC ZINC001038945638 832834305 /nfs/dbraw/zinc/83/43/05/832834305.db2.gz SZAZTCDQVSNSRR-GFCCVEGCSA-N 1 2 258.321 1.133 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1OC ZINC001038945638 832834309 /nfs/dbraw/zinc/83/43/09/832834309.db2.gz SZAZTCDQVSNSRR-GFCCVEGCSA-N 1 2 258.321 1.133 20 30 CDEDLO N#CCOc1ccc(CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000280394823 832850102 /nfs/dbraw/zinc/85/01/02/832850102.db2.gz XHFZRBYJIYVMMF-UHFFFAOYSA-N 1 2 284.319 1.561 20 30 CDEDLO N#CCOc1ccc(CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000280394823 832850103 /nfs/dbraw/zinc/85/01/03/832850103.db2.gz XHFZRBYJIYVMMF-UHFFFAOYSA-N 1 2 284.319 1.561 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]c(C)nc2C)C1 ZINC001015718561 832864142 /nfs/dbraw/zinc/86/41/42/832864142.db2.gz SRLDIXAYDJZBNG-NSHDSACASA-N 1 2 282.775 1.583 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]c(C)nc2C)C1 ZINC001015718561 832864145 /nfs/dbraw/zinc/86/41/45/832864145.db2.gz SRLDIXAYDJZBNG-NSHDSACASA-N 1 2 282.775 1.583 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C2CC2)cnn1C ZINC001038337847 832868019 /nfs/dbraw/zinc/86/80/19/832868019.db2.gz ZSDLXWFPCFWHGM-CYBMUJFWSA-N 1 2 286.379 1.125 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C2CC2)cnn1C ZINC001038337847 832868020 /nfs/dbraw/zinc/86/80/20/832868020.db2.gz ZSDLXWFPCFWHGM-CYBMUJFWSA-N 1 2 286.379 1.125 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C(F)F)n1 ZINC001017584767 832881764 /nfs/dbraw/zinc/88/17/64/832881764.db2.gz RCQSJWLFMGKQGC-PHIMTYICSA-N 1 2 296.321 1.753 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C(F)F)n1 ZINC001017584767 832881766 /nfs/dbraw/zinc/88/17/66/832881766.db2.gz RCQSJWLFMGKQGC-PHIMTYICSA-N 1 2 296.321 1.753 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cccs2)C1 ZINC001035278344 832912045 /nfs/dbraw/zinc/91/20/45/832912045.db2.gz AGTQJZHXIPDMKW-NSHDSACASA-N 1 2 266.366 1.365 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cccs2)C1 ZINC001035278344 832912056 /nfs/dbraw/zinc/91/20/56/832912056.db2.gz AGTQJZHXIPDMKW-NSHDSACASA-N 1 2 266.366 1.365 20 30 CDEDLO Cc1cc(C[N@@H+]2CCC3(CN(C(=O)C#CC4CC4)C3)C2)no1 ZINC001072716544 833540121 /nfs/dbraw/zinc/54/01/21/833540121.db2.gz ZYQVARMGYHJVDI-UHFFFAOYSA-N 1 2 299.374 1.431 20 30 CDEDLO 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CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(CC)nnc1C ZINC001038551889 834953971 /nfs/dbraw/zinc/95/39/71/834953971.db2.gz FNWBZSQZQNMQHU-AWEZNQCLSA-N 1 2 286.379 1.175 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC001027336965 835005543 /nfs/dbraw/zinc/00/55/43/835005543.db2.gz WMJJWMZSVOKDFJ-STQMWFEESA-N 1 2 287.367 1.059 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC001027336965 835005559 /nfs/dbraw/zinc/00/55/59/835005559.db2.gz WMJJWMZSVOKDFJ-STQMWFEESA-N 1 2 287.367 1.059 20 30 CDEDLO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3cn[nH]c32)C1 ZINC001014440271 835011255 /nfs/dbraw/zinc/01/12/55/835011255.db2.gz WJUFSEKYQJSBRZ-KGLIPLIRSA-N 1 2 286.379 1.043 20 30 CDEDLO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3cn[nH]c32)C1 ZINC001014440271 835011269 /nfs/dbraw/zinc/01/12/69/835011269.db2.gz WJUFSEKYQJSBRZ-KGLIPLIRSA-N 1 2 286.379 1.043 20 30 CDEDLO N#CCC[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000819359667 835030636 /nfs/dbraw/zinc/03/06/36/835030636.db2.gz GFZCPWHULDODBN-UHFFFAOYSA-N 1 2 281.306 1.805 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2[nH]ccc2C)C1 ZINC001035355189 835048299 /nfs/dbraw/zinc/04/82/99/835048299.db2.gz TXFJRCUOIBRVMN-CYBMUJFWSA-N 1 2 277.368 1.330 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2[nH]ccc2C)C1 ZINC001035355189 835048311 /nfs/dbraw/zinc/04/83/11/835048311.db2.gz TXFJRCUOIBRVMN-CYBMUJFWSA-N 1 2 277.368 1.330 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2c(C)n[nH]c2C)C1 ZINC001033511841 835083759 /nfs/dbraw/zinc/08/37/59/835083759.db2.gz MQVPEHKORSXDSQ-GFCCVEGCSA-N 1 2 296.802 1.925 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c(C)n[nH]c2C)C1 ZINC001033511841 835083774 /nfs/dbraw/zinc/08/37/74/835083774.db2.gz MQVPEHKORSXDSQ-GFCCVEGCSA-N 1 2 296.802 1.925 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2n[nH]c(C)c2C)C1 ZINC001046199861 835215702 /nfs/dbraw/zinc/21/57/02/835215702.db2.gz LCGXGZRIGKKDGX-CQSZACIVSA-N 1 2 296.802 1.973 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2n[nH]c(C)c2C)C1 ZINC001046199861 835215727 /nfs/dbraw/zinc/21/57/27/835215727.db2.gz LCGXGZRIGKKDGX-CQSZACIVSA-N 1 2 296.802 1.973 20 30 CDEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CCCCCC#N ZINC000807282136 835247431 /nfs/dbraw/zinc/24/74/31/835247431.db2.gz FDKMXTTZBUGXCI-GFCCVEGCSA-N 1 2 292.339 1.015 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cscn2)C1 ZINC001031057181 835300548 /nfs/dbraw/zinc/30/05/48/835300548.db2.gz FAWDIIOWAOLCAC-UHFFFAOYSA-N 1 2 251.355 1.062 20 30 CDEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1ccc(F)cc1F ZINC000852752385 835343172 /nfs/dbraw/zinc/34/31/72/835343172.db2.gz WDVLIVQDQNLOHT-UHFFFAOYSA-N 1 2 296.317 1.875 20 30 CDEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1ccc(F)cc1F ZINC000852752385 835343188 /nfs/dbraw/zinc/34/31/88/835343188.db2.gz WDVLIVQDQNLOHT-UHFFFAOYSA-N 1 2 296.317 1.875 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc2c(c1)CCO2 ZINC000884086879 835435828 /nfs/dbraw/zinc/43/58/28/835435828.db2.gz KOOKAAAKBOLTMR-LBPRGKRZSA-N 1 2 290.319 1.007 20 30 CDEDLO Cc1ccn(C[N@@H+]2CCCO[C@H](C(C)C)C2)c(=O)c1C#N ZINC000840096762 835458558 /nfs/dbraw/zinc/45/85/58/835458558.db2.gz QKWFPUWYAKAWTN-HNNXBMFYSA-N 1 2 289.379 1.733 20 30 CDEDLO Cc1ccn(C[N@H+]2CCCO[C@H](C(C)C)C2)c(=O)c1C#N ZINC000840096762 835458560 /nfs/dbraw/zinc/45/85/60/835458560.db2.gz QKWFPUWYAKAWTN-HNNXBMFYSA-N 1 2 289.379 1.733 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@H]2CC[C@@H](C3CC3)O2)nn1 ZINC000887470507 835476626 /nfs/dbraw/zinc/47/66/26/835476626.db2.gz QVPSIYDISXFXRA-CABCVRRESA-N 1 2 274.368 1.349 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2F)C1 ZINC000932160103 835486337 /nfs/dbraw/zinc/48/63/37/835486337.db2.gz BTQCLGSQQYCEHI-QWHCGFSZSA-N 1 2 278.327 1.801 20 30 CDEDLO N#C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2F)C1 ZINC000932160103 835486347 /nfs/dbraw/zinc/48/63/47/835486347.db2.gz BTQCLGSQQYCEHI-QWHCGFSZSA-N 1 2 278.327 1.801 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2sc(CC)nc2C)C1 ZINC001015836345 835502040 /nfs/dbraw/zinc/50/20/40/835502040.db2.gz MTPHOEJGSYRCTN-NSHDSACASA-N 1 2 277.393 1.451 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2sc(CC)nc2C)C1 ZINC001015836345 835502045 /nfs/dbraw/zinc/50/20/45/835502045.db2.gz MTPHOEJGSYRCTN-NSHDSACASA-N 1 2 277.393 1.451 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000879773689 835504884 /nfs/dbraw/zinc/50/48/84/835504884.db2.gz OIZRONBYACVVMQ-UHFFFAOYSA-N 1 2 266.385 1.570 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001035331157 835528547 /nfs/dbraw/zinc/52/85/47/835528547.db2.gz RIPWSBWQRVTJAR-KBXIAJHMSA-N 1 2 278.396 1.426 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001035331157 835528553 /nfs/dbraw/zinc/52/85/53/835528553.db2.gz RIPWSBWQRVTJAR-KBXIAJHMSA-N 1 2 278.396 1.426 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2c1OCC2 ZINC001038734208 835536379 /nfs/dbraw/zinc/53/63/79/835536379.db2.gz JPSLAMCYMAUYNA-ZDUSSCGKSA-N 1 2 270.332 1.059 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2c1OCC2 ZINC001038734208 835536386 /nfs/dbraw/zinc/53/63/86/835536386.db2.gz JPSLAMCYMAUYNA-ZDUSSCGKSA-N 1 2 270.332 1.059 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC001030638627 835545780 /nfs/dbraw/zinc/54/57/80/835545780.db2.gz GXSAHWMKKGCPML-UHFFFAOYSA-N 1 2 294.358 1.514 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2cc[nH]c2n1 ZINC001038385541 835573639 /nfs/dbraw/zinc/57/36/39/835573639.db2.gz OCKVWZNLOFBJEX-ZDUSSCGKSA-N 1 2 282.347 1.390 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2cc[nH]c2n1 ZINC001038385541 835573652 /nfs/dbraw/zinc/57/36/52/835573652.db2.gz OCKVWZNLOFBJEX-ZDUSSCGKSA-N 1 2 282.347 1.390 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001035540414 835589955 /nfs/dbraw/zinc/58/99/55/835589955.db2.gz AQNJHJKANRSMNJ-OWCLPIDISA-N 1 2 292.423 1.816 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001035540414 835589986 /nfs/dbraw/zinc/58/99/86/835589986.db2.gz AQNJHJKANRSMNJ-OWCLPIDISA-N 1 2 292.423 1.816 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn[nH]1 ZINC001024346483 835611617 /nfs/dbraw/zinc/61/16/17/835611617.db2.gz NAMMLINNSUHRRY-LLVKDONJSA-N 1 2 282.775 1.747 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn[nH]1 ZINC001024346483 835611619 /nfs/dbraw/zinc/61/16/19/835611619.db2.gz NAMMLINNSUHRRY-LLVKDONJSA-N 1 2 282.775 1.747 20 30 CDEDLO C=C(C)CC[NH+]1CC(N(C)C(=O)c2ncccc2O)C1 ZINC001042646313 835642146 /nfs/dbraw/zinc/64/21/46/835642146.db2.gz OVVXPPOBBWBRLI-UHFFFAOYSA-N 1 2 275.352 1.510 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(F)F ZINC001032615722 835660874 /nfs/dbraw/zinc/66/08/74/835660874.db2.gz GTFOKCKIEXYMED-QWRGUYRKSA-N 1 2 270.323 1.586 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(F)F ZINC001032615722 835660892 /nfs/dbraw/zinc/66/08/92/835660892.db2.gz GTFOKCKIEXYMED-QWRGUYRKSA-N 1 2 270.323 1.586 20 30 CDEDLO N#Cc1cc(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)c[nH]1 ZINC000874891992 835699158 /nfs/dbraw/zinc/69/91/58/835699158.db2.gz YCTQIXHKHCQUBA-HNNXBMFYSA-N 1 2 298.321 1.812 20 30 CDEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnco3)C[C@@H]21 ZINC001074307720 835714009 /nfs/dbraw/zinc/71/40/09/835714009.db2.gz NHURIOQATQLBQS-QWHCGFSZSA-N 1 2 291.351 1.166 20 30 CDEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnco3)C[C@@H]21 ZINC001074307720 835714018 /nfs/dbraw/zinc/71/40/18/835714018.db2.gz NHURIOQATQLBQS-QWHCGFSZSA-N 1 2 291.351 1.166 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CCOC2(C[NH+](CCC)C2)C1 ZINC001053411346 835752806 /nfs/dbraw/zinc/75/28/06/835752806.db2.gz KEKYCEMJBIUSTL-HNNXBMFYSA-N 1 2 280.412 1.912 20 30 CDEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(F)CC2)cc1 ZINC000689902933 912671177 /nfs/dbraw/zinc/67/11/77/912671177.db2.gz GVIWDKQCYUGMBY-UHFFFAOYSA-N 1 2 261.300 1.931 20 30 CDEDLO CC(C)[C@](C)(C#N)[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173735052 912758577 /nfs/dbraw/zinc/75/85/77/912758577.db2.gz QZCVYHZODIBJHI-XQQFMLRXSA-N 1 2 262.361 1.685 20 30 CDEDLO C=C(Cl)CN1CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001483708232 912948658 /nfs/dbraw/zinc/94/86/58/912948658.db2.gz VFDYNKZXLXGOTE-ZDUSSCGKSA-N 1 2 296.802 1.606 20 30 CDEDLO Cc1cnc([C@H](C)[NH2+]CCNC(=O)c2cc(C#N)c[nH]2)o1 ZINC001125390979 895235703 /nfs/dbraw/zinc/23/57/03/895235703.db2.gz MECXZNRWVUXOMY-JTQLQIEISA-N 1 2 287.323 1.263 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C3CCCC3)[C@H]2C1 ZINC001083245132 896840499 /nfs/dbraw/zinc/84/04/99/896840499.db2.gz ZXCFDRXUEWXLQP-CWRNSKLLSA-N 1 2 290.407 1.358 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C3CCCC3)[C@H]2C1 ZINC001083245132 896840513 /nfs/dbraw/zinc/84/05/13/896840513.db2.gz ZXCFDRXUEWXLQP-CWRNSKLLSA-N 1 2 290.407 1.358 20 30 CDEDLO Cc1nc(NC[C@H](C)N(C)C(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001104508491 897807356 /nfs/dbraw/zinc/80/73/56/897807356.db2.gz GIKQIRZKHXRNCK-JTQLQIEISA-N 1 2 298.350 1.557 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N(C)[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001104540135 898359023 /nfs/dbraw/zinc/35/90/23/898359023.db2.gz RBUIIRXCYCCEKF-ABAIWWIYSA-N 1 2 292.383 1.371 20 30 CDEDLO N#CCc1cc(NC(=O)Cc2c[nH]c[nH+]2)ccc1F ZINC001176833404 914293689 /nfs/dbraw/zinc/29/36/89/914293689.db2.gz KOKYWKPEQCHATL-UHFFFAOYSA-N 1 2 258.256 1.796 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](C)SC)C1 ZINC001267674065 899234073 /nfs/dbraw/zinc/23/40/73/899234073.db2.gz LPOJUVRCKRZDEE-VIFPVBQESA-N 1 2 262.806 1.538 20 30 CDEDLO C#CCNC(=O)C[N@@H+](Cc1ccccc1OC)C1CC1 ZINC000048581085 904660873 /nfs/dbraw/zinc/66/08/73/904660873.db2.gz PBTBXBXNMAAXEN-UHFFFAOYSA-N 1 2 272.348 1.409 20 30 CDEDLO C#CCNC(=O)C[N@H+](Cc1ccccc1OC)C1CC1 ZINC000048581085 904660879 /nfs/dbraw/zinc/66/08/79/904660879.db2.gz PBTBXBXNMAAXEN-UHFFFAOYSA-N 1 2 272.348 1.409 20 30 CDEDLO C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC001271032672 905570197 /nfs/dbraw/zinc/57/01/97/905570197.db2.gz AILRBVOCKFGCCF-OKILXGFUSA-N 1 2 299.374 1.631 20 30 CDEDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC001271032672 905570207 /nfs/dbraw/zinc/57/02/07/905570207.db2.gz AILRBVOCKFGCCF-OKILXGFUSA-N 1 2 299.374 1.631 20 30 CDEDLO Cc1c(C#N)cccc1O[C@H](C)C[NH+]1CCOCC1 ZINC001228027924 906879879 /nfs/dbraw/zinc/87/98/79/906879879.db2.gz STTJKFFHISDUQZ-GFCCVEGCSA-N 1 2 260.337 1.966 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001482586131 907425556 /nfs/dbraw/zinc/42/55/56/907425556.db2.gz GQJRUQSEGUJYFY-CYBMUJFWSA-N 1 2 284.363 1.608 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001482586131 907425561 /nfs/dbraw/zinc/42/55/61/907425561.db2.gz GQJRUQSEGUJYFY-CYBMUJFWSA-N 1 2 284.363 1.608 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)CC=C(Cl)Cl)C1 ZINC001189401528 921473743 /nfs/dbraw/zinc/47/37/43/921473743.db2.gz YBJLWISVRVLNQT-VHSXEESVSA-N 1 2 290.194 1.998 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)CC=C(Cl)Cl)C1 ZINC001189401528 921473750 /nfs/dbraw/zinc/47/37/50/921473750.db2.gz YBJLWISVRVLNQT-VHSXEESVSA-N 1 2 290.194 1.998 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccoc2C)[C@H](O)C1 ZINC001090055224 921517115 /nfs/dbraw/zinc/51/71/15/921517115.db2.gz PZYJLIGVHZQMGM-CHWSQXEVSA-N 1 2 298.770 1.506 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccoc2C)[C@H](O)C1 ZINC001090055224 921517129 /nfs/dbraw/zinc/51/71/29/921517129.db2.gz PZYJLIGVHZQMGM-CHWSQXEVSA-N 1 2 298.770 1.506 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]21 ZINC001093259776 909715054 /nfs/dbraw/zinc/71/50/54/909715054.db2.gz ZWMWEUIMTSJRCO-VIKVFOODSA-N 1 2 284.363 1.139 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@@H]1CCc2c(F)cccc2C1 ZINC001171420626 910070506 /nfs/dbraw/zinc/07/05/06/910070506.db2.gz CSNSUZYJUODLJO-CHWSQXEVSA-N 1 2 259.328 1.480 20 30 CDEDLO C=CCCC(=O)NCCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001094327144 910503477 /nfs/dbraw/zinc/50/34/77/910503477.db2.gz FQGHPCOFGDIROU-UHFFFAOYSA-N 1 2 292.387 1.130 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccn(CCC)n2)CC1 ZINC001189821351 921655078 /nfs/dbraw/zinc/65/50/78/921655078.db2.gz MLOYEJHZXSXILD-UHFFFAOYSA-N 1 2 262.357 1.237 20 30 CDEDLO CC1(C)CC(N2CC[NH2+]C[C@@H]2C#N)CC(C)(C)O1 ZINC001172656757 911822070 /nfs/dbraw/zinc/82/20/70/911822070.db2.gz QDSNKFSTEQGRDQ-LBPRGKRZSA-N 1 2 251.374 1.520 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2ccc(C)n2)[C@H]1C ZINC001088865831 912052203 /nfs/dbraw/zinc/05/22/03/912052203.db2.gz KENNODKXOQPIOO-OLZOCXBDSA-N 1 2 296.802 1.523 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2ccc(C)n2)[C@H]1C ZINC001088865831 912052210 /nfs/dbraw/zinc/05/22/10/912052210.db2.gz KENNODKXOQPIOO-OLZOCXBDSA-N 1 2 296.802 1.523 20 30 CDEDLO CCCCN(CC#N)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178104742 915172672 /nfs/dbraw/zinc/17/26/72/915172672.db2.gz CBQPPTPSRGFPJB-LBPRGKRZSA-N 1 2 260.341 1.598 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([NH2+]Cc2nc(C)no2)[C@@H]1C ZINC001178320583 915371201 /nfs/dbraw/zinc/37/12/01/915371201.db2.gz ZFNNVWALFSRNSV-JQWIXIFHSA-N 1 2 278.356 1.423 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CC)C2 ZINC001110295040 917875383 /nfs/dbraw/zinc/87/53/83/917875383.db2.gz IQFVOHFUZSIWFB-SYQHCUMBSA-N 1 2 293.411 1.056 20 30 CDEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CC)C2 ZINC001110295040 917875393 /nfs/dbraw/zinc/87/53/93/917875393.db2.gz IQFVOHFUZSIWFB-SYQHCUMBSA-N 1 2 293.411 1.056 20 30 CDEDLO C=CCCCC(=O)NCc1cn(C2C[NH+](CC=C)C2)nn1 ZINC001107199294 918260894 /nfs/dbraw/zinc/26/08/94/918260894.db2.gz HGGDWCVIBIUKNU-UHFFFAOYSA-N 1 2 289.383 1.293 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(CC)CC)C1 ZINC001107756256 918742001 /nfs/dbraw/zinc/74/20/01/918742001.db2.gz XRQNNHPVKJQQLI-INIZCTEOSA-N 1 2 280.412 1.653 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C(CC)CC)C1 ZINC001107756256 918742015 /nfs/dbraw/zinc/74/20/15/918742015.db2.gz XRQNNHPVKJQQLI-INIZCTEOSA-N 1 2 280.412 1.653 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CC2CCC2)C1 ZINC001107841902 918866811 /nfs/dbraw/zinc/86/68/11/918866811.db2.gz UHZWFQZSKREPTF-OAHLLOKOSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CC2CCC2)C1 ZINC001107841902 918866821 /nfs/dbraw/zinc/86/68/21/918866821.db2.gz UHZWFQZSKREPTF-OAHLLOKOSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCc2ccoc2)C1 ZINC001107859631 918908391 /nfs/dbraw/zinc/90/83/91/918908391.db2.gz ZKFBULXSOMAEQL-INIZCTEOSA-N 1 2 292.379 1.605 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCc2ccoc2)C1 ZINC001107859631 918908405 /nfs/dbraw/zinc/90/84/05/918908405.db2.gz ZKFBULXSOMAEQL-INIZCTEOSA-N 1 2 292.379 1.605 20 30 CDEDLO Cc1nc(N[C@@H](C)CN(C)C(=O)C#CC2CC2)cc[nH+]1 ZINC001115713996 919049735 /nfs/dbraw/zinc/04/97/35/919049735.db2.gz XMKRXEMXPYADHE-NSHDSACASA-N 1 2 272.352 1.457 20 30 CDEDLO N#Cc1cc(F)cc(-c2noc([C@@]3([NH3+])CCOC3)n2)c1 ZINC001205220697 919173713 /nfs/dbraw/zinc/17/37/13/919173713.db2.gz ZJXCUOGWZPURGX-CYBMUJFWSA-N 1 2 274.255 1.322 20 30 CDEDLO CC#CCCCC(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001185019355 919370997 /nfs/dbraw/zinc/37/09/97/919370997.db2.gz GIHBXQONTVSKEF-GFCCVEGCSA-N 1 2 292.408 1.422 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC001138885320 936577660 /nfs/dbraw/zinc/57/76/60/936577660.db2.gz GSIXGNGXSSUXGN-UHFFFAOYSA-N 1 2 298.365 1.967 20 30 CDEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186033383 919850735 /nfs/dbraw/zinc/85/07/35/919850735.db2.gz GYGFMKVLBNVTLD-GFCCVEGCSA-N 1 2 290.367 1.120 20 30 CDEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186033383 919850740 /nfs/dbraw/zinc/85/07/40/919850740.db2.gz GYGFMKVLBNVTLD-GFCCVEGCSA-N 1 2 290.367 1.120 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2onc(C)c2C)C1 ZINC001108016869 919959009 /nfs/dbraw/zinc/95/90/09/919959009.db2.gz JXDYKJOUQZQAGV-HNNXBMFYSA-N 1 2 293.367 1.298 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2onc(C)c2C)C1 ZINC001108016869 919959015 /nfs/dbraw/zinc/95/90/15/919959015.db2.gz JXDYKJOUQZQAGV-HNNXBMFYSA-N 1 2 293.367 1.298 20 30 CDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC(=O)OCC ZINC001272889382 919972019 /nfs/dbraw/zinc/97/20/19/919972019.db2.gz LOWGPGDYUIXGRU-CHWSQXEVSA-N 1 2 280.368 1.191 20 30 CDEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC(=O)OCC ZINC001272889382 919972029 /nfs/dbraw/zinc/97/20/29/919972029.db2.gz LOWGPGDYUIXGRU-CHWSQXEVSA-N 1 2 280.368 1.191 20 30 CDEDLO C=CCn1cc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)cn1 ZINC001139768279 936644761 /nfs/dbraw/zinc/64/47/61/936644761.db2.gz MKMXPLFDGDGGKB-LLVKDONJSA-N 1 2 275.274 1.568 20 30 CDEDLO C=CCn1cc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)cn1 ZINC001139768279 936644763 /nfs/dbraw/zinc/64/47/63/936644763.db2.gz MKMXPLFDGDGGKB-LLVKDONJSA-N 1 2 275.274 1.568 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H](C)CNc2cc[nH+]c(C)n2)cc1 ZINC001108041637 920930273 /nfs/dbraw/zinc/93/02/73/920930273.db2.gz ZIIJIELLRYFZIX-GFCCVEGCSA-N 1 2 294.358 1.997 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc([C@@H](C)CC)no2)[C@@H](O)C1 ZINC001083843246 921920501 /nfs/dbraw/zinc/92/05/01/921920501.db2.gz YCJYJYKZEJIVFF-UHTWSYAYSA-N 1 2 293.367 1.149 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc([C@@H](C)CC)no2)[C@@H](O)C1 ZINC001083843246 921920515 /nfs/dbraw/zinc/92/05/15/921920515.db2.gz YCJYJYKZEJIVFF-UHTWSYAYSA-N 1 2 293.367 1.149 20 30 CDEDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)nc2)C1 ZINC001140546238 936723310 /nfs/dbraw/zinc/72/33/10/936723310.db2.gz AKWHLXFKWRUZQI-CQSZACIVSA-N 1 2 272.352 1.444 20 30 CDEDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)nc2)C1 ZINC001140546238 936723312 /nfs/dbraw/zinc/72/33/12/936723312.db2.gz AKWHLXFKWRUZQI-CQSZACIVSA-N 1 2 272.352 1.444 20 30 CDEDLO C=C(C)[C@@H]1CC=C(C[NH+]2CC3(C2)CN(C)C(=O)CO3)CC1 ZINC001273127162 922132253 /nfs/dbraw/zinc/13/22/53/922132253.db2.gz XVJWFAPFWRSDPA-OAHLLOKOSA-N 1 2 290.407 1.832 20 30 CDEDLO C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)Nc1ccc(C#N)nc1 ZINC001098344505 936749510 /nfs/dbraw/zinc/74/95/10/936749510.db2.gz NUWPQJCGHWKSTP-NSHDSACASA-N 1 2 298.350 1.226 20 30 CDEDLO C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)Nc1ccc(C#N)nc1 ZINC001098344505 936749512 /nfs/dbraw/zinc/74/95/12/936749512.db2.gz NUWPQJCGHWKSTP-NSHDSACASA-N 1 2 298.350 1.226 20 30 CDEDLO C[N@H+](C1COC1)C1CN(Cc2cccc(C#N)c2Cl)C1 ZINC001140809713 936760360 /nfs/dbraw/zinc/76/03/60/936760360.db2.gz DHVIRBYIWRDTFK-UHFFFAOYSA-N 1 2 291.782 1.726 20 30 CDEDLO C[N@@H+](C1COC1)C1CN(Cc2cccc(C#N)c2Cl)C1 ZINC001140809713 936760362 /nfs/dbraw/zinc/76/03/62/936760362.db2.gz DHVIRBYIWRDTFK-UHFFFAOYSA-N 1 2 291.782 1.726 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)C(=C)C)C1 ZINC001108115878 922481246 /nfs/dbraw/zinc/48/12/46/922481246.db2.gz WFEWTHCBFSXVMI-INIZCTEOSA-N 1 2 280.412 1.982 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)C(=C)C)C1 ZINC001108115878 922481256 /nfs/dbraw/zinc/48/12/56/922481256.db2.gz WFEWTHCBFSXVMI-INIZCTEOSA-N 1 2 280.412 1.982 20 30 CDEDLO C=C/C(C)=C\CC(=O)NC[C@@]1(C)C[N@H+](CC#CC)CCO1 ZINC001108137237 922725468 /nfs/dbraw/zinc/72/54/68/922725468.db2.gz YHBHNZPRHLSBQD-KCPLEYNQSA-N 1 2 290.407 1.739 20 30 CDEDLO C=C/C(C)=C\CC(=O)NC[C@@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001108137237 922725478 /nfs/dbraw/zinc/72/54/78/922725478.db2.gz YHBHNZPRHLSBQD-KCPLEYNQSA-N 1 2 290.407 1.739 20 30 CDEDLO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC001192998382 923374946 /nfs/dbraw/zinc/37/49/46/923374946.db2.gz JMZIXMRGCWZARD-CYBMUJFWSA-N 1 2 296.374 1.733 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC001192998382 923374961 /nfs/dbraw/zinc/37/49/61/923374961.db2.gz JMZIXMRGCWZARD-CYBMUJFWSA-N 1 2 296.374 1.733 20 30 CDEDLO C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001193122033 923465932 /nfs/dbraw/zinc/46/59/32/923465932.db2.gz IGKIDFMGANBPQP-BBBLOLIVSA-N 1 2 298.280 1.014 20 30 CDEDLO C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001193122033 923465942 /nfs/dbraw/zinc/46/59/42/923465942.db2.gz IGKIDFMGANBPQP-BBBLOLIVSA-N 1 2 298.280 1.014 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(N(C)C=O)cc2)CC1 ZINC001194006982 924011104 /nfs/dbraw/zinc/01/11/04/924011104.db2.gz FTHROISHSSQFOF-UHFFFAOYSA-N 1 2 287.363 1.223 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NC[C@]1(C)C[N@H+](CC#CC)CCO1 ZINC001108189934 924092641 /nfs/dbraw/zinc/09/26/41/924092641.db2.gz OIABGBJVBFEBRI-IAGOWNOFSA-N 1 2 292.423 1.819 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NC[C@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001108189934 924092650 /nfs/dbraw/zinc/09/26/50/924092650.db2.gz OIABGBJVBFEBRI-IAGOWNOFSA-N 1 2 292.423 1.819 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001079515140 924350405 /nfs/dbraw/zinc/35/04/05/924350405.db2.gz RGRYXNYWVDTGMP-BXKDBHETSA-N 1 2 282.775 1.141 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001079515140 924350417 /nfs/dbraw/zinc/35/04/17/924350417.db2.gz RGRYXNYWVDTGMP-BXKDBHETSA-N 1 2 282.775 1.141 20 30 CDEDLO CO[C@@H]1CC[N@H+](Cn2cccc(C#N)c2=O)CC1(C)C ZINC000840125936 936939486 /nfs/dbraw/zinc/93/94/86/936939486.db2.gz RHZILZMAELWHBK-CYBMUJFWSA-N 1 2 275.352 1.424 20 30 CDEDLO CO[C@@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)CC1(C)C ZINC000840125936 936939487 /nfs/dbraw/zinc/93/94/87/936939487.db2.gz RHZILZMAELWHBK-CYBMUJFWSA-N 1 2 275.352 1.424 20 30 CDEDLO C#CCCCC(=O)NC[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001100966565 936950027 /nfs/dbraw/zinc/95/00/27/936950027.db2.gz DXTOVKCKHJOEJM-AWEZNQCLSA-N 1 2 286.379 1.531 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2sccc2C(C)C)[C@@H](O)C1 ZINC001084083739 925138676 /nfs/dbraw/zinc/13/86/76/925138676.db2.gz XHMPXYZBTCSNEE-OLZOCXBDSA-N 1 2 294.420 1.832 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2sccc2C(C)C)[C@@H](O)C1 ZINC001084083739 925138681 /nfs/dbraw/zinc/13/86/81/925138681.db2.gz XHMPXYZBTCSNEE-OLZOCXBDSA-N 1 2 294.420 1.832 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)CC2CCCCC2)C1 ZINC001197819784 925244725 /nfs/dbraw/zinc/24/47/25/925244725.db2.gz NHNYSFQGEQGECH-RBSFLKMASA-N 1 2 296.386 1.089 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)CC2CCCCC2)C1 ZINC001197819784 925244732 /nfs/dbraw/zinc/24/47/32/925244732.db2.gz NHNYSFQGEQGECH-RBSFLKMASA-N 1 2 296.386 1.089 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3nc(Cl)cs3)[C@@H]2C1 ZINC001084607207 925305013 /nfs/dbraw/zinc/30/50/13/925305013.db2.gz NWHFMICJNRVVES-NXEZZACHSA-N 1 2 295.795 1.576 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3nc(Cl)cs3)[C@@H]2C1 ZINC001084607207 925305020 /nfs/dbraw/zinc/30/50/20/925305020.db2.gz NWHFMICJNRVVES-NXEZZACHSA-N 1 2 295.795 1.576 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(OC(F)F)ccn2)CC1 ZINC001199308727 925678015 /nfs/dbraw/zinc/67/80/15/925678015.db2.gz BTTBOSRNMUHADZ-UHFFFAOYSA-N 1 2 297.305 1.627 20 30 CDEDLO C#CCOC[C@@H](O)C[NH2+][C@@](CC)(CCCC)C(=O)OCC ZINC001251894468 925831498 /nfs/dbraw/zinc/83/14/98/925831498.db2.gz UODMXSLNYBYRDM-HOCLYGCPSA-N 1 2 299.411 1.489 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ncc(OC)cc2C)CC1 ZINC001199752095 925845995 /nfs/dbraw/zinc/84/59/95/925845995.db2.gz BVFDLQUFMDZYLE-UHFFFAOYSA-N 1 2 275.352 1.342 20 30 CDEDLO Cc1ccc(C#N)c(NCCN(C)C(=O)Cc2c[nH+]c[nH]2)n1 ZINC001101975587 937033340 /nfs/dbraw/zinc/03/33/40/937033340.db2.gz INXUYIGIWFTVDI-UHFFFAOYSA-N 1 2 298.350 1.098 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cscc1C ZINC001085536369 926125135 /nfs/dbraw/zinc/12/51/35/926125135.db2.gz ZZLRPVUGMPTYNI-LBPRGKRZSA-N 1 2 262.378 1.836 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cscc1C ZINC001085536369 926125138 /nfs/dbraw/zinc/12/51/38/926125138.db2.gz ZZLRPVUGMPTYNI-LBPRGKRZSA-N 1 2 262.378 1.836 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc(CC(C)C)[nH]1 ZINC001085595789 926194091 /nfs/dbraw/zinc/19/40/91/926194091.db2.gz MXKDEFMBNUWMCF-ZDUSSCGKSA-N 1 2 290.411 1.941 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc(CC(C)C)[nH]1 ZINC001085595789 926194098 /nfs/dbraw/zinc/19/40/98/926194098.db2.gz MXKDEFMBNUWMCF-ZDUSSCGKSA-N 1 2 290.411 1.941 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C2CC2)cnn1C ZINC001085635233 926234489 /nfs/dbraw/zinc/23/44/89/926234489.db2.gz LQOUPAQYTMGUNG-CYBMUJFWSA-N 1 2 286.379 1.077 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C2CC2)cnn1C ZINC001085635233 926234494 /nfs/dbraw/zinc/23/44/94/926234494.db2.gz LQOUPAQYTMGUNG-CYBMUJFWSA-N 1 2 286.379 1.077 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nc(C)sc1C ZINC001085666188 926264738 /nfs/dbraw/zinc/26/47/38/926264738.db2.gz AHHXPNMLKDDJFL-CYBMUJFWSA-N 1 2 291.420 1.930 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nc(C)sc1C ZINC001085666188 926264744 /nfs/dbraw/zinc/26/47/44/926264744.db2.gz AHHXPNMLKDDJFL-CYBMUJFWSA-N 1 2 291.420 1.930 20 30 CDEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1CCC ZINC001201636785 926349847 /nfs/dbraw/zinc/34/98/47/926349847.db2.gz JBHSKILYRHCGBN-GFCCVEGCSA-N 1 2 250.346 1.327 20 30 CDEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1CCC ZINC001201636785 926349854 /nfs/dbraw/zinc/34/98/54/926349854.db2.gz JBHSKILYRHCGBN-GFCCVEGCSA-N 1 2 250.346 1.327 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1coc(C2CC2)n1 ZINC001085858727 926457458 /nfs/dbraw/zinc/45/74/58/926457458.db2.gz HJUKERDFCIFJBJ-LBPRGKRZSA-N 1 2 273.336 1.332 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1coc(C2CC2)n1 ZINC001085858727 926457465 /nfs/dbraw/zinc/45/74/65/926457465.db2.gz HJUKERDFCIFJBJ-LBPRGKRZSA-N 1 2 273.336 1.332 20 30 CDEDLO C=CCN1C(=O)COCC12C[NH+](Cc1csc(C)c1)C2 ZINC001273942352 926551479 /nfs/dbraw/zinc/55/14/79/926551479.db2.gz JTLAIDKACWBOSY-UHFFFAOYSA-N 1 2 292.404 1.656 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1csc(C2CC2)n1 ZINC001085996343 926578339 /nfs/dbraw/zinc/57/83/39/926578339.db2.gz LWVPXAAEWMJDNY-LBPRGKRZSA-N 1 2 289.404 1.800 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1csc(C2CC2)n1 ZINC001085996343 926578347 /nfs/dbraw/zinc/57/83/47/926578347.db2.gz LWVPXAAEWMJDNY-LBPRGKRZSA-N 1 2 289.404 1.800 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNc2nc(Cl)c(F)cc2C#N)C1 ZINC001155193874 926635244 /nfs/dbraw/zinc/63/52/44/926635244.db2.gz LVWMGAZKAQIZJP-VIFPVBQESA-N 1 2 284.722 1.488 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNc2nc(Cl)c(F)cc2C#N)C1 ZINC001155193874 926635247 /nfs/dbraw/zinc/63/52/47/926635247.db2.gz LVWMGAZKAQIZJP-VIFPVBQESA-N 1 2 284.722 1.488 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001108270317 927061228 /nfs/dbraw/zinc/06/12/28/927061228.db2.gz GKUPOLADMROKSY-LZWOXQAQSA-N 1 2 278.396 1.426 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001108270317 927061241 /nfs/dbraw/zinc/06/12/41/927061241.db2.gz GKUPOLADMROKSY-LZWOXQAQSA-N 1 2 278.396 1.426 20 30 CDEDLO Cc1nc(NC[C@H](C)NC(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001108297670 927355651 /nfs/dbraw/zinc/35/56/51/927355651.db2.gz DKSUUNNOSPBAHA-VIFPVBQESA-N 1 2 284.323 1.215 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC001108337807 927408216 /nfs/dbraw/zinc/40/82/16/927408216.db2.gz NQTQBGUDBBYZFE-HZMBPMFUSA-N 1 2 278.356 1.029 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Nc2cc(C#N)cc3[nH]ccc32)C[NH2+]1 ZINC001169137088 927751109 /nfs/dbraw/zinc/75/11/09/927751109.db2.gz UONWKFLDNZNQDS-YGRLFVJLSA-N 1 2 284.319 1.355 20 30 CDEDLO C#CCOCCn1c2ccccc2[nH+]c1NCCO ZINC000853637240 928065563 /nfs/dbraw/zinc/06/55/63/928065563.db2.gz ORASPXLXWCWOSS-UHFFFAOYSA-N 1 2 259.309 1.090 20 30 CDEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C(CC)CC)CC2=O)C1 ZINC001108511249 928223353 /nfs/dbraw/zinc/22/33/53/928223353.db2.gz OAMJQXSEHFDBGX-CYBMUJFWSA-N 1 2 293.411 1.010 20 30 CDEDLO Cc1nc(N2CC[C@@](C)(NC(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001110736045 928755291 /nfs/dbraw/zinc/75/52/91/928755291.db2.gz QQKNGXNWPPWVDL-IINYFYTJSA-N 1 2 273.340 1.030 20 30 CDEDLO C=CCCC[NH+]1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001112868328 929513504 /nfs/dbraw/zinc/51/35/04/929513504.db2.gz MZTBRFDDFRPQFK-JTQLQIEISA-N 1 2 282.281 1.997 20 30 CDEDLO C=C[C@H]1C[C@]1(Nc1ccn2cc(N)[nH+]c2c1)C(=O)OCC ZINC001170919805 930755827 /nfs/dbraw/zinc/75/58/27/930755827.db2.gz WSRGPRSBEAMWKS-ZUZCIYMTSA-N 1 2 286.335 1.836 20 30 CDEDLO C=C[C@@H]1C[C@]1(Nc1cc[nH+]c(CC)c1)C(=O)OCC ZINC001170926950 930803963 /nfs/dbraw/zinc/80/39/63/930803963.db2.gz GCOPPALHIPKBAL-IAQYHMDHSA-N 1 2 260.337 1.986 20 30 CDEDLO CN1c2ccccc2C2(CC[NH+](CCC#N)CC2)C1=O ZINC001274032600 931135471 /nfs/dbraw/zinc/13/54/71/931135471.db2.gz SXVICKCRTVGKCZ-UHFFFAOYSA-N 1 2 269.348 1.910 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3[nH]c(=O)ccc3c2)CC1 ZINC001153834454 937475740 /nfs/dbraw/zinc/47/57/40/937475740.db2.gz CFQNFHCXLRFAMT-UHFFFAOYSA-N 1 2 297.358 1.472 20 30 CDEDLO C#CCN1C(=O)COCC12C[NH+](Cc1ccsc1C)C2 ZINC001274074544 931157830 /nfs/dbraw/zinc/15/78/30/931157830.db2.gz DJKLAGILIVHFQZ-UHFFFAOYSA-N 1 2 290.388 1.103 20 30 CDEDLO N#Cc1ccc(N2CCC[N@H+](Cc3cnc[nH]3)CC2)nc1 ZINC001136871395 931444863 /nfs/dbraw/zinc/44/48/63/931444863.db2.gz GUGQXKVHAJFOGN-UHFFFAOYSA-N 1 2 282.351 1.389 20 30 CDEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3cnc[nH]3)CC2)nc1 ZINC001136871395 931444870 /nfs/dbraw/zinc/44/48/70/931444870.db2.gz GUGQXKVHAJFOGN-UHFFFAOYSA-N 1 2 282.351 1.389 20 30 CDEDLO C=C(C)CN1CC2(C[NH+](C[C@H](O)CCCC)C2)OCC1=O ZINC001274573221 931509820 /nfs/dbraw/zinc/50/98/20/931509820.db2.gz RSTMJIGCVOLWON-CQSZACIVSA-N 1 2 296.411 1.027 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2cnnc2)cc1 ZINC001154155834 937511160 /nfs/dbraw/zinc/51/11/60/937511160.db2.gz XOUQMLWYJWCTEG-HNNXBMFYSA-N 1 2 295.346 1.303 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2cnnc2)cc1 ZINC001154155834 937511163 /nfs/dbraw/zinc/51/11/63/937511163.db2.gz XOUQMLWYJWCTEG-HNNXBMFYSA-N 1 2 295.346 1.303 20 30 CDEDLO C=CC[NH+]1CCN(Cc2cc(F)c(O)cc2F)CC1 ZINC001144667132 931951291 /nfs/dbraw/zinc/95/12/91/931951291.db2.gz UKFBFDXQHABXDC-UHFFFAOYSA-N 1 2 268.307 1.974 20 30 CDEDLO CC(=O)[C@H]1C[N@H+]([C@H](C)Cc2cccc(C#N)c2)CCO1 ZINC001171231021 932062368 /nfs/dbraw/zinc/06/23/68/932062368.db2.gz GQDYOJAHBRLBRG-MLGOLLRUSA-N 1 2 272.348 1.779 20 30 CDEDLO CC(=O)[C@H]1C[N@@H+]([C@H](C)Cc2cccc(C#N)c2)CCO1 ZINC001171231021 932062371 /nfs/dbraw/zinc/06/23/71/932062371.db2.gz GQDYOJAHBRLBRG-MLGOLLRUSA-N 1 2 272.348 1.779 20 30 CDEDLO C#CC[N@@H+](CC)[C@H](C)CNC(=O)c1cccc2nc[nH]c21 ZINC001155968366 937692603 /nfs/dbraw/zinc/69/26/03/937692603.db2.gz YQYOSIWEFYXFSF-GFCCVEGCSA-N 1 2 284.363 1.636 20 30 CDEDLO C#CC[N@H+](CC)[C@H](C)CNC(=O)c1cccc2nc[nH]c21 ZINC001155968366 937692605 /nfs/dbraw/zinc/69/26/05/937692605.db2.gz YQYOSIWEFYXFSF-GFCCVEGCSA-N 1 2 284.363 1.636 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001114671812 934904187 /nfs/dbraw/zinc/90/41/87/934904187.db2.gz KEJZKIUUZZTWPA-ITGUQSILSA-N 1 2 275.352 1.433 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001114671812 934904190 /nfs/dbraw/zinc/90/41/90/934904190.db2.gz KEJZKIUUZZTWPA-ITGUQSILSA-N 1 2 275.352 1.433 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21 ZINC001114753474 934954829 /nfs/dbraw/zinc/95/48/29/934954829.db2.gz WKOTWFYPWRLRGC-VIKVFOODSA-N 1 2 286.379 1.379 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21 ZINC001114753474 934954834 /nfs/dbraw/zinc/95/48/34/934954834.db2.gz WKOTWFYPWRLRGC-VIKVFOODSA-N 1 2 286.379 1.379 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(=C)C ZINC001017790593 935650007 /nfs/dbraw/zinc/65/00/07/935650007.db2.gz IFQJQZBPJYUJPZ-OKILXGFUSA-N 1 2 260.381 1.897 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(=C)C ZINC001017790593 935650009 /nfs/dbraw/zinc/65/00/09/935650009.db2.gz IFQJQZBPJYUJPZ-OKILXGFUSA-N 1 2 260.381 1.897 20 30 CDEDLO Cc1nc(N2CCC(N(C)C(=O)[C@@H](C)C#N)CC2)cc[nH+]1 ZINC001096100910 935954871 /nfs/dbraw/zinc/95/48/71/935954871.db2.gz PUTOIWUDJRWRGE-NSHDSACASA-N 1 2 287.367 1.372 20 30 CDEDLO C=CCCC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096353339 936049450 /nfs/dbraw/zinc/04/94/50/936049450.db2.gz VSCKJQANMSOMLK-LBPRGKRZSA-N 1 2 260.341 1.446 20 30 CDEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncs1)C2 ZINC001096851542 936227963 /nfs/dbraw/zinc/22/79/63/936227963.db2.gz RSULSIVSKRMFRM-UTUOFQBUSA-N 1 2 275.377 1.502 20 30 CDEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncs1)C2 ZINC001096851542 936227967 /nfs/dbraw/zinc/22/79/67/936227967.db2.gz RSULSIVSKRMFRM-UTUOFQBUSA-N 1 2 275.377 1.502 20 30 CDEDLO C=CCC[C@@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC001120733618 937830719 /nfs/dbraw/zinc/83/07/19/937830719.db2.gz OWYXEWWFSAQUCL-HUUCEWRRSA-N 1 2 279.428 1.580 20 30 CDEDLO C=C[C@H](CC)CC(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122378047 937927083 /nfs/dbraw/zinc/92/70/83/937927083.db2.gz FXTJHJKUWVLIMC-CHWSQXEVSA-N 1 2 292.383 1.276 20 30 CDEDLO N#Cc1nc(NCCCn2cc[nH+]c2)cc2nc[nH]c21 ZINC001161681467 938919976 /nfs/dbraw/zinc/91/99/76/938919976.db2.gz ZVJOQQNRPUIKEB-UHFFFAOYSA-N 1 2 267.296 1.528 20 30 CDEDLO Cc1ccc(Cl)nc1C(F)(F)N1CC[NH2+]C[C@H]1C#N ZINC001164650832 939502060 /nfs/dbraw/zinc/50/20/60/939502060.db2.gz BYRWTGMJOMANBL-SECBINFHSA-N 1 2 286.713 1.890 20 30 CDEDLO CN(C)C(=O)[C@@H]1CC12CCN(c1cc(CC#N)cc[nH+]1)CC2 ZINC001166133803 939594954 /nfs/dbraw/zinc/59/49/54/939594954.db2.gz IWTJXNUSYNKNMU-AWEZNQCLSA-N 1 2 298.390 1.842 20 30 CDEDLO CCCCCCCCS(=O)(=O)N1CC[NH2+][C@@H]2C[C@@H]21 ZINC001239056045 945312345 /nfs/dbraw/zinc/31/23/45/945312345.db2.gz COJOCHYPIRRAQG-OLZOCXBDSA-N 1 2 274.430 1.723 20 30 CDEDLO C=CCN(CC[NH+]1CCN(CCF)CC1)C(=O)OCC ZINC001209023062 940425636 /nfs/dbraw/zinc/42/56/36/940425636.db2.gz YYBXVZUGPVUVJN-UHFFFAOYSA-N 1 2 287.379 1.218 20 30 CDEDLO C#CCOc1ccc(CN2CC[NH2+]CC(F)(F)C2)cc1 ZINC001211341882 940748289 /nfs/dbraw/zinc/74/82/89/940748289.db2.gz OEDJLLRYCCERBN-UHFFFAOYSA-N 1 2 280.318 1.739 20 30 CDEDLO CC(C)C#CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csnn2)C1 ZINC001214582088 940831173 /nfs/dbraw/zinc/83/11/73/940831173.db2.gz ILWCWCADCAGYTM-DGCLKSJQSA-N 1 2 292.408 1.134 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C(CC)CC)[C@H]2C1 ZINC001218208524 941044446 /nfs/dbraw/zinc/04/44/46/941044446.db2.gz ZNLRDTZOFGRAOX-CWRNSKLLSA-N 1 2 292.423 1.604 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C(CC)CC)[C@H]2C1 ZINC001218208524 941044449 /nfs/dbraw/zinc/04/44/49/941044449.db2.gz ZNLRDTZOFGRAOX-CWRNSKLLSA-N 1 2 292.423 1.604 20 30 CDEDLO Cn1c[nH+]cc1COC1CCN(c2ncccc2C#N)CC1 ZINC001222600081 941619427 /nfs/dbraw/zinc/61/94/27/941619427.db2.gz HYAZLUHCUPKRDC-UHFFFAOYSA-N 1 2 297.362 1.872 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(F)c(C#N)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225820954 941917011 /nfs/dbraw/zinc/91/70/11/941917011.db2.gz UONSWWHAFPVTEQ-GAAPNJIFSA-N 1 2 274.295 1.689 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(F)c(C#N)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225820954 941917013 /nfs/dbraw/zinc/91/70/13/941917013.db2.gz UONSWWHAFPVTEQ-GAAPNJIFSA-N 1 2 274.295 1.689 20 30 CDEDLO COC(=O)c1cc(C#N)ccc1OC[C@@H]1C[N@H+](C)CCO1 ZINC001226304622 941982762 /nfs/dbraw/zinc/98/27/62/941982762.db2.gz CTXBWDYMRYWXMH-LBPRGKRZSA-N 1 2 290.319 1.054 20 30 CDEDLO COC(=O)c1cc(C#N)ccc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001226304622 941982766 /nfs/dbraw/zinc/98/27/66/941982766.db2.gz CTXBWDYMRYWXMH-LBPRGKRZSA-N 1 2 290.319 1.054 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2nc(C(C)(C)C)ccc2C#N)C1 ZINC001226550290 942024428 /nfs/dbraw/zinc/02/44/28/942024428.db2.gz NJXQJQGFZOQUDN-CYBMUJFWSA-N 1 2 289.379 1.960 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2nc(C(C)(C)C)ccc2C#N)C1 ZINC001226550290 942024432 /nfs/dbraw/zinc/02/44/32/942024432.db2.gz NJXQJQGFZOQUDN-CYBMUJFWSA-N 1 2 289.379 1.960 20 30 CDEDLO Cc1ccnc(C[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)n1 ZINC001226618159 942036912 /nfs/dbraw/zinc/03/69/12/942036912.db2.gz ZDAYFXDQHAADAA-LLVKDONJSA-N 1 2 287.367 1.025 20 30 CDEDLO CCOc1ncc(F)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)n1 ZINC001228366711 942305560 /nfs/dbraw/zinc/30/55/60/942305560.db2.gz AHUAWSBICATIRB-ZQLNZSQWSA-N 1 2 295.314 1.006 20 30 CDEDLO CCOc1ncc(F)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)n1 ZINC001228366711 942305567 /nfs/dbraw/zinc/30/55/67/942305567.db2.gz AHUAWSBICATIRB-ZQLNZSQWSA-N 1 2 295.314 1.006 20 30 CDEDLO CC(=O)Nc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cn1 ZINC001229101501 942418697 /nfs/dbraw/zinc/41/86/97/942418697.db2.gz WBNJBFGNGSSVSH-KYFMZXIUSA-N 1 2 289.335 1.031 20 30 CDEDLO CC(=O)Nc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cn1 ZINC001229101501 942418699 /nfs/dbraw/zinc/41/86/99/942418699.db2.gz WBNJBFGNGSSVSH-KYFMZXIUSA-N 1 2 289.335 1.031 20 30 CDEDLO O=C1C=CC(=O)c2c(O[C@@H]3C[NH+]4CCC3CC4)ccc(O)c21 ZINC001229407019 942465649 /nfs/dbraw/zinc/46/56/49/942465649.db2.gz HROGHSPLEPEPCB-OAHLLOKOSA-N 1 2 299.326 1.800 20 30 CDEDLO C#C[C@@H](Oc1ccc(-n2cc[nH+]c2)cc1)C(=O)OCC ZINC001229953965 942556470 /nfs/dbraw/zinc/55/64/70/942556470.db2.gz GPSGKECTRZOMLB-CQSZACIVSA-N 1 2 270.288 1.816 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC(C)C ZINC001230646331 942665503 /nfs/dbraw/zinc/66/55/03/942665503.db2.gz LNUTXMJBBGDZGW-UONOGXRCSA-N 1 2 295.427 1.256 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(C)C ZINC001230646331 942665506 /nfs/dbraw/zinc/66/55/06/942665506.db2.gz LNUTXMJBBGDZGW-UONOGXRCSA-N 1 2 295.427 1.256 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C(CC)CC ZINC001230829522 942709542 /nfs/dbraw/zinc/70/95/42/942709542.db2.gz OQTTWAULPXAMAP-CQSZACIVSA-N 1 2 295.427 1.258 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C(CC)CC ZINC001230829522 942709545 /nfs/dbraw/zinc/70/95/45/942709545.db2.gz OQTTWAULPXAMAP-CQSZACIVSA-N 1 2 295.427 1.258 20 30 CDEDLO Cc1noc(C)c1C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231248400 942834972 /nfs/dbraw/zinc/83/49/72/942834972.db2.gz VRSZPCVLFYUEME-ZWNOBZJWSA-N 1 2 290.367 1.484 20 30 CDEDLO Cc1noc(C)c1C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231248400 942834977 /nfs/dbraw/zinc/83/49/77/942834977.db2.gz VRSZPCVLFYUEME-ZWNOBZJWSA-N 1 2 290.367 1.484 20 30 CDEDLO C#CCN1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232262167 943192394 /nfs/dbraw/zinc/19/23/94/943192394.db2.gz BAFUSRKYYAZCDG-UHFFFAOYSA-N 1 2 280.755 1.502 20 30 CDEDLO Cn1cc(C[N@@H+]2CCC23CN(c2ncccn2)C3)cc1C#N ZINC001277668889 943285366 /nfs/dbraw/zinc/28/53/66/943285366.db2.gz NPUHYTSQVFRZHH-UHFFFAOYSA-N 1 2 294.362 1.151 20 30 CDEDLO Cn1cc(C[N@H+]2CCC23CN(c2ncccn2)C3)cc1C#N ZINC001277668889 943285373 /nfs/dbraw/zinc/28/53/73/943285373.db2.gz NPUHYTSQVFRZHH-UHFFFAOYSA-N 1 2 294.362 1.151 20 30 CDEDLO CN1CC2(CC1=O)CC[NH+](Cc1cc(C#N)ccc1O)CC2 ZINC001232677830 943358602 /nfs/dbraw/zinc/35/86/02/943358602.db2.gz KTNNPOFXTWQUOX-UHFFFAOYSA-N 1 2 299.374 1.708 20 30 CDEDLO Cc1ccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c(C#N)c1 ZINC001232963429 943446899 /nfs/dbraw/zinc/44/68/99/943446899.db2.gz GQWKZHAFPOLGLA-INIZCTEOSA-N 1 2 271.364 1.383 20 30 CDEDLO Cc1ccc(C[N@H+]2CCN3CCOC[C@@H]3C2)c(C#N)c1 ZINC001232963429 943446907 /nfs/dbraw/zinc/44/69/07/943446907.db2.gz GQWKZHAFPOLGLA-INIZCTEOSA-N 1 2 271.364 1.383 20 30 CDEDLO CS(=O)(=O)Nc1ccc(C[N@@H+]2CC[C@H](C#N)C2)cc1 ZINC001233267848 943525220 /nfs/dbraw/zinc/52/52/20/943525220.db2.gz JWIIMPWYKGJNLJ-GFCCVEGCSA-N 1 2 279.365 1.404 20 30 CDEDLO CS(=O)(=O)Nc1ccc(C[N@H+]2CC[C@H](C#N)C2)cc1 ZINC001233267848 943525223 /nfs/dbraw/zinc/52/52/23/943525223.db2.gz JWIIMPWYKGJNLJ-GFCCVEGCSA-N 1 2 279.365 1.404 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC1(C)C ZINC001233673594 943638341 /nfs/dbraw/zinc/63/83/41/943638341.db2.gz GMUAHXKJKUNRHO-UONOGXRCSA-N 1 2 278.396 1.215 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC1(C)C ZINC001233673594 943638344 /nfs/dbraw/zinc/63/83/44/943638344.db2.gz GMUAHXKJKUNRHO-UONOGXRCSA-N 1 2 278.396 1.215 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cnoc1C ZINC001233948166 943698052 /nfs/dbraw/zinc/69/80/52/943698052.db2.gz RFMFYRVCADLKJN-OAHLLOKOSA-N 1 2 289.379 1.819 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cnoc1C ZINC001233948166 943698054 /nfs/dbraw/zinc/69/80/54/943698054.db2.gz RFMFYRVCADLKJN-OAHLLOKOSA-N 1 2 289.379 1.819 20 30 CDEDLO Cc1cncc(C[N@H+]2CC[C@H]2CN(C)C(=O)C#CC2CC2)c1 ZINC001234179973 943767749 /nfs/dbraw/zinc/76/77/49/943767749.db2.gz ZEEDZZJORYOCDJ-KRWDZBQOSA-N 1 2 297.402 1.836 20 30 CDEDLO Cc1cncc(C[N@@H+]2CC[C@H]2CN(C)C(=O)C#CC2CC2)c1 ZINC001234179973 943767753 /nfs/dbraw/zinc/76/77/53/943767753.db2.gz ZEEDZZJORYOCDJ-KRWDZBQOSA-N 1 2 297.402 1.836 20 30 CDEDLO CN(C[C@H]1CC[N@@H+]1Cc1cncs1)C(=O)C#CC1CC1 ZINC001234185965 943769402 /nfs/dbraw/zinc/76/94/02/943769402.db2.gz AOUGNHZTODYBIL-CYBMUJFWSA-N 1 2 289.404 1.589 20 30 CDEDLO CN(C[C@H]1CC[N@H+]1Cc1cncs1)C(=O)C#CC1CC1 ZINC001234185965 943769407 /nfs/dbraw/zinc/76/94/07/943769407.db2.gz AOUGNHZTODYBIL-CYBMUJFWSA-N 1 2 289.404 1.589 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001234425654 943834976 /nfs/dbraw/zinc/83/49/76/943834976.db2.gz ORUKESMZTMZWFK-UWVGGRQHSA-N 1 2 282.281 1.996 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001234425654 943834986 /nfs/dbraw/zinc/83/49/86/943834986.db2.gz ORUKESMZTMZWFK-UWVGGRQHSA-N 1 2 282.281 1.996 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001234593704 943907455 /nfs/dbraw/zinc/90/74/55/943907455.db2.gz JGIGALUTMCVBRL-CQSZACIVSA-N 1 2 293.411 1.108 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001234593704 943907461 /nfs/dbraw/zinc/90/74/61/943907461.db2.gz JGIGALUTMCVBRL-CQSZACIVSA-N 1 2 293.411 1.108 20 30 CDEDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)CC#N ZINC000383102757 943953778 /nfs/dbraw/zinc/95/37/78/943953778.db2.gz CEKDDSPXWGVBAO-ZDUSSCGKSA-N 1 2 293.392 1.046 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)CC#N ZINC000383102757 943953783 /nfs/dbraw/zinc/95/37/83/943953783.db2.gz CEKDDSPXWGVBAO-ZDUSSCGKSA-N 1 2 293.392 1.046 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(COC)CCCCC1 ZINC001235088347 944048994 /nfs/dbraw/zinc/04/89/94/944048994.db2.gz GDJAMSXEPYONMC-HNNXBMFYSA-N 1 2 292.423 1.749 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(COC)CCCCC1 ZINC001235088347 944049002 /nfs/dbraw/zinc/04/90/02/944049002.db2.gz GDJAMSXEPYONMC-HNNXBMFYSA-N 1 2 292.423 1.749 20 30 CDEDLO N#CCC[N@H+]1CCCC2(CN(Cc3cccc(=O)[nH]3)C2)C1 ZINC001277939054 944116814 /nfs/dbraw/zinc/11/68/14/944116814.db2.gz MEQCNVNZDUFNFR-UHFFFAOYSA-N 1 2 286.379 1.599 20 30 CDEDLO N#CCC[N@@H+]1CCCC2(CN(Cc3cccc(=O)[nH]3)C2)C1 ZINC001277939054 944116817 /nfs/dbraw/zinc/11/68/17/944116817.db2.gz MEQCNVNZDUFNFR-UHFFFAOYSA-N 1 2 286.379 1.599 20 30 CDEDLO CNC(=O)N1CC[NH+](Cc2ccccc2CC#N)CC1 ZINC001235524467 944187330 /nfs/dbraw/zinc/18/73/30/944187330.db2.gz FPTUTDXKDIBCRV-UHFFFAOYSA-N 1 2 272.352 1.210 20 30 CDEDLO COC1C[NH+](Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237466943 944799511 /nfs/dbraw/zinc/79/95/11/944799511.db2.gz PHPGURMNYIXDFU-UHFFFAOYSA-N 1 2 255.321 1.881 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccn3nccc3c2)CC1 ZINC001237547329 944833897 /nfs/dbraw/zinc/83/38/97/944833897.db2.gz UFNKFNUHSGZYIL-UHFFFAOYSA-N 1 2 298.346 1.613 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC001255166731 947762546 /nfs/dbraw/zinc/76/25/46/947762546.db2.gz PNLBOKNXZYNTRI-UWVGGRQHSA-N 1 2 250.264 1.925 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC001255166731 947762551 /nfs/dbraw/zinc/76/25/51/947762551.db2.gz PNLBOKNXZYNTRI-UWVGGRQHSA-N 1 2 250.264 1.925 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CC2CC1(C(=O)N1CCCC1)C2 ZINC001255170590 947763970 /nfs/dbraw/zinc/76/39/70/947763970.db2.gz VIQMUTIEUCGZJK-OWYJLGKBSA-N 1 2 261.369 1.765 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CC2CC1(C(=O)N1CCCC1)C2 ZINC001255170590 947763977 /nfs/dbraw/zinc/76/39/77/947763977.db2.gz VIQMUTIEUCGZJK-OWYJLGKBSA-N 1 2 261.369 1.765 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CC[C@H](Oc2nc(C)cc(OC)n2)C1 ZINC001255177450 947767628 /nfs/dbraw/zinc/76/76/28/947767628.db2.gz SABQAZISOMAIMN-OLZOCXBDSA-N 1 2 290.367 1.939 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CC[C@H](Oc2nc(C)cc(OC)n2)C1 ZINC001255177450 947767634 /nfs/dbraw/zinc/76/76/34/947767634.db2.gz SABQAZISOMAIMN-OLZOCXBDSA-N 1 2 290.367 1.939 20 30 CDEDLO C#CC[C@H]([NH2+]C1CCC2(COC2)CC1)C(=O)OC ZINC001257901141 948659367 /nfs/dbraw/zinc/65/93/67/948659367.db2.gz XEDOTLGREPJWOJ-LBPRGKRZSA-N 1 2 251.326 1.100 20 30 CDEDLO C=CCCCNC(=S)N(C)CC[NH+]1CCOCC1 ZINC001247697572 948709480 /nfs/dbraw/zinc/70/94/80/948709480.db2.gz XANJENFQAMOALL-UHFFFAOYSA-N 1 2 271.430 1.091 20 30 CDEDLO COC[C@H]([NH3+])c1nc(-c2cc(F)cc(C#N)c2)no1 ZINC001248184574 948958970 /nfs/dbraw/zinc/95/89/70/948958970.db2.gz PDIARCHZAPBEHS-JTQLQIEISA-N 1 2 262.244 1.394 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2cnn3ccc(C#N)cc23)C[C@@H]1F ZINC001249082369 949370429 /nfs/dbraw/zinc/37/04/29/949370429.db2.gz QBVPGUVPEURQRQ-MFKMUULPSA-N 1 2 258.300 1.996 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2cnn3ccc(C#N)cc23)C[C@@H]1F ZINC001249082369 949370452 /nfs/dbraw/zinc/37/04/52/949370452.db2.gz QBVPGUVPEURQRQ-MFKMUULPSA-N 1 2 258.300 1.996 20 30 CDEDLO C=CCOC[C@H](O)C[NH2+]C1(c2ccccc2OC)COC1 ZINC001252492229 951363301 /nfs/dbraw/zinc/36/33/01/951363301.db2.gz BTABLFFXIWSFHG-CYBMUJFWSA-N 1 2 293.363 1.074 20 30 CDEDLO C=C[C@@](C)(O)C[NH+]1CC(Oc2ccccc2F)C1 ZINC001252560286 951455506 /nfs/dbraw/zinc/45/55/06/951455506.db2.gz QQTFYJWYFHIOJD-CQSZACIVSA-N 1 2 251.301 1.826 20 30 CDEDLO C=C[C@H](O)C[N@@H+]1CCc2onc(C(=O)N(C)C(C)C)c2C1 ZINC001253577573 951966408 /nfs/dbraw/zinc/96/64/08/951966408.db2.gz WXNKVMAXMGVVEQ-NSHDSACASA-N 1 2 293.367 1.060 20 30 CDEDLO C=C[C@H](O)C[N@H+]1CCc2onc(C(=O)N(C)C(C)C)c2C1 ZINC001253577573 951966413 /nfs/dbraw/zinc/96/64/13/951966413.db2.gz WXNKVMAXMGVVEQ-NSHDSACASA-N 1 2 293.367 1.060 20 30 CDEDLO C=CC[C@@H](NCc1c[nH+]cn1CC)C(=O)OCC ZINC001325365983 953862885 /nfs/dbraw/zinc/86/28/85/953862885.db2.gz HOTIXCKCEHCWKU-GFCCVEGCSA-N 1 2 251.330 1.500 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc[nH]c(=O)c1)C1CC1 ZINC001493361223 972030540 /nfs/dbraw/zinc/03/05/40/972030540.db2.gz OMDXRGNCDNBDOI-UHFFFAOYSA-N 1 2 295.770 1.734 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc[nH]c(=O)c1)C1CC1 ZINC001493361223 972030549 /nfs/dbraw/zinc/03/05/49/972030549.db2.gz OMDXRGNCDNBDOI-UHFFFAOYSA-N 1 2 295.770 1.734 20 30 CDEDLO Cc1nc([C@@H]2CC[N@H+](Cc3cc(C#N)ccn3)C2)n[nH]1 ZINC001307848358 956445824 /nfs/dbraw/zinc/44/58/24/956445824.db2.gz DZDBACGQILHMAO-GFCCVEGCSA-N 1 2 268.324 1.369 20 30 CDEDLO Cc1nc([C@@H]2CC[N@@H+](Cc3cc(C#N)ccn3)C2)n[nH]1 ZINC001307848358 956445827 /nfs/dbraw/zinc/44/58/27/956445827.db2.gz DZDBACGQILHMAO-GFCCVEGCSA-N 1 2 268.324 1.369 20 30 CDEDLO CC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1nc(C)sc1C ZINC001366602140 957023819 /nfs/dbraw/zinc/02/38/19/957023819.db2.gz AMLHKFZXAHFTGZ-JTQLQIEISA-N 1 2 294.424 1.858 20 30 CDEDLO CC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1nc(C)sc1C ZINC001366602140 957023832 /nfs/dbraw/zinc/02/38/32/957023832.db2.gz AMLHKFZXAHFTGZ-JTQLQIEISA-N 1 2 294.424 1.858 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)OCC[C@H](C)C(C)=O)CC1 ZINC001333195957 958148005 /nfs/dbraw/zinc/14/80/05/958148005.db2.gz SNXVCEUELOUKET-LBPRGKRZSA-N 1 2 265.353 1.490 20 30 CDEDLO C=CCn1cnn(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c1=S ZINC001319547076 958622419 /nfs/dbraw/zinc/62/24/19/958622419.db2.gz RGKATGWIYHHFLP-NEPJUHHUSA-N 1 2 282.413 1.793 20 30 CDEDLO C=CCn1cnn(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c1=S ZINC001319547076 958622422 /nfs/dbraw/zinc/62/24/22/958622422.db2.gz RGKATGWIYHHFLP-NEPJUHHUSA-N 1 2 282.413 1.793 20 30 CDEDLO N#Cc1csc(C[NH2+]Cc2nnc3n2CCOC3)c1 ZINC001434509607 961585617 /nfs/dbraw/zinc/58/56/17/961585617.db2.gz GAULTBNDJITXPF-UHFFFAOYSA-N 1 2 275.337 1.031 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2nc(C)cs2)C1 ZINC001339196162 962236170 /nfs/dbraw/zinc/23/61/70/962236170.db2.gz SKWZRYHSDCIWOW-LLVKDONJSA-N 1 2 263.366 1.279 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2nc(C)cs2)C1 ZINC001339196162 962236186 /nfs/dbraw/zinc/23/61/86/962236186.db2.gz SKWZRYHSDCIWOW-LLVKDONJSA-N 1 2 263.366 1.279 20 30 CDEDLO C=C(Cl)CN(C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001420252766 962631618 /nfs/dbraw/zinc/63/16/18/962631618.db2.gz JVPMYFJQXUMZHQ-LBPRGKRZSA-N 1 2 296.802 1.246 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(=O)n(C)c1 ZINC001420600372 963109226 /nfs/dbraw/zinc/10/92/26/963109226.db2.gz YQMMRGKKVLVPKD-LLVKDONJSA-N 1 2 297.786 1.188 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(=O)n(C)c1 ZINC001420600372 963109233 /nfs/dbraw/zinc/10/92/33/963109233.db2.gz YQMMRGKKVLVPKD-LLVKDONJSA-N 1 2 297.786 1.188 20 30 CDEDLO C=C(Cl)CN1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001438200063 963362235 /nfs/dbraw/zinc/36/22/35/963362235.db2.gz STVAGMLQXLVSEG-LBPRGKRZSA-N 1 2 296.802 1.296 20 30 CDEDLO C#C[C@H](C)N(C)c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1C ZINC001341798013 963544869 /nfs/dbraw/zinc/54/48/69/963544869.db2.gz RUULBRBUUMMPDS-QWHCGFSZSA-N 1 2 291.399 1.055 20 30 CDEDLO C#C[C@H](C)N(C)c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1C ZINC001341798013 963544873 /nfs/dbraw/zinc/54/48/73/963544873.db2.gz RUULBRBUUMMPDS-QWHCGFSZSA-N 1 2 291.399 1.055 20 30 CDEDLO CCN(CCNC(=O)c1c[nH]c(C#N)c1)c1cc[nH+]c(C)n1 ZINC001100492859 968507415 /nfs/dbraw/zinc/50/74/15/968507415.db2.gz TYBLZZHLVGXGLV-UHFFFAOYSA-N 1 2 298.350 1.241 20 30 CDEDLO Cn1cc[nH+]c1CCC(=O)N[C@H](C#N)c1ccc(F)cc1 ZINC001527419761 968682911 /nfs/dbraw/zinc/68/29/11/968682911.db2.gz ANNDSJCFSBYVIR-CYBMUJFWSA-N 1 2 286.310 1.873 20 30 CDEDLO N#Cc1ccc(NC2CC[NH+]([C@H]3CCOC3=O)CC2)nc1 ZINC001458262404 969275856 /nfs/dbraw/zinc/27/58/56/969275856.db2.gz BKBWJHZKMZALKH-ZDUSSCGKSA-N 1 2 286.335 1.145 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CC=CCC3)n2C)CC1 ZINC001519591757 970096756 /nfs/dbraw/zinc/09/67/56/970096756.db2.gz VKLOTDFUBBXOTB-CQSZACIVSA-N 1 2 285.395 1.394 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)Nc1cccc(OCC#N)c1 ZINC001361658327 970390083 /nfs/dbraw/zinc/39/00/83/970390083.db2.gz YSTHZYKRZTUATR-UHFFFAOYSA-N 1 2 270.292 1.504 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccnn1C(C)C ZINC001418461715 973866313 /nfs/dbraw/zinc/86/63/13/973866313.db2.gz UQYJMEMBRKOSCR-UHFFFAOYSA-N 1 2 284.791 1.878 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccnn1C(C)C ZINC001418461715 973866324 /nfs/dbraw/zinc/86/63/24/973866324.db2.gz UQYJMEMBRKOSCR-UHFFFAOYSA-N 1 2 284.791 1.878 20 30 CDEDLO CC[N@H+](CCNC(=O)[C@@H](C)C#N)[C@@H](C)c1ncc(C)o1 ZINC001377291839 974961016 /nfs/dbraw/zinc/96/10/16/974961016.db2.gz LLZYSPZJGDBKSL-JQWIXIFHSA-N 1 2 278.356 1.642 20 30 CDEDLO CC[N@@H+](CCNC(=O)[C@@H](C)C#N)[C@@H](C)c1ncc(C)o1 ZINC001377291839 974961021 /nfs/dbraw/zinc/96/10/21/974961021.db2.gz LLZYSPZJGDBKSL-JQWIXIFHSA-N 1 2 278.356 1.642 20 30 CDEDLO CCc1nocc1C[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N ZINC001379030987 975605628 /nfs/dbraw/zinc/60/56/28/975605628.db2.gz FCBSEYSYJMYSOF-NSHDSACASA-N 1 2 278.356 1.287 20 30 CDEDLO CCc1nocc1C[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N ZINC001379030987 975605633 /nfs/dbraw/zinc/60/56/33/975605633.db2.gz FCBSEYSYJMYSOF-NSHDSACASA-N 1 2 278.356 1.287 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCc1cncnc1 ZINC001401380094 975630619 /nfs/dbraw/zinc/63/06/19/975630619.db2.gz OMYCIQUQCGXQKS-UHFFFAOYSA-N 1 2 296.802 1.552 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCc1cncnc1 ZINC001401380094 975630623 /nfs/dbraw/zinc/63/06/23/975630623.db2.gz OMYCIQUQCGXQKS-UHFFFAOYSA-N 1 2 296.802 1.552 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ocnc1C ZINC001390896389 976593765 /nfs/dbraw/zinc/59/37/65/976593765.db2.gz AKILDGHUZSHWJQ-UHFFFAOYSA-N 1 2 271.748 1.787 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ocnc1C ZINC001390896389 976593777 /nfs/dbraw/zinc/59/37/77/976593777.db2.gz AKILDGHUZSHWJQ-UHFFFAOYSA-N 1 2 271.748 1.787 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(F)c[nH]1 ZINC001392670782 977538313 /nfs/dbraw/zinc/53/83/13/977538313.db2.gz JBTDXDXRLVWECO-VIFPVBQESA-N 1 2 273.739 1.956 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc(F)c[nH]1 ZINC001392670782 977538319 /nfs/dbraw/zinc/53/83/19/977538319.db2.gz JBTDXDXRLVWECO-VIFPVBQESA-N 1 2 273.739 1.956 20 30 CDEDLO C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(C(=O)[O-])co1 ZINC001588463638 983491769 /nfs/dbraw/zinc/49/17/69/983491769.db2.gz GURSFADNEXLUGF-LLVKDONJSA-N 1 2 264.325 1.584 20 30 CDEDLO C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(C(=O)[O-])co1 ZINC001588463638 983491770 /nfs/dbraw/zinc/49/17/70/983491770.db2.gz GURSFADNEXLUGF-LLVKDONJSA-N 1 2 264.325 1.584 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000588206841 342494188 /nfs/dbraw/zinc/49/41/88/342494188.db2.gz NKYDALNDBMABKD-ZIAGYGMSSA-N 1 2 276.336 1.400 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000588206841 342494189 /nfs/dbraw/zinc/49/41/89/342494189.db2.gz NKYDALNDBMABKD-ZIAGYGMSSA-N 1 2 276.336 1.400 20 30 CDEDLO COc1cc[nH+]cc1NC(=O)c1cccc(C#N)n1 ZINC000589453890 342506174 /nfs/dbraw/zinc/50/61/74/342506174.db2.gz GISLWTWTBOUGCX-UHFFFAOYSA-N 1 2 254.249 1.609 20 30 CDEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000351606452 361797093 /nfs/dbraw/zinc/79/70/93/361797093.db2.gz CQYUVDGAXBVWIH-GFCCVEGCSA-N 1 2 261.325 1.730 20 30 CDEDLO C=CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000026518023 342055553 /nfs/dbraw/zinc/05/55/53/342055553.db2.gz UUNYCEPLFISCDP-UHFFFAOYSA-N 1 2 284.363 1.571 20 30 CDEDLO COCC[N@H+](CCCC#N)CC(=O)OC(C)(C)C ZINC000609195157 342094528 /nfs/dbraw/zinc/09/45/28/342094528.db2.gz PNOIBOVOKXHLEN-UHFFFAOYSA-N 1 2 256.346 1.580 20 30 CDEDLO COCC[N@@H+](CCCC#N)CC(=O)OC(C)(C)C ZINC000609195157 342094529 /nfs/dbraw/zinc/09/45/29/342094529.db2.gz PNOIBOVOKXHLEN-UHFFFAOYSA-N 1 2 256.346 1.580 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)NCc1ccc(C#N)cc1F ZINC000609253063 342099022 /nfs/dbraw/zinc/09/90/22/342099022.db2.gz QKIWVHVJOFWBPW-UHFFFAOYSA-N 1 2 287.298 1.430 20 30 CDEDLO COCC[N@@H+](CCC#N)CCOc1ccc(C#N)cc1 ZINC000071223949 342144735 /nfs/dbraw/zinc/14/47/35/342144735.db2.gz SQWBVPQLWCCJSP-UHFFFAOYSA-N 1 2 273.336 1.799 20 30 CDEDLO COCC[N@H+](CCC#N)CCOc1ccc(C#N)cc1 ZINC000071223949 342144736 /nfs/dbraw/zinc/14/47/36/342144736.db2.gz SQWBVPQLWCCJSP-UHFFFAOYSA-N 1 2 273.336 1.799 20 30 CDEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCOCCC#N ZINC000592142356 342672837 /nfs/dbraw/zinc/67/28/37/342672837.db2.gz VIZCUIKWKUTEDD-HNNXBMFYSA-N 1 2 287.363 1.090 20 30 CDEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCOCCC#N ZINC000592142356 342672838 /nfs/dbraw/zinc/67/28/38/342672838.db2.gz VIZCUIKWKUTEDD-HNNXBMFYSA-N 1 2 287.363 1.090 20 30 CDEDLO Cc1ccccc1-c1noc(C[N@@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592147384 342667741 /nfs/dbraw/zinc/66/77/41/342667741.db2.gz LBUDTOWCNMQBTJ-INIZCTEOSA-N 1 2 298.346 1.896 20 30 CDEDLO Cc1ccccc1-c1noc(C[N@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592147384 342667742 /nfs/dbraw/zinc/66/77/42/342667742.db2.gz LBUDTOWCNMQBTJ-INIZCTEOSA-N 1 2 298.346 1.896 20 30 CDEDLO COC(=O)c1oc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1C ZINC000592147537 342668167 /nfs/dbraw/zinc/66/81/67/342668167.db2.gz PWPDIHPKIDSPIS-AWEZNQCLSA-N 1 2 278.308 1.225 20 30 CDEDLO COC(=O)c1oc(C[N@H+]2CC[C@@](O)(CC#N)C2)cc1C ZINC000592147537 342668168 /nfs/dbraw/zinc/66/81/68/342668168.db2.gz PWPDIHPKIDSPIS-AWEZNQCLSA-N 1 2 278.308 1.225 20 30 CDEDLO CCc1ccc(NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592149858 342668577 /nfs/dbraw/zinc/66/85/77/342668577.db2.gz YFSOHSODHBRXLY-MRXNPFEDSA-N 1 2 287.363 1.538 20 30 CDEDLO CCc1ccc(NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592149858 342668578 /nfs/dbraw/zinc/66/85/78/342668578.db2.gz YFSOHSODHBRXLY-MRXNPFEDSA-N 1 2 287.363 1.538 20 30 CDEDLO CC1(C)C[N@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000592497887 342697435 /nfs/dbraw/zinc/69/74/35/342697435.db2.gz FWMBWGUAHWCRFP-UHFFFAOYSA-N 1 2 271.324 1.212 20 30 CDEDLO CC1(C)C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000592497887 342697437 /nfs/dbraw/zinc/69/74/37/342697437.db2.gz FWMBWGUAHWCRFP-UHFFFAOYSA-N 1 2 271.324 1.212 20 30 CDEDLO CC(C)Oc1cncc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000593154289 342774237 /nfs/dbraw/zinc/77/42/37/342774237.db2.gz FQMXDHKXMDCSMC-OAHLLOKOSA-N 1 2 290.367 1.442 20 30 CDEDLO Cc1noc(C)c1[C@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593154279 342774251 /nfs/dbraw/zinc/77/42/51/342774251.db2.gz CQVGRNWDGSXQTJ-XPTSAGLGSA-N 1 2 278.356 1.355 20 30 CDEDLO Cc1ccc(C)c(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000593154269 342774257 /nfs/dbraw/zinc/77/42/57/342774257.db2.gz CLRKUHGFCMORBF-INIZCTEOSA-N 1 2 273.380 1.806 20 30 CDEDLO CC[C@@H](C#N)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000593448309 342798565 /nfs/dbraw/zinc/79/85/65/342798565.db2.gz PSAQEWXHQMTVKM-VIFPVBQESA-N 1 2 288.273 1.954 20 30 CDEDLO Cc1ccc(C[NH+]2CCC(S(C)(=O)=O)CC2)cc1C#N ZINC000599311527 344004377 /nfs/dbraw/zinc/00/43/77/344004377.db2.gz JLGHSLNMLLXPHT-UHFFFAOYSA-N 1 2 292.404 1.876 20 30 CDEDLO CC[C@@H](C#N)C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000593735392 342830834 /nfs/dbraw/zinc/83/08/34/342830834.db2.gz XPOXOYVLVHUQFW-QWRGUYRKSA-N 1 2 260.341 1.879 20 30 CDEDLO C=CCn1cccc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000562923295 361988528 /nfs/dbraw/zinc/98/85/28/361988528.db2.gz JHNITFUZLXEZCB-UHFFFAOYSA-N 1 2 256.309 1.568 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CCCCCC#N ZINC000588724152 342220206 /nfs/dbraw/zinc/22/02/06/342220206.db2.gz KJVZCWPIGXOHPS-CQSZACIVSA-N 1 2 281.400 1.640 20 30 CDEDLO C=CCCNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000665941502 539079625 /nfs/dbraw/zinc/07/96/25/539079625.db2.gz ZPWFZYKTYIZCDF-UHFFFAOYSA-N 1 2 281.400 1.316 20 30 CDEDLO CC#CC[NH2+]Cc1cn(-c2ccsc2C(=O)OC)nn1 ZINC000594646252 342930823 /nfs/dbraw/zinc/93/08/23/342930823.db2.gz VGALZZKVWPDFCQ-UHFFFAOYSA-N 1 2 290.348 1.228 20 30 CDEDLO COC(=O)c1cccc(CN(C)Cc2[nH]cc[nH+]2)c1C#N ZINC000595398799 343048013 /nfs/dbraw/zinc/04/80/13/343048013.db2.gz BUPSVZAWTJFKTE-UHFFFAOYSA-N 1 2 284.319 1.700 20 30 CDEDLO Cn1cc(N2CC[C@@H]([N@@H+]3CCC[C@@H](CC#N)C3)C2=O)cn1 ZINC000595616568 343110215 /nfs/dbraw/zinc/11/02/15/343110215.db2.gz UYPITMRKFLQSDT-GXTWGEPZSA-N 1 2 287.367 1.151 20 30 CDEDLO Cn1cc(N2CC[C@@H]([N@H+]3CCC[C@@H](CC#N)C3)C2=O)cn1 ZINC000595616568 343110217 /nfs/dbraw/zinc/11/02/17/343110217.db2.gz UYPITMRKFLQSDT-GXTWGEPZSA-N 1 2 287.367 1.151 20 30 CDEDLO CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595618241 343110398 /nfs/dbraw/zinc/11/03/98/343110398.db2.gz ZQNYJRSUOKXZQM-ZDUSSCGKSA-N 1 2 272.414 1.825 20 30 CDEDLO CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595618241 343110399 /nfs/dbraw/zinc/11/03/99/343110399.db2.gz ZQNYJRSUOKXZQM-ZDUSSCGKSA-N 1 2 272.414 1.825 20 30 CDEDLO CN(CC(=O)NCc1ccc(C#N)cc1)Cc1c[nH+]c[nH]1 ZINC000595595436 343113906 /nfs/dbraw/zinc/11/39/06/343113906.db2.gz IBSGXBXRUIIKMN-UHFFFAOYSA-N 1 2 283.335 1.030 20 30 CDEDLO CN(CC(=O)NCc1ccc(C#N)cc1)Cc1c[nH]c[nH+]1 ZINC000595595436 343113907 /nfs/dbraw/zinc/11/39/07/343113907.db2.gz IBSGXBXRUIIKMN-UHFFFAOYSA-N 1 2 283.335 1.030 20 30 CDEDLO N#CC1(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000619545633 349796711 /nfs/dbraw/zinc/79/67/11/349796711.db2.gz IKHJGXFUDYQUPY-CQSZACIVSA-N 1 2 284.363 1.466 20 30 CDEDLO C=C(Cl)CNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000077790472 342332171 /nfs/dbraw/zinc/33/21/71/342332171.db2.gz OBOWVHJAAYNXOD-UHFFFAOYSA-N 1 2 294.786 1.661 20 30 CDEDLO N#CC1(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000619545633 349796712 /nfs/dbraw/zinc/79/67/12/349796712.db2.gz IKHJGXFUDYQUPY-CQSZACIVSA-N 1 2 284.363 1.466 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1cn(C)nn1 ZINC000595759008 343143176 /nfs/dbraw/zinc/14/31/76/343143176.db2.gz MTWYQMGQAUIAPW-UHFFFAOYSA-N 1 2 255.325 1.627 20 30 CDEDLO Cc1cc(C#N)ccc1C[N@H+](C)Cc1cn(C)nn1 ZINC000595759008 343143177 /nfs/dbraw/zinc/14/31/77/343143177.db2.gz MTWYQMGQAUIAPW-UHFFFAOYSA-N 1 2 255.325 1.627 20 30 CDEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCC#N)cc1F ZINC000595753094 343153191 /nfs/dbraw/zinc/15/31/91/343153191.db2.gz PFXABAJRFYNNTH-CYBMUJFWSA-N 1 2 291.326 1.611 20 30 CDEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)NCC#N)cc1F ZINC000595753094 343153193 /nfs/dbraw/zinc/15/31/93/343153193.db2.gz PFXABAJRFYNNTH-CYBMUJFWSA-N 1 2 291.326 1.611 20 30 CDEDLO N#Cc1cnnc(NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000596072797 343225566 /nfs/dbraw/zinc/22/55/66/343225566.db2.gz IIUWMSVNODZIOR-UHFFFAOYSA-N 1 2 280.335 1.377 20 30 CDEDLO COc1c(C#N)ccc(=O)n1Cc1[nH+]ccn1C(F)F ZINC000596283163 343287794 /nfs/dbraw/zinc/28/77/94/343287794.db2.gz ULYVLZOOWWCUGR-UHFFFAOYSA-N 1 2 280.234 1.368 20 30 CDEDLO Cn1ncc(C#N)c1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000596214714 343268223 /nfs/dbraw/zinc/26/82/23/343268223.db2.gz KHSMDLKTLZZKTB-CYBMUJFWSA-N 1 2 269.308 1.344 20 30 CDEDLO C#CC[N@@H+](Cc1nc(N)nc(N(C)C)n1)C1CCCCC1 ZINC000083169549 342377714 /nfs/dbraw/zinc/37/77/14/342377714.db2.gz UJWKNTHIBJQIGT-UHFFFAOYSA-N 1 2 288.399 1.288 20 30 CDEDLO C#CC[N@H+](Cc1nc(N)nc(N(C)C)n1)C1CCCCC1 ZINC000083169549 342377715 /nfs/dbraw/zinc/37/77/15/342377715.db2.gz UJWKNTHIBJQIGT-UHFFFAOYSA-N 1 2 288.399 1.288 20 30 CDEDLO CCc1nc(C#N)cc(N[C@H]2C[C@H](C)n3cc[nH+]c32)n1 ZINC000596258175 343276754 /nfs/dbraw/zinc/27/67/54/343276754.db2.gz WIGHYGSYDDEWME-ONGXEEELSA-N 1 2 268.324 1.647 20 30 CDEDLO Cc1ccnc(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c1C#N ZINC000596426449 343312037 /nfs/dbraw/zinc/31/20/37/343312037.db2.gz ABEKLNDXKIZBGL-CHWSQXEVSA-N 1 2 274.368 1.783 20 30 CDEDLO Cc1ccnc(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c1C#N ZINC000596426449 343312039 /nfs/dbraw/zinc/31/20/39/343312039.db2.gz ABEKLNDXKIZBGL-CHWSQXEVSA-N 1 2 274.368 1.783 20 30 CDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2ncccc2F)CC1 ZINC000090632143 342396673 /nfs/dbraw/zinc/39/66/73/342396673.db2.gz IVVUBOCTEMPRRT-LBPRGKRZSA-N 1 2 292.358 1.033 20 30 CDEDLO Cc1cc(NC(=O)N2CCC[C@H](CC#N)C2)cc[nH+]1 ZINC000596817129 343398931 /nfs/dbraw/zinc/39/89/31/343398931.db2.gz LWUHEWYPAJAVES-GFCCVEGCSA-N 1 2 258.325 1.970 20 30 CDEDLO Cc1cnn(C)c1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000289157748 136399692 /nfs/dbraw/zinc/39/96/92/136399692.db2.gz QSSMZKGKHYNVBP-UHFFFAOYSA-N 1 2 295.390 1.922 20 30 CDEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000597229218 343488070 /nfs/dbraw/zinc/48/80/70/343488070.db2.gz JSKLIKRUYOKLFO-CQSZACIVSA-N 1 2 293.392 1.794 20 30 CDEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000597229218 343488072 /nfs/dbraw/zinc/48/80/72/343488072.db2.gz JSKLIKRUYOKLFO-CQSZACIVSA-N 1 2 293.392 1.794 20 30 CDEDLO COC(=O)c1cc(C[N@@H+]2CC[C@](C)(C#N)C2)cn1C ZINC000597232373 343489022 /nfs/dbraw/zinc/48/90/22/343489022.db2.gz UAAHCRANZLTMAQ-CQSZACIVSA-N 1 2 261.325 1.547 20 30 CDEDLO COC(=O)c1cc(C[N@H+]2CC[C@](C)(C#N)C2)cn1C ZINC000597232373 343489023 /nfs/dbraw/zinc/48/90/23/343489023.db2.gz UAAHCRANZLTMAQ-CQSZACIVSA-N 1 2 261.325 1.547 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)c2ccc(C#N)s2)[C@@H](C)CO1 ZINC000598001349 343686330 /nfs/dbraw/zinc/68/63/30/343686330.db2.gz ZLAOYLCHRVFOPZ-QWRGUYRKSA-N 1 2 293.392 1.459 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc(C#N)s2)[C@@H](C)CO1 ZINC000598001349 343686333 /nfs/dbraw/zinc/68/63/33/343686333.db2.gz ZLAOYLCHRVFOPZ-QWRGUYRKSA-N 1 2 293.392 1.459 20 30 CDEDLO C[C@@H]1C[N@H+](CCN2CCC[C@](C)(C#N)C2)CCO1 ZINC000619720364 349870325 /nfs/dbraw/zinc/87/03/25/349870325.db2.gz DSCSPJZPNOBAHM-ZIAGYGMSSA-N 1 2 251.374 1.333 20 30 CDEDLO C[C@@H]1C[N@@H+](CCN2CCC[C@](C)(C#N)C2)CCO1 ZINC000619720364 349870327 /nfs/dbraw/zinc/87/03/27/349870327.db2.gz DSCSPJZPNOBAHM-ZIAGYGMSSA-N 1 2 251.374 1.333 20 30 CDEDLO C[C@@H]1CN(CC[N@@H+]2CCC[C@](C)(C#N)C2)CCO1 ZINC000619720364 349870330 /nfs/dbraw/zinc/87/03/30/349870330.db2.gz DSCSPJZPNOBAHM-ZIAGYGMSSA-N 1 2 251.374 1.333 20 30 CDEDLO C[C@@H]1CN(CC[N@H+]2CCC[C@](C)(C#N)C2)CCO1 ZINC000619720364 349870333 /nfs/dbraw/zinc/87/03/33/349870333.db2.gz DSCSPJZPNOBAHM-ZIAGYGMSSA-N 1 2 251.374 1.333 20 30 CDEDLO CN(CCC#N)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000352750276 529867598 /nfs/dbraw/zinc/86/75/98/529867598.db2.gz VTWXOIKMVFONBE-UHFFFAOYSA-N 1 2 284.323 1.704 20 30 CDEDLO COCC[N@H+](CCC#N)C[C@H](O)CC(C)(C)C#N ZINC000598592015 343837976 /nfs/dbraw/zinc/83/79/76/343837976.db2.gz DRFPNXKMEWDTJY-GFCCVEGCSA-N 1 2 253.346 1.149 20 30 CDEDLO COCC[N@@H+](CCC#N)C[C@H](O)CC(C)(C)C#N ZINC000598592015 343837978 /nfs/dbraw/zinc/83/79/78/343837978.db2.gz DRFPNXKMEWDTJY-GFCCVEGCSA-N 1 2 253.346 1.149 20 30 CDEDLO Cc1nc([C@@H]2CCC[N@@H+]2C[C@@H](O)CC(C)(C)C#N)no1 ZINC000598591662 343838273 /nfs/dbraw/zinc/83/82/73/343838273.db2.gz XYIMLKZSBCZBOK-RYUDHWBXSA-N 1 2 278.356 1.816 20 30 CDEDLO Cc1nc([C@@H]2CCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)no1 ZINC000598591662 343838275 /nfs/dbraw/zinc/83/82/75/343838275.db2.gz XYIMLKZSBCZBOK-RYUDHWBXSA-N 1 2 278.356 1.816 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000598605630 343851719 /nfs/dbraw/zinc/85/17/19/343851719.db2.gz CHVKPQJSJANCTR-BBATYDOGSA-N 1 2 272.414 1.130 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CC[S@@](=O)CC1(C)C ZINC000598605630 343851723 /nfs/dbraw/zinc/85/17/23/343851723.db2.gz CHVKPQJSJANCTR-BBATYDOGSA-N 1 2 272.414 1.130 20 30 CDEDLO C[N@@H+]1CCOC[C@@H]1CNc1cc(C#N)c2ccccc2n1 ZINC000599160954 343970889 /nfs/dbraw/zinc/97/08/89/343970889.db2.gz MPUGQBNXDWZVRU-ZDUSSCGKSA-N 1 2 282.347 1.271 20 30 CDEDLO C[N@H+]1CCOC[C@@H]1CNc1cc(C#N)c2ccccc2n1 ZINC000599160954 343970891 /nfs/dbraw/zinc/97/08/91/343970891.db2.gz MPUGQBNXDWZVRU-ZDUSSCGKSA-N 1 2 282.347 1.271 20 30 CDEDLO Cc1[nH]c(C(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2C)c[nH+]1 ZINC000328609915 362306879 /nfs/dbraw/zinc/30/68/79/362306879.db2.gz GCXFOMCHJFMNGD-WCQYABFASA-N 1 2 289.339 1.595 20 30 CDEDLO COCC[N@H+](CCC#N)CCN(C)c1ccccc1 ZINC000085823205 344159985 /nfs/dbraw/zinc/15/99/85/344159985.db2.gz HFKZGABWPVRWSI-UHFFFAOYSA-N 1 2 261.369 1.985 20 30 CDEDLO COCC[N@@H+](CCC#N)CCN(C)c1ccccc1 ZINC000085823205 344159988 /nfs/dbraw/zinc/15/99/88/344159988.db2.gz HFKZGABWPVRWSI-UHFFFAOYSA-N 1 2 261.369 1.985 20 30 CDEDLO CCC[C@@H](C#N)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000602089171 344330990 /nfs/dbraw/zinc/33/09/90/344330990.db2.gz RSDYXWOAQWJIQL-NSHDSACASA-N 1 2 284.319 2.000 20 30 CDEDLO COCCN(CCC#N)C(=O)c1ccc2[nH+]ccn2c1 ZINC000609471416 344485489 /nfs/dbraw/zinc/48/54/89/344485489.db2.gz GYSJALTYFBTLGH-UHFFFAOYSA-N 1 2 272.308 1.337 20 30 CDEDLO N#CCC1(C[N@@H+]2CCc3ccccc3[C@@H]2C(N)=O)CC1 ZINC000602791629 344584947 /nfs/dbraw/zinc/58/49/47/344584947.db2.gz GPGIQMPOXOWAHO-CQSZACIVSA-N 1 2 269.348 1.765 20 30 CDEDLO N#CCC1(C[N@H+]2CCc3ccccc3[C@@H]2C(N)=O)CC1 ZINC000602791629 344584949 /nfs/dbraw/zinc/58/49/49/344584949.db2.gz GPGIQMPOXOWAHO-CQSZACIVSA-N 1 2 269.348 1.765 20 30 CDEDLO CC(C)CN1CC[N@H+](CC2(CC#N)CC2)[C@H](C)C1=O ZINC000602810644 344602692 /nfs/dbraw/zinc/60/26/92/344602692.db2.gz HSVOMUJBLLIRKQ-CYBMUJFWSA-N 1 2 263.385 1.869 20 30 CDEDLO CC(C)CN1CC[N@@H+](CC2(CC#N)CC2)[C@H](C)C1=O ZINC000602810644 344602696 /nfs/dbraw/zinc/60/26/96/344602696.db2.gz HSVOMUJBLLIRKQ-CYBMUJFWSA-N 1 2 263.385 1.869 20 30 CDEDLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612159710 347063951 /nfs/dbraw/zinc/06/39/51/347063951.db2.gz YIRPWRUXCWCFAH-TZMCWYRMSA-N 1 2 251.374 1.773 20 30 CDEDLO CC(C)CNC(=O)[C@@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612159710 347063954 /nfs/dbraw/zinc/06/39/54/347063954.db2.gz YIRPWRUXCWCFAH-TZMCWYRMSA-N 1 2 251.374 1.773 20 30 CDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000602866081 344638792 /nfs/dbraw/zinc/63/87/92/344638792.db2.gz YDYHRZNRSSBKIU-RNJOBUHISA-N 1 2 251.374 1.771 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164433 347066634 /nfs/dbraw/zinc/06/66/34/347066634.db2.gz BZXSGNMFGFHLSQ-JSGCOSHPSA-N 1 2 262.357 1.373 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164433 347066636 /nfs/dbraw/zinc/06/66/36/347066636.db2.gz BZXSGNMFGFHLSQ-JSGCOSHPSA-N 1 2 262.357 1.373 20 30 CDEDLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CCOc1ccccc1C#N ZINC000129228817 362535071 /nfs/dbraw/zinc/53/50/71/362535071.db2.gz NWNBMACAYZUHEB-GXTWGEPZSA-N 1 2 276.336 1.019 20 30 CDEDLO C[C@H]1CO[C@@H](CO)C[N@H+]1CCOc1ccccc1C#N ZINC000129228817 362535072 /nfs/dbraw/zinc/53/50/72/362535072.db2.gz NWNBMACAYZUHEB-GXTWGEPZSA-N 1 2 276.336 1.019 20 30 CDEDLO Cc1onc(CC(=O)NCCCCn2cc[nH+]c2)c1C#N ZINC000542786575 362612917 /nfs/dbraw/zinc/61/29/17/362612917.db2.gz IXVOQCCBNWOPNS-UHFFFAOYSA-N 1 2 287.323 1.190 20 30 CDEDLO C=CCn1cccc1C(=O)N1CCn2cc[nH+]c2C1 ZINC000335825016 345748002 /nfs/dbraw/zinc/74/80/02/345748002.db2.gz VYPATGGASIKCMY-UHFFFAOYSA-N 1 2 256.309 1.527 20 30 CDEDLO C=CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@@H](C)COC ZINC000617584644 345870775 /nfs/dbraw/zinc/87/07/75/345870775.db2.gz HSRLUYRPBHRUMR-OLZOCXBDSA-N 1 2 265.357 1.884 20 30 CDEDLO C=CCCNC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000617618214 345879797 /nfs/dbraw/zinc/87/97/97/345879797.db2.gz HJDYCXSIGVHEKZ-STQMWFEESA-N 1 2 254.374 1.568 20 30 CDEDLO C=CCCNC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000617618214 345879800 /nfs/dbraw/zinc/87/98/00/345879800.db2.gz HJDYCXSIGVHEKZ-STQMWFEESA-N 1 2 254.374 1.568 20 30 CDEDLO C=CC[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2CC)C1 ZINC000617781097 345970865 /nfs/dbraw/zinc/97/08/65/345970865.db2.gz FAYNBDGBDPZYJG-KGLIPLIRSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2CC)C1 ZINC000617781097 345970866 /nfs/dbraw/zinc/97/08/66/345970866.db2.gz FAYNBDGBDPZYJG-KGLIPLIRSA-N 1 2 266.385 1.522 20 30 CDEDLO C#CCO[C@H](C)C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000295140835 199368285 /nfs/dbraw/zinc/36/82/85/199368285.db2.gz CEEMBJDTPHLBMG-SNVBAGLBSA-N 1 2 286.335 1.606 20 30 CDEDLO C#CCOc1ccccc1C[NH2+]Cc1cnn(C)n1 ZINC000289966769 362675541 /nfs/dbraw/zinc/67/55/41/362675541.db2.gz CUUFOBBUAZEQPS-UHFFFAOYSA-N 1 2 256.309 1.117 20 30 CDEDLO CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611174790 346628133 /nfs/dbraw/zinc/62/81/33/346628133.db2.gz MXKBJSSDLYZJQL-UONOGXRCSA-N 1 2 280.416 1.211 20 30 CDEDLO Cc1nc(C[NH+]2CCN(CCC#N)CC2)sc1C ZINC000611175592 346631882 /nfs/dbraw/zinc/63/18/82/346631882.db2.gz HFJPUFXPYNBJPL-UHFFFAOYSA-N 1 2 264.398 1.791 20 30 CDEDLO COCC#CC[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000611194679 346690509 /nfs/dbraw/zinc/69/05/09/346690509.db2.gz VQNJWGXMLBDSEI-UHFFFAOYSA-N 1 2 283.375 1.326 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNc1cnccc1C#N ZINC000611281056 346734990 /nfs/dbraw/zinc/73/49/90/346734990.db2.gz CGUWKMJDKDVKQC-UHFFFAOYSA-N 1 2 260.341 1.476 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNc1cnccc1C#N ZINC000611281056 346734992 /nfs/dbraw/zinc/73/49/92/346734992.db2.gz CGUWKMJDKDVKQC-UHFFFAOYSA-N 1 2 260.341 1.476 20 30 CDEDLO CCOC[C@H](C(=O)OC)[N@H+](C)CCC(C)(C)C#N ZINC000611462786 346792485 /nfs/dbraw/zinc/79/24/85/346792485.db2.gz XDQKSLBPKZLWBZ-LLVKDONJSA-N 1 2 256.346 1.436 20 30 CDEDLO CCOC[C@H](C(=O)OC)[N@@H+](C)CCC(C)(C)C#N ZINC000611462786 346792489 /nfs/dbraw/zinc/79/24/89/346792489.db2.gz XDQKSLBPKZLWBZ-LLVKDONJSA-N 1 2 256.346 1.436 20 30 CDEDLO C[NH+]1CCC(C#N)(NC(=O)c2ccc(O)c(F)c2)CC1 ZINC000613505091 347765014 /nfs/dbraw/zinc/76/50/14/347765014.db2.gz ZGPRYANLUOJDFX-UHFFFAOYSA-N 1 2 277.299 1.249 20 30 CDEDLO CC[NH+]1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000614357312 348087267 /nfs/dbraw/zinc/08/72/67/348087267.db2.gz ZSMYAHGFWVNZAG-UHFFFAOYSA-N 1 2 259.309 1.042 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000619722534 348215580 /nfs/dbraw/zinc/21/55/80/348215580.db2.gz LZFNLILJIKQIRK-ZDUSSCGKSA-N 1 2 279.384 1.885 20 30 CDEDLO Cc1ccc(F)c(OC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000414119276 362926001 /nfs/dbraw/zinc/92/60/01/362926001.db2.gz CSKVEDJJOLVGTK-LBPRGKRZSA-N 1 2 266.316 1.719 20 30 CDEDLO Cc1ccc(F)c(OC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414119276 362926003 /nfs/dbraw/zinc/92/60/03/362926003.db2.gz CSKVEDJJOLVGTK-LBPRGKRZSA-N 1 2 266.316 1.719 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615552192 348586067 /nfs/dbraw/zinc/58/60/67/348586067.db2.gz CKWUPRNYZKKZBR-GJZGRUSLSA-N 1 2 296.411 1.291 20 30 CDEDLO C[C@]1(C#N)CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000615789712 348723959 /nfs/dbraw/zinc/72/39/59/348723959.db2.gz HJSGGNNDDARFBH-SWLSCSKDSA-N 1 2 272.352 1.598 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cccc(CC#N)c1 ZINC000044535234 348764348 /nfs/dbraw/zinc/76/43/48/348764348.db2.gz ABLBSDHWKRTKAW-CYBMUJFWSA-N 1 2 287.363 1.203 20 30 CDEDLO C#CCN(CC)C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000056743716 348822552 /nfs/dbraw/zinc/82/25/52/348822552.db2.gz LEOUQPFZPLHEFT-UHFFFAOYSA-N 1 2 270.336 1.807 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000047028158 348804648 /nfs/dbraw/zinc/80/46/48/348804648.db2.gz CIVOAXUFWATZPY-ZDUSSCGKSA-N 1 2 297.362 1.985 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000057869755 348849856 /nfs/dbraw/zinc/84/98/56/348849856.db2.gz QFONMCJTFJMOQM-VIFPVBQESA-N 1 2 293.289 1.273 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000057869755 348849859 /nfs/dbraw/zinc/84/98/59/348849859.db2.gz QFONMCJTFJMOQM-VIFPVBQESA-N 1 2 293.289 1.273 20 30 CDEDLO COCCN(CCC#N)Cc1[nH+]ccn1CC(F)(F)F ZINC000072689414 348905386 /nfs/dbraw/zinc/90/53/86/348905386.db2.gz SAIVVDGJLFJGSW-UHFFFAOYSA-N 1 2 290.289 1.807 20 30 CDEDLO C#CC[N@@H+](Cn1cc(C(=O)OC)nn1)C1CCCCC1 ZINC000065943336 348969178 /nfs/dbraw/zinc/96/91/78/348969178.db2.gz HWWXEFVLMYNXAS-UHFFFAOYSA-N 1 2 276.340 1.290 20 30 CDEDLO C#CC[N@H+](Cn1cc(C(=O)OC)nn1)C1CCCCC1 ZINC000065943336 348969183 /nfs/dbraw/zinc/96/91/83/348969183.db2.gz HWWXEFVLMYNXAS-UHFFFAOYSA-N 1 2 276.340 1.290 20 30 CDEDLO Cc1cccc2[nH+]c(CNc3nccnc3C#N)cn21 ZINC000068772316 349077187 /nfs/dbraw/zinc/07/71/87/349077187.db2.gz YACYTUJNXFMJRH-UHFFFAOYSA-N 1 2 264.292 1.917 20 30 CDEDLO N#CCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665182 349128003 /nfs/dbraw/zinc/12/80/03/349128003.db2.gz HHRHVMCHXCSNDJ-SNVBAGLBSA-N 1 2 261.285 1.390 20 30 CDEDLO N#CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665182 349128006 /nfs/dbraw/zinc/12/80/06/349128006.db2.gz HHRHVMCHXCSNDJ-SNVBAGLBSA-N 1 2 261.285 1.390 20 30 CDEDLO CC(C)C(=O)N1CCC[N@H+](Cc2cccc(C#N)n2)CC1 ZINC000602449867 350110762 /nfs/dbraw/zinc/11/07/62/350110762.db2.gz SGOTVGMTAQXGJW-UHFFFAOYSA-N 1 2 286.379 1.644 20 30 CDEDLO CC(C)C(=O)N1CCC[N@@H+](Cc2cccc(C#N)n2)CC1 ZINC000602449867 350110766 /nfs/dbraw/zinc/11/07/66/350110766.db2.gz SGOTVGMTAQXGJW-UHFFFAOYSA-N 1 2 286.379 1.644 20 30 CDEDLO CO[C@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)CCO1 ZINC000602897669 350161158 /nfs/dbraw/zinc/16/11/58/350161158.db2.gz NTRHAZJWWWVZGA-GFCCVEGCSA-N 1 2 295.364 1.253 20 30 CDEDLO CO[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)CCO1 ZINC000602897669 350161160 /nfs/dbraw/zinc/16/11/60/350161160.db2.gz NTRHAZJWWWVZGA-GFCCVEGCSA-N 1 2 295.364 1.253 20 30 CDEDLO N#Cc1cc(F)cc(NC(=O)NCC[NH+]2CCOCC2)c1 ZINC000603081199 350192392 /nfs/dbraw/zinc/19/23/92/350192392.db2.gz NIGMMTQPNUIMSF-UHFFFAOYSA-N 1 2 292.314 1.151 20 30 CDEDLO N#Cc1ccc(N2CCN(c3cc(CO)cc[nH+]3)CC2)nc1 ZINC000603276706 350243814 /nfs/dbraw/zinc/24/38/14/350243814.db2.gz HRTGVDKKRABWHX-UHFFFAOYSA-N 1 2 295.346 1.167 20 30 CDEDLO N#Cc1ccccc1Cn1cc[nH+]c1CN1CCOCC1 ZINC000603424782 350287436 /nfs/dbraw/zinc/28/74/36/350287436.db2.gz YQTAIDZAVKWHEU-UHFFFAOYSA-N 1 2 282.347 1.635 20 30 CDEDLO C#CC(C)(C)[N@H+](C)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000491167286 366140961 /nfs/dbraw/zinc/14/09/61/366140961.db2.gz XAJBZUJBCVPNLV-UHFFFAOYSA-N 1 2 291.376 1.352 20 30 CDEDLO C#CC(C)(C)[N@@H+](C)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000491167286 366140967 /nfs/dbraw/zinc/14/09/67/366140967.db2.gz XAJBZUJBCVPNLV-UHFFFAOYSA-N 1 2 291.376 1.352 20 30 CDEDLO C#CCOc1ccc(C(=O)NCc2[nH+]ccn2CC)cc1 ZINC000295779313 199659451 /nfs/dbraw/zinc/65/94/51/199659451.db2.gz PXLVTWGPWFITDB-UHFFFAOYSA-N 1 2 283.331 1.845 20 30 CDEDLO C=CC[NH+](CC=C)Cc1ccc(S(N)(=O)=O)o1 ZINC000637833194 366316610 /nfs/dbraw/zinc/31/66/10/366316610.db2.gz PZHSOMOWEKJIIO-UHFFFAOYSA-N 1 2 256.327 1.101 20 30 CDEDLO O=C(NCC[NH+]1CCOCC1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329635936 538601557 /nfs/dbraw/zinc/60/15/57/538601557.db2.gz UVJUNZADEZVKLK-RRFJBIMHSA-N 1 2 295.427 1.791 20 30 CDEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H]1CCOC1=O ZINC000298178679 356797312 /nfs/dbraw/zinc/79/73/12/356797312.db2.gz RLGQYBSWFBWVAW-AWEZNQCLSA-N 1 2 261.321 1.999 20 30 CDEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H]1CCOC1=O ZINC000298178679 356797317 /nfs/dbraw/zinc/79/73/17/356797317.db2.gz RLGQYBSWFBWVAW-AWEZNQCLSA-N 1 2 261.321 1.999 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NCc1cccc(OC)c1 ZINC000299412255 357055612 /nfs/dbraw/zinc/05/56/12/357055612.db2.gz WBQMIZHLYBQOCR-CQSZACIVSA-N 1 2 284.359 1.268 20 30 CDEDLO COCc1noc(CO[NH+]=C(N)[C@H](C)OCC(C)C)n1 ZINC000179688989 357220842 /nfs/dbraw/zinc/22/08/42/357220842.db2.gz VHAJGFCRKMZBRV-VIFPVBQESA-N 1 2 286.332 1.066 20 30 CDEDLO CC[C@H](C)[C@@H](C)[NH2+]CCNC(O)=C1N=CC=CC1=O ZINC000180876506 357291178 /nfs/dbraw/zinc/29/11/78/357291178.db2.gz OIDDWFLYPJQKLQ-MVLFFRDUSA-N 1 2 265.357 1.537 20 30 CDEDLO C[C@@H](CNc1ncc([N+](=O)[O-])cc1C#N)Cn1cc[nH+]c1 ZINC000264508375 357353469 /nfs/dbraw/zinc/35/34/69/357353469.db2.gz XEWYSXILZIWWQB-JTQLQIEISA-N 1 2 286.295 1.806 20 30 CDEDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1sccc1C#N ZINC000334355198 357575109 /nfs/dbraw/zinc/57/51/09/357575109.db2.gz AHMOVWKVANOZKK-VHSXEESVSA-N 1 2 263.366 1.784 20 30 CDEDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1sccc1C#N ZINC000334355198 357575111 /nfs/dbraw/zinc/57/51/11/357575111.db2.gz AHMOVWKVANOZKK-VHSXEESVSA-N 1 2 263.366 1.784 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000334452342 357587786 /nfs/dbraw/zinc/58/77/86/357587786.db2.gz YGZZRMVDSZERSA-HNNXBMFYSA-N 1 2 287.338 1.894 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000334452342 357587790 /nfs/dbraw/zinc/58/77/90/357587790.db2.gz YGZZRMVDSZERSA-HNNXBMFYSA-N 1 2 287.338 1.894 20 30 CDEDLO CO[C@@H](C)CO[NH+]=C(N)COc1ccccc1F ZINC000186871724 357701467 /nfs/dbraw/zinc/70/14/67/357701467.db2.gz HPSGTUMYWYJZKI-VIFPVBQESA-N 1 2 256.277 1.528 20 30 CDEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(C#N)cc2)CC[N@H+]1C ZINC000408084909 357817578 /nfs/dbraw/zinc/81/75/78/357817578.db2.gz UYYNRZHITBGPQY-NEPJUHHUSA-N 1 2 293.392 1.271 20 30 CDEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(C#N)cc2)CC[N@@H+]1C ZINC000408084909 357817580 /nfs/dbraw/zinc/81/75/80/357817580.db2.gz UYYNRZHITBGPQY-NEPJUHHUSA-N 1 2 293.392 1.271 20 30 CDEDLO C=CCNC(=O)C[N@@H+](CCC#N)CC(CC)CC ZINC000072692763 357848615 /nfs/dbraw/zinc/84/86/15/357848615.db2.gz JUMRJGBUKZCXHV-UHFFFAOYSA-N 1 2 251.374 1.940 20 30 CDEDLO C=CCNC(=O)C[N@H+](CCC#N)CC(CC)CC ZINC000072692763 357848624 /nfs/dbraw/zinc/84/86/24/357848624.db2.gz JUMRJGBUKZCXHV-UHFFFAOYSA-N 1 2 251.374 1.940 20 30 CDEDLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C#N)s1 ZINC000188909894 357950786 /nfs/dbraw/zinc/95/07/86/357950786.db2.gz PJXARKBCNXKHCI-CYBMUJFWSA-N 1 2 277.393 1.966 20 30 CDEDLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000188909894 357950788 /nfs/dbraw/zinc/95/07/88/357950788.db2.gz PJXARKBCNXKHCI-CYBMUJFWSA-N 1 2 277.393 1.966 20 30 CDEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000189549259 358025357 /nfs/dbraw/zinc/02/53/57/358025357.db2.gz NGXLNAYWHWGZBH-KGLIPLIRSA-N 1 2 274.320 1.057 20 30 CDEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000189549259 358025360 /nfs/dbraw/zinc/02/53/60/358025360.db2.gz NGXLNAYWHWGZBH-KGLIPLIRSA-N 1 2 274.320 1.057 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000592148830 358587452 /nfs/dbraw/zinc/58/74/52/358587452.db2.gz CQGMLNUERWUGMD-CYBMUJFWSA-N 1 2 294.742 1.024 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000592148830 358587453 /nfs/dbraw/zinc/58/74/53/358587453.db2.gz CQGMLNUERWUGMD-CYBMUJFWSA-N 1 2 294.742 1.024 20 30 CDEDLO CN(C)[C@H](C(=O)NCc1cccc(C#N)c1)c1c[nH+]cn1C ZINC000341206634 366531047 /nfs/dbraw/zinc/53/10/47/366531047.db2.gz WZXRWGJBHRDHNQ-HNNXBMFYSA-N 1 2 297.362 1.211 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)NCc1[nH+]ccn1C ZINC000338119054 358977282 /nfs/dbraw/zinc/97/72/82/358977282.db2.gz JALRKTJDYJBJFY-UHFFFAOYSA-N 1 2 254.293 1.530 20 30 CDEDLO Cc1nsc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c1C#N ZINC000287925203 359139381 /nfs/dbraw/zinc/13/93/81/359139381.db2.gz PFFXQONTBRYIDA-ONGXEEELSA-N 1 2 280.397 1.844 20 30 CDEDLO C#CCSCCNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000268072911 359355427 /nfs/dbraw/zinc/35/54/27/359355427.db2.gz RSFLVTLOWUVYOU-UHFFFAOYSA-N 1 2 291.376 1.120 20 30 CDEDLO C#CC[N@@H+](Cc1c(C)nn(C)c1N1CCOCC1)C1CC1 ZINC000274169259 359493483 /nfs/dbraw/zinc/49/34/83/359493483.db2.gz WGJNQPJVBBZDKN-UHFFFAOYSA-N 1 2 288.395 1.163 20 30 CDEDLO C#CC[N@H+](Cc1c(C)nn(C)c1N1CCOCC1)C1CC1 ZINC000274169259 359493488 /nfs/dbraw/zinc/49/34/88/359493488.db2.gz WGJNQPJVBBZDKN-UHFFFAOYSA-N 1 2 288.395 1.163 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCc1cccc(C)c1)C1CC1 ZINC000274131993 359491261 /nfs/dbraw/zinc/49/12/61/359491261.db2.gz INODKGZYCJASLZ-UHFFFAOYSA-N 1 2 256.349 1.709 20 30 CDEDLO C#CC[N@H+](CC(=O)NCc1cccc(C)c1)C1CC1 ZINC000274131993 359491263 /nfs/dbraw/zinc/49/12/63/359491263.db2.gz INODKGZYCJASLZ-UHFFFAOYSA-N 1 2 256.349 1.709 20 30 CDEDLO C=CCOCCC[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000348038503 359789156 /nfs/dbraw/zinc/78/91/56/359789156.db2.gz CAMUIIJXMUFZEK-LBPRGKRZSA-N 1 2 250.346 1.924 20 30 CDEDLO C=CCOCCC[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000348038503 359789159 /nfs/dbraw/zinc/78/91/59/359789159.db2.gz CAMUIIJXMUFZEK-LBPRGKRZSA-N 1 2 250.346 1.924 20 30 CDEDLO C=CCOCCC[N@@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000348038503 359789163 /nfs/dbraw/zinc/78/91/63/359789163.db2.gz CAMUIIJXMUFZEK-LBPRGKRZSA-N 1 2 250.346 1.924 20 30 CDEDLO C=CCOCCC[N@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000348038503 359789165 /nfs/dbraw/zinc/78/91/65/359789165.db2.gz CAMUIIJXMUFZEK-LBPRGKRZSA-N 1 2 250.346 1.924 20 30 CDEDLO C=C(C)C[N@@H+](Cc1nc(=O)n(C)[nH]1)Cc1ccccc1 ZINC000348234032 359964680 /nfs/dbraw/zinc/96/46/80/359964680.db2.gz RZJARHAYSYXTNW-UHFFFAOYSA-N 1 2 272.352 1.687 20 30 CDEDLO C=C(C)C[N@H+](Cc1nc(=O)n(C)[nH]1)Cc1ccccc1 ZINC000348234032 359964685 /nfs/dbraw/zinc/96/46/85/359964685.db2.gz RZJARHAYSYXTNW-UHFFFAOYSA-N 1 2 272.352 1.687 20 30 CDEDLO COC[C@@](C)([NH2+]CCCC1(C#N)CCOCC1)C(=O)OC ZINC000337194645 360018971 /nfs/dbraw/zinc/01/89/71/360018971.db2.gz WIEJJAJKLVRPEN-CQSZACIVSA-N 1 2 298.383 1.255 20 30 CDEDLO N#CC1CC[NH+](CC(=O)Nc2cccc(F)c2)CC1 ZINC000057907247 360166950 /nfs/dbraw/zinc/16/69/50/360166950.db2.gz FFFUJIDGFUOJIA-UHFFFAOYSA-N 1 2 261.300 2.000 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)c1 ZINC000300154863 360372512 /nfs/dbraw/zinc/37/25/12/360372512.db2.gz ANXXGGVSWKPZJF-TZMCWYRMSA-N 1 2 273.311 1.408 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)c1 ZINC000300154863 360372518 /nfs/dbraw/zinc/37/25/18/360372518.db2.gz ANXXGGVSWKPZJF-TZMCWYRMSA-N 1 2 273.311 1.408 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000245862838 291276294 /nfs/dbraw/zinc/27/62/94/291276294.db2.gz FRIAFHKIXLMROS-GDBMZVCRSA-N 1 2 288.347 1.619 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@](C)(O)C1 ZINC000245862838 291276296 /nfs/dbraw/zinc/27/62/96/291276296.db2.gz FRIAFHKIXLMROS-GDBMZVCRSA-N 1 2 288.347 1.619 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000562537485 361576295 /nfs/dbraw/zinc/57/62/95/361576295.db2.gz TWRXPZCPXKNOIS-NEPJUHHUSA-N 1 2 292.408 1.785 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000562537485 361576298 /nfs/dbraw/zinc/57/62/98/361576298.db2.gz TWRXPZCPXKNOIS-NEPJUHHUSA-N 1 2 292.408 1.785 20 30 CDEDLO COC[C@](C)(C#N)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000532761899 364005130 /nfs/dbraw/zinc/00/51/30/364005130.db2.gz KLIDOIKHQLUAHR-HNNXBMFYSA-N 1 2 286.335 1.230 20 30 CDEDLO N#Cc1cnn2cc(C[N@H+]3CCC[C@@H]3CF)cnc12 ZINC000581071524 363964100 /nfs/dbraw/zinc/96/41/00/363964100.db2.gz FIQSROMPKUDWTR-GFCCVEGCSA-N 1 2 259.288 1.535 20 30 CDEDLO N#Cc1cnn2cc(C[N@@H+]3CCC[C@@H]3CF)cnc12 ZINC000581071524 363964105 /nfs/dbraw/zinc/96/41/05/363964105.db2.gz FIQSROMPKUDWTR-GFCCVEGCSA-N 1 2 259.288 1.535 20 30 CDEDLO N#C[C@@]1(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCOC1 ZINC000582443304 370778572 /nfs/dbraw/zinc/77/85/72/370778572.db2.gz IQEBJFVVJGODBW-INIZCTEOSA-N 1 2 296.330 1.344 20 30 CDEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496712597 366848968 /nfs/dbraw/zinc/84/89/68/366848968.db2.gz MZBHXMLCMKTFOZ-NWDGAFQWSA-N 1 2 285.388 1.448 20 30 CDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496712597 366848974 /nfs/dbraw/zinc/84/89/74/366848974.db2.gz MZBHXMLCMKTFOZ-NWDGAFQWSA-N 1 2 285.388 1.448 20 30 CDEDLO Cn1cc([C@@H](CO)[NH2+]Cc2ccccc2C#N)cn1 ZINC000270198848 364495030 /nfs/dbraw/zinc/49/50/30/364495030.db2.gz LWYVLZKXBQJAGG-CQSZACIVSA-N 1 2 256.309 1.115 20 30 CDEDLO CC#CC[C@H](CO)NC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000645529870 364742718 /nfs/dbraw/zinc/74/27/18/364742718.db2.gz LKOALBDRVGBDFI-NWDGAFQWSA-N 1 2 278.356 1.038 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2nc(C3CC3)no2)nn1 ZINC000640937134 364756800 /nfs/dbraw/zinc/75/68/00/364756800.db2.gz MDDOFGRVUZVLHS-SNVBAGLBSA-N 1 2 286.339 1.261 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)[C@]2(C#N)CC23CCCC3)CCO1 ZINC000563934537 364757582 /nfs/dbraw/zinc/75/75/82/364757582.db2.gz KNZPRCSGWIVPHW-CZUORRHYSA-N 1 2 291.395 1.297 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(C#N)CC23CCCC3)CCO1 ZINC000563934537 364757586 /nfs/dbraw/zinc/75/75/86/364757586.db2.gz KNZPRCSGWIVPHW-CZUORRHYSA-N 1 2 291.395 1.297 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367086465 364782072 /nfs/dbraw/zinc/78/20/72/364782072.db2.gz UKOBSEIKWXMKQL-HNNXBMFYSA-N 1 2 296.330 1.641 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)CCc2ccccc2)nn1 ZINC000641218466 365224414 /nfs/dbraw/zinc/22/44/14/365224414.db2.gz TXMUWOCPLONNMK-QGZVFWFLSA-N 1 2 298.390 1.385 20 30 CDEDLO C=CCC[C@H](O)Cn1cc(C[NH+]2CCC(OC)CC2)nn1 ZINC000641212034 365214670 /nfs/dbraw/zinc/21/46/70/365214670.db2.gz FVGMDQZOYOJPDN-AWEZNQCLSA-N 1 2 294.399 1.216 20 30 CDEDLO Cc1ccc(C(N)=[NH+]OCCC2OCCO2)cc1F ZINC000120187342 260700823 /nfs/dbraw/zinc/70/08/23/260700823.db2.gz BRNRXJCHWJKLFX-UHFFFAOYSA-N 1 2 268.288 1.534 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)CCC(=O)NCC(=O)c1ccccc1 ZINC000358060521 367399792 /nfs/dbraw/zinc/39/97/92/367399792.db2.gz GPQQGEHUHTXELM-CYBMUJFWSA-N 1 2 287.363 1.467 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)CCC(=O)NCC(=O)c1ccccc1 ZINC000358060521 367399798 /nfs/dbraw/zinc/39/97/98/367399798.db2.gz GPQQGEHUHTXELM-CYBMUJFWSA-N 1 2 287.363 1.467 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1ccoc1 ZINC000358196231 367505467 /nfs/dbraw/zinc/50/54/67/367505467.db2.gz RGEKZJGMCUHFTO-LBPRGKRZSA-N 1 2 263.341 1.720 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccoc1 ZINC000358196231 367505470 /nfs/dbraw/zinc/50/54/70/367505470.db2.gz RGEKZJGMCUHFTO-LBPRGKRZSA-N 1 2 263.341 1.720 20 30 CDEDLO C=CCN1CC[C@@H](N(C)Cc2cn3c([nH+]2)CCCC3)C1=O ZINC000375624094 370882357 /nfs/dbraw/zinc/88/23/57/370882357.db2.gz JUEJSXSGRIREJW-CQSZACIVSA-N 1 2 288.395 1.438 20 30 CDEDLO C=C(C)COCCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000126052642 368279841 /nfs/dbraw/zinc/27/98/41/368279841.db2.gz RZXBJEFRDVTQOL-UHFFFAOYSA-N 1 2 273.336 1.586 20 30 CDEDLO CC#CCNC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645296336 368683193 /nfs/dbraw/zinc/68/31/93/368683193.db2.gz FTNUDFVBOGOKPM-UHFFFAOYSA-N 1 2 270.336 1.508 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000361706854 369484714 /nfs/dbraw/zinc/48/47/14/369484714.db2.gz CLRKGMZUBOOCRP-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000361706854 369484718 /nfs/dbraw/zinc/48/47/18/369484718.db2.gz CLRKGMZUBOOCRP-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NC1(c2ccccc2)CCC1 ZINC000076185164 369505273 /nfs/dbraw/zinc/50/52/73/369505273.db2.gz JJZQNCOJYLLZLR-UHFFFAOYSA-N 1 2 280.371 1.750 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(C#N)c1 ZINC000582276575 369878782 /nfs/dbraw/zinc/87/87/82/369878782.db2.gz OTBFUNKZGWDFGJ-AWEZNQCLSA-N 1 2 256.309 1.132 20 30 CDEDLO CN(C)C(=O)CCC[N@H+](CCC#N)Cc1ccco1 ZINC000568002386 371194555 /nfs/dbraw/zinc/19/45/55/371194555.db2.gz QBSSFZNIPHNEJN-UHFFFAOYSA-N 1 2 263.341 1.864 20 30 CDEDLO CN(C)C(=O)CCC[N@@H+](CCC#N)Cc1ccco1 ZINC000568002386 371194558 /nfs/dbraw/zinc/19/45/58/371194558.db2.gz QBSSFZNIPHNEJN-UHFFFAOYSA-N 1 2 263.341 1.864 20 30 CDEDLO N#CCC1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000568586584 371227437 /nfs/dbraw/zinc/22/74/37/371227437.db2.gz ITUPJEHIRMRRAI-LLVKDONJSA-N 1 2 258.325 1.256 20 30 CDEDLO C#CCN1C(=O)c2ccccc2N[C@@H]1c1c[nH+]cn1C ZINC000159049554 371220179 /nfs/dbraw/zinc/22/01/79/371220179.db2.gz NLZIUIHNMCDMCH-AWEZNQCLSA-N 1 2 266.304 1.620 20 30 CDEDLO N#CCC[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000568740951 371229876 /nfs/dbraw/zinc/22/98/76/371229876.db2.gz MGIICCVCXJYAIW-LLVKDONJSA-N 1 2 263.728 1.949 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCc1ccccc1 ZINC000568822922 371232562 /nfs/dbraw/zinc/23/25/62/371232562.db2.gz LOUGDWGBDFQVKV-INIZCTEOSA-N 1 2 273.380 1.969 20 30 CDEDLO C=CCC[C@@H](CO)Nc1nc(N)c2ccccc2[nH+]1 ZINC000574149759 371698642 /nfs/dbraw/zinc/69/86/42/371698642.db2.gz WVBUWHGBKNXULM-JTQLQIEISA-N 1 2 258.325 1.203 20 30 CDEDLO Cc1noc([C@H]2CCN(c3cc(C)[nH+]cc3C#N)C2)n1 ZINC000333477414 205357127 /nfs/dbraw/zinc/35/71/27/205357127.db2.gz OTQJPRHVJIQPRM-NSHDSACASA-N 1 2 269.308 1.947 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000189453945 373283469 /nfs/dbraw/zinc/28/34/69/373283469.db2.gz IDNMYHUJVLLGKB-SOUVJXGZSA-N 1 2 296.411 1.311 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000189453945 373283478 /nfs/dbraw/zinc/28/34/78/373283478.db2.gz IDNMYHUJVLLGKB-SOUVJXGZSA-N 1 2 296.411 1.311 20 30 CDEDLO C[C@@H](C(=O)NCc1c[nH+]c[nH]1)c1cccc(C#N)c1 ZINC000360263036 374007801 /nfs/dbraw/zinc/00/78/01/374007801.db2.gz WYIKXSPJOWBYCT-SNVBAGLBSA-N 1 2 254.293 1.701 20 30 CDEDLO C[C@@H](C(=O)NCc1c[nH]c[nH+]1)c1cccc(C#N)c1 ZINC000360263036 374007804 /nfs/dbraw/zinc/00/78/04/374007804.db2.gz WYIKXSPJOWBYCT-SNVBAGLBSA-N 1 2 254.293 1.701 20 30 CDEDLO C=CCCN(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000342198519 374010066 /nfs/dbraw/zinc/01/00/66/374010066.db2.gz YTGLGNYLYZEKDZ-UHFFFAOYSA-N 1 2 269.389 1.315 20 30 CDEDLO C=CCCN(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000342198519 374010073 /nfs/dbraw/zinc/01/00/73/374010073.db2.gz YTGLGNYLYZEKDZ-UHFFFAOYSA-N 1 2 269.389 1.315 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000342209211 374014887 /nfs/dbraw/zinc/01/48/87/374014887.db2.gz MUNCGCBDWCKDNL-HNNXBMFYSA-N 1 2 299.374 1.846 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cccc(F)c1C#N ZINC000334141283 206054746 /nfs/dbraw/zinc/05/47/46/206054746.db2.gz GEFLCZIZRIUYJU-UHFFFAOYSA-N 1 2 258.256 1.693 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000370349209 374390825 /nfs/dbraw/zinc/39/08/25/374390825.db2.gz PACVFCHPSKIEAI-CABCVRRESA-N 1 2 288.347 1.711 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000370349209 374390831 /nfs/dbraw/zinc/39/08/31/374390831.db2.gz PACVFCHPSKIEAI-CABCVRRESA-N 1 2 288.347 1.711 20 30 CDEDLO COCC[N@@H+]1CCN(c2nccc(C#N)c2Cl)C[C@H]1C ZINC000429210145 374573321 /nfs/dbraw/zinc/57/33/21/374573321.db2.gz RWURTZQMQDLWES-LLVKDONJSA-N 1 2 294.786 1.764 20 30 CDEDLO COCC[N@H+]1CCN(c2nccc(C#N)c2Cl)C[C@H]1C ZINC000429210145 374573327 /nfs/dbraw/zinc/57/33/27/374573327.db2.gz RWURTZQMQDLWES-LLVKDONJSA-N 1 2 294.786 1.764 20 30 CDEDLO Cn1cc(C[NH2+][C@@H](CO)c2c(F)cccc2F)cc1C#N ZINC000276724916 374745902 /nfs/dbraw/zinc/74/59/02/374745902.db2.gz CBBDBAQWLONWFU-AWEZNQCLSA-N 1 2 291.301 1.998 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000042569798 374846333 /nfs/dbraw/zinc/84/63/33/374846333.db2.gz CHIMVYSWIJYQEP-OLZOCXBDSA-N 1 2 254.374 1.520 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000042569798 374846336 /nfs/dbraw/zinc/84/63/36/374846336.db2.gz CHIMVYSWIJYQEP-OLZOCXBDSA-N 1 2 254.374 1.520 20 30 CDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1sccc1C#N ZINC000331321543 374928989 /nfs/dbraw/zinc/92/89/89/374928989.db2.gz FEQRGZPNWFVJEW-UHFFFAOYSA-N 1 2 293.392 1.460 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000332082110 375002680 /nfs/dbraw/zinc/00/26/80/375002680.db2.gz AFEFZOKFCRMDIP-UHFFFAOYSA-N 1 2 299.334 1.141 20 30 CDEDLO N#Cc1c[nH]c(C(=O)Nc2c[nH+]c3n2CCCC3)c1 ZINC000334651070 375127315 /nfs/dbraw/zinc/12/73/15/375127315.db2.gz DTUAIWQYUQPLJS-UHFFFAOYSA-N 1 2 255.281 1.671 20 30 CDEDLO CC[N@@H+](Cc1cc(=O)n2ccccc2n1)C[C@H](C)C#N ZINC000049000608 375390072 /nfs/dbraw/zinc/39/00/72/375390072.db2.gz UODPUFQJVDOXTL-GFCCVEGCSA-N 1 2 270.336 1.676 20 30 CDEDLO CC[N@H+](Cc1cc(=O)n2ccccc2n1)C[C@H](C)C#N ZINC000049000608 375390076 /nfs/dbraw/zinc/39/00/76/375390076.db2.gz UODPUFQJVDOXTL-GFCCVEGCSA-N 1 2 270.336 1.676 20 30 CDEDLO O=C1OC[C@H]2C[N@H+](CC#Cc3cccc(Cl)c3)CCN12 ZINC000359980517 375491029 /nfs/dbraw/zinc/49/10/29/375491029.db2.gz ZUUOYIKSXUYEOR-CQSZACIVSA-N 1 2 290.750 1.828 20 30 CDEDLO O=C1OC[C@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)CCN12 ZINC000359980517 375491033 /nfs/dbraw/zinc/49/10/33/375491033.db2.gz ZUUOYIKSXUYEOR-CQSZACIVSA-N 1 2 290.750 1.828 20 30 CDEDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000162885140 375543580 /nfs/dbraw/zinc/54/35/80/375543580.db2.gz KFORKSMOGFWJJO-CYBMUJFWSA-N 1 2 277.755 1.922 20 30 CDEDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000162885140 375543588 /nfs/dbraw/zinc/54/35/88/375543588.db2.gz KFORKSMOGFWJJO-CYBMUJFWSA-N 1 2 277.755 1.922 20 30 CDEDLO CCOCC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000163131967 375614179 /nfs/dbraw/zinc/61/41/79/375614179.db2.gz LXADDVGGXPXQBA-UHFFFAOYSA-N 1 2 296.392 1.300 20 30 CDEDLO CCOCC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000163131967 375614183 /nfs/dbraw/zinc/61/41/83/375614183.db2.gz LXADDVGGXPXQBA-UHFFFAOYSA-N 1 2 296.392 1.300 20 30 CDEDLO N#Cc1c(F)cccc1CN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000428206383 247260876 /nfs/dbraw/zinc/26/08/76/247260876.db2.gz NHWVYEKGXPMFQQ-UHFFFAOYSA-N 1 2 299.353 1.738 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000112560553 375808256 /nfs/dbraw/zinc/80/82/56/375808256.db2.gz OTRNBWNJQOMRPX-KBPBESRZSA-N 1 2 274.368 1.517 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000112560553 375808265 /nfs/dbraw/zinc/80/82/65/375808265.db2.gz OTRNBWNJQOMRPX-KBPBESRZSA-N 1 2 274.368 1.517 20 30 CDEDLO Cc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)nn1C ZINC000428780698 247363917 /nfs/dbraw/zinc/36/39/17/247363917.db2.gz IDPHVWSICVGFIV-OAHLLOKOSA-N 1 2 297.362 1.649 20 30 CDEDLO Cc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)nn1C ZINC000428780698 247363919 /nfs/dbraw/zinc/36/39/19/247363919.db2.gz IDPHVWSICVGFIV-OAHLLOKOSA-N 1 2 297.362 1.649 20 30 CDEDLO O=C(NCc1nc2cccnc2[nH]1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328738764 375939737 /nfs/dbraw/zinc/93/97/37/375939737.db2.gz HOYHMUNXQJRAIN-SNVBAGLBSA-N 1 2 296.334 1.874 20 30 CDEDLO Cc1noc(CNC(=O)[C@@H](C)[NH+]2CCSCC2)n1 ZINC000328895578 376004665 /nfs/dbraw/zinc/00/46/65/376004665.db2.gz BLKSRJHCNOBPCF-MRVPVSSYSA-N 1 2 270.358 1.272 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CC(C)(C)CO ZINC000295371718 375982014 /nfs/dbraw/zinc/98/20/14/375982014.db2.gz ZXURNOGQBNONEC-AWEZNQCLSA-N 1 2 290.363 1.723 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(C)(C)CO ZINC000295371718 375982019 /nfs/dbraw/zinc/98/20/19/375982019.db2.gz ZXURNOGQBNONEC-AWEZNQCLSA-N 1 2 290.363 1.723 20 30 CDEDLO CC[C@H]1C[N@H+](CCNC(=O)NCC2(C#N)CCC2)CCO1 ZINC000419650650 376149570 /nfs/dbraw/zinc/14/95/70/376149570.db2.gz VHTKKPPDMOQEGT-ZDUSSCGKSA-N 1 2 294.399 1.090 20 30 CDEDLO CC[C@H]1C[N@@H+](CCNC(=O)NCC2(C#N)CCC2)CCO1 ZINC000419650650 376149575 /nfs/dbraw/zinc/14/95/75/376149575.db2.gz VHTKKPPDMOQEGT-ZDUSSCGKSA-N 1 2 294.399 1.090 20 30 CDEDLO CCc1noc([C@@H](C)[N@H+](C)CCNC(=O)N(C)C)n1 ZINC000330628045 376296269 /nfs/dbraw/zinc/29/62/69/376296269.db2.gz YDANXNOQMBKSEE-SECBINFHSA-N 1 2 269.349 1.100 20 30 CDEDLO CCc1noc([C@@H](C)[N@@H+](C)CCNC(=O)N(C)C)n1 ZINC000330628045 376296271 /nfs/dbraw/zinc/29/62/71/376296271.db2.gz YDANXNOQMBKSEE-SECBINFHSA-N 1 2 269.349 1.100 20 30 CDEDLO CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000053906667 376685968 /nfs/dbraw/zinc/68/59/68/376685968.db2.gz GNZXSJZAYKFIKY-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000053906667 376685979 /nfs/dbraw/zinc/68/59/79/376685979.db2.gz GNZXSJZAYKFIKY-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO Cc1cccc2[nH+]c(CN3CCO[C@@H](C#N)C3)cn21 ZINC000171575023 376826012 /nfs/dbraw/zinc/82/60/12/376826012.db2.gz RIVKKQCMMRXBOF-ZDUSSCGKSA-N 1 2 256.309 1.367 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000246592762 376953313 /nfs/dbraw/zinc/95/33/13/376953313.db2.gz PAJQLLGRJUKLDQ-HZPDHXFCSA-N 1 2 290.411 1.474 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000246592762 376953320 /nfs/dbraw/zinc/95/33/20/376953320.db2.gz PAJQLLGRJUKLDQ-HZPDHXFCSA-N 1 2 290.411 1.474 20 30 CDEDLO C#CC[NH+](CC#C)CCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000072906303 377205348 /nfs/dbraw/zinc/20/53/48/377205348.db2.gz GKFHMRYZBRULTK-UHFFFAOYSA-N 1 2 282.343 1.786 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)Cc1[nH+]ccn1C ZINC000281480678 378007130 /nfs/dbraw/zinc/00/71/30/378007130.db2.gz HYVJSYDHCJFHRH-GXTWGEPZSA-N 1 2 292.383 1.543 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000293323618 378558569 /nfs/dbraw/zinc/55/85/69/378558569.db2.gz CMOZJHMBRDYNPH-UHFFFAOYSA-N 1 2 274.364 1.647 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+](C(C)C)C1COC1 ZINC000295491099 378682152 /nfs/dbraw/zinc/68/21/52/378682152.db2.gz RXXNBRIAPVFGNQ-UHFFFAOYSA-N 1 2 252.358 1.296 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+](C(C)C)C1COC1 ZINC000295491099 378682156 /nfs/dbraw/zinc/68/21/56/378682156.db2.gz RXXNBRIAPVFGNQ-UHFFFAOYSA-N 1 2 252.358 1.296 20 30 CDEDLO C#CCNC(=O)CCN(C)c1[nH]c2ccccc2[nH+]1 ZINC000295935397 378703174 /nfs/dbraw/zinc/70/31/74/378703174.db2.gz ICKWHFGMOFLDFS-UHFFFAOYSA-N 1 2 256.309 1.139 20 30 CDEDLO C[C@@H](CNC(=O)c1ccc(F)c(C#N)c1)[NH+]1CCOCC1 ZINC000278603995 194064534 /nfs/dbraw/zinc/06/45/34/194064534.db2.gz LIIBTQOCEKHBLR-NSHDSACASA-N 1 2 291.326 1.148 20 30 CDEDLO C=CCCOCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000142781758 379116611 /nfs/dbraw/zinc/11/66/11/379116611.db2.gz UOLWOQQMBOXXAA-UHFFFAOYSA-N 1 2 275.352 1.323 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000278833204 194175764 /nfs/dbraw/zinc/17/57/64/194175764.db2.gz JWDDGQIPNWXQEL-OAHLLOKOSA-N 1 2 273.336 1.586 20 30 CDEDLO C=CCN1CC[C@@H]([NH2+][C@H](C)c2nnc(C)s2)C1=O ZINC000280988638 195058556 /nfs/dbraw/zinc/05/85/56/195058556.db2.gz IXFQTQYBHKDCME-PSASIEDQSA-N 1 2 266.370 1.284 20 30 CDEDLO COCC[NH+]1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000266133705 285052580 /nfs/dbraw/zinc/05/25/80/285052580.db2.gz DPCPTIGMZBHAJZ-UHFFFAOYSA-N 1 2 281.306 1.605 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000192232261 533111567 /nfs/dbraw/zinc/11/15/67/533111567.db2.gz PTAJFQLSFJMEOI-NSHDSACASA-N 1 2 276.336 1.596 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000192232261 533111572 /nfs/dbraw/zinc/11/15/72/533111572.db2.gz PTAJFQLSFJMEOI-NSHDSACASA-N 1 2 276.336 1.596 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CC(=O)OC)[C@@H](C)CC ZINC000281282723 195180160 /nfs/dbraw/zinc/18/01/60/195180160.db2.gz ITKULNFAHXZSGF-ZDUSSCGKSA-N 1 2 284.400 1.685 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](CC(=O)OC)[C@@H](C)CC ZINC000281282723 195180161 /nfs/dbraw/zinc/18/01/61/195180161.db2.gz ITKULNFAHXZSGF-ZDUSSCGKSA-N 1 2 284.400 1.685 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CCCCCC2)C1=O ZINC000281337318 195202156 /nfs/dbraw/zinc/20/21/56/195202156.db2.gz MGPMMTGHADZDRK-AWEZNQCLSA-N 1 2 293.411 1.108 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CCCCCC2)C1=O ZINC000281337318 195202158 /nfs/dbraw/zinc/20/21/58/195202158.db2.gz MGPMMTGHADZDRK-AWEZNQCLSA-N 1 2 293.411 1.108 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000281466881 195252758 /nfs/dbraw/zinc/25/27/58/195252758.db2.gz PFSOBBRGUXNPAL-OCCSQVGLSA-N 1 2 263.341 1.371 20 30 CDEDLO CC(C)(CNC(=O)N[C@H]1CCCOC1)C[NH+]1CCCC1 ZINC000329511728 391001436 /nfs/dbraw/zinc/00/14/36/391001436.db2.gz CCTAOKCVWHBJMW-ZDUSSCGKSA-N 1 2 283.416 1.791 20 30 CDEDLO CN(C[C@@H]1CCCCO1)C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329613973 391032958 /nfs/dbraw/zinc/03/29/58/391032958.db2.gz OZJWOQSUDVCSKA-RYUDHWBXSA-N 1 2 292.383 1.682 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc2c(c1)CCC2 ZINC000414162280 391115058 /nfs/dbraw/zinc/11/50/58/391115058.db2.gz LLYSUDBNTRVERR-HNNXBMFYSA-N 1 2 274.364 1.760 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc2c(c1)CCC2 ZINC000414162280 391115062 /nfs/dbraw/zinc/11/50/62/391115062.db2.gz LLYSUDBNTRVERR-HNNXBMFYSA-N 1 2 274.364 1.760 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(/C=C\C)cc2)CC1 ZINC000491416045 391117178 /nfs/dbraw/zinc/11/71/78/391117178.db2.gz JMSTYLSIHGNACT-HYXAFXHYSA-N 1 2 297.402 1.909 20 30 CDEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCC(=O)NCc1ccco1 ZINC000174219207 391118732 /nfs/dbraw/zinc/11/87/32/391118732.db2.gz TYOLGAXWKHUDCC-LLVKDONJSA-N 1 2 297.355 1.246 20 30 CDEDLO C#C[C@H](C)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000373471027 391120267 /nfs/dbraw/zinc/12/02/67/391120267.db2.gz KDAYEMLAJSEJKK-NSHDSACASA-N 1 2 260.341 1.083 20 30 CDEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ncc(C#N)cc1C ZINC000574253053 391143349 /nfs/dbraw/zinc/14/33/49/391143349.db2.gz LQHVAHNYTWFEEM-LLVKDONJSA-N 1 2 283.335 1.969 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)C1=O ZINC000374102788 391147361 /nfs/dbraw/zinc/14/73/61/391147361.db2.gz VNAKIIHYVZCBFP-OCCSQVGLSA-N 1 2 274.368 1.376 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](c3ccn[nH]3)C2)C1=O ZINC000374102788 391147364 /nfs/dbraw/zinc/14/73/64/391147364.db2.gz VNAKIIHYVZCBFP-OCCSQVGLSA-N 1 2 274.368 1.376 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)CCCC#N)CCC2 ZINC000374437816 391163515 /nfs/dbraw/zinc/16/35/15/391163515.db2.gz QEWHVPQGPUANOK-GFCCVEGCSA-N 1 2 296.396 1.292 20 30 CDEDLO C=CCOCC[N@@H+]([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000338996873 391239211 /nfs/dbraw/zinc/23/92/11/391239211.db2.gz JTDPINCDEIVWIF-LLVKDONJSA-N 1 2 261.387 1.087 20 30 CDEDLO C=CCOCC[N@H+]([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000338996873 391239215 /nfs/dbraw/zinc/23/92/15/391239215.db2.gz JTDPINCDEIVWIF-LLVKDONJSA-N 1 2 261.387 1.087 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NC[C@H](C)[NH+]1CCN(C)CC1)OCC ZINC000339367681 391292572 /nfs/dbraw/zinc/29/25/72/391292572.db2.gz HYDKAEQYFCTSDI-LSDHHAIUSA-N 1 2 297.443 1.110 20 30 CDEDLO Cc1nnc(CO[NH+]=C(N)Cc2csc(C)n2)s1 ZINC000271585265 391296726 /nfs/dbraw/zinc/29/67/26/391296726.db2.gz XLUAVVKZJRQFLA-UHFFFAOYSA-N 1 2 283.382 1.643 20 30 CDEDLO C=CC[C@@H](C)NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366469405 391323900 /nfs/dbraw/zinc/32/39/00/391323900.db2.gz GSSHOWVILNOUIR-DGCLKSJQSA-N 1 2 267.373 1.113 20 30 CDEDLO C=CC[C@@H](C)NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366469405 391323902 /nfs/dbraw/zinc/32/39/02/391323902.db2.gz GSSHOWVILNOUIR-DGCLKSJQSA-N 1 2 267.373 1.113 20 30 CDEDLO CC[N@H+](C[C@H](C)C#N)[C@H]1CCN(C2CCOCC2)C1=O ZINC000330366065 391405824 /nfs/dbraw/zinc/40/58/24/391405824.db2.gz KYZGQLRNJDNCRC-OCCSQVGLSA-N 1 2 279.384 1.248 20 30 CDEDLO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCN(C2CCOCC2)C1=O ZINC000330366065 391405829 /nfs/dbraw/zinc/40/58/29/391405829.db2.gz KYZGQLRNJDNCRC-OCCSQVGLSA-N 1 2 279.384 1.248 20 30 CDEDLO C=CC[N@@H+](CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000330366250 391406011 /nfs/dbraw/zinc/40/60/11/391406011.db2.gz MRTFHPGKFXURPJ-CYBMUJFWSA-N 1 2 298.408 1.509 20 30 CDEDLO C=CC[N@H+](CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000330366250 391406014 /nfs/dbraw/zinc/40/60/14/391406014.db2.gz MRTFHPGKFXURPJ-CYBMUJFWSA-N 1 2 298.408 1.509 20 30 CDEDLO C=CC[N@@H+](CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 ZINC000330366251 391406126 /nfs/dbraw/zinc/40/61/26/391406126.db2.gz MRTFHPGKFXURPJ-ZDUSSCGKSA-N 1 2 298.408 1.509 20 30 CDEDLO C=CC[N@H+](CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 ZINC000330366251 391406128 /nfs/dbraw/zinc/40/61/28/391406128.db2.gz MRTFHPGKFXURPJ-ZDUSSCGKSA-N 1 2 298.408 1.509 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCCCc1ccccc1 ZINC000339758450 391350141 /nfs/dbraw/zinc/35/01/41/391350141.db2.gz HXNAYAZLBWOAPG-UHFFFAOYSA-N 1 2 258.365 1.691 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCCCc1ccccc1 ZINC000339758450 391350143 /nfs/dbraw/zinc/35/01/43/391350143.db2.gz HXNAYAZLBWOAPG-UHFFFAOYSA-N 1 2 258.365 1.691 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347366381 391394407 /nfs/dbraw/zinc/39/44/07/391394407.db2.gz IWCZFLVSBXIRQQ-HIFRSBDPSA-N 1 2 286.391 1.596 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347366381 391394411 /nfs/dbraw/zinc/39/44/11/391394411.db2.gz IWCZFLVSBXIRQQ-HIFRSBDPSA-N 1 2 286.391 1.596 20 30 CDEDLO CO[C@@H]1CCC[C@@H]1CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000329629788 391450090 /nfs/dbraw/zinc/45/00/90/391450090.db2.gz VFZJBYHSHQSSCX-DGCLKSJQSA-N 1 2 278.356 1.428 20 30 CDEDLO CO[C@@H]1CCC[C@@H]1C[NH+]=C([O-])N1CCn2c[nH+]cc2C1 ZINC000329629788 391450093 /nfs/dbraw/zinc/45/00/93/391450093.db2.gz VFZJBYHSHQSSCX-DGCLKSJQSA-N 1 2 278.356 1.428 20 30 CDEDLO CN(CCCn1cc[nH+]c1)c1nccc(C#N)c1[N+](=O)[O-] ZINC000268975701 391475917 /nfs/dbraw/zinc/47/59/17/391475917.db2.gz PTSOBXDDOXYGNU-UHFFFAOYSA-N 1 2 286.295 1.584 20 30 CDEDLO CC[C@@](C)(C#N)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000349614747 391567183 /nfs/dbraw/zinc/56/71/83/391567183.db2.gz SQRBVULBFLGTIZ-ZFWWWQNUSA-N 1 2 281.400 1.399 20 30 CDEDLO N#CC1(F)CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000359365893 391591755 /nfs/dbraw/zinc/59/17/55/391591755.db2.gz WEYKNMAJOADPKR-UHFFFAOYSA-N 1 2 299.309 1.735 20 30 CDEDLO C#C[C@H](NC(=O)c1ccnc(-n2cc[nH+]c2)c1)C(C)C ZINC000282022428 391668910 /nfs/dbraw/zinc/66/89/10/391668910.db2.gz LEHDALWIMJBQOK-ZDUSSCGKSA-N 1 2 268.320 1.655 20 30 CDEDLO Cc1cccc(CCCNc2ccnc(C#N)n2)[nH+]1 ZINC000574054650 391724129 /nfs/dbraw/zinc/72/41/29/391724129.db2.gz WMPSLWASLNNCHF-UHFFFAOYSA-N 1 2 253.309 1.518 20 30 CDEDLO Cc1cc(C(=O)NCCc2cn3c([nH+]2)CCCC3)cnn1 ZINC000329778361 391777150 /nfs/dbraw/zinc/77/71/50/391777150.db2.gz QAIFAPJDJYVBCI-UHFFFAOYSA-N 1 2 285.351 1.865 20 30 CDEDLO CO[C@]1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCOC1 ZINC000329735132 391765751 /nfs/dbraw/zinc/76/57/51/391765751.db2.gz KSGHTUXFXNDJKZ-FZMZJTMJSA-N 1 2 279.340 1.208 20 30 CDEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2cc(C3CC3)ccn2)C1 ZINC000329747287 391769792 /nfs/dbraw/zinc/76/97/92/391769792.db2.gz SFKBVEOOYAYDEO-LBPRGKRZSA-N 1 2 261.325 1.878 20 30 CDEDLO C[N@H+]1CCO[C@H](C(=O)Nc2cc(C3CC3)ccn2)C1 ZINC000329747287 391769794 /nfs/dbraw/zinc/76/97/94/391769794.db2.gz SFKBVEOOYAYDEO-LBPRGKRZSA-N 1 2 261.325 1.878 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(F)c1C#N ZINC000495021356 391903927 /nfs/dbraw/zinc/90/39/27/391903927.db2.gz VQJJVKMFDXIMKE-SNVBAGLBSA-N 1 2 272.283 1.712 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)CC[S@@]1=O ZINC000334248357 392041199 /nfs/dbraw/zinc/04/11/99/392041199.db2.gz PKLTVCWXEBIBHT-XIKOKIGWSA-N 1 2 262.378 1.705 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CC[S@@]1=O ZINC000334248357 392041205 /nfs/dbraw/zinc/04/12/05/392041205.db2.gz PKLTVCWXEBIBHT-XIKOKIGWSA-N 1 2 262.378 1.705 20 30 CDEDLO CC#CC[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000247067008 131100249 /nfs/dbraw/zinc/10/02/49/131100249.db2.gz WNSIEZXCLORPNE-QWHCGFSZSA-N 1 2 265.378 1.896 20 30 CDEDLO CC#CC[N@H+]1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000247067008 131100250 /nfs/dbraw/zinc/10/02/50/131100250.db2.gz WNSIEZXCLORPNE-QWHCGFSZSA-N 1 2 265.378 1.896 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(C#N)c(O)c1 ZINC000442646213 392443215 /nfs/dbraw/zinc/44/32/15/392443215.db2.gz HDFMYVQMTOHPGP-UHFFFAOYSA-N 1 2 256.265 1.225 20 30 CDEDLO C[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])cc2C#N)CCO1 ZINC000522275327 392876140 /nfs/dbraw/zinc/87/61/40/392876140.db2.gz LDGCMLYQLYRKHJ-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2C#N)CCO1 ZINC000522275327 392876144 /nfs/dbraw/zinc/87/61/44/392876144.db2.gz LDGCMLYQLYRKHJ-LLVKDONJSA-N 1 2 290.323 1.599 20 30 CDEDLO C[C@H]1C[N@H+](CCNc2nc3c(cc2C#N)CCC3)CCO1 ZINC000523078764 392882290 /nfs/dbraw/zinc/88/22/90/392882290.db2.gz OIXFTZFDXSZOKT-LBPRGKRZSA-N 1 2 286.379 1.575 20 30 CDEDLO C[C@H]1C[N@@H+](CCNc2nc3c(cc2C#N)CCC3)CCO1 ZINC000523078764 392882293 /nfs/dbraw/zinc/88/22/93/392882293.db2.gz OIXFTZFDXSZOKT-LBPRGKRZSA-N 1 2 286.379 1.575 20 30 CDEDLO Cc1cc(N[C@@H]2c3ccccc3C[C@H]2O)c(C#N)c[nH+]1 ZINC000425201909 392992403 /nfs/dbraw/zinc/99/24/03/392992403.db2.gz BGQYNALZSZQYFE-HZPDHXFCSA-N 1 2 265.316 1.754 20 30 CDEDLO COC[C@]1(C(=O)OC)CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425273910 393013999 /nfs/dbraw/zinc/01/39/99/393013999.db2.gz ZCLPQZJXZVWXQT-HNNXBMFYSA-N 1 2 289.335 1.278 20 30 CDEDLO Cc1cc(N2CCC(N3CCCNC3=O)CC2)c(C#N)c[nH+]1 ZINC000333509076 393176791 /nfs/dbraw/zinc/17/67/91/393176791.db2.gz TZFWOGUQEUOGKY-UHFFFAOYSA-N 1 2 299.378 1.646 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000330817964 393145601 /nfs/dbraw/zinc/14/56/01/393145601.db2.gz LXOYTRGSXYVJSY-SMDDNHRTSA-N 1 2 274.320 1.493 20 30 CDEDLO COC(=O)[C@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000330817964 393145607 /nfs/dbraw/zinc/14/56/07/393145607.db2.gz LXOYTRGSXYVJSY-SMDDNHRTSA-N 1 2 274.320 1.493 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)o1 ZINC000494364133 393230744 /nfs/dbraw/zinc/23/07/44/393230744.db2.gz MOKVSKSFXBYGMH-SNVBAGLBSA-N 1 2 261.281 1.178 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)OCC[C@@H]3C2)o1 ZINC000494364133 393230751 /nfs/dbraw/zinc/23/07/51/393230751.db2.gz MOKVSKSFXBYGMH-SNVBAGLBSA-N 1 2 261.281 1.178 20 30 CDEDLO N#Cc1csc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)c1 ZINC000494658520 393236202 /nfs/dbraw/zinc/23/62/02/393236202.db2.gz GYFFKNCSIAIHIT-JTQLQIEISA-N 1 2 263.322 1.256 20 30 CDEDLO N#Cc1csc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)c1 ZINC000494658520 393236207 /nfs/dbraw/zinc/23/62/07/393236207.db2.gz GYFFKNCSIAIHIT-JTQLQIEISA-N 1 2 263.322 1.256 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000487909842 393325773 /nfs/dbraw/zinc/32/57/73/393325773.db2.gz CMNGNODANUAILA-HUUCEWRRSA-N 1 2 288.347 1.629 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000487909842 393325779 /nfs/dbraw/zinc/32/57/79/393325779.db2.gz CMNGNODANUAILA-HUUCEWRRSA-N 1 2 288.347 1.629 20 30 CDEDLO CC#CCN(C)C(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657973369 413116711 /nfs/dbraw/zinc/11/67/11/413116711.db2.gz FQJMDZSVPSHTAO-UHFFFAOYSA-N 1 2 284.319 1.063 20 30 CDEDLO C#CCN(C(=O)NCCCCn1cc[nH+]c1)C1CC1 ZINC000491668407 397714586 /nfs/dbraw/zinc/71/45/86/397714586.db2.gz ONACVIZKKVEIEV-UHFFFAOYSA-N 1 2 260.341 1.471 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3cncnc3)CC2)c(F)c1 ZINC000120796505 147346579 /nfs/dbraw/zinc/34/65/79/147346579.db2.gz TXWPFQBCQJOUGF-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000335944412 151137959 /nfs/dbraw/zinc/13/79/59/151137959.db2.gz UNCRJEWEYGFZHA-CQSZACIVSA-N 1 2 275.327 1.798 20 30 CDEDLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000335944412 151137960 /nfs/dbraw/zinc/13/79/60/151137960.db2.gz UNCRJEWEYGFZHA-CQSZACIVSA-N 1 2 275.327 1.798 20 30 CDEDLO N#Cc1ccc(C[NH2+]Cc2nnc3n2CCC3)s1 ZINC000343158412 152052448 /nfs/dbraw/zinc/05/24/48/152052448.db2.gz KFWSPIQCYXNRGO-UHFFFAOYSA-N 1 2 259.338 1.447 20 30 CDEDLO Cc1ccnc(N2CCN(Cc3[nH]cc[nH+]3)CC2)c1C#N ZINC000343511969 152207114 /nfs/dbraw/zinc/20/71/14/152207114.db2.gz NEYFOYPKDCDUFP-UHFFFAOYSA-N 1 2 282.351 1.307 20 30 CDEDLO N#Cc1c[nH]nc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000346656864 153260694 /nfs/dbraw/zinc/26/06/94/153260694.db2.gz KZTNOALKAOWBTA-UHFFFAOYSA-N 1 2 268.324 1.311 20 30 CDEDLO COc1cc[nH+]cc1NC(=O)COc1ccc(C#N)cc1 ZINC000346705291 153282049 /nfs/dbraw/zinc/28/20/49/153282049.db2.gz KMKSPZJXLADNHD-UHFFFAOYSA-N 1 2 283.287 1.979 20 30 CDEDLO CC(C)(C(N)=O)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000353922798 156162257 /nfs/dbraw/zinc/16/22/57/156162257.db2.gz CVLBMEREMVJHCC-UHFFFAOYSA-N 1 2 292.408 1.001 20 30 CDEDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2cc(C#N)cs2)CC1 ZINC000353922798 156162262 /nfs/dbraw/zinc/16/22/62/156162262.db2.gz CVLBMEREMVJHCC-UHFFFAOYSA-N 1 2 292.408 1.001 20 30 CDEDLO CCNc1ccc(C#N)cc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000354088590 156265195 /nfs/dbraw/zinc/26/51/95/156265195.db2.gz RQLBZSNFADYQLC-CQSZACIVSA-N 1 2 288.351 1.259 20 30 CDEDLO CCNc1ccc(C#N)cc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000354088590 156265199 /nfs/dbraw/zinc/26/51/99/156265199.db2.gz RQLBZSNFADYQLC-CQSZACIVSA-N 1 2 288.351 1.259 20 30 CDEDLO N#Cc1cc(C(=O)Nc2cccc3[nH+]ccn32)ccn1 ZINC000359556136 158286405 /nfs/dbraw/zinc/28/64/05/158286405.db2.gz CHERUWNYGSPHCM-UHFFFAOYSA-N 1 2 263.260 1.853 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)o1 ZINC000339572905 165062627 /nfs/dbraw/zinc/06/26/27/165062627.db2.gz SPAWXBSJNPYAKZ-UHFFFAOYSA-N 1 2 270.292 1.825 20 30 CDEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000282044724 287131368 /nfs/dbraw/zinc/13/13/68/287131368.db2.gz GENQSYFDKFNELU-SMDDNHRTSA-N 1 2 278.377 1.738 20 30 CDEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000282044724 287131372 /nfs/dbraw/zinc/13/13/72/287131372.db2.gz GENQSYFDKFNELU-SMDDNHRTSA-N 1 2 278.377 1.738 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@H]2CCCc3c2cnn3C)nn1 ZINC000657309711 414152962 /nfs/dbraw/zinc/15/29/62/414152962.db2.gz QWAKCKYXPZOLRA-AWEZNQCLSA-N 1 2 286.383 1.755 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000076412279 177020920 /nfs/dbraw/zinc/02/09/20/177020920.db2.gz FZIUQPVXVPCRMC-RWMBFGLXSA-N 1 2 267.373 1.104 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000076412279 177020921 /nfs/dbraw/zinc/02/09/21/177020921.db2.gz FZIUQPVXVPCRMC-RWMBFGLXSA-N 1 2 267.373 1.104 20 30 CDEDLO CCS(=O)(=O)CCCCC[N@H+](C)C[C@@H](C)C#N ZINC000354890227 227208353 /nfs/dbraw/zinc/20/83/53/227208353.db2.gz KLBRMUWKAVCWBJ-LBPRGKRZSA-N 1 2 260.403 1.683 20 30 CDEDLO CCS(=O)(=O)CCCCC[N@@H+](C)C[C@@H](C)C#N ZINC000354890227 227208356 /nfs/dbraw/zinc/20/83/56/227208356.db2.gz KLBRMUWKAVCWBJ-LBPRGKRZSA-N 1 2 260.403 1.683 20 30 CDEDLO C[C@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H]1CCOC1 ZINC000329202925 227352966 /nfs/dbraw/zinc/35/29/66/227352966.db2.gz CLMICACOIXXXES-QWHCGFSZSA-N 1 2 299.415 1.026 20 30 CDEDLO C[C@]1(O)CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000330053244 228027740 /nfs/dbraw/zinc/02/77/40/228027740.db2.gz QEBVEKLZBWNIIM-FZMZJTMJSA-N 1 2 278.356 1.131 20 30 CDEDLO Cc1nccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000330156427 228051897 /nfs/dbraw/zinc/05/18/97/228051897.db2.gz OSMUJOJEYNNDQE-NSHDSACASA-N 1 2 286.339 1.933 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCC(C)(C)C#N)C1 ZINC000335982158 228174945 /nfs/dbraw/zinc/17/49/45/228174945.db2.gz QLQVDTOOFVXKBD-NSHDSACASA-N 1 2 275.356 1.469 20 30 CDEDLO C#C[C@@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)C(C)C ZINC000374279923 260255482 /nfs/dbraw/zinc/25/54/82/260255482.db2.gz MIBPGONWELKDHB-ZIAGYGMSSA-N 1 2 288.395 1.967 20 30 CDEDLO Cc1ccc([C@@H](C)NC(=O)CO[NH+]=C(N)CCO)cc1C ZINC000136071857 260923430 /nfs/dbraw/zinc/92/34/30/260923430.db2.gz BETGGWNYFGXFGU-GFCCVEGCSA-N 1 2 293.367 1.152 20 30 CDEDLO NC(CCO)=[NH+]O[C@@H]1CCCc2ccc(F)cc21 ZINC000136066256 260923783 /nfs/dbraw/zinc/92/37/83/260923783.db2.gz OFTSLACICKGZMS-GFCCVEGCSA-N 1 2 252.289 1.874 20 30 CDEDLO N#CC1(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCC1 ZINC000152818234 261070185 /nfs/dbraw/zinc/07/01/85/261070185.db2.gz MHPRLNKYDOAWGA-LBPRGKRZSA-N 1 2 270.336 1.470 20 30 CDEDLO C#CC[N@@H+](CC#CC)CC(=O)N(C)Cc1ccccc1 ZINC000490714314 261191805 /nfs/dbraw/zinc/19/18/05/261191805.db2.gz OPJDGRVVTRZAFF-UHFFFAOYSA-N 1 2 268.360 1.604 20 30 CDEDLO C#CC[N@H+](CC#CC)CC(=O)N(C)Cc1ccccc1 ZINC000490714314 261191807 /nfs/dbraw/zinc/19/18/07/261191807.db2.gz OPJDGRVVTRZAFF-UHFFFAOYSA-N 1 2 268.360 1.604 20 30 CDEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000177395701 261353312 /nfs/dbraw/zinc/35/33/12/261353312.db2.gz XLBGZNDMBLRBEV-NSHDSACASA-N 1 2 291.376 1.425 20 30 CDEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000177395701 261353314 /nfs/dbraw/zinc/35/33/14/261353314.db2.gz XLBGZNDMBLRBEV-NSHDSACASA-N 1 2 291.376 1.425 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)[C@]2(CCCO2)[C@@H]1C(C)C ZINC000491817414 262090200 /nfs/dbraw/zinc/09/02/00/262090200.db2.gz YOGLSXMODSORLG-YDHLFZDLSA-N 1 2 264.369 1.313 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)[C@]2(CCCO2)[C@@H]1C(C)C ZINC000491817414 262090202 /nfs/dbraw/zinc/09/02/02/262090202.db2.gz YOGLSXMODSORLG-YDHLFZDLSA-N 1 2 264.369 1.313 20 30 CDEDLO CCOCCO[NH+]=C(N)COc1cc(F)cc(F)c1 ZINC000186838669 262112320 /nfs/dbraw/zinc/11/23/20/262112320.db2.gz NVMYZSNWXXXYMO-UHFFFAOYSA-N 1 2 274.267 1.669 20 30 CDEDLO COc1cccc(C(N)=[NH+]OCCOCC(F)F)c1 ZINC000189305035 262170382 /nfs/dbraw/zinc/17/03/82/262170382.db2.gz FTKHMIPNEYZZAO-UHFFFAOYSA-N 1 2 274.267 1.614 20 30 CDEDLO N#CCCCNC(=O)NCCCCNc1cccc[nH+]1 ZINC000273566400 263017995 /nfs/dbraw/zinc/01/79/95/263017995.db2.gz NTLRBVZMPZZNOL-UHFFFAOYSA-N 1 2 275.356 1.877 20 30 CDEDLO Cc1nnc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)s1 ZINC000273606412 263018394 /nfs/dbraw/zinc/01/83/94/263018394.db2.gz MOSOPHGCYSDTTF-TVQRCGJNSA-N 1 2 295.412 1.552 20 30 CDEDLO CO/N=C/C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000283131908 263081534 /nfs/dbraw/zinc/08/15/34/263081534.db2.gz RLCZVAVQVGVTFY-SXGUVYOMSA-N 1 2 285.294 1.316 20 30 CDEDLO COC(=O)c1ccc(CO[NH+]=C(N)[C@@H]2CCCO2)cc1F ZINC000283757681 263084118 /nfs/dbraw/zinc/08/41/18/263084118.db2.gz APMWKASKQZZRAB-LBPRGKRZSA-N 1 2 296.298 1.580 20 30 CDEDLO NC(=[NH+]OCc1cccc2nsnc21)[C@@H]1CCCO1 ZINC000283761784 263084191 /nfs/dbraw/zinc/08/41/91/263084191.db2.gz AZOPVLPIAXVHOX-JTQLQIEISA-N 1 2 278.337 1.659 20 30 CDEDLO CO[C@@H](CO[NH+]=C(N)[C@@H]1CCCO1)c1ccccc1 ZINC000283939668 263085054 /nfs/dbraw/zinc/08/50/54/263085054.db2.gz FKRBUFTZDQKRMB-STQMWFEESA-N 1 2 264.325 1.842 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000284832194 263088043 /nfs/dbraw/zinc/08/80/43/263088043.db2.gz BEZRRCVEVDWUIY-OAHLLOKOSA-N 1 2 275.352 1.864 20 30 CDEDLO Cc1ncc(CO)c(/C=[NH+]/C[C@H]2CCOC[C@@H]2C)c1O ZINC000285277547 263091677 /nfs/dbraw/zinc/09/16/77/263091677.db2.gz IFUYNMKJEVFWGT-JIBFKWKHSA-N 1 2 278.352 1.679 20 30 CDEDLO Cn1nncc1CO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000289410595 263109883 /nfs/dbraw/zinc/10/98/83/263109883.db2.gz PISBJDDEOMFDIZ-UHFFFAOYSA-N 1 2 279.731 1.500 20 30 CDEDLO C=CCN(CCC#N)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000293310106 263139170 /nfs/dbraw/zinc/13/91/70/263139170.db2.gz XFVCJODNSKEYNG-UHFFFAOYSA-N 1 2 286.335 1.565 20 30 CDEDLO COCCO[NH+]=C(N)c1cc(Cl)c(OC)c(OC)c1 ZINC000299216265 263235831 /nfs/dbraw/zinc/23/58/31/263235831.db2.gz NMOSYBFJZYPQRL-UHFFFAOYSA-N 1 2 288.731 1.641 20 30 CDEDLO C=CC[C@@H](C)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000121010363 263290351 /nfs/dbraw/zinc/29/03/51/263290351.db2.gz IAYXVPZENAQKAX-OLZOCXBDSA-N 1 2 274.368 1.924 20 30 CDEDLO C=CCN(Cc1cc(OC)cc[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000121175044 263291629 /nfs/dbraw/zinc/29/16/29/263291629.db2.gz QUJDYJWFTFUNEI-CYBMUJFWSA-N 1 2 296.392 1.265 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000341452133 263335849 /nfs/dbraw/zinc/33/58/49/263335849.db2.gz DQWCBIRLIJPNDQ-CYBMUJFWSA-N 1 2 269.389 1.315 20 30 CDEDLO CCOC(=O)[C@@H](C)[NH+]1CCC(C#N)(COC)CC1 ZINC000341981857 263369718 /nfs/dbraw/zinc/36/97/18/263369718.db2.gz RNHMXWKEESEZEF-LLVKDONJSA-N 1 2 254.330 1.190 20 30 CDEDLO C[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[C@@H](C)O1 ZINC000328607825 263828075 /nfs/dbraw/zinc/82/80/75/263828075.db2.gz LMIPUEFNCGVABS-UPJWGTAASA-N 1 2 292.383 1.784 20 30 CDEDLO CCc1nnc([C@@H](C)[N@H+](C)CCNC(=O)N(C)C)o1 ZINC000330705459 264019395 /nfs/dbraw/zinc/01/93/95/264019395.db2.gz SDSBZFQQYPVOIE-SECBINFHSA-N 1 2 269.349 1.100 20 30 CDEDLO CCc1nnc([C@@H](C)[N@@H+](C)CCNC(=O)N(C)C)o1 ZINC000330705459 264019397 /nfs/dbraw/zinc/01/93/97/264019397.db2.gz SDSBZFQQYPVOIE-SECBINFHSA-N 1 2 269.349 1.100 20 30 CDEDLO CCCNC(=O)NC(=O)C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331340365 264194210 /nfs/dbraw/zinc/19/42/10/264194210.db2.gz XEERSDMKCRGKNZ-NSHDSACASA-N 1 2 285.388 1.174 20 30 CDEDLO CCCNC(=O)NC(=O)C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331340365 264194212 /nfs/dbraw/zinc/19/42/12/264194212.db2.gz XEERSDMKCRGKNZ-NSHDSACASA-N 1 2 285.388 1.174 20 30 CDEDLO C=C[C@@H](C)NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000334046737 264228210 /nfs/dbraw/zinc/22/82/10/264228210.db2.gz FGMILLFKWNFINK-TZMCWYRMSA-N 1 2 299.440 1.068 20 30 CDEDLO C[C@@H]([NH2+]CC(=O)NCC#N)c1nc(C(C)(C)C)cs1 ZINC000184466312 264793012 /nfs/dbraw/zinc/79/30/12/264793012.db2.gz ZXUUGGNIYFNFDV-SECBINFHSA-N 1 2 280.397 1.731 20 30 CDEDLO C=CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000048844521 424317455 /nfs/dbraw/zinc/31/74/55/424317455.db2.gz SJTHXMRUDARZAL-GFCCVEGCSA-N 1 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/nfs/dbraw/zinc/18/21/62/280182162.db2.gz QOGVLPJMFXWWGG-CABZTGNLSA-N 1 2 253.309 1.998 20 30 CDEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H](C(N)=O)C1 ZINC000248912786 280393800 /nfs/dbraw/zinc/39/38/00/280393800.db2.gz YSPQIACRHZWGEH-IINYFYTJSA-N 1 2 275.327 1.783 20 30 CDEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H](C(N)=O)C1 ZINC000248912786 280393801 /nfs/dbraw/zinc/39/38/01/280393801.db2.gz YSPQIACRHZWGEH-IINYFYTJSA-N 1 2 275.327 1.783 20 30 CDEDLO Cc1csc(NC(=O)NCc2[nH+]ccn2C)c1C#N ZINC000562441882 290523379 /nfs/dbraw/zinc/52/33/79/290523379.db2.gz FHXNJMUTOAGAAX-UHFFFAOYSA-N 1 2 275.337 1.983 20 30 CDEDLO CC(C)(NC(=O)Cc1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000563285325 293334379 /nfs/dbraw/zinc/33/43/79/293334379.db2.gz NWPFPHSKNSTNDV-UHFFFAOYSA-N 1 2 268.320 1.875 20 30 CDEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000571138895 328087721 /nfs/dbraw/zinc/08/77/21/328087721.db2.gz NUYMWGUBJMQBGM-AWEZNQCLSA-N 1 2 290.323 1.477 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1cccc(O)c1 ZINC000571493904 328125297 /nfs/dbraw/zinc/12/52/97/328125297.db2.gz BGRPMHHNYMHDFZ-INIZCTEOSA-N 1 2 289.379 1.878 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000571493904 328125299 /nfs/dbraw/zinc/12/52/99/328125299.db2.gz BGRPMHHNYMHDFZ-INIZCTEOSA-N 1 2 289.379 1.878 20 30 CDEDLO C[C@@H](CC#N)N(C)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000264010183 328156746 /nfs/dbraw/zinc/15/67/46/328156746.db2.gz AKOFCAFYYJCLNP-NSHDSACASA-N 1 2 269.308 1.641 20 30 CDEDLO N#CCCCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000273337193 328205034 /nfs/dbraw/zinc/20/50/34/328205034.db2.gz ZPPPDEAAULOJRE-NSHDSACASA-N 1 2 261.329 1.950 20 30 CDEDLO C[C@@H](C#N)CNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000582142137 328300420 /nfs/dbraw/zinc/30/04/20/328300420.db2.gz SVSJINZMUNYGPV-LBPRGKRZSA-N 1 2 276.340 1.266 20 30 CDEDLO N#Cc1cc(F)ccc1NC(=O)NCCn1cc[nH+]c1 ZINC000193607434 323533222 /nfs/dbraw/zinc/53/32/22/323533222.db2.gz SJYRBIHDIPYHSH-UHFFFAOYSA-N 1 2 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/nfs/dbraw/zinc/15/02/04/331150204.db2.gz SKPLUMCXHCNLSK-UHFFFAOYSA-N 1 2 269.389 1.363 20 30 CDEDLO C=C(C)CCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000454633774 331150205 /nfs/dbraw/zinc/15/02/05/331150205.db2.gz SKPLUMCXHCNLSK-UHFFFAOYSA-N 1 2 269.389 1.363 20 30 CDEDLO C=CC(C)(C)CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000454641272 331150347 /nfs/dbraw/zinc/15/03/47/331150347.db2.gz FFXFAAHFMIUKPW-GFCCVEGCSA-N 1 2 269.389 1.219 20 30 CDEDLO C=CC(C)(C)CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000454641272 331150348 /nfs/dbraw/zinc/15/03/48/331150348.db2.gz FFXFAAHFMIUKPW-GFCCVEGCSA-N 1 2 269.389 1.219 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000455315698 331165776 /nfs/dbraw/zinc/16/57/76/331165776.db2.gz CCYQYPYQYSPNCK-LBPRGKRZSA-N 1 2 274.324 1.783 20 30 CDEDLO C=CCOc1cccnc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000457732373 331232751 /nfs/dbraw/zinc/23/27/51/331232751.db2.gz ZIRYFYCUWUGYEH-UHFFFAOYSA-N 1 2 275.352 1.469 20 30 CDEDLO C#CCN(CC#N)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000491019737 332139370 /nfs/dbraw/zinc/13/93/70/332139370.db2.gz CCNZNFZPXSAVDX-VMPITWQZSA-N 1 2 290.326 1.871 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CCC(C)C)n2CC)CC1 ZINC000491155208 332157943 /nfs/dbraw/zinc/15/79/43/332157943.db2.gz PFYSXXHLRQMVDQ-UHFFFAOYSA-N 1 2 289.427 1.642 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CCCC)n2CC)CC1 ZINC000491266473 332177301 /nfs/dbraw/zinc/17/73/01/332177301.db2.gz PAXZUTFBHOBLHB-UHFFFAOYSA-N 1 2 275.400 1.396 20 30 CDEDLO C#CC[N@@H+](CC#CC)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000491375223 332200180 /nfs/dbraw/zinc/20/01/80/332200180.db2.gz VGSFAIAJMMJNPH-LBPRGKRZSA-N 1 2 286.297 1.498 20 30 CDEDLO C#CC[N@H+](CC#CC)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000491375223 332200182 /nfs/dbraw/zinc/20/01/82/332200182.db2.gz VGSFAIAJMMJNPH-LBPRGKRZSA-N 1 2 286.297 1.498 20 30 CDEDLO C#C[C@@H](CC)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000491536477 332231727 /nfs/dbraw/zinc/23/17/27/332231727.db2.gz JVPZHQKXVXQQTJ-LBPRGKRZSA-N 1 2 298.302 1.922 20 30 CDEDLO C#C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000491711444 332302778 /nfs/dbraw/zinc/30/27/78/332302778.db2.gz WQPSDNCORXXYBT-VXGBXAGGSA-N 1 2 259.353 1.610 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000491734455 332315273 /nfs/dbraw/zinc/31/52/73/332315273.db2.gz LCKCBKWXGGGLAS-ZDUSSCGKSA-N 1 2 274.368 1.749 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccnn1C1CCCC1 ZINC000491764363 332332896 /nfs/dbraw/zinc/33/28/96/332332896.db2.gz CVIHSXJFQNMXSO-LBPRGKRZSA-N 1 2 274.368 1.890 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccnn1C1CCCC1 ZINC000491764363 332332897 /nfs/dbraw/zinc/33/28/97/332332897.db2.gz CVIHSXJFQNMXSO-LBPRGKRZSA-N 1 2 274.368 1.890 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCOc1ccc(OC)cc1 ZINC000491780765 332345221 /nfs/dbraw/zinc/34/52/21/332345221.db2.gz LBBSKLPZKWYKGY-ZDUSSCGKSA-N 1 2 261.321 1.408 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCOc1ccc(OC)cc1 ZINC000491780765 332345222 /nfs/dbraw/zinc/34/52/22/332345222.db2.gz LBBSKLPZKWYKGY-ZDUSSCGKSA-N 1 2 261.321 1.408 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000491785969 332348650 /nfs/dbraw/zinc/34/86/50/332348650.db2.gz SBMOQVKERJMFEZ-ZDUSSCGKSA-N 1 2 287.363 1.863 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C[C@@](C)(c2ccc(C)cc2)C1=O ZINC000491786477 332349235 /nfs/dbraw/zinc/34/92/35/332349235.db2.gz OWRRBUPJEXEZJA-KSSFIOAISA-N 1 2 298.386 1.923 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C[C@@](C)(c2ccc(C)cc2)C1=O ZINC000491786477 332349237 /nfs/dbraw/zinc/34/92/37/332349237.db2.gz OWRRBUPJEXEZJA-KSSFIOAISA-N 1 2 298.386 1.923 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@@](CC)(C2CC2)C1=O ZINC000491804025 332357947 /nfs/dbraw/zinc/35/79/47/332357947.db2.gz KFSFBMCOSHEMMC-HZMBPMFUSA-N 1 2 263.341 1.008 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@@](CC)(C2CC2)C1=O ZINC000491804025 332357948 /nfs/dbraw/zinc/35/79/48/332357948.db2.gz KFSFBMCOSHEMMC-HZMBPMFUSA-N 1 2 263.341 1.008 20 30 CDEDLO C#C[C@H]1COCCN1C(=O)Nc1ccc(C)[nH+]c1C ZINC000491805138 332358759 /nfs/dbraw/zinc/35/87/59/332358759.db2.gz NIWUMQBUOSEPHD-LBPRGKRZSA-N 1 2 259.309 1.564 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000192228382 333232953 /nfs/dbraw/zinc/23/29/53/333232953.db2.gz FDVXLECAEFGSLU-UHFFFAOYSA-N 1 2 261.712 1.715 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000192228382 333232955 /nfs/dbraw/zinc/23/29/55/333232955.db2.gz FDVXLECAEFGSLU-UHFFFAOYSA-N 1 2 261.712 1.715 20 30 CDEDLO CC(C)[C@@H](C(=O)NCC1(C#N)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576182763 335166293 /nfs/dbraw/zinc/16/62/93/335166293.db2.gz PMEWRSSBWBEDQL-MJBXVCDLSA-N 1 2 293.411 1.540 20 30 CDEDLO CC(C)[C@@H](C(=O)NCC1(C#N)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576182763 335166294 /nfs/dbraw/zinc/16/62/94/335166294.db2.gz PMEWRSSBWBEDQL-MJBXVCDLSA-N 1 2 293.411 1.540 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1cnn(C)c1 ZINC000078643988 334138238 /nfs/dbraw/zinc/13/82/38/334138238.db2.gz GZAXBNYBPQWSKZ-CYBMUJFWSA-N 1 2 278.400 1.665 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1cnn(C)c1 ZINC000078643988 334138239 /nfs/dbraw/zinc/13/82/39/334138239.db2.gz GZAXBNYBPQWSKZ-CYBMUJFWSA-N 1 2 278.400 1.665 20 30 CDEDLO N#CC1(C[N@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)CC1 ZINC000550226190 334216688 /nfs/dbraw/zinc/21/66/88/334216688.db2.gz GTTKNOPGOYUONA-HNNXBMFYSA-N 1 2 283.375 1.723 20 30 CDEDLO N#CC1(C[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)CC1 ZINC000550226190 334216689 /nfs/dbraw/zinc/21/66/89/334216689.db2.gz GTTKNOPGOYUONA-HNNXBMFYSA-N 1 2 283.375 1.723 20 30 CDEDLO COC[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H](C)O1 ZINC000251924023 334371927 /nfs/dbraw/zinc/37/19/27/334371927.db2.gz SPKPBCCYADHOGA-CJNGLKHVSA-N 1 2 277.339 1.913 20 30 CDEDLO COC[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H](C)O1 ZINC000251924023 334371928 /nfs/dbraw/zinc/37/19/28/334371928.db2.gz SPKPBCCYADHOGA-CJNGLKHVSA-N 1 2 277.339 1.913 20 30 CDEDLO COc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000565429332 334563141 /nfs/dbraw/zinc/56/31/41/334563141.db2.gz XHMIQDHQOCJEQT-AWEZNQCLSA-N 1 2 261.325 1.269 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](CC(=O)NC1(C#N)CC1)C(F)(F)F ZINC000577526577 335364837 /nfs/dbraw/zinc/36/48/37/335364837.db2.gz CJEHNCBJGNONQD-MRVPVSSYSA-N 1 2 286.257 1.628 20 30 CDEDLO COc1ncnc(OC)c1CNc1[nH+]cccc1CC#N ZINC001167682576 1159389957 /nfs/dbraw/zinc/38/99/57/1159389957.db2.gz IRGHDCZWJFSUMG-UHFFFAOYSA-N 1 2 285.307 1.567 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](CO)[NH2+]Cc1nccs1 ZINC001755638093 1160436431 /nfs/dbraw/zinc/43/64/31/1160436431.db2.gz NMLFSBUJJLJPSJ-RISCZKNCSA-N 1 2 297.424 1.312 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)CCC)c1nccn12 ZINC001101602835 1160548926 /nfs/dbraw/zinc/54/89/26/1160548926.db2.gz PZTZRYQWGDRONX-LBPRGKRZSA-N 1 2 274.368 1.441 20 30 CDEDLO CCC(CC)C(=O)N1CC[NH+](CC#CCOC)CC1 ZINC000677817144 482792015 /nfs/dbraw/zinc/79/20/15/482792015.db2.gz JCEDPWCEUIJINL-UHFFFAOYSA-N 1 2 266.385 1.217 20 30 CDEDLO C=CCCOCC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673726035 482827327 /nfs/dbraw/zinc/82/73/27/482827327.db2.gz HZERQQHNQZHOSE-UHFFFAOYSA-N 1 2 287.363 1.894 20 30 CDEDLO C=CCC[N@@H+](C)Cc1nnnn1Cc1ccccc1 ZINC000682434919 483227393 /nfs/dbraw/zinc/22/73/93/483227393.db2.gz CDDFXFUKWAFDEU-UHFFFAOYSA-N 1 2 257.341 1.729 20 30 CDEDLO C=CCC[N@H+](C)Cc1nnnn1Cc1ccccc1 ZINC000682434919 483227396 /nfs/dbraw/zinc/22/73/96/483227396.db2.gz CDDFXFUKWAFDEU-UHFFFAOYSA-N 1 2 257.341 1.729 20 30 CDEDLO C=CCOCCNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000685820236 483229302 /nfs/dbraw/zinc/22/93/02/483229302.db2.gz RMHKXADFGYNKJJ-UHFFFAOYSA-N 1 2 299.374 1.793 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)ncn2C)[C@H]1C ZINC001088639819 1160671278 /nfs/dbraw/zinc/67/12/78/1160671278.db2.gz QYTHUWWWAQVJKT-NEPJUHHUSA-N 1 2 296.802 1.674 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C(F)=C(C)C)[C@H](OC)C1 ZINC001212129384 1160829566 /nfs/dbraw/zinc/82/95/66/1160829566.db2.gz QVRBHCYSJKHUGP-VXGBXAGGSA-N 1 2 268.332 1.089 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C(F)=C(C)C)[C@H](OC)C1 ZINC001212129384 1160829571 /nfs/dbraw/zinc/82/95/71/1160829571.db2.gz QVRBHCYSJKHUGP-VXGBXAGGSA-N 1 2 268.332 1.089 20 30 CDEDLO CC[C@H](F)C[N@@H+]1C[C@H]2OCCN(C(=O)C#CC3CC3)[C@H]2C1 ZINC001083077058 1161584786 /nfs/dbraw/zinc/58/47/86/1161584786.db2.gz QNFFZJKBVVBHNY-SOUVJXGZSA-N 1 2 294.370 1.060 20 30 CDEDLO CC[C@H](F)C[N@H+]1C[C@H]2OCCN(C(=O)C#CC3CC3)[C@H]2C1 ZINC001083077058 1161584790 /nfs/dbraw/zinc/58/47/90/1161584790.db2.gz QNFFZJKBVVBHNY-SOUVJXGZSA-N 1 2 294.370 1.060 20 30 CDEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)C1CC1 ZINC001085450149 1161941597 /nfs/dbraw/zinc/94/15/97/1161941597.db2.gz LWAHVRMHCKUTGR-KRWDZBQOSA-N 1 2 282.387 1.981 20 30 CDEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)C1CC1 ZINC001085450149 1161941599 /nfs/dbraw/zinc/94/15/99/1161941599.db2.gz LWAHVRMHCKUTGR-KRWDZBQOSA-N 1 2 282.387 1.981 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2oc(C)cc2C)CC1 ZINC001112755479 1162052614 /nfs/dbraw/zinc/05/26/14/1162052614.db2.gz HTOJWQDNYAAILD-UHFFFAOYSA-N 1 2 292.379 1.857 20 30 CDEDLO C#CC[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000049356060 518270038 /nfs/dbraw/zinc/27/00/38/518270038.db2.gz VAUNTFUROCTCGV-UHFFFAOYSA-N 1 2 275.327 1.015 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)C(C)(C)C(F)F)CC1 ZINC001113325124 1162157351 /nfs/dbraw/zinc/15/73/51/1162157351.db2.gz WMNKCCPXMPCKPO-UHFFFAOYSA-N 1 2 290.354 1.625 20 30 CDEDLO C=CCNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000114780359 526584778 /nfs/dbraw/zinc/58/47/78/526584778.db2.gz NKMINDOPUAFRJW-ZDUSSCGKSA-N 1 2 274.368 1.656 20 30 CDEDLO N#Cc1ccccc1OCC(=O)NCCCn1cc[nH+]c1 ZINC000020298979 526746246 /nfs/dbraw/zinc/74/62/46/526746246.db2.gz BPGYINTXLAWCHV-UHFFFAOYSA-N 1 2 284.319 1.340 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000332149562 526799207 /nfs/dbraw/zinc/79/92/07/526799207.db2.gz MUWUCRFAGHDGDQ-IPYPFGDCSA-N 1 2 289.379 1.543 20 30 CDEDLO C=C1CC[NH+](CC(=O)NC(=O)NCc2ccco2)CC1 ZINC000332577317 526903080 /nfs/dbraw/zinc/90/30/80/526903080.db2.gz ZKSGNJCQEBXODM-UHFFFAOYSA-N 1 2 277.324 1.257 20 30 CDEDLO C=CC[C@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000345011045 527129660 /nfs/dbraw/zinc/12/96/60/527129660.db2.gz KGOOEVWLISUSRQ-MELADBBJSA-N 1 2 281.400 1.456 20 30 CDEDLO Cc1[nH+]c2ccccn2c1Cn1c(N)nc(C#N)c1C#N ZINC000150872364 527179146 /nfs/dbraw/zinc/17/91/46/527179146.db2.gz RUASYOYUAAMEIZ-UHFFFAOYSA-N 1 2 277.291 1.213 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000331539774 528696084 /nfs/dbraw/zinc/69/60/84/528696084.db2.gz VKHJRHMSIWLKEU-IPYPFGDCSA-N 1 2 293.411 1.494 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000331539774 528696087 /nfs/dbraw/zinc/69/60/87/528696087.db2.gz VKHJRHMSIWLKEU-IPYPFGDCSA-N 1 2 293.411 1.494 20 30 CDEDLO O=C(N[C@H]1CCCS(=O)(=O)C1)c1ccc2[nH+]ccn2c1 ZINC000329350323 538561078 /nfs/dbraw/zinc/56/10/78/538561078.db2.gz SYBOTPLHAHCZEK-NSHDSACASA-N 1 2 293.348 1.216 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)c1ccccc1SCC#N ZINC000728545290 574636505 /nfs/dbraw/zinc/63/65/05/574636505.db2.gz XNYSEHIQZLIQRC-UHFFFAOYSA-N 1 2 286.360 1.966 20 30 CDEDLO C#Cc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)nc1 ZINC000728860550 574661915 /nfs/dbraw/zinc/66/19/15/574661915.db2.gz AJZIVGXQJCGHNT-UHFFFAOYSA-N 1 2 298.371 1.760 20 30 CDEDLO C#Cc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)nc1 ZINC000728860550 574661917 /nfs/dbraw/zinc/66/19/17/574661917.db2.gz AJZIVGXQJCGHNT-UHFFFAOYSA-N 1 2 298.371 1.760 20 30 CDEDLO O=C1CCCCN1CCC/[NH+]=C/c1cccc(O)c1O ZINC000730146534 574853694 /nfs/dbraw/zinc/85/36/94/574853694.db2.gz ANLCUDFDVCBACZ-LFIBNONCSA-N 1 2 276.336 1.919 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000730280248 574908910 /nfs/dbraw/zinc/90/89/10/574908910.db2.gz PPMPBZVXIOOZDZ-AWEZNQCLSA-N 1 2 296.326 1.829 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000730280248 574908913 /nfs/dbraw/zinc/90/89/13/574908913.db2.gz PPMPBZVXIOOZDZ-AWEZNQCLSA-N 1 2 296.326 1.829 20 30 CDEDLO N#Cc1ccccc1C=CC(=O)NCc1c[nH+]c[nH]1 ZINC000754296395 575012031 /nfs/dbraw/zinc/01/20/31/575012031.db2.gz PKVPDJPUJPZGGW-WAYWQWQTSA-N 1 2 252.277 1.611 20 30 CDEDLO N#Cc1ccccc1C=CC(=O)NCc1c[nH]c[nH+]1 ZINC000754296395 575012033 /nfs/dbraw/zinc/01/20/33/575012033.db2.gz PKVPDJPUJPZGGW-WAYWQWQTSA-N 1 2 252.277 1.611 20 30 CDEDLO CC(C)[N@H+]1CC(=NNCC(C)(C)S(C)(=O)=O)[C@H](C)C1 ZINC000774496480 575208749 /nfs/dbraw/zinc/20/87/49/575208749.db2.gz LXUYGYKAQXOGAO-LLVKDONJSA-N 1 2 289.445 1.115 20 30 CDEDLO CC(C)[N@@H+]1CC(=NNCC(C)(C)S(C)(=O)=O)[C@H](C)C1 ZINC000774496480 575208753 /nfs/dbraw/zinc/20/87/53/575208753.db2.gz LXUYGYKAQXOGAO-LLVKDONJSA-N 1 2 289.445 1.115 20 30 CDEDLO C=CCNC(=O)COC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000741150829 576540079 /nfs/dbraw/zinc/54/00/79/576540079.db2.gz NYBDCXVCINUAQN-HNNXBMFYSA-N 1 2 290.363 1.525 20 30 CDEDLO C=CCNC(=O)COC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000741150829 576540082 /nfs/dbraw/zinc/54/00/82/576540082.db2.gz NYBDCXVCINUAQN-HNNXBMFYSA-N 1 2 290.363 1.525 20 30 CDEDLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1CC(=O)NCCC#N ZINC000770005166 575451734 /nfs/dbraw/zinc/45/17/34/575451734.db2.gz YODSLYBHQJLMRV-HNNXBMFYSA-N 1 2 295.383 1.214 20 30 CDEDLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1CC(=O)NCCC#N ZINC000770005166 575451736 /nfs/dbraw/zinc/45/17/36/575451736.db2.gz YODSLYBHQJLMRV-HNNXBMFYSA-N 1 2 295.383 1.214 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)c1ccccc1OCC#N ZINC000773854715 575841673 /nfs/dbraw/zinc/84/16/73/575841673.db2.gz XEPKKJUXOJZGHL-UHFFFAOYSA-N 1 2 284.319 1.295 20 30 CDEDLO COc1cc(C#N)ccc1C[NH+]1CC(O)(C(C)C)C1 ZINC000773892515 575843565 /nfs/dbraw/zinc/84/35/65/575843565.db2.gz GCNGRITXNMEGCT-UHFFFAOYSA-N 1 2 260.337 1.770 20 30 CDEDLO COc1ccc2c(c1)[nH+]ccc2N1CCO[C@@H](C#N)C1 ZINC000765495027 576030700 /nfs/dbraw/zinc/03/07/00/576030700.db2.gz OEIUNJSLCRNUDA-LBPRGKRZSA-N 1 2 269.304 1.972 20 30 CDEDLO C#CCCN(CC(F)(F)F)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000768617411 576300490 /nfs/dbraw/zinc/30/04/90/576300490.db2.gz FIYBNSNRSRSOMJ-NSHDSACASA-N 1 2 299.296 1.860 20 30 CDEDLO O=C([O-])N1C/C(=C\c2[nH]cc[nH+]2)C(=O)/C(=C/c2[nH]cc[nH+]2)C1 ZINC000740307029 576459980 /nfs/dbraw/zinc/45/99/80/576459980.db2.gz HEHWDCUJSXEQLA-NXZHAISVSA-N 1 2 299.290 1.163 20 30 CDEDLO N#CCOc1cccc(CC(=O)NCc2c[nH+]c[nH]2)c1 ZINC000760587581 576495735 /nfs/dbraw/zinc/49/57/35/576495735.db2.gz MAEYIQCZKKXITC-UHFFFAOYSA-N 1 2 270.292 1.171 20 30 CDEDLO N#CCOc1cccc(CC(=O)NCc2c[nH]c[nH+]2)c1 ZINC000760587581 576495737 /nfs/dbraw/zinc/49/57/37/576495737.db2.gz MAEYIQCZKKXITC-UHFFFAOYSA-N 1 2 270.292 1.171 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1ccc2c(c1)OCCO2 ZINC000744409811 576679328 /nfs/dbraw/zinc/67/93/28/576679328.db2.gz HGECZIPNDMWXCZ-UHFFFAOYSA-N 1 2 255.317 1.916 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1ccc2c(c1)OCCO2 ZINC000744409811 576679330 /nfs/dbraw/zinc/67/93/30/576679330.db2.gz HGECZIPNDMWXCZ-UHFFFAOYSA-N 1 2 255.317 1.916 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)[C@H](C)Oc2ccccc2F)CC1 ZINC000744422483 576679823 /nfs/dbraw/zinc/67/98/23/576679823.db2.gz XBNRCISIQYKIGX-ZDUSSCGKSA-N 1 2 290.338 1.370 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2cc3ccsc3[nH]2)CC1 ZINC000744422344 576680043 /nfs/dbraw/zinc/68/00/43/576680043.db2.gz NALRZZFDXBGZCR-UHFFFAOYSA-N 1 2 273.361 1.620 20 30 CDEDLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)N(C)CCC#N ZINC000745085519 576713935 /nfs/dbraw/zinc/71/39/35/576713935.db2.gz FTOFLQMWBFNLOW-STQMWFEESA-N 1 2 295.383 1.165 20 30 CDEDLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)N(C)CCC#N ZINC000745085519 576713936 /nfs/dbraw/zinc/71/39/36/576713936.db2.gz FTOFLQMWBFNLOW-STQMWFEESA-N 1 2 295.383 1.165 20 30 CDEDLO CCN(CCC#N)C(=O)COC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000745086901 576715075 /nfs/dbraw/zinc/71/50/75/576715075.db2.gz PBOBZWQWKFDIPY-CYBMUJFWSA-N 1 2 295.383 1.166 20 30 CDEDLO CCN(CCC#N)C(=O)COC(=O)[C@H]1CCCC[N@H+]1CC ZINC000745086901 576715078 /nfs/dbraw/zinc/71/50/78/576715078.db2.gz PBOBZWQWKFDIPY-CYBMUJFWSA-N 1 2 295.383 1.166 20 30 CDEDLO COCC(N=NC1=[NH+][C@@H]2CCCC[C@H]2N1)C(C)C ZINC000753929215 576866693 /nfs/dbraw/zinc/86/66/93/576866693.db2.gz PNDKEPPROUSITC-GHMZBOCLSA-N 1 2 252.362 1.505 20 30 CDEDLO CCn1cc[nH+]c1CN=Nc1ccc(Cl)nn1 ZINC000755481302 576946437 /nfs/dbraw/zinc/94/64/37/576946437.db2.gz MONUHEOWVUFPHV-UHFFFAOYSA-N 1 2 250.693 1.792 20 30 CDEDLO CCCCCCCN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000755954300 576971046 /nfs/dbraw/zinc/97/10/46/576971046.db2.gz OXLKQSZNWJWPNC-GOSISDBHSA-N 1 2 274.474 1.953 20 30 CDEDLO C#CCCCNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000750422752 576987720 /nfs/dbraw/zinc/98/77/20/576987720.db2.gz AWYRGMHBQVJUAC-UHFFFAOYSA-N 1 2 260.341 1.991 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)[C@@H]2CSCCS2)CC1 ZINC000750994842 577021322 /nfs/dbraw/zinc/02/13/22/577021322.db2.gz BDBQPQIGPCTLGJ-LBPRGKRZSA-N 1 2 284.450 1.003 20 30 CDEDLO CC(C)=C(C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000751193126 577029445 /nfs/dbraw/zinc/02/94/45/577029445.db2.gz KXBWBKOZPGOTIM-UHFFFAOYSA-N 1 2 279.384 1.417 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)N2CCC[C@@](C)(C#N)C2)CCO1 ZINC000753145687 577149073 /nfs/dbraw/zinc/14/90/73/577149073.db2.gz AHMQFUDJVLREKT-ZFWWWQNUSA-N 1 2 294.399 1.042 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)N2CCC[C@@](C)(C#N)C2)CCO1 ZINC000753145687 577149074 /nfs/dbraw/zinc/14/90/74/577149074.db2.gz AHMQFUDJVLREKT-ZFWWWQNUSA-N 1 2 294.399 1.042 20 30 CDEDLO C#C[C@@H](CC)NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000753273328 577158835 /nfs/dbraw/zinc/15/88/35/577158835.db2.gz PZYICKTVYSFGBM-ZDUSSCGKSA-N 1 2 291.420 1.987 20 30 CDEDLO CC[N@@H+](CCC#N)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000821206474 606080762 /nfs/dbraw/zinc/08/07/62/606080762.db2.gz BNWQRSKTWSFVPW-UHFFFAOYSA-N 1 2 286.339 1.481 20 30 CDEDLO CC[N@H+](CCC#N)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000821206474 606080767 /nfs/dbraw/zinc/08/07/67/606080767.db2.gz BNWQRSKTWSFVPW-UHFFFAOYSA-N 1 2 286.339 1.481 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000823878082 608069619 /nfs/dbraw/zinc/06/96/19/608069619.db2.gz NYXYNAADPHKRSA-AWEZNQCLSA-N 1 2 285.351 1.816 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000823878082 608069620 /nfs/dbraw/zinc/06/96/20/608069620.db2.gz NYXYNAADPHKRSA-AWEZNQCLSA-N 1 2 285.351 1.816 20 30 CDEDLO C#CC[NH2+][C@@H]1CCN(C(=O)c2c(Cl)[nH]nc2C2CC2)C1 ZINC000968886866 612964062 /nfs/dbraw/zinc/96/40/62/612964062.db2.gz DZJOLONICRKTQY-SNVBAGLBSA-N 1 2 292.770 1.378 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnoc2C2CC2)C1 ZINC000957082484 612992827 /nfs/dbraw/zinc/99/28/27/612992827.db2.gz DDVAVLYZVISKGJ-UHFFFAOYSA-N 1 2 287.363 1.722 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2cc([C@H](C)CC)no2)CC1 ZINC000982114216 613158080 /nfs/dbraw/zinc/15/80/80/613158080.db2.gz XSFBYSWVXADEJY-CYBMUJFWSA-N 1 2 289.379 1.969 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2cc([C@H](C)CC)no2)CC1 ZINC000982114216 613158083 /nfs/dbraw/zinc/15/80/83/613158083.db2.gz XSFBYSWVXADEJY-CYBMUJFWSA-N 1 2 289.379 1.969 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C ZINC000961521000 613236157 /nfs/dbraw/zinc/23/61/57/613236157.db2.gz GBBUGACBMHHCBC-XENQEKTKSA-N 1 2 299.212 1.597 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C ZINC000961521000 613236159 /nfs/dbraw/zinc/23/61/59/613236159.db2.gz GBBUGACBMHHCBC-XENQEKTKSA-N 1 2 299.212 1.597 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3[nH]ncc3F)C[C@H]2C1 ZINC000980149585 613291989 /nfs/dbraw/zinc/29/19/89/613291989.db2.gz PSZYLKFMOCCGQX-SDDRHHMPSA-N 1 2 290.342 1.012 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3[nH]ncc3F)C[C@H]2C1 ZINC000980149585 613291991 /nfs/dbraw/zinc/29/19/91/613291991.db2.gz PSZYLKFMOCCGQX-SDDRHHMPSA-N 1 2 290.342 1.012 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CC2(F)F)C1 ZINC000950031239 613295164 /nfs/dbraw/zinc/29/51/64/613295164.db2.gz VNMTUTLNNSJJCO-LLVKDONJSA-N 1 2 258.312 1.750 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2OCC[C@H]2C)C1 ZINC000951773262 613295980 /nfs/dbraw/zinc/29/59/80/613295980.db2.gz GSVYPCPXOCNMMT-OCCSQVGLSA-N 1 2 266.385 1.520 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cncc(COC)c2)CC1 ZINC000948828716 613321730 /nfs/dbraw/zinc/32/17/30/613321730.db2.gz NSHILLLNYHNEOT-UHFFFAOYSA-N 1 2 289.379 1.562 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cn(CC)nn2)C1 ZINC000970658590 613371768 /nfs/dbraw/zinc/37/17/68/613371768.db2.gz CULXMEXWNVRWGF-SNVBAGLBSA-N 1 2 297.790 1.101 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC23CC3)C1 ZINC000970487312 613372161 /nfs/dbraw/zinc/37/21/61/613372161.db2.gz AZOHOGUWVXLJPT-JQWIXIFHSA-N 1 2 268.788 1.976 20 30 CDEDLO C=C(Cl)CN1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000951607867 613374930 /nfs/dbraw/zinc/37/49/30/613374930.db2.gz YPOXVUOWFMMAAE-LLVKDONJSA-N 1 2 296.802 1.485 20 30 CDEDLO C=C(Cl)CN1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000951607867 613374931 /nfs/dbraw/zinc/37/49/31/613374931.db2.gz YPOXVUOWFMMAAE-LLVKDONJSA-N 1 2 296.802 1.485 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccnc3)C2)C1 ZINC000972229248 613571079 /nfs/dbraw/zinc/57/10/79/613571079.db2.gz RMNVGZKBCLUWQC-QGZVFWFLSA-N 1 2 299.374 1.022 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccnc3)C2)C1 ZINC000972229248 613571084 /nfs/dbraw/zinc/57/10/84/613571084.db2.gz RMNVGZKBCLUWQC-QGZVFWFLSA-N 1 2 299.374 1.022 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC000950089978 613654395 /nfs/dbraw/zinc/65/43/95/613654395.db2.gz RSZJGNVGGFLMMP-CYBMUJFWSA-N 1 2 288.395 1.548 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@@H]2C(C)C)C1 ZINC000957059123 613655945 /nfs/dbraw/zinc/65/59/45/613655945.db2.gz NFYGBGNOQSKRQY-KGLIPLIRSA-N 1 2 250.386 1.997 20 30 CDEDLO C=CC[N@@H+]1CCCN(C(=O)c2nccs2)CC1 ZINC000982457050 613699697 /nfs/dbraw/zinc/69/96/97/613699697.db2.gz KLNBTLRCPYNGHP-UHFFFAOYSA-N 1 2 251.355 1.477 20 30 CDEDLO C=CC[N@H+]1CCCN(C(=O)c2nccs2)CC1 ZINC000982457050 613699700 /nfs/dbraw/zinc/69/97/00/613699700.db2.gz KLNBTLRCPYNGHP-UHFFFAOYSA-N 1 2 251.355 1.477 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](CC)O2)CC1 ZINC000948603256 613713209 /nfs/dbraw/zinc/71/32/09/613713209.db2.gz BBMSBYLOCIYWGS-CHWSQXEVSA-N 1 2 252.358 1.274 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3ccncc3n2)CC1 ZINC000949310956 613716373 /nfs/dbraw/zinc/71/63/73/613716373.db2.gz ABOFWNCBITZVJC-UHFFFAOYSA-N 1 2 282.347 1.574 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ccoc3)C2)C1 ZINC000972354770 613725445 /nfs/dbraw/zinc/72/54/45/613725445.db2.gz FRPAQZMVASQDFM-MRXNPFEDSA-N 1 2 290.363 1.311 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ccoc3)C2)C1 ZINC000972354770 613725446 /nfs/dbraw/zinc/72/54/46/613725446.db2.gz FRPAQZMVASQDFM-MRXNPFEDSA-N 1 2 290.363 1.311 20 30 CDEDLO CC(=O)N[C@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969169510 614100225 /nfs/dbraw/zinc/10/02/25/614100225.db2.gz AHUJULDQUMZSAB-SNVBAGLBSA-N 1 2 275.327 1.654 20 30 CDEDLO C=CCSCCNc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000892098430 617479759 /nfs/dbraw/zinc/47/97/59/617479759.db2.gz BZDQVQWFPJAZBH-NSHDSACASA-N 1 2 282.413 1.991 20 30 CDEDLO C=CCSCCNc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000892098430 617479762 /nfs/dbraw/zinc/47/97/62/617479762.db2.gz BZDQVQWFPJAZBH-NSHDSACASA-N 1 2 282.413 1.991 20 30 CDEDLO Cn1nccc1[C@H]1C[N@H+](CCC(C)(C)C#N)CCO1 ZINC000933545432 617494520 /nfs/dbraw/zinc/49/45/20/617494520.db2.gz WUHOJYKTTSFXBW-CYBMUJFWSA-N 1 2 262.357 1.733 20 30 CDEDLO Cn1nccc1[C@H]1C[N@@H+](CCC(C)(C)C#N)CCO1 ZINC000933545432 617494524 /nfs/dbraw/zinc/49/45/24/617494524.db2.gz WUHOJYKTTSFXBW-CYBMUJFWSA-N 1 2 262.357 1.733 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1CNc1cc(N(C)C)nc[nH+]1 ZINC000893660087 617809287 /nfs/dbraw/zinc/80/92/87/617809287.db2.gz TUWYBTMDTMFTOP-SMDDNHRTSA-N 1 2 262.357 1.936 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1CNc1cc(N(C)C)[nH+]cn1 ZINC000893660087 617809289 /nfs/dbraw/zinc/80/92/89/617809289.db2.gz TUWYBTMDTMFTOP-SMDDNHRTSA-N 1 2 262.357 1.936 20 30 CDEDLO C[C@H](C#N)C[NH2+]C1CN(C(=O)OCc2ccccc2)C1 ZINC000893543989 618082658 /nfs/dbraw/zinc/08/26/58/618082658.db2.gz YVNPJVNDGRALNU-GFCCVEGCSA-N 1 2 273.336 1.757 20 30 CDEDLO C#CC1CCN(c2cc(N[C@@H](CC)CO)[nH+]cn2)CC1 ZINC000894355591 618816023 /nfs/dbraw/zinc/81/60/23/618816023.db2.gz CVFLFPKIIJGCSQ-ZDUSSCGKSA-N 1 2 274.368 1.509 20 30 CDEDLO C#CC1CCN(c2cc(N[C@@H](CC)CO)nc[nH+]2)CC1 ZINC000894355591 618816025 /nfs/dbraw/zinc/81/60/25/618816025.db2.gz CVFLFPKIIJGCSQ-ZDUSSCGKSA-N 1 2 274.368 1.509 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2cnc(C3CC3)o2)CCCN1O ZINC000895157418 619371038 /nfs/dbraw/zinc/37/10/38/619371038.db2.gz PWJLXFLBFWRNLW-SNVBAGLBSA-N 1 2 251.286 1.022 20 30 CDEDLO CCn1c[nH+]c2c1CCN(Cc1cccc(C#N)n1)C2 ZINC000897333700 620509406 /nfs/dbraw/zinc/50/94/06/620509406.db2.gz KZDBHTXQFFFWRJ-UHFFFAOYSA-N 1 2 267.336 1.728 20 30 CDEDLO C#CC(C)(C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000900702470 623386756 /nfs/dbraw/zinc/38/67/56/623386756.db2.gz CEEFHSUWAKJBGI-LBPRGKRZSA-N 1 2 260.341 1.318 20 30 CDEDLO C#CC(C)(C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000900702470 623386761 /nfs/dbraw/zinc/38/67/61/623386761.db2.gz CEEFHSUWAKJBGI-LBPRGKRZSA-N 1 2 260.341 1.318 20 30 CDEDLO C#CC[N@H+](CN1C(=O)C2(CCOCC2)[C@@H]1C1CC1)C(C)C ZINC000905749164 626944610 /nfs/dbraw/zinc/94/46/10/626944610.db2.gz NLERXGAKFDJBOD-HNNXBMFYSA-N 1 2 290.407 1.705 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)C2(CCOCC2)[C@@H]1C1CC1)C(C)C ZINC000905749164 626944612 /nfs/dbraw/zinc/94/46/12/626944612.db2.gz NLERXGAKFDJBOD-HNNXBMFYSA-N 1 2 290.407 1.705 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000788038131 631696991 /nfs/dbraw/zinc/69/69/91/631696991.db2.gz SHROFOCFXKIRKW-NSHDSACASA-N 1 2 275.352 1.870 20 30 CDEDLO N#C[C@@H](Nc1ccc2c(c1)[nH+]cn2-c1ccccc1)C(N)=O ZINC001170537761 1162787758 /nfs/dbraw/zinc/78/77/58/1162787758.db2.gz XAJDEMHUYDXTGU-CQSZACIVSA-N 1 2 291.314 1.815 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)ncn2C)[C@H]1C ZINC001088639819 1160671277 /nfs/dbraw/zinc/67/12/77/1160671277.db2.gz QYTHUWWWAQVJKT-NEPJUHHUSA-N 1 2 296.802 1.674 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H](OC)C(F)(F)F)CC1 ZINC001113505951 1162199663 /nfs/dbraw/zinc/19/96/63/1162199663.db2.gz QPNQWZIOLAEUTP-LLVKDONJSA-N 1 2 292.301 1.121 20 30 CDEDLO C[NH+]1CCN(c2cc[nH+]c(NC(=O)C#CC3CC3)c2)CC1 ZINC000870665333 1165199566 /nfs/dbraw/zinc/19/95/66/1165199566.db2.gz QQDBLFBQUFEVHO-UHFFFAOYSA-N 1 2 284.363 1.185 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cccc(OCC#N)c1 ZINC001645915388 1167566378 /nfs/dbraw/zinc/56/63/78/1167566378.db2.gz LCYICVIKFCBVIY-GFCCVEGCSA-N 1 2 298.346 1.807 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cccc(OCC#N)c1 ZINC001645915388 1167566383 /nfs/dbraw/zinc/56/63/83/1167566383.db2.gz LCYICVIKFCBVIY-GFCCVEGCSA-N 1 2 298.346 1.807 20 30 CDEDLO CCn1c[nH+]cc1COC(=O)c1ncc(C#N)cc1C ZINC001646925365 1168259950 /nfs/dbraw/zinc/25/99/50/1168259950.db2.gz YIDFLKIARAWARJ-UHFFFAOYSA-N 1 2 270.292 1.835 20 30 CDEDLO C=CCCONC(=O)[C@@]1(c2ccccc2)C[C@H]([NH3+])C1 ZINC001574913232 1171048257 /nfs/dbraw/zinc/04/82/57/1171048257.db2.gz KXAFXQBEGYWBID-CTYIDZIISA-N 1 2 260.337 1.669 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)CC[N@H+](C)Cc1ccns1 ZINC001732575674 1183011186 /nfs/dbraw/zinc/01/11/86/1183011186.db2.gz HZZFVBCVAPCHQH-JTQLQIEISA-N 1 2 266.370 1.193 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)CC[N@@H+](C)Cc1ccns1 ZINC001732575674 1183011193 /nfs/dbraw/zinc/01/11/93/1183011193.db2.gz HZZFVBCVAPCHQH-JTQLQIEISA-N 1 2 266.370 1.193 20 30 CDEDLO N#CCNC1CCC(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001752855208 1184933728 /nfs/dbraw/zinc/93/37/28/1184933728.db2.gz NQJUBXMIKWRYKN-UHFFFAOYSA-N 1 2 289.383 1.204 20 30 CDEDLO Cc1cnc([C@@H](C)[NH2+]C/C=C\CNC(=O)C#CC2CC2)o1 ZINC001754119878 1185473532 /nfs/dbraw/zinc/47/35/32/1185473532.db2.gz REJQRQHIBVJXCU-DHCBQETCSA-N 1 2 287.363 1.719 20 30 CDEDLO C#CCO[C@H](C)C(=O)N[C@H](C)C[N@@H+](C)CC(=C)Cl ZINC001754311153 1185569608 /nfs/dbraw/zinc/56/96/08/1185569608.db2.gz NKXGYLOQGDUGMA-VXGBXAGGSA-N 1 2 272.776 1.214 20 30 CDEDLO C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC001754308488 1185567414 /nfs/dbraw/zinc/56/74/14/1185567414.db2.gz AOCMYLPQOXDZNY-BDAKNGLRSA-N 1 2 268.254 1.347 20 30 CDEDLO C#CCC[N@@H+](C)C[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC001754308488 1185567391 /nfs/dbraw/zinc/56/73/91/1185567391.db2.gz AOCMYLPQOXDZNY-BDAKNGLRSA-N 1 2 268.254 1.347 20 30 CDEDLO C#CCC[N@H+](C)C[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC001754308488 1185567400 /nfs/dbraw/zinc/56/74/00/1185567400.db2.gz AOCMYLPQOXDZNY-BDAKNGLRSA-N 1 2 268.254 1.347 20 30 CDEDLO C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC001754308488 1185567407 /nfs/dbraw/zinc/56/74/07/1185567407.db2.gz AOCMYLPQOXDZNY-BDAKNGLRSA-N 1 2 268.254 1.347 20 30 CDEDLO C#CCO[C@H](C)C(=O)N[C@H](C)C[N@H+](C)CC(=C)Cl ZINC001754311153 1185569602 /nfs/dbraw/zinc/56/96/02/1185569602.db2.gz NKXGYLOQGDUGMA-VXGBXAGGSA-N 1 2 272.776 1.214 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)COCc1ccc(C)cc1 ZINC001754485290 1185639311 /nfs/dbraw/zinc/63/93/11/1185639311.db2.gz RWAURLPBHYKGRU-MRXNPFEDSA-N 1 2 286.375 1.335 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)COCc1ccc(C)cc1 ZINC001754485290 1185639316 /nfs/dbraw/zinc/63/93/16/1185639316.db2.gz RWAURLPBHYKGRU-MRXNPFEDSA-N 1 2 286.375 1.335 20 30 CDEDLO C=CC(C)(C)C(=O)NCC1([NH2+][C@@H](C)c2ncccn2)CC1 ZINC001754528159 1185659879 /nfs/dbraw/zinc/65/98/79/1185659879.db2.gz NZFDYIZTFFLTPL-LBPRGKRZSA-N 1 2 288.395 1.988 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)C#CC(C)C)O2 ZINC001755054650 1185802039 /nfs/dbraw/zinc/80/20/39/1185802039.db2.gz SBAMPWYHWHMHJH-OAHLLOKOSA-N 1 2 290.407 1.572 20 30 CDEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@]2(C)CCC[C@@H]2C)C1 ZINC001755336244 1185923228 /nfs/dbraw/zinc/92/32/28/1185923228.db2.gz MAUOKLADABEBSH-GOEBONIOSA-N 1 2 294.439 1.942 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)SC)C2)C1 ZINC001755400137 1185940786 /nfs/dbraw/zinc/94/07/86/1185940786.db2.gz CQHQUOLNSAHNEC-UKRRQHHQSA-N 1 2 298.452 1.617 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)SC)C2)C1 ZINC001755400137 1185940789 /nfs/dbraw/zinc/94/07/89/1185940789.db2.gz CQHQUOLNSAHNEC-UKRRQHHQSA-N 1 2 298.452 1.617 20 30 CDEDLO C#CCCCC(=O)N(C)C[C@H](C)[NH2+][C@H](C)c1nc(C)no1 ZINC001755585214 1186002812 /nfs/dbraw/zinc/00/28/12/1186002812.db2.gz MEOYANVUPVBROC-NWDGAFQWSA-N 1 2 292.383 1.679 20 30 CDEDLO CC(C)(C#N)C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001772097120 1187063074 /nfs/dbraw/zinc/06/30/74/1187063074.db2.gz QOEXGUZEPFETKH-ZDUSSCGKSA-N 1 2 275.327 1.848 20 30 CDEDLO C=CC[NH+]1CCN(c2ncnc3c2[C@H](C)CC(=O)N3)CC1 ZINC001165031749 721867451 /nfs/dbraw/zinc/86/74/51/721867451.db2.gz UGKUXCYVMBKFMS-LLVKDONJSA-N 1 2 287.367 1.230 20 30 CDEDLO CC[N@@H+](Cc1ccncc1-c1nn[nH]n1)C[C@@H](C)C#N ZINC001609225378 1164854197 /nfs/dbraw/zinc/85/41/97/1164854197.db2.gz ICRBMFIYZVNXFH-JTQLQIEISA-N 1 2 271.328 1.243 20 30 CDEDLO CC[N@H+](Cc1ccncc1-c1nn[nH]n1)C[C@@H](C)C#N ZINC001609225378 1164854206 /nfs/dbraw/zinc/85/42/06/1164854206.db2.gz ICRBMFIYZVNXFH-JTQLQIEISA-N 1 2 271.328 1.243 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cn1ncc(Cl)c1C ZINC000853621350 836759990 /nfs/dbraw/zinc/75/99/90/836759990.db2.gz ZHRXOPVCURRUHH-UHFFFAOYSA-N 1 2 255.749 1.774 20 30 CDEDLO C#CCC[N@H+](CCOC)Cn1ncc(Cl)c1C ZINC000853621350 836760023 /nfs/dbraw/zinc/76/00/23/836760023.db2.gz ZHRXOPVCURRUHH-UHFFFAOYSA-N 1 2 255.749 1.774 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@H](OC)C2)C1 ZINC001043688407 837400599 /nfs/dbraw/zinc/40/05/99/837400599.db2.gz ROOUPDATNKZTLR-JSGCOSHPSA-N 1 2 266.385 1.520 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(CC)nnc1C ZINC001038551890 837451429 /nfs/dbraw/zinc/45/14/29/837451429.db2.gz FNWBZSQZQNMQHU-CQSZACIVSA-N 1 2 286.379 1.175 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(CC)nnc1C ZINC001038551890 837451464 /nfs/dbraw/zinc/45/14/64/837451464.db2.gz FNWBZSQZQNMQHU-CQSZACIVSA-N 1 2 286.379 1.175 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C(C)C)CC1 ZINC001032616169 837699750 /nfs/dbraw/zinc/69/97/50/837699750.db2.gz AUQNZOVZSJGWFD-KBPBESRZSA-N 1 2 260.381 1.731 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C(C)C)CC1 ZINC001032616169 837699770 /nfs/dbraw/zinc/69/97/70/837699770.db2.gz AUQNZOVZSJGWFD-KBPBESRZSA-N 1 2 260.381 1.731 20 30 CDEDLO NC(Cc1cccnc1)=[NH+]OCc1nccn1C(F)F ZINC000092916364 837728495 /nfs/dbraw/zinc/72/84/95/837728495.db2.gz OQXMIRDDDFZEMJ-UHFFFAOYSA-N 1 2 281.266 1.705 20 30 CDEDLO C[C@@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)C(=O)N(C)CCC#N ZINC000845279297 837733592 /nfs/dbraw/zinc/73/35/92/837733592.db2.gz YRVRCSQOUYGVKK-VXGBXAGGSA-N 1 2 292.339 1.138 20 30 CDEDLO COC(=O)C1(C#N)CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000824867848 837733676 /nfs/dbraw/zinc/73/36/76/837733676.db2.gz YCMGFCQSXHURAH-UHFFFAOYSA-N 1 2 283.331 1.837 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(CC)n1 ZINC001038349101 837783863 /nfs/dbraw/zinc/78/38/63/837783863.db2.gz KSMXJSLXJIKKKR-CQSZACIVSA-N 1 2 271.364 1.471 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(CC)n1 ZINC001038349101 837783887 /nfs/dbraw/zinc/78/38/87/837783887.db2.gz KSMXJSLXJIKKKR-CQSZACIVSA-N 1 2 271.364 1.471 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cc2ccc[nH]2)CC1 ZINC000989704403 837787262 /nfs/dbraw/zinc/78/72/62/837787262.db2.gz ZHNCAJHHYJNRBR-UHFFFAOYSA-N 1 2 281.787 1.844 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cc2ccc[nH]2)CC1 ZINC000989704403 837787305 /nfs/dbraw/zinc/78/73/05/837787305.db2.gz ZHNCAJHHYJNRBR-UHFFFAOYSA-N 1 2 281.787 1.844 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(CC(C)C)[nH]1 ZINC001038248539 837818825 /nfs/dbraw/zinc/81/88/25/837818825.db2.gz BVAPCPNMKJNSLG-GFCCVEGCSA-N 1 2 274.368 1.046 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(CC(C)C)[nH]1 ZINC001038248539 837818826 /nfs/dbraw/zinc/81/88/26/837818826.db2.gz BVAPCPNMKJNSLG-GFCCVEGCSA-N 1 2 274.368 1.046 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(F)cncc1F ZINC001017588800 835754694 /nfs/dbraw/zinc/75/46/94/835754694.db2.gz NMOHXIPASWOWJR-PHIMTYICSA-N 1 2 293.317 1.835 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(F)cncc1F ZINC001017588800 835754700 /nfs/dbraw/zinc/75/47/00/835754700.db2.gz NMOHXIPASWOWJR-PHIMTYICSA-N 1 2 293.317 1.835 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)cc1F ZINC001038479134 835764520 /nfs/dbraw/zinc/76/45/20/835764520.db2.gz HEDSXEPPRRNFGZ-NSHDSACASA-N 1 2 280.730 1.916 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)cc1F ZINC001038479134 835764528 /nfs/dbraw/zinc/76/45/28/835764528.db2.gz HEDSXEPPRRNFGZ-NSHDSACASA-N 1 2 280.730 1.916 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1csc(Cl)n1 ZINC001038890071 835774499 /nfs/dbraw/zinc/77/44/99/835774499.db2.gz FDRQLVBUBFUORS-MRVPVSSYSA-N 1 2 269.757 1.234 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1csc(Cl)n1 ZINC001038890071 835774513 /nfs/dbraw/zinc/77/45/13/835774513.db2.gz FDRQLVBUBFUORS-MRVPVSSYSA-N 1 2 269.757 1.234 20 30 CDEDLO C#CCN1CC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001038245321 835812134 /nfs/dbraw/zinc/81/21/34/835812134.db2.gz IIURZTZQQAWFTM-CQSZACIVSA-N 1 2 282.347 1.080 20 30 CDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000886480356 835830651 /nfs/dbraw/zinc/83/06/51/835830651.db2.gz RZHLMUUZPJZNDQ-KFWWJZLASA-N 1 2 288.347 1.618 20 30 CDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000886480356 835830654 /nfs/dbraw/zinc/83/06/54/835830654.db2.gz RZHLMUUZPJZNDQ-KFWWJZLASA-N 1 2 288.347 1.618 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccnn2)CC[C@@H]1C ZINC001071923556 835835402 /nfs/dbraw/zinc/83/54/02/835835402.db2.gz KFWDJRALLDSAJZ-NWDGAFQWSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccnn2)CC[C@@H]1C ZINC001071923556 835835403 /nfs/dbraw/zinc/83/54/03/835835403.db2.gz KFWDJRALLDSAJZ-NWDGAFQWSA-N 1 2 294.786 1.812 20 30 CDEDLO C#CCCCNc1cc(N2CCSCC2)nc[nH+]1 ZINC000192322485 835837853 /nfs/dbraw/zinc/83/78/53/835837853.db2.gz LMCXXVJDNLKTED-UHFFFAOYSA-N 1 2 262.382 1.855 20 30 CDEDLO C#CCCCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000192322485 835837860 /nfs/dbraw/zinc/83/78/60/835837860.db2.gz LMCXXVJDNLKTED-UHFFFAOYSA-N 1 2 262.382 1.855 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2scnc2C(C)(C)C)C1 ZINC001015813866 835840825 /nfs/dbraw/zinc/84/08/25/835840825.db2.gz BWPKWDKEYQWCCQ-NSHDSACASA-N 1 2 291.420 1.878 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2scnc2C(C)(C)C)C1 ZINC001015813866 835840827 /nfs/dbraw/zinc/84/08/27/835840827.db2.gz BWPKWDKEYQWCCQ-NSHDSACASA-N 1 2 291.420 1.878 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](CN2C(=O)CC3(CCCC3)C2=O)C1 ZINC000853525443 835878665 /nfs/dbraw/zinc/87/86/65/835878665.db2.gz FBYVMKFTIFUGCJ-CYBMUJFWSA-N 1 2 289.379 1.889 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](CN2C(=O)CC3(CCCC3)C2=O)C1 ZINC000853525443 835878666 /nfs/dbraw/zinc/87/86/66/835878666.db2.gz FBYVMKFTIFUGCJ-CYBMUJFWSA-N 1 2 289.379 1.889 20 30 CDEDLO COC[C@H]1COCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000933335443 835903288 /nfs/dbraw/zinc/90/32/88/835903288.db2.gz YXUCPTYCZNDKHU-AWEZNQCLSA-N 1 2 276.336 1.284 20 30 CDEDLO COC[C@H]1COCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000933335443 835903295 /nfs/dbraw/zinc/90/32/95/835903295.db2.gz YXUCPTYCZNDKHU-AWEZNQCLSA-N 1 2 276.336 1.284 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccsc1Cl ZINC001038772509 835916118 /nfs/dbraw/zinc/91/61/18/835916118.db2.gz LAACQHNAOJQBGQ-VIFPVBQESA-N 1 2 268.769 1.839 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccsc1Cl ZINC001038772509 835916130 /nfs/dbraw/zinc/91/61/30/835916130.db2.gz LAACQHNAOJQBGQ-VIFPVBQESA-N 1 2 268.769 1.839 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1O ZINC001038073601 835950578 /nfs/dbraw/zinc/95/05/78/835950578.db2.gz AZDMXVKEMBNXCS-LBPRGKRZSA-N 1 2 258.321 1.220 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1O ZINC001038073601 835950591 /nfs/dbraw/zinc/95/05/91/835950591.db2.gz AZDMXVKEMBNXCS-LBPRGKRZSA-N 1 2 258.321 1.220 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)c(F)c1 ZINC001038487368 836035457 /nfs/dbraw/zinc/03/54/57/836035457.db2.gz YMHATMBCNOFDHL-ZDUSSCGKSA-N 1 2 260.312 1.571 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)c(F)c1 ZINC001038487368 836035476 /nfs/dbraw/zinc/03/54/76/836035476.db2.gz YMHATMBCNOFDHL-ZDUSSCGKSA-N 1 2 260.312 1.571 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2C[C@H]2OCC)CC1 ZINC001000458960 836163403 /nfs/dbraw/zinc/16/34/03/836163403.db2.gz OOINMBJPLQEMEF-UONOGXRCSA-N 1 2 298.814 1.912 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@H]2OCC)CC1 ZINC001000458960 836163408 /nfs/dbraw/zinc/16/34/08/836163408.db2.gz OOINMBJPLQEMEF-UONOGXRCSA-N 1 2 298.814 1.912 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(F)c(C)c2)C1 ZINC001035495548 836223680 /nfs/dbraw/zinc/22/36/80/836223680.db2.gz JCKPYPBKGCPDSH-AWEZNQCLSA-N 1 2 292.354 1.751 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(F)c(C)c2)C1 ZINC001035495548 836223691 /nfs/dbraw/zinc/22/36/91/836223691.db2.gz JCKPYPBKGCPDSH-AWEZNQCLSA-N 1 2 292.354 1.751 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCOC1 ZINC001024350292 836236119 /nfs/dbraw/zinc/23/61/19/836236119.db2.gz NAZZYDZQPSUBHA-STQMWFEESA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCOC1 ZINC001024350292 836236126 /nfs/dbraw/zinc/23/61/26/836236126.db2.gz NAZZYDZQPSUBHA-STQMWFEESA-N 1 2 286.803 1.746 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COC1CCCCC1 ZINC001017693847 836263408 /nfs/dbraw/zinc/26/34/08/836263408.db2.gz OGEJZLLYMNBPBV-GASCZTMLSA-N 1 2 290.407 1.644 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COC1CCCCC1 ZINC001017693847 836263417 /nfs/dbraw/zinc/26/34/17/836263417.db2.gz OGEJZLLYMNBPBV-GASCZTMLSA-N 1 2 290.407 1.644 20 30 CDEDLO C[C@@H](C#N)OCCN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000801923036 836293403 /nfs/dbraw/zinc/29/34/03/836293403.db2.gz XAOXEMQKYSIRLU-GJZGRUSLSA-N 1 2 288.395 1.689 20 30 CDEDLO N#C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CCCC1 ZINC000921547107 836352413 /nfs/dbraw/zinc/35/24/13/836352413.db2.gz YJDGHBNTYJUXKT-QWHCGFSZSA-N 1 2 272.352 1.644 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2cnoc2C2CC2)C1 ZINC001031191322 836355497 /nfs/dbraw/zinc/35/54/97/836355497.db2.gz HRBCRMJDIFIBKK-UHFFFAOYSA-N 1 2 261.325 1.542 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc[nH]c2CC)C1 ZINC001031650850 836363986 /nfs/dbraw/zinc/36/39/86/836363986.db2.gz 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CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCOCC1 ZINC001017292464 836991818 /nfs/dbraw/zinc/99/18/18/836991818.db2.gz NLFUINLARSBZBU-GASCZTMLSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1oc(CC)cc1C ZINC001038923445 837002015 /nfs/dbraw/zinc/00/20/15/837002015.db2.gz SXMADPCHMGGGMB-GFCCVEGCSA-N 1 2 260.337 1.588 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1oc(CC)cc1C ZINC001038923445 837002030 /nfs/dbraw/zinc/00/20/30/837002030.db2.gz SXMADPCHMGGGMB-GFCCVEGCSA-N 1 2 260.337 1.588 20 30 CDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886690547 837007677 /nfs/dbraw/zinc/00/76/77/837007677.db2.gz XSDVDHZPOQMKCC-QWHCGFSZSA-N 1 2 275.352 1.774 20 30 CDEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886690547 837007689 /nfs/dbraw/zinc/00/76/89/837007689.db2.gz XSDVDHZPOQMKCC-QWHCGFSZSA-N 1 2 275.352 1.774 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CC[C@H](OCC)C2)nn1 ZINC000932971830 837014731 /nfs/dbraw/zinc/01/47/31/837014731.db2.gz QCQZLWAYJIPOLE-ZDUSSCGKSA-N 1 2 250.346 1.465 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](OCC)C2)nn1 ZINC000932971830 837014743 /nfs/dbraw/zinc/01/47/43/837014743.db2.gz QCQZLWAYJIPOLE-ZDUSSCGKSA-N 1 2 250.346 1.465 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@H]3CCCCO3)C2)nc1 ZINC001031279220 837056881 /nfs/dbraw/zinc/05/68/81/837056881.db2.gz RLIYNUPEHTWFNV-OAHLLOKOSA-N 1 2 299.374 1.046 20 30 CDEDLO NC(Cc1ccccc1)=[NH+]OCc1noc(C2CC2)n1 ZINC000067098396 837089828 /nfs/dbraw/zinc/08/98/28/837089828.db2.gz UZBCAXFMCKAAAZ-UHFFFAOYSA-N 1 2 272.308 1.979 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]1OC ZINC001017678576 837145928 /nfs/dbraw/zinc/14/59/28/837145928.db2.gz XKFBDJANUJTBAS-LXTVHRRPSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]1OC ZINC001017678576 837145941 /nfs/dbraw/zinc/14/59/41/837145941.db2.gz XKFBDJANUJTBAS-LXTVHRRPSA-N 1 2 276.380 1.110 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C1CC=CC1 ZINC001050851620 837169713 /nfs/dbraw/zinc/16/97/13/837169713.db2.gz GZOMBXDCBIKIOI-CQSZACIVSA-N 1 2 264.369 1.346 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C1CC=CC1 ZINC001050851620 837169727 /nfs/dbraw/zinc/16/97/27/837169727.db2.gz GZOMBXDCBIKIOI-CQSZACIVSA-N 1 2 264.369 1.346 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(Cl)cn2)C1 ZINC001035582823 837198629 /nfs/dbraw/zinc/19/86/29/837198629.db2.gz KBNKNMRCMJPOBJ-GFCCVEGCSA-N 1 2 295.770 1.352 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(Cl)cn2)C1 ZINC001035582823 837198638 /nfs/dbraw/zinc/19/86/38/837198638.db2.gz KBNKNMRCMJPOBJ-GFCCVEGCSA-N 1 2 295.770 1.352 20 30 CDEDLO C=CC[N@@H+](CCC#N)CCCNC(=O)C(F)(F)F ZINC000794746480 837256264 /nfs/dbraw/zinc/25/62/64/837256264.db2.gz XYYZLSDVVIROSH-UHFFFAOYSA-N 1 2 263.263 1.457 20 30 CDEDLO C=CC[N@H+](CCC#N)CCCNC(=O)C(F)(F)F ZINC000794746480 837256279 /nfs/dbraw/zinc/25/62/79/837256279.db2.gz XYYZLSDVVIROSH-UHFFFAOYSA-N 1 2 263.263 1.457 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCc3nn(C)cc32)C1 ZINC001043652259 837271230 /nfs/dbraw/zinc/27/12/30/837271230.db2.gz AOAVPTLVUUTZDX-CYBMUJFWSA-N 1 2 288.395 1.169 20 30 CDEDLO C#CCO[C@@H](C)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000826586262 837331812 /nfs/dbraw/zinc/33/18/12/837331812.db2.gz UWYOSIPTQWKAAX-ZDUSSCGKSA-N 1 2 285.347 1.340 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2cccnc21 ZINC001038621812 837351344 /nfs/dbraw/zinc/35/13/44/837351344.db2.gz GZXKLLMUFMUCFZ-HOTGVXAUSA-N 1 2 297.402 1.715 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2cccnc21 ZINC001038621812 837351357 /nfs/dbraw/zinc/35/13/57/837351357.db2.gz GZXKLLMUFMUCFZ-HOTGVXAUSA-N 1 2 297.402 1.715 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc[nH]c1)CO2 ZINC001053817398 837355118 /nfs/dbraw/zinc/35/51/18/837355118.db2.gz LLDCUYWXXZJWEZ-CYBMUJFWSA-N 1 2 275.352 1.164 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](O)c2ccccc21 ZINC000889259467 837358048 /nfs/dbraw/zinc/35/80/48/837358048.db2.gz GOIBWSAYKBGYRG-HOTGVXAUSA-N 1 2 284.359 1.554 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](O)c2ccccc21 ZINC000889259467 837358059 /nfs/dbraw/zinc/35/80/59/837358059.db2.gz GOIBWSAYKBGYRG-HOTGVXAUSA-N 1 2 284.359 1.554 20 30 CDEDLO C#CCCCC[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000815596057 837369698 /nfs/dbraw/zinc/36/96/98/837369698.db2.gz JLTVHTZBDXVGJP-ZDUSSCGKSA-N 1 2 255.325 1.682 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2cc[nH]c2CCC)C1 ZINC001043595136 837379549 /nfs/dbraw/zinc/37/95/49/837379549.db2.gz YQTIDCJAUVHNMM-UHFFFAOYSA-N 1 2 261.369 1.909 20 30 CDEDLO N#Cc1ccc(C(=O)OCc2cc[nH+]c(N)c2)cc1 ZINC000787578071 837864879 /nfs/dbraw/zinc/86/48/79/837864879.db2.gz GGUKMYYBSMUCTK-UHFFFAOYSA-N 1 2 253.261 1.892 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Oc1ccccc1 ZINC001018237411 837886842 /nfs/dbraw/zinc/88/68/42/837886842.db2.gz OISYIEHGEUZPKJ-HRCADAONSA-N 1 2 298.386 1.762 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Oc1ccccc1 ZINC001018237411 837886849 /nfs/dbraw/zinc/88/68/49/837886849.db2.gz OISYIEHGEUZPKJ-HRCADAONSA-N 1 2 298.386 1.762 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(C(C)(C)C)nc1C ZINC001038257827 837899142 /nfs/dbraw/zinc/89/91/42/837899142.db2.gz BHEMURDLEOYZJL-ZDUSSCGKSA-N 1 2 288.395 1.384 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C(C)(C)C)nc1C ZINC001038257827 837899154 /nfs/dbraw/zinc/89/91/54/837899154.db2.gz BHEMURDLEOYZJL-ZDUSSCGKSA-N 1 2 288.395 1.384 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ncn(C)n2)[C@@H]1C ZINC000993298791 837900606 /nfs/dbraw/zinc/90/06/06/837900606.db2.gz MGMOGICJUUTXDB-WDEREUQCSA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ncn(C)n2)[C@@H]1C ZINC000993298791 837900615 /nfs/dbraw/zinc/90/06/15/837900615.db2.gz MGMOGICJUUTXDB-WDEREUQCSA-N 1 2 297.790 1.150 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(C)nn2C)C1 ZINC001046178137 837995297 /nfs/dbraw/zinc/99/52/97/837995297.db2.gz PZBJOCIZAMJWGE-AWEZNQCLSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(C)nn2C)C1 ZINC001046178137 837995310 /nfs/dbraw/zinc/99/53/10/837995310.db2.gz PZBJOCIZAMJWGE-AWEZNQCLSA-N 1 2 296.802 1.675 20 30 CDEDLO C#CC[C@H](CCOC)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000863780111 838002305 /nfs/dbraw/zinc/00/23/05/838002305.db2.gz XPOHVXZOFFXHAS-VXGBXAGGSA-N 1 2 263.341 1.133 20 30 CDEDLO C#CC[C@H](CCOC)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000863780111 838002311 /nfs/dbraw/zinc/00/23/11/838002311.db2.gz XPOHVXZOFFXHAS-VXGBXAGGSA-N 1 2 263.341 1.133 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000884048412 838002706 /nfs/dbraw/zinc/00/27/06/838002706.db2.gz KEVVFEZILCLMAS-GRYCIOLGSA-N 1 2 268.357 1.128 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)NC(=O)C2 ZINC001038281073 838009494 /nfs/dbraw/zinc/00/94/94/838009494.db2.gz AHIAJXHUOJCXEN-AWEZNQCLSA-N 1 2 297.358 1.009 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)NC(=O)C2 ZINC001038281073 838009508 /nfs/dbraw/zinc/00/95/08/838009508.db2.gz AHIAJXHUOJCXEN-AWEZNQCLSA-N 1 2 297.358 1.009 20 30 CDEDLO C=C[C@](C)(CC)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800212185 838019946 /nfs/dbraw/zinc/01/99/46/838019946.db2.gz VWPAVGKOYWQFTC-TZMCWYRMSA-N 1 2 255.358 1.853 20 30 CDEDLO C=C[C@](C)(CC)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800212185 838019957 /nfs/dbraw/zinc/01/99/57/838019957.db2.gz VWPAVGKOYWQFTC-TZMCWYRMSA-N 1 2 255.358 1.853 20 30 CDEDLO C[C@@H](C#N)CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000182614057 838029863 /nfs/dbraw/zinc/02/98/63/838029863.db2.gz AWWFEFBCKKCJIM-LBPRGKRZSA-N 1 2 283.335 1.831 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn3c2C[C@H](C)CC3)C1 ZINC001031323000 838067528 /nfs/dbraw/zinc/06/75/28/838067528.db2.gz SBFLXYMOBNNSOO-GFCCVEGCSA-N 1 2 288.395 1.456 20 30 CDEDLO CC1CCC(N(C(=O)CO[NH+]=C(N)CCO)C2CC2)CC1 ZINC000121327403 838079229 /nfs/dbraw/zinc/07/92/29/838079229.db2.gz NREWSTVMPMPJEH-UHFFFAOYSA-N 1 2 297.399 1.227 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2cnccc2n1 ZINC001038749440 838164638 /nfs/dbraw/zinc/16/46/38/838164638.db2.gz JAMYSUCCLGMULI-ZDUSSCGKSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2cnccc2n1 ZINC001038749440 838164655 /nfs/dbraw/zinc/16/46/55/838164655.db2.gz JAMYSUCCLGMULI-ZDUSSCGKSA-N 1 2 280.331 1.067 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2c(C)noc2Cl)C1 ZINC001044049059 838228769 /nfs/dbraw/zinc/22/87/69/838228769.db2.gz NMARWDWWTPSCED-UHFFFAOYSA-N 1 2 297.786 1.898 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)nnn1CC ZINC001017612732 838726651 /nfs/dbraw/zinc/72/66/51/838726651.db2.gz PSGFMVQSCYXKLY-BETUJISGSA-N 1 2 289.383 1.081 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)nnn1CC ZINC001017612732 838726686 /nfs/dbraw/zinc/72/66/86/838726686.db2.gz PSGFMVQSCYXKLY-BETUJISGSA-N 1 2 289.383 1.081 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cccc(OC)c2)C1 ZINC001035589676 838806100 /nfs/dbraw/zinc/80/61/00/838806100.db2.gz JNTHPPKTQCMROY-OAHLLOKOSA-N 1 2 290.363 1.312 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cccc(OC)c2)C1 ZINC001035589676 838806101 /nfs/dbraw/zinc/80/61/01/838806101.db2.gz JNTHPPKTQCMROY-OAHLLOKOSA-N 1 2 290.363 1.312 20 30 CDEDLO CC(C)N(C)c1ccc(C=[NH+]NC(=S)NC2CC2)cn1 ZINC000790148358 838821238 /nfs/dbraw/zinc/82/12/38/838821238.db2.gz HHFCJNKMCKORIO-UHFFFAOYSA-N 1 2 291.424 1.887 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)cn1 ZINC001038943126 838823613 /nfs/dbraw/zinc/82/36/13/838823613.db2.gz STBWLUXMISNSTJ-LBPRGKRZSA-N 1 2 277.755 1.562 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)cn1 ZINC001038943126 838823615 /nfs/dbraw/zinc/82/36/15/838823615.db2.gz STBWLUXMISNSTJ-LBPRGKRZSA-N 1 2 277.755 1.562 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2c(F)cncc2F)CC1 ZINC000874263537 838834868 /nfs/dbraw/zinc/83/48/68/838834868.db2.gz IDIPLCQQQLDJNG-UHFFFAOYSA-N 1 2 279.290 1.141 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccnn2C)C1 ZINC001034128067 838835994 /nfs/dbraw/zinc/83/59/94/838835994.db2.gz QTVDCYPUJSVPJI-GFCCVEGCSA-N 1 2 296.802 1.757 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccnn2C)C1 ZINC001034128067 838835995 /nfs/dbraw/zinc/83/59/95/838835995.db2.gz QTVDCYPUJSVPJI-GFCCVEGCSA-N 1 2 296.802 1.757 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn(CC)c2)C1 ZINC001042549381 838875899 /nfs/dbraw/zinc/87/58/99/838875899.db2.gz DZNWDWRWWAQOPH-UHFFFAOYSA-N 1 2 262.357 1.235 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(C)n(C)n2)C1 ZINC001046175137 838875973 /nfs/dbraw/zinc/87/59/73/838875973.db2.gz CHYLKLSUGJNLFQ-AWEZNQCLSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(C)n(C)n2)C1 ZINC001046175137 838875974 /nfs/dbraw/zinc/87/59/74/838875974.db2.gz CHYLKLSUGJNLFQ-AWEZNQCLSA-N 1 2 296.802 1.675 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2sc(C3CC3)nc2C)C1 ZINC001014401941 838888721 /nfs/dbraw/zinc/88/87/21/838888721.db2.gz UBHPOKMHESRLHT-GFCCVEGCSA-N 1 2 289.404 1.766 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2sc(C3CC3)nc2C)C1 ZINC001014401941 838888723 /nfs/dbraw/zinc/88/87/23/838888723.db2.gz UBHPOKMHESRLHT-GFCCVEGCSA-N 1 2 289.404 1.766 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CCC[C@@H](OC)C2)C1 ZINC001030418119 838973300 /nfs/dbraw/zinc/97/33/00/838973300.db2.gz FKQWXXLFCNJIRX-UKRRQHHQSA-N 1 2 278.396 1.405 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC001038479296 839115012 /nfs/dbraw/zinc/11/50/12/839115012.db2.gz HWSWHHZHOSSNCF-AWEZNQCLSA-N 1 2 294.358 1.514 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC001038479296 839115023 /nfs/dbraw/zinc/11/50/23/839115023.db2.gz HWSWHHZHOSSNCF-AWEZNQCLSA-N 1 2 294.358 1.514 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(C)cc1OC ZINC000884097098 839135967 /nfs/dbraw/zinc/13/59/67/839135967.db2.gz TZYWCWJSIATEBR-NSHDSACASA-N 1 2 292.335 1.389 20 30 CDEDLO Cc1nc(NCC[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001066286386 839149796 /nfs/dbraw/zinc/14/97/96/839149796.db2.gz PBJLGMNVHBOWES-WCQYABFASA-N 1 2 287.367 1.595 20 30 CDEDLO Cc1nc(N[C@@H](C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001065704511 839173295 /nfs/dbraw/zinc/17/32/95/839173295.db2.gz ZORFFHYXYZROBS-SWLSCSKDSA-N 1 2 298.390 1.847 20 30 CDEDLO C=C[C@H](CC)CC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000824121062 839235800 /nfs/dbraw/zinc/23/58/00/839235800.db2.gz VTRYDOAXHKJMDW-OAHLLOKOSA-N 1 2 298.427 1.396 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1coc2ccc(OC)cc21 ZINC001038494928 839254221 /nfs/dbraw/zinc/25/42/21/839254221.db2.gz XFGCFGSELDYAAU-LBPRGKRZSA-N 1 2 298.342 1.879 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1coc2ccc(OC)cc21 ZINC001038494928 839254239 /nfs/dbraw/zinc/25/42/39/839254239.db2.gz XFGCFGSELDYAAU-LBPRGKRZSA-N 1 2 298.342 1.879 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2snnc2C)C1 ZINC001033746662 839263076 /nfs/dbraw/zinc/26/30/76/839263076.db2.gz FCNUAZFOFDWLRC-LLVKDONJSA-N 1 2 278.381 1.016 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2snnc2C)C1 ZINC001033746662 839263092 /nfs/dbraw/zinc/26/30/92/839263092.db2.gz FCNUAZFOFDWLRC-LLVKDONJSA-N 1 2 278.381 1.016 20 30 CDEDLO CCOC(=O)[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)C(C)(C)C ZINC000886077394 839271338 /nfs/dbraw/zinc/27/13/38/839271338.db2.gz YZPGBFVGXIYXKA-CHWSQXEVSA-N 1 2 296.411 1.999 20 30 CDEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cnon1)CC2 ZINC001035820462 839278299 /nfs/dbraw/zinc/27/82/99/839278299.db2.gz IPVBTDZTYGEPHI-UHFFFAOYSA-N 1 2 296.758 1.360 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1C(C)(C)C ZINC001038895613 839338378 /nfs/dbraw/zinc/33/83/78/839338378.db2.gz GBQWWCFITJOXEG-NSHDSACASA-N 1 2 274.368 1.145 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1C(C)(C)C ZINC001038895613 839338393 /nfs/dbraw/zinc/33/83/93/839338393.db2.gz GBQWWCFITJOXEG-NSHDSACASA-N 1 2 274.368 1.145 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc3c2OCC3(C)C)C1 ZINC001031493195 839353737 /nfs/dbraw/zinc/35/37/37/839353737.db2.gz GEKHEDGUTHVZDU-UHFFFAOYSA-N 1 2 298.386 1.794 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001030413598 839359775 /nfs/dbraw/zinc/35/97/75/839359775.db2.gz APPPOQJKSANCOJ-UHFFFAOYSA-N 1 2 281.359 1.685 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1coc2ccc(OC)cc21 ZINC001038494925 839360385 /nfs/dbraw/zinc/36/03/85/839360385.db2.gz XFGCFGSELDYAAU-GFCCVEGCSA-N 1 2 298.342 1.879 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc2ccc(OC)cc21 ZINC001038494925 839360398 /nfs/dbraw/zinc/36/03/98/839360398.db2.gz XFGCFGSELDYAAU-GFCCVEGCSA-N 1 2 298.342 1.879 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2occc2c1 ZINC001038287219 839365601 /nfs/dbraw/zinc/36/56/01/839365601.db2.gz KNRSJZYNIYHKDA-AWEZNQCLSA-N 1 2 268.316 1.870 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2occc2c1 ZINC001038287219 839365610 /nfs/dbraw/zinc/36/56/10/839365610.db2.gz KNRSJZYNIYHKDA-AWEZNQCLSA-N 1 2 268.316 1.870 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000852468336 839401402 /nfs/dbraw/zinc/40/14/02/839401402.db2.gz MOOZWIHVSXHNPJ-RISCZKNCSA-N 1 2 260.312 1.710 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000852468336 839401418 /nfs/dbraw/zinc/40/14/18/839401418.db2.gz MOOZWIHVSXHNPJ-RISCZKNCSA-N 1 2 260.312 1.710 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C2CC2)n(CC)n1 ZINC001038327609 839409878 /nfs/dbraw/zinc/40/98/78/839409878.db2.gz PLFKEOYTFFGXAL-CYBMUJFWSA-N 1 2 286.379 1.218 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C2CC2)n(CC)n1 ZINC001038327609 839409900 /nfs/dbraw/zinc/40/99/00/839409900.db2.gz PLFKEOYTFFGXAL-CYBMUJFWSA-N 1 2 286.379 1.218 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000884048448 839411990 /nfs/dbraw/zinc/41/19/90/839411990.db2.gz LMKXXBFBUMEJOO-QNWHQSFQSA-N 1 2 282.384 1.374 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc[nH]c2)C1 ZINC001035378097 839667771 /nfs/dbraw/zinc/66/77/71/839667771.db2.gz OSKVJAYAKGOEES-CYBMUJFWSA-N 1 2 263.341 1.021 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc[nH]c2)C1 ZINC001035378097 839667776 /nfs/dbraw/zinc/66/77/76/839667776.db2.gz OSKVJAYAKGOEES-CYBMUJFWSA-N 1 2 263.341 1.021 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cnn(C)c2C2CC2)C1 ZINC001044366924 839675118 /nfs/dbraw/zinc/67/51/18/839675118.db2.gz NSUFTFIEVBERQO-UHFFFAOYSA-N 1 2 286.379 1.077 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccon2)C1 ZINC001010388623 839738039 /nfs/dbraw/zinc/73/80/39/839738039.db2.gz WBUPPABBOQKQMD-NSHDSACASA-N 1 2 269.732 1.160 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccon2)C1 ZINC001010388623 839738050 /nfs/dbraw/zinc/73/80/50/839738050.db2.gz WBUPPABBOQKQMD-NSHDSACASA-N 1 2 269.732 1.160 20 30 CDEDLO C[C@H]1C[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004525638 839766552 /nfs/dbraw/zinc/76/65/52/839766552.db2.gz HHTCJJYZZQCXDM-QEJZJMRPSA-N 1 2 275.396 1.869 20 30 CDEDLO C[C@H]1C[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004525638 839766558 /nfs/dbraw/zinc/76/65/58/839766558.db2.gz HHTCJJYZZQCXDM-QEJZJMRPSA-N 1 2 275.396 1.869 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc(C2CC2)nc1 ZINC001038779364 839823976 /nfs/dbraw/zinc/82/39/76/839823976.db2.gz DFJDUAURQMQXPB-AWEZNQCLSA-N 1 2 284.363 1.181 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc(C2CC2)nc1 ZINC001038779364 839823978 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C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C(C)C)nn2C)C1 ZINC001044128864 840036556 /nfs/dbraw/zinc/03/65/56/840036556.db2.gz DBGXLZSADJYTDP-UHFFFAOYSA-N 1 2 290.411 1.876 20 30 CDEDLO Cc1cc(=O)[nH]c(N=NC2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000848398383 840146693 /nfs/dbraw/zinc/14/66/93/840146693.db2.gz HBVDBAWWDXSHQD-GFCCVEGCSA-N 1 2 275.356 1.907 20 30 CDEDLO Cc1cc(=O)[nH]c(N=NC2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000848398383 840146700 /nfs/dbraw/zinc/14/67/00/840146700.db2.gz HBVDBAWWDXSHQD-GFCCVEGCSA-N 1 2 275.356 1.907 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2C[C@H](C)Cc3cn[nH]c32)C1 ZINC001043622102 840172030 /nfs/dbraw/zinc/17/20/30/840172030.db2.gz KYWYLWIYPGYZBU-RISCZKNCSA-N 1 2 288.395 1.404 20 30 CDEDLO N#CCN1CCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001027969396 840212198 /nfs/dbraw/zinc/21/21/98/840212198.db2.gz KYIXZCAEGIZDSH-GFCCVEGCSA-N 1 2 283.335 1.281 20 30 CDEDLO CN(C)c1cc(C#N)cc(C(=O)OCc2c[nH+]cn2C)c1 ZINC000815968044 840226800 /nfs/dbraw/zinc/22/68/00/840226800.db2.gz 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/nfs/dbraw/zinc/75/22/73/840752273.db2.gz CYMUVQHPBYODAI-STQMWFEESA-N 1 2 286.379 1.455 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncc(F)cc1F ZINC001038414407 840786193 /nfs/dbraw/zinc/78/61/93/840786193.db2.gz BLHHRUHOCSCRNQ-LLVKDONJSA-N 1 2 279.290 1.187 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncc(F)cc1F ZINC001038414407 840786212 /nfs/dbraw/zinc/78/62/12/840786212.db2.gz BLHHRUHOCSCRNQ-LLVKDONJSA-N 1 2 279.290 1.187 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc3ccccc3c(=O)[nH]2)C1 ZINC001030441806 840802970 /nfs/dbraw/zinc/80/29/70/840802970.db2.gz GSGJMFAKBHQVGA-UHFFFAOYSA-N 1 2 295.342 1.378 20 30 CDEDLO Cn1cc[nH+]c1NN=Cc1ccc2c(c1)NC(=O)CO2 ZINC000790302717 840840527 /nfs/dbraw/zinc/84/05/27/840840527.db2.gz XUNYSNYVOBDDGT-UHFFFAOYSA-N 1 2 271.280 1.197 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2c1O[C@@H](C)C2 ZINC001038542166 840856574 /nfs/dbraw/zinc/85/65/74/840856574.db2.gz LOQLZLPDPFSKCK-JSGCOSHPSA-N 1 2 284.359 1.447 20 30 CDEDLO 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841138043 /nfs/dbraw/zinc/13/80/43/841138043.db2.gz BIYRYQNYSXAHFD-UMSKNGNOSA-N 1 2 289.766 1.620 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000883086025 841321023 /nfs/dbraw/zinc/32/10/23/841321023.db2.gz JFFUQBXOIPFINK-UHFFFAOYSA-N 1 2 271.386 1.224 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC001038555712 841345310 /nfs/dbraw/zinc/34/53/10/841345310.db2.gz NQLCVNYWLZRQOC-ZDUSSCGKSA-N 1 2 274.368 1.291 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC001038555712 841345325 /nfs/dbraw/zinc/34/53/25/841345325.db2.gz NQLCVNYWLZRQOC-ZDUSSCGKSA-N 1 2 274.368 1.291 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2n[nH]nc2-c2ccccc2)C1 ZINC001016355073 841351273 /nfs/dbraw/zinc/35/12/73/841351273.db2.gz TYZCETUKQSCDQM-ZDUSSCGKSA-N 1 2 297.362 1.462 20 30 CDEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2n[nH]nc2-c2ccccc2)C1 ZINC001016355073 841351285 /nfs/dbraw/zinc/35/12/85/841351285.db2.gz TYZCETUKQSCDQM-ZDUSSCGKSA-N 1 2 297.362 1.462 20 30 CDEDLO C#CCO[C@H](C)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927076206 841354231 /nfs/dbraw/zinc/35/42/31/841354231.db2.gz FFUWYUFKNMCFOA-CYBMUJFWSA-N 1 2 287.363 1.523 20 30 CDEDLO C=CCCCCC[N@@H+](C)CN1C(=O)c2nccnc2C1=O ZINC000840007800 841394399 /nfs/dbraw/zinc/39/43/99/841394399.db2.gz QDJPLBHPJSDZDL-UHFFFAOYSA-N 1 2 288.351 1.708 20 30 CDEDLO C=CCCCCC[N@H+](C)CN1C(=O)c2nccnc2C1=O ZINC000840007800 841394412 /nfs/dbraw/zinc/39/44/12/841394412.db2.gz QDJPLBHPJSDZDL-UHFFFAOYSA-N 1 2 288.351 1.708 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cccc(C)c2F)C1 ZINC001042759174 841430981 /nfs/dbraw/zinc/43/09/81/841430981.db2.gz NYUPNLAHLMQXLN-UHFFFAOYSA-N 1 2 274.339 1.914 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1sc(C)nc1C ZINC001032528874 841579570 /nfs/dbraw/zinc/57/95/70/841579570.db2.gz JKLWTBVQABDHOZ-STQMWFEESA-N 1 2 289.404 1.221 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1sc(C)nc1C ZINC001032528874 841579587 /nfs/dbraw/zinc/57/95/87/841579587.db2.gz JKLWTBVQABDHOZ-STQMWFEESA-N 1 2 289.404 1.221 20 30 CDEDLO Cc1nc(NC[C@H]2CCN(C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001060869937 841759951 /nfs/dbraw/zinc/75/99/51/841759951.db2.gz BTRVLVZXCBZMJC-CQSZACIVSA-N 1 2 284.363 1.459 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cncc(C)c1 ZINC001017772790 841834162 /nfs/dbraw/zinc/83/41/62/841834162.db2.gz NHXRVXHKPPIAAF-IYBDPMFKSA-N 1 2 283.375 1.241 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cncc(C)c1 ZINC001017772790 841834164 /nfs/dbraw/zinc/83/41/64/841834164.db2.gz NHXRVXHKPPIAAF-IYBDPMFKSA-N 1 2 283.375 1.241 20 30 CDEDLO C[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1cccc(C#N)c1O ZINC000883376326 841852265 /nfs/dbraw/zinc/85/22/65/841852265.db2.gz ILTTXESGRNQUPW-DLOVCJGASA-N 1 2 294.376 1.490 20 30 CDEDLO C[C@@H](C#N)OCC[N@@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879766561 841858135 /nfs/dbraw/zinc/85/81/35/841858135.db2.gz OILMUTFOXZUHEQ-ONGXEEELSA-N 1 2 293.289 1.058 20 30 CDEDLO C[C@@H](C#N)OCC[N@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879766561 841858137 /nfs/dbraw/zinc/85/81/37/841858137.db2.gz OILMUTFOXZUHEQ-ONGXEEELSA-N 1 2 293.289 1.058 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@@H](CC)O2)C1 ZINC001042825474 841865880 /nfs/dbraw/zinc/86/58/80/841865880.db2.gz AGSBZJKWXSDHQQ-ZIAGYGMSSA-N 1 2 264.369 1.110 20 30 CDEDLO C#CCNC(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000038425320 841875332 /nfs/dbraw/zinc/87/53/32/841875332.db2.gz BTXMWIDIXHLLMI-UHFFFAOYSA-N 1 2 291.782 1.211 20 30 CDEDLO C=C[C@H](CC)CC(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000827910445 841888078 /nfs/dbraw/zinc/88/80/78/841888078.db2.gz JZTAUAUDQIJHSB-TZMCWYRMSA-N 1 2 276.384 1.495 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2ccncc2n1 ZINC001038523880 841922066 /nfs/dbraw/zinc/92/20/66/841922066.db2.gz TUGWXPVKFSMPAW-CYBMUJFWSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2ccncc2n1 ZINC001038523880 841922090 /nfs/dbraw/zinc/92/20/90/841922090.db2.gz TUGWXPVKFSMPAW-CYBMUJFWSA-N 1 2 280.331 1.067 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001015725368 841943467 /nfs/dbraw/zinc/94/34/67/841943467.db2.gz VZLCFJPARFVNLO-GRYCIOLGSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001015725368 841943476 /nfs/dbraw/zinc/94/34/76/841943476.db2.gz VZLCFJPARFVNLO-GRYCIOLGSA-N 1 2 256.777 1.976 20 30 CDEDLO CC[N@@H+]1CCO[C@H](C(=O)OCCCCC(C)(C)C#N)C1 ZINC000805477899 841954722 /nfs/dbraw/zinc/95/47/22/841954722.db2.gz AYRKHURTJKNYCF-ZDUSSCGKSA-N 1 2 282.384 1.970 20 30 CDEDLO CC[N@H+]1CCO[C@H](C(=O)OCCCCC(C)(C)C#N)C1 ZINC000805477899 841954735 /nfs/dbraw/zinc/95/47/35/841954735.db2.gz AYRKHURTJKNYCF-ZDUSSCGKSA-N 1 2 282.384 1.970 20 30 CDEDLO C#C[C@H]([NH2+]Cc1cnc(Cl)cn1)[C@H]1CCCO1 ZINC000799167124 842077788 /nfs/dbraw/zinc/07/77/88/842077788.db2.gz UGZOYQBKBNQFLC-WDEREUQCSA-N 1 2 251.717 1.400 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(F)ccc2OC)CC1 ZINC000068444902 842154532 /nfs/dbraw/zinc/15/45/32/842154532.db2.gz QZDDHFQUDMGWMC-UHFFFAOYSA-N 1 2 290.338 1.615 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C)c1F ZINC001038276105 842219739 /nfs/dbraw/zinc/21/97/39/842219739.db2.gz MEFTYFZAHJWJCA-LBPRGKRZSA-N 1 2 260.312 1.571 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(C)c1F ZINC001038276105 842219730 /nfs/dbraw/zinc/21/97/30/842219730.db2.gz MEFTYFZAHJWJCA-LBPRGKRZSA-N 1 2 260.312 1.571 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(F)c(C)cc1F ZINC001038383523 842227884 /nfs/dbraw/zinc/22/78/84/842227884.db2.gz HXMHNNJKOYKIKN-NSHDSACASA-N 1 2 278.302 1.711 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)c(C)cc1F ZINC001038383523 842227895 /nfs/dbraw/zinc/22/78/95/842227895.db2.gz HXMHNNJKOYKIKN-NSHDSACASA-N 1 2 278.302 1.711 20 30 CDEDLO C#CCC[C@H](O)CNc1nc(N)c2ccccc2[nH+]1 ZINC000798419938 842229317 /nfs/dbraw/zinc/22/93/17/842229317.db2.gz XCWULSDLYIGSDW-JTQLQIEISA-N 1 2 256.309 1.398 20 30 CDEDLO COc1cc(C=NNc2[nH+]ccn2C)cc(O)c1O ZINC000790305832 842258614 /nfs/dbraw/zinc/25/86/14/842258614.db2.gz OVKUGPGCIDFDHP-UHFFFAOYSA-N 1 2 262.269 1.286 20 30 CDEDLO N#Cc1cc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)c[nH]1 ZINC000802243100 842275085 /nfs/dbraw/zinc/27/50/85/842275085.db2.gz YEDBVKXQBRISLT-NSHDSACASA-N 1 2 251.261 1.087 20 30 CDEDLO N#Cc1cc(C(=O)O[C@H]2CC[N@H+](CCF)C2)c[nH]1 ZINC000802243100 842275103 /nfs/dbraw/zinc/27/51/03/842275103.db2.gz YEDBVKXQBRISLT-NSHDSACASA-N 1 2 251.261 1.087 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C1CCC1)O2 ZINC001053559134 842329153 /nfs/dbraw/zinc/32/91/53/842329153.db2.gz KSYLTUHBSZYXJY-CYBMUJFWSA-N 1 2 264.369 1.322 20 30 CDEDLO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001014430782 842398276 /nfs/dbraw/zinc/39/82/76/842398276.db2.gz GSDHVTVPKWGARJ-OLZOCXBDSA-N 1 2 286.379 1.043 20 30 CDEDLO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001014430782 842398280 /nfs/dbraw/zinc/39/82/80/842398280.db2.gz GSDHVTVPKWGARJ-OLZOCXBDSA-N 1 2 286.379 1.043 20 30 CDEDLO C#CC1CC[NH+](Cc2nc(C(=O)OC)cs2)CC1 ZINC000830350921 842400886 /nfs/dbraw/zinc/40/08/86/842400886.db2.gz JGRPUDWQWBIFKO-UHFFFAOYSA-N 1 2 264.350 1.775 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C(C)(C)c2cccnc2)C1 ZINC001030581846 842479229 /nfs/dbraw/zinc/47/92/29/842479229.db2.gz ZSQKGBNIVDDGKM-UHFFFAOYSA-N 1 2 273.380 1.736 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(Cl)o2)C1 ZINC001035289620 842554742 /nfs/dbraw/zinc/55/47/42/842554742.db2.gz DEDYQEOYOVRUPU-NSHDSACASA-N 1 2 298.770 1.940 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(Cl)o2)C1 ZINC001035289620 842554774 /nfs/dbraw/zinc/55/47/74/842554774.db2.gz DEDYQEOYOVRUPU-NSHDSACASA-N 1 2 298.770 1.940 20 30 CDEDLO Cc1conc1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000971211664 842779182 /nfs/dbraw/zinc/77/91/82/842779182.db2.gz UWMITVSLNXWCBO-CMPLNLGQSA-N 1 2 276.340 1.175 20 30 CDEDLO Cc1conc1C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000971211664 842779202 /nfs/dbraw/zinc/77/92/02/842779202.db2.gz UWMITVSLNXWCBO-CMPLNLGQSA-N 1 2 276.340 1.175 20 30 CDEDLO C=C(C)CNC(=S)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000849280818 842806421 /nfs/dbraw/zinc/80/64/21/842806421.db2.gz HWRCARSOEZAKDC-NWDGAFQWSA-N 1 2 271.430 1.136 20 30 CDEDLO C=C(C)CNC(=S)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000849280818 842806425 /nfs/dbraw/zinc/80/64/25/842806425.db2.gz HWRCARSOEZAKDC-NWDGAFQWSA-N 1 2 271.430 1.136 20 30 CDEDLO Cc1cn(C(C)(C)C(=O)N(C)C2CC(NCC#N)C2)c[nH+]1 ZINC000998988665 842810232 /nfs/dbraw/zinc/81/02/32/842810232.db2.gz YHGXAGJWQLNWSE-UHFFFAOYSA-N 1 2 289.383 1.029 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001017836272 842841569 /nfs/dbraw/zinc/84/15/69/842841569.db2.gz CDWZAAUBSDICOW-ABTBWFIASA-N 1 2 258.365 1.341 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001017836272 842841572 /nfs/dbraw/zinc/84/15/72/842841572.db2.gz CDWZAAUBSDICOW-ABTBWFIASA-N 1 2 258.365 1.341 20 30 CDEDLO C#C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1ccccc1 ZINC000869067182 842866760 /nfs/dbraw/zinc/86/67/60/842866760.db2.gz ZDCKDVMBGMVVGT-YXMGTMDOSA-N 1 2 284.359 1.366 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2ncc[nH]2)c1 ZINC001038231179 842882484 /nfs/dbraw/zinc/88/24/84/842882484.db2.gz JZTWOYMBZJOAPI-AWEZNQCLSA-N 1 2 295.346 1.286 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ncc[nH]2)c1 ZINC001038231179 842882488 /nfs/dbraw/zinc/88/24/88/842882488.db2.gz JZTWOYMBZJOAPI-AWEZNQCLSA-N 1 2 295.346 1.286 20 30 CDEDLO C#CCCCCCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000780459369 842925655 /nfs/dbraw/zinc/92/56/55/842925655.db2.gz QGSRWURVJUASGN-CQSZACIVSA-N 1 2 266.385 1.407 20 30 CDEDLO C#CCCCCCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000780459369 842925667 /nfs/dbraw/zinc/92/56/67/842925667.db2.gz QGSRWURVJUASGN-CQSZACIVSA-N 1 2 266.385 1.407 20 30 CDEDLO N#CCCNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000426429936 842952547 /nfs/dbraw/zinc/95/25/47/842952547.db2.gz LDVVXFLQRFEUHR-YWEYNIOJSA-N 1 2 298.390 1.941 20 30 CDEDLO CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001095069733 912311153 /nfs/dbraw/zinc/31/11/53/912311153.db2.gz AMMHDOSYJWQMNZ-KBMXLJTQSA-N 1 2 287.338 1.939 20 30 CDEDLO CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001095069733 912311172 /nfs/dbraw/zinc/31/11/72/912311172.db2.gz AMMHDOSYJWQMNZ-KBMXLJTQSA-N 1 2 287.338 1.939 20 30 CDEDLO CCOC(=O)C[C@H]1CC[C@@H]([NH+]2CC(C)(C#N)C2)C1 ZINC001173637724 912679684 /nfs/dbraw/zinc/67/96/84/912679684.db2.gz AAFHWUOLPORIIP-NWDGAFQWSA-N 1 2 250.342 1.954 20 30 CDEDLO C#CCCCC(=O)N1CCC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001095295909 913108227 /nfs/dbraw/zinc/10/82/27/913108227.db2.gz MDFKJKCNTBNXDT-AWEZNQCLSA-N 1 2 286.379 1.991 20 30 CDEDLO C#CCCCC(=O)N1CCC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001095295910 913108280 /nfs/dbraw/zinc/10/82/80/913108280.db2.gz MDFKJKCNTBNXDT-CQSZACIVSA-N 1 2 286.379 1.991 20 30 CDEDLO C#C[C@@H](CC)NC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001121998254 913324140 /nfs/dbraw/zinc/32/41/40/913324140.db2.gz UHLZMWUJLADWSA-ZDUSSCGKSA-N 1 2 274.368 1.721 20 30 CDEDLO C=CC[NH2+]C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001106154782 913441467 /nfs/dbraw/zinc/44/14/67/913441467.db2.gz LAVOCBULWZBLSY-BBBLOLIVSA-N 1 2 282.281 1.757 20 30 CDEDLO C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C ZINC001106154782 913441480 /nfs/dbraw/zinc/44/14/80/913441480.db2.gz LAVOCBULWZBLSY-BBBLOLIVSA-N 1 2 282.281 1.757 20 30 CDEDLO CCCCN(CC#N)C(=O)c1cc2n(n1)CCC[N@H+](C)C2 ZINC001175078491 913453272 /nfs/dbraw/zinc/45/32/72/913453272.db2.gz ZRIUCXFLVWLTEK-UHFFFAOYSA-N 1 2 289.383 1.484 20 30 CDEDLO CCCCN(CC#N)C(=O)c1cc2n(n1)CCC[N@@H+](C)C2 ZINC001175078491 913453282 /nfs/dbraw/zinc/45/32/82/913453282.db2.gz ZRIUCXFLVWLTEK-UHFFFAOYSA-N 1 2 289.383 1.484 20 30 CDEDLO Cc1nc(NCC[C@H](C)NC(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001106275481 913771515 /nfs/dbraw/zinc/77/15/15/913771515.db2.gz AIBZBQQBANYSOK-JTQLQIEISA-N 1 2 298.350 1.605 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N[C@H](C)CCNc1cc[nH+]c(C)n1 ZINC001106303948 913835380 /nfs/dbraw/zinc/83/53/80/913835380.db2.gz DOUVCUJYDKEONZ-ABAIWWIYSA-N 1 2 292.383 1.419 20 30 CDEDLO COc1ccnc(N2CCC(n3cc[nH+]c3)CC2)c1C#N ZINC001167123556 894648246 /nfs/dbraw/zinc/64/82/46/894648246.db2.gz BVVJICCTGLVQLM-UHFFFAOYSA-N 1 2 283.335 2.000 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(COC)CCCC1 ZINC001235089408 914017237 /nfs/dbraw/zinc/01/72/37/914017237.db2.gz JDCHDPAWUGBKDU-AWEZNQCLSA-N 1 2 278.396 1.359 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(COC)CCCC1 ZINC001235089408 914017247 /nfs/dbraw/zinc/01/72/47/914017247.db2.gz JDCHDPAWUGBKDU-AWEZNQCLSA-N 1 2 278.396 1.359 20 30 CDEDLO Cc1nc(NC[C@@H](C)N(C)C(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001104508492 897806060 /nfs/dbraw/zinc/80/60/60/897806060.db2.gz GIKQIRZKHXRNCK-SNVBAGLBSA-N 1 2 298.350 1.557 20 30 CDEDLO COc1cc(C#N)c(F)cc1NC(=O)CCn1cc[nH+]c1 ZINC001176878617 914333311 /nfs/dbraw/zinc/33/33/11/914333311.db2.gz AYXSVPOTROQWHI-UHFFFAOYSA-N 1 2 288.282 1.931 20 30 CDEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)CCC)C[C@@H]21 ZINC001176881440 914338776 /nfs/dbraw/zinc/33/87/76/914338776.db2.gz DXRAZHCSZCEFJU-GJZGRUSLSA-N 1 2 296.411 1.291 20 30 CDEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCC)C[C@@H]21 ZINC001176881440 914338791 /nfs/dbraw/zinc/33/87/91/914338791.db2.gz DXRAZHCSZCEFJU-GJZGRUSLSA-N 1 2 296.411 1.291 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C(/C)CC)C[C@@H]21 ZINC001177002267 914428282 /nfs/dbraw/zinc/42/82/82/914428282.db2.gz YDANVBBROJLVGW-WJAHIIFUSA-N 1 2 278.396 1.830 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C(/C)CC)C[C@@H]21 ZINC001177002267 914428287 /nfs/dbraw/zinc/42/82/87/914428287.db2.gz YDANVBBROJLVGW-WJAHIIFUSA-N 1 2 278.396 1.830 20 30 CDEDLO N#Cc1cncc(NCc2c[nH+]cn2CC2CCC2)n1 ZINC001161531949 900682012 /nfs/dbraw/zinc/68/20/12/900682012.db2.gz WEGSURSPPXAMQT-UHFFFAOYSA-N 1 2 268.324 1.957 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001038824488 901041957 /nfs/dbraw/zinc/04/19/57/901041957.db2.gz YSHQVDSYTZTPJQ-CJNGLKHVSA-N 1 2 298.386 1.837 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001038824488 901041968 /nfs/dbraw/zinc/04/19/68/901041968.db2.gz YSHQVDSYTZTPJQ-CJNGLKHVSA-N 1 2 298.386 1.837 20 30 CDEDLO C#CC(=O)N1CC[C@H]2C[N@H+](Cc3nc4ccccc4[nH]3)C[C@H]21 ZINC001268941706 903253806 /nfs/dbraw/zinc/25/38/06/903253806.db2.gz DJVGICMENZGHHJ-SWLSCSKDSA-N 1 2 294.358 1.229 20 30 CDEDLO C#CC(=O)N1CC[C@H]2C[N@@H+](Cc3nc4ccccc4[nH]3)C[C@H]21 ZINC001268941706 903253816 /nfs/dbraw/zinc/25/38/16/903253816.db2.gz DJVGICMENZGHHJ-SWLSCSKDSA-N 1 2 294.358 1.229 20 30 CDEDLO C=C(C(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2)C(F)(F)F ZINC001269004777 903322841 /nfs/dbraw/zinc/32/28/41/903322841.db2.gz RAXMINUYOAERKI-UHFFFAOYSA-N 1 2 299.296 1.777 20 30 CDEDLO CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(F)C(F)(F)F ZINC001226356392 905139491 /nfs/dbraw/zinc/13/94/91/905139491.db2.gz UQTRXWWUINSPNT-MXWKQRLJSA-N 1 2 294.292 1.927 20 30 CDEDLO CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](F)C(F)(F)F ZINC001226356392 905139499 /nfs/dbraw/zinc/13/94/99/905139499.db2.gz UQTRXWWUINSPNT-MXWKQRLJSA-N 1 2 294.292 1.927 20 30 CDEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)CCCF)c2C1 ZINC001128443741 921303946 /nfs/dbraw/zinc/30/39/46/921303946.db2.gz OUXHLYKBGOCQGB-UHFFFAOYSA-N 1 2 294.374 1.641 20 30 CDEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)CCCF)c2C1 ZINC001128443741 921303950 /nfs/dbraw/zinc/30/39/50/921303950.db2.gz OUXHLYKBGOCQGB-UHFFFAOYSA-N 1 2 294.374 1.641 20 30 CDEDLO COc1ccc(C#N)c(C(=O)NCCOc2cc[nH+]cc2)c1 ZINC001189103278 921325487 /nfs/dbraw/zinc/32/54/87/921325487.db2.gz IRULHYMFXQGQIS-UHFFFAOYSA-N 1 2 297.314 1.771 20 30 CDEDLO Cc1ccc2[nH+]cc(CN3CCOC[C@@H]3C#N)n2c1 ZINC000093457149 908188982 /nfs/dbraw/zinc/18/89/82/908188982.db2.gz HORLCNCQLRURMB-LBPRGKRZSA-N 1 2 256.309 1.367 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H]1C ZINC001088803698 909474727 /nfs/dbraw/zinc/47/47/27/909474727.db2.gz QPMVBOSMVLGTIQ-BNDIWNMDSA-N 1 2 284.787 1.210 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H]1C ZINC001088803698 909474731 /nfs/dbraw/zinc/47/47/31/909474731.db2.gz QPMVBOSMVLGTIQ-BNDIWNMDSA-N 1 2 284.787 1.210 20 30 CDEDLO C=CCO[C@H](C)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001093161353 909674091 /nfs/dbraw/zinc/67/40/91/909674091.db2.gz WDQGOEUHLSWWOE-GFCCVEGCSA-N 1 2 290.367 1.025 20 30 CDEDLO C=CCCC(=O)N[C@@H](C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001077014879 910146780 /nfs/dbraw/zinc/14/67/80/910146780.db2.gz RVHXJFZDOHOLNY-LBPRGKRZSA-N 1 2 292.383 1.320 20 30 CDEDLO C=CCCC(=O)N[C@@H](C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001077014879 910146790 /nfs/dbraw/zinc/14/67/90/910146790.db2.gz RVHXJFZDOHOLNY-LBPRGKRZSA-N 1 2 292.383 1.320 20 30 CDEDLO C#Cc1ccc(C(=O)NCCCNc2cc[nH+]c(C)n2)nc1 ZINC001094509091 910629519 /nfs/dbraw/zinc/62/95/19/910629519.db2.gz DSFQWMFTUQGUSL-UHFFFAOYSA-N 1 2 295.346 1.393 20 30 CDEDLO C=CCN1CC[C@@]2(CCN(c3cc[nH+]c(OC)c3)C2)C1=O ZINC001273585076 921608647 /nfs/dbraw/zinc/60/86/47/921608647.db2.gz LCKGMTMFQUAKKB-INIZCTEOSA-N 1 2 287.363 1.705 20 30 CDEDLO N#CCC[N@H+](Cc1cccnc1)[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172161024 911397588 /nfs/dbraw/zinc/39/75/88/911397588.db2.gz FYDSQOYPSORWKW-JKSUJKDBSA-N 1 2 298.390 1.951 20 30 CDEDLO N#CCC[N@@H+](Cc1cccnc1)[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172161024 911397610 /nfs/dbraw/zinc/39/76/10/911397610.db2.gz FYDSQOYPSORWKW-JKSUJKDBSA-N 1 2 298.390 1.951 20 30 CDEDLO C=C[C@H]1C[C@]1([NH2+]C1C[C@@H]2C=C[C@H](C1)O2)C(=O)OCC ZINC001172234251 911478405 /nfs/dbraw/zinc/47/84/05/911478405.db2.gz GNGCRBNKUABPQW-HHQTYALHSA-N 1 2 263.337 1.570 20 30 CDEDLO C[C@@H](CCCC#N)[N@@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001172509388 911740406 /nfs/dbraw/zinc/74/04/06/911740406.db2.gz KVXKFIKXIBOQOU-ZDUSSCGKSA-N 1 2 272.352 1.813 20 30 CDEDLO C[C@@H](CCCC#N)[N@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001172509388 911740413 /nfs/dbraw/zinc/74/04/13/911740413.db2.gz KVXKFIKXIBOQOU-ZDUSSCGKSA-N 1 2 272.352 1.813 20 30 CDEDLO CC1(C)CC(=O)C=C(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001178118754 915181653 /nfs/dbraw/zinc/18/16/53/915181653.db2.gz GHSNAZXXSVWCPU-NSHDSACASA-N 1 2 287.363 1.835 20 30 CDEDLO CC(C)C[C@@](C)(C#N)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178121408 915227818 /nfs/dbraw/zinc/22/78/18/915227818.db2.gz HEGRZTUQEPWEKE-WFASDCNBSA-N 1 2 274.368 1.890 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(C)nn1 ZINC001485299907 916779669 /nfs/dbraw/zinc/77/96/69/916779669.db2.gz MNHOACZBEQOIHE-NSHDSACASA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(C)nn1 ZINC001485299907 916779680 /nfs/dbraw/zinc/77/96/80/916779680.db2.gz MNHOACZBEQOIHE-NSHDSACASA-N 1 2 282.775 1.588 20 30 CDEDLO C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1nnc[nH]1 ZINC001054056281 936426659 /nfs/dbraw/zinc/42/66/59/936426659.db2.gz CBMFVQYDCORLBT-AWEZNQCLSA-N 1 2 297.362 1.147 20 30 CDEDLO C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1nnc[nH]1 ZINC001054056281 936426662 /nfs/dbraw/zinc/42/66/62/936426662.db2.gz CBMFVQYDCORLBT-AWEZNQCLSA-N 1 2 297.362 1.147 20 30 CDEDLO C[C@@H]([NH2+]CCNC(=O)[C@@H](C)C#N)c1nc(C(C)(C)C)no1 ZINC001124908323 917757776 /nfs/dbraw/zinc/75/77/76/917757776.db2.gz IHFVKJYLRJZMEI-VHSXEESVSA-N 1 2 293.371 1.294 20 30 CDEDLO C[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccc(C#N)cc1 ZINC001182800977 918136451 /nfs/dbraw/zinc/13/64/51/918136451.db2.gz WSGRDLBLZCLXSC-IUODEOHRSA-N 1 2 287.363 1.109 20 30 CDEDLO C[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccc(C#N)cc1 ZINC001182800977 918136458 /nfs/dbraw/zinc/13/64/58/918136458.db2.gz WSGRDLBLZCLXSC-IUODEOHRSA-N 1 2 287.363 1.109 20 30 CDEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001182897857 918204017 /nfs/dbraw/zinc/20/40/17/918204017.db2.gz IAZVKQWMBKAVKS-GFCCVEGCSA-N 1 2 292.383 1.671 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCSC)C1 ZINC001107722949 918689000 /nfs/dbraw/zinc/68/90/00/918689000.db2.gz RAVATMTVVUYHKX-ZDUSSCGKSA-N 1 2 272.414 1.133 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCSC)C1 ZINC001107722949 918689008 /nfs/dbraw/zinc/68/90/08/918689008.db2.gz RAVATMTVVUYHKX-ZDUSSCGKSA-N 1 2 272.414 1.133 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(Cl)o2)C1 ZINC001107739499 918718366 /nfs/dbraw/zinc/71/83/66/918718366.db2.gz MDMLZMKEXFETMQ-CQSZACIVSA-N 1 2 298.770 1.940 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(Cl)o2)C1 ZINC001107739499 918718377 /nfs/dbraw/zinc/71/83/77/918718377.db2.gz MDMLZMKEXFETMQ-CQSZACIVSA-N 1 2 298.770 1.940 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC2CCC2)C1 ZINC001107844668 918866324 /nfs/dbraw/zinc/86/63/24/918866324.db2.gz YSZBREYPPUPBQN-INIZCTEOSA-N 1 2 278.396 1.407 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CC2CCC2)C1 ZINC001107844668 918866335 /nfs/dbraw/zinc/86/63/35/918866335.db2.gz YSZBREYPPUPBQN-INIZCTEOSA-N 1 2 278.396 1.407 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C=C2CCC2)C1 ZINC001107862603 918922861 /nfs/dbraw/zinc/92/28/61/918922861.db2.gz UGSGOPUCWFMHNB-MRXNPFEDSA-N 1 2 276.380 1.327 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C=C2CCC2)C1 ZINC001107862603 918922876 /nfs/dbraw/zinc/92/28/76/918922876.db2.gz UGSGOPUCWFMHNB-MRXNPFEDSA-N 1 2 276.380 1.327 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2nc(C)ccc2C)CC1 ZINC001184592852 919206043 /nfs/dbraw/zinc/20/60/43/919206043.db2.gz SEYWJHSIPPDNPB-UHFFFAOYSA-N 1 2 259.353 1.642 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC(C)(C)C=C)C1 ZINC001107971444 919369506 /nfs/dbraw/zinc/36/95/06/919369506.db2.gz SBLZUYYATIUBRA-INIZCTEOSA-N 1 2 280.412 1.982 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CC(C)(C)C=C)C1 ZINC001107971444 919369518 /nfs/dbraw/zinc/36/95/18/919369518.db2.gz SBLZUYYATIUBRA-INIZCTEOSA-N 1 2 280.412 1.982 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CC(C)C)CC2)[C@H](OC)C1 ZINC001212390850 919481356 /nfs/dbraw/zinc/48/13/56/919481356.db2.gz FREZIAZDBDGQGB-ZIAGYGMSSA-N 1 2 278.396 1.261 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CC(C)C)CC2)[C@H](OC)C1 ZINC001212390850 919481367 /nfs/dbraw/zinc/48/13/67/919481367.db2.gz FREZIAZDBDGQGB-ZIAGYGMSSA-N 1 2 278.396 1.261 20 30 CDEDLO C=CCOc1ccccc1C[NH+]1CC(N2CCOCC2)C1 ZINC001139029555 936590023 /nfs/dbraw/zinc/59/00/23/936590023.db2.gz DFQFLSHTSXQWFU-UHFFFAOYSA-N 1 2 288.391 1.768 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2(C)CC2)C1 ZINC001276381669 936629416 /nfs/dbraw/zinc/62/94/16/936629416.db2.gz OHWVJOSUWNUQLK-JTQLQIEISA-N 1 2 256.777 1.976 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001078226886 920178415 /nfs/dbraw/zinc/17/84/15/920178415.db2.gz YLPXWNWERBINEV-ZIAGYGMSSA-N 1 2 298.342 1.149 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001078226886 920178419 /nfs/dbraw/zinc/17/84/19/920178419.db2.gz YLPXWNWERBINEV-ZIAGYGMSSA-N 1 2 298.342 1.149 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](Cc2cn3ccncc3n2)C1 ZINC001139696422 936636804 /nfs/dbraw/zinc/63/68/04/936636804.db2.gz LFPWGBBHUUZZDC-GFCCVEGCSA-N 1 2 255.325 1.855 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](Cc2cn3ccncc3n2)C1 ZINC001139696422 936636805 /nfs/dbraw/zinc/63/68/05/936636805.db2.gz LFPWGBBHUUZZDC-GFCCVEGCSA-N 1 2 255.325 1.855 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c1 ZINC001139646699 936633639 /nfs/dbraw/zinc/63/36/39/936633639.db2.gz FPBYRLGHIKGMDX-STQMWFEESA-N 1 2 252.264 1.602 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](F)[C@@H](O)C2)c1 ZINC001139646699 936633640 /nfs/dbraw/zinc/63/36/40/936633640.db2.gz FPBYRLGHIKGMDX-STQMWFEESA-N 1 2 252.264 1.602 20 30 CDEDLO CC(=O)N1CCC2(C[NH+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001140137542 936682244 /nfs/dbraw/zinc/68/22/44/936682244.db2.gz NAMJGUQYIARYQD-UHFFFAOYSA-N 1 2 287.338 1.752 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001033337135 922171996 /nfs/dbraw/zinc/17/19/96/922171996.db2.gz GEVGVESKGSPNEY-WUHRBBMRSA-N 1 2 284.787 1.164 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001033337135 922172005 /nfs/dbraw/zinc/17/20/05/922172005.db2.gz GEVGVESKGSPNEY-WUHRBBMRSA-N 1 2 284.787 1.164 20 30 CDEDLO CN(C)C(=O)C[N@H+](C)Cc1cc(F)c(C#N)c(F)c1 ZINC001140754358 936751093 /nfs/dbraw/zinc/75/10/93/936751093.db2.gz WYHBGRIYJREPQP-UHFFFAOYSA-N 1 2 267.279 1.356 20 30 CDEDLO CN(C)C(=O)C[N@@H+](C)Cc1cc(F)c(C#N)c(F)c1 ZINC001140754358 936751095 /nfs/dbraw/zinc/75/10/95/936751095.db2.gz WYHBGRIYJREPQP-UHFFFAOYSA-N 1 2 267.279 1.356 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCC2CC2)C1 ZINC001108145466 922765028 /nfs/dbraw/zinc/76/50/28/922765028.db2.gz KGNTYCYIPPCKDB-QGZVFWFLSA-N 1 2 292.423 1.797 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCCC2CC2)C1 ZINC001108145466 922765041 /nfs/dbraw/zinc/76/50/41/922765041.db2.gz KGNTYCYIPPCKDB-QGZVFWFLSA-N 1 2 292.423 1.797 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CCC)OCC)C1 ZINC001108147260 922773426 /nfs/dbraw/zinc/77/34/26/922773426.db2.gz ZUWZJVVSLNRSBL-ZBFHGGJFSA-N 1 2 298.427 1.585 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CCC)OCC)C1 ZINC001108147260 922773438 /nfs/dbraw/zinc/77/34/38/922773438.db2.gz 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1.849 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2occc2CC)C1 ZINC001108193154 925037744 /nfs/dbraw/zinc/03/77/44/925037744.db2.gz ZXZHXHDITVTTGX-MRXNPFEDSA-N 1 2 292.379 1.849 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CCCCCC)C1 ZINC001197081699 925049521 /nfs/dbraw/zinc/04/95/21/925049521.db2.gz AABMCQDZWQXQMV-RRFJBIMHSA-N 1 2 280.412 1.387 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CCCCCC)C1 ZINC001197081699 925049530 /nfs/dbraw/zinc/04/95/30/925049530.db2.gz AABMCQDZWQXQMV-RRFJBIMHSA-N 1 2 280.412 1.387 20 30 CDEDLO CN(CCNc1ccc(C#N)cn1)C(=O)CCc1[nH]cc[nH+]1 ZINC001101567802 936989979 /nfs/dbraw/zinc/98/99/79/936989979.db2.gz WWAICCIMUGAVQI-UHFFFAOYSA-N 1 2 298.350 1.179 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cn(CC(C)C)cn2)CC1 ZINC001198566072 925453706 /nfs/dbraw/zinc/45/37/06/925453706.db2.gz QBDFZOYHMKIRSF-UHFFFAOYSA-N 1 2 276.384 1.483 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1C[N@@H+](Cc2cnsn2)C[C@H]1C ZINC001101805319 937014124 /nfs/dbraw/zinc/01/41/24/937014124.db2.gz MUUUWEVLOIZEIO-VXGBXAGGSA-N 1 2 294.424 1.688 20 30 CDEDLO C=CCCC(=O)NC[C@@H]1C[N@H+](Cc2cnsn2)C[C@H]1C ZINC001101805319 937014126 /nfs/dbraw/zinc/01/41/26/937014126.db2.gz MUUUWEVLOIZEIO-VXGBXAGGSA-N 1 2 294.424 1.688 20 30 CDEDLO C#Cc1cccc(C[NH+]2CC3(C2)COCC(=O)N3CC=C)c1 ZINC001273792249 925899167 /nfs/dbraw/zinc/89/91/67/925899167.db2.gz MOEYSKAVANYUNO-UHFFFAOYSA-N 1 2 296.370 1.267 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccnn1C1CCC1 ZINC001085600552 926202457 /nfs/dbraw/zinc/20/24/57/926202457.db2.gz WJTLNMSMYWLAQT-AWEZNQCLSA-N 1 2 286.379 1.388 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccnn1C1CCC1 ZINC001085600552 926202466 /nfs/dbraw/zinc/20/24/66/926202466.db2.gz WJTLNMSMYWLAQT-AWEZNQCLSA-N 1 2 286.379 1.388 20 30 CDEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CC(=O)NC)CC1 ZINC001085798476 926403585 /nfs/dbraw/zinc/40/35/85/926403585.db2.gz SIEQXMVSTOHTHC-AWEZNQCLSA-N 1 2 293.411 1.012 20 30 CDEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC(=O)NC)CC1 ZINC001085798476 926403593 /nfs/dbraw/zinc/40/35/93/926403593.db2.gz SIEQXMVSTOHTHC-AWEZNQCLSA-N 1 2 293.411 1.012 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nc(C)oc1C ZINC001085892520 926484870 /nfs/dbraw/zinc/48/48/70/926484870.db2.gz BJMYQEMYTFETFD-CYBMUJFWSA-N 1 2 275.352 1.461 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1nc(C)oc1C ZINC001085892520 926484877 /nfs/dbraw/zinc/48/48/77/926484877.db2.gz BJMYQEMYTFETFD-CYBMUJFWSA-N 1 2 275.352 1.461 20 30 CDEDLO C[C@H]1C[N@H+](Cc2c[nH]c3cc(C#N)ccc23)CC(=O)N1 ZINC001142911804 937091882 /nfs/dbraw/zinc/09/18/82/937091882.db2.gz KGJYPIRNQRVHTI-JTQLQIEISA-N 1 2 268.320 1.360 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)CC(=O)N1 ZINC001142911804 937091884 /nfs/dbraw/zinc/09/18/84/937091884.db2.gz KGJYPIRNQRVHTI-JTQLQIEISA-N 1 2 268.320 1.360 20 30 CDEDLO Cc1nc(NC[C@H](C)NC(=O)Cn2cc[nH+]c2)ccc1C#N ZINC001108430523 927567272 /nfs/dbraw/zinc/56/72/72/927567272.db2.gz 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/nfs/dbraw/zinc/13/13/65/931131365.db2.gz BZILCVFRNNTPJU-CZUORRHYSA-N 1 2 291.395 1.582 20 30 CDEDLO CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@@H+](CCC#N)CC2)C1=O ZINC001274030938 931131369 /nfs/dbraw/zinc/13/13/69/931131369.db2.gz BZILCVFRNNTPJU-CZUORRHYSA-N 1 2 291.395 1.582 20 30 CDEDLO CCOC(=O)c1cc2c[nH+]c(NCCCS)nc2[nH]1 ZINC001171001349 931231332 /nfs/dbraw/zinc/23/13/32/931231332.db2.gz ZVLDPUNLNGGJBM-UHFFFAOYSA-N 1 2 280.353 1.818 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cc(F)ccn2)C1=O ZINC001274584844 931511028 /nfs/dbraw/zinc/51/10/28/931511028.db2.gz JDDUYQGEANEINF-MRXNPFEDSA-N 1 2 287.338 1.421 20 30 CDEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)ccn2)C1=O ZINC001274584844 931511031 /nfs/dbraw/zinc/51/10/31/931511031.db2.gz JDDUYQGEANEINF-MRXNPFEDSA-N 1 2 287.338 1.421 20 30 CDEDLO CC(C)C[C@H](C#N)NC(=O)c1nc2c(s1)C[N@H+](C)CC2 ZINC001154224108 937519540 /nfs/dbraw/zinc/51/95/40/937519540.db2.gz OUWMVXRJTNJUSO-SNVBAGLBSA-N 1 2 292.408 1.799 20 30 CDEDLO CC(C)C[C@H](C#N)NC(=O)c1nc2c(s1)C[N@@H+](C)CC2 ZINC001154224108 937519543 /nfs/dbraw/zinc/51/95/43/937519543.db2.gz OUWMVXRJTNJUSO-SNVBAGLBSA-N 1 2 292.408 1.799 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C(C)(F)F ZINC001275757676 932003626 /nfs/dbraw/zinc/00/36/26/932003626.db2.gz HXVWMOZBGAWARM-QMMMGPOBSA-N 1 2 254.708 1.831 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C(C)(F)F ZINC001275757676 932003629 /nfs/dbraw/zinc/00/36/29/932003629.db2.gz HXVWMOZBGAWARM-QMMMGPOBSA-N 1 2 254.708 1.831 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ncnc(C)c2C)CC1 ZINC001147067875 932413841 /nfs/dbraw/zinc/41/38/41/932413841.db2.gz QMWNKFFPMWNZHW-UHFFFAOYSA-N 1 2 260.341 1.037 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC ZINC001110985470 933343956 /nfs/dbraw/zinc/34/39/56/933343956.db2.gz ZVMPEQMWDJLKMV-FOCJUVANSA-N 1 2 293.411 1.056 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC ZINC001110985470 933343965 /nfs/dbraw/zinc/34/39/65/933343965.db2.gz ZVMPEQMWDJLKMV-FOCJUVANSA-N 1 2 293.411 1.056 20 30 CDEDLO Cc1ncncc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC001238162838 945109397 /nfs/dbraw/zinc/10/93/97/945109397.db2.gz CPHXZCNXRQYFEU-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC1CCC1 ZINC001017449968 935639342 /nfs/dbraw/zinc/63/93/42/935639342.db2.gz AJCOQFMZDAGHKK-GASCZTMLSA-N 1 2 260.381 1.875 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC1CCC1 ZINC001017449968 935639344 /nfs/dbraw/zinc/63/93/44/935639344.db2.gz AJCOQFMZDAGHKK-GASCZTMLSA-N 1 2 260.381 1.875 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ncoc2C(C)(C)C)C1 ZINC001044161723 935852799 /nfs/dbraw/zinc/85/27/99/935852799.db2.gz QUKYRCMPKAORIG-UHFFFAOYSA-N 1 2 289.379 1.752 20 30 CDEDLO Cc1nc(N[C@@H](CNC(=O)[C@H](C)C#N)C2CC2)cc[nH+]1 ZINC001096598056 936190780 /nfs/dbraw/zinc/19/07/80/936190780.db2.gz JHIZGUCGPJUHDZ-SKDRFNHKSA-N 1 2 273.340 1.251 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnc(OC(C)C)c(C)c2)CC1 ZINC001238380521 945166312 /nfs/dbraw/zinc/16/63/12/945166312.db2.gz FMDYQZLIFLBKIN-UHFFFAOYSA-N 1 2 287.407 1.928 20 30 CDEDLO COc1cc2ccc(N3CC[NH2+]C[C@@H]3C#N)nc2cc1OC ZINC001156320146 938351127 /nfs/dbraw/zinc/35/11/27/938351127.db2.gz RYDTYKRFGYXWOZ-LBPRGKRZSA-N 1 2 298.346 1.554 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1nc(C2CC2)nc2[nH]ccc21 ZINC001156332283 938353142 /nfs/dbraw/zinc/35/31/42/938353142.db2.gz HNOUDIDBMHUPLH-JTQLQIEISA-N 1 2 268.324 1.137 20 30 CDEDLO CC[C@@H](C)c1nc2[nH]ccc2c(N2CC[NH2+]C[C@@H]2C#N)n1 ZINC001156333192 938353772 /nfs/dbraw/zinc/35/37/72/938353772.db2.gz WGQFKYJEHUQZOI-MNOVXSKESA-N 1 2 284.367 1.773 20 30 CDEDLO N#Cc1nccnc1N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001158622763 938642761 /nfs/dbraw/zinc/64/27/61/938642761.db2.gz DFSQYOBFGWKJER-LBPRGKRZSA-N 1 2 293.321 1.658 20 30 CDEDLO C[C@H](C#N)C(=O)NCCC1=CC[N@H+](Cc2ccon2)CC1 ZINC001159587160 938740214 /nfs/dbraw/zinc/74/02/14/938740214.db2.gz JRKYDSAKFDDVDN-GFCCVEGCSA-N 1 2 288.351 1.473 20 30 CDEDLO C[C@H](C#N)C(=O)NCCC1=CC[N@@H+](Cc2ccon2)CC1 ZINC001159587160 938740216 /nfs/dbraw/zinc/74/02/16/938740216.db2.gz JRKYDSAKFDDVDN-GFCCVEGCSA-N 1 2 288.351 1.473 20 30 CDEDLO COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1cc(CC#N)ccn1 ZINC001160695376 938815853 /nfs/dbraw/zinc/81/58/53/938815853.db2.gz DRCZZDZNJCWUKA-ZDUSSCGKSA-N 1 2 299.334 1.077 20 30 CDEDLO N#Cc1cc2cccnc2nc1N1CC(n2cc[nH+]c2)C1 ZINC001162723829 939128746 /nfs/dbraw/zinc/12/87/46/939128746.db2.gz ADHAFDAQQAEHIB-UHFFFAOYSA-N 1 2 276.303 1.759 20 30 CDEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001164213799 939431167 /nfs/dbraw/zinc/43/11/67/939431167.db2.gz NJBMMPMXTAMNON-NEPJUHHUSA-N 1 2 294.399 1.686 20 30 CDEDLO N#Cc1nc(N2CC[NH2+]CC(F)(F)C2)ccc1Cl ZINC001164488796 939478441 /nfs/dbraw/zinc/47/84/41/939478441.db2.gz LGCAZPPPZLAYOY-UHFFFAOYSA-N 1 2 272.686 1.652 20 30 CDEDLO N#CCc1cc[nH+]c(N2CCC3(CCCC(=O)N3)CC2)c1 ZINC001165905422 939584544 /nfs/dbraw/zinc/58/45/44/939584544.db2.gz YMWIIORAJXJZCP-UHFFFAOYSA-N 1 2 284.363 1.787 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)COC)C1 ZINC001206551197 940059939 /nfs/dbraw/zinc/05/99/39/940059939.db2.gz CVRQHXNTRFIDNL-JFGNBEQYSA-N 1 2 274.792 1.458 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)COC)C1 ZINC001206551197 940059942 /nfs/dbraw/zinc/05/99/42/940059942.db2.gz CVRQHXNTRFIDNL-JFGNBEQYSA-N 1 2 274.792 1.458 20 30 CDEDLO CC(=O)[C@H]1C[N@H+](CCCc2cccc(C#N)c2)CCO1 ZINC001208860888 940397064 /nfs/dbraw/zinc/39/70/64/940397064.db2.gz WKHOSOCXHJKAEZ-MRXNPFEDSA-N 1 2 272.348 1.781 20 30 CDEDLO CC(=O)[C@H]1C[N@@H+](CCCc2cccc(C#N)c2)CCO1 ZINC001208860888 940397067 /nfs/dbraw/zinc/39/70/67/940397067.db2.gz WKHOSOCXHJKAEZ-MRXNPFEDSA-N 1 2 272.348 1.781 20 30 CDEDLO C=CCN(CC[N@@H+]1CCO[C@H](C)C1)C(=O)OCC ZINC001209016027 940423525 /nfs/dbraw/zinc/42/35/25/940423525.db2.gz DHDYCVYTCLEXJZ-GFCCVEGCSA-N 1 2 256.346 1.352 20 30 CDEDLO C=CCN(CC[N@H+]1CCO[C@H](C)C1)C(=O)OCC ZINC001209016027 940423527 /nfs/dbraw/zinc/42/35/27/940423527.db2.gz DHDYCVYTCLEXJZ-GFCCVEGCSA-N 1 2 256.346 1.352 20 30 CDEDLO C=CCN(CC[N@@H+]1CC[C@@H](O)[C@@H](F)C1)C(=O)OCC ZINC001209016717 940423538 /nfs/dbraw/zinc/42/35/38/940423538.db2.gz DUUKASAJNYBPAI-NWDGAFQWSA-N 1 2 274.336 1.036 20 30 CDEDLO C=CCN(CC[N@H+]1CC[C@@H](O)[C@@H](F)C1)C(=O)OCC ZINC001209016717 940423540 /nfs/dbraw/zinc/42/35/40/940423540.db2.gz DUUKASAJNYBPAI-NWDGAFQWSA-N 1 2 274.336 1.036 20 30 CDEDLO C#Cc1ccc(-n2c(N)[nH+]cc2C(=O)OCC)cc1 ZINC001210113947 940663865 /nfs/dbraw/zinc/66/38/65/940663865.db2.gz YEDJMNKNCIPWCK-UHFFFAOYSA-N 1 2 255.277 1.613 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)CCC)[C@H](OC)C1 ZINC001213361850 940770938 /nfs/dbraw/zinc/77/09/38/940770938.db2.gz USHCVZRCFDTCJX-CHWSQXEVSA-N 1 2 266.385 1.261 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)CCC)[C@H](OC)C1 ZINC001213361850 940770941 /nfs/dbraw/zinc/77/09/41/940770941.db2.gz USHCVZRCFDTCJX-CHWSQXEVSA-N 1 2 266.385 1.261 20 30 CDEDLO C=CCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001215429630 940886198 /nfs/dbraw/zinc/88/61/98/940886198.db2.gz LCRPZKLKMMSULA-DGCLKSJQSA-N 1 2 292.383 1.671 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)CCCC)[C@H]2C1 ZINC001217770541 941018980 /nfs/dbraw/zinc/01/89/80/941018980.db2.gz MHTWJGLKRPUGMX-SOUVJXGZSA-N 1 2 278.396 1.358 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)CCCC)[C@H]2C1 ZINC001217770541 941018984 /nfs/dbraw/zinc/01/89/84/941018984.db2.gz MHTWJGLKRPUGMX-SOUVJXGZSA-N 1 2 278.396 1.358 20 30 CDEDLO C=C[C@@H]1O[C@H](OCc2c[nH+]cn2C)[C@H]2OC(C)(C)O[C@@H]12 ZINC001222600112 941619658 /nfs/dbraw/zinc/61/96/58/941619658.db2.gz JPRTUZYCHCSGDU-CYDGBPFRSA-N 1 2 280.324 1.368 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](OCCc2ccc(C#N)cc2)C[N@@H+]1C ZINC001224656001 941780289 /nfs/dbraw/zinc/78/02/89/941780289.db2.gz RBYBDEUOHFFRGM-CABCVRRESA-N 1 2 288.347 1.363 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](OCCc2ccc(C#N)cc2)C[N@H+]1C ZINC001224656001 941780290 /nfs/dbraw/zinc/78/02/90/941780290.db2.gz RBYBDEUOHFFRGM-CABCVRRESA-N 1 2 288.347 1.363 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cnc(Cl)nc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225376032 941851665 /nfs/dbraw/zinc/85/16/65/941851665.db2.gz VXWYZEMOJDDBJW-FRQULTQSSA-N 1 2 267.716 1.121 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cnc(Cl)nc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225376032 941851671 /nfs/dbraw/zinc/85/16/71/941851671.db2.gz VXWYZEMOJDDBJW-FRQULTQSSA-N 1 2 267.716 1.121 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Oc1ccc(F)c(C#N)c1 ZINC001225820052 941916705 /nfs/dbraw/zinc/91/67/05/941916705.db2.gz KCCMHTJHFNXLAO-LLVKDONJSA-N 1 2 264.300 1.797 20 30 CDEDLO Cc1[nH]c2ccc(OC3CN(CCC#N)C3)cc2[nH+]1 ZINC001228328448 942299449 /nfs/dbraw/zinc/29/94/49/942299449.db2.gz FLKMSJQJDBAEDD-UHFFFAOYSA-N 1 2 256.309 1.848 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2cc(C#N)ccc2Cl)C1 ZINC001229250068 942440068 /nfs/dbraw/zinc/44/00/68/942440068.db2.gz DXUFMQDKRBSVJG-NSHDSACASA-N 1 2 266.728 1.921 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2cc(C#N)ccc2Cl)C1 ZINC001229250068 942440075 /nfs/dbraw/zinc/44/00/75/942440075.db2.gz DXUFMQDKRBSVJG-NSHDSACASA-N 1 2 266.728 1.921 20 30 CDEDLO CC(=O)NC1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232673722 943354930 /nfs/dbraw/zinc/35/49/30/943354930.db2.gz LVYUUYGZOJESBT-UHFFFAOYSA-N 1 2 273.336 1.364 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)c1 ZINC001232675999 943357240 /nfs/dbraw/zinc/35/72/40/943357240.db2.gz XLPOVIKGELNTKG-JGGQBBKZSA-N 1 2 288.347 1.236 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)c1 ZINC001232675999 943357246 /nfs/dbraw/zinc/35/72/46/943357246.db2.gz XLPOVIKGELNTKG-JGGQBBKZSA-N 1 2 288.347 1.236 20 30 CDEDLO COc1ccnc(O[C@@H]2CC[N@H+](Cc3[nH]ccc3C#N)C2)c1 ZINC001233048363 943476375 /nfs/dbraw/zinc/47/63/75/943476375.db2.gz CTIAPJOCTDAVSI-CQSZACIVSA-N 1 2 298.346 1.943 20 30 CDEDLO COc1ccnc(O[C@@H]2CC[N@@H+](Cc3[nH]ccc3C#N)C2)c1 ZINC001233048363 943476379 /nfs/dbraw/zinc/47/63/79/943476379.db2.gz CTIAPJOCTDAVSI-CQSZACIVSA-N 1 2 298.346 1.943 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(OC)c(O)c2Cl)CC1 ZINC001233400846 943578490 /nfs/dbraw/zinc/57/84/90/943578490.db2.gz AJKGMTBDHBYBAK-UHFFFAOYSA-N 1 2 294.782 1.805 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc[nH]c1C ZINC001233529086 943609282 /nfs/dbraw/zinc/60/92/82/943609282.db2.gz FTABLFZCTBXCHH-AWEZNQCLSA-N 1 2 289.379 1.119 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc[nH]c1C ZINC001233529086 943609286 /nfs/dbraw/zinc/60/92/86/943609286.db2.gz FTABLFZCTBXCHH-AWEZNQCLSA-N 1 2 289.379 1.119 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(F)=C1CCCC1 ZINC001233622516 943626689 /nfs/dbraw/zinc/62/66/89/943626689.db2.gz LODIWQPTCDBIQB-ZDUSSCGKSA-N 1 2 264.344 1.950 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(F)=C1CCCC1 ZINC001233622516 943626693 /nfs/dbraw/zinc/62/66/93/943626693.db2.gz LODIWQPTCDBIQB-ZDUSSCGKSA-N 1 2 264.344 1.950 20 30 CDEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cncs1 ZINC001234160880 943761433 /nfs/dbraw/zinc/76/14/33/943761433.db2.gz KBDVICIYQQEWHN-CYBMUJFWSA-N 1 2 291.420 1.835 20 30 CDEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cncs1 ZINC001234160880 943761436 /nfs/dbraw/zinc/76/14/36/943761436.db2.gz KBDVICIYQQEWHN-CYBMUJFWSA-N 1 2 291.420 1.835 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cncn1C ZINC001234593198 943906733 /nfs/dbraw/zinc/90/67/33/943906733.db2.gz GJAABOIJRMJRHE-CQSZACIVSA-N 1 2 290.411 1.809 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cncn1C ZINC001234593198 943906736 /nfs/dbraw/zinc/90/67/36/943906736.db2.gz GJAABOIJRMJRHE-CQSZACIVSA-N 1 2 290.411 1.809 20 30 CDEDLO Cc1cc(C[NH+]2CC3(C2)CCCN(CCC#N)C3)n(C)n1 ZINC001277938819 944130223 /nfs/dbraw/zinc/13/02/23/944130223.db2.gz FVEQYQDTQHAQSL-UHFFFAOYSA-N 1 2 287.411 1.540 20 30 CDEDLO Cc1cc(CN2CC3(C2)CCC[N@H+](CCC#N)C3)n(C)n1 ZINC001277938819 944130224 /nfs/dbraw/zinc/13/02/24/944130224.db2.gz FVEQYQDTQHAQSL-UHFFFAOYSA-N 1 2 287.411 1.540 20 30 CDEDLO Cc1cc(CN2CC3(C2)CCC[N@@H+](CCC#N)C3)n(C)n1 ZINC001277938819 944130226 /nfs/dbraw/zinc/13/02/26/944130226.db2.gz FVEQYQDTQHAQSL-UHFFFAOYSA-N 1 2 287.411 1.540 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1nnc(C)n1CC ZINC001235481333 944169452 /nfs/dbraw/zinc/16/94/52/944169452.db2.gz YAFPQXAOZGUULB-UHFFFAOYSA-N 1 2 293.415 1.511 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1nnc(C)n1CC ZINC001235481333 944169455 /nfs/dbraw/zinc/16/94/55/944169455.db2.gz YAFPQXAOZGUULB-UHFFFAOYSA-N 1 2 293.415 1.511 20 30 CDEDLO C[C@H]1C[N@H+](Cc2c(F)cc(C#N)cc2F)C[C@H]1O ZINC001235651469 944232310 /nfs/dbraw/zinc/23/23/10/944232310.db2.gz NDSURKRFMYVXFD-ISVAXAHUSA-N 1 2 252.264 1.649 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2c(F)cc(C#N)cc2F)C[C@H]1O ZINC001235651469 944232315 /nfs/dbraw/zinc/23/23/15/944232315.db2.gz NDSURKRFMYVXFD-ISVAXAHUSA-N 1 2 252.264 1.649 20 30 CDEDLO CC(C)C#CC(=O)N[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001265280569 944317412 /nfs/dbraw/zinc/31/74/12/944317412.db2.gz DHWIIQUQVVIJLT-HNNXBMFYSA-N 1 2 289.354 1.571 20 30 CDEDLO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001265280569 944317416 /nfs/dbraw/zinc/31/74/16/944317416.db2.gz DHWIIQUQVVIJLT-HNNXBMFYSA-N 1 2 289.354 1.571 20 30 CDEDLO COc1cc(C[NH+]2CCC(C#N)CC2)cc(OC)n1 ZINC001237553582 944840303 /nfs/dbraw/zinc/84/03/03/944840303.db2.gz SGAASGRRTYEHJP-UHFFFAOYSA-N 1 2 261.325 1.834 20 30 CDEDLO CCOC(=O)CN(CCC#N)Cc1c[nH+]cn1CC ZINC001237595969 944863481 /nfs/dbraw/zinc/86/34/81/944863481.db2.gz RCRWEUJJUDNOSZ-UHFFFAOYSA-N 1 2 264.329 1.182 20 30 CDEDLO Cn1c[nH+]cc1NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259412495 945570754 /nfs/dbraw/zinc/57/07/54/945570754.db2.gz KXNMTFDXFVQSDK-UHFFFAOYSA-N 1 2 280.284 1.232 20 30 CDEDLO COc1nc(C)nc(-c2ccn3cc[nH+]c3c2)c1C#N ZINC001240496206 945889776 /nfs/dbraw/zinc/88/97/76/945889776.db2.gz HZMXZNNGFCRQMO-UHFFFAOYSA-N 1 2 265.276 1.980 20 30 CDEDLO COC(=O)c1c[nH]c2nc(-c3ccc(C#N)nc3)[nH+]cc21 ZINC001241421656 946256878 /nfs/dbraw/zinc/25/68/78/946256878.db2.gz SKFURZYYVKWQHC-UHFFFAOYSA-N 1 2 279.259 1.630 20 30 CDEDLO N#Cc1ccc2c(c1)CC[N@@H+](C1CCS(=O)(=O)CC1)C2 ZINC001256386974 948298987 /nfs/dbraw/zinc/29/89/87/948298987.db2.gz PSPJMNKYUQJJEG-UHFFFAOYSA-N 1 2 290.388 1.494 20 30 CDEDLO N#Cc1ccc2c(c1)CC[N@H+](C1CCS(=O)(=O)CC1)C2 ZINC001256386974 948298993 /nfs/dbraw/zinc/29/89/93/948298993.db2.gz PSPJMNKYUQJJEG-UHFFFAOYSA-N 1 2 290.388 1.494 20 30 CDEDLO N#C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(F)cc2F)C1 ZINC001250856278 950433740 /nfs/dbraw/zinc/43/37/40/950433740.db2.gz FUGJZZICRJTPDE-ZYHUDNBSSA-N 1 2 282.290 1.550 20 30 CDEDLO N#C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(F)cc2F)C1 ZINC001250856278 950433757 /nfs/dbraw/zinc/43/37/57/950433757.db2.gz FUGJZZICRJTPDE-ZYHUDNBSSA-N 1 2 282.290 1.550 20 30 CDEDLO C#CCOC[C@H](O)CNc1cc2ccccc2c[nH+]1 ZINC001251826800 950851284 /nfs/dbraw/zinc/85/12/84/950851284.db2.gz UOFNAJZMLCOSEK-CQSZACIVSA-N 1 2 256.305 1.657 20 30 CDEDLO C=CCOC[C@@H](O)C[N@@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001252460030 951305245 /nfs/dbraw/zinc/30/52/45/951305245.db2.gz ACEDYPGVWNUJRK-UWVGGRQHSA-N 1 2 253.264 1.229 20 30 CDEDLO C=CCOC[C@@H](O)C[N@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001252460030 951305256 /nfs/dbraw/zinc/30/52/56/951305256.db2.gz ACEDYPGVWNUJRK-UWVGGRQHSA-N 1 2 253.264 1.229 20 30 CDEDLO C=C[C@](C)(O)C[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001252562740 951457994 /nfs/dbraw/zinc/45/79/94/951457994.db2.gz XLEULFMWKUEALN-HNNXBMFYSA-N 1 2 258.321 1.558 20 30 CDEDLO COc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC001252716451 951609561 /nfs/dbraw/zinc/60/95/61/951609561.db2.gz MJZFLZDZIRROBG-KGLIPLIRSA-N 1 2 290.363 1.670 20 30 CDEDLO COc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC001252716451 951609566 /nfs/dbraw/zinc/60/95/66/951609566.db2.gz MJZFLZDZIRROBG-KGLIPLIRSA-N 1 2 290.363 1.670 20 30 CDEDLO CC(C)n1ccc(C[N@H+](C)CCN(C)C(=O)[C@H](C)C#N)n1 ZINC001422152985 955789819 /nfs/dbraw/zinc/78/98/19/955789819.db2.gz QLGMWFMYSWAJSX-CYBMUJFWSA-N 1 2 291.399 1.514 20 30 CDEDLO CC(C)n1ccc(C[N@@H+](C)CCN(C)C(=O)[C@H](C)C#N)n1 ZINC001422152985 955789828 /nfs/dbraw/zinc/78/98/28/955789828.db2.gz QLGMWFMYSWAJSX-CYBMUJFWSA-N 1 2 291.399 1.514 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnc(OC)nc1 ZINC001422893214 956435166 /nfs/dbraw/zinc/43/51/66/956435166.db2.gz BGVJYBURQOXRGQ-SNVBAGLBSA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cnc(OC)nc1 ZINC001422893214 956435175 /nfs/dbraw/zinc/43/51/75/956435175.db2.gz BGVJYBURQOXRGQ-SNVBAGLBSA-N 1 2 298.774 1.288 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cn2cccnc2n1 ZINC001366549190 956949598 /nfs/dbraw/zinc/94/95/98/956949598.db2.gz KHKQTYXTBFHZOA-UHFFFAOYSA-N 1 2 293.758 1.143 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cn2cccnc2n1 ZINC001366549190 956949606 /nfs/dbraw/zinc/94/96/06/956949606.db2.gz KHKQTYXTBFHZOA-UHFFFAOYSA-N 1 2 293.758 1.143 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cccc2[nH]cnc21 ZINC001366574409 956985934 /nfs/dbraw/zinc/98/59/34/956985934.db2.gz MWPNOUOANOBDQD-UHFFFAOYSA-N 1 2 292.770 1.977 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cccc2[nH]cnc21 ZINC001366574409 956985947 /nfs/dbraw/zinc/98/59/47/956985947.db2.gz MWPNOUOANOBDQD-UHFFFAOYSA-N 1 2 292.770 1.977 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CCc1cnccn1 ZINC001366634781 957063628 /nfs/dbraw/zinc/06/36/28/957063628.db2.gz NNNRVYOMELLXQD-UHFFFAOYSA-N 1 2 296.802 1.600 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CCc1cnccn1 ZINC001366634781 957063640 /nfs/dbraw/zinc/06/36/40/957063640.db2.gz NNNRVYOMELLXQD-UHFFFAOYSA-N 1 2 296.802 1.600 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)COC(C)C)C1 ZINC001369801304 959871933 /nfs/dbraw/zinc/87/19/33/959871933.db2.gz VNMSFHYVFYDKSU-LBPRGKRZSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)COC(C)C)C1 ZINC001369801304 959871940 /nfs/dbraw/zinc/87/19/40/959871940.db2.gz VNMSFHYVFYDKSU-LBPRGKRZSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnn(C)c1Cl ZINC001420253527 962630617 /nfs/dbraw/zinc/63/06/17/962630617.db2.gz RIYMSIBSKSCJDM-UHFFFAOYSA-N 1 2 291.182 1.488 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnn(C)c1Cl ZINC001420253527 962630630 /nfs/dbraw/zinc/63/06/30/962630630.db2.gz RIYMSIBSKSCJDM-UHFFFAOYSA-N 1 2 291.182 1.488 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCn1cccn1 ZINC001437429681 962882293 /nfs/dbraw/zinc/88/22/93/962882293.db2.gz DIVWHVQIKOLBDE-UHFFFAOYSA-N 1 2 270.764 1.074 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCn1cccn1 ZINC001437429681 962882302 /nfs/dbraw/zinc/88/23/02/962882302.db2.gz DIVWHVQIKOLBDE-UHFFFAOYSA-N 1 2 270.764 1.074 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCc1cn[nH]c1 ZINC001437529573 962991548 /nfs/dbraw/zinc/99/15/48/962991548.db2.gz FMAJNBGZKWCFEO-UHFFFAOYSA-N 1 2 270.764 1.143 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCc1cn[nH]c1 ZINC001437529573 962991558 /nfs/dbraw/zinc/99/15/58/962991558.db2.gz FMAJNBGZKWCFEO-UHFFFAOYSA-N 1 2 270.764 1.143 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)C[C@@H]1CCCO1)C1CC1 ZINC001437780288 963177353 /nfs/dbraw/zinc/17/73/53/963177353.db2.gz OQIMIEDGYREBGN-ZDUSSCGKSA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)C[C@@H]1CCCO1)C1CC1 ZINC001437780288 963177359 /nfs/dbraw/zinc/17/73/59/963177359.db2.gz OQIMIEDGYREBGN-ZDUSSCGKSA-N 1 2 286.803 1.889 20 30 CDEDLO CCC(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001438102817 963320491 /nfs/dbraw/zinc/32/04/91/963320491.db2.gz BDENHVGRCNVNJH-UHFFFAOYSA-N 1 2 275.327 1.655 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)Cc2cc[nH]n2)C1 ZINC001438267730 963390867 /nfs/dbraw/zinc/39/08/67/963390867.db2.gz PHLNRNFBWJQCMN-CYBMUJFWSA-N 1 2 296.802 1.628 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2cc[nH]n2)C1 ZINC001438267730 963390874 /nfs/dbraw/zinc/39/08/74/963390874.db2.gz PHLNRNFBWJQCMN-CYBMUJFWSA-N 1 2 296.802 1.628 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(C)co2)C1 ZINC001421392937 963589400 /nfs/dbraw/zinc/58/94/00/963589400.db2.gz YYWWMGVDKVXDJU-CQSZACIVSA-N 1 2 298.770 1.507 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(C)co2)C1 ZINC001421392937 963589402 /nfs/dbraw/zinc/58/94/02/963589402.db2.gz YYWWMGVDKVXDJU-CQSZACIVSA-N 1 2 298.770 1.507 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnn(C)c1CC ZINC001439342481 963729148 /nfs/dbraw/zinc/72/91/48/963729148.db2.gz DJOHVDKYNWBXLW-LLVKDONJSA-N 1 2 298.818 1.785 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cnn(C)c1CC ZINC001439342481 963729155 /nfs/dbraw/zinc/72/91/55/963729155.db2.gz DJOHVDKYNWBXLW-LLVKDONJSA-N 1 2 298.818 1.785 20 30 CDEDLO C#CC1CCN(c2nnnn2Cc2cc(C)[nH+]c(C)c2)CC1 ZINC001344537921 964346680 /nfs/dbraw/zinc/34/66/80/964346680.db2.gz WYPMFPKFCIKMEH-UHFFFAOYSA-N 1 2 296.378 1.583 20 30 CDEDLO N#Cc1ccc2c(c1)CCN2C(=O)Cc1c[nH]c[nH+]1 ZINC001556984990 965129305 /nfs/dbraw/zinc/12/93/05/965129305.db2.gz HFBISMNGMIPUJJ-UHFFFAOYSA-N 1 2 252.277 1.413 20 30 CDEDLO Cc1cccn2cc(CCNc3cc(C#N)cnn3)[nH+]c12 ZINC001559124125 965404327 /nfs/dbraw/zinc/40/43/27/965404327.db2.gz FDAKNTRVBHLAGV-UHFFFAOYSA-N 1 2 278.319 1.959 20 30 CDEDLO C=C(CC(C)C)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC001347570376 965602181 /nfs/dbraw/zinc/60/21/81/965602181.db2.gz ARSPQHVVFFJRMU-CABCVRRESA-N 1 2 280.412 1.910 20 30 CDEDLO N#Cc1ccc(C(F)(F)F)n(Cc2cc[nH+]c(N)c2)c1=O ZINC001413917856 966524778 /nfs/dbraw/zinc/52/47/78/966524778.db2.gz HCKNTSJYSXQWOI-UHFFFAOYSA-N 1 2 294.236 1.764 20 30 CDEDLO C=CCNC(=S)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001200294014 967864282 /nfs/dbraw/zinc/86/42/82/967864282.db2.gz RXLFKIADNWYRGD-UHFFFAOYSA-N 1 2 291.420 1.991 20 30 CDEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC001361865827 970621455 /nfs/dbraw/zinc/62/14/55/970621455.db2.gz BAIVTQXMDMWOPD-UONOGXRCSA-N 1 2 280.331 1.744 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(OCC)no1 ZINC001372043001 972762539 /nfs/dbraw/zinc/76/25/39/972762539.db2.gz FVEPEDMKSXASCD-UHFFFAOYSA-N 1 2 287.747 1.487 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(OCC)no1 ZINC001372043001 972762548 /nfs/dbraw/zinc/76/25/48/972762548.db2.gz FVEPEDMKSXASCD-UHFFFAOYSA-N 1 2 287.747 1.487 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1cnn(CC)c1 ZINC001496817709 973108622 /nfs/dbraw/zinc/10/86/22/973108622.db2.gz FQWNZJXVYMXEAP-UHFFFAOYSA-N 1 2 298.818 1.588 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1cnn(CC)c1 ZINC001496817709 973108630 /nfs/dbraw/zinc/10/86/30/973108630.db2.gz FQWNZJXVYMXEAP-UHFFFAOYSA-N 1 2 298.818 1.588 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccn(C(C)C)n1 ZINC001377229013 974935979 /nfs/dbraw/zinc/93/59/79/974935979.db2.gz CKSSKUJJLDVATC-UHFFFAOYSA-N 1 2 284.791 1.878 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccn(C(C)C)n1 ZINC001377229013 974935982 /nfs/dbraw/zinc/93/59/82/974935982.db2.gz CKSSKUJJLDVATC-UHFFFAOYSA-N 1 2 284.791 1.878 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1CCOC1)C1CC1 ZINC001377522640 975063167 /nfs/dbraw/zinc/06/31/67/975063167.db2.gz XEJOXOBFOISEOG-LLVKDONJSA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1CCOC1)C1CC1 ZINC001377522640 975063172 /nfs/dbraw/zinc/06/31/72/975063172.db2.gz XEJOXOBFOISEOG-LLVKDONJSA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCc2ccccn2)C1 ZINC001377988687 975195198 /nfs/dbraw/zinc/19/51/98/975195198.db2.gz QUECIJPKGFVOEN-UHFFFAOYSA-N 1 2 293.798 1.815 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1ncc[nH]1 ZINC001378164055 975266391 /nfs/dbraw/zinc/26/63/91/975266391.db2.gz NVMSRNCFKSWXNT-JTQLQIEISA-N 1 2 270.764 1.141 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1ncc[nH]1 ZINC001378164055 975266398 /nfs/dbraw/zinc/26/63/98/975266398.db2.gz NVMSRNCFKSWXNT-JTQLQIEISA-N 1 2 270.764 1.141 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cn2cccn2)C1 ZINC001378486071 975362468 /nfs/dbraw/zinc/36/24/68/975362468.db2.gz YIFPLOFIWGULSX-LLVKDONJSA-N 1 2 282.775 1.072 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1nccn1CC ZINC001401362451 975616153 /nfs/dbraw/zinc/61/61/53/975616153.db2.gz QNIPBUTYPGYUJL-UHFFFAOYSA-N 1 2 284.791 1.659 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1nccn1CC ZINC001401362451 975616154 /nfs/dbraw/zinc/61/61/54/975616154.db2.gz QNIPBUTYPGYUJL-UHFFFAOYSA-N 1 2 284.791 1.659 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@](C)(O)C1CC1 ZINC001401363053 975617589 /nfs/dbraw/zinc/61/75/89/975617589.db2.gz NOIQONPNFGPKOC-AWEZNQCLSA-N 1 2 288.819 1.680 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@](C)(O)C1CC1 ZINC001401363053 975617597 /nfs/dbraw/zinc/61/75/97/975617597.db2.gz NOIQONPNFGPKOC-AWEZNQCLSA-N 1 2 288.819 1.680 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1nc(C)c[nH]1 ZINC001379113724 975672811 /nfs/dbraw/zinc/67/28/11/975672811.db2.gz VOQNKZIPEYVQRO-UHFFFAOYSA-N 1 2 270.764 1.474 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1nc(C)c[nH]1 ZINC001379113724 975672819 /nfs/dbraw/zinc/67/28/19/975672819.db2.gz VOQNKZIPEYVQRO-UHFFFAOYSA-N 1 2 270.764 1.474 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)CCOC ZINC001402716955 976447370 /nfs/dbraw/zinc/44/73/70/976447370.db2.gz KQJNOXRYEWXWCU-LBPRGKRZSA-N 1 2 274.792 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)CCOC ZINC001402716955 976447377 /nfs/dbraw/zinc/44/73/77/976447377.db2.gz KQJNOXRYEWXWCU-LBPRGKRZSA-N 1 2 274.792 1.746 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccc2[nH]ccc2n1 ZINC001390787775 976509222 /nfs/dbraw/zinc/50/92/22/976509222.db2.gz UDUNQFYSMSMLKJ-UHFFFAOYSA-N 1 2 292.770 1.977 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccc2[nH]ccc2n1 ZINC001390787775 976509229 /nfs/dbraw/zinc/50/92/29/976509229.db2.gz UDUNQFYSMSMLKJ-UHFFFAOYSA-N 1 2 292.770 1.977 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cnn2c1CCC2 ZINC001403132374 976750871 /nfs/dbraw/zinc/75/08/71/976750871.db2.gz KHHYIKLITMZNSX-LLVKDONJSA-N 1 2 296.802 1.632 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cnn2c1CCC2 ZINC001403132374 976750878 /nfs/dbraw/zinc/75/08/78/976750878.db2.gz KHHYIKLITMZNSX-LLVKDONJSA-N 1 2 296.802 1.632 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1c(C)nn(C)c1C ZINC001403895418 977247867 /nfs/dbraw/zinc/24/78/67/977247867.db2.gz WUIWRLFZTCMPPC-UHFFFAOYSA-N 1 2 298.818 1.841 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1c(C)nn(C)c1C ZINC001403895418 977247876 /nfs/dbraw/zinc/24/78/76/977247876.db2.gz WUIWRLFZTCMPPC-UHFFFAOYSA-N 1 2 298.818 1.841 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cnc(C)n1C ZINC001392697835 977556007 /nfs/dbraw/zinc/55/60/07/977556007.db2.gz ZFICYIUMMVAGLX-JTQLQIEISA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cnc(C)n1C ZINC001392697835 977556011 /nfs/dbraw/zinc/55/60/11/977556011.db2.gz ZFICYIUMMVAGLX-JTQLQIEISA-N 1 2 284.791 1.531 20 30 CDEDLO C=C[C@@H](C(=O)[O-])[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC001588662516 983789834 /nfs/dbraw/zinc/78/98/34/983789834.db2.gz AYNOBPCXFNAAGP-ZDUSSCGKSA-N 1 2 282.384 1.202 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nnc(C(C)C)o1 ZINC001132565621 1163374165 /nfs/dbraw/zinc/37/41/65/1163374165.db2.gz XIBKRLVXMLNYIH-RYUDHWBXSA-N 1 2 294.399 1.857 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1csnn1 ZINC001132569029 1163376912 /nfs/dbraw/zinc/37/69/12/1163376912.db2.gz JTMLLLJBGLTTNR-VHSXEESVSA-N 1 2 268.386 1.202 20 30 CDEDLO C=CCC1(C(=O)NCC[NH2+]Cc2nccc(C)n2)CCC1 ZINC001133392174 1163670725 /nfs/dbraw/zinc/67/07/25/1163670725.db2.gz KLPWXOWONTYKTE-UHFFFAOYSA-N 1 2 288.395 1.737 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc(O)cc(C#N)c2)C1 ZINC000589195087 342499518 /nfs/dbraw/zinc/49/95/18/342499518.db2.gz IESFAVKAMLTLTL-LBPRGKRZSA-N 1 2 296.330 1.627 20 30 CDEDLO Cc1nccc(C[NH+]2CCN(c3cnccc3C#N)CC2)n1 ZINC000590013582 342520159 /nfs/dbraw/zinc/52/01/59/342520159.db2.gz HLROTDJVLXXCAS-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)c1cc(O)cc(C#N)c1 ZINC000590469527 342556496 /nfs/dbraw/zinc/55/64/96/342556496.db2.gz LLYQYINITKVQJU-UHFFFAOYSA-N 1 2 283.287 1.597 20 30 CDEDLO N#CC1CN(C(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000590486280 342564255 /nfs/dbraw/zinc/56/42/55/342564255.db2.gz AARAEDHFKXXMJJ-UHFFFAOYSA-N 1 2 285.347 1.114 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000045784595 342044654 /nfs/dbraw/zinc/04/46/54/342044654.db2.gz GJSGNGBDYNGFFS-OLZOCXBDSA-N 1 2 252.358 1.296 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000045784595 342044655 /nfs/dbraw/zinc/04/46/55/342044655.db2.gz GJSGNGBDYNGFFS-OLZOCXBDSA-N 1 2 252.358 1.296 20 30 CDEDLO N#CC1(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)CCCCC1 ZINC000608783411 342040927 /nfs/dbraw/zinc/04/09/27/342040927.db2.gz ZYBCABJTYCZXOZ-UHFFFAOYSA-N 1 2 296.334 1.619 20 30 CDEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(C)c(C#N)c2)CCO1 ZINC000599283851 343991281 /nfs/dbraw/zinc/99/12/81/343991281.db2.gz FQXSXFCLCZRYOL-CQSZACIVSA-N 1 2 274.320 1.241 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C)c(C#N)c2)CCO1 ZINC000599283851 343991282 /nfs/dbraw/zinc/99/12/82/343991282.db2.gz FQXSXFCLCZRYOL-CQSZACIVSA-N 1 2 274.320 1.241 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000591796625 342645535 /nfs/dbraw/zinc/64/55/35/342645535.db2.gz RKWDDWHZUDDADX-QJPTWQEYSA-N 1 2 258.325 1.254 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1[N+](=O)[O-] ZINC000592146583 342673527 /nfs/dbraw/zinc/67/35/27/342673527.db2.gz JMZCEMPBOBNEPV-AWEZNQCLSA-N 1 2 291.307 1.454 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@@](O)(CC#N)C2)cc1[N+](=O)[O-] ZINC000592146583 342673529 /nfs/dbraw/zinc/67/35/29/342673529.db2.gz JMZCEMPBOBNEPV-AWEZNQCLSA-N 1 2 291.307 1.454 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2noc3c2CCCC3)C1 ZINC000592152583 342669428 /nfs/dbraw/zinc/66/94/28/342669428.db2.gz YGQFJMCAXHWHQQ-AWEZNQCLSA-N 1 2 261.325 1.404 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC000592152583 342669429 /nfs/dbraw/zinc/66/94/29/342669429.db2.gz YGQFJMCAXHWHQQ-AWEZNQCLSA-N 1 2 261.325 1.404 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000592154879 342670102 /nfs/dbraw/zinc/67/01/02/342670102.db2.gz VKEHJZMYVAEZLB-CYBMUJFWSA-N 1 2 277.280 1.151 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000592154879 342670103 /nfs/dbraw/zinc/67/01/03/342670103.db2.gz VKEHJZMYVAEZLB-CYBMUJFWSA-N 1 2 277.280 1.151 20 30 CDEDLO COC(=O)c1coc(C[NH+]2CCC(CCC#N)CC2)n1 ZINC000592135943 342672232 /nfs/dbraw/zinc/67/22/32/342672232.db2.gz HIZCTPIENULAFY-UHFFFAOYSA-N 1 2 277.324 1.977 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000592522743 342702353 /nfs/dbraw/zinc/70/23/53/342702353.db2.gz QVSRHTWOBCEHQO-JSGCOSHPSA-N 1 2 293.392 1.845 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000592522743 342702354 /nfs/dbraw/zinc/70/23/54/342702354.db2.gz QVSRHTWOBCEHQO-JSGCOSHPSA-N 1 2 293.392 1.845 20 30 CDEDLO C[C@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccncc1 ZINC000593154363 342774288 /nfs/dbraw/zinc/77/42/88/342774288.db2.gz JQJJZCWPGVBOQV-IUODEOHRSA-N 1 2 274.368 1.535 20 30 CDEDLO Cc1nnc([C@@H](C)[NH2+]Cc2cccc(C#N)n2)s1 ZINC000602614652 342184610 /nfs/dbraw/zinc/18/46/10/342184610.db2.gz UIOPWQNQFFYRRW-MRVPVSSYSA-N 1 2 259.338 1.964 20 30 CDEDLO CC[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000593390245 342793702 /nfs/dbraw/zinc/79/37/02/342793702.db2.gz COMXPCRKDYAUAT-AWEZNQCLSA-N 1 2 272.352 1.276 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)NCc1cccc(C#N)c1 ZINC000137231996 361905639 /nfs/dbraw/zinc/90/56/39/361905639.db2.gz QFGDDPTYNRCTSG-UHFFFAOYSA-N 1 2 297.362 1.986 20 30 CDEDLO COc1cc(F)c(C[N@@H+]2CC[C@](O)(CC#N)C2)cc1OC ZINC000593635381 342817349 /nfs/dbraw/zinc/81/73/49/342817349.db2.gz DCSMDMPKIAJMRG-OAHLLOKOSA-N 1 2 294.326 1.693 20 30 CDEDLO COc1cc(F)c(C[N@H+]2CC[C@](O)(CC#N)C2)cc1OC ZINC000593635381 342817350 /nfs/dbraw/zinc/81/73/50/342817350.db2.gz DCSMDMPKIAJMRG-OAHLLOKOSA-N 1 2 294.326 1.693 20 30 CDEDLO N#Cc1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)nc1N ZINC000594548885 342916262 /nfs/dbraw/zinc/91/62/62/342916262.db2.gz UMMRCQGFFOQNBP-LBPRGKRZSA-N 1 2 268.324 1.573 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccccc3)C2=O)C1 ZINC000594659321 342936096 /nfs/dbraw/zinc/93/60/96/342936096.db2.gz CMKUBXQZUQSTQB-ZFWWWQNUSA-N 1 2 297.358 1.944 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccccc3)C2=O)C1 ZINC000594659321 342936097 /nfs/dbraw/zinc/93/60/97/342936097.db2.gz CMKUBXQZUQSTQB-ZFWWWQNUSA-N 1 2 297.358 1.944 20 30 CDEDLO N#Cc1cccc(/C=C\C(=O)NCCn2cc[nH+]c2)c1 ZINC000075511655 342311389 /nfs/dbraw/zinc/31/13/89/342311389.db2.gz LQSKTZXNCXOYTP-PLNGDYQASA-N 1 2 266.304 1.584 20 30 CDEDLO N#Cc1ccccc1CN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000075889802 342315787 /nfs/dbraw/zinc/31/57/87/342315787.db2.gz ZIBQVXYKLPREJH-QGZVFWFLSA-N 1 2 285.391 1.855 20 30 CDEDLO CCC(CC)[C@@H](C(=O)N(CC)CC#N)[NH+]1CCOCC1 ZINC000344182613 282220055 /nfs/dbraw/zinc/22/00/55/282220055.db2.gz CPUGVCZZVZRKCQ-AWEZNQCLSA-N 1 2 281.400 1.495 20 30 CDEDLO N#Cc1ccc(CC[N@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000595497085 343077443 /nfs/dbraw/zinc/07/74/43/343077443.db2.gz MFGZOQGAJCEKRB-AWEZNQCLSA-N 1 2 297.362 1.804 20 30 CDEDLO Cc1ccc(C#N)nc1NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000596102745 343227655 /nfs/dbraw/zinc/22/76/55/343227655.db2.gz XHLUIHOSSOOTJC-LBPRGKRZSA-N 1 2 260.341 1.394 20 30 CDEDLO Cc1ccc(C#N)nc1NCC[N@H+]1CCO[C@@H](C)C1 ZINC000596102745 343227658 /nfs/dbraw/zinc/22/76/58/343227658.db2.gz XHLUIHOSSOOTJC-LBPRGKRZSA-N 1 2 260.341 1.394 20 30 CDEDLO CCc1nc(C#N)cc(N(C)[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000596214104 343268195 /nfs/dbraw/zinc/26/81/95/343268195.db2.gz DULFAHCQSSWRCZ-LBPRGKRZSA-N 1 2 289.383 1.068 20 30 CDEDLO CNC(=O)N1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000084696573 342380440 /nfs/dbraw/zinc/38/04/40/342380440.db2.gz GLEOWJUZMZGLTE-GFCCVEGCSA-N 1 2 272.352 1.576 20 30 CDEDLO CC(C)N(CCC#N)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000597039213 343433622 /nfs/dbraw/zinc/43/36/22/343433622.db2.gz SYTUGSNVVOPTAO-GFCCVEGCSA-N 1 2 260.341 1.596 20 30 CDEDLO C#CCNC(=O)c1ccc(NCc2[nH+]ccn2CC)nc1 ZINC000295044854 199317047 /nfs/dbraw/zinc/31/70/47/199317047.db2.gz TXOVTRHPUCNUEQ-UHFFFAOYSA-N 1 2 283.335 1.273 20 30 CDEDLO CC(C)[C@H](C#N)N1CC[NH+](C[C@@](C)(O)C(F)(F)F)CC1 ZINC000619621036 349822883 /nfs/dbraw/zinc/82/28/83/349822883.db2.gz NRVIASZITGGULU-NWDGAFQWSA-N 1 2 293.333 1.465 20 30 CDEDLO N#Cc1ccc(CCNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000597889826 343658918 /nfs/dbraw/zinc/65/89/18/343658918.db2.gz NRGBCBUFYMIQOD-UHFFFAOYSA-N 1 2 268.320 1.573 20 30 CDEDLO N#Cc1ccc(CCNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000597889826 343658921 /nfs/dbraw/zinc/65/89/21/343658921.db2.gz NRGBCBUFYMIQOD-UHFFFAOYSA-N 1 2 268.320 1.573 20 30 CDEDLO CCN(C(=O)C1CC[NH+](CC(F)F)CC1)[C@H](C)C#N ZINC000598362536 343777629 /nfs/dbraw/zinc/77/76/29/343777629.db2.gz GHVNEQGMYLWZCI-SNVBAGLBSA-N 1 2 273.327 1.724 20 30 CDEDLO CN(CC1(O)CCCC1)C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330243889 529855610 /nfs/dbraw/zinc/85/56/10/529855610.db2.gz CVMUBBVWMPDQHA-GFCCVEGCSA-N 1 2 292.383 1.349 20 30 CDEDLO CO[C@@H]1C[C@@H](c2ncc[nH]2)[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598625549 343847719 /nfs/dbraw/zinc/84/77/19/343847719.db2.gz PVFKCMAWSGNMCK-XQQFMLRXSA-N 1 2 292.383 1.472 20 30 CDEDLO CO[C@@H]1C[C@@H](c2ncc[nH]2)[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598625549 343847721 /nfs/dbraw/zinc/84/77/21/343847721.db2.gz PVFKCMAWSGNMCK-XQQFMLRXSA-N 1 2 292.383 1.472 20 30 CDEDLO CC(C)CN1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H](C)C1=O ZINC000598607609 343852811 /nfs/dbraw/zinc/85/28/11/343852811.db2.gz RNVQAYHSFOXOMZ-KBPBESRZSA-N 1 2 295.427 1.476 20 30 CDEDLO CC(C)CN1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H](C)C1=O ZINC000598607609 343852814 /nfs/dbraw/zinc/85/28/14/343852814.db2.gz RNVQAYHSFOXOMZ-KBPBESRZSA-N 1 2 295.427 1.476 20 30 CDEDLO CC[C@](C)([NH2+]CCOc1ccccc1C#N)C(=O)OC ZINC000265456831 362255764 /nfs/dbraw/zinc/25/57/64/362255764.db2.gz VWPYOLFPZQVTGM-HNNXBMFYSA-N 1 2 276.336 1.868 20 30 CDEDLO N#Cc1ccc(F)c(CN2CC[NH+](Cc3cn[nH]c3)CC2)c1 ZINC000599440485 344049405 /nfs/dbraw/zinc/04/94/05/344049405.db2.gz LQQATQDKHNMAAI-UHFFFAOYSA-N 1 2 299.353 1.738 20 30 CDEDLO N#Cc1ccc(CN2CC[NH+](Cc3cn[nH]c3)CC2)c(F)c1 ZINC000599440776 344049544 /nfs/dbraw/zinc/04/95/44/344049544.db2.gz QCFZZPZUHCDPBJ-UHFFFAOYSA-N 1 2 299.353 1.738 20 30 CDEDLO Cn1nccc1[C@@H]1c2[nH]c[nH+]c2CCN1CC1(C#N)CC1 ZINC000599443583 344050704 /nfs/dbraw/zinc/05/07/04/344050704.db2.gz BXOMKFLFYGCQQD-CQSZACIVSA-N 1 2 282.351 1.394 20 30 CDEDLO COc1cccc2c1C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C2 ZINC000599642951 344111663 /nfs/dbraw/zinc/11/16/63/344111663.db2.gz DKVTVHUVMGTNHB-GFCCVEGCSA-N 1 2 287.363 1.771 20 30 CDEDLO COc1cccc2c1C[N@H+]([C@H](C)C(=O)N(C)CCC#N)C2 ZINC000599642951 344111664 /nfs/dbraw/zinc/11/16/64/344111664.db2.gz DKVTVHUVMGTNHB-GFCCVEGCSA-N 1 2 287.363 1.771 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599645782 344112812 /nfs/dbraw/zinc/11/28/12/344112812.db2.gz DYDGHEXRSOLQFO-LBPRGKRZSA-N 1 2 299.374 1.701 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2c(O)cccc2C1 ZINC000599645782 344112813 /nfs/dbraw/zinc/11/28/13/344112813.db2.gz DYDGHEXRSOLQFO-LBPRGKRZSA-N 1 2 299.374 1.701 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cc(OC)cc(OC)c2)nn1 ZINC000424166743 347047472 /nfs/dbraw/zinc/04/74/72/347047472.db2.gz BCVRSNYJHGMSGA-UHFFFAOYSA-N 1 2 288.351 1.771 20 30 CDEDLO CN1CC[C@H]([N@H+](C)CC#Cc2cccc(Cl)c2)C1=O ZINC000269607647 282337832 /nfs/dbraw/zinc/33/78/32/282337832.db2.gz OQXAJKOUYONXTB-AWEZNQCLSA-N 1 2 276.767 1.854 20 30 CDEDLO CN1CC[C@H]([N@@H+](C)CC#Cc2cccc(Cl)c2)C1=O ZINC000269607647 282337835 /nfs/dbraw/zinc/33/78/35/282337835.db2.gz OQXAJKOUYONXTB-AWEZNQCLSA-N 1 2 276.767 1.854 20 30 CDEDLO CC[C@H](C)[C@@H](C[N@H+](CCC#N)CCN1CCOCC1)OC ZINC000602423761 344420725 /nfs/dbraw/zinc/42/07/25/344420725.db2.gz GCQQDFUPULDXSE-JKSUJKDBSA-N 1 2 297.443 1.595 20 30 CDEDLO CC[C@H](C)[C@@H](C[N@@H+](CCC#N)CCN1CCOCC1)OC ZINC000602423761 344420726 /nfs/dbraw/zinc/42/07/26/344420726.db2.gz GCQQDFUPULDXSE-JKSUJKDBSA-N 1 2 297.443 1.595 20 30 CDEDLO CC[C@H](C)[C@@H](CN(CCC#N)CC[NH+]1CCOCC1)OC ZINC000602423761 344420727 /nfs/dbraw/zinc/42/07/27/344420727.db2.gz GCQQDFUPULDXSE-JKSUJKDBSA-N 1 2 297.443 1.595 20 30 CDEDLO C[C@H](CCC#N)CNc1cnn(CC[NH+]2CCOCC2)c1 ZINC000602577875 344474035 /nfs/dbraw/zinc/47/40/35/344474035.db2.gz QMZSSVHJNOGLAH-CQSZACIVSA-N 1 2 291.399 1.567 20 30 CDEDLO COC(=O)c1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)n1C ZINC000602606063 344490665 /nfs/dbraw/zinc/49/06/65/344490665.db2.gz ALLUYMFNEZMVCL-OAHLLOKOSA-N 1 2 275.352 1.937 20 30 CDEDLO COC(=O)c1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)n1C ZINC000602606063 344490668 /nfs/dbraw/zinc/49/06/68/344490668.db2.gz ALLUYMFNEZMVCL-OAHLLOKOSA-N 1 2 275.352 1.937 20 30 CDEDLO C=CCOC[C@H](N[C@@H](c1[nH+]ccn1C)C1CC1)C(=O)OC ZINC000602641833 344512511 /nfs/dbraw/zinc/51/25/11/344512511.db2.gz FOCDVLGTJIHSOU-QWHCGFSZSA-N 1 2 293.367 1.205 20 30 CDEDLO C=CCC[C@@H]([NH2+][C@H]1CCCNC(=O)C1)C(=O)OCC ZINC000602682759 344528740 /nfs/dbraw/zinc/52/87/40/344528740.db2.gz RQUJNZNRFWDEAE-NWDGAFQWSA-N 1 2 268.357 1.143 20 30 CDEDLO N#CCC1(C[NH+]2CCN(C(=O)c3ccccn3)CC2)CC1 ZINC000602783723 344597687 /nfs/dbraw/zinc/59/76/87/344597687.db2.gz KZWKXJKJWIGIIK-UHFFFAOYSA-N 1 2 284.363 1.533 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C)CCOc1ccccc1F ZINC000602863115 344617719 /nfs/dbraw/zinc/61/77/19/344617719.db2.gz NYEHCXAOJMGWAC-GFCCVEGCSA-N 1 2 293.342 1.555 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000602865525 344638219 /nfs/dbraw/zinc/63/82/19/344638219.db2.gz YSBQZKQBBMBVRZ-JTQLQIEISA-N 1 2 297.305 1.796 20 30 CDEDLO COC1CC[NH+](Cc2cn(CC3(C#N)CC3)nn2)CC1 ZINC000603226534 344739167 /nfs/dbraw/zinc/73/91/67/344739167.db2.gz FERFAFJEXJNGHY-UHFFFAOYSA-N 1 2 275.356 1.193 20 30 CDEDLO CC[N@H+](CCN1C[C@H](C)O[C@@H](C)C1)C[C@@H](C)C#N ZINC000313793720 344908718 /nfs/dbraw/zinc/90/87/18/344908718.db2.gz HJDCJWUPEFEEGD-IHRRRGAJSA-N 1 2 253.390 1.577 20 30 CDEDLO CC[N@@H+](CCN1C[C@H](C)O[C@@H](C)C1)C[C@@H](C)C#N ZINC000313793720 344908720 /nfs/dbraw/zinc/90/87/20/344908720.db2.gz HJDCJWUPEFEEGD-IHRRRGAJSA-N 1 2 253.390 1.577 20 30 CDEDLO C=C(Br)C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000083690901 345002553 /nfs/dbraw/zinc/00/25/53/345002553.db2.gz GKYWKDNJUDUKPJ-UHFFFAOYSA-N 1 2 271.162 1.893 20 30 CDEDLO C[C@H]1OCC[C@@]12C[N@H+](CC1(C#N)CC1)C[C@@H](C)O2 ZINC000447831295 362525732 /nfs/dbraw/zinc/52/57/32/362525732.db2.gz KWJGVZORYBVZML-YRGRVCCFSA-N 1 2 250.342 1.558 20 30 CDEDLO C[C@H]1OCC[C@@]12C[N@@H+](CC1(C#N)CC1)C[C@@H](C)O2 ZINC000447831295 362525738 /nfs/dbraw/zinc/52/57/38/362525738.db2.gz KWJGVZORYBVZML-YRGRVCCFSA-N 1 2 250.342 1.558 20 30 CDEDLO C=CCN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000052685017 345301354 /nfs/dbraw/zinc/30/13/54/345301354.db2.gz PSSHAYFAAFJWJO-UHFFFAOYSA-N 1 2 265.401 1.193 20 30 CDEDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000618904911 345446100 /nfs/dbraw/zinc/44/61/00/345446100.db2.gz HIVMKMPXKMOLES-ZDUSSCGKSA-N 1 2 291.376 1.434 20 30 CDEDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000618904911 345446102 /nfs/dbraw/zinc/44/61/02/345446102.db2.gz HIVMKMPXKMOLES-ZDUSSCGKSA-N 1 2 291.376 1.434 20 30 CDEDLO COc1cc[nH+]c(CN2CCN([C@@H](C#N)C(C)C)CC2)c1 ZINC000609539254 345596308 /nfs/dbraw/zinc/59/63/08/345596308.db2.gz WJKIIYTWPPHYOL-INIZCTEOSA-N 1 2 288.395 1.756 20 30 CDEDLO CC#CC[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000162320913 362628420 /nfs/dbraw/zinc/62/84/20/362628420.db2.gz FKFHPWOEGBAENP-NSHDSACASA-N 1 2 281.153 1.588 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCCCNc1cccc[nH+]1 ZINC000448906414 362605807 /nfs/dbraw/zinc/60/58/07/362605807.db2.gz ALKBKTLUKUHIAN-KGLIPLIRSA-N 1 2 289.379 1.981 20 30 CDEDLO C=C[C@H]([NH2+]CCC1C[C@H](C)O[C@@H](C)C1)C(=O)OC ZINC000619856038 349938254 /nfs/dbraw/zinc/93/82/54/349938254.db2.gz FZROMPXRRLQFIS-GVXVVHGQSA-N 1 2 255.358 1.897 20 30 CDEDLO COCC[N@H+](CCC#N)Cc1ccc(C(N)=O)cc1 ZINC000610391982 346269602 /nfs/dbraw/zinc/26/96/02/346269602.db2.gz RRGZNKXBAQEOBP-UHFFFAOYSA-N 1 2 261.325 1.148 20 30 CDEDLO COCC[N@@H+](CCC#N)Cc1ccc(C(N)=O)cc1 ZINC000610391982 346269604 /nfs/dbraw/zinc/26/96/04/346269604.db2.gz RRGZNKXBAQEOBP-UHFFFAOYSA-N 1 2 261.325 1.148 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cn[nH]c1 ZINC000610487206 346292206 /nfs/dbraw/zinc/29/22/06/346292206.db2.gz AFSKCPIMXDVHQE-NSHDSACASA-N 1 2 283.335 1.740 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cn[nH]c1 ZINC000610487206 346292209 /nfs/dbraw/zinc/29/22/09/346292209.db2.gz AFSKCPIMXDVHQE-NSHDSACASA-N 1 2 283.335 1.740 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NCC[NH+]2Cc3ccccc3C2)c1 ZINC000610490032 346293885 /nfs/dbraw/zinc/29/38/85/346293885.db2.gz FSCFRXRIAQAHKQ-UHFFFAOYSA-N 1 2 280.331 1.632 20 30 CDEDLO C=CCC1(C(=O)N[C@H](C)C[NH+]2CCOCC2)CCCC1 ZINC000449627435 362761889 /nfs/dbraw/zinc/76/18/89/362761889.db2.gz GKJPRJRMUDDTIN-CQSZACIVSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CCC[C@H]([NH2+]CC1(OC)CCOCC1)C(=O)OCC ZINC000449657724 362764191 /nfs/dbraw/zinc/76/41/91/362764191.db2.gz QLLFLRATYLDZSF-ZDUSSCGKSA-N 1 2 285.384 1.670 20 30 CDEDLO CCCCNc1cc(N[C@@H]2CC[C@H](C#N)C2)nc(N)[nH+]1 ZINC000425269065 346612469 /nfs/dbraw/zinc/61/24/69/346612469.db2.gz BCZBLPGIIDRIGQ-WDEREUQCSA-N 1 2 274.372 1.627 20 30 CDEDLO CCCCNc1cc(N[C@@H]2CC[C@H](C#N)C2)[nH+]c(N)n1 ZINC000425269065 346612473 /nfs/dbraw/zinc/61/24/73/346612473.db2.gz BCZBLPGIIDRIGQ-WDEREUQCSA-N 1 2 274.372 1.627 20 30 CDEDLO C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611173923 346627393 /nfs/dbraw/zinc/62/73/93/346627393.db2.gz RMCIWLWOXPCORU-LSDHHAIUSA-N 1 2 292.427 1.213 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccccc1F ZINC000023819086 370649717 /nfs/dbraw/zinc/64/97/17/370649717.db2.gz MVQOKRSKBCFRLE-UHFFFAOYSA-N 1 2 279.315 1.269 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1ccccc1F ZINC000023819086 370649723 /nfs/dbraw/zinc/64/97/23/370649723.db2.gz MVQOKRSKBCFRLE-UHFFFAOYSA-N 1 2 279.315 1.269 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@](COC)(C(=O)OCC)C1 ZINC000619722318 348210108 /nfs/dbraw/zinc/21/01/08/348210108.db2.gz LKMFTMMKESUDEA-DOMZBBRYSA-N 1 2 299.367 1.006 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@](COC)(C(=O)OCC)C1 ZINC000619722318 348210110 /nfs/dbraw/zinc/21/01/10/348210110.db2.gz LKMFTMMKESUDEA-DOMZBBRYSA-N 1 2 299.367 1.006 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(CC#N)CC1 ZINC000541966540 348268887 /nfs/dbraw/zinc/26/88/87/348268887.db2.gz KBSIEYJQFZYRGV-ZDUSSCGKSA-N 1 2 294.399 1.042 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)Cc1ccc(F)cc1F ZINC000043626894 348758042 /nfs/dbraw/zinc/75/80/42/348758042.db2.gz LJHNHRIQCOJJEY-UHFFFAOYSA-N 1 2 254.280 1.699 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)Cc1ccc(F)cc1F ZINC000043626894 348758045 /nfs/dbraw/zinc/75/80/45/348758045.db2.gz LJHNHRIQCOJJEY-UHFFFAOYSA-N 1 2 254.280 1.699 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c(C#N)c1C ZINC000601974146 350037567 /nfs/dbraw/zinc/03/75/67/350037567.db2.gz PDQLEHPPQXOMMR-TXEJJXNPSA-N 1 2 289.335 1.285 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2C[C@@H]3COC[C@@H]3C2)c(C#N)c1C ZINC000601974146 350037571 /nfs/dbraw/zinc/03/75/71/350037571.db2.gz PDQLEHPPQXOMMR-TXEJJXNPSA-N 1 2 289.335 1.285 20 30 CDEDLO CCn1ncnc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292074509 198153895 /nfs/dbraw/zinc/15/38/95/198153895.db2.gz DADROZNBOBEPLV-CYBMUJFWSA-N 1 2 298.350 1.218 20 30 CDEDLO CCn1ncnc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292074509 198153896 /nfs/dbraw/zinc/15/38/96/198153896.db2.gz DADROZNBOBEPLV-CYBMUJFWSA-N 1 2 298.350 1.218 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccccn3)CC2)[nH]1 ZINC000153045385 188061910 /nfs/dbraw/zinc/06/19/10/188061910.db2.gz SGOBPBNWIYQIKF-UHFFFAOYSA-N 1 2 295.346 1.239 20 30 CDEDLO CCCNC(=O)NC(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000109812621 358474935 /nfs/dbraw/zinc/47/49/35/358474935.db2.gz OWCJUGSZOQTRCT-UHFFFAOYSA-N 1 2 282.388 1.484 20 30 CDEDLO CCCNC(=O)NC(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000109812621 358474936 /nfs/dbraw/zinc/47/49/36/358474936.db2.gz OWCJUGSZOQTRCT-UHFFFAOYSA-N 1 2 282.388 1.484 20 30 CDEDLO COC(=O)[C@@H]1CC[N@H+](C[C@H](C#N)CCC#N)C[C@@H]1C ZINC000355379294 366093459 /nfs/dbraw/zinc/09/34/59/366093459.db2.gz LEWARHSMYZYOQM-RWMBFGLXSA-N 1 2 263.341 1.561 20 30 CDEDLO COC(=O)[C@@H]1CC[N@@H+](C[C@H](C#N)CCC#N)C[C@@H]1C ZINC000355379294 366093461 /nfs/dbraw/zinc/09/34/61/366093461.db2.gz LEWARHSMYZYOQM-RWMBFGLXSA-N 1 2 263.341 1.561 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1ccc(F)c(F)c1 ZINC000493191486 366196856 /nfs/dbraw/zinc/19/68/56/366196856.db2.gz UJBBHWMSUVRDQT-PKYBCLHXSA-N 1 2 293.317 1.938 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@](F)(CO)C2)cc1F ZINC000336586940 356210028 /nfs/dbraw/zinc/21/00/28/356210028.db2.gz JZAUEFMMIUNJBL-AWEZNQCLSA-N 1 2 266.291 1.994 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@](F)(CO)C2)cc1F ZINC000336586940 356210031 /nfs/dbraw/zinc/21/00/31/356210031.db2.gz JZAUEFMMIUNJBL-AWEZNQCLSA-N 1 2 266.291 1.994 20 30 CDEDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cncc(C#N)c1 ZINC000336840414 356297015 /nfs/dbraw/zinc/29/70/15/356297015.db2.gz PZNGJLPNTHBFIF-UHFFFAOYSA-N 1 2 288.332 1.563 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCOCC1 ZINC000059951018 356377619 /nfs/dbraw/zinc/37/76/19/356377619.db2.gz YZOHAKNMSXCDKR-GFCCVEGCSA-N 1 2 273.336 1.608 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCOCC1 ZINC000059951018 356377621 /nfs/dbraw/zinc/37/76/21/356377621.db2.gz YZOHAKNMSXCDKR-GFCCVEGCSA-N 1 2 273.336 1.608 20 30 CDEDLO C[C@H](c1cccnc1)[NH+]1CCN(c2ncncc2C#N)CC1 ZINC000578525919 356716620 /nfs/dbraw/zinc/71/66/20/356716620.db2.gz RPWXLSDMQBRXDS-CYBMUJFWSA-N 1 2 294.362 1.626 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000048336689 356789357 /nfs/dbraw/zinc/78/93/57/356789357.db2.gz TUJKXPDZLDHRIU-NSHDSACASA-N 1 2 290.323 1.599 20 30 CDEDLO C=CCNC(=O)C[NH+](CCCCCC)CC(=O)NCC=C ZINC000298422760 356860853 /nfs/dbraw/zinc/86/08/53/356860853.db2.gz ICHPAKJWGBZMCF-UHFFFAOYSA-N 1 2 295.427 1.473 20 30 CDEDLO C[C@H]1C[C@H](CO)CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000344155097 356949390 /nfs/dbraw/zinc/94/93/90/356949390.db2.gz JOMFIZHZWOYGNS-WDEREUQCSA-N 1 2 293.392 1.651 20 30 CDEDLO C[C@H]1C[C@H](CO)CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000344155097 356949396 /nfs/dbraw/zinc/94/93/96/356949396.db2.gz JOMFIZHZWOYGNS-WDEREUQCSA-N 1 2 293.392 1.651 20 30 CDEDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000092843100 357298205 /nfs/dbraw/zinc/29/82/05/357298205.db2.gz FGGNGTRSJBBMQT-AWEZNQCLSA-N 1 2 293.392 1.072 20 30 CDEDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000092843100 357298212 /nfs/dbraw/zinc/29/82/12/357298212.db2.gz FGGNGTRSJBBMQT-AWEZNQCLSA-N 1 2 293.392 1.072 20 30 CDEDLO COCC1=CC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000185841389 357583453 /nfs/dbraw/zinc/58/34/53/357583453.db2.gz KLIJZHXSDOTIRU-OAHLLOKOSA-N 1 2 277.368 1.073 20 30 CDEDLO COCC1=CC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000185841389 357583457 /nfs/dbraw/zinc/58/34/57/357583457.db2.gz KLIJZHXSDOTIRU-OAHLLOKOSA-N 1 2 277.368 1.073 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)[C@H]1CCN(C2CCOCC2)C1=O ZINC000407951437 357670760 /nfs/dbraw/zinc/67/07/60/357670760.db2.gz SSKUUNQXUHCZJL-YPMHNXCESA-N 1 2 265.357 1.000 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)[C@H]1CCN(C2CCOCC2)C1=O ZINC000407951437 357670761 /nfs/dbraw/zinc/67/07/61/357670761.db2.gz SSKUUNQXUHCZJL-YPMHNXCESA-N 1 2 265.357 1.000 20 30 CDEDLO Cn1cc(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)cc1C#N ZINC000334795735 357632551 /nfs/dbraw/zinc/63/25/51/357632551.db2.gz LXKPEXKLSBWLDI-ZDUSSCGKSA-N 1 2 255.325 1.957 20 30 CDEDLO Cn1cc(C[N@H+]2CCC[C@H]2c2ncc[nH]2)cc1C#N ZINC000334795735 357632556 /nfs/dbraw/zinc/63/25/56/357632556.db2.gz LXKPEXKLSBWLDI-ZDUSSCGKSA-N 1 2 255.325 1.957 20 30 CDEDLO Cn1cc(CN2CCC[C@H]2c2[nH]cc[nH+]2)cc1C#N ZINC000334795735 357632562 /nfs/dbraw/zinc/63/25/62/357632562.db2.gz LXKPEXKLSBWLDI-ZDUSSCGKSA-N 1 2 255.325 1.957 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCC[C@@]23CCOC3=O)ccc1F ZINC000186750059 357683637 /nfs/dbraw/zinc/68/36/37/357683637.db2.gz NUBQWRJVZCVZAG-HNNXBMFYSA-N 1 2 274.295 1.979 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCC[C@@]23CCOC3=O)ccc1F ZINC000186750059 357683642 /nfs/dbraw/zinc/68/36/42/357683642.db2.gz NUBQWRJVZCVZAG-HNNXBMFYSA-N 1 2 274.295 1.979 20 30 CDEDLO C[C@H](O)CNc1cc(N(C)Cc2cccc(C#N)c2)nc[nH+]1 ZINC000294492194 199060344 /nfs/dbraw/zinc/06/03/44/199060344.db2.gz SHWMXSXWINVBLT-LBPRGKRZSA-N 1 2 297.362 1.777 20 30 CDEDLO C[C@H](O)CNc1cc(N(C)Cc2cccc(C#N)c2)[nH+]cn1 ZINC000294492194 199060346 /nfs/dbraw/zinc/06/03/46/199060346.db2.gz SHWMXSXWINVBLT-LBPRGKRZSA-N 1 2 297.362 1.777 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCCN(C(N)=O)CC2)c(Cl)c1 ZINC000335749002 357985091 /nfs/dbraw/zinc/98/50/91/357985091.db2.gz ZAZMRMHVKBMVMT-UHFFFAOYSA-N 1 2 292.770 1.798 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(N)=O)CC2)c(Cl)c1 ZINC000335749002 357985094 /nfs/dbraw/zinc/98/50/94/357985094.db2.gz ZAZMRMHVKBMVMT-UHFFFAOYSA-N 1 2 292.770 1.798 20 30 CDEDLO C#CCNC(=O)CC[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000294542075 199079088 /nfs/dbraw/zinc/07/90/88/199079088.db2.gz KIVKMDPIAQXMHV-NSHDSACASA-N 1 2 295.433 1.373 20 30 CDEDLO C#CCNC(=O)CC[N@H+]1CCSC[C@H]1c1nccs1 ZINC000294542075 199079090 /nfs/dbraw/zinc/07/90/90/199079090.db2.gz KIVKMDPIAQXMHV-NSHDSACASA-N 1 2 295.433 1.373 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@@H](C)O1 ZINC000189455932 358013308 /nfs/dbraw/zinc/01/33/08/358013308.db2.gz CXRWGODMCXXKEQ-BXUZGUMPSA-N 1 2 278.327 1.933 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H](C)O1 ZINC000189455932 358013311 /nfs/dbraw/zinc/01/33/11/358013311.db2.gz CXRWGODMCXXKEQ-BXUZGUMPSA-N 1 2 278.327 1.933 20 30 CDEDLO C#CCO[C@H](C)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000294685117 199132760 /nfs/dbraw/zinc/13/27/60/199132760.db2.gz YCDLTDRBKBQELV-GFCCVEGCSA-N 1 2 271.320 1.297 20 30 CDEDLO C#CCOc1ccccc1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000294846315 199211284 /nfs/dbraw/zinc/21/12/84/199211284.db2.gz RPZFWCKPJPCPMJ-UHFFFAOYSA-N 1 2 282.347 1.984 20 30 CDEDLO COC(=O)C[N@H+](CCOc1ccccc1C#N)C(C)C ZINC000098142797 358664493 /nfs/dbraw/zinc/66/44/93/358664493.db2.gz QEMVHOWXVPKIPM-UHFFFAOYSA-N 1 2 276.336 1.820 20 30 CDEDLO COC(=O)C[N@@H+](CCOc1ccccc1C#N)C(C)C ZINC000098142797 358664496 /nfs/dbraw/zinc/66/44/96/358664496.db2.gz QEMVHOWXVPKIPM-UHFFFAOYSA-N 1 2 276.336 1.820 20 30 CDEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cccc(C#N)c1 ZINC000264909393 358761849 /nfs/dbraw/zinc/76/18/49/358761849.db2.gz DUNGKGXOTLNQHV-NEPJUHHUSA-N 1 2 280.393 1.812 20 30 CDEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000264909393 358761850 /nfs/dbraw/zinc/76/18/50/358761850.db2.gz DUNGKGXOTLNQHV-NEPJUHHUSA-N 1 2 280.393 1.812 20 30 CDEDLO CNC(=O)[C@@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000178922144 283396094 /nfs/dbraw/zinc/39/60/94/283396094.db2.gz XFZBXOKGEYMWCD-AWEZNQCLSA-N 1 2 276.767 1.902 20 30 CDEDLO CNC(=O)[C@@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000178922144 283396098 /nfs/dbraw/zinc/39/60/98/283396098.db2.gz XFZBXOKGEYMWCD-AWEZNQCLSA-N 1 2 276.767 1.902 20 30 CDEDLO COCC[C@H]1COCC[N@@H+]1CCOc1ccccc1C#N ZINC000291116215 358878520 /nfs/dbraw/zinc/87/85/20/358878520.db2.gz ALVNDFVDGTUPJE-HNNXBMFYSA-N 1 2 290.363 1.674 20 30 CDEDLO COCC[C@H]1COCC[N@H+]1CCOc1ccccc1C#N ZINC000291116215 358878524 /nfs/dbraw/zinc/87/85/24/358878524.db2.gz ALVNDFVDGTUPJE-HNNXBMFYSA-N 1 2 290.363 1.674 20 30 CDEDLO C[C@@H]1C[NH+]=C(N2CCN(c3cccc(C#N)n3)CC2)S1 ZINC000267214873 359026526 /nfs/dbraw/zinc/02/65/26/359026526.db2.gz MOGPZPSIWFJDDO-LLVKDONJSA-N 1 2 287.392 1.567 20 30 CDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)C[C@@H]1C ZINC000230340439 359068239 /nfs/dbraw/zinc/06/82/39/359068239.db2.gz PQXKZEOSIVWHAY-JTQLQIEISA-N 1 2 299.421 1.334 20 30 CDEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)C[C@@H]1C ZINC000230340439 359068246 /nfs/dbraw/zinc/06/82/46/359068246.db2.gz PQXKZEOSIVWHAY-JTQLQIEISA-N 1 2 299.421 1.334 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000338162748 359092462 /nfs/dbraw/zinc/09/24/62/359092462.db2.gz RMCVLJGUZQMPFH-NSHDSACASA-N 1 2 268.320 1.882 20 30 CDEDLO Cc1[nH+]ccn1CCCNC(=O)c1ccc(C#N)c(O)c1 ZINC000338330582 359118994 /nfs/dbraw/zinc/11/89/94/359118994.db2.gz DXOQPBLIRFZVTL-UHFFFAOYSA-N 1 2 284.319 1.589 20 30 CDEDLO C=C(C)[C@H](CC(=O)NCCNc1cccc[nH+]1)OCC ZINC000270499658 359399391 /nfs/dbraw/zinc/39/93/91/359399391.db2.gz VYCWJWPZOMVRDO-ZDUSSCGKSA-N 1 2 277.368 1.981 20 30 CDEDLO C=CC[N@@H+](CCc1ccco1)Cc1nccc(N)n1 ZINC000272337257 359454247 /nfs/dbraw/zinc/45/42/47/359454247.db2.gz XRQJYTRCSDJAKF-UHFFFAOYSA-N 1 2 258.325 1.883 20 30 CDEDLO C=CC[N@H+](CCc1ccco1)Cc1nccc(N)n1 ZINC000272337257 359454252 /nfs/dbraw/zinc/45/42/52/359454252.db2.gz XRQJYTRCSDJAKF-UHFFFAOYSA-N 1 2 258.325 1.883 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCCCC)CC(N)=O ZINC000272494157 359456980 /nfs/dbraw/zinc/45/69/80/359456980.db2.gz COWDLLKVWRFMEX-UHFFFAOYSA-N 1 2 283.416 1.389 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCCCC)CC(N)=O ZINC000272494157 359456981 /nfs/dbraw/zinc/45/69/81/359456981.db2.gz COWDLLKVWRFMEX-UHFFFAOYSA-N 1 2 283.416 1.389 20 30 CDEDLO CC#CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000277355063 359560108 /nfs/dbraw/zinc/56/01/08/359560108.db2.gz IBZSIQXUIVOFII-UHFFFAOYSA-N 1 2 257.337 1.711 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)[C@H]2CCCCNC2=O)n1 ZINC000279758550 359593420 /nfs/dbraw/zinc/59/34/20/359593420.db2.gz RDXWPNSEGQCVKK-AWEZNQCLSA-N 1 2 274.368 1.007 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)[C@H]2CCCCNC2=O)n1 ZINC000279758550 359593427 /nfs/dbraw/zinc/59/34/27/359593427.db2.gz RDXWPNSEGQCVKK-AWEZNQCLSA-N 1 2 274.368 1.007 20 30 CDEDLO Cn1cc(C[NH+]2CC(C(=O)OC(C)(C)C)C2)cc1C#N ZINC000297466406 200201191 /nfs/dbraw/zinc/20/11/91/200201191.db2.gz QQUSLGBPQTYVQY-UHFFFAOYSA-N 1 2 275.352 1.670 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1nc(C)no1 ZINC000348094191 359829543 /nfs/dbraw/zinc/82/95/43/359829543.db2.gz DFICPXHOXHKAFS-JTQLQIEISA-N 1 2 266.345 1.453 20 30 CDEDLO N#C[C@@H]1COCCN1Cc1[nH+]ccn1CC(F)(F)F ZINC000336802814 359847337 /nfs/dbraw/zinc/84/73/37/359847337.db2.gz WAYNAQYLOVKYKZ-SECBINFHSA-N 1 2 274.246 1.170 20 30 CDEDLO C=CCOCCC[N@@H+]1CCO[C@@H](c2nnc(CC)o2)C1 ZINC000348173727 359871976 /nfs/dbraw/zinc/87/19/76/359871976.db2.gz AVVFXERKYTWJEJ-GFCCVEGCSA-N 1 2 281.356 1.598 20 30 CDEDLO C=CCOCCC[N@H+]1CCO[C@@H](c2nnc(CC)o2)C1 ZINC000348173727 359871980 /nfs/dbraw/zinc/87/19/80/359871980.db2.gz AVVFXERKYTWJEJ-GFCCVEGCSA-N 1 2 281.356 1.598 20 30 CDEDLO C=C(Cl)C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000297935825 200306512 /nfs/dbraw/zinc/30/65/12/200306512.db2.gz AAQJQVPQGZWAJT-ZDUSSCGKSA-N 1 2 253.729 1.999 20 30 CDEDLO COc1ccccc1[C@H]1CN(C(=O)[C@H](C)C#N)CC[NH2+]1 ZINC000337579040 360255285 /nfs/dbraw/zinc/25/52/85/360255285.db2.gz HUGBZXBADAKDOC-DGCLKSJQSA-N 1 2 273.336 1.328 20 30 CDEDLO Cc1ccn2c(CN3CCO[C@H](C#N)C3)c[nH+]c2c1 ZINC000093135220 360292268 /nfs/dbraw/zinc/29/22/68/360292268.db2.gz FWMILLLICYUHRX-CYBMUJFWSA-N 1 2 256.309 1.367 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](OCCO)C1 ZINC000177324158 189044215 /nfs/dbraw/zinc/04/42/15/189044215.db2.gz OODCPTRWCSRQLM-HNNXBMFYSA-N 1 2 278.327 1.671 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000177324158 189044216 /nfs/dbraw/zinc/04/42/16/189044216.db2.gz OODCPTRWCSRQLM-HNNXBMFYSA-N 1 2 278.327 1.671 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)c1cc(C#N)cs1 ZINC000548131986 360316594 /nfs/dbraw/zinc/31/65/94/360316594.db2.gz GCXOIBYYGKHDKR-UHFFFAOYSA-N 1 2 260.322 1.326 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000245573205 360715186 /nfs/dbraw/zinc/71/51/86/360715186.db2.gz ACJZIZSULVBTNN-STQMWFEESA-N 1 2 289.383 1.397 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000245573205 360715189 /nfs/dbraw/zinc/71/51/89/360715189.db2.gz ACJZIZSULVBTNN-STQMWFEESA-N 1 2 289.383 1.397 20 30 CDEDLO N#Cc1cccnc1N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000302750143 360802789 /nfs/dbraw/zinc/80/27/89/360802789.db2.gz GTEWOYLOCFWYIP-CYBMUJFWSA-N 1 2 283.335 1.626 20 30 CDEDLO COC(=O)[C@@H](CC(C)C)[NH+]1CCC(F)(C#N)CC1 ZINC000352467705 291242194 /nfs/dbraw/zinc/24/21/94/291242194.db2.gz MUWVJQRWKZZHTR-LLVKDONJSA-N 1 2 256.321 1.902 20 30 CDEDLO COc1cccc(CNC(=O)C[N@H+](C)CC(C)(C)C#N)c1 ZINC000433305092 361231103 /nfs/dbraw/zinc/23/11/03/361231103.db2.gz MJHPIHYEKQSXND-UHFFFAOYSA-N 1 2 289.379 1.793 20 30 CDEDLO COc1cccc(CNC(=O)C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000433305092 361231108 /nfs/dbraw/zinc/23/11/08/361231108.db2.gz MJHPIHYEKQSXND-UHFFFAOYSA-N 1 2 289.379 1.793 20 30 CDEDLO CN(C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)C1CC1 ZINC000519427668 361312222 /nfs/dbraw/zinc/31/22/22/361312222.db2.gz GIGCQXVFSGWMBN-UHFFFAOYSA-N 1 2 298.390 1.560 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc(Cl)c1 ZINC000435533967 361411118 /nfs/dbraw/zinc/41/11/18/361411118.db2.gz KYCQHFFSJXAEHP-GFCCVEGCSA-N 1 2 268.744 1.925 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc(Cl)c1 ZINC000435533967 361411124 /nfs/dbraw/zinc/41/11/24/361411124.db2.gz KYCQHFFSJXAEHP-GFCCVEGCSA-N 1 2 268.744 1.925 20 30 CDEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCC[C@H]1CCCCO1 ZINC000329316282 361476009 /nfs/dbraw/zinc/47/60/09/361476009.db2.gz HLWDMCOSQHNIBN-CHWSQXEVSA-N 1 2 270.373 1.623 20 30 CDEDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCC[C@H]1CCCCO1 ZINC000329316282 361476013 /nfs/dbraw/zinc/47/60/13/361476013.db2.gz HLWDMCOSQHNIBN-CHWSQXEVSA-N 1 2 270.373 1.623 20 30 CDEDLO CC(C)[C@@H]1C[C@H](NC(=O)N2CCn3cc[nH+]c3C2)CCO1 ZINC000329136147 361450987 /nfs/dbraw/zinc/45/09/87/361450987.db2.gz GUIIUFBIDZLWMG-OLZOCXBDSA-N 1 2 292.383 1.816 20 30 CDEDLO Cc1nc([C@@H]2CCCN2C(=O)NCc2[nH+]ccn2C)no1 ZINC000329402634 361500721 /nfs/dbraw/zinc/50/07/21/361500721.db2.gz WNUMIHFGWDTPLZ-JTQLQIEISA-N 1 2 290.327 1.363 20 30 CDEDLO C[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000545398589 364073343 /nfs/dbraw/zinc/07/33/43/364073343.db2.gz UEOFLWGRSKDNEF-ZDUSSCGKSA-N 1 2 279.365 1.405 20 30 CDEDLO C[C@@]1(CO)CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000545398589 364073352 /nfs/dbraw/zinc/07/33/52/364073352.db2.gz UEOFLWGRSKDNEF-ZDUSSCGKSA-N 1 2 279.365 1.405 20 30 CDEDLO C[C@@H](NC(=O)c1cccc(C#N)c1)[C@H](C)[NH+]1CCOCC1 ZINC000264194971 364467945 /nfs/dbraw/zinc/46/79/45/364467945.db2.gz CTAKXQOTTXMJFA-OLZOCXBDSA-N 1 2 287.363 1.397 20 30 CDEDLO CCOc1ccc(/C=[NH+]/CCNC(=O)OC)c(O)c1 ZINC000497076573 366866668 /nfs/dbraw/zinc/86/66/68/366866668.db2.gz AQFAOIYYUVPKCP-NTEUORMPSA-N 1 2 266.297 1.566 20 30 CDEDLO CCOCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000367081207 364775348 /nfs/dbraw/zinc/77/53/48/364775348.db2.gz STIWKJDTZOOKJP-OAHLLOKOSA-N 1 2 260.337 1.968 20 30 CDEDLO CCOCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000367081207 364775355 /nfs/dbraw/zinc/77/53/55/364775355.db2.gz STIWKJDTZOOKJP-OAHLLOKOSA-N 1 2 260.337 1.968 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cnc3ccccc3n2)nn1 ZINC000641182634 365181407 /nfs/dbraw/zinc/18/14/07/365181407.db2.gz AWCCDQHUXZVLRO-UHFFFAOYSA-N 1 2 292.346 1.383 20 30 CDEDLO N#CC[N@@H+](C[C@@H](O)COC1CCOCC1)C1CCCC1 ZINC000304947980 370810861 /nfs/dbraw/zinc/81/08/61/370810861.db2.gz TUGQKMCBJMHSDW-CQSZACIVSA-N 1 2 282.384 1.311 20 30 CDEDLO N#CC[N@H+](C[C@@H](O)COC1CCOCC1)C1CCCC1 ZINC000304947980 370810865 /nfs/dbraw/zinc/81/08/65/370810865.db2.gz TUGQKMCBJMHSDW-CQSZACIVSA-N 1 2 282.384 1.311 20 30 CDEDLO C[N@H+](Cc1ccc2c(c1)NC(=O)CO2)CC(C)(C)C#N ZINC000354017308 365401281 /nfs/dbraw/zinc/40/12/81/365401281.db2.gz JBHQJHWNNUYWBK-UHFFFAOYSA-N 1 2 273.336 1.999 20 30 CDEDLO C[N@@H+](Cc1ccc2c(c1)NC(=O)CO2)CC(C)(C)C#N ZINC000354017308 365401283 /nfs/dbraw/zinc/40/12/83/365401283.db2.gz JBHQJHWNNUYWBK-UHFFFAOYSA-N 1 2 273.336 1.999 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc2c(c1)oc(=O)n2C ZINC000507562012 367012150 /nfs/dbraw/zinc/01/21/50/367012150.db2.gz DOKBJXRAEKAQHU-JTQLQIEISA-N 1 2 259.309 1.723 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc2c(c1)oc(=O)n2C ZINC000507562012 367012159 /nfs/dbraw/zinc/01/21/59/367012159.db2.gz DOKBJXRAEKAQHU-JTQLQIEISA-N 1 2 259.309 1.723 20 30 CDEDLO C#CC[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000173816602 367047608 /nfs/dbraw/zinc/04/76/08/367047608.db2.gz XLHIGYAKGPKVLD-SNVBAGLBSA-N 1 2 285.116 1.337 20 30 CDEDLO CC(=O)c1ccc(C#N)c(NCC[N@H+]2CCOC[C@@H]2C)c1 ZINC000347401354 370939314 /nfs/dbraw/zinc/93/93/14/370939314.db2.gz BVFQAEIVUDTRKU-LBPRGKRZSA-N 1 2 287.363 1.893 20 30 CDEDLO CC(=O)c1ccc(C#N)c(NCC[N@@H+]2CCOC[C@@H]2C)c1 ZINC000347401354 370939320 /nfs/dbraw/zinc/93/93/20/370939320.db2.gz BVFQAEIVUDTRKU-LBPRGKRZSA-N 1 2 287.363 1.893 20 30 CDEDLO C=CCC[C@H](NCc1[nH+]ccn1CC)C(=O)OCC ZINC000574268473 335005213 /nfs/dbraw/zinc/00/52/13/335005213.db2.gz WAWDAIZKAYBYTL-LBPRGKRZSA-N 1 2 265.357 1.891 20 30 CDEDLO C#CC[N@@H+](CCC(=O)OC)Cc1cccc(F)c1F ZINC000076180548 369504046 /nfs/dbraw/zinc/50/40/46/369504046.db2.gz NOYDFDFQOBXIOR-UHFFFAOYSA-N 1 2 267.275 1.963 20 30 CDEDLO C#CC[N@H+](CCC(=O)OC)Cc1cccc(F)c1F ZINC000076180548 369504047 /nfs/dbraw/zinc/50/40/47/369504047.db2.gz NOYDFDFQOBXIOR-UHFFFAOYSA-N 1 2 267.275 1.963 20 30 CDEDLO CCN(CCC#N)S(=O)(=O)NCCc1ccc(C)[nH+]c1 ZINC000554534944 370225412 /nfs/dbraw/zinc/22/54/12/370225412.db2.gz GXZVRKDNDRWTSA-UHFFFAOYSA-N 1 2 296.396 1.003 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000331710389 204096488 /nfs/dbraw/zinc/09/64/88/204096488.db2.gz CQNLQBXGZRYBKW-BBRMVZONSA-N 1 2 297.362 1.612 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000331710389 204096490 /nfs/dbraw/zinc/09/64/90/204096490.db2.gz CQNLQBXGZRYBKW-BBRMVZONSA-N 1 2 297.362 1.612 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H](Cn3cncn3)C2)c1 ZINC000331732325 204104096 /nfs/dbraw/zinc/10/40/96/204104096.db2.gz QMUSXEQDXJBBPP-OAHLLOKOSA-N 1 2 283.335 1.051 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H](Cn3cncn3)C2)c1 ZINC000331732325 204104100 /nfs/dbraw/zinc/10/41/00/204104100.db2.gz QMUSXEQDXJBBPP-OAHLLOKOSA-N 1 2 283.335 1.051 20 30 CDEDLO C[C@@H](C#N)CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000568800036 371230693 /nfs/dbraw/zinc/23/06/93/371230693.db2.gz IMBIRWWTLIFEFV-QWRGUYRKSA-N 1 2 261.329 1.079 20 30 CDEDLO CC(C)Oc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cn1 ZINC000574104758 371698885 /nfs/dbraw/zinc/69/88/85/371698885.db2.gz OFANJLZUHUXQHG-HNNXBMFYSA-N 1 2 290.367 1.442 20 30 CDEDLO N#CCC[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000578007530 372217482 /nfs/dbraw/zinc/21/74/82/372217482.db2.gz UIFAKYPLVHDMCV-CQSZACIVSA-N 1 2 268.320 1.162 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000578140430 372311962 /nfs/dbraw/zinc/31/19/62/372311962.db2.gz JCDFGFCEFHNVFH-JTQLQIEISA-N 1 2 275.308 1.636 20 30 CDEDLO C[C@@H](C#N)CNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000182861388 372632224 /nfs/dbraw/zinc/63/22/24/372632224.db2.gz SYIZOWOUBGZEQV-ZDUSSCGKSA-N 1 2 287.367 1.068 20 30 CDEDLO C[C@H](C#N)CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000184652629 372650723 /nfs/dbraw/zinc/65/07/23/372650723.db2.gz SWJVGHJICVBIKF-CYBMUJFWSA-N 1 2 287.367 1.068 20 30 CDEDLO C#CC[N@@H+](C)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000176303323 372726671 /nfs/dbraw/zinc/72/66/71/372726671.db2.gz YSILYUUCDUPYRU-HNNXBMFYSA-N 1 2 288.347 1.374 20 30 CDEDLO C#CC[N@H+](C)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000176303323 372726678 /nfs/dbraw/zinc/72/66/78/372726678.db2.gz YSILYUUCDUPYRU-HNNXBMFYSA-N 1 2 288.347 1.374 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000580837784 372710856 /nfs/dbraw/zinc/71/08/56/372710856.db2.gz ZOOOCRDIPRQICF-PWSUYJOCSA-N 1 2 273.327 1.772 20 30 CDEDLO CCc1nnc(NC[C@H]2C[N@H+](C)CCO2)c(C#N)c1CC ZINC000120798076 372797259 /nfs/dbraw/zinc/79/72/59/372797259.db2.gz QBCDWZVFLNOHJK-NSHDSACASA-N 1 2 289.383 1.216 20 30 CDEDLO CCc1nnc(NC[C@H]2C[N@@H+](C)CCO2)c(C#N)c1CC ZINC000120798076 372797265 /nfs/dbraw/zinc/79/72/65/372797265.db2.gz QBCDWZVFLNOHJK-NSHDSACASA-N 1 2 289.383 1.216 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2nc(C)ncc2C1 ZINC000642528770 373562455 /nfs/dbraw/zinc/56/24/55/373562455.db2.gz JENPRVFUDVKFPP-UHFFFAOYSA-N 1 2 286.379 1.344 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2nc(C)ncc2C1 ZINC000642528770 373562461 /nfs/dbraw/zinc/56/24/61/373562461.db2.gz JENPRVFUDVKFPP-UHFFFAOYSA-N 1 2 286.379 1.344 20 30 CDEDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1ccc(C#N)c(F)c1)CC2 ZINC000192049573 373574349 /nfs/dbraw/zinc/57/43/49/373574349.db2.gz SFMQBBWWWYRVCW-UHFFFAOYSA-N 1 2 298.321 1.349 20 30 CDEDLO Cn1nc2c(cc1=O)C[N@H+](Cc1ccc(C#N)c(F)c1)CC2 ZINC000192049573 373574361 /nfs/dbraw/zinc/57/43/61/373574361.db2.gz SFMQBBWWWYRVCW-UHFFFAOYSA-N 1 2 298.321 1.349 20 30 CDEDLO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000298589302 373856594 /nfs/dbraw/zinc/85/65/94/373856594.db2.gz XUYUBEOFLYZPNB-HNNXBMFYSA-N 1 2 292.404 1.815 20 30 CDEDLO CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000298589302 373856603 /nfs/dbraw/zinc/85/66/03/373856603.db2.gz XUYUBEOFLYZPNB-HNNXBMFYSA-N 1 2 292.404 1.815 20 30 CDEDLO N#Cc1c(F)cccc1-n1ccc(NCc2[nH]cc[nH+]2)n1 ZINC000358479785 373959286 /nfs/dbraw/zinc/95/92/86/373959286.db2.gz DVVFEXYGXAQOPN-UHFFFAOYSA-N 1 2 282.282 1.640 20 30 CDEDLO COCC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000112352548 374221371 /nfs/dbraw/zinc/22/13/71/374221371.db2.gz AFEZDJKFXIVUDN-UHFFFAOYSA-N 1 2 293.392 1.917 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)[nH]1 ZINC000269755485 374257738 /nfs/dbraw/zinc/25/77/38/374257738.db2.gz UBHMCOKMKZEHBB-SNVBAGLBSA-N 1 2 269.308 1.629 20 30 CDEDLO CCOC(=O)[C@@H](F)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000293837972 374891256 /nfs/dbraw/zinc/89/12/56/374891256.db2.gz GZFICCWATVWZHS-LBPRGKRZSA-N 1 2 282.340 1.953 20 30 CDEDLO O=C1CC[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)CCN12 ZINC000334356329 374997543 /nfs/dbraw/zinc/99/75/43/374997543.db2.gz NCDRRESWBDIFSI-HNNXBMFYSA-N 1 2 272.323 1.484 20 30 CDEDLO O=C1CC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)CCN12 ZINC000334356329 374997546 /nfs/dbraw/zinc/99/75/46/374997546.db2.gz NCDRRESWBDIFSI-HNNXBMFYSA-N 1 2 272.323 1.484 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)CCc1ccc(C#N)cc1 ZINC000353127727 375005854 /nfs/dbraw/zinc/00/58/54/375005854.db2.gz MKGRINBQMTXHOF-UHFFFAOYSA-N 1 2 268.320 1.839 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000280666773 375010930 /nfs/dbraw/zinc/01/09/30/375010930.db2.gz PLVDAPBALGICEI-QWRGUYRKSA-N 1 2 291.351 1.299 20 30 CDEDLO COC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000280738425 375018570 /nfs/dbraw/zinc/01/85/70/375018570.db2.gz MAHUROKKYFQUFL-ZWNOBZJWSA-N 1 2 262.309 1.085 20 30 CDEDLO COC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000280738425 375018575 /nfs/dbraw/zinc/01/85/75/375018575.db2.gz MAHUROKKYFQUFL-ZWNOBZJWSA-N 1 2 262.309 1.085 20 30 CDEDLO N#Cc1ccc(C(=O)NCc2cn3c([nH+]2)CCCC3)cc1O ZINC000332309069 375026518 /nfs/dbraw/zinc/02/65/18/375026518.db2.gz MLPJFINJKLNTKH-UHFFFAOYSA-N 1 2 296.330 1.727 20 30 CDEDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1cccc(C#N)c1F)CC2 ZINC000332524092 375035797 /nfs/dbraw/zinc/03/57/97/375035797.db2.gz NUGAHMPIMMHPNW-UHFFFAOYSA-N 1 2 298.321 1.349 20 30 CDEDLO Cn1nc2c(cc1=O)C[N@H+](Cc1cccc(C#N)c1F)CC2 ZINC000332524092 375035804 /nfs/dbraw/zinc/03/58/04/375035804.db2.gz NUGAHMPIMMHPNW-UHFFFAOYSA-N 1 2 298.321 1.349 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000131068561 375161016 /nfs/dbraw/zinc/16/10/16/375161016.db2.gz WNYLCFNVLJEVGO-BXUZGUMPSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000131068561 375161020 /nfs/dbraw/zinc/16/10/20/375161020.db2.gz WNYLCFNVLJEVGO-BXUZGUMPSA-N 1 2 276.336 1.148 20 30 CDEDLO C=C(Br)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000131588046 375431728 /nfs/dbraw/zinc/43/17/28/375431728.db2.gz ZTWORNKULWWTLL-LBPRGKRZSA-N 1 2 289.217 1.549 20 30 CDEDLO C=C(Br)C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000131588046 375431732 /nfs/dbraw/zinc/43/17/32/375431732.db2.gz ZTWORNKULWWTLL-LBPRGKRZSA-N 1 2 289.217 1.549 20 30 CDEDLO Cc1cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc(=O)[nH]1 ZINC000330295841 291630759 /nfs/dbraw/zinc/63/07/59/291630759.db2.gz FWPURYAFMFOALV-LLVKDONJSA-N 1 2 272.308 1.612 20 30 CDEDLO C#CCNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000048020070 375849032 /nfs/dbraw/zinc/84/90/32/375849032.db2.gz JFAKNEOUXSBYSM-UHFFFAOYSA-N 1 2 272.352 1.504 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000049001015 375874606 /nfs/dbraw/zinc/87/46/06/375874606.db2.gz OBEWRNBPTGCWKI-UWVGGRQHSA-N 1 2 268.361 1.091 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000049001015 375874609 /nfs/dbraw/zinc/87/46/09/375874609.db2.gz OBEWRNBPTGCWKI-UWVGGRQHSA-N 1 2 268.361 1.091 20 30 CDEDLO CO[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC000328610007 375891783 /nfs/dbraw/zinc/89/17/83/375891783.db2.gz NHURWBAWQCYGOO-JHJVBQTASA-N 1 2 292.383 1.611 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H](C)n1cncn1)CCC2 ZINC000328808929 375958906 /nfs/dbraw/zinc/95/89/06/375958906.db2.gz MIIDCTYNDRROFL-RYUDHWBXSA-N 1 2 288.355 1.878 20 30 CDEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)C1 ZINC000328748913 375943915 /nfs/dbraw/zinc/94/39/15/375943915.db2.gz BJPFUHJFHJDVGU-OUAUKWLOSA-N 1 2 261.329 1.382 20 30 CDEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)C1 ZINC000328748913 375943920 /nfs/dbraw/zinc/94/39/20/375943920.db2.gz BJPFUHJFHJDVGU-OUAUKWLOSA-N 1 2 261.329 1.382 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000328868902 375995777 /nfs/dbraw/zinc/99/57/77/375995777.db2.gz XNROCVVLKWBBCN-DGCLKSJQSA-N 1 2 265.357 1.860 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000330592649 376287167 /nfs/dbraw/zinc/28/71/67/376287167.db2.gz ZXBGWWKDVROIFL-UONOGXRCSA-N 1 2 279.384 1.727 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000330592649 376287169 /nfs/dbraw/zinc/28/71/69/376287169.db2.gz ZXBGWWKDVROIFL-UONOGXRCSA-N 1 2 279.384 1.727 20 30 CDEDLO CC(C)c1noc([C@H](C)[N@H+](C)CCNC(=O)N(C)C)n1 ZINC000330628253 376296163 /nfs/dbraw/zinc/29/61/63/376296163.db2.gz YOAKAFMLMKAQJZ-JTQLQIEISA-N 1 2 283.376 1.661 20 30 CDEDLO CC(C)c1noc([C@H](C)[N@@H+](C)CCNC(=O)N(C)C)n1 ZINC000330628253 376296167 /nfs/dbraw/zinc/29/61/67/376296167.db2.gz YOAKAFMLMKAQJZ-JTQLQIEISA-N 1 2 283.376 1.661 20 30 CDEDLO C=CCN(CC=C)C(=O)CSCC[NH+]1CCOCC1 ZINC000160015648 376997339 /nfs/dbraw/zinc/99/73/39/376997339.db2.gz BRGUIJNHHKGKGP-UHFFFAOYSA-N 1 2 284.425 1.252 20 30 CDEDLO C=CC[C@@H](CO)CNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000632295449 377258045 /nfs/dbraw/zinc/25/80/45/377258045.db2.gz LCWAPIBRCIIOMP-GFCCVEGCSA-N 1 2 285.347 1.991 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC(CCC#N)CC2)C1 ZINC000572238636 377796001 /nfs/dbraw/zinc/79/60/01/377796001.db2.gz VGXLKFNQCNHNSZ-CQSZACIVSA-N 1 2 294.399 1.042 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCC(CCC#N)CC2)C1 ZINC000572238636 377796006 /nfs/dbraw/zinc/79/60/06/377796006.db2.gz VGXLKFNQCNHNSZ-CQSZACIVSA-N 1 2 294.399 1.042 20 30 CDEDLO C=C(C)C[N@@H+](C)[C@H](C)c1nc(N)nc(N(C)C)n1 ZINC000181249822 377946621 /nfs/dbraw/zinc/94/66/21/377946621.db2.gz VJFSUJQBIKMXBU-SECBINFHSA-N 1 2 250.350 1.089 20 30 CDEDLO C=C(C)C[N@H+](C)[C@H](C)c1nc(N)nc(N(C)C)n1 ZINC000181249822 377946628 /nfs/dbraw/zinc/94/66/28/377946628.db2.gz VJFSUJQBIKMXBU-SECBINFHSA-N 1 2 250.350 1.089 20 30 CDEDLO CC#CC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000282799811 378072787 /nfs/dbraw/zinc/07/27/87/378072787.db2.gz MSGRSJUSEOPYME-UHFFFAOYSA-N 1 2 286.375 1.753 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000282883324 378075605 /nfs/dbraw/zinc/07/56/05/378075605.db2.gz YQVNMYZJQYBJIP-AWEZNQCLSA-N 1 2 293.388 1.318 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000282883324 378075609 /nfs/dbraw/zinc/07/56/09/378075609.db2.gz YQVNMYZJQYBJIP-AWEZNQCLSA-N 1 2 293.388 1.318 20 30 CDEDLO N#C[C@@H]1CC[C@@H](Nc2cccc(C[N@@H+]3CCNC(=O)C3)c2)C1 ZINC000563845543 378282795 /nfs/dbraw/zinc/28/27/95/378282795.db2.gz NSBULAAUCGRAHX-CZUORRHYSA-N 1 2 298.390 1.723 20 30 CDEDLO N#C[C@@H]1CC[C@@H](Nc2cccc(C[N@H+]3CCNC(=O)C3)c2)C1 ZINC000563845543 378282797 /nfs/dbraw/zinc/28/27/97/378282797.db2.gz NSBULAAUCGRAHX-CZUORRHYSA-N 1 2 298.390 1.723 20 30 CDEDLO C[C@@H]1C[N@H+](CC2(C#N)CC2)CCN1CC1(C#N)CC1 ZINC000343320636 378422259 /nfs/dbraw/zinc/42/22/59/378422259.db2.gz LVXBVAPMTBDONL-CYBMUJFWSA-N 1 2 258.369 1.600 20 30 CDEDLO C[C@@H]1C[N@@H+](CC2(C#N)CC2)CCN1CC1(C#N)CC1 ZINC000343320636 378422263 /nfs/dbraw/zinc/42/22/63/378422263.db2.gz LVXBVAPMTBDONL-CYBMUJFWSA-N 1 2 258.369 1.600 20 30 CDEDLO C[C@@H]1CN(CC2(C#N)CC2)CC[N@@H+]1CC1(C#N)CC1 ZINC000343320636 378422266 /nfs/dbraw/zinc/42/22/66/378422266.db2.gz LVXBVAPMTBDONL-CYBMUJFWSA-N 1 2 258.369 1.600 20 30 CDEDLO C[C@@H]1CN(CC2(C#N)CC2)CC[N@H+]1CC1(C#N)CC1 ZINC000343320636 378422272 /nfs/dbraw/zinc/42/22/72/378422272.db2.gz LVXBVAPMTBDONL-CYBMUJFWSA-N 1 2 258.369 1.600 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000293285457 378554078 /nfs/dbraw/zinc/55/40/78/378554078.db2.gz VPWBEPCFWZQKER-LBPRGKRZSA-N 1 2 290.363 1.986 20 30 CDEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000293285457 378554080 /nfs/dbraw/zinc/55/40/80/378554080.db2.gz VPWBEPCFWZQKER-LBPRGKRZSA-N 1 2 290.363 1.986 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCc1[nH+]ccn1CC ZINC000295885881 378699811 /nfs/dbraw/zinc/69/98/11/378699811.db2.gz YVNPIVSECBNNHD-NSHDSACASA-N 1 2 251.330 1.500 20 30 CDEDLO [O-]C(N[C@@H]1CC[C@H](F)C1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000329230566 227366806 /nfs/dbraw/zinc/36/68/06/227366806.db2.gz KCHLCXMECSDZBT-HBNTYKKESA-N 1 2 266.320 1.592 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1CC[C@H](F)C1 ZINC000329230566 227366811 /nfs/dbraw/zinc/36/68/11/227366811.db2.gz KCHLCXMECSDZBT-HBNTYKKESA-N 1 2 266.320 1.592 20 30 CDEDLO C=CCN1CC[C@H](N(C)C(=O)c2ccc3[nH+]ccn3c2)C1=O ZINC000281212314 195151636 /nfs/dbraw/zinc/15/16/36/195151636.db2.gz CWHLYVJNNZVCAR-ZDUSSCGKSA-N 1 2 298.346 1.193 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCCCCCC)C1=O ZINC000281484842 195260446 /nfs/dbraw/zinc/26/04/46/195260446.db2.gz WVGHHEMUBFYTSA-AWEZNQCLSA-N 1 2 295.427 1.402 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCCCCCC)C1=O ZINC000281484842 195260448 /nfs/dbraw/zinc/26/04/48/195260448.db2.gz WVGHHEMUBFYTSA-AWEZNQCLSA-N 1 2 295.427 1.402 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC#Cc1ccccc1 ZINC000048415987 390596240 /nfs/dbraw/zinc/59/62/40/390596240.db2.gz QEPMAEOTWIQVKE-AWEZNQCLSA-N 1 2 282.347 1.623 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000015547701 390666770 /nfs/dbraw/zinc/66/67/70/390666770.db2.gz ZVPRMVWDESOPNP-SNVBAGLBSA-N 1 2 293.392 1.679 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCc2sccc2[C@H]1C ZINC000015547701 390666774 /nfs/dbraw/zinc/66/67/74/390666774.db2.gz ZVPRMVWDESOPNP-SNVBAGLBSA-N 1 2 293.392 1.679 20 30 CDEDLO Cc1[nH+]c2ccccn2c1CN1CCO[C@H](C#N)C1 ZINC000160159259 390944928 /nfs/dbraw/zinc/94/49/28/390944928.db2.gz SXIJVGBLUUGCOV-GFCCVEGCSA-N 1 2 256.309 1.367 20 30 CDEDLO N#CCC[N@@H+](Cc1cc(C(N)=O)cs1)CC1CC1 ZINC000093091562 390899270 /nfs/dbraw/zinc/89/92/70/390899270.db2.gz WOVFUGYAXVKURN-UHFFFAOYSA-N 1 2 263.366 1.973 20 30 CDEDLO N#CCC[N@H+](Cc1cc(C(N)=O)cs1)CC1CC1 ZINC000093091562 390899272 /nfs/dbraw/zinc/89/92/72/390899272.db2.gz WOVFUGYAXVKURN-UHFFFAOYSA-N 1 2 263.366 1.973 20 30 CDEDLO C=CCCOCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000155280654 390918051 /nfs/dbraw/zinc/91/80/51/390918051.db2.gz ZGCYCVATOAHFCK-LBPRGKRZSA-N 1 2 263.341 1.154 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000293104521 391019684 /nfs/dbraw/zinc/01/96/84/391019684.db2.gz LHSGMRYIBWCOQI-UHFFFAOYSA-N 1 2 287.407 1.666 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000293104521 391019687 /nfs/dbraw/zinc/01/96/87/391019687.db2.gz LHSGMRYIBWCOQI-UHFFFAOYSA-N 1 2 287.407 1.666 20 30 CDEDLO O=C(NC1CC1)N[C@H]1CCN(c2cc[nH+]c3ccncc32)C1 ZINC000329445854 390989474 /nfs/dbraw/zinc/98/94/74/390989474.db2.gz BLMMJQLLYKZUIB-LBPRGKRZSA-N 1 2 297.362 1.875 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000351792394 391095618 /nfs/dbraw/zinc/09/56/18/391095618.db2.gz PKPDAUPZOWUBKC-OAHLLOKOSA-N 1 2 294.420 1.719 20 30 CDEDLO C=CCn1cccc1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413956930 391103452 /nfs/dbraw/zinc/10/34/52/391103452.db2.gz NXZHDTVTUIJNDX-UHFFFAOYSA-N 1 2 291.395 1.515 20 30 CDEDLO C#C[C@H](C)NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000186051109 391065940 /nfs/dbraw/zinc/06/59/40/391065940.db2.gz DIOVMHXESXBQKN-UONOGXRCSA-N 1 2 286.379 1.492 20 30 CDEDLO N#CC1(F)CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000352464813 391148775 /nfs/dbraw/zinc/14/87/75/391148775.db2.gz XOSHNNMVKWAVEC-UHFFFAOYSA-N 1 2 261.300 1.613 20 30 CDEDLO C[C@@H](CNC(=O)C[C@H]1CCOC1)[NH+]1CCOCC1 ZINC000330179187 533360360 /nfs/dbraw/zinc/36/03/60/533360360.db2.gz FFOIZGJOFRXDMT-NWDGAFQWSA-N 1 2 256.346 1.090 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000374292554 391158239 /nfs/dbraw/zinc/15/82/39/391158239.db2.gz NOJGMMZNIFNRED-CQSZACIVSA-N 1 2 298.390 1.629 20 30 CDEDLO Cc1cc(CO[NH+]=C(N)[C@@H](C)OCC(C)C)no1 ZINC000266208246 391171528 /nfs/dbraw/zinc/17/15/28/391171528.db2.gz NGPJTJHOSBXSLO-SNVBAGLBSA-N 1 2 255.318 1.833 20 30 CDEDLO N#CCCN(CCC#N)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000376098951 391213971 /nfs/dbraw/zinc/21/39/71/391213971.db2.gz UNYYJRAYCPYMMR-GFCCVEGCSA-N 1 2 271.324 1.101 20 30 CDEDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000367103261 391283166 /nfs/dbraw/zinc/28/31/66/391283166.db2.gz LSIWWAVPTDIPSH-SNVBAGLBSA-N 1 2 261.300 1.408 20 30 CDEDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000367103261 391283171 /nfs/dbraw/zinc/28/31/71/391283171.db2.gz LSIWWAVPTDIPSH-SNVBAGLBSA-N 1 2 261.300 1.408 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000339461065 391305050 /nfs/dbraw/zinc/30/50/50/391305050.db2.gz ACECMUPQXKYCKK-STQMWFEESA-N 1 2 277.368 1.717 20 30 CDEDLO C=CCCCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000345777497 391312904 /nfs/dbraw/zinc/31/29/04/391312904.db2.gz LXBVZNBSZWIYKN-GJZGRUSLSA-N 1 2 295.427 1.847 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCCCCC#N)C1 ZINC000339542156 391313656 /nfs/dbraw/zinc/31/36/56/391313656.db2.gz AHLMHYOMMDOQIP-GFCCVEGCSA-N 1 2 275.356 1.613 20 30 CDEDLO N#Cc1cccc(OCCC[NH+]2CCS(=O)CC2)c1 ZINC000049691707 391326217 /nfs/dbraw/zinc/32/62/17/391326217.db2.gz UYHXVPYZDUFNCC-UHFFFAOYSA-N 1 2 278.377 1.391 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346443562 391356318 /nfs/dbraw/zinc/35/63/18/391356318.db2.gz ARCGOSJVXKIOLD-KBPBESRZSA-N 1 2 293.411 1.106 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346443562 391356324 /nfs/dbraw/zinc/35/63/24/391356324.db2.gz ARCGOSJVXKIOLD-KBPBESRZSA-N 1 2 293.411 1.106 20 30 CDEDLO C=CC[N@H+](CCOC1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000346961252 391379195 /nfs/dbraw/zinc/37/91/95/391379195.db2.gz FPJBBCBSEDHWCM-GFCCVEGCSA-N 1 2 273.398 1.231 20 30 CDEDLO C=CC[N@@H+](CCOC1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000346961252 391379197 /nfs/dbraw/zinc/37/91/97/391379197.db2.gz FPJBBCBSEDHWCM-GFCCVEGCSA-N 1 2 273.398 1.231 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000335243395 391381041 /nfs/dbraw/zinc/38/10/41/391381041.db2.gz YLDSCYLHZUMVKK-NWDGAFQWSA-N 1 2 252.358 1.130 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000335243395 391381044 /nfs/dbraw/zinc/38/10/44/391381044.db2.gz YLDSCYLHZUMVKK-NWDGAFQWSA-N 1 2 252.358 1.130 20 30 CDEDLO Cc1nc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c(C)o1 ZINC000328916574 391393018 /nfs/dbraw/zinc/39/30/18/391393018.db2.gz KHEITJQUIHZHQW-SECBINFHSA-N 1 2 260.297 1.877 20 30 CDEDLO Cc1nc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c(C)o1 ZINC000328916574 391393020 /nfs/dbraw/zinc/39/30/20/391393020.db2.gz KHEITJQUIHZHQW-SECBINFHSA-N 1 2 260.297 1.877 20 30 CDEDLO C[C@](O)(CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000328973575 391401586 /nfs/dbraw/zinc/40/15/86/391401586.db2.gz VSJJEVRDDHHNJL-HZMBPMFUSA-N 1 2 263.341 1.775 20 30 CDEDLO C[C@](O)(CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000328973575 391401588 /nfs/dbraw/zinc/40/15/88/391401588.db2.gz VSJJEVRDDHHNJL-HZMBPMFUSA-N 1 2 263.341 1.775 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000366542148 391438605 /nfs/dbraw/zinc/43/86/05/391438605.db2.gz BJMKBVARWKWCRT-LBPRGKRZSA-N 1 2 260.337 1.572 20 30 CDEDLO C=CCNC(=O)C[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000366542148 391438608 /nfs/dbraw/zinc/43/86/08/391438608.db2.gz BJMKBVARWKWCRT-LBPRGKRZSA-N 1 2 260.337 1.572 20 30 CDEDLO Cc1nc(NCc2cccc(C(=O)N[C@H](C)C#N)c2)cc[nH+]1 ZINC000348734372 391452267 /nfs/dbraw/zinc/45/22/67/391452267.db2.gz IGYYLGUZQBBLLA-LLVKDONJSA-N 1 2 295.346 1.461 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000339984809 391532840 /nfs/dbraw/zinc/53/28/40/391532840.db2.gz SJLCSKATVSNEEG-CHWSQXEVSA-N 1 2 268.401 1.814 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc(C#N)oc2C)CCO1 ZINC000437172772 391629116 /nfs/dbraw/zinc/62/91/16/391629116.db2.gz SSPOXQWVBBDISL-GFCCVEGCSA-N 1 2 291.351 1.300 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc(C#N)oc2C)CCO1 ZINC000437172772 391629120 /nfs/dbraw/zinc/62/91/20/391629120.db2.gz SSPOXQWVBBDISL-GFCCVEGCSA-N 1 2 291.351 1.300 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)NCC(C)(C)CCC#N ZINC000360428281 391660301 /nfs/dbraw/zinc/66/03/01/391660301.db2.gz WRLDNURAMUXVMD-UHFFFAOYSA-N 1 2 262.357 1.799 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCn3cccc3[C@@H]2C)C1=O ZINC000281897533 391674065 /nfs/dbraw/zinc/67/40/65/391674065.db2.gz FKQFDRXWJFHRQU-GXTWGEPZSA-N 1 2 259.353 1.652 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCn3cccc3[C@@H]2C)C1=O ZINC000281897533 391674070 /nfs/dbraw/zinc/67/40/70/391674070.db2.gz FKQFDRXWJFHRQU-GXTWGEPZSA-N 1 2 259.353 1.652 20 30 CDEDLO COc1ccccc1C[N@H+](CCO)CC1(C#N)CC1 ZINC000343314044 391760959 /nfs/dbraw/zinc/76/09/59/391760959.db2.gz MDRDUNMIXFVCDJ-UHFFFAOYSA-N 1 2 260.337 1.793 20 30 CDEDLO COc1ccccc1C[N@@H+](CCO)CC1(C#N)CC1 ZINC000343314044 391760964 /nfs/dbraw/zinc/76/09/64/391760964.db2.gz MDRDUNMIXFVCDJ-UHFFFAOYSA-N 1 2 260.337 1.793 20 30 CDEDLO Cc1cc(C#N)cc(N2CCN(Cc3[nH]cc[nH+]3)CC2)n1 ZINC000342129473 130286843 /nfs/dbraw/zinc/28/68/43/130286843.db2.gz NGMXCGOTKJMOPL-UHFFFAOYSA-N 1 2 282.351 1.307 20 30 CDEDLO CC(=O)N[C@H](CC1CCC1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000329881896 391794211 /nfs/dbraw/zinc/79/42/11/391794211.db2.gz PCPOFYXCLQWLJT-ZIAGYGMSSA-N 1 2 297.399 1.809 20 30 CDEDLO CC(=O)N[C@H](CC1CCC1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000329881896 391794214 /nfs/dbraw/zinc/79/42/14/391794214.db2.gz PCPOFYXCLQWLJT-ZIAGYGMSSA-N 1 2 297.399 1.809 20 30 CDEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1COc2ccccc2O1 ZINC000330324326 391829253 /nfs/dbraw/zinc/82/92/53/391829253.db2.gz UCIIQIOOUIPHSO-RISCZKNCSA-N 1 2 299.330 1.994 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(F)cc1F ZINC000266894447 392093588 /nfs/dbraw/zinc/09/35/88/392093588.db2.gz DULVKVRSMKYKJB-UHFFFAOYSA-N 1 2 252.264 1.858 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(F)cc1F ZINC000266894447 392093597 /nfs/dbraw/zinc/09/35/97/392093597.db2.gz DULVKVRSMKYKJB-UHFFFAOYSA-N 1 2 252.264 1.858 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000343070857 392089819 /nfs/dbraw/zinc/08/98/19/392089819.db2.gz IUQOLPBKEGQHGM-LLVKDONJSA-N 1 2 287.354 1.972 20 30 CDEDLO CCN(C)C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000263704047 131312985 /nfs/dbraw/zinc/31/29/85/131312985.db2.gz LZBCVNZRMRLZFU-UHFFFAOYSA-N 1 2 286.379 1.159 20 30 CDEDLO CC1(C)C[N@H+](CCNc2ncc(C#N)cc2F)CCO1 ZINC000413108340 392825206 /nfs/dbraw/zinc/82/52/06/392825206.db2.gz LSDLMFLWLJAAEZ-UHFFFAOYSA-N 1 2 278.331 1.615 20 30 CDEDLO CC1(C)C[N@@H+](CCNc2ncc(C#N)cc2F)CCO1 ZINC000413108340 392825214 /nfs/dbraw/zinc/82/52/14/392825214.db2.gz LSDLMFLWLJAAEZ-UHFFFAOYSA-N 1 2 278.331 1.615 20 30 CDEDLO N#Cc1cccc(Cl)c1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000269318523 132154846 /nfs/dbraw/zinc/15/48/46/132154846.db2.gz GEUMXTHZEZOATJ-GFCCVEGCSA-N 1 2 295.770 1.317 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000281957640 393162866 /nfs/dbraw/zinc/16/28/66/393162866.db2.gz AWVNHFIYZPXBSN-ZDUSSCGKSA-N 1 2 294.376 1.186 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000281957640 393162870 /nfs/dbraw/zinc/16/28/70/393162870.db2.gz AWVNHFIYZPXBSN-ZDUSSCGKSA-N 1 2 294.376 1.186 20 30 CDEDLO C[C@@H](O)C[NH+]1CCN(c2ncc(C#N)cc2Cl)CC1 ZINC000275872654 135114425 /nfs/dbraw/zinc/11/44/25/135114425.db2.gz VRXHZCKQNLOORT-SNVBAGLBSA-N 1 2 280.759 1.109 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000177784968 139994218 /nfs/dbraw/zinc/99/42/18/139994218.db2.gz DGTJJYGNRCSPDO-UHFFFAOYSA-N 1 2 265.276 1.464 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000305720431 149145198 /nfs/dbraw/zinc/14/51/98/149145198.db2.gz JNCBXCLQKMSJCT-RISCZKNCSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000305720431 149145200 /nfs/dbraw/zinc/14/52/00/149145200.db2.gz JNCBXCLQKMSJCT-RISCZKNCSA-N 1 2 276.336 1.148 20 30 CDEDLO CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000334229577 149372215 /nfs/dbraw/zinc/37/22/15/149372215.db2.gz QKWWCJXDUMGSNS-HNNXBMFYSA-N 1 2 294.358 1.976 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(F)c(C#N)c1 ZINC000335945049 151138001 /nfs/dbraw/zinc/13/80/01/151138001.db2.gz OJEJPOCRGZAJED-UHFFFAOYSA-N 1 2 258.256 1.659 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000336152470 151315866 /nfs/dbraw/zinc/31/58/66/151315866.db2.gz XDMBLPYXDNKXSX-JTQLQIEISA-N 1 2 270.292 1.401 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNc1cccc(F)c1C#N ZINC000352639832 155319014 /nfs/dbraw/zinc/31/90/14/155319014.db2.gz MYFANEMXLATHRH-LLVKDONJSA-N 1 2 263.316 1.830 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNc1cccc(F)c1C#N ZINC000352639832 155319016 /nfs/dbraw/zinc/31/90/16/155319016.db2.gz MYFANEMXLATHRH-LLVKDONJSA-N 1 2 263.316 1.830 20 30 CDEDLO Cc1nsc(N(C)CC[NH+]2C[C@@H](C)O[C@H](C)C2)c1C#N ZINC000343094262 152029814 /nfs/dbraw/zinc/02/98/14/152029814.db2.gz JHRKNDFEAJEOTK-GHMZBOCLSA-N 1 2 294.424 1.869 20 30 CDEDLO CC[C@H]1C[N@H+](CCNc2nc(C)ccc2C#N)CCO1 ZINC000343098818 152031243 /nfs/dbraw/zinc/03/12/43/152031243.db2.gz LJFZAFKEMSESGW-AWEZNQCLSA-N 1 2 274.368 1.784 20 30 CDEDLO CC[C@H]1C[N@@H+](CCNc2nc(C)ccc2C#N)CCO1 ZINC000343098818 152031245 /nfs/dbraw/zinc/03/12/45/152031245.db2.gz LJFZAFKEMSESGW-AWEZNQCLSA-N 1 2 274.368 1.784 20 30 CDEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H]1CC1(C)C ZINC000343761002 152293589 /nfs/dbraw/zinc/29/35/89/152293589.db2.gz BYTBYHQTMBCWHO-GFCCVEGCSA-N 1 2 293.392 1.457 20 30 CDEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H]1CC1(C)C ZINC000343761002 152293591 /nfs/dbraw/zinc/29/35/91/152293591.db2.gz BYTBYHQTMBCWHO-GFCCVEGCSA-N 1 2 293.392 1.457 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2csc(CC)n2)nn1 ZINC000656448510 413264452 /nfs/dbraw/zinc/26/44/52/413264452.db2.gz JJMDTXCPDHLXSQ-UHFFFAOYSA-N 1 2 275.381 1.458 20 30 CDEDLO Cc1noc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)n1 ZINC000348074422 153768714 /nfs/dbraw/zinc/76/87/14/153768714.db2.gz HRSINLWJEBHFQF-VHSXEESVSA-N 1 2 299.334 1.928 20 30 CDEDLO N#Cc1csc(C[N@H+]2CCC[C@]3(CNC(=O)C3)C2)n1 ZINC000356124806 157365579 /nfs/dbraw/zinc/36/55/79/157365579.db2.gz QJTRMOJMZQBBJI-ZDUSSCGKSA-N 1 2 276.365 1.117 20 30 CDEDLO N#Cc1csc(C[N@@H+]2CCC[C@]3(CNC(=O)C3)C2)n1 ZINC000356124806 157365584 /nfs/dbraw/zinc/36/55/84/157365584.db2.gz QJTRMOJMZQBBJI-ZDUSSCGKSA-N 1 2 276.365 1.117 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNc2c(C#N)cccc2C#N)CCO1 ZINC000362688207 159213356 /nfs/dbraw/zinc/21/33/56/159213356.db2.gz YROMGIGRYJADTO-OAHLLOKOSA-N 1 2 284.363 1.953 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNc2c(C#N)cccc2C#N)CCO1 ZINC000362688207 159213359 /nfs/dbraw/zinc/21/33/59/159213359.db2.gz YROMGIGRYJADTO-OAHLLOKOSA-N 1 2 284.363 1.953 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000020463455 171209570 /nfs/dbraw/zinc/20/95/70/171209570.db2.gz LNJWDKWLDPWEKQ-UHFFFAOYSA-N 1 2 290.363 1.648 20 30 CDEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccnc(OC)c2)nn1 ZINC000655776510 412484876 /nfs/dbraw/zinc/48/48/76/412484876.db2.gz HQELKFHKCXIEHF-NSHDSACASA-N 1 2 273.340 1.719 20 30 CDEDLO C=CC[C@H]1CCCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000660344920 413551876 /nfs/dbraw/zinc/55/18/76/413551876.db2.gz KQYREAVCNYGLGC-CABCVRRESA-N 1 2 295.427 1.705 20 30 CDEDLO C=C(C)CN(C)c1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663777135 414456959 /nfs/dbraw/zinc/45/69/59/414456959.db2.gz HRKDMSKWGAOGGC-UHFFFAOYSA-N 1 2 276.384 1.840 20 30 CDEDLO C=C(C)CN(C)c1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000663777135 414456962 /nfs/dbraw/zinc/45/69/62/414456962.db2.gz HRKDMSKWGAOGGC-UHFFFAOYSA-N 1 2 276.384 1.840 20 30 CDEDLO C=CCN1CC[C@H]([NH2+][C@H](CO)c2ccc(F)cc2F)C1=O ZINC000662162959 414543313 /nfs/dbraw/zinc/54/33/13/414543313.db2.gz JHWMCOZUBSIWJR-UONOGXRCSA-N 1 2 296.317 1.375 20 30 CDEDLO COC(=O)[C@H]([NH2+]CCOc1ccc(C#N)cc1)C(C)C ZINC000043442394 175046263 /nfs/dbraw/zinc/04/62/63/175046263.db2.gz NMESLTLWMWFNFR-CQSZACIVSA-N 1 2 276.336 1.724 20 30 CDEDLO CCOC(=O)C[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC000072073170 176312474 /nfs/dbraw/zinc/31/24/74/176312474.db2.gz BAXDUISUAOFWDL-UHFFFAOYSA-N 1 2 288.351 1.028 20 30 CDEDLO CCOC(=O)C[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC000072073170 176312475 /nfs/dbraw/zinc/31/24/75/176312475.db2.gz BAXDUISUAOFWDL-UHFFFAOYSA-N 1 2 288.351 1.028 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)NCc1ccc(OCCC)cc1 ZINC000072906196 176440469 /nfs/dbraw/zinc/44/04/69/176440469.db2.gz KAYYHHXRINMDON-UHFFFAOYSA-N 1 2 298.386 1.660 20 30 CDEDLO C=C[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001588515910 1173072129 /nfs/dbraw/zinc/07/21/29/1173072129.db2.gz KQLIITJXKAEDIZ-IUCAKERBSA-N 1 2 259.313 1.797 20 30 CDEDLO C[C@H]1CN(CC[N@H+](C)CCC(C)(C)C#N)C[C@H](C)O1 ZINC000347122814 226033876 /nfs/dbraw/zinc/03/38/76/226033876.db2.gz HJQLQGRSCYITBP-KBPBESRZSA-N 1 2 267.417 1.967 20 30 CDEDLO C[C@H]1CN(CC[N@@H+](C)CCC(C)(C)C#N)C[C@H](C)O1 ZINC000347122814 226033880 /nfs/dbraw/zinc/03/38/80/226033880.db2.gz HJQLQGRSCYITBP-KBPBESRZSA-N 1 2 267.417 1.967 20 30 CDEDLO [O-]C(NCC[C@@H]1CCOC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330202679 228064709 /nfs/dbraw/zinc/06/47/09/228064709.db2.gz ZPOSSEUFOLPQNO-NEPJUHHUSA-N 1 2 278.356 1.128 20 30 CDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]CC[C@@H]1CCOC1 ZINC000330202679 228064710 /nfs/dbraw/zinc/06/47/10/228064710.db2.gz ZPOSSEUFOLPQNO-NEPJUHHUSA-N 1 2 278.356 1.128 20 30 CDEDLO O=C(N[C@H]1CCCC[C@@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC000330237110 228075862 /nfs/dbraw/zinc/07/58/62/228075862.db2.gz ALUXROSPLFACMZ-DRZSPHRISA-N 1 2 263.341 1.706 20 30 CDEDLO N#CC1(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCC1 ZINC000335991699 228175340 /nfs/dbraw/zinc/17/53/40/228175340.db2.gz UNBHBEMNMCRNSH-LLVKDONJSA-N 1 2 258.325 1.810 20 30 CDEDLO C=CCN(C(=O)NCC[N@H+]1CCOC[C@H]1C)C1CC1 ZINC000357580267 260235038 /nfs/dbraw/zinc/23/50/38/260235038.db2.gz JOCVHNIGKSFIHL-GFCCVEGCSA-N 1 2 267.373 1.067 20 30 CDEDLO C=CCN(C(=O)NCC[N@@H+]1CCOC[C@H]1C)C1CC1 ZINC000357580267 260235040 /nfs/dbraw/zinc/23/50/40/260235040.db2.gz JOCVHNIGKSFIHL-GFCCVEGCSA-N 1 2 267.373 1.067 20 30 CDEDLO CC[C@@H](C(=O)N[C@@]1(C#N)CC1(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000427895793 260875941 /nfs/dbraw/zinc/87/59/41/260875941.db2.gz ODZKJGCVQLWMKK-DVOMOZLQSA-N 1 2 293.411 1.684 20 30 CDEDLO CC[C@@H](C(=O)N[C@@]1(C#N)CC1(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000427895793 260875943 /nfs/dbraw/zinc/87/59/43/260875943.db2.gz ODZKJGCVQLWMKK-DVOMOZLQSA-N 1 2 293.411 1.684 20 30 CDEDLO C#CCN(C(=O)NCC[N@H+]1CCOC[C@H]1C)C1CCCC1 ZINC000490802794 261210555 /nfs/dbraw/zinc/21/05/55/261210555.db2.gz FWQBJBQOVKNLEJ-CQSZACIVSA-N 1 2 293.411 1.295 20 30 CDEDLO C#CCN(C(=O)NCC[N@@H+]1CCOC[C@H]1C)C1CCCC1 ZINC000490802794 261210557 /nfs/dbraw/zinc/21/05/57/261210557.db2.gz FWQBJBQOVKNLEJ-CQSZACIVSA-N 1 2 293.411 1.295 20 30 CDEDLO C#CC[N@H+](CC#CC)CCc1nc2ccccc2c(=O)[nH]1 ZINC000490841557 261223954 /nfs/dbraw/zinc/22/39/54/261223954.db2.gz VEDUWCOFSPEFEU-UHFFFAOYSA-N 1 2 279.343 1.836 20 30 CDEDLO C#CC[N@@H+](CC#CC)CCc1nc2ccccc2c(=O)[nH]1 ZINC000490841557 261223955 /nfs/dbraw/zinc/22/39/55/261223955.db2.gz VEDUWCOFSPEFEU-UHFFFAOYSA-N 1 2 279.343 1.836 20 30 CDEDLO NC(=[NH+]OCCOCC(F)F)c1ccc(F)c(F)c1 ZINC000189259767 262169589 /nfs/dbraw/zinc/16/95/89/262169589.db2.gz SFYYIKVXYSAYTP-UHFFFAOYSA-N 1 2 280.221 1.883 20 30 CDEDLO C=CCSCCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000364267449 262192532 /nfs/dbraw/zinc/19/25/32/262192532.db2.gz LRBUPNRIVFNIFC-CQSZACIVSA-N 1 2 298.452 1.523 20 30 CDEDLO C=CCSCCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000364267449 262192533 /nfs/dbraw/zinc/19/25/33/262192533.db2.gz LRBUPNRIVFNIFC-CQSZACIVSA-N 1 2 298.452 1.523 20 30 CDEDLO C=CC[C@@H](CO)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000185915604 262311060 /nfs/dbraw/zinc/31/10/60/262311060.db2.gz AUVQSBXNXRVQJX-ZDUSSCGKSA-N 1 2 271.320 1.539 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CC[S@](=O)C1 ZINC000277578294 263042081 /nfs/dbraw/zinc/04/20/81/263042081.db2.gz VPLOANLPZNGUIP-XCLFUZPHSA-N 1 2 292.404 1.789 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CC[S@](=O)C1 ZINC000277578294 263042082 /nfs/dbraw/zinc/04/20/82/263042082.db2.gz VPLOANLPZNGUIP-XCLFUZPHSA-N 1 2 292.404 1.789 20 30 CDEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)CC#N ZINC000279624897 263056469 /nfs/dbraw/zinc/05/64/69/263056469.db2.gz BDCSUCRFRZIIFT-UHFFFAOYSA-N 1 2 278.262 1.605 20 30 CDEDLO N#CC1CCC(CNC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000282938172 263079762 /nfs/dbraw/zinc/07/97/62/263079762.db2.gz GMNDYYPZHWKGGX-UHFFFAOYSA-N 1 2 289.383 1.902 20 30 CDEDLO NC(=[NH+]OCc1ccc(F)cc1F)[C@@H]1CCCO1 ZINC000283760901 263083991 /nfs/dbraw/zinc/08/39/91/263083991.db2.gz AYLOIEAXZQDOAB-NSHDSACASA-N 1 2 256.252 1.933 20 30 CDEDLO Cc1nc2sccn2c(=O)c1CC[N@H+](C)CCC#N ZINC000286556102 263098797 /nfs/dbraw/zinc/09/87/97/263098797.db2.gz VENUOSDHFQUFQF-UHFFFAOYSA-N 1 2 276.365 1.452 20 30 CDEDLO Cc1nc2sccn2c(=O)c1CC[N@@H+](C)CCC#N ZINC000286556102 263098798 /nfs/dbraw/zinc/09/87/98/263098798.db2.gz VENUOSDHFQUFQF-UHFFFAOYSA-N 1 2 276.365 1.452 20 30 CDEDLO O=S1(=O)CCC[C@@H](C/[NH+]=C/c2ccccc2O)C1 ZINC000287301934 263101603 /nfs/dbraw/zinc/10/16/03/263101603.db2.gz SYPOUZHLCGEIHP-LUHPIMIVSA-N 1 2 267.350 1.636 20 30 CDEDLO Cc1cccn2cc(CNC(=O)CCCC#N)[nH+]c12 ZINC000291719436 263125045 /nfs/dbraw/zinc/12/50/45/263125045.db2.gz PPWMYFOYPUIXEG-UHFFFAOYSA-N 1 2 256.309 1.953 20 30 CDEDLO C=CCOc1cccnc1C(=O)NCc1c[nH+]c[nH]1 ZINC000342101986 263387610 /nfs/dbraw/zinc/38/76/10/263387610.db2.gz YOXUFYBSZMQSLC-UHFFFAOYSA-N 1 2 258.281 1.300 20 30 CDEDLO C=CCOc1cccnc1C(=O)NCc1c[nH]c[nH+]1 ZINC000342101986 263387612 /nfs/dbraw/zinc/38/76/12/263387612.db2.gz YOXUFYBSZMQSLC-UHFFFAOYSA-N 1 2 258.281 1.300 20 30 CDEDLO Cc1[nH]c(C(=O)NCCCN2CCCCC2=O)c[nH+]1 ZINC000330452385 263939650 /nfs/dbraw/zinc/93/96/50/263939650.db2.gz KTWPEBBFKJDTSV-UHFFFAOYSA-N 1 2 264.329 1.425 20 30 CDEDLO CCc1ocnc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330864826 264057231 /nfs/dbraw/zinc/05/72/31/264057231.db2.gz UQKMKJGMOULEGJ-SNVBAGLBSA-N 1 2 267.329 1.262 20 30 CDEDLO CCc1ocnc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330864826 264057233 /nfs/dbraw/zinc/05/72/33/264057233.db2.gz UQKMKJGMOULEGJ-SNVBAGLBSA-N 1 2 267.329 1.262 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ncc(F)cc1F ZINC000331187130 264156428 /nfs/dbraw/zinc/15/64/28/264156428.db2.gz PERCTSZKLIXXOC-VIFPVBQESA-N 1 2 285.294 1.385 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ncc(F)cc1F ZINC000331187130 264156430 /nfs/dbraw/zinc/15/64/30/264156430.db2.gz PERCTSZKLIXXOC-VIFPVBQESA-N 1 2 285.294 1.385 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000343259866 264243363 /nfs/dbraw/zinc/24/33/63/264243363.db2.gz OJIDOYWDZUAQTC-CHWSQXEVSA-N 1 2 254.374 1.568 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@H](CC)C1 ZINC000045752812 423841094 /nfs/dbraw/zinc/84/10/94/423841094.db2.gz GTHYGXSZXQSZCC-CYBMUJFWSA-N 1 2 254.374 1.522 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@H](CC)C1 ZINC000045752812 423841104 /nfs/dbraw/zinc/84/11/04/423841104.db2.gz GTHYGXSZXQSZCC-CYBMUJFWSA-N 1 2 254.374 1.522 20 30 CDEDLO C=C[C@H](CO)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000356857251 266194052 /nfs/dbraw/zinc/19/40/52/266194052.db2.gz GJXFIERPVFDELT-GFCCVEGCSA-N 1 2 257.293 1.149 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000362591353 267015242 /nfs/dbraw/zinc/01/52/42/267015242.db2.gz QQPIOBNZIFKYCD-CYBMUJFWSA-N 1 2 295.427 1.422 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000362591353 267015244 /nfs/dbraw/zinc/01/52/44/267015244.db2.gz QQPIOBNZIFKYCD-CYBMUJFWSA-N 1 2 295.427 1.422 20 30 CDEDLO CCOC[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000528725217 267142337 /nfs/dbraw/zinc/14/23/37/267142337.db2.gz SBLDNXWAWJJLTB-OAHLLOKOSA-N 1 2 260.337 1.796 20 30 CDEDLO CCOC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000528725217 267142340 /nfs/dbraw/zinc/14/23/40/267142340.db2.gz SBLDNXWAWJJLTB-OAHLLOKOSA-N 1 2 260.337 1.796 20 30 CDEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CSCC#N)C1 ZINC000119166963 267305304 /nfs/dbraw/zinc/30/53/04/267305304.db2.gz GNLWZGPRIVOGFG-GFCCVEGCSA-N 1 2 292.408 1.458 20 30 CDEDLO Cc1cc(N2CCC(CS(C)(=O)=O)CC2)c(C#N)c[nH+]1 ZINC000399380876 267332926 /nfs/dbraw/zinc/33/29/26/267332926.db2.gz IPNZXJXXLPFIFA-UHFFFAOYSA-N 1 2 293.392 1.523 20 30 CDEDLO Cc1ccn2cc(CNc3cc(C#N)ncn3)[nH+]c2c1 ZINC000525893042 268062543 /nfs/dbraw/zinc/06/25/43/268062543.db2.gz CHFMSFWONWTUSD-UHFFFAOYSA-N 1 2 264.292 1.338 20 30 CDEDLO C#C[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000185295105 277706975 /nfs/dbraw/zinc/70/69/75/277706975.db2.gz CAYALAWIRYPNAR-ZFWWWQNUSA-N 1 2 288.416 1.914 20 30 CDEDLO CC1(C)CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1C#N ZINC000336149631 278212773 /nfs/dbraw/zinc/21/27/73/278212773.db2.gz VOXQQYWIKYODNF-OLZOCXBDSA-N 1 2 286.379 1.986 20 30 CDEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cnn2c1CCCC2 ZINC000330292570 279716530 /nfs/dbraw/zinc/71/65/30/279716530.db2.gz DJFCNFKSKLNGNS-NSHDSACASA-N 1 2 285.351 1.736 20 30 CDEDLO CC[C@H]([NH2+]CCCC#N)c1cccc(-c2nn[nH]n2)c1O ZINC001590469058 1173421329 /nfs/dbraw/zinc/42/13/29/1173421329.db2.gz XPRYAOOCIZWKLO-LBPRGKRZSA-N 1 2 286.339 1.917 20 30 CDEDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)o1 ZINC000544512231 289639793 /nfs/dbraw/zinc/63/97/93/289639793.db2.gz HVXYWAPZSAGFIX-UWVGGRQHSA-N 1 2 299.334 1.928 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC(C)(C)O2)C1 ZINC000329878489 290106280 /nfs/dbraw/zinc/10/62/80/290106280.db2.gz KVRIQMGGMLODBE-GHMZBOCLSA-N 1 2 256.346 1.231 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC(C)(C)O2)C1 ZINC000329878489 290106287 /nfs/dbraw/zinc/10/62/87/290106287.db2.gz KVRIQMGGMLODBE-GHMZBOCLSA-N 1 2 256.346 1.231 20 30 CDEDLO Cc1cnc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)o1 ZINC000329383899 292919760 /nfs/dbraw/zinc/91/97/60/292919760.db2.gz RIRNJTVSZAOLAM-PWSUYJOCSA-N 1 2 294.355 1.324 20 30 CDEDLO CC[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)C[C@H](CC)O1 ZINC000563150617 293291278 /nfs/dbraw/zinc/29/12/78/293291278.db2.gz PMIWYKYVIGILCO-GASCZTMLSA-N 1 2 299.378 1.990 20 30 CDEDLO CC[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)C[C@H](CC)O1 ZINC000563150617 293291279 /nfs/dbraw/zinc/29/12/79/293291279.db2.gz PMIWYKYVIGILCO-GASCZTMLSA-N 1 2 299.378 1.990 20 30 CDEDLO CC(C)(NC(=O)Cc1cccc(C#N)c1)c1[nH]cc[nH+]1 ZINC000565107109 293524391 /nfs/dbraw/zinc/52/43/91/293524391.db2.gz RTUWUDKAKCEEQH-UHFFFAOYSA-N 1 2 268.320 1.875 20 30 CDEDLO N#Cc1ccnc(N2CC[NH+](C3CC3)CC2)c1Cl ZINC000236029177 294979209 /nfs/dbraw/zinc/97/92/09/294979209.db2.gz XFRXPISSOQNSDL-UHFFFAOYSA-N 1 2 262.744 1.891 20 30 CDEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCOC[C@@H]1C1CC1 ZINC000330301781 295385031 /nfs/dbraw/zinc/38/50/31/295385031.db2.gz NZHXPSSDMAOXTD-CHWSQXEVSA-N 1 2 290.367 1.223 20 30 CDEDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2C)ccc1C#N ZINC000300425254 301385768 /nfs/dbraw/zinc/38/57/68/301385768.db2.gz UQFCRBRTQUUMCG-GFCCVEGCSA-N 1 2 293.392 1.191 20 30 CDEDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2C)ccc1C#N ZINC000300425254 301385771 /nfs/dbraw/zinc/38/57/71/301385771.db2.gz UQFCRBRTQUUMCG-GFCCVEGCSA-N 1 2 293.392 1.191 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1COc2ccccc21 ZINC000571138847 328087673 /nfs/dbraw/zinc/08/76/73/328087673.db2.gz GDWMYDPUOCYDBO-WFASDCNBSA-N 1 2 273.336 1.123 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000412358473 328109686 /nfs/dbraw/zinc/10/96/86/328109686.db2.gz FPABJVOWGCFWHC-CJNGLKHVSA-N 1 2 296.411 1.590 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000412358473 328109687 /nfs/dbraw/zinc/10/96/87/328109687.db2.gz FPABJVOWGCFWHC-CJNGLKHVSA-N 1 2 296.411 1.590 20 30 CDEDLO C[C@H](CC#N)N(C)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000264010181 328156784 /nfs/dbraw/zinc/15/67/84/328156784.db2.gz AKOFCAFYYJCLNP-LLVKDONJSA-N 1 2 269.308 1.641 20 30 CDEDLO N#Cc1cccc(NC(=O)NCc2ccc(N)[nH+]c2)n1 ZINC001673090325 1173825953 /nfs/dbraw/zinc/82/59/53/1173825953.db2.gz CXTOEOUUJDGCCN-UHFFFAOYSA-N 1 2 268.280 1.252 20 30 CDEDLO C[N@@H+](Cc1ccccc1C#N)C[C@@H](O)C(F)(F)F ZINC000181294180 323232316 /nfs/dbraw/zinc/23/23/16/323232316.db2.gz CYVOLLACBPMKQT-LLVKDONJSA-N 1 2 258.243 1.913 20 30 CDEDLO C[N@H+](Cc1ccccc1C#N)C[C@@H](O)C(F)(F)F ZINC000181294180 323232318 /nfs/dbraw/zinc/23/23/18/323232318.db2.gz CYVOLLACBPMKQT-LLVKDONJSA-N 1 2 258.243 1.913 20 30 CDEDLO C[N@H+](CCC(F)(F)F)Cc1cnc2c(C#N)cnn2c1 ZINC000579232573 324135969 /nfs/dbraw/zinc/13/59/69/324135969.db2.gz IILMASRYRRBOJE-UHFFFAOYSA-N 1 2 283.257 1.985 20 30 CDEDLO C[N@@H+](CCC(F)(F)F)Cc1cnc2c(C#N)cnn2c1 ZINC000579232573 324135971 /nfs/dbraw/zinc/13/59/71/324135971.db2.gz IILMASRYRRBOJE-UHFFFAOYSA-N 1 2 283.257 1.985 20 30 CDEDLO N#Cc1cnn2cc(C[N@@H+]3CCO[C@@H]4CCC[C@@H]43)cnc12 ZINC000582667169 325019870 /nfs/dbraw/zinc/01/98/70/325019870.db2.gz YJINMUOGKBWZSA-UONOGXRCSA-N 1 2 283.335 1.354 20 30 CDEDLO N#Cc1cnn2cc(C[N@H+]3CCO[C@@H]4CCC[C@@H]43)cnc12 ZINC000582667169 325019872 /nfs/dbraw/zinc/01/98/72/325019872.db2.gz YJINMUOGKBWZSA-UONOGXRCSA-N 1 2 283.335 1.354 20 30 CDEDLO Cc1cc(NC(=O)C[C@H](C)n2cc[nH+]c2)ncc1C#N ZINC000583573232 325202655 /nfs/dbraw/zinc/20/26/55/325202655.db2.gz OEPNSXOMMABFPK-NSHDSACASA-N 1 2 269.308 1.470 20 30 CDEDLO C=C(C)CS(=O)(=O)NCc1c[nH+]c(C)cc1C ZINC000452044713 331052019 /nfs/dbraw/zinc/05/20/19/331052019.db2.gz RUBBTMNZOCWSAU-UHFFFAOYSA-N 1 2 254.355 1.694 20 30 CDEDLO CCc1ccc([C@@H](C#N)NC(=O)Cc2c[nH+]cn2C)cc1 ZINC000559043124 327138868 /nfs/dbraw/zinc/13/88/68/327138868.db2.gz ZFDSMPJSHPVENB-OAHLLOKOSA-N 1 2 282.347 1.906 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccsc1C(=O)OC ZINC000570291098 327581569 /nfs/dbraw/zinc/58/15/69/327581569.db2.gz HPOQCJYCWITDHX-SECBINFHSA-N 1 2 295.364 1.755 20 30 CDEDLO C=CCN1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000377615333 329020427 /nfs/dbraw/zinc/02/04/27/329020427.db2.gz NSJJWAKMFKZXHY-AWEZNQCLSA-N 1 2 270.336 1.302 20 30 CDEDLO C=C(C)C[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000181255163 329227905 /nfs/dbraw/zinc/22/79/05/329227905.db2.gz IFUXCFUWTCNDJC-UHFFFAOYSA-N 1 2 278.377 1.840 20 30 CDEDLO C=C(C)C[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000181255163 329227907 /nfs/dbraw/zinc/22/79/07/329227907.db2.gz IFUXCFUWTCNDJC-UHFFFAOYSA-N 1 2 278.377 1.840 20 30 CDEDLO N#C[C@H]1CC[C@@H](Nc2[nH+]cnc(-n3cccn3)c2N)C1 ZINC000425277027 329652563 /nfs/dbraw/zinc/65/25/63/329652563.db2.gz WVWPAGKIWMVVFP-VHSXEESVSA-N 1 2 269.312 1.349 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000580501146 330356549 /nfs/dbraw/zinc/35/65/49/330356549.db2.gz QCKZSICRNNMKTO-NVXWUHKLSA-N 1 2 299.374 1.953 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000451397703 331027536 /nfs/dbraw/zinc/02/75/36/331027536.db2.gz CXTBXQPRKGZOPX-KGLIPLIRSA-N 1 2 289.379 1.769 20 30 CDEDLO N#CC1(CN(CC[NH+]2CCOCC2)Cc2ccco2)CC1 ZINC000452045813 331051997 /nfs/dbraw/zinc/05/19/97/331051997.db2.gz GUTSTUPCCODOBZ-UHFFFAOYSA-N 1 2 289.379 1.718 20 30 CDEDLO C=CCC[C@H](NC(=O)CCc1[nH]cc[nH+]1)C(=O)OCC ZINC000456615901 331196882 /nfs/dbraw/zinc/19/68/82/331196882.db2.gz XEBHMPKYRHUHRX-NSHDSACASA-N 1 2 279.340 1.356 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000456777611 331203131 /nfs/dbraw/zinc/20/31/31/331203131.db2.gz NHJHZJOJBVNOMV-MRXNPFEDSA-N 1 2 299.374 1.988 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)NCc1c[nH+]ccc1OC ZINC000458809614 331260624 /nfs/dbraw/zinc/26/06/24/331260624.db2.gz JUDOMAIFVVTJFO-GFCCVEGCSA-N 1 2 279.340 1.217 20 30 CDEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)N[C@@H](C(C)=O)C(C)C ZINC000489399192 332050254 /nfs/dbraw/zinc/05/02/54/332050254.db2.gz IXCJMIFDQBUDTB-UKRRQHHQSA-N 1 2 266.385 1.757 20 30 CDEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@@H](C(C)=O)C(C)C ZINC000489399192 332050256 /nfs/dbraw/zinc/05/02/56/332050256.db2.gz IXCJMIFDQBUDTB-UKRRQHHQSA-N 1 2 266.385 1.757 20 30 CDEDLO C#CC[NH+]1CCN(Cn2ccc(-c3ccccc3)n2)CC1 ZINC000490638622 332099182 /nfs/dbraw/zinc/09/91/82/332099182.db2.gz YVCJCVCXWPUCLL-UHFFFAOYSA-N 1 2 280.375 1.758 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CSC(CC)CC)CC1 ZINC000490800498 332116007 /nfs/dbraw/zinc/11/60/07/332116007.db2.gz RNCPTXJYILFLHT-UHFFFAOYSA-N 1 2 268.426 1.686 20 30 CDEDLO C#C[C@H](CC)NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000491145708 332156094 /nfs/dbraw/zinc/15/60/94/332156094.db2.gz LTQMBZGXKJCHJL-CYBMUJFWSA-N 1 2 283.335 1.860 20 30 CDEDLO C#CC[N@H+](CC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491299067 332185157 /nfs/dbraw/zinc/18/51/57/332185157.db2.gz XYTMKWLMTCZLRI-CQSZACIVSA-N 1 2 267.394 1.609 20 30 CDEDLO C#CC[N@@H+](CC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491299067 332185158 /nfs/dbraw/zinc/18/51/58/332185158.db2.gz XYTMKWLMTCZLRI-CQSZACIVSA-N 1 2 267.394 1.609 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000491340628 332193861 /nfs/dbraw/zinc/19/38/61/332193861.db2.gz ZBGAERBGSDZEQT-CORIIIEPSA-N 1 2 262.353 1.067 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000491340628 332193862 /nfs/dbraw/zinc/19/38/62/332193862.db2.gz ZBGAERBGSDZEQT-CORIIIEPSA-N 1 2 262.353 1.067 20 30 CDEDLO C#C[C@@H](NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC000491396024 332204577 /nfs/dbraw/zinc/20/45/77/332204577.db2.gz WHMOLGYSXZMLNG-UONOGXRCSA-N 1 2 281.400 1.006 20 30 CDEDLO C#C[C@@H](CC)NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000491430674 332210513 /nfs/dbraw/zinc/21/05/13/332210513.db2.gz ZENLWHAKZYCGON-NWDGAFQWSA-N 1 2 260.341 1.582 20 30 CDEDLO C#CCN(C)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000491625184 332249303 /nfs/dbraw/zinc/24/93/03/332249303.db2.gz HOZCHYZQDSBFTI-UHFFFAOYSA-N 1 2 267.332 1.566 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](O)COc1ccc(Cl)cc1 ZINC000491633131 332254885 /nfs/dbraw/zinc/25/48/85/332254885.db2.gz PMFOCMOJWVLIMR-KGLIPLIRSA-N 1 2 295.766 1.414 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1 ZINC000491633131 332254886 /nfs/dbraw/zinc/25/48/86/332254886.db2.gz PMFOCMOJWVLIMR-KGLIPLIRSA-N 1 2 295.766 1.414 20 30 CDEDLO C#C[C@@H](CCC)Nc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000491697429 332292227 /nfs/dbraw/zinc/29/22/27/332292227.db2.gz GKQKBKLBVYFFRF-NSHDSACASA-N 1 2 293.334 1.819 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000491783710 332347055 /nfs/dbraw/zinc/34/70/55/332347055.db2.gz RNWYOGNYIRIWCJ-LBPRGKRZSA-N 1 2 253.305 1.966 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)OCC ZINC000491810559 332363344 /nfs/dbraw/zinc/36/33/44/332363344.db2.gz IXOZIEVUHBQMKT-GFCCVEGCSA-N 1 2 288.347 1.755 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1C(=O)OCC ZINC000491810559 332363345 /nfs/dbraw/zinc/36/33/45/332363345.db2.gz IXOZIEVUHBQMKT-GFCCVEGCSA-N 1 2 288.347 1.755 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)[C@@H](C)N(c2ccccc2)C1=O ZINC000491817878 332368359 /nfs/dbraw/zinc/36/83/59/332368359.db2.gz JRQYJPQBFIDLTR-QWHCGFSZSA-N 1 2 285.347 1.755 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)[C@@H](C)N(c2ccccc2)C1=O ZINC000491817878 332368361 /nfs/dbraw/zinc/36/83/61/332368361.db2.gz JRQYJPQBFIDLTR-QWHCGFSZSA-N 1 2 285.347 1.755 20 30 CDEDLO COc1ccc(/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000493164392 332428917 /nfs/dbraw/zinc/42/89/17/332428917.db2.gz LLPGQWYCVSBSHX-JCVNQNCUSA-N 1 2 287.363 1.668 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCc1cc(F)cc(F)c1 ZINC000192219971 333232604 /nfs/dbraw/zinc/23/26/04/333232604.db2.gz PGQMUALXRCGXAL-UHFFFAOYSA-N 1 2 252.264 1.146 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCc1cc(F)cc(F)c1 ZINC000192219971 333232603 /nfs/dbraw/zinc/23/26/03/333232603.db2.gz PGQMUALXRCGXAL-UHFFFAOYSA-N 1 2 252.264 1.146 20 30 CDEDLO C[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)[C@@H](C(N)=O)C1 ZINC000249535136 334335927 /nfs/dbraw/zinc/33/59/27/334335927.db2.gz CFUYXJQWPUDKLE-IUODEOHRSA-N 1 2 274.339 1.763 20 30 CDEDLO C[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H](C(N)=O)C1 ZINC000249535136 334335928 /nfs/dbraw/zinc/33/59/28/334335928.db2.gz CFUYXJQWPUDKLE-IUODEOHRSA-N 1 2 274.339 1.763 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc2ccncc2s1 ZINC000576403325 335199634 /nfs/dbraw/zinc/19/96/34/335199634.db2.gz UAWOIFSIIOHMAH-CQSZACIVSA-N 1 2 288.376 1.870 20 30 CDEDLO Cc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1C ZINC000576884271 335260284 /nfs/dbraw/zinc/26/02/84/335260284.db2.gz NWQLFCYTPFFIKJ-HNNXBMFYSA-N 1 2 259.353 1.877 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000185138942 335947217 /nfs/dbraw/zinc/94/72/17/335947217.db2.gz CEOIHHHXSKPGSM-ZJUUUORDSA-N 1 2 280.372 1.708 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H](C)CC)C1 ZINC001754569188 1159280327 /nfs/dbraw/zinc/28/03/27/1159280327.db2.gz NXLRVNIKCACYSE-LBPRGKRZSA-N 1 2 254.374 1.378 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N(C)C1C[NH+](CCn2cccn2)C1 ZINC001754580573 1159289435 /nfs/dbraw/zinc/28/94/35/1159289435.db2.gz FCOQMSOKVARWQX-MRXNPFEDSA-N 1 2 290.411 1.628 20 30 CDEDLO C=C[C@@](C)(O)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000669111163 482474141 /nfs/dbraw/zinc/47/41/41/482474141.db2.gz GBOLDHHJVSADQC-MRXNPFEDSA-N 1 2 285.347 1.700 20 30 CDEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000677479839 482682797 /nfs/dbraw/zinc/68/27/97/482682797.db2.gz SLNAJFYYCHZERO-AWEZNQCLSA-N 1 2 286.375 1.952 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cncn2C)[C@H]1C ZINC001088712100 1160723270 /nfs/dbraw/zinc/72/32/70/1160723270.db2.gz RMYBWZKJVNDOPX-MNOVXSKESA-N 1 2 282.775 1.365 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cncn2C)[C@H]1C ZINC001088712100 1160723275 /nfs/dbraw/zinc/72/32/75/1160723275.db2.gz RMYBWZKJVNDOPX-MNOVXSKESA-N 1 2 282.775 1.365 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)noc1CC ZINC001085965728 1161956787 /nfs/dbraw/zinc/95/67/87/1161956787.db2.gz QRDPAVCKHPRTOS-CYBMUJFWSA-N 1 2 289.379 1.715 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)noc1CC ZINC001085965728 1161956791 /nfs/dbraw/zinc/95/67/91/1161956791.db2.gz QRDPAVCKHPRTOS-CYBMUJFWSA-N 1 2 289.379 1.715 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](OC)[C@@H](C)CC)CC1 ZINC001113043769 1162083558 /nfs/dbraw/zinc/08/35/58/1162083558.db2.gz CWBWUFZOXSBUIG-UONOGXRCSA-N 1 2 268.401 1.768 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](OC)[C@@H](C)CC)CC1 ZINC001113043767 1162083595 /nfs/dbraw/zinc/08/35/95/1162083595.db2.gz CWBWUFZOXSBUIG-KBPBESRZSA-N 1 2 268.401 1.768 20 30 CDEDLO C[C@H](C(=O)Nc1nccs1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329918920 534299229 /nfs/dbraw/zinc/29/92/29/534299229.db2.gz GFCJCSWVIZNNDB-MXWKQRLJSA-N 1 2 296.396 1.134 20 30 CDEDLO C[C@H](C(=O)Nc1nccs1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329918920 534299232 /nfs/dbraw/zinc/29/92/32/534299232.db2.gz GFCJCSWVIZNNDB-MXWKQRLJSA-N 1 2 296.396 1.134 20 30 CDEDLO C#CC[NH+]1CCN(CC(=O)Nc2ccccc2CC)CC1 ZINC000061798339 518270856 /nfs/dbraw/zinc/27/08/56/518270856.db2.gz XRDYZMKQFBIPQX-UHFFFAOYSA-N 1 2 285.391 1.438 20 30 CDEDLO C=C(Br)C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000052441401 518581781 /nfs/dbraw/zinc/58/17/81/518581781.db2.gz UCTDSDOUIDQXFA-UHFFFAOYSA-N 1 2 287.201 1.886 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](CC(C)C)OC)CC1 ZINC001113317917 1162153180 /nfs/dbraw/zinc/15/31/80/1162153180.db2.gz HCODPKHZTYXYQT-ZDUSSCGKSA-N 1 2 254.374 1.378 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2nc(C)oc2C)CC1 ZINC001113451868 1162179012 /nfs/dbraw/zinc/17/90/12/1162179012.db2.gz PCHNBRAMFUTKLA-UHFFFAOYSA-N 1 2 293.367 1.252 20 30 CDEDLO CC#CCCNC(=O)[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000346167390 526333895 /nfs/dbraw/zinc/33/38/95/526333895.db2.gz PDIRZADEDBAJBE-KBPBESRZSA-N 1 2 271.364 1.684 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCC[N@@H+]1CCO[C@H](CC)C1)OCC ZINC000347628649 526746757 /nfs/dbraw/zinc/74/67/57/526746757.db2.gz ZBHFBDNLEPPGQB-HUUCEWRRSA-N 1 2 298.427 1.585 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCC[N@H+]1CCO[C@H](CC)C1)OCC ZINC000347628649 526746763 /nfs/dbraw/zinc/74/67/63/526746763.db2.gz ZBHFBDNLEPPGQB-HUUCEWRRSA-N 1 2 298.427 1.585 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000356035693 527551534 /nfs/dbraw/zinc/55/15/34/527551534.db2.gz JNIQIOMMXRKWOL-OAHLLOKOSA-N 1 2 288.351 1.895 20 30 CDEDLO CCC[C@@H](C)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000346487469 528871843 /nfs/dbraw/zinc/87/18/43/528871843.db2.gz OYMYZTVGFSZHNN-OAHLLOKOSA-N 1 2 295.427 1.887 20 30 CDEDLO C[N@H+](Cc1cccc(F)c1C#N)C1(C(N)=O)CCCC1 ZINC000428289856 536476771 /nfs/dbraw/zinc/47/67/71/536476771.db2.gz KLLMNHNCXALCRT-UHFFFAOYSA-N 1 2 275.327 1.927 20 30 CDEDLO C[N@@H+](Cc1cccc(F)c1C#N)C1(C(N)=O)CCCC1 ZINC000428289856 536476773 /nfs/dbraw/zinc/47/67/73/536476773.db2.gz KLLMNHNCXALCRT-UHFFFAOYSA-N 1 2 275.327 1.927 20 30 CDEDLO Cc1cnc([C@@H](C)NC(=O)N2CCn3cc[nH+]c3C2)o1 ZINC000329296344 538556561 /nfs/dbraw/zinc/55/65/61/538556561.db2.gz SWHJMZWVLINKQU-SNVBAGLBSA-N 1 2 275.312 1.670 20 30 CDEDLO C[C@H](C(=O)Nc1nc[nH]n1)[N@@H+]1CCc2ccccc2C1 ZINC000329436471 538569086 /nfs/dbraw/zinc/56/90/86/538569086.db2.gz JHLOHLGUNDSVMY-SNVBAGLBSA-N 1 2 271.324 1.840 20 30 CDEDLO C[C@H](C(=O)Nc1nc[nH]n1)[N@H+]1CCc2ccccc2C1 ZINC000329436471 538569093 /nfs/dbraw/zinc/56/90/93/538569093.db2.gz JHLOHLGUNDSVMY-SNVBAGLBSA-N 1 2 271.324 1.840 20 30 CDEDLO Cc1cc(NCCNc2ncccc2C#N)nc[nH+]1 ZINC000732920469 575098869 /nfs/dbraw/zinc/09/88/69/575098869.db2.gz VPUKMIMXDGVBJJ-UHFFFAOYSA-N 1 2 254.297 1.576 20 30 CDEDLO C#C[C@H]([NH2+]Cc1nncn1-c1ccccc1)[C@H]1CCCO1 ZINC000769787812 575383853 /nfs/dbraw/zinc/38/38/53/575383853.db2.gz BDPOXTWYLPKMEY-LSDHHAIUSA-N 1 2 282.347 1.538 20 30 CDEDLO C[C@H](C#N)CNN=C1CCN(c2cccc[nH+]2)CC1 ZINC000771103741 575549299 /nfs/dbraw/zinc/54/92/99/575549299.db2.gz PSVLTDZGXTXCTO-GFCCVEGCSA-N 1 2 257.341 1.787 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)N[C@H](CCCC)C1=O)C1CC1 ZINC000771640103 575599880 /nfs/dbraw/zinc/59/98/80/575599880.db2.gz LIVSREOVABYUHS-GFCCVEGCSA-N 1 2 265.357 1.705 20 30 CDEDLO C=CC[N@H+](CN1C(=O)N[C@H](CCCC)C1=O)C1CC1 ZINC000771640103 575599884 /nfs/dbraw/zinc/59/98/84/575599884.db2.gz LIVSREOVABYUHS-GFCCVEGCSA-N 1 2 265.357 1.705 20 30 CDEDLO CS(=O)(=O)c1ccccc1N[NH+]=Cc1cccnc1N ZINC000764691642 575934180 /nfs/dbraw/zinc/93/41/80/575934180.db2.gz FLTSJRYJDMCTOX-UHFFFAOYSA-N 1 2 290.348 1.513 20 30 CDEDLO Cc1ncc(CO)c(/C=[NH+]/CCCC(=O)OC(C)C)c1O ZINC000764889598 575960874 /nfs/dbraw/zinc/96/08/74/575960874.db2.gz UKKFKXYOTFLLEV-LZYBPNLTSA-N 1 2 294.351 1.739 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2ccc3[nH]ccc3c2)CC1 ZINC000765806478 576057757 /nfs/dbraw/zinc/05/77/57/576057757.db2.gz VRHJXHWSXMTHOT-XQRVVYSFSA-N 1 2 293.370 1.959 20 30 CDEDLO C#Cc1ccc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC000767534603 576202233 /nfs/dbraw/zinc/20/22/33/576202233.db2.gz PUGHWSWPTRETDS-OKILXGFUSA-N 1 2 286.331 1.083 20 30 CDEDLO C#Cc1ccc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC000767534603 576202235 /nfs/dbraw/zinc/20/22/35/576202235.db2.gz PUGHWSWPTRETDS-OKILXGFUSA-N 1 2 286.331 1.083 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000768386463 576278887 /nfs/dbraw/zinc/27/88/87/576278887.db2.gz LMHIYFWTEBMVNA-HNNXBMFYSA-N 1 2 295.346 1.303 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000768386463 576278889 /nfs/dbraw/zinc/27/88/89/576278889.db2.gz LMHIYFWTEBMVNA-HNNXBMFYSA-N 1 2 295.346 1.303 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCS2)CC1 ZINC000743319242 576632578 /nfs/dbraw/zinc/63/25/78/576632578.db2.gz HOROUXQNVKOCJV-LBPRGKRZSA-N 1 2 252.383 1.050 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1 ZINC000744366731 576677655 /nfs/dbraw/zinc/67/76/55/576677655.db2.gz ZRHJJTOPGCIVMD-UHFFFAOYSA-N 1 2 286.379 1.070 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(OC(C)C)cc2)CC1 ZINC000744423052 576680125 /nfs/dbraw/zinc/68/01/25/576680125.db2.gz YBHIAHKLNCOTBT-UHFFFAOYSA-N 1 2 286.375 1.865 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)cc(C)n1 ZINC000746959108 576853313 /nfs/dbraw/zinc/85/33/13/576853313.db2.gz DNSLVMXJTFKMFU-ZDUSSCGKSA-N 1 2 257.337 1.735 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)cc(C)n1 ZINC000746959108 576853314 /nfs/dbraw/zinc/85/33/14/576853314.db2.gz DNSLVMXJTFKMFU-ZDUSSCGKSA-N 1 2 257.337 1.735 20 30 CDEDLO N#C[C@]1(F)CC[N@H+](CC2CCC3(CC2)OCCO3)C1 ZINC000753769604 576858899 /nfs/dbraw/zinc/85/88/99/576858899.db2.gz MXQBMMXHCNTDMO-CYBMUJFWSA-N 1 2 268.332 1.857 20 30 CDEDLO N#C[C@]1(F)CC[N@@H+](CC2CCC3(CC2)OCCO3)C1 ZINC000753769604 576858900 /nfs/dbraw/zinc/85/89/00/576858900.db2.gz MXQBMMXHCNTDMO-CYBMUJFWSA-N 1 2 268.332 1.857 20 30 CDEDLO C#CCNC(=O)C[N@@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000747531907 576874515 /nfs/dbraw/zinc/87/45/15/576874515.db2.gz GAFDQVKMTNRCMI-FKIZINRSSA-N 1 2 292.404 1.166 20 30 CDEDLO C#CCNC(=O)C[N@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000747531907 576874516 /nfs/dbraw/zinc/87/45/16/576874516.db2.gz GAFDQVKMTNRCMI-FKIZINRSSA-N 1 2 292.404 1.166 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(CCCC)[nH]n1 ZINC000747591624 576876320 /nfs/dbraw/zinc/87/63/20/576876320.db2.gz CLVXVRRAHYAKLM-ZDUSSCGKSA-N 1 2 274.368 1.788 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(CCCC)[nH]n1 ZINC000747591624 576876322 /nfs/dbraw/zinc/87/63/22/576876322.db2.gz CLVXVRRAHYAKLM-ZDUSSCGKSA-N 1 2 274.368 1.788 20 30 CDEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2ccccc2C#N)C1 ZINC000748460104 576913517 /nfs/dbraw/zinc/91/35/17/576913517.db2.gz ROAXGQVWNHNIPB-CQSZACIVSA-N 1 2 274.320 1.322 20 30 CDEDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2ccccc2C#N)C1 ZINC000748460104 576913519 /nfs/dbraw/zinc/91/35/19/576913519.db2.gz ROAXGQVWNHNIPB-CQSZACIVSA-N 1 2 274.320 1.322 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2cnc3ccccc3c2C)CC1 ZINC000748711075 576921802 /nfs/dbraw/zinc/92/18/02/576921802.db2.gz HXRBSKPDKJSIRK-UHFFFAOYSA-N 1 2 293.370 1.934 20 30 CDEDLO COc1cccc(O)c1/C=[NH+]/CCCNC(=O)C(C)C ZINC000755376955 576942182 /nfs/dbraw/zinc/94/21/82/576942182.db2.gz UUSDMPGHWUMYGZ-MHWRWJLKSA-N 1 2 278.352 1.982 20 30 CDEDLO CCn1cc[nH+]c1CN=Nc1cncc(Cl)n1 ZINC000755639650 576953278 /nfs/dbraw/zinc/95/32/78/576953278.db2.gz KCMKNNQSMSHYGB-UHFFFAOYSA-N 1 2 250.693 1.792 20 30 CDEDLO COCCON=Cc1c(-n2cc[nH+]c2)nc2ccccn12 ZINC000755760057 576959419 /nfs/dbraw/zinc/95/94/19/576959419.db2.gz ZVEMKKPSHNYFLJ-UHFFFAOYSA-N 1 2 285.307 1.517 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCS1 ZINC000751920524 577074701 /nfs/dbraw/zinc/07/47/01/577074701.db2.gz WKTQWAHETKMBAR-STQMWFEESA-N 1 2 266.410 1.486 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCS1 ZINC000751920524 577074702 /nfs/dbraw/zinc/07/47/02/577074702.db2.gz WKTQWAHETKMBAR-STQMWFEESA-N 1 2 266.410 1.486 20 30 CDEDLO COCC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758224614 577085529 /nfs/dbraw/zinc/08/55/29/577085529.db2.gz KDQFYOVWISHWJI-UHFFFAOYSA-N 1 2 261.325 1.036 20 30 CDEDLO C=CCN(CC(=O)OCC)c1cc(-n2cc[nH+]c2)ncn1 ZINC000759280154 577166127 /nfs/dbraw/zinc/16/61/27/577166127.db2.gz WDLSVCZIFMSWLI-UHFFFAOYSA-N 1 2 287.323 1.218 20 30 CDEDLO O=C1C(=Cc2[nH]cc[nH+]2)CCc2cc(-c3nn[nH]n3)ccc21 ZINC000823504680 599116957 /nfs/dbraw/zinc/11/69/57/599116957.db2.gz STHXFIBAGZGUGZ-NTMALXAHSA-N 1 2 292.302 1.802 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000890647583 617247774 /nfs/dbraw/zinc/24/77/74/617247774.db2.gz HCMQVMZVVMVOOS-QWHCGFSZSA-N 1 2 257.337 1.460 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000890655853 617252972 /nfs/dbraw/zinc/25/29/72/617252972.db2.gz RBGNLGQTKHKBEQ-IKESIWSLSA-N 1 2 276.380 1.279 20 30 CDEDLO C#C[C@@H]1CCCCN1C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000890655854 617252994 /nfs/dbraw/zinc/25/29/94/617252994.db2.gz RBGNLGQTKHKBEQ-OKFGHLOFSA-N 1 2 276.380 1.279 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2nc(C)oc2C)C1 ZINC000956996999 612993403 /nfs/dbraw/zinc/99/34/03/612993403.db2.gz IQRMCCDZTFISAK-UHFFFAOYSA-N 1 2 275.352 1.461 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2occ3c2CCCC3)CC1 ZINC000957465112 613011235 /nfs/dbraw/zinc/01/12/35/613011235.db2.gz YTEFPDOFWZTDAT-UHFFFAOYSA-N 1 2 286.375 1.940 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2snnc2CC)C1 ZINC000967279278 613218401 /nfs/dbraw/zinc/21/84/01/613218401.db2.gz JWOXCLOXGNSUGK-PWSUYJOCSA-N 1 2 292.408 1.174 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2snnc2CC)C1 ZINC000967279278 613218403 /nfs/dbraw/zinc/21/84/03/613218403.db2.gz JWOXCLOXGNSUGK-PWSUYJOCSA-N 1 2 292.408 1.174 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(F)s2)C1 ZINC000968691078 613220136 /nfs/dbraw/zinc/22/01/36/613220136.db2.gz CTJSMCHJTNEFDG-GHMZBOCLSA-N 1 2 280.368 1.961 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(F)s2)C1 ZINC000968691078 613220137 /nfs/dbraw/zinc/22/01/37/613220137.db2.gz CTJSMCHJTNEFDG-GHMZBOCLSA-N 1 2 280.368 1.961 20 30 CDEDLO C=C(C)CC[NH+]1CC(N(CC)C(=O)c2snnc2C)C1 ZINC000949654171 613247639 /nfs/dbraw/zinc/24/76/39/613247639.db2.gz PKUSCIDDCTWQTQ-UHFFFAOYSA-N 1 2 294.424 1.959 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(OC)ns2)C1 ZINC000966196923 613248247 /nfs/dbraw/zinc/24/82/47/613248247.db2.gz JNADNRBIEVJLBE-QWRGUYRKSA-N 1 2 293.392 1.225 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(OC)ns2)C1 ZINC000966196923 613248248 /nfs/dbraw/zinc/24/82/48/613248248.db2.gz JNADNRBIEVJLBE-QWRGUYRKSA-N 1 2 293.392 1.225 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CC[C@H](OC)C2)C1 ZINC000950649033 613295358 /nfs/dbraw/zinc/29/53/58/613295358.db2.gz DDLIZEKFYGYTJA-ZFWWWQNUSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc3nc[nH]c3n2)C1 ZINC000950608609 613296420 /nfs/dbraw/zinc/29/64/20/613296420.db2.gz AFAPTLKPGBWKFW-UHFFFAOYSA-N 1 2 299.378 1.680 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2nccn3ccnc23)C1 ZINC000951777043 613297886 /nfs/dbraw/zinc/29/78/86/613297886.db2.gz UMBCYHIRYRENJC-UHFFFAOYSA-N 1 2 299.378 1.452 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc3n(n2)CCC3)CC1 ZINC000948657775 613320565 /nfs/dbraw/zinc/32/05/65/613320565.db2.gz NWHOVOLPVIVHBZ-UHFFFAOYSA-N 1 2 274.368 1.163 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2cncn2C)C1 ZINC000972731306 613368414 /nfs/dbraw/zinc/36/84/14/613368414.db2.gz DUBQQSPFGJYPNM-GFCCVEGCSA-N 1 2 296.802 1.248 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2cncn2C)C1 ZINC000972731306 613368415 /nfs/dbraw/zinc/36/84/15/613368415.db2.gz DUBQQSPFGJYPNM-GFCCVEGCSA-N 1 2 296.802 1.248 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)c2cc(C)n[nH]2)C1 ZINC000971148765 613370625 /nfs/dbraw/zinc/37/06/25/613370625.db2.gz DRVMLOYDIUUENI-NSHDSACASA-N 1 2 282.775 1.617 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)c2cc(C)n[nH]2)C1 ZINC000971148765 613370626 /nfs/dbraw/zinc/37/06/26/613370626.db2.gz DRVMLOYDIUUENI-NSHDSACASA-N 1 2 282.775 1.617 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 ZINC000971148765 613370627 /nfs/dbraw/zinc/37/06/27/613370627.db2.gz DRVMLOYDIUUENI-NSHDSACASA-N 1 2 282.775 1.617 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 ZINC000971148765 613370628 /nfs/dbraw/zinc/37/06/28/613370628.db2.gz DRVMLOYDIUUENI-NSHDSACASA-N 1 2 282.775 1.617 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cccn2C)C1 ZINC000969319858 613371724 /nfs/dbraw/zinc/37/17/24/613371724.db2.gz NQMXUJRXHCYJQF-LLVKDONJSA-N 1 2 281.787 1.828 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2=CCOCC2)C1 ZINC000969545951 613371947 /nfs/dbraw/zinc/37/19/47/613371947.db2.gz HDIUALTYJYMBJJ-NSHDSACASA-N 1 2 284.787 1.522 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2nc(C)c[nH]2)C1 ZINC000970561022 613372549 /nfs/dbraw/zinc/37/25/49/613372549.db2.gz RWOFAHVVTGHBLA-JTQLQIEISA-N 1 2 282.775 1.521 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC000968400634 613375774 /nfs/dbraw/zinc/37/57/74/613375774.db2.gz RUFLPCHPPZFNQK-BXKDBHETSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC000968400634 613375775 /nfs/dbraw/zinc/37/57/75/613375775.db2.gz RUFLPCHPPZFNQK-BXKDBHETSA-N 1 2 296.802 1.911 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCOC2)C(C)(C)C1 ZINC000972844384 613379888 /nfs/dbraw/zinc/37/98/88/613379888.db2.gz POPLAZMCYWVLED-NWDGAFQWSA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCOC2)C(C)(C)C1 ZINC000972844384 613379889 /nfs/dbraw/zinc/37/98/89/613379889.db2.gz POPLAZMCYWVLED-NWDGAFQWSA-N 1 2 286.803 1.602 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@H](C)c2cccnc2)CC1 ZINC000951172907 613563177 /nfs/dbraw/zinc/56/31/77/613563177.db2.gz MUVJXSVBQFSKJK-HNNXBMFYSA-N 1 2 285.391 1.743 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2CC[C@H](C)O2)CC1 ZINC000950025381 613563202 /nfs/dbraw/zinc/56/32/02/613563202.db2.gz XPZHKRNNUKENNE-KBPBESRZSA-N 1 2 264.369 1.112 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[C@@H]2OC)C1 ZINC000950666881 613653409 /nfs/dbraw/zinc/65/34/09/613653409.db2.gz KABSRLZGFVLCAV-KGLIPLIRSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)COc2cc(F)cc(F)c2)CC1 ZINC000957819931 613708402 /nfs/dbraw/zinc/70/84/02/613708402.db2.gz UGYVFRKBDYGIJJ-UHFFFAOYSA-N 1 2 296.317 1.674 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2cncc(C)c2)CC1 ZINC000949224365 613708418 /nfs/dbraw/zinc/70/84/18/613708418.db2.gz XECVIKMWVDJXGI-UHFFFAOYSA-N 1 2 273.380 1.653 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](OC)C2CCCC2)CC1 ZINC000957484676 613710800 /nfs/dbraw/zinc/71/08/00/613710800.db2.gz AJRZAJPRIZTXGE-AWEZNQCLSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)cn3ccnc23)CC1 ZINC000949465412 613714567 /nfs/dbraw/zinc/71/45/67/613714567.db2.gz XKAFFZIJXJRUHA-UHFFFAOYSA-N 1 2 284.363 1.587 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)nc3cc(C)nn32)CC1 ZINC000957697308 613715279 /nfs/dbraw/zinc/71/52/79/613715279.db2.gz HTODGHKJPHXZQO-UHFFFAOYSA-N 1 2 299.378 1.290 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3c(c2)N(C)C(=O)C3)CC1 ZINC000949130645 613716503 /nfs/dbraw/zinc/71/65/03/613716503.db2.gz UVALZAVKFIVFJC-UHFFFAOYSA-N 1 2 299.374 1.149 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc3ncn(C)c32)CC1 ZINC000948940057 613716767 /nfs/dbraw/zinc/71/67/67/613716767.db2.gz XUWUXTPCHUPCKW-UHFFFAOYSA-N 1 2 284.363 1.517 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3coc(C)n3)C2)C1 ZINC000972353587 613724249 /nfs/dbraw/zinc/72/42/49/613724249.db2.gz SITPBZQCLYKXDS-HNNXBMFYSA-N 1 2 291.351 1.086 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3coc(C)n3)C2)C1 ZINC000972353587 613724251 /nfs/dbraw/zinc/72/42/51/613724251.db2.gz SITPBZQCLYKXDS-HNNXBMFYSA-N 1 2 291.351 1.086 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(CC)CC)C2)C1 ZINC000972274320 613724965 /nfs/dbraw/zinc/72/49/65/613724965.db2.gz ZCEMUSASJLJJCH-MRXNPFEDSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C(CC)CC)C2)C1 ZINC000972274320 613724966 /nfs/dbraw/zinc/72/49/66/613724966.db2.gz ZCEMUSASJLJJCH-MRXNPFEDSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3CC)C2)C1 ZINC000972563829 613726497 /nfs/dbraw/zinc/72/64/97/613726497.db2.gz GECOIKZWLHSAET-IIAWOOMASA-N 1 2 278.396 1.522 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3CC)C2)C1 ZINC000972563829 613726501 /nfs/dbraw/zinc/72/65/01/613726501.db2.gz GECOIKZWLHSAET-IIAWOOMASA-N 1 2 278.396 1.522 20 30 CDEDLO C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC000968188014 613775439 /nfs/dbraw/zinc/77/54/39/613775439.db2.gz AQKYPJSGONNCMX-GXSJLCMTSA-N 1 2 266.320 1.175 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC000968188014 613775441 /nfs/dbraw/zinc/77/54/41/613775441.db2.gz AQKYPJSGONNCMX-GXSJLCMTSA-N 1 2 266.320 1.175 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000933661322 617575364 /nfs/dbraw/zinc/57/53/64/617575364.db2.gz UGMNSVBLNRGLNZ-GJZGRUSLSA-N 1 2 280.412 1.912 20 30 CDEDLO C#C[C@@H]([NH2+]Cc1ccnc(OC)c1F)[C@H]1CCCO1 ZINC000893677400 617831349 /nfs/dbraw/zinc/83/13/49/617831349.db2.gz SYWXVEXFDSUTAJ-VXGBXAGGSA-N 1 2 264.300 1.500 20 30 CDEDLO COC(=O)[C@@H]1[C@H](C[N@H+](C[C@@H](C)C#N)C2CC2)C1(F)F ZINC000894084708 618347847 /nfs/dbraw/zinc/34/78/47/618347847.db2.gz NFARSCZXQAREQQ-LSJOCFKGSA-N 1 2 272.295 1.665 20 30 CDEDLO COC(=O)[C@@H]1[C@H](C[N@@H+](C[C@@H](C)C#N)C2CC2)C1(F)F ZINC000894084708 618347859 /nfs/dbraw/zinc/34/78/59/618347859.db2.gz NFARSCZXQAREQQ-LSJOCFKGSA-N 1 2 272.295 1.665 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)C(=O)OC ZINC000894194895 618682276 /nfs/dbraw/zinc/68/22/76/618682276.db2.gz NCBSZZIFBUNFEO-XQLPTFJDSA-N 1 2 297.395 1.525 20 30 CDEDLO CC[C@@H](C[NH+]1CCOCC1)Nc1cccnc1C#N ZINC000895800825 619850731 /nfs/dbraw/zinc/85/07/31/619850731.db2.gz DITJMSVOKHDCRW-LBPRGKRZSA-N 1 2 260.341 1.476 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000895858800 619875277 /nfs/dbraw/zinc/87/52/77/619875277.db2.gz RVLPHPSTCIJRBD-LLVKDONJSA-N 1 2 262.357 1.935 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000896187161 620020889 /nfs/dbraw/zinc/02/08/89/620020889.db2.gz OBPJGVRELZBBPX-KBPBESRZSA-N 1 2 280.412 1.958 20 30 CDEDLO C#CCOc1ccc(C[NH+]2CC(N3CCCC3=O)C2)cc1 ZINC000897786484 621122026 /nfs/dbraw/zinc/12/20/26/621122026.db2.gz PWZHBMLLBQPTOS-UHFFFAOYSA-N 1 2 284.359 1.505 20 30 CDEDLO Cc1cc(NC(=O)CNc2cccc[nH+]2)nn1CCC#N ZINC000901282114 624069333 /nfs/dbraw/zinc/06/93/33/624069333.db2.gz CTCLVDGHKOBEGY-UHFFFAOYSA-N 1 2 284.323 1.551 20 30 CDEDLO C=C(C)C[N@H+](C)CN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1=O ZINC000902212464 624540562 /nfs/dbraw/zinc/54/05/62/624540562.db2.gz FSHFLNLWSMHWIP-DVZHBHJUSA-N 1 2 274.364 1.649 20 30 CDEDLO C=C(C)C[N@@H+](C)CN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1=O ZINC000902212464 624540565 /nfs/dbraw/zinc/54/05/65/624540565.db2.gz FSHFLNLWSMHWIP-DVZHBHJUSA-N 1 2 274.364 1.649 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)c2ccc(C)cc2)C1 ZINC000902728909 625275775 /nfs/dbraw/zinc/27/57/75/625275775.db2.gz CCGOSXYMQKNDHH-OAHLLOKOSA-N 1 2 284.359 1.392 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)c2ccc(C)cc2)C1 ZINC000902728909 625275787 /nfs/dbraw/zinc/27/57/87/625275787.db2.gz CCGOSXYMQKNDHH-OAHLLOKOSA-N 1 2 284.359 1.392 20 30 CDEDLO CCCCN(O)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000904210324 626214340 /nfs/dbraw/zinc/21/43/40/626214340.db2.gz LRNJXLBTKWNQSO-OAHLLOKOSA-N 1 2 292.379 1.905 20 30 CDEDLO CCCCN(O)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000904210324 626214341 /nfs/dbraw/zinc/21/43/41/626214341.db2.gz LRNJXLBTKWNQSO-OAHLLOKOSA-N 1 2 292.379 1.905 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCn1cc[nH+]c1 ZINC000906676021 627368868 /nfs/dbraw/zinc/36/88/68/627368868.db2.gz HSPCSHDPHMQPMA-KBPBESRZSA-N 1 2 277.368 1.761 20 30 CDEDLO C=CCC[C@@H]1CCCN1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000912451004 630021355 /nfs/dbraw/zinc/02/13/55/630021355.db2.gz LVEUGUNEQHTCGY-LSDHHAIUSA-N 1 2 295.427 1.847 20 30 CDEDLO C=CCC[C@@H]1CCCN1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000912451004 630021356 /nfs/dbraw/zinc/02/13/56/630021356.db2.gz LVEUGUNEQHTCGY-LSDHHAIUSA-N 1 2 295.427 1.847 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913461204 630490848 /nfs/dbraw/zinc/49/08/48/630490848.db2.gz UWOZRNOFVLTOBN-CYBMUJFWSA-N 1 2 276.384 1.495 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C)s2)C1 ZINC000923597334 631804042 /nfs/dbraw/zinc/80/40/42/631804042.db2.gz NJWXKKZRGQJOPR-LBPRGKRZSA-N 1 2 262.378 1.884 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)s2)C1 ZINC000923597334 631804044 /nfs/dbraw/zinc/80/40/44/631804044.db2.gz NJWXKKZRGQJOPR-LBPRGKRZSA-N 1 2 262.378 1.884 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C)cn3)C[C@H]21 ZINC001114198396 1162451907 /nfs/dbraw/zinc/45/19/07/1162451907.db2.gz BGANHESSBDLWIK-HALDLXJZSA-N 1 2 298.390 1.135 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(C)cn3)C[C@H]21 ZINC001114198396 1162451908 /nfs/dbraw/zinc/45/19/08/1162451908.db2.gz BGANHESSBDLWIK-HALDLXJZSA-N 1 2 298.390 1.135 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132332442 1163243531 /nfs/dbraw/zinc/24/35/31/1163243531.db2.gz UOBCJWIOFDTHPX-NWDGAFQWSA-N 1 2 281.400 1.043 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001132332442 1163243535 /nfs/dbraw/zinc/24/35/35/1163243535.db2.gz UOBCJWIOFDTHPX-NWDGAFQWSA-N 1 2 281.400 1.043 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[NH2+][C@H](C)c1ncc(C)o1 ZINC001132391459 1163274837 /nfs/dbraw/zinc/27/48/37/1163274837.db2.gz JTNMFFCBAQXEFB-LLVKDONJSA-N 1 2 265.357 1.962 20 30 CDEDLO C=CCCC1(C(=O)NCC[NH2+]Cc2ncc(C)o2)CC1 ZINC001133376018 1163667915 /nfs/dbraw/zinc/66/79/15/1163667915.db2.gz RSEYJRIHJOQUBD-UHFFFAOYSA-N 1 2 277.368 1.935 20 30 CDEDLO N#C[C@H]1CCC[N@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC001606346297 1163872569 /nfs/dbraw/zinc/87/25/69/1163872569.db2.gz YSPNHKNHFKBGDR-GFCCVEGCSA-N 1 2 298.350 1.481 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC001606346297 1163872576 /nfs/dbraw/zinc/87/25/76/1163872576.db2.gz YSPNHKNHFKBGDR-GFCCVEGCSA-N 1 2 298.350 1.481 20 30 CDEDLO Cc1cc(N2CC[C@](F)(C#N)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001609404958 1164930726 /nfs/dbraw/zinc/93/07/26/1164930726.db2.gz QXBLJDXSWOTOED-LBPRGKRZSA-N 1 2 273.275 1.012 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc3c2CCCO3)CC1 ZINC001155604960 1167254786 /nfs/dbraw/zinc/25/47/86/1167254786.db2.gz UFICIQUTOAHIBK-UHFFFAOYSA-N 1 2 286.375 1.955 20 30 CDEDLO O=C(C#CC1CC1)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001567890104 1169042123 /nfs/dbraw/zinc/04/21/23/1169042123.db2.gz CDVFNZUQOJWGTQ-GOSISDBHSA-N 1 2 292.382 1.642 20 30 CDEDLO O=C(C#CC1CC1)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001567890104 1169042132 /nfs/dbraw/zinc/04/21/32/1169042132.db2.gz CDVFNZUQOJWGTQ-GOSISDBHSA-N 1 2 292.382 1.642 20 30 CDEDLO N#Cc1cccc([C@@H](O)C[N@@H+]2CCC[C@H](c3cnn[nH]3)C2)c1 ZINC001577717743 1171728709 /nfs/dbraw/zinc/72/87/09/1171728709.db2.gz PFNRBAWQHUSDEF-HOCLYGCPSA-N 1 2 297.362 1.589 20 30 CDEDLO N#Cc1cccc([C@@H](O)C[N@H+]2CCC[C@H](c3cnn[nH]3)C2)c1 ZINC001577717743 1171728716 /nfs/dbraw/zinc/72/87/16/1171728716.db2.gz PFNRBAWQHUSDEF-HOCLYGCPSA-N 1 2 297.362 1.589 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](CC)CCC)C1 ZINC001698554080 1175837733 /nfs/dbraw/zinc/83/77/33/1175837733.db2.gz UZJSXJOPYZRXRH-ZIAGYGMSSA-N 1 2 295.427 1.305 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)CCC)C1 ZINC001698554080 1175837735 /nfs/dbraw/zinc/83/77/35/1175837735.db2.gz UZJSXJOPYZRXRH-ZIAGYGMSSA-N 1 2 295.427 1.305 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1nocc1C ZINC001713473810 1178591074 /nfs/dbraw/zinc/59/10/74/1178591074.db2.gz XQVWASJCFWPCGA-UHFFFAOYSA-N 1 2 257.721 1.397 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1nocc1C ZINC001713473810 1178591077 /nfs/dbraw/zinc/59/10/77/1178591077.db2.gz XQVWASJCFWPCGA-UHFFFAOYSA-N 1 2 257.721 1.397 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCCNC(=O)C(=O)C(C)(C)C ZINC001751953875 1184799727 /nfs/dbraw/zinc/79/97/27/1184799727.db2.gz WJYRISHVGYZPBE-UHFFFAOYSA-N 1 2 274.792 1.792 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCCNC(=O)C(=O)C(C)(C)C ZINC001751953875 1184799733 /nfs/dbraw/zinc/79/97/33/1184799733.db2.gz WJYRISHVGYZPBE-UHFFFAOYSA-N 1 2 274.792 1.792 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C#CC(C)(C)C ZINC001753048738 1185019039 /nfs/dbraw/zinc/01/90/39/1185019039.db2.gz DCFSBLZXSLVMIQ-UHFFFAOYSA-N 1 2 256.777 1.836 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C#CC(C)(C)C ZINC001753048738 1185019044 /nfs/dbraw/zinc/01/90/44/1185019044.db2.gz DCFSBLZXSLVMIQ-UHFFFAOYSA-N 1 2 256.777 1.836 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NCC1C[NH+](Cc2ccnn2C)C1 ZINC001753407841 1185190974 /nfs/dbraw/zinc/19/09/74/1185190974.db2.gz YMECRWXNRMRPHS-UHFFFAOYSA-N 1 2 290.411 1.570 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCO1 ZINC001753846628 1185355209 /nfs/dbraw/zinc/35/52/09/1185355209.db2.gz JOEMLAANDFMKFJ-LLVKDONJSA-N 1 2 260.765 1.308 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCO1 ZINC001753846628 1185355213 /nfs/dbraw/zinc/35/52/13/1185355213.db2.gz JOEMLAANDFMKFJ-LLVKDONJSA-N 1 2 260.765 1.308 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](CC)OC ZINC001754300862 1185559829 /nfs/dbraw/zinc/55/98/29/1185559829.db2.gz FPYGYIZKPBUZLZ-QWRGUYRKSA-N 1 2 262.781 1.600 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H](CC)OC ZINC001754300862 1185559832 /nfs/dbraw/zinc/55/98/32/1185559832.db2.gz FPYGYIZKPBUZLZ-QWRGUYRKSA-N 1 2 262.781 1.600 20 30 CDEDLO C=CCOCC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)c1ncc(C)o1 ZINC001754304696 1185565035 /nfs/dbraw/zinc/56/50/35/1185565035.db2.gz GHTRUJVELUSDLH-AAEUAGOBSA-N 1 2 295.383 1.683 20 30 CDEDLO C=CCOCC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)c1ncc(C)o1 ZINC001754304696 1185565040 /nfs/dbraw/zinc/56/50/40/1185565040.db2.gz GHTRUJVELUSDLH-AAEUAGOBSA-N 1 2 295.383 1.683 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC1([NH2+]Cc2nonc2C)CC1 ZINC001754522682 1185657701 /nfs/dbraw/zinc/65/77/01/1185657701.db2.gz UWLITOKIMPJJLY-LBPRGKRZSA-N 1 2 292.383 1.719 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1COCC[N@@H+]1CCCF ZINC001754970519 1185774400 /nfs/dbraw/zinc/77/44/00/1185774400.db2.gz UYPMRQDNGIVCPE-KBPBESRZSA-N 1 2 286.391 1.765 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1COCC[N@H+]1CCCF ZINC001754970519 1185774403 /nfs/dbraw/zinc/77/44/03/1185774403.db2.gz UYPMRQDNGIVCPE-KBPBESRZSA-N 1 2 286.391 1.765 20 30 CDEDLO C[C@@H](C#N)OCC[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000321961679 1186800861 /nfs/dbraw/zinc/80/08/61/1186800861.db2.gz ZVYPWMUITADRLF-GTNSWQLSSA-N 1 2 258.387 1.148 20 30 CDEDLO C[C@@H](C#N)OCC[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000321961679 1186800872 /nfs/dbraw/zinc/80/08/72/1186800872.db2.gz ZVYPWMUITADRLF-GTNSWQLSSA-N 1 2 258.387 1.148 20 30 CDEDLO C[C@H](C(=O)Nc1cccc(CC#N)n1)[NH+]1CCSCC1 ZINC000882473918 844117833 /nfs/dbraw/zinc/11/78/33/844117833.db2.gz VLGWYHIJBDSHIO-LLVKDONJSA-N 1 2 290.392 1.523 20 30 CDEDLO Cc1cc[nH+]c(NCCCCC#N)c1-c1nn[nH]n1 ZINC000826313589 844127931 /nfs/dbraw/zinc/12/79/31/844127931.db2.gz MKAJUBGFKMNURM-UHFFFAOYSA-N 1 2 257.301 1.676 20 30 CDEDLO N#Cc1cncc(CN2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000930110140 844186308 /nfs/dbraw/zinc/18/63/08/844186308.db2.gz NJZBDAKVGGSWDZ-UHFFFAOYSA-N 1 2 293.374 1.666 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001031618572 844245082 /nfs/dbraw/zinc/24/50/82/844245082.db2.gz RXKRKGLECKVKAR-NSHDSACASA-N 1 2 256.777 1.833 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001028085911 844267276 /nfs/dbraw/zinc/26/72/76/844267276.db2.gz PBYZTWLSHGFWQK-NDBYEHHHSA-N 1 2 284.787 1.212 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001028085911 844267305 /nfs/dbraw/zinc/26/73/05/844267305.db2.gz PBYZTWLSHGFWQK-NDBYEHHHSA-N 1 2 284.787 1.212 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001051145110 844277291 /nfs/dbraw/zinc/27/72/91/844277291.db2.gz GUASNIRSKZJTHZ-CQSZACIVSA-N 1 2 291.395 1.638 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001051145110 844277318 /nfs/dbraw/zinc/27/73/18/844277318.db2.gz GUASNIRSKZJTHZ-CQSZACIVSA-N 1 2 291.395 1.638 20 30 CDEDLO C#Cc1ccc(C(=O)OCCCn2cc[nH+]c2)nc1 ZINC000783479712 844300085 /nfs/dbraw/zinc/30/00/85/844300085.db2.gz QXDXDYBKGMIFRQ-UHFFFAOYSA-N 1 2 255.277 1.507 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(CC#N)CC1 ZINC001326793655 1167464142 /nfs/dbraw/zinc/46/41/42/1167464142.db2.gz SKLQRIKLTOPPDU-NSHDSACASA-N 1 2 260.341 1.741 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(CC#N)CC1 ZINC001326793655 1167464145 /nfs/dbraw/zinc/46/41/45/1167464145.db2.gz SKLQRIKLTOPPDU-NSHDSACASA-N 1 2 260.341 1.741 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OCC)no1 ZINC001017740470 844329058 /nfs/dbraw/zinc/32/90/58/844329058.db2.gz IFAYQPJCPQABRQ-TXEJJXNPSA-N 1 2 291.351 1.548 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc(C2CC2)n1 ZINC001038760495 844326067 /nfs/dbraw/zinc/32/60/67/844326067.db2.gz OAGJONPSJFTYEE-ZDUSSCGKSA-N 1 2 284.363 1.181 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc(C2CC2)n1 ZINC001038760495 844326078 /nfs/dbraw/zinc/32/60/78/844326078.db2.gz OAGJONPSJFTYEE-ZDUSSCGKSA-N 1 2 284.363 1.181 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OCC)no1 ZINC001017740470 844329052 /nfs/dbraw/zinc/32/90/52/844329052.db2.gz IFAYQPJCPQABRQ-TXEJJXNPSA-N 1 2 291.351 1.548 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000980847420 844337040 /nfs/dbraw/zinc/33/70/40/844337040.db2.gz AXNUTXIGUKTBLC-CQSZACIVSA-N 1 2 296.374 1.752 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000980847420 844337053 /nfs/dbraw/zinc/33/70/53/844337053.db2.gz AXNUTXIGUKTBLC-CQSZACIVSA-N 1 2 296.374 1.752 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2=COCCO2)C1 ZINC001006650594 844351017 /nfs/dbraw/zinc/35/10/17/844351017.db2.gz KANDNPRYJKVTLJ-NSHDSACASA-N 1 2 286.759 1.208 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2=COCCO2)C1 ZINC001006650594 844351029 /nfs/dbraw/zinc/35/10/29/844351029.db2.gz KANDNPRYJKVTLJ-NSHDSACASA-N 1 2 286.759 1.208 20 30 CDEDLO C#CC1CCN(c2cc(NC[C@@H](C)O)[nH+]cn2)CC1 ZINC000826714532 844356199 /nfs/dbraw/zinc/35/61/99/844356199.db2.gz CCJXLIPJKUEGKT-LLVKDONJSA-N 1 2 260.341 1.119 20 30 CDEDLO C#CC1CCN(c2cc(NC[C@@H](C)O)nc[nH+]2)CC1 ZINC000826714532 844356214 /nfs/dbraw/zinc/35/62/14/844356214.db2.gz CCJXLIPJKUEGKT-LLVKDONJSA-N 1 2 260.341 1.119 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(SC)cn1 ZINC000884197952 844377027 /nfs/dbraw/zinc/37/70/27/844377027.db2.gz JWSSYRRPZVXHDP-JTQLQIEISA-N 1 2 295.364 1.189 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000879588008 844413855 /nfs/dbraw/zinc/41/38/55/844413855.db2.gz INJFSZROQIIFQP-CYBMUJFWSA-N 1 2 289.354 1.086 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1c(C)ccn1C ZINC001050888985 844438222 /nfs/dbraw/zinc/43/82/22/844438222.db2.gz KOHHOKKEOAVIPM-CQSZACIVSA-N 1 2 291.395 1.340 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1c(C)ccn1C ZINC001050888985 844438237 /nfs/dbraw/zinc/43/82/37/844438237.db2.gz KOHHOKKEOAVIPM-CQSZACIVSA-N 1 2 291.395 1.340 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(F)c1 ZINC001017316265 844439881 /nfs/dbraw/zinc/43/98/81/844439881.db2.gz FSAIHSFROCTKDC-GASCZTMLSA-N 1 2 272.323 1.748 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(F)c1 ZINC001017316265 844439885 /nfs/dbraw/zinc/43/98/85/844439885.db2.gz FSAIHSFROCTKDC-GASCZTMLSA-N 1 2 272.323 1.748 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnc(C3CC3)s2)C1 ZINC001033598594 844475000 /nfs/dbraw/zinc/47/50/00/844475000.db2.gz GSXZMOQTQRJWMA-GFCCVEGCSA-N 1 2 289.404 1.800 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc(C3CC3)s2)C1 ZINC001033598594 844475012 /nfs/dbraw/zinc/47/50/12/844475012.db2.gz GSXZMOQTQRJWMA-GFCCVEGCSA-N 1 2 289.404 1.800 20 30 CDEDLO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2c[nH]nc21 ZINC001032405542 844490359 /nfs/dbraw/zinc/49/03/59/844490359.db2.gz HZCWANBMTKJHMM-KKUMJFAQSA-N 1 2 298.390 1.138 20 30 CDEDLO C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2c[nH]nc21 ZINC001032405542 844490365 /nfs/dbraw/zinc/49/03/65/844490365.db2.gz HZCWANBMTKJHMM-KKUMJFAQSA-N 1 2 298.390 1.138 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C)on1)O2 ZINC001053568485 844577067 /nfs/dbraw/zinc/57/70/67/844577067.db2.gz MJMHJRDAVYNZIH-GFCCVEGCSA-N 1 2 291.351 1.132 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)nc1C1CC1 ZINC001017588816 844591766 /nfs/dbraw/zinc/59/17/66/844591766.db2.gz NYEOYDBQZSNYEU-OKILXGFUSA-N 1 2 298.390 1.220 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)nc1C1CC1 ZINC001017588816 844591775 /nfs/dbraw/zinc/59/17/75/844591775.db2.gz NYEOYDBQZSNYEU-OKILXGFUSA-N 1 2 298.390 1.220 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccnn1 ZINC001024727795 843003782 /nfs/dbraw/zinc/00/37/82/843003782.db2.gz NRKWZAFVCGSNNJ-GFCCVEGCSA-N 1 2 294.786 1.813 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccnn1 ZINC001024727795 843003791 /nfs/dbraw/zinc/00/37/91/843003791.db2.gz NRKWZAFVCGSNNJ-GFCCVEGCSA-N 1 2 294.786 1.813 20 30 CDEDLO C#CCO[C@@H](C)C(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000822702189 843007578 /nfs/dbraw/zinc/00/75/78/843007578.db2.gz RCJVPSIFLUORRO-NSHDSACASA-N 1 2 295.408 1.962 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N(C)[C@@H]3CCN(CC#N)C3)ccn12 ZINC001033077628 843065007 /nfs/dbraw/zinc/06/50/07/843065007.db2.gz FRUORUDICJIBLK-CQSZACIVSA-N 1 2 297.362 1.313 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CCNc1nc(C)cc(C#N)n1 ZINC000872773823 843099558 /nfs/dbraw/zinc/09/95/58/843099558.db2.gz WKPBTLLLYNTHIX-ZDUSSCGKSA-N 1 2 275.356 1.179 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CCNc1nc(C)cc(C#N)n1 ZINC000872773823 843099569 /nfs/dbraw/zinc/09/95/69/843099569.db2.gz WKPBTLLLYNTHIX-ZDUSSCGKSA-N 1 2 275.356 1.179 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCO2)C1 ZINC001033736121 843203511 /nfs/dbraw/zinc/20/35/11/843203511.db2.gz YMKMDKZDHZEPOW-QWHCGFSZSA-N 1 2 286.803 1.841 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCO2)C1 ZINC001033736121 843203538 /nfs/dbraw/zinc/20/35/38/843203538.db2.gz YMKMDKZDHZEPOW-QWHCGFSZSA-N 1 2 286.803 1.841 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cc(C)c1 ZINC001032750885 843308620 /nfs/dbraw/zinc/30/86/20/843308620.db2.gz AVSBBMOCZVZNFT-HOTGVXAUSA-N 1 2 268.360 1.835 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cc(C)c1 ZINC001032750885 843308633 /nfs/dbraw/zinc/30/86/33/843308633.db2.gz AVSBBMOCZVZNFT-HOTGVXAUSA-N 1 2 268.360 1.835 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](CN2CC3(CC2=O)CCOCC3)C1 ZINC000853523781 843363852 /nfs/dbraw/zinc/36/38/52/843363852.db2.gz GVIMWOPCVMZUGO-CQSZACIVSA-N 1 2 291.395 1.599 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](CN2CC3(CC2=O)CCOCC3)C1 ZINC000853523781 843363865 /nfs/dbraw/zinc/36/38/65/843363865.db2.gz GVIMWOPCVMZUGO-CQSZACIVSA-N 1 2 291.395 1.599 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@@H](C)C1 ZINC001018108392 843397334 /nfs/dbraw/zinc/39/73/34/843397334.db2.gz ADCOKJNOSSUIDY-ZQDZILKHSA-N 1 2 276.380 1.110 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@@H](C)C1 ZINC001018108392 843397349 /nfs/dbraw/zinc/39/73/49/843397349.db2.gz ADCOKJNOSSUIDY-ZQDZILKHSA-N 1 2 276.380 1.110 20 30 CDEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)co1 ZINC001027336425 843398703 /nfs/dbraw/zinc/39/87/03/843398703.db2.gz QHRIBRKEUOBAEU-RISCZKNCSA-N 1 2 290.367 1.566 20 30 CDEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)co1 ZINC001027336425 843398723 /nfs/dbraw/zinc/39/87/23/843398723.db2.gz QHRIBRKEUOBAEU-RISCZKNCSA-N 1 2 290.367 1.566 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C)c(C)n2)C1 ZINC001035453506 843444020 /nfs/dbraw/zinc/44/40/20/843444020.db2.gz XYVPNFJWISZZCC-AWEZNQCLSA-N 1 2 289.379 1.315 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C)c(C)n2)C1 ZINC001035453506 843444031 /nfs/dbraw/zinc/44/40/31/843444031.db2.gz XYVPNFJWISZZCC-AWEZNQCLSA-N 1 2 289.379 1.315 20 30 CDEDLO CC(C)(C)C#CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000837494440 843475780 /nfs/dbraw/zinc/47/57/80/843475780.db2.gz ZMEXREDHIVYOEN-ZDUSSCGKSA-N 1 2 271.364 1.826 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC2(CCC2)CC1 ZINC000884424761 843488297 /nfs/dbraw/zinc/48/82/97/843488297.db2.gz JRAWBOLXPVKBAS-LBPRGKRZSA-N 1 2 280.368 1.226 20 30 CDEDLO C=CCOc1ccc(C(=O)NCc2c[nH+]cn2C)cc1 ZINC000355255556 843674787 /nfs/dbraw/zinc/67/47/87/843674787.db2.gz MBQARGDGMPFUQI-UHFFFAOYSA-N 1 2 271.320 1.915 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2nc(C)cc2C)C1 ZINC001015174828 843755031 /nfs/dbraw/zinc/75/50/31/843755031.db2.gz PJTNZFDAWJMMJD-ZDUSSCGKSA-N 1 2 296.802 1.443 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)cc2C)C1 ZINC001015174828 843755043 /nfs/dbraw/zinc/75/50/43/843755043.db2.gz PJTNZFDAWJMMJD-ZDUSSCGKSA-N 1 2 296.802 1.443 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(OC)c(Cl)c1 ZINC001039043903 843838618 /nfs/dbraw/zinc/83/86/18/843838618.db2.gz TYNWDAUZEKQDLA-LLVKDONJSA-N 1 2 293.754 1.181 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(OC)c(Cl)c1 ZINC001039043903 843838621 /nfs/dbraw/zinc/83/86/21/843838621.db2.gz TYNWDAUZEKQDLA-LLVKDONJSA-N 1 2 293.754 1.181 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)ns2)CC[C@@H]1C ZINC001071519162 843853218 /nfs/dbraw/zinc/85/32/18/843853218.db2.gz VYFSFVDRHHINTA-QWRGUYRKSA-N 1 2 293.392 1.368 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(OC)ns2)CC[C@@H]1C ZINC001071519162 843853220 /nfs/dbraw/zinc/85/32/20/843853220.db2.gz VYFSFVDRHHINTA-QWRGUYRKSA-N 1 2 293.392 1.368 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccncn2)C1 ZINC001033510323 843856500 /nfs/dbraw/zinc/85/65/00/843856500.db2.gz WYRSPYWBLCQRGP-LLVKDONJSA-N 1 2 280.759 1.375 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccncn2)C1 ZINC001033510323 843856504 /nfs/dbraw/zinc/85/65/04/843856504.db2.gz WYRSPYWBLCQRGP-LLVKDONJSA-N 1 2 280.759 1.375 20 30 CDEDLO C#CCOCC[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000851979717 843861912 /nfs/dbraw/zinc/86/19/12/843861912.db2.gz HKWKXPCZRRDXRB-MRXNPFEDSA-N 1 2 275.348 1.416 20 30 CDEDLO C#CCOCC[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000851979717 843861913 /nfs/dbraw/zinc/86/19/13/843861913.db2.gz HKWKXPCZRRDXRB-MRXNPFEDSA-N 1 2 275.348 1.416 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1coc(C2CCC2)n1 ZINC001038895322 843876111 /nfs/dbraw/zinc/87/61/11/843876111.db2.gz JYPUVVWIZPXPIL-LBPRGKRZSA-N 1 2 273.336 1.379 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(C2CCC2)n1 ZINC001038895322 843876113 /nfs/dbraw/zinc/87/61/13/843876113.db2.gz JYPUVVWIZPXPIL-LBPRGKRZSA-N 1 2 273.336 1.379 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(CCC)[nH]n2)C1 ZINC001033916582 843886033 /nfs/dbraw/zinc/88/60/33/843886033.db2.gz OFZSPLQGZYGSJO-CQSZACIVSA-N 1 2 288.395 1.532 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cn(CC)nn2)C1 ZINC001046737078 843893728 /nfs/dbraw/zinc/89/37/28/843893728.db2.gz ODSOJMVWKOWVMX-ZDUSSCGKSA-N 1 2 297.790 1.245 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cn(CC)nn2)C1 ZINC001046737078 843893733 /nfs/dbraw/zinc/89/37/33/843893733.db2.gz ODSOJMVWKOWVMX-ZDUSSCGKSA-N 1 2 297.790 1.245 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccnc3ccncc32)C1 ZINC001030746559 843907709 /nfs/dbraw/zinc/90/77/09/843907709.db2.gz XMRONADJFPNSGB-UHFFFAOYSA-N 1 2 280.331 1.067 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc3ccccc3[nH]c2=O)C1 ZINC001030765234 843950159 /nfs/dbraw/zinc/95/01/59/843950159.db2.gz XNDYEFWTUMDWSY-UHFFFAOYSA-N 1 2 297.358 1.931 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn(CC)nc1C ZINC001038754157 843958855 /nfs/dbraw/zinc/95/88/55/843958855.db2.gz QGAWGKQQUIFZRX-CYBMUJFWSA-N 1 2 274.368 1.039 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(CC)nc1C ZINC001038754157 843958868 /nfs/dbraw/zinc/95/88/68/843958868.db2.gz QGAWGKQQUIFZRX-CYBMUJFWSA-N 1 2 274.368 1.039 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C/C=C/Cl ZINC001038715968 844638867 /nfs/dbraw/zinc/63/88/67/844638867.db2.gz DBRSEEQOYPNHBQ-HYOKIZNHSA-N 1 2 284.787 1.521 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C/C=C/Cl ZINC001038715968 844638872 /nfs/dbraw/zinc/63/88/72/844638872.db2.gz DBRSEEQOYPNHBQ-HYOKIZNHSA-N 1 2 284.787 1.521 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c(F)cccc2Cl)C1 ZINC001031297303 844651939 /nfs/dbraw/zinc/65/19/39/844651939.db2.gz JHTAREQMCXUOHZ-UHFFFAOYSA-N 1 2 280.730 1.916 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)Cc1ccsc1 ZINC000884099680 844745738 /nfs/dbraw/zinc/74/57/38/844745738.db2.gz WKODUFUPRBZQRP-JQWIXIFHSA-N 1 2 296.392 1.242 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=C)Cl)C2)cn1 ZINC001016027019 844805899 /nfs/dbraw/zinc/80/58/99/844805899.db2.gz LEJPUUMWMMHOAC-CQSZACIVSA-N 1 2 289.766 1.620 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=C)Cl)C2)cn1 ZINC001016027019 844805904 /nfs/dbraw/zinc/80/59/04/844805904.db2.gz LEJPUUMWMMHOAC-CQSZACIVSA-N 1 2 289.766 1.620 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccon2)C1 ZINC001033756755 844808419 /nfs/dbraw/zinc/80/84/19/844808419.db2.gz OFMRXLNXFOHIME-LLVKDONJSA-N 1 2 283.759 1.964 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccon2)C1 ZINC001033756755 844808425 /nfs/dbraw/zinc/80/84/25/844808425.db2.gz OFMRXLNXFOHIME-LLVKDONJSA-N 1 2 283.759 1.964 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C(CC)CC)C1CC1 ZINC000884096145 844823653 /nfs/dbraw/zinc/82/36/53/844823653.db2.gz LSARUBVFURNHBA-ZDUSSCGKSA-N 1 2 282.384 1.613 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnn1C1CCC1 ZINC001038250284 844915055 /nfs/dbraw/zinc/91/50/55/844915055.db2.gz ZEPNZACKCFKQSH-CYBMUJFWSA-N 1 2 272.352 1.045 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnn1C1CCC1 ZINC001038250284 844915063 /nfs/dbraw/zinc/91/50/63/844915063.db2.gz ZEPNZACKCFKQSH-CYBMUJFWSA-N 1 2 272.352 1.045 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001031212040 844917453 /nfs/dbraw/zinc/91/74/53/844917453.db2.gz CGUWZZGEZKIZMU-UHFFFAOYSA-N 1 2 271.364 1.331 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(OCC)cc1 ZINC000884044614 844927370 /nfs/dbraw/zinc/92/73/70/844927370.db2.gz ONHMDLYKHCQCRZ-ZDUSSCGKSA-N 1 2 292.335 1.470 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2c1CCC2 ZINC001017603798 844978147 /nfs/dbraw/zinc/97/81/47/844978147.db2.gz VCWKBSCZVKKRES-OKILXGFUSA-N 1 2 298.390 1.141 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2c1CCC2 ZINC001017603798 844978152 /nfs/dbraw/zinc/97/81/52/844978152.db2.gz VCWKBSCZVKKRES-OKILXGFUSA-N 1 2 298.390 1.141 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@H]3C)cc2C1 ZINC001054253658 844986384 /nfs/dbraw/zinc/98/63/84/844986384.db2.gz GLBOSSWVWNZGAI-WBMJQRKESA-N 1 2 268.360 1.908 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@H]3C)cc2C1 ZINC001054253658 844986396 /nfs/dbraw/zinc/98/63/96/844986396.db2.gz GLBOSSWVWNZGAI-WBMJQRKESA-N 1 2 268.360 1.908 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCO2)C1 ZINC001033736119 845007258 /nfs/dbraw/zinc/00/72/58/845007258.db2.gz YMKMDKZDHZEPOW-CHWSQXEVSA-N 1 2 286.803 1.841 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCO2)C1 ZINC001033736119 845007263 /nfs/dbraw/zinc/00/72/63/845007263.db2.gz YMKMDKZDHZEPOW-CHWSQXEVSA-N 1 2 286.803 1.841 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2nc[nH]n2)[C@@H]1C ZINC000994171165 845007742 /nfs/dbraw/zinc/00/77/42/845007742.db2.gz DVMJWVNXACDKMP-QWRGUYRKSA-N 1 2 297.790 1.069 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2nc[nH]n2)[C@@H]1C ZINC000994171165 845007749 /nfs/dbraw/zinc/00/77/49/845007749.db2.gz DVMJWVNXACDKMP-QWRGUYRKSA-N 1 2 297.790 1.069 20 30 CDEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)N(C)C(C)C)cc1 ZINC000842021920 845070498 /nfs/dbraw/zinc/07/04/98/845070498.db2.gz UJESNUDHUGGNRG-LLVKDONJSA-N 1 2 293.367 1.587 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2scnc2CC)CC[C@@H]1C ZINC001071552081 845084843 /nfs/dbraw/zinc/08/48/43/845084843.db2.gz IVJKVVWROBUDDI-RYUDHWBXSA-N 1 2 291.420 1.921 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2scnc2CC)CC[C@@H]1C ZINC001071552081 845084851 /nfs/dbraw/zinc/08/48/51/845084851.db2.gz IVJKVVWROBUDDI-RYUDHWBXSA-N 1 2 291.420 1.921 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccnc(C)n2)C1 ZINC001044308670 845098366 /nfs/dbraw/zinc/09/83/66/845098366.db2.gz NCFZXQDDQPVWRS-UHFFFAOYSA-N 1 2 260.341 1.117 20 30 CDEDLO C#CC[C@H]([NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@H](C)C1)C(=O)OC ZINC000839168805 845154259 /nfs/dbraw/zinc/15/42/59/845154259.db2.gz MVXYPLSKUNPDKA-SYQHCUMBSA-N 1 2 295.379 1.509 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)s1 ZINC001038002887 845236366 /nfs/dbraw/zinc/23/63/66/845236366.db2.gz JQRGBMOGEGNDKT-LBPRGKRZSA-N 1 2 262.378 1.884 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)s1 ZINC001038002887 845236371 /nfs/dbraw/zinc/23/63/71/845236371.db2.gz JQRGBMOGEGNDKT-LBPRGKRZSA-N 1 2 262.378 1.884 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1nc(C)n2ccccc12 ZINC001038517930 845253815 /nfs/dbraw/zinc/25/38/15/845253815.db2.gz GBCYERLNCIKSGH-CYBMUJFWSA-N 1 2 282.347 1.080 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nc(C)n2ccccc12 ZINC001038517930 845253821 /nfs/dbraw/zinc/25/38/21/845253821.db2.gz GBCYERLNCIKSGH-CYBMUJFWSA-N 1 2 282.347 1.080 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2cc(C)nc2c1 ZINC001032625854 845271259 /nfs/dbraw/zinc/27/12/59/845271259.db2.gz LVQXNRKAPVLIPG-GJZGRUSLSA-N 1 2 294.358 1.175 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2cc(C)nc2c1 ZINC001032625854 845271262 /nfs/dbraw/zinc/27/12/62/845271262.db2.gz LVQXNRKAPVLIPG-GJZGRUSLSA-N 1 2 294.358 1.175 20 30 CDEDLO C(=NN[C@@H]1CCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000788444649 845281217 /nfs/dbraw/zinc/28/12/17/845281217.db2.gz CNSHUUOVSXFVEM-CYBMUJFWSA-N 1 2 256.309 1.585 20 30 CDEDLO C#CC[N@H+]1CC[C@@](C)(NC(=O)c2sc(Cl)nc2C)C1 ZINC001046345260 845294488 /nfs/dbraw/zinc/29/44/88/845294488.db2.gz UOSLJGIGNXRQSC-CYBMUJFWSA-N 1 2 297.811 1.932 20 30 CDEDLO C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2sc(Cl)nc2C)C1 ZINC001046345260 845294497 /nfs/dbraw/zinc/29/44/97/845294497.db2.gz UOSLJGIGNXRQSC-CYBMUJFWSA-N 1 2 297.811 1.932 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc[nH]c(=O)c2)C1 ZINC001042597807 845413377 /nfs/dbraw/zinc/41/33/77/845413377.db2.gz UOLFNHVMZBGSMQ-UHFFFAOYSA-N 1 2 261.325 1.120 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccns2)CC[C@@H]1C ZINC001071547121 845480391 /nfs/dbraw/zinc/48/03/91/845480391.db2.gz RQUADVXBFNOGOM-RYUDHWBXSA-N 1 2 277.393 1.749 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccns2)CC[C@@H]1C ZINC001071547121 845480397 /nfs/dbraw/zinc/48/03/97/845480397.db2.gz RQUADVXBFNOGOM-RYUDHWBXSA-N 1 2 277.393 1.749 20 30 CDEDLO C#CCNC(=O)C1CC[NH+](Cc2ccc(Cl)nn2)CC1 ZINC000876634572 845496469 /nfs/dbraw/zinc/49/64/69/845496469.db2.gz VWORZBZCWIPUNB-UHFFFAOYSA-N 1 2 292.770 1.091 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001032460631 845505069 /nfs/dbraw/zinc/50/50/69/845505069.db2.gz VRBFUQIQBHROEH-RYUDHWBXSA-N 1 2 297.314 1.065 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001032460631 845505075 /nfs/dbraw/zinc/50/50/75/845505075.db2.gz VRBFUQIQBHROEH-RYUDHWBXSA-N 1 2 297.314 1.065 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnn1C(C)C ZINC001038294344 845558271 /nfs/dbraw/zinc/55/82/71/845558271.db2.gz DJKGBLCNWZAQFU-ZDUSSCGKSA-N 1 2 274.368 1.291 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnn1C(C)C ZINC001038294344 845558277 /nfs/dbraw/zinc/55/82/77/845558277.db2.gz DJKGBLCNWZAQFU-ZDUSSCGKSA-N 1 2 274.368 1.291 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCCC[C@@H]1CC ZINC000884092301 845587800 /nfs/dbraw/zinc/58/78/00/845587800.db2.gz ZVGXPOQBPWNXGC-AVGNSLFASA-N 1 2 282.384 1.518 20 30 CDEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000811222997 845594165 /nfs/dbraw/zinc/59/41/65/845594165.db2.gz FRRXBCWHAHZKAU-OAHLLOKOSA-N 1 2 279.343 1.538 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(C)[nH]c2=O)C1 ZINC001032006568 845612524 /nfs/dbraw/zinc/61/25/24/845612524.db2.gz GRDGGNNHECQVHL-UHFFFAOYSA-N 1 2 295.770 1.510 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(C)cc(C)c1 ZINC000884046874 845647426 /nfs/dbraw/zinc/64/74/26/845647426.db2.gz VABFYNJANANKLF-ZDUSSCGKSA-N 1 2 276.336 1.689 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2cc[nH]c21 ZINC001038727750 845668794 /nfs/dbraw/zinc/66/87/94/845668794.db2.gz ROCMRMHCAXXBOU-ZDUSSCGKSA-N 1 2 267.332 1.605 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2cc[nH]c21 ZINC001038727750 845668800 /nfs/dbraw/zinc/66/88/00/845668800.db2.gz ROCMRMHCAXXBOU-ZDUSSCGKSA-N 1 2 267.332 1.605 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001032669081 845686516 /nfs/dbraw/zinc/68/65/16/845686516.db2.gz WBQBWJMWLRPHPX-VGAPYMQISA-N 1 2 292.382 1.491 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001032669081 845686520 /nfs/dbraw/zinc/68/65/20/845686520.db2.gz WBQBWJMWLRPHPX-VGAPYMQISA-N 1 2 292.382 1.491 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)cn2ccnc12 ZINC001038542832 845734493 /nfs/dbraw/zinc/73/44/93/845734493.db2.gz MLRKXSQXOZCLAU-CYBMUJFWSA-N 1 2 282.347 1.080 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)cn2ccnc12 ZINC001038542832 845734499 /nfs/dbraw/zinc/73/44/99/845734499.db2.gz MLRKXSQXOZCLAU-CYBMUJFWSA-N 1 2 282.347 1.080 20 30 CDEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1C[C@@]12CCOC2 ZINC000886276989 845739581 /nfs/dbraw/zinc/73/95/81/845739581.db2.gz CLCABAWHOKWXDO-CZUORRHYSA-N 1 2 279.380 1.690 20 30 CDEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@H]1C[C@@]12CCOC2 ZINC000886276989 845739589 /nfs/dbraw/zinc/73/95/89/845739589.db2.gz CLCABAWHOKWXDO-CZUORRHYSA-N 1 2 279.380 1.690 20 30 CDEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)C1CC1 ZINC001027708777 845821080 /nfs/dbraw/zinc/82/10/80/845821080.db2.gz XRRNEIRCDJSVDY-NSHDSACASA-N 1 2 287.201 1.886 20 30 CDEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)C1CC1 ZINC001027708777 845821081 /nfs/dbraw/zinc/82/10/81/845821081.db2.gz XRRNEIRCDJSVDY-NSHDSACASA-N 1 2 287.201 1.886 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000884071170 845848576 /nfs/dbraw/zinc/84/85/76/845848576.db2.gz LEKLKLDJBBFSDC-MELADBBJSA-N 1 2 288.347 1.105 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cscn1)CO2 ZINC001053752733 845894634 /nfs/dbraw/zinc/89/46/34/845894634.db2.gz FPAOAYYCICDXNV-NSHDSACASA-N 1 2 293.392 1.292 20 30 CDEDLO COC(=O)[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)C(C)C ZINC000886127115 846001404 /nfs/dbraw/zinc/00/14/04/846001404.db2.gz BOAJTHZHSMMQGF-RYUDHWBXSA-N 1 2 268.357 1.218 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](CCF)C1 ZINC000884410064 846027755 /nfs/dbraw/zinc/02/77/55/846027755.db2.gz YZMRNNFVHUSRJZ-RYUDHWBXSA-N 1 2 286.347 1.031 20 30 CDEDLO C[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000864788238 846028667 /nfs/dbraw/zinc/02/86/67/846028667.db2.gz CUMCAZQLYMOQGW-PYLYLYNFSA-N 1 2 299.374 1.624 20 30 CDEDLO C=C(C)C[C@H](CO)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000883006082 846049098 /nfs/dbraw/zinc/04/90/98/846049098.db2.gz ILDYQQCEXOBDRQ-WDEREUQCSA-N 1 2 266.345 1.008 20 30 CDEDLO C=C(C)C[C@H](CO)Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000883006082 846049107 /nfs/dbraw/zinc/04/91/07/846049107.db2.gz ILDYQQCEXOBDRQ-WDEREUQCSA-N 1 2 266.345 1.008 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C1(C#N)CC(C)C1 ZINC000874704346 846112857 /nfs/dbraw/zinc/11/28/57/846112857.db2.gz IMDWMCYEIOSHLM-OWYJLGKBSA-N 1 2 279.384 1.153 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)C1(C#N)CC(C)C1 ZINC000874704346 846112861 /nfs/dbraw/zinc/11/28/61/846112861.db2.gz IMDWMCYEIOSHLM-OWYJLGKBSA-N 1 2 279.384 1.153 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C ZINC001032258284 846113626 /nfs/dbraw/zinc/11/36/26/846113626.db2.gz NWERKLJGZAIZFQ-GJZGRUSLSA-N 1 2 268.360 1.917 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C ZINC001032258284 846113630 /nfs/dbraw/zinc/11/36/30/846113630.db2.gz NWERKLJGZAIZFQ-GJZGRUSLSA-N 1 2 268.360 1.917 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCC3(C2)OCCO3)s1 ZINC000131022250 846118133 /nfs/dbraw/zinc/11/81/33/846118133.db2.gz RNMLSBHPNIZLGE-UHFFFAOYSA-N 1 2 250.323 1.569 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCC3(C2)OCCO3)s1 ZINC000131022250 846118143 /nfs/dbraw/zinc/11/81/43/846118143.db2.gz RNMLSBHPNIZLGE-UHFFFAOYSA-N 1 2 250.323 1.569 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(F)(F)CC1)C1CC1 ZINC000796540069 846126347 /nfs/dbraw/zinc/12/63/47/846126347.db2.gz GDJNESJCAMQPOC-LBPRGKRZSA-N 1 2 271.311 1.526 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(Cl)c1 ZINC001018060685 846140267 /nfs/dbraw/zinc/14/02/67/846140267.db2.gz ZAOWPYXDECJOST-OKILXGFUSA-N 1 2 289.766 1.657 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(Cl)c1 ZINC001018060685 846140271 /nfs/dbraw/zinc/14/02/71/846140271.db2.gz ZAOWPYXDECJOST-OKILXGFUSA-N 1 2 289.766 1.657 20 30 CDEDLO C=CCN(CC=C)C(=O)CN1CCc2c([nH+]cn2CC)C1 ZINC000933263691 846165890 /nfs/dbraw/zinc/16/58/90/846165890.db2.gz NAIMXLCVPAAOJG-UHFFFAOYSA-N 1 2 288.395 1.462 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC(O)CC1 ZINC001017513545 846218512 /nfs/dbraw/zinc/21/85/12/846218512.db2.gz GYQAKZICHJEMNR-IRHLINNNSA-N 1 2 290.407 1.236 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC(O)CC1 ZINC001017513545 846218523 /nfs/dbraw/zinc/21/85/23/846218523.db2.gz GYQAKZICHJEMNR-IRHLINNNSA-N 1 2 290.407 1.236 20 30 CDEDLO CCC(CC)C(=O)N1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801910942 846242561 /nfs/dbraw/zinc/24/25/61/846242561.db2.gz YWSVEHOAXVMTML-ZDUSSCGKSA-N 1 2 281.400 1.495 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2nc(C)sc2C)C1 ZINC001030527884 846295707 /nfs/dbraw/zinc/29/57/07/846295707.db2.gz XILAQBKGRMNKSX-UHFFFAOYSA-N 1 2 277.393 1.126 20 30 CDEDLO C=CC(C)(C)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868703369 846344263 /nfs/dbraw/zinc/34/42/63/846344263.db2.gz GKYUBNRTYNZPOT-AATRIKPKSA-N 1 2 252.358 1.203 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)C#CC(C)(C)C)[NH+]1CCOCC1 ZINC000837399301 846353169 /nfs/dbraw/zinc/35/31/69/846353169.db2.gz RFVVVEJKWVCCDI-QWHCGFSZSA-N 1 2 266.385 1.261 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2n[nH]c(CC)c2Cl)C1 ZINC001030459702 846374875 /nfs/dbraw/zinc/37/48/75/846374875.db2.gz FBKMFTQVXJRURB-UHFFFAOYSA-N 1 2 280.759 1.063 20 30 CDEDLO CCc1ccc(C#CC(=O)NCc2c[nH+]cn2C)cc1 ZINC000293610495 846428719 /nfs/dbraw/zinc/42/87/19/846428719.db2.gz HNORYKOXXCHREN-UHFFFAOYSA-N 1 2 267.332 1.650 20 30 CDEDLO N#C[C@@H]1CCC[N@@H+](C[C@@H](O)COCc2ccco2)C1 ZINC000932161871 846536327 /nfs/dbraw/zinc/53/63/27/846536327.db2.gz NXTPFNPMNFZUQY-QWHCGFSZSA-N 1 2 264.325 1.393 20 30 CDEDLO N#C[C@@H]1CCC[N@H+](C[C@@H](O)COCc2ccco2)C1 ZINC000932161871 846536335 /nfs/dbraw/zinc/53/63/35/846536335.db2.gz NXTPFNPMNFZUQY-QWHCGFSZSA-N 1 2 264.325 1.393 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)C(F)F)[C@@H]2C1 ZINC001049945136 846552226 /nfs/dbraw/zinc/55/22/26/846552226.db2.gz UFZMUEUPGRXJCD-VHSXEESVSA-N 1 2 278.730 1.927 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)C(F)F)[C@@H]2C1 ZINC001049945136 846552229 /nfs/dbraw/zinc/55/22/29/846552229.db2.gz UFZMUEUPGRXJCD-VHSXEESVSA-N 1 2 278.730 1.927 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1CC3(CC3)C1)CCO2 ZINC001053423958 846582946 /nfs/dbraw/zinc/58/29/46/846582946.db2.gz QUINKRDTXQWAEL-UHFFFAOYSA-N 1 2 290.407 1.666 20 30 CDEDLO Cc1cccnc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC001017421504 846628118 /nfs/dbraw/zinc/62/81/18/846628118.db2.gz FTSNQMPAFHKIBJ-SOUVJXGZSA-N 1 2 298.390 1.725 20 30 CDEDLO Cc1cccnc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC001017421504 846628124 /nfs/dbraw/zinc/62/81/24/846628124.db2.gz FTSNQMPAFHKIBJ-SOUVJXGZSA-N 1 2 298.390 1.725 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2c(O)cccc2Cl)C1 ZINC000923562928 846640935 /nfs/dbraw/zinc/64/09/35/846640935.db2.gz OFDCKJTVZWXYSH-NSHDSACASA-N 1 2 292.766 1.873 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2c(O)cccc2Cl)C1 ZINC000923562928 846640941 /nfs/dbraw/zinc/64/09/41/846640941.db2.gz OFDCKJTVZWXYSH-NSHDSACASA-N 1 2 292.766 1.873 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)co1 ZINC001051077042 846658117 /nfs/dbraw/zinc/65/81/17/846658117.db2.gz BPFKXUJROINNEV-AWEZNQCLSA-N 1 2 292.379 1.985 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)co1 ZINC001051077042 846658122 /nfs/dbraw/zinc/65/81/22/846658122.db2.gz BPFKXUJROINNEV-AWEZNQCLSA-N 1 2 292.379 1.985 20 30 CDEDLO Cn1nncc1N[NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000814984475 846693372 /nfs/dbraw/zinc/69/33/72/846693372.db2.gz ZPHUDIHHDVFJMS-SECBINFHSA-N 1 2 268.324 1.934 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccncc1Cl ZINC001038740676 846810448 /nfs/dbraw/zinc/81/04/48/846810448.db2.gz SPEPCXVRBCYXHF-JTQLQIEISA-N 1 2 263.728 1.172 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccncc1Cl ZINC001038740676 846810453 /nfs/dbraw/zinc/81/04/53/846810453.db2.gz SPEPCXVRBCYXHF-JTQLQIEISA-N 1 2 263.728 1.172 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CCCC)C1CC1 ZINC000884089971 846812474 /nfs/dbraw/zinc/81/24/74/846812474.db2.gz GEOZMCWQEPPORO-LBPRGKRZSA-N 1 2 268.357 1.224 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(F)cc2Cl)C1 ZINC001031345630 846823727 /nfs/dbraw/zinc/82/37/27/846823727.db2.gz XMFIKHKOCRHZPY-UHFFFAOYSA-N 1 2 280.730 1.916 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1csc(Cl)n1 ZINC001038890607 846832146 /nfs/dbraw/zinc/83/21/46/846832146.db2.gz IXMSPJLTHDTZTR-SECBINFHSA-N 1 2 283.784 1.624 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1csc(Cl)n1 ZINC001038890607 846832149 /nfs/dbraw/zinc/83/21/49/846832149.db2.gz IXMSPJLTHDTZTR-SECBINFHSA-N 1 2 283.784 1.624 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001028082545 846851095 /nfs/dbraw/zinc/85/10/95/846851095.db2.gz KBCBYNKXAAOPGW-DLOVCJGASA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001028082545 846851097 /nfs/dbraw/zinc/85/10/97/846851097.db2.gz KBCBYNKXAAOPGW-DLOVCJGASA-N 1 2 256.777 1.976 20 30 CDEDLO CCCCCCNC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000829968703 846859472 /nfs/dbraw/zinc/85/94/72/846859472.db2.gz KIAWXOVKXKVIKW-CQSZACIVSA-N 1 2 267.373 1.033 20 30 CDEDLO CCCCCCNC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000829968703 846859474 /nfs/dbraw/zinc/85/94/74/846859474.db2.gz KIAWXOVKXKVIKW-CQSZACIVSA-N 1 2 267.373 1.033 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000253452333 846874681 /nfs/dbraw/zinc/87/46/81/846874681.db2.gz FCDWQZAODJXCNF-UHFFFAOYSA-N 1 2 262.328 1.698 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CC2(C)CCC2)C1 ZINC000885508785 846877869 /nfs/dbraw/zinc/87/78/69/846877869.db2.gz LBJXCFVHTVLIBE-ZDUSSCGKSA-N 1 2 284.425 1.194 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CC2(C)CCC2)C1 ZINC000885508785 846877878 /nfs/dbraw/zinc/87/78/78/846877878.db2.gz LBJXCFVHTVLIBE-ZDUSSCGKSA-N 1 2 284.425 1.194 20 30 CDEDLO C#Cc1cncc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000857943327 846887036 /nfs/dbraw/zinc/88/70/36/846887036.db2.gz HRIKLILLQXDHAO-CYBMUJFWSA-N 1 2 266.304 1.004 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cncc(COC)c1 ZINC001038357373 846890113 /nfs/dbraw/zinc/89/01/13/846890113.db2.gz IOZJDMCLCXLHSR-HNNXBMFYSA-N 1 2 287.363 1.055 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cncc(COC)c1 ZINC001038357373 846890116 /nfs/dbraw/zinc/89/01/16/846890116.db2.gz IOZJDMCLCXLHSR-HNNXBMFYSA-N 1 2 287.363 1.055 20 30 CDEDLO CCC[C@@H]1C[N@H+](CCO[C@H](C)C#N)CCN1CCOC ZINC000801941276 846932947 /nfs/dbraw/zinc/93/29/47/846932947.db2.gz XZCGXJVKMPDBKI-HUUCEWRRSA-N 1 2 283.416 1.348 20 30 CDEDLO CCC[C@@H]1C[N@@H+](CCO[C@H](C)C#N)CCN1CCOC ZINC000801941276 846932951 /nfs/dbraw/zinc/93/29/51/846932951.db2.gz XZCGXJVKMPDBKI-HUUCEWRRSA-N 1 2 283.416 1.348 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccnn2CC)C1 ZINC001046270994 846935092 /nfs/dbraw/zinc/93/50/92/846935092.db2.gz WONCMFVBABLCCA-CQSZACIVSA-N 1 2 296.802 1.850 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccnn2CC)C1 ZINC001046270994 846935099 /nfs/dbraw/zinc/93/50/99/846935099.db2.gz WONCMFVBABLCCA-CQSZACIVSA-N 1 2 296.802 1.850 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2c(C)oc(C)c2C)C1 ZINC001035437538 846941074 /nfs/dbraw/zinc/94/10/74/846941074.db2.gz CFDRJKCIECHGTK-AWEZNQCLSA-N 1 2 292.379 1.821 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2c(C)oc(C)c2C)C1 ZINC001035437538 846941076 /nfs/dbraw/zinc/94/10/76/846941076.db2.gz CFDRJKCIECHGTK-AWEZNQCLSA-N 1 2 292.379 1.821 20 30 CDEDLO CO[C@H](C)c1noc(CO[NH+]=C(N)c2ccccc2)n1 ZINC000177526612 846941193 /nfs/dbraw/zinc/94/11/93/846941193.db2.gz YTBXSHSHBXPNQS-SECBINFHSA-N 1 2 276.296 1.614 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2c(C)noc2Cl)C1 ZINC001031098779 846943749 /nfs/dbraw/zinc/94/37/49/846943749.db2.gz MQFKLYJTSWDIOM-UHFFFAOYSA-N 1 2 283.759 1.555 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1CC3(CC3)C1)CO2 ZINC001053921078 846946291 /nfs/dbraw/zinc/94/62/91/846946291.db2.gz ACDOEWKLJRRUSV-AWEZNQCLSA-N 1 2 290.407 1.712 20 30 CDEDLO Cc1cc(=O)[nH]c(NN=Cc2c[nH+]ccc2N(C)C)n1 ZINC000776176949 846973859 /nfs/dbraw/zinc/97/38/59/846973859.db2.gz FPYKXBVZKCRQQR-UHFFFAOYSA-N 1 2 272.312 1.398 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnnc(C)c2)C1 ZINC001033050647 847039222 /nfs/dbraw/zinc/03/92/22/847039222.db2.gz XHVMBIJMGLJVQY-CYBMUJFWSA-N 1 2 294.786 1.684 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnnc(C)c2)C1 ZINC001033050647 847039232 /nfs/dbraw/zinc/03/92/32/847039232.db2.gz XHVMBIJMGLJVQY-CYBMUJFWSA-N 1 2 294.786 1.684 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccsn1)CO2 ZINC001053839326 847046972 /nfs/dbraw/zinc/04/69/72/847046972.db2.gz BSXYOTADPXKUAI-LLVKDONJSA-N 1 2 293.392 1.292 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(OCC)c1 ZINC001038747055 847060148 /nfs/dbraw/zinc/06/01/48/847060148.db2.gz GPAIFCHGSFATBH-HNNXBMFYSA-N 1 2 286.375 1.913 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(OCC)c1 ZINC001038747055 847060153 /nfs/dbraw/zinc/06/01/53/847060153.db2.gz GPAIFCHGSFATBH-HNNXBMFYSA-N 1 2 286.375 1.913 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(CCC)c1 ZINC001032460035 847064892 /nfs/dbraw/zinc/06/48/92/847064892.db2.gz XYUHHVCWLJQIFR-HOTGVXAUSA-N 1 2 283.375 1.566 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(CCC)c1 ZINC001032460035 847064896 /nfs/dbraw/zinc/06/48/96/847064896.db2.gz XYUHHVCWLJQIFR-HOTGVXAUSA-N 1 2 283.375 1.566 20 30 CDEDLO C#Cc1cncc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)c1 ZINC000806772650 847071414 /nfs/dbraw/zinc/07/14/14/847071414.db2.gz VPYCLJCRSGWMRE-UHFFFAOYSA-N 1 2 279.299 1.361 20 30 CDEDLO C=C(C)CONC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000845589501 847253203 /nfs/dbraw/zinc/25/32/03/847253203.db2.gz GVBHXBPFXLNVNW-UHFFFAOYSA-N 1 2 276.340 1.421 20 30 CDEDLO C#CCC1(NC(=O)Cc2cn3c([nH+]2)CCCC3)CCC1 ZINC000886800094 847279214 /nfs/dbraw/zinc/27/92/14/847279214.db2.gz FRUCXYXPSDREOO-UHFFFAOYSA-N 1 2 271.364 1.824 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc(F)c(F)c2)C1 ZINC001030864487 847279462 /nfs/dbraw/zinc/27/94/62/847279462.db2.gz JJUNECJNZKHDND-UHFFFAOYSA-N 1 2 278.302 1.331 20 30 CDEDLO C#CCO[C@H](C)C(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC000842883451 847288227 /nfs/dbraw/zinc/28/82/27/847288227.db2.gz IPKFGGDEVQLAKM-GFCCVEGCSA-N 1 2 274.320 1.099 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCc3nccn3C2)C1 ZINC001043131861 847309376 /nfs/dbraw/zinc/30/93/76/847309376.db2.gz AVPGQBVQMVRPJK-ZDUSSCGKSA-N 1 2 288.395 1.164 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H](C)CO1 ZINC001017753951 847310377 /nfs/dbraw/zinc/31/03/77/847310377.db2.gz SJYHZPBECREOKG-XQLPTFJDSA-N 1 2 276.380 1.110 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H](C)CO1 ZINC001017753951 847310385 /nfs/dbraw/zinc/31/03/85/847310385.db2.gz SJYHZPBECREOKG-XQLPTFJDSA-N 1 2 276.380 1.110 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc[nH]c1C)O2 ZINC001053589881 847316807 /nfs/dbraw/zinc/31/68/07/847316807.db2.gz UATCSUYYDAQECB-CYBMUJFWSA-N 1 2 289.379 1.472 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC001043425744 847323705 /nfs/dbraw/zinc/32/37/05/847323705.db2.gz HMKBCQXPUNFYCO-UHFFFAOYSA-N 1 2 285.351 1.209 20 30 CDEDLO Cc1cc(NC[C@@H](O)CN(C)CCC#N)ccc1[NH+](C)C ZINC000819407882 847331824 /nfs/dbraw/zinc/33/18/24/847331824.db2.gz FBQPQDHPXSJXFT-OAHLLOKOSA-N 1 2 290.411 1.679 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccn2C)C1 ZINC001032929622 847333185 /nfs/dbraw/zinc/33/31/85/847333185.db2.gz XDIBWIUFSCUUDR-GFCCVEGCSA-N 1 2 281.787 1.924 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccn2C)C1 ZINC001032929622 847333189 /nfs/dbraw/zinc/33/31/89/847333189.db2.gz XDIBWIUFSCUUDR-GFCCVEGCSA-N 1 2 281.787 1.924 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1csc(COC)n1 ZINC001039069470 847334858 /nfs/dbraw/zinc/33/48/58/847334858.db2.gz CUTBCHYYRGOCHP-JTQLQIEISA-N 1 2 281.381 1.280 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1csc(COC)n1 ZINC001039069470 847334863 /nfs/dbraw/zinc/33/48/63/847334863.db2.gz CUTBCHYYRGOCHP-JTQLQIEISA-N 1 2 281.381 1.280 20 30 CDEDLO C=C(C)CC[NH+]1CC(NC(=O)c2cc(Cl)no2)C1 ZINC001031290966 847387618 /nfs/dbraw/zinc/38/76/18/847387618.db2.gz DVVDHKPBVKGTND-UHFFFAOYSA-N 1 2 269.732 1.708 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ncccn1 ZINC001028216578 847411494 /nfs/dbraw/zinc/41/14/94/847411494.db2.gz KYDXNQVBGNUHBV-LLVKDONJSA-N 1 2 280.759 1.423 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ncccn1 ZINC001028216578 847411501 /nfs/dbraw/zinc/41/15/01/847411501.db2.gz KYDXNQVBGNUHBV-LLVKDONJSA-N 1 2 280.759 1.423 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2nnc[nH]2)C1 ZINC001025561613 847478214 /nfs/dbraw/zinc/47/82/14/847478214.db2.gz MMLJXSXWZADCGO-MNOVXSKESA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2nnc[nH]2)C1 ZINC001025561613 847478227 /nfs/dbraw/zinc/47/82/27/847478227.db2.gz MMLJXSXWZADCGO-MNOVXSKESA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ncn[nH]2)C1 ZINC001025561613 847478230 /nfs/dbraw/zinc/47/82/30/847478230.db2.gz MMLJXSXWZADCGO-MNOVXSKESA-N 1 2 297.790 1.388 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ncn[nH]2)C1 ZINC001025561613 847478234 /nfs/dbraw/zinc/47/82/34/847478234.db2.gz MMLJXSXWZADCGO-MNOVXSKESA-N 1 2 297.790 1.388 20 30 CDEDLO C[C@@H]1C[C@@H](NCC#N)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC001044678753 847483745 /nfs/dbraw/zinc/48/37/45/847483745.db2.gz YMGYGWQMFGBWFS-OLZOCXBDSA-N 1 2 297.362 1.441 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(C)n1 ZINC001018281983 847589422 /nfs/dbraw/zinc/58/94/22/847589422.db2.gz MGPQISIIZNFPTE-BETUJISGSA-N 1 2 272.352 1.260 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(C)n1 ZINC001018281983 847589429 /nfs/dbraw/zinc/58/94/29/847589429.db2.gz MGPQISIIZNFPTE-BETUJISGSA-N 1 2 272.352 1.260 20 30 CDEDLO CC[C@H](F)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C#N)c[nH]1 ZINC001032338006 847594118 /nfs/dbraw/zinc/59/41/18/847594118.db2.gz MBVPRLAMLLYDSG-AVGNSLFASA-N 1 2 290.342 1.533 20 30 CDEDLO CC[C@H](F)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C#N)c[nH]1 ZINC001032338006 847594121 /nfs/dbraw/zinc/59/41/21/847594121.db2.gz MBVPRLAMLLYDSG-AVGNSLFASA-N 1 2 290.342 1.533 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cncc(CC)c1 ZINC001038514685 847607848 /nfs/dbraw/zinc/60/78/48/847607848.db2.gz QLFADDPXSXEZGB-OAHLLOKOSA-N 1 2 271.364 1.471 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cncc(CC)c1 ZINC001038514685 847607857 /nfs/dbraw/zinc/60/78/57/847607857.db2.gz QLFADDPXSXEZGB-OAHLLOKOSA-N 1 2 271.364 1.471 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c(C)cccc2C)C1 ZINC001030999327 847608637 /nfs/dbraw/zinc/60/86/37/847608637.db2.gz NPKNZTLZSWGNKL-UHFFFAOYSA-N 1 2 256.349 1.741 20 30 CDEDLO C=C(Br)CNc1nc[nH+]c(N)c1OC ZINC000848658602 847636021 /nfs/dbraw/zinc/63/60/21/847636021.db2.gz YFSJGSCXCCGUGU-UHFFFAOYSA-N 1 2 259.107 1.388 20 30 CDEDLO C=C(Br)CNc1[nH+]cnc(N)c1OC ZINC000848658602 847636030 /nfs/dbraw/zinc/63/60/30/847636030.db2.gz YFSJGSCXCCGUGU-UHFFFAOYSA-N 1 2 259.107 1.388 20 30 CDEDLO C=CCn1c(C)nn(C[N@H+](C)C[C@@H]2CCOC2)c1=S ZINC000176104547 847647385 /nfs/dbraw/zinc/64/73/85/847647385.db2.gz HQJXPDZSCTWPBG-LBPRGKRZSA-N 1 2 282.413 1.834 20 30 CDEDLO C=CCn1c(C)nn(C[N@@H+](C)C[C@@H]2CCOC2)c1=S ZINC000176104547 847647392 /nfs/dbraw/zinc/64/73/92/847647392.db2.gz HQJXPDZSCTWPBG-LBPRGKRZSA-N 1 2 282.413 1.834 20 30 CDEDLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000805470626 847686952 /nfs/dbraw/zinc/68/69/52/847686952.db2.gz RWMVHQAXNVRKMJ-SWLSCSKDSA-N 1 2 288.347 1.883 20 30 CDEDLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000805470626 847686959 /nfs/dbraw/zinc/68/69/59/847686959.db2.gz RWMVHQAXNVRKMJ-SWLSCSKDSA-N 1 2 288.347 1.883 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1cccnc1 ZINC001018182803 847705712 /nfs/dbraw/zinc/70/57/12/847705712.db2.gz KYYRFSLPRAOYKS-BHYGNILZSA-N 1 2 297.402 1.884 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1cccnc1 ZINC001018182803 847705717 /nfs/dbraw/zinc/70/57/17/847705717.db2.gz KYYRFSLPRAOYKS-BHYGNILZSA-N 1 2 297.402 1.884 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[C@H]1CCCC[C@H]1C ZINC000884134691 847730501 /nfs/dbraw/zinc/73/05/01/847730501.db2.gz ONXQXKAPMJURQW-MCIONIFRSA-N 1 2 296.411 1.766 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)C2CC2)s1 ZINC001037994580 847795915 /nfs/dbraw/zinc/79/59/15/847795915.db2.gz QYJGBYRJEKXSEL-LLVKDONJSA-N 1 2 275.377 1.720 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)C2CC2)s1 ZINC001037994580 847795926 /nfs/dbraw/zinc/79/59/26/847795926.db2.gz QYJGBYRJEKXSEL-LLVKDONJSA-N 1 2 275.377 1.720 20 30 CDEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000182614938 847916265 /nfs/dbraw/zinc/91/62/65/847916265.db2.gz KWTMCCMLFMURAU-ZDUSSCGKSA-N 1 2 251.330 1.172 20 30 CDEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000182614938 847916269 /nfs/dbraw/zinc/91/62/69/847916269.db2.gz KWTMCCMLFMURAU-ZDUSSCGKSA-N 1 2 251.330 1.172 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2occc2Cl)C1 ZINC001015657236 847998974 /nfs/dbraw/zinc/99/89/74/847998974.db2.gz MNWKZGFIFUGPCG-VIFPVBQESA-N 1 2 252.701 1.370 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2occc2Cl)C1 ZINC001015657236 847998981 /nfs/dbraw/zinc/99/89/81/847998981.db2.gz MNWKZGFIFUGPCG-VIFPVBQESA-N 1 2 252.701 1.370 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnc(C)n2C)C1 ZINC001046570210 848019060 /nfs/dbraw/zinc/01/90/60/848019060.db2.gz WZEVXMYQCOVHCA-AWEZNQCLSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnc(C)n2C)C1 ZINC001046570210 848019065 /nfs/dbraw/zinc/01/90/65/848019065.db2.gz WZEVXMYQCOVHCA-AWEZNQCLSA-N 1 2 296.802 1.675 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c([nH]1)CCCC2 ZINC001032717591 848028119 /nfs/dbraw/zinc/02/81/19/848028119.db2.gz LUPXBGLKXPCQBX-KBPBESRZSA-N 1 2 283.375 1.425 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c([nH]1)CCCC2 ZINC001032717591 848028125 /nfs/dbraw/zinc/02/81/25/848028125.db2.gz LUPXBGLKXPCQBX-KBPBESRZSA-N 1 2 283.375 1.425 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)CN[C@H](c1ccccc1)C(F)F ZINC001646517285 1167895365 /nfs/dbraw/zinc/89/53/65/1167895365.db2.gz RJSTVHKOLZQEEX-ZIAGYGMSSA-N 1 2 297.349 1.789 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)CN[C@H](c1ccccc1)C(F)F ZINC001646517285 1167895370 /nfs/dbraw/zinc/89/53/70/1167895370.db2.gz RJSTVHKOLZQEEX-ZIAGYGMSSA-N 1 2 297.349 1.789 20 30 CDEDLO C=CCCC(=O)N1CC[C@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001095107335 912456777 /nfs/dbraw/zinc/45/67/77/912456777.db2.gz SNHWSVVGEGPZOV-ZDUSSCGKSA-N 1 2 274.368 1.788 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCOC1)C2 ZINC001095220082 912622104 /nfs/dbraw/zinc/62/21/04/912622104.db2.gz YFEVROBWKXKSES-NDBYEHHHSA-N 1 2 284.787 1.497 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCOC1)C2 ZINC001095220082 912622108 /nfs/dbraw/zinc/62/21/08/912622108.db2.gz YFEVROBWKXKSES-NDBYEHHHSA-N 1 2 284.787 1.497 20 30 CDEDLO C=CC[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)C(=O)OC ZINC001173660641 912690870 /nfs/dbraw/zinc/69/08/70/912690870.db2.gz ZWTIWKKAFYTSJN-LLVKDONJSA-N 1 2 294.317 1.720 20 30 CDEDLO C#CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn[nH]c1 ZINC001272346492 912905058 /nfs/dbraw/zinc/90/50/58/912905058.db2.gz URAHNQWYIOHDLT-OKILXGFUSA-N 1 2 286.379 1.244 20 30 CDEDLO C#CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn[nH]c1 ZINC001272346492 912905070 /nfs/dbraw/zinc/90/50/70/912905070.db2.gz URAHNQWYIOHDLT-OKILXGFUSA-N 1 2 286.379 1.244 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2CC[C@H](C)O2)C1 ZINC001030896366 913039274 /nfs/dbraw/zinc/03/92/74/913039274.db2.gz VANIXQLPTBCPQT-AAEUAGOBSA-N 1 2 252.358 1.321 20 30 CDEDLO C=CCN1C(=O)COCC12C[NH+](CCCC(F)(F)F)C2 ZINC001272506403 913319273 /nfs/dbraw/zinc/31/92/73/913319273.db2.gz MBNDFDXUTSYXHL-UHFFFAOYSA-N 1 2 292.301 1.428 20 30 CDEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cc[nH]n2)C1=O ZINC001272541898 913400583 /nfs/dbraw/zinc/40/05/83/913400583.db2.gz IKHKWVHECLSDDB-HNNXBMFYSA-N 1 2 274.368 1.553 20 30 CDEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cc[nH]n2)C1=O ZINC001272541898 913400596 /nfs/dbraw/zinc/40/05/96/913400596.db2.gz IKHKWVHECLSDDB-HNNXBMFYSA-N 1 2 274.368 1.553 20 30 CDEDLO Cn1cc(Nc2ccc(N3CCOCC3)[nH+]c2)c(C#N)n1 ZINC001174975274 913404378 /nfs/dbraw/zinc/40/43/78/913404378.db2.gz STZMWHJNBBFHQJ-UHFFFAOYSA-N 1 2 284.323 1.267 20 30 CDEDLO C[C@@H](CCNc1ccc(C#N)nc1)NC(=O)Cn1cc[nH+]c1 ZINC001106362235 913882883 /nfs/dbraw/zinc/88/28/83/913882883.db2.gz LDNAHRVMNDDZIR-LBPRGKRZSA-N 1 2 298.350 1.157 20 30 CDEDLO C#Cc1nc(Br)cnc1Nc1[nH]cc[nH+]1 ZINC001176080750 913925075 /nfs/dbraw/zinc/92/50/75/913925075.db2.gz WYJIJFLWJLUCPR-UHFFFAOYSA-N 1 2 264.086 1.687 20 30 CDEDLO C[C@H]1C[NH+](C2CN(Cc3cc(C#N)n(C)c3)C2)C[C@H](C)O1 ZINC001207109222 895581877 /nfs/dbraw/zinc/58/18/77/895581877.db2.gz VGYBXMGBZKWXCN-STQMWFEESA-N 1 2 288.395 1.190 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(C)C)C1 ZINC001267743014 899519070 /nfs/dbraw/zinc/51/90/70/899519070.db2.gz IFPPAZCUWNBLLU-CYBMUJFWSA-N 1 2 295.427 1.161 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(C)C)C1 ZINC001267743014 899519081 /nfs/dbraw/zinc/51/90/81/899519081.db2.gz IFPPAZCUWNBLLU-CYBMUJFWSA-N 1 2 295.427 1.161 20 30 CDEDLO C[C@H](CNc1ccc(C#N)nc1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001104825215 899548676 /nfs/dbraw/zinc/54/86/76/899548676.db2.gz BCMDHGCFMWVUIQ-LLVKDONJSA-N 1 2 298.350 1.178 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCSC)C[C@H]21 ZINC001176906257 914386645 /nfs/dbraw/zinc/38/66/45/914386645.db2.gz GWSMWIMMDCPKJP-ZIAGYGMSSA-N 1 2 298.452 1.617 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCSC)C[C@H]21 ZINC001176906257 914386663 /nfs/dbraw/zinc/38/66/63/914386663.db2.gz GWSMWIMMDCPKJP-ZIAGYGMSSA-N 1 2 298.452 1.617 20 30 CDEDLO CN(CC(=O)N1CCCC[C@H]1C#N)c1cccc[nH+]1 ZINC001177410683 914669078 /nfs/dbraw/zinc/66/90/78/914669078.db2.gz ZGYHMBOUCJUGCP-LBPRGKRZSA-N 1 2 258.325 1.422 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cccn1C ZINC001268722126 903020810 /nfs/dbraw/zinc/02/08/10/903020810.db2.gz OADMFAZNKZWYFZ-NSHDSACASA-N 1 2 269.776 1.828 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cccn1C ZINC001268722126 903020823 /nfs/dbraw/zinc/02/08/23/903020823.db2.gz OADMFAZNKZWYFZ-NSHDSACASA-N 1 2 269.776 1.828 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)Oc1cccc(F)c1C#N ZINC001225975563 904534026 /nfs/dbraw/zinc/53/40/26/904534026.db2.gz SBHGVOLWITZJHI-NSHDSACASA-N 1 2 264.300 1.797 20 30 CDEDLO CC1(C)C[C@H](NC(=O)Cn2cc[nH+]c2)CCN(CC#N)C1 ZINC001089568248 914823097 /nfs/dbraw/zinc/82/30/97/914823097.db2.gz IIHNEHARPNKJSA-CYBMUJFWSA-N 1 2 289.383 1.013 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2[nH]ncc2F)[C@H]1CC ZINC001087714919 905783005 /nfs/dbraw/zinc/78/30/05/905783005.db2.gz KIQJMONFVAMFBO-NWDGAFQWSA-N 1 2 278.331 1.155 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2[nH]ncc2F)[C@H]1CC ZINC001087714919 905783009 /nfs/dbraw/zinc/78/30/09/905783009.db2.gz KIQJMONFVAMFBO-NWDGAFQWSA-N 1 2 278.331 1.155 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128463854 921320385 /nfs/dbraw/zinc/32/03/85/921320385.db2.gz ZBRJBQHOQFACHX-ZDUSSCGKSA-N 1 2 290.411 1.937 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128463854 921320394 /nfs/dbraw/zinc/32/03/94/921320394.db2.gz ZBRJBQHOQFACHX-ZDUSSCGKSA-N 1 2 290.411 1.937 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(=O)[nH]2)[C@H]1C ZINC001088510079 907571783 /nfs/dbraw/zinc/57/17/83/907571783.db2.gz NYBDUHAKPPIFEP-MNOVXSKESA-N 1 2 295.770 1.732 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(=O)[nH]2)[C@H]1C ZINC001088510079 907571790 /nfs/dbraw/zinc/57/17/90/907571790.db2.gz NYBDUHAKPPIFEP-MNOVXSKESA-N 1 2 295.770 1.732 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001093189589 909693019 /nfs/dbraw/zinc/69/30/19/909693019.db2.gz CTWKGNCUBJBEGQ-STQMWFEESA-N 1 2 288.395 1.892 20 30 CDEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3C[C@H]3C)CC2)C1 ZINC001093502886 909920431 /nfs/dbraw/zinc/92/04/31/909920431.db2.gz NGKPMOVDIPKIPF-CJNGLKHVSA-N 1 2 292.423 1.910 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2nccs2)C1=O ZINC001273014153 921535333 /nfs/dbraw/zinc/53/53/33/921535333.db2.gz LEUJXLIFJVHNFE-CQSZACIVSA-N 1 2 277.393 1.896 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2nccs2)C1=O ZINC001273014153 921535340 /nfs/dbraw/zinc/53/53/40/921535340.db2.gz LEUJXLIFJVHNFE-CQSZACIVSA-N 1 2 277.393 1.896 20 30 CDEDLO Cc1ccc(C#N)c(NCCNC(=O)CCc2c[nH]c[nH+]2)n1 ZINC001094224961 910416109 /nfs/dbraw/zinc/41/61/09/910416109.db2.gz JWSVSKQEHPMXNT-UHFFFAOYSA-N 1 2 298.350 1.146 20 30 CDEDLO Cc1ccc(C#N)c(NCCNC(=O)CCc2c[nH+]c[nH]2)n1 ZINC001094224961 910416117 /nfs/dbraw/zinc/41/61/17/910416117.db2.gz JWSVSKQEHPMXNT-UHFFFAOYSA-N 1 2 298.350 1.146 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ncn(-c2ccccc2)n1 ZINC001038378789 910736392 /nfs/dbraw/zinc/73/63/92/910736392.db2.gz DHHAAUUQGAXAKD-AWEZNQCLSA-N 1 2 297.362 1.257 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ncn(-c2ccccc2)n1 ZINC001038378789 910736405 /nfs/dbraw/zinc/73/64/05/910736405.db2.gz DHHAAUUQGAXAKD-AWEZNQCLSA-N 1 2 297.362 1.257 20 30 CDEDLO N#Cc1ccc(NCCCNC(=O)CCn2cc[nH+]c2)nc1 ZINC001094690133 910739579 /nfs/dbraw/zinc/73/95/79/910739579.db2.gz WXPMZEDAUBLGJN-UHFFFAOYSA-N 1 2 298.350 1.158 20 30 CDEDLO Cc1ccc(C#N)c(NCCCNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001094807765 910789499 /nfs/dbraw/zinc/78/94/99/910789499.db2.gz BKQKVEKBGYBCJO-UHFFFAOYSA-N 1 2 298.350 1.146 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H](C)CCOC(C)C ZINC001172435191 911633941 /nfs/dbraw/zinc/63/39/41/911633941.db2.gz YYKUWLWUBWTUFA-QWRGUYRKSA-N 1 2 263.403 1.641 20 30 CDEDLO COC(=O)[C@H](Cc1c[nH+]cn1C)N[C@@H](C)CCCC#N ZINC001172488060 911727138 /nfs/dbraw/zinc/72/71/38/911727138.db2.gz KYQYGSDNGXILBK-AAEUAGOBSA-N 1 2 278.356 1.176 20 30 CDEDLO C#CC[C@H]([NH2+]C1CC(C)(C)OC(C)(C)C1)C(=O)OC ZINC001172651773 911823752 /nfs/dbraw/zinc/82/37/52/911823752.db2.gz HDWBYUOEFZROML-LBPRGKRZSA-N 1 2 267.369 1.877 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCc3ccc(OC)cc32)C1 ZINC001030453284 911854940 /nfs/dbraw/zinc/85/49/40/911854940.db2.gz BWKCENRNBLHJHE-MRXNPFEDSA-N 1 2 298.386 1.549 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001106067083 912138176 /nfs/dbraw/zinc/13/81/76/912138176.db2.gz PTDOPLHTDXMBAV-WCQYABFASA-N 1 2 292.383 1.276 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H]([N@H+](C)Cc2nocc2C)C1 ZINC001189925967 921728708 /nfs/dbraw/zinc/72/87/08/921728708.db2.gz JANZQOWUYNXJCH-AWEZNQCLSA-N 1 2 289.379 1.819 20 30 CDEDLO C#CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2nocc2C)C1 ZINC001189925967 921728716 /nfs/dbraw/zinc/72/87/16/921728716.db2.gz JANZQOWUYNXJCH-AWEZNQCLSA-N 1 2 289.379 1.819 20 30 CDEDLO N#CCN(Cc1ccccc1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178105083 915176098 /nfs/dbraw/zinc/17/60/98/915176098.db2.gz LHIPGSIDEDTVPF-HNNXBMFYSA-N 1 2 294.358 1.998 20 30 CDEDLO COc1cccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)c1C#N ZINC001178117840 915183062 /nfs/dbraw/zinc/18/30/62/915183062.db2.gz JFHQTFNHIWQWCS-NSHDSACASA-N 1 2 296.330 1.964 20 30 CDEDLO CC#CC[NH2+][C@H]1C[C@@H](NC(=O)c2[nH]ncc2F)C12CCC2 ZINC001203356879 915491645 /nfs/dbraw/zinc/49/16/45/915491645.db2.gz CDSMTKNLOQZTPP-NWDGAFQWSA-N 1 2 290.342 1.203 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@](C)(O)C(F)(F)F)CC1 ZINC001179808949 915991817 /nfs/dbraw/zinc/99/18/17/915991817.db2.gz WMHIYOPKQQKHFX-NSHDSACASA-N 1 2 280.290 1.020 20 30 CDEDLO C=CCCC(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001124636296 936326121 /nfs/dbraw/zinc/32/61/21/936326121.db2.gz LRQQODVIRDUWBD-NSHDSACASA-N 1 2 251.330 1.716 20 30 CDEDLO C=CCCC(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001124636464 936326877 /nfs/dbraw/zinc/32/68/77/936326877.db2.gz OPBVMSOQPFZXCP-UHFFFAOYSA-N 1 2 263.341 1.724 20 30 CDEDLO C=CCSCC(=O)NCCOc1cc[nH+]cc1 ZINC001180562276 916470733 /nfs/dbraw/zinc/47/07/33/916470733.db2.gz PLTSWESEEMYLMO-UHFFFAOYSA-N 1 2 252.339 1.496 20 30 CDEDLO CCN(CCNc1ccc(C#N)cn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001106960949 917459141 /nfs/dbraw/zinc/45/91/41/917459141.db2.gz BOEQDUQPTVIRIQ-UHFFFAOYSA-N 1 2 298.350 1.179 20 30 CDEDLO CC(C)(C)OC(=O)NC1C[NH+]([C@H]2CC[C@H](C#N)C2)C1 ZINC001254659940 936438227 /nfs/dbraw/zinc/43/82/27/936438227.db2.gz FFHIRRIRNHIMIU-JQWIXIFHSA-N 1 2 265.357 1.888 20 30 CDEDLO C#CCCCCC(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001182108629 917659487 /nfs/dbraw/zinc/65/94/87/917659487.db2.gz QDAXQNWMUWHQQJ-GFCCVEGCSA-N 1 2 292.408 1.422 20 30 CDEDLO C[C@H](C#N)C(=O)NCC[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001124908587 917760008 /nfs/dbraw/zinc/76/00/08/917760008.db2.gz NPNWYQFHBSSMER-SNVBAGLBSA-N 1 2 278.356 1.338 20 30 CDEDLO Cc1nc(NC/C=C/CNC(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001107126924 918150321 /nfs/dbraw/zinc/15/03/21/918150321.db2.gz GHHPUIYBRBSCKU-NSCUHMNNSA-N 1 2 296.334 1.383 20 30 CDEDLO N#CC1(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CCC1 ZINC001183744898 918672116 /nfs/dbraw/zinc/67/21/16/918672116.db2.gz NLLVGQYAICGISQ-AWEZNQCLSA-N 1 2 269.348 1.823 20 30 CDEDLO N#CC1(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CCC1 ZINC001183744898 918672123 /nfs/dbraw/zinc/67/21/23/918672123.db2.gz NLLVGQYAICGISQ-AWEZNQCLSA-N 1 2 269.348 1.823 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)SC ZINC001032356746 918714259 /nfs/dbraw/zinc/71/42/59/918714259.db2.gz XTVDNMIWRRHIJT-AVGNSLFASA-N 1 2 266.410 1.436 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)SC ZINC001032356746 918714271 /nfs/dbraw/zinc/71/42/71/918714271.db2.gz XTVDNMIWRRHIJT-AVGNSLFASA-N 1 2 266.410 1.436 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)/C=C(\C)C2CC2)C1 ZINC001107777782 918771890 /nfs/dbraw/zinc/77/18/90/918771890.db2.gz WKOLRERRUKUUJB-WKOYGUFESA-N 1 2 290.407 1.573 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)/C=C(\C)C2CC2)C1 ZINC001107777782 918771902 /nfs/dbraw/zinc/77/19/02/918771902.db2.gz WKOLRERRUKUUJB-WKOYGUFESA-N 1 2 290.407 1.573 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)/C(C)=C/CC)C1 ZINC001107784617 918779329 /nfs/dbraw/zinc/77/93/29/918779329.db2.gz XKSVPYVBKZFJBU-MYWXAZLQSA-N 1 2 266.385 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)/C(C)=C/CC)C1 ZINC001107784617 918779343 /nfs/dbraw/zinc/77/93/43/918779343.db2.gz XKSVPYVBKZFJBU-MYWXAZLQSA-N 1 2 266.385 1.736 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NC[C@]1(C)C[N@H+](CC=C)CCO1 ZINC001107794262 918783739 /nfs/dbraw/zinc/78/37/39/918783739.db2.gz YUMUFSLQLCMSGH-GDBMZVCRSA-N 1 2 296.411 1.361 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NC[C@]1(C)C[N@@H+](CC=C)CCO1 ZINC001107794262 918783743 /nfs/dbraw/zinc/78/37/43/918783743.db2.gz YUMUFSLQLCMSGH-GDBMZVCRSA-N 1 2 296.411 1.361 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)/C=C/C2CC2)C1 ZINC001107840850 918863937 /nfs/dbraw/zinc/86/39/37/918863937.db2.gz CXMNMDGPFGUFEO-KXPUMZMLSA-N 1 2 276.380 1.183 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)/C=C/C2CC2)C1 ZINC001107840850 918863949 /nfs/dbraw/zinc/86/39/49/918863949.db2.gz CXMNMDGPFGUFEO-KXPUMZMLSA-N 1 2 276.380 1.183 20 30 CDEDLO CCCC#CC(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001184271004 918962478 /nfs/dbraw/zinc/96/24/78/918962478.db2.gz LUXFLFGEJPTCJS-UHFFFAOYSA-N 1 2 285.391 1.572 20 30 CDEDLO N#CC1CN(Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC001138560782 936546410 /nfs/dbraw/zinc/54/64/10/936546410.db2.gz NMNIFQZJQIDZIQ-UHFFFAOYSA-N 1 2 252.321 1.887 20 30 CDEDLO C=CCCC[NH+]1CC2(C1)COCC(=O)N2CC(F)(F)F ZINC001273487371 919205811 /nfs/dbraw/zinc/20/58/11/919205811.db2.gz ITDJZOUJCNJPGX-UHFFFAOYSA-N 1 2 292.301 1.428 20 30 CDEDLO C=C(Cl)CN(C)CCNC(=O)CCCn1cc[nH+]c1 ZINC001390858883 919322515 /nfs/dbraw/zinc/32/25/15/919322515.db2.gz ABXIJFLRIAQSGG-UHFFFAOYSA-N 1 2 284.791 1.464 20 30 CDEDLO CCNC(=O)CO[C@H]1CCC[N@@H+]([C@H](CC)CC#N)C1 ZINC001255176321 936586645 /nfs/dbraw/zinc/58/66/45/936586645.db2.gz ZVDNDAUJUJRYOY-OLZOCXBDSA-N 1 2 267.373 1.296 20 30 CDEDLO CCNC(=O)CO[C@H]1CCC[N@H+]([C@H](CC)CC#N)C1 ZINC001255176321 936586646 /nfs/dbraw/zinc/58/66/46/936586646.db2.gz ZVDNDAUJUJRYOY-OLZOCXBDSA-N 1 2 267.373 1.296 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H](NC(=O)N2CCCC2)C1 ZINC001255176649 936586943 /nfs/dbraw/zinc/58/69/43/936586943.db2.gz CWFSUSKNFLJSDO-KGLIPLIRSA-N 1 2 278.400 1.948 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@@H](NC(=O)N2CCCC2)C1 ZINC001255176649 936586944 /nfs/dbraw/zinc/58/69/44/936586944.db2.gz CWFSUSKNFLJSDO-KGLIPLIRSA-N 1 2 278.400 1.948 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cn(C)c3ccc(OC)cc23)CC1 ZINC001139148183 936602944 /nfs/dbraw/zinc/60/29/44/936602944.db2.gz XRESPYKSUTZGOT-UHFFFAOYSA-N 1 2 297.402 1.938 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)C2CCC2)C1 ZINC001108018779 919972672 /nfs/dbraw/zinc/97/26/72/919972672.db2.gz SCGGZAZQNHFPAT-XJKSGUPXSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)C2CCC2)C1 ZINC001108018779 919972684 /nfs/dbraw/zinc/97/26/84/919972684.db2.gz SCGGZAZQNHFPAT-XJKSGUPXSA-N 1 2 280.412 1.816 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC(C)C)[C@@H](O)C1 ZINC001099637586 920284315 /nfs/dbraw/zinc/28/43/15/920284315.db2.gz XWDCWMNBKQRIDS-NEPJUHHUSA-N 1 2 274.792 1.336 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC(C)C)[C@@H](O)C1 ZINC001099637586 920284304 /nfs/dbraw/zinc/28/43/04/920284304.db2.gz XWDCWMNBKQRIDS-NEPJUHHUSA-N 1 2 274.792 1.336 20 30 CDEDLO CN(C)C(=O)C1C[NH+](Cc2cc(F)cc(C#N)c2)C1 ZINC001139875456 936655180 /nfs/dbraw/zinc/65/51/80/936655180.db2.gz OUPZAXLRCVYLGE-UHFFFAOYSA-N 1 2 261.300 1.217 20 30 CDEDLO COC[C@H]1Cn2ccnc2C[N@H+](Cc2ccc(C#N)nc2)C1 ZINC001140541362 936722214 /nfs/dbraw/zinc/72/22/14/936722214.db2.gz FWSTZKAZEKGXRO-CQSZACIVSA-N 1 2 297.362 1.428 20 30 CDEDLO COC[C@H]1Cn2ccnc2C[N@@H+](Cc2ccc(C#N)nc2)C1 ZINC001140541362 936722215 /nfs/dbraw/zinc/72/22/15/936722215.db2.gz FWSTZKAZEKGXRO-CQSZACIVSA-N 1 2 297.362 1.428 20 30 CDEDLO CCN(C(=O)c1cccc(C#N)c1F)C1C[NH+](C)C1 ZINC001190545667 922058406 /nfs/dbraw/zinc/05/84/06/922058406.db2.gz VVCQORROEZQLLN-UHFFFAOYSA-N 1 2 261.300 1.473 20 30 CDEDLO C=CC[NH+]1CCN(Cc2cc(F)c(O)c(F)c2)CC1 ZINC001140990248 936787826 /nfs/dbraw/zinc/78/78/26/936787826.db2.gz RTJJWWCQPLKFCH-UHFFFAOYSA-N 1 2 268.307 1.974 20 30 CDEDLO C=CC[NH+]1CCN(Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141027319 936794445 /nfs/dbraw/zinc/79/44/45/936794445.db2.gz VYUQUFUAQGQWAP-UHFFFAOYSA-N 1 2 292.379 1.713 20 30 CDEDLO COc1cc(C#N)ccc1C(=O)NCCOc1cc[nH+]cc1 ZINC001192281121 922989769 /nfs/dbraw/zinc/98/97/69/922989769.db2.gz ODVWFNOJINEKDK-UHFFFAOYSA-N 1 2 297.314 1.771 20 30 CDEDLO C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)Nc1ccc(C#N)cn1 ZINC001099714085 936803121 /nfs/dbraw/zinc/80/31/21/936803121.db2.gz YZGRGWZITBZYKQ-LLVKDONJSA-N 1 2 298.350 1.226 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](CC(=C)Cl)C[C@@H]1O ZINC001099850549 936814673 /nfs/dbraw/zinc/81/46/73/936814673.db2.gz PTVSTHUPVCECNY-OLZOCXBDSA-N 1 2 286.803 1.647 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=C)Cl)C[C@@H]1O ZINC001099850549 936814674 /nfs/dbraw/zinc/81/46/74/936814674.db2.gz PTVSTHUPVCECNY-OLZOCXBDSA-N 1 2 286.803 1.647 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)CC)C1 ZINC001108173786 923594758 /nfs/dbraw/zinc/59/47/58/923594758.db2.gz XYRORZVSLCDNRG-INIZCTEOSA-N 1 2 280.412 1.653 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)CC)C1 ZINC001108173786 923594770 /nfs/dbraw/zinc/59/47/70/923594770.db2.gz XYRORZVSLCDNRG-INIZCTEOSA-N 1 2 280.412 1.653 20 30 CDEDLO C[C@H](CNc1ccc(C#N)cn1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001108185789 923937042 /nfs/dbraw/zinc/93/70/42/923937042.db2.gz FADRGRWRIFHJMH-LLVKDONJSA-N 1 2 298.350 1.226 20 30 CDEDLO C[C@H](CNc1ccc(C#N)cn1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001108185789 923937051 /nfs/dbraw/zinc/93/70/51/923937051.db2.gz FADRGRWRIFHJMH-LLVKDONJSA-N 1 2 298.350 1.226 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)/C=C(/C)C2CC2)[C@@H](O)C1 ZINC001099715850 924581383 /nfs/dbraw/zinc/58/13/83/924581383.db2.gz LQQCOAPDXUGDGA-TUXSLMJFSA-N 1 2 298.814 1.647 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)/C=C(/C)C2CC2)[C@@H](O)C1 ZINC001099715850 924581387 /nfs/dbraw/zinc/58/13/87/924581387.db2.gz LQQCOAPDXUGDGA-TUXSLMJFSA-N 1 2 298.814 1.647 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C(/C)CC)CC1 ZINC001195755103 924702386 /nfs/dbraw/zinc/70/23/86/924702386.db2.gz XXRVDBZJCKYSTH-OWBHPGMISA-N 1 2 293.411 1.179 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C(/C)CC)CC1 ZINC001195755103 924702390 /nfs/dbraw/zinc/70/23/90/924702390.db2.gz XXRVDBZJCKYSTH-OWBHPGMISA-N 1 2 293.411 1.179 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3occc3c2)[C@H](OC)C1 ZINC001081711377 924782396 /nfs/dbraw/zinc/78/23/96/924782396.db2.gz QGCNXGIXROKCLF-GDBMZVCRSA-N 1 2 298.342 1.495 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3occc3c2)[C@H](OC)C1 ZINC001081711377 924782397 /nfs/dbraw/zinc/78/23/97/924782397.db2.gz QGCNXGIXROKCLF-GDBMZVCRSA-N 1 2 298.342 1.495 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2ccc(C)o2)[C@H](OC)C1 ZINC001082212757 924881747 /nfs/dbraw/zinc/88/17/47/924881747.db2.gz DLZQOQYXSFGZHU-UMVBOHGHSA-N 1 2 290.363 1.140 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2ccc(C)o2)[C@H](OC)C1 ZINC001082212757 924881755 /nfs/dbraw/zinc/88/17/55/924881755.db2.gz DLZQOQYXSFGZHU-UMVBOHGHSA-N 1 2 290.363 1.140 20 30 CDEDLO C=CCC1(C(=O)N2CCC[N@@H+]([C@@H](C)C(N)=O)CC2)CCC1 ZINC001197077853 925048573 /nfs/dbraw/zinc/04/85/73/925048573.db2.gz YKWYQUNACZLXNZ-ZDUSSCGKSA-N 1 2 293.411 1.141 20 30 CDEDLO C=CCC1(C(=O)N2CCC[N@H+]([C@@H](C)C(N)=O)CC2)CCC1 ZINC001197077853 925048583 /nfs/dbraw/zinc/04/85/83/925048583.db2.gz YKWYQUNACZLXNZ-ZDUSSCGKSA-N 1 2 293.411 1.141 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(C)c3)[C@H]2C1 ZINC001082987656 925059004 /nfs/dbraw/zinc/05/90/04/925059004.db2.gz NREGJSSVYXJYGR-JKSUJKDBSA-N 1 2 284.359 1.153 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(C)c3)[C@H]2C1 ZINC001082987656 925059013 /nfs/dbraw/zinc/05/90/13/925059013.db2.gz NREGJSSVYXJYGR-JKSUJKDBSA-N 1 2 284.359 1.153 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cncc(OCC)c2)CC1 ZINC001197612825 925173233 /nfs/dbraw/zinc/17/32/33/925173233.db2.gz PDXLUIQMXLXSHO-UHFFFAOYSA-N 1 2 275.352 1.424 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cncn2C(C)C)CC1 ZINC001198110513 925336236 /nfs/dbraw/zinc/33/62/36/925336236.db2.gz QONPIDIAFXFXKV-UHFFFAOYSA-N 1 2 262.357 1.408 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cnc(C)o1 ZINC001231169562 925667026 /nfs/dbraw/zinc/66/70/26/925667026.db2.gz JHIAZFHRARHGRM-CYBMUJFWSA-N 1 2 277.368 1.982 20 30 CDEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cnc(C)o1 ZINC001231169562 925667032 /nfs/dbraw/zinc/66/70/32/925667032.db2.gz JHIAZFHRARHGRM-CYBMUJFWSA-N 1 2 277.368 1.982 20 30 CDEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cccc(F)n2)C1=O ZINC001273300492 925766016 /nfs/dbraw/zinc/76/60/16/925766016.db2.gz UFOAWCFSPBGIJP-INIZCTEOSA-N 1 2 287.338 1.421 20 30 CDEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cccc(F)n2)C1=O ZINC001273300492 925766022 /nfs/dbraw/zinc/76/60/22/925766022.db2.gz UFOAWCFSPBGIJP-INIZCTEOSA-N 1 2 287.338 1.421 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cncc(C)c1 ZINC001085527928 926116124 /nfs/dbraw/zinc/11/61/24/926116124.db2.gz LZZIQTHLPQJXNK-AWEZNQCLSA-N 1 2 257.337 1.170 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cncc(C)c1 ZINC001085527928 926116133 /nfs/dbraw/zinc/11/61/33/926116133.db2.gz LZZIQTHLPQJXNK-AWEZNQCLSA-N 1 2 257.337 1.170 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(C)C)n(C)n1 ZINC001085591846 926190171 /nfs/dbraw/zinc/19/01/71/926190171.db2.gz UYWHCLBVBASDTF-CYBMUJFWSA-N 1 2 288.395 1.323 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(C)C)n(C)n1 ZINC001085591846 926190178 /nfs/dbraw/zinc/19/01/78/926190178.db2.gz UYWHCLBVBASDTF-CYBMUJFWSA-N 1 2 288.395 1.323 20 30 CDEDLO Cc1ccc(S(=O)(=O)NCCn2cc[nH+]c2)cc1C#N ZINC001201289580 926242685 /nfs/dbraw/zinc/24/26/85/926242685.db2.gz GOENDNAOKGTGKU-UHFFFAOYSA-N 1 2 290.348 1.042 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OCC)no1 ZINC001085727283 926330108 /nfs/dbraw/zinc/33/01/08/926330108.db2.gz TXRBLAFIYFLDPP-LLVKDONJSA-N 1 2 279.340 1.406 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(OCC)no1 ZINC001085727283 926330115 /nfs/dbraw/zinc/33/01/15/926330115.db2.gz TXRBLAFIYFLDPP-LLVKDONJSA-N 1 2 279.340 1.406 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(F)c(F)cc1F ZINC001085790923 926401073 /nfs/dbraw/zinc/40/10/73/926401073.db2.gz WDQHEMKYIJDHPF-SNVBAGLBSA-N 1 2 296.292 1.883 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(F)c(F)cc1F ZINC001085790923 926401077 /nfs/dbraw/zinc/40/10/77/926401077.db2.gz WDQHEMKYIJDHPF-SNVBAGLBSA-N 1 2 296.292 1.883 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(CCC)c1 ZINC001085848775 926444978 /nfs/dbraw/zinc/44/49/78/926444978.db2.gz GJNSEMZUSGEPCZ-CQSZACIVSA-N 1 2 274.368 1.073 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(CCC)c1 ZINC001085848775 926444985 /nfs/dbraw/zinc/44/49/85/926444985.db2.gz GJNSEMZUSGEPCZ-CQSZACIVSA-N 1 2 274.368 1.073 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnoc1CC ZINC001085850915 926449924 /nfs/dbraw/zinc/44/99/24/926449924.db2.gz JDMABFZISKHNOQ-LBPRGKRZSA-N 1 2 275.352 1.407 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnoc1CC ZINC001085850915 926449929 /nfs/dbraw/zinc/44/99/29/926449929.db2.gz JDMABFZISKHNOQ-LBPRGKRZSA-N 1 2 275.352 1.407 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnoc1C1CC1 ZINC001085901673 926488727 /nfs/dbraw/zinc/48/87/27/926488727.db2.gz KKBXWNBUJZQATF-GFCCVEGCSA-N 1 2 273.336 1.332 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnoc1C1CC1 ZINC001085901673 926488731 /nfs/dbraw/zinc/48/87/31/926488731.db2.gz KKBXWNBUJZQATF-GFCCVEGCSA-N 1 2 273.336 1.332 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncoc1C(C)C ZINC001085910762 926500354 /nfs/dbraw/zinc/50/03/54/926500354.db2.gz OHMVYLGHLALDPY-ZDUSSCGKSA-N 1 2 289.379 1.968 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ncoc1C(C)C ZINC001085910762 926500364 /nfs/dbraw/zinc/50/03/64/926500364.db2.gz OHMVYLGHLALDPY-ZDUSSCGKSA-N 1 2 289.379 1.968 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C)nc1Cl ZINC001085920249 926504142 /nfs/dbraw/zinc/50/41/42/926504142.db2.gz WYKVHMBMYYIDJD-LLVKDONJSA-N 1 2 294.786 1.243 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C)nc1Cl ZINC001085920249 926504149 /nfs/dbraw/zinc/50/41/49/926504149.db2.gz WYKVHMBMYYIDJD-LLVKDONJSA-N 1 2 294.786 1.243 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ncccc1OC ZINC001085945113 926526825 /nfs/dbraw/zinc/52/68/25/926526825.db2.gz AFYGQFKXGYSBHT-ZDUSSCGKSA-N 1 2 287.363 1.260 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncccc1OC ZINC001085945113 926526831 /nfs/dbraw/zinc/52/68/31/926526831.db2.gz AFYGQFKXGYSBHT-ZDUSSCGKSA-N 1 2 287.363 1.260 20 30 CDEDLO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001110579756 926535515 /nfs/dbraw/zinc/53/55/15/926535515.db2.gz IYXGKEKKIGXXMM-DOLQZWNJSA-N 1 2 280.265 1.794 20 30 CDEDLO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001110579756 926535520 /nfs/dbraw/zinc/53/55/20/926535520.db2.gz IYXGKEKKIGXXMM-DOLQZWNJSA-N 1 2 280.265 1.794 20 30 CDEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](CC(=O)CC)C2 ZINC001273950664 926988439 /nfs/dbraw/zinc/98/84/39/926988439.db2.gz JMQUCTVKPAPYOV-MRXNPFEDSA-N 1 2 294.395 1.093 20 30 CDEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](CC(=O)CC)C2 ZINC001273950664 926988448 /nfs/dbraw/zinc/98/84/48/926988448.db2.gz JMQUCTVKPAPYOV-MRXNPFEDSA-N 1 2 294.395 1.093 20 30 CDEDLO C=C(C)CNc1nc(N2CCCC2)[nH+]c(N2CCCC2)n1 ZINC001155660644 927029537 /nfs/dbraw/zinc/02/95/37/927029537.db2.gz HGVMFWWGEYHXEK-UHFFFAOYSA-N 1 2 288.399 1.482 20 30 CDEDLO C[C@H]1CN(C)C(=O)CN1c1[nH+]ccc2ccc(C#N)cc21 ZINC001156186750 927413478 /nfs/dbraw/zinc/41/34/78/927413478.db2.gz VZORQSPNKSCMCV-NSHDSACASA-N 1 2 280.331 1.773 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCOC(C)C)C1 ZINC001108436303 927655870 /nfs/dbraw/zinc/65/58/70/927655870.db2.gz LRVOGWHERIWSFU-MRXNPFEDSA-N 1 2 298.427 1.585 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCCOC(C)C)C1 ZINC001108436303 927655881 /nfs/dbraw/zinc/65/58/81/927655881.db2.gz LRVOGWHERIWSFU-MRXNPFEDSA-N 1 2 298.427 1.585 20 30 CDEDLO Cc1nc(N2CCC[C@H](NC(=O)C#CC3CC3)CC2)cc[nH+]1 ZINC001111990799 937260663 /nfs/dbraw/zinc/26/06/63/937260663.db2.gz MFRVMZKSOBOSSM-HNNXBMFYSA-N 1 2 298.390 1.674 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)COC)C2 ZINC001109056613 928783344 /nfs/dbraw/zinc/78/33/44/928783344.db2.gz CJXWROJAYPPGRM-RYDUCSDGSA-N 1 2 286.803 1.743 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)COC)C2 ZINC001109056613 928783348 /nfs/dbraw/zinc/78/33/48/928783348.db2.gz CJXWROJAYPPGRM-RYDUCSDGSA-N 1 2 286.803 1.743 20 30 CDEDLO C(=[NH+]N[C@@H]1CCOC1)c1ccc(N2CCCCC2)o1 ZINC000788439120 929519657 /nfs/dbraw/zinc/51/96/57/929519657.db2.gz ITEYZLRMIYPWFC-GFCCVEGCSA-N 1 2 263.341 1.982 20 30 CDEDLO C=CCNC(=O)Nc1sc2c(c1C(N)=O)CC[N@@H+](C)C2 ZINC001202558682 930287859 /nfs/dbraw/zinc/28/78/59/930287859.db2.gz HWXJDPZPHBYJIL-UHFFFAOYSA-N 1 2 294.380 1.142 20 30 CDEDLO C=CCNC(=O)Nc1sc2c(c1C(N)=O)CC[N@H+](C)C2 ZINC001202558682 930287868 /nfs/dbraw/zinc/28/78/68/930287868.db2.gz HWXJDPZPHBYJIL-UHFFFAOYSA-N 1 2 294.380 1.142 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)CCC[C@@H]1C ZINC000884143990 930459486 /nfs/dbraw/zinc/45/94/86/930459486.db2.gz XQIGFTUNCUVYTN-AVGNSLFASA-N 1 2 282.384 1.470 20 30 CDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2COCCOC ZINC001273989358 930473649 /nfs/dbraw/zinc/47/36/49/930473649.db2.gz BZVUWJSGUOKOKO-HNNXBMFYSA-N 1 2 282.384 1.250 20 30 CDEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2COCCOC ZINC001273989358 930473653 /nfs/dbraw/zinc/47/36/53/930473653.db2.gz BZVUWJSGUOKOKO-HNNXBMFYSA-N 1 2 282.384 1.250 20 30 CDEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1nonc1C)CC2 ZINC001273990813 930486667 /nfs/dbraw/zinc/48/66/67/930486667.db2.gz SOISTKWESSWXST-LBPRGKRZSA-N 1 2 290.367 1.282 20 30 CDEDLO CC[C@@H](C)N1C(=O)COCC12C[NH+](CCCC#N)C2 ZINC001274039179 931139316 /nfs/dbraw/zinc/13/93/16/931139316.db2.gz SWKZUXPBSXPYJD-GFCCVEGCSA-N 1 2 265.357 1.002 20 30 CDEDLO C#CCO[C@H](C)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000823087799 931252522 /nfs/dbraw/zinc/25/25/22/931252522.db2.gz FTXMWJUTANGKDX-OLZOCXBDSA-N 1 2 261.325 1.085 20 30 CDEDLO Cn1nc(Br)cc1C[NH2+]CC(C)(C)C#N ZINC000380074219 931466340 /nfs/dbraw/zinc/46/63/40/931466340.db2.gz MDQSDBSIDXMAMN-UHFFFAOYSA-N 1 2 271.162 1.822 20 30 CDEDLO C=CCN1CC[C@]2(CCN(c3cccc[nH+]3)C2)C1=O ZINC001274740587 931564461 /nfs/dbraw/zinc/56/44/61/931564461.db2.gz XYJJKUUOUHCUGP-OAHLLOKOSA-N 1 2 257.337 1.696 20 30 CDEDLO Cc1[nH]c(CNC(=O)CNc2ccc(C#N)cn2)[nH+]c1C ZINC001412634479 932580415 /nfs/dbraw/zinc/58/04/15/932580415.db2.gz ADAYSGDZOVAOKI-UHFFFAOYSA-N 1 2 284.323 1.022 20 30 CDEDLO Cc1nc(NC[C@H]2C[N@H+](C)CCO2)c(C#N)c(C)c1Cl ZINC001155195012 937647723 /nfs/dbraw/zinc/64/77/23/937647723.db2.gz YDJFXLYDGVQQES-NSHDSACASA-N 1 2 294.786 1.966 20 30 CDEDLO Cc1nc(NC[C@H]2C[N@@H+](C)CCO2)c(C#N)c(C)c1Cl ZINC001155195012 937647725 /nfs/dbraw/zinc/64/77/25/937647725.db2.gz YDJFXLYDGVQQES-NSHDSACASA-N 1 2 294.786 1.966 20 30 CDEDLO C=CC[C@H]1NC(=O)N(CCCCn2cc[nH+]c2)C1=O ZINC001119626984 937740884 /nfs/dbraw/zinc/74/08/84/937740884.db2.gz INQVJOMIGGMXIS-LLVKDONJSA-N 1 2 262.313 1.160 20 30 CDEDLO N#Cc1cccnc1NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001412883698 935075043 /nfs/dbraw/zinc/07/50/43/935075043.db2.gz VQJYGXLATVDOLR-CYBMUJFWSA-N 1 2 286.335 1.145 20 30 CDEDLO N#Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](C3COC3)C2)c1 ZINC001202789936 935661299 /nfs/dbraw/zinc/66/12/99/935661299.db2.gz HRMLDFKTIDIHCQ-ZDUSSCGKSA-N 1 2 286.335 1.153 20 30 CDEDLO N#Cc1cccc(NC(=O)N[C@H]2CC[N@H+](C3COC3)C2)c1 ZINC001202789936 935661303 /nfs/dbraw/zinc/66/13/03/935661303.db2.gz HRMLDFKTIDIHCQ-ZDUSSCGKSA-N 1 2 286.335 1.153 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)nn1CC ZINC001038738870 935754958 /nfs/dbraw/zinc/75/49/58/935754958.db2.gz CIDJGZSIZNAIOY-CYBMUJFWSA-N 1 2 274.368 1.039 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)nn1CC ZINC001038738870 935754960 /nfs/dbraw/zinc/75/49/60/935754960.db2.gz CIDJGZSIZNAIOY-CYBMUJFWSA-N 1 2 274.368 1.039 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)[nH]nc1C(C)C ZINC001038902213 935761980 /nfs/dbraw/zinc/76/19/80/935761980.db2.gz DHTQAPHUHQBTOU-GFCCVEGCSA-N 1 2 274.368 1.279 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)[nH]nc1C(C)C ZINC001038902213 935761982 /nfs/dbraw/zinc/76/19/82/935761982.db2.gz DHTQAPHUHQBTOU-GFCCVEGCSA-N 1 2 274.368 1.279 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccon1)C2 ZINC001096895665 936233137 /nfs/dbraw/zinc/23/31/37/936233137.db2.gz WVPBLEJKOSVNDH-UPJWGTAASA-N 1 2 295.770 1.691 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccon1)C2 ZINC001096895665 936233138 /nfs/dbraw/zinc/23/31/38/936233138.db2.gz WVPBLEJKOSVNDH-UPJWGTAASA-N 1 2 295.770 1.691 20 30 CDEDLO N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCF)c[nH]1 ZINC001096984217 936247936 /nfs/dbraw/zinc/24/79/36/936247936.db2.gz WYODWLMOYPHJFJ-UPJWGTAASA-N 1 2 276.315 1.191 20 30 CDEDLO N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCF)c[nH]1 ZINC001096984217 936247940 /nfs/dbraw/zinc/24/79/40/936247940.db2.gz WYODWLMOYPHJFJ-UPJWGTAASA-N 1 2 276.315 1.191 20 30 CDEDLO Cc1nc(N[C@H]2C[C@H](NC(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001097003347 936260089 /nfs/dbraw/zinc/26/00/89/936260089.db2.gz WMKUCLFPXWVRNR-FBIMIBRVSA-N 1 2 259.313 1.004 20 30 CDEDLO Cc1nc(N2CCC[C@@H](CNC(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001097298599 936289833 /nfs/dbraw/zinc/28/98/33/936289833.db2.gz QZKMZJOYPPAYMB-YPMHNXCESA-N 1 2 287.367 1.277 20 30 CDEDLO Cn1c[nH+]cc1CCOC(=O)c1csc(C#N)c1 ZINC001122650978 937948519 /nfs/dbraw/zinc/94/85/19/937948519.db2.gz WKUPDEKRBSURFO-UHFFFAOYSA-N 1 2 261.306 1.753 20 30 CDEDLO C[C@H]1CN(C)C(=O)CN1c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001156190765 938332323 /nfs/dbraw/zinc/33/23/23/938332323.db2.gz QXKRVIQMHKKZRR-VIFPVBQESA-N 1 2 269.308 1.101 20 30 CDEDLO N#CCc1cc[nH+]c(NCCCc2c[nH][nH]c2=O)c1 ZINC001156278181 938345803 /nfs/dbraw/zinc/34/58/03/938345803.db2.gz GLYLFOHUTZGCOQ-NSHDSACASA-N 1 2 257.297 1.072 20 30 CDEDLO Cc1cc2ccccc2c(N2CC[NH2+]C[C@@H]2C#N)n1 ZINC001156327596 938352428 /nfs/dbraw/zinc/35/24/28/938352428.db2.gz HEVOIPMSCZTOPX-ZDUSSCGKSA-N 1 2 252.321 1.845 20 30 CDEDLO Cc1cc2ncnc(N3CC[NH2+]C[C@@H]3C#N)c2cc1C ZINC001156332708 938352850 /nfs/dbraw/zinc/35/28/50/938352850.db2.gz MUACXPCLZGCXRX-LBPRGKRZSA-N 1 2 267.336 1.548 20 30 CDEDLO COc1cc(C[N@@H+]2CCN(C(C)=O)[C@@H](C)C2)ccc1C#N ZINC001238413033 945172843 /nfs/dbraw/zinc/17/28/43/945172843.db2.gz LNZWDIPRQNHWHI-LBPRGKRZSA-N 1 2 287.363 1.619 20 30 CDEDLO COc1cc(C[N@H+]2CCN(C(C)=O)[C@@H](C)C2)ccc1C#N ZINC001238413033 945172846 /nfs/dbraw/zinc/17/28/46/945172846.db2.gz LNZWDIPRQNHWHI-LBPRGKRZSA-N 1 2 287.363 1.619 20 30 CDEDLO COC(=O)C1(C#N)CCN(c2[nH+]cc(C)cc2OC)CC1 ZINC001158689610 938650865 /nfs/dbraw/zinc/65/08/65/938650865.db2.gz GGEOHHRPDJLNPD-UHFFFAOYSA-N 1 2 289.335 1.682 20 30 CDEDLO C#Cc1cccc(CNC(=O)CCn2cc[nH+]c2)c1 ZINC001161803623 938933753 /nfs/dbraw/zinc/93/37/53/938933753.db2.gz MIVRMJFGRUMIHG-UHFFFAOYSA-N 1 2 253.305 1.571 20 30 CDEDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1ncc(C#N)cc1F ZINC001162854570 939154701 /nfs/dbraw/zinc/15/47/01/939154701.db2.gz QPJIHVFLYFCPGO-JTQLQIEISA-N 1 2 280.303 1.173 20 30 CDEDLO CSc1nc2c(c(N3CC[NH2+]C[C@H]3C#N)n1)CCCC2 ZINC001164641262 939501440 /nfs/dbraw/zinc/50/14/40/939501440.db2.gz JHQMIRDNIVBHST-SNVBAGLBSA-N 1 2 289.408 1.379 20 30 CDEDLO CNc1ccc(Nc2c(C#N)cnn2-c2ncccn2)c[nH+]1 ZINC001203449180 939687441 /nfs/dbraw/zinc/68/74/41/939687441.db2.gz BSMQIQXWYQZDPJ-UHFFFAOYSA-N 1 2 292.306 1.714 20 30 CDEDLO N#Cc1cccc(C[NH+]2CC(N3CCOCC3)C2)c1 ZINC001203760174 939703142 /nfs/dbraw/zinc/70/31/42/939703142.db2.gz DOWDNYYJTYUGEX-UHFFFAOYSA-N 1 2 257.337 1.075 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)n(C)n1 ZINC001205928657 939957664 /nfs/dbraw/zinc/95/76/64/939957664.db2.gz ZCQWHYQUOSOELZ-UHFFFAOYSA-N 1 2 295.390 1.922 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)on2)C[C@H]1C ZINC001206490574 940049064 /nfs/dbraw/zinc/04/90/64/940049064.db2.gz QOSCAVQUOXFUFI-BXUZGUMPSA-N 1 2 277.368 1.886 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)on2)C[C@H]1C ZINC001206490574 940049069 /nfs/dbraw/zinc/04/90/69/940049069.db2.gz QOSCAVQUOXFUFI-BXUZGUMPSA-N 1 2 277.368 1.886 20 30 CDEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)o2)C[C@H]1C ZINC001206607430 940071021 /nfs/dbraw/zinc/07/10/21/940071021.db2.gz RAFQAIULILUZLR-DGCLKSJQSA-N 1 2 293.367 1.122 20 30 CDEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2ncc(C)o2)C[C@H]1C ZINC001206607430 940071024 /nfs/dbraw/zinc/07/10/24/940071024.db2.gz RAFQAIULILUZLR-DGCLKSJQSA-N 1 2 293.367 1.122 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ncccn2)C[C@H]1C ZINC001207189974 940165492 /nfs/dbraw/zinc/16/54/92/940165492.db2.gz BITFSYDWIPRPEH-ZIAGYGMSSA-N 1 2 288.395 1.769 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2ncccn2)C[C@H]1C ZINC001207189974 940165494 /nfs/dbraw/zinc/16/54/94/940165494.db2.gz BITFSYDWIPRPEH-ZIAGYGMSSA-N 1 2 288.395 1.769 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1-c1ccc(C)cc1C#N ZINC001210565374 940698288 /nfs/dbraw/zinc/69/82/88/940698288.db2.gz KPRZOCSKAANTGI-UHFFFAOYSA-N 1 2 270.292 1.811 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1OC ZINC001213273478 940766045 /nfs/dbraw/zinc/76/60/45/940766045.db2.gz QIQATEOHSVWPAR-UXFRKABBSA-N 1 2 286.803 1.767 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1OC ZINC001213273478 940766046 /nfs/dbraw/zinc/76/60/46/940766046.db2.gz QIQATEOHSVWPAR-UXFRKABBSA-N 1 2 286.803 1.767 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001213322638 940769684 /nfs/dbraw/zinc/76/96/84/940769684.db2.gz MKCQDGVSTYIETD-YNEHKIRRSA-N 1 2 272.364 1.374 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001213322638 940769687 /nfs/dbraw/zinc/76/96/87/940769687.db2.gz MKCQDGVSTYIETD-YNEHKIRRSA-N 1 2 272.364 1.374 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc([N+](=O)[O-])ccc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226271200 941979350 /nfs/dbraw/zinc/97/93/50/941979350.db2.gz YOKLTLMGBZIKKC-LSVRBPJHSA-N 1 2 294.282 1.725 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc([N+](=O)[O-])ccc3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226271200 941979351 /nfs/dbraw/zinc/97/93/51/941979351.db2.gz YOKLTLMGBZIKKC-LSVRBPJHSA-N 1 2 294.282 1.725 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncnc4sccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227216019 942151594 /nfs/dbraw/zinc/15/15/94/942151594.db2.gz NRSPKPZFZWECFZ-ZQLNZSQWSA-N 1 2 289.360 1.683 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncnc4sccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227216019 942151597 /nfs/dbraw/zinc/15/15/97/942151597.db2.gz NRSPKPZFZWECFZ-ZQLNZSQWSA-N 1 2 289.360 1.683 20 30 CDEDLO Cc1cnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC001227237213 942155313 /nfs/dbraw/zinc/15/53/13/942155313.db2.gz SNSXEIMRXSKUQJ-NJFCNUMCSA-N 1 2 291.307 1.289 20 30 CDEDLO Cc1cnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001227237213 942155316 /nfs/dbraw/zinc/15/53/16/942155316.db2.gz SNSXEIMRXSKUQJ-NJFCNUMCSA-N 1 2 291.307 1.289 20 30 CDEDLO Cc1conc1C[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001227298964 942165205 /nfs/dbraw/zinc/16/52/05/942165205.db2.gz GTRZHIRWLXRDED-UHFFFAOYSA-N 1 2 287.363 1.477 20 30 CDEDLO C=C[C@H](Oc1cc2c(cc1OC)CC[NH+]=C2)C(=O)OC ZINC001228086839 942266774 /nfs/dbraw/zinc/26/67/74/942266774.db2.gz BWXFYSFRJLGJOL-LBPRGKRZSA-N 1 2 275.304 1.777 20 30 CDEDLO C=CCC(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](CC)C(N)=O ZINC001316602136 942424502 /nfs/dbraw/zinc/42/45/02/942424502.db2.gz KSURIZVGPDGFPL-OLZOCXBDSA-N 1 2 295.427 1.385 20 30 CDEDLO C=CCC(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](CC)C(N)=O ZINC001316602136 942424505 /nfs/dbraw/zinc/42/45/05/942424505.db2.gz KSURIZVGPDGFPL-OLZOCXBDSA-N 1 2 295.427 1.385 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2ccc(C3(C#N)CC3)cc2)C1 ZINC001229944989 942557037 /nfs/dbraw/zinc/55/70/37/942557037.db2.gz RTESCQBOKSAZMN-OAHLLOKOSA-N 1 2 272.348 1.951 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2ccc(C3(C#N)CC3)cc2)C1 ZINC001229944989 942557039 /nfs/dbraw/zinc/55/70/39/942557039.db2.gz RTESCQBOKSAZMN-OAHLLOKOSA-N 1 2 272.348 1.951 20 30 CDEDLO COCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N ZINC001230537249 942632875 /nfs/dbraw/zinc/63/28/75/942632875.db2.gz BEHDAGUSOCUXQB-HNNXBMFYSA-N 1 2 287.363 1.237 20 30 CDEDLO COCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccc1C#N ZINC001230537249 942632877 /nfs/dbraw/zinc/63/28/77/942632877.db2.gz BEHDAGUSOCUXQB-HNNXBMFYSA-N 1 2 287.363 1.237 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CN(C)C(=O)CCC)C1=O ZINC001230618519 942657958 /nfs/dbraw/zinc/65/79/58/942657958.db2.gz FGHYZFPXJCRFLJ-UONOGXRCSA-N 1 2 293.411 1.106 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CN(C)C(=O)CCC)C1=O ZINC001230618519 942657960 /nfs/dbraw/zinc/65/79/60/942657960.db2.gz FGHYZFPXJCRFLJ-UONOGXRCSA-N 1 2 293.411 1.106 20 30 CDEDLO COc1c(F)cccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001230833028 942709130 /nfs/dbraw/zinc/70/91/30/942709130.db2.gz PFKNNEWBEBRFKO-DSRGUXITSA-N 1 2 279.311 1.826 20 30 CDEDLO COc1c(F)cccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001230833028 942709135 /nfs/dbraw/zinc/70/91/35/942709135.db2.gz PFKNNEWBEBRFKO-DSRGUXITSA-N 1 2 279.311 1.826 20 30 CDEDLO C=CC[NH+]1CCN(Cc2cc(OC)c(O)cc2O)CC1 ZINC001231634746 942949093 /nfs/dbraw/zinc/94/90/93/942949093.db2.gz ALWGDGWIZOIYHK-UHFFFAOYSA-N 1 2 278.352 1.410 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3ccc(Cl)c(C#N)c3)C[C@@H]21 ZINC001277630243 943171336 /nfs/dbraw/zinc/17/13/36/943171336.db2.gz GFBDASWOLHNDHA-GJZGRUSLSA-N 1 2 291.782 1.726 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(Cc3ccc(Cl)c(C#N)c3)C[C@@H]21 ZINC001277630243 943171340 /nfs/dbraw/zinc/17/13/40/943171340.db2.gz GFBDASWOLHNDHA-GJZGRUSLSA-N 1 2 291.782 1.726 20 30 CDEDLO CN1CCO[C@H]2C[N@H+](Cc3ccc(Cl)c(C#N)c3)C[C@@H]21 ZINC001277630243 943171343 /nfs/dbraw/zinc/17/13/43/943171343.db2.gz GFBDASWOLHNDHA-GJZGRUSLSA-N 1 2 291.782 1.726 20 30 CDEDLO CN1CCO[C@H]2C[N@@H+](Cc3ccc(Cl)c(C#N)c3)C[C@@H]21 ZINC001277630243 943171348 /nfs/dbraw/zinc/17/13/48/943171348.db2.gz GFBDASWOLHNDHA-GJZGRUSLSA-N 1 2 291.782 1.726 20 30 CDEDLO CCOc1ncc(C[NH+]2CCN(CCC#N)CC2)cc1C ZINC001232306244 943211575 /nfs/dbraw/zinc/21/15/75/943211575.db2.gz SLISRZCHSMDXEJ-UHFFFAOYSA-N 1 2 288.395 1.820 20 30 CDEDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccn2)C1 ZINC001232482179 943295243 /nfs/dbraw/zinc/29/52/43/943295243.db2.gz RWBPFGYOLLPIPH-CYBMUJFWSA-N 1 2 272.352 1.444 20 30 CDEDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001232482179 943295249 /nfs/dbraw/zinc/29/52/49/943295249.db2.gz RWBPFGYOLLPIPH-CYBMUJFWSA-N 1 2 272.352 1.444 20 30 CDEDLO CN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3O)CC[C@@H]21 ZINC001232681583 943361707 /nfs/dbraw/zinc/36/17/07/943361707.db2.gz RPZKOUAPLPRVGC-ZFWWWQNUSA-N 1 2 299.374 1.707 20 30 CDEDLO CN1C(=O)CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3O)CC[C@@H]21 ZINC001232681583 943361714 /nfs/dbraw/zinc/36/17/14/943361714.db2.gz RPZKOUAPLPRVGC-ZFWWWQNUSA-N 1 2 299.374 1.707 20 30 CDEDLO CCN1C[C@@H](C)[N@H+](Cc2ccc(C#N)cc2C)CC1=O ZINC001233083659 943488870 /nfs/dbraw/zinc/48/88/70/943488870.db2.gz VAXWWUKTBUKBTH-CYBMUJFWSA-N 1 2 271.364 1.919 20 30 CDEDLO CCN1C[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2C)CC1=O ZINC001233083659 943488874 /nfs/dbraw/zinc/48/88/74/943488874.db2.gz VAXWWUKTBUKBTH-CYBMUJFWSA-N 1 2 271.364 1.919 20 30 CDEDLO C=CCN(C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C)C(C)C ZINC001263778256 943971947 /nfs/dbraw/zinc/97/19/47/943971947.db2.gz HPXVZVULWLAMLK-ZIAGYGMSSA-N 1 2 282.432 1.227 20 30 CDEDLO C=CCN(C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C)C(C)C ZINC001263778256 943971950 /nfs/dbraw/zinc/97/19/50/943971950.db2.gz HPXVZVULWLAMLK-ZIAGYGMSSA-N 1 2 282.432 1.227 20 30 CDEDLO COC1(CC(=O)N2C[C@@H]3CC[N@H+](CCC#N)[C@@H]3C2)CCC1 ZINC001277936234 944113452 /nfs/dbraw/zinc/11/34/52/944113452.db2.gz BYXAVCBLSSVAOE-UONOGXRCSA-N 1 2 291.395 1.392 20 30 CDEDLO COC1(CC(=O)N2C[C@@H]3CC[N@@H+](CCC#N)[C@@H]3C2)CCC1 ZINC001277936234 944113454 /nfs/dbraw/zinc/11/34/54/944113454.db2.gz BYXAVCBLSSVAOE-UONOGXRCSA-N 1 2 291.395 1.392 20 30 CDEDLO CN(C)C(=O)N1CC[NH+](Cc2ccccc2CC#N)CC1 ZINC001235511293 944182226 /nfs/dbraw/zinc/18/22/26/944182226.db2.gz GRXYAQBJFZXCHU-UHFFFAOYSA-N 1 2 286.379 1.552 20 30 CDEDLO N#C[C@H]1CC[N@H+](Cc2cccc(-n3cncn3)c2)C1 ZINC001236885278 944602597 /nfs/dbraw/zinc/60/25/97/944602597.db2.gz VAUGXGQAFQHDSN-CYBMUJFWSA-N 1 2 253.309 1.613 20 30 CDEDLO N#C[C@H]1CC[N@@H+](Cc2cccc(-n3cncn3)c2)C1 ZINC001236885278 944602605 /nfs/dbraw/zinc/60/26/05/944602605.db2.gz VAUGXGQAFQHDSN-CYBMUJFWSA-N 1 2 253.309 1.613 20 30 CDEDLO N#Cc1ccc(O)c(NS(=O)(=O)CC2CC[NH2+]CC2)c1 ZINC001237670157 944918473 /nfs/dbraw/zinc/91/84/73/944918473.db2.gz FJHPBAUPIYXTQH-UHFFFAOYSA-N 1 2 295.364 1.005 20 30 CDEDLO C=CCC[C@H](C)[N@H+]1C[C@](O)(C(F)(F)F)C[C@@H]1C(=O)OC ZINC001258725323 945392127 /nfs/dbraw/zinc/39/21/27/945392127.db2.gz KCZGSTGRULYHNQ-UMNHJUIQSA-N 1 2 295.301 1.882 20 30 CDEDLO C=CCC[C@H](C)[N@@H+]1C[C@](O)(C(F)(F)F)C[C@@H]1C(=O)OC ZINC001258725323 945392134 /nfs/dbraw/zinc/39/21/34/945392134.db2.gz KCZGSTGRULYHNQ-UMNHJUIQSA-N 1 2 295.301 1.882 20 30 CDEDLO CONC(=O)C1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC001262021111 946382201 /nfs/dbraw/zinc/38/22/01/946382201.db2.gz WLXZIEDSLAVNHX-UHFFFAOYSA-N 1 2 291.326 1.587 20 30 CDEDLO N#Cc1nccnc1-c1ccccc1C[NH+]1CCOCC1 ZINC001241980415 946544692 /nfs/dbraw/zinc/54/46/92/946544692.db2.gz OTYBOEJCHUDOHD-UHFFFAOYSA-N 1 2 280.331 1.847 20 30 CDEDLO CC[C@H](CC#N)N1CC([NH+]2CCN(c3ccccn3)CC2)C1 ZINC001255176076 947766330 /nfs/dbraw/zinc/76/63/30/947766330.db2.gz WJQSNFMXUHVXLA-OAHLLOKOSA-N 1 2 299.422 1.580 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@@H](NC(=O)c2ccncc2)C1 ZINC001255176416 947766688 /nfs/dbraw/zinc/76/66/88/947766688.db2.gz BDAOARBQGQIMOM-HUUCEWRRSA-N 1 2 286.379 1.968 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CCC[C@@H](NC(=O)c2ccncc2)C1 ZINC001255176416 947766694 /nfs/dbraw/zinc/76/66/94/947766694.db2.gz BDAOARBQGQIMOM-HUUCEWRRSA-N 1 2 286.379 1.968 20 30 CDEDLO CCCCCCCC[C@@H](O)CN1CC[NH2+]C[C@H]1C#N ZINC001246035321 947914075 /nfs/dbraw/zinc/91/40/75/947914075.db2.gz OZYHUZULNYZWQY-HUUCEWRRSA-N 1 2 267.417 1.895 20 30 CDEDLO CCOC(=O)[C@H](CS)[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC001257073655 948518634 /nfs/dbraw/zinc/51/86/34/948518634.db2.gz RAYGOJLMIVLVRV-KKZNHRDASA-N 1 2 261.387 1.394 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2cnnn2CC)C1 ZINC001479954419 971506429 /nfs/dbraw/zinc/50/64/29/971506429.db2.gz IIJHMTNNRWNVGS-CYBMUJFWSA-N 1 2 291.399 1.345 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](Cc2cnnn2CC)C1 ZINC001479954419 971506432 /nfs/dbraw/zinc/50/64/32/971506432.db2.gz IIJHMTNNRWNVGS-CYBMUJFWSA-N 1 2 291.399 1.345 20 30 CDEDLO COC[C@@H]([NH3+])c1nc(-c2cc(C#N)ccc2F)no1 ZINC001248184819 948963261 /nfs/dbraw/zinc/96/32/61/948963261.db2.gz SYDNJABQAOHNFV-SNVBAGLBSA-N 1 2 262.244 1.394 20 30 CDEDLO CCc1cc(C#N)ccc1C[NH+]1CC(NC(C)=O)C1 ZINC001248751701 949120600 /nfs/dbraw/zinc/12/06/00/949120600.db2.gz GZFNWUORAJUCNT-UHFFFAOYSA-N 1 2 257.337 1.441 20 30 CDEDLO C#CCOC[C@@H](O)CNc1cc[nH+]c(OCCCC)c1 ZINC001251826810 950852393 /nfs/dbraw/zinc/85/23/93/950852393.db2.gz UPOHMNUOASFSQL-AWEZNQCLSA-N 1 2 278.352 1.683 20 30 CDEDLO C#CCOC[C@@H](O)C[N@H+](Cc1cnc[nH]1)Cc1ccccc1 ZINC001251854555 950877440 /nfs/dbraw/zinc/87/74/40/950877440.db2.gz GQKYCLCNNSZBAC-KRWDZBQOSA-N 1 2 299.374 1.423 20 30 CDEDLO C#CCOC[C@@H](O)C[N@@H+](Cc1cnc[nH]1)Cc1ccccc1 ZINC001251854555 950877459 /nfs/dbraw/zinc/87/74/59/950877459.db2.gz GQKYCLCNNSZBAC-KRWDZBQOSA-N 1 2 299.374 1.423 20 30 CDEDLO C#CCOC[C@@H](O)C[N@H+](Cc1c[nH]cn1)Cc1ccccc1 ZINC001251854555 950877475 /nfs/dbraw/zinc/87/74/75/950877475.db2.gz GQKYCLCNNSZBAC-KRWDZBQOSA-N 1 2 299.374 1.423 20 30 CDEDLO C#CCOC[C@@H](O)C[N@@H+](Cc1c[nH]cn1)Cc1ccccc1 ZINC001251854555 950877491 /nfs/dbraw/zinc/87/74/91/950877491.db2.gz GQKYCLCNNSZBAC-KRWDZBQOSA-N 1 2 299.374 1.423 20 30 CDEDLO C=CCOC[C@H](O)C[N@@H+]1CCC(F)(F)[C@H](F)C1 ZINC001252460028 951304555 /nfs/dbraw/zinc/30/45/55/951304555.db2.gz ACEDYPGVWNUJRK-NXEZZACHSA-N 1 2 253.264 1.229 20 30 CDEDLO C=CCOC[C@H](O)C[N@H+]1CCC(F)(F)[C@H](F)C1 ZINC001252460028 951304568 /nfs/dbraw/zinc/30/45/68/951304568.db2.gz ACEDYPGVWNUJRK-NXEZZACHSA-N 1 2 253.264 1.229 20 30 CDEDLO C=CCOC[C@H](O)CNc1ccc(Cn2cc[nH+]c2)cc1 ZINC001252477646 951336895 /nfs/dbraw/zinc/33/68/95/951336895.db2.gz ZMHDUKLLXRHEKD-MRXNPFEDSA-N 1 2 287.363 1.907 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+](C)CC(=O)OCc1ccccc1 ZINC001252603677 951499550 /nfs/dbraw/zinc/49/95/50/951499550.db2.gz DQLZZCFKAVQPDP-HNNXBMFYSA-N 1 2 277.364 1.989 20 30 CDEDLO C=CCC[C@H](O)C[N@H+](C)CC(=O)OCc1ccccc1 ZINC001252603677 951499557 /nfs/dbraw/zinc/49/95/57/951499557.db2.gz DQLZZCFKAVQPDP-HNNXBMFYSA-N 1 2 277.364 1.989 20 30 CDEDLO C=C[C@H](O)CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC001253571208 951957957 /nfs/dbraw/zinc/95/79/57/951957957.db2.gz BSRBDQUUMPOMRI-LBPRGKRZSA-N 1 2 281.319 1.774 20 30 CDEDLO C=CC[C@H](CC)NC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001325846226 954102665 /nfs/dbraw/zinc/10/26/65/954102665.db2.gz CWPHIOLEQMXPLB-AWEZNQCLSA-N 1 2 289.379 1.786 20 30 CDEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc(C#N)ccn1)C[C@@H](C)O2 ZINC001363233989 972006313 /nfs/dbraw/zinc/00/63/13/972006313.db2.gz MSHFDAPWVJKIQG-DVOMOZLQSA-N 1 2 287.363 1.722 20 30 CDEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc(C#N)ccn1)C[C@@H](C)O2 ZINC001363233989 972006310 /nfs/dbraw/zinc/00/63/10/972006310.db2.gz MSHFDAPWVJKIQG-DVOMOZLQSA-N 1 2 287.363 1.722 20 30 CDEDLO COCC[N@@H+](CCC#N)CCCC(=O)OC(C)(C)C ZINC001364326470 954465330 /nfs/dbraw/zinc/46/53/30/954465330.db2.gz AWAONFKYIIAMSX-UHFFFAOYSA-N 1 2 270.373 1.970 20 30 CDEDLO COCC[N@H+](CCC#N)CCCC(=O)OC(C)(C)C ZINC001364326470 954465333 /nfs/dbraw/zinc/46/53/33/954465333.db2.gz AWAONFKYIIAMSX-UHFFFAOYSA-N 1 2 270.373 1.970 20 30 CDEDLO C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc(C#N)c2)CC[S@@]1=O ZINC001364391892 954546297 /nfs/dbraw/zinc/54/62/97/954546297.db2.gz XLEFSYGSUKUHSH-URFZZILJSA-N 1 2 292.404 1.435 20 30 CDEDLO C[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)CC[S@@]1=O ZINC001364391892 954546308 /nfs/dbraw/zinc/54/63/08/954546308.db2.gz XLEFSYGSUKUHSH-URFZZILJSA-N 1 2 292.404 1.435 20 30 CDEDLO C[C@@H]1C[C@@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)c2nccn21 ZINC001327121033 954719082 /nfs/dbraw/zinc/71/90/82/954719082.db2.gz NHOMWECSUPXOBK-ZWNOBZJWSA-N 1 2 293.334 1.593 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2O)C1 ZINC001303556340 956097270 /nfs/dbraw/zinc/09/72/70/956097270.db2.gz DOKBRULYUWLMKY-GFCCVEGCSA-N 1 2 292.766 1.873 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2O)C1 ZINC001303556340 956097281 /nfs/dbraw/zinc/09/72/81/956097281.db2.gz DOKBRULYUWLMKY-GFCCVEGCSA-N 1 2 292.766 1.873 20 30 CDEDLO Cc1cc(C[NH+]2CCN(C(=O)[C@@H](C)C#N)CC2)cs1 ZINC001365687459 956293022 /nfs/dbraw/zinc/29/30/22/956293022.db2.gz KITSADIAKQQYHR-NSHDSACASA-N 1 2 277.393 1.860 20 30 CDEDLO C=CCCCCCCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001309481690 956640408 /nfs/dbraw/zinc/64/04/08/956640408.db2.gz RXTLNEJVAFZGIE-UHFFFAOYSA-N 1 2 289.445 1.205 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C(C)(C)COC ZINC001366622594 957050356 /nfs/dbraw/zinc/05/03/56/957050356.db2.gz YIGYHYDISSUJFE-UHFFFAOYSA-N 1 2 276.808 1.850 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C(C)(C)COC ZINC001366622594 957050370 /nfs/dbraw/zinc/05/03/70/957050370.db2.gz YIGYHYDISSUJFE-UHFFFAOYSA-N 1 2 276.808 1.850 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)COc1cccnc1 ZINC001366633178 957066251 /nfs/dbraw/zinc/06/62/51/957066251.db2.gz JJCWASVRUVMEOE-UHFFFAOYSA-N 1 2 297.786 1.651 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)COc1cccnc1 ZINC001366633178 957066265 /nfs/dbraw/zinc/06/62/65/957066265.db2.gz JJCWASVRUVMEOE-UHFFFAOYSA-N 1 2 297.786 1.651 20 30 CDEDLO C#CCN(C)c1nnnn1CCCc1cccc(C)[nH+]1 ZINC001334101746 958835214 /nfs/dbraw/zinc/83/52/14/958835214.db2.gz IZQMFAHNNXYFHM-UHFFFAOYSA-N 1 2 270.340 1.079 20 30 CDEDLO N#CC1(C(=O)OCc2cc[nH+]c(N)c2)CCOCC1 ZINC001321912119 960014969 /nfs/dbraw/zinc/01/49/69/960014969.db2.gz TXKSCIMVFZZOFX-UHFFFAOYSA-N 1 2 261.281 1.027 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H](C)n1cncn1)C1CC1 ZINC001418759875 960987519 /nfs/dbraw/zinc/98/75/19/960987519.db2.gz WVXKCOIACXZWAG-NSHDSACASA-N 1 2 297.790 1.172 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H](C)n1cncn1)C1CC1 ZINC001418759875 960987535 /nfs/dbraw/zinc/98/75/35/960987535.db2.gz WVXKCOIACXZWAG-NSHDSACASA-N 1 2 297.790 1.172 20 30 CDEDLO C=C[C@@H](COC)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001323931044 961054081 /nfs/dbraw/zinc/05/40/81/961054081.db2.gz WDVGJLLXQJPQGG-JTQLQIEISA-N 1 2 260.297 1.657 20 30 CDEDLO C[C@H](C#N)CN(C)c1nnc([C@H]2CCC[N@@H+]2C)n1C ZINC001338121475 961646444 /nfs/dbraw/zinc/64/64/44/961646444.db2.gz XBCSDDDGDNYCGQ-GHMZBOCLSA-N 1 2 262.361 1.178 20 30 CDEDLO C[C@H](C#N)CN(C)c1nnc([C@H]2CCC[N@H+]2C)n1C ZINC001338121475 961646455 /nfs/dbraw/zinc/64/64/55/961646455.db2.gz XBCSDDDGDNYCGQ-GHMZBOCLSA-N 1 2 262.361 1.178 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](C)OCC1CC1 ZINC001419954250 962283905 /nfs/dbraw/zinc/28/39/05/962283905.db2.gz JMXCYRZPAMHGQI-LBPRGKRZSA-N 1 2 288.819 1.944 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](C)OCC1CC1 ZINC001419954250 962283924 /nfs/dbraw/zinc/28/39/24/962283924.db2.gz JMXCYRZPAMHGQI-LBPRGKRZSA-N 1 2 288.819 1.944 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cnc(OC)nc1 ZINC001420034926 962395110 /nfs/dbraw/zinc/39/51/10/962395110.db2.gz JERQVSRANMWNPA-UHFFFAOYSA-N 1 2 298.774 1.242 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cnc(OC)nc1 ZINC001420034926 962395124 /nfs/dbraw/zinc/39/51/24/962395124.db2.gz JERQVSRANMWNPA-UHFFFAOYSA-N 1 2 298.774 1.242 20 30 CDEDLO CCN(CC[NH2+][C@@H](C)c1csnn1)C(=O)[C@@H](C)C#N ZINC001420232899 962608674 /nfs/dbraw/zinc/60/86/74/962608674.db2.gz FMFKKRDSIOSFNY-UWVGGRQHSA-N 1 2 281.385 1.197 20 30 CDEDLO O=C(CC#Cc1ccccc1)OCCn1cc[nH+]c1 ZINC001341650628 963497391 /nfs/dbraw/zinc/49/73/91/963497391.db2.gz USMGILDVOLVFAU-UHFFFAOYSA-N 1 2 254.289 1.868 20 30 CDEDLO C=C[C@H](COC)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001342763524 963820871 /nfs/dbraw/zinc/82/08/71/963820871.db2.gz YEFLBJXXRKGDNX-CYBMUJFWSA-N 1 2 271.320 1.803 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1cc[nH]n1 ZINC001440899720 964236430 /nfs/dbraw/zinc/23/64/30/964236430.db2.gz CFGPNLCHIMMLLU-JTQLQIEISA-N 1 2 270.764 1.141 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1cc[nH]n1 ZINC001440899720 964236436 /nfs/dbraw/zinc/23/64/36/964236436.db2.gz CFGPNLCHIMMLLU-JTQLQIEISA-N 1 2 270.764 1.141 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1nccn1CC ZINC001442654751 965163344 /nfs/dbraw/zinc/16/33/44/965163344.db2.gz YCAJYBHEUMXMAN-UHFFFAOYSA-N 1 2 284.791 1.707 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1nccn1CC ZINC001442654751 965163349 /nfs/dbraw/zinc/16/33/49/965163349.db2.gz YCAJYBHEUMXMAN-UHFFFAOYSA-N 1 2 284.791 1.707 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NCC)nc1 ZINC001347446641 965529657 /nfs/dbraw/zinc/52/96/57/965529657.db2.gz ZWIFYEMPUKOTFJ-ZDUSSCGKSA-N 1 2 272.352 1.550 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NCC)nc1 ZINC001347446641 965529669 /nfs/dbraw/zinc/52/96/69/965529669.db2.gz ZWIFYEMPUKOTFJ-ZDUSSCGKSA-N 1 2 272.352 1.550 20 30 CDEDLO C=C[C@H](COC)[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC001348487979 966018280 /nfs/dbraw/zinc/01/82/80/966018280.db2.gz KBXVPLZQSKGJPI-RKDXNWHRSA-N 1 2 270.354 1.781 20 30 CDEDLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccc(C#N)cc1 ZINC001543512418 967304543 /nfs/dbraw/zinc/30/45/43/967304543.db2.gz GJUOLCGITCOSNC-JTQLQIEISA-N 1 2 254.293 1.701 20 30 CDEDLO C=C(C)CCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC001358158050 969703995 /nfs/dbraw/zinc/70/39/95/969703995.db2.gz DJCGLFVNKQMCPA-UHFFFAOYSA-N 1 2 252.358 1.324 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cn(C)nc1C1CC1 ZINC001371978497 972728116 /nfs/dbraw/zinc/72/81/16/972728116.db2.gz KMZGRCIITMXUSJ-UHFFFAOYSA-N 1 2 296.802 1.712 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cn(C)nc1C1CC1 ZINC001371978497 972728121 /nfs/dbraw/zinc/72/81/21/972728121.db2.gz KMZGRCIITMXUSJ-UHFFFAOYSA-N 1 2 296.802 1.712 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cc1occc1C ZINC001418491970 973896028 /nfs/dbraw/zinc/89/60/28/973896028.db2.gz DSTYGXBTVOZJLZ-UHFFFAOYSA-N 1 2 270.760 1.931 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cc1occc1C ZINC001418491970 973896039 /nfs/dbraw/zinc/89/60/39/973896039.db2.gz DSTYGXBTVOZJLZ-UHFFFAOYSA-N 1 2 270.760 1.931 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1snnc1C ZINC001375000448 974211669 /nfs/dbraw/zinc/21/16/69/974211669.db2.gz HHRRZGYHZRWHHF-QMMMGPOBSA-N 1 2 288.804 1.649 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1snnc1C ZINC001375000448 974211674 /nfs/dbraw/zinc/21/16/74/974211674.db2.gz HHRRZGYHZRWHHF-QMMMGPOBSA-N 1 2 288.804 1.649 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C1=CCOCC1 ZINC001378037040 975215669 /nfs/dbraw/zinc/21/56/69/975215669.db2.gz JCMARERUYHJNJV-NSHDSACASA-N 1 2 272.776 1.522 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C1=CCOCC1 ZINC001378037040 975215674 /nfs/dbraw/zinc/21/56/74/975215674.db2.gz JCMARERUYHJNJV-NSHDSACASA-N 1 2 272.776 1.522 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](C)OCC(C)C)C1 ZINC001404853949 975512478 /nfs/dbraw/zinc/51/24/78/975512478.db2.gz HLNZIRBNLQBATG-LBPRGKRZSA-N 1 2 288.819 1.848 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCc2cnccn2)C1 ZINC001389499750 975870927 /nfs/dbraw/zinc/87/09/27/975870927.db2.gz PFXWPPXNJXFHOY-CYBMUJFWSA-N 1 2 294.786 1.352 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCc2cnccn2)C1 ZINC001389499750 975870938 /nfs/dbraw/zinc/87/09/38/975870938.db2.gz PFXWPPXNJXFHOY-CYBMUJFWSA-N 1 2 294.786 1.352 20 30 CDEDLO C[C@H](C#N)C(=O)N(C)C1CC[NH+](Cc2ccon2)CC1 ZINC001398188651 975881797 /nfs/dbraw/zinc/88/17/97/975881797.db2.gz WKEHKBIJBPWYFC-LLVKDONJSA-N 1 2 276.340 1.257 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1nnc(C)o1 ZINC001379650396 975988156 /nfs/dbraw/zinc/98/81/56/975988156.db2.gz HSMRERZOJUDRHA-VIFPVBQESA-N 1 2 286.763 1.110 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1nnc(C)o1 ZINC001379650396 975988169 /nfs/dbraw/zinc/98/81/69/975988169.db2.gz HSMRERZOJUDRHA-VIFPVBQESA-N 1 2 286.763 1.110 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1ccco1 ZINC001406150017 976070571 /nfs/dbraw/zinc/07/05/71/976070571.db2.gz QZFRVYBELBHLNL-UHFFFAOYSA-N 1 2 270.760 1.965 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1ccco1 ZINC001406150017 976070584 /nfs/dbraw/zinc/07/05/84/976070584.db2.gz QZFRVYBELBHLNL-UHFFFAOYSA-N 1 2 270.760 1.965 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCn2cccn2)C1 ZINC001402241862 976194912 /nfs/dbraw/zinc/19/49/12/976194912.db2.gz ISCVQBKZDIECMU-ZDUSSCGKSA-N 1 2 296.802 1.606 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCn2cccn2)C1 ZINC001402241862 976194922 /nfs/dbraw/zinc/19/49/22/976194922.db2.gz ISCVQBKZDIECMU-ZDUSSCGKSA-N 1 2 296.802 1.606 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccnn1CCC ZINC001390759924 976490031 /nfs/dbraw/zinc/49/00/31/976490031.db2.gz MSBIYUIXAIUQKV-UHFFFAOYSA-N 1 2 284.791 1.707 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccnn1CCC ZINC001390759924 976490035 /nfs/dbraw/zinc/49/00/35/976490035.db2.gz MSBIYUIXAIUQKV-UHFFFAOYSA-N 1 2 284.791 1.707 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@]1(C)CCCOC1 ZINC001399789359 976679568 /nfs/dbraw/zinc/67/95/68/976679568.db2.gz CSLSVMIFNYMNAW-CQSZACIVSA-N 1 2 288.819 1.994 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@]1(C)CCCOC1 ZINC001399789359 976679576 /nfs/dbraw/zinc/67/95/76/976679576.db2.gz CSLSVMIFNYMNAW-CQSZACIVSA-N 1 2 288.819 1.994 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cnc(C)cn1 ZINC001403112409 976727970 /nfs/dbraw/zinc/72/79/70/976727970.db2.gz KDMAQOPWMROMLY-LLVKDONJSA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cnc(C)cn1 ZINC001403112409 976727978 /nfs/dbraw/zinc/72/79/78/976727978.db2.gz KDMAQOPWMROMLY-LLVKDONJSA-N 1 2 282.775 1.588 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1c(C)ncn1C ZINC001403122741 976740387 /nfs/dbraw/zinc/74/03/87/976740387.db2.gz BHPGWRGXDCRULW-SNVBAGLBSA-N 1 2 284.791 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1c(C)ncn1C ZINC001403122741 976740397 /nfs/dbraw/zinc/74/03/97/976740397.db2.gz BHPGWRGXDCRULW-SNVBAGLBSA-N 1 2 284.791 1.531 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001133379213 1163662787 /nfs/dbraw/zinc/66/27/87/1163662787.db2.gz WJBMGSQGTDMFIR-HNNXBMFYSA-N 1 2 292.383 1.755 20 30 CDEDLO C=C(Cl)C[NH2+]C/C=C/CNC(=O)CCCc1cnn[nH]1 ZINC001575058702 1171097589 /nfs/dbraw/zinc/09/75/89/1171097589.db2.gz FFUYMBKXNRNVPT-NSCUHMNNSA-N 1 2 297.790 1.142 20 30 CDEDLO N#CCN1CCC(NC(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000589343724 342504005 /nfs/dbraw/zinc/50/40/05/342504005.db2.gz UMLVNFKXUSMFFY-UHFFFAOYSA-N 1 2 298.350 1.444 20 30 CDEDLO CN(Cc1ccc(C#N)cc1)C(=O)NCCn1cc[nH+]c1 ZINC000043311231 342003192 /nfs/dbraw/zinc/00/31/92/342003192.db2.gz PQROEXZTJYUFTB-UHFFFAOYSA-N 1 2 283.335 1.596 20 30 CDEDLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)N(C)CCC#N)nc1 ZINC000590754402 342587811 /nfs/dbraw/zinc/58/78/11/342587811.db2.gz FKCHPMWLCRPFBF-CYBMUJFWSA-N 1 2 274.368 1.582 20 30 CDEDLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)N(C)CCC#N)nc1 ZINC000590754402 342587812 /nfs/dbraw/zinc/58/78/12/342587812.db2.gz FKCHPMWLCRPFBF-CYBMUJFWSA-N 1 2 274.368 1.582 20 30 CDEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC000618785840 349529100 /nfs/dbraw/zinc/52/91/00/349529100.db2.gz MPDBJFXUNVHXPN-HNNXBMFYSA-N 1 2 280.331 1.949 20 30 CDEDLO C[C@@H](Nc1ncc(C#N)cc1F)[C@H]1C[N@H+](C)CCO1 ZINC000591150685 342618829 /nfs/dbraw/zinc/61/88/29/342618829.db2.gz MZWFIIXBKHJQEE-BXKDBHETSA-N 1 2 264.304 1.223 20 30 CDEDLO C[C@@H](Nc1ncc(C#N)cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000591150685 342618830 /nfs/dbraw/zinc/61/88/30/342618830.db2.gz MZWFIIXBKHJQEE-BXKDBHETSA-N 1 2 264.304 1.223 20 30 CDEDLO N#Cc1c2c(cnc1N1CC[C@H]([NH+]3CCOCC3)C1)CCC2 ZINC000591820757 342647483 /nfs/dbraw/zinc/64/74/83/342647483.db2.gz PGLMKQGCBFMWJB-AWEZNQCLSA-N 1 2 298.390 1.353 20 30 CDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NCC2CCCCC2)C1 ZINC000592148595 342668419 /nfs/dbraw/zinc/66/84/19/342668419.db2.gz XIKPQVQKIOCEJJ-HNNXBMFYSA-N 1 2 279.384 1.033 20 30 CDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NCC2CCCCC2)C1 ZINC000592148595 342668420 /nfs/dbraw/zinc/66/84/20/342668420.db2.gz XIKPQVQKIOCEJJ-HNNXBMFYSA-N 1 2 279.384 1.033 20 30 CDEDLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149955 342668708 /nfs/dbraw/zinc/66/87/08/342668708.db2.gz AFAKQFYEBUZXQH-FMKPAKJESA-N 1 2 293.411 1.374 20 30 CDEDLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149955 342668709 /nfs/dbraw/zinc/66/87/09/342668709.db2.gz AFAKQFYEBUZXQH-FMKPAKJESA-N 1 2 293.411 1.374 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@]2(CCOC2)O1 ZINC000330069795 529384316 /nfs/dbraw/zinc/38/43/16/529384316.db2.gz HNJACEHPXOVJFC-HIFRSBDPSA-N 1 2 282.384 1.623 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@]2(CCOC2)O1 ZINC000330069795 529384318 /nfs/dbraw/zinc/38/43/18/529384318.db2.gz HNJACEHPXOVJFC-HIFRSBDPSA-N 1 2 282.384 1.623 20 30 CDEDLO CC(C)(C)OC(=O)CN[C@]1(C)CC[N@H+](CC2(C#N)CC2)C1 ZINC000440505035 361879494 /nfs/dbraw/zinc/87/94/94/361879494.db2.gz OHLFAFDIIKWACP-OAHLLOKOSA-N 1 2 293.411 1.686 20 30 CDEDLO CC(C)(C)OC(=O)CN[C@]1(C)CC[N@@H+](CC2(C#N)CC2)C1 ZINC000440505035 361879499 /nfs/dbraw/zinc/87/94/99/361879499.db2.gz OHLFAFDIIKWACP-OAHLLOKOSA-N 1 2 293.411 1.686 20 30 CDEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(CC2(C#N)CC2)C1 ZINC000440505035 361879504 /nfs/dbraw/zinc/87/95/04/361879504.db2.gz OHLFAFDIIKWACP-OAHLLOKOSA-N 1 2 293.411 1.686 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000593153418 342774062 /nfs/dbraw/zinc/77/40/62/342774062.db2.gz OEILALHNLYZJGR-QVHKTLOISA-N 1 2 261.369 1.549 20 30 CDEDLO CC[C@H](C#N)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000593404109 342791364 /nfs/dbraw/zinc/79/13/64/342791364.db2.gz WAJQPCMEVKQEPJ-CYBMUJFWSA-N 1 2 288.351 1.084 20 30 CDEDLO Cn1cc[nH+]c1CNC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000269614054 190520697 /nfs/dbraw/zinc/52/06/97/190520697.db2.gz BNZGGYCNYXDDOW-UHFFFAOYSA-N 1 2 295.346 1.780 20 30 CDEDLO N#CCCCCCC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000588692287 342219785 /nfs/dbraw/zinc/21/97/85/342219785.db2.gz RBSUFPSVCWYFKO-GFCCVEGCSA-N 1 2 260.341 1.788 20 30 CDEDLO CC[C@H](C#N)N(C)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000594094974 342873559 /nfs/dbraw/zinc/87/35/59/342873559.db2.gz RTMQGTPZIQBGPN-SNVBAGLBSA-N 1 2 270.296 1.036 20 30 CDEDLO Cc1ccnc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cn2)c1 ZINC000593961430 342857917 /nfs/dbraw/zinc/85/79/17/342857917.db2.gz JEDPQDGKSBAARK-UHFFFAOYSA-N 1 2 295.346 1.727 20 30 CDEDLO Cc1ccnc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cn2)c1 ZINC000593961430 342857918 /nfs/dbraw/zinc/85/79/18/342857918.db2.gz JEDPQDGKSBAARK-UHFFFAOYSA-N 1 2 295.346 1.727 20 30 CDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000588668290 342218929 /nfs/dbraw/zinc/21/89/29/342218929.db2.gz OABIONOZUMUFIM-ZDUSSCGKSA-N 1 2 289.383 1.035 20 30 CDEDLO CC1(C)CCC[N@H+](C[C@H]2CCNC(=O)CC2)[C@H]1C#N ZINC000336274745 539063861 /nfs/dbraw/zinc/06/38/61/539063861.db2.gz IGKXILGAYVWUQS-OLZOCXBDSA-N 1 2 263.385 1.917 20 30 CDEDLO CC1(C)CCC[N@@H+](C[C@H]2CCNC(=O)CC2)[C@H]1C#N ZINC000336274745 539063862 /nfs/dbraw/zinc/06/38/62/539063862.db2.gz IGKXILGAYVWUQS-OLZOCXBDSA-N 1 2 263.385 1.917 20 30 CDEDLO C=CCC1(NC(=O)CCn2cc[nH+]c2)CCOCC1 ZINC000618246995 342263092 /nfs/dbraw/zinc/26/30/92/342263092.db2.gz GFNUYNLLZPQQPS-UHFFFAOYSA-N 1 2 263.341 1.515 20 30 CDEDLO N#Cc1cccc(CNc2ccc(-n3cncn3)c[nH+]2)c1 ZINC000616206037 342948464 /nfs/dbraw/zinc/94/84/64/342948464.db2.gz LGTKHBPDMXWIKB-UHFFFAOYSA-N 1 2 276.303 1.568 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000595104916 343004331 /nfs/dbraw/zinc/00/43/31/343004331.db2.gz ADLOIPFCRVHDIH-HTQZYQBOSA-N 1 2 256.327 1.127 20 30 CDEDLO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)on1 ZINC000595612341 343108896 /nfs/dbraw/zinc/10/88/96/343108896.db2.gz UPJMDMGNXFDSPZ-NEPJUHHUSA-N 1 2 276.340 1.936 20 30 CDEDLO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC#N)C2)on1 ZINC000595612341 343108898 /nfs/dbraw/zinc/10/88/98/343108898.db2.gz UPJMDMGNXFDSPZ-NEPJUHHUSA-N 1 2 276.340 1.936 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000189792520 362095340 /nfs/dbraw/zinc/09/53/40/362095340.db2.gz OVTXKGZRMFIXLR-CQSZACIVSA-N 1 2 295.427 1.258 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000189792520 362095343 /nfs/dbraw/zinc/09/53/43/362095343.db2.gz OVTXKGZRMFIXLR-CQSZACIVSA-N 1 2 295.427 1.258 20 30 CDEDLO C=CC[NH+](CC=C)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000079795809 342347613 /nfs/dbraw/zinc/34/76/13/342347613.db2.gz AHBBESQJJULASV-HNNXBMFYSA-N 1 2 295.404 1.798 20 30 CDEDLO CCC[C@@H]1C[C@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000079844526 342347900 /nfs/dbraw/zinc/34/79/00/342347900.db2.gz HRBVKTMOZCECKS-HUUCEWRRSA-N 1 2 293.411 1.497 20 30 CDEDLO Cn1nnc2cc(C[N@@H+]3CC[C@](C)(C#N)C3)ccc21 ZINC000595837286 343171640 /nfs/dbraw/zinc/17/16/40/343171640.db2.gz FQNOVFBJECVSAD-CQSZACIVSA-N 1 2 255.325 1.704 20 30 CDEDLO Cn1nnc2cc(C[N@H+]3CC[C@](C)(C#N)C3)ccc21 ZINC000595837286 343171643 /nfs/dbraw/zinc/17/16/43/343171643.db2.gz FQNOVFBJECVSAD-CQSZACIVSA-N 1 2 255.325 1.704 20 30 CDEDLO N#Cc1ccc(F)c(CNC(=O)CCn2cc[nH+]c2)c1 ZINC000080776086 342360566 /nfs/dbraw/zinc/36/05/66/342360566.db2.gz CFODAFGAXRZTBY-UHFFFAOYSA-N 1 2 272.283 1.600 20 30 CDEDLO CCOCCO[C@H]1CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000157659359 362120082 /nfs/dbraw/zinc/12/00/82/362120082.db2.gz UMOQOENOVGNEJG-KGLIPLIRSA-N 1 2 265.357 1.557 20 30 CDEDLO CCOCCO[C@H]1CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000157659359 362120084 /nfs/dbraw/zinc/12/00/84/362120084.db2.gz UMOQOENOVGNEJG-KGLIPLIRSA-N 1 2 265.357 1.557 20 30 CDEDLO Cn1ncc(C#N)c1N1CC[NH+](Cc2ccco2)CC1 ZINC000596063667 343223676 /nfs/dbraw/zinc/22/36/76/343223676.db2.gz ZDDWACMMUUTDQJ-UHFFFAOYSA-N 1 2 271.324 1.207 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000596617462 343357393 /nfs/dbraw/zinc/35/73/93/343357393.db2.gz JLALIFVHYHRFKN-OLZOCXBDSA-N 1 2 255.358 1.851 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000596617462 343357394 /nfs/dbraw/zinc/35/73/94/343357394.db2.gz JLALIFVHYHRFKN-OLZOCXBDSA-N 1 2 255.358 1.851 20 30 CDEDLO C[C@@H]1CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCS1 ZINC000330189115 362174679 /nfs/dbraw/zinc/17/46/79/362174679.db2.gz LPBDWPFQUXVENJ-MNOVXSKESA-N 1 2 280.397 1.549 20 30 CDEDLO C[C@H](Nc1nc(C#N)c(Cl)s1)c1[nH+]ccn1C ZINC000596541588 343346522 /nfs/dbraw/zinc/34/65/22/343346522.db2.gz HXZYXMFSMBZFMV-LURJTMIESA-N 1 2 267.745 1.997 20 30 CDEDLO CCc1nc(C#N)cc(N[C@H](C)c2[nH+]ccn2C)n1 ZINC000596543380 343347173 /nfs/dbraw/zinc/34/71/73/343347173.db2.gz SOGOLTOCLQTPLM-SECBINFHSA-N 1 2 256.313 1.239 20 30 CDEDLO CCc1nn(C)cc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000092856055 342419755 /nfs/dbraw/zinc/41/97/55/342419755.db2.gz KNTHPHWJRGWBQG-HNNXBMFYSA-N 1 2 297.362 1.170 20 30 CDEDLO C=CCOc1ccccc1C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000092006754 342409361 /nfs/dbraw/zinc/40/93/61/342409361.db2.gz LYYLUUILZPHIHE-DOMZBBRYSA-N 1 2 290.363 1.326 20 30 CDEDLO C=CCOc1ccccc1C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000092006754 342409362 /nfs/dbraw/zinc/40/93/62/342409362.db2.gz LYYLUUILZPHIHE-DOMZBBRYSA-N 1 2 290.363 1.326 20 30 CDEDLO C[C@@H](C#N)CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC000597436638 343536367 /nfs/dbraw/zinc/53/63/67/343536367.db2.gz HJOIGQQQKZAYSR-CYZMBNFOSA-N 1 2 272.352 1.674 20 30 CDEDLO CC1(C)C[C@@]1(C#N)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000597669641 343601580 /nfs/dbraw/zinc/60/15/80/343601580.db2.gz CPEONAHJOLFYJR-HZMBPMFUSA-N 1 2 258.325 1.254 20 30 CDEDLO Cc1[nH]c(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)[nH+]c1C ZINC000600161099 349839054 /nfs/dbraw/zinc/83/90/54/349839054.db2.gz HMEANHXDSAIUJQ-CQSZACIVSA-N 1 2 297.362 1.947 20 30 CDEDLO Cc1nc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)[nH]c1C ZINC000600161099 349839058 /nfs/dbraw/zinc/83/90/58/349839058.db2.gz HMEANHXDSAIUJQ-CQSZACIVSA-N 1 2 297.362 1.947 20 30 CDEDLO Cc1nc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)[nH]c1C ZINC000600161099 349839062 /nfs/dbraw/zinc/83/90/62/349839062.db2.gz HMEANHXDSAIUJQ-CQSZACIVSA-N 1 2 297.362 1.947 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)C2(C#N)CCCC2)[C@@H](C)CO1 ZINC000598000495 343685849 /nfs/dbraw/zinc/68/58/49/343685849.db2.gz VFQJGWSRDIPLAW-STQMWFEESA-N 1 2 279.384 1.296 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)C2(C#N)CCCC2)[C@@H](C)CO1 ZINC000598000495 343685851 /nfs/dbraw/zinc/68/58/51/343685851.db2.gz VFQJGWSRDIPLAW-STQMWFEESA-N 1 2 279.384 1.296 20 30 CDEDLO C[C@H](C#N)N(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000598131849 343722996 /nfs/dbraw/zinc/72/29/96/343722996.db2.gz NIGHSVGIIKWROS-MNOVXSKESA-N 1 2 258.325 1.349 20 30 CDEDLO C[C@@H](C#N)N(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000598132201 343723393 /nfs/dbraw/zinc/72/33/93/343723393.db2.gz RIAOZFITVLHRIU-WDEREUQCSA-N 1 2 258.325 1.349 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000353161972 529841408 /nfs/dbraw/zinc/84/14/08/529841408.db2.gz GHRKNHUGOMGTKS-UHFFFAOYSA-N 1 2 267.373 1.105 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598463759 343805946 /nfs/dbraw/zinc/80/59/46/343805946.db2.gz BHIWJGYNKKNFGT-JTQLQIEISA-N 1 2 269.308 1.486 20 30 CDEDLO CC(C)CNC(=O)CO[NH+]=C(N)c1cccc(Cl)c1 ZINC000048376234 260199342 /nfs/dbraw/zinc/19/93/42/260199342.db2.gz TWFYHIVUNGFCTB-UHFFFAOYSA-N 1 2 283.759 1.749 20 30 CDEDLO Cc1noc([C@H](C)[N@H+](C)C[C@@H](O)CC(C)(C)C#N)n1 ZINC000598623769 343847005 /nfs/dbraw/zinc/84/70/05/343847005.db2.gz RUKXSZYLZHJGPG-ONGXEEELSA-N 1 2 266.345 1.672 20 30 CDEDLO Cc1noc([C@H](C)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)n1 ZINC000598623769 343847007 /nfs/dbraw/zinc/84/70/07/343847007.db2.gz RUKXSZYLZHJGPG-ONGXEEELSA-N 1 2 266.345 1.672 20 30 CDEDLO CCCCNC(=O)CO[NH+]=C(N)Cc1csc(C)n1 ZINC000049065854 260203378 /nfs/dbraw/zinc/20/33/78/260203378.db2.gz JWEUBEZOAOOGFE-UHFFFAOYSA-N 1 2 284.385 1.199 20 30 CDEDLO Cc1nc(CC(N)=[NH+]OCC(=O)NCC(C)C)cs1 ZINC000049065849 260203626 /nfs/dbraw/zinc/20/36/26/260203626.db2.gz YITMYUYESODDST-UHFFFAOYSA-N 1 2 284.385 1.055 20 30 CDEDLO N#Cc1ccc(NCC(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000598947220 343923094 /nfs/dbraw/zinc/92/30/94/343923094.db2.gz KNWXWFVTZJEXJB-AWEZNQCLSA-N 1 2 295.346 1.298 20 30 CDEDLO COc1cc(C[N@@H+]2CCc3n[nH]cc3C2)ccc1C#N ZINC000598940647 343923444 /nfs/dbraw/zinc/92/34/44/343923444.db2.gz PXKALOXKLYXUGK-UHFFFAOYSA-N 1 2 268.320 1.848 20 30 CDEDLO COc1cc(C[N@H+]2CCc3n[nH]cc3C2)ccc1C#N ZINC000598940647 343923445 /nfs/dbraw/zinc/92/34/45/343923445.db2.gz PXKALOXKLYXUGK-UHFFFAOYSA-N 1 2 268.320 1.848 20 30 CDEDLO C[N@@H+](Cc1cnc[nH]1)C[C@@H](O)COc1ccccc1C#N ZINC000599459463 344058575 /nfs/dbraw/zinc/05/85/75/344058575.db2.gz KKLNYWYBOOAGHJ-CQSZACIVSA-N 1 2 286.335 1.153 20 30 CDEDLO C[N@H+](Cc1cnc[nH]1)C[C@@H](O)COc1ccccc1C#N ZINC000599459463 344058578 /nfs/dbraw/zinc/05/85/78/344058578.db2.gz KKLNYWYBOOAGHJ-CQSZACIVSA-N 1 2 286.335 1.153 20 30 CDEDLO C[N@@H+](Cc1c[nH]cn1)C[C@@H](O)COc1ccccc1C#N ZINC000599459463 344058581 /nfs/dbraw/zinc/05/85/81/344058581.db2.gz KKLNYWYBOOAGHJ-CQSZACIVSA-N 1 2 286.335 1.153 20 30 CDEDLO C[N@H+](Cc1c[nH]cn1)C[C@@H](O)COc1ccccc1C#N ZINC000599459463 344058585 /nfs/dbraw/zinc/05/85/85/344058585.db2.gz KKLNYWYBOOAGHJ-CQSZACIVSA-N 1 2 286.335 1.153 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2CC2(C#N)CC2)O1 ZINC000619784996 349902045 /nfs/dbraw/zinc/90/20/45/349902045.db2.gz PNFYNWYPIIVJLS-RNJOBUHISA-N 1 2 278.352 1.474 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2CC2(C#N)CC2)O1 ZINC000619784996 349902047 /nfs/dbraw/zinc/90/20/47/349902047.db2.gz PNFYNWYPIIVJLS-RNJOBUHISA-N 1 2 278.352 1.474 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CC1(C)COC1 ZINC000599571536 344090276 /nfs/dbraw/zinc/09/02/76/344090276.db2.gz KMIWWYNPJVZKHW-CQSZACIVSA-N 1 2 288.347 1.741 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC1(C)COC1 ZINC000599571536 344090278 /nfs/dbraw/zinc/09/02/78/344090278.db2.gz KMIWWYNPJVZKHW-CQSZACIVSA-N 1 2 288.347 1.741 20 30 CDEDLO N#CCc1ccccc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000601586024 344199023 /nfs/dbraw/zinc/19/90/23/344199023.db2.gz INWUJIUUHMCVQY-UHFFFAOYSA-N 1 2 266.304 1.605 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(=O)OC ZINC000602642813 344512645 /nfs/dbraw/zinc/51/26/45/344512645.db2.gz AAQCNZAHSGIUIU-FQUUOJAGSA-N 1 2 295.379 1.278 20 30 CDEDLO COc1cc(F)cc(OC)c1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000602696292 344543451 /nfs/dbraw/zinc/54/34/51/344543451.db2.gz KZAAVIHWUJMNMX-HNNXBMFYSA-N 1 2 294.326 1.693 20 30 CDEDLO COc1cc(F)cc(OC)c1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000602696292 344543453 /nfs/dbraw/zinc/54/34/53/344543453.db2.gz KZAAVIHWUJMNMX-HNNXBMFYSA-N 1 2 294.326 1.693 20 30 CDEDLO CC[C@@H]1C[N@H+](CC2(CC#N)CC2)C[C@@H](C)[S@]1=O ZINC000602831469 344614249 /nfs/dbraw/zinc/61/42/49/344614249.db2.gz PHMFSMPWMUPHLM-PSTGCABASA-N 1 2 254.399 1.912 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC2(CC#N)CC2)C[C@@H](C)[S@]1=O ZINC000602831469 344614250 /nfs/dbraw/zinc/61/42/50/344614250.db2.gz PHMFSMPWMUPHLM-PSTGCABASA-N 1 2 254.399 1.912 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000602860435 344616564 /nfs/dbraw/zinc/61/65/64/344616564.db2.gz DIFRECSIRXBVFU-YRGRVCCFSA-N 1 2 287.363 1.907 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000602861761 344617312 /nfs/dbraw/zinc/61/73/12/344617312.db2.gz IRFBHYYQOSJHMD-NSHDSACASA-N 1 2 256.309 1.066 20 30 CDEDLO Cn1nccc1[C@@H]1c2[nH]c[nH+]c2CCN1CC1(CC#N)CC1 ZINC000602853646 344628535 /nfs/dbraw/zinc/62/85/35/344628535.db2.gz KAKNZGCCOWCCMJ-OAHLLOKOSA-N 1 2 296.378 1.785 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccnn1C1CCCC1 ZINC000602867920 344639286 /nfs/dbraw/zinc/63/92/86/344639286.db2.gz FPHLVOBAARNKJS-NSHDSACASA-N 1 2 275.356 1.828 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1cccc2nsnc21 ZINC000602870004 344640418 /nfs/dbraw/zinc/64/04/18/344640418.db2.gz RPZOEZXYWXTWRG-MRVPVSSYSA-N 1 2 275.337 1.522 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000602870708 344641101 /nfs/dbraw/zinc/64/11/01/344641101.db2.gz VWXLEQGFOUAIBM-JTQLQIEISA-N 1 2 288.307 1.376 20 30 CDEDLO C[N@H+](CCC#N)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000603465401 344809525 /nfs/dbraw/zinc/80/95/25/344809525.db2.gz UICABRHIVCMTFM-UHFFFAOYSA-N 1 2 257.337 1.924 20 30 CDEDLO C[N@@H+](CCC#N)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000603465401 344809529 /nfs/dbraw/zinc/80/95/29/344809529.db2.gz UICABRHIVCMTFM-UHFFFAOYSA-N 1 2 257.337 1.924 20 30 CDEDLO C[C@@H](Nc1cc(C#N)nc(C2CC2)n1)c1[nH+]ccn1C ZINC000601199531 349924914 /nfs/dbraw/zinc/92/49/14/349924914.db2.gz WZZLRZWWNHQLCQ-SECBINFHSA-N 1 2 268.324 1.554 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1sccc1C#N ZINC000052035374 345226847 /nfs/dbraw/zinc/22/68/47/345226847.db2.gz DOSOQKASWJOOSO-SECBINFHSA-N 1 2 260.322 1.635 20 30 CDEDLO N#CC1(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)CCCC1 ZINC000382678569 345243221 /nfs/dbraw/zinc/24/32/21/345243221.db2.gz ZPFHQPRUKUIAAI-CQSZACIVSA-N 1 2 291.395 1.394 20 30 CDEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000052711820 345301367 /nfs/dbraw/zinc/30/13/67/345301367.db2.gz AWVVDOMAAHXTAH-UHFFFAOYSA-N 1 2 279.409 1.168 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000617485368 345590057 /nfs/dbraw/zinc/59/00/57/345590057.db2.gz DWNYKQBUNDZRHO-MRXNPFEDSA-N 1 2 289.379 1.625 20 30 CDEDLO COC(=O)[C@H](C)[N@H+](C)CCOc1ccccc1C#N ZINC000265990489 362654115 /nfs/dbraw/zinc/65/41/15/362654115.db2.gz JICXROVAWRTNFP-NSHDSACASA-N 1 2 262.309 1.430 20 30 CDEDLO COC(=O)[C@H](C)[N@@H+](C)CCOc1ccccc1C#N ZINC000265990489 362654119 /nfs/dbraw/zinc/65/41/19/362654119.db2.gz JICXROVAWRTNFP-NSHDSACASA-N 1 2 262.309 1.430 20 30 CDEDLO C=CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H](C)COC ZINC000617583866 345870041 /nfs/dbraw/zinc/87/00/41/345870041.db2.gz REATXPBCIBUFNE-OLZOCXBDSA-N 1 2 277.368 1.495 20 30 CDEDLO C=CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000617617888 345879693 /nfs/dbraw/zinc/87/96/93/345879693.db2.gz ZSCJYFNFMHCXLU-CYBMUJFWSA-N 1 2 252.358 1.322 20 30 CDEDLO C=CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000617617888 345879696 /nfs/dbraw/zinc/87/96/96/345879696.db2.gz ZSCJYFNFMHCXLU-CYBMUJFWSA-N 1 2 252.358 1.322 20 30 CDEDLO N#CCSCCC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000174171806 365807620 /nfs/dbraw/zinc/80/76/20/365807620.db2.gz JDFVCBDWAOOGFL-AWEZNQCLSA-N 1 2 289.404 1.806 20 30 CDEDLO N#CCSCCC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000174171806 365807626 /nfs/dbraw/zinc/80/76/26/365807626.db2.gz JDFVCBDWAOOGFL-AWEZNQCLSA-N 1 2 289.404 1.806 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOCC1(C)C ZINC000064517907 346267588 /nfs/dbraw/zinc/26/75/88/346267588.db2.gz CHLTYBCERAYIQD-UHFFFAOYSA-N 1 2 254.374 1.522 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOCC1(C)C ZINC000064517907 346267591 /nfs/dbraw/zinc/26/75/91/346267591.db2.gz CHLTYBCERAYIQD-UHFFFAOYSA-N 1 2 254.374 1.522 20 30 CDEDLO CCNC(=O)C[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000610613517 346323429 /nfs/dbraw/zinc/32/34/29/346323429.db2.gz VENFNDRPBXFBNT-UHFFFAOYSA-N 1 2 297.305 1.728 20 30 CDEDLO CCNC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000610613517 346323434 /nfs/dbraw/zinc/32/34/34/346323434.db2.gz VENFNDRPBXFBNT-UHFFFAOYSA-N 1 2 297.305 1.728 20 30 CDEDLO CC(C)C[C@H](C#N)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000611012008 346576148 /nfs/dbraw/zinc/57/61/48/346576148.db2.gz DHOLQAOZORPDQZ-VXGBXAGGSA-N 1 2 260.341 1.500 20 30 CDEDLO COC(=O)c1cccc(C[N@@H+]2CCCOC[C@H]2C)c1C#N ZINC000611127237 346615470 /nfs/dbraw/zinc/61/54/70/346615470.db2.gz HZMHXARLYUVPHY-GFCCVEGCSA-N 1 2 288.347 1.956 20 30 CDEDLO COC(=O)c1cccc(C[N@H+]2CCCOC[C@H]2C)c1C#N ZINC000611127237 346615471 /nfs/dbraw/zinc/61/54/71/346615471.db2.gz HZMHXARLYUVPHY-GFCCVEGCSA-N 1 2 288.347 1.956 20 30 CDEDLO N#Cc1cc(C[NH+]2CCN(c3cccc(O)c3)CC2)ccn1 ZINC000610991744 346568123 /nfs/dbraw/zinc/56/81/23/346568123.db2.gz OUHSSQMFYWEOQB-UHFFFAOYSA-N 1 2 294.358 1.981 20 30 CDEDLO CCc1noc(C)c1C[NH+]1CCN(CCC#N)CC1 ZINC000611176124 346632249 /nfs/dbraw/zinc/63/22/49/346632249.db2.gz UKLZKALVIDUPRM-UHFFFAOYSA-N 1 2 262.357 1.577 20 30 CDEDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000611374303 346772291 /nfs/dbraw/zinc/77/22/91/346772291.db2.gz XBHSPCWHFUEYOU-JTQLQIEISA-N 1 2 261.300 1.408 20 30 CDEDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1cccc(C#N)c1F ZINC000611374303 346772293 /nfs/dbraw/zinc/77/22/93/346772293.db2.gz XBHSPCWHFUEYOU-JTQLQIEISA-N 1 2 261.300 1.408 20 30 CDEDLO N#CC1(C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CCC1 ZINC000450495705 362827780 /nfs/dbraw/zinc/82/77/80/362827780.db2.gz BCHGGUUJQZZZQU-CYBMUJFWSA-N 1 2 297.424 1.180 20 30 CDEDLO N#CC1(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CCC1 ZINC000450495705 362827782 /nfs/dbraw/zinc/82/77/82/362827782.db2.gz BCHGGUUJQZZZQU-CYBMUJFWSA-N 1 2 297.424 1.180 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000451756150 347508692 /nfs/dbraw/zinc/50/86/92/347508692.db2.gz GJBIJYWDMPEARQ-FQEVSTJZSA-N 1 2 298.452 1.420 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000451756150 347508697 /nfs/dbraw/zinc/50/86/97/347508697.db2.gz GJBIJYWDMPEARQ-FQEVSTJZSA-N 1 2 298.452 1.420 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000066895320 347545943 /nfs/dbraw/zinc/54/59/43/347545943.db2.gz KPXIOOCBBYRTGG-LBPRGKRZSA-N 1 2 251.330 1.371 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000069321196 347572543 /nfs/dbraw/zinc/57/25/43/347572543.db2.gz MFWGHXKVMGKXBD-CYBMUJFWSA-N 1 2 284.400 1.195 20 30 CDEDLO CC(C)(C)c1ccc(C#N)c(NC[C@@H]2C[NH+]3CCN2CC3)n1 ZINC000613428102 347724266 /nfs/dbraw/zinc/72/42/66/347724266.db2.gz TYFCKPAYFXTWLN-CQSZACIVSA-N 1 2 299.422 1.662 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000613638416 347806325 /nfs/dbraw/zinc/80/63/25/347806325.db2.gz HADJRAJQDIAUFV-ZDUSSCGKSA-N 1 2 295.427 1.400 20 30 CDEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000613638416 347806328 /nfs/dbraw/zinc/80/63/28/347806328.db2.gz HADJRAJQDIAUFV-ZDUSSCGKSA-N 1 2 295.427 1.400 20 30 CDEDLO C=C[C@@H](O)C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000614544145 348138649 /nfs/dbraw/zinc/13/86/49/348138649.db2.gz AXGXKKGPKPDUFG-CQSZACIVSA-N 1 2 285.347 1.614 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](CNC(=O)CCC)C1 ZINC000619717173 348183387 /nfs/dbraw/zinc/18/33/87/348183387.db2.gz FFNFCFKVWKWXSA-QWHCGFSZSA-N 1 2 282.384 1.342 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](CNC(=O)CCC)C1 ZINC000619717173 348183391 /nfs/dbraw/zinc/18/33/91/348183391.db2.gz FFNFCFKVWKWXSA-QWHCGFSZSA-N 1 2 282.384 1.342 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000619717692 348184998 /nfs/dbraw/zinc/18/49/98/348184998.db2.gz APGYVQSNJJBIBX-CHWSQXEVSA-N 1 2 296.411 1.588 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000619717692 348184999 /nfs/dbraw/zinc/18/49/99/348184999.db2.gz APGYVQSNJJBIBX-CHWSQXEVSA-N 1 2 296.411 1.588 20 30 CDEDLO COCc1ccccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414147187 362925452 /nfs/dbraw/zinc/92/54/52/362925452.db2.gz QAOCHPPHILMKAG-CQSZACIVSA-N 1 2 278.352 1.418 20 30 CDEDLO COCc1ccccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414147187 362925457 /nfs/dbraw/zinc/92/54/57/362925457.db2.gz QAOCHPPHILMKAG-CQSZACIVSA-N 1 2 278.352 1.418 20 30 CDEDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000615227042 348399058 /nfs/dbraw/zinc/39/90/58/348399058.db2.gz QCPDDQPFENNMCW-JTQLQIEISA-N 1 2 277.755 1.922 20 30 CDEDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000615227042 348399060 /nfs/dbraw/zinc/39/90/60/348399060.db2.gz QCPDDQPFENNMCW-JTQLQIEISA-N 1 2 277.755 1.922 20 30 CDEDLO C#CC[NH+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000024202024 348545729 /nfs/dbraw/zinc/54/57/29/348545729.db2.gz CDHIAHQBUDBBOT-UHFFFAOYSA-N 1 2 291.336 1.059 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000072906528 349139426 /nfs/dbraw/zinc/13/94/26/349139426.db2.gz KBMIWRKKLQAAMF-UHFFFAOYSA-N 1 2 265.316 1.071 20 30 CDEDLO Cc1nccnc1N1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602657723 350137673 /nfs/dbraw/zinc/13/76/73/350137673.db2.gz RRGNUJFNZRTVRF-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO C=CCCOCC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000620858515 350346406 /nfs/dbraw/zinc/34/64/06/350346406.db2.gz PEGAGJHGWNBVAW-UHFFFAOYSA-N 1 2 296.371 1.075 20 30 CDEDLO COC(=O)C1(O)CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000271392420 191114038 /nfs/dbraw/zinc/11/40/38/191114038.db2.gz LOVKMHOMQFNWDM-UHFFFAOYSA-N 1 2 292.310 1.197 20 30 CDEDLO Cc1cccn2cc(CNC(=O)CSCC#N)[nH+]c12 ZINC000264825148 363161261 /nfs/dbraw/zinc/16/12/61/363161261.db2.gz YEMKTNFUAUHKJI-UHFFFAOYSA-N 1 2 274.349 1.516 20 30 CDEDLO C#CCN(C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000292365437 198260463 /nfs/dbraw/zinc/26/04/63/198260463.db2.gz KDVJMDPZAZMRLH-UHFFFAOYSA-N 1 2 272.352 1.456 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCCN(C(N)=O)CC2)ccc1F ZINC000156786890 188281964 /nfs/dbraw/zinc/28/19/64/188281964.db2.gz LLZCEAOSTSXZRU-UHFFFAOYSA-N 1 2 276.315 1.284 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCCN(C(N)=O)CC2)ccc1F ZINC000156786890 188281965 /nfs/dbraw/zinc/28/19/65/188281965.db2.gz LLZCEAOSTSXZRU-UHFFFAOYSA-N 1 2 276.315 1.284 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)C(CC)CC)CC1 ZINC000642097890 366146635 /nfs/dbraw/zinc/14/66/35/366146635.db2.gz FQUHLPUGTMGFLI-CYBMUJFWSA-N 1 2 295.427 1.258 20 30 CDEDLO C[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000264398335 366188260 /nfs/dbraw/zinc/18/82/60/366188260.db2.gz GVMSGWHSMPIDFS-JQWIXIFHSA-N 1 2 293.392 1.794 20 30 CDEDLO C[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000264398335 366188263 /nfs/dbraw/zinc/18/82/63/366188263.db2.gz GVMSGWHSMPIDFS-JQWIXIFHSA-N 1 2 293.392 1.794 20 30 CDEDLO Cc1ccccc1/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000493083829 366192107 /nfs/dbraw/zinc/19/21/07/366192107.db2.gz AKENAMVYQWCEED-SCOAYWHSSA-N 1 2 271.364 1.968 20 30 CDEDLO CCCC[N@H+](CC(N)=O)CC(=O)Nc1ccc(C#N)cc1 ZINC000047952538 355889178 /nfs/dbraw/zinc/88/91/78/355889178.db2.gz QCIJTIVIOBJBJY-UHFFFAOYSA-N 1 2 288.351 1.084 20 30 CDEDLO CCCC[N@@H+](CC(N)=O)CC(=O)Nc1ccc(C#N)cc1 ZINC000047952538 355889182 /nfs/dbraw/zinc/88/91/82/355889182.db2.gz QCIJTIVIOBJBJY-UHFFFAOYSA-N 1 2 288.351 1.084 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c(F)c1 ZINC000168535445 283140916 /nfs/dbraw/zinc/14/09/16/283140916.db2.gz PCRRNPQXGAUSEI-CYBMUJFWSA-N 1 2 273.311 1.504 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)c(F)c1 ZINC000168535445 283140920 /nfs/dbraw/zinc/14/09/20/283140920.db2.gz PCRRNPQXGAUSEI-CYBMUJFWSA-N 1 2 273.311 1.504 20 30 CDEDLO C[C@H](C#N)CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000521336801 356389858 /nfs/dbraw/zinc/38/98/58/356389858.db2.gz GWWSLYJOZMJKAE-LLVKDONJSA-N 1 2 275.356 1.520 20 30 CDEDLO C=Cn1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)cn1 ZINC000559305069 356620506 /nfs/dbraw/zinc/62/05/06/356620506.db2.gz LSVFMRIWEPELQZ-UHFFFAOYSA-N 1 2 294.362 1.572 20 30 CDEDLO CN(C(=O)Nc1ccn2cc[nH+]c2c1)[C@@H]1CCN(C)C1=O ZINC000329520502 538579202 /nfs/dbraw/zinc/57/92/02/538579202.db2.gz OLHGPBQREZBGKT-LLVKDONJSA-N 1 2 287.323 1.042 20 30 CDEDLO N#Cc1ccnc(N2CCn3c[nH+]cc3C2)c1Cl ZINC000357548461 283224419 /nfs/dbraw/zinc/22/44/19/283224419.db2.gz NUWFDZBZGRMXKE-UHFFFAOYSA-N 1 2 259.700 1.823 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000299256851 357001046 /nfs/dbraw/zinc/00/10/46/357001046.db2.gz BQRRTKOZWYEBHX-CQSZACIVSA-N 1 2 292.379 1.905 20 30 CDEDLO Cc1ccc2[nH+]c(CNC(=O)C(C)(C)C#N)cn2c1 ZINC000048968975 357202846 /nfs/dbraw/zinc/20/28/46/357202846.db2.gz FMHBXANWESYWOL-UHFFFAOYSA-N 1 2 256.309 1.809 20 30 CDEDLO Cc1csc2nc(C[N@@H+](C)C[C@@H](C)C#N)cc(=O)n12 ZINC000049001154 357203405 /nfs/dbraw/zinc/20/34/05/357203405.db2.gz OCXIXFWPMRPFDI-VIFPVBQESA-N 1 2 276.365 1.656 20 30 CDEDLO Cc1csc2nc(C[N@H+](C)C[C@@H](C)C#N)cc(=O)n12 ZINC000049001154 357203408 /nfs/dbraw/zinc/20/34/08/357203408.db2.gz OCXIXFWPMRPFDI-VIFPVBQESA-N 1 2 276.365 1.656 20 30 CDEDLO N#Cc1cc(NCc2cc[nH+]c(N3CCCC3)c2)ccn1 ZINC000341364284 357237370 /nfs/dbraw/zinc/23/73/70/357237370.db2.gz QCEZDSDAGTWRBX-UHFFFAOYSA-N 1 2 279.347 1.982 20 30 CDEDLO C[C@H]1C[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000182588790 357441055 /nfs/dbraw/zinc/44/10/55/357441055.db2.gz TUQHVMRGKMYYII-XJKSGUPXSA-N 1 2 299.374 1.774 20 30 CDEDLO C[C@H]1C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000182588790 357441060 /nfs/dbraw/zinc/44/10/60/357441060.db2.gz TUQHVMRGKMYYII-XJKSGUPXSA-N 1 2 299.374 1.774 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@@](F)(CO)C2)c(F)c1 ZINC000334265085 357556369 /nfs/dbraw/zinc/55/63/69/357556369.db2.gz XZECLHQQYDAFBN-ZDUSSCGKSA-N 1 2 252.264 1.604 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)c(F)c1 ZINC000334265085 357556374 /nfs/dbraw/zinc/55/63/74/357556374.db2.gz XZECLHQQYDAFBN-ZDUSSCGKSA-N 1 2 252.264 1.604 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000334785059 357632734 /nfs/dbraw/zinc/63/27/34/357632734.db2.gz AOYSYYKHEFGPRZ-LBPRGKRZSA-N 1 2 269.308 1.895 20 30 CDEDLO CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000187693015 357796125 /nfs/dbraw/zinc/79/61/25/357796125.db2.gz CPCLYGSORJGNTD-BLLLJJGKSA-N 1 2 287.363 1.456 20 30 CDEDLO CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000187693015 357796130 /nfs/dbraw/zinc/79/61/30/357796130.db2.gz CPCLYGSORJGNTD-BLLLJJGKSA-N 1 2 287.363 1.456 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)CSC(F)F)CC1 ZINC000294615912 199108748 /nfs/dbraw/zinc/10/87/48/199108748.db2.gz RDEJPKKSVXLPTD-UHFFFAOYSA-N 1 2 262.325 1.110 20 30 CDEDLO N#Cc1ccccc1OCC[N@@H+]1CCOC[C@@]12CCOC2 ZINC000193675259 358314961 /nfs/dbraw/zinc/31/49/61/358314961.db2.gz YYHQHMVVNWVSTR-INIZCTEOSA-N 1 2 288.347 1.428 20 30 CDEDLO N#Cc1ccccc1OCC[N@H+]1CCOC[C@@]12CCOC2 ZINC000193675259 358314962 /nfs/dbraw/zinc/31/49/62/358314962.db2.gz YYHQHMVVNWVSTR-INIZCTEOSA-N 1 2 288.347 1.428 20 30 CDEDLO C#CCNC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000151306240 358799851 /nfs/dbraw/zinc/79/98/51/358799851.db2.gz HBELPVSIXOGTMC-UHFFFAOYSA-N 1 2 291.782 1.800 20 30 CDEDLO COCC[C@@H]1COCC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000291277497 358909623 /nfs/dbraw/zinc/90/96/23/358909623.db2.gz OJBNOUMVDAGLML-OAHLLOKOSA-N 1 2 290.363 1.804 20 30 CDEDLO COCC[C@@H]1COCC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000291277497 358909627 /nfs/dbraw/zinc/90/96/27/358909627.db2.gz OJBNOUMVDAGLML-OAHLLOKOSA-N 1 2 290.363 1.804 20 30 CDEDLO C=CCN(C)C(=O)[C@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000346498745 359018453 /nfs/dbraw/zinc/01/84/53/359018453.db2.gz WZFYUASGWZGHJE-OLZOCXBDSA-N 1 2 259.353 1.798 20 30 CDEDLO N#Cc1cc(Cl)ccc1N1CCC[N@@H+](CC(N)=O)CC1 ZINC000365265963 359212083 /nfs/dbraw/zinc/21/20/83/359212083.db2.gz MTZATWLKZPKHGW-UHFFFAOYSA-N 1 2 292.770 1.209 20 30 CDEDLO N#Cc1cc(Cl)ccc1N1CCC[N@H+](CC(N)=O)CC1 ZINC000365265963 359212090 /nfs/dbraw/zinc/21/20/90/359212090.db2.gz MTZATWLKZPKHGW-UHFFFAOYSA-N 1 2 292.770 1.209 20 30 CDEDLO C=C1CC[NH+](CC(=O)N[C@@H](C(=O)OC)[C@H](C)CC)CC1 ZINC000264520366 359312886 /nfs/dbraw/zinc/31/28/86/359312886.db2.gz ZXLZKDMNEJUTTR-TZMCWYRMSA-N 1 2 282.384 1.342 20 30 CDEDLO Cc1c[nH+]ccc1CCNc1ncc([N+](=O)[O-])cc1C#N ZINC000339056823 359283134 /nfs/dbraw/zinc/28/31/34/359283134.db2.gz WQSJXTQNRGPOOO-UHFFFAOYSA-N 1 2 283.291 1.641 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](O)C2)c1C ZINC000265015826 359320441 /nfs/dbraw/zinc/32/04/41/359320441.db2.gz IFNPSYCEJUMUMO-ZDUSSCGKSA-N 1 2 262.353 1.540 20 30 CDEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](O)C2)c1C ZINC000265015826 359320446 /nfs/dbraw/zinc/32/04/46/359320446.db2.gz IFNPSYCEJUMUMO-ZDUSSCGKSA-N 1 2 262.353 1.540 20 30 CDEDLO C#CC[C@@H](NC(=O)NCCn1cc[nH+]c1)c1ccccc1 ZINC000270148557 359391643 /nfs/dbraw/zinc/39/16/43/359391643.db2.gz ULORSKCZKKLZSG-OAHLLOKOSA-N 1 2 282.347 1.947 20 30 CDEDLO C#CC[N@@H+](CC(=O)N1CC(=O)Nc2ccccc21)C1CC1 ZINC000274220355 359495121 /nfs/dbraw/zinc/49/51/21/359495121.db2.gz VDWVWWJGSFCRCU-UHFFFAOYSA-N 1 2 283.331 1.069 20 30 CDEDLO C#CC[N@H+](CC(=O)N1CC(=O)Nc2ccccc21)C1CC1 ZINC000274220355 359495128 /nfs/dbraw/zinc/49/51/28/359495128.db2.gz VDWVWWJGSFCRCU-UHFFFAOYSA-N 1 2 283.331 1.069 20 30 CDEDLO C=CCOCCC[N@H+]1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000348049765 359800809 /nfs/dbraw/zinc/80/08/09/359800809.db2.gz JMNFZUARXBURJL-STQMWFEESA-N 1 2 299.367 1.006 20 30 CDEDLO C=CCOCCC[N@@H+]1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC ZINC000348049765 359800815 /nfs/dbraw/zinc/80/08/15/359800815.db2.gz JMNFZUARXBURJL-STQMWFEESA-N 1 2 299.367 1.006 20 30 CDEDLO C#Cc1ccc(C[NH+]2CC(OCCOCC)C2)cc1 ZINC000297661442 200255165 /nfs/dbraw/zinc/25/51/65/200255165.db2.gz NVJAGLRTVPQAEA-UHFFFAOYSA-N 1 2 259.349 1.905 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cn3ccccc3n2)C1=O ZINC000337227796 360037447 /nfs/dbraw/zinc/03/74/47/360037447.db2.gz QKDIRVUUEGSHJB-CQSZACIVSA-N 1 2 284.363 1.553 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cn3ccccc3n2)C1=O ZINC000337227796 360037451 /nfs/dbraw/zinc/03/74/51/360037451.db2.gz QKDIRVUUEGSHJB-CQSZACIVSA-N 1 2 284.363 1.553 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCCO[C@@H](C)C1 ZINC000177042593 189023589 /nfs/dbraw/zinc/02/35/89/189023589.db2.gz IBLWAUAXDHLBDP-WFASDCNBSA-N 1 2 288.347 1.883 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCCO[C@@H](C)C1 ZINC000177042593 189023590 /nfs/dbraw/zinc/02/35/90/189023590.db2.gz IBLWAUAXDHLBDP-WFASDCNBSA-N 1 2 288.347 1.883 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)C[C@@H](C)C#N)CCC2 ZINC000337601715 360280462 /nfs/dbraw/zinc/28/04/62/360280462.db2.gz OHHNOEUAGMYUGY-AAEUAGOBSA-N 1 2 289.383 1.870 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCn2cnnc2C1 ZINC000130473952 360656497 /nfs/dbraw/zinc/65/64/97/360656497.db2.gz TWEQBCNVEIMUON-UHFFFAOYSA-N 1 2 269.308 1.174 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+]1CCn2cnnc2C1 ZINC000130473952 360656502 /nfs/dbraw/zinc/65/65/02/360656502.db2.gz TWEQBCNVEIMUON-UHFFFAOYSA-N 1 2 269.308 1.174 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000429570290 360858773 /nfs/dbraw/zinc/85/87/73/360858773.db2.gz OIVLOOQEQLTJTG-ORAYPTAESA-N 1 2 286.441 1.254 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000429570290 360858778 /nfs/dbraw/zinc/85/87/78/360858778.db2.gz OIVLOOQEQLTJTG-ORAYPTAESA-N 1 2 286.441 1.254 20 30 CDEDLO C=C[C@H](CC(=O)NC[C@H]1C[NH+]2CCN1CC2)c1ccccc1 ZINC000179454776 189195667 /nfs/dbraw/zinc/19/56/67/189195667.db2.gz IAWCBFPKPKTRBL-WBVHZDCISA-N 1 2 299.418 1.462 20 30 CDEDLO C#CCCCCC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000179654310 189210488 /nfs/dbraw/zinc/21/04/88/189210488.db2.gz FEPNYQBACAGHAH-UHFFFAOYSA-N 1 2 285.391 1.919 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc2nccnc21 ZINC000583567790 361005646 /nfs/dbraw/zinc/00/56/46/361005646.db2.gz MKSHEOJYDIFFSC-HNNXBMFYSA-N 1 2 283.335 1.203 20 30 CDEDLO CCN(C)C(=O)CC[N@H+](CCC#N)Cc1ccco1 ZINC000130598835 360978888 /nfs/dbraw/zinc/97/88/88/360978888.db2.gz PRHXFQWUWQFJAM-UHFFFAOYSA-N 1 2 263.341 1.864 20 30 CDEDLO CCN(C)C(=O)CC[N@@H+](CCC#N)Cc1ccco1 ZINC000130598835 360978893 /nfs/dbraw/zinc/97/88/93/360978893.db2.gz PRHXFQWUWQFJAM-UHFFFAOYSA-N 1 2 263.341 1.864 20 30 CDEDLO C=CCNC(=O)C[NH2+][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000179828852 189222591 /nfs/dbraw/zinc/22/25/91/189222591.db2.gz JSIBRKDMTAVPRV-GFCCVEGCSA-N 1 2 278.356 1.536 20 30 CDEDLO CCc1nn(C)c(OC)c1C[NH2+]Cc1ccc(C#N)o1 ZINC000180269900 189247915 /nfs/dbraw/zinc/24/79/15/189247915.db2.gz ZLFSQQXXFWGZGH-UHFFFAOYSA-N 1 2 274.324 1.746 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000432108563 361107395 /nfs/dbraw/zinc/10/73/95/361107395.db2.gz PXQUUOUMVRLPCL-UHFFFAOYSA-N 1 2 297.443 1.999 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000432108563 361107399 /nfs/dbraw/zinc/10/73/99/361107399.db2.gz PXQUUOUMVRLPCL-UHFFFAOYSA-N 1 2 297.443 1.999 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C#Cc2ccccc2)C1 ZINC000374392492 370694486 /nfs/dbraw/zinc/69/44/86/370694486.db2.gz ZXVZJUPRRQUPPN-OAHLLOKOSA-N 1 2 279.343 1.788 20 30 CDEDLO O=C(N[C@@H]1CCCOCC1)C1([NH+]2CCOCC2)CCC1 ZINC000329331040 361480733 /nfs/dbraw/zinc/48/07/33/361480733.db2.gz MEACVOZDJMZNFV-CYBMUJFWSA-N 1 2 282.384 1.767 20 30 CDEDLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCc1ccncc1C ZINC000329368901 361491833 /nfs/dbraw/zinc/49/18/33/361491833.db2.gz JIKQNLJSPDHABV-AWEZNQCLSA-N 1 2 277.368 1.610 20 30 CDEDLO CC[N@H+]1CCOC[C@H]1C(=O)NCCc1ccncc1C ZINC000329368901 361491834 /nfs/dbraw/zinc/49/18/34/361491834.db2.gz JIKQNLJSPDHABV-AWEZNQCLSA-N 1 2 277.368 1.610 20 30 CDEDLO CCN1CCOC[C@@H]1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000329400886 361500662 /nfs/dbraw/zinc/50/06/62/361500662.db2.gz VYOWHQRGRGYNFN-CHWSQXEVSA-N 1 2 292.383 1.438 20 30 CDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000448599646 361726206 /nfs/dbraw/zinc/72/62/06/361726206.db2.gz XJKJLOLMDKJNDJ-CJNGLKHVSA-N 1 2 284.363 1.276 20 30 CDEDLO N#CCC[N@@H+](CC[C@H]1CCNC1=O)Cc1ccccn1 ZINC000570823075 364015293 /nfs/dbraw/zinc/01/52/93/364015293.db2.gz HNUYRYNDXOCPTL-CYBMUJFWSA-N 1 2 272.352 1.323 20 30 CDEDLO N#CCC[N@H+](CC[C@H]1CCNC1=O)Cc1ccccn1 ZINC000570823075 364015299 /nfs/dbraw/zinc/01/52/99/364015299.db2.gz HNUYRYNDXOCPTL-CYBMUJFWSA-N 1 2 272.352 1.323 20 30 CDEDLO C[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)C(C)(F)F ZINC000581370195 363988078 /nfs/dbraw/zinc/98/80/78/363988078.db2.gz MIPFUAWGMFCTAM-MRVPVSSYSA-N 1 2 265.267 1.734 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000374635738 370738285 /nfs/dbraw/zinc/73/82/85/370738285.db2.gz JCJZDDPDWUDQHY-WISYIIOYSA-N 1 2 273.760 1.922 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000374635738 370738291 /nfs/dbraw/zinc/73/82/91/370738291.db2.gz JCJZDDPDWUDQHY-WISYIIOYSA-N 1 2 273.760 1.922 20 30 CDEDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC000042422117 364584759 /nfs/dbraw/zinc/58/47/59/364584759.db2.gz QTBGJGMIDCURDG-CQSZACIVSA-N 1 2 257.337 1.659 20 30 CDEDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC000042422117 364584762 /nfs/dbraw/zinc/58/47/62/364584762.db2.gz QTBGJGMIDCURDG-CQSZACIVSA-N 1 2 257.337 1.659 20 30 CDEDLO CN(CC(=O)NCc1ccc(C#N)cc1)Cc1[nH+]ccn1C ZINC000271053917 366963276 /nfs/dbraw/zinc/96/32/76/366963276.db2.gz YMXFKRQIBGGKGN-UHFFFAOYSA-N 1 2 297.362 1.040 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000639841393 367018761 /nfs/dbraw/zinc/01/87/61/367018761.db2.gz UJTRNRPUZCKCOH-CQSZACIVSA-N 1 2 286.379 1.814 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000639841393 367018763 /nfs/dbraw/zinc/01/87/63/367018763.db2.gz UJTRNRPUZCKCOH-CQSZACIVSA-N 1 2 286.379 1.814 20 30 CDEDLO N#C[C@H]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000564203178 368267657 /nfs/dbraw/zinc/26/76/57/368267657.db2.gz MPTJBUJXDOMEKN-WDEREUQCSA-N 1 2 282.307 1.084 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)[C@H](C)Oc2cccc(C)c2)CC1 ZINC000128385555 368416046 /nfs/dbraw/zinc/41/60/46/368416046.db2.gz GNFQIRTXRRMZGG-HNNXBMFYSA-N 1 2 286.375 1.540 20 30 CDEDLO Cc1cc(F)ccc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000573597961 371594185 /nfs/dbraw/zinc/59/41/85/371594185.db2.gz YVLBLPPJJBDWJM-CYBMUJFWSA-N 1 2 265.332 1.752 20 30 CDEDLO Cc1cc(F)ccc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000573597961 371594191 /nfs/dbraw/zinc/59/41/91/371594191.db2.gz YVLBLPPJJBDWJM-CYBMUJFWSA-N 1 2 265.332 1.752 20 30 CDEDLO Cc1cc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)n(CCC#N)n1 ZINC000573623012 371603406 /nfs/dbraw/zinc/60/34/06/371603406.db2.gz GUOQCNSNVQIWAJ-GFCCVEGCSA-N 1 2 275.356 1.384 20 30 CDEDLO Cc1ncsc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000573629035 371604214 /nfs/dbraw/zinc/60/42/14/371604214.db2.gz KTKLTTPLAVLXLQ-LLVKDONJSA-N 1 2 252.343 1.025 20 30 CDEDLO CCc1nn(C)c(OC)c1C[NH2+]C[C@H](C#N)CCC#N ZINC000573975611 371691452 /nfs/dbraw/zinc/69/14/52/371691452.db2.gz COXRUTIPDNEVAK-NSHDSACASA-N 1 2 275.356 1.524 20 30 CDEDLO CN1CC[N@H+](C)C[C@H]1c1noc(CC(C)(C)C#N)n1 ZINC000350044760 372277496 /nfs/dbraw/zinc/27/74/96/372277496.db2.gz FXAYBYHGEMFXQA-JTQLQIEISA-N 1 2 263.345 1.080 20 30 CDEDLO CN1CC[N@@H+](C)C[C@H]1c1noc(CC(C)(C)C#N)n1 ZINC000350044760 372277499 /nfs/dbraw/zinc/27/74/99/372277499.db2.gz FXAYBYHGEMFXQA-JTQLQIEISA-N 1 2 263.345 1.080 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181321460 372571042 /nfs/dbraw/zinc/57/10/42/372571042.db2.gz JVPUKNRKRJZFOL-QWRGUYRKSA-N 1 2 296.333 1.655 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181321460 372571045 /nfs/dbraw/zinc/57/10/45/372571045.db2.gz JVPUKNRKRJZFOL-QWRGUYRKSA-N 1 2 296.333 1.655 20 30 CDEDLO C=CCCCC(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000175872930 372717957 /nfs/dbraw/zinc/71/79/57/372717957.db2.gz RVSRFNPENQUUNL-LBPRGKRZSA-N 1 2 281.425 1.978 20 30 CDEDLO N#Cc1ccc(C[NH2+]Cc2nnnn2C2CC2)cc1 ZINC000610271815 373047737 /nfs/dbraw/zinc/04/77/37/373047737.db2.gz FHOVWGCQCOYDAV-UHFFFAOYSA-N 1 2 254.297 1.169 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccnn1C ZINC000348360415 373118831 /nfs/dbraw/zinc/11/88/31/373118831.db2.gz DSEMKSQYGNSFHM-LBPRGKRZSA-N 1 2 297.362 1.751 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccnn1C ZINC000348360415 373118835 /nfs/dbraw/zinc/11/88/35/373118835.db2.gz DSEMKSQYGNSFHM-LBPRGKRZSA-N 1 2 297.362 1.751 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1c[nH]nc1C ZINC000639969219 373884053 /nfs/dbraw/zinc/88/40/53/373884053.db2.gz VOOATRBVEFTKEJ-UHFFFAOYSA-N 1 2 264.373 1.575 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1c[nH]nc1C ZINC000639969219 373884056 /nfs/dbraw/zinc/88/40/56/373884056.db2.gz VOOATRBVEFTKEJ-UHFFFAOYSA-N 1 2 264.373 1.575 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3ccnc(C#N)c3)CC2)on1 ZINC000299669459 373920857 /nfs/dbraw/zinc/92/08/57/373920857.db2.gz OXNVQLVKAUDQDM-UHFFFAOYSA-N 1 2 283.335 1.572 20 30 CDEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccsc2)C(N)=O)cc1 ZINC000360068306 373999348 /nfs/dbraw/zinc/99/93/48/373999348.db2.gz HEQPVMPQYRANFV-CYBMUJFWSA-N 1 2 271.345 1.936 20 30 CDEDLO CSCC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000123132528 373981405 /nfs/dbraw/zinc/98/14/05/373981405.db2.gz XPOLFDHLFOSFMV-UHFFFAOYSA-N 1 2 298.433 1.627 20 30 CDEDLO CSCC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000123132528 373981408 /nfs/dbraw/zinc/98/14/08/373981408.db2.gz XPOLFDHLFOSFMV-UHFFFAOYSA-N 1 2 298.433 1.627 20 30 CDEDLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1O ZINC000351812901 374278329 /nfs/dbraw/zinc/27/83/29/374278329.db2.gz FJNLMUGHDUYXSX-ADEWGFFLSA-N 1 2 291.376 1.038 20 30 CDEDLO C[C@@H]1C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1O ZINC000351812901 374278336 /nfs/dbraw/zinc/27/83/36/374278336.db2.gz FJNLMUGHDUYXSX-ADEWGFFLSA-N 1 2 291.376 1.038 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)s1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292854738 374318115 /nfs/dbraw/zinc/31/81/15/374318115.db2.gz UOQYAJPQIJTMEP-JTQLQIEISA-N 1 2 299.421 1.085 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292854738 374318119 /nfs/dbraw/zinc/31/81/19/374318119.db2.gz UOQYAJPQIJTMEP-JTQLQIEISA-N 1 2 299.421 1.085 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368972351 374339344 /nfs/dbraw/zinc/33/93/44/374339344.db2.gz FBABNYJXQRSSOJ-GLQYFDAESA-N 1 2 287.338 1.783 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368972351 374339354 /nfs/dbraw/zinc/33/93/54/374339354.db2.gz FBABNYJXQRSSOJ-GLQYFDAESA-N 1 2 287.338 1.783 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1COC[C@@H]1O ZINC000352802595 374361050 /nfs/dbraw/zinc/36/10/50/374361050.db2.gz MBBRDVATHROEFI-OLZOCXBDSA-N 1 2 266.728 1.403 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1COC[C@@H]1O ZINC000352802595 374361056 /nfs/dbraw/zinc/36/10/56/374361056.db2.gz MBBRDVATHROEFI-OLZOCXBDSA-N 1 2 266.728 1.403 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)ccc1F ZINC000160761679 374418037 /nfs/dbraw/zinc/41/80/37/374418037.db2.gz YWZAZVPYIQYLRS-HNNXBMFYSA-N 1 2 287.338 1.940 20 30 CDEDLO N#Cc1cc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)ccc1F ZINC000160761679 374418043 /nfs/dbraw/zinc/41/80/43/374418043.db2.gz YWZAZVPYIQYLRS-HNNXBMFYSA-N 1 2 287.338 1.940 20 30 CDEDLO Cc1ccc(C#N)c(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)n1 ZINC000375657145 374507463 /nfs/dbraw/zinc/50/74/63/374507463.db2.gz LAYMOCZKXBJKPT-AWEZNQCLSA-N 1 2 297.362 1.935 20 30 CDEDLO COc1ccnc(C[NH2+]Cc2ccc(C#N)c(C)c2)n1 ZINC000424192908 246379884 /nfs/dbraw/zinc/37/98/84/246379884.db2.gz UADCXXAHEVTIMZ-UHFFFAOYSA-N 1 2 268.320 1.955 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[S@](=O)C[C@@H](C)C2)cc1C#N ZINC000277326924 374782679 /nfs/dbraw/zinc/78/26/79/374782679.db2.gz CKOVQDGJHGMYCB-YUNKPMOVSA-N 1 2 292.404 1.767 20 30 CDEDLO COc1ccc(C[N@H+]2CC[S@](=O)C[C@@H](C)C2)cc1C#N ZINC000277326924 374782681 /nfs/dbraw/zinc/78/26/81/374782681.db2.gz CKOVQDGJHGMYCB-YUNKPMOVSA-N 1 2 292.404 1.767 20 30 CDEDLO Cc1ccc2[nH+]c(CNC(=O)NCC3(C#N)CC3)cn2c1 ZINC000574557837 335029400 /nfs/dbraw/zinc/02/94/00/335029400.db2.gz PEJXOJIYKIHYLN-UHFFFAOYSA-N 1 2 283.335 1.746 20 30 CDEDLO CNc1ccc(C#N)cc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000332619275 375039376 /nfs/dbraw/zinc/03/93/76/375039376.db2.gz NLFVJNFQXUPTLP-GFCCVEGCSA-N 1 2 295.346 1.998 20 30 CDEDLO C=CCNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000047605241 375231448 /nfs/dbraw/zinc/23/14/48/375231448.db2.gz SOFYKUMXNGQZGG-LBPRGKRZSA-N 1 2 290.367 1.292 20 30 CDEDLO C=CCCS(=O)(=O)NCCc1cn2ccccc2[nH+]1 ZINC000130122294 375264201 /nfs/dbraw/zinc/26/42/01/375264201.db2.gz AIVNISWWZNMVBD-UHFFFAOYSA-N 1 2 279.365 1.372 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccoc1 ZINC000049068105 375397312 /nfs/dbraw/zinc/39/73/12/375397312.db2.gz NCURUBSHFOIPKO-AWEZNQCLSA-N 1 2 263.341 1.766 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccoc1 ZINC000049068105 375397315 /nfs/dbraw/zinc/39/73/15/375397315.db2.gz NCURUBSHFOIPKO-AWEZNQCLSA-N 1 2 263.341 1.766 20 30 CDEDLO N#Cc1ccccc1OCC[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000132601455 375534617 /nfs/dbraw/zinc/53/46/17/375534617.db2.gz JQVOLPQPLAWEPO-CABCVRRESA-N 1 2 299.374 1.680 20 30 CDEDLO N#Cc1ccccc1OCC[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000132601455 375534620 /nfs/dbraw/zinc/53/46/20/375534620.db2.gz JQVOLPQPLAWEPO-CABCVRRESA-N 1 2 299.374 1.680 20 30 CDEDLO N#CCc1ccccc1C(=O)NCCCn1cc[nH+]c1 ZINC000058242072 375703002 /nfs/dbraw/zinc/70/30/02/375703002.db2.gz GWHSGJRRMAAHRC-UHFFFAOYSA-N 1 2 268.320 1.769 20 30 CDEDLO Cc1cc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)ccc1C#N ZINC000496133620 375716457 /nfs/dbraw/zinc/71/64/57/375716457.db2.gz NSMCSRLXSAUZBZ-CQSZACIVSA-N 1 2 271.320 1.503 20 30 CDEDLO Cc1cc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)ccc1C#N ZINC000496133620 375716463 /nfs/dbraw/zinc/71/64/63/375716463.db2.gz NSMCSRLXSAUZBZ-CQSZACIVSA-N 1 2 271.320 1.503 20 30 CDEDLO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000353638173 375738715 /nfs/dbraw/zinc/73/87/15/375738715.db2.gz RHMKMQCRHMRNQC-NSHDSACASA-N 1 2 298.433 1.876 20 30 CDEDLO CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000353638173 375738716 /nfs/dbraw/zinc/73/87/16/375738716.db2.gz RHMKMQCRHMRNQC-NSHDSACASA-N 1 2 298.433 1.876 20 30 CDEDLO C=CCCn1cc(C[NH+]2CC([C@@H]3CCOC3)C2)nn1 ZINC000668092293 483064220 /nfs/dbraw/zinc/06/42/20/483064220.db2.gz AZZIXQDTWPHBCP-GFCCVEGCSA-N 1 2 262.357 1.323 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)CCS1 ZINC000134344404 375959224 /nfs/dbraw/zinc/95/92/24/375959224.db2.gz DVFGYVUWLUYMLI-LLVKDONJSA-N 1 2 275.377 1.934 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)CCS1 ZINC000134344404 375959228 /nfs/dbraw/zinc/95/92/28/375959228.db2.gz DVFGYVUWLUYMLI-LLVKDONJSA-N 1 2 275.377 1.934 20 30 CDEDLO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1CF)C(=O)N1CCCCC1 ZINC000328779720 375967770 /nfs/dbraw/zinc/96/77/70/375967770.db2.gz FAHWLVBXIRASNP-QWHCGFSZSA-N 1 2 299.390 1.778 20 30 CDEDLO C[C@H](NC(=O)C[N@H+]1CCC[C@@H]1CF)C(=O)N1CCCCC1 ZINC000328779720 375967772 /nfs/dbraw/zinc/96/77/72/375967772.db2.gz FAHWLVBXIRASNP-QWHCGFSZSA-N 1 2 299.390 1.778 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)C[C@@H]1CCCCO1 ZINC000328803789 375976777 /nfs/dbraw/zinc/97/67/77/375976777.db2.gz HDVMBDYHPZFCLS-KGLIPLIRSA-N 1 2 299.415 1.122 20 30 CDEDLO CO[C@@]1(CNC(=O)CCc2c[nH+]cn2C)CCOC1 ZINC000328873614 375995603 /nfs/dbraw/zinc/99/56/03/375995603.db2.gz YWWUGFVJIBJOJY-CYBMUJFWSA-N 1 2 267.329 1.115 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@H]1CCCCO1 ZINC000328944179 376015869 /nfs/dbraw/zinc/01/58/69/376015869.db2.gz UQYSSKBFJZXKTO-CYBMUJFWSA-N 1 2 299.415 1.170 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)NC[C@H]1CCCCO1 ZINC000328944179 376015873 /nfs/dbraw/zinc/01/58/73/376015873.db2.gz UQYSSKBFJZXKTO-CYBMUJFWSA-N 1 2 299.415 1.170 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCCO1 ZINC000328944180 376016008 /nfs/dbraw/zinc/01/60/08/376016008.db2.gz UQYSSKBFJZXKTO-ZDUSSCGKSA-N 1 2 299.415 1.170 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)NC[C@@H]1CCCCO1 ZINC000328944180 376016011 /nfs/dbraw/zinc/01/60/11/376016011.db2.gz UQYSSKBFJZXKTO-ZDUSSCGKSA-N 1 2 299.415 1.170 20 30 CDEDLO C[C@H](CC#N)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000330467967 376141984 /nfs/dbraw/zinc/14/19/84/376141984.db2.gz YKHMQZNXSUUAQX-SECBINFHSA-N 1 2 259.300 1.382 20 30 CDEDLO CCn1cc[nH+]c1CNC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000295882980 376730977 /nfs/dbraw/zinc/73/09/77/376730977.db2.gz YOIQNPWUDNAPKT-LBPRGKRZSA-N 1 2 298.346 1.858 20 30 CDEDLO C#CC[NH+]1CCN(c2nc(-c3ccccc3)ns2)CC1 ZINC000130909784 377638441 /nfs/dbraw/zinc/63/84/41/377638441.db2.gz LCRGLUBYHRUQEL-UHFFFAOYSA-N 1 2 284.388 1.960 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000132538955 377738294 /nfs/dbraw/zinc/73/82/94/377738294.db2.gz SOPZABIHPYQLAI-HNNXBMFYSA-N 1 2 274.339 1.730 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000132538955 377738298 /nfs/dbraw/zinc/73/82/98/377738298.db2.gz SOPZABIHPYQLAI-HNNXBMFYSA-N 1 2 274.339 1.730 20 30 CDEDLO Cc1cccc(C)c1OC[C@H](O)C[N@H+](C)CCC#N ZINC000078320871 377760667 /nfs/dbraw/zinc/76/06/67/377760667.db2.gz DKAIQBSVIWGYAS-CQSZACIVSA-N 1 2 262.353 1.889 20 30 CDEDLO Cc1cccc(C)c1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000078320871 377760676 /nfs/dbraw/zinc/76/06/76/377760676.db2.gz DKAIQBSVIWGYAS-CQSZACIVSA-N 1 2 262.353 1.889 20 30 CDEDLO C=C(C)C[N@@H+](C)[C@@H](C)c1nc(N)nc(N(C)C)n1 ZINC000181249809 377947448 /nfs/dbraw/zinc/94/74/48/377947448.db2.gz VJFSUJQBIKMXBU-VIFPVBQESA-N 1 2 250.350 1.089 20 30 CDEDLO C=C(C)C[N@H+](C)[C@@H](C)c1nc(N)nc(N(C)C)n1 ZINC000181249809 377947452 /nfs/dbraw/zinc/94/74/52/377947452.db2.gz VJFSUJQBIKMXBU-VIFPVBQESA-N 1 2 250.350 1.089 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cc(OC)c(OC)c(OC)c1 ZINC000093475563 378078592 /nfs/dbraw/zinc/07/85/92/378078592.db2.gz BUYUSIMIVAFQIJ-UHFFFAOYSA-N 1 2 273.332 1.781 20 30 CDEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)CC1OCCO1 ZINC000182102181 378021275 /nfs/dbraw/zinc/02/12/75/378021275.db2.gz RSXWCUVMLKBNEA-UHFFFAOYSA-N 1 2 258.321 1.919 20 30 CDEDLO C=CC[N@H+](Cc1cccc(C#N)c1)CC1OCCO1 ZINC000182102181 378021282 /nfs/dbraw/zinc/02/12/82/378021282.db2.gz RSXWCUVMLKBNEA-UHFFFAOYSA-N 1 2 258.321 1.919 20 30 CDEDLO C#CC[N@H+](C)CCCS(=O)(=O)c1ccccc1 ZINC000192225424 378179083 /nfs/dbraw/zinc/17/90/83/378179083.db2.gz MCHRXMAOPUWDSI-UHFFFAOYSA-N 1 2 251.351 1.415 20 30 CDEDLO C#CC[N@@H+](C)CCCS(=O)(=O)c1ccccc1 ZINC000192225424 378179088 /nfs/dbraw/zinc/17/90/88/378179088.db2.gz MCHRXMAOPUWDSI-UHFFFAOYSA-N 1 2 251.351 1.415 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000136109583 378312843 /nfs/dbraw/zinc/31/28/43/378312843.db2.gz NPEGFLWWUNAODD-UHFFFAOYSA-N 1 2 297.314 1.159 20 30 CDEDLO COc1ccc(OC)c(C[N@H+](CCO)CC2(C#N)CC2)c1 ZINC000343324255 378479867 /nfs/dbraw/zinc/47/98/67/378479867.db2.gz WHXBPCJRRQMMIP-UHFFFAOYSA-N 1 2 290.363 1.802 20 30 CDEDLO COc1ccc(OC)c(C[N@@H+](CCO)CC2(C#N)CC2)c1 ZINC000343324255 378479871 /nfs/dbraw/zinc/47/98/71/378479871.db2.gz WHXBPCJRRQMMIP-UHFFFAOYSA-N 1 2 290.363 1.802 20 30 CDEDLO O=C(C#Cc1ccc2c(c1)OCO2)N1CCn2c[nH+]cc2C1 ZINC000292135735 378491262 /nfs/dbraw/zinc/49/12/62/378491262.db2.gz SYMFJFQKLLHTNT-UHFFFAOYSA-N 1 2 295.298 1.006 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCc1ccc(COCC)cc1 ZINC000293196431 378561187 /nfs/dbraw/zinc/56/11/87/378561187.db2.gz QNDJWNJJUDUXFL-UHFFFAOYSA-N 1 2 288.391 1.794 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCc1ccc(COCC)cc1 ZINC000293196431 378561193 /nfs/dbraw/zinc/56/11/93/378561193.db2.gz QNDJWNJJUDUXFL-UHFFFAOYSA-N 1 2 288.391 1.794 20 30 CDEDLO C=CCCCS(=O)(=O)NCc1[nH+]ccn1CC ZINC000295260858 378676355 /nfs/dbraw/zinc/67/63/55/378676355.db2.gz DEVQBNGJWHZJOA-UHFFFAOYSA-N 1 2 257.359 1.289 20 30 CDEDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(CCC#N)CC2)C1 ZINC000066566542 378681818 /nfs/dbraw/zinc/68/18/18/378681818.db2.gz KFNUKHDOHJPLQB-LSDHHAIUSA-N 1 2 292.427 1.213 20 30 CDEDLO C=CCOCC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343347144 378755343 /nfs/dbraw/zinc/75/53/43/378755343.db2.gz UMXUFILUXPXVGJ-UHFFFAOYSA-N 1 2 272.308 1.468 20 30 CDEDLO C#CCC(C)(C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000185933799 378829218 /nfs/dbraw/zinc/82/92/18/378829218.db2.gz WSLREOWIWBOHMK-ZDUSSCGKSA-N 1 2 271.364 1.826 20 30 CDEDLO C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000334561594 379090795 /nfs/dbraw/zinc/09/07/95/379090795.db2.gz VAEWUMCSZGFXSR-ZDUSSCGKSA-N 1 2 298.346 1.840 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000450211328 251176108 /nfs/dbraw/zinc/17/61/08/251176108.db2.gz PGXLCGWJPRXHTR-GFCCVEGCSA-N 1 2 295.346 1.599 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)CCC(=O)C(C)C)n1 ZINC000289357467 197309636 /nfs/dbraw/zinc/30/96/36/197309636.db2.gz GWNLPGFLYYWVBV-UHFFFAOYSA-N 1 2 261.369 1.953 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)CCC(=O)C(C)C)n1 ZINC000289357467 197309637 /nfs/dbraw/zinc/30/96/37/197309637.db2.gz GWNLPGFLYYWVBV-UHFFFAOYSA-N 1 2 261.369 1.953 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000280857231 195004530 /nfs/dbraw/zinc/00/45/30/195004530.db2.gz YZAPMIUKPPCZQL-UHFFFAOYSA-N 1 2 291.351 1.300 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000280857231 195004531 /nfs/dbraw/zinc/00/45/31/195004531.db2.gz YZAPMIUKPPCZQL-UHFFFAOYSA-N 1 2 291.351 1.300 20 30 CDEDLO C[C@@H](C(=O)NCc1noc(C2CC2)n1)[NH+]1CCSCC1 ZINC000329048987 533099092 /nfs/dbraw/zinc/09/90/92/533099092.db2.gz VXFMAJCNPVBFLE-VIFPVBQESA-N 1 2 296.396 1.841 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1sccc1C(=O)OCC ZINC000192229633 533098987 /nfs/dbraw/zinc/09/89/87/533098987.db2.gz TZZHVZPDGUSJPY-UHFFFAOYSA-N 1 2 280.349 1.428 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1sccc1C(=O)OCC ZINC000192229633 533098990 /nfs/dbraw/zinc/09/89/90/533098990.db2.gz TZZHVZPDGUSJPY-UHFFFAOYSA-N 1 2 280.349 1.428 20 30 CDEDLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCCCNC1=O ZINC000329235524 227370361 /nfs/dbraw/zinc/37/03/61/227370361.db2.gz IQWZWCLZNVNRJY-SECBINFHSA-N 1 2 250.302 1.808 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000364493600 262252529 /nfs/dbraw/zinc/25/25/29/262252529.db2.gz PYSBVQYVRBMXCD-UHFFFAOYSA-N 1 2 279.771 1.982 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000364493600 262252530 /nfs/dbraw/zinc/25/25/30/262252530.db2.gz PYSBVQYVRBMXCD-UHFFFAOYSA-N 1 2 279.771 1.982 20 30 CDEDLO C=C[C@@H](O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000646946938 390310674 /nfs/dbraw/zinc/31/06/74/390310674.db2.gz DZZMNCJYNMAXHG-CYBMUJFWSA-N 1 2 271.320 1.936 20 30 CDEDLO C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000177724286 390442137 /nfs/dbraw/zinc/44/21/37/390442137.db2.gz OOVWXJXFVBFNIN-FZMZJTMJSA-N 1 2 283.335 1.806 20 30 CDEDLO Cc1nnc(N2CCn3cc[nH+]c3C2)c(C#N)c1C ZINC000060394321 390584190 /nfs/dbraw/zinc/58/41/90/390584190.db2.gz XTXDDORJDGTTSZ-UHFFFAOYSA-N 1 2 254.297 1.182 20 30 CDEDLO COCC[N@H+](Cc1nc(C#N)cs1)[C@H]1CCO[C@@H]1C ZINC000419305679 390564400 /nfs/dbraw/zinc/56/44/00/390564400.db2.gz LPMVGWWAHWRPIK-PWSUYJOCSA-N 1 2 281.381 1.641 20 30 CDEDLO COCC[N@@H+](Cc1nc(C#N)cs1)[C@H]1CCO[C@@H]1C ZINC000419305679 390564405 /nfs/dbraw/zinc/56/44/05/390564405.db2.gz LPMVGWWAHWRPIK-PWSUYJOCSA-N 1 2 281.381 1.641 20 30 CDEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc(C#N)[nH]c2C)CCO1 ZINC000451237376 390605934 /nfs/dbraw/zinc/60/59/34/390605934.db2.gz BDFKZCHIFVTKSK-CYBMUJFWSA-N 1 2 290.367 1.035 20 30 CDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc(C#N)[nH]c2C)CCO1 ZINC000451237376 390605937 /nfs/dbraw/zinc/60/59/37/390605937.db2.gz BDFKZCHIFVTKSK-CYBMUJFWSA-N 1 2 290.367 1.035 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(C#N)c(O)c1 ZINC000188687709 390665429 /nfs/dbraw/zinc/66/54/29/390665429.db2.gz AOGVQVIAUOKYEB-UHFFFAOYSA-N 1 2 284.319 1.623 20 30 CDEDLO C#CCC(C)(C)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376172074 390839932 /nfs/dbraw/zinc/83/99/32/390839932.db2.gz LTNFUQZWXPBVRI-ZIAGYGMSSA-N 1 2 278.396 1.358 20 30 CDEDLO NC(CCO)=[NH+]OCc1ccc(C(F)(F)F)cc1 ZINC000136068724 390940907 /nfs/dbraw/zinc/94/09/07/390940907.db2.gz WMCNFFMYVBVASO-UHFFFAOYSA-N 1 2 262.231 1.877 20 30 CDEDLO NC(CCO)=[NH+]OCc1noc(C2CCCCC2)n1 ZINC000121400168 390885191 /nfs/dbraw/zinc/88/51/91/390885191.db2.gz PBQFLRGRXURORZ-UHFFFAOYSA-N 1 2 268.317 1.289 20 30 CDEDLO O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1CCn2c[nH+]cc2C1 ZINC000329553879 391012657 /nfs/dbraw/zinc/01/26/57/391012657.db2.gz BCYQXDOPPKAOPU-CHWSQXEVSA-N 1 2 276.340 1.180 20 30 CDEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cccc(-c3c[nH]nn3)c2)C1 ZINC000329557117 391013915 /nfs/dbraw/zinc/01/39/15/391013915.db2.gz FBBCSJXSTJZOLR-CYBMUJFWSA-N 1 2 287.323 1.390 20 30 CDEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2cccc(-c3c[nH]nn3)c2)C1 ZINC000329557117 391013917 /nfs/dbraw/zinc/01/39/17/391013917.db2.gz FBBCSJXSTJZOLR-CYBMUJFWSA-N 1 2 287.323 1.390 20 30 CDEDLO Cc1[nH+]ccn1CCCCNC(=O)c1ccc(C#N)c(O)c1 ZINC000188553535 390967288 /nfs/dbraw/zinc/96/72/88/390967288.db2.gz HLMDXFIZDIPECX-UHFFFAOYSA-N 1 2 298.346 1.979 20 30 CDEDLO C[C@H](NC(=O)N(C)Cc1[nH+]ccn1C)[C@H]1CCCOC1 ZINC000329478479 390995559 /nfs/dbraw/zinc/99/55/59/390995559.db2.gz CHSJVPSMVVGVAY-RYUDHWBXSA-N 1 2 280.372 1.581 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000294805068 391052074 /nfs/dbraw/zinc/05/20/74/391052074.db2.gz UQHYRYQIRKIACE-NWDGAFQWSA-N 1 2 261.325 1.502 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+](C)Cc1nc([C@@H](C)OCC)no1 ZINC000351269204 391061318 /nfs/dbraw/zinc/06/13/18/391061318.db2.gz LMEINCZGTYXAHJ-VXGBXAGGSA-N 1 2 283.372 1.926 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+](C)Cc1nc([C@@H](C)OCC)no1 ZINC000351269204 391061321 /nfs/dbraw/zinc/06/13/21/391061321.db2.gz LMEINCZGTYXAHJ-VXGBXAGGSA-N 1 2 283.372 1.926 20 30 CDEDLO CC1=CC[N@H+](CCNCc2nc(C#N)cs2)CC1 ZINC000574242560 391117622 /nfs/dbraw/zinc/11/76/22/391117622.db2.gz AVQMEQLBCYDTDR-UHFFFAOYSA-N 1 2 262.382 1.756 20 30 CDEDLO CC1=CC[N@@H+](CCNCc2nc(C#N)cs2)CC1 ZINC000574242560 391117624 /nfs/dbraw/zinc/11/76/24/391117624.db2.gz AVQMEQLBCYDTDR-UHFFFAOYSA-N 1 2 262.382 1.756 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000373403509 391118806 /nfs/dbraw/zinc/11/88/06/391118806.db2.gz OPVYNCSBPZDORJ-ZBFHGGJFSA-N 1 2 294.395 1.067 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000373403509 391118809 /nfs/dbraw/zinc/11/88/09/391118809.db2.gz OPVYNCSBPZDORJ-ZBFHGGJFSA-N 1 2 294.395 1.067 20 30 CDEDLO CCCc1nc(CO[NH+]=C(N)c2cccc(OC)c2)no1 ZINC000174214168 391118852 /nfs/dbraw/zinc/11/88/52/391118852.db2.gz KODRTTSMRMXFNR-UHFFFAOYSA-N 1 2 290.323 1.868 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2CC)CC1 ZINC000491426227 391123028 /nfs/dbraw/zinc/12/30/28/391123028.db2.gz FMTRZGKIBIKBKS-CYBMUJFWSA-N 1 2 275.400 1.567 20 30 CDEDLO C[C@@H](C#N)S(=O)(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000352413766 391128006 /nfs/dbraw/zinc/12/80/06/391128006.db2.gz QONGOAMOIGDPGG-NSHDSACASA-N 1 2 294.380 1.013 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCOc2c(F)cccc2C1 ZINC000373829703 391134381 /nfs/dbraw/zinc/13/43/81/391134381.db2.gz VJLMHJJDJGPZCK-LLVKDONJSA-N 1 2 276.311 1.158 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCOc2c(F)cccc2C1 ZINC000373829703 391134384 /nfs/dbraw/zinc/13/43/84/391134384.db2.gz VJLMHJJDJGPZCK-LLVKDONJSA-N 1 2 276.311 1.158 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCOc2c(F)cccc2C1 ZINC000373829704 391134543 /nfs/dbraw/zinc/13/45/43/391134543.db2.gz VJLMHJJDJGPZCK-NSHDSACASA-N 1 2 276.311 1.158 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCOc2c(F)cccc2C1 ZINC000373829704 391134544 /nfs/dbraw/zinc/13/45/44/391134544.db2.gz VJLMHJJDJGPZCK-NSHDSACASA-N 1 2 276.311 1.158 20 30 CDEDLO COC(=O)c1coc(CO[NH+]=C(N)[C@@H](C)OCC(C)C)c1 ZINC000266225238 391172653 /nfs/dbraw/zinc/17/26/53/391172653.db2.gz SJPYDJLRTCUMLW-SNVBAGLBSA-N 1 2 298.339 1.916 20 30 CDEDLO C#CCNC(=O)[C@@H](C)O[NH+]=C(N)Cc1ccccc1Cl ZINC000178148472 391182031 /nfs/dbraw/zinc/18/20/31/391182031.db2.gz RMMAIBKAJYXTKF-SNVBAGLBSA-N 1 2 293.754 1.309 20 30 CDEDLO COC[C@H](C)O[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000178308806 391184410 /nfs/dbraw/zinc/18/44/10/391184410.db2.gz ZIJRNZKSMAJPEQ-LBPRGKRZSA-N 1 2 292.383 1.744 20 30 CDEDLO C#CC[N@H+](Cc1ccc(C#C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000491696464 391217441 /nfs/dbraw/zinc/21/74/41/391217441.db2.gz FGHURLUGGUMIPO-INIZCTEOSA-N 1 2 287.384 1.290 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(C#C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000491696464 391217446 /nfs/dbraw/zinc/21/74/46/391217446.db2.gz FGHURLUGGUMIPO-INIZCTEOSA-N 1 2 287.384 1.290 20 30 CDEDLO C=C(C)CN(C)C(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000339354259 391290139 /nfs/dbraw/zinc/29/01/39/391290139.db2.gz LGUVWYMOBPFPOL-GFCCVEGCSA-N 1 2 250.346 1.057 20 30 CDEDLO C=C(C)CN(C)c1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000302049882 391292494 /nfs/dbraw/zinc/29/24/94/391292494.db2.gz OOFZURQZADMQGG-ZDUSSCGKSA-N 1 2 276.384 1.698 20 30 CDEDLO C=C(C)CN(C)c1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000302049882 391292499 /nfs/dbraw/zinc/29/24/99/391292499.db2.gz OOFZURQZADMQGG-ZDUSSCGKSA-N 1 2 276.384 1.698 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000345598977 391294226 /nfs/dbraw/zinc/29/42/26/391294226.db2.gz CNNBLMDQRCSHGQ-GJZGRUSLSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)COCCNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000339541641 391313642 /nfs/dbraw/zinc/31/36/42/391313642.db2.gz ASKCXLJUFTWGFB-ZDUSSCGKSA-N 1 2 292.383 1.512 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N[C@H](C)Cc1ccccc1C ZINC000339754222 391348512 /nfs/dbraw/zinc/34/85/12/391348512.db2.gz NQKNJJDJZHUXPL-OAHLLOKOSA-N 1 2 272.392 1.997 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N[C@H](C)Cc1ccccc1C ZINC000339754222 391348514 /nfs/dbraw/zinc/34/85/14/391348514.db2.gz NQKNJJDJZHUXPL-OAHLLOKOSA-N 1 2 272.392 1.997 20 30 CDEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)CC#N)on1 ZINC000332606534 533632345 /nfs/dbraw/zinc/63/23/45/533632345.db2.gz CATNMAYSCYWUIQ-RYUDHWBXSA-N 1 2 266.320 1.351 20 30 CDEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)CC#N)on1 ZINC000332606534 533632350 /nfs/dbraw/zinc/63/23/50/533632350.db2.gz CATNMAYSCYWUIQ-RYUDHWBXSA-N 1 2 266.320 1.351 20 30 CDEDLO C=C(C)CN(CC)C(=O)CN1CCc2[nH+]c[nH]c2C1 ZINC000647934018 391369944 /nfs/dbraw/zinc/36/99/44/391369944.db2.gz WJBTWGWQGCFIPS-UHFFFAOYSA-N 1 2 262.357 1.192 20 30 CDEDLO CCn1cc[nH+]c1[C@H]1CCCCN1CC(=O)NCC#N ZINC000330442666 391432986 /nfs/dbraw/zinc/43/29/86/391432986.db2.gz FLHKMQXRJYELHN-GFCCVEGCSA-N 1 2 275.356 1.070 20 30 CDEDLO N#CCSCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330498999 391437148 /nfs/dbraw/zinc/43/71/48/391437148.db2.gz FQSWJDJNKPSQSK-SNVBAGLBSA-N 1 2 264.354 1.372 20 30 CDEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000191097546 391445766 /nfs/dbraw/zinc/44/57/66/391445766.db2.gz JIILXMKNIZAAMF-UHFFFAOYSA-N 1 2 291.351 1.841 20 30 CDEDLO C=CC[N@H+](CCOC)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000191097546 391445768 /nfs/dbraw/zinc/44/57/68/391445768.db2.gz JIILXMKNIZAAMF-UHFFFAOYSA-N 1 2 291.351 1.841 20 30 CDEDLO COCc1nc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cs1 ZINC000330613630 391447768 /nfs/dbraw/zinc/44/77/68/391447768.db2.gz AEEFXEOWDVFXTI-JTQLQIEISA-N 1 2 299.396 1.315 20 30 CDEDLO COCc1nc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cs1 ZINC000330613630 391447771 /nfs/dbraw/zinc/44/77/71/391447771.db2.gz AEEFXEOWDVFXTI-JTQLQIEISA-N 1 2 299.396 1.315 20 30 CDEDLO CCn1nc(C)c(NC(=O)NCc2[nH+]ccn2C)c1C ZINC000330652730 391455751 /nfs/dbraw/zinc/45/57/51/391455751.db2.gz KYMHNZUMZIOROK-UHFFFAOYSA-N 1 2 276.344 1.779 20 30 CDEDLO CC[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000330615684 391459224 /nfs/dbraw/zinc/45/92/24/391459224.db2.gz CQKPETKFYUKFCK-NEPJUHHUSA-N 1 2 257.378 1.255 20 30 CDEDLO CC[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000330615684 391459227 /nfs/dbraw/zinc/45/92/27/391459227.db2.gz CQKPETKFYUKFCK-NEPJUHHUSA-N 1 2 257.378 1.255 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411617933 391489447 /nfs/dbraw/zinc/48/94/47/391489447.db2.gz MJMSASAZCITTGG-CHWSQXEVSA-N 1 2 280.368 1.459 20 30 CDEDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCC1(C#N)CCCCC1 ZINC000411617933 391489450 /nfs/dbraw/zinc/48/94/50/391489450.db2.gz MJMSASAZCITTGG-CHWSQXEVSA-N 1 2 280.368 1.459 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000412031792 391553330 /nfs/dbraw/zinc/55/33/30/391553330.db2.gz QVGRSSYMEWQFMU-ZDUSSCGKSA-N 1 2 291.399 1.327 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000412031792 391553331 /nfs/dbraw/zinc/55/33/31/391553331.db2.gz QVGRSSYMEWQFMU-ZDUSSCGKSA-N 1 2 291.399 1.327 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](c2n[nH]c(C)n2)C1 ZINC000412031792 391553340 /nfs/dbraw/zinc/55/33/40/391553340.db2.gz QVGRSSYMEWQFMU-ZDUSSCGKSA-N 1 2 291.399 1.327 20 30 CDEDLO Cn1cc([C@@H](CO)[NH2+]Cc2ccc(C#N)cc2Cl)cn1 ZINC000439428955 391631650 /nfs/dbraw/zinc/63/16/50/391631650.db2.gz HCCYDUHMDBBSTC-CQSZACIVSA-N 1 2 290.754 1.768 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H]1CCCC[C@H]1C)C(=O)OC ZINC000361115162 391683528 /nfs/dbraw/zinc/68/35/28/391683528.db2.gz WLBDAMXPQIJZAG-AGIUHOORSA-N 1 2 255.358 1.899 20 30 CDEDLO N#CCC1(CNC(=O)NCCNc2cccc[nH+]2)CC1 ZINC000362357880 391720054 /nfs/dbraw/zinc/72/00/54/391720054.db2.gz NLARRHMMQNUFML-UHFFFAOYSA-N 1 2 273.340 1.487 20 30 CDEDLO CC1(C)C[N@H+](CCNC(=O)C2CCC(=O)CC2)CCO1 ZINC000329820539 391784765 /nfs/dbraw/zinc/78/47/65/391784765.db2.gz GNDUAWSIAYGORY-UHFFFAOYSA-N 1 2 282.384 1.813 20 30 CDEDLO CC1(C)C[N@@H+](CCNC(=O)C2CCC(=O)CC2)CCO1 ZINC000329820539 391784767 /nfs/dbraw/zinc/78/47/67/391784767.db2.gz GNDUAWSIAYGORY-UHFFFAOYSA-N 1 2 282.384 1.813 20 30 CDEDLO Cc1csc(NC(=O)CN2C[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000329952648 391805334 /nfs/dbraw/zinc/80/53/34/391805334.db2.gz IXVVGMMUYYFUMH-WDEREUQCSA-N 1 2 296.396 1.054 20 30 CDEDLO Cc1csc(NC(=O)CN2C[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000329952648 391805336 /nfs/dbraw/zinc/80/53/36/391805336.db2.gz IXVVGMMUYYFUMH-WDEREUQCSA-N 1 2 296.396 1.054 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(OC)c(OC)c1 ZINC000192230806 130398702 /nfs/dbraw/zinc/39/87/02/130398702.db2.gz HMKCASUZIBWDFG-UHFFFAOYSA-N 1 2 262.309 1.207 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(OC)c(OC)c1 ZINC000192230806 130398704 /nfs/dbraw/zinc/39/87/04/130398704.db2.gz HMKCASUZIBWDFG-UHFFFAOYSA-N 1 2 262.309 1.207 20 30 CDEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CC23CCCC3)CC1 ZINC000329962825 391807012 /nfs/dbraw/zinc/80/70/12/391807012.db2.gz PMXJDZIXCLBLQR-AWEZNQCLSA-N 1 2 293.411 1.687 20 30 CDEDLO C[C@H]1[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)CCOC1(C)C ZINC000408322566 391920355 /nfs/dbraw/zinc/92/03/55/391920355.db2.gz VCNHWFGDXKVZQG-IAQYHMDHSA-N 1 2 279.384 1.294 20 30 CDEDLO C[C@H]1[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CCOC1(C)C ZINC000408322566 391920361 /nfs/dbraw/zinc/92/03/61/391920361.db2.gz VCNHWFGDXKVZQG-IAQYHMDHSA-N 1 2 279.384 1.294 20 30 CDEDLO CC#CC[C@H](CO)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000646329552 392533058 /nfs/dbraw/zinc/53/30/58/392533058.db2.gz KWUDIXYDYIFITO-GFCCVEGCSA-N 1 2 261.325 1.016 20 30 CDEDLO N#Cc1ccc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000548630790 392500182 /nfs/dbraw/zinc/50/01/82/392500182.db2.gz GAJOCZURSCULFN-CYBMUJFWSA-N 1 2 281.319 1.891 20 30 CDEDLO C[N@@H+]1CCC[C@H]1CNC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000329324461 392764764 /nfs/dbraw/zinc/76/47/64/392764764.db2.gz ICQFUNLKHWWUEB-VIFPVBQESA-N 1 2 297.428 1.678 20 30 CDEDLO C[N@H+]1CCC[C@H]1CNC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000329324461 392764768 /nfs/dbraw/zinc/76/47/68/392764768.db2.gz ICQFUNLKHWWUEB-VIFPVBQESA-N 1 2 297.428 1.678 20 30 CDEDLO Cc1cc(N[C@H]2CC(=O)N3CCCC[C@@H]23)c(C#N)c[nH+]1 ZINC000521033580 392863655 /nfs/dbraw/zinc/86/36/55/392863655.db2.gz MZRWXNMOUVRHJT-KBPBESRZSA-N 1 2 270.336 1.249 20 30 CDEDLO CN(CC[NH+]1CCOCC1)c1c(C#N)cccc1[N+](=O)[O-] ZINC000425233425 392999351 /nfs/dbraw/zinc/99/93/51/392999351.db2.gz XETBFUNEVYJXFX-UHFFFAOYSA-N 1 2 290.323 1.235 20 30 CDEDLO Cc1cc(NC[C@H]2CC(=O)N(C3CC3)C2)c(C#N)c[nH+]1 ZINC000425244825 393001709 /nfs/dbraw/zinc/00/17/09/393001709.db2.gz HZDJHYGMXYAKOD-LLVKDONJSA-N 1 2 270.336 1.106 20 30 CDEDLO COC[C@]1(CO)CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425268822 393010507 /nfs/dbraw/zinc/01/05/07/393010507.db2.gz PWXCZGAQVSVSCI-CQSZACIVSA-N 1 2 261.325 1.097 20 30 CDEDLO C[NH+]1CCN(C(=O)CSc2ccc(C#N)cc2F)CC1 ZINC000334243080 149386982 /nfs/dbraw/zinc/38/69/82/149386982.db2.gz XXILKWYTXKIJLN-UHFFFAOYSA-N 1 2 293.367 1.563 20 30 CDEDLO COc1cc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)ccc1C#N ZINC000282367607 286218433 /nfs/dbraw/zinc/21/84/33/286218433.db2.gz QCXWNJCZGPDGNY-CABCVRRESA-N 1 2 299.374 1.810 20 30 CDEDLO COc1cc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)ccc1C#N ZINC000282367607 286218434 /nfs/dbraw/zinc/21/84/34/286218434.db2.gz QCXWNJCZGPDGNY-CABCVRRESA-N 1 2 299.374 1.810 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)COc1ccccc1C#N ZINC000353107712 155658534 /nfs/dbraw/zinc/65/85/34/155658534.db2.gz ODRMUSMCDFZKLG-UHFFFAOYSA-N 1 2 270.292 1.285 20 30 CDEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCCCC[C@H]2O)nn1 ZINC000656467553 413324375 /nfs/dbraw/zinc/32/43/75/413324375.db2.gz QLWKYWJBHSWYEX-ZIAGYGMSSA-N 1 2 262.357 1.257 20 30 CDEDLO COc1cc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)ccc1C#N ZINC000235010584 165046002 /nfs/dbraw/zinc/04/60/02/165046002.db2.gz RBAWCAHTPXGXAQ-SMDDNHRTSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1cc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)ccc1C#N ZINC000235010584 165046005 /nfs/dbraw/zinc/04/60/05/165046005.db2.gz RBAWCAHTPXGXAQ-SMDDNHRTSA-N 1 2 276.336 1.148 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCSCC1 ZINC000020257255 171112112 /nfs/dbraw/zinc/11/21/12/171112112.db2.gz KUCWXEGIVIOHKR-NSHDSACASA-N 1 2 275.377 1.934 20 30 CDEDLO C=CCCCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000664782661 413650322 /nfs/dbraw/zinc/65/03/22/413650322.db2.gz AWHHDFYKMUPOIW-CHWSQXEVSA-N 1 2 269.389 1.361 20 30 CDEDLO C=CCCCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000664782661 413650334 /nfs/dbraw/zinc/65/03/34/413650334.db2.gz AWHHDFYKMUPOIW-CHWSQXEVSA-N 1 2 269.389 1.361 20 30 CDEDLO C#CC[N@H+](Cc1ccccc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000285702071 196371138 /nfs/dbraw/zinc/37/11/38/196371138.db2.gz OJZOHEDJCIIALD-HNNXBMFYSA-N 1 2 277.389 1.557 20 30 CDEDLO C#CC[N@@H+](Cc1ccccc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000285702071 196371140 /nfs/dbraw/zinc/37/11/40/196371140.db2.gz OJZOHEDJCIIALD-HNNXBMFYSA-N 1 2 277.389 1.557 20 30 CDEDLO N#CCSc1ccccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000070991504 176019631 /nfs/dbraw/zinc/01/96/31/176019631.db2.gz BADFNKYQUJGAHM-UHFFFAOYSA-N 1 2 272.333 1.955 20 30 CDEDLO Cc1ccc(NC(=O)N2CCN3C(=O)CC[C@@H]3C2)c(C)[nH+]1 ZINC000329131287 227318176 /nfs/dbraw/zinc/31/81/76/227318176.db2.gz OTBMMXOOCWAYJQ-GFCCVEGCSA-N 1 2 288.351 1.551 20 30 CDEDLO N#CC1(C[NH2+][C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)CC1 ZINC000329133343 227318752 /nfs/dbraw/zinc/31/87/52/227318752.db2.gz PNFJIPUNGGKZRK-ZBFHGGJFSA-N 1 2 296.374 1.779 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)[C@@H]1C[C@]12CCOC2)[NH+]1CCOCC1 ZINC000329692305 227881505 /nfs/dbraw/zinc/88/15/05/227881505.db2.gz ZXBNZEPKUCTXNZ-XFMPKHEZSA-N 1 2 282.384 1.479 20 30 CDEDLO CCc1nc(CO[NH+]=C(N)c2ccc(C)c(F)c2)no1 ZINC000067098424 260250358 /nfs/dbraw/zinc/25/03/58/260250358.db2.gz RUQZPGPWPWQQHB-UHFFFAOYSA-N 1 2 278.287 1.917 20 30 CDEDLO Cc1ccc(Cl)cc1NC(=O)CO[NH+]=C(N)CCO ZINC000121321232 260709440 /nfs/dbraw/zinc/70/94/40/260709440.db2.gz WTVWTUKJZYCBPH-UHFFFAOYSA-N 1 2 285.731 1.258 20 30 CDEDLO CC(C)(C#N)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000153017231 261072442 /nfs/dbraw/zinc/07/24/42/261072442.db2.gz JRMLQMUHILQXRS-LLVKDONJSA-N 1 2 258.325 1.326 20 30 CDEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cccnc1 ZINC000160820513 261227084 /nfs/dbraw/zinc/22/70/84/261227084.db2.gz FBYZMQBNGPHNGD-OAHLLOKOSA-N 1 2 272.352 1.322 20 30 CDEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cccnc1 ZINC000160820513 261227085 /nfs/dbraw/zinc/22/70/85/261227085.db2.gz FBYZMQBNGPHNGD-OAHLLOKOSA-N 1 2 272.352 1.322 20 30 CDEDLO C#CC[N@@H+]([C@@H](C)Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 ZINC000490949459 261262301 /nfs/dbraw/zinc/26/23/01/261262301.db2.gz KLPPXKDSBUHMLM-JSGCOSHPSA-N 1 2 297.445 1.801 20 30 CDEDLO C#CC[N@H+]([C@@H](C)Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 ZINC000490949459 261262302 /nfs/dbraw/zinc/26/23/02/261262302.db2.gz KLPPXKDSBUHMLM-JSGCOSHPSA-N 1 2 297.445 1.801 20 30 CDEDLO C=CCC[C@@H](CO)NC(=O)/C=C\c1[nH+]ccn1CC ZINC000492966255 262254423 /nfs/dbraw/zinc/25/44/23/262254423.db2.gz XVFYHSNXUNAABE-KRZKBDHCSA-N 1 2 263.341 1.360 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)NCCCC#N ZINC000273067659 263012000 /nfs/dbraw/zinc/01/20/00/263012000.db2.gz USSQIOPRQNDLES-UHFFFAOYSA-N 1 2 256.309 1.765 20 30 CDEDLO CC1(C#N)CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000277275680 263040473 /nfs/dbraw/zinc/04/04/73/263040473.db2.gz AJAAMGDFGOZYJB-UHFFFAOYSA-N 1 2 287.367 1.443 20 30 CDEDLO CC1(C#N)CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000277275680 263040474 /nfs/dbraw/zinc/04/04/74/263040474.db2.gz AJAAMGDFGOZYJB-UHFFFAOYSA-N 1 2 287.367 1.443 20 30 CDEDLO CC[C@H]1C[N@H+](CCNC(=O)N[C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000425863870 263051689 /nfs/dbraw/zinc/05/16/89/263051689.db2.gz OQVYMJJARBDNMA-MJBXVCDLSA-N 1 2 294.399 1.089 20 30 CDEDLO CC[C@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000425863870 263051690 /nfs/dbraw/zinc/05/16/90/263051690.db2.gz OQVYMJJARBDNMA-MJBXVCDLSA-N 1 2 294.399 1.089 20 30 CDEDLO N#C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C1CCCCC1 ZINC000279531132 263055906 /nfs/dbraw/zinc/05/59/06/263055906.db2.gz VYKDYBKTBPFNTR-GFCCVEGCSA-N 1 2 260.341 1.931 20 30 CDEDLO Cc1ccc(C)c(NC(=O)CO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000283908469 263084834 /nfs/dbraw/zinc/08/48/34/263084834.db2.gz DLIVDYAXGDWKKS-CYBMUJFWSA-N 1 2 291.351 1.710 20 30 CDEDLO CC(C)(C)c1cnc(CO[NH+]=C(N)[C@H]2CCCO2)o1 ZINC000284051347 263085649 /nfs/dbraw/zinc/08/56/49/263085649.db2.gz JGCSNLRKCZESSV-SECBINFHSA-N 1 2 267.329 1.940 20 30 CDEDLO COc1cccc(NC(=O)CO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000284383325 263086590 /nfs/dbraw/zinc/08/65/90/263086590.db2.gz MCYBEKIITGHEMR-LBPRGKRZSA-N 1 2 293.323 1.102 20 30 CDEDLO NC(=[NH+]OCc1cc(Br)no1)[C@H]1CCCO1 ZINC000291802480 263125810 /nfs/dbraw/zinc/12/58/10/263125810.db2.gz BYJAQPUKXQBBEJ-SSDOTTSWSA-N 1 2 290.117 1.405 20 30 CDEDLO CC[N@H+](CCC#N)Cc1ccc2c(c1)NC(=O)CO2 ZINC000294843047 263168331 /nfs/dbraw/zinc/16/83/31/263168331.db2.gz IEDDQFJKCJZRAJ-UHFFFAOYSA-N 1 2 259.309 1.753 20 30 CDEDLO CC[N@@H+](CCC#N)Cc1ccc2c(c1)NC(=O)CO2 ZINC000294843047 263168332 /nfs/dbraw/zinc/16/83/32/263168332.db2.gz IEDDQFJKCJZRAJ-UHFFFAOYSA-N 1 2 259.309 1.753 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1)C1CC1 ZINC000298752958 263225090 /nfs/dbraw/zinc/22/50/90/263225090.db2.gz HNEJSAMPZPMQFD-GOEBONIOSA-N 1 2 286.379 1.960 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1c1ccc[nH]1)C1CC1 ZINC000298752958 263225091 /nfs/dbraw/zinc/22/50/91/263225091.db2.gz HNEJSAMPZPMQFD-GOEBONIOSA-N 1 2 286.379 1.960 20 30 CDEDLO CC(C)[C@@H](C#N)NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000342091274 263391308 /nfs/dbraw/zinc/39/13/08/263391308.db2.gz JYTHSAAOVPERHG-WDEREUQCSA-N 1 2 255.387 1.088 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342175003 263392561 /nfs/dbraw/zinc/39/25/61/263392561.db2.gz FDTIYUSWEYBMJC-ZDUSSCGKSA-N 1 2 285.347 1.787 20 30 CDEDLO C[C@H](NC(=O)N1CCCCO1)[C@H](C)[NH+]1CCOCC1 ZINC000328699182 263845820 /nfs/dbraw/zinc/84/58/20/263845820.db2.gz MCXOZMGGYBSAND-RYUDHWBXSA-N 1 2 271.361 1.037 20 30 CDEDLO C=CCN1CC[C@H]([NH2+][C@@H](C)c2nc(C(C)(C)C)no2)C1=O ZINC000330378544 263918411 /nfs/dbraw/zinc/91/84/11/263918411.db2.gz GCCSZLFLBMVSDP-QWRGUYRKSA-N 1 2 292.383 1.805 20 30 CDEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C[C@H](C)O1 ZINC000330705461 264019438 /nfs/dbraw/zinc/01/94/38/264019438.db2.gz SDYIIRBRHGKXEP-DSJMHWKBSA-N 1 2 295.427 1.929 20 30 CDEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C[C@H](C)O1 ZINC000330705461 264019440 /nfs/dbraw/zinc/01/94/40/264019440.db2.gz SDYIIRBRHGKXEP-DSJMHWKBSA-N 1 2 295.427 1.929 20 30 CDEDLO C[C@H](C[S@](C)=O)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000330826789 264048756 /nfs/dbraw/zinc/04/87/56/264048756.db2.gz PCKOSJWQYDHQLW-NLQQUQSOSA-N 1 2 298.412 1.270 20 30 CDEDLO CC[N@@H+](CC(=O)N1C[C@@H](C)O[C@@H](C)C1)C[C@H](C)C#N ZINC000330784349 264052592 /nfs/dbraw/zinc/05/25/92/264052592.db2.gz RSHBFPOOPSCJRR-UPJWGTAASA-N 1 2 267.373 1.104 20 30 CDEDLO CC[N@H+](CC(=O)N1C[C@@H](C)O[C@@H](C)C1)C[C@H](C)C#N ZINC000330784349 264052595 /nfs/dbraw/zinc/05/25/95/264052595.db2.gz RSHBFPOOPSCJRR-UPJWGTAASA-N 1 2 267.373 1.104 20 30 CDEDLO N#CCCCC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000330894160 264077576 /nfs/dbraw/zinc/07/75/76/264077576.db2.gz LUNKLUXJIDBPKL-UHFFFAOYSA-N 1 2 260.341 1.572 20 30 CDEDLO N#CCCCC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000330896712 264078409 /nfs/dbraw/zinc/07/84/09/264078409.db2.gz NORVZCHSWNDSEM-UHFFFAOYSA-N 1 2 272.352 1.420 20 30 CDEDLO NC(=O)C[C@@H]1CCCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000331020451 264098209 /nfs/dbraw/zinc/09/82/09/264098209.db2.gz RLEMKSOLFPNDJI-LBPRGKRZSA-N 1 2 293.371 1.825 20 30 CDEDLO NC(=O)C[C@@H]1CCCN(C([O-])=[NH+]CCCn2cc[nH+]c2)C1 ZINC000331020451 264098210 /nfs/dbraw/zinc/09/82/10/264098210.db2.gz RLEMKSOLFPNDJI-LBPRGKRZSA-N 1 2 293.371 1.825 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331297888 264198534 /nfs/dbraw/zinc/19/85/34/264198534.db2.gz AXGICWWYPCMNEW-LBPRGKRZSA-N 1 2 299.415 1.564 20 30 CDEDLO CCCCNC(=O)NC(=O)C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331297888 264198537 /nfs/dbraw/zinc/19/85/37/264198537.db2.gz AXGICWWYPCMNEW-LBPRGKRZSA-N 1 2 299.415 1.564 20 30 CDEDLO C=CC[N@@H+](C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000425416738 264295702 /nfs/dbraw/zinc/29/57/02/264295702.db2.gz LTUQBPROMVFARB-QWHCGFSZSA-N 1 2 273.398 1.087 20 30 CDEDLO C=CC[N@H+](C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000425416738 264295703 /nfs/dbraw/zinc/29/57/03/264295703.db2.gz LTUQBPROMVFARB-QWHCGFSZSA-N 1 2 273.398 1.087 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000356998465 266229253 /nfs/dbraw/zinc/22/92/53/266229253.db2.gz NWLBLDBHQFANHO-ZDUSSCGKSA-N 1 2 266.385 1.686 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000356998465 266229256 /nfs/dbraw/zinc/22/92/56/266229256.db2.gz NWLBLDBHQFANHO-ZDUSSCGKSA-N 1 2 266.385 1.686 20 30 CDEDLO C=C[C@H](CO)Nc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000357604147 266333672 /nfs/dbraw/zinc/33/36/72/266333672.db2.gz KLJIVQQRNALWKE-GFCCVEGCSA-N 1 2 256.309 1.228 20 30 CDEDLO CCNC(=O)C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000369803281 267268217 /nfs/dbraw/zinc/26/82/17/267268217.db2.gz KPYUAJKKZPSXGC-HUUCEWRRSA-N 1 2 271.364 1.894 20 30 CDEDLO CCNC(=O)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000369803281 267268219 /nfs/dbraw/zinc/26/82/19/267268219.db2.gz KPYUAJKKZPSXGC-HUUCEWRRSA-N 1 2 271.364 1.894 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000290499352 276926600 /nfs/dbraw/zinc/92/66/00/276926600.db2.gz MFFFFSYHWXKPIL-GUTXKFCHSA-N 1 2 277.368 1.620 20 30 CDEDLO Cc1cnc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cn1 ZINC000330294445 279007548 /nfs/dbraw/zinc/00/75/48/279007548.db2.gz FGCFDXWGQISRJF-SNVBAGLBSA-N 1 2 257.297 1.301 20 30 CDEDLO Cc1nnc(N2CCn3c[nH+]cc3C2)c(C#N)c1C ZINC000290762093 279226796 /nfs/dbraw/zinc/22/67/96/279226796.db2.gz UJQLBYANSBUGRG-UHFFFAOYSA-N 1 2 254.297 1.182 20 30 CDEDLO N#Cc1ccc(C(=O)NCCCCn2cc[nH+]c2)nc1 ZINC000111277357 279321487 /nfs/dbraw/zinc/32/14/87/279321487.db2.gz PMPNYWQMNTZPPB-UHFFFAOYSA-N 1 2 269.308 1.360 20 30 CDEDLO N#Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)ccc1Cl ZINC000544624999 289647489 /nfs/dbraw/zinc/64/74/89/289647489.db2.gz HQWWJGGZCOGCTD-UHFFFAOYSA-N 1 2 274.711 1.907 20 30 CDEDLO N#Cc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)ccc1F ZINC000556843883 290308818 /nfs/dbraw/zinc/30/88/18/290308818.db2.gz VFVIHSMMPFLFJX-UHFFFAOYSA-N 1 2 270.267 1.591 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000556935356 290317147 /nfs/dbraw/zinc/31/71/47/290317147.db2.gz INPNKEOLLZKOTH-CQSZACIVSA-N 1 2 295.346 1.876 20 30 CDEDLO CCn1cc[nH+]c1CN1CCN(c2cnccc2C#N)CC1 ZINC000556941004 290317609 /nfs/dbraw/zinc/31/76/09/290317609.db2.gz DXQLLIZSHKNNKR-UHFFFAOYSA-N 1 2 296.378 1.492 20 30 CDEDLO C[C@H](CC(=O)Nc1nc(C#N)c(C#N)[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000563099615 293273765 /nfs/dbraw/zinc/27/37/65/293273765.db2.gz JVOWPYFWKDEWTF-NXEZZACHSA-N 1 2 286.339 1.117 20 30 CDEDLO N#Cc1nccc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000574771195 295052959 /nfs/dbraw/zinc/05/29/59/295052959.db2.gz PONZYJCSWHPHER-UHFFFAOYSA-N 1 2 297.337 1.810 20 30 CDEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCC(F)(F)C1 ZINC000329734612 295387409 /nfs/dbraw/zinc/38/74/09/295387409.db2.gz KKGYYXHLMVHXNA-QMMMGPOBSA-N 1 2 270.283 1.522 20 30 CDEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CCC(F)(F)C1 ZINC000329734612 295387411 /nfs/dbraw/zinc/38/74/11/295387411.db2.gz KKGYYXHLMVHXNA-QMMMGPOBSA-N 1 2 270.283 1.522 20 30 CDEDLO C[C@H](Cn1cccn1)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000329086009 298924085 /nfs/dbraw/zinc/92/40/85/298924085.db2.gz GOFHAAUNONXLRT-CYBMUJFWSA-N 1 2 292.383 1.483 20 30 CDEDLO C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C(F)(F)F ZINC000570849944 327626075 /nfs/dbraw/zinc/62/60/75/327626075.db2.gz SYSOQUOSYZZRCD-VXNVDRBHSA-N 1 2 251.252 1.145 20 30 CDEDLO COC[C@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)c1ccco1 ZINC000184586959 327830471 /nfs/dbraw/zinc/83/04/71/327830471.db2.gz XLMCHFMUXJEKNW-NEPJUHHUSA-N 1 2 279.340 1.317 20 30 CDEDLO Cn1cc[nH+]c1[C@@H](CC(=O)N(CC#N)CC#N)C(F)(F)F ZINC000563375780 328058393 /nfs/dbraw/zinc/05/83/93/328058393.db2.gz FEPYRMXPJRKRAE-SECBINFHSA-N 1 2 299.256 1.332 20 30 CDEDLO C=C(C)CN(CC)C(=O)CO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000267032943 328171858 /nfs/dbraw/zinc/17/18/58/328171858.db2.gz VXTUKCCAZUAIKK-CYBMUJFWSA-N 1 2 299.415 1.761 20 30 CDEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)NCC#N ZINC000175383994 329165480 /nfs/dbraw/zinc/16/54/80/329165480.db2.gz IIFKZZUHYXQTBP-GIPWTMENSA-N 1 2 293.392 1.057 20 30 CDEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)NCC#N ZINC000175383994 329165481 /nfs/dbraw/zinc/16/54/81/329165481.db2.gz IIFKZZUHYXQTBP-GIPWTMENSA-N 1 2 293.392 1.057 20 30 CDEDLO C[N@@H+](Cc1ccccc1C#N)C[C@H](O)C(F)(F)F ZINC000181294159 323232175 /nfs/dbraw/zinc/23/21/75/323232175.db2.gz CYVOLLACBPMKQT-NSHDSACASA-N 1 2 258.243 1.913 20 30 CDEDLO C[N@H+](Cc1ccccc1C#N)C[C@H](O)C(F)(F)F ZINC000181294159 323232177 /nfs/dbraw/zinc/23/21/77/323232177.db2.gz CYVOLLACBPMKQT-NSHDSACASA-N 1 2 258.243 1.913 20 30 CDEDLO COc1cccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000563765470 328512961 /nfs/dbraw/zinc/51/29/61/328512961.db2.gz USPJLTNCOVJWFD-CQSZACIVSA-N 1 2 261.325 1.269 20 30 CDEDLO CC[N@H+](C1COC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000583853239 325252532 /nfs/dbraw/zinc/25/25/32/325252532.db2.gz IFRKCKGENWIESJ-MRXNPFEDSA-N 1 2 299.374 1.774 20 30 CDEDLO CC[N@@H+](C1COC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000583853239 325252534 /nfs/dbraw/zinc/25/25/34/325252534.db2.gz IFRKCKGENWIESJ-MRXNPFEDSA-N 1 2 299.374 1.774 20 30 CDEDLO C#CC[N@@H+](Cc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000092193892 327187904 /nfs/dbraw/zinc/18/79/04/327187904.db2.gz OBCXOHMSGXQYAI-INIZCTEOSA-N 1 2 291.416 1.926 20 30 CDEDLO C#CC[N@H+](Cc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000092193892 327187905 /nfs/dbraw/zinc/18/79/05/327187905.db2.gz OBCXOHMSGXQYAI-INIZCTEOSA-N 1 2 291.416 1.926 20 30 CDEDLO C=CCN(CCC#N)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000570216503 327577785 /nfs/dbraw/zinc/57/77/85/327577785.db2.gz RNSQWEVLGSQVSC-GFCCVEGCSA-N 1 2 258.325 1.374 20 30 CDEDLO CC[C@](C)(C#N)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000375639268 329004816 /nfs/dbraw/zinc/00/48/16/329004816.db2.gz AXARLXGRSRWGNJ-OAHLLOKOSA-N 1 2 283.335 1.823 20 30 CDEDLO C#CCCCNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000173317806 329145705 /nfs/dbraw/zinc/14/57/05/329145705.db2.gz YWNRZLNVVVMWIK-UHFFFAOYSA-N 1 2 260.341 1.643 20 30 CDEDLO C#CCCCNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000174091977 329154276 /nfs/dbraw/zinc/15/42/76/329154276.db2.gz QGWUEDAUHWVAIQ-UHFFFAOYSA-N 1 2 283.335 1.480 20 30 CDEDLO C#C[C@@H](C)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000187723594 329362970 /nfs/dbraw/zinc/36/29/70/329362970.db2.gz RDJLOPRNPOSKFX-GFCCVEGCSA-N 1 2 268.320 1.693 20 30 CDEDLO C[C@H]1C(=O)CC[C@@H]1CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000527245687 330241602 /nfs/dbraw/zinc/24/16/02/330241602.db2.gz KZPUWEYVIFDHHW-VXGBXAGGSA-N 1 2 277.368 1.096 20 30 CDEDLO C=CC[C@@H](CO)CNc1nc(N)c2ccccc2[nH+]1 ZINC000537049262 330394959 /nfs/dbraw/zinc/39/49/59/330394959.db2.gz YUHIAOUSRBSTJY-SNVBAGLBSA-N 1 2 258.325 1.061 20 30 CDEDLO C=CCC[C@H](CO)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000450903059 331006061 /nfs/dbraw/zinc/00/60/61/331006061.db2.gz YUGOPNPJZJWERI-GFCCVEGCSA-N 1 2 278.356 1.052 20 30 CDEDLO C=CCC[C@H](CO)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000450903059 331006062 /nfs/dbraw/zinc/00/60/62/331006062.db2.gz YUGOPNPJZJWERI-GFCCVEGCSA-N 1 2 278.356 1.052 20 30 CDEDLO N#CC1(C[NH2+][C@@]2(CO)CCOc3ccccc32)CCC1 ZINC000450903464 331006121 /nfs/dbraw/zinc/00/61/21/331006121.db2.gz CNBSODXPTHNEAQ-MRXNPFEDSA-N 1 2 272.348 1.940 20 30 CDEDLO C=C(CC)CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000454540102 331148405 /nfs/dbraw/zinc/14/84/05/331148405.db2.gz JUDADSHOBMJMQM-CHWSQXEVSA-N 1 2 269.389 1.361 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000458812082 331261001 /nfs/dbraw/zinc/26/10/01/331261001.db2.gz QJPDPKAMIZTZTD-CQSZACIVSA-N 1 2 297.443 1.999 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000458812082 331261002 /nfs/dbraw/zinc/26/10/02/331261002.db2.gz QJPDPKAMIZTZTD-CQSZACIVSA-N 1 2 297.443 1.999 20 30 CDEDLO COC(=O)c1ccc(N2CC[NH+](CCCC#N)CC2)s1 ZINC000459515649 331285572 /nfs/dbraw/zinc/28/55/72/331285572.db2.gz RHMYTTBQAZFGEQ-UHFFFAOYSA-N 1 2 293.392 1.960 20 30 CDEDLO C[C@H]([NH2+]CC(=O)NCC#N)c1nc(C(F)(F)F)cs1 ZINC000490044074 332078521 /nfs/dbraw/zinc/07/85/21/332078521.db2.gz LXVMEMQLXRPZIB-LURJTMIESA-N 1 2 292.286 1.452 20 30 CDEDLO C#CCN(Cc1ccccc1)C(=O)NCCc1cn(C)c[nH+]1 ZINC000491268051 332178092 /nfs/dbraw/zinc/17/80/92/332178092.db2.gz WYTIURFMZGGEBU-UHFFFAOYSA-N 1 2 296.374 1.808 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000491287231 332181509 /nfs/dbraw/zinc/18/15/09/332181509.db2.gz LGVOZMSBQKGBEN-UHFFFAOYSA-N 1 2 260.381 1.636 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000491287231 332181510 /nfs/dbraw/zinc/18/15/10/332181510.db2.gz LGVOZMSBQKGBEN-UHFFFAOYSA-N 1 2 260.381 1.636 20 30 CDEDLO C#CC[N@@H+](CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000491349334 332194574 /nfs/dbraw/zinc/19/45/74/332194574.db2.gz HYVCYQKWCYMUKG-ZIAGYGMSSA-N 1 2 285.409 1.068 20 30 CDEDLO C#CC[N@H+](CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000491349334 332194576 /nfs/dbraw/zinc/19/45/76/332194576.db2.gz HYVCYQKWCYMUKG-ZIAGYGMSSA-N 1 2 285.409 1.068 20 30 CDEDLO C#CCN(C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21)C1CC1 ZINC000491393590 332203265 /nfs/dbraw/zinc/20/32/65/332203265.db2.gz IMSVWIYBLUPQGU-CYBMUJFWSA-N 1 2 286.379 1.876 20 30 CDEDLO C#C[C@@H](NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC000491396025 332204548 /nfs/dbraw/zinc/20/45/48/332204548.db2.gz WHMOLGYSXZMLNG-ZIAGYGMSSA-N 1 2 281.400 1.006 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cc1cccc(C(=O)OC)c1C#N ZINC000491427633 332209590 /nfs/dbraw/zinc/20/95/90/332209590.db2.gz LDJSHSKGWHXZEY-NSHDSACASA-N 1 2 256.305 1.798 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cc1cccc(C(=O)OC)c1C#N ZINC000491427633 332209591 /nfs/dbraw/zinc/20/95/91/332209591.db2.gz LDJSHSKGWHXZEY-NSHDSACASA-N 1 2 256.305 1.798 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000491644232 332262586 /nfs/dbraw/zinc/26/25/86/332262586.db2.gz JNKLAGWXKUJVLO-LLVKDONJSA-N 1 2 274.320 1.350 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000491644232 332262587 /nfs/dbraw/zinc/26/25/87/332262587.db2.gz JNKLAGWXKUJVLO-LLVKDONJSA-N 1 2 274.320 1.350 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000491664521 332273400 /nfs/dbraw/zinc/27/34/00/332273400.db2.gz HOXAHGNYQCRDIF-JKSUJKDBSA-N 1 2 289.375 1.377 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000491664521 332273402 /nfs/dbraw/zinc/27/34/02/332273402.db2.gz HOXAHGNYQCRDIF-JKSUJKDBSA-N 1 2 289.375 1.377 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000491664758 332273821 /nfs/dbraw/zinc/27/38/21/332273821.db2.gz JVHYBOXHGSCOHR-NSHDSACASA-N 1 2 273.336 1.537 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000491664758 332273822 /nfs/dbraw/zinc/27/38/22/332273822.db2.gz JVHYBOXHGSCOHR-NSHDSACASA-N 1 2 273.336 1.537 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@@](CC)(C(C)C)C1=O ZINC000491766330 332334440 /nfs/dbraw/zinc/33/44/40/332334440.db2.gz GYIIQQRTPVDQIG-FZMZJTMJSA-N 1 2 265.357 1.254 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@@](CC)(C(C)C)C1=O ZINC000491766330 332334441 /nfs/dbraw/zinc/33/44/41/332334441.db2.gz GYIIQQRTPVDQIG-FZMZJTMJSA-N 1 2 265.357 1.254 20 30 CDEDLO C#C[C@H](NC(=O)C(C)(C)[NH+]1CCOCC1)C(C)(C)C ZINC000491769363 332336536 /nfs/dbraw/zinc/33/65/36/332336536.db2.gz LHZHOKUMGICTIC-LBPRGKRZSA-N 1 2 266.385 1.261 20 30 CDEDLO C#C[C@H](CC)NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000491780110 332344659 /nfs/dbraw/zinc/34/46/59/332344659.db2.gz IGBMYSAPIDCBGY-NEPJUHHUSA-N 1 2 274.368 1.924 20 30 CDEDLO C#C[C@@H](CC)Nc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000491780228 332344698 /nfs/dbraw/zinc/34/46/98/332344698.db2.gz LTUOYSYBKWUKKH-JTQLQIEISA-N 1 2 279.307 1.429 20 30 CDEDLO C#C[C@H](CCC)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000491786390 332349035 /nfs/dbraw/zinc/34/90/35/332349035.db2.gz UOIQZJNZOIOMIF-HZSPNIEDSA-N 1 2 281.400 1.197 20 30 CDEDLO C#CC[N@@H+](Cc1ncnn1CCF)C1CCCC1 ZINC000491814523 332366126 /nfs/dbraw/zinc/36/61/26/332366126.db2.gz DFTWSDKSHHHFEJ-UHFFFAOYSA-N 1 2 250.321 1.625 20 30 CDEDLO C#CC[N@H+](Cc1ncnn1CCF)C1CCCC1 ZINC000491814523 332366127 /nfs/dbraw/zinc/36/61/27/332366127.db2.gz DFTWSDKSHHHFEJ-UHFFFAOYSA-N 1 2 250.321 1.625 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C\C1CC1 ZINC000491945712 332376495 /nfs/dbraw/zinc/37/64/95/332376495.db2.gz PLRMFDPNKFNUHN-PLNGDYQASA-N 1 2 277.368 1.027 20 30 CDEDLO Cc1ccc(/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000493119634 332427103 /nfs/dbraw/zinc/42/71/03/332427103.db2.gz OOCIROBJYWFCBP-SCOAYWHSSA-N 1 2 271.364 1.968 20 30 CDEDLO C=CCn1cc(CNC(=O)/C=C\c2[nH+]ccn2CC)nn1 ZINC000493225673 332431287 /nfs/dbraw/zinc/43/12/87/332431287.db2.gz FGEIUNSEMUWFJR-WAYWQWQTSA-N 1 2 286.339 1.010 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)N(C)c2ccc(F)cc2)CC1 ZINC000176660577 333045216 /nfs/dbraw/zinc/04/52/16/333045216.db2.gz BIRVCYZDQFKHHS-UHFFFAOYSA-N 1 2 275.327 1.633 20 30 CDEDLO N#CC1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000516828204 333083392 /nfs/dbraw/zinc/08/33/92/333083392.db2.gz HMEGUVNTUJRAMO-NSHDSACASA-N 1 2 258.325 1.592 20 30 CDEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H](CO)O1 ZINC000190097422 333203008 /nfs/dbraw/zinc/20/30/08/333203008.db2.gz QLDXENNBKNNZRT-IUODEOHRSA-N 1 2 263.312 1.259 20 30 CDEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H](CO)O1 ZINC000190097422 333203010 /nfs/dbraw/zinc/20/30/10/333203010.db2.gz QLDXENNBKNNZRT-IUODEOHRSA-N 1 2 263.312 1.259 20 30 CDEDLO C[C@H]1C[N@H+](CCNC(=O)c2cccc(CC#N)c2)CCO1 ZINC000522268241 333276931 /nfs/dbraw/zinc/27/69/31/333276931.db2.gz XBKZJZDGMFZBFG-ZDUSSCGKSA-N 1 2 287.363 1.203 20 30 CDEDLO C[C@H]1C[N@@H+](CCNC(=O)c2cccc(CC#N)c2)CCO1 ZINC000522268241 333276932 /nfs/dbraw/zinc/27/69/32/333276932.db2.gz XBKZJZDGMFZBFG-ZDUSSCGKSA-N 1 2 287.363 1.203 20 30 CDEDLO COCc1noc([C@H](C)[NH+]2CCC(CC#N)CC2)n1 ZINC000542257982 333818969 /nfs/dbraw/zinc/81/89/69/333818969.db2.gz ZIJYYQSHKSAOLZ-JTQLQIEISA-N 1 2 264.329 1.903 20 30 CDEDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)NC2(C#N)CCCCC2)o1 ZINC000544512068 333933974 /nfs/dbraw/zinc/93/39/74/333933974.db2.gz LDRJHZRFURSTPG-SNVBAGLBSA-N 1 2 291.355 1.371 20 30 CDEDLO C=C[C@](C)(CC)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000134867425 334106276 /nfs/dbraw/zinc/10/62/76/334106276.db2.gz JGTVXTPCBGUIGY-OAHLLOKOSA-N 1 2 268.401 1.816 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(Cl)o1 ZINC000565051712 334536715 /nfs/dbraw/zinc/53/67/15/334536715.db2.gz QXEYQBWXIVIKTK-LLVKDONJSA-N 1 2 255.705 1.507 20 30 CDEDLO N#CCC[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000568740959 334838526 /nfs/dbraw/zinc/83/85/26/334838526.db2.gz MGIICCVCXJYAIW-NSHDSACASA-N 1 2 263.728 1.949 20 30 CDEDLO Cc1cccc2c1O[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C2 ZINC000579243562 335726831 /nfs/dbraw/zinc/72/68/31/335726831.db2.gz COACYUORZKKWHK-BBRMVZONSA-N 1 2 287.363 1.259 20 30 CDEDLO C[C@@H](CC(=O)N1CCC(C)(C#N)CC1)n1cc[nH+]c1 ZINC000580838150 335973637 /nfs/dbraw/zinc/97/36/37/335973637.db2.gz WSDQQXWCOCCCHV-LBPRGKRZSA-N 1 2 260.341 1.986 20 30 CDEDLO Cc1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000581978918 336182857 /nfs/dbraw/zinc/18/28/57/336182857.db2.gz HQTBYCXYPCNZCO-CQSZACIVSA-N 1 2 290.323 1.477 20 30 CDEDLO N#CCN[C@@H]1CCCCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001088356294 1160380963 /nfs/dbraw/zinc/38/09/63/1160380963.db2.gz WAOUJUZTTUXRNA-CQSZACIVSA-N 1 2 289.383 1.158 20 30 CDEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000677048243 482460182 /nfs/dbraw/zinc/46/01/82/482460182.db2.gz RPDQOZFIKSPLJI-KGLIPLIRSA-N 1 2 264.369 1.112 20 30 CDEDLO C=C[C@@](C)(O)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000668528525 482469169 /nfs/dbraw/zinc/46/91/69/482469169.db2.gz RJSKZPWCASBOAR-CQSZACIVSA-N 1 2 259.309 1.196 20 30 CDEDLO COCC#CC[NH+]1CCN(c2ncc(C)s2)CC1 ZINC000677819268 482795757 /nfs/dbraw/zinc/79/57/57/482795757.db2.gz VTCWVLGUQHVDKA-UHFFFAOYSA-N 1 2 265.382 1.223 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000675497075 483320584 /nfs/dbraw/zinc/32/05/84/483320584.db2.gz XDKADFXFPNWTQQ-NXEZZACHSA-N 1 2 253.264 1.577 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000675497075 483320588 /nfs/dbraw/zinc/32/05/88/483320588.db2.gz XDKADFXFPNWTQQ-NXEZZACHSA-N 1 2 253.264 1.577 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1CCOC1 ZINC000330196170 533847013 /nfs/dbraw/zinc/84/70/13/533847013.db2.gz PURSSMSYXVIKQX-NWDGAFQWSA-N 1 2 256.346 1.090 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CC(C)(C)COC)CC1 ZINC001113147626 1162114814 /nfs/dbraw/zinc/11/48/14/1162114814.db2.gz CBROMFHJZCMHHK-UHFFFAOYSA-N 1 2 254.374 1.379 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](CC(C)C)OC)CC1 ZINC001113321059 1162153538 /nfs/dbraw/zinc/15/35/38/1162153538.db2.gz UWMFQHQWKQIPSD-AWEZNQCLSA-N 1 2 268.401 1.768 20 30 CDEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCN2C(=O)CC[C@H]2C1 ZINC000329228629 534386080 /nfs/dbraw/zinc/38/60/80/534386080.db2.gz BWSCQSDOMXGCCC-LBPRGKRZSA-N 1 2 288.351 1.551 20 30 CDEDLO CCC[N@H+](CCOc1cccc(C#N)c1)CC(=O)OC ZINC000077655014 521669321 /nfs/dbraw/zinc/66/93/21/521669321.db2.gz GPBLWGLZVDOZOK-UHFFFAOYSA-N 1 2 276.336 1.822 20 30 CDEDLO CCC[N@@H+](CCOc1cccc(C#N)c1)CC(=O)OC ZINC000077655014 521669323 /nfs/dbraw/zinc/66/93/23/521669323.db2.gz GPBLWGLZVDOZOK-UHFFFAOYSA-N 1 2 276.336 1.822 20 30 CDEDLO C=CCCC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000263969252 534606396 /nfs/dbraw/zinc/60/63/96/534606396.db2.gz HKQQYCNREMJDDD-UHFFFAOYSA-N 1 2 259.353 1.692 20 30 CDEDLO COc1cc(CNCc2[nH+]cc(C)n2C)ccc1C#N ZINC000353213167 522471205 /nfs/dbraw/zinc/47/12/05/522471205.db2.gz ABKFNQTZRVOTNP-UHFFFAOYSA-N 1 2 270.336 1.899 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(C#CCO)c1 ZINC000049239567 524792813 /nfs/dbraw/zinc/79/28/13/524792813.db2.gz DQWFZCZGAGMJMX-CYBMUJFWSA-N 1 2 283.331 1.045 20 30 CDEDLO Cc1cccn2c(=O)cc(C[NH2+][C@H]3CCC[C@@H]3C#N)nc12 ZINC000332122025 534842912 /nfs/dbraw/zinc/84/29/12/534842912.db2.gz HSTSWXMKYUTDCJ-OCCSQVGLSA-N 1 2 282.347 1.785 20 30 CDEDLO C=C(C)CCN(CCC#N)CC[NH+]1CCOCC1 ZINC000352011429 526439861 /nfs/dbraw/zinc/43/98/61/526439861.db2.gz BFVBWHRRCGUNOV-UHFFFAOYSA-N 1 2 251.374 1.500 20 30 CDEDLO C=CCOCC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000354891524 526710187 /nfs/dbraw/zinc/71/01/87/526710187.db2.gz UYNWBNCALAAPTL-UHFFFAOYSA-N 1 2 259.309 1.462 20 30 CDEDLO C=CCOc1ccccc1C[N@@H+]1CCn2ncnc2C1 ZINC000351916394 526932872 /nfs/dbraw/zinc/93/28/72/526932872.db2.gz ZGPMBYLRQMRCSN-UHFFFAOYSA-N 1 2 270.336 1.859 20 30 CDEDLO C=CCOc1ccccc1C[N@H+]1CCn2ncnc2C1 ZINC000351916394 526932878 /nfs/dbraw/zinc/93/28/78/526932878.db2.gz ZGPMBYLRQMRCSN-UHFFFAOYSA-N 1 2 270.336 1.859 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000332381485 527927914 /nfs/dbraw/zinc/92/79/14/527927914.db2.gz OPMLRGGDDLXMBF-WFASDCNBSA-N 1 2 289.383 1.601 20 30 CDEDLO CC(C)C[C@@H]1COCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000113941912 528392460 /nfs/dbraw/zinc/39/24/60/528392460.db2.gz VIENMRJYXNWFHM-ZBFHGGJFSA-N 1 2 293.411 1.542 20 30 CDEDLO CC(C)C[C@@H]1COCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000113941912 528392466 /nfs/dbraw/zinc/39/24/66/528392466.db2.gz VIENMRJYXNWFHM-ZBFHGGJFSA-N 1 2 293.411 1.542 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000331431231 528850378 /nfs/dbraw/zinc/85/03/78/528850378.db2.gz GLODJHFOOJGXCA-XNRPHZJLSA-N 1 2 293.411 1.540 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000331431231 528850380 /nfs/dbraw/zinc/85/03/80/528850380.db2.gz GLODJHFOOJGXCA-XNRPHZJLSA-N 1 2 293.411 1.540 20 30 CDEDLO CC(=O)N1CC(C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000328670507 538286531 /nfs/dbraw/zinc/28/65/31/538286531.db2.gz MRJVKLUANRBTBH-UHFFFAOYSA-N 1 2 272.308 1.709 20 30 CDEDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCCOCC1 ZINC000328757693 538388681 /nfs/dbraw/zinc/38/86/81/538388681.db2.gz VFJAGJGOGIPBFN-ZDUSSCGKSA-N 1 2 290.367 1.297 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H]2C#N)C1 ZINC000329661420 538609016 /nfs/dbraw/zinc/60/90/16/538609016.db2.gz OLRSWWUGJBEHDO-YNEHKIRRSA-N 1 2 287.367 1.816 20 30 CDEDLO C=CCN(C(=O)NCC[N@@H+]1CCO[C@H](C)C1)C(C)C ZINC000726252729 574495440 /nfs/dbraw/zinc/49/54/40/574495440.db2.gz KABCOJMOGUQUNI-CYBMUJFWSA-N 1 2 269.389 1.313 20 30 CDEDLO C=CCN(C(=O)NCC[N@H+]1CCO[C@H](C)C1)C(C)C ZINC000726252729 574495441 /nfs/dbraw/zinc/49/54/41/574495441.db2.gz KABCOJMOGUQUNI-CYBMUJFWSA-N 1 2 269.389 1.313 20 30 CDEDLO Cc1cnc(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)cn1 ZINC000732203772 575083487 /nfs/dbraw/zinc/08/34/87/575083487.db2.gz IEAOSYMHOHWXOY-HNNXBMFYSA-N 1 2 273.384 1.451 20 30 CDEDLO CS(=O)(=O)CCN[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000733204722 575106043 /nfs/dbraw/zinc/10/60/43/575106043.db2.gz WEUWGDLAEMMMEW-UHFFFAOYSA-N 1 2 299.396 1.238 20 30 CDEDLO COc1ccc(C(N)=[NH+]OCc2cc(C)n(C)n2)cc1 ZINC000767822474 576231783 /nfs/dbraw/zinc/23/17/83/576231783.db2.gz AMQRVBXXCPVCQQ-UHFFFAOYSA-N 1 2 274.324 1.574 20 30 CDEDLO CCOCC(C)N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761844800 576597315 /nfs/dbraw/zinc/59/73/15/576597315.db2.gz CJRGISNHUNGMQJ-UHFFFAOYSA-N 1 2 260.301 1.487 20 30 CDEDLO C=C1CC[NH+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735402749 575465745 /nfs/dbraw/zinc/46/57/45/575465745.db2.gz JFUYFEUBYZQQQT-CYBMUJFWSA-N 1 2 298.350 1.045 20 30 CDEDLO CC(C)c1[nH+]c(C=NN2CN=NC2=O)c2ccccn21 ZINC000770615618 575473827 /nfs/dbraw/zinc/47/38/27/575473827.db2.gz QFRJDPAPWPWCQD-UHFFFAOYSA-N 1 2 270.296 1.637 20 30 CDEDLO C=CCNC(=S)NN=Cc1cccc2[nH+]ccn21 ZINC000771090736 575547640 /nfs/dbraw/zinc/54/76/40/575547640.db2.gz XXJWBDRHVOSHCS-UHFFFAOYSA-N 1 2 259.338 1.318 20 30 CDEDLO COC[C@@H](C)NC(=S)NN=Cc1cccc2[nH+]ccn21 ZINC000771089693 575547734 /nfs/dbraw/zinc/54/77/34/575547734.db2.gz RUWXYUZGXZERAB-SNVBAGLBSA-N 1 2 291.380 1.167 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC(=O)c1ccco1 ZINC000771567283 575591255 /nfs/dbraw/zinc/59/12/55/575591255.db2.gz YWKXVJBQFLBNMG-STQMWFEESA-N 1 2 288.347 1.455 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC(=O)c1ccco1 ZINC000771567283 575591257 /nfs/dbraw/zinc/59/12/57/575591257.db2.gz YWKXVJBQFLBNMG-STQMWFEESA-N 1 2 288.347 1.455 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)N[C@H](CC(C)C)C1=O)C1CC1 ZINC000771639573 575599737 /nfs/dbraw/zinc/59/97/37/575599737.db2.gz HZHHKSKBFGRWEN-GFCCVEGCSA-N 1 2 265.357 1.561 20 30 CDEDLO C=CC[N@H+](CN1C(=O)N[C@H](CC(C)C)C1=O)C1CC1 ZINC000771639573 575599738 /nfs/dbraw/zinc/59/97/38/575599738.db2.gz HZHHKSKBFGRWEN-GFCCVEGCSA-N 1 2 265.357 1.561 20 30 CDEDLO N#CCOc1ccc(CC(=O)OCCn2cc[nH+]c2)cc1 ZINC000771960795 575642240 /nfs/dbraw/zinc/64/22/40/575642240.db2.gz ZFNSQBXHDIKVHC-UHFFFAOYSA-N 1 2 285.303 1.571 20 30 CDEDLO COc1ccccc1[C@@H](NC(=O)[C@H](C)C#N)c1[nH+]ccn1C ZINC000736668939 575713382 /nfs/dbraw/zinc/71/33/82/575713382.db2.gz MHWYARURYFOAQY-BXUZGUMPSA-N 1 2 298.346 1.794 20 30 CDEDLO C#C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)[C@@H]1CCCO1 ZINC000772884185 575763171 /nfs/dbraw/zinc/76/31/71/575763171.db2.gz JXFAGAAMOWFKLN-OLZOCXBDSA-N 1 2 269.304 1.245 20 30 CDEDLO C#C[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)[C@H]1CCCO1 ZINC000773548224 575823204 /nfs/dbraw/zinc/82/32/04/575823204.db2.gz LMRPVVIREWAHQW-ZIAGYGMSSA-N 1 2 298.346 1.314 20 30 CDEDLO CC#CCCOC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000765483946 576028764 /nfs/dbraw/zinc/02/87/64/576028764.db2.gz YYVPQOQHSKLHCR-MRXNPFEDSA-N 1 2 287.359 1.844 20 30 CDEDLO CC#CCCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000765483946 576028766 /nfs/dbraw/zinc/02/87/66/576028766.db2.gz YYVPQOQHSKLHCR-MRXNPFEDSA-N 1 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FPUMEEZQPFJUOU-UHFFFAOYSA-N 1 2 270.336 1.349 20 30 CDEDLO C#CCOCC[N@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000761113302 576550343 /nfs/dbraw/zinc/55/03/43/576550343.db2.gz FPUMEEZQPFJUOU-UHFFFAOYSA-N 1 2 270.336 1.349 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnn(CC2CC2)c1 ZINC000742957382 576621232 /nfs/dbraw/zinc/62/12/32/576621232.db2.gz FJEZRXHYWFCDHV-AWEZNQCLSA-N 1 2 272.352 1.329 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnn(CC2CC2)c1 ZINC000742957382 576621234 /nfs/dbraw/zinc/62/12/34/576621234.db2.gz FJEZRXHYWFCDHV-AWEZNQCLSA-N 1 2 272.352 1.329 20 30 CDEDLO N#Cc1ccccc1OCC(=O)OCCn1cc[nH+]c1 ZINC000763109600 576713454 /nfs/dbraw/zinc/71/34/54/576713454.db2.gz QCHKASRRPQHTOX-UHFFFAOYSA-N 1 2 271.276 1.377 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)nc1 ZINC000747401040 576868353 /nfs/dbraw/zinc/86/83/53/576868353.db2.gz RIPRBKLGGFNOQO-GFCCVEGCSA-N 1 2 268.320 1.326 20 30 CDEDLO Cc1cc(C)n(-c2nncn2[NH+]=C2C[C@H](C)N(C3CC3)C2)n1 ZINC000753954531 576869189 /nfs/dbraw/zinc/86/91/89/576869189.db2.gz DXPQXZWVRPZMRH-NSHDSACASA-N 1 2 299.382 1.541 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)CC(F)(F)C(F)F ZINC000747961880 576890260 /nfs/dbraw/zinc/89/02/60/576890260.db2.gz OSQCBVMTTXFJMD-UHFFFAOYSA-N 1 2 297.296 1.435 20 30 CDEDLO Cc1ccc2[nH+]cc(C=NNc3nc(C)cc(=O)[nH]3)n2c1 ZINC000755455076 576945367 /nfs/dbraw/zinc/94/53/67/576945367.db2.gz KRCAOAKJMAUFOO-UHFFFAOYSA-N 1 2 282.307 1.893 20 30 CDEDLO Cc1[nH]c[nH+]c1C=NN1C(=S)N=NC1C(C)(C)C ZINC000755518351 576947893 /nfs/dbraw/zinc/94/78/93/576947893.db2.gz IYITYUWBPSHRIA-UHFFFAOYSA-N 1 2 264.358 1.778 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1ncc(C)s1 ZINC000750085962 576975327 /nfs/dbraw/zinc/97/53/27/576975327.db2.gz ARXVOPCGXRWSRM-RYUDHWBXSA-N 1 2 277.393 1.726 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1ncc(C)s1 ZINC000750085962 576975328 /nfs/dbraw/zinc/97/53/28/576975328.db2.gz ARXVOPCGXRWSRM-RYUDHWBXSA-N 1 2 277.393 1.726 20 30 CDEDLO C#CCCCNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000756189776 576980658 /nfs/dbraw/zinc/98/06/58/576980658.db2.gz JWMNAUKQCBRMJT-UHFFFAOYSA-N 1 2 259.309 1.167 20 30 CDEDLO CC(C)C[N@H+](CCC#N)CN1C[C@]2(CCOC2)CC1=O ZINC000756850071 577008992 /nfs/dbraw/zinc/00/89/92/577008992.db2.gz UORJAATUKCVYQL-HNNXBMFYSA-N 1 2 279.384 1.455 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)CN1C[C@]2(CCOC2)CC1=O ZINC000756850071 577008994 /nfs/dbraw/zinc/00/89/94/577008994.db2.gz UORJAATUKCVYQL-HNNXBMFYSA-N 1 2 279.384 1.455 20 30 CDEDLO N#CCCNC(=O)C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000757119599 577029237 /nfs/dbraw/zinc/02/92/37/577029237.db2.gz CVIVAAFVFWEHRV-UHFFFAOYSA-N 1 2 261.247 1.211 20 30 CDEDLO N#CCCNC(=O)C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000757119599 577029239 /nfs/dbraw/zinc/02/92/39/577029239.db2.gz CVIVAAFVFWEHRV-UHFFFAOYSA-N 1 2 261.247 1.211 20 30 CDEDLO C#CCNC(=S)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000758244628 577089836 /nfs/dbraw/zinc/08/98/36/577089836.db2.gz SORSIAWAJKTSHU-RYUDHWBXSA-N 1 2 262.382 1.274 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)OC1CCCCC1 ZINC000752456285 577107580 /nfs/dbraw/zinc/10/75/80/577107580.db2.gz CSWXLFZILWJACS-AWEZNQCLSA-N 1 2 292.379 1.076 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)OC1CCCCC1 ZINC000752456285 577107583 /nfs/dbraw/zinc/10/75/83/577107583.db2.gz CSWXLFZILWJACS-AWEZNQCLSA-N 1 2 292.379 1.076 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ncccn1 ZINC000960504498 617290181 /nfs/dbraw/zinc/29/01/81/617290181.db2.gz VICOBXKDGUBZLD-STQMWFEESA-N 1 2 287.367 1.059 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ncccn1 ZINC000960504498 617290182 /nfs/dbraw/zinc/29/01/82/617290182.db2.gz VICOBXKDGUBZLD-STQMWFEESA-N 1 2 287.367 1.059 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC000950915286 612991092 /nfs/dbraw/zinc/99/10/92/612991092.db2.gz BWQWDSQAGCRBOF-CWRNSKLLSA-N 1 2 290.407 1.358 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccn3ccnc3c2)C1 ZINC000950861972 612992610 /nfs/dbraw/zinc/99/26/10/612992610.db2.gz HXRJFUKORYUIDI-UHFFFAOYSA-N 1 2 296.374 1.504 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2ncoc2CC)CC1 ZINC000980867018 613160808 /nfs/dbraw/zinc/16/08/08/613160808.db2.gz OYZAIALYPFJXAB-UHFFFAOYSA-N 1 2 261.325 1.018 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2ncoc2CC)CC1 ZINC000980867018 613160810 /nfs/dbraw/zinc/16/08/10/613160810.db2.gz OYZAIALYPFJXAB-UHFFFAOYSA-N 1 2 261.325 1.018 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C)SC)CC2)C1 ZINC000949303977 613210267 /nfs/dbraw/zinc/21/02/67/613210267.db2.gz BDNYPGQTIUJFQE-ZDUSSCGKSA-N 1 2 296.436 1.065 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)SC)CC2)C1 ZINC000949303977 613210269 /nfs/dbraw/zinc/21/02/69/613210269.db2.gz BDNYPGQTIUJFQE-ZDUSSCGKSA-N 1 2 296.436 1.065 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](F)CC)CC2)C1 ZINC000949441063 613210507 /nfs/dbraw/zinc/21/05/07/613210507.db2.gz MQWSUPPUAHJQII-ZDUSSCGKSA-N 1 2 282.359 1.061 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](F)CC)CC2)C1 ZINC000949441063 613210508 /nfs/dbraw/zinc/21/05/08/613210508.db2.gz MQWSUPPUAHJQII-ZDUSSCGKSA-N 1 2 282.359 1.061 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@H]3C[C@H]3C)CC2)C1 ZINC000949463124 613210543 /nfs/dbraw/zinc/21/05/43/613210543.db2.gz KGDVCFQJQYKPRK-HUUCEWRRSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C[C@H]3C[C@H]3C)CC2)C1 ZINC000949463124 613210544 /nfs/dbraw/zinc/21/05/44/613210544.db2.gz KGDVCFQJQYKPRK-HUUCEWRRSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccccc3C)C2)C1 ZINC000972235782 613212882 /nfs/dbraw/zinc/21/28/82/613212882.db2.gz WYGQCMUOKCOAHJ-GOSISDBHSA-N 1 2 298.386 1.545 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccccc3C)C2)C1 ZINC000972235782 613212883 /nfs/dbraw/zinc/21/28/83/613212883.db2.gz WYGQCMUOKCOAHJ-GOSISDBHSA-N 1 2 298.386 1.545 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3[nH]nnc3c2)[C@@H](C)C1 ZINC000944811921 613270018 /nfs/dbraw/zinc/27/00/18/613270018.db2.gz QDBSJWVBGMXRGJ-AAEUAGOBSA-N 1 2 297.362 1.031 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2ccc3[nH]nnc3c2)[C@@H](C)C1 ZINC000944811921 613270020 /nfs/dbraw/zinc/27/00/20/613270020.db2.gz QDBSJWVBGMXRGJ-AAEUAGOBSA-N 1 2 297.362 1.031 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCCO2)C1 ZINC000949896923 613294417 /nfs/dbraw/zinc/29/44/17/613294417.db2.gz LOHJPODHOZURNT-AWEZNQCLSA-N 1 2 266.385 1.664 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(F)cn2)C1 ZINC000949934425 613296525 /nfs/dbraw/zinc/29/65/25/613296525.db2.gz APXRYIVMAYZHGK-UHFFFAOYSA-N 1 2 277.343 1.943 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cn(CC)nc2C)C1 ZINC000952381579 613296931 /nfs/dbraw/zinc/29/69/31/613296931.db2.gz ZVCUPVXFAKPQSU-UHFFFAOYSA-N 1 2 290.411 1.934 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ncccc2OC)C1 ZINC000957320822 613297769 /nfs/dbraw/zinc/29/77/69/613297769.db2.gz OVSICOFSHADDHL-UHFFFAOYSA-N 1 2 289.379 1.813 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2cncs2)C(C)(C)C1 ZINC000972839054 613301443 /nfs/dbraw/zinc/30/14/43/613301443.db2.gz KHXQGUKRGHNELJ-NSHDSACASA-N 1 2 263.366 1.217 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)c2cncs2)C(C)(C)C1 ZINC000972839054 613301445 /nfs/dbraw/zinc/30/14/45/613301445.db2.gz KHXQGUKRGHNELJ-NSHDSACASA-N 1 2 263.366 1.217 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2csnn2)C1 ZINC000970222088 613371976 /nfs/dbraw/zinc/37/19/76/613371976.db2.gz CFJNFIDYSSLUPW-MRVPVSSYSA-N 1 2 286.788 1.341 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cnnn2C)C(C)(C)C1 ZINC000974543141 613380129 /nfs/dbraw/zinc/38/01/29/613380129.db2.gz YOYBCPQMUAWHAW-LLVKDONJSA-N 1 2 297.790 1.008 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cnnn2C)C(C)(C)C1 ZINC000974543141 613380130 /nfs/dbraw/zinc/38/01/30/613380130.db2.gz YOYBCPQMUAWHAW-LLVKDONJSA-N 1 2 297.790 1.008 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000981887829 613473215 /nfs/dbraw/zinc/47/32/15/613473215.db2.gz QFOODWYCGHJGBH-INIZCTEOSA-N 1 2 295.427 1.211 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000981887829 613473217 /nfs/dbraw/zinc/47/32/17/613473217.db2.gz QFOODWYCGHJGBH-INIZCTEOSA-N 1 2 295.427 1.211 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2c[nH]c3cccnc23)CC1 ZINC000957335109 613567094 /nfs/dbraw/zinc/56/70/94/613567094.db2.gz JSNUNYLYWOBYSV-UHFFFAOYSA-N 1 2 282.347 1.344 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](F)CC)C2)C1 ZINC000972496679 613570900 /nfs/dbraw/zinc/57/09/00/613570900.db2.gz IFSVEGYNSZFBMD-UKRRQHHQSA-N 1 2 282.359 1.061 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](F)CC)C2)C1 ZINC000972496679 613570904 /nfs/dbraw/zinc/57/09/04/613570904.db2.gz IFSVEGYNSZFBMD-UKRRQHHQSA-N 1 2 282.359 1.061 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C2(CF)CCOCC2)CC1 ZINC000950505729 613707172 /nfs/dbraw/zinc/70/71/72/613707172.db2.gz KNKGLXUVKRQVQI-UHFFFAOYSA-N 1 2 270.348 1.083 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2csc(C)n2)CC1 ZINC000951170047 613708380 /nfs/dbraw/zinc/70/83/80/613708380.db2.gz SVDZIEXVCIIEHH-UHFFFAOYSA-N 1 2 279.409 1.714 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C(F)(F)F)n[nH]2)CC1 ZINC000951749236 613714403 /nfs/dbraw/zinc/71/44/03/613714403.db2.gz ZFQUITLMWJPREE-UHFFFAOYSA-N 1 2 288.273 1.372 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3c(cc[nH]c3=O)n2)CC1 ZINC000948987811 613716153 /nfs/dbraw/zinc/71/61/53/613716153.db2.gz ICMKXUCBXMMHDD-UHFFFAOYSA-N 1 2 298.346 1.279 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C1 ZINC000972560756 613726040 /nfs/dbraw/zinc/72/60/40/613726040.db2.gz FLHKCQBCOKPUKN-IIAWOOMASA-N 1 2 294.395 1.043 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C1 ZINC000972560756 613726043 /nfs/dbraw/zinc/72/60/43/613726043.db2.gz FLHKCQBCOKPUKN-IIAWOOMASA-N 1 2 294.395 1.043 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc[nH]c3)C2)C1 ZINC000972392301 613726622 /nfs/dbraw/zinc/72/66/22/613726622.db2.gz VUFKETVFZPFBQC-OAHLLOKOSA-N 1 2 275.352 1.118 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc[nH]c3)C2)C1 ZINC000972392301 613726625 /nfs/dbraw/zinc/72/66/25/613726625.db2.gz VUFKETVFZPFBQC-OAHLLOKOSA-N 1 2 275.352 1.118 20 30 CDEDLO C#Cc1ccc(NC(=O)/C=C(/C)C[NH+]2CCOCC2)cc1 ZINC000891313700 617417887 /nfs/dbraw/zinc/41/78/87/617417887.db2.gz VKTMHBHYAFCHPS-OWBHPGMISA-N 1 2 284.359 1.885 20 30 CDEDLO CC[N@H+](CC(=O)N(C)C)Cc1csc(C#N)c1 ZINC000891612112 617503440 /nfs/dbraw/zinc/50/34/40/617503440.db2.gz LVNJJOYHZKXOEI-UHFFFAOYSA-N 1 2 251.355 1.530 20 30 CDEDLO CC[N@@H+](CC(=O)N(C)C)Cc1csc(C#N)c1 ZINC000891612112 617503442 /nfs/dbraw/zinc/50/34/42/617503442.db2.gz LVNJJOYHZKXOEI-UHFFFAOYSA-N 1 2 251.355 1.530 20 30 CDEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H]2CO)c1 ZINC000934015218 617851691 /nfs/dbraw/zinc/85/16/91/617851691.db2.gz SWDNMIYBOOFLLA-NSHDSACASA-N 1 2 281.153 1.887 20 30 CDEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H]2CO)c1 ZINC000934015218 617851694 /nfs/dbraw/zinc/85/16/94/617851694.db2.gz SWDNMIYBOOFLLA-NSHDSACASA-N 1 2 281.153 1.887 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(N(C)C)nc[nH+]1 ZINC000893660086 617809614 /nfs/dbraw/zinc/80/96/14/617809614.db2.gz TUWYBTMDTMFTOP-RISCZKNCSA-N 1 2 262.357 1.936 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(N(C)C)[nH+]cn1 ZINC000893660086 617809618 /nfs/dbraw/zinc/80/96/18/617809618.db2.gz TUWYBTMDTMFTOP-RISCZKNCSA-N 1 2 262.357 1.936 20 30 CDEDLO C#CC[C@@H]1CCCN(c2cc(N[C@H](CC)CO)[nH+]cn2)C1 ZINC000894348431 618808116 /nfs/dbraw/zinc/80/81/16/618808116.db2.gz BBRYDHUDMURUDS-ZIAGYGMSSA-N 1 2 288.395 1.899 20 30 CDEDLO C#CC[C@@H]1CCCN(c2cc(N[C@H](CC)CO)nc[nH+]2)C1 ZINC000894348431 618808118 /nfs/dbraw/zinc/80/81/18/618808118.db2.gz BBRYDHUDMURUDS-ZIAGYGMSSA-N 1 2 288.395 1.899 20 30 CDEDLO C#CC[C@@H](CCOC)Nc1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000894830672 619082866 /nfs/dbraw/zinc/08/28/66/619082866.db2.gz QRNFGVSSHLBBPF-STQMWFEESA-N 1 2 292.383 1.500 20 30 CDEDLO C#CC[C@@H](CCOC)Nc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000894830672 619082868 /nfs/dbraw/zinc/08/28/68/619082868.db2.gz QRNFGVSSHLBBPF-STQMWFEESA-N 1 2 292.383 1.500 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCCN1O ZINC000895191902 619442108 /nfs/dbraw/zinc/44/21/08/619442108.db2.gz CTJGTYYCMCWHSR-SNVBAGLBSA-N 1 2 299.714 1.718 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)C(C)(C)n2cnc(C)c2)CC1 ZINC000895887102 619885327 /nfs/dbraw/zinc/88/53/27/619885327.db2.gz YOYKYPJUJHGCLE-UHFFFAOYSA-N 1 2 288.395 1.094 20 30 CDEDLO C=C(CC)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897932327 621210182 /nfs/dbraw/zinc/21/01/82/621210182.db2.gz HFGKFRMMEFGBFY-CYBMUJFWSA-N 1 2 262.357 1.872 20 30 CDEDLO C=C(CC)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897932327 621210188 /nfs/dbraw/zinc/21/01/88/621210188.db2.gz HFGKFRMMEFGBFY-CYBMUJFWSA-N 1 2 262.357 1.872 20 30 CDEDLO CSCC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000902394469 624759067 /nfs/dbraw/zinc/75/90/67/624759067.db2.gz WVQPGBOLFLKERG-UHFFFAOYSA-N 1 2 277.393 1.752 20 30 CDEDLO N#Cc1sccc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000907526733 627699289 /nfs/dbraw/zinc/69/92/89/627699289.db2.gz SPHHJSNTCWFCFT-SECBINFHSA-N 1 2 272.333 1.561 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913457495 630488068 /nfs/dbraw/zinc/48/80/68/630488068.db2.gz SUHPGXYSUWNXBP-ZDUSSCGKSA-N 1 2 276.384 1.495 20 30 CDEDLO C=CCC1(C(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)CCC1 ZINC000913462214 630499426 /nfs/dbraw/zinc/49/94/26/630499426.db2.gz FTQWVAAUOWWJIT-AWEZNQCLSA-N 1 2 288.395 1.639 20 30 CDEDLO C#CCN(C(=O)NCCc1cn2c([nH+]1)CCCC2)C(C)C ZINC000914168131 631217573 /nfs/dbraw/zinc/21/75/73/631217573.db2.gz FRSFEJXORMJBPH-UHFFFAOYSA-N 1 2 288.395 1.815 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)CC(C)(C)C#N)C1 ZINC000914295494 631316547 /nfs/dbraw/zinc/31/65/47/631316547.db2.gz XPYPVDGWCJPBOO-NSHDSACASA-N 1 2 296.396 1.089 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)N[C@H](CC(C)C)C1=O)C(C)C ZINC000917481512 632221008 /nfs/dbraw/zinc/22/10/08/632221008.db2.gz MMGXDVVMNBIXAH-GFCCVEGCSA-N 1 2 267.373 1.807 20 30 CDEDLO C=CC[N@H+](CN1C(=O)N[C@H](CC(C)C)C1=O)C(C)C ZINC000917481512 632221020 /nfs/dbraw/zinc/22/10/20/632221020.db2.gz MMGXDVVMNBIXAH-GFCCVEGCSA-N 1 2 267.373 1.807 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)N[C@H](CCCC)C1=O)C(C)C ZINC000920757785 632836149 /nfs/dbraw/zinc/83/61/49/632836149.db2.gz HYEWIXPJVKDFRP-GFCCVEGCSA-N 1 2 267.373 1.951 20 30 CDEDLO C=CC[N@H+](CN1C(=O)N[C@H](CCCC)C1=O)C(C)C ZINC000920757785 632836153 /nfs/dbraw/zinc/83/61/53/632836153.db2.gz HYEWIXPJVKDFRP-GFCCVEGCSA-N 1 2 267.373 1.951 20 30 CDEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCCC)CC1 ZINC001131328122 1162863314 /nfs/dbraw/zinc/86/33/14/1162863314.db2.gz LLLPVPBJIKDAPO-UHFFFAOYSA-N 1 2 281.400 1.013 20 30 CDEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCCC)CC1 ZINC001131328122 1162863320 /nfs/dbraw/zinc/86/33/20/1162863320.db2.gz LLLPVPBJIKDAPO-UHFFFAOYSA-N 1 2 281.400 1.013 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N(CC)CCNc1cc[nH+]c(C)n1 ZINC001106744008 1161171969 /nfs/dbraw/zinc/17/19/69/1161171969.db2.gz AZTPDPICCBGCHP-HNNXBMFYSA-N 1 2 292.383 1.373 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCC[NH2+]Cc1nncs1)OCC ZINC001128540243 1161495027 /nfs/dbraw/zinc/49/50/27/1161495027.db2.gz SVVVTFAHFZOEHD-LLVKDONJSA-N 1 2 298.412 1.115 20 30 CDEDLO Cc1nc(N[C@H](C)[C@@H](C)NC(=O)CSCC#N)cc[nH+]1 ZINC001112911063 1162058091 /nfs/dbraw/zinc/05/80/91/1162058091.db2.gz LTMGJLNITCLEOB-NXEZZACHSA-N 1 2 293.396 1.347 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](C)OC[C@@H]2CCCO2)CC1 ZINC001113718602 1162265825 /nfs/dbraw/zinc/26/58/25/1162265825.db2.gz HIOSQPWLEISVEF-CABCVRRESA-N 1 2 296.411 1.291 20 30 CDEDLO CC#CCCCC(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001132602063 1163389161 /nfs/dbraw/zinc/38/91/61/1163389161.db2.gz USULWRBPAKSOOU-NSHDSACASA-N 1 2 278.356 1.338 20 30 CDEDLO COc1cccc([C@@H]2CN(C(=O)[C@H](C)C#N)CC[NH2+]2)c1 ZINC000870149301 1165144259 /nfs/dbraw/zinc/14/42/59/1165144259.db2.gz HTSUZXGEJJMGJD-RISCZKNCSA-N 1 2 273.336 1.328 20 30 CDEDLO N#CCOc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3=O)cc1 ZINC001137123961 1166065809 /nfs/dbraw/zinc/06/58/09/1166065809.db2.gz JELFBIMYLQJIMX-OKILXGFUSA-N 1 2 286.331 1.236 20 30 CDEDLO N#CCOc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)C3=O)cc1 ZINC001137123961 1166065815 /nfs/dbraw/zinc/06/58/15/1166065815.db2.gz JELFBIMYLQJIMX-OKILXGFUSA-N 1 2 286.331 1.236 20 30 CDEDLO C[NH+]1CCN(C(=O)[C@@H](C#N)Cc2cccs2)CC1 ZINC000049854172 1166596584 /nfs/dbraw/zinc/59/65/84/1166596584.db2.gz RYXRJEWUJQODQR-LLVKDONJSA-N 1 2 263.366 1.204 20 30 CDEDLO N#CCOc1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC001361694858 1167519173 /nfs/dbraw/zinc/51/91/73/1167519173.db2.gz GHBQOOWKRVJEGY-UHFFFAOYSA-N 1 2 270.292 1.883 20 30 CDEDLO C=C[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001588515908 1173071139 /nfs/dbraw/zinc/07/11/39/1173071139.db2.gz KQLIITJXKAEDIZ-BDAKNGLRSA-N 1 2 259.313 1.797 20 30 CDEDLO N#CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001598158268 1174309176 /nfs/dbraw/zinc/30/91/76/1174309176.db2.gz PUGGWIAHUUXMRX-UHFFFAOYSA-N 1 2 254.293 1.710 20 30 CDEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccncc2-c2nn[nH]n2)C1 ZINC001603736220 1175610949 /nfs/dbraw/zinc/61/09/49/1175610949.db2.gz HYMUHAPIFAJNKC-AWEZNQCLSA-N 1 2 283.339 1.387 20 30 CDEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccncc2-c2nn[nH]n2)C1 ZINC001603736220 1175610954 /nfs/dbraw/zinc/61/09/54/1175610954.db2.gz HYMUHAPIFAJNKC-AWEZNQCLSA-N 1 2 283.339 1.387 20 30 CDEDLO N#Cc1ccccc1OC[C@@H](O)C[NH2+]CC(F)F ZINC000136595311 1175830015 /nfs/dbraw/zinc/83/00/15/1175830015.db2.gz SZEGGVLKRGTLRQ-JTQLQIEISA-N 1 2 256.252 1.153 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccn[nH]1 ZINC001725152108 1181884239 /nfs/dbraw/zinc/88/42/39/1181884239.db2.gz AISIDLKWDKTFOS-SECBINFHSA-N 1 2 256.737 1.212 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccn[nH]1 ZINC001725152108 1181884243 /nfs/dbraw/zinc/88/42/43/1181884243.db2.gz AISIDLKWDKTFOS-SECBINFHSA-N 1 2 256.737 1.212 20 30 CDEDLO CC#CC[NH+]1CCC(N(C)C(=O)C(F)C(F)(F)F)CC1 ZINC001752301029 1184850397 /nfs/dbraw/zinc/85/03/97/1184850397.db2.gz AUXGJARCKVAWTI-LLVKDONJSA-N 1 2 294.292 1.833 20 30 CDEDLO CC#CC[NH+]1CCC(N(C)C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001752301029 1184850405 /nfs/dbraw/zinc/85/04/05/1184850405.db2.gz AUXGJARCKVAWTI-LLVKDONJSA-N 1 2 294.292 1.833 20 30 CDEDLO CC(C)c1noc(C[NH2+][C@@H](C)CNC(=O)C#CC2CC2)n1 ZINC001752868422 1184943233 /nfs/dbraw/zinc/94/32/33/1184943233.db2.gz AGWTUTCAGZEBAV-NSHDSACASA-N 1 2 290.367 1.201 20 30 CDEDLO C=C(C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1cn(C)nn1 ZINC001753105702 1185064874 /nfs/dbraw/zinc/06/48/74/1185064874.db2.gz HRYJYKGVRLDGAL-AWEZNQCLSA-N 1 2 291.399 1.252 20 30 CDEDLO C=C(C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cn(C)nn1 ZINC001753105702 1185064882 /nfs/dbraw/zinc/06/48/82/1185064882.db2.gz HRYJYKGVRLDGAL-AWEZNQCLSA-N 1 2 291.399 1.252 20 30 CDEDLO C=C1CC(C)(C(=O)N(C)CC[N@@H+](C)CC(=O)NCCC)C1 ZINC001753863445 1185368744 /nfs/dbraw/zinc/36/87/44/1185368744.db2.gz XQUPJNIBWBHCET-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO C=C1CC(C)(C(=O)N(C)CC[N@H+](C)CC(=O)NCCC)C1 ZINC001753863445 1185368750 /nfs/dbraw/zinc/36/87/50/1185368750.db2.gz XQUPJNIBWBHCET-UHFFFAOYSA-N 1 2 295.427 1.259 20 30 CDEDLO CCCC(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1CC#CCOC ZINC001754492469 1185640116 /nfs/dbraw/zinc/64/01/16/1185640116.db2.gz CRMHOYNCZPFWHM-AWEZNQCLSA-N 1 2 280.412 1.653 20 30 CDEDLO CCCC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1CC#CCOC ZINC001754492469 1185640120 /nfs/dbraw/zinc/64/01/20/1185640120.db2.gz CRMHOYNCZPFWHM-AWEZNQCLSA-N 1 2 280.412 1.653 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1COCC[N@H+]1CC ZINC001754969510 1185773360 /nfs/dbraw/zinc/77/33/60/1185773360.db2.gz APORBODILUZEBM-LBPRGKRZSA-N 1 2 254.374 1.426 20 30 CDEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1COCC[N@@H+]1CC ZINC001754969510 1185773364 /nfs/dbraw/zinc/77/33/64/1185773364.db2.gz APORBODILUZEBM-LBPRGKRZSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)CC(C)(C)C)C1 ZINC001755369823 1185929381 /nfs/dbraw/zinc/92/93/81/1185929381.db2.gz DWUZAMIREQZTLN-LBPRGKRZSA-N 1 2 295.427 1.161 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([NH2+]Cc2nc(CC)no2)[C@H]1C ZINC001755652495 1186024624 /nfs/dbraw/zinc/02/46/24/1186024624.db2.gz WNMQSNAUPBLIIS-NEPJUHHUSA-N 1 2 292.383 1.677 20 30 CDEDLO COc1ncc(NC(=O)N2CCn3c[nH+]cc3C2)cc1C#N ZINC001771954508 1186979165 /nfs/dbraw/zinc/97/91/65/1186979165.db2.gz ZAHSNMNCGDNPNT-UHFFFAOYSA-N 1 2 298.306 1.206 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCC(=O)NCC(C)(C)C)ccc1F ZINC000863455496 697626912 /nfs/dbraw/zinc/62/69/12/697626912.db2.gz KIKDZMJSXIOAGG-UHFFFAOYSA-N 1 2 295.358 1.933 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@]23CCOC3)CC1 ZINC000989435558 697629366 /nfs/dbraw/zinc/62/93/66/697629366.db2.gz HLHKNHMRUSSSOV-ZFWWWQNUSA-N 1 2 298.814 1.700 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@]23CCOC3)CC1 ZINC000989435558 697629367 /nfs/dbraw/zinc/62/93/67/697629367.db2.gz HLHKNHMRUSSSOV-ZFWWWQNUSA-N 1 2 298.814 1.700 20 30 CDEDLO COc1cc(C#N)ccc1C(=O)NCCCn1cc[nH+]c1 ZINC000929157936 697665023 /nfs/dbraw/zinc/66/50/23/697665023.db2.gz XVUIBVSHSBGPSQ-UHFFFAOYSA-N 1 2 284.319 1.583 20 30 CDEDLO CC[C@H](C#N)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000845352282 697703178 /nfs/dbraw/zinc/70/31/78/697703178.db2.gz VKGJIIVREZDMFJ-LLVKDONJSA-N 1 2 261.325 1.873 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c(C)cncc2C)C1 ZINC001030674041 697734098 /nfs/dbraw/zinc/73/40/98/697734098.db2.gz UFXRCAFCSFQZPK-UHFFFAOYSA-N 1 2 259.353 1.689 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cn1 ZINC000779095935 697742056 /nfs/dbraw/zinc/74/20/56/697742056.db2.gz NGPIDPJZADMBBE-ZDUSSCGKSA-N 1 2 266.304 1.004 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ncc(F)cc1F ZINC001038406536 697764997 /nfs/dbraw/zinc/76/49/97/697764997.db2.gz APPLTOQWBFUWOR-JTQLQIEISA-N 1 2 267.279 1.350 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ncc(F)cc1F ZINC001038406536 697765004 /nfs/dbraw/zinc/76/50/04/697765004.db2.gz APPLTOQWBFUWOR-JTQLQIEISA-N 1 2 267.279 1.350 20 30 CDEDLO C#CCOCC[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000784079046 697777030 /nfs/dbraw/zinc/77/70/30/697777030.db2.gz ICBOWCINHXJXCI-JTQLQIEISA-N 1 2 251.330 1.668 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C2CCC2)C1 ZINC001073505946 697798733 /nfs/dbraw/zinc/79/87/33/697798733.db2.gz KRUWGMPCWHGEAL-CYBMUJFWSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C2CCC2)C1 ZINC001073505946 697798740 /nfs/dbraw/zinc/79/87/40/697798740.db2.gz KRUWGMPCWHGEAL-CYBMUJFWSA-N 1 2 286.803 1.746 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)C#Cc1ccccc1 ZINC000121477135 697804220 /nfs/dbraw/zinc/80/42/20/697804220.db2.gz GCPSVRUHNBSFGK-UHFFFAOYSA-N 1 2 253.305 1.131 20 30 CDEDLO C=C(C)[C@@H](CC(=O)OCC[N@@H+]1CCO[C@H](C)C1)OCC ZINC000800189112 697806659 /nfs/dbraw/zinc/80/66/59/697806659.db2.gz FRNSYHMGPBETNO-ZIAGYGMSSA-N 1 2 285.384 1.622 20 30 CDEDLO C=C(C)[C@@H](CC(=O)OCC[N@H+]1CCO[C@H](C)C1)OCC ZINC000800189112 697806660 /nfs/dbraw/zinc/80/66/60/697806660.db2.gz FRNSYHMGPBETNO-ZIAGYGMSSA-N 1 2 285.384 1.622 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)ccn1 ZINC001017784850 697833922 /nfs/dbraw/zinc/83/39/22/697833922.db2.gz LRBPRDCELGSYSR-BETUJISGSA-N 1 2 285.347 1.012 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)ccn1 ZINC001017784850 697833926 /nfs/dbraw/zinc/83/39/26/697833926.db2.gz LRBPRDCELGSYSR-BETUJISGSA-N 1 2 285.347 1.012 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@H+](CCCF)[C@@H]2C1 ZINC001074311610 697847472 /nfs/dbraw/zinc/84/74/72/697847472.db2.gz AGBYWWPBDGIKEW-KGLIPLIRSA-N 1 2 298.402 1.860 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@@H+](CCCF)[C@@H]2C1 ZINC001074311610 697847474 /nfs/dbraw/zinc/84/74/74/697847474.db2.gz AGBYWWPBDGIKEW-KGLIPLIRSA-N 1 2 298.402 1.860 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2CC=CC2)C1 ZINC001035316493 697852054 /nfs/dbraw/zinc/85/20/54/697852054.db2.gz KYBRQPJWAPCWOV-AWEZNQCLSA-N 1 2 264.369 1.346 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C2CC=CC2)C1 ZINC001035316493 697852057 /nfs/dbraw/zinc/85/20/57/697852057.db2.gz KYBRQPJWAPCWOV-AWEZNQCLSA-N 1 2 264.369 1.346 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2ccsc2C)C1 ZINC001031055102 697862406 /nfs/dbraw/zinc/86/24/06/697862406.db2.gz DTYKETSNCVZNTJ-UHFFFAOYSA-N 1 2 250.367 1.585 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@@H](OC)C2)C1 ZINC001043150739 697863697 /nfs/dbraw/zinc/86/36/97/697863697.db2.gz PYIODCQPKVEICL-WCQYABFASA-N 1 2 252.358 1.130 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2[nH]c(C)nc2C)C1 ZINC001033436597 697887023 /nfs/dbraw/zinc/88/70/23/697887023.db2.gz ZSONYOPESDDVTG-GFCCVEGCSA-N 1 2 296.802 1.925 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2[nH]c(C)nc2C)C1 ZINC001033436597 697887024 /nfs/dbraw/zinc/88/70/24/697887024.db2.gz ZSONYOPESDDVTG-GFCCVEGCSA-N 1 2 296.802 1.925 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1onc2c1CCCC2 ZINC001038505711 697898509 /nfs/dbraw/zinc/89/85/09/697898509.db2.gz NIVOKDLTQSRWSA-GFCCVEGCSA-N 1 2 287.363 1.381 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1onc2c1CCCC2 ZINC001038505711 697898510 /nfs/dbraw/zinc/89/85/10/697898510.db2.gz NIVOKDLTQSRWSA-GFCCVEGCSA-N 1 2 287.363 1.381 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001015821603 697932913 /nfs/dbraw/zinc/93/29/13/697932913.db2.gz XWQAOISRLMBTHW-RWMBFGLXSA-N 1 2 268.788 1.976 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001015821603 697932919 /nfs/dbraw/zinc/93/29/19/697932919.db2.gz XWQAOISRLMBTHW-RWMBFGLXSA-N 1 2 268.788 1.976 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2Cc3cccnc3C2)C1 ZINC001044231355 697935980 /nfs/dbraw/zinc/93/59/80/697935980.db2.gz OWSRKSGLWJZNNK-CQSZACIVSA-N 1 2 285.391 1.515 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@@H]3OCC)cc2C1 ZINC001054257427 697945769 /nfs/dbraw/zinc/94/57/69/697945769.db2.gz ILEUNSWLVBLXJP-IRXDYDNUSA-N 1 2 298.386 1.677 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@@H]3OCC)cc2C1 ZINC001054257427 697945774 /nfs/dbraw/zinc/94/57/74/697945774.db2.gz ILEUNSWLVBLXJP-IRXDYDNUSA-N 1 2 298.386 1.677 20 30 CDEDLO C=C[C@@](C)(O)c1cn(Cc2[nH+]ccn2CC(F)F)nn1 ZINC000881361949 697968435 /nfs/dbraw/zinc/96/84/35/697968435.db2.gz HKQJBRQAXPUKKX-GFCCVEGCSA-N 1 2 283.282 1.182 20 30 CDEDLO C#CCOCC[NH2+][C@@]1(C(=O)OC)CC[C@H](C)CC1 ZINC000852471875 698000251 /nfs/dbraw/zinc/00/02/51/698000251.db2.gz MGPNKKOHPVRQJK-MQMHXKEQSA-N 1 2 253.342 1.348 20 30 CDEDLO C=CC[N@H+](CN1C[C@@]2(CCOC2)CC1=O)[C@@H](C)COC ZINC000853534615 698045298 /nfs/dbraw/zinc/04/52/98/698045298.db2.gz KTYNPKRNQBELOH-DZGCQCFKSA-N 1 2 282.384 1.106 20 30 CDEDLO C=CC[N@@H+](CN1C[C@@]2(CCOC2)CC1=O)[C@@H](C)COC ZINC000853534615 698045306 /nfs/dbraw/zinc/04/53/06/698045306.db2.gz KTYNPKRNQBELOH-DZGCQCFKSA-N 1 2 282.384 1.106 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(F)cc(F)cc1F ZINC001038661182 698046590 /nfs/dbraw/zinc/04/65/90/698046590.db2.gz SELWNPKZFGUBAW-NSHDSACASA-N 1 2 296.292 1.931 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1c(F)cc(F)cc1F ZINC001038661182 698046595 /nfs/dbraw/zinc/04/65/95/698046595.db2.gz SELWNPKZFGUBAW-NSHDSACASA-N 1 2 296.292 1.931 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cncc(Cl)c1C ZINC001038365425 698095746 /nfs/dbraw/zinc/09/57/46/698095746.db2.gz CUCBKCKWOGYUTK-NSHDSACASA-N 1 2 277.755 1.481 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cncc(Cl)c1C ZINC001038365425 698095752 /nfs/dbraw/zinc/09/57/52/698095752.db2.gz CUCBKCKWOGYUTK-NSHDSACASA-N 1 2 277.755 1.481 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2COc3ccccc32)C1 ZINC001044366694 698111284 /nfs/dbraw/zinc/11/12/84/698111284.db2.gz JYASAOCQZLDPRP-OAHLLOKOSA-N 1 2 286.375 1.881 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccccc1 ZINC001018209549 698119560 /nfs/dbraw/zinc/11/95/60/698119560.db2.gz VIQUJUWEGOZSHD-CALCHBBNSA-N 1 2 282.387 1.928 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccccc1 ZINC001018209549 698119584 /nfs/dbraw/zinc/11/95/84/698119584.db2.gz VIQUJUWEGOZSHD-CALCHBBNSA-N 1 2 282.387 1.928 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc(-n2cccc2)c1 ZINC001038380810 698179280 /nfs/dbraw/zinc/17/92/80/698179280.db2.gz HTBGZGZPMPQXDP-HNNXBMFYSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc(-n2cccc2)c1 ZINC001038380810 698179289 /nfs/dbraw/zinc/17/92/89/698179289.db2.gz HTBGZGZPMPQXDP-HNNXBMFYSA-N 1 2 294.358 1.310 20 30 CDEDLO CC(=NN(C)C[C@@H](C)O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000841651668 698219977 /nfs/dbraw/zinc/21/99/77/698219977.db2.gz IITYWKLMBQFPCJ-GFCCVEGCSA-N 1 2 272.352 1.909 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1nccc(C)n1 ZINC001027850326 698230751 /nfs/dbraw/zinc/23/07/51/698230751.db2.gz PLNDQNHQBSNEFZ-GFCCVEGCSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1nccc(C)n1 ZINC001027850326 698230762 /nfs/dbraw/zinc/23/07/62/698230762.db2.gz PLNDQNHQBSNEFZ-GFCCVEGCSA-N 1 2 294.786 1.732 20 30 CDEDLO C=CCCNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000852486719 698238806 /nfs/dbraw/zinc/23/88/06/698238806.db2.gz CYZGTHLIZCRDGM-LBPRGKRZSA-N 1 2 262.357 1.885 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2ccon2)[C@H]1C ZINC000993162033 698253179 /nfs/dbraw/zinc/25/31/79/698253179.db2.gz UEFCFCISRBDMMO-YPMHNXCESA-N 1 2 297.786 1.939 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccon2)[C@H]1C ZINC000993162033 698253186 /nfs/dbraw/zinc/25/31/86/698253186.db2.gz UEFCFCISRBDMMO-YPMHNXCESA-N 1 2 297.786 1.939 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C=C)cc1 ZINC001032643691 698270853 /nfs/dbraw/zinc/27/08/53/698270853.db2.gz JZOCRVFDRORARR-HOTGVXAUSA-N 1 2 266.344 1.862 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C=C)cc1 ZINC001032643691 698270854 /nfs/dbraw/zinc/27/08/54/698270854.db2.gz JZOCRVFDRORARR-HOTGVXAUSA-N 1 2 266.344 1.862 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)C1 ZINC001031064497 698286315 /nfs/dbraw/zinc/28/63/15/698286315.db2.gz CWKTWLVFQPXWAB-GVDBMIGSSA-N 1 2 280.371 1.396 20 30 CDEDLO Cc1nnc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H](C)C#N)o1 ZINC001024902672 698320212 /nfs/dbraw/zinc/32/02/12/698320212.db2.gz XMUQHVDSBYFWNH-CMPLNLGQSA-N 1 2 291.355 1.008 20 30 CDEDLO CC(C)[C@@H](O)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004434836 698325286 /nfs/dbraw/zinc/32/52/86/698325286.db2.gz LEBONXYEZIQUOM-LSDHHAIUSA-N 1 2 293.411 1.230 20 30 CDEDLO CC(C)[C@@H](O)C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004434836 698325289 /nfs/dbraw/zinc/32/52/89/698325289.db2.gz LEBONXYEZIQUOM-LSDHHAIUSA-N 1 2 293.411 1.230 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)c2ccco2)CC1 ZINC000837521828 698325649 /nfs/dbraw/zinc/32/56/49/698325649.db2.gz RPCWURLPBHPFRA-GFCCVEGCSA-N 1 2 289.331 1.739 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001031410832 698334899 /nfs/dbraw/zinc/33/48/99/698334899.db2.gz MSIHUWLKJULBTL-NSHDSACASA-N 1 2 292.329 1.892 20 30 CDEDLO C=C(Br)CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000777469863 698342936 /nfs/dbraw/zinc/34/29/36/698342936.db2.gz BVOZAHWYEYHCIN-SECBINFHSA-N 1 2 299.172 1.406 20 30 CDEDLO N#CCCNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000426429935 698343186 /nfs/dbraw/zinc/34/31/86/698343186.db2.gz LDVVXFLQRFEUHR-XBXARRHUSA-N 1 2 298.390 1.941 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1oc(CC)cc1C ZINC001038913769 698357915 /nfs/dbraw/zinc/35/79/15/698357915.db2.gz LJLFLQOOXJBHAR-CYBMUJFWSA-N 1 2 274.364 1.978 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1oc(CC)cc1C ZINC001038913769 698357917 /nfs/dbraw/zinc/35/79/17/698357917.db2.gz LJLFLQOOXJBHAR-CYBMUJFWSA-N 1 2 274.364 1.978 20 30 CDEDLO CCN(C)C(=O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879585671 698373475 /nfs/dbraw/zinc/37/34/75/698373475.db2.gz NIRXBOOWAFCNTC-UHFFFAOYSA-N 1 2 286.379 1.159 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ncccn2)[C@H]1C ZINC000994075808 698381981 /nfs/dbraw/zinc/38/19/81/698381981.db2.gz YARQBRKOJDIWRT-NEPJUHHUSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ncccn2)[C@H]1C ZINC000994075808 698381985 /nfs/dbraw/zinc/38/19/85/698381985.db2.gz YARQBRKOJDIWRT-NEPJUHHUSA-N 1 2 294.786 1.812 20 30 CDEDLO COC(=O)C1([NH2+]C[C@H](O)CC2(C#N)CCC2)CCCCC1 ZINC000886015063 698387503 /nfs/dbraw/zinc/38/75/03/698387503.db2.gz VDRHOGIKYZNDSP-CYBMUJFWSA-N 1 2 294.395 1.897 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1=CCCC1)CO2 ZINC001053773515 698401883 /nfs/dbraw/zinc/40/18/83/698401883.db2.gz JITMACLZXWRFBG-AWEZNQCLSA-N 1 2 276.380 1.632 20 30 CDEDLO C[C@H](c1cnccn1)[N@@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC000981126408 698402287 /nfs/dbraw/zinc/40/22/87/698402287.db2.gz UHCNLKLUBVPBEG-CQSZACIVSA-N 1 2 298.390 1.485 20 30 CDEDLO C[C@H](c1cnccn1)[N@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC000981126408 698402291 /nfs/dbraw/zinc/40/22/91/698402291.db2.gz UHCNLKLUBVPBEG-CQSZACIVSA-N 1 2 298.390 1.485 20 30 CDEDLO COc1ccc(CNC(=O)NCc2c[nH+]cn2C)cc1C#N ZINC000811895868 698411762 /nfs/dbraw/zinc/41/17/62/698411762.db2.gz BOGPQXKSEZJVPO-UHFFFAOYSA-N 1 2 299.334 1.300 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001015756359 698429820 /nfs/dbraw/zinc/42/98/20/698429820.db2.gz JXLYIZDVPNVQHF-MNOVXSKESA-N 1 2 254.761 1.730 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001015756359 698429829 /nfs/dbraw/zinc/42/98/29/698429829.db2.gz JXLYIZDVPNVQHF-MNOVXSKESA-N 1 2 254.761 1.730 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C)cc3cn[nH]c32)C1 ZINC001044050433 698431647 /nfs/dbraw/zinc/43/16/47/698431647.db2.gz YENFBRUXNOFFOC-UHFFFAOYSA-N 1 2 296.374 1.651 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC001044050433 698431663 /nfs/dbraw/zinc/43/16/63/698431663.db2.gz YENFBRUXNOFFOC-UHFFFAOYSA-N 1 2 296.374 1.651 20 30 CDEDLO Cc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1C#N ZINC000799723310 698466704 /nfs/dbraw/zinc/46/67/04/698466704.db2.gz DMUANBCPRFDBNR-CQSZACIVSA-N 1 2 280.331 1.808 20 30 CDEDLO Cc1nc(CO[NH+]=C(N)Cc2cccnc2)oc1C ZINC000128425968 698507072 /nfs/dbraw/zinc/50/70/72/698507072.db2.gz ZRESWLRLRNJKJK-UHFFFAOYSA-N 1 2 260.297 1.718 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(CCOC)ccn1 ZINC000804390151 698513553 /nfs/dbraw/zinc/51/35/53/698513553.db2.gz YNFSRHZFWROZAL-AWEZNQCLSA-N 1 2 287.363 1.307 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(CCOC)ccn1 ZINC000804390151 698513563 /nfs/dbraw/zinc/51/35/63/698513563.db2.gz YNFSRHZFWROZAL-AWEZNQCLSA-N 1 2 287.363 1.307 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039068380 698521256 /nfs/dbraw/zinc/52/12/56/698521256.db2.gz UFAUZKNLRVMMTD-ZDUSSCGKSA-N 1 2 299.334 1.286 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039068380 698521259 /nfs/dbraw/zinc/52/12/59/698521259.db2.gz UFAUZKNLRVMMTD-ZDUSSCGKSA-N 1 2 299.334 1.286 20 30 CDEDLO C=CCCCNC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875545227 698525900 /nfs/dbraw/zinc/52/59/00/698525900.db2.gz RBIPAVCBCZWIML-CYBMUJFWSA-N 1 2 269.389 1.363 20 30 CDEDLO C=CCCCNC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875545227 698525906 /nfs/dbraw/zinc/52/59/06/698525906.db2.gz RBIPAVCBCZWIML-CYBMUJFWSA-N 1 2 269.389 1.363 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(Cl)n[nH]c1CC ZINC001038329824 698533925 /nfs/dbraw/zinc/53/39/25/698533925.db2.gz DCYAWYLWRHDZGT-SECBINFHSA-N 1 2 280.759 1.063 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(Cl)n[nH]c1CC ZINC001038329824 698533934 /nfs/dbraw/zinc/53/39/34/698533934.db2.gz DCYAWYLWRHDZGT-SECBINFHSA-N 1 2 280.759 1.063 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000854043583 698543645 /nfs/dbraw/zinc/54/36/45/698543645.db2.gz NJFYVRHYFUJPLE-JSGCOSHPSA-N 1 2 271.364 1.602 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000854043583 698543654 /nfs/dbraw/zinc/54/36/54/698543654.db2.gz NJFYVRHYFUJPLE-JSGCOSHPSA-N 1 2 271.364 1.602 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccccc3)C[C@@H]21 ZINC001074148441 698563670 /nfs/dbraw/zinc/56/36/70/698563670.db2.gz VIACZIPPNFBEQA-DLBZAZTESA-N 1 2 298.386 1.625 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccccc3)C[C@@H]21 ZINC001074148441 698563679 /nfs/dbraw/zinc/56/36/79/698563679.db2.gz VIACZIPPNFBEQA-DLBZAZTESA-N 1 2 298.386 1.625 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(F)(F)CC1 ZINC000796539170 698586106 /nfs/dbraw/zinc/58/61/06/698586106.db2.gz KOLVFUJBJYHPBM-GFCCVEGCSA-N 1 2 273.327 1.772 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1OC(C)C ZINC001038946557 698629009 /nfs/dbraw/zinc/62/90/09/698629009.db2.gz FXBZUSDQYGFZJP-AWEZNQCLSA-N 1 2 286.375 1.911 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1OC(C)C ZINC001038946557 698629016 /nfs/dbraw/zinc/62/90/16/698629016.db2.gz FXBZUSDQYGFZJP-AWEZNQCLSA-N 1 2 286.375 1.911 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C1CC(OCC)C1 ZINC001050901434 698662462 /nfs/dbraw/zinc/66/24/62/698662462.db2.gz AYDOOOVQVDZKHS-SHARSMKWSA-N 1 2 296.411 1.195 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C1CC(OCC)C1 ZINC001050901434 698662470 /nfs/dbraw/zinc/66/24/70/698662470.db2.gz AYDOOOVQVDZKHS-SHARSMKWSA-N 1 2 296.411 1.195 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)c(F)cc1F ZINC001038640465 698729594 /nfs/dbraw/zinc/72/95/94/698729594.db2.gz WKOAVNHJKKKMLY-JTQLQIEISA-N 1 2 296.292 1.931 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(F)c(F)cc1F ZINC001038640465 698729616 /nfs/dbraw/zinc/72/96/16/698729616.db2.gz WKOAVNHJKKKMLY-JTQLQIEISA-N 1 2 296.292 1.931 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC23CC3)C1 ZINC001032009353 698735724 /nfs/dbraw/zinc/73/57/24/698735724.db2.gz VSMPPHHPTVHYKB-NSHDSACASA-N 1 2 254.761 1.587 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001043058393 698749963 /nfs/dbraw/zinc/74/99/63/698749963.db2.gz CBNZSYOKVJYOPE-UHFFFAOYSA-N 1 2 288.395 1.093 20 30 CDEDLO C#C[C@H]([NH2+]Cc1cc(C(=O)OC)co1)[C@@H]1CCCO1 ZINC000775789694 698758008 /nfs/dbraw/zinc/75/80/08/698758008.db2.gz MYKVLEJYLZQTNR-STQMWFEESA-N 1 2 263.293 1.337 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CCO[C@H](CC)C2)C1 ZINC001031217719 698800838 /nfs/dbraw/zinc/80/08/38/698800838.db2.gz OKZKZIYKCDWEKS-UKRRQHHQSA-N 1 2 278.396 1.405 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(CCC)c1 ZINC001032460395 698802183 /nfs/dbraw/zinc/80/21/83/698802183.db2.gz KXWJFYGQCBKKJO-IRXDYDNUSA-N 1 2 297.402 1.956 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(CCC)c1 ZINC001032460395 698802184 /nfs/dbraw/zinc/80/21/84/698802184.db2.gz KXWJFYGQCBKKJO-IRXDYDNUSA-N 1 2 297.402 1.956 20 30 CDEDLO COc1ccc(O)c(/C=[NH+]/CCCNC(=O)C(C)C)c1 ZINC000157168083 698802903 /nfs/dbraw/zinc/80/29/03/698802903.db2.gz LDIZILOZXAPZFP-MHWRWJLKSA-N 1 2 278.352 1.982 20 30 CDEDLO N#CCN[C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001020441581 698807017 /nfs/dbraw/zinc/80/70/17/698807017.db2.gz CGSQRSZIBFGFDY-HDJSIYSDSA-N 1 2 295.346 1.246 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COc2ccccc21 ZINC001032816001 698808995 /nfs/dbraw/zinc/80/89/95/698808995.db2.gz WQWNUEAJYLRUDQ-OFQRWUPVSA-N 1 2 296.370 1.471 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COc2ccccc21 ZINC001032816001 698808996 /nfs/dbraw/zinc/80/89/96/698808996.db2.gz WQWNUEAJYLRUDQ-OFQRWUPVSA-N 1 2 296.370 1.471 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccnc1 ZINC001029244094 698810476 /nfs/dbraw/zinc/81/04/76/698810476.db2.gz XIZBYJQLDVCNDB-AEGPPILISA-N 1 2 284.363 1.416 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccnc1 ZINC001029244094 698810478 /nfs/dbraw/zinc/81/04/78/698810478.db2.gz XIZBYJQLDVCNDB-AEGPPILISA-N 1 2 284.363 1.416 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CO)c2ccccc21 ZINC000817789563 698839769 /nfs/dbraw/zinc/83/97/69/698839769.db2.gz HAURKYKAWPUYMW-BBRMVZONSA-N 1 2 284.359 1.207 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CO)c2ccccc21 ZINC000817789563 698839770 /nfs/dbraw/zinc/83/97/70/698839770.db2.gz HAURKYKAWPUYMW-BBRMVZONSA-N 1 2 284.359 1.207 20 30 CDEDLO CC(C)OCC[NH+]1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC000837447629 698842307 /nfs/dbraw/zinc/84/23/07/698842307.db2.gz SEFQFKLTDBOZAT-UHFFFAOYSA-N 1 2 280.412 1.605 20 30 CDEDLO Cc1nc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)oc1C ZINC000971219123 698853000 /nfs/dbraw/zinc/85/30/00/698853000.db2.gz WTMLNGGSTTUPGS-GWCFXTLKSA-N 1 2 290.367 1.484 20 30 CDEDLO Cc1nc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)oc1C ZINC000971219123 698853004 /nfs/dbraw/zinc/85/30/04/698853004.db2.gz WTMLNGGSTTUPGS-GWCFXTLKSA-N 1 2 290.367 1.484 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2CCOC[C@@H]2OCC)C1 ZINC001043377907 698857239 /nfs/dbraw/zinc/85/72/39/698857239.db2.gz XTOPPURQIXWGEG-ZFWWWQNUSA-N 1 2 296.411 1.147 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2nc(Cl)cs2)C1 ZINC001015610875 698858913 /nfs/dbraw/zinc/85/89/13/698858913.db2.gz FUBYHQIDICBXBY-QMMMGPOBSA-N 1 2 269.757 1.234 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2nc(Cl)cs2)C1 ZINC001015610875 698858908 /nfs/dbraw/zinc/85/89/08/698858908.db2.gz FUBYHQIDICBXBY-QMMMGPOBSA-N 1 2 269.757 1.234 20 30 CDEDLO C#CC[C@@H]([NH2+][C@H](C)C1CCSCC1)C(=O)OC ZINC000839167747 698871354 /nfs/dbraw/zinc/87/13/54/698871354.db2.gz HWQPZJSFPGYSCG-ZYHUDNBSSA-N 1 2 255.383 1.673 20 30 CDEDLO C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCc2cnn[nH]2)C1 ZINC000989460325 698886156 /nfs/dbraw/zinc/88/61/56/698886156.db2.gz APLUIPDOLCHYLF-ZYHUDNBSSA-N 1 2 297.790 1.069 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001030738830 698886463 /nfs/dbraw/zinc/88/64/63/698886463.db2.gz NSCQVOGVVJYEIB-GFCCVEGCSA-N 1 2 270.323 1.636 20 30 CDEDLO C=CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc3[nH]nnc3c2)C1 ZINC001033662095 698895792 /nfs/dbraw/zinc/89/57/92/698895792.db2.gz KJMMDBDXXLIMCT-LBPRGKRZSA-N 1 2 285.351 1.290 20 30 CDEDLO C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3[nH]nnc3c2)C1 ZINC001033662095 698895795 /nfs/dbraw/zinc/89/57/95/698895795.db2.gz KJMMDBDXXLIMCT-LBPRGKRZSA-N 1 2 285.351 1.290 20 30 CDEDLO C#CCCCS(=O)(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817141362 698898218 /nfs/dbraw/zinc/89/82/18/698898218.db2.gz HGGGHRKJEMANMI-UHFFFAOYSA-N 1 2 266.366 1.531 20 30 CDEDLO Cc1cc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@H](C)C#N)no1 ZINC000960493491 698957551 /nfs/dbraw/zinc/95/75/51/698957551.db2.gz KSOCBPWNOGBIPG-RISCZKNCSA-N 1 2 290.367 1.566 20 30 CDEDLO Cc1cc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@H](C)C#N)no1 ZINC000960493491 698957553 /nfs/dbraw/zinc/95/75/53/698957553.db2.gz KSOCBPWNOGBIPG-RISCZKNCSA-N 1 2 290.367 1.566 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccncn2)CC[C@@H]1C ZINC001071900816 698968396 /nfs/dbraw/zinc/96/83/96/698968396.db2.gz LQCLPEGVXBVJGE-NWDGAFQWSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccncn2)CC[C@@H]1C ZINC001071900816 698968402 /nfs/dbraw/zinc/96/84/02/698968402.db2.gz LQCLPEGVXBVJGE-NWDGAFQWSA-N 1 2 294.786 1.812 20 30 CDEDLO CC(=[NH+]NC1=NC[C@H](C)N1)c1c(C)cc(N)cc1C ZINC000884447630 704808826 /nfs/dbraw/zinc/80/88/26/704808826.db2.gz DUAJOXIQKLADMB-JTQLQIEISA-N 1 2 259.357 1.547 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CCC[C@H](OC)C2)C1 ZINC001030418118 704813777 /nfs/dbraw/zinc/81/37/77/704813777.db2.gz FKQWXXLFCNJIRX-HIFRSBDPSA-N 1 2 278.396 1.405 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCC[C@@H](OC)C2)C1 ZINC001030868330 704863590 /nfs/dbraw/zinc/86/35/90/704863590.db2.gz FXWNDQVBPOFADP-GXTWGEPZSA-N 1 2 264.369 1.015 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC2(F)F)C1 ZINC001035407658 704863711 /nfs/dbraw/zinc/86/37/11/704863711.db2.gz BIZAPBNVGGDSPB-NEPJUHHUSA-N 1 2 288.338 1.425 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC2(F)F)C1 ZINC001035407658 704863712 /nfs/dbraw/zinc/86/37/12/704863712.db2.gz BIZAPBNVGGDSPB-NEPJUHHUSA-N 1 2 288.338 1.425 20 30 CDEDLO C#CCOc1cccc(NC(=O)NCc2ccc(N)[nH+]c2)c1 ZINC000791097568 704879060 /nfs/dbraw/zinc/87/90/60/704879060.db2.gz ZPVJPMQPKHWDSV-UHFFFAOYSA-N 1 2 296.330 1.998 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1C/C=C/Cl ZINC001038799999 704951275 /nfs/dbraw/zinc/95/12/75/704951275.db2.gz YWUVHESBTNPICW-HKFQRNELSA-N 1 2 298.814 1.911 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1C/C=C/Cl ZINC001038799999 704951285 /nfs/dbraw/zinc/95/12/85/704951285.db2.gz YWUVHESBTNPICW-HKFQRNELSA-N 1 2 298.814 1.911 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)C(C)(C)c2cc(C)ccn2)C1 ZINC001043072347 704993158 /nfs/dbraw/zinc/99/31/58/704993158.db2.gz FNMSOFPAMNXXAH-UHFFFAOYSA-N 1 2 299.418 1.834 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cnc([C@@H](C)OC)s2)C1 ZINC001014426261 705013509 /nfs/dbraw/zinc/01/35/09/705013509.db2.gz ACMLDPKMZREUJD-MNOVXSKESA-N 1 2 293.392 1.288 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnc([C@@H](C)OC)s2)C1 ZINC001014426261 705013519 /nfs/dbraw/zinc/01/35/19/705013519.db2.gz ACMLDPKMZREUJD-MNOVXSKESA-N 1 2 293.392 1.288 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(C(C)C)n2)C1 ZINC001030619709 705018135 /nfs/dbraw/zinc/01/81/35/705018135.db2.gz HXWWNNBUZXWWPJ-UHFFFAOYSA-N 1 2 271.364 1.642 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2cscn2)C1 ZINC001044009903 705033714 /nfs/dbraw/zinc/03/37/14/705033714.db2.gz NBIUKEHYUJXXOH-UHFFFAOYSA-N 1 2 265.382 1.404 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3conc3C)cc2C1 ZINC001054279468 705048664 /nfs/dbraw/zinc/04/86/64/705048664.db2.gz GZSKUXYJZOVPQZ-UHFFFAOYSA-N 1 2 295.342 1.862 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3conc3C)cc2C1 ZINC001054279468 705048673 /nfs/dbraw/zinc/04/86/73/705048673.db2.gz GZSKUXYJZOVPQZ-UHFFFAOYSA-N 1 2 295.342 1.862 20 30 CDEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@](C)(C2CCCC2)C1=O ZINC000802738890 705115001 /nfs/dbraw/zinc/11/50/01/705115001.db2.gz WGIFIKFQVOAWHR-OAHLLOKOSA-N 1 2 279.384 1.953 20 30 CDEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@](C)(C2CCCC2)C1=O ZINC000802738890 705115032 /nfs/dbraw/zinc/11/50/32/705115032.db2.gz WGIFIKFQVOAWHR-OAHLLOKOSA-N 1 2 279.384 1.953 20 30 CDEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(C)=O ZINC001027710568 705142576 /nfs/dbraw/zinc/14/25/76/705142576.db2.gz WUKUNVVAYHGZHS-JTQLQIEISA-N 1 2 261.163 1.496 20 30 CDEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(C)=O ZINC001027710568 705142583 /nfs/dbraw/zinc/14/25/83/705142583.db2.gz WUKUNVVAYHGZHS-JTQLQIEISA-N 1 2 261.163 1.496 20 30 CDEDLO C#CCCOc1ccc(C(=O)NCCc2c[nH+]cn2C)cc1 ZINC000828223388 705243173 /nfs/dbraw/zinc/24/31/73/705243173.db2.gz QDCRPMFZQHRWAC-UHFFFAOYSA-N 1 2 297.358 1.795 20 30 CDEDLO C=C(C[NH+](C)C)C(=O)N=c1sc2ccccc2n1C ZINC000848101501 705245899 /nfs/dbraw/zinc/24/58/99/705245899.db2.gz FRGMFBHLYCZMJL-UHFFFAOYSA-N 1 2 275.377 1.785 20 30 CDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2(CF)CC2)CC1 ZINC001004544060 705278240 /nfs/dbraw/zinc/27/82/40/705278240.db2.gz SMAOGHLCKXHDAW-AWEZNQCLSA-N 1 2 293.386 1.963 20 30 CDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2(CF)CC2)CC1 ZINC001004544060 705278246 /nfs/dbraw/zinc/27/82/46/705278246.db2.gz SMAOGHLCKXHDAW-AWEZNQCLSA-N 1 2 293.386 1.963 20 30 CDEDLO C=CC[NH+]1CCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC001165032213 721870356 /nfs/dbraw/zinc/87/03/56/721870356.db2.gz LSVXOJXVEGHWQP-UHFFFAOYSA-N 1 2 268.364 1.750 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC001252603055 1164571481 /nfs/dbraw/zinc/57/14/81/1164571481.db2.gz KTYMZHJTIQSQFR-HIFRSBDPSA-N 1 2 262.353 1.782 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC001252603055 1164571484 /nfs/dbraw/zinc/57/14/84/1164571484.db2.gz KTYMZHJTIQSQFR-HIFRSBDPSA-N 1 2 262.353 1.782 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNc2nc(Cl)c(C#N)cc2C#N)C1 ZINC001155196920 1167106897 /nfs/dbraw/zinc/10/68/97/1167106897.db2.gz QACBOSWIHORECK-LLVKDONJSA-N 1 2 291.742 1.221 20 30 CDEDLO C[N@H+]1CCO[C@H](CNc2nc(Cl)c(C#N)cc2C#N)C1 ZINC001155196920 1167106901 /nfs/dbraw/zinc/10/69/01/1167106901.db2.gz QACBOSWIHORECK-LLVKDONJSA-N 1 2 291.742 1.221 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(CC#N)CC1 ZINC001326793654 1167464277 /nfs/dbraw/zinc/46/42/77/1167464277.db2.gz SKLQRIKLTOPPDU-LLVKDONJSA-N 1 2 260.341 1.741 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(CC#N)CC1 ZINC001326793654 1167464280 /nfs/dbraw/zinc/46/42/80/1167464280.db2.gz SKLQRIKLTOPPDU-LLVKDONJSA-N 1 2 260.341 1.741 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCCO2)CC1 ZINC001000417930 848091642 /nfs/dbraw/zinc/09/16/42/848091642.db2.gz GOEYKKNHNAXPRO-ZDUSSCGKSA-N 1 2 284.787 1.666 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCO2)CC1 ZINC001000417930 848091646 /nfs/dbraw/zinc/09/16/46/848091646.db2.gz GOEYKKNHNAXPRO-ZDUSSCGKSA-N 1 2 284.787 1.666 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cncc(C)c2)C1 ZINC001035325844 848116832 /nfs/dbraw/zinc/11/68/32/848116832.db2.gz DDKSBEWSMBQWGR-OAHLLOKOSA-N 1 2 289.379 1.397 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cncc(C)c2)C1 ZINC001035325844 848116835 /nfs/dbraw/zinc/11/68/35/848116835.db2.gz DDKSBEWSMBQWGR-OAHLLOKOSA-N 1 2 289.379 1.397 20 30 CDEDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2ccc(F)cc2C#N)C1 ZINC000805470091 848125505 /nfs/dbraw/zinc/12/55/05/848125505.db2.gz QMHULWIRLJGRBU-AWEZNQCLSA-N 1 2 292.310 1.461 20 30 CDEDLO CC[N@H+]1CCO[C@H](C(=O)OCc2ccc(F)cc2C#N)C1 ZINC000805470091 848125511 /nfs/dbraw/zinc/12/55/11/848125511.db2.gz QMHULWIRLJGRBU-AWEZNQCLSA-N 1 2 292.310 1.461 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2csc(Cl)c2)C1 ZINC001031052274 848159539 /nfs/dbraw/zinc/15/95/39/848159539.db2.gz JDCQMXXCTUANJK-UHFFFAOYSA-N 1 2 268.769 1.839 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC001044321296 848178948 /nfs/dbraw/zinc/17/89/48/848178948.db2.gz XOBYAENDZLJDMR-LBPRGKRZSA-N 1 2 288.395 1.233 20 30 CDEDLO C=CC[N@H+](CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[C@@H](C)COC ZINC000853533041 848187276 /nfs/dbraw/zinc/18/72/76/848187276.db2.gz SLSUAVDJUPNEHE-MELADBBJSA-N 1 2 292.379 1.418 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[C@@H](C)COC ZINC000853533041 848187279 /nfs/dbraw/zinc/18/72/79/848187279.db2.gz SLSUAVDJUPNEHE-MELADBBJSA-N 1 2 292.379 1.418 20 30 CDEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)CCC)C2)CC1 ZINC001051971410 848236452 /nfs/dbraw/zinc/23/64/52/848236452.db2.gz UZUWJZWUFMTQQN-HNNXBMFYSA-N 1 2 277.412 1.028 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn(CCC)c2C)C1 ZINC001031142551 848240790 /nfs/dbraw/zinc/24/07/90/848240790.db2.gz CJTJNAFYLFCTOU-UHFFFAOYSA-N 1 2 276.384 1.592 20 30 CDEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cnco1)CC2 ZINC001035762360 848262064 /nfs/dbraw/zinc/26/20/64/848262064.db2.gz WRPSGFHOOYLHHD-UHFFFAOYSA-N 1 2 295.770 1.965 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2cccc3n[nH]nc32)C1 ZINC001033845548 848262851 /nfs/dbraw/zinc/26/28/51/848262851.db2.gz YOGTZNQVTASLSO-LBPRGKRZSA-N 1 2 297.362 1.128 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc3n[nH]nc32)C1 ZINC001033845548 848262861 /nfs/dbraw/zinc/26/28/61/848262861.db2.gz YOGTZNQVTASLSO-LBPRGKRZSA-N 1 2 297.362 1.128 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2cccc3nn[nH]c32)C1 ZINC001033845548 848262871 /nfs/dbraw/zinc/26/28/71/848262871.db2.gz YOGTZNQVTASLSO-LBPRGKRZSA-N 1 2 297.362 1.128 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc3nn[nH]c32)C1 ZINC001033845548 848262877 /nfs/dbraw/zinc/26/28/77/848262877.db2.gz YOGTZNQVTASLSO-LBPRGKRZSA-N 1 2 297.362 1.128 20 30 CDEDLO C[C@H](C#N)N(C)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000886404674 848293844 /nfs/dbraw/zinc/29/38/44/848293844.db2.gz ASSNAGYEUNASPZ-LLVKDONJSA-N 1 2 293.392 1.207 20 30 CDEDLO C[C@H](C#N)N(C)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000886404674 848293850 /nfs/dbraw/zinc/29/38/50/848293850.db2.gz ASSNAGYEUNASPZ-LLVKDONJSA-N 1 2 293.392 1.207 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC001030712044 848316451 /nfs/dbraw/zinc/31/64/51/848316451.db2.gz FCENNDXYSXMMBT-KGLIPLIRSA-N 1 2 264.369 1.321 20 30 CDEDLO Cn1c(CC#N)nn(C[N@H+](C)CC(C)(C)C)c1=S ZINC000794632734 848352234 /nfs/dbraw/zinc/35/22/34/848352234.db2.gz QHNJXTXBUGDPCG-UHFFFAOYSA-N 1 2 267.402 1.953 20 30 CDEDLO Cn1c(CC#N)nn(C[N@@H+](C)CC(C)(C)C)c1=S ZINC000794632734 848352237 /nfs/dbraw/zinc/35/22/37/848352237.db2.gz QHNJXTXBUGDPCG-UHFFFAOYSA-N 1 2 267.402 1.953 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)cc(F)cc1C ZINC001038591042 848352367 /nfs/dbraw/zinc/35/23/67/848352367.db2.gz WXEZMUHZDFRICV-AWEZNQCLSA-N 1 2 274.339 1.880 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)cc(F)cc1C ZINC001038591042 848352377 /nfs/dbraw/zinc/35/23/77/848352377.db2.gz WXEZMUHZDFRICV-AWEZNQCLSA-N 1 2 274.339 1.880 20 30 CDEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001054049927 848502694 /nfs/dbraw/zinc/50/26/94/848502694.db2.gz NQPHJIPYCGAAHI-KBRIMQKVSA-N 1 2 282.387 1.819 20 30 CDEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001054049927 848502698 /nfs/dbraw/zinc/50/26/98/848502698.db2.gz NQPHJIPYCGAAHI-KBRIMQKVSA-N 1 2 282.387 1.819 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc(Cl)s2)C1 ZINC001031064128 848553657 /nfs/dbraw/zinc/55/36/57/848553657.db2.gz NUHWHFWICJTISC-UHFFFAOYSA-N 1 2 282.796 1.768 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[C@H]3C[C@H]3C1)CO2 ZINC001053901838 848560682 /nfs/dbraw/zinc/56/06/82/848560682.db2.gz PGSBVHYRFCWTDR-CBBWQLFWSA-N 1 2 290.407 1.568 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC2CCC1CC2 ZINC001039049549 848565197 /nfs/dbraw/zinc/56/51/97/848565197.db2.gz QKFBZOJVCWSXOY-WUCCLRPBSA-N 1 2 260.381 1.636 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC2CCC1CC2 ZINC001039049549 848565201 /nfs/dbraw/zinc/56/52/01/848565201.db2.gz QKFBZOJVCWSXOY-WUCCLRPBSA-N 1 2 260.381 1.636 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1CC)CO2 ZINC001053929750 848589016 /nfs/dbraw/zinc/58/90/16/848589016.db2.gz HNXYZDULTSFIBG-HZSPNIEDSA-N 1 2 278.396 1.568 20 30 CDEDLO Cc1nc(NCC2CCN(C(=O)C#CC3CC3)CC2)cc[nH+]1 ZINC001057497487 848593891 /nfs/dbraw/zinc/59/38/91/848593891.db2.gz MPTUCPMNKHAOOC-UHFFFAOYSA-N 1 2 298.390 1.849 20 30 CDEDLO C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+](CC(=C)C)CCO2)c1 ZINC001035506935 848594541 /nfs/dbraw/zinc/59/45/41/848594541.db2.gz ZOQOBYKFUWHXHF-MRXNPFEDSA-N 1 2 299.374 1.070 20 30 CDEDLO C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](CC(=C)C)CCO2)c1 ZINC001035506935 848594547 /nfs/dbraw/zinc/59/45/47/848594547.db2.gz ZOQOBYKFUWHXHF-MRXNPFEDSA-N 1 2 299.374 1.070 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C/C=C\Cl ZINC001038715967 848595309 /nfs/dbraw/zinc/59/53/09/848595309.db2.gz DBRSEEQOYPNHBQ-BZFMQESVSA-N 1 2 284.787 1.521 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C/C=C\Cl ZINC001038715967 848595313 /nfs/dbraw/zinc/59/53/13/848595313.db2.gz DBRSEEQOYPNHBQ-BZFMQESVSA-N 1 2 284.787 1.521 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1(CF)CC1)CCO2 ZINC001053421507 848657950 /nfs/dbraw/zinc/65/79/50/848657950.db2.gz LAKXZEIYFBKSBQ-UHFFFAOYSA-N 1 2 282.359 1.225 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c(=O)n2C)C1 ZINC001033332666 848709818 /nfs/dbraw/zinc/70/98/18/848709818.db2.gz OHHIGNJWAHIQGF-SNVBAGLBSA-N 1 2 298.774 1.025 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c(=O)n2C)C1 ZINC001033332666 848709825 /nfs/dbraw/zinc/70/98/25/848709825.db2.gz OHHIGNJWAHIQGF-SNVBAGLBSA-N 1 2 298.774 1.025 20 30 CDEDLO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+]2C[C@@H](F)CC)c1 ZINC001038679348 848723571 /nfs/dbraw/zinc/72/35/71/848723571.db2.gz BIBPOBFKLZKOOJ-GJZGRUSLSA-N 1 2 289.354 1.615 20 30 CDEDLO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@@H+]2C[C@@H](F)CC)c1 ZINC001038679348 848723575 /nfs/dbraw/zinc/72/35/75/848723575.db2.gz BIBPOBFKLZKOOJ-GJZGRUSLSA-N 1 2 289.354 1.615 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnnc2ccccc21 ZINC001038748730 848747670 /nfs/dbraw/zinc/74/76/70/848747670.db2.gz IFVGUAJPJUZLCG-ZDUSSCGKSA-N 1 2 294.358 1.457 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnnc2ccccc21 ZINC001038748730 848747674 /nfs/dbraw/zinc/74/76/74/848747674.db2.gz IFVGUAJPJUZLCG-ZDUSSCGKSA-N 1 2 294.358 1.457 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCCOC1 ZINC001018117380 848775967 /nfs/dbraw/zinc/77/59/67/848775967.db2.gz XSPOOQAHNBVGHB-IJEWVQPXSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCCOC1 ZINC001018117380 848775973 /nfs/dbraw/zinc/77/59/73/848775973.db2.gz XSPOOQAHNBVGHB-IJEWVQPXSA-N 1 2 276.380 1.112 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1c(F)ccc(F)c1OC ZINC001038584869 848809551 /nfs/dbraw/zinc/80/95/51/848809551.db2.gz BFNLWOKQLPIWSN-JTQLQIEISA-N 1 2 296.317 1.964 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1c(F)ccc(F)c1OC ZINC001038584869 848809555 /nfs/dbraw/zinc/80/95/55/848809555.db2.gz BFNLWOKQLPIWSN-JTQLQIEISA-N 1 2 296.317 1.964 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2sccc2COC)C1 ZINC001015990695 848810841 /nfs/dbraw/zinc/81/08/41/848810841.db2.gz OZDUGNTULZZPFD-LBPRGKRZSA-N 1 2 278.377 1.332 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2sccc2COC)C1 ZINC001015990695 848810846 /nfs/dbraw/zinc/81/08/46/848810846.db2.gz OZDUGNTULZZPFD-LBPRGKRZSA-N 1 2 278.377 1.332 20 30 CDEDLO C#CCOc1ccc(C=NNc2[nH+]ccn2C)cc1 ZINC000790303651 848816042 /nfs/dbraw/zinc/81/60/42/848816042.db2.gz WOGHLCLKFNDSHX-UHFFFAOYSA-N 1 2 254.293 1.878 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1C(F)F ZINC001032512635 848837758 /nfs/dbraw/zinc/83/77/58/848837758.db2.gz VXXFYMHGNABCMI-QWRGUYRKSA-N 1 2 291.301 1.551 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1C(F)F ZINC001032512635 848837764 /nfs/dbraw/zinc/83/77/64/848837764.db2.gz VXXFYMHGNABCMI-QWRGUYRKSA-N 1 2 291.301 1.551 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C=C(C)C)CCO2 ZINC001053141452 848841538 /nfs/dbraw/zinc/84/15/38/848841538.db2.gz UXSJZWRENHHRKA-UHFFFAOYSA-N 1 2 264.369 1.442 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)C[C@@H](C)CC)C1 ZINC000885511392 848843336 /nfs/dbraw/zinc/84/33/36/848843336.db2.gz HMSFTVIRLHEVMP-QWHCGFSZSA-N 1 2 272.414 1.050 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)C[C@@H](C)CC)C1 ZINC000885511392 848843347 /nfs/dbraw/zinc/84/33/47/848843347.db2.gz HMSFTVIRLHEVMP-QWHCGFSZSA-N 1 2 272.414 1.050 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2ncsc2c1 ZINC001038992119 848862437 /nfs/dbraw/zinc/86/24/37/848862437.db2.gz OJEGHGLOHDXRPZ-LBPRGKRZSA-N 1 2 285.372 1.734 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2ncsc2c1 ZINC001038992119 848862440 /nfs/dbraw/zinc/86/24/40/848862440.db2.gz OJEGHGLOHDXRPZ-LBPRGKRZSA-N 1 2 285.372 1.734 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)c(C)cn2)C1 ZINC001035460631 848863096 /nfs/dbraw/zinc/86/30/96/848863096.db2.gz QSAKWFHCPOKBQQ-CQSZACIVSA-N 1 2 289.379 1.315 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(C)c(C)cn2)C1 ZINC001035460631 848863099 /nfs/dbraw/zinc/86/30/99/848863099.db2.gz QSAKWFHCPOKBQQ-CQSZACIVSA-N 1 2 289.379 1.315 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc3nc(C)ccc3o2)C1 ZINC000923579713 848864781 /nfs/dbraw/zinc/86/47/81/848864781.db2.gz VRFRBPQWNZDIOQ-ZDUSSCGKSA-N 1 2 297.358 1.964 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3nc(C)ccc3o2)C1 ZINC000923579713 848864785 /nfs/dbraw/zinc/86/47/85/848864785.db2.gz VRFRBPQWNZDIOQ-ZDUSSCGKSA-N 1 2 297.358 1.964 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(CC)n[nH]2)C1 ZINC001032918536 848865635 /nfs/dbraw/zinc/86/56/35/848865635.db2.gz FUMPSJAILBDGCB-LBPRGKRZSA-N 1 2 296.802 1.871 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(CC)n[nH]2)C1 ZINC001032918536 848865642 /nfs/dbraw/zinc/86/56/42/848865642.db2.gz FUMPSJAILBDGCB-LBPRGKRZSA-N 1 2 296.802 1.871 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH]c2ccccc12 ZINC001032749082 848886347 /nfs/dbraw/zinc/88/63/47/848886347.db2.gz PVQXACRMUZJCND-GJZGRUSLSA-N 1 2 293.370 1.629 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH]c2ccccc12 ZINC001032749082 848886351 /nfs/dbraw/zinc/88/63/51/848886351.db2.gz PVQXACRMUZJCND-GJZGRUSLSA-N 1 2 293.370 1.629 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cc(COC)cs1 ZINC000855779048 848923588 /nfs/dbraw/zinc/92/35/88/848923588.db2.gz DDRQHGOJBBASAJ-AWEZNQCLSA-N 1 2 292.404 1.608 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cc(COC)cs1 ZINC000855779048 848923592 /nfs/dbraw/zinc/92/35/92/848923592.db2.gz DDRQHGOJBBASAJ-AWEZNQCLSA-N 1 2 292.404 1.608 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001031008233 848926571 /nfs/dbraw/zinc/92/65/71/848926571.db2.gz RXHTTZIPMWEMTR-UHFFFAOYSA-N 1 2 294.757 1.845 20 30 CDEDLO C#C[C@H]([NH2+][C@@H](C)c1cn(C(C)C)nn1)[C@@H]1CCCO1 ZINC000926209116 848978512 /nfs/dbraw/zinc/97/85/12/848978512.db2.gz CMWMAWJQEOAEJU-OBJOEFQTSA-N 1 2 262.357 1.690 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn2cc(C)nc2c1 ZINC001038696582 849041401 /nfs/dbraw/zinc/04/14/01/849041401.db2.gz RKKHBFDGRCIWMH-CQSZACIVSA-N 1 2 282.347 1.080 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn2cc(C)nc2c1 ZINC001038696582 849041407 /nfs/dbraw/zinc/04/14/07/849041407.db2.gz RKKHBFDGRCIWMH-CQSZACIVSA-N 1 2 282.347 1.080 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)o1 ZINC000814099682 849055081 /nfs/dbraw/zinc/05/50/81/849055081.db2.gz FQZNUCOFXOXNPF-ZDUSSCGKSA-N 1 2 289.335 1.088 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1C1CC1)CO2 ZINC001053951548 849067130 /nfs/dbraw/zinc/06/71/30/849067130.db2.gz YOUWFAJJJPCBNY-QLFBSQMISA-N 1 2 290.407 1.568 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874890880 849088960 /nfs/dbraw/zinc/08/89/60/849088960.db2.gz BHHXZIBEJJXWCY-GOEBONIOSA-N 1 2 292.354 1.626 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1cnc(C)s1 ZINC001038094151 849107784 /nfs/dbraw/zinc/10/77/84/849107784.db2.gz BHXFMPJZIKVDJQ-NSHDSACASA-N 1 2 265.382 1.832 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1cnc(C)s1 ZINC001038094151 849107787 /nfs/dbraw/zinc/10/77/87/849107787.db2.gz BHXFMPJZIKVDJQ-NSHDSACASA-N 1 2 265.382 1.832 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)c2cc(C)cc(C)c2)nn1 ZINC000881412862 849119044 /nfs/dbraw/zinc/11/90/44/849119044.db2.gz HNNYIDSKGYVNEY-KRWDZBQOSA-N 1 2 298.390 1.741 20 30 CDEDLO C[NH+](C)[C@H](C(=O)OCCOCCC#N)c1ccccc1 ZINC000815229687 849136603 /nfs/dbraw/zinc/13/66/03/849136603.db2.gz JLEGKUAMWLMWTO-AWEZNQCLSA-N 1 2 276.336 1.763 20 30 CDEDLO C=C[C@H](C)ONC(=O)N(C)CCCn1cc[nH+]c1 ZINC000845629228 849152958 /nfs/dbraw/zinc/15/29/58/849152958.db2.gz UGNMPKALDYOZTD-NSHDSACASA-N 1 2 252.318 1.421 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)OCc1ccc[nH+]c1N ZINC000922633137 849171060 /nfs/dbraw/zinc/17/10/60/849171060.db2.gz YWDXAKVVSDPZLR-CQSZACIVSA-N 1 2 264.325 1.936 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2c(C)cc(=O)[nH]c2C)C1 ZINC001031419452 849196886 /nfs/dbraw/zinc/19/68/86/849196886.db2.gz AJTFMEANNFZRFY-UHFFFAOYSA-N 1 2 275.352 1.394 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(N(C)C(C)=O)cc2)C1 ZINC001031457920 849207337 /nfs/dbraw/zinc/20/73/37/849207337.db2.gz FUPKFPAUUGKUIS-UHFFFAOYSA-N 1 2 299.374 1.107 20 30 CDEDLO C=CC[N@@H+](CC[N+](=O)[O-])Cc1ccc(OC)cc1 ZINC000791051407 849208661 /nfs/dbraw/zinc/20/86/61/849208661.db2.gz CNIMWTWAROJSRE-UHFFFAOYSA-N 1 2 250.298 1.960 20 30 CDEDLO C=CC[N@H+](CC[N+](=O)[O-])Cc1ccc(OC)cc1 ZINC000791051407 849208669 /nfs/dbraw/zinc/20/86/69/849208669.db2.gz CNIMWTWAROJSRE-UHFFFAOYSA-N 1 2 250.298 1.960 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)=C1CCC1)CO2 ZINC001053798822 849240993 /nfs/dbraw/zinc/24/09/93/849240993.db2.gz DRXTXOMHFKGOJZ-OAHLLOKOSA-N 1 2 288.391 1.470 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2c(cccc2C)n1 ZINC001032774962 849282376 /nfs/dbraw/zinc/28/23/76/849282376.db2.gz VOTKTWDLCWPJGG-KBPBESRZSA-N 1 2 294.358 1.175 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2c(cccc2C)n1 ZINC001032774962 849282383 /nfs/dbraw/zinc/28/23/83/849282383.db2.gz VOTKTWDLCWPJGG-KBPBESRZSA-N 1 2 294.358 1.175 20 30 CDEDLO C#C[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)[C@@H]1CCCO1 ZINC000775784576 849302517 /nfs/dbraw/zinc/30/25/17/849302517.db2.gz KGLXXAFRXPOKEH-YESZJQIVSA-N 1 2 298.386 1.777 20 30 CDEDLO C=CC[N@@H+](CCC#N)CCc1ccc(S(N)(=O)=O)cc1 ZINC000794744938 849321314 /nfs/dbraw/zinc/32/13/14/849321314.db2.gz KPDFHRZYKGRCMD-UHFFFAOYSA-N 1 2 293.392 1.278 20 30 CDEDLO C=CC[N@H+](CCC#N)CCc1ccc(S(N)(=O)=O)cc1 ZINC000794744938 849321326 /nfs/dbraw/zinc/32/13/26/849321326.db2.gz KPDFHRZYKGRCMD-UHFFFAOYSA-N 1 2 293.392 1.278 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cn(C)nc2C(C)C)C1 ZINC001044287599 849345438 /nfs/dbraw/zinc/34/54/38/849345438.db2.gz DNUPKMHZGQGKRE-UHFFFAOYSA-N 1 2 290.411 1.876 20 30 CDEDLO C#C[C@H]([NH2+][C@H](C)c1nc(C)cc(=O)[nH]1)[C@@H]1CCCO1 ZINC000790340697 849362043 /nfs/dbraw/zinc/36/20/43/849362043.db2.gz SQPFMPBLVDMQSF-WOPDTQHZSA-N 1 2 261.325 1.322 20 30 CDEDLO C=CCOc1ccccc1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030542170 849362920 /nfs/dbraw/zinc/36/29/20/849362920.db2.gz QOXGRVJGCHRXPN-LBPRGKRZSA-N 1 2 290.363 1.046 20 30 CDEDLO C[C@H]1CC(=NN2C(=O)c3ccncc3C2=O)C[N@@H+]1C1CC1 ZINC000841654064 849371164 /nfs/dbraw/zinc/37/11/64/849371164.db2.gz MNNOPNNRPRTQGS-VIFPVBQESA-N 1 2 284.319 1.290 20 30 CDEDLO C[C@H]1CC(=NN2C(=O)c3ccncc3C2=O)C[N@H+]1C1CC1 ZINC000841654064 849371173 /nfs/dbraw/zinc/37/11/73/849371173.db2.gz MNNOPNNRPRTQGS-VIFPVBQESA-N 1 2 284.319 1.290 20 30 CDEDLO CC(C)(C#N)CC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000785077609 849378623 /nfs/dbraw/zinc/37/86/23/849378623.db2.gz MFPDQZAUULASPH-TXEJJXNPSA-N 1 2 266.341 1.333 20 30 CDEDLO CC(C)(C#N)CC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000785077609 849378633 /nfs/dbraw/zinc/37/86/33/849378633.db2.gz MFPDQZAUULASPH-TXEJJXNPSA-N 1 2 266.341 1.333 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncc(F)cc1F ZINC001032479345 849441310 /nfs/dbraw/zinc/44/13/10/849441310.db2.gz ALGHILJBYKLWIT-QWRGUYRKSA-N 1 2 279.290 1.445 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncc(F)cc1F ZINC001032479345 849441318 /nfs/dbraw/zinc/44/13/18/849441318.db2.gz ALGHILJBYKLWIT-QWRGUYRKSA-N 1 2 279.290 1.445 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)c1ccc(F)cc1 ZINC000884088936 849441760 /nfs/dbraw/zinc/44/17/60/849441760.db2.gz ZXUIFLQKKZDGOC-LBPRGKRZSA-N 1 2 280.299 1.235 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccsc2)C1 ZINC001035279153 849457931 /nfs/dbraw/zinc/45/79/31/849457931.db2.gz IFFZUMUYRLLJNX-GFCCVEGCSA-N 1 2 266.366 1.365 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccsc2)C1 ZINC001035279153 849457934 /nfs/dbraw/zinc/45/79/34/849457934.db2.gz IFFZUMUYRLLJNX-GFCCVEGCSA-N 1 2 266.366 1.365 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cnc(C3CC3)s2)C1 ZINC001016053669 849513340 /nfs/dbraw/zinc/51/33/40/849513340.db2.gz BELNPCQOXRNHEN-LBPRGKRZSA-N 1 2 289.404 1.848 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2cnc(C3CC3)s2)C1 ZINC001016053669 849513350 /nfs/dbraw/zinc/51/33/50/849513350.db2.gz BELNPCQOXRNHEN-LBPRGKRZSA-N 1 2 289.404 1.848 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2ncc[nH]2)[C@H]1C ZINC000994090680 849523503 /nfs/dbraw/zinc/52/35/03/849523503.db2.gz GMXVKFDXHBZXPC-NEPJUHHUSA-N 1 2 296.802 1.674 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2ncc[nH]2)[C@H]1C ZINC000994090680 849523508 /nfs/dbraw/zinc/52/35/08/849523508.db2.gz GMXVKFDXHBZXPC-NEPJUHHUSA-N 1 2 296.802 1.674 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccco1 ZINC001032622801 849526132 /nfs/dbraw/zinc/52/61/32/849526132.db2.gz YBGVMYUZOJTVLB-AGIUHOORSA-N 1 2 258.321 1.301 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccco1 ZINC001032622801 849526136 /nfs/dbraw/zinc/52/61/36/849526136.db2.gz YBGVMYUZOJTVLB-AGIUHOORSA-N 1 2 258.321 1.301 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1c(C)ccn1C ZINC001050888984 849527251 /nfs/dbraw/zinc/52/72/51/849527251.db2.gz KOHHOKKEOAVIPM-AWEZNQCLSA-N 1 2 291.395 1.340 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c(C)ccn1C ZINC001050888984 849527258 /nfs/dbraw/zinc/52/72/58/849527258.db2.gz KOHHOKKEOAVIPM-AWEZNQCLSA-N 1 2 291.395 1.340 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC1(C)C)CO2 ZINC001053780255 849537256 /nfs/dbraw/zinc/53/72/56/849537256.db2.gz DXRKURJVUUBTMR-STQMWFEESA-N 1 2 278.396 1.568 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]cc2C)C1 ZINC001035605631 849611259 /nfs/dbraw/zinc/61/12/59/849611259.db2.gz BXYCIAHZYIOWSO-CYBMUJFWSA-N 1 2 277.368 1.330 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2c[nH]cc2C)C1 ZINC001035605631 849611270 /nfs/dbraw/zinc/61/12/70/849611270.db2.gz BXYCIAHZYIOWSO-CYBMUJFWSA-N 1 2 277.368 1.330 20 30 CDEDLO C=CCC1(O)CC[NH+]([C@H](C)c2nc(COC)no2)CC1 ZINC000886777052 849638266 /nfs/dbraw/zinc/63/82/66/849638266.db2.gz XAHNBFVZLUVXIZ-LLVKDONJSA-N 1 2 281.356 1.680 20 30 CDEDLO CC[C@@H](C#N)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000845352283 849701760 /nfs/dbraw/zinc/70/17/60/849701760.db2.gz VKGJIIVREZDMFJ-NSHDSACASA-N 1 2 261.325 1.873 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cnco2)C1 ZINC001073717224 849707947 /nfs/dbraw/zinc/70/79/47/849707947.db2.gz ZJTXMSZRERJRKT-LLVKDONJSA-N 1 2 299.758 1.248 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cnco2)C1 ZINC001073717224 849707951 /nfs/dbraw/zinc/70/79/51/849707951.db2.gz ZJTXMSZRERJRKT-LLVKDONJSA-N 1 2 299.758 1.248 20 30 CDEDLO Cc1nc(N2CC[C@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)cc[nH+]1 ZINC001064606575 849736880 /nfs/dbraw/zinc/73/68/80/849736880.db2.gz OMRUCJRISUWDGG-LRDDRELGSA-N 1 2 299.378 1.374 20 30 CDEDLO C=C(C)CNC(=S)N1CCN(c2cccc[nH+]2)CC1 ZINC000006262205 849740994 /nfs/dbraw/zinc/74/09/94/849740994.db2.gz NCRYCXRGACFUEE-UHFFFAOYSA-N 1 2 276.409 1.654 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1C ZINC001038031324 849757877 /nfs/dbraw/zinc/75/78/77/849757877.db2.gz VKHXDUKOEAHKFK-AWEZNQCLSA-N 1 2 256.349 1.822 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1C ZINC001038031324 849757884 /nfs/dbraw/zinc/75/78/84/849757884.db2.gz VKHXDUKOEAHKFK-AWEZNQCLSA-N 1 2 256.349 1.822 20 30 CDEDLO CC[C@@H](C(=O)N1CCC[C@H](C#N)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000928218565 849813192 /nfs/dbraw/zinc/81/31/92/849813192.db2.gz WOGGGCMMBFRRRM-KFWWJZLASA-N 1 2 293.411 1.638 20 30 CDEDLO CC[C@@H](C(=O)N1CCC[C@H](C#N)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000928218565 849813194 /nfs/dbraw/zinc/81/31/94/849813194.db2.gz WOGGGCMMBFRRRM-KFWWJZLASA-N 1 2 293.411 1.638 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccn(C)c1)CCO2 ZINC001053220595 849823243 /nfs/dbraw/zinc/82/32/43/849823243.db2.gz YHLAUXSLPMFVNI-UHFFFAOYSA-N 1 2 289.379 1.128 20 30 CDEDLO C=C(C)CONC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000845595777 849824173 /nfs/dbraw/zinc/82/41/73/849824173.db2.gz WXXFKVCANAPNSA-UHFFFAOYSA-N 1 2 275.352 1.809 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2cc(C)ccc2n1 ZINC001032474890 849862542 /nfs/dbraw/zinc/86/25/42/849862542.db2.gz QWKAZXIMXXNBQQ-KBPBESRZSA-N 1 2 294.358 1.175 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn2cc(C)ccc2n1 ZINC001032474890 849862549 /nfs/dbraw/zinc/86/25/49/849862549.db2.gz QWKAZXIMXXNBQQ-KBPBESRZSA-N 1 2 294.358 1.175 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cncnc2)[C@H]1C ZINC000993268091 849878363 /nfs/dbraw/zinc/87/83/63/849878363.db2.gz RMXNDRHTDLQWSB-YPMHNXCESA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cncnc2)[C@H]1C ZINC000993268091 849878369 /nfs/dbraw/zinc/87/83/69/849878369.db2.gz RMXNDRHTDLQWSB-YPMHNXCESA-N 1 2 294.786 1.812 20 30 CDEDLO C=CCCn1cc(C[NH2+]CCN2CCCCC2)nn1 ZINC000850023789 849945419 /nfs/dbraw/zinc/94/54/19/849945419.db2.gz DRGDZMOBTQDGMY-UHFFFAOYSA-N 1 2 263.389 1.430 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC2(CC2)C1 ZINC001017933063 849952457 /nfs/dbraw/zinc/95/24/57/849952457.db2.gz PWJDIONQOFNFOX-GASCZTMLSA-N 1 2 272.392 1.875 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC2(CC2)C1 ZINC001017933063 849952464 /nfs/dbraw/zinc/95/24/64/849952464.db2.gz PWJDIONQOFNFOX-GASCZTMLSA-N 1 2 272.392 1.875 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(C(C)C)cn2)C1 ZINC001030956845 849978877 /nfs/dbraw/zinc/97/88/77/849978877.db2.gz NEDFJJXVJUXEDC-UHFFFAOYSA-N 1 2 271.364 1.642 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CCC(C)CC1 ZINC001032813630 850004180 /nfs/dbraw/zinc/00/41/80/850004180.db2.gz CKLIQZMUCUFXTR-PYBGIAKNSA-N 1 2 290.407 1.500 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CCC(C)CC1 ZINC001032813630 850004184 /nfs/dbraw/zinc/00/41/84/850004184.db2.gz CKLIQZMUCUFXTR-PYBGIAKNSA-N 1 2 290.407 1.500 20 30 CDEDLO Cc1nc(N(C)C[C@@H]2CCCN2C(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001067742980 850060976 /nfs/dbraw/zinc/06/09/76/850060976.db2.gz SJPYTWLSJXTIPR-AAEUAGOBSA-N 1 2 287.367 1.372 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)C1CC1)CO2 ZINC001053767808 850063365 /nfs/dbraw/zinc/06/33/65/850063365.db2.gz PEBVGZIBCUXZAP-JSGCOSHPSA-N 1 2 276.380 1.015 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC001043498576 850063599 /nfs/dbraw/zinc/06/35/99/850063599.db2.gz HJUXTNDYDIFZSW-UHFFFAOYSA-N 1 2 275.352 1.346 20 30 CDEDLO C[C@@H](CC(=O)N1CCC(N(C)CC#N)CC1)n1cc[nH+]c1 ZINC000985682305 850095195 /nfs/dbraw/zinc/09/51/95/850095195.db2.gz RAIGWIMJUHKQPK-ZDUSSCGKSA-N 1 2 289.383 1.281 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@]1(C)CC ZINC001018129974 850166633 /nfs/dbraw/zinc/16/66/33/850166633.db2.gz OOFQCNZNQVYHLD-CTASWTNQSA-N 1 2 260.381 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@]1(C)CC ZINC001018129974 850166640 /nfs/dbraw/zinc/16/66/40/850166640.db2.gz OOFQCNZNQVYHLD-CTASWTNQSA-N 1 2 260.381 1.731 20 30 CDEDLO C#Cc1cncc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000807288445 850174487 /nfs/dbraw/zinc/17/44/87/850174487.db2.gz WSECKDGDRWXGQB-ZDUSSCGKSA-N 1 2 266.304 1.004 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CCCCC1)CO2 ZINC001053725520 850187311 /nfs/dbraw/zinc/18/73/11/850187311.db2.gz JTFFOHCBKDEDCR-OAHLLOKOSA-N 1 2 290.407 1.550 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)sn1 ZINC001038202206 850220238 /nfs/dbraw/zinc/22/02/38/850220238.db2.gz RKMPCUWFYNXILI-NSHDSACASA-N 1 2 263.366 1.279 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)sn1 ZINC001038202206 850220243 /nfs/dbraw/zinc/22/02/43/850220243.db2.gz RKMPCUWFYNXILI-NSHDSACASA-N 1 2 263.366 1.279 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(CC(C)C)c[nH]1 ZINC001038924894 850263643 /nfs/dbraw/zinc/26/36/43/850263643.db2.gz GZYGUXVLBRTLKJ-CQSZACIVSA-N 1 2 273.380 1.651 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(CC(C)C)c[nH]1 ZINC001038924894 850263654 /nfs/dbraw/zinc/26/36/54/850263654.db2.gz GZYGUXVLBRTLKJ-CQSZACIVSA-N 1 2 273.380 1.651 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000884415336 850310933 /nfs/dbraw/zinc/31/09/33/850310933.db2.gz QSWULDDCLKMEII-KGLIPLIRSA-N 1 2 294.395 1.472 20 30 CDEDLO C#CCOc1ccc(C(=O)NCc2c[nH+]cn2C)cc1 ZINC000810755395 850344994 /nfs/dbraw/zinc/34/49/94/850344994.db2.gz SOEJEUGBRIOKDZ-UHFFFAOYSA-N 1 2 269.304 1.362 20 30 CDEDLO CCn1ncn(N=Cc2ccc(-n3cc[nH+]c3)cc2)c1=O ZINC000814235384 850386117 /nfs/dbraw/zinc/38/61/17/850386117.db2.gz INWSOASJVHUGII-UHFFFAOYSA-N 1 2 282.307 1.133 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(OC)c1 ZINC001017695905 850461636 /nfs/dbraw/zinc/46/16/36/850461636.db2.gz PXASNLLGMNWKOE-OKILXGFUSA-N 1 2 285.347 1.012 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(OC)c1 ZINC001017695905 850461640 /nfs/dbraw/zinc/46/16/40/850461640.db2.gz PXASNLLGMNWKOE-OKILXGFUSA-N 1 2 285.347 1.012 20 30 CDEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cocn1)CC2 ZINC001272374534 912970112 /nfs/dbraw/zinc/97/01/12/912970112.db2.gz FIFCWPNFUGZPCZ-CYBMUJFWSA-N 1 2 275.352 1.579 20 30 CDEDLO C#Cc1cc(Nc2ccc(C(=O)NC)cc2)cc[nH+]1 ZINC001174511617 913208749 /nfs/dbraw/zinc/20/87/49/913208749.db2.gz CXAOSELPEYCSLT-UHFFFAOYSA-N 1 2 251.289 1.588 20 30 CDEDLO N#Cc1ncn(-c2ccc([NH+]3CCCC3)cc2)c1N ZINC001174524750 913215856 /nfs/dbraw/zinc/21/58/56/913215856.db2.gz CCCGVCHZKYBSMN-UHFFFAOYSA-N 1 2 253.309 1.926 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[C@H]1CCCCO1 ZINC001234385443 913600223 /nfs/dbraw/zinc/60/02/23/913600223.db2.gz NIRMJIBJHQJOCM-LSDHHAIUSA-N 1 2 292.423 1.748 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[C@H]1CCCCO1 ZINC001234385443 913600239 /nfs/dbraw/zinc/60/02/39/913600239.db2.gz NIRMJIBJHQJOCM-LSDHHAIUSA-N 1 2 292.423 1.748 20 30 CDEDLO C=CCN(CC[N@@H+]1CCOC[C@@H]1C)C(=O)OCC ZINC001209017783 894418345 /nfs/dbraw/zinc/41/83/45/894418345.db2.gz XFRBZJIAHUHPFV-LBPRGKRZSA-N 1 2 256.346 1.352 20 30 CDEDLO C=CCN(CC[N@H+]1CCOC[C@@H]1C)C(=O)OCC ZINC001209017783 894418353 /nfs/dbraw/zinc/41/83/53/894418353.db2.gz XFRBZJIAHUHPFV-LBPRGKRZSA-N 1 2 256.346 1.352 20 30 CDEDLO COc1cc(N2CCC(n3cc[nH+]c3)CC2)ncc1C#N ZINC001167126951 894659838 /nfs/dbraw/zinc/65/98/38/894659838.db2.gz YGNQKIUEVPQRSX-UHFFFAOYSA-N 1 2 283.335 2.000 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(F)C(F)(F)F)C1 ZINC001111756180 895198042 /nfs/dbraw/zinc/19/80/42/895198042.db2.gz GSCGJTIBUVUZGF-NHCYSSNCSA-N 1 2 292.276 1.491 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(F)C(F)(F)F)C1 ZINC001111756180 895198051 /nfs/dbraw/zinc/19/80/51/895198051.db2.gz GSCGJTIBUVUZGF-NHCYSSNCSA-N 1 2 292.276 1.491 20 30 CDEDLO C#Cc1cc(Nc2cc(OC)ncc2OC)cc[nH+]1 ZINC001210306329 895198251 /nfs/dbraw/zinc/19/82/51/895198251.db2.gz FHAMKBYQBLSGTP-UHFFFAOYSA-N 1 2 255.277 1.641 20 30 CDEDLO COc1cc[nH+]cc1Nc1c(C#N)cnn1-c1ncccn1 ZINC001176119073 913968633 /nfs/dbraw/zinc/96/86/33/913968633.db2.gz UQZVYUHCAQVBMY-UHFFFAOYSA-N 1 2 293.290 1.681 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnn(CC2CC2)c1 ZINC001480932138 897544161 /nfs/dbraw/zinc/54/41/61/897544161.db2.gz KDURLZBBZFZUHT-UHFFFAOYSA-N 1 2 296.802 1.707 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnn(CC2CC2)c1 ZINC001480932138 897544152 /nfs/dbraw/zinc/54/41/52/897544152.db2.gz KDURLZBBZFZUHT-UHFFFAOYSA-N 1 2 296.802 1.707 20 30 CDEDLO C=CCOCC(=O)N(C)[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001104496184 897619052 /nfs/dbraw/zinc/61/90/52/897619052.db2.gz KGUAXPZKJKZHSM-LLVKDONJSA-N 1 2 278.356 1.246 20 30 CDEDLO Cc1nc(NC[C@@H](C)N(C)C(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001104519873 897934968 /nfs/dbraw/zinc/93/49/68/897934968.db2.gz PXZPWXQLXLOWHU-SNVBAGLBSA-N 1 2 298.350 1.557 20 30 CDEDLO COc1ccc(C[NH+]2CC3(C2)CCN(C)C3=O)c(C#N)c1 ZINC001137706929 898959396 /nfs/dbraw/zinc/95/93/96/898959396.db2.gz WUDPABLIDMGYFH-UHFFFAOYSA-N 1 2 285.347 1.231 20 30 CDEDLO CC1(C)C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCN(CC#N)C1 ZINC001089529566 914785550 /nfs/dbraw/zinc/78/55/50/914785550.db2.gz USFOQBLCDAEYTI-GFCCVEGCSA-N 1 2 289.383 1.083 20 30 CDEDLO N#Cc1cc(CC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccn1 ZINC001177668170 914842718 /nfs/dbraw/zinc/84/27/18/914842718.db2.gz KPQFBPOXAUMHGM-ZDUSSCGKSA-N 1 2 295.346 1.625 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC001188676118 921146309 /nfs/dbraw/zinc/14/63/09/921146309.db2.gz OYQDTFBKIRJYFZ-UHFFFAOYSA-N 1 2 269.348 1.696 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001128245663 921226547 /nfs/dbraw/zinc/22/65/47/921226547.db2.gz FIJXZBIIIRMGAR-UHFFFAOYSA-N 1 2 292.383 1.755 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2coc(C)n2)[C@H]1C ZINC001088535022 907616757 /nfs/dbraw/zinc/61/67/57/907616757.db2.gz ZABWHTRIUBUUMR-KOLCDFICSA-N 1 2 283.759 1.928 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2coc(C)n2)[C@H]1C ZINC001088535022 907616767 /nfs/dbraw/zinc/61/67/67/907616767.db2.gz ZABWHTRIUBUUMR-KOLCDFICSA-N 1 2 283.759 1.928 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)CC1CC1)c1nccn12 ZINC001092342463 909381312 /nfs/dbraw/zinc/38/13/12/909381312.db2.gz NBUUDPAJYYTGDS-CYBMUJFWSA-N 1 2 286.379 1.441 20 30 CDEDLO CC#CCCCC(=O)NCCNc1cc[nH+]c(C)n1 ZINC001094064951 910306504 /nfs/dbraw/zinc/30/65/04/910306504.db2.gz GPCKNAWYKKDXFL-UHFFFAOYSA-N 1 2 260.341 1.507 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171475975 910795277 /nfs/dbraw/zinc/79/52/77/910795277.db2.gz IKGMDHKEKMAMGZ-OLZOCXBDSA-N 1 2 277.318 1.619 20 30 CDEDLO C#CCN1CCC2(CCN(c3cc[nH+]c(OC)c3)CC2)C1=O ZINC001273585101 921610009 /nfs/dbraw/zinc/61/00/09/921610009.db2.gz LNUFSVPEVZAFOG-UHFFFAOYSA-N 1 2 299.374 1.542 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccon2)C1 ZINC001189917518 921722916 /nfs/dbraw/zinc/72/29/16/921722916.db2.gz HNSKTLFCKVAYBC-HIFRSBDPSA-N 1 2 293.367 1.034 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccon2)C1 ZINC001189917518 921722919 /nfs/dbraw/zinc/72/29/19/921722919.db2.gz HNSKTLFCKVAYBC-HIFRSBDPSA-N 1 2 293.367 1.034 20 30 CDEDLO CC#CC(=O)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001179751758 915968817 /nfs/dbraw/zinc/96/88/17/915968817.db2.gz KHDWKDPMFPNFDB-UHFFFAOYSA-N 1 2 282.347 1.230 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001124495135 936319737 /nfs/dbraw/zinc/31/97/37/936319737.db2.gz MWZSLOQVGWZJPK-MNOVXSKESA-N 1 2 296.371 1.126 20 30 CDEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001212338534 916033522 /nfs/dbraw/zinc/03/35/22/916033522.db2.gz OPGPOCMVBKTKPJ-VXGBXAGGSA-N 1 2 272.364 1.374 20 30 CDEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001212338534 916033540 /nfs/dbraw/zinc/03/35/40/916033540.db2.gz OPGPOCMVBKTKPJ-VXGBXAGGSA-N 1 2 272.364 1.374 20 30 CDEDLO C=CCOCC(=O)NCC[NH2+][C@@H](C)c1nc(C(C)C)no1 ZINC001124773766 936336604 /nfs/dbraw/zinc/33/66/04/936336604.db2.gz WROZSDNTDSXHNP-NSHDSACASA-N 1 2 296.371 1.162 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ccc(O)cc2F)CC1 ZINC001180650959 916550777 /nfs/dbraw/zinc/55/07/77/916550777.db2.gz URDKEFNLYKURRX-UHFFFAOYSA-N 1 2 278.327 1.404 20 30 CDEDLO N#Cc1cc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c(F)cc1F ZINC001237523592 917470902 /nfs/dbraw/zinc/47/09/02/917470902.db2.gz BMUFNDFVIBSBOH-LKFCYVNXSA-N 1 2 282.290 1.012 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c(F)cc1F ZINC001237523592 917470913 /nfs/dbraw/zinc/47/09/13/917470913.db2.gz BMUFNDFVIBSBOH-LKFCYVNXSA-N 1 2 282.290 1.012 20 30 CDEDLO Cc1c(CN2CCO[C@@H](C#N)C2)[nH+]c2ccccn12 ZINC001137274158 936438549 /nfs/dbraw/zinc/43/85/49/936438549.db2.gz ITRDNYBNDRESNV-LBPRGKRZSA-N 1 2 256.309 1.367 20 30 CDEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001182894012 918204924 /nfs/dbraw/zinc/20/49/24/918204924.db2.gz RFTBZRLDNXXTTI-LLVKDONJSA-N 1 2 294.424 1.831 20 30 CDEDLO O=C(C#Cc1ccccc1)NCCOc1cc[nH+]cc1 ZINC001142864019 918517084 /nfs/dbraw/zinc/51/70/84/918517084.db2.gz MVNYFLIFLYLKPM-UHFFFAOYSA-N 1 2 266.300 1.628 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccsc2)C1 ZINC001107727636 918696799 /nfs/dbraw/zinc/69/67/99/918696799.db2.gz CXXDFVOMNXCURC-HNNXBMFYSA-N 1 2 292.404 1.592 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccsc2)C1 ZINC001107727636 918696805 /nfs/dbraw/zinc/69/68/05/918696805.db2.gz CXXDFVOMNXCURC-HNNXBMFYSA-N 1 2 292.404 1.592 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC=CCC2)C1 ZINC001107731210 918709157 /nfs/dbraw/zinc/70/91/57/918709157.db2.gz LHUWXUMLCWYCJB-HOCLYGCPSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC=CCC2)C1 ZINC001107731210 918709173 /nfs/dbraw/zinc/70/91/73/918709173.db2.gz LHUWXUMLCWYCJB-HOCLYGCPSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cscn2)C1 ZINC001107809280 918810819 /nfs/dbraw/zinc/81/08/19/918810819.db2.gz IRRGDJNJJQGVBL-ZDUSSCGKSA-N 1 2 281.381 1.150 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cscn2)C1 ZINC001107809280 918810830 /nfs/dbraw/zinc/81/08/30/918810830.db2.gz IRRGDJNJJQGVBL-ZDUSSCGKSA-N 1 2 281.381 1.150 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C(F)=C(C)C)C1 ZINC001107863359 918916344 /nfs/dbraw/zinc/91/63/44/918916344.db2.gz FLLWPSWPZNPQQD-CQSZACIVSA-N 1 2 270.348 1.643 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C(F)=C(C)C)C1 ZINC001107863359 918916353 /nfs/dbraw/zinc/91/63/53/918916353.db2.gz FLLWPSWPZNPQQD-CQSZACIVSA-N 1 2 270.348 1.643 20 30 CDEDLO C#CCOc1ccc(CN2CC[NH+](CC#C)CC2)cc1 ZINC001138557235 936546145 /nfs/dbraw/zinc/54/61/45/936546145.db2.gz CCDQHBMGEOSUFI-UHFFFAOYSA-N 1 2 268.360 1.449 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2c(C)coc2C)C1 ZINC001107914819 919039808 /nfs/dbraw/zinc/03/98/08/919039808.db2.gz SSRIEMHWFSLCCF-INIZCTEOSA-N 1 2 292.379 1.903 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2c(C)coc2C)C1 ZINC001107914819 919039815 /nfs/dbraw/zinc/03/98/15/919039815.db2.gz SSRIEMHWFSLCCF-INIZCTEOSA-N 1 2 292.379 1.903 20 30 CDEDLO COC(=O)c1ccc(C[NH+]2CC(CC#N)C2)c(OC)c1 ZINC001137447968 936599491 /nfs/dbraw/zinc/59/94/91/936599491.db2.gz KJEDZYJIEQXDIO-UHFFFAOYSA-N 1 2 274.320 1.827 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cc1cn(Cc2cccnc2)nn1 ZINC000827823236 936608837 /nfs/dbraw/zinc/60/88/37/936608837.db2.gz LVKQLYOBBYKZOD-UHFFFAOYSA-N 1 2 299.378 1.193 20 30 CDEDLO C#CCC[N@H+](CCOC)Cc1cn(Cc2cccnc2)nn1 ZINC000827823236 936608838 /nfs/dbraw/zinc/60/88/38/936608838.db2.gz LVKQLYOBBYKZOD-UHFFFAOYSA-N 1 2 299.378 1.193 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)OC)C2 ZINC001110376554 919904712 /nfs/dbraw/zinc/90/47/12/919904712.db2.gz XCXYZRSDUQHMOJ-LOWDOPEQSA-N 1 2 286.803 1.885 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)OC)C2 ZINC001110376554 919904719 /nfs/dbraw/zinc/90/47/19/919904719.db2.gz XCXYZRSDUQHMOJ-LOWDOPEQSA-N 1 2 286.803 1.885 20 30 CDEDLO C=CCn1cc(C[N@@H+]2CCOC3(CCOCC3)C2)cn1 ZINC001139771278 936645632 /nfs/dbraw/zinc/64/56/32/936645632.db2.gz VQJBFDBWVSLIPK-UHFFFAOYSA-N 1 2 277.368 1.451 20 30 CDEDLO C=CCn1cc(C[N@H+]2CCOC3(CCOCC3)C2)cn1 ZINC001139771278 936645633 /nfs/dbraw/zinc/64/56/33/936645633.db2.gz VQJBFDBWVSLIPK-UHFFFAOYSA-N 1 2 277.368 1.451 20 30 CDEDLO C#CCCC[NH+]1CC2(C1)CN([C@H](C)CC)C(=O)CO2 ZINC001273537406 920429874 /nfs/dbraw/zinc/42/98/74/920429874.db2.gz HOAKPXTXPTTXJV-CYBMUJFWSA-N 1 2 264.369 1.112 20 30 CDEDLO N#Cc1cccc(N2CC[NH+](Cc3ccncn3)CC2)c1 ZINC001140351484 936706014 /nfs/dbraw/zinc/70/60/14/936706014.db2.gz XXYSQHBANCLELT-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CC2(C)CC2)C1 ZINC001108081554 921959495 /nfs/dbraw/zinc/95/94/95/921959495.db2.gz ZGFURWYERLOMJQ-OAHLLOKOSA-N 1 2 266.385 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CC2(C)CC2)C1 ZINC001108081554 921959502 /nfs/dbraw/zinc/95/95/02/921959502.db2.gz ZGFURWYERLOMJQ-OAHLLOKOSA-N 1 2 266.385 1.570 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCCC2)cn1 ZINC001140544151 936722654 /nfs/dbraw/zinc/72/26/54/936722654.db2.gz DTTZSDYYAJGWCC-INIZCTEOSA-N 1 2 298.390 1.930 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)cn1 ZINC001140544151 936722655 /nfs/dbraw/zinc/72/26/55/936722655.db2.gz DTTZSDYYAJGWCC-INIZCTEOSA-N 1 2 298.390 1.930 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)OCCCc1[nH+]ccn1C ZINC000835329532 936729162 /nfs/dbraw/zinc/72/91/62/936729162.db2.gz FECBXWCXWJXQCS-UHFFFAOYSA-N 1 2 272.308 1.718 20 30 CDEDLO C[NH+]1CC(NC(=O)c2cccc(C(C)(C)C#N)c2)C1 ZINC001190943169 922294834 /nfs/dbraw/zinc/29/48/34/922294834.db2.gz UENRACAJOVKPPD-UHFFFAOYSA-N 1 2 257.337 1.532 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2coc(C)c2)[C@@H](O)C1 ZINC001090226546 922707552 /nfs/dbraw/zinc/70/75/52/922707552.db2.gz WMXCQKXINVVVET-OLZOCXBDSA-N 1 2 298.770 1.506 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2coc(C)c2)[C@@H](O)C1 ZINC001090226546 922707560 /nfs/dbraw/zinc/70/75/60/922707560.db2.gz WMXCQKXINVVVET-OLZOCXBDSA-N 1 2 298.770 1.506 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)C2CC2)C1 ZINC001108150324 922789586 /nfs/dbraw/zinc/78/95/86/922789586.db2.gz AKMLSYLWLWLOEI-MRXNPFEDSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)C2CC2)C1 ZINC001108150324 922789593 /nfs/dbraw/zinc/78/95/93/922789593.db2.gz AKMLSYLWLWLOEI-MRXNPFEDSA-N 1 2 280.412 1.816 20 30 CDEDLO Cc1ncc(C(=O)NCCOc2cc[nH+]cc2)cc1C#N ZINC001192301415 923016413 /nfs/dbraw/zinc/01/64/13/923016413.db2.gz QETICZKGBRVDED-UHFFFAOYSA-N 1 2 282.303 1.466 20 30 CDEDLO CN1CC[C@@]2(CCC[N@@H+]2Cc2cccc(C#N)c2F)C1=O ZINC001273640813 923131633 /nfs/dbraw/zinc/13/16/33/923131633.db2.gz AVCGSXIOTUHZEU-INIZCTEOSA-N 1 2 287.338 1.894 20 30 CDEDLO CN1CC[C@@]2(CCC[N@H+]2Cc2cccc(C#N)c2F)C1=O ZINC001273640813 923131637 /nfs/dbraw/zinc/13/16/37/923131637.db2.gz AVCGSXIOTUHZEU-INIZCTEOSA-N 1 2 287.338 1.894 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccnc2)C1 ZINC001079352084 924273205 /nfs/dbraw/zinc/27/32/05/924273205.db2.gz IBZZXUOPBXMOOE-ZWNOBZJWSA-N 1 2 279.771 1.884 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccnc2)C1 ZINC001079352084 924273213 /nfs/dbraw/zinc/27/32/13/924273213.db2.gz IBZZXUOPBXMOOE-ZWNOBZJWSA-N 1 2 279.771 1.884 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]nc2C)C1 ZINC001080229806 924508221 /nfs/dbraw/zinc/50/82/21/924508221.db2.gz DWRLJFGUHBIIMJ-PRHODGIISA-N 1 2 282.775 1.521 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]nc2C)C1 ZINC001080229806 924508226 /nfs/dbraw/zinc/50/82/26/924508226.db2.gz DWRLJFGUHBIIMJ-PRHODGIISA-N 1 2 282.775 1.521 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CCC[N@H+](CC(=C)Cl)CC1 ZINC001195652822 924688474 /nfs/dbraw/zinc/68/84/74/924688474.db2.gz YRCHLECWFIJDHT-AWEZNQCLSA-N 1 2 286.803 1.600 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N1CCC[N@@H+](CC(=C)Cl)CC1 ZINC001195652822 924688476 /nfs/dbraw/zinc/68/84/76/924688476.db2.gz YRCHLECWFIJDHT-AWEZNQCLSA-N 1 2 286.803 1.600 20 30 CDEDLO C=CCCC(=O)NC[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001100942397 936948190 /nfs/dbraw/zinc/94/81/90/936948190.db2.gz VGJOLZUENXKIRD-CYBMUJFWSA-N 1 2 274.368 1.694 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2CC)[C@H](OC)C1 ZINC001082073920 924855872 /nfs/dbraw/zinc/85/58/72/924855872.db2.gz BHPFVTKANKOKJX-HZPDHXFCSA-N 1 2 286.375 1.311 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CC)[C@H](OC)C1 ZINC001082073920 924855875 /nfs/dbraw/zinc/85/58/75/924855875.db2.gz BHPFVTKANKOKJX-HZPDHXFCSA-N 1 2 286.375 1.311 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@]23C[C@H]2CCCC3)[C@H](OC)C1 ZINC001082114627 924866724 /nfs/dbraw/zinc/86/67/24/924866724.db2.gz OTJJCZLNDVPNJU-IXYNUQLISA-N 1 2 276.380 1.015 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@]23C[C@H]2CCCC3)[C@H](OC)C1 ZINC001082114627 924866732 /nfs/dbraw/zinc/86/67/32/924866732.db2.gz OTJJCZLNDVPNJU-IXYNUQLISA-N 1 2 276.380 1.015 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C=C)cc2)[C@H](OC)C1 ZINC001082162740 924874594 /nfs/dbraw/zinc/87/45/94/924874594.db2.gz STIOYFTZXZMTQA-HZPDHXFCSA-N 1 2 284.359 1.392 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C=C)cc2)[C@H](OC)C1 ZINC001082162740 924874598 /nfs/dbraw/zinc/87/45/98/924874598.db2.gz STIOYFTZXZMTQA-HZPDHXFCSA-N 1 2 284.359 1.392 20 30 CDEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3sccc3F)[C@H]2C1 ZINC001083072702 925084510 /nfs/dbraw/zinc/08/45/10/925084510.db2.gz UNTBHFONOKDWQH-NWDGAFQWSA-N 1 2 296.367 1.598 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3sccc3F)[C@H]2C1 ZINC001083072702 925084518 /nfs/dbraw/zinc/08/45/18/925084518.db2.gz UNTBHFONOKDWQH-NWDGAFQWSA-N 1 2 296.367 1.598 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2sccc2CC)[C@@H](O)C1 ZINC001084086748 925141121 /nfs/dbraw/zinc/14/11/21/925141121.db2.gz NEVFGBCPXZBILF-NEPJUHHUSA-N 1 2 280.393 1.271 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2sccc2CC)[C@@H](O)C1 ZINC001084086748 925141129 /nfs/dbraw/zinc/14/11/29/925141129.db2.gz NEVFGBCPXZBILF-NEPJUHHUSA-N 1 2 280.393 1.271 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(F)cc(N(C)C)c2)CC1 ZINC001198121665 925340210 /nfs/dbraw/zinc/34/02/10/925340210.db2.gz QMAGQEMSDLHVKM-UHFFFAOYSA-N 1 2 291.370 1.836 20 30 CDEDLO COc1ccc(C[N@@H+]2CCC[C@]23CCN(C)C3=O)c(C#N)c1 ZINC001273239281 925474964 /nfs/dbraw/zinc/47/49/64/925474964.db2.gz BDKGFGGXBBJIIK-QGZVFWFLSA-N 1 2 299.374 1.764 20 30 CDEDLO COc1ccc(C[N@H+]2CCC[C@]23CCN(C)C3=O)c(C#N)c1 ZINC001273239281 925474969 /nfs/dbraw/zinc/47/49/69/925474969.db2.gz BDKGFGGXBBJIIK-QGZVFWFLSA-N 1 2 299.374 1.764 20 30 CDEDLO C#CCSCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000820375135 925521481 /nfs/dbraw/zinc/52/14/81/925521481.db2.gz YCMBOYORNLDXTQ-ZDUSSCGKSA-N 1 2 292.408 1.273 20 30 CDEDLO C#CCSCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000820375135 925521483 /nfs/dbraw/zinc/52/14/83/925521483.db2.gz YCMBOYORNLDXTQ-ZDUSSCGKSA-N 1 2 292.408 1.273 20 30 CDEDLO C=CCn1cccc1C(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001102008145 937036038 /nfs/dbraw/zinc/03/60/38/937036038.db2.gz DQXFOUGQQPKWCL-UHFFFAOYSA-N 1 2 299.378 1.957 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(F)nc1 ZINC001085518442 926107114 /nfs/dbraw/zinc/10/71/14/926107114.db2.gz RORGXCGCHLDFND-GFCCVEGCSA-N 1 2 261.300 1.000 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(F)nc1 ZINC001085518442 926107119 /nfs/dbraw/zinc/10/71/19/926107119.db2.gz RORGXCGCHLDFND-GFCCVEGCSA-N 1 2 261.300 1.000 20 30 CDEDLO CN(C[C@H]1CC[N@@H+]1C/C=C\Cl)C(=O)c1cc(C#N)c[nH]1 ZINC001085536282 926124987 /nfs/dbraw/zinc/12/49/87/926124987.db2.gz YVYVPYDUQUIJOA-DTRQGZQOSA-N 1 2 292.770 1.785 20 30 CDEDLO CN(C[C@H]1CC[N@H+]1C/C=C\Cl)C(=O)c1cc(C#N)c[nH]1 ZINC001085536282 926124989 /nfs/dbraw/zinc/12/49/89/926124989.db2.gz YVYVPYDUQUIJOA-DTRQGZQOSA-N 1 2 292.770 1.785 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ncc(C)cc1OC ZINC001085646339 926244005 /nfs/dbraw/zinc/24/40/05/926244005.db2.gz YKWZPYAWIAVODV-CYBMUJFWSA-N 1 2 287.363 1.178 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncc(C)cc1OC ZINC001085646339 926244010 /nfs/dbraw/zinc/24/40/10/926244010.db2.gz YKWZPYAWIAVODV-CYBMUJFWSA-N 1 2 287.363 1.178 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1conc1C(C)C ZINC001085638255 926249329 /nfs/dbraw/zinc/24/93/29/926249329.db2.gz MPIIEJHJBSSLAZ-GFCCVEGCSA-N 1 2 275.352 1.578 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1conc1C(C)C ZINC001085638255 926249337 /nfs/dbraw/zinc/24/93/37/926249337.db2.gz MPIIEJHJBSSLAZ-GFCCVEGCSA-N 1 2 275.352 1.578 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc2cc[nH]c2c1 ZINC001085664579 926259942 /nfs/dbraw/zinc/25/99/42/926259942.db2.gz ORQJMLYKKOALIB-ZDUSSCGKSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc2cc[nH]c2c1 ZINC001085664579 926259950 /nfs/dbraw/zinc/25/99/50/926259950.db2.gz ORQJMLYKKOALIB-ZDUSSCGKSA-N 1 2 282.347 1.342 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1Cc2ccccc2O1 ZINC001085706824 926313379 /nfs/dbraw/zinc/31/33/79/926313379.db2.gz XJGYIHHRMXOFTD-GDBMZVCRSA-N 1 2 284.359 1.156 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1Cc2ccccc2O1 ZINC001085706824 926313388 /nfs/dbraw/zinc/31/33/88/926313388.db2.gz XJGYIHHRMXOFTD-GDBMZVCRSA-N 1 2 284.359 1.156 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2ccccc2nn1 ZINC001085755261 926361732 /nfs/dbraw/zinc/36/17/32/926361732.db2.gz BAIFTOQVEZAJEW-CQSZACIVSA-N 1 2 294.358 1.409 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2ccccc2nn1 ZINC001085755261 926361740 /nfs/dbraw/zinc/36/17/40/926361740.db2.gz BAIFTOQVEZAJEW-CQSZACIVSA-N 1 2 294.358 1.409 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001085812303 926418751 /nfs/dbraw/zinc/41/87/51/926418751.db2.gz AJJSWACORLZXPD-VIFPVBQESA-N 1 2 282.294 1.127 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001085812303 926418756 /nfs/dbraw/zinc/41/87/56/926418756.db2.gz AJJSWACORLZXPD-VIFPVBQESA-N 1 2 282.294 1.127 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1sc(C)nc1C ZINC001085962812 926547030 /nfs/dbraw/zinc/54/70/30/926547030.db2.gz PTCDFQDPDOYVCS-CYBMUJFWSA-N 1 2 291.420 1.930 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1sc(C)nc1C ZINC001085962812 926547039 /nfs/dbraw/zinc/54/70/39/926547039.db2.gz PTCDFQDPDOYVCS-CYBMUJFWSA-N 1 2 291.420 1.930 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc2[nH]c(=O)oc21 ZINC001086006653 926596381 /nfs/dbraw/zinc/59/63/81/926596381.db2.gz KSJTVWOVRNHQJK-NSHDSACASA-N 1 2 299.330 1.313 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc2[nH]c(=O)oc21 ZINC001086006653 926596388 /nfs/dbraw/zinc/59/63/88/926596388.db2.gz KSJTVWOVRNHQJK-NSHDSACASA-N 1 2 299.330 1.313 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cccnc2F)C1=O ZINC001273399147 926722891 /nfs/dbraw/zinc/72/28/91/926722891.db2.gz DDUXALPRTWVCFZ-MRXNPFEDSA-N 1 2 289.354 1.974 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cccnc2F)C1=O ZINC001273399147 926722901 /nfs/dbraw/zinc/72/29/01/926722901.db2.gz DDUXALPRTWVCFZ-MRXNPFEDSA-N 1 2 289.354 1.974 20 30 CDEDLO C[C@@]1(CO)CC[N@H+](Cc2c(F)ccc(C#N)c2F)C[C@@H]1O ZINC001143164812 937127305 /nfs/dbraw/zinc/12/73/05/937127305.db2.gz OQHNBDDELZTRPZ-ZFWWWQNUSA-N 1 2 296.317 1.402 20 30 CDEDLO C[C@@]1(CO)CC[N@@H+](Cc2c(F)ccc(C#N)c2F)C[C@@H]1O ZINC001143164812 937127306 /nfs/dbraw/zinc/12/73/06/937127306.db2.gz OQHNBDDELZTRPZ-ZFWWWQNUSA-N 1 2 296.317 1.402 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2CO)c1F ZINC001143164715 937127606 /nfs/dbraw/zinc/12/76/06/937127606.db2.gz OPGUNVWBPDGJKN-JTQLQIEISA-N 1 2 252.264 1.793 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2CO)c1F ZINC001143164715 937127608 /nfs/dbraw/zinc/12/76/08/937127608.db2.gz OPGUNVWBPDGJKN-JTQLQIEISA-N 1 2 252.264 1.793 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2[nH]ncc2F)C1 ZINC001103411872 937140670 /nfs/dbraw/zinc/14/06/70/937140670.db2.gz DTBGOTGIMYJTIF-VXGBXAGGSA-N 1 2 292.358 1.260 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2[nH]ncc2F)C1 ZINC001103411872 937140671 /nfs/dbraw/zinc/14/06/71/937140671.db2.gz DTBGOTGIMYJTIF-VXGBXAGGSA-N 1 2 292.358 1.260 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H](C)COC)C1 ZINC001108312794 927384746 /nfs/dbraw/zinc/38/47/46/927384746.db2.gz QHPHECNAUQSTBR-ZFWWWQNUSA-N 1 2 284.400 1.052 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H](C)COC)C1 ZINC001108312794 927384757 /nfs/dbraw/zinc/38/47/57/927384757.db2.gz QHPHECNAUQSTBR-ZFWWWQNUSA-N 1 2 284.400 1.052 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@]2(C)C[N@H+](CC=C)CCO2)cn1 ZINC001108350074 927426605 /nfs/dbraw/zinc/42/66/05/927426605.db2.gz UOOPXCYXDXBAMA-QGZVFWFLSA-N 1 2 299.374 1.070 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@]2(C)C[N@@H+](CC=C)CCO2)cn1 ZINC001108350074 927426607 /nfs/dbraw/zinc/42/66/07/927426607.db2.gz UOOPXCYXDXBAMA-QGZVFWFLSA-N 1 2 299.374 1.070 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1ncnc2c1ccn2C1CCCC1 ZINC001156320113 928041333 /nfs/dbraw/zinc/04/13/33/928041333.db2.gz RANXBUUJJKALHV-ZDUSSCGKSA-N 1 2 296.378 1.848 20 30 CDEDLO Cc1cc(Cl)nc(C(F)(F)N2CC[NH2+]C[C@@H]2C#N)c1 ZINC001156320284 928042165 /nfs/dbraw/zinc/04/21/65/928042165.db2.gz VQWFEGQJZOIBBB-VIFPVBQESA-N 1 2 286.713 1.890 20 30 CDEDLO Cc1nc(C2CC2)nc(Cl)c1N1CC[NH2+]C[C@@H]1C#N ZINC001156327917 928129119 /nfs/dbraw/zinc/12/91/19/928129119.db2.gz RZMDRCDWGKDSMU-JTQLQIEISA-N 1 2 277.759 1.618 20 30 CDEDLO C[C@@H](CNc1ccc(C#N)cn1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001108762839 928627740 /nfs/dbraw/zinc/62/77/40/928627740.db2.gz FADRGRWRIFHJMH-NSHDSACASA-N 1 2 298.350 1.226 20 30 CDEDLO C[C@@H](CNc1ccc(C#N)cn1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001108762839 928627745 /nfs/dbraw/zinc/62/77/45/928627745.db2.gz FADRGRWRIFHJMH-NSHDSACASA-N 1 2 298.350 1.226 20 30 CDEDLO Cc1nc(N(C)C[C@H](C)NC(=O)C#CC(C)C)cc[nH+]1 ZINC001108938052 928731210 /nfs/dbraw/zinc/73/12/10/928731210.db2.gz GEGIELWNTYBWAN-LBPRGKRZSA-N 1 2 274.368 1.385 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)CCCC(C)=O)CC1 ZINC001112612294 929259408 /nfs/dbraw/zinc/25/94/08/929259408.db2.gz NUZZMQXOOBUQBH-UHFFFAOYSA-N 1 2 252.358 1.466 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCOCC(C)C)CC1 ZINC001112642680 929272962 /nfs/dbraw/zinc/27/29/62/929272962.db2.gz BHPOWTYCFREATE-UHFFFAOYSA-N 1 2 266.385 1.217 20 30 CDEDLO C=C(C)C(=O)NCCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001151975523 937324199 /nfs/dbraw/zinc/32/41/99/937324199.db2.gz BFTOYHFVHDNTTF-UHFFFAOYSA-N 1 2 286.335 1.375 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(C)o3)C[C@H]21 ZINC001114349244 929625752 /nfs/dbraw/zinc/62/57/52/929625752.db2.gz VQMKKMBEBMZTJF-VIKVFOODSA-N 1 2 289.379 1.886 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C)o3)C[C@H]21 ZINC001114349244 929625762 /nfs/dbraw/zinc/62/57/62/929625762.db2.gz VQMKKMBEBMZTJF-VIKVFOODSA-N 1 2 289.379 1.886 20 30 CDEDLO C#CCC[C@@H](O)CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000798421631 937354895 /nfs/dbraw/zinc/35/48/95/937354895.db2.gz UIKABXGKOALAMB-CYBMUJFWSA-N 1 2 274.368 1.653 20 30 CDEDLO C#CCC[C@@H](O)CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000798421631 937354898 /nfs/dbraw/zinc/35/48/98/937354898.db2.gz UIKABXGKOALAMB-CYBMUJFWSA-N 1 2 274.368 1.653 20 30 CDEDLO Cn1c[nH+]cc1C[S@@](=O)CCCC(C)(C)C#N ZINC001116255967 937438646 /nfs/dbraw/zinc/43/86/46/937438646.db2.gz ROWUYHNYROZILQ-KRWDZBQOSA-N 1 2 253.371 1.999 20 30 CDEDLO C#CCOCC[N@@H+](C)[C@@H](C)c1nc(C(C)C)no1 ZINC001116401019 937446806 /nfs/dbraw/zinc/44/68/06/937446806.db2.gz BBUYZNSXHWIOSZ-NSHDSACASA-N 1 2 251.330 1.836 20 30 CDEDLO C#CCOCC[N@H+](C)[C@@H](C)c1nc(C(C)C)no1 ZINC001116401019 937446809 /nfs/dbraw/zinc/44/68/09/937446809.db2.gz BBUYZNSXHWIOSZ-NSHDSACASA-N 1 2 251.330 1.836 20 30 CDEDLO C#CCN1c2ccccc2C2(CC[NH+](CCC#N)CC2)C1=O ZINC001274030172 931128354 /nfs/dbraw/zinc/12/83/54/931128354.db2.gz FIMFSRMCBVZHQW-UHFFFAOYSA-N 1 2 293.370 1.914 20 30 CDEDLO COC(C)(C)CNC(=O)[C@H]1CC12CC[NH+](CCC#N)CC2 ZINC001274032717 931132575 /nfs/dbraw/zinc/13/25/75/931132575.db2.gz VIRVUIOICMYFTK-CYBMUJFWSA-N 1 2 293.411 1.543 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2cncc(C#N)c2)Cc2ncn(C)c21 ZINC001144075140 931648055 /nfs/dbraw/zinc/64/80/55/931648055.db2.gz KDUXEAXLZDSPFD-AWEZNQCLSA-N 1 2 297.362 1.433 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)Cc2ncn(C)c21 ZINC001144075140 931648056 /nfs/dbraw/zinc/64/80/56/931648056.db2.gz KDUXEAXLZDSPFD-AWEZNQCLSA-N 1 2 297.362 1.433 20 30 CDEDLO N#Cc1cncc(C[NH+]2CC3(C2)C[C@@H](F)CS3)c1 ZINC001144083532 931652887 /nfs/dbraw/zinc/65/28/87/931652887.db2.gz JIMIHOOPBYYFLZ-GFCCVEGCSA-N 1 2 263.341 1.983 20 30 CDEDLO C=C(C(=O)NCc1c[nH+]cn1CCOC)C(F)(F)F ZINC001144213132 931702071 /nfs/dbraw/zinc/70/20/71/931702071.db2.gz GCHSSTWKQKFGLO-UHFFFAOYSA-N 1 2 277.246 1.264 20 30 CDEDLO C=C(Cc1ccccc1)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001144405282 931801412 /nfs/dbraw/zinc/80/14/12/931801412.db2.gz LCRNDSCOHVAKSZ-OAHLLOKOSA-N 1 2 288.391 1.622 20 30 CDEDLO C=C(Cc1ccccc1)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001144405282 931801416 /nfs/dbraw/zinc/80/14/16/931801416.db2.gz LCRNDSCOHVAKSZ-OAHLLOKOSA-N 1 2 288.391 1.622 20 30 CDEDLO Cc1nc(N2CCC(NC(=O)C#CC(C)C)CC2)cc[nH+]1 ZINC001095413798 931822435 /nfs/dbraw/zinc/82/24/35/931822435.db2.gz MCTISJCWLXTBLO-UHFFFAOYSA-N 1 2 286.379 1.529 20 30 CDEDLO CCc1cc(C(=O)N2CC3(CC[N@@H+]3C)C2)ccc1C#N ZINC001275677929 931949819 /nfs/dbraw/zinc/94/98/19/931949819.db2.gz OBNOFBRBKCSYCZ-UHFFFAOYSA-N 1 2 269.348 1.651 20 30 CDEDLO CCc1cc(C(=O)N2CC3(CC[N@H+]3C)C2)ccc1C#N ZINC001275677929 931949824 /nfs/dbraw/zinc/94/98/24/931949824.db2.gz OBNOFBRBKCSYCZ-UHFFFAOYSA-N 1 2 269.348 1.651 20 30 CDEDLO C[C@H](Cc1cccc(C#N)c1)N1CC[NH2+]C[C@H]1C#N ZINC001171208379 931962869 /nfs/dbraw/zinc/96/28/69/931962869.db2.gz BFVDOVPGYVXCSR-IUODEOHRSA-N 1 2 254.337 1.287 20 30 CDEDLO Cc1nc(N[C@@H]2CC[C@H](CNC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001091571913 932262753 /nfs/dbraw/zinc/26/27/53/932262753.db2.gz XPOQGZLEFQCGAC-LSDHHAIUSA-N 1 2 298.390 1.895 20 30 CDEDLO Cc1cc(Cl)nc(NC[C@@H]2C[N@H+](C)CCO2)c1C#N ZINC001155194553 937647410 /nfs/dbraw/zinc/64/74/10/937647410.db2.gz TXSNZYPFUOJZCL-SNVBAGLBSA-N 1 2 280.759 1.658 20 30 CDEDLO Cc1cc(Cl)nc(NC[C@@H]2C[N@@H+](C)CCO2)c1C#N ZINC001155194553 937647412 /nfs/dbraw/zinc/64/74/12/937647412.db2.gz TXSNZYPFUOJZCL-SNVBAGLBSA-N 1 2 280.759 1.658 20 30 CDEDLO CN1CC[N@H+](C[C@H](O)CC#N)[C@H](Cc2ccccc2)C1 ZINC000930856326 933464803 /nfs/dbraw/zinc/46/48/03/933464803.db2.gz NNXWUUKWBWRLIU-HZPDHXFCSA-N 1 2 273.380 1.120 20 30 CDEDLO CN1CC[N@@H+](C[C@H](O)CC#N)[C@H](Cc2ccccc2)C1 ZINC000930856326 933464807 /nfs/dbraw/zinc/46/48/07/933464807.db2.gz NNXWUUKWBWRLIU-HZPDHXFCSA-N 1 2 273.380 1.120 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnc(C)n2C)C1 ZINC001046570212 935960073 /nfs/dbraw/zinc/96/00/73/935960073.db2.gz WZEVXMYQCOVHCA-CQSZACIVSA-N 1 2 296.802 1.675 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnc(C)n2C)C1 ZINC001046570212 935960075 /nfs/dbraw/zinc/96/00/75/935960075.db2.gz WZEVXMYQCOVHCA-CQSZACIVSA-N 1 2 296.802 1.675 20 30 CDEDLO Cc1nc(N[C@H]2CCN(C(=O)C#CC(C)C)[C@@H]2C)cc[nH+]1 ZINC001122976823 936095961 /nfs/dbraw/zinc/09/59/61/936095961.db2.gz FDKXAUVSFRSCQG-OCCSQVGLSA-N 1 2 286.379 1.846 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=COCCO1)C2 ZINC001096751401 936215564 /nfs/dbraw/zinc/21/55/64/936215564.db2.gz AHWAYSNXCRPADL-UTUOFQBUSA-N 1 2 298.770 1.349 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=COCCO1)C2 ZINC001096751401 936215568 /nfs/dbraw/zinc/21/55/68/936215568.db2.gz AHWAYSNXCRPADL-UTUOFQBUSA-N 1 2 298.770 1.349 20 30 CDEDLO Cc1nc(N[C@H]2CCN(C(=O)CSCC#N)C2)cc[nH+]1 ZINC001096918173 936238093 /nfs/dbraw/zinc/23/80/93/936238093.db2.gz MPXAXDNHNKSMNP-NSHDSACASA-N 1 2 291.380 1.055 20 30 CDEDLO C#CCN(CC)c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1C ZINC001121427949 937871256 /nfs/dbraw/zinc/87/12/56/937871256.db2.gz NNDVUAVAQDQENN-ZDUSSCGKSA-N 1 2 291.399 1.056 20 30 CDEDLO C#CCN(CC)c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1C ZINC001121427949 937871257 /nfs/dbraw/zinc/87/12/57/937871257.db2.gz NNDVUAVAQDQENN-ZDUSSCGKSA-N 1 2 291.399 1.056 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3[nH]c(NC)nc3c2)CC1 ZINC001156275536 938344455 /nfs/dbraw/zinc/34/44/55/938344455.db2.gz RAWJTCBHVYNQQG-UHFFFAOYSA-N 1 2 299.378 1.548 20 30 CDEDLO Cc1cccc2ncc(N3CC[NH2+]C[C@@H]3C#N)nc12 ZINC001156319858 938351051 /nfs/dbraw/zinc/35/10/51/938351051.db2.gz HKAYAUZFLKPRQS-NSHDSACASA-N 1 2 253.309 1.240 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1c1cc(-c2nc(C3CC3)no2)ccn1 ZINC001156332338 938353193 /nfs/dbraw/zinc/35/31/93/938353193.db2.gz JSIUAMNEKNXACS-LBPRGKRZSA-N 1 2 296.334 1.311 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(N[C@@H]3CCC(=O)NC3=O)c2c1 ZINC001156718425 938409990 /nfs/dbraw/zinc/40/99/90/938409990.db2.gz HNBRVLYVKIHODH-GFCCVEGCSA-N 1 2 280.287 1.324 20 30 CDEDLO Cc1c[nH+]c(NC[C@H]2CC(=O)N(C)C2)c(/C=N/O)c1 ZINC001157909316 938560358 /nfs/dbraw/zinc/56/03/58/938560358.db2.gz NPVOOOFTROVJBP-JYMRLUDQSA-N 1 2 262.313 1.088 20 30 CDEDLO CN1C(=O)CC[C@H]2CN(c3cc(CC#N)cc[nH+]3)CC[C@H]21 ZINC001158657066 938647225 /nfs/dbraw/zinc/64/72/25/938647225.db2.gz GYEVBTIKLSHPBP-UONOGXRCSA-N 1 2 284.363 1.595 20 30 CDEDLO COC(=O)C1(C#N)CCN(c2[nH+]ccc(F)c2C)CC1 ZINC001158690322 938650930 /nfs/dbraw/zinc/65/09/30/938650930.db2.gz KBYFSEOECCEWDY-UHFFFAOYSA-N 1 2 277.299 1.812 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ncccc1N ZINC001159921351 938760082 /nfs/dbraw/zinc/76/00/82/938760082.db2.gz QDTTTWCLAXNNIO-LBPRGKRZSA-N 1 2 278.356 1.303 20 30 CDEDLO N#Cc1ccnnc1NCCc1cn2ccccc2[nH+]1 ZINC001162068265 938954490 /nfs/dbraw/zinc/95/44/90/938954490.db2.gz OSGVKSIRVKNVPB-UHFFFAOYSA-N 1 2 264.292 1.651 20 30 CDEDLO COC(=O)[C@@]1(F)CCN(c2ccc(CC#N)c(C)[nH+]2)C1 ZINC001163994033 939376191 /nfs/dbraw/zinc/37/61/91/939376191.db2.gz ZTZHKWYIXJXWBM-CQSZACIVSA-N 1 2 277.299 1.548 20 30 CDEDLO CO[C@@H]1CN(c2[nH+]ccc3[nH]cc(C#N)c32)C[C@@H]1F ZINC001164130097 939416093 /nfs/dbraw/zinc/41/60/93/939416093.db2.gz WVDMWQFGBQWFNC-GXSJLCMTSA-N 1 2 260.272 1.608 20 30 CDEDLO N#CCc1cc[nH+]c(N2CCC[C@](F)(CO)CC2)c1 ZINC001164418315 939472353 /nfs/dbraw/zinc/47/23/53/939472353.db2.gz QSOHCVVVZHXWJU-CQSZACIVSA-N 1 2 263.316 1.839 20 30 CDEDLO Cc1cc(Cl)nc(C(F)(F)N2CC[NH2+]C[C@H]2C#N)c1 ZINC001165180297 939520887 /nfs/dbraw/zinc/52/08/87/939520887.db2.gz VQWFEGQJZOIBBB-SECBINFHSA-N 1 2 286.713 1.890 20 30 CDEDLO C[C@@H]1C(=O)NCCN1c1[nH+]ccc2ccc(C#N)cc21 ZINC001166560322 939613607 /nfs/dbraw/zinc/61/36/07/939613607.db2.gz KRBFHJNTZFXTJR-SNVBAGLBSA-N 1 2 266.304 1.431 20 30 CDEDLO N#Cc1ccc(N2CCCN(c3cc(N)nc[nH+]3)CC2)nc1 ZINC001166844291 939643586 /nfs/dbraw/zinc/64/35/86/939643586.db2.gz ZHHOHEWZHZVIFW-UHFFFAOYSA-N 1 2 295.350 1.042 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3cnoc3)CC2)cc1 ZINC001205696611 939921098 /nfs/dbraw/zinc/92/10/98/939921098.db2.gz CXQOJKSARIXLQW-UHFFFAOYSA-N 1 2 268.320 1.868 20 30 CDEDLO CC[C@H]1OC(C)=C(OCCCN2CC[NH+](C)CC2)C1=O ZINC001206589309 940065800 /nfs/dbraw/zinc/06/58/00/940065800.db2.gz DTUHYVKRMOJOAB-CYBMUJFWSA-N 1 2 282.384 1.250 20 30 CDEDLO N#Cc1cc(Nc2ccc(N3CCC(O)CC3)[nH+]c2)ccn1 ZINC001206589177 940066054 /nfs/dbraw/zinc/06/60/54/940066054.db2.gz DRJKKLZLPUGDGS-UHFFFAOYSA-N 1 2 295.346 1.475 20 30 CDEDLO CN(C1C[NH+](CCc2ccc(C#N)cc2)C1)[C@@H]1CCOC1 ZINC001208927484 940407777 /nfs/dbraw/zinc/40/77/77/940407777.db2.gz KXVBDFJBAPIKDO-MRXNPFEDSA-N 1 2 285.391 1.506 20 30 CDEDLO C#CC[NH+]1CCN(C[C@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001208996880 940420584 /nfs/dbraw/zinc/42/05/84/940420584.db2.gz GYFZPIBFLFNWSF-CQSZACIVSA-N 1 2 293.411 1.247 20 30 CDEDLO C=CCN(CC[N@@H+]1CC[C@@](F)(CO)C1)C(=O)OCC ZINC001209017200 940424528 /nfs/dbraw/zinc/42/45/28/940424528.db2.gz LUXREVRTPZQDEY-ZDUSSCGKSA-N 1 2 274.336 1.037 20 30 CDEDLO C=CCN(CC[N@H+]1CC[C@@](F)(CO)C1)C(=O)OCC ZINC001209017200 940424530 /nfs/dbraw/zinc/42/45/30/940424530.db2.gz LUXREVRTPZQDEY-ZDUSSCGKSA-N 1 2 274.336 1.037 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCNc3ccccc32)CC1 ZINC000167428120 940746315 /nfs/dbraw/zinc/74/63/15/940746315.db2.gz KBDKKACNXJECLO-HNNXBMFYSA-N 1 2 285.391 1.916 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(CCC=C)CC2)[C@H](OC)C1 ZINC001213376925 940771544 /nfs/dbraw/zinc/77/15/44/940771544.db2.gz NWYYXLBCMDTMLF-ZIAGYGMSSA-N 1 2 276.380 1.181 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(CCC=C)CC2)[C@H](OC)C1 ZINC001213376925 940771546 /nfs/dbraw/zinc/77/15/46/940771546.db2.gz NWYYXLBCMDTMLF-ZIAGYGMSSA-N 1 2 276.380 1.181 20 30 CDEDLO CCCCCCCCNC(=O)N[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001239222292 945350442 /nfs/dbraw/zinc/35/04/42/945350442.db2.gz DHYWBABSOIRRHH-STQMWFEESA-N 1 2 299.415 1.550 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001220198055 941423385 /nfs/dbraw/zinc/42/33/85/941423385.db2.gz CLYUVTIQEAQXBJ-HXLASYRJSA-N 1 2 286.803 1.503 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001220198055 941423386 /nfs/dbraw/zinc/42/33/86/941423386.db2.gz CLYUVTIQEAQXBJ-HXLASYRJSA-N 1 2 286.803 1.503 20 30 CDEDLO N#Cc1ccc(N2CC3(CC[N@@H+]3Cc3cn[nH]c3)C2)cc1 ZINC001276961041 941739052 /nfs/dbraw/zinc/73/90/52/941739052.db2.gz YVVZVUPFOAPSEP-UHFFFAOYSA-N 1 2 279.347 1.746 20 30 CDEDLO N#Cc1ccc(N2CC3(CC[N@H+]3Cc3cn[nH]c3)C2)cc1 ZINC001276961041 941739054 /nfs/dbraw/zinc/73/90/54/941739054.db2.gz YVVZVUPFOAPSEP-UHFFFAOYSA-N 1 2 279.347 1.746 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(F)ccc3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001225577810 941883656 /nfs/dbraw/zinc/88/36/56/941883656.db2.gz JDKSHYGAQSNZMC-LSVRBPJHSA-N 1 2 294.282 1.725 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(F)ccc3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001225577810 941883663 /nfs/dbraw/zinc/88/36/63/941883663.db2.gz JDKSHYGAQSNZMC-LSVRBPJHSA-N 1 2 294.282 1.725 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nccc4ncccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226540023 942022029 /nfs/dbraw/zinc/02/20/29/942022029.db2.gz BVPHEPGQJGSPPJ-BSRWDCPYSA-N 1 2 283.331 1.621 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nccc4ncccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226540023 942022032 /nfs/dbraw/zinc/02/20/32/942022032.db2.gz BVPHEPGQJGSPPJ-BSRWDCPYSA-N 1 2 283.331 1.621 20 30 CDEDLO Cn1ncc2cc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@H+]4C)ccc21 ZINC001226939999 942097666 /nfs/dbraw/zinc/09/76/66/942097666.db2.gz OICKAGPIGFKWHN-KNMAVKMESA-N 1 2 285.347 1.565 20 30 CDEDLO Cn1ncc2cc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@@H+]4C)ccc21 ZINC001226939999 942097670 /nfs/dbraw/zinc/09/76/70/942097670.db2.gz OICKAGPIGFKWHN-KNMAVKMESA-N 1 2 285.347 1.565 20 30 CDEDLO Cc1nc(C[NH+]2CCC(NC(=O)C#CC(C)C)CC2)co1 ZINC001227266042 942160563 /nfs/dbraw/zinc/16/05/63/942160563.db2.gz SMMCPYICYKTROY-UHFFFAOYSA-N 1 2 289.379 1.723 20 30 CDEDLO CC(C)C#CC(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC001227265728 942161056 /nfs/dbraw/zinc/16/10/56/942161056.db2.gz NNGVFHZFNLXHLJ-UHFFFAOYSA-N 1 2 291.420 1.883 20 30 CDEDLO C=C(C)CCC(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001227588775 942191748 /nfs/dbraw/zinc/19/17/48/942191748.db2.gz VXASMVBGGLIORE-UHFFFAOYSA-N 1 2 290.411 1.857 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)/C(C)=C/CC ZINC001230987967 942750706 /nfs/dbraw/zinc/75/07/06/942750706.db2.gz CIGSSUBUETZFIT-GUNGLEHYSA-N 1 2 293.411 1.178 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)/C(C)=C/CC ZINC001230987967 942750707 /nfs/dbraw/zinc/75/07/07/942750707.db2.gz CIGSSUBUETZFIT-GUNGLEHYSA-N 1 2 293.411 1.178 20 30 CDEDLO C=CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(C)[nH]1 ZINC001231209739 942820609 /nfs/dbraw/zinc/82/06/09/942820609.db2.gz XZGZUYSLVWXWLO-CYBMUJFWSA-N 1 2 292.383 1.067 20 30 CDEDLO C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnc(C)[nH]1 ZINC001231209739 942820613 /nfs/dbraw/zinc/82/06/13/942820613.db2.gz XZGZUYSLVWXWLO-CYBMUJFWSA-N 1 2 292.383 1.067 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cncs1 ZINC001231241407 942829575 /nfs/dbraw/zinc/82/95/75/942829575.db2.gz UYXAEHKMCTYHNM-LBPRGKRZSA-N 1 2 295.408 1.378 20 30 CDEDLO C=CCOCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cncs1 ZINC001231241407 942829579 /nfs/dbraw/zinc/82/95/79/942829579.db2.gz UYXAEHKMCTYHNM-LBPRGKRZSA-N 1 2 295.408 1.378 20 30 CDEDLO CCc1nocc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231248101 942834575 /nfs/dbraw/zinc/83/45/75/942834575.db2.gz UOIZYIHWRSZSBI-WCQYABFASA-N 1 2 290.367 1.429 20 30 CDEDLO CCc1nocc1C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231248101 942834583 /nfs/dbraw/zinc/83/45/83/942834583.db2.gz UOIZYIHWRSZSBI-WCQYABFASA-N 1 2 290.367 1.429 20 30 CDEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(=O)[nH]n3)CC2)c1 ZINC001232026128 943105373 /nfs/dbraw/zinc/10/53/73/943105373.db2.gz COPUEXVZCJQXDH-UHFFFAOYSA-N 1 2 295.346 1.376 20 30 CDEDLO CN(C)C(=O)C1C[NH+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232115293 943143023 /nfs/dbraw/zinc/14/30/23/943143023.db2.gz JVGSDPQULWUUAI-UHFFFAOYSA-N 1 2 277.755 1.732 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(SC)nc2)CC1 ZINC001232332962 943221256 /nfs/dbraw/zinc/22/12/56/943221256.db2.gz MUQZETCREFFEJC-UHFFFAOYSA-N 1 2 261.394 1.554 20 30 CDEDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232673555 943354484 /nfs/dbraw/zinc/35/44/84/943354484.db2.gz JAIGYRJFERNAQM-LLVKDONJSA-N 1 2 260.293 1.259 20 30 CDEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232673555 943354487 /nfs/dbraw/zinc/35/44/87/943354487.db2.gz JAIGYRJFERNAQM-LLVKDONJSA-N 1 2 260.293 1.259 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c1 ZINC001232678651 943359823 /nfs/dbraw/zinc/35/98/23/943359823.db2.gz LQQBVCVRXQYGRN-UPUJQMMVSA-N 1 2 270.332 1.873 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c1 ZINC001232678651 943359831 /nfs/dbraw/zinc/35/98/31/943359831.db2.gz LQQBVCVRXQYGRN-UPUJQMMVSA-N 1 2 270.332 1.873 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232679273 943361401 /nfs/dbraw/zinc/36/14/01/943361401.db2.gz IKJSZXRMHBSNQF-CYBMUJFWSA-N 1 2 287.363 1.564 20 30 CDEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232679273 943361407 /nfs/dbraw/zinc/36/14/07/943361407.db2.gz IKJSZXRMHBSNQF-CYBMUJFWSA-N 1 2 287.363 1.564 20 30 CDEDLO N#Cc1cc[nH]c1CN1CC[NH+](Cc2ccccn2)CC1 ZINC001233043175 943473625 /nfs/dbraw/zinc/47/36/25/943473625.db2.gz GAQPEBWBHGXZNZ-UHFFFAOYSA-N 1 2 281.363 1.599 20 30 CDEDLO CC(C)C(=O)NC1CC[NH+](Cc2[nH]ccc2C#N)CC1 ZINC001233047454 943475127 /nfs/dbraw/zinc/47/51/27/943475127.db2.gz ZKZDJWQXQMGIEM-UHFFFAOYSA-N 1 2 274.368 1.623 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cccc(O)c2OC)CC1 ZINC001233257089 943520611 /nfs/dbraw/zinc/52/06/11/943520611.db2.gz NIRQMSSLIHNHPV-UHFFFAOYSA-N 1 2 260.337 1.152 20 30 CDEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc(O)c3[nH]c(=O)ccc23)C1 ZINC001233294499 943533935 /nfs/dbraw/zinc/53/39/35/943533935.db2.gz NRPBMPROZKIDLN-JTQLQIEISA-N 1 2 269.304 1.991 20 30 CDEDLO N#C[C@@H]1CC[N@H+](Cc2ccc(O)c3[nH]c(=O)ccc23)C1 ZINC001233294499 943533937 /nfs/dbraw/zinc/53/39/37/943533937.db2.gz NRPBMPROZKIDLN-JTQLQIEISA-N 1 2 269.304 1.991 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(c3cnccn3)CC2)c(O)c1 ZINC001233383726 943569306 /nfs/dbraw/zinc/56/93/06/943569306.db2.gz UBAILHCKJRIIQH-UHFFFAOYSA-N 1 2 295.346 1.376 20 30 CDEDLO COC(=O)N1CC[NH+](Cc2ccc(C#N)cc2O)CC1 ZINC001233383544 943569678 /nfs/dbraw/zinc/56/96/78/943569678.db2.gz LWZBNFGKLDYMHG-UHFFFAOYSA-N 1 2 275.308 1.148 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)n1cccc1 ZINC001233730533 943646982 /nfs/dbraw/zinc/64/69/82/943646982.db2.gz JGFUYSKUDTZUPN-UONOGXRCSA-N 1 2 259.353 1.215 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)n1cccc1 ZINC001233730533 943646984 /nfs/dbraw/zinc/64/69/84/943646984.db2.gz JGFUYSKUDTZUPN-UONOGXRCSA-N 1 2 259.353 1.215 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)OCCCc1c[nH+]cn1C ZINC001263510217 943883867 /nfs/dbraw/zinc/88/38/67/943883867.db2.gz VLSRHMQPYQDMLK-LBPRGKRZSA-N 1 2 266.341 1.877 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccccc3C=NO)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234820035 943952784 /nfs/dbraw/zinc/95/27/84/943952784.db2.gz RCTLNGASDLBUEA-KYFMZXIUSA-N 1 2 274.320 1.486 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccccc3C=NO)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234820035 943952788 /nfs/dbraw/zinc/95/27/88/943952788.db2.gz RCTLNGASDLBUEA-KYFMZXIUSA-N 1 2 274.320 1.486 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC001235465228 944164362 /nfs/dbraw/zinc/16/43/62/944164362.db2.gz UIURFAMELFIZSS-NSHDSACASA-N 1 2 280.372 1.843 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC001235465228 944164365 /nfs/dbraw/zinc/16/43/65/944164365.db2.gz UIURFAMELFIZSS-NSHDSACASA-N 1 2 280.372 1.843 20 30 CDEDLO N#CCc1ccccc1CN1CCn2c[nH+]cc2C1 ZINC001235530218 944190128 /nfs/dbraw/zinc/19/01/28/944190128.db2.gz SYOHBWWPSXPIGO-UHFFFAOYSA-N 1 2 252.321 1.965 20 30 CDEDLO C#CC[NH+](CC#C)Cc1cc(F)cc(C(=O)OC)c1 ZINC001236787379 944567880 /nfs/dbraw/zinc/56/78/80/944567880.db2.gz XDOQWYNFJGSJQP-UHFFFAOYSA-N 1 2 259.280 1.681 20 30 CDEDLO C=CCS(=O)(=O)NCc1c[nH+]cn1Cc1ccccc1 ZINC001259936308 945724277 /nfs/dbraw/zinc/72/42/77/945724277.db2.gz PFPZDOBOVUMFCL-UHFFFAOYSA-N 1 2 291.376 1.537 20 30 CDEDLO CC[C@@H](C(=O)NC1=NO[C@@H](C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001362431514 971264447 /nfs/dbraw/zinc/26/44/47/971264447.db2.gz WVDZPKIZHGRLPL-TUAOUCFPSA-N 1 2 283.372 1.114 20 30 CDEDLO CC[C@@H](C(=O)NC1=NO[C@@H](C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC001362431514 971264451 /nfs/dbraw/zinc/26/44/51/971264451.db2.gz WVDZPKIZHGRLPL-TUAOUCFPSA-N 1 2 283.372 1.114 20 30 CDEDLO CCOC(=O)C1CCC([NH2+][C@@H](CS)C(=O)OC)CC1 ZINC001255251501 947789020 /nfs/dbraw/zinc/78/90/20/947789020.db2.gz MJKSMFCRRUCYBB-ILDUYXDCSA-N 1 2 289.397 1.169 20 30 CDEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1[C@@H](C)COC ZINC001255568327 947990901 /nfs/dbraw/zinc/99/09/01/947990901.db2.gz BAWFQBLIOBKPTC-GXTWGEPZSA-N 1 2 294.399 1.435 20 30 CDEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1[C@@H](C)COC ZINC001255568327 947990909 /nfs/dbraw/zinc/99/09/09/947990909.db2.gz BAWFQBLIOBKPTC-GXTWGEPZSA-N 1 2 294.399 1.435 20 30 CDEDLO N#Cc1ccc2c(c1)C[N@H+](C1CCS(=O)(=O)CC1)CC2 ZINC001256386191 948298272 /nfs/dbraw/zinc/29/82/72/948298272.db2.gz JETHURHDGFIQBL-UHFFFAOYSA-N 1 2 290.388 1.494 20 30 CDEDLO N#Cc1ccc2c(c1)C[N@@H+](C1CCS(=O)(=O)CC1)CC2 ZINC001256386191 948298280 /nfs/dbraw/zinc/29/82/80/948298280.db2.gz JETHURHDGFIQBL-UHFFFAOYSA-N 1 2 290.388 1.494 20 30 CDEDLO CCc1ccc(C[C@H](C)[N@@H+]2CCN[C@H](C#N)C2)cc1 ZINC001246837587 948470319 /nfs/dbraw/zinc/47/03/19/948470319.db2.gz QWQGNVBZFPXWIM-XJKSGUPXSA-N 1 2 257.381 1.977 20 30 CDEDLO CCc1ccc(C[C@H](C)[N@H+]2CCN[C@H](C#N)C2)cc1 ZINC001246837587 948470324 /nfs/dbraw/zinc/47/03/24/948470324.db2.gz QWQGNVBZFPXWIM-XJKSGUPXSA-N 1 2 257.381 1.977 20 30 CDEDLO N#C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(F)cc2F)C1 ZINC001250858520 950431151 /nfs/dbraw/zinc/43/11/51/950431151.db2.gz WVIHCJVBEWOEBL-YPMHNXCESA-N 1 2 296.317 1.940 20 30 CDEDLO N#C[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(F)cc2F)C1 ZINC001250858520 950431165 /nfs/dbraw/zinc/43/11/65/950431165.db2.gz WVIHCJVBEWOEBL-YPMHNXCESA-N 1 2 296.317 1.940 20 30 CDEDLO C=CCOC[C@@H](O)CNc1cc([C@H](C)O)cc[nH+]1 ZINC001252459037 951303115 /nfs/dbraw/zinc/30/31/15/951303115.db2.gz UABTYJLMYXQWGU-JQWIXIFHSA-N 1 2 252.314 1.110 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCn2cnc(COCC)c2C1 ZINC001252598944 951492548 /nfs/dbraw/zinc/49/25/48/951492548.db2.gz UPGAUCVXOYGLJK-CYBMUJFWSA-N 1 2 279.384 1.562 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCn2cnc(COCC)c2C1 ZINC001252598944 951492552 /nfs/dbraw/zinc/49/25/52/951492552.db2.gz UPGAUCVXOYGLJK-CYBMUJFWSA-N 1 2 279.384 1.562 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)Nc1cc(C#N)c(F)cc1F ZINC001365277117 955814186 /nfs/dbraw/zinc/81/41/86/955814186.db2.gz PTXFRVXUVVQVIO-UHFFFAOYSA-N 1 2 291.261 1.892 20 30 CDEDLO N#CCCOCC[N@@H+]1CCCC[C@H]1c1ncccn1 ZINC001308047857 956461291 /nfs/dbraw/zinc/46/12/91/956461291.db2.gz PXFJUUYTHKXGDL-ZDUSSCGKSA-N 1 2 260.341 1.934 20 30 CDEDLO N#CCCOCC[N@H+]1CCCC[C@H]1c1ncccn1 ZINC001308047857 956461298 /nfs/dbraw/zinc/46/12/98/956461298.db2.gz PXFJUUYTHKXGDL-ZDUSSCGKSA-N 1 2 260.341 1.934 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](CC)CCC)C1 ZINC001494730818 972298697 /nfs/dbraw/zinc/29/86/97/972298697.db2.gz UZJSXJOPYZRXRH-KBPBESRZSA-N 1 2 295.427 1.305 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)CCC)C1 ZINC001494730818 972298699 /nfs/dbraw/zinc/29/86/99/972298699.db2.gz UZJSXJOPYZRXRH-KBPBESRZSA-N 1 2 295.427 1.305 20 30 CDEDLO C=CCn1cnn(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c1=S ZINC001333234941 958176736 /nfs/dbraw/zinc/17/67/36/958176736.db2.gz WLLPGVIPZJLVLW-LLVKDONJSA-N 1 2 296.396 1.252 20 30 CDEDLO C=CCn1cnn(C[N@H+]2CC[C@@H](C3OCCO3)C2)c1=S ZINC001333234941 958176744 /nfs/dbraw/zinc/17/67/44/958176744.db2.gz WLLPGVIPZJLVLW-LLVKDONJSA-N 1 2 296.396 1.252 20 30 CDEDLO N#Cc1ccc(CCNC(=O)NCc2ccc[nH+]c2N)cc1 ZINC001427992601 958431787 /nfs/dbraw/zinc/43/17/87/958431787.db2.gz OIQNZKNWVFMNPR-UHFFFAOYSA-N 1 2 295.346 1.577 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCCn1cccn1 ZINC001367851387 958432670 /nfs/dbraw/zinc/43/26/70/958432670.db2.gz CMXJGUSBYGVTRA-ZDUSSCGKSA-N 1 2 298.818 1.852 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCCn1cccn1 ZINC001367851387 958432679 /nfs/dbraw/zinc/43/26/79/958432679.db2.gz CMXJGUSBYGVTRA-ZDUSSCGKSA-N 1 2 298.818 1.852 20 30 CDEDLO C=CCCOCC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001319795491 958728405 /nfs/dbraw/zinc/72/84/05/958728405.db2.gz XSRUFXKLPXMKPR-AWEZNQCLSA-N 1 2 291.395 1.794 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)COC(C)C ZINC001322123133 960096788 /nfs/dbraw/zinc/09/67/88/960096788.db2.gz PVPFOSBETQCHFW-LLVKDONJSA-N 1 2 262.781 1.600 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)COC(C)C ZINC001322123133 960096795 /nfs/dbraw/zinc/09/67/95/960096795.db2.gz PVPFOSBETQCHFW-LLVKDONJSA-N 1 2 262.781 1.600 20 30 CDEDLO N#CC[C@@H](O)C[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC001335925768 960101620 /nfs/dbraw/zinc/10/16/20/960101620.db2.gz SZLGXQYDGHBSAB-CYBMUJFWSA-N 1 2 250.729 1.973 20 30 CDEDLO N#CC[C@@H](O)C[N@H+]1CCc2cc(Cl)ccc2C1 ZINC001335925768 960101627 /nfs/dbraw/zinc/10/16/27/960101627.db2.gz SZLGXQYDGHBSAB-CYBMUJFWSA-N 1 2 250.729 1.973 20 30 CDEDLO C=C(C)CCC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC001336107433 960206947 /nfs/dbraw/zinc/20/69/47/960206947.db2.gz SDYTXFGNULUGOM-CYBMUJFWSA-N 1 2 254.374 1.570 20 30 CDEDLO CCc1ccccc1C[NH+]1CC(NC(=O)[C@@H](C)C#N)C1 ZINC001418976492 961213969 /nfs/dbraw/zinc/21/39/69/961213969.db2.gz QLYWQFWMYABNPY-LBPRGKRZSA-N 1 2 271.364 1.709 20 30 CDEDLO Cc1ncc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)[nH]1 ZINC001437453676 962915270 /nfs/dbraw/zinc/91/52/70/962915270.db2.gz ULEYDQQKHVFEPM-UHFFFAOYSA-N 1 2 297.362 1.452 20 30 CDEDLO Cc1ncc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)[nH]1 ZINC001437453676 962915288 /nfs/dbraw/zinc/91/52/88/962915288.db2.gz ULEYDQQKHVFEPM-UHFFFAOYSA-N 1 2 297.362 1.452 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1nccn1CC ZINC001420574321 963081057 /nfs/dbraw/zinc/08/10/57/963081057.db2.gz MLFDMZYKQIMVDZ-NSHDSACASA-N 1 2 284.791 1.706 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1nccn1CC ZINC001420574321 963081064 /nfs/dbraw/zinc/08/10/64/963081064.db2.gz MLFDMZYKQIMVDZ-NSHDSACASA-N 1 2 284.791 1.706 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2ncc(C3CC3)o2)CC1 ZINC001420915486 963355197 /nfs/dbraw/zinc/35/51/97/963355197.db2.gz BELVWSRIMHDMLH-JTQLQIEISA-N 1 2 288.351 1.450 20 30 CDEDLO C=C[C@H](COC)[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC001342732860 963811874 /nfs/dbraw/zinc/81/18/74/963811874.db2.gz NBAWWBGDFPKNLN-CYBMUJFWSA-N 1 2 273.340 1.012 20 30 CDEDLO C#CCN(C)c1nnc([C@H]2CCC[N@@H+]2C)n1CC(C)C ZINC001343675878 964089989 /nfs/dbraw/zinc/08/99/89/964089989.db2.gz CVBZBDSIMFXEGN-CYBMUJFWSA-N 1 2 275.400 1.770 20 30 CDEDLO C#CCN(C)c1nnc([C@H]2CCC[N@H+]2C)n1CC(C)C ZINC001343675878 964089997 /nfs/dbraw/zinc/08/99/97/964089997.db2.gz CVBZBDSIMFXEGN-CYBMUJFWSA-N 1 2 275.400 1.770 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1nc(C)c[nH]1 ZINC001440977074 964305302 /nfs/dbraw/zinc/30/53/02/964305302.db2.gz NFRLQDXRUZHEDM-JTQLQIEISA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1nc(C)c[nH]1 ZINC001440977074 964305309 /nfs/dbraw/zinc/30/53/09/964305309.db2.gz NFRLQDXRUZHEDM-JTQLQIEISA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cccnc1OCC ZINC001442591415 965126280 /nfs/dbraw/zinc/12/62/80/965126280.db2.gz UFEXEZYPNOLNBO-UHFFFAOYSA-N 1 2 297.786 1.894 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cccnc1OCC ZINC001442591415 965126285 /nfs/dbraw/zinc/12/62/85/965126285.db2.gz UFEXEZYPNOLNBO-UHFFFAOYSA-N 1 2 297.786 1.894 20 30 CDEDLO C#C[C@H](NC(=O)CCc1[nH+]ccn1C)c1ccccc1 ZINC001347193454 965414383 /nfs/dbraw/zinc/41/43/83/965414383.db2.gz COXIBYHVOOWGDC-AWEZNQCLSA-N 1 2 267.332 1.843 20 30 CDEDLO C#CCOc1ccccc1CNC(=O)CCc1[nH+]ccn1C ZINC001347660805 965645942 /nfs/dbraw/zinc/64/59/42/965645942.db2.gz NMOBNMNLXZFNDL-UHFFFAOYSA-N 1 2 297.358 1.681 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1c[nH]nc1C ZINC001448074664 966987487 /nfs/dbraw/zinc/98/74/87/966987487.db2.gz RDNUTQWVPHGXRR-VIFPVBQESA-N 1 2 270.764 1.521 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1c[nH]nc1C ZINC001448074664 966987489 /nfs/dbraw/zinc/98/74/89/966987489.db2.gz RDNUTQWVPHGXRR-VIFPVBQESA-N 1 2 270.764 1.521 20 30 CDEDLO C[C@@H](C#N)C(=O)NCC1CC([NH2+]CC(F)(F)C(F)F)C1 ZINC001100198358 967621328 /nfs/dbraw/zinc/62/13/28/967621328.db2.gz XLUBWYKFQMRQMA-UEJVZZJDSA-N 1 2 295.280 1.531 20 30 CDEDLO C#CCOCCN(C)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001353531802 968049559 /nfs/dbraw/zinc/04/95/59/968049559.db2.gz RIWKYDMNXUVFLB-UHFFFAOYSA-N 1 2 299.330 1.300 20 30 CDEDLO N#CC1(C(=O)OCc2ccc[nH+]c2N)CCOCC1 ZINC001354174405 968520997 /nfs/dbraw/zinc/52/09/97/968520997.db2.gz NVJVDOWQCJQPQX-UHFFFAOYSA-N 1 2 261.281 1.027 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(C#N)ccc1F ZINC001464158343 969773718 /nfs/dbraw/zinc/77/37/18/969773718.db2.gz MNTIQCJEFHQVFK-SNVBAGLBSA-N 1 2 272.283 1.712 20 30 CDEDLO Cc1cccn2cc(CC(=O)Nc3n[nH]cc3C#N)[nH+]c12 ZINC001469286865 970239294 /nfs/dbraw/zinc/23/92/94/970239294.db2.gz SPCNDVKYWQFYIG-UHFFFAOYSA-N 1 2 280.291 1.419 20 30 CDEDLO Cc1[nH+]c[nH]c1CC(=O)NCc1ccc(OCC#N)cc1 ZINC001361730562 970469170 /nfs/dbraw/zinc/46/91/70/970469170.db2.gz DVGPOPSOEDSWNU-UHFFFAOYSA-N 1 2 284.319 1.479 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc(C(F)F)n[nH]1 ZINC001372108443 972794391 /nfs/dbraw/zinc/79/43/91/972794391.db2.gz VTYBEPFTGAQCTA-UHFFFAOYSA-N 1 2 292.717 1.761 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc(C(F)F)n[nH]1 ZINC001372108443 972794393 /nfs/dbraw/zinc/79/43/93/972794393.db2.gz VTYBEPFTGAQCTA-UHFFFAOYSA-N 1 2 292.717 1.761 20 30 CDEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1cc[nH]n1 ZINC001374469978 973966783 /nfs/dbraw/zinc/96/67/83/973966783.db2.gz YRKNUWSEPSPLIM-UHFFFAOYSA-N 1 2 297.362 1.485 20 30 CDEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1cc[nH]n1 ZINC001374469978 973966791 /nfs/dbraw/zinc/96/67/91/973966791.db2.gz YRKNUWSEPSPLIM-UHFFFAOYSA-N 1 2 297.362 1.485 20 30 CDEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1ccn[nH]1 ZINC001374469978 973966800 /nfs/dbraw/zinc/96/68/00/973966800.db2.gz YRKNUWSEPSPLIM-UHFFFAOYSA-N 1 2 297.362 1.485 20 30 CDEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1ccn[nH]1 ZINC001374469978 973966811 /nfs/dbraw/zinc/96/68/11/973966811.db2.gz YRKNUWSEPSPLIM-UHFFFAOYSA-N 1 2 297.362 1.485 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccc(C)nn1 ZINC001377308747 974971046 /nfs/dbraw/zinc/97/10/46/974971046.db2.gz PRUVDQBABYRKBC-UHFFFAOYSA-N 1 2 282.775 1.589 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccc(C)nn1 ZINC001377308747 974971053 /nfs/dbraw/zinc/97/10/53/974971053.db2.gz PRUVDQBABYRKBC-UHFFFAOYSA-N 1 2 282.775 1.589 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccc(OC)nn1 ZINC001377353779 974987128 /nfs/dbraw/zinc/98/71/28/974987128.db2.gz FMFBQVLWDRXSNS-UHFFFAOYSA-N 1 2 298.774 1.289 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccc(OC)nn1 ZINC001377353779 974987131 /nfs/dbraw/zinc/98/71/31/974987131.db2.gz FMFBQVLWDRXSNS-UHFFFAOYSA-N 1 2 298.774 1.289 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1cccn1 ZINC001505869380 975013682 /nfs/dbraw/zinc/01/36/82/975013682.db2.gz SQDDNULKZCCDHS-NSHDSACASA-N 1 2 270.764 1.072 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cn1cccn1 ZINC001505869380 975013688 /nfs/dbraw/zinc/01/36/88/975013688.db2.gz SQDDNULKZCCDHS-NSHDSACASA-N 1 2 270.764 1.072 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)C[C@@H](C)OC)C1CC1 ZINC001377517693 975060472 /nfs/dbraw/zinc/06/04/72/975060472.db2.gz JVPWKFMFFVBKEM-LLVKDONJSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)C[C@@H](C)OC)C1CC1 ZINC001377517693 975060476 /nfs/dbraw/zinc/06/04/76/975060476.db2.gz JVPWKFMFFVBKEM-LLVKDONJSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc(OC)no1)C1CC1 ZINC001377523090 975063557 /nfs/dbraw/zinc/06/35/57/975063557.db2.gz MSSHXPKEHICRQP-UHFFFAOYSA-N 1 2 299.758 1.630 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc(OC)no1)C1CC1 ZINC001377523090 975063564 /nfs/dbraw/zinc/06/35/64/975063564.db2.gz MSSHXPKEHICRQP-UHFFFAOYSA-N 1 2 299.758 1.630 20 30 CDEDLO CCc1nnc(C[N@H+](C)CCCN(C)C(=O)[C@H](C)C#N)o1 ZINC001380949918 976620429 /nfs/dbraw/zinc/62/04/29/976620429.db2.gz ROYNXCCWMYVJAA-LLVKDONJSA-N 1 2 293.371 1.072 20 30 CDEDLO CCc1nnc(C[N@@H+](C)CCCN(C)C(=O)[C@H](C)C#N)o1 ZINC001380949918 976620435 /nfs/dbraw/zinc/62/04/35/976620435.db2.gz ROYNXCCWMYVJAA-LLVKDONJSA-N 1 2 293.371 1.072 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc(C)no1)C1CC1 ZINC001399989124 976795366 /nfs/dbraw/zinc/79/53/66/976795366.db2.gz LXMYFMMQNQDIFH-UHFFFAOYSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc(C)no1)C1CC1 ZINC001399989124 976795372 /nfs/dbraw/zinc/79/53/72/976795372.db2.gz LXMYFMMQNQDIFH-UHFFFAOYSA-N 1 2 283.759 1.930 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)COCC2CC2)C1 ZINC001400703817 977146349 /nfs/dbraw/zinc/14/63/49/977146349.db2.gz PEQDFIRKWBKNFE-ZDUSSCGKSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)COCC2CC2)C1 ZINC001400703817 977146355 /nfs/dbraw/zinc/14/63/55/977146355.db2.gz PEQDFIRKWBKNFE-ZDUSSCGKSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nc(C(C)C)no1 ZINC001132569847 1163378076 /nfs/dbraw/zinc/37/80/76/1163378076.db2.gz ZRIPWBZPKHZPLV-VXGBXAGGSA-N 1 2 294.399 1.857 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001132663240 1163430401 /nfs/dbraw/zinc/43/04/01/1163430401.db2.gz SKXZUSYDILEGBJ-GHMZBOCLSA-N 1 2 280.372 1.747 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001133154796 1163586109 /nfs/dbraw/zinc/58/61/09/1163586109.db2.gz SYTYYYQRXSGOIZ-UHFFFAOYSA-N 1 2 278.356 1.509 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([NH2+]Cc2c[nH]nn2)[C@H](CC)C1 ZINC001575085055 1171107219 /nfs/dbraw/zinc/10/72/19/1171107219.db2.gz DOSXOQBUZSIIIE-OCCSQVGLSA-N 1 2 291.399 1.488 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([NH2+]Cc2cn[nH]n2)[C@H](CC)C1 ZINC001575085055 1171107220 /nfs/dbraw/zinc/10/72/20/1171107220.db2.gz DOSXOQBUZSIIIE-OCCSQVGLSA-N 1 2 291.399 1.488 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCN1CCC[C@](C)(C#N)C1 ZINC001653855799 1171568679 /nfs/dbraw/zinc/56/86/79/1171568679.db2.gz KJLALADFIZJRNZ-UONOGXRCSA-N 1 2 251.374 1.333 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCN1CCC[C@](C)(C#N)C1 ZINC001653855799 1171568687 /nfs/dbraw/zinc/56/86/87/1171568687.db2.gz KJLALADFIZJRNZ-UONOGXRCSA-N 1 2 251.374 1.333 20 30 CDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC2(CCOCC2)CC1 ZINC000585755854 342454861 /nfs/dbraw/zinc/45/48/61/342454861.db2.gz JKGYZLJLDBGVDV-LBPRGKRZSA-N 1 2 253.342 1.607 20 30 CDEDLO C=CCN(CCC#N)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000590408737 342544375 /nfs/dbraw/zinc/54/43/75/342544375.db2.gz LIKSBZXNEMNPMX-GFCCVEGCSA-N 1 2 258.325 1.374 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000611537613 346815705 /nfs/dbraw/zinc/81/57/05/346815705.db2.gz CIZJZTTVZIZFPL-DOMZBBRYSA-N 1 2 282.347 1.945 20 30 CDEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC(C#N)C1 ZINC000590492394 342566289 /nfs/dbraw/zinc/56/62/89/342566289.db2.gz WFPOJNUESHXUOL-UHFFFAOYSA-N 1 2 290.273 1.605 20 30 CDEDLO CC(C)(C)C[N@@H+](CCC#N)CCCS(C)(=O)=O ZINC000109812125 342575318 /nfs/dbraw/zinc/57/53/18/342575318.db2.gz OTMPUXRZNGIQBT-UHFFFAOYSA-N 1 2 260.403 1.683 20 30 CDEDLO CC(C)(C)C[N@H+](CCC#N)CCCS(C)(=O)=O ZINC000109812125 342575319 /nfs/dbraw/zinc/57/53/19/342575319.db2.gz OTMPUXRZNGIQBT-UHFFFAOYSA-N 1 2 260.403 1.683 20 30 CDEDLO C[C@@H](NC(=O)c1ccc(F)c(C#N)c1)c1[nH]cc[nH+]1 ZINC000590565149 342575990 /nfs/dbraw/zinc/57/59/90/342575990.db2.gz SKQPHOGUGPDPIY-MRVPVSSYSA-N 1 2 258.256 1.911 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000351600338 361791693 /nfs/dbraw/zinc/79/16/93/361791693.db2.gz DHZLQGVYSZTBMJ-CYBMUJFWSA-N 1 2 268.401 1.816 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000351600338 361791695 /nfs/dbraw/zinc/79/16/95/361791695.db2.gz DHZLQGVYSZTBMJ-CYBMUJFWSA-N 1 2 268.401 1.816 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N(C)Cc1c[nH+]c[nH]1)OCC ZINC000616926700 342574023 /nfs/dbraw/zinc/57/40/23/342574023.db2.gz MOAYUUYPHQYBMD-GFCCVEGCSA-N 1 2 251.330 1.739 20 30 CDEDLO C=C(C)[C@@H](CC(=O)N(C)Cc1c[nH]c[nH+]1)OCC ZINC000616926700 342574024 /nfs/dbraw/zinc/57/40/24/342574024.db2.gz MOAYUUYPHQYBMD-GFCCVEGCSA-N 1 2 251.330 1.739 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000590740829 342586505 /nfs/dbraw/zinc/58/65/05/342586505.db2.gz VXYZMDFNEJGKCB-UONOGXRCSA-N 1 2 260.337 1.989 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000590740829 342586506 /nfs/dbraw/zinc/58/65/06/342586506.db2.gz VXYZMDFNEJGKCB-UONOGXRCSA-N 1 2 260.337 1.989 20 30 CDEDLO CC[C@H]([NH2+]CCC#N)c1ccccc1OCC(=O)NC ZINC000591024264 342614407 /nfs/dbraw/zinc/61/44/07/342614407.db2.gz NTSIUDJGQUNYDL-ZDUSSCGKSA-N 1 2 275.352 1.766 20 30 CDEDLO CCCCc1noc([C@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)n1 ZINC000592146109 342673199 /nfs/dbraw/zinc/67/31/99/342673199.db2.gz DDCMXBBJCWSUHQ-SMDDNHRTSA-N 1 2 278.356 1.824 20 30 CDEDLO CCCCc1noc([C@H](C)[N@H+]2CC[C@](O)(CC#N)C2)n1 ZINC000592146109 342673200 /nfs/dbraw/zinc/67/32/00/342673200.db2.gz DDCMXBBJCWSUHQ-SMDDNHRTSA-N 1 2 278.356 1.824 20 30 CDEDLO CC(C)CNC(=O)CO[NH+]=C(N)Cc1ccccc1Cl ZINC000058497921 342153103 /nfs/dbraw/zinc/15/31/03/342153103.db2.gz RCARSVREGBWIHH-UHFFFAOYSA-N 1 2 297.786 1.944 20 30 CDEDLO CN(CC1CCCCC1)C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151455 342669041 /nfs/dbraw/zinc/66/90/41/342669041.db2.gz PCEFWEAMHOEPOC-INIZCTEOSA-N 1 2 293.411 1.376 20 30 CDEDLO CN(CC1CCCCC1)C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151455 342669042 /nfs/dbraw/zinc/66/90/42/342669042.db2.gz PCEFWEAMHOEPOC-INIZCTEOSA-N 1 2 293.411 1.376 20 30 CDEDLO N#CC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCCCC1 ZINC000592947176 342749024 /nfs/dbraw/zinc/74/90/24/342749024.db2.gz VZAWFANSMXCGKC-LBPRGKRZSA-N 1 2 272.352 1.788 20 30 CDEDLO Cc1cccc2[nH+]c(CCNC(=O)C3(C#N)CCC3)cn21 ZINC000592745489 342720955 /nfs/dbraw/zinc/72/09/55/342720955.db2.gz FYZQSAMRJCUMFX-UHFFFAOYSA-N 1 2 282.347 1.995 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000592997418 342752455 /nfs/dbraw/zinc/75/24/55/342752455.db2.gz ABPXXZNPAOFVPN-GFCCVEGCSA-N 1 2 281.319 1.228 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H](C)CO1 ZINC000593065203 342761886 /nfs/dbraw/zinc/76/18/86/342761886.db2.gz ZGTARGVAAXSTAL-UMVBOHGHSA-N 1 2 281.400 1.540 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H](C)CO1 ZINC000593065203 342761887 /nfs/dbraw/zinc/76/18/87/342761887.db2.gz ZGTARGVAAXSTAL-UMVBOHGHSA-N 1 2 281.400 1.540 20 30 CDEDLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000593066626 342762056 /nfs/dbraw/zinc/76/20/56/342762056.db2.gz PIXNRVGKWGBOCX-ZIAGYGMSSA-N 1 2 280.755 1.793 20 30 CDEDLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000593066626 342762058 /nfs/dbraw/zinc/76/20/58/342762058.db2.gz PIXNRVGKWGBOCX-ZIAGYGMSSA-N 1 2 280.755 1.793 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCOCc1ccccc1 ZINC000593155256 342774521 /nfs/dbraw/zinc/77/45/21/342774521.db2.gz GHDIOYCPKXJYMX-INIZCTEOSA-N 1 2 289.379 1.553 20 30 CDEDLO C#CCSCCNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000159945740 361920698 /nfs/dbraw/zinc/92/06/98/361920698.db2.gz SMRLHCRSWFLCEV-UHFFFAOYSA-N 1 2 279.413 1.839 20 30 CDEDLO C#CCSCCNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000159945740 361920704 /nfs/dbraw/zinc/92/07/04/361920704.db2.gz SMRLHCRSWFLCEV-UHFFFAOYSA-N 1 2 279.413 1.839 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NC1CCC(C)CC1 ZINC000594011659 342862223 /nfs/dbraw/zinc/86/22/23/342862223.db2.gz KBJLZMYFZJKDAQ-CPCZMJQVSA-N 1 2 251.374 1.963 20 30 CDEDLO CN(CCC#N)C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000594258308 342885712 /nfs/dbraw/zinc/88/57/12/342885712.db2.gz NHGAZSUOWHYMFJ-VIFPVBQESA-N 1 2 288.273 1.828 20 30 CDEDLO N#Cc1ccncc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000588927244 342224945 /nfs/dbraw/zinc/22/49/45/342224945.db2.gz XWXKDNPDIAQGRB-UHFFFAOYSA-N 1 2 263.260 1.853 20 30 CDEDLO COC(=O)[C@@H]([NH2+]CCc1ccc(C#N)cc1)C(C)C ZINC000595433061 343059551 /nfs/dbraw/zinc/05/95/51/343059551.db2.gz UVAOLYYDVGZEAI-AWEZNQCLSA-N 1 2 260.337 1.888 20 30 CDEDLO COc1cc(C[N@@H+]2CC[C@](O)(CC#N)C2)sn1 ZINC000595562778 343099020 /nfs/dbraw/zinc/09/90/20/343099020.db2.gz LWTYUFDJFTWMBJ-LLVKDONJSA-N 1 2 253.327 1.002 20 30 CDEDLO COc1cc(C[N@H+]2CC[C@](O)(CC#N)C2)sn1 ZINC000595562778 343099022 /nfs/dbraw/zinc/09/90/22/343099022.db2.gz LWTYUFDJFTWMBJ-LLVKDONJSA-N 1 2 253.327 1.002 20 30 CDEDLO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595617134 343110674 /nfs/dbraw/zinc/11/06/74/343110674.db2.gz VCIFWOPQYNWUDL-NEPJUHHUSA-N 1 2 273.340 1.429 20 30 CDEDLO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595617134 343110676 /nfs/dbraw/zinc/11/06/76/343110676.db2.gz VCIFWOPQYNWUDL-NEPJUHHUSA-N 1 2 273.340 1.429 20 30 CDEDLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595609493 343108410 /nfs/dbraw/zinc/10/84/10/343108410.db2.gz KYKGCFIGQBDMJP-GFCCVEGCSA-N 1 2 275.356 1.591 20 30 CDEDLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595609493 343108412 /nfs/dbraw/zinc/10/84/12/343108412.db2.gz KYKGCFIGQBDMJP-GFCCVEGCSA-N 1 2 275.356 1.591 20 30 CDEDLO C=CCCSCCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000595590008 343095056 /nfs/dbraw/zinc/09/50/56/343095056.db2.gz PQKGALKYUANJGS-GFCCVEGCSA-N 1 2 294.424 1.806 20 30 CDEDLO C=CCNC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645097141 362108231 /nfs/dbraw/zinc/10/82/31/362108231.db2.gz RKUFDMAAMMZNGS-UHFFFAOYSA-N 1 2 258.325 1.670 20 30 CDEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H](OC)C2)c1C#N ZINC000535047265 282230799 /nfs/dbraw/zinc/23/07/99/282230799.db2.gz IGLKBKWKOJXOHU-CYBMUJFWSA-N 1 2 288.347 1.956 20 30 CDEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](OC)C2)c1C#N ZINC000535047265 282230800 /nfs/dbraw/zinc/23/08/00/282230800.db2.gz IGLKBKWKOJXOHU-CYBMUJFWSA-N 1 2 288.347 1.956 20 30 CDEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000081039616 342363291 /nfs/dbraw/zinc/36/32/91/342363291.db2.gz VHILIFQWVQSZGN-ZDUSSCGKSA-N 1 2 251.374 1.869 20 30 CDEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000081039616 342363292 /nfs/dbraw/zinc/36/32/92/342363292.db2.gz VHILIFQWVQSZGN-ZDUSSCGKSA-N 1 2 251.374 1.869 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)Nc1nc(C#N)c(Cl)s1 ZINC000596079588 343227798 /nfs/dbraw/zinc/22/77/98/343227798.db2.gz TWYLDXSDOHDVAV-SSDOTTSWSA-N 1 2 267.745 1.787 20 30 CDEDLO COc1cc(C)[nH+]c(Cn2c(=O)ccc(C#N)c2OC)c1 ZINC000596283039 343287835 /nfs/dbraw/zinc/28/78/35/343287835.db2.gz TUJVDAWNLAAGSR-UHFFFAOYSA-N 1 2 285.303 1.489 20 30 CDEDLO C#CC[NH+]1CCN(c2ncnc3ccc(F)cc32)CC1 ZINC000089593026 342392444 /nfs/dbraw/zinc/39/24/44/342392444.db2.gz YPXDSUPPAOVUSK-UHFFFAOYSA-N 1 2 270.311 1.524 20 30 CDEDLO Cc1ccc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)cc1C#N ZINC000599378454 344030883 /nfs/dbraw/zinc/03/08/83/344030883.db2.gz NEXRFBIBZFDUTL-GFCCVEGCSA-N 1 2 257.337 1.529 20 30 CDEDLO Cc1ccc(C[N@H+]2CCN(C)C(=O)[C@H]2C)cc1C#N ZINC000599378454 344030885 /nfs/dbraw/zinc/03/08/85/344030885.db2.gz NEXRFBIBZFDUTL-GFCCVEGCSA-N 1 2 257.337 1.529 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](Cc2cn(Cc3cccnc3)nn2)C1 ZINC000597177484 343468554 /nfs/dbraw/zinc/46/85/54/343468554.db2.gz MWTNYDMATUFPSU-CQSZACIVSA-N 1 2 296.378 1.847 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](Cc2cn(Cc3cccnc3)nn2)C1 ZINC000597177484 343468557 /nfs/dbraw/zinc/46/85/57/343468557.db2.gz MWTNYDMATUFPSU-CQSZACIVSA-N 1 2 296.378 1.847 20 30 CDEDLO Cc1cnc(C[NH+]2CCN(c3ccccc3C#N)CC2)cn1 ZINC000332335187 136408399 /nfs/dbraw/zinc/40/83/99/136408399.db2.gz CQPYJYCPMYVIGV-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO C#CCO[C@H](C)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000295049665 199319367 /nfs/dbraw/zinc/31/93/67/199319367.db2.gz GNJGISRPJQAAAX-BFHYXJOUSA-N 1 2 275.352 1.331 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)C2(C#N)CCCC2)[C@@H](C)CO1 ZINC000598000494 343685835 /nfs/dbraw/zinc/68/58/35/343685835.db2.gz VFQJGWSRDIPLAW-QWHCGFSZSA-N 1 2 279.384 1.296 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)C2(C#N)CCCC2)[C@@H](C)CO1 ZINC000598000494 343685838 /nfs/dbraw/zinc/68/58/38/343685838.db2.gz VFQJGWSRDIPLAW-QWHCGFSZSA-N 1 2 279.384 1.296 20 30 CDEDLO C=C[C@H]([NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)C(=O)OC ZINC000619703372 349860144 /nfs/dbraw/zinc/86/01/44/349860144.db2.gz KJPZRUNMIMZEDN-XGUBFFRZSA-N 1 2 257.333 1.890 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000598592569 343838848 /nfs/dbraw/zinc/83/88/48/343838848.db2.gz MIZRVUVVVLGCRQ-UWVGGRQHSA-N 1 2 280.290 1.550 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000598592569 343838851 /nfs/dbraw/zinc/83/88/51/343838851.db2.gz MIZRVUVVVLGCRQ-UWVGGRQHSA-N 1 2 280.290 1.550 20 30 CDEDLO Cc1ccnc(NCC[N@H+]2CCOC[C@@H]2C)c1C#N ZINC000612079451 347006116 /nfs/dbraw/zinc/00/61/16/347006116.db2.gz JXAJDFGJGVHCAN-LBPRGKRZSA-N 1 2 260.341 1.394 20 30 CDEDLO Cc1ccnc(NCC[N@@H+]2CCOC[C@@H]2C)c1C#N ZINC000612079451 347006123 /nfs/dbraw/zinc/00/61/23/347006123.db2.gz JXAJDFGJGVHCAN-LBPRGKRZSA-N 1 2 260.341 1.394 20 30 CDEDLO N#Cc1cccc(CC(=O)N[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000598950009 343933514 /nfs/dbraw/zinc/93/35/14/343933514.db2.gz ZKSFMYFISZOSGN-CQSZACIVSA-N 1 2 280.331 1.428 20 30 CDEDLO COC(=O)[C@H]([NH+]1CCC(C)(C#N)CC1)C1(OC)CCC1 ZINC000332026101 362352257 /nfs/dbraw/zinc/35/22/57/362352257.db2.gz XFZUSQJCXXNARK-LBPRGKRZSA-N 1 2 280.368 1.723 20 30 CDEDLO N#CC[N@H+](CCOC[C@H]1CCCO1)C1CCCC1 ZINC000152584196 347038088 /nfs/dbraw/zinc/03/80/88/347038088.db2.gz XQEANOBDCKTFGD-CQSZACIVSA-N 1 2 252.358 1.950 20 30 CDEDLO N#CC[N@@H+](CCOC[C@H]1CCCO1)C1CCCC1 ZINC000152584196 347038090 /nfs/dbraw/zinc/03/80/90/347038090.db2.gz XQEANOBDCKTFGD-CQSZACIVSA-N 1 2 252.358 1.950 20 30 CDEDLO COCC[N@H+](CCC#N)C[C@H](OC)C1CCOCC1 ZINC000602465247 344425942 /nfs/dbraw/zinc/42/59/42/344425942.db2.gz MGECRFBIRGYYLC-AWEZNQCLSA-N 1 2 270.373 1.290 20 30 CDEDLO COCC[N@@H+](CCC#N)C[C@H](OC)C1CCOCC1 ZINC000602465247 344425943 /nfs/dbraw/zinc/42/59/43/344425943.db2.gz MGECRFBIRGYYLC-AWEZNQCLSA-N 1 2 270.373 1.290 20 30 CDEDLO C=CCOC[C@@H](N[C@H](c1[nH+]ccn1C)C1CC1)C(=O)OC ZINC000602641832 344512386 /nfs/dbraw/zinc/51/23/86/344512386.db2.gz FOCDVLGTJIHSOU-OLZOCXBDSA-N 1 2 293.367 1.205 20 30 CDEDLO COCC[N@H+](CC(=O)OC(C)(C)C)CC1(CC#N)CC1 ZINC000602771887 344575912 /nfs/dbraw/zinc/57/59/12/344575912.db2.gz IHBKGIALOJUJAO-UHFFFAOYSA-N 1 2 282.384 1.970 20 30 CDEDLO COCC[N@@H+](CC(=O)OC(C)(C)C)CC1(CC#N)CC1 ZINC000602771887 344575914 /nfs/dbraw/zinc/57/59/14/344575914.db2.gz IHBKGIALOJUJAO-UHFFFAOYSA-N 1 2 282.384 1.970 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000602862162 344617384 /nfs/dbraw/zinc/61/73/84/344617384.db2.gz LNHMFUBQKXNRBB-NSHDSACASA-N 1 2 277.349 1.224 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)NC1CCC(C)CC1 ZINC000602863327 344624967 /nfs/dbraw/zinc/62/49/67/344624967.db2.gz OMRFPJFFRRHVHA-QZQSVVMZSA-N 1 2 251.374 1.962 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(F)cc1F ZINC000602864733 344638432 /nfs/dbraw/zinc/63/84/32/344638432.db2.gz VGWDXEANPPXLRU-MRVPVSSYSA-N 1 2 253.252 1.795 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612165895 347067455 /nfs/dbraw/zinc/06/74/55/347067455.db2.gz RFPMLZPFHJTNDA-BXUZGUMPSA-N 1 2 278.356 1.012 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612165895 347067457 /nfs/dbraw/zinc/06/74/57/347067457.db2.gz RFPMLZPFHJTNDA-BXUZGUMPSA-N 1 2 278.356 1.012 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000030195899 345029494 /nfs/dbraw/zinc/02/94/94/345029494.db2.gz ITLMIGCEHTVCAL-DOMZBBRYSA-N 1 2 281.400 1.540 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000030195899 345029495 /nfs/dbraw/zinc/02/94/95/345029495.db2.gz ITLMIGCEHTVCAL-DOMZBBRYSA-N 1 2 281.400 1.540 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H]1CCCC[C@H]1C)C(=O)OC ZINC000361115164 266787856 /nfs/dbraw/zinc/78/78/56/266787856.db2.gz WLBDAMXPQIJZAG-UPJWGTAASA-N 1 2 255.358 1.899 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000008472525 345641455 /nfs/dbraw/zinc/64/14/55/345641455.db2.gz QFYZZWZHXMSQMJ-CYBMUJFWSA-N 1 2 289.379 1.556 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000008472525 345641456 /nfs/dbraw/zinc/64/14/56/345641456.db2.gz QFYZZWZHXMSQMJ-CYBMUJFWSA-N 1 2 289.379 1.556 20 30 CDEDLO N#CCN1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000609564282 345810794 /nfs/dbraw/zinc/81/07/94/345810794.db2.gz FTXBGOVRRYOONQ-CQSZACIVSA-N 1 2 279.771 1.515 20 30 CDEDLO C[C@@H]1C[N@H+](CCNc2ccc(F)cc2C#N)CCO1 ZINC000610277525 346240965 /nfs/dbraw/zinc/24/09/65/346240965.db2.gz BJRXBWGFNJZFOK-LLVKDONJSA-N 1 2 263.316 1.830 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNc2ccc(F)cc2C#N)CCO1 ZINC000610277525 346240968 /nfs/dbraw/zinc/24/09/68/346240968.db2.gz BJRXBWGFNJZFOK-LLVKDONJSA-N 1 2 263.316 1.830 20 30 CDEDLO Cc1cccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1F ZINC000584785007 346433329 /nfs/dbraw/zinc/43/33/29/346433329.db2.gz ZEPUXTMVGMTRNC-CQSZACIVSA-N 1 2 263.316 1.708 20 30 CDEDLO CO[C@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000267841283 362734563 /nfs/dbraw/zinc/73/45/63/362734563.db2.gz UPQJAGUMMFZJEM-JTQLQIEISA-N 1 2 265.338 1.279 20 30 CDEDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000267841283 362734566 /nfs/dbraw/zinc/73/45/66/362734566.db2.gz UPQJAGUMMFZJEM-JTQLQIEISA-N 1 2 265.338 1.279 20 30 CDEDLO Cn1cc[nH+]c1CN1CCN(c2cnccc2C#N)CC1 ZINC000611101419 346607207 /nfs/dbraw/zinc/60/72/07/346607207.db2.gz JDYAXRCYJHUFNN-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054345499 346618577 /nfs/dbraw/zinc/61/85/77/346618577.db2.gz CKVZHVDRJNUETF-UONOGXRCSA-N 1 2 266.385 1.664 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054345499 346618581 /nfs/dbraw/zinc/61/85/81/346618581.db2.gz CKVZHVDRJNUETF-UONOGXRCSA-N 1 2 266.385 1.664 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(C#N)CC1 ZINC000057907884 347120190 /nfs/dbraw/zinc/12/01/90/347120190.db2.gz ZOXRGQNJGUZDGB-SWLSCSKDSA-N 1 2 276.384 1.665 20 30 CDEDLO C=C[C@H](CO)Nc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000450531574 362830178 /nfs/dbraw/zinc/83/01/78/362830178.db2.gz JHVRYMJMPNOMPY-SNVBAGLBSA-N 1 2 258.325 1.077 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635989355 362843758 /nfs/dbraw/zinc/84/37/58/362843758.db2.gz PQZCGDVJZAMGFZ-HIFRSBDPSA-N 1 2 299.330 1.651 20 30 CDEDLO C=C[C@@H]([NH2+]CC1(SC)CCOCC1)C(=O)OC ZINC000619702017 347885251 /nfs/dbraw/zinc/88/52/51/347885251.db2.gz CPAGDMSSDVCYLQ-SNVBAGLBSA-N 1 2 259.371 1.216 20 30 CDEDLO N#Cc1c[nH][nH]c1=NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000601640132 349983303 /nfs/dbraw/zinc/98/33/03/349983303.db2.gz WGZGHEHTUBQJLA-ZDUSSCGKSA-N 1 2 287.367 1.439 20 30 CDEDLO N#Cc1c[nH][nH]c1=NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000601640132 349983306 /nfs/dbraw/zinc/98/33/06/349983306.db2.gz WGZGHEHTUBQJLA-ZDUSSCGKSA-N 1 2 287.367 1.439 20 30 CDEDLO N#Cc1c[nH][nH]c1=NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000601640131 349983696 /nfs/dbraw/zinc/98/36/96/349983696.db2.gz WGZGHEHTUBQJLA-CYBMUJFWSA-N 1 2 287.367 1.439 20 30 CDEDLO Cc1cc(OC[C@@H](O)C[N@H+](C)CCC#N)ccc1C#N ZINC000414125510 362921530 /nfs/dbraw/zinc/92/15/30/362921530.db2.gz MVJWDOUJPABFCP-AWEZNQCLSA-N 1 2 273.336 1.452 20 30 CDEDLO Cc1cc(OC[C@@H](O)C[N@@H+](C)CCC#N)ccc1C#N ZINC000414125510 362921535 /nfs/dbraw/zinc/92/15/35/362921535.db2.gz MVJWDOUJPABFCP-AWEZNQCLSA-N 1 2 273.336 1.452 20 30 CDEDLO C#CC[N@@H+](CC)Cc1cn(Cc2cccnc2)nn1 ZINC000273357029 192124228 /nfs/dbraw/zinc/12/42/28/192124228.db2.gz CWJNDVPCTVLBLS-UHFFFAOYSA-N 1 2 255.325 1.177 20 30 CDEDLO C#CC[N@H+](CC)Cc1cn(Cc2cccnc2)nn1 ZINC000273357029 192124229 /nfs/dbraw/zinc/12/42/29/192124229.db2.gz CWJNDVPCTVLBLS-UHFFFAOYSA-N 1 2 255.325 1.177 20 30 CDEDLO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCC#N)cc1 ZINC000564872631 348445744 /nfs/dbraw/zinc/44/57/44/348445744.db2.gz GNKYWQJXWBEMNQ-LBPRGKRZSA-N 1 2 266.366 1.661 20 30 CDEDLO Cc1cc(NC(=O)N2CC[C@](F)(C#N)C2)c(C)c[nH+]1 ZINC000615539929 348580290 /nfs/dbraw/zinc/58/02/90/348580290.db2.gz AZVNQGJMDDJXJT-ZDUSSCGKSA-N 1 2 262.288 1.590 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000066470452 348986470 /nfs/dbraw/zinc/98/64/70/348986470.db2.gz SXJKEZKRIKCSDZ-NSHDSACASA-N 1 2 271.320 1.374 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000066470452 348986473 /nfs/dbraw/zinc/98/64/73/348986473.db2.gz SXJKEZKRIKCSDZ-NSHDSACASA-N 1 2 271.320 1.374 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N(C)[C@H](C)c1ccccc1OC ZINC000072906473 349139453 /nfs/dbraw/zinc/13/94/53/349139453.db2.gz LNFXZWSJILBPJO-OAHLLOKOSA-N 1 2 298.386 1.783 20 30 CDEDLO CCC(=O)N1CCC[N@H+](Cc2cccc(C#N)n2)CC1 ZINC000602449853 350110322 /nfs/dbraw/zinc/11/03/22/350110322.db2.gz RZFJQBOFGUUTDR-UHFFFAOYSA-N 1 2 272.352 1.398 20 30 CDEDLO CCC(=O)N1CCC[N@@H+](Cc2cccc(C#N)n2)CC1 ZINC000602449853 350110325 /nfs/dbraw/zinc/11/03/25/350110325.db2.gz RZFJQBOFGUUTDR-UHFFFAOYSA-N 1 2 272.352 1.398 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)n1 ZINC000602674666 350140288 /nfs/dbraw/zinc/14/02/88/350140288.db2.gz HCXOLNDDUOJZRD-JTQLQIEISA-N 1 2 267.279 1.403 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)n1 ZINC000602674666 350140291 /nfs/dbraw/zinc/14/02/91/350140291.db2.gz HCXOLNDDUOJZRD-JTQLQIEISA-N 1 2 267.279 1.403 20 30 CDEDLO Cc1n[nH]cc1C[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000602943777 350168867 /nfs/dbraw/zinc/16/88/67/350168867.db2.gz QBWKPKQJCCCOBM-UHFFFAOYSA-N 1 2 283.335 1.660 20 30 CDEDLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000602943777 350168871 /nfs/dbraw/zinc/16/88/71/350168871.db2.gz QBWKPKQJCCCOBM-UHFFFAOYSA-N 1 2 283.335 1.660 20 30 CDEDLO C[C@@H]1C[C@@H](NC(=O)Nc2ccnc(C#N)c2)c2[nH+]ccn21 ZINC000603120507 350205550 /nfs/dbraw/zinc/20/55/50/350205550.db2.gz AXFWUFVMOUXPDF-BXKDBHETSA-N 1 2 282.307 1.977 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccnc(C#N)c2)C1 ZINC000603136183 350214761 /nfs/dbraw/zinc/21/47/61/350214761.db2.gz TZKGGYQSVSNFBT-NSHDSACASA-N 1 2 296.334 1.708 20 30 CDEDLO C[N@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCCCNC1=O ZINC000364116089 362951830 /nfs/dbraw/zinc/95/18/30/362951830.db2.gz WBUVOKSKBQHCNR-CQSZACIVSA-N 1 2 275.327 1.798 20 30 CDEDLO C[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCCCNC1=O ZINC000364116089 362951834 /nfs/dbraw/zinc/95/18/34/362951834.db2.gz WBUVOKSKBQHCNR-CQSZACIVSA-N 1 2 275.327 1.798 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC000091769510 180249734 /nfs/dbraw/zinc/24/97/34/180249734.db2.gz RUIHSSZHIMUNDH-UHFFFAOYSA-N 1 2 285.388 1.087 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC000091769510 180249736 /nfs/dbraw/zinc/24/97/36/180249736.db2.gz RUIHSSZHIMUNDH-UHFFFAOYSA-N 1 2 285.388 1.087 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000111273664 186385812 /nfs/dbraw/zinc/38/58/12/186385812.db2.gz XCDKGKGHAAGVPX-SWLSCSKDSA-N 1 2 287.363 1.996 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000111273664 186385814 /nfs/dbraw/zinc/38/58/14/186385814.db2.gz XCDKGKGHAAGVPX-SWLSCSKDSA-N 1 2 287.363 1.996 20 30 CDEDLO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000292257271 198221391 /nfs/dbraw/zinc/22/13/91/198221391.db2.gz PGIVPIZOPAXWDU-LBPRGKRZSA-N 1 2 278.377 1.425 20 30 CDEDLO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000292257271 198221393 /nfs/dbraw/zinc/22/13/93/198221393.db2.gz PGIVPIZOPAXWDU-LBPRGKRZSA-N 1 2 278.377 1.425 20 30 CDEDLO C=C[C@@H](CO)NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000292383211 198267274 /nfs/dbraw/zinc/26/72/74/198267274.db2.gz KYXHIGBGUHPRGE-ZDUSSCGKSA-N 1 2 290.367 1.028 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)NCC#Cc1ccccc1 ZINC000271675472 191272754 /nfs/dbraw/zinc/27/27/54/191272754.db2.gz HGYLFQFGDUPSNZ-UHFFFAOYSA-N 1 2 282.347 1.613 20 30 CDEDLO CC(C)C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC000157419186 188316201 /nfs/dbraw/zinc/31/62/01/188316201.db2.gz UGJACUPBQLLWLA-UHFFFAOYSA-N 1 2 277.343 1.901 20 30 CDEDLO CC(C)C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000157419186 188316202 /nfs/dbraw/zinc/31/62/02/188316202.db2.gz UGJACUPBQLLWLA-UHFFFAOYSA-N 1 2 277.343 1.901 20 30 CDEDLO Cc1ccc2[nH+]c(CNC(=O)[C@@]3(C#N)C[C@H]3C)cn2c1 ZINC000336244485 363224318 /nfs/dbraw/zinc/22/43/18/363224318.db2.gz HNOAYECVSTZTJD-IAQYHMDHSA-N 1 2 268.320 1.809 20 30 CDEDLO C=CCCCS(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000292729807 198391726 /nfs/dbraw/zinc/39/17/26/198391726.db2.gz UZKJULHZQNRFEB-GFCCVEGCSA-N 1 2 283.397 1.885 20 30 CDEDLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)NCC#N)n1 ZINC000159725625 363232393 /nfs/dbraw/zinc/23/23/93/363232393.db2.gz JJMIUKHTYMYSFQ-CYBMUJFWSA-N 1 2 258.325 1.167 20 30 CDEDLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)NCC#N)n1 ZINC000159725625 363232397 /nfs/dbraw/zinc/23/23/97/363232397.db2.gz JJMIUKHTYMYSFQ-CYBMUJFWSA-N 1 2 258.325 1.167 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(C3CC3)o2)C1=O ZINC000628259194 363278161 /nfs/dbraw/zinc/27/81/61/363278161.db2.gz LBYRZSOTQHIQNE-CYBMUJFWSA-N 1 2 275.352 1.771 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(C3CC3)o2)C1=O ZINC000628259194 363278169 /nfs/dbraw/zinc/27/81/69/363278169.db2.gz LBYRZSOTQHIQNE-CYBMUJFWSA-N 1 2 275.352 1.771 20 30 CDEDLO COc1ccc(Cl)cc1C[NH+]1CCN(CC#N)CC1 ZINC000070140933 538309094 /nfs/dbraw/zinc/30/90/94/538309094.db2.gz NYSUQBKGQCDXKQ-UHFFFAOYSA-N 1 2 279.771 1.990 20 30 CDEDLO C=C(Cl)CN1CC[NH+](CCNC(=O)C2CCC2)CC1 ZINC000071915931 356113900 /nfs/dbraw/zinc/11/39/00/356113900.db2.gz NLULGZWWFQJHSV-UHFFFAOYSA-N 1 2 285.819 1.273 20 30 CDEDLO C=C(Cl)C[NH+]1CCN(CCNC(=O)C2CCC2)CC1 ZINC000071915931 356113904 /nfs/dbraw/zinc/11/39/04/356113904.db2.gz NLULGZWWFQJHSV-UHFFFAOYSA-N 1 2 285.819 1.273 20 30 CDEDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccc(C#N)s1 ZINC000336555420 356207597 /nfs/dbraw/zinc/20/75/97/356207597.db2.gz UWXDIYHJDGVFJF-NXEZZACHSA-N 1 2 263.366 1.784 20 30 CDEDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccc(C#N)s1 ZINC000336555420 356207599 /nfs/dbraw/zinc/20/75/99/356207599.db2.gz UWXDIYHJDGVFJF-NXEZZACHSA-N 1 2 263.366 1.784 20 30 CDEDLO C[C@H]1CN(c2nccc(C#N)c2Cl)CC[N@@H+]1CCO ZINC000343023567 356427958 /nfs/dbraw/zinc/42/79/58/356427958.db2.gz BOZCHZCMXMGSGE-JTQLQIEISA-N 1 2 280.759 1.109 20 30 CDEDLO C[C@H]1CN(c2nccc(C#N)c2Cl)CC[N@H+]1CCO ZINC000343023567 356427959 /nfs/dbraw/zinc/42/79/59/356427959.db2.gz BOZCHZCMXMGSGE-JTQLQIEISA-N 1 2 280.759 1.109 20 30 CDEDLO COc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)ccc1C#N ZINC000328743869 202035748 /nfs/dbraw/zinc/03/57/48/202035748.db2.gz KFGMZXZCGUZMMP-OKILXGFUSA-N 1 2 274.320 1.166 20 30 CDEDLO COc1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)ccc1C#N ZINC000328743869 202035753 /nfs/dbraw/zinc/03/57/53/202035753.db2.gz KFGMZXZCGUZMMP-OKILXGFUSA-N 1 2 274.320 1.166 20 30 CDEDLO CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352480487 363530683 /nfs/dbraw/zinc/53/06/83/363530683.db2.gz CNTAFOHWDVDVDQ-MNOVXSKESA-N 1 2 255.337 1.617 20 30 CDEDLO Cc1nnc(C[N@H+](C)CCOCc2ccc(C#N)cc2)n1C ZINC000344062442 356876326 /nfs/dbraw/zinc/87/63/26/356876326.db2.gz BXNPJJQNAIMDDI-UHFFFAOYSA-N 1 2 299.378 1.644 20 30 CDEDLO Cc1nnc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)n1C ZINC000344062442 356876334 /nfs/dbraw/zinc/87/63/34/356876334.db2.gz BXNPJJQNAIMDDI-UHFFFAOYSA-N 1 2 299.378 1.644 20 30 CDEDLO C#CC[N@@H+](C)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000298552843 356886903 /nfs/dbraw/zinc/88/69/03/356886903.db2.gz OJASZLHMEHIVJQ-UHFFFAOYSA-N 1 2 285.303 1.187 20 30 CDEDLO C#CC[N@H+](C)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000298552843 356886905 /nfs/dbraw/zinc/88/69/05/356886905.db2.gz OJASZLHMEHIVJQ-UHFFFAOYSA-N 1 2 285.303 1.187 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NCCc1ccccc1C ZINC000299343109 357032748 /nfs/dbraw/zinc/03/27/48/357032748.db2.gz QLFFNPOXSILWCA-MRXNPFEDSA-N 1 2 282.387 1.611 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000299258314 357000593 /nfs/dbraw/zinc/00/05/93/357000593.db2.gz GKGPPIWICXEPCP-NWDGAFQWSA-N 1 2 251.330 1.369 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)NCc1cccc(C#N)c1 ZINC000431818745 357115976 /nfs/dbraw/zinc/11/59/76/357115976.db2.gz TVLINCQUWBNPBV-UHFFFAOYSA-N 1 2 296.330 1.961 20 30 CDEDLO COC(=O)C[NH+]1CCC(Nc2cccc(C#N)c2)CC1 ZINC000181064768 357309542 /nfs/dbraw/zinc/30/95/42/357309542.db2.gz OBZOLJJXDSPWHZ-UHFFFAOYSA-N 1 2 273.336 1.608 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)[nH]1 ZINC000120245185 357393685 /nfs/dbraw/zinc/39/36/85/357393685.db2.gz PROBVVZYXIAHDM-LBPRGKRZSA-N 1 2 269.308 1.977 20 30 CDEDLO Cn1cc(C#N)cc1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334653369 357616100 /nfs/dbraw/zinc/61/61/00/357616100.db2.gz OPJRFNBRYKUAAA-UHFFFAOYSA-N 1 2 269.308 1.682 20 30 CDEDLO N#C[C@]1(F)CCN(C(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000588704511 358205039 /nfs/dbraw/zinc/20/50/39/358205039.db2.gz VWYBQBJSLDHRGT-CYBMUJFWSA-N 1 2 289.301 1.428 20 30 CDEDLO C[C@H]1C[NH+]=C(N2CCN(c3ccnc(C#N)c3)CC2)S1 ZINC000287256014 358354224 /nfs/dbraw/zinc/35/42/24/358354224.db2.gz KKMPMOQLANUWMF-NSHDSACASA-N 1 2 287.392 1.567 20 30 CDEDLO CN(CC(=O)N(CCC#N)c1ccccc1)Cc1[nH]cc[nH+]1 ZINC000595401706 358644327 /nfs/dbraw/zinc/64/43/27/358644327.db2.gz MYAWBUXBMLCFJH-UHFFFAOYSA-N 1 2 297.362 1.788 20 30 CDEDLO CC(F)(F)C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000567696365 358721230 /nfs/dbraw/zinc/72/12/30/358721230.db2.gz ACCNEFHFMBMXKZ-NSHDSACASA-N 1 2 270.279 1.543 20 30 CDEDLO Cc1nc(C(=O)N2CCn3c[nH+]cc3C2)ccc1C#N ZINC000290921694 358773507 /nfs/dbraw/zinc/77/35/07/358773507.db2.gz KODPBSUUSSXLAK-UHFFFAOYSA-N 1 2 267.292 1.114 20 30 CDEDLO Cc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1F ZINC000565339730 358804447 /nfs/dbraw/zinc/80/44/47/358804447.db2.gz XEPRKNFEGZAGCZ-AWEZNQCLSA-N 1 2 263.316 1.708 20 30 CDEDLO N#CCSCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178363276 366484461 /nfs/dbraw/zinc/48/44/61/366484461.db2.gz DSWDTAVLJNYQFS-UHFFFAOYSA-N 1 2 260.322 1.207 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/SCc1ccco1 ZINC000493654263 366487316 /nfs/dbraw/zinc/48/73/16/366487316.db2.gz NVBWNDRLRHDNGG-IZPAUZPXSA-N 1 2 293.392 1.987 20 30 CDEDLO Cc1ccc2[nH+]c(CNc3nccnc3C#N)cn2c1 ZINC000338726075 359162692 /nfs/dbraw/zinc/16/26/92/359162692.db2.gz YQRWNGKJBDTBNR-UHFFFAOYSA-N 1 2 264.292 1.917 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cccc(C#N)c1 ZINC000046885735 359174825 /nfs/dbraw/zinc/17/48/25/359174825.db2.gz SQUFCOZBPSOKDK-GFCCVEGCSA-N 1 2 273.336 1.009 20 30 CDEDLO C=C1CC[NH+](CC(=O)N[C@@H](CC(C)C)C(=O)OC)CC1 ZINC000264465007 359309385 /nfs/dbraw/zinc/30/93/85/359309385.db2.gz LLOKBLMSLDWNTF-ZDUSSCGKSA-N 1 2 282.384 1.342 20 30 CDEDLO N#Cc1cccc(NC(=O)C2CC[NH+](CC(F)F)CC2)n1 ZINC000569848656 359264459 /nfs/dbraw/zinc/26/44/59/359264459.db2.gz KTQCVYRDBMPTNM-UHFFFAOYSA-N 1 2 294.305 1.869 20 30 CDEDLO C=CCNC(=O)C[NH+]1CCN(c2nc(C)c(C)s2)CC1 ZINC000268129120 359357111 /nfs/dbraw/zinc/35/71/11/359357111.db2.gz SLVUOYWGIYAZQP-UHFFFAOYSA-N 1 2 294.424 1.184 20 30 CDEDLO CC#CC[N@@H+](CCO)Cc1cc(OC)ccc1OC ZINC000265988314 359337846 /nfs/dbraw/zinc/33/78/46/359337846.db2.gz IINQBGZGKOHWSV-UHFFFAOYSA-N 1 2 263.337 1.521 20 30 CDEDLO CC#CC[N@H+](CCO)Cc1cc(OC)ccc1OC ZINC000265988314 359337849 /nfs/dbraw/zinc/33/78/49/359337849.db2.gz IINQBGZGKOHWSV-UHFFFAOYSA-N 1 2 263.337 1.521 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000266962992 359346785 /nfs/dbraw/zinc/34/67/85/359346785.db2.gz XEOCBJKWPOOTJH-UHFFFAOYSA-N 1 2 275.308 1.797 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000266962992 359346788 /nfs/dbraw/zinc/34/67/88/359346788.db2.gz XEOCBJKWPOOTJH-UHFFFAOYSA-N 1 2 275.308 1.797 20 30 CDEDLO C#CCN(CC)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000270076688 359388714 /nfs/dbraw/zinc/38/87/14/359388714.db2.gz PRCIMAAJTJMPJK-ZDUSSCGKSA-N 1 2 272.352 1.325 20 30 CDEDLO C#CCOc1ccc(C[NH+]2CC(OCCOCC)C2)cc1 ZINC000272438378 359458611 /nfs/dbraw/zinc/45/86/11/359458611.db2.gz SJRKHIYVEVRIER-UHFFFAOYSA-N 1 2 289.375 1.936 20 30 CDEDLO C#CC[N@@H+](CCCS(=O)(=O)c1ccccc1)C1CC1 ZINC000274214394 359495156 /nfs/dbraw/zinc/49/51/56/359495156.db2.gz UEZMSHHTXSCWGT-UHFFFAOYSA-N 1 2 277.389 1.948 20 30 CDEDLO C#CC[N@H+](CCCS(=O)(=O)c1ccccc1)C1CC1 ZINC000274214394 359495160 /nfs/dbraw/zinc/49/51/60/359495160.db2.gz UEZMSHHTXSCWGT-UHFFFAOYSA-N 1 2 277.389 1.948 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCc1cccc(COC)c1)C1CC1 ZINC000274015845 359484622 /nfs/dbraw/zinc/48/46/22/359484622.db2.gz BKCGORPHTVNCFX-UHFFFAOYSA-N 1 2 286.375 1.547 20 30 CDEDLO C#CC[N@H+](CC(=O)NCc1cccc(COC)c1)C1CC1 ZINC000274015845 359484626 /nfs/dbraw/zinc/48/46/26/359484626.db2.gz BKCGORPHTVNCFX-UHFFFAOYSA-N 1 2 286.375 1.547 20 30 CDEDLO CC(=O)N1CC[N@@H+](Cc2cc(C#N)n(C)c2)C(C)(C)C1 ZINC000191463815 359630968 /nfs/dbraw/zinc/63/09/68/359630968.db2.gz PXWBOGABKRVRDU-UHFFFAOYSA-N 1 2 274.368 1.339 20 30 CDEDLO CC(=O)N1CC[N@H+](Cc2cc(C#N)n(C)c2)C(C)(C)C1 ZINC000191463815 359630972 /nfs/dbraw/zinc/63/09/72/359630972.db2.gz PXWBOGABKRVRDU-UHFFFAOYSA-N 1 2 274.368 1.339 20 30 CDEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@](C)(O)C2)c(C#N)c1C ZINC000408348109 359674608 /nfs/dbraw/zinc/67/46/08/359674608.db2.gz ZBMNGHIFPFFSKG-MEBBXXQBSA-N 1 2 291.351 1.552 20 30 CDEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@](C)(O)C2)c(C#N)c1C ZINC000408348109 359674615 /nfs/dbraw/zinc/67/46/15/359674615.db2.gz ZBMNGHIFPFFSKG-MEBBXXQBSA-N 1 2 291.351 1.552 20 30 CDEDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CC1(C#N)CC1 ZINC000495774441 366539388 /nfs/dbraw/zinc/53/93/88/366539388.db2.gz MGIUKIIJVPGJPU-NSHDSACASA-N 1 2 251.330 1.501 20 30 CDEDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1CC1(C#N)CC1 ZINC000495774441 366539389 /nfs/dbraw/zinc/53/93/89/366539389.db2.gz MGIUKIIJVPGJPU-NSHDSACASA-N 1 2 251.330 1.501 20 30 CDEDLO C=CC1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000111858415 359926057 /nfs/dbraw/zinc/92/60/57/359926057.db2.gz FCDBOVJRCJXJPX-ZIAGYGMSSA-N 1 2 295.427 1.703 20 30 CDEDLO CC[NH+](CC)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512362 360051719 /nfs/dbraw/zinc/05/17/19/360051719.db2.gz FJBLYLLAFUCNLY-UHFFFAOYSA-N 1 2 266.366 1.674 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)N2CCc3ccccc32)CC1 ZINC000176660600 189003616 /nfs/dbraw/zinc/00/36/16/189003616.db2.gz RSBADHITRSUTBS-UHFFFAOYSA-N 1 2 269.348 1.420 20 30 CDEDLO C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057907511 360167303 /nfs/dbraw/zinc/16/73/03/360167303.db2.gz GQOGEEVUZYFNKL-GXTWGEPZSA-N 1 2 263.385 1.917 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000091702911 360246180 /nfs/dbraw/zinc/24/61/80/360246180.db2.gz LNOPNMDDPCVZLC-LLVKDONJSA-N 1 2 276.340 1.086 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000091702911 360246181 /nfs/dbraw/zinc/24/61/81/360246181.db2.gz LNOPNMDDPCVZLC-LLVKDONJSA-N 1 2 276.340 1.086 20 30 CDEDLO CC(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000177508850 189054468 /nfs/dbraw/zinc/05/44/68/189054468.db2.gz VEFFRDXIJFBEDH-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO CC(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000177508850 189054469 /nfs/dbraw/zinc/05/44/69/189054469.db2.gz VEFFRDXIJFBEDH-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO C[C@@]1(O)CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000178006796 189084872 /nfs/dbraw/zinc/08/48/72/189084872.db2.gz RXSXJRPQFBJLLA-CQSZACIVSA-N 1 2 293.754 1.607 20 30 CDEDLO C[C@@]1(O)CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000178006796 189084873 /nfs/dbraw/zinc/08/48/73/189084873.db2.gz RXSXJRPQFBJLLA-CQSZACIVSA-N 1 2 293.754 1.607 20 30 CDEDLO C[C@]1(O)CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000178006782 189084900 /nfs/dbraw/zinc/08/49/00/189084900.db2.gz RXSXJRPQFBJLLA-AWEZNQCLSA-N 1 2 293.754 1.607 20 30 CDEDLO C[C@]1(O)CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000178006782 189084901 /nfs/dbraw/zinc/08/49/01/189084901.db2.gz RXSXJRPQFBJLLA-AWEZNQCLSA-N 1 2 293.754 1.607 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178424108 189115386 /nfs/dbraw/zinc/11/53/86/189115386.db2.gz OYUSXIPEMIVUKJ-IBGZPJMESA-N 1 2 280.393 1.158 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178424108 189115387 /nfs/dbraw/zinc/11/53/87/189115387.db2.gz OYUSXIPEMIVUKJ-IBGZPJMESA-N 1 2 280.393 1.158 20 30 CDEDLO CCOCCO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000127804979 360676955 /nfs/dbraw/zinc/67/69/55/360676955.db2.gz CLUIAGNLZQZIAG-UHFFFAOYSA-N 1 2 292.383 1.745 20 30 CDEDLO C=CCOCCC[N@@H+](C)Cc1nncn1C(C)C ZINC000429280369 360793359 /nfs/dbraw/zinc/79/33/59/360793359.db2.gz YKVHFSWOCRVHGO-UHFFFAOYSA-N 1 2 252.362 1.884 20 30 CDEDLO C=CCOCCC[N@H+](C)Cc1nncn1C(C)C ZINC000429280369 360793360 /nfs/dbraw/zinc/79/33/60/360793360.db2.gz YKVHFSWOCRVHGO-UHFFFAOYSA-N 1 2 252.362 1.884 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N(C)CCC#N ZINC000157632382 360939576 /nfs/dbraw/zinc/93/95/76/360939576.db2.gz DEGAZUKKAGLOOG-RYUDHWBXSA-N 1 2 250.346 1.229 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N(C)CCC#N ZINC000157632382 360939577 /nfs/dbraw/zinc/93/95/77/360939577.db2.gz DEGAZUKKAGLOOG-RYUDHWBXSA-N 1 2 250.346 1.229 20 30 CDEDLO CC[C@]1(C)COCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000575181638 361055841 /nfs/dbraw/zinc/05/58/41/361055841.db2.gz SGDBRFDCAKOXPO-OAHLLOKOSA-N 1 2 285.351 1.602 20 30 CDEDLO CC[C@]1(C)COCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000575181638 361055847 /nfs/dbraw/zinc/05/58/47/361055847.db2.gz SGDBRFDCAKOXPO-OAHLLOKOSA-N 1 2 285.351 1.602 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180299577 189249138 /nfs/dbraw/zinc/24/91/38/189249138.db2.gz KSRFJZRLENOYLE-HZSPNIEDSA-N 1 2 266.385 1.685 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180299577 189249139 /nfs/dbraw/zinc/24/91/39/189249139.db2.gz KSRFJZRLENOYLE-HZSPNIEDSA-N 1 2 266.385 1.685 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C[C@H](C)O1 ZINC000247599425 361145549 /nfs/dbraw/zinc/14/55/49/361145549.db2.gz OXGYAHCOWXKGTB-NJZAAPMLSA-N 1 2 279.384 1.294 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C[C@H](C)O1 ZINC000247599425 361145554 /nfs/dbraw/zinc/14/55/54/361145554.db2.gz OXGYAHCOWXKGTB-NJZAAPMLSA-N 1 2 279.384 1.294 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433297371 361228337 /nfs/dbraw/zinc/22/83/37/361228337.db2.gz LANZCDROYWIXLL-GFCCVEGCSA-N 1 2 264.373 1.476 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433297371 361228342 /nfs/dbraw/zinc/22/83/42/361228342.db2.gz LANZCDROYWIXLL-GFCCVEGCSA-N 1 2 264.373 1.476 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCC2(C#N)CC2)C1 ZINC000570604027 363779843 /nfs/dbraw/zinc/77/98/43/363779843.db2.gz JBUSGLGOZNWFEZ-LLVKDONJSA-N 1 2 273.340 1.223 20 30 CDEDLO C#CCN(C(=O)N[C@H](C)C[NH+]1CCOCC1)C1CCCC1 ZINC000163353462 363798614 /nfs/dbraw/zinc/79/86/14/363798614.db2.gz AUJXJFJKNLVFDM-CQSZACIVSA-N 1 2 293.411 1.295 20 30 CDEDLO CO[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@@H](C)C1 ZINC000329622978 361596547 /nfs/dbraw/zinc/59/65/47/361596547.db2.gz SAWRLXVUYGQFKP-QJPTWQEYSA-N 1 2 292.383 1.680 20 30 CDEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)Cc1nc2ccccc2o1 ZINC000526135672 363821627 /nfs/dbraw/zinc/82/16/27/363821627.db2.gz PDBZFLIAEDEHSC-UHFFFAOYSA-N 1 2 298.346 1.822 20 30 CDEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1nc2ccccc2o1 ZINC000526135672 363821630 /nfs/dbraw/zinc/82/16/30/363821630.db2.gz PDBZFLIAEDEHSC-UHFFFAOYSA-N 1 2 298.346 1.822 20 30 CDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cnns3)C2)nc1 ZINC000295205916 239301069 /nfs/dbraw/zinc/30/10/69/239301069.db2.gz OHRXTSAMYXQHRT-LLVKDONJSA-N 1 2 287.348 1.458 20 30 CDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cnns3)C2)nc1 ZINC000295205916 239301073 /nfs/dbraw/zinc/30/10/73/239301073.db2.gz OHRXTSAMYXQHRT-LLVKDONJSA-N 1 2 287.348 1.458 20 30 CDEDLO Cc1cc(N2C[C@@H](C)[S@](=O)[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000580555911 363923158 /nfs/dbraw/zinc/92/31/58/363923158.db2.gz KOAPAPSGEUNQJA-IHGORAQCSA-N 1 2 263.366 1.607 20 30 CDEDLO COCc1ccccc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000570837037 364024784 /nfs/dbraw/zinc/02/47/84/364024784.db2.gz PBIBUPXGJNASEY-CQSZACIVSA-N 1 2 277.368 1.451 20 30 CDEDLO COCc1ccccc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000570837037 364024787 /nfs/dbraw/zinc/02/47/87/364024787.db2.gz PBIBUPXGJNASEY-CQSZACIVSA-N 1 2 277.368 1.451 20 30 CDEDLO C=CCCCS(=O)(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000644168188 364089140 /nfs/dbraw/zinc/08/91/40/364089140.db2.gz JJJKBIIKCYDPDE-UHFFFAOYSA-N 1 2 294.420 1.888 20 30 CDEDLO N#CCCCS(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000374748213 370750358 /nfs/dbraw/zinc/75/03/58/370750358.db2.gz ABWBHJCFUDVXOR-SNVBAGLBSA-N 1 2 268.342 1.180 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1F ZINC000024370417 370752503 /nfs/dbraw/zinc/75/25/03/370752503.db2.gz FYYPXZPBPKLYTA-LLVKDONJSA-N 1 2 293.342 1.658 20 30 CDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1F ZINC000024370417 370752510 /nfs/dbraw/zinc/75/25/10/370752510.db2.gz FYYPXZPBPKLYTA-LLVKDONJSA-N 1 2 293.342 1.658 20 30 CDEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CCC#N)CCCO1 ZINC000497088237 366866476 /nfs/dbraw/zinc/86/64/76/366866476.db2.gz HPQUCZHLAITREB-GFCCVEGCSA-N 1 2 283.372 1.516 20 30 CDEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](CCC#N)CCCO1 ZINC000497088237 366866480 /nfs/dbraw/zinc/86/64/80/366866480.db2.gz HPQUCZHLAITREB-GFCCVEGCSA-N 1 2 283.372 1.516 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N(C)c2ccccc2)nn1 ZINC000640754788 364578642 /nfs/dbraw/zinc/57/86/42/364578642.db2.gz NAWHOKXZSFRAMT-UHFFFAOYSA-N 1 2 297.362 1.054 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000275677924 193102203 /nfs/dbraw/zinc/10/22/03/193102203.db2.gz GWDDVSOVDVGRJD-GXTWGEPZSA-N 1 2 265.357 1.617 20 30 CDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCOC[C@H]2C2CC2)cc1 ZINC000270912098 366944384 /nfs/dbraw/zinc/94/43/84/366944384.db2.gz OBUQOBFUCJAICL-INIZCTEOSA-N 1 2 299.374 1.285 20 30 CDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCOC[C@H]2C2CC2)cc1 ZINC000270912098 366944389 /nfs/dbraw/zinc/94/43/89/366944389.db2.gz OBUQOBFUCJAICL-INIZCTEOSA-N 1 2 299.374 1.285 20 30 CDEDLO CC[N@H+](CC(C)(C)O)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000270724585 366925995 /nfs/dbraw/zinc/92/59/95/366925995.db2.gz LOLUBYWEZRMXOT-CQSZACIVSA-N 1 2 290.363 1.865 20 30 CDEDLO CC[N@@H+](CC(C)(C)O)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000270724585 366926001 /nfs/dbraw/zinc/92/60/01/366926001.db2.gz LOLUBYWEZRMXOT-CQSZACIVSA-N 1 2 290.363 1.865 20 30 CDEDLO N#CC1(F)CCN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000358301555 367585751 /nfs/dbraw/zinc/58/57/51/367585751.db2.gz QLCFDYHIJOSEJL-JTQLQIEISA-N 1 2 291.330 1.304 20 30 CDEDLO N#CC1(F)CCN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000358301555 367585756 /nfs/dbraw/zinc/58/57/56/367585756.db2.gz QLCFDYHIJOSEJL-JTQLQIEISA-N 1 2 291.330 1.304 20 30 CDEDLO COC(=O)[C@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000266484261 284264321 /nfs/dbraw/zinc/26/43/21/284264321.db2.gz QWGCFZKIRZAKAX-LBPRGKRZSA-N 1 2 287.363 1.678 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000573485841 371556705 /nfs/dbraw/zinc/55/67/05/371556705.db2.gz RKLJDHBKEMIYRR-HOCLYGCPSA-N 1 2 293.411 1.542 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000573485841 371556714 /nfs/dbraw/zinc/55/67/14/371556714.db2.gz RKLJDHBKEMIYRR-HOCLYGCPSA-N 1 2 293.411 1.542 20 30 CDEDLO C=CCC(C)(C)c1noc([C@H]2C[N@H+](C)CCO2)n1 ZINC000351275455 372382005 /nfs/dbraw/zinc/38/20/05/372382005.db2.gz OVUWVABFKOTXID-SNVBAGLBSA-N 1 2 251.330 1.926 20 30 CDEDLO C=CCC(C)(C)c1noc([C@H]2C[N@@H+](C)CCO2)n1 ZINC000351275455 372382013 /nfs/dbraw/zinc/38/20/13/372382013.db2.gz OVUWVABFKOTXID-SNVBAGLBSA-N 1 2 251.330 1.926 20 30 CDEDLO COc1cc(C)ccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000579838919 372643853 /nfs/dbraw/zinc/64/38/53/372643853.db2.gz DYOILRVLBDRPQO-HNNXBMFYSA-N 1 2 275.352 1.577 20 30 CDEDLO N#CCC1(O)CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000579874993 372645666 /nfs/dbraw/zinc/64/56/66/372645666.db2.gz IEUHOOTZEQMVNM-UHFFFAOYSA-N 1 2 296.330 1.032 20 30 CDEDLO Cc1c([C@H](C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cnn1C ZINC000348015196 372794166 /nfs/dbraw/zinc/79/41/66/372794166.db2.gz TVGOIBFXBQUCGY-BONVTDFDSA-N 1 2 297.362 1.477 20 30 CDEDLO Cc1cc(N2CC[C@H](c3cnn(C)c3)C2)c(C#N)c[nH+]1 ZINC000333490103 205369416 /nfs/dbraw/zinc/36/94/16/205369416.db2.gz QUEAXEZYTLVDEJ-LBPRGKRZSA-N 1 2 267.336 1.989 20 30 CDEDLO CCN1CCC[N@H+](Cc2cc(C#N)ccc2OC)CC1=O ZINC000190180084 373329716 /nfs/dbraw/zinc/32/97/16/373329716.db2.gz UFTWEUKSCXHXIW-UHFFFAOYSA-N 1 2 287.363 1.621 20 30 CDEDLO CCN1CCC[N@@H+](Cc2cc(C#N)ccc2OC)CC1=O ZINC000190180084 373329721 /nfs/dbraw/zinc/32/97/21/373329721.db2.gz UFTWEUKSCXHXIW-UHFFFAOYSA-N 1 2 287.363 1.621 20 30 CDEDLO C=CC[N@@H+](CCOC)CC(=O)N(C)c1nccs1 ZINC000191145754 373458578 /nfs/dbraw/zinc/45/85/78/373458578.db2.gz DEMSGKSIMFXQBD-UHFFFAOYSA-N 1 2 269.370 1.240 20 30 CDEDLO C=CC[N@H+](CCOC)CC(=O)N(C)c1nccs1 ZINC000191145754 373458587 /nfs/dbraw/zinc/45/85/87/373458587.db2.gz DEMSGKSIMFXQBD-UHFFFAOYSA-N 1 2 269.370 1.240 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CCO1 ZINC000192040195 373574742 /nfs/dbraw/zinc/57/47/42/373574742.db2.gz MUQLSCNOFOWSSU-CYBMUJFWSA-N 1 2 264.300 1.545 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CCO1 ZINC000192040195 373574752 /nfs/dbraw/zinc/57/47/52/373574752.db2.gz MUQLSCNOFOWSSU-CYBMUJFWSA-N 1 2 264.300 1.545 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(OC)cc1OC ZINC000584419161 373731302 /nfs/dbraw/zinc/73/13/02/373731302.db2.gz XIKBKMFODDBVJP-NSHDSACASA-N 1 2 291.351 1.924 20 30 CDEDLO Cn1c[nH+]cc1CNC(=O)Cc1ccc(C#N)cc1 ZINC000355296047 373825416 /nfs/dbraw/zinc/82/54/16/373825416.db2.gz RTOLCBMCOCZQSG-UHFFFAOYSA-N 1 2 254.293 1.151 20 30 CDEDLO C[C@H]1OCC[C@]12C[N@H+](Cc1cc(C#N)cs1)CCO2 ZINC000355219247 373825433 /nfs/dbraw/zinc/82/54/33/373825433.db2.gz LRIRYDKCQLXBCC-RISCZKNCSA-N 1 2 278.377 2.000 20 30 CDEDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cc(C#N)cs1)CCO2 ZINC000355219247 373825439 /nfs/dbraw/zinc/82/54/39/373825439.db2.gz LRIRYDKCQLXBCC-RISCZKNCSA-N 1 2 278.377 2.000 20 30 CDEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cnn(C)c1C#N ZINC000357159451 373894773 /nfs/dbraw/zinc/89/47/73/373894773.db2.gz KSLVUNSWGBHIGK-UHFFFAOYSA-N 1 2 298.350 1.097 20 30 CDEDLO C[C@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1ccc(C#N)o1 ZINC000356812492 373872422 /nfs/dbraw/zinc/87/24/22/373872422.db2.gz PPFTVCVWGVKHBH-WCQYABFASA-N 1 2 289.335 1.086 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccccn1 ZINC000361146173 374036636 /nfs/dbraw/zinc/03/66/36/374036636.db2.gz AQZRQVWCIXHYRV-IAQYHMDHSA-N 1 2 280.331 1.830 20 30 CDEDLO N#Cc1ncccc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000273986286 374060662 /nfs/dbraw/zinc/06/06/62/374060662.db2.gz IFVMBGHWRUAVPA-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCO[C@@H](C)C1 ZINC000061918361 374121267 /nfs/dbraw/zinc/12/12/67/374121267.db2.gz MUNDEUIPRZOSAP-STQMWFEESA-N 1 2 287.363 1.996 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCO[C@@H](C)C1 ZINC000061918361 374121271 /nfs/dbraw/zinc/12/12/71/374121271.db2.gz MUNDEUIPRZOSAP-STQMWFEESA-N 1 2 287.363 1.996 20 30 CDEDLO Cc1cc(N2CCN(C(=O)C3CC3)CC2)c(C#N)c[nH+]1 ZINC000515468686 374129001 /nfs/dbraw/zinc/12/90/01/374129001.db2.gz NKMBQIHGKQHNCY-UHFFFAOYSA-N 1 2 270.336 1.320 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368972350 374339427 /nfs/dbraw/zinc/33/94/27/374339427.db2.gz FBABNYJXQRSSOJ-CQDKDKBSSA-N 1 2 287.338 1.783 20 30 CDEDLO N#Cc1cc(F)ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368972350 374339431 /nfs/dbraw/zinc/33/94/31/374339431.db2.gz FBABNYJXQRSSOJ-CQDKDKBSSA-N 1 2 287.338 1.783 20 30 CDEDLO CC(C)C(=O)N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000276742638 374745861 /nfs/dbraw/zinc/74/58/61/374745861.db2.gz JIJBULRLAVSZNP-UHFFFAOYSA-N 1 2 274.368 1.197 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H](C)N1CCO ZINC000449535357 374819273 /nfs/dbraw/zinc/81/92/73/374819273.db2.gz OCDFCIIROZQUCU-TXEJJXNPSA-N 1 2 279.409 1.507 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H](C)N1CCO ZINC000449535357 374819281 /nfs/dbraw/zinc/81/92/81/374819281.db2.gz OCDFCIIROZQUCU-TXEJJXNPSA-N 1 2 279.409 1.507 20 30 CDEDLO CCOC(=O)[C@H](F)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000293837968 374890527 /nfs/dbraw/zinc/89/05/27/374890527.db2.gz GZFICCWATVWZHS-GFCCVEGCSA-N 1 2 282.340 1.953 20 30 CDEDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000282462363 375085966 /nfs/dbraw/zinc/08/59/66/375085966.db2.gz VTGFOFBSYZINOE-CQSZACIVSA-N 1 2 287.363 1.667 20 30 CDEDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000282462363 375085974 /nfs/dbraw/zinc/08/59/74/375085974.db2.gz VTGFOFBSYZINOE-CQSZACIVSA-N 1 2 287.363 1.667 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCOC[C@@H]1c1cccn1C ZINC000131897714 375461227 /nfs/dbraw/zinc/46/12/27/375461227.db2.gz ZKLIDKVCBHTKTE-UKRRQHHQSA-N 1 2 264.369 1.726 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1cccn1C ZINC000131897714 375461238 /nfs/dbraw/zinc/46/12/38/375461238.db2.gz ZKLIDKVCBHTKTE-UKRRQHHQSA-N 1 2 264.369 1.726 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000131789591 375452423 /nfs/dbraw/zinc/45/24/23/375452423.db2.gz LXUIGUNCFDYWHI-DZGCQCFKSA-N 1 2 270.336 1.978 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000131789591 375452427 /nfs/dbraw/zinc/45/24/27/375452427.db2.gz LXUIGUNCFDYWHI-DZGCQCFKSA-N 1 2 270.336 1.978 20 30 CDEDLO Cc1nc(C#N)c(C#N)n1Cc1[nH+]ccn1C(F)F ZINC000428914170 247379201 /nfs/dbraw/zinc/37/92/01/247379201.db2.gz DFWGPPHNWXRJFB-UHFFFAOYSA-N 1 2 262.223 1.575 20 30 CDEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC[C@H]1CO ZINC000328623545 375900022 /nfs/dbraw/zinc/90/00/22/375900022.db2.gz YZEOIERHLSFGOJ-RYUDHWBXSA-N 1 2 278.356 1.131 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ncoc1C1CC1 ZINC000328799902 375974880 /nfs/dbraw/zinc/97/48/80/375974880.db2.gz HQZGGJYTDYZLDB-JTQLQIEISA-N 1 2 279.340 1.577 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ncoc1C1CC1 ZINC000328799902 375974888 /nfs/dbraw/zinc/97/48/88/375974888.db2.gz HQZGGJYTDYZLDB-JTQLQIEISA-N 1 2 279.340 1.577 20 30 CDEDLO O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000328700729 375932864 /nfs/dbraw/zinc/93/28/64/375932864.db2.gz MYGCWKCRFJAEBT-GXTWGEPZSA-N 1 2 293.367 1.407 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@H]2CCCCO2)C1 ZINC000328884294 375998674 /nfs/dbraw/zinc/99/86/74/375998674.db2.gz YKYPIDFCAMQXLU-CHWSQXEVSA-N 1 2 292.383 1.693 20 30 CDEDLO COCC1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000328905469 376021867 /nfs/dbraw/zinc/02/18/67/376021867.db2.gz KANXAPLNQOXQJK-LLVKDONJSA-N 1 2 263.341 1.971 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2cccc(NC(C)=O)c2)nn1 ZINC000631163474 375982042 /nfs/dbraw/zinc/98/20/42/375982042.db2.gz PELAQPOYYKPMBY-UHFFFAOYSA-N 1 2 285.351 1.712 20 30 CDEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000375697215 376481926 /nfs/dbraw/zinc/48/19/26/376481926.db2.gz MBWQQOHXNWVVOM-WDEREUQCSA-N 1 2 297.384 1.025 20 30 CDEDLO C[N@H+](CC(=O)NCC#N)Cc1ccc(Br)o1 ZINC000066494187 376663623 /nfs/dbraw/zinc/66/36/23/376663623.db2.gz KFGHXMVXVQVYIO-UHFFFAOYSA-N 1 2 286.129 1.114 20 30 CDEDLO C[N@@H+](CC(=O)NCC#N)Cc1ccc(Br)o1 ZINC000066494187 376663632 /nfs/dbraw/zinc/66/36/32/376663632.db2.gz KFGHXMVXVQVYIO-UHFFFAOYSA-N 1 2 286.129 1.114 20 30 CDEDLO CCC[N@H+](CCOc1ccccc1C#N)CC(=O)OC ZINC000172732101 377717864 /nfs/dbraw/zinc/71/78/64/377717864.db2.gz SKTUMHABJXAPMG-UHFFFAOYSA-N 1 2 276.336 1.822 20 30 CDEDLO CCC[N@@H+](CCOc1ccccc1C#N)CC(=O)OC ZINC000172732101 377717870 /nfs/dbraw/zinc/71/78/70/377717870.db2.gz SKTUMHABJXAPMG-UHFFFAOYSA-N 1 2 276.336 1.822 20 30 CDEDLO C=C(C)CS(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000280514934 377955806 /nfs/dbraw/zinc/95/58/06/377955806.db2.gz FCMGALMGONMAPU-NSHDSACASA-N 1 2 269.370 1.495 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](C)C[C@H]2C(=O)OC)C1=O ZINC000281332864 378000708 /nfs/dbraw/zinc/00/07/08/378000708.db2.gz LYDHYIZGARZNRP-AGIUHOORSA-N 1 2 280.368 1.047 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C)C[C@H]2C(=O)OC)C1=O ZINC000281332864 378000711 /nfs/dbraw/zinc/00/07/11/378000711.db2.gz LYDHYIZGARZNRP-AGIUHOORSA-N 1 2 280.368 1.047 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccnn1-c1ccccc1 ZINC000563815649 378184737 /nfs/dbraw/zinc/18/47/37/378184737.db2.gz PZBJZRHSOOVCQY-INIZCTEOSA-N 1 2 297.362 1.446 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000192236246 378177373 /nfs/dbraw/zinc/17/73/73/378177373.db2.gz USOKFTFFHAQVPP-SNVBAGLBSA-N 1 2 261.281 1.487 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000192236246 378177380 /nfs/dbraw/zinc/17/73/80/378177380.db2.gz USOKFTFFHAQVPP-SNVBAGLBSA-N 1 2 261.281 1.487 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000192239136 378180231 /nfs/dbraw/zinc/18/02/31/378180231.db2.gz BRHITRSRQRYTLT-NSHDSACASA-N 1 2 275.308 1.795 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000192239136 378180237 /nfs/dbraw/zinc/18/02/37/378180237.db2.gz BRHITRSRQRYTLT-NSHDSACASA-N 1 2 275.308 1.795 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000290480684 378379921 /nfs/dbraw/zinc/37/99/21/378379921.db2.gz NSRQXDZPBSWLNL-BXUZGUMPSA-N 1 2 263.341 1.443 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)c2cnc(C)nc2C)C1=O ZINC000639132105 378768632 /nfs/dbraw/zinc/76/86/32/378768632.db2.gz FCVHVSRLFZRXHX-WFASDCNBSA-N 1 2 288.395 1.873 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)c2cnc(C)nc2C)C1=O ZINC000639132105 378768636 /nfs/dbraw/zinc/76/86/36/378768636.db2.gz FCVHVSRLFZRXHX-WFASDCNBSA-N 1 2 288.395 1.873 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccns2)C1=O ZINC000639132095 378768780 /nfs/dbraw/zinc/76/87/80/378768780.db2.gz DYAOAMJACFBMCA-NSHDSACASA-N 1 2 251.355 1.362 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccns2)C1=O ZINC000639132095 378768785 /nfs/dbraw/zinc/76/87/85/378768785.db2.gz DYAOAMJACFBMCA-NSHDSACASA-N 1 2 251.355 1.362 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)[C@H]1COCC[N@H+]1CC ZINC000343487721 378892153 /nfs/dbraw/zinc/89/21/53/378892153.db2.gz JDGIKFYFQCVGLW-CHWSQXEVSA-N 1 2 254.374 1.568 20 30 CDEDLO C=CCCC[C@@H](C)NC(=O)[C@H]1COCC[N@@H+]1CC ZINC000343487721 378892160 /nfs/dbraw/zinc/89/21/60/378892160.db2.gz JDGIKFYFQCVGLW-CHWSQXEVSA-N 1 2 254.374 1.568 20 30 CDEDLO C=CCn1cccc1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000334542366 378960698 /nfs/dbraw/zinc/96/06/98/378960698.db2.gz GVSYRZOGRNLHRY-LSDHHAIUSA-N 1 2 289.379 1.219 20 30 CDEDLO C=CCn1cccc1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000334542366 378960700 /nfs/dbraw/zinc/96/07/00/378960700.db2.gz GVSYRZOGRNLHRY-LSDHHAIUSA-N 1 2 289.379 1.219 20 30 CDEDLO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000444793934 250188463 /nfs/dbraw/zinc/18/84/63/250188463.db2.gz QMOQJWFRROSZPY-HNNXBMFYSA-N 1 2 292.404 1.957 20 30 CDEDLO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000444793934 250188465 /nfs/dbraw/zinc/18/84/65/250188465.db2.gz QMOQJWFRROSZPY-HNNXBMFYSA-N 1 2 292.404 1.957 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000278729663 194127011 /nfs/dbraw/zinc/12/70/11/194127011.db2.gz DBGADRNDGIWYGO-INIZCTEOSA-N 1 2 285.347 1.816 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000289457863 197356332 /nfs/dbraw/zinc/35/63/32/197356332.db2.gz CDEZPIMKPYROMP-OAHLLOKOSA-N 1 2 273.336 1.586 20 30 CDEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000662160906 412910012 /nfs/dbraw/zinc/91/00/12/412910012.db2.gz JMSCAYSIMSSNID-NOZJJQNGSA-N 1 2 284.306 1.279 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@H](C)c1nc(-c2cccs2)no1 ZINC000662165857 412914200 /nfs/dbraw/zinc/91/42/00/412914200.db2.gz RZUBAPGKIDHVQG-RKDXNWHRSA-N 1 2 265.338 1.996 20 30 CDEDLO COC(=O)C[NH+]1CCC(Nc2cc(C)cc(C#N)c2)CC1 ZINC000449760536 251004382 /nfs/dbraw/zinc/00/43/82/251004382.db2.gz PMZXKLQTRZWLMT-UHFFFAOYSA-N 1 2 287.363 1.916 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C#Cc1ccccc1 ZINC000279389807 194414192 /nfs/dbraw/zinc/41/41/92/194414192.db2.gz VDDHFYLXAWIIDT-HNNXBMFYSA-N 1 2 286.375 1.217 20 30 CDEDLO CO[C@@H]1C[C@H](NC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1(C)C ZINC000330179882 532953421 /nfs/dbraw/zinc/95/34/21/532953421.db2.gz FPRDOCRSYQVVNA-GRYCIOLGSA-N 1 2 292.383 1.515 20 30 CDEDLO CO[C@@H]1C[C@H]([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)C1(C)C ZINC000330179882 532953424 /nfs/dbraw/zinc/95/34/24/532953424.db2.gz FPRDOCRSYQVVNA-GRYCIOLGSA-N 1 2 292.383 1.515 20 30 CDEDLO C=CCN1CC[C@H]([NH2+][C@H](C)c2nnc(C)s2)C1=O ZINC000280988640 195059736 /nfs/dbraw/zinc/05/97/36/195059736.db2.gz IXFQTQYBHKDCME-SCZZXKLOSA-N 1 2 266.370 1.284 20 30 CDEDLO C=CC[C@H](CC)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000281059455 195088401 /nfs/dbraw/zinc/08/84/01/195088401.db2.gz RKORXOYVZGOOJI-RYUDHWBXSA-N 1 2 250.346 1.926 20 30 CDEDLO C#C[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)C(C)C ZINC000281090139 195099575 /nfs/dbraw/zinc/09/95/75/195099575.db2.gz OZICQEJZXISJME-ZDUSSCGKSA-N 1 2 270.336 1.791 20 30 CDEDLO CC[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H](C)CS(C)(=O)=O ZINC000192023723 285096888 /nfs/dbraw/zinc/09/68/88/285096888.db2.gz NDWHJOFFFSHNES-NSHDSACASA-N 1 2 298.383 1.952 20 30 CDEDLO CC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H](C)CS(C)(=O)=O ZINC000192023723 285096893 /nfs/dbraw/zinc/09/68/93/285096893.db2.gz NDWHJOFFFSHNES-NSHDSACASA-N 1 2 298.383 1.952 20 30 CDEDLO C=CC[N@@H+](CCc1ccco1)[C@H]1CS(=O)(=O)C[C@H]1OC ZINC000660225069 412997656 /nfs/dbraw/zinc/99/76/56/412997656.db2.gz MEYMLPIWISZKNT-UONOGXRCSA-N 1 2 299.392 1.122 20 30 CDEDLO C=CC[N@H+](CCc1ccco1)[C@H]1CS(=O)(=O)C[C@H]1OC ZINC000660225069 412997659 /nfs/dbraw/zinc/99/76/59/412997659.db2.gz MEYMLPIWISZKNT-UONOGXRCSA-N 1 2 299.392 1.122 20 30 CDEDLO CCn1cc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cn1 ZINC000507216901 254099725 /nfs/dbraw/zinc/09/97/25/254099725.db2.gz ZHXFYQRGPWTPHK-CQSZACIVSA-N 1 2 283.335 1.091 20 30 CDEDLO C=CC[C@H](CC)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000281331263 195200511 /nfs/dbraw/zinc/20/05/11/195200511.db2.gz LGRLGUDDNOETSJ-NSHDSACASA-N 1 2 250.346 1.916 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000281391246 195222457 /nfs/dbraw/zinc/22/24/57/195222457.db2.gz VGMQJYCHRCVORW-GFCCVEGCSA-N 1 2 296.330 1.863 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H]1CCCC[C@@H]1O ZINC000574880677 335054971 /nfs/dbraw/zinc/05/49/71/335054971.db2.gz PWXXSUZAUOGOQB-HOTGVXAUSA-N 1 2 295.427 1.085 20 30 CDEDLO C=CCSCCNC(=O)NCc1[nH+]ccn1C ZINC000264098404 131394373 /nfs/dbraw/zinc/39/43/73/131394373.db2.gz FMWZSJQZPAVGRP-UHFFFAOYSA-N 1 2 254.359 1.139 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000281690038 195338580 /nfs/dbraw/zinc/33/85/80/195338580.db2.gz GJCUQZNKWXKLDS-UHFFFAOYSA-N 1 2 291.351 1.300 20 30 CDEDLO C=C[C@H](O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000646946939 390310729 /nfs/dbraw/zinc/31/07/29/390310729.db2.gz DZZMNCJYNMAXHG-ZDUSSCGKSA-N 1 2 271.320 1.936 20 30 CDEDLO N#CC1(C(=O)NCCc2cn3ccccc3[nH+]2)CCOCC1 ZINC000109139105 390630492 /nfs/dbraw/zinc/63/04/92/390630492.db2.gz ITCGREIVGPPFLV-UHFFFAOYSA-N 1 2 298.346 1.313 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1cccnc1 ZINC000119432474 390847953 /nfs/dbraw/zinc/84/79/53/390847953.db2.gz FDNAQAXGFQPPTB-OAHLLOKOSA-N 1 2 274.368 1.568 20 30 CDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cccnc1 ZINC000119432474 390847956 /nfs/dbraw/zinc/84/79/56/390847956.db2.gz FDNAQAXGFQPPTB-OAHLLOKOSA-N 1 2 274.368 1.568 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000448918742 390914370 /nfs/dbraw/zinc/91/43/70/390914370.db2.gz VDQJAHLFECNSSU-RYUDHWBXSA-N 1 2 254.374 1.424 20 30 CDEDLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000365234293 390967638 /nfs/dbraw/zinc/96/76/38/390967638.db2.gz NJDWXIFNZJDEFV-ZIAGYGMSSA-N 1 2 291.351 1.049 20 30 CDEDLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000365234293 390967639 /nfs/dbraw/zinc/96/76/39/390967639.db2.gz NJDWXIFNZJDEFV-ZIAGYGMSSA-N 1 2 291.351 1.049 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cc1F ZINC000365234509 390967651 /nfs/dbraw/zinc/96/76/51/390967651.db2.gz OEGWNSHGRBADHD-GFCCVEGCSA-N 1 2 275.283 1.334 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)cc1F ZINC000365234509 390967652 /nfs/dbraw/zinc/96/76/52/390967652.db2.gz OEGWNSHGRBADHD-GFCCVEGCSA-N 1 2 275.283 1.334 20 30 CDEDLO C=C(Cl)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000373718719 391129383 /nfs/dbraw/zinc/12/93/83/391129383.db2.gz HHYYJPZNXWCBAR-GFCCVEGCSA-N 1 2 272.776 1.499 20 30 CDEDLO C=C(Cl)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000373718719 391129386 /nfs/dbraw/zinc/12/93/86/391129386.db2.gz HHYYJPZNXWCBAR-GFCCVEGCSA-N 1 2 272.776 1.499 20 30 CDEDLO COC(=O)[C@H]([C@@H](C)O)[N@H+](CCCC#N)Cc1ccccc1 ZINC000351968908 533364413 /nfs/dbraw/zinc/36/44/13/533364413.db2.gz TYBWYSJITMSZPM-HIFRSBDPSA-N 1 2 290.363 1.715 20 30 CDEDLO COC(=O)[C@H]([C@@H](C)O)[N@@H+](CCCC#N)Cc1ccccc1 ZINC000351968908 533364418 /nfs/dbraw/zinc/36/44/18/533364418.db2.gz TYBWYSJITMSZPM-HIFRSBDPSA-N 1 2 290.363 1.715 20 30 CDEDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)CCCC#N)C1 ZINC000374350841 391159887 /nfs/dbraw/zinc/15/98/87/391159887.db2.gz KZSSGOFAAANQES-AWEZNQCLSA-N 1 2 293.392 1.396 20 30 CDEDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)CCCC#N)C1 ZINC000374350841 391159890 /nfs/dbraw/zinc/15/98/90/391159890.db2.gz KZSSGOFAAANQES-AWEZNQCLSA-N 1 2 293.392 1.396 20 30 CDEDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)c(O)c2)c2[nH+]ccn21 ZINC000456415209 391283991 /nfs/dbraw/zinc/28/39/91/391283991.db2.gz JETJTFBJFFHUAY-BXKDBHETSA-N 1 2 282.303 1.896 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000339533531 391312525 /nfs/dbraw/zinc/31/25/25/391312525.db2.gz XCYWRYVYDQZJJK-ZDUSSCGKSA-N 1 2 292.383 1.250 20 30 CDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCC[C@@H](C)O)CCC2 ZINC000330385694 391413386 /nfs/dbraw/zinc/41/33/86/391413386.db2.gz AAHCBPRRVYKFBY-NEPJUHHUSA-N 1 2 280.372 1.343 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000276822108 391343279 /nfs/dbraw/zinc/34/32/79/391343279.db2.gz ONDBXLJAZCZHAE-NSHDSACASA-N 1 2 283.335 1.735 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCn2cnnc2[C@@H]1C ZINC000276822108 391343284 /nfs/dbraw/zinc/34/32/84/391343284.db2.gz ONDBXLJAZCZHAE-NSHDSACASA-N 1 2 283.335 1.735 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000346283873 391343461 /nfs/dbraw/zinc/34/34/61/391343461.db2.gz SMOCEHOXCOQXJD-ZFWWWQNUSA-N 1 2 285.347 1.932 20 30 CDEDLO CC#CC[N@H+](C)CCCS(=O)(=O)c1ccc(F)cc1 ZINC000339753963 391348107 /nfs/dbraw/zinc/34/81/07/391348107.db2.gz LPDNPUBTRZTOBR-UHFFFAOYSA-N 1 2 283.368 1.945 20 30 CDEDLO CC#CC[N@@H+](C)CCCS(=O)(=O)c1ccc(F)cc1 ZINC000339753963 391348112 /nfs/dbraw/zinc/34/81/12/391348112.db2.gz LPDNPUBTRZTOBR-UHFFFAOYSA-N 1 2 283.368 1.945 20 30 CDEDLO Cc1cccnc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000328965371 391400353 /nfs/dbraw/zinc/40/03/53/391400353.db2.gz SDTFCOACUNCKQU-SNVBAGLBSA-N 1 2 256.309 1.975 20 30 CDEDLO Cc1cccnc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000328965371 391400356 /nfs/dbraw/zinc/40/03/56/391400356.db2.gz SDTFCOACUNCKQU-SNVBAGLBSA-N 1 2 256.309 1.975 20 30 CDEDLO C[C@@H](O)CN1CC[N@H+](Cc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000330420437 391419810 /nfs/dbraw/zinc/41/98/10/391419810.db2.gz XPBWOSXHSPTONT-HUUCEWRRSA-N 1 2 287.407 1.640 20 30 CDEDLO C[C@@H](O)CN1CC[N@@H+](Cc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000330420437 391419815 /nfs/dbraw/zinc/41/98/15/391419815.db2.gz XPBWOSXHSPTONT-HUUCEWRRSA-N 1 2 287.407 1.640 20 30 CDEDLO CCC[N@H+](CC(=O)NC1(C#N)CCC1)[C@@H](C)C(=O)OCC ZINC000411651849 391494972 /nfs/dbraw/zinc/49/49/72/391494972.db2.gz UHWDVILVIFVQAH-LBPRGKRZSA-N 1 2 295.383 1.212 20 30 CDEDLO CCC[N@@H+](CC(=O)NC1(C#N)CCC1)[C@@H](C)C(=O)OCC ZINC000411651849 391494975 /nfs/dbraw/zinc/49/49/75/391494975.db2.gz UHWDVILVIFVQAH-LBPRGKRZSA-N 1 2 295.383 1.212 20 30 CDEDLO CN(CC[NH+]1CCOCC1)Cc1ccc(C#N)cc1Cl ZINC000439454623 391640475 /nfs/dbraw/zinc/64/04/75/391640475.db2.gz NXAUDCNQAFJCCE-UHFFFAOYSA-N 1 2 293.798 1.976 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360623184 391666267 /nfs/dbraw/zinc/66/62/67/391666267.db2.gz VSCMMKTYGUSKDB-OAHLLOKOSA-N 1 2 274.364 1.662 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360623184 391666269 /nfs/dbraw/zinc/66/62/69/391666269.db2.gz VSCMMKTYGUSKDB-OAHLLOKOSA-N 1 2 274.364 1.662 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2C(=O)OCC)C1=O ZINC000282016072 391669057 /nfs/dbraw/zinc/66/90/57/391669057.db2.gz OVXJRIPVNFBMRM-STQMWFEESA-N 1 2 280.368 1.191 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2C(=O)OCC)C1=O ZINC000282016072 391669063 /nfs/dbraw/zinc/66/90/63/391669063.db2.gz OVXJRIPVNFBMRM-STQMWFEESA-N 1 2 280.368 1.191 20 30 CDEDLO C=C(C)C[N@H+]1CCc2c(cccc2S(=O)(=O)N(C)C)C1 ZINC000284857456 391708943 /nfs/dbraw/zinc/70/89/43/391708943.db2.gz RVTHDFDMFFRRIW-UHFFFAOYSA-N 1 2 294.420 1.871 20 30 CDEDLO C=C(C)C[N@@H+]1CCc2c(cccc2S(=O)(=O)N(C)C)C1 ZINC000284857456 391708945 /nfs/dbraw/zinc/70/89/45/391708945.db2.gz RVTHDFDMFFRRIW-UHFFFAOYSA-N 1 2 294.420 1.871 20 30 CDEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC000341694703 129977388 /nfs/dbraw/zinc/97/73/88/129977388.db2.gz UJXCWSHVTNLRDM-GFCCVEGCSA-N 1 2 269.308 1.501 20 30 CDEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCC[C@@H]1CCO[C@H](C)C1 ZINC000329757657 391772243 /nfs/dbraw/zinc/77/22/43/391772243.db2.gz NCVCOKBADJMRIO-MGPQQGTHSA-N 1 2 284.400 1.869 20 30 CDEDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCC[C@@H]1CCO[C@H](C)C1 ZINC000329757657 391772247 /nfs/dbraw/zinc/77/22/47/391772247.db2.gz NCVCOKBADJMRIO-MGPQQGTHSA-N 1 2 284.400 1.869 20 30 CDEDLO CC(C)(CNC(=O)N[C@H]1C=CCCC1)[NH+]1CCOCC1 ZINC000329792482 391779755 /nfs/dbraw/zinc/77/97/55/391779755.db2.gz AEYNIFNFISVFPC-ZDUSSCGKSA-N 1 2 281.400 1.710 20 30 CDEDLO CCn1cc([NH+]=C([O-])N2CCn3c[nH+]cc3C2)cn1 ZINC000329830963 391786920 /nfs/dbraw/zinc/78/69/20/391786920.db2.gz JYNYTGLWEQVGFM-UHFFFAOYSA-N 1 2 260.301 1.161 20 30 CDEDLO Cc1noc(C[NH+]2CCC([C@H](O)C(=O)NC3CC3)CC2)n1 ZINC000329864836 391791025 /nfs/dbraw/zinc/79/10/25/391791025.db2.gz ZYJVVLAAKYWVPP-ZDUSSCGKSA-N 1 2 294.355 1.070 20 30 CDEDLO C[C@H](C#N)CN(C)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000343157017 392098610 /nfs/dbraw/zinc/09/86/10/392098610.db2.gz ZMZRMPIMQDMQKN-SNVBAGLBSA-N 1 2 273.327 1.582 20 30 CDEDLO C[C@@H](C(=O)NCc1ccc(C#N)s1)[NH+]1CCSCC1 ZINC000421599536 392938898 /nfs/dbraw/zinc/93/88/98/392938898.db2.gz DVFIPQOWHYJMRU-JTQLQIEISA-N 1 2 295.433 1.673 20 30 CDEDLO CC#CC[C@@H](CO)NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000649186226 392963453 /nfs/dbraw/zinc/96/34/53/392963453.db2.gz UTAQCPWHUQIGBP-ZDUSSCGKSA-N 1 2 285.347 1.235 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)ccn1 ZINC000527538658 392982100 /nfs/dbraw/zinc/98/21/00/392982100.db2.gz FRAPOZUXXPIJDK-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO CC#CCCNC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657849318 413057993 /nfs/dbraw/zinc/05/79/93/413057993.db2.gz HEWURVXFAGXEBO-UHFFFAOYSA-N 1 2 284.319 1.111 20 30 CDEDLO Cc1nc(NCCNc2cccc[nH+]2)ccc1C#N ZINC000487937877 393348832 /nfs/dbraw/zinc/34/88/32/393348832.db2.gz CJVCRIZTGMYSEJ-UHFFFAOYSA-N 1 2 253.309 1.603 20 30 CDEDLO Cc1ccc(C#N)c(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)n1 ZINC000286358025 292044918 /nfs/dbraw/zinc/04/49/18/292044918.db2.gz MZTXSMKFUZXDRM-ZFWWWQNUSA-N 1 2 286.379 1.561 20 30 CDEDLO C=CCn1cc(C[NH2+][C@@H]2CCCn3nccc32)nn1 ZINC000658037642 413147345 /nfs/dbraw/zinc/14/73/45/413147345.db2.gz IGFBVCNCZJMEBF-GFCCVEGCSA-N 1 2 258.329 1.285 20 30 CDEDLO C=C[C@H](O)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000646900453 397767475 /nfs/dbraw/zinc/76/74/75/397767475.db2.gz VOOZQTBUZJUMLA-HNNXBMFYSA-N 1 2 299.374 1.679 20 30 CDEDLO COC(=O)C(C)(C)[N@H+](C)CCOc1ccccc1C#N ZINC000346027384 153029631 /nfs/dbraw/zinc/02/96/31/153029631.db2.gz NNJLYUSWQMOBIN-UHFFFAOYSA-N 1 2 276.336 1.820 20 30 CDEDLO COC(=O)C(C)(C)[N@@H+](C)CCOc1ccccc1C#N ZINC000346027384 153029634 /nfs/dbraw/zinc/02/96/34/153029634.db2.gz NNJLYUSWQMOBIN-UHFFFAOYSA-N 1 2 276.336 1.820 20 30 CDEDLO CC(=O)NCCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000362069535 159057921 /nfs/dbraw/zinc/05/79/21/159057921.db2.gz VNQXBVHUCJSUCP-MRXNPFEDSA-N 1 2 287.363 1.458 20 30 CDEDLO CC(=O)NCCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000362069535 159057923 /nfs/dbraw/zinc/05/79/23/159057923.db2.gz VNQXBVHUCJSUCP-MRXNPFEDSA-N 1 2 287.363 1.458 20 30 CDEDLO N#Cc1cccc(OCC[N@@H+]2CCN3C(=O)OC[C@@H]3C2)c1 ZINC000374561929 160296257 /nfs/dbraw/zinc/29/62/57/160296257.db2.gz UCCKJJIQKCPJEO-ZDUSSCGKSA-N 1 2 287.319 1.073 20 30 CDEDLO N#Cc1cccc(OCC[N@H+]2CCN3C(=O)OC[C@@H]3C2)c1 ZINC000374561929 160296259 /nfs/dbraw/zinc/29/62/59/160296259.db2.gz UCCKJJIQKCPJEO-ZDUSSCGKSA-N 1 2 287.319 1.073 20 30 CDEDLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)ccc1C#N ZINC000235005699 165046548 /nfs/dbraw/zinc/04/65/48/165046548.db2.gz RBAWCAHTPXGXAQ-BXUZGUMPSA-N 1 2 276.336 1.148 20 30 CDEDLO COc1cc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)ccc1C#N ZINC000235005699 165046551 /nfs/dbraw/zinc/04/65/51/165046551.db2.gz RBAWCAHTPXGXAQ-BXUZGUMPSA-N 1 2 276.336 1.148 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001665597092 1173016833 /nfs/dbraw/zinc/01/68/33/1173016833.db2.gz JZWSXALTCHWYBH-HZPDHXFCSA-N 1 2 285.391 1.113 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001665597092 1173016840 /nfs/dbraw/zinc/01/68/40/1173016840.db2.gz JZWSXALTCHWYBH-HZPDHXFCSA-N 1 2 285.391 1.113 20 30 CDEDLO C=CCCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661092668 413785027 /nfs/dbraw/zinc/78/50/27/413785027.db2.gz XOEUFYCWIQWJLV-ZDUSSCGKSA-N 1 2 267.373 1.069 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]1c1nc(C)no1 ZINC000285606862 196341617 /nfs/dbraw/zinc/34/16/17/196341617.db2.gz KCNLGTPMWUZOIZ-ZDUSSCGKSA-N 1 2 292.383 1.940 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1c1nc(C)no1 ZINC000285606862 196341619 /nfs/dbraw/zinc/34/16/19/196341619.db2.gz KCNLGTPMWUZOIZ-ZDUSSCGKSA-N 1 2 292.383 1.940 20 30 CDEDLO C=CCCn1cc(C[NH2+]Cc2ccc(OC)c(O)c2)nn1 ZINC000657341135 414201862 /nfs/dbraw/zinc/20/18/62/414201862.db2.gz MTGKTLQAVCKQKV-UHFFFAOYSA-N 1 2 288.351 1.858 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@@H]1C(=O)OCC ZINC000071010328 176020759 /nfs/dbraw/zinc/02/07/59/176020759.db2.gz OCINOHSWKUEAJD-CQSZACIVSA-N 1 2 294.395 1.605 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@@H]1C(=O)OCC ZINC000071010328 176020760 /nfs/dbraw/zinc/02/07/60/176020760.db2.gz OCINOHSWKUEAJD-CQSZACIVSA-N 1 2 294.395 1.605 20 30 CDEDLO CC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2C)CC1 ZINC000077372629 177260066 /nfs/dbraw/zinc/26/00/66/177260066.db2.gz RBTJFNCVBHXCHB-UHFFFAOYSA-N 1 2 293.392 1.193 20 30 CDEDLO O=C(C[N@@H+]1CCO[C@]2(CCCOC2)C1)NC1CCOCC1 ZINC000329067471 227281381 /nfs/dbraw/zinc/28/13/81/227281381.db2.gz LXPSEUDDFSSFPN-OAHLLOKOSA-N 1 2 298.383 1.003 20 30 CDEDLO O=C(C[N@H+]1CCO[C@]2(CCCOC2)C1)NC1CCOCC1 ZINC000329067471 227281386 /nfs/dbraw/zinc/28/13/86/227281386.db2.gz LXPSEUDDFSSFPN-OAHLLOKOSA-N 1 2 298.383 1.003 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCC(C)(C)C#N)C1 ZINC000335982157 228174927 /nfs/dbraw/zinc/17/49/27/228174927.db2.gz QLQVDTOOFVXKBD-LLVKDONJSA-N 1 2 275.356 1.469 20 30 CDEDLO N#CC1CCC(CNC(=O)N2CCn3cc[nH+]c3C2)CC1 ZINC000333030999 228188040 /nfs/dbraw/zinc/18/80/40/228188040.db2.gz CFLLBWSGGFVELX-UHFFFAOYSA-N 1 2 287.367 1.738 20 30 CDEDLO Cc1cccc(NC(=O)[C@H](C)O[NH+]=C(N)CCO)c1C ZINC000121421553 260710416 /nfs/dbraw/zinc/71/04/16/260710416.db2.gz LUSDIQFSKYTUST-NSHDSACASA-N 1 2 279.340 1.302 20 30 CDEDLO Cc1cccc(C)c1CO[NH+]=C(N)CN1CCOCC1 ZINC000153710186 261081717 /nfs/dbraw/zinc/08/17/17/261081717.db2.gz WDZFSFVNGOCOSX-UHFFFAOYSA-N 1 2 277.368 1.424 20 30 CDEDLO C#CCN(CC)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000490657272 261178714 /nfs/dbraw/zinc/17/87/14/261178714.db2.gz SHRDPZLTKSWUEL-UHFFFAOYSA-N 1 2 296.330 1.293 20 30 CDEDLO C#CCNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000490831065 261219988 /nfs/dbraw/zinc/21/99/88/261219988.db2.gz QPARZTNWOCKCGF-RMKNXTFCSA-N 1 2 283.375 1.660 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCc2cc(OC)c(F)cc2C1 ZINC000490924160 261249030 /nfs/dbraw/zinc/24/90/30/261249030.db2.gz ODINPZIJAOVGHW-LLVKDONJSA-N 1 2 290.338 1.330 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCc2cc(OC)c(F)cc2C1 ZINC000490924160 261249032 /nfs/dbraw/zinc/24/90/32/261249032.db2.gz ODINPZIJAOVGHW-LLVKDONJSA-N 1 2 290.338 1.330 20 30 CDEDLO C=CCOCC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000361560947 261337253 /nfs/dbraw/zinc/33/72/53/261337253.db2.gz BRHUZSMRNDWHLR-ZDUSSCGKSA-N 1 2 277.368 1.404 20 30 CDEDLO COC[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1ccco1 ZINC000184540291 262022885 /nfs/dbraw/zinc/02/28/85/262022885.db2.gz FDZQVRJQHPRSLI-IUODEOHRSA-N 1 2 293.367 1.611 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)[C@@]2(CCCO2)[C@H]1C(C)C ZINC000491817407 262089510 /nfs/dbraw/zinc/08/95/10/262089510.db2.gz YOGLSXMODSORLG-GZBFAFLISA-N 1 2 264.369 1.313 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)[C@@]2(CCCO2)[C@H]1C(C)C ZINC000491817407 262089511 /nfs/dbraw/zinc/08/95/11/262089511.db2.gz YOGLSXMODSORLG-GZBFAFLISA-N 1 2 264.369 1.313 20 30 CDEDLO COCCN(C)c1ccc(C[N@@H+](C)[C@@H](C)CC#N)cn1 ZINC000191324740 262191363 /nfs/dbraw/zinc/19/13/63/262191363.db2.gz DTDCVMVUVLCCAH-ZDUSSCGKSA-N 1 2 276.384 1.898 20 30 CDEDLO COCCN(C)c1ccc(C[N@H+](C)[C@@H](C)CC#N)cn1 ZINC000191324740 262191362 /nfs/dbraw/zinc/19/13/62/262191362.db2.gz DTDCVMVUVLCCAH-ZDUSSCGKSA-N 1 2 276.384 1.898 20 30 CDEDLO N#Cc1cccc(/C=C\C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000217006920 262275046 /nfs/dbraw/zinc/27/50/46/262275046.db2.gz UYGFRCZBHAKTRC-PLNGDYQASA-N 1 2 252.277 1.611 20 30 CDEDLO CSc1ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000411306639 262688160 /nfs/dbraw/zinc/68/81/60/262688160.db2.gz GBCSLRLOLJJRSH-GFCCVEGCSA-N 1 2 280.393 1.994 20 30 CDEDLO CSc1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000411306639 262688161 /nfs/dbraw/zinc/68/81/61/262688161.db2.gz GBCSLRLOLJJRSH-GFCCVEGCSA-N 1 2 280.393 1.994 20 30 CDEDLO C=CCCCS(=O)(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000451949283 263013303 /nfs/dbraw/zinc/01/33/03/263013303.db2.gz XCVWNUADJMHHDD-QWRGUYRKSA-N 1 2 269.370 1.775 20 30 CDEDLO N#CCCC[N@@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000366621489 263077793 /nfs/dbraw/zinc/07/77/93/263077793.db2.gz TVZMUHDPIFPYEV-UHFFFAOYSA-N 1 2 267.336 1.929 20 30 CDEDLO N#CCCC[N@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000366621489 263077794 /nfs/dbraw/zinc/07/77/94/263077794.db2.gz TVZMUHDPIFPYEV-UHFFFAOYSA-N 1 2 267.336 1.929 20 30 CDEDLO Cc1ccc(C)c(NC(=O)CO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000283908476 263084702 /nfs/dbraw/zinc/08/47/02/263084702.db2.gz DLIVDYAXGDWKKS-ZDUSSCGKSA-N 1 2 291.351 1.710 20 30 CDEDLO C[C@@H]1COCC[C@H]1C/[NH+]=C/c1ccc(O)c(O)c1O ZINC000285240921 263091561 /nfs/dbraw/zinc/09/15/61/263091561.db2.gz GKTRIAVZHICWTK-ZSCZGBHHSA-N 1 2 265.309 1.895 20 30 CDEDLO Cn1nncc1CO[NH+]=C(N)c1cccc(C(F)(F)F)c1 ZINC000289415479 263110133 /nfs/dbraw/zinc/11/01/33/263110133.db2.gz PWRBYDYXSDISGL-UHFFFAOYSA-N 1 2 299.256 1.671 20 30 CDEDLO Cc1ccc(C(N)=[NH+]OCc2cnn(C)n2)cc1F ZINC000289468179 263110327 /nfs/dbraw/zinc/11/03/27/263110327.db2.gz WRUFUKUPADYLNW-UHFFFAOYSA-N 1 2 263.276 1.100 20 30 CDEDLO N#CCCCC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000290934253 263119089 /nfs/dbraw/zinc/11/90/89/263119089.db2.gz JQMBDZXQJMJAET-UHFFFAOYSA-N 1 2 272.352 1.420 20 30 CDEDLO C=CC[N@@H+](CCC#N)C[C@H](O)c1ccc(C#N)cc1 ZINC000292316727 263131029 /nfs/dbraw/zinc/13/10/29/263131029.db2.gz VQMGFWSIUNPVTI-HNNXBMFYSA-N 1 2 255.321 1.993 20 30 CDEDLO C=CC[N@H+](CCC#N)C[C@H](O)c1ccc(C#N)cc1 ZINC000292316727 263131030 /nfs/dbraw/zinc/13/10/30/263131030.db2.gz VQMGFWSIUNPVTI-HNNXBMFYSA-N 1 2 255.321 1.993 20 30 CDEDLO CC1(C)NC(=O)N(CCC[N@H+](CC#N)C2CCCC2)C1=O ZINC000156734332 263190779 /nfs/dbraw/zinc/19/07/79/263190779.db2.gz BAFNOZGEQBVKRR-UHFFFAOYSA-N 1 2 292.383 1.475 20 30 CDEDLO CC1(C)NC(=O)N(CCC[N@@H+](CC#N)C2CCCC2)C1=O ZINC000156734332 263190781 /nfs/dbraw/zinc/19/07/81/263190781.db2.gz BAFNOZGEQBVKRR-UHFFFAOYSA-N 1 2 292.383 1.475 20 30 CDEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)[C@@H](C)C#N ZINC000297884776 263211423 /nfs/dbraw/zinc/21/14/23/263211423.db2.gz PDRJIEZBLVGYEQ-QMMMGPOBSA-N 1 2 292.289 1.993 20 30 CDEDLO CCC[N@@H+](CC#N)CCC(=O)Nc1sccc1C(N)=O ZINC000299232674 263235503 /nfs/dbraw/zinc/23/55/03/263235503.db2.gz JMKJBBJNUPETNQ-UHFFFAOYSA-N 1 2 294.380 1.411 20 30 CDEDLO CCC[N@H+](CC#N)CCC(=O)Nc1sccc1C(N)=O ZINC000299232674 263235504 /nfs/dbraw/zinc/23/55/04/263235504.db2.gz JMKJBBJNUPETNQ-UHFFFAOYSA-N 1 2 294.380 1.411 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120175208 263285005 /nfs/dbraw/zinc/28/50/05/263285005.db2.gz LBSFHEKFERTCGD-SNVBAGLBSA-N 1 2 267.760 1.248 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120175208 263285007 /nfs/dbraw/zinc/28/50/07/263285007.db2.gz LBSFHEKFERTCGD-SNVBAGLBSA-N 1 2 267.760 1.248 20 30 CDEDLO C=CCCS(=O)(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000121598328 263295385 /nfs/dbraw/zinc/29/53/85/263295385.db2.gz HSAKMQCVEUGBHQ-STQMWFEESA-N 1 2 283.397 1.672 20 30 CDEDLO N#CC1(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CCC1 ZINC000121587817 263297445 /nfs/dbraw/zinc/29/74/45/263297445.db2.gz VQBATOLDCNDETR-CYBMUJFWSA-N 1 2 271.320 1.755 20 30 CDEDLO COc1ccccc1OCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000575234113 335085973 /nfs/dbraw/zinc/08/59/73/335085973.db2.gz RUHKNODQRPXAHR-OAHLLOKOSA-N 1 2 291.351 1.034 20 30 CDEDLO N#C[C@@H]1CN(Cc2[nH+]ccn2CC(F)(F)F)CCO1 ZINC000330366102 263914889 /nfs/dbraw/zinc/91/48/89/263914889.db2.gz XBKFLSBQOOSXQT-SECBINFHSA-N 1 2 274.246 1.170 20 30 CDEDLO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccoc1 ZINC000330937616 264081832 /nfs/dbraw/zinc/08/18/32/264081832.db2.gz ARNCAWUFKFFYMZ-JTQLQIEISA-N 1 2 267.329 1.539 20 30 CDEDLO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccoc1 ZINC000330937616 264081834 /nfs/dbraw/zinc/08/18/34/264081834.db2.gz ARNCAWUFKFFYMZ-JTQLQIEISA-N 1 2 267.329 1.539 20 30 CDEDLO CC1(O)CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000330952863 264086624 /nfs/dbraw/zinc/08/66/24/264086624.db2.gz FSQZBLJODBWLCG-UHFFFAOYSA-N 1 2 266.345 1.034 20 30 CDEDLO CC1(O)CCN(C([O-])=[NH+]CCCn2cc[nH+]c2)CC1 ZINC000330952863 264086627 /nfs/dbraw/zinc/08/66/27/264086627.db2.gz FSQZBLJODBWLCG-UHFFFAOYSA-N 1 2 266.345 1.034 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1nc(C)c(C)nc1C ZINC000330972360 264092561 /nfs/dbraw/zinc/09/25/61/264092561.db2.gz FSSLHRHVIFUOJU-UHFFFAOYSA-N 1 2 259.313 1.938 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000331150887 264139408 /nfs/dbraw/zinc/13/94/08/264139408.db2.gz ZSIKIQHEHQOHNI-STQMWFEESA-N 1 2 281.400 1.494 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000331150887 264139409 /nfs/dbraw/zinc/13/94/09/264139409.db2.gz ZSIKIQHEHQOHNI-STQMWFEESA-N 1 2 281.400 1.494 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCSCC1)[NH+]1CCSCC1 ZINC000162606983 264326756 /nfs/dbraw/zinc/32/67/56/264326756.db2.gz XCFCDMBNPNENES-LLVKDONJSA-N 1 2 299.465 1.329 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)nn1 ZINC000653692401 424437407 /nfs/dbraw/zinc/43/74/07/424437407.db2.gz NGJGIUKZFVWFEJ-NSHDSACASA-N 1 2 286.326 1.304 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)nn1 ZINC000653692401 424437417 /nfs/dbraw/zinc/43/74/17/424437417.db2.gz NGJGIUKZFVWFEJ-NSHDSACASA-N 1 2 286.326 1.304 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000362798577 267047379 /nfs/dbraw/zinc/04/73/79/267047379.db2.gz QZVRWHGAYUVUHF-DZGCQCFKSA-N 1 2 289.379 1.745 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368975242 267215071 /nfs/dbraw/zinc/21/50/71/267215071.db2.gz QDXCJHGAXMKIPI-MROQNXINSA-N 1 2 260.341 1.016 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368975242 267215076 /nfs/dbraw/zinc/21/50/76/267215076.db2.gz QDXCJHGAXMKIPI-MROQNXINSA-N 1 2 260.341 1.016 20 30 CDEDLO C[C@H]1OCC[C@]12C[N@H+](C[C@H](C#N)CCC#N)C[C@@H](C)O2 ZINC000369301107 267233302 /nfs/dbraw/zinc/23/33/02/267233302.db2.gz AFVLEYOBLWAYJZ-KBXIAJHMSA-N 1 2 277.368 1.698 20 30 CDEDLO C[C@H]1OCC[C@]12C[N@@H+](C[C@H](C#N)CCC#N)C[C@@H](C)O2 ZINC000369301107 267233307 /nfs/dbraw/zinc/23/33/07/267233307.db2.gz AFVLEYOBLWAYJZ-KBXIAJHMSA-N 1 2 277.368 1.698 20 30 CDEDLO C[C@@H]1OCC[C@@]12C[N@H+](C[C@H](C#N)CCC#N)CCO2 ZINC000369398467 267240628 /nfs/dbraw/zinc/24/06/28/267240628.db2.gz NUFMSQVLNCREBV-MELADBBJSA-N 1 2 263.341 1.310 20 30 CDEDLO C[C@@H]1OCC[C@@]12C[N@@H+](C[C@H](C#N)CCC#N)CCO2 ZINC000369398467 267240631 /nfs/dbraw/zinc/24/06/31/267240631.db2.gz NUFMSQVLNCREBV-MELADBBJSA-N 1 2 263.341 1.310 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000518384054 267283089 /nfs/dbraw/zinc/28/30/89/267283089.db2.gz VJRAWTLYGMLQEE-CQSZACIVSA-N 1 2 290.754 1.785 20 30 CDEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)C(C)(C)C(C)C)c1C#N ZINC000525893115 267348388 /nfs/dbraw/zinc/34/83/88/267348388.db2.gz BWCRFOQYUJSFOX-UHFFFAOYSA-N 1 2 291.399 1.476 20 30 CDEDLO N#Cc1cnc(N2CC(n3cc[nH+]c3)C2)c(Cl)c1 ZINC000531579225 268312356 /nfs/dbraw/zinc/31/23/56/268312356.db2.gz IGHZNJXRUIZZFA-UHFFFAOYSA-N 1 2 259.700 1.864 20 30 CDEDLO CC(C)[C@H]1CN(C)CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191468715 270291029 /nfs/dbraw/zinc/29/10/29/270291029.db2.gz NNCUMPCKIBESEX-OAHLLOKOSA-N 1 2 260.385 1.669 20 30 CDEDLO CC(C)[C@H]1CN(C)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191468715 270291031 /nfs/dbraw/zinc/29/10/31/270291031.db2.gz NNCUMPCKIBESEX-OAHLLOKOSA-N 1 2 260.385 1.669 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000223151010 280094984 /nfs/dbraw/zinc/09/49/84/280094984.db2.gz RTOBFXCLMNFQIN-TZMCWYRMSA-N 1 2 276.336 1.019 20 30 CDEDLO C[C@@H]1COCC[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000223151010 280094987 /nfs/dbraw/zinc/09/49/87/280094987.db2.gz RTOBFXCLMNFQIN-TZMCWYRMSA-N 1 2 276.336 1.019 20 30 CDEDLO CC1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC[C@H]1O ZINC000329750472 281145932 /nfs/dbraw/zinc/14/59/32/281145932.db2.gz VAFIGXKUUOLVQF-ZWNOBZJWSA-N 1 2 292.383 1.274 20 30 CDEDLO CC1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC[C@H]1O ZINC000329750472 281145933 /nfs/dbraw/zinc/14/59/33/281145933.db2.gz VAFIGXKUUOLVQF-ZWNOBZJWSA-N 1 2 292.383 1.274 20 30 CDEDLO C[C@@H]1OCC[C@]1(C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329755980 288914784 /nfs/dbraw/zinc/91/47/84/288914784.db2.gz LYFZQKXYKUPXEH-MJVIPROJSA-N 1 2 263.341 1.970 20 30 CDEDLO C[C@@H]1[C@H](NS(=O)(=O)c2ccc(C#N)s2)CCC[N@@H+]1C ZINC000435436005 289060399 /nfs/dbraw/zinc/06/03/99/289060399.db2.gz CZHONRNCGPDISD-MWLCHTKSSA-N 1 2 299.421 1.381 20 30 CDEDLO C[C@@H]1[C@H](NS(=O)(=O)c2ccc(C#N)s2)CCC[N@H+]1C ZINC000435436005 289060402 /nfs/dbraw/zinc/06/04/02/289060402.db2.gz CZHONRNCGPDISD-MWLCHTKSSA-N 1 2 299.421 1.381 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)cc1Cl ZINC000562933883 293219826 /nfs/dbraw/zinc/21/98/26/293219826.db2.gz YHQSFXHYOAAIAG-UHFFFAOYSA-N 1 2 282.712 1.736 20 30 CDEDLO Cc1cc(N2CC[C@@H](Oc3ccc(C#N)cn3)C2)nc[nH+]1 ZINC000568826232 294105346 /nfs/dbraw/zinc/10/53/46/294105346.db2.gz GWFVJIAEGLWOKC-CYBMUJFWSA-N 1 2 281.319 1.709 20 30 CDEDLO C[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CCS1 ZINC000115542011 297073478 /nfs/dbraw/zinc/07/34/78/297073478.db2.gz HEWUCWGBWQNLGH-MFKMUULPSA-N 1 2 275.377 1.522 20 30 CDEDLO C[C@@H]1C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CCS1 ZINC000115542011 297073479 /nfs/dbraw/zinc/07/34/79/297073479.db2.gz HEWUCWGBWQNLGH-MFKMUULPSA-N 1 2 275.377 1.522 20 30 CDEDLO N#Cc1nccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000571105400 294370573 /nfs/dbraw/zinc/37/05/73/294370573.db2.gz DQOKIGJDRQHAEN-GFCCVEGCSA-N 1 2 267.292 1.401 20 30 CDEDLO C[C@H](C(=O)N1CCCC(C)(C)[C@@H]1C#N)[NH+]1CCSCC1 ZINC000336143274 298011583 /nfs/dbraw/zinc/01/15/83/298011583.db2.gz VNWNEGAHTJSIKQ-OLZOCXBDSA-N 1 2 295.452 1.964 20 30 CDEDLO N#Cc1nccc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000563426556 316306975 /nfs/dbraw/zinc/30/69/75/316306975.db2.gz NBISHAMCOASYLJ-SNVBAGLBSA-N 1 2 254.297 1.803 20 30 CDEDLO C[C@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC2(CCC2)O1 ZINC000577060515 317257435 /nfs/dbraw/zinc/25/74/35/317257435.db2.gz MSDXCTFUABMAFI-WFASDCNBSA-N 1 2 299.374 1.728 20 30 CDEDLO C[C@H]1C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC2(CCC2)O1 ZINC000577060515 317257438 /nfs/dbraw/zinc/25/74/38/317257438.db2.gz MSDXCTFUABMAFI-WFASDCNBSA-N 1 2 299.374 1.728 20 30 CDEDLO N#CCCCCNc1[nH+]cnc(-n2cccn2)c1N ZINC000269600184 328190967 /nfs/dbraw/zinc/19/09/67/328190967.db2.gz HKURGUAMVJOOBG-UHFFFAOYSA-N 1 2 257.301 1.350 20 30 CDEDLO N#C[C@@]1(NC(=O)CCn2cc[nH+]c2)CCc2ccccc2C1 ZINC000274481312 328211688 /nfs/dbraw/zinc/21/16/88/328211688.db2.gz OTXXGYONIDSFMI-QGZVFWFLSA-N 1 2 294.358 1.841 20 30 CDEDLO Cc1cc(NC(=O)C[N@@H+](C)[C@H](C)CCC#N)no1 ZINC000276353988 328217788 /nfs/dbraw/zinc/21/77/88/328217788.db2.gz WYDNIWMWJYSBCL-SECBINFHSA-N 1 2 250.302 1.546 20 30 CDEDLO Cc1cc(NC(=O)C[N@H+](C)[C@H](C)CCC#N)no1 ZINC000276353988 328217790 /nfs/dbraw/zinc/21/77/90/328217790.db2.gz WYDNIWMWJYSBCL-SECBINFHSA-N 1 2 250.302 1.546 20 30 CDEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(C(=O)c3ccccc3O)CC2)C1 ZINC000278620825 328228713 /nfs/dbraw/zinc/22/87/13/328228713.db2.gz NFGZFAAJFMKNQQ-UONOGXRCSA-N 1 2 299.374 1.842 20 30 CDEDLO NC(=[NH+]OCc1cc(F)ccc1F)[C@@H]1CCCO1 ZINC000284612858 328246536 /nfs/dbraw/zinc/24/65/36/328246536.db2.gz ZCFKSLYMPKXPEU-NSHDSACASA-N 1 2 256.252 1.933 20 30 CDEDLO C=CC[N@@H+](CCC#N)Cc1ccc(C(=O)NC)cc1 ZINC000292222619 328268732 /nfs/dbraw/zinc/26/87/32/328268732.db2.gz PCDVNRBZUDYXQN-UHFFFAOYSA-N 1 2 257.337 1.948 20 30 CDEDLO C=CC[N@H+](CCC#N)Cc1ccc(C(=O)NC)cc1 ZINC000292222619 328268734 /nfs/dbraw/zinc/26/87/34/328268734.db2.gz PCDVNRBZUDYXQN-UHFFFAOYSA-N 1 2 257.337 1.948 20 30 CDEDLO C=C(C)CN(C)C(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000340512659 328287108 /nfs/dbraw/zinc/28/71/08/328287108.db2.gz NIIAJZAHRXMSBZ-UHFFFAOYSA-N 1 2 290.367 1.034 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000535259754 328398769 /nfs/dbraw/zinc/39/87/69/328398769.db2.gz FBCOMFBMAKPAHD-LLVKDONJSA-N 1 2 263.366 1.552 20 30 CDEDLO COC(=O)c1cccc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c1C#N ZINC000582825584 325050364 /nfs/dbraw/zinc/05/03/64/325050364.db2.gz UDKGEIYKKUJZNO-CQSZACIVSA-N 1 2 288.347 1.548 20 30 CDEDLO COC(=O)c1cccc(C[N@H+]2C[C@@H](O)C(C)(C)C2)c1C#N ZINC000582825584 325050369 /nfs/dbraw/zinc/05/03/69/325050369.db2.gz UDKGEIYKKUJZNO-CQSZACIVSA-N 1 2 288.347 1.548 20 30 CDEDLO Cc1nc2n(n1)C[C@@H](Nc1cc(C)[nH+]cc1C#N)CC2 ZINC000583496031 325186992 /nfs/dbraw/zinc/18/69/92/325186992.db2.gz VZRNQHWRBNBGSJ-LBPRGKRZSA-N 1 2 268.324 1.010 20 30 CDEDLO CCn1nc(C(C)C)cc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000569489663 327184896 /nfs/dbraw/zinc/18/48/96/327184896.db2.gz NIGVKWOCVPRSJD-HNNXBMFYSA-N 1 2 291.399 1.600 20 30 CDEDLO CN(C)c1[nH+]cc(CNC[C@@H](C#N)CCC#N)n1C ZINC000583435807 327362401 /nfs/dbraw/zinc/36/24/01/327362401.db2.gz FOVQKCJIQLZQTA-LLVKDONJSA-N 1 2 260.345 1.019 20 30 CDEDLO CN(C)c1ncc(C[NH2+]C[C@@H](C#N)CCC#N)n1C ZINC000583435807 327362403 /nfs/dbraw/zinc/36/24/03/327362403.db2.gz FOVQKCJIQLZQTA-LLVKDONJSA-N 1 2 260.345 1.019 20 30 CDEDLO N#CCC[C@H](C#N)C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000520230082 328717072 /nfs/dbraw/zinc/71/70/72/328717072.db2.gz APEVDBDNDJVUKC-BXUZGUMPSA-N 1 2 261.300 1.892 20 30 CDEDLO COc1ccccc1[C@H](CO)[NH2+]C[C@H](C#N)CCC#N ZINC000583630964 328722791 /nfs/dbraw/zinc/72/27/91/328722791.db2.gz CCYCRJGHIOBUED-JSGCOSHPSA-N 1 2 273.336 1.762 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(CC#N)ccn1 ZINC000583033986 329305637 /nfs/dbraw/zinc/30/56/37/329305637.db2.gz KVCKGDZTCLINGX-SNVBAGLBSA-N 1 2 269.308 1.688 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cc(CC#N)ccn1 ZINC000583033986 329305639 /nfs/dbraw/zinc/30/56/39/329305639.db2.gz KVCKGDZTCLINGX-SNVBAGLBSA-N 1 2 269.308 1.688 20 30 CDEDLO C[C@@H]1C(=O)CC[C@H]1CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000527245686 330241584 /nfs/dbraw/zinc/24/15/84/330241584.db2.gz KZPUWEYVIFDHHW-RYUDHWBXSA-N 1 2 277.368 1.096 20 30 CDEDLO COc1ccc(C[NH+]2CCN(CC#N)CC2)c(OC)c1 ZINC000092936056 330414947 /nfs/dbraw/zinc/41/49/47/330414947.db2.gz FTIAYOMZZINUJY-UHFFFAOYSA-N 1 2 275.352 1.345 20 30 CDEDLO C[C@@H](NC(=O)NCC1(CC#N)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000430583315 330569403 /nfs/dbraw/zinc/56/94/03/330569403.db2.gz XSAWSCGRIIZLHX-CHWSQXEVSA-N 1 2 294.399 1.089 20 30 CDEDLO N#CC1CC[NH+](CC(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000195316253 331169002 /nfs/dbraw/zinc/16/90/02/331169002.db2.gz UNVXDLOEBVKFNE-UHFFFAOYSA-N 1 2 298.346 1.207 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458625718 331254559 /nfs/dbraw/zinc/25/45/59/331254559.db2.gz TXFXYVPNJIBEJW-SOUVJXGZSA-N 1 2 295.427 1.894 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458625718 331254560 /nfs/dbraw/zinc/25/45/60/331254560.db2.gz TXFXYVPNJIBEJW-SOUVJXGZSA-N 1 2 295.427 1.894 20 30 CDEDLO C=C(CC)CNC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000459072838 331269239 /nfs/dbraw/zinc/26/92/39/331269239.db2.gz INXAXXVFHNBQQW-HNNXBMFYSA-N 1 2 294.443 1.374 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C(=O)OC)C1(OC)CCC1 ZINC000459500904 331285105 /nfs/dbraw/zinc/28/51/05/331285105.db2.gz DNTQGSXPTNWUAX-WOPDTQHZSA-N 1 2 269.341 1.030 20 30 CDEDLO N#CCCCC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000488552991 332017091 /nfs/dbraw/zinc/01/70/91/332017091.db2.gz WLARAOMQQCWHSU-AWEZNQCLSA-N 1 2 275.327 1.992 20 30 CDEDLO CCc1ccc([C@H](C#N)NC(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000489970634 332075237 /nfs/dbraw/zinc/07/52/37/332075237.db2.gz YYDIUUUGQUONPN-GJZGRUSLSA-N 1 2 287.363 1.260 20 30 CDEDLO CCc1ccc([C@H](C#N)NC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000489970634 332075239 /nfs/dbraw/zinc/07/52/39/332075239.db2.gz YYDIUUUGQUONPN-GJZGRUSLSA-N 1 2 287.363 1.260 20 30 CDEDLO C#C[C@H](CC)NC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000490720445 332108931 /nfs/dbraw/zinc/10/89/31/332108931.db2.gz RPWQFXFKJCTXQG-OLZOCXBDSA-N 1 2 289.383 1.210 20 30 CDEDLO C#CC[NH+]1CCN(c2ncncc2-c2ccccc2)CC1 ZINC000490925660 332130176 /nfs/dbraw/zinc/13/01/76/332130176.db2.gz XCQROHPPSHOUIM-UHFFFAOYSA-N 1 2 278.359 1.899 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CCC(C)C)n2C)CC1 ZINC000491191291 332162697 /nfs/dbraw/zinc/16/26/97/332162697.db2.gz BYKCFDZDOWUDJE-UHFFFAOYSA-N 1 2 275.400 1.159 20 30 CDEDLO C#CC[N@@H+](Cc1nc(CC(=O)NC)no1)C1CCCCC1 ZINC000491241292 332172524 /nfs/dbraw/zinc/17/25/24/332172524.db2.gz IDZYHSVDBBYTAD-UHFFFAOYSA-N 1 2 290.367 1.126 20 30 CDEDLO C#CC[N@H+](Cc1nc(CC(=O)NC)no1)C1CCCCC1 ZINC000491241292 332172525 /nfs/dbraw/zinc/17/25/25/332172525.db2.gz IDZYHSVDBBYTAD-UHFFFAOYSA-N 1 2 290.367 1.126 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)CC[C@@H](CC(C)C)C1=O ZINC000491523265 332228758 /nfs/dbraw/zinc/22/87/58/332228758.db2.gz CQBMVZKOCUCXGP-STQMWFEESA-N 1 2 264.369 1.709 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)CC[C@@H](CC(C)C)C1=O ZINC000491523265 332228760 /nfs/dbraw/zinc/22/87/60/332228760.db2.gz CQBMVZKOCUCXGP-STQMWFEESA-N 1 2 264.369 1.709 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000491664751 332273723 /nfs/dbraw/zinc/27/37/23/332273723.db2.gz JVHYBOXHGSCOHR-LLVKDONJSA-N 1 2 273.336 1.537 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000491664751 332273725 /nfs/dbraw/zinc/27/37/25/332273725.db2.gz JVHYBOXHGSCOHR-LLVKDONJSA-N 1 2 273.336 1.537 20 30 CDEDLO C#CC[NH+]1CCN(c2ncnc3scc(C)c32)CC1 ZINC000491665631 332274240 /nfs/dbraw/zinc/27/42/40/332274240.db2.gz UWKOETCOZPHNQR-UHFFFAOYSA-N 1 2 272.377 1.755 20 30 CDEDLO C#CCN(CC#CC)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000491678718 332283195 /nfs/dbraw/zinc/28/31/95/332283195.db2.gz CDUQQDHJYFXXRE-CYBMUJFWSA-N 1 2 272.352 1.632 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@](C)(C2CCCCC2)C1=O ZINC000491788312 332350701 /nfs/dbraw/zinc/35/07/01/332350701.db2.gz XNYTYBRURZXDGA-MLGOLLRUSA-N 1 2 291.395 1.788 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@](C)(C2CCCCC2)C1=O ZINC000491788312 332350702 /nfs/dbraw/zinc/35/07/02/332350702.db2.gz XNYTYBRURZXDGA-MLGOLLRUSA-N 1 2 291.395 1.788 20 30 CDEDLO C#CC[C@H](CC(F)(F)F)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493231488 332431674 /nfs/dbraw/zinc/43/16/74/332431674.db2.gz WAPMBMBFFVDFSB-XNPJLODASA-N 1 2 271.242 1.883 20 30 CDEDLO N#CCC[N@@H+](CC(=O)NC1(C#N)CCCCC1)CC1CC1 ZINC000081044628 334177146 /nfs/dbraw/zinc/17/71/46/334177146.db2.gz IKNMCMABJKRCDS-UHFFFAOYSA-N 1 2 288.395 1.955 20 30 CDEDLO N#CCC[N@H+](CC(=O)NC1(C#N)CCCCC1)CC1CC1 ZINC000081044628 334177147 /nfs/dbraw/zinc/17/71/47/334177147.db2.gz IKNMCMABJKRCDS-UHFFFAOYSA-N 1 2 288.395 1.955 20 30 CDEDLO O[C@@H](C[NH2+]CC(F)(F)C(F)F)CC(F)(F)F ZINC000307943536 1159230580 /nfs/dbraw/zinc/23/05/80/1159230580.db2.gz SNFUYGASCMFPPA-SCSAIBSYSA-N 1 2 257.149 1.790 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000159044186 334818844 /nfs/dbraw/zinc/81/88/44/334818844.db2.gz NKNPDFYYPHOPQI-UHFFFAOYSA-N 1 2 278.302 1.746 20 30 CDEDLO Cc1nc2cccc(C(=O)NC3(C#N)CC[NH+](C)CC3)c2[nH]1 ZINC000576413573 335201456 /nfs/dbraw/zinc/20/14/56/335201456.db2.gz BZBPGIXQPILMTC-UHFFFAOYSA-N 1 2 297.362 1.589 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH2+][C@H]1CC(=O)N(c2ccccc2)C1 ZINC000577134506 335306392 /nfs/dbraw/zinc/30/63/92/335306392.db2.gz VWGGLDKXYWCWEH-KBPBESRZSA-N 1 2 282.347 1.825 20 30 CDEDLO CSc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccn1 ZINC000578512205 335643346 /nfs/dbraw/zinc/64/33/46/335643346.db2.gz QQWSUBZVIDDYFW-ZDUSSCGKSA-N 1 2 278.381 1.377 20 30 CDEDLO Cc1csc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000581195557 336023130 /nfs/dbraw/zinc/02/31/30/336023130.db2.gz PMBPQZZGBAPKIU-LBPRGKRZSA-N 1 2 251.355 1.630 20 30 CDEDLO N#CCC[NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000581483860 336087047 /nfs/dbraw/zinc/08/70/47/336087047.db2.gz KIBTZZQJEZTTOU-SECBINFHSA-N 1 2 265.263 1.573 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCCNc1cccc[nH+]1 ZINC000653124553 482420183 /nfs/dbraw/zinc/42/01/83/482420183.db2.gz XWBMHSJYJIDOME-NEPJUHHUSA-N 1 2 276.340 1.136 20 30 CDEDLO COCC#CC[NH+]1CCN(c2ccccc2OC)CC1 ZINC000677132647 482468747 /nfs/dbraw/zinc/46/87/47/482468747.db2.gz LFOXAPXHENPSIS-UHFFFAOYSA-N 1 2 274.364 1.467 20 30 CDEDLO C=CC[N@@H+](Cc1nc(N)nc(N(C)C)n1)C(C)(C)C ZINC000661759515 482486222 /nfs/dbraw/zinc/48/62/22/482486222.db2.gz IBTYSRPQYCCRIM-UHFFFAOYSA-N 1 2 264.377 1.306 20 30 CDEDLO C=CC[N@H+](Cc1nc(N)nc(N(C)C)n1)C(C)(C)C ZINC000661759515 482486225 /nfs/dbraw/zinc/48/62/25/482486225.db2.gz IBTYSRPQYCCRIM-UHFFFAOYSA-N 1 2 264.377 1.306 20 30 CDEDLO C=CCCOCCNC(=O)CCCn1cc[nH+]c1 ZINC000677466569 482676505 /nfs/dbraw/zinc/67/65/05/482676505.db2.gz GTEPMQULPPWHEE-UHFFFAOYSA-N 1 2 251.330 1.372 20 30 CDEDLO COCC#CC[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000677820056 482795715 /nfs/dbraw/zinc/79/57/15/482795715.db2.gz WHFVORYAWOMWKO-QGZVFWFLSA-N 1 2 271.360 1.810 20 30 CDEDLO COCC#CC[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000677820056 482795720 /nfs/dbraw/zinc/79/57/20/482795720.db2.gz WHFVORYAWOMWKO-QGZVFWFLSA-N 1 2 271.360 1.810 20 30 CDEDLO COCC#CC[N@H+](C)Cc1c(C)nc2sccn12 ZINC000677818897 482795829 /nfs/dbraw/zinc/79/58/29/482795829.db2.gz KXTDNTNGXQRMQK-UHFFFAOYSA-N 1 2 263.366 1.786 20 30 CDEDLO COCC#CC[N@@H+](C)Cc1c(C)nc2sccn12 ZINC000677818897 482795834 /nfs/dbraw/zinc/79/58/34/482795834.db2.gz KXTDNTNGXQRMQK-UHFFFAOYSA-N 1 2 263.366 1.786 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000684783140 482964238 /nfs/dbraw/zinc/96/42/38/482964238.db2.gz TZHLXDSMGNYFOD-DZGCQCFKSA-N 1 2 277.368 1.761 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C(F)=C3CCCC3)[C@H]2C1 ZINC001083049571 1161582657 /nfs/dbraw/zinc/58/26/57/1161582657.db2.gz XQFAZMCJWYMOFH-UONOGXRCSA-N 1 2 292.354 1.329 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C(F)=C3CCCC3)[C@H]2C1 ZINC001083049571 1161582664 /nfs/dbraw/zinc/58/26/64/1161582664.db2.gz XQFAZMCJWYMOFH-UONOGXRCSA-N 1 2 292.354 1.329 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](Nc2cccc(CC#N)c2F)C[NH2+]1 ZINC001169131282 1161999550 /nfs/dbraw/zinc/99/95/50/1161999550.db2.gz XUXVLMULAQKRFJ-PWSUYJOCSA-N 1 2 277.299 1.207 20 30 CDEDLO C=CC[C@@](C)([NH2+][C@H]1CC[C@@H](C(=O)OCC)OC1)C(=O)OC ZINC001169368442 1162005422 /nfs/dbraw/zinc/00/54/22/1162005422.db2.gz STQZBAMNPFYODT-SLEUVZQESA-N 1 2 299.367 1.195 20 30 CDEDLO C[C@]1(O)CCCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000329062835 534183317 /nfs/dbraw/zinc/18/33/17/534183317.db2.gz OBBVTYOXHQHVDD-WFASDCNBSA-N 1 2 292.383 1.521 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)C=C ZINC001754970000 1185773384 /nfs/dbraw/zinc/77/33/84/1185773384.db2.gz LJUFGSXCSRTAOH-ZDUSSCGKSA-N 1 2 266.385 1.592 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)C=C ZINC001754970000 1185773388 /nfs/dbraw/zinc/77/33/88/1185773388.db2.gz LJUFGSXCSRTAOH-ZDUSSCGKSA-N 1 2 266.385 1.592 20 30 CDEDLO C[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)[C@H](C)CO1 ZINC000329298749 534273141 /nfs/dbraw/zinc/27/31/41/534273141.db2.gz UTUDWBZVPOLUEY-UPJWGTAASA-N 1 2 292.383 1.784 20 30 CDEDLO C=C1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000264466127 517318612 /nfs/dbraw/zinc/31/86/12/517318612.db2.gz LTKSBRLUSUGBNP-UHFFFAOYSA-N 1 2 275.308 1.846 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](CCC(C)C)NC(C)=O)CC1 ZINC001113745026 1162272462 /nfs/dbraw/zinc/27/24/62/1162272462.db2.gz UJYZATGHXDXVAK-HNNXBMFYSA-N 1 2 295.427 1.258 20 30 CDEDLO [O-]C(NC1CCSCC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330181146 534749962 /nfs/dbraw/zinc/74/99/62/534749962.db2.gz GLCKSXXJECCXHN-LLVKDONJSA-N 1 2 280.397 1.597 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C1CCSCC1 ZINC000330181146 534749964 /nfs/dbraw/zinc/74/99/64/534749964.db2.gz GLCKSXXJECCXHN-LLVKDONJSA-N 1 2 280.397 1.597 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](C)OC[C@H]1CC ZINC000268528233 534821758 /nfs/dbraw/zinc/82/17/58/534821758.db2.gz DAFBNRMXNYKLHE-UONOGXRCSA-N 1 2 266.385 1.686 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](C)OC[C@H]1CC ZINC000268528233 534821763 /nfs/dbraw/zinc/82/17/63/534821763.db2.gz DAFBNRMXNYKLHE-UONOGXRCSA-N 1 2 266.385 1.686 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](C)OC[C@@H]1CC ZINC000268528230 534822636 /nfs/dbraw/zinc/82/26/36/534822636.db2.gz DAFBNRMXNYKLHE-KBPBESRZSA-N 1 2 266.385 1.686 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](C)OC[C@@H]1CC ZINC000268528230 534822637 /nfs/dbraw/zinc/82/26/37/534822637.db2.gz DAFBNRMXNYKLHE-KBPBESRZSA-N 1 2 266.385 1.686 20 30 CDEDLO N#Cc1cc(C[NH+]2CCN(c3ncccn3)CC2)ccn1 ZINC000068765482 526550503 /nfs/dbraw/zinc/55/05/03/526550503.db2.gz QOLUTJMMNUXMTG-UHFFFAOYSA-N 1 2 280.335 1.065 20 30 CDEDLO N#Cc1ccnc(NCc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC000339966523 526761406 /nfs/dbraw/zinc/76/14/06/526761406.db2.gz CUGBYVZFBXVFCK-UHFFFAOYSA-N 1 2 295.346 1.797 20 30 CDEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nnnn1CC1CCOCC1 ZINC000330196447 527457809 /nfs/dbraw/zinc/45/78/09/527457809.db2.gz QGKVCBVTAOZWEE-CQSZACIVSA-N 1 2 291.399 1.640 20 30 CDEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nnnn1CC1CCOCC1 ZINC000330196447 527457811 /nfs/dbraw/zinc/45/78/11/527457811.db2.gz QGKVCBVTAOZWEE-CQSZACIVSA-N 1 2 291.399 1.640 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CCC[C@H]2C2CC2)c1=S ZINC000728561120 574638022 /nfs/dbraw/zinc/63/80/22/574638022.db2.gz ZJWOFZUNBUUFDG-NSHDSACASA-N 1 2 265.386 1.827 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CCC[C@H]2C2CC2)c1=S ZINC000728561120 574638024 /nfs/dbraw/zinc/63/80/24/574638024.db2.gz ZJWOFZUNBUUFDG-NSHDSACASA-N 1 2 265.386 1.827 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C)cc1O ZINC000730104805 574850235 /nfs/dbraw/zinc/85/02/35/574850235.db2.gz YLAUNWKWOMXICH-ZDUSSCGKSA-N 1 2 258.321 1.737 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C)cc1O ZINC000730104805 574850238 /nfs/dbraw/zinc/85/02/38/574850238.db2.gz YLAUNWKWOMXICH-ZDUSSCGKSA-N 1 2 258.321 1.737 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc2ccccc2[nH]1 ZINC000730104687 574850443 /nfs/dbraw/zinc/85/04/43/574850443.db2.gz VIHYNVKJVXDJAI-ZDUSSCGKSA-N 1 2 268.320 1.599 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc2ccccc2[nH]1 ZINC000730104687 574850444 /nfs/dbraw/zinc/85/04/44/574850444.db2.gz VIHYNVKJVXDJAI-ZDUSSCGKSA-N 1 2 268.320 1.599 20 30 CDEDLO C#CC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000753967702 574985964 /nfs/dbraw/zinc/98/59/64/574985964.db2.gz GMZTULBGZCQUDS-HNNXBMFYSA-N 1 2 272.348 1.118 20 30 CDEDLO C(=NNc1ccc(-n2cc[nH+]c2)nn1)c1cncs1 ZINC000761844957 574989767 /nfs/dbraw/zinc/98/97/67/574989767.db2.gz DPSRELDGVCBDAA-UHFFFAOYSA-N 1 2 271.309 1.565 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C\c1ccccc1C#N ZINC000732095078 575079598 /nfs/dbraw/zinc/07/95/98/575079598.db2.gz UHTBWLDYOPVJEG-SREVYHEPSA-N 1 2 266.304 1.953 20 30 CDEDLO C[C@H](C#N)C(=O)NCc1ccc[nH+]c1N1CCCCC1 ZINC000733892270 575144533 /nfs/dbraw/zinc/14/45/33/575144533.db2.gz CUCNXJKNUDFGEF-GFCCVEGCSA-N 1 2 272.352 1.848 20 30 CDEDLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1ncc(C#N)s1 ZINC000759626712 576412475 /nfs/dbraw/zinc/41/24/75/576412475.db2.gz LHNZNTBMXLYNAJ-VIFPVBQESA-N 1 2 250.327 1.438 20 30 CDEDLO C[N@H+]1CCCC[C@H]1C(=O)Nc1ncc(C#N)s1 ZINC000759626712 576412477 /nfs/dbraw/zinc/41/24/77/576412477.db2.gz LHNZNTBMXLYNAJ-VIFPVBQESA-N 1 2 250.327 1.438 20 30 CDEDLO C=CCN(C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)C1CC1 ZINC000772454146 575705556 /nfs/dbraw/zinc/70/55/56/575705556.db2.gz RMFZBXRDWNAZGF-LBPRGKRZSA-N 1 2 267.373 1.067 20 30 CDEDLO C=CCN(C(=O)NCC[N@H+]1CCO[C@@H](C)C1)C1CC1 ZINC000772454146 575705559 /nfs/dbraw/zinc/70/55/59/575705559.db2.gz RMFZBXRDWNAZGF-LBPRGKRZSA-N 1 2 267.373 1.067 20 30 CDEDLO N#CC[N@@H+](CCCN1CCOC1=O)C1CCCC1 ZINC000738330162 576059727 /nfs/dbraw/zinc/05/97/27/576059727.db2.gz SGNBFIXEPAULTB-UHFFFAOYSA-N 1 2 251.330 1.597 20 30 CDEDLO N#CC[N@H+](CCCN1CCOC1=O)C1CCCC1 ZINC000738330162 576059730 /nfs/dbraw/zinc/05/97/30/576059730.db2.gz SGNBFIXEPAULTB-UHFFFAOYSA-N 1 2 251.330 1.597 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc2n[nH]cc2c(C)c1 ZINC000767113503 576161222 /nfs/dbraw/zinc/16/12/22/576161222.db2.gz ITCWXYYTSCENPO-HNNXBMFYSA-N 1 2 282.347 1.907 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc2n[nH]cc2c(C)c1 ZINC000767113503 576161225 /nfs/dbraw/zinc/16/12/25/576161225.db2.gz ITCWXYYTSCENPO-HNNXBMFYSA-N 1 2 282.347 1.907 20 30 CDEDLO C=CCn1nnn(C[N@H+]2CCC[C@@H]2CSC)c1=S ZINC000767768088 576227563 /nfs/dbraw/zinc/22/75/63/576227563.db2.gz PRRBIIXYDOFMKN-SNVBAGLBSA-N 1 2 285.442 1.780 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2CCC[C@@H]2CSC)c1=S ZINC000767768088 576227566 /nfs/dbraw/zinc/22/75/66/576227566.db2.gz PRRBIIXYDOFMKN-SNVBAGLBSA-N 1 2 285.442 1.780 20 30 CDEDLO CC(C)C[N@H+](CCC#N)CC(=O)NCc1cccnc1 ZINC000739914739 576397636 /nfs/dbraw/zinc/39/76/36/576397636.db2.gz ONQBWTWIHDYIBQ-UHFFFAOYSA-N 1 2 274.368 1.569 20 30 CDEDLO CC(C)C[N@@H+](CCC#N)CC(=O)NCc1cccnc1 ZINC000739914739 576397638 /nfs/dbraw/zinc/39/76/38/576397638.db2.gz ONQBWTWIHDYIBQ-UHFFFAOYSA-N 1 2 274.368 1.569 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2csc(NC3CC3)n2)CC1 ZINC000760434405 576484575 /nfs/dbraw/zinc/48/45/75/576484575.db2.gz XSUIWSPWASGXPS-UHFFFAOYSA-N 1 2 290.392 1.108 20 30 CDEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@H](C(F)(F)F)C2)cc1 ZINC000761059592 576539908 /nfs/dbraw/zinc/53/99/08/576539908.db2.gz XMSANUAHYIZNNU-NWDGAFQWSA-N 1 2 297.280 1.969 20 30 CDEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@H](C(F)(F)F)C2)cc1 ZINC000761059592 576539910 /nfs/dbraw/zinc/53/99/10/576539910.db2.gz XMSANUAHYIZNNU-NWDGAFQWSA-N 1 2 297.280 1.969 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CC)C(=O)OC(C)(C)C ZINC000763814516 576759364 /nfs/dbraw/zinc/75/93/64/576759364.db2.gz MYKACKCISDXNHV-OLZOCXBDSA-N 1 2 294.395 1.321 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CC)C(=O)OC(C)(C)C ZINC000763814516 576759365 /nfs/dbraw/zinc/75/93/65/576759365.db2.gz MYKACKCISDXNHV-OLZOCXBDSA-N 1 2 294.395 1.321 20 30 CDEDLO C=C(Br)C[N@@H+](C)[C@@H](CO)COC(C)C ZINC000763881143 576762990 /nfs/dbraw/zinc/76/29/90/576762990.db2.gz USZSHEQEFWPVLN-JTQLQIEISA-N 1 2 266.179 1.613 20 30 CDEDLO C=C(Br)C[N@H+](C)[C@@H](CO)COC(C)C ZINC000763881143 576762992 /nfs/dbraw/zinc/76/29/92/576762992.db2.gz USZSHEQEFWPVLN-JTQLQIEISA-N 1 2 266.179 1.613 20 30 CDEDLO O=C(C#Cc1ccccc1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000747381485 576868036 /nfs/dbraw/zinc/86/80/36/576868036.db2.gz XOABFWNMFSBOGP-UHFFFAOYSA-N 1 2 278.311 1.723 20 30 CDEDLO C#CC(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000754041458 576875072 /nfs/dbraw/zinc/87/50/72/576875072.db2.gz KQTVPKDMKVXQSG-UHFFFAOYSA-N 1 2 258.321 1.399 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]N[C@H](C)c1ccccc1 ZINC000747633455 576877568 /nfs/dbraw/zinc/87/75/68/576877568.db2.gz QUZZFQLFVNWNIR-SNVBAGLBSA-N 1 2 271.324 1.752 20 30 CDEDLO C#CC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000754081043 576878323 /nfs/dbraw/zinc/87/83/23/576878323.db2.gz WXWCHZKWCXDVMD-UHFFFAOYSA-N 1 2 291.782 1.211 20 30 CDEDLO C(=NN1CCOCC1)c1c(-n2cc[nH+]c2)nc2ccccn12 ZINC000755491893 576946814 /nfs/dbraw/zinc/94/68/14/576946814.db2.gz SAUNEXRRMYRHOR-UHFFFAOYSA-N 1 2 296.334 1.186 20 30 CDEDLO CCCNC(=O)NC(=O)C[N@H+](CCC#N)CC(C)C ZINC000755670762 576954607 /nfs/dbraw/zinc/95/46/07/576954607.db2.gz SMUBLNBSBWVQLT-UHFFFAOYSA-N 1 2 268.361 1.094 20 30 CDEDLO CCCNC(=O)NC(=O)C[N@@H+](CCC#N)CC(C)C ZINC000755670762 576954608 /nfs/dbraw/zinc/95/46/08/576954608.db2.gz SMUBLNBSBWVQLT-UHFFFAOYSA-N 1 2 268.361 1.094 20 30 CDEDLO COc1ccc(CCNN=Cc2[nH+]c[nH]c2C)cc1 ZINC000755732370 576958037 /nfs/dbraw/zinc/95/80/37/576958037.db2.gz DKBVKZIBMLPDFR-UHFFFAOYSA-N 1 2 258.325 1.893 20 30 CDEDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000752017105 577082509 /nfs/dbraw/zinc/08/25/09/577082509.db2.gz CGPGKEUTSARSPU-UHFFFAOYSA-N 1 2 296.321 1.688 20 30 CDEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000752017105 577082511 /nfs/dbraw/zinc/08/25/11/577082511.db2.gz CGPGKEUTSARSPU-UHFFFAOYSA-N 1 2 296.321 1.688 20 30 CDEDLO C#CCNC(=S)NCc1ccccc1-n1cc[nH+]c1 ZINC000758212105 577082702 /nfs/dbraw/zinc/08/27/02/577082702.db2.gz BMWWNHGTWUKOQA-UHFFFAOYSA-N 1 2 270.361 1.470 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2coc(C)n2)C1 ZINC000949948534 612993014 /nfs/dbraw/zinc/99/30/14/612993014.db2.gz RHJIDMYAYLMXQK-UHFFFAOYSA-N 1 2 261.325 1.153 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)/C=C/C3CC3)CC2)C1 ZINC000949323059 613209691 /nfs/dbraw/zinc/20/96/91/613209691.db2.gz RKHLECYXCINIDW-AATRIKPKSA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)/C=C/C3CC3)CC2)C1 ZINC000949323059 613209693 /nfs/dbraw/zinc/20/96/93/613209693.db2.gz RKHLECYXCINIDW-AATRIKPKSA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C3CCC3)C2)C1 ZINC000972430172 613213212 /nfs/dbraw/zinc/21/32/12/613213212.db2.gz BIJWHDUJBRDYDC-RHSMWYFYSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C3CCC3)C2)C1 ZINC000972430172 613213215 /nfs/dbraw/zinc/21/32/15/613213215.db2.gz BIJWHDUJBRDYDC-RHSMWYFYSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnc(C)s2)C1 ZINC000965501558 613221094 /nfs/dbraw/zinc/22/10/94/613221094.db2.gz OWEQLMCHNGLGCL-ZYHUDNBSSA-N 1 2 277.393 1.525 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnc(C)s2)C1 ZINC000965501558 613221095 /nfs/dbraw/zinc/22/10/95/613221095.db2.gz OWEQLMCHNGLGCL-ZYHUDNBSSA-N 1 2 277.393 1.525 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2scnc2CC)C1 ZINC000966597386 613222109 /nfs/dbraw/zinc/22/21/09/613222109.db2.gz IRJKTAHHTOEGRJ-DGCLKSJQSA-N 1 2 291.420 1.779 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2scnc2CC)C1 ZINC000966597386 613222111 /nfs/dbraw/zinc/22/21/11/613222111.db2.gz IRJKTAHHTOEGRJ-DGCLKSJQSA-N 1 2 291.420 1.779 20 30 CDEDLO C=C(C)CC[NH+]1CC(N(CC)C(=O)c2cnc(C)[nH]2)C1 ZINC000949784689 613246949 /nfs/dbraw/zinc/24/69/49/613246949.db2.gz UAGUVIYRYAZQQM-UHFFFAOYSA-N 1 2 276.384 1.831 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2Cc3ccncc3C2)C1 ZINC000951758471 613295372 /nfs/dbraw/zinc/29/53/72/613295372.db2.gz UHEYKAWDLUNAGL-HNNXBMFYSA-N 1 2 299.418 1.905 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2c(C)nn(C)c2F)CC1 ZINC000957493413 613320085 /nfs/dbraw/zinc/32/00/85/613320085.db2.gz GACQCSRJSZAEML-UHFFFAOYSA-N 1 2 280.347 1.202 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc3nnc(C)n3c2)CC1 ZINC000949016509 613320983 /nfs/dbraw/zinc/32/09/83/613320983.db2.gz XBCHXSIKFKHSRK-UHFFFAOYSA-N 1 2 299.378 1.372 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC000968172593 613326052 /nfs/dbraw/zinc/32/60/52/613326052.db2.gz GMQOFBNLZAUKCD-VXGBXAGGSA-N 1 2 292.383 1.142 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC000968172593 613326053 /nfs/dbraw/zinc/32/60/53/613326053.db2.gz GMQOFBNLZAUKCD-VXGBXAGGSA-N 1 2 292.383 1.142 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000970442030 613371487 /nfs/dbraw/zinc/37/14/87/613371487.db2.gz MQJOGENFDQTYHJ-NQBHXWOUSA-N 1 2 286.803 1.743 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ncoc2C)C1 ZINC000969361127 613372009 /nfs/dbraw/zinc/37/20/09/613372009.db2.gz GMULZJJTZQJNDE-SECBINFHSA-N 1 2 283.759 1.786 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCO2)C1 ZINC000969254474 613372151 /nfs/dbraw/zinc/37/21/51/613372151.db2.gz SHCKYINXAUTLPX-CMPLNLGQSA-N 1 2 272.776 1.354 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2C[C@@H]2C)C1 ZINC000970283792 613372185 /nfs/dbraw/zinc/37/21/85/613372185.db2.gz HSJPBKNKPLQVLZ-PEXQALLHSA-N 1 2 256.777 1.831 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2[nH]cnc2CC)C1 ZINC000970806516 613372228 /nfs/dbraw/zinc/37/22/28/613372228.db2.gz NIMJCKXMJBHCPW-JTQLQIEISA-N 1 2 296.802 1.775 20 30 CDEDLO C=CCC[NH+]1CC(N(CC)C(=O)c2cnc(C)[nH]2)C1 ZINC000949794327 613480940 /nfs/dbraw/zinc/48/09/40/613480940.db2.gz ZXULILMUNLCVLL-UHFFFAOYSA-N 1 2 262.357 1.441 20 30 CDEDLO O=C(CCCn1cc[nH+]c1)NCC#C[C@@H]1CCCCO1 ZINC000891125778 617368334 /nfs/dbraw/zinc/36/83/34/617368334.db2.gz DDEKRGZJTANENV-AWEZNQCLSA-N 1 2 275.352 1.352 20 30 CDEDLO CC#CCN1CC([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000970061125 613539153 /nfs/dbraw/zinc/53/91/53/613539153.db2.gz WJNFFFRRMBOJMV-ZDUSSCGKSA-N 1 2 296.374 1.408 20 30 CDEDLO CC#CC[N@H+]1CCCN(C(=O)c2scnc2CC)CC1 ZINC000981288717 613557359 /nfs/dbraw/zinc/55/73/59/613557359.db2.gz PIRXUYSJMVFVNP-UHFFFAOYSA-N 1 2 291.420 1.877 20 30 CDEDLO CC#CC[N@@H+]1CCCN(C(=O)c2scnc2CC)CC1 ZINC000981288717 613557362 /nfs/dbraw/zinc/55/73/62/613557362.db2.gz PIRXUYSJMVFVNP-UHFFFAOYSA-N 1 2 291.420 1.877 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CCc2nc(C)cs2)CC1 ZINC000949311969 613561959 /nfs/dbraw/zinc/56/19/59/613561959.db2.gz UWVZTTSROVCCSJ-UHFFFAOYSA-N 1 2 291.420 1.552 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H](C)n2cccn2)CC1 ZINC000957116043 613562544 /nfs/dbraw/zinc/56/25/44/613562544.db2.gz ZZPUWJGFGFFOAV-CQSZACIVSA-N 1 2 274.368 1.002 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CCC3)C2)C1 ZINC000972210916 613571242 /nfs/dbraw/zinc/57/12/42/613571242.db2.gz KPZFLJKLUCOLNE-MRXNPFEDSA-N 1 2 276.380 1.113 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CCC3)C2)C1 ZINC000972210916 613571243 /nfs/dbraw/zinc/57/12/43/613571243.db2.gz KPZFLJKLUCOLNE-MRXNPFEDSA-N 1 2 276.380 1.113 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C)C(C)(C)C1 ZINC000974734155 613609442 /nfs/dbraw/zinc/60/94/42/613609442.db2.gz VLUANZGUKTTWPT-LSDHHAIUSA-N 1 2 291.439 1.321 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C)C(C)(C)C1 ZINC000974734155 613609443 /nfs/dbraw/zinc/60/94/43/613609443.db2.gz VLUANZGUKTTWPT-LSDHHAIUSA-N 1 2 291.439 1.321 20 30 CDEDLO CC#CCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000974734155 613609446 /nfs/dbraw/zinc/60/94/46/613609446.db2.gz VLUANZGUKTTWPT-LSDHHAIUSA-N 1 2 291.439 1.321 20 30 CDEDLO CC#CCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000974734155 613609449 /nfs/dbraw/zinc/60/94/49/613609449.db2.gz VLUANZGUKTTWPT-LSDHHAIUSA-N 1 2 291.439 1.321 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[C@@H]2OC)C1 ZINC000957445550 613653396 /nfs/dbraw/zinc/65/33/96/613653396.db2.gz OWOGUZKQUTZGHD-CABCVRRESA-N 1 2 280.412 1.910 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2cc(C)on2)CC1 ZINC000950437009 613707547 /nfs/dbraw/zinc/70/75/47/613707547.db2.gz AKXONYHDKRWMSE-UHFFFAOYSA-N 1 2 263.341 1.246 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccc3nc(C)[nH]c32)CC1 ZINC000957076137 613717051 /nfs/dbraw/zinc/71/70/51/613717051.db2.gz UNSRPGRGYPKVOF-UHFFFAOYSA-N 1 2 284.363 1.815 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccn(C(C)(C)C)n2)CC1 ZINC000948610772 613717343 /nfs/dbraw/zinc/71/73/43/613717343.db2.gz IYBMEPVUWVMXBE-UHFFFAOYSA-N 1 2 276.384 1.582 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnn(CC(C)C)c2C)CC1 ZINC000957493525 613718530 /nfs/dbraw/zinc/71/85/30/613718530.db2.gz LUPMJQDABVUMQV-UHFFFAOYSA-N 1 2 290.411 1.791 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCC3CC3)C2)C1 ZINC000972303987 613723530 /nfs/dbraw/zinc/72/35/30/613723530.db2.gz KAPLFMYNNHSBBA-INIZCTEOSA-N 1 2 278.396 1.666 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCC3CC3)C2)C1 ZINC000972303987 613723535 /nfs/dbraw/zinc/72/35/35/613723535.db2.gz KAPLFMYNNHSBBA-INIZCTEOSA-N 1 2 278.396 1.666 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](F)CC)C2)C1 ZINC000972501518 613723603 /nfs/dbraw/zinc/72/36/03/613723603.db2.gz FCSWNTVWEUIVIP-JSGCOSHPSA-N 1 2 270.348 1.224 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](F)CC)C2)C1 ZINC000972501518 613723606 /nfs/dbraw/zinc/72/36/06/613723606.db2.gz FCSWNTVWEUIVIP-JSGCOSHPSA-N 1 2 270.348 1.224 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](F)C(C)C)C2)C1 ZINC000972509256 613723661 /nfs/dbraw/zinc/72/36/61/613723661.db2.gz CDGHQWLSBXEZSX-ZFWWWQNUSA-N 1 2 284.375 1.470 20 30 CDEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](F)C(C)C)C2)C1 ZINC000972509256 613723662 /nfs/dbraw/zinc/72/36/62/613723662.db2.gz CDGHQWLSBXEZSX-ZFWWWQNUSA-N 1 2 284.375 1.470 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(C)CCC3)C2)C1 ZINC000972504425 613725101 /nfs/dbraw/zinc/72/51/01/613725101.db2.gz OBBPOTQUIHFWDN-MRXNPFEDSA-N 1 2 278.396 1.666 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(C)CCC3)C2)C1 ZINC000972504425 613725105 /nfs/dbraw/zinc/72/51/05/613725105.db2.gz OBBPOTQUIHFWDN-MRXNPFEDSA-N 1 2 278.396 1.666 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)C1 ZINC000972590337 613726118 /nfs/dbraw/zinc/72/61/18/613726118.db2.gz PXBPDYNDAOCPEU-ZMSDIMECSA-N 1 2 290.407 1.522 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)C1 ZINC000972590337 613726121 /nfs/dbraw/zinc/72/61/21/613726121.db2.gz PXBPDYNDAOCPEU-ZMSDIMECSA-N 1 2 290.407 1.522 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000933661326 617575207 /nfs/dbraw/zinc/57/52/07/617575207.db2.gz UGMNSVBLNRGLNZ-LSDHHAIUSA-N 1 2 280.412 1.912 20 30 CDEDLO CN(CC#N)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000971787404 616040603 /nfs/dbraw/zinc/04/06/03/616040603.db2.gz LHAQAXWOCALLKJ-GFCCVEGCSA-N 1 2 283.335 1.233 20 30 CDEDLO Cc1nn(-c2ccccc2)c(C)c1C=NNC1=[NH+]CCN1 ZINC000841661882 617611392 /nfs/dbraw/zinc/61/13/92/617611392.db2.gz OWSLEEVZNWMBGI-UHFFFAOYSA-N 1 2 282.351 1.372 20 30 CDEDLO CC[C@@H](CO)Nc1cc(NCC2(CC#N)CC2)[nH+]cn1 ZINC000893649301 617798736 /nfs/dbraw/zinc/79/87/36/617798736.db2.gz RDEGNQGBDRANDP-NSHDSACASA-N 1 2 275.356 1.765 20 30 CDEDLO CC[C@@H](CO)Nc1cc(NCC2(CC#N)CC2)nc[nH+]1 ZINC000893649301 617798742 /nfs/dbraw/zinc/79/87/42/617798742.db2.gz RDEGNQGBDRANDP-NSHDSACASA-N 1 2 275.356 1.765 20 30 CDEDLO NC(CCO)=[NH+]OCc1csc(C2CCCC2)n1 ZINC000136065837 618075426 /nfs/dbraw/zinc/07/54/26/618075426.db2.gz ILSZSWZAJNUIQB-UHFFFAOYSA-N 1 2 269.370 1.972 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2nc(CC)oc2C)CC1 ZINC000795914955 618395019 /nfs/dbraw/zinc/39/50/19/618395019.db2.gz GLBUWZUZQTYANV-UHFFFAOYSA-N 1 2 275.352 1.327 20 30 CDEDLO C=CCOC[C@H]([NH2+]CC1CCC(OC)CC1)C(=O)OC ZINC000894192799 618678903 /nfs/dbraw/zinc/67/89/03/618678903.db2.gz PRIAENFXZKPQFD-RUXDESIVSA-N 1 2 285.384 1.525 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1c2c(nn1C)CCSC2 ZINC000894470342 618906038 /nfs/dbraw/zinc/90/60/38/618906038.db2.gz UZPOPQXFBNRNOL-JTQLQIEISA-N 1 2 264.398 1.991 20 30 CDEDLO Cc1nc(CN2CC[NH+](C[C@H](C)CCC#N)CC2)n[nH]1 ZINC000895265342 619507147 /nfs/dbraw/zinc/50/71/47/619507147.db2.gz MOWVHVUVVNBXPG-GFCCVEGCSA-N 1 2 276.388 1.171 20 30 CDEDLO C#CCSCC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000895849570 619872125 /nfs/dbraw/zinc/87/21/25/619872125.db2.gz ZCXTYRAIDLYXTD-UHFFFAOYSA-N 1 2 294.445 1.589 20 30 CDEDLO C#CCSCC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000895849570 619872126 /nfs/dbraw/zinc/87/21/26/619872126.db2.gz ZCXTYRAIDLYXTD-UHFFFAOYSA-N 1 2 294.445 1.589 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(CC)on2)CC1 ZINC000895885472 619884540 /nfs/dbraw/zinc/88/45/40/619884540.db2.gz PSVQFQLDHGZRRY-UHFFFAOYSA-N 1 2 261.325 1.018 20 30 CDEDLO C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000896188199 620020837 /nfs/dbraw/zinc/02/08/37/620020837.db2.gz YWJOJRAZTABIOB-UONOGXRCSA-N 1 2 286.375 1.507 20 30 CDEDLO CC(C)c1ccccc1NC(=O)CO[NH+]=C(N)CCO ZINC000121307396 620476663 /nfs/dbraw/zinc/47/66/63/620476663.db2.gz PYHLIJRECJNIHC-UHFFFAOYSA-N 1 2 279.340 1.420 20 30 CDEDLO C=CCOCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897350098 620535317 /nfs/dbraw/zinc/53/53/17/620535317.db2.gz ZUEYPARGKUUGKB-CYBMUJFWSA-N 1 2 278.356 1.109 20 30 CDEDLO C=CCOCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897350098 620535322 /nfs/dbraw/zinc/53/53/22/620535322.db2.gz ZUEYPARGKUUGKB-CYBMUJFWSA-N 1 2 278.356 1.109 20 30 CDEDLO C=CCC1(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CCC1 ZINC000899062313 622039313 /nfs/dbraw/zinc/03/93/13/622039313.db2.gz PWJUQNROFLJAGL-UHFFFAOYSA-N 1 2 294.395 1.298 20 30 CDEDLO C=CCC1(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CCC1 ZINC000899062313 622039317 /nfs/dbraw/zinc/03/93/17/622039317.db2.gz PWJUQNROFLJAGL-UHFFFAOYSA-N 1 2 294.395 1.298 20 30 CDEDLO CC(C)[C@@H](C#N)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000900636870 623323573 /nfs/dbraw/zinc/32/35/73/623323573.db2.gz AXBUQQDZOHVTHD-OLZOCXBDSA-N 1 2 275.356 1.454 20 30 CDEDLO CC(C)[C@@H](C#N)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000900636870 623323582 /nfs/dbraw/zinc/32/35/82/623323582.db2.gz AXBUQQDZOHVTHD-OLZOCXBDSA-N 1 2 275.356 1.454 20 30 CDEDLO C#CCCN(CC(F)(F)F)C(=O)Cc1c[nH+]c[nH]1 ZINC000907426502 627662567 /nfs/dbraw/zinc/66/25/67/627662567.db2.gz ZPBXAWNZSJBVHM-UHFFFAOYSA-N 1 2 259.231 1.366 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CNc1cccc[nH+]1 ZINC000907949550 627918357 /nfs/dbraw/zinc/91/83/57/627918357.db2.gz XWAUOBIXQIFWTN-DOMZBBRYSA-N 1 2 275.352 1.591 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCCF ZINC001268743303 1160011539 /nfs/dbraw/zinc/01/15/39/1160011539.db2.gz LLWJRZQQXHRHJU-JTQLQIEISA-N 1 2 250.745 1.925 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCCF ZINC001268743303 1160011547 /nfs/dbraw/zinc/01/15/47/1160011547.db2.gz LLWJRZQQXHRHJU-JTQLQIEISA-N 1 2 250.745 1.925 20 30 CDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CCc3ccccc3C#N)C[C@H]21 ZINC001272059739 1160534297 /nfs/dbraw/zinc/53/42/97/1160534297.db2.gz DTRZXFHDBQTINC-CVEARBPZSA-N 1 2 299.374 1.032 20 30 CDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)CCc3ccccc3C#N)C[C@H]21 ZINC001272059739 1160534302 /nfs/dbraw/zinc/53/43/02/1160534302.db2.gz DTRZXFHDBQTINC-CVEARBPZSA-N 1 2 299.374 1.032 20 30 CDEDLO C=CCN1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001112994629 1162062414 /nfs/dbraw/zinc/06/24/14/1162062414.db2.gz CZFWGPDSHGVQGK-HNNXBMFYSA-N 1 2 290.411 1.801 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)OCc2ccccc2)CC1 ZINC001113095334 1162099094 /nfs/dbraw/zinc/09/90/94/1162099094.db2.gz CWFBSAQNBBGXHS-HNNXBMFYSA-N 1 2 288.391 1.922 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)C2(COC)CCC2)CC1 ZINC001113117707 1162103487 /nfs/dbraw/zinc/10/34/87/1162103487.db2.gz HWHNBRZFJMGGQV-UHFFFAOYSA-N 1 2 266.385 1.523 20 30 CDEDLO N#Cc1cccc(C(=O)OCc2cccc3[nH+]ccn32)n1 ZINC000810634883 1163259280 /nfs/dbraw/zinc/25/92/80/1163259280.db2.gz PTPHIZXXSZNUIC-UHFFFAOYSA-N 1 2 278.271 1.958 20 30 CDEDLO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H](C#N)CCC#N ZINC001604814172 1163335891 /nfs/dbraw/zinc/33/58/91/1163335891.db2.gz HXCAMDDEASKDKC-CYBMUJFWSA-N 1 2 295.350 1.742 20 30 CDEDLO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H](C#N)CCC#N ZINC001604814172 1163335897 /nfs/dbraw/zinc/33/58/97/1163335897.db2.gz HXCAMDDEASKDKC-CYBMUJFWSA-N 1 2 295.350 1.742 20 30 CDEDLO N#CCOc1ccc(C[N@H+]2CC(=O)N3CCC[C@@H]3C2)cc1 ZINC001137120583 1166045581 /nfs/dbraw/zinc/04/55/81/1166045581.db2.gz VDOOLOPJSQGWMO-CQSZACIVSA-N 1 2 285.347 1.396 20 30 CDEDLO N#CCOc1ccc(C[N@@H+]2CC(=O)N3CCC[C@@H]3C2)cc1 ZINC001137120583 1166045587 /nfs/dbraw/zinc/04/55/87/1166045587.db2.gz VDOOLOPJSQGWMO-CQSZACIVSA-N 1 2 285.347 1.396 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@@H](CC[NH2+]Cc2c[nH]nn2)C1 ZINC001575048419 1171094891 /nfs/dbraw/zinc/09/48/91/1171094891.db2.gz CGJNSMOCIANVSX-CYBMUJFWSA-N 1 2 291.399 1.489 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@@H](CC[NH2+]Cc2cn[nH]n2)C1 ZINC001575048419 1171094900 /nfs/dbraw/zinc/09/49/00/1171094900.db2.gz CGJNSMOCIANVSX-CYBMUJFWSA-N 1 2 291.399 1.489 20 30 CDEDLO CCCCCCCCCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC001577429975 1171668570 /nfs/dbraw/zinc/66/85/70/1171668570.db2.gz FZGVJHLUERMZAA-CQSZACIVSA-N 1 2 297.443 1.674 20 30 CDEDLO C[C@@H]([NH2+]CCCCC#N)c1cccc(-c2nn[nH]n2)c1O ZINC001589960861 1173214271 /nfs/dbraw/zinc/21/42/71/1173214271.db2.gz HTIVWMHLGSZANS-SNVBAGLBSA-N 1 2 286.339 1.917 20 30 CDEDLO C=CCCC[N@@H+](C)Cn1ccc(C)c(-c2nn[nH]n2)c1=O ZINC001602838105 1175428399 /nfs/dbraw/zinc/42/83/99/1175428399.db2.gz PDAXVCYTJOSGQZ-UHFFFAOYSA-N 1 2 288.355 1.192 20 30 CDEDLO C=CCCC[N@H+](C)Cn1ccc(C)c(-c2nn[nH]n2)c1=O ZINC001602838105 1175428401 /nfs/dbraw/zinc/42/84/01/1175428401.db2.gz PDAXVCYTJOSGQZ-UHFFFAOYSA-N 1 2 288.355 1.192 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)OCC ZINC001752525203 1184875703 /nfs/dbraw/zinc/87/57/03/1184875703.db2.gz XUUVDJQOUDLLJA-QLFBSQMISA-N 1 2 278.396 1.500 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)OCC ZINC001752525203 1184875711 /nfs/dbraw/zinc/87/57/11/1184875711.db2.gz XUUVDJQOUDLLJA-QLFBSQMISA-N 1 2 278.396 1.500 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OCC)C(C)C ZINC001752535096 1184876815 /nfs/dbraw/zinc/87/68/15/1184876815.db2.gz YLJLRIXDTPAGCA-OWCLPIDISA-N 1 2 292.423 1.746 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OCC)C(C)C ZINC001752535096 1184876821 /nfs/dbraw/zinc/87/68/21/1184876821.db2.gz YLJLRIXDTPAGCA-OWCLPIDISA-N 1 2 292.423 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc[nH]c1C ZINC001753046632 1185017093 /nfs/dbraw/zinc/01/70/93/1185017093.db2.gz KVIRQXDYLCGYOA-UHFFFAOYSA-N 1 2 255.749 1.737 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc[nH]c1C ZINC001753046632 1185017087 /nfs/dbraw/zinc/01/70/87/1185017087.db2.gz KVIRQXDYLCGYOA-UHFFFAOYSA-N 1 2 255.749 1.737 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)Cn2cncc2C)C1 ZINC001753318311 1185151879 /nfs/dbraw/zinc/15/18/79/1185151879.db2.gz HCSGULTTWGBEKN-OAHLLOKOSA-N 1 2 288.395 1.138 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)Cn2cncc2C)C1 ZINC001753318311 1185151881 /nfs/dbraw/zinc/15/18/81/1185151881.db2.gz HCSGULTTWGBEKN-OAHLLOKOSA-N 1 2 288.395 1.138 20 30 CDEDLO C=CCN1CC[NH+](CCN(C)C(=O)[C@H]2CC23CCC3)CC1 ZINC001753343461 1185162215 /nfs/dbraw/zinc/16/22/15/1185162215.db2.gz QFKCPILOBBZZOR-OAHLLOKOSA-N 1 2 291.439 1.439 20 30 CDEDLO CC[C@H](C)[C@H](C)C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001753344604 1185162647 /nfs/dbraw/zinc/16/26/47/1185162647.db2.gz LTGCJWPFCRMGTJ-GJZGRUSLSA-N 1 2 294.443 1.268 20 30 CDEDLO C=CCOCC[NH+]1CC(NC(=O)c2cccc(Cl)c2)C1 ZINC001753392226 1185182900 /nfs/dbraw/zinc/18/29/00/1185182900.db2.gz KKWJIPPQYDGZKI-UHFFFAOYSA-N 1 2 294.782 1.957 20 30 CDEDLO C=CCCOCC(=O)NC1C[NH+](CC=C(C)C)C1 ZINC001753394267 1185184138 /nfs/dbraw/zinc/18/41/38/1185184138.db2.gz UWZVPDKDWPJXPQ-UHFFFAOYSA-N 1 2 252.358 1.346 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001753449512 1185213589 /nfs/dbraw/zinc/21/35/89/1185213589.db2.gz GNNNOOGSUOEDBY-DLBZAZTESA-N 1 2 299.418 1.455 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001753449512 1185213595 /nfs/dbraw/zinc/21/35/95/1185213595.db2.gz GNNNOOGSUOEDBY-DLBZAZTESA-N 1 2 299.418 1.455 20 30 CDEDLO CCCC(C)(C)C(=O)NC[C@H]1CC[N@@H+]1CC#CCOC ZINC001754492470 1185640875 /nfs/dbraw/zinc/64/08/75/1185640875.db2.gz CRMHOYNCZPFWHM-CQSZACIVSA-N 1 2 280.412 1.653 20 30 CDEDLO CCCC(C)(C)C(=O)NC[C@H]1CC[N@H+]1CC#CCOC ZINC001754492470 1185640879 /nfs/dbraw/zinc/64/08/79/1185640879.db2.gz CRMHOYNCZPFWHM-CQSZACIVSA-N 1 2 280.412 1.653 20 30 CDEDLO C=CC(C)(C)C(=O)NCC1([NH2+][C@H](C)c2ncccn2)CC1 ZINC001754528158 1185660086 /nfs/dbraw/zinc/66/00/86/1185660086.db2.gz NZFDYIZTFFLTPL-GFCCVEGCSA-N 1 2 288.395 1.988 20 30 CDEDLO N#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001754547688 1185664092 /nfs/dbraw/zinc/66/40/92/1185664092.db2.gz MYUHWLAEDKSULG-OAHLLOKOSA-N 1 2 291.395 1.392 20 30 CDEDLO N#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001754547688 1185664096 /nfs/dbraw/zinc/66/40/96/1185664096.db2.gz MYUHWLAEDKSULG-OAHLLOKOSA-N 1 2 291.395 1.392 20 30 CDEDLO C=C(C)[C@H](CC(=O)N(C)C1C[NH+](CCOC)C1)OCC ZINC001754576316 1185672401 /nfs/dbraw/zinc/67/24/01/1185672401.db2.gz HLXZINFZRONNKQ-AWEZNQCLSA-N 1 2 284.400 1.147 20 30 CDEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@H](C=C)c2ccccc2)C1 ZINC001754779024 1185730297 /nfs/dbraw/zinc/73/02/97/1185730297.db2.gz LFABKOGKZNIEMQ-MRXNPFEDSA-N 1 2 298.386 1.142 20 30 CDEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)CC[C@@H](C)CC)C1 ZINC001755337765 1185923084 /nfs/dbraw/zinc/92/30/84/1185923084.db2.gz SUKZTSMWTABGKV-AWEZNQCLSA-N 1 2 282.428 1.942 20 30 CDEDLO C#CC[NH2+]C[C@@H](CCCC)NC(=O)c1[nH]ncc1F ZINC001755360251 1185927378 /nfs/dbraw/zinc/92/73/78/1185927378.db2.gz UDYMBBZESPODBW-SNVBAGLBSA-N 1 2 266.320 1.060 20 30 CDEDLO CC(C)C#CC(=O)N(C)C[C@@H](C)[NH2+]Cc1csnn1 ZINC001755586975 1186002557 /nfs/dbraw/zinc/00/25/57/1186002557.db2.gz SZNOMZJXNVQXJE-LLVKDONJSA-N 1 2 280.397 1.134 20 30 CDEDLO C#CC[NH2+]C1CC(N(C)C(=O)C(F)C(F)(F)F)C1 ZINC001755857790 1186091948 /nfs/dbraw/zinc/09/19/48/1186091948.db2.gz BULPPYIRVJXDOC-HACHORDNSA-N 1 2 266.238 1.099 20 30 CDEDLO C#CC[NH2+]C1CC(N(C)C(=O)[C@H](F)C(F)(F)F)C1 ZINC001755857790 1186091953 /nfs/dbraw/zinc/09/19/53/1186091953.db2.gz BULPPYIRVJXDOC-HACHORDNSA-N 1 2 266.238 1.099 20 30 CDEDLO CCc1ncc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)o1 ZINC001771951774 1186685407 /nfs/dbraw/zinc/68/54/07/1186685407.db2.gz JKAYUESFGIZKHD-UHFFFAOYSA-N 1 2 297.362 1.826 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccn1CC=C ZINC001038353699 705313140 /nfs/dbraw/zinc/31/31/40/705313140.db2.gz OQZDQJCJQOAUHS-CYBMUJFWSA-N 1 2 257.337 1.111 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccn1CC=C ZINC001038353699 705313146 /nfs/dbraw/zinc/31/31/46/705313146.db2.gz OQZDQJCJQOAUHS-CYBMUJFWSA-N 1 2 257.337 1.111 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccncc2Cl)C1 ZINC001035533402 705314838 /nfs/dbraw/zinc/31/48/38/705314838.db2.gz ORICPNPUSOLZTH-LLVKDONJSA-N 1 2 295.770 1.352 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccncc2Cl)C1 ZINC001035533402 705314846 /nfs/dbraw/zinc/31/48/46/705314846.db2.gz ORICPNPUSOLZTH-LLVKDONJSA-N 1 2 295.770 1.352 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccccn2c1 ZINC001032663412 705379815 /nfs/dbraw/zinc/37/98/15/705379815.db2.gz LIAKIBAHYZVQJN-IRXDYDNUSA-N 1 2 293.370 1.861 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccccn2c1 ZINC001032663412 705379816 /nfs/dbraw/zinc/37/98/16/705379816.db2.gz LIAKIBAHYZVQJN-IRXDYDNUSA-N 1 2 293.370 1.861 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)C1CC1)CO2 ZINC001053768218 705439317 /nfs/dbraw/zinc/43/93/17/705439317.db2.gz WHIQTEWOXRIVJB-TZMCWYRMSA-N 1 2 278.396 1.568 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032319444 705486045 /nfs/dbraw/zinc/48/60/45/705486045.db2.gz SMSRTHPYGIGYNG-RCBQFDQVSA-N 1 2 294.358 1.503 20 30 CDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032319444 705486048 /nfs/dbraw/zinc/48/60/48/705486048.db2.gz SMSRTHPYGIGYNG-RCBQFDQVSA-N 1 2 294.358 1.503 20 30 CDEDLO CC(=[NH+]OC[C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1N ZINC000814911769 705513205 /nfs/dbraw/zinc/51/32/05/705513205.db2.gz CKXSCLGEVGDJPG-SNVBAGLBSA-N 1 2 279.296 1.954 20 30 CDEDLO C[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000837466777 705527885 /nfs/dbraw/zinc/52/78/85/705527885.db2.gz CCWXBSNKVNVLBW-JSGCOSHPSA-N 1 2 257.337 1.706 20 30 CDEDLO C#C[C@@H](NC(=O)N[C@@H](CC)C[NH+]1CCOCC1)C(C)C ZINC000922520081 705544534 /nfs/dbraw/zinc/54/45/34/705544534.db2.gz KCSZVBUEFWBCOB-UONOGXRCSA-N 1 2 281.400 1.054 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC)o1 ZINC001032481974 705550704 /nfs/dbraw/zinc/55/07/04/705550704.db2.gz GZVXRUGHANDRDB-STQMWFEESA-N 1 2 272.348 1.764 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC)o1 ZINC001032481974 705550707 /nfs/dbraw/zinc/55/07/07/705550707.db2.gz GZVXRUGHANDRDB-STQMWFEESA-N 1 2 272.348 1.764 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2ccon2)CC[C@H]1C ZINC001071381143 705576114 /nfs/dbraw/zinc/57/61/14/705576114.db2.gz JRCHIPUMTUAOPY-DGCLKSJQSA-N 1 2 297.786 1.939 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2ccon2)CC[C@H]1C ZINC001071381143 705576117 /nfs/dbraw/zinc/57/61/17/705576117.db2.gz JRCHIPUMTUAOPY-DGCLKSJQSA-N 1 2 297.786 1.939 20 30 CDEDLO N#C[C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000928223678 705581513 /nfs/dbraw/zinc/58/15/13/705581513.db2.gz PYZCLSJMEDRLNH-RYUDHWBXSA-N 1 2 258.325 1.208 20 30 CDEDLO O=C(C#CC1CC1)N1CCC[C@@H]1C[NH2+]Cc1cnsn1 ZINC001034935543 705587041 /nfs/dbraw/zinc/58/70/41/705587041.db2.gz SSOBWYQJOCQKIA-CYBMUJFWSA-N 1 2 290.392 1.032 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ncoc3C)cc2C1 ZINC001054257305 705595525 /nfs/dbraw/zinc/59/55/25/705595525.db2.gz FTVDANBQAKPIAC-UHFFFAOYSA-N 1 2 295.342 1.862 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ncoc3C)cc2C1 ZINC001054257305 705595533 /nfs/dbraw/zinc/59/55/33/705595533.db2.gz FTVDANBQAKPIAC-UHFFFAOYSA-N 1 2 295.342 1.862 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2scnc2C2CC2)C1 ZINC001015810969 705624267 /nfs/dbraw/zinc/62/42/67/705624267.db2.gz WEDVHLTVMAJADH-GFCCVEGCSA-N 1 2 289.404 1.848 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2scnc2C2CC2)C1 ZINC001015810969 705624268 /nfs/dbraw/zinc/62/42/68/705624268.db2.gz WEDVHLTVMAJADH-GFCCVEGCSA-N 1 2 289.404 1.848 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001030414193 705642130 /nfs/dbraw/zinc/64/21/30/705642130.db2.gz QRZYPBJZJDHGDD-NSHDSACASA-N 1 2 270.323 1.636 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(F)(F)C1 ZINC001017460342 705649370 /nfs/dbraw/zinc/64/93/70/705649370.db2.gz BWWZJKMICHZCCS-TXEJJXNPSA-N 1 2 268.307 1.340 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(F)(F)C1 ZINC001017460342 705649380 /nfs/dbraw/zinc/64/93/80/705649380.db2.gz BWWZJKMICHZCCS-TXEJJXNPSA-N 1 2 268.307 1.340 20 30 CDEDLO CC(=NNc1[nH+]ccn1C)c1ccc2c(c1)NC(=O)CO2 ZINC000790306247 705661123 /nfs/dbraw/zinc/66/11/23/705661123.db2.gz UFLZMKWLVRSRBT-UHFFFAOYSA-N 1 2 285.307 1.587 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncoc1C1CC1 ZINC001018142144 705673136 /nfs/dbraw/zinc/67/31/36/705673136.db2.gz IBTRVEVAXMXXHL-OKILXGFUSA-N 1 2 299.374 1.864 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncoc1C1CC1 ZINC001018142144 705673138 /nfs/dbraw/zinc/67/31/38/705673138.db2.gz IBTRVEVAXMXXHL-OKILXGFUSA-N 1 2 299.374 1.864 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3[nH]nc4ccccc43)[C@@H]2C1 ZINC001076524102 705675796 /nfs/dbraw/zinc/67/57/96/705675796.db2.gz ZSNBXNMYFWNCQC-SWLSCSKDSA-N 1 2 294.358 1.342 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3[nH]nc4ccccc43)[C@@H]2C1 ZINC001076524102 705675802 /nfs/dbraw/zinc/67/58/02/705675802.db2.gz ZSNBXNMYFWNCQC-SWLSCSKDSA-N 1 2 294.358 1.342 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001006625456 705684130 /nfs/dbraw/zinc/68/41/30/705684130.db2.gz NYBSPRQNPFJHRT-JTQLQIEISA-N 1 2 296.758 1.129 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001006625456 705684135 /nfs/dbraw/zinc/68/41/35/705684135.db2.gz NYBSPRQNPFJHRT-JTQLQIEISA-N 1 2 296.758 1.129 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2conc2C(F)(F)F)C1 ZINC001015291497 705689300 /nfs/dbraw/zinc/68/93/00/705689300.db2.gz VNWIYFTVSJLEFH-MRVPVSSYSA-N 1 2 287.241 1.131 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2conc2C(F)(F)F)C1 ZINC001015291497 705689304 /nfs/dbraw/zinc/68/93/04/705689304.db2.gz VNWIYFTVSJLEFH-MRVPVSSYSA-N 1 2 287.241 1.131 20 30 CDEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)[nH]n1 ZINC001017386664 705690805 /nfs/dbraw/zinc/69/08/05/705690805.db2.gz DMSVBSWSQMVVPD-BETUJISGSA-N 1 2 274.368 1.583 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)[nH]n1 ZINC001017386664 705690810 /nfs/dbraw/zinc/69/08/10/705690810.db2.gz DMSVBSWSQMVVPD-BETUJISGSA-N 1 2 274.368 1.583 20 30 CDEDLO C=CCCOCC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874897200 705719908 /nfs/dbraw/zinc/71/99/08/705719908.db2.gz YCXTWQJZCWALCL-OAHLLOKOSA-N 1 2 292.354 1.891 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(Cl)cn2C)C1 ZINC001035440854 705720323 /nfs/dbraw/zinc/72/03/23/705720323.db2.gz VGDVJZJLPIAJJX-GFCCVEGCSA-N 1 2 297.786 1.295 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(Cl)cn2C)C1 ZINC001035440854 705720325 /nfs/dbraw/zinc/72/03/25/705720325.db2.gz VGDVJZJLPIAJJX-GFCCVEGCSA-N 1 2 297.786 1.295 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC2(F)F)C1 ZINC001035407660 705723944 /nfs/dbraw/zinc/72/39/44/705723944.db2.gz BIZAPBNVGGDSPB-NWDGAFQWSA-N 1 2 288.338 1.425 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC2(F)F)C1 ZINC001035407660 705723949 /nfs/dbraw/zinc/72/39/49/705723949.db2.gz BIZAPBNVGGDSPB-NWDGAFQWSA-N 1 2 288.338 1.425 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(OC)cc2C)C1 ZINC001030879603 705759284 /nfs/dbraw/zinc/75/92/84/705759284.db2.gz QLVSIZCYPDSPRZ-UHFFFAOYSA-N 1 2 274.364 1.994 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)C12CC(C(F)(F)F)(C1)C2 ZINC001039058991 705804655 /nfs/dbraw/zinc/80/46/55/705804655.db2.gz POJRMGIXUGNXKF-QFWMXSHPSA-N 1 2 286.297 1.543 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)C12CC(C(F)(F)F)(C1)C2 ZINC001039058991 705804657 /nfs/dbraw/zinc/80/46/57/705804657.db2.gz POJRMGIXUGNXKF-QFWMXSHPSA-N 1 2 286.297 1.543 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](C)N2CCCCC2=O)C1 ZINC001044330461 705813631 /nfs/dbraw/zinc/81/36/31/705813631.db2.gz BUGGODGNFWUOAT-CYBMUJFWSA-N 1 2 293.411 1.106 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2c(o1)CCCC2 ZINC001038325855 705847584 /nfs/dbraw/zinc/84/75/84/705847584.db2.gz SENXEHUFEPVMNU-CYBMUJFWSA-N 1 2 272.348 1.596 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c(o1)CCCC2 ZINC001038325855 705847585 /nfs/dbraw/zinc/84/75/85/705847585.db2.gz SENXEHUFEPVMNU-CYBMUJFWSA-N 1 2 272.348 1.596 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001043945891 705851110 /nfs/dbraw/zinc/85/11/10/705851110.db2.gz CVDIHFWONJLJCN-UHFFFAOYSA-N 1 2 276.384 1.865 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[C@@H]2C)C1 ZINC001033329218 705854469 /nfs/dbraw/zinc/85/44/69/705854469.db2.gz XEEWVDLFBYHDNV-WCQGTBRESA-N 1 2 256.777 1.928 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[C@@H]2C)C1 ZINC001033329218 705854475 /nfs/dbraw/zinc/85/44/75/705854475.db2.gz XEEWVDLFBYHDNV-WCQGTBRESA-N 1 2 256.777 1.928 20 30 CDEDLO C=C(C)C[N@H+](CC[S@](C)=O)Cc1ccc(CO)o1 ZINC000829714369 705865783 /nfs/dbraw/zinc/86/57/83/705865783.db2.gz XDWGXWQYVXBDFY-SFHVURJKSA-N 1 2 271.382 1.529 20 30 CDEDLO C=C(C)C[N@@H+](CC[S@](C)=O)Cc1ccc(CO)o1 ZINC000829714369 705865784 /nfs/dbraw/zinc/86/57/84/705865784.db2.gz XDWGXWQYVXBDFY-SFHVURJKSA-N 1 2 271.382 1.529 20 30 CDEDLO Cn1c[nH+]cc1CCOC(=O)c1ccccc1OCC#N ZINC000793239868 705927728 /nfs/dbraw/zinc/92/77/28/705927728.db2.gz VNDPYCQKBMNXDY-UHFFFAOYSA-N 1 2 285.303 1.722 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](CO)c2ccccc21 ZINC000817789565 705941248 /nfs/dbraw/zinc/94/12/48/705941248.db2.gz HAURKYKAWPUYMW-CJNGLKHVSA-N 1 2 284.359 1.207 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](CO)c2ccccc21 ZINC000817789565 705941251 /nfs/dbraw/zinc/94/12/51/705941251.db2.gz HAURKYKAWPUYMW-CJNGLKHVSA-N 1 2 284.359 1.207 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C)sn2)C1 ZINC001042663589 705942873 /nfs/dbraw/zinc/94/28/73/705942873.db2.gz LONNXMZPVUKDMM-UHFFFAOYSA-N 1 2 265.382 1.784 20 30 CDEDLO C[C@H](C#N)C[NH2+]Cc1cc(Br)nn1C ZINC000393684447 706015198 /nfs/dbraw/zinc/01/51/98/706015198.db2.gz MLPGRUKZQWNJCH-SSDOTTSWSA-N 1 2 257.135 1.432 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC001038946953 706016184 /nfs/dbraw/zinc/01/61/84/706016184.db2.gz AEHZXUBIDWLMBB-HNNXBMFYSA-N 1 2 256.349 1.822 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC001038946953 706016182 /nfs/dbraw/zinc/01/61/82/706016182.db2.gz AEHZXUBIDWLMBB-HNNXBMFYSA-N 1 2 256.349 1.822 20 30 CDEDLO C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCc3cn[nH]c32)C1 ZINC001046319406 706039406 /nfs/dbraw/zinc/03/94/06/706039406.db2.gz RINUQVJZHUPWKO-CZUORRHYSA-N 1 2 288.395 1.596 20 30 CDEDLO C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCc3cn[nH]c32)C1 ZINC001046319406 706039409 /nfs/dbraw/zinc/03/94/09/706039409.db2.gz RINUQVJZHUPWKO-CZUORRHYSA-N 1 2 288.395 1.596 20 30 CDEDLO C#CCOc1ccccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000840755195 706040367 /nfs/dbraw/zinc/04/03/67/706040367.db2.gz DXXHMTVCMWUSPU-AWEZNQCLSA-N 1 2 288.347 1.284 20 30 CDEDLO C#CCOc1ccccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000840755195 706040372 /nfs/dbraw/zinc/04/03/72/706040372.db2.gz DXXHMTVCMWUSPU-AWEZNQCLSA-N 1 2 288.347 1.284 20 30 CDEDLO C=CC(C)(C)CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000879812906 706044835 /nfs/dbraw/zinc/04/48/35/706044835.db2.gz FAONZLGSTHLEAF-ZDUSSCGKSA-N 1 2 268.401 1.768 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cn(C)cn2)C1 ZINC001033794090 706045854 /nfs/dbraw/zinc/04/58/54/706045854.db2.gz FHBYZQYOARMPBF-LBPRGKRZSA-N 1 2 296.802 1.709 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cn(C)cn2)C1 ZINC001033794090 706045860 /nfs/dbraw/zinc/04/58/60/706045860.db2.gz FHBYZQYOARMPBF-LBPRGKRZSA-N 1 2 296.802 1.709 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2cc[nH]c2)C1 ZINC001014524872 706053473 /nfs/dbraw/zinc/05/34/73/706053473.db2.gz XHJWMDLVDLZHEM-INIZCTEOSA-N 1 2 294.358 1.891 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c2)C1 ZINC001014524872 706053475 /nfs/dbraw/zinc/05/34/75/706053475.db2.gz XHJWMDLVDLZHEM-INIZCTEOSA-N 1 2 294.358 1.891 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001051074022 706054546 /nfs/dbraw/zinc/05/45/46/706054546.db2.gz FLGWWDPKKMMJDQ-ZIAGYGMSSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001051074022 706054552 /nfs/dbraw/zinc/05/45/52/706054552.db2.gz FLGWWDPKKMMJDQ-ZIAGYGMSSA-N 1 2 280.412 1.816 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ocnc1C1CC1 ZINC001038704429 706093991 /nfs/dbraw/zinc/09/39/91/706093991.db2.gz FLYLXTGHFAYMCA-NSHDSACASA-N 1 2 261.325 1.542 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ocnc1C1CC1 ZINC001038704429 706093993 /nfs/dbraw/zinc/09/39/93/706093993.db2.gz FLYLXTGHFAYMCA-NSHDSACASA-N 1 2 261.325 1.542 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C(C)C)C[C@H]21 ZINC001074174310 706168632 /nfs/dbraw/zinc/16/86/32/706168632.db2.gz NLKWTTLDFJEZJP-KGLIPLIRSA-N 1 2 266.385 1.520 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)C)C[C@H]21 ZINC001074174310 706168634 /nfs/dbraw/zinc/16/86/34/706168634.db2.gz NLKWTTLDFJEZJP-KGLIPLIRSA-N 1 2 266.385 1.520 20 30 CDEDLO C=C(C)CN(CC)C(=O)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845275167 706173453 /nfs/dbraw/zinc/17/34/53/706173453.db2.gz DMAKTZPSSRPXFM-CYBMUJFWSA-N 1 2 293.367 1.802 20 30 CDEDLO N#CC[C@@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000930061169 706193795 /nfs/dbraw/zinc/19/37/95/706193795.db2.gz OWVUKRIXKFDNMO-CYBMUJFWSA-N 1 2 275.308 1.834 20 30 CDEDLO N#CC[C@@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000930061169 706193796 /nfs/dbraw/zinc/19/37/96/706193796.db2.gz OWVUKRIXKFDNMO-CYBMUJFWSA-N 1 2 275.308 1.834 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC(CC)(CC)CC ZINC000884154962 706195639 /nfs/dbraw/zinc/19/56/39/706195639.db2.gz RYCBOWIITCDYDT-NSHDSACASA-N 1 2 270.373 1.518 20 30 CDEDLO CC[C@@H](F)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 ZINC001032396691 706212813 /nfs/dbraw/zinc/21/28/13/706212813.db2.gz COMCXBBUTPUCGL-RDBSUJKOSA-N 1 2 264.344 1.433 20 30 CDEDLO CC[C@@H](F)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 ZINC001032396691 706212823 /nfs/dbraw/zinc/21/28/23/706212823.db2.gz COMCXBBUTPUCGL-RDBSUJKOSA-N 1 2 264.344 1.433 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2nccc3cccnc32)C1 ZINC001030460270 709545921 /nfs/dbraw/zinc/54/59/21/709545921.db2.gz SXIQTMCEFGNXCY-UHFFFAOYSA-N 1 2 282.347 1.620 20 30 CDEDLO CCCCCCCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)OC ZINC000157345094 709784521 /nfs/dbraw/zinc/78/45/21/709784521.db2.gz CEHVZQWQQYUYCI-ZDUSSCGKSA-N 1 2 284.400 1.710 20 30 CDEDLO CCCCCCCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)OC ZINC000157345094 709784506 /nfs/dbraw/zinc/78/45/06/709784506.db2.gz CEHVZQWQQYUYCI-ZDUSSCGKSA-N 1 2 284.400 1.710 20 30 CDEDLO Cc1nc(N[C@H]2CN(C(=O)[C@@H](C)C#N)CC2(C)C)cc[nH+]1 ZINC001069541566 709788849 /nfs/dbraw/zinc/78/88/49/709788849.db2.gz MFJHIJBAVHTNQL-JQWIXIFHSA-N 1 2 287.367 1.594 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(C)=O)C1 ZINC001046905651 709805584 /nfs/dbraw/zinc/80/55/84/709805584.db2.gz FYGWWPHBAARHRT-JTQLQIEISA-N 1 2 266.719 1.832 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(C)=O)C1 ZINC001046905651 709805585 /nfs/dbraw/zinc/80/55/85/709805585.db2.gz FYGWWPHBAARHRT-JTQLQIEISA-N 1 2 266.719 1.832 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1coc(C)n1)CO2 ZINC001053786506 709851876 /nfs/dbraw/zinc/85/18/76/709851876.db2.gz IYXACDVOIAIUDR-GFCCVEGCSA-N 1 2 291.351 1.132 20 30 CDEDLO Cc1ccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1C#N ZINC000799560631 709852569 /nfs/dbraw/zinc/85/25/69/709852569.db2.gz MJLYKEKGIOTMCT-GFCCVEGCSA-N 1 2 268.320 1.882 20 30 CDEDLO Cn1nccc1[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000933523199 709857642 /nfs/dbraw/zinc/85/76/42/709857642.db2.gz PDJIKYGCJKYNQD-INIZCTEOSA-N 1 2 282.347 1.865 20 30 CDEDLO Cn1nccc1[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000933523199 709857643 /nfs/dbraw/zinc/85/76/43/709857643.db2.gz PDJIKYGCJKYNQD-INIZCTEOSA-N 1 2 282.347 1.865 20 30 CDEDLO C=C1CC(C)(C(=O)NC2C[NH+]([C@@H](C)COC)C2)C1 ZINC001030923692 709977488 /nfs/dbraw/zinc/97/74/88/709977488.db2.gz BNBKKNJRVHHQCL-NSHDSACASA-N 1 2 252.358 1.178 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2n[nH]cc2F)C1 ZINC001046600836 710017251 /nfs/dbraw/zinc/01/72/51/710017251.db2.gz UTIQMLNJDLGPAU-GFCCVEGCSA-N 1 2 286.738 1.496 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2n[nH]cc2F)C1 ZINC001046600836 710017256 /nfs/dbraw/zinc/01/72/56/710017256.db2.gz UTIQMLNJDLGPAU-GFCCVEGCSA-N 1 2 286.738 1.496 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)C[C@H]2CCC(C)(C)CO2)C1 ZINC001030696379 710020195 /nfs/dbraw/zinc/02/01/95/710020195.db2.gz SFKRHUFTUYJHCJ-CYBMUJFWSA-N 1 2 266.385 1.568 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000884137073 710059005 /nfs/dbraw/zinc/05/90/05/710059005.db2.gz CTPKLVIUNJKKGX-MROQNXINSA-N 1 2 282.384 1.374 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001015320446 710071020 /nfs/dbraw/zinc/07/10/20/710071020.db2.gz FTTYRWHXKFZRBI-PRFQISJJSA-N 1 2 296.798 1.353 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001015320446 710071023 /nfs/dbraw/zinc/07/10/23/710071023.db2.gz FTTYRWHXKFZRBI-PRFQISJJSA-N 1 2 296.798 1.353 20 30 CDEDLO Cc1cc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)n(C)n1 ZINC000851999763 710078243 /nfs/dbraw/zinc/07/82/43/710078243.db2.gz JJMNHFQCWFAUED-UHFFFAOYSA-N 1 2 296.378 1.317 20 30 CDEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(OCC)no2)C1 ZINC001007959958 710097436 /nfs/dbraw/zinc/09/74/36/710097436.db2.gz FGXPXWDOHNCVAY-GFCCVEGCSA-N 1 2 291.351 1.291 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(OCC)no2)C1 ZINC001007959958 710097443 /nfs/dbraw/zinc/09/74/43/710097443.db2.gz FGXPXWDOHNCVAY-GFCCVEGCSA-N 1 2 291.351 1.291 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2c(o1)CCCC2 ZINC001038325856 710163723 /nfs/dbraw/zinc/16/37/23/710163723.db2.gz SENXEHUFEPVMNU-ZDUSSCGKSA-N 1 2 272.348 1.596 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c(o1)CCCC2 ZINC001038325856 710163728 /nfs/dbraw/zinc/16/37/28/710163728.db2.gz SENXEHUFEPVMNU-ZDUSSCGKSA-N 1 2 272.348 1.596 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ncoc1C1CC1 ZINC001038882817 710176332 /nfs/dbraw/zinc/17/63/32/710176332.db2.gz ROQURZWCOJBQPD-NSHDSACASA-N 1 2 261.325 1.542 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ncoc1C1CC1 ZINC001038882817 710176339 /nfs/dbraw/zinc/17/63/39/710176339.db2.gz ROQURZWCOJBQPD-NSHDSACASA-N 1 2 261.325 1.542 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C)c1C ZINC001017425386 710178700 /nfs/dbraw/zinc/17/87/00/710178700.db2.gz UTECDULUTKCFCR-BETUJISGSA-N 1 2 274.368 1.501 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C)c1C ZINC001017425386 710178705 /nfs/dbraw/zinc/17/87/05/710178705.db2.gz UTECDULUTKCFCR-BETUJISGSA-N 1 2 274.368 1.501 20 30 CDEDLO C[C@@H](CC(=O)N1CCC[C@H](N(C)CC#N)C1)n1cc[nH+]c1 ZINC001027598491 710219181 /nfs/dbraw/zinc/21/91/81/710219181.db2.gz RGXWXQGEIAGKJD-KBPBESRZSA-N 1 2 289.383 1.281 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(COC)c1 ZINC001038472467 710219717 /nfs/dbraw/zinc/21/97/17/710219717.db2.gz ZAWMUSWIYRMTQF-MRXNPFEDSA-N 1 2 286.375 1.660 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(COC)c1 ZINC001038472467 710219720 /nfs/dbraw/zinc/21/97/20/710219720.db2.gz ZAWMUSWIYRMTQF-MRXNPFEDSA-N 1 2 286.375 1.660 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC001051128571 710243560 /nfs/dbraw/zinc/24/35/60/710243560.db2.gz ZNGURLCLTZZJNS-RBSFLKMASA-N 1 2 296.411 1.337 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC001051128571 710243564 /nfs/dbraw/zinc/24/35/64/710243564.db2.gz ZNGURLCLTZZJNS-RBSFLKMASA-N 1 2 296.411 1.337 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cscc1C ZINC001038135905 710249589 /nfs/dbraw/zinc/24/95/89/710249589.db2.gz DCTNTYZMQMDREG-GFCCVEGCSA-N 1 2 262.378 1.884 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cscc1C ZINC001038135905 710249594 /nfs/dbraw/zinc/24/95/94/710249594.db2.gz DCTNTYZMQMDREG-GFCCVEGCSA-N 1 2 262.378 1.884 20 30 CDEDLO Cc1cc([N+](=O)[O-])ccc1N[NH+]=Cc1cnc(N)nc1 ZINC000807991398 710258495 /nfs/dbraw/zinc/25/84/95/710258495.db2.gz XGOXAFHXZCRZFE-UHFFFAOYSA-N 1 2 272.268 1.721 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1oc(CCC)nc1C ZINC001038912113 710261223 /nfs/dbraw/zinc/26/12/23/710261223.db2.gz BFLCKYAOWSNAHZ-GFCCVEGCSA-N 1 2 277.368 1.926 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1oc(CCC)nc1C ZINC001038912113 710261227 /nfs/dbraw/zinc/26/12/27/710261227.db2.gz BFLCKYAOWSNAHZ-GFCCVEGCSA-N 1 2 277.368 1.926 20 30 CDEDLO CC[N@@H+](CCC#N)CCOc1cccc(-c2nn[nH]n2)c1 ZINC000821207469 710290155 /nfs/dbraw/zinc/29/01/55/710290155.db2.gz NNIYYEIISRVVRS-UHFFFAOYSA-N 1 2 286.339 1.481 20 30 CDEDLO CC[N@H+](CCC#N)CCOc1cccc(-c2nn[nH]n2)c1 ZINC000821207469 710290160 /nfs/dbraw/zinc/29/01/60/710290160.db2.gz NNIYYEIISRVVRS-UHFFFAOYSA-N 1 2 286.339 1.481 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2ncccc21 ZINC001038567907 710318434 /nfs/dbraw/zinc/31/84/34/710318434.db2.gz JRIZUTOGBOPZKS-CYBMUJFWSA-N 1 2 279.343 1.672 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2ncccc21 ZINC001038567907 710318437 /nfs/dbraw/zinc/31/84/37/710318437.db2.gz JRIZUTOGBOPZKS-CYBMUJFWSA-N 1 2 279.343 1.672 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C3CC3)C2)c(F)c1 ZINC001009831822 710331999 /nfs/dbraw/zinc/33/19/99/710331999.db2.gz NHZDLXCOPXOINX-AWEZNQCLSA-N 1 2 287.338 1.798 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C3CC3)C2)c(F)c1 ZINC001009831822 710332002 /nfs/dbraw/zinc/33/20/02/710332002.db2.gz NHZDLXCOPXOINX-AWEZNQCLSA-N 1 2 287.338 1.798 20 30 CDEDLO C#Cc1ccccc1CC(=O)N1CCC[N@@H+](CCF)CC1 ZINC000989564850 710353523 /nfs/dbraw/zinc/35/35/23/710353523.db2.gz QPIKQIGXUWJADP-UHFFFAOYSA-N 1 2 288.366 1.714 20 30 CDEDLO C#Cc1ccccc1CC(=O)N1CCC[N@H+](CCF)CC1 ZINC000989564850 710353524 /nfs/dbraw/zinc/35/35/24/710353524.db2.gz QPIKQIGXUWJADP-UHFFFAOYSA-N 1 2 288.366 1.714 20 30 CDEDLO C[C@@H](C#N)OCC[NH+]1CCN(Cc2ccco2)CC1 ZINC000801912031 710358615 /nfs/dbraw/zinc/35/86/15/710358615.db2.gz YBBXMRKPWFGZAR-ZDUSSCGKSA-N 1 2 263.341 1.326 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cncn1C ZINC001028003864 710382209 /nfs/dbraw/zinc/38/22/09/710382209.db2.gz MJOXTGVSZGKVED-NSHDSACASA-N 1 2 282.775 1.367 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cncn1C ZINC001028003864 710382213 /nfs/dbraw/zinc/38/22/13/710382213.db2.gz MJOXTGVSZGKVED-NSHDSACASA-N 1 2 282.775 1.367 20 30 CDEDLO N#CCN1CCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510350 710388104 /nfs/dbraw/zinc/38/81/04/710388104.db2.gz KBZFKGBTGIHJTK-CYBMUJFWSA-N 1 2 297.362 1.671 20 30 CDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2ccc[nH]2)C1 ZINC001031543885 710390560 /nfs/dbraw/zinc/39/05/60/710390560.db2.gz NFDQNYRPANCUBP-UHFFFAOYSA-N 1 2 294.358 1.748 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1cncnc1 ZINC001017844028 710408218 /nfs/dbraw/zinc/40/82/18/710408218.db2.gz KKLHWRPIMOMUCP-CWRNSKLLSA-N 1 2 298.390 1.279 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1cncnc1 ZINC001017844028 710408220 /nfs/dbraw/zinc/40/82/20/710408220.db2.gz KKLHWRPIMOMUCP-CWRNSKLLSA-N 1 2 298.390 1.279 20 30 CDEDLO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC001027592100 710416300 /nfs/dbraw/zinc/41/63/00/710416300.db2.gz JUGYHXYCUGINCG-CYBMUJFWSA-N 1 2 286.379 1.457 20 30 CDEDLO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC001027592100 710416307 /nfs/dbraw/zinc/41/63/07/710416307.db2.gz JUGYHXYCUGINCG-CYBMUJFWSA-N 1 2 286.379 1.457 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncoc1C(C)C ZINC001032718788 710432025 /nfs/dbraw/zinc/43/20/25/710432025.db2.gz MHGXXGZIGFPRRE-STQMWFEESA-N 1 2 287.363 1.720 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncoc1C(C)C ZINC001032718788 710432028 /nfs/dbraw/zinc/43/20/28/710432028.db2.gz MHGXXGZIGFPRRE-STQMWFEESA-N 1 2 287.363 1.720 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1ccco1 ZINC001018054302 710432841 /nfs/dbraw/zinc/43/28/41/710432841.db2.gz HNVWVVLBXJUCRS-KFWWJZLASA-N 1 2 286.375 1.767 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1ccco1 ZINC001018054302 710432842 /nfs/dbraw/zinc/43/28/42/710432842.db2.gz HNVWVVLBXJUCRS-KFWWJZLASA-N 1 2 286.375 1.767 20 30 CDEDLO CCCCc1nc(CO[NH+]=C(N)Cc2cccnc2)no1 ZINC000137648550 710441168 /nfs/dbraw/zinc/44/11/68/710441168.db2.gz RNJISLBPNXQFJS-UHFFFAOYSA-N 1 2 289.339 1.839 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(C=O)c(C)cc2C)C1 ZINC000923561785 710443296 /nfs/dbraw/zinc/44/32/96/710443296.db2.gz LZWSXOYKPVGJAX-INIZCTEOSA-N 1 2 298.386 1.943 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C=O)c(C)cc2C)C1 ZINC000923561785 710443300 /nfs/dbraw/zinc/44/33/00/710443300.db2.gz LZWSXOYKPVGJAX-INIZCTEOSA-N 1 2 298.386 1.943 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)n2cnc3ccccc32)C1 ZINC001031195274 710444482 /nfs/dbraw/zinc/44/44/82/710444482.db2.gz CFVBHCBVTYFDCY-ZDUSSCGKSA-N 1 2 298.390 1.974 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C)nc2)C1 ZINC001035291934 710485369 /nfs/dbraw/zinc/48/53/69/710485369.db2.gz ZLZGOGDQPMXEHQ-HNNXBMFYSA-N 1 2 289.379 1.397 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C)nc2)C1 ZINC001035291934 710485374 /nfs/dbraw/zinc/48/53/74/710485374.db2.gz ZLZGOGDQPMXEHQ-HNNXBMFYSA-N 1 2 289.379 1.397 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2cccn2cn1 ZINC001032471385 710487486 /nfs/dbraw/zinc/48/74/86/710487486.db2.gz UTOZGDMJQIDXLP-GJZGRUSLSA-N 1 2 294.358 1.256 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2cccn2cn1 ZINC001032471385 710487490 /nfs/dbraw/zinc/48/74/90/710487490.db2.gz UTOZGDMJQIDXLP-GJZGRUSLSA-N 1 2 294.358 1.256 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(=O)c2ccccc2o1 ZINC001038974573 710488294 /nfs/dbraw/zinc/48/82/94/710488294.db2.gz XBTHPENEBVJCEE-GFCCVEGCSA-N 1 2 298.342 1.783 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(=O)c2ccccc2o1 ZINC001038974573 710488295 /nfs/dbraw/zinc/48/82/95/710488295.db2.gz XBTHPENEBVJCEE-GFCCVEGCSA-N 1 2 298.342 1.783 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cccc(C#N)n2)C1 ZINC000811460842 710490717 /nfs/dbraw/zinc/49/07/17/710490717.db2.gz AULPPFWJPBCVIH-LBPRGKRZSA-N 1 2 295.346 1.707 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](CC(=C)Cl)C1 ZINC001031678746 710502476 /nfs/dbraw/zinc/50/24/76/710502476.db2.gz UAXZYGYMXVIJKP-KGLIPLIRSA-N 1 2 298.814 1.768 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2C/C=C\Cl)cn1 ZINC001038927755 710512774 /nfs/dbraw/zinc/51/27/74/710512774.db2.gz BIYRYQNYSXAHFD-NMNMAYGDSA-N 1 2 289.766 1.620 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C/C=C\Cl)cn1 ZINC001038927755 710512781 /nfs/dbraw/zinc/51/27/81/710512781.db2.gz BIYRYQNYSXAHFD-NMNMAYGDSA-N 1 2 289.766 1.620 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2cccn2)CC[C@@H]1C ZINC001071354009 710513386 /nfs/dbraw/zinc/51/33/86/710513386.db2.gz GCEFYSPOOYIRNT-QWHCGFSZSA-N 1 2 296.802 1.605 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2cccn2)CC[C@@H]1C ZINC001071354009 710513392 /nfs/dbraw/zinc/51/33/92/710513392.db2.gz GCEFYSPOOYIRNT-QWHCGFSZSA-N 1 2 296.802 1.605 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2[nH]c(C)cc2C)C1 ZINC001035417059 710517910 /nfs/dbraw/zinc/51/79/10/710517910.db2.gz RTHIBVFYAWRRJM-ZDUSSCGKSA-N 1 2 277.368 1.248 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2[nH]c(C)cc2C)C1 ZINC001035417059 710517918 /nfs/dbraw/zinc/51/79/18/710517918.db2.gz RTHIBVFYAWRRJM-ZDUSSCGKSA-N 1 2 277.368 1.248 20 30 CDEDLO C#CC1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000826548542 710522687 /nfs/dbraw/zinc/52/26/87/710522687.db2.gz LHTLLMWHYZKOCS-CYBMUJFWSA-N 1 2 272.352 1.253 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cncnc2C)C1 ZINC001046167979 710531173 /nfs/dbraw/zinc/53/11/73/710531173.db2.gz HXFXPAQXVRBQQU-CQSZACIVSA-N 1 2 294.786 1.732 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cncnc2C)C1 ZINC001046167979 710531177 /nfs/dbraw/zinc/53/11/77/710531177.db2.gz HXFXPAQXVRBQQU-CQSZACIVSA-N 1 2 294.786 1.732 20 30 CDEDLO Cc1nc(NC(=O)Cc2[nH]cc[nH+]2)sc1SCC#N ZINC000825137896 710533125 /nfs/dbraw/zinc/53/31/25/710533125.db2.gz FUIVXLDVRXBQGU-UHFFFAOYSA-N 1 2 293.377 1.972 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1sc(C)nc1C ZINC001038994635 710540113 /nfs/dbraw/zinc/54/01/13/710540113.db2.gz CMOJHPCDPCXQNQ-LLVKDONJSA-N 1 2 265.382 1.750 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1sc(C)nc1C ZINC001038994635 710540116 /nfs/dbraw/zinc/54/01/16/710540116.db2.gz CMOJHPCDPCXQNQ-LLVKDONJSA-N 1 2 265.382 1.750 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1CC ZINC001032381601 710553920 /nfs/dbraw/zinc/55/39/20/710553920.db2.gz DASZTFJOIURBJK-STQMWFEESA-N 1 2 272.348 1.764 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1CC ZINC001032381601 710553924 /nfs/dbraw/zinc/55/39/24/710553924.db2.gz DASZTFJOIURBJK-STQMWFEESA-N 1 2 272.348 1.764 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1OCCc2ccccc21 ZINC001032555111 710571991 /nfs/dbraw/zinc/57/19/91/710571991.db2.gz ZXOJRLQWUWDSIY-YQQAZPJKSA-N 1 2 296.370 1.219 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1OCCc2ccccc21 ZINC001032555111 710571999 /nfs/dbraw/zinc/57/19/99/710571999.db2.gz ZXOJRLQWUWDSIY-YQQAZPJKSA-N 1 2 296.370 1.219 20 30 CDEDLO Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C)C#N)c(C)n1 ZINC001032319427 710573941 /nfs/dbraw/zinc/57/39/41/710573941.db2.gz SFMCFKNQXQWINC-UVBJJODRSA-N 1 2 298.390 1.643 20 30 CDEDLO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C)C#N)c(C)n1 ZINC001032319427 710573947 /nfs/dbraw/zinc/57/39/47/710573947.db2.gz SFMCFKNQXQWINC-UVBJJODRSA-N 1 2 298.390 1.643 20 30 CDEDLO Cc1ccc(NCC[N@@H+]2CCO[C@@H](C)C2)c(C#N)n1 ZINC000881891435 710580036 /nfs/dbraw/zinc/58/00/36/710580036.db2.gz KDOYPCAUAVKOKR-LBPRGKRZSA-N 1 2 260.341 1.394 20 30 CDEDLO Cc1ccc(NCC[N@H+]2CCO[C@@H](C)C2)c(C#N)n1 ZINC000881891435 710580038 /nfs/dbraw/zinc/58/00/38/710580038.db2.gz KDOYPCAUAVKOKR-LBPRGKRZSA-N 1 2 260.341 1.394 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2CCCCC2)C1 ZINC001035267585 710603219 /nfs/dbraw/zinc/60/32/19/710603219.db2.gz MQLGJTWTOOGYLV-HNNXBMFYSA-N 1 2 280.412 1.960 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C2CCCCC2)C1 ZINC001035267585 710603225 /nfs/dbraw/zinc/60/32/25/710603225.db2.gz MQLGJTWTOOGYLV-HNNXBMFYSA-N 1 2 280.412 1.960 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001033433785 710612240 /nfs/dbraw/zinc/61/22/40/710612240.db2.gz XCXVOIZMWKSRHG-MCIONIFRSA-N 1 2 298.814 1.863 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001033433785 710612245 /nfs/dbraw/zinc/61/22/45/710612245.db2.gz XCXVOIZMWKSRHG-MCIONIFRSA-N 1 2 298.814 1.863 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(NC(C)=O)c1 ZINC001032778758 710623734 /nfs/dbraw/zinc/62/37/34/710623734.db2.gz JGOUNVPIIQNHGZ-HOTGVXAUSA-N 1 2 297.358 1.177 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(NC(C)=O)c1 ZINC001032778758 710623742 /nfs/dbraw/zinc/62/37/42/710623742.db2.gz JGOUNVPIIQNHGZ-HOTGVXAUSA-N 1 2 297.358 1.177 20 30 CDEDLO C=CC[N@@H+](C)C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000985444867 710636422 /nfs/dbraw/zinc/63/64/22/710636422.db2.gz BRIMKPHIARCSST-SNVBAGLBSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CC[N@H+](C)C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000985444867 710636438 /nfs/dbraw/zinc/63/64/38/710636438.db2.gz BRIMKPHIARCSST-SNVBAGLBSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CC[N@@H+](C)C1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000985444867 710636445 /nfs/dbraw/zinc/63/64/45/710636445.db2.gz BRIMKPHIARCSST-SNVBAGLBSA-N 1 2 282.281 1.996 20 30 CDEDLO C=CC[N@H+](C)C1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000985444867 710636452 /nfs/dbraw/zinc/63/64/52/710636452.db2.gz BRIMKPHIARCSST-SNVBAGLBSA-N 1 2 282.281 1.996 20 30 CDEDLO CCn1cncc1C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000862423045 710702527 /nfs/dbraw/zinc/70/25/27/710702527.db2.gz NLTWELFLIJGCJG-UHFFFAOYSA-N 1 2 296.378 1.492 20 30 CDEDLO N#Cc1cccc(CNC(=O)/C=C/C[NH+]2CCOCC2)c1 ZINC000864789499 710721100 /nfs/dbraw/zinc/72/11/00/710721100.db2.gz RCVASQQQEUZZGU-GORDUTHDSA-N 1 2 285.347 1.063 20 30 CDEDLO COc1ccc(COC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000078320948 710733802 /nfs/dbraw/zinc/73/38/02/710733802.db2.gz QQKNKTHPVKITSK-CQSZACIVSA-N 1 2 278.352 1.418 20 30 CDEDLO COc1ccc(COC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000078320948 710733809 /nfs/dbraw/zinc/73/38/09/710733809.db2.gz QQKNKTHPVKITSK-CQSZACIVSA-N 1 2 278.352 1.418 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1cn(C(C)C)nn1 ZINC000926125833 710784951 /nfs/dbraw/zinc/78/49/51/710784951.db2.gz MSCYDBPRVARERF-NSHDSACASA-N 1 2 286.401 1.110 20 30 CDEDLO C#CCONC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000812782186 710790999 /nfs/dbraw/zinc/79/09/99/710790999.db2.gz QOAJFYKHJVIHJL-UHFFFAOYSA-N 1 2 286.247 1.075 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2occc2[nH]1 ZINC001038306434 710792618 /nfs/dbraw/zinc/79/26/18/710792618.db2.gz MBFGETOXHAQISV-SNVBAGLBSA-N 1 2 257.293 1.198 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2occc2[nH]1 ZINC001038306434 710792624 /nfs/dbraw/zinc/79/26/24/710792624.db2.gz MBFGETOXHAQISV-SNVBAGLBSA-N 1 2 257.293 1.198 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccnc(-n3cccn3)c2)C1 ZINC001030936449 710808330 /nfs/dbraw/zinc/80/83/30/710808330.db2.gz YYSSXHGFSOZCGM-UHFFFAOYSA-N 1 2 297.362 1.257 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2c(C)n[nH]c2C)C1 ZINC001033511844 710814636 /nfs/dbraw/zinc/81/46/36/710814636.db2.gz MQVPEHKORSXDSQ-LBPRGKRZSA-N 1 2 296.802 1.925 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2c(C)n[nH]c2C)C1 ZINC001033511844 710814645 /nfs/dbraw/zinc/81/46/45/710814645.db2.gz MQVPEHKORSXDSQ-LBPRGKRZSA-N 1 2 296.802 1.925 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)n(C(F)F)n1 ZINC001038295579 710821508 /nfs/dbraw/zinc/82/15/08/710821508.db2.gz GZHJRKYVBQHMOK-NSHDSACASA-N 1 2 296.321 1.414 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)n(C(F)F)n1 ZINC001038295579 710821513 /nfs/dbraw/zinc/82/15/13/710821513.db2.gz GZHJRKYVBQHMOK-NSHDSACASA-N 1 2 296.321 1.414 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+]Cc1c(F)cc(C)cc1F ZINC000818203952 710845559 /nfs/dbraw/zinc/84/55/59/710845559.db2.gz OCJSDKZMQBKIOJ-UHFFFAOYSA-N 1 2 289.347 1.964 20 30 CDEDLO NC(Cc1cccnc1)=[NH+]OCC(=O)NCc1ccccc1 ZINC000137643220 711373568 /nfs/dbraw/zinc/37/35/68/711373568.db2.gz PBUSHFWLJAENCA-UHFFFAOYSA-N 1 2 298.346 1.229 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc[nH]3)C[C@H]21 ZINC001074412755 711465030 /nfs/dbraw/zinc/46/50/30/711465030.db2.gz LYAWLCLSWBZDEY-CABCVRRESA-N 1 2 289.379 1.045 20 30 CDEDLO C=CC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc[nH]3)C[C@H]21 ZINC001074412755 711465034 /nfs/dbraw/zinc/46/50/34/711465034.db2.gz LYAWLCLSWBZDEY-CABCVRRESA-N 1 2 289.379 1.045 20 30 CDEDLO C#C[C@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)C(C)C ZINC000838596764 711467336 /nfs/dbraw/zinc/46/73/36/711467336.db2.gz VYCPJTDTSQATBX-KGLIPLIRSA-N 1 2 274.368 1.887 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1occc1CC ZINC001038672573 711474991 /nfs/dbraw/zinc/47/49/91/711474991.db2.gz XGQKBSGMDNIYIQ-ZDUSSCGKSA-N 1 2 260.337 1.669 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1occc1CC ZINC001038672573 711474993 /nfs/dbraw/zinc/47/49/93/711474993.db2.gz XGQKBSGMDNIYIQ-ZDUSSCGKSA-N 1 2 260.337 1.669 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046251787 711500308 /nfs/dbraw/zinc/50/03/08/711500308.db2.gz UDGUENVAQIYCOA-AWEZNQCLSA-N 1 2 292.770 1.833 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046251787 711500311 /nfs/dbraw/zinc/50/03/11/711500311.db2.gz UDGUENVAQIYCOA-AWEZNQCLSA-N 1 2 292.770 1.833 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H](F)C2)C1 ZINC001031928370 711512434 /nfs/dbraw/zinc/51/24/34/711512434.db2.gz OFPBASVEPHJBKS-VXGBXAGGSA-N 1 2 274.767 1.925 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc2occc2[nH]1 ZINC001038306433 711558261 /nfs/dbraw/zinc/55/82/61/711558261.db2.gz MBFGETOXHAQISV-JTQLQIEISA-N 1 2 257.293 1.198 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2occc2[nH]1 ZINC001038306433 711558265 /nfs/dbraw/zinc/55/82/65/711558265.db2.gz MBFGETOXHAQISV-JTQLQIEISA-N 1 2 257.293 1.198 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001032823248 711572002 /nfs/dbraw/zinc/57/20/02/711572002.db2.gz UAHLANBMJORRRG-JYJNAYRXSA-N 1 2 296.370 1.217 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001032823248 711572006 /nfs/dbraw/zinc/57/20/06/711572006.db2.gz UAHLANBMJORRRG-JYJNAYRXSA-N 1 2 296.370 1.217 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)c1ccc(C)cc1 ZINC000884068217 711589776 /nfs/dbraw/zinc/58/97/76/711589776.db2.gz IGUDGSQTOSDCBT-ZDUSSCGKSA-N 1 2 276.336 1.404 20 30 CDEDLO C=CC(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001054977107 711593831 /nfs/dbraw/zinc/59/38/31/711593831.db2.gz UHOSHRJSBRFICO-CMPLNLGQSA-N 1 2 292.383 1.527 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)C2(F)CCCC2)C1 ZINC001043177774 711594260 /nfs/dbraw/zinc/59/42/60/711594260.db2.gz ZPFBWZVXNAQNQB-UHFFFAOYSA-N 1 2 252.333 1.435 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@H]2Cc3cccc(C)c3O2)C1 ZINC001044386459 711637563 /nfs/dbraw/zinc/63/75/63/711637563.db2.gz ZBFKKAHLSCWRMO-MRXNPFEDSA-N 1 2 298.386 1.464 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(F)c(OC)c1 ZINC001038733228 711656515 /nfs/dbraw/zinc/65/65/15/711656515.db2.gz DLAXUGISHZIMEC-GFCCVEGCSA-N 1 2 276.311 1.272 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(F)c(OC)c1 ZINC001038733228 711656518 /nfs/dbraw/zinc/65/65/18/711656518.db2.gz DLAXUGISHZIMEC-GFCCVEGCSA-N 1 2 276.311 1.272 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1O ZINC001039358864 711665250 /nfs/dbraw/zinc/66/52/50/711665250.db2.gz PAICKIDPGCDBRV-OLZOCXBDSA-N 1 2 285.347 1.099 20 30 CDEDLO C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1O ZINC001039358864 711665251 /nfs/dbraw/zinc/66/52/51/711665251.db2.gz PAICKIDPGCDBRV-OLZOCXBDSA-N 1 2 285.347 1.099 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cn(C)nn2)C1 ZINC001033811702 711681656 /nfs/dbraw/zinc/68/16/56/711681656.db2.gz DRAQULVGXHOXGP-NSHDSACASA-N 1 2 297.790 1.104 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cn(C)nn2)C1 ZINC001033811702 711681657 /nfs/dbraw/zinc/68/16/57/711681657.db2.gz DRAQULVGXHOXGP-NSHDSACASA-N 1 2 297.790 1.104 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001007134709 711688309 /nfs/dbraw/zinc/68/83/09/711688309.db2.gz OXGQAHGEYKUMRQ-LBPRGKRZSA-N 1 2 292.770 1.833 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001007134709 711688311 /nfs/dbraw/zinc/68/83/11/711688311.db2.gz OXGQAHGEYKUMRQ-LBPRGKRZSA-N 1 2 292.770 1.833 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)c1ccccc1C ZINC000884055083 711690711 /nfs/dbraw/zinc/69/07/11/711690711.db2.gz BFRCTKXLPUNCOI-OCCSQVGLSA-N 1 2 290.363 1.619 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(C#N)cn1 ZINC000848080402 711693444 /nfs/dbraw/zinc/69/34/44/711693444.db2.gz ZHBWBNCXAODHQV-SNVBAGLBSA-N 1 2 269.308 1.171 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(C#N)cn1 ZINC000848080402 711693446 /nfs/dbraw/zinc/69/34/46/711693446.db2.gz ZHBWBNCXAODHQV-SNVBAGLBSA-N 1 2 269.308 1.171 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)SC)C2)C1 ZINC000972341068 711694891 /nfs/dbraw/zinc/69/48/91/711694891.db2.gz AKVVXPNGKCZAOU-ZFWWWQNUSA-N 1 2 296.436 1.065 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)SC)C2)C1 ZINC000972341068 711694896 /nfs/dbraw/zinc/69/48/96/711694896.db2.gz AKVVXPNGKCZAOU-ZFWWWQNUSA-N 1 2 296.436 1.065 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(-n2cccn2)c1 ZINC001038820300 711699196 /nfs/dbraw/zinc/69/91/96/711699196.db2.gz BZLSDWDTHGCTSE-INIZCTEOSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(-n2cccn2)c1 ZINC001038820300 711699198 /nfs/dbraw/zinc/69/91/98/711699198.db2.gz BZLSDWDTHGCTSE-INIZCTEOSA-N 1 2 294.358 1.310 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2cc(C)ccc2O1 ZINC001038521916 711703695 /nfs/dbraw/zinc/70/36/95/711703695.db2.gz ZNRNCQXHODLFMA-RDJZCZTQSA-N 1 2 298.386 1.512 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2cc(C)ccc2O1 ZINC001038521916 711703696 /nfs/dbraw/zinc/70/36/96/711703696.db2.gz ZNRNCQXHODLFMA-RDJZCZTQSA-N 1 2 298.386 1.512 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000039419167 711707843 /nfs/dbraw/zinc/70/78/43/711707843.db2.gz ZWYYBRCJSXSJFH-UHFFFAOYSA-N 1 2 299.374 1.515 20 30 CDEDLO Cc1nc(NC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)cc[nH+]1 ZINC001065848916 711721822 /nfs/dbraw/zinc/72/18/22/711721822.db2.gz XVAPXDCYRYRPJO-DOMZBBRYSA-N 1 2 298.390 1.705 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cn2cc(C)ccc2n1 ZINC001038401456 711723710 /nfs/dbraw/zinc/72/37/10/711723710.db2.gz UYSWDDQMPIPRCA-CYBMUJFWSA-N 1 2 282.347 1.080 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn2cc(C)ccc2n1 ZINC001038401456 711723713 /nfs/dbraw/zinc/72/37/13/711723713.db2.gz UYSWDDQMPIPRCA-CYBMUJFWSA-N 1 2 282.347 1.080 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](Nc2cc(=O)[nH]c3cccnc23)C1 ZINC000884611356 711730870 /nfs/dbraw/zinc/73/08/70/711730870.db2.gz JUKREZOPNPPJLO-LBPRGKRZSA-N 1 2 282.347 1.845 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](Nc2cc(=O)[nH]c3cccnc23)C1 ZINC000884611356 711730872 /nfs/dbraw/zinc/73/08/72/711730872.db2.gz JUKREZOPNPPJLO-LBPRGKRZSA-N 1 2 282.347 1.845 20 30 CDEDLO N#Cc1ccc(CC(=O)OCc2cc[nH+]c(N)c2)cc1 ZINC000791815763 711734480 /nfs/dbraw/zinc/73/44/80/711734480.db2.gz RZBHJCMMYZNEAK-UHFFFAOYSA-N 1 2 267.288 1.821 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cccc(F)c2O)C1 ZINC000829583309 711736781 /nfs/dbraw/zinc/73/67/81/711736781.db2.gz YUUOXNGWLJUVAX-NSHDSACASA-N 1 2 276.311 1.359 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(F)c2O)C1 ZINC000829583309 711736782 /nfs/dbraw/zinc/73/67/82/711736782.db2.gz YUUOXNGWLJUVAX-NSHDSACASA-N 1 2 276.311 1.359 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cc3occc3s2)C1 ZINC001015694624 711747094 /nfs/dbraw/zinc/74/70/94/711747094.db2.gz WTXUHMUBWZOQBG-JTQLQIEISA-N 1 2 274.345 1.932 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc3occc3s2)C1 ZINC001015694624 711747096 /nfs/dbraw/zinc/74/70/96/711747096.db2.gz WTXUHMUBWZOQBG-JTQLQIEISA-N 1 2 274.345 1.932 20 30 CDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCCc1c[nH+]cn1C ZINC000793252386 711750374 /nfs/dbraw/zinc/75/03/74/711750374.db2.gz ZFNPSVAPNLNWEA-GFCCVEGCSA-N 1 2 299.330 1.845 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(F)F)C2)cc1F ZINC001009807673 711752027 /nfs/dbraw/zinc/75/20/27/711752027.db2.gz FXTIEIPBEYOSJZ-NSHDSACASA-N 1 2 297.280 1.653 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(F)F)C2)cc1F ZINC001009807673 711752030 /nfs/dbraw/zinc/75/20/30/711752030.db2.gz FXTIEIPBEYOSJZ-NSHDSACASA-N 1 2 297.280 1.653 20 30 CDEDLO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1[nH]nc(C)c1C ZINC001024362903 711760196 /nfs/dbraw/zinc/76/01/96/711760196.db2.gz RGPGNAXFGXEDHY-ZDUSSCGKSA-N 1 2 276.384 1.797 20 30 CDEDLO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1[nH]nc(C)c1C ZINC001024362903 711760197 /nfs/dbraw/zinc/76/01/97/711760197.db2.gz RGPGNAXFGXEDHY-ZDUSSCGKSA-N 1 2 276.384 1.797 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](CC=C)C1 ZINC000884401694 711766750 /nfs/dbraw/zinc/76/67/50/711766750.db2.gz YAXOIKCCJVUAKR-OLZOCXBDSA-N 1 2 280.368 1.248 20 30 CDEDLO N#Cc1ccccc1OCC[N@@H+]1CCCn2nncc2C1 ZINC000886455464 711770955 /nfs/dbraw/zinc/77/09/55/711770955.db2.gz PDZJAPFGOAEXJD-UHFFFAOYSA-N 1 2 283.335 1.434 20 30 CDEDLO N#Cc1ccccc1OCC[N@H+]1CCCn2nncc2C1 ZINC000886455464 711770957 /nfs/dbraw/zinc/77/09/57/711770957.db2.gz PDZJAPFGOAEXJD-UHFFFAOYSA-N 1 2 283.335 1.434 20 30 CDEDLO CCCCCNC(=O)[C@H](C#N)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845444148 711778015 /nfs/dbraw/zinc/77/80/15/711778015.db2.gz LIWBWQPKLNNDMT-CHWSQXEVSA-N 1 2 290.367 1.849 20 30 CDEDLO C=C(CO)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000791331990 711779600 /nfs/dbraw/zinc/77/96/00/711779600.db2.gz JXIHFJHROHRCKO-UHFFFAOYSA-N 1 2 287.319 1.449 20 30 CDEDLO CN(C)c1cc(COc2cnc(C#N)nc2)cc[nH+]1 ZINC000777528525 711781988 /nfs/dbraw/zinc/78/19/88/711781988.db2.gz JBDGCZGBLRFCTR-UHFFFAOYSA-N 1 2 255.281 1.388 20 30 CDEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(C)=O)C1 ZINC001027256022 711782375 /nfs/dbraw/zinc/78/23/75/711782375.db2.gz UQMWNAFPBREAAM-LLVKDONJSA-N 1 2 275.190 1.838 20 30 CDEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(C)=O)C1 ZINC001027256022 711782376 /nfs/dbraw/zinc/78/23/76/711782376.db2.gz UQMWNAFPBREAAM-LLVKDONJSA-N 1 2 275.190 1.838 20 30 CDEDLO COC(=O)[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)C(C)C ZINC000886127114 711783306 /nfs/dbraw/zinc/78/33/06/711783306.db2.gz BOAJTHZHSMMQGF-NWDGAFQWSA-N 1 2 268.357 1.218 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2scnc2CC)C1 ZINC001030406486 711784963 /nfs/dbraw/zinc/78/49/63/711784963.db2.gz IWGUUPVYEDEORJ-UHFFFAOYSA-N 1 2 265.382 1.696 20 30 CDEDLO CC(N=Nc1nc(-c2ccncc2)no1)c1ccc(N)[nH+]c1 ZINC000814827528 711787423 /nfs/dbraw/zinc/78/74/23/711787423.db2.gz NOBZXACVBKZMSD-UHFFFAOYSA-N 1 2 295.306 1.945 20 30 CDEDLO C#Cc1ccc(C(=O)NC2C[NH+](CC3=CCCCC3)C2)cn1 ZINC001031277885 711788683 /nfs/dbraw/zinc/78/86/83/711788683.db2.gz ROSCGHVMGAAOIQ-UHFFFAOYSA-N 1 2 295.386 1.977 20 30 CDEDLO CC[C@@H]1C[N@H+](Cn2cccc(C#N)c2=O)CCCO1 ZINC000799161765 711792351 /nfs/dbraw/zinc/79/23/51/711792351.db2.gz DEKXSGGRWODEAV-CYBMUJFWSA-N 1 2 261.325 1.178 20 30 CDEDLO CC[C@@H]1C[N@@H+](Cn2cccc(C#N)c2=O)CCCO1 ZINC000799161765 711792352 /nfs/dbraw/zinc/79/23/52/711792352.db2.gz DEKXSGGRWODEAV-CYBMUJFWSA-N 1 2 261.325 1.178 20 30 CDEDLO Nc1ccc2c(c1)CCCC2=[NH+]NC(=S)NC1CC1 ZINC000834926315 711810052 /nfs/dbraw/zinc/81/00/52/711810052.db2.gz ZSQJVMZNJFBPOT-UHFFFAOYSA-N 1 2 274.393 1.936 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn[nH]3)C[C@H]21 ZINC001041957189 711819157 /nfs/dbraw/zinc/81/91/57/711819157.db2.gz DKUWNRMRRKCOFO-DGCLKSJQSA-N 1 2 294.786 1.699 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccn[nH]3)C[C@H]21 ZINC001041957189 711819158 /nfs/dbraw/zinc/81/91/58/711819158.db2.gz DKUWNRMRRKCOFO-DGCLKSJQSA-N 1 2 294.786 1.699 20 30 CDEDLO Cc1nc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)co1 ZINC001075616332 711821123 /nfs/dbraw/zinc/82/11/23/711821123.db2.gz PMJKRGQDZBENBV-SCDSUCTJSA-N 1 2 288.351 1.175 20 30 CDEDLO Cc1nc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)co1 ZINC001075616332 711821124 /nfs/dbraw/zinc/82/11/24/711821124.db2.gz PMJKRGQDZBENBV-SCDSUCTJSA-N 1 2 288.351 1.175 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccccn3)C[C@H]21 ZINC001074144467 711823825 /nfs/dbraw/zinc/82/38/25/711823825.db2.gz QJHCLIOFKAYSMV-HZPDHXFCSA-N 1 2 299.374 1.020 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccccn3)C[C@H]21 ZINC001074144467 711823827 /nfs/dbraw/zinc/82/38/27/711823827.db2.gz QJHCLIOFKAYSMV-HZPDHXFCSA-N 1 2 299.374 1.020 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](Cc1ccccc1)OC ZINC001032792792 711827436 /nfs/dbraw/zinc/82/74/36/711827436.db2.gz MHHGUTLNNHNAND-YESZJQIVSA-N 1 2 298.386 1.162 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](Cc1ccccc1)OC ZINC001032792792 711827437 /nfs/dbraw/zinc/82/74/37/711827437.db2.gz MHHGUTLNNHNAND-YESZJQIVSA-N 1 2 298.386 1.162 20 30 CDEDLO C#CCO[C@H](C)C(=O)OCc1cccc2[nH+]ccn21 ZINC000835235982 711828176 /nfs/dbraw/zinc/82/81/76/711828176.db2.gz FYMFCYRXNQFZNP-LLVKDONJSA-N 1 2 258.277 1.416 20 30 CDEDLO CCCN(CCNC(=O)C#CC1CC1)c1cc[nH+]c(C)n1 ZINC001101138490 1167002054 /nfs/dbraw/zinc/00/20/54/1167002054.db2.gz WHKLYXOSRALYNT-UHFFFAOYSA-N 1 2 286.379 1.531 20 30 CDEDLO CC(=O)N1CCC2(C[NH+](Cc3cc(C#N)ccc3O)C2)C1 ZINC001232677043 1167390011 /nfs/dbraw/zinc/39/00/11/1167390011.db2.gz XLIHQSZPAQOXEJ-UHFFFAOYSA-N 1 2 285.347 1.318 20 30 CDEDLO C[C@@H](C#N)C(=O)NC1C[NH+](CCc2ccccc2)C1 ZINC001567787152 1168070128 /nfs/dbraw/zinc/07/01/28/1168070128.db2.gz WLTORFWAMWIJAO-LBPRGKRZSA-N 1 2 257.337 1.189 20 30 CDEDLO COC(=O)[C@@]1([NH2+]C2CCC(CC#N)CC2)CCOC1 ZINC001173331783 912431933 /nfs/dbraw/zinc/43/19/33/912431933.db2.gz GRQWKIQKRFURRI-ORHYLEIMSA-N 1 2 266.341 1.381 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC(C)C1 ZINC001233540381 912855803 /nfs/dbraw/zinc/85/58/03/912855803.db2.gz VXMFIWFDKNFWPW-NRXISQOPSA-N 1 2 278.396 1.215 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1CC(C)C1 ZINC001233540381 912855815 /nfs/dbraw/zinc/85/58/15/912855815.db2.gz VXMFIWFDKNFWPW-NRXISQOPSA-N 1 2 278.396 1.215 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=C)Cl)C[C@H]1O ZINC001099944215 912871687 /nfs/dbraw/zinc/87/16/87/912871687.db2.gz JYLNFCQINNSXSL-NWDGAFQWSA-N 1 2 286.803 1.503 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=C)Cl)C[C@H]1O ZINC001099944215 912871697 /nfs/dbraw/zinc/87/16/97/912871697.db2.gz JYLNFCQINNSXSL-NWDGAFQWSA-N 1 2 286.803 1.503 20 30 CDEDLO C#Cc1ccccc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001174493574 913164353 /nfs/dbraw/zinc/16/43/53/913164353.db2.gz KUWXISNZWTZJEJ-UHFFFAOYSA-N 1 2 296.374 1.940 20 30 CDEDLO C[C@H](CCCCNCC#N)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001175503190 913643230 /nfs/dbraw/zinc/64/32/30/913643230.db2.gz MXJGACDMANZJLT-ZIAGYGMSSA-N 1 2 291.399 1.622 20 30 CDEDLO COc1cc[nH+]cc1Nc1ncnc(OC)c1C#N ZINC001176122009 913968739 /nfs/dbraw/zinc/96/87/39/913968739.db2.gz YTTPSLIMCOCJLL-UHFFFAOYSA-N 1 2 257.253 1.504 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1-c1cccc(C#N)c1F ZINC001216412564 896814108 /nfs/dbraw/zinc/81/41/08/896814108.db2.gz HFVVIRGBPBSNNE-UHFFFAOYSA-N 1 2 274.255 1.642 20 30 CDEDLO C=C(C)C(=O)NCCCNc1[nH+]c(C)nc2c1ccn2C ZINC001167666291 897308008 /nfs/dbraw/zinc/30/80/08/897308008.db2.gz FAZYWYGILQHHOH-UHFFFAOYSA-N 1 2 287.367 1.771 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001150626604 914276305 /nfs/dbraw/zinc/27/63/05/914276305.db2.gz WRCYFVXOGHUTIB-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001150626604 914276323 /nfs/dbraw/zinc/27/63/23/914276323.db2.gz WRCYFVXOGHUTIB-LBPRGKRZSA-N 1 2 288.819 1.992 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C#CC(C)C)C[C@H]21 ZINC001177020122 914438654 /nfs/dbraw/zinc/43/86/54/914438654.db2.gz WBWNNVMYQLWMJL-HZPDHXFCSA-N 1 2 290.407 1.524 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C#CC(C)C)C[C@H]21 ZINC001177020122 914438659 /nfs/dbraw/zinc/43/86/59/914438659.db2.gz WBWNNVMYQLWMJL-HZPDHXFCSA-N 1 2 290.407 1.524 20 30 CDEDLO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C#CC(C)(C)C)C[C@H]21 ZINC001177013230 914435354 /nfs/dbraw/zinc/43/53/54/914435354.db2.gz PWVYRLFLUQTKKU-ZIAGYGMSSA-N 1 2 278.396 1.358 20 30 CDEDLO CC[N@H+]1CCO[C@@H]2CCN(C(=O)C#CC(C)(C)C)C[C@H]21 ZINC001177013230 914435355 /nfs/dbraw/zinc/43/53/55/914435355.db2.gz PWVYRLFLUQTKKU-ZIAGYGMSSA-N 1 2 278.396 1.358 20 30 CDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2[nH]nc3c2CCCC3)[C@H]1C ZINC001088698579 909080199 /nfs/dbraw/zinc/08/01/99/909080199.db2.gz YBXLSLKDEXISQW-YPMHNXCESA-N 1 2 286.379 1.114 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3c2CCCC3)[C@H]1C ZINC001088698579 909080211 /nfs/dbraw/zinc/08/02/11/909080211.db2.gz YBXLSLKDEXISQW-YPMHNXCESA-N 1 2 286.379 1.114 20 30 CDEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3occc3c2)[C@@H](O)C1 ZINC001083479272 909371399 /nfs/dbraw/zinc/37/13/99/909371399.db2.gz DNOIRIVNOXLORF-CABCVRRESA-N 1 2 298.342 1.231 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3occc3c2)[C@@H](O)C1 ZINC001083479272 909371415 /nfs/dbraw/zinc/37/14/15/909371415.db2.gz DNOIRIVNOXLORF-CABCVRRESA-N 1 2 298.342 1.231 20 30 CDEDLO C[NH+]1CC(=C([O-])NC(=[NH2+])c2ccc3cc(O)ccc3c2)C1 ZINC001142600798 909554432 /nfs/dbraw/zinc/55/44/32/909554432.db2.gz LOXZTRDYWGAFCC-UHFFFAOYSA-N 1 2 283.331 1.339 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCCNc1cc[nH+]c(C)n1)OCC ZINC001093909011 910197413 /nfs/dbraw/zinc/19/74/13/910197413.db2.gz DZGWXVBSJAQOCI-CYBMUJFWSA-N 1 2 292.383 1.684 20 30 CDEDLO N#CC1([NH2+][C@H]2CCN3C(=O)CC[C@H]3C2)CCCCC1 ZINC001172173260 911427594 /nfs/dbraw/zinc/42/75/94/911427594.db2.gz UVCFWEMBYGCQGF-STQMWFEESA-N 1 2 261.369 1.956 20 30 CDEDLO COC(=O)[C@H](CS)[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172649958 911819434 /nfs/dbraw/zinc/81/94/34/911819434.db2.gz YQTYLEIHRJYZNI-JTQLQIEISA-N 1 2 275.414 1.784 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001106066571 912134072 /nfs/dbraw/zinc/13/40/72/912134072.db2.gz HDESNCKPGMPKDJ-QWHCGFSZSA-N 1 2 292.383 1.276 20 30 CDEDLO COC(=O)[C@H](CS)[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173040613 912136012 /nfs/dbraw/zinc/13/60/12/912136012.db2.gz ISZHUFAQNYKJPM-LBPRGKRZSA-N 1 2 287.425 1.787 20 30 CDEDLO N#C[C@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccccc1 ZINC001177990227 915111099 /nfs/dbraw/zinc/11/10/99/915111099.db2.gz JYQDNVBHHRKSMQ-LBPRGKRZSA-N 1 2 254.293 1.723 20 30 CDEDLO Cc1noc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1C#N ZINC001178100212 915168162 /nfs/dbraw/zinc/16/81/62/915168162.db2.gz IJVYINPIGQHJKY-SECBINFHSA-N 1 2 271.280 1.252 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2ncccc2C(F)F)CC1 ZINC001178435739 915404920 /nfs/dbraw/zinc/40/49/20/915404920.db2.gz GYEPUSLUXXACPD-UHFFFAOYSA-N 1 2 295.333 1.892 20 30 CDEDLO C=CCCC(=O)NCC[NH2+]Cc1nc(CCC(C)C)no1 ZINC001124655447 936329043 /nfs/dbraw/zinc/32/90/43/936329043.db2.gz DMKYNBQTUTYDCG-UHFFFAOYSA-N 1 2 294.399 1.830 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc(Cl)cs1)C2 ZINC001097717339 936352712 /nfs/dbraw/zinc/35/27/12/936352712.db2.gz WWLBRVCCAUMKTD-BBBLOLIVSA-N 1 2 295.795 1.765 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc(Cl)cs1)C2 ZINC001097717339 936352716 /nfs/dbraw/zinc/35/27/16/936352716.db2.gz WWLBRVCCAUMKTD-BBBLOLIVSA-N 1 2 295.795 1.765 20 30 CDEDLO N#Cc1cc(CC(=O)N2CCc3[nH+]ccn3CC2)ccc1F ZINC001181182930 916893277 /nfs/dbraw/zinc/89/32/77/916893277.db2.gz SSOXPVDVAUYNAP-UHFFFAOYSA-N 1 2 298.321 1.521 20 30 CDEDLO N#CCCN(Cc1cccnc1)C(=O)Cc1cc[nH+]c(N)c1 ZINC001181239640 916906999 /nfs/dbraw/zinc/90/69/99/916906999.db2.gz CXFSZUGGGAVZSW-UHFFFAOYSA-N 1 2 295.346 1.544 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c(C#N)c1 ZINC001137697919 936391275 /nfs/dbraw/zinc/39/12/75/936391275.db2.gz BIAJQKJBOBVJNU-KGLIPLIRSA-N 1 2 264.300 1.472 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)c(C#N)c1 ZINC001137697919 936391278 /nfs/dbraw/zinc/39/12/78/936391278.db2.gz BIAJQKJBOBVJNU-KGLIPLIRSA-N 1 2 264.300 1.472 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC[C@H](F)C2)C1 ZINC001031928369 917365358 /nfs/dbraw/zinc/36/53/58/917365358.db2.gz OFPBASVEPHJBKS-RYUDHWBXSA-N 1 2 274.767 1.925 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001124482623 917394050 /nfs/dbraw/zinc/39/40/50/917394050.db2.gz GWDRGPMTAJWNLN-LBPRGKRZSA-N 1 2 281.356 1.170 20 30 CDEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1oc(C)nc1C#N ZINC001181993552 917543789 /nfs/dbraw/zinc/54/37/89/917543789.db2.gz LZXXCRJUHFPVQN-LLVKDONJSA-N 1 2 262.313 1.668 20 30 CDEDLO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1oc(C)nc1C#N ZINC001181993552 917543799 /nfs/dbraw/zinc/54/37/99/917543799.db2.gz LZXXCRJUHFPVQN-LLVKDONJSA-N 1 2 262.313 1.668 20 30 CDEDLO C#CCCCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nnc(C)o2)C1 ZINC001182214889 917725701 /nfs/dbraw/zinc/72/57/01/917725701.db2.gz KRNQWBQLWSWXHN-DGCLKSJQSA-N 1 2 290.367 1.433 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CC)C2 ZINC001110295039 917874188 /nfs/dbraw/zinc/87/41/88/917874188.db2.gz IQFVOHFUZSIWFB-DGAVXFQQSA-N 1 2 293.411 1.056 20 30 CDEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CC)C2 ZINC001110295039 917874200 /nfs/dbraw/zinc/87/42/00/917874200.db2.gz IQFVOHFUZSIWFB-DGAVXFQQSA-N 1 2 293.411 1.056 20 30 CDEDLO Cc1nc(N[C@@H](C)CN(C)C(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001115660003 917996381 /nfs/dbraw/zinc/99/63/81/917996381.db2.gz JCBRKCNSDMOIGY-UWVGGRQHSA-N 1 2 261.329 1.204 20 30 CDEDLO CC(C)[N@@H+]1CC[C@H]1C(=O)Nc1cc(C#N)c(C#N)cc1N ZINC001182851639 918199338 /nfs/dbraw/zinc/19/93/38/918199338.db2.gz IOYVUTCXPXKKEV-AWEZNQCLSA-N 1 2 283.335 1.433 20 30 CDEDLO CC(C)[N@H+]1CC[C@H]1C(=O)Nc1cc(C#N)c(C#N)cc1N ZINC001182851639 918199346 /nfs/dbraw/zinc/19/93/46/918199346.db2.gz IOYVUTCXPXKKEV-AWEZNQCLSA-N 1 2 283.335 1.433 20 30 CDEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C(C)(C)C=C)nn2)C1 ZINC001107191393 918251875 /nfs/dbraw/zinc/25/18/75/918251875.db2.gz UOMPLFDJMPYDIS-UHFFFAOYSA-N 1 2 289.383 1.149 20 30 CDEDLO N#Cc1ccc(NC/C=C/CNC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001107312233 918331043 /nfs/dbraw/zinc/33/10/43/918331043.db2.gz MBOOMNKBXGHNCR-OWOJBTEDSA-N 1 2 296.334 1.003 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001077615934 918437496 /nfs/dbraw/zinc/43/74/96/918437496.db2.gz XOPGFMMMPRASLE-ZIAGYGMSSA-N 1 2 292.766 1.057 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001077615934 918437504 /nfs/dbraw/zinc/43/75/04/918437504.db2.gz XOPGFMMMPRASLE-ZIAGYGMSSA-N 1 2 292.766 1.057 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cccnc2)C1 ZINC001107692620 918621677 /nfs/dbraw/zinc/62/16/77/918621677.db2.gz QDKUYCUOLUKCSF-HNNXBMFYSA-N 1 2 275.352 1.088 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cccnc2)C1 ZINC001107692620 918621686 /nfs/dbraw/zinc/62/16/86/918621686.db2.gz QDKUYCUOLUKCSF-HNNXBMFYSA-N 1 2 275.352 1.088 20 30 CDEDLO Cc1cc(NC[C@@H](C)NC(=O)C#CC2CC2)nc(C2CC2)[nH+]1 ZINC001107720077 918684689 /nfs/dbraw/zinc/68/46/89/918684689.db2.gz NFFPLGYZVDRWTI-GFCCVEGCSA-N 1 2 298.390 1.992 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)OCC)C1 ZINC001107788692 918785694 /nfs/dbraw/zinc/78/56/94/918785694.db2.gz JWCIUYCRNGIGOC-ZBFHGGJFSA-N 1 2 296.411 1.032 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)OCC)C1 ZINC001107788692 918785702 /nfs/dbraw/zinc/78/57/02/918785702.db2.gz JWCIUYCRNGIGOC-ZBFHGGJFSA-N 1 2 296.411 1.032 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(C)c(C)o2)C1 ZINC001107869764 918943114 /nfs/dbraw/zinc/94/31/14/918943114.db2.gz HCZPAVBFRCHPKG-MRXNPFEDSA-N 1 2 292.379 1.903 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(C)c(C)o2)C1 ZINC001107869764 918943124 /nfs/dbraw/zinc/94/31/24/918943124.db2.gz HCZPAVBFRCHPKG-MRXNPFEDSA-N 1 2 292.379 1.903 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c[nH]c3ccc(OC)cc23)CC1 ZINC001138510285 936543771 /nfs/dbraw/zinc/54/37/71/936543771.db2.gz WBOLBHJZTRRNDE-UHFFFAOYSA-N 1 2 283.375 1.927 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CC[C@@H](C)OC)C1 ZINC001107887299 918992655 /nfs/dbraw/zinc/99/26/55/918992655.db2.gz VJKDFFLYGBMTQS-GDBMZVCRSA-N 1 2 296.411 1.032 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CC[C@@H](C)OC)C1 ZINC001107887299 918992672 /nfs/dbraw/zinc/99/26/72/918992672.db2.gz VJKDFFLYGBMTQS-GDBMZVCRSA-N 1 2 296.411 1.032 20 30 CDEDLO C=C(C)CN1C[C@@]2(CC[N@H+](Cc3ccon3)C2)OCC1=O ZINC001272758603 919113353 /nfs/dbraw/zinc/11/33/53/919113353.db2.gz OPCIHTDWNHOFGE-HNNXBMFYSA-N 1 2 291.351 1.054 20 30 CDEDLO C=C(C)CN1C[C@@]2(CC[N@@H+](Cc3ccon3)C2)OCC1=O ZINC001272758603 919113365 /nfs/dbraw/zinc/11/33/65/919113365.db2.gz OPCIHTDWNHOFGE-HNNXBMFYSA-N 1 2 291.351 1.054 20 30 CDEDLO N#Cc1ccnnc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212356118 919252802 /nfs/dbraw/zinc/25/28/02/919252802.db2.gz MVWWFIXSWSRKJJ-UHFFFAOYSA-N 1 2 282.307 1.323 20 30 CDEDLO C=CCCCC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001185296833 919529539 /nfs/dbraw/zinc/52/95/39/919529539.db2.gz UEVDIZUXRQRXTA-LLVKDONJSA-N 1 2 280.397 1.585 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c1 ZINC001139646698 936633697 /nfs/dbraw/zinc/63/36/97/936633697.db2.gz FPBYRLGHIKGMDX-QWHCGFSZSA-N 1 2 252.264 1.602 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](F)[C@H](O)C2)c1 ZINC001139646698 936633699 /nfs/dbraw/zinc/63/36/99/936633699.db2.gz FPBYRLGHIKGMDX-QWHCGFSZSA-N 1 2 252.264 1.602 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001078753788 920438203 /nfs/dbraw/zinc/43/82/03/920438203.db2.gz HFOJCEOAYZKDIB-LBPRGKRZSA-N 1 2 292.383 1.320 20 30 CDEDLO N#Cc1ccc(C[NH+]2CC3(C2)C[C@@H](F)CS3)cn1 ZINC001140545852 936723404 /nfs/dbraw/zinc/72/34/04/936723404.db2.gz NCIHIFWNDAKPLF-LLVKDONJSA-N 1 2 263.341 1.983 20 30 CDEDLO C#Cc1cncc(C(=O)N[C@H](C)CNc2cc[nH+]c(C)n2)c1 ZINC001108102661 922141657 /nfs/dbraw/zinc/14/16/57/922141657.db2.gz SWINBXMYLCCYEF-LLVKDONJSA-N 1 2 295.346 1.392 20 30 CDEDLO N#CCCN1CC[NH+](Cc2cc(Cl)ccc2N)CC1 ZINC001140714814 936745140 /nfs/dbraw/zinc/74/51/40/936745140.db2.gz AIWISCHSZKMAOO-UHFFFAOYSA-N 1 2 278.787 1.953 20 30 CDEDLO C=CCOCC(=O)N1CC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001098512409 936753092 /nfs/dbraw/zinc/75/30/92/936753092.db2.gz BRMDDDPXOSIOSS-ZDUSSCGKSA-N 1 2 290.367 1.248 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCF)C1 ZINC001108124608 922583759 /nfs/dbraw/zinc/58/37/59/922583759.db2.gz ORHCRQWUPNGCCO-ZDUSSCGKSA-N 1 2 258.337 1.129 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCF)C1 ZINC001108124608 922583770 /nfs/dbraw/zinc/58/37/70/922583770.db2.gz ORHCRQWUPNGCCO-ZDUSSCGKSA-N 1 2 258.337 1.129 20 30 CDEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2nccnc2C)C1 ZINC001140939272 936779947 /nfs/dbraw/zinc/77/99/47/936779947.db2.gz GFFFLNBJQPGFGM-CYBMUJFWSA-N 1 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YLHIALCPGVBNEN-UHFFFAOYSA-N 1 2 253.309 1.964 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(CC)CC)[C@@H](O)C1 ZINC001099693000 936801446 /nfs/dbraw/zinc/80/14/46/936801446.db2.gz KFILZGOGBVDHDO-OLZOCXBDSA-N 1 2 288.819 1.727 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(CC)CC)[C@@H](O)C1 ZINC001099693000 936801447 /nfs/dbraw/zinc/80/14/47/936801447.db2.gz KFILZGOGBVDHDO-OLZOCXBDSA-N 1 2 288.819 1.727 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)ccc2C)[C@@H](O)C1 ZINC001083871786 923387802 /nfs/dbraw/zinc/38/78/02/923387802.db2.gz AVYJRYGDFPAKCD-KGLIPLIRSA-N 1 2 292.766 1.057 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)ccc2C)[C@@H](O)C1 ZINC001083871786 923387819 /nfs/dbraw/zinc/38/78/19/923387819.db2.gz AVYJRYGDFPAKCD-KGLIPLIRSA-N 1 2 292.766 1.057 20 30 CDEDLO C[N@H+](Cc1cn2c(n1)COCC2)Cc1ccc(C#N)cc1 ZINC001141532928 936893079 /nfs/dbraw/zinc/89/30/79/936893079.db2.gz JBIHXOVYILLUQK-UHFFFAOYSA-N 1 2 282.347 1.917 20 30 CDEDLO C[N@@H+](Cc1cn2c(n1)COCC2)Cc1ccc(C#N)cc1 ZINC001141532928 936893081 /nfs/dbraw/zinc/89/30/81/936893081.db2.gz JBIHXOVYILLUQK-UHFFFAOYSA-N 1 2 282.347 1.917 20 30 CDEDLO C=CCOC(=O)N1CCN(c2cc[nH+]c(OC)c2)CC1 ZINC001194312417 924151141 /nfs/dbraw/zinc/15/11/41/924151141.db2.gz OAMYKMIXMYSOPB-UHFFFAOYSA-N 1 2 277.324 1.535 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)n2cccn2)C1 ZINC001079438997 924317943 /nfs/dbraw/zinc/31/79/43/924317943.db2.gz PIVOHVVDZRDUDI-RAIGVLPGSA-N 1 2 296.802 1.633 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)n2cccn2)C1 ZINC001079438997 924317951 /nfs/dbraw/zinc/31/79/51/924317951.db2.gz PIVOHVVDZRDUDI-RAIGVLPGSA-N 1 2 296.802 1.633 20 30 CDEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC001194819401 924357658 /nfs/dbraw/zinc/35/76/58/924357658.db2.gz KJVRXQGMQVAJML-UHFFFAOYSA-N 1 2 276.336 1.077 20 30 CDEDLO COCC#CC[N@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC001194819401 924357662 /nfs/dbraw/zinc/35/76/62/924357662.db2.gz KJVRXQGMQVAJML-UHFFFAOYSA-N 1 2 276.336 1.077 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc(C)cc2Cl)CC1 ZINC001194893774 924398891 /nfs/dbraw/zinc/39/88/91/924398891.db2.gz QQMYUDIXUMJYOF-UHFFFAOYSA-N 1 2 279.771 1.987 20 30 CDEDLO N#CCOc1cccc(NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001141761863 936936301 /nfs/dbraw/zinc/93/63/01/936936301.db2.gz CPHSCYXEVIOQBV-UHFFFAOYSA-N 1 2 256.265 1.493 20 30 CDEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1CC1 ZINC001081257496 924706945 /nfs/dbraw/zinc/70/69/45/924706945.db2.gz MVBZSYCLSHZEST-HZPDHXFCSA-N 1 2 299.374 1.284 20 30 CDEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1CC1 ZINC001081257496 924706949 /nfs/dbraw/zinc/70/69/49/924706949.db2.gz MVBZSYCLSHZEST-HZPDHXFCSA-N 1 2 299.374 1.284 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3c(cccc3C)o2)[C@@H](O)C1 ZINC001084099973 925139494 /nfs/dbraw/zinc/13/94/94/925139494.db2.gz MTLMQSRYVLSBFZ-KGLIPLIRSA-N 1 2 298.342 1.149 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3c(cccc3C)o2)[C@@H](O)C1 ZINC001084099973 925139498 /nfs/dbraw/zinc/13/94/98/925139498.db2.gz MTLMQSRYVLSBFZ-KGLIPLIRSA-N 1 2 298.342 1.149 20 30 CDEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnc(CC)s2)[C@@H](O)C1 ZINC001084109616 925144440 /nfs/dbraw/zinc/14/44/40/925144440.db2.gz PZLODGJHJFHKMW-MNOVXSKESA-N 1 2 295.408 1.057 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnc(CC)s2)[C@@H](O)C1 ZINC001084109616 925144441 /nfs/dbraw/zinc/14/44/41/925144441.db2.gz PZLODGJHJFHKMW-MNOVXSKESA-N 1 2 295.408 1.057 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccnn3C)[C@@H]2C1 ZINC001084225273 925193274 /nfs/dbraw/zinc/19/32/74/925193274.db2.gz FHLXRDFJRJDEQZ-DGCLKSJQSA-N 1 2 294.786 1.319 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccnn3C)[C@@H]2C1 ZINC001084225273 925193277 /nfs/dbraw/zinc/19/32/77/925193277.db2.gz FHLXRDFJRJDEQZ-DGCLKSJQSA-N 1 2 294.786 1.319 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)CC)c1nccn12 ZINC001101609115 936993614 /nfs/dbraw/zinc/99/36/14/936993614.db2.gz UFFQKLGQLVIOSK-QWHCGFSZSA-N 1 2 288.395 1.687 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(CC)CC2)C1 ZINC001108194410 925587514 /nfs/dbraw/zinc/58/75/14/925587514.db2.gz SELVQXGNQJUCCT-OAHLLOKOSA-N 1 2 278.396 1.407 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2(CC)CC2)C1 ZINC001108194410 925587519 /nfs/dbraw/zinc/58/75/19/925587519.db2.gz SELVQXGNQJUCCT-OAHLLOKOSA-N 1 2 278.396 1.407 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3c(C)n(C)nc3c2)CC1 ZINC001199073843 925604621 /nfs/dbraw/zinc/60/46/21/925604621.db2.gz HQYSWDODTSRSDK-UHFFFAOYSA-N 1 2 298.390 1.826 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@](C)(CC)CCCCC)C1 ZINC001199217959 925641529 /nfs/dbraw/zinc/64/15/29/925641529.db2.gz VNFPMEXWAHRHMK-BFYDXBDKSA-N 1 2 294.439 1.778 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@](C)(CC)CCCCC)C1 ZINC001199217959 925641533 /nfs/dbraw/zinc/64/15/33/925641533.db2.gz VNFPMEXWAHRHMK-BFYDXBDKSA-N 1 2 294.439 1.778 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(C(C)C)CC2)C1 ZINC001108203102 925792305 /nfs/dbraw/zinc/79/23/05/925792305.db2.gz VJYUMXDCURVWOD-MRXNPFEDSA-N 1 2 292.423 1.653 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2(C(C)C)CC2)C1 ZINC001108203102 925792310 /nfs/dbraw/zinc/79/23/10/925792310.db2.gz VJYUMXDCURVWOD-MRXNPFEDSA-N 1 2 292.423 1.653 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ncoc1CC ZINC001085526368 926115183 /nfs/dbraw/zinc/11/51/83/926115183.db2.gz ZOWBDDASTOGCHI-GFCCVEGCSA-N 1 2 275.352 1.407 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncoc1CC ZINC001085526368 926115192 /nfs/dbraw/zinc/11/51/92/926115192.db2.gz ZOWBDDASTOGCHI-GFCCVEGCSA-N 1 2 275.352 1.407 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(OCC)no1 ZINC001085727284 926329813 /nfs/dbraw/zinc/32/98/13/926329813.db2.gz TXRBLAFIYFLDPP-NSHDSACASA-N 1 2 279.340 1.406 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(OCC)no1 ZINC001085727284 926329823 /nfs/dbraw/zinc/32/98/23/926329823.db2.gz TXRBLAFIYFLDPP-NSHDSACASA-N 1 2 279.340 1.406 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)c2ccco2)C1 ZINC001108209111 926396937 /nfs/dbraw/zinc/39/69/37/926396937.db2.gz IXSBMMGGPIHMOM-XJKSGUPXSA-N 1 2 292.379 1.776 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)c2ccco2)C1 ZINC001108209111 926396943 /nfs/dbraw/zinc/39/69/43/926396943.db2.gz IXSBMMGGPIHMOM-XJKSGUPXSA-N 1 2 292.379 1.776 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(F)cc(F)cc1F ZINC001085790747 926400193 /nfs/dbraw/zinc/40/01/93/926400193.db2.gz RFBYIGKMBQEZHW-NSHDSACASA-N 1 2 296.292 1.883 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(F)cc(F)cc1F ZINC001085790747 926400195 /nfs/dbraw/zinc/40/01/95/926400195.db2.gz RFBYIGKMBQEZHW-NSHDSACASA-N 1 2 296.292 1.883 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cncc(Cl)c1 ZINC001085873931 926468782 /nfs/dbraw/zinc/46/87/82/926468782.db2.gz NDAMVGVJSSDNOH-ZDUSSCGKSA-N 1 2 277.755 1.515 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cncc(Cl)c1 ZINC001085873931 926468786 /nfs/dbraw/zinc/46/87/86/926468786.db2.gz NDAMVGVJSSDNOH-ZDUSSCGKSA-N 1 2 277.755 1.515 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ncoc1C1CC1 ZINC001085909408 926499087 /nfs/dbraw/zinc/49/90/87/926499087.db2.gz JAOMBBXSGCKJDE-LBPRGKRZSA-N 1 2 273.336 1.332 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncoc1C1CC1 ZINC001085909408 926499091 /nfs/dbraw/zinc/49/90/91/926499091.db2.gz JAOMBBXSGCKJDE-LBPRGKRZSA-N 1 2 273.336 1.332 20 30 CDEDLO C#CC[NH+]1CCN(Cc2c(OC)cc(C)cc2OC)CC1 ZINC001143144226 937125163 /nfs/dbraw/zinc/12/51/63/937125163.db2.gz IHVZRRMDQLEHMZ-UHFFFAOYSA-N 1 2 288.391 1.763 20 30 CDEDLO C#CCN1CC[NH+](Cc2c(OC)cc(C)cc2OC)CC1 ZINC001143144226 937125165 /nfs/dbraw/zinc/12/51/65/937125165.db2.gz IHVZRRMDQLEHMZ-UHFFFAOYSA-N 1 2 288.391 1.763 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC23CCCC3)C1 ZINC001108325033 927391886 /nfs/dbraw/zinc/39/18/86/927391886.db2.gz KKJUCEOUGJZZKZ-HOCLYGCPSA-N 1 2 292.423 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC23CCCC3)C1 ZINC001108325033 927391897 /nfs/dbraw/zinc/39/18/97/927391897.db2.gz KKJUCEOUGJZZKZ-HOCLYGCPSA-N 1 2 292.423 1.960 20 30 CDEDLO Cc1cc(NC[C@H](C)NC(=O)C#CC2CC2)nc(C2CC2)[nH+]1 ZINC001108358514 927433077 /nfs/dbraw/zinc/43/30/77/927433077.db2.gz NFFPLGYZVDRWTI-LBPRGKRZSA-N 1 2 298.390 1.992 20 30 CDEDLO C#CCCCCC(=O)N[C@@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001108943389 928737837 /nfs/dbraw/zinc/73/78/37/928737837.db2.gz RECMTZVSXXKBPB-ZDUSSCGKSA-N 1 2 288.395 1.920 20 30 CDEDLO Cc1nc(NCCCN(C)C(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001109408367 928924765 /nfs/dbraw/zinc/92/47/65/928924765.db2.gz JMBOQPILDDLPEP-UHFFFAOYSA-N 1 2 298.350 1.559 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](CC(=C)C)CC1 ZINC001112671281 929310243 /nfs/dbraw/zinc/31/02/43/929310243.db2.gz FIUMJELTASBMIX-AWEZNQCLSA-N 1 2 266.385 1.688 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(COC)CC1)C2 ZINC001110806299 929326158 /nfs/dbraw/zinc/32/61/58/929326158.db2.gz ITXBHDUVERNXQN-UPJWGTAASA-N 1 2 298.814 1.887 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(COC)CC1)C2 ZINC001110806299 929326161 /nfs/dbraw/zinc/32/61/61/929326161.db2.gz ITXBHDUVERNXQN-UPJWGTAASA-N 1 2 298.814 1.887 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](CC)O2)CC1 ZINC001112902306 929546677 /nfs/dbraw/zinc/54/66/77/929546677.db2.gz KPUDCSXWRZHOCJ-HUUCEWRRSA-N 1 2 296.411 1.291 20 30 CDEDLO C=CCO[C@H](C)C(=O)N(C)C[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001115759656 937418374 /nfs/dbraw/zinc/41/83/74/937418374.db2.gz KMFGBOGOJIQNJJ-NWDGAFQWSA-N 1 2 292.383 1.635 20 30 CDEDLO C#CC[NH2+]CCCC[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC001170894001 930689582 /nfs/dbraw/zinc/68/95/82/930689582.db2.gz GPUSDAXXDRZOFE-NXEZZACHSA-N 1 2 282.281 1.785 20 30 CDEDLO C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC001170894001 930689591 /nfs/dbraw/zinc/68/95/91/930689591.db2.gz GPUSDAXXDRZOFE-NXEZZACHSA-N 1 2 282.281 1.785 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC001116805424 937472945 /nfs/dbraw/zinc/47/29/45/937472945.db2.gz QHZMHMHAXHBNRY-JTQLQIEISA-N 1 2 266.291 1.535 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC001116805424 937472947 /nfs/dbraw/zinc/47/29/47/937472947.db2.gz QHZMHMHAXHBNRY-JTQLQIEISA-N 1 2 266.291 1.535 20 30 CDEDLO C=CCN1C(=O)COCC12C[NH+](Cc1ccsc1C)C2 ZINC001274075733 931160391 /nfs/dbraw/zinc/16/03/91/931160391.db2.gz RVDJGCGPASVKTH-UHFFFAOYSA-N 1 2 292.404 1.656 20 30 CDEDLO N#Cc1cncc(C[N@H+]2CCC[C@@H](NC(=O)C3CC3)C2)c1 ZINC001144085177 931653892 /nfs/dbraw/zinc/65/38/92/931653892.db2.gz VYMAQRQKCVDEIG-OAHLLOKOSA-N 1 2 284.363 1.444 20 30 CDEDLO N#Cc1cncc(C[N@@H+]2CCC[C@@H](NC(=O)C3CC3)C2)c1 ZINC001144085177 931653895 /nfs/dbraw/zinc/65/38/95/931653895.db2.gz VYMAQRQKCVDEIG-OAHLLOKOSA-N 1 2 284.363 1.444 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](O)c2ccccc2C)CC1 ZINC001144526935 931884474 /nfs/dbraw/zinc/88/44/74/931884474.db2.gz LJFQKIZGAUXEGH-OAHLLOKOSA-N 1 2 274.364 1.359 20 30 CDEDLO Cn1cc(CN2CCC23C[NH+](Cc2ccoc2)C3)cc1C#N ZINC001275943489 932158094 /nfs/dbraw/zinc/15/80/94/932158094.db2.gz JINMSMFLPRLTTB-UHFFFAOYSA-N 1 2 296.374 1.950 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc3[nH]ccc3cn2)CC1 ZINC001154961415 937612518 /nfs/dbraw/zinc/61/25/18/937612518.db2.gz KUNUMLLYWMOKGJ-UHFFFAOYSA-N 1 2 270.336 1.507 20 30 CDEDLO C=CCCC(=O)NCCCN(C)c1cc[nH+]c(C)n1 ZINC001095495802 932617857 /nfs/dbraw/zinc/61/78/57/932617857.db2.gz GSLHQUQBDOVIDJ-UHFFFAOYSA-N 1 2 262.357 1.694 20 30 CDEDLO C=CC[NH+]1CCN([C@@H]2CC[C@@H](C(=O)OCC)C2)CC1 ZINC001257064763 932739946 /nfs/dbraw/zinc/73/99/46/932739946.db2.gz XNDYKAAMKLRTAQ-ZIAGYGMSSA-N 1 2 266.385 1.522 20 30 CDEDLO CCOC(=O)c1c[nH+]c(N)n1C1=CC[C@H](C#N)CC1 ZINC001212855047 934221264 /nfs/dbraw/zinc/22/12/64/934221264.db2.gz QWNZOEKOCHXIEH-VIFPVBQESA-N 1 2 260.297 1.807 20 30 CDEDLO Cc1nc(NC[C@H]2C[C@H](NC(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001114748860 934951597 /nfs/dbraw/zinc/95/15/97/934951597.db2.gz LKZCDXYFWDXHRD-DLOVCJGASA-N 1 2 273.340 1.251 20 30 CDEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)on1 ZINC001018189015 935662662 /nfs/dbraw/zinc/66/26/62/935662662.db2.gz HDAGGSIQLXAOHN-TXEJJXNPSA-N 1 2 275.352 1.712 20 30 CDEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)on1 ZINC001018189015 935662664 /nfs/dbraw/zinc/66/26/64/935662664.db2.gz HDAGGSIQLXAOHN-TXEJJXNPSA-N 1 2 275.352 1.712 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)c(OCC)c1 ZINC001038764599 935755779 /nfs/dbraw/zinc/75/57/79/935755779.db2.gz QZKQFTYGYHHGSR-OAHLLOKOSA-N 1 2 286.375 1.831 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)c(OCC)c1 ZINC001038764599 935755780 /nfs/dbraw/zinc/75/57/80/935755780.db2.gz QZKQFTYGYHHGSR-OAHLLOKOSA-N 1 2 286.375 1.831 20 30 CDEDLO COC[C@H](C#N)OC(=O)C[N@H+](C)Cc1ccccc1 ZINC001123095912 936114062 /nfs/dbraw/zinc/11/40/62/936114062.db2.gz DOBSGYSZYHEYDV-ZDUSSCGKSA-N 1 2 262.309 1.200 20 30 CDEDLO COC[C@H](C#N)OC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001123095912 936114064 /nfs/dbraw/zinc/11/40/64/936114064.db2.gz DOBSGYSZYHEYDV-ZDUSSCGKSA-N 1 2 262.309 1.200 20 30 CDEDLO COC(=O)c1ccc2c(ccnc2N2CC[NH2+]C[C@@H]2C#N)c1 ZINC001156320079 938351417 /nfs/dbraw/zinc/35/14/17/938351417.db2.gz PROGDDNDPPBIJP-ZDUSSCGKSA-N 1 2 296.330 1.323 20 30 CDEDLO Cc1nc(-c2ccncc2)cc(N2CC[NH2+]C[C@@H]2C#N)n1 ZINC001156333194 938353799 /nfs/dbraw/zinc/35/37/99/938353799.db2.gz WHWWSKJMZJALPU-ZDUSSCGKSA-N 1 2 280.335 1.149 20 30 CDEDLO CCOC(=O)CN(CCC#N)c1cc2[nH]ccc2c[nH+]1 ZINC001157151113 938460054 /nfs/dbraw/zinc/46/00/54/938460054.db2.gz HCKQHLWBJVTOOQ-UHFFFAOYSA-N 1 2 272.308 1.846 20 30 CDEDLO CCN(CCn1cc[nH+]c1)c1ncc(C)nc1C#N ZINC001157467056 938497639 /nfs/dbraw/zinc/49/76/39/938497639.db2.gz UDJVABCZZYSSIN-UHFFFAOYSA-N 1 2 256.313 1.380 20 30 CDEDLO C#CCN(CC#C)c1[nH+]c(C)cc(C)c1C(=O)OC ZINC001157560895 938511800 /nfs/dbraw/zinc/51/18/00/938511800.db2.gz KHEXAQHBJYZEKA-UHFFFAOYSA-N 1 2 256.305 1.558 20 30 CDEDLO N#Cc1ncc(NCCc2cn3ccccc3[nH+]2)nc1C#N ZINC001158145190 938587256 /nfs/dbraw/zinc/58/72/56/938587256.db2.gz JZINIOYQHOZCQC-UHFFFAOYSA-N 1 2 289.302 1.522 20 30 CDEDLO C=C[C@@H](CO)Nc1[nH+]cc(C)cc1C(OC)OC ZINC001158818328 938666203 /nfs/dbraw/zinc/66/62/03/938666203.db2.gz ZNEFYBGCTDPUIB-JTQLQIEISA-N 1 2 252.314 1.640 20 30 CDEDLO Cc1nc(-n2cncn2)cc(NCC(C)(C)S)[nH+]1 ZINC001159269737 938716980 /nfs/dbraw/zinc/71/69/80/938716980.db2.gz QQYXRHVDNNNUBU-UHFFFAOYSA-N 1 2 264.358 1.486 20 30 CDEDLO CN(C)C(=O)N1CCC[C@@H](Nc2cc(CC#N)cc[nH+]2)C1 ZINC001160331496 938780873 /nfs/dbraw/zinc/78/08/73/938780873.db2.gz USWWRRGOLAYMNY-CYBMUJFWSA-N 1 2 287.367 1.706 20 30 CDEDLO N#CCN1CC=C(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001160330685 938781122 /nfs/dbraw/zinc/78/11/22/938781122.db2.gz HTBUGEZIBBKJFG-UHFFFAOYSA-N 1 2 287.367 1.004 20 30 CDEDLO N#CCN1CC=C(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001160330685 938781125 /nfs/dbraw/zinc/78/11/25/938781125.db2.gz HTBUGEZIBBKJFG-UHFFFAOYSA-N 1 2 287.367 1.004 20 30 CDEDLO COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1cc(C)c(C#N)cn1 ZINC001160692155 938815541 /nfs/dbraw/zinc/81/55/41/938815541.db2.gz DUEJBGXOMYGTMO-ZDUSSCGKSA-N 1 2 299.334 1.191 20 30 CDEDLO C[N@H+]1CCO[C@H](CNc2nc(C#N)ccc2Cl)C1 ZINC001162693639 939120375 /nfs/dbraw/zinc/12/03/75/939120375.db2.gz HPEFYBHESUMWKP-SNVBAGLBSA-N 1 2 266.732 1.349 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNc2nc(C#N)ccc2Cl)C1 ZINC001162693639 939120373 /nfs/dbraw/zinc/12/03/73/939120373.db2.gz HPEFYBHESUMWKP-SNVBAGLBSA-N 1 2 266.732 1.349 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNc2nc(C#N)ccc2Cl)C1 ZINC001162693638 939120681 /nfs/dbraw/zinc/12/06/81/939120681.db2.gz HPEFYBHESUMWKP-JTQLQIEISA-N 1 2 266.732 1.349 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNc2nc(C#N)ccc2Cl)C1 ZINC001162693638 939120683 /nfs/dbraw/zinc/12/06/83/939120683.db2.gz HPEFYBHESUMWKP-JTQLQIEISA-N 1 2 266.732 1.349 20 30 CDEDLO COc1ccc2nc(N3CC[NH2+]C[C@H]3C#N)cc(C)c2c1 ZINC001164651662 939501858 /nfs/dbraw/zinc/50/18/58/939501858.db2.gz KHCIYXINCHZSBA-GFCCVEGCSA-N 1 2 282.347 1.854 20 30 CDEDLO N#Cc1ccc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)cc1 ZINC001203905653 939713179 /nfs/dbraw/zinc/71/31/79/939713179.db2.gz YVKXUGSGDGDXSZ-AWEZNQCLSA-N 1 2 259.328 1.786 20 30 CDEDLO N#Cc1ccc(CN2CC([N@H+]3CC[C@H](F)C3)C2)cc1 ZINC001203905653 939713180 /nfs/dbraw/zinc/71/31/80/939713180.db2.gz YVKXUGSGDGDXSZ-AWEZNQCLSA-N 1 2 259.328 1.786 20 30 CDEDLO N#Cc1ccc(C[NH+]2CC(N3CC[C@H](F)C3)C2)cc1 ZINC001203905653 939713183 /nfs/dbraw/zinc/71/31/83/939713183.db2.gz YVKXUGSGDGDXSZ-AWEZNQCLSA-N 1 2 259.328 1.786 20 30 CDEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ncc[nH]1)CC2 ZINC001203975260 939717564 /nfs/dbraw/zinc/71/75/64/939717564.db2.gz KIRXIFPTWJGCDC-UHFFFAOYSA-N 1 2 287.367 1.404 20 30 CDEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ncc[nH]1)CC2 ZINC001203975260 939717565 /nfs/dbraw/zinc/71/75/65/939717565.db2.gz KIRXIFPTWJGCDC-UHFFFAOYSA-N 1 2 287.367 1.404 20 30 CDEDLO C=CC[NH2+]CC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001205345685 939884399 /nfs/dbraw/zinc/88/43/99/939884399.db2.gz VQWJCWIKIYOJOU-SNVBAGLBSA-N 1 2 282.281 1.901 20 30 CDEDLO C=CC[NH2+]CC1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001205345685 939884402 /nfs/dbraw/zinc/88/44/02/939884402.db2.gz VQWJCWIKIYOJOU-SNVBAGLBSA-N 1 2 282.281 1.901 20 30 CDEDLO N#CCNCC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001205679687 939916594 /nfs/dbraw/zinc/91/65/94/939916594.db2.gz MOXXYHXARINFCE-UHFFFAOYSA-N 1 2 297.362 1.300 20 30 CDEDLO Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C2)o1 ZINC001206640140 940075044 /nfs/dbraw/zinc/07/50/44/940075044.db2.gz DYBGNCKOGOSRFJ-HOSYDEDBSA-N 1 2 276.340 1.079 20 30 CDEDLO Cc1cnc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C2)o1 ZINC001206640140 940075047 /nfs/dbraw/zinc/07/50/47/940075047.db2.gz DYBGNCKOGOSRFJ-HOSYDEDBSA-N 1 2 276.340 1.079 20 30 CDEDLO CC(C)C#CC(=O)N1CCC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001207996004 940275227 /nfs/dbraw/zinc/27/52/27/940275227.db2.gz WLTPDQXEXIAHIC-GFCCVEGCSA-N 1 2 292.408 1.278 20 30 CDEDLO C=CCC[C@H](C)[N@H+]1C[C@@](O)(C(F)(F)F)C[C@@H]1C(=O)OC ZINC001258725314 945392551 /nfs/dbraw/zinc/39/25/51/945392551.db2.gz KCZGSTGRULYHNQ-HOSYDEDBSA-N 1 2 295.301 1.882 20 30 CDEDLO C=CCC[C@H](C)[N@@H+]1C[C@@](O)(C(F)(F)F)C[C@@H]1C(=O)OC ZINC001258725314 945392555 /nfs/dbraw/zinc/39/25/55/945392555.db2.gz KCZGSTGRULYHNQ-HOSYDEDBSA-N 1 2 295.301 1.882 20 30 CDEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1OC ZINC001213310196 940768420 /nfs/dbraw/zinc/76/84/20/940768420.db2.gz HBJQKSMHEWMSMG-BIYBCCJYSA-N 1 2 298.814 1.748 20 30 CDEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1OC ZINC001213310196 940768422 /nfs/dbraw/zinc/76/84/22/940768422.db2.gz HBJQKSMHEWMSMG-BIYBCCJYSA-N 1 2 298.814 1.748 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H](CC)C(C)C)[C@H]2C1 ZINC001219000920 941300393 /nfs/dbraw/zinc/30/03/93/941300393.db2.gz GUNCPJGAKKKKQG-HRCADAONSA-N 1 2 292.423 1.604 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H](CC)C(C)C)[C@H]2C1 ZINC001219000920 941300396 /nfs/dbraw/zinc/30/03/96/941300396.db2.gz GUNCPJGAKKKKQG-HRCADAONSA-N 1 2 292.423 1.604 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(F)c(F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225314200 941843459 /nfs/dbraw/zinc/84/34/59/941843459.db2.gz ZRWLNYMPEAFGFW-UBYSCORNSA-N 1 2 267.275 1.956 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(F)c(F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225314200 941843461 /nfs/dbraw/zinc/84/34/61/941843461.db2.gz ZRWLNYMPEAFGFW-UBYSCORNSA-N 1 2 267.275 1.956 20 30 CDEDLO CN(C)C(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1cc(F)cc(C#N)c1 ZINC001277126946 942001750 /nfs/dbraw/zinc/00/17/50/942001750.db2.gz UVKQBJNWRGZKRJ-CJNGLKHVSA-N 1 2 287.338 1.750 20 30 CDEDLO CN(C)C(=O)[C@]12C[C@H]1CC[N@H+]2Cc1cc(F)cc(C#N)c1 ZINC001277126946 942001752 /nfs/dbraw/zinc/00/17/52/942001752.db2.gz UVKQBJNWRGZKRJ-CJNGLKHVSA-N 1 2 287.338 1.750 20 30 CDEDLO Cc1cnc(C[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)s1 ZINC001226625508 942036365 /nfs/dbraw/zinc/03/63/65/942036365.db2.gz LFLBBHHKQRTXKM-SNVBAGLBSA-N 1 2 292.408 1.692 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)Oc1cc(C#N)ccc1O ZINC001227345214 942168059 /nfs/dbraw/zinc/16/80/59/942168059.db2.gz LSPNIJRRQNNFGF-LLVKDONJSA-N 1 2 262.309 1.363 20 30 CDEDLO COc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cc1F ZINC001228063963 942264566 /nfs/dbraw/zinc/26/45/66/942264566.db2.gz NUOYXSGJSYAZHE-HJTUNCCVSA-N 1 2 279.311 1.826 20 30 CDEDLO COc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cc1F ZINC001228063963 942264569 /nfs/dbraw/zinc/26/45/69/942264569.db2.gz NUOYXSGJSYAZHE-HJTUNCCVSA-N 1 2 279.311 1.826 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2cc(F)c(C#N)c(F)c2)C1 ZINC001228223621 942282559 /nfs/dbraw/zinc/28/25/59/942282559.db2.gz MBKIWQBFMFPBPN-SNVBAGLBSA-N 1 2 268.263 1.546 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2cc(F)c(C#N)c(F)c2)C1 ZINC001228223621 942282561 /nfs/dbraw/zinc/28/25/61/942282561.db2.gz MBKIWQBFMFPBPN-SNVBAGLBSA-N 1 2 268.263 1.546 20 30 CDEDLO CC(C)Oc1cncc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001229519227 942486195 /nfs/dbraw/zinc/48/61/95/942486195.db2.gz AOOFDGHZYFJEKL-BDOHNGBXSA-N 1 2 290.363 1.860 20 30 CDEDLO CC(C)Oc1cncc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001229519227 942486197 /nfs/dbraw/zinc/48/61/97/942486197.db2.gz AOOFDGHZYFJEKL-BDOHNGBXSA-N 1 2 290.363 1.860 20 30 CDEDLO CCOCCC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230533233 942633226 /nfs/dbraw/zinc/63/32/26/942633226.db2.gz IXQXEZVXTDUVKC-OAHLLOKOSA-N 1 2 293.411 1.640 20 30 CDEDLO CCOCCC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001230533233 942633228 /nfs/dbraw/zinc/63/32/28/942633228.db2.gz IXQXEZVXTDUVKC-OAHLLOKOSA-N 1 2 293.411 1.640 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C)o1 ZINC001230658495 942668471 /nfs/dbraw/zinc/66/84/71/942668471.db2.gz AHDOXSVWIPXDHA-AWEZNQCLSA-N 1 2 290.363 1.384 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C)o1 ZINC001230658495 942668472 /nfs/dbraw/zinc/66/84/72/942668472.db2.gz AHDOXSVWIPXDHA-AWEZNQCLSA-N 1 2 290.363 1.384 20 30 CDEDLO C[C@@H]1CNC(=O)C[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC001231820659 943025054 /nfs/dbraw/zinc/02/50/54/943025054.db2.gz RCAPOOPIPZLQIK-CYBMUJFWSA-N 1 2 286.379 1.357 20 30 CDEDLO C[C@@H]1CNC(=O)C[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC001231820659 943025059 /nfs/dbraw/zinc/02/50/59/943025059.db2.gz RCAPOOPIPZLQIK-CYBMUJFWSA-N 1 2 286.379 1.357 20 30 CDEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)c1 ZINC001232675641 943357785 /nfs/dbraw/zinc/35/77/85/943357785.db2.gz RREPQHFPPSBSDJ-CQSZACIVSA-N 1 2 288.347 1.380 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001232888733 943426248 /nfs/dbraw/zinc/42/62/48/943426248.db2.gz NABWMKKZKVYNNQ-ZIAGYGMSSA-N 1 2 266.291 1.992 20 30 CDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001232888733 943426251 /nfs/dbraw/zinc/42/62/51/943426251.db2.gz NABWMKKZKVYNNQ-ZIAGYGMSSA-N 1 2 266.291 1.992 20 30 CDEDLO CC(C)C(=O)N(C)C1CC[NH+](Cc2[nH]ccc2C#N)CC1 ZINC001233049053 943475775 /nfs/dbraw/zinc/47/57/75/943475775.db2.gz WCHDWQWUSQWDJV-UHFFFAOYSA-N 1 2 288.395 1.965 20 30 CDEDLO COc1ccnc(O[C@H]2CC[N@H+](Cc3[nH]ccc3C#N)C2)c1 ZINC001233048362 943476145 /nfs/dbraw/zinc/47/61/45/943476145.db2.gz CTIAPJOCTDAVSI-AWEZNQCLSA-N 1 2 298.346 1.943 20 30 CDEDLO COc1ccnc(O[C@H]2CC[N@@H+](Cc3[nH]ccc3C#N)C2)c1 ZINC001233048362 943476146 /nfs/dbraw/zinc/47/61/46/943476146.db2.gz CTIAPJOCTDAVSI-AWEZNQCLSA-N 1 2 298.346 1.943 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(N(C)C)nc2F)CC1 ZINC001233118496 943493814 /nfs/dbraw/zinc/49/38/14/943493814.db2.gz KFIFLQXABBURHS-UHFFFAOYSA-N 1 2 276.359 1.038 20 30 CDEDLO C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC[N@@H+]2C)n1C ZINC001262858301 943704193 /nfs/dbraw/zinc/70/41/93/943704193.db2.gz YSLWSQAUUZRTTI-MNOVXSKESA-N 1 2 262.361 1.320 20 30 CDEDLO C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC[N@H+]2C)n1C ZINC001262858301 943704199 /nfs/dbraw/zinc/70/41/99/943704199.db2.gz YSLWSQAUUZRTTI-MNOVXSKESA-N 1 2 262.361 1.320 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001234614516 943917818 /nfs/dbraw/zinc/91/78/18/943917818.db2.gz SXMYHILQNYRCSQ-STQMWFEESA-N 1 2 281.400 1.010 20 30 CDEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001234614516 943917821 /nfs/dbraw/zinc/91/78/21/943917821.db2.gz SXMYHILQNYRCSQ-STQMWFEESA-N 1 2 281.400 1.010 20 30 CDEDLO N#CCC[N@@H+]1CCCC2(CN(Cc3ccc[nH]3)C2)C1 ZINC001277939035 944132376 /nfs/dbraw/zinc/13/23/76/944132376.db2.gz LWLUIWJVTPOXMF-UHFFFAOYSA-N 1 2 258.369 1.826 20 30 CDEDLO N#CCC[N@H+]1CCCC2(CN(Cc3ccc[nH]3)C2)C1 ZINC001277939035 944132378 /nfs/dbraw/zinc/13/23/78/944132378.db2.gz LWLUIWJVTPOXMF-UHFFFAOYSA-N 1 2 258.369 1.826 20 30 CDEDLO CC(C)NC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC#N)C2 ZINC001277941645 944138858 /nfs/dbraw/zinc/13/88/58/944138858.db2.gz SSXRPFWYMACBIT-HNNXBMFYSA-N 1 2 278.400 1.806 20 30 CDEDLO CC(C)NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC#N)C2 ZINC001277941645 944138862 /nfs/dbraw/zinc/13/88/62/944138862.db2.gz SSXRPFWYMACBIT-HNNXBMFYSA-N 1 2 278.400 1.806 20 30 CDEDLO CC(=O)N1CCC2(C[NH+](Cc3ccnc(C#N)c3)C2)C1 ZINC001237466021 944797562 /nfs/dbraw/zinc/79/75/62/944797562.db2.gz QFPRXWLMTPHFPQ-UHFFFAOYSA-N 1 2 270.336 1.007 20 30 CDEDLO C[C@@]1(CO)CC[N@H+](Cc2cc(C#N)c(F)cc2F)C[C@@H]1O ZINC001237525114 944824981 /nfs/dbraw/zinc/82/49/81/944824981.db2.gz OLZFDOXFAQHVMV-GJZGRUSLSA-N 1 2 296.317 1.402 20 30 CDEDLO C[C@@]1(CO)CC[N@@H+](Cc2cc(C#N)c(F)cc2F)C[C@@H]1O ZINC001237525114 944824985 /nfs/dbraw/zinc/82/49/85/944824985.db2.gz OLZFDOXFAQHVMV-GJZGRUSLSA-N 1 2 296.317 1.402 20 30 CDEDLO COC(C[N@H+](C)Cc1cc(C#N)c(F)cc1F)OC ZINC001237534825 944827088 /nfs/dbraw/zinc/82/70/88/944827088.db2.gz RRIGQRBGMVOGIB-UHFFFAOYSA-N 1 2 270.279 1.887 20 30 CDEDLO COC(C[N@@H+](C)Cc1cc(C#N)c(F)cc1F)OC ZINC001237534825 944827091 /nfs/dbraw/zinc/82/70/91/944827091.db2.gz RRIGQRBGMVOGIB-UHFFFAOYSA-N 1 2 270.279 1.887 20 30 CDEDLO N#C[C@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254603994 947552222 /nfs/dbraw/zinc/55/22/22/947552222.db2.gz ROBYIGHBGGZDPQ-YGRLFVJLSA-N 1 2 257.293 1.907 20 30 CDEDLO N#C[C@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254603994 947552226 /nfs/dbraw/zinc/55/22/26/947552226.db2.gz ROBYIGHBGGZDPQ-YGRLFVJLSA-N 1 2 257.293 1.907 20 30 CDEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(c3nccnc3Cl)CC2)C1 ZINC001254660270 947577205 /nfs/dbraw/zinc/57/72/05/947577205.db2.gz HCVIQGKOPSRKSZ-NWDGAFQWSA-N 1 2 291.786 1.944 20 30 CDEDLO CCOCc1ncn2c1C[N@@H+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC001254666495 947579746 /nfs/dbraw/zinc/57/97/46/947579746.db2.gz VRTZGIDJJCGBPN-OLZOCXBDSA-N 1 2 274.368 1.927 20 30 CDEDLO CCOCc1ncn2c1C[N@H+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC001254666495 947579752 /nfs/dbraw/zinc/57/97/52/947579752.db2.gz VRTZGIDJJCGBPN-OLZOCXBDSA-N 1 2 274.368 1.927 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@@H](NC(=O)c2ccccn2)C1 ZINC001255176877 947765816 /nfs/dbraw/zinc/76/58/16/947765816.db2.gz HNBOJSGRWKGCLT-ZIAGYGMSSA-N 1 2 286.379 1.968 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CCC[C@@H](NC(=O)c2ccccn2)C1 ZINC001255176877 947765822 /nfs/dbraw/zinc/76/58/22/947765822.db2.gz HNBOJSGRWKGCLT-ZIAGYGMSSA-N 1 2 286.379 1.968 20 30 CDEDLO C=C[C@H]1C[C@]1([NH2+]C1CCC2(CC1)OCCO2)C(=O)OCC ZINC001255617610 948033588 /nfs/dbraw/zinc/03/35/88/948033588.db2.gz PFSXWXSBDKYJDQ-BLLLJJGKSA-N 1 2 295.379 1.770 20 30 CDEDLO C=CC[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)C(=O)OC ZINC001256050727 948184250 /nfs/dbraw/zinc/18/42/50/948184250.db2.gz RKCIYSOGTRDCOE-CYBMUJFWSA-N 1 2 290.367 1.153 20 30 CDEDLO COc1cccc(C[C@@H](C)N2CC[NH2+]C[C@H]2C#N)c1 ZINC001256159895 948220018 /nfs/dbraw/zinc/22/00/18/948220018.db2.gz KMHRHLCCFXMRID-TZMCWYRMSA-N 1 2 259.353 1.424 20 30 CDEDLO CC(C)(C)OC(=O)N1CCC(N2CC[NH2+]C[C@@H]2C#N)CC1 ZINC001256289176 948262557 /nfs/dbraw/zinc/26/25/57/948262557.db2.gz FGSFHKXXJKWHBK-ZDUSSCGKSA-N 1 2 294.399 1.183 20 30 CDEDLO C=CC[C@H]([NH2+][C@H]1CC[C@@H](C(=O)OCC)C1)C(=O)OC ZINC001257030564 948487365 /nfs/dbraw/zinc/48/73/65/948487365.db2.gz VAMXSWILGLDHGM-WOPDTQHZSA-N 1 2 269.341 1.426 20 30 CDEDLO C=C1C[C@@H]2CC([NH2+][C@H](C(=O)OC)[C@@H](C)O)C[C@H](C1)C2 ZINC001257887021 948656506 /nfs/dbraw/zinc/65/65/06/948656506.db2.gz SZFPLJAISVDXDB-YIPFDTCYSA-N 1 2 267.369 1.633 20 30 CDEDLO CCOC(=O)C1CCC(O)(C[N@@H+]2CCCC[C@H]2C#N)CC1 ZINC001251057758 950583638 /nfs/dbraw/zinc/58/36/38/950583638.db2.gz JLFLNVNMYRPJOX-BBBYJDLNSA-N 1 2 294.395 1.849 20 30 CDEDLO CCOC(=O)C1CCC(O)(C[N@H+]2CCCC[C@H]2C#N)CC1 ZINC001251057758 950583654 /nfs/dbraw/zinc/58/36/54/950583654.db2.gz JLFLNVNMYRPJOX-BBBYJDLNSA-N 1 2 294.395 1.849 20 30 CDEDLO C=CCOC[C@@H](O)C[NH2+][C@@H](CC1CCC1)C(=O)OCC ZINC001252490677 951358830 /nfs/dbraw/zinc/35/88/30/951358830.db2.gz BPQGOFJPMRGSOL-KBPBESRZSA-N 1 2 285.384 1.261 20 30 CDEDLO C=C[C@](C)(O)CN1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001252558223 951452940 /nfs/dbraw/zinc/45/29/40/951452940.db2.gz RRJAZMHZOPKUHY-OLZOCXBDSA-N 1 2 274.355 1.729 20 30 CDEDLO N#C[C@@]1(C(=O)NCCc2[nH]cc[nH+]2)CC12CCCC2 ZINC001293565945 954385176 /nfs/dbraw/zinc/38/51/76/954385176.db2.gz QUKIEFFUUBRETJ-CQSZACIVSA-N 1 2 258.325 1.542 20 30 CDEDLO CC(C)n1ccc(C[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N)n1 ZINC001422152991 955790798 /nfs/dbraw/zinc/79/07/98/955790798.db2.gz QLGMWFMYSWAJSX-ZDUSSCGKSA-N 1 2 291.399 1.514 20 30 CDEDLO CC(C)n1ccc(C[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N)n1 ZINC001422152991 955790808 /nfs/dbraw/zinc/79/08/08/955790808.db2.gz QLGMWFMYSWAJSX-ZDUSSCGKSA-N 1 2 291.399 1.514 20 30 CDEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)C2CCC2)CC1 ZINC001494088603 972174029 /nfs/dbraw/zinc/17/40/29/972174029.db2.gz ZPWCMVBMEDNFCQ-UHFFFAOYSA-N 1 2 299.846 1.615 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccnn1CC ZINC001422810370 956379478 /nfs/dbraw/zinc/37/94/78/956379478.db2.gz PQHBOBRAQIEVQJ-NSHDSACASA-N 1 2 284.791 1.706 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccnn1CC ZINC001422810370 956379489 /nfs/dbraw/zinc/37/94/89/956379489.db2.gz PQHBOBRAQIEVQJ-NSHDSACASA-N 1 2 284.791 1.706 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCc1ccnn1C ZINC001422838158 956397006 /nfs/dbraw/zinc/39/70/06/956397006.db2.gz YGAMSUMRKCHXBB-LBPRGKRZSA-N 1 2 298.818 1.542 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCc1ccnn1C ZINC001422838158 956397020 /nfs/dbraw/zinc/39/70/20/956397020.db2.gz YGAMSUMRKCHXBB-LBPRGKRZSA-N 1 2 298.818 1.542 20 30 CDEDLO C#CC[N@@H+](Cc1csc(CC(=O)NC)n1)CC1CC1 ZINC001307589223 956422939 /nfs/dbraw/zinc/42/29/39/956422939.db2.gz UAVPCXPAFGZUFR-UHFFFAOYSA-N 1 2 277.393 1.277 20 30 CDEDLO C#CC[N@H+](Cc1csc(CC(=O)NC)n1)CC1CC1 ZINC001307589223 956422946 /nfs/dbraw/zinc/42/29/46/956422946.db2.gz UAVPCXPAFGZUFR-UHFFFAOYSA-N 1 2 277.393 1.277 20 30 CDEDLO CCn1cnc(Cl)c1C[NH2+][C@H]1CCCN(O)C1=O ZINC001308843441 956590052 /nfs/dbraw/zinc/59/00/52/956590052.db2.gz LJLSKGYBPFPKDE-QMMMGPOBSA-N 1 2 272.736 1.026 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC001313445066 956862079 /nfs/dbraw/zinc/86/20/79/956862079.db2.gz RDEBZAJLALPING-LBPRGKRZSA-N 1 2 274.368 1.160 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccc(C)[nH]c1=O ZINC001366633310 957064163 /nfs/dbraw/zinc/06/41/63/957064163.db2.gz GSBJQEDDUXOTLB-UHFFFAOYSA-N 1 2 297.786 1.900 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccc(C)[nH]c1=O ZINC001366633310 957064176 /nfs/dbraw/zinc/06/41/76/957064176.db2.gz GSBJQEDDUXOTLB-UHFFFAOYSA-N 1 2 297.786 1.900 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@H](C)C#N)[C@@H](C)c1nc(C)no1 ZINC001366709828 957132141 /nfs/dbraw/zinc/13/21/41/957132141.db2.gz WINOYMVMODQCIT-MNOVXSKESA-N 1 2 293.371 1.427 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@H](C)C#N)[C@@H](C)c1nc(C)no1 ZINC001366709828 957132145 /nfs/dbraw/zinc/13/21/45/957132145.db2.gz WINOYMVMODQCIT-MNOVXSKESA-N 1 2 293.371 1.427 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ccccc1O ZINC001317438040 957471147 /nfs/dbraw/zinc/47/11/47/957471147.db2.gz AITHJZGJIKOSGT-UHFFFAOYSA-N 1 2 268.744 1.806 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccccc1O ZINC001317438040 957471148 /nfs/dbraw/zinc/47/11/48/957471148.db2.gz AITHJZGJIKOSGT-UHFFFAOYSA-N 1 2 268.744 1.806 20 30 CDEDLO C[C@@H](C#N)C(=O)NCc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC001367199017 957838919 /nfs/dbraw/zinc/83/89/19/957838919.db2.gz BXGBRSAAUCVBIA-LBPRGKRZSA-N 1 2 298.346 1.740 20 30 CDEDLO C=CCn1cnn(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c1=S ZINC001319547081 958621779 /nfs/dbraw/zinc/62/17/79/958621779.db2.gz RGKATGWIYHHFLP-VXGBXAGGSA-N 1 2 282.413 1.793 20 30 CDEDLO C=CCn1cnn(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c1=S ZINC001319547081 958621784 /nfs/dbraw/zinc/62/17/84/958621784.db2.gz RGKATGWIYHHFLP-VXGBXAGGSA-N 1 2 282.413 1.793 20 30 CDEDLO CC(C)[N@@H+](C)CC[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001336775286 960572541 /nfs/dbraw/zinc/57/25/41/960572541.db2.gz ZJTCAQVLCQATAY-UHFFFAOYSA-N 1 2 288.395 1.817 20 30 CDEDLO Cc1nc([C@@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H](C)C#N)C2)no1 ZINC001418690663 960912339 /nfs/dbraw/zinc/91/23/39/960912339.db2.gz WYCRQWVWCLGBQE-CNVPUSNMSA-N 1 2 291.355 1.083 20 30 CDEDLO C[C@H]1COCC[N@@H+]1CCNc1cccc(CC#N)n1 ZINC001324086359 961157750 /nfs/dbraw/zinc/15/77/50/961157750.db2.gz VEGSFNYCFMUCMK-LBPRGKRZSA-N 1 2 260.341 1.280 20 30 CDEDLO C[C@H]1COCC[N@H+]1CCNc1cccc(CC#N)n1 ZINC001324086359 961157756 /nfs/dbraw/zinc/15/77/56/961157756.db2.gz VEGSFNYCFMUCMK-LBPRGKRZSA-N 1 2 260.341 1.280 20 30 CDEDLO C[NH+]1CCN(N=Cc2ccc(N)cc2Cl)CC1 ZINC001324129083 961185519 /nfs/dbraw/zinc/18/55/19/961185519.db2.gz RYNBGCPMAXGCLC-UHFFFAOYSA-N 1 2 252.749 1.504 20 30 CDEDLO C=C(C[NH+](C)C)C(=O)N=[S@@](C)(=O)c1cccc(F)c1 ZINC001337590722 961293734 /nfs/dbraw/zinc/29/37/34/961293734.db2.gz DXEZDZXLBZYGTE-IBGZPJMESA-N 1 2 284.356 1.927 20 30 CDEDLO C[N@H+](CCNC(=O)Cc1ccoc1)Cc1ccccc1C#N ZINC001420215260 962590089 /nfs/dbraw/zinc/59/00/89/962590089.db2.gz PYNSZYYIBSHJJE-UHFFFAOYSA-N 1 2 297.358 1.942 20 30 CDEDLO C[N@@H+](CCNC(=O)Cc1ccoc1)Cc1ccccc1C#N ZINC001420215260 962590110 /nfs/dbraw/zinc/59/01/10/962590110.db2.gz PYNSZYYIBSHJJE-UHFFFAOYSA-N 1 2 297.358 1.942 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C1(COC)CC1 ZINC001420470522 962950134 /nfs/dbraw/zinc/95/01/34/962950134.db2.gz QSSBKAJKWDTYKT-GFCCVEGCSA-N 1 2 286.803 1.746 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(COC)CC1 ZINC001420470522 962950139 /nfs/dbraw/zinc/95/01/39/962950139.db2.gz QSSBKAJKWDTYKT-GFCCVEGCSA-N 1 2 286.803 1.746 20 30 CDEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)CC(C)C ZINC001340595127 963020007 /nfs/dbraw/zinc/02/00/07/963020007.db2.gz WXNCWLCVBOJQOF-UHFFFAOYSA-N 1 2 288.399 1.881 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCOC(C)C ZINC001420545381 963041561 /nfs/dbraw/zinc/04/15/61/963041561.db2.gz LPVJOXPTOOVBQU-LBPRGKRZSA-N 1 2 276.808 1.991 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCOC(C)C ZINC001420545381 963041576 /nfs/dbraw/zinc/04/15/76/963041576.db2.gz LPVJOXPTOOVBQU-LBPRGKRZSA-N 1 2 276.808 1.991 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@]1(C)CCCOC1 ZINC001438930703 963603395 /nfs/dbraw/zinc/60/33/95/963603395.db2.gz JYLOPTLXVRRCOB-CQSZACIVSA-N 1 2 288.819 1.946 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@]1(C)CCCOC1 ZINC001438930703 963603399 /nfs/dbraw/zinc/60/33/99/963603399.db2.gz JYLOPTLXVRRCOB-CQSZACIVSA-N 1 2 288.819 1.946 20 30 CDEDLO Cn1ncc2c1nc[nH+]c2NCCc1ccc(C#N)cc1 ZINC001559234908 965417585 /nfs/dbraw/zinc/41/75/85/965417585.db2.gz FUHKBAAJTKZELC-UHFFFAOYSA-N 1 2 278.319 1.890 20 30 CDEDLO C=CCn1cc(C(=O)OCc2c[nH+]cn2CC)nn1 ZINC001347973624 965772310 /nfs/dbraw/zinc/77/23/10/965772310.db2.gz UXMUZOQQKGSQJM-UHFFFAOYSA-N 1 2 261.285 1.038 20 30 CDEDLO C=CC[C@H](CC)NC(=O)C(=O)NCc1c[nH+]c(C)cc1C ZINC001348705390 966140690 /nfs/dbraw/zinc/14/06/90/966140690.db2.gz ORXBPUDWDHQXIA-AWEZNQCLSA-N 1 2 289.379 1.786 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1c[nH]nc1CC ZINC001445767565 966327386 /nfs/dbraw/zinc/32/73/86/966327386.db2.gz VAVQSLLXEZBOEI-SNVBAGLBSA-N 1 2 284.791 1.775 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1c[nH]nc1CC ZINC001445767565 966327398 /nfs/dbraw/zinc/32/73/98/966327398.db2.gz VAVQSLLXEZBOEI-SNVBAGLBSA-N 1 2 284.791 1.775 20 30 CDEDLO CC[NH+](CC)Cc1csc(NC(=O)C#CCOC)n1 ZINC001350756371 966751903 /nfs/dbraw/zinc/75/19/03/966751903.db2.gz JGMMKZQPUOAPDG-UHFFFAOYSA-N 1 2 281.381 1.573 20 30 CDEDLO C=C(C)Cn1nnnc1N1CCN(C)c2[nH+]cccc21 ZINC001351020639 966831136 /nfs/dbraw/zinc/83/11/36/966831136.db2.gz IJQOYGACBXKXCW-UHFFFAOYSA-N 1 2 271.328 1.232 20 30 CDEDLO CN(C)[C@H](C(=O)Nc1cccc(CC#N)c1)c1c[nH+]cn1C ZINC001449725250 967536521 /nfs/dbraw/zinc/53/65/21/967536521.db2.gz HHSAQKWIMGBGIT-HNNXBMFYSA-N 1 2 297.362 1.728 20 30 CDEDLO CCn1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC001462297521 969681974 /nfs/dbraw/zinc/68/19/74/969681974.db2.gz OCMPEPXPZLJCQH-HNNXBMFYSA-N 1 2 297.362 1.823 20 30 CDEDLO CCn1ccc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC001462297521 969681977 /nfs/dbraw/zinc/68/19/77/969681977.db2.gz OCMPEPXPZLJCQH-HNNXBMFYSA-N 1 2 297.362 1.823 20 30 CDEDLO N#CCC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001471525120 970434049 /nfs/dbraw/zinc/43/40/49/970434049.db2.gz GSPPQRLXHSKBOA-CYBMUJFWSA-N 1 2 254.293 1.654 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1cccnc1 ZINC001496684172 973042561 /nfs/dbraw/zinc/04/25/61/973042561.db2.gz GTXNTOLMVZSRRH-UHFFFAOYSA-N 1 2 281.787 1.767 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1cccnc1 ZINC001496684172 973042574 /nfs/dbraw/zinc/04/25/74/973042574.db2.gz GTXNTOLMVZSRRH-UHFFFAOYSA-N 1 2 281.787 1.767 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCc1ccnn1C ZINC001418465385 973869412 /nfs/dbraw/zinc/86/94/12/973869412.db2.gz GOGYXWRCXWGQAZ-UHFFFAOYSA-N 1 2 284.791 1.153 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCc1ccnn1C ZINC001418465385 973869421 /nfs/dbraw/zinc/86/94/21/973869421.db2.gz GOGYXWRCXWGQAZ-UHFFFAOYSA-N 1 2 284.791 1.153 20 30 CDEDLO CO[C@H](C)CC(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001377136551 974899329 /nfs/dbraw/zinc/89/93/29/974899329.db2.gz JWAIJYAYSSQKSR-CYBMUJFWSA-N 1 2 289.379 1.531 20 30 CDEDLO CO[C@H](C)CC(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001377136551 974899333 /nfs/dbraw/zinc/89/93/33/974899333.db2.gz JWAIJYAYSSQKSR-CYBMUJFWSA-N 1 2 289.379 1.531 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1oncc1C ZINC001377356162 974986455 /nfs/dbraw/zinc/98/64/55/974986455.db2.gz QSLULUIITTUFLJ-UHFFFAOYSA-N 1 2 271.748 1.787 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1oncc1C ZINC001377356162 974986460 /nfs/dbraw/zinc/98/64/60/974986460.db2.gz QSLULUIITTUFLJ-UHFFFAOYSA-N 1 2 271.748 1.787 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C(C)(C)COC)C1 ZINC001377987981 975195726 /nfs/dbraw/zinc/19/57/26/975195726.db2.gz XUKCPJNPOLFNHT-UHFFFAOYSA-N 1 2 274.792 1.460 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccc(C)nn1 ZINC001401370683 975624918 /nfs/dbraw/zinc/62/49/18/975624918.db2.gz PBACMISIFQHQTA-UHFFFAOYSA-N 1 2 282.775 1.541 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccc(C)nn1 ZINC001401370683 975624926 /nfs/dbraw/zinc/62/49/26/975624926.db2.gz PBACMISIFQHQTA-UHFFFAOYSA-N 1 2 282.775 1.541 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ncccc1OC ZINC001379125864 975679471 /nfs/dbraw/zinc/67/94/71/975679471.db2.gz INTOATSIXIJRQJ-UHFFFAOYSA-N 1 2 297.786 1.847 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ncccc1OC ZINC001379125864 975679474 /nfs/dbraw/zinc/67/94/74/975679474.db2.gz INTOATSIXIJRQJ-UHFFFAOYSA-N 1 2 297.786 1.847 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCc1ncccn1 ZINC001381604316 976943641 /nfs/dbraw/zinc/94/36/41/976943641.db2.gz IMUVELYCFNWYLQ-LBPRGKRZSA-N 1 2 296.802 1.598 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCc1ncccn1 ZINC001381604316 976943647 /nfs/dbraw/zinc/94/36/47/976943647.db2.gz IMUVELYCFNWYLQ-LBPRGKRZSA-N 1 2 296.802 1.598 20 30 CDEDLO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001132569365 1163375719 /nfs/dbraw/zinc/37/57/19/1163375719.db2.gz PHCQENPFNZWCIW-JQWIXIFHSA-N 1 2 265.357 1.647 20 30 CDEDLO C=CCCC1(C(=O)NCC[NH2+][C@H](C)c2nc(C)no2)CC1 ZINC001133378996 1163661972 /nfs/dbraw/zinc/66/19/72/1163661972.db2.gz QLJMFCXNLYLUMP-LLVKDONJSA-N 1 2 292.383 1.891 20 30 CDEDLO C=CCOc1ccc(OC(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)cc1 ZINC001573310956 1170185691 /nfs/dbraw/zinc/18/56/91/1170185691.db2.gz SCASIJNBRHCIDR-GDBMZVCRSA-N 1 2 291.347 1.924 20 30 CDEDLO C#CCCCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1c[nH]nn1 ZINC001574867806 1171031290 /nfs/dbraw/zinc/03/12/90/1171031290.db2.gz YZHLDZNHHMDVKI-STQMWFEESA-N 1 2 291.399 1.371 20 30 CDEDLO C#CCCCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cn[nH]n1 ZINC001574867806 1171031299 /nfs/dbraw/zinc/03/12/99/1171031299.db2.gz YZHLDZNHHMDVKI-STQMWFEESA-N 1 2 291.399 1.371 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([NH2+]Cc2c[nH]nn2)[C@H](CC)C1 ZINC001575085056 1171108187 /nfs/dbraw/zinc/10/81/87/1171108187.db2.gz DOSXOQBUZSIIIE-TZMCWYRMSA-N 1 2 291.399 1.488 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([NH2+]Cc2cn[nH]n2)[C@H](CC)C1 ZINC001575085056 1171108190 /nfs/dbraw/zinc/10/81/90/1171108190.db2.gz DOSXOQBUZSIIIE-TZMCWYRMSA-N 1 2 291.399 1.488 20 30 CDEDLO C=CCCC(=O)NCC[C@H]1CC[N@H+](Cc2cnn[nH]2)C1 ZINC001575087723 1171109729 /nfs/dbraw/zinc/10/97/29/1171109729.db2.gz LEAAFYDIRDJAEZ-LBPRGKRZSA-N 1 2 277.372 1.099 20 30 CDEDLO C=CCCC(=O)NCC[C@H]1CC[N@@H+](Cc2cnn[nH]2)C1 ZINC001575087723 1171109734 /nfs/dbraw/zinc/10/97/34/1171109734.db2.gz LEAAFYDIRDJAEZ-LBPRGKRZSA-N 1 2 277.372 1.099 20 30 CDEDLO C=CCCC(=O)NCC[C@H]1CC[N@H+](Cc2c[nH]nn2)C1 ZINC001575087723 1171109738 /nfs/dbraw/zinc/10/97/38/1171109738.db2.gz LEAAFYDIRDJAEZ-LBPRGKRZSA-N 1 2 277.372 1.099 20 30 CDEDLO C=CCCC(=O)NCC[C@H]1CC[N@@H+](Cc2c[nH]nn2)C1 ZINC001575087723 1171109746 /nfs/dbraw/zinc/10/97/46/1171109746.db2.gz LEAAFYDIRDJAEZ-LBPRGKRZSA-N 1 2 277.372 1.099 20 30 CDEDLO C=CCCC(=O)NCC[C@H]1CC[N@H+](Cc2cn[nH]n2)C1 ZINC001575087723 1171109751 /nfs/dbraw/zinc/10/97/51/1171109751.db2.gz LEAAFYDIRDJAEZ-LBPRGKRZSA-N 1 2 277.372 1.099 20 30 CDEDLO C=CCCC(=O)NCC[C@H]1CC[N@@H+](Cc2cn[nH]n2)C1 ZINC001575087723 1171109757 /nfs/dbraw/zinc/10/97/57/1171109757.db2.gz LEAAFYDIRDJAEZ-LBPRGKRZSA-N 1 2 277.372 1.099 20 30 CDEDLO CCOC(=O)CCc1cc(NCCCCC#N)nc(C)[nH+]1 ZINC000601114595 342471762 /nfs/dbraw/zinc/47/17/62/342471762.db2.gz SZUWRNFYZIVZCN-UHFFFAOYSA-N 1 2 290.367 1.808 20 30 CDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CCCCCC#N ZINC000588166807 342493878 /nfs/dbraw/zinc/49/38/78/342493878.db2.gz VNPDKMWCVOUWJU-CABCVRRESA-N 1 2 293.411 1.782 20 30 CDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CCCCCC#N ZINC000588166810 342493907 /nfs/dbraw/zinc/49/39/07/342493907.db2.gz VNPDKMWCVOUWJU-LSDHHAIUSA-N 1 2 293.411 1.782 20 30 CDEDLO COCC[N@H+](CCC#N)Cc1cc(OC)c(O)c(OC)c1 ZINC000589162775 342498542 /nfs/dbraw/zinc/49/85/42/342498542.db2.gz NCIBILCDSFRVSF-UHFFFAOYSA-N 1 2 294.351 1.771 20 30 CDEDLO COCC[N@@H+](CCC#N)Cc1cc(OC)c(O)c(OC)c1 ZINC000589162775 342498543 /nfs/dbraw/zinc/49/85/43/342498543.db2.gz NCIBILCDSFRVSF-UHFFFAOYSA-N 1 2 294.351 1.771 20 30 CDEDLO N#CCCOCC[N@@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000590166089 342523809 /nfs/dbraw/zinc/52/38/09/342523809.db2.gz PFZCTILBVXGXML-AWEZNQCLSA-N 1 2 273.336 1.001 20 30 CDEDLO N#CCCOCC[N@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000590166089 342523810 /nfs/dbraw/zinc/52/38/10/342523810.db2.gz PFZCTILBVXGXML-AWEZNQCLSA-N 1 2 273.336 1.001 20 30 CDEDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)CCCC#N ZINC000601427639 342561846 /nfs/dbraw/zinc/56/18/46/342561846.db2.gz FHCARHHLPZLXNC-JTQLQIEISA-N 1 2 270.358 1.187 20 30 CDEDLO CC#CC[NH+]1CCN(Cc2csc(CC)n2)CC1 ZINC000159608580 361748668 /nfs/dbraw/zinc/74/86/68/361748668.db2.gz DHZCDSJYNFVKAA-UHFFFAOYSA-N 1 2 263.410 1.846 20 30 CDEDLO CCOC[C@H](C(=O)OC)[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000618751539 349522178 /nfs/dbraw/zinc/52/21/78/349522178.db2.gz FAGHLBTZYFZBMX-OAHLLOKOSA-N 1 2 290.363 1.877 20 30 CDEDLO CCOC[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000618751539 349522181 /nfs/dbraw/zinc/52/21/81/349522181.db2.gz FAGHLBTZYFZBMX-OAHLLOKOSA-N 1 2 290.363 1.877 20 30 CDEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CCn2c[nH+]cc2C1 ZINC000590599134 342579665 /nfs/dbraw/zinc/57/96/65/342579665.db2.gz ITFUZZJOEPEPQS-HNNXBMFYSA-N 1 2 296.330 1.485 20 30 CDEDLO C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCn2cc[nH+]c2C1 ZINC000329696954 361817434 /nfs/dbraw/zinc/81/74/34/361817434.db2.gz DVOORVWHIFLHNY-LLVKDONJSA-N 1 2 290.367 1.761 20 30 CDEDLO N#C[C@]1(NC(=O)CCCn2cc[nH+]c2)CCSC1 ZINC000609168585 342092898 /nfs/dbraw/zinc/09/28/98/342092898.db2.gz DAWYRJACVXKWDI-GFCCVEGCSA-N 1 2 264.354 1.179 20 30 CDEDLO C=CCOCC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000591118686 342618798 /nfs/dbraw/zinc/61/87/98/342618798.db2.gz HHXNJCKLAKJNHZ-OAHLLOKOSA-N 1 2 285.347 1.828 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147123 342673637 /nfs/dbraw/zinc/67/36/37/342673637.db2.gz LVFAHMHUXKBRHQ-DOMZBBRYSA-N 1 2 273.336 1.364 20 30 CDEDLO C[C@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147123 342673639 /nfs/dbraw/zinc/67/36/39/342673639.db2.gz LVFAHMHUXKBRHQ-DOMZBBRYSA-N 1 2 273.336 1.364 20 30 CDEDLO C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148653 342668311 /nfs/dbraw/zinc/66/83/11/342668311.db2.gz YLHVNXAZXRZYOI-SUMWQHHRSA-N 1 2 299.374 1.315 20 30 CDEDLO C[C@H]1Cc2ccccc2N1C(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148653 342668312 /nfs/dbraw/zinc/66/83/12/342668312.db2.gz YLHVNXAZXRZYOI-SUMWQHHRSA-N 1 2 299.374 1.315 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000592150734 342668787 /nfs/dbraw/zinc/66/87/87/342668787.db2.gz ICHRZYJWGNVSKJ-GOEBONIOSA-N 1 2 285.347 1.142 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000592150734 342668788 /nfs/dbraw/zinc/66/87/88/342668788.db2.gz ICHRZYJWGNVSKJ-GOEBONIOSA-N 1 2 285.347 1.142 20 30 CDEDLO C[C@]1(C#N)CCC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000619049753 349605178 /nfs/dbraw/zinc/60/51/78/349605178.db2.gz QZHFPQHRTGDEQV-NWDGAFQWSA-N 1 2 256.371 1.047 20 30 CDEDLO C[C@]1(C#N)CCC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000619049753 349605182 /nfs/dbraw/zinc/60/51/82/349605182.db2.gz QZHFPQHRTGDEQV-NWDGAFQWSA-N 1 2 256.371 1.047 20 30 CDEDLO C=CCCCCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000351693498 361867259 /nfs/dbraw/zinc/86/72/59/361867259.db2.gz PYAJMKYZNSBUKH-UONOGXRCSA-N 1 2 283.416 1.751 20 30 CDEDLO CC[C@@H]1COC(C)(C)C[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000593057722 342760396 /nfs/dbraw/zinc/76/03/96/342760396.db2.gz WRBXCBGAIAAUOB-CZUORRHYSA-N 1 2 295.427 1.930 20 30 CDEDLO CC[C@@H]1COC(C)(C)C[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000593057722 342760397 /nfs/dbraw/zinc/76/03/97/342760397.db2.gz WRBXCBGAIAAUOB-CZUORRHYSA-N 1 2 295.427 1.930 20 30 CDEDLO CC(C)(C)OC(=O)CN[C@@]1(C)CC[N@H+](CC2(C#N)CC2)C1 ZINC000440505033 361879326 /nfs/dbraw/zinc/87/93/26/361879326.db2.gz OHLFAFDIIKWACP-HNNXBMFYSA-N 1 2 293.411 1.686 20 30 CDEDLO CC(C)(C)OC(=O)CN[C@@]1(C)CC[N@@H+](CC2(C#N)CC2)C1 ZINC000440505033 361879332 /nfs/dbraw/zinc/87/93/32/361879332.db2.gz OHLFAFDIIKWACP-HNNXBMFYSA-N 1 2 293.411 1.686 20 30 CDEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(CC2(C#N)CC2)C1 ZINC000440505033 361879338 /nfs/dbraw/zinc/87/93/38/361879338.db2.gz OHLFAFDIIKWACP-HNNXBMFYSA-N 1 2 293.411 1.686 20 30 CDEDLO N#Cc1csc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000157086470 342178328 /nfs/dbraw/zinc/17/83/28/342178328.db2.gz NIKMDYAEVXXEDE-LBPRGKRZSA-N 1 2 296.417 1.771 20 30 CDEDLO N#Cc1csc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000157086470 342178329 /nfs/dbraw/zinc/17/83/29/342178329.db2.gz NIKMDYAEVXXEDE-LBPRGKRZSA-N 1 2 296.417 1.771 20 30 CDEDLO Cc1nc2c(cccc2C(=O)N[C@@](C)(C#N)C[NH+](C)C)o1 ZINC000593153325 342773943 /nfs/dbraw/zinc/77/39/43/342773943.db2.gz WHFUWKPJOXJGRK-HNNXBMFYSA-N 1 2 286.335 1.710 20 30 CDEDLO N#CCCCCCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000588722180 342220139 /nfs/dbraw/zinc/22/01/39/342220139.db2.gz KCFNQRZAWXOCGK-UHFFFAOYSA-N 1 2 279.384 1.441 20 30 CDEDLO Cc1nc(C[N@H+](C)CCc2ccc(C#N)cc2)no1 ZINC000595422135 343055601 /nfs/dbraw/zinc/05/56/01/343055601.db2.gz GJYCSUQRXBYZBX-UHFFFAOYSA-N 1 2 256.309 1.924 20 30 CDEDLO Cc1nc(C[N@@H+](C)CCc2ccc(C#N)cc2)no1 ZINC000595422135 343055603 /nfs/dbraw/zinc/05/56/03/343055603.db2.gz GJYCSUQRXBYZBX-UHFFFAOYSA-N 1 2 256.309 1.924 20 30 CDEDLO C[C@@]1(C#N)CCC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000599362532 344026495 /nfs/dbraw/zinc/02/64/95/344026495.db2.gz OYGQYKJUEGMJAE-RDJZCZTQSA-N 1 2 299.374 1.924 20 30 CDEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000599362532 344026497 /nfs/dbraw/zinc/02/64/97/344026497.db2.gz OYGQYKJUEGMJAE-RDJZCZTQSA-N 1 2 299.374 1.924 20 30 CDEDLO Cn1cc(C[N@H+](C)CCC(=O)Nc2cccc(C#N)c2)nn1 ZINC000595759083 343143068 /nfs/dbraw/zinc/14/30/68/343143068.db2.gz NQGACAKURMWDCT-UHFFFAOYSA-N 1 2 298.350 1.147 20 30 CDEDLO Cn1cc(C[N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)nn1 ZINC000595759083 343143070 /nfs/dbraw/zinc/14/30/70/343143070.db2.gz NQGACAKURMWDCT-UHFFFAOYSA-N 1 2 298.350 1.147 20 30 CDEDLO C[C@@H](NC(=O)N[C@H]1CCOC[C@H]1C)[C@@H](C)[NH+]1CCOCC1 ZINC000330336361 295691863 /nfs/dbraw/zinc/69/18/63/295691863.db2.gz SIISVBXWJLHYNT-SYQHCUMBSA-N 1 2 299.415 1.024 20 30 CDEDLO C#CCNC(=O)c1ccc(NCCc2ccc(C)[nH+]c2)nc1 ZINC000080982043 342363048 /nfs/dbraw/zinc/36/30/48/342363048.db2.gz FMMJGKDKHRNZST-UHFFFAOYSA-N 1 2 294.358 1.803 20 30 CDEDLO C=CC[NH+](CC=C)CC(=O)NCC(=O)c1ccccc1 ZINC000081672318 342371739 /nfs/dbraw/zinc/37/17/39/342371739.db2.gz VEXPAAVUINOBBE-UHFFFAOYSA-N 1 2 272.348 1.660 20 30 CDEDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2c(C#N)cnn2C)CC1 ZINC000596128689 343238255 /nfs/dbraw/zinc/23/82/55/343238255.db2.gz JMLKOEHVBPSXGB-ZDUSSCGKSA-N 1 2 296.378 1.570 20 30 CDEDLO CCc1nc(C#N)cc(NCCc2ccc(C)c[nH+]2)n1 ZINC000596261432 343278279 /nfs/dbraw/zinc/27/82/79/343278279.db2.gz UDLNLSQUVVOBGD-UHFFFAOYSA-N 1 2 267.336 1.691 20 30 CDEDLO Cc1ccc(C#N)c(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)n1 ZINC000596431612 343319428 /nfs/dbraw/zinc/31/94/28/343319428.db2.gz PQHFSYPISIPWDQ-QWHCGFSZSA-N 1 2 274.368 1.783 20 30 CDEDLO Cc1ccc(C#N)c(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)n1 ZINC000596431612 343319431 /nfs/dbraw/zinc/31/94/31/343319431.db2.gz PQHFSYPISIPWDQ-QWHCGFSZSA-N 1 2 274.368 1.783 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C=C1CCC1 ZINC000087224981 342386117 /nfs/dbraw/zinc/38/61/17/342386117.db2.gz JVAOPODDVAUQBL-UHFFFAOYSA-N 1 2 277.368 1.171 20 30 CDEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000004926395 136376629 /nfs/dbraw/zinc/37/66/29/136376629.db2.gz QGJCXTKGQBJFLJ-UHFFFAOYSA-N 1 2 287.407 1.728 20 30 CDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccccn1 ZINC000155685813 136395711 /nfs/dbraw/zinc/39/57/11/136395711.db2.gz UTRFJDNUDLLVGO-ZDUSSCGKSA-N 1 2 294.362 1.454 20 30 CDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccccn1 ZINC000155685813 136395712 /nfs/dbraw/zinc/39/57/12/136395712.db2.gz UTRFJDNUDLLVGO-ZDUSSCGKSA-N 1 2 294.362 1.454 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000597995305 343684160 /nfs/dbraw/zinc/68/41/60/343684160.db2.gz MBHCVFXXZNFJFF-QWRGUYRKSA-N 1 2 290.367 1.034 20 30 CDEDLO Cc1[nH]c(C#N)cc1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000597995305 343684163 /nfs/dbraw/zinc/68/41/63/343684163.db2.gz MBHCVFXXZNFJFF-QWRGUYRKSA-N 1 2 290.367 1.034 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000619721898 349871865 /nfs/dbraw/zinc/87/18/65/349871865.db2.gz YQUCRJFWKLWXMY-CZUORRHYSA-N 1 2 286.331 1.310 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000619721898 349871867 /nfs/dbraw/zinc/87/18/67/349871867.db2.gz YQUCRJFWKLWXMY-CZUORRHYSA-N 1 2 286.331 1.310 20 30 CDEDLO C[N@H+](CCCC#N)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000599682151 344118376 /nfs/dbraw/zinc/11/83/76/344118376.db2.gz DCLMQWCXINUJIX-UHFFFAOYSA-N 1 2 289.335 1.632 20 30 CDEDLO C[N@@H+](CCCC#N)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000599682151 344118378 /nfs/dbraw/zinc/11/83/78/344118378.db2.gz DCLMQWCXINUJIX-UHFFFAOYSA-N 1 2 289.335 1.632 20 30 CDEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CSCC#N ZINC000601604303 344208377 /nfs/dbraw/zinc/20/83/77/344208377.db2.gz FTRWCHNJZMDGLG-SECBINFHSA-N 1 2 252.343 1.337 20 30 CDEDLO N#CCc1ccccc1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000601618518 344204163 /nfs/dbraw/zinc/20/41/63/344204163.db2.gz ZQRCAUJTKNQAGL-GASCZTMLSA-N 1 2 299.374 1.346 20 30 CDEDLO N#CCc1ccccc1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000601618518 344204164 /nfs/dbraw/zinc/20/41/64/344204164.db2.gz ZQRCAUJTKNQAGL-GASCZTMLSA-N 1 2 299.374 1.346 20 30 CDEDLO Cn1ccnc1[C@@H](C1CC1)[NH+]1CCN(CC#N)CC1 ZINC000602454684 344436019 /nfs/dbraw/zinc/43/60/19/344436019.db2.gz NXFBWCIOFYEGAJ-CYBMUJFWSA-N 1 2 259.357 1.012 20 30 CDEDLO N#CCC1(C[NH+]2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000602756758 344581873 /nfs/dbraw/zinc/58/18/73/344581873.db2.gz PDRBVPVWDYOICK-CQSZACIVSA-N 1 2 263.385 1.477 20 30 CDEDLO N#CCC1(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)CC1 ZINC000602832294 344614269 /nfs/dbraw/zinc/61/42/69/344614269.db2.gz SBATXYQVSCTNFR-CHWSQXEVSA-N 1 2 250.342 1.560 20 30 CDEDLO N#CCC1(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)CC1 ZINC000602832294 344614270 /nfs/dbraw/zinc/61/42/70/344614270.db2.gz SBATXYQVSCTNFR-CHWSQXEVSA-N 1 2 250.342 1.560 20 30 CDEDLO CC(C)CN1CC[N@H+](CC2(CC#N)CC2)[C@@H](C)C1=O ZINC000602810645 344603062 /nfs/dbraw/zinc/60/30/62/344603062.db2.gz HSVOMUJBLLIRKQ-ZDUSSCGKSA-N 1 2 263.385 1.869 20 30 CDEDLO CC(C)CN1CC[N@@H+](CC2(CC#N)CC2)[C@@H](C)C1=O ZINC000602810645 344603063 /nfs/dbraw/zinc/60/30/63/344603063.db2.gz HSVOMUJBLLIRKQ-ZDUSSCGKSA-N 1 2 263.385 1.869 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C)C1(C#N)CCCCC1 ZINC000602864496 344637772 /nfs/dbraw/zinc/63/77/72/344637772.db2.gz RQUWUCHDLSIMDS-GFCCVEGCSA-N 1 2 262.357 1.563 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000602865379 344638208 /nfs/dbraw/zinc/63/82/08/344638208.db2.gz XSRDDTNLWHEMPU-JHJVBQTASA-N 1 2 251.374 1.915 20 30 CDEDLO N#Cc1cc([N+](=O)[O-])ccc1-n1c[nH+]c(CCCO)c1 ZINC000609494655 345050764 /nfs/dbraw/zinc/05/07/64/345050764.db2.gz GRYCZQKXDCBOFK-UHFFFAOYSA-N 1 2 272.264 1.577 20 30 CDEDLO C[N@H+](CCOc1ccccc1C#N)Cc1ncc[nH]1 ZINC000609538577 345595607 /nfs/dbraw/zinc/59/56/07/345595607.db2.gz QKXVAJPKMDNFAK-UHFFFAOYSA-N 1 2 256.309 1.792 20 30 CDEDLO C[N@@H+](CCOc1ccccc1C#N)Cc1ncc[nH]1 ZINC000609538577 345595609 /nfs/dbraw/zinc/59/56/09/345595609.db2.gz QKXVAJPKMDNFAK-UHFFFAOYSA-N 1 2 256.309 1.792 20 30 CDEDLO CC#CC[N@@H+](C)[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000293334394 345644700 /nfs/dbraw/zinc/64/47/00/345644700.db2.gz YGJABAFKHPLXQF-CQSZACIVSA-N 1 2 272.348 1.756 20 30 CDEDLO CC#CC[N@H+](C)[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000293334394 345644704 /nfs/dbraw/zinc/64/47/04/345644704.db2.gz YGJABAFKHPLXQF-CQSZACIVSA-N 1 2 272.348 1.756 20 30 CDEDLO COC[C@@H]1CC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000265789005 362603988 /nfs/dbraw/zinc/60/39/88/362603988.db2.gz MCWQURUCEQCRBJ-GFCCVEGCSA-N 1 2 291.351 1.675 20 30 CDEDLO COC[C@@H]1CC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000265789005 362603994 /nfs/dbraw/zinc/60/39/94/362603994.db2.gz MCWQURUCEQCRBJ-GFCCVEGCSA-N 1 2 291.351 1.675 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617721600 345926620 /nfs/dbraw/zinc/92/66/20/345926620.db2.gz ROKVALVBCUVBJA-RYUDHWBXSA-N 1 2 254.374 1.424 20 30 CDEDLO C=CC(C)(C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617721600 345926622 /nfs/dbraw/zinc/92/66/22/345926622.db2.gz ROKVALVBCUVBJA-RYUDHWBXSA-N 1 2 254.374 1.424 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC(C)(C)OCC1(C)C)C1CC1 ZINC000609671531 345988423 /nfs/dbraw/zinc/98/84/23/345988423.db2.gz DVPBKGCJBSCCMN-MRXNPFEDSA-N 1 2 293.411 1.684 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC(C)(C)OCC1(C)C)C1CC1 ZINC000609671531 345988425 /nfs/dbraw/zinc/98/84/25/345988425.db2.gz DVPBKGCJBSCCMN-MRXNPFEDSA-N 1 2 293.411 1.684 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCc2ccc(O)cc2C1)C1CC1 ZINC000610002653 346056010 /nfs/dbraw/zinc/05/60/10/346056010.db2.gz OFLNWKOPFFQZBP-KRWDZBQOSA-N 1 2 299.374 1.559 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCc2ccc(O)cc2C1)C1CC1 ZINC000610002653 346056015 /nfs/dbraw/zinc/05/60/15/346056015.db2.gz OFLNWKOPFFQZBP-KRWDZBQOSA-N 1 2 299.374 1.559 20 30 CDEDLO C=C(C)[C@H](CC(=O)N[C@@H]1CCn2c[nH+]cc2C1)OCC ZINC000623306461 346025764 /nfs/dbraw/zinc/02/57/64/346025764.db2.gz OCNHMGUCRNFIAF-OCCSQVGLSA-N 1 2 277.368 1.685 20 30 CDEDLO Cc1cccn2cc(CCNC(=O)CSCC#N)[nH+]c12 ZINC000610435068 346281896 /nfs/dbraw/zinc/28/18/96/346281896.db2.gz WWFZSBFRLNWTRY-UHFFFAOYSA-N 1 2 288.376 1.558 20 30 CDEDLO CCN(C[C@H](C)C#N)c1cc(-n2cc[nH+]c2)ncn1 ZINC000610566773 346315504 /nfs/dbraw/zinc/31/55/04/346315504.db2.gz MPZPQQRWZLQASK-LLVKDONJSA-N 1 2 256.313 1.648 20 30 CDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N(C)Cc1[nH]cc[nH+]1 ZINC000611191046 346684799 /nfs/dbraw/zinc/68/47/99/346684799.db2.gz AJUSWKPYPFINQK-NSHDSACASA-N 1 2 283.335 1.740 20 30 CDEDLO COCC[N@H+](CCC#N)C[C@@H](O)CCc1ccccc1 ZINC000612446254 347173933 /nfs/dbraw/zinc/17/39/33/347173933.db2.gz CQERPCXWABLVRX-INIZCTEOSA-N 1 2 276.380 1.842 20 30 CDEDLO COCC[N@@H+](CCC#N)C[C@@H](O)CCc1ccccc1 ZINC000612446254 347173934 /nfs/dbraw/zinc/17/39/34/347173934.db2.gz CQERPCXWABLVRX-INIZCTEOSA-N 1 2 276.380 1.842 20 30 CDEDLO C=C[C@@](C)(O)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000613545206 347775834 /nfs/dbraw/zinc/77/58/34/347775834.db2.gz NARPTPVBMXFOOJ-IUODEOHRSA-N 1 2 294.420 1.890 20 30 CDEDLO CC(C)[C@H](CNC(=O)C(C)(C)C#N)[NH+]1CCOCC1 ZINC000055113573 347837354 /nfs/dbraw/zinc/83/73/54/347837354.db2.gz GLYSBUXOEAXBEM-LBPRGKRZSA-N 1 2 267.373 1.009 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc2cccnc2c1 ZINC000414121032 362926842 /nfs/dbraw/zinc/92/68/42/362926842.db2.gz FNSVZBCEMJBEJQ-AWEZNQCLSA-N 1 2 285.347 1.820 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc2cccnc2c1 ZINC000414121032 362926849 /nfs/dbraw/zinc/92/68/49/362926849.db2.gz FNSVZBCEMJBEJQ-AWEZNQCLSA-N 1 2 285.347 1.820 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615535456 348578860 /nfs/dbraw/zinc/57/88/60/348578860.db2.gz BVZVSKWFZMZDPE-HOCLYGCPSA-N 1 2 280.412 1.912 20 30 CDEDLO CC(C)C[C@@H](C#N)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000615745575 348654402 /nfs/dbraw/zinc/65/44/02/348654402.db2.gz MJKDXSVXQZPDGF-NEPJUHHUSA-N 1 2 260.341 1.500 20 30 CDEDLO CCc1ccccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414165917 362929904 /nfs/dbraw/zinc/92/99/04/362929904.db2.gz QIWAOVKGQROLNN-CQSZACIVSA-N 1 2 262.353 1.834 20 30 CDEDLO CCc1ccccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414165917 362929907 /nfs/dbraw/zinc/92/99/07/362929907.db2.gz QIWAOVKGQROLNN-CQSZACIVSA-N 1 2 262.353 1.834 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000271228161 191014198 /nfs/dbraw/zinc/01/41/98/191014198.db2.gz SEEWDCJADJHQBF-LBPRGKRZSA-N 1 2 268.313 1.707 20 30 CDEDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000271228161 191014202 /nfs/dbraw/zinc/01/42/02/191014202.db2.gz SEEWDCJADJHQBF-LBPRGKRZSA-N 1 2 268.313 1.707 20 30 CDEDLO N#Cc1ccc(N2CC[NH+](Cc3ccns3)CC2)nc1 ZINC000602440313 350110979 /nfs/dbraw/zinc/11/09/79/350110979.db2.gz HPNIJGPVNVAXON-UHFFFAOYSA-N 1 2 285.376 1.732 20 30 CDEDLO C[NH+]1CCN(CCCCNc2ccc(C#N)cn2)CC1 ZINC000075669958 350488884 /nfs/dbraw/zinc/48/88/84/350488884.db2.gz ILXOPVNUOZOWDQ-UHFFFAOYSA-N 1 2 273.384 1.393 20 30 CDEDLO CN(Cc1cccc(C#N)c1)C(=O)CCc1c[nH+]c[nH]1 ZINC000276495473 351321039 /nfs/dbraw/zinc/32/10/39/351321039.db2.gz VPERZDLOZLLCBV-UHFFFAOYSA-N 1 2 268.320 1.873 20 30 CDEDLO CN(Cc1cccc(C#N)c1)C(=O)CCc1c[nH]c[nH+]1 ZINC000276495473 351321043 /nfs/dbraw/zinc/32/10/43/351321043.db2.gz VPERZDLOZLLCBV-UHFFFAOYSA-N 1 2 268.320 1.873 20 30 CDEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)[nH]1 ZINC000152141141 363237234 /nfs/dbraw/zinc/23/72/34/363237234.db2.gz RTQHKRXZGFPZIX-UHFFFAOYSA-N 1 2 295.346 1.239 20 30 CDEDLO COCC1(C#N)CC[NH+](Cc2oncc2C(=O)OC)CC1 ZINC000352372421 363283489 /nfs/dbraw/zinc/28/34/89/363283489.db2.gz SDQMBYPWVBNVAZ-UHFFFAOYSA-N 1 2 293.323 1.213 20 30 CDEDLO N#Cc1c(N2CCn3c[nH+]cc3C2)nc2ccccn12 ZINC000377361052 283080510 /nfs/dbraw/zinc/08/05/10/283080510.db2.gz VZPCDKBSWVBRMO-UHFFFAOYSA-N 1 2 264.292 1.423 20 30 CDEDLO Cc1cccn2cc(CNC(=O)c3cnccc3C#N)[nH+]c12 ZINC000342475215 355926926 /nfs/dbraw/zinc/92/69/26/355926926.db2.gz RJILUCUJGWBIHB-UHFFFAOYSA-N 1 2 291.314 1.839 20 30 CDEDLO CCC[NH+]1CCN(C(=O)c2ccc(C#N)s2)CC1 ZINC000336568771 356211458 /nfs/dbraw/zinc/21/14/58/356211458.db2.gz INGZWQPCYILIRD-UHFFFAOYSA-N 1 2 263.366 1.788 20 30 CDEDLO CCOC(=O)C[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000233685096 356375548 /nfs/dbraw/zinc/37/55/48/356375548.db2.gz UDMZCAJGJBSRMG-UHFFFAOYSA-N 1 2 262.309 1.562 20 30 CDEDLO CCOC(=O)C[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000233685096 356375551 /nfs/dbraw/zinc/37/55/51/356375551.db2.gz UDMZCAJGJBSRMG-UHFFFAOYSA-N 1 2 262.309 1.562 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121413416 356810930 /nfs/dbraw/zinc/81/09/30/356810930.db2.gz SVMRYWHCSJKLMU-ZDUSSCGKSA-N 1 2 274.368 1.374 20 30 CDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121413416 356810932 /nfs/dbraw/zinc/81/09/32/356810932.db2.gz SVMRYWHCSJKLMU-ZDUSSCGKSA-N 1 2 274.368 1.374 20 30 CDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000299388075 357057046 /nfs/dbraw/zinc/05/70/46/357057046.db2.gz TVVBZSIKLKVKCI-RRFJBIMHSA-N 1 2 260.381 1.638 20 30 CDEDLO C=CC[C@@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)c1ccccc1 ZINC000188742385 357072275 /nfs/dbraw/zinc/07/22/75/357072275.db2.gz KUPJBTNTLMOPHS-DLBZAZTESA-N 1 2 299.418 1.462 20 30 CDEDLO C[C@@H]1C[C@H](C(=O)NCC2([NH+]3CCOCC3)CC2)CO1 ZINC000329923749 538800547 /nfs/dbraw/zinc/80/05/47/538800547.db2.gz UOKPDALKKRDNTR-NEPJUHHUSA-N 1 2 268.357 1.233 20 30 CDEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cccc2c1OCO2 ZINC000556711415 357160996 /nfs/dbraw/zinc/16/09/96/357160996.db2.gz ZFQTYLWWNVLXEO-NSHDSACASA-N 1 2 257.293 1.948 20 30 CDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290643940 357240229 /nfs/dbraw/zinc/24/02/29/357240229.db2.gz ADRHSIREMGUTFW-LBPRGKRZSA-N 1 2 296.330 1.564 20 30 CDEDLO C#C[C@@H](CC)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000491691780 357227615 /nfs/dbraw/zinc/22/76/15/357227615.db2.gz PSJJVUNBZAAIMS-LBPRGKRZSA-N 1 2 255.321 1.713 20 30 CDEDLO C#CC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000277762101 357311544 /nfs/dbraw/zinc/31/15/44/357311544.db2.gz MJWHKXHBGKGWHH-UHFFFAOYSA-N 1 2 259.740 1.967 20 30 CDEDLO CC(=O)c1ccc(C#N)c(N2CCn3c[nH+]cc3C2)c1 ZINC000290724819 357462751 /nfs/dbraw/zinc/46/27/51/357462751.db2.gz PTYIYUMCZWPOEO-UHFFFAOYSA-N 1 2 266.304 1.978 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@@H](CCCC)C1=O ZINC000491665840 332274477 /nfs/dbraw/zinc/27/44/77/332274477.db2.gz PQIRKMRFVVPTPF-MNOVXSKESA-N 1 2 251.330 1.008 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](F)C1 ZINC000334813487 357640207 /nfs/dbraw/zinc/64/02/07/357640207.db2.gz SNWNCGJLKHIQIA-CMPLNLGQSA-N 1 2 261.300 1.929 20 30 CDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](F)C1 ZINC000334813487 357640209 /nfs/dbraw/zinc/64/02/09/357640209.db2.gz SNWNCGJLKHIQIA-CMPLNLGQSA-N 1 2 261.300 1.929 20 30 CDEDLO C[C@H](O)CNc1cc(NCc2ccc(C#N)cc2)nc[nH+]1 ZINC000294384459 199019250 /nfs/dbraw/zinc/01/92/50/199019250.db2.gz MGMMDKCLVNEDHE-NSHDSACASA-N 1 2 283.335 1.753 20 30 CDEDLO C[C@H](O)CNc1cc(NCc2ccc(C#N)cc2)[nH+]cn1 ZINC000294384459 199019251 /nfs/dbraw/zinc/01/92/51/199019251.db2.gz MGMMDKCLVNEDHE-NSHDSACASA-N 1 2 283.335 1.753 20 30 CDEDLO C#CCO[C@H](C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000294488644 199059466 /nfs/dbraw/zinc/05/94/66/199059466.db2.gz PKCUKJSSFQWZPH-CQSZACIVSA-N 1 2 297.358 1.586 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnn(CC(F)F)c2)C1=O ZINC000294654281 199125220 /nfs/dbraw/zinc/12/52/20/199125220.db2.gz KZPRFTLUDJZPAK-GFCCVEGCSA-N 1 2 298.337 1.367 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnn(CC(F)F)c2)C1=O ZINC000294654281 199125221 /nfs/dbraw/zinc/12/52/21/199125221.db2.gz KZPRFTLUDJZPAK-GFCCVEGCSA-N 1 2 298.337 1.367 20 30 CDEDLO COCCCCO[NH+]=C(N)c1ccc(OC)c(OC)c1 ZINC000089736251 358430871 /nfs/dbraw/zinc/43/08/71/358430871.db2.gz RXZHYVSRODOVOJ-UHFFFAOYSA-N 1 2 282.340 1.767 20 30 CDEDLO N#CC[C@]1(O)CCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000591974620 358581624 /nfs/dbraw/zinc/58/16/24/358581624.db2.gz JQBSNPXOMKFDJK-NSHDSACASA-N 1 2 271.242 1.955 20 30 CDEDLO Cc1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)nc1 ZINC000567054072 358623450 /nfs/dbraw/zinc/62/34/50/358623450.db2.gz APSOMVXSKDVOQS-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO Cc1cc(N[C@@H]2CCN(CC(F)(F)F)C2)c(C#N)c[nH+]1 ZINC000567718319 358722392 /nfs/dbraw/zinc/72/23/92/358722392.db2.gz NKKOAZNWTCUACJ-LLVKDONJSA-N 1 2 284.285 1.732 20 30 CDEDLO CC1(C)CN(C[NH+]2CCC(C)(C#N)CC2)C(=O)O1 ZINC000494951392 366513865 /nfs/dbraw/zinc/51/38/65/366513865.db2.gz JKKCZJOIFRSPPK-UHFFFAOYSA-N 1 2 251.330 1.800 20 30 CDEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)c(C)c2)C[C@H](C)O1 ZINC000338342119 359120440 /nfs/dbraw/zinc/12/04/40/359120440.db2.gz FLMNMQIKMMTUDN-SWLSCSKDSA-N 1 2 288.347 1.629 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)c(C)c2)C[C@H](C)O1 ZINC000338342119 359120445 /nfs/dbraw/zinc/12/04/45/359120445.db2.gz FLMNMQIKMMTUDN-SWLSCSKDSA-N 1 2 288.347 1.629 20 30 CDEDLO COc1cc(C[N@@H+]2CCOCC23CC3)ccc1C#N ZINC000339001755 359268431 /nfs/dbraw/zinc/26/84/31/359268431.db2.gz RFSBDPFCHHGBIC-UHFFFAOYSA-N 1 2 258.321 1.932 20 30 CDEDLO COc1cc(C[N@H+]2CCOCC23CC3)ccc1C#N ZINC000339001755 359268436 /nfs/dbraw/zinc/26/84/36/359268436.db2.gz RFSBDPFCHHGBIC-UHFFFAOYSA-N 1 2 258.321 1.932 20 30 CDEDLO C#CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000265907861 359337254 /nfs/dbraw/zinc/33/72/54/359337254.db2.gz PYFBFKQNTZFORX-HNNXBMFYSA-N 1 2 286.375 1.415 20 30 CDEDLO C#CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000265907861 359337263 /nfs/dbraw/zinc/33/72/63/359337263.db2.gz PYFBFKQNTZFORX-HNNXBMFYSA-N 1 2 286.375 1.415 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(Br)cn1 ZINC000266964307 359347171 /nfs/dbraw/zinc/34/71/71/359347171.db2.gz XNXPUCSHLRBIMZ-UHFFFAOYSA-N 1 2 296.168 1.738 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(Br)cn1 ZINC000266964307 359347177 /nfs/dbraw/zinc/34/71/77/359347177.db2.gz XNXPUCSHLRBIMZ-UHFFFAOYSA-N 1 2 296.168 1.738 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000266937906 359347278 /nfs/dbraw/zinc/34/72/78/359347278.db2.gz QIARLDJRWVOSTJ-UHFFFAOYSA-N 1 2 288.347 1.757 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000266937906 359347285 /nfs/dbraw/zinc/34/72/85/359347285.db2.gz QIARLDJRWVOSTJ-UHFFFAOYSA-N 1 2 288.347 1.757 20 30 CDEDLO CC#CCNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000270753837 359410781 /nfs/dbraw/zinc/41/07/81/359410781.db2.gz ZIHPSZPOKVRLJA-UHFFFAOYSA-N 1 2 256.309 1.465 20 30 CDEDLO C=C(C)C[N@H+](Cc1ccccc1)Cc1nc(N)nc(N)n1 ZINC000279420009 359586022 /nfs/dbraw/zinc/58/60/22/359586022.db2.gz WVNAQOCSKVIHAR-UHFFFAOYSA-N 1 2 284.367 1.614 20 30 CDEDLO C=C(C)C[N@@H+](Cc1ccccc1)Cc1nc(N)nc(N)n1 ZINC000279420009 359586025 /nfs/dbraw/zinc/58/60/25/359586025.db2.gz WVNAQOCSKVIHAR-UHFFFAOYSA-N 1 2 284.367 1.614 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)c2cnccn2)n1 ZINC000279799009 359594720 /nfs/dbraw/zinc/59/47/20/359594720.db2.gz WLTKTBJHLSHKFZ-CYBMUJFWSA-N 1 2 269.352 1.889 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)c2cnccn2)n1 ZINC000279799009 359594724 /nfs/dbraw/zinc/59/47/24/359594724.db2.gz WLTKTBJHLSHKFZ-CYBMUJFWSA-N 1 2 269.352 1.889 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cn2)[C@@H](C(N)=O)C1 ZINC000571816318 359617539 /nfs/dbraw/zinc/61/75/39/359617539.db2.gz WRMAUOKLMAOMRX-ZWNOBZJWSA-N 1 2 258.325 1.039 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cn2)[C@@H](C(N)=O)C1 ZINC000571816318 359617543 /nfs/dbraw/zinc/61/75/43/359617543.db2.gz WRMAUOKLMAOMRX-ZWNOBZJWSA-N 1 2 258.325 1.039 20 30 CDEDLO COC(=O)[C@]1([NH2+]CCCC(C)(C)C#N)CCOC1 ZINC000348077653 359819788 /nfs/dbraw/zinc/81/97/88/359819788.db2.gz PZYWDFOUDVPBIM-ZDUSSCGKSA-N 1 2 254.330 1.238 20 30 CDEDLO C=CCc1cc(C[NH+]2CC(C)(O)C2)cc(OC)c1O ZINC000639254095 359916698 /nfs/dbraw/zinc/91/66/98/359916698.db2.gz KMYPJSWLHITEAF-UHFFFAOYSA-N 1 2 263.337 1.696 20 30 CDEDLO C=CC[N@@H+](CC(=O)NC(=O)NC)Cc1cccs1 ZINC000057322241 359958022 /nfs/dbraw/zinc/95/80/22/359958022.db2.gz IPUXNJUGUCLMHW-UHFFFAOYSA-N 1 2 267.354 1.192 20 30 CDEDLO C=CC[N@H+](CC(=O)NC(=O)NC)Cc1cccs1 ZINC000057322241 359958026 /nfs/dbraw/zinc/95/80/26/359958026.db2.gz IPUXNJUGUCLMHW-UHFFFAOYSA-N 1 2 267.354 1.192 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)N(CC)C[C@@H]2C)C1=O ZINC000337197079 360019136 /nfs/dbraw/zinc/01/91/36/360019136.db2.gz YBPKXHREKGWTQH-RDBSUJKOSA-N 1 2 265.401 1.188 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)N(CC)C[C@@H]2C)C1=O ZINC000337197079 360019140 /nfs/dbraw/zinc/01/91/40/360019140.db2.gz YBPKXHREKGWTQH-RDBSUJKOSA-N 1 2 265.401 1.188 20 30 CDEDLO CC[C@H](C)[N@H+](CC(=O)OC)CC(=O)N(CC)CCC#N ZINC000337249078 360046265 /nfs/dbraw/zinc/04/62/65/360046265.db2.gz PYSJWQOROKQTRW-LBPRGKRZSA-N 1 2 283.372 1.022 20 30 CDEDLO CC[C@H](C)[N@@H+](CC(=O)OC)CC(=O)N(CC)CCC#N ZINC000337249078 360046270 /nfs/dbraw/zinc/04/62/70/360046270.db2.gz PYSJWQOROKQTRW-LBPRGKRZSA-N 1 2 283.372 1.022 20 30 CDEDLO CC[C@H]1C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000298307558 200390649 /nfs/dbraw/zinc/39/06/49/200390649.db2.gz YHNPHAOTCWTMBF-HOTGVXAUSA-N 1 2 299.374 1.774 20 30 CDEDLO CC[C@H]1C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000298307558 200390650 /nfs/dbraw/zinc/39/06/50/200390650.db2.gz YHNPHAOTCWTMBF-HOTGVXAUSA-N 1 2 299.374 1.774 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000424744582 360351100 /nfs/dbraw/zinc/35/11/00/360351100.db2.gz CBYPVWKGLKRDDH-NSHDSACASA-N 1 2 279.340 1.212 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000424744582 360351105 /nfs/dbraw/zinc/35/11/05/360351105.db2.gz CBYPVWKGLKRDDH-NSHDSACASA-N 1 2 279.340 1.212 20 30 CDEDLO COc1cccc(OCC(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000574088833 334991622 /nfs/dbraw/zinc/99/16/22/334991622.db2.gz JANLIHPUHFGRNO-OAHLLOKOSA-N 1 2 291.351 1.034 20 30 CDEDLO N#CC1(NC(=O)C[N@H+](Cc2ccccn2)C2CC2)CCC1 ZINC000561867519 360792151 /nfs/dbraw/zinc/79/21/51/360792151.db2.gz VIJVDAAITVHZHD-UHFFFAOYSA-N 1 2 284.363 1.608 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+](Cc2ccccn2)C2CC2)CCC1 ZINC000561867519 360792155 /nfs/dbraw/zinc/79/21/55/360792155.db2.gz VIJVDAAITVHZHD-UHFFFAOYSA-N 1 2 284.363 1.608 20 30 CDEDLO Cc1c(C#N)cccc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000178640774 238382552 /nfs/dbraw/zinc/38/25/52/238382552.db2.gz JYSCSJCFQVSRQO-ZDUSSCGKSA-N 1 2 259.309 1.136 20 30 CDEDLO Cc1c(C#N)cccc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000178640774 238382555 /nfs/dbraw/zinc/38/25/55/238382555.db2.gz JYSCSJCFQVSRQO-ZDUSSCGKSA-N 1 2 259.309 1.136 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000432090966 361104741 /nfs/dbraw/zinc/10/47/41/361104741.db2.gz NCSMWVBDDFWCFC-ZDUSSCGKSA-N 1 2 282.432 1.134 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000432090966 361104743 /nfs/dbraw/zinc/10/47/43/361104743.db2.gz NCSMWVBDDFWCFC-ZDUSSCGKSA-N 1 2 282.432 1.134 20 30 CDEDLO CCOCCCNC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433296277 361228901 /nfs/dbraw/zinc/22/89/01/361228901.db2.gz RUDRCMOCHBXSLV-GFCCVEGCSA-N 1 2 269.389 1.399 20 30 CDEDLO CCOCCCNC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433296277 361228907 /nfs/dbraw/zinc/22/89/07/361228907.db2.gz RUDRCMOCHBXSLV-GFCCVEGCSA-N 1 2 269.389 1.399 20 30 CDEDLO COC[C@H]1CC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000267626983 361234486 /nfs/dbraw/zinc/23/44/86/361234486.db2.gz RUAITPKGIYIDQN-DZGCQCFKSA-N 1 2 288.347 1.741 20 30 CDEDLO COC[C@H]1CC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000267626983 361234487 /nfs/dbraw/zinc/23/44/87/361234487.db2.gz RUAITPKGIYIDQN-DZGCQCFKSA-N 1 2 288.347 1.741 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)NCCc1cccc(C#N)c1 ZINC000339166101 361342547 /nfs/dbraw/zinc/34/25/47/361342547.db2.gz RZPWASYAFQZRCJ-UHFFFAOYSA-N 1 2 282.347 1.583 20 30 CDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000448562210 361416788 /nfs/dbraw/zinc/41/67/88/361416788.db2.gz BSXFEJHKOWXQAQ-DOMZBBRYSA-N 1 2 270.336 1.280 20 30 CDEDLO CSCC[C@@](C)(C#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000583634031 361580345 /nfs/dbraw/zinc/58/03/45/361580345.db2.gz GZARBUDYGVDTOT-AAEUAGOBSA-N 1 2 280.397 1.986 20 30 CDEDLO CN(C)c1cc(C#N)cc(C(=O)NCc2[nH+]ccn2C)c1 ZINC000293109025 239276179 /nfs/dbraw/zinc/27/61/79/239276179.db2.gz PHJKHEYOHDAYAQ-UHFFFAOYSA-N 1 2 283.335 1.288 20 30 CDEDLO Cc1oc(C#N)cc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000366644477 363948240 /nfs/dbraw/zinc/94/82/40/363948240.db2.gz HLODJGAGYXAPTH-UHFFFAOYSA-N 1 2 298.346 1.965 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000374556147 370724471 /nfs/dbraw/zinc/72/44/71/370724471.db2.gz JHWJQGFYWWNDCC-CZUORRHYSA-N 1 2 274.339 1.695 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000374556147 370724474 /nfs/dbraw/zinc/72/44/74/370724474.db2.gz JHWJQGFYWWNDCC-CZUORRHYSA-N 1 2 274.339 1.695 20 30 CDEDLO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc(C#N)cs2)[C@H](C)C1 ZINC000170619094 364408257 /nfs/dbraw/zinc/40/82/57/364408257.db2.gz OHLDGPMIJVHSJF-GHMZBOCLSA-N 1 2 293.392 1.147 20 30 CDEDLO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc(C#N)cs2)[C@H](C)C1 ZINC000170619094 364408262 /nfs/dbraw/zinc/40/82/62/364408262.db2.gz OHLDGPMIJVHSJF-GHMZBOCLSA-N 1 2 293.392 1.147 20 30 CDEDLO COC[C@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000249418072 364688385 /nfs/dbraw/zinc/68/83/85/364688385.db2.gz ZYGSEXAIDZZCDR-SWLSCSKDSA-N 1 2 260.337 1.966 20 30 CDEDLO COC[C@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000249418072 364688394 /nfs/dbraw/zinc/68/83/94/364688394.db2.gz ZYGSEXAIDZZCDR-SWLSCSKDSA-N 1 2 260.337 1.966 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCCC[C@@H]1CCO ZINC000049801689 364907537 /nfs/dbraw/zinc/90/75/37/364907537.db2.gz WCDMOICRRXFIJJ-GFCCVEGCSA-N 1 2 293.392 1.795 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCC[C@@H]1CCO ZINC000049801689 364907542 /nfs/dbraw/zinc/90/75/42/364907542.db2.gz WCDMOICRRXFIJJ-GFCCVEGCSA-N 1 2 293.392 1.795 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1O ZINC000270886628 366940911 /nfs/dbraw/zinc/94/09/11/366940911.db2.gz KTAYEYTWXFVAGR-DGCLKSJQSA-N 1 2 291.351 1.409 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1O ZINC000270886628 366940916 /nfs/dbraw/zinc/94/09/16/366940916.db2.gz KTAYEYTWXFVAGR-DGCLKSJQSA-N 1 2 291.351 1.409 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(Cc3csnn3)CC2)cc1 ZINC000271054071 366962871 /nfs/dbraw/zinc/96/28/71/366962871.db2.gz YOFMFGJDPPUWTJ-UHFFFAOYSA-N 1 2 299.403 1.728 20 30 CDEDLO N#C[C@H](NC(=O)CCn1cc[nH+]c1)c1ccccc1F ZINC000505913202 367002122 /nfs/dbraw/zinc/00/21/22/367002122.db2.gz RJYMWFDQUDKIDL-ZDUSSCGKSA-N 1 2 272.283 1.793 20 30 CDEDLO COc1ccc(C[N@@H+]2CCN(C)C(=O)C2(C)C)cc1C#N ZINC000094865858 367334750 /nfs/dbraw/zinc/33/47/50/367334750.db2.gz HGJZRBMLEGTRJO-UHFFFAOYSA-N 1 2 287.363 1.619 20 30 CDEDLO COc1ccc(C[N@H+]2CCN(C)C(=O)C2(C)C)cc1C#N ZINC000094865858 367334758 /nfs/dbraw/zinc/33/47/58/367334758.db2.gz HGJZRBMLEGTRJO-UHFFFAOYSA-N 1 2 287.363 1.619 20 30 CDEDLO Cc1ccc(C#N)c(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)n1 ZINC000161208348 367600190 /nfs/dbraw/zinc/60/01/90/367600190.db2.gz ODDZFUKAKFDMKQ-CHWSQXEVSA-N 1 2 274.368 1.783 20 30 CDEDLO C=C(CC)C[NH+]1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000358494499 367724720 /nfs/dbraw/zinc/72/47/20/367724720.db2.gz CPFOVNMHCDOULG-UHFFFAOYSA-N 1 2 299.396 1.088 20 30 CDEDLO N#CCCCc1nc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000361261439 368717131 /nfs/dbraw/zinc/71/71/31/368717131.db2.gz JLJOVTJWIBZOIF-RYUDHWBXSA-N 1 2 276.340 1.842 20 30 CDEDLO N#CCCCc1nc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000361261439 368717135 /nfs/dbraw/zinc/71/71/35/368717135.db2.gz JLJOVTJWIBZOIF-RYUDHWBXSA-N 1 2 276.340 1.842 20 30 CDEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000330603730 203028743 /nfs/dbraw/zinc/02/87/43/203028743.db2.gz GEBHGGFKULQPEQ-CQSZACIVSA-N 1 2 293.392 1.072 20 30 CDEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC000330603730 203028746 /nfs/dbraw/zinc/02/87/46/203028746.db2.gz GEBHGGFKULQPEQ-CQSZACIVSA-N 1 2 293.392 1.072 20 30 CDEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000154285676 370913397 /nfs/dbraw/zinc/91/33/97/370913397.db2.gz CEYJBXZCZLUWEK-STQMWFEESA-N 1 2 297.395 1.931 20 30 CDEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000154285676 370913402 /nfs/dbraw/zinc/91/34/02/370913402.db2.gz CEYJBXZCZLUWEK-STQMWFEESA-N 1 2 297.395 1.931 20 30 CDEDLO CCC[C@@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)CCO1 ZINC000131775203 369153218 /nfs/dbraw/zinc/15/32/18/369153218.db2.gz DDWDVBXAZWOWGO-CQSZACIVSA-N 1 2 292.383 1.143 20 30 CDEDLO CCC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)CCO1 ZINC000131775203 369153224 /nfs/dbraw/zinc/15/32/24/369153224.db2.gz DDWDVBXAZWOWGO-CQSZACIVSA-N 1 2 292.383 1.143 20 30 CDEDLO C#CCN(C(=O)C(=O)Nc1ccc(C)[nH+]c1C)C1CC1 ZINC000276067069 193204438 /nfs/dbraw/zinc/20/44/38/193204438.db2.gz CNUASEQXLMRTDS-UHFFFAOYSA-N 1 2 271.320 1.261 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1ccccc1 ZINC000572695623 371276840 /nfs/dbraw/zinc/27/68/40/371276840.db2.gz FXCLELVQQKSOGK-CQSZACIVSA-N 1 2 261.325 1.025 20 30 CDEDLO N#Cc1ccnc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000332329717 204602239 /nfs/dbraw/zinc/60/22/39/204602239.db2.gz PAUWVFKYHIUTJP-GFCCVEGCSA-N 1 2 281.319 1.696 20 30 CDEDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000179339063 372271750 /nfs/dbraw/zinc/27/17/50/372271750.db2.gz PAHCIIMMBRAHDO-GFCCVEGCSA-N 1 2 263.366 1.720 20 30 CDEDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000179339063 372271754 /nfs/dbraw/zinc/27/17/54/372271754.db2.gz PAHCIIMMBRAHDO-GFCCVEGCSA-N 1 2 263.366 1.720 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000175394765 372660027 /nfs/dbraw/zinc/66/00/27/372660027.db2.gz FMPHORNBYCOITF-FKIZINRSSA-N 1 2 294.420 1.719 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000175394765 372660033 /nfs/dbraw/zinc/66/00/33/372660033.db2.gz FMPHORNBYCOITF-FKIZINRSSA-N 1 2 294.420 1.719 20 30 CDEDLO CCOC(=O)[C@@H](C)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000348249415 373098066 /nfs/dbraw/zinc/09/80/66/373098066.db2.gz YSZXQUZSKHVEEJ-GFCCVEGCSA-N 1 2 276.336 1.820 20 30 CDEDLO CCOC(=O)[C@@H](C)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000348249415 373098072 /nfs/dbraw/zinc/09/80/72/373098072.db2.gz YSZXQUZSKHVEEJ-GFCCVEGCSA-N 1 2 276.336 1.820 20 30 CDEDLO COc1cc[nH+]cc1CNC(=O)c1cccc(C#N)c1 ZINC000348430350 373199910 /nfs/dbraw/zinc/19/99/10/373199910.db2.gz YZSXNINTKPVWSZ-UHFFFAOYSA-N 1 2 267.288 1.892 20 30 CDEDLO Cn1cc(C[N@H+](C)CC(=O)NCc2ccc(C#N)cc2)cn1 ZINC000298454051 373850925 /nfs/dbraw/zinc/85/09/25/373850925.db2.gz IKHLWOXNCNEBCI-UHFFFAOYSA-N 1 2 297.362 1.040 20 30 CDEDLO Cn1cc(C[N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)cn1 ZINC000298454051 373850931 /nfs/dbraw/zinc/85/09/31/373850931.db2.gz IKHLWOXNCNEBCI-UHFFFAOYSA-N 1 2 297.362 1.040 20 30 CDEDLO Cc1ccc(C#N)c(N2CCN(c3cc[nH+]c(C)n3)CC2)n1 ZINC000273553910 373901324 /nfs/dbraw/zinc/90/13/24/373901324.db2.gz ZGNGSGPYZRLBMK-UHFFFAOYSA-N 1 2 294.362 1.687 20 30 CDEDLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000370349211 374389855 /nfs/dbraw/zinc/38/98/55/374389855.db2.gz PACVFCHPSKIEAI-HUUCEWRRSA-N 1 2 288.347 1.711 20 30 CDEDLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000370349211 374389858 /nfs/dbraw/zinc/38/98/58/374389858.db2.gz PACVFCHPSKIEAI-HUUCEWRRSA-N 1 2 288.347 1.711 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H]1CCCCNC1=O ZINC000105614359 374427452 /nfs/dbraw/zinc/42/74/52/374427452.db2.gz BFMVJASPXHESOP-ZDUSSCGKSA-N 1 2 281.400 1.012 20 30 CDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000105614359 374427460 /nfs/dbraw/zinc/42/74/60/374427460.db2.gz BFMVJASPXHESOP-ZDUSSCGKSA-N 1 2 281.400 1.012 20 30 CDEDLO C[C@H]1CC[S@@](=O)CC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000375948257 374525195 /nfs/dbraw/zinc/52/51/95/374525195.db2.gz QSWOPPLXLUYRFY-RNODOKPDSA-N 1 2 292.404 1.780 20 30 CDEDLO C[C@H]1CC[S@@](=O)CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000375948257 374525201 /nfs/dbraw/zinc/52/52/01/374525201.db2.gz QSWOPPLXLUYRFY-RNODOKPDSA-N 1 2 292.404 1.780 20 30 CDEDLO Cc1ccnc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c1C#N ZINC000377027361 374581757 /nfs/dbraw/zinc/58/17/57/374581757.db2.gz ZJGISYNXKHWIKC-AWEZNQCLSA-N 1 2 297.362 1.935 20 30 CDEDLO N#Cc1cccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000376715214 374567030 /nfs/dbraw/zinc/56/70/30/374567030.db2.gz KCNNYQBYXCUUSM-LBPRGKRZSA-N 1 2 266.304 1.956 20 30 CDEDLO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000429379765 374583315 /nfs/dbraw/zinc/58/33/15/374583315.db2.gz DGJKHJTZYHTCTH-NSHDSACASA-N 1 2 296.367 1.564 20 30 CDEDLO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000429379765 374583319 /nfs/dbraw/zinc/58/33/19/374583319.db2.gz DGJKHJTZYHTCTH-NSHDSACASA-N 1 2 296.367 1.564 20 30 CDEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(=O)c(O)co1 ZINC000123875063 374733005 /nfs/dbraw/zinc/73/30/05/374733005.db2.gz QBFOIKKLOMMIBO-UHFFFAOYSA-N 1 2 270.288 1.849 20 30 CDEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(=O)c(O)co1 ZINC000123875063 374733009 /nfs/dbraw/zinc/73/30/09/374733009.db2.gz QBFOIKKLOMMIBO-UHFFFAOYSA-N 1 2 270.288 1.849 20 30 CDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)s2)CC[S@@](=O)C1 ZINC000277438930 374788338 /nfs/dbraw/zinc/78/83/38/374788338.db2.gz JZVBMWQJIPPICM-DYZYQPBXSA-N 1 2 268.407 1.820 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[S@@](=O)C1 ZINC000277438930 374788342 /nfs/dbraw/zinc/78/83/42/374788342.db2.gz JZVBMWQJIPPICM-DYZYQPBXSA-N 1 2 268.407 1.820 20 30 CDEDLO C[C@@H]1CC(=O)N[C@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000328776518 375952443 /nfs/dbraw/zinc/95/24/43/375952443.db2.gz CREDHQSGWNTXTF-RYUDHWBXSA-N 1 2 297.399 1.809 20 30 CDEDLO C[C@@H]1CC(=O)N[C@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000328776518 375952448 /nfs/dbraw/zinc/95/24/48/375952448.db2.gz CREDHQSGWNTXTF-RYUDHWBXSA-N 1 2 297.399 1.809 20 30 CDEDLO CC#CC[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000124407663 375961383 /nfs/dbraw/zinc/96/13/83/375961383.db2.gz QCYIYWSZRPRSSU-UHFFFAOYSA-N 1 2 272.377 1.837 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)[C@]1(C)CCC(=O)NC1)[NH+]1CCOCC1 ZINC000328673262 375917123 /nfs/dbraw/zinc/91/71/23/375917123.db2.gz OYFDJKBWBYELEZ-YWPYICTPSA-N 1 2 297.399 1.809 20 30 CDEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)NCC1(C#N)CCC1 ZINC000419510553 376140689 /nfs/dbraw/zinc/14/06/89/376140689.db2.gz VPLOUYWGDQCYCP-LLVKDONJSA-N 1 2 275.356 1.957 20 30 CDEDLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000433249825 248017192 /nfs/dbraw/zinc/01/71/92/248017192.db2.gz YIAJFYOPGXQOPZ-OAHLLOKOSA-N 1 2 280.343 1.915 20 30 CDEDLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000433249825 248017196 /nfs/dbraw/zinc/01/71/96/248017196.db2.gz YIAJFYOPGXQOPZ-OAHLLOKOSA-N 1 2 280.343 1.915 20 30 CDEDLO C#CCOc1ccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000081801218 377925523 /nfs/dbraw/zinc/92/55/23/377925523.db2.gz XSHVYVNOOAGFES-AWEZNQCLSA-N 1 2 297.358 1.961 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(CC)Cc1cccc(F)c1 ZINC000192224320 378175975 /nfs/dbraw/zinc/17/59/75/378175975.db2.gz CLEHTPPYUUJMFB-UHFFFAOYSA-N 1 2 262.328 1.739 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N(CC)Cc1cccc(F)c1 ZINC000192224320 378175978 /nfs/dbraw/zinc/17/59/78/378175978.db2.gz CLEHTPPYUUJMFB-UHFFFAOYSA-N 1 2 262.328 1.739 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1cccc2c1N=S=N2 ZINC000192226068 378179026 /nfs/dbraw/zinc/17/90/26/378179026.db2.gz MVVLPHMSNLDSMG-UHFFFAOYSA-N 1 2 260.322 1.917 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1cccc2c1N=S=N2 ZINC000192226068 378179031 /nfs/dbraw/zinc/17/90/31/378179031.db2.gz MVVLPHMSNLDSMG-UHFFFAOYSA-N 1 2 260.322 1.917 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000192236135 378179100 /nfs/dbraw/zinc/17/91/00/378179100.db2.gz OOLMOUPJOHAMJK-UHFFFAOYSA-N 1 2 292.335 1.216 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000192236135 378179106 /nfs/dbraw/zinc/17/91/06/378179106.db2.gz OOLMOUPJOHAMJK-UHFFFAOYSA-N 1 2 292.335 1.216 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc([C@@H](C)O)s2)C1=O ZINC000289736213 378347344 /nfs/dbraw/zinc/34/73/44/378347344.db2.gz PEKHYWKOBLEZMN-ZYHUDNBSSA-N 1 2 295.408 1.415 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc([C@@H](C)O)s2)C1=O ZINC000289736213 378347350 /nfs/dbraw/zinc/34/73/50/378347350.db2.gz PEKHYWKOBLEZMN-ZYHUDNBSSA-N 1 2 295.408 1.415 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C ZINC000293274699 378552117 /nfs/dbraw/zinc/55/21/17/378552117.db2.gz VEAVNQDFIVZPCD-OLZOCXBDSA-N 1 2 279.384 1.346 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C ZINC000293274699 378552122 /nfs/dbraw/zinc/55/21/22/378552122.db2.gz VEAVNQDFIVZPCD-OLZOCXBDSA-N 1 2 279.384 1.346 20 30 CDEDLO CCN1CCOC[C@H]1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329409319 378739269 /nfs/dbraw/zinc/73/92/69/378739269.db2.gz XSHKGNXELWWDME-ZDUSSCGKSA-N 1 2 292.383 1.397 20 30 CDEDLO C#C[C@H](C)NC(=O)NCCCCNc1cccc[nH+]1 ZINC000186072999 378830871 /nfs/dbraw/zinc/83/08/71/378830871.db2.gz GWWGFOYYYLLABA-LBPRGKRZSA-N 1 2 260.341 1.595 20 30 CDEDLO CC[C@H]([NH2+]Cc1ncn(C)n1)c1ccc(C#N)cc1 ZINC000278611004 194067627 /nfs/dbraw/zinc/06/76/27/194067627.db2.gz FQINZJWBDNYOPH-ZDUSSCGKSA-N 1 2 255.325 1.928 20 30 CDEDLO C=C(C)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nc(C)no2)C1 ZINC001662500142 1172554921 /nfs/dbraw/zinc/55/49/21/1172554921.db2.gz NRAWOAILPQTMPR-AAEUAGOBSA-N 1 2 292.383 1.986 20 30 CDEDLO C[N@@H+]1CCO[C@H](C(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 ZINC000173867411 379327107 /nfs/dbraw/zinc/32/71/07/379327107.db2.gz XEOZQQBQUPZIIG-INIZCTEOSA-N 1 2 299.374 1.380 20 30 CDEDLO C[N@H+]1CCO[C@H](C(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 ZINC000173867411 379327112 /nfs/dbraw/zinc/32/71/12/379327112.db2.gz XEOZQQBQUPZIIG-INIZCTEOSA-N 1 2 299.374 1.380 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1noc(-c2ccsc2)n1 ZINC000662165725 412914585 /nfs/dbraw/zinc/91/45/85/412914585.db2.gz NEZKSMXERCDKLV-SECBINFHSA-N 1 2 251.311 1.435 20 30 CDEDLO CCn1cc[nH+]c1CNC(=O)c1ccc(C#N)s1 ZINC000452568874 252097930 /nfs/dbraw/zinc/09/79/30/252097930.db2.gz CZTITFXWUKILFP-UHFFFAOYSA-N 1 2 260.322 1.766 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000192159799 533021335 /nfs/dbraw/zinc/02/13/35/533021335.db2.gz ZJVJBZFZXKOVII-CYBMUJFWSA-N 1 2 257.337 1.580 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492860828 253311351 /nfs/dbraw/zinc/31/13/51/253311351.db2.gz IUNXJBIQNRIUIV-HWKANZROSA-N 1 2 268.276 1.942 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2c(C)onc2CC)C1=O ZINC000281414452 195232941 /nfs/dbraw/zinc/23/29/41/195232941.db2.gz RIKFDFJGBPDSDD-AWEZNQCLSA-N 1 2 277.368 1.764 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2c(C)onc2CC)C1=O ZINC000281414452 195232943 /nfs/dbraw/zinc/23/29/43/195232943.db2.gz RIKFDFJGBPDSDD-AWEZNQCLSA-N 1 2 277.368 1.764 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000153760763 390905128 /nfs/dbraw/zinc/90/51/28/390905128.db2.gz NZZFGWAPLUISGQ-CQSZACIVSA-N 1 2 291.376 1.671 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000153760763 390905129 /nfs/dbraw/zinc/90/51/29/390905129.db2.gz NZZFGWAPLUISGQ-CQSZACIVSA-N 1 2 291.376 1.671 20 30 CDEDLO C[C@@]1(CNC(=O)N2CCn3cc[nH+]c3C2)CCOC1 ZINC000329471653 390994064 /nfs/dbraw/zinc/99/40/64/390994064.db2.gz ZEVVBWYMROITTA-ZDUSSCGKSA-N 1 2 264.329 1.039 20 30 CDEDLO CC[C@]1(C)CN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CCO1 ZINC000329537880 391008018 /nfs/dbraw/zinc/00/80/18/391008018.db2.gz BUJVODABICHJAD-XHDPSFHLSA-N 1 2 292.383 1.682 20 30 CDEDLO CC[C@]1(C)CN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CCO1 ZINC000329537880 391008025 /nfs/dbraw/zinc/00/80/25/391008025.db2.gz BUJVODABICHJAD-XHDPSFHLSA-N 1 2 292.383 1.682 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000491395224 391107841 /nfs/dbraw/zinc/10/78/41/391107841.db2.gz REXUBPILTMJJRT-LLVKDONJSA-N 1 2 287.319 1.437 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000491395224 391107843 /nfs/dbraw/zinc/10/78/43/391107843.db2.gz REXUBPILTMJJRT-LLVKDONJSA-N 1 2 287.319 1.437 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000334433898 391123219 /nfs/dbraw/zinc/12/32/19/391123219.db2.gz DOHWSLKHQIBPEL-LLVKDONJSA-N 1 2 260.341 1.454 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCOC2(CCCC2)C1 ZINC000526056593 391126985 /nfs/dbraw/zinc/12/69/85/391126985.db2.gz QMJHZQOUFQJLKU-CYBMUJFWSA-N 1 2 291.395 1.582 20 30 CDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCOC2(CCCC2)C1 ZINC000526056593 391126988 /nfs/dbraw/zinc/12/69/88/391126988.db2.gz QMJHZQOUFQJLKU-CYBMUJFWSA-N 1 2 291.395 1.582 20 30 CDEDLO N#CC1(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCCCC1 ZINC000336368797 391137384 /nfs/dbraw/zinc/13/73/84/391137384.db2.gz WISPNUGSBRBRET-GFCCVEGCSA-N 1 2 272.352 1.788 20 30 CDEDLO N#CCCN(C(=O)C[N@@H+]1CCCOCC1)c1ccccc1 ZINC000374025888 391141360 /nfs/dbraw/zinc/14/13/60/391141360.db2.gz BHUDOVZUWMCPJA-UHFFFAOYSA-N 1 2 287.363 1.656 20 30 CDEDLO N#CCCN(C(=O)C[N@H+]1CCCOCC1)c1ccccc1 ZINC000374025888 391141363 /nfs/dbraw/zinc/14/13/63/391141363.db2.gz BHUDOVZUWMCPJA-UHFFFAOYSA-N 1 2 287.363 1.656 20 30 CDEDLO Cn1c[nH+]cc1CN1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000375919028 391207172 /nfs/dbraw/zinc/20/71/72/391207172.db2.gz YMHHZRIBYKYQFK-GJZGRUSLSA-N 1 2 274.368 1.847 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCC[N@@H+]1CCOCC1(C)C)OCC ZINC000339302834 391280953 /nfs/dbraw/zinc/28/09/53/391280953.db2.gz OBFZNKDCAVZHKE-CQSZACIVSA-N 1 2 298.427 1.585 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCC[N@H+]1CCOCC1(C)C)OCC ZINC000339302834 391280956 /nfs/dbraw/zinc/28/09/56/391280956.db2.gz OBFZNKDCAVZHKE-CQSZACIVSA-N 1 2 298.427 1.585 20 30 CDEDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)s1 ZINC000353039193 391334085 /nfs/dbraw/zinc/33/40/85/391334085.db2.gz ICPVGPBCLYAZHE-BDAKNGLRSA-N 1 2 281.385 1.258 20 30 CDEDLO C=CCCCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000345777499 391312365 /nfs/dbraw/zinc/31/23/65/391312365.db2.gz LXBVZNBSZWIYKN-LSDHHAIUSA-N 1 2 295.427 1.847 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H](C)Cc1ccc(O)cc1)C(=O)OC ZINC000353286607 391324514 /nfs/dbraw/zinc/32/45/14/391324514.db2.gz MNLBEFGEUHWACD-DOMZBBRYSA-N 1 2 293.363 1.657 20 30 CDEDLO COCC1(C#N)CCN(C(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000345920374 391325520 /nfs/dbraw/zinc/32/55/20/391325520.db2.gz NYATWDHPUFLQHC-UHFFFAOYSA-N 1 2 288.351 1.596 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)NCCOc1ccc(F)cc1 ZINC000339759488 391350052 /nfs/dbraw/zinc/35/00/52/391350052.db2.gz DKWGFAVQOCWYRI-UHFFFAOYSA-N 1 2 278.327 1.276 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)NCCOc1ccc(F)cc1 ZINC000339759488 391350054 /nfs/dbraw/zinc/35/00/54/391350054.db2.gz DKWGFAVQOCWYRI-UHFFFAOYSA-N 1 2 278.327 1.276 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000354458730 391419956 /nfs/dbraw/zinc/41/99/56/391419956.db2.gz MJTYGUDPHYRNHR-IUODEOHRSA-N 1 2 295.383 1.022 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000354458730 391419959 /nfs/dbraw/zinc/41/99/59/391419959.db2.gz MJTYGUDPHYRNHR-IUODEOHRSA-N 1 2 295.383 1.022 20 30 CDEDLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)N(CC)CCC#N ZINC000330458500 391425311 /nfs/dbraw/zinc/42/53/11/391425311.db2.gz RXIAANBPCAKALP-OLZOCXBDSA-N 1 2 267.373 1.248 20 30 CDEDLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)N(CC)CCC#N ZINC000330458500 391425313 /nfs/dbraw/zinc/42/53/13/391425313.db2.gz RXIAANBPCAKALP-OLZOCXBDSA-N 1 2 267.373 1.248 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000330443925 391433840 /nfs/dbraw/zinc/43/38/40/391433840.db2.gz FVXBHDHWTAQAKY-UTUOFQBUSA-N 1 2 266.345 1.079 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC([O-])=[NH+][C@@H]1CCCC[C@@H]1O ZINC000330443925 391433843 /nfs/dbraw/zinc/43/38/43/391433843.db2.gz FVXBHDHWTAQAKY-UTUOFQBUSA-N 1 2 266.345 1.079 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@@]1(C)CC ZINC000330503933 391440059 /nfs/dbraw/zinc/44/00/59/391440059.db2.gz DBMVXDXBCMRTCY-UKRRQHHQSA-N 1 2 281.400 1.495 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOC[C@@]1(C)CC ZINC000330503933 391440064 /nfs/dbraw/zinc/44/00/64/391440064.db2.gz DBMVXDXBCMRTCY-UKRRQHHQSA-N 1 2 281.400 1.495 20 30 CDEDLO C=CCOCC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000354326123 391415255 /nfs/dbraw/zinc/41/52/55/391415255.db2.gz ZPFYKBVLULZKHC-UHFFFAOYSA-N 1 2 273.336 1.664 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000354412229 391418684 /nfs/dbraw/zinc/41/86/84/391418684.db2.gz WXHFLMWDPXSEKB-INIZCTEOSA-N 1 2 285.347 1.816 20 30 CDEDLO Cc1c[nH+]ccc1NC(=O)N1CCC(CC#N)CC1 ZINC000335733488 391552755 /nfs/dbraw/zinc/55/27/55/391552755.db2.gz LRPOIBPTGGPDPW-UHFFFAOYSA-N 1 2 258.325 1.970 20 30 CDEDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(F)(C#N)CC1 ZINC000359355340 391591235 /nfs/dbraw/zinc/59/12/35/391591235.db2.gz ZHIWORMQSQCGTN-ZDUSSCGKSA-N 1 2 297.374 1.342 20 30 CDEDLO CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC(F)(C#N)CC1 ZINC000359355340 391591237 /nfs/dbraw/zinc/59/12/37/391591237.db2.gz ZHIWORMQSQCGTN-ZDUSSCGKSA-N 1 2 297.374 1.342 20 30 CDEDLO O=C(NC[C@H]1CCCCS1)N1CCn2cc[nH+]c2C1 ZINC000329725419 391760669 /nfs/dbraw/zinc/76/06/69/391760669.db2.gz DLIZNQFMDBKZNE-LLVKDONJSA-N 1 2 280.397 1.898 20 30 CDEDLO Cn1cc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)cc1C#N ZINC000191288281 130216057 /nfs/dbraw/zinc/21/60/57/130216057.db2.gz CYGYAJXOBYOURV-KBPBESRZSA-N 1 2 272.352 1.140 20 30 CDEDLO Cn1cc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)cc1C#N ZINC000191288281 130216059 /nfs/dbraw/zinc/21/60/59/130216059.db2.gz CYGYAJXOBYOURV-KBPBESRZSA-N 1 2 272.352 1.140 20 30 CDEDLO CC(C)(CNC(=O)C[C@H]1CCOC1)[NH+]1CCOCC1 ZINC000329789092 391778764 /nfs/dbraw/zinc/77/87/64/391778764.db2.gz SGHZZMTUNSQOEC-GFCCVEGCSA-N 1 2 270.373 1.480 20 30 CDEDLO C=C(C)C[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182475967 391803712 /nfs/dbraw/zinc/80/37/12/391803712.db2.gz UBJLXJZZLDGRPE-UHFFFAOYSA-N 1 2 298.364 1.876 20 30 CDEDLO C=C(C)C[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182475967 391803715 /nfs/dbraw/zinc/80/37/15/391803715.db2.gz UBJLXJZZLDGRPE-UHFFFAOYSA-N 1 2 298.364 1.876 20 30 CDEDLO C[C@@]1(CNC(=O)N2CCn3cc[nH+]c3C2)CCCS1 ZINC000329871037 391791800 /nfs/dbraw/zinc/79/18/00/391791800.db2.gz CCDFSLNFWNODQZ-ZDUSSCGKSA-N 1 2 280.397 1.898 20 30 CDEDLO CCN1CCN(CC(=O)NCC2CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329915642 391798540 /nfs/dbraw/zinc/79/85/40/391798540.db2.gz PUQXWJCIFVQGHL-ZDUSSCGKSA-N 1 2 291.399 1.455 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000408323154 391919890 /nfs/dbraw/zinc/91/98/90/391919890.db2.gz XZIMMGGGDCIKKQ-DOMZBBRYSA-N 1 2 281.400 1.540 20 30 CDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000408323154 391919894 /nfs/dbraw/zinc/91/98/94/391919894.db2.gz XZIMMGGGDCIKKQ-DOMZBBRYSA-N 1 2 281.400 1.540 20 30 CDEDLO C=CCNC(=O)C[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263719458 131315902 /nfs/dbraw/zinc/31/59/02/131315902.db2.gz OKAWJMIHDOAVGC-OAHLLOKOSA-N 1 2 274.364 1.534 20 30 CDEDLO C=CCNC(=O)C[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263719458 131315903 /nfs/dbraw/zinc/31/59/03/131315903.db2.gz OKAWJMIHDOAVGC-OAHLLOKOSA-N 1 2 274.364 1.534 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1O ZINC000442670955 392448520 /nfs/dbraw/zinc/44/85/20/392448520.db2.gz KKUJIZLACOPWOT-LBPRGKRZSA-N 1 2 282.303 1.964 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cccc(C#N)c2)C1 ZINC000194735294 392880196 /nfs/dbraw/zinc/88/01/96/392880196.db2.gz QRXWMUPYDKVYIN-ZDUSSCGKSA-N 1 2 274.324 1.010 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNC(=O)Nc2cccc(C#N)c2)C1 ZINC000194735294 392880202 /nfs/dbraw/zinc/88/02/02/392880202.db2.gz QRXWMUPYDKVYIN-ZDUSSCGKSA-N 1 2 274.324 1.010 20 30 CDEDLO C#CC[N@@H+](CC)CC(=O)Nc1nnc(CC(C)C)s1 ZINC000268935698 132090619 /nfs/dbraw/zinc/09/06/19/132090619.db2.gz GJBLHPXUHMYCOQ-UHFFFAOYSA-N 1 2 280.397 1.630 20 30 CDEDLO C#CC[N@H+](CC)CC(=O)Nc1nnc(CC(C)C)s1 ZINC000268935698 132090620 /nfs/dbraw/zinc/09/06/20/132090620.db2.gz GJBLHPXUHMYCOQ-UHFFFAOYSA-N 1 2 280.397 1.630 20 30 CDEDLO Cc1cc(NC2CCN(C(=O)C(C)C)CC2)c(C#N)c[nH+]1 ZINC000425212778 392995903 /nfs/dbraw/zinc/99/59/03/392995903.db2.gz XEBMLNYGPMEKPS-UHFFFAOYSA-N 1 2 286.379 1.743 20 30 CDEDLO Cc1cc(NCCCc2cnn(C)c2)c(C#N)c[nH+]1 ZINC000425226189 392997038 /nfs/dbraw/zinc/99/70/38/392997038.db2.gz NBMDJSUOKAYNJF-UHFFFAOYSA-N 1 2 255.325 1.462 20 30 CDEDLO Cc1ccc(C#N)c(NCC[N@@H+]2CCO[C@H](C)C2)n1 ZINC000534300162 393097353 /nfs/dbraw/zinc/09/73/53/393097353.db2.gz PDRDGXPVPKLLKQ-GFCCVEGCSA-N 1 2 260.341 1.394 20 30 CDEDLO Cc1ccc(C#N)c(NCC[N@H+]2CCO[C@H](C)C2)n1 ZINC000534300162 393097356 /nfs/dbraw/zinc/09/73/56/393097356.db2.gz PDRDGXPVPKLLKQ-GFCCVEGCSA-N 1 2 260.341 1.394 20 30 CDEDLO N#CCCOCC[NH2+]C1(c2noc(C(F)F)n2)CCC1 ZINC000590183968 393463630 /nfs/dbraw/zinc/46/36/30/393463630.db2.gz KZNHSJOHCRDSMI-UHFFFAOYSA-N 1 2 286.282 1.906 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2cc(C#N)ccc2OC)C[C@@H](C)O1 ZINC000189456247 140115879 /nfs/dbraw/zinc/11/58/79/140115879.db2.gz GYJDUKSZUGJNCL-IUODEOHRSA-N 1 2 290.363 1.803 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2OC)C[C@@H](C)O1 ZINC000189456247 140115880 /nfs/dbraw/zinc/11/58/80/140115880.db2.gz GYJDUKSZUGJNCL-IUODEOHRSA-N 1 2 290.363 1.803 20 30 CDEDLO COC[C@H]1C[N@H+](Cc2cc(C#N)ccc2OC)C[C@H](C)O1 ZINC000189456265 140116656 /nfs/dbraw/zinc/11/66/56/140116656.db2.gz GYJDUKSZUGJNCL-SWLSCSKDSA-N 1 2 290.363 1.803 20 30 CDEDLO COC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2OC)C[C@H](C)O1 ZINC000189456265 140116657 /nfs/dbraw/zinc/11/66/57/140116657.db2.gz GYJDUKSZUGJNCL-SWLSCSKDSA-N 1 2 290.363 1.803 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)s1 ZINC000245748433 140277800 /nfs/dbraw/zinc/27/78/00/140277800.db2.gz GYESAHMAXVBUTF-KGLIPLIRSA-N 1 2 278.377 2.000 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)s1 ZINC000245748433 140277802 /nfs/dbraw/zinc/27/78/02/140277802.db2.gz GYESAHMAXVBUTF-KGLIPLIRSA-N 1 2 278.377 2.000 20 30 CDEDLO COC1(C(=O)NCC2([NH+]3CCOCC3)CC2)CCC1 ZINC000329897959 292081849 /nfs/dbraw/zinc/08/18/49/292081849.db2.gz DKYOBAFYPVQTAQ-UHFFFAOYSA-N 1 2 268.357 1.377 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1ccc(Cl)cn1)C1CC1 ZINC000274220331 397705223 /nfs/dbraw/zinc/70/52/23/397705223.db2.gz VDSKEVKJYMVETJ-UHFFFAOYSA-N 1 2 263.728 1.771 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1ccc(Cl)cn1)C1CC1 ZINC000274220331 397705228 /nfs/dbraw/zinc/70/52/28/397705228.db2.gz VDSKEVKJYMVETJ-UHFFFAOYSA-N 1 2 263.728 1.771 20 30 CDEDLO CC(C)([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1nccs1 ZINC000118848415 398122213 /nfs/dbraw/zinc/12/22/13/398122213.db2.gz HGDKLFGZKRGYGO-CQSZACIVSA-N 1 2 292.408 1.776 20 30 CDEDLO CCn1ncnc1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353596055 155959927 /nfs/dbraw/zinc/95/99/27/155959927.db2.gz MCKVXBNCFYPBTM-CQSZACIVSA-N 1 2 267.336 1.947 20 30 CDEDLO COCCOCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000372346664 160109155 /nfs/dbraw/zinc/10/91/55/160109155.db2.gz OBZYCVQNTLSUCW-MRXNPFEDSA-N 1 2 290.363 1.595 20 30 CDEDLO COCCOCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000372346664 160109157 /nfs/dbraw/zinc/10/91/57/160109157.db2.gz OBZYCVQNTLSUCW-MRXNPFEDSA-N 1 2 290.363 1.595 20 30 CDEDLO COC(C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1)OC ZINC000372903595 160157056 /nfs/dbraw/zinc/15/70/56/160157056.db2.gz ZXQAYWCSKPBAJM-AWEZNQCLSA-N 1 2 276.336 1.550 20 30 CDEDLO COC(C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1)OC ZINC000372903595 160157057 /nfs/dbraw/zinc/15/70/57/160157057.db2.gz ZXQAYWCSKPBAJM-AWEZNQCLSA-N 1 2 276.336 1.550 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)c1 ZINC000374374967 160279986 /nfs/dbraw/zinc/27/99/86/160279986.db2.gz OTEPZTAJIJGTEC-AWEZNQCLSA-N 1 2 281.319 1.068 20 30 CDEDLO N#Cc1cc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)c[nH]1 ZINC000374373189 160280164 /nfs/dbraw/zinc/28/01/64/160280164.db2.gz HEOLJQMYXAIJJM-CQSZACIVSA-N 1 2 281.319 1.068 20 30 CDEDLO Cc1cc(C)c(C#N)c(NCC[NH+]2CCOCC2)n1 ZINC000026920139 171503310 /nfs/dbraw/zinc/50/33/10/171503310.db2.gz YXDGSLNPJARTTO-UHFFFAOYSA-N 1 2 260.341 1.314 20 30 CDEDLO C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000660344923 413549948 /nfs/dbraw/zinc/54/99/48/413549948.db2.gz KQYREAVCNYGLGC-LSDHHAIUSA-N 1 2 295.427 1.705 20 30 CDEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCC[N@H+]1C ZINC000663217974 414057336 /nfs/dbraw/zinc/05/73/36/414057336.db2.gz PFQOXYCJAXIFCQ-FRRDWIJNSA-N 1 2 250.342 1.027 20 30 CDEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCC[N@@H+]1C ZINC000663217974 414057345 /nfs/dbraw/zinc/05/73/45/414057345.db2.gz PFQOXYCJAXIFCQ-FRRDWIJNSA-N 1 2 250.342 1.027 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCOc2ccc(C)cc2C1 ZINC000285633927 196351898 /nfs/dbraw/zinc/35/18/98/196351898.db2.gz RIZNURXFULHYCT-CYBMUJFWSA-N 1 2 272.348 1.327 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCOc2ccc(C)cc2C1 ZINC000285633927 196351900 /nfs/dbraw/zinc/35/19/00/196351900.db2.gz RIZNURXFULHYCT-CYBMUJFWSA-N 1 2 272.348 1.327 20 30 CDEDLO C[C@H](C#N)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000347107823 226053616 /nfs/dbraw/zinc/05/36/16/226053616.db2.gz KOADXWDFVNCSHI-LLVKDONJSA-N 1 2 254.293 1.648 20 30 CDEDLO C[C@H](C(=O)NC1CCCC1)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000329060667 227277285 /nfs/dbraw/zinc/27/72/85/227277285.db2.gz JLBFDQNDBMOLQR-PWSUYJOCSA-N 1 2 267.373 1.437 20 30 CDEDLO C[C@H](C(=O)NC1CCCC1)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000329060667 227277289 /nfs/dbraw/zinc/27/72/89/227277289.db2.gz JLBFDQNDBMOLQR-PWSUYJOCSA-N 1 2 267.373 1.437 20 30 CDEDLO C[C@H](NC(=O)c1csc(=O)[nH]1)[C@H](C)[NH+]1CCOCC1 ZINC000329981702 228005318 /nfs/dbraw/zinc/00/53/18/228005318.db2.gz NTHMECSLTFVDDK-IUCAKERBSA-N 1 2 285.369 1.263 20 30 CDEDLO O=C(NC[C@H]1CCCC1=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000330078783 228034611 /nfs/dbraw/zinc/03/46/11/228034611.db2.gz IFBIDSJEGHJXDE-TZMCWYRMSA-N 1 2 294.395 1.956 20 30 CDEDLO O=C(NC[C@H]1CCCC1=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000330078783 228034613 /nfs/dbraw/zinc/03/46/13/228034613.db2.gz IFBIDSJEGHJXDE-TZMCWYRMSA-N 1 2 294.395 1.956 20 30 CDEDLO [O-]C(N[C@H]1CC[C@H](CO)CC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330267821 228085943 /nfs/dbraw/zinc/08/59/43/228085943.db2.gz IHXLRHIMRKXBIO-AVGNSLFASA-N 1 2 292.383 1.253 20 30 CDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+][C@H]1CC[C@H](CO)CC1 ZINC000330267821 228085946 /nfs/dbraw/zinc/08/59/46/228085946.db2.gz IHXLRHIMRKXBIO-AVGNSLFASA-N 1 2 292.383 1.253 20 30 CDEDLO C=CC[C@H](C)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000116974475 260019621 /nfs/dbraw/zinc/01/96/21/260019621.db2.gz XIWNUTNGJXFSSI-ZDUSSCGKSA-N 1 2 274.368 1.878 20 30 CDEDLO Cc1cc(C(N)=[NH+]OCC(=O)N(C)C2CC2)ccc1F ZINC000049066023 260203148 /nfs/dbraw/zinc/20/31/48/260203148.db2.gz LEHXWQVJULMRRC-UHFFFAOYSA-N 1 2 279.315 1.392 20 30 CDEDLO NC(CN1CCOCC1)=[NH+]OCc1ccc2ccccc2c1 ZINC000131826695 260880819 /nfs/dbraw/zinc/88/08/19/260880819.db2.gz DMEFBWVKIUUNQW-UHFFFAOYSA-N 1 2 299.374 1.961 20 30 CDEDLO NC(COc1cccc(F)c1)=[NH+]OCCC1OCCO1 ZINC000186826632 262111614 /nfs/dbraw/zinc/11/16/14/262111614.db2.gz BMXCNULRCPBPCJ-UHFFFAOYSA-N 1 2 284.287 1.256 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccccc2)C1 ZINC000364587697 262254409 /nfs/dbraw/zinc/25/44/09/262254409.db2.gz NCMUYNPNNBOVEP-ZDUSSCGKSA-N 1 2 278.377 1.063 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccccc2)C1 ZINC000364587697 262254411 /nfs/dbraw/zinc/25/44/11/262254411.db2.gz NCMUYNPNNBOVEP-ZDUSSCGKSA-N 1 2 278.377 1.063 20 30 CDEDLO COC(=O)CN(CC#N)Cc1c(C)[nH+]c2ccccn21 ZINC000160517393 262283049 /nfs/dbraw/zinc/28/30/49/262283049.db2.gz ANRRVAAHAVEPJP-UHFFFAOYSA-N 1 2 272.308 1.141 20 30 CDEDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)N(C)[C@@H](C)CC#N ZINC000451925349 263008233 /nfs/dbraw/zinc/00/82/33/263008233.db2.gz FFJJLEBIFQYWGI-WDEREUQCSA-N 1 2 299.400 1.032 20 30 CDEDLO CC(C)c1noc(CO[NH+]=C(N)[C@H]2CCCO2)n1 ZINC000284479982 263087055 /nfs/dbraw/zinc/08/70/55/263087055.db2.gz RUFFOEMORJQWQD-MRVPVSSYSA-N 1 2 254.290 1.161 20 30 CDEDLO COC(=O)c1cccc(OCC(N)=[NH+]OCCCCF)c1 ZINC000285029756 263089428 /nfs/dbraw/zinc/08/94/28/263089428.db2.gz FHYGIADPNPRSJI-UHFFFAOYSA-N 1 2 298.314 1.891 20 30 CDEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COc1ccc(C#N)cc1 ZINC000292252675 263130262 /nfs/dbraw/zinc/13/02/62/263130262.db2.gz QYBHFZVMAHYLGO-HNNXBMFYSA-N 1 2 285.347 1.700 20 30 CDEDLO C=CC[N@H+](CCC#N)C[C@H](O)COc1ccc(C#N)cc1 ZINC000292252675 263130263 /nfs/dbraw/zinc/13/02/63/263130263.db2.gz QYBHFZVMAHYLGO-HNNXBMFYSA-N 1 2 285.347 1.700 20 30 CDEDLO N#CCCCC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000292767767 263134763 /nfs/dbraw/zinc/13/47/63/263134763.db2.gz WMDOSXPXRVETJY-UHFFFAOYSA-N 1 2 272.352 1.992 20 30 CDEDLO CCc1nocc1C[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000293315313 263139278 /nfs/dbraw/zinc/13/92/78/263139278.db2.gz FSHSZGBXRWOIKD-OAHLLOKOSA-N 1 2 292.383 1.723 20 30 CDEDLO CCc1nocc1C[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000293315313 263139279 /nfs/dbraw/zinc/13/92/79/263139279.db2.gz FSHSZGBXRWOIKD-OAHLLOKOSA-N 1 2 292.383 1.723 20 30 CDEDLO CC(C)[C@@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)c1[nH]cc[nH+]1 ZINC000296263958 263188490 /nfs/dbraw/zinc/18/84/90/263188490.db2.gz YJKMPUSOINWNSL-WDEREUQCSA-N 1 2 299.400 1.175 20 30 CDEDLO C=CC[C@H](C)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000121009860 263290063 /nfs/dbraw/zinc/29/00/63/263290063.db2.gz IAYXVPZENAQKAX-QWHCGFSZSA-N 1 2 274.368 1.924 20 30 CDEDLO N#CCCN(CCCCCF)CC[NH+]1CCOCC1 ZINC000341879204 263361764 /nfs/dbraw/zinc/36/17/64/263361764.db2.gz AZDDTCNAGUHVGT-UHFFFAOYSA-N 1 2 271.380 1.674 20 30 CDEDLO C[C@@H]1CN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CCCO1 ZINC000328604722 263827828 /nfs/dbraw/zinc/82/78/28/263827828.db2.gz IVFQFWMIWOSPCP-CHWSQXEVSA-N 1 2 292.383 1.785 20 30 CDEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)Nc1ncccn1 ZINC000330866429 264057589 /nfs/dbraw/zinc/05/75/89/264057589.db2.gz XRHMMOJBPMKWKB-DCAQKATOSA-N 1 2 259.313 1.085 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000331058666 264109522 /nfs/dbraw/zinc/10/95/22/264109522.db2.gz ROLBXKNPBAVFTL-HIFRSBDPSA-N 1 2 293.411 1.638 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000331058666 264109524 /nfs/dbraw/zinc/10/95/24/264109524.db2.gz ROLBXKNPBAVFTL-HIFRSBDPSA-N 1 2 293.411 1.638 20 30 CDEDLO CC(C)=CCCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000331093910 264119907 /nfs/dbraw/zinc/11/99/07/264119907.db2.gz YUSVQJVQBBSEGH-UHFFFAOYSA-N 1 2 283.416 1.957 20 30 CDEDLO N#CC1(NC(=O)C[N@H+](Cc2ccncc2)C2CC2)CCC1 ZINC000525885970 265032007 /nfs/dbraw/zinc/03/20/07/265032007.db2.gz XKJDGWQJPPGPLI-UHFFFAOYSA-N 1 2 284.363 1.608 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+](Cc2ccncc2)C2CC2)CCC1 ZINC000525885970 265032012 /nfs/dbraw/zinc/03/20/12/265032012.db2.gz XKJDGWQJPPGPLI-UHFFFAOYSA-N 1 2 284.363 1.608 20 30 CDEDLO C=CCCn1cc(C[NH2+][C@@H](CO)c2ccccc2)nn1 ZINC000653599653 424319692 /nfs/dbraw/zinc/31/96/92/424319692.db2.gz YAEAIPOCGXBQON-HNNXBMFYSA-N 1 2 272.352 1.677 20 30 CDEDLO C=CCCNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000661571150 424537304 /nfs/dbraw/zinc/53/73/04/424537304.db2.gz QSBHMRAXDAZZET-UHFFFAOYSA-N 1 2 294.424 1.937 20 30 CDEDLO C=CCCNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000661571150 424537305 /nfs/dbraw/zinc/53/73/05/424537305.db2.gz QSBHMRAXDAZZET-UHFFFAOYSA-N 1 2 294.424 1.937 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@@H](C)C1CCCC1)C(=O)OC ZINC000361110832 266786384 /nfs/dbraw/zinc/78/63/84/266786384.db2.gz IAPCRAOGFUHFNG-AAEUAGOBSA-N 1 2 255.358 1.899 20 30 CDEDLO CCOC[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CCO1 ZINC000528731411 267141517 /nfs/dbraw/zinc/14/15/17/267141517.db2.gz JUPFYSFGVLMGKV-CQSZACIVSA-N 1 2 278.327 1.935 20 30 CDEDLO CCOC[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CCO1 ZINC000528731411 267141520 /nfs/dbraw/zinc/14/15/20/267141520.db2.gz JUPFYSFGVLMGKV-CQSZACIVSA-N 1 2 278.327 1.935 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000369232354 267227508 /nfs/dbraw/zinc/22/75/08/267227508.db2.gz VNLTWZYHZGYNCB-STQMWFEESA-N 1 2 265.357 1.002 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000369232354 267227512 /nfs/dbraw/zinc/22/75/12/267227512.db2.gz VNLTWZYHZGYNCB-STQMWFEESA-N 1 2 265.357 1.002 20 30 CDEDLO C[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)CC2(CCOCC2)O1 ZINC000369283929 267230796 /nfs/dbraw/zinc/23/07/96/267230796.db2.gz PIAACKUUKYOSSA-KGLIPLIRSA-N 1 2 277.368 1.700 20 30 CDEDLO C[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)CC2(CCOCC2)O1 ZINC000369283929 267230798 /nfs/dbraw/zinc/23/07/98/267230798.db2.gz PIAACKUUKYOSSA-KGLIPLIRSA-N 1 2 277.368 1.700 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@H+](C[C@@H](C#N)CCC#N)CCO2 ZINC000369398468 267240871 /nfs/dbraw/zinc/24/08/71/267240871.db2.gz NUFMSQVLNCREBV-MJBXVCDLSA-N 1 2 263.341 1.310 20 30 CDEDLO C[C@@H]1OCC[C@]12C[N@@H+](C[C@@H](C#N)CCC#N)CCO2 ZINC000369398468 267240872 /nfs/dbraw/zinc/24/08/72/267240872.db2.gz NUFMSQVLNCREBV-MJBXVCDLSA-N 1 2 263.341 1.310 20 30 CDEDLO CCc1c[nH+]ccc1NC(=O)c1ccc(C#N)cn1 ZINC000531800896 267243357 /nfs/dbraw/zinc/24/33/57/267243357.db2.gz AASLWHKDIWKQRR-UHFFFAOYSA-N 1 2 252.277 1.585 20 30 CDEDLO CC(C)(C#N)CC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000376749505 268013740 /nfs/dbraw/zinc/01/37/40/268013740.db2.gz PRNRGQOYLBDGEP-LBPRGKRZSA-N 1 2 260.341 1.986 20 30 CDEDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cc2n(n1)CCCO2 ZINC000329639804 295387969 /nfs/dbraw/zinc/38/79/69/295387969.db2.gz ZLKQGEDSUJTKIQ-VIFPVBQESA-N 1 2 287.323 1.251 20 30 CDEDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cc2n(n1)CCCO2 ZINC000329639804 295387972 /nfs/dbraw/zinc/38/79/72/295387972.db2.gz ZLKQGEDSUJTKIQ-VIFPVBQESA-N 1 2 287.323 1.251 20 30 CDEDLO COC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccco1 ZINC000184553401 327829660 /nfs/dbraw/zinc/82/96/60/327829660.db2.gz LXBIBPDYTMEYHQ-WFASDCNBSA-N 1 2 291.351 1.365 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000338890585 327991511 /nfs/dbraw/zinc/99/15/11/327991511.db2.gz STGAPCWQKZPJJA-UHFFFAOYSA-N 1 2 254.374 1.379 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000563365371 328059348 /nfs/dbraw/zinc/05/93/48/328059348.db2.gz CDDNPRSZNQBUPP-LBPRGKRZSA-N 1 2 288.351 1.865 20 30 CDEDLO C=CCCCCNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413454619 328147146 /nfs/dbraw/zinc/14/71/46/328147146.db2.gz LOEYJNNHNSBFFY-UHFFFAOYSA-N 1 2 283.416 1.753 20 30 CDEDLO Cc1cccc(OC[C@@H](O)C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000268357908 328184310 /nfs/dbraw/zinc/18/43/10/328184310.db2.gz GESIJCXBGCIBFF-KGLIPLIRSA-N 1 2 262.353 1.969 20 30 CDEDLO Cc1cccc(OC[C@@H](O)C[N@H+](C)[C@H](C)CC#N)c1 ZINC000268357908 328184312 /nfs/dbraw/zinc/18/43/12/328184312.db2.gz GESIJCXBGCIBFF-KGLIPLIRSA-N 1 2 262.353 1.969 20 30 CDEDLO CCCCc1noc(CO[NH+]=C(N)[C@H]2CCCO2)n1 ZINC000284614976 328246553 /nfs/dbraw/zinc/24/65/53/328246553.db2.gz ZFLQPVABRGCEPM-SECBINFHSA-N 1 2 268.317 1.380 20 30 CDEDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000583761699 325237156 /nfs/dbraw/zinc/23/71/56/325237156.db2.gz ZPUIATPJYWMYBX-CQSZACIVSA-N 1 2 287.367 1.189 20 30 CDEDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000583761699 325237158 /nfs/dbraw/zinc/23/71/58/325237158.db2.gz ZPUIATPJYWMYBX-CQSZACIVSA-N 1 2 287.367 1.189 20 30 CDEDLO CCN1CCN(C[C@@H](C#N)CCC#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000348406256 328579351 /nfs/dbraw/zinc/57/93/51/328579351.db2.gz PAXWVWBKWPZKLF-KGLIPLIRSA-N 1 2 286.383 1.532 20 30 CDEDLO C=CC[C@H](C)NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000117046562 326817331 /nfs/dbraw/zinc/81/73/31/326817331.db2.gz SSADABUWDUAYRK-YNEHKIRRSA-N 1 2 269.389 1.359 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(=O)n2cccc(C)c2n1 ZINC000568180873 326960743 /nfs/dbraw/zinc/96/07/43/326960743.db2.gz FDNFIOOVUFKPHW-LBPRGKRZSA-N 1 2 270.336 1.785 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000565836876 327033260 /nfs/dbraw/zinc/03/32/60/327033260.db2.gz VLHRMNJZJKBTRN-YDHLFZDLSA-N 1 2 277.368 1.932 20 30 CDEDLO N#CC1(CNC(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000559303574 327157145 /nfs/dbraw/zinc/15/71/45/327157145.db2.gz DCCMBNPULQWTGL-UHFFFAOYSA-N 1 2 283.335 1.480 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000560463653 327311119 /nfs/dbraw/zinc/31/11/19/327311119.db2.gz UIYVCXSZSIVERR-LOWVWBTDSA-N 1 2 275.352 1.679 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000560463653 327311120 /nfs/dbraw/zinc/31/11/20/327311120.db2.gz UIYVCXSZSIVERR-LOWVWBTDSA-N 1 2 275.352 1.679 20 30 CDEDLO CCN(CCC#N)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000123993620 327380644 /nfs/dbraw/zinc/38/06/44/327380644.db2.gz VFELHZYTQLBMSG-UHFFFAOYSA-N 1 2 274.324 1.399 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000570686271 327611192 /nfs/dbraw/zinc/61/11/92/327611192.db2.gz BKVXGGOGKSCYAP-AWEZNQCLSA-N 1 2 290.754 1.785 20 30 CDEDLO C[C@H]([C@H](C)NC(=O)C1(C#N)CC(C)C1)[NH+]1CCOCC1 ZINC000532618202 328791588 /nfs/dbraw/zinc/79/15/88/328791588.db2.gz QWNLYNIBJBIRFQ-SBEAFCBVSA-N 1 2 279.384 1.152 20 30 CDEDLO CCC(CC)[C@H](C(=O)N[C@H](C)CC#N)[NH+]1CCOCC1 ZINC000173328692 329146048 /nfs/dbraw/zinc/14/60/48/329146048.db2.gz ZGQCOYPAABFQJG-TZMCWYRMSA-N 1 2 281.400 1.542 20 30 CDEDLO C#CCCCNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000178165680 329197015 /nfs/dbraw/zinc/19/70/15/329197015.db2.gz YLMGFICCKGYUIK-CQSZACIVSA-N 1 2 288.395 1.798 20 30 CDEDLO CC1(C)CC[C@@H](CN(CCC#N)CC[NH+]2CCOCC2)O1 ZINC000187112687 329353307 /nfs/dbraw/zinc/35/33/07/329353307.db2.gz XRCNHGCQEDUFJM-HNNXBMFYSA-N 1 2 295.427 1.492 20 30 CDEDLO CC[C@@H]1C[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)C[C@@H](CC)O1 ZINC000420956591 329791339 /nfs/dbraw/zinc/79/13/39/329791339.db2.gz YNWFIZKGQPIPAH-FMKPAKJESA-N 1 2 293.411 1.684 20 30 CDEDLO N#CC1(C[NH2+]CCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000580435554 330133527 /nfs/dbraw/zinc/13/35/27/330133527.db2.gz AMUYHSSUFLROLM-UHFFFAOYSA-N 1 2 282.340 1.493 20 30 CDEDLO C=CC[N@@H+](CC(=O)NCCOCC)Cc1ccccc1F ZINC000084680501 330362522 /nfs/dbraw/zinc/36/25/22/330362522.db2.gz MKCIQRTYMWWMQH-UHFFFAOYSA-N 1 2 294.370 1.966 20 30 CDEDLO C=CC[N@H+](CC(=O)NCCOCC)Cc1ccccc1F ZINC000084680501 330362523 /nfs/dbraw/zinc/36/25/23/330362523.db2.gz MKCIQRTYMWWMQH-UHFFFAOYSA-N 1 2 294.370 1.966 20 30 CDEDLO N#C[C@H]1COCCN1Cc1c[nH+]cn1Cc1ccccc1 ZINC000445809878 330837753 /nfs/dbraw/zinc/83/77/53/330837753.db2.gz IYXSLONCRMQRNR-HNNXBMFYSA-N 1 2 282.347 1.656 20 30 CDEDLO CCN(CCC#N)S(=O)(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000451548420 331033658 /nfs/dbraw/zinc/03/36/58/331033658.db2.gz NASVSUKVLOPPEE-LLVKDONJSA-N 1 2 299.400 1.177 20 30 CDEDLO C=C(CC)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000456809131 331204573 /nfs/dbraw/zinc/20/45/73/331204573.db2.gz ANYPJGVQZNXOFO-AWEZNQCLSA-N 1 2 266.385 1.712 20 30 CDEDLO C=C(CC)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000456809131 331204574 /nfs/dbraw/zinc/20/45/74/331204574.db2.gz ANYPJGVQZNXOFO-AWEZNQCLSA-N 1 2 266.385 1.712 20 30 CDEDLO Cc1cc(NCC2CCN(CC#N)CC2)nc(C2CC2)[nH+]1 ZINC000471730462 331518728 /nfs/dbraw/zinc/51/87/28/331518728.db2.gz YEUDXUHHJNNGEK-UHFFFAOYSA-N 1 2 285.395 1.732 20 30 CDEDLO C#CC[N@@H+](CC#CC)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000490699705 332106015 /nfs/dbraw/zinc/10/60/15/332106015.db2.gz QVIZZURVVMUDAP-NSHDSACASA-N 1 2 272.270 1.108 20 30 CDEDLO C#CC[N@H+](CC#CC)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000490699705 332106017 /nfs/dbraw/zinc/10/60/17/332106017.db2.gz QVIZZURVVMUDAP-NSHDSACASA-N 1 2 272.270 1.108 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C(C)=O)cc2)CC1 ZINC000490762064 332113629 /nfs/dbraw/zinc/11/36/29/332113629.db2.gz ZYSQOWWDEHRNKC-UHFFFAOYSA-N 1 2 299.374 1.079 20 30 CDEDLO C#CC[N@@H+](Cc1oncc1C(=O)OC)C1CCCC1 ZINC000491181356 332161619 /nfs/dbraw/zinc/16/16/19/332161619.db2.gz SITJWGIAKNZRSX-UHFFFAOYSA-N 1 2 262.309 1.839 20 30 CDEDLO C#CC[N@H+](Cc1oncc1C(=O)OC)C1CCCC1 ZINC000491181356 332161620 /nfs/dbraw/zinc/16/16/20/332161620.db2.gz SITJWGIAKNZRSX-UHFFFAOYSA-N 1 2 262.309 1.839 20 30 CDEDLO C#CCn1ccc(CN(CCOC)c2cccc[nH+]2)n1 ZINC000491360747 332196824 /nfs/dbraw/zinc/19/68/24/332196824.db2.gz HKRRFQCLFUYULF-UHFFFAOYSA-N 1 2 270.336 1.564 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000491484551 332219744 /nfs/dbraw/zinc/21/97/44/332219744.db2.gz JHFGSDMGCIQMND-SECBINFHSA-N 1 2 258.281 1.925 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000491484551 332219745 /nfs/dbraw/zinc/21/97/45/332219745.db2.gz JHFGSDMGCIQMND-SECBINFHSA-N 1 2 258.281 1.925 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](O)c1ccc(F)cc1C ZINC000491516145 332227601 /nfs/dbraw/zinc/22/76/01/332227601.db2.gz RETRFWKDHSDAGD-UKRRQHHQSA-N 1 2 263.312 1.502 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](O)c1ccc(F)cc1C ZINC000491516145 332227602 /nfs/dbraw/zinc/22/76/02/332227602.db2.gz RETRFWKDHSDAGD-UKRRQHHQSA-N 1 2 263.312 1.502 20 30 CDEDLO C#CC[N@@H+](CCOCC1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000491627909 332251159 /nfs/dbraw/zinc/25/11/59/332251159.db2.gz KATUTFRKDCKVLJ-HNNXBMFYSA-N 1 2 299.436 1.316 20 30 CDEDLO C#CC[N@H+](CCOCC1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000491627909 332251160 /nfs/dbraw/zinc/25/11/60/332251160.db2.gz KATUTFRKDCKVLJ-HNNXBMFYSA-N 1 2 299.436 1.316 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000491661553 332271322 /nfs/dbraw/zinc/27/13/22/332271322.db2.gz GEGHGXIDUKRHLB-ZDUSSCGKSA-N 1 2 286.379 1.845 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@@H](CCCC)C1=O ZINC000491665840 332274475 /nfs/dbraw/zinc/27/44/75/332274475.db2.gz PQIRKMRFVVPTPF-MNOVXSKESA-N 1 2 251.330 1.008 20 30 CDEDLO C#C[C@H]1COCCN1C(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000491727814 332310753 /nfs/dbraw/zinc/31/07/53/332310753.db2.gz LUNPGIBGAHULLS-AWEZNQCLSA-N 1 2 297.358 1.595 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CSCC(C)(C)C)CC1 ZINC000491732096 332313540 /nfs/dbraw/zinc/31/35/40/332313540.db2.gz HDRUJUKDPSCOAV-UHFFFAOYSA-N 1 2 268.426 1.543 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1N1CCCC1=O ZINC000491747549 332324659 /nfs/dbraw/zinc/32/46/59/332324659.db2.gz RUBGNWQMSAQROC-ZDUSSCGKSA-N 1 2 299.374 1.705 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1N1CCCC1=O ZINC000491747549 332324660 /nfs/dbraw/zinc/32/46/60/332324660.db2.gz RUBGNWQMSAQROC-ZDUSSCGKSA-N 1 2 299.374 1.705 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@H](O)COc1c(C)cccc1C ZINC000491759965 332331479 /nfs/dbraw/zinc/33/14/79/332331479.db2.gz OZUDPFNGVGLINX-HOTGVXAUSA-N 1 2 289.375 1.377 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](O)COc1c(C)cccc1C ZINC000491759965 332331480 /nfs/dbraw/zinc/33/14/80/332331480.db2.gz OZUDPFNGVGLINX-HOTGVXAUSA-N 1 2 289.375 1.377 20 30 CDEDLO C#C[C@H](NC(=O)N[C@H](C)C[NH+]1CCOCC1)C(C)(C)C ZINC000491770369 332337220 /nfs/dbraw/zinc/33/72/20/332337220.db2.gz PRNOMOJIQUOJFM-OLZOCXBDSA-N 1 2 281.400 1.054 20 30 CDEDLO C#CC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@](C)(F)C1 ZINC000491782880 332346489 /nfs/dbraw/zinc/34/64/89/332346489.db2.gz PSXQICKOOGELMY-AWEZNQCLSA-N 1 2 270.348 1.901 20 30 CDEDLO C#CC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@](C)(F)C1 ZINC000491782880 332346490 /nfs/dbraw/zinc/34/64/90/332346490.db2.gz PSXQICKOOGELMY-AWEZNQCLSA-N 1 2 270.348 1.901 20 30 CDEDLO C#CCN(C)c1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000491811231 332363860 /nfs/dbraw/zinc/36/38/60/332363860.db2.gz LFFFGEZACSORIF-UHFFFAOYSA-N 1 2 263.304 1.885 20 30 CDEDLO COc1cncc(/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000493116764 332426850 /nfs/dbraw/zinc/42/68/50/332426850.db2.gz BSOKJKBSKCZXBM-IYKSTZQJSA-N 1 2 288.351 1.063 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\COc1ccccc1 ZINC000493493489 332442482 /nfs/dbraw/zinc/44/24/82/332442482.db2.gz MRLAPCCIRAWLBN-BSDKJSHOSA-N 1 2 287.363 1.582 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1ccc2c(c1)CCO2 ZINC000493588199 332446080 /nfs/dbraw/zinc/44/60/80/332446080.db2.gz MPTDBYXFRCJTKB-UABRLCRWSA-N 1 2 299.374 1.595 20 30 CDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCC1CCC1 ZINC000176300617 333040923 /nfs/dbraw/zinc/04/09/23/333040923.db2.gz FZDHSSOSJVPAEA-UHFFFAOYSA-N 1 2 293.411 1.641 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC000192238288 333233506 /nfs/dbraw/zinc/23/35/06/333233506.db2.gz FFVLLWDBTYPUGP-KRWDZBQOSA-N 1 2 286.375 1.828 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC000192238288 333233507 /nfs/dbraw/zinc/23/35/07/333233507.db2.gz FFVLLWDBTYPUGP-KRWDZBQOSA-N 1 2 286.375 1.828 20 30 CDEDLO C=C(C)[C@H](Cc1nc([C@@H]2C[N@H+](C)CCN2C)no1)OCC ZINC000547200819 334072699 /nfs/dbraw/zinc/07/26/99/334072699.db2.gz CJSBSGWXCCPCCT-STQMWFEESA-N 1 2 294.399 1.512 20 30 CDEDLO C=C(C)[C@H](Cc1nc([C@@H]2C[N@@H+](C)CCN2C)no1)OCC ZINC000547200819 334072701 /nfs/dbraw/zinc/07/27/01/334072701.db2.gz CJSBSGWXCCPCCT-STQMWFEESA-N 1 2 294.399 1.512 20 30 CDEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3nccs3)CC2)C1=O ZINC000548769756 334173456 /nfs/dbraw/zinc/17/34/56/334173456.db2.gz DMRDXHCFHJTYEZ-GFCCVEGCSA-N 1 2 292.408 1.052 20 30 CDEDLO CN(Cc1ccccc1)C(=O)C[NH2+]C[C@@H](C#N)CCC#N ZINC000548788301 334174033 /nfs/dbraw/zinc/17/40/33/334174033.db2.gz FZNZIAMFBXOGBX-OAHLLOKOSA-N 1 2 284.363 1.678 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000576707405 335238052 /nfs/dbraw/zinc/23/80/52/335238052.db2.gz NQCMGVQWGPVUAA-UPJWGTAASA-N 1 2 263.341 1.684 20 30 CDEDLO C=CC[C@H](CO)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000580568927 335284477 /nfs/dbraw/zinc/28/44/77/335284477.db2.gz UPPCSJKKVAWICK-LBPRGKRZSA-N 1 2 273.336 1.557 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000578140431 335523905 /nfs/dbraw/zinc/52/39/05/335523905.db2.gz JCDFGFCEFHNVFH-SNVBAGLBSA-N 1 2 275.308 1.636 20 30 CDEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1csc(CC)n1 ZINC000184723302 335932065 /nfs/dbraw/zinc/93/20/65/335932065.db2.gz JOABOGDUSKWOMX-SECBINFHSA-N 1 2 296.396 1.368 20 30 CDEDLO N#CCN1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000195215433 336049576 /nfs/dbraw/zinc/04/95/76/336049576.db2.gz VFSVZWXRSMSBGA-UHFFFAOYSA-N 1 2 289.770 1.629 20 30 CDEDLO C[C@H](NCC#N)[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001752146145 1159450265 /nfs/dbraw/zinc/45/02/65/1159450265.db2.gz JGOHXECSMZHOTP-GXTWGEPZSA-N 1 2 289.383 1.225 20 30 CDEDLO C[C@H](NCC#N)[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001752146145 1159450268 /nfs/dbraw/zinc/45/02/68/1159450268.db2.gz JGOHXECSMZHOTP-GXTWGEPZSA-N 1 2 289.383 1.225 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C1(C)CC=CC1 ZINC001754971650 1159493733 /nfs/dbraw/zinc/49/37/33/1159493733.db2.gz RSELHNGLPCCILY-CQSZACIVSA-N 1 2 278.396 1.736 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C1(C)CC=CC1 ZINC001754971650 1159493736 /nfs/dbraw/zinc/49/37/36/1159493736.db2.gz RSELHNGLPCCILY-CQSZACIVSA-N 1 2 278.396 1.736 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000682158863 482615791 /nfs/dbraw/zinc/61/57/91/482615791.db2.gz QMNOHLFMSBSDAJ-MRXNPFEDSA-N 1 2 290.363 1.900 20 30 CDEDLO C[C@@H]1C[C@H](CNC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000330193739 533828679 /nfs/dbraw/zinc/82/86/79/533828679.db2.gz OJIOBYWQJVFPCI-UPJWGTAASA-N 1 2 292.383 1.517 20 30 CDEDLO C[C@@H]1C[C@H](C[NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000330193739 533828688 /nfs/dbraw/zinc/82/86/88/533828688.db2.gz OJIOBYWQJVFPCI-UPJWGTAASA-N 1 2 292.383 1.517 20 30 CDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000049443118 518248958 /nfs/dbraw/zinc/24/89/58/518248958.db2.gz ULQZPKVWPYHICI-UHFFFAOYSA-N 1 2 292.404 1.325 20 30 CDEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000184178060 518282217 /nfs/dbraw/zinc/28/22/17/518282217.db2.gz DTJBUYLLDPBZEV-KGLIPLIRSA-N 1 2 292.379 1.721 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2conc2CC)CC1 ZINC001113315064 1162153140 /nfs/dbraw/zinc/15/31/40/1162153140.db2.gz TZDHKHXSLIELJN-UHFFFAOYSA-N 1 2 293.367 1.197 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(C)(C)C#N)CCC2 ZINC000336530155 534508439 /nfs/dbraw/zinc/50/84/39/534508439.db2.gz LVKFRHIOMADLNL-LLVKDONJSA-N 1 2 260.341 1.735 20 30 CDEDLO N#CC1(NC(=O)C[NH+]2CCC(C(F)(F)F)CC2)CCC1 ZINC000347060359 534569551 /nfs/dbraw/zinc/56/95/51/534569551.db2.gz UHNDOPJCZQAGGL-UHFFFAOYSA-N 1 2 289.301 1.823 20 30 CDEDLO CCC[N@H+](CC(=O)OCC)Cc1ccnc(C#N)c1 ZINC000068760461 521573491 /nfs/dbraw/zinc/57/34/91/521573491.db2.gz HVBASOPHGGLPNT-UHFFFAOYSA-N 1 2 261.325 1.728 20 30 CDEDLO CCC[N@@H+](CC(=O)OCC)Cc1ccnc(C#N)c1 ZINC000068760461 521573494 /nfs/dbraw/zinc/57/34/94/521573494.db2.gz HVBASOPHGGLPNT-UHFFFAOYSA-N 1 2 261.325 1.728 20 30 CDEDLO COCC[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000365846329 521891170 /nfs/dbraw/zinc/89/11/70/521891170.db2.gz HYAYWOOHPUGANR-CQSZACIVSA-N 1 2 278.327 1.935 20 30 CDEDLO COCC[C@@H]1COCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000365846329 521891176 /nfs/dbraw/zinc/89/11/76/521891176.db2.gz HYAYWOOHPUGANR-CQSZACIVSA-N 1 2 278.327 1.935 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@](F)(CO)C1 ZINC000338586616 522044377 /nfs/dbraw/zinc/04/43/77/522044377.db2.gz ICERRURCHTVJGV-OAHLLOKOSA-N 1 2 294.326 1.352 20 30 CDEDLO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@](F)(CO)C1 ZINC000338586616 522044382 /nfs/dbraw/zinc/04/43/82/522044382.db2.gz ICERRURCHTVJGV-OAHLLOKOSA-N 1 2 294.326 1.352 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1nn(C)cc1C#N ZINC000178424353 534676892 /nfs/dbraw/zinc/67/68/92/534676892.db2.gz BJNFVIMZTLVOME-UHFFFAOYSA-N 1 2 294.318 1.589 20 30 CDEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCN(C)C1=O ZINC000352813728 526561378 /nfs/dbraw/zinc/56/13/78/526561378.db2.gz FAFXYSRBQFSLLG-CQSZACIVSA-N 1 2 278.352 1.381 20 30 CDEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCN(C)C1=O ZINC000352813728 526561382 /nfs/dbraw/zinc/56/13/82/526561382.db2.gz FAFXYSRBQFSLLG-CQSZACIVSA-N 1 2 278.352 1.381 20 30 CDEDLO CC(=O)N1CC[NH+](CCNC(=O)C(C)(C)C2CC2)CC1 ZINC000329256229 526623867 /nfs/dbraw/zinc/62/38/67/526623867.db2.gz XLTKACIHXRZEGV-UHFFFAOYSA-N 1 2 281.400 1.543 20 30 CDEDLO C=CCCCC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000347595603 527106565 /nfs/dbraw/zinc/10/65/65/527106565.db2.gz ATHPDMOSSKIWFG-CYBMUJFWSA-N 1 2 254.374 1.570 20 30 CDEDLO C=CCCCC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000347595603 527106571 /nfs/dbraw/zinc/10/65/71/527106571.db2.gz ATHPDMOSSKIWFG-CYBMUJFWSA-N 1 2 254.374 1.570 20 30 CDEDLO C=CCCO[C@H](C)C(=O)NCCCNc1cccc[nH+]1 ZINC000115161250 527396151 /nfs/dbraw/zinc/39/61/51/527396151.db2.gz PLGTYCPFDPAICD-CYBMUJFWSA-N 1 2 277.368 1.981 20 30 CDEDLO C=C[C@@H](C)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000335293469 527402943 /nfs/dbraw/zinc/40/29/43/527402943.db2.gz ZKALSDYBFIMSTC-GFCCVEGCSA-N 1 2 260.341 1.488 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000331539783 528695995 /nfs/dbraw/zinc/69/59/95/528695995.db2.gz VKHJRHMSIWLKEU-NFAWXSAZSA-N 1 2 293.411 1.494 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000331539783 528695999 /nfs/dbraw/zinc/69/59/99/528695999.db2.gz VKHJRHMSIWLKEU-NFAWXSAZSA-N 1 2 293.411 1.494 20 30 CDEDLO CCN1CCC[N@H+](Cc2ccc(C#N)cc2OC)CC1=O ZINC000190209517 535517849 /nfs/dbraw/zinc/51/78/49/535517849.db2.gz CSXMAZKLTOYQDS-UHFFFAOYSA-N 1 2 287.363 1.621 20 30 CDEDLO CCN1CCC[N@@H+](Cc2ccc(C#N)cc2OC)CC1=O ZINC000190209517 535517857 /nfs/dbraw/zinc/51/78/57/535517857.db2.gz CSXMAZKLTOYQDS-UHFFFAOYSA-N 1 2 287.363 1.621 20 30 CDEDLO CN1CCC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1=O ZINC000328980110 538443952 /nfs/dbraw/zinc/44/39/52/538443952.db2.gz XRPOFGBBJZUQMM-JQWIXIFHSA-N 1 2 276.340 1.023 20 30 CDEDLO Cn1ccc(N2CCC[C@H]([NH2+][C@H]3CCC[C@H]3C#N)C2=O)n1 ZINC000329556006 538583034 /nfs/dbraw/zinc/58/30/34/538583034.db2.gz DVTSWNFDQOWSIU-AVGNSLFASA-N 1 2 287.367 1.197 20 30 CDEDLO C#Cc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000728866016 574666877 /nfs/dbraw/zinc/66/68/77/574666877.db2.gz VNWFSEGLGGIQRQ-ZDUSSCGKSA-N 1 2 280.331 1.806 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000730094409 574848160 /nfs/dbraw/zinc/84/81/60/574848160.db2.gz HAIZXJAUZLGLOF-HNNXBMFYSA-N 1 2 285.347 1.681 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000730094409 574848162 /nfs/dbraw/zinc/84/81/62/574848162.db2.gz HAIZXJAUZLGLOF-HNNXBMFYSA-N 1 2 285.347 1.681 20 30 CDEDLO Cn1c[nH+]c2c1CCN(Cc1ccc(OCC#N)cc1)C2 ZINC000731212594 575038717 /nfs/dbraw/zinc/03/87/17/575038717.db2.gz FLGORGMMTJEFTM-UHFFFAOYSA-N 1 2 282.347 1.881 20 30 CDEDLO Cn1cnc2c1CC[N@H+](Cc1ccc(OCC#N)cc1)C2 ZINC000731212594 575038720 /nfs/dbraw/zinc/03/87/20/575038720.db2.gz FLGORGMMTJEFTM-UHFFFAOYSA-N 1 2 282.347 1.881 20 30 CDEDLO Cn1cnc2c1CC[N@@H+](Cc1ccc(OCC#N)cc1)C2 ZINC000731212594 575038723 /nfs/dbraw/zinc/03/87/23/575038723.db2.gz FLGORGMMTJEFTM-UHFFFAOYSA-N 1 2 282.347 1.881 20 30 CDEDLO C#CCOc1ccc(C[NH2+]Cc2nnnn2CC2CC2)cc1 ZINC000769935105 575398956 /nfs/dbraw/zinc/39/89/56/575398956.db2.gz QXENGVNDOPQXME-UHFFFAOYSA-N 1 2 297.362 1.385 20 30 CDEDLO CC(C)(C)NC(=S)NN=Cc1cccc2[nH+]ccn21 ZINC000771088343 575547614 /nfs/dbraw/zinc/54/76/14/575547614.db2.gz KYALMWACXMFWKQ-UHFFFAOYSA-N 1 2 275.381 1.931 20 30 CDEDLO C#CCOc1ccc(C(=O)OCCn2cc[nH+]c2)cc1 ZINC000771974638 575643837 /nfs/dbraw/zinc/64/38/37/575643837.db2.gz HVRGAKCLZAUTBI-UHFFFAOYSA-N 1 2 270.288 1.752 20 30 CDEDLO C#CCNC(=S)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000764927967 575965413 /nfs/dbraw/zinc/96/54/13/575965413.db2.gz GQKHNWDJRJDCCJ-GFCCVEGCSA-N 1 2 293.461 1.934 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C(C)=O)c(C)n1 ZINC000765345469 576010252 /nfs/dbraw/zinc/01/02/52/576010252.db2.gz CVNKVNSJJLUHJN-INIZCTEOSA-N 1 2 299.374 1.306 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C(C)=O)c(C)n1 ZINC000765345469 576010254 /nfs/dbraw/zinc/01/02/54/576010254.db2.gz CVNKVNSJJLUHJN-INIZCTEOSA-N 1 2 299.374 1.306 20 30 CDEDLO N#Cc1c2c(cn(C[N@@H+]3CC[C@]4(CCOC4)C3)c1=O)CCC2 ZINC000766634753 576117479 /nfs/dbraw/zinc/11/74/79/576117479.db2.gz ZLKVKWJZHBJFRW-KRWDZBQOSA-N 1 2 299.374 1.279 20 30 CDEDLO N#Cc1c2c(cn(C[N@H+]3CC[C@]4(CCOC4)C3)c1=O)CCC2 ZINC000766634753 576117480 /nfs/dbraw/zinc/11/74/80/576117480.db2.gz ZLKVKWJZHBJFRW-KRWDZBQOSA-N 1 2 299.374 1.279 20 30 CDEDLO CN(C)c1cc(COC(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC000767560095 576204741 /nfs/dbraw/zinc/20/47/41/576204741.db2.gz JDPLMBPKHMIYFM-UHFFFAOYSA-N 1 2 270.292 1.704 20 30 CDEDLO C=CCn1nnn(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1=S ZINC000740860390 576519275 /nfs/dbraw/zinc/51/92/75/576519275.db2.gz PTULQQZNABZAKY-UWVGGRQHSA-N 1 2 253.375 1.683 20 30 CDEDLO C=CCn1nnn(C[N@H+]2C[C@@H](C)C[C@@H]2C)c1=S ZINC000740860390 576519279 /nfs/dbraw/zinc/51/92/79/576519279.db2.gz PTULQQZNABZAKY-UWVGGRQHSA-N 1 2 253.375 1.683 20 30 CDEDLO Cc1c(C(C)N=Nc2ccc(-n3cc[nH+]c3)nn2)cnn1C ZINC000761837816 576596646 /nfs/dbraw/zinc/59/66/46/576596646.db2.gz WQNZMKXXRNNLLD-UHFFFAOYSA-N 1 2 296.338 1.540 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)C[C@@H]2CCCC[C@H]2C)CC1 ZINC000744419311 576679893 /nfs/dbraw/zinc/67/98/93/576679893.db2.gz YFHKUJUPDSOXGJ-CABCVRRESA-N 1 2 262.397 1.980 20 30 CDEDLO N#Cc1ccccc1OCC(=O)OCCCn1cc[nH+]c1 ZINC000763290033 576729526 /nfs/dbraw/zinc/72/95/26/576729526.db2.gz ZEKBEVKQFXFFRQ-UHFFFAOYSA-N 1 2 285.303 1.767 20 30 CDEDLO COC(=O)[C@](C)([NH2+]C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000763560838 576742146 /nfs/dbraw/zinc/74/21/46/576742146.db2.gz PJUKYBFIJGQZOP-GOEBONIOSA-N 1 2 288.347 1.523 20 30 CDEDLO C=C(C)CN(CC)C(=O)CO[NH+]=C(N)COC(C)C ZINC000747825370 576885536 /nfs/dbraw/zinc/88/55/36/576885536.db2.gz OZPKSKHOGFDBNV-UHFFFAOYSA-N 1 2 271.361 1.334 20 30 CDEDLO CCCCON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000754280240 576889950 /nfs/dbraw/zinc/88/99/50/576889950.db2.gz LBBBUHAXRHRJIX-UHFFFAOYSA-N 1 2 291.395 1.956 20 30 CDEDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000748367055 576909294 /nfs/dbraw/zinc/90/92/94/576909294.db2.gz AINGKLPNLVKOFU-UHFFFAOYSA-N 1 2 296.321 1.688 20 30 CDEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000748367055 576909295 /nfs/dbraw/zinc/90/92/95/576909295.db2.gz AINGKLPNLVKOFU-UHFFFAOYSA-N 1 2 296.321 1.688 20 30 CDEDLO CCC(CC)([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C(=O)OC ZINC000754919917 576922022 /nfs/dbraw/zinc/92/20/22/576922022.db2.gz SSWDXIQOMIVMAF-CQSZACIVSA-N 1 2 290.363 1.913 20 30 CDEDLO Cn1c[nH+]cc1C=NNC(=S)Nc1cccnc1 ZINC000755509550 576947523 /nfs/dbraw/zinc/94/75/23/576947523.db2.gz ZDOMZXPVCVWTOA-UHFFFAOYSA-N 1 2 260.326 1.136 20 30 CDEDLO C#CCOCCC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000755634587 576952920 /nfs/dbraw/zinc/95/29/20/576952920.db2.gz WRGYVNMPMHNZBA-CYBMUJFWSA-N 1 2 277.368 1.454 20 30 CDEDLO CCOC[C@@H]1CC[N@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000758230515 577086234 /nfs/dbraw/zinc/08/62/34/577086234.db2.gz JYQGETAVDNOCCD-CYBMUJFWSA-N 1 2 275.352 1.344 20 30 CDEDLO CCOC[C@@H]1CC[N@@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000758230515 577086237 /nfs/dbraw/zinc/08/62/37/577086237.db2.gz JYQGETAVDNOCCD-CYBMUJFWSA-N 1 2 275.352 1.344 20 30 CDEDLO COC(=O)C[C@@H]1CCC[N@@H+]1Cn1ccc(C)c(C#N)c1=O ZINC000758242112 577089270 /nfs/dbraw/zinc/08/92/70/577089270.db2.gz XNRHVMBODXRTMO-LBPRGKRZSA-N 1 2 289.335 1.013 20 30 CDEDLO COC(=O)C[C@@H]1CCC[N@H+]1Cn1ccc(C)c(C#N)c1=O ZINC000758242112 577089273 /nfs/dbraw/zinc/08/92/73/577089273.db2.gz XNRHVMBODXRTMO-LBPRGKRZSA-N 1 2 289.335 1.013 20 30 CDEDLO COc1cccc(C=NOCc2c[nH+]cn2C)c1OC ZINC000753117472 577147027 /nfs/dbraw/zinc/14/70/27/577147027.db2.gz JODLLXLWKIBOAP-UHFFFAOYSA-N 1 2 275.308 1.988 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@@H](CC)O2)C1 ZINC000950453438 612990862 /nfs/dbraw/zinc/99/08/62/612990862.db2.gz VTFIUDODZOFKKF-CABCVRRESA-N 1 2 278.396 1.500 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000823878083 608069466 /nfs/dbraw/zinc/06/94/66/608069466.db2.gz NYXYNAADPHKRSA-CQSZACIVSA-N 1 2 285.351 1.816 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000823878083 608069467 /nfs/dbraw/zinc/06/94/67/608069467.db2.gz NYXYNAADPHKRSA-CQSZACIVSA-N 1 2 285.351 1.816 20 30 CDEDLO C#CCSCCNc1[nH+]ccc(C)c1-c1nn[nH]n1 ZINC000823861496 609558352 /nfs/dbraw/zinc/55/83/52/609558352.db2.gz KNIBWGHNJNCVAT-UHFFFAOYSA-N 1 2 274.353 1.348 20 30 CDEDLO C#Cc1cccc(NC(=O)C[NH+]2CC([C@@H](C)NC(C)=O)C2)c1 ZINC000969176081 613203753 /nfs/dbraw/zinc/20/37/53/613203753.db2.gz GLWIAVBTZHBCON-GFCCVEGCSA-N 1 2 299.374 1.063 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C3(CF)CC3)CC2)C1 ZINC000949470829 613210585 /nfs/dbraw/zinc/21/05/85/613210585.db2.gz LDFAIQDUBFAAAW-UHFFFAOYSA-N 1 2 294.370 1.063 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C3(CF)CC3)CC2)C1 ZINC000949470829 613210587 /nfs/dbraw/zinc/21/05/87/613210587.db2.gz LDFAIQDUBFAAAW-UHFFFAOYSA-N 1 2 294.370 1.063 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC=CCC3)C2)C1 ZINC000972256688 613212875 /nfs/dbraw/zinc/21/28/75/613212875.db2.gz OVUXYOBPGVJKRZ-DOTOQJQBSA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC=CCC3)C2)C1 ZINC000972256688 613212877 /nfs/dbraw/zinc/21/28/77/613212877.db2.gz OVUXYOBPGVJKRZ-DOTOQJQBSA-N 1 2 288.391 1.279 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2sccc2F)C1 ZINC000965997075 613217689 /nfs/dbraw/zinc/21/76/89/613217689.db2.gz VZRMREGAFQJZMM-PWSUYJOCSA-N 1 2 280.368 1.961 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2sccc2F)C1 ZINC000965997075 613217690 /nfs/dbraw/zinc/21/76/90/613217690.db2.gz VZRMREGAFQJZMM-PWSUYJOCSA-N 1 2 280.368 1.961 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccn(C)c2)C1 ZINC000949887352 613296959 /nfs/dbraw/zinc/29/69/59/613296959.db2.gz AIKISCCZMRKJGO-UHFFFAOYSA-N 1 2 261.369 1.748 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2n[nH]cc2C)C1 ZINC000950038077 613297519 /nfs/dbraw/zinc/29/75/19/613297519.db2.gz SUIJCWRCKCBDOL-UHFFFAOYSA-N 1 2 262.357 1.441 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC000950607994 613319303 /nfs/dbraw/zinc/31/93/03/613319303.db2.gz ITAOFTGPFSSIKJ-CHWSQXEVSA-N 1 2 252.358 1.274 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnn(C)c2CC)CC1 ZINC000949076499 613321858 /nfs/dbraw/zinc/32/18/58/613321858.db2.gz OAOJCWBXQJYGRZ-UHFFFAOYSA-N 1 2 276.384 1.316 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cnc(C3CC3)nc2)CC1 ZINC000951219267 613321918 /nfs/dbraw/zinc/32/19/18/613321918.db2.gz WVXGDMAIKFXSNU-UHFFFAOYSA-N 1 2 286.379 1.688 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnn(C)c2C)C1 ZINC000969313105 613371905 /nfs/dbraw/zinc/37/19/05/613371905.db2.gz FTMUVDGHZYLWPK-SNVBAGLBSA-N 1 2 296.802 1.531 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCOC2)C1 ZINC000969388920 613372117 /nfs/dbraw/zinc/37/21/17/613372117.db2.gz HQDVVLGUUGQXFX-NWDGAFQWSA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)CN1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000981079533 613373262 /nfs/dbraw/zinc/37/32/62/613373262.db2.gz FHSZXLAWCCXLKJ-UHFFFAOYSA-N 1 2 296.802 1.629 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC000965958817 613375558 /nfs/dbraw/zinc/37/55/58/613375558.db2.gz PDLUBIVWHUOQAO-KOLCDFICSA-N 1 2 297.790 1.008 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC000965958817 613375559 /nfs/dbraw/zinc/37/55/59/613375559.db2.gz PDLUBIVWHUOQAO-KOLCDFICSA-N 1 2 297.790 1.008 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C2CC2)C1 ZINC000964604631 613377805 /nfs/dbraw/zinc/37/78/05/613377805.db2.gz WPWRFFUTIJNHSJ-JOYOIKCWSA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2CC2)C1 ZINC000964604631 613377806 /nfs/dbraw/zinc/37/78/06/613377806.db2.gz WPWRFFUTIJNHSJ-JOYOIKCWSA-N 1 2 256.777 1.976 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CC2CC(OCC)C2)CC1 ZINC000949810365 613561891 /nfs/dbraw/zinc/56/18/91/613561891.db2.gz NBBZEXBUCIMKOJ-UHFFFAOYSA-N 1 2 278.396 1.359 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)CC1 ZINC000948979961 613562494 /nfs/dbraw/zinc/56/24/94/613562494.db2.gz XUGMJDIPHWIKFL-ILXRZTDVSA-N 1 2 260.381 1.590 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)Cc2cnn3ccccc23)CC1 ZINC000948819005 613563992 /nfs/dbraw/zinc/56/39/92/613563992.db2.gz QZGVTHGEYPCPQZ-UHFFFAOYSA-N 1 2 296.374 1.044 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2nccs2)CC1 ZINC000957697563 613708412 /nfs/dbraw/zinc/70/84/12/613708412.db2.gz RYVRGHIZBUHXPT-UHFFFAOYSA-N 1 2 265.382 1.406 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2CCOC[C@@H]2OCC)CC1 ZINC000949354394 613708685 /nfs/dbraw/zinc/70/86/85/613708685.db2.gz YODAWMGVZYAGJJ-GJZGRUSLSA-N 1 2 296.411 1.148 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)Cc2cncc(C)c2)CC1 ZINC000949491703 613709873 /nfs/dbraw/zinc/70/98/73/613709873.db2.gz VSFZMLPYCOQKLE-UHFFFAOYSA-N 1 2 259.353 1.263 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1 ZINC000948764618 613715816 /nfs/dbraw/zinc/71/58/16/613715816.db2.gz CAKSICGOZPRSRG-UHFFFAOYSA-N 1 2 296.374 1.816 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(-n3cncn3)cc2)CC1 ZINC000948871783 613715836 /nfs/dbraw/zinc/71/58/36/613715836.db2.gz OUGLIGFQNQVPEY-UHFFFAOYSA-N 1 2 297.362 1.211 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cccnc2C2CC2)CC1 ZINC000949099363 613717393 /nfs/dbraw/zinc/71/73/93/613717393.db2.gz OGXYLIJRAPASDF-UHFFFAOYSA-N 1 2 271.364 1.903 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC(C)(F)F)C2)C1 ZINC000972532928 613725418 /nfs/dbraw/zinc/72/54/18/613725418.db2.gz XJSLWJDJISMNSV-CQSZACIVSA-N 1 2 288.338 1.521 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CC(C)(F)F)C2)C1 ZINC000972532928 613725423 /nfs/dbraw/zinc/72/54/23/613725423.db2.gz XJSLWJDJISMNSV-CQSZACIVSA-N 1 2 288.338 1.521 20 30 CDEDLO C=CC[N@H+](CN1C[C@H](C)[C@H](C)C1=O)[C@H](C)COC ZINC000853535177 617415875 /nfs/dbraw/zinc/41/58/75/617415875.db2.gz QGYREWVILPYXTQ-XQQFMLRXSA-N 1 2 254.374 1.581 20 30 CDEDLO C=CC[N@@H+](CN1C[C@H](C)[C@H](C)C1=O)[C@H](C)COC ZINC000853535177 617415876 /nfs/dbraw/zinc/41/58/76/617415876.db2.gz QGYREWVILPYXTQ-XQQFMLRXSA-N 1 2 254.374 1.581 20 30 CDEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(C#N)cc2C)CC1 ZINC000891617631 617506575 /nfs/dbraw/zinc/50/65/75/617506575.db2.gz YWSJTLXWFXVRCQ-UHFFFAOYSA-N 1 2 298.390 1.291 20 30 CDEDLO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)cs1 ZINC000893598842 617641789 /nfs/dbraw/zinc/64/17/89/617641789.db2.gz WXFUKPHGBHXKCB-LBPRGKRZSA-N 1 2 290.392 1.656 20 30 CDEDLO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)cs1 ZINC000893598842 617641796 /nfs/dbraw/zinc/64/17/96/617641796.db2.gz WXFUKPHGBHXKCB-LBPRGKRZSA-N 1 2 290.392 1.656 20 30 CDEDLO N#Cc1c2c(cn(C[NH+]3CCC4(CCO4)CC3)c1=O)CCC2 ZINC000799957116 618401724 /nfs/dbraw/zinc/40/17/24/618401724.db2.gz ADAOVRPOPVOMSR-UHFFFAOYSA-N 1 2 299.374 1.421 20 30 CDEDLO C=CCOC[C@H]([NH2+]C1C[C@H]2CCC[C@@H]2C1)C(=O)OC ZINC000894191681 618684805 /nfs/dbraw/zinc/68/48/05/618684805.db2.gz CJCXEHIFVNETRF-BZPMIXESSA-N 1 2 267.369 1.899 20 30 CDEDLO CCc1oc(C[NH2+][C@H]2CCCN(O)C2=O)cc1C(=O)OC ZINC000895157633 619372863 /nfs/dbraw/zinc/37/28/63/619372863.db2.gz DHFKSVCPOBFPKO-NSHDSACASA-N 1 2 296.323 1.098 20 30 CDEDLO Cc1ccc(C#N)c(N2CC[NH+](Cc3cn[nH]c3)CC2)n1 ZINC000895960173 619917121 /nfs/dbraw/zinc/91/71/21/619917121.db2.gz OKDMNMFANIASLH-UHFFFAOYSA-N 1 2 282.351 1.307 20 30 CDEDLO C=C1CCC(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000896044317 619962569 /nfs/dbraw/zinc/96/25/69/619962569.db2.gz YMYPRAWVSFADQO-ZDUSSCGKSA-N 1 2 266.385 1.570 20 30 CDEDLO C=C1CCC(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000896044317 619962572 /nfs/dbraw/zinc/96/25/72/619962572.db2.gz YMYPRAWVSFADQO-ZDUSSCGKSA-N 1 2 266.385 1.570 20 30 CDEDLO N#Cc1c[nH]c(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000902850156 625515608 /nfs/dbraw/zinc/51/56/08/625515608.db2.gz JTXHRKOVUKJXES-UHFFFAOYSA-N 1 2 295.346 1.998 20 30 CDEDLO C=C1C[NH+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000899900210 622511784 /nfs/dbraw/zinc/51/17/84/622511784.db2.gz MABMDSKSEQCVPE-AWEZNQCLSA-N 1 2 258.321 1.364 20 30 CDEDLO Cc1[nH]c(C=C2S/C(=N/C3CC3)NC2=O)[nH+]c1C ZINC000901537907 624325277 /nfs/dbraw/zinc/32/52/77/624325277.db2.gz JUNNUKXYEHRYTJ-UITAMQMPSA-N 1 2 262.338 1.749 20 30 CDEDLO Cc1[nH]c(C=C2SC(=NC3CC3)NC2=O)[nH+]c1C ZINC000901537907 624325279 /nfs/dbraw/zinc/32/52/79/624325279.db2.gz JUNNUKXYEHRYTJ-UITAMQMPSA-N 1 2 262.338 1.749 20 30 CDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CNc1cccc[nH+]1 ZINC000907949551 627918947 /nfs/dbraw/zinc/91/89/47/627918947.db2.gz XWAUOBIXQIFWTN-IUODEOHRSA-N 1 2 275.352 1.591 20 30 CDEDLO C#CCSCC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000913816982 630804016 /nfs/dbraw/zinc/80/40/16/630804016.db2.gz DWNGXKQXGTUYPK-CQSZACIVSA-N 1 2 292.379 1.665 20 30 CDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C\c1ccccc1C#N ZINC000915264046 631688488 /nfs/dbraw/zinc/68/84/88/631688488.db2.gz HHSKRPRZFCNDGJ-FWWRYZNZSA-N 1 2 280.331 1.973 20 30 CDEDLO C#CCN(C(=O)NCC[N@@H+]1CCOCC1(C)C)C(C)C ZINC000916619551 632038988 /nfs/dbraw/zinc/03/89/88/632038988.db2.gz NNQVSSRCNIEASI-UHFFFAOYSA-N 1 2 281.400 1.150 20 30 CDEDLO C#CCN(C(=O)NCC[N@H+]1CCOCC1(C)C)C(C)C ZINC000916619551 632038992 /nfs/dbraw/zinc/03/89/92/632038992.db2.gz NNQVSSRCNIEASI-UHFFFAOYSA-N 1 2 281.400 1.150 20 30 CDEDLO C=CC[N@H+](CN1C(=O)N[C@](C)(C(C)C)C1=O)C(C)C ZINC000917481473 632220346 /nfs/dbraw/zinc/22/03/46/632220346.db2.gz LEPCWJMMTBQPHA-CQSZACIVSA-N 1 2 267.373 1.807 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)N[C@](C)(C(C)C)C1=O)C(C)C ZINC000917481473 632220354 /nfs/dbraw/zinc/22/03/54/632220354.db2.gz LEPCWJMMTBQPHA-CQSZACIVSA-N 1 2 267.373 1.807 20 30 CDEDLO C#CCCS(=O)(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000920616809 632812323 /nfs/dbraw/zinc/81/23/23/632812323.db2.gz XSWNPABVONZBQG-UHFFFAOYSA-N 1 2 293.392 1.311 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CC12CCC2 ZINC001690980272 1158512181 /nfs/dbraw/zinc/51/21/81/1158512181.db2.gz BTBOOXMOPZPGFM-LLVKDONJSA-N 1 2 256.777 1.977 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CC12CCC2 ZINC001690980272 1158512183 /nfs/dbraw/zinc/51/21/83/1158512183.db2.gz BTBOOXMOPZPGFM-LLVKDONJSA-N 1 2 256.777 1.977 20 30 CDEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)C2CCCCC2)CC1 ZINC000040366809 1158582460 /nfs/dbraw/zinc/58/24/60/1158582460.db2.gz VMKOCTGNXDVAHP-UHFFFAOYSA-N 1 2 285.413 1.226 20 30 CDEDLO CCOC(=O)[C@H](C#N)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001170370444 1162345093 /nfs/dbraw/zinc/34/50/93/1162345093.db2.gz XZQNESDRWQGWGG-AWEZNQCLSA-N 1 2 284.319 1.799 20 30 CDEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)c2cccc(F)c2)CC1 ZINC000040366826 1158583855 /nfs/dbraw/zinc/58/38/55/1158583855.db2.gz RVFWYGAKTQCMHE-UHFFFAOYSA-N 1 2 297.355 1.092 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1c[nH]cc1C ZINC001267230568 1159195620 /nfs/dbraw/zinc/19/56/20/1159195620.db2.gz SOVLLXXATHOMMH-UHFFFAOYSA-N 1 2 255.749 1.737 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1c[nH]cc1C ZINC001267230568 1159195624 /nfs/dbraw/zinc/19/56/24/1159195624.db2.gz SOVLLXXATHOMMH-UHFFFAOYSA-N 1 2 255.749 1.737 20 30 CDEDLO C#CC[N@H+]1C[C@H](NC(=O)C(=O)C(C)(C)C)CC[C@H]1C ZINC001131935542 1163123313 /nfs/dbraw/zinc/12/33/13/1163123313.db2.gz VVSFBGOUFRQDGS-VXGBXAGGSA-N 1 2 264.369 1.204 20 30 CDEDLO C#CC[N@@H+]1C[C@H](NC(=O)C(=O)C(C)(C)C)CC[C@H]1C ZINC001131935542 1163123318 /nfs/dbraw/zinc/12/33/18/1163123318.db2.gz VVSFBGOUFRQDGS-VXGBXAGGSA-N 1 2 264.369 1.204 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC(C)(C)O)CC[C@H]1C ZINC001132009067 1163142255 /nfs/dbraw/zinc/14/22/55/1163142255.db2.gz GAOMZWXIGPMSPE-VXGBXAGGSA-N 1 2 288.819 1.869 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC(C)(C)O)CC[C@H]1C ZINC001132009067 1163142260 /nfs/dbraw/zinc/14/22/60/1163142260.db2.gz GAOMZWXIGPMSPE-VXGBXAGGSA-N 1 2 288.819 1.869 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccns1 ZINC001483344549 1160909560 /nfs/dbraw/zinc/90/95/60/1160909560.db2.gz UPBXDSVOOTXODG-VIFPVBQESA-N 1 2 273.789 1.946 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccns1 ZINC001483344549 1160909561 /nfs/dbraw/zinc/90/95/61/1160909561.db2.gz UPBXDSVOOTXODG-VIFPVBQESA-N 1 2 273.789 1.946 20 30 CDEDLO Cc1nc(N(C)[C@@H](C)CNC(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001113570603 1162224555 /nfs/dbraw/zinc/22/45/55/1162224555.db2.gz KUJDODFWBLZLOD-JTQLQIEISA-N 1 2 298.350 1.240 20 30 CDEDLO Cc1cc(C#N)cc(N2CC([NH+]3C[C@@H](C)O[C@H](C)C3)C2)n1 ZINC001158726665 1163493361 /nfs/dbraw/zinc/49/33/61/1163493361.db2.gz HQLWWURXGQSFKW-CHWSQXEVSA-N 1 2 286.379 1.560 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171533812 1164288352 /nfs/dbraw/zinc/28/83/52/1164288352.db2.gz PZHFLVRDCWSIRG-GHMZBOCLSA-N 1 2 295.308 1.759 20 30 CDEDLO C#CCCCC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096364281 1166957778 /nfs/dbraw/zinc/95/77/78/1166957778.db2.gz GQFPYEHUDWYNFS-CYBMUJFWSA-N 1 2 272.352 1.283 20 30 CDEDLO N#Cc1cn(Cc2[nH+]ccn2Cc2ccccc2)nn1 ZINC001641173908 1167084942 /nfs/dbraw/zinc/08/49/42/1167084942.db2.gz VUOQGCKDDZAHEP-UHFFFAOYSA-N 1 2 264.292 1.443 20 30 CDEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCCC1 ZINC001646672292 1168034382 /nfs/dbraw/zinc/03/43/82/1168034382.db2.gz ARAPRZGHTTVGEH-UHFFFAOYSA-N 1 2 288.399 1.508 20 30 CDEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(-c2nn[nH]n2)n1 ZINC001590419112 1173401597 /nfs/dbraw/zinc/40/15/97/1173401597.db2.gz CRIQHIJJFWWKNY-SECBINFHSA-N 1 2 257.301 1.044 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)nc1 ZINC000107579214 1174774338 /nfs/dbraw/zinc/77/43/38/1174774338.db2.gz UMYMLJPGSNAKIN-UHFFFAOYSA-N 1 2 281.319 1.627 20 30 CDEDLO C=CCOCC[NH+]1CC(NC(=O)[C@@H]2CC[C@@H](F)C2)C1 ZINC001753384949 1184523834 /nfs/dbraw/zinc/52/38/34/1184523834.db2.gz DNBQNKKKSCOCMP-VXGBXAGGSA-N 1 2 270.348 1.128 20 30 CDEDLO C=C(C)CCC(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001753378974 1185177159 /nfs/dbraw/zinc/17/71/59/1185177159.db2.gz BRARLRSITXREBJ-UHFFFAOYSA-N 1 2 262.357 1.077 20 30 CDEDLO C=CCC1(C(=O)NC2C[NH+](CCOCC)C2)CCC1 ZINC001753387626 1185180723 /nfs/dbraw/zinc/18/07/23/1185180723.db2.gz ZLFOCNSBNKCVGP-UHFFFAOYSA-N 1 2 266.385 1.570 20 30 CDEDLO C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001753449514 1185213896 /nfs/dbraw/zinc/21/38/96/1185213896.db2.gz GNNNOOGSUOEDBY-IRXDYDNUSA-N 1 2 299.418 1.455 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001753449514 1185213903 /nfs/dbraw/zinc/21/39/03/1185213903.db2.gz GNNNOOGSUOEDBY-IRXDYDNUSA-N 1 2 299.418 1.455 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2(C)CC=CC2)C1 ZINC001753652484 1185290043 /nfs/dbraw/zinc/29/00/43/1185290043.db2.gz JEMCLXLCFYOTMF-AWEZNQCLSA-N 1 2 278.396 1.736 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C2(C)CC=CC2)C1 ZINC001753652484 1185290058 /nfs/dbraw/zinc/29/00/58/1185290058.db2.gz JEMCLXLCFYOTMF-AWEZNQCLSA-N 1 2 278.396 1.736 20 30 CDEDLO C=C(C)CCC(=O)N(C)[C@H](C)C[NH2+]Cc1nc(C)no1 ZINC001753692684 1185304620 /nfs/dbraw/zinc/30/46/20/1185304620.db2.gz GRCWRJWQLWGSLU-LLVKDONJSA-N 1 2 280.372 1.671 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2CCOC[C@@H]2C)C1 ZINC001754581293 1185673980 /nfs/dbraw/zinc/67/39/80/1185673980.db2.gz XZUOMQMHXYHVBX-DZGCQCFKSA-N 1 2 296.411 1.004 20 30 CDEDLO C=CCC(C)(C)C(=O)N1CCOC2(C[NH+](CC)C2)C1 ZINC001755061941 1185803687 /nfs/dbraw/zinc/80/36/87/1185803687.db2.gz WJGLQCWRRFCIKX-UHFFFAOYSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC(C)(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nc(C)no1 ZINC001755237678 1185871087 /nfs/dbraw/zinc/87/10/87/1185871087.db2.gz RBEAXGNGYFGBLN-QWRGUYRKSA-N 1 2 294.399 1.963 20 30 CDEDLO C[C@@H](C#N)C(=O)NC[C@H](C)[N@H+](C)Cc1ccns1 ZINC001755293426 1185895309 /nfs/dbraw/zinc/89/53/09/1185895309.db2.gz SNZUFIXVXPITGG-UWVGGRQHSA-N 1 2 266.370 1.239 20 30 CDEDLO C[C@@H](C#N)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccns1 ZINC001755293426 1185895313 /nfs/dbraw/zinc/89/53/13/1185895313.db2.gz SNZUFIXVXPITGG-UWVGGRQHSA-N 1 2 266.370 1.239 20 30 CDEDLO C#CCC[NH+]1CC(CCO)(NC(=O)CC[C@@H](C)CC)C1 ZINC001755337922 1185922662 /nfs/dbraw/zinc/92/26/62/1185922662.db2.gz ZKEWOFVISOYLBS-AWEZNQCLSA-N 1 2 280.412 1.389 20 30 CDEDLO C#CCCCC(=O)N[C@H](C)C1C[NH+](Cc2ccns2)C1 ZINC001755373892 1185933053 /nfs/dbraw/zinc/93/30/53/1185933053.db2.gz MVYNDZQZKPYVHH-GFCCVEGCSA-N 1 2 291.420 1.883 20 30 CDEDLO C=CCCCC(=O)NC[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001756075463 1186129282 /nfs/dbraw/zinc/12/92/82/1186129282.db2.gz CMDUEJFNLWOHPW-LBPRGKRZSA-N 1 2 292.383 1.272 20 30 CDEDLO N#Cc1nc(N)n(Cc2[nH+]ccn2CC(F)(F)F)c1C#N ZINC001771598324 1186786074 /nfs/dbraw/zinc/78/60/74/1186786074.db2.gz IDWUNBZUPYEHKH-UHFFFAOYSA-N 1 2 295.228 1.016 20 30 CDEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccsc1 ZINC001032396827 711841287 /nfs/dbraw/zinc/84/12/87/711841287.db2.gz HBQIUXAEVYMJGO-GJZGRUSLSA-N 1 2 286.400 1.947 20 30 CDEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccsc1 ZINC001032396827 711841290 /nfs/dbraw/zinc/84/12/90/711841290.db2.gz HBQIUXAEVYMJGO-GJZGRUSLSA-N 1 2 286.400 1.947 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C)nc1C ZINC001018074704 711845655 /nfs/dbraw/zinc/84/56/55/711845655.db2.gz CYPMLVNXVLSVCW-OKILXGFUSA-N 1 2 284.363 1.015 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C)nc1C ZINC001018074704 711845657 /nfs/dbraw/zinc/84/56/57/711845657.db2.gz CYPMLVNXVLSVCW-OKILXGFUSA-N 1 2 284.363 1.015 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC001044168287 711853186 /nfs/dbraw/zinc/85/31/86/711853186.db2.gz HCZXKLYSZOURQX-UHFFFAOYSA-N 1 2 288.395 1.487 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccsc1COC ZINC001038404182 711853430 /nfs/dbraw/zinc/85/34/30/711853430.db2.gz RUZGXCILFZJEKP-LLVKDONJSA-N 1 2 278.377 1.332 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccsc1COC ZINC001038404182 711853432 /nfs/dbraw/zinc/85/34/32/711853432.db2.gz RUZGXCILFZJEKP-LLVKDONJSA-N 1 2 278.377 1.332 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ncsc1C1CC1 ZINC001038691898 711865925 /nfs/dbraw/zinc/86/59/25/711865925.db2.gz XOJVUARZJWCOJC-LBPRGKRZSA-N 1 2 289.404 1.848 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ncsc1C1CC1 ZINC001038691898 711865926 /nfs/dbraw/zinc/86/59/26/711865926.db2.gz XOJVUARZJWCOJC-LBPRGKRZSA-N 1 2 289.404 1.848 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cnoc2)C1 ZINC001015598311 711871139 /nfs/dbraw/zinc/87/11/39/711871139.db2.gz LIDDMZKIZFKGBN-NSHDSACASA-N 1 2 269.732 1.160 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cnoc2)C1 ZINC001015598311 711871142 /nfs/dbraw/zinc/87/11/42/711871142.db2.gz LIDDMZKIZFKGBN-NSHDSACASA-N 1 2 269.732 1.160 20 30 CDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)N[C@H](CCCC)C1=O ZINC000853619728 711885906 /nfs/dbraw/zinc/88/59/06/711885906.db2.gz JIVMLIJYIIAQOZ-CYBMUJFWSA-N 1 2 295.383 1.026 20 30 CDEDLO C#CCC[N@H+](CCOC)CN1C(=O)N[C@H](CCCC)C1=O ZINC000853619728 711885907 /nfs/dbraw/zinc/88/59/07/711885907.db2.gz JIVMLIJYIIAQOZ-CYBMUJFWSA-N 1 2 295.383 1.026 20 30 CDEDLO C[C@@H]1NC(=O)[C@H](C)[N@H+](CCOc2ccc(C#N)cc2)[C@H]1C ZINC000930833600 711889406 /nfs/dbraw/zinc/88/94/06/711889406.db2.gz PKEUCAJGJTZXAS-AVGNSLFASA-N 1 2 287.363 1.534 20 30 CDEDLO C[C@@H]1NC(=O)[C@H](C)[N@@H+](CCOc2ccc(C#N)cc2)[C@H]1C ZINC000930833600 711889407 /nfs/dbraw/zinc/88/94/07/711889407.db2.gz PKEUCAJGJTZXAS-AVGNSLFASA-N 1 2 287.363 1.534 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccnc2)C1 ZINC001035264698 711895522 /nfs/dbraw/zinc/89/55/22/711895522.db2.gz LQKVEAWDOKYHLL-AWEZNQCLSA-N 1 2 275.352 1.088 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccnc2)C1 ZINC001035264698 711895523 /nfs/dbraw/zinc/89/55/23/711895523.db2.gz LQKVEAWDOKYHLL-AWEZNQCLSA-N 1 2 275.352 1.088 20 30 CDEDLO C=CCCn1cc(C[NH2+]C[C@@H](OC)C(F)(F)F)nn1 ZINC000850135065 711907574 /nfs/dbraw/zinc/90/75/74/711907574.db2.gz IQTIHKHCDXWBMI-SNVBAGLBSA-N 1 2 278.278 1.521 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3c(c2)CCO3)C1 ZINC001030997692 711908240 /nfs/dbraw/zinc/90/82/40/711908240.db2.gz QWSFWUCWXJEQRM-UHFFFAOYSA-N 1 2 270.332 1.059 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001043123145 711914109 /nfs/dbraw/zinc/91/41/09/711914109.db2.gz BUJZIDMIWBKLCS-CYBMUJFWSA-N 1 2 288.395 1.164 20 30 CDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCOC2)CC1 ZINC001004354357 711921010 /nfs/dbraw/zinc/92/10/10/711921010.db2.gz BTYRBZNMHPJAER-GJZGRUSLSA-N 1 2 291.395 1.249 20 30 CDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCOC2)CC1 ZINC001004354357 711921013 /nfs/dbraw/zinc/92/10/13/711921013.db2.gz BTYRBZNMHPJAER-GJZGRUSLSA-N 1 2 291.395 1.249 20 30 CDEDLO C#CCC[C@@H](O)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000799074545 711922994 /nfs/dbraw/zinc/92/29/94/711922994.db2.gz LFEUASOARRRGJP-OAHLLOKOSA-N 1 2 283.331 1.376 20 30 CDEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1CC(C)C1)O2 ZINC001053587772 711932707 /nfs/dbraw/zinc/93/27/07/711932707.db2.gz KVMOADBTVKMZIW-RUXDESIVSA-N 1 2 278.396 1.568 20 30 CDEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)c(C)s2)C1 ZINC001035603447 711959349 /nfs/dbraw/zinc/95/93/49/711959349.db2.gz UPJVQAULJXLVSZ-ZDUSSCGKSA-N 1 2 294.420 1.982 20 30 CDEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)c(C)s2)C1 ZINC001035603447 711959350 /nfs/dbraw/zinc/95/93/50/711959350.db2.gz UPJVQAULJXLVSZ-ZDUSSCGKSA-N 1 2 294.420 1.982 20 30 CDEDLO C#CC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000830329932 711963544 /nfs/dbraw/zinc/96/35/44/711963544.db2.gz MTGNHVLZESZKNY-UHFFFAOYSA-N 1 2 287.319 1.879 20 30 CDEDLO C#Cc1cccc(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000836411995 711983585 /nfs/dbraw/zinc/98/35/85/711983585.db2.gz ZGJPPXNFCBJHMF-OAHLLOKOSA-N 1 2 294.358 1.679 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ocnc1C)CO2 ZINC001053765427 711985011 /nfs/dbraw/zinc/98/50/11/711985011.db2.gz NVTWJEDFXIKNIC-GFCCVEGCSA-N 1 2 291.351 1.132 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2nccnc2c1 ZINC001039006529 712040786 /nfs/dbraw/zinc/04/07/86/712040786.db2.gz SDHDABCIIIBXTJ-AWEZNQCLSA-N 1 2 294.358 1.457 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2nccnc2c1 ZINC001039006529 712040788 /nfs/dbraw/zinc/04/07/88/712040788.db2.gz SDHDABCIIIBXTJ-AWEZNQCLSA-N 1 2 294.358 1.457 20 30 CDEDLO Cc1cc(C)c(C(=O)N(C)[C@@H]2CCN(CC#N)C2)c(C)[nH+]1 ZINC001033284915 712048663 /nfs/dbraw/zinc/04/86/63/712048663.db2.gz RGZSAXPAZHRPNQ-CQSZACIVSA-N 1 2 286.379 1.677 20 30 CDEDLO CO[C@H](C)c1noc(CO[NH+]=C(N)Cc2cccnc2)n1 ZINC000092914149 712048720 /nfs/dbraw/zinc/04/87/20/712048720.db2.gz DLPULBYYRRYSFT-SECBINFHSA-N 1 2 291.311 1.204 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cccnc1C ZINC001051089023 712049678 /nfs/dbraw/zinc/04/96/78/712049678.db2.gz HYOSBWLVMKNUFU-CQSZACIVSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccnc1C ZINC001051089023 712049679 /nfs/dbraw/zinc/04/96/79/712049679.db2.gz HYOSBWLVMKNUFU-CQSZACIVSA-N 1 2 289.379 1.397 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc[nH]c2C2CC2)C1 ZINC001035490017 712061787 /nfs/dbraw/zinc/06/17/87/712061787.db2.gz NHLSPLMAAGDAFU-CYBMUJFWSA-N 1 2 289.379 1.509 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc[nH]c2C2CC2)C1 ZINC001035490017 712061788 /nfs/dbraw/zinc/06/17/88/712061788.db2.gz NHLSPLMAAGDAFU-CYBMUJFWSA-N 1 2 289.379 1.509 20 30 CDEDLO Cc1ccc(NC(=O)NCC2(C#N)CC2)c(N(C)C)[nH+]1 ZINC000797637538 712065477 /nfs/dbraw/zinc/06/54/77/712065477.db2.gz YDTQTCPROUAABV-UHFFFAOYSA-N 1 2 273.340 1.881 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(OCC)c1 ZINC001032617953 712065807 /nfs/dbraw/zinc/06/58/07/712065807.db2.gz BXYBGAHWSWVOAG-KBPBESRZSA-N 1 2 285.347 1.012 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(OCC)c1 ZINC001032617953 712065808 /nfs/dbraw/zinc/06/58/08/712065808.db2.gz BXYBGAHWSWVOAG-KBPBESRZSA-N 1 2 285.347 1.012 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]cc1C ZINC001051247228 712069317 /nfs/dbraw/zinc/06/93/17/712069317.db2.gz ZBYKWRXAGYMNRK-ZDUSSCGKSA-N 1 2 277.368 1.330 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]cc1C ZINC001051247228 712069320 /nfs/dbraw/zinc/06/93/20/712069320.db2.gz ZBYKWRXAGYMNRK-ZDUSSCGKSA-N 1 2 277.368 1.330 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cncnc2)[C@H]1C ZINC000993268080 712118459 /nfs/dbraw/zinc/11/84/59/712118459.db2.gz RMXNDRHTDLQWSB-DGCLKSJQSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cncnc2)[C@H]1C ZINC000993268080 712118462 /nfs/dbraw/zinc/11/84/62/712118462.db2.gz RMXNDRHTDLQWSB-DGCLKSJQSA-N 1 2 294.786 1.812 20 30 CDEDLO C[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031521590 712123037 /nfs/dbraw/zinc/12/30/37/712123037.db2.gz GXQFSNHGBDYZAC-WBMJQRKESA-N 1 2 283.375 1.762 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC=CCC1)CO2 ZINC001053735443 712123819 /nfs/dbraw/zinc/12/38/19/712123819.db2.gz GEFVSILFSBBIAV-CABCVRRESA-N 1 2 290.407 1.878 20 30 CDEDLO C#CC[C@@H](NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)OC ZINC000839168195 712134582 /nfs/dbraw/zinc/13/45/82/712134582.db2.gz ZVZFPKSEHUTIMN-OAHLLOKOSA-N 1 2 283.331 1.527 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCOC[C@H]1C ZINC001017912338 712144319 /nfs/dbraw/zinc/14/43/19/712144319.db2.gz DPGNYTHHLXQDPZ-WCVJEAGWSA-N 1 2 290.407 1.358 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCOC[C@H]1C ZINC001017912338 712144320 /nfs/dbraw/zinc/14/43/20/712144320.db2.gz DPGNYTHHLXQDPZ-WCVJEAGWSA-N 1 2 290.407 1.358 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc2ccccn2c1F ZINC001032717235 712150980 /nfs/dbraw/zinc/15/09/80/712150980.db2.gz XTZHHWUSBGCFBA-RYUDHWBXSA-N 1 2 298.321 1.005 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc2ccccn2c1F ZINC001032717235 712150983 /nfs/dbraw/zinc/15/09/83/712150983.db2.gz XTZHHWUSBGCFBA-RYUDHWBXSA-N 1 2 298.321 1.005 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ncccc1OCC ZINC001039089331 712159960 /nfs/dbraw/zinc/15/99/60/712159960.db2.gz NDPUWNMUPMIYIL-CYBMUJFWSA-N 1 2 287.363 1.308 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ncccc1OCC ZINC001039089331 712159961 /nfs/dbraw/zinc/15/99/61/712159961.db2.gz NDPUWNMUPMIYIL-CYBMUJFWSA-N 1 2 287.363 1.308 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(C2CC2)n1 ZINC001032660455 712198292 /nfs/dbraw/zinc/19/82/92/712198292.db2.gz IYZIOTJFGDVILC-KBPBESRZSA-N 1 2 296.374 1.276 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(C2CC2)n1 ZINC001032660455 712198294 /nfs/dbraw/zinc/19/82/94/712198294.db2.gz IYZIOTJFGDVILC-KBPBESRZSA-N 1 2 296.374 1.276 20 30 CDEDLO CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001038000950 712213403 /nfs/dbraw/zinc/21/34/03/712213403.db2.gz FFOGNGMECCHXAQ-CYBMUJFWSA-N 1 2 261.300 1.408 20 30 CDEDLO CC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001038000950 712213405 /nfs/dbraw/zinc/21/34/05/712213405.db2.gz FFOGNGMECCHXAQ-CYBMUJFWSA-N 1 2 261.300 1.408 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(CC)c1C ZINC001038844825 712214230 /nfs/dbraw/zinc/21/42/30/712214230.db2.gz GULMNPQKGMXRFG-ZDUSSCGKSA-N 1 2 274.368 1.039 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(CC)c1C ZINC001038844825 712214232 /nfs/dbraw/zinc/21/42/32/712214232.db2.gz GULMNPQKGMXRFG-ZDUSSCGKSA-N 1 2 274.368 1.039 20 30 CDEDLO CCNC(=O)NC(=O)[C@@H](C)[N@H+](CCC#N)CC(C)C ZINC000049800795 712228571 /nfs/dbraw/zinc/22/85/71/712228571.db2.gz LQAJGHWTEAVIFW-LLVKDONJSA-N 1 2 268.361 1.092 20 30 CDEDLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CCC#N)CC(C)C ZINC000049800795 712228572 /nfs/dbraw/zinc/22/85/72/712228572.db2.gz LQAJGHWTEAVIFW-LLVKDONJSA-N 1 2 268.361 1.092 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1csnn1 ZINC001028054366 712232613 /nfs/dbraw/zinc/23/26/13/712232613.db2.gz WOLOIANUEGYMNW-SECBINFHSA-N 1 2 286.788 1.485 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1csnn1 ZINC001028054366 712232618 /nfs/dbraw/zinc/23/26/18/712232618.db2.gz WOLOIANUEGYMNW-SECBINFHSA-N 1 2 286.788 1.485 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)C1CCC(C(F)F)CC1 ZINC001038969501 712245487 /nfs/dbraw/zinc/24/54/87/712245487.db2.gz MQFKMKPMWGMPQE-BPCQOVAHSA-N 1 2 284.350 1.882 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)C1CCC(C(F)F)CC1 ZINC001038969501 712245491 /nfs/dbraw/zinc/24/54/91/712245491.db2.gz MQFKMKPMWGMPQE-BPCQOVAHSA-N 1 2 284.350 1.882 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001042590051 712257009 /nfs/dbraw/zinc/25/70/09/712257009.db2.gz RZRMRUDARRHMDC-UHFFFAOYSA-N 1 2 258.325 1.219 20 30 CDEDLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000712278552 712259004 /nfs/dbraw/zinc/25/90/04/712259004.db2.gz ZGIYMPSCGJVUAG-JTQLQIEISA-N 1 2 299.783 1.194 20 30 CDEDLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000712278552 712259007 /nfs/dbraw/zinc/25/90/07/712259007.db2.gz ZGIYMPSCGJVUAG-JTQLQIEISA-N 1 2 299.783 1.194 20 30 CDEDLO C#C[C@@H](CC)NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000821567167 712259413 /nfs/dbraw/zinc/25/94/13/712259413.db2.gz HGCOCATURIRCSG-ZDUSSCGKSA-N 1 2 287.367 1.028 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC23CCCC3)C1 ZINC001035563784 712287097 /nfs/dbraw/zinc/28/70/97/712287097.db2.gz LBJUZRDRVODMHX-HUUCEWRRSA-N 1 2 292.423 1.960 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC23CCCC3)C1 ZINC001035563784 712287098 /nfs/dbraw/zinc/28/70/98/712287098.db2.gz LBJUZRDRVODMHX-HUUCEWRRSA-N 1 2 292.423 1.960 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCO2)C1 ZINC001032893113 712300710 /nfs/dbraw/zinc/30/07/10/712300710.db2.gz NDGLFASDMCZDFQ-RYUDHWBXSA-N 1 2 272.776 1.451 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCO2)C1 ZINC001032893113 712300714 /nfs/dbraw/zinc/30/07/14/712300714.db2.gz NDGLFASDMCZDFQ-RYUDHWBXSA-N 1 2 272.776 1.451 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2c[nH]c(Br)c2)C1 ZINC001030692610 712309861 /nfs/dbraw/zinc/30/98/61/712309861.db2.gz ZIBSDMAMTXJTOM-UHFFFAOYSA-N 1 2 296.168 1.215 20 30 CDEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)c2[nH]nc3c2CCC3)[C@@H]1C ZINC000993558603 712350043 /nfs/dbraw/zinc/35/00/43/712350043.db2.gz XUGNEBNSDGPQDN-WCQYABFASA-N 1 2 288.395 1.667 20 30 CDEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2[nH]nc3c2CCC3)[C@@H]1C ZINC000993558603 712350045 /nfs/dbraw/zinc/35/00/45/712350045.db2.gz XUGNEBNSDGPQDN-WCQYABFASA-N 1 2 288.395 1.667 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(CO)c(C)cc1C ZINC000787578256 712356806 /nfs/dbraw/zinc/35/68/06/712356806.db2.gz ATNZAKQRILEJMQ-INIZCTEOSA-N 1 2 286.375 1.832 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(CO)c(C)cc1C ZINC000787578256 712356813 /nfs/dbraw/zinc/35/68/13/712356813.db2.gz ATNZAKQRILEJMQ-INIZCTEOSA-N 1 2 286.375 1.832 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2ccncc2Cl)C1 ZINC001043876492 712365478 /nfs/dbraw/zinc/36/54/78/712365478.db2.gz ACSLKOGNVKTDTC-UHFFFAOYSA-N 1 2 293.798 1.996 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cn3c(n2)CCC3)C1 ZINC001042744290 712378015 /nfs/dbraw/zinc/37/80/15/712378015.db2.gz UENOVZXAPPTLRV-UHFFFAOYSA-N 1 2 274.368 1.162 20 30 CDEDLO C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001032551119 712380234 /nfs/dbraw/zinc/38/02/34/712380234.db2.gz MOBWEPKZXOTKBE-STQMWFEESA-N 1 2 294.786 1.311 20 30 CDEDLO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1cnc(C)s1 ZINC001024358081 712384105 /nfs/dbraw/zinc/38/41/05/712384105.db2.gz AIEFPMFAMHJQGE-LBPRGKRZSA-N 1 2 277.393 1.669 20 30 CDEDLO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cnc(C)s1 ZINC001024358081 712384107 /nfs/dbraw/zinc/38/41/07/712384107.db2.gz AIEFPMFAMHJQGE-LBPRGKRZSA-N 1 2 277.393 1.669 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2csc(C)c2)C1 ZINC001035546488 712389461 /nfs/dbraw/zinc/38/94/61/712389461.db2.gz USMQIQOBRYYIIM-AWEZNQCLSA-N 1 2 292.404 1.510 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2csc(C)c2)C1 ZINC001035546488 712389463 /nfs/dbraw/zinc/38/94/63/712389463.db2.gz USMQIQOBRYYIIM-AWEZNQCLSA-N 1 2 292.404 1.510 20 30 CDEDLO CC#CCN1CC(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001031193010 712410149 /nfs/dbraw/zinc/41/01/49/712410149.db2.gz HGVDFEWBMSWMRM-UHFFFAOYSA-N 1 2 294.358 1.310 20 30 CDEDLO Cc1cc(C[N@H+]2CCCN(C(=O)[C@H](C)C#N)CC2)sn1 ZINC000980850810 712414870 /nfs/dbraw/zinc/41/48/70/712414870.db2.gz XETPDGUZRRKBPF-LLVKDONJSA-N 1 2 292.408 1.646 20 30 CDEDLO Cc1cc(C[N@@H+]2CCCN(C(=O)[C@H](C)C#N)CC2)sn1 ZINC000980850810 712414872 /nfs/dbraw/zinc/41/48/72/712414872.db2.gz XETPDGUZRRKBPF-LLVKDONJSA-N 1 2 292.408 1.646 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC001039018627 712421256 /nfs/dbraw/zinc/42/12/56/712421256.db2.gz FCKGCJRXRAJGJG-CYBMUJFWSA-N 1 2 298.346 1.497 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC001039018627 712421257 /nfs/dbraw/zinc/42/12/57/712421257.db2.gz FCKGCJRXRAJGJG-CYBMUJFWSA-N 1 2 298.346 1.497 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccn3ccccc23)C1 ZINC001030660346 712424225 /nfs/dbraw/zinc/42/42/25/712424225.db2.gz HVXVKHQKEYEYAC-UHFFFAOYSA-N 1 2 267.332 1.377 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC001039002294 712435464 /nfs/dbraw/zinc/43/54/64/712435464.db2.gz YDIKPXHTZVDZKY-ZDUSSCGKSA-N 1 2 264.275 1.402 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC001039002294 712435467 /nfs/dbraw/zinc/43/54/67/712435467.db2.gz YDIKPXHTZVDZKY-ZDUSSCGKSA-N 1 2 264.275 1.402 20 30 CDEDLO N#CCc1ccccc1CC(=O)NCCNc1cccc[nH+]1 ZINC000777522883 712439934 /nfs/dbraw/zinc/43/99/34/712439934.db2.gz ZRVUTALZFNHPBR-UHFFFAOYSA-N 1 2 294.358 1.918 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2scnc21 ZINC001032400622 712444745 /nfs/dbraw/zinc/44/47/45/712444745.db2.gz PIZRHAPMSIREDB-RYUDHWBXSA-N 1 2 297.383 1.828 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2scnc21 ZINC001032400622 712444746 /nfs/dbraw/zinc/44/47/46/712444746.db2.gz PIZRHAPMSIREDB-RYUDHWBXSA-N 1 2 297.383 1.828 20 30 CDEDLO C=CCOCCCC(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000181599161 712454337 /nfs/dbraw/zinc/45/43/37/712454337.db2.gz ZKCZFAGNNZHBPL-CYBMUJFWSA-N 1 2 271.357 1.233 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(OC)c1OC ZINC001038954138 712457853 /nfs/dbraw/zinc/45/78/53/712457853.db2.gz RMTIJOAJURNYJI-LBPRGKRZSA-N 1 2 288.347 1.141 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(OC)c1OC ZINC001038954138 712457854 /nfs/dbraw/zinc/45/78/54/712457854.db2.gz RMTIJOAJURNYJI-LBPRGKRZSA-N 1 2 288.347 1.141 20 30 CDEDLO CCN(CC)C(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000177557772 712479237 /nfs/dbraw/zinc/47/92/37/712479237.db2.gz XXXCEPLVGLPQCW-UHFFFAOYSA-N 1 2 263.341 1.386 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001046633992 712501817 /nfs/dbraw/zinc/50/18/17/712501817.db2.gz BRBVAHFFMBLFRX-YRGRVCCFSA-N 1 2 286.803 1.887 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001046633992 712501820 /nfs/dbraw/zinc/50/18/20/712501820.db2.gz BRBVAHFFMBLFRX-YRGRVCCFSA-N 1 2 286.803 1.887 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001031268216 712511534 /nfs/dbraw/zinc/51/15/34/712511534.db2.gz IISRATJCRPUTJQ-UHFFFAOYSA-N 1 2 273.380 1.651 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2CCCCO2)C1 ZINC001042602925 712516122 /nfs/dbraw/zinc/51/61/22/712516122.db2.gz IVKLKUJGBMGTHE-CYBMUJFWSA-N 1 2 252.358 1.274 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(F)cc1F ZINC001038977715 712519873 /nfs/dbraw/zinc/51/98/73/712519873.db2.gz AAUISWWQDSDYQS-LLVKDONJSA-N 1 2 264.275 1.402 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(F)cc1F ZINC001038977715 712519875 /nfs/dbraw/zinc/51/98/75/712519875.db2.gz AAUISWWQDSDYQS-LLVKDONJSA-N 1 2 264.275 1.402 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnc[nH]c2=O)C1 ZINC001033175576 712674921 /nfs/dbraw/zinc/67/49/21/712674921.db2.gz WIGMCNFZYMGMOL-SNVBAGLBSA-N 1 2 296.758 1.081 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc[nH]c2=O)C1 ZINC001033175576 712674922 /nfs/dbraw/zinc/67/49/22/712674922.db2.gz WIGMCNFZYMGMOL-SNVBAGLBSA-N 1 2 296.758 1.081 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccccc2COC)C1 ZINC001030604401 712685726 /nfs/dbraw/zinc/68/57/26/712685726.db2.gz YHRXIDDWAIARTQ-UHFFFAOYSA-N 1 2 274.364 1.823 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@H+]2C/C=C/Cl)c1 ZINC001038147215 712692106 /nfs/dbraw/zinc/69/21/06/712692106.db2.gz VJDQGUDEPDJRPV-JHSHHRBUSA-N 1 2 278.743 1.443 20 30 CDEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@@H+]2C/C=C/Cl)c1 ZINC001038147215 712692107 /nfs/dbraw/zinc/69/21/07/712692107.db2.gz VJDQGUDEPDJRPV-JHSHHRBUSA-N 1 2 278.743 1.443 20 30 CDEDLO C#CC[C@@H](CO)[NH2+]Cc1csc(N(C(C)=O)C2CC2)n1 ZINC000883123802 712695682 /nfs/dbraw/zinc/69/56/82/712695682.db2.gz LPUREKJRAHVNKL-NSHDSACASA-N 1 2 293.392 1.132 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cncc(OC)c2C)C1 ZINC001043083220 712695809 /nfs/dbraw/zinc/69/58/09/712695809.db2.gz BFWPRPOBIJEKTG-UHFFFAOYSA-N 1 2 289.379 1.731 20 30 CDEDLO C=CCCC(=O)NCC1(NC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001062687759 712696697 /nfs/dbraw/zinc/69/66/97/712696697.db2.gz NNSDQVHVIGGLBM-UHFFFAOYSA-N 1 2 290.367 1.074 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H]2COC3(C[NH+](CC)C3)C2)CC1 ZINC001053914940 712700733 /nfs/dbraw/zinc/70/07/33/712700733.db2.gz YYUDZZZHPRVODG-AWEZNQCLSA-N 1 2 278.396 1.712 20 30 CDEDLO C#CC[C@H]([NH2+]CC1CCC2(CC1)OCCO2)C(=O)OC ZINC000839170164 712701575 /nfs/dbraw/zinc/70/15/75/712701575.db2.gz XCUKSKBYMCMBTN-ZDUSSCGKSA-N 1 2 281.352 1.074 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2sc(Cl)nc2C)C1 ZINC001014569420 712717134 /nfs/dbraw/zinc/71/71/34/712717134.db2.gz BCOHPNIOHVMPCD-SECBINFHSA-N 1 2 283.784 1.542 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2sc(Cl)nc2C)C1 ZINC001014569420 712717135 /nfs/dbraw/zinc/71/71/35/712717135.db2.gz BCOHPNIOHVMPCD-SECBINFHSA-N 1 2 283.784 1.542 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)Cc2c(C)cccc2C)C1 ZINC001030381317 712718007 /nfs/dbraw/zinc/71/80/07/712718007.db2.gz NMYJVUYUVBQZJE-UHFFFAOYSA-N 1 2 270.376 1.670 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)noc1C1CC1 ZINC001032526535 712718426 /nfs/dbraw/zinc/71/84/26/712718426.db2.gz SPQAFKJDFXASDE-KBPBESRZSA-N 1 2 299.374 1.782 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)noc1C1CC1 ZINC001032526535 712718431 /nfs/dbraw/zinc/71/84/31/712718431.db2.gz SPQAFKJDFXASDE-KBPBESRZSA-N 1 2 299.374 1.782 20 30 CDEDLO Cc1nnsc1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC000971209934 712719496 /nfs/dbraw/zinc/71/94/96/712719496.db2.gz VNXBBYDAWJYFIT-MWLCHTKSSA-N 1 2 293.396 1.039 20 30 CDEDLO Cc1nnsc1C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC000971209934 712719499 /nfs/dbraw/zinc/71/94/99/712719499.db2.gz VNXBBYDAWJYFIT-MWLCHTKSSA-N 1 2 293.396 1.039 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1conc1C1CC1 ZINC001032622445 712731517 /nfs/dbraw/zinc/73/15/17/712731517.db2.gz ZUKHPMKKAONTSD-RYUDHWBXSA-N 1 2 273.336 1.637 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1conc1C1CC1 ZINC001032622445 712731519 /nfs/dbraw/zinc/73/15/19/712731519.db2.gz ZUKHPMKKAONTSD-RYUDHWBXSA-N 1 2 273.336 1.637 20 30 CDEDLO C=C1CCC(C(=O)N(C)[C@H]2C[N@H+](CCF)C[C@@H]2O)CC1 ZINC001047511990 712733078 /nfs/dbraw/zinc/73/30/78/712733078.db2.gz BQKHVOHCBRHZHI-KBPBESRZSA-N 1 2 284.375 1.206 20 30 CDEDLO C=C1CCC(C(=O)N(C)[C@H]2C[N@@H+](CCF)C[C@@H]2O)CC1 ZINC001047511990 712733080 /nfs/dbraw/zinc/73/30/80/712733080.db2.gz BQKHVOHCBRHZHI-KBPBESRZSA-N 1 2 284.375 1.206 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCCOC1 ZINC001018123515 712734687 /nfs/dbraw/zinc/73/46/87/712734687.db2.gz YORIUJWOCNCBNE-HRCADAONSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCCOC1 ZINC001018123515 712734689 /nfs/dbraw/zinc/73/46/89/712734689.db2.gz YORIUJWOCNCBNE-HRCADAONSA-N 1 2 290.407 1.502 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)c2ncccc2OCC=C)CC1 ZINC000775155418 712738618 /nfs/dbraw/zinc/73/86/18/712738618.db2.gz LPLHRTUHBMGASF-UHFFFAOYSA-N 1 2 299.374 1.428 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CF)CC1 ZINC001017929140 712746413 /nfs/dbraw/zinc/74/64/13/712746413.db2.gz IVAZZWKEJNKAMF-BETUJISGSA-N 1 2 264.344 1.435 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CF)CC1 ZINC001017929140 712746419 /nfs/dbraw/zinc/74/64/19/712746419.db2.gz IVAZZWKEJNKAMF-BETUJISGSA-N 1 2 264.344 1.435 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccn(C)n2)C1 ZINC001027335061 712776956 /nfs/dbraw/zinc/77/69/56/712776956.db2.gz BEQMNFXHTDZAKC-GXTWGEPZSA-N 1 2 289.383 1.003 20 30 CDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC001027335061 712776958 /nfs/dbraw/zinc/77/69/58/712776958.db2.gz BEQMNFXHTDZAKC-GXTWGEPZSA-N 1 2 289.383 1.003 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cn(C)cn2)[C@H]1C ZINC000993201377 712795703 /nfs/dbraw/zinc/79/57/03/712795703.db2.gz RGOYXYBKZFYTSU-VXGBXAGGSA-N 1 2 296.802 1.755 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)cn2)[C@H]1C ZINC000993201377 712795705 /nfs/dbraw/zinc/79/57/05/712795705.db2.gz RGOYXYBKZFYTSU-VXGBXAGGSA-N 1 2 296.802 1.755 20 30 CDEDLO C=CC[NH+]1CCN(c2nc(Cl)nc(C)c2C#N)CC1 ZINC001165031782 721867362 /nfs/dbraw/zinc/86/73/62/721867362.db2.gz VNLVJVKNCPQRBU-UHFFFAOYSA-N 1 2 277.759 1.618 20 30 CDEDLO C[C@@H]1CC[N@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794625834 1164527181 /nfs/dbraw/zinc/52/71/81/1164527181.db2.gz BTTXMFCWQONVKU-SECBINFHSA-N 1 2 251.359 1.316 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794625834 1164527187 /nfs/dbraw/zinc/52/71/87/1164527187.db2.gz BTTXMFCWQONVKU-SECBINFHSA-N 1 2 251.359 1.316 20 30 CDEDLO C[N@@H+]1CCO[C@@H](CNc2ccc(C3(C#N)CCC3)cn2)C1 ZINC001155197341 1167106047 /nfs/dbraw/zinc/10/60/47/1167106047.db2.gz SPPJVJZCRURQJE-AWEZNQCLSA-N 1 2 286.379 1.769 20 30 CDEDLO C[N@H+]1CCO[C@@H](CNc2ccc(C3(C#N)CCC3)cn2)C1 ZINC001155197341 1167106057 /nfs/dbraw/zinc/10/60/57/1167106057.db2.gz SPPJVJZCRURQJE-AWEZNQCLSA-N 1 2 286.379 1.769 20 30 CDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3F)CC2)cc1 ZINC001646931881 1168264514 /nfs/dbraw/zinc/26/45/14/1168264514.db2.gz SSNKWIRSSKUFAT-HUUCEWRRSA-N 1 2 287.338 1.560 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2COc3ccccc3C2)C1 ZINC001030640507 912291952 /nfs/dbraw/zinc/29/19/52/912291952.db2.gz DVEUQDFOIPRVKI-AWEZNQCLSA-N 1 2 284.359 1.061 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC001030645556 912316632 /nfs/dbraw/zinc/31/66/32/912316632.db2.gz POAIXCRLBATHNN-UHFFFAOYSA-N 1 2 297.358 1.009 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2O)CC[C@H]1O ZINC001232673777 912376420 /nfs/dbraw/zinc/37/64/20/912376420.db2.gz NAXXQWAJSYSOGY-BXUZGUMPSA-N 1 2 260.337 1.857 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)CC[C@H]1O ZINC001232673777 912376439 /nfs/dbraw/zinc/37/64/39/912376439.db2.gz NAXXQWAJSYSOGY-BXUZGUMPSA-N 1 2 260.337 1.857 20 30 CDEDLO COCC[NH+](CCOC)Cc1cc(C#N)ccc1O ZINC001232673166 912380262 /nfs/dbraw/zinc/38/02/62/912380262.db2.gz BEBMWGQIMHSBGS-UHFFFAOYSA-N 1 2 264.325 1.359 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]cnc2CC)[C@H]1C ZINC001089011849 912475859 /nfs/dbraw/zinc/47/58/59/912475859.db2.gz YESBBNAIXZNXSQ-PWSUYJOCSA-N 1 2 296.802 1.917 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]cnc2CC)[C@H]1C ZINC001089011849 912475867 /nfs/dbraw/zinc/47/58/67/912475867.db2.gz YESBBNAIXZNXSQ-PWSUYJOCSA-N 1 2 296.802 1.917 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)C[C@H]2CCOc3ccccc32)C1 ZINC001030789455 912748118 /nfs/dbraw/zinc/74/81/18/912748118.db2.gz IRIOYWNRNMBUQO-CQSZACIVSA-N 1 2 298.386 1.767 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2ccc(Cl)c(C#N)c2)C1 ZINC001233922985 913135652 /nfs/dbraw/zinc/13/56/52/913135652.db2.gz IACYOKPTONBBQY-GFCCVEGCSA-N 1 2 266.728 1.921 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2ccc(Cl)c(C#N)c2)C1 ZINC001233922985 913135661 /nfs/dbraw/zinc/13/56/61/913135661.db2.gz IACYOKPTONBBQY-GFCCVEGCSA-N 1 2 266.728 1.921 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC23CC(OCC)C3)C1 ZINC001030952964 913270607 /nfs/dbraw/zinc/27/06/07/913270607.db2.gz BJVHGVHITIDLDC-NPCAHTBFSA-N 1 2 278.396 1.568 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2c(F)cc(OC)cc2F)C1 ZINC001030990555 913340068 /nfs/dbraw/zinc/34/00/68/913340068.db2.gz MEYOXNYQMHEXCM-UHFFFAOYSA-N 1 2 296.317 1.964 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001031020082 913412422 /nfs/dbraw/zinc/41/24/22/913412422.db2.gz OZXJIEVWMULLRW-AWEZNQCLSA-N 1 2 260.312 1.521 20 30 CDEDLO C#CCC[NH2+]C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001106154153 913441688 /nfs/dbraw/zinc/44/16/88/913441688.db2.gz AOEOVOZRPSMMAN-MXWKQRLJSA-N 1 2 294.292 1.594 20 30 CDEDLO C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C ZINC001106154153 913441704 /nfs/dbraw/zinc/44/17/04/913441704.db2.gz AOEOVOZRPSMMAN-MXWKQRLJSA-N 1 2 294.292 1.594 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2C[C@]2(CC)C(C)C)C1 ZINC001031180118 913884738 /nfs/dbraw/zinc/88/47/38/913884738.db2.gz KABXHHHXHKSSNM-GDBMZVCRSA-N 1 2 262.397 1.882 20 30 CDEDLO CCOc1cccc(/C=N\[C@@H](C)C[NH+]2CCOCC2)c1O ZINC000255397724 896286093 /nfs/dbraw/zinc/28/60/93/896286093.db2.gz QLVQDNYEQVMUDO-MFVBVHDHSA-N 1 2 292.379 1.931 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(F)c1C ZINC001038276938 897567603 /nfs/dbraw/zinc/56/76/03/897567603.db2.gz YSXIQHUXSRDRLG-GFCCVEGCSA-N 1 2 260.312 1.571 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(F)c1C ZINC001038276938 897567608 /nfs/dbraw/zinc/56/76/08/897567608.db2.gz YSXIQHUXSRDRLG-GFCCVEGCSA-N 1 2 260.312 1.571 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cnnn1C ZINC001024419337 898055680 /nfs/dbraw/zinc/05/56/80/898055680.db2.gz XSPUODZMQBPNTA-LLVKDONJSA-N 1 2 297.790 1.152 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnnn1C ZINC001024419337 898055692 /nfs/dbraw/zinc/05/56/92/898055692.db2.gz XSPUODZMQBPNTA-LLVKDONJSA-N 1 2 297.790 1.152 20 30 CDEDLO C=CCCC(=O)NCCC[N@@H+](C)[C@@H](C)c1nncn1C ZINC001235451034 914222478 /nfs/dbraw/zinc/22/24/78/914222478.db2.gz AKLAOEOIUMEKRY-LBPRGKRZSA-N 1 2 279.388 1.280 20 30 CDEDLO C=CCCC(=O)NCCC[N@H+](C)[C@@H](C)c1nncn1C ZINC001235451034 914222493 /nfs/dbraw/zinc/22/24/93/914222493.db2.gz AKLAOEOIUMEKRY-LBPRGKRZSA-N 1 2 279.388 1.280 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC12CCCC2 ZINC001018139784 898659385 /nfs/dbraw/zinc/65/93/85/898659385.db2.gz SKBLDSBJHSKBDL-QLFBSQMISA-N 1 2 272.392 1.875 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC12CCCC2 ZINC001018139784 898659389 /nfs/dbraw/zinc/65/93/89/898659389.db2.gz SKBLDSBJHSKBDL-QLFBSQMISA-N 1 2 272.392 1.875 20 30 CDEDLO C=CCO[C@H](C)C(=O)N(C)[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001104597758 898775568 /nfs/dbraw/zinc/77/55/68/898775568.db2.gz YUXYTODMMGBDJJ-VXGBXAGGSA-N 1 2 292.383 1.635 20 30 CDEDLO C=C(C)CNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444104464 914332322 /nfs/dbraw/zinc/33/23/22/914332322.db2.gz YFCPQDKIDIYBNG-LBPRGKRZSA-N 1 2 262.357 1.885 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ncccc2Cl)C1 ZINC001031284207 914338036 /nfs/dbraw/zinc/33/80/36/914338036.db2.gz SHSIQJLDHGGPIQ-UHFFFAOYSA-N 1 2 263.728 1.172 20 30 CDEDLO C[C@@H]1[C@H](NC(=O)c2cccc3[nH+]ccn32)CCCN1CC#N ZINC000993598582 914372786 /nfs/dbraw/zinc/37/27/86/914372786.db2.gz JKMIQRBXGJFCFM-CHWSQXEVSA-N 1 2 297.362 1.441 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCOCC)C[C@@H]21 ZINC001176949367 914394185 /nfs/dbraw/zinc/39/41/85/914394185.db2.gz MRMLDZKEWGLANE-GJZGRUSLSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCOCC)C[C@@H]21 ZINC001176949367 914394193 /nfs/dbraw/zinc/39/41/93/914394193.db2.gz MRMLDZKEWGLANE-GJZGRUSLSA-N 1 2 296.411 1.291 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2nc[nH]n2)[C@H]1C ZINC000994171162 914426810 /nfs/dbraw/zinc/42/68/10/914426810.db2.gz DVMJWVNXACDKMP-GHMZBOCLSA-N 1 2 297.790 1.069 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2nc[nH]n2)[C@H]1C ZINC000994171162 914426825 /nfs/dbraw/zinc/42/68/25/914426825.db2.gz DVMJWVNXACDKMP-GHMZBOCLSA-N 1 2 297.790 1.069 20 30 CDEDLO C#CCCCCC(=O)NCC[NH2+]Cc1nnc(C(C)C)o1 ZINC001125966823 900284414 /nfs/dbraw/zinc/28/44/14/900284414.db2.gz DQGKOUYZBWFGPL-UHFFFAOYSA-N 1 2 292.383 1.592 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2cccc(OC)c21 ZINC001038785159 900812227 /nfs/dbraw/zinc/81/22/27/900812227.db2.gz HOAGUBNYADEJFI-LSDHHAIUSA-N 1 2 298.386 1.549 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2cccc(OC)c21 ZINC001038785159 900812236 /nfs/dbraw/zinc/81/22/36/900812236.db2.gz HOAGUBNYADEJFI-LSDHHAIUSA-N 1 2 298.386 1.549 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2ccc(OC)c(OC)c2)C1 ZINC001031339292 914532812 /nfs/dbraw/zinc/53/28/12/914532812.db2.gz JVFQMHWGQPCRPY-UHFFFAOYSA-N 1 2 288.347 1.141 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cnc(C)nc2C2CC2)C1 ZINC001031333496 914529230 /nfs/dbraw/zinc/52/92/30/914529230.db2.gz MONKFJOTLKEKSU-UHFFFAOYSA-N 1 2 284.363 1.100 20 30 CDEDLO CC1(C#N)CC[NH+](Cc2cn3ccncc3n2)CC1 ZINC001139697548 901404080 /nfs/dbraw/zinc/40/40/80/901404080.db2.gz BXIVFZPBMSQJMV-UHFFFAOYSA-N 1 2 255.325 1.855 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]c(C)nc1C ZINC001028145909 901434195 /nfs/dbraw/zinc/43/41/95/901434195.db2.gz ZGYGMYQHTRIECO-GFCCVEGCSA-N 1 2 296.802 1.973 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]c(C)nc1C ZINC001028145909 901434203 /nfs/dbraw/zinc/43/42/03/901434203.db2.gz ZGYGMYQHTRIECO-GFCCVEGCSA-N 1 2 296.802 1.973 20 30 CDEDLO CC(C)C[C@@H](C#N)NC(=O)CN(C)c1cccc[nH+]1 ZINC001177417094 914674104 /nfs/dbraw/zinc/67/41/04/914674104.db2.gz KVOWRWLOWZARBG-LBPRGKRZSA-N 1 2 260.341 1.572 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2cnn(CC)n2)CC1 ZINC001002757348 921233139 /nfs/dbraw/zinc/23/31/39/921233139.db2.gz YXQKOSXPYZZVFY-UHFFFAOYSA-N 1 2 297.790 1.245 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCOC2)[C@H]1C ZINC001088486815 907452214 /nfs/dbraw/zinc/45/22/14/907452214.db2.gz CQGQSLPEYRMGSH-UPJWGTAASA-N 1 2 286.803 1.745 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCOC2)[C@H]1C ZINC001088486815 907452221 /nfs/dbraw/zinc/45/22/21/907452221.db2.gz CQGQSLPEYRMGSH-UPJWGTAASA-N 1 2 286.803 1.745 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CC(=O)N(C)C[C@H]2C)cc1 ZINC000783734612 907581664 /nfs/dbraw/zinc/58/16/64/907581664.db2.gz URLSSDUYUUURCZ-CYBMUJFWSA-N 1 2 272.348 1.361 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)cc1 ZINC000783734612 907581671 /nfs/dbraw/zinc/58/16/71/907581671.db2.gz URLSSDUYUUURCZ-CYBMUJFWSA-N 1 2 272.348 1.361 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cncnc2)[C@H]1C ZINC001088544413 907645694 /nfs/dbraw/zinc/64/56/94/907645694.db2.gz DSVOQSIPCKZJEE-YPMHNXCESA-N 1 2 294.786 1.351 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cncnc2)[C@H]1C ZINC001088544413 907645698 /nfs/dbraw/zinc/64/56/98/907645698.db2.gz DSVOQSIPCKZJEE-YPMHNXCESA-N 1 2 294.786 1.351 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1OC ZINC001212024487 908255656 /nfs/dbraw/zinc/25/56/56/908255656.db2.gz VDHHNZQAYNAGQV-ONYUAGEFSA-N 1 2 272.776 1.521 20 30 CDEDLO C=CCCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1OC ZINC001212024487 908255668 /nfs/dbraw/zinc/25/56/68/908255668.db2.gz VDHHNZQAYNAGQV-ONYUAGEFSA-N 1 2 272.776 1.521 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2cnc(CC)s2)CC1 ZINC000989772307 909001174 /nfs/dbraw/zinc/00/11/74/909001174.db2.gz BXCWTBUZAZIOOK-UHFFFAOYSA-N 1 2 277.393 1.487 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2cnc(CC)s2)CC1 ZINC000989772307 909001190 /nfs/dbraw/zinc/00/11/90/909001190.db2.gz BXCWTBUZAZIOOK-UHFFFAOYSA-N 1 2 277.393 1.487 20 30 CDEDLO C=CCCCC(=O)NCC1CC[NH+](Cc2cnon2)CC1 ZINC001224276724 909243094 /nfs/dbraw/zinc/24/30/94/909243094.db2.gz HPIJFJMSCZWGKP-UHFFFAOYSA-N 1 2 292.383 1.754 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC001032926667 921498593 /nfs/dbraw/zinc/49/85/93/921498593.db2.gz VBVNIGCUQWRZAP-LLVKDONJSA-N 1 2 268.748 1.309 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC001032926667 921498599 /nfs/dbraw/zinc/49/85/99/921498599.db2.gz VBVNIGCUQWRZAP-LLVKDONJSA-N 1 2 268.748 1.309 20 30 CDEDLO C[C@H]([NH2+]CCNC(=O)C#CC1CC1)c1nc(C2CC2)no1 ZINC001126885190 909540519 /nfs/dbraw/zinc/54/05/19/909540519.db2.gz COLYKRJWYRJBIT-JTQLQIEISA-N 1 2 288.351 1.127 20 30 CDEDLO CC(C)(C)C#CC(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001126893040 909592758 /nfs/dbraw/zinc/59/27/58/909592758.db2.gz CZPXLTXPVCARGH-UHFFFAOYSA-N 1 2 290.367 1.202 20 30 CDEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CSC)CC2)C1 ZINC001093504503 909924831 /nfs/dbraw/zinc/92/48/31/909924831.db2.gz RUKFJPGFMGAKKX-UHFFFAOYSA-N 1 2 298.452 1.617 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](OCCCCCC#N)C[N@@H+]1C ZINC001224689722 910246253 /nfs/dbraw/zinc/24/62/53/910246253.db2.gz HLGFRFZDFJUOHR-NEPJUHHUSA-N 1 2 254.330 1.333 20 30 CDEDLO COC(=O)[C@@H]1C[C@@H](OCCCCCC#N)C[N@H+]1C ZINC001224689722 910246276 /nfs/dbraw/zinc/24/62/76/910246276.db2.gz HLGFRFZDFJUOHR-NEPJUHHUSA-N 1 2 254.330 1.333 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1n[nH]c2c1CCC2 ZINC001483360354 910974113 /nfs/dbraw/zinc/97/41/13/910974113.db2.gz KPGHKRJYXODHAL-SNVBAGLBSA-N 1 2 296.802 1.701 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1n[nH]c2c1CCC2 ZINC001483360354 910974129 /nfs/dbraw/zinc/97/41/29/910974129.db2.gz KPGHKRJYXODHAL-SNVBAGLBSA-N 1 2 296.802 1.701 20 30 CDEDLO N#C[C@@H]1C[NH2+]CCN1[C@@H]1CSc2ccccc2C1 ZINC001172196270 911480576 /nfs/dbraw/zinc/48/05/76/911480576.db2.gz NQQKWJSWUBXZCU-QWHCGFSZSA-N 1 2 259.378 1.501 20 30 CDEDLO CCn1nnc2c1CC[N@H+]([C@H](C)CCCC#N)[C@H]2COC ZINC001172495766 911729952 /nfs/dbraw/zinc/72/99/52/911729952.db2.gz HOYRJXHLYOMSTR-OCCSQVGLSA-N 1 2 291.399 1.926 20 30 CDEDLO CCn1nnc2c1CC[N@@H+]([C@H](C)CCCC#N)[C@H]2COC ZINC001172495766 911729957 /nfs/dbraw/zinc/72/99/57/911729957.db2.gz HOYRJXHLYOMSTR-OCCSQVGLSA-N 1 2 291.399 1.926 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cn3c(n2)CCCC3)C1 ZINC001030388453 911739167 /nfs/dbraw/zinc/73/91/67/911739167.db2.gz QREZGDDUYUXVJA-UHFFFAOYSA-N 1 2 274.368 1.210 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CCCO[C@@H]2CC)C1 ZINC001030424470 911804663 /nfs/dbraw/zinc/80/46/63/911804663.db2.gz SJZIGLKQTFBRRY-UONOGXRCSA-N 1 2 264.369 1.015 20 30 CDEDLO N#CCN(Cc1ccccc1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178105084 915174838 /nfs/dbraw/zinc/17/48/38/915174838.db2.gz LHIPGSIDEDTVPF-OAHLLOKOSA-N 1 2 294.358 1.998 20 30 CDEDLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1nc2ncccc2cc1C#N ZINC001178690171 915567297 /nfs/dbraw/zinc/56/72/97/915567297.db2.gz ORTIZAQAUWVLOB-CYBMUJFWSA-N 1 2 295.346 1.924 20 30 CDEDLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1nc2ncccc2cc1C#N ZINC001178690171 915567306 /nfs/dbraw/zinc/56/73/06/915567306.db2.gz ORTIZAQAUWVLOB-CYBMUJFWSA-N 1 2 295.346 1.924 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc(OCC)n[nH]2)C1 ZINC001031761443 915719763 /nfs/dbraw/zinc/71/97/63/915719763.db2.gz NDDYTPYLRIODFB-UHFFFAOYSA-N 1 2 298.774 1.223 20 30 CDEDLO C=CCCCC(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)[C@@H]1C ZINC001179454832 915841680 /nfs/dbraw/zinc/84/16/80/915841680.db2.gz JEKUMWJTFNKYFL-AAEUAGOBSA-N 1 2 292.383 1.813 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)CSC)C1 ZINC001149103400 936347791 /nfs/dbraw/zinc/34/77/91/936347791.db2.gz DYLVYLPPDYVMAS-LLVKDONJSA-N 1 2 292.832 1.309 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)CSC)C1 ZINC001149103400 936347792 /nfs/dbraw/zinc/34/77/92/936347792.db2.gz DYLVYLPPDYVMAS-LLVKDONJSA-N 1 2 292.832 1.309 20 30 CDEDLO Cc1oncc1C[N@@H+]1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038135768 916708217 /nfs/dbraw/zinc/70/82/17/916708217.db2.gz CJWBNYXXLLTCAS-ZDUSSCGKSA-N 1 2 299.334 1.187 20 30 CDEDLO Cc1oncc1C[N@H+]1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038135768 916708230 /nfs/dbraw/zinc/70/82/30/916708230.db2.gz CJWBNYXXLLTCAS-ZDUSSCGKSA-N 1 2 299.334 1.187 20 30 CDEDLO C[C@H](CNC(=O)CCc1[nH]cc[nH+]1)Nc1ccc(C#N)nc1 ZINC001097793047 936378936 /nfs/dbraw/zinc/37/89/36/936378936.db2.gz WEEOJPHSDVQYHY-LLVKDONJSA-N 1 2 298.350 1.226 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([NH2+]Cc2ncc(CC)o2)C1 ZINC001181510724 917114866 /nfs/dbraw/zinc/11/48/66/917114866.db2.gz BGDRNLFMSYRMDK-GFCCVEGCSA-N 1 2 277.368 1.894 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2n[nH]c3ccccc32)CC1 ZINC001052910928 936404929 /nfs/dbraw/zinc/40/49/29/936404929.db2.gz XDMNRVIYLMNZDY-CYBMUJFWSA-N 1 2 296.374 1.780 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2n[nH]c3ccccc32)CC1 ZINC001052910928 936404931 /nfs/dbraw/zinc/40/49/31/936404931.db2.gz XDMNRVIYLMNZDY-CYBMUJFWSA-N 1 2 296.374 1.780 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(C)CC=CC1)CO2 ZINC001053916351 936423497 /nfs/dbraw/zinc/42/34/97/936423497.db2.gz HEYJFGFSPNYUQB-CQSZACIVSA-N 1 2 288.391 1.326 20 30 CDEDLO C=CCOCC(=O)NCC[NH2+]Cc1nc(C(C)C)ns1 ZINC001124768185 917624089 /nfs/dbraw/zinc/62/40/89/917624089.db2.gz 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/nfs/dbraw/zinc/88/20/38/921882038.db2.gz UDQHCFJVEDMHLK-SNVBAGLBSA-N 1 2 297.811 1.884 20 30 CDEDLO C=C(C)[C@@H](CC(=O)NCC[NH2+]Cc1csnn1)OCC ZINC001128528622 921978033 /nfs/dbraw/zinc/97/80/33/921978033.db2.gz PVGOLENCXPPATC-GFCCVEGCSA-N 1 2 298.412 1.115 20 30 CDEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccccc3)C[C@H]21 ZINC001074148442 936734217 /nfs/dbraw/zinc/73/42/17/936734217.db2.gz VIACZIPPNFBEQA-IAGOWNOFSA-N 1 2 298.386 1.625 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccccc3)C[C@H]21 ZINC001074148442 936734219 /nfs/dbraw/zinc/73/42/19/936734219.db2.gz VIACZIPPNFBEQA-IAGOWNOFSA-N 1 2 298.386 1.625 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CCOC2)C1 ZINC001033366673 922185542 /nfs/dbraw/zinc/18/55/42/922185542.db2.gz YMXUFSROQFLEBH-DGCLKSJQSA-N 1 2 290.766 1.400 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CCOC2)C1 ZINC001033366673 922185548 /nfs/dbraw/zinc/18/55/48/922185548.db2.gz YMXUFSROQFLEBH-DGCLKSJQSA-N 1 2 290.766 1.400 20 30 CDEDLO C#CCCCC(=O)NCC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001099014834 936774876 /nfs/dbraw/zinc/77/48/76/936774876.db2.gz DUFKEEOVRCCNST-GFCCVEGCSA-N 1 2 274.368 1.895 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001035280810 922952607 /nfs/dbraw/zinc/95/26/07/922952607.db2.gz FSSHLCZLRWTOAH-CABCVRRESA-N 1 2 278.396 1.736 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001035280810 922952613 /nfs/dbraw/zinc/95/26/13/922952613.db2.gz FSSHLCZLRWTOAH-CABCVRRESA-N 1 2 278.396 1.736 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2sc(C)nc2C)C1 ZINC001035599504 923007356 /nfs/dbraw/zinc/00/73/56/923007356.db2.gz IVZPSMCWADNASK-GFCCVEGCSA-N 1 2 295.408 1.377 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2sc(C)nc2C)C1 ZINC001035599504 923007370 /nfs/dbraw/zinc/00/73/70/923007370.db2.gz IVZPSMCWADNASK-GFCCVEGCSA-N 1 2 295.408 1.377 20 30 CDEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCOC1)CC2 ZINC001035663667 923024935 /nfs/dbraw/zinc/02/49/35/923024935.db2.gz NHRCAIAXHYKHPR-ZDUSSCGKSA-N 1 2 298.814 1.700 20 30 CDEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](CC(=C)Cl)C[C@@H]1O ZINC001099726091 936804471 /nfs/dbraw/zinc/80/44/71/936804471.db2.gz DHQQMJGPTGMZGP-RYUDHWBXSA-N 1 2 272.776 1.257 20 30 CDEDLO C=CCCC(=O)N[C@H]1CC[N@H+](CC(=C)Cl)C[C@@H]1O ZINC001099726091 936804472 /nfs/dbraw/zinc/80/44/72/936804472.db2.gz DHQQMJGPTGMZGP-RYUDHWBXSA-N 1 2 272.776 1.257 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)/C=C(\C)CC)[C@H](O)C1 ZINC001099817928 936811353 /nfs/dbraw/zinc/81/13/53/936811353.db2.gz HLYXGFSHSHXDCJ-APIKWLIHSA-N 1 2 286.803 1.647 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)/C=C(\C)CC)[C@H](O)C1 ZINC001099817928 936811354 /nfs/dbraw/zinc/81/13/54/936811354.db2.gz HLYXGFSHSHXDCJ-APIKWLIHSA-N 1 2 286.803 1.647 20 30 CDEDLO C=CCCC(=O)NCC1(NC(=O)Cn2cc[nH+]c2)CCC1 ZINC001062687335 923555768 /nfs/dbraw/zinc/55/57/68/923555768.db2.gz WLAFIWWAUMMIQV-UHFFFAOYSA-N 1 2 290.367 1.004 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](F)CC)C[C@H]1O ZINC001195312665 924543076 /nfs/dbraw/zinc/54/30/76/924543076.db2.gz VGHAGLPDZYCEPO-IJLUTSLNSA-N 1 2 272.364 1.108 20 30 CDEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](F)CC)C[C@H]1O ZINC001195312665 924543084 /nfs/dbraw/zinc/54/30/84/924543084.db2.gz VGHAGLPDZYCEPO-IJLUTSLNSA-N 1 2 272.364 1.108 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCC[C@@](C)(CO)C2)nn1 ZINC001118564327 924636618 /nfs/dbraw/zinc/63/66/18/924636618.db2.gz AEGVGDIVSCEQMQ-CQSZACIVSA-N 1 2 264.373 1.449 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@](C)(CO)C2)nn1 ZINC001118564327 924636626 /nfs/dbraw/zinc/63/66/26/924636626.db2.gz AEGVGDIVSCEQMQ-CQSZACIVSA-N 1 2 264.373 1.449 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+](Cc2nocc2C)C[C@@H]1O ZINC001099723627 924704707 /nfs/dbraw/zinc/70/47/07/924704707.db2.gz IWVNGQIBYMERRZ-OCCSQVGLSA-N 1 2 293.367 1.001 20 30 CDEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](Cc2nocc2C)C[C@@H]1O ZINC001099723627 924704711 /nfs/dbraw/zinc/70/47/11/924704711.db2.gz IWVNGQIBYMERRZ-OCCSQVGLSA-N 1 2 293.367 1.001 20 30 CDEDLO C=CCc1cc(OC)cc(C[N@H+]2CC(=O)N[C@@H](C)C2)c1O ZINC000840131497 936939611 /nfs/dbraw/zinc/93/96/11/936939611.db2.gz AMSKQRXWJZHYFZ-NSHDSACASA-N 1 2 290.363 1.450 20 30 CDEDLO C=CCc1cc(OC)cc(C[N@@H+]2CC(=O)N[C@@H](C)C2)c1O ZINC000840131497 936939613 /nfs/dbraw/zinc/93/96/13/936939613.db2.gz AMSKQRXWJZHYFZ-NSHDSACASA-N 1 2 290.363 1.450 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(F)ccc2F)[C@H](OC)C1 ZINC001081802013 924795995 /nfs/dbraw/zinc/79/59/95/924795995.db2.gz OVEKYWDHNYISNN-ZIAGYGMSSA-N 1 2 294.301 1.027 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(F)ccc2F)[C@H](OC)C1 ZINC001081802013 924796005 /nfs/dbraw/zinc/79/60/05/924796005.db2.gz OVEKYWDHNYISNN-ZIAGYGMSSA-N 1 2 294.301 1.027 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001196588646 924945265 /nfs/dbraw/zinc/94/52/65/924945265.db2.gz CJQQLEQXDVJAIX-ARFHVFGLSA-N 1 2 292.423 1.387 20 30 CDEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001196588646 924945269 /nfs/dbraw/zinc/94/52/69/924945269.db2.gz CJQQLEQXDVJAIX-ARFHVFGLSA-N 1 2 292.423 1.387 20 30 CDEDLO C=CCN1C[C@@]2(F)C[N@@H+](CCCCF)C[C@@]2(F)C1=O ZINC001273754566 925230841 /nfs/dbraw/zinc/23/08/41/925230841.db2.gz RWFFEQPOIGKEKB-QWHCGFSZSA-N 1 2 276.302 1.497 20 30 CDEDLO C=CCN1C[C@@]2(F)C[N@H+](CCCCF)C[C@@]2(F)C1=O ZINC001273754566 925230846 /nfs/dbraw/zinc/23/08/46/925230846.db2.gz RWFFEQPOIGKEKB-QWHCGFSZSA-N 1 2 276.302 1.497 20 30 CDEDLO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4n[nH]cc43)[C@@H]2C1 ZINC001084565871 925288298 /nfs/dbraw/zinc/28/82/98/925288298.db2.gz YAXCXDMYNLZQKF-MLGOLLRUSA-N 1 2 296.374 1.895 20 30 CDEDLO C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4n[nH]cc43)[C@@H]2C1 ZINC001084565871 925288307 /nfs/dbraw/zinc/28/83/07/925288307.db2.gz YAXCXDMYNLZQKF-MLGOLLRUSA-N 1 2 296.374 1.895 20 30 CDEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C=C(C)C)c1nccn12 ZINC001101606127 936993903 /nfs/dbraw/zinc/99/39/03/936993903.db2.gz PIGUOIRUCXOPKL-ZDUSSCGKSA-N 1 2 286.379 1.607 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(CC)CC2)C1 ZINC001108194406 925588574 /nfs/dbraw/zinc/58/85/74/925588574.db2.gz SELVQXGNQJUCCT-HNNXBMFYSA-N 1 2 278.396 1.407 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(CC)CC2)C1 ZINC001108194406 925588580 /nfs/dbraw/zinc/58/85/80/925588580.db2.gz SELVQXGNQJUCCT-HNNXBMFYSA-N 1 2 278.396 1.407 20 30 CDEDLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)[nH]1 ZINC000826784916 925918344 /nfs/dbraw/zinc/91/83/44/925918344.db2.gz IOVUMIPWAJEYRK-QMMMGPOBSA-N 1 2 259.288 1.975 20 30 CDEDLO COc1cccc(NC(=O)[C@H]2CC3CC[NH+]2CC3)c1C#N ZINC001142633239 937043647 /nfs/dbraw/zinc/04/36/47/937043647.db2.gz TXSZOHLJCGIQFF-CQSZACIVSA-N 1 2 285.347 1.990 20 30 CDEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C)s1 ZINC001085512473 926097058 /nfs/dbraw/zinc/09/70/58/926097058.db2.gz VIEMGDZUZUHODS-NSHDSACASA-N 1 2 265.382 1.784 20 30 CDEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C)s1 ZINC001085512473 926097061 /nfs/dbraw/zinc/09/70/61/926097061.db2.gz VIEMGDZUZUHODS-NSHDSACASA-N 1 2 265.382 1.784 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(F)c(F)c1 ZINC001085640737 926237792 /nfs/dbraw/zinc/23/77/92/926237792.db2.gz TZTYCISWMAXJKD-GFCCVEGCSA-N 1 2 278.302 1.744 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(F)c(F)c1 ZINC001085640737 926237798 /nfs/dbraw/zinc/23/77/98/926237798.db2.gz TZTYCISWMAXJKD-GFCCVEGCSA-N 1 2 278.302 1.744 20 30 CDEDLO N#Cc1c2c(cn(C[N@@H+]3CC[C@@H]4OCC[C@@H]4C3)c1=O)CCC2 ZINC000842622755 937065635 /nfs/dbraw/zinc/06/56/35/937065635.db2.gz CBJBWFQOHKYHIV-CJNGLKHVSA-N 1 2 299.374 1.277 20 30 CDEDLO N#Cc1c2c(cn(C[N@H+]3CC[C@@H]4OCC[C@@H]4C3)c1=O)CCC2 ZINC000842622755 937065638 /nfs/dbraw/zinc/06/56/38/937065638.db2.gz CBJBWFQOHKYHIV-CJNGLKHVSA-N 1 2 299.374 1.277 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)cc1F ZINC001085837790 926436094 /nfs/dbraw/zinc/43/60/94/926436094.db2.gz RBDKMPUFSQJPQJ-CYBMUJFWSA-N 1 2 274.339 1.914 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)cc1F ZINC001085837790 926436100 /nfs/dbraw/zinc/43/61/00/926436100.db2.gz RBDKMPUFSQJPQJ-CYBMUJFWSA-N 1 2 274.339 1.914 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ncoc1C(C)C ZINC001085913844 926496802 /nfs/dbraw/zinc/49/68/02/926496802.db2.gz LGRFJERWCOERTN-LBPRGKRZSA-N 1 2 275.352 1.578 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ncoc1C(C)C ZINC001085913844 926496808 /nfs/dbraw/zinc/49/68/08/926496808.db2.gz LGRFJERWCOERTN-LBPRGKRZSA-N 1 2 275.352 1.578 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1Cc2ccccc2CO1 ZINC001085953672 926541591 /nfs/dbraw/zinc/54/15/91/926541591.db2.gz HGHACAQTGDAEJZ-IRXDYDNUSA-N 1 2 298.386 1.294 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1Cc2ccccc2CO1 ZINC001085953672 926541599 /nfs/dbraw/zinc/54/15/99/926541599.db2.gz HGHACAQTGDAEJZ-IRXDYDNUSA-N 1 2 298.386 1.294 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2c[nH]c3cc(C#N)ccc23)CC(=O)N1 ZINC001142911805 937091483 /nfs/dbraw/zinc/09/14/83/937091483.db2.gz KGJYPIRNQRVHTI-SNVBAGLBSA-N 1 2 268.320 1.360 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)CC(=O)N1 ZINC001142911805 937091487 /nfs/dbraw/zinc/09/14/87/937091487.db2.gz KGJYPIRNQRVHTI-SNVBAGLBSA-N 1 2 268.320 1.360 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)nsc1C ZINC001085991546 926574991 /nfs/dbraw/zinc/57/49/91/926574991.db2.gz QJMPUSXGPRPFAN-CYBMUJFWSA-N 1 2 291.420 1.930 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)nsc1C ZINC001085991546 926574998 /nfs/dbraw/zinc/57/49/98/926574998.db2.gz QJMPUSXGPRPFAN-CYBMUJFWSA-N 1 2 291.420 1.930 20 30 CDEDLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)CC(C)(C)C#N ZINC000842968729 937096102 /nfs/dbraw/zinc/09/61/02/937096102.db2.gz WAWSGDGKPNFMDU-CHWSQXEVSA-N 1 2 298.383 1.205 20 30 CDEDLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)CC(C)(C)C#N ZINC000842968729 937096105 /nfs/dbraw/zinc/09/61/05/937096105.db2.gz WAWSGDGKPNFMDU-CHWSQXEVSA-N 1 2 298.383 1.205 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001437542983 926801968 /nfs/dbraw/zinc/80/19/68/926801968.db2.gz VGSYHUHNADXIDA-LLVKDONJSA-N 1 2 298.818 1.399 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001437542983 926801976 /nfs/dbraw/zinc/80/19/76/926801976.db2.gz VGSYHUHNADXIDA-LLVKDONJSA-N 1 2 298.818 1.399 20 30 CDEDLO C=CCCC(=O)N[C@@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001108286387 927264257 /nfs/dbraw/zinc/26/42/57/927264257.db2.gz JGDOOVOEQOQCOU-JTQLQIEISA-N 1 2 288.355 1.246 20 30 CDEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1COCCO1 ZINC000853209116 927978354 /nfs/dbraw/zinc/97/83/54/927978354.db2.gz LHVYWXFTFVSCSN-CYBMUJFWSA-N 1 2 276.336 1.701 20 30 CDEDLO N#CC[C@H]1CCC[N@@H+](CN2C[C@@H](c3cccnc3)CC2=O)C1 ZINC000853525301 928036781 /nfs/dbraw/zinc/03/67/81/928036781.db2.gz UVTKHZKAKXKAAN-ZBFHGGJFSA-N 1 2 298.390 1.981 20 30 CDEDLO N#CC[C@H]1CCC[N@H+](CN2C[C@@H](c3cccnc3)CC2=O)C1 ZINC000853525301 928036791 /nfs/dbraw/zinc/03/67/91/928036791.db2.gz UVTKHZKAKXKAAN-ZBFHGGJFSA-N 1 2 298.390 1.981 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](F)CC)C1 ZINC001150150578 937221020 /nfs/dbraw/zinc/22/10/20/937221020.db2.gz ZVBOBSKPASCYCB-NEPJUHHUSA-N 1 2 292.782 1.694 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H](F)CC)C1 ZINC001150150578 937221023 /nfs/dbraw/zinc/22/10/23/937221023.db2.gz ZVBOBSKPASCYCB-NEPJUHHUSA-N 1 2 292.782 1.694 20 30 CDEDLO C#C[C@H](CC)NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000854070459 928147250 /nfs/dbraw/zinc/14/72/50/928147250.db2.gz NSZSNMCOCCGRKO-OLZOCXBDSA-N 1 2 260.341 1.641 20 30 CDEDLO C[C@@H]1C[N@H+](CCNC(=O)C#Cc2ccccc2)[C@H](C)CO1 ZINC000855411129 928407788 /nfs/dbraw/zinc/40/77/88/928407788.db2.gz NUKGODOHZDNHBY-HUUCEWRRSA-N 1 2 286.375 1.264 20 30 CDEDLO C[C@@H]1C[N@@H+](CCNC(=O)C#Cc2ccccc2)[C@H](C)CO1 ZINC000855411129 928407792 /nfs/dbraw/zinc/40/77/92/928407792.db2.gz NUKGODOHZDNHBY-HUUCEWRRSA-N 1 2 286.375 1.264 20 30 CDEDLO CC[C@@](C)(C#N)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC001169860809 928481703 /nfs/dbraw/zinc/48/17/03/928481703.db2.gz DSMAWBNDPPIFDX-MCIGGMRASA-N 1 2 258.387 1.624 20 30 CDEDLO C#CCCCC(=O)N[C@@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001108921926 928724830 /nfs/dbraw/zinc/72/48/30/928724830.db2.gz VWQIMVZGZFAPNI-LBPRGKRZSA-N 1 2 274.368 1.529 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCOC)C2 ZINC001108989030 928756570 /nfs/dbraw/zinc/75/65/70/928756570.db2.gz PRSLYBQRXVPDKW-AGIUHOORSA-N 1 2 286.803 1.887 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCOC)C2 ZINC001108989030 928756575 /nfs/dbraw/zinc/75/65/75/928756575.db2.gz PRSLYBQRXVPDKW-AGIUHOORSA-N 1 2 286.803 1.887 20 30 CDEDLO C=CCCOCC(=O)N[C@@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001108996728 928762421 /nfs/dbraw/zinc/76/24/21/928762421.db2.gz VIZXEZIPWABTDG-LBPRGKRZSA-N 1 2 292.383 1.319 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1(O)CCC1)C2 ZINC001109248785 928848284 /nfs/dbraw/zinc/84/82/84/928848284.db2.gz VUIUQNXUMRHBEY-AGIUHOORSA-N 1 2 298.814 1.766 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1(O)CCC1)C2 ZINC001109248785 928848295 /nfs/dbraw/zinc/84/82/95/928848295.db2.gz VUIUQNXUMRHBEY-AGIUHOORSA-N 1 2 298.814 1.766 20 30 CDEDLO Cc1nc(NC[C@H](NC(=O)C#CC2CC2)C2CC2)cc[nH+]1 ZINC001109842781 929063305 /nfs/dbraw/zinc/06/33/05/929063305.db2.gz LRZPSKBEOQWRCQ-AWEZNQCLSA-N 1 2 284.363 1.505 20 30 CDEDLO C=C[C@](C)(O)C[N@@H+]1CCc2nc(Cl)ncc2C1 ZINC001252554527 929173585 /nfs/dbraw/zinc/17/35/85/929173585.db2.gz IEQSYOIREJOABC-LBPRGKRZSA-N 1 2 253.733 1.425 20 30 CDEDLO C=C[C@](C)(O)C[N@H+]1CCc2nc(Cl)ncc2C1 ZINC001252554527 929173593 /nfs/dbraw/zinc/17/35/93/929173593.db2.gz IEQSYOIREJOABC-LBPRGKRZSA-N 1 2 253.733 1.425 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001151970742 937322818 /nfs/dbraw/zinc/32/28/18/937322818.db2.gz RLXUKIHLOPAGFJ-JSGCOSHPSA-N 1 2 294.395 1.485 20 30 CDEDLO N#Cc1ccc(OCCC[N@@H+]2CCc3nn[nH]c3C2)cc1 ZINC000788469130 929534461 /nfs/dbraw/zinc/53/44/61/929534461.db2.gz NTOOXYLUVQYQBC-UHFFFAOYSA-N 1 2 283.335 1.504 20 30 CDEDLO N#Cc1ccc(OCCC[N@H+]2CCc3nn[nH]c3C2)cc1 ZINC000788469130 929534470 /nfs/dbraw/zinc/53/44/70/929534470.db2.gz NTOOXYLUVQYQBC-UHFFFAOYSA-N 1 2 283.335 1.504 20 30 CDEDLO C#CC[C@H](CCOC)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000863780138 929606748 /nfs/dbraw/zinc/60/67/48/929606748.db2.gz YBAHTTWHSVBNJQ-CHWSQXEVSA-N 1 2 263.341 1.379 20 30 CDEDLO Nc1ncc2c(n1)CCCC2=[NH+]OC1CCOCC1 ZINC000814906057 929884774 /nfs/dbraw/zinc/88/47/74/929884774.db2.gz DPNOUEGXFZMBJM-UHFFFAOYSA-N 1 2 262.313 1.295 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCCC[C@H]1CCC ZINC000884123529 930450492 /nfs/dbraw/zinc/45/04/92/930450492.db2.gz WHADZTBNYULSLO-RDBSUJKOSA-N 1 2 296.411 1.908 20 30 CDEDLO C[C@@H](C#N)OCC[N@@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000817299146 930488588 /nfs/dbraw/zinc/48/85/88/930488588.db2.gz VXYLYUYSRKKVGO-DZGCQCFKSA-N 1 2 293.411 1.686 20 30 CDEDLO C[C@@H](C#N)OCC[N@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000817299146 930488594 /nfs/dbraw/zinc/48/85/94/930488594.db2.gz VXYLYUYSRKKVGO-DZGCQCFKSA-N 1 2 293.411 1.686 20 30 CDEDLO CC[N@H+](Cc1nccn1C)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153232505 937431150 /nfs/dbraw/zinc/43/11/50/937431150.db2.gz FTBBSOSMGRKAEG-CYBMUJFWSA-N 1 2 288.395 1.160 20 30 CDEDLO CC[N@@H+](Cc1nccn1C)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153232505 937431151 /nfs/dbraw/zinc/43/11/51/937431151.db2.gz FTBBSOSMGRKAEG-CYBMUJFWSA-N 1 2 288.395 1.160 20 30 CDEDLO N#CCC[NH2+]C[C@H]1CC(c2ccc3c(c2)CCO3)=NO1 ZINC000819292466 930779431 /nfs/dbraw/zinc/77/94/31/930779431.db2.gz IXTVCAPFXRNQNX-CYBMUJFWSA-N 1 2 271.320 1.618 20 30 CDEDLO COc1cc(Cl)ccc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000819472081 930807454 /nfs/dbraw/zinc/80/74/54/930807454.db2.gz DYRBQNLFWIRRRX-GFCCVEGCSA-N 1 2 297.786 1.967 20 30 CDEDLO COc1cc(Cl)ccc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000819472081 930807459 /nfs/dbraw/zinc/80/74/59/930807459.db2.gz DYRBQNLFWIRRRX-GFCCVEGCSA-N 1 2 297.786 1.967 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)CCn1cnc(Br)n1 ZINC000821369523 931035743 /nfs/dbraw/zinc/03/57/43/931035743.db2.gz VGPNGMFWETVWOO-QMMMGPOBSA-N 1 2 272.150 1.132 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)CCn1cnc(Br)n1 ZINC000821369523 931035751 /nfs/dbraw/zinc/03/57/51/931035751.db2.gz VGPNGMFWETVWOO-QMMMGPOBSA-N 1 2 272.150 1.132 20 30 CDEDLO C#C[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccc1O)C(C)C ZINC000822665970 931188239 /nfs/dbraw/zinc/18/82/39/931188239.db2.gz AXYYBOBJLORMLD-AWEZNQCLSA-N 1 2 283.331 1.966 20 30 CDEDLO C#CCCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890263213 931423223 /nfs/dbraw/zinc/42/32/23/931423223.db2.gz XHOCJFAXWQEPSL-HNNXBMFYSA-N 1 2 282.347 1.947 20 30 CDEDLO C[N@@H+](Cc1cnc[nH]1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000844360120 931589286 /nfs/dbraw/zinc/58/92/86/931589286.db2.gz GCMFVSLOPSJXRE-CQSZACIVSA-N 1 2 256.309 1.447 20 30 CDEDLO C[N@H+](Cc1cnc[nH]1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000844360120 931589288 /nfs/dbraw/zinc/58/92/88/931589288.db2.gz GCMFVSLOPSJXRE-CQSZACIVSA-N 1 2 256.309 1.447 20 30 CDEDLO Cc1nc(N[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)cc[nH+]1 ZINC001090970727 931652128 /nfs/dbraw/zinc/65/21/28/931652128.db2.gz AYXTVVDPCAKQQX-TZMCWYRMSA-N 1 2 286.379 1.703 20 30 CDEDLO C=C[C@H](C)ONC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000845623407 931861136 /nfs/dbraw/zinc/86/11/36/931861136.db2.gz QSJWUMVEXYLQSV-NWDGAFQWSA-N 1 2 278.356 1.815 20 30 CDEDLO C=C[C@@H](C)ONC(=O)NCCCNc1cccc[nH+]1 ZINC000845637494 931866252 /nfs/dbraw/zinc/86/62/52/931866252.db2.gz ACHKLLXGJRTVGP-LLVKDONJSA-N 1 2 264.329 1.689 20 30 CDEDLO CCN1CC[N@@H+]([C@H](C)Cc2cccc(C#N)c2)CC1=O ZINC001171224551 932034896 /nfs/dbraw/zinc/03/48/96/932034896.db2.gz SYVCYQQIHSBTSQ-CYBMUJFWSA-N 1 2 271.364 1.653 20 30 CDEDLO CCN1CC[N@H+]([C@H](C)Cc2cccc(C#N)c2)CC1=O ZINC001171224551 932034903 /nfs/dbraw/zinc/03/49/03/932034903.db2.gz SYVCYQQIHSBTSQ-CYBMUJFWSA-N 1 2 271.364 1.653 20 30 CDEDLO C=CCCn1cc(C[NH+]2CCC(OC(C)=O)CC2)nn1 ZINC000846834161 932146196 /nfs/dbraw/zinc/14/61/96/932146196.db2.gz LVSKMLPHFDQYAI-UHFFFAOYSA-N 1 2 278.356 1.382 20 30 CDEDLO Cc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC000932164285 933674445 /nfs/dbraw/zinc/67/44/45/933674445.db2.gz YYCDSDPBXOOHKT-GJZGRUSLSA-N 1 2 274.364 1.970 20 30 CDEDLO Cc1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC000932164285 933674457 /nfs/dbraw/zinc/67/44/57/933674457.db2.gz YYCDSDPBXOOHKT-GJZGRUSLSA-N 1 2 274.364 1.970 20 30 CDEDLO C=C(C)C[N@@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000778230266 933908066 /nfs/dbraw/zinc/90/80/66/933908066.db2.gz FXJBZJLCZBKXHQ-UHFFFAOYSA-N 1 2 282.347 1.928 20 30 CDEDLO C=C(C)C[N@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000778230266 933908071 /nfs/dbraw/zinc/90/80/71/933908071.db2.gz FXJBZJLCZBKXHQ-UHFFFAOYSA-N 1 2 282.347 1.928 20 30 CDEDLO C#CCCCCCC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779097394 934397497 /nfs/dbraw/zinc/39/74/97/934397497.db2.gz VAONGZURPJPFFD-CYBMUJFWSA-N 1 2 259.353 1.898 20 30 CDEDLO C=C[C@](C)(CCOC)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000188543290 934438814 /nfs/dbraw/zinc/43/88/14/934438814.db2.gz XLUPVFHGRVIBOS-UKRRQHHQSA-N 1 2 285.384 1.479 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cncnc2)C1 ZINC001007237953 934748264 /nfs/dbraw/zinc/74/82/64/934748264.db2.gz UYBZGDDMEUYLOX-ZDUSSCGKSA-N 1 2 294.786 1.352 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cncnc2)C1 ZINC001007237953 934748267 /nfs/dbraw/zinc/74/82/67/934748267.db2.gz UYBZGDDMEUYLOX-ZDUSSCGKSA-N 1 2 294.786 1.352 20 30 CDEDLO CC[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1NCC#N ZINC001037841890 935297744 /nfs/dbraw/zinc/29/77/44/935297744.db2.gz QVSJSKBNTPRRHL-QWHCGFSZSA-N 1 2 289.383 1.083 20 30 CDEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc(Cl)cs1)C2 ZINC001095920420 935392395 /nfs/dbraw/zinc/39/23/95/935392395.db2.gz WWLBRVCCAUMKTD-UTLUCORTSA-N 1 2 295.795 1.765 20 30 CDEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc(Cl)cs1)C2 ZINC001095920420 935392399 /nfs/dbraw/zinc/39/23/99/935392399.db2.gz WWLBRVCCAUMKTD-UTLUCORTSA-N 1 2 295.795 1.765 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001008212306 935399709 /nfs/dbraw/zinc/39/97/09/935399709.db2.gz AGVHBVHXYMXOQK-WCQGTBRESA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001008212306 935399715 /nfs/dbraw/zinc/39/97/15/935399715.db2.gz AGVHBVHXYMXOQK-WCQGTBRESA-N 1 2 256.777 1.976 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC001010348697 935452688 /nfs/dbraw/zinc/45/26/88/935452688.db2.gz BLUUNMUPDRETNY-NEPJUHHUSA-N 1 2 272.776 1.356 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC001010348697 935452691 /nfs/dbraw/zinc/45/26/91/935452691.db2.gz BLUUNMUPDRETNY-NEPJUHHUSA-N 1 2 272.776 1.356 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001010365502 935454293 /nfs/dbraw/zinc/45/42/93/935454293.db2.gz VVUXWGWBPUMAAP-NSHDSACASA-N 1 2 263.366 1.279 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001010365502 935454295 /nfs/dbraw/zinc/45/42/95/935454295.db2.gz VVUXWGWBPUMAAP-NSHDSACASA-N 1 2 263.366 1.279 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010650370 935467239 /nfs/dbraw/zinc/46/72/39/935467239.db2.gz LEGRRZIRWBGVRL-NSHDSACASA-N 1 2 278.743 1.443 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010650370 935467242 /nfs/dbraw/zinc/46/72/42/935467242.db2.gz LEGRRZIRWBGVRL-NSHDSACASA-N 1 2 278.743 1.443 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC2(F)F)C1 ZINC001014892702 935553506 /nfs/dbraw/zinc/55/35/06/935553506.db2.gz VCMDAWIDTFZOHI-UWVGGRQHSA-N 1 2 278.730 1.975 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC2(F)F)C1 ZINC001014892702 935553509 /nfs/dbraw/zinc/55/35/09/935553509.db2.gz VCMDAWIDTFZOHI-UWVGGRQHSA-N 1 2 278.730 1.975 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(F)c1 ZINC001017405190 935637676 /nfs/dbraw/zinc/63/76/76/935637676.db2.gz ZIMZNFFCFRCEAN-BETUJISGSA-N 1 2 273.311 1.143 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(F)c1 ZINC001017405190 935637681 /nfs/dbraw/zinc/63/76/81/935637681.db2.gz ZIMZNFFCFRCEAN-BETUJISGSA-N 1 2 273.311 1.143 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC1(F)F ZINC001017644933 935645238 /nfs/dbraw/zinc/64/52/38/935645238.db2.gz FFRSYRXZOSNBJE-XQQFMLRXSA-N 1 2 282.334 1.730 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC1(F)F ZINC001017644933 935645242 /nfs/dbraw/zinc/64/52/42/935645242.db2.gz FFRSYRXZOSNBJE-XQQFMLRXSA-N 1 2 282.334 1.730 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC1(C)C ZINC001017822560 935650442 /nfs/dbraw/zinc/65/04/42/935650442.db2.gz CKHUYBGWMYZCHU-MJBXVCDLSA-N 1 2 260.381 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC1(C)C ZINC001017822560 935650447 /nfs/dbraw/zinc/65/04/47/935650447.db2.gz CKHUYBGWMYZCHU-MJBXVCDLSA-N 1 2 260.381 1.731 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(C)C)CC1 ZINC001017920914 935654970 /nfs/dbraw/zinc/65/49/70/935654970.db2.gz VISSSYSQDGXFCD-OKILXGFUSA-N 1 2 260.381 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(C)C)CC1 ZINC001017920914 935654973 /nfs/dbraw/zinc/65/49/73/935654973.db2.gz VISSSYSQDGXFCD-OKILXGFUSA-N 1 2 260.381 1.731 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OC)n1 ZINC001018132771 935660925 /nfs/dbraw/zinc/66/09/25/935660925.db2.gz MLMFJVXLFXCEQB-OKILXGFUSA-N 1 2 299.374 1.402 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OC)n1 ZINC001018132771 935660930 /nfs/dbraw/zinc/66/09/30/935660930.db2.gz MLMFJVXLFXCEQB-OKILXGFUSA-N 1 2 299.374 1.402 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)cc1 ZINC001018210609 935662345 /nfs/dbraw/zinc/66/23/45/935662345.db2.gz NBXHZGPVIIGKOY-IYBDPMFKSA-N 1 2 268.360 1.917 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)cc1 ZINC001018210609 935662347 /nfs/dbraw/zinc/66/23/47/935662347.db2.gz NBXHZGPVIIGKOY-IYBDPMFKSA-N 1 2 268.360 1.917 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)cc1OC ZINC001018195136 935662595 /nfs/dbraw/zinc/66/25/95/935662595.db2.gz KRFWNPSXDNIPLE-GASCZTMLSA-N 1 2 298.386 1.926 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)cc1OC ZINC001018195136 935662599 /nfs/dbraw/zinc/66/25/99/935662599.db2.gz KRFWNPSXDNIPLE-GASCZTMLSA-N 1 2 298.386 1.926 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(F)ccc(C)c1F ZINC001038666220 935752285 /nfs/dbraw/zinc/75/22/85/935752285.db2.gz CWTJBIBQSYKSRE-LLVKDONJSA-N 1 2 278.302 1.711 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(F)ccc(C)c1F ZINC001038666220 935752288 /nfs/dbraw/zinc/75/22/88/935752288.db2.gz CWTJBIBQSYKSRE-LLVKDONJSA-N 1 2 278.302 1.711 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnnc2ccccc21 ZINC001038748729 935755525 /nfs/dbraw/zinc/75/55/25/935755525.db2.gz IFVGUAJPJUZLCG-CYBMUJFWSA-N 1 2 294.358 1.457 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnnc2ccccc21 ZINC001038748729 935755527 /nfs/dbraw/zinc/75/55/27/935755527.db2.gz IFVGUAJPJUZLCG-CYBMUJFWSA-N 1 2 294.358 1.457 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2ccccc2O1 ZINC001038820837 935757724 /nfs/dbraw/zinc/75/77/24/935757724.db2.gz NIBJUBSSTWHSGX-DOTOQJQBSA-N 1 2 298.386 1.594 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2ccccc2O1 ZINC001038820837 935757726 /nfs/dbraw/zinc/75/77/26/935757726.db2.gz NIBJUBSSTWHSGX-DOTOQJQBSA-N 1 2 298.386 1.594 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1N(C)C ZINC001039079081 935768827 /nfs/dbraw/zinc/76/88/27/935768827.db2.gz XYXPELOIPRUXEC-AWEZNQCLSA-N 1 2 285.391 1.580 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1N(C)C ZINC001039079081 935768829 /nfs/dbraw/zinc/76/88/29/935768829.db2.gz XYXPELOIPRUXEC-AWEZNQCLSA-N 1 2 285.391 1.580 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc3c(c2)nnn3C)C1 ZINC001043093988 935833348 /nfs/dbraw/zinc/83/33/48/935833348.db2.gz QPSJYGDZDRJLJX-UHFFFAOYSA-N 1 2 299.378 1.301 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2CC23CC(OCC)C3)C1 ZINC001043856326 935844872 /nfs/dbraw/zinc/84/48/72/935844872.db2.gz LITWOEGUBICFGA-BBBYJDLNSA-N 1 2 278.396 1.520 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)Cc2csc(C)n2)C1 ZINC001044268088 935856317 /nfs/dbraw/zinc/85/63/17/935856317.db2.gz GOQSDGGIECODEN-UHFFFAOYSA-N 1 2 279.409 1.713 20 30 CDEDLO C[C@@H]1C[C@H](NCC#N)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC001044678752 935867587 /nfs/dbraw/zinc/86/75/87/935867587.db2.gz YMGYGWQMFGBWFS-CHWSQXEVSA-N 1 2 297.362 1.441 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046223475 935935396 /nfs/dbraw/zinc/93/53/96/935935396.db2.gz LTNAWHQVBUQUDL-AWEZNQCLSA-N 1 2 292.770 1.833 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046223475 935935399 /nfs/dbraw/zinc/93/53/99/935935399.db2.gz LTNAWHQVBUQUDL-AWEZNQCLSA-N 1 2 292.770 1.833 20 30 CDEDLO C=CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCc3cn[nH]c32)C1 ZINC001046319405 935941255 /nfs/dbraw/zinc/94/12/55/935941255.db2.gz RINUQVJZHUPWKO-CJNGLKHVSA-N 1 2 288.395 1.596 20 30 CDEDLO C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCc3cn[nH]c32)C1 ZINC001046319405 935941257 /nfs/dbraw/zinc/94/12/57/935941257.db2.gz RINUQVJZHUPWKO-CJNGLKHVSA-N 1 2 288.395 1.596 20 30 CDEDLO C#CC[N@H+]1CC[C@@](C)(NC(=O)c2cnc(COC)s2)C1 ZINC001046874118 935978775 /nfs/dbraw/zinc/97/87/75/935978775.db2.gz RBICDQLDXXBXRG-CQSZACIVSA-N 1 2 293.392 1.117 20 30 CDEDLO C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2cnc(COC)s2)C1 ZINC001046874118 935978778 /nfs/dbraw/zinc/97/87/78/935978778.db2.gz RBICDQLDXXBXRG-CQSZACIVSA-N 1 2 293.392 1.117 20 30 CDEDLO Cc1nc(N[C@@H]2CCN(C(=O)C#CC(C)C)[C@H]2C)cc[nH+]1 ZINC001122976822 936096287 /nfs/dbraw/zinc/09/62/87/936096287.db2.gz FDKXAUVSFRSCQG-GXTWGEPZSA-N 1 2 286.379 1.846 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096470608 936109424 /nfs/dbraw/zinc/10/94/24/936109424.db2.gz XOBMNOFIKWCJDY-CYBMUJFWSA-N 1 2 274.368 1.836 20 30 CDEDLO N#Cc1ccc2cc[nH+]c(N[C@H]3CCC(=O)NC3=O)c2c1 ZINC001156718426 938410025 /nfs/dbraw/zinc/41/00/25/938410025.db2.gz HNBRVLYVKIHODH-LBPRGKRZSA-N 1 2 280.287 1.324 20 30 CDEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1[nH+]ccc2ccc(C#N)cc21 ZINC001160174713 938772998 /nfs/dbraw/zinc/77/29/98/938772998.db2.gz KCBBVEGOXVJMLA-ZANVPECISA-N 1 2 282.303 1.754 20 30 CDEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1[nH+]ccc2[nH]cc(C#N)c21 ZINC001160176620 938774112 /nfs/dbraw/zinc/77/41/12/938774112.db2.gz YDHFOVIJHJREOY-CPCISQLKSA-N 1 2 271.280 1.083 20 30 CDEDLO C#CC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(=O)OC ZINC001161365829 938896248 /nfs/dbraw/zinc/89/62/48/938896248.db2.gz YDDHSZDZRXINRT-CQSZACIVSA-N 1 2 297.314 1.167 20 30 CDEDLO N#CCc1cc[nH+]c(NCc2cc3n(n2)CCCO3)c1 ZINC001163403423 939263518 /nfs/dbraw/zinc/26/35/18/939263518.db2.gz HDPYIAPLOVIWNN-UHFFFAOYSA-N 1 2 269.308 1.739 20 30 CDEDLO CCOC(=O)c1cnc2cc(N3CC[NH2+]C[C@H]3C#N)[nH]cc1-2 ZINC001164653006 939502241 /nfs/dbraw/zinc/50/22/41/939502241.db2.gz YOJHCPDUBSGIHH-SNVBAGLBSA-N 1 2 299.334 1.041 20 30 CDEDLO N#CCc1cc[nH+]c(N2C[C@@H]3OCC(F)(F)[C@@H]3C2)c1 ZINC001165345004 939549701 /nfs/dbraw/zinc/54/97/01/939549701.db2.gz UDFVUJJMMHIFGL-MNOVXSKESA-N 1 2 265.263 1.618 20 30 CDEDLO C=C[C@@](C)(CC)C(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001165921351 939585399 /nfs/dbraw/zinc/58/53/99/939585399.db2.gz IVYUVJBGPHLJHO-HNNXBMFYSA-N 1 2 294.399 1.830 20 30 CDEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCC[C@@H](n4cncn4)C3)c12 ZINC001166914647 939648929 /nfs/dbraw/zinc/64/89/29/939648929.db2.gz AQGATYPNBYLFSJ-GFCCVEGCSA-N 1 2 293.334 1.868 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c1 ZINC001203757799 939702656 /nfs/dbraw/zinc/70/26/56/939702656.db2.gz UEMQXIHGXSZZMN-OWCLPIDISA-N 1 2 272.348 1.530 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c1 ZINC001203757799 939702658 /nfs/dbraw/zinc/70/26/58/939702658.db2.gz UEMQXIHGXSZZMN-OWCLPIDISA-N 1 2 272.348 1.530 20 30 CDEDLO CCC1=C(OCCCN2CC[NH+](C)CC2)C(=O)[C@@H](C)O1 ZINC001206591415 940067275 /nfs/dbraw/zinc/06/72/75/940067275.db2.gz UIMDOFAQSWGKBY-GFCCVEGCSA-N 1 2 282.384 1.250 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC2CC2)C1 ZINC001206947278 940116757 /nfs/dbraw/zinc/11/67/57/940116757.db2.gz NAUXBDXRISXJEU-ZWNOBZJWSA-N 1 2 266.772 1.589 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C#CC2CC2)C1 ZINC001206947278 940116758 /nfs/dbraw/zinc/11/67/58/940116758.db2.gz NAUXBDXRISXJEU-ZWNOBZJWSA-N 1 2 266.772 1.589 20 30 CDEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](CC(=O)OCC)C2 ZINC001207416234 940191165 /nfs/dbraw/zinc/19/11/65/940191165.db2.gz MWLNWESXTUGCNB-ZFWWWQNUSA-N 1 2 283.368 1.376 20 30 CDEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](CC(=O)OCC)C2 ZINC001207416234 940191168 /nfs/dbraw/zinc/19/11/68/940191168.db2.gz MWLNWESXTUGCNB-ZFWWWQNUSA-N 1 2 283.368 1.376 20 30 CDEDLO C=C(C)CCC(=O)N1CCC[C@H]([NH2+]Cc2csnn2)C1 ZINC001208255483 940313211 /nfs/dbraw/zinc/31/32/11/940313211.db2.gz JNBLRMGHJOXUTI-LBPRGKRZSA-N 1 2 294.424 1.975 20 30 CDEDLO CCCC[N@H+](CC#N)C[C@@H]1CCCN(C(C)=O)C1 ZINC001208981762 940418207 /nfs/dbraw/zinc/41/82/07/940418207.db2.gz KZLKTYIADHHXQR-AWEZNQCLSA-N 1 2 251.374 1.871 20 30 CDEDLO CCCC[N@@H+](CC#N)C[C@@H]1CCCN(C(C)=O)C1 ZINC001208981762 940418209 /nfs/dbraw/zinc/41/82/09/940418209.db2.gz KZLKTYIADHHXQR-AWEZNQCLSA-N 1 2 251.374 1.871 20 30 CDEDLO C#CC[NH+]1CCN(C[C@@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001208996879 940420520 /nfs/dbraw/zinc/42/05/20/940420520.db2.gz GYFZPIBFLFNWSF-AWEZNQCLSA-N 1 2 293.411 1.247 20 30 CDEDLO N#Cc1cccc(N2CC[NH+](Cc3cnccn3)CC2)c1 ZINC001209789129 940643778 /nfs/dbraw/zinc/64/37/78/940643778.db2.gz VCWZAFDOJJFYSN-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](F)CCCCCC)[C@H](OC)C1 ZINC001213723234 940783882 /nfs/dbraw/zinc/78/38/82/940783882.db2.gz ALKVUPLGFAUMNM-RRFJBIMHSA-N 1 2 298.402 1.744 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)CCCCCC)[C@H](OC)C1 ZINC001213723234 940783883 /nfs/dbraw/zinc/78/38/83/940783883.db2.gz ALKVUPLGFAUMNM-RRFJBIMHSA-N 1 2 298.402 1.744 20 30 CDEDLO C#CCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001214529006 940827467 /nfs/dbraw/zinc/82/74/67/940827467.db2.gz IMNGFELMFOHMMB-DGCLKSJQSA-N 1 2 290.367 1.118 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)COCCC)[C@@H]2C1 ZINC001221415716 941533542 /nfs/dbraw/zinc/53/35/42/941533542.db2.gz GQAFEHQPKONVJY-CHWSQXEVSA-N 1 2 286.803 1.698 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)COCCC)[C@@H]2C1 ZINC001221415716 941533546 /nfs/dbraw/zinc/53/35/46/941533546.db2.gz GQAFEHQPKONVJY-CHWSQXEVSA-N 1 2 286.803 1.698 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4c(O)cccc4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226282621 941980103 /nfs/dbraw/zinc/98/01/03/941980103.db2.gz OPFKRNFZFLUYOB-PKBIGMILSA-N 1 2 298.342 1.932 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4c(O)cccc4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226282621 941980106 /nfs/dbraw/zinc/98/01/06/941980106.db2.gz OPFKRNFZFLUYOB-PKBIGMILSA-N 1 2 298.342 1.932 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(F)c(C#N)c(F)c1 ZINC001362085035 970865687 /nfs/dbraw/zinc/86/56/87/970865687.db2.gz GUVMJFGXFPQCFY-SECBINFHSA-N 1 2 290.273 1.851 20 30 CDEDLO C[N@@H+]1CCO[C@@H](COc2cc(C#N)ccc2F)C1 ZINC001227057670 942122647 /nfs/dbraw/zinc/12/26/47/942122647.db2.gz FHWXSIDUWFLWSZ-LLVKDONJSA-N 1 2 250.273 1.407 20 30 CDEDLO C[N@H+]1CCO[C@@H](COc2cc(C#N)ccc2F)C1 ZINC001227057670 942122649 /nfs/dbraw/zinc/12/26/49/942122649.db2.gz FHWXSIDUWFLWSZ-LLVKDONJSA-N 1 2 250.273 1.407 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCC1CC1 ZINC001231271671 942841585 /nfs/dbraw/zinc/84/15/85/942841585.db2.gz KNDUYMYAALNZMD-AWEZNQCLSA-N 1 2 293.411 1.012 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCC1CC1 ZINC001231271671 942841589 /nfs/dbraw/zinc/84/15/89/942841589.db2.gz KNDUYMYAALNZMD-AWEZNQCLSA-N 1 2 293.411 1.012 20 30 CDEDLO C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232674076 943356004 /nfs/dbraw/zinc/35/60/04/943356004.db2.gz RJLRESRXRZXUCT-DGCLKSJQSA-N 1 2 260.337 1.857 20 30 CDEDLO C[C@@H]1CC[C@@H](CO)C[N@H+]1Cc1cc(C#N)ccc1O ZINC001232674076 943356006 /nfs/dbraw/zinc/35/60/06/943356006.db2.gz RJLRESRXRZXUCT-DGCLKSJQSA-N 1 2 260.337 1.857 20 30 CDEDLO C=CCN1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232676252 943356630 /nfs/dbraw/zinc/35/66/30/943356630.db2.gz HCLWPTNOVJFGKP-UHFFFAOYSA-N 1 2 257.337 1.567 20 30 CDEDLO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232679867 943361849 /nfs/dbraw/zinc/36/18/49/943361849.db2.gz UJLWQSNDIWGTPD-CQSZACIVSA-N 1 2 273.336 1.364 20 30 CDEDLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232679867 943361857 /nfs/dbraw/zinc/36/18/57/943361857.db2.gz UJLWQSNDIWGTPD-CQSZACIVSA-N 1 2 273.336 1.364 20 30 CDEDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232680429 943362355 /nfs/dbraw/zinc/36/23/55/943362355.db2.gz DGUNUWDMSWCKET-ZLDLUXBVSA-N 1 2 286.331 1.790 20 30 CDEDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1cc(C#N)ccc1O ZINC001232680429 943362362 /nfs/dbraw/zinc/36/23/62/943362362.db2.gz DGUNUWDMSWCKET-ZLDLUXBVSA-N 1 2 286.331 1.790 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)s1)C1CCS(=O)(=O)CC1 ZINC001232844910 943418933 /nfs/dbraw/zinc/41/89/33/943418933.db2.gz BSGYIEBHKLQBKD-UHFFFAOYSA-N 1 2 284.406 1.629 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)s1)C1CCS(=O)(=O)CC1 ZINC001232844910 943418935 /nfs/dbraw/zinc/41/89/35/943418935.db2.gz BSGYIEBHKLQBKD-UHFFFAOYSA-N 1 2 284.406 1.629 20 30 CDEDLO CCN1C(=O)CCC12CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001233043151 943473295 /nfs/dbraw/zinc/47/32/95/943473295.db2.gz FRYLTXHFUGFJLY-UHFFFAOYSA-N 1 2 286.379 1.863 20 30 CDEDLO COc1cc(O[C@H]2CC[N@H+](Cc3[nH]ccc3C#N)C2)ccn1 ZINC001233048642 943476541 /nfs/dbraw/zinc/47/65/41/943476541.db2.gz IOHMZNWOHMZNHJ-AWEZNQCLSA-N 1 2 298.346 1.943 20 30 CDEDLO COc1cc(O[C@H]2CC[N@@H+](Cc3[nH]ccc3C#N)C2)ccn1 ZINC001233048642 943476545 /nfs/dbraw/zinc/47/65/45/943476545.db2.gz IOHMZNWOHMZNHJ-AWEZNQCLSA-N 1 2 298.346 1.943 20 30 CDEDLO C[N@@H+](Cc1cccc(C#N)n1)Cc1cccc(=O)[nH]1 ZINC001474721282 971038480 /nfs/dbraw/zinc/03/84/80/971038480.db2.gz WDLSQQRXNHWKGN-UHFFFAOYSA-N 1 2 254.293 1.686 20 30 CDEDLO C[N@H+](Cc1cccc(C#N)n1)Cc1cccc(=O)[nH]1 ZINC001474721282 971038487 /nfs/dbraw/zinc/03/84/87/971038487.db2.gz WDLSQQRXNHWKGN-UHFFFAOYSA-N 1 2 254.293 1.686 20 30 CDEDLO C[N@H+]1CCC12CN(CC(=O)c1ccc(C#N)cc1)C2 ZINC001278075568 944712672 /nfs/dbraw/zinc/71/26/72/944712672.db2.gz QHGICAGAJMVNDF-UHFFFAOYSA-N 1 2 255.321 1.131 20 30 CDEDLO C[N@@H+]1CCC12CN(CC(=O)c1ccc(C#N)cc1)C2 ZINC001278075568 944712663 /nfs/dbraw/zinc/71/26/63/944712663.db2.gz QHGICAGAJMVNDF-UHFFFAOYSA-N 1 2 255.321 1.131 20 30 CDEDLO COCCOC1C[NH+](Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237471956 944800472 /nfs/dbraw/zinc/80/04/72/944800472.db2.gz LESNHZAXWWZISL-UHFFFAOYSA-N 1 2 299.374 1.897 20 30 CDEDLO CCOC(=O)CC[N@H+](CC(=O)OCC)[C@H]1CC[C@@H](C#N)C1 ZINC001254669842 947585566 /nfs/dbraw/zinc/58/55/66/947585566.db2.gz WCLGTYQCIZLBMG-OLZOCXBDSA-N 1 2 296.367 1.497 20 30 CDEDLO CCOC(=O)CC[N@@H+](CC(=O)OCC)[C@H]1CC[C@@H](C#N)C1 ZINC001254669842 947585576 /nfs/dbraw/zinc/58/55/76/947585576.db2.gz WCLGTYQCIZLBMG-OLZOCXBDSA-N 1 2 296.367 1.497 20 30 CDEDLO CC[C@@H](CC#N)[NH2+][C@@H](CO)c1ccc(C(=O)OC)cc1 ZINC001255165056 947759579 /nfs/dbraw/zinc/75/95/79/947759579.db2.gz SWTINPIUOVTRQD-KBPBESRZSA-N 1 2 276.336 1.788 20 30 CDEDLO CC[C@H](CC#N)N1CC[NH+](Cc2ccccn2)CC1 ZINC001255167982 947761605 /nfs/dbraw/zinc/76/16/05/947761605.db2.gz LMEOUUQZRSFVHC-OAHLLOKOSA-N 1 2 258.369 1.891 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C1 ZINC001255174117 947763546 /nfs/dbraw/zinc/76/35/46/947763546.db2.gz QUBAHZDFEUMCHH-YNEHKIRRSA-N 1 2 297.399 1.639 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C1 ZINC001255174117 947763553 /nfs/dbraw/zinc/76/35/53/947763553.db2.gz QUBAHZDFEUMCHH-YNEHKIRRSA-N 1 2 297.399 1.639 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CCc2nnc(Cn3cccn3)n2CC1 ZINC001255172069 947763815 /nfs/dbraw/zinc/76/38/15/947763815.db2.gz INKUBMCIRNBRQC-CYBMUJFWSA-N 1 2 299.382 1.073 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CCc2nnc(Cn3cccn3)n2CC1 ZINC001255172069 947763821 /nfs/dbraw/zinc/76/38/21/947763821.db2.gz INKUBMCIRNBRQC-CYBMUJFWSA-N 1 2 299.382 1.073 20 30 CDEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@@H](OCC(=O)N(C)CC)C1 ZINC001255177819 947767656 /nfs/dbraw/zinc/76/76/56/947767656.db2.gz XCEJFKCOOOCEAH-ZIAGYGMSSA-N 1 2 281.400 1.638 20 30 CDEDLO CC[C@H](CC#N)[N@H+]1CCC[C@@H](OCC(=O)N(C)CC)C1 ZINC001255177819 947767661 /nfs/dbraw/zinc/76/76/61/947767661.db2.gz XCEJFKCOOOCEAH-ZIAGYGMSSA-N 1 2 281.400 1.638 20 30 CDEDLO C=C[C@H]1C[C@@]1([NH2+]C1CCC(C(=O)OC)CC1)C(=O)OCC ZINC001257857704 948642169 /nfs/dbraw/zinc/64/21/69/948642169.db2.gz WXJSTFJWSFVBJO-UWTNAYQSSA-N 1 2 295.379 1.816 20 30 CDEDLO CCOC(=O)CCC[C@@H](C)[NH2+][C@@H](CS)C(=O)OC ZINC001258103890 948702745 /nfs/dbraw/zinc/70/27/45/948702745.db2.gz CDAAVTAGHJDXST-ZJUUUORDSA-N 1 2 277.386 1.169 20 30 CDEDLO N#Cc1ccc2cc(C[NH+]3CCN(C4COC4)CC3)[nH]c2c1 ZINC001249426609 949589854 /nfs/dbraw/zinc/58/98/54/949589854.db2.gz ZDULOUJLCVBBLD-UHFFFAOYSA-N 1 2 296.374 1.556 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cnc(Cl)c(OC)c2)CC1 ZINC001249931684 949895475 /nfs/dbraw/zinc/89/54/75/949895475.db2.gz VXUIQPBWYKZKAN-UHFFFAOYSA-N 1 2 279.771 1.494 20 30 CDEDLO C=CCOC[C@@H](O)CNc1ccc2[nH+]cn(C)c2c1 ZINC001252475495 951330412 /nfs/dbraw/zinc/33/04/12/951330412.db2.gz LBTPQGZWWKSGGB-LBPRGKRZSA-N 1 2 261.325 1.549 20 30 CDEDLO C=C[C@@](C)(O)C[NH2+][C@H](CC1CCC1)C(=O)OCC ZINC001252577851 951469317 /nfs/dbraw/zinc/46/93/17/951469317.db2.gz NDYIBGSYNVFAMY-TZMCWYRMSA-N 1 2 255.358 1.635 20 30 CDEDLO C=C[C@@](C)(O)C[NH2+][C@@H](CCSC)C(=O)OC(C)C ZINC001252580028 951475025 /nfs/dbraw/zinc/47/50/25/951475025.db2.gz PIRUFEQYVPSYFA-WCQYABFASA-N 1 2 275.414 1.586 20 30 CDEDLO Cn1cc[nH+]c1NN=Cc1ccc([S@](C)=O)cc1 ZINC001324431217 953387228 /nfs/dbraw/zinc/38/72/28/953387228.db2.gz IDQYSXJAMJJROR-SFHVURJKSA-N 1 2 262.338 1.604 20 30 CDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(OCC#N)cc1 ZINC001325890012 954127003 /nfs/dbraw/zinc/12/70/03/954127003.db2.gz DFQFDZAOFQMRCI-AWEZNQCLSA-N 1 2 288.351 1.207 20 30 CDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(OCC#N)cc1 ZINC001325890012 954127010 /nfs/dbraw/zinc/12/70/10/954127010.db2.gz DFQFDZAOFQMRCI-AWEZNQCLSA-N 1 2 288.351 1.207 20 30 CDEDLO N#Cc1cccc(NC(=O)CC[NH2+]CC(F)(F)CO)c1 ZINC001327002687 954654994 /nfs/dbraw/zinc/65/49/94/954654994.db2.gz KHHCIVGMOUIRQC-UHFFFAOYSA-N 1 2 283.278 1.104 20 30 CDEDLO CCn1ncc(C[NH2+]Cc2cccc(OCC#N)c2)n1 ZINC001364579966 954839332 /nfs/dbraw/zinc/83/93/32/954839332.db2.gz UYPPCTZEDMFAHH-UHFFFAOYSA-N 1 2 271.324 1.490 20 30 CDEDLO CS(=O)(=O)c1ccc(C[NH2+]CC2(C#N)CC2)s1 ZINC001364959249 955425561 /nfs/dbraw/zinc/42/55/61/955425561.db2.gz CNHYTESUZVFKRU-UHFFFAOYSA-N 1 2 270.379 1.545 20 30 CDEDLO C[C@H](C#N)C[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC001308548047 956542386 /nfs/dbraw/zinc/54/23/86/956542386.db2.gz KVABOKLQNWFKHE-SNVBAGLBSA-N 1 2 252.339 1.339 20 30 CDEDLO C[C@@H](C#N)C(=O)NC1(C)CC[NH+](Cc2nccn2C)CC1 ZINC001423507920 956821271 /nfs/dbraw/zinc/82/12/71/956821271.db2.gz QYXFZNWTLVVHEY-LBPRGKRZSA-N 1 2 289.383 1.050 20 30 CDEDLO C[C@@H](C#N)C(=O)NCc1ccc(C[NH2+]Cc2cnon2)cc1 ZINC001367198572 957841885 /nfs/dbraw/zinc/84/18/85/957841885.db2.gz AGQJJNYPHQCKQO-NSHDSACASA-N 1 2 299.334 1.135 20 30 CDEDLO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)C[C@H](O)CC#N ZINC001333035373 958032455 /nfs/dbraw/zinc/03/24/55/958032455.db2.gz APAGSKWNOSVFDJ-LLVKDONJSA-N 1 2 250.346 1.414 20 30 CDEDLO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)C[C@H](O)CC#N ZINC001333035373 958032470 /nfs/dbraw/zinc/03/24/70/958032470.db2.gz APAGSKWNOSVFDJ-LLVKDONJSA-N 1 2 250.346 1.414 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCn1cccn1 ZINC001367507868 958075140 /nfs/dbraw/zinc/07/51/40/958075140.db2.gz RXPCVONPJWWFPS-UHFFFAOYSA-N 1 2 284.791 1.416 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCn1cccn1 ZINC001367507868 958075153 /nfs/dbraw/zinc/07/51/53/958075153.db2.gz RXPCVONPJWWFPS-UHFFFAOYSA-N 1 2 284.791 1.416 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)Cc2c[nH]cn2)C1 ZINC001368174777 958684072 /nfs/dbraw/zinc/68/40/72/958684072.db2.gz NZVIRMPZVJXBAT-ZDUSSCGKSA-N 1 2 282.775 1.285 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)Cc2c[nH]cn2)C1 ZINC001368174777 958684079 /nfs/dbraw/zinc/68/40/79/958684079.db2.gz NZVIRMPZVJXBAT-ZDUSSCGKSA-N 1 2 282.775 1.285 20 30 CDEDLO N#CC1(c2ccccn2)CC[NH+](Cn2cnnc2)CC1 ZINC001321367217 959747754 /nfs/dbraw/zinc/74/77/54/959747754.db2.gz QUALLOVEVWHFJB-UHFFFAOYSA-N 1 2 268.324 1.188 20 30 CDEDLO C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001436893266 962463446 /nfs/dbraw/zinc/46/34/46/962463446.db2.gz FPUXMRMXVPBLSM-FXQIFTODSA-N 1 2 288.672 1.876 20 30 CDEDLO C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001436893266 962463470 /nfs/dbraw/zinc/46/34/70/962463470.db2.gz FPUXMRMXVPBLSM-FXQIFTODSA-N 1 2 288.672 1.876 20 30 CDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)CC2CC2)C1 ZINC001438106151 963323656 /nfs/dbraw/zinc/32/36/56/963323656.db2.gz NZTUTDFSHUBLBA-UHFFFAOYSA-N 1 2 283.375 1.906 20 30 CDEDLO C=CCN(C)c1nnc(Cc2[nH+]ccn2C)n1CC(C)C ZINC001343042949 963892987 /nfs/dbraw/zinc/89/29/87/963892987.db2.gz UXLYRUPIZLUWDW-UHFFFAOYSA-N 1 2 288.399 1.881 20 30 CDEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(C)=O ZINC001440732174 964149965 /nfs/dbraw/zinc/14/99/65/964149965.db2.gz SIXSSAMLHDTNRZ-LLVKDONJSA-N 1 2 275.190 1.838 20 30 CDEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(C)=O ZINC001440732174 964149967 /nfs/dbraw/zinc/14/99/67/964149967.db2.gz SIXSSAMLHDTNRZ-LLVKDONJSA-N 1 2 275.190 1.838 20 30 CDEDLO C=C(CC)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001345535959 964736268 /nfs/dbraw/zinc/73/62/68/964736268.db2.gz GUUHIEGGDFKQLW-MRXNPFEDSA-N 1 2 288.391 1.970 20 30 CDEDLO C=C(CC)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001345535959 964736276 /nfs/dbraw/zinc/73/62/76/964736276.db2.gz GUUHIEGGDFKQLW-MRXNPFEDSA-N 1 2 288.391 1.970 20 30 CDEDLO C=C[C@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccccc1 ZINC001347022359 965335263 /nfs/dbraw/zinc/33/52/63/965335263.db2.gz YBOHRDMNPNKWTA-ZFWWWQNUSA-N 1 2 267.332 1.894 20 30 CDEDLO CCc1[nH]c(CNS(=O)(=O)c2ccc(C#N)cc2)c[nH+]1 ZINC001464723304 969810154 /nfs/dbraw/zinc/81/01/54/969810154.db2.gz LMYKLRDBJKFMOD-UHFFFAOYSA-N 1 2 290.348 1.322 20 30 CDEDLO CCc1[nH]cc(CNS(=O)(=O)c2ccc(C#N)cc2)[nH+]1 ZINC001464723304 969810156 /nfs/dbraw/zinc/81/01/56/969810156.db2.gz LMYKLRDBJKFMOD-UHFFFAOYSA-N 1 2 290.348 1.322 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(CC)n[nH]1 ZINC001498232131 973766851 /nfs/dbraw/zinc/76/68/51/973766851.db2.gz KSNOXVZJFWOECL-SNVBAGLBSA-N 1 2 284.791 1.775 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(CC)n[nH]1 ZINC001498232131 973766859 /nfs/dbraw/zinc/76/68/59/973766859.db2.gz KSNOXVZJFWOECL-SNVBAGLBSA-N 1 2 284.791 1.775 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](O)C(C)C ZINC001498268246 973799580 /nfs/dbraw/zinc/79/95/80/973799580.db2.gz DDPFUSALGMBXAT-GHMZBOCLSA-N 1 2 262.781 1.192 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](O)C(C)C ZINC001498268246 973799585 /nfs/dbraw/zinc/79/95/85/973799585.db2.gz DDPFUSALGMBXAT-GHMZBOCLSA-N 1 2 262.781 1.192 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1[nH]c(C)nc1C ZINC001377337402 974978094 /nfs/dbraw/zinc/97/80/94/974978094.db2.gz QEJXFLTXMUXABD-UHFFFAOYSA-N 1 2 284.791 1.831 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1[nH]c(C)nc1C ZINC001377337402 974978101 /nfs/dbraw/zinc/97/81/01/974978101.db2.gz QEJXFLTXMUXABD-UHFFFAOYSA-N 1 2 284.791 1.831 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 ZINC001505893909 975026943 /nfs/dbraw/zinc/02/69/43/975026943.db2.gz HWMQKSVOHATYBA-JTQLQIEISA-N 1 2 280.759 1.689 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 ZINC001505893909 975026948 /nfs/dbraw/zinc/02/69/48/975026948.db2.gz HWMQKSVOHATYBA-JTQLQIEISA-N 1 2 280.759 1.689 20 30 CDEDLO Cc1csc(C[NH+]2CC(CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001377959942 975185057 /nfs/dbraw/zinc/18/50/57/975185057.db2.gz KJMCAIHAKPTFRG-VIFPVBQESA-N 1 2 278.381 1.159 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CCc2ccon2)C1 ZINC001506637215 975193848 /nfs/dbraw/zinc/19/38/48/975193848.db2.gz VMERBLMZTVAYMK-LLVKDONJSA-N 1 2 297.786 1.796 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccn(CC)n1 ZINC001381590608 976934785 /nfs/dbraw/zinc/93/47/85/976934785.db2.gz QOBPKXFOLKSTMX-LLVKDONJSA-N 1 2 284.791 1.706 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccn(CC)n1 ZINC001381590608 976934797 /nfs/dbraw/zinc/93/47/97/976934797.db2.gz QOBPKXFOLKSTMX-LLVKDONJSA-N 1 2 284.791 1.706 20 30 CDEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001132577289 1163382936 /nfs/dbraw/zinc/38/29/36/1163382936.db2.gz RWJJIQQLXCHIKQ-MNOVXSKESA-N 1 2 280.372 1.296 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001132668055 1163432751 /nfs/dbraw/zinc/43/27/51/1163432751.db2.gz ZSHQAFSBFYTWKM-MNOVXSKESA-N 1 2 280.372 1.747 20 30 CDEDLO C=CCCCC(=O)NCC[NH2+]Cc1nc(CC(C)C)no1 ZINC001133154950 1163585951 /nfs/dbraw/zinc/58/59/51/1163585951.db2.gz YPCCFNJFBFBYPP-UHFFFAOYSA-N 1 2 294.399 1.830 20 30 CDEDLO C=C1CCC(C(=O)NCC[NH2+][C@H](C)c2nc(C)no2)CC1 ZINC001133375890 1163668277 /nfs/dbraw/zinc/66/82/77/1163668277.db2.gz NDEMFYYRSJBYGN-LLVKDONJSA-N 1 2 292.383 1.891 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[NH2+]Cc2nc(CCC)no2)C1 ZINC001133570369 1163790190 /nfs/dbraw/zinc/79/01/90/1163790190.db2.gz YKTXQCRNKZDTFU-UHFFFAOYSA-N 1 2 292.383 1.584 20 30 CDEDLO C=C1CC(C)(C(=O)NCC[NH2+][C@@H](C)c2nc(CC)no2)C1 ZINC001133571275 1163791565 /nfs/dbraw/zinc/79/15/65/1163791565.db2.gz LYUOWNOSGJCKGT-NSHDSACASA-N 1 2 292.383 1.755 20 30 CDEDLO CC[C@@H](OCCN1CC[NH2+]C[C@H]1C#N)c1ccccc1 ZINC001577185244 1171617149 /nfs/dbraw/zinc/61/71/49/1171617149.db2.gz VHNYKKSCRNWBFZ-HZPDHXFCSA-N 1 2 273.380 1.952 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000589272620 342502901 /nfs/dbraw/zinc/50/29/01/342502901.db2.gz BXPZGOLJFBXOTC-WOPDTQHZSA-N 1 2 253.342 1.603 20 30 CDEDLO C=C[C@H](C(=O)OC)[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000589272620 342502902 /nfs/dbraw/zinc/50/29/02/342502902.db2.gz BXPZGOLJFBXOTC-WOPDTQHZSA-N 1 2 253.342 1.603 20 30 CDEDLO CCc1nc(C#N)cc(NCCCn2cc[nH+]c2)n1 ZINC000308168378 342508791 /nfs/dbraw/zinc/50/87/91/342508791.db2.gz MWHUJJWMYNJUMM-UHFFFAOYSA-N 1 2 256.313 1.609 20 30 CDEDLO N#Cc1ccc(CNC(=O)N2CCn3c[nH+]cc3C2)c(F)c1 ZINC000589637939 342510577 /nfs/dbraw/zinc/51/05/77/342510577.db2.gz JRBSVBNNQGVFLT-UHFFFAOYSA-N 1 2 299.309 1.619 20 30 CDEDLO C[N@H+](CC[C@H]1CCS(=O)(=O)C1)CC(C)(C)C#N ZINC000590124118 342522281 /nfs/dbraw/zinc/52/22/81/342522281.db2.gz PZRISBVQZIKEIV-NSHDSACASA-N 1 2 258.387 1.293 20 30 CDEDLO C[N@@H+](CC[C@H]1CCS(=O)(=O)C1)CC(C)(C)C#N ZINC000590124118 342522282 /nfs/dbraw/zinc/52/22/82/342522282.db2.gz PZRISBVQZIKEIV-NSHDSACASA-N 1 2 258.387 1.293 20 30 CDEDLO C[C@@H](NC(=O)c1cccc(CC#N)c1)c1[nH]cc[nH+]1 ZINC000590392786 342542155 /nfs/dbraw/zinc/54/21/55/342542155.db2.gz GMYOTGXABULBJB-SNVBAGLBSA-N 1 2 254.293 1.967 20 30 CDEDLO COC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1nncs1 ZINC000048894750 342568580 /nfs/dbraw/zinc/56/85/80/342568580.db2.gz WYYKYMNDYDXECK-SECBINFHSA-N 1 2 298.368 1.544 20 30 CDEDLO COC(=O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1nncs1 ZINC000048894750 342568581 /nfs/dbraw/zinc/56/85/81/342568581.db2.gz WYYKYMNDYDXECK-SECBINFHSA-N 1 2 298.368 1.544 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)C[C@H](C)O1 ZINC000565155154 365598482 /nfs/dbraw/zinc/59/84/82/365598482.db2.gz CWRMMCXBCKARII-FZMZJTMJSA-N 1 2 261.325 1.189 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)C[C@H](C)O1 ZINC000565155154 365598486 /nfs/dbraw/zinc/59/84/86/365598486.db2.gz CWRMMCXBCKARII-FZMZJTMJSA-N 1 2 261.325 1.189 20 30 CDEDLO CCC1(C)CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000329693805 361814841 /nfs/dbraw/zinc/81/48/41/361814841.db2.gz FEQPNDIYBNYLPY-NSHDSACASA-N 1 2 262.357 1.844 20 30 CDEDLO CCC1(C)CN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000329693805 361814845 /nfs/dbraw/zinc/81/48/45/361814845.db2.gz FEQPNDIYBNYLPY-NSHDSACASA-N 1 2 262.357 1.844 20 30 CDEDLO C=CCNC(=O)CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000047265435 342097908 /nfs/dbraw/zinc/09/79/08/342097908.db2.gz UZIOIHWLKGHNRH-AWEZNQCLSA-N 1 2 288.395 1.062 20 30 CDEDLO CCCCCNC(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000591020165 342614262 /nfs/dbraw/zinc/61/42/62/342614262.db2.gz MLTLWBFNNKUGIO-OAHLLOKOSA-N 1 2 294.443 1.459 20 30 CDEDLO CC(C)(C#N)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000611688408 346851205 /nfs/dbraw/zinc/85/12/05/346851205.db2.gz IHYSPXYQLDXKRE-CQSZACIVSA-N 1 2 286.379 1.712 20 30 CDEDLO CC(C)(C#N)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000611688408 346851211 /nfs/dbraw/zinc/85/12/11/346851211.db2.gz IHYSPXYQLDXKRE-CQSZACIVSA-N 1 2 286.379 1.712 20 30 CDEDLO Cc1cc(N[C@@H]2CCc3nc(C)ncc3C2)c(C#N)c[nH+]1 ZINC000591818676 342647310 /nfs/dbraw/zinc/64/73/10/342647310.db2.gz VIPGIXWJRDEABR-CQSZACIVSA-N 1 2 279.347 1.751 20 30 CDEDLO Cn1c(C[N@@H+]2CC[C@](O)(CC#N)C2)nc2ccccc21 ZINC000592152562 342669527 /nfs/dbraw/zinc/66/95/27/342669527.db2.gz ZWNBDBILJKLEDL-OAHLLOKOSA-N 1 2 270.336 1.424 20 30 CDEDLO Cn1c(C[N@H+]2CC[C@](O)(CC#N)C2)nc2ccccc21 ZINC000592152562 342669528 /nfs/dbraw/zinc/66/95/28/342669528.db2.gz ZWNBDBILJKLEDL-OAHLLOKOSA-N 1 2 270.336 1.424 20 30 CDEDLO CCc1oc(C[N@@H+]2CC[C@](O)(CC#N)C2)cc1C(=O)OC ZINC000592522035 342701933 /nfs/dbraw/zinc/70/19/33/342701933.db2.gz GYVAGVKMGRZBGZ-OAHLLOKOSA-N 1 2 292.335 1.479 20 30 CDEDLO CCc1oc(C[N@H+]2CC[C@](O)(CC#N)C2)cc1C(=O)OC ZINC000592522035 342701934 /nfs/dbraw/zinc/70/19/34/342701934.db2.gz GYVAGVKMGRZBGZ-OAHLLOKOSA-N 1 2 292.335 1.479 20 30 CDEDLO Cc1cc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)n(CCC#N)n1 ZINC000592946627 342748991 /nfs/dbraw/zinc/74/89/91/342748991.db2.gz SNVLWPOFYPEVMG-LBPRGKRZSA-N 1 2 298.350 1.503 20 30 CDEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@H](F)C1 ZINC000625458257 342170318 /nfs/dbraw/zinc/17/03/18/342170318.db2.gz VKXMIEHZYQMZBR-LBPRGKRZSA-N 1 2 286.306 1.330 20 30 CDEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CC[C@H](F)C1 ZINC000625458257 342170319 /nfs/dbraw/zinc/17/03/19/342170319.db2.gz VKXMIEHZYQMZBR-LBPRGKRZSA-N 1 2 286.306 1.330 20 30 CDEDLO Cc1cccn2cc(CC(=O)N3CC[C@](O)(CC#N)C3)[nH+]c12 ZINC000592840214 342733749 /nfs/dbraw/zinc/73/37/49/342733749.db2.gz OCMJPIIZZFJCOM-MRXNPFEDSA-N 1 2 298.346 1.062 20 30 CDEDLO N#Cc1ccncc1N1CC[NH+](CCOCC(F)F)CC1 ZINC000573754502 361930439 /nfs/dbraw/zinc/93/04/39/361930439.db2.gz QGAWEBXNXZYZKJ-UHFFFAOYSA-N 1 2 296.321 1.357 20 30 CDEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000594009404 342863215 /nfs/dbraw/zinc/86/32/15/342863215.db2.gz JGKCGYMTABBVAP-TZMCWYRMSA-N 1 2 287.363 1.908 20 30 CDEDLO Cc1ccc2[nH+]c(Cn3cc(CCC#N)nn3)cn2c1 ZINC000594647137 342930864 /nfs/dbraw/zinc/93/08/64/342930864.db2.gz BGBHNNDEBLMBKU-UHFFFAOYSA-N 1 2 266.308 1.739 20 30 CDEDLO CCc1nnc(SC[C@H](O)C[N@H+](C)CCC#N)s1 ZINC000594732025 342949190 /nfs/dbraw/zinc/94/91/90/342949190.db2.gz JMUFCXNGXCJQQQ-SECBINFHSA-N 1 2 286.426 1.399 20 30 CDEDLO CCc1nnc(SC[C@H](O)C[N@@H+](C)CCC#N)s1 ZINC000594732025 342949192 /nfs/dbraw/zinc/94/91/92/342949192.db2.gz JMUFCXNGXCJQQQ-SECBINFHSA-N 1 2 286.426 1.399 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000076185597 342320056 /nfs/dbraw/zinc/32/00/56/342320056.db2.gz OOJKHZLINIOVIZ-ZDUSSCGKSA-N 1 2 272.323 1.571 20 30 CDEDLO CCS(=O)(=O)C1C[NH+](CCCC(C)(C)C#N)C1 ZINC000595518560 343074744 /nfs/dbraw/zinc/07/47/44/343074744.db2.gz IGZDLSVMQVCZAS-UHFFFAOYSA-N 1 2 258.387 1.435 20 30 CDEDLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595616102 343110210 /nfs/dbraw/zinc/11/02/10/343110210.db2.gz PMTFBGZTJNUOIO-MNOVXSKESA-N 1 2 289.387 1.037 20 30 CDEDLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595616102 343110212 /nfs/dbraw/zinc/11/02/12/343110212.db2.gz PMTFBGZTJNUOIO-MNOVXSKESA-N 1 2 289.387 1.037 20 30 CDEDLO CN(Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)CCC#N ZINC000595627056 343112877 /nfs/dbraw/zinc/11/28/77/343112877.db2.gz WDHYIXZPEFLEHA-UHFFFAOYSA-N 1 2 263.345 1.881 20 30 CDEDLO CN(Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)CCC#N ZINC000595627056 343112879 /nfs/dbraw/zinc/11/28/79/343112879.db2.gz WDHYIXZPEFLEHA-UHFFFAOYSA-N 1 2 263.345 1.881 20 30 CDEDLO C[NH+]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000126688787 187256311 /nfs/dbraw/zinc/25/63/11/187256311.db2.gz QMXGKJVCIIQGTL-UHFFFAOYSA-N 1 2 299.783 1.148 20 30 CDEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)cs2)[C@@H](C(N)=O)C1 ZINC000249973374 365785294 /nfs/dbraw/zinc/78/52/94/365785294.db2.gz KQIJYSHIQKHIKU-BXKDBHETSA-N 1 2 263.366 1.706 20 30 CDEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)cs2)[C@@H](C(N)=O)C1 ZINC000249973374 365785299 /nfs/dbraw/zinc/78/52/99/365785299.db2.gz KQIJYSHIQKHIKU-BXKDBHETSA-N 1 2 263.366 1.706 20 30 CDEDLO C=CCC1(C(=O)N2CCC[N@@H+](CC(=O)NC)CC2)CCC1 ZINC000365073015 343664136 /nfs/dbraw/zinc/66/41/36/343664136.db2.gz POWDSOOKFVQAFE-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO C=CCC1(C(=O)N2CCC[N@H+](CC(=O)NC)CC2)CCC1 ZINC000365073015 343664138 /nfs/dbraw/zinc/66/41/38/343664138.db2.gz POWDSOOKFVQAFE-UHFFFAOYSA-N 1 2 293.411 1.013 20 30 CDEDLO CN(C)[C@H](C(=O)N1CCC[C@H](CC#N)C1)c1c[nH+]cn1C ZINC000597902957 343665900 /nfs/dbraw/zinc/66/59/00/343665900.db2.gz FSEZSTHOOHIDBY-OCCSQVGLSA-N 1 2 289.383 1.175 20 30 CDEDLO Cc1ccnc([C@H](C)Nc2cc(C)[nH+]cc2C#N)n1 ZINC000598641345 343854394 /nfs/dbraw/zinc/85/43/94/343854394.db2.gz RRAICAUKTLKRBZ-NSHDSACASA-N 1 2 253.309 1.955 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000598628600 343848686 /nfs/dbraw/zinc/84/86/86/343848686.db2.gz QBYGOCDGOBTFLM-MNOVXSKESA-N 1 2 294.317 1.940 20 30 CDEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000598628600 343848688 /nfs/dbraw/zinc/84/86/88/343848688.db2.gz QBYGOCDGOBTFLM-MNOVXSKESA-N 1 2 294.317 1.940 20 30 CDEDLO CCOCc1nc([C@H](C)[NH2+]C[C@@H](O)CC(C)(C)C#N)no1 ZINC000598727113 343886327 /nfs/dbraw/zinc/88/63/27/343886327.db2.gz CLLVHGKBXMAKOA-QWRGUYRKSA-N 1 2 296.371 1.557 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CC1(C#N)CCCCC1 ZINC000598836142 343914572 /nfs/dbraw/zinc/91/45/72/343914572.db2.gz BDJMRUDPEQUDTJ-AWEZNQCLSA-N 1 2 276.384 1.811 20 30 CDEDLO N#CC1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CCCCC1 ZINC000598949988 343933665 /nfs/dbraw/zinc/93/36/65/343933665.db2.gz YXUPMCQCBJPBPE-GFCCVEGCSA-N 1 2 272.352 1.788 20 30 CDEDLO CN(C[C@@H]1CCCO1)C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330162096 529949725 /nfs/dbraw/zinc/94/97/25/529949725.db2.gz ADDXRRBFHIWTMX-RYUDHWBXSA-N 1 2 278.356 1.223 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCOC2(CCC2)C1 ZINC000527299042 362307253 /nfs/dbraw/zinc/30/72/53/362307253.db2.gz APOIRUDAACXTMJ-LBPRGKRZSA-N 1 2 277.368 1.192 20 30 CDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCOC2(CCC2)C1 ZINC000527299042 362307257 /nfs/dbraw/zinc/30/72/57/362307257.db2.gz APOIRUDAACXTMJ-LBPRGKRZSA-N 1 2 277.368 1.192 20 30 CDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCCNc1cccc[nH+]1 ZINC000569680020 362308334 /nfs/dbraw/zinc/30/83/34/362308334.db2.gz HUZSEHPDOWTVGF-OLZOCXBDSA-N 1 2 290.367 1.526 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C)CCCOc1ccccc1 ZINC000602859731 344616144 /nfs/dbraw/zinc/61/61/44/344616144.db2.gz AILCDRFSESEZPQ-CQSZACIVSA-N 1 2 289.379 1.806 20 30 CDEDLO CCOCc1ccc(CNC(=O)C[NH2+][C@H](C)CC#N)cc1 ZINC000602860423 344616248 /nfs/dbraw/zinc/61/62/48/344616248.db2.gz DHBABVYABUJWAP-CYBMUJFWSA-N 1 2 289.379 1.731 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C ZINC000602861281 344616584 /nfs/dbraw/zinc/61/65/84/344616584.db2.gz FVLUOYCZAMHYEH-TUAOUCFPSA-N 1 2 280.372 1.283 20 30 CDEDLO C[C@H]([C@H](C)[N@H+](C)CC1(CC#N)CC1)S(C)(=O)=O ZINC000602788909 344601194 /nfs/dbraw/zinc/60/11/94/344601194.db2.gz XXWSVKBNZQQMCA-WDEREUQCSA-N 1 2 258.387 1.434 20 30 CDEDLO C[C@H]([C@H](C)[N@@H+](C)CC1(CC#N)CC1)S(C)(=O)=O ZINC000602788909 344601196 /nfs/dbraw/zinc/60/11/96/344601196.db2.gz XXWSVKBNZQQMCA-WDEREUQCSA-N 1 2 258.387 1.434 20 30 CDEDLO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000602863561 344637833 /nfs/dbraw/zinc/63/78/33/344637833.db2.gz OHQLLMSPMRZDQZ-MNOVXSKESA-N 1 2 261.325 1.914 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000602867529 344639394 /nfs/dbraw/zinc/63/93/94/344639394.db2.gz DPYCATOETOMYKZ-MNOVXSKESA-N 1 2 256.309 1.777 20 30 CDEDLO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N)c1 ZINC000602869370 344640424 /nfs/dbraw/zinc/64/04/24/344640424.db2.gz NQMCYVPSYSREGF-GHMZBOCLSA-N 1 2 288.351 1.864 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000602870449 344641086 /nfs/dbraw/zinc/64/10/86/344641086.db2.gz UDBJZRCQJFONTP-NSHDSACASA-N 1 2 288.351 1.219 20 30 CDEDLO C=C(C)Cn1cc(C[NH+]2CCC(C(=O)OCC)CC2)nn1 ZINC000603171997 344727148 /nfs/dbraw/zinc/72/71/48/344727148.db2.gz IINIWTLVDVMKIM-UHFFFAOYSA-N 1 2 292.383 1.629 20 30 CDEDLO C[C@H](CCC#N)[N@@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000603023131 344693423 /nfs/dbraw/zinc/69/34/23/344693423.db2.gz ASGDBGRVYFBNCN-LLVKDONJSA-N 1 2 293.392 1.384 20 30 CDEDLO C[C@H](CCC#N)[N@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000603023131 344693426 /nfs/dbraw/zinc/69/34/26/344693426.db2.gz ASGDBGRVYFBNCN-LLVKDONJSA-N 1 2 293.392 1.384 20 30 CDEDLO C[C@@]1(C#N)CCCN(CCC[NH+]2CCOCC2)C1 ZINC000612164438 347067081 /nfs/dbraw/zinc/06/70/81/347067081.db2.gz CBMABNDELMPTFL-AWEZNQCLSA-N 1 2 251.374 1.334 20 30 CDEDLO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612164423 347067257 /nfs/dbraw/zinc/06/72/57/347067257.db2.gz BYOQITPECRSEDS-XHDPSFHLSA-N 1 2 294.399 1.625 20 30 CDEDLO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612164423 347067261 /nfs/dbraw/zinc/06/72/61/347067261.db2.gz BYOQITPECRSEDS-XHDPSFHLSA-N 1 2 294.399 1.625 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)COc1ccc(C#N)cc1 ZINC000121579448 344802030 /nfs/dbraw/zinc/80/20/30/344802030.db2.gz KVOLOSUKTYWUQD-UHFFFAOYSA-N 1 2 284.319 1.029 20 30 CDEDLO CCCC(=O)NC1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000603839605 344839329 /nfs/dbraw/zinc/83/93/29/344839329.db2.gz LELYSAQHNGOHDG-CYBMUJFWSA-N 1 2 276.384 1.811 20 30 CDEDLO NC(=[NH+]OCc1cnc(Cl)s1)[C@H]1CCCO1 ZINC000283765234 263084172 /nfs/dbraw/zinc/08/41/72/263084172.db2.gz BLHFAZYWMKIBDL-SSDOTTSWSA-N 1 2 261.734 1.764 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000397774308 345258033 /nfs/dbraw/zinc/25/80/33/345258033.db2.gz VTELXDVPTDEDBQ-VIFPVBQESA-N 1 2 263.263 1.291 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC000397774308 345258035 /nfs/dbraw/zinc/25/80/35/345258035.db2.gz VTELXDVPTDEDBQ-VIFPVBQESA-N 1 2 263.263 1.291 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1ccsc1 ZINC000120561586 345278918 /nfs/dbraw/zinc/27/89/18/345278918.db2.gz CUJYYUKGVKRJBL-UHFFFAOYSA-N 1 2 265.382 1.942 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1ccsc1 ZINC000120561586 345278922 /nfs/dbraw/zinc/27/89/22/345278922.db2.gz CUJYYUKGVKRJBL-UHFFFAOYSA-N 1 2 265.382 1.942 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](OC)C1 ZINC000267822135 362627551 /nfs/dbraw/zinc/62/75/51/362627551.db2.gz PCENWXNFUAOPBO-UONOGXRCSA-N 1 2 274.320 1.493 20 30 CDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](OC)C1 ZINC000267822135 362627554 /nfs/dbraw/zinc/62/75/54/362627554.db2.gz PCENWXNFUAOPBO-UONOGXRCSA-N 1 2 274.320 1.493 20 30 CDEDLO C[C@H](CC#N)[NH2+][C@H]1CCN(c2ccccc2F)C1=O ZINC000609572516 345812917 /nfs/dbraw/zinc/81/29/17/345812917.db2.gz VGHLQVARLPZLNM-PWSUYJOCSA-N 1 2 261.300 1.823 20 30 CDEDLO N#CCNC(=O)C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000609800411 346002324 /nfs/dbraw/zinc/00/23/24/346002324.db2.gz FWGRCOUUBIKSEG-ZDUSSCGKSA-N 1 2 275.377 1.416 20 30 CDEDLO N#CCNC(=O)C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000609800411 346002328 /nfs/dbraw/zinc/00/23/28/346002328.db2.gz FWGRCOUUBIKSEG-ZDUSSCGKSA-N 1 2 275.377 1.416 20 30 CDEDLO C[C@@H]1c2c(F)cccc2CC[N@H+]1CC(=O)NCC#N ZINC000610004438 346056832 /nfs/dbraw/zinc/05/68/32/346056832.db2.gz KRXIPEMYQDGUFV-SNVBAGLBSA-N 1 2 261.300 1.385 20 30 CDEDLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)NCC#N ZINC000610004438 346056835 /nfs/dbraw/zinc/05/68/35/346056835.db2.gz KRXIPEMYQDGUFV-SNVBAGLBSA-N 1 2 261.300 1.385 20 30 CDEDLO N#Cc1ccc(C(=O)Nc2cccc3[nH+]ccn32)nc1 ZINC000610234708 346223778 /nfs/dbraw/zinc/22/37/78/346223778.db2.gz ARXBTFMDBJQKDM-UHFFFAOYSA-N 1 2 263.260 1.853 20 30 CDEDLO Cc1cccn2cc(CCNC(=O)c3cc(C#N)c[nH]3)[nH+]c12 ZINC000610494354 346295082 /nfs/dbraw/zinc/29/50/82/346295082.db2.gz WEABPCWLMFYKLH-UHFFFAOYSA-N 1 2 293.330 1.815 20 30 CDEDLO CC(C)(C)c1nc(NC2CCN(CC#N)CC2)cc[nH+]1 ZINC000610515291 346301317 /nfs/dbraw/zinc/30/13/17/346301317.db2.gz YLNRAISJVBCDPD-UHFFFAOYSA-N 1 2 273.384 1.596 20 30 CDEDLO Cc1ccc[nH+]c1CCc1noc(-c2cnn(C)c2C#N)n1 ZINC000351135647 346410824 /nfs/dbraw/zinc/41/08/24/346410824.db2.gz ZRGGESSVLDUMND-UHFFFAOYSA-N 1 2 294.318 1.830 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000610917445 346487131 /nfs/dbraw/zinc/48/71/31/346487131.db2.gz LRFJVFRZDUSOHY-QMMMGPOBSA-N 1 2 253.252 1.795 20 30 CDEDLO Cc1oc(NC(=O)C[N@H+]2CCCOC[C@H]2C)c(C#N)c1C ZINC000610990804 346566831 /nfs/dbraw/zinc/56/68/31/346566831.db2.gz ODTXRWWEPFRIQL-SNVBAGLBSA-N 1 2 291.351 1.817 20 30 CDEDLO Cc1oc(NC(=O)C[N@@H+]2CCCOC[C@H]2C)c(C#N)c1C ZINC000610990804 346566835 /nfs/dbraw/zinc/56/68/35/346566835.db2.gz ODTXRWWEPFRIQL-SNVBAGLBSA-N 1 2 291.351 1.817 20 30 CDEDLO CCOC(=O)C1([N@H+](C)CC#CCOC)CCCCC1 ZINC000611194759 346690299 /nfs/dbraw/zinc/69/02/99/346690299.db2.gz KPGHUKAQZAMPKR-UHFFFAOYSA-N 1 2 267.369 1.834 20 30 CDEDLO CCOC(=O)C1([N@@H+](C)CC#CCOC)CCCCC1 ZINC000611194759 346690300 /nfs/dbraw/zinc/69/03/00/346690300.db2.gz KPGHUKAQZAMPKR-UHFFFAOYSA-N 1 2 267.369 1.834 20 30 CDEDLO COCc1noc(C[NH2+][C@@H](C)c2cccc(C#N)c2)n1 ZINC000611483521 346794657 /nfs/dbraw/zinc/79/46/57/346794657.db2.gz GGOZBGUPMAAXAV-JTQLQIEISA-N 1 2 272.308 1.938 20 30 CDEDLO C[C@]1(C#N)CCC[N@H+](Cc2cnc3cnccn23)C1 ZINC000612405624 347148761 /nfs/dbraw/zinc/14/87/61/347148761.db2.gz BLSMROWSPXWXRS-CQSZACIVSA-N 1 2 255.325 1.855 20 30 CDEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000612405624 347148765 /nfs/dbraw/zinc/14/87/65/347148765.db2.gz BLSMROWSPXWXRS-CQSZACIVSA-N 1 2 255.325 1.855 20 30 CDEDLO C=CCNC(=O)[C@@H](C)N1CC[NH+](Cc2ccco2)CC1 ZINC000053441161 347739817 /nfs/dbraw/zinc/73/98/17/347739817.db2.gz KTPONABGIYNFRK-CYBMUJFWSA-N 1 2 277.368 1.088 20 30 CDEDLO C=C[C@@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)C(=O)OC ZINC000619701854 347890638 /nfs/dbraw/zinc/89/06/38/347890638.db2.gz XGKNRBLYUPSPGD-CQSZACIVSA-N 1 2 294.395 1.485 20 30 CDEDLO C=C[C@H]([NH2+]C[C@H]1CCCO[C@H]1C(C)C)C(=O)OC ZINC000619702132 347893628 /nfs/dbraw/zinc/89/36/28/347893628.db2.gz GWXRZAJUPUIJEZ-AGIUHOORSA-N 1 2 255.358 1.755 20 30 CDEDLO C=C[C@@H](Nc1ccc(N2CCOCC2)[nH+]c1C)C(=O)OC ZINC000619703981 347970181 /nfs/dbraw/zinc/97/01/81/347970181.db2.gz VUVRPTRTDXPBRD-GFCCVEGCSA-N 1 2 291.351 1.366 20 30 CDEDLO C=CC(C)(C)CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000450729408 362875460 /nfs/dbraw/zinc/87/54/60/362875460.db2.gz PKKIRPNUFSFFQN-UHFFFAOYSA-N 1 2 262.357 1.937 20 30 CDEDLO C=CC(C)(C)CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000450729408 362875463 /nfs/dbraw/zinc/87/54/63/362875463.db2.gz PKKIRPNUFSFFQN-UHFFFAOYSA-N 1 2 262.357 1.937 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc2c1OCC2 ZINC000414146320 362923383 /nfs/dbraw/zinc/92/33/83/362923383.db2.gz OZCUFGKUBZHVCJ-ZDUSSCGKSA-N 1 2 276.336 1.207 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc2c1OCC2 ZINC000414146320 362923389 /nfs/dbraw/zinc/92/33/89/362923389.db2.gz OZCUFGKUBZHVCJ-ZDUSSCGKSA-N 1 2 276.336 1.207 20 30 CDEDLO C[C@H](NC(=O)NCCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000043311295 348755208 /nfs/dbraw/zinc/75/52/08/348755208.db2.gz CSGOOEHOJSACBK-LBPRGKRZSA-N 1 2 283.335 1.815 20 30 CDEDLO N#CC1CC[NH+](CC(=O)NCCc2ccc(F)cc2)CC1 ZINC000057908195 348851502 /nfs/dbraw/zinc/85/15/02/348851502.db2.gz HHQPDNNYJPZDFZ-UHFFFAOYSA-N 1 2 289.354 1.720 20 30 CDEDLO CCOCCCNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000064795734 348947096 /nfs/dbraw/zinc/94/70/96/348947096.db2.gz YTPAUZAHXGKGLD-RYUDHWBXSA-N 1 2 255.362 1.009 20 30 CDEDLO CCOCCCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000064795734 348947097 /nfs/dbraw/zinc/94/70/97/348947097.db2.gz YTPAUZAHXGKGLD-RYUDHWBXSA-N 1 2 255.362 1.009 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)CC(C)(C)O1 ZINC000065426432 348954959 /nfs/dbraw/zinc/95/49/59/348954959.db2.gz RFTWIXNKCSJFJQ-ZDUSSCGKSA-N 1 2 293.411 1.828 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)CC(C)(C)O1 ZINC000065426432 348954961 /nfs/dbraw/zinc/95/49/61/348954961.db2.gz RFTWIXNKCSJFJQ-ZDUSSCGKSA-N 1 2 293.411 1.828 20 30 CDEDLO C[C@@](O)(C[N@@H+]1CCC[C@](C)(C#N)C1)C(F)(F)F ZINC000619621175 349274229 /nfs/dbraw/zinc/27/42/29/349274229.db2.gz ALWAHWCJAHUNTL-NXEZZACHSA-N 1 2 250.264 1.925 20 30 CDEDLO C[C@@](O)(C[N@H+]1CCC[C@](C)(C#N)C1)C(F)(F)F ZINC000619621175 349274233 /nfs/dbraw/zinc/27/42/33/349274233.db2.gz ALWAHWCJAHUNTL-NXEZZACHSA-N 1 2 250.264 1.925 20 30 CDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000110751881 350308602 /nfs/dbraw/zinc/30/86/02/350308602.db2.gz FAXJDHXCXSKSDK-LBPRGKRZSA-N 1 2 293.392 1.273 20 30 CDEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000110751881 350308605 /nfs/dbraw/zinc/30/86/05/350308605.db2.gz FAXJDHXCXSKSDK-LBPRGKRZSA-N 1 2 293.392 1.273 20 30 CDEDLO N#CCCCCNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000264074139 362959766 /nfs/dbraw/zinc/95/97/66/362959766.db2.gz NAKKQQZCLMCFQB-LBPRGKRZSA-N 1 2 275.356 1.993 20 30 CDEDLO C=CC[N@@H+](CCS(=O)(=O)NC)Cc1ccccc1F ZINC000621250310 350504091 /nfs/dbraw/zinc/50/40/91/350504091.db2.gz WYRBFUCASHJYAC-UHFFFAOYSA-N 1 2 286.372 1.363 20 30 CDEDLO C=CC[N@H+](CCS(=O)(=O)NC)Cc1ccccc1F ZINC000621250310 350504095 /nfs/dbraw/zinc/50/40/95/350504095.db2.gz WYRBFUCASHJYAC-UHFFFAOYSA-N 1 2 286.372 1.363 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152914930 188052128 /nfs/dbraw/zinc/05/21/28/188052128.db2.gz IIIUOWILIIVHMH-KGLIPLIRSA-N 1 2 289.379 1.758 20 30 CDEDLO CC#CCC[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000155030360 188177459 /nfs/dbraw/zinc/17/74/59/188177459.db2.gz NQNLRSIAUAIAPG-UHFFFAOYSA-N 1 2 262.378 1.919 20 30 CDEDLO C=C(Cl)CNC(=O)NCc1c[nH+]ccc1OC ZINC000292498412 198310439 /nfs/dbraw/zinc/31/04/39/198310439.db2.gz CCXISIZQFHLUJB-UHFFFAOYSA-N 1 2 255.705 1.642 20 30 CDEDLO C[C@H](O)C[C@H]1COCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000156967911 188291091 /nfs/dbraw/zinc/29/10/91/188291091.db2.gz IBHDWAXNYYKSQM-BBRMVZONSA-N 1 2 277.339 1.649 20 30 CDEDLO C[C@H](O)C[C@H]1COCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000156967911 188291092 /nfs/dbraw/zinc/29/10/92/188291092.db2.gz IBHDWAXNYYKSQM-BBRMVZONSA-N 1 2 277.339 1.649 20 30 CDEDLO C[C@@H](O)C[C@H]1COCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000157189565 188302060 /nfs/dbraw/zinc/30/20/60/188302060.db2.gz PPRJGDKUYZSMKB-RISCZKNCSA-N 1 2 278.327 1.669 20 30 CDEDLO C[C@@H](O)C[C@H]1COCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000157189565 188302061 /nfs/dbraw/zinc/30/20/61/188302061.db2.gz PPRJGDKUYZSMKB-RISCZKNCSA-N 1 2 278.327 1.669 20 30 CDEDLO N#Cc1cccc(C2([NH2+]Cc3nnnn3C3CC3)CC2)c1 ZINC000271744189 191301843 /nfs/dbraw/zinc/30/18/43/191301843.db2.gz DELCXSUXAFKOQT-UHFFFAOYSA-N 1 2 280.335 1.659 20 30 CDEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@H](C#N)C(C)(C)C ZINC000493130762 366194094 /nfs/dbraw/zinc/19/40/94/366194094.db2.gz XBZQVHVPENIRFS-JMEBYUIHSA-N 1 2 260.341 1.971 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[S@](=O)CC[C@@H]2C)cc1C#N ZINC000365474106 363388171 /nfs/dbraw/zinc/38/81/71/363388171.db2.gz MYUNFZSLZHBLEQ-FKIZINRSSA-N 1 2 292.404 1.910 20 30 CDEDLO COc1ccc(C[N@H+]2CC[S@](=O)CC[C@@H]2C)cc1C#N ZINC000365474106 363388177 /nfs/dbraw/zinc/38/81/77/363388177.db2.gz MYUNFZSLZHBLEQ-FKIZINRSSA-N 1 2 292.404 1.910 20 30 CDEDLO Cc1nc([C@@H]2CC[N@H+](Cc3ccc(C#N)cn3)C2)n[nH]1 ZINC000569471942 358495318 /nfs/dbraw/zinc/49/53/18/358495318.db2.gz WBLAFROZNLEZLB-GFCCVEGCSA-N 1 2 268.324 1.369 20 30 CDEDLO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(C#N)cn3)C2)n[nH]1 ZINC000569471942 358495322 /nfs/dbraw/zinc/49/53/22/358495322.db2.gz WBLAFROZNLEZLB-GFCCVEGCSA-N 1 2 268.324 1.369 20 30 CDEDLO C#CCOc1ccc(C[N@H+]2CCN(CC)C(=O)C2)cc1 ZINC000273548635 192197041 /nfs/dbraw/zinc/19/70/41/192197041.db2.gz YHIQVENQUAHXLJ-UHFFFAOYSA-N 1 2 272.348 1.363 20 30 CDEDLO C#CCOc1ccc(C[N@@H+]2CCN(CC)C(=O)C2)cc1 ZINC000273548635 192197043 /nfs/dbraw/zinc/19/70/43/192197043.db2.gz YHIQVENQUAHXLJ-UHFFFAOYSA-N 1 2 272.348 1.363 20 30 CDEDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000233956809 356440552 /nfs/dbraw/zinc/44/05/52/356440552.db2.gz WYMHXYRDAAOUQD-ZDUSSCGKSA-N 1 2 273.336 1.277 20 30 CDEDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000233956809 356440557 /nfs/dbraw/zinc/44/05/57/356440557.db2.gz WYMHXYRDAAOUQD-ZDUSSCGKSA-N 1 2 273.336 1.277 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCCCCC2)nc1 ZINC000290317962 366307676 /nfs/dbraw/zinc/30/76/76/366307676.db2.gz OCUCIFLYLRGGRR-UHFFFAOYSA-N 1 2 293.392 1.603 20 30 CDEDLO Cc1[nH][nH]c(=NC(=O)c2cccc(C[NH+](C)C)c2)c1C#N ZINC000431709818 356825809 /nfs/dbraw/zinc/82/58/09/356825809.db2.gz HOFDDUOECMHWLH-UHFFFAOYSA-N 1 2 283.335 1.326 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+](CC#C)Cc1ccccc1 ZINC000298581084 356901612 /nfs/dbraw/zinc/90/16/12/356901612.db2.gz QZQQADBWNLMUKW-AWEZNQCLSA-N 1 2 254.333 1.260 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+](CC#C)Cc1ccccc1 ZINC000298581084 356901614 /nfs/dbraw/zinc/90/16/14/356901614.db2.gz QZQQADBWNLMUKW-AWEZNQCLSA-N 1 2 254.333 1.260 20 30 CDEDLO C=CC[C@@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)c1ccccc1 ZINC000188742338 357073701 /nfs/dbraw/zinc/07/37/01/357073701.db2.gz KUPJBTNTLMOPHS-IAGOWNOFSA-N 1 2 299.418 1.462 20 30 CDEDLO CN(CC(C)(C)C#N)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000556647255 357152857 /nfs/dbraw/zinc/15/28/57/357152857.db2.gz GURMBIFJLNJXET-UHFFFAOYSA-N 1 2 299.334 1.281 20 30 CDEDLO Cc1noc(C(C)(C)[NH2+]Cc2cc(C#N)n(C)c2)n1 ZINC000341257238 357214685 /nfs/dbraw/zinc/21/46/85/357214685.db2.gz UOSVRYZGYKBFLD-UHFFFAOYSA-N 1 2 259.313 1.613 20 30 CDEDLO CN1CC[N@H+](C)[C@@H](CNc2nc(Cl)c(C#N)s2)C1 ZINC000234351786 357702082 /nfs/dbraw/zinc/70/20/82/357702082.db2.gz UMURIBZBZAFOMK-QMMMGPOBSA-N 1 2 285.804 1.326 20 30 CDEDLO CN1CC[N@@H+](C)[C@@H](CNc2nc(Cl)c(C#N)s2)C1 ZINC000234351786 357702086 /nfs/dbraw/zinc/70/20/86/357702086.db2.gz UMURIBZBZAFOMK-QMMMGPOBSA-N 1 2 285.804 1.326 20 30 CDEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CC1(C#N)CCCCC1 ZINC000600420961 357777814 /nfs/dbraw/zinc/77/78/14/357777814.db2.gz RTXULBLDGDWYMO-ZDUSSCGKSA-N 1 2 279.384 1.297 20 30 CDEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)CC1(C#N)CCCCC1 ZINC000600420961 357777820 /nfs/dbraw/zinc/77/78/20/357777820.db2.gz RTXULBLDGDWYMO-ZDUSSCGKSA-N 1 2 279.384 1.297 20 30 CDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cnccc1C#N ZINC000286176078 291130903 /nfs/dbraw/zinc/13/09/03/291130903.db2.gz AFCPJIVQBSJHAN-JSGCOSHPSA-N 1 2 272.352 1.253 20 30 CDEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@](F)(CO)C2)c1 ZINC000287086160 358093038 /nfs/dbraw/zinc/09/30/38/358093038.db2.gz VRRUOHMPNOWEJT-CQSZACIVSA-N 1 2 266.291 1.994 20 30 CDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@](F)(CO)C2)c1 ZINC000287086160 358093040 /nfs/dbraw/zinc/09/30/40/358093040.db2.gz VRRUOHMPNOWEJT-CQSZACIVSA-N 1 2 266.291 1.994 20 30 CDEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)o2)C[C@@H]1C ZINC000408116024 358159562 /nfs/dbraw/zinc/15/95/62/358159562.db2.gz SOGRYCJCQMGCIM-QWRGUYRKSA-N 1 2 297.380 1.254 20 30 CDEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)o2)C[C@@H]1C ZINC000408116024 358159565 /nfs/dbraw/zinc/15/95/65/358159565.db2.gz SOGRYCJCQMGCIM-QWRGUYRKSA-N 1 2 297.380 1.254 20 30 CDEDLO CN(C)c1cc(C#N)cc(C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000294730862 199155581 /nfs/dbraw/zinc/15/55/81/199155581.db2.gz OSYCMNVORSCWGM-UHFFFAOYSA-N 1 2 295.346 1.477 20 30 CDEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCOC[C@@]23CCOC3)cc1 ZINC000193718962 358319410 /nfs/dbraw/zinc/31/94/10/358319410.db2.gz CMACBVPWMVKNEH-CVEARBPZSA-N 1 2 288.347 1.083 20 30 CDEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCOC[C@@]23CCOC3)cc1 ZINC000193718962 358319414 /nfs/dbraw/zinc/31/94/14/358319414.db2.gz CMACBVPWMVKNEH-CVEARBPZSA-N 1 2 288.347 1.083 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000247444199 358327463 /nfs/dbraw/zinc/32/74/63/358327463.db2.gz SFMVNIKTPHOPAX-HZPDHXFCSA-N 1 2 272.348 1.938 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000247444199 358327464 /nfs/dbraw/zinc/32/74/64/358327464.db2.gz SFMVNIKTPHOPAX-HZPDHXFCSA-N 1 2 272.348 1.938 20 30 CDEDLO N#Cc1cc(Br)ccc1C[NH+](CCO)CCO ZINC000287437460 358649915 /nfs/dbraw/zinc/64/99/15/358649915.db2.gz UNIMCBYESPFSHQ-UHFFFAOYSA-N 1 2 299.168 1.107 20 30 CDEDLO Cn1ncc2c1nc[nH+]c2N1CCC[C@@H](CC#N)C1 ZINC000596331665 358660395 /nfs/dbraw/zinc/66/03/95/358660395.db2.gz SQLTZIGZXGDNPU-JTQLQIEISA-N 1 2 256.313 1.493 20 30 CDEDLO C#CC[N@H+](C)CCCN[C@H](c1cccs1)c1nnc[nH]1 ZINC000294944303 199263738 /nfs/dbraw/zinc/26/37/38/199263738.db2.gz IFAODCVQVPQWFM-CYBMUJFWSA-N 1 2 289.408 1.500 20 30 CDEDLO C#CC[N@@H+](C)CCCN[C@H](c1cccs1)c1nnc[nH]1 ZINC000294944303 199263740 /nfs/dbraw/zinc/26/37/40/199263740.db2.gz IFAODCVQVPQWFM-CYBMUJFWSA-N 1 2 289.408 1.500 20 30 CDEDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@](C)(C#N)CSC ZINC000493607677 366484581 /nfs/dbraw/zinc/48/45/81/366484581.db2.gz ASDSKCWYNCHZKT-CFHLNLSMSA-N 1 2 278.381 1.678 20 30 CDEDLO C=CCCN(C)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000494221993 366502249 /nfs/dbraw/zinc/50/22/49/366502249.db2.gz BPXXCCLHZWYWGG-ZDUSSCGKSA-N 1 2 267.373 1.067 20 30 CDEDLO C=CCCN(C)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000494221993 366502255 /nfs/dbraw/zinc/50/22/55/366502255.db2.gz BPXXCCLHZWYWGG-ZDUSSCGKSA-N 1 2 267.373 1.067 20 30 CDEDLO CO[C@@H]1CC[N@H+](CCC#N)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000495282465 366522187 /nfs/dbraw/zinc/52/21/87/366522187.db2.gz VBIAANWDLVRDCH-CHWSQXEVSA-N 1 2 297.399 1.904 20 30 CDEDLO CO[C@@H]1CC[N@@H+](CCC#N)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000495282465 366522192 /nfs/dbraw/zinc/52/21/92/366522192.db2.gz VBIAANWDLVRDCH-CHWSQXEVSA-N 1 2 297.399 1.904 20 30 CDEDLO CN(C)[C@@H](C(=O)NCc1cccc(C#N)c1)c1c[nH+]cn1C ZINC000341206635 366529462 /nfs/dbraw/zinc/52/94/62/366529462.db2.gz WZXRWGJBHRDHNQ-OAHLLOKOSA-N 1 2 297.362 1.211 20 30 CDEDLO CCC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000346511220 359019010 /nfs/dbraw/zinc/01/90/10/359019010.db2.gz VKMVQKUSSZJESC-QWHCGFSZSA-N 1 2 279.384 1.438 20 30 CDEDLO CCC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000346511220 359019013 /nfs/dbraw/zinc/01/90/13/359019013.db2.gz VKMVQKUSSZJESC-QWHCGFSZSA-N 1 2 279.384 1.438 20 30 CDEDLO CCC[C@H]1C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000346511217 359019263 /nfs/dbraw/zinc/01/92/63/359019263.db2.gz VKMVQKUSSZJESC-OLZOCXBDSA-N 1 2 279.384 1.438 20 30 CDEDLO CCC[C@H]1C[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CCO1 ZINC000346511217 359019267 /nfs/dbraw/zinc/01/92/67/359019267.db2.gz VKMVQKUSSZJESC-OLZOCXBDSA-N 1 2 279.384 1.438 20 30 CDEDLO Cc1nc(N2CC[NH+](Cc3ccccn3)CC2)ccc1C#N ZINC000291701751 359081253 /nfs/dbraw/zinc/08/12/53/359081253.db2.gz UKARWSAKDZPAIK-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO N#Cc1cc([N+](=O)[O-])cnc1NCCn1cc[nH+]c1 ZINC000048936102 359180450 /nfs/dbraw/zinc/18/04/50/359180450.db2.gz BPVCVGJUHVLHCB-UHFFFAOYSA-N 1 2 258.241 1.170 20 30 CDEDLO CC[C@H](O)C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000339057260 359282912 /nfs/dbraw/zinc/28/29/12/359282912.db2.gz DFQKNMLOJXIOPI-GJZGRUSLSA-N 1 2 260.337 1.702 20 30 CDEDLO CC[C@H](O)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000339057260 359282915 /nfs/dbraw/zinc/28/29/15/359282915.db2.gz DFQKNMLOJXIOPI-GJZGRUSLSA-N 1 2 260.337 1.702 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000079883288 359338667 /nfs/dbraw/zinc/33/86/67/359338667.db2.gz MBNMHSAUJIVRQD-KBPBESRZSA-N 1 2 288.395 1.873 20 30 CDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCn2cccc2[C@@H]1C ZINC000079883288 359338671 /nfs/dbraw/zinc/33/86/71/359338671.db2.gz MBNMHSAUJIVRQD-KBPBESRZSA-N 1 2 288.395 1.873 20 30 CDEDLO Cn1nccc1C[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000355294111 359450227 /nfs/dbraw/zinc/45/02/27/359450227.db2.gz SESHGKWNPXBEQH-UHFFFAOYSA-N 1 2 280.335 1.571 20 30 CDEDLO Cn1nccc1C[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000355294111 359450231 /nfs/dbraw/zinc/45/02/31/359450231.db2.gz SESHGKWNPXBEQH-UHFFFAOYSA-N 1 2 280.335 1.571 20 30 CDEDLO CN(Cc1ccnn1C)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000355294111 359450233 /nfs/dbraw/zinc/45/02/33/359450233.db2.gz SESHGKWNPXBEQH-UHFFFAOYSA-N 1 2 280.335 1.571 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1ccc(OC)c(OC)c1)C1CC1 ZINC000274114549 359493905 /nfs/dbraw/zinc/49/39/05/359493905.db2.gz FVUBLZICDGLRJD-UHFFFAOYSA-N 1 2 288.347 1.740 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1ccc(OC)c(OC)c1)C1CC1 ZINC000274114549 359493909 /nfs/dbraw/zinc/49/39/09/359493909.db2.gz FVUBLZICDGLRJD-UHFFFAOYSA-N 1 2 288.347 1.740 20 30 CDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2c(C)n[nH]c2C)n1 ZINC000279407687 359587395 /nfs/dbraw/zinc/58/73/95/359587395.db2.gz NHIGYPPXKQBRNL-UHFFFAOYSA-N 1 2 271.368 1.878 20 30 CDEDLO C#CCn1ccc(C[N@H+](CC)Cc2c(C)n[nH]c2C)n1 ZINC000279407687 359587397 /nfs/dbraw/zinc/58/73/97/359587397.db2.gz NHIGYPPXKQBRNL-UHFFFAOYSA-N 1 2 271.368 1.878 20 30 CDEDLO CC#CCN(C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000297847538 200291457 /nfs/dbraw/zinc/29/14/57/200291457.db2.gz PAAAGYWRMODDRF-UHFFFAOYSA-N 1 2 256.309 1.499 20 30 CDEDLO CCN1CCN(c2cc(C)ncc2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000521395876 359965575 /nfs/dbraw/zinc/96/55/75/359965575.db2.gz UGUGBFYFUISLLV-HNNXBMFYSA-N 1 2 296.378 1.868 20 30 CDEDLO C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057907507 360167685 /nfs/dbraw/zinc/16/76/85/360167685.db2.gz GQOGEEVUZYFNKL-JSGCOSHPSA-N 1 2 263.385 1.917 20 30 CDEDLO CCC[N@H+](CC#Cc1cccc(Cl)c1)CC(N)=O ZINC000429133388 360761824 /nfs/dbraw/zinc/76/18/24/360761824.db2.gz OIQPWWJUUSHGGO-UHFFFAOYSA-N 1 2 264.756 1.889 20 30 CDEDLO CCC[N@@H+](CC#Cc1cccc(Cl)c1)CC(N)=O ZINC000429133388 360761827 /nfs/dbraw/zinc/76/18/27/360761827.db2.gz OIQPWWJUUSHGGO-UHFFFAOYSA-N 1 2 264.756 1.889 20 30 CDEDLO Cc1csc2nc(C[N@@H+](C)[C@H](C)CC#N)cc(=O)n12 ZINC000129628304 360865503 /nfs/dbraw/zinc/86/55/03/360865503.db2.gz SQPLJGFZKNUAGS-SECBINFHSA-N 1 2 276.365 1.798 20 30 CDEDLO Cc1csc2nc(C[N@H+](C)[C@H](C)CC#N)cc(=O)n12 ZINC000129628304 360865507 /nfs/dbraw/zinc/86/55/07/360865507.db2.gz SQPLJGFZKNUAGS-SECBINFHSA-N 1 2 276.365 1.798 20 30 CDEDLO Cc1ccc(C#N)c(NCC[N@@H+]2CCOC(C)(C)C2)n1 ZINC000179773243 189219527 /nfs/dbraw/zinc/21/95/27/189219527.db2.gz MFDABSAYHWNAOX-UHFFFAOYSA-N 1 2 274.368 1.784 20 30 CDEDLO Cc1ccc(C#N)c(NCC[N@H+]2CCOC(C)(C)C2)n1 ZINC000179773243 189219528 /nfs/dbraw/zinc/21/95/28/189219528.db2.gz MFDABSAYHWNAOX-UHFFFAOYSA-N 1 2 274.368 1.784 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000432090965 361104590 /nfs/dbraw/zinc/10/45/90/361104590.db2.gz NCSMWVBDDFWCFC-CYBMUJFWSA-N 1 2 282.432 1.134 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000432090965 361104594 /nfs/dbraw/zinc/10/45/94/361104594.db2.gz NCSMWVBDDFWCFC-CYBMUJFWSA-N 1 2 282.432 1.134 20 30 CDEDLO N#CC[N@@H+](C[C@H](O)COCC(F)(F)F)C1CCCC1 ZINC000432830355 361193797 /nfs/dbraw/zinc/19/37/97/361193797.db2.gz FJJCXYSJWMMYSY-NSHDSACASA-N 1 2 280.290 1.694 20 30 CDEDLO N#CC[N@H+](C[C@H](O)COCC(F)(F)F)C1CCCC1 ZINC000432830355 361193803 /nfs/dbraw/zinc/19/38/03/361193803.db2.gz FJJCXYSJWMMYSY-NSHDSACASA-N 1 2 280.290 1.694 20 30 CDEDLO CC#CC[N@@H+]1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000436257469 361488928 /nfs/dbraw/zinc/48/89/28/361488928.db2.gz FLTHTSNCBTUQAK-CVEARBPZSA-N 1 2 296.370 1.659 20 30 CDEDLO CC#CC[N@H+]1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000436257469 361488935 /nfs/dbraw/zinc/48/89/35/361488935.db2.gz FLTHTSNCBTUQAK-CVEARBPZSA-N 1 2 296.370 1.659 20 30 CDEDLO CO[C@]1(CNC(=O)C2([NH+]3CCOCC3)CCC2)CCOC1 ZINC000329677088 361702697 /nfs/dbraw/zinc/70/26/97/361702697.db2.gz VAVBJEQGPYGPKC-AWEZNQCLSA-N 1 2 298.383 1.003 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCc3ccccc3[C@H]2CO)CCC1 ZINC000526135774 363821398 /nfs/dbraw/zinc/82/13/98/363821398.db2.gz OYPSASQYQLMKMF-OAHLLOKOSA-N 1 2 299.374 1.141 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCc3ccccc3[C@H]2CO)CCC1 ZINC000526135774 363821401 /nfs/dbraw/zinc/82/14/01/363821401.db2.gz OYPSASQYQLMKMF-OAHLLOKOSA-N 1 2 299.374 1.141 20 30 CDEDLO CN1C[C@H](C[N@H+](CCC#N)CC(C)(C)C)OC1=O ZINC000496839183 366855124 /nfs/dbraw/zinc/85/51/24/366855124.db2.gz XDZURZCVJRSMPZ-LLVKDONJSA-N 1 2 253.346 1.699 20 30 CDEDLO CN1C[C@H](C[N@@H+](CCC#N)CC(C)(C)C)OC1=O ZINC000496839183 366855131 /nfs/dbraw/zinc/85/51/31/366855131.db2.gz XDZURZCVJRSMPZ-LLVKDONJSA-N 1 2 253.346 1.699 20 30 CDEDLO C=CCCOCC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000143953317 364554433 /nfs/dbraw/zinc/55/44/33/364554433.db2.gz NTBHFUDDEISFSI-UHFFFAOYSA-N 1 2 289.379 1.319 20 30 CDEDLO Cc1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)on1 ZINC000268272624 364606146 /nfs/dbraw/zinc/60/61/46/364606146.db2.gz HPJMGZUUEPNMKA-LBPRGKRZSA-N 1 2 298.350 1.355 20 30 CDEDLO Cc1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)on1 ZINC000268272624 364606151 /nfs/dbraw/zinc/60/61/51/364606151.db2.gz HPJMGZUUEPNMKA-LBPRGKRZSA-N 1 2 298.350 1.355 20 30 CDEDLO CNC(=O)[C@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000249401946 364676915 /nfs/dbraw/zinc/67/69/15/364676915.db2.gz VLLGXUSREATEQM-BXUZGUMPSA-N 1 2 273.336 1.066 20 30 CDEDLO CNC(=O)[C@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000249401946 364676920 /nfs/dbraw/zinc/67/69/20/364676920.db2.gz VLLGXUSREATEQM-BXUZGUMPSA-N 1 2 273.336 1.066 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(C)nc2)nn1 ZINC000641067230 364928098 /nfs/dbraw/zinc/92/80/98/364928098.db2.gz USQBMIJUUSLUPG-UHFFFAOYSA-N 1 2 255.325 1.143 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@H]2CCC(C)(C)O2)nn1 ZINC000641082276 364994415 /nfs/dbraw/zinc/99/44/15/364994415.db2.gz LRWHKBJJGYOITB-CYBMUJFWSA-N 1 2 262.357 1.349 20 30 CDEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CCN1S(C)(=O)=O ZINC000181584757 365035293 /nfs/dbraw/zinc/03/52/93/365035293.db2.gz UNVILFIQWQNQDJ-LBPRGKRZSA-N 1 2 293.392 1.024 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CCN1S(C)(=O)=O ZINC000181584757 365035298 /nfs/dbraw/zinc/03/52/98/365035298.db2.gz UNVILFIQWQNQDJ-LBPRGKRZSA-N 1 2 293.392 1.024 20 30 CDEDLO Cn1c[nH+]cc1CC(=O)Nc1n[nH]c(C2CC2)c1C#N ZINC000573128724 365243256 /nfs/dbraw/zinc/24/32/56/365243256.db2.gz MYABQEHTBFZSKC-UHFFFAOYSA-N 1 2 270.296 1.073 20 30 CDEDLO C=CC[C@H](C)NC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000354090327 365408663 /nfs/dbraw/zinc/40/86/63/365408663.db2.gz BIQXOMDOAUUUFM-QWHCGFSZSA-N 1 2 291.399 1.763 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000275922188 193163745 /nfs/dbraw/zinc/16/37/45/193163745.db2.gz JZKTTWSBTUYARW-ZDUSSCGKSA-N 1 2 274.368 1.476 20 30 CDEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000275922188 193163746 /nfs/dbraw/zinc/16/37/46/193163746.db2.gz JZKTTWSBTUYARW-ZDUSSCGKSA-N 1 2 274.368 1.476 20 30 CDEDLO C#CC[N@@H+](CC(=O)NCCC)Cc1ccc(F)cc1 ZINC000065958447 368340550 /nfs/dbraw/zinc/34/05/50/368340550.db2.gz BROVBRNFIREDKX-UHFFFAOYSA-N 1 2 262.328 1.787 20 30 CDEDLO C#CC[N@H+](CC(=O)NCCC)Cc1ccc(F)cc1 ZINC000065958447 368340555 /nfs/dbraw/zinc/34/05/55/368340555.db2.gz BROVBRNFIREDKX-UHFFFAOYSA-N 1 2 262.328 1.787 20 30 CDEDLO C=CCSCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000543745585 368966225 /nfs/dbraw/zinc/96/62/25/368966225.db2.gz GYXPTOFMXIYNKU-UHFFFAOYSA-N 1 2 289.364 1.311 20 30 CDEDLO C#CCOc1ccc(C[NH2+][C@@H](C(=O)OC)C2CC2)cc1 ZINC000276519180 193365517 /nfs/dbraw/zinc/36/55/17/193365517.db2.gz VAYGNFPLVFOBTD-OAHLLOKOSA-N 1 2 273.332 1.740 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@H]2c2ccccc2)CCC1 ZINC000554236748 370219636 /nfs/dbraw/zinc/21/96/36/370219636.db2.gz IWDHDLQRCCSUSM-CQSZACIVSA-N 1 2 269.348 1.996 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@H]2c2ccccc2)CCC1 ZINC000554236748 370219641 /nfs/dbraw/zinc/21/96/41/370219641.db2.gz IWDHDLQRCCSUSM-CQSZACIVSA-N 1 2 269.348 1.996 20 30 CDEDLO N#CCC1(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000374011259 370642690 /nfs/dbraw/zinc/64/26/90/370642690.db2.gz BIZVMBYVEBLNEB-GFCCVEGCSA-N 1 2 287.367 1.993 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccccc1Cl ZINC000569059279 371235245 /nfs/dbraw/zinc/23/52/45/371235245.db2.gz UXFIFGDCDQVAPY-CQSZACIVSA-N 1 2 279.771 1.843 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCSC[C@H]1C#N ZINC000578880121 372547617 /nfs/dbraw/zinc/54/76/17/372547617.db2.gz GELNKOKNBGDWNA-MWLCHTKSSA-N 1 2 264.354 1.056 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCSC[C@H]1C#N ZINC000578880121 372547629 /nfs/dbraw/zinc/54/76/29/372547629.db2.gz GELNKOKNBGDWNA-MWLCHTKSSA-N 1 2 264.354 1.056 20 30 CDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC#N)Cc1cccnc1 ZINC000579000538 372550808 /nfs/dbraw/zinc/55/08/08/372550808.db2.gz DCPFSFWYTJNDGE-ZDUSSCGKSA-N 1 2 297.362 1.926 20 30 CDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC#N)Cc1cccnc1 ZINC000579000538 372550814 /nfs/dbraw/zinc/55/08/14/372550814.db2.gz DCPFSFWYTJNDGE-ZDUSSCGKSA-N 1 2 297.362 1.926 20 30 CDEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ncc(C)s1 ZINC000185016917 372659113 /nfs/dbraw/zinc/65/91/13/372659113.db2.gz QEGJNFDAEKPJRJ-VIFPVBQESA-N 1 2 282.369 1.114 20 30 CDEDLO N#Cc1cccc(C#N)c1NCC[NH+]1CCOCC1 ZINC000302478307 373953732 /nfs/dbraw/zinc/95/37/32/373953732.db2.gz VTQAIXZOGZFAGI-UHFFFAOYSA-N 1 2 256.309 1.174 20 30 CDEDLO Cc1ccc(F)c(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000583875964 374035080 /nfs/dbraw/zinc/03/50/80/374035080.db2.gz ZSSPTVJJLGPMNX-OAHLLOKOSA-N 1 2 277.343 1.637 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc1 ZINC000518595758 374212676 /nfs/dbraw/zinc/21/26/76/374212676.db2.gz KULTWDOBNVKBCH-GFCCVEGCSA-N 1 2 281.319 1.696 20 30 CDEDLO CO[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000076346032 374219290 /nfs/dbraw/zinc/21/92/90/374219290.db2.gz OFALRTUEVQXNLM-LLVKDONJSA-N 1 2 279.365 1.669 20 30 CDEDLO CO[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000076346032 374219295 /nfs/dbraw/zinc/21/92/95/374219295.db2.gz OFALRTUEVQXNLM-LLVKDONJSA-N 1 2 279.365 1.669 20 30 CDEDLO C[C@H]1C[N@H+](CCNc2ncc(C#N)cc2Cl)CCO1 ZINC000524166719 374284655 /nfs/dbraw/zinc/28/46/55/374284655.db2.gz XYHSYQKMZSLZJM-JTQLQIEISA-N 1 2 280.759 1.739 20 30 CDEDLO C[C@H]1C[N@@H+](CCNc2ncc(C#N)cc2Cl)CCO1 ZINC000524166719 374284663 /nfs/dbraw/zinc/28/46/63/374284663.db2.gz XYHSYQKMZSLZJM-JTQLQIEISA-N 1 2 280.759 1.739 20 30 CDEDLO CCOc1ccc(C#N)cc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081291419 374500841 /nfs/dbraw/zinc/50/08/41/374500841.db2.gz CHJPTTWTIJYNOI-CQSZACIVSA-N 1 2 289.335 1.226 20 30 CDEDLO CCOc1ccc(C#N)cc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081291419 374500846 /nfs/dbraw/zinc/50/08/46/374500846.db2.gz CHJPTTWTIJYNOI-CQSZACIVSA-N 1 2 289.335 1.226 20 30 CDEDLO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2ccccc2C#N)C1 ZINC000277674284 374802196 /nfs/dbraw/zinc/80/21/96/374802196.db2.gz FWNCNDKGBWFXEP-HNNXBMFYSA-N 1 2 292.404 1.957 20 30 CDEDLO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000277674284 374802199 /nfs/dbraw/zinc/80/21/99/374802199.db2.gz FWNCNDKGBWFXEP-HNNXBMFYSA-N 1 2 292.404 1.957 20 30 CDEDLO Cc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1cc(C#N)n(C)c1 ZINC000331395753 374948566 /nfs/dbraw/zinc/94/85/66/374948566.db2.gz BVEOXHUNWQKDBN-ZDUSSCGKSA-N 1 2 270.340 1.421 20 30 CDEDLO CN(Cc1ccc(C#N)cc1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493358380 375446799 /nfs/dbraw/zinc/44/67/99/375446799.db2.gz UACMHNIALFBIET-VOTSOKGWSA-N 1 2 266.304 1.953 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H](C)C#N ZINC000133746719 375587617 /nfs/dbraw/zinc/58/76/17/375587617.db2.gz AXNYLEPPTNZXEK-JTQLQIEISA-N 1 2 256.309 1.763 20 30 CDEDLO N#Cc1ncccc1S(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000428395531 247291412 /nfs/dbraw/zinc/29/14/12/247291412.db2.gz ZWOZGSBWSGJXAZ-UHFFFAOYSA-N 1 2 286.316 1.100 20 30 CDEDLO Cc1[nH]c(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)c[nH+]1 ZINC000328783735 375969259 /nfs/dbraw/zinc/96/92/59/375969259.db2.gz NOJXMRCNUIAQGL-JTQLQIEISA-N 1 2 288.355 1.753 20 30 CDEDLO CC[C@@H]1COCCN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328603241 375921987 /nfs/dbraw/zinc/92/19/87/375921987.db2.gz HPWBRMOXZZQWPB-CHWSQXEVSA-N 1 2 292.383 1.785 20 30 CDEDLO Cc1cn2cc(NC(=O)[C@H]3COCCN3C)ccc2[nH+]1 ZINC000328942446 376016124 /nfs/dbraw/zinc/01/61/24/376016124.db2.gz LITZIDGAQXIPJR-GFCCVEGCSA-N 1 2 274.324 1.561 20 30 CDEDLO C=CCCn1cc(CNc2nc(C)[nH+]c3c2CCCC3)nn1 ZINC000631314369 376092560 /nfs/dbraw/zinc/09/25/60/376092560.db2.gz ZYZMPMBNNZAXDE-UHFFFAOYSA-N 1 2 298.394 1.865 20 30 CDEDLO Cc1cc(CNS(=O)(=O)N(C)C[C@H](C)C#N)cc(C)[nH+]1 ZINC000420697886 376381867 /nfs/dbraw/zinc/38/18/67/376381867.db2.gz JVNXCKSXJCUKHN-SNVBAGLBSA-N 1 2 296.396 1.124 20 30 CDEDLO CN(CCC#N)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420918551 376473012 /nfs/dbraw/zinc/47/30/12/376473012.db2.gz WMIHGGRLUPSQJV-UHFFFAOYSA-N 1 2 273.380 1.864 20 30 CDEDLO COC[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H](C)O1 ZINC000248911039 377358204 /nfs/dbraw/zinc/35/82/04/377358204.db2.gz YBRDCMUUJCQKHN-FZMZJTMJSA-N 1 2 278.327 1.933 20 30 CDEDLO COC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H](C)O1 ZINC000248911039 377358212 /nfs/dbraw/zinc/35/82/12/377358212.db2.gz YBRDCMUUJCQKHN-FZMZJTMJSA-N 1 2 278.327 1.933 20 30 CDEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000249902593 377483832 /nfs/dbraw/zinc/48/38/32/377483832.db2.gz UEIYGDLRMMTVFB-ZIAGYGMSSA-N 1 2 298.394 1.847 20 30 CDEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000249902593 377483838 /nfs/dbraw/zinc/48/38/38/377483838.db2.gz UEIYGDLRMMTVFB-ZIAGYGMSSA-N 1 2 298.394 1.847 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(-n2cccn2)c1 ZINC000571806363 377542793 /nfs/dbraw/zinc/54/27/93/377542793.db2.gz KPMKMSIISZNYOV-INIZCTEOSA-N 1 2 297.362 1.446 20 30 CDEDLO C[C@H]1CSCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000172591570 377634467 /nfs/dbraw/zinc/63/44/67/377634467.db2.gz IDNQSPCNHOQXIE-LBPRGKRZSA-N 1 2 281.425 1.766 20 30 CDEDLO C[C@H]1CSCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000172591570 377634472 /nfs/dbraw/zinc/63/44/72/377634472.db2.gz IDNQSPCNHOQXIE-LBPRGKRZSA-N 1 2 281.425 1.766 20 30 CDEDLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2CCCC#N)C[C@H](C)O1 ZINC000253357450 377810676 /nfs/dbraw/zinc/81/06/76/377810676.db2.gz AIQDZHLTSYHCKX-QLFBSQMISA-N 1 2 265.401 1.864 20 30 CDEDLO C[C@@H]1C[N@H+](C[C@H]2CCCN2CCCC#N)C[C@H](C)O1 ZINC000253357450 377810681 /nfs/dbraw/zinc/81/06/81/377810681.db2.gz AIQDZHLTSYHCKX-QLFBSQMISA-N 1 2 265.401 1.864 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181534482 377963162 /nfs/dbraw/zinc/96/31/62/377963162.db2.gz JLZFHGITNYQIIW-GOEBONIOSA-N 1 2 286.375 1.068 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181534482 377963167 /nfs/dbraw/zinc/96/31/67/377963167.db2.gz JLZFHGITNYQIIW-GOEBONIOSA-N 1 2 286.375 1.068 20 30 CDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC000280634338 377968168 /nfs/dbraw/zinc/96/81/68/377968168.db2.gz ADZMEMKSLCVVST-WFASDCNBSA-N 1 2 277.368 1.450 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCO[C@@H](c3ccccc3)C2)C1=O ZINC000282103405 378023935 /nfs/dbraw/zinc/02/39/35/378023935.db2.gz WHFYAMGNPPTMFF-JKSUJKDBSA-N 1 2 286.375 1.847 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCO[C@@H](c3ccccc3)C2)C1=O ZINC000282103405 378023938 /nfs/dbraw/zinc/02/39/38/378023938.db2.gz WHFYAMGNPPTMFF-JKSUJKDBSA-N 1 2 286.375 1.847 20 30 CDEDLO CC#CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000283716104 378129035 /nfs/dbraw/zinc/12/90/35/378129035.db2.gz CRHIZEAXIBDQDZ-CVEARBPZSA-N 1 2 284.359 1.122 20 30 CDEDLO CC#CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000283716104 378129037 /nfs/dbraw/zinc/12/90/37/378129037.db2.gz CRHIZEAXIBDQDZ-CVEARBPZSA-N 1 2 284.359 1.122 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1cccnc1 ZINC000134391685 378094198 /nfs/dbraw/zinc/09/41/98/378094198.db2.gz GSKHUZPPBQRVBN-UHFFFAOYSA-N 1 2 259.353 1.714 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CC=C)CC1 ZINC000283419150 378107875 /nfs/dbraw/zinc/10/78/75/378107875.db2.gz GOAUDSZXYYQNRY-UHFFFAOYSA-N 1 2 296.378 1.214 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000192223425 378176692 /nfs/dbraw/zinc/17/66/92/378176692.db2.gz AOAFPJWRJXDORO-UHFFFAOYSA-N 1 2 261.281 1.123 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000192223425 378176698 /nfs/dbraw/zinc/17/66/98/378176698.db2.gz AOAFPJWRJXDORO-UHFFFAOYSA-N 1 2 261.281 1.123 20 30 CDEDLO C=CCCC[N@H+]1CC[S@](=O)C[C@@H]1c1cnn(C)c1 ZINC000287682050 378276764 /nfs/dbraw/zinc/27/67/64/378276764.db2.gz IEVHBQBQHKNJPV-ACJLOTCBSA-N 1 2 267.398 1.492 20 30 CDEDLO C=CCCC[N@@H+]1CC[S@](=O)C[C@@H]1c1cnn(C)c1 ZINC000287682050 378276770 /nfs/dbraw/zinc/27/67/70/378276770.db2.gz IEVHBQBQHKNJPV-ACJLOTCBSA-N 1 2 267.398 1.492 20 30 CDEDLO C=CCC(C)(C)CNC(=O)NCc1[nH+]ccn1C ZINC000293235849 378549135 /nfs/dbraw/zinc/54/91/35/378549135.db2.gz WADPSFXYYDGERU-UHFFFAOYSA-N 1 2 250.346 1.822 20 30 CDEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000293096830 378535346 /nfs/dbraw/zinc/53/53/46/378535346.db2.gz KUXWLBZXRRGTPY-SNVBAGLBSA-N 1 2 286.335 1.138 20 30 CDEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000293096830 378535352 /nfs/dbraw/zinc/53/53/52/378535352.db2.gz KUXWLBZXRRGTPY-SNVBAGLBSA-N 1 2 286.335 1.138 20 30 CDEDLO C=CCN(Cc1[nH+]ccn1CC)[C@H]1CCS(=O)(=O)C1 ZINC000066560495 378680466 /nfs/dbraw/zinc/68/04/66/378680466.db2.gz UIASGNRSOBJESJ-LBPRGKRZSA-N 1 2 283.397 1.078 20 30 CDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)c1ncc(C#N)cc1Cl ZINC000278839756 194178049 /nfs/dbraw/zinc/17/80/49/194178049.db2.gz KSWRDTRCTMFLKM-NSHDSACASA-N 1 2 294.786 1.764 20 30 CDEDLO CC(C)(O)C[NH+]1CCN(C(=O)c2sccc2C#N)CC1 ZINC000070016334 379330584 /nfs/dbraw/zinc/33/05/84/379330584.db2.gz BIWXXMZSSLAQHM-UHFFFAOYSA-N 1 2 293.392 1.148 20 30 CDEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@H]1CCCOCC1 ZINC000329231017 227368886 /nfs/dbraw/zinc/36/88/86/227368886.db2.gz KHVBHLYYQAOMSC-STQMWFEESA-N 1 2 292.383 1.833 20 30 CDEDLO C#C[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)C(C)(C)C ZINC000288284055 197042947 /nfs/dbraw/zinc/04/29/47/197042947.db2.gz FHLIUNOPIWLBIR-ZDUSSCGKSA-N 1 2 276.384 1.963 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](CCOC)Cc2cccnc2)C1=O ZINC000281211075 195150801 /nfs/dbraw/zinc/15/08/01/195150801.db2.gz DFAQSOSARAZDAG-HNNXBMFYSA-N 1 2 289.379 1.317 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](CCOC)Cc2cccnc2)C1=O ZINC000281211075 195150803 /nfs/dbraw/zinc/15/08/03/195150803.db2.gz DFAQSOSARAZDAG-HNNXBMFYSA-N 1 2 289.379 1.317 20 30 CDEDLO CC[C@H](CC(F)(F)F)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000517747983 260035650 /nfs/dbraw/zinc/03/56/50/260035650.db2.gz NDIHIHDBXRJWSB-KOLCDFICSA-N 1 2 279.306 1.925 20 30 CDEDLO Cc1oc(-c2ccccc2)nc1CO[NH+]=C(N)CCO ZINC000136070505 390940961 /nfs/dbraw/zinc/94/09/61/390940961.db2.gz FJSGFUNFTWPSHO-UHFFFAOYSA-N 1 2 275.308 1.821 20 30 CDEDLO N#CCN1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000092936082 390897991 /nfs/dbraw/zinc/89/79/91/390897991.db2.gz RXSCGGOKNMPYFA-UHFFFAOYSA-N 1 2 251.280 1.606 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOC2(CCC2)C1 ZINC000154176805 390912002 /nfs/dbraw/zinc/91/20/02/390912002.db2.gz JQTHLHSDGQXWOW-CYBMUJFWSA-N 1 2 279.384 1.249 20 30 CDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOC2(CCC2)C1 ZINC000154176805 390912003 /nfs/dbraw/zinc/91/20/03/390912003.db2.gz JQTHLHSDGQXWOW-CYBMUJFWSA-N 1 2 279.384 1.249 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCOC2(CCC2)C1 ZINC000154220609 390912159 /nfs/dbraw/zinc/91/21/59/390912159.db2.gz ZDXSHDVKMWDTAK-LBPRGKRZSA-N 1 2 265.357 1.002 20 30 CDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCOC2(CCC2)C1 ZINC000154220609 390912160 /nfs/dbraw/zinc/91/21/60/390912160.db2.gz ZDXSHDVKMWDTAK-LBPRGKRZSA-N 1 2 265.357 1.002 20 30 CDEDLO CCn1cc[nH+]c1[C@@H](NC(=O)N1CCC1)C1CCOCC1 ZINC000329515235 391002501 /nfs/dbraw/zinc/00/25/01/391002501.db2.gz YKSYLMVMOQKIKX-ZDUSSCGKSA-N 1 2 292.383 1.990 20 30 CDEDLO COCC1([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000329535867 391006532 /nfs/dbraw/zinc/00/65/32/391006532.db2.gz LQEXLYFZLMLDCB-NSHDSACASA-N 1 2 278.356 1.271 20 30 CDEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NC1CCCCC1 ZINC000042324594 391080546 /nfs/dbraw/zinc/08/05/46/391080546.db2.gz WNSRRCQAQPQBPN-NEPJUHHUSA-N 1 2 251.374 1.915 20 30 CDEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NC1CCCCC1 ZINC000042324594 391080550 /nfs/dbraw/zinc/08/05/50/391080550.db2.gz WNSRRCQAQPQBPN-NEPJUHHUSA-N 1 2 251.374 1.915 20 30 CDEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCCCC#N)CCC2 ZINC000343851585 391089271 /nfs/dbraw/zinc/08/92/71/391089271.db2.gz DMTQJNQMCNWONP-GFCCVEGCSA-N 1 2 275.356 1.672 20 30 CDEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCC(=O)NCc1ccco1 ZINC000174219197 391118841 /nfs/dbraw/zinc/11/88/41/391118841.db2.gz TYOLGAXWKHUDCC-NSHDSACASA-N 1 2 297.355 1.246 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000352434524 391136284 /nfs/dbraw/zinc/13/62/84/391136284.db2.gz XDFYBIZPZKVQMS-ZFWWWQNUSA-N 1 2 284.400 1.052 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000352434524 391136288 /nfs/dbraw/zinc/13/62/88/391136288.db2.gz XDFYBIZPZKVQMS-ZFWWWQNUSA-N 1 2 284.400 1.052 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121832072 391147288 /nfs/dbraw/zinc/14/72/88/391147288.db2.gz ILKGSQVNXUUONB-MRXNPFEDSA-N 1 2 274.364 1.536 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121832072 391147290 /nfs/dbraw/zinc/14/72/90/391147290.db2.gz ILKGSQVNXUUONB-MRXNPFEDSA-N 1 2 274.364 1.536 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2c2cc(C)on2)C1=O ZINC000374100774 391147404 /nfs/dbraw/zinc/14/74/04/391147404.db2.gz VHTZTMOJYRZAQN-ZIAGYGMSSA-N 1 2 275.352 1.907 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2c2cc(C)on2)C1=O ZINC000374100774 391147407 /nfs/dbraw/zinc/14/74/07/391147407.db2.gz VHTZTMOJYRZAQN-ZIAGYGMSSA-N 1 2 275.352 1.907 20 30 CDEDLO C=CCN(CC=C)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352491283 391156013 /nfs/dbraw/zinc/15/60/13/391156013.db2.gz PKOBWVVDJXQBCV-UHFFFAOYSA-N 1 2 265.332 1.515 20 30 CDEDLO CNC(=O)c1cccc(C[NH+]2CCC(F)(C#N)CC2)c1 ZINC000352490174 391156205 /nfs/dbraw/zinc/15/62/05/391156205.db2.gz GPRYPGRLEDBRIX-UHFFFAOYSA-N 1 2 275.327 1.874 20 30 CDEDLO Cc1cc(NC(=O)CO[NH+]=C(N)[C@H](C)OCC(C)C)no1 ZINC000266166615 391170953 /nfs/dbraw/zinc/17/09/53/391170953.db2.gz ARFFYVPEPPUCJM-JTQLQIEISA-N 1 2 298.343 1.271 20 30 CDEDLO C[C@@H](CC#N)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266800295 391180607 /nfs/dbraw/zinc/18/06/07/391180607.db2.gz CVOXIBQFALNUKX-ZDUSSCGKSA-N 1 2 287.363 1.551 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1CCN(Cc2cccnc2)C1=O ZINC000491660568 391188108 /nfs/dbraw/zinc/18/81/08/391188108.db2.gz JXEKBPTUJBIITQ-CYBMUJFWSA-N 1 2 272.352 1.230 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1CCN(Cc2cccnc2)C1=O ZINC000491660568 391188112 /nfs/dbraw/zinc/18/81/12/391188112.db2.gz JXEKBPTUJBIITQ-CYBMUJFWSA-N 1 2 272.352 1.230 20 30 CDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C1(C#N)CCCC1 ZINC000376222036 391218879 /nfs/dbraw/zinc/21/88/79/391218879.db2.gz XFLQPOUIDVLVEE-KGLIPLIRSA-N 1 2 291.395 1.392 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1CCCNC(=O)OC(C)(C)C ZINC000491680213 391207704 /nfs/dbraw/zinc/20/77/04/391207704.db2.gz HXGMMKUQMCKQBK-GFCCVEGCSA-N 1 2 268.357 1.235 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1CCCNC(=O)OC(C)(C)C ZINC000491680213 391207707 /nfs/dbraw/zinc/20/77/07/391207707.db2.gz HXGMMKUQMCKQBK-GFCCVEGCSA-N 1 2 268.357 1.235 20 30 CDEDLO O=C1NC[C@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)CCN12 ZINC000175917479 391342004 /nfs/dbraw/zinc/34/20/04/391342004.db2.gz FHNWFVNMSPGERX-AWEZNQCLSA-N 1 2 289.766 1.401 20 30 CDEDLO O=C1NC[C@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)CCN12 ZINC000175917479 391342007 /nfs/dbraw/zinc/34/20/07/391342007.db2.gz FHNWFVNMSPGERX-AWEZNQCLSA-N 1 2 289.766 1.401 20 30 CDEDLO CCN1C[C@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1=O ZINC000328976278 391401276 /nfs/dbraw/zinc/40/12/76/391401276.db2.gz WJPOHJNFQMNPKN-ZJUUUORDSA-N 1 2 276.340 1.092 20 30 CDEDLO CCN1C[C@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1=O ZINC000328976278 391401278 /nfs/dbraw/zinc/40/12/78/391401278.db2.gz WJPOHJNFQMNPKN-ZJUUUORDSA-N 1 2 276.340 1.092 20 30 CDEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1sccc1C#N ZINC000191146914 391446018 /nfs/dbraw/zinc/44/60/18/391446018.db2.gz BOFITRYDTVLDOW-UHFFFAOYSA-N 1 2 279.365 1.693 20 30 CDEDLO C=CC[N@H+](CCOC)CC(=O)Nc1sccc1C#N ZINC000191146914 391446022 /nfs/dbraw/zinc/44/60/22/391446022.db2.gz BOFITRYDTVLDOW-UHFFFAOYSA-N 1 2 279.365 1.693 20 30 CDEDLO COc1ccc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)c(F)c1 ZINC000330616359 391459319 /nfs/dbraw/zinc/45/93/19/391459319.db2.gz DRJAJADHOMAEFO-LLVKDONJSA-N 1 2 296.342 1.860 20 30 CDEDLO COc1ccc(C(=O)NCC[N@H+]2CCOC[C@H]2C)c(F)c1 ZINC000330616359 391459320 /nfs/dbraw/zinc/45/93/20/391459320.db2.gz DRJAJADHOMAEFO-LLVKDONJSA-N 1 2 296.342 1.860 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2Cc3ccc(C(C)=O)cc3C2)C1=O ZINC000411947379 391535348 /nfs/dbraw/zinc/53/53/48/391535348.db2.gz LHILQHXDFPELMO-MRXNPFEDSA-N 1 2 284.359 1.992 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2Cc3ccc(C(C)=O)cc3C2)C1=O ZINC000411947379 391535354 /nfs/dbraw/zinc/53/53/54/391535354.db2.gz LHILQHXDFPELMO-MRXNPFEDSA-N 1 2 284.359 1.992 20 30 CDEDLO C=CC1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000335733370 391553021 /nfs/dbraw/zinc/55/30/21/391553021.db2.gz GKIOAFOCJSZFIA-LBPRGKRZSA-N 1 2 252.358 1.132 20 30 CDEDLO C=CCOc1cccc(C[NH2+]Cc2nnnn2CC2CC2)c1 ZINC000349656404 391570123 /nfs/dbraw/zinc/57/01/23/391570123.db2.gz POFMGXJVOYHGFC-UHFFFAOYSA-N 1 2 299.378 1.938 20 30 CDEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)NCCc1ccccc1 ZINC000358993773 391572230 /nfs/dbraw/zinc/57/22/30/391572230.db2.gz ZUJWYTLVKGVPLE-UONOGXRCSA-N 1 2 273.380 1.825 20 30 CDEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)NCCc1ccccc1 ZINC000358993773 391572233 /nfs/dbraw/zinc/57/22/33/391572233.db2.gz ZUJWYTLVKGVPLE-UONOGXRCSA-N 1 2 273.380 1.825 20 30 CDEDLO C#C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)C(C)C ZINC000281936256 391674783 /nfs/dbraw/zinc/67/47/83/391674783.db2.gz HPMAIWGQIJQAFQ-CYBMUJFWSA-N 1 2 268.320 1.655 20 30 CDEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc(F)cc1 ZINC000361998015 391705997 /nfs/dbraw/zinc/70/59/97/391705997.db2.gz ZSQACAMNYBMPNN-UHFFFAOYSA-N 1 2 266.316 1.899 20 30 CDEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc(F)cc1 ZINC000361998015 391705998 /nfs/dbraw/zinc/70/59/98/391705998.db2.gz ZSQACAMNYBMPNN-UHFFFAOYSA-N 1 2 266.316 1.899 20 30 CDEDLO C=CCCN(C)c1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413253682 391729440 /nfs/dbraw/zinc/72/94/40/391729440.db2.gz ABTYHRBAYPQCTM-CHWSQXEVSA-N 1 2 276.384 1.696 20 30 CDEDLO C=CCCN(C)c1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413253682 391729442 /nfs/dbraw/zinc/72/94/42/391729442.db2.gz ABTYHRBAYPQCTM-CHWSQXEVSA-N 1 2 276.384 1.696 20 30 CDEDLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000329832943 391786793 /nfs/dbraw/zinc/78/67/93/391786793.db2.gz LEAOOMFWRAMFPY-GFCCVEGCSA-N 1 2 294.399 1.339 20 30 CDEDLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000329832943 391786799 /nfs/dbraw/zinc/78/67/99/391786799.db2.gz LEAOOMFWRAMFPY-GFCCVEGCSA-N 1 2 294.399 1.339 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(C)CCCOc1ccc(F)cc1 ZINC000192233618 130398482 /nfs/dbraw/zinc/39/84/82/130398482.db2.gz OFOHLYIWFKNUST-UHFFFAOYSA-N 1 2 292.354 1.618 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N(C)CCCOc1ccc(F)cc1 ZINC000192233618 130398485 /nfs/dbraw/zinc/39/84/85/130398485.db2.gz OFOHLYIWFKNUST-UHFFFAOYSA-N 1 2 292.354 1.618 20 30 CDEDLO N#Cc1nccnc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000263907328 131357639 /nfs/dbraw/zinc/35/76/39/131357639.db2.gz REUZCCNHISBDSG-UHFFFAOYSA-N 1 2 280.335 1.956 20 30 CDEDLO Cc1cc(C[NH+]2CC(OCC(=O)N(C)C)C2)ccc1C#N ZINC000459603939 392492261 /nfs/dbraw/zinc/49/22/61/392492261.db2.gz JCGILMDNJLZPLD-UHFFFAOYSA-N 1 2 287.363 1.156 20 30 CDEDLO C[C@H]([NH2+]Cc1nnnn1C1CC1)c1ccc(C#N)cc1 ZINC000266662270 131763247 /nfs/dbraw/zinc/76/32/47/131763247.db2.gz XQUFQJUAENUSTQ-JTQLQIEISA-N 1 2 268.324 1.730 20 30 CDEDLO Cc1cc(C)c(C#N)c(NCC[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000523733429 392891851 /nfs/dbraw/zinc/89/18/51/392891851.db2.gz IFTNOSYYUVXTKV-ZDUSSCGKSA-N 1 2 274.368 1.703 20 30 CDEDLO Cc1cc(C)c(C#N)c(NCC[N@H+]2CCO[C@@H](C)C2)n1 ZINC000523733429 392891856 /nfs/dbraw/zinc/89/18/56/392891856.db2.gz IFTNOSYYUVXTKV-ZDUSSCGKSA-N 1 2 274.368 1.703 20 30 CDEDLO Cc1cc(NCc2nnc(C(C)C)[nH]2)c(C#N)c[nH+]1 ZINC000425268188 393010934 /nfs/dbraw/zinc/01/09/34/393010934.db2.gz NOXRIGQOBUPHIY-UHFFFAOYSA-N 1 2 256.313 1.537 20 30 CDEDLO Cn1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cn1 ZINC000195103335 393058248 /nfs/dbraw/zinc/05/82/48/393058248.db2.gz RUYOSKZGVAABHB-UHFFFAOYSA-N 1 2 282.351 1.009 20 30 CDEDLO N#Cc1nnc2ccccc2c1N1CC(n2cc[nH+]c2)C1 ZINC000531831468 393064409 /nfs/dbraw/zinc/06/44/09/393064409.db2.gz HYBUGOLQYDPKOL-UHFFFAOYSA-N 1 2 276.303 1.759 20 30 CDEDLO Cc1cc(NS(=O)(=O)c2ccc(C#N)nc2)c(C)c[nH+]1 ZINC000533009208 393079435 /nfs/dbraw/zinc/07/94/35/393079435.db2.gz MSHWDPXLYKHNLA-UHFFFAOYSA-N 1 2 288.332 1.188 20 30 CDEDLO CCn1cnc2c(c1=O)CC[N@H+](Cc1ccc(C#N)cc1)C2 ZINC000281023157 393153824 /nfs/dbraw/zinc/15/38/24/393153824.db2.gz OMZCMXLMTWBHRK-UHFFFAOYSA-N 1 2 294.358 1.693 20 30 CDEDLO CCn1cnc2c(c1=O)CC[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC000281023157 393153833 /nfs/dbraw/zinc/15/38/33/393153833.db2.gz OMZCMXLMTWBHRK-UHFFFAOYSA-N 1 2 294.358 1.693 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000136172053 393316870 /nfs/dbraw/zinc/31/68/70/393316870.db2.gz NOPUNUVIXXFETA-OAHLLOKOSA-N 1 2 272.352 1.670 20 30 CDEDLO CC(=O)c1ccc(C#N)c(N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000275847502 135114778 /nfs/dbraw/zinc/11/47/78/135114778.db2.gz REICRNITQXGKFI-GFCCVEGCSA-N 1 2 287.363 1.264 20 30 CDEDLO Cc1cc(S(=O)(=O)NCCn2cc[nH+]c2)ccc1C#N ZINC000235858520 140237728 /nfs/dbraw/zinc/23/77/28/140237728.db2.gz FQMPIEYWSRHVRD-UHFFFAOYSA-N 1 2 290.348 1.042 20 30 CDEDLO Cc1cc(S(=O)(=O)NCc2[nH+]ccn2C)ccc1C#N ZINC000235873231 140237957 /nfs/dbraw/zinc/23/79/57/140237957.db2.gz XOXXNEFKGCUNKW-UHFFFAOYSA-N 1 2 290.348 1.079 20 30 CDEDLO C=C[C@](C)(O)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000668055323 483549147 /nfs/dbraw/zinc/54/91/47/483549147.db2.gz ZGCXNEQRDRXEMC-NSHDSACASA-N 1 2 291.273 1.341 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCn2c[nH+]cc2C1 ZINC000660578539 413257351 /nfs/dbraw/zinc/25/73/51/413257351.db2.gz MUPLUMQFQCOUKT-CYBMUJFWSA-N 1 2 276.384 1.512 20 30 CDEDLO CC#CC[NH2+]Cc1cn(CCc2ccccn2)nn1 ZINC000656449709 413300881 /nfs/dbraw/zinc/30/08/81/413300881.db2.gz OPIGZNLPPBXDTN-UHFFFAOYSA-N 1 2 255.325 1.029 20 30 CDEDLO CNc1ccc(C#N)cc1NC(=O)CCc1c[nH+]cn1C ZINC000355653697 157168079 /nfs/dbraw/zinc/16/80/79/157168079.db2.gz OZABXGTZOGIMEG-UHFFFAOYSA-N 1 2 283.335 1.905 20 30 CDEDLO CCSCc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)no1 ZINC000575128051 335070181 /nfs/dbraw/zinc/07/01/81/335070181.db2.gz YXQXAOHGXXQFMF-CYBMUJFWSA-N 1 2 296.396 1.501 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCOc3cc(O)ccc3C2)C1=O ZINC000285518967 196311903 /nfs/dbraw/zinc/31/19/03/196311903.db2.gz OCLXMIBGARCAQY-CQSZACIVSA-N 1 2 288.347 1.374 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCOc3cc(O)ccc3C2)C1=O ZINC000285518967 196311905 /nfs/dbraw/zinc/31/19/05/196311905.db2.gz OCLXMIBGARCAQY-CQSZACIVSA-N 1 2 288.347 1.374 20 30 CDEDLO C=CCOCCNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000661280455 413949966 /nfs/dbraw/zinc/94/99/66/413949966.db2.gz JSDDWCCYMGGBNU-GHMZBOCLSA-N 1 2 264.329 1.391 20 30 CDEDLO C=C[C@@H](O)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000665151074 413902779 /nfs/dbraw/zinc/90/27/79/413902779.db2.gz OORMHHBHRLOUSZ-CXOKCQFOSA-N 1 2 286.375 1.391 20 30 CDEDLO C=CCCn1cc(CNc2ccc(CO)c[nH+]2)nn1 ZINC000657469637 414363928 /nfs/dbraw/zinc/36/39/28/414363928.db2.gz ZCVGXIKXTRYSNK-UHFFFAOYSA-N 1 2 259.313 1.354 20 30 CDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](O)C2)cc1Cl ZINC000039490623 174168708 /nfs/dbraw/zinc/16/87/08/174168708.db2.gz SHAVAIWPPRTHCC-GFCCVEGCSA-N 1 2 293.754 1.607 20 30 CDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](O)C2)cc1Cl ZINC000039490623 174168711 /nfs/dbraw/zinc/16/87/11/174168711.db2.gz SHAVAIWPPRTHCC-GFCCVEGCSA-N 1 2 293.754 1.607 20 30 CDEDLO C=CCC[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001588609587 1173088264 /nfs/dbraw/zinc/08/82/64/1173088264.db2.gz QZNDDLUDLUHISD-VIFPVBQESA-N 1 2 259.313 1.799 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@](C)(F)C1)C1CC1 ZINC000347383095 226141953 /nfs/dbraw/zinc/14/19/53/226141953.db2.gz NSVPVIHRFHULDD-STQMWFEESA-N 1 2 253.321 1.229 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@](C)(F)C1)C1CC1 ZINC000347383095 226141956 /nfs/dbraw/zinc/14/19/56/226141956.db2.gz NSVPVIHRFHULDD-STQMWFEESA-N 1 2 253.321 1.229 20 30 CDEDLO Cn1cc([C@H]2CCC[N@@H+]2CC(=O)NC(=O)NC2CC2)cn1 ZINC000329007348 227256516 /nfs/dbraw/zinc/25/65/16/227256516.db2.gz YGDXUMORLMZNTJ-GFCCVEGCSA-N 1 2 291.355 1.590 20 30 CDEDLO Cn1cc([C@H]2CCC[N@H+]2CC(=O)NC(=O)NC2CC2)cn1 ZINC000329007348 227256519 /nfs/dbraw/zinc/25/65/19/227256519.db2.gz YGDXUMORLMZNTJ-GFCCVEGCSA-N 1 2 291.355 1.590 20 30 CDEDLO Cn1ccc(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)n1 ZINC000329036237 227266762 /nfs/dbraw/zinc/26/67/62/227266762.db2.gz MYMVSZUQMPJMKJ-UHFFFAOYSA-N 1 2 288.355 1.437 20 30 CDEDLO Cn1ccc(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)n1 ZINC000329036237 227266767 /nfs/dbraw/zinc/26/67/67/227266767.db2.gz MYMVSZUQMPJMKJ-UHFFFAOYSA-N 1 2 288.355 1.437 20 30 CDEDLO C[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000329047790 227273206 /nfs/dbraw/zinc/27/32/06/227273206.db2.gz JYRQRNLXSUXPOK-AXFHLTTASA-N 1 2 276.340 1.909 20 30 CDEDLO [O-]C(N[C@H]1CCSC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000329967344 228001272 /nfs/dbraw/zinc/00/12/72/228001272.db2.gz WCPPCBLDOCFHLB-ZJUUUORDSA-N 1 2 266.370 1.207 20 30 CDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@H]1CCSC1 ZINC000329967344 228001273 /nfs/dbraw/zinc/00/12/73/228001273.db2.gz WCPPCBLDOCFHLB-ZJUUUORDSA-N 1 2 266.370 1.207 20 30 CDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CCc1ccnn1C ZINC000330023729 228019620 /nfs/dbraw/zinc/01/96/20/228019620.db2.gz JDDLOGSRYSZNCK-GFCCVEGCSA-N 1 2 280.372 1.030 20 30 CDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)CCc1ccnn1C ZINC000330023729 228019623 /nfs/dbraw/zinc/01/96/23/228019623.db2.gz JDDLOGSRYSZNCK-GFCCVEGCSA-N 1 2 280.372 1.030 20 30 CDEDLO N#C[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331813986 228129650 /nfs/dbraw/zinc/12/96/50/228129650.db2.gz UKMGUMKBBKPWJH-YNEHKIRRSA-N 1 2 287.367 1.991 20 30 CDEDLO C=CCNC(=O)[C@@H](C)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000106370663 260138615 /nfs/dbraw/zinc/13/86/15/260138615.db2.gz ZGXZGBOBGANGDH-GFCCVEGCSA-N 1 2 290.411 1.592 20 30 CDEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CCO1 ZINC000408099332 260229856 /nfs/dbraw/zinc/22/98/56/260229856.db2.gz KKLCKKMQGZGZMA-ZIAGYGMSSA-N 1 2 293.411 1.828 20 30 CDEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CCO1 ZINC000408099332 260229858 /nfs/dbraw/zinc/22/98/58/260229858.db2.gz KKLCKKMQGZGZMA-ZIAGYGMSSA-N 1 2 293.411 1.828 20 30 CDEDLO N#CCOc1ccc(CNC(=O)NCCn2cc[nH+]c2)cc1 ZINC000069717713 260262607 /nfs/dbraw/zinc/26/26/07/260262607.db2.gz BAUPNCUPLBFJKJ-UHFFFAOYSA-N 1 2 299.334 1.285 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000491144867 261346228 /nfs/dbraw/zinc/34/62/28/261346228.db2.gz IXOOMDLOZJTNKH-LBPRGKRZSA-N 1 2 274.339 1.630 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCc2cc(F)cc(C)c2C1 ZINC000491144867 261346230 /nfs/dbraw/zinc/34/62/30/261346230.db2.gz IXOOMDLOZJTNKH-LBPRGKRZSA-N 1 2 274.339 1.630 20 30 CDEDLO COC[C@@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)c1ccc(C)o1 ZINC000184729256 262027884 /nfs/dbraw/zinc/02/78/84/262027884.db2.gz ZTKBSSXDYFKXMP-CHWSQXEVSA-N 1 2 293.367 1.626 20 30 CDEDLO C[C@@H](CCC#N)N1CC[NH+](Cc2ccncc2)CC1 ZINC000276274742 263035850 /nfs/dbraw/zinc/03/58/50/263035850.db2.gz DOWKWPDBBZSMRH-AWEZNQCLSA-N 1 2 258.369 1.891 20 30 CDEDLO C=CCC[C@@H](O)C[N@@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000366597144 263068633 /nfs/dbraw/zinc/06/86/33/263068633.db2.gz MAMIDCVYWJZUIC-OAHLLOKOSA-N 1 2 298.390 1.953 20 30 CDEDLO C=CCC[C@@H](O)C[N@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000366597144 263068634 /nfs/dbraw/zinc/06/86/34/263068634.db2.gz MAMIDCVYWJZUIC-OAHLLOKOSA-N 1 2 298.390 1.953 20 30 CDEDLO CO/N=C/C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000283548508 263083390 /nfs/dbraw/zinc/08/33/90/263083390.db2.gz UXAWPTNLJIXSFJ-LUHPIMIVSA-N 1 2 281.381 1.586 20 30 CDEDLO NC(=[NH+]OCc1ccc(Cl)nc1)[C@@H]1CCCO1 ZINC000284041824 263085492 /nfs/dbraw/zinc/08/54/92/263085492.db2.gz IYCRYSUHHCECEC-VIFPVBQESA-N 1 2 255.705 1.703 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000341703590 263346831 /nfs/dbraw/zinc/34/68/31/263346831.db2.gz MMISCNXRQFYMPQ-OCCSQVGLSA-N 1 2 263.341 1.315 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C2(C#N)CCCC2)C1 ZINC000334322131 263581080 /nfs/dbraw/zinc/58/10/80/263581080.db2.gz IOAMSAHCDIIBEH-GFCCVEGCSA-N 1 2 272.352 1.820 20 30 CDEDLO N#Cc1ccsc1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000330834439 264050425 /nfs/dbraw/zinc/05/04/25/264050425.db2.gz KXYNBBPOBTYECX-MWLCHTKSSA-N 1 2 274.349 1.840 20 30 CDEDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000330905711 264074060 /nfs/dbraw/zinc/07/40/60/264074060.db2.gz RXKHMDGAABRHJM-LLVKDONJSA-N 1 2 293.323 1.538 20 30 CDEDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000330905711 264074062 /nfs/dbraw/zinc/07/40/62/264074062.db2.gz RXKHMDGAABRHJM-LLVKDONJSA-N 1 2 293.323 1.538 20 30 CDEDLO CC[C@H](C(=O)N[C@H](C#N)C(C)(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000331225096 264149969 /nfs/dbraw/zinc/14/99/69/264149969.db2.gz ZRIDNFRGEWPBSZ-MGPQQGTHSA-N 1 2 295.427 1.930 20 30 CDEDLO CC[C@H](C(=O)N[C@H](C#N)C(C)(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000331225096 264149972 /nfs/dbraw/zinc/14/99/72/264149972.db2.gz ZRIDNFRGEWPBSZ-MGPQQGTHSA-N 1 2 295.427 1.930 20 30 CDEDLO CC#CCCCC(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000331212491 264163428 /nfs/dbraw/zinc/16/34/28/264163428.db2.gz ZWIZAUSWKKMJAO-ZFWWWQNUSA-N 1 2 289.379 1.950 20 30 CDEDLO CCOc1nccc(C)c1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000331217109 264165103 /nfs/dbraw/zinc/16/51/03/264165103.db2.gz QEVIXUGWVJNSKZ-LBPRGKRZSA-N 1 2 293.367 1.424 20 30 CDEDLO CCOc1nccc(C)c1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000331217109 264165104 /nfs/dbraw/zinc/16/51/04/264165104.db2.gz QEVIXUGWVJNSKZ-LBPRGKRZSA-N 1 2 293.367 1.424 20 30 CDEDLO CNC(=O)[C@@H](C)CN(C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331242484 264176849 /nfs/dbraw/zinc/17/68/49/264176849.db2.gz RDLSJCHOYVFCHS-JTQLQIEISA-N 1 2 292.383 1.866 20 30 CDEDLO CC(=O)c1ccc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1O ZINC000331324838 264190342 /nfs/dbraw/zinc/19/03/42/264190342.db2.gz FYBGZLMBLGOSCC-GFCCVEGCSA-N 1 2 292.335 1.230 20 30 CDEDLO CC(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1O ZINC000331324838 264190344 /nfs/dbraw/zinc/19/03/44/264190344.db2.gz FYBGZLMBLGOSCC-GFCCVEGCSA-N 1 2 292.335 1.230 20 30 CDEDLO C=CC[N@H+](Cc1nc(C2CC2)nn1C)[C@@H](C)COC ZINC000661241259 424076336 /nfs/dbraw/zinc/07/63/36/424076336.db2.gz ZGWRIYDKDZGRBO-NSHDSACASA-N 1 2 264.373 1.715 20 30 CDEDLO C=CC[N@@H+](Cc1nc(C2CC2)nn1C)[C@@H](C)COC ZINC000661241259 424076350 /nfs/dbraw/zinc/07/63/50/424076350.db2.gz ZGWRIYDKDZGRBO-NSHDSACASA-N 1 2 264.373 1.715 20 30 CDEDLO CC1(C#N)CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000335691436 265169391 /nfs/dbraw/zinc/16/93/91/265169391.db2.gz KOXUUCKDZJKSDN-UHFFFAOYSA-N 1 2 266.304 1.858 20 30 CDEDLO C=CCCn1cc(CN(C)[C@@H](C)C[NH+]2CCOCC2)nn1 ZINC000653649646 424392189 /nfs/dbraw/zinc/39/21/89/424392189.db2.gz RFYRWQFZHGGFAH-AWEZNQCLSA-N 1 2 293.415 1.007 20 30 CDEDLO C=CCCn1cc(C[N@@H+](C)[C@@H](C)CN2CCOCC2)nn1 ZINC000653649646 424392193 /nfs/dbraw/zinc/39/21/93/424392193.db2.gz RFYRWQFZHGGFAH-AWEZNQCLSA-N 1 2 293.415 1.007 20 30 CDEDLO C=CCCn1cc(C[N@H+](C)[C@@H](C)CN2CCOCC2)nn1 ZINC000653649646 424392200 /nfs/dbraw/zinc/39/22/00/424392200.db2.gz RFYRWQFZHGGFAH-AWEZNQCLSA-N 1 2 293.415 1.007 20 30 CDEDLO C=C[C@H](O)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000665151075 424443774 /nfs/dbraw/zinc/44/37/74/424443774.db2.gz OORMHHBHRLOUSZ-FSNWXROXSA-N 1 2 286.375 1.391 20 30 CDEDLO C=CCOCCNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000652511677 424511014 /nfs/dbraw/zinc/51/10/14/424511014.db2.gz IQMBYYGUVRAMEW-LBPRGKRZSA-N 1 2 292.383 1.715 20 30 CDEDLO C#CCCCCC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000367383984 266867817 /nfs/dbraw/zinc/86/78/17/266867817.db2.gz KIGCFJCSZOYBTK-ZDUSSCGKSA-N 1 2 259.353 1.930 20 30 CDEDLO N#C[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000117793482 267221495 /nfs/dbraw/zinc/22/14/95/267221495.db2.gz ULWBOISREQDKGN-CQSZACIVSA-N 1 2 282.303 1.237 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000370225635 267300136 /nfs/dbraw/zinc/30/01/36/267300136.db2.gz WRKBKKZMTHNFTD-AEJSXWLSSA-N 1 2 273.174 1.481 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000370225635 267300139 /nfs/dbraw/zinc/30/01/39/267300139.db2.gz WRKBKKZMTHNFTD-AEJSXWLSSA-N 1 2 273.174 1.481 20 30 CDEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2cocc2C)c1C#N ZINC000530261577 267348207 /nfs/dbraw/zinc/34/82/07/267348207.db2.gz NEXCSDKTEJOVBW-UHFFFAOYSA-N 1 2 287.323 1.009 20 30 CDEDLO N#CCc1ccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000371154302 267356332 /nfs/dbraw/zinc/35/63/32/267356332.db2.gz FYLBORZYPLZECH-MRXNPFEDSA-N 1 2 299.374 1.299 20 30 CDEDLO Cc1cc(N(C)CCc2cnccn2)c(C#N)c[nH+]1 ZINC000515348442 268004782 /nfs/dbraw/zinc/00/47/82/268004782.db2.gz VINKTHUWUFRQQY-UHFFFAOYSA-N 1 2 253.309 1.731 20 30 CDEDLO O=C(Nc1nnc2n1CCCC2)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329335189 280397832 /nfs/dbraw/zinc/39/78/32/280397832.db2.gz LCAXCGDQJQNFOY-SNVBAGLBSA-N 1 2 286.339 1.662 20 30 CDEDLO Cn1c[nH+]cc1CCNC(=O)CCc1ccc(C#N)cc1 ZINC000542481370 289545666 /nfs/dbraw/zinc/54/56/66/289545666.db2.gz VBEMWKMDIGUMOA-UHFFFAOYSA-N 1 2 282.347 1.583 20 30 CDEDLO C[C@@H](C(=O)Nc1ccc(F)c(C#N)c1)[NH+]1CC(C)C1 ZINC000561225601 293066826 /nfs/dbraw/zinc/06/68/26/293066826.db2.gz PWSYZRLVJDNWPA-JTQLQIEISA-N 1 2 261.300 1.976 20 30 CDEDLO C[C@@H]1CC[N@H+](C[C@@H]2CNc3c(C#N)cnn3C2)CC1(F)F ZINC000563150623 293291307 /nfs/dbraw/zinc/29/13/07/293291307.db2.gz NUKPQTBSEOUSQM-MNOVXSKESA-N 1 2 295.337 1.774 20 30 CDEDLO C[C@@H]1CC[N@@H+](C[C@@H]2CNc3c(C#N)cnn3C2)CC1(F)F ZINC000563150623 293291308 /nfs/dbraw/zinc/29/13/08/293291308.db2.gz NUKPQTBSEOUSQM-MNOVXSKESA-N 1 2 295.337 1.774 20 30 CDEDLO Cc1c[nH]c(C(C)(C)NC(=O)c2cc(C#N)[nH]c2C)[nH+]1 ZINC000570808188 294312803 /nfs/dbraw/zinc/31/28/03/294312803.db2.gz FPIMFUCGFROKRI-UHFFFAOYSA-N 1 2 271.324 1.891 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1Cc2ccccc2C1 ZINC000563220488 327979579 /nfs/dbraw/zinc/97/95/79/327979579.db2.gz PDBGSZFTJNAHPG-INIZCTEOSA-N 1 2 271.364 1.361 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1cccc(C#N)c1 ZINC000577744575 317396332 /nfs/dbraw/zinc/39/63/32/317396332.db2.gz QCDCKSMTGOWJRA-GFCCVEGCSA-N 1 2 282.347 1.819 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCc1cccc(C#N)c1 ZINC000577744575 317396336 /nfs/dbraw/zinc/39/63/36/317396336.db2.gz QCDCKSMTGOWJRA-GFCCVEGCSA-N 1 2 282.347 1.819 20 30 CDEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000563367612 328059892 /nfs/dbraw/zinc/05/98/92/328059892.db2.gz WGLCTXVDBIUQOO-CMPLNLGQSA-N 1 2 288.351 1.394 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000571153150 328088767 /nfs/dbraw/zinc/08/87/67/328088767.db2.gz APYQAGZQDPQFEN-NEPJUHHUSA-N 1 2 261.325 1.201 20 30 CDEDLO N#CCN1CCC[C@@H](CNC(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000267188839 328174675 /nfs/dbraw/zinc/17/46/75/328174675.db2.gz OWMYWILDJCLKNF-ZDUSSCGKSA-N 1 2 297.362 1.300 20 30 CDEDLO Cc1ncc(CO)c(/C=[NH+]/CC2([C@@H](O)C(C)C)CC2)c1O ZINC000271853074 328198120 /nfs/dbraw/zinc/19/81/20/328198120.db2.gz WSDAZQZGYKTBPX-NAPSYAPSSA-N 1 2 292.379 1.804 20 30 CDEDLO CN(Cc1cccs1)C(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000284603677 328246331 /nfs/dbraw/zinc/24/63/31/328246331.db2.gz YPRDEKOEIXVCEB-LLVKDONJSA-N 1 2 297.380 1.174 20 30 CDEDLO C=C[C@@H](CC(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000122029935 328389194 /nfs/dbraw/zinc/38/91/94/328389194.db2.gz NIXXQRZDFZMBGS-HNNXBMFYSA-N 1 2 288.391 1.795 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)C=Cc1ccc(C#N)cc1 ZINC000380218431 323611732 /nfs/dbraw/zinc/61/17/32/323611732.db2.gz UOXOETPSQKQHTR-SREVYHEPSA-N 1 2 266.304 1.919 20 30 CDEDLO Cn1nnc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)n1 ZINC000583374603 325161917 /nfs/dbraw/zinc/16/19/17/325161917.db2.gz IVRKOJHTYRRQEU-AWEZNQCLSA-N 1 2 282.351 1.639 20 30 CDEDLO COc1ccc(OC)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000562322679 327470263 /nfs/dbraw/zinc/47/02/63/327470263.db2.gz BXQHFEBLJAEKDS-HNNXBMFYSA-N 1 2 291.351 1.277 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COCCc1ccccc1 ZINC000569814653 327549244 /nfs/dbraw/zinc/54/92/44/327549244.db2.gz HZMHMATUTWJPKO-INIZCTEOSA-N 1 2 289.379 1.206 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCCOc1cccc(C)c1 ZINC000563969819 328842091 /nfs/dbraw/zinc/84/20/91/328842091.db2.gz FKMJKTZLCREPJC-AWEZNQCLSA-N 1 2 289.379 1.772 20 30 CDEDLO C#C[C@H](NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C(C)C ZINC000378075893 329039030 /nfs/dbraw/zinc/03/90/30/329039030.db2.gz RECSTVTVUXVSSU-QWRGUYRKSA-N 1 2 260.341 1.224 20 30 CDEDLO C#C[C@H](NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C(C)C ZINC000378075893 329039031 /nfs/dbraw/zinc/03/90/31/329039031.db2.gz RECSTVTVUXVSSU-QWRGUYRKSA-N 1 2 260.341 1.224 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1cccc(C)c1 ZINC000584418459 329463982 /nfs/dbraw/zinc/46/39/82/329463982.db2.gz BMMFUFRVPFXDPL-AWEZNQCLSA-N 1 2 259.353 1.893 20 30 CDEDLO N#CC1(CNC(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000572390884 330052860 /nfs/dbraw/zinc/05/28/60/330052860.db2.gz FWPGDUOKYXVHIG-UHFFFAOYSA-N 1 2 299.374 1.552 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2sc(C)nc2C)nn1 ZINC000424170736 330310797 /nfs/dbraw/zinc/31/07/97/330310797.db2.gz KKBFQRABWUWXIH-UHFFFAOYSA-N 1 2 263.370 1.827 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2ccc(OC)nc2)nn1 ZINC000424173075 330313623 /nfs/dbraw/zinc/31/36/23/330313623.db2.gz OWNQCDLETXLABJ-UHFFFAOYSA-N 1 2 259.313 1.158 20 30 CDEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cnc(C)nc2C)nn1 ZINC000424293614 330335506 /nfs/dbraw/zinc/33/55/06/330335506.db2.gz IWZAGPARCGKNEP-JTQLQIEISA-N 1 2 272.356 1.722 20 30 CDEDLO N#CCCN(C(=O)C[N@H+]1CC[C@H](F)C1)c1ccccc1 ZINC000451180664 331018992 /nfs/dbraw/zinc/01/89/92/331018992.db2.gz DCGXGKNLFHBZND-ZDUSSCGKSA-N 1 2 275.327 1.977 20 30 CDEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@H](F)C1)c1ccccc1 ZINC000451180664 331018993 /nfs/dbraw/zinc/01/89/93/331018993.db2.gz DCGXGKNLFHBZND-ZDUSSCGKSA-N 1 2 275.327 1.977 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456210735 331186506 /nfs/dbraw/zinc/18/65/06/331186506.db2.gz ZQMXOJJEMSWLRP-BETUJISGSA-N 1 2 266.385 1.568 20 30 CDEDLO C=CCC(C)(C)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456210735 331186507 /nfs/dbraw/zinc/18/65/07/331186507.db2.gz ZQMXOJJEMSWLRP-BETUJISGSA-N 1 2 266.385 1.568 20 30 CDEDLO CC#CCCCC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456210635 331186553 /nfs/dbraw/zinc/18/65/53/331186553.db2.gz YWLZBOOEHKRSAZ-OKILXGFUSA-N 1 2 264.369 1.159 20 30 CDEDLO CC#CCCCC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456210635 331186554 /nfs/dbraw/zinc/18/65/54/331186554.db2.gz YWLZBOOEHKRSAZ-OKILXGFUSA-N 1 2 264.369 1.159 20 30 CDEDLO C=CCC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)C(=O)OCC ZINC000456637114 331197955 /nfs/dbraw/zinc/19/79/55/331197955.db2.gz YTFNVPYORMPPPQ-JTQLQIEISA-N 1 2 265.313 1.346 20 30 CDEDLO C=CCCCS(=O)(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000489674497 332064384 /nfs/dbraw/zinc/06/43/84/332064384.db2.gz DKXOQRFVJUQYBL-LBPRGKRZSA-N 1 2 283.397 1.505 20 30 CDEDLO C=CCCCS(=O)(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000489674496 332064427 /nfs/dbraw/zinc/06/44/27/332064427.db2.gz DKXOQRFVJUQYBL-GFCCVEGCSA-N 1 2 283.397 1.505 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000490655924 332100409 /nfs/dbraw/zinc/10/04/09/332100409.db2.gz DZFSQGWPCWCPLU-QWRGUYRKSA-N 1 2 292.301 1.168 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000490655924 332100411 /nfs/dbraw/zinc/10/04/11/332100411.db2.gz DZFSQGWPCWCPLU-QWRGUYRKSA-N 1 2 292.301 1.168 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(C)c2)CC1 ZINC000490759322 332112668 /nfs/dbraw/zinc/11/26/68/332112668.db2.gz CHTUDRXLTCZXOZ-UHFFFAOYSA-N 1 2 271.364 1.184 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)CNc2c(C)cccc2F)CC1 ZINC000490924468 332130038 /nfs/dbraw/zinc/13/00/38/332130038.db2.gz PMOKWISLOYUEON-UHFFFAOYSA-N 1 2 289.354 1.323 20 30 CDEDLO C#C[C@H](NC(=O)CCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000491381005 332201016 /nfs/dbraw/zinc/20/10/16/332201016.db2.gz CEJQDVLZEWJDDN-AWEZNQCLSA-N 1 2 271.295 1.903 20 30 CDEDLO C#C[C@H]1COCCN1Cc1cn2cc(C)ccc2[nH+]1 ZINC000491526034 332230473 /nfs/dbraw/zinc/23/04/73/332230473.db2.gz WNUHERHRZPIWNG-AWEZNQCLSA-N 1 2 255.321 1.477 20 30 CDEDLO C#C[C@H](C)N(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000491546419 332235433 /nfs/dbraw/zinc/23/54/33/332235433.db2.gz VTGBGGKQOLUKHA-DOTOQJQBSA-N 1 2 299.418 1.455 20 30 CDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000491566414 332239004 /nfs/dbraw/zinc/23/90/04/332239004.db2.gz GCKLTDOLPLQFLC-NVXWUHKLSA-N 1 2 298.386 1.483 20 30 CDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000491566414 332239005 /nfs/dbraw/zinc/23/90/05/332239005.db2.gz GCKLTDOLPLQFLC-NVXWUHKLSA-N 1 2 298.386 1.483 20 30 CDEDLO C#C[C@H](C)[N@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000491658016 332269201 /nfs/dbraw/zinc/26/92/01/332269201.db2.gz ANAXIFNZFYRYPT-NSHDSACASA-N 1 2 255.321 1.387 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000491658016 332269202 /nfs/dbraw/zinc/26/92/02/332269202.db2.gz ANAXIFNZFYRYPT-NSHDSACASA-N 1 2 255.321 1.387 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@@H](CCCC)C1=O ZINC000491665843 332274435 /nfs/dbraw/zinc/27/44/35/332274435.db2.gz PQIRKMRFVVPTPF-QWRGUYRKSA-N 1 2 251.330 1.008 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@@H](CCCC)C1=O ZINC000491665843 332274437 /nfs/dbraw/zinc/27/44/37/332274437.db2.gz PQIRKMRFVVPTPF-QWRGUYRKSA-N 1 2 251.330 1.008 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)N[C@H](Cc1ccccc1)C(C)=O ZINC000491673778 332279874 /nfs/dbraw/zinc/27/98/74/332279874.db2.gz JIRFYMFPEFDGSW-XJKSGUPXSA-N 1 2 286.375 1.256 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N[C@H](Cc1ccccc1)C(C)=O ZINC000491673778 332279875 /nfs/dbraw/zinc/27/98/75/332279875.db2.gz JIRFYMFPEFDGSW-XJKSGUPXSA-N 1 2 286.375 1.256 20 30 CDEDLO C#CC[N@@H+](CCSC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000491683183 332285650 /nfs/dbraw/zinc/28/56/50/332285650.db2.gz WVTZQMDKKASEDL-LBPRGKRZSA-N 1 2 275.439 1.250 20 30 CDEDLO C#CC[N@H+](CCSC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000491683183 332285651 /nfs/dbraw/zinc/28/56/51/332285651.db2.gz WVTZQMDKKASEDL-LBPRGKRZSA-N 1 2 275.439 1.250 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000491783207 332346611 /nfs/dbraw/zinc/34/66/11/332346611.db2.gz QNFOKXSRLOPUCO-LBPRGKRZSA-N 1 2 252.358 1.015 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccn3C)n2CC)CC1 ZINC000491786035 332348814 /nfs/dbraw/zinc/34/88/14/332348814.db2.gz OELDBTCYCBJDSN-UHFFFAOYSA-N 1 2 298.394 1.059 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1CCOCCOc1ccccc1 ZINC000491790419 332352413 /nfs/dbraw/zinc/35/24/13/332352413.db2.gz ZENPQQTZGTVTOO-HNNXBMFYSA-N 1 2 275.348 1.416 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1CCOCCOc1ccccc1 ZINC000491790419 332352415 /nfs/dbraw/zinc/35/24/15/332352415.db2.gz ZENPQQTZGTVTOO-HNNXBMFYSA-N 1 2 275.348 1.416 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000491804000 332357921 /nfs/dbraw/zinc/35/79/21/332357921.db2.gz KFESSHPCWRPABJ-NSHDSACASA-N 1 2 275.308 1.511 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000491804000 332357922 /nfs/dbraw/zinc/35/79/22/332357922.db2.gz KFESSHPCWRPABJ-NSHDSACASA-N 1 2 275.308 1.511 20 30 CDEDLO C#C[C@H](CC)NC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000491813188 332365103 /nfs/dbraw/zinc/36/51/03/332365103.db2.gz ADZBDUFFGZMIQX-GFCCVEGCSA-N 1 2 273.336 1.473 20 30 CDEDLO N#CCCC1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493120793 332427161 /nfs/dbraw/zinc/42/71/61/332427161.db2.gz QZEISLQMYJHIAH-ONEGZZNKSA-N 1 2 258.325 1.965 20 30 CDEDLO C#CCN(C(=O)NCCCn1cc[nH+]c1)C1CCCC1 ZINC000176930396 333050659 /nfs/dbraw/zinc/05/06/59/333050659.db2.gz QSXRSBXMYKOITE-UHFFFAOYSA-N 1 2 274.368 1.861 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1cnc(C)s1 ZINC000077185420 334097870 /nfs/dbraw/zinc/09/78/70/334097870.db2.gz PYGKZLVUBAHQDH-UHFFFAOYSA-N 1 2 280.397 1.646 20 30 CDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1cnc(C)s1 ZINC000077185420 334097871 /nfs/dbraw/zinc/09/78/71/334097871.db2.gz PYGKZLVUBAHQDH-UHFFFAOYSA-N 1 2 280.397 1.646 20 30 CDEDLO CCc1oc(C[NH2+]C[C@@H](C)C#N)cc1C(=O)OC ZINC000549378900 334191769 /nfs/dbraw/zinc/19/17/69/334191769.db2.gz XQCMHBOBUOWIOI-VIFPVBQESA-N 1 2 250.298 1.878 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000569073845 334854237 /nfs/dbraw/zinc/85/42/37/334854237.db2.gz DZQHGVOULKVUNI-OLZOCXBDSA-N 1 2 271.320 1.542 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2ccncc2s1 ZINC000576403323 335199500 /nfs/dbraw/zinc/19/95/00/335199500.db2.gz UAWOIFSIIOHMAH-AWEZNQCLSA-N 1 2 288.376 1.870 20 30 CDEDLO C[C@@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000576411931 335200993 /nfs/dbraw/zinc/20/09/93/335200993.db2.gz KARAHBVYJNDORW-RISCZKNCSA-N 1 2 293.330 1.841 20 30 CDEDLO Cc1ccc2oc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc2n1 ZINC000581946781 336174879 /nfs/dbraw/zinc/17/48/79/336174879.db2.gz CAXGINCAZQDQEA-HNNXBMFYSA-N 1 2 286.335 1.710 20 30 CDEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000582006638 336189872 /nfs/dbraw/zinc/18/98/72/336189872.db2.gz PSTPUJPVNVIIOJ-CQSZACIVSA-N 1 2 290.323 1.477 20 30 CDEDLO CCC#C[C@@H](C)[NH+]1CCN(CC(=O)N2CCCCC2)CC1 ZINC000677047371 482519155 /nfs/dbraw/zinc/51/91/55/482519155.db2.gz XLXLRXHRQHZRNC-MRXNPFEDSA-N 1 2 291.439 1.418 20 30 CDEDLO CCC#C[C@@H](C)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000677047371 482519158 /nfs/dbraw/zinc/51/91/58/482519158.db2.gz XLXLRXHRQHZRNC-MRXNPFEDSA-N 1 2 291.439 1.418 20 30 CDEDLO COCC#CC[N@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000677478778 482681791 /nfs/dbraw/zinc/68/17/91/482681791.db2.gz IEGJCWROSSMRCC-CYBMUJFWSA-N 1 2 260.337 1.185 20 30 CDEDLO COCC#CC[N@@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000677478778 482681794 /nfs/dbraw/zinc/68/17/94/482681794.db2.gz IEGJCWROSSMRCC-CYBMUJFWSA-N 1 2 260.337 1.185 20 30 CDEDLO C=CCCC(=O)NC[C@H](C)[NH2+][C@@H](C)c1nc(CC)no1 ZINC001752864365 1160776548 /nfs/dbraw/zinc/77/65/48/1160776548.db2.gz PVZUWXCLHAOVGD-QWRGUYRKSA-N 1 2 280.372 1.754 20 30 CDEDLO C=C(Cl)CN1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001030976245 1161113312 /nfs/dbraw/zinc/11/33/12/1161113312.db2.gz ZZHNAZDRASCMBB-VXGBXAGGSA-N 1 2 294.786 1.077 20 30 CDEDLO Cc1nc(N[C@H]2C[C@@H](C)N(C(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001123225474 1161171348 /nfs/dbraw/zinc/17/13/48/1161171348.db2.gz YJASAGPJOSNBOR-OCCSQVGLSA-N 1 2 286.379 1.846 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001038535393 1161423290 /nfs/dbraw/zinc/42/32/90/1161423290.db2.gz BCQRVOIUNLIRDL-ZQDZILKHSA-N 1 2 260.381 1.636 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001038535393 1161423295 /nfs/dbraw/zinc/42/32/95/1161423295.db2.gz BCQRVOIUNLIRDL-ZQDZILKHSA-N 1 2 260.381 1.636 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(CC)CCC2)C1 ZINC001108144146 1161515690 /nfs/dbraw/zinc/51/56/90/1161515690.db2.gz KKXUWIMRAFIDGR-MRXNPFEDSA-N 1 2 292.423 1.797 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2(CC)CCC2)C1 ZINC001108144146 1161515696 /nfs/dbraw/zinc/51/56/96/1161515696.db2.gz KKXUWIMRAFIDGR-MRXNPFEDSA-N 1 2 292.423 1.797 20 30 CDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC(C)(C)C#N ZINC000355074418 534097167 /nfs/dbraw/zinc/09/71/67/534097167.db2.gz CQBCIQMVPSXWAF-QWHCGFSZSA-N 1 2 294.399 1.041 20 30 CDEDLO CN(C)c1[nH+]cccc1NC(=O)c1c[nH]c(C#N)c1 ZINC000156001966 522374675 /nfs/dbraw/zinc/37/46/75/522374675.db2.gz COOPBBJVQFWHJJ-UHFFFAOYSA-N 1 2 255.281 1.600 20 30 CDEDLO C=C(C)C[N@@H+](CC(=O)N(C)CC)Cc1ccc(CO)o1 ZINC000352806799 526510258 /nfs/dbraw/zinc/51/02/58/526510258.db2.gz VPNLIVBCRSNDDD-UHFFFAOYSA-N 1 2 280.368 1.628 20 30 CDEDLO C=C(C)C[N@H+](CC(=O)N(C)CC)Cc1ccc(CO)o1 ZINC000352806799 526510259 /nfs/dbraw/zinc/51/02/59/526510259.db2.gz VPNLIVBCRSNDDD-UHFFFAOYSA-N 1 2 280.368 1.628 20 30 CDEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCN(C)C1=O ZINC000352813727 526561908 /nfs/dbraw/zinc/56/19/08/526561908.db2.gz FAFXYSRBQFSLLG-AWEZNQCLSA-N 1 2 278.352 1.381 20 30 CDEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCN(C)C1=O ZINC000352813727 526561913 /nfs/dbraw/zinc/56/19/13/526561913.db2.gz FAFXYSRBQFSLLG-AWEZNQCLSA-N 1 2 278.352 1.381 20 30 CDEDLO C=C(C)COCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000354949685 526650486 /nfs/dbraw/zinc/65/04/86/526650486.db2.gz KZSJJNIVUKGKFX-OAHLLOKOSA-N 1 2 296.411 1.339 20 30 CDEDLO C=C(C)COCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000354949685 526650492 /nfs/dbraw/zinc/65/04/92/526650492.db2.gz KZSJJNIVUKGKFX-OAHLLOKOSA-N 1 2 296.411 1.339 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000330271793 526836268 /nfs/dbraw/zinc/83/62/68/526836268.db2.gz WNQRXQNJYVSYGK-MGPQQGTHSA-N 1 2 282.384 1.645 20 30 CDEDLO C=CC[C@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000347325115 527200693 /nfs/dbraw/zinc/20/06/93/527200693.db2.gz VSNHRHNJWIJUIL-NEPJUHHUSA-N 1 2 278.356 1.107 20 30 CDEDLO C=C[C@H](C)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000355041581 527566341 /nfs/dbraw/zinc/56/63/41/527566341.db2.gz RFBPPXXUZHRGSX-WCQYABFASA-N 1 2 292.383 1.174 20 30 CDEDLO C=C[C@H](C)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000355041581 527566347 /nfs/dbraw/zinc/56/63/47/527566347.db2.gz RFBPPXXUZHRGSX-WCQYABFASA-N 1 2 292.383 1.174 20 30 CDEDLO CC[C@@H]1CC[C@H](C(=O)NCC2([NH+]3CCOCC3)CC2)O1 ZINC000329917475 529338570 /nfs/dbraw/zinc/33/85/70/529338570.db2.gz QVOLYTZTMHPWQW-CHWSQXEVSA-N 1 2 282.384 1.765 20 30 CDEDLO Cc1cn2cc(NC(=O)N3C[C@H](F)C[C@@H]3CO)ccc2[nH+]1 ZINC000328599310 538238542 /nfs/dbraw/zinc/23/85/42/538238542.db2.gz BWRMDPCFEJOLSR-ZYHUDNBSSA-N 1 2 292.314 1.593 20 30 CDEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)NC1CCOCC1 ZINC000328624348 538241886 /nfs/dbraw/zinc/24/18/86/538241886.db2.gz ZNOGQHRXNXEXAY-NSHDSACASA-N 1 2 278.356 1.443 20 30 CDEDLO Cc1noc(C)c1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000329550846 538581569 /nfs/dbraw/zinc/58/15/69/538581569.db2.gz AIBVGNMTDMTJAB-GFCCVEGCSA-N 1 2 294.355 1.243 20 30 CDEDLO Cn1cc(N2CCC[C@H]([NH2+][C@H]3CCC[C@H]3C#N)C2=O)cn1 ZINC000329615643 538595566 /nfs/dbraw/zinc/59/55/66/538595566.db2.gz SHBVLTWWIJTUSN-UBHSHLNASA-N 1 2 287.367 1.197 20 30 CDEDLO Cc1cccn2cc(CC(=O)n3ncc(C#N)c3N)[nH+]c12 ZINC000725890837 574457197 /nfs/dbraw/zinc/45/71/97/574457197.db2.gz DUBVUCQTFSJFRX-UHFFFAOYSA-N 1 2 280.291 1.176 20 30 CDEDLO C=C(C)CN(CC)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726253261 574495155 /nfs/dbraw/zinc/49/51/55/574495155.db2.gz AIKHQPAELFEMQJ-CYBMUJFWSA-N 1 2 269.389 1.315 20 30 CDEDLO C=C(C)CN(CC)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726253261 574495157 /nfs/dbraw/zinc/49/51/57/574495157.db2.gz AIKHQPAELFEMQJ-CYBMUJFWSA-N 1 2 269.389 1.315 20 30 CDEDLO C=CCN(C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)C(C)C ZINC000726252730 574495185 /nfs/dbraw/zinc/49/51/85/574495185.db2.gz KABCOJMOGUQUNI-ZDUSSCGKSA-N 1 2 269.389 1.313 20 30 CDEDLO C=CCN(C(=O)NCC[N@H+]1CCO[C@@H](C)C1)C(C)C ZINC000726252730 574495187 /nfs/dbraw/zinc/49/51/87/574495187.db2.gz KABCOJMOGUQUNI-ZDUSSCGKSA-N 1 2 269.389 1.313 20 30 CDEDLO Cc1ccc(N[NH+]=Cc2cnc(N3CCCC3)nc2)nn1 ZINC000729935872 574831489 /nfs/dbraw/zinc/83/14/89/574831489.db2.gz UKVHYOZNTPVHGP-UHFFFAOYSA-N 1 2 283.339 1.621 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)NCC)c1 ZINC000730096813 574849040 /nfs/dbraw/zinc/84/90/40/574849040.db2.gz YDFALHVUURBNTN-HNNXBMFYSA-N 1 2 299.374 1.472 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)NCC)c1 ZINC000730096813 574849041 /nfs/dbraw/zinc/84/90/41/574849041.db2.gz YDFALHVUURBNTN-HNNXBMFYSA-N 1 2 299.374 1.472 20 30 CDEDLO C[C@H]1CC(N=Nc2ccccc2S(C)(=O)=O)C[N@@H+]1C ZINC000761810282 574988935 /nfs/dbraw/zinc/98/89/35/574988935.db2.gz REKUIMUEUPTOEP-JTQLQIEISA-N 1 2 281.381 1.582 20 30 CDEDLO C[C@H]1CC(N=Nc2ccccc2S(C)(=O)=O)C[N@H+]1C ZINC000761810282 574988937 /nfs/dbraw/zinc/98/89/37/574988937.db2.gz REKUIMUEUPTOEP-JTQLQIEISA-N 1 2 281.381 1.582 20 30 CDEDLO C=CCn1nnn(C[N@@H+](C)C[C@@H](C)CC)c1=S ZINC000732181865 575082460 /nfs/dbraw/zinc/08/24/60/575082460.db2.gz BGEOKKSKBSUFQK-JTQLQIEISA-N 1 2 255.391 1.930 20 30 CDEDLO C=CCn1nnn(C[N@H+](C)C[C@@H](C)CC)c1=S ZINC000732181865 575082463 /nfs/dbraw/zinc/08/24/63/575082463.db2.gz BGEOKKSKBSUFQK-JTQLQIEISA-N 1 2 255.391 1.930 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C1)C1CC1 ZINC000761044393 576537289 /nfs/dbraw/zinc/53/72/89/576537289.db2.gz KBTJAJVYXYNQDR-JQWIXIFHSA-N 1 2 289.301 1.679 20 30 CDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C1)C1CC1 ZINC000761044393 576537290 /nfs/dbraw/zinc/53/72/90/576537290.db2.gz KBTJAJVYXYNQDR-JQWIXIFHSA-N 1 2 289.301 1.679 20 30 CDEDLO N#CCCNC(=O)C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000735495098 575473462 /nfs/dbraw/zinc/47/34/62/575473462.db2.gz QHDAEXNZCHRUFP-CQSZACIVSA-N 1 2 289.404 1.806 20 30 CDEDLO N#CCCNC(=O)C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000735495098 575473463 /nfs/dbraw/zinc/47/34/63/575473463.db2.gz QHDAEXNZCHRUFP-CQSZACIVSA-N 1 2 289.404 1.806 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(OC)c1F ZINC000771522879 575586730 /nfs/dbraw/zinc/58/67/30/575586730.db2.gz KYMPIUNKNIQSQE-LBPRGKRZSA-N 1 2 276.311 1.870 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(OC)c1F ZINC000771522879 575586731 /nfs/dbraw/zinc/58/67/31/575586731.db2.gz KYMPIUNKNIQSQE-LBPRGKRZSA-N 1 2 276.311 1.870 20 30 CDEDLO C#CC[NH+]1CCC(C(=O)O[C@H]2Cc3ccccc3C2=O)CC1 ZINC000772113354 575661800 /nfs/dbraw/zinc/66/18/00/575661800.db2.gz MRYCVJPQJXKVHL-INIZCTEOSA-N 1 2 297.354 1.682 20 30 CDEDLO N#Cc1cc(NCc2ccc(-n3cc[nH+]c3)nc2)ncn1 ZINC000764765415 575945312 /nfs/dbraw/zinc/94/53/12/575945312.db2.gz SYQBQJUNKYKQFH-UHFFFAOYSA-N 1 2 277.291 1.541 20 30 CDEDLO N#CCC[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737695009 576008029 /nfs/dbraw/zinc/00/80/29/576008029.db2.gz SDAFIIQGWQNSDY-UHFFFAOYSA-N 1 2 298.350 1.624 20 30 CDEDLO CCC(CC)[C@H](C(=O)NC1=NO[C@@H](C)C1)[NH+]1CCOCC1 ZINC000765375246 576012942 /nfs/dbraw/zinc/01/29/42/576012942.db2.gz GMMFHZFXURBZBT-SMDDNHRTSA-N 1 2 297.399 1.362 20 30 CDEDLO O=C([O-])N1C/C(=C/c2[nH]cc[nH+]2)C(=O)/C(=C\c2[nH]cc[nH+]2)C1 ZINC000740307031 576459900 /nfs/dbraw/zinc/45/99/00/576459900.db2.gz HEHWDCUJSXEQLA-OZDSWYPASA-N 1 2 299.290 1.163 20 30 CDEDLO C#CCOCCC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000760620868 576497580 /nfs/dbraw/zinc/49/75/80/576497580.db2.gz AOHJESBLYIMOAH-UHFFFAOYSA-N 1 2 291.395 1.724 20 30 CDEDLO C#CCNC(=O)C[NH+]1CCC(=Cc2cccc(OC)c2)CC1 ZINC000760939720 576527090 /nfs/dbraw/zinc/52/70/90/576527090.db2.gz LHUITTBKTDJZHZ-UHFFFAOYSA-N 1 2 298.386 1.924 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)[C@H](C)C(CC)CC)CC1 ZINC000761744172 576591544 /nfs/dbraw/zinc/59/15/44/576591544.db2.gz WTPARACZAXVTTM-CYBMUJFWSA-N 1 2 250.386 1.836 20 30 CDEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)[C@@H]1CCCO1 ZINC000761858333 576598714 /nfs/dbraw/zinc/59/87/14/576598714.db2.gz UUJNNVAQELHVFI-NSHDSACASA-N 1 2 272.312 1.629 20 30 CDEDLO CCOC(=O)[C@H](C)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000761871975 576600929 /nfs/dbraw/zinc/60/09/29/576600929.db2.gz BCEZRLMBPZDKBS-LBPRGKRZSA-N 1 2 276.336 1.972 20 30 CDEDLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000761871975 576600930 /nfs/dbraw/zinc/60/09/30/576600930.db2.gz BCEZRLMBPZDKBS-LBPRGKRZSA-N 1 2 276.336 1.972 20 30 CDEDLO Cc1cc(C(N)=[NH+]OC[C@H]2CC3(CC3)C(=O)O2)ccc1F ZINC000762205617 576628888 /nfs/dbraw/zinc/62/88/88/576628888.db2.gz IWIHVPFHZCXHLT-LLVKDONJSA-N 1 2 292.310 1.867 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(O)(CCC)CCC ZINC000743714915 576652415 /nfs/dbraw/zinc/65/24/15/576652415.db2.gz ANCMHNSCCWZURM-AWEZNQCLSA-N 1 2 280.412 1.532 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(O)(CCC)CCC ZINC000743714915 576652418 /nfs/dbraw/zinc/65/24/18/576652418.db2.gz ANCMHNSCCWZURM-AWEZNQCLSA-N 1 2 280.412 1.532 20 30 CDEDLO N#CCOc1ccc(CC(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000746242958 576765280 /nfs/dbraw/zinc/76/52/80/576765280.db2.gz PDOMLOXWIOTCFS-UHFFFAOYSA-N 1 2 284.319 1.213 20 30 CDEDLO C[C@H]1CC(=NNS(=O)(=O)c2ccccc2)C[N@@H+]1C1CC1 ZINC000753955359 576869633 /nfs/dbraw/zinc/86/96/33/576869633.db2.gz MABOBSFFBAETIB-NSHDSACASA-N 1 2 293.392 1.578 20 30 CDEDLO C[C@H]1CC(=NNS(=O)(=O)c2ccccc2)C[N@H+]1C1CC1 ZINC000753955359 576869635 /nfs/dbraw/zinc/86/96/35/576869635.db2.gz MABOBSFFBAETIB-NSHDSACASA-N 1 2 293.392 1.578 20 30 CDEDLO CC[N@H+](CCC#N)Cc1ccc(OCC(N)=O)cc1 ZINC000747960470 576890173 /nfs/dbraw/zinc/89/01/73/576890173.db2.gz HFXOABOULQQTDR-UHFFFAOYSA-N 1 2 261.325 1.286 20 30 CDEDLO CC[N@@H+](CCC#N)Cc1ccc(OCC(N)=O)cc1 ZINC000747960470 576890175 /nfs/dbraw/zinc/89/01/75/576890175.db2.gz HFXOABOULQQTDR-UHFFFAOYSA-N 1 2 261.325 1.286 20 30 CDEDLO COc1ccc(NC(=S)NN=Cc2c[nH+]cn2C)cn1 ZINC000755701241 576956348 /nfs/dbraw/zinc/95/63/48/576956348.db2.gz WYEXNQXBGURCID-UHFFFAOYSA-N 1 2 290.352 1.144 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)C[C@@H](OCC)C(=C)C)CC1 ZINC000755901893 576966603 /nfs/dbraw/zinc/96/66/03/576966603.db2.gz DHBIIRBLDIIMHG-CQSZACIVSA-N 1 2 264.369 1.135 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]NCc1cccc(Cl)c1 ZINC000756828010 577006700 /nfs/dbraw/zinc/00/67/00/577006700.db2.gz VPSCRZGBIBXOMU-UHFFFAOYSA-N 1 2 291.742 1.845 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)C2(CC(C)C)CCC2)CC1 ZINC000756936916 577015693 /nfs/dbraw/zinc/01/56/93/577015693.db2.gz OLJNONXYUICQIA-UHFFFAOYSA-N 1 2 262.397 1.980 20 30 CDEDLO COc1cccc(O)c1/C=N/CC[N@@H+]1CCO[C@@H](C)C1 ZINC000750950446 577019050 /nfs/dbraw/zinc/01/90/50/577019050.db2.gz VPQINPPMEHVHPT-SEJMYLSOSA-N 1 2 278.352 1.540 20 30 CDEDLO COc1cccc(O)c1/C=N/CC[N@H+]1CCO[C@@H](C)C1 ZINC000750950446 577019052 /nfs/dbraw/zinc/01/90/52/577019052.db2.gz VPQINPPMEHVHPT-SEJMYLSOSA-N 1 2 278.352 1.540 20 30 CDEDLO COCC1(C)CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758248778 577090989 /nfs/dbraw/zinc/09/09/89/577090989.db2.gz MWCMHLKBIHAMFW-UHFFFAOYSA-N 1 2 275.352 1.426 20 30 CDEDLO C[C@@H]1COc2ccccc2C[N@@H+]1Cn1cccc(C#N)c1=O ZINC000758250668 577091337 /nfs/dbraw/zinc/09/13/37/577091337.db2.gz UYMWCRDXVYOVOM-CYBMUJFWSA-N 1 2 295.342 1.961 20 30 CDEDLO C[C@@H]1COc2ccccc2C[N@H+]1Cn1cccc(C#N)c1=O ZINC000758250668 577091338 /nfs/dbraw/zinc/09/13/38/577091338.db2.gz UYMWCRDXVYOVOM-CYBMUJFWSA-N 1 2 295.342 1.961 20 30 CDEDLO C[C@H]1C[N@H+](C)CC1=NNS(=O)(=O)Cc1ccccc1 ZINC000752163974 577091640 /nfs/dbraw/zinc/09/16/40/577091640.db2.gz HRCJXZZEAOEQAR-NSHDSACASA-N 1 2 281.381 1.044 20 30 CDEDLO C[C@H]1C[N@@H+](C)CC1=NNS(=O)(=O)Cc1ccccc1 ZINC000752163974 577091641 /nfs/dbraw/zinc/09/16/41/577091641.db2.gz HRCJXZZEAOEQAR-NSHDSACASA-N 1 2 281.381 1.044 20 30 CDEDLO CN1CCc2cc(C=[NH+]Nc3cnccn3)ccc21 ZINC000752724020 577120596 /nfs/dbraw/zinc/12/05/96/577120596.db2.gz QDEQEXMNHNSXPX-UHFFFAOYSA-N 1 2 253.309 1.915 20 30 CDEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@H](SC)C1)C(=O)OC ZINC000894859912 619105436 /nfs/dbraw/zinc/10/54/36/619105436.db2.gz YPEQHPWVEYWLKJ-SRVKXCTJSA-N 1 2 255.383 1.815 20 30 CDEDLO CC(C)[N@H+](CCC#N)Cc1ccc(-c2nn[nH]n2)o1 ZINC000824289141 608585991 /nfs/dbraw/zinc/58/59/91/608585991.db2.gz VRABFNOTBXJPIS-UHFFFAOYSA-N 1 2 260.301 1.584 20 30 CDEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(-c2nn[nH]n2)o1 ZINC000824289141 608585992 /nfs/dbraw/zinc/58/59/92/608585992.db2.gz VRABFNOTBXJPIS-UHFFFAOYSA-N 1 2 260.301 1.584 20 30 CDEDLO C#C[C@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000890647584 617247813 /nfs/dbraw/zinc/24/78/13/617247813.db2.gz HCMQVMZVVMVOOS-STQMWFEESA-N 1 2 257.337 1.460 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc3c([nH]2)CCC3)C1 ZINC000957123536 612991566 /nfs/dbraw/zinc/99/15/66/612991566.db2.gz QAYKIEJYPAOAAC-UHFFFAOYSA-N 1 2 285.391 1.673 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cncnc2C2CC2)C1 ZINC000957340697 612993011 /nfs/dbraw/zinc/99/30/11/612993011.db2.gz JISCYCHMOBKZAJ-UHFFFAOYSA-N 1 2 298.390 1.524 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)C2(F)CCCC2)CC1 ZINC000981509748 613151260 /nfs/dbraw/zinc/15/12/60/613151260.db2.gz BIEXCODHRLYLPB-UHFFFAOYSA-N 1 2 252.333 1.436 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)C2(F)CCCC2)CC1 ZINC000981509748 613151261 /nfs/dbraw/zinc/15/12/61/613151261.db2.gz BIEXCODHRLYLPB-UHFFFAOYSA-N 1 2 252.333 1.436 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890760796 617321280 /nfs/dbraw/zinc/32/12/80/617321280.db2.gz YZMXJQHFEVYNAM-ZDUSSCGKSA-N 1 2 292.766 1.759 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890760796 617321281 /nfs/dbraw/zinc/32/12/81/617321281.db2.gz YZMXJQHFEVYNAM-ZDUSSCGKSA-N 1 2 292.766 1.759 20 30 CDEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@](C)(C=C)CC)C2)C1 ZINC000972532303 613212950 /nfs/dbraw/zinc/21/29/50/613212950.db2.gz PWEQZLMKTFJMHW-DLBZAZTESA-N 1 2 290.407 1.525 20 30 CDEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@](C)(C=C)CC)C2)C1 ZINC000972532303 613212951 /nfs/dbraw/zinc/21/29/51/613212951.db2.gz PWEQZLMKTFJMHW-DLBZAZTESA-N 1 2 290.407 1.525 20 30 CDEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)F ZINC000958009878 613236086 /nfs/dbraw/zinc/23/60/86/613236086.db2.gz WVYTYBVGDYMELK-JIGDXULJSA-N 1 2 295.127 1.207 20 30 CDEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)F ZINC000958009878 613236088 /nfs/dbraw/zinc/23/60/88/613236088.db2.gz WVYTYBVGDYMELK-JIGDXULJSA-N 1 2 295.127 1.207 20 30 CDEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cncs2)C1 ZINC000965398252 613254582 /nfs/dbraw/zinc/25/45/82/613254582.db2.gz XIERVFFBLCPFOI-WDEREUQCSA-N 1 2 263.366 1.217 20 30 CDEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cncs2)C1 ZINC000965398252 613254583 /nfs/dbraw/zinc/25/45/83/613254583.db2.gz XIERVFFBLCPFOI-WDEREUQCSA-N 1 2 263.366 1.217 20 30 CDEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ncc[nH]1 ZINC000948913222 613280056 /nfs/dbraw/zinc/28/00/56/613280056.db2.gz QDIKWPSWCUYMOR-OAHLLOKOSA-N 1 2 294.358 1.372 20 30 CDEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ncc[nH]1 ZINC000948913222 613280058 /nfs/dbraw/zinc/28/00/58/613280058.db2.gz QDIKWPSWCUYMOR-OAHLLOKOSA-N 1 2 294.358 1.372 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](OC)C2CCCC2)CC1 ZINC000957482542 613318601 /nfs/dbraw/zinc/31/86/01/613318601.db2.gz UFXRJGPVWOTYPM-OAHLLOKOSA-N 1 2 280.412 1.912 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2cn(C(C)C)nn2)CC1 ZINC000952445152 613321489 /nfs/dbraw/zinc/32/14/89/613321489.db2.gz NMEPWBWPXRRNAG-UHFFFAOYSA-N 1 2 277.372 1.193 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc[n+]([O-])cc2)C1 ZINC000969243535 613371831 /nfs/dbraw/zinc/37/18/31/613371831.db2.gz DBJRHXUWMIBCCT-LLVKDONJSA-N 1 2 295.770 1.123 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC2(F)F)C1 ZINC000969632308 613372187 /nfs/dbraw/zinc/37/21/87/613372187.db2.gz MNFLANODSALJCI-WPRPVWTQSA-N 1 2 278.730 1.831 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cc2cc(C)n[nH]2)CC1 ZINC000980951592 613373455 /nfs/dbraw/zinc/37/34/55/613373455.db2.gz KAXRFRIZRZXWQI-UHFFFAOYSA-N 1 2 296.802 1.547 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cc2cc(C)n[nH]2)CC1 ZINC000980951592 613373456 /nfs/dbraw/zinc/37/34/56/613373456.db2.gz KAXRFRIZRZXWQI-UHFFFAOYSA-N 1 2 296.802 1.547 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ccon2)C1 ZINC000965564622 613375526 /nfs/dbraw/zinc/37/55/26/613375526.db2.gz ZIBHINMZHFOJTI-MFKMUULPSA-N 1 2 297.786 1.796 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ccon2)C1 ZINC000965564622 613375527 /nfs/dbraw/zinc/37/55/27/613375527.db2.gz ZIBHINMZHFOJTI-MFKMUULPSA-N 1 2 297.786 1.796 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnnn2C)C1 ZINC000965979220 613377884 /nfs/dbraw/zinc/37/78/84/613377884.db2.gz CKWNYHPHLNYVDJ-ONGXEEELSA-N 1 2 297.790 1.008 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnnn2C)C1 ZINC000965979220 613377885 /nfs/dbraw/zinc/37/78/85/613377885.db2.gz CKWNYHPHLNYVDJ-ONGXEEELSA-N 1 2 297.790 1.008 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(C)o2)C1 ZINC000957850809 613380730 /nfs/dbraw/zinc/38/07/30/613380730.db2.gz DHGZDINUWNJJNT-RYUDHWBXSA-N 1 2 298.770 1.363 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(C)o2)C1 ZINC000957850809 613380731 /nfs/dbraw/zinc/38/07/31/613380731.db2.gz DHGZDINUWNJJNT-RYUDHWBXSA-N 1 2 298.770 1.363 20 30 CDEDLO C=C1CCC(C(=O)N(CC)C2C[NH+](CCO)C2)CC1 ZINC000951608693 613403613 /nfs/dbraw/zinc/40/36/13/613403613.db2.gz IVGGCRCLJMPOLX-UHFFFAOYSA-N 1 2 266.385 1.258 20 30 CDEDLO C=CCC[NH+]1CCN(C(=O)c2snnc2C2CC2)CC1 ZINC000948878196 613513218 /nfs/dbraw/zinc/51/32/18/613513218.db2.gz JCZOTFSTHWLHJA-UHFFFAOYSA-N 1 2 292.408 1.749 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CC[C@H]2CCCOC2)CC1 ZINC000956952991 613561718 /nfs/dbraw/zinc/56/17/18/613561718.db2.gz TZHACSPLJRSHQK-OAHLLOKOSA-N 1 2 278.396 1.361 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)c2c(C)cc(=O)oc2C)CC1 ZINC000949199093 613566965 /nfs/dbraw/zinc/56/69/65/613566965.db2.gz NTSNRNDVVLPKSM-UHFFFAOYSA-N 1 2 288.347 1.038 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ncccc2O)C1 ZINC000965940491 613576700 /nfs/dbraw/zinc/57/67/00/613576700.db2.gz HPWLJBBJTOUNOO-CHWSQXEVSA-N 1 2 287.363 1.251 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ncccc2O)C1 ZINC000965940491 613576701 /nfs/dbraw/zinc/57/67/01/613576701.db2.gz HPWLJBBJTOUNOO-CHWSQXEVSA-N 1 2 287.363 1.251 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCO[C@H]2C=C)C1 ZINC000950343240 613653527 /nfs/dbraw/zinc/65/35/27/613653527.db2.gz MKTZTBVLJNOINF-CABCVRRESA-N 1 2 278.396 1.686 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)c2csc(=O)[nH]2)C1 ZINC000951209594 613659169 /nfs/dbraw/zinc/65/91/69/613659169.db2.gz DALVGSFIWGLGGY-UHFFFAOYSA-N 1 2 267.354 1.181 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H](C)[C@@H]2CCCO2)CC1 ZINC000957461709 613708026 /nfs/dbraw/zinc/70/80/26/613708026.db2.gz CKXBITXXEXKGOM-KGLIPLIRSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)Cc2c(C)n[nH]c2C)CC1 ZINC000957704622 613710048 /nfs/dbraw/zinc/71/00/48/613710048.db2.gz SURGKFDXOHOWJJ-LBPRGKRZSA-N 1 2 290.411 1.535 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CC23CC(OCC)C3)CC1 ZINC000950481637 613710810 /nfs/dbraw/zinc/71/08/10/613710810.db2.gz QTIDWCCAFXSGAR-BBBYJDLNSA-N 1 2 278.396 1.522 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1 ZINC000949175576 613711961 /nfs/dbraw/zinc/71/19/61/613711961.db2.gz DBDOSMNNPCZHFF-HNNXBMFYSA-N 1 2 272.348 1.320 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)Oc2ccccn2)CC1 ZINC000957353041 613712478 /nfs/dbraw/zinc/71/24/78/613712478.db2.gz AGDUUKOLHHWSAN-ZDUSSCGKSA-N 1 2 275.352 1.179 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCO[C@H]2C(C)C)CC1 ZINC000948694518 613713603 /nfs/dbraw/zinc/71/36/03/613713603.db2.gz RSSVPRKEEJAVCX-KBPBESRZSA-N 1 2 266.385 1.378 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)cc3cn[nH]c32)CC1 ZINC000951749231 613714412 /nfs/dbraw/zinc/71/44/12/613714412.db2.gz ZEVDLAQKFGPNPF-UHFFFAOYSA-N 1 2 284.363 1.815 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)cc3c[nH]nc32)CC1 ZINC000951749231 613714415 /nfs/dbraw/zinc/71/44/15/613714415.db2.gz ZEVDLAQKFGPNPF-UHFFFAOYSA-N 1 2 284.363 1.815 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2cnc3c(c2)c(C)nn3C)CC1 ZINC000949570552 613717974 /nfs/dbraw/zinc/71/79/74/613717974.db2.gz HUYXOTIDBJAWJB-UHFFFAOYSA-N 1 2 299.378 1.221 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C(C)C)C2)C1 ZINC000972581341 613725390 /nfs/dbraw/zinc/72/53/90/613725390.db2.gz HIKIGBINWOQSGE-GOEBONIOSA-N 1 2 280.412 1.768 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C(C)C)C2)C1 ZINC000972581341 613725391 /nfs/dbraw/zinc/72/53/91/613725391.db2.gz HIKIGBINWOQSGE-GOEBONIOSA-N 1 2 280.412 1.768 20 30 CDEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000932161498 617966780 /nfs/dbraw/zinc/96/67/80/617966780.db2.gz NLFPJTMHGTYVFF-GJZGRUSLSA-N 1 2 285.347 1.534 20 30 CDEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000932161498 617966787 /nfs/dbraw/zinc/96/67/87/617966787.db2.gz NLFPJTMHGTYVFF-GJZGRUSLSA-N 1 2 285.347 1.534 20 30 CDEDLO C=CC[C@H](CO)CNc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000893096925 618163391 /nfs/dbraw/zinc/16/33/91/618163391.db2.gz WSSCPGYNMOIOFA-NWDGAFQWSA-N 1 2 280.372 1.256 20 30 CDEDLO C=CC[C@H](CO)CNc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000893096925 618163395 /nfs/dbraw/zinc/16/33/95/618163395.db2.gz WSSCPGYNMOIOFA-NWDGAFQWSA-N 1 2 280.372 1.256 20 30 CDEDLO C=C[C@H](O)C(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910776315 618497981 /nfs/dbraw/zinc/49/79/81/618497981.db2.gz DZBUXLXDHOBNAZ-AWEZNQCLSA-N 1 2 272.348 1.020 20 30 CDEDLO C=C[C@H](O)C(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910776315 618497992 /nfs/dbraw/zinc/49/79/92/618497992.db2.gz DZBUXLXDHOBNAZ-AWEZNQCLSA-N 1 2 272.348 1.020 20 30 CDEDLO C#CCO[C@H](C)C(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910776453 618498817 /nfs/dbraw/zinc/49/88/17/618498817.db2.gz HAAZOQVKVCGRRC-OAHLLOKOSA-N 1 2 298.386 1.512 20 30 CDEDLO C#CCO[C@H](C)C(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910776453 618498820 /nfs/dbraw/zinc/49/88/20/618498820.db2.gz HAAZOQVKVCGRRC-OAHLLOKOSA-N 1 2 298.386 1.512 20 30 CDEDLO O=C1[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCCN1O ZINC000895165260 619392750 /nfs/dbraw/zinc/39/27/50/619392750.db2.gz KZNAXKXSMVVTFM-MRVPVSSYSA-N 1 2 271.298 1.126 20 30 CDEDLO C#Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000896964113 620326553 /nfs/dbraw/zinc/32/65/53/620326553.db2.gz OFJWUZWPZHOJRA-MRXNPFEDSA-N 1 2 284.359 1.215 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898502352 621777100 /nfs/dbraw/zinc/77/71/00/621777100.db2.gz DILXEBGFUBLWQK-XQQFMLRXSA-N 1 2 270.348 1.128 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898502352 621777104 /nfs/dbraw/zinc/77/71/04/621777104.db2.gz DILXEBGFUBLWQK-XQQFMLRXSA-N 1 2 270.348 1.128 20 30 CDEDLO Cc1nc(NC(=O)Cc2c[nH]c[nH+]2)sc1SCC#N ZINC000900479597 623124425 /nfs/dbraw/zinc/12/44/25/623124425.db2.gz CDYPBZZJYGLAPS-UHFFFAOYSA-N 1 2 293.377 1.972 20 30 CDEDLO C#CCC[NH+]1CCN(C(=O)/C(F)=C(\C)C2CC2)CC1 ZINC000900473709 623148848 /nfs/dbraw/zinc/14/88/48/623148848.db2.gz IOWKWVCMLWVEEC-OWBHPGMISA-N 1 2 264.344 1.807 20 30 CDEDLO C#CCNC(=O)COc1cc(C)[nH+]c2ccc(C)cc21 ZINC000902694618 625232123 /nfs/dbraw/zinc/23/21/23/625232123.db2.gz KYZKAECEHQBVHT-UHFFFAOYSA-N 1 2 268.316 1.980 20 30 CDEDLO C#CC[N@H+](CN1C(=O)C(C)(C)[C@H]1[C@H]1CCCO1)C(C)C ZINC000905749127 626944994 /nfs/dbraw/zinc/94/49/94/626944994.db2.gz MOLPHNNZYBXKSN-ZIAGYGMSSA-N 1 2 278.396 1.704 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)C(C)(C)[C@H]1[C@H]1CCCO1)C(C)C ZINC000905749127 626944997 /nfs/dbraw/zinc/94/49/97/626944997.db2.gz MOLPHNNZYBXKSN-ZIAGYGMSSA-N 1 2 278.396 1.704 20 30 CDEDLO C[Si](C)(C)C#CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000912331090 629912574 /nfs/dbraw/zinc/91/25/74/629912574.db2.gz ZIVOROBZRWWLSY-ZDUSSCGKSA-N 1 2 289.455 1.833 20 30 CDEDLO C=CCC(F)(F)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913459485 630489800 /nfs/dbraw/zinc/48/98/00/630489800.db2.gz CMTMZRJVONZBQJ-NSHDSACASA-N 1 2 284.310 1.104 20 30 CDEDLO C=CCn1nnn(C[N@@H+](C)[C@H](C)C(C)C)c1=S ZINC000919940905 632699244 /nfs/dbraw/zinc/69/92/44/632699244.db2.gz OIIRMZVCXUBQAG-SNVBAGLBSA-N 1 2 255.391 1.929 20 30 CDEDLO C=CCn1nnn(C[N@H+](C)[C@H](C)C(C)C)c1=S ZINC000919940905 632699246 /nfs/dbraw/zinc/69/92/46/632699246.db2.gz OIIRMZVCXUBQAG-SNVBAGLBSA-N 1 2 255.391 1.929 20 30 CDEDLO CO[C@@H](C)C[N@H+](C)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793526354 1162425198 /nfs/dbraw/zinc/42/51/98/1162425198.db2.gz ZSSBVTCRAFZPTC-LBPRGKRZSA-N 1 2 289.379 1.523 20 30 CDEDLO CO[C@@H](C)C[N@@H+](C)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793526354 1162425199 /nfs/dbraw/zinc/42/51/99/1162425199.db2.gz ZSSBVTCRAFZPTC-LBPRGKRZSA-N 1 2 289.379 1.523 20 30 CDEDLO C#CCCS(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000808285737 1162833663 /nfs/dbraw/zinc/83/36/63/1162833663.db2.gz WRIMWRYYVMYDML-UHFFFAOYSA-N 1 2 289.360 1.315 20 30 CDEDLO C[C@H](C#N)C[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000809639073 1163057766 /nfs/dbraw/zinc/05/77/66/1163057766.db2.gz GQUBQNOJQBLNSI-MRVPVSSYSA-N 1 2 253.327 1.438 20 30 CDEDLO C[N@@H+]1CCO[C@H](COc2ccc(F)cc2C#N)C1 ZINC001227021481 1160277193 /nfs/dbraw/zinc/27/71/93/1160277193.db2.gz HSELDTJMURPHOJ-LBPRGKRZSA-N 1 2 250.273 1.407 20 30 CDEDLO C[N@H+]1CCO[C@H](COc2ccc(F)cc2C#N)C1 ZINC001227021481 1160277203 /nfs/dbraw/zinc/27/72/03/1160277203.db2.gz HSELDTJMURPHOJ-LBPRGKRZSA-N 1 2 250.273 1.407 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CC[C@@H](C)OC ZINC001482592040 1160498815 /nfs/dbraw/zinc/49/88/15/1160498815.db2.gz TWORAONFVREIPZ-GFCCVEGCSA-N 1 2 276.808 1.944 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CC[C@@H](C)OC ZINC001482592040 1160498818 /nfs/dbraw/zinc/49/88/18/1160498818.db2.gz TWORAONFVREIPZ-GFCCVEGCSA-N 1 2 276.808 1.944 20 30 CDEDLO N#CCC[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000810069860 1163161378 /nfs/dbraw/zinc/16/13/78/1163161378.db2.gz JQXBYNZUFAAIEQ-SECBINFHSA-N 1 2 263.263 1.291 20 30 CDEDLO N#CCC[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000810069860 1163161384 /nfs/dbraw/zinc/16/13/84/1163161384.db2.gz JQXBYNZUFAAIEQ-SECBINFHSA-N 1 2 263.263 1.291 20 30 CDEDLO CC#CCN1CC(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001030752994 1161061742 /nfs/dbraw/zinc/06/17/42/1161061742.db2.gz CENDQVFZSUPELW-UHFFFAOYSA-N 1 2 294.358 1.310 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)C2(C)CCC2)CC1 ZINC001113202106 1162128250 /nfs/dbraw/zinc/12/82/50/1162128250.db2.gz ONZIJDANMBHGNU-UHFFFAOYSA-N 1 2 266.385 1.523 20 30 CDEDLO C=C(CO)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000791393244 1162221407 /nfs/dbraw/zinc/22/14/07/1162221407.db2.gz BILNDXHGBVOVIS-GFCCVEGCSA-N 1 2 280.393 1.502 20 30 CDEDLO N#Cc1cccc(C(=O)Nc2cccc3[nH+]ccn32)n1 ZINC000810440046 1163224588 /nfs/dbraw/zinc/22/45/88/1163224588.db2.gz OOPZINGKNDJVJA-UHFFFAOYSA-N 1 2 263.260 1.853 20 30 CDEDLO CC[C@@H](CC#N)[NH2+]C1CC[NH+](CCCC(=O)[O-])CC1 ZINC001604980476 1163403540 /nfs/dbraw/zinc/40/35/40/1163403540.db2.gz HBXJWHNJBKQOBX-LBPRGKRZSA-N 1 2 267.373 1.597 20 30 CDEDLO C=C[C@H](CC)CC(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001132670797 1163433399 /nfs/dbraw/zinc/43/33/99/1163433399.db2.gz BBQIHNCJIMPNBF-CMPLNLGQSA-N 1 2 280.372 1.747 20 30 CDEDLO CC(=NNc1[nH+]ccn1C)c1ccc2c(c1)OCC(=O)N2 ZINC000794934834 1164796467 /nfs/dbraw/zinc/79/64/67/1164796467.db2.gz AGBUAMCMLMASLH-UHFFFAOYSA-N 1 2 285.307 1.587 20 30 CDEDLO COc1cccc([C@H]2CN(C(=O)C#CC3CC3)CC[NH2+]2)c1 ZINC000870154239 1165143554 /nfs/dbraw/zinc/14/35/54/1165143554.db2.gz HULZFVFJNOEAOF-MRXNPFEDSA-N 1 2 284.359 1.582 20 30 CDEDLO C=CCOCC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874895291 1165690064 /nfs/dbraw/zinc/69/00/64/1165690064.db2.gz BSKKILLQBYVISI-CQSZACIVSA-N 1 2 278.327 1.501 20 30 CDEDLO COc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1OCC(N)=O ZINC001645644499 1167448642 /nfs/dbraw/zinc/44/86/42/1167448642.db2.gz DVCUPBPVXJPWOO-LLVKDONJSA-N 1 2 291.351 1.151 20 30 CDEDLO COc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1OCC(N)=O ZINC001645644499 1167448645 /nfs/dbraw/zinc/44/86/45/1167448645.db2.gz DVCUPBPVXJPWOO-LLVKDONJSA-N 1 2 291.351 1.151 20 30 CDEDLO CC[C@](C)(C#N)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001646098054 1167646414 /nfs/dbraw/zinc/64/64/14/1167646414.db2.gz RJAMSFJUGZTNFQ-MRXNPFEDSA-N 1 2 292.427 1.165 20 30 CDEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2c[nH]nn2)C1 ZINC001575049608 1171096398 /nfs/dbraw/zinc/09/63/98/1171096398.db2.gz PHHZOXZLTUWYPK-STQMWFEESA-N 1 2 291.399 1.536 20 30 CDEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cn[nH]n2)C1 ZINC001575049608 1171096408 /nfs/dbraw/zinc/09/64/08/1171096408.db2.gz PHHZOXZLTUWYPK-STQMWFEESA-N 1 2 291.399 1.536 20 30 CDEDLO C=CC[NH+]1CCC([NH2+]Cc2cc(C)c(C(=O)[O-])[nH]2)CC1 ZINC001602901804 1175447540 /nfs/dbraw/zinc/44/75/40/1175447540.db2.gz XCCRVZGNALLVKW-UHFFFAOYSA-N 1 2 277.368 1.761 20 30 CDEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC001603737080 1175611676 /nfs/dbraw/zinc/61/16/76/1175611676.db2.gz QYWJVFMAENOHLA-GFCCVEGCSA-N 1 2 258.285 1.195 20 30 CDEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC001603737080 1175611677 /nfs/dbraw/zinc/61/16/77/1175611677.db2.gz QYWJVFMAENOHLA-GFCCVEGCSA-N 1 2 258.285 1.195 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)C=C)C1 ZINC001713790975 1178756195 /nfs/dbraw/zinc/75/61/95/1178756195.db2.gz SJTZLNQUQUMMJZ-ZDUSSCGKSA-N 1 2 293.411 1.081 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C=C)C1 ZINC001713790975 1178756201 /nfs/dbraw/zinc/75/62/01/1178756201.db2.gz SJTZLNQUQUMMJZ-ZDUSSCGKSA-N 1 2 293.411 1.081 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](CCC)OC ZINC001731780825 1182572705 /nfs/dbraw/zinc/57/27/05/1182572705.db2.gz SNXYYQNTUINFEM-LLVKDONJSA-N 1 2 262.781 1.602 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](CCC)OC ZINC001731780825 1182572711 /nfs/dbraw/zinc/57/27/11/1182572711.db2.gz SNXYYQNTUINFEM-LLVKDONJSA-N 1 2 262.781 1.602 20 30 CDEDLO CCC(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001732572917 1183016405 /nfs/dbraw/zinc/01/64/05/1183016405.db2.gz LYBSAKHXSBXVBA-UHFFFAOYSA-N 1 2 259.353 1.858 20 30 CDEDLO CCC(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001732572917 1183016408 /nfs/dbraw/zinc/01/64/08/1183016408.db2.gz LYBSAKHXSBXVBA-UHFFFAOYSA-N 1 2 259.353 1.858 20 30 CDEDLO C=C(C)CCC(=O)NC[C@@H](C)[NH2+][C@H](C)c1nc(C)no1 ZINC001752876596 1184946565 /nfs/dbraw/zinc/94/65/65/1184946565.db2.gz CJZIBJLAERKBRK-GHMZBOCLSA-N 1 2 280.372 1.890 20 30 CDEDLO C#CC[N@@H+](C)CCN(C)C(=O)c1cc(-c2ccn(C)c2)[nH]n1 ZINC001753854578 1185363204 /nfs/dbraw/zinc/36/32/04/1185363204.db2.gz PGMZVRJIFDWAIY-UHFFFAOYSA-N 1 2 299.378 1.052 20 30 CDEDLO C#CC[N@H+](C)CCN(C)C(=O)c1cc(-c2ccn(C)c2)[nH]n1 ZINC001753854578 1185363211 /nfs/dbraw/zinc/36/32/11/1185363211.db2.gz PGMZVRJIFDWAIY-UHFFFAOYSA-N 1 2 299.378 1.052 20 30 CDEDLO CN(CC#N)CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753855673 1185363556 /nfs/dbraw/zinc/36/35/56/1185363556.db2.gz GLBJVALSSPJAOC-UHFFFAOYSA-N 1 2 271.324 1.090 20 30 CDEDLO C=CCOCC[NH+]1CC(N(C)C(=O)CC(F)(F)F)C1 ZINC001754571275 1185669993 /nfs/dbraw/zinc/66/99/93/1185669993.db2.gz TVALYDPAGZZFIL-UHFFFAOYSA-N 1 2 280.290 1.284 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CSCCC)CO2 ZINC001755057945 1185801541 /nfs/dbraw/zinc/80/15/41/1185801541.db2.gz DOTYTHQZKRPSCE-CYBMUJFWSA-N 1 2 296.436 1.112 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](O)C(C)C ZINC001755298297 1185900084 /nfs/dbraw/zinc/90/00/84/1185900084.db2.gz IIWOLMPZUMWCEU-GHMZBOCLSA-N 1 2 262.781 1.192 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H](O)C(C)C ZINC001755298297 1185900086 /nfs/dbraw/zinc/90/00/86/1185900086.db2.gz IIWOLMPZUMWCEU-GHMZBOCLSA-N 1 2 262.781 1.192 20 30 CDEDLO C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001755974834 1186115121 /nfs/dbraw/zinc/11/51/21/1186115121.db2.gz UZFZMVRXWWUTFS-NWDGAFQWSA-N 1 2 292.383 1.318 20 30 CDEDLO CC(=[NH+]Nc1cnnn1C)c1ccccc1N(C)C ZINC000814982864 1164105677 /nfs/dbraw/zinc/10/56/77/1164105677.db2.gz QYVLLROSWRHSQE-UHFFFAOYSA-N 1 2 258.329 1.717 20 30 CDEDLO C#CCO[C@H](C)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000822888583 1164231367 /nfs/dbraw/zinc/23/13/67/1164231367.db2.gz VREMYQOJAHBGOX-GFCCVEGCSA-N 1 2 276.336 1.362 20 30 CDEDLO N#CCCN1CCN(c2ccc3c([nH+]2)CCCC3)CC1 ZINC001165055178 722023413 /nfs/dbraw/zinc/02/34/13/722023413.db2.gz IQCQCVCAUYJANC-UHFFFAOYSA-N 1 2 270.380 1.996 20 30 CDEDLO O=S1(=O)C=C(NNc2[nH+]cccc2F)CCC1 ZINC000794985103 1164900258 /nfs/dbraw/zinc/90/02/58/1164900258.db2.gz QIUMOENMTWRDQW-UHFFFAOYSA-N 1 2 257.290 1.197 20 30 CDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C1(C#N)CCCCC1 ZINC000874702948 1165656467 /nfs/dbraw/zinc/65/64/67/1165656467.db2.gz LBQSFTUFVSYRRE-AWEZNQCLSA-N 1 2 293.411 1.687 20 30 CDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)C1(C#N)CCCCC1 ZINC000874702948 1165656471 /nfs/dbraw/zinc/65/64/71/1165656471.db2.gz LBQSFTUFVSYRRE-AWEZNQCLSA-N 1 2 293.411 1.687 20 30 CDEDLO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1nc(N(C)C)no1 ZINC000877411238 1166032624 /nfs/dbraw/zinc/03/26/24/1166032624.db2.gz MAYKVBIMUKMBFL-NSHDSACASA-N 1 2 293.371 1.324 20 30 CDEDLO C[C@H](CC(=O)Nc1cc(C#N)ccn1)n1cc[nH+]c1 ZINC001538826303 1167909089 /nfs/dbraw/zinc/90/90/89/1167909089.db2.gz OXBNLHTWEBCUOI-SNVBAGLBSA-N 1 2 255.281 1.740 20 30 CDEDLO C#CCC1(C(=O)N2CC[C@@H](Nc3cc[nH+]c(C)n3)C2)CCC1 ZINC001095068489 912304378 /nfs/dbraw/zinc/30/43/78/912304378.db2.gz HSLGKCWIIPFIFO-CQSZACIVSA-N 1 2 298.390 1.991 20 30 CDEDLO CCOC(=O)[C@H]([NH2+]C1CCC(CC#N)CC1)[C@@H](C)O ZINC001173329482 912427923 /nfs/dbraw/zinc/42/79/23/912427923.db2.gz DUGUIALDAMDKAP-IKWCTNDRSA-N 1 2 268.357 1.361 20 30 CDEDLO CC(C)[C@](C)(C#N)[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173735051 912757589 /nfs/dbraw/zinc/75/75/89/912757589.db2.gz QZCVYHZODIBJHI-UPJWGTAASA-N 1 2 262.361 1.685 20 30 CDEDLO CC#CC[N@@H+]1CC[C@]2(NC(=O)c3[nH]ncc3F)CCC[C@H]12 ZINC000992168388 912777799 /nfs/dbraw/zinc/77/77/99/912777799.db2.gz GHDHXZJKUSAUTB-SWLSCSKDSA-N 1 2 290.342 1.299 20 30 CDEDLO CC#CC[N@H+]1CC[C@]2(NC(=O)c3[nH]ncc3F)CCC[C@H]12 ZINC000992168388 912777810 /nfs/dbraw/zinc/77/78/10/912777810.db2.gz GHDHXZJKUSAUTB-SWLSCSKDSA-N 1 2 290.342 1.299 20 30 CDEDLO C#Cc1cncc(C(=O)NC2C[NH+](CC[C@@H](C)F)C2)c1 ZINC001030928310 913147482 /nfs/dbraw/zinc/14/74/82/913147482.db2.gz NEHYVIOJXSNACZ-LLVKDONJSA-N 1 2 275.327 1.225 20 30 CDEDLO C#CCC[NH2+]C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001106154152 913442559 /nfs/dbraw/zinc/44/25/59/913442559.db2.gz AOEOVOZRPSMMAN-GMTAPVOTSA-N 1 2 294.292 1.594 20 30 CDEDLO C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C ZINC001106154152 913442562 /nfs/dbraw/zinc/44/25/62/913442562.db2.gz AOEOVOZRPSMMAN-GMTAPVOTSA-N 1 2 294.292 1.594 20 30 CDEDLO C=C(C)CN(CC)C(=O)c1cc2n(n1)CCC[N@H+](C)C2 ZINC001175077136 913454559 /nfs/dbraw/zinc/45/45/59/913454559.db2.gz KCGQAMCIOVVYIR-UHFFFAOYSA-N 1 2 276.384 1.757 20 30 CDEDLO C=C(C)CN(CC)C(=O)c1cc2n(n1)CCC[N@@H+](C)C2 ZINC001175077136 913454564 /nfs/dbraw/zinc/45/45/64/913454564.db2.gz KCGQAMCIOVVYIR-UHFFFAOYSA-N 1 2 276.384 1.757 20 30 CDEDLO C#Cc1cc(Nc2ccccc2[S@@](C)=O)cc[nH+]1 ZINC001175303666 913530360 /nfs/dbraw/zinc/53/03/60/913530360.db2.gz RNUOGCIHVDWICY-GOSISDBHSA-N 1 2 256.330 1.966 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2oc(C3CC3)nc2C)C1 ZINC001031075114 913553717 /nfs/dbraw/zinc/55/37/17/913553717.db2.gz DTGHMSZCAWLGTR-UHFFFAOYSA-N 1 2 275.352 1.851 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(OC)c2F)C1 ZINC001031135542 913723795 /nfs/dbraw/zinc/72/37/95/913723795.db2.gz SVEGTONSXPVOCQ-UHFFFAOYSA-N 1 2 276.311 1.272 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccn1C(C)C ZINC001039038925 894202420 /nfs/dbraw/zinc/20/24/20/894202420.db2.gz XMYKVERXFQRGDI-AWEZNQCLSA-N 1 2 273.380 1.896 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cccn1C(C)C ZINC001039038925 894202435 /nfs/dbraw/zinc/20/24/35/894202435.db2.gz XMYKVERXFQRGDI-AWEZNQCLSA-N 1 2 273.380 1.896 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2C[C@H]2C2CCCC2)C1 ZINC001031173237 913850756 /nfs/dbraw/zinc/85/07/56/913850756.db2.gz HVYRZWFIMRWOSQ-GJZGRUSLSA-N 1 2 260.381 1.636 20 30 CDEDLO C#CC[NH+]1CCN(Cc2cccc(F)c2F)CC1 ZINC000089945242 894271171 /nfs/dbraw/zinc/27/11/71/894271171.db2.gz GZKAEZIKOPUZDZ-UHFFFAOYSA-N 1 2 250.292 1.716 20 30 CDEDLO C=CCCC[N@H+]1C[C@@](O)(C(F)(F)F)C[C@@H]1C(=O)OC ZINC001209157476 894509015 /nfs/dbraw/zinc/50/90/15/894509015.db2.gz WLAVDMRRWJZXAZ-MWLCHTKSSA-N 1 2 281.274 1.493 20 30 CDEDLO C=CCCC[N@@H+]1C[C@@](O)(C(F)(F)F)C[C@@H]1C(=O)OC ZINC001209157476 894509020 /nfs/dbraw/zinc/50/90/20/894509020.db2.gz WLAVDMRRWJZXAZ-MWLCHTKSSA-N 1 2 281.274 1.493 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N[C@H](C)CCNc1cc[nH+]c(C)n1 ZINC001106441828 913929132 /nfs/dbraw/zinc/92/91/32/913929132.db2.gz GCEXFWISGPVZEU-NEPJUHHUSA-N 1 2 290.367 1.130 20 30 CDEDLO C[C@@H](N[NH+]=Cc1cnc(N(C)C)nc1)C(F)(F)F ZINC000834998081 896218981 /nfs/dbraw/zinc/21/89/81/896218981.db2.gz BWNBUHPKFAXTJO-SSDOTTSWSA-N 1 2 261.251 1.417 20 30 CDEDLO C=C(Cl)CN(C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001480913763 896586017 /nfs/dbraw/zinc/58/60/17/896586017.db2.gz UXHPYFLBNCHCQL-VXGBXAGGSA-N 1 2 296.802 1.324 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1ncn(C(C)(C)C)n1 ZINC001480913913 896586389 /nfs/dbraw/zinc/58/63/89/896586389.db2.gz REUQDIRYPYAQDT-UHFFFAOYSA-N 1 2 299.806 1.447 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1ncn(C(C)(C)C)n1 ZINC001480913913 896586400 /nfs/dbraw/zinc/58/64/00/896586400.db2.gz REUQDIRYPYAQDT-UHFFFAOYSA-N 1 2 299.806 1.447 20 30 CDEDLO Cc1nc[nH]c1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC001204589048 896871170 /nfs/dbraw/zinc/87/11/70/896871170.db2.gz QXCVZEBLINICLC-UHFFFAOYSA-N 1 2 281.363 1.912 20 30 CDEDLO Cc1cnoc1C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001480931621 897532236 /nfs/dbraw/zinc/53/22/36/897532236.db2.gz PLDPAOOAFUTROR-UHFFFAOYSA-N 1 2 298.346 1.717 20 30 CDEDLO Cc1cnoc1C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001480931621 897532251 /nfs/dbraw/zinc/53/22/51/897532251.db2.gz PLDPAOOAFUTROR-UHFFFAOYSA-N 1 2 298.346 1.717 20 30 CDEDLO CCN(CCNc1cc[nH+]c(C)n1)C(=O)[C@H](C)C#N ZINC001106707238 914170702 /nfs/dbraw/zinc/17/07/02/914170702.db2.gz ASSLDGXBVRXZHI-SNVBAGLBSA-N 1 2 261.329 1.205 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cnn(CC)c2C2CC2)C1 ZINC001031231558 914173368 /nfs/dbraw/zinc/17/33/68/914173368.db2.gz BJDCKEVWAXIMPY-UHFFFAOYSA-N 1 2 288.395 1.771 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(CC)ccn1 ZINC001038280550 897601475 /nfs/dbraw/zinc/60/14/75/897601475.db2.gz MMOSLZDGJRKAAG-CQSZACIVSA-N 1 2 271.364 1.471 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(CC)ccn1 ZINC001038280550 897601481 /nfs/dbraw/zinc/60/14/81/897601481.db2.gz MMOSLZDGJRKAAG-CQSZACIVSA-N 1 2 271.364 1.471 20 30 CDEDLO CCN(CCNc1cc[nH+]c(C)n1)C(=O)c1c[nH]c(C#N)c1 ZINC001106732244 914230452 /nfs/dbraw/zinc/23/04/52/914230452.db2.gz CWMSCKIQTDRZIR-UHFFFAOYSA-N 1 2 298.350 1.559 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(OC)ns2)[C@@H]1C ZINC000993371524 914279532 /nfs/dbraw/zinc/27/95/32/914279532.db2.gz ZOWZQMBJAIVOAQ-WDEREUQCSA-N 1 2 293.392 1.368 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(OC)ns2)[C@@H]1C ZINC000993371524 914279542 /nfs/dbraw/zinc/27/95/42/914279542.db2.gz ZOWZQMBJAIVOAQ-WDEREUQCSA-N 1 2 293.392 1.368 20 30 CDEDLO CNc1ccc(C#N)cc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001176832467 914295070 /nfs/dbraw/zinc/29/50/70/914295070.db2.gz RWZAPVDQFWXNDY-UHFFFAOYSA-N 1 2 255.281 1.504 20 30 CDEDLO C=CCCC[N@H+]1CCO[C@H]2CCN(C(=O)C(F)F)C[C@H]21 ZINC001176871585 914313946 /nfs/dbraw/zinc/31/39/46/914313946.db2.gz MNHHDAKNKOKCMO-NEPJUHHUSA-N 1 2 288.338 1.519 20 30 CDEDLO C=CCCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(F)F)C[C@H]21 ZINC001176871585 914313961 /nfs/dbraw/zinc/31/39/61/914313961.db2.gz MNHHDAKNKOKCMO-NEPJUHHUSA-N 1 2 288.338 1.519 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)[C@@H](C)c2ccccc2)C1 ZINC001031269739 914315783 /nfs/dbraw/zinc/31/57/83/914315783.db2.gz QWGWGUJZJHHHPA-ZDUSSCGKSA-N 1 2 256.349 1.614 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2cccc(Cl)c2)C1 ZINC001031296711 914353195 /nfs/dbraw/zinc/35/31/95/914353195.db2.gz OUFVNGHEXZMKDP-UHFFFAOYSA-N 1 2 262.740 1.777 20 30 CDEDLO C=CCOCC(=O)NC[C@@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC001105136501 899929973 /nfs/dbraw/zinc/92/99/73/899929973.db2.gz VRMXDZOTVAZBTQ-CYBMUJFWSA-N 1 2 292.383 1.540 20 30 CDEDLO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1snnc1C1CC1 ZINC001038371897 899971489 /nfs/dbraw/zinc/97/14/89/899971489.db2.gz PTSSDGHZEYYNDR-LLVKDONJSA-N 1 2 290.392 1.243 20 30 CDEDLO C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1snnc1C1CC1 ZINC001038371897 899971499 /nfs/dbraw/zinc/97/14/99/899971499.db2.gz PTSSDGHZEYYNDR-LLVKDONJSA-N 1 2 290.392 1.243 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccncn2)[C@H]1C ZINC000994017682 914418273 /nfs/dbraw/zinc/41/82/73/914418273.db2.gz FPDCVWJQFZHJEJ-VXGBXAGGSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccncn2)[C@H]1C ZINC000994017682 914418278 /nfs/dbraw/zinc/41/82/78/914418278.db2.gz FPDCVWJQFZHJEJ-VXGBXAGGSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C1=COCCO1 ZINC001027726877 900773396 /nfs/dbraw/zinc/77/33/96/900773396.db2.gz XWUCOFRKTDZYGA-NSHDSACASA-N 1 2 286.759 1.208 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C1=COCCO1 ZINC001027726877 900773402 /nfs/dbraw/zinc/77/34/02/900773402.db2.gz XWUCOFRKTDZYGA-NSHDSACASA-N 1 2 286.759 1.208 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001038797901 900834681 /nfs/dbraw/zinc/83/46/81/900834681.db2.gz ZWVDIRRCMJWSBY-HYVNUMGLSA-N 1 2 282.387 1.922 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001038797901 900834691 /nfs/dbraw/zinc/83/46/91/900834691.db2.gz ZWVDIRRCMJWSBY-HYVNUMGLSA-N 1 2 282.387 1.922 20 30 CDEDLO C=CCC[NH+]1CC(NC(=O)c2cc(=O)c3ccccc3o2)C1 ZINC001031340230 914535135 /nfs/dbraw/zinc/53/51/35/914535135.db2.gz VKWPLFLGXNEASM-UHFFFAOYSA-N 1 2 298.342 1.783 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnon1 ZINC001028215183 901638235 /nfs/dbraw/zinc/63/82/35/901638235.db2.gz MJXNEZPOBLEWGX-SECBINFHSA-N 1 2 270.720 1.016 20 30 CDEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnon1 ZINC001028215183 901638241 /nfs/dbraw/zinc/63/82/41/901638241.db2.gz MJXNEZPOBLEWGX-SECBINFHSA-N 1 2 270.720 1.016 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2Cc3cccc(F)c3O2)C1 ZINC001031412982 914614282 /nfs/dbraw/zinc/61/42/82/914614282.db2.gz MQAWJKBSQRINNI-CQSZACIVSA-N 1 2 290.338 1.506 20 30 CDEDLO CON=C(C(=O)Nc1cc[nH+]c2c1CCC2)c1ccco1 ZINC001177348487 914629491 /nfs/dbraw/zinc/62/94/91/914629491.db2.gz LZNAVHQHVCPRNJ-JXAWBTAJSA-N 1 2 285.303 1.574 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cc3n(c2)CCCC3)C1 ZINC001031501873 914680618 /nfs/dbraw/zinc/68/06/18/914680618.db2.gz XKBLIGFMIMAFKE-UHFFFAOYSA-N 1 2 273.380 1.815 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2C[C@H]2OCC)C1 ZINC001031565349 914741357 /nfs/dbraw/zinc/74/13/57/914741357.db2.gz LLMKQCYRIUMAGI-NWDGAFQWSA-N 1 2 272.776 1.212 20 30 CDEDLO C=C1CC(C(=O)N2CC3(C2)C[NH+](Cc2cccc(=O)[nH]2)C3)C1 ZINC001270590231 904766064 /nfs/dbraw/zinc/76/60/64/904766064.db2.gz MICZTJKQAAKGQS-UHFFFAOYSA-N 1 2 299.374 1.398 20 30 CDEDLO C=CC(C)(C)CC(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001128246253 921227373 /nfs/dbraw/zinc/22/73/73/921227373.db2.gz UZAZBXOFMJIWQT-JTQLQIEISA-N 1 2 280.372 1.747 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128448723 921305432 /nfs/dbraw/zinc/30/54/32/921305432.db2.gz WAEQAZYKRIPEHH-QWHCGFSZSA-N 1 2 290.411 1.793 20 30 CDEDLO C=C[C@H](C)[C@@H](C)C(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128448723 921305433 /nfs/dbraw/zinc/30/54/33/921305433.db2.gz WAEQAZYKRIPEHH-QWHCGFSZSA-N 1 2 290.411 1.793 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(C)nc2C)[C@H]1C ZINC001088492793 907494638 /nfs/dbraw/zinc/49/46/38/907494638.db2.gz IEYQQRDQHRHIGP-YPMHNXCESA-N 1 2 296.802 1.674 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)nc2C)[C@H]1C ZINC001088492793 907494649 /nfs/dbraw/zinc/49/46/49/907494649.db2.gz IEYQQRDQHRHIGP-YPMHNXCESA-N 1 2 296.802 1.674 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccco2)[C@H](O)C1 ZINC001090021631 921366293 /nfs/dbraw/zinc/36/62/93/921366293.db2.gz WOFNJCIQMUFWIU-GHMZBOCLSA-N 1 2 284.743 1.197 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccco2)[C@H](O)C1 ZINC001090021631 921366302 /nfs/dbraw/zinc/36/63/02/921366302.db2.gz WOFNJCIQMUFWIU-GHMZBOCLSA-N 1 2 284.743 1.197 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)n1C ZINC001038059406 908056545 /nfs/dbraw/zinc/05/65/45/908056545.db2.gz JNKAHBJCNHGCGK-CYBMUJFWSA-N 1 2 259.353 1.161 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)n1C ZINC001038059406 908056561 /nfs/dbraw/zinc/05/65/61/908056561.db2.gz JNKAHBJCNHGCGK-CYBMUJFWSA-N 1 2 259.353 1.161 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(CC)n2)C1 ZINC001189318375 921425923 /nfs/dbraw/zinc/42/59/23/921425923.db2.gz KOGRQRCHBROGHV-OAHLLOKOSA-N 1 2 290.411 1.902 20 30 CDEDLO C=CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(CC)n2)C1 ZINC001189318375 921425930 /nfs/dbraw/zinc/42/59/30/921425930.db2.gz KOGRQRCHBROGHV-OAHLLOKOSA-N 1 2 290.411 1.902 20 30 CDEDLO C=CCC(C)(C)c1noc([C@@H]([NH3+])CCS(C)(=O)=O)n1 ZINC000843235278 921436297 /nfs/dbraw/zinc/43/62/97/921436297.db2.gz MRKUPAKOMZUQCB-VIFPVBQESA-N 1 2 287.385 1.358 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2CCCc3cn[nH]c32)C1 ZINC001042723145 908982379 /nfs/dbraw/zinc/98/23/79/908982379.db2.gz FYOBHPAHSJGJRL-ZDUSSCGKSA-N 1 2 274.368 1.158 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(C)c2C)C1 ZINC001032915128 921487168 /nfs/dbraw/zinc/48/71/68/921487168.db2.gz LXDDUFYGTMVFQL-GFCCVEGCSA-N 1 2 296.802 1.627 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(C)c2C)C1 ZINC001032915128 921487177 /nfs/dbraw/zinc/48/71/77/921487177.db2.gz LXDDUFYGTMVFQL-GFCCVEGCSA-N 1 2 296.802 1.627 20 30 CDEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cocn3)CC2)C1 ZINC001093515518 909892323 /nfs/dbraw/zinc/89/23/23/909892323.db2.gz WMIKLHIKSUUBOE-UHFFFAOYSA-N 1 2 291.351 1.166 20 30 CDEDLO C#CCCCCC(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093554382 909928283 /nfs/dbraw/zinc/92/82/83/909928283.db2.gz GMQURXHYDXFELV-UHFFFAOYSA-N 1 2 260.341 1.507 20 30 CDEDLO CC(C)(C)OC(=O)C1CCC(N2CC[NH2+]C[C@@H]2C#N)CC1 ZINC001171922397 911028330 /nfs/dbraw/zinc/02/83/30/911028330.db2.gz VVEWZEXRXQROOL-RUXDESIVSA-N 1 2 293.411 1.684 20 30 CDEDLO C=C[C@@H]1C[C@]1([NH2+][C@H]1CCN2C(=O)CC[C@H]2C1)C(=O)OCC ZINC001172166802 911413275 /nfs/dbraw/zinc/41/32/75/911413275.db2.gz UJCLHEMZUVZXBW-LMOYCYGVSA-N 1 2 292.379 1.237 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)Cc2cccs2)C1 ZINC001030058401 911432788 /nfs/dbraw/zinc/43/27/88/911432788.db2.gz FEYRUXOIMLWWKS-UHFFFAOYSA-N 1 2 250.367 1.667 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccnn2C(C)C)C1 ZINC001030367011 911715224 /nfs/dbraw/zinc/71/52/24/911715224.db2.gz SMOWZTIDSVNBGR-UHFFFAOYSA-N 1 2 262.357 1.454 20 30 CDEDLO C#CCC[NH+]1CC(NC(=O)c2[nH]nc3c2cccc3OC)C1 ZINC001030382003 911732412 /nfs/dbraw/zinc/73/24/12/911732412.db2.gz SQFITEWLRSTGJT-UHFFFAOYSA-N 1 2 298.346 1.009 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc3c2OCCO3)C1 ZINC001030400069 911753732 /nfs/dbraw/zinc/75/37/32/911753732.db2.gz JOOQDEKUNAVXMU-UHFFFAOYSA-N 1 2 288.347 1.448 20 30 CDEDLO C#Cc1cccc(CN2CCc3c([nH+]cn3C)C2)c1 ZINC001231662432 911806651 /nfs/dbraw/zinc/80/66/51/911806651.db2.gz FPYAFJNZVQFJJG-UHFFFAOYSA-N 1 2 251.333 1.960 20 30 CDEDLO C#Cc1cccc(C[N@H+]2CCc3c(ncn3C)C2)c1 ZINC001231662432 911806656 /nfs/dbraw/zinc/80/66/56/911806656.db2.gz FPYAFJNZVQFJJG-UHFFFAOYSA-N 1 2 251.333 1.960 20 30 CDEDLO C#Cc1cccc(C[N@@H+]2CCc3c(ncn3C)C2)c1 ZINC001231662432 911806664 /nfs/dbraw/zinc/80/66/64/911806664.db2.gz FPYAFJNZVQFJJG-UHFFFAOYSA-N 1 2 251.333 1.960 20 30 CDEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(F)c(F)c2)C1 ZINC001030446413 911847269 /nfs/dbraw/zinc/84/72/69/911847269.db2.gz GHBZLOWITWRBHN-UHFFFAOYSA-N 1 2 266.291 1.955 20 30 CDEDLO C=C[C@H](CC)CC(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001106066569 912134164 /nfs/dbraw/zinc/13/41/64/912134164.db2.gz HDESNCKPGMPKDJ-CHWSQXEVSA-N 1 2 292.383 1.276 20 30 CDEDLO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cnns1 ZINC001089614859 914989405 /nfs/dbraw/zinc/98/94/05/914989405.db2.gz LJXNJCOPARAGIJ-LLVKDONJSA-N 1 2 292.408 1.392 20 30 CDEDLO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cnns1 ZINC001089614859 914989420 /nfs/dbraw/zinc/98/94/20/914989420.db2.gz LJXNJCOPARAGIJ-LLVKDONJSA-N 1 2 292.408 1.392 20 30 CDEDLO C=C[C@H]1C[C@]1(NC(=O)[C@@H](C)n1cc[nH+]c1)C(=O)OCC ZINC001177929860 915060390 /nfs/dbraw/zinc/06/03/90/915060390.db2.gz UHMHPWOLAYKIQN-UHIISALHSA-N 1 2 277.324 1.068 20 30 CDEDLO C#CCCCCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000179755193 915320291 /nfs/dbraw/zinc/32/02/91/915320291.db2.gz OYIMGPYBNWUHJE-CYBMUJFWSA-N 1 2 252.358 1.017 20 30 CDEDLO C#C[C@@](C)(CC)[NH2+]Cc1csc(NC(C)=O)n1 ZINC000852098277 927711356 /nfs/dbraw/zinc/71/13/56/927711356.db2.gz IVKCNWUCZXLAJM-LBPRGKRZSA-N 1 2 251.355 1.993 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@@H]1C)CCO2 ZINC001053141337 936408479 /nfs/dbraw/zinc/40/84/79/936408479.db2.gz SQVMDAADKHDLSF-QWHCGFSZSA-N 1 2 264.369 1.132 20 30 CDEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1coc(C)c1)CCO2 ZINC001053234704 936411344 /nfs/dbraw/zinc/41/13/44/936411344.db2.gz HZNRCTWFLOPBSR-UHFFFAOYSA-N 1 2 290.363 1.691 20 30 CDEDLO C=C(C)C(C)(C)C(=O)N1CCOC2(C[NH+](CCCF)C2)C1 ZINC001053366480 936411868 /nfs/dbraw/zinc/41/18/68/936411868.db2.gz KAIJMNRTNCZKAH-UHFFFAOYSA-N 1 2 298.402 1.862 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccoc1)O2 ZINC001053570407 936415161 /nfs/dbraw/zinc/41/51/61/936415161.db2.gz SPCYZIFWFWJHAJ-CQSZACIVSA-N 1 2 290.363 1.819 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1(C)CCCC1)CO2 ZINC001053886622 936421890 /nfs/dbraw/zinc/42/18/90/936421890.db2.gz PEHYIWFYRSSQNM-AWEZNQCLSA-N 1 2 290.407 1.550 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC1(C)C)CO2 ZINC001053900878 936422922 /nfs/dbraw/zinc/42/29/22/936422922.db2.gz WMEIVOAHTZDCBY-KGLIPLIRSA-N 1 2 292.423 1.958 20 30 CDEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1=CCCC1)CO2 ZINC001053773550 936420107 /nfs/dbraw/zinc/42/01/07/936420107.db2.gz JXAZKDLGGROGII-AWEZNQCLSA-N 1 2 274.364 1.080 20 30 CDEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC13CCC3)CO2 ZINC001053941743 936424291 /nfs/dbraw/zinc/42/42/91/936424291.db2.gz DOGATPODZQHFLJ-ZIAGYGMSSA-N 1 2 290.407 1.712 20 30 CDEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@@H]3OCC)cc2C1 ZINC001054257428 936433353 /nfs/dbraw/zinc/43/33/53/936433353.db2.gz ILEUNSWLVBLXJP-SJORKVTESA-N 1 2 298.386 1.677 20 30 CDEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@@H]3OCC)cc2C1 ZINC001054257428 936433355 /nfs/dbraw/zinc/43/33/55/936433355.db2.gz ILEUNSWLVBLXJP-SJORKVTESA-N 1 2 298.386 1.677 20 30 CDEDLO C#CCC[N@H+]1Cc2ccc(CNC(=O)c3cnn[nH]3)cc2C1 ZINC001054272222 936433714 /nfs/dbraw/zinc/43/37/14/936433714.db2.gz JBJYKBQLPXIGTM-UHFFFAOYSA-N 1 2 295.346 1.074 20 30 CDEDLO C#CCC[N@@H+]1Cc2ccc(CNC(=O)c3cnn[nH]3)cc2C1 ZINC001054272222 936433716 /nfs/dbraw/zinc/43/37/16/936433716.db2.gz JBJYKBQLPXIGTM-UHFFFAOYSA-N 1 2 295.346 1.074 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC23CCC3)C1 ZINC001032012268 917571540 /nfs/dbraw/zinc/57/15/40/917571540.db2.gz GZRIBTUYXDAUCA-LBPRGKRZSA-N 1 2 268.788 1.977 20 30 CDEDLO C[C@H]1CN(CC#N)CC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000942486394 917585022 /nfs/dbraw/zinc/58/50/22/917585022.db2.gz NDUNWLFRJUHPEZ-STQMWFEESA-N 1 2 297.362 1.298 20 30 CDEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2cn(C)cn2)C1=O ZINC001272733832 917730888 /nfs/dbraw/zinc/73/08/88/917730888.db2.gz POKHJXVFSSKCKI-MRXNPFEDSA-N 1 2 288.395 1.563 20 30 CDEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cn(C)cn2)C1=O ZINC001272733832 917730895 /nfs/dbraw/zinc/73/08/95/917730895.db2.gz POKHJXVFSSKCKI-MRXNPFEDSA-N 1 2 288.395 1.563 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H]2C[C@@H]2C(F)(F)F)CC1 ZINC001182324732 917780160 /nfs/dbraw/zinc/78/01/60/917780160.db2.gz QFOBXPFMCPLWBX-UWVGGRQHSA-N 1 2 262.275 1.515 20 30 CDEDLO Cc1nc(NC/C=C\CNC(=O)CSCC#N)cc[nH+]1 ZINC001107048784 917909111 /nfs/dbraw/zinc/90/91/11/917909111.db2.gz CNPMIEMLKWISFJ-IHWYPQMZSA-N 1 2 291.380 1.126 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC1CC1)C2 ZINC001110324000 918186086 /nfs/dbraw/zinc/18/60/86/918186086.db2.gz RBXAIRAMUAQYDP-MCIONIFRSA-N 1 2 298.814 1.887 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC1CC1)C2 ZINC001110324000 918186096 /nfs/dbraw/zinc/18/60/96/918186096.db2.gz RBXAIRAMUAQYDP-MCIONIFRSA-N 1 2 298.814 1.887 20 30 CDEDLO C=C[C@](C)(O)CC(=O)NC/C=C\CNc1cc[nH+]c(C)n1 ZINC001107148413 918214876 /nfs/dbraw/zinc/21/48/76/918214876.db2.gz JCGMOVQROGJRPU-YVACAVLKSA-N 1 2 290.367 1.196 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncoc1CC ZINC001032325795 918429017 /nfs/dbraw/zinc/42/90/17/918429017.db2.gz QBFNXMSKMBQAMJ-RYUDHWBXSA-N 1 2 273.336 1.159 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncoc1CC ZINC001032325795 918429023 /nfs/dbraw/zinc/42/90/23/918429023.db2.gz QBFNXMSKMBQAMJ-RYUDHWBXSA-N 1 2 273.336 1.159 20 30 CDEDLO N#Cc1cccc([C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CCO2)c1 ZINC000831413305 936509294 /nfs/dbraw/zinc/50/92/94/936509294.db2.gz CBFSMYIJEZZDHX-AWEZNQCLSA-N 1 2 296.330 1.424 20 30 CDEDLO Cn1cc[nH+]c1CCNC(=O)[C@@H](C#N)Cc1ccc(O)cc1 ZINC001183617313 918591874 /nfs/dbraw/zinc/59/18/74/918591874.db2.gz NHAGSHDYYWJRPE-CYBMUJFWSA-N 1 2 298.346 1.167 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)CCC)C1 ZINC001107822719 918837924 /nfs/dbraw/zinc/83/79/24/918837924.db2.gz CMVCPSJVYXGVOM-ZBFHGGJFSA-N 1 2 280.412 1.653 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)CCC)C1 ZINC001107822719 918837938 /nfs/dbraw/zinc/83/79/38/918837938.db2.gz CMVCPSJVYXGVOM-ZBFHGGJFSA-N 1 2 280.412 1.653 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(F)=C(C)C)C1 ZINC001107866805 918928435 /nfs/dbraw/zinc/92/84/35/918928435.db2.gz VVTQWLJPKRADIX-HNNXBMFYSA-N 1 2 282.359 1.480 20 30 CDEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C(F)=C(C)C)C1 ZINC001107866805 918928442 /nfs/dbraw/zinc/92/84/42/918928442.db2.gz VVTQWLJPKRADIX-HNNXBMFYSA-N 1 2 282.359 1.480 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)CC)C1 ZINC001107901570 919025996 /nfs/dbraw/zinc/02/59/96/919025996.db2.gz SHWPVTJBJRQZPD-GDBMZVCRSA-N 1 2 280.412 1.653 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)CC)C1 ZINC001107901570 919026009 /nfs/dbraw/zinc/02/60/09/919026009.db2.gz SHWPVTJBJRQZPD-GDBMZVCRSA-N 1 2 280.412 1.653 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(F)cccc1OC ZINC001032419755 919102089 /nfs/dbraw/zinc/10/20/89/919102089.db2.gz MZEMGNUCCQATPY-RYUDHWBXSA-N 1 2 290.338 1.919 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(F)cccc1OC ZINC001032419755 919102099 /nfs/dbraw/zinc/10/20/99/919102099.db2.gz MZEMGNUCCQATPY-RYUDHWBXSA-N 1 2 290.338 1.919 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(CC)c1Cl ZINC001032450368 919143502 /nfs/dbraw/zinc/14/35/02/919143502.db2.gz BFMJKUSAYWTSRP-UWVGGRQHSA-N 1 2 294.786 1.710 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(CC)c1Cl ZINC001032450368 919143509 /nfs/dbraw/zinc/14/35/09/919143509.db2.gz BFMJKUSAYWTSRP-UWVGGRQHSA-N 1 2 294.786 1.710 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C)o1 ZINC001050802392 936564774 /nfs/dbraw/zinc/56/47/74/936564774.db2.gz MKEDVNMGDZVHPW-CYBMUJFWSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C)o1 ZINC001050802392 936564775 /nfs/dbraw/zinc/56/47/75/936564775.db2.gz MKEDVNMGDZVHPW-CYBMUJFWSA-N 1 2 278.352 1.595 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccoc1 ZINC001050820409 936565565 /nfs/dbraw/zinc/56/55/65/936565565.db2.gz PDZKEAFLQTUGSI-CYBMUJFWSA-N 1 2 264.325 1.286 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccoc1 ZINC001050820409 936565566 /nfs/dbraw/zinc/56/55/66/936565566.db2.gz PDZKEAFLQTUGSI-CYBMUJFWSA-N 1 2 264.325 1.286 20 30 CDEDLO N#Cc1cncc(Nc2ccc[nH+]c2N2CCOCC2)n1 ZINC001212352060 919237833 /nfs/dbraw/zinc/23/78/33/919237833.db2.gz GLQUKIUULMJTPH-UHFFFAOYSA-N 1 2 282.307 1.323 20 30 CDEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001051071375 936568077 /nfs/dbraw/zinc/56/80/77/936568077.db2.gz YQULKPRKMWFYQD-FRRDWIJNSA-N 1 2 252.358 1.036 20 30 CDEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001051071375 936568079 /nfs/dbraw/zinc/56/80/79/936568079.db2.gz YQULKPRKMWFYQD-FRRDWIJNSA-N 1 2 252.358 1.036 20 30 CDEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC001051128566 936569580 /nfs/dbraw/zinc/56/95/80/936569580.db2.gz ZNGURLCLTZZJNS-QLFBSQMISA-N 1 2 296.411 1.337 20 30 CDEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC001051128566 936569581 /nfs/dbraw/zinc/56/95/81/936569581.db2.gz ZNGURLCLTZZJNS-QLFBSQMISA-N 1 2 296.411 1.337 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2CCC=C)cn1 ZINC001051217726 936570128 /nfs/dbraw/zinc/57/01/28/936570128.db2.gz TZBIRAIUIFMAAI-MRXNPFEDSA-N 1 2 299.374 1.070 20 30 CDEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2CCC=C)cn1 ZINC001051217726 936570129 /nfs/dbraw/zinc/57/01/29/936570129.db2.gz TZBIRAIUIFMAAI-MRXNPFEDSA-N 1 2 299.374 1.070 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001032515253 919304380 /nfs/dbraw/zinc/30/43/80/919304380.db2.gz OSAMKBOVGBPEGO-IGQOVBAYSA-N 1 2 260.381 1.587 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001032515253 919304395 /nfs/dbraw/zinc/30/43/95/919304395.db2.gz OSAMKBOVGBPEGO-IGQOVBAYSA-N 1 2 260.381 1.587 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(F)cn2)C1=O ZINC001272801812 919319715 /nfs/dbraw/zinc/31/97/15/919319715.db2.gz IPSDQRMIYCZTOI-MRXNPFEDSA-N 1 2 289.354 1.974 20 30 CDEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(F)cn2)C1=O ZINC001272801812 919319725 /nfs/dbraw/zinc/31/97/25/919319725.db2.gz IPSDQRMIYCZTOI-MRXNPFEDSA-N 1 2 289.354 1.974 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001032533620 919350551 /nfs/dbraw/zinc/35/05/51/919350551.db2.gz FQZFYGAHSKICMX-QRJUGERDSA-N 1 2 272.392 1.731 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001032533620 919350559 /nfs/dbraw/zinc/35/05/59/919350559.db2.gz FQZFYGAHSKICMX-QRJUGERDSA-N 1 2 272.392 1.731 20 30 CDEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C3(C)CCC3)C2)CC1 ZINC001052066885 936576039 /nfs/dbraw/zinc/57/60/39/936576039.db2.gz YQMOTPROMFXPMK-HNNXBMFYSA-N 1 2 289.423 1.028 20 30 CDEDLO C=CC[NH+]1CCC([C@H](C)NC(=O)c2[nH]ncc2F)CC1 ZINC000997741994 919370678 /nfs/dbraw/zinc/37/06/78/919370678.db2.gz LOAAACORWBTMSI-JTQLQIEISA-N 1 2 280.347 1.565 20 30 CDEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001185071424 919411337 /nfs/dbraw/zinc/41/13/37/919411337.db2.gz WEJZHOBTACWAGH-NWDGAFQWSA-N 1 2 294.424 1.831 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1C1CC1 ZINC001032591409 919455186 /nfs/dbraw/zinc/45/51/86/919455186.db2.gz UZLDHYLMZJCYAF-STQMWFEESA-N 1 2 269.348 1.424 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1C1CC1 ZINC001032591409 919455196 /nfs/dbraw/zinc/45/51/96/919455196.db2.gz UZLDHYLMZJCYAF-STQMWFEESA-N 1 2 269.348 1.424 20 30 CDEDLO NC(=[NH+]OCC(=O)NC(C1CC1)C1CC1)c1ccccc1 ZINC000073570035 919506407 /nfs/dbraw/zinc/50/64/07/919506407.db2.gz QQJLKZDOJBAZKA-UHFFFAOYSA-N 1 2 287.363 1.628 20 30 CDEDLO C=CCCCC(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001185296359 919529391 /nfs/dbraw/zinc/52/93/91/919529391.db2.gz MNXCXZQUZGDIOZ-LLVKDONJSA-N 1 2 280.397 1.585 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC1CCOCC1 ZINC001032664982 919699747 /nfs/dbraw/zinc/69/97/47/919699747.db2.gz UCPUJLLEOJJYNL-GJZGRUSLSA-N 1 2 276.380 1.112 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC1CCOCC1 ZINC001032664982 919699756 /nfs/dbraw/zinc/69/97/56/919699756.db2.gz UCPUJLLEOJJYNL-GJZGRUSLSA-N 1 2 276.380 1.112 20 30 CDEDLO N#CCN[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000999684113 919780794 /nfs/dbraw/zinc/78/07/94/919780794.db2.gz RLKDAWQTJWYZKJ-GFCCVEGCSA-N 1 2 283.335 1.052 20 30 CDEDLO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)n[nH]c1C(C)C ZINC001032721824 919818368 /nfs/dbraw/zinc/81/83/68/919818368.db2.gz JRKJEFMVFZUBNS-STQMWFEESA-N 1 2 288.395 1.926 20 30 CDEDLO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)n[nH]c1C(C)C ZINC001032721824 919818385 /nfs/dbraw/zinc/81/83/85/919818385.db2.gz JRKJEFMVFZUBNS-STQMWFEESA-N 1 2 288.395 1.926 20 30 CDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@](C)(OC)c1ccccc1 ZINC001032739759 919869280 /nfs/dbraw/zinc/86/92/80/919869280.db2.gz WEEXULWRJXMXBR-BQFCYCMXSA-N 1 2 298.386 1.467 20 30 CDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@](C)(OC)c1ccccc1 ZINC001032739759 919869294 /nfs/dbraw/zinc/86/92/94/919869294.db2.gz WEEXULWRJXMXBR-BQFCYCMXSA-N 1 2 298.386 1.467 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(C3CC3)CC2)C1 ZINC001108014562 919947234 /nfs/dbraw/zinc/94/72/34/919947234.db2.gz BHPQQAWFZPYRRD-OAHLLOKOSA-N 1 2 278.396 1.570 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2(C3CC3)CC2)C1 ZINC001108014562 919947242 /nfs/dbraw/zinc/94/72/42/919947242.db2.gz BHPQQAWFZPYRRD-OAHLLOKOSA-N 1 2 278.396 1.570 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)COC)C2 ZINC001110379790 919989050 /nfs/dbraw/zinc/98/90/50/919989050.db2.gz CJXWROJAYPPGRM-SQNXGDPESA-N 1 2 286.803 1.743 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)COC)C2 ZINC001110379790 919989064 /nfs/dbraw/zinc/98/90/64/919989064.db2.gz CJXWROJAYPPGRM-SQNXGDPESA-N 1 2 286.803 1.743 20 30 CDEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CCCO1 ZINC001139530985 936626818 /nfs/dbraw/zinc/62/68/18/936626818.db2.gz ZVVXXTVXFVOKCH-CQSZACIVSA-N 1 2 292.310 1.461 20 30 CDEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CCCO1 ZINC001139530985 936626819 /nfs/dbraw/zinc/62/68/19/936626819.db2.gz ZVVXXTVXFVOKCH-CQSZACIVSA-N 1 2 292.310 1.461 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1nccc2occc21 ZINC001038543823 920051384 /nfs/dbraw/zinc/05/13/84/920051384.db2.gz OZKLJXWZXATMMY-NSHDSACASA-N 1 2 269.304 1.265 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1nccc2occc21 ZINC001038543823 920051399 /nfs/dbraw/zinc/05/13/99/920051399.db2.gz OZKLJXWZXATMMY-NSHDSACASA-N 1 2 269.304 1.265 20 30 CDEDLO Cc1nocc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C#N)C2 ZINC001110394851 920568416 /nfs/dbraw/zinc/56/84/16/920568416.db2.gz NXCAPVDAJPVIBZ-VKKKGTNTSA-N 1 2 288.351 1.364 20 30 CDEDLO Cc1nocc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C#N)C2 ZINC001110394851 920568437 /nfs/dbraw/zinc/56/84/37/920568437.db2.gz NXCAPVDAJPVIBZ-VKKKGTNTSA-N 1 2 288.351 1.364 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccns2)CC[C@@H]1C ZINC001071543737 936684565 /nfs/dbraw/zinc/68/45/65/936684565.db2.gz NCJCHDMMUPBILM-QWRGUYRKSA-N 1 2 263.366 1.359 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccns2)CC[C@@H]1C ZINC001071543737 936684566 /nfs/dbraw/zinc/68/45/66/936684566.db2.gz NCJCHDMMUPBILM-QWRGUYRKSA-N 1 2 263.366 1.359 20 30 CDEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2[nH]ncc2F)CC[C@@H]1C ZINC001071800204 936692017 /nfs/dbraw/zinc/69/20/17/936692017.db2.gz SNHFPDYQMYHHIZ-UWVGGRQHSA-N 1 2 266.320 1.318 20 30 CDEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2[nH]ncc2F)CC[C@@H]1C ZINC001071800204 936692019 /nfs/dbraw/zinc/69/20/19/936692019.db2.gz SNHFPDYQMYHHIZ-UWVGGRQHSA-N 1 2 266.320 1.318 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(N)=O)C2)CC1 ZINC001071796445 936692144 /nfs/dbraw/zinc/69/21/44/936692144.db2.gz RSADHNLUCHECTQ-TZMCWYRMSA-N 1 2 293.411 1.187 20 30 CDEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(N)=O)C2)CC1 ZINC001071796445 936692145 /nfs/dbraw/zinc/69/21/45/936692145.db2.gz RSADHNLUCHECTQ-TZMCWYRMSA-N 1 2 293.411 1.187 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccncn2)CC[C@H]1C ZINC001071900818 936694012 /nfs/dbraw/zinc/69/40/12/936694012.db2.gz LQCLPEGVXBVJGE-VXGBXAGGSA-N 1 2 294.786 1.812 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccncn2)CC[C@H]1C ZINC001071900818 936694013 /nfs/dbraw/zinc/69/40/13/936694013.db2.gz LQCLPEGVXBVJGE-VXGBXAGGSA-N 1 2 294.786 1.812 20 30 CDEDLO CC(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397677324 936706995 /nfs/dbraw/zinc/70/69/95/936706995.db2.gz SCORBZPZNVQVFU-LBPRGKRZSA-N 1 2 258.387 1.435 20 30 CDEDLO CC(C)S(=O)(=O)CC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397677324 936706996 /nfs/dbraw/zinc/70/69/96/936706996.db2.gz SCORBZPZNVQVFU-LBPRGKRZSA-N 1 2 258.387 1.435 20 30 CDEDLO Cc1nc(C[N@@H+]2CCC3(CN(C(=O)C#CC4CC4)C3)C2)co1 ZINC001072721331 936708394 /nfs/dbraw/zinc/70/83/94/936708394.db2.gz NDLIJXCYYCWBRA-UHFFFAOYSA-N 1 2 299.374 1.431 20 30 CDEDLO Cc1nc(C[N@H+]2CCC3(CN(C(=O)C#CC4CC4)C3)C2)co1 ZINC001072721331 936708395 /nfs/dbraw/zinc/70/83/95/936708395.db2.gz NDLIJXCYYCWBRA-UHFFFAOYSA-N 1 2 299.374 1.431 20 30 CDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccnnc2)CC1 ZINC001004547335 921906188 /nfs/dbraw/zinc/90/61/88/921906188.db2.gz OOIFOCPWSQFSIX-HNNXBMFYSA-N 1 2 299.378 1.317 20 30 CDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccnnc2)CC1 ZINC001004547335 921906193 /nfs/dbraw/zinc/90/61/93/921906193.db2.gz OOIFOCPWSQFSIX-HNNXBMFYSA-N 1 2 299.378 1.317 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(C)CCCC2)C1 ZINC001108103681 922152827 /nfs/dbraw/zinc/15/28/27/922152827.db2.gz RROPFJYYUIGSMZ-MRXNPFEDSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2(C)CCCC2)C1 ZINC001108103681 922152835 /nfs/dbraw/zinc/15/28/35/922152835.db2.gz RROPFJYYUIGSMZ-MRXNPFEDSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](CC)[C@H]2C1 ZINC001074312612 936736428 /nfs/dbraw/zinc/73/64/28/936736428.db2.gz PPPIVEFAJRAJAD-QWHCGFSZSA-N 1 2 266.385 1.520 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](CC)[C@H]2C1 ZINC001074312612 936736429 /nfs/dbraw/zinc/73/64/29/936736429.db2.gz PPPIVEFAJRAJAD-QWHCGFSZSA-N 1 2 266.385 1.520 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccnc(C)n2)C1 ZINC001033676068 922311650 /nfs/dbraw/zinc/31/16/50/922311650.db2.gz UQXCLVGEGHLCNG-GFCCVEGCSA-N 1 2 294.786 1.684 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnc(C)n2)C1 ZINC001033676068 922311664 /nfs/dbraw/zinc/31/16/64/922311664.db2.gz UQXCLVGEGHLCNG-GFCCVEGCSA-N 1 2 294.786 1.684 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2=CCCC2)[C@@H](O)C1 ZINC001090170622 922425106 /nfs/dbraw/zinc/42/51/06/922425106.db2.gz MMSCIYDNMNLSMD-STQMWFEESA-N 1 2 284.787 1.401 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2=CCCC2)[C@@H](O)C1 ZINC001090170622 922425122 /nfs/dbraw/zinc/42/51/22/922425122.db2.gz MMSCIYDNMNLSMD-STQMWFEESA-N 1 2 284.787 1.401 20 30 CDEDLO COC(=O)C1(C#N)CCN(Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140806688 936758999 /nfs/dbraw/zinc/75/89/99/936758999.db2.gz NXJZZHFPNPQFBI-UHFFFAOYSA-N 1 2 298.346 1.842 20 30 CDEDLO C#CC[N@@H+](C)Cc1cnccc1NC(=O)OC(C)(C)C ZINC001140912211 936775501 /nfs/dbraw/zinc/77/55/01/936775501.db2.gz QHBZLWXJBFLGDM-UHFFFAOYSA-N 1 2 275.352 1.916 20 30 CDEDLO C#CC[N@H+](C)Cc1cnccc1NC(=O)OC(C)(C)C ZINC001140912211 936775502 /nfs/dbraw/zinc/77/55/02/936775502.db2.gz QHBZLWXJBFLGDM-UHFFFAOYSA-N 1 2 275.352 1.916 20 30 CDEDLO Cc1c(C#N)c(-n2[nH]c(=O)nc2C[NH3+])nc2ccccc12 ZINC001168755513 922719112 /nfs/dbraw/zinc/71/91/12/922719112.db2.gz FLTGRGUTBZAZFP-UHFFFAOYSA-N 1 2 280.291 1.160 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1occ2c1CCC2 ZINC001038558643 922807816 /nfs/dbraw/zinc/80/78/16/922807816.db2.gz MYICIUPKDWASLO-CYBMUJFWSA-N 1 2 272.348 1.596 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1occ2c1CCC2 ZINC001038558643 922807833 /nfs/dbraw/zinc/80/78/33/922807833.db2.gz MYICIUPKDWASLO-CYBMUJFWSA-N 1 2 272.348 1.596 20 30 CDEDLO C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)Nc1ccc(C#N)nc1 ZINC001099405065 936788615 /nfs/dbraw/zinc/78/86/15/936788615.db2.gz MAYQZCOQROILKA-NSHDSACASA-N 1 2 298.350 1.226 20 30 CDEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C)o2)C1 ZINC001035285654 922955639 /nfs/dbraw/zinc/95/56/39/922955639.db2.gz CPBAMXJVWZWHSN-CYBMUJFWSA-N 1 2 276.336 1.042 20 30 CDEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccc(C)o2)C1 ZINC001035285654 922955648 /nfs/dbraw/zinc/95/56/48/922955648.db2.gz CPBAMXJVWZWHSN-CYBMUJFWSA-N 1 2 276.336 1.042 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2occc2C)C1 ZINC001035282590 922956032 /nfs/dbraw/zinc/95/60/32/922956032.db2.gz XJRMPMVCPSYETA-CYBMUJFWSA-N 1 2 278.352 1.595 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2occc2C)C1 ZINC001035282590 922956050 /nfs/dbraw/zinc/95/60/50/922956050.db2.gz XJRMPMVCPSYETA-CYBMUJFWSA-N 1 2 278.352 1.595 20 30 CDEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001035343315 922973868 /nfs/dbraw/zinc/97/38/68/922973868.db2.gz PAJHHHXAVWKASD-STQMWFEESA-N 1 2 266.385 1.426 20 30 CDEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001035343315 922973878 /nfs/dbraw/zinc/97/38/78/922973878.db2.gz PAJHHHXAVWKASD-STQMWFEESA-N 1 2 266.385 1.426 20 30 CDEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001035617316 923018704 /nfs/dbraw/zinc/01/87/04/923018704.db2.gz RMUHGLXIJGOKGS-FJBKBRRZSA-N 1 2 292.423 1.816 20 30 CDEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001035617316 923018721 /nfs/dbraw/zinc/01/87/21/923018721.db2.gz RMUHGLXIJGOKGS-FJBKBRRZSA-N 1 2 292.423 1.816 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)cc(C(N)=O)c1 ZINC000836854570 936805874 /nfs/dbraw/zinc/80/58/74/936805874.db2.gz DTZHEKUYXTYJFS-AWEZNQCLSA-N 1 2 285.347 1.130 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)cc(C(N)=O)c1 ZINC000836854570 936805877 /nfs/dbraw/zinc/80/58/77/936805877.db2.gz DTZHEKUYXTYJFS-AWEZNQCLSA-N 1 2 285.347 1.130 20 30 CDEDLO C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1NCC#N ZINC001036076593 923100706 /nfs/dbraw/zinc/10/07/06/923100706.db2.gz LAUUXZYKXIIOOP-AAEUAGOBSA-N 1 2 297.362 1.527 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCC#CC)[C@H](O)C1 ZINC001099959858 936825564 /nfs/dbraw/zinc/82/55/64/936825564.db2.gz KCRZQFWXQPNAOC-ZIAGYGMSSA-N 1 2 298.814 1.484 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCC#CC)[C@H](O)C1 ZINC001099959858 936825566 /nfs/dbraw/zinc/82/55/66/936825566.db2.gz KCRZQFWXQPNAOC-ZIAGYGMSSA-N 1 2 298.814 1.484 20 30 CDEDLO N#C[C@@H]1CSCCN1C(=O)c1cccc2[nH+]ccn21 ZINC000775571805 923467189 /nfs/dbraw/zinc/46/71/89/923467189.db2.gz JJZRDGXMKVXSST-SNVBAGLBSA-N 1 2 272.333 1.415 20 30 CDEDLO CC(C)(C)C#CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000837494439 936845046 /nfs/dbraw/zinc/84/50/46/936845046.db2.gz ZMEXREDHIVYOEN-CYBMUJFWSA-N 1 2 271.364 1.826 20 30 CDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C2(SC)CCC2)C1 ZINC000923560779 923932232 /nfs/dbraw/zinc/93/22/32/923932232.db2.gz IBHPSLHXNWYPRQ-LBPRGKRZSA-N 1 2 266.410 1.486 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C2(SC)CCC2)C1 ZINC000923560779 923932240 /nfs/dbraw/zinc/93/22/40/923932240.db2.gz IBHPSLHXNWYPRQ-LBPRGKRZSA-N 1 2 266.410 1.486 20 30 CDEDLO C#CCC[C@@H](O)CNC(=O)NCc1c[nH+]c(C)cc1C ZINC000838720760 936887494 /nfs/dbraw/zinc/88/74/94/936887494.db2.gz QUZKVYVMZRRTHB-CQSZACIVSA-N 1 2 275.352 1.272 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CCCN(C=O)CC2)c1F ZINC000839023084 936901897 /nfs/dbraw/zinc/90/18/97/936901897.db2.gz NWZNIVGCMRGQFJ-UHFFFAOYSA-N 1 2 261.300 1.361 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CCCN(C=O)CC2)c1F ZINC000839023084 936901900 /nfs/dbraw/zinc/90/19/00/936901900.db2.gz NWZNIVGCMRGQFJ-UHFFFAOYSA-N 1 2 261.300 1.361 20 30 CDEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCOC2)C1 ZINC001079480141 924334319 /nfs/dbraw/zinc/33/43/19/924334319.db2.gz GFDNRJLUMDHOCF-KGYLQXTDSA-N 1 2 286.803 1.602 20 30 CDEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCOC2)C1 ZINC001079480141 924334328 /nfs/dbraw/zinc/33/43/28/924334328.db2.gz GFDNRJLUMDHOCF-KGYLQXTDSA-N 1 2 286.803 1.602 20 30 CDEDLO C=CCCC(=O)N1CCC[N@@H+](Cc2ccnn2C)CC1 ZINC001195191532 924489638 /nfs/dbraw/zinc/48/96/38/924489638.db2.gz JUUOGBVGKYKBPB-UHFFFAOYSA-N 1 2 276.384 1.421 20 30 CDEDLO C=CCCC(=O)N1CCC[N@H+](Cc2ccnn2C)CC1 ZINC001195191532 924489641 /nfs/dbraw/zinc/48/96/41/924489641.db2.gz JUUOGBVGKYKBPB-UHFFFAOYSA-N 1 2 276.384 1.421 20 30 CDEDLO C=CCN1CCN(C[N@H+]2CCSC[C@H]2C)C1=O ZINC000840011304 936932800 /nfs/dbraw/zinc/93/28/00/936932800.db2.gz ZCHASGGMWALPJU-LLVKDONJSA-N 1 2 255.387 1.305 20 30 CDEDLO C=CCN1CCN(C[N@@H+]2CCSC[C@H]2C)C1=O ZINC000840011304 936932803 /nfs/dbraw/zinc/93/28/03/936932803.db2.gz ZCHASGGMWALPJU-LLVKDONJSA-N 1 2 255.387 1.305 20 30 CDEDLO CC(C)[C@@H]1C[N@H+](Cn2cccc(C#N)c2=O)CCCO1 ZINC000840098101 936937759 /nfs/dbraw/zinc/93/77/59/936937759.db2.gz XPGZWKDMCJJAKD-AWEZNQCLSA-N 1 2 275.352 1.424 20 30 CDEDLO CC(C)[C@@H]1C[N@@H+](Cn2cccc(C#N)c2=O)CCCO1 ZINC000840098101 936937762 /nfs/dbraw/zinc/93/77/62/936937762.db2.gz XPGZWKDMCJJAKD-AWEZNQCLSA-N 1 2 275.352 1.424 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)oc(C)c2C)[C@H](OC)C1 ZINC001081918339 924820005 /nfs/dbraw/zinc/82/00/05/924820005.db2.gz VQJRJOIOWLQIBV-ZIAGYGMSSA-N 1 2 290.363 1.267 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)oc(C)c2C)[C@H](OC)C1 ZINC001081918339 924820018 /nfs/dbraw/zinc/82/00/18/924820018.db2.gz VQJRJOIOWLQIBV-ZIAGYGMSSA-N 1 2 290.363 1.267 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(CF)cc2)[C@H](OC)C1 ZINC001082389804 924911204 /nfs/dbraw/zinc/91/12/04/924911204.db2.gz JFUXGMBLCAMYKQ-HUUCEWRRSA-N 1 2 290.338 1.218 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(CF)cc2)[C@H](OC)C1 ZINC001082389804 924911208 /nfs/dbraw/zinc/91/12/08/924911208.db2.gz JFUXGMBLCAMYKQ-HUUCEWRRSA-N 1 2 290.338 1.218 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCOC3)[C@@H]2C1 ZINC001084219037 925192397 /nfs/dbraw/zinc/19/23/97/925192397.db2.gz NTSAAZQKNZISGE-JHJVBQTASA-N 1 2 284.787 1.308 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCOC3)[C@@H]2C1 ZINC001084219037 925192400 /nfs/dbraw/zinc/19/24/00/925192400.db2.gz NTSAAZQKNZISGE-JHJVBQTASA-N 1 2 284.787 1.308 20 30 CDEDLO Cc1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)[C@@H]3C2)o1 ZINC001084236266 925199265 /nfs/dbraw/zinc/19/92/65/925199265.db2.gz CGGMJDULMKYGGX-MPKXVKKWSA-N 1 2 288.351 1.175 20 30 CDEDLO Cc1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)[C@@H]3C2)o1 ZINC001084236266 925199272 /nfs/dbraw/zinc/19/92/72/925199272.db2.gz CGGMJDULMKYGGX-MPKXVKKWSA-N 1 2 288.351 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/nfs/dbraw/zinc/20/61/57/926206157.db2.gz YCYPTFOHNSCOSR-AWEZNQCLSA-N 1 2 294.358 1.409 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2cccnc2n1 ZINC001085606792 926206163 /nfs/dbraw/zinc/20/61/63/926206163.db2.gz YCYPTFOHNSCOSR-AWEZNQCLSA-N 1 2 294.358 1.409 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn2ccc(C)cc2n1 ZINC001085704136 926304638 /nfs/dbraw/zinc/30/46/38/926304638.db2.gz IHTBPFDAPNQWAY-AWEZNQCLSA-N 1 2 296.374 1.422 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn2ccc(C)cc2n1 ZINC001085704136 926304643 /nfs/dbraw/zinc/30/46/43/926304643.db2.gz IHTBPFDAPNQWAY-AWEZNQCLSA-N 1 2 296.374 1.422 20 30 CDEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1CC ZINC001201575019 926337437 /nfs/dbraw/zinc/33/74/37/926337437.db2.gz HVUUNMYJEQRGBT-GFCCVEGCSA-N 1 2 250.346 1.420 20 30 CDEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1CC ZINC001201575019 926337446 /nfs/dbraw/zinc/33/74/46/926337446.db2.gz HVUUNMYJEQRGBT-GFCCVEGCSA-N 1 2 250.346 1.420 20 30 CDEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CC(=O)NC)CC1 ZINC001085798477 926402546 /nfs/dbraw/zinc/40/25/46/926402546.db2.gz SIEQXMVSTOHTHC-CQSZACIVSA-N 1 2 293.411 1.012 20 30 CDEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CC(=O)NC)CC1 ZINC001085798477 926402551 /nfs/dbraw/zinc/40/25/51/926402551.db2.gz SIEQXMVSTOHTHC-CQSZACIVSA-N 1 2 293.411 1.012 20 30 CDEDLO C#CCCCC(=O)N(C)[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102704003 937080742 /nfs/dbraw/zinc/08/07/42/937080742.db2.gz IOQPNIUHCRJDTM-AWEZNQCLSA-N 1 2 286.379 1.626 20 30 CDEDLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142922873 937093727 /nfs/dbraw/zinc/09/37/27/937093727.db2.gz ZHRGZECRUFJQER-LLVKDONJSA-N 1 2 282.347 1.702 20 30 CDEDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142922873 937093731 /nfs/dbraw/zinc/09/37/31/937093731.db2.gz ZHRGZECRUFJQER-LLVKDONJSA-N 1 2 282.347 1.702 20 30 CDEDLO CC#CCCCC(=O)O[C@H](COC)C[N@@H+]1CCO[C@@H](C)C1 ZINC000842972942 937097641 /nfs/dbraw/zinc/09/76/41/937097641.db2.gz JURNLBJNGVDJNW-GJZGRUSLSA-N 1 2 297.395 1.459 20 30 CDEDLO CC#CCCCC(=O)O[C@H](COC)C[N@H+]1CCO[C@@H](C)C1 ZINC000842972942 937097645 /nfs/dbraw/zinc/09/76/45/937097645.db2.gz JURNLBJNGVDJNW-GJZGRUSLSA-N 1 2 297.395 1.459 20 30 CDEDLO C=CCCOCC(=O)NC[C@@H](CC)Nc1cc[nH+]c(C)n1 ZINC001103114790 937122884 /nfs/dbraw/zinc/12/28/84/937122884.db2.gz TUIDNFPQWPXAFT-CYBMUJFWSA-N 1 2 292.383 1.684 20 30 CDEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCC2(C)CC2)C1 ZINC001108320686 927377970 /nfs/dbraw/zinc/37/79/70/927377970.db2.gz NIGPZFKOQLZTAF-MRXNPFEDSA-N 1 2 280.412 1.960 20 30 CDEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCC2(C)CC2)C1 ZINC001108320686 927377986 /nfs/dbraw/zinc/37/79/86/927377986.db2.gz NIGPZFKOQLZTAF-MRXNPFEDSA-N 1 2 280.412 1.960 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2c[nH]cc2C)C1 ZINC001108396464 927467002 /nfs/dbraw/zinc/46/70/02/927467002.db2.gz AOQVSVGBKXTVMR-MRXNPFEDSA-N 1 2 289.379 1.167 20 30 CDEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2c[nH]cc2C)C1 ZINC001108396464 927467010 /nfs/dbraw/zinc/46/70/10/927467010.db2.gz AOQVSVGBKXTVMR-MRXNPFEDSA-N 1 2 289.379 1.167 20 30 CDEDLO C#CCOCC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000851726136 927611776 /nfs/dbraw/zinc/61/17/76/927611776.db2.gz MIOAQWUKSZAHHJ-HNNXBMFYSA-N 1 2 263.312 1.849 20 30 CDEDLO C#CCOCC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000851726136 927611782 /nfs/dbraw/zinc/61/17/82/927611782.db2.gz MIOAQWUKSZAHHJ-HNNXBMFYSA-N 1 2 263.312 1.849 20 30 CDEDLO C#CC[NH+](CC#C)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851794155 927630924 /nfs/dbraw/zinc/63/09/24/927630924.db2.gz PQMYVOHNQBVGDP-AWEZNQCLSA-N 1 2 292.379 1.191 20 30 CDEDLO C#CCOCC[NH2+]C1(C(=O)OC(C)(C)C)CCCC1 ZINC000851844044 927640876 /nfs/dbraw/zinc/64/08/76/927640876.db2.gz QAAQLCDPUNMJSL-UHFFFAOYSA-N 1 2 267.369 1.880 20 30 CDEDLO C#CCC[N@@H+](CCOC)Cc1nccn1C(F)F ZINC000852751558 927860830 /nfs/dbraw/zinc/86/08/30/927860830.db2.gz HHSSIJKBCBTRML-UHFFFAOYSA-N 1 2 257.284 1.750 20 30 CDEDLO C#CCC[N@H+](CCOC)Cc1nccn1C(F)F ZINC000852751558 927860845 /nfs/dbraw/zinc/86/08/45/927860845.db2.gz HHSSIJKBCBTRML-UHFFFAOYSA-N 1 2 257.284 1.750 20 30 CDEDLO Cc1[nH+]cc(C=NN[C@@H](CO)c2ccccc2)n1C ZINC000853339949 928005752 /nfs/dbraw/zinc/00/57/52/928005752.db2.gz HHNYSQZCUPIOLP-AWEZNQCLSA-N 1 2 258.325 1.386 20 30 CDEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1cnc(Cl)c(F)c1 ZINC001156319702 928035964 /nfs/dbraw/zinc/03/59/64/928035964.db2.gz BEHWTOMHDMAHDB-QMMMGPOBSA-N 1 2 290.676 1.721 20 30 CDEDLO C=CC[N@@H+](CN1C(=O)C[C@](C)(CC)C1=O)[C@@H](C)COC ZINC000853535709 928039426 /nfs/dbraw/zinc/03/94/26/928039426.db2.gz ZZBKLBXRKQYWSP-WFASDCNBSA-N 1 2 282.384 1.642 20 30 CDEDLO C=CC[N@H+](CN1C(=O)C[C@](C)(CC)C1=O)[C@@H](C)COC ZINC000853535709 928039435 /nfs/dbraw/zinc/03/94/35/928039435.db2.gz ZZBKLBXRKQYWSP-WFASDCNBSA-N 1 2 282.384 1.642 20 30 CDEDLO N#Cc1c2c(cn(Cc3ccc[nH+]c3N)c1=O)CCCC2 ZINC000853704389 928080263 /nfs/dbraw/zinc/08/02/63/928080263.db2.gz JUHMTIFLLWYWJY-UHFFFAOYSA-N 1 2 280.331 1.624 20 30 CDEDLO Cc1cc(N2CC[NH2+]C[C@@H]2C#N)nc(C(C)(C)C)n1 ZINC001156327799 928080719 /nfs/dbraw/zinc/08/07/19/928080719.db2.gz MJLIIGYFYOKZIJ-NSHDSACASA-N 1 2 259.357 1.384 20 30 CDEDLO Cc1cc(N(C)C)nc(NC=CC(=O)C(F)(F)F)[nH+]1 ZINC001169472913 928103154 /nfs/dbraw/zinc/10/31/54/928103154.db2.gz AIBKMCHIHBXHQK-SNAWJCMRSA-N 1 2 274.246 1.908 20 30 CDEDLO COc1c(C)c[nH+]c(CNC(=O)NC[C@H](C)C#N)c1C ZINC000781933201 937233357 /nfs/dbraw/zinc/23/33/57/937233357.db2.gz LOEMFNIELJHVQM-SECBINFHSA-N 1 2 276.340 1.666 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CCNC2=O ZINC000855248676 928378657 /nfs/dbraw/zinc/37/86/57/928378657.db2.gz NIMDZCBSTCKDOG-HNNXBMFYSA-N 1 2 297.358 1.009 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CCNC2=O ZINC000855248676 928378667 /nfs/dbraw/zinc/37/86/67/928378667.db2.gz NIMDZCBSTCKDOG-HNNXBMFYSA-N 1 2 297.358 1.009 20 30 CDEDLO C#CCC[NH+]1CCN(S(=O)(=O)CCC(C)(C)C)CC1 ZINC000113283166 928405085 /nfs/dbraw/zinc/40/50/85/928405085.db2.gz LCCMLWFJLGXLGS-UHFFFAOYSA-N 1 2 286.441 1.393 20 30 CDEDLO COc1ncnc(N)c1C=[NH+]NCCC(C)(C)C ZINC000782902681 937262188 /nfs/dbraw/zinc/26/21/88/937262188.db2.gz HDPJETSNZASWQC-UHFFFAOYSA-N 1 2 251.334 1.427 20 30 CDEDLO Cc1nc(N(C)C[C@H](C)NC(=O)[C@H](C)C#N)c(C)c(C)[nH+]1 ZINC001108881063 928691161 /nfs/dbraw/zinc/69/11/61/928691161.db2.gz WNWWUTUMEQHNAC-ZJUUUORDSA-N 1 2 289.383 1.502 20 30 CDEDLO C=C[C@](C)(O)CC(=O)N[C@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001108922619 928725417 /nfs/dbraw/zinc/72/54/17/928725417.db2.gz BICKBAJVCSLJII-ABAIWWIYSA-N 1 2 292.383 1.053 20 30 CDEDLO Cc1nc(N(C)C[C@@H](C)NC(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001108946321 928739475 /nfs/dbraw/zinc/73/94/75/928739475.db2.gz GQEQETWCBBQGAD-SNVBAGLBSA-N 1 2 298.350 1.240 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001109037669 928777243 /nfs/dbraw/zinc/77/72/43/928777243.db2.gz CIAZMBCJUZGADW-MQYQWHSLSA-N 1 2 284.375 1.659 20 30 CDEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001109037669 928777252 /nfs/dbraw/zinc/77/72/52/928777252.db2.gz CIAZMBCJUZGADW-MQYQWHSLSA-N 1 2 284.375 1.659 20 30 CDEDLO N#Cc1cccc(OCC(=O)N[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000857944782 928777719 /nfs/dbraw/zinc/77/77/19/928777719.db2.gz ADHBSDLBNQVVEP-ZDUSSCGKSA-N 1 2 296.330 1.265 20 30 CDEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)OC)C2 ZINC001109052369 928780989 /nfs/dbraw/zinc/78/09/89/928780989.db2.gz XCXYZRSDUQHMOJ-RNJOBUHISA-N 1 2 286.803 1.885 20 30 CDEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)OC)C2 ZINC001109052369 928780992 /nfs/dbraw/zinc/78/09/92/928780992.db2.gz XCXYZRSDUQHMOJ-RNJOBUHISA-N 1 2 286.803 1.885 20 30 CDEDLO C#CC[NH+]1CCN(c2cc(O[C@H](C)CC)nc(C)n2)CC1 ZINC000858337929 928843423 /nfs/dbraw/zinc/84/34/23/928843423.db2.gz PKLAFJIXBZQVEB-CYBMUJFWSA-N 1 2 288.395 1.718 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)N(C)CCCNc1cc[nH+]c(C)n1 ZINC001109427466 928931674 /nfs/dbraw/zinc/93/16/74/928931674.db2.gz GUQGIGCCWDYBRL-OAHLLOKOSA-N 1 2 292.383 1.373 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC ZINC001109631525 928995144 /nfs/dbraw/zinc/99/51/44/928995144.db2.gz DZWSSCMOFOKTJI-MQYQWHSLSA-N 1 2 293.411 1.056 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC ZINC001109631525 928995157 /nfs/dbraw/zinc/99/51/57/928995157.db2.gz DZWSSCMOFOKTJI-MQYQWHSLSA-N 1 2 293.411 1.056 20 30 CDEDLO C=C[C@@](C)(O)CNc1ccccc1C[NH+]1CCOCC1 ZINC001252559734 929291953 /nfs/dbraw/zinc/29/19/53/929291953.db2.gz BNOIUJOSOWGIHJ-MRXNPFEDSA-N 1 2 276.380 1.868 20 30 CDEDLO C=CCOCC[NH+]1CCN(C(=O)c2cnccc2C)CC1 ZINC001112739118 929370380 /nfs/dbraw/zinc/37/03/80/929370380.db2.gz WWXGTQVVFIFTTI-UHFFFAOYSA-N 1 2 289.379 1.350 20 30 CDEDLO C#CCn1ccc(CN(CC)Cc2[nH]c(C)c(C)[nH+]2)n1 ZINC000862352150 929400870 /nfs/dbraw/zinc/40/08/70/929400870.db2.gz YIOYCNBKJJYZGI-UHFFFAOYSA-N 1 2 271.368 1.878 20 30 CDEDLO CN(C)c1cc(F)c(C=[NH+]Nc2cnnn2C)cc1F ZINC000863117580 929506253 /nfs/dbraw/zinc/50/62/53/929506253.db2.gz XDTQOCGWOALYCC-UHFFFAOYSA-N 1 2 280.282 1.605 20 30 CDEDLO CC[N@H+](Cc1ncc(C)s1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152414202 937360395 /nfs/dbraw/zinc/36/03/95/937360395.db2.gz XDXNIWMZFLDKAI-GHMZBOCLSA-N 1 2 294.424 1.938 20 30 CDEDLO CC[N@@H+](Cc1ncc(C)s1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152414202 937360396 /nfs/dbraw/zinc/36/03/96/937360396.db2.gz XDXNIWMZFLDKAI-GHMZBOCLSA-N 1 2 294.424 1.938 20 30 CDEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1cnnn1C ZINC000814984174 929911219 /nfs/dbraw/zinc/91/12/19/929911219.db2.gz WJKSFPPVCYXANI-UHFFFAOYSA-N 1 2 270.340 1.619 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CC)cn1 ZINC000882718671 930065184 /nfs/dbraw/zinc/06/51/84/930065184.db2.gz LZGUXBXCIJPBRW-ZDUSSCGKSA-N 1 2 257.337 1.680 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CC)cn1 ZINC000882718671 930065194 /nfs/dbraw/zinc/06/51/94/930065194.db2.gz LZGUXBXCIJPBRW-ZDUSSCGKSA-N 1 2 257.337 1.680 20 30 CDEDLO C=C(C)C[C@H](CO)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000882902619 930098746 /nfs/dbraw/zinc/09/87/46/930098746.db2.gz KKLQQZUDUCTURI-VXGBXAGGSA-N 1 2 251.330 1.278 20 30 CDEDLO C#CC1(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)CCCC1 ZINC000883143569 930151195 /nfs/dbraw/zinc/15/11/95/930151195.db2.gz OIUMZOUXRJWEDL-LBPRGKRZSA-N 1 2 260.341 1.517 20 30 CDEDLO C#CC1(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCCC1 ZINC000883551906 930224826 /nfs/dbraw/zinc/22/48/26/930224826.db2.gz CCXISGOSZSAESN-AWEZNQCLSA-N 1 2 298.390 1.906 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1ccccc1 ZINC000884044097 930408546 /nfs/dbraw/zinc/40/85/46/930408546.db2.gz UMRUIUQIKLLWCH-ZDUSSCGKSA-N 1 2 276.336 1.092 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[C@H]1CCCC[C@@H]1C ZINC000884134692 930455613 /nfs/dbraw/zinc/45/56/13/930455613.db2.gz ONXQXKAPMJURQW-MJBXVCDLSA-N 1 2 296.411 1.766 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC1CC1)CC1CC1 ZINC000884142795 930458669 /nfs/dbraw/zinc/45/86/69/930458669.db2.gz LVENUSUAMVBBTB-ZDUSSCGKSA-N 1 2 280.368 1.082 20 30 CDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(F)(F)C[C@@H]1C ZINC000884436574 930566154 /nfs/dbraw/zinc/56/61/54/930566154.db2.gz ISBRVAOVBSIKQQ-UWVGGRQHSA-N 1 2 290.310 1.079 20 30 CDEDLO CCc1nnc(CO[NH+]=C(N)Cc2ccccc2)o1 ZINC000136640042 930803478 /nfs/dbraw/zinc/80/34/78/930803478.db2.gz TWKGTINIXSNRBY-UHFFFAOYSA-N 1 2 260.297 1.664 20 30 CDEDLO CC[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000886472233 930887258 /nfs/dbraw/zinc/88/72/58/930887258.db2.gz SLMFAKWWWLAQRG-CYBMUJFWSA-N 1 2 293.392 1.273 20 30 CDEDLO CC[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000886472233 930887262 /nfs/dbraw/zinc/88/72/62/930887262.db2.gz SLMFAKWWWLAQRG-CYBMUJFWSA-N 1 2 293.392 1.273 20 30 CDEDLO C=CCC1(O)CC[NH+]([C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000886771980 930956812 /nfs/dbraw/zinc/95/68/12/930956812.db2.gz QQYONNSJILPVQO-AWEZNQCLSA-N 1 2 292.354 1.755 20 30 CDEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cccnc2)cc1 ZINC001170984462 931144980 /nfs/dbraw/zinc/14/49/80/931144980.db2.gz AMKKABISHMOKSQ-UHFFFAOYSA-N 1 2 255.277 1.905 20 30 CDEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](CC(=O)OC(C)C)CC2 ZINC001274061452 931151428 /nfs/dbraw/zinc/15/14/28/931151428.db2.gz INQBAWFDKGJPHH-CYBMUJFWSA-N 1 2 294.395 1.342 20 30 CDEDLO Cc1cn(C(C)(C)C(=O)N2CCO[C@](C)(C#N)C2)c[nH+]1 ZINC000887692294 931202875 /nfs/dbraw/zinc/20/28/75/931202875.db2.gz JRQCXPCXTGGWRU-CQSZACIVSA-N 1 2 276.340 1.068 20 30 CDEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2c1cccc[nH+]1 ZINC001274740161 931563640 /nfs/dbraw/zinc/56/36/40/931563640.db2.gz SDNDFAFEWNCEBZ-ZIAGYGMSSA-N 1 2 284.363 1.955 20 30 CDEDLO N#Cc1ccc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)nc1 ZINC001144163278 931677797 /nfs/dbraw/zinc/67/77/97/931677797.db2.gz ZAWDKNSOIWXTDI-LBPRGKRZSA-N 1 2 260.316 1.181 20 30 CDEDLO N#Cc1ccc(CN2CC([N@H+]3CC[C@H](F)C3)C2)nc1 ZINC001144163278 931677800 /nfs/dbraw/zinc/67/78/00/931677800.db2.gz ZAWDKNSOIWXTDI-LBPRGKRZSA-N 1 2 260.316 1.181 20 30 CDEDLO C#CC[NH+]1CCN(Cc2[nH]nc3ccc(F)cc32)CC1 ZINC001144202949 931706256 /nfs/dbraw/zinc/70/62/56/931706256.db2.gz YVMHECAALSCESP-UHFFFAOYSA-N 1 2 272.327 1.453 20 30 CDEDLO C#CC[NH+]1CCN(Cc2n[nH]c3ccc(F)cc32)CC1 ZINC001144202949 931706260 /nfs/dbraw/zinc/70/62/60/931706260.db2.gz YVMHECAALSCESP-UHFFFAOYSA-N 1 2 272.327 1.453 20 30 CDEDLO C=C[C@H](C)ONC(=O)NCCNc1cccc[nH+]1 ZINC000845639620 931868087 /nfs/dbraw/zinc/86/80/87/931868087.db2.gz RDIHZUBAYWYNTN-JTQLQIEISA-N 1 2 250.302 1.299 20 30 CDEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2nc(C)c(C)o2)cn1 ZINC001148377499 932702870 /nfs/dbraw/zinc/70/28/70/932702870.db2.gz XYFXZAREMKQZIU-UHFFFAOYSA-N 1 2 298.346 1.187 20 30 CDEDLO Cc1nc(NC2CC(CNC(=O)[C@@H](C)C#N)C2)cc[nH+]1 ZINC001092206620 932929915 /nfs/dbraw/zinc/92/99/15/932929915.db2.gz YEXCWXCMLPKIJJ-GCVQQVDUSA-N 1 2 273.340 1.251 20 30 CDEDLO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ccc(Cl)cc1C#N ZINC000931652456 933603398 /nfs/dbraw/zinc/60/33/98/933603398.db2.gz GORKQCABGFQCKV-LBPRGKRZSA-N 1 2 277.755 1.826 20 30 CDEDLO COCCN(CCC#N)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000931897331 933634451 /nfs/dbraw/zinc/63/44/51/933634451.db2.gz PLGBDHRKAQWKGR-UHFFFAOYSA-N 1 2 272.308 1.565 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933967403 933883227 /nfs/dbraw/zinc/88/32/27/933883227.db2.gz JRAQSYOLYLAOEQ-GOEBONIOSA-N 1 2 288.347 1.557 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933967403 933883221 /nfs/dbraw/zinc/88/32/21/933883221.db2.gz JRAQSYOLYLAOEQ-GOEBONIOSA-N 1 2 288.347 1.557 20 30 CDEDLO C[C@@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)CCN1CC#N ZINC000947540804 934427624 /nfs/dbraw/zinc/42/76/24/934427624.db2.gz YQVXRIDPYKZJPT-CHWSQXEVSA-N 1 2 297.362 1.441 20 30 CDEDLO C#CCO[C@@H](C)C(=O)N(C)C[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001120093267 937780568 /nfs/dbraw/zinc/78/05/68/937780568.db2.gz JNICBWZRXNHDQN-NEPJUHHUSA-N 1 2 290.367 1.082 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)nc1 ZINC001017358577 934944313 /nfs/dbraw/zinc/94/43/13/934944313.db2.gz FQYHFZSTSHJLIF-IYBDPMFKSA-N 1 2 283.375 1.702 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)nc1 ZINC001017358577 934944318 /nfs/dbraw/zinc/94/43/18/934944318.db2.gz FQYHFZSTSHJLIF-IYBDPMFKSA-N 1 2 283.375 1.702 20 30 CDEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)C2CC2)cc1C#N ZINC001037981009 935323848 /nfs/dbraw/zinc/32/38/48/935323848.db2.gz PAGKRIXIJISJNK-OAHLLOKOSA-N 1 2 299.374 1.667 20 30 CDEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)C2CC2)cc1C#N ZINC001037981009 935323854 /nfs/dbraw/zinc/32/38/54/935323854.db2.gz PAGKRIXIJISJNK-OAHLLOKOSA-N 1 2 299.374 1.667 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001010156870 935446304 /nfs/dbraw/zinc/44/63/04/935446304.db2.gz APCAZYNKLYNMCN-HNNXBMFYSA-N 1 2 294.358 1.891 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001010156870 935446310 /nfs/dbraw/zinc/44/63/10/935446310.db2.gz APCAZYNKLYNMCN-HNNXBMFYSA-N 1 2 294.358 1.891 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2sccc2Cl)C1 ZINC001014522647 935539922 /nfs/dbraw/zinc/53/99/22/935539922.db2.gz LXOFZQNVHABJFA-SECBINFHSA-N 1 2 268.769 1.839 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2Cl)C1 ZINC001014522647 935539923 /nfs/dbraw/zinc/53/99/23/935539923.db2.gz LXOFZQNVHABJFA-SECBINFHSA-N 1 2 268.769 1.839 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2snnc2C2CC2)C1 ZINC001014813014 935551140 /nfs/dbraw/zinc/55/11/40/935551140.db2.gz XLBMHIDNAQAFEZ-NSHDSACASA-N 1 2 290.392 1.243 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2snnc2C2CC2)C1 ZINC001014813014 935551145 /nfs/dbraw/zinc/55/11/45/935551145.db2.gz XLBMHIDNAQAFEZ-NSHDSACASA-N 1 2 290.392 1.243 20 30 CDEDLO C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)c2ncn[nH]2)CC1 ZINC001016885467 935625017 /nfs/dbraw/zinc/62/50/17/935625017.db2.gz VDRASXIKURLHCK-JTQLQIEISA-N 1 2 295.774 1.142 20 30 CDEDLO C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)c2nc[nH]n2)CC1 ZINC001016885467 935625022 /nfs/dbraw/zinc/62/50/22/935625022.db2.gz VDRASXIKURLHCK-JTQLQIEISA-N 1 2 295.774 1.142 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c(C)cc1C ZINC001017667255 935645946 /nfs/dbraw/zinc/64/59/46/935645946.db2.gz VWTQQFZPNFVNED-OKILXGFUSA-N 1 2 271.364 1.554 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c(C)cc1C ZINC001017667255 935645947 /nfs/dbraw/zinc/64/59/47/935645947.db2.gz VWTQQFZPNFVNED-OKILXGFUSA-N 1 2 271.364 1.554 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c(C)cc1C ZINC001017667473 935646011 /nfs/dbraw/zinc/64/60/11/935646011.db2.gz BCFVQZNZWJHVOL-GASCZTMLSA-N 1 2 285.391 1.944 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c(C)cc1C ZINC001017667473 935646012 /nfs/dbraw/zinc/64/60/12/935646012.db2.gz BCFVQZNZWJHVOL-GASCZTMLSA-N 1 2 285.391 1.944 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CCC)n[nH]1 ZINC001017785905 935650016 /nfs/dbraw/zinc/65/00/16/935650016.db2.gz PKZDSAGNQHVAJV-OKILXGFUSA-N 1 2 286.379 1.284 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CCC)n[nH]1 ZINC001017785905 935650017 /nfs/dbraw/zinc/65/00/17/935650017.db2.gz PKZDSAGNQHVAJV-OKILXGFUSA-N 1 2 286.379 1.284 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c([nH]1)CCCC2 ZINC001018146710 935661594 /nfs/dbraw/zinc/66/15/94/935661594.db2.gz HXBVRNOEXFXAQU-GASCZTMLSA-N 1 2 297.402 1.816 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c([nH]1)CCCC2 ZINC001018146710 935661598 /nfs/dbraw/zinc/66/15/98/935661598.db2.gz HXBVRNOEXFXAQU-GASCZTMLSA-N 1 2 297.402 1.816 20 30 CDEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccsc1 ZINC001018176930 935661919 /nfs/dbraw/zinc/66/19/19/935661919.db2.gz UCZDJKDNCIAAJA-BETUJISGSA-N 1 2 290.388 1.435 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccsc1 ZINC001018176930 935661922 /nfs/dbraw/zinc/66/19/22/935661922.db2.gz UCZDJKDNCIAAJA-BETUJISGSA-N 1 2 290.388 1.435 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncnc1CC ZINC001018276820 935664070 /nfs/dbraw/zinc/66/40/70/935664070.db2.gz KQOLROHZCPVJHJ-OKILXGFUSA-N 1 2 298.390 1.351 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncnc1CC ZINC001018276820 935664073 /nfs/dbraw/zinc/66/40/73/935664073.db2.gz KQOLROHZCPVJHJ-OKILXGFUSA-N 1 2 298.390 1.351 20 30 CDEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccnc1C ZINC001018269834 935664113 /nfs/dbraw/zinc/66/41/13/935664113.db2.gz NSJWYAPTZRWECX-GASCZTMLSA-N 1 2 288.395 1.443 20 30 CDEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccnc1C ZINC001018269834 935664114 /nfs/dbraw/zinc/66/41/14/935664114.db2.gz NSJWYAPTZRWECX-GASCZTMLSA-N 1 2 288.395 1.443 20 30 CDEDLO COCC[N@H+](CCC#N)CC[C@H](O)c1ccccc1 ZINC000721326357 935734950 /nfs/dbraw/zinc/73/49/50/935734950.db2.gz OBAJXSGRHGTYLT-HNNXBMFYSA-N 1 2 262.353 1.972 20 30 CDEDLO COCC[N@@H+](CCC#N)CC[C@H](O)c1ccccc1 ZINC000721326357 935734953 /nfs/dbraw/zinc/73/49/53/935734953.db2.gz OBAJXSGRHGTYLT-HNNXBMFYSA-N 1 2 262.353 1.972 20 30 CDEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ncc[nH]2)c1 ZINC001038231180 935738564 /nfs/dbraw/zinc/73/85/64/935738564.db2.gz JZTWOYMBZJOAPI-CQSZACIVSA-N 1 2 295.346 1.286 20 30 CDEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ncc[nH]2)c1 ZINC001038231180 935738566 /nfs/dbraw/zinc/73/85/66/935738566.db2.gz JZTWOYMBZJOAPI-CQSZACIVSA-N 1 2 295.346 1.286 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2c[nH]nc21 ZINC001038260970 935738727 /nfs/dbraw/zinc/73/87/27/935738727.db2.gz IKFVCAZGCZNLRS-UONOGXRCSA-N 1 2 286.379 1.043 20 30 CDEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2c[nH]nc21 ZINC001038260970 935738729 /nfs/dbraw/zinc/73/87/29/935738729.db2.gz IKFVCAZGCZNLRS-UONOGXRCSA-N 1 2 286.379 1.043 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1c(F)cccc1OC ZINC001038283146 935739876 /nfs/dbraw/zinc/73/98/76/935739876.db2.gz XWEHCJANOGPIDD-NSHDSACASA-N 1 2 276.311 1.272 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1c(F)cccc1OC ZINC001038283146 935739878 /nfs/dbraw/zinc/73/98/78/935739878.db2.gz XWEHCJANOGPIDD-NSHDSACASA-N 1 2 276.311 1.272 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnc2ccccc2n1 ZINC001038346597 935742013 /nfs/dbraw/zinc/74/20/13/935742013.db2.gz XRUKTEJATHGWFN-LBPRGKRZSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnc2ccccc2n1 ZINC001038346597 935742016 /nfs/dbraw/zinc/74/20/16/935742016.db2.gz XRUKTEJATHGWFN-LBPRGKRZSA-N 1 2 280.331 1.067 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)n([C@H](C)CC)n1 ZINC001038437204 935744368 /nfs/dbraw/zinc/74/43/68/935744368.db2.gz UMBOMUPNBREWHL-TZMCWYRMSA-N 1 2 288.395 1.600 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)n([C@H](C)CC)n1 ZINC001038437204 935744371 /nfs/dbraw/zinc/74/43/71/935744371.db2.gz UMBOMUPNBREWHL-TZMCWYRMSA-N 1 2 288.395 1.600 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)cc1F ZINC001038472450 935745526 /nfs/dbraw/zinc/74/55/26/935745526.db2.gz YNCBEMSLXMZJEP-GFCCVEGCSA-N 1 2 290.338 1.662 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)cc1F ZINC001038472450 935745530 /nfs/dbraw/zinc/74/55/30/935745530.db2.gz YNCBEMSLXMZJEP-GFCCVEGCSA-N 1 2 290.338 1.662 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)ccnc1OCC ZINC001038549035 935747885 /nfs/dbraw/zinc/74/78/85/935747885.db2.gz FFJBBZKLHIREDL-CYBMUJFWSA-N 1 2 287.363 1.226 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)ccnc1OCC ZINC001038549035 935747887 /nfs/dbraw/zinc/74/78/87/935747887.db2.gz FFJBBZKLHIREDL-CYBMUJFWSA-N 1 2 287.363 1.226 20 30 CDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccoc1C1CC1 ZINC001038652885 935751967 /nfs/dbraw/zinc/75/19/67/935751967.db2.gz RWZOWKQXXPFXMX-CYBMUJFWSA-N 1 2 272.348 1.984 20 30 CDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccoc1C1CC1 ZINC001038652885 935751970 /nfs/dbraw/zinc/75/19/70/935751970.db2.gz RWZOWKQXXPFXMX-CYBMUJFWSA-N 1 2 272.348 1.984 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2c1OCC2 ZINC001038734203 935754361 /nfs/dbraw/zinc/75/43/61/935754361.db2.gz JPSLAMCYMAUYNA-CYBMUJFWSA-N 1 2 270.332 1.059 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2c1OCC2 ZINC001038734203 935754363 /nfs/dbraw/zinc/75/43/63/935754363.db2.gz JPSLAMCYMAUYNA-CYBMUJFWSA-N 1 2 270.332 1.059 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(C(F)(F)F)n1 ZINC001038832958 935758509 /nfs/dbraw/zinc/75/85/09/935758509.db2.gz GBFXOKHBMDCQGR-JTQLQIEISA-N 1 2 297.280 1.538 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C(F)(F)F)n1 ZINC001038832958 935758511 /nfs/dbraw/zinc/75/85/11/935758511.db2.gz GBFXOKHBMDCQGR-JTQLQIEISA-N 1 2 297.280 1.538 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1noc2c1C[C@@H](C)CC2 ZINC001038869095 935759630 /nfs/dbraw/zinc/75/96/30/935759630.db2.gz DUFUYEDTTKWKNJ-NWDGAFQWSA-N 1 2 287.363 1.237 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1noc2c1C[C@@H](C)CC2 ZINC001038869095 935759631 /nfs/dbraw/zinc/75/96/31/935759631.db2.gz DUFUYEDTTKWKNJ-NWDGAFQWSA-N 1 2 287.363 1.237 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn([C@H](C)CC)c1C ZINC001038901495 935762631 /nfs/dbraw/zinc/76/26/31/935762631.db2.gz UZWJWQYWOMBNQI-TZMCWYRMSA-N 1 2 288.395 1.600 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn([C@H](C)CC)c1C ZINC001038901495 935762632 /nfs/dbraw/zinc/76/26/32/935762632.db2.gz UZWJWQYWOMBNQI-TZMCWYRMSA-N 1 2 288.395 1.600 20 30 CDEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC001038996585 935764772 /nfs/dbraw/zinc/76/47/72/935764772.db2.gz PAFNBARWLOPAAN-CYBMUJFWSA-N 1 2 267.332 1.605 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC001038996585 935764774 /nfs/dbraw/zinc/76/47/74/935764774.db2.gz PAFNBARWLOPAAN-CYBMUJFWSA-N 1 2 267.332 1.605 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC001039001745 935765074 /nfs/dbraw/zinc/76/50/74/935765074.db2.gz FFAKUNKSATUKML-INIZCTEOSA-N 1 2 268.360 1.613 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC001039001745 935765079 /nfs/dbraw/zinc/76/50/79/935765079.db2.gz FFAKUNKSATUKML-INIZCTEOSA-N 1 2 268.360 1.613 20 30 CDEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)c1cccc2oc(C)nc21 ZINC001039064740 935767328 /nfs/dbraw/zinc/76/73/28/935767328.db2.gz VDBVIKHHCZQRBP-LBPRGKRZSA-N 1 2 283.331 1.574 20 30 CDEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2oc(C)nc21 ZINC001039064740 935767330 /nfs/dbraw/zinc/76/73/30/935767330.db2.gz VDBVIKHHCZQRBP-LBPRGKRZSA-N 1 2 283.331 1.574 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(C)n2C)C1 ZINC001042473542 935821666 /nfs/dbraw/zinc/82/16/66/935821666.db2.gz CAYJTAXIDGVQJI-UHFFFAOYSA-N 1 2 261.369 1.666 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2nccn2CC)C1 ZINC001042667699 935826656 /nfs/dbraw/zinc/82/66/56/935826656.db2.gz YRCZSPPQXUCBKU-UHFFFAOYSA-N 1 2 262.357 1.235 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccn(C(F)F)n2)C1 ZINC001042793601 935829384 /nfs/dbraw/zinc/82/93/84/935829384.db2.gz OVDNYOFKCKODEZ-UHFFFAOYSA-N 1 2 282.294 1.058 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c[nH]nc2CC)C1 ZINC001043196483 935835202 /nfs/dbraw/zinc/83/52/02/935835202.db2.gz OWGXJUFIZYRUJX-UHFFFAOYSA-N 1 2 262.357 1.304 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2c(C)cc(=O)oc2C)C1 ZINC001043278948 935835843 /nfs/dbraw/zinc/83/58/43/935835843.db2.gz XDUBMFOGSZXWLK-UHFFFAOYSA-N 1 2 276.336 1.199 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc3ccncc3n2)C1 ZINC001043364580 935837322 /nfs/dbraw/zinc/83/73/22/935837322.db2.gz CJRYCVGPRSEGGB-UHFFFAOYSA-N 1 2 294.358 1.409 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)c2c[nH]nc2-c2ccoc2)C1 ZINC001043456467 935838737 /nfs/dbraw/zinc/83/87/37/935838737.db2.gz RJJOBRIYJXYHHL-UHFFFAOYSA-N 1 2 286.335 1.612 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)C(C)(C)C2CCC2)C1 ZINC001043484873 935838976 /nfs/dbraw/zinc/83/89/76/935838976.db2.gz FGVGCDTUZIRCOI-UHFFFAOYSA-N 1 2 262.397 1.979 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H](C)c2ccco2)C1 ZINC001043847134 935845142 /nfs/dbraw/zinc/84/51/42/935845142.db2.gz ILMKUSNQDJOBMN-LBPRGKRZSA-N 1 2 260.337 1.549 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cnc3c(cnn3C)c2)C1 ZINC001044090106 935850651 /nfs/dbraw/zinc/85/06/51/935850651.db2.gz YCLZBCFQICNKGN-UHFFFAOYSA-N 1 2 299.378 1.301 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(OC)o2)C1 ZINC001044087476 935850825 /nfs/dbraw/zinc/85/08/25/935850825.db2.gz VGXDUSVEKNWNGP-UHFFFAOYSA-N 1 2 262.309 1.068 20 30 CDEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H]2Cc3cccnc3C2)C1 ZINC001044230771 935855101 /nfs/dbraw/zinc/85/51/01/935855101.db2.gz GIFQQJDQNRKXDG-ZDUSSCGKSA-N 1 2 271.364 1.125 20 30 CDEDLO C#CCC[NH+]1CC(N(C)C(=O)c2csc(COC)n2)C1 ZINC001044362951 935858017 /nfs/dbraw/zinc/85/80/17/935858017.db2.gz YFJOWWMIPMZVSH-UHFFFAOYSA-N 1 2 293.392 1.069 20 30 CDEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCC[C@@H]2OC)C1 ZINC001044356582 935858034 /nfs/dbraw/zinc/85/80/34/935858034.db2.gz XRFJLLDTWCUQBQ-GJZGRUSLSA-N 1 2 280.412 1.910 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnsn2)C1 ZINC001046157020 935929281 /nfs/dbraw/zinc/92/92/81/935929281.db2.gz UDERHFYXGUZALA-LLVKDONJSA-N 1 2 286.788 1.485 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnsn2)C1 ZINC001046157020 935929282 /nfs/dbraw/zinc/92/92/82/935929282.db2.gz UDERHFYXGUZALA-LLVKDONJSA-N 1 2 286.788 1.485 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCCO2)C1 ZINC001046235753 935936554 /nfs/dbraw/zinc/93/65/54/935936554.db2.gz KHLWPHUHTUNROZ-OCCSQVGLSA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCCO2)C1 ZINC001046235753 935936556 /nfs/dbraw/zinc/93/65/56/935936556.db2.gz KHLWPHUHTUNROZ-OCCSQVGLSA-N 1 2 286.803 1.889 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc[nH]c2)C1 ZINC001046335391 935942046 /nfs/dbraw/zinc/94/20/46/935942046.db2.gz LBWXRCTVMRDVDH-ZDUSSCGKSA-N 1 2 267.760 1.961 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc[nH]c2)C1 ZINC001046335391 935942048 /nfs/dbraw/zinc/94/20/48/935942048.db2.gz LBWXRCTVMRDVDH-ZDUSSCGKSA-N 1 2 267.760 1.961 20 30 CDEDLO CCC(=O)N(C)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047270431 935995884 /nfs/dbraw/zinc/99/58/84/935995884.db2.gz HUAGDCAFEGRZCT-STQMWFEESA-N 1 2 293.392 1.033 20 30 CDEDLO CCC(=O)N(C)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047270431 935995886 /nfs/dbraw/zinc/99/58/86/935995886.db2.gz HUAGDCAFEGRZCT-STQMWFEESA-N 1 2 293.392 1.033 20 30 CDEDLO Cc1cnc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)cn1 ZINC000801554726 935997671 /nfs/dbraw/zinc/99/76/71/935997671.db2.gz PFOOPFOIFZNPLP-UHFFFAOYSA-N 1 2 294.362 1.374 20 30 CDEDLO C#CCOc1ccccc1NC(=O)NCc1ccc(N)[nH+]c1 ZINC000801722271 936006221 /nfs/dbraw/zinc/00/62/21/936006221.db2.gz CAOHUQVHWJYYJQ-UHFFFAOYSA-N 1 2 296.330 1.998 20 30 CDEDLO CCc1nsc(N2CC[NH+](CCO[C@@H](C)C#N)CC2)n1 ZINC000801925587 936016261 /nfs/dbraw/zinc/01/62/61/936016261.db2.gz NURSPCAMWQGRDX-NSHDSACASA-N 1 2 295.412 1.151 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1CCO[C@H](C)C#N ZINC000801943380 936017872 /nfs/dbraw/zinc/01/78/72/936017872.db2.gz SNPSKIUSUVOLKP-UTUOFQBUSA-N 1 2 254.330 1.189 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1CCO[C@H](C)C#N ZINC000801943380 936017876 /nfs/dbraw/zinc/01/78/76/936017876.db2.gz SNPSKIUSUVOLKP-UTUOFQBUSA-N 1 2 254.330 1.189 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccon1 ZINC001049373837 936141011 /nfs/dbraw/zinc/14/10/11/936141011.db2.gz VQXCOCKRAKQNGV-XBFCOCLRSA-N 1 2 288.351 1.400 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ccon1 ZINC001049373837 936141013 /nfs/dbraw/zinc/14/10/13/936141013.db2.gz VQXCOCKRAKQNGV-XBFCOCLRSA-N 1 2 288.351 1.400 20 30 CDEDLO C#CCN(CC)c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1C ZINC001121427948 937871212 /nfs/dbraw/zinc/87/12/12/937871212.db2.gz NNDVUAVAQDQENN-CYBMUJFWSA-N 1 2 291.399 1.056 20 30 CDEDLO C#CCN(CC)c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1C ZINC001121427948 937871213 /nfs/dbraw/zinc/87/12/13/937871213.db2.gz NNDVUAVAQDQENN-CYBMUJFWSA-N 1 2 291.399 1.056 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122436574 937932126 /nfs/dbraw/zinc/93/21/26/937932126.db2.gz GIZAVEMZVDJMLM-DGCLKSJQSA-N 1 2 292.383 1.276 20 30 CDEDLO N#Cc1cnc(CNC(=O)c2ccc3[nH+]c(N)[nH]c3c2)s1 ZINC001156979332 938442457 /nfs/dbraw/zinc/44/24/57/938442457.db2.gz NRMAPLXZTOZPQN-UHFFFAOYSA-N 1 2 298.331 1.403 20 30 CDEDLO Cc1ccc(N[C@@H]2CCC[N@@H+](C3COC3)C2)nc1C#N ZINC001157582341 938515371 /nfs/dbraw/zinc/51/53/71/938515371.db2.gz DHHYRLHOBQXXLK-GFCCVEGCSA-N 1 2 272.352 1.537 20 30 CDEDLO Cc1ccc(N[C@@H]2CCC[N@H+](C3COC3)C2)nc1C#N ZINC001157582341 938515372 /nfs/dbraw/zinc/51/53/72/938515372.db2.gz DHHYRLHOBQXXLK-GFCCVEGCSA-N 1 2 272.352 1.537 20 30 CDEDLO Cc1cncnc1O[C@@H]1CCN(c2cc(CC#N)cc[nH+]2)C1 ZINC001158278546 938604065 /nfs/dbraw/zinc/60/40/65/938604065.db2.gz BJTYGZXABIBDEL-CQSZACIVSA-N 1 2 295.346 1.904 20 30 CDEDLO C=CC(=O)NCCNc1[nH+]ccc2ccc(C#N)cc21 ZINC001158831236 938667833 /nfs/dbraw/zinc/66/78/33/938667833.db2.gz FMOXUVSLQDDEHR-UHFFFAOYSA-N 1 2 266.304 1.821 20 30 CDEDLO N#CCN1CC=C(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001159964596 938762312 /nfs/dbraw/zinc/76/23/12/938762312.db2.gz SRTGBLLYWVXVGB-UHFFFAOYSA-N 1 2 287.367 1.004 20 30 CDEDLO Cc1c[nH+]c(N[C@@H]2C(=O)N(O)C[C@@H]2C)nc1NC(C)C ZINC001160173991 938772753 /nfs/dbraw/zinc/77/27/53/938772753.db2.gz ZSZRIHXZACGGPB-UWVGGRQHSA-N 1 2 279.344 1.253 20 30 CDEDLO C#C[C@](C)([NH3+])C(=O)N(Cc1cnc[nH]1)Cc1ccccc1 ZINC001160973837 938852764 /nfs/dbraw/zinc/85/27/64/938852764.db2.gz XDFLYGJZAWLZIA-INIZCTEOSA-N 1 2 282.347 1.289 20 30 CDEDLO C=C(Cl)C[N@H+]1CC=C(CCNC(=O)c2nnc[nH]2)CC1 ZINC001161497017 938906987 /nfs/dbraw/zinc/90/69/87/938906987.db2.gz OLKHYJCEQVURNN-UHFFFAOYSA-N 1 2 295.774 1.309 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)c2nnc[nH]2)CC1 ZINC001161497017 938906988 /nfs/dbraw/zinc/90/69/88/938906988.db2.gz OLKHYJCEQVURNN-UHFFFAOYSA-N 1 2 295.774 1.309 20 30 CDEDLO Cc1cc(N(C(N)=[NH2+])c2cc(C#N)cc(C)n2)n[nH]1 ZINC001163511588 939279572 /nfs/dbraw/zinc/27/95/72/939279572.db2.gz ISMBANZRLNHMJW-UHFFFAOYSA-N 1 2 255.285 1.325 20 30 CDEDLO CCc1cc(C[NH+]2CC(N(C)C3COC3)C2)ccc1C#N ZINC001238778726 945246268 /nfs/dbraw/zinc/24/62/68/945246268.db2.gz QEFXFMQRIXBCHT-UHFFFAOYSA-N 1 2 285.391 1.635 20 30 CDEDLO COC(=O)[C@@H]1C[C@H](Nc2ccc(CC#N)c(OC)c2)C[NH2+]1 ZINC001164305549 939449691 /nfs/dbraw/zinc/44/96/91/939449691.db2.gz YJTBETJQHRHUFP-STQMWFEESA-N 1 2 289.335 1.077 20 30 CDEDLO C=CC[NH+]1CCN(c2nc(C)ncc2C(=O)OCC)CC1 ZINC001165031396 939505381 /nfs/dbraw/zinc/50/53/81/939505381.db2.gz HCVDIJLJSAZGJZ-UHFFFAOYSA-N 1 2 290.367 1.270 20 30 CDEDLO C=CC[NH+](CC=C)Cc1cn(-c2cnccn2)cn1 ZINC001238818398 945258337 /nfs/dbraw/zinc/25/83/37/945258337.db2.gz ZLSCWADMDUSYGL-UHFFFAOYSA-N 1 2 255.325 1.836 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(O)c(OC)c2)CC1 ZINC001204118627 939734656 /nfs/dbraw/zinc/73/46/56/939734656.db2.gz VBKCXGBQYKAYQO-UHFFFAOYSA-N 1 2 260.337 1.152 20 30 CDEDLO C#CCN1CC[NH+](Cc2ccc(O)c(OC)c2)CC1 ZINC001204118627 939734658 /nfs/dbraw/zinc/73/46/58/939734658.db2.gz VBKCXGBQYKAYQO-UHFFFAOYSA-N 1 2 260.337 1.152 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1C ZINC001208458813 940332381 /nfs/dbraw/zinc/33/23/81/940332381.db2.gz ZKQFWCIYOGHUOR-DGCLKSJQSA-N 1 2 294.424 1.831 20 30 CDEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1C ZINC001208458813 940332384 /nfs/dbraw/zinc/33/23/84/940332384.db2.gz ZKQFWCIYOGHUOR-DGCLKSJQSA-N 1 2 294.424 1.831 20 30 CDEDLO C[C@@H](C[NH+]1CCN(c2nccnc2C#N)CC1)C(F)(F)F ZINC001208904313 940404162 /nfs/dbraw/zinc/40/41/62/940404162.db2.gz DOXIPDIFOZBDTE-JTQLQIEISA-N 1 2 299.300 1.669 20 30 CDEDLO C=CCN(CC[N@@H+]1C[C@@H](F)C[C@H]1CO)C(=O)OCC ZINC001209015811 940423515 /nfs/dbraw/zinc/42/35/15/940423515.db2.gz AGTAZICVISJALN-RYUDHWBXSA-N 1 2 274.336 1.036 20 30 CDEDLO C=CCN(CC[N@H+]1C[C@@H](F)C[C@H]1CO)C(=O)OCC ZINC001209015811 940423517 /nfs/dbraw/zinc/42/35/17/940423517.db2.gz AGTAZICVISJALN-RYUDHWBXSA-N 1 2 274.336 1.036 20 30 CDEDLO C=CCN(CC[N@H+](C)Cc1ccno1)C(=O)OCC ZINC001209020570 940425253 /nfs/dbraw/zinc/42/52/53/940425253.db2.gz KFMXMERRUQKDQX-UHFFFAOYSA-N 1 2 267.329 1.751 20 30 CDEDLO C=CCN(CC[N@@H+](C)Cc1ccno1)C(=O)OCC ZINC001209020570 940425254 /nfs/dbraw/zinc/42/52/54/940425254.db2.gz KFMXMERRUQKDQX-UHFFFAOYSA-N 1 2 267.329 1.751 20 30 CDEDLO C=CCCCC[N@H+]1C[C@](O)(C(F)(F)F)C[C@@H]1C(=O)OC ZINC001209201938 940446674 /nfs/dbraw/zinc/44/66/74/940446674.db2.gz ZSXPUEUFLCLBTN-PWSUYJOCSA-N 1 2 295.301 1.883 20 30 CDEDLO C=CCCCC[N@@H+]1C[C@](O)(C(F)(F)F)C[C@@H]1C(=O)OC ZINC001209201938 940446675 /nfs/dbraw/zinc/44/66/75/940446675.db2.gz ZSXPUEUFLCLBTN-PWSUYJOCSA-N 1 2 295.301 1.883 20 30 CDEDLO COc1cc(Nc2cc(=O)[nH]c3c(C#N)cnn32)cc(C)[nH+]1 ZINC001210774621 940711857 /nfs/dbraw/zinc/71/18/57/940711857.db2.gz PBJIEUYNIRCFMZ-UHFFFAOYSA-N 1 2 296.290 1.762 20 30 CDEDLO Cc1ccc(CN2CC[NH2+]CC(F)(F)C2)cc1C#N ZINC001211341378 940748226 /nfs/dbraw/zinc/74/82/26/940748226.db2.gz JWVMTDWYIDSRSQ-UHFFFAOYSA-N 1 2 265.307 1.907 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCCCC)[C@H]2C1 ZINC001217300856 940989135 /nfs/dbraw/zinc/98/91/35/940989135.db2.gz KJRNRJMAOGWJRA-UONOGXRCSA-N 1 2 264.369 1.112 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCCCC)[C@H]2C1 ZINC001217300856 940989138 /nfs/dbraw/zinc/98/91/38/940989138.db2.gz KJRNRJMAOGWJRA-UONOGXRCSA-N 1 2 264.369 1.112 20 30 CDEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)CSCCC)[C@H]2C1 ZINC001217398857 940991918 /nfs/dbraw/zinc/99/19/18/940991918.db2.gz AIIYMRXNSRLGFH-UONOGXRCSA-N 1 2 296.436 1.065 20 30 CDEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)CSCCC)[C@H]2C1 ZINC001217398857 940991921 /nfs/dbraw/zinc/99/19/21/940991921.db2.gz AIIYMRXNSRLGFH-UONOGXRCSA-N 1 2 296.436 1.065 20 30 CDEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)CCC)[C@H]2C1 ZINC001217493382 940995491 /nfs/dbraw/zinc/99/54/91/940995491.db2.gz KDRYXYNPYGUWBA-SOUVJXGZSA-N 1 2 278.396 1.358 20 30 CDEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)CCC)[C@H]2C1 ZINC001217493382 940995495 /nfs/dbraw/zinc/99/54/95/940995495.db2.gz KDRYXYNPYGUWBA-SOUVJXGZSA-N 1 2 278.396 1.358 20 30 CDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](CCCC)C(C)C)[C@@H](O)C1 ZINC001221110773 941498495 /nfs/dbraw/zinc/49/84/95/941498495.db2.gz OYVDANKLBCWXMR-KFWWJZLASA-N 1 2 280.412 1.243 20 30 CDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CCCC)C(C)C)[C@@H](O)C1 ZINC001221110773 941498496 /nfs/dbraw/zinc/49/84/96/941498496.db2.gz OYVDANKLBCWXMR-KFWWJZLASA-N 1 2 280.412 1.243 20 30 CDEDLO COc1ccc(O)cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001225463933 941863423 /nfs/dbraw/zinc/86/34/23/941863423.db2.gz FSUFWGGKLGDIRY-RBRDRRMGSA-N 1 2 277.320 1.392 20 30 CDEDLO COc1ccc(O)cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001225463933 941863426 /nfs/dbraw/zinc/86/34/26/941863426.db2.gz FSUFWGGKLGDIRY-RBRDRRMGSA-N 1 2 277.320 1.392 20 30 CDEDLO Cc1cc(=O)c(C#N)c(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)[nH]1 ZINC001225468647 941864686 /nfs/dbraw/zinc/86/46/86/941864686.db2.gz CFPVYGJPTNKZJF-MRCXROJRSA-N 1 2 287.319 1.150 20 30 CDEDLO Cc1cc(=O)c(C#N)c(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)[nH]1 ZINC001225468647 941864692 /nfs/dbraw/zinc/86/46/92/941864692.db2.gz CFPVYGJPTNKZJF-MRCXROJRSA-N 1 2 287.319 1.150 20 30 CDEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3c(O)cccc3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001226332569 941987995 /nfs/dbraw/zinc/98/79/95/941987995.db2.gz CHMGHDJIUSGWDF-LEGMNPEXSA-N 1 2 292.291 1.292 20 30 CDEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3c(O)cccc3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001226332569 941987997 /nfs/dbraw/zinc/98/79/97/941987997.db2.gz CHMGHDJIUSGWDF-LEGMNPEXSA-N 1 2 292.291 1.292 20 30 CDEDLO C#CCCCC(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001227076367 942127505 /nfs/dbraw/zinc/12/75/05/942127505.db2.gz KGTSUCYIICREQF-UHFFFAOYSA-N 1 2 288.395 1.304 20 30 CDEDLO COc1ccc(OC[C@H]2C[N@H+](C)CCO2)c(C#N)c1 ZINC001228119851 942270329 /nfs/dbraw/zinc/27/03/29/942270329.db2.gz MULBQIVDFNAHLW-CYBMUJFWSA-N 1 2 262.309 1.276 20 30 CDEDLO COc1ccc(OC[C@H]2C[N@@H+](C)CCO2)c(C#N)c1 ZINC001228119851 942270331 /nfs/dbraw/zinc/27/03/31/942270331.db2.gz MULBQIVDFNAHLW-CYBMUJFWSA-N 1 2 262.309 1.276 20 30 CDEDLO CCC(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001230548802 942637575 /nfs/dbraw/zinc/63/75/75/942637575.db2.gz WHPIMFNPZIUBDE-MRXNPFEDSA-N 1 2 270.376 1.981 20 30 CDEDLO CCC(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001230548802 942637580 /nfs/dbraw/zinc/63/75/80/942637580.db2.gz WHPIMFNPZIUBDE-MRXNPFEDSA-N 1 2 270.376 1.981 20 30 CDEDLO CN(CCCn1cc[nH+]c1)C(=O)CNc1ccc(C#N)cn1 ZINC001362128500 970921345 /nfs/dbraw/zinc/92/13/45/970921345.db2.gz OJCZQPHFBJLPJG-UHFFFAOYSA-N 1 2 298.350 1.110 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CN(C)C(=O)CCC)C1=O ZINC001230618349 942657929 /nfs/dbraw/zinc/65/79/29/942657929.db2.gz FGHYZFPXJCRFLJ-KGLIPLIRSA-N 1 2 293.411 1.106 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CN(C)C(=O)CCC)C1=O ZINC001230618349 942657930 /nfs/dbraw/zinc/65/79/30/942657930.db2.gz FGHYZFPXJCRFLJ-KGLIPLIRSA-N 1 2 293.411 1.106 20 30 CDEDLO N#CC[C@@H](C(=O)N1CC(n2cc[nH+]c2)C1)c1ccccc1 ZINC001362162328 970961116 /nfs/dbraw/zinc/96/11/16/970961116.db2.gz VKTFRFJEOUSZOR-OAHLLOKOSA-N 1 2 280.331 1.964 20 30 CDEDLO Cc1nc(N)ccc1C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001232337934 943226490 /nfs/dbraw/zinc/22/64/90/943226490.db2.gz AZSSNPFBENSSPV-LBPRGKRZSA-N 1 2 275.377 1.746 20 30 CDEDLO Cc1nc(N)ccc1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001232337934 943226497 /nfs/dbraw/zinc/22/64/97/943226497.db2.gz AZSSNPFBENSSPV-LBPRGKRZSA-N 1 2 275.377 1.746 20 30 CDEDLO C[C@@H]1C[NH+](C2CN(Cc3cc(C#N)ccn3)C2)C[C@@H](C)O1 ZINC001232481788 943295299 /nfs/dbraw/zinc/29/52/99/943295299.db2.gz IDCXXOJQAJBMFU-CHWSQXEVSA-N 1 2 286.379 1.247 20 30 CDEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1 ZINC001232679009 943359280 /nfs/dbraw/zinc/35/92/80/943359280.db2.gz YHPIYLXCFIYFHF-OAHLLOKOSA-N 1 2 287.319 1.338 20 30 CDEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1 ZINC001232679009 943359284 /nfs/dbraw/zinc/35/92/84/943359284.db2.gz YHPIYLXCFIYFHF-OAHLLOKOSA-N 1 2 287.319 1.338 20 30 CDEDLO CN1CCC2(CC[NH+](Cc3cc(C#N)ccc3O)CC2)C1=O ZINC001232678331 943360578 /nfs/dbraw/zinc/36/05/78/943360578.db2.gz VFBHPRVYCONGNK-UHFFFAOYSA-N 1 2 299.374 1.708 20 30 CDEDLO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@@H]21 ZINC001232893214 943428191 /nfs/dbraw/zinc/42/81/91/943428191.db2.gz ROSJQTGEULOZFL-FICVDOATSA-N 1 2 288.322 1.938 20 30 CDEDLO CCOC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@@H]21 ZINC001232893214 943428192 /nfs/dbraw/zinc/42/81/92/943428192.db2.gz ROSJQTGEULOZFL-FICVDOATSA-N 1 2 288.322 1.938 20 30 CDEDLO C=C(C)C[N@@H+](CC)Cc1[nH]cnc1C(=O)OCC ZINC001232919720 943433232 /nfs/dbraw/zinc/43/32/32/943433232.db2.gz HXVZJWRYWMICAP-UHFFFAOYSA-N 1 2 251.330 1.984 20 30 CDEDLO C=C(C)C[N@H+](CC)Cc1[nH]cnc1C(=O)OCC ZINC001232919720 943433235 /nfs/dbraw/zinc/43/32/35/943433235.db2.gz HXVZJWRYWMICAP-UHFFFAOYSA-N 1 2 251.330 1.984 20 30 CDEDLO CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3[nH]ccc3C#N)C[C@H]21 ZINC001233045764 943472986 /nfs/dbraw/zinc/47/29/86/943472986.db2.gz VLOFREIXGAAIDY-IMRBUKKESA-N 1 2 272.352 1.089 20 30 CDEDLO CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3[nH]ccc3C#N)C[C@H]21 ZINC001233045764 943472983 /nfs/dbraw/zinc/47/29/83/943472983.db2.gz VLOFREIXGAAIDY-IMRBUKKESA-N 1 2 272.352 1.089 20 30 CDEDLO Cc1nnc([C@H]2CCC[N@H+](Cc3[nH]ccc3C#N)C2)o1 ZINC001233049040 943476409 /nfs/dbraw/zinc/47/64/09/943476409.db2.gz VPYIONDDORXONV-LBPRGKRZSA-N 1 2 271.324 1.957 20 30 CDEDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3[nH]ccc3C#N)C2)o1 ZINC001233049040 943476412 /nfs/dbraw/zinc/47/64/12/943476412.db2.gz VPYIONDDORXONV-LBPRGKRZSA-N 1 2 271.324 1.957 20 30 CDEDLO CCOC(=O)CN(CCC#N)Cc1cccc2[nH+]ccn21 ZINC001233364231 943555231 /nfs/dbraw/zinc/55/52/31/943555231.db2.gz YNNUQXJKDUYXJA-UHFFFAOYSA-N 1 2 286.335 1.613 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cnc(C)o2)C1 ZINC001233369039 943560763 /nfs/dbraw/zinc/56/07/63/943560763.db2.gz VYRNNOLFNLVCGR-LBPRGKRZSA-N 1 2 279.340 1.860 20 30 CDEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cnc(C)o2)C1 ZINC001233369039 943560767 /nfs/dbraw/zinc/56/07/67/943560767.db2.gz VYRNNOLFNLVCGR-LBPRGKRZSA-N 1 2 279.340 1.860 20 30 CDEDLO C[N@H+](Cc1cncnc1)Cc1ccc(C#N)cc1O ZINC001233388444 943575873 /nfs/dbraw/zinc/57/58/73/943575873.db2.gz ZHNDAWLSJGHPKR-UHFFFAOYSA-N 1 2 254.293 1.686 20 30 CDEDLO C[N@@H+](Cc1cncnc1)Cc1ccc(C#N)cc1O ZINC001233388444 943575874 /nfs/dbraw/zinc/57/58/74/943575874.db2.gz ZHNDAWLSJGHPKR-UHFFFAOYSA-N 1 2 254.293 1.686 20 30 CDEDLO C=CCOCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001233489726 943597268 /nfs/dbraw/zinc/59/72/68/943597268.db2.gz MTHFUHUCZISFDR-CYBMUJFWSA-N 1 2 272.364 1.471 20 30 CDEDLO C=CCOCCCC(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001233489726 943597274 /nfs/dbraw/zinc/59/72/74/943597274.db2.gz MTHFUHUCZISFDR-CYBMUJFWSA-N 1 2 272.364 1.471 20 30 CDEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC(C)(C)C1 ZINC001234030189 943720803 /nfs/dbraw/zinc/72/08/03/943720803.db2.gz OCFZNCBANDZCER-HNNXBMFYSA-N 1 2 292.423 1.605 20 30 CDEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1CC(C)(C)C1 ZINC001234030189 943720805 /nfs/dbraw/zinc/72/08/05/943720805.db2.gz OCFZNCBANDZCER-HNNXBMFYSA-N 1 2 292.423 1.605 20 30 CDEDLO Cc1cncc(C[N@H+]2CC[C@@H]2CN(C)C(=O)C#CC2CC2)c1 ZINC001234179974 943767767 /nfs/dbraw/zinc/76/77/67/943767767.db2.gz ZEEDZZJORYOCDJ-QGZVFWFLSA-N 1 2 297.402 1.836 20 30 CDEDLO Cc1cncc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)C#CC2CC2)c1 ZINC001234179974 943767769 /nfs/dbraw/zinc/76/77/69/943767769.db2.gz ZEEDZZJORYOCDJ-QGZVFWFLSA-N 1 2 297.402 1.836 20 30 CDEDLO N#CCCN1CCC[C@@]2(C1)C[N@H+](Cc1ccc[nH]1)CCO2 ZINC001277939558 944134393 /nfs/dbraw/zinc/13/43/93/944134393.db2.gz XEGGYJDPPLDZPE-MRXNPFEDSA-N 1 2 288.395 1.595 20 30 CDEDLO N#CCCN1CCC[C@@]2(C1)C[N@@H+](Cc1ccc[nH]1)CCO2 ZINC001277939558 944134394 /nfs/dbraw/zinc/13/43/94/944134394.db2.gz XEGGYJDPPLDZPE-MRXNPFEDSA-N 1 2 288.395 1.595 20 30 CDEDLO N#CCC[N@@H+]1CCC[C@]2(CN(Cc3ccc[nH]3)CCO2)C1 ZINC001277939558 944134397 /nfs/dbraw/zinc/13/43/97/944134397.db2.gz XEGGYJDPPLDZPE-MRXNPFEDSA-N 1 2 288.395 1.595 20 30 CDEDLO N#CCC[N@H+]1CCC[C@]2(CN(Cc3ccc[nH]3)CCO2)C1 ZINC001277939558 944134399 /nfs/dbraw/zinc/13/43/99/944134399.db2.gz XEGGYJDPPLDZPE-MRXNPFEDSA-N 1 2 288.395 1.595 20 30 CDEDLO N#Cc1cc(C[NH+]2CCN(c3cccnc3)CC2)ccn1 ZINC001237459060 944792036 /nfs/dbraw/zinc/79/20/36/944792036.db2.gz HRHSZCUVJCRTKX-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO C#CC[N@@H+](Cc1cn(C[C@H]2CCCO2)nn1)CC1CC1 ZINC001262007647 946368136 /nfs/dbraw/zinc/36/81/36/946368136.db2.gz MQMRWZJLEWHMLI-OAHLLOKOSA-N 1 2 274.368 1.302 20 30 CDEDLO C#CC[N@H+](Cc1cn(C[C@H]2CCCO2)nn1)CC1CC1 ZINC001262007647 946368142 /nfs/dbraw/zinc/36/81/42/946368142.db2.gz MQMRWZJLEWHMLI-OAHLLOKOSA-N 1 2 274.368 1.302 20 30 CDEDLO N#Cc1ncccc1-c1ccc(C[NH+]2CCOCC2)cn1 ZINC001242308626 946662214 /nfs/dbraw/zinc/66/22/14/946662214.db2.gz GPAYZIDQTWWTKL-UHFFFAOYSA-N 1 2 280.331 1.847 20 30 CDEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@H](NC(=O)N2CCOCC2)C1 ZINC001255177267 947766525 /nfs/dbraw/zinc/76/65/25/947766525.db2.gz PCQOKJPLPJRNSI-KBPBESRZSA-N 1 2 294.399 1.185 20 30 CDEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@H](NC(=O)N2CCOCC2)C1 ZINC001255177267 947766532 /nfs/dbraw/zinc/76/65/32/947766532.db2.gz PCQOKJPLPJRNSI-KBPBESRZSA-N 1 2 294.399 1.185 20 30 CDEDLO CC(C)(C)OC(=O)N1CCC[C@H](N2CC[NH2+]C[C@@H]2C#N)C1 ZINC001255906674 948127551 /nfs/dbraw/zinc/12/75/51/948127551.db2.gz JRXFFGCWKMGDRZ-STQMWFEESA-N 1 2 294.399 1.183 20 30 CDEDLO CC[N@@H+]1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccccc1C#N ZINC001258256570 948742559 /nfs/dbraw/zinc/74/25/59/948742559.db2.gz FEBTXTUGGGEBOR-STQMWFEESA-N 1 2 291.376 1.025 20 30 CDEDLO CC[N@H+]1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccccc1C#N ZINC001258256570 948742567 /nfs/dbraw/zinc/74/25/67/948742567.db2.gz FEBTXTUGGGEBOR-STQMWFEESA-N 1 2 291.376 1.025 20 30 CDEDLO C[N@@H+]1CCO[C@@H](c2nc(-c3cc(C#N)ccc3F)no2)C1 ZINC001248229529 948984977 /nfs/dbraw/zinc/98/49/77/948984977.db2.gz PTNLAVODORGWCB-GFCCVEGCSA-N 1 2 288.282 1.750 20 30 CDEDLO C[N@H+]1CCO[C@@H](c2nc(-c3cc(C#N)ccc3F)no2)C1 ZINC001248229529 948984987 /nfs/dbraw/zinc/98/49/87/948984987.db2.gz PTNLAVODORGWCB-GFCCVEGCSA-N 1 2 288.282 1.750 20 30 CDEDLO CN(C)C(=O)C[N@H+](C)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249429288 949597534 /nfs/dbraw/zinc/59/75/34/949597534.db2.gz UZFHVJBNUDSMRR-UHFFFAOYSA-N 1 2 270.336 1.560 20 30 CDEDLO CN(C)C(=O)C[N@@H+](C)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249429288 949597550 /nfs/dbraw/zinc/59/75/50/949597550.db2.gz UZFHVJBNUDSMRR-UHFFFAOYSA-N 1 2 270.336 1.560 20 30 CDEDLO C[C@]1(C#N)CC[N@H+](C[C@H](O)COc2ccc(F)cc2F)C1 ZINC001250861171 950437350 /nfs/dbraw/zinc/43/73/50/950437350.db2.gz IJLTTWAMUMLAGL-SWLSCSKDSA-N 1 2 296.317 1.940 20 30 CDEDLO C[C@]1(C#N)CC[N@@H+](C[C@H](O)COc2ccc(F)cc2F)C1 ZINC001250861171 950437370 /nfs/dbraw/zinc/43/73/70/950437370.db2.gz IJLTTWAMUMLAGL-SWLSCSKDSA-N 1 2 296.317 1.940 20 30 CDEDLO C=CCOC[C@@H](O)C[NH2+]C1(C(=O)OC)CCC(CC)CC1 ZINC001252489982 951359216 /nfs/dbraw/zinc/35/92/16/951359216.db2.gz BSGVLPPKYFJSGK-BBBYJDLNSA-N 1 2 299.411 1.652 20 30 CDEDLO C=C[C@](C)(O)C[NH2+][C@@H](C(=O)OC)C1CCCCC1 ZINC001252541655 951426794 /nfs/dbraw/zinc/42/67/94/951426794.db2.gz QESJUUSNFQIHPJ-OCCSQVGLSA-N 1 2 255.358 1.635 20 30 CDEDLO C=CCC[C@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001252603311 951498406 /nfs/dbraw/zinc/49/84/06/951498406.db2.gz SICQYJPHHOHHOC-LBPRGKRZSA-N 1 2 298.383 1.393 20 30 CDEDLO C=CCC[C@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001252603311 951498411 /nfs/dbraw/zinc/49/84/11/951498411.db2.gz SICQYJPHHOHHOC-LBPRGKRZSA-N 1 2 298.383 1.393 20 30 CDEDLO C=C[C@H](O)C[NH2+]C1(c2ccccc2Cl)COC1 ZINC001253607036 951992313 /nfs/dbraw/zinc/99/23/13/951992313.db2.gz QQDAZPUIQOPLOE-JTQLQIEISA-N 1 2 253.729 1.702 20 30 CDEDLO C=CC[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(=O)OCC ZINC001324567328 953443351 /nfs/dbraw/zinc/44/33/51/953443351.db2.gz QXOJFCNSQDGBIO-RYUDHWBXSA-N 1 2 291.351 1.070 20 30 CDEDLO Cc1[nH]c(CNC(=O)c2ccc(C#N)cn2)[nH+]c1C ZINC001294519602 954519524 /nfs/dbraw/zinc/51/95/24/954519524.db2.gz MAQQWYYVXWCDRT-UHFFFAOYSA-N 1 2 255.281 1.223 20 30 CDEDLO C=CC[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(=O)OCC ZINC001327095969 954700358 /nfs/dbraw/zinc/70/03/58/954700358.db2.gz FXUKOSWWVSKWTL-CMPLNLGQSA-N 1 2 279.340 1.212 20 30 CDEDLO C=CC[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(=O)OCC ZINC001327095969 954700367 /nfs/dbraw/zinc/70/03/67/954700367.db2.gz FXUKOSWWVSKWTL-CMPLNLGQSA-N 1 2 279.340 1.212 20 30 CDEDLO C[C@@H](C(=O)N1CCc2cc(C#N)ccc21)n1cc[nH+]c1 ZINC001329335002 955830562 /nfs/dbraw/zinc/83/05/62/955830562.db2.gz STLPTXOVUBLXRT-NSHDSACASA-N 1 2 266.304 1.905 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CCn2cccn2)C1 ZINC001422717563 956285545 /nfs/dbraw/zinc/28/55/45/956285545.db2.gz UCCATUCKWWBRLV-LBPRGKRZSA-N 1 2 296.802 1.462 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)COc2cc(C)ccc2F)CC1 ZINC001313445498 956865197 /nfs/dbraw/zinc/86/51/97/956865197.db2.gz WXJFYISDQDWQPX-UHFFFAOYSA-N 1 2 292.354 1.843 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cccc(C(N)=O)c1 ZINC001366546275 956944793 /nfs/dbraw/zinc/94/47/93/956944793.db2.gz ZPJMKIGMEOEPSD-UHFFFAOYSA-N 1 2 295.770 1.200 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cccc(C(N)=O)c1 ZINC001366546275 956944801 /nfs/dbraw/zinc/94/48/01/956944801.db2.gz ZPJMKIGMEOEPSD-UHFFFAOYSA-N 1 2 295.770 1.200 20 30 CDEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnn(CC)c1 ZINC001366604691 957027859 /nfs/dbraw/zinc/02/78/59/957027859.db2.gz ZOSRAWKNAMITHP-UHFFFAOYSA-N 1 2 284.791 1.707 20 30 CDEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnn(CC)c1 ZINC001366604691 957027871 /nfs/dbraw/zinc/02/78/71/957027871.db2.gz ZOSRAWKNAMITHP-UHFFFAOYSA-N 1 2 284.791 1.707 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H](C)C#N)C1CC1 ZINC001317549528 957543704 /nfs/dbraw/zinc/54/37/04/957543704.db2.gz XUWSDVXXURQATD-VIFPVBQESA-N 1 2 255.749 1.479 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H](C)C#N)C1CC1 ZINC001317549528 957543706 /nfs/dbraw/zinc/54/37/06/957543706.db2.gz XUWSDVXXURQATD-VIFPVBQESA-N 1 2 255.749 1.479 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cnn(CC)c1C ZINC001367542274 958121136 /nfs/dbraw/zinc/12/11/36/958121136.db2.gz HYUFIRJSKBSJQH-UHFFFAOYSA-N 1 2 298.818 1.968 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cnn(CC)c1C ZINC001367542274 958121146 /nfs/dbraw/zinc/12/11/46/958121146.db2.gz HYUFIRJSKBSJQH-UHFFFAOYSA-N 1 2 298.818 1.968 20 30 CDEDLO C=CC[C@H]([NH2+]C1CCN(C(=O)N(C)C)CC1)C(=O)OCC ZINC001320766650 959376595 /nfs/dbraw/zinc/37/65/95/959376595.db2.gz JMIHBAIYALKNNK-ZDUSSCGKSA-N 1 2 297.399 1.230 20 30 CDEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2cnn(C)c2)C1 ZINC001369076196 959445362 /nfs/dbraw/zinc/44/53/62/959445362.db2.gz VJEBVCCHKDSVQG-LLVKDONJSA-N 1 2 296.802 1.152 20 30 CDEDLO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)[C@@H](C)c1ncccn1 ZINC001418710691 960933406 /nfs/dbraw/zinc/93/34/06/960933406.db2.gz ISRJDWCCVZTFDW-STQMWFEESA-N 1 2 289.383 1.525 20 30 CDEDLO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)[C@@H](C)c1ncccn1 ZINC001418710691 960933425 /nfs/dbraw/zinc/93/34/25/960933425.db2.gz ISRJDWCCVZTFDW-STQMWFEESA-N 1 2 289.383 1.525 20 30 CDEDLO C=C(C)CN(C)c1nnc(C[N@@H+]2CCC[C@@H](O)C2)n1CC ZINC001339543842 962417557 /nfs/dbraw/zinc/41/75/57/962417557.db2.gz IFMUTVFAODLZOF-CYBMUJFWSA-N 1 2 293.415 1.267 20 30 CDEDLO C=C(C)CN(C)c1nnc(C[N@H+]2CCC[C@@H](O)C2)n1CC ZINC001339543842 962417572 /nfs/dbraw/zinc/41/75/72/962417572.db2.gz IFMUTVFAODLZOF-CYBMUJFWSA-N 1 2 293.415 1.267 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CC(C)(C)O)C1 ZINC001438243000 963379101 /nfs/dbraw/zinc/37/91/01/963379101.db2.gz ZJMHZUJLBUIJCZ-NSHDSACASA-N 1 2 274.792 1.433 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CC(C)(C)O)C1 ZINC001438243000 963379103 /nfs/dbraw/zinc/37/91/03/963379103.db2.gz ZJMHZUJLBUIJCZ-NSHDSACASA-N 1 2 274.792 1.433 20 30 CDEDLO C[C@@H](C#N)C(=O)NC1C[NH+](CCc2ccc(Cl)cc2)C1 ZINC001421024310 963419510 /nfs/dbraw/zinc/41/95/10/963419510.db2.gz JKTUOMBRERQDAG-NSHDSACASA-N 1 2 291.782 1.843 20 30 CDEDLO C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)[C@H](C)CC#N ZINC001342299090 963702529 /nfs/dbraw/zinc/70/25/29/963702529.db2.gz MBGORJLSSFUMSB-CHWSQXEVSA-N 1 2 288.399 1.969 20 30 CDEDLO C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N(C)[C@H](C)CC#N ZINC001342299090 963702536 /nfs/dbraw/zinc/70/25/36/963702536.db2.gz MBGORJLSSFUMSB-CHWSQXEVSA-N 1 2 288.399 1.969 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(=O)n(C)c1 ZINC001440944763 964275075 /nfs/dbraw/zinc/27/50/75/964275075.db2.gz NRGSZFPNDJITIR-LLVKDONJSA-N 1 2 297.786 1.188 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(=O)n(C)c1 ZINC001440944763 964275084 /nfs/dbraw/zinc/27/50/84/964275084.db2.gz NRGSZFPNDJITIR-LLVKDONJSA-N 1 2 297.786 1.188 20 30 CDEDLO C=C(Cl)C[NH2+][C@H](C)CNC(=O)c1ccc2[nH]nnc2c1 ZINC001442053065 964847034 /nfs/dbraw/zinc/84/70/34/964847034.db2.gz ZJMQRTRPEDXVKB-SECBINFHSA-N 1 2 293.758 1.418 20 30 CDEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cccc(=O)[nH]1)C1CC1 ZINC001442993111 965311867 /nfs/dbraw/zinc/31/18/67/965311867.db2.gz DMVBOPFNAJWMJN-UHFFFAOYSA-N 1 2 295.770 1.734 20 30 CDEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cccc(=O)[nH]1)C1CC1 ZINC001442993111 965311878 /nfs/dbraw/zinc/31/18/78/965311878.db2.gz DMVBOPFNAJWMJN-UHFFFAOYSA-N 1 2 295.770 1.734 20 30 CDEDLO C=CCCCCNC(=O)C(=O)NCc1c[nH+]c(C)cc1C ZINC001348780411 966174317 /nfs/dbraw/zinc/17/43/17/966174317.db2.gz HURGAWPSOLNRTH-UHFFFAOYSA-N 1 2 289.379 1.787 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCc1ccon1 ZINC001448078151 966987411 /nfs/dbraw/zinc/98/74/11/966987411.db2.gz YWRISBSBFJPKCN-LLVKDONJSA-N 1 2 285.775 1.796 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCc1ccon1 ZINC001448078151 966987415 /nfs/dbraw/zinc/98/74/15/966987415.db2.gz YWRISBSBFJPKCN-LLVKDONJSA-N 1 2 285.775 1.796 20 30 CDEDLO C=CCCC(=O)NCC1CC([NH2+][C@@H](C)c2noc(C)n2)C1 ZINC001100176897 967568732 /nfs/dbraw/zinc/56/87/32/967568732.db2.gz LVFKWNIPZHUEJQ-PKSQDBQZSA-N 1 2 292.383 1.890 20 30 CDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2ccon2)CC1 ZINC001002389893 968484177 /nfs/dbraw/zinc/48/41/77/968484177.db2.gz CTEDSBXYYKIZIT-UHFFFAOYSA-N 1 2 269.732 1.621 20 30 CDEDLO Cn1c[nH+]c2cc(Nc3cc(C#N)cnn3)ccc21 ZINC001458211851 969270978 /nfs/dbraw/zinc/27/09/78/969270978.db2.gz WUWPRXVKTLYCBB-UHFFFAOYSA-N 1 2 250.265 1.979 20 30 CDEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)CCOC ZINC001355930376 969299091 /nfs/dbraw/zinc/29/90/91/969299091.db2.gz VHOLOJRUUSPCLF-CYBMUJFWSA-N 1 2 293.415 1.704 20 30 CDEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)CCOC ZINC001355930376 969299096 /nfs/dbraw/zinc/29/90/96/969299096.db2.gz VHOLOJRUUSPCLF-CYBMUJFWSA-N 1 2 293.415 1.704 20 30 CDEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cn[nH]c1 ZINC001498235358 973765508 /nfs/dbraw/zinc/76/55/08/973765508.db2.gz CHORWMBIRAZKQN-SECBINFHSA-N 1 2 256.737 1.212 20 30 CDEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cn[nH]c1 ZINC001498235358 973765509 /nfs/dbraw/zinc/76/55/09/973765509.db2.gz CHORWMBIRAZKQN-SECBINFHSA-N 1 2 256.737 1.212 20 30 CDEDLO C[C@H](C#N)C(=O)NCC1(O)C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001380581767 976464727 /nfs/dbraw/zinc/46/47/27/976464727.db2.gz PLPJCKLMRKBJNS-OLZOCXBDSA-N 1 2 287.363 1.070 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CC1(OC)CCC1 ZINC001390758890 976490148 /nfs/dbraw/zinc/49/01/48/976490148.db2.gz MCZZUXXLBMUWFP-UHFFFAOYSA-N 1 2 274.792 1.746 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CC1(OC)CCC1 ZINC001390758890 976490151 /nfs/dbraw/zinc/49/01/51/976490151.db2.gz MCZZUXXLBMUWFP-UHFFFAOYSA-N 1 2 274.792 1.746 20 30 CDEDLO C=C(Cl)CN(C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001399496090 976529916 /nfs/dbraw/zinc/52/99/16/976529916.db2.gz FMSRWPSYSMIVDZ-UHFFFAOYSA-N 1 2 292.770 1.977 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc2c[nH]ccc-2n1 ZINC001399496090 976529922 /nfs/dbraw/zinc/52/99/22/976529922.db2.gz FMSRWPSYSMIVDZ-UHFFFAOYSA-N 1 2 292.770 1.977 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc2c[nH]ccc-2n1 ZINC001399496090 976529931 /nfs/dbraw/zinc/52/99/31/976529931.db2.gz FMSRWPSYSMIVDZ-UHFFFAOYSA-N 1 2 292.770 1.977 20 30 CDEDLO C#CCCCCCC(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001132398483 1163266952 /nfs/dbraw/zinc/26/69/52/1163266952.db2.gz BDUHEPNHYABADZ-UHFFFAOYSA-N 1 2 278.356 1.168 20 30 CDEDLO C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001588838031 984334729 /nfs/dbraw/zinc/33/47/29/984334729.db2.gz AOOLYHDUTQYYRV-WXHSDQCUSA-N 1 2 252.358 1.336 20 30 CDEDLO CC#CCCCC(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001132592940 1163394537 /nfs/dbraw/zinc/39/45/37/1163394537.db2.gz JILNIPXBOVDZET-LLVKDONJSA-N 1 2 280.397 1.499 20 30 CDEDLO Cn1c[nH+]cc1CNC(=S)Nc1ccccc1C#N ZINC000811700423 1163522771 /nfs/dbraw/zinc/52/27/71/1163522771.db2.gz AIUORTGUWBCAGR-UHFFFAOYSA-N 1 2 271.349 1.778 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccn(C)c1 ZINC001570706746 1170242595 /nfs/dbraw/zinc/24/25/95/1170242595.db2.gz SUIZZMOMEBMQQK-LLVKDONJSA-N 1 2 269.776 1.828 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccn(C)c1 ZINC001570706746 1170242604 /nfs/dbraw/zinc/24/26/04/1170242604.db2.gz SUIZZMOMEBMQQK-LLVKDONJSA-N 1 2 269.776 1.828 20 30 CDEDLO Cn1c[nH+]c2c1CCN(C(=O)Cc1c(F)cccc1C#N)C2 ZINC000586765709 342467572 /nfs/dbraw/zinc/46/75/72/342467572.db2.gz XZROENCLRQIDSI-UHFFFAOYSA-N 1 2 298.321 1.558 20 30 CDEDLO Cc1nnc(N2CCN(c3cc(C)[nH+]cc3C#N)CC2)n1C ZINC000601185802 342489292 /nfs/dbraw/zinc/48/92/92/342489292.db2.gz ZSOVAVPBMULYLQ-UHFFFAOYSA-N 1 2 297.366 1.025 20 30 CDEDLO COCCN(CCC#N)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000589341487 342503893 /nfs/dbraw/zinc/50/38/93/342503893.db2.gz LQRIYSDQGVFYGP-UHFFFAOYSA-N 1 2 287.323 1.728 20 30 CDEDLO N#CCCOCC[N@@H+]1CCc2ccccc2[C@@H]1C(N)=O ZINC000590166092 342523940 /nfs/dbraw/zinc/52/39/40/342523940.db2.gz PFZCTILBVXGXML-CQSZACIVSA-N 1 2 273.336 1.001 20 30 CDEDLO N#CCCOCC[N@H+]1CCc2ccccc2[C@@H]1C(N)=O ZINC000590166092 342523941 /nfs/dbraw/zinc/52/39/41/342523941.db2.gz PFZCTILBVXGXML-CQSZACIVSA-N 1 2 273.336 1.001 20 30 CDEDLO N#Cc1c(NC(=O)CCc2c[nH+]c[nH]2)n[nH]c1C1CC1 ZINC000290631935 342536593 /nfs/dbraw/zinc/53/65/93/342536593.db2.gz SQBJMDCHADVJAK-UHFFFAOYSA-N 1 2 270.296 1.453 20 30 CDEDLO N#Cc1c(NC(=O)CCc2c[nH]c[nH+]2)n[nH]c1C1CC1 ZINC000290631935 342536594 /nfs/dbraw/zinc/53/65/94/342536594.db2.gz SQBJMDCHADVJAK-UHFFFAOYSA-N 1 2 270.296 1.453 20 30 CDEDLO N#Cc1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)ncn1 ZINC000617962336 342003821 /nfs/dbraw/zinc/00/38/21/342003821.db2.gz QQYRLMSSYXECEJ-NSHDSACASA-N 1 2 266.308 1.434 20 30 CDEDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)CC(C)(C)CC#N ZINC000601428176 342561793 /nfs/dbraw/zinc/56/17/93/342561793.db2.gz KGQGVIQVORTYCK-NSHDSACASA-N 1 2 298.412 1.823 20 30 CDEDLO CC#CCCCC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616865678 342568451 /nfs/dbraw/zinc/56/84/51/342568451.db2.gz WMZNINOIYZZDGQ-AWEZNQCLSA-N 1 2 291.395 1.790 20 30 CDEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CC(C#N)C1 ZINC000590484683 342563799 /nfs/dbraw/zinc/56/37/99/342563799.db2.gz GNWINLDTOPJLGN-UHFFFAOYSA-N 1 2 254.293 1.327 20 30 CDEDLO COc1ncccc1C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000618752626 349522153 /nfs/dbraw/zinc/52/21/53/349522153.db2.gz LYFHPNIVDAFAJJ-HNNXBMFYSA-N 1 2 288.395 1.756 20 30 CDEDLO NC(Cc1ccccc1Cl)=[NH+]OCC(=O)NC1CC1 ZINC000067711768 342057555 /nfs/dbraw/zinc/05/75/55/342057555.db2.gz KUQRGISTLBXSDX-UHFFFAOYSA-N 1 2 281.743 1.450 20 30 CDEDLO Cc1nnc(NCC[N@H+]2CCOC[C@H]2C)c(C#N)c1C ZINC000609150052 342092503 /nfs/dbraw/zinc/09/25/03/342092503.db2.gz FMMFASZDRHWDSE-SNVBAGLBSA-N 1 2 275.356 1.098 20 30 CDEDLO Cc1nnc(NCC[N@@H+]2CCOC[C@H]2C)c(C#N)c1C ZINC000609150052 342092504 /nfs/dbraw/zinc/09/25/04/342092504.db2.gz FMMFASZDRHWDSE-SNVBAGLBSA-N 1 2 275.356 1.098 20 30 CDEDLO CC(C)[C@H](C#N)N1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000590954517 342610644 /nfs/dbraw/zinc/61/06/44/342610644.db2.gz BFMJMJBMDRYVHU-AWEZNQCLSA-N 1 2 295.818 1.702 20 30 CDEDLO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000083217735 178357838 /nfs/dbraw/zinc/35/78/38/178357838.db2.gz DKQODSUMXHSCDE-AWEZNQCLSA-N 1 2 291.351 1.230 20 30 CDEDLO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000083217735 178357839 /nfs/dbraw/zinc/35/78/39/178357839.db2.gz DKQODSUMXHSCDE-AWEZNQCLSA-N 1 2 291.351 1.230 20 30 CDEDLO Cc1nnc2n1C[C@@H](CNc1cc(C)[nH+]cc1C#N)CC2 ZINC000591820153 342647549 /nfs/dbraw/zinc/64/75/49/342647549.db2.gz GFAKDRLWMPMIFH-GFCCVEGCSA-N 1 2 282.351 1.258 20 30 CDEDLO Cc1cc(N2CCC(Nc3cc(C)[nH+]cc3C#N)CC2)n[nH]1 ZINC000591823993 342647785 /nfs/dbraw/zinc/64/77/85/342647785.db2.gz YVPZAPMKUXOWMU-UHFFFAOYSA-N 1 2 296.378 1.796 20 30 CDEDLO Cc1cccc2[nH+]c(CCNC(=O)NC[C@@H](C)C#N)cn21 ZINC000592007638 342661503 /nfs/dbraw/zinc/66/15/03/342661503.db2.gz MQFFHBKMAPCECJ-NSHDSACASA-N 1 2 285.351 1.644 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cn3ccccc3n2)C1 ZINC000592148640 342668398 /nfs/dbraw/zinc/66/83/98/342668398.db2.gz YILIPXZJXDWWAV-CQSZACIVSA-N 1 2 256.309 1.185 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cn3ccccc3n2)C1 ZINC000592148640 342668399 /nfs/dbraw/zinc/66/83/99/342668399.db2.gz YILIPXZJXDWWAV-CQSZACIVSA-N 1 2 256.309 1.185 20 30 CDEDLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149956 342668520 /nfs/dbraw/zinc/66/85/20/342668520.db2.gz AFAKQFYEBUZXQH-IIAWOOMASA-N 1 2 293.411 1.374 20 30 CDEDLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149956 342668521 /nfs/dbraw/zinc/66/85/21/342668521.db2.gz AFAKQFYEBUZXQH-IIAWOOMASA-N 1 2 293.411 1.374 20 30 CDEDLO N#Cc1cc(C(=O)NCc2c[nH+]c[nH]2)cnc1C(F)(F)F ZINC000340585142 361847730 /nfs/dbraw/zinc/84/77/30/361847730.db2.gz OHLMQKVDDQXVPH-UHFFFAOYSA-N 1 2 295.224 1.625 20 30 CDEDLO N#Cc1cc(C(=O)NCc2c[nH]c[nH+]2)cnc1C(F)(F)F ZINC000340585142 361847734 /nfs/dbraw/zinc/84/77/34/361847734.db2.gz OHLMQKVDDQXVPH-UHFFFAOYSA-N 1 2 295.224 1.625 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000593154492 342774213 /nfs/dbraw/zinc/77/42/13/342774213.db2.gz WTABZGLMOIROOD-HIFRSBDPSA-N 1 2 291.326 1.089 20 30 CDEDLO CC[C@@H](C#N)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000593395531 342794628 /nfs/dbraw/zinc/79/46/28/342794628.db2.gz YMTPFHBHKQAGCC-NSHDSACASA-N 1 2 256.309 1.543 20 30 CDEDLO Cn1cc[nH+]c1[C@@H]1N(c2ccnc(C#N)n2)CC1(C)C ZINC000573697581 361918843 /nfs/dbraw/zinc/91/88/43/361918843.db2.gz VQMZYJZMTPXTRW-LBPRGKRZSA-N 1 2 268.324 1.669 20 30 CDEDLO Cc1noc(C[N@H+](C)CCC(=O)Nc2ccccc2C#N)n1 ZINC000594053370 342872534 /nfs/dbraw/zinc/87/25/34/342872534.db2.gz OWBXIAFQGHEPOK-UHFFFAOYSA-N 1 2 299.334 1.710 20 30 CDEDLO Cc1noc(C[N@@H+](C)CCC(=O)Nc2ccccc2C#N)n1 ZINC000594053370 342872535 /nfs/dbraw/zinc/87/25/35/342872535.db2.gz OWBXIAFQGHEPOK-UHFFFAOYSA-N 1 2 299.334 1.710 20 30 CDEDLO CCCCC[N@H+](CC(N)=O)Cc1ccc(C#N)cn1 ZINC000593971727 342858652 /nfs/dbraw/zinc/85/86/52/342858652.db2.gz DSEQTWJLLJIQLL-UHFFFAOYSA-N 1 2 260.341 1.431 20 30 CDEDLO CCCCC[N@@H+](CC(N)=O)Cc1ccc(C#N)cn1 ZINC000593971727 342858653 /nfs/dbraw/zinc/85/86/53/342858653.db2.gz DSEQTWJLLJIQLL-UHFFFAOYSA-N 1 2 260.341 1.431 20 30 CDEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1[nH]cc[nH+]1 ZINC000594288565 342887769 /nfs/dbraw/zinc/88/77/69/342887769.db2.gz ASNZTGHHQARSPA-NSHDSACASA-N 1 2 268.320 1.776 20 30 CDEDLO C[N@@H+](Cc1ncc[nH]1)C[C@@H](O)COc1ccccc1C#N ZINC000599338137 344012670 /nfs/dbraw/zinc/01/26/70/344012670.db2.gz PGMFRXHHYJRNNE-CYBMUJFWSA-N 1 2 286.335 1.153 20 30 CDEDLO C[N@H+](Cc1ncc[nH]1)C[C@@H](O)COc1ccccc1C#N ZINC000599338137 344012672 /nfs/dbraw/zinc/01/26/72/344012672.db2.gz PGMFRXHHYJRNNE-CYBMUJFWSA-N 1 2 286.335 1.153 20 30 CDEDLO CN(Cc1[nH]cc[nH+]1)C[C@@H](O)COc1ccccc1C#N ZINC000599338137 344012674 /nfs/dbraw/zinc/01/26/74/344012674.db2.gz PGMFRXHHYJRNNE-CYBMUJFWSA-N 1 2 286.335 1.153 20 30 CDEDLO N#Cc1ccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)nc1 ZINC000107549564 349705026 /nfs/dbraw/zinc/70/50/26/349705026.db2.gz QSWJZJHEVDNORB-UHFFFAOYSA-N 1 2 295.346 1.459 20 30 CDEDLO CCn1cc(C[NH2+]Cc2ccc(C#N)c(F)c2)nn1 ZINC000404438248 349773942 /nfs/dbraw/zinc/77/39/42/349773942.db2.gz HWEQJFDMDFDWGB-UHFFFAOYSA-N 1 2 259.288 1.599 20 30 CDEDLO N#CC1(CNC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000564770176 362030023 /nfs/dbraw/zinc/03/00/23/362030023.db2.gz YXORGCXTHAHLDE-UHFFFAOYSA-N 1 2 288.351 1.411 20 30 CDEDLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595616101 343110174 /nfs/dbraw/zinc/11/01/74/343110174.db2.gz PMTFBGZTJNUOIO-GHMZBOCLSA-N 1 2 289.387 1.037 20 30 CDEDLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595616101 343110176 /nfs/dbraw/zinc/11/01/76/343110176.db2.gz PMTFBGZTJNUOIO-GHMZBOCLSA-N 1 2 289.387 1.037 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)NCc2cccs2)C1 ZINC000595619401 343111301 /nfs/dbraw/zinc/11/13/01/343111301.db2.gz ZIWOGTZYMKGZSJ-LBPRGKRZSA-N 1 2 277.393 1.990 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)NCc2cccs2)C1 ZINC000595619401 343111303 /nfs/dbraw/zinc/11/13/03/343111303.db2.gz ZIWOGTZYMKGZSJ-LBPRGKRZSA-N 1 2 277.393 1.990 20 30 CDEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cnccn2)C1 ZINC000595622855 343111421 /nfs/dbraw/zinc/11/14/21/343111421.db2.gz FBXZMNIYFAMTHN-NSHDSACASA-N 1 2 259.313 1.041 20 30 CDEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2cnccn2)C1 ZINC000595622855 343111422 /nfs/dbraw/zinc/11/14/22/343111422.db2.gz FBXZMNIYFAMTHN-NSHDSACASA-N 1 2 259.313 1.041 20 30 CDEDLO Cc1[nH+]c2ccc(C(=O)NCC3(C#N)CC3)cc2n1C ZINC000619546326 349797386 /nfs/dbraw/zinc/79/73/86/349797386.db2.gz BBKHFYQXYHFWAS-UHFFFAOYSA-N 1 2 268.320 1.915 20 30 CDEDLO CC[N@H+](CCC#N)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000081039568 342363304 /nfs/dbraw/zinc/36/33/04/342363304.db2.gz GXWQBYWCERXJHU-UHFFFAOYSA-N 1 2 270.336 1.739 20 30 CDEDLO CC[N@@H+](CCC#N)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000081039568 342363305 /nfs/dbraw/zinc/36/33/05/342363305.db2.gz GXWQBYWCERXJHU-UHFFFAOYSA-N 1 2 270.336 1.739 20 30 CDEDLO N#Cc1nc(-n2c[nH+]c(CCCO)c2)sc1Cl ZINC000596119919 343233013 /nfs/dbraw/zinc/23/30/13/343233013.db2.gz AWHWWBRCZRSVIF-UHFFFAOYSA-N 1 2 268.729 1.779 20 30 CDEDLO N#Cc1ccnc(N2CCc3[nH+]c[nH]c3C2)c1[N+](=O)[O-] ZINC000596236386 343282493 /nfs/dbraw/zinc/28/24/93/343282493.db2.gz ILNMBGYHYQBDOP-UHFFFAOYSA-N 1 2 270.252 1.147 20 30 CDEDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC000092936568 342420612 /nfs/dbraw/zinc/42/06/12/342420612.db2.gz LPKXWFWBCPLFQX-CYBMUJFWSA-N 1 2 294.399 1.137 20 30 CDEDLO CCOCC[N@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000093313239 342425245 /nfs/dbraw/zinc/42/52/45/342425245.db2.gz GVKVUQVUMRFQEE-CYBMUJFWSA-N 1 2 261.325 1.053 20 30 CDEDLO CCOCC[N@@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000093313239 342425246 /nfs/dbraw/zinc/42/52/46/342425246.db2.gz GVKVUQVUMRFQEE-CYBMUJFWSA-N 1 2 261.325 1.053 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2cccc(OC)c2)CC1 ZINC000143801424 342448292 /nfs/dbraw/zinc/44/82/92/342448292.db2.gz IDQUMKWSYMEAGC-UHFFFAOYSA-N 1 2 288.391 1.958 20 30 CDEDLO Cc1ccnc(N2CCN(c3cccc[nH+]3)CC2)c1C#N ZINC000135058404 136391543 /nfs/dbraw/zinc/39/15/43/136391543.db2.gz NHOWINCNFRJONR-UHFFFAOYSA-N 1 2 279.347 1.983 20 30 CDEDLO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCC(F)(F)C2)C1 ZINC000330284033 529788916 /nfs/dbraw/zinc/78/89/16/529788916.db2.gz WXQQVYYWOQTKKH-WDEREUQCSA-N 1 2 291.342 1.256 20 30 CDEDLO C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCC(F)(F)C2)C1 ZINC000330284033 529788917 /nfs/dbraw/zinc/78/89/17/529788917.db2.gz WXQQVYYWOQTKKH-WDEREUQCSA-N 1 2 291.342 1.256 20 30 CDEDLO N#Cc1ccc2c(c1)CCN2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000597774242 343631679 /nfs/dbraw/zinc/63/16/79/343631679.db2.gz WVONFJZNCTWOLW-CQSZACIVSA-N 1 2 292.342 1.906 20 30 CDEDLO C=C[C@H]([NH2+][C@@H]1C[C@@H](OC)C1(CC)CC)C(=O)OC ZINC000619703314 349860054 /nfs/dbraw/zinc/86/00/54/349860054.db2.gz JEDMQAWGBKCKPR-QJPTWQEYSA-N 1 2 255.358 1.897 20 30 CDEDLO C[C@@H](NC(=O)c1cccc(CC#N)c1)c1[nH+]ccn1C ZINC000598460975 343805452 /nfs/dbraw/zinc/80/54/52/343805452.db2.gz YLOLYIDSLMHIFV-LLVKDONJSA-N 1 2 268.320 1.977 20 30 CDEDLO Cc1cc(C#N)cnc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598463760 343805840 /nfs/dbraw/zinc/80/58/40/343805840.db2.gz BHIWJGYNKKNFGT-SNVBAGLBSA-N 1 2 269.308 1.486 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(=O)NCCCC)C1 ZINC000619717028 349867403 /nfs/dbraw/zinc/86/74/03/349867403.db2.gz MSUJGSOYQVCWPO-OLZOCXBDSA-N 1 2 282.384 1.342 20 30 CDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](C(=O)NCCCC)C1 ZINC000619717028 349867406 /nfs/dbraw/zinc/86/74/06/349867406.db2.gz MSUJGSOYQVCWPO-OLZOCXBDSA-N 1 2 282.384 1.342 20 30 CDEDLO CO[C@@H](C)c1noc(C[N@H+](C)C[C@@H](O)CC(C)(C)C#N)n1 ZINC000598591995 343838025 /nfs/dbraw/zinc/83/80/25/343838025.db2.gz DIMZVOVYVZCULJ-QWRGUYRKSA-N 1 2 296.371 1.510 20 30 CDEDLO CO[C@@H](C)c1noc(C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)n1 ZINC000598591995 343838028 /nfs/dbraw/zinc/83/80/28/343838028.db2.gz DIMZVOVYVZCULJ-QWRGUYRKSA-N 1 2 296.371 1.510 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000598620089 343844629 /nfs/dbraw/zinc/84/46/29/343844629.db2.gz YFSRQOKTOITGQO-NWDGAFQWSA-N 1 2 277.372 1.632 20 30 CDEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000598620089 343844632 /nfs/dbraw/zinc/84/46/32/343844632.db2.gz YFSRQOKTOITGQO-NWDGAFQWSA-N 1 2 277.372 1.632 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC000599455729 344057448 /nfs/dbraw/zinc/05/74/48/344057448.db2.gz VEIMXBOKEZRECY-CYBMUJFWSA-N 1 2 266.728 1.896 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC000599455729 344057450 /nfs/dbraw/zinc/05/74/50/344057450.db2.gz VEIMXBOKEZRECY-CYBMUJFWSA-N 1 2 266.728 1.896 20 30 CDEDLO COCCN(CCC#N)C(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000602092271 344343324 /nfs/dbraw/zinc/34/33/24/344343324.db2.gz VVOSCRLWZFHIKF-UHFFFAOYSA-N 1 2 286.335 1.645 20 30 CDEDLO CCC[C@H](OCC)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000602331241 344401605 /nfs/dbraw/zinc/40/16/05/344401605.db2.gz BEYRAUUTXYYWBF-WCQYABFASA-N 1 2 255.362 1.152 20 30 CDEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc2oc(=O)n(C)c2c1 ZINC000602464455 344440892 /nfs/dbraw/zinc/44/08/92/344440892.db2.gz XLGFCYRNQMTSGA-SNVBAGLBSA-N 1 2 259.309 1.865 20 30 CDEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc2oc(=O)n(C)c2c1 ZINC000602464455 344440893 /nfs/dbraw/zinc/44/08/93/344440893.db2.gz XLGFCYRNQMTSGA-SNVBAGLBSA-N 1 2 259.309 1.865 20 30 CDEDLO C[C@@]1(C#N)CCCN(Cc2cc3c(c[nH+]2)OCCO3)C1 ZINC000602608362 344492226 /nfs/dbraw/zinc/49/22/26/344492226.db2.gz MNGJYZQLYZCTNA-HNNXBMFYSA-N 1 2 273.336 1.978 20 30 CDEDLO C=CCOC[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(=O)OC ZINC000602642815 344512653 /nfs/dbraw/zinc/51/26/53/344512653.db2.gz AAQCNZAHSGIUIU-XUXIUFHCSA-N 1 2 295.379 1.278 20 30 CDEDLO Cc1ccc2[nH+]cc(CN3CCN(CCC#N)CC3)n2c1 ZINC000602747898 344562016 /nfs/dbraw/zinc/56/20/16/344562016.db2.gz ILGPBXJPDXEZKM-UHFFFAOYSA-N 1 2 283.379 1.674 20 30 CDEDLO CCN(CC)C(=O)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602760603 344582949 /nfs/dbraw/zinc/58/29/49/344582949.db2.gz YERZYCBSKYTSOK-UHFFFAOYSA-N 1 2 278.400 1.760 20 30 CDEDLO COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@H](C)CC#N ZINC000602860311 344616006 /nfs/dbraw/zinc/61/60/06/344616006.db2.gz AYTHSUPETHUOBP-NEPJUHHUSA-N 1 2 275.352 1.764 20 30 CDEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(F)cc1F ZINC000602864734 344638247 /nfs/dbraw/zinc/63/82/47/344638247.db2.gz VGWDXEANPPXLRU-QMMMGPOBSA-N 1 2 253.252 1.795 20 30 CDEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C)Cc1ccc(F)cc1 ZINC000602865195 344638283 /nfs/dbraw/zinc/63/82/83/344638283.db2.gz UKRHPKUZZMOULR-LLVKDONJSA-N 1 2 263.316 1.676 20 30 CDEDLO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612161570 347064699 /nfs/dbraw/zinc/06/46/99/347064699.db2.gz GHSQBVCUVIWHKG-SMDDNHRTSA-N 1 2 280.372 1.235 20 30 CDEDLO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612161570 347064701 /nfs/dbraw/zinc/06/47/01/347064701.db2.gz GHSQBVCUVIWHKG-SMDDNHRTSA-N 1 2 280.372 1.235 20 30 CDEDLO CC#CC[NH2+]Cc1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000603164185 344725480 /nfs/dbraw/zinc/72/54/80/344725480.db2.gz TXLGSHSAURTIMF-UHFFFAOYSA-N 1 2 285.307 1.348 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164434 347067000 /nfs/dbraw/zinc/06/70/00/347067000.db2.gz BZXSGNMFGFHLSQ-OCCSQVGLSA-N 1 2 262.357 1.373 20 30 CDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164434 347067004 /nfs/dbraw/zinc/06/70/04/347067004.db2.gz BZXSGNMFGFHLSQ-OCCSQVGLSA-N 1 2 262.357 1.373 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000526113754 362573965 /nfs/dbraw/zinc/57/39/65/362573965.db2.gz FYSZGDAWVZMTCV-HIFRSBDPSA-N 1 2 284.400 1.052 20 30 CDEDLO C=C[C@@](C)(CCOC)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000526113754 362573969 /nfs/dbraw/zinc/57/39/69/362573969.db2.gz FYSZGDAWVZMTCV-HIFRSBDPSA-N 1 2 284.400 1.052 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C)c(OC)c2)CC1 ZINC000052041252 345228517 /nfs/dbraw/zinc/22/85/17/345228517.db2.gz LJSQLJDHIVVBDL-UHFFFAOYSA-N 1 2 274.364 1.947 20 30 CDEDLO C[C@@H](C#N)CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000609523764 345592960 /nfs/dbraw/zinc/59/29/60/345592960.db2.gz NAEIHWMHYDGUSW-ZDUSSCGKSA-N 1 2 287.363 1.408 20 30 CDEDLO COc1cc[nH+]c(CN2CCN([C@H](C#N)C(C)C)CC2)c1 ZINC000609539255 345596240 /nfs/dbraw/zinc/59/62/40/345596240.db2.gz WJKIIYTWPPHYOL-MRXNPFEDSA-N 1 2 288.395 1.756 20 30 CDEDLO C=CCOC[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)C(=O)OC ZINC000449300010 362643784 /nfs/dbraw/zinc/64/37/84/362643784.db2.gz NOLROLFWGISULR-CHWSQXEVSA-N 1 2 283.368 1.422 20 30 CDEDLO C=CC[C@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CC)C1 ZINC000617781098 345970897 /nfs/dbraw/zinc/97/08/97/345970897.db2.gz FAYNBDGBDPZYJG-UONOGXRCSA-N 1 2 266.385 1.522 20 30 CDEDLO C=CC[C@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CC)C1 ZINC000617781098 345970898 /nfs/dbraw/zinc/97/08/98/345970898.db2.gz FAYNBDGBDPZYJG-UONOGXRCSA-N 1 2 266.385 1.522 20 30 CDEDLO Nc1ncc2c(n1)C[N@@H+](CC#Cc1ccc(Cl)cc1)CC2 ZINC000623292558 346010846 /nfs/dbraw/zinc/01/08/46/346010846.db2.gz SJZAJESICLOWSD-UHFFFAOYSA-N 1 2 298.777 1.952 20 30 CDEDLO Nc1ncc2c(n1)C[N@H+](CC#Cc1ccc(Cl)cc1)CC2 ZINC000623292558 346010848 /nfs/dbraw/zinc/01/08/48/346010848.db2.gz SJZAJESICLOWSD-UHFFFAOYSA-N 1 2 298.777 1.952 20 30 CDEDLO Cn1nc(C[NH+]2CCN(CC#N)CC2)c2ccccc21 ZINC000089174650 346162310 /nfs/dbraw/zinc/16/23/10/346162310.db2.gz QVXWWZKYLAWZNB-UHFFFAOYSA-N 1 2 269.352 1.214 20 30 CDEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3c[nH]nc3C2)cc1 ZINC000611008978 346574598 /nfs/dbraw/zinc/57/45/98/346574598.db2.gz PGEATIALCROFSX-AWEZNQCLSA-N 1 2 298.346 1.079 20 30 CDEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3c[nH]nc3C2)cc1 ZINC000611008978 346574601 /nfs/dbraw/zinc/57/46/01/346574601.db2.gz PGEATIALCROFSX-AWEZNQCLSA-N 1 2 298.346 1.079 20 30 CDEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3cn[nH]c3C2)cc1 ZINC000611008978 346574603 /nfs/dbraw/zinc/57/46/03/346574603.db2.gz PGEATIALCROFSX-AWEZNQCLSA-N 1 2 298.346 1.079 20 30 CDEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3cn[nH]c3C2)cc1 ZINC000611008978 346574606 /nfs/dbraw/zinc/57/46/06/346574606.db2.gz PGEATIALCROFSX-AWEZNQCLSA-N 1 2 298.346 1.079 20 30 CDEDLO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611174788 346627967 /nfs/dbraw/zinc/62/79/67/346627967.db2.gz MXKBJSSDLYZJQL-KBPBESRZSA-N 1 2 280.416 1.211 20 30 CDEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@@H](C)[C@@H](O)C2)c1C#N ZINC000611349402 346756751 /nfs/dbraw/zinc/75/67/51/346756751.db2.gz JDMZBFVXTHKCMP-PXAZEXFGSA-N 1 2 296.374 1.865 20 30 CDEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1C#N ZINC000611349402 346756753 /nfs/dbraw/zinc/75/67/53/346756753.db2.gz JDMZBFVXTHKCMP-PXAZEXFGSA-N 1 2 296.374 1.865 20 30 CDEDLO Cc1ccc(C#N)nc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000611398783 346774841 /nfs/dbraw/zinc/77/48/41/346774841.db2.gz BMSKWCUAVZXBRO-UHFFFAOYSA-N 1 2 293.374 1.979 20 30 CDEDLO N#CC1CC[NH+]([C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000195312846 347725267 /nfs/dbraw/zinc/72/52/67/347725267.db2.gz DVHASIWPDGFJNG-ZDUSSCGKSA-N 1 2 261.300 1.588 20 30 CDEDLO C=C[C@H](O)C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000614544144 348138757 /nfs/dbraw/zinc/13/87/57/348138757.db2.gz AXGXKKGPKPDUFG-AWEZNQCLSA-N 1 2 285.347 1.614 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(NCCCC)[nH+]c(N)n1 ZINC000450760402 362894543 /nfs/dbraw/zinc/89/45/43/362894543.db2.gz QWJUBWXLXLVDQC-MNOVXSKESA-N 1 2 277.372 1.278 20 30 CDEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(NCCCC)nc(N)[nH+]1 ZINC000450760402 362894546 /nfs/dbraw/zinc/89/45/46/362894546.db2.gz QWJUBWXLXLVDQC-MNOVXSKESA-N 1 2 277.372 1.278 20 30 CDEDLO C[N@H+](CCC#N)C[C@H](O)COc1cc(F)cc([N+](=O)[O-])c1 ZINC000414153462 362924903 /nfs/dbraw/zinc/92/49/03/362924903.db2.gz SAGZONHRDXWOEZ-LBPRGKRZSA-N 1 2 297.286 1.319 20 30 CDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cc(F)cc([N+](=O)[O-])c1 ZINC000414153462 362924909 /nfs/dbraw/zinc/92/49/09/362924909.db2.gz SAGZONHRDXWOEZ-LBPRGKRZSA-N 1 2 297.286 1.319 20 30 CDEDLO CC(=O)c1ccc(C)cc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414134178 362922821 /nfs/dbraw/zinc/92/28/21/362922821.db2.gz HAOLGUNCSQQJPA-CQSZACIVSA-N 1 2 290.363 1.783 20 30 CDEDLO CC(=O)c1ccc(C)cc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414134178 362922828 /nfs/dbraw/zinc/92/28/28/362922828.db2.gz HAOLGUNCSQQJPA-CQSZACIVSA-N 1 2 290.363 1.783 20 30 CDEDLO CC(C)C[C@@H](C#N)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000615745577 348654488 /nfs/dbraw/zinc/65/44/88/348654488.db2.gz MJKDXSVXQZPDGF-RYUDHWBXSA-N 1 2 260.341 1.500 20 30 CDEDLO CN(C)c1ccc(CNC(=O)c2cccc(C#N)c2)c[nH+]1 ZINC000046386449 348790602 /nfs/dbraw/zinc/79/06/02/348790602.db2.gz WEBXJJQLHGUCPW-UHFFFAOYSA-N 1 2 280.331 1.949 20 30 CDEDLO C[C@H](C#N)CN(C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000043477408 348756807 /nfs/dbraw/zinc/75/68/07/348756807.db2.gz UOUTVTDAKGPWEU-LLVKDONJSA-N 1 2 271.324 1.635 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000068468668 349068229 /nfs/dbraw/zinc/06/82/29/349068229.db2.gz OFFYTCLEIYWISI-UHFFFAOYSA-N 1 2 280.730 1.870 20 30 CDEDLO CCc1c[nH]c(CC(=O)NCc2cccc(C#N)c2)[nH+]1 ZINC000602050965 350051841 /nfs/dbraw/zinc/05/18/41/350051841.db2.gz BJNCNSPNXIGFOI-UHFFFAOYSA-N 1 2 268.320 1.703 20 30 CDEDLO N#Cc1cccc(C[NH+]2CCN(c3ccccn3)CC2)n1 ZINC000602430060 350108519 /nfs/dbraw/zinc/10/85/19/350108519.db2.gz VGFCRXMNCDORDJ-UHFFFAOYSA-N 1 2 279.347 1.670 20 30 CDEDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602454407 350111175 /nfs/dbraw/zinc/11/11/75/350111175.db2.gz MZKRZLBXZTYWCX-AWEZNQCLSA-N 1 2 272.352 1.444 20 30 CDEDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602454407 350111179 /nfs/dbraw/zinc/11/11/79/350111179.db2.gz MZKRZLBXZTYWCX-AWEZNQCLSA-N 1 2 272.352 1.444 20 30 CDEDLO CN(CCO)c1ccc(NCc2ccc(C#N)o2)[nH+]c1 ZINC000305760900 350089334 /nfs/dbraw/zinc/08/93/34/350089334.db2.gz YIJRRCZDBHEPAN-UHFFFAOYSA-N 1 2 272.308 1.587 20 30 CDEDLO N#Cc1cccc(C[N@H+](CCCO)Cc2ccccn2)n1 ZINC000602662997 350139702 /nfs/dbraw/zinc/13/97/02/350139702.db2.gz QNUNQGFYENLHDD-UHFFFAOYSA-N 1 2 282.347 1.733 20 30 CDEDLO N#Cc1cccc(C[N@@H+](CCCO)Cc2ccccn2)n1 ZINC000602662997 350139704 /nfs/dbraw/zinc/13/97/04/350139704.db2.gz QNUNQGFYENLHDD-UHFFFAOYSA-N 1 2 282.347 1.733 20 30 CDEDLO C[N@H+](CCc1cnccn1)CC(=O)Nc1cccc(C#N)c1 ZINC000271288621 191052895 /nfs/dbraw/zinc/05/28/95/191052895.db2.gz BRWWFNMHIVDKNW-UHFFFAOYSA-N 1 2 295.346 1.461 20 30 CDEDLO C[N@@H+](CCc1cnccn1)CC(=O)Nc1cccc(C#N)c1 ZINC000271288621 191052897 /nfs/dbraw/zinc/05/28/97/191052897.db2.gz BRWWFNMHIVDKNW-UHFFFAOYSA-N 1 2 295.346 1.461 20 30 CDEDLO Cc1cc(NC(=O)N(C)Cc2[nH+]ccn2C)ncc1C#N ZINC000603120848 350209567 /nfs/dbraw/zinc/20/95/67/350209567.db2.gz OQWLZQZHJCDVDX-UHFFFAOYSA-N 1 2 284.323 1.081 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cncc(OCC)c2)C1=O ZINC000621725567 350751128 /nfs/dbraw/zinc/75/11/28/350751128.db2.gz TZLBTNSQMUXKAC-OAHLLOKOSA-N 1 2 289.379 1.699 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cncc(OCC)c2)C1=O ZINC000621725567 350751130 /nfs/dbraw/zinc/75/11/30/350751130.db2.gz TZLBTNSQMUXKAC-OAHLLOKOSA-N 1 2 289.379 1.699 20 30 CDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)N1CCc2ccccc21 ZINC000068616763 351112613 /nfs/dbraw/zinc/11/26/13/351112613.db2.gz SVEDGTWGOKMKQP-NWDGAFQWSA-N 1 2 257.337 1.856 20 30 CDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000291602457 198046734 /nfs/dbraw/zinc/04/67/34/198046734.db2.gz QRWRBAKWSIMSNF-GXTWGEPZSA-N 1 2 290.367 1.390 20 30 CDEDLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000292093562 198159967 /nfs/dbraw/zinc/15/99/67/198159967.db2.gz FTENKTTXQPXPNJ-MFKMUULPSA-N 1 2 299.334 1.859 20 30 CDEDLO Cc1nnc([C@@H](C)[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000292093562 198159968 /nfs/dbraw/zinc/15/99/68/198159968.db2.gz FTENKTTXQPXPNJ-MFKMUULPSA-N 1 2 299.334 1.859 20 30 CDEDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000156715508 188278204 /nfs/dbraw/zinc/27/82/04/188278204.db2.gz CXCNHXOQXJVROB-DOMZBBRYSA-N 1 2 290.363 1.864 20 30 CDEDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000156715508 188278206 /nfs/dbraw/zinc/27/82/06/188278206.db2.gz CXCNHXOQXJVROB-DOMZBBRYSA-N 1 2 290.363 1.864 20 30 CDEDLO C=CCCC[N@H+]1CC[S@@](=O)C[C@@H]1c1cnn(CC)c1 ZINC000488222196 366096635 /nfs/dbraw/zinc/09/66/35/366096635.db2.gz XOQNAXNIVIWCQR-AUUYWEPGSA-N 1 2 281.425 1.975 20 30 CDEDLO C=CCCC[N@@H+]1CC[S@@](=O)C[C@@H]1c1cnn(CC)c1 ZINC000488222196 366096639 /nfs/dbraw/zinc/09/66/39/366096639.db2.gz XOQNAXNIVIWCQR-AUUYWEPGSA-N 1 2 281.425 1.975 20 30 CDEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1C ZINC000355446022 366100789 /nfs/dbraw/zinc/10/07/89/366100789.db2.gz UTDUMTBSMFXXFA-SOUVJXGZSA-N 1 2 280.412 1.910 20 30 CDEDLO C[N@@H+]1CCc2nc(NC(=O)c3cc(C#N)c[nH]3)sc2C1 ZINC000175115325 283176318 /nfs/dbraw/zinc/17/63/18/283176318.db2.gz DJIUVYNJHGJUON-UHFFFAOYSA-N 1 2 287.348 1.583 20 30 CDEDLO C[N@H+]1CCc2nc(NC(=O)c3cc(C#N)c[nH]3)sc2C1 ZINC000175115325 283176319 /nfs/dbraw/zinc/17/63/19/283176319.db2.gz DJIUVYNJHGJUON-UHFFFAOYSA-N 1 2 287.348 1.583 20 30 CDEDLO O=C(NC[C@@H]1CCC[C@@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328939147 538443520 /nfs/dbraw/zinc/44/35/20/538443520.db2.gz KIVCDELWFRRORO-GVXVVHGQSA-N 1 2 263.341 1.563 20 30 CDEDLO C=C(Cl)C[N@@H+](CCC)[C@@H](CC(=O)NCCC)C(N)=O ZINC000299183578 356981105 /nfs/dbraw/zinc/98/11/05/356981105.db2.gz ZSUUMUAABMDHCJ-NSHDSACASA-N 1 2 289.807 1.221 20 30 CDEDLO C=C(Cl)C[N@H+](CCC)[C@@H](CC(=O)NCCC)C(N)=O ZINC000299183578 356981107 /nfs/dbraw/zinc/98/11/07/356981107.db2.gz ZSUUMUAABMDHCJ-NSHDSACASA-N 1 2 289.807 1.221 20 30 CDEDLO C=CCCO[C@@H](C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000299258316 357002601 /nfs/dbraw/zinc/00/26/01/357002601.db2.gz GKGPPIWICXEPCP-RYUDHWBXSA-N 1 2 251.330 1.369 20 30 CDEDLO CC(C)(O)C[NH+]1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000175881501 357515623 /nfs/dbraw/zinc/51/56/23/357515623.db2.gz RHIUCZMVNNPWSS-UHFFFAOYSA-N 1 2 293.392 1.148 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(C#N)s1 ZINC000334413543 357578854 /nfs/dbraw/zinc/57/88/54/357578854.db2.gz MBLVZLZQSLORKN-UHFFFAOYSA-N 1 2 260.322 1.625 20 30 CDEDLO CCS(=O)(=O)CC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000187700713 357797994 /nfs/dbraw/zinc/79/79/94/357797994.db2.gz UEBRENCYJAVOFO-GFCCVEGCSA-N 1 2 280.393 1.986 20 30 CDEDLO CCS(=O)(=O)CC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000187700713 357797997 /nfs/dbraw/zinc/79/79/97/357797997.db2.gz UEBRENCYJAVOFO-GFCCVEGCSA-N 1 2 280.393 1.986 20 30 CDEDLO COc1cccc(C[NH+]2CCN(CC#N)CC2)c1F ZINC000165906447 358263614 /nfs/dbraw/zinc/26/36/14/358263614.db2.gz CMCHYRDWIOVZNV-UHFFFAOYSA-N 1 2 263.316 1.475 20 30 CDEDLO CCN1CCN(C(=O)NCCCC#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000354474193 358531713 /nfs/dbraw/zinc/53/17/13/358531713.db2.gz XJKSUABUNKBNHC-LBPRGKRZSA-N 1 2 290.371 1.102 20 30 CDEDLO N#CC[C@@]1(O)CC[N@@H+]([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000592148752 358587576 /nfs/dbraw/zinc/58/75/76/358587576.db2.gz BHSDLAFERLEXRL-DOTOQJQBSA-N 1 2 299.374 1.357 20 30 CDEDLO N#CC[C@@]1(O)CC[N@H+]([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000592148752 358587577 /nfs/dbraw/zinc/58/75/77/358587577.db2.gz BHSDLAFERLEXRL-DOTOQJQBSA-N 1 2 299.374 1.357 20 30 CDEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCCCC2)nc1 ZINC000290356620 366462355 /nfs/dbraw/zinc/46/23/55/366462355.db2.gz QLVIPJOTEUEBRP-UHFFFAOYSA-N 1 2 279.365 1.213 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCN(CC)C(=O)[C@H]1CC ZINC000495215609 366520475 /nfs/dbraw/zinc/52/04/75/366520475.db2.gz RBDAHGGJJGWHQM-CQSZACIVSA-N 1 2 293.411 1.130 20 30 CDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCN(CC)C(=O)[C@H]1CC ZINC000495215609 366520480 /nfs/dbraw/zinc/52/04/80/366520480.db2.gz RBDAHGGJJGWHQM-CQSZACIVSA-N 1 2 293.411 1.130 20 30 CDEDLO Cc1c(C#N)cccc1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000338147196 359090449 /nfs/dbraw/zinc/09/04/49/359090449.db2.gz LQBQPPYDPVBPDK-LBPRGKRZSA-N 1 2 287.363 1.317 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000274233505 359494899 /nfs/dbraw/zinc/49/48/99/359494899.db2.gz ABNKOIZLWUNWDV-CQSZACIVSA-N 1 2 295.427 1.259 20 30 CDEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000274233505 359494901 /nfs/dbraw/zinc/49/49/01/359494901.db2.gz ABNKOIZLWUNWDV-CQSZACIVSA-N 1 2 295.427 1.259 20 30 CDEDLO C#CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000274011113 359485900 /nfs/dbraw/zinc/48/59/00/359485900.db2.gz AREFBOBDFZITRV-UHFFFAOYSA-N 1 2 287.319 1.939 20 30 CDEDLO C#CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000274011113 359485904 /nfs/dbraw/zinc/48/59/04/359485904.db2.gz AREFBOBDFZITRV-UHFFFAOYSA-N 1 2 287.319 1.939 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(C)c1ccccc1C(=O)OC ZINC000276956978 359554454 /nfs/dbraw/zinc/55/44/54/359554454.db2.gz LPIWOLBHMXPGRQ-UHFFFAOYSA-N 1 2 274.320 1.001 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N(C)c1ccccc1C(=O)OC ZINC000276956978 359554458 /nfs/dbraw/zinc/55/44/58/359554458.db2.gz LPIWOLBHMXPGRQ-UHFFFAOYSA-N 1 2 274.320 1.001 20 30 CDEDLO CC#CC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000277494001 359562305 /nfs/dbraw/zinc/56/23/05/359562305.db2.gz RLIFPGXCPXSVSR-UHFFFAOYSA-N 1 2 255.321 1.874 20 30 CDEDLO CC#CCN(C)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000297415051 200181640 /nfs/dbraw/zinc/18/16/40/200181640.db2.gz PPEPODFEXODDHD-UHFFFAOYSA-N 1 2 270.336 1.807 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+](C)CC(=O)N(C)C ZINC000130401362 360031524 /nfs/dbraw/zinc/03/15/24/360031524.db2.gz HPNFZJINTVEJLT-UHFFFAOYSA-N 1 2 261.325 1.087 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+](C)CC(=O)N(C)C ZINC000130401362 360031532 /nfs/dbraw/zinc/03/15/32/360031532.db2.gz HPNFZJINTVEJLT-UHFFFAOYSA-N 1 2 261.325 1.087 20 30 CDEDLO CN(Cc1[nH+]ccn1C)C(=O)C1(C#N)CCCCC1 ZINC000057384457 360145951 /nfs/dbraw/zinc/14/59/51/360145951.db2.gz HHZZEXVEZIOMCH-UHFFFAOYSA-N 1 2 260.341 1.853 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCN(C)C3(CCCCC3)C2)C1=O ZINC000514795826 360380899 /nfs/dbraw/zinc/38/08/99/360380899.db2.gz FEPHNSRCGXKUAR-HNNXBMFYSA-N 1 2 291.439 1.724 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCN(C)C3(CCCCC3)C2)C1=O ZINC000514795826 360380901 /nfs/dbraw/zinc/38/09/01/360380901.db2.gz FEPHNSRCGXKUAR-HNNXBMFYSA-N 1 2 291.439 1.724 20 30 CDEDLO COc1ccc(C#N)cc1C[N@H+](C)CC(=O)NC(C)C ZINC000130441071 360474296 /nfs/dbraw/zinc/47/42/96/360474296.db2.gz ZEWKRXULEQJXKB-UHFFFAOYSA-N 1 2 275.352 1.523 20 30 CDEDLO COc1ccc(C#N)cc1C[N@@H+](C)CC(=O)NC(C)C ZINC000130441071 360474299 /nfs/dbraw/zinc/47/42/99/360474299.db2.gz ZEWKRXULEQJXKB-UHFFFAOYSA-N 1 2 275.352 1.523 20 30 CDEDLO CC[N@@H+]1CCOC[C@H]1C(=O)NCC#Cc1cccc(F)c1 ZINC000338231101 360768532 /nfs/dbraw/zinc/76/85/32/360768532.db2.gz APHOKMJBGRWRLG-HNNXBMFYSA-N 1 2 290.338 1.014 20 30 CDEDLO CC[N@H+]1CCOC[C@H]1C(=O)NCC#Cc1cccc(F)c1 ZINC000338231101 360768534 /nfs/dbraw/zinc/76/85/34/360768534.db2.gz APHOKMJBGRWRLG-HNNXBMFYSA-N 1 2 290.338 1.014 20 30 CDEDLO C=CCC(C)(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000429851337 360880525 /nfs/dbraw/zinc/88/05/25/360880525.db2.gz PYFNJNLPYJDXRO-LBPRGKRZSA-N 1 2 254.374 1.426 20 30 CDEDLO CC[N@@H+](Cc1cc(=O)n2c(C)cccc2n1)C[C@H](C)C#N ZINC000157624813 360929841 /nfs/dbraw/zinc/92/98/41/360929841.db2.gz CJIPYBCDKMHJMB-GFCCVEGCSA-N 1 2 284.363 1.985 20 30 CDEDLO CC[N@H+](Cc1cc(=O)n2c(C)cccc2n1)C[C@H](C)C#N ZINC000157624813 360929847 /nfs/dbraw/zinc/92/98/47/360929847.db2.gz CJIPYBCDKMHJMB-GFCCVEGCSA-N 1 2 284.363 1.985 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)C(C)C)C1 ZINC001660844900 1172289256 /nfs/dbraw/zinc/28/92/56/1172289256.db2.gz PDDISSXECOINQT-UONOGXRCSA-N 1 2 295.427 1.161 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C(C)C)C1 ZINC001660844900 1172289260 /nfs/dbraw/zinc/28/92/60/1172289260.db2.gz PDDISSXECOINQT-UONOGXRCSA-N 1 2 295.427 1.161 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338628301 360949629 /nfs/dbraw/zinc/94/96/29/360949629.db2.gz ZJIULPQXNDWKQQ-TZMCWYRMSA-N 1 2 272.364 1.206 20 30 CDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@](F)(CO)C1 ZINC000338628301 360949630 /nfs/dbraw/zinc/94/96/30/360949630.db2.gz ZJIULPQXNDWKQQ-TZMCWYRMSA-N 1 2 272.364 1.206 20 30 CDEDLO CC[C@@H]1C[N@H+](CC(=O)N(CC)C[C@H](C)C#N)C[C@H](C)O1 ZINC000247672097 361163278 /nfs/dbraw/zinc/16/32/78/361163278.db2.gz QARKZPFDXNOAII-HZSPNIEDSA-N 1 2 281.400 1.494 20 30 CDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)C[C@H](C)O1 ZINC000247672097 361163281 /nfs/dbraw/zinc/16/32/81/361163281.db2.gz QARKZPFDXNOAII-HZSPNIEDSA-N 1 2 281.400 1.494 20 30 CDEDLO COc1cc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)ccc1C ZINC000562322952 361280169 /nfs/dbraw/zinc/28/01/69/361280169.db2.gz DFGZOFIBPQPOKH-MRXNPFEDSA-N 1 2 289.379 1.506 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000565431167 361320465 /nfs/dbraw/zinc/32/04/65/361320465.db2.gz HIUVAKQBQCDNHO-WDEREUQCSA-N 1 2 251.330 1.032 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000565431167 361320467 /nfs/dbraw/zinc/32/04/67/361320467.db2.gz HIUVAKQBQCDNHO-WDEREUQCSA-N 1 2 251.330 1.032 20 30 CDEDLO N#CC1(NC(=O)C[N@@H+]2CCOC3(CCCC3)C2)CCC1 ZINC000527377160 361344566 /nfs/dbraw/zinc/34/45/66/361344566.db2.gz ZFWYNROQLSEYIB-UHFFFAOYSA-N 1 2 277.368 1.194 20 30 CDEDLO N#CC1(NC(=O)C[N@H+]2CCOC3(CCCC3)C2)CCC1 ZINC000527377160 361344569 /nfs/dbraw/zinc/34/45/69/361344569.db2.gz ZFWYNROQLSEYIB-UHFFFAOYSA-N 1 2 277.368 1.194 20 30 CDEDLO C=C(C)[C@H](CC(=O)N[C@@H]1CCn2cc[nH+]c2C1)OCC ZINC000428003311 361369609 /nfs/dbraw/zinc/36/96/09/361369609.db2.gz CEECIMQEOCFLGH-OLZOCXBDSA-N 1 2 277.368 1.685 20 30 CDEDLO C[C@H](C(=O)NCc1nnc(C2CC2)o1)[NH+]1CCSCC1 ZINC000329382655 361495360 /nfs/dbraw/zinc/49/53/60/361495360.db2.gz OMJVSHWBCLAQHH-SECBINFHSA-N 1 2 296.396 1.841 20 30 CDEDLO Cc1cccc(CCC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000570635671 363839205 /nfs/dbraw/zinc/83/92/05/363839205.db2.gz RIVRVCDHGFJLAT-INIZCTEOSA-N 1 2 273.380 1.888 20 30 CDEDLO Cc1cccn2c(CN3CC(O)(CC#N)C3)c[nH+]c12 ZINC000190035309 363972814 /nfs/dbraw/zinc/97/28/14/363972814.db2.gz SKGMYFCYYBEUMC-UHFFFAOYSA-N 1 2 256.309 1.103 20 30 CDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(C2CC2)cn1 ZINC000566564620 370765255 /nfs/dbraw/zinc/76/52/55/370765255.db2.gz RUFXANNDPXZHLL-OAHLLOKOSA-N 1 2 272.352 1.533 20 30 CDEDLO C[N@H+](CC(=O)N1CCCC1)Cc1cc(C#N)ccc1F ZINC000042316499 364557495 /nfs/dbraw/zinc/55/74/95/364557495.db2.gz YHMAPDKMQGKESB-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO C[N@@H+](CC(=O)N1CCCC1)Cc1cc(C#N)ccc1F ZINC000042316499 364557496 /nfs/dbraw/zinc/55/74/96/364557496.db2.gz YHMAPDKMQGKESB-UHFFFAOYSA-N 1 2 275.327 1.752 20 30 CDEDLO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1nnc[nH]1 ZINC000174817319 364573336 /nfs/dbraw/zinc/57/33/36/364573336.db2.gz LZEFWLJGMBJDCM-UHFFFAOYSA-N 1 2 284.323 1.137 20 30 CDEDLO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1nnc[nH]1 ZINC000174817319 364573340 /nfs/dbraw/zinc/57/33/40/364573340.db2.gz LZEFWLJGMBJDCM-UHFFFAOYSA-N 1 2 284.323 1.137 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)C1CC1 ZINC000328646425 291331904 /nfs/dbraw/zinc/33/19/04/291331904.db2.gz BBMJLHNUTKXTQS-LALPHHSUSA-N 1 2 290.367 1.686 20 30 CDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)C1CC1 ZINC000328646425 291331905 /nfs/dbraw/zinc/33/19/05/291331905.db2.gz BBMJLHNUTKXTQS-LALPHHSUSA-N 1 2 290.367 1.686 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2CCC3(CCCC3)O2)nn1 ZINC000641151956 365119542 /nfs/dbraw/zinc/11/95/42/365119542.db2.gz RIEXITRFEYVZPP-HNNXBMFYSA-N 1 2 288.395 1.883 20 30 CDEDLO C=CCC1(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CCC1 ZINC000362224283 365145890 /nfs/dbraw/zinc/14/58/90/365145890.db2.gz PIBFRQSMYQKGMC-CQSZACIVSA-N 1 2 280.412 1.912 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)[C@@H](C)c2ccccc2)nn1 ZINC000641219498 365229913 /nfs/dbraw/zinc/22/99/13/365229913.db2.gz IAXSMVRYSQYKPA-WMLDXEAASA-N 1 2 298.390 1.556 20 30 CDEDLO C=C1CC[NH+](Cc2ccc(S(N)(=O)=O)o2)CC1 ZINC000638031766 367695583 /nfs/dbraw/zinc/69/55/83/367695583.db2.gz KFKPDTPNYWVHMB-UHFFFAOYSA-N 1 2 256.327 1.079 20 30 CDEDLO C=CCNC(=O)c1ccc(NCc2[nH+]ccn2C)nc1 ZINC000359484681 367951999 /nfs/dbraw/zinc/95/19/99/367951999.db2.gz CWRYBNRIUIYKMU-UHFFFAOYSA-N 1 2 271.324 1.343 20 30 CDEDLO Cc1ncc(C[N@@H+](C)[C@@H](C)C(=O)NC2(C#N)CCC2)s1 ZINC000530337749 368172164 /nfs/dbraw/zinc/17/21/64/368172164.db2.gz WTCUGOFGPUXFLG-JTQLQIEISA-N 1 2 292.408 1.834 20 30 CDEDLO Cc1ncc(C[N@H+](C)[C@@H](C)C(=O)NC2(C#N)CCC2)s1 ZINC000530337749 368172172 /nfs/dbraw/zinc/17/21/72/368172172.db2.gz WTCUGOFGPUXFLG-JTQLQIEISA-N 1 2 292.408 1.834 20 30 CDEDLO COCc1noc([C@@H](C)[NH+]2CCC(CC#N)CC2)n1 ZINC000542257983 368748258 /nfs/dbraw/zinc/74/82/58/368748258.db2.gz ZIJYYQSHKSAOLZ-SNVBAGLBSA-N 1 2 264.329 1.903 20 30 CDEDLO CCC[N@H+](CCC(=O)N(C)CCC#N)CC(F)F ZINC000131405636 369061241 /nfs/dbraw/zinc/06/12/41/369061241.db2.gz CQQJCKAZLDEPFI-UHFFFAOYSA-N 1 2 261.316 1.726 20 30 CDEDLO CCC[N@@H+](CCC(=O)N(C)CCC#N)CC(F)F ZINC000131405636 369061245 /nfs/dbraw/zinc/06/12/45/369061245.db2.gz CQQJCKAZLDEPFI-UHFFFAOYSA-N 1 2 261.316 1.726 20 30 CDEDLO C[C@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)[C@@H](C)CO1 ZINC000330693353 203124610 /nfs/dbraw/zinc/12/46/10/203124610.db2.gz HQAWKRMCHQQIIT-STQMWFEESA-N 1 2 287.363 1.284 20 30 CDEDLO C[C@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)[C@@H](C)CO1 ZINC000330693353 203124614 /nfs/dbraw/zinc/12/46/14/203124614.db2.gz HQAWKRMCHQQIIT-STQMWFEESA-N 1 2 287.363 1.284 20 30 CDEDLO CC#CC[NH2+]Cc1cn(C2CC(OC(C)C)C2)nn1 ZINC000630607833 369381847 /nfs/dbraw/zinc/38/18/47/369381847.db2.gz NCUNIBSYYROXIW-UHFFFAOYSA-N 1 2 262.357 1.520 20 30 CDEDLO Cc1cc(NC(=O)C[C@@H](C)n2cc[nH+]c2)n(CCC#N)n1 ZINC000564661074 370245598 /nfs/dbraw/zinc/24/55/98/370245598.db2.gz PBGSLFQXKSUNOZ-GFCCVEGCSA-N 1 2 286.339 1.892 20 30 CDEDLO C=CCCc1noc([C@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000351267947 372380289 /nfs/dbraw/zinc/38/02/89/372380289.db2.gz KJMHYALLMGAAJT-LLVKDONJSA-N 1 2 251.330 1.970 20 30 CDEDLO C=CCCc1noc([C@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC000351267947 372380293 /nfs/dbraw/zinc/38/02/93/372380293.db2.gz KJMHYALLMGAAJT-LLVKDONJSA-N 1 2 251.330 1.970 20 30 CDEDLO C#CC[NH+](CC#C)CC(=O)N[C@@H](C)c1cccs1 ZINC000174525677 372591954 /nfs/dbraw/zinc/59/19/54/372591954.db2.gz RFQGHACBVNADCG-LBPRGKRZSA-N 1 2 260.362 1.494 20 30 CDEDLO CN(C)c1ccc(NCc2cc(C#N)n(C)c2)c[nH+]1 ZINC000232314293 372962678 /nfs/dbraw/zinc/96/26/78/372962678.db2.gz KWGZBZCRCBVWAO-UHFFFAOYSA-N 1 2 255.325 1.970 20 30 CDEDLO C=CCN(CCOC)C(=O)c1ccc2[nH+]ccn2c1 ZINC000191961724 373559850 /nfs/dbraw/zinc/55/98/50/373559850.db2.gz QUFZWIIFJRUTIC-UHFFFAOYSA-N 1 2 259.309 1.609 20 30 CDEDLO N#CCCCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000193160986 373682487 /nfs/dbraw/zinc/68/24/87/373682487.db2.gz KWRUXDOUUORLQS-CQSZACIVSA-N 1 2 279.384 1.440 20 30 CDEDLO N#CCCCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000193160986 373682492 /nfs/dbraw/zinc/68/24/92/373682492.db2.gz KWRUXDOUUORLQS-CQSZACIVSA-N 1 2 279.384 1.440 20 30 CDEDLO Cn1cc(C[NH2+]Cc2ncnn2-c2ccccc2)cc1C#N ZINC000355196136 373825553 /nfs/dbraw/zinc/82/55/53/373825553.db2.gz HTMWKYQIAWSLLD-UHFFFAOYSA-N 1 2 292.346 1.767 20 30 CDEDLO N#Cc1csc(C[N@@H+](CCO)[C@@H]2CCCSC2)n1 ZINC000356399896 373843452 /nfs/dbraw/zinc/84/34/52/373843452.db2.gz UONNNWOHFBMKNM-LLVKDONJSA-N 1 2 283.422 1.705 20 30 CDEDLO N#Cc1csc(C[N@H+](CCO)[C@@H]2CCCSC2)n1 ZINC000356399896 373843458 /nfs/dbraw/zinc/84/34/58/373843458.db2.gz UONNNWOHFBMKNM-LLVKDONJSA-N 1 2 283.422 1.705 20 30 CDEDLO Cn1cc([C@@H](CO)[NH2+]Cc2cc(C#N)ccc2F)cn1 ZINC000274126039 374131592 /nfs/dbraw/zinc/13/15/92/374131592.db2.gz VRPPIAPTUDNMFD-CQSZACIVSA-N 1 2 274.299 1.254 20 30 CDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H](O)C2)c(C#N)c1C ZINC000351776466 374283008 /nfs/dbraw/zinc/28/30/08/374283008.db2.gz BLGNUKFPTITWAR-DFAYQTQMSA-N 1 2 291.351 1.408 20 30 CDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H](O)C2)c(C#N)c1C ZINC000351776466 374283014 /nfs/dbraw/zinc/28/30/14/374283014.db2.gz BLGNUKFPTITWAR-DFAYQTQMSA-N 1 2 291.351 1.408 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)s1 ZINC000042385243 374333582 /nfs/dbraw/zinc/33/35/82/374333582.db2.gz ZTEFWKUBRXSPLC-VIFPVBQESA-N 1 2 270.785 1.971 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000042385243 374333587 /nfs/dbraw/zinc/33/35/87/374333587.db2.gz ZTEFWKUBRXSPLC-VIFPVBQESA-N 1 2 270.785 1.971 20 30 CDEDLO C[C@H]1COCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000371103055 374409589 /nfs/dbraw/zinc/40/95/89/374409589.db2.gz ZPFPNOBEZCQIDB-SNVBAGLBSA-N 1 2 279.365 1.527 20 30 CDEDLO C[C@H]1COCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000371103055 374409595 /nfs/dbraw/zinc/40/95/95/374409595.db2.gz ZPFPNOBEZCQIDB-SNVBAGLBSA-N 1 2 279.365 1.527 20 30 CDEDLO C[C@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC(C)(C)O1 ZINC000115537469 374412898 /nfs/dbraw/zinc/41/28/98/374412898.db2.gz JISBRRMQKRZALR-FZMZJTMJSA-N 1 2 287.363 1.584 20 30 CDEDLO C[C@H]1C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC(C)(C)O1 ZINC000115537469 374412903 /nfs/dbraw/zinc/41/29/03/374412903.db2.gz JISBRRMQKRZALR-FZMZJTMJSA-N 1 2 287.363 1.584 20 30 CDEDLO COC(=O)C1(C)C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000425374324 374436839 /nfs/dbraw/zinc/43/68/39/374436839.db2.gz PMLJJDSZEDBXME-UHFFFAOYSA-N 1 2 262.284 1.692 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nnc2n1CCOC2 ZINC000425533804 374444345 /nfs/dbraw/zinc/44/43/45/374444345.db2.gz LFIAFAQQZBOYRR-LBPRGKRZSA-N 1 2 297.362 1.873 20 30 CDEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nnc2n1CCOC2 ZINC000425533804 374444350 /nfs/dbraw/zinc/44/43/50/374444350.db2.gz LFIAFAQQZBOYRR-LBPRGKRZSA-N 1 2 297.362 1.873 20 30 CDEDLO CCOC[C@@H]1C[N@H+](CCOc2ccccc2C#N)CCO1 ZINC000528715963 374455509 /nfs/dbraw/zinc/45/55/09/374455509.db2.gz AXQSGMNYDVCNJU-HNNXBMFYSA-N 1 2 290.363 1.674 20 30 CDEDLO CCOC[C@@H]1C[N@@H+](CCOc2ccccc2C#N)CCO1 ZINC000528715963 374455518 /nfs/dbraw/zinc/45/55/18/374455518.db2.gz AXQSGMNYDVCNJU-HNNXBMFYSA-N 1 2 290.363 1.674 20 30 CDEDLO CCOC[C@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000081520584 374513541 /nfs/dbraw/zinc/51/35/41/374513541.db2.gz YFPOTSSMBLBHPE-NSHDSACASA-N 1 2 293.392 1.917 20 30 CDEDLO CCOC[C@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000081520584 374513545 /nfs/dbraw/zinc/51/35/45/374513545.db2.gz YFPOTSSMBLBHPE-NSHDSACASA-N 1 2 293.392 1.917 20 30 CDEDLO N#Cc1ccccc1OCC[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000378154979 374633566 /nfs/dbraw/zinc/63/35/66/374633566.db2.gz NQCDLFHUQHSMPR-ZDUSSCGKSA-N 1 2 287.319 1.073 20 30 CDEDLO N#Cc1ccccc1OCC[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000378154979 374633576 /nfs/dbraw/zinc/63/35/76/374633576.db2.gz NQCDLFHUQHSMPR-ZDUSSCGKSA-N 1 2 287.319 1.073 20 30 CDEDLO CCNC(=O)N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118391564 374657530 /nfs/dbraw/zinc/65/75/30/374657530.db2.gz URAALBUYUBZSHT-ZDUSSCGKSA-N 1 2 286.379 1.966 20 30 CDEDLO C[C@@H]1c2nncn2CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000276729474 374745409 /nfs/dbraw/zinc/74/54/09/374745409.db2.gz BEHMEHBXSCJFTM-SNVBAGLBSA-N 1 2 256.313 1.065 20 30 CDEDLO C[C@@H]1c2nncn2CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000276729474 374745412 /nfs/dbraw/zinc/74/54/12/374745412.db2.gz BEHMEHBXSCJFTM-SNVBAGLBSA-N 1 2 256.313 1.065 20 30 CDEDLO N#C[C@H]1CC[C@@H](Nc2nc(N)c3ccccc3[nH+]2)C1 ZINC000574567554 335029758 /nfs/dbraw/zinc/02/97/58/335029758.db2.gz BKKYOOYZGACCLX-VHSXEESVSA-N 1 2 253.309 1.568 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000126231355 374987671 /nfs/dbraw/zinc/98/76/71/374987671.db2.gz CSEMBMYZDLLZNY-GOEBONIOSA-N 1 2 286.375 1.506 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000126231355 374987675 /nfs/dbraw/zinc/98/76/75/374987675.db2.gz CSEMBMYZDLLZNY-GOEBONIOSA-N 1 2 286.375 1.506 20 30 CDEDLO Cn1cnc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)n1 ZINC000353253860 375208566 /nfs/dbraw/zinc/20/85/66/375208566.db2.gz LLMDTWUKBSKVQS-CYBMUJFWSA-N 1 2 253.309 1.464 20 30 CDEDLO C[C@@H](O)[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000162754263 375506863 /nfs/dbraw/zinc/50/68/63/375506863.db2.gz YGZIRODCQOGIIT-MWLCHTKSSA-N 1 2 279.365 1.261 20 30 CDEDLO C[C@@H](O)[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000162754263 375506869 /nfs/dbraw/zinc/50/68/69/375506869.db2.gz YGZIRODCQOGIIT-MWLCHTKSSA-N 1 2 279.365 1.261 20 30 CDEDLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCC#N ZINC000061799483 375866971 /nfs/dbraw/zinc/86/69/71/375866971.db2.gz ARAQYPGJKMCLGU-SNVBAGLBSA-N 1 2 267.354 1.240 20 30 CDEDLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCC#N ZINC000061799483 375866979 /nfs/dbraw/zinc/86/69/79/375866979.db2.gz ARAQYPGJKMCLGU-SNVBAGLBSA-N 1 2 267.354 1.240 20 30 CDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1CCCC(=O)N1 ZINC000328832083 375979346 /nfs/dbraw/zinc/97/93/46/375979346.db2.gz VNRYDFVWDHSGGR-LLVKDONJSA-N 1 2 283.372 1.563 20 30 CDEDLO CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1CCCC(=O)N1 ZINC000328832083 375979353 /nfs/dbraw/zinc/97/93/53/375979353.db2.gz VNRYDFVWDHSGGR-LLVKDONJSA-N 1 2 283.372 1.563 20 30 CDEDLO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCCN(C(C)C)C1=O ZINC000245620107 376117989 /nfs/dbraw/zinc/11/79/89/376117989.db2.gz NMKOFEKBHDTDGC-STQMWFEESA-N 1 2 251.374 1.867 20 30 CDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCCN(C(C)C)C1=O ZINC000245620107 376117995 /nfs/dbraw/zinc/11/79/95/376117995.db2.gz NMKOFEKBHDTDGC-STQMWFEESA-N 1 2 251.374 1.867 20 30 CDEDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+](C)CCNC(=O)N(C)C ZINC000330628937 376297674 /nfs/dbraw/zinc/29/76/74/376297674.db2.gz ZXKXEXBKISYQFM-BETUJISGSA-N 1 2 298.431 1.183 20 30 CDEDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000330628937 376297678 /nfs/dbraw/zinc/29/76/78/376297678.db2.gz ZXKXEXBKISYQFM-BETUJISGSA-N 1 2 298.431 1.183 20 30 CDEDLO CCCC[N@H+](CC(N)=O)Cc1ccc(F)cc1C#N ZINC000171378635 376557457 /nfs/dbraw/zinc/55/74/57/376557457.db2.gz VLROEJKRPQBPOQ-UHFFFAOYSA-N 1 2 263.316 1.785 20 30 CDEDLO CCCC[N@@H+](CC(N)=O)Cc1ccc(F)cc1C#N ZINC000171378635 376557459 /nfs/dbraw/zinc/55/74/59/376557459.db2.gz VLROEJKRPQBPOQ-UHFFFAOYSA-N 1 2 263.316 1.785 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420933628 376532013 /nfs/dbraw/zinc/53/20/13/376532013.db2.gz HUKCDSZXNMCVSR-UONOGXRCSA-N 1 2 296.411 1.047 20 30 CDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420933628 376532016 /nfs/dbraw/zinc/53/20/16/376532016.db2.gz HUKCDSZXNMCVSR-UONOGXRCSA-N 1 2 296.411 1.047 20 30 CDEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000056316713 377747532 /nfs/dbraw/zinc/74/75/32/377747532.db2.gz PPZINOBMWREZDH-GFCCVEGCSA-N 1 2 297.399 1.278 20 30 CDEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000056316713 377747538 /nfs/dbraw/zinc/74/75/38/377747538.db2.gz PPZINOBMWREZDH-GFCCVEGCSA-N 1 2 297.399 1.278 20 30 CDEDLO CS[C@@H](C)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000161830795 377772878 /nfs/dbraw/zinc/77/28/78/377772878.db2.gz KHAFXFAUQKQQGT-ZDUSSCGKSA-N 1 2 299.440 1.202 20 30 CDEDLO COc1ccc([C@@H](CO)[N@H+](C)CC2(C#N)CC2)cc1 ZINC000343297079 377918626 /nfs/dbraw/zinc/91/86/26/377918626.db2.gz AYSIDXRSDUYIKH-CQSZACIVSA-N 1 2 260.337 1.964 20 30 CDEDLO COc1ccc([C@@H](CO)[N@@H+](C)CC2(C#N)CC2)cc1 ZINC000343297079 377918632 /nfs/dbraw/zinc/91/86/32/377918632.db2.gz AYSIDXRSDUYIKH-CQSZACIVSA-N 1 2 260.337 1.964 20 30 CDEDLO COc1ccc([C@H](C)C[NH+]2CC(O)(CC#N)C2)cc1 ZINC000190979463 377951651 /nfs/dbraw/zinc/95/16/51/377951651.db2.gz NSTKXPZRMZVLCE-GFCCVEGCSA-N 1 2 260.337 1.759 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000092703343 378006963 /nfs/dbraw/zinc/00/69/63/378006963.db2.gz AVTYMFPTDWGXKU-CVEARBPZSA-N 1 2 298.386 1.942 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000092703343 378006967 /nfs/dbraw/zinc/00/69/67/378006967.db2.gz AVTYMFPTDWGXKU-CVEARBPZSA-N 1 2 298.386 1.942 20 30 CDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000192239035 378178269 /nfs/dbraw/zinc/17/82/69/378178269.db2.gz IGDGWRZISGZTFE-LBPRGKRZSA-N 1 2 260.337 1.977 20 30 CDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000192239035 378178273 /nfs/dbraw/zinc/17/82/73/378178273.db2.gz IGDGWRZISGZTFE-LBPRGKRZSA-N 1 2 260.337 1.977 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1F ZINC000192226084 378178651 /nfs/dbraw/zinc/17/86/51/378178651.db2.gz HIOPZCQSGBRIEQ-UHFFFAOYSA-N 1 2 254.692 1.983 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1F ZINC000192226084 378178655 /nfs/dbraw/zinc/17/86/55/378178655.db2.gz HIOPZCQSGBRIEQ-UHFFFAOYSA-N 1 2 254.692 1.983 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)NCc1cccc(COC)c1 ZINC000192235963 378179687 /nfs/dbraw/zinc/17/96/87/378179687.db2.gz IEVIVAOBNCJJTC-UHFFFAOYSA-N 1 2 260.337 1.014 20 30 CDEDLO C#CC[N@H+](C)CC(=O)NCc1cccc(COC)c1 ZINC000192235963 378179690 /nfs/dbraw/zinc/17/96/90/378179690.db2.gz IEVIVAOBNCJJTC-UHFFFAOYSA-N 1 2 260.337 1.014 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N(C)Cc1ccccc1F ZINC000292902118 378527086 /nfs/dbraw/zinc/52/70/86/378527086.db2.gz AMKIAXUANNANON-UHFFFAOYSA-N 1 2 262.328 1.739 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N(C)Cc1ccccc1F ZINC000292902118 378527095 /nfs/dbraw/zinc/52/70/95/378527095.db2.gz AMKIAXUANNANON-UHFFFAOYSA-N 1 2 262.328 1.739 20 30 CDEDLO C=CCCOCCNC(=O)NCc1c[nH+]ccc1OC ZINC000293014742 378532779 /nfs/dbraw/zinc/53/27/79/378532779.db2.gz MFHUAVCBMYDRJY-UHFFFAOYSA-N 1 2 279.340 1.482 20 30 CDEDLO C#C[C@H](NC(=O)NCc1[nH+]ccn1CC)C(C)(C)C ZINC000296587033 378731779 /nfs/dbraw/zinc/73/17/79/378731779.db2.gz KBIHUDMMHZXPBF-NSHDSACASA-N 1 2 262.357 1.750 20 30 CDEDLO C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000334561587 379090258 /nfs/dbraw/zinc/09/02/58/379090258.db2.gz VAEWUMCSZGFXSR-CYBMUJFWSA-N 1 2 298.346 1.840 20 30 CDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(C#N)cs1 ZINC000279249499 194352418 /nfs/dbraw/zinc/35/24/18/194352418.db2.gz GZLLOLLAXQPPQW-LLVKDONJSA-N 1 2 293.392 1.412 20 30 CDEDLO CC#CC[N@H+](C)CC(=O)N1CCc2ccccc2C1 ZINC000339751168 412953487 /nfs/dbraw/zinc/95/34/87/412953487.db2.gz CCIXVCGLLLYFJH-UHFFFAOYSA-N 1 2 256.349 1.526 20 30 CDEDLO CC#CC[N@@H+](C)CC(=O)N1CCc2ccccc2C1 ZINC000339751168 412953501 /nfs/dbraw/zinc/95/35/01/412953501.db2.gz CCIXVCGLLLYFJH-UHFFFAOYSA-N 1 2 256.349 1.526 20 30 CDEDLO N#Cc1ccc(/C=C/C(=O)NCCn2cc[nH+]c2)cc1 ZINC000491184676 253065926 /nfs/dbraw/zinc/06/59/26/253065926.db2.gz HQCACRUIVODUKF-AATRIKPKSA-N 1 2 266.304 1.584 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C\c1cccc(C#N)c1 ZINC000491188061 253066604 /nfs/dbraw/zinc/06/66/04/253066604.db2.gz WBGABXJMYCNLEG-CFHLNLSMSA-N 1 2 280.331 1.973 20 30 CDEDLO C#CC[N@@H+](C)CCCS(=O)(=O)c1ccccc1OC ZINC000192229311 533109570 /nfs/dbraw/zinc/10/95/70/533109570.db2.gz QKXFBESNAAJYKG-UHFFFAOYSA-N 1 2 281.377 1.424 20 30 CDEDLO C#CC[N@H+](C)CCCS(=O)(=O)c1ccccc1OC ZINC000192229311 533109576 /nfs/dbraw/zinc/10/95/76/533109576.db2.gz QKXFBESNAAJYKG-UHFFFAOYSA-N 1 2 281.377 1.424 20 30 CDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000192232265 533113185 /nfs/dbraw/zinc/11/31/85/533113185.db2.gz PTAJFQLSFJMEOI-LLVKDONJSA-N 1 2 276.336 1.596 20 30 CDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000192232265 533113195 /nfs/dbraw/zinc/11/31/95/533113195.db2.gz PTAJFQLSFJMEOI-LLVKDONJSA-N 1 2 276.336 1.596 20 30 CDEDLO CCOC(=O)N1CCC[N@H+](Cc2ccc(C#N)cn2)CC1 ZINC000497242473 254046478 /nfs/dbraw/zinc/04/64/78/254046478.db2.gz GWEZFCYTVCWVKW-UHFFFAOYSA-N 1 2 288.351 1.617 20 30 CDEDLO CCOC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cn2)CC1 ZINC000497242473 254046479 /nfs/dbraw/zinc/04/64/79/254046479.db2.gz GWEZFCYTVCWVKW-UHFFFAOYSA-N 1 2 288.351 1.617 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)OC)[nH]2)C1=O ZINC000281342645 195205139 /nfs/dbraw/zinc/20/51/39/195205139.db2.gz SWNFCQICZZCDCK-ZDUSSCGKSA-N 1 2 291.351 1.020 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(C(=O)OC)[nH]2)C1=O ZINC000281342645 195205141 /nfs/dbraw/zinc/20/51/41/195205141.db2.gz SWNFCQICZZCDCK-ZDUSSCGKSA-N 1 2 291.351 1.020 20 30 CDEDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000219518692 390209573 /nfs/dbraw/zinc/20/95/73/390209573.db2.gz KJSMPPXXCNVIGH-LBPRGKRZSA-N 1 2 261.300 1.408 20 30 CDEDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1F ZINC000219518692 390209580 /nfs/dbraw/zinc/20/95/80/390209580.db2.gz KJSMPPXXCNVIGH-LBPRGKRZSA-N 1 2 261.300 1.408 20 30 CDEDLO C=C[C@@H](O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000646900479 390219640 /nfs/dbraw/zinc/21/96/40/390219640.db2.gz WWXGLNRQBFGKEB-CQSZACIVSA-N 1 2 285.347 1.289 20 30 CDEDLO CCc1c[nH+]ccc1NC(=O)c1ncc(C#N)cc1C ZINC000550766168 390487671 /nfs/dbraw/zinc/48/76/71/390487671.db2.gz MWHJZRSZLZKZRR-UHFFFAOYSA-N 1 2 266.304 1.893 20 30 CDEDLO C=C(CC)C[N@@H+]1CCC[C@H](C(=O)OC)[C@H]1C(=O)OC ZINC000358615492 390800282 /nfs/dbraw/zinc/80/02/82/390800282.db2.gz DKOBTTSRHQGKLA-RYUDHWBXSA-N 1 2 269.341 1.379 20 30 CDEDLO C=C(CC)C[N@H+]1CCC[C@H](C(=O)OC)[C@H]1C(=O)OC ZINC000358615492 390800283 /nfs/dbraw/zinc/80/02/83/390800283.db2.gz DKOBTTSRHQGKLA-RYUDHWBXSA-N 1 2 269.341 1.379 20 30 CDEDLO Cc1cc(C)c(NC(=O)CO[NH+]=C(N)CCO)c(Cl)c1 ZINC000136068917 390941013 /nfs/dbraw/zinc/94/10/13/390941013.db2.gz WBGNHQCKLHXAEQ-UHFFFAOYSA-N 1 2 299.758 1.567 20 30 CDEDLO Cc1cc(NC(=O)NC[C@@H]2CCCCS2(=O)=O)cc[nH+]1 ZINC000329496782 390998941 /nfs/dbraw/zinc/99/89/41/390998941.db2.gz DXIGXHDOVNHQIS-LBPRGKRZSA-N 1 2 297.380 1.105 20 30 CDEDLO Cc1cc(C[N@@H+]2CCOC[C@@]23CCOC3)ccc1C#N ZINC000441369693 391097270 /nfs/dbraw/zinc/09/72/70/391097270.db2.gz FJJVAKZCCXKVFQ-INIZCTEOSA-N 1 2 272.348 1.858 20 30 CDEDLO Cc1cc(C[N@H+]2CCOC[C@@]23CCOC3)ccc1C#N ZINC000441369693 391097278 /nfs/dbraw/zinc/09/72/78/391097278.db2.gz FJJVAKZCCXKVFQ-INIZCTEOSA-N 1 2 272.348 1.858 20 30 CDEDLO CC1(C)SC[C@@H]1[NH+]=C([O-])N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329619242 391034097 /nfs/dbraw/zinc/03/40/97/391034097.db2.gz QUKNCLJZMMXNLA-KCJUWKMLSA-N 1 2 280.397 1.665 20 30 CDEDLO N#CC1(F)CC[NH+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000352459141 391147342 /nfs/dbraw/zinc/14/73/42/391147342.db2.gz UOTANMNWKBUATR-UHFFFAOYSA-N 1 2 293.317 1.770 20 30 CDEDLO C[C@@H](C#N)CN(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000270057646 391262762 /nfs/dbraw/zinc/26/27/62/391262762.db2.gz JTPSSVVKHIRUJP-QWHCGFSZSA-N 1 2 287.367 1.461 20 30 CDEDLO Cc1ncc(CO)c(/C=[NH+]/C[C@H]2CCO[C@H](C)C2)c1O ZINC000271447466 391295106 /nfs/dbraw/zinc/29/51/06/391295106.db2.gz UDVUZXOUXHKKIK-UHDFIUQYSA-N 1 2 278.352 1.822 20 30 CDEDLO C=C(C)[C@H](CC(=O)N[C@H](C)C[NH+]1CCOCC1)OCC ZINC000339420936 391298160 /nfs/dbraw/zinc/29/81/60/391298160.db2.gz JGUWCDCIEWMYFV-KGLIPLIRSA-N 1 2 284.400 1.195 20 30 CDEDLO N#CC1(C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000328965475 391400154 /nfs/dbraw/zinc/40/01/54/391400154.db2.gz MJURLRCWKOYFGF-UPJWGTAASA-N 1 2 250.342 1.152 20 30 CDEDLO N#CC1(C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000328965475 391400156 /nfs/dbraw/zinc/40/01/56/391400156.db2.gz MJURLRCWKOYFGF-UPJWGTAASA-N 1 2 250.342 1.152 20 30 CDEDLO CSc1ccccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000411305552 391427725 /nfs/dbraw/zinc/42/77/25/391427725.db2.gz DCEDLFRJUPORCN-GFCCVEGCSA-N 1 2 280.393 1.994 20 30 CDEDLO CSc1ccccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000411305552 391427727 /nfs/dbraw/zinc/42/77/27/391427727.db2.gz DCEDLFRJUPORCN-GFCCVEGCSA-N 1 2 280.393 1.994 20 30 CDEDLO CCn1cc[nH+]c1[C@H](NC(=O)N(C)C)C1CCOCC1 ZINC000330536330 391445247 /nfs/dbraw/zinc/44/52/47/391445247.db2.gz PSXLXPCWOZLHPN-GFCCVEGCSA-N 1 2 280.372 1.846 20 30 CDEDLO Cc1nc(NCc2cccc(C(=O)N(C)CC#N)c2)cc[nH+]1 ZINC000348733476 391451064 /nfs/dbraw/zinc/45/10/64/391451064.db2.gz BTNIRLFXCBZGAO-UHFFFAOYSA-N 1 2 295.346 1.415 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](CCC)[C@H](C)C(=O)OCC)C1=O ZINC000411646803 391501505 /nfs/dbraw/zinc/50/15/05/391501505.db2.gz LBDGUUSHEFBRCN-OLZOCXBDSA-N 1 2 282.384 1.437 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](CCC)[C@H](C)C(=O)OCC)C1=O ZINC000411646803 391501508 /nfs/dbraw/zinc/50/15/08/391501508.db2.gz LBDGUUSHEFBRCN-OLZOCXBDSA-N 1 2 282.384 1.437 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000192219786 391715179 /nfs/dbraw/zinc/71/51/79/391715179.db2.gz YEXQHLJZWFIDOU-UHFFFAOYSA-N 1 2 273.380 1.276 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000192219786 391715180 /nfs/dbraw/zinc/71/51/80/391715180.db2.gz YEXQHLJZWFIDOU-UHFFFAOYSA-N 1 2 273.380 1.276 20 30 CDEDLO C=CCN1CC[C@@H]([N@H+]2CCn3cccc3[C@H]2C)C1=O ZINC000281897544 391662843 /nfs/dbraw/zinc/66/28/43/391662843.db2.gz FKQFDRXWJFHRQU-TZMCWYRMSA-N 1 2 259.353 1.652 20 30 CDEDLO C=CCN1CC[C@@H]([N@@H+]2CCn3cccc3[C@H]2C)C1=O ZINC000281897544 391662847 /nfs/dbraw/zinc/66/28/47/391662847.db2.gz FKQFDRXWJFHRQU-TZMCWYRMSA-N 1 2 259.353 1.652 20 30 CDEDLO C=CCC[C@H](CO)Nc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000413318997 391750825 /nfs/dbraw/zinc/75/08/25/391750825.db2.gz NZIYWJYNHYONRF-GHMZBOCLSA-N 1 2 266.345 1.008 20 30 CDEDLO C=CCC[C@H](CO)Nc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000413318997 391750826 /nfs/dbraw/zinc/75/08/26/391750826.db2.gz NZIYWJYNHYONRF-GHMZBOCLSA-N 1 2 266.345 1.008 20 30 CDEDLO Cc1[nH]c(C(=O)NC2(c3ncon3)CCOCC2)c[nH+]1 ZINC000329733775 391766410 /nfs/dbraw/zinc/76/64/10/391766410.db2.gz JVJVSGBTRLSUKL-UHFFFAOYSA-N 1 2 277.284 1.112 20 30 CDEDLO C[C@@H](NC(=O)N1CCn2cc[nH+]c2C1)c1cnn(C)c1 ZINC000329822838 391785853 /nfs/dbraw/zinc/78/58/53/391785853.db2.gz ZFYXZYDUZZRBEO-SNVBAGLBSA-N 1 2 274.328 1.107 20 30 CDEDLO CC[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)C1CCOCC1 ZINC000329948801 391804380 /nfs/dbraw/zinc/80/43/80/391804380.db2.gz KZNXMYIZDJUQNE-KBPBESRZSA-N 1 2 299.415 1.026 20 30 CDEDLO CC[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)C1CCOCC1 ZINC000329948801 391804385 /nfs/dbraw/zinc/80/43/85/391804385.db2.gz KZNXMYIZDJUQNE-KBPBESRZSA-N 1 2 299.415 1.026 20 30 CDEDLO Cc1cnc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)o1 ZINC000329383901 391791368 /nfs/dbraw/zinc/79/13/68/391791368.db2.gz RIRNJTVSZAOLAM-ZYHUDNBSSA-N 1 2 294.355 1.324 20 30 CDEDLO C#CC[N@@H+](CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000491380611 391853943 /nfs/dbraw/zinc/85/39/43/391853943.db2.gz AALRWTUXOXVADZ-OAHLLOKOSA-N 1 2 292.404 1.055 20 30 CDEDLO C#CC[N@H+](CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000491380611 391853945 /nfs/dbraw/zinc/85/39/45/391853945.db2.gz AALRWTUXOXVADZ-OAHLLOKOSA-N 1 2 292.404 1.055 20 30 CDEDLO C=CCCOCCCCC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000342868457 392052223 /nfs/dbraw/zinc/05/22/23/392052223.db2.gz WWIJJJRYZROKIL-HNNXBMFYSA-N 1 2 297.443 1.111 20 30 CDEDLO C=CCCOCCCCC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000342868457 392052225 /nfs/dbraw/zinc/05/22/25/392052225.db2.gz WWIJJJRYZROKIL-HNNXBMFYSA-N 1 2 297.443 1.111 20 30 CDEDLO C#CC[NH+]1CCN(c2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000491745778 392570423 /nfs/dbraw/zinc/57/04/23/392570423.db2.gz NUJNBCISMXWMBK-UHFFFAOYSA-N 1 2 270.292 1.222 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cnc2c(C#N)cnn2c1 ZINC000491784792 392571420 /nfs/dbraw/zinc/57/14/20/392571420.db2.gz TXOUARGVKAEFDO-UHFFFAOYSA-N 1 2 263.304 1.059 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cnc2c(C#N)cnn2c1 ZINC000491784792 392571422 /nfs/dbraw/zinc/57/14/22/392571422.db2.gz TXOUARGVKAEFDO-UHFFFAOYSA-N 1 2 263.304 1.059 20 30 CDEDLO C=C[C@H](O)C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000646573683 392572791 /nfs/dbraw/zinc/57/27/91/392572791.db2.gz WRMYICKZACCWDT-AWEZNQCLSA-N 1 2 294.782 1.531 20 30 CDEDLO COc1cc[nH+]cc1NC(=O)c1ncc(C#N)cc1C ZINC000549930755 392642590 /nfs/dbraw/zinc/64/25/90/392642590.db2.gz HPHGFRAYBRROHR-UHFFFAOYSA-N 1 2 268.276 1.918 20 30 CDEDLO N#Cc1cnc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)c(F)c1 ZINC000413137298 392827087 /nfs/dbraw/zinc/82/70/87/392827087.db2.gz ZDUYOGBIXFSLJI-GFCCVEGCSA-N 1 2 276.315 1.367 20 30 CDEDLO N#Cc1cnc(NC[C@@H]2C[N@H+](C3CC3)CCO2)c(F)c1 ZINC000413137298 392827097 /nfs/dbraw/zinc/82/70/97/392827097.db2.gz ZDUYOGBIXFSLJI-GFCCVEGCSA-N 1 2 276.315 1.367 20 30 CDEDLO C[C@@H]1CCC[C@H](CO)[N@@H+]1Cc1nc(C#N)cs1 ZINC000419237992 392890301 /nfs/dbraw/zinc/89/03/01/392890301.db2.gz MNOGNZZPCYEGKS-MWLCHTKSSA-N 1 2 251.355 1.750 20 30 CDEDLO C[C@@H]1CCC[C@H](CO)[N@H+]1Cc1nc(C#N)cs1 ZINC000419237992 392890305 /nfs/dbraw/zinc/89/03/05/392890305.db2.gz MNOGNZZPCYEGKS-MWLCHTKSSA-N 1 2 251.355 1.750 20 30 CDEDLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)ccc1C#N ZINC000489009743 392864602 /nfs/dbraw/zinc/86/46/02/392864602.db2.gz KOJBRUYTDNJKSO-IUODEOHRSA-N 1 2 260.337 1.448 20 30 CDEDLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)ccc1C#N ZINC000489009743 392864605 /nfs/dbraw/zinc/86/46/05/392864605.db2.gz KOJBRUYTDNJKSO-IUODEOHRSA-N 1 2 260.337 1.448 20 30 CDEDLO CCn1cncc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000417696513 392872823 /nfs/dbraw/zinc/87/28/23/392872823.db2.gz GYDGIYKBKAZFMN-UHFFFAOYSA-N 1 2 296.378 1.492 20 30 CDEDLO CCn1c[nH+]cc1CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000417696513 392872825 /nfs/dbraw/zinc/87/28/25/392872825.db2.gz GYDGIYKBKAZFMN-UHFFFAOYSA-N 1 2 296.378 1.492 20 30 CDEDLO CC(=O)N1CC[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H](C)C1 ZINC000268734615 132057833 /nfs/dbraw/zinc/05/78/33/132057833.db2.gz YDDZJJFSJRTMRH-NSHDSACASA-N 1 2 275.327 1.750 20 30 CDEDLO CC(=O)N1CC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H](C)C1 ZINC000268734615 132057835 /nfs/dbraw/zinc/05/78/35/132057835.db2.gz YDDZJJFSJRTMRH-NSHDSACASA-N 1 2 275.327 1.750 20 30 CDEDLO CC#CC[C@@H](CO)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000649182235 392952527 /nfs/dbraw/zinc/95/25/27/392952527.db2.gz RAWNRDDRBACBHF-INIZCTEOSA-N 1 2 297.358 1.436 20 30 CDEDLO CC#CC[C@@H](CO)NC(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000649183135 392955121 /nfs/dbraw/zinc/95/51/21/392955121.db2.gz MNJHEXWNMBBSQX-ZDUSSCGKSA-N 1 2 299.374 1.489 20 30 CDEDLO Cc1cc(NCCOc2ccc3c(c2)OCO3)c(C#N)c[nH+]1 ZINC000425210855 392993599 /nfs/dbraw/zinc/99/35/99/392993599.db2.gz VZZNWOUJYFLQQP-UHFFFAOYSA-N 1 2 297.314 1.903 20 30 CDEDLO Cc1ccc([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)nc1 ZINC000330261118 292126470 /nfs/dbraw/zinc/12/64/70/292126470.db2.gz UALZPSGMYJTVEY-LLVKDONJSA-N 1 2 271.324 1.927 20 30 CDEDLO C[N@H+](Cc1ccc(F)cc1C#N)[C@H]1CCCCNC1=O ZINC000105610928 147222740 /nfs/dbraw/zinc/22/27/40/147222740.db2.gz QPFOOZLVARPFLV-AWEZNQCLSA-N 1 2 275.327 1.798 20 30 CDEDLO C[N@@H+](Cc1ccc(F)cc1C#N)[C@H]1CCCCNC1=O ZINC000105610928 147222744 /nfs/dbraw/zinc/22/27/44/147222744.db2.gz QPFOOZLVARPFLV-AWEZNQCLSA-N 1 2 275.327 1.798 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000044809225 289235764 /nfs/dbraw/zinc/23/57/64/289235764.db2.gz HYDQCTVPCLIUEK-TZMCWYRMSA-N 1 2 257.337 1.661 20 30 CDEDLO C[C@H](C#N)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000044809225 289235767 /nfs/dbraw/zinc/23/57/67/289235767.db2.gz HYDQCTVPCLIUEK-TZMCWYRMSA-N 1 2 257.337 1.661 20 30 CDEDLO COc1ccc(C#N)cc1NC(=O)CCn1cc[nH+]c1 ZINC000346802120 153304692 /nfs/dbraw/zinc/30/46/92/153304692.db2.gz UARAASUGSJLLSI-UHFFFAOYSA-N 1 2 270.292 1.792 20 30 CDEDLO N#Cc1cnc(NCc2[nH+]ccn2CC(F)(F)F)cn1 ZINC000355414776 157036785 /nfs/dbraw/zinc/03/67/85/157036785.db2.gz DXKGNOKEXNTDNI-UHFFFAOYSA-N 1 2 282.229 1.719 20 30 CDEDLO CCn1cc(C[N@H+](CCO)Cc2ccc(C#N)s2)cn1 ZINC000355522323 157096967 /nfs/dbraw/zinc/09/69/67/157096967.db2.gz AXWPJKNCPWUNGE-UHFFFAOYSA-N 1 2 290.392 1.831 20 30 CDEDLO CCn1cc(C[N@@H+](CCO)Cc2ccc(C#N)s2)cn1 ZINC000355522323 157096969 /nfs/dbraw/zinc/09/69/69/157096969.db2.gz AXWPJKNCPWUNGE-UHFFFAOYSA-N 1 2 290.392 1.831 20 30 CDEDLO CNc1ccc(C#N)cc1NC(=O)Cc1[nH]c[nH+]c1C ZINC000355641935 157161585 /nfs/dbraw/zinc/16/15/85/157161585.db2.gz JGMJKLXVYGPWPU-UHFFFAOYSA-N 1 2 269.308 1.813 20 30 CDEDLO C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC(F)(C#N)CC1 ZINC000352451328 298127252 /nfs/dbraw/zinc/12/72/52/298127252.db2.gz VYRHODOJWYSNSK-SNVBAGLBSA-N 1 2 255.337 1.617 20 30 CDEDLO N#Cc1ccc(OCC[N@@H+]2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000363811130 159341420 /nfs/dbraw/zinc/34/14/20/159341420.db2.gz DONXXYPGOQKIDL-ZDUSSCGKSA-N 1 2 287.319 1.073 20 30 CDEDLO N#Cc1ccc(OCC[N@H+]2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000363811130 159341424 /nfs/dbraw/zinc/34/14/24/159341424.db2.gz DONXXYPGOQKIDL-ZDUSSCGKSA-N 1 2 287.319 1.073 20 30 CDEDLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cn1 ZINC000372342015 160108699 /nfs/dbraw/zinc/10/86/99/160108699.db2.gz MQPFESQBMPEVLF-MRXNPFEDSA-N 1 2 282.347 1.865 20 30 CDEDLO Cn1cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cn1 ZINC000372342015 160108701 /nfs/dbraw/zinc/10/87/01/160108701.db2.gz MQPFESQBMPEVLF-MRXNPFEDSA-N 1 2 282.347 1.865 20 30 CDEDLO N#Cc1ccccc1C[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000374562827 160296761 /nfs/dbraw/zinc/29/67/61/160296761.db2.gz XVOUITYKFZRETK-ZDUSSCGKSA-N 1 2 257.293 1.195 20 30 CDEDLO N#Cc1ccccc1C[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000374562827 160296763 /nfs/dbraw/zinc/29/67/63/160296763.db2.gz XVOUITYKFZRETK-ZDUSSCGKSA-N 1 2 257.293 1.195 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2c2cc[nH]n2)C1=O ZINC000285404100 196274412 /nfs/dbraw/zinc/27/44/12/196274412.db2.gz PARZSDKDLWZMEH-KGLIPLIRSA-N 1 2 274.368 1.724 20 30 CDEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2c2cc[nH]n2)C1=O ZINC000285404100 196274414 /nfs/dbraw/zinc/27/44/14/196274414.db2.gz PARZSDKDLWZMEH-KGLIPLIRSA-N 1 2 274.368 1.724 20 30 CDEDLO C=CC[N@H+](Cc1nnnn1CC1CCOCC1)C(C)(C)C ZINC000661756991 414338005 /nfs/dbraw/zinc/33/80/05/414338005.db2.gz AJUHMVJNMYBNML-UHFFFAOYSA-N 1 2 293.415 1.886 20 30 CDEDLO C=CC[N@@H+](Cc1nnnn1CC1CCOCC1)C(C)(C)C ZINC000661756991 414338009 /nfs/dbraw/zinc/33/80/09/414338009.db2.gz AJUHMVJNMYBNML-UHFFFAOYSA-N 1 2 293.415 1.886 20 30 CDEDLO C=C[C@H](CO)[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000662168312 414548229 /nfs/dbraw/zinc/54/82/29/414548229.db2.gz AZQVFQQYJWTXBN-ZCFIWIBFSA-N 1 2 252.261 1.798 20 30 CDEDLO C=C[C@H](CO)[NH2+][C@H](C)c1nc(-c2cccnc2)no1 ZINC000662165394 414544332 /nfs/dbraw/zinc/54/43/32/414544332.db2.gz DURNEMNSBDSWJG-MWLCHTKSSA-N 1 2 260.297 1.329 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC000043507531 175059689 /nfs/dbraw/zinc/05/96/89/175059689.db2.gz PIANTEKFCNHVEM-UHFFFAOYSA-N 1 2 257.337 1.778 20 30 CDEDLO Cn1c[nH+]cc1CCC(=O)N(CC#N)C1CCCC1 ZINC000330074727 228033624 /nfs/dbraw/zinc/03/36/24/228033624.db2.gz FUYNFHAJCUUOSV-UHFFFAOYSA-N 1 2 260.341 1.647 20 30 CDEDLO N#CC1(NC(=O)c2cccc(-n3cc[nH+]c3)c2)CCOCC1 ZINC000332422382 228158899 /nfs/dbraw/zinc/15/88/99/228158899.db2.gz OFRGTIPBWPOOBG-UHFFFAOYSA-N 1 2 296.330 1.675 20 30 CDEDLO NS(=O)(=O)[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000357393826 260197207 /nfs/dbraw/zinc/19/72/07/260197207.db2.gz XTZULPHMNZMJBB-ZDUSSCGKSA-N 1 2 298.795 1.054 20 30 CDEDLO NS(=O)(=O)[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000357393826 260197209 /nfs/dbraw/zinc/19/72/09/260197209.db2.gz XTZULPHMNZMJBB-ZDUSSCGKSA-N 1 2 298.795 1.054 20 30 CDEDLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CCO1 ZINC000408099330 260229841 /nfs/dbraw/zinc/22/98/41/260229841.db2.gz KKLCKKMQGZGZMA-KGLIPLIRSA-N 1 2 293.411 1.828 20 30 CDEDLO CC[C@H]1C[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CCO1 ZINC000408099330 260229842 /nfs/dbraw/zinc/22/98/42/260229842.db2.gz KKLCKKMQGZGZMA-KGLIPLIRSA-N 1 2 293.411 1.828 20 30 CDEDLO C=CC[N@@H+](CCNS(C)(=O)=O)Cc1ccccc1F ZINC000107299453 260286483 /nfs/dbraw/zinc/28/64/83/260286483.db2.gz NAMMGQUYLCCYOD-UHFFFAOYSA-N 1 2 286.372 1.363 20 30 CDEDLO C=CC[N@H+](CCNS(C)(=O)=O)Cc1ccccc1F ZINC000107299453 260286484 /nfs/dbraw/zinc/28/64/84/260286484.db2.gz NAMMGQUYLCCYOD-UHFFFAOYSA-N 1 2 286.372 1.363 20 30 CDEDLO Cc1[nH+]cc(CN2CCN(CC#N)CC2)n1-c1ccccc1 ZINC000092936293 260504665 /nfs/dbraw/zinc/50/46/65/260504665.db2.gz JZCILWUYYMNWKD-UHFFFAOYSA-N 1 2 295.390 1.822 20 30 CDEDLO Cc1ncc(C[NH+]2CCN(CC#N)CC2)n1-c1ccccc1 ZINC000092936293 260504667 /nfs/dbraw/zinc/50/46/67/260504667.db2.gz JZCILWUYYMNWKD-UHFFFAOYSA-N 1 2 295.390 1.822 20 30 CDEDLO CS(=O)(=O)[C@@H]1CC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000282313886 269804340 /nfs/dbraw/zinc/80/43/40/269804340.db2.gz TZZLSISTEDTERU-CQSZACIVSA-N 1 2 294.376 1.056 20 30 CDEDLO CS(=O)(=O)[C@@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000282313886 269804342 /nfs/dbraw/zinc/80/43/42/269804342.db2.gz TZZLSISTEDTERU-CQSZACIVSA-N 1 2 294.376 1.056 20 30 CDEDLO NC(Cc1ccccc1Cl)=[NH+]OCC(=O)NCC1CC1 ZINC000154266208 261089488 /nfs/dbraw/zinc/08/94/88/261089488.db2.gz ZZCNWRCQRBGFGC-UHFFFAOYSA-N 1 2 295.770 1.698 20 30 CDEDLO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2CC)CC1 ZINC000491193124 261367182 /nfs/dbraw/zinc/36/71/82/261367182.db2.gz VWXAYZNGBRIYHV-UHFFFAOYSA-N 1 2 273.384 1.006 20 30 CDEDLO CC(C)OCCO[NH+]=C(N)COc1ccccc1F ZINC000186863780 262113204 /nfs/dbraw/zinc/11/32/04/262113204.db2.gz YMMREZQSSISEIU-UHFFFAOYSA-N 1 2 270.304 1.918 20 30 CDEDLO C[C@](CO)([NH2+]CC1(C#N)CCC1)c1cccc(O)c1 ZINC000451035041 262712256 /nfs/dbraw/zinc/71/22/56/262712256.db2.gz ABYPFCBTBSLXHU-CQSZACIVSA-N 1 2 260.337 1.883 20 30 CDEDLO Cc1ccc(NC(=O)C(=O)NCCCC#N)c(C)[nH+]1 ZINC000273144852 263013279 /nfs/dbraw/zinc/01/32/79/263013279.db2.gz UWPIMCZSTUEQPL-UHFFFAOYSA-N 1 2 260.297 1.057 20 30 CDEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000276327713 263036356 /nfs/dbraw/zinc/03/63/56/263036356.db2.gz QIGCEAPZGIUGRW-ZDUSSCGKSA-N 1 2 287.363 1.842 20 30 CDEDLO CC(C)(C#N)CC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000279307173 263054502 /nfs/dbraw/zinc/05/45/02/263054502.db2.gz QXZLNHLIYHQMIH-UHFFFAOYSA-N 1 2 286.379 1.666 20 30 CDEDLO Cc1ccoc1C[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000292141434 263128905 /nfs/dbraw/zinc/12/89/05/263128905.db2.gz JIYMQIRNPDMAJK-UHFFFAOYSA-N 1 2 288.351 1.676 20 30 CDEDLO Cc1ccoc1C[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000292141434 263128906 /nfs/dbraw/zinc/12/89/06/263128906.db2.gz JIYMQIRNPDMAJK-UHFFFAOYSA-N 1 2 288.351 1.676 20 30 CDEDLO Cn1ncc(CNc2[nH+]cccc2OCCCC#N)n1 ZINC000296045614 263185058 /nfs/dbraw/zinc/18/50/58/263185058.db2.gz QXMAGRFZPQMFAZ-UHFFFAOYSA-N 1 2 272.312 1.505 20 30 CDEDLO C=CC[C@@H](CO)CNc1cc(NCC2CC2)[nH+]cn1 ZINC000340880737 263311117 /nfs/dbraw/zinc/31/11/17/263311117.db2.gz LKUFHNATISSVMM-GFCCVEGCSA-N 1 2 262.357 1.317 20 30 CDEDLO C=CC[C@@H](CO)CNc1cc(NCC2CC2)nc[nH+]1 ZINC000340880737 263311118 /nfs/dbraw/zinc/31/11/18/263311118.db2.gz LKUFHNATISSVMM-GFCCVEGCSA-N 1 2 262.357 1.317 20 30 CDEDLO C=CC[C@@H](CC)NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000341453257 263335922 /nfs/dbraw/zinc/33/59/22/263335922.db2.gz ACVCWVPOERTHMU-ZIAGYGMSSA-N 1 2 283.416 1.703 20 30 CDEDLO Cn1cc(CNc2[nH+]cccc2OCCCC#N)nn1 ZINC000341976157 263368826 /nfs/dbraw/zinc/36/88/26/263368826.db2.gz ZKHHTYGLYHQLOV-UHFFFAOYSA-N 1 2 272.312 1.505 20 30 CDEDLO CN(CC(=O)NC1CC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000328819025 263867918 /nfs/dbraw/zinc/86/79/18/263867918.db2.gz PJRRJPDGYGOHNO-SNVBAGLBSA-N 1 2 276.340 1.023 20 30 CDEDLO CC[C@@H](C(=O)NCC(C)(C)C#N)[N@@H+]1CCO[C@@H](CC)C1 ZINC000331115927 264128709 /nfs/dbraw/zinc/12/87/09/264128709.db2.gz DPRUNYHKRGATKJ-STQMWFEESA-N 1 2 281.400 1.542 20 30 CDEDLO CC[C@@H](C(=O)NCC(C)(C)C#N)[N@H+]1CCO[C@@H](CC)C1 ZINC000331115927 264128710 /nfs/dbraw/zinc/12/87/10/264128710.db2.gz DPRUNYHKRGATKJ-STQMWFEESA-N 1 2 281.400 1.542 20 30 CDEDLO CCN1CCN(C(=O)NCCCOC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000331203514 264161142 /nfs/dbraw/zinc/16/11/42/264161142.db2.gz RKHGWCWHUQOCHR-GFCCVEGCSA-N 1 2 295.387 1.039 20 30 CDEDLO CCNC(=O)NC(=O)C[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000331326535 264190318 /nfs/dbraw/zinc/19/03/18/264190318.db2.gz FOSNRYMYLSKKLU-UHFFFAOYSA-N 1 2 295.387 1.189 20 30 CDEDLO CCNC(=O)NC(=O)C[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000331326535 264190319 /nfs/dbraw/zinc/19/03/19/264190319.db2.gz FOSNRYMYLSKKLU-UHFFFAOYSA-N 1 2 295.387 1.189 20 30 CDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccoc1 ZINC000331360177 264209023 /nfs/dbraw/zinc/20/90/23/264209023.db2.gz XMPPNTQZAJINHJ-UHFFFAOYSA-N 1 2 252.314 1.695 20 30 CDEDLO C=CCCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000343259871 264243071 /nfs/dbraw/zinc/24/30/71/264243071.db2.gz OJIDOYWDZUAQTC-STQMWFEESA-N 1 2 254.374 1.568 20 30 CDEDLO C=CCC[C@H](NC(=O)CCn1cc[nH+]c1)C(=O)OCC ZINC000456621288 264284229 /nfs/dbraw/zinc/28/42/29/264284229.db2.gz DYHFVGKNPWANIE-LBPRGKRZSA-N 1 2 279.340 1.287 20 30 CDEDLO C[C@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)[C@H](C)[NH+]1CCOCC1 ZINC000425444512 264324040 /nfs/dbraw/zinc/32/40/40/264324040.db2.gz BQCBJHQMLBCDGB-XDQVBPFNSA-N 1 2 294.399 1.087 20 30 CDEDLO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1cc(C)on1 ZINC000285323857 264553273 /nfs/dbraw/zinc/55/32/73/264553273.db2.gz TYYOPDXWATZWTM-SNVBAGLBSA-N 1 2 258.343 1.234 20 30 CDEDLO C=CC[N@H+](Cc1nc2ccc(OC)nc2[nH]1)[C@H](C)COC ZINC000661240940 424074245 /nfs/dbraw/zinc/07/42/45/424074245.db2.gz UBLNWHGXEALZHG-LLVKDONJSA-N 1 2 290.367 1.989 20 30 CDEDLO C=CC[N@@H+](Cc1nc2ccc(OC)nc2[nH]1)[C@H](C)COC ZINC000661240940 424074258 /nfs/dbraw/zinc/07/42/58/424074258.db2.gz UBLNWHGXEALZHG-LLVKDONJSA-N 1 2 290.367 1.989 20 30 CDEDLO CCOC1CC[NH+](CC(=O)Nc2nncs2)CC1 ZINC000048839127 424317365 /nfs/dbraw/zinc/31/73/65/424317365.db2.gz DAWXPFAPSJTTQX-UHFFFAOYSA-N 1 2 270.358 1.627 20 30 CDEDLO C=CCCn1cc(C[N@@H+]2CCCO[C@@H](CC)C2)nn1 ZINC000653660637 424396053 /nfs/dbraw/zinc/39/60/53/424396053.db2.gz KIJBMLQAMSZANQ-AWEZNQCLSA-N 1 2 264.373 1.855 20 30 CDEDLO C=CCCn1cc(C[N@H+]2CCCO[C@@H](CC)C2)nn1 ZINC000653660637 424396062 /nfs/dbraw/zinc/39/60/62/424396062.db2.gz KIJBMLQAMSZANQ-AWEZNQCLSA-N 1 2 264.373 1.855 20 30 CDEDLO CC(C)N1CC[N@H+](CCCSCC#N)CC1=O ZINC000356356054 266101308 /nfs/dbraw/zinc/10/13/08/266101308.db2.gz WDWXDUCBPBGCSB-UHFFFAOYSA-N 1 2 255.387 1.186 20 30 CDEDLO CC(C)N1CC[N@@H+](CCCSCC#N)CC1=O ZINC000356356054 266101310 /nfs/dbraw/zinc/10/13/10/266101310.db2.gz WDWXDUCBPBGCSB-UHFFFAOYSA-N 1 2 255.387 1.186 20 30 CDEDLO C=C[C@H](CO)NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000356879224 266202202 /nfs/dbraw/zinc/20/22/02/266202202.db2.gz YHCZDHKYBUCZEF-LLVKDONJSA-N 1 2 259.309 1.158 20 30 CDEDLO C=CCN(CCOC)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000357164813 266258025 /nfs/dbraw/zinc/25/80/25/266258025.db2.gz NFUTTZYPWAWZOT-UHFFFAOYSA-N 1 2 290.354 1.625 20 30 CDEDLO CCOC[C@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000528723149 267141892 /nfs/dbraw/zinc/14/18/92/267141892.db2.gz ISUPEILKIWMAQF-OAHLLOKOSA-N 1 2 260.337 1.796 20 30 CDEDLO CCOC[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000528723149 267141893 /nfs/dbraw/zinc/14/18/93/267141893.db2.gz ISUPEILKIWMAQF-OAHLLOKOSA-N 1 2 260.337 1.796 20 30 CDEDLO C=CC[N@H+](CCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000119532398 267343889 /nfs/dbraw/zinc/34/38/89/267343889.db2.gz GPDUKFCORGWACB-CYBMUJFWSA-N 1 2 273.398 1.088 20 30 CDEDLO C=CC[N@@H+](CCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000119532398 267343892 /nfs/dbraw/zinc/34/38/92/267343892.db2.gz GPDUKFCORGWACB-CYBMUJFWSA-N 1 2 273.398 1.088 20 30 CDEDLO Cc1cc(C)c(C#N)c(N2CCn3c[nH+]cc3C2)n1 ZINC000290693406 274683209 /nfs/dbraw/zinc/68/32/09/274683209.db2.gz MRICJTOPZPEQHE-UHFFFAOYSA-N 1 2 253.309 1.787 20 30 CDEDLO COCC[N@H+](CC#Cc1cccc(Cl)c1)[C@@H](C)C(N)=O ZINC000160032987 277214322 /nfs/dbraw/zinc/21/43/22/277214322.db2.gz LSXVFWBMCQVGKS-LBPRGKRZSA-N 1 2 294.782 1.514 20 30 CDEDLO COCC[N@@H+](CC#Cc1cccc(Cl)c1)[C@@H](C)C(N)=O ZINC000160032987 277214323 /nfs/dbraw/zinc/21/43/23/277214323.db2.gz LSXVFWBMCQVGKS-LBPRGKRZSA-N 1 2 294.782 1.514 20 30 CDEDLO N#Cc1cc(F)c(N2CC[NH+]([C@H]3CCOC3)CC2)c(F)c1 ZINC000371109622 279503826 /nfs/dbraw/zinc/50/38/26/279503826.db2.gz WLSVKQQYKITXNQ-LBPRGKRZSA-N 1 2 293.317 1.747 20 30 CDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)CC2(CCOCC2)O1 ZINC000570981018 294345777 /nfs/dbraw/zinc/34/57/77/294345777.db2.gz BJKYIIQMWGLWRZ-CYBMUJFWSA-N 1 2 287.363 1.723 20 30 CDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)CC2(CCOCC2)O1 ZINC000570981018 294345780 /nfs/dbraw/zinc/34/57/80/294345780.db2.gz BJKYIIQMWGLWRZ-CYBMUJFWSA-N 1 2 287.363 1.723 20 30 CDEDLO O=C(N[C@@H]1CCCSC1)N1CCn2cc[nH+]c2C1 ZINC000330140556 295380131 /nfs/dbraw/zinc/38/01/31/295380131.db2.gz XBAUXYCULGNSOE-SNVBAGLBSA-N 1 2 266.370 1.508 20 30 CDEDLO N#CC1(F)CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000352484579 303144616 /nfs/dbraw/zinc/14/46/16/303144616.db2.gz RBNJPMPOQHPSBM-UHFFFAOYSA-N 1 2 292.358 1.657 20 30 CDEDLO CCc1oc(C[NH+]2CCN(CC#N)CC2)cc1C(=O)OC ZINC000338944796 327992785 /nfs/dbraw/zinc/99/27/85/327992785.db2.gz JJPMWBUDKBNCJR-UHFFFAOYSA-N 1 2 291.351 1.270 20 30 CDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cn2)C[C@]2(CCCOC2)O1 ZINC000577526630 317349758 /nfs/dbraw/zinc/34/97/58/317349758.db2.gz GNIBKQSHLPZPII-BBRMVZONSA-N 1 2 287.363 1.723 20 30 CDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)C[C@]2(CCCOC2)O1 ZINC000577526630 317349760 /nfs/dbraw/zinc/34/97/60/317349760.db2.gz GNIBKQSHLPZPII-BBRMVZONSA-N 1 2 287.363 1.723 20 30 CDEDLO COC[C@](C)(C#N)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000339974562 328098259 /nfs/dbraw/zinc/09/82/59/328098259.db2.gz WWLCUUBSSIBFQH-INIZCTEOSA-N 1 2 298.346 1.590 20 30 CDEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000412434902 328110260 /nfs/dbraw/zinc/11/02/60/328110260.db2.gz JYAJWEKWKRDKMJ-MRXNPFEDSA-N 1 2 298.427 1.394 20 30 CDEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000298791367 328297411 /nfs/dbraw/zinc/29/74/11/328297411.db2.gz YLZIUAPEVBAMBG-ZDUSSCGKSA-N 1 2 272.352 1.532 20 30 CDEDLO COc1cc(C#N)ccc1C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181290829 323232133 /nfs/dbraw/zinc/23/21/33/323232133.db2.gz LYFMEPZOHOWGEE-LBPRGKRZSA-N 1 2 288.269 1.922 20 30 CDEDLO COc1cc(C#N)ccc1C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181290829 323232136 /nfs/dbraw/zinc/23/21/36/323232136.db2.gz LYFMEPZOHOWGEE-LBPRGKRZSA-N 1 2 288.269 1.922 20 30 CDEDLO CC(C)c1nn(C)cc1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000330507421 328462915 /nfs/dbraw/zinc/46/29/15/328462915.db2.gz MWMYJTPCOVZQFQ-LBPRGKRZSA-N 1 2 294.399 1.569 20 30 CDEDLO CCn1cc(C[N@H+](CCO)Cc2ccc(C#N)cn2)cn1 ZINC000583271155 325142581 /nfs/dbraw/zinc/14/25/81/325142581.db2.gz SVCSUIXHSOHVII-UHFFFAOYSA-N 1 2 285.351 1.164 20 30 CDEDLO CCn1cc(C[N@@H+](CCO)Cc2ccc(C#N)cn2)cn1 ZINC000583271155 325142582 /nfs/dbraw/zinc/14/25/82/325142582.db2.gz SVCSUIXHSOHVII-UHFFFAOYSA-N 1 2 285.351 1.164 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1COc2ccccc2C1 ZINC000584207696 327066824 /nfs/dbraw/zinc/06/68/24/327066824.db2.gz ZBAWPICXSWDJAZ-BBRMVZONSA-N 1 2 287.363 1.198 20 30 CDEDLO C[C@H](C#N)CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000558488045 327097737 /nfs/dbraw/zinc/09/77/37/327097737.db2.gz DQFFUYKXHNPUGY-LLVKDONJSA-N 1 2 284.323 1.608 20 30 CDEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@@]1(C#N)CCOC1 ZINC000358477905 328885913 /nfs/dbraw/zinc/88/59/13/328885913.db2.gz QSOXSKFGRIPMRG-MRXNPFEDSA-N 1 2 298.346 1.398 20 30 CDEDLO C#CCOc1ccccc1C[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000378345981 329046951 /nfs/dbraw/zinc/04/69/51/329046951.db2.gz ONJJVJDRUDNJJS-AWEZNQCLSA-N 1 2 286.331 1.335 20 30 CDEDLO C#CCOc1ccccc1C[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000378345981 329046952 /nfs/dbraw/zinc/04/69/52/329046952.db2.gz ONJJVJDRUDNJJS-AWEZNQCLSA-N 1 2 286.331 1.335 20 30 CDEDLO C=CC[N@H+](CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC000172164202 329081785 /nfs/dbraw/zinc/08/17/85/329081785.db2.gz UTMCXMLHPJLKDD-CQSZACIVSA-N 1 2 280.393 1.299 20 30 CDEDLO C=CC[N@@H+](CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC000172164202 329081788 /nfs/dbraw/zinc/08/17/88/329081788.db2.gz UTMCXMLHPJLKDD-CQSZACIVSA-N 1 2 280.393 1.299 20 30 CDEDLO [NH2+]=C(NCc1nc(-c2ccncc2)n[nH]1)N1CCCCCC1 ZINC000263188923 330048090 /nfs/dbraw/zinc/04/80/90/330048090.db2.gz VGTNIYYASCSGCK-UHFFFAOYSA-N 1 2 299.382 1.557 20 30 CDEDLO N#CCC1(O)C[NH+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000424128398 330259906 /nfs/dbraw/zinc/25/99/06/330259906.db2.gz BYXPLLBWHXVTHM-UHFFFAOYSA-N 1 2 293.754 1.629 20 30 CDEDLO C=CCn1cc(C[NH2+]Cc2c(C)nn(CC)c2C)nn1 ZINC000424174017 330313974 /nfs/dbraw/zinc/31/39/74/330313974.db2.gz QRSMECKRTLTVJR-UHFFFAOYSA-N 1 2 274.372 1.587 20 30 CDEDLO C=CCN(Cc1c[nH+]cn1C)S(=O)(=O)c1cccs1 ZINC000439549234 330740367 /nfs/dbraw/zinc/74/03/67/330740367.db2.gz MVDBFVWCKGJXTN-UHFFFAOYSA-N 1 2 297.405 1.859 20 30 CDEDLO C=CCNC(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000441199812 330762964 /nfs/dbraw/zinc/76/29/64/330762964.db2.gz DWNIQIVHRGNNGC-OAHLLOKOSA-N 1 2 297.399 1.278 20 30 CDEDLO C=CC(C)(C)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000452778872 331077335 /nfs/dbraw/zinc/07/73/35/331077335.db2.gz ZWXBCTVBMVJUDC-UHFFFAOYSA-N 1 2 254.374 1.426 20 30 CDEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CC(OCC)C1 ZINC000453022702 331083901 /nfs/dbraw/zinc/08/39/01/331083901.db2.gz QTUKFIDKGIANSH-HNNXBMFYSA-N 1 2 291.391 1.876 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000456767848 331201874 /nfs/dbraw/zinc/20/18/74/331201874.db2.gz NGENDCKGMIHZDZ-ILXRZTDVSA-N 1 2 298.427 1.319 20 30 CDEDLO C=CCC[C@H](CO)NC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000456767848 331201875 /nfs/dbraw/zinc/20/18/75/331201875.db2.gz NGENDCKGMIHZDZ-ILXRZTDVSA-N 1 2 298.427 1.319 20 30 CDEDLO C#CC[N@@H+](CC#CC)Cc1cccc(C(=O)N(C)C)c1 ZINC000490689151 332104559 /nfs/dbraw/zinc/10/45/59/332104559.db2.gz NJJYFWUKHOZMSP-UHFFFAOYSA-N 1 2 268.360 1.847 20 30 CDEDLO C#CC[N@H+](CC#CC)Cc1cccc(C(=O)N(C)C)c1 ZINC000490689151 332104561 /nfs/dbraw/zinc/10/45/61/332104561.db2.gz NJJYFWUKHOZMSP-UHFFFAOYSA-N 1 2 268.360 1.847 20 30 CDEDLO C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000490738633 332109842 /nfs/dbraw/zinc/10/98/42/332109842.db2.gz BNRMFZSAEFEGML-UHFFFAOYSA-N 1 2 283.331 1.122 20 30 CDEDLO C#CC[NH2+][C@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000490935217 332131092 /nfs/dbraw/zinc/13/10/92/332131092.db2.gz LSYGELOBXJCDRJ-SECBINFHSA-N 1 2 252.339 1.912 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000491386525 332202423 /nfs/dbraw/zinc/20/24/23/332202423.db2.gz VCOQKFRFIWATOY-SNVBAGLBSA-N 1 2 286.422 1.452 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000491386525 332202425 /nfs/dbraw/zinc/20/24/25/332202425.db2.gz VCOQKFRFIWATOY-SNVBAGLBSA-N 1 2 286.422 1.452 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)N(C)Cc1cccc(OC)c1OC ZINC000491474642 332218111 /nfs/dbraw/zinc/21/81/11/332218111.db2.gz OOBCOMOQPOYBHR-UHFFFAOYSA-N 1 2 290.363 1.227 20 30 CDEDLO C#CC[N@H+](C)CC(=O)N(C)Cc1cccc(OC)c1OC ZINC000491474642 332218112 /nfs/dbraw/zinc/21/81/12/332218112.db2.gz OOBCOMOQPOYBHR-UHFFFAOYSA-N 1 2 290.363 1.227 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](O)c1cc2ccccc2o1 ZINC000491496641 332223321 /nfs/dbraw/zinc/22/33/21/332223321.db2.gz RRHPJYAAZDNGOB-UONOGXRCSA-N 1 2 271.316 1.800 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](O)c1cc2ccccc2o1 ZINC000491496641 332223323 /nfs/dbraw/zinc/22/33/23/332223323.db2.gz RRHPJYAAZDNGOB-UONOGXRCSA-N 1 2 271.316 1.800 20 30 CDEDLO C#CC[N@@H+](CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000491516654 332227952 /nfs/dbraw/zinc/22/79/52/332227952.db2.gz VBYKHWJNZNCJQE-HNNXBMFYSA-N 1 2 299.436 1.316 20 30 CDEDLO C#CC[N@H+](CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000491516654 332227953 /nfs/dbraw/zinc/22/79/53/332227953.db2.gz VBYKHWJNZNCJQE-HNNXBMFYSA-N 1 2 299.436 1.316 20 30 CDEDLO C#CCNC(=O)CC[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000491523823 332229238 /nfs/dbraw/zinc/22/92/38/332229238.db2.gz HNJVRZFITMQCOM-OAHLLOKOSA-N 1 2 290.338 1.339 20 30 CDEDLO C#CCNC(=O)CC[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000491523823 332229240 /nfs/dbraw/zinc/22/92/40/332229240.db2.gz HNJVRZFITMQCOM-OAHLLOKOSA-N 1 2 290.338 1.339 20 30 CDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000491566415 332239030 /nfs/dbraw/zinc/23/90/30/332239030.db2.gz GCKLTDOLPLQFLC-RDJZCZTQSA-N 1 2 298.386 1.483 20 30 CDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000491566415 332239031 /nfs/dbraw/zinc/23/90/31/332239031.db2.gz GCKLTDOLPLQFLC-RDJZCZTQSA-N 1 2 298.386 1.483 20 30 CDEDLO C#C[C@@H](CCC)NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000491632703 332254772 /nfs/dbraw/zinc/25/47/72/332254772.db2.gz QFANAQWWDBJOHL-LBPRGKRZSA-N 1 2 270.336 1.935 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1CCN(C(=O)OC(C)(C)C)C1=O ZINC000491713312 332304313 /nfs/dbraw/zinc/30/43/13/332304313.db2.gz JJXUSJCTJWQYFI-NSHDSACASA-N 1 2 281.356 1.570 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1CCN(C(=O)OC(C)(C)C)C1=O ZINC000491713312 332304314 /nfs/dbraw/zinc/30/43/14/332304314.db2.gz JJXUSJCTJWQYFI-NSHDSACASA-N 1 2 281.356 1.570 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000491734752 332315597 /nfs/dbraw/zinc/31/55/97/332315597.db2.gz FBTRYDDKMLIDMU-RISCZKNCSA-N 1 2 250.342 1.319 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000491734752 332315598 /nfs/dbraw/zinc/31/55/98/332315598.db2.gz FBTRYDDKMLIDMU-RISCZKNCSA-N 1 2 250.342 1.319 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cc1cnc(C2OCCO2)s1 ZINC000491751947 332327996 /nfs/dbraw/zinc/32/79/96/332327996.db2.gz VGLVDKPGNHCDJA-SECBINFHSA-N 1 2 252.339 1.642 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cnc(C2OCCO2)s1 ZINC000491751947 332327997 /nfs/dbraw/zinc/32/79/97/332327997.db2.gz VGLVDKPGNHCDJA-SECBINFHSA-N 1 2 252.339 1.642 20 30 CDEDLO C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000491770152 332337017 /nfs/dbraw/zinc/33/70/17/332337017.db2.gz NNYJAYIATFHSQH-LLVKDONJSA-N 1 2 284.319 1.061 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1cc(C)ccc1F ZINC000491816778 332367494 /nfs/dbraw/zinc/36/74/94/332367494.db2.gz NTTVCRCNSKKDQR-LBPRGKRZSA-N 1 2 262.328 1.704 20 30 CDEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1cc(C)ccc1F ZINC000491816778 332367495 /nfs/dbraw/zinc/36/74/95/332367495.db2.gz NTTVCRCNSKKDQR-LBPRGKRZSA-N 1 2 262.328 1.704 20 30 CDEDLO N#CC1CCC(CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493492997 332442475 /nfs/dbraw/zinc/44/24/75/332442475.db2.gz MENHGBRJNNNBJK-WAYWQWQTSA-N 1 2 258.325 1.869 20 30 CDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(Cl)c1 ZINC000517466926 333100032 /nfs/dbraw/zinc/10/00/32/333100032.db2.gz LBGKIXUTGHHSAS-ZDUSSCGKSA-N 1 2 265.744 1.914 20 30 CDEDLO CC/C=C/CCN(CCC#N)CC[NH+]1CCOCC1 ZINC000184596780 333130376 /nfs/dbraw/zinc/13/03/76/333130376.db2.gz YQQPYYILVNZTPG-ONEGZZNKSA-N 1 2 265.401 1.891 20 30 CDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccsc1C(=O)OC ZINC000192235025 333233416 /nfs/dbraw/zinc/23/34/16/333233416.db2.gz CDBYHKPIXMLKSS-UHFFFAOYSA-N 1 2 266.322 1.038 20 30 CDEDLO C#CC[N@H+](C)CC(=O)Nc1ccsc1C(=O)OC ZINC000192235025 333233418 /nfs/dbraw/zinc/23/34/18/333233418.db2.gz CDBYHKPIXMLKSS-UHFFFAOYSA-N 1 2 266.322 1.038 20 30 CDEDLO C[C@@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC(C)(C)O1 ZINC000250110099 333302515 /nfs/dbraw/zinc/30/25/15/333302515.db2.gz KCBCGJSESXUCCA-IAQYHMDHSA-N 1 2 279.384 1.294 20 30 CDEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC(C)(C)O1 ZINC000250110099 333302517 /nfs/dbraw/zinc/30/25/17/333302517.db2.gz KCBCGJSESXUCCA-IAQYHMDHSA-N 1 2 279.384 1.294 20 30 CDEDLO C[C@H](C#N)CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000248460689 334302848 /nfs/dbraw/zinc/30/28/48/334302848.db2.gz WSEVJNUEROPEJK-FRRDWIJNSA-N 1 2 275.356 1.635 20 30 CDEDLO COCc1cccc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000565051687 334536658 /nfs/dbraw/zinc/53/66/58/334536658.db2.gz PWGYJIWJDQDJNL-INIZCTEOSA-N 1 2 289.379 1.336 20 30 CDEDLO C[C@H](C#N)CNC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000566436582 334649073 /nfs/dbraw/zinc/64/90/73/334649073.db2.gz CAHVBWHPYCYTOG-RKDXNWHRSA-N 1 2 288.273 1.732 20 30 CDEDLO Cc1sccc1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000567171001 334687059 /nfs/dbraw/zinc/68/70/59/334687059.db2.gz RVMPAGZDEIFYLZ-CYBMUJFWSA-N 1 2 265.382 1.559 20 30 CDEDLO Cc1c[nH+]c2cc(C(=O)N[C@H](C#N)C(C)C)ccn12 ZINC000577190007 335319573 /nfs/dbraw/zinc/31/95/73/335319573.db2.gz FYWBGULXKMOBEF-GFCCVEGCSA-N 1 2 256.309 1.921 20 30 CDEDLO C=CCNC(=O)Cc1noc(CCc2c[nH+]cc(C)c2)n1 ZINC000350529031 335510333 /nfs/dbraw/zinc/51/03/33/335510333.db2.gz YGFBTXPXZYILEL-UHFFFAOYSA-N 1 2 286.335 1.403 20 30 CDEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)C2(CC)CCCC2)C1 ZINC001754777147 1159453454 /nfs/dbraw/zinc/45/34/54/1159453454.db2.gz LSVLADOXCQSYJU-UHFFFAOYSA-N 1 2 280.412 1.696 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[N@H+](Cc2cncs2)CC1 ZINC000980850441 1159778176 /nfs/dbraw/zinc/77/81/76/1159778176.db2.gz UEDPQJYSCPXWTR-LLVKDONJSA-N 1 2 278.381 1.337 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[N@@H+](Cc2cncs2)CC1 ZINC000980850441 1159778180 /nfs/dbraw/zinc/77/81/80/1159778180.db2.gz UEDPQJYSCPXWTR-LLVKDONJSA-N 1 2 278.381 1.337 20 30 CDEDLO COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC=CC1 ZINC001752532436 1159821862 /nfs/dbraw/zinc/82/18/62/1159821862.db2.gz PZQVUNWVKJYOKD-IYBDPMFKSA-N 1 2 288.391 1.278 20 30 CDEDLO COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC=CC1 ZINC001752532436 1159821871 /nfs/dbraw/zinc/82/18/71/1159821871.db2.gz PZQVUNWVKJYOKD-IYBDPMFKSA-N 1 2 288.391 1.278 20 30 CDEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCCC#N)C1 ZINC000426431894 1159970647 /nfs/dbraw/zinc/97/06/47/1159970647.db2.gz VGMLDRHYGJHGED-NSHDSACASA-N 1 2 261.329 1.223 20 30 CDEDLO CC(C)CN(CCC#N)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001361851814 1159999435 /nfs/dbraw/zinc/99/94/35/1159999435.db2.gz LJNXMJNEDAEBBS-CYBMUJFWSA-N 1 2 274.368 1.844 20 30 CDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2snnc2C)[C@H]1C ZINC001088464302 1160433698 /nfs/dbraw/zinc/43/36/98/1160433698.db2.gz PWQOUAVQNLDTRN-MNOVXSKESA-N 1 2 278.381 1.062 20 30 CDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2snnc2C)[C@H]1C ZINC001088464302 1160433704 /nfs/dbraw/zinc/43/37/04/1160433704.db2.gz PWQOUAVQNLDTRN-MNOVXSKESA-N 1 2 278.381 1.062 20 30 CDEDLO C=C[C@](C)(O)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000668794629 482325886 /nfs/dbraw/zinc/32/58/86/482325886.db2.gz MTFBCJJQQDELRK-WFASDCNBSA-N 1 2 298.333 1.621 20 30 CDEDLO COCC#CC[N@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000677132814 482542906 /nfs/dbraw/zinc/54/29/06/482542906.db2.gz SSDDMVDNQQZNPT-CYBMUJFWSA-N 1 2 295.404 1.733 20 30 CDEDLO COCC#CC[N@@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000677132814 482542914 /nfs/dbraw/zinc/54/29/14/482542914.db2.gz SSDDMVDNQQZNPT-CYBMUJFWSA-N 1 2 295.404 1.733 20 30 CDEDLO C#CC[N@H+]1CCCN(C(=O)c2ncoc2C2CC2)CC1 ZINC000989414422 1160686484 /nfs/dbraw/zinc/68/64/84/1160686484.db2.gz RVIWZULIXOQIDM-UHFFFAOYSA-N 1 2 273.336 1.333 20 30 CDEDLO C#CC[N@@H+]1CCCN(C(=O)c2ncoc2C2CC2)CC1 ZINC000989414422 1160686488 /nfs/dbraw/zinc/68/64/88/1160686488.db2.gz RVIWZULIXOQIDM-UHFFFAOYSA-N 1 2 273.336 1.333 20 30 CDEDLO C=CC[NH+]1CC(NC(=O)Cc2cccc(CC)c2)C1 ZINC001030543377 1161025251 /nfs/dbraw/zinc/02/52/51/1161025251.db2.gz SYTARBCFVRICCN-UHFFFAOYSA-N 1 2 258.365 1.778 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)c3nnc[nH]3)CCC[C@@H]12 ZINC000992334202 1161091038 /nfs/dbraw/zinc/09/10/38/1161091038.db2.gz UPVBXOYZEWYSTA-MFKMUULPSA-N 1 2 295.774 1.284 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)c3nnc[nH]3)CCC[C@@H]12 ZINC000992334202 1161091047 /nfs/dbraw/zinc/09/10/47/1161091047.db2.gz UPVBXOYZEWYSTA-MFKMUULPSA-N 1 2 295.774 1.284 20 30 CDEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cccn1C ZINC001715512026 1179687949 /nfs/dbraw/zinc/68/79/49/1179687949.db2.gz DYXZCQIOOPAQSF-UHFFFAOYSA-N 1 2 269.776 1.781 20 30 CDEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cccn1C ZINC001715512026 1179687953 /nfs/dbraw/zinc/68/79/53/1179687953.db2.gz DYXZCQIOOPAQSF-UHFFFAOYSA-N 1 2 269.776 1.781 20 30 CDEDLO COC(=O)C[C@H]1CSCC[N@@H+]1CC1(C#N)CC1 ZINC000331485506 533739226 /nfs/dbraw/zinc/73/92/26/533739226.db2.gz XRYQJLFGZUHKRY-JTQLQIEISA-N 1 2 254.355 1.271 20 30 CDEDLO COC(=O)C[C@H]1CSCC[N@H+]1CC1(C#N)CC1 ZINC000331485506 533739231 /nfs/dbraw/zinc/73/92/31/533739231.db2.gz XRYQJLFGZUHKRY-JTQLQIEISA-N 1 2 254.355 1.271 20 30 CDEDLO C#CCCCC(=O)N[C@@H](C)[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001113010383 1162069272 /nfs/dbraw/zinc/06/92/72/1162069272.db2.gz YHHSGZIMOJOTJG-RYUDHWBXSA-N 1 2 274.368 1.894 20 30 CDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000049443104 518249764 /nfs/dbraw/zinc/24/97/64/518249764.db2.gz CXVLUOXUHXLDHX-UHFFFAOYSA-N 1 2 296.367 1.155 20 30 CDEDLO C#CCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067645526 518280083 /nfs/dbraw/zinc/28/00/83/518280083.db2.gz IOBVKTXYAOUZCG-UHFFFAOYSA-N 1 2 272.283 1.444 20 30 CDEDLO C=CCCCC(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001113283097 1162144824 /nfs/dbraw/zinc/14/48/24/1162144824.db2.gz AJGXJHNDTUBAJA-UHFFFAOYSA-N 1 2 280.412 1.914 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000069069477 518905722 /nfs/dbraw/zinc/90/57/22/518905722.db2.gz BHDBGKQZWNWFTB-SNVBAGLBSA-N 1 2 265.313 1.284 20 30 CDEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@H](C)c1ccco1 ZINC000069069477 518905727 /nfs/dbraw/zinc/90/57/27/518905727.db2.gz BHDBGKQZWNWFTB-SNVBAGLBSA-N 1 2 265.313 1.284 20 30 CDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc2n(n1)CCCO2 ZINC000330310937 534718572 /nfs/dbraw/zinc/71/85/72/534718572.db2.gz VJUYPXRHVULHNJ-UHFFFAOYSA-N 1 2 261.285 1.202 20 30 CDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc(C#N)cc1 ZINC000070159062 524784812 /nfs/dbraw/zinc/78/48/12/524784812.db2.gz VFUQULRNIOPZHZ-GFCCVEGCSA-N 1 2 268.320 1.502 20 30 CDEDLO C=C(C)C[N@H+](Cc1ccccc1)[C@H](C(=O)OC)[C@@H](C)O ZINC000351955615 526569463 /nfs/dbraw/zinc/56/94/63/526569463.db2.gz CSSWHBQGRZPLFZ-HIFRSBDPSA-N 1 2 277.364 1.987 20 30 CDEDLO C=C(C)C[N@@H+](Cc1ccccc1)[C@H](C(=O)OC)[C@@H](C)O ZINC000351955615 526569466 /nfs/dbraw/zinc/56/94/66/526569466.db2.gz CSSWHBQGRZPLFZ-HIFRSBDPSA-N 1 2 277.364 1.987 20 30 CDEDLO CC(C)(C)[C@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)CCO1 ZINC000347195793 526736505 /nfs/dbraw/zinc/73/65/05/526736505.db2.gz HPBLSLQNUALWGM-GFCCVEGCSA-N 1 2 279.384 1.296 20 30 CDEDLO CC(C)(C)[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)CCO1 ZINC000347195793 526736513 /nfs/dbraw/zinc/73/65/13/526736513.db2.gz HPBLSLQNUALWGM-GFCCVEGCSA-N 1 2 279.384 1.296 20 30 CDEDLO CC1(CNC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCOCC1 ZINC000330200738 527900446 /nfs/dbraw/zinc/90/04/46/527900446.db2.gz WWJACLDKBOEGKY-GFCCVEGCSA-N 1 2 292.383 1.518 20 30 CDEDLO CC1(C[NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CCOCC1 ZINC000330200738 527900451 /nfs/dbraw/zinc/90/04/51/527900451.db2.gz WWJACLDKBOEGKY-GFCCVEGCSA-N 1 2 292.383 1.518 20 30 CDEDLO COc1cc(C[N@@H+]2CCO[C@H](CF)C2)ccc1C#N ZINC000414473891 536764471 /nfs/dbraw/zinc/76/44/71/536764471.db2.gz WPIDDSODMHRZDE-CYBMUJFWSA-N 1 2 264.300 1.737 20 30 CDEDLO COc1cc(C[N@H+]2CCO[C@H](CF)C2)ccc1C#N ZINC000414473891 536764474 /nfs/dbraw/zinc/76/44/74/536764474.db2.gz WPIDDSODMHRZDE-CYBMUJFWSA-N 1 2 264.300 1.737 20 30 CDEDLO C[C@H](CC#N)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000735963815 575540370 /nfs/dbraw/zinc/54/03/70/575540370.db2.gz NSPDPJILXIJAKY-MRVPVSSYSA-N 1 2 260.276 1.398 20 30 CDEDLO C=C(C)CNC(=S)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000753674882 574912767 /nfs/dbraw/zinc/91/27/67/574912767.db2.gz HUMHAGUEVSBSKP-GFCCVEGCSA-N 1 2 276.409 1.701 20 30 CDEDLO C#CC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000753951994 574985111 /nfs/dbraw/zinc/98/51/11/574985111.db2.gz CRSKWQWTBGBMLQ-SNVBAGLBSA-N 1 2 263.366 1.947 20 30 CDEDLO C#CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000753951994 574985113 /nfs/dbraw/zinc/98/51/13/574985113.db2.gz CRSKWQWTBGBMLQ-SNVBAGLBSA-N 1 2 263.366 1.947 20 30 CDEDLO C#CCOc1ccc(NC(=O)NCc2[nH+]ccn2C)cc1 ZINC000731113291 575034467 /nfs/dbraw/zinc/03/44/67/575034467.db2.gz OHDLNZMDPWVEKW-UHFFFAOYSA-N 1 2 284.319 1.754 20 30 CDEDLO C[C@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)CCN1C ZINC000731360530 575045761 /nfs/dbraw/zinc/04/57/61/575045761.db2.gz GWXAMKHPDRAAEM-NSHDSACASA-N 1 2 292.408 1.584 20 30 CDEDLO C[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)CCN1C ZINC000731360530 575045764 /nfs/dbraw/zinc/04/57/64/575045764.db2.gz GWXAMKHPDRAAEM-NSHDSACASA-N 1 2 292.408 1.584 20 30 CDEDLO CON=Cc1ccc(C(=O)N(C)Cc2[nH]cc[nH+]2)cc1 ZINC000732095731 575079497 /nfs/dbraw/zinc/07/94/97/575079497.db2.gz XLDGFCRDPSNUPB-UHFFFAOYSA-N 1 2 272.308 1.662 20 30 CDEDLO C[C@H]1CC(=NNS(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000764700983 575935530 /nfs/dbraw/zinc/93/55/30/575935530.db2.gz VEQQTZZYWZRMRT-NSHDSACASA-N 1 2 281.381 1.186 20 30 CDEDLO C[C@H]1CC(=NNS(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC000764700983 575935532 /nfs/dbraw/zinc/93/55/32/575935532.db2.gz VEQQTZZYWZRMRT-NSHDSACASA-N 1 2 281.381 1.186 20 30 CDEDLO Cc1ncc(C=NNc2ccc(-n3cc[nH+]c3)nn2)s1 ZINC000761847626 576597337 /nfs/dbraw/zinc/59/73/37/576597337.db2.gz SMAQBWQCRQRJAZ-UHFFFAOYSA-N 1 2 285.336 1.873 20 30 CDEDLO C[N@H+](Cc1cccc(C#N)c1F)[C@@H]1CCCCNC1=O ZINC000774597058 575218586 /nfs/dbraw/zinc/21/85/86/575218586.db2.gz OGRSSEGYIWYWGB-CYBMUJFWSA-N 1 2 275.327 1.798 20 30 CDEDLO C[N@@H+](Cc1cccc(C#N)c1F)[C@@H]1CCCCNC1=O ZINC000774597058 575218587 /nfs/dbraw/zinc/21/85/87/575218587.db2.gz OGRSSEGYIWYWGB-CYBMUJFWSA-N 1 2 275.327 1.798 20 30 CDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCc2nc(C)ncc21 ZINC000734822039 575385901 /nfs/dbraw/zinc/38/59/01/575385901.db2.gz QJNJPHSQQXMHDR-CVEARBPZSA-N 1 2 298.390 1.376 20 30 CDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCc2nc(C)ncc21 ZINC000734822039 575385903 /nfs/dbraw/zinc/38/59/03/575385903.db2.gz QJNJPHSQQXMHDR-CVEARBPZSA-N 1 2 298.390 1.376 20 30 CDEDLO C#CCCCCC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000773333893 575802218 /nfs/dbraw/zinc/80/22/18/575802218.db2.gz QBGVJLSUZATDMI-CYBMUJFWSA-N 1 2 252.358 1.017 20 30 CDEDLO C#CCCCCC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000773333893 575802219 /nfs/dbraw/zinc/80/22/19/575802219.db2.gz QBGVJLSUZATDMI-CYBMUJFWSA-N 1 2 252.358 1.017 20 30 CDEDLO C=C(Cl)CNC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000773996542 575847484 /nfs/dbraw/zinc/84/74/84/575847484.db2.gz ZLODGEBKJSVTIP-NEPJUHHUSA-N 1 2 274.792 1.745 20 30 CDEDLO C=C(Cl)CNC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000773996542 575847485 /nfs/dbraw/zinc/84/74/85/575847485.db2.gz ZLODGEBKJSVTIP-NEPJUHHUSA-N 1 2 274.792 1.745 20 30 CDEDLO C=CC[N@H+](CCC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000767427251 576192335 /nfs/dbraw/zinc/19/23/35/576192335.db2.gz XMNHNSMEVBMKDS-GFCCVEGCSA-N 1 2 271.382 1.031 20 30 CDEDLO C=CC[N@@H+](CCC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000767427251 576192336 /nfs/dbraw/zinc/19/23/36/576192336.db2.gz XMNHNSMEVBMKDS-GFCCVEGCSA-N 1 2 271.382 1.031 20 30 CDEDLO C=C(C)[C@H](CC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)OCC ZINC000767577642 576206618 /nfs/dbraw/zinc/20/66/18/576206618.db2.gz DNDKETKUEIBBPW-ZNMIVQPWSA-N 1 2 297.395 1.764 20 30 CDEDLO C=C(C)[C@H](CC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)OCC ZINC000767577642 576206619 /nfs/dbraw/zinc/20/66/19/576206619.db2.gz DNDKETKUEIBBPW-ZNMIVQPWSA-N 1 2 297.395 1.764 20 30 CDEDLO Cc1ccc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)cn1 ZINC000761839406 576596749 /nfs/dbraw/zinc/59/67/49/576596749.db2.gz SQVYVOCUFIPVQB-UHFFFAOYSA-N 1 2 279.307 1.812 20 30 CDEDLO CC(C)n1cc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)cn1 ZINC000761861171 576599226 /nfs/dbraw/zinc/59/92/26/576599226.db2.gz WJKNETDPIJYVSN-UHFFFAOYSA-N 1 2 296.338 1.886 20 30 CDEDLO C#CC[NH+]1CCN(C(=O)c2cccc(C(C)C)n2)CC1 ZINC000762216137 576630416 /nfs/dbraw/zinc/63/04/16/576630416.db2.gz RYGOLAAFFGGLMY-UHFFFAOYSA-N 1 2 271.364 1.596 20 30 CDEDLO CCN(CC)c1ccnc(N=NCc2[nH]cc[nH+]2)n1 ZINC000762609000 576658518 /nfs/dbraw/zinc/65/85/18/576658518.db2.gz ZFASUUUROJUMED-UHFFFAOYSA-N 1 2 259.317 1.492 20 30 CDEDLO C=CC[N@@H+](CC(=O)OCC)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763678390 576747654 /nfs/dbraw/zinc/74/76/54/576747654.db2.gz YQXIXBVDKIXEFJ-LLVKDONJSA-N 1 2 267.325 1.133 20 30 CDEDLO C=CC[N@H+](CC(=O)OCC)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763678390 576747656 /nfs/dbraw/zinc/74/76/56/576747656.db2.gz YQXIXBVDKIXEFJ-LLVKDONJSA-N 1 2 267.325 1.133 20 30 CDEDLO FC(F)(F)CNC(=S)NN=C1C[NH+]2CCC1CC2 ZINC000746497141 576779588 /nfs/dbraw/zinc/77/95/88/576779588.db2.gz ZGEFCAKYCJPXRC-UHFFFAOYSA-N 1 2 280.319 1.094 20 30 CDEDLO COCC#CC[N@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000753863273 576863345 /nfs/dbraw/zinc/86/33/45/576863345.db2.gz PJBSZYZHEDRGDA-CYBMUJFWSA-N 1 2 291.347 1.203 20 30 CDEDLO COCC#CC[N@@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000753863273 576863346 /nfs/dbraw/zinc/86/33/46/576863346.db2.gz PJBSZYZHEDRGDA-CYBMUJFWSA-N 1 2 291.347 1.203 20 30 CDEDLO C#CC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000753953567 576869143 /nfs/dbraw/zinc/86/91/43/576869143.db2.gz BREYBSLSNYQHJN-HNNXBMFYSA-N 1 2 272.348 1.118 20 30 CDEDLO CNC(=S)N[NH+]=C(C)c1ccc(N2CCCC2)cc1O ZINC000748246037 576903120 /nfs/dbraw/zinc/90/31/20/576903120.db2.gz HUGXVTZPUBIRCW-UHFFFAOYSA-N 1 2 292.408 1.810 20 30 CDEDLO CC[N@H+](CCC(F)(F)F)CC(=O)NCCC#N ZINC000748306610 576904465 /nfs/dbraw/zinc/90/44/65/576904465.db2.gz WYIJGSUUJCELFO-UHFFFAOYSA-N 1 2 251.252 1.291 20 30 CDEDLO CC[N@@H+](CCC(F)(F)F)CC(=O)NCCC#N ZINC000748306610 576904467 /nfs/dbraw/zinc/90/44/67/576904467.db2.gz WYIJGSUUJCELFO-UHFFFAOYSA-N 1 2 251.252 1.291 20 30 CDEDLO C#CCNC(=O)C[NH2+][C@H](C)c1csc(CC)n1 ZINC000754787116 576915607 /nfs/dbraw/zinc/91/56/07/576915607.db2.gz KELGETKMTUZBIU-SECBINFHSA-N 1 2 251.355 1.106 20 30 CDEDLO C[C@H]1CC[N@H+](Cn2cccc(C#N)c2=O)CCS1 ZINC000754873401 576920414 /nfs/dbraw/zinc/92/04/14/576920414.db2.gz RKZFNFNQRMCUDI-NSHDSACASA-N 1 2 263.366 1.505 20 30 CDEDLO C[C@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)CCS1 ZINC000754873401 576920416 /nfs/dbraw/zinc/92/04/16/576920416.db2.gz RKZFNFNQRMCUDI-NSHDSACASA-N 1 2 263.366 1.505 20 30 CDEDLO Cc1ncc(CO)c(/C=[NH+]\CCCNC(=O)C(C)C)c1O ZINC000755377107 576942128 /nfs/dbraw/zinc/94/21/28/576942128.db2.gz WWBQTAHZZQVHIX-PXNMLYILSA-N 1 2 293.367 1.169 20 30 CDEDLO COc1cccc(C[N@H+](C)Cn2cccc(C#N)c2=O)c1 ZINC000758180681 577077758 /nfs/dbraw/zinc/07/77/58/577077758.db2.gz FNXMYOHHJZGMAN-UHFFFAOYSA-N 1 2 283.331 1.818 20 30 CDEDLO COc1cccc(C[N@@H+](C)Cn2cccc(C#N)c2=O)c1 ZINC000758180681 577077760 /nfs/dbraw/zinc/07/77/60/577077760.db2.gz FNXMYOHHJZGMAN-UHFFFAOYSA-N 1 2 283.331 1.818 20 30 CDEDLO Cc1ccn(C[N@H+](C)C[C@H]2CCCCO2)c(=O)c1C#N ZINC000758196400 577080208 /nfs/dbraw/zinc/08/02/08/577080208.db2.gz CPKXJUXOHJJRJE-CYBMUJFWSA-N 1 2 275.352 1.487 20 30 CDEDLO Cc1ccn(C[N@@H+](C)C[C@H]2CCCCO2)c(=O)c1C#N ZINC000758196400 577080209 /nfs/dbraw/zinc/08/02/09/577080209.db2.gz CPKXJUXOHJJRJE-CYBMUJFWSA-N 1 2 275.352 1.487 20 30 CDEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cn1cccc(C#N)c1=O ZINC000758208170 577082362 /nfs/dbraw/zinc/08/23/62/577082362.db2.gz VZRJDFRIYFEVEY-UHFFFAOYSA-N 1 2 278.315 1.681 20 30 CDEDLO C[N@H+](Cc1ccc(C#N)cc1)Cn1cccc(C#N)c1=O ZINC000758208170 577082364 /nfs/dbraw/zinc/08/23/64/577082364.db2.gz VZRJDFRIYFEVEY-UHFFFAOYSA-N 1 2 278.315 1.681 20 30 CDEDLO Cc1ncsc1C[N@H+](C)Cn1ccc(C)c(C#N)c1=O ZINC000758221438 577084972 /nfs/dbraw/zinc/08/49/72/577084972.db2.gz DUXGEWDUQQJQRE-UHFFFAOYSA-N 1 2 288.376 1.883 20 30 CDEDLO Cc1ncsc1C[N@@H+](C)Cn1ccc(C)c(C#N)c1=O ZINC000758221438 577084973 /nfs/dbraw/zinc/08/49/73/577084973.db2.gz DUXGEWDUQQJQRE-UHFFFAOYSA-N 1 2 288.376 1.883 20 30 CDEDLO COCC1(C)CC[NH+](Cn2ccc(C)c(C#N)c2=O)CC1 ZINC000758248174 577090506 /nfs/dbraw/zinc/09/05/06/577090506.db2.gz LESHYRLFOVVFNO-UHFFFAOYSA-N 1 2 289.379 1.734 20 30 CDEDLO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cn1ncn(C)c1=O ZINC000758307399 577096552 /nfs/dbraw/zinc/09/65/52/577096552.db2.gz MRYVWHDWLTZXNV-UHFFFAOYSA-N 1 2 299.378 1.569 20 30 CDEDLO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cn1ncn(C)c1=O ZINC000758307399 577096553 /nfs/dbraw/zinc/09/65/53/577096553.db2.gz MRYVWHDWLTZXNV-UHFFFAOYSA-N 1 2 299.378 1.569 20 30 CDEDLO C#CC[NH+]1CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000121608178 1175225531 /nfs/dbraw/zinc/22/55/31/1175225531.db2.gz GKEHFBFJMQQYST-UHFFFAOYSA-N 1 2 269.348 1.318 20 30 CDEDLO C=CCN1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000819750650 599429367 /nfs/dbraw/zinc/42/93/67/599429367.db2.gz IIUCMCPHUGSSAJ-UHFFFAOYSA-N 1 2 288.355 1.200 20 30 CDEDLO C[N@H+](CCC#N)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821597637 607069914 /nfs/dbraw/zinc/06/99/14/607069914.db2.gz BQZCYPTZMPZGHX-UHFFFAOYSA-N 1 2 260.276 1.351 20 30 CDEDLO C[N@@H+](CCC#N)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821597637 607069915 /nfs/dbraw/zinc/06/99/15/607069915.db2.gz BQZCYPTZMPZGHX-UHFFFAOYSA-N 1 2 260.276 1.351 20 30 CDEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnn(CCC)c2)C1 ZINC000952383196 612992929 /nfs/dbraw/zinc/99/29/29/612992929.db2.gz KMYLYRMJYCMITD-UHFFFAOYSA-N 1 2 288.395 1.463 20 30 CDEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@H]3C[C@@H]3C)CC2)C1 ZINC000949463125 613210291 /nfs/dbraw/zinc/21/02/91/613210291.db2.gz KGDVCFQJQYKPRK-LSDHHAIUSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C[C@H]3C[C@@H]3C)CC2)C1 ZINC000949463125 613210292 /nfs/dbraw/zinc/21/02/92/613210292.db2.gz KGDVCFQJQYKPRK-LSDHHAIUSA-N 1 2 290.407 1.359 20 30 CDEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC3CCCC3)C2)C1 ZINC000972237415 613211104 /nfs/dbraw/zinc/21/11/04/613211104.db2.gz FQYXKRHPWLMUDV-KRWDZBQOSA-N 1 2 290.407 1.503 20 30 CDEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC3CCCC3)C2)C1 ZINC000972237415 613211106 /nfs/dbraw/zinc/21/11/06/613211106.db2.gz FQYXKRHPWLMUDV-KRWDZBQOSA-N 1 2 290.407 1.503 20 30 CDEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnc(CC)s2)C1 ZINC000968687796 613216990 /nfs/dbraw/zinc/21/69/90/613216990.db2.gz HDPPZXSPTILJMH-NEPJUHHUSA-N 1 2 291.420 1.779 20 30 CDEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnc(CC)s2)C1 ZINC000968687796 613216991 /nfs/dbraw/zinc/21/69/91/613216991.db2.gz HDPPZXSPTILJMH-NEPJUHHUSA-N 1 2 291.420 1.779 20 30 CDEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cn[nH]c1 ZINC000948895379 613279759 /nfs/dbraw/zinc/27/97/59/613279759.db2.gz ZTVOOGLHFHPNND-MRXNPFEDSA-N 1 2 294.358 1.372 20 30 CDEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cn[nH]c1 ZINC000948895379 613279760 /nfs/dbraw/zinc/27/97/60/613279760.db2.gz ZTVOOGLHFHPNND-MRXNPFEDSA-N 1 2 294.358 1.372 20 30 CDEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccncn2)C1 ZINC000956977191 613297069 /nfs/dbraw/zinc/29/70/69/613297069.db2.gz KRSPJNQOYMWCTJ-UHFFFAOYSA-N 1 2 260.341 1.199 20 30 CDEDLO C=C(C)C[NH+]1CCN(C(=O)c2n[nH]c3c2CCC3)CC1 ZINC000949063110 613322285 /nfs/dbraw/zinc/32/22/85/613322285.db2.gz NBVAWBJFKBYBNB-UHFFFAOYSA-N 1 2 274.368 1.232 20 30 CDEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CCc2ncc[nH]2)C1 ZINC000971433083 613369727 /nfs/dbraw/zinc/36/97/27/613369727.db2.gz ORLMHIJFDDAWNO-LBPRGKRZSA-N 1 2 296.802 1.628 20 30 CDEDLO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CCc2ncc[nH]2)C1 ZINC000971433083 613369728 /nfs/dbraw/zinc/36/97/28/613369728.db2.gz ORLMHIJFDDAWNO-LBPRGKRZSA-N 1 2 296.802 1.628 20 30 CDEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cn2cccn2)CC1 ZINC000980704670 613373471 /nfs/dbraw/zinc/37/34/71/613373471.db2.gz QUJGSDRJUMBSSY-UHFFFAOYSA-N 1 2 282.775 1.170 20 30 CDEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cn2cccn2)CC1 ZINC000980704670 613373472 /nfs/dbraw/zinc/37/34/72/613373472.db2.gz QUJGSDRJUMBSSY-UHFFFAOYSA-N 1 2 282.775 1.170 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)C[C@@H]1C ZINC000947483470 613377289 /nfs/dbraw/zinc/37/72/89/613377289.db2.gz CHBNFSDONDMKMD-VHSXEESVSA-N 1 2 283.763 1.140 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)C[C@@H]1C ZINC000947483470 613377290 /nfs/dbraw/zinc/37/72/90/613377290.db2.gz CHBNFSDONDMKMD-VHSXEESVSA-N 1 2 283.763 1.140 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)C[C@@H]1C ZINC000947483470 613377291 /nfs/dbraw/zinc/37/72/91/613377291.db2.gz CHBNFSDONDMKMD-VHSXEESVSA-N 1 2 283.763 1.140 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)C[C@@H]1C ZINC000947483470 613377292 /nfs/dbraw/zinc/37/72/92/613377292.db2.gz CHBNFSDONDMKMD-VHSXEESVSA-N 1 2 283.763 1.140 20 30 CDEDLO C=CC(C)(C)C(=O)N1CC[NH+](CCOC2CCC2)CC1 ZINC000949666756 613433378 /nfs/dbraw/zinc/43/33/78/613433378.db2.gz BPPLJYLGWHCDSD-UHFFFAOYSA-N 1 2 280.412 1.912 20 30 CDEDLO C=CCC[NH+]1CC(N(CC)C(=O)c2cc(CC)[nH]n2)C1 ZINC000949700568 613479718 /nfs/dbraw/zinc/47/97/18/613479718.db2.gz XHNUFAMHEUHSDR-UHFFFAOYSA-N 1 2 276.384 1.695 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)CC2CCC(OC)CC2)CC1 ZINC000957942385 613561667 /nfs/dbraw/zinc/56/16/67/613561667.db2.gz KIIHNOWWAIYFTN-UHFFFAOYSA-N 1 2 292.423 1.749 20 30 CDEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H](C)c2cnn(C)c2)CC1 ZINC000949464856 613562558 /nfs/dbraw/zinc/56/25/58/613562558.db2.gz KFCJPHXUTNEEPR-CQSZACIVSA-N 1 2 288.395 1.081 20 30 CDEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)/C=C/C3CC3)C2)C1 ZINC000972314376 613570738 /nfs/dbraw/zinc/57/07/38/613570738.db2.gz CSLJWRNMLMLNMG-DKRLNXSXSA-N 1 2 288.391 1.279 20 30 CDEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)/C=C/C3CC3)C2)C1 ZINC000972314376 613570739 /nfs/dbraw/zinc/57/07/39/613570739.db2.gz CSLJWRNMLMLNMG-DKRLNXSXSA-N 1 2 288.391 1.279 20 30 CDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC#C[C@H]1CCCCO1 ZINC000891115290 617365287 /nfs/dbraw/zinc/36/52/87/617365287.db2.gz FEBJBLLXNALOSI-TZMCWYRMSA-N 1 2 275.352 1.277 20 30 CDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC#C[C@H]1CCCCO1 ZINC000891115290 617365288 /nfs/dbraw/zinc/36/52/88/617365288.db2.gz FEBJBLLXNALOSI-TZMCWYRMSA-N 1 2 275.352 1.277 20 30 CDEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CCOC[C@@H]2C)C1 ZINC000951700737 613655472 /nfs/dbraw/zinc/65/54/72/613655472.db2.gz KBCUXLRLYJSIMO-JSGCOSHPSA-N 1 2 266.385 1.378 20 30 CDEDLO C=CC[N@@H+]1CCCN(C(=O)[C@H]2CCCc3c[nH]nc32)CC1 ZINC000981164774 613694266 /nfs/dbraw/zinc/69/42/66/613694266.db2.gz GHYNSLHZQFYZRD-AWEZNQCLSA-N 1 2 288.395 1.550 20 30 CDEDLO C=CC[N@H+]1CCCN(C(=O)[C@H]2CCCc3c[nH]nc32)CC1 ZINC000981164774 613694267 /nfs/dbraw/zinc/69/42/67/613694267.db2.gz GHYNSLHZQFYZRD-AWEZNQCLSA-N 1 2 288.395 1.550 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)c2cccnc2)CC1 ZINC000949016340 613706734 /nfs/dbraw/zinc/70/67/34/613706734.db2.gz MHCZHPVSSMWCCF-UHFFFAOYSA-N 1 2 273.380 1.689 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCc2ccccn2)CC1 ZINC000949617603 613707854 /nfs/dbraw/zinc/70/78/54/613707854.db2.gz SYAFPDQYUCPOIU-UHFFFAOYSA-N 1 2 259.353 1.344 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCn2nc(C)cc2C)CC1 ZINC000949554767 613708376 /nfs/dbraw/zinc/70/83/76/613708376.db2.gz QSRHCZAUZTULDW-UHFFFAOYSA-N 1 2 276.384 1.220 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2CC[C@H](C)O2)CC1 ZINC000950018779 613708943 /nfs/dbraw/zinc/70/89/43/613708943.db2.gz RFFHGMOMNIGKCX-STQMWFEESA-N 1 2 252.358 1.274 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)c2c(C)n[nH]c2C)CC1 ZINC000951786654 613712340 /nfs/dbraw/zinc/71/23/40/613712340.db2.gz HQLMGDVLTGKWGO-LLVKDONJSA-N 1 2 276.384 1.460 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000957791952 613716047 /nfs/dbraw/zinc/71/60/47/613716047.db2.gz YONFOMSCMNBNSV-UHFFFAOYSA-N 1 2 287.319 1.477 20 30 CDEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)F)C2)C1 ZINC000972218025 613724990 /nfs/dbraw/zinc/72/49/90/613724990.db2.gz IMCWFDQOIPSKEH-CQSZACIVSA-N 1 2 270.348 1.224 20 30 CDEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)F)C2)C1 ZINC000972218025 613724992 /nfs/dbraw/zinc/72/49/92/613724992.db2.gz IMCWFDQOIPSKEH-CQSZACIVSA-N 1 2 270.348 1.224 20 30 CDEDLO CC[C@H](CO)Nc1cc(N2CCC(C#N)CC2)nc[nH+]1 ZINC000892138016 617500923 /nfs/dbraw/zinc/50/09/23/617500923.db2.gz XAGXUGAKJUPMBS-GFCCVEGCSA-N 1 2 275.356 1.399 20 30 CDEDLO CC[C@H](CO)Nc1cc(N2CCC(C#N)CC2)[nH+]cn1 ZINC000892138016 617500925 /nfs/dbraw/zinc/50/09/25/617500925.db2.gz XAGXUGAKJUPMBS-GFCCVEGCSA-N 1 2 275.356 1.399 20 30 CDEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CO)c(Br)c1 ZINC000934013790 617844134 /nfs/dbraw/zinc/84/41/34/617844134.db2.gz BLEYZHQDDRJUQS-LLVKDONJSA-N 1 2 281.153 1.887 20 30 CDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CO)c(Br)c1 ZINC000934013790 617844135 /nfs/dbraw/zinc/84/41/35/617844135.db2.gz BLEYZHQDDRJUQS-LLVKDONJSA-N 1 2 281.153 1.887 20 30 CDEDLO CC[C@H](CO)Nc1cc(NCC2(CC#N)CC2)[nH+]cn1 ZINC000893649299 617798388 /nfs/dbraw/zinc/79/83/88/617798388.db2.gz RDEGNQGBDRANDP-LLVKDONJSA-N 1 2 275.356 1.765 20 30 CDEDLO CC[C@H](CO)Nc1cc(NCC2(CC#N)CC2)nc[nH+]1 ZINC000893649299 617798400 /nfs/dbraw/zinc/79/84/00/617798400.db2.gz RDEGNQGBDRANDP-LLVKDONJSA-N 1 2 275.356 1.765 20 30 CDEDLO Cc1cc(C#N)ccc1N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000892845540 617824688 /nfs/dbraw/zinc/82/46/88/617824688.db2.gz AGSWHJLVYHRWPJ-UHFFFAOYSA-N 1 2 286.379 1.253 20 30 CDEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894059915 618320406 /nfs/dbraw/zinc/32/04/06/618320406.db2.gz MYEQAIDETOBNSE-SECBINFHSA-N 1 2 264.281 1.763 20 30 CDEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894059915 618320418 /nfs/dbraw/zinc/32/04/18/618320418.db2.gz MYEQAIDETOBNSE-SECBINFHSA-N 1 2 264.281 1.763 20 30 CDEDLO C#CC[C@@H]1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000888173437 620809692 /nfs/dbraw/zinc/80/96/92/620809692.db2.gz KMWDRFQFYVPJDY-RBSFLKMASA-N 1 2 293.411 1.150 20 30 CDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2csc(C#N)c2)C1=O ZINC000894231717 618740184 /nfs/dbraw/zinc/74/01/84/618740184.db2.gz RZRFDVBCJBMLBZ-ZDUSSCGKSA-N 1 2 275.377 1.838 20 30 CDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2csc(C#N)c2)C1=O ZINC000894231717 618740185 /nfs/dbraw/zinc/74/01/85/618740185.db2.gz RZRFDVBCJBMLBZ-ZDUSSCGKSA-N 1 2 275.377 1.838 20 30 CDEDLO C#CC[N@H+]1CCC[C@@H](Nc2ncc(C(=O)OC)s2)C1 ZINC000895203333 619451582 /nfs/dbraw/zinc/45/15/82/619451582.db2.gz XBCXJVOZXABBFQ-SNVBAGLBSA-N 1 2 279.365 1.439 20 30 CDEDLO C#CC[N@@H+]1CCC[C@@H](Nc2ncc(C(=O)OC)s2)C1 ZINC000895203333 619451586 /nfs/dbraw/zinc/45/15/86/619451586.db2.gz XBCXJVOZXABBFQ-SNVBAGLBSA-N 1 2 279.365 1.439 20 30 CDEDLO C#Cc1cncc(-c2noc([C@H]3C[N@H+](CC)CCO3)n2)c1 ZINC000896553909 620143674 /nfs/dbraw/zinc/14/36/74/620143674.db2.gz CQPHGEYCYPBPSR-CYBMUJFWSA-N 1 2 284.319 1.506 20 30 CDEDLO C#Cc1cncc(-c2noc([C@H]3C[N@@H+](CC)CCO3)n2)c1 ZINC000896553909 620143677 /nfs/dbraw/zinc/14/36/77/620143677.db2.gz CQPHGEYCYPBPSR-CYBMUJFWSA-N 1 2 284.319 1.506 20 30 CDEDLO C=C(C)[C@H](CC(=O)N[C@@H](CC)C[NH+]1CCOCC1)OCC ZINC000928643669 620299562 /nfs/dbraw/zinc/29/95/62/620299562.db2.gz UOKJFEISCZZCAX-GJZGRUSLSA-N 1 2 298.427 1.585 20 30 CDEDLO C=C1CCC(C(=O)NCC[N@H+]2CCOC[C@H]2CC)CC1 ZINC000899194826 622089856 /nfs/dbraw/zinc/08/98/56/622089856.db2.gz KWIPVXLMALEGOP-OAHLLOKOSA-N 1 2 280.412 1.960 20 30 CDEDLO C=C1CCC(C(=O)NCC[N@@H+]2CCOC[C@H]2CC)CC1 ZINC000899194826 622089858 /nfs/dbraw/zinc/08/98/58/622089858.db2.gz KWIPVXLMALEGOP-OAHLLOKOSA-N 1 2 280.412 1.960 20 30 CDEDLO C#C[C@H](C)[N@H+](C)CN1CCN(Cc2cccc(F)c2)C1=O ZINC000902244052 624602631 /nfs/dbraw/zinc/60/26/31/624602631.db2.gz PSBJEGWZYZZKAA-ZDUSSCGKSA-N 1 2 289.354 1.974 20 30 CDEDLO C#C[C@H](C)[N@@H+](C)CN1CCN(Cc2cccc(F)c2)C1=O ZINC000902244052 624602634 /nfs/dbraw/zinc/60/26/34/624602634.db2.gz PSBJEGWZYZZKAA-ZDUSSCGKSA-N 1 2 289.354 1.974 20 30 CDEDLO C#CC[N@H+](CN1C(=O)C2(CCOCC2)[C@H]1C1CC1)C(C)C ZINC000905749165 626945038 /nfs/dbraw/zinc/94/50/38/626945038.db2.gz NLERXGAKFDJBOD-OAHLLOKOSA-N 1 2 290.407 1.705 20 30 CDEDLO C#CC[N@@H+](CN1C(=O)C2(CCOCC2)[C@H]1C1CC1)C(C)C ZINC000905749165 626945039 /nfs/dbraw/zinc/94/50/39/626945039.db2.gz NLERXGAKFDJBOD-OAHLLOKOSA-N 1 2 290.407 1.705 20 30 CDEDLO C=CC1CC[NH+](Cc2cn(CCC(C)=O)nn2)CC1 ZINC000906267037 627171436 /nfs/dbraw/zinc/17/14/36/627171436.db2.gz XVSBGTZHJRQGMR-UHFFFAOYSA-N 1 2 262.357 1.655 20 30 CDEDLO C=CCC(F)(F)C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913453458 630486768 /nfs/dbraw/zinc/48/67/68/630486768.db2.gz NLDIRYNIJXQSJY-SNVBAGLBSA-N 1 2 270.283 1.094 20 30 CDEDLO C#Cc1cccc(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000045987923 630600262 /nfs/dbraw/zinc/60/02/62/630600262.db2.gz DSRZXAICMLIKCX-ZDUSSCGKSA-N 1 2 287.363 1.510 20 30 CDEDLO CNC(=S)N[NH+]=Cc1ccccc1N1CCO[C@H](C)C1 ZINC000915934928 631875370 /nfs/dbraw/zinc/87/53/70/631875370.db2.gz HJJRODGLJDTQNZ-LLVKDONJSA-N 1 2 292.408 1.340 20 30 CDEDLO NC(Cc1ccccc1)=[NH+]OCC(=O)NCC1CC1 ZINC000154250515 632130383 /nfs/dbraw/zinc/13/03/83/632130383.db2.gz VNJUWEXVYJAWOL-UHFFFAOYSA-N 1 2 261.325 1.044 20 30 CDEDLO Cc1nc(NC2(CNC(=O)[C@H](C)C#N)CCCC2)cc[nH+]1 ZINC001104378083 1158913943 /nfs/dbraw/zinc/91/39/43/1158913943.db2.gz BGBJADBRMXJPTJ-LLVKDONJSA-N 1 2 287.367 1.786 20 30 CDEDLO Cc1cc(=O)[nH]c(N=NC2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000788409915 1162304953 /nfs/dbraw/zinc/30/49/53/1162304953.db2.gz YYIRPTMNBDLOJB-LLVKDONJSA-N 1 2 263.345 1.763 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=C)Br)C[C@H]21 ZINC001114005930 1162400226 /nfs/dbraw/zinc/40/02/26/1162400226.db2.gz VWZGBDNVDZBGMO-PJXYFTJBSA-N 1 2 299.212 1.908 20 30 CDEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=C)Br)C[C@H]21 ZINC001114005930 1162400229 /nfs/dbraw/zinc/40/02/29/1162400229.db2.gz VWZGBDNVDZBGMO-PJXYFTJBSA-N 1 2 299.212 1.908 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC001027336963 1159664143 /nfs/dbraw/zinc/66/41/43/1159664143.db2.gz WMJJWMZSVOKDFJ-OLZOCXBDSA-N 1 2 287.367 1.059 20 30 CDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC001027336963 1159664146 /nfs/dbraw/zinc/66/41/46/1159664146.db2.gz WMJJWMZSVOKDFJ-OLZOCXBDSA-N 1 2 287.367 1.059 20 30 CDEDLO CC(C)Oc1ccc(C(=O)N2CC3(CC[N@@H+]3C)C2)cc1C#N ZINC001269988021 1160082371 /nfs/dbraw/zinc/08/23/71/1160082371.db2.gz WUCKTDHDIZISIK-UHFFFAOYSA-N 1 2 299.374 1.876 20 30 CDEDLO CC(C)Oc1ccc(C(=O)N2CC3(CC[N@H+]3C)C2)cc1C#N ZINC001269988021 1160082379 /nfs/dbraw/zinc/08/23/79/1160082379.db2.gz WUCKTDHDIZISIK-UHFFFAOYSA-N 1 2 299.374 1.876 20 30 CDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001032641869 1161412469 /nfs/dbraw/zinc/41/24/69/1161412469.db2.gz MNFPUJYKJIRPFZ-BYNSBNAKSA-N 1 2 284.359 1.692 20 30 CDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001032641869 1161412473 /nfs/dbraw/zinc/41/24/73/1161412473.db2.gz MNFPUJYKJIRPFZ-BYNSBNAKSA-N 1 2 284.359 1.692 20 30 CDEDLO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2nn[nH]c21 ZINC001085613620 1161949319 /nfs/dbraw/zinc/94/93/19/1161949319.db2.gz UZGMSHGOCOHDSX-GFCCVEGCSA-N 1 2 299.378 1.680 20 30 CDEDLO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2nn[nH]c21 ZINC001085613620 1161949320 /nfs/dbraw/zinc/94/93/20/1161949320.db2.gz UZGMSHGOCOHDSX-GFCCVEGCSA-N 1 2 299.378 1.680 20 30 CDEDLO C=CC[NH+]1CCN(C(=O)CCCC(=O)NCCC)CC1 ZINC001113551084 1162219616 /nfs/dbraw/zinc/21/96/16/1162219616.db2.gz ZRKOTURODLPWFO-UHFFFAOYSA-N 1 2 281.400 1.013 20 30 CDEDLO C=C[C@@](C)(O)CC(=O)NC[C@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113582269 1162231944 /nfs/dbraw/zinc/23/19/44/1162231944.db2.gz CRFFGWRMYPOMRK-XHDPSFHLSA-N 1 2 292.383 1.053 20 30 CDEDLO C=C[C@@H](CC)CC(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001132662845 1163429093 /nfs/dbraw/zinc/42/90/93/1163429093.db2.gz KZQVJENKBXWCSA-JQWIXIFHSA-N 1 2 280.372 1.747 20 30 CDEDLO Cc1nc(N(C)[C@@H]2CCN(C(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001095117669 1164294110 /nfs/dbraw/zinc/29/41/10/1164294110.db2.gz XYJQWUDVKGRFGF-CQSZACIVSA-N 1 2 286.379 1.482 20 30 CDEDLO N#Cc1ccc(C(=O)N2CCc3[nH+]ccn3CC2)o1 ZINC001192684757 1164383455 /nfs/dbraw/zinc/38/34/55/1164383455.db2.gz CNOYBRRSONHVRV-UHFFFAOYSA-N 1 2 256.265 1.046 20 30 CDEDLO C[C@@H]1OCC[C@@H]1CO[NH+]=C(N)c1ccc(F)cc1 ZINC000871723129 1165333692 /nfs/dbraw/zinc/33/36/92/1165333692.db2.gz VBOIDFMGTBGQFB-GXSJLCMTSA-N 1 2 252.289 1.888 20 30 CDEDLO CO[C@@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CCO1 ZINC000878966806 1166277809 /nfs/dbraw/zinc/27/78/09/1166277809.db2.gz AGRGYNHGNJEFQF-HNNXBMFYSA-N 1 2 276.336 1.632 20 30 CDEDLO CO[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CCO1 ZINC000878966806 1166277817 /nfs/dbraw/zinc/27/78/17/1166277817.db2.gz AGRGYNHGNJEFQF-HNNXBMFYSA-N 1 2 276.336 1.632 20 30 CDEDLO CCC[N@@H+]1CCCC[C@H]1C(=O)[C@@H](C#N)c1nccn1C ZINC001646842212 1168186262 /nfs/dbraw/zinc/18/62/62/1168186262.db2.gz MANDLCMBUMSVDF-OLZOCXBDSA-N 1 2 274.368 1.861 20 30 CDEDLO CCC[N@H+]1CCCC[C@H]1C(=O)[C@@H](C#N)c1nccn1C ZINC001646842212 1168186268 /nfs/dbraw/zinc/18/62/68/1168186268.db2.gz MANDLCMBUMSVDF-OLZOCXBDSA-N 1 2 274.368 1.861 20 30 CDEDLO Cn1cc[nH+]c1Cc1nnc(N2CCC(C)(C#N)CC2)n1C ZINC001647664488 1169001369 /nfs/dbraw/zinc/00/13/69/1169001369.db2.gz OXEYOZXRRKIREX-UHFFFAOYSA-N 1 2 299.382 1.269 20 30 CDEDLO CC(=NNc1[nH+]ccn1C)c1cccc(-c2nn[nH]n2)c1 ZINC001588781163 1173105251 /nfs/dbraw/zinc/10/52/51/1173105251.db2.gz JBNQUYBEXNYPSI-UHFFFAOYSA-N 1 2 282.311 1.436 20 30 CDEDLO C=CC[N@H+](CCC#N)Cc1ccccc1-c1nn[nH]n1 ZINC001602852234 1175434766 /nfs/dbraw/zinc/43/47/66/1175434766.db2.gz MYFNCPJYAFZEAZ-UHFFFAOYSA-N 1 2 268.324 1.768 20 30 CDEDLO C=CC[N@@H+](CCC#N)Cc1ccccc1-c1nn[nH]n1 ZINC001602852234 1175434775 /nfs/dbraw/zinc/43/47/75/1175434775.db2.gz MYFNCPJYAFZEAZ-UHFFFAOYSA-N 1 2 268.324 1.768 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)CCC[N@H+](C)Cc1ccon1 ZINC001724844815 1181772068 /nfs/dbraw/zinc/77/20/68/1181772068.db2.gz ALPHVWBSXGEXAT-NSHDSACASA-N 1 2 264.329 1.115 20 30 CDEDLO C[C@@H](C#N)C(=O)N(C)CCC[N@@H+](C)Cc1ccon1 ZINC001724844815 1181772073 /nfs/dbraw/zinc/77/20/73/1181772073.db2.gz ALPHVWBSXGEXAT-NSHDSACASA-N 1 2 264.329 1.115 20 30 CDEDLO C=C(C)CCC(=O)NC[C@@H](C)[NH2+]Cc1cnon1 ZINC001752877426 1184946619 /nfs/dbraw/zinc/94/66/19/1184946619.db2.gz TZKBNBKKLBUAQF-SNVBAGLBSA-N 1 2 252.318 1.020 20 30 CDEDLO C=CCC(C)(C)C(=O)N(C)CC[NH2+]Cc1csnn1 ZINC001753235875 1185126949 /nfs/dbraw/zinc/12/69/49/1185126949.db2.gz PUNDRFZMORYSBX-UHFFFAOYSA-N 1 2 282.413 1.688 20 30 CDEDLO C=CCOCC[NH+]1CC(NC(=O)c2cncc(C)c2)C1 ZINC001753374110 1185174899 /nfs/dbraw/zinc/17/48/99/1185174899.db2.gz UTOQJYMTFHCMNJ-UHFFFAOYSA-N 1 2 275.352 1.007 20 30 CDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCCOC)C1 ZINC001753396651 1185185061 /nfs/dbraw/zinc/18/50/61/1185185061.db2.gz ANMGSCVSOCXQBI-UHFFFAOYSA-N 1 2 260.765 1.214 20 30 CDEDLO C#CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccnc1 ZINC001753420330 1185197327 /nfs/dbraw/zinc/19/73/27/1185197327.db2.gz STTDLRRNAVGXIW-HOTGVXAUSA-N 1 2 283.375 1.670 20 30 CDEDLO C#CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccnc1 ZINC001753420330 1185197330 /nfs/dbraw/zinc/19/73/30/1185197330.db2.gz STTDLRRNAVGXIW-HOTGVXAUSA-N 1 2 283.375 1.670 20 30 CDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)C#N)C1 ZINC001753434934 1185204481 /nfs/dbraw/zinc/20/44/81/1185204481.db2.gz ZJEUVFFRJLGVDS-MWLCHTKSSA-N 1 2 255.749 1.431 20 30 CDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)C#N)C1 ZINC001753434934 1185204490 /nfs/dbraw/zinc/20/44/90/1185204490.db2.gz ZJEUVFFRJLGVDS-MWLCHTKSSA-N 1 2 255.749 1.431 20 30 CDEDLO N#CCNC[C@@H]1CCC[C@@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001753903297 1185387554 /nfs/dbraw/zinc/38/75/54/1185387554.db2.gz XDCNJRYQTPECDK-KBPBESRZSA-N 1 2 289.383 1.061 20 30 CDEDLO C=C(C)CCC(=O)NC/C=C\C[NH2+]Cc1nnc(C)s1 ZINC001754125070 1185475508 /nfs/dbraw/zinc/47/55/08/1185475508.db2.gz AQPCIYJLSMHZBH-PLNGDYQASA-N 1 2 294.424 1.965 20 30 CDEDLO Cc1cc(C)c(C(=O)N[C@H](C)CNCC#N)c(C)[nH+]1 ZINC001754235725 1185522456 /nfs/dbraw/zinc/52/24/56/1185522456.db2.gz JWHDRJXBYRHFJI-LLVKDONJSA-N 1 2 260.341 1.238 20 30 CDEDLO C[C@H](C#N)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccns1 ZINC001755293425 1185895863 /nfs/dbraw/zinc/89/58/63/1185895863.db2.gz SNZUFIXVXPITGG-NXEZZACHSA-N 1 2 266.370 1.239 20 30 CDEDLO C[C@H](C#N)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccns1 ZINC001755293425 1185895871 /nfs/dbraw/zinc/89/58/71/1185895871.db2.gz SNZUFIXVXPITGG-NXEZZACHSA-N 1 2 266.370 1.239 20 30 CDEDLO